smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CCCCC12CC[NH2+]CC2 ZINC001164421118 718911744 /nfs/dbraw/zinc/91/17/44/718911744.db2.gz PBXRDCRSXVSOHP-UHFFFAOYSA-N 1 0 392.881 4.454 20 0 GIADRO CSc1cnc(Cl)c(C(F)(F)N2C[C@@H]3[NH2+]Cc4ccccc4[C@H]3C2)c1 ZINC001164425195 718944963 /nfs/dbraw/zinc/94/49/63/718944963.db2.gz TVEIPKRJXFAOBD-ZBFHGGJFSA-N 1 0 381.879 4.077 20 0 GIADRO FC(F)(c1cnc(Cl)c(C2CC2)c1)N1C[C@H]2[NH2+]Cc3ccccc3[C@H]2C1 ZINC001164431010 718948551 /nfs/dbraw/zinc/94/85/51/718948551.db2.gz YVDZKWKKMGDKAJ-QZTJIDSGSA-N 1 0 375.850 4.233 20 0 GIADRO Clc1ccc2c(c1)ncnc2N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164627777 719070973 /nfs/dbraw/zinc/07/09/73/719070973.db2.gz QPOCWDCAOAPMDM-UWJYYQICSA-N 1 0 378.907 4.384 20 0 GIADRO Clc1ccc2c(cnnc2N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001164626606 719080507 /nfs/dbraw/zinc/08/05/07/719080507.db2.gz OSKQEFBNGAXNQW-UWJYYQICSA-N 1 0 378.907 4.384 20 0 GIADRO c1csc(-c2cc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)ncn2)c1 ZINC001164623419 719100397 /nfs/dbraw/zinc/10/03/97/719100397.db2.gz CZBCVQIALOXRTM-AZUAARDMSA-N 1 0 376.529 4.306 20 0 GIADRO Fc1cccc(-c2ccc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)nn2)c1 ZINC001164632528 719103378 /nfs/dbraw/zinc/10/33/78/719103378.db2.gz ZQZNIDJWYKCPHE-OFNKIYASSA-N 1 0 388.490 4.384 20 0 GIADRO CSc1ccc2ncnc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)c2c1 ZINC001164630375 719110207 /nfs/dbraw/zinc/11/02/07/719110207.db2.gz VWIXXYOHBWLOHX-PGRDOPGGSA-N 1 0 390.556 4.453 20 0 GIADRO CSc1ccc2ncnc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)c2c1 ZINC001164630374 719110589 /nfs/dbraw/zinc/11/05/89/719110589.db2.gz VWIXXYOHBWLOHX-GCJKJVERSA-N 1 0 390.556 4.453 20 0 GIADRO F[C@H](c1ccnc(Cl)c1)N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164696040 719892172 /nfs/dbraw/zinc/89/21/72/719892172.db2.gz VMYZKULHZLFMHB-SFHVURJKSA-N 1 0 395.931 4.132 20 0 GIADRO Cc1cc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)nc2c(Cl)cccc12 ZINC001164726400 720417335 /nfs/dbraw/zinc/41/73/35/720417335.db2.gz BVYGNQBMEJJMCC-VQTJNVASSA-N 1 0 378.907 4.445 20 0 GIADRO Cc1c(Cl)ccc2ccc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)nc21 ZINC001164735414 720420495 /nfs/dbraw/zinc/42/04/95/720420495.db2.gz XGJVOCJJYQYCDM-UXHICEINSA-N 1 0 378.907 4.445 20 0 GIADRO Clc1cnc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c(-c2ccccc2)n1 ZINC001164735029 720453652 /nfs/dbraw/zinc/45/36/52/720453652.db2.gz VBNUVXUTUYJSTA-MOPGFXCFSA-N 1 0 391.906 4.045 20 0 GIADRO Fc1cccc2c(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)cc(Cl)nc12 ZINC001164728237 720476637 /nfs/dbraw/zinc/47/66/37/720476637.db2.gz OOQPZAORGZZQBH-MSOLQXFVSA-N 1 0 382.870 4.276 20 0 GIADRO Fc1cccc2cc(Cl)nc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c12 ZINC001164731121 720489398 /nfs/dbraw/zinc/48/93/98/720489398.db2.gz VUIDHQJQUBMLDD-ROUUACIJSA-N 1 0 382.870 4.276 20 0 GIADRO Cc1cccc2c1ccnc2N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164838525 720547872 /nfs/dbraw/zinc/54/78/72/720547872.db2.gz OGXWREKRIWFRHZ-ZRCGQRJVSA-N 1 0 389.547 4.118 20 0 GIADRO Cc1cccc2ccnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)c12 ZINC001164843156 720628780 /nfs/dbraw/zinc/62/87/80/720628780.db2.gz WZTABGTZKNPRJZ-BHDDXSALSA-N 1 0 389.547 4.118 20 0 GIADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(Cl)ncc1F)CC2 ZINC001164841865 720687156 /nfs/dbraw/zinc/68/71/56/720687156.db2.gz JPWNNJFMHURIFG-QGZVFWFLSA-N 1 0 389.902 4.134 20 0 GIADRO Cc1cccc2c(Cl)nnc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@H]3C)c12 ZINC001164857912 720957882 /nfs/dbraw/zinc/95/78/82/720957882.db2.gz IFJVTTZZOOXRKC-OAHLLOKOSA-N 1 0 398.942 4.210 20 0 GIADRO Cc1ccc(C[NH+]2CCC3(CCN(c4nc(Cl)ncc4F)CC3)CC2)cc1 ZINC001164761270 721041848 /nfs/dbraw/zinc/04/18/48/721041848.db2.gz FTNZFMCOOYZFJE-UHFFFAOYSA-N 1 0 388.918 4.460 20 0 GIADRO c1ccc([C@H]2CO[C@@]3(C2)CCCN(c2ccc(C[NH+]4CCCC4)cn2)C3)cc1 ZINC001164769654 721060860 /nfs/dbraw/zinc/06/08/60/721060860.db2.gz JSRUHJCKXGAAIU-ISKFKSNPSA-N 1 0 377.532 4.221 20 0 GIADRO c1ccc([C@H]2CO[C@]3(C2)CCCN(c2ncccc2C[NH+]2CCCC2)C3)cc1 ZINC001164774273 721061319 /nfs/dbraw/zinc/06/13/19/721061319.db2.gz VTGSCYFHDISRPU-VWNXMTODSA-N 1 0 377.532 4.221 20 0 GIADRO Cc1nc(N2CC3(C2)CC[N@H+](CC2CC2)C3)nc(C)c1Cc1ccc(Cl)cc1 ZINC001164774713 721301518 /nfs/dbraw/zinc/30/15/18/721301518.db2.gz IRTMMWJEMJABLL-UHFFFAOYSA-N 1 0 396.966 4.260 20 0 GIADRO CCc1ccccc1Oc1nc(Cl)ncc1N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001164775194 721302609 /nfs/dbraw/zinc/30/26/09/721302609.db2.gz RYHAOCHTAQITRZ-UHFFFAOYSA-N 1 0 398.938 4.407 20 0 GIADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc(-c3ccco3)nn1)CC2 ZINC001164796791 721501512 /nfs/dbraw/zinc/50/15/12/721501512.db2.gz YADFCVYNABBEOR-UHFFFAOYSA-N 1 0 389.503 4.013 20 0 GIADRO Cc1cc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc2[nH]ccc21 ZINC001164905461 721714597 /nfs/dbraw/zinc/71/45/97/721714597.db2.gz GKPQSKIWACPUJK-NRFANRHFSA-N 1 0 397.473 4.004 20 0 GIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(Cl)nc(C4CC4)n3)C[C@@H]21 ZINC001165018729 721803498 /nfs/dbraw/zinc/80/34/98/721803498.db2.gz CGEQEEKAAQTZSF-NZSAHSFTSA-N 1 0 397.954 4.139 20 0 GIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(Cl)nc(C4CC4)n3)C[C@H]21 ZINC001165018728 721803606 /nfs/dbraw/zinc/80/36/06/721803606.db2.gz CGEQEEKAAQTZSF-BHIYHBOVSA-N 1 0 397.954 4.139 20 0 GIADRO Cc1c[nH]c2nc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)ccc12 ZINC001165027202 721807373 /nfs/dbraw/zinc/80/73/73/721807373.db2.gz UFPZHCVXPRSQMV-YYWHXJBOSA-N 1 0 375.520 4.003 20 0 GIADRO CSc1cnc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c(C)c1 ZINC001165028974 721821589 /nfs/dbraw/zinc/82/15/89/721821589.db2.gz WCCVDYVWUSASRT-DZFGPLHGSA-N 1 0 382.577 4.244 20 0 GIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(-c4ccccc4)ncn3)C[C@H]21 ZINC001165029653 721823093 /nfs/dbraw/zinc/82/30/93/721823093.db2.gz XJFRDSFWDMZWTQ-KIFXHHALSA-N 1 0 399.542 4.276 20 0 GIADRO CN(CC1CC[NH+](C)CC1)C(F)(F)c1ccc(-c2cc(Cl)ncn2)cc1 ZINC001165041492 721932684 /nfs/dbraw/zinc/93/26/84/721932684.db2.gz ZUUVALJLNYXPRZ-UHFFFAOYSA-N 1 0 380.870 4.120 20 0 GIADRO Cc1sc2nc(-c3cccnc3)nc(N3CCC(C[NH+](C)C)CC3)c2c1C ZINC001165044631 721948952 /nfs/dbraw/zinc/94/89/52/721948952.db2.gz HLSCMNUKPOWRFP-UHFFFAOYSA-N 1 0 381.549 4.148 20 0 GIADRO CCOC(=O)c1c(Cl)c2ccccc2nc1N1CCC([NH+](CC)CC)CC1 ZINC001165052840 722005351 /nfs/dbraw/zinc/00/53/51/722005351.db2.gz CQUUMBJOGBPCGQ-UHFFFAOYSA-N 1 0 389.927 4.376 20 0 GIADRO Clc1cnc2nc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)ccc2c1 ZINC001164951666 722016444 /nfs/dbraw/zinc/01/64/44/722016444.db2.gz BTRXMDCNAPPWHY-UHFFFAOYSA-N 1 0 393.922 4.171 20 0 GIADRO CSc1cc(Cl)ncc1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164951690 722016602 /nfs/dbraw/zinc/01/66/02/722016602.db2.gz CEIWBSZASSFSTO-UHFFFAOYSA-N 1 0 388.968 4.344 20 0 GIADRO COc1ccc2ccc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)nc2c1 ZINC001164955698 722019348 /nfs/dbraw/zinc/01/93/48/722019348.db2.gz NRHZUKTVCOFHHZ-UHFFFAOYSA-N 1 0 388.515 4.131 20 0 GIADRO Cc1nc2ccsc2c(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164993940 722191226 /nfs/dbraw/zinc/19/12/26/722191226.db2.gz JQUPTZLJBFCNRV-NRFANRHFSA-N 1 0 382.508 4.384 20 0 GIADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2cc(Cl)nc(C4CC4)n2)C3)c1 ZINC001164993878 722193853 /nfs/dbraw/zinc/19/38/53/722193853.db2.gz IHBSFSUNJXLYAS-NRFANRHFSA-N 1 0 386.902 4.391 20 0 GIADRO Cc1nc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc2ccccc12 ZINC001164995756 722198331 /nfs/dbraw/zinc/19/83/31/722198331.db2.gz XTWGAMSCZTYONY-HSZRJFAPSA-N 1 0 376.479 4.322 20 0 GIADRO COc1cc(Cl)cc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164995710 722199100 /nfs/dbraw/zinc/19/91/00/722199100.db2.gz XAUMLRXGFUCZCM-HXUWFJFHSA-N 1 0 375.875 4.128 20 0 GIADRO Cc1cc2ncnc(N3CCC[C@@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)c2s1 ZINC001164995696 722206232 /nfs/dbraw/zinc/20/62/32/722206232.db2.gz PLDVQOIJJHJMET-OAQYLSRUSA-N 1 0 382.508 4.384 20 0 GIADRO CN(C)c1cc(Cl)cc(Cl)c1C[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000570487954 823045016 /nfs/dbraw/zinc/04/50/16/823045016.db2.gz DNZVNVARNYKCPT-UHFFFAOYSA-N 1 0 393.362 4.209 20 0 GIADRO Cc1cc(C)cc(C[C@H](C)NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000458489464 823046969 /nfs/dbraw/zinc/04/69/69/823046969.db2.gz XBYBHSKGSJEIDC-KRWDZBQOSA-N 1 0 399.501 4.293 20 0 GIADRO Cc1cc(C)cc(OC[C@@H](O)C[NH+]2CCC(OCC3CCCCC3)CC2)c1 ZINC000570508885 823047882 /nfs/dbraw/zinc/04/78/82/823047882.db2.gz BSOKAYHEMOMAPN-NRFANRHFSA-N 1 0 375.553 4.104 20 0 GIADRO C[NH+]1CCC(Nc2ccccc2NC(=O)CO[C@@H]2CCCc3ccccc32)CC1 ZINC000570508151 823047973 /nfs/dbraw/zinc/04/79/73/823047973.db2.gz PSXSDQPADSZAMT-HSZRJFAPSA-N 1 0 393.531 4.225 20 0 GIADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](Sc3ccc(F)cc3)c3ccccc3)C2)C1 ZINC000570522298 823049486 /nfs/dbraw/zinc/04/94/86/823049486.db2.gz ZHEPKRWGKQZDGJ-IFMALSPDSA-N 1 0 384.520 4.213 20 0 GIADRO COc1c(Br)cccc1C[NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000187363456 823050114 /nfs/dbraw/zinc/05/01/14/823050114.db2.gz JUAAMERKAUHKJV-SJLPKXTDSA-N 1 0 376.294 4.468 20 0 GIADRO CCCC[N@H+](CC)Cc1cccc(CNC(=O)N[C@@H]2C[C@H](C)n3ccnc32)c1 ZINC000458536502 823052347 /nfs/dbraw/zinc/05/23/47/823052347.db2.gz GMOMWOAUAJHZLI-FXAWDEMLSA-N 1 0 383.540 4.010 20 0 GIADRO CCn1ccnc1[C@H](C)NC(=O)NC[C@@H](CC(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000458538597 823052676 /nfs/dbraw/zinc/05/26/76/823052676.db2.gz AJDZATYRWAPBNI-WSTZPKSXSA-N 1 0 385.556 4.029 20 0 GIADRO Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000120722719 823052661 /nfs/dbraw/zinc/05/26/61/823052661.db2.gz XWBMTBDZWITUKG-GFCCVEGCSA-N 1 0 396.318 4.419 20 0 GIADRO C[N@H+](CCC1CCOCC1)Cc1coc(-c2ccc(Br)cc2)n1 ZINC000120725787 823053328 /nfs/dbraw/zinc/05/33/28/823053328.db2.gz ZGBMLZGAGMSIOX-UHFFFAOYSA-N 1 0 379.298 4.353 20 0 GIADRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc(C(F)(F)F)s2)cc1 ZINC000570552200 823053393 /nfs/dbraw/zinc/05/33/93/823053393.db2.gz OJTVFKWIXZYOQX-LLVKDONJSA-N 1 0 377.453 4.411 20 0 GIADRO CC[NH+](CC)CCOc1cc(NC(=O)c2ccc(Cl)nc2C)ccc1OC ZINC000120728989 823053847 /nfs/dbraw/zinc/05/38/47/823053847.db2.gz NAWXIRFBMPVGOU-UHFFFAOYSA-N 1 0 391.899 4.025 20 0 GIADRO Cc1csc([C@H](NC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)C2CC2)n1 ZINC000175848370 823054481 /nfs/dbraw/zinc/05/44/81/823054481.db2.gz CGNRMLPAWYHSNY-JENIJYKNSA-N 1 0 390.597 4.199 20 0 GIADRO O=C(N[C@H]1CCCC(F)(F)C1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000458550190 823054563 /nfs/dbraw/zinc/05/45/63/823054563.db2.gz DFXHUCILIPNLKO-IBGZPJMESA-N 1 0 391.506 4.262 20 0 GIADRO CCC(CC)c1cc(C(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)on1 ZINC000120749914 823056795 /nfs/dbraw/zinc/05/67/95/823056795.db2.gz KYXRNFWUHYHZCM-QGZVFWFLSA-N 1 0 399.535 4.208 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[C@](F)(c3ccccc3)C2)CC1 ZINC000570584611 823057500 /nfs/dbraw/zinc/05/75/00/823057500.db2.gz KDLWIVSUUVKIBZ-YADARESESA-N 1 0 395.522 4.492 20 0 GIADRO COc1cccc2c1CCC[C@@H]2[NH2+]Cc1cc(Cl)ccc1N1CCOCC1 ZINC000570586694 823057909 /nfs/dbraw/zinc/05/79/09/823057909.db2.gz ZHOJGGZQBSXALZ-FQEVSTJZSA-N 1 0 386.923 4.352 20 0 GIADRO CC[C@H]([NH2+]Cc1cc(Br)cc(Br)c1N)c1ccncc1 ZINC000187410228 823058060 /nfs/dbraw/zinc/05/80/60/823058060.db2.gz FVCMDKPHRZCZBT-AWEZNQCLSA-N 1 0 399.130 4.430 20 0 GIADRO C[C@H]([NH2+]CC1(c2ccccc2Cl)CCCCC1)C1CCS(=O)(=O)CC1 ZINC000187414873 823059016 /nfs/dbraw/zinc/05/90/16/823059016.db2.gz QVQRJZFOPNTRHS-INIZCTEOSA-N 1 0 383.985 4.345 20 0 GIADRO CC(C)[C@H]1N(C(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)CC12CCCC2 ZINC000458584325 823059793 /nfs/dbraw/zinc/05/97/93/823059793.db2.gz UNFXJCFXADHSHZ-WIYYLYMNSA-N 1 0 384.568 4.217 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N1CC2(CCC2)[C@H]1c1ccccc1 ZINC000458611734 823063226 /nfs/dbraw/zinc/06/32/26/823063226.db2.gz NJPZWUVPZIUDBH-JOCHJYFZSA-N 1 0 390.531 4.235 20 0 GIADRO CCc1ncsc1C(=O)N(c1cccc(SC)c1)C1CC[NH+](C)CC1 ZINC000120771675 823061013 /nfs/dbraw/zinc/06/10/13/823061013.db2.gz PCEDNABKQONPRZ-UHFFFAOYSA-N 1 0 375.563 4.168 20 0 GIADRO C[N@H+](CCc1ccccn1)Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000120772458 823061221 /nfs/dbraw/zinc/06/12/21/823061221.db2.gz PFQDHVHBEDNJEI-UHFFFAOYSA-N 1 0 383.499 4.063 20 0 GIADRO CCOc1ccc(NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)cc1OC ZINC000175878530 823062244 /nfs/dbraw/zinc/06/22/44/823062244.db2.gz HKLPIDJTBPQWSH-UHFFFAOYSA-N 1 0 397.519 4.222 20 0 GIADRO O=C(N1CC[C@@H](C[NH+]2CCCCC2)C1)C1(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000187433791 823062872 /nfs/dbraw/zinc/06/28/72/823062872.db2.gz YFNIHGNUAAKQLB-SFHVURJKSA-N 1 0 394.481 4.363 20 0 GIADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](c2ccc(F)cc2F)C(C)(C)C)cc1 ZINC000120804378 823067611 /nfs/dbraw/zinc/06/76/11/823067611.db2.gz XDDQONBNMQBDQH-BFUOFWGJSA-N 1 0 396.503 4.311 20 0 GIADRO C[C@H](C[C@@H](O)c1ccco1)[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000120786782 823064023 /nfs/dbraw/zinc/06/40/23/823064023.db2.gz ZVGQDSLIGYGZBZ-TYNCELHUSA-N 1 0 385.245 4.047 20 0 GIADRO CC[C@@H](CN(CC)C(=O)NC1CC[NH+](Cc2ccncc2)CC1)c1ccccc1 ZINC000187438896 823064032 /nfs/dbraw/zinc/06/40/32/823064032.db2.gz KKIBHMLLKPIJHK-NRFANRHFSA-N 1 0 394.563 4.271 20 0 GIADRO O=C(Nc1c(F)cccc1Cl)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000570630198 823064317 /nfs/dbraw/zinc/06/43/17/823064317.db2.gz PEZPZCJATCNSBO-IRXDYDNUSA-N 1 0 387.886 4.465 20 0 GIADRO C[NH+](C)CCN(Cc1cccs1)C(=O)Nc1cccc(OC(F)(F)F)c1 ZINC000175901646 823067786 /nfs/dbraw/zinc/06/77/86/823067786.db2.gz FHUWNZOFFZDICS-UHFFFAOYSA-N 1 0 387.427 4.242 20 0 GIADRO C[NH+](C)CCOc1ccccc1CNC(=O)Nc1cccc(-c2nccs2)c1 ZINC000120796465 823065803 /nfs/dbraw/zinc/06/58/03/823065803.db2.gz QBRBORUPVSCUMZ-UHFFFAOYSA-N 1 0 396.516 4.072 20 0 GIADRO O[C@@H](C[C@@H]1CCC[N@@H+]1Cc1cnn(Cc2ccc(F)cc2)c1)c1cccs1 ZINC000187454613 823066693 /nfs/dbraw/zinc/06/66/93/823066693.db2.gz ZVOAUDSSAQFSNR-PMACEKPBSA-N 1 0 385.508 4.220 20 0 GIADRO C[C@H](NC(=O)N1CC[C@H](c2cccc(Cl)c2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000458632070 823067098 /nfs/dbraw/zinc/06/70/98/823067098.db2.gz NCYRPYCPWFANKQ-WDSOQIARSA-N 1 0 389.971 4.492 20 0 GIADRO COC[C@H](C)n1ccc(NC(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)n1 ZINC000187456538 823067141 /nfs/dbraw/zinc/06/71/41/823067141.db2.gz AMPQGQKKNDSBEZ-KRWDZBQOSA-N 1 0 399.539 4.499 20 0 GIADRO CCc1cnccc1[C@@H](C)NC(=O)NC[C@H](c1ccc(SC)cc1)[NH+](C)C ZINC000458633489 823067473 /nfs/dbraw/zinc/06/74/73/823067473.db2.gz WQFDWZWXOVIYFK-FOIQADDNSA-N 1 0 386.565 4.029 20 0 GIADRO CC(C)(C)CC[NH+]1CCN(CC(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000055936234 823068272 /nfs/dbraw/zinc/06/82/72/823068272.db2.gz ZEDPIQSAGGLWRZ-UHFFFAOYSA-N 1 0 379.548 4.346 20 0 GIADRO COc1ccc(NC(=O)[C@H]([NH2+][C@@H]2CCOC[C@@H]2C)c2ccccc2)cc1Cl ZINC000570658525 823068365 /nfs/dbraw/zinc/06/83/65/823068365.db2.gz PERLSFXVEXUUFF-BOUXLOLZSA-N 1 0 388.895 4.043 20 0 GIADRO C[C@@H](NC(=O)NC1CCC(C(F)F)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000458669615 823072448 /nfs/dbraw/zinc/07/24/48/823072448.db2.gz IAHMCJHACBQHEF-IZIZEDOESA-N 1 0 379.495 4.020 20 0 GIADRO O[C@@H](C[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1)c1ccc(F)cc1Cl ZINC000187469799 823069198 /nfs/dbraw/zinc/06/91/98/823069198.db2.gz HGHHNBZAASQZIP-WFASDCNBSA-N 1 0 391.796 4.065 20 0 GIADRO C[C@H](c1ccco1)N(C)C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000175907591 823069791 /nfs/dbraw/zinc/06/97/91/823069791.db2.gz TWJYEXSTJGQJPN-LJQANCHMSA-N 1 0 399.535 4.053 20 0 GIADRO CCCN(CC[NH+](CC)CC)C(=O)c1sc(NC(=O)c2ccco2)cc1C ZINC000120817041 823070073 /nfs/dbraw/zinc/07/00/73/823070073.db2.gz REEHIZMETKULBO-UHFFFAOYSA-N 1 0 391.537 4.096 20 0 GIADRO Cc1cccc(C)c1[C@@H](C)NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458670119 823072420 /nfs/dbraw/zinc/07/24/20/823072420.db2.gz TYSCAJAQJJUHCH-MRXNPFEDSA-N 1 0 385.474 4.423 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)Nc3ccsc3Cl)c(C)c2)CC1 ZINC000187475647 823070824 /nfs/dbraw/zinc/07/08/24/823070824.db2.gz WWWDCFDPGZYVHC-UHFFFAOYSA-N 1 0 378.929 4.496 20 0 GIADRO C[C@H](CC(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1)C1CC[NH2+]CC1 ZINC000570680102 823071354 /nfs/dbraw/zinc/07/13/54/823071354.db2.gz JFYKLZQCIZNQNZ-OAHLLOKOSA-N 1 0 382.470 4.437 20 0 GIADRO COc1cc([C@H](C)N[C@H](C[NH+]2CCCC2)c2ccccc2)cc(OC)c1OC ZINC000120828509 823072495 /nfs/dbraw/zinc/07/24/95/823072495.db2.gz JZABCVUDFWDOQS-FXAWDEMLSA-N 1 0 384.520 4.200 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)cc1OCC ZINC000120854087 823076954 /nfs/dbraw/zinc/07/69/54/823076954.db2.gz ZJAXKKZGUVFIFL-HOTGVXAUSA-N 1 0 398.503 4.364 20 0 GIADRO O[C@H](C[NH2+][C@@H]1C[C@H]1c1ccco1)COC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000570710689 823074733 /nfs/dbraw/zinc/07/47/33/823074733.db2.gz HBHYPQKZVXCLFO-NJDAHSKKSA-N 1 0 399.437 4.170 20 0 GIADRO Cc1noc(-c2ccccc2)c1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000570719240 823075460 /nfs/dbraw/zinc/07/54/60/823075460.db2.gz LZIGSDUVLVORMD-FXAWDEMLSA-N 1 0 390.487 4.435 20 0 GIADRO CC(C)[C@H](CC(F)(F)F)NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000458698663 823075655 /nfs/dbraw/zinc/07/56/55/823075655.db2.gz WJIQAZVTZTUBLN-AEFFLSMTSA-N 1 0 385.474 4.127 20 0 GIADRO COC(=O)c1ccc(-c2ccc(C[NH2+][C@H](C)c3ccc4n[nH]cc4c3)o2)cc1 ZINC000570728422 823077127 /nfs/dbraw/zinc/07/71/27/823077127.db2.gz PLNDVBOEJPWGEF-CQSZACIVSA-N 1 0 375.428 4.460 20 0 GIADRO C[C@H](NC(=O)N1CC(c2ccc(Cl)cc2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000458701347 823075925 /nfs/dbraw/zinc/07/59/25/823075925.db2.gz ZKUILWPARLCABA-PXNSSMCTSA-N 1 0 397.950 4.359 20 0 GIADRO Cc1nc(CC(C)C)c(C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)s1 ZINC000175933164 823076072 /nfs/dbraw/zinc/07/60/72/823076072.db2.gz WNVAAZDOHUWQLJ-UHFFFAOYSA-N 1 0 386.565 4.044 20 0 GIADRO CC(C)[C@@H](CC(F)(F)F)NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458703509 823076558 /nfs/dbraw/zinc/07/65/58/823076558.db2.gz ZXEDKLWTNFKEGR-CYBMUJFWSA-N 1 0 391.400 4.022 20 0 GIADRO Cc1cc(Br)cc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000187508559 823077678 /nfs/dbraw/zinc/07/76/78/823077678.db2.gz QDIDRMPTIRQWNZ-KDOFPFPSSA-N 1 0 392.341 4.238 20 0 GIADRO C[C@H](CCCC(F)(F)F)NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458717287 823077728 /nfs/dbraw/zinc/07/77/28/823077728.db2.gz UBBQDHICJWBLME-GFCCVEGCSA-N 1 0 391.400 4.166 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1cc(C)nc(N2CCCC2)c1)CC3 ZINC000570733469 823077908 /nfs/dbraw/zinc/07/79/08/823077908.db2.gz NJJZWIGPRPQUTO-GOSISDBHSA-N 1 0 390.531 4.127 20 0 GIADRO C=Cn1cc(C[NH2+]C[C@H]2CCCN(C)[C@H]2c2ccc(C(F)(F)F)cc2)cn1 ZINC000570734154 823078183 /nfs/dbraw/zinc/07/81/83/823078183.db2.gz PNBZDNXWVUUYFL-MJGOQNOKSA-N 1 0 378.442 4.175 20 0 GIADRO Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)c3cccc(C[NH+](C)C)c3)cc2)n1 ZINC000175943664 823078326 /nfs/dbraw/zinc/07/83/26/823078326.db2.gz JRXFBVRYMSYAGZ-SFHVURJKSA-N 1 0 376.504 4.042 20 0 GIADRO Cc1cccnc1[C@@H]([NH2+][C@@H](C)C(=O)Nc1nc2ccc(F)cc2s1)C(C)C ZINC000120881696 823081528 /nfs/dbraw/zinc/08/15/28/823081528.db2.gz WKYATRVELXHDFR-GUYCJALGSA-N 1 0 386.496 4.453 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(C(F)(F)F)ccc1F ZINC000120860360 823078470 /nfs/dbraw/zinc/07/84/70/823078470.db2.gz NGYGAWAVZORMRY-INIZCTEOSA-N 1 0 394.412 4.439 20 0 GIADRO Cc1ccc(-c2ccc(C[NH2+]Cc3cccc(OCC(=O)N(C)C)c3)o2)cc1 ZINC000120859776 823078512 /nfs/dbraw/zinc/07/85/12/823078512.db2.gz QXTKPLXVLFIHKK-UHFFFAOYSA-N 1 0 378.472 4.012 20 0 GIADRO CC[C@@H](C(=O)N1CCCn2c(cc3ccccc32)C1)[N@H+](C)Cc1ccccc1 ZINC000570735771 823078530 /nfs/dbraw/zinc/07/85/30/823078530.db2.gz DBPONFPDCHZKSJ-QFIPXVFZSA-N 1 0 375.516 4.284 20 0 GIADRO Cn1cc([C@@H]2C[N@@H+]([C@@H](C(=O)Nc3ccccc3)c3ccccc3)CC2(C)C)cn1 ZINC000570735895 823078665 /nfs/dbraw/zinc/07/86/65/823078665.db2.gz AGCMLIJUDIXPGR-FCHUYYIVSA-N 1 0 388.515 4.226 20 0 GIADRO COc1ccc([C@H](C)N[C@H](C[NH+]2CCCC2)c2ccccc2)cc1NC(C)=O ZINC000120861562 823078693 /nfs/dbraw/zinc/07/86/93/823078693.db2.gz QAAQARNOGBEMCX-HTAPYJJXSA-N 1 0 381.520 4.141 20 0 GIADRO C[C@@H](CSc1ccccc1)C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000120867257 823079668 /nfs/dbraw/zinc/07/96/68/823079668.db2.gz SUUBDIFBYBDPJY-SFHVURJKSA-N 1 0 398.572 4.258 20 0 GIADRO CC(C)n1ncc2cc(C[N@@H+]3CC[C@H](OCCCc4ccccc4)C3)cnc21 ZINC000175950703 823080475 /nfs/dbraw/zinc/08/04/75/823080475.db2.gz CULLMGQTSQCJDK-QFIPXVFZSA-N 1 0 378.520 4.236 20 0 GIADRO CCNC(=O)C(C)(C)C[NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000120876128 823080968 /nfs/dbraw/zinc/08/09/68/823080968.db2.gz WIWXNOFSHJMNGU-UHFFFAOYSA-N 1 0 385.455 4.081 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000056041942 823081215 /nfs/dbraw/zinc/08/12/15/823081215.db2.gz QZDDATJSKAUYBR-UHFFFAOYSA-N 1 0 391.515 4.316 20 0 GIADRO COC(=O)c1ccccc1-c1ccc(C[NH2+]Cc2ccc(C(C)(C)O)cc2)o1 ZINC000187524718 823081433 /nfs/dbraw/zinc/08/14/33/823081433.db2.gz GMSRNPSWAIQDNA-UHFFFAOYSA-N 1 0 379.456 4.250 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC000120888831 823082543 /nfs/dbraw/zinc/08/25/43/823082543.db2.gz LSSSZMUDYQLUBQ-UHFFFAOYSA-N 1 0 383.923 4.474 20 0 GIADRO C[C@@H](NC(=O)NC(C)(C)CCC[NH+](C)C)c1ccc(Br)cc1F ZINC000458769098 823083498 /nfs/dbraw/zinc/08/34/98/823083498.db2.gz JRLJXDPNVHINPD-GFCCVEGCSA-N 1 0 388.325 4.069 20 0 GIADRO Cc1cc(C[NH+]2CCC(c3nnc4ccccn43)CC2)cc(C)c1OC(F)F ZINC000120899396 823083875 /nfs/dbraw/zinc/08/38/75/823083875.db2.gz UGJNNMXOSDMEHA-UHFFFAOYSA-N 1 0 386.446 4.327 20 0 GIADRO COc1ccc(Cl)c(NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)c1 ZINC000175967381 823084064 /nfs/dbraw/zinc/08/40/64/823084064.db2.gz DZCSYTDOHQJFHX-UHFFFAOYSA-N 1 0 387.911 4.477 20 0 GIADRO Cc1cc(C)c(NC(=O)NC2CC[NH+](CC3CC3)CC2)cc1Br ZINC000187540129 823085327 /nfs/dbraw/zinc/08/53/27/823085327.db2.gz JNFQVRBQRORUOD-UHFFFAOYSA-N 1 0 380.330 4.062 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)Nc2ccc3c(c2)CCCO3)CC1 ZINC000175976763 823086989 /nfs/dbraw/zinc/08/69/89/823086989.db2.gz SQURJNRXQJUZRN-UHFFFAOYSA-N 1 0 379.504 4.140 20 0 GIADRO C[C@@H]([NH2+]CCCCCCOc1ccc(Cl)cc1)C1CCS(=O)(=O)CC1 ZINC000187563636 823089149 /nfs/dbraw/zinc/08/91/49/823089149.db2.gz UHENOGDZCVXRBO-MRXNPFEDSA-N 1 0 387.973 4.082 20 0 GIADRO CCC[N@H+](C)[C@@H](CNC(=O)C[C@@H](C)n1nc(C)cc1C)c1ccc(Cl)cc1 ZINC000570808611 823090026 /nfs/dbraw/zinc/09/00/26/823090026.db2.gz UKVDJRWOTQVHRV-XLIONFOSSA-N 1 0 390.959 4.304 20 0 GIADRO CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000056153088 823090070 /nfs/dbraw/zinc/09/00/70/823090070.db2.gz BEXLVJWTPSBKKI-BZSNNMDCSA-N 1 0 381.520 4.283 20 0 GIADRO COc1cc(C)c([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2Cl)cc1OC ZINC000056154043 823090307 /nfs/dbraw/zinc/09/03/07/823090307.db2.gz NKIQCGMWRPIAOS-KGLIPLIRSA-N 1 0 376.884 4.343 20 0 GIADRO CCOc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cc(OC)c(OC)cc2C)cc1 ZINC000056154056 823090473 /nfs/dbraw/zinc/09/04/73/823090473.db2.gz HZDGRIIEGKUSCV-HOTGVXAUSA-N 1 0 386.492 4.089 20 0 GIADRO COc1cc(C)c([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2Cl)cc1OC ZINC000056154046 823090494 /nfs/dbraw/zinc/09/04/94/823090494.db2.gz NKIQCGMWRPIAOS-UONOGXRCSA-N 1 0 376.884 4.343 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccc(CN[C@H](C(=O)NC3CC3)c3ccccc3)cc2)C1 ZINC000056154018 823090507 /nfs/dbraw/zinc/09/05/07/823090507.db2.gz NLDZBBMBYMVDOH-CYFREDJKSA-N 1 0 391.559 4.028 20 0 GIADRO COc1cc(C)c([C@H](C)[NH2+][C@H](C)C(=O)NCc2ccccc2Cl)cc1OC ZINC000056153888 823090586 /nfs/dbraw/zinc/09/05/86/823090586.db2.gz PLOPUYOACDSYPI-LSDHHAIUSA-N 1 0 390.911 4.021 20 0 GIADRO COc1cc(C)c([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(F)cc2Cl)cc1OC ZINC000056154173 823090762 /nfs/dbraw/zinc/09/07/62/823090762.db2.gz BNLFOHYHHRLIPD-STQMWFEESA-N 1 0 394.874 4.483 20 0 GIADRO CC(=O)c1ccccc1NC(=O)CCC[NH2+][C@H](C)c1cccc(-n2cccn2)c1 ZINC000570813959 823090853 /nfs/dbraw/zinc/09/08/53/823090853.db2.gz UTMGOPITXZEBMP-QGZVFWFLSA-N 1 0 390.487 4.144 20 0 GIADRO COc1cc(C)c([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(F)cc2Cl)cc1OC ZINC000056154175 823090844 /nfs/dbraw/zinc/09/08/44/823090844.db2.gz BNLFOHYHHRLIPD-QWHCGFSZSA-N 1 0 394.874 4.483 20 0 GIADRO CC(C)c1noc2nc(-c3ccco3)cc(C(=O)N(C)[C@H]3CC[N@H+](C)C[C@@H]3C)c21 ZINC000120944466 823090977 /nfs/dbraw/zinc/09/09/77/823090977.db2.gz RDSUUGDXYYYSJJ-YOEHRIQHSA-N 1 0 396.491 4.018 20 0 GIADRO CC[C@@]1(CO)CCC[N@H+](Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000187576079 823091321 /nfs/dbraw/zinc/09/13/21/823091321.db2.gz FSGCJXIAOTYVMF-GOSISDBHSA-N 1 0 379.298 4.089 20 0 GIADRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cccc(OC(C)C)c2)cc1OC ZINC000056156733 823091429 /nfs/dbraw/zinc/09/14/29/823091429.db2.gz UEUQCAHBMVBFPK-HZPDHXFCSA-N 1 0 386.492 4.169 20 0 GIADRO COc1ccc(C[NH2+]CCCOc2ncc(C(F)(F)F)cc2Cl)cc1O ZINC000120948456 823091513 /nfs/dbraw/zinc/09/15/13/823091513.db2.gz YAMQWEBHVTVEKW-UHFFFAOYSA-N 1 0 390.789 4.027 20 0 GIADRO Brc1cccc2c1C[C@@H]([NH2+]Cc1ccnc(N3CCCC3)c1)CC2 ZINC000570819903 823091674 /nfs/dbraw/zinc/09/16/74/823091674.db2.gz RLKVBQZXRXRZQF-KRWDZBQOSA-N 1 0 386.337 4.091 20 0 GIADRO COc1ccc(NC(=O)C[C@H](C)[NH2+]Cc2ccc(Cl)cc2F)c(OC)c1 ZINC000187580628 823092101 /nfs/dbraw/zinc/09/21/01/823092101.db2.gz ATKMNZKVJQDDSK-LBPRGKRZSA-N 1 0 380.847 4.003 20 0 GIADRO FC(F)Cn1cc(C[NH2+]CC2(c3ccccc3Br)CCC2)cn1 ZINC000570833298 823093019 /nfs/dbraw/zinc/09/30/19/823093019.db2.gz QGPJWAMCQZAORQ-UHFFFAOYSA-N 1 0 384.268 4.122 20 0 GIADRO O=C(CC[NH2+][C@H]1CCO[C@@H](C2CC2)C1)Nc1ccc(Oc2ccccc2)cc1 ZINC000570836189 823093574 /nfs/dbraw/zinc/09/35/74/823093574.db2.gz CJEITAZBDDIZMK-SIKLNZKXSA-N 1 0 380.488 4.355 20 0 GIADRO C[NH+](C)CCCCC(=O)N[C@@H]1CCN(C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000570845169 823094559 /nfs/dbraw/zinc/09/45/59/823094559.db2.gz GJTJULNBVUNRAB-UYAOXDASSA-N 1 0 397.966 4.241 20 0 GIADRO O=C(NCC[C@@H](c1ccccc1)C(F)(F)F)N1CCC([NH+]2CCCCC2)CC1 ZINC000458835862 823095333 /nfs/dbraw/zinc/09/53/33/823095333.db2.gz DGNHBDDNTZEGPR-IBGZPJMESA-N 1 0 397.485 4.383 20 0 GIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCCN(C(=O)NC[C@@H]2C[C@H]2C2CCCCC2)CC1 ZINC000458839884 823095847 /nfs/dbraw/zinc/09/58/47/823095847.db2.gz RZBSTAJMBHZWIG-WWNPGLIZSA-N 1 0 398.595 4.294 20 0 GIADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Nc1cnn(-c2ccccc2)c1 ZINC000176014199 823095884 /nfs/dbraw/zinc/09/58/84/823095884.db2.gz WWKILOBLWWDETJ-UHFFFAOYSA-N 1 0 397.445 4.000 20 0 GIADRO CC[NH+](CC)Cc1cccc(CN[C@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)c1 ZINC000056184908 823098092 /nfs/dbraw/zinc/09/80/92/823098092.db2.gz OYDBLQLXDWMTDN-OAHLLOKOSA-N 1 0 398.576 4.294 20 0 GIADRO CN1CC[C@@H]([NH2+]Cc2nc3ccc(F)cc3o2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000570857144 823096773 /nfs/dbraw/zinc/09/67/73/823096773.db2.gz CJSIGFMIUJVXSV-VQIMIIECSA-N 1 0 377.822 4.294 20 0 GIADRO CC[NH+](CC)C[C@H]1CCN(C(=O)C2(Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000187620967 823099107 /nfs/dbraw/zinc/09/91/07/823099107.db2.gz PXQZDRJUQFLYJV-QGZVFWFLSA-N 1 0 382.470 4.218 20 0 GIADRO COCC1=CC[N@H+](Cc2c(C)nn(-c3ccc(Br)cc3)c2C)CC1 ZINC000187623701 823099693 /nfs/dbraw/zinc/09/96/93/823099693.db2.gz IPLBTQGAHKCNPX-UHFFFAOYSA-N 1 0 390.325 4.030 20 0 GIADRO Cc1c(NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cccc1OCC(F)(F)F ZINC000176029836 823099824 /nfs/dbraw/zinc/09/98/24/823099824.db2.gz KTPIGDBAFPGYPJ-OAHLLOKOSA-N 1 0 387.446 4.274 20 0 GIADRO CCc1nnc(-c2ccc(NC(=O)N(CC[NH+](CC)CC)CC(C)C)cc2)o1 ZINC000176031425 823100628 /nfs/dbraw/zinc/10/06/28/823100628.db2.gz LBEIYJCCHYLXMS-UHFFFAOYSA-N 1 0 387.528 4.131 20 0 GIADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)c1sc(-c2ccc(C)o2)nc1C)c1ccco1 ZINC000570879401 823100907 /nfs/dbraw/zinc/10/09/07/823100907.db2.gz POJDERJCLIULKK-WFASDCNBSA-N 1 0 387.505 4.472 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1cccc(OCc2ccccn2)c1)C(=O)NC1CCC(C)CC1 ZINC000056201207 823102027 /nfs/dbraw/zinc/10/20/27/823102027.db2.gz TUTQANBUOIERTI-XTBIFASLSA-N 1 0 395.547 4.395 20 0 GIADRO CSc1ccc([C@H](CNC(=O)N(C)[C@@H](C)c2cccc(O)c2)[NH+](C)C)cc1 ZINC000458886250 823102134 /nfs/dbraw/zinc/10/21/34/823102134.db2.gz HLRYDEIBPIZTDO-YWZLYKJASA-N 1 0 387.549 4.119 20 0 GIADRO CCC(C)(C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000056207114 823103206 /nfs/dbraw/zinc/10/32/06/823103206.db2.gz BHDLEOLORFTACZ-JKSUJKDBSA-N 1 0 399.510 4.422 20 0 GIADRO CC(C)[C@@H](CC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)c1ccccc1 ZINC000176038855 823103516 /nfs/dbraw/zinc/10/35/16/823103516.db2.gz ARKYTAGSFMNFPR-XMMPIXPASA-N 1 0 394.559 4.089 20 0 GIADRO O=C(N[C@H]1CCCc2c(F)cc(F)cc21)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000458899829 823103561 /nfs/dbraw/zinc/10/35/61/823103561.db2.gz HQXKIKGNARFZIY-JXFKEZNVSA-N 1 0 377.479 4.002 20 0 GIADRO CSc1ccc([C@H](CNC(=O)N2CC(C)(C)[C@H]2c2cccnc2)[NH+](C)C)cc1 ZINC000458897961 823103566 /nfs/dbraw/zinc/10/35/66/823103566.db2.gz PMTVGIDJMLYPGE-VQTJNVASSA-N 1 0 398.576 4.199 20 0 GIADRO C[N@@H+]1CC[C@H](CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)C1 ZINC000187663849 823108821 /nfs/dbraw/zinc/10/88/21/823108821.db2.gz NDCGCZKKMSKMEK-AWEZNQCLSA-N 1 0 388.924 4.284 20 0 GIADRO Cc1cc(C)c(NC(=O)CN[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c(C)c1 ZINC000570927179 823108369 /nfs/dbraw/zinc/10/83/69/823108369.db2.gz SGWUMENYGCJNIF-JOCHJYFZSA-N 1 0 391.559 4.337 20 0 GIADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc(OC(F)(F)F)c(Cl)c1 ZINC000570925153 823108410 /nfs/dbraw/zinc/10/84/10/823108410.db2.gz HPAINPBZOCUESB-BXUZGUMPSA-N 1 0 391.821 4.329 20 0 GIADRO O=C(N[C@H](c1ccc(F)cc1)C(F)(F)F)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000570898933 823104660 /nfs/dbraw/zinc/10/46/60/823104660.db2.gz NLMBWXMLOXPXDE-IAGOWNOFSA-N 1 0 387.421 4.089 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)N[C@@H]1CCCc2c(F)cccc21 ZINC000458908023 823104781 /nfs/dbraw/zinc/10/47/81/823104781.db2.gz SDUIFJMYAXJVLN-LJQANCHMSA-N 1 0 375.513 4.038 20 0 GIADRO C[C@@H](Nc1ccc(CC[NH+]2CCCCC2)cc1)C(=O)Nc1cc(F)ccc1F ZINC000056216174 823105309 /nfs/dbraw/zinc/10/53/09/823105309.db2.gz IIZVACWSWSFYPA-MRXNPFEDSA-N 1 0 387.474 4.432 20 0 GIADRO C[C@@H](Nc1ccc(CC[NH+]2CCCCC2)cc1)C(=O)Nc1ccc(F)cc1F ZINC000056216172 823105400 /nfs/dbraw/zinc/10/54/00/823105400.db2.gz NAOFDHXCYXDLCP-MRXNPFEDSA-N 1 0 387.474 4.432 20 0 GIADRO CCN(C(=O)NCC(C)(C)c1ccccn1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000458915192 823105716 /nfs/dbraw/zinc/10/57/16/823105716.db2.gz CTNMMCDMPJLDBO-CTNGQTDRSA-N 1 0 394.563 4.226 20 0 GIADRO CC(C)(C)c1n[nH]cc1C[NH2+]Cc1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000121033878 823106499 /nfs/dbraw/zinc/10/64/99/823106499.db2.gz ITQVHTUEEGXRAA-UHFFFAOYSA-N 1 0 380.467 4.388 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1ccc(Cl)cc1F ZINC000187656490 823106629 /nfs/dbraw/zinc/10/66/29/823106629.db2.gz PLCXUWXKGYHNEY-QGZVFWFLSA-N 1 0 389.902 4.143 20 0 GIADRO CSCC1CCC(NC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000458925133 823107158 /nfs/dbraw/zinc/10/71/58/823107158.db2.gz CAHTUPDCTKVWGX-KBWCOIMZSA-N 1 0 389.609 4.072 20 0 GIADRO CCC(CC)[C@@H](NC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C)c1ccccc1 ZINC000176052887 823107669 /nfs/dbraw/zinc/10/76/69/823107669.db2.gz GRFRKESPBZHCEL-OAQYLSRUSA-N 1 0 396.535 4.146 20 0 GIADRO O=C(Nc1cccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)c1)C1CC1 ZINC000121044809 823108152 /nfs/dbraw/zinc/10/81/52/823108152.db2.gz OEALLVZJYWUISJ-NRFANRHFSA-N 1 0 377.488 4.028 20 0 GIADRO C[C@H]1CN(C(=O)N[C@H]2CCCC[C@H]2CC(F)(F)F)CC[N@@H+](C2CCC2)C1 ZINC000458940385 823109368 /nfs/dbraw/zinc/10/93/68/823109368.db2.gz FXOZYAIRNDGQCA-VYDXJSESSA-N 1 0 375.479 4.013 20 0 GIADRO COc1cccc([C@@H](CN[C@H](c2ncc[nH]2)c2ccc(F)cc2)[NH+]2CCCC2)c1 ZINC000187690843 823113761 /nfs/dbraw/zinc/11/37/61/823113761.db2.gz CTCQOKDFTIHPJE-YADHBBJMSA-N 1 0 394.494 4.074 20 0 GIADRO CC[C@@H](Cn1cncn1)[NH2+]C1(c2nc(-c3ccccc3F)c(C)s2)CCC1 ZINC000570936148 823109693 /nfs/dbraw/zinc/10/96/93/823109693.db2.gz FDXGYSPVCDAPMS-HNNXBMFYSA-N 1 0 385.512 4.297 20 0 GIADRO C[C@@H]1CN(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CCC1(F)F ZINC000570974855 823114184 /nfs/dbraw/zinc/11/41/84/823114184.db2.gz BABTWCBLDFDEDM-MRXNPFEDSA-N 1 0 381.467 4.060 20 0 GIADRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)Nc2ccc3nc(C(C)(C)C)sc3c2)C1(C)C ZINC000187675905 823110940 /nfs/dbraw/zinc/11/09/40/823110940.db2.gz PUCAQRGXZIYLSF-FOIQADDNSA-N 1 0 375.538 4.065 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@H](C)C[C@H](O)c2ccc(F)cc2)cc(OC)c1OC ZINC000121061542 823111116 /nfs/dbraw/zinc/11/11/16/823111116.db2.gz FUSYBJZJDFPMLE-GLJUWKHASA-N 1 0 377.456 4.014 20 0 GIADRO COc1ccc(C[NH2+][C@@H](C)CC(=O)Nc2ccccc2C(F)(F)F)c(OC)c1 ZINC000121060644 823111185 /nfs/dbraw/zinc/11/11/85/823111185.db2.gz UCLULCQJHBJZSS-ZDUSSCGKSA-N 1 0 396.409 4.230 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@H](C)c1cc2ccccc2s1 ZINC000176077861 823113997 /nfs/dbraw/zinc/11/39/97/823113997.db2.gz NPHTWESTROPCCT-OAHLLOKOSA-N 1 0 395.528 4.087 20 0 GIADRO CC[NH+](CC)CC(=O)Nc1cccc(NCc2ccc(OC(F)(F)F)cc2)c1 ZINC000570962864 823112654 /nfs/dbraw/zinc/11/26/54/823112654.db2.gz ADEUOHBIFGILLZ-UHFFFAOYSA-N 1 0 395.425 4.478 20 0 GIADRO Cc1csc(C(C)(C)NC(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)n1 ZINC000458980284 823112904 /nfs/dbraw/zinc/11/29/04/823112904.db2.gz RYXCIBGRWOEMLA-UHFFFAOYSA-N 1 0 386.565 4.041 20 0 GIADRO CCOC(=O)N1CCC([C@@H](C)[NH2+][C@@H](C)c2nc3ccc(Cl)cc3n2C)CC1 ZINC000187689456 823113506 /nfs/dbraw/zinc/11/35/06/823113506.db2.gz PNMGVCZBWLISLK-KGLIPLIRSA-N 1 0 392.931 4.134 20 0 GIADRO Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N(C)[C@H]3CC[N@H+](C)C[C@@H]3C)c12 ZINC000121075211 823113694 /nfs/dbraw/zinc/11/36/94/823113694.db2.gz ONWHKKQTSREMSE-KXBFYZLASA-N 1 0 399.583 4.030 20 0 GIADRO CC(C)(CO)[C@H]([NH2+]Cc1cc2c(c(Br)c1)OCO2)c1cccs1 ZINC000570976531 823114532 /nfs/dbraw/zinc/11/45/32/823114532.db2.gz WEVMVRJPQPHLHN-MRXNPFEDSA-N 1 0 398.322 4.089 20 0 GIADRO CCC[N@@H+]1CC[C@@H](CNCc2cc(C(F)(F)F)ccc2Br)C1 ZINC000570977609 823114816 /nfs/dbraw/zinc/11/48/16/823114816.db2.gz AKYDFKIGHQKSJT-LBPRGKRZSA-N 1 0 379.264 4.289 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2oc3ccc(CCC(C)=O)cc3c2C)C[C@H]1C ZINC000570979991 823115044 /nfs/dbraw/zinc/11/50/44/823115044.db2.gz OUBKZPILTIKAJG-DNVCBOLYSA-N 1 0 384.520 4.208 20 0 GIADRO C[C@H]([NH2+]CCCOc1ccc(C(F)(F)F)cn1)c1ccc2c(c1)CCC(=O)N2 ZINC000570991760 823116666 /nfs/dbraw/zinc/11/66/66/823116666.db2.gz PIOYJXKBHFCSRY-ZDUSSCGKSA-N 1 0 393.409 4.105 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1CN1CCOCC1)CCCS2 ZINC000187705288 823116910 /nfs/dbraw/zinc/11/69/10/823116910.db2.gz JANDNKQCKOFKTA-JOCHJYFZSA-N 1 0 398.572 4.244 20 0 GIADRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)c1cccc(C(=O)OC(C)(C)C)c1)c1ccco1 ZINC000570997975 823117490 /nfs/dbraw/zinc/11/74/90/823117490.db2.gz JQWNHSRJPSNDIV-QAPCUYQASA-N 1 0 386.492 4.094 20 0 GIADRO CC[C@@H](C)[NH2+][C@H](CNC(=O)c1cccc(C(=O)OC(C)(C)C)c1)c1ccco1 ZINC000570997973 823117626 /nfs/dbraw/zinc/11/76/26/823117626.db2.gz JQWNHSRJPSNDIV-CRAIPNDOSA-N 1 0 386.492 4.094 20 0 GIADRO CCC(CC)c1cc(C[NH2+][C@@H](C)CC(=O)Nc2cc(OC)ccc2OC)on1 ZINC000121099599 823118204 /nfs/dbraw/zinc/11/82/04/823118204.db2.gz JDWJATJIJPCUJX-AWEZNQCLSA-N 1 0 389.496 4.102 20 0 GIADRO CSc1ccc([C@H](CNC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)[NH+](C)C)cc1 ZINC000571001557 823118275 /nfs/dbraw/zinc/11/82/75/823118275.db2.gz UKHCGROSNDZJPP-SCTDSRPQSA-N 1 0 390.499 4.209 20 0 GIADRO COc1ccc(Sc2ccc(NC(=O)N3CC[C@H]([NH+]4CC=CC4)C3)cc2)cc1 ZINC000176093395 823118462 /nfs/dbraw/zinc/11/84/62/823118462.db2.gz IGSVCLNLCUOMTP-SFHVURJKSA-N 1 0 395.528 4.324 20 0 GIADRO C[NH+](C)CCOc1ccc(-c2noc(-c3cscc3Br)n2)cc1 ZINC000571004426 823118494 /nfs/dbraw/zinc/11/84/94/823118494.db2.gz SANGNLGLRRKGGN-UHFFFAOYSA-N 1 0 394.294 4.168 20 0 GIADRO COc1cc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc(Cl)c1OCCC(C)C ZINC000121113628 823120934 /nfs/dbraw/zinc/12/09/34/823120934.db2.gz PZCKZIRRFFYKAN-YJBOKZPZSA-N 1 0 396.959 4.186 20 0 GIADRO C[C@H]([NH2+]C(c1ccccc1)c1ccccc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000121118250 823121474 /nfs/dbraw/zinc/12/14/74/823121474.db2.gz XOFFTXFUNHWHOD-SFHVURJKSA-N 1 0 394.540 4.377 20 0 GIADRO CC[C@H]1CCCCN1C(=O)C[NH2+]C1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000571030414 823122536 /nfs/dbraw/zinc/12/25/36/823122536.db2.gz GBPGVPUTNGLLRA-SFHVURJKSA-N 1 0 398.469 4.092 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)N[C@H]2CCO[C@@H](c3cccs3)C2)CC1 ZINC000459069928 823123656 /nfs/dbraw/zinc/12/36/56/823123656.db2.gz MMQHBASAOFVSMV-RBUKOAKNSA-N 1 0 393.597 4.122 20 0 GIADRO COc1ccc(-c2noc(C[N@@H+]3CCC[C@H]3Cc3ccc(F)cc3)n2)c(OC)c1 ZINC000056304827 823124226 /nfs/dbraw/zinc/12/42/26/823124226.db2.gz FRWYUFQIZCPBBF-KRWDZBQOSA-N 1 0 397.450 4.100 20 0 GIADRO CCN(C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[C@H](C)Cc1ccsc1 ZINC000187753349 823125756 /nfs/dbraw/zinc/12/57/56/823125756.db2.gz YWCBUIJWYWKJIK-QGZVFWFLSA-N 1 0 386.565 4.022 20 0 GIADRO CCCN(C(=O)NCc1cnc(C2CC2)o1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000459085754 823125983 /nfs/dbraw/zinc/12/59/83/823125983.db2.gz VVVWKBZAGOVVBP-HXUWFJFHSA-N 1 0 396.535 4.138 20 0 GIADRO CC(C)Oc1cccc([C@@H](C)[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000121147442 823127173 /nfs/dbraw/zinc/12/71/73/823127173.db2.gz SINWHLSCYQMMRN-DLBZAZTESA-N 1 0 390.549 4.136 20 0 GIADRO CSc1ccc(NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)cc1Cl ZINC000176121483 823127275 /nfs/dbraw/zinc/12/72/75/823127275.db2.gz SBQGBKZIHKTTQI-UHFFFAOYSA-N 1 0 390.940 4.243 20 0 GIADRO CCC[C@H]1CCCC[C@H]1CNC(=O)N(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000459103093 823128248 /nfs/dbraw/zinc/12/82/48/823128248.db2.gz BFDAILCZDKWJII-LGGPRVQUSA-N 1 0 386.584 4.322 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)N1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000571076253 823128402 /nfs/dbraw/zinc/12/84/02/823128402.db2.gz PCQPTQFSZLBMTB-DHIUTWEWSA-N 1 0 399.579 4.163 20 0 GIADRO Cc1nc(-c2c[nH]c(C(=O)Nc3ccc(CC[NH+]4CCCC4)cc3)c2)cs1 ZINC000056326807 823128524 /nfs/dbraw/zinc/12/85/24/823128524.db2.gz ZOQVQJQWNSIVSJ-UHFFFAOYSA-N 1 0 380.517 4.337 20 0 GIADRO C[C@H](SCC1CC[NH2+]CC1)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000571080200 823129099 /nfs/dbraw/zinc/12/90/99/823129099.db2.gz OXUYQYOAFGUXFZ-LBPRGKRZSA-N 1 0 379.526 4.009 20 0 GIADRO C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@@H](CO)c1c(F)cccc1F ZINC000571081606 823129208 /nfs/dbraw/zinc/12/92/08/823129208.db2.gz UNHYYJDVONSACX-HWPZZCPQSA-N 1 0 388.227 4.121 20 0 GIADRO C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)c1 ZINC000056332114 823129452 /nfs/dbraw/zinc/12/94/52/823129452.db2.gz MIKQGEWBDYBRNW-HTAPYJJXSA-N 1 0 391.515 4.172 20 0 GIADRO O=C(CCc1nc(-c2ccsc2)no1)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000056331879 823129504 /nfs/dbraw/zinc/12/95/04/823129504.db2.gz JFDJQXCAQHGDKB-UHFFFAOYSA-N 1 0 396.516 4.008 20 0 GIADRO Cc1ccccc1C[C@H](C)[NH2+]CCC(=O)Nc1cccc(Br)c1 ZINC000571085821 823129718 /nfs/dbraw/zinc/12/97/18/823129718.db2.gz QKJMZSPNQNZZIZ-HNNXBMFYSA-N 1 0 375.310 4.307 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1cc(F)ccc1Br ZINC000056332383 823129870 /nfs/dbraw/zinc/12/98/70/823129870.db2.gz MLKHEJQREBNZQC-UHFFFAOYSA-N 1 0 391.284 4.479 20 0 GIADRO COc1ccc(NC(=O)C[C@H](C)[NH2+]CCCn2ccc3ccccc32)c(OC)c1 ZINC000121164010 823130440 /nfs/dbraw/zinc/13/04/40/823130440.db2.gz JEQAHDCBMYRESZ-KRWDZBQOSA-N 1 0 395.503 4.056 20 0 GIADRO C[NH2+]Cc1ccc(NC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000571088854 823130474 /nfs/dbraw/zinc/13/04/74/823130474.db2.gz TWKCJYOYJHYMMJ-UHFFFAOYSA-N 1 0 384.867 4.071 20 0 GIADRO COC[C@]1(C[NH2+]Cc2cc(C(F)(F)F)ccc2F)OCCc2ccccc21 ZINC000571091873 823130719 /nfs/dbraw/zinc/13/07/19/823130719.db2.gz GUQXJJSQLOTNQN-IBGZPJMESA-N 1 0 383.385 4.049 20 0 GIADRO C[C@H]1C[C@H](NC(=O)Cc2csc(-c3ccoc3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000176129975 823130898 /nfs/dbraw/zinc/13/08/98/823130898.db2.gz HKBKTUSJCHTLLQ-QFBILLFUSA-N 1 0 395.528 4.115 20 0 GIADRO C[C@@H](C[C@@H](O)c1cccs1)[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000121173735 823132218 /nfs/dbraw/zinc/13/22/18/823132218.db2.gz OSPFMCILSDJCSJ-KBXCAEBGSA-N 1 0 392.952 4.108 20 0 GIADRO C[C@H](CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(=O)c1cccc(F)c1 ZINC000176134174 823132268 /nfs/dbraw/zinc/13/22/68/823132268.db2.gz OVVNSMMVTLRJJC-HMFYCAOWSA-N 1 0 396.506 4.204 20 0 GIADRO Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)[C@H]2CCC[C@H](C)C2)C1 ZINC000459131804 823132462 /nfs/dbraw/zinc/13/24/62/823132462.db2.gz BLXIKOVGAPEZRD-CAMMJAKZSA-N 1 0 392.613 4.130 20 0 GIADRO COc1ccccc1CNC(=O)[C@H](C)[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000121176770 823132517 /nfs/dbraw/zinc/13/25/17/823132517.db2.gz PLRVXQITYFDJRK-GUYCJALGSA-N 1 0 390.936 4.180 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCc2ccc(-c3ccccc3)cc21)c1ccc(S(N)(=O)=O)cc1 ZINC000187786691 823132796 /nfs/dbraw/zinc/13/27/96/823132796.db2.gz XFEFOHYEDOFNRP-WAIKUNEKSA-N 1 0 392.524 4.339 20 0 GIADRO CCN(Cc1cccc(-c2ccncc2)c1)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000459136336 823133232 /nfs/dbraw/zinc/13/32/32/823133232.db2.gz FFQOHTUZCLOMKO-UHFFFAOYSA-N 1 0 380.536 4.155 20 0 GIADRO COc1ccccc1NC(=O)C[C@H](C)[NH2+]Cc1cccc(Br)c1C ZINC000571105927 823133305 /nfs/dbraw/zinc/13/33/05/823133305.db2.gz QRMVKUUPONZMKA-ZDUSSCGKSA-N 1 0 391.309 4.273 20 0 GIADRO Cc1ccccc1C1(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)CCCCC1 ZINC000187789690 823133439 /nfs/dbraw/zinc/13/34/39/823133439.db2.gz RUWVJNCGQHEQDN-UHFFFAOYSA-N 1 0 391.559 4.373 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)N1CCCC[C@H]1c1nccs1 ZINC000176142552 823134346 /nfs/dbraw/zinc/13/43/46/823134346.db2.gz UNFPTPIQZKECBN-IRXDYDNUSA-N 1 0 388.537 4.200 20 0 GIADRO CN(C(=O)N[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000459143465 823134364 /nfs/dbraw/zinc/13/43/64/823134364.db2.gz PVWFIQWONFOGNX-MZSJESITSA-N 1 0 375.944 4.243 20 0 GIADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc2ccccc2n1Cc1ccccc1F ZINC000121189036 823135004 /nfs/dbraw/zinc/13/50/04/823135004.db2.gz PDKWCDAFTLQPNB-UWJYYQICSA-N 1 0 393.506 4.241 20 0 GIADRO Cc1cc(C[N@H+](CCc2ccccc2)Cc2cccnc2)ccc1-n1cncn1 ZINC000571127255 823136816 /nfs/dbraw/zinc/13/68/16/823136816.db2.gz WWSDERGLSTWRKB-UHFFFAOYSA-N 1 0 383.499 4.216 20 0 GIADRO C[C@H](c1cccc(Cl)c1)N(C)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000056360505 823136046 /nfs/dbraw/zinc/13/60/46/823136046.db2.gz UXMQTCJKVCMDKC-QAPCUYQASA-N 1 0 375.900 4.473 20 0 GIADRO Cc1ccc(-c2nc(-c3nc([C@H]4C[N@@H+]5CCC[C@]5(C)CO4)no3)cs2)cc1 ZINC000571123851 823136176 /nfs/dbraw/zinc/13/61/76/823136176.db2.gz IPAFIFKVAOXTAN-OXQOHEQNSA-N 1 0 382.489 4.094 20 0 GIADRO C[N@H+](CCCCNC(=O)N1CCSC[C@@H]1c1ccc(Cl)cc1)C1CC1 ZINC000459167759 823137107 /nfs/dbraw/zinc/13/71/07/823137107.db2.gz URUISZZTGJBTLQ-GOSISDBHSA-N 1 0 381.973 4.014 20 0 GIADRO COc1ccc([C@H](NC(=O)N2CCC(CCC[NH+](C)C)CC2)c2ccco2)cc1 ZINC000459181678 823139514 /nfs/dbraw/zinc/13/95/14/823139514.db2.gz XRUQGQLHQNVKNP-QFIPXVFZSA-N 1 0 399.535 4.141 20 0 GIADRO COc1cc(OC)c([C@H](C)[NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)cc1Cl ZINC000571137830 823139797 /nfs/dbraw/zinc/13/97/97/823139797.db2.gz WCGWEEZGFDPHLS-LRDNONRASA-N 1 0 376.884 4.323 20 0 GIADRO CC(=O)c1cccc(NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000121214496 823140014 /nfs/dbraw/zinc/14/00/14/823140014.db2.gz NGZNIARIGYYGCX-HTAPYJJXSA-N 1 0 379.504 4.406 20 0 GIADRO C[N@H+](CCCCNC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1)C1CC1 ZINC000459193598 823141461 /nfs/dbraw/zinc/14/14/61/823141461.db2.gz OFVMQDOBTXKISO-UHFFFAOYSA-N 1 0 383.458 4.254 20 0 GIADRO Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]C[C@H](O)c1ccccc1F ZINC000121222284 823141503 /nfs/dbraw/zinc/14/15/03/823141503.db2.gz PTCZNAJUGIYPHS-NRFANRHFSA-N 1 0 387.886 4.164 20 0 GIADRO C[C@H]1C[N@@H+](C2CCN(C(=O)CC(C)(C)Cc3ccc(Cl)cc3)CC2)CCO1 ZINC000187830565 823142007 /nfs/dbraw/zinc/14/20/07/823142007.db2.gz SRLCMMZEJNAGGV-KRWDZBQOSA-N 1 0 392.971 4.011 20 0 GIADRO CC[N@H+](CCc1nccs1)[C@H](C)C(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000121227273 823142608 /nfs/dbraw/zinc/14/26/08/823142608.db2.gz SCVLXXLDRKDIQG-DLBZAZTESA-N 1 0 381.545 4.427 20 0 GIADRO Cc1ccc([C@@H](O)C[NH2+][C@@H](C)CC(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000121243050 823146065 /nfs/dbraw/zinc/14/60/65/823146065.db2.gz AHAUFVCVTXDVLY-KSSFIOAISA-N 1 0 380.410 4.054 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)c3nc(C(C)C)oc3C)C2)s1 ZINC000571170975 823143793 /nfs/dbraw/zinc/14/37/93/823143793.db2.gz BMQXLAOKBLRCHE-INIZCTEOSA-N 1 0 375.538 4.070 20 0 GIADRO COc1cc(C[NH2+]C[C@@H](O)c2ccccc2F)ccc1OCc1cccs1 ZINC000121234590 823144071 /nfs/dbraw/zinc/14/40/71/823144071.db2.gz MCSHFPNUWAHLTL-LJQANCHMSA-N 1 0 387.476 4.298 20 0 GIADRO Cc1ccc([C@H](O)C[NH2+][C@H](C)CC(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000121243195 823145955 /nfs/dbraw/zinc/14/59/55/823145955.db2.gz AHAUFVCVTXDVLY-RDTXWAMCSA-N 1 0 380.410 4.054 20 0 GIADRO Cc1ncncc1[C@@H](C)[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000571178881 823144509 /nfs/dbraw/zinc/14/45/09/823144509.db2.gz SKQWWQZJXGOAFY-PUZWTLIVSA-N 1 0 390.506 4.243 20 0 GIADRO C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000459212177 823145034 /nfs/dbraw/zinc/14/50/34/823145034.db2.gz LXZLVPKRDBGTIT-CYBMUJFWSA-N 1 0 376.382 4.256 20 0 GIADRO CC(C)(CN[C@H](c1ncc[nH]1)c1ccc(F)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000187845453 823145266 /nfs/dbraw/zinc/14/52/66/823145266.db2.gz JBUPEEJVUZYDMC-NRFANRHFSA-N 1 0 378.495 4.065 20 0 GIADRO COc1cccc(C[C@H]([NH2+]C[C@H]2CCN(c3cccc(OC)c3)C2)C2CC2)c1 ZINC000121244445 823146317 /nfs/dbraw/zinc/14/63/17/823146317.db2.gz LSVAAFLXOONHFD-DVECYGJZSA-N 1 0 380.532 4.141 20 0 GIADRO COc1ccc([C@H](NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)c2ccco2)cc1 ZINC000459217133 823146398 /nfs/dbraw/zinc/14/63/98/823146398.db2.gz PRVAJUJCVKMVMJ-QFIPXVFZSA-N 1 0 397.519 4.038 20 0 GIADRO CCCN(Cc1ccccc1Br)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000459245030 823151086 /nfs/dbraw/zinc/15/10/86/823151086.db2.gz AZHYYRARKURYBR-MRXNPFEDSA-N 1 0 396.373 4.103 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+]CCCS(=O)(=O)c1ccccc1)CCCS2 ZINC000187857149 823147424 /nfs/dbraw/zinc/14/74/24/823147424.db2.gz AQULQBYCVMXGSJ-LJQANCHMSA-N 1 0 391.558 4.076 20 0 GIADRO C[C@H](c1cccc(Cl)c1)N(C)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000056421673 823147434 /nfs/dbraw/zinc/14/74/34/823147434.db2.gz HVDNPRRXXHBPSZ-MRXNPFEDSA-N 1 0 386.927 4.102 20 0 GIADRO CO[C@@H]1CN(C(=O)Nc2ccc(SCC[NH+]3CCCCC3)cc2)CC[C@H]1C ZINC000571203776 823148056 /nfs/dbraw/zinc/14/80/56/823148056.db2.gz GXKWULDUYNHIKM-YLJYHZDGSA-N 1 0 391.581 4.153 20 0 GIADRO CCN(Cc1ccccc1C)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000056441205 823149457 /nfs/dbraw/zinc/14/94/57/823149457.db2.gz DYNJZYAYOXZZQY-UHFFFAOYSA-N 1 0 383.511 4.330 20 0 GIADRO CCc1noc(CCCC(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)n1 ZINC000056443041 823149983 /nfs/dbraw/zinc/14/99/83/823149983.db2.gz ITAZRJOALIDXKE-UHFFFAOYSA-N 1 0 384.524 4.358 20 0 GIADRO CCCC(=O)N1CCC[C@@H](C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC000056443059 823150048 /nfs/dbraw/zinc/15/00/48/823150048.db2.gz CYVODGIQDFFLIK-HXUWFJFHSA-N 1 0 399.579 4.428 20 0 GIADRO CCOc1cc(C[N@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc(Cl)c1O ZINC000459284832 823156208 /nfs/dbraw/zinc/15/62/08/823156208.db2.gz ULARGFSJCQNVCT-AWEZNQCLSA-N 1 0 386.883 4.218 20 0 GIADRO C[C@H](CNC(=O)NC1CC[NH+](C(C)(C)C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000187881914 823152007 /nfs/dbraw/zinc/15/20/07/823152007.db2.gz IDHRGGDFGLNUBM-CQSZACIVSA-N 1 0 385.474 4.371 20 0 GIADRO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CCC1C[C@H](C)O[C@@H](C)C1 ZINC000571228716 823152215 /nfs/dbraw/zinc/15/22/15/823152215.db2.gz PCNZOZYUTPCDNX-IKGGRYGDSA-N 1 0 380.960 4.260 20 0 GIADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)c2ccc(-c3ccccc3)o2)c1 ZINC000571234037 823152795 /nfs/dbraw/zinc/15/27/95/823152795.db2.gz KQZKBNVDMVDWOZ-UHFFFAOYSA-N 1 0 391.471 4.479 20 0 GIADRO CCCCOc1ccc(NC(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)cn1 ZINC000187888782 823152980 /nfs/dbraw/zinc/15/29/80/823152980.db2.gz JWFPERJUCNXCGW-QGZVFWFLSA-N 1 0 397.523 4.003 20 0 GIADRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)c2ccc(-c3cc[nH]n3)s2)CC1 ZINC000571236509 823153081 /nfs/dbraw/zinc/15/30/81/823153081.db2.gz VPFJTRPALACBBX-UHFFFAOYSA-N 1 0 394.544 4.122 20 0 GIADRO CC[C@H](Cc1ccccc1)C(=O)Nc1cccc(NC(=O)C[NH+](CC)CC)c1 ZINC000571237793 823153450 /nfs/dbraw/zinc/15/34/50/823153450.db2.gz IEVMDCOYIUVGJY-LJQANCHMSA-N 1 0 381.520 4.174 20 0 GIADRO COc1cc(Br)ccc1C[NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000571246001 823154966 /nfs/dbraw/zinc/15/49/66/823154966.db2.gz BTYQIXBEQCJNQH-LBPRGKRZSA-N 1 0 389.293 4.193 20 0 GIADRO Fc1ccc([C@@H](NCC2CC[NH+](Cc3cccs3)CC2)c2ncc[nH]2)cc1 ZINC000187901040 823155247 /nfs/dbraw/zinc/15/52/47/823155247.db2.gz VOBLIJMOXYWMNL-HXUWFJFHSA-N 1 0 384.524 4.202 20 0 GIADRO Cc1cccc(O[C@H](C)c2nnc(N3C[C@@H]4CCC[N@@H+]4C[C@@H]3C)n2C2CC2)c1C ZINC000571291643 823161176 /nfs/dbraw/zinc/16/11/76/823161176.db2.gz KCRHXCCDTJYNFR-HQRMLTQVSA-N 1 0 395.551 4.043 20 0 GIADRO CC[C@H]([NH2+]Cc1cc(Cl)c(OCC(N)=O)c(OC)c1)c1cccc(Cl)c1 ZINC000121298024 823157788 /nfs/dbraw/zinc/15/77/88/823157788.db2.gz IDPJBINWAIWTSP-INIZCTEOSA-N 1 0 397.302 4.107 20 0 GIADRO CC[C@@H]([NH2+]Cc1cc(Cl)c(OCC(N)=O)c(OC)c1)c1cccc(Cl)c1 ZINC000121298189 823157841 /nfs/dbraw/zinc/15/78/41/823157841.db2.gz IDPJBINWAIWTSP-MRXNPFEDSA-N 1 0 397.302 4.107 20 0 GIADRO CCCN(C(=O)NC1CCC(OC)CC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000459299946 823158258 /nfs/dbraw/zinc/15/82/58/823158258.db2.gz YQGLAZAPPRYJBA-ORFBVSJDSA-N 1 0 387.568 4.030 20 0 GIADRO C[C@H]1CN(c2ccccc2C[N@H+](C)Cc2ccccc2N2CCCC2)CCO1 ZINC000459301232 823158717 /nfs/dbraw/zinc/15/87/17/823158717.db2.gz JIRQLGHEHCKANF-FQEVSTJZSA-N 1 0 379.548 4.144 20 0 GIADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C2CC2)C1 ZINC000571292666 823161358 /nfs/dbraw/zinc/16/13/58/823161358.db2.gz ONVQWFFGODVJCJ-CQSZACIVSA-N 1 0 391.922 4.241 20 0 GIADRO CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC000571273915 823159334 /nfs/dbraw/zinc/15/93/34/823159334.db2.gz FGKDVEWTCULFPX-RBUKOAKNSA-N 1 0 393.531 4.122 20 0 GIADRO CCc1cccc(C)c1NC(=O)C[N@H+](CC(C)C)C[C@@H](O)c1ccc(F)cc1 ZINC000121306539 823159892 /nfs/dbraw/zinc/15/98/92/823159892.db2.gz UWHQMNQMCJIINC-OAQYLSRUSA-N 1 0 386.511 4.327 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1C[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000459312866 823160019 /nfs/dbraw/zinc/16/00/19/823160019.db2.gz UJYWCUUWZIHSRT-UHFFFAOYSA-N 1 0 394.544 4.432 20 0 GIADRO CCC[C@H](NC(=O)N1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1)C1CCCC1 ZINC000459314763 823160069 /nfs/dbraw/zinc/16/00/69/823160069.db2.gz KWASQBSHFYPCOK-HKUYNNGSSA-N 1 0 392.613 4.274 20 0 GIADRO c1c(CN2CCC[C@@H]([NH+]3CCCC3)C2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459317241 823160343 /nfs/dbraw/zinc/16/03/43/823160343.db2.gz BNVFMZIQSIQSFZ-OAQYLSRUSA-N 1 0 379.552 4.120 20 0 GIADRO CC(C)OCC[NH+]1CCC(NC(=O)N[C@@H](c2ccc(F)cc2)C(C)(C)C)CC1 ZINC000176240193 823160677 /nfs/dbraw/zinc/16/06/77/823160677.db2.gz ZPGDPGFAXOSPLS-FQEVSTJZSA-N 1 0 393.547 4.102 20 0 GIADRO Cc1coc(-c2ccc(C)c(NC(=O)NC3CC[NH+](C4CCCC4)CC3)c2)n1 ZINC000121315313 823161686 /nfs/dbraw/zinc/16/16/86/823161686.db2.gz UZLUUADJJVSLOB-UHFFFAOYSA-N 1 0 382.508 4.487 20 0 GIADRO CCOc1cc(C[N@@H+]2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)ccc1O ZINC000459331916 823162600 /nfs/dbraw/zinc/16/26/00/823162600.db2.gz XAWJQVXLAHDYAX-KRWDZBQOSA-N 1 0 397.450 4.360 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)N(Cc2c(F)cccc2F)C2CC2)c1 ZINC000187954902 823163219 /nfs/dbraw/zinc/16/32/19/823163219.db2.gz RJFWNPQHGFNRDE-UHFFFAOYSA-N 1 0 387.474 4.291 20 0 GIADRO CC1CC[NH+](CCc2cccc(NC(=O)N[C@H](C3CC3)C(F)(F)F)c2)CC1 ZINC000571322448 823164792 /nfs/dbraw/zinc/16/47/92/823164792.db2.gz LCZPKHYPXNBYRL-GOSISDBHSA-N 1 0 383.458 4.423 20 0 GIADRO Fc1cccc(-n2cccn2)c1CN[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000571324922 823165419 /nfs/dbraw/zinc/16/54/19/823165419.db2.gz FYKYGJQJIMXLIQ-FQEVSTJZSA-N 1 0 390.506 4.298 20 0 GIADRO CC[N@H+](CCc1cncn1C)[C@H]1CCSc2ccc(Br)cc21 ZINC000459341627 823165486 /nfs/dbraw/zinc/16/54/86/823165486.db2.gz PZJKIRLKSFCXHZ-INIZCTEOSA-N 1 0 380.355 4.284 20 0 GIADRO Cc1sc2nc([C@@H](C)N3CC[C@H](Cc4ccc(F)cc4)C3)[nH]c(=O)c2c1C ZINC000121336131 823165582 /nfs/dbraw/zinc/16/55/82/823165582.db2.gz AHRUSGHKWLVRBD-CZUORRHYSA-N 1 0 385.508 4.366 20 0 GIADRO O=C(Nc1cc(Cl)ccc1O)C1CC[NH+](CCc2ccccc2F)CC1 ZINC000121338906 823165955 /nfs/dbraw/zinc/16/59/55/823165955.db2.gz JTIQEQHBWKOBRT-UHFFFAOYSA-N 1 0 376.859 4.078 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1CNc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000459344539 823166522 /nfs/dbraw/zinc/16/65/22/823166522.db2.gz NWLVOLBYZONZQN-UHFFFAOYSA-N 1 0 396.560 4.068 20 0 GIADRO COc1ccc(-c2ccccc2C)cc1C[NH+]1CCC(N2CCCNC2=O)CC1 ZINC000459360474 823171647 /nfs/dbraw/zinc/17/16/47/823171647.db2.gz FWFXNTBMZUJTPX-UHFFFAOYSA-N 1 0 393.531 4.050 20 0 GIADRO C[C@@H](C(=O)NCc1ccc(C[NH+](C)C)c(F)c1)c1ccc(Br)cc1 ZINC000121347602 823167634 /nfs/dbraw/zinc/16/76/34/823167634.db2.gz WHZPGHMHXOOWQL-CYBMUJFWSA-N 1 0 393.300 4.070 20 0 GIADRO FC(F)(F)c1ccc2nnc([C@H]3CCC[N@H+](CCOCC4CCCC4)C3)n2c1 ZINC000459350495 823168337 /nfs/dbraw/zinc/16/83/37/823168337.db2.gz PIZYZRLGYDDEBD-INIZCTEOSA-N 1 0 396.457 4.134 20 0 GIADRO CCN1CC[C@H]([NH2+]Cc2cc(F)ccc2OC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000571346682 823168582 /nfs/dbraw/zinc/16/85/82/823168582.db2.gz LMNNYZJEWMGPEV-PXNSSMCTSA-N 1 0 382.401 4.177 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)Nc1cccc(-c2nccs2)c1 ZINC000459351146 823168668 /nfs/dbraw/zinc/16/86/68/823168668.db2.gz KKFUZDPAFKPNDR-UHFFFAOYSA-N 1 0 386.546 4.467 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@@H](C)[C@@H](C)c1ccccc1 ZINC000176271243 823168778 /nfs/dbraw/zinc/16/87/78/823168778.db2.gz QHWRQLMALGXSGL-MOPGFXCFSA-N 1 0 380.536 4.061 20 0 GIADRO CC[C@@H]([NH2+]CC1(N(C)C)CCOCC1)c1ccc(Br)cc1Cl ZINC000188012545 823171827 /nfs/dbraw/zinc/17/18/27/823171827.db2.gz RMYSBJYPWAEMEJ-MRXNPFEDSA-N 1 0 389.765 4.254 20 0 GIADRO Cc1ncc2c(n1)CC[C@@H]([NH2+][C@@H]1CCCOc3c(Cl)c(Cl)ccc31)C2 ZINC000571349493 823169297 /nfs/dbraw/zinc/16/92/97/823169297.db2.gz ZPTBDQPRDNEOJN-CXAGYDPISA-N 1 0 378.303 4.453 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(NC(=O)c2ccc(F)cc2)c1)c1cccc(CO)c1 ZINC000121355296 823169401 /nfs/dbraw/zinc/16/94/01/823169401.db2.gz QSBQXFCWJZUJRJ-MRXNPFEDSA-N 1 0 378.447 4.421 20 0 GIADRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)Nc3cc(F)ccc3OC(F)F)C2)CC1 ZINC000121363152 823170583 /nfs/dbraw/zinc/17/05/83/823170583.db2.gz ASXXPGZIILLVJQ-HNNXBMFYSA-N 1 0 399.457 4.403 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCCC1)Nc1cccnc1C(F)(F)F ZINC000571360624 823170711 /nfs/dbraw/zinc/17/07/11/823170711.db2.gz FBIYURKYSFVXOZ-UHFFFAOYSA-N 1 0 392.425 4.408 20 0 GIADRO CCC[N@@H+]1CCCC[C@@H]1C(=O)NCc1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000121365414 823170964 /nfs/dbraw/zinc/17/09/64/823170964.db2.gz HCDXVUFJYBJFDI-QGZVFWFLSA-N 1 0 375.900 4.184 20 0 GIADRO COc1ccc(-c2ocnc2-c2nc(-c3cccc(-n4ccnc4)c3)no2)cc1 ZINC000571361837 823171115 /nfs/dbraw/zinc/17/11/15/823171115.db2.gz CWIJIEXQYSCUFG-UHFFFAOYSA-N 1 0 385.383 4.253 20 0 GIADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cn3ccnc3)cc2)[C@H]1Sc1ccccc1 ZINC000459361992 823172247 /nfs/dbraw/zinc/17/22/47/823172247.db2.gz GEMNKONVJLIMPO-DNVJHFABSA-N 1 0 393.556 4.359 20 0 GIADRO Cc1cccnc1[C@@H]([NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1)C(C)C ZINC000188017659 823172482 /nfs/dbraw/zinc/17/24/82/823172482.db2.gz ACKVIRHLGVJMIL-NGICGMGXSA-N 1 0 391.515 4.284 20 0 GIADRO C[C@@H]1CN(c2ccccc2CNc2cccc(C[NH+]3CCSCC3)c2)CCO1 ZINC000459363835 823172879 /nfs/dbraw/zinc/17/28/79/823172879.db2.gz ZSJMLGMAXCOTKL-LJQANCHMSA-N 1 0 397.588 4.073 20 0 GIADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(NC(=O)c3cccc(F)c3)c2)[C@H]1SC ZINC000459378299 823177222 /nfs/dbraw/zinc/17/72/22/823177222.db2.gz VXGFNYCBAVBVSC-VAMGGRTRSA-N 1 0 388.508 4.077 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)N(Cc1ccco1)C[C@@H]1CCCO1 ZINC000056578322 823173903 /nfs/dbraw/zinc/17/39/03/823173903.db2.gz IFPKHDPLFYIZFK-QFIPXVFZSA-N 1 0 399.535 4.012 20 0 GIADRO O=C(Nc1cccc(N2CCCCC2=O)c1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176292023 823174107 /nfs/dbraw/zinc/17/41/07/823174107.db2.gz RTYSLHLSWUKUCU-UHFFFAOYSA-N 1 0 398.551 4.122 20 0 GIADRO COCC(=O)Nc1cccc(C[NH2+][C@H](C)Cc2ccccc2C(F)(F)F)c1 ZINC000571375916 823174293 /nfs/dbraw/zinc/17/42/93/823174293.db2.gz BRVVLWPOXHQGMP-CQSZACIVSA-N 1 0 380.410 4.011 20 0 GIADRO Cc1ccc(-n2ncc(NC(=O)N3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)c2C(C)C)cc1 ZINC000571377039 823174462 /nfs/dbraw/zinc/17/44/62/823174462.db2.gz WVNZQRRFQRLJBZ-GHTZIAJQSA-N 1 0 395.551 4.252 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(NC(=O)c3ccc(F)cc3)c2)[C@H]1SC ZINC000459369095 823174512 /nfs/dbraw/zinc/17/45/12/823174512.db2.gz HCUMTTJVYJLNOR-XUVXKRRUSA-N 1 0 388.508 4.077 20 0 GIADRO COc1ccc(C[N@@H+]2CCC[C@]2(CO)CC(C)C)cc1OCc1cccnc1 ZINC000188034823 823174835 /nfs/dbraw/zinc/17/48/35/823174835.db2.gz OPEKYDOCIISOIL-HSZRJFAPSA-N 1 0 384.520 4.042 20 0 GIADRO CC(=O)N1CC[C@@H](C[N@H+](C)C/C=C/c2ccc(OCc3ccccc3)cc2)C1 ZINC000459372758 823175367 /nfs/dbraw/zinc/17/53/67/823175367.db2.gz ZSFCZLRUPXAMGJ-CJHOVAGGSA-N 1 0 378.516 4.079 20 0 GIADRO CCOc1cc(C[NH2+]Cc2ccnc(OCC(F)(F)F)c2)cc(Cl)c1O ZINC000459373897 823175709 /nfs/dbraw/zinc/17/57/09/823175709.db2.gz KSZOMDHQGJTMCQ-UHFFFAOYSA-N 1 0 390.789 4.070 20 0 GIADRO Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000188042022 823175964 /nfs/dbraw/zinc/17/59/64/823175964.db2.gz ZZRMMOUHVAPXFJ-MLGOLLRUSA-N 1 0 395.425 4.224 20 0 GIADRO CCCCOc1cc(OCCC)ccc1C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000188042821 823176330 /nfs/dbraw/zinc/17/63/30/823176330.db2.gz KJPPQIONMNGTLH-QZTJIDSGSA-N 1 0 376.541 4.209 20 0 GIADRO O=C(N[C@@H](c1ccccc1)[C@H]1CCCO1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176304557 823176973 /nfs/dbraw/zinc/17/69/73/823176973.db2.gz FWGNFQKGMIWCKT-YADHBBJMSA-N 1 0 385.552 4.003 20 0 GIADRO CO[C@H]1CCN(Cc2ccc(-c3ccc(C(F)(F)F)cc3)s2)[C@H](C[NH3+])C1 ZINC000571403545 823178042 /nfs/dbraw/zinc/17/80/42/823178042.db2.gz LFQCBHGQHNRRFF-HOTGVXAUSA-N 1 0 384.467 4.372 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@H]2CCOc3c(F)cccc32)cc1Cn1cccn1 ZINC000188055087 823178525 /nfs/dbraw/zinc/17/85/25/823178525.db2.gz CBDBYWRENAQSJV-QRWLVFNGSA-N 1 0 381.451 4.254 20 0 GIADRO CCOc1ccc(C(=O)N2CCC([NH2+]CCc3ccc(Cl)cc3)CC2)cc1 ZINC000459383634 823178908 /nfs/dbraw/zinc/17/89/08/823178908.db2.gz UMHFJIZGMWJSAL-UHFFFAOYSA-N 1 0 386.923 4.176 20 0 GIADRO Cc1ccc(C)c(OC2CCN(C(=O)Nc3cccc(C[NH+](C)C)c3)CC2)c1 ZINC000056621285 823183071 /nfs/dbraw/zinc/18/30/71/823183071.db2.gz XAHVPKPIIIAQIY-UHFFFAOYSA-N 1 0 381.520 4.440 20 0 GIADRO Cc1nc(-c2ccc(C[NH2+]Cc3ccccc3N3CCO[C@H](C)C3)o2)cs1 ZINC000459385255 823179657 /nfs/dbraw/zinc/17/96/57/823179657.db2.gz WZBUQIAWCMHOIH-OAHLLOKOSA-N 1 0 383.517 4.226 20 0 GIADRO CC(C)n1cnnc1-c1ccccc1NC(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000176314215 823179907 /nfs/dbraw/zinc/17/99/07/823179907.db2.gz KAOYJPHLXBQGNY-UHFFFAOYSA-N 1 0 398.555 4.112 20 0 GIADRO CC(=O)Nc1ccc(Cl)c(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000176315214 823180150 /nfs/dbraw/zinc/18/01/50/823180150.db2.gz FUTFPANVTDSTGN-UHFFFAOYSA-N 1 0 392.931 4.217 20 0 GIADRO CC(C)CC(=O)Nc1cccc(C[NH2+]Cc2ccccc2N2CCO[C@@H](C)C2)c1 ZINC000459388171 823180199 /nfs/dbraw/zinc/18/01/99/823180199.db2.gz OEPJBFPDDDQYSF-IBGZPJMESA-N 1 0 395.547 4.186 20 0 GIADRO Cc1cccc2[nH]cc(CCNC(=O)NC3CC[NH+](C4CCCCC4)CC3)c21 ZINC000176321646 823181572 /nfs/dbraw/zinc/18/15/72/823181572.db2.gz KIERHESHXHZJIM-UHFFFAOYSA-N 1 0 382.552 4.115 20 0 GIADRO C[C@@H]1CN(c2ccccc2C[NH2+]Cc2cc(Br)cs2)CCO1 ZINC000459393424 823181712 /nfs/dbraw/zinc/18/17/12/823181712.db2.gz QYTPPIFHYHYDHI-CYBMUJFWSA-N 1 0 381.339 4.026 20 0 GIADRO Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000571432524 823181800 /nfs/dbraw/zinc/18/18/00/823181800.db2.gz MWFLXRPZYOSQNQ-ZWNOBZJWSA-N 1 0 382.291 4.075 20 0 GIADRO CC(C)Oc1ccc2ccccc2c1CNC(=O)NCc1ccc(C[NH3+])cc1 ZINC000571439437 823182895 /nfs/dbraw/zinc/18/28/95/823182895.db2.gz MVBABFLHDRXJAX-UHFFFAOYSA-N 1 0 377.488 4.085 20 0 GIADRO COCc1c(Br)cccc1NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000176346377 823188533 /nfs/dbraw/zinc/18/85/33/823188533.db2.gz NHJALRMRZUSPNY-AWEZNQCLSA-N 1 0 395.341 4.189 20 0 GIADRO O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)N1CCC[C@@H]1c1ccccn1 ZINC000056623506 823184013 /nfs/dbraw/zinc/18/40/13/823184013.db2.gz QMXDCNCNMJSKRR-NHCUHLMSSA-N 1 0 398.938 4.419 20 0 GIADRO COc1ccc(C[C@H](C)[NH2+]Cc2c(C)nc3scc(C4CC4)n23)cc1OC ZINC000459401581 823184439 /nfs/dbraw/zinc/18/44/39/823184439.db2.gz DKHUVSVWLPITAN-ZDUSSCGKSA-N 1 0 385.533 4.320 20 0 GIADRO Clc1ccc(C2(C[NH2+]C3CCN(C4CC4)CC3)CCOCC2)c(Cl)c1 ZINC000459401398 823184467 /nfs/dbraw/zinc/18/44/67/823184467.db2.gz XQCMKVPRGPMTPD-UHFFFAOYSA-N 1 0 383.363 4.258 20 0 GIADRO COc1ccc(C[C@@H](C)[NH2+]Cc2c(C)nc3scc(C4CC4)n23)cc1OC ZINC000459401576 823184508 /nfs/dbraw/zinc/18/45/08/823184508.db2.gz DKHUVSVWLPITAN-CYBMUJFWSA-N 1 0 385.533 4.320 20 0 GIADRO c1c(CN[C@H]2CC[N@@H+](C3CCCC3)C2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459401731 823184548 /nfs/dbraw/zinc/18/45/48/823184548.db2.gz DUOCIVBOEDKEBW-IBGZPJMESA-N 1 0 379.552 4.167 20 0 GIADRO CCCC[C@@H](NC1CC[NH+](C2CC2)CC1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000459404211 823185436 /nfs/dbraw/zinc/18/54/36/823185436.db2.gz RPJQDWDSWWXNEF-HSZRJFAPSA-N 1 0 398.595 4.001 20 0 GIADRO CN(CCC(F)(F)F)[C@@H](C[NH2+][C@H]1CCOC1(C)C)c1ccc(Cl)cc1 ZINC000571456068 823185604 /nfs/dbraw/zinc/18/56/04/823185604.db2.gz FRPRUQQSAZVZNW-HOTGVXAUSA-N 1 0 378.866 4.422 20 0 GIADRO C[C@@H](C[NH2+]Cc1cnc(C2CC2)nc1)Sc1ccc(Br)cc1 ZINC000459406101 823185801 /nfs/dbraw/zinc/18/58/01/823185801.db2.gz UCYRGYYUOOYDOU-LBPRGKRZSA-N 1 0 378.339 4.387 20 0 GIADRO O[C@]1(C[NH2+][C@@H](c2ccc(Br)cc2Cl)C2CC2)CCSC1 ZINC000188106132 823187425 /nfs/dbraw/zinc/18/74/25/823187425.db2.gz SXBBAAUVBXRTFA-CABCVRRESA-N 1 0 376.747 4.011 20 0 GIADRO CCOc1cc(CNC[C@H]2CC[N@H+](CCc3ccccc3)C2)cc(Cl)c1O ZINC000459413933 823187669 /nfs/dbraw/zinc/18/76/69/823187669.db2.gz YEGSFLQFTMYVBR-GOSISDBHSA-N 1 0 388.939 4.099 20 0 GIADRO C[C@H]1CN(c2ccccc2C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)CCO1 ZINC000459416741 823187980 /nfs/dbraw/zinc/18/79/80/823187980.db2.gz CKJNWVTZQUWFSM-SFHVURJKSA-N 1 0 396.531 4.157 20 0 GIADRO C[C@@H]1CN(c2ccccc2C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CCO1 ZINC000459416437 823187985 /nfs/dbraw/zinc/18/79/85/823187985.db2.gz CEWXDGKFUIKGGT-IMSXRSKXSA-N 1 0 393.575 4.054 20 0 GIADRO CCC(=O)N1CC[C@@H]([NH2+][C@@H](c2ccc(Br)cc2Cl)C2CC2)C1 ZINC000188156296 823195391 /nfs/dbraw/zinc/19/53/91/823195391.db2.gz LPDQTBNNWDXJAQ-CXAGYDPISA-N 1 0 385.733 4.154 20 0 GIADRO CCOc1cc(C[NH2+][C@H](C)[C@@H]2COc3ccccc32)cc(Br)c1O ZINC000459428541 823190191 /nfs/dbraw/zinc/19/01/91/823190191.db2.gz BESVIRQYCYGGFJ-DOMZBBRYSA-N 1 0 392.293 4.208 20 0 GIADRO CCOc1ccc(NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c(C)c1 ZINC000571486146 823190241 /nfs/dbraw/zinc/19/02/41/823190241.db2.gz QZIWIDHXXVBUKR-RTWAWAEBSA-N 1 0 393.531 4.380 20 0 GIADRO CCOc1ccccc1CN(CCCn1ccnc1)C(=O)Nc1ccncc1C ZINC000121475824 823191553 /nfs/dbraw/zinc/19/15/53/823191553.db2.gz PMSCPEQIQLHNLX-UHFFFAOYSA-N 1 0 393.491 4.110 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1C[NH+]1CCC(n2cc(Cl)cn2)CC1 ZINC000459458133 823196048 /nfs/dbraw/zinc/19/60/48/823196048.db2.gz GJLDAJURVOJGAG-UHFFFAOYSA-N 1 0 375.929 4.269 20 0 GIADRO CC(C)c1cccc(C(C)C)c1NC(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000176369263 823192929 /nfs/dbraw/zinc/19/29/29/823192929.db2.gz YTEXGYYKSYXSIA-UHFFFAOYSA-N 1 0 399.579 4.395 20 0 GIADRO CC(=O)N1CC[C@@H]([NH2+]Cc2c(C)nc3scc(C4CC4)n23)c2ccccc21 ZINC000459443466 823193029 /nfs/dbraw/zinc/19/30/29/823193029.db2.gz PYASEOVBUUNGIT-QGZVFWFLSA-N 1 0 380.517 4.169 20 0 GIADRO CCOc1cc(C[NH2+][C@H]2CSc3ccccc32)cc(Br)c1O ZINC000459443674 823193242 /nfs/dbraw/zinc/19/32/42/823193242.db2.gz LCAAZYIPSGJVFD-AWEZNQCLSA-N 1 0 380.307 4.490 20 0 GIADRO CCOc1cc(C[NH2+]Cc2ccc(C)cc2O[C@H]2CCOC2)cc(Cl)c1O ZINC000459445333 823193554 /nfs/dbraw/zinc/19/35/54/823193554.db2.gz SHYPOMZWSRRMGZ-KRWDZBQOSA-N 1 0 391.895 4.210 20 0 GIADRO Clc1cccnc1OCC[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459446061 823193721 /nfs/dbraw/zinc/19/37/21/823193721.db2.gz SQMYZSDUSRDGQJ-UHFFFAOYSA-N 1 0 397.910 4.277 20 0 GIADRO CC(=O)Nc1c(C)ccc(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000056691569 823194130 /nfs/dbraw/zinc/19/41/30/823194130.db2.gz KOZOJPUOYFHJQH-UHFFFAOYSA-N 1 0 394.519 4.048 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+]C[C@H](C[C@@H](C)O)c2ccccc2)[C@H]1Sc1ccccc1 ZINC000459453537 823195229 /nfs/dbraw/zinc/19/52/29/823195229.db2.gz XMZSZUYNSDDXRF-OVHBNXAFSA-N 1 0 385.573 4.469 20 0 GIADRO Cc1ccc([C@H](C)NC(=O)C[NH+]2CCC(c3c[nH]c4ncccc34)CC2)cc1C ZINC000571563907 823201001 /nfs/dbraw/zinc/20/10/01/823201001.db2.gz UIPGHHZCBWIAOD-SFHVURJKSA-N 1 0 390.531 4.237 20 0 GIADRO CC1(C)C[NH2+]CC[C@H]1NC(=O)CCc1c2ccccc2[nH]c1-c1ccc(F)cc1 ZINC000571532388 823196907 /nfs/dbraw/zinc/19/69/07/823196907.db2.gz DAVKFYDNQHFDJT-OAQYLSRUSA-N 1 0 393.506 4.411 20 0 GIADRO CCCN(C(=O)Nc1ccc(Cl)c(C(=O)NCC[NH+](CC)CC)c1)C(C)C ZINC000571535038 823197062 /nfs/dbraw/zinc/19/70/62/823197062.db2.gz JLYWSAQSQNLPEV-UHFFFAOYSA-N 1 0 396.963 4.064 20 0 GIADRO COc1ccc2c(c1)[C@@H]([NH2+]CCOc1cccc(NC(C)=O)c1)CCCS2 ZINC000188173618 823197835 /nfs/dbraw/zinc/19/78/35/823197835.db2.gz WVHRWQYXKDRBGX-FQEVSTJZSA-N 1 0 386.517 4.249 20 0 GIADRO CCN(C[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C(C)C)C1)CC(F)(F)F ZINC000176403952 823201189 /nfs/dbraw/zinc/20/11/89/823201189.db2.gz SPTGVBLZLKCWFA-DLBZAZTESA-N 1 0 399.501 4.343 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccc(Br)s2)C1)CC(F)(F)F ZINC000176396073 823198583 /nfs/dbraw/zinc/19/85/83/823198583.db2.gz CWVNXRFHOASXAS-LLVKDONJSA-N 1 0 385.293 4.217 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2)C1)CC(F)(F)F ZINC000176398412 823199505 /nfs/dbraw/zinc/19/95/05/823199505.db2.gz KGYOIXNOQURVNX-OAHLLOKOSA-N 1 0 398.391 4.334 20 0 GIADRO CC(C)Oc1ccc([C@@H](CNC(=O)c2cncc3ccccc32)[NH+](C)C)cc1 ZINC000571552724 823199530 /nfs/dbraw/zinc/19/95/30/823199530.db2.gz CBUHNWKKVGBJRT-JOCHJYFZSA-N 1 0 377.488 4.055 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+]CC1(N3CCCCC3)CCOCC1)CCCS2 ZINC000188189430 823200659 /nfs/dbraw/zinc/20/06/59/823200659.db2.gz XISJAUMKUGQUSW-HXUWFJFHSA-N 1 0 390.593 4.247 20 0 GIADRO Cc1nc(-c2cccc(NC(=O)NCC[N@@H+]3CCc4ccccc4C3)c2)oc1C ZINC000056731333 823201921 /nfs/dbraw/zinc/20/19/21/823201921.db2.gz WXLHDKSJJJUQBB-UHFFFAOYSA-N 1 0 390.487 4.138 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2cc(Br)cs2)C1)CC(F)(F)F ZINC000176408188 823202088 /nfs/dbraw/zinc/20/20/88/823202088.db2.gz FKSIEZYNYKSWOR-NSHDSACASA-N 1 0 385.293 4.217 20 0 GIADRO CCCN(CCC)C(=O)c1ccc(NC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000459505435 823206399 /nfs/dbraw/zinc/20/63/99/823206399.db2.gz DXDJOIGCUBAEBU-UHFFFAOYSA-N 1 0 380.536 4.425 20 0 GIADRO OCC[C@H]([NH2+]C/C=C/c1ccc(OCc2ccccc2)cc1)C1CCOCC1 ZINC000459484651 823202360 /nfs/dbraw/zinc/20/23/60/823202360.db2.gz UOIZDVSAACEFGL-BSBODGDASA-N 1 0 381.516 4.046 20 0 GIADRO CCOc1cc(C[N@H+](C)C[C@@H](C)c2nccs2)cc(Br)c1O ZINC000459488386 823202870 /nfs/dbraw/zinc/20/28/70/823202870.db2.gz UNTBZTXUPVEDME-LLVKDONJSA-N 1 0 385.327 4.245 20 0 GIADRO COc1ccc(-c2ccccc2C)cc1C[NH2+][C@@H]1CCO[C@@H](c2cncn2C)C1 ZINC000459489065 823203033 /nfs/dbraw/zinc/20/30/33/823203033.db2.gz PWAFEZVDWKELLH-HYBUGGRVSA-N 1 0 391.515 4.414 20 0 GIADRO C[C@@H]1C[C@H](CCNC(=O)c2ccoc2C(F)(F)F)C[N@@H+]1Cc1ccccc1 ZINC000571575368 823203076 /nfs/dbraw/zinc/20/30/76/823203076.db2.gz GJVRIVSIIUCZDG-ZBFHGGJFSA-N 1 0 380.410 4.329 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC000459492115 823203534 /nfs/dbraw/zinc/20/35/34/823203534.db2.gz ZSDPZRWJOXTCOF-UHFFFAOYSA-N 1 0 393.463 4.158 20 0 GIADRO CCCCOc1ccccc1NC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000056750095 823206647 /nfs/dbraw/zinc/20/66/47/823206647.db2.gz FURQSPPTMSBGPZ-UHFFFAOYSA-N 1 0 382.508 4.047 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1cnn(C(C)C)c1C1CC1)c1cccc(OC)c1 ZINC000121552331 823204319 /nfs/dbraw/zinc/20/43/19/823204319.db2.gz OWSNIDYDMVIRJB-OAQYLSRUSA-N 1 0 398.551 4.163 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2C[C@H]2c2cc(OC)ccc2OC)c1 ZINC000188218007 823204815 /nfs/dbraw/zinc/20/48/15/823204815.db2.gz QHIUHOSBXOAVRX-FPOVZHCZSA-N 1 0 382.504 4.288 20 0 GIADRO Cc1oc(-c2ccccc2)c(C(=O)NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1C ZINC000188216747 823204882 /nfs/dbraw/zinc/20/48/82/823204882.db2.gz MMTMLTGAGXUHDU-IAGOWNOFSA-N 1 0 384.520 4.183 20 0 GIADRO CN1CC[C@H]([NH2+]Cc2ncc(-c3ccccc3F)o2)[C@@H]1c1ccc(F)c(F)c1 ZINC000571604532 823206794 /nfs/dbraw/zinc/20/67/94/823206794.db2.gz URLPVBGKEVADDU-RXVVDRJESA-N 1 0 387.405 4.294 20 0 GIADRO Cc1ccc(Br)cc1C[NH2+]Cc1ccccc1N1CCO[C@@H](C)C1 ZINC000459499398 823205097 /nfs/dbraw/zinc/20/50/97/823205097.db2.gz AHYGFDCHCYKISL-INIZCTEOSA-N 1 0 389.337 4.272 20 0 GIADRO C[C@@H](c1ccccn1)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000459500638 823205456 /nfs/dbraw/zinc/20/54/56/823205456.db2.gz DPNPUECAMHMOLL-SFHVURJKSA-N 1 0 384.955 4.083 20 0 GIADRO CCc1c(NC(=O)N(CC[NH+](C)C)Cc2ccsc2)cnn1-c1ccccc1 ZINC000459502019 823205639 /nfs/dbraw/zinc/20/56/39/823205639.db2.gz IXFIGBHDWILCEV-UHFFFAOYSA-N 1 0 397.548 4.092 20 0 GIADRO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)Cc1ccc(C2CC2)cc1 ZINC000459501658 823205853 /nfs/dbraw/zinc/20/58/53/823205853.db2.gz ODHNOFZFQKJOOY-QGZVFWFLSA-N 1 0 384.545 4.297 20 0 GIADRO C[C@@H]1CN(C/C=C\c2ccc(OCc3ccccc3)cc2)CC[N@@H+]1CC(C)(C)O ZINC000459509756 823207629 /nfs/dbraw/zinc/20/76/29/823207629.db2.gz LKZSWRPIVSCBKU-PWYGHMFVSA-N 1 0 394.559 4.056 20 0 GIADRO CC1CC[NH+]([C@H](CNC(=O)N2CCC(F)(F)[C@@H](C)C2)c2cccs2)CC1 ZINC000571609656 823208253 /nfs/dbraw/zinc/20/82/53/823208253.db2.gz YPOLDDSVMOZNED-JKSUJKDBSA-N 1 0 385.524 4.208 20 0 GIADRO FC(F)(F)Oc1cccc(C2([NH2+]Cc3cnc(C4CC4)nc3)CCOCC2)c1 ZINC000459514038 823208657 /nfs/dbraw/zinc/20/86/57/823208657.db2.gz LKDNQWNWAISMNQ-UHFFFAOYSA-N 1 0 393.409 4.048 20 0 GIADRO CC1(C)[NH2+]CC[C@@H]1NC(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1 ZINC000571612191 823208907 /nfs/dbraw/zinc/20/89/07/823208907.db2.gz IZQJMBWZPGCXTI-KRWDZBQOSA-N 1 0 397.569 4.338 20 0 GIADRO CC[C@H](C(=O)N1CCC([NH2+][C@H](C)c2cccc(CO)c2)CC1)c1ccccc1 ZINC000121575353 823209061 /nfs/dbraw/zinc/20/90/61/823209061.db2.gz KNVFUTNUTHVJER-JPYJTQIMSA-N 1 0 380.532 4.014 20 0 GIADRO CCC(=O)N1CC[C@@H]([NH2+][C@H](c2ccccc2)c2ccc(Br)cc2)C1 ZINC000188250051 823209348 /nfs/dbraw/zinc/20/93/48/823209348.db2.gz KDHPKHXEPUFJIZ-UYAOXDASSA-N 1 0 387.321 4.139 20 0 GIADRO COc1cc(NC(=O)CC[N@H+](C)[C@@H](C)Cc2ccsc2)c(OC)cc1Cl ZINC000176451172 823210389 /nfs/dbraw/zinc/21/03/89/823210389.db2.gz DUHQUNOSFWQGRX-ZDUSSCGKSA-N 1 0 396.940 4.310 20 0 GIADRO COCCC[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(O)c1Br ZINC000459523060 823210688 /nfs/dbraw/zinc/21/06/88/823210688.db2.gz ITDBBGPNBSVDAF-KRWDZBQOSA-N 1 0 378.310 4.282 20 0 GIADRO COCCc1ccc(OC[C@H](O)C[N@H+](C)[C@H](C)c2cc3ccccc3o2)cc1 ZINC000571623515 823211028 /nfs/dbraw/zinc/21/10/28/823211028.db2.gz BKYZZFINPNIGCJ-YLJYHZDGSA-N 1 0 383.488 4.054 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000121584173 823211096 /nfs/dbraw/zinc/21/10/96/823211096.db2.gz GPNTWJWHUDDINF-OALUTQOASA-N 1 0 397.567 4.196 20 0 GIADRO c1[nH]nc2cc(CC[NH2+]Cc3cn(C4CCCC4)nc3-c3ccccn3)ccc12 ZINC000459525389 823211211 /nfs/dbraw/zinc/21/12/11/823211211.db2.gz MXAARURKKSKMIH-UHFFFAOYSA-N 1 0 386.503 4.269 20 0 GIADRO CCOc1cc(C[NH2+][C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)ccc1O ZINC000459525534 823211360 /nfs/dbraw/zinc/21/13/60/823211360.db2.gz KVKVGHUBBMZNLN-HNNXBMFYSA-N 1 0 389.801 4.286 20 0 GIADRO CCOc1cc(C[NH2+][C@H](CO)c2ccc(Cl)cc2C(F)(F)F)ccc1O ZINC000459525535 823211508 /nfs/dbraw/zinc/21/15/08/823211508.db2.gz KVKVGHUBBMZNLN-OAHLLOKOSA-N 1 0 389.801 4.286 20 0 GIADRO C[C@@]1(C2CC2)NC(=O)N(c2cccc(C[NH2+]Cc3ccc(C4CC4)cc3)c2)C1=O ZINC000459529879 823212797 /nfs/dbraw/zinc/21/27/97/823212797.db2.gz SWVKGQVPMYNZPA-DEOSSOPVSA-N 1 0 389.499 4.079 20 0 GIADRO COc1ccc2c(c1)C1(CC1)CN(C(=O)C[C@@H](c1ncc[nH]1)c1ccccc1)C2 ZINC000571635878 823213015 /nfs/dbraw/zinc/21/30/15/823213015.db2.gz WSTHWXYRSKVWFQ-HXUWFJFHSA-N 1 0 387.483 4.014 20 0 GIADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)Nc1ccc(-c2csnn2)cc1 ZINC000056786700 823213143 /nfs/dbraw/zinc/21/31/43/823213143.db2.gz RJPAMYCMTJSXGV-KRWDZBQOSA-N 1 0 399.545 4.225 20 0 GIADRO Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000459532561 823213205 /nfs/dbraw/zinc/21/32/05/823213205.db2.gz UKCGCUFQYBLTRI-UXHICEINSA-N 1 0 392.543 4.125 20 0 GIADRO CCOc1cc(CN[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)cc(Cl)c1O ZINC000459533192 823213591 /nfs/dbraw/zinc/21/35/91/823213591.db2.gz FFJWTFJYGQKGNA-KRWDZBQOSA-N 1 0 383.319 4.490 20 0 GIADRO COc1cc([C@H](C)NCc2[nH+]c(C(C)C)n3ccccc23)cc(OC)c1OC ZINC000571647248 823213972 /nfs/dbraw/zinc/21/39/72/823213972.db2.gz NPCHGBWZUXZNQB-HNNXBMFYSA-N 1 0 383.492 4.334 20 0 GIADRO O=c1cc(C[NH2+][C@@H]2c3ccccc3CC23CCOCC3)nc(-c2ccccc2)[nH]1 ZINC000459535037 823214233 /nfs/dbraw/zinc/21/42/33/823214233.db2.gz PKKYFBWEIMGZQS-JOCHJYFZSA-N 1 0 387.483 4.033 20 0 GIADRO c1c(C[NH+]2CCC([C@@H]3CCCO3)CC2)c(-c2cccnc2)nn1-c1ccccc1 ZINC000188286228 823214376 /nfs/dbraw/zinc/21/43/76/823214376.db2.gz QDPAGUISAJVCEL-QHCPKHFHSA-N 1 0 388.515 4.325 20 0 GIADRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1cccnc1OCC(F)F)CCCS2 ZINC000188288226 823214655 /nfs/dbraw/zinc/21/46/55/823214655.db2.gz YLVUVWSROFESDV-INIZCTEOSA-N 1 0 380.460 4.451 20 0 GIADRO CC(C)[C@@H](NC(=O)N1CCC(C[N@H+](C)C(C)C)CC1)c1nc2ccccc2[nH]1 ZINC000056791699 823214740 /nfs/dbraw/zinc/21/47/40/823214740.db2.gz BESDRJIBWNXIGQ-HXUWFJFHSA-N 1 0 385.556 4.022 20 0 GIADRO O[C@@H]1[C@H](C[NH2+]Cc2c(OC(F)F)ccc3ccccc32)CCC12CCOCC2 ZINC000571659591 823215484 /nfs/dbraw/zinc/21/54/84/823215484.db2.gz ZRPMFGUQWKNXNV-OXJNMPFZSA-N 1 0 391.458 4.099 20 0 GIADRO C[N@H+](C/C=C/c1ccc(OCc2ccccc2)cc1)C1(CCO)CCOCC1 ZINC000459550347 823218221 /nfs/dbraw/zinc/21/82/21/823218221.db2.gz JATHNQUMWZCWKG-VMPITWQZSA-N 1 0 381.516 4.142 20 0 GIADRO Cc1ccc([C@H](OC[C@H](O)C[N@H+](C)CCc2ccccn2)c2ccccc2)cc1 ZINC000121624778 823218257 /nfs/dbraw/zinc/21/82/57/823218257.db2.gz HCQZYFSRISIMDG-JWQCQUIFSA-N 1 0 390.527 4.031 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)NC1CCC(OC(C)C)CC1)c1ccsc1 ZINC000121625537 823218267 /nfs/dbraw/zinc/21/82/67/823218267.db2.gz OMQDRFHHZDFXFO-CTWPCTMYSA-N 1 0 381.586 4.166 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@H](C)c2ccc(NC(=O)NC3CC3)cc2)c1 ZINC000121617881 823216866 /nfs/dbraw/zinc/21/68/66/823216866.db2.gz GOIQMVVQANZQPY-HUUCEWRRSA-N 1 0 380.492 4.341 20 0 GIADRO COc1cccc(OC)c1OC[C@@H](O)C[N@@H+]1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000459573518 823222939 /nfs/dbraw/zinc/22/29/39/823222939.db2.gz RBEAPWITXLVCQA-WMZHIEFXSA-N 1 0 397.515 4.061 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1C[NH2+][C@H](c1cccs1)C(C)(C)CO ZINC000459556954 823219789 /nfs/dbraw/zinc/21/97/89/823219789.db2.gz BYFJBBJTOMEJID-QGZVFWFLSA-N 1 0 375.563 4.493 20 0 GIADRO CC[C@]1(C[NH2+][C@@H](C)c2ccc(NC(C)=O)cc2OC)OCCc2ccccc21 ZINC000571694737 823220230 /nfs/dbraw/zinc/22/02/30/823220230.db2.gz MHQNBOJZICWUKR-QMHKHESXSA-N 1 0 382.504 4.182 20 0 GIADRO C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)C1CC1 ZINC000121638504 823220593 /nfs/dbraw/zinc/22/05/93/823220593.db2.gz SVGPJWJDLUYMNS-LSDHHAIUSA-N 1 0 395.469 4.425 20 0 GIADRO C[C@@H](c1cc(F)ccc1F)N(C)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176494438 823220732 /nfs/dbraw/zinc/22/07/32/823220732.db2.gz WRFWVPHFCMMQPA-HNNXBMFYSA-N 1 0 379.495 4.464 20 0 GIADRO CCCCOc1cccc(CNC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000056847680 823223071 /nfs/dbraw/zinc/22/30/71/823223071.db2.gz CXSUJGFRUKTEFK-UHFFFAOYSA-N 1 0 375.557 4.127 20 0 GIADRO Cc1cc(C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)sc1-c1ccccc1 ZINC000571698551 823220982 /nfs/dbraw/zinc/22/09/82/823220982.db2.gz RPCQQEHQESRLSB-IPMKNSEASA-N 1 0 384.545 4.047 20 0 GIADRO C[C@H]1C[C@@H]1[N@@H+]1CCN(Cc2cn(C3CCCC3)nc2-c2ccccn2)C[C@@H](C)C1 ZINC000459563783 823221312 /nfs/dbraw/zinc/22/13/12/823221312.db2.gz VKNZFVYXUDBMLH-MSYCTHLASA-N 1 0 393.579 4.222 20 0 GIADRO O=C1CCCN1[C@H]1CCC[C@H]([NH2+]Cc2cccc(OCc3ccccc3)c2)C1 ZINC000571703228 823221509 /nfs/dbraw/zinc/22/15/09/823221509.db2.gz ZNJVMZJYPOWNON-VXKWHMMOSA-N 1 0 378.516 4.289 20 0 GIADRO CCO[C@@H]1C[C@@H]([NH2+]CCc2nnc(C(C)C)s2)[C@H]1Sc1ccccc1 ZINC000459567067 823222043 /nfs/dbraw/zinc/22/20/43/823222043.db2.gz ZWEGKRKAZFPLGG-JFIYKMOQSA-N 1 0 377.579 4.132 20 0 GIADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459567835 823222055 /nfs/dbraw/zinc/22/20/55/823222055.db2.gz WLVLSJLOZIELQY-GCJKJVERSA-N 1 0 379.552 4.119 20 0 GIADRO O=C(Nc1ccc2c(c1)CCCC(=O)N2)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121650042 823222525 /nfs/dbraw/zinc/22/25/25/823222525.db2.gz CHQJJEPPNUGTER-UHFFFAOYSA-N 1 0 398.551 4.081 20 0 GIADRO COc1ccc(CN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)C2CC2)cc1 ZINC000176501767 823222674 /nfs/dbraw/zinc/22/26/74/823222674.db2.gz UPFJIOJNHNMZGC-UHFFFAOYSA-N 1 0 385.552 4.166 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cc(Cl)cc3cccnc32)C1 ZINC000409454674 823222705 /nfs/dbraw/zinc/22/27/05/823222705.db2.gz SYDCFOGOAXNCLW-DNVCBOLYSA-N 1 0 379.891 4.454 20 0 GIADRO CC(C)[NH+]1CCN(CCCSc2nnc(-c3cccc4ccccc43)o2)CC1 ZINC000188317430 823218555 /nfs/dbraw/zinc/21/85/55/823218555.db2.gz LLKIQNIVBNOXKB-UHFFFAOYSA-N 1 0 396.560 4.398 20 0 GIADRO CC(C)Cn1ncc(NC(=O)N(CC[NH+](C)C)Cc2ccsc2)c1C1CC1 ZINC000459570550 823222770 /nfs/dbraw/zinc/22/27/70/823222770.db2.gz MGILANMYDVALMR-UHFFFAOYSA-N 1 0 389.569 4.074 20 0 GIADRO C[NH+](C)CCC1CCN(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000056816868 823218819 /nfs/dbraw/zinc/21/88/19/823218819.db2.gz OUJZOLUQKUIOLG-QGZVFWFLSA-N 1 0 381.973 4.250 20 0 GIADRO CCc1nc2ccccc2n1C1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC000571688731 823219186 /nfs/dbraw/zinc/21/91/86/823219186.db2.gz NCHMZAKSICSFMW-UHFFFAOYSA-N 1 0 379.504 4.453 20 0 GIADRO COc1ccc(-c2ccccc2C)cc1C[N@@H+]1CCC[C@H](CCNC(C)=O)C1 ZINC000459554762 823219214 /nfs/dbraw/zinc/21/92/14/823219214.db2.gz AUGBBAFYGDRAJZ-HXUWFJFHSA-N 1 0 380.532 4.409 20 0 GIADRO COc1ccc(-c2ccccc2C)cc1C[N@@H+]1CCC[C@@H](CCNC(C)=O)C1 ZINC000459554761 823219248 /nfs/dbraw/zinc/21/92/48/823219248.db2.gz AUGBBAFYGDRAJZ-FQEVSTJZSA-N 1 0 380.532 4.409 20 0 GIADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CC[C@H](COCc2ccccc2)C1 ZINC000176488290 823219279 /nfs/dbraw/zinc/21/92/79/823219279.db2.gz CAPBPWRRYDVAFW-NRFANRHFSA-N 1 0 399.579 4.032 20 0 GIADRO CCOc1cc(C[NH+]2CCC3(CCC(O)CC3)CC2)cc(Br)c1O ZINC000459574086 823223407 /nfs/dbraw/zinc/22/34/07/823223407.db2.gz SSORKHCDKREIKB-UHFFFAOYSA-N 1 0 398.341 4.071 20 0 GIADRO Brc1ccnc2c(NC3CCN(c4cc[nH+]cc4)CC3)cccc12 ZINC000459574134 823223424 /nfs/dbraw/zinc/22/34/24/823223424.db2.gz RRTRBVCLPZTPTP-UHFFFAOYSA-N 1 0 383.293 4.473 20 0 GIADRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccccc1C(C)(C)C ZINC000188350215 823223816 /nfs/dbraw/zinc/22/38/16/823223816.db2.gz HTUFWLRFCGKFOP-XMMPIXPASA-N 1 0 395.547 4.085 20 0 GIADRO O[C@@H]1C[C@H]([C@@H]2CCCOC2)[N@H+](C/C=C\c2ccc(OCc3ccccc3)cc2)C1 ZINC000459576863 823224054 /nfs/dbraw/zinc/22/40/54/823224054.db2.gz LIIZQBZFLVDICH-CAFNADMSSA-N 1 0 393.527 4.141 20 0 GIADRO CCOc1cc(C[NH2+]C2(Cc3ccc(F)cc3)CCOCC2)cc(Cl)c1O ZINC000459579737 823224536 /nfs/dbraw/zinc/22/45/36/823224536.db2.gz AEKAGQIKTMNJDL-UHFFFAOYSA-N 1 0 393.886 4.465 20 0 GIADRO COc1ccc(-c2ccc(CNC(=O)N3CC[C@H](C[NH+]4CCCC4)C3)s2)cc1 ZINC000176520464 823228136 /nfs/dbraw/zinc/22/81/36/823228136.db2.gz GYICIAMCAXUFBH-QGZVFWFLSA-N 1 0 399.560 4.051 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)c2cccc(OC)c2OC(F)F)cc1 ZINC000188357096 823225231 /nfs/dbraw/zinc/22/52/31/823225231.db2.gz UHPAEWAYMPDADN-UHFFFAOYSA-N 1 0 378.419 4.391 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)N[C@@H](C)c2ccc(OC(F)F)cc2)CC1 ZINC000056866354 823225568 /nfs/dbraw/zinc/22/55/68/823225568.db2.gz VCBJENFFJQMULU-HNNXBMFYSA-N 1 0 383.483 4.111 20 0 GIADRO COC(=O)c1ccccc1CC[N@@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000459598764 823227627 /nfs/dbraw/zinc/22/76/27/823227627.db2.gz WAHOFWLARKVVAF-SFHVURJKSA-N 1 0 389.293 4.010 20 0 GIADRO C[C@H](C(=O)NCc1cccc(OCC[NH+](C)C)c1)c1ccc(C(F)(F)F)cc1 ZINC000409470360 823227686 /nfs/dbraw/zinc/22/76/86/823227686.db2.gz SHKXLAQBZGOMRG-HNNXBMFYSA-N 1 0 394.437 4.066 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)NCc2ccccc2OC2CCCC2)CC1 ZINC000056893143 823228877 /nfs/dbraw/zinc/22/88/77/823228877.db2.gz QLMCDVKNGBTUHX-UHFFFAOYSA-N 1 0 387.568 4.270 20 0 GIADRO CC1CC[NH+]([C@H](CNC(=O)c2occc2Br)c2cccs2)CC1 ZINC000176526302 823229559 /nfs/dbraw/zinc/22/95/59/823229559.db2.gz UJDLNSXDKCTEEQ-CQSZACIVSA-N 1 0 397.338 4.307 20 0 GIADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccn1-c1c(Cl)cccc1Cl ZINC000409478594 823230241 /nfs/dbraw/zinc/23/02/41/823230241.db2.gz GDBRHGMXMZXZHB-KGLIPLIRSA-N 1 0 378.303 4.141 20 0 GIADRO C[C@H](NC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)c1cccc(OC(F)F)c1 ZINC000056936928 823232880 /nfs/dbraw/zinc/23/28/80/823232880.db2.gz KQQDYOQMJYCWQM-UGSOOPFHSA-N 1 0 395.425 4.090 20 0 GIADRO C[C@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1nc(-c2ccccc2)cs1 ZINC000176541710 823232885 /nfs/dbraw/zinc/23/28/85/823232885.db2.gz VGLCEPRNDAVDNO-MIGBEJBISA-N 1 0 384.549 4.186 20 0 GIADRO COCC1(C)C[NH+](Cc2cn(Cc3ccccc3)nc2-c2ccc(OC)cc2)C1 ZINC000459618548 823230667 /nfs/dbraw/zinc/23/06/67/823230667.db2.gz CIUQMMLGDNESSC-UHFFFAOYSA-N 1 0 391.515 4.075 20 0 GIADRO CC[C@H](C(=O)Nc1ccccc1NC(=O)NC(C)C)[N@H+](C)Cc1ccccc1 ZINC000571772330 823232934 /nfs/dbraw/zinc/23/29/34/823232934.db2.gz MQHHRZLKNJCXFP-HXUWFJFHSA-N 1 0 382.508 4.066 20 0 GIADRO O[C@H](C[NH2+][C@H]1COCc2ccccc21)COC(c1ccccc1)c1ccccc1 ZINC000571755540 823230668 /nfs/dbraw/zinc/23/06/68/823230668.db2.gz GRZCUJPDQDEGPD-VWNXMTODSA-N 1 0 389.495 4.015 20 0 GIADRO O=C(CC[N@@H+]1CCSC2(CCC2)CC1)Nc1ccccc1Br ZINC000411871263 823611685 /nfs/dbraw/zinc/61/16/85/823611685.db2.gz QRCDTLJWZNYUGZ-UHFFFAOYSA-N 1 0 383.355 4.139 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)N(Cc1ccco1)Cc1ccco1)c1ccc(F)cc1 ZINC000056937793 823233069 /nfs/dbraw/zinc/23/30/69/823233069.db2.gz LPZYPPWQIIOSQK-FQEVSTJZSA-N 1 0 385.439 4.026 20 0 GIADRO CC[NH+](CC)CCC[C@H](C)NC(=O)C(C)(C)c1ccccc1Br ZINC000409486197 823232267 /nfs/dbraw/zinc/23/22/67/823232267.db2.gz MKUVFZNJAIXSEM-HNNXBMFYSA-N 1 0 383.374 4.353 20 0 GIADRO COc1cc(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)ccc1Cl ZINC000121696795 823232603 /nfs/dbraw/zinc/23/26/03/823232603.db2.gz NJJRTZHRMDFPIQ-UHFFFAOYSA-N 1 0 378.925 4.052 20 0 GIADRO CC(C)(C)[NH+]1CCC(NC(=O)Nc2cccc(Br)c2Cl)CC1 ZINC000571778964 823233185 /nfs/dbraw/zinc/23/31/85/823233185.db2.gz AQVFHCXDCZKIJB-UHFFFAOYSA-N 1 0 388.737 4.487 20 0 GIADRO CC(=O)Nc1ccc(C)c(C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000188396738 823233353 /nfs/dbraw/zinc/23/33/53/823233353.db2.gz OPVZQTUHXNXVCZ-MRXNPFEDSA-N 1 0 379.504 4.438 20 0 GIADRO CSc1ccc(CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000056943891 823233338 /nfs/dbraw/zinc/23/33/38/823233338.db2.gz RSNRQRKAGIXILE-KRWDZBQOSA-N 1 0 375.563 4.106 20 0 GIADRO CCCc1cc(C(=O)N(C)C2CC[NH+](CCc3ccccn3)CC2)ccc1Cl ZINC000409494111 823234137 /nfs/dbraw/zinc/23/41/37/823234137.db2.gz BYOZQVJVJQGFMN-UHFFFAOYSA-N 1 0 399.966 4.467 20 0 GIADRO CC(C)O[C@H]1C[C@@H]([NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC000459639251 823235064 /nfs/dbraw/zinc/23/50/64/823235064.db2.gz VKHDWPGRZAXZIJ-SZPZYZBQSA-N 1 0 376.504 4.039 20 0 GIADRO C[C@@H](CCCc1cccnc1)[NH2+]CC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000459638086 823235163 /nfs/dbraw/zinc/23/51/63/823235163.db2.gz JABZMCZGRQHPIB-OALUTQOASA-N 1 0 375.516 4.413 20 0 GIADRO CC[NH+](CC)CC1CCN(C(=O)c2sc(Cc3ccccc3)nc2C)CC1 ZINC000056983082 823237544 /nfs/dbraw/zinc/23/75/44/823237544.db2.gz GRXACJZRDADUJQ-UHFFFAOYSA-N 1 0 385.577 4.236 20 0 GIADRO CCOc1ccc(OCC[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)cc1 ZINC000459640475 823235566 /nfs/dbraw/zinc/23/55/66/823235566.db2.gz LFLTUNYVQMIWSG-SFHVURJKSA-N 1 0 387.442 4.145 20 0 GIADRO C[C@H]1CCCN1C(=O)CC[N@@H+]1CCc2nc(-c3ccccc3Cl)sc2C1 ZINC000571797647 823235634 /nfs/dbraw/zinc/23/56/34/823235634.db2.gz QFCFTNNSFLITLJ-AWEZNQCLSA-N 1 0 389.952 4.223 20 0 GIADRO Cc1oc(-c2ccccc2)c(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)c1C ZINC000188408060 823235830 /nfs/dbraw/zinc/23/58/30/823235830.db2.gz DLFZAPNOGHBQCG-UHFFFAOYSA-N 1 0 389.499 4.353 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl)c1nc2c(s1)CCC2 ZINC000459640730 823236091 /nfs/dbraw/zinc/23/60/91/823236091.db2.gz XQXIVQOSQDEYDW-JQWIXIFHSA-N 1 0 387.332 4.029 20 0 GIADRO C[C@@H]([NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)c1nc2c(s1)CCC2 ZINC000459647360 823237694 /nfs/dbraw/zinc/23/76/94/823237694.db2.gz JXJOSMGRVUEQCT-CYBMUJFWSA-N 1 0 389.952 4.241 20 0 GIADRO Cc1cc(Br)cn2c(C[NH2+][C@H](C)CCCc3cccnc3)cnc12 ZINC000459642862 823236258 /nfs/dbraw/zinc/23/62/58/823236258.db2.gz BXOTZQGXBKNKML-OAHLLOKOSA-N 1 0 387.325 4.301 20 0 GIADRO Cc1nc(Cc2ccc(F)cc2)sc1C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000056969119 823236847 /nfs/dbraw/zinc/23/68/47/823236847.db2.gz AUVJGHXKIADBPI-UHFFFAOYSA-N 1 0 389.540 4.032 20 0 GIADRO FC(F)OC[C@H]1CC[N@H+](Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC000571805493 823236886 /nfs/dbraw/zinc/23/68/86/823236886.db2.gz FIHJDJJRPXDNRX-SFHVURJKSA-N 1 0 398.457 4.055 20 0 GIADRO COc1ccc(OCCC[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)cc1 ZINC000459644892 823236951 /nfs/dbraw/zinc/23/69/51/823236951.db2.gz PSOWNHOVLFBWOD-SFHVURJKSA-N 1 0 387.442 4.145 20 0 GIADRO CC[NH+](CC)[C@H](C(=O)NCC(C)(C)C[C@@H](C)O)c1cccc(C(F)(F)F)c1 ZINC000121726775 823238111 /nfs/dbraw/zinc/23/81/11/823238111.db2.gz OZSOATDAVPZQDB-PBHICJAKSA-N 1 0 388.474 4.002 20 0 GIADRO C[C@@H](CCCc1cccnc1)[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000459648679 823238486 /nfs/dbraw/zinc/23/84/86/823238486.db2.gz VAZOVZRZIAHCON-YOEHRIQHSA-N 1 0 383.319 4.129 20 0 GIADRO COc1ccc(C[NH2+][C@@H](C)CCCc2cccnc2)c(Br)c1O ZINC000459648446 823238582 /nfs/dbraw/zinc/23/85/82/823238582.db2.gz LCORJPCVRRCVRR-ZDUSSCGKSA-N 1 0 379.298 4.059 20 0 GIADRO C[C@H](CNC(=O)N1CCC[C@H]1c1nc2ccccc2s1)C[NH+]1CCCCC1 ZINC000057040495 823242475 /nfs/dbraw/zinc/24/24/75/823242475.db2.gz GWZOLSSXZKGVIO-AEFFLSMTSA-N 1 0 386.565 4.265 20 0 GIADRO CC[NH+]1CCC(CNC(=O)c2sc(-c3cccc(Cl)c3)nc2C)CC1 ZINC000057000457 823239139 /nfs/dbraw/zinc/23/91/39/823239139.db2.gz XDGVRFQXLIXXPQ-UHFFFAOYSA-N 1 0 377.941 4.234 20 0 GIADRO CC(C)(C)c1cnc(CCC(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)o1 ZINC000188426083 823239405 /nfs/dbraw/zinc/23/94/05/823239405.db2.gz TVAKNABZGAARPZ-UHFFFAOYSA-N 1 0 383.536 4.028 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cnn(-c3ccccc3C)c2C(C)C)C1 ZINC000188433481 823240457 /nfs/dbraw/zinc/24/04/57/823240457.db2.gz BVWCANVKMBBULD-LJQANCHMSA-N 1 0 382.552 4.108 20 0 GIADRO C[NH+]1CCC(NC(=O)N[C@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000057035067 823241561 /nfs/dbraw/zinc/24/15/61/823241561.db2.gz WJTCAGJGFMXYJV-LJQANCHMSA-N 1 0 392.330 4.476 20 0 GIADRO C[C@H]1C[C@H](NC(=O)CCCc2nc3ccccc3[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000176582945 823241671 /nfs/dbraw/zinc/24/16/71/823241671.db2.gz YMZXXORWCHMZGV-AZUAARDMSA-N 1 0 390.531 4.055 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)c2nc(Cl)ccc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000176583402 823242149 /nfs/dbraw/zinc/24/21/49/823242149.db2.gz GLRUPOHBZYTSNW-UKRRQHHQSA-N 1 0 378.303 4.171 20 0 GIADRO COc1cc2nc(C[N@H+](C)[C@@H]3CCC[C@@H]3c3ccccc3)[nH]c(=O)c2cc1OC ZINC000459671492 823247352 /nfs/dbraw/zinc/24/73/52/823247352.db2.gz GTBQDSPTXNPRAB-VQIMIIECSA-N 1 0 393.487 4.121 20 0 GIADRO CC(C)Oc1cc(Br)ccc1C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000057048116 823243480 /nfs/dbraw/zinc/24/34/80/823243480.db2.gz CBAQNFXJZFHLSI-UHFFFAOYSA-N 1 0 397.357 4.040 20 0 GIADRO COc1ccc(Br)c(C[N@@H+]2CCC[C@H](c3nncn3C(C)C)C2)c1 ZINC000571842751 823243710 /nfs/dbraw/zinc/24/37/10/823243710.db2.gz MFUWNVYXQXZSIE-AWEZNQCLSA-N 1 0 393.329 4.010 20 0 GIADRO COc1ccc(NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1SC ZINC000459661513 823243879 /nfs/dbraw/zinc/24/38/79/823243879.db2.gz QYKKCINGYXTORW-UHFFFAOYSA-N 1 0 385.533 4.335 20 0 GIADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(-c3ccccn3)cc2)[C@H](C)C1 ZINC000571844181 823244144 /nfs/dbraw/zinc/24/41/44/823244144.db2.gz DZINQDHYDXEWHB-WIYYLYMNSA-N 1 0 396.535 4.007 20 0 GIADRO COc1ccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cc1SC ZINC000459664274 823245041 /nfs/dbraw/zinc/24/50/41/823245041.db2.gz FSKBQJATNVCFIT-YJBOKZPZSA-N 1 0 385.533 4.202 20 0 GIADRO Cc1sc(CC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)nc1C(C)C ZINC000571849495 823245114 /nfs/dbraw/zinc/24/51/14/823245114.db2.gz TXJOTRYLDMWFKM-AEFFLSMTSA-N 1 0 377.598 4.230 20 0 GIADRO COc1ccc2c(c1)c(C(=O)NC1CC[NH+](C)CC1)c(C)n2C1CCCCC1 ZINC000121764796 823245960 /nfs/dbraw/zinc/24/59/60/823245960.db2.gz QGDVGJATWPYHQN-UHFFFAOYSA-N 1 0 383.536 4.288 20 0 GIADRO COc1ccc(C)cc1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000459667773 823246043 /nfs/dbraw/zinc/24/60/43/823246043.db2.gz ORKNIOJNYWTXBH-HZPDHXFCSA-N 1 0 378.476 4.072 20 0 GIADRO CSC1(CNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)CC[NH+](C)CC1 ZINC000571853889 823246366 /nfs/dbraw/zinc/24/63/66/823246366.db2.gz NRPWTCSQZXUDHC-LSDHHAIUSA-N 1 0 387.376 4.041 20 0 GIADRO Cc1c(NC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)cccc1-c1ncco1 ZINC000571855848 823246626 /nfs/dbraw/zinc/24/66/26/823246626.db2.gz UIVZEWIQKPUZSD-IBGZPJMESA-N 1 0 390.487 4.436 20 0 GIADRO CCC(=O)c1ccc(OCCCCC(=O)N(C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)cc1 ZINC000409544708 823246704 /nfs/dbraw/zinc/24/67/04/823246704.db2.gz TTZMLKJIGMFBLX-UYAOXDASSA-N 1 0 388.552 4.160 20 0 GIADRO Cc1sc(CC[NH2+]C2CCN(C(=O)c3ccoc3)CC2)nc1-c1ccccc1 ZINC000121771239 823246865 /nfs/dbraw/zinc/24/68/65/823246865.db2.gz SXXFUZVVQCWJMG-UHFFFAOYSA-N 1 0 395.528 4.148 20 0 GIADRO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](Cc2nc3cc(C(F)(F)F)ccc3o2)C1 ZINC000571871916 823248009 /nfs/dbraw/zinc/24/80/09/823248009.db2.gz PYEBCZFOODBJMS-SFHVURJKSA-N 1 0 384.398 4.258 20 0 GIADRO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3c(O)ccc4ccccc43)C2)n1 ZINC000057088449 823248433 /nfs/dbraw/zinc/24/84/33/823248433.db2.gz YMIHOBUBYFJSKB-SFHVURJKSA-N 1 0 375.472 4.100 20 0 GIADRO COc1ccc(C(=O)C2CC[NH+](Cc3ccc(-c4ccccn4)nc3)CC2)cc1 ZINC000571876229 823249003 /nfs/dbraw/zinc/24/90/03/823249003.db2.gz AKMRJLDVUSEYCA-UHFFFAOYSA-N 1 0 387.483 4.247 20 0 GIADRO CC[NH+](CC)CCCCNC(=O)c1ccc2c(c1)nc(C)n2Cc1ccsc1 ZINC000409558600 823249273 /nfs/dbraw/zinc/24/92/73/823249273.db2.gz YILSVLJVGYMGKK-UHFFFAOYSA-N 1 0 398.576 4.306 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)N[C@@H](CC(F)(F)F)c1ccccc1)c1ccsc1 ZINC000057130592 823252859 /nfs/dbraw/zinc/25/28/59/823252859.db2.gz NFWOFHAUMHGZMV-JKSUJKDBSA-N 1 0 385.455 4.344 20 0 GIADRO CC(C)c1nc(C[NH2+]C[C@H](C)c2nc(-c3ccccc3)no2)c2ccccn21 ZINC000571887691 823249999 /nfs/dbraw/zinc/24/99/99/823249999.db2.gz WHVKCMJDFFFWJB-INIZCTEOSA-N 1 0 375.476 4.401 20 0 GIADRO CC(C)OCC[NH+]1CCC(NC(=O)N2CCC[C@@H]2c2cccc(Cl)c2)CC1 ZINC000176619295 823250547 /nfs/dbraw/zinc/25/05/47/823250547.db2.gz GUDVHEICOACBQH-HXUWFJFHSA-N 1 0 393.959 4.076 20 0 GIADRO CC[NH+](CC)CCOc1ccc(NC(=O)NCCC2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000571898002 823251080 /nfs/dbraw/zinc/25/10/80/823251080.db2.gz DOHJBFHRQXRRKK-ROUUACIJSA-N 1 0 391.556 4.122 20 0 GIADRO C[N@@H+]1CCCC[C@@H]1CCC(=O)Nc1c(O)cc(Br)cc1Cl ZINC000571900817 823251275 /nfs/dbraw/zinc/25/12/75/823251275.db2.gz XBIVEJVGESVKPD-LLVKDONJSA-N 1 0 375.694 4.011 20 0 GIADRO C[C@H](NC(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1)[C@H]1CCCOC1 ZINC000571916887 823253508 /nfs/dbraw/zinc/25/35/08/823253508.db2.gz ATASGFUGTLOAHI-ROUUACIJSA-N 1 0 391.581 4.201 20 0 GIADRO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)o1 ZINC000571916120 823253548 /nfs/dbraw/zinc/25/35/48/823253548.db2.gz RGDHHPDJSOCSEL-ZWKOTPCHSA-N 1 0 394.475 4.091 20 0 GIADRO O=C(N[C@@H]1CCSc2ccc(F)cc21)C1CC[NH+](Cc2ccccc2)CC1 ZINC000057138472 823253796 /nfs/dbraw/zinc/25/37/96/823253796.db2.gz MBYJBAFRLCMQPP-HXUWFJFHSA-N 1 0 384.520 4.391 20 0 GIADRO COCC[C@@H](Cc1cccc(F)c1)[NH2+][C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000121799887 823254039 /nfs/dbraw/zinc/25/40/39/823254039.db2.gz UGNXVMDBXSJPRM-ZHRRBRCNSA-N 1 0 384.495 4.473 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1ccccc1Cc1ccccc1 ZINC000057166560 823257750 /nfs/dbraw/zinc/25/77/50/823257750.db2.gz KDKWRHGSZUEZRE-UHFFFAOYSA-N 1 0 385.511 4.067 20 0 GIADRO COc1cc(-c2noc(C[N@@H+]3C[C@@H](C)CC(C)(C)C3)n2)ccc1OC(F)F ZINC000571920537 823254244 /nfs/dbraw/zinc/25/42/44/823254244.db2.gz XJLJUJBHBLXOJK-LBPRGKRZSA-N 1 0 381.423 4.215 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+]CC2CCN(CC(F)(F)F)CC2)cc1OCC ZINC000188514841 823254380 /nfs/dbraw/zinc/25/43/80/823254380.db2.gz QCMUBYZMRNDQPB-OAHLLOKOSA-N 1 0 388.474 4.409 20 0 GIADRO Cc1cccc2nc(C3CCN(C(=O)c4cccc(C[NH+](C)C)c4)CC3)oc21 ZINC000188515303 823254401 /nfs/dbraw/zinc/25/44/01/823254401.db2.gz YZBXZVSEJOTYEA-UHFFFAOYSA-N 1 0 377.488 4.218 20 0 GIADRO CN(C(=O)c1ccc(NC/C=C/c2ccc(F)c(F)c2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000571923937 823254851 /nfs/dbraw/zinc/25/48/51/823254851.db2.gz HMURXWPJFNTDKK-GECPCNCSSA-N 1 0 399.485 4.256 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)Nc2nc3ccccc3s2)CC1 ZINC000409588225 823255631 /nfs/dbraw/zinc/25/56/31/823255631.db2.gz DYGCNEGMJKJDMN-UHFFFAOYSA-N 1 0 380.517 4.391 20 0 GIADRO CC(C)(C)c1ccc2cc(C(=O)NC3CC[NH+](Cc4ccncc4)CC3)[nH]c2c1 ZINC000057167437 823258028 /nfs/dbraw/zinc/25/80/28/823258028.db2.gz MMIKUGVMEPSQQP-UHFFFAOYSA-N 1 0 390.531 4.255 20 0 GIADRO COc1ccc([C@@H](CO)C[NH2+]Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)cc1 ZINC000459730776 823258007 /nfs/dbraw/zinc/25/80/07/823258007.db2.gz HXCIJZNKQSOBEQ-GOSISDBHSA-N 1 0 399.922 4.017 20 0 GIADRO CCCOc1ccc(C[NH2+][C@H]2c3sccc3OC(C)(C)[C@@H]2O)cc1OCC ZINC000459722245 823256468 /nfs/dbraw/zinc/25/64/68/823256468.db2.gz ZMAOBDCGGGUTFO-AZUAARDMSA-N 1 0 391.533 4.298 20 0 GIADRO O=c1nc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)[nH]c2sc3c(c21)CCC3 ZINC000057157862 823256934 /nfs/dbraw/zinc/25/69/34/823256934.db2.gz VRKRGEZMZFLKAH-GOSISDBHSA-N 1 0 385.920 4.368 20 0 GIADRO CC(C)[NH+](CCCNC(=O)c1cc(Cl)cc(F)c1Br)C(C)C ZINC000571943926 823258208 /nfs/dbraw/zinc/25/82/08/823258208.db2.gz JZNSKGMGERIFAH-UHFFFAOYSA-N 1 0 393.728 4.480 20 0 GIADRO CCOc1ccc([C@@H](C)NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000057169973 823258405 /nfs/dbraw/zinc/25/84/05/823258405.db2.gz KSZVADLMLXDOFB-GOSISDBHSA-N 1 0 396.531 4.183 20 0 GIADRO CC1(C)Cc2nc(NC(=O)C3CC[NH+](Cc4ccccc4)CC3)sc2C(=O)C1 ZINC000057170528 823258654 /nfs/dbraw/zinc/25/86/54/823258654.db2.gz VNVWIRYKZOZNNB-UHFFFAOYSA-N 1 0 397.544 4.149 20 0 GIADRO Cc1cc(C[NH2+][C@@H]2CCO[C@H]2c2cncc(Br)c2)cc2cccnc12 ZINC000459774028 823263074 /nfs/dbraw/zinc/26/30/74/823263074.db2.gz VTKGRRAVGNQXGQ-QUCCMNQESA-N 1 0 398.304 4.321 20 0 GIADRO CC(C)(C)NC(=O)c1cccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000057175181 823259226 /nfs/dbraw/zinc/25/92/26/823259226.db2.gz BOODDCDOJDXUHD-UHFFFAOYSA-N 1 0 393.531 4.066 20 0 GIADRO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)Cc1csc(-c2ccc(Cl)s2)n1 ZINC000571955261 823259611 /nfs/dbraw/zinc/25/96/11/823259611.db2.gz TWQCKVQDPGEKMX-CQSZACIVSA-N 1 0 397.997 4.400 20 0 GIADRO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)Cc1csc(-c2ccc(Cl)s2)n1 ZINC000571955260 823259730 /nfs/dbraw/zinc/25/97/30/823259730.db2.gz TWQCKVQDPGEKMX-AWEZNQCLSA-N 1 0 397.997 4.400 20 0 GIADRO Cc1cnc([C@@H](C)[NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)cn1 ZINC000459748830 823259836 /nfs/dbraw/zinc/25/98/36/823259836.db2.gz IGGVGXLZFYZPDB-RVSNTGDXSA-N 1 0 390.506 4.243 20 0 GIADRO O=C(NCCC[NH2+]C1CCCCC1)Nc1cccc(-c2noc(C3CC3)n2)c1 ZINC000176659542 823260077 /nfs/dbraw/zinc/26/00/77/823260077.db2.gz CCNPTSSVNGUNPC-UHFFFAOYSA-N 1 0 383.496 4.048 20 0 GIADRO CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CCO[C@H]2c2cncc(Br)c2)CS1 ZINC000459750926 823260413 /nfs/dbraw/zinc/26/04/13/823260413.db2.gz AXUWSLXZGWNLGD-WCVJEAGWSA-N 1 0 385.371 4.184 20 0 GIADRO COc1ccc(C[N@H+](C)C2CCN(Cc3ncc(C)c(OC)c3C)CC2)cc1C ZINC000571961670 823260943 /nfs/dbraw/zinc/26/09/43/823260943.db2.gz XNXNRYQAZVLDMU-UHFFFAOYSA-N 1 0 397.563 4.120 20 0 GIADRO C[C@H](Cc1cccc(F)c1)[N@H+](C)CC(=O)N[C@@H](c1nccs1)c1ccccc1 ZINC000459757669 823261292 /nfs/dbraw/zinc/26/12/92/823261292.db2.gz HOTIGSLLNNAOLA-IIBYNOLFSA-N 1 0 397.519 4.051 20 0 GIADRO Fc1ccc(/C=C\C[NH2+][C@@H]2CCO[C@H]2c2cncc(Br)c2)cc1F ZINC000459763894 823261920 /nfs/dbraw/zinc/26/19/20/823261920.db2.gz MRKHRMRFLLFAQN-ZSCXUVNLSA-N 1 0 395.247 4.255 20 0 GIADRO C[C@@H](CCc1ccsc1)[NH2+][C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000459768389 823262552 /nfs/dbraw/zinc/26/25/52/823262552.db2.gz RBXJKYGVNMHCCA-VUCTXSBTSA-N 1 0 381.339 4.347 20 0 GIADRO CCC[NH+]1CCC(CNC(=O)C(Cc2ccccc2)Cc2ccccc2)CC1 ZINC000409616252 823262620 /nfs/dbraw/zinc/26/26/20/823262620.db2.gz FTCLKIRFAQILCK-UHFFFAOYSA-N 1 0 378.560 4.326 20 0 GIADRO CO[C@H]1C[C@H]([NH2+]Cc2ncc(-c3ccc(Br)cc3)o2)C12CCC2 ZINC000459776535 823263685 /nfs/dbraw/zinc/26/36/85/823263685.db2.gz VQOZFXGWQIDZEQ-HOTGVXAUSA-N 1 0 377.282 4.151 20 0 GIADRO C[C@@H]1C[N@@H+](CCCCNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C[C@H](C)O1 ZINC000176689453 823268757 /nfs/dbraw/zinc/26/87/57/823268757.db2.gz SMLHEMBVQKCGJY-YALNPMBYSA-N 1 0 399.362 4.103 20 0 GIADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N(Cc1ccco1)Cc1cccs1 ZINC000057205422 823264088 /nfs/dbraw/zinc/26/40/88/823264088.db2.gz GPOOCTICYIQMTJ-IBGZPJMESA-N 1 0 397.544 4.226 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)[C@H](c2cccc(Cl)c2)N(C)C)cc1 ZINC000409635589 823268826 /nfs/dbraw/zinc/26/88/26/823268826.db2.gz MQCKMZHBCYZENK-NRFANRHFSA-N 1 0 387.955 4.101 20 0 GIADRO O=C(C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000459782245 823264348 /nfs/dbraw/zinc/26/43/48/823264348.db2.gz OQDJAJYMVHCIMB-WBTNSWJXSA-N 1 0 385.558 4.266 20 0 GIADRO COc1cc(C[NH2+][C@H](c2ccccc2)C(C)(C)C)cc(Cl)c1OCC(N)=O ZINC000121858220 823264413 /nfs/dbraw/zinc/26/44/13/823264413.db2.gz GCAMTSKTLHKQNB-HXUWFJFHSA-N 1 0 390.911 4.090 20 0 GIADRO O[C@H](C[C@@H]1CCCCC[N@@H+]1Cc1nc(-c2ccc(F)cc2)no1)c1ccco1 ZINC000121861810 823264976 /nfs/dbraw/zinc/26/49/76/823264976.db2.gz XOHLCWXNJIVHPI-ZWKOTPCHSA-N 1 0 385.439 4.337 20 0 GIADRO COc1ccc(NC(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1SC ZINC000459786878 823265156 /nfs/dbraw/zinc/26/51/56/823265156.db2.gz XZZCNZXFGQXEIL-AEFFLSMTSA-N 1 0 399.560 4.449 20 0 GIADRO O=C(CC[NH2+]Cc1ccc(OCC(F)(F)F)cc1)Nc1cccc(Cl)c1 ZINC000571981554 823265217 /nfs/dbraw/zinc/26/52/17/823265217.db2.gz KNSZEPALWDOEPT-UHFFFAOYSA-N 1 0 386.801 4.400 20 0 GIADRO O=C(Nc1ccc(F)cc1OCC1CC1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000571982152 823265296 /nfs/dbraw/zinc/26/52/96/823265296.db2.gz RSEHWIHUWJPKIA-QFBILLFUSA-N 1 0 375.488 4.001 20 0 GIADRO CC(C)OCC[NH+]1CCC(NC(=O)CC2CCC(c3ccccc3)CC2)CC1 ZINC000176677570 823265435 /nfs/dbraw/zinc/26/54/35/823265435.db2.gz SCNLQCLDCNMRSK-UHFFFAOYSA-N 1 0 386.580 4.356 20 0 GIADRO C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[N@@H+](C)C[C@H](C)C(=O)OC(C)(C)C ZINC000459801761 823266134 /nfs/dbraw/zinc/26/61/34/823266134.db2.gz HIXCUNCHWCVQEY-QWHCGFSZSA-N 1 0 379.888 4.361 20 0 GIADRO CCc1ccc(-c2ccc(C(=O)NC3CC[NH+](CCOC(C)C)CC3)o2)cc1 ZINC000176679987 823266197 /nfs/dbraw/zinc/26/61/97/823266197.db2.gz NMPRMEQHZUZSJB-UHFFFAOYSA-N 1 0 384.520 4.128 20 0 GIADRO COC[C@]1(C[NH2+]Cc2cc(C)c(Br)s2)OCCc2ccccc21 ZINC000571988877 823266276 /nfs/dbraw/zinc/26/62/76/823266276.db2.gz HRPSGDHXCGKAHU-SFHVURJKSA-N 1 0 396.350 4.023 20 0 GIADRO Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)C(=O)OC(C)(C)C ZINC000459807629 823266603 /nfs/dbraw/zinc/26/66/03/823266603.db2.gz NUDWVXWMTREGMQ-IAGOWNOFSA-N 1 0 376.541 4.355 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)C1(c2cccc(F)c2)CCCCC1 ZINC000057225489 823266901 /nfs/dbraw/zinc/26/69/01/823266901.db2.gz GPTOGAVAAWYSIM-UHFFFAOYSA-N 1 0 395.522 4.203 20 0 GIADRO CC(C)(C)c1ncsc1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000176685348 823267439 /nfs/dbraw/zinc/26/74/39/823267439.db2.gz GOZXGDFQAYERSR-UHFFFAOYSA-N 1 0 377.579 4.144 20 0 GIADRO CC(C)(C)c1ncsc1C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000176687451 823268023 /nfs/dbraw/zinc/26/80/23/823268023.db2.gz GVGRRGHYBHOHGC-AWEZNQCLSA-N 1 0 377.579 4.144 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)c3cccc4c3ccn4C)C2)s1 ZINC000572007808 823268579 /nfs/dbraw/zinc/26/85/79/823268579.db2.gz NAYXESCWYYTXKE-QGZVFWFLSA-N 1 0 381.545 4.142 20 0 GIADRO CCOC(=O)CC1CC[NH+](Cc2cccc(C(=O)Nc3ccccc3)c2)CC1 ZINC000121884576 823269999 /nfs/dbraw/zinc/26/99/99/823269999.db2.gz KPLJSBOBFWXHGY-UHFFFAOYSA-N 1 0 380.488 4.104 20 0 GIADRO CN(C(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F)c1nc2ccccc2s1 ZINC000459926137 823272204 /nfs/dbraw/zinc/27/22/04/823272204.db2.gz ZCYXCDQVMJDWAU-VXGBXAGGSA-N 1 0 385.455 4.168 20 0 GIADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(-c2ccccc2OC(F)(F)F)o1 ZINC000188611022 823272665 /nfs/dbraw/zinc/27/26/65/823272665.db2.gz OBMJSCJHQCDRCD-ZDUSSCGKSA-N 1 0 394.393 4.059 20 0 GIADRO OC[C@@H](C[NH2+][C@@H]1CCCNc2ccccc21)Cc1ccc(Br)cc1 ZINC000572047306 823273667 /nfs/dbraw/zinc/27/36/67/823273667.db2.gz ANDNDFBBGHYCEB-OXQOHEQNSA-N 1 0 389.337 4.137 20 0 GIADRO CCN(C(=O)c1csc([C@@H]2CCCO2)n1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000121905694 823274125 /nfs/dbraw/zinc/27/41/25/823274125.db2.gz WQQIBAMMLFPCKJ-HQRMLTQVSA-N 1 0 399.560 4.292 20 0 GIADRO CCOc1ccccc1CN(C)C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000121936365 823280345 /nfs/dbraw/zinc/28/03/45/823280345.db2.gz CIKUOAPIDNIMKE-UHFFFAOYSA-N 1 0 395.547 4.200 20 0 GIADRO Cc1cccc(NC(=O)NCCCC[NH+]2CCN(Cc3ccccc3)CC2)c1C ZINC000409674990 823280417 /nfs/dbraw/zinc/28/04/17/823280417.db2.gz HDZHWFZDSPXPRM-UHFFFAOYSA-N 1 0 394.563 4.023 20 0 GIADRO Cc1ccc(CNC(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)cn1 ZINC000057286187 823275768 /nfs/dbraw/zinc/27/57/68/823275768.db2.gz RVIMBOAQWVYDLT-UHFFFAOYSA-N 1 0 380.536 4.154 20 0 GIADRO COc1cc2c(cc1F)[nH+]ccc2N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000409659364 823276084 /nfs/dbraw/zinc/27/60/84/823276084.db2.gz KSNBZLIUNSKRPZ-HNNXBMFYSA-N 1 0 380.467 4.299 20 0 GIADRO CC[N@H+](C)[C@H](C(=O)NCc1cccc(COCC(F)(F)F)c1)c1ccccc1 ZINC000121914499 823276286 /nfs/dbraw/zinc/27/62/86/823276286.db2.gz FFKSFAKCWVFYBS-IBGZPJMESA-N 1 0 394.437 4.075 20 0 GIADRO C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000188629813 823276389 /nfs/dbraw/zinc/27/63/89/823276389.db2.gz JBNVBZINAKHATB-IIYDPXPESA-N 1 0 392.849 4.130 20 0 GIADRO CCc1nc2cc(C[NH2+][C@H]3CCC[C@H](c4ccnn4C)C3)ccc2n1C1CC1 ZINC000572063451 823276518 /nfs/dbraw/zinc/27/65/18/823276518.db2.gz XILUXCUVOPWJFI-ROUUACIJSA-N 1 0 377.536 4.483 20 0 GIADRO COc1ccc([C@H](CNC(=O)c2c(F)cccc2Cl)[NH+]2CCCC2)cc1 ZINC000121917088 823276561 /nfs/dbraw/zinc/27/65/61/823276561.db2.gz BVFKDNCOGKTPJQ-SFHVURJKSA-N 1 0 376.859 4.055 20 0 GIADRO C[NH+](C)CCCOc1ccc(CNC(=O)CC2CC(c3ccccc3)C2)cc1 ZINC000409660808 823276741 /nfs/dbraw/zinc/27/67/41/823276741.db2.gz UPFQLBNZNQEURK-UHFFFAOYSA-N 1 0 380.532 4.217 20 0 GIADRO Cc1nc(CC2CC2)sc1C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000188633444 823276944 /nfs/dbraw/zinc/27/69/44/823276944.db2.gz GYNWHEJCCIOWKT-UHFFFAOYSA-N 1 0 398.576 4.187 20 0 GIADRO O=C(CC[NH+]1CCCCC1)Nc1cccc(NC(=O)c2ccoc2C2CC2)c1 ZINC000409663143 823277226 /nfs/dbraw/zinc/27/72/26/823277226.db2.gz DQVITUVQKWTZHS-UHFFFAOYSA-N 1 0 381.476 4.224 20 0 GIADRO CC(C)C[C@H](CNC(=O)c1cnc2cnccc2c1)[NH2+][C@@H](C)c1ccccc1 ZINC000409680236 823281312 /nfs/dbraw/zinc/28/13/12/823281312.db2.gz VRDBLYVBAUOJHG-LAUBAEHRSA-N 1 0 376.504 4.125 20 0 GIADRO CC(C)c1c(C(=O)NCc2ccc3c(c2)C[NH2+]C3)cnn1-c1ccc(Cl)cc1 ZINC000188661200 823281842 /nfs/dbraw/zinc/28/18/42/823281842.db2.gz REFVGHSODHFFTA-UHFFFAOYSA-N 1 0 394.906 4.182 20 0 GIADRO Cc1[nH]nc2ncc(C[NH2+][C@H]3C[C@H](c4ccc(F)c(Br)c4)C3)cc12 ZINC000572096510 823282748 /nfs/dbraw/zinc/28/27/48/823282748.db2.gz YOOBKFBODCHEPV-HDJSIYSDSA-N 1 0 389.272 4.204 20 0 GIADRO Cc1noc(C)c1CSc1ccccc1C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188666673 823283043 /nfs/dbraw/zinc/28/30/43/823283043.db2.gz BPNHPNRQQNFXJA-UHFFFAOYSA-N 1 0 393.512 4.117 20 0 GIADRO Cc1cccc(COc2ccc([C@@H](C)[NH2+]Cc3ccc(C(=O)N(C)C)[nH]3)cc2)c1 ZINC000176760390 823286007 /nfs/dbraw/zinc/28/60/07/823286007.db2.gz AUMOOGOQWDXGOC-GOSISDBHSA-N 1 0 391.515 4.455 20 0 GIADRO O=C(NCCCCC[NH+]1CCCCC1)[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000409691083 823284225 /nfs/dbraw/zinc/28/42/25/823284225.db2.gz XCHMGNQKCGZEDH-XLIONFOSSA-N 1 0 396.934 4.329 20 0 GIADRO C[C@H](c1ccccc1Cl)N(C)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000121955033 823284240 /nfs/dbraw/zinc/28/42/40/823284240.db2.gz WNDCEPZQXPWNJC-MRXNPFEDSA-N 1 0 389.927 4.183 20 0 GIADRO C[C@@H](c1ccccc1Cl)N(C)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000121954864 823284246 /nfs/dbraw/zinc/28/42/46/823284246.db2.gz WNDCEPZQXPWNJC-INIZCTEOSA-N 1 0 389.927 4.183 20 0 GIADRO CC[C@@H](C)C[C@H](CC)[NH2+]C1CCN(c2ccc(S(=O)(=O)CC)cc2)CC1 ZINC000122001613 823291307 /nfs/dbraw/zinc/29/13/07/823291307.db2.gz JUHCOZVTKASOJH-MSOLQXFVSA-N 1 0 380.598 4.253 20 0 GIADRO CC1(C)CCN(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CCS1 ZINC000572128972 823287442 /nfs/dbraw/zinc/28/74/42/823287442.db2.gz VNWSSRSWRCDCLG-HXUWFJFHSA-N 1 0 389.609 4.216 20 0 GIADRO COc1cc(Br)c(C[N@@H+]2CC[C@@H](c3cc(C)ccn3)C2)cc1OC ZINC000572131445 823287708 /nfs/dbraw/zinc/28/77/08/823287708.db2.gz BMNATWUVSIQTEQ-CQSZACIVSA-N 1 0 391.309 4.159 20 0 GIADRO Cc1ncc(C[NH2+]CCc2nc(-c3cccc(Cl)c3)no2)n1-c1ccccc1 ZINC000176770247 823289117 /nfs/dbraw/zinc/28/91/17/823289117.db2.gz YVXNVKAVSDPZRA-UHFFFAOYSA-N 1 0 393.878 4.216 20 0 GIADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2ccc3ccccc3c2)cc1 ZINC000007263901 817806266 /nfs/dbraw/zinc/80/62/66/817806266.db2.gz GNWLOGNUENWBER-UHFFFAOYSA-N 1 0 389.499 4.164 20 0 GIADRO CCS(=O)(=O)c1ccc(N2CCC([NH2+][C@H](C)c3sccc3C)CC2)cc1 ZINC000121990111 823289633 /nfs/dbraw/zinc/28/96/33/823289633.db2.gz RJVCZFKZGOKPRR-MRXNPFEDSA-N 1 0 392.590 4.170 20 0 GIADRO CCS(=O)(=O)c1ccc(N2CCC([NH2+][C@@H](C)c3sccc3C)CC2)cc1 ZINC000121989904 823289691 /nfs/dbraw/zinc/28/96/91/823289691.db2.gz RJVCZFKZGOKPRR-INIZCTEOSA-N 1 0 392.590 4.170 20 0 GIADRO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1cc2ccccc2n1CC(F)(F)F ZINC000572149259 823290770 /nfs/dbraw/zinc/29/07/70/823290770.db2.gz JLQSVKXMHPZPHK-INIZCTEOSA-N 1 0 381.442 4.150 20 0 GIADRO FC(F)(F)Oc1ccc(NC(=S)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000007368767 817825530 /nfs/dbraw/zinc/82/55/30/817825530.db2.gz GKMSWMLVSVNHCI-OAHLLOKOSA-N 1 0 399.438 4.302 20 0 GIADRO CCC[N@H+](CC)Cc1ccc(C(=O)NCc2ccc(Cn3cccn3)cc2)cc1 ZINC000409722898 823290916 /nfs/dbraw/zinc/29/09/16/823290916.db2.gz YFGGMCBJLGZCCW-UHFFFAOYSA-N 1 0 390.531 4.093 20 0 GIADRO COc1cncc(/C=C/CC[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)c1 ZINC000572152551 823291058 /nfs/dbraw/zinc/29/10/58/823291058.db2.gz WKUWYIVVLRPXRJ-NBUZRDOWSA-N 1 0 380.467 4.478 20 0 GIADRO CCS(=O)(=O)c1ccc(N2CCC([NH2+][C@@H]3CCC[C@H](C4CC4)C3)CC2)cc1 ZINC000122005261 823291800 /nfs/dbraw/zinc/29/18/00/823291800.db2.gz UKJCMFIGSFWUCW-AZUAARDMSA-N 1 0 390.593 4.007 20 0 GIADRO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000460132110 823291148 /nfs/dbraw/zinc/29/11/48/823291148.db2.gz JLLTUYOYRPMCBL-MAUKXSAKSA-N 1 0 380.454 4.212 20 0 GIADRO Cc1noc(-c2ccccc2)c1NC(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000460135820 823292583 /nfs/dbraw/zinc/29/25/83/823292583.db2.gz WONSXGVHIWDCNY-IBGZPJMESA-N 1 0 378.476 4.383 20 0 GIADRO CCN(C(=O)Nc1cccc(OCCF)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000460136187 823292800 /nfs/dbraw/zinc/29/28/00/823292800.db2.gz XKVPNTWVVXLBDG-FQEVSTJZSA-N 1 0 385.483 4.163 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](c1c2ccccc2[nH]c1-c1ccccc1)c1ccccc1)C(N)=O ZINC000007546738 817866112 /nfs/dbraw/zinc/86/61/12/817866112.db2.gz YAFDUXVEHASZHS-DYESRHJHSA-N 1 0 383.495 4.430 20 0 GIADRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(NC(=O)c3cccnc3)cc2)C12CCCC2 ZINC000572192917 823297719 /nfs/dbraw/zinc/29/77/19/823297719.db2.gz FILAJRXFSBXPMT-SFTDATJTSA-N 1 0 379.504 4.161 20 0 GIADRO CCOc1ccccc1[C@@H](C)[NH2+]CC(=O)Nc1ccc(Br)cc1 ZINC000572192640 823297752 /nfs/dbraw/zinc/29/77/52/823297752.db2.gz PVXFZHGUXUJRBR-CYBMUJFWSA-N 1 0 377.282 4.137 20 0 GIADRO Cc1ccc(Br)c(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000122024507 823295022 /nfs/dbraw/zinc/29/50/22/823295022.db2.gz MVZSUABXKXBUAE-UHFFFAOYSA-N 1 0 387.321 4.152 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)NC[C@H](CO)c1ccccc1)C1CCCCC1 ZINC000176798495 823295547 /nfs/dbraw/zinc/29/55/47/823295547.db2.gz IHYPJGRTGPWLIU-OAQYLSRUSA-N 1 0 395.547 4.349 20 0 GIADRO C[C@H](C(=O)NCC1([NH+](C)C)Cc2ccccc2C1)c1ccc(C(F)(F)F)cc1 ZINC000409738459 823296047 /nfs/dbraw/zinc/29/60/47/823296047.db2.gz ULIHXOCYYKBTRU-HNNXBMFYSA-N 1 0 390.449 4.024 20 0 GIADRO C[C@H](NC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)c1ccc(Oc2cccnc2)cc1 ZINC000572196011 823298046 /nfs/dbraw/zinc/29/80/46/823298046.db2.gz FCYPFCWSVBNHQH-KPLVRAHFSA-N 1 0 394.519 4.061 20 0 GIADRO COCCn1cc(C(=O)Nc2cccc(C[NH+]3CCCC3)c2)c2ccccc21 ZINC000057433175 823296246 /nfs/dbraw/zinc/29/62/46/823296246.db2.gz YGZLEIPEUYNPMK-UHFFFAOYSA-N 1 0 377.488 4.136 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)COc1ccccc1-c1ccccc1)Cc1ccccc1 ZINC000007683650 817894466 /nfs/dbraw/zinc/89/44/66/817894466.db2.gz BMLCTKPJVHYROH-QFIPXVFZSA-N 1 0 388.511 4.022 20 0 GIADRO C[C@H](NC(=O)NCC1CCC(F)(F)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000409742776 823296860 /nfs/dbraw/zinc/29/68/60/823296860.db2.gz SPIKAUHXXJHHPG-QFBILLFUSA-N 1 0 379.495 4.022 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+][C@H](CC)c2ccc(Br)cc2)[C@H]1n1cccn1 ZINC000572189614 823296954 /nfs/dbraw/zinc/29/69/54/823296954.db2.gz ZRQNWYZEKLQSKU-XMTFNYHQSA-N 1 0 378.314 4.105 20 0 GIADRO COc1ccc(C[C@](C)(O)C[NH2+][C@H]2CC[C@](C)(c3ccccc3)C2)cc1OC ZINC000572209001 823300779 /nfs/dbraw/zinc/30/07/79/823300779.db2.gz IGZYTVIGNUYVJK-OYDLWJJNSA-N 1 0 383.532 4.097 20 0 GIADRO COC(C)(C)c1nc(C)c(C(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)s1 ZINC000572209844 823301210 /nfs/dbraw/zinc/30/12/10/823301210.db2.gz NOVVPZTUSQAVSB-QGZVFWFLSA-N 1 0 393.597 4.108 20 0 GIADRO Cc1ccc(Cl)c(OCC(=O)NCc2ccccc2C[NH+]2CCCCC2)c1 ZINC000007850299 817937195 /nfs/dbraw/zinc/93/71/95/817937195.db2.gz TZPBADQFVMBSBJ-UHFFFAOYSA-N 1 0 386.923 4.330 20 0 GIADRO CCCCNC(=O)NC(=O)C[NH2+][C@@H](c1cccs1)c1ccc(C(C)C)cc1 ZINC000007876967 817946806 /nfs/dbraw/zinc/94/68/06/817946806.db2.gz MYVYMKQCXGNDRU-HXUWFJFHSA-N 1 0 387.549 4.176 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(F)c(F)c2)cc1Br ZINC000007879204 817947761 /nfs/dbraw/zinc/94/77/61/817947761.db2.gz JHSNRAVJRBAENK-JTQLQIEISA-N 1 0 399.235 4.025 20 0 GIADRO C[C@@H](C(=O)NCCc1cccs1)[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000007919443 817958174 /nfs/dbraw/zinc/95/81/74/817958174.db2.gz DSCGNVVLPPENDX-HOTGVXAUSA-N 1 0 399.585 4.285 20 0 GIADRO Cc1cccnc1[C@H](NC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000176810640 823298847 /nfs/dbraw/zinc/29/88/47/823298847.db2.gz ADSDZTANRXONBE-FCHUYYIVSA-N 1 0 394.563 4.251 20 0 GIADRO COc1ccccc1[C@H](C[NH2+]Cc1ccccc1Br)N1CCCC1 ZINC000409750752 823298889 /nfs/dbraw/zinc/29/88/89/823298889.db2.gz JTRJHVMRFRDCHE-IBGZPJMESA-N 1 0 389.337 4.384 20 0 GIADRO CCc1cc2c(C[N@@H+](Cc3cccs3)C[C@H]3CCCO3)cc(=O)oc2cc1O ZINC000007927426 817961776 /nfs/dbraw/zinc/96/17/76/817961776.db2.gz UGLOIEKAWGQQPH-QGZVFWFLSA-N 1 0 399.512 4.304 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)[C@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)cc1F ZINC000122054885 823299523 /nfs/dbraw/zinc/29/95/23/823299523.db2.gz POLVPJJSFXQMBZ-MSOLQXFVSA-N 1 0 394.412 4.326 20 0 GIADRO CC(C)(CO)[C@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)c1ccccc1 ZINC000572205789 823300164 /nfs/dbraw/zinc/30/01/64/823300164.db2.gz ZCZQCNBGKLFCLS-HXUWFJFHSA-N 1 0 375.896 4.351 20 0 GIADRO Cc1ccc(NC(=O)N[C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)cc1C ZINC000122116867 823308505 /nfs/dbraw/zinc/30/85/05/823308505.db2.gz NHHOPUDTXKQYOF-HXUWFJFHSA-N 1 0 379.504 4.413 20 0 GIADRO CCCC(=O)N1CCCC[C@H]1C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000057496410 823304188 /nfs/dbraw/zinc/30/41/88/823304188.db2.gz YOIPFSGBLQCDMF-RXVVDRJESA-N 1 0 385.552 4.038 20 0 GIADRO CCCCCOc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000057500736 823304761 /nfs/dbraw/zinc/30/47/61/823304761.db2.gz SOYUJSIQEWLSMX-UHFFFAOYSA-N 1 0 381.520 4.260 20 0 GIADRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)N(C)[C@H]2CC[C@@H](C(F)(F)F)CC2)C1 ZINC000460173735 823305624 /nfs/dbraw/zinc/30/56/24/823305624.db2.gz ZPBKVHJZCRKMRC-LUKYLMHMSA-N 1 0 377.495 4.117 20 0 GIADRO O=C(c1cnn([C@@H]2CCC[NH2+]C2)c1)N(Cc1ccccc1Cl)C1CCCC1 ZINC000572234380 823305940 /nfs/dbraw/zinc/30/59/40/823305940.db2.gz ZCCPERGNSVVQTO-LJQANCHMSA-N 1 0 386.927 4.046 20 0 GIADRO CCOC1CC(CC[NH2+]Cc2csc(N(C(C)=O)c3ccc(C)cc3)n2)C1 ZINC000188788221 823306066 /nfs/dbraw/zinc/30/60/66/823306066.db2.gz ZHBIMWYVTBVWLK-UHFFFAOYSA-N 1 0 387.549 4.431 20 0 GIADRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2cccc(N)c2)CC1 ZINC000572240496 823306387 /nfs/dbraw/zinc/30/63/87/823306387.db2.gz LYGDRDHFBSOKIW-UHFFFAOYSA-N 1 0 391.437 4.024 20 0 GIADRO COc1cnccc1[C@H](C)[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000188790903 823306629 /nfs/dbraw/zinc/30/66/29/823306629.db2.gz KWUOXRQNKYGSQD-RYUDHWBXSA-N 1 0 382.245 4.107 20 0 GIADRO CCCOc1ccc(C[NH2+]Cc2ccc(OCc3noc(C)n3)cc2)c(C)c1 ZINC000188793262 823306887 /nfs/dbraw/zinc/30/68/87/823306887.db2.gz YGGRONVSIVQWME-UHFFFAOYSA-N 1 0 381.476 4.344 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)C(=O)NCc1ccc(OC)c(OC)c1)c1ccc(Cl)cc1 ZINC000011048556 818047761 /nfs/dbraw/zinc/04/77/61/818047761.db2.gz KHPCKBXMYGFQEY-KSSFIOAISA-N 1 0 390.911 4.103 20 0 GIADRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(OC)c(OC)c1)c1ccc(Cl)cc1 ZINC000011048525 818047811 /nfs/dbraw/zinc/04/78/11/818047811.db2.gz FHFKYTVPALQXTJ-SUMWQHHRSA-N 1 0 376.884 4.425 20 0 GIADRO Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)NCc1ccc2c[nH+]cn2c1 ZINC000572250561 823307731 /nfs/dbraw/zinc/30/77/31/823307731.db2.gz AZSRWLQUCKGBAP-KRWDZBQOSA-N 1 0 377.492 4.343 20 0 GIADRO Cc1ccc(NC(=O)C2CC2)cc1NC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000057542625 823308282 /nfs/dbraw/zinc/30/82/82/823308282.db2.gz KIRCWEUPQZJZJE-KRWDZBQOSA-N 1 0 386.540 4.120 20 0 GIADRO FC(F)(F)C1CC[NH+](C2CC(Nc3cncc(-c4cccs4)n3)C2)CC1 ZINC000572260756 823309225 /nfs/dbraw/zinc/30/92/25/823309225.db2.gz IXMYPCLJYZQLPD-UHFFFAOYSA-N 1 0 382.455 4.422 20 0 GIADRO O=C(N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000188831476 823314672 /nfs/dbraw/zinc/31/46/72/823314672.db2.gz YMHIQMDAWZCCFM-DNVCBOLYSA-N 1 0 392.465 4.212 20 0 GIADRO CC[C@@H](NC(=O)NC[C@H](c1ccsc1)[NH+](CC)CC)c1c(C)noc1C ZINC000122122659 823309740 /nfs/dbraw/zinc/30/97/40/823309740.db2.gz DOTVUCPCGFYNNM-IAGOWNOFSA-N 1 0 378.542 4.186 20 0 GIADRO Cc1cc(Br)cc(C[NH2+]C[C@]2(O)CCC[C@@H](C(F)(F)F)C2)c1O ZINC000188807532 823309911 /nfs/dbraw/zinc/30/99/11/823309911.db2.gz JREISPOKLWOFHL-DOMZBBRYSA-N 1 0 396.247 4.036 20 0 GIADRO Cc1cccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@H]2CC[C@@H](O)C2)c1 ZINC000188810869 823310805 /nfs/dbraw/zinc/31/08/05/823310805.db2.gz IJARRBAHFVFYIR-NZQKXSOJSA-N 1 0 375.516 4.157 20 0 GIADRO CCOc1ccc(C(F)(F)F)cc1NC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000409815325 823315243 /nfs/dbraw/zinc/31/52/43/823315243.db2.gz AYGBPDYXSKHJGF-OAHLLOKOSA-N 1 0 385.430 4.196 20 0 GIADRO COc1ccccc1OCC[NH2+][C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000057572295 823310871 /nfs/dbraw/zinc/31/08/71/823310871.db2.gz VOZFRGRRZSCTKH-JOCHJYFZSA-N 1 0 394.446 4.183 20 0 GIADRO C[N@H+](Cc1ccc(-c2ccccc2Br)s1)CC1(O)CCOCC1 ZINC000188831911 823314955 /nfs/dbraw/zinc/31/49/55/823314955.db2.gz VSQRGWLRFGIGGV-UHFFFAOYSA-N 1 0 396.350 4.151 20 0 GIADRO CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000460192488 823311681 /nfs/dbraw/zinc/31/16/81/823311681.db2.gz WUWUYZSGRBUPOE-HXUWFJFHSA-N 1 0 382.552 4.232 20 0 GIADRO C[NH+](C)CC1(C(=O)NCc2ccc(Oc3cccc(F)c3)nc2)CCCCC1 ZINC000460192390 823311811 /nfs/dbraw/zinc/31/18/11/823311811.db2.gz RUWZTVDVRVMVSL-UHFFFAOYSA-N 1 0 385.483 4.141 20 0 GIADRO CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000460193623 823311950 /nfs/dbraw/zinc/31/19/50/823311950.db2.gz VMXPLBKZJGEYSH-SXLOBPIMSA-N 1 0 399.583 4.221 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(OC(F)F)cc2)cc1 ZINC000011709932 818111520 /nfs/dbraw/zinc/11/15/20/818111520.db2.gz QRYYJLDWHXBDHR-KGLIPLIRSA-N 1 0 378.419 4.365 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)CCC(=O)c2csc3ccccc23)cc1F ZINC000122145186 823312617 /nfs/dbraw/zinc/31/26/17/823312617.db2.gz SBGDUTRIRAWPOY-UHFFFAOYSA-N 1 0 398.503 4.381 20 0 GIADRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)Cc1cccc(C(F)(F)F)c1 ZINC000011752839 818116508 /nfs/dbraw/zinc/11/65/08/818116508.db2.gz CHGCEUOAHLZORA-ICSRJNTNSA-N 1 0 388.433 4.391 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1cccc(NC(C)=O)c1)c1ccccc1Cl ZINC000057616220 823315115 /nfs/dbraw/zinc/31/51/15/823315115.db2.gz LOIZYIUIWBYNET-HXUWFJFHSA-N 1 0 387.911 4.111 20 0 GIADRO COc1cc(OC)c(NC(=O)N(CC[NH+](C)C)Cc2cccs2)cc1Cl ZINC000176869435 823313655 /nfs/dbraw/zinc/31/36/55/823313655.db2.gz JGABWJVGFSFMOP-UHFFFAOYSA-N 1 0 397.928 4.014 20 0 GIADRO C[C@@H]1C[NH+](CCC2CCN(C(=O)CC3CC(c4ccccc4)C3)CC2)C[C@@H](C)O1 ZINC000409811315 823313771 /nfs/dbraw/zinc/31/37/71/823313771.db2.gz VYZZTJCWCQUDPC-JDJBWLAASA-N 1 0 398.591 4.308 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc4cc(F)ccc4s3)cc2)CC1 ZINC000011948915 818131971 /nfs/dbraw/zinc/13/19/71/818131971.db2.gz UTNCGAGQYRBDKV-UHFFFAOYSA-N 1 0 383.492 4.435 20 0 GIADRO CC[N@H+](C[C@H](O)COc1cc(Cl)ccc1Cl)[C@@H]1CCOC(C)(C)C1 ZINC000572289956 823314195 /nfs/dbraw/zinc/31/41/95/823314195.db2.gz ZJMSOQIJOQLPHU-CABCVRRESA-N 1 0 376.324 4.013 20 0 GIADRO CCOc1cc(CN(C)C(=O)C2(C[NH+](C)C)CCCCC2)ccc1OC(F)F ZINC000460203435 823315855 /nfs/dbraw/zinc/31/58/55/823315855.db2.gz JCPIENXRJBMZKX-UHFFFAOYSA-N 1 0 398.494 4.157 20 0 GIADRO COc1cc(C[NH2+]CC(=O)Nc2ccc(F)cc2)ccc1OCc1ccccc1 ZINC000057620827 823315776 /nfs/dbraw/zinc/31/57/76/823315776.db2.gz KEOMRDASSAXPQY-UHFFFAOYSA-N 1 0 394.446 4.142 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)c(CC(=O)N(CC[NH+](C)C)C2CCCC2)s1 ZINC000012363328 818155963 /nfs/dbraw/zinc/15/59/63/818155963.db2.gz QOEUCMXXPUZWAJ-UHFFFAOYSA-N 1 0 385.577 4.302 20 0 GIADRO COc1cc(C[NH2+]C[C@H]2CC[C@@H](O)C2)ccc1OCc1ccc(Cl)cc1 ZINC000188848701 823316779 /nfs/dbraw/zinc/31/67/79/823316779.db2.gz ZMTBOQXTWKOHJV-QFBILLFUSA-N 1 0 375.896 4.178 20 0 GIADRO CC(C)Oc1ccc(NC(=O)C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000122173475 823316883 /nfs/dbraw/zinc/31/68/83/823316883.db2.gz JYPYIRSGGCBXGQ-UHFFFAOYSA-N 1 0 395.503 4.037 20 0 GIADRO COc1cc2[nH]c(CCC[NH2+][C@@H](C)c3cn4ccccc4n3)cc2c(OC)c1 ZINC000572308287 823317565 /nfs/dbraw/zinc/31/75/65/823317565.db2.gz TWZROCBKVCECRZ-HNNXBMFYSA-N 1 0 378.476 4.116 20 0 GIADRO O=C(Cc1coc2ccccc12)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000572309947 823317780 /nfs/dbraw/zinc/31/77/80/823317780.db2.gz KDADHJXUFDWHQZ-UHFFFAOYSA-N 1 0 388.511 4.490 20 0 GIADRO CC(C)N(CC[NH+](C)C)C(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1 ZINC000188858955 823318058 /nfs/dbraw/zinc/31/80/58/823318058.db2.gz GWISYLZLXFGEKT-UHFFFAOYSA-N 1 0 384.398 4.257 20 0 GIADRO Cc1ccccc1C1(C[NH2+][C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)CCOCC1 ZINC000122202211 823321230 /nfs/dbraw/zinc/32/12/30/823321230.db2.gz GAVZPXPKJXAHQI-WOJBJXKFSA-N 1 0 388.552 4.079 20 0 GIADRO c1cn2c(C[NH2+]CCc3ccc4c(c3)OCCO4)c(-c3ccccc3)nc2s1 ZINC000014213355 818228062 /nfs/dbraw/zinc/22/80/62/818228062.db2.gz TZVWLRAEJIQDTJ-UHFFFAOYSA-N 1 0 391.496 4.166 20 0 GIADRO O=C(C[NH2+]Cc1c(-c2ccccc2)nc2sccn21)Nc1ccc(F)c(F)c1 ZINC000014214073 818228686 /nfs/dbraw/zinc/22/86/86/818228686.db2.gz AOLCQJQKKVSROE-UHFFFAOYSA-N 1 0 398.438 4.069 20 0 GIADRO CCCc1occc1C(=O)Nc1c(C)cnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000409840468 823322154 /nfs/dbraw/zinc/32/21/54/823322154.db2.gz SVEAYOQZRBKTJD-LJQANCHMSA-N 1 0 392.503 4.436 20 0 GIADRO COc1ccc2c(CC(=O)N3c4ccc(C)cc4[C@H]4C[N@@H+](C)CC[C@H]43)coc2c1 ZINC000014334777 818235795 /nfs/dbraw/zinc/23/57/95/818235795.db2.gz DTNPXCXXBGBLFW-IFMALSPDSA-N 1 0 390.483 4.127 20 0 GIADRO CSC1(C[NH2+][C@H](C)c2nc(-c3ccc(Br)cc3)no2)CCC1 ZINC000572330414 823322450 /nfs/dbraw/zinc/32/24/50/823322450.db2.gz OSQWSFGIEAMADA-LLVKDONJSA-N 1 0 382.327 4.435 20 0 GIADRO CCn1c(-c2ccc(C)s2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000460224061 823322738 /nfs/dbraw/zinc/32/27/38/823322738.db2.gz ZXQJVVRSJFBVHH-UHFFFAOYSA-N 1 0 381.549 4.047 20 0 GIADRO C[NH+](C)Cc1ccnc(NC(=O)CCSc2ccccc2Br)c1 ZINC000176913514 823323091 /nfs/dbraw/zinc/32/30/91/823323091.db2.gz GUCONHUERZUVLW-UHFFFAOYSA-N 1 0 394.338 4.027 20 0 GIADRO CC(C)(C)OC(=O)N1CC[C@H](C[N@@H+]2CCC[C@@H]2CC(=O)c2cccs2)C1 ZINC000176915409 823323365 /nfs/dbraw/zinc/32/33/65/823323365.db2.gz ZCJZLMPXMHWENV-HZPDHXFCSA-N 1 0 378.538 4.042 20 0 GIADRO CC(C)n1c(-c2c[nH]c3ccccc23)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000572355593 823326400 /nfs/dbraw/zinc/32/64/00/823326400.db2.gz JAZDRWNGOBTYRS-SJORKVTESA-N 1 0 378.524 4.070 20 0 GIADRO COc1ccc(OC)c(-c2csc(NC(=O)[C@H]3CCCCCC[C@@H]3[NH3+])n2)c1 ZINC000572355433 823326408 /nfs/dbraw/zinc/32/64/08/823326408.db2.gz NSBSZONNZKEBBE-HOCLYGCPSA-N 1 0 389.521 4.064 20 0 GIADRO Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000057711098 823323839 /nfs/dbraw/zinc/32/38/39/823323839.db2.gz RJGSKFWWZAAUNH-JTQLQIEISA-N 1 0 382.291 4.169 20 0 GIADRO COc1ccc([C@H](CNC(=O)Nc2ccc3c(c2)CCN3)[NH+]2CCCCC2)cc1 ZINC000572345473 823324865 /nfs/dbraw/zinc/32/48/65/823324865.db2.gz MLFYESZABHNMFT-QFIPXVFZSA-N 1 0 394.519 4.012 20 0 GIADRO CC[C@@H]([NH2+]CC(=O)NC[C@H]1CCN(c2ccccc2)C1)c1ccc(Cl)cc1 ZINC000122241075 823326536 /nfs/dbraw/zinc/32/65/36/823326536.db2.gz WTDGHYDCWSKUNC-DYESRHJHSA-N 1 0 385.939 4.023 20 0 GIADRO C[C@H](NC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)c1ccc(OCc2cccnc2)cc1 ZINC000122233495 823325504 /nfs/dbraw/zinc/32/55/04/823325504.db2.gz BSICJXITJDKTAQ-RDGPPVDQSA-N 1 0 381.520 4.099 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cc(C(F)(F)F)ccc2OCC)C1 ZINC000176923443 823325625 /nfs/dbraw/zinc/32/56/25/823325625.db2.gz GGHKVCVIVLCPNQ-CQSZACIVSA-N 1 0 387.446 4.300 20 0 GIADRO CN(C)C(=O)Sc1ccc(C[N@H+](CCCO)[C@H]2CCc3ccccc32)cc1 ZINC000176926315 823325910 /nfs/dbraw/zinc/32/59/10/823325910.db2.gz ODOPBMHPKUKOJB-NRFANRHFSA-N 1 0 384.545 4.332 20 0 GIADRO Cc1cc(C)n(-c2ccc(C(=O)NCc3ccc(C[NH+]4CCCC4)cc3)cc2)n1 ZINC000015140051 818294401 /nfs/dbraw/zinc/29/44/01/818294401.db2.gz FNOUQTJEYCUCLM-UHFFFAOYSA-N 1 0 388.515 4.015 20 0 GIADRO C[NH+](C)[C@@H](CNC(=S)Nc1cc(Cl)cc(Cl)c1)Cc1ccccc1 ZINC000015152136 818295698 /nfs/dbraw/zinc/29/56/98/818295698.db2.gz CSPMIIPOUQMCFJ-QGZVFWFLSA-N 1 0 382.360 4.453 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)[C@H](C)C1 ZINC000122245657 823326987 /nfs/dbraw/zinc/32/69/87/823326987.db2.gz PUALWDBWCRYUOH-BEFAXECRSA-N 1 0 396.560 4.198 20 0 GIADRO CCn1c(-c2ccc(Cl)cc2F)nnc1N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000460237756 823327142 /nfs/dbraw/zinc/32/71/42/823327142.db2.gz AZXFXPZHKMPJKN-ZFWWWQNUSA-N 1 0 379.911 4.067 20 0 GIADRO O=C(c1ccccc1)C(C(=S)Nc1cccc(Cl)c1)[n+]1cccc(CO)c1 ZINC000015246584 818302222 /nfs/dbraw/zinc/30/22/22/818302222.db2.gz ZPAWHXGWEXIUDK-UHFFFAOYSA-O 1 0 397.907 4.171 20 0 GIADRO COc1cc(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)ccc1OC(F)F ZINC000015301200 818310009 /nfs/dbraw/zinc/31/00/09/818310009.db2.gz GTLARHDTUDKGJZ-MRXNPFEDSA-N 1 0 391.414 4.405 20 0 GIADRO O=S(=O)(NCc1ccc(C[NH+]2CCCC2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000015336011 818314349 /nfs/dbraw/zinc/31/43/49/818314349.db2.gz WGGPZULNLLQBFT-UHFFFAOYSA-N 1 0 399.343 4.068 20 0 GIADRO C[NH+](C)Cc1ccnc(NC(=O)c2ccc(Oc3ccc(F)cc3F)cc2)c1 ZINC000176934182 823328061 /nfs/dbraw/zinc/32/80/61/823328061.db2.gz BWQZEGQXXCRZBM-UHFFFAOYSA-N 1 0 383.398 4.466 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNS(=O)(=O)/C=C/c2ccc(Cl)cc2)cc1 ZINC000015359612 818316904 /nfs/dbraw/zinc/31/69/04/818316904.db2.gz QIUATNHQEIDKCK-BUHFOSPRSA-N 1 0 392.952 4.272 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)CSc3ccc(C)cc3C)cc2)CC1 ZINC000015414602 818323394 /nfs/dbraw/zinc/32/33/94/818323394.db2.gz WETRIZKDMYPIOZ-UHFFFAOYSA-N 1 0 383.561 4.176 20 0 GIADRO COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCC[C@@H]2C)cc1 ZINC000409860577 823328774 /nfs/dbraw/zinc/32/87/74/823328774.db2.gz UTUIMRCFBWSDDC-TXPKVOOTSA-N 1 0 395.503 4.053 20 0 GIADRO CCOC(=O)C1(C)CCC([NH2+]Cc2ccncc2OCc2ccccc2)CC1 ZINC000572371908 823328890 /nfs/dbraw/zinc/32/88/90/823328890.db2.gz UFRCRBXMUAQZCM-UHFFFAOYSA-N 1 0 382.504 4.262 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1scnc1C(C)(C)C ZINC000176937035 823328894 /nfs/dbraw/zinc/32/88/94/823328894.db2.gz BZKQCSFQSGJIBN-SFHVURJKSA-N 1 0 385.577 4.425 20 0 GIADRO O=C(CC[N@@H+]1CCC[C@@H]1c1cccs1)Nc1ccc(N2CCCC2=O)cc1 ZINC000015479345 818328178 /nfs/dbraw/zinc/32/81/78/818328178.db2.gz WLPXZSYWFMZDIE-GOSISDBHSA-N 1 0 383.517 4.041 20 0 GIADRO CC[NH+](CC)CCOc1ccc(NC(=O)Nc2cnn([C@@H](C)C3CC3)c2)cc1 ZINC000188924637 823329028 /nfs/dbraw/zinc/32/90/28/823329028.db2.gz QKPDLEQSBHDSMD-INIZCTEOSA-N 1 0 385.512 4.219 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)Nc1ccc(OC(C)C)cc1)[NH+]1CCCC1 ZINC000057759641 823329385 /nfs/dbraw/zinc/32/93/85/823329385.db2.gz DTJQSZMCGJVXDC-NRFANRHFSA-N 1 0 397.519 4.441 20 0 GIADRO CC[C@@H]1c2ccsc2CC[N@H+]1CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000015547519 818337049 /nfs/dbraw/zinc/33/70/49/818337049.db2.gz LLGBHODEJMQVMF-LJQANCHMSA-N 1 0 397.544 4.213 20 0 GIADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1ccc2scnc2c1 ZINC000176948825 823332088 /nfs/dbraw/zinc/33/20/88/823332088.db2.gz YIMYYGBCKGKNHD-SFHVURJKSA-N 1 0 395.532 4.210 20 0 GIADRO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(OCc2ccccc2)cc1 ZINC000015574396 818341030 /nfs/dbraw/zinc/34/10/30/818341030.db2.gz WBWWZHJMAHWACQ-QHCPKHFHSA-N 1 0 386.495 4.270 20 0 GIADRO CC1(C(=O)N[C@H]2CCCc3cc(N)ccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000572392946 823332170 /nfs/dbraw/zinc/33/21/70/823332170.db2.gz JEFUDLTVOXZDLD-QFIPXVFZSA-N 1 0 377.532 4.065 20 0 GIADRO C[C@@H](c1ccccc1F)N1CCC[C@@H]([NH2+]Cc2cccc(OC(F)F)c2)C1=O ZINC000572382798 823330283 /nfs/dbraw/zinc/33/02/83/823330283.db2.gz GPFKKDTWZCYYFH-IFXJQAMLSA-N 1 0 392.421 4.269 20 0 GIADRO Cc1cc(Br)cc(C)c1NC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000057773953 823331126 /nfs/dbraw/zinc/33/11/26/823331126.db2.gz ULEHHSYUTVFDQG-UHFFFAOYSA-N 1 0 382.346 4.309 20 0 GIADRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3nc(-c4ccccc4Cl)cs3)[C@@H]2C1 ZINC000572401484 823332966 /nfs/dbraw/zinc/33/29/66/823332966.db2.gz BGMGJEQBEZKLNG-YXJHDRRASA-N 1 0 389.952 4.200 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)Nc2nnc(-c3ccsc3)s2)C1 ZINC000057787274 823333006 /nfs/dbraw/zinc/33/30/06/823333006.db2.gz ZNQNMAFRSPYDCQ-OKILXGFUSA-N 1 0 393.582 4.146 20 0 GIADRO COc1ccccc1Cc1nnc(S[C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000572426617 823337262 /nfs/dbraw/zinc/33/72/62/823337262.db2.gz IYWNLQLPODQINE-GOSISDBHSA-N 1 0 381.501 4.036 20 0 GIADRO COc1ccc(Cl)cc1C(=O)Nc1cc(Cl)ccc1N1CC[NH+](C)CC1 ZINC000016002648 818383793 /nfs/dbraw/zinc/38/37/93/818383793.db2.gz IDVOCYHCFIHHFR-UHFFFAOYSA-N 1 0 394.302 4.006 20 0 GIADRO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)Cc2c(F)cccc2Cl)CC1 ZINC000016002821 818383886 /nfs/dbraw/zinc/38/38/86/818383886.db2.gz KWGWCELEQBFBKS-UHFFFAOYSA-N 1 0 396.293 4.066 20 0 GIADRO C[NH+](C)CCOc1ccccc1C(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000176955773 823333804 /nfs/dbraw/zinc/33/38/04/823333804.db2.gz OUEPAVFVTUZCKD-UHFFFAOYSA-N 1 0 380.410 4.374 20 0 GIADRO C[C@@H](C[NH2+]CCCN1C(=O)COc2ccccc21)c1ccc(C(F)(F)F)cc1 ZINC000572407716 823334061 /nfs/dbraw/zinc/33/40/61/823334061.db2.gz FHDUZXDYMKTFJE-HNNXBMFYSA-N 1 0 392.421 4.214 20 0 GIADRO C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)o1 ZINC000409892137 823337482 /nfs/dbraw/zinc/33/74/82/823337482.db2.gz QGAFRAQEJWEWOJ-ZWQIFLOQSA-N 1 0 395.503 4.035 20 0 GIADRO COc1ccccc1[C@H](CNC(=S)Nc1ccc(Cl)cc1)[NH+]1CCCC1 ZINC000016241272 818408808 /nfs/dbraw/zinc/40/88/08/818408808.db2.gz ANMDNDCONKEANA-SFHVURJKSA-N 1 0 389.952 4.472 20 0 GIADRO COc1ccc([C@H](CNC(=S)Nc2ccccc2F)[NH+]2CCCCC2)cc1 ZINC000016318399 818423221 /nfs/dbraw/zinc/42/32/21/818423221.db2.gz ZWUGRKUEYUQKAV-FQEVSTJZSA-N 1 0 387.524 4.348 20 0 GIADRO O=C(Nc1cc(Cl)ccc1NC1CC1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000572422031 823336322 /nfs/dbraw/zinc/33/63/22/823336322.db2.gz QKFZOGKYQGQHLS-MRXNPFEDSA-N 1 0 379.957 4.070 20 0 GIADRO Cc1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000016402227 818436134 /nfs/dbraw/zinc/43/61/34/818436134.db2.gz ZMHFNTXHGXQROC-GOSISDBHSA-N 1 0 380.488 4.165 20 0 GIADRO Cc1cc(C(=O)N2CCC([N@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)co1 ZINC000188976948 823337177 /nfs/dbraw/zinc/33/71/77/823337177.db2.gz WUNXDPCDCFRKDY-UHFFFAOYSA-N 1 0 380.410 4.343 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(Sc3ncccn3)cc2C)C1 ZINC000176950140 823332442 /nfs/dbraw/zinc/33/24/42/823332442.db2.gz UDRFGYPYCGZSQA-QGZVFWFLSA-N 1 0 399.564 4.132 20 0 GIADRO CCOC(=O)Nc1ccc2c(C[N@H+](C)Cc3ccc(OC)cc3)cc(=O)oc2c1 ZINC000016554416 818454522 /nfs/dbraw/zinc/45/45/22/818454522.db2.gz KOWKBTNQNDLQNC-UHFFFAOYSA-N 1 0 396.443 4.002 20 0 GIADRO CC(C)(C)C[C@H]1CCC[N@@H+]1Cc1nc(C(C)(C)NC(=O)OC(C)(C)C)no1 ZINC000057862669 823342867 /nfs/dbraw/zinc/34/28/67/823342867.db2.gz JOTVEJMUDCRWHB-CQSZACIVSA-N 1 0 380.533 4.230 20 0 GIADRO CC[N@H+](C)[C@H](C(=O)NCc1ccc(COCC(F)(F)F)cc1)c1ccccc1 ZINC000057826851 823338446 /nfs/dbraw/zinc/33/84/46/823338446.db2.gz HMUYJNIDJODGJY-IBGZPJMESA-N 1 0 394.437 4.075 20 0 GIADRO FC(F)SCc1ccc(C[NH2+]CCC2CCN(CC(F)(F)F)CC2)o1 ZINC000176986477 823342922 /nfs/dbraw/zinc/34/29/22/823342922.db2.gz VBFPYSNXJLZCMU-UHFFFAOYSA-N 1 0 386.430 4.489 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)CCC(=O)c2ccc(Cl)cc2)cc1 ZINC000016779954 818477439 /nfs/dbraw/zinc/47/74/39/818477439.db2.gz HMYHUHMVKGPBKE-UHFFFAOYSA-N 1 0 386.923 4.461 20 0 GIADRO CC(C)C(=O)Nc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)cc1 ZINC000572443864 823339996 /nfs/dbraw/zinc/33/99/96/823339996.db2.gz KHIGBLLQLAHGOQ-FQEVSTJZSA-N 1 0 386.540 4.200 20 0 GIADRO Cc1ccc(C(=O)N2CCC([NH+]3CCCC3)CC2)c(Sc2ccccc2)n1 ZINC000122335459 823340097 /nfs/dbraw/zinc/34/00/97/823340097.db2.gz ADKCBQAPNLGKJM-UHFFFAOYSA-N 1 0 381.545 4.242 20 0 GIADRO COc1ccc(CN2CCC[C@H]2c2cccnc2)c(OCc2cccnc2)c1 ZINC000572444890 823340337 /nfs/dbraw/zinc/34/03/37/823340337.db2.gz JQBCKDLLQCWZHU-QFIPXVFZSA-N 1 0 375.472 4.401 20 0 GIADRO O=C(Cc1cccc(OC(F)F)c1)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000409903595 823340489 /nfs/dbraw/zinc/34/04/89/823340489.db2.gz QKAUBJPCHOBBKH-LJQANCHMSA-N 1 0 388.458 4.001 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000189003689 823340716 /nfs/dbraw/zinc/34/07/16/823340716.db2.gz OSAIWAAGYSWQHJ-UHFFFAOYSA-N 1 0 389.478 4.163 20 0 GIADRO COC(=O)c1cc(C[NH2+]C(C)(C)c2ccc(Br)c(C)c2)oc1C ZINC000572446832 823340831 /nfs/dbraw/zinc/34/08/31/823340831.db2.gz JVNAUCIMVXNEII-UHFFFAOYSA-N 1 0 380.282 4.470 20 0 GIADRO Cc1ccc2c(C[N@@H+](C)[C@@H](C)c3ccc(-n4cncn4)cc3)cc(=O)oc2c1C ZINC000017306049 818506791 /nfs/dbraw/zinc/50/67/91/818506791.db2.gz WTXYOFJCJRWBSA-KRWDZBQOSA-N 1 0 388.471 4.184 20 0 GIADRO Cc1cc(NC(=O)NC[C@@H](C)C[NH+]2CCCCC2)ccc1NC(=O)c1ccco1 ZINC000057849958 823341410 /nfs/dbraw/zinc/34/14/10/823341410.db2.gz STQUCEIAFKBMGD-MRXNPFEDSA-N 1 0 398.507 4.084 20 0 GIADRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1occc1Br ZINC000176981528 823341476 /nfs/dbraw/zinc/34/14/76/823341476.db2.gz XGCAPQNYFRZGHN-UHFFFAOYSA-N 1 0 395.322 4.152 20 0 GIADRO C[NH+](C)CCCNC(=S)N[C@H](c1cccs1)c1ccc2c(c1)CCCC2 ZINC000017458251 818516229 /nfs/dbraw/zinc/51/62/29/818516229.db2.gz BPPDXDBZZHBDOG-FQEVSTJZSA-N 1 0 387.618 4.132 20 0 GIADRO CC1CC[NH+]([C@H](CNC(=O)N(C)Cc2ccc(O)cc2)c2ccccc2)CC1 ZINC000057854867 823341905 /nfs/dbraw/zinc/34/19/05/823341905.db2.gz OBIBCOFWECPAPA-JOCHJYFZSA-N 1 0 381.520 4.007 20 0 GIADRO C[NH+](C)CC1(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)CCCCC1 ZINC000460294708 823343380 /nfs/dbraw/zinc/34/33/80/823343380.db2.gz BYGXEFXNLWVTMM-UHFFFAOYSA-N 1 0 379.504 4.390 20 0 GIADRO C[NH+](C)CC1(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)CCCCC1 ZINC000460296775 823343774 /nfs/dbraw/zinc/34/37/74/823343774.db2.gz OZUASUKJUFMMSR-UHFFFAOYSA-N 1 0 385.533 4.451 20 0 GIADRO C[C@H]1C[C@H](NC(=O)Nc2ccc(-n3cccn3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000176990819 823343994 /nfs/dbraw/zinc/34/39/94/823343994.db2.gz YFDKAHGDXOBURX-GHTZIAJQSA-N 1 0 389.503 4.047 20 0 GIADRO CCc1ccc([C@@H](CNC(=O)CCc2nc3ccccc3s2)[NH+](C)C)cc1 ZINC000018017112 818539208 /nfs/dbraw/zinc/53/92/08/818539208.db2.gz SZBHLUCMXGNAPD-LJQANCHMSA-N 1 0 381.545 4.210 20 0 GIADRO C[C@@H](CCNC(=O)C(C)(C)c1ccccc1Br)[NH+]1CCCCC1 ZINC000409922582 823344814 /nfs/dbraw/zinc/34/48/14/823344814.db2.gz KRHAKAYPANLUPU-HNNXBMFYSA-N 1 0 381.358 4.107 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)CCc2cccc(C(F)(F)F)c2)[C@@H]1n1cccn1 ZINC000572468263 823345372 /nfs/dbraw/zinc/34/53/72/823345372.db2.gz ICMMNLSAJIXCDA-FDPIWHGQSA-N 1 0 381.442 4.231 20 0 GIADRO Cc1ccc(F)cc1NC(=O)[C@@H](C)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000057889326 823345420 /nfs/dbraw/zinc/34/54/20/823345420.db2.gz QDWYZIAWMVDCCR-GOSISDBHSA-N 1 0 375.532 4.049 20 0 GIADRO CN(CCC(=O)N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F)c1cc[nH+]cc1 ZINC000572466990 823345563 /nfs/dbraw/zinc/34/55/63/823345563.db2.gz DEKOWNHVUGFVOF-MRXNPFEDSA-N 1 0 389.780 4.120 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCc1cc(F)cc(F)c1 ZINC000057890296 823345713 /nfs/dbraw/zinc/34/57/13/823345713.db2.gz XKPXILKGFQFROI-INIZCTEOSA-N 1 0 387.474 4.339 20 0 GIADRO COc1cccc(C2(C[NH2+][C@@H](CCn3cncn3)c3ccc(C)cc3)CC2)c1 ZINC000572471396 823346056 /nfs/dbraw/zinc/34/60/56/823346056.db2.gz VCSGGGNJWJIUSU-QFIPXVFZSA-N 1 0 376.504 4.048 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C)c1ccc([S@](C)=O)cc1 ZINC000122378415 823346324 /nfs/dbraw/zinc/34/63/24/823346324.db2.gz RKZMBXNIWJXFME-UTFYPEDJSA-N 1 0 394.581 4.158 20 0 GIADRO COc1ccc2oc([C@@H](C)[NH2+][C@H](C)CS(=O)(=O)c3ccccc3)c(C)c2c1 ZINC000122378874 823346361 /nfs/dbraw/zinc/34/63/61/823346361.db2.gz UUZVMYABCRBBIL-GDBMZVCRSA-N 1 0 387.501 4.263 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CCc1ccc2ccccc2c1 ZINC000409936960 823347579 /nfs/dbraw/zinc/34/75/79/823347579.db2.gz JZGZLMXBLCBKJA-UHFFFAOYSA-N 1 0 387.527 4.471 20 0 GIADRO Brc1cccc(-c2c[nH]c(C[N@@H+]3CCC[C@@H]3[C@H]3CCCOC3)n2)c1 ZINC000572483872 823347709 /nfs/dbraw/zinc/34/77/09/823347709.db2.gz XYNGEYRMQAIROD-MAUKXSAKSA-N 1 0 390.325 4.230 20 0 GIADRO CC[S@](=O)c1ccccc1C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000122421566 823351489 /nfs/dbraw/zinc/35/14/89/823351489.db2.gz XJWOAHYPIPDISS-MUUNZHRXSA-N 1 0 398.572 4.120 20 0 GIADRO C[C@@H](Cc1ccccc1)C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000572508453 823351602 /nfs/dbraw/zinc/35/16/02/823351602.db2.gz BDLADOCQZDAKBX-KXBFYZLASA-N 1 0 378.438 4.303 20 0 GIADRO CCN1CCC[C@@H]1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 ZINC000020683456 818629842 /nfs/dbraw/zinc/62/98/42/818629842.db2.gz KDHAAUSGBDDTON-JOCHJYFZSA-N 1 0 390.531 4.122 20 0 GIADRO CCOC(=O)Nc1ccc(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)cc1 ZINC000020931135 818641703 /nfs/dbraw/zinc/64/17/03/818641703.db2.gz IDCQUMSSPAIGKD-UHFFFAOYSA-N 1 0 387.524 4.174 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(C)c(NC(=O)C(C)(C)C)c2)C1 ZINC000177030071 823354098 /nfs/dbraw/zinc/35/40/98/823354098.db2.gz ZQRNPZTXBYOKPG-QGZVFWFLSA-N 1 0 388.556 4.175 20 0 GIADRO CCCc1noc2nc(CC)cc(C(=O)N[C@@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)c12 ZINC000409959896 823354264 /nfs/dbraw/zinc/35/42/64/823354264.db2.gz MPIUTDXLLKRDIH-HOTGVXAUSA-N 1 0 398.551 4.121 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000021285880 818671837 /nfs/dbraw/zinc/67/18/37/818671837.db2.gz KFQGFIQAJZLRIX-UHFFFAOYSA-N 1 0 392.330 4.235 20 0 GIADRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cnccc1Oc1ccccc1 ZINC000409947844 823350803 /nfs/dbraw/zinc/35/08/03/823350803.db2.gz OSKPNCLMMFKVMX-HXUWFJFHSA-N 1 0 387.483 4.126 20 0 GIADRO C[C@@H](Cc1ccccc1)C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000572508452 823351326 /nfs/dbraw/zinc/35/13/26/823351326.db2.gz BDLADOCQZDAKBX-HNAYVOBHSA-N 1 0 378.438 4.303 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cnc(-c3ccccc3Cl)s2)[C@H](C)C1 ZINC000122449727 823356079 /nfs/dbraw/zinc/35/60/79/823356079.db2.gz JOMJBBUVASQLPH-CJNGLKHVSA-N 1 0 377.941 4.266 20 0 GIADRO Brc1ccc(/C=C/CC[NH+]2CCN(c3nccs3)CC2)cc1 ZINC000572558895 823361063 /nfs/dbraw/zinc/36/10/63/823361063.db2.gz RSFZHGDJAZUCMS-HNQUOIGGSA-N 1 0 378.339 4.131 20 0 GIADRO FC(F)(F)Cn1cc(C[NH2+]Cc2cc3cc(Br)ccc3o2)cn1 ZINC000572542730 823357899 /nfs/dbraw/zinc/35/78/99/823357899.db2.gz LDPGBWGRFVAYMA-UHFFFAOYSA-N 1 0 388.187 4.244 20 0 GIADRO C[C@H]1CN(C(=O)N[C@@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)CCC1(F)F ZINC000460339977 823358445 /nfs/dbraw/zinc/35/84/45/823358445.db2.gz QYRKCHAYXQJJAM-LPHOPBHVSA-N 1 0 393.522 4.146 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(-n4cccc4)cc3)c(C)c2)CC1 ZINC000021708376 818728557 /nfs/dbraw/zinc/72/85/57/818728557.db2.gz IGWTYCJNDBAPIR-UHFFFAOYSA-N 1 0 388.515 4.180 20 0 GIADRO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)c1cccc2c3c([nH]c21)CCCC3 ZINC000572548697 823358809 /nfs/dbraw/zinc/35/88/09/823358809.db2.gz JWSMZDMKRCIYAW-UHFFFAOYSA-N 1 0 390.531 4.036 20 0 GIADRO C[C@H](CO)[C@H](C)[NH2+][C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC000460345141 823359715 /nfs/dbraw/zinc/35/97/15/823359715.db2.gz FETDDBMLCQWQFL-FHSNZYRGSA-N 1 0 381.303 4.280 20 0 GIADRO CC1CC[NH+](C2CCC(NC(=O)C(C)(C)COCc3ccccc3)CC2)CC1 ZINC000409977132 823360105 /nfs/dbraw/zinc/36/01/05/823360105.db2.gz MEASNHLOUGGBLI-UHFFFAOYSA-N 1 0 386.580 4.389 20 0 GIADRO Cc1ccc(CNC(=O)c2nnc(C[NH2+][C@@H]3CCCC[C@@H]3C(C)C)s2)cc1 ZINC000460352528 823361505 /nfs/dbraw/zinc/36/15/05/823361505.db2.gz VVWGAQGRPLMTBX-QZTJIDSGSA-N 1 0 386.565 4.081 20 0 GIADRO C[C@@H](C[NH2+]Cc1cn2ccc(Br)cc2n1)COCc1ccccc1 ZINC000572566516 823362184 /nfs/dbraw/zinc/36/21/84/823362184.db2.gz OSWCPXLGCMOUJX-HNNXBMFYSA-N 1 0 388.309 4.039 20 0 GIADRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCC(=O)Nc1cccc(Cl)c1 ZINC000460357971 823363252 /nfs/dbraw/zinc/36/32/52/823363252.db2.gz JMBXAMPWCIWXCF-IAGOWNOFSA-N 1 0 385.939 4.025 20 0 GIADRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2nc3ccccc3s2)C1 ZINC000177067682 823363674 /nfs/dbraw/zinc/36/36/74/823363674.db2.gz KEHZUDVYDLNTCB-LSDHHAIUSA-N 1 0 375.538 4.422 20 0 GIADRO C[N@H+](CCNC(=O)c1ccc(C2SCCS2)cc1)Cc1ccc(F)cc1 ZINC000177068348 823363877 /nfs/dbraw/zinc/36/38/77/823363877.db2.gz PFIAPLVTNKKOSS-UHFFFAOYSA-N 1 0 390.549 4.166 20 0 GIADRO CCOc1ccc(-n2c(SCC[NH+](C)C)nnc2-c2cccc(C)c2)cc1 ZINC000058138591 823364238 /nfs/dbraw/zinc/36/42/38/823364238.db2.gz CULCBURHBFTHPU-UHFFFAOYSA-N 1 0 382.533 4.295 20 0 GIADRO CCOC(=O)CCCCN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022443896 818807216 /nfs/dbraw/zinc/80/72/16/818807216.db2.gz DDKNITHKXIZNRR-UHFFFAOYSA-N 1 0 380.532 4.127 20 0 GIADRO CCOCCC1(C[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)CCCC1 ZINC000122520748 823366272 /nfs/dbraw/zinc/36/62/72/823366272.db2.gz HREXFUVSTIDBQQ-UHFFFAOYSA-N 1 0 376.560 4.409 20 0 GIADRO C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+]Cc1cnn(CC(F)(F)F)c1 ZINC000572589913 823366427 /nfs/dbraw/zinc/36/64/27/823366427.db2.gz JTSNHMGYDNGZKZ-SNVBAGLBSA-N 1 0 382.213 4.309 20 0 GIADRO O=C(c1cc(F)c(Cl)cc1Cl)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000022611050 818833495 /nfs/dbraw/zinc/83/34/95/818833495.db2.gz NMFDTQSNANUOCD-UHFFFAOYSA-N 1 0 381.278 4.481 20 0 GIADRO CC(=O)N[C@]1(c2nc(-c3ccc(Oc4ccccc4)cc3)c(C)s2)CC[NH2+]C1 ZINC000572602468 823367927 /nfs/dbraw/zinc/36/79/27/823367927.db2.gz RKZMCROGLJBCRP-JOCHJYFZSA-N 1 0 393.512 4.236 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)CCn1ccc2ccccc21)c1cccc(OC)c1 ZINC000022700946 818847961 /nfs/dbraw/zinc/84/79/61/818847961.db2.gz HYNCXCQQJXPEJW-HSZRJFAPSA-N 1 0 393.531 4.239 20 0 GIADRO CC(C)c1ccc(/C=C/CC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000122533486 823368572 /nfs/dbraw/zinc/36/85/72/823368572.db2.gz VKAKDAALMNLMKY-MUOMCWOSSA-N 1 0 384.564 4.097 20 0 GIADRO C[N@@H+]1CCN(Cn2c(CCC3CCCC3)n[nH]c2=S)[C@@H](c2ccccc2)C1 ZINC000058205863 823368796 /nfs/dbraw/zinc/36/87/96/823368796.db2.gz GJWUYZJBGPWHKR-LJQANCHMSA-N 1 0 385.581 4.010 20 0 GIADRO CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]CC[C@H]2COc3ccccc3O2)cc1 ZINC000572610921 823368899 /nfs/dbraw/zinc/36/88/99/823368899.db2.gz FUYMFABKAHTUKM-APWZRJJASA-N 1 0 383.492 4.097 20 0 GIADRO C[C@@H]([NH2+]CCC(=O)N1CCc2ccccc2C1)c1ccc(-c2cccnc2)cc1 ZINC000189168615 823369408 /nfs/dbraw/zinc/36/94/08/823369408.db2.gz VPWZAIHBOHKZJD-LJQANCHMSA-N 1 0 385.511 4.374 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)NCC(C)(C)c1cccc(Cl)c1)c1cccs1 ZINC000058216911 823369422 /nfs/dbraw/zinc/36/94/22/823369422.db2.gz RLORWDHLYUKQGO-INIZCTEOSA-N 1 0 379.957 4.281 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(OCc3ccccc3)c(OC)c2)[C@H](C)C1 ZINC000122565901 823373730 /nfs/dbraw/zinc/37/37/30/823373730.db2.gz GBGVREPWIKMRLZ-WIYYLYMNSA-N 1 0 396.531 4.077 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)c2ccccc2OC[C@H]2CCCO2)cc1 ZINC000022872409 818869000 /nfs/dbraw/zinc/86/90/00/818869000.db2.gz FKGQNJROYJNTJQ-OAQYLSRUSA-N 1 0 396.531 4.016 20 0 GIADRO Cc1ccc([C@@H]2CCCCCN2C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)o1 ZINC000572614965 823369782 /nfs/dbraw/zinc/36/97/82/823369782.db2.gz NUDSFOGCCIYPOB-OALUTQOASA-N 1 0 376.566 4.249 20 0 GIADRO CCCCCCOc1ccc(C(=O)NC2CC[NH+](C(C)C)CC2)cc1OC ZINC000022989540 818885577 /nfs/dbraw/zinc/88/55/77/818885577.db2.gz DWWNWIOOCRZRNI-UHFFFAOYSA-N 1 0 376.541 4.257 20 0 GIADRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)c1ccc(Br)cc1 ZINC000023014779 818887685 /nfs/dbraw/zinc/88/76/85/818887685.db2.gz ZQPTVAKQCMBYMW-UHFFFAOYSA-N 1 0 387.321 4.091 20 0 GIADRO Cc1c(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)cccc1-c1ccccn1 ZINC000122554606 823371760 /nfs/dbraw/zinc/37/17/60/823371760.db2.gz WAMSRRKZHUWLJE-UHFFFAOYSA-N 1 0 377.463 4.188 20 0 GIADRO COc1cccc([C@H](CNC(=O)CCc2ccc(Cl)cc2Cl)[NH+](C)C)c1 ZINC000023195555 818907602 /nfs/dbraw/zinc/90/76/02/818907602.db2.gz LBEIXASXVYISGW-IBGZPJMESA-N 1 0 395.330 4.354 20 0 GIADRO CC[NH+](CC)CCOc1ccc(CNC(=O)Cc2ccc3ccccc3c2)cc1 ZINC000058257650 823372271 /nfs/dbraw/zinc/37/22/71/823372271.db2.gz QZHRBWDTOMNCGU-UHFFFAOYSA-N 1 0 390.527 4.419 20 0 GIADRO CCc1nc(CN2CCC(C[NH2+]CC3(CCOC)CCCCC3)CC2)cs1 ZINC000189186983 823372334 /nfs/dbraw/zinc/37/23/34/823372334.db2.gz KZQBZOZPGNZTKZ-UHFFFAOYSA-N 1 0 393.641 4.494 20 0 GIADRO CC[NH+](CC)CCOc1ccc(CNC(=O)c2nc(Cl)ccc2Cl)cc1 ZINC000058258270 823372373 /nfs/dbraw/zinc/37/23/73/823372373.db2.gz DJLRDYOCYYCORY-UHFFFAOYSA-N 1 0 396.318 4.039 20 0 GIADRO CC(C)c1c(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cnn1-c1ccccc1Cl ZINC000189187195 823372473 /nfs/dbraw/zinc/37/24/73/823372473.db2.gz BGWNMVYXQMOEMM-LSDHHAIUSA-N 1 0 386.927 4.004 20 0 GIADRO Cc1cc(/C=C(/C#N)C(=O)N2CCC([NH+]3CCCCC3)CC2)c(C)n1CC(C)C ZINC000058268808 823372788 /nfs/dbraw/zinc/37/27/88/823372788.db2.gz BTNFFUPVRQNKPN-JCMHNJIXSA-N 1 0 396.579 4.145 20 0 GIADRO COc1ccc(NC(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCCC2)cc1 ZINC000023233138 818915388 /nfs/dbraw/zinc/91/53/88/818915388.db2.gz WVZILDYTWGKKQJ-OAQYLSRUSA-N 1 0 383.492 4.053 20 0 GIADRO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)C[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000023356026 818927870 /nfs/dbraw/zinc/92/78/70/818927870.db2.gz WJDSZCJKRMICHN-YBOAYWMSSA-N 1 0 375.459 4.413 20 0 GIADRO COc1ccc(CC[C@@H](C)[NH2+]CCCS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000572650262 823375257 /nfs/dbraw/zinc/37/52/57/823375257.db2.gz WQWXQZCKSUOPSA-MRXNPFEDSA-N 1 0 395.952 4.123 20 0 GIADRO Cc1cc([C@@H]([NH2+]CC2(CO)CCOCC2)c2cccc(Cl)c2)c(C)s1 ZINC000572651568 823375530 /nfs/dbraw/zinc/37/55/30/823375530.db2.gz HJLXLJHRQDBNEC-IBGZPJMESA-N 1 0 379.953 4.486 20 0 GIADRO Cc1ccc([C@H](CNC(=O)c2ccccc2NCc2cccnc2)[NH+](C)C)cc1 ZINC000177120837 823376234 /nfs/dbraw/zinc/37/62/34/823376234.db2.gz WPHDYAJVEGXQKO-QHCPKHFHSA-N 1 0 388.515 4.035 20 0 GIADRO O[C@@H](C[C@@H]1CCC[N@@H+]1Cc1ccc(OCc2ccncc2)cc1)c1ccco1 ZINC000177121310 823376250 /nfs/dbraw/zinc/37/62/50/823376250.db2.gz WXFRILAVMNUGJQ-UNMCSNQZSA-N 1 0 378.472 4.342 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(-c3noc(CC(C)(C)C)n3)c2)[C@H](C)C1 ZINC000122580533 823376344 /nfs/dbraw/zinc/37/63/44/823376344.db2.gz WFSORARAXBMGLI-APWZRJJASA-N 1 0 398.551 4.128 20 0 GIADRO O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1cc(F)c(F)cc1F ZINC000572655415 823376412 /nfs/dbraw/zinc/37/64/12/823376412.db2.gz ASCLQLYEOLDFED-MRXNPFEDSA-N 1 0 376.422 4.136 20 0 GIADRO C[C@@H](CO)[C@@H](C)[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000572655255 823376545 /nfs/dbraw/zinc/37/65/45/823376545.db2.gz WZRMMPYZQMRQOY-DLBZAZTESA-N 1 0 383.923 4.358 20 0 GIADRO Cc1ccccc1-c1nnc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1C1CC1 ZINC000572654500 823376581 /nfs/dbraw/zinc/37/65/81/823376581.db2.gz FGQZRIFGCKODBG-UTKZUKDTSA-N 1 0 377.536 4.042 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1)c1ccccn1 ZINC000023675569 818972417 /nfs/dbraw/zinc/97/24/17/818972417.db2.gz WTHNXQFSBBVJDA-KKSFZXQISA-N 1 0 398.453 4.178 20 0 GIADRO Cc1nc2cc(F)ccc2cc1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000023741942 818978041 /nfs/dbraw/zinc/97/80/41/818978041.db2.gz OXGXQFWWKYZACI-JOCHJYFZSA-N 1 0 377.463 4.249 20 0 GIADRO CC1CC[NH+](CCCCNC(=O)c2ccccc2C(=O)c2ccc(F)cc2)CC1 ZINC000058309153 823377365 /nfs/dbraw/zinc/37/73/65/823377365.db2.gz ZSDLWWKRHPQKEY-UHFFFAOYSA-N 1 0 396.506 4.299 20 0 GIADRO COCCC1(C[NH2+]CC2(N[C@@H](C)c3ccccc3)CCOCC2)CCCCC1 ZINC000189231684 823379116 /nfs/dbraw/zinc/37/91/16/823379116.db2.gz SRNPTFFKXHXHNO-NRFANRHFSA-N 1 0 388.596 4.463 20 0 GIADRO CCc1noc(-c2ccc(C)c(NC(=O)NCCCC[N@@H+]3CCCC[C@H]3C)c2)n1 ZINC000177150543 823383791 /nfs/dbraw/zinc/38/37/91/823383791.db2.gz WEMNLULHNGLKMD-QGZVFWFLSA-N 1 0 399.539 4.384 20 0 GIADRO Cc1nc2cc(C(=O)N(C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)ccc2n1Cc1ccsc1 ZINC000410070507 823383762 /nfs/dbraw/zinc/38/37/62/823383762.db2.gz YERYESFXCMWLIU-HNAYVOBHSA-N 1 0 396.560 4.009 20 0 GIADRO COc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000023994824 819004397 /nfs/dbraw/zinc/00/43/97/819004397.db2.gz WMXUAGXOWUCCOW-OLZOCXBDSA-N 1 0 377.282 4.136 20 0 GIADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000572670954 823379462 /nfs/dbraw/zinc/37/94/62/823379462.db2.gz JBVGBIGRUQPSFV-OPNNQBFTSA-N 1 0 395.469 4.220 20 0 GIADRO CC[C@@H](C)[NH2+][C@H](CNC(=O)Cc1csc(-c2ccc(C)o2)n1)c1ccco1 ZINC000572673768 823379961 /nfs/dbraw/zinc/37/99/61/823379961.db2.gz NKQAMAVHVDBOSI-CZUORRHYSA-N 1 0 387.505 4.093 20 0 GIADRO Cc1cccc(-c2nc(CC(=O)NCc3ccc(C[NH+](C)C)cc3)cs2)c1 ZINC000024067149 819018011 /nfs/dbraw/zinc/01/80/11/819018011.db2.gz IGFZEFWSIURLGX-UHFFFAOYSA-N 1 0 379.529 4.039 20 0 GIADRO Cc1nn(CC(C)C)c(C)c1CCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000024115894 819026355 /nfs/dbraw/zinc/02/63/55/819026355.db2.gz XBAMRLHFEAOTOJ-UHFFFAOYSA-N 1 0 396.579 4.001 20 0 GIADRO CCOc1ccccc1CCC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000024186572 819030912 /nfs/dbraw/zinc/03/09/12/819030912.db2.gz WBNXRPVWMOYZKR-UHFFFAOYSA-N 1 0 380.532 4.320 20 0 GIADRO O=C(Cc1cccc(C(F)(F)F)c1)NCc1ccccc1C[NH+]1CCCC1 ZINC000024189783 819030974 /nfs/dbraw/zinc/03/09/74/819030974.db2.gz GNWVITMAMLAICN-UHFFFAOYSA-N 1 0 376.422 4.160 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)c2nnc(C3CCC3)n2CCc2ccccc2)C[C@H]1C ZINC000460414464 823381379 /nfs/dbraw/zinc/38/13/79/823381379.db2.gz AWVCZWHTILKARG-WIYYLYMNSA-N 1 0 381.568 4.097 20 0 GIADRO CC[C@@H]([NH2+]CC(=O)N[C@@H](C)c1cc(OC)ccc1OC)c1ccc(Cl)cc1 ZINC000024254623 819039538 /nfs/dbraw/zinc/03/95/38/819039538.db2.gz RFDXVRNZQRGHGM-IFXJQAMLSA-N 1 0 390.911 4.275 20 0 GIADRO CC[C@H]([NH2+]CC(=O)Nc1cccc(N2CCCC2=O)c1)c1ccc(Cl)cc1 ZINC000024255599 819040292 /nfs/dbraw/zinc/04/02/92/819040292.db2.gz MNQBJHDUHCQKOW-IBGZPJMESA-N 1 0 385.895 4.146 20 0 GIADRO Cc1ccc(OCC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c(C)c1 ZINC000024276284 819041329 /nfs/dbraw/zinc/04/13/29/819041329.db2.gz YGKGXSNSGWVDOE-UHFFFAOYSA-N 1 0 386.923 4.116 20 0 GIADRO c1ccc(CC[N@@H+](CCCc2nc(-c3ccccc3)no2)[C@@H]2CCOC2)cc1 ZINC000177145719 823382398 /nfs/dbraw/zinc/38/23/98/823382398.db2.gz QPFCHKNIFFFWJH-OAQYLSRUSA-N 1 0 377.488 4.003 20 0 GIADRO Fc1ccc(C2(C[NH2+]Cc3cn(Cc4cccnc4)nn3)CCCC2)c(Cl)c1 ZINC000189260645 823382839 /nfs/dbraw/zinc/38/28/39/823382839.db2.gz YFJSNSQATVFJLE-UHFFFAOYSA-N 1 0 399.901 4.116 20 0 GIADRO CCSc1cccc(Br)c1NC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000572686664 823383084 /nfs/dbraw/zinc/38/30/84/823383084.db2.gz WIDNIASKRYGJPS-NWDGAFQWSA-N 1 0 386.359 4.165 20 0 GIADRO O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)c1cc(O)ccc1C(F)(F)F ZINC000189272276 823384546 /nfs/dbraw/zinc/38/45/46/823384546.db2.gz CWRNFWPUBWVLIU-MRXNPFEDSA-N 1 0 392.421 4.196 20 0 GIADRO C[C@H](NC(=O)C(C)(C)COCc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000410076570 823385050 /nfs/dbraw/zinc/38/50/50/823385050.db2.gz PQMWMAJIYNXSJS-REWPJTCUSA-N 1 0 394.559 4.256 20 0 GIADRO COc1ccc2c(c1)oc(C(=O)NC1C[C@H]3CC[C@@H](C1)[N@H+]3C)c2-c1ccccc1 ZINC000572696948 823385231 /nfs/dbraw/zinc/38/52/31/823385231.db2.gz HBSMLWIQZXLHLF-AYHJJNSGSA-N 1 0 390.483 4.463 20 0 GIADRO C[N@H+](CCOc1ccc(-c2noc([C@@H]3CCCO3)n2)cc1)Cc1ccc(F)cc1 ZINC000189280557 823385797 /nfs/dbraw/zinc/38/57/97/823385797.db2.gz ACPZLKGIGPNBLG-FQEVSTJZSA-N 1 0 397.450 4.238 20 0 GIADRO CC[C@H](C)c1nnc(N2C[C@H]([NH+]3CCCC3)C[C@H]2C)n1CCc1ccccc1 ZINC000460427577 823385898 /nfs/dbraw/zinc/38/58/98/823385898.db2.gz CJEXOVFWLLABKK-QKNQBKEWSA-N 1 0 381.568 4.097 20 0 GIADRO CC(=O)c1ccccc1OCC[N@@H+](Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000177156611 823386238 /nfs/dbraw/zinc/38/62/38/823386238.db2.gz WXNVOAXBVHXFAS-NRFANRHFSA-N 1 0 379.456 4.097 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 ZINC000058400359 823386549 /nfs/dbraw/zinc/38/65/49/823386549.db2.gz QIXWPLPVOMNWHB-MOPGFXCFSA-N 1 0 382.470 4.444 20 0 GIADRO CC[C@H](C)[NH2+][C@H](CNC(=O)CCc1ncc(-c2ccccc2F)o1)c1ccco1 ZINC000572709261 823386871 /nfs/dbraw/zinc/38/68/71/823386871.db2.gz XKEHNBBHHRCYDD-MAUKXSAKSA-N 1 0 399.466 4.252 20 0 GIADRO CC(C)c1ccccc1-n1c(SC[C@@H](C)[NH+](C)C)nnc1-c1cccnc1 ZINC000460431722 823387202 /nfs/dbraw/zinc/38/72/02/823387202.db2.gz WZKBOPHKOXEFAU-MRXNPFEDSA-N 1 0 381.549 4.495 20 0 GIADRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)c1cc(O)ccc1C(F)(F)F ZINC000189287441 823387439 /nfs/dbraw/zinc/38/74/39/823387439.db2.gz BULFFXPIRHOTEF-UHFFFAOYSA-N 1 0 398.450 4.115 20 0 GIADRO COCCC1(C[NH2+]C[C@H]2CCN(c3cc(OC)cc(OC)c3)C2)CCCCC1 ZINC000189287608 823387498 /nfs/dbraw/zinc/38/74/98/823387498.db2.gz FMJLOZYGLCOBSD-LJQANCHMSA-N 1 0 390.568 4.107 20 0 GIADRO C[N@H+](Cc1csc(-c2ccc(C(N)=O)cc2)n1)CC1(c2ccccc2)CC1 ZINC000189295431 823389180 /nfs/dbraw/zinc/38/91/80/823389180.db2.gz DKOXMQDJFVFGJM-UHFFFAOYSA-N 1 0 377.513 4.073 20 0 GIADRO C[NH+](C)Cc1cccc(C(=O)N2CCC[C@@H](COc3ccccc3Cl)C2)c1 ZINC000122650669 823388239 /nfs/dbraw/zinc/38/82/39/823388239.db2.gz KRLGEOFXFIGVPH-GOSISDBHSA-N 1 0 386.923 4.333 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000058417061 823388229 /nfs/dbraw/zinc/38/82/29/823388229.db2.gz YYZXVPGPKNYYOB-UHFFFAOYSA-N 1 0 394.519 4.343 20 0 GIADRO FC(F)(F)c1ccn(-c2ccc(C[N@@H+]3CCC[C@@H]3[C@H]3CCCOC3)cc2)n1 ZINC000572721906 823388819 /nfs/dbraw/zinc/38/88/19/823388819.db2.gz JKLYYZLGTMNRAM-FUHWJXTLSA-N 1 0 379.426 4.282 20 0 GIADRO Cc1cc(C)n([C@H](C)CC(=O)N[C@@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)n1 ZINC000410107445 823393949 /nfs/dbraw/zinc/39/39/49/823393949.db2.gz VINYQFIRSYCTPF-KNQAVFIVSA-N 1 0 396.579 4.040 20 0 GIADRO C[C@@H]([NH2+][C@@H](c1ccc(Cl)cc1)C1CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177185114 823393971 /nfs/dbraw/zinc/39/39/71/823393971.db2.gz UJUHSVNXAKPMCJ-JLTOFOAXSA-N 1 0 392.952 4.392 20 0 GIADRO COc1ccc(-c2nnc(SC[C@H](C)[NH+](C)C)n2CCc2ccccc2)cc1 ZINC000460449923 823393291 /nfs/dbraw/zinc/39/32/91/823393291.db2.gz ZSFOUAKJRFOPOD-KRWDZBQOSA-N 1 0 396.560 4.239 20 0 GIADRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc(OC(C)C)c(OC)c2)cc1 ZINC000572730384 823389835 /nfs/dbraw/zinc/38/98/35/823389835.db2.gz QNUUBZJSKSIWMQ-INIZCTEOSA-N 1 0 391.533 4.127 20 0 GIADRO O=C(c1c[nH]cc1-c1ccccc1)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000572729118 823389937 /nfs/dbraw/zinc/38/99/37/823389937.db2.gz PNTNRSXJLCDPTN-RUZDIDTESA-N 1 0 385.511 4.420 20 0 GIADRO CN(Cc1cccc(OC(F)(F)F)c1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000122664744 823390309 /nfs/dbraw/zinc/39/03/09/823390309.db2.gz VVSUKBCRXHGLIK-UHFFFAOYSA-N 1 0 399.457 4.134 20 0 GIADRO C[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000410131607 823398471 /nfs/dbraw/zinc/39/84/71/823398471.db2.gz RIUFXRZLTDQQSF-UWWQBHOKSA-N 1 0 383.458 4.140 20 0 GIADRO CC[C@@H](C)c1nnc(N2CCC[C@@H]([NH+]3CCCC3)CC2)n1CCc1ccccc1 ZINC000460455802 823395383 /nfs/dbraw/zinc/39/53/83/823395383.db2.gz ZUQWYBCMSJTCSR-IFMALSPDSA-N 1 0 395.595 4.489 20 0 GIADRO CCS[C@@H]1CC[C@H](N(C)C(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000177198533 823397009 /nfs/dbraw/zinc/39/70/09/823397009.db2.gz JVCVDDGEPQYXMP-LEWJYISDSA-N 1 0 389.609 4.009 20 0 GIADRO NC(=O)C1CC[NH+](Cc2cccc(NCc3ccc(-c4ccccc4)o3)c2)CC1 ZINC000122702068 823397247 /nfs/dbraw/zinc/39/72/47/823397247.db2.gz ZADXXNHHBJGKIQ-UHFFFAOYSA-N 1 0 389.499 4.256 20 0 GIADRO CC[C@H]([NH2+][C@@H]1CCC[C@H](N2CCCC2=O)C1)c1ccc(Br)cc1 ZINC000572781569 823397728 /nfs/dbraw/zinc/39/77/28/823397728.db2.gz URFCHXWWJHECFY-SQNIBIBYSA-N 1 0 379.342 4.423 20 0 GIADRO C[C@@H]([NH2+]C[C@H](c1ccccc1Cl)N1CCOCC1)c1cccnc1Cl ZINC000122706943 823397870 /nfs/dbraw/zinc/39/78/70/823397870.db2.gz KYCYONAQTIMTPY-RDTXWAMCSA-N 1 0 380.319 4.113 20 0 GIADRO COc1cc(C)c(C[NH2+][C@H](C)[C@H](OC2CCOCC2)c2ccccc2)cc1OC ZINC000122711643 823398920 /nfs/dbraw/zinc/39/89/20/823398920.db2.gz AHKKRKDMJWUKAM-KOSHJBKYSA-N 1 0 399.531 4.427 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)c2ccccc2C(=O)c2cccs2)cc1 ZINC000058491681 823399257 /nfs/dbraw/zinc/39/92/57/823399257.db2.gz ZULJEDUVTBJVSB-UHFFFAOYSA-N 1 0 394.496 4.172 20 0 GIADRO CC(C)Cn1cc(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)c2ccccc21 ZINC000058492278 823399497 /nfs/dbraw/zinc/39/94/97/823399497.db2.gz TVKBKKUJLGXCQL-UHFFFAOYSA-N 1 0 379.504 4.490 20 0 GIADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)CCc1ccc(-c2ccccc2)[nH]1 ZINC000058493757 823399582 /nfs/dbraw/zinc/39/95/82/823399582.db2.gz GOQAAFIRMWPICR-UHFFFAOYSA-N 1 0 389.543 4.247 20 0 GIADRO COc1ccc(OC)c(NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000058522584 823403593 /nfs/dbraw/zinc/40/35/93/823403593.db2.gz XXTQSSWIFYUXNB-QGZVFWFLSA-N 1 0 397.519 4.257 20 0 GIADRO Fc1ccc(Cn2cc(C[NH2+][C@@H](C[C@@H]3CCOC3)c3ccccc3)cn2)cc1 ZINC000189360602 823400773 /nfs/dbraw/zinc/40/07/73/823400773.db2.gz UKIXHPSQCFXPCN-CVDCTZTESA-N 1 0 379.479 4.328 20 0 GIADRO COc1ccc(C[C@](C)(O)C[NH2+][C@@H](C)c2cc3c(s2)CCCC3)cc1OC ZINC000572805035 823402288 /nfs/dbraw/zinc/40/22/88/823402288.db2.gz DFIFTMPTMWULEZ-NYHFZMIOSA-N 1 0 389.561 4.288 20 0 GIADRO COc1ccccc1[C@H]1CCN(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000122741898 823404247 /nfs/dbraw/zinc/40/42/47/823404247.db2.gz WWHCGDKMATWKBB-UNMCSNQZSA-N 1 0 393.531 4.031 20 0 GIADRO Cc1cc(Br)ccc1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177229085 823405161 /nfs/dbraw/zinc/40/51/61/823405161.db2.gz TWIDAMNDJUSPEF-UHFFFAOYSA-N 1 0 379.342 4.284 20 0 GIADRO COc1cccc([C@H](C)[NH2+]Cc2ccc(OCCOc3ccccc3)nc2)c1 ZINC000177230218 823405562 /nfs/dbraw/zinc/40/55/62/823405562.db2.gz XDJZAWBFLYWULL-SFHVURJKSA-N 1 0 378.472 4.399 20 0 GIADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)Nc2ccccc2OCC(F)(F)F)C1 ZINC000058537104 823405869 /nfs/dbraw/zinc/40/58/69/823405869.db2.gz SMJVAZZCUZYYEI-OAHLLOKOSA-N 1 0 387.446 4.261 20 0 GIADRO C[C@H]([NH2+]CCCS(=O)(=O)Cc1ccccc1)c1ccc(Br)cc1 ZINC000177233741 823406168 /nfs/dbraw/zinc/40/61/68/823406168.db2.gz HOOUZBVBGOXNQU-HNNXBMFYSA-N 1 0 396.350 4.105 20 0 GIADRO Cc1cc(F)c(Br)cc1NC1CC[NH+](Cc2cccnc2)CC1 ZINC000189390005 823406602 /nfs/dbraw/zinc/40/66/02/823406602.db2.gz DZTGAFUSNUQFTP-UHFFFAOYSA-N 1 0 378.289 4.368 20 0 GIADRO CSC1(CNC(=O)N[C@H](c2ccccc2C)C(C)(C)C)CC[NH+](C)CC1 ZINC000460493523 823407443 /nfs/dbraw/zinc/40/74/43/823407443.db2.gz RVOMTDHLXVAERI-GOSISDBHSA-N 1 0 377.598 4.209 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)c2cccc(OCc3cccc(Cl)c3)c2)CC[N@@H+]1C ZINC000122762054 823407619 /nfs/dbraw/zinc/40/76/19/823407619.db2.gz FILFWWYKEKXKSG-JXFKEZNVSA-N 1 0 386.923 4.474 20 0 GIADRO C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1cccc(COCc2ccc(OC)cc2)c1 ZINC000572838034 823407803 /nfs/dbraw/zinc/40/78/03/823407803.db2.gz OEZOMBIAXWNVDF-NRFANRHFSA-N 1 0 384.520 4.375 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)N2C[C@H](C)Oc3ccc(OC)cc32)cc1)C(C)C ZINC000460496918 823408360 /nfs/dbraw/zinc/40/83/60/823408360.db2.gz ZUBLCXIOTQWBTA-KRWDZBQOSA-N 1 0 382.504 4.353 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)NC[C@@H](C)Oc2cccc(OC)c2)cc1)C(C)C ZINC000460507664 823411695 /nfs/dbraw/zinc/41/16/95/823411695.db2.gz BXEFARWJQARWEN-GOSISDBHSA-N 1 0 384.520 4.123 20 0 GIADRO Cc1cccc(C(=O)N2CCC[N@H+](CCCOc3cc(C)ccc3C)CC2)c1 ZINC000058575769 823411779 /nfs/dbraw/zinc/41/17/79/823411779.db2.gz HXLSAPYKNAIWFU-UHFFFAOYSA-N 1 0 380.532 4.229 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@H](C)c2cccc(-n3ccnn3)c2)ccc1OC(C)C ZINC000572868178 823411913 /nfs/dbraw/zinc/41/19/13/823411913.db2.gz UYJPJGQDJKMGEX-SJORKVTESA-N 1 0 380.492 4.475 20 0 GIADRO C[N@H+](CCCc1ccccc1)CC(=O)N(Cc1ccco1)Cc1ccccc1 ZINC000058580809 823412043 /nfs/dbraw/zinc/41/20/43/823412043.db2.gz HNVFJQLAFIPUCQ-UHFFFAOYSA-N 1 0 376.500 4.373 20 0 GIADRO COc1cncc(/C=C\CC[NH2+][C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)c1 ZINC000572873896 823412241 /nfs/dbraw/zinc/41/22/41/823412241.db2.gz KZJDMOWWVMIMFV-VOKGJARPSA-N 1 0 382.439 4.342 20 0 GIADRO COc1cncc(/C=C/CC[NH2+][C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)c1 ZINC000572873895 823412265 /nfs/dbraw/zinc/41/22/65/823412265.db2.gz KZJDMOWWVMIMFV-DRDHIDPGSA-N 1 0 382.439 4.342 20 0 GIADRO C[N@H+](CCOc1cccc2ccccc21)C1CCN(CCc2ccccn2)CC1 ZINC000177259010 823412363 /nfs/dbraw/zinc/41/23/63/823412363.db2.gz GYDPGEZSUIJBFM-UHFFFAOYSA-N 1 0 389.543 4.253 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)CCc1cccc(Cl)c1)c1cccc(OC)c1 ZINC000058582208 823412432 /nfs/dbraw/zinc/41/24/32/823412432.db2.gz CICFPNBXVSXJLS-OAQYLSRUSA-N 1 0 388.939 4.481 20 0 GIADRO COc1ccc([C@@H](CNC(=O)NCc2ccc(C)s2)[NH+]2CCCCC2)cc1 ZINC000410180846 823412749 /nfs/dbraw/zinc/41/27/49/823412749.db2.gz APGVQNSVZBJEHH-HXUWFJFHSA-N 1 0 387.549 4.092 20 0 GIADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1c[nH]nc1-c1ccccc1F)Cc1ccncc1 ZINC000572886869 823413961 /nfs/dbraw/zinc/41/39/61/823413961.db2.gz FGNPNXLTECTQKD-HXUWFJFHSA-N 1 0 393.510 4.097 20 0 GIADRO C[C@@H](Cc1nc2ccccc2s1)NC(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000572880733 823413322 /nfs/dbraw/zinc/41/33/22/823413322.db2.gz KYZIQOCYPOSDTQ-INIZCTEOSA-N 1 0 393.556 4.199 20 0 GIADRO CN(C(=O)N[C@H]1CCOc2c(-c3ccccc3)cccc21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000572856158 823409904 /nfs/dbraw/zinc/40/99/04/823409904.db2.gz AEMJLWRXSOOGNM-HJKBJPMPSA-N 1 0 391.515 4.102 20 0 GIADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(NC(=O)OC(C)(C)C)cc2)C1 ZINC000122800177 823414438 /nfs/dbraw/zinc/41/44/38/823414438.db2.gz BXHPYVOFGAMBNJ-MRXNPFEDSA-N 1 0 390.528 4.133 20 0 GIADRO CSC1(CNC(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)CC[NH+](C)CC1 ZINC000572887788 823414504 /nfs/dbraw/zinc/41/45/04/823414504.db2.gz VIGDANKZMXQBTN-HZPDHXFCSA-N 1 0 387.376 4.041 20 0 GIADRO COc1cc2c(cc1CN(Cc1ccccc1)C1CC[NH+](C)CC1)O[C@@H](C)C2 ZINC000572887725 823414529 /nfs/dbraw/zinc/41/45/29/823414529.db2.gz YYILVSKLNKFKRJ-SFHVURJKSA-N 1 0 380.532 4.115 20 0 GIADRO CC(C)Oc1cccc(CN(C)C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000122802044 823414573 /nfs/dbraw/zinc/41/45/73/823414573.db2.gz FVNFEQYXRFCPEE-IBGZPJMESA-N 1 0 375.557 4.127 20 0 GIADRO CCCOc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000177269537 823416153 /nfs/dbraw/zinc/41/61/53/823416153.db2.gz SOPWICRJIZYECO-IRXDYDNUSA-N 1 0 390.549 4.138 20 0 GIADRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1c(C)nn(Cc2ccccc2Cl)c1C ZINC000572898340 823416415 /nfs/dbraw/zinc/41/64/15/823416415.db2.gz UYHIZGCQGVMPHH-HNNXBMFYSA-N 1 0 390.959 4.052 20 0 GIADRO C[N@H+](CCCNC(=O)NCc1ccc(F)cc1C(F)(F)F)Cc1ccccc1 ZINC000410197032 823416748 /nfs/dbraw/zinc/41/67/48/823416748.db2.gz BWHIWAFNGPSAEA-UHFFFAOYSA-N 1 0 397.416 4.166 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCC(C)(C3CC3)CC2)[C@H]1c1cccs1 ZINC000460525108 823419308 /nfs/dbraw/zinc/41/93/08/823419308.db2.gz HOLXIFOBIPBJKA-LPHOPBHVSA-N 1 0 375.582 4.353 20 0 GIADRO Cc1cccc(C(C)C)c1NC(=O)C[NH2+][C@H](C)C1CCN(CC(F)(F)F)CC1 ZINC000572904904 823417510 /nfs/dbraw/zinc/41/75/10/823417510.db2.gz UNYZZVRUCROJRZ-MRXNPFEDSA-N 1 0 399.501 4.309 20 0 GIADRO CC(C)[C@H](NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1)c1ccc(F)cc1 ZINC000410200755 823417705 /nfs/dbraw/zinc/41/77/05/823417705.db2.gz AXNUYOUUMDHFJG-FQEVSTJZSA-N 1 0 375.463 4.223 20 0 GIADRO CC(C)[C@@H](NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1)c1ccc(F)cc1 ZINC000410200756 823417821 /nfs/dbraw/zinc/41/78/21/823417821.db2.gz AXNUYOUUMDHFJG-HXUWFJFHSA-N 1 0 375.463 4.223 20 0 GIADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCc1ccc(Cl)nc1 ZINC000122821264 823417998 /nfs/dbraw/zinc/41/79/98/823417998.db2.gz GPAIXOCVWKVLIG-GFCCVEGCSA-N 1 0 396.716 4.047 20 0 GIADRO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CCc1ccc(F)cc1F ZINC000572915180 823418773 /nfs/dbraw/zinc/41/87/73/823418773.db2.gz JZIZKQSBXAHIHH-AWEZNQCLSA-N 1 0 380.866 4.188 20 0 GIADRO CO[C@](C)(C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccccc1F ZINC000572928897 823421717 /nfs/dbraw/zinc/42/17/17/823421717.db2.gz RGPVMAPNKWTBLP-YKSBVNFPSA-N 1 0 398.522 4.106 20 0 GIADRO COc1ccc(C(C)(C)C[NH2+][C@@H](C)c2ccc(Br)cn2)cc1OC ZINC000572932330 823422562 /nfs/dbraw/zinc/42/25/62/823422562.db2.gz NEVTUNDNLFTNGJ-ZDUSSCGKSA-N 1 0 393.325 4.490 20 0 GIADRO O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)c1ccc(C2=CCCC2)cc1 ZINC000572934741 823423145 /nfs/dbraw/zinc/42/31/45/823423145.db2.gz XVERULDMJIWWLO-UHFFFAOYSA-N 1 0 376.500 4.463 20 0 GIADRO CCN(CCC[NH+]1CCCC1)C(=O)Nc1cc(F)ccc1OCC(F)(F)F ZINC000189467783 823423699 /nfs/dbraw/zinc/42/36/99/823423699.db2.gz LNAMNZPAGSFEKL-UHFFFAOYSA-N 1 0 391.409 4.107 20 0 GIADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCc1ccc(-c2ccncc2)cc1 ZINC000460528580 823420541 /nfs/dbraw/zinc/42/05/41/823420541.db2.gz MSLPVHSVJFPAQG-LJQANCHMSA-N 1 0 388.515 4.068 20 0 GIADRO C[C@H](CNC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)Cc1cccs1 ZINC000460528752 823420966 /nfs/dbraw/zinc/42/09/66/823420966.db2.gz QFJXJPFTXPLEKD-TYPHKJRUSA-N 1 0 397.588 4.090 20 0 GIADRO COc1cc(Br)cc(C[NH2+]Cc2cccc(CSC)c2)c1O ZINC000189474343 823425016 /nfs/dbraw/zinc/42/50/16/823425016.db2.gz KBMFALFTPSQKKF-UHFFFAOYSA-N 1 0 382.323 4.316 20 0 GIADRO COCCc1ccccc1NC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000189474403 823425044 /nfs/dbraw/zinc/42/50/44/823425044.db2.gz JJUMTODVZVNLMY-FXAWDEMLSA-N 1 0 387.549 4.142 20 0 GIADRO CC[N@H+](Cc1ccc(-c2nc(-c3cccc4c3NC(=O)C4)no2)cc1)C(C)C ZINC000572951948 823425910 /nfs/dbraw/zinc/42/59/10/823425910.db2.gz IJJHTPMIJJLCCO-UHFFFAOYSA-N 1 0 376.460 4.129 20 0 GIADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)CCCc2nc3ccccc3s2)CC1 ZINC000122875601 823427119 /nfs/dbraw/zinc/42/71/19/823427119.db2.gz FYPRVNJCEBLWNY-UHFFFAOYSA-N 1 0 397.544 4.335 20 0 GIADRO Cc1ccc(NC(=O)CS[C@@H](C)C(=O)Nc2cc(C[NH+](C)C)ccc2C)cc1 ZINC000177303732 823427329 /nfs/dbraw/zinc/42/73/29/823427329.db2.gz XCLIYBBACVTIDC-KRWDZBQOSA-N 1 0 399.560 4.064 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc3c(c2)C(=O)CCC3)[C@@H]1c1cccs1 ZINC000177310582 823428889 /nfs/dbraw/zinc/42/88/89/823428889.db2.gz HYZAJEKIEMDAJY-HRAATJIYSA-N 1 0 397.544 4.472 20 0 GIADRO O=C1CCc2cc(-c3noc(-c4ccc(C[NH+]5CCCCC5)cc4)n3)ccc2N1 ZINC000572984138 823430068 /nfs/dbraw/zinc/43/00/68/823430068.db2.gz PWMXYFFADKAPRQ-UHFFFAOYSA-N 1 0 388.471 4.274 20 0 GIADRO Cc1cccc2nc(C3CCN(C(=O)NC4CCC(C[NH+](C)C)CC4)CC3)oc21 ZINC000189493242 823430123 /nfs/dbraw/zinc/43/01/23/823430123.db2.gz KBOVZVRZIXFQIX-UHFFFAOYSA-N 1 0 398.551 4.146 20 0 GIADRO C[C@H]([NH2+]CCCC(=O)N1Cc2ccccc2C1)c1ccc(Br)cc1 ZINC000177326410 823434411 /nfs/dbraw/zinc/43/44/11/823434411.db2.gz DYVKNSRNWSZDEM-HNNXBMFYSA-N 1 0 387.321 4.422 20 0 GIADRO COc1ccc(SCCC(=O)Nc2cc(C[NH+](C)C)ccc2C)cc1OC ZINC000177314980 823430426 /nfs/dbraw/zinc/43/04/26/823430426.db2.gz ANKPUAFOCVQVLX-UHFFFAOYSA-N 1 0 388.533 4.195 20 0 GIADRO COc1ccc(-c2ccccc2C)cc1C[NH+]1CCC([C@H]2NC(=O)C2(C)C)CC1 ZINC000572985691 823430532 /nfs/dbraw/zinc/43/05/32/823430532.db2.gz LNRGOUWKAPBPMN-HSZRJFAPSA-N 1 0 392.543 4.407 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CC(C)(C)c2ccc3c(c2)OCCO3)cc1NC(C)=O ZINC000122896178 823430642 /nfs/dbraw/zinc/43/06/42/823430642.db2.gz BAIVTJQSFZGZSK-OAHLLOKOSA-N 1 0 398.503 4.053 20 0 GIADRO CCS[C@H]1CCCC[C@@H]1[NH2+]Cc1csc(CC(=O)Nc2ccccc2)n1 ZINC000189495979 823430704 /nfs/dbraw/zinc/43/07/04/823430704.db2.gz AIQVHZZDWKQKSB-ROUUACIJSA-N 1 0 389.590 4.478 20 0 GIADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)N[C@@H]1CCSc2ccc(F)cc21 ZINC000177316819 823431032 /nfs/dbraw/zinc/43/10/32/823431032.db2.gz KRKVJVDEADQZIU-LJQANCHMSA-N 1 0 391.556 4.459 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H](C)NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000177319565 823431986 /nfs/dbraw/zinc/43/19/86/823431986.db2.gz CXNPYLVTNCECRD-KRWDZBQOSA-N 1 0 395.547 4.111 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1cccc(OCc2cccnc2)c1 ZINC000177322175 823432868 /nfs/dbraw/zinc/43/28/68/823432868.db2.gz LLHCVIJTDZDVHJ-UHFFFAOYSA-N 1 0 375.472 4.283 20 0 GIADRO COC[C@]1(C[NH2+][C@H](C)c2ccc(Br)s2)OCCc2ccccc21 ZINC000573023521 823435073 /nfs/dbraw/zinc/43/50/73/823435073.db2.gz SNQBCLCGDLFBKQ-ACJLOTCBSA-N 1 0 396.350 4.276 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)CC[N@@H+]1C ZINC000177331794 823436303 /nfs/dbraw/zinc/43/63/03/823436303.db2.gz CCRCDSIGAADOQO-JXFKEZNVSA-N 1 0 386.540 4.152 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)c1 ZINC000024925605 819895951 /nfs/dbraw/zinc/89/59/51/819895951.db2.gz NOCDDCKCXMLWJV-AWEZNQCLSA-N 1 0 383.517 4.213 20 0 GIADRO Cc1noc(C)c1CSc1ccccc1C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000189522944 823436894 /nfs/dbraw/zinc/43/68/94/823436894.db2.gz GOQVWSOZAZWQDV-UHFFFAOYSA-N 1 0 387.549 4.140 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)Nc2cccnc2-c2ccc(Cl)s2)CC[N@@H+]1C ZINC000189527773 823437833 /nfs/dbraw/zinc/43/78/33/823437833.db2.gz IAGCXUZIYIETFM-STQMWFEESA-N 1 0 378.929 4.410 20 0 GIADRO COc1ccc(-c2cc(C[N@@H+]3CCCN(Cc4ccc(F)cc4)CC3)on2)cc1 ZINC000025075631 819921355 /nfs/dbraw/zinc/92/13/55/819921355.db2.gz HVVKZDAZIFEHDU-UHFFFAOYSA-N 1 0 395.478 4.197 20 0 GIADRO COc1cc(C[C@@H](CO)C[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)cc(OC)c1 ZINC000573040817 823438229 /nfs/dbraw/zinc/43/82/29/823438229.db2.gz RJPGKBLVTOXOAZ-UZUQRXQVSA-N 1 0 394.515 4.003 20 0 GIADRO C[N@@H+]1CC[C@H](NC(=O)Nc2cccc(COCC3CC3)c2)[C@@H]1c1ccccc1 ZINC000189532427 823438658 /nfs/dbraw/zinc/43/86/58/823438658.db2.gz GCVCJNJVLTXLIS-VXKWHMMOSA-N 1 0 379.504 4.180 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCSc2ccc(Cl)cc21)C(=O)Nc1ccc2c(c1)OCO2 ZINC000025215628 819944023 /nfs/dbraw/zinc/94/40/23/819944023.db2.gz JPEJJMQEONFVTR-ABAIWWIYSA-N 1 0 390.892 4.222 20 0 GIADRO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(SC(F)(F)F)cc1 ZINC000025252332 819950691 /nfs/dbraw/zinc/95/06/91/819950691.db2.gz QTSZQMQGKXLZSI-INIZCTEOSA-N 1 0 380.435 4.303 20 0 GIADRO CC(=O)c1c(C)[nH]c(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1C(C)C ZINC000122962051 823440271 /nfs/dbraw/zinc/44/02/71/823440271.db2.gz KHYWDJJKSCVPIM-IBGZPJMESA-N 1 0 381.520 4.216 20 0 GIADRO COc1cnccc1[C@@H](C)[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000189544979 823440970 /nfs/dbraw/zinc/44/09/70/823440970.db2.gz KEWUTAVJQIJITA-SNVBAGLBSA-N 1 0 387.224 4.305 20 0 GIADRO CC[C@@H](C)Oc1cc(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)ccc1OC ZINC000122965839 823441141 /nfs/dbraw/zinc/44/11/41/823441141.db2.gz RWVLBPMMUYQOPC-YLJYHZDGSA-N 1 0 377.525 4.033 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)COC(c1ccccc1)c1ccccc1)c1ccsc1 ZINC000025330459 819963921 /nfs/dbraw/zinc/96/39/21/819963921.db2.gz BIFBLVKYVZWHDG-OAQYLSRUSA-N 1 0 394.540 4.273 20 0 GIADRO COC[C@@H](C)C[N@H+](CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(C)C ZINC000189553510 823442723 /nfs/dbraw/zinc/44/27/23/823442723.db2.gz KTNICXFZROIJOH-LBPRGKRZSA-N 1 0 380.838 4.290 20 0 GIADRO Cc1c2cc(F)ccc2oc1C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000025461853 819985771 /nfs/dbraw/zinc/98/57/71/819985771.db2.gz SPLCHJGOWWFWFT-UHFFFAOYSA-N 1 0 380.463 4.447 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1cnc2c(cnn2Cc2ccccc2)c1 ZINC000177354097 823443645 /nfs/dbraw/zinc/44/36/45/823443645.db2.gz JYDZMOLUERNOSX-UHFFFAOYSA-N 1 0 399.498 4.102 20 0 GIADRO C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000025507636 819992653 /nfs/dbraw/zinc/99/26/53/819992653.db2.gz MHGJEVLMPSWGQS-IBGZPJMESA-N 1 0 389.543 4.170 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)C1(c2cccc(Cl)c2)CCOCC1 ZINC000177356870 823444106 /nfs/dbraw/zinc/44/41/06/823444106.db2.gz QKEDWHULDKNDBI-UHFFFAOYSA-N 1 0 386.923 4.397 20 0 GIADRO CC(C)[C@H](CNC(=O)c1ccccc1OC(F)F)[N@@H+]1CCc2ccccc2C1 ZINC000025540137 820000120 /nfs/dbraw/zinc/00/01/20/820000120.db2.gz RASREIBZXMZLCV-IBGZPJMESA-N 1 0 388.458 4.101 20 0 GIADRO Cc1ccnc(Oc2ccc(NC(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)cc2)n1 ZINC000177357025 823444208 /nfs/dbraw/zinc/44/42/08/823444208.db2.gz HLAJJMVDRQYWHQ-KRWDZBQOSA-N 1 0 380.492 4.170 20 0 GIADRO Cc1cccc(OC(F)F)c1NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000189563038 823444585 /nfs/dbraw/zinc/44/45/85/823444585.db2.gz JKEZPLDTWLDENT-MAUKXSAKSA-N 1 0 375.419 4.163 20 0 GIADRO C[C@H](CNC(=O)c1ccc(C2SCCS2)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000025632650 820008417 /nfs/dbraw/zinc/00/84/17/820008417.db2.gz CYKZUMWOHBQLMV-MRXNPFEDSA-N 1 0 398.597 4.342 20 0 GIADRO CCCOc1cn(-c2ccccc2)nc1C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000177364987 823445819 /nfs/dbraw/zinc/44/58/19/823445819.db2.gz RTENRQRZZKFMMM-UHFFFAOYSA-N 1 0 392.503 4.283 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1)c1ccsc1 ZINC000025812548 820027599 /nfs/dbraw/zinc/02/75/99/820027599.db2.gz GXSSHBOXONWSPC-KRWDZBQOSA-N 1 0 389.521 4.128 20 0 GIADRO Cc1cc(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c(C)n1Cc1ccccc1 ZINC000025813892 820028050 /nfs/dbraw/zinc/02/80/50/820028050.db2.gz JMWPJBFSSKOKJN-NRFANRHFSA-N 1 0 381.545 4.247 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(F)cc1Cl)c1cccc(OC)c1 ZINC000025859980 820032127 /nfs/dbraw/zinc/03/21/27/820032127.db2.gz PKSSQHIWDUMROW-IBGZPJMESA-N 1 0 378.875 4.301 20 0 GIADRO O[C@H](C[NH2+]Cc1ccc(Br)s1)CO[C@H]1CCCc2ccccc21 ZINC000573100285 823447432 /nfs/dbraw/zinc/44/74/32/823447432.db2.gz VDCVUUAMHFPZSL-PBHICJAKSA-N 1 0 396.350 4.055 20 0 GIADRO CCCOc1ccc([C@@H](C)[NH2+]Cc2cc3ccccc3n(C)c2=O)cc1OC ZINC000573101890 823447863 /nfs/dbraw/zinc/44/78/63/823447863.db2.gz PSGISOBKFICUQM-MRXNPFEDSA-N 1 0 380.488 4.187 20 0 GIADRO COc1cc(NC2CC[NH+](Cc3ccccc3OC(F)F)CC2)cc(OC)c1 ZINC000177372359 823448025 /nfs/dbraw/zinc/44/80/25/823448025.db2.gz FMVMQANLUHQVBB-UHFFFAOYSA-N 1 0 392.446 4.382 20 0 GIADRO COc1cc(CN(C)C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)ccc1SC ZINC000060558619 823542213 /nfs/dbraw/zinc/54/22/13/823542213.db2.gz PLEKHGSEJWYAJY-KKSFZXQISA-N 1 0 393.597 4.069 20 0 GIADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@H]1CCc2ccc(-c3ccccc3)cc21 ZINC000189577382 823449303 /nfs/dbraw/zinc/44/93/03/823449303.db2.gz CYCQWWLDDBFERV-BJKOFHAPSA-N 1 0 392.543 4.250 20 0 GIADRO COc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(CCc2ccc(O)cc2)CC1 ZINC000026114051 820059232 /nfs/dbraw/zinc/05/92/32/820059232.db2.gz VESRYMXMMSMDFN-KRWDZBQOSA-N 1 0 382.504 4.073 20 0 GIADRO C[C@H](CNC(=O)N[C@H]1CCSc2ccc(F)cc21)[N@@H+]1CCc2ccccc2C1 ZINC000026173027 820066724 /nfs/dbraw/zinc/06/67/24/820066724.db2.gz VRVSVJRGHPTYGZ-QRWLVFNGSA-N 1 0 399.535 4.109 20 0 GIADRO C[C@H](CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C)c1c[nH]c2ccccc21 ZINC000573128136 823450903 /nfs/dbraw/zinc/45/09/03/823450903.db2.gz CETIQRGVMWAOAL-HMFYCAOWSA-N 1 0 375.516 4.441 20 0 GIADRO COc1ccc(CC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)cc1 ZINC000026303298 820080304 /nfs/dbraw/zinc/08/03/04/820080304.db2.gz UHLKALUGCVZSPJ-UHFFFAOYSA-N 1 0 384.483 4.275 20 0 GIADRO Cc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]CCn2ccnc2)cc1C ZINC000026309312 820080772 /nfs/dbraw/zinc/08/07/72/820080772.db2.gz WKNPCBQGCCDZFK-UHFFFAOYSA-N 1 0 385.515 4.202 20 0 GIADRO COc1ccc2c(C[N@@H+]3CCC[C@@H]3CC(=O)c3cccs3)cc(=O)oc2c1 ZINC000177391498 823452269 /nfs/dbraw/zinc/45/22/69/823452269.db2.gz NOXHDWBRMXCARE-OAHLLOKOSA-N 1 0 383.469 4.101 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)C[N@@H+](C)[C@@H]2CCC[C@@H](C)C2)c(C(F)(F)F)c1 ZINC000026478620 820103027 /nfs/dbraw/zinc/10/30/27/820103027.db2.gz BACUUZYZGFBGIB-IUODEOHRSA-N 1 0 385.430 4.113 20 0 GIADRO CCCN(CC[NH+]1CCCCCC1)C(=O)c1cnn(CC(C)C)c1C(F)F ZINC000573137889 823453030 /nfs/dbraw/zinc/45/30/30/823453030.db2.gz DYNIBQCIVFOVRA-UHFFFAOYSA-N 1 0 384.515 4.205 20 0 GIADRO Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000177397189 823453039 /nfs/dbraw/zinc/45/30/39/823453039.db2.gz ATTCLGDTNPUFAL-PZJWPPBQSA-N 1 0 384.568 4.466 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H](C)c1cccc(NC(C)=O)c1)CC3 ZINC000123053859 823454132 /nfs/dbraw/zinc/45/41/32/823454132.db2.gz MLKLPVYKTZSHRH-RDTXWAMCSA-N 1 0 377.488 4.343 20 0 GIADRO Cc1ccc2nc(C)c(C(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3C)cc2c1 ZINC000026620891 820123446 /nfs/dbraw/zinc/12/34/46/820123446.db2.gz YXZYJJJWCFAUEM-UHFFFAOYSA-N 1 0 388.515 4.164 20 0 GIADRO Cc1ccc(C(=O)C2CC[NH+](CCC(=O)N3CCc4ccccc43)CC2)c(C)c1 ZINC000026644617 820128243 /nfs/dbraw/zinc/12/82/43/820128243.db2.gz JEYDZGFPAUKTHQ-UHFFFAOYSA-N 1 0 390.527 4.178 20 0 GIADRO CCN(CCC[NH+]1CCCC1)C(=O)Nc1ccc(F)cc1OCC(F)(F)F ZINC000189600366 823455545 /nfs/dbraw/zinc/45/55/45/823455545.db2.gz ULSBZZDHWNZKCO-UHFFFAOYSA-N 1 0 391.409 4.107 20 0 GIADRO CCOc1cc(C[NH2+]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)ccc1OC(F)F ZINC000189617089 823459425 /nfs/dbraw/zinc/45/94/25/823459425.db2.gz LPHALHUNDCBYPP-SUMWQHHRSA-N 1 0 397.384 4.260 20 0 GIADRO COc1c(Br)cccc1C[NH2+]C[C@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000189601317 823455977 /nfs/dbraw/zinc/45/59/77/823455977.db2.gz HCHBXLQCHACVMU-WFASDCNBSA-N 1 0 396.247 4.031 20 0 GIADRO c1ccc2ncc(CN3CCC[N@H+](Cc4cnc5ccccc5c4)CC3)cc2c1 ZINC000410310581 823459445 /nfs/dbraw/zinc/45/94/45/823459445.db2.gz MCIAUUAIDUQRKF-UHFFFAOYSA-N 1 0 382.511 4.491 20 0 GIADRO CC(C)NC(=O)Nc1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000058808987 823456163 /nfs/dbraw/zinc/45/61/63/823456163.db2.gz JPPJVIRKQDCGOW-IBGZPJMESA-N 1 0 394.519 4.067 20 0 GIADRO Cc1ccc(-c2nc(C(=O)N3C[C@H]4CCC[N@@H+]4Cc4ccccc43)cs2)n1C ZINC000123068896 823456557 /nfs/dbraw/zinc/45/65/57/823456557.db2.gz KNLIEHPWOWCFNF-QGZVFWFLSA-N 1 0 392.528 4.082 20 0 GIADRO CO[C@H](C)c1nc(C)c(C(=O)N(CC[NH+]2CCCCCC2)C2CCC2)s1 ZINC000573158246 823456865 /nfs/dbraw/zinc/45/68/65/823456865.db2.gz QTTRIMFMBPZEMC-MRXNPFEDSA-N 1 0 379.570 4.030 20 0 GIADRO O[C@]1(C[NH2+]Cc2ccc(OCc3ccncc3)cc2)CCC[C@@H](C(F)(F)F)C1 ZINC000189605448 823456867 /nfs/dbraw/zinc/45/68/67/823456867.db2.gz RBUHKFLJELUCAK-UYAOXDASSA-N 1 0 394.437 4.234 20 0 GIADRO CCOc1c(Cl)cc(C[NH2+]C[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)cc1OC ZINC000189608480 823457356 /nfs/dbraw/zinc/45/73/56/823457356.db2.gz BLAJSGQPMVEUEZ-CXAGYDPISA-N 1 0 395.849 4.321 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)/C=C/c3ccc(Cl)cc3)c(C)c2)CC1 ZINC000026908608 820162581 /nfs/dbraw/zinc/16/25/81/820162581.db2.gz GWUCXTYESIRIEU-IZZDOVSWSA-N 1 0 383.923 4.442 20 0 GIADRO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@@H]1CCCCc2ccccc21 ZINC000177416401 823457484 /nfs/dbraw/zinc/45/74/84/823457484.db2.gz SOILUMYHLCPPBG-JOCHJYFZSA-N 1 0 386.561 4.072 20 0 GIADRO COc1cc(Br)ccc1C[NH2+]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000189610519 823457524 /nfs/dbraw/zinc/45/75/24/823457524.db2.gz AHFNLQXDKLEJAU-SWLSCSKDSA-N 1 0 396.247 4.031 20 0 GIADRO CC(C)Oc1ccccc1NC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000410307383 823458477 /nfs/dbraw/zinc/45/84/77/823458477.db2.gz GILAFVWCYNIRFO-UHFFFAOYSA-N 1 0 381.520 4.302 20 0 GIADRO O=C(Nc1ccc(C(=O)NC2CC[NH+](C3CCCC3)CC2)cc1)c1ccccc1 ZINC000177420798 823458548 /nfs/dbraw/zinc/45/85/48/823458548.db2.gz BMSWWRBBMPDQCR-UHFFFAOYSA-N 1 0 391.515 4.076 20 0 GIADRO COc1ccc(C(=O)Nc2cccc(C[N@@H+]3CCCCC[C@@H]3C[C@@H](C)O)c2)cc1 ZINC000573167837 823458602 /nfs/dbraw/zinc/45/86/02/823458602.db2.gz ZPTVBOWDSBEHCY-XMSQKQJNSA-N 1 0 396.531 4.463 20 0 GIADRO Cc1cc(Br)ccc1NC(=O)C[N@H+](C)CCCCC1CCOCC1 ZINC000410312905 823460021 /nfs/dbraw/zinc/46/00/21/823460021.db2.gz XNRUWQULOCCXCI-UHFFFAOYSA-N 1 0 397.357 4.225 20 0 GIADRO CC(C)(C)CCC[NH+]1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000410312931 823460068 /nfs/dbraw/zinc/46/00/68/823460068.db2.gz HIRKLYQOZVKWBD-UHFFFAOYSA-N 1 0 385.474 4.088 20 0 GIADRO O[C@@]1(C[NH2+]Cc2cnc(-c3cccs3)s2)CCC[C@@H](C(F)(F)F)C1 ZINC000189619523 823460090 /nfs/dbraw/zinc/46/00/90/823460090.db2.gz ARAFATFAPKEGSA-ABAIWWIYSA-N 1 0 376.469 4.445 20 0 GIADRO CCOc1cc(C[NH2+]C[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)cc(Cl)c1OC ZINC000189620810 823460349 /nfs/dbraw/zinc/46/03/49/823460349.db2.gz XJMRCSXCXQDLPY-CXAGYDPISA-N 1 0 395.849 4.321 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)C(C)C)ccc1OCc1ccccc1 ZINC000177432686 823460872 /nfs/dbraw/zinc/46/08/72/823460872.db2.gz XTEFHPXRDALFQE-MSOLQXFVSA-N 1 0 384.520 4.180 20 0 GIADRO CCc1nc2ccccc2n1CC(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000027140649 820200777 /nfs/dbraw/zinc/20/07/77/820200777.db2.gz WSIWFLQEYLXYOA-UHFFFAOYSA-N 1 0 376.504 4.223 20 0 GIADRO Cc1cc[n+](C(C(=O)c2ccc3c(c2)OCO3)C(=S)Nc2ccccc2)cc1 ZINC000027183502 820207099 /nfs/dbraw/zinc/20/70/99/820207099.db2.gz XIDSTLSQEUBDDN-UHFFFAOYSA-O 1 0 391.472 4.062 20 0 GIADRO Cc1ccc(NC(=S)C(C(=O)c2ccc3c(c2)CCO3)[n+]2ccccc2)cc1 ZINC000027200603 820208977 /nfs/dbraw/zinc/20/89/77/820208977.db2.gz RIWRRUZBJORWFA-UHFFFAOYSA-O 1 0 389.500 4.268 20 0 GIADRO CN(C)[C@H](C[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1)c1ccco1 ZINC000027217224 820211445 /nfs/dbraw/zinc/21/14/45/820211445.db2.gz WASWTPWRTHIESR-LJQANCHMSA-N 1 0 385.895 4.300 20 0 GIADRO CCCCC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccc(F)cc1 ZINC000027276531 820218807 /nfs/dbraw/zinc/21/88/07/820218807.db2.gz DRENDOPKKPRHGI-UHFFFAOYSA-N 1 0 385.483 4.415 20 0 GIADRO O=C(NC[C@@H]1CCCO1)c1cccc(C[NH2+][C@H]2CCCCc3ccccc32)c1 ZINC000177438374 823462290 /nfs/dbraw/zinc/46/22/90/823462290.db2.gz TZSFCOXXRQZLND-GMAHTHKFSA-N 1 0 378.516 4.153 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)COc1ccc(Cl)c2ccccc12)c1cccs1 ZINC000027317533 820223867 /nfs/dbraw/zinc/22/38/67/820223867.db2.gz BNZAHTXYUAJALB-KRWDZBQOSA-N 1 0 388.920 4.353 20 0 GIADRO CN(CC1([NH+](C)C)CCC1)C(=O)NCc1ccc(-c2nc3ccccc3s2)o1 ZINC000189631314 823462739 /nfs/dbraw/zinc/46/27/39/823462739.db2.gz ZYHLVLYHELOYPH-UHFFFAOYSA-N 1 0 398.532 4.182 20 0 GIADRO COc1ccccc1CCC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000027343797 820228579 /nfs/dbraw/zinc/22/85/79/820228579.db2.gz YMMYMGOVKBWUPB-FQEVSTJZSA-N 1 0 386.923 4.235 20 0 GIADRO O=C(CCCOc1ccccc1F)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000058878891 823465135 /nfs/dbraw/zinc/46/51/35/823465135.db2.gz AKHFABHCYOTRLS-UHFFFAOYSA-N 1 0 376.516 4.099 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)Nc1ccc2c(c1)CCC2)[NH+]1CCCC1 ZINC000058859145 823462976 /nfs/dbraw/zinc/46/29/76/823462976.db2.gz HCRDKQAXQIAZBF-NRFANRHFSA-N 1 0 379.504 4.143 20 0 GIADRO O=C(CCCOCCc1ccccc1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000058878945 823465192 /nfs/dbraw/zinc/46/51/92/823465192.db2.gz GDEARTJDOKKVFC-UHFFFAOYSA-N 1 0 386.580 4.141 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)C3(Cc4ccccc4)CC3)CC2)cc1 ZINC000177444138 823463052 /nfs/dbraw/zinc/46/30/52/823463052.db2.gz PAKIIVOWELZJDI-UHFFFAOYSA-N 1 0 392.543 4.046 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000027391364 820237579 /nfs/dbraw/zinc/23/75/79/820237579.db2.gz OZNCWRMAIGQPBT-UHFFFAOYSA-N 1 0 375.513 4.252 20 0 GIADRO O=C(NCC1CC[NH+](C2CC2)CC1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000573192552 823463449 /nfs/dbraw/zinc/46/34/49/823463449.db2.gz IFYBXLQJOGQIBF-QGZVFWFLSA-N 1 0 398.576 4.060 20 0 GIADRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1ccccc1COc1ccccc1 ZINC000177445270 823463513 /nfs/dbraw/zinc/46/35/13/823463513.db2.gz OFZIGZASXMYVFL-UHFFFAOYSA-N 1 0 378.516 4.402 20 0 GIADRO O=C(CC[NH2+]C1CCC(C(F)(F)F)CC1)Nc1ccc(Br)cc1 ZINC000123109593 823463552 /nfs/dbraw/zinc/46/35/52/823463552.db2.gz CIZGSMRKEVKJIL-UHFFFAOYSA-N 1 0 393.247 4.488 20 0 GIADRO C[C@@H](CNC(=O)Nc1ccc(Br)cc1Cl)[N@@H+]1CCC[C@H](C)C1 ZINC000058861562 823463713 /nfs/dbraw/zinc/46/37/13/823463713.db2.gz NICVGGKOMKBIGM-RYUDHWBXSA-N 1 0 388.737 4.344 20 0 GIADRO CC(C)c1ccc(-c2noc(CCC(=O)NCC[NH+](C(C)C)C(C)C)n2)cc1 ZINC000027458671 820246842 /nfs/dbraw/zinc/24/68/42/820246842.db2.gz ZWPRDCMZJMIUJM-UHFFFAOYSA-N 1 0 386.540 4.028 20 0 GIADRO Cc1ccc2cc(C[N@@H+]3CCCN(C(=O)c4ccccc4F)CC3)ccc2n1 ZINC000189640155 823465351 /nfs/dbraw/zinc/46/53/51/823465351.db2.gz ZUFHOMIDBMIALS-UHFFFAOYSA-N 1 0 377.463 4.030 20 0 GIADRO C[C@H](CC(=O)N1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1)[C@@H]1CCC[NH2+]C1 ZINC000573204179 823465368 /nfs/dbraw/zinc/46/53/68/823465368.db2.gz MJLXKYBWOZPYCD-QFUCXCTJSA-N 1 0 380.536 4.156 20 0 GIADRO Cc1nc(CSc2ccccc2C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cs1 ZINC000177452472 823465806 /nfs/dbraw/zinc/46/58/06/823465806.db2.gz RWDPPPAIJPGCFE-WBVHZDCISA-N 1 0 389.590 4.346 20 0 GIADRO O=C(c1ccc(Br)s1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000058881289 823466042 /nfs/dbraw/zinc/46/60/42/823466042.db2.gz PUOJOMZBAVEZCA-UHFFFAOYSA-N 1 0 385.371 4.239 20 0 GIADRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)[C@@H](c1ccccc1)C1CC1)c1ccccc1O2 ZINC000123124382 823466094 /nfs/dbraw/zinc/46/60/94/823466094.db2.gz HSEZPHOXVHAGJV-GGAORHGYSA-N 1 0 390.527 4.285 20 0 GIADRO CCOc1ccc(C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)cc1OCC ZINC000058881632 823466113 /nfs/dbraw/zinc/46/61/13/823466113.db2.gz MKHVIWZOGZKJAZ-UHFFFAOYSA-N 1 0 388.552 4.212 20 0 GIADRO CC(=O)c1cccc(NC(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)c1 ZINC000410334909 823466097 /nfs/dbraw/zinc/46/60/97/823466097.db2.gz JBKCOWOMSJIZTD-UHFFFAOYSA-N 1 0 379.504 4.443 20 0 GIADRO COCCSc1ccc([C@H](C)[NH2+][C@H]2CCCN(CC(C)(C)C)C2=O)cc1 ZINC000460648463 823466131 /nfs/dbraw/zinc/46/61/31/823466131.db2.gz LQGNDEHBXLTXNY-LPHOPBHVSA-N 1 0 378.582 4.113 20 0 GIADRO COc1ccc([C@H](CNC(=O)CCCc2cccs2)[NH+]2CCCCC2)cc1 ZINC000027667172 820272783 /nfs/dbraw/zinc/27/27/83/820272783.db2.gz DBTSXQRNOPUKQO-NRFANRHFSA-N 1 0 386.561 4.423 20 0 GIADRO COc1ccc(SCCC(=O)N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)cc1 ZINC000058882901 823466517 /nfs/dbraw/zinc/46/65/17/823466517.db2.gz XQRCMHPRCLQWPI-FGTMMUONSA-N 1 0 376.566 4.041 20 0 GIADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)CCOc2ccc(F)cc2Cl)C1 ZINC000058883015 823466529 /nfs/dbraw/zinc/46/65/29/823466529.db2.gz SZPPHMNFVYRLAL-HLLBOEOZSA-N 1 0 382.907 4.112 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C1CCN(c2ccccc2)CC1)CC3 ZINC000123125644 823466513 /nfs/dbraw/zinc/46/65/13/823466513.db2.gz WZKANLDRXDFEQB-GOSISDBHSA-N 1 0 375.516 4.292 20 0 GIADRO Cc1cc(C(=O)N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c(C)n1CC(F)(F)F ZINC000058883227 823466639 /nfs/dbraw/zinc/46/66/39/823466639.db2.gz JYEDIEXLAXZGJV-VBQJREDUSA-N 1 0 385.474 4.145 20 0 GIADRO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000027752734 820282602 /nfs/dbraw/zinc/28/26/02/820282602.db2.gz LIFRHOHMXGYVLV-LBPRGKRZSA-N 1 0 379.863 4.047 20 0 GIADRO O=C(Nc1ccccc1)c1ccc(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)cc1 ZINC000177457764 823467040 /nfs/dbraw/zinc/46/70/40/823467040.db2.gz BQXZMLVCGQMMMC-QHCPKHFHSA-N 1 0 394.515 4.099 20 0 GIADRO COc1ccccc1/C=C(/C(=O)N[C@@H](C)C[NH+]1CCCCC1)c1ccccc1 ZINC000027763105 820283609 /nfs/dbraw/zinc/28/36/09/820283609.db2.gz PXZRSWDZENZFSW-WXNAFCGMSA-N 1 0 378.516 4.226 20 0 GIADRO O=C(Cc1cccc(C(F)(F)F)c1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000027938929 820299221 /nfs/dbraw/zinc/29/92/21/820299221.db2.gz ZURMAEKGBYLDQY-UHFFFAOYSA-N 1 0 390.449 4.071 20 0 GIADRO O=C(CCC(=O)c1ccc(Cl)cc1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000027938997 820299285 /nfs/dbraw/zinc/29/92/85/820299285.db2.gz LGJGCRIQICOIAC-UHFFFAOYSA-N 1 0 398.934 4.126 20 0 GIADRO Cc1ccc(C)c(SCC(=O)NC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000027939360 820299664 /nfs/dbraw/zinc/29/96/64/820299664.db2.gz DFRRPVWQRKBNDA-UHFFFAOYSA-N 1 0 382.573 4.219 20 0 GIADRO C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000058907821 823468952 /nfs/dbraw/zinc/46/89/52/823468952.db2.gz PQLPJJAZRHSFCD-LJQANCHMSA-N 1 0 378.516 4.208 20 0 GIADRO O=C(COCc1nc2ccccc2s1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000028170622 820315396 /nfs/dbraw/zinc/31/53/96/820315396.db2.gz CFQWPYURKJALHT-UHFFFAOYSA-N 1 0 381.501 4.047 20 0 GIADRO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1c[nH]c(=S)n1-c1ccccc1 ZINC000028172111 820315450 /nfs/dbraw/zinc/31/54/50/820315450.db2.gz MNYGELTZWAJKLQ-UHFFFAOYSA-N 1 0 378.501 4.383 20 0 GIADRO CC[N@H+](CC(=O)Nc1ccc(N2CCCC2)cc1)[C@@H](C)c1cccc(OC)c1 ZINC000058913661 823469597 /nfs/dbraw/zinc/46/95/97/823469597.db2.gz UHMAECUUFIPNHE-SFHVURJKSA-N 1 0 381.520 4.317 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N(C)CCc3ccccc3)cc2)C1 ZINC000410349720 823470012 /nfs/dbraw/zinc/47/00/12/823470012.db2.gz GNKRRWYBJZTSDL-FQEVSTJZSA-N 1 0 379.548 4.303 20 0 GIADRO CCc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1 ZINC000028347137 820326945 /nfs/dbraw/zinc/32/69/45/820326945.db2.gz YXTCPZMFWFVCFX-CVEARBPZSA-N 1 0 379.504 4.275 20 0 GIADRO O=C(CCSc1ccccc1Br)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000058918464 823470271 /nfs/dbraw/zinc/47/02/71/823470271.db2.gz RFEKJUOCPOMVLM-HNNXBMFYSA-N 1 0 397.382 4.018 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)c(CC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)s1 ZINC000058919480 823470367 /nfs/dbraw/zinc/47/03/67/823470367.db2.gz ZVKXVFMMJGSSHB-IBGZPJMESA-N 1 0 383.561 4.056 20 0 GIADRO CCCCCc1ccc(C(=O)CCC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000058918307 823470432 /nfs/dbraw/zinc/47/04/32/823470432.db2.gz PSLMNNGGIXGWPX-QFIPXVFZSA-N 1 0 384.564 4.469 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)Cc1cccs1)c1cccc(OC)c1 ZINC000028413889 820334415 /nfs/dbraw/zinc/33/44/15/820334415.db2.gz NEOGBDJOTSYKEV-OXJNMPFZSA-N 1 0 389.565 4.070 20 0 GIADRO Cc1cc(C)cc(NC(=O)NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)c1 ZINC000410356558 823472477 /nfs/dbraw/zinc/47/24/77/823472477.db2.gz XMYUHJQMYOYWQR-OALUTQOASA-N 1 0 381.520 4.234 20 0 GIADRO O=C(NCc1ccc2sccc2c1)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000573260738 823472480 /nfs/dbraw/zinc/47/24/80/823472480.db2.gz IWZZDWOLDOJQSA-FQEVSTJZSA-N 1 0 393.556 4.265 20 0 GIADRO O=C(CCCOc1cccc2ccccc21)N1CCC([NH+]2CCCCC2)CC1 ZINC000058935746 823472656 /nfs/dbraw/zinc/47/26/56/823472656.db2.gz OTPOBKPHUWAVTA-UHFFFAOYSA-N 1 0 380.532 4.476 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Nc2ccc3c(c2)CCO3)C1 ZINC000410357812 823473082 /nfs/dbraw/zinc/47/30/82/823473082.db2.gz CEGWMFDLAFPEAE-KRWDZBQOSA-N 1 0 379.504 4.175 20 0 GIADRO Cc1ccc(-n2ncc(C(=O)NC[C@H](c3cccs3)[NH+](C)C)c2C(C)C)cc1 ZINC000028834811 820362044 /nfs/dbraw/zinc/36/20/44/820362044.db2.gz OPOIGZZYZMYUEX-LJQANCHMSA-N 1 0 396.560 4.398 20 0 GIADRO O=C(CCc1ccc(Cl)cc1Cl)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000028837489 820362320 /nfs/dbraw/zinc/36/23/20/820362320.db2.gz CGBRLFUIBJGPKG-QGZVFWFLSA-N 1 0 381.303 4.472 20 0 GIADRO COc1cccc(C[N@H+](C)CCC(=O)N[C@@H](c2cccs2)c2ccccc2)c1 ZINC000028852130 820363821 /nfs/dbraw/zinc/36/38/21/820363821.db2.gz SNHXROXEXBBRSY-HSZRJFAPSA-N 1 0 394.540 4.484 20 0 GIADRO COc1ccccc1C[N@H+](C)CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000028852266 820363950 /nfs/dbraw/zinc/36/39/50/820363950.db2.gz DDGMYRPAPFHSBM-QHCPKHFHSA-N 1 0 394.540 4.484 20 0 GIADRO Cc1ccccc1OCCN(C)C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000410360096 823473765 /nfs/dbraw/zinc/47/37/65/823473765.db2.gz PNHOQXKKJOMJII-UHFFFAOYSA-N 1 0 383.536 4.056 20 0 GIADRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(Br)cc2)cc1 ZINC000028893674 820368020 /nfs/dbraw/zinc/36/80/20/820368020.db2.gz AEAQARQHUPIBKU-STQMWFEESA-N 1 0 377.282 4.136 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@H](O)COc2ccc(C(C)(C)C)cc2C)c1 ZINC000028918128 820372591 /nfs/dbraw/zinc/37/25/91/820372591.db2.gz XCXGUUZPQWERJF-VGSWGCGISA-N 1 0 398.547 4.341 20 0 GIADRO CC(C)c1ccccc1OC[C@H](O)C[NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000028919389 820373080 /nfs/dbraw/zinc/37/30/80/820373080.db2.gz IHWNRORLDZDUEP-LAUBAEHRSA-N 1 0 396.531 4.249 20 0 GIADRO COc1cc2c(cc1C[NH2+][C@H](C)c1ccc(NC(=O)C3CC3)cc1)O[C@@H](C)C2 ZINC000028925591 820374509 /nfs/dbraw/zinc/37/45/09/820374509.db2.gz XMHKIIOMOUFDOY-LSDHHAIUSA-N 1 0 380.488 4.218 20 0 GIADRO C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+][C@@H](C)c1ccc(NC(N)=O)cc1 ZINC000177488928 823474442 /nfs/dbraw/zinc/47/44/42/823474442.db2.gz SDDSLJVOWAXAAG-RVKKMQEKSA-N 1 0 390.528 4.006 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000058953703 823475352 /nfs/dbraw/zinc/47/53/52/823475352.db2.gz HWLOUVCWYRTXIL-UHFFFAOYSA-N 1 0 384.564 4.240 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000058955046 823475644 /nfs/dbraw/zinc/47/56/44/823475644.db2.gz GXKQBQVLYXUYBW-UONOGXRCSA-N 1 0 375.513 4.108 20 0 GIADRO CC(C)[C@@H]([NH2+]CC(=O)Nc1cc2c(cc1Cl)OCCCO2)c1ccccc1 ZINC000029117311 820395608 /nfs/dbraw/zinc/39/56/08/820395608.db2.gz BRBJNPHKRDFLNT-OAQYLSRUSA-N 1 0 388.895 4.427 20 0 GIADRO CCOc1ccc(SCC(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000029161798 820402706 /nfs/dbraw/zinc/40/27/06/820402706.db2.gz CQANBBUHEVRFFA-UHFFFAOYSA-N 1 0 398.572 4.131 20 0 GIADRO COc1ccc(C[NH+](C)C)cc1NC(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000029165662 820403539 /nfs/dbraw/zinc/40/35/39/820403539.db2.gz VTBBNCJEYJDGEG-UHFFFAOYSA-N 1 0 384.867 4.053 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Cc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000029167381 820404161 /nfs/dbraw/zinc/40/41/61/820404161.db2.gz VDFFSDFFBDORNT-LJQANCHMSA-N 1 0 378.438 4.447 20 0 GIADRO Cc1oc(-c2ccccc2)nc1CC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000029179350 820408031 /nfs/dbraw/zinc/40/80/31/820408031.db2.gz CXZQQRBLZLOFPL-JOCHJYFZSA-N 1 0 389.499 4.146 20 0 GIADRO CCCOc1ccc(OCC[NH+]2CCC(C(=O)Nc3ccccc3)CC2)cc1 ZINC000029199158 820410092 /nfs/dbraw/zinc/41/00/92/820410092.db2.gz XLAGZOQODUKXLK-UHFFFAOYSA-N 1 0 382.504 4.205 20 0 GIADRO CCCOc1c(Cl)cc(C(=O)NCCCC[NH+]2CCC(C)CC2)cc1OC ZINC000058967941 823477033 /nfs/dbraw/zinc/47/70/33/823477033.db2.gz UBVWBPIKPONFNA-UHFFFAOYSA-N 1 0 396.959 4.379 20 0 GIADRO O=C(NC1CC[NH+](CCOc2ccc3ccccc3c2)CC1)c1ccc(F)cc1 ZINC000029240956 820417275 /nfs/dbraw/zinc/41/72/75/820417275.db2.gz QKLQMKHHQIBROB-UHFFFAOYSA-N 1 0 392.474 4.252 20 0 GIADRO CN(C(=O)c1cc(Cl)ccc1Cl)C1CC[NH+](Cc2ccncc2)CC1 ZINC000059010552 823483045 /nfs/dbraw/zinc/48/30/45/823483045.db2.gz AQTAFXHBNVVXNO-UHFFFAOYSA-N 1 0 378.303 4.125 20 0 GIADRO CC1CC[NH+](Cc2ccc(CNC(=O)CCc3nc4ccccc4o3)cc2)CC1 ZINC000029342332 820440191 /nfs/dbraw/zinc/44/01/91/820440191.db2.gz HXGGZYZYPCZWIQ-UHFFFAOYSA-N 1 0 391.515 4.309 20 0 GIADRO COc1ccc([C@@H](C)N(C)C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000123213197 823479640 /nfs/dbraw/zinc/47/96/40/823479640.db2.gz WINNEMAMWVTBBZ-XMSQKQJNSA-N 1 0 381.520 4.235 20 0 GIADRO Cc1cc(Br)ccc1C(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000058991008 823480280 /nfs/dbraw/zinc/48/02/80/823480280.db2.gz NQJDRAHYCCASEQ-UHFFFAOYSA-N 1 0 393.300 4.101 20 0 GIADRO COc1ccccc1Oc1ccc(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000177517067 823480605 /nfs/dbraw/zinc/48/06/05/823480605.db2.gz XIEYNKPRPWCIQI-GOSISDBHSA-N 1 0 395.503 4.437 20 0 GIADRO COc1cc(NC(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc(OC)c1 ZINC000410377136 823480648 /nfs/dbraw/zinc/48/06/48/823480648.db2.gz ZYTNLVFKORGBSL-KRWDZBQOSA-N 1 0 397.519 4.257 20 0 GIADRO C[N@H+](CC(=O)Nc1cc2c(cc1Cl)OCCCO2)[C@@H]1CCc2ccccc21 ZINC000029489210 820463364 /nfs/dbraw/zinc/46/33/64/820463364.db2.gz ASLCDQWBWGRDNA-GOSISDBHSA-N 1 0 386.879 4.059 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)/C=C/c2ccccc2OC(F)(F)F)CC1 ZINC000059004468 823482112 /nfs/dbraw/zinc/48/21/12/823482112.db2.gz DJHPRJRFQFYYSM-CMDGGOBGSA-N 1 0 384.442 4.177 20 0 GIADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)N[C@@H](c2ccsc2)c2ccc(Cl)cc2)C1 ZINC000573345424 823482206 /nfs/dbraw/zinc/48/22/06/823482206.db2.gz WOCSQSYPMXGIGB-MORSLUCNSA-N 1 0 377.941 4.308 20 0 GIADRO CCC[C@H](NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)c1cccc(C(F)(F)F)c1 ZINC000573344717 823482252 /nfs/dbraw/zinc/48/22/52/823482252.db2.gz XWMUJBXKIMMYCG-PKOBYXMFSA-N 1 0 383.458 4.332 20 0 GIADRO O=C(N[C@@H](c1cc2ccccc2o1)c1ccccc1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000573344684 823482258 /nfs/dbraw/zinc/48/22/58/823482258.db2.gz SUTZAGKSMNODBW-GLHSZLCASA-N 1 0 389.499 4.210 20 0 GIADRO COc1ccc(NC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c2cccnc12 ZINC000123230733 823482332 /nfs/dbraw/zinc/48/23/32/823482332.db2.gz XCTSVNGQSNVCAI-SFHVURJKSA-N 1 0 396.535 4.219 20 0 GIADRO C[C@@H](CCc1ccco1)NC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000410383213 823482388 /nfs/dbraw/zinc/48/23/88/823482388.db2.gz NWSBRRLXWYJPCK-OALUTQOASA-N 1 0 383.536 4.332 20 0 GIADRO O=C(Nc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1)c1ccccc1 ZINC000573355242 823483798 /nfs/dbraw/zinc/48/37/98/823483798.db2.gz IXAUVEVXUZEHJL-XPWALMASSA-N 1 0 377.532 4.339 20 0 GIADRO C[C@@H](c1ccccc1Cl)N1CC[NH+](CCC(=O)Nc2ccccc2F)CC1 ZINC000029692630 820498649 /nfs/dbraw/zinc/49/86/49/820498649.db2.gz VQTITOGDJVYKHS-INIZCTEOSA-N 1 0 389.902 4.187 20 0 GIADRO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2cnc3ccccc3c2)C1 ZINC000410390378 823484033 /nfs/dbraw/zinc/48/40/33/823484033.db2.gz PGBHEIAIYBGVAI-GOSISDBHSA-N 1 0 393.453 4.248 20 0 GIADRO CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+](Cc2ccc(C(C)C)cc2)C2CC2)cc1 ZINC000029706573 820502417 /nfs/dbraw/zinc/50/24/17/820502417.db2.gz OWEDOHNWZMZSGA-HSZRJFAPSA-N 1 0 396.531 4.173 20 0 GIADRO C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1Cc1nnc(-c2ccc(Br)o2)o1 ZINC000177532982 823484422 /nfs/dbraw/zinc/48/44/22/823484422.db2.gz RZUDYHRCQIOSMI-JSGCOSHPSA-N 1 0 388.265 4.470 20 0 GIADRO C[N@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000029715480 820505212 /nfs/dbraw/zinc/50/52/12/820505212.db2.gz NBXUQXOSCIYUNZ-KRWDZBQOSA-N 1 0 376.847 4.009 20 0 GIADRO Cc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)cc1 ZINC000029718319 820505808 /nfs/dbraw/zinc/50/58/08/820505808.db2.gz NLEJLJSGEBGOLI-CTNGQTDRSA-N 1 0 382.467 4.369 20 0 GIADRO C[C@H](C1CC1)[N@H+](CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1)C1CC1 ZINC000029725319 820507379 /nfs/dbraw/zinc/50/73/79/820507379.db2.gz QNSYPGMSQJZNCI-RDTXWAMCSA-N 1 0 383.517 4.282 20 0 GIADRO C[N@H+](CCc1nc(-c2ccccc2)no1)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000573365867 823485083 /nfs/dbraw/zinc/48/50/83/823485083.db2.gz BWGCFAJXYJVTMB-UHFFFAOYSA-N 1 0 379.460 4.056 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(OC(F)F)c3ncccc23)C1 ZINC000177537651 823485502 /nfs/dbraw/zinc/48/55/02/823485502.db2.gz JBXYAOHXNZYDCL-AWEZNQCLSA-N 1 0 392.450 4.032 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(OC(F)F)c3ncccc23)C1 ZINC000177537670 823485534 /nfs/dbraw/zinc/48/55/34/823485534.db2.gz JBXYAOHXNZYDCL-CQSZACIVSA-N 1 0 392.450 4.032 20 0 GIADRO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCN(c2ccccc2Cl)C1 ZINC000573369515 823485491 /nfs/dbraw/zinc/48/54/91/823485491.db2.gz HJJGFZDLHNLLDJ-GOSISDBHSA-N 1 0 383.923 4.401 20 0 GIADRO CC1(C)CC(NC(=O)c2ccccc2OCCOc2ccccc2)CC(C)(C)[NH2+]1 ZINC000029787550 820518431 /nfs/dbraw/zinc/51/84/31/820518431.db2.gz SZTNEMBFELNRQG-UHFFFAOYSA-N 1 0 396.531 4.183 20 0 GIADRO O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000177540117 823486151 /nfs/dbraw/zinc/48/61/51/823486151.db2.gz CRLUVWCGMAPKLV-QGZVFWFLSA-N 1 0 390.959 4.280 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000177542308 823486423 /nfs/dbraw/zinc/48/64/23/823486423.db2.gz CEWHFHXKOYYOHJ-SFHVURJKSA-N 1 0 394.519 4.135 20 0 GIADRO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)[C@@H]1c1ccccc1 ZINC000189750160 823487580 /nfs/dbraw/zinc/48/75/80/823487580.db2.gz YFGLAOJFGZBDRJ-RDJZCZTQSA-N 1 0 385.418 4.067 20 0 GIADRO CC[N@H+](CC(=O)N(Cc1ccccc1)[C@H](C)c1cccc(NC(C)=O)c1)C1CC1 ZINC000029914268 820547305 /nfs/dbraw/zinc/54/73/05/820547305.db2.gz SKTYATBDGCBLQB-GOSISDBHSA-N 1 0 393.531 4.219 20 0 GIADRO CCOC1CC(CCNC(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)C1 ZINC000189752791 823487892 /nfs/dbraw/zinc/48/78/92/823487892.db2.gz OZHKPFWNQBMMDT-ACBHZAAOSA-N 1 0 393.597 4.026 20 0 GIADRO O=S(=O)(N[C@H](C[NH+]1CCCC1)c1ccccc1)c1c(Cl)cccc1Cl ZINC000030004436 820566722 /nfs/dbraw/zinc/56/67/22/820566722.db2.gz WLLZQZNKUBPPMU-QGZVFWFLSA-N 1 0 399.343 4.109 20 0 GIADRO CCCc1c(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)[nH]c(C)c1C(=O)OC ZINC000059403492 823495321 /nfs/dbraw/zinc/49/53/21/823495321.db2.gz XRMNOYZDCRTTCG-UHFFFAOYSA-N 1 0 397.519 4.300 20 0 GIADRO CC(C)[C@H](C)[N@H+](C)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000030149222 820578856 /nfs/dbraw/zinc/57/88/56/820578856.db2.gz PZLJJNBYSGZWJO-GOEBONIOSA-N 1 0 375.563 4.464 20 0 GIADRO COc1ccc(-c2cc(CN3CCC[N@H+](Cc4ccccc4C)CC3)on2)cc1 ZINC000030154120 820580679 /nfs/dbraw/zinc/58/06/79/820580679.db2.gz BPBNWCJZBFOVOI-UHFFFAOYSA-N 1 0 391.515 4.367 20 0 GIADRO CC(C)c1cccc(O[C@H](C(=O)N(C)C2CC[NH+](C)CC2)c2ccccc2)c1 ZINC000410426527 823494274 /nfs/dbraw/zinc/49/42/74/823494274.db2.gz PXQHIFYRGBZOCR-QHCPKHFHSA-N 1 0 380.532 4.483 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@@H](c3ccccc3OC)C2)c1 ZINC000123310755 823494561 /nfs/dbraw/zinc/49/45/61/823494561.db2.gz AGRTUMNFLXVJLC-OAQYLSRUSA-N 1 0 395.547 4.236 20 0 GIADRO CCC[C@H](C)[N@H+](C)CC(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 ZINC000030269788 820593389 /nfs/dbraw/zinc/59/33/89/820593389.db2.gz IETUSHRTWUYEDX-ROUUACIJSA-N 1 0 381.520 4.237 20 0 GIADRO Clc1ccc(Cc2nc(CN3CCC[C@H]([NH+]4CCCC4)C3)cs2)cc1 ZINC000059386255 823494717 /nfs/dbraw/zinc/49/47/17/823494717.db2.gz REGQNAHAYQSBEV-IBGZPJMESA-N 1 0 375.969 4.448 20 0 GIADRO O=C(CCC[NH2+]Cc1cnc(-c2cccs2)s1)N1Cc2ccccc2C1 ZINC000177579709 823495459 /nfs/dbraw/zinc/49/54/59/823495459.db2.gz IKPWOQQRIXHAAY-UHFFFAOYSA-N 1 0 383.542 4.284 20 0 GIADRO COc1ccccc1C(C)(C)[NH2+]Cc1cc(Br)c(O)c(OC)c1 ZINC000177557292 823490125 /nfs/dbraw/zinc/49/01/25/823490125.db2.gz CSSXVBJAIWUOBE-UHFFFAOYSA-N 1 0 380.282 4.197 20 0 GIADRO CSc1nnc(CCC[NH2+]Cc2cccc3c2OC(C)(C)C3)n1CC(C)C ZINC000177558572 823490817 /nfs/dbraw/zinc/49/08/17/823490817.db2.gz GJTSGHFNDCHCET-UHFFFAOYSA-N 1 0 388.581 4.092 20 0 GIADRO C[C@H]1C[C@H]([NH2+][C@H](CN2CCN(C)CC2)c2ccccc2)c2ccsc2S1 ZINC000573419043 823491190 /nfs/dbraw/zinc/49/11/90/823491190.db2.gz UAGKKFYQLSRQSG-FFZOFVMBSA-N 1 0 387.618 4.252 20 0 GIADRO C[C@H]1C[C@@H]([NH2+][C@H](CN2CCN(C)CC2)c2ccccc2)c2ccsc2S1 ZINC000573419044 823491211 /nfs/dbraw/zinc/49/12/11/823491211.db2.gz UAGKKFYQLSRQSG-PWIZWCRZSA-N 1 0 387.618 4.252 20 0 GIADRO COc1cccc(NC(=O)[C@H]([NH2+]CCOc2cccc(F)c2)c2ccccc2)c1 ZINC000030501126 820624747 /nfs/dbraw/zinc/62/47/47/820624747.db2.gz JUFNIMJJENPHQD-JOCHJYFZSA-N 1 0 394.446 4.183 20 0 GIADRO Cc1sc2[nH]c([C@H](C)[NH2+]CC3(c4ccccc4)CCOCC3)nc(=O)c2c1C ZINC000030507963 820626698 /nfs/dbraw/zinc/62/66/98/820626698.db2.gz UZYUVUKSPNQBOQ-HNNXBMFYSA-N 1 0 397.544 4.000 20 0 GIADRO Cc1ccc(NC(=O)[C@@H](C)[NH2+]CC2(c3ccccc3)CCOCC2)c(Cl)c1 ZINC000030508700 820626753 /nfs/dbraw/zinc/62/67/53/820626753.db2.gz HARAWOLERBJIQF-QGZVFWFLSA-N 1 0 386.923 4.313 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2C)cc1Br ZINC000030509779 820627407 /nfs/dbraw/zinc/62/74/07/820627407.db2.gz UAWGEHJEJXKRTQ-KGLIPLIRSA-N 1 0 391.309 4.444 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2)cc1Br ZINC000030509625 820627494 /nfs/dbraw/zinc/62/74/94/820627494.db2.gz XNDYHGZCNXEYSR-STQMWFEESA-N 1 0 377.282 4.136 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(COCc2ccco2)c1)C(=O)Nc1cccc(F)c1 ZINC000030511244 820627828 /nfs/dbraw/zinc/62/78/28/820627828.db2.gz LQCBMWOYQLJFIF-MRXNPFEDSA-N 1 0 382.435 4.252 20 0 GIADRO CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@@H](c2ccc(C(C)C)cc2)C(C)C)cc1 ZINC000030530714 820633405 /nfs/dbraw/zinc/63/34/05/820633405.db2.gz BQKPAVZJNPEPRK-ISKFKSNPSA-N 1 0 398.547 4.495 20 0 GIADRO CC[NH+](CC)CCOc1ccc(C(=O)N2CCC[C@@H]2c2cccc(OC)c2)cc1 ZINC000059335982 823492369 /nfs/dbraw/zinc/49/23/69/823492369.db2.gz HABIWZWECGERMQ-HSZRJFAPSA-N 1 0 396.531 4.393 20 0 GIADRO CCN(CCC[NH+]1CCCC1)C(=O)Nc1nc(-c2ccccc2Cl)ns1 ZINC000189776693 823492388 /nfs/dbraw/zinc/49/23/88/823492388.db2.gz RGSADAJNZZDCKP-UHFFFAOYSA-N 1 0 393.944 4.198 20 0 GIADRO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ncoc1-c1ccccc1Cl ZINC000460714461 823492407 /nfs/dbraw/zinc/49/24/07/823492407.db2.gz CSIBKVOUHWSDBC-KRWDZBQOSA-N 1 0 395.890 4.389 20 0 GIADRO Cc1c(C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)sc2nc(C)nc(C)c12 ZINC000030545467 820637350 /nfs/dbraw/zinc/63/73/50/820637350.db2.gz CLSYRRUWDXTRHG-CYBMUJFWSA-N 1 0 378.505 4.048 20 0 GIADRO CCCOc1ccc(OCC(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000030551751 820639172 /nfs/dbraw/zinc/63/91/72/820639172.db2.gz XBFAYTGJROUTJS-UHFFFAOYSA-N 1 0 396.531 4.157 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCc2nc(C3CC3)cs2)CC1 ZINC000123318937 823495546 /nfs/dbraw/zinc/49/55/46/823495546.db2.gz PGCJDORKWQDTFT-INIZCTEOSA-N 1 0 390.597 4.207 20 0 GIADRO COc1cc(C[NH2+][C@@H](C)c2ccc(OC(F)(F)F)cc2)cc2c1OCCO2 ZINC000030631079 820654439 /nfs/dbraw/zinc/65/44/39/820654439.db2.gz QUBDMTRQHMLTBE-LBPRGKRZSA-N 1 0 383.366 4.216 20 0 GIADRO CN(CC[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccccc1 ZINC000030633801 820654925 /nfs/dbraw/zinc/65/49/25/820654925.db2.gz XXXPAZWUMINDTJ-UHFFFAOYSA-N 1 0 397.526 4.219 20 0 GIADRO COc1cc(C[NH2+]C(C)(C)C)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000030641728 820656847 /nfs/dbraw/zinc/65/68/47/820656847.db2.gz UZQKGWQGWFKEJO-UHFFFAOYSA-N 1 0 394.874 4.393 20 0 GIADRO c1cnn(-c2ccc(CC[NH2+]Cc3ccccc3OCc3cccnc3)cc2)c1 ZINC000030655512 820659188 /nfs/dbraw/zinc/65/91/88/820659188.db2.gz BTVRJXXRHZKLHQ-UHFFFAOYSA-N 1 0 384.483 4.179 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cnn([C@@H](C)C2CC2)c1 ZINC000189798508 823496533 /nfs/dbraw/zinc/49/65/33/823496533.db2.gz IALUMYXFSDMKII-AZUAARDMSA-N 1 0 395.551 4.230 20 0 GIADRO Clc1cc(Cl)c2nc(CN3CCC(OC[C@@H]4CCCCO4)CC3)cn2c1 ZINC000177586412 823496654 /nfs/dbraw/zinc/49/66/54/823496654.db2.gz DQUBTBJOXMTHTG-KRWDZBQOSA-N 1 0 398.334 4.191 20 0 GIADRO Cc1sc2ncnc(SCC(=O)Nc3ccc(C[NH+](C)C)cc3)c2c1C ZINC000030771170 820680266 /nfs/dbraw/zinc/68/02/66/820680266.db2.gz VZTSFHFFIHJTPW-UHFFFAOYSA-N 1 0 386.546 4.101 20 0 GIADRO CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000030771684 820680288 /nfs/dbraw/zinc/68/02/88/820680288.db2.gz MLPVZBOAUQQOIW-UHFFFAOYSA-N 1 0 377.492 4.204 20 0 GIADRO CC(C)(C)c1cc(C(=O)NC[C@@H](c2cccc(Cl)c2)N2CCCC2)no1 ZINC000460729230 823497258 /nfs/dbraw/zinc/49/72/58/823497258.db2.gz WWCSXERCRNHTIB-KRWDZBQOSA-N 1 0 375.900 4.192 20 0 GIADRO C[C@@]1(c2ccccc2)CC[C@H]([NH+]2CCN(CCCOCC(F)(F)F)CC2)C1 ZINC000189803049 823497400 /nfs/dbraw/zinc/49/74/00/823497400.db2.gz OFIDXNXDPUCYJH-VQTJNVASSA-N 1 0 384.486 4.083 20 0 GIADRO CC(C)[NH2+]C1CCN(c2nnc(-c3cc(Br)ccc3F)s2)CC1 ZINC000189804206 823497687 /nfs/dbraw/zinc/49/76/87/823497687.db2.gz XOUNEQNRSGAYRT-UHFFFAOYSA-N 1 0 399.333 4.074 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc(NC(=O)NC(C)C)cc2)cc1 ZINC000030843040 820691881 /nfs/dbraw/zinc/69/18/81/820691881.db2.gz MVDHVXZDLAKODN-UHFFFAOYSA-N 1 0 382.508 4.311 20 0 GIADRO CSc1cccc(N(C(=O)c2cc(C)n(C(C)C)n2)C2CC[NH+](C)CC2)c1 ZINC000410473029 823498134 /nfs/dbraw/zinc/49/81/34/823498134.db2.gz UPHFSUDMNYXBGS-UHFFFAOYSA-N 1 0 386.565 4.235 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2scnc2C(F)(F)F)CC1 ZINC000410481266 823498671 /nfs/dbraw/zinc/49/86/71/823498671.db2.gz DWVYLFAKLZSYBI-LBPRGKRZSA-N 1 0 383.439 4.117 20 0 GIADRO Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+]Cc2ccnn2C)cc1 ZINC000030906792 820706064 /nfs/dbraw/zinc/70/60/64/820706064.db2.gz VBMNQKXSCINXBU-UHFFFAOYSA-N 1 0 375.451 4.010 20 0 GIADRO Cc1ccc(COc2ccc(C[NH2+]Cc3cccnc3-n3cccn3)cc2)cc1 ZINC000030902173 820706134 /nfs/dbraw/zinc/70/61/34/820706134.db2.gz IMNNMYIXERXYLD-UHFFFAOYSA-N 1 0 384.483 4.445 20 0 GIADRO Cn1ncc2c1CCC[C@H]2[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000030908789 820706895 /nfs/dbraw/zinc/70/68/95/820706895.db2.gz POCJKRPWQCKPLH-HXUWFJFHSA-N 1 0 394.906 4.493 20 0 GIADRO Cc1c([C@@H](C)[NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)cnn1C ZINC000030909504 820707428 /nfs/dbraw/zinc/70/74/28/820707428.db2.gz INOZUJNDNKNGJK-CQSZACIVSA-N 1 0 382.895 4.485 20 0 GIADRO Fc1cccc(Cl)c1[C@H](C[NH2+]Cc1ccc2c(c1)OCCO2)N1CCCC1 ZINC000030910884 820707696 /nfs/dbraw/zinc/70/76/96/820707696.db2.gz PSTCPTPYGQFKFK-SFHVURJKSA-N 1 0 390.886 4.177 20 0 GIADRO Cc1cccc2nc(C3CC[NH+](C[C@H]4CN(c5ccccc5)C(=O)O4)CC3)oc21 ZINC000189809173 823498867 /nfs/dbraw/zinc/49/88/67/823498867.db2.gz CQFULUKTBOOEJI-IBGZPJMESA-N 1 0 391.471 4.341 20 0 GIADRO O=C(Nc1ccc(Br)cc1F)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000030938489 820710549 /nfs/dbraw/zinc/71/05/49/820710549.db2.gz GZPYWSSHYAOUBY-HNNXBMFYSA-N 1 0 391.284 4.439 20 0 GIADRO Cc1cccc2nc(C3CC[NH+]([C@H](C)C(=O)NCCc4cccs4)CC3)oc21 ZINC000189811383 823499692 /nfs/dbraw/zinc/49/96/92/823499692.db2.gz NWIOZGDFDMZQSW-MRXNPFEDSA-N 1 0 397.544 4.125 20 0 GIADRO O=C(NCc1ccc(COCC(F)(F)F)cc1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000177628470 823504002 /nfs/dbraw/zinc/50/40/02/823504002.db2.gz SCBRTZHHOWJKMO-SFHVURJKSA-N 1 0 398.469 4.036 20 0 GIADRO CC[C@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccccc1OC(F)F ZINC000031106812 820744776 /nfs/dbraw/zinc/74/47/76/820744776.db2.gz UKYWRFLIYFQFIW-HNNXBMFYSA-N 1 0 383.483 4.348 20 0 GIADRO C[C@@H](CNC(=O)N[C@@H]1CCSc2c(F)cccc21)[N@@H+]1CCc2ccccc2C1 ZINC000031106705 820745022 /nfs/dbraw/zinc/74/50/22/820745022.db2.gz VZXQSICKNCYMRQ-MGPUTAFESA-N 1 0 399.535 4.109 20 0 GIADRO CCN(Cc1cccc(F)c1)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000031148760 820754095 /nfs/dbraw/zinc/75/40/95/820754095.db2.gz ASQNRADUNVTVAA-UHFFFAOYSA-N 1 0 383.511 4.064 20 0 GIADRO C[C@H](NC(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1ccccc1Cl ZINC000031148717 820754148 /nfs/dbraw/zinc/75/41/48/820754148.db2.gz NGDJNCVIFXEALG-KRWDZBQOSA-N 1 0 385.939 4.407 20 0 GIADRO C[C@H](c1ccc(F)cc1)N(C)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000031149226 820754634 /nfs/dbraw/zinc/75/46/34/820754634.db2.gz IMIRAOBPBVUZEN-GOSISDBHSA-N 1 0 383.511 4.235 20 0 GIADRO Cc1ccc(-c2nc(C(=O)NC[C@H](c3ccccc3)[NH+]3CCCC3)cs2)o1 ZINC000031210824 820770044 /nfs/dbraw/zinc/77/00/44/820770044.db2.gz QJJNTFFHWJXRGM-GOSISDBHSA-N 1 0 381.501 4.278 20 0 GIADRO Cc1cccc2nc(C3CC[NH+](CCC(=O)Nc4cc(N)ccc4F)CC3)oc21 ZINC000189817227 823501364 /nfs/dbraw/zinc/50/13/64/823501364.db2.gz FGFQVGHDGGOXGD-UHFFFAOYSA-N 1 0 396.466 4.066 20 0 GIADRO CCC(CC)n1ncc(C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)c1C ZINC000123368978 823502373 /nfs/dbraw/zinc/50/23/73/823502373.db2.gz RBYMUVBPEGXPKC-SFHVURJKSA-N 1 0 382.552 4.289 20 0 GIADRO COc1ccc(C[N@H+](Cc2ccc(C(N)=O)cc2)C2CCCCC2)cc1OC ZINC000123374289 823502641 /nfs/dbraw/zinc/50/26/41/823502641.db2.gz YHCLAANPRJRTSR-UHFFFAOYSA-N 1 0 382.504 4.138 20 0 GIADRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)Cc1c(Cl)cccc1Cl ZINC000059923849 823502963 /nfs/dbraw/zinc/50/29/63/823502963.db2.gz FDSUJIWQKJIDCX-UHFFFAOYSA-N 1 0 383.294 4.265 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(Br)c(Cl)c1)c1ccc2c(c1)NC(=O)CO2 ZINC000189831571 823503408 /nfs/dbraw/zinc/50/34/08/823503408.db2.gz VXIJXZZYGUMDJY-SNVBAGLBSA-N 1 0 395.684 4.284 20 0 GIADRO Cc1onc(-c2ccc(F)cc2)c1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000031542215 820823435 /nfs/dbraw/zinc/82/34/35/820823435.db2.gz ZTTVTNWWZMGEMA-HXUWFJFHSA-N 1 0 393.462 4.184 20 0 GIADRO O=C(Cc1cccc(C(F)(F)F)c1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000031565998 820827264 /nfs/dbraw/zinc/82/72/64/820827264.db2.gz YGGNLDYTGQTUEC-IBGZPJMESA-N 1 0 376.422 4.029 20 0 GIADRO Cc1ccccc1NC(=O)Cc1nc(C[N@@H+](C(C)C)C2CCOCC2)cs1 ZINC000177653725 823507872 /nfs/dbraw/zinc/50/78/72/823507872.db2.gz FHMORTRRLVFYDT-UHFFFAOYSA-N 1 0 387.549 4.022 20 0 GIADRO COc1ccc([C@H](C)CC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000177656506 823508471 /nfs/dbraw/zinc/50/84/71/823508471.db2.gz WDKIJUJIDRDDCJ-TZIWHRDSSA-N 1 0 380.532 4.169 20 0 GIADRO C[C@@H](C1CC1)[N@H+](CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1)C1CC1 ZINC000031654621 820839474 /nfs/dbraw/zinc/83/94/74/820839474.db2.gz NUDMITATLXTUFN-KBXCAEBGSA-N 1 0 383.517 4.282 20 0 GIADRO CC(=O)c1ccc(NC(=O)NC[C@H](C(C)C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000031660887 820840399 /nfs/dbraw/zinc/84/03/99/820840399.db2.gz PNZOUEUSLYDIER-JOCHJYFZSA-N 1 0 379.504 4.094 20 0 GIADRO Cc1nc(Cl)sc1C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC000177658015 823509100 /nfs/dbraw/zinc/50/91/00/823509100.db2.gz DZCBCDLFWSMQJQ-UHFFFAOYSA-N 1 0 396.919 4.027 20 0 GIADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2ccc(C(F)(F)F)nc2C)CC1 ZINC000031765268 820856694 /nfs/dbraw/zinc/85/66/94/820856694.db2.gz XARABAIWSXIUTF-UHFFFAOYSA-N 1 0 391.437 4.065 20 0 GIADRO Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000060155987 823510214 /nfs/dbraw/zinc/51/02/14/823510214.db2.gz FXZBMLULSZIFIB-IBGZPJMESA-N 1 0 396.922 4.175 20 0 GIADRO CCc1ccc(CN(C)C(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000060219775 823512532 /nfs/dbraw/zinc/51/25/32/823512532.db2.gz AAJFALKHOFMONM-UHFFFAOYSA-N 1 0 385.577 4.364 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)[C@H](C)Oc1ccc(Cl)cc1C)c1ccco1 ZINC000060157106 823510320 /nfs/dbraw/zinc/51/03/20/823510320.db2.gz PGYVLTKFLHBYLT-DOTOQJQBSA-N 1 0 378.900 4.208 20 0 GIADRO CC[NH+](CC)[C@H](C)CNC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12 ZINC000031825878 820866369 /nfs/dbraw/zinc/86/63/69/820866369.db2.gz FELWLWUQRSNCSI-MRXNPFEDSA-N 1 0 392.499 4.229 20 0 GIADRO Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000031855005 820867866 /nfs/dbraw/zinc/86/78/66/820867866.db2.gz ITFLSVSMYZBJJA-CAPFRKAQSA-N 1 0 375.472 4.015 20 0 GIADRO O=C(CCc1c[nH]c2ccccc12)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000060159705 823510626 /nfs/dbraw/zinc/51/06/26/823510626.db2.gz JASMXQUDNJWFJA-HXUWFJFHSA-N 1 0 375.516 4.129 20 0 GIADRO C[NH+]1CCN(c2ccccc2NC(=O)c2ccc(OC3CCCC3)cc2)CC1 ZINC000031885117 820869926 /nfs/dbraw/zinc/86/99/26/820869926.db2.gz RJFUVWGVAJPTKE-UHFFFAOYSA-N 1 0 379.504 4.012 20 0 GIADRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)c(C)n1C(C)C ZINC000060167920 823511015 /nfs/dbraw/zinc/51/10/15/823511015.db2.gz VDEAYEXVVSFSAB-UHFFFAOYSA-N 1 0 377.479 4.168 20 0 GIADRO O=C(CCCc1ccc(F)c(F)c1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000123470654 823512376 /nfs/dbraw/zinc/51/23/76/823512376.db2.gz PZSFEFUEARFFAU-UHFFFAOYSA-N 1 0 390.449 4.207 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1)c1cccs1 ZINC000031956688 820879062 /nfs/dbraw/zinc/87/90/62/820879062.db2.gz ICESFEQWXZIWMC-UHFFFAOYSA-N 1 0 391.540 4.000 20 0 GIADRO O=c1[nH]c(CC[N@@H+](CCc2ccc(F)cc2)C2CCCC2)nc2ccccc21 ZINC000123460570 823511287 /nfs/dbraw/zinc/51/12/87/823511287.db2.gz PZFMUJXARUNLJV-UHFFFAOYSA-N 1 0 379.479 4.092 20 0 GIADRO CCOC(=O)Nc1ccc(C(=O)NC[C@@H](c2ccsc2)[NH+](CC)CC)cc1 ZINC000031986094 820884897 /nfs/dbraw/zinc/88/48/97/820884897.db2.gz FCKMYPPYUNGKFM-SFHVURJKSA-N 1 0 389.521 4.129 20 0 GIADRO O=C(Nc1cccc(OCc2cccnc2)c1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000177680046 823512794 /nfs/dbraw/zinc/51/27/94/823512794.db2.gz TYJZTDDSMGPOJP-IBGZPJMESA-N 1 0 379.504 4.254 20 0 GIADRO CC(C)N1CCC[C@@H]([NH+]2CCC(c3nc4cc(Cl)ccc4o3)CC2)C1=O ZINC000177687503 823513746 /nfs/dbraw/zinc/51/37/46/823513746.db2.gz FMGMIEVOCZMBLJ-QGZVFWFLSA-N 1 0 375.900 4.060 20 0 GIADRO CC[NH+](CC)CCn1ccc2cc(NC(=O)CN(C)Cc3ccccc3)ccc21 ZINC000060270898 823513787 /nfs/dbraw/zinc/51/37/87/823513787.db2.gz SGGIOZARCVQNQA-UHFFFAOYSA-N 1 0 392.547 4.054 20 0 GIADRO CN(C(=O)c1cccc(Oc2ccc(Cl)c(Cl)c2)n1)C1CC[NH+](C)CC1 ZINC000123492256 823514121 /nfs/dbraw/zinc/51/41/21/823514121.db2.gz SSANSJGXPFXWBE-UHFFFAOYSA-N 1 0 394.302 4.347 20 0 GIADRO Cc1ccc(-c2ocnc2C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000460794156 823514217 /nfs/dbraw/zinc/51/42/17/823514217.db2.gz WWDZYSICSBFCFH-UHFFFAOYSA-N 1 0 375.472 4.176 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(C(=O)OC)s1)c1ccccc1Cl ZINC000032317782 820914024 /nfs/dbraw/zinc/91/40/24/820914024.db2.gz ZSHZWIANZAFOCE-OAHLLOKOSA-N 1 0 394.924 4.001 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(Cl)c(Cl)[nH]1)c1cccc(OC)c1 ZINC000032318293 820914052 /nfs/dbraw/zinc/91/40/52/820914052.db2.gz HYCHTWIDSBZOIG-INIZCTEOSA-N 1 0 384.307 4.143 20 0 GIADRO Cc1nc(CN2CC[NH+](CCCc3ccc(C(F)(F)F)cc3)CC2)oc1C ZINC000177705397 823514913 /nfs/dbraw/zinc/51/49/13/823514913.db2.gz XTGBRROKBJERCO-UHFFFAOYSA-N 1 0 381.442 4.061 20 0 GIADRO OCC[C@H]1CCC[C@@H]1[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000189935384 823515445 /nfs/dbraw/zinc/51/54/45/823515445.db2.gz IRPSUWSOLZDDEO-QUCCMNQESA-N 1 0 381.545 4.301 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)NCc1ccccc1CO)C1CCCCC1 ZINC000060322522 823515482 /nfs/dbraw/zinc/51/54/82/823515482.db2.gz HRNUDBPUXGAVPZ-UHFFFAOYSA-N 1 0 381.520 4.265 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1csc(Br)c1 ZINC000032422036 820941190 /nfs/dbraw/zinc/94/11/90/820941190.db2.gz DJWJADJNVUCWTG-UHFFFAOYSA-N 1 0 379.323 4.036 20 0 GIADRO Cc1sc(NC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)nc1-c1c[nH]c2ncccc12 ZINC000123516400 823516400 /nfs/dbraw/zinc/51/64/00/823516400.db2.gz QXMCSTSUJQDSON-XQQFMLRXSA-N 1 0 383.521 4.195 20 0 GIADRO O=C(CCCc1c[nH]c2ccccc12)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000032461916 820949304 /nfs/dbraw/zinc/94/93/04/820949304.db2.gz YALHNFHSEKUNRZ-UHFFFAOYSA-N 1 0 375.516 4.403 20 0 GIADRO CCCCC1CCC(C(=O)Nc2ccccc2C[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000060336406 823516585 /nfs/dbraw/zinc/51/65/85/823516585.db2.gz KROBPAKEERZVBG-GRERDSQWSA-N 1 0 399.579 4.319 20 0 GIADRO Cc1ccc(Br)cc1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000460803758 823516939 /nfs/dbraw/zinc/51/69/39/823516939.db2.gz GWKOHHKNYHOKRW-MRXNPFEDSA-N 1 0 393.350 4.386 20 0 GIADRO C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3cnc(-c4ccccc4)s3)CC2)C1 ZINC000123524045 823517174 /nfs/dbraw/zinc/51/71/74/823517174.db2.gz CBGYJWRTXUZJNE-KRWDZBQOSA-N 1 0 383.561 4.281 20 0 GIADRO Cc1ccc(-c2ocnc2C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000460806433 823517566 /nfs/dbraw/zinc/51/75/66/823517566.db2.gz PHPMBJDWRHXCLZ-FQEVSTJZSA-N 1 0 375.472 4.217 20 0 GIADRO COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H]2CCC[C@@H]2CCO)cc1 ZINC000189962614 823518408 /nfs/dbraw/zinc/51/84/08/823518408.db2.gz IWJOYHZXXSYZKC-WZONZLPQSA-N 1 0 391.515 4.189 20 0 GIADRO OCC[C@@H]1CCC[C@H]1[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000189964094 823518607 /nfs/dbraw/zinc/51/86/07/823518607.db2.gz JYYXTPUOOJDFGC-NZQKXSOJSA-N 1 0 375.516 4.239 20 0 GIADRO Cc1ccc(-c2nnc([C@H](C)[NH2+]CC3(N4CCOCC4)CCCCC3)o2)cc1C ZINC000123535767 823518710 /nfs/dbraw/zinc/51/87/10/823518710.db2.gz CXCHKPIYPQIKJW-IBGZPJMESA-N 1 0 398.551 4.039 20 0 GIADRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)c2cccnc2Cl)cc1 ZINC000123538386 823519134 /nfs/dbraw/zinc/51/91/34/823519134.db2.gz ZOWIVQUEQWHKQD-UHFFFAOYSA-N 1 0 379.891 4.394 20 0 GIADRO Cc1csc(SCc2ccc(C(=O)N[C@@H](C)C[NH+]3CCCCC3)cc2)n1 ZINC000032662465 820986253 /nfs/dbraw/zinc/98/62/53/820986253.db2.gz SXZCYTFFCLWJTF-HNNXBMFYSA-N 1 0 389.590 4.348 20 0 GIADRO CCN(C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C)[C@H](C)Cc1ccsc1 ZINC000189972363 823519709 /nfs/dbraw/zinc/51/97/09/823519709.db2.gz IPOAXMKDHDIUNO-UZLBHIALSA-N 1 0 389.565 4.022 20 0 GIADRO CC[NH+](CC)CCCNC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1 ZINC000460814961 823520110 /nfs/dbraw/zinc/52/01/10/823520110.db2.gz LRRNTPGWMGXENB-UHFFFAOYSA-N 1 0 397.306 4.037 20 0 GIADRO Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000032727903 820997750 /nfs/dbraw/zinc/99/77/50/820997750.db2.gz WSBDYRDOOGYUCH-KRWDZBQOSA-N 1 0 397.906 4.206 20 0 GIADRO Cc1cc(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)c(C)n1Cc1ccccc1 ZINC000032729919 820998677 /nfs/dbraw/zinc/99/86/77/820998677.db2.gz PLPKWQCONHRYQR-QHCPKHFHSA-N 1 0 393.506 4.325 20 0 GIADRO CCc1ccc([C@H](CNC(=O)c2ccc(Br)s2)[NH+](C)C)cc1 ZINC000032732804 820999682 /nfs/dbraw/zinc/99/96/82/820999682.db2.gz IEWGFHOUJMTVIN-AWEZNQCLSA-N 1 0 381.339 4.106 20 0 GIADRO CCc1ccc([C@H](CNC(=O)Cc2csc(-c3ccccc3)n2)[NH+](C)C)cc1 ZINC000032732859 820999778 /nfs/dbraw/zinc/99/97/78/820999778.db2.gz SFODZBHAOREBMA-NRFANRHFSA-N 1 0 393.556 4.334 20 0 GIADRO C[C@@H](CNC(=O)c1cccc(NC(=O)OC(C)(C)C)c1)[N@@H+]1CCCC[C@H]1C ZINC000032733400 821000117 /nfs/dbraw/zinc/00/01/17/821000117.db2.gz YIDJUYPCTKABCG-CVEARBPZSA-N 1 0 375.513 4.026 20 0 GIADRO Cc1nc(COc2cccc(C(=O)NC[C@H](C)[N@@H+]3CCCC[C@@H]3C)c2)cs1 ZINC000032734311 821000176 /nfs/dbraw/zinc/00/01/76/821000176.db2.gz VDJREAZQSICBAK-HOTGVXAUSA-N 1 0 387.549 4.023 20 0 GIADRO COc1ccc(-c2nc(C)c(C(=O)NC[C@H](C)[N@@H+]3CCCC[C@@H]3C)s2)cc1 ZINC000032733752 821000227 /nfs/dbraw/zinc/00/02/27/821000227.db2.gz ZPNIXNHYTHUMEY-GJZGRUSLSA-N 1 0 387.549 4.120 20 0 GIADRO CCc1ccc([C@@H](CNC(=O)c2cnn(-c3ccc(C)cc3)c2C)[NH+](C)C)cc1 ZINC000032734756 821000276 /nfs/dbraw/zinc/00/02/76/821000276.db2.gz IPOWIXHJTZMFEI-HSZRJFAPSA-N 1 0 390.531 4.084 20 0 GIADRO CCc1ccc([C@H](CNC(=O)c2ccccc2Br)[NH+](C)C)cc1 ZINC000032735598 821001338 /nfs/dbraw/zinc/00/13/38/821001338.db2.gz DOQYYCSYKOGNJJ-SFHVURJKSA-N 1 0 375.310 4.044 20 0 GIADRO O=C(CCC(=O)c1ccc(Cl)cc1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000032763336 821005321 /nfs/dbraw/zinc/00/53/21/821005321.db2.gz UUZJKCMCFCWFGS-KRWDZBQOSA-N 1 0 390.936 4.318 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1cnn(Cc2ccccc2)c1)c1ccc(N2CCOC2=O)cc1 ZINC000177756190 823521507 /nfs/dbraw/zinc/52/15/07/823521507.db2.gz RVZTWONDVJGYKK-MSOLQXFVSA-N 1 0 390.487 4.300 20 0 GIADRO COc1cccc([C@H](CNC(=O)[C@H](C)c2cccc(Cl)c2)[NH+]2CCCC2)c1 ZINC000460819835 823521466 /nfs/dbraw/zinc/52/14/66/823521466.db2.gz UDCRRPURNOPRIB-IERDGZPVSA-N 1 0 386.923 4.405 20 0 GIADRO COc1cccc([C@H](CNC(=O)[C@@H](C)c2cccc(Cl)c2)[NH+]2CCCC2)c1 ZINC000460819837 823521509 /nfs/dbraw/zinc/52/15/09/823521509.db2.gz UDCRRPURNOPRIB-KKSFZXQISA-N 1 0 386.923 4.405 20 0 GIADRO COc1cccc([C@@H](CNC(=O)[C@@H](C)c2cccc(Cl)c2)[NH+]2CCCC2)c1 ZINC000460819834 823521563 /nfs/dbraw/zinc/52/15/63/823521563.db2.gz UDCRRPURNOPRIB-HRAATJIYSA-N 1 0 386.923 4.405 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)c(CC(=O)NCc2cccc(C[NH+](C)C)c2)s1 ZINC000033083994 821031699 /nfs/dbraw/zinc/03/16/99/821031699.db2.gz OHQHTPFGZLTUHA-UHFFFAOYSA-N 1 0 393.556 4.347 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cccc(Cn2ccnc2C(C)C)c1 ZINC000177765912 823522699 /nfs/dbraw/zinc/52/26/99/823522699.db2.gz MZOZOLNDRFNACR-RTWAWAEBSA-N 1 0 395.551 4.145 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)c2cc(-c3ccncc3)nc3ccccc32)c1 ZINC000033084854 821032067 /nfs/dbraw/zinc/03/20/67/821032067.db2.gz CGGHSKFFMXNQIQ-UHFFFAOYSA-N 1 0 396.494 4.288 20 0 GIADRO CCc1c(C(=O)NCc2cccc(C[NH+](C)C)c2)cnn1-c1cccc(Cl)c1 ZINC000033089729 821032099 /nfs/dbraw/zinc/03/20/99/821032099.db2.gz GZNKMGYBMBJNSZ-UHFFFAOYSA-N 1 0 396.922 4.080 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1sc2nc(C(F)(F)F)ccc2c1C ZINC000177767438 823522935 /nfs/dbraw/zinc/52/29/35/823522935.db2.gz YICAZWWQZBEMLW-OLZOCXBDSA-N 1 0 397.466 4.322 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)CCc2ncc(-c3ccccc3Cl)o2)CC1 ZINC000060404350 823524106 /nfs/dbraw/zinc/52/41/06/823524106.db2.gz FGYMNCAPVRKKGM-UHFFFAOYSA-N 1 0 389.927 4.260 20 0 GIADRO CCCOc1ccc(C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)cc1OCCC ZINC000060394478 823523447 /nfs/dbraw/zinc/52/34/47/823523447.db2.gz WYWROBFVGFGDGC-UHFFFAOYSA-N 1 0 390.568 4.457 20 0 GIADRO C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000033221133 821050702 /nfs/dbraw/zinc/05/07/02/821050702.db2.gz PWTYVYWXSLMSNS-CYBMUJFWSA-N 1 0 381.303 4.139 20 0 GIADRO CCOc1ccc(NC(=O)N2[C@@H]3CC[C@H]2C[N@H+](CC)CC3)c(C(F)(F)F)c1 ZINC000177805100 823528092 /nfs/dbraw/zinc/52/80/92/823528092.db2.gz IGFQSDRABYQGSW-KGLIPLIRSA-N 1 0 385.430 4.195 20 0 GIADRO COc1ccc2[nH]cc(C3=CC[N@H+](C[C@@H]4COc5ccccc5O4)CC3)c2c1 ZINC000034228853 821061437 /nfs/dbraw/zinc/06/14/37/821061437.db2.gz YTMFSCPZDRAIJH-GOSISDBHSA-N 1 0 376.456 4.106 20 0 GIADRO CCS[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000190032945 823528537 /nfs/dbraw/zinc/52/85/37/823528537.db2.gz GFJTXLONSBSJTG-HZUKXOBISA-N 1 0 385.917 4.229 20 0 GIADRO CCS[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000190032976 823528704 /nfs/dbraw/zinc/52/87/04/823528704.db2.gz GFJTXLONSBSJTG-SGIREYDYSA-N 1 0 385.917 4.229 20 0 GIADRO Cc1ncc([C@@H](C)[NH2+]C[C@@H](O)c2cccc(OCc3ccccc3)c2)c(C)n1 ZINC000123647846 823529080 /nfs/dbraw/zinc/52/90/80/823529080.db2.gz NMQOWEGKLHCRRH-WAIKUNEKSA-N 1 0 377.488 4.057 20 0 GIADRO COc1cc(C[NH2+][C@@H](C)c2ccc(Br)cc2OC)cc(OC)c1 ZINC000190445400 823575330 /nfs/dbraw/zinc/57/53/30/823575330.db2.gz FZDVZPXWCNVYNC-LBPRGKRZSA-N 1 0 380.282 4.326 20 0 GIADRO COc1ccccc1-c1nc(C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)cs1 ZINC000060454145 823529346 /nfs/dbraw/zinc/52/93/46/823529346.db2.gz MFXNIZHPSJOWQD-YCRPNKLZSA-N 1 0 387.549 4.059 20 0 GIADRO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1COc1ccccc1 ZINC000036668101 821075285 /nfs/dbraw/zinc/07/52/85/821075285.db2.gz SQLFMEMOHKUGBL-QFIPXVFZSA-N 1 0 386.495 4.270 20 0 GIADRO C[C@@H]1CCN(C(=O)c2cc3ccccc3cc2OC(F)F)C[C@@H]1n1ccnc1 ZINC000123668712 823530188 /nfs/dbraw/zinc/53/01/88/823530188.db2.gz GXPAIYYLDYNPAW-KDOFPFPSSA-N 1 0 385.414 4.361 20 0 GIADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)CSc2ccc3ccccc3c2)o1 ZINC000060407302 823524266 /nfs/dbraw/zinc/52/42/66/823524266.db2.gz KHSOVAOSRVCFEW-UHFFFAOYSA-N 1 0 382.529 4.424 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(OC(F)F)c(OC)c1)c1ccccc1 ZINC000036703180 821077723 /nfs/dbraw/zinc/07/77/23/821077723.db2.gz BIKKMITYGDZWAT-QGZVFWFLSA-N 1 0 392.446 4.110 20 0 GIADRO CC[C@H](C)c1ccccc1OCC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000036714552 821078105 /nfs/dbraw/zinc/07/81/05/821078105.db2.gz BOGZRFIQXQIRLK-SFHVURJKSA-N 1 0 395.547 4.278 20 0 GIADRO CC(C)(C)OC(=O)N1CCC(C)([NH2+]Cc2csc(-c3ccccn3)n2)CC1 ZINC000190004424 823524541 /nfs/dbraw/zinc/52/45/41/823524541.db2.gz UQEYFGJIFLUPHG-UHFFFAOYSA-N 1 0 388.537 4.084 20 0 GIADRO COc1ccc(OC)c(C[N@H+](CCC(=O)Nc2cccc(Cl)c2)C2CC2)c1 ZINC000036744884 821080694 /nfs/dbraw/zinc/08/06/94/821080694.db2.gz UFTQMNKZPFBJTH-UHFFFAOYSA-N 1 0 388.895 4.350 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccccc1COc1ccccc1 ZINC000177785872 823525982 /nfs/dbraw/zinc/52/59/82/823525982.db2.gz AVBGWTLTVCFOTG-UXHICEINSA-N 1 0 379.504 4.356 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)COc2ccc3oc4c(c3c2)CCCC4)CC1 ZINC000039563799 821115901 /nfs/dbraw/zinc/11/59/01/821115901.db2.gz DGINTLYZVIOYKS-UHFFFAOYSA-N 1 0 398.547 4.269 20 0 GIADRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]C[C@H](O)COc3ccccc3)s2)cc1 ZINC000177798083 823527304 /nfs/dbraw/zinc/52/73/04/823527304.db2.gz SBLASCAEPSIWSR-YJBOKZPZSA-N 1 0 398.528 4.218 20 0 GIADRO Cc1cc(C)c(Br)c(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)c1 ZINC000460861310 823530958 /nfs/dbraw/zinc/53/09/58/823530958.db2.gz SRMCTSYRYDFFFU-KRWDZBQOSA-N 1 0 393.300 4.238 20 0 GIADRO c1csc(-c2nn(-c3ccccc3)cc2C[NH2+]CCCOC[C@@H]2CCOC2)c1 ZINC000123679139 823531019 /nfs/dbraw/zinc/53/10/19/823531019.db2.gz JHNISFGVXAWHEN-SFHVURJKSA-N 1 0 397.544 4.134 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)N[C@@H](C)CCc3ccccc3)c(C)c2)CC1 ZINC000040103857 821136933 /nfs/dbraw/zinc/13/69/33/821136933.db2.gz TWFZJVZAJIIIFK-FQEVSTJZSA-N 1 0 394.563 4.280 20 0 GIADRO COc1cc(CN(C)C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)ccc1SC ZINC000060469807 823531792 /nfs/dbraw/zinc/53/17/92/823531792.db2.gz ASKAWJKRQNPIBV-FQEVSTJZSA-N 1 0 398.572 4.288 20 0 GIADRO COc1ccc(SCC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000060475064 823532153 /nfs/dbraw/zinc/53/21/53/823532153.db2.gz NLDVNAKTTHUIDL-GOSISDBHSA-N 1 0 398.572 4.336 20 0 GIADRO COc1ccccc1C[C@@H]([NH2+]Cc1ccc(C(=O)N2CCCC2)cc1)C(C)C ZINC000177846920 823535565 /nfs/dbraw/zinc/53/55/65/823535565.db2.gz VGCYWTMJMWLIKG-JOCHJYFZSA-N 1 0 380.532 4.288 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1cccc(OC(F)(F)F)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000177828256 823532244 /nfs/dbraw/zinc/53/22/44/823532244.db2.gz KMMIHCMAPDIMEE-CHWSQXEVSA-N 1 0 387.423 4.401 20 0 GIADRO CCOc1ccc(C(=O)N2CCC([NH2+][C@@H](C)c3ccccc3OC)CC2)cc1 ZINC000177829040 823532432 /nfs/dbraw/zinc/53/24/32/823532432.db2.gz CQOHFKGRXOYIJH-KRWDZBQOSA-N 1 0 382.504 4.049 20 0 GIADRO COc1cc(NC(=O)CC[N@@H+]2C[C@@H](C)[C@H]2c2ccccc2)c(OC)cc1Cl ZINC000177830560 823532680 /nfs/dbraw/zinc/53/26/80/823532680.db2.gz GTPWRUDNKCQNGV-SZNDQCEHSA-N 1 0 388.895 4.379 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)CCCOc1ccccc1)[NH+]1CCCCC1 ZINC000040615260 821162574 /nfs/dbraw/zinc/16/25/74/821162574.db2.gz VWNRFYPNTAUAOJ-QFIPXVFZSA-N 1 0 396.531 4.198 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)[C@@H](C)Cc1ccc(F)cc1)[NH+]1CCCCC1 ZINC000040654333 821163329 /nfs/dbraw/zinc/16/33/29/821163329.db2.gz NGRHZKSFSOLFIL-PGRDOPGGSA-N 1 0 398.522 4.356 20 0 GIADRO COc1ccc(C(=O)CCCC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000040653915 821163413 /nfs/dbraw/zinc/16/34/13/821163413.db2.gz DUMWFFSWWVCLFP-QFIPXVFZSA-N 1 0 394.515 4.002 20 0 GIADRO CN(C)C(=O)COc1ccccc1C[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000123730219 823535655 /nfs/dbraw/zinc/53/56/55/823535655.db2.gz NPCSRGURXZJEMA-UHFFFAOYSA-N 1 0 391.515 4.015 20 0 GIADRO O=C(N[C@@H]1CCCc2sccc21)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000460883570 823535762 /nfs/dbraw/zinc/53/57/62/823535762.db2.gz NZWWGJKLJBMZAR-IRFCIJBXSA-N 1 0 395.572 4.289 20 0 GIADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1cccc2ccn(C)c21 ZINC000190076597 823534598 /nfs/dbraw/zinc/53/45/98/823534598.db2.gz ABDKQPCJXLQHJF-HXUWFJFHSA-N 1 0 391.519 4.092 20 0 GIADRO CCC[N@@H+](CC(=O)Nc1ccc(C(=O)N(CC)CC)cc1)CC1CCCCC1 ZINC000060495691 823534675 /nfs/dbraw/zinc/53/46/75/823534675.db2.gz VMSBNLOKWSBBTF-UHFFFAOYSA-N 1 0 387.568 4.399 20 0 GIADRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000177842419 823534985 /nfs/dbraw/zinc/53/49/85/823534985.db2.gz WQBVSARJLBALBX-FZMZJTMJSA-N 1 0 379.888 4.418 20 0 GIADRO CCCN(CC[NH+]1CCCCCC1)C(=O)NCc1nc2ccccc2n1C1CC1 ZINC000460880866 823535270 /nfs/dbraw/zinc/53/52/70/823535270.db2.gz HULCEWTYYBPMLC-UHFFFAOYSA-N 1 0 397.567 4.169 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)N1CCCc2occc2C1)c1cccc(C(F)(F)F)c1 ZINC000460886996 823536137 /nfs/dbraw/zinc/53/61/37/823536137.db2.gz XKQJCFDSBJTRRH-KRWDZBQOSA-N 1 0 395.425 4.059 20 0 GIADRO Cc1c(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)oc2c1C(=O)CCC2 ZINC000041687715 821216852 /nfs/dbraw/zinc/21/68/52/821216852.db2.gz BWAQDGVPWUMOKB-UHFFFAOYSA-N 1 0 380.488 4.023 20 0 GIADRO CCOc1ccc([C@@H](NC(=O)N2CC[C@@H](C[N@H+](C)CC)C2)c2ccccc2)cc1 ZINC000177857014 823537171 /nfs/dbraw/zinc/53/71/71/823537171.db2.gz IKKBAMZTMUBYKV-CVDCTZTESA-N 1 0 395.547 4.158 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=S)Nc1ccc(NC(C)=O)cc1)c1ccccc1 ZINC000041726726 821219550 /nfs/dbraw/zinc/21/95/50/821219550.db2.gz AUHDVIBZGIFGGE-FQEVSTJZSA-N 1 0 384.549 4.015 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccc(C(F)(F)F)[nH]c3=O)cc2)C1 ZINC000060548861 823541029 /nfs/dbraw/zinc/54/10/29/823541029.db2.gz ACBXFCAOHOKYBD-CYBMUJFWSA-N 1 0 393.409 4.290 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Cc1sc(=S)[nH]c1C)c1ccccc1Cl ZINC000041800015 821231667 /nfs/dbraw/zinc/23/16/67/821231667.db2.gz YTMFNAXEXOMOKW-HNNXBMFYSA-N 1 0 397.997 4.135 20 0 GIADRO CC[C@H](Cc1ccccc1Br)C(=O)NC(C)(C)CCC[NH+](C)C ZINC000411051811 823538031 /nfs/dbraw/zinc/53/80/31/823538031.db2.gz UVHGNRIHAAVSAO-OAHLLOKOSA-N 1 0 383.374 4.254 20 0 GIADRO Cc1c(Br)cccc1CC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000190108380 823538093 /nfs/dbraw/zinc/53/80/93/823538093.db2.gz XBHHYQJOCVOGNG-DOTOQJQBSA-N 1 0 393.369 4.069 20 0 GIADRO CCOC1CC[NH+](C[C@@H](O)COc2ccc(C(C)(C)c3ccccc3)cc2)CC1 ZINC000060523160 823538157 /nfs/dbraw/zinc/53/81/57/823538157.db2.gz OFWADAGZVVZZJG-JOCHJYFZSA-N 1 0 397.559 4.253 20 0 GIADRO CCOC(=O)N1CCC([NH2+]Cc2ccc(N(CC)Cc3ccccc3)cc2)CC1 ZINC000060523779 823538318 /nfs/dbraw/zinc/53/83/18/823538318.db2.gz DYPURXJSTYBAAP-UHFFFAOYSA-N 1 0 395.547 4.424 20 0 GIADRO CO[C@H](C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccccc1 ZINC000060528382 823538731 /nfs/dbraw/zinc/53/87/31/823538731.db2.gz LUVMRECULOFGGL-XMMPIXPASA-N 1 0 398.510 4.471 20 0 GIADRO COc1ccc(C[NH2+]C[C@@H](O)c2ccccc2Cl)cc1OCc1cccnc1 ZINC000123791669 823541164 /nfs/dbraw/zinc/54/11/64/823541164.db2.gz YVAGKHQIEBUVPA-HXUWFJFHSA-N 1 0 398.890 4.146 20 0 GIADRO CC(C)Sc1ccccc1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000041967912 821249700 /nfs/dbraw/zinc/24/97/00/821249700.db2.gz YRWPWXWZSJOPKT-UHFFFAOYSA-N 1 0 378.607 4.279 20 0 GIADRO CCOc1ccccc1[C@H](CC(C)C)NC(=O)N1CC[C@H](C[N@H+](C)CC)C1 ZINC000177885959 823541265 /nfs/dbraw/zinc/54/12/65/823541265.db2.gz WSEKDMXXFYYGSW-QUCCMNQESA-N 1 0 375.557 4.156 20 0 GIADRO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]C1CCN(C(=O)c2ccncc2)CC1 ZINC000177885325 823541326 /nfs/dbraw/zinc/54/13/26/823541326.db2.gz IJHQCVCFQOLNKX-CVEARBPZSA-N 1 0 394.544 4.078 20 0 GIADRO C[C@H](Cc1ccc(Br)cc1)[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000177885803 823541335 /nfs/dbraw/zinc/54/13/35/823541335.db2.gz UISWVCFDTIAMGM-MRXNPFEDSA-N 1 0 388.353 4.029 20 0 GIADRO Cc1nc(CCNC(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)sc1C ZINC000177879093 823540240 /nfs/dbraw/zinc/54/02/40/823540240.db2.gz ZLICTWIAWACMFA-UHFFFAOYSA-N 1 0 393.556 4.364 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](CC(C)C)c2cc(Cl)ccc2OC)C1 ZINC000177880505 823540374 /nfs/dbraw/zinc/54/03/74/823540374.db2.gz HBWQSZYBHAPPAX-LPHOPBHVSA-N 1 0 395.975 4.419 20 0 GIADRO C[C@@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000042132496 821271928 /nfs/dbraw/zinc/27/19/28/821271928.db2.gz YPBHSRGOQJLSEZ-RDJZCZTQSA-N 1 0 395.528 4.042 20 0 GIADRO CC(C)c1ccccc1NC(=O)[C@H](C)[NH2+]CC1(N2CCSCC2)CCCC1 ZINC000042183554 821280062 /nfs/dbraw/zinc/28/00/62/821280062.db2.gz FASJUKIGGGNQQM-SFHVURJKSA-N 1 0 389.609 4.088 20 0 GIADRO COc1ccc([C@H](O)C[NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)cc1 ZINC000042202282 821282743 /nfs/dbraw/zinc/28/27/43/821282743.db2.gz AYGBCWAOTGNMAU-OAQYLSRUSA-N 1 0 398.890 4.146 20 0 GIADRO COc1ccc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cn1 ZINC000042202909 821283416 /nfs/dbraw/zinc/28/34/16/821283416.db2.gz ZYMRJWSXYBRSHF-UHFFFAOYSA-N 1 0 388.446 4.372 20 0 GIADRO COc1cc(C[NH2+][C@@H](C)c2ccc3c(c2)OCO3)ccc1OCc1ccncc1 ZINC000042202985 821283560 /nfs/dbraw/zinc/28/35/60/821283560.db2.gz GARKCGLNCDLJAL-INIZCTEOSA-N 1 0 392.455 4.249 20 0 GIADRO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)C[N@H+](C)C1CCCC1 ZINC000042541149 821310180 /nfs/dbraw/zinc/31/01/80/821310180.db2.gz FMRFZAWTHZIFAU-GOSISDBHSA-N 1 0 393.531 4.333 20 0 GIADRO O[C@@H](c1ccccc1)C1CC[NH+](C[C@H](O)COc2cccc3ccccc32)CC1 ZINC000042634968 821316702 /nfs/dbraw/zinc/31/67/02/821316702.db2.gz HFJKUHYEAZSHCI-DHLKQENFSA-N 1 0 391.511 4.025 20 0 GIADRO CN(C)C(=O)[C@H](c1ccccc1)[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000042742529 821329918 /nfs/dbraw/zinc/32/99/18/821329918.db2.gz SJMQAIFQFYVHGI-FQEVSTJZSA-N 1 0 397.906 4.490 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]Cc2cccc3c2OCCO3)cc1Br ZINC000042797686 821333714 /nfs/dbraw/zinc/33/37/14/821333714.db2.gz ZWQFFQQCWZCWBW-GFCCVEGCSA-N 1 0 378.266 4.080 20 0 GIADRO CCCc1nc(C)c(C(=O)Nc2cc(Cl)ccc2N2CC[NH+](C)CC2)s1 ZINC000042826744 821336343 /nfs/dbraw/zinc/33/63/43/821336343.db2.gz NKLLHXDWMKYBGH-UHFFFAOYSA-N 1 0 392.956 4.062 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)CSc1ccc(F)c(F)c1 ZINC000043086408 821359242 /nfs/dbraw/zinc/35/92/42/821359242.db2.gz ZZBNQTUODNDDIB-UHFFFAOYSA-N 1 0 378.488 4.214 20 0 GIADRO CC(C)[C@H](NC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)c1nc2ccccc2[nH]1 ZINC000043107326 821361978 /nfs/dbraw/zinc/36/19/78/821361978.db2.gz ZDALQJZIDXGONH-PMACEKPBSA-N 1 0 397.498 4.001 20 0 GIADRO CC(C)[C@@H](NC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)c1nc2ccccc2[nH]1 ZINC000043107341 821362389 /nfs/dbraw/zinc/36/23/89/821362389.db2.gz ZDALQJZIDXGONH-WOJBJXKFSA-N 1 0 397.498 4.001 20 0 GIADRO CC(C)[NH+]1CCC(N(C)C(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)CC1 ZINC000043116102 821363013 /nfs/dbraw/zinc/36/30/13/821363013.db2.gz ODEYTKWKZVQKRS-UHFFFAOYSA-N 1 0 389.927 4.259 20 0 GIADRO COc1ccc(F)cc1[C@H](C)NC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000043136007 821365934 /nfs/dbraw/zinc/36/59/34/821365934.db2.gz PCSJYWZQUZCNQE-MAUKXSAKSA-N 1 0 389.471 4.015 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)N1CCC[C@H](c2nc3ccccc3o2)C1)c1cccs1 ZINC000043143600 821367616 /nfs/dbraw/zinc/36/76/16/821367616.db2.gz MZBLXTTVUHKLGZ-RDJZCZTQSA-N 1 0 398.532 4.081 20 0 GIADRO CCN(C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@@H](C)c1cccc(OC)c1 ZINC000043167242 821371558 /nfs/dbraw/zinc/37/15/58/821371558.db2.gz HMRNGZATDDGEOG-PXNSSMCTSA-N 1 0 385.508 4.218 20 0 GIADRO CCN(Cc1cccc(Cl)c1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000043167325 821372465 /nfs/dbraw/zinc/37/24/65/821372465.db2.gz YCPRTCFNGDUBCG-SFHVURJKSA-N 1 0 375.900 4.302 20 0 GIADRO CC(C)[NH+]1CCC(NC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)CC1 ZINC000043168262 821372800 /nfs/dbraw/zinc/37/28/00/821372800.db2.gz UGHYWKCEKQTAJI-HSZRJFAPSA-N 1 0 377.532 4.217 20 0 GIADRO Cn1cc([C@@H](NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c2cccc(F)c2)cn1 ZINC000180629356 821375171 /nfs/dbraw/zinc/37/51/71/821375171.db2.gz NFILNNRHIIEBBO-WTNAPCKOSA-N 1 0 398.551 4.383 20 0 GIADRO CCC(CC)[C@@H]1C[C@H](NC(=O)NCc2ccccc2C[N@H+](C)C(C)C)CCO1 ZINC000180631066 821375460 /nfs/dbraw/zinc/37/54/60/821375460.db2.gz SMOVABGXQXXTGO-YADHBBJMSA-N 1 0 389.584 4.310 20 0 GIADRO Cc1ccc([C@@H](NC(=O)N2CCC([NH+]3CCCC3)CC2)c2ccccc2)cc1 ZINC000043228435 821377303 /nfs/dbraw/zinc/37/73/03/821377303.db2.gz FQXDJYPLHFCHOB-QHCPKHFHSA-N 1 0 377.532 4.354 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)N[C@H](C)c1nc2ccccc2[nH]1)c1ccccc1 ZINC000043230916 821377617 /nfs/dbraw/zinc/37/76/17/821377617.db2.gz HNEUNJZOVQRVGN-OXQOHEQNSA-N 1 0 379.508 4.006 20 0 GIADRO CN(Cc1ccc(F)c(F)c1)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000043231249 821377899 /nfs/dbraw/zinc/37/78/99/821377899.db2.gz UTJCCFTYKPNPQH-KRWDZBQOSA-N 1 0 379.476 4.005 20 0 GIADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N(Cc1ccco1)Cc1ccco1 ZINC000043231951 821378314 /nfs/dbraw/zinc/37/83/14/821378314.db2.gz RBHSYRYCKKEEMO-LJQANCHMSA-N 1 0 399.516 4.483 20 0 GIADRO CCc1ccc2c(C[NH2+][C@@H](CC)c3ccc4c(c3)OCCO4)cc(=O)oc2c1 ZINC000180640651 821379005 /nfs/dbraw/zinc/37/90/05/821379005.db2.gz IXHRVBKMELXMIS-IBGZPJMESA-N 1 0 379.456 4.368 20 0 GIADRO CC[C@H]([NH2+]Cc1cccc(SC(=O)N(C)C)c1)c1ccc2c(c1)OCCO2 ZINC000180640278 821379034 /nfs/dbraw/zinc/37/90/34/821379034.db2.gz OTDMMLGDXRSEGT-SFHVURJKSA-N 1 0 386.517 4.472 20 0 GIADRO Cn1ccnc1[C@H](O)[C@H]1CCC[N@H+](Cc2ccc(-c3ccc(F)cc3)s2)C1 ZINC000180647655 821381370 /nfs/dbraw/zinc/38/13/70/821381370.db2.gz QEOFUERTAUDDJF-OXJNMPFZSA-N 1 0 385.508 4.233 20 0 GIADRO CC[C@@H](CSC)[N@H+](C)Cc1nc(-c2cc(Br)cs2)no1 ZINC000180658298 821385691 /nfs/dbraw/zinc/38/56/91/821385691.db2.gz DCMDOUUGSBUBGQ-JTQLQIEISA-N 1 0 376.345 4.134 20 0 GIADRO Cc1ccc(F)cc1NC(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000043277306 821385930 /nfs/dbraw/zinc/38/59/30/821385930.db2.gz URNSHUUKVWAZLT-IAGOWNOFSA-N 1 0 385.483 4.065 20 0 GIADRO CC[NH+]1CCC(n2nccc2NC(=O)CC2CCC(C(F)(F)F)CC2)CC1 ZINC000180665601 821387918 /nfs/dbraw/zinc/38/79/18/821387918.db2.gz LVHLQLJUSPGNSF-UHFFFAOYSA-N 1 0 386.462 4.237 20 0 GIADRO COc1cccc([C@H](CNC(=O)N(Cc2cccs2)C2CC2)[NH+]2CCCC2)c1 ZINC000043306974 821389183 /nfs/dbraw/zinc/38/91/83/821389183.db2.gz ZPRSNYJHRMWRKV-NRFANRHFSA-N 1 0 399.560 4.268 20 0 GIADRO COc1cccc([C@@H](CNC(=O)N(Cc2cccs2)C2CC2)[NH+]2CCCC2)c1 ZINC000043306973 821389337 /nfs/dbraw/zinc/38/93/37/821389337.db2.gz ZPRSNYJHRMWRKV-OAQYLSRUSA-N 1 0 399.560 4.268 20 0 GIADRO Cc1ccc(NC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c(Br)c1 ZINC000043328280 821392083 /nfs/dbraw/zinc/39/20/83/821392083.db2.gz TVKCAANAFQVTPF-HNNXBMFYSA-N 1 0 382.327 4.243 20 0 GIADRO Clc1ccccc1C1(C[NH2+]C2CCN(Cc3ccccn3)CC2)CCOCC1 ZINC000180677716 821392668 /nfs/dbraw/zinc/39/26/68/821392668.db2.gz RVVMSCYESIUPNC-UHFFFAOYSA-N 1 0 399.966 4.037 20 0 GIADRO CCOc1cccc([C@H](C)[NH2+][C@H](C)C(=O)N(C)Cc2nc3ccccc3s2)c1 ZINC000180680400 821393493 /nfs/dbraw/zinc/39/34/93/821393493.db2.gz TZNZSSJQQHPESP-JKSUJKDBSA-N 1 0 397.544 4.393 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1)c1cccc(N2CCCC2=O)c1 ZINC000180691015 821396894 /nfs/dbraw/zinc/39/68/94/821396894.db2.gz PTFWBUVCCQUFKL-AUUYWEPGSA-N 1 0 392.421 4.216 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1)CCCO2 ZINC000180692325 821397814 /nfs/dbraw/zinc/39/78/14/821397814.db2.gz JPJWJYCXNWGKTA-QZTJIDSGSA-N 1 0 381.394 4.251 20 0 GIADRO CCOc1cccc([C@@H](C)[NH2+]CC(=O)Nc2c(C)nn(-c3ccccc3)c2C)c1 ZINC000180696479 821400020 /nfs/dbraw/zinc/40/00/20/821400020.db2.gz KOFQELGYTPYTFQ-MRXNPFEDSA-N 1 0 392.503 4.177 20 0 GIADRO CCOc1cccc([C@H](C)[NH2+]CC(=O)Nc2cc(Cl)c(OC)cc2OC)c1 ZINC000180696825 821400189 /nfs/dbraw/zinc/40/01/89/821400189.db2.gz IKHIDLJUZUMXPA-ZDUSSCGKSA-N 1 0 392.883 4.045 20 0 GIADRO CCc1ccccc1NC(=O)NCCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000043402204 821401775 /nfs/dbraw/zinc/40/17/75/821401775.db2.gz QMEWXFVPSHZPCE-UHFFFAOYSA-N 1 0 394.563 4.281 20 0 GIADRO CCCOc1ccc(NC(=O)NC2CC[NH+](C3CC3)CC2)cc1OCCC ZINC000043415878 821404634 /nfs/dbraw/zinc/40/46/34/821404634.db2.gz KWYBKJQMPVOUFW-UHFFFAOYSA-N 1 0 375.513 4.013 20 0 GIADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N(C)Cc2cccs2)CC1 ZINC000043454592 821409919 /nfs/dbraw/zinc/40/99/19/821409919.db2.gz PRAUUMCAPYKABZ-UHFFFAOYSA-N 1 0 392.956 4.207 20 0 GIADRO O=C(NCC(c1ccccc1)c1ccccc1)N1CCC([NH+]2CCCC2)CC1 ZINC000043476141 821412188 /nfs/dbraw/zinc/41/21/88/821412188.db2.gz BHVYVBLWSXVOLN-UHFFFAOYSA-N 1 0 377.532 4.088 20 0 GIADRO 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 821414920 /nfs/dbraw/zinc/41/49/20/821414920.db2.gz KVVBRKKGASOYKL-DOPJRALCSA-N 1 0 383.458 4.281 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000043490623 821415850 /nfs/dbraw/zinc/41/58/50/821415850.db2.gz HWQBUEQUVIUQSM-JOCHJYFZSA-N 1 0 396.510 4.255 20 0 GIADRO CCOc1cccc([C@@H](C)[NH2+]CC(=O)N[C@H](c2nccs2)c2ccccc2)c1 ZINC000180718708 821416391 /nfs/dbraw/zinc/41/63/91/821416391.db2.gz GUDAZUJTBNMJPP-IERDGZPVSA-N 1 0 395.528 4.098 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CCC[C@@H]1c1cccs1 ZINC000043491051 821416492 /nfs/dbraw/zinc/41/64/92/821416492.db2.gz DEPCFOBENBFCRS-LJQANCHMSA-N 1 0 384.549 4.177 20 0 GIADRO Cc1cc(N2CCCC2)ccc1NC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000043496778 821418274 /nfs/dbraw/zinc/41/82/74/821418274.db2.gz HNVOTDRIAYKMLS-NRFANRHFSA-N 1 0 384.499 4.159 20 0 GIADRO COc1ccc([C@@H](CNC(=O)Nc2cccc3cccnc32)[NH+]2CCCC2)cc1 ZINC000043529628 821423341 /nfs/dbraw/zinc/42/33/41/821423341.db2.gz IEQIYSBJRZUUSY-OAQYLSRUSA-N 1 0 390.487 4.202 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)NC[C@H]2CCCc3ccccc32)CC1 ZINC000043574514 821428659 /nfs/dbraw/zinc/42/86/59/821428659.db2.gz FLUXBPMMHXSSPZ-HXUWFJFHSA-N 1 0 392.547 4.070 20 0 GIADRO CCC[C@H](NC(=O)Nc1ccccc1N1CC[NH+](CC)CC1)c1ccccc1 ZINC000043574926 821429296 /nfs/dbraw/zinc/42/92/96/821429296.db2.gz YUBWYXDDNAWSKM-FQEVSTJZSA-N 1 0 380.536 4.491 20 0 GIADRO CS(=O)(=O)c1cccc([C@H]([NH2+]C[C@@H]2CCCS2)c2ccc(Cl)cc2)c1 ZINC000180753090 821434713 /nfs/dbraw/zinc/43/47/13/821434713.db2.gz LUJWNFFWQZIFRN-PKOBYXMFSA-N 1 0 395.977 4.318 20 0 GIADRO COc1ccc([C@H](CNC(=O)N(Cc2ccccc2)C2CC2)[NH+]2CCCC2)cc1 ZINC000043644170 821435157 /nfs/dbraw/zinc/43/51/57/821435157.db2.gz VFWOLOQHRXAYNH-QHCPKHFHSA-N 1 0 393.531 4.206 20 0 GIADRO C[C@@H]([NH2+]CCCC(=O)N1Cc2ccccc2C1)c1ccccc1Br ZINC000180754285 821436072 /nfs/dbraw/zinc/43/60/72/821436072.db2.gz VNNXCJVFJQNMSU-OAHLLOKOSA-N 1 0 387.321 4.422 20 0 GIADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000043656145 821437284 /nfs/dbraw/zinc/43/72/84/821437284.db2.gz QSVVEHUXYXXZSG-UHFFFAOYSA-N 1 0 388.537 4.082 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)c2cn(C)nc2-c2ccccc2)CC1 ZINC000180757931 821437421 /nfs/dbraw/zinc/43/74/21/821437421.db2.gz AWCQQDWIPQTEAB-UHFFFAOYSA-N 1 0 382.552 4.061 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)c2cccc(NC(=O)[C@H]3C[C@H]3C)c2)CC1 ZINC000180758094 821438108 /nfs/dbraw/zinc/43/81/08/821438108.db2.gz NPXLQZJFWAFZAF-GCJKJVERSA-N 1 0 399.579 4.255 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)CC1 ZINC000180759315 821438821 /nfs/dbraw/zinc/43/88/21/821438821.db2.gz QLRHNCDGTXYPQJ-UHFFFAOYSA-N 1 0 395.547 4.220 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1ccccc1OCc1ccccc1 ZINC000180764485 821441781 /nfs/dbraw/zinc/44/17/81/821441781.db2.gz IZLVTXSUOMQBGP-QAPCUYQASA-N 1 0 392.421 4.079 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)CCc1ccc(Cl)cc1Cl)c1cccc(F)c1 ZINC000043729293 821448261 /nfs/dbraw/zinc/44/82/61/821448261.db2.gz ZQROXFZUUSCWMP-SFHVURJKSA-N 1 0 383.294 4.484 20 0 GIADRO CCN(CC)c1ncc(C[N@@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)s1 ZINC000180796306 821463508 /nfs/dbraw/zinc/46/35/08/821463508.db2.gz CBUQVRDDSCGJDU-ZDUSSCGKSA-N 1 0 387.475 4.042 20 0 GIADRO Cn1cc(C[N@@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c(-c2cccs2)n1 ZINC000180799876 821465425 /nfs/dbraw/zinc/46/54/25/821465425.db2.gz HGLOFCZTQQXLIR-CQSZACIVSA-N 1 0 395.454 4.201 20 0 GIADRO FC(F)(F)c1ccn([C@H]2CCC[N@H+](Cc3c[nH]nc3-c3ccccc3)C2)n1 ZINC000180801473 821466082 /nfs/dbraw/zinc/46/60/82/821466082.db2.gz FQYOLSQYBYCPDM-INIZCTEOSA-N 1 0 375.398 4.129 20 0 GIADRO CC(C)(C)S(=O)(=O)CC[NH2+][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000180805225 821468168 /nfs/dbraw/zinc/46/81/68/821468168.db2.gz UJXMCDGTWXXECT-OAHLLOKOSA-N 1 0 396.553 4.130 20 0 GIADRO C[C@@H]([NH2+]CCS(=O)(=O)C(C)(C)C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000180806229 821468753 /nfs/dbraw/zinc/46/87/53/821468753.db2.gz JJGGVRKMXHRTKE-MRXNPFEDSA-N 1 0 393.524 4.269 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)cc1 ZINC000043850653 821471367 /nfs/dbraw/zinc/47/13/67/821471367.db2.gz CZRVHCBBJHLKSP-UHFFFAOYSA-N 1 0 389.503 4.133 20 0 GIADRO CO[C@@H](C[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)c1cccc(Cl)c1 ZINC000180813453 821474198 /nfs/dbraw/zinc/47/41/98/821474198.db2.gz NEHCRHPJIIWGFT-ABHNRTSZSA-N 1 0 382.932 4.453 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)NCc1cccc(COCc2ccco2)c1 ZINC000043860276 821474829 /nfs/dbraw/zinc/47/48/29/821474829.db2.gz LDODFKJOTMTCPJ-IBGZPJMESA-N 1 0 399.535 4.060 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(SC(=O)N(C)C)cc1)c1ccc(-n2cccn2)cc1 ZINC000180822009 821480807 /nfs/dbraw/zinc/48/08/07/821480807.db2.gz NHCHKYCJIINGDE-MRXNPFEDSA-N 1 0 380.517 4.497 20 0 GIADRO Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@H](C)c1cccnc1Cl ZINC000180829437 821484704 /nfs/dbraw/zinc/48/47/04/821484704.db2.gz RSLYSURFITUDRC-GFCCVEGCSA-N 1 0 396.716 4.485 20 0 GIADRO COc1ccccc1Oc1ccc(NC(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000043900184 821485885 /nfs/dbraw/zinc/48/58/85/821485885.db2.gz FAFWRTYAODSOFT-UHFFFAOYSA-N 1 0 381.476 4.236 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1)c1ccc(-n2cccn2)cc1 ZINC000180838125 821488509 /nfs/dbraw/zinc/48/85/09/821488509.db2.gz UHPBZSLMPZLSQQ-HZPDHXFCSA-N 1 0 398.457 4.021 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1Cl)c1ccc(-n2cccn2)cc1 ZINC000180844031 821490765 /nfs/dbraw/zinc/49/07/65/821490765.db2.gz VNJACQACNZYQJP-CYBMUJFWSA-N 1 0 389.286 4.468 20 0 GIADRO O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)NC1CC[NH+](C2CC2)CC1 ZINC000043932135 821490990 /nfs/dbraw/zinc/49/09/90/821490990.db2.gz JBFNJFXJMDZOQE-UHFFFAOYSA-N 1 0 376.460 4.243 20 0 GIADRO CC[C@@H]1c2ccsc2CCN1C(=O)C[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000180846546 821492025 /nfs/dbraw/zinc/49/20/25/821492025.db2.gz UPGWBPHUFFHKLU-OXJNMPFZSA-N 1 0 394.544 4.120 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@H](C)c1ccc2c(c1)OCO2 ZINC000043993312 821498757 /nfs/dbraw/zinc/49/87/57/821498757.db2.gz MDYKUWLTEPKUHX-MRXNPFEDSA-N 1 0 399.491 4.019 20 0 GIADRO CC[NH+]1CCC(NC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)CC1 ZINC000044020087 821504763 /nfs/dbraw/zinc/50/47/63/821504763.db2.gz UUDDCDVLTAEFGY-UHFFFAOYSA-N 1 0 375.472 4.223 20 0 GIADRO CC(C)CC(=O)Nc1ccc(NC(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc1 ZINC000044031285 821507942 /nfs/dbraw/zinc/50/79/42/821507942.db2.gz QFBMHUVFCZQVRV-GOSISDBHSA-N 1 0 388.537 4.157 20 0 GIADRO COc1ccc([C@H](NCC2([NH+]3CCCCC3)CCOCC2)c2ccccc2)cc1 ZINC000180879743 821509980 /nfs/dbraw/zinc/50/99/80/821509980.db2.gz RZYZSGOOQXPZQK-XMMPIXPASA-N 1 0 394.559 4.409 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=S)N[C@H](C)c3ccccc3)c(C)c2)CC1 ZINC000044055595 821513241 /nfs/dbraw/zinc/51/32/41/821513241.db2.gz MNPCTTBBQUFMFN-GOSISDBHSA-N 1 0 382.577 4.185 20 0 GIADRO C[C@H]([NH2+]CC(=O)NCc1ccc(Cl)cc1)c1ccc(-c2ccncc2)cc1 ZINC000180886284 821513707 /nfs/dbraw/zinc/51/37/07/821513707.db2.gz SQCHBWOXWXJQSO-INIZCTEOSA-N 1 0 379.891 4.369 20 0 GIADRO CC[NH+]1CCN(CCCNC(=S)Nc2c(C(C)C)cccc2C(C)C)CC1 ZINC000044076390 821516306 /nfs/dbraw/zinc/51/63/06/821516306.db2.gz FCKCGIDSBMITLO-UHFFFAOYSA-N 1 0 390.641 4.247 20 0 GIADRO Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)NCC1CC[NH+](C)CC1 ZINC000180891417 821518611 /nfs/dbraw/zinc/51/86/11/821518611.db2.gz JGZZFMFZHBWZTQ-UHFFFAOYSA-N 1 0 382.291 4.028 20 0 GIADRO CC(C)C(=O)Nc1cccc(NC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000044084347 821520066 /nfs/dbraw/zinc/52/00/66/821520066.db2.gz ZMBIVQGWRNHRTN-OAQYLSRUSA-N 1 0 394.519 4.240 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=S)Nc1cccc(Br)c1 ZINC000044098629 821522746 /nfs/dbraw/zinc/52/27/46/821522746.db2.gz NZKOEGIOARKDKP-AWEZNQCLSA-N 1 0 384.387 4.390 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1cccc(NC(=O)C2CC2)c1 ZINC000044102498 821523245 /nfs/dbraw/zinc/52/32/45/821523245.db2.gz FENAYIUKTJZQQA-UHFFFAOYSA-N 1 0 394.519 4.199 20 0 GIADRO COc1ccc2c(c1)C[C@@H]([NH2+]CCc1nc(-c3cccc(Cl)c3)no1)CC2 ZINC000180902875 821526598 /nfs/dbraw/zinc/52/65/98/821526598.db2.gz ROPPWLBQFMIPMD-SFHVURJKSA-N 1 0 383.879 4.088 20 0 GIADRO Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000180912322 821532879 /nfs/dbraw/zinc/53/28/79/821532879.db2.gz LGCBFPZFLSAZEV-CQSZACIVSA-N 1 0 394.302 4.267 20 0 GIADRO CC(=O)N1CCC(C[NH2+]Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)CC1 ZINC000180934495 821545989 /nfs/dbraw/zinc/54/59/89/821545989.db2.gz BBVNXLAAGWOKAD-UHFFFAOYSA-N 1 0 380.410 4.314 20 0 GIADRO C[NH+](C)CCOc1ccc(CNC(=S)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000044222686 821550042 /nfs/dbraw/zinc/55/00/42/821550042.db2.gz DZHMUXQHCTXPNJ-UHFFFAOYSA-N 1 0 397.466 4.132 20 0 GIADRO Brc1ccccc1[C@@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1ccccc1 ZINC000180949842 821552272 /nfs/dbraw/zinc/55/22/72/821552272.db2.gz ONBQCRVFPXXWDT-JXFKEZNVSA-N 1 0 382.305 4.409 20 0 GIADRO Clc1ccccc1[C@@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1ccc2c(c1)OCCO2 ZINC000180949268 821552378 /nfs/dbraw/zinc/55/23/78/821552378.db2.gz YSCNBDWEWMOVPF-ZHRRBRCNSA-N 1 0 395.890 4.071 20 0 GIADRO COc1cc(Br)ccc1C[NH2+]C1(c2cccc(F)c2)CCOCC1 ZINC000180951721 821553605 /nfs/dbraw/zinc/55/36/05/821553605.db2.gz REDXPQMDWJZMCE-UHFFFAOYSA-N 1 0 394.284 4.392 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Nc1cccc(Cn2cccn2)c1)c1ccccc1 ZINC000044266318 821557752 /nfs/dbraw/zinc/55/77/52/821557752.db2.gz JYSOTFQYXVZQKG-JOCHJYFZSA-N 1 0 391.519 4.136 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)NCc2ccc(OCC(F)(F)F)cc2)c1 ZINC000044277215 821558382 /nfs/dbraw/zinc/55/83/82/821558382.db2.gz QOHHTCBQFVXRJY-UHFFFAOYSA-N 1 0 381.398 4.011 20 0 GIADRO CCc1nc2ccccc2n1C1CC[NH+]([C@H](C)C(=O)NCc2cccs2)CC1 ZINC000180965649 821560350 /nfs/dbraw/zinc/56/03/50/821560350.db2.gz HQNOHJXPCFULQS-MRXNPFEDSA-N 1 0 396.560 4.002 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N[C@@H](C)c1cccs1)c1ccc(OCC(F)(F)F)cc1 ZINC000180968920 821562711 /nfs/dbraw/zinc/56/27/11/821562711.db2.gz YDVWIDMFBCTEBT-OLZOCXBDSA-N 1 0 386.439 4.217 20 0 GIADRO Cc1cc(S(=O)(=O)Nc2ccc(C[NH+]3CCSCC3)cc2C)c(C)s1 ZINC000180974068 821566677 /nfs/dbraw/zinc/56/66/77/821566677.db2.gz MMTXTLAYSQPEPH-UHFFFAOYSA-N 1 0 396.603 4.023 20 0 GIADRO C[C@H]([NH2+]C[C@@H]1CN(c2ccccc2)C(=O)O1)c1ccc(OCC(F)(F)F)cc1 ZINC000180975609 821567666 /nfs/dbraw/zinc/56/76/66/821567666.db2.gz SHZMLUIIBRDPHX-KBXCAEBGSA-N 1 0 394.393 4.304 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cc(F)c(N3CCCCC3)c(F)c2)C1 ZINC000180975599 821567883 /nfs/dbraw/zinc/56/78/83/821567883.db2.gz VVXFEYNAKUBOCR-MRXNPFEDSA-N 1 0 394.510 4.151 20 0 GIADRO C[C@@H]([NH2+]Cc1cnn(C)c1C(F)(F)F)c1ccc(OCC(F)(F)F)cc1 ZINC000180976138 821568628 /nfs/dbraw/zinc/56/86/28/821568628.db2.gz BARNNGUAVPRIES-SNVBAGLBSA-N 1 0 381.320 4.231 20 0 GIADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H](C)c2cc3cc(Cl)ccc3o2)c1 ZINC000180978757 821570187 /nfs/dbraw/zinc/57/01/87/821570187.db2.gz ACWTVEBWYJTFPI-QWHCGFSZSA-N 1 0 392.908 4.406 20 0 GIADRO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](c1ccccc1)C(C)(C)CO ZINC000180981316 821571874 /nfs/dbraw/zinc/57/18/74/821571874.db2.gz QEZIYUHMHODBIS-SLFFLAALSA-N 1 0 390.568 4.072 20 0 GIADRO COc1ccc(NC(=O)N2CC[NH+](C3CCCC3)CC2)cc1OC1CCCC1 ZINC000044334934 821572768 /nfs/dbraw/zinc/57/27/68/821572768.db2.gz NJOUDSUOWXOXDX-UHFFFAOYSA-N 1 0 387.524 4.109 20 0 GIADRO C[C@@H](CCO)[N@H+](CCC(=O)Nc1ccccc1C(F)(F)F)Cc1ccccc1 ZINC000180990678 821578274 /nfs/dbraw/zinc/57/82/74/821578274.db2.gz PARAXUFXWVNNIS-INIZCTEOSA-N 1 0 394.437 4.307 20 0 GIADRO CCn1c2ccccc2nc1[C@H](C)[NH2+][C@H](C)CC(=O)Nc1ccccc1OC ZINC000180993109 821580449 /nfs/dbraw/zinc/58/04/49/821580449.db2.gz XZEILJXYKVWDTD-CVEARBPZSA-N 1 0 380.492 4.133 20 0 GIADRO C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000181006695 821588730 /nfs/dbraw/zinc/58/87/30/821588730.db2.gz BCQTZUXNDRGNEP-HNNXBMFYSA-N 1 0 381.501 4.087 20 0 GIADRO Cc1ccc(NC(=O)C[C@H](C)[NH2+]CCc2nc(-c3ccccn3)cs2)c(C)c1 ZINC000181010878 821591458 /nfs/dbraw/zinc/59/14/58/821591458.db2.gz QGTVVVMVFBODPS-KRWDZBQOSA-N 1 0 394.544 4.371 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)C[NH2+][C@H](c2cccc(F)c2)C2CCCC2)cc1 ZINC000181012897 821593234 /nfs/dbraw/zinc/59/32/34/821593234.db2.gz DRSPRRKZLLXWJF-QFIPXVFZSA-N 1 0 383.467 4.244 20 0 GIADRO Cn1cc([C@H]([NH2+][C@H]2CCCN(c3ccccc3F)C2)c2cccc(F)c2)cn1 ZINC000181033456 821604108 /nfs/dbraw/zinc/60/41/08/821604108.db2.gz JLVKVPRSPLZIJC-SIKLNZKXSA-N 1 0 382.458 4.046 20 0 GIADRO Cn1cnc(-c2cccc(NC3CC[NH+](Cc4ccc(Cl)cc4)CC3)c2)n1 ZINC000181049095 821610334 /nfs/dbraw/zinc/61/03/34/821610334.db2.gz QEPWWZJLXGDGTK-UHFFFAOYSA-N 1 0 381.911 4.212 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(N2CCOC2=O)cc1)c1ccc(Br)cc1 ZINC000181069113 821617809 /nfs/dbraw/zinc/61/78/09/821617809.db2.gz AOVMHEPKQFOMOL-CYBMUJFWSA-N 1 0 375.266 4.257 20 0 GIADRO O=C(N[C@H]1CCCOc2c(Cl)cccc21)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000181085097 821625223 /nfs/dbraw/zinc/62/52/23/821625223.db2.gz FODBHCYQGSCKSJ-LPHOPBHVSA-N 1 0 391.943 4.214 20 0 GIADRO COC1(C[NH2+]Cc2cc(Br)ccc2OCc2ccccn2)CCC1 ZINC000181085246 821625270 /nfs/dbraw/zinc/62/52/70/821625270.db2.gz OTFILZGEVDXOJG-UHFFFAOYSA-N 1 0 391.309 4.082 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)c1c(Cl)cccc1Cl)c1ccc(N2CCOC2=O)cc1 ZINC000181105846 821635250 /nfs/dbraw/zinc/63/52/50/821635250.db2.gz UCCBENXZOCXPJQ-SJCJKPOMSA-N 1 0 395.286 4.334 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc2[nH]c(C(F)F)nc2c1)c1ccco1 ZINC000181105515 821635299 /nfs/dbraw/zinc/63/52/99/821635299.db2.gz LGOYVZTVTBRYNV-OAHLLOKOSA-N 1 0 391.422 4.298 20 0 GIADRO C[C@@H]([NH2+]C[C@H](O)c1c(Cl)cccc1Cl)c1cccc(N2CCOC2=O)c1 ZINC000181107947 821637226 /nfs/dbraw/zinc/63/72/26/821637226.db2.gz VOLNIRIPOONDPG-PXAZEXFGSA-N 1 0 395.286 4.334 20 0 GIADRO CC(C)=CCOc1ccc(CC[C@H](C)[NH2+]C2CCC(S(C)(=O)=O)CC2)cc1 ZINC000181113119 821640649 /nfs/dbraw/zinc/64/06/49/821640649.db2.gz HPRJARABROBKIZ-NLMOZGTASA-N 1 0 393.593 4.298 20 0 GIADRO FC(F)COc1ccc(C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)cc1 ZINC000181125422 821648581 /nfs/dbraw/zinc/64/85/81/821648581.db2.gz WHXWQZGENSLLKA-UHFFFAOYSA-N 1 0 389.368 4.383 20 0 GIADRO C[C@@H]([NH2+]C[C@H]1CN(c2ccccc2)C(=O)O1)c1ccc(Br)cc1 ZINC000181132111 821652883 /nfs/dbraw/zinc/65/28/83/821652883.db2.gz BVAVQFBYJKQWFW-DYVFJYSZSA-N 1 0 375.266 4.125 20 0 GIADRO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(c2ccccc2)c2ccccc2)c1 ZINC000181133308 821653559 /nfs/dbraw/zinc/65/35/59/821653559.db2.gz VKDXKKSNDUYZSU-HSZRJFAPSA-N 1 0 385.511 4.338 20 0 GIADRO Cc1ccc2[nH]c([C@@H]3CCC[N@H+](CCC(=O)Nc4ccccc4C)C3)nc2c1 ZINC000181142099 821660063 /nfs/dbraw/zinc/66/00/63/821660063.db2.gz MPNMXWJYPGGTFE-GOSISDBHSA-N 1 0 376.504 4.388 20 0 GIADRO N#Cc1ccc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c(Br)c1 ZINC000181146954 821662563 /nfs/dbraw/zinc/66/25/63/821662563.db2.gz DEUJUBAPBMABRJ-NVXWUHKLSA-N 1 0 375.266 4.002 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc(OC(F)F)cc1)C(=O)Nc1ccc(N(C)C)cc1 ZINC000044802792 821665196 /nfs/dbraw/zinc/66/51/96/821665196.db2.gz WNZNFVHRHSRNTB-KBPBESRZSA-N 1 0 377.435 4.032 20 0 GIADRO COc1ccccc1NC(=O)C1CC[NH+]([C@@H](C)c2nc3ccccc3o2)CC1 ZINC000181155988 821668778 /nfs/dbraw/zinc/66/87/78/821668778.db2.gz ABSSAHAOWVUFSL-HNNXBMFYSA-N 1 0 379.460 4.248 20 0 GIADRO C[C@H](c1nc2ccccc2o1)[NH+]1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000181157572 821669302 /nfs/dbraw/zinc/66/93/02/821669302.db2.gz GMFWHWPXGJMYAQ-CYBMUJFWSA-N 1 0 384.867 4.288 20 0 GIADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]2C[C@H]2C)c1 ZINC000181164038 821673826 /nfs/dbraw/zinc/67/38/26/821673826.db2.gz KEVJKWFLOCZKCH-RYMBOPBQSA-N 1 0 392.952 4.296 20 0 GIADRO CC1CC[NH+](Cc2ccc(CNC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000044875537 821675576 /nfs/dbraw/zinc/67/55/76/821675576.db2.gz OPDVGYRZWYGXRC-DHZHZOJOSA-N 1 0 393.487 4.156 20 0 GIADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@@H](C)Oc1cccc(Cl)c1 ZINC000181173609 821677721 /nfs/dbraw/zinc/67/77/21/821677721.db2.gz DJFIRPPJSAYNTH-CHWSQXEVSA-N 1 0 382.291 4.163 20 0 GIADRO COc1ccc([C@H](C)[NH2+]C[C@H](C)Oc2ccccc2Cl)cc1NC(C)=O ZINC000181181800 821681748 /nfs/dbraw/zinc/68/17/48/821681748.db2.gz NPBDPHBNMJBPKI-KBPBESRZSA-N 1 0 376.884 4.425 20 0 GIADRO CC(C)N(Cc1ccccc1)C(=O)C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000181186503 821684100 /nfs/dbraw/zinc/68/41/00/821684100.db2.gz JMPMQHZPZMZVHZ-GGAORHGYSA-N 1 0 380.532 4.181 20 0 GIADRO CC(C)CNC(=O)c1cccc(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)c1 ZINC000181189817 821686281 /nfs/dbraw/zinc/68/62/81/821686281.db2.gz GNXHTSKIJRJHHP-REWPJTCUSA-N 1 0 380.532 4.330 20 0 GIADRO Cc1cc2ncc([C@@H](C)[NH2+]CCc3csc(-c4ccccc4)n3)c(C)n2n1 ZINC000181190414 821686397 /nfs/dbraw/zinc/68/63/97/821686397.db2.gz IYOFBSAXVJGAQJ-OAHLLOKOSA-N 1 0 377.517 4.363 20 0 GIADRO C[C@H](CC1CC1)[NH2+][C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000181194950 821689782 /nfs/dbraw/zinc/68/97/82/821689782.db2.gz TWDNSIVEIFNYIG-XCLFUZPHSA-N 1 0 379.472 4.236 20 0 GIADRO CO[C@@H](C[NH2+]C1CCC2(CC1)C(=O)Nc1ccccc12)c1cccc(Cl)c1 ZINC000181196133 821690479 /nfs/dbraw/zinc/69/04/79/821690479.db2.gz NCWISAGHEZVPFJ-DHHCDUQHSA-N 1 0 384.907 4.450 20 0 GIADRO CC(=O)Nc1cccc(Nc2nnc(SCC[C@H]3CCCC[N@H+]3C)s2)c1 ZINC000045022852 821693231 /nfs/dbraw/zinc/69/32/31/821693231.db2.gz IFXCZXHHRILIAH-MRXNPFEDSA-N 1 0 391.566 4.207 20 0 GIADRO C[C@H](NC(=O)C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1)c1ccc(Cl)cc1 ZINC000181211823 821699636 /nfs/dbraw/zinc/69/96/36/821699636.db2.gz YZFJZKNINAOKKH-FIKGOQFSSA-N 1 0 386.923 4.275 20 0 GIADRO O=C(C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1)Nc1ccccc1C(F)(F)F ZINC000181220950 821704535 /nfs/dbraw/zinc/70/45/35/821704535.db2.gz VANOBVFNDKEPCU-KXBFYZLASA-N 1 0 392.421 4.401 20 0 GIADRO O=C(NCCC[NH2+][C@@H]1CCCc2nc(-c3ccccc3F)sc21)C1CCC1 ZINC000181230618 821708690 /nfs/dbraw/zinc/70/86/90/821708690.db2.gz UKVTUDUAYUKWJG-QGZVFWFLSA-N 1 0 387.524 4.223 20 0 GIADRO COc1ccc(-c2nc3c(s2)[C@H]([NH2+]CCCNC(=O)C2CCC2)CCC3)cc1 ZINC000181231342 821709534 /nfs/dbraw/zinc/70/95/34/821709534.db2.gz UCULPPCECBHQAK-GOSISDBHSA-N 1 0 399.560 4.092 20 0 GIADRO O=C(C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1)Nc1cccc(C(F)(F)F)c1 ZINC000181233816 821710984 /nfs/dbraw/zinc/71/09/84/821710984.db2.gz WZMIBBAWRBNRRU-BEFAXECRSA-N 1 0 392.421 4.401 20 0 GIADRO O=C(C[NH2+][C@@H](c1ccccc1)[C@H]1CCCc2ccccc21)NCc1cccnc1 ZINC000181240482 821714370 /nfs/dbraw/zinc/71/43/70/821714370.db2.gz ISYFGHQLVJPVMW-ZCYQVOJMSA-N 1 0 385.511 4.149 20 0 GIADRO CC[C@H](C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1)Oc1cccc(C)c1 ZINC000181240619 821714406 /nfs/dbraw/zinc/71/44/06/821714406.db2.gz FZRIGUUQKWFMSA-DOTOQJQBSA-N 1 0 379.497 4.046 20 0 GIADRO Cc1c([C@@H](C)[NH2+]Cc2ccc([S@@](C)=O)cc2)cnn1-c1cc(C)ccc1C ZINC000181248462 821717785 /nfs/dbraw/zinc/71/77/85/821717785.db2.gz DHWWDBDUTKVLOX-XGCWNURASA-N 1 0 381.545 4.386 20 0 GIADRO O=C(C[NH2+]C1(c2ccc(F)cc2F)CCCC1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000181254793 821720184 /nfs/dbraw/zinc/72/01/84/821720184.db2.gz BACKTFLCHFNDAW-CYBMUJFWSA-N 1 0 390.396 4.125 20 0 GIADRO c1c(C[NH2+]CC[C@@H]2CCCCO2)c(-c2cccnc2)nn1Cc1ccccc1 ZINC000181259862 821722107 /nfs/dbraw/zinc/72/21/07/821722107.db2.gz RGKVCUJSHOUXOQ-QFIPXVFZSA-N 1 0 376.504 4.042 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CC(C)(C)OC1(C)C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000181260965 821722288 /nfs/dbraw/zinc/72/22/88/821722288.db2.gz WAYLHPIXFFIRBJ-DNVCBOLYSA-N 1 0 379.566 4.400 20 0 GIADRO COc1c(Br)cccc1C[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000181261770 821722829 /nfs/dbraw/zinc/72/28/29/821722829.db2.gz NJYMSBLJXKCWLI-AWEZNQCLSA-N 1 0 386.293 4.494 20 0 GIADRO COc1c(Br)cccc1C[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000181261823 821722953 /nfs/dbraw/zinc/72/29/53/821722953.db2.gz CSVHBWMODMJFJA-GFCCVEGCSA-N 1 0 378.266 4.080 20 0 GIADRO CCCOc1ccc(OCC[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)cc1 ZINC000181268583 821725671 /nfs/dbraw/zinc/72/56/71/821725671.db2.gz VJAZHVGAMWKWSO-KRWDZBQOSA-N 1 0 384.476 4.162 20 0 GIADRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1Cl)c1ccc(-c2cccnc2)cc1 ZINC000181272625 821726868 /nfs/dbraw/zinc/72/68/68/821726868.db2.gz BHCGISFWUSLMFX-UZLBHIALSA-N 1 0 382.891 4.493 20 0 GIADRO C[C@@H]([NH2+]CC(=O)NCc1cccc(Cl)c1)c1ccc(-c2cccnc2)cc1 ZINC000181280573 821732548 /nfs/dbraw/zinc/73/25/48/821732548.db2.gz RGEGUBYYLKRLRV-MRXNPFEDSA-N 1 0 379.891 4.369 20 0 GIADRO COc1cccc([C@@H]2[C@@H]([NH2+][C@H](C)c3cccc(NC(C)=O)c3)CCN2C2CC2)c1 ZINC000181282498 821733663 /nfs/dbraw/zinc/73/36/63/821733663.db2.gz AUWDWVYNEYUIAI-QQTNTEGQSA-N 1 0 393.531 4.282 20 0 GIADRO C[C@@H](NC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)c1cc2ccccc2o1 ZINC000181285933 821735857 /nfs/dbraw/zinc/73/58/57/821735857.db2.gz ZBXMJEQQEYTSHH-GOSISDBHSA-N 1 0 399.535 4.028 20 0 GIADRO COc1cc([C@H](C)[NH2+]CC2(Cc3ccccc3)CCC2)ccc1S(C)(=O)=O ZINC000181290692 821737786 /nfs/dbraw/zinc/73/77/86/821737786.db2.gz TVTODCQJZWUSJR-KRWDZBQOSA-N 1 0 387.545 4.162 20 0 GIADRO C[C@H]([NH2+]CC(=O)NCCCOC1CCCCC1)c1ccc(-c2cccnc2)cc1 ZINC000181291180 821738764 /nfs/dbraw/zinc/73/87/64/821738764.db2.gz OGDUHAYSKKEXIG-IBGZPJMESA-N 1 0 395.547 4.255 20 0 GIADRO COCc1nc2n(n1)C[C@@H]([NH2+][C@@H](CC(C)C)c1cccc(C(F)(F)F)c1)CC2 ZINC000181292786 821739223 /nfs/dbraw/zinc/73/92/23/821739223.db2.gz XJZWCICWWHXCIL-IRXDYDNUSA-N 1 0 396.457 4.135 20 0 GIADRO Cc1cccc(C(C)C)c1NC(=O)C[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000181301917 821744153 /nfs/dbraw/zinc/74/41/53/821744153.db2.gz UWJUUXVMKSPMSS-QGZVFWFLSA-N 1 0 395.503 4.364 20 0 GIADRO CC[NH+](CC)CCSc1nnc(-c2c[nH]c3ccccc32)n1C[C@H]1CCCO1 ZINC000181304556 821745270 /nfs/dbraw/zinc/74/52/70/821745270.db2.gz UXXRZRVFBBHXQN-MRXNPFEDSA-N 1 0 399.564 4.039 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000181306409 821746283 /nfs/dbraw/zinc/74/62/83/821746283.db2.gz ZBPWHQRWAAFROA-VXGBXAGGSA-N 1 0 383.414 4.245 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)Cc1ccccc1Br)c1ccc(S(C)(=O)=O)cc1 ZINC000181308397 821747668 /nfs/dbraw/zinc/74/76/68/821747668.db2.gz OKUGNOGRZKIUKW-UONOGXRCSA-N 1 0 396.350 4.134 20 0 GIADRO COc1ccc(OC)c([C@H](C)[NH2+][C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)c1 ZINC000181308904 821747679 /nfs/dbraw/zinc/74/76/79/821747679.db2.gz UWAKFYZDZYRQNJ-RYUDHWBXSA-N 1 0 385.430 4.491 20 0 GIADRO COc1ccc(OC)c([C@@H](C)[NH2+][C@H](C)c2c(C)nn(CC(F)(F)F)c2C)c1 ZINC000181308923 821747737 /nfs/dbraw/zinc/74/77/37/821747737.db2.gz UWAKFYZDZYRQNJ-VXGBXAGGSA-N 1 0 385.430 4.491 20 0 GIADRO C[C@H]([NH2+]CC(=O)N1CCC[C@H](C(F)(F)F)C1)c1ccc(-c2cccnc2)cc1 ZINC000181311549 821749625 /nfs/dbraw/zinc/74/96/25/821749625.db2.gz HZMZJWGHIBBWLI-KXBFYZLASA-N 1 0 391.437 4.200 20 0 GIADRO COc1ccccc1CN(C)C(=O)C[NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000181313439 821752105 /nfs/dbraw/zinc/75/21/05/821752105.db2.gz NDNBYJKULISTCU-SFHVURJKSA-N 1 0 389.499 4.066 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCCOc3c(F)cccc32)cc1 ZINC000181321956 821758420 /nfs/dbraw/zinc/75/84/20/821758420.db2.gz YIIGREIBVSDABF-IFXJQAMLSA-N 1 0 392.496 4.152 20 0 GIADRO COc1cccc2[nH]cc(CC[NH2+][C@@H](C)c3ccc(N4CCCC4=O)cc3)c21 ZINC000181337540 821769076 /nfs/dbraw/zinc/76/90/76/821769076.db2.gz AAEDUGZHNCPYJN-INIZCTEOSA-N 1 0 377.488 4.197 20 0 GIADRO Cc1cc(C)n(-c2ccc(C[NH2+][C@H](C)c3ccc(N4CCCC4=O)cc3)cc2)n1 ZINC000181357772 821784677 /nfs/dbraw/zinc/78/46/77/821784677.db2.gz XMVZVIZZEKQTIF-LJQANCHMSA-N 1 0 388.515 4.467 20 0 GIADRO O[C@H](C[NH2+][C@H]1CCSc2ccccc21)COc1ccccc1Br ZINC000181359954 821786414 /nfs/dbraw/zinc/78/64/14/821786414.db2.gz YQVQNHACERNMFY-CJNGLKHVSA-N 1 0 394.334 4.016 20 0 GIADRO CCOc1cc2c(cc1C[NH2+][C@H](C)c1sc(CCOC)nc1C)O[C@H](C)C2 ZINC000181372084 821792937 /nfs/dbraw/zinc/79/29/37/821792937.db2.gz MFLUNOPWEWEDGH-ZIAGYGMSSA-N 1 0 390.549 4.213 20 0 GIADRO Cc1cccc(Cl)c1NC(=O)C[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000181372207 821792969 /nfs/dbraw/zinc/79/29/69/821792969.db2.gz INYWSXXGFQCVCG-HNNXBMFYSA-N 1 0 385.895 4.065 20 0 GIADRO CSc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000181374186 821793622 /nfs/dbraw/zinc/79/36/22/821793622.db2.gz GOJWDZNWZLLSNK-HOTGVXAUSA-N 1 0 397.544 4.213 20 0 GIADRO Cc1cccc(C[NH2+]CC2(c3ccc(Br)cc3)CCOCC2)c1O ZINC000181382017 821796900 /nfs/dbraw/zinc/79/69/00/821796900.db2.gz JBCCXXLUIGCVKS-UHFFFAOYSA-N 1 0 390.321 4.301 20 0 GIADRO CCC[C@H]([NH2+]Cc1cccc(C)c1O)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000181382492 821797533 /nfs/dbraw/zinc/79/75/33/821797533.db2.gz SFVGYYBPLGGZJJ-NRFANRHFSA-N 1 0 381.520 4.198 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+]Cc2ccc(N3CCCCCC3)nc2)s1 ZINC000181382896 821797601 /nfs/dbraw/zinc/79/76/01/821797601.db2.gz FGZMHKIGDWIXFR-MRXNPFEDSA-N 1 0 388.581 4.267 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+]CCCc2cn(-c3ccccc3)nc2C)s1 ZINC000181396358 821805878 /nfs/dbraw/zinc/80/58/78/821805878.db2.gz GSOHXGFEBHMCQW-QGZVFWFLSA-N 1 0 398.576 4.418 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+]C[C@@H](c2ccc(C)cc2)N2CCCC2)s1 ZINC000181405041 821808676 /nfs/dbraw/zinc/80/86/76/821808676.db2.gz WCSPGISMLORRKJ-XLIONFOSSA-N 1 0 387.593 4.437 20 0 GIADRO Cc1cccc([C@@H](O)C[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)c1 ZINC000181406534 821808988 /nfs/dbraw/zinc/80/89/88/821808988.db2.gz LCOGTYRUNJLTRH-NRFANRHFSA-N 1 0 376.903 4.075 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)c2sc(-c3ccc(F)c(F)c3)nc2C)CC1 ZINC000181411131 821811413 /nfs/dbraw/zinc/81/14/13/821811413.db2.gz PVJZACJQTNNGSB-UHFFFAOYSA-N 1 0 393.503 4.343 20 0 GIADRO C[C@H](NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccccc1OC(F)(F)F ZINC000181416982 821815258 /nfs/dbraw/zinc/81/52/58/821815258.db2.gz OIFFOLROMXYGFT-QGTPRVQTSA-N 1 0 386.458 4.004 20 0 GIADRO COc1cccc2cc([C@@H](C)[NH2+][C@H](CN3CCOCC3)c3ccccc3)oc21 ZINC000181421545 821817874 /nfs/dbraw/zinc/81/78/74/821817874.db2.gz IROGVKWNRQIZFP-YLJYHZDGSA-N 1 0 380.488 4.166 20 0 GIADRO Nc1nc(C[N@@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccccc2)nc2ccccc12 ZINC000181421415 821818145 /nfs/dbraw/zinc/81/81/45/821818145.db2.gz VESWJLMPMDRIFV-WIYYLYMNSA-N 1 0 376.504 4.080 20 0 GIADRO COc1cccc2cc([C@@H](C)[NH2+]C[C@@H](c3ccc(C)o3)N3CCOCC3)oc21 ZINC000181424263 821819596 /nfs/dbraw/zinc/81/95/96/821819596.db2.gz NPIOWRXIMOQOBA-AEFFLSMTSA-N 1 0 384.476 4.067 20 0 GIADRO Cc1ccc(-c2nc(CC(=O)N[C@@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)cs2)o1 ZINC000181431913 821823746 /nfs/dbraw/zinc/82/37/46/821823746.db2.gz KWSDICZBSPQIDC-JKSUJKDBSA-N 1 0 387.549 4.023 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+]C[C@H](O)c2cc3ccccc3s2)s1 ZINC000181434027 821825159 /nfs/dbraw/zinc/82/51/59/821825159.db2.gz PMCLLVOUYCBUIS-DOMZBBRYSA-N 1 0 376.547 4.239 20 0 GIADRO COc1ccc([C@@H](C)NCc2cccc(C[NH+](C)C)c2)c(Br)c1 ZINC000181438755 821827337 /nfs/dbraw/zinc/82/73/37/821827337.db2.gz BFQQECBWSYPOSR-CQSZACIVSA-N 1 0 377.326 4.370 20 0 GIADRO COC[C@H](NCc1cn2cc(Cl)cc(Cl)c2n1)c1ccc(F)c(F)c1 ZINC000181440791 821827975 /nfs/dbraw/zinc/82/79/75/821827975.db2.gz VEQWTPUMANJUSQ-INIZCTEOSA-N 1 0 386.229 4.397 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)cc1Br ZINC000181447322 821829853 /nfs/dbraw/zinc/82/98/53/821829853.db2.gz UDKYVEDFDFSQLT-DXCKQFNASA-N 1 0 386.355 4.163 20 0 GIADRO Cc1cc(C)c(NC(=O)C[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)c(Cl)c1 ZINC000181448049 821830616 /nfs/dbraw/zinc/83/06/16/821830616.db2.gz CLRCTYRNQKKFBP-INIZCTEOSA-N 1 0 399.922 4.373 20 0 GIADRO C[N@@H+](Cc1ncc(-c2ccccc2Br)o1)C[C@@H]1CCCC[C@@H]1O ZINC000181452767 821832482 /nfs/dbraw/zinc/83/24/82/821832482.db2.gz BXODHEPEQDAXIX-BBRMVZONSA-N 1 0 379.298 4.087 20 0 GIADRO COc1cccc2cc([C@@H](C)[NH2+]Cc3ccccc3CN3CCCC3=O)oc21 ZINC000181473281 821841657 /nfs/dbraw/zinc/84/16/57/821841657.db2.gz FOZFOQKUVBMAEH-MRXNPFEDSA-N 1 0 378.472 4.415 20 0 GIADRO COc1cccc2cc([C@@H](C)[NH2+]Cc3cccc(CN4CCCC4=O)c3)oc21 ZINC000181490416 821849889 /nfs/dbraw/zinc/84/98/89/821849889.db2.gz WNGYJFSCFPNKJX-MRXNPFEDSA-N 1 0 378.472 4.415 20 0 GIADRO COCCOc1ccc(C[NH2+][C@H](C)c2ccc(OC)cc2Br)cc1 ZINC000181491224 821850689 /nfs/dbraw/zinc/85/06/89/821850689.db2.gz SJSRZNGRRNAJCS-CQSZACIVSA-N 1 0 394.309 4.334 20 0 GIADRO CCO[C@H]1C[C@H]([NH2+]C2CCN(C(=O)c3ccccc3F)CC2)C12CCCCC2 ZINC000181496998 821853574 /nfs/dbraw/zinc/85/35/74/821853574.db2.gz JVMKQBBZRLFCAV-SFTDATJTSA-N 1 0 388.527 4.148 20 0 GIADRO CS[C@H]1CCC[C@@H](NC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000181502029 821855897 /nfs/dbraw/zinc/85/58/97/821855897.db2.gz RZMHJRNRHSXOAG-QUCCMNQESA-N 1 0 390.597 4.004 20 0 GIADRO CS[C@H]1CCC[C@H](NC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000181502043 821856015 /nfs/dbraw/zinc/85/60/15/821856015.db2.gz RZMHJRNRHSXOAG-ICSRJNTNSA-N 1 0 390.597 4.004 20 0 GIADRO CC(C)[C@H]([NH2+]Cc1cc(=O)n2ccsc2n1)c1ccc(C(F)(F)F)cc1 ZINC000181502467 821856627 /nfs/dbraw/zinc/85/66/27/821856627.db2.gz UZPAGOZLTARYNT-INIZCTEOSA-N 1 0 381.423 4.262 20 0 GIADRO CCCCNC(=O)C1CC[NH+](CCCc2ccccc2Br)CC1 ZINC000181504662 821857218 /nfs/dbraw/zinc/85/72/18/821857218.db2.gz FGSQWRVAUABWOV-UHFFFAOYSA-N 1 0 381.358 4.010 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1cccc(O)c1)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000181506750 821858409 /nfs/dbraw/zinc/85/84/09/821858409.db2.gz DWWOXKWFCNRDAD-STQMWFEESA-N 1 0 385.464 4.333 20 0 GIADRO COc1ccc(NC(=O)C[C@@H](C)[NH2+]CC2(Cc3ccccc3)CC2)c(OC)c1 ZINC000181508891 821859479 /nfs/dbraw/zinc/85/94/79/821859479.db2.gz NGVPFWLIBOMNEG-QGZVFWFLSA-N 1 0 382.504 4.033 20 0 GIADRO CCOc1ccccc1OCCCC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181508262 821859562 /nfs/dbraw/zinc/85/95/62/821859562.db2.gz ZJSLQXADZWCYCI-RBUKOAKNSA-N 1 0 388.552 4.014 20 0 GIADRO O=C(C[NH2+][C@H](CCO)C1CCCCC1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000181509623 821860067 /nfs/dbraw/zinc/86/00/67/821860067.db2.gz WSARGUWXCJQRBQ-OAHLLOKOSA-N 1 0 392.849 4.218 20 0 GIADRO COc1cccc2cc([C@H](C)[NH2+]Cc3ccc(N4C[C@@H](C)O[C@H](C)C4)nc3)oc21 ZINC000181509872 821860602 /nfs/dbraw/zinc/86/06/02/821860602.db2.gz PJQXIVJQRIQLCN-ZACQAIPSSA-N 1 0 395.503 4.301 20 0 GIADRO C[C@@H](NC(=O)CCc1ccccc1Br)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181519582 821864412 /nfs/dbraw/zinc/86/44/12/821864412.db2.gz CWFXLXYJQROXBT-NVXWUHKLSA-N 1 0 393.369 4.151 20 0 GIADRO C[C@H]([NH2+]CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)c1cccc(O)c1 ZINC000181522627 821865531 /nfs/dbraw/zinc/86/55/31/821865531.db2.gz XSLOYDDUUAIBIE-HJPURHCSSA-N 1 0 392.524 4.279 20 0 GIADRO C[C@@H](NC(=O)COc1ccc(Cl)cc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181524609 821865839 /nfs/dbraw/zinc/86/58/39/821865839.db2.gz YZLSQBUUFQLSMB-ZIAGYGMSSA-N 1 0 385.335 4.141 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)c1cccc(O)c1 ZINC000181522687 821865918 /nfs/dbraw/zinc/86/59/18/821865918.db2.gz XSLOYDDUUAIBIE-WAIKUNEKSA-N 1 0 392.524 4.279 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(SCC(F)F)cc1 ZINC000181529407 821867790 /nfs/dbraw/zinc/86/77/90/821867790.db2.gz JNIHNUMPMQPEDA-SMDDNHRTSA-N 1 0 396.425 4.248 20 0 GIADRO C[C@H]([NH2+]CCC(=O)N1CCCCC1)c1cc2cc(Br)ccc2o1 ZINC000181528778 821867874 /nfs/dbraw/zinc/86/78/74/821867874.db2.gz BZJPVGPZDVQMMT-ZDUSSCGKSA-N 1 0 379.298 4.249 20 0 GIADRO C[C@@H](CC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)C(=O)c1ccc(Cl)cc1 ZINC000181534832 821871512 /nfs/dbraw/zinc/87/15/12/821871512.db2.gz OUXRXPLILDHTGJ-QFBILLFUSA-N 1 0 376.928 4.026 20 0 GIADRO COc1cc(NC(=O)C[NH2+][C@H](C)[C@@H](C)c2ccccc2)c(OC)cc1Cl ZINC000181536753 821871743 /nfs/dbraw/zinc/87/17/43/821871743.db2.gz XYOUJXMNYNWOGY-ZIAGYGMSSA-N 1 0 376.884 4.078 20 0 GIADRO CC1(C)[C@H]([NH2+]Cc2cccc(NC(=O)c3cccc(F)c3)c2)[C@@H]2CCCO[C@@H]21 ZINC000181539758 821873729 /nfs/dbraw/zinc/87/37/29/821873729.db2.gz OJXMSFAHKHOOCR-HBMCJLEFSA-N 1 0 382.479 4.371 20 0 GIADRO C[C@H](NC(=O)c1cnc(-c2ccsc2)s1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181547103 821875741 /nfs/dbraw/zinc/87/57/41/821875741.db2.gz IEPIDYONKBOSEE-UONOGXRCSA-N 1 0 375.563 4.254 20 0 GIADRO Cc1c([C@H](C)[NH2+]C[C@H](c2ccccc2)C(C)(C)CO)nnn1-c1ccc(F)cc1 ZINC000181554744 821879134 /nfs/dbraw/zinc/87/91/34/821879134.db2.gz RPMRUOVOZPXHEE-HRAATJIYSA-N 1 0 396.510 4.168 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](c1ccccc1)C(C)(C)CO)c1ccc(N2CCOC2=O)cc1 ZINC000181554035 821879188 /nfs/dbraw/zinc/87/91/88/821879188.db2.gz PTSAYJNOLRDGMO-UTKZUKDTSA-N 1 0 382.504 4.096 20 0 GIADRO C[C@@H]([NH2+]C[C@H](c1ccccc1)C(C)(C)CO)c1cccc(N2CCOC2=O)c1 ZINC000181556967 821880007 /nfs/dbraw/zinc/88/00/07/821880007.db2.gz AJQHKNXSEHAHPN-DYESRHJHSA-N 1 0 382.504 4.096 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+]CCc2nnc(-c3ccccc3)o2)cc1OCC ZINC000181561315 821881696 /nfs/dbraw/zinc/88/16/96/821881696.db2.gz VJSMBHUZRUPPNY-INIZCTEOSA-N 1 0 381.476 4.427 20 0 GIADRO OCC1(C[NH2+][C@H]2CCCc3nc(-c4ccc(Cl)cc4)sc32)CCOCC1 ZINC000181565602 821883315 /nfs/dbraw/zinc/88/33/15/821883315.db2.gz ZXCHYDPUKJQJIP-INIZCTEOSA-N 1 0 392.952 4.220 20 0 GIADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000181568781 821883581 /nfs/dbraw/zinc/88/35/81/821883581.db2.gz VIZQBKJTOSMXSO-OAHLLOKOSA-N 1 0 380.879 4.304 20 0 GIADRO C[C@H](CC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C(=O)c1ccc(Cl)cc1 ZINC000181575367 821886437 /nfs/dbraw/zinc/88/64/37/821886437.db2.gz KYTUXJOMXYNXAM-WRWLIDTKSA-N 1 0 388.939 4.024 20 0 GIADRO Cn1cc(C[NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)c(C(F)(F)F)n1 ZINC000181580599 821887958 /nfs/dbraw/zinc/88/79/58/821887958.db2.gz IQCGDOLZPAKBCO-ZDUSSCGKSA-N 1 0 379.304 4.115 20 0 GIADRO CNC(=O)c1cccc(C[NH2+][C@H](C)c2cc3cc(Br)ccc3o2)c1 ZINC000181584722 821890294 /nfs/dbraw/zinc/89/02/94/821890294.db2.gz UKPJZKDEGKFOCR-GFCCVEGCSA-N 1 0 387.277 4.406 20 0 GIADRO COc1ccc(C)cc1NC(=O)C[NH2+][C@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000181591780 821893883 /nfs/dbraw/zinc/89/38/83/821893883.db2.gz HQHBCKURWQDTLZ-OAHLLOKOSA-N 1 0 386.467 4.221 20 0 GIADRO CC[C@@H]([NH2+]Cc1ccc(COC2CCOCC2)cc1)c1ccc2c(c1)OCCO2 ZINC000181611223 821903117 /nfs/dbraw/zinc/90/31/17/821903117.db2.gz CMUBRGWHDGBHCG-JOCHJYFZSA-N 1 0 397.515 4.394 20 0 GIADRO C[C@@H](NC(=O)c1cc(Cl)ccc1Br)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181640387 821918388 /nfs/dbraw/zinc/91/83/88/821918388.db2.gz LHBZKCZTHWGXFL-OLZOCXBDSA-N 1 0 399.760 4.485 20 0 GIADRO COc1cccc(C2(C(=O)N[C@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)CCCC2)c1 ZINC000181644749 821920238 /nfs/dbraw/zinc/92/02/38/821920238.db2.gz YWWJZIVOAGFDST-RTBURBONSA-N 1 0 384.564 4.276 20 0 GIADRO CC(C)(C)C[C@@H]([NH2+]Cc1cccc([C@@]2(C)NC(=O)NC2=O)c1)c1ccc(F)cc1 ZINC000181645905 821920305 /nfs/dbraw/zinc/92/03/05/821920305.db2.gz BCKCJXOOMHAVCD-AUSIDOKSSA-N 1 0 397.494 4.147 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CC2([C@H](O)c3ccccc3)CC2)cc1Cn1cccn1 ZINC000181644873 821920319 /nfs/dbraw/zinc/92/03/19/821920319.db2.gz SPWFTSZOVMQLQO-WZONZLPQSA-N 1 0 391.515 4.104 20 0 GIADRO CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000181662615 821929729 /nfs/dbraw/zinc/92/97/29/821929729.db2.gz PAUCMOGTQMITAW-CRAIPNDOSA-N 1 0 379.522 4.205 20 0 GIADRO C[C@H](NC(=O)c1cccc(Oc2ccncc2)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181663207 821930718 /nfs/dbraw/zinc/93/07/18/821930718.db2.gz YQCDAAKHJFPCDO-PKOBYXMFSA-N 1 0 379.504 4.257 20 0 GIADRO O=C(Nc1ccccc1N1CCc2ccccc21)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000181665789 821932713 /nfs/dbraw/zinc/93/27/13/821932713.db2.gz QZXYOAXSYBDSPJ-LJQANCHMSA-N 1 0 390.531 4.330 20 0 GIADRO CC[C@@H](CSc1ccccc1)[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000181667136 821933576 /nfs/dbraw/zinc/93/35/76/821933576.db2.gz QIEOCVQHWRLATE-HOCLYGCPSA-N 1 0 381.538 4.451 20 0 GIADRO C[C@@H](NC(=O)c1occc1COc1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181669246 821934768 /nfs/dbraw/zinc/93/47/68/821934768.db2.gz NXAOSGQNOUCXSZ-MSOLQXFVSA-N 1 0 382.504 4.241 20 0 GIADRO O=C1C[C@H](c2ccccc2)N(Cc2nc(-c3c(F)cccc3F)cs2)CCN1 ZINC000181672370 821937169 /nfs/dbraw/zinc/93/71/69/821937169.db2.gz BIZSWIJNZQPRDJ-GOSISDBHSA-N 1 0 399.466 4.152 20 0 GIADRO C[C@@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000181681275 821941141 /nfs/dbraw/zinc/94/11/41/821941141.db2.gz WWYDOHZFVOLSQA-KGLIPLIRSA-N 1 0 398.981 4.001 20 0 GIADRO C[C@@H](NCc1nnc(C2CCC2)n1C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000181682125 821941997 /nfs/dbraw/zinc/94/19/97/821941997.db2.gz MCNRZCSEZQFFNP-MRXNPFEDSA-N 1 0 389.503 4.186 20 0 GIADRO COC(=O)c1ccc(C[NH2+][C@H](C)c2ccccc2OC(F)(F)F)cc1OC ZINC000181687487 821944334 /nfs/dbraw/zinc/94/43/34/821944334.db2.gz PSSCXJJXTVNNLV-GFCCVEGCSA-N 1 0 383.366 4.231 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@H]2CCN(c3ccccn3)C2)cnn1-c1cccc(Cl)c1 ZINC000181698201 821948454 /nfs/dbraw/zinc/94/84/54/821948454.db2.gz QCBIOTAJFWXCSU-YJBOKZPZSA-N 1 0 381.911 4.159 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(c2ccccn2)C1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000181697454 821948563 /nfs/dbraw/zinc/94/85/63/821948563.db2.gz ZFZQWTUHVZZAQL-DFQSSKMNSA-N 1 0 399.510 4.098 20 0 GIADRO C[C@H]([NH2+][C@H]1CCN(c2ccccn2)C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000181701952 821949813 /nfs/dbraw/zinc/94/98/13/821949813.db2.gz AEXYVZQVJAKWPB-STQMWFEESA-N 1 0 399.388 4.214 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@@H]2CCN(c3ccccn3)C2)ccc1SC(F)F ZINC000181702505 821950749 /nfs/dbraw/zinc/95/07/49/821950749.db2.gz HUKPCJZQWUXLSG-DZGCQCFKSA-N 1 0 379.476 4.334 20 0 GIADRO CCc1nn(C)c(CC)c1C[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000181725550 821962393 /nfs/dbraw/zinc/96/23/93/821962393.db2.gz JUEGKCFWCUVJRY-LBPRGKRZSA-N 1 0 397.304 4.000 20 0 GIADRO C[C@@H](CCCc1ccccc1)C(=O)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC000181726888 821963177 /nfs/dbraw/zinc/96/31/77/821963177.db2.gz HJBONNAAXUINDS-IBGZPJMESA-N 1 0 380.532 4.241 20 0 GIADRO CCCCC[C@H]([NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)c1ccccc1 ZINC000181745489 821973119 /nfs/dbraw/zinc/97/31/19/821973119.db2.gz GMEIUZRZZMQIKD-LEWJYISDSA-N 1 0 375.534 4.035 20 0 GIADRO COc1cc(OC)c([C@H](C)[NH2+][C@H](C)c2ccc(-n3ccnn3)cc2)cc1Cl ZINC000181744841 821973224 /nfs/dbraw/zinc/97/32/24/821973224.db2.gz GGKSNJRROFCPJE-KGLIPLIRSA-N 1 0 386.883 4.350 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(-n3ccnn3)cc2)cc1OCC ZINC000181747864 821974354 /nfs/dbraw/zinc/97/43/54/821974354.db2.gz OAMRVYFCHWNEAA-DLBZAZTESA-N 1 0 380.492 4.477 20 0 GIADRO C[C@H]([NH2+]CCCOC[C@H]1CCOC1)c1cc2cc(Br)ccc2o1 ZINC000181793287 821994524 /nfs/dbraw/zinc/99/45/24/821994524.db2.gz FRXBNKITJNOYJY-UONOGXRCSA-N 1 0 382.298 4.289 20 0 GIADRO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000181822206 822006472 /nfs/dbraw/zinc/00/64/72/822006472.db2.gz RRADEFRBUNWQJB-YJBOKZPZSA-N 1 0 385.577 4.448 20 0 GIADRO Cc1ccc(N2CCC[C@H]([NH2+]C3CCN(Cc4ccc(C#N)cc4)CC3)C2)cc1 ZINC000181828246 822009305 /nfs/dbraw/zinc/00/93/05/822009305.db2.gz IVSDPCRQBPZOBK-DEOSSOPVSA-N 1 0 388.559 4.090 20 0 GIADRO CC(C)OC(=O)C[C@@H]([NH2+]Cc1ccc(C(=O)N2CCCC2)cc1)c1ccccc1 ZINC000181835296 822011822 /nfs/dbraw/zinc/01/18/22/822011822.db2.gz XSJXTXSHQGPERR-JOCHJYFZSA-N 1 0 394.515 4.095 20 0 GIADRO CC[NH+](CC)CCn1ccc2cc(NC(=O)CCc3cncc(F)c3)ccc21 ZINC000181844380 822014988 /nfs/dbraw/zinc/01/49/88/822014988.db2.gz HJPDDOVSEXJPGW-UHFFFAOYSA-N 1 0 382.483 4.089 20 0 GIADRO C[C@H]([NH2+]CC(=O)NC1(c2ccccc2)CCC1)c1cccc(N2CCCC2)c1 ZINC000181855517 822017460 /nfs/dbraw/zinc/01/74/60/822017460.db2.gz QEQCCEZTAFFLPV-IBGZPJMESA-N 1 0 377.532 4.133 20 0 GIADRO Cc1ccc(CN(C(=O)C[NH2+][C@@H](C)c2cccc(N3CCCC3)c2)C2CC2)o1 ZINC000181855567 822017603 /nfs/dbraw/zinc/01/76/03/822017603.db2.gz YBIRCQDVXCDJNF-SFHVURJKSA-N 1 0 381.520 4.030 20 0 GIADRO CC(C)OCCCCNC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000181857920 822018105 /nfs/dbraw/zinc/01/81/05/822018105.db2.gz JVWNKZBKCUQTCI-GOSISDBHSA-N 1 0 381.586 4.026 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N1CCSc2ccccc21)c1cccc(N2CCCC2)c1 ZINC000181864347 822020082 /nfs/dbraw/zinc/02/00/82/822020082.db2.gz KKXKVVAVAJTFNP-QGZVFWFLSA-N 1 0 381.545 4.076 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)C(F)F)cc1)c1cccc(N2CCCC2)c1 ZINC000181863732 822020178 /nfs/dbraw/zinc/02/01/78/822020178.db2.gz GEZSDWRIDRCFRE-HNNXBMFYSA-N 1 0 394.487 4.134 20 0 GIADRO CC[C@@H]([NH2+][C@@H](C)c1cccc(N2CCCC2)c1)C(=O)Nc1ccc(OC)cc1 ZINC000181870014 822021735 /nfs/dbraw/zinc/02/17/35/822021735.db2.gz PFAHJZMNWZJHQJ-HTAPYJJXSA-N 1 0 381.520 4.363 20 0 GIADRO CC(C)OCCCCNC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000181883172 822025629 /nfs/dbraw/zinc/02/56/29/822025629.db2.gz PRCZNZJTHUNLEQ-UHFFFAOYSA-N 1 0 375.557 4.067 20 0 GIADRO COc1ccc([C@H](C[NH2+][C@H](C)c2ccc(NC(C)=O)cc2)N2CCCC2)cc1 ZINC000181917754 822036171 /nfs/dbraw/zinc/03/61/71/822036171.db2.gz GOEQXSXQVYFCPA-HXOBKFHXSA-N 1 0 381.520 4.141 20 0 GIADRO CS(=O)(=O)c1ccc([C@@H](O)C[NH2+][C@@H](CC2CCCC2)c2ccccc2)cc1 ZINC000181941881 822041731 /nfs/dbraw/zinc/04/17/31/822041731.db2.gz GPFQMHLTRHVQGF-VXKWHMMOSA-N 1 0 387.545 4.035 20 0 GIADRO COc1cccc2cc([C@H](C)[NH2+]CCCC(=O)N3Cc4ccccc4C3)oc21 ZINC000181949939 822043070 /nfs/dbraw/zinc/04/30/70/822043070.db2.gz CLGXDEXWEDLOOT-INIZCTEOSA-N 1 0 378.472 4.415 20 0 GIADRO CC(=O)Nc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(NC(=O)NC3CC3)cc2)cc1 ZINC000181954432 822044424 /nfs/dbraw/zinc/04/44/24/822044424.db2.gz UTTQCRJRXCCXCK-HUUCEWRRSA-N 1 0 380.492 4.341 20 0 GIADRO CC(=O)Nc1ccc([C@H](C)[NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)cc1 ZINC000181968422 822048508 /nfs/dbraw/zinc/04/85/08/822048508.db2.gz IFNKWSYUMVNXHY-HNNXBMFYSA-N 1 0 387.474 4.238 20 0 GIADRO Cc1cccc(Cl)c1NC(=O)C[NH2+][C@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000181983578 822052780 /nfs/dbraw/zinc/05/27/80/822052780.db2.gz LWFCMJIGIAWWMU-FQEVSTJZSA-N 1 0 388.895 4.345 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1cnn(CCC(F)(F)F)c1 ZINC000181988717 822055289 /nfs/dbraw/zinc/05/52/89/822055289.db2.gz UWIITXDYYMBANQ-UHFFFAOYSA-N 1 0 380.414 4.074 20 0 GIADRO C[C@H]([NH2+]CCOc1cccc(Br)c1)c1ccc(OCC#N)cc1 ZINC000182001299 822058425 /nfs/dbraw/zinc/05/84/25/822058425.db2.gz VOUNGJAEOQZLSI-AWEZNQCLSA-N 1 0 375.266 4.081 20 0 GIADRO C[C@H]([NH2+]CCCNC(=O)C1CCC1)c1cc2cc(Br)ccc2o1 ZINC000182003645 822059480 /nfs/dbraw/zinc/05/94/80/822059480.db2.gz QOFCFWAMMGPZME-LBPRGKRZSA-N 1 0 379.298 4.152 20 0 GIADRO CCOC(=O)c1oc2ccccc2c1C[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000182008682 822060514 /nfs/dbraw/zinc/06/05/14/822060514.db2.gz NZPAFIDIEZPSNU-HNNXBMFYSA-N 1 0 390.443 4.041 20 0 GIADRO CC(C)S(=O)(=O)CCC[NH2+][C@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000182016996 822063726 /nfs/dbraw/zinc/06/37/26/822063726.db2.gz OLGOUHRYSAORAR-QGZVFWFLSA-N 1 0 393.524 4.269 20 0 GIADRO CC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)C1 ZINC000182025900 822066618 /nfs/dbraw/zinc/06/66/18/822066618.db2.gz KTXNUPCEMYPMKB-OAHLLOKOSA-N 1 0 380.410 4.314 20 0 GIADRO CCC[C@@H]([NH2+][C@@H](C)c1ccc(NC(C)=O)cc1)C(=O)N1CCc2sccc2C1 ZINC000182050817 822074173 /nfs/dbraw/zinc/07/41/73/822074173.db2.gz ZUPFQJPKHUDQHO-MGPUTAFESA-N 1 0 399.560 4.111 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)c2ccc(C(F)(F)F)cc2O)CC1 ZINC000182051838 822074432 /nfs/dbraw/zinc/07/44/32/822074432.db2.gz SUSKKXAKSZDANA-UHFFFAOYSA-N 1 0 392.421 4.148 20 0 GIADRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2sc(-c3ccc(F)c(F)c3)nc2C)C1 ZINC000182059236 822077836 /nfs/dbraw/zinc/07/78/36/822077836.db2.gz QFOISOIIDJOZDU-CQSZACIVSA-N 1 0 393.503 4.201 20 0 GIADRO CC[C@H](C)c1ccccc1OCC(=O)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC000182060693 822078268 /nfs/dbraw/zinc/07/82/68/822078268.db2.gz LYQPVEKFXLKSQS-SFHVURJKSA-N 1 0 396.531 4.174 20 0 GIADRO CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H](C)c1cc2cccc(OC)c2o1 ZINC000182065769 822079590 /nfs/dbraw/zinc/07/95/90/822079590.db2.gz GYQDGEIBDUQREV-NVXWUHKLSA-N 1 0 387.501 4.345 20 0 GIADRO Cc1cccc(COc2ccc([C@@H](C)[NH2+]Cc3cc(=O)n4ccccc4n3)cc2)c1 ZINC000182068647 822080548 /nfs/dbraw/zinc/08/05/48/822080548.db2.gz CJHHMIKOFATKDE-LJQANCHMSA-N 1 0 399.494 4.433 20 0 GIADRO CCCOc1ccc(/C=C/C(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000182068518 822080782 /nfs/dbraw/zinc/08/07/82/822080782.db2.gz HUQKKJXOHLAWGI-FMIVXFBMSA-N 1 0 394.515 4.084 20 0 GIADRO COc1cccc([C@H](O)C[NH2+]C2CCC(O)(c3ccc(C(C)C)cc3)CC2)c1 ZINC000182076268 822083246 /nfs/dbraw/zinc/08/32/46/822083246.db2.gz XUIRXJWPPWVGPC-SHSGKGFPSA-N 1 0 383.532 4.272 20 0 GIADRO CC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CCCN(Cc3c(F)cccc3F)C2)cc1 ZINC000182076051 822083254 /nfs/dbraw/zinc/08/32/54/822083254.db2.gz OEVNDXMQIJONBN-KXBFYZLASA-N 1 0 387.474 4.238 20 0 GIADRO COc1cc(Oc2ccccc2)ccc1NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000182086051 822087596 /nfs/dbraw/zinc/08/75/96/822087596.db2.gz ZHEDXFGYOTZBDG-SFHVURJKSA-N 1 0 395.503 4.437 20 0 GIADRO C[S@@](=O)C[C@@H]([NH2+]Cc1ccc(Cl)c(Br)c1)c1ccccc1 ZINC000182103949 822094758 /nfs/dbraw/zinc/09/47/58/822094758.db2.gz WWCWVFUIEUKCBM-IIBYNOLFSA-N 1 0 386.742 4.312 20 0 GIADRO Cn1cnnc1C1CC[NH+](Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)CC1 ZINC000182107595 822096745 /nfs/dbraw/zinc/09/67/45/822096745.db2.gz MYCPGBHMUUPFRR-UHFFFAOYSA-N 1 0 390.409 4.474 20 0 GIADRO Cc1nc(-c2ccccc2)sc1NC(=O)c1ccccc1OCC[NH+](C)C ZINC000182115402 822100014 /nfs/dbraw/zinc/10/00/14/822100014.db2.gz ZBYCAGPSLKXYQV-UHFFFAOYSA-N 1 0 381.501 4.311 20 0 GIADRO O=C(c1ccc(C[NH2+][C@H]2CCCOc3cc(F)ccc32)cc1)N1CCCCC1 ZINC000182127540 822106974 /nfs/dbraw/zinc/10/69/74/822106974.db2.gz FLOQYQJTYXBRKN-NRFANRHFSA-N 1 0 382.479 4.455 20 0 GIADRO CC(=O)Nc1ccc([C@H](C)[NH2+]CCCc2nc(-c3ccncc3)cs2)cc1 ZINC000182137303 822112013 /nfs/dbraw/zinc/11/20/13/822112013.db2.gz CWQUCQOKOBSZDH-HNNXBMFYSA-N 1 0 380.517 4.447 20 0 GIADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)N[C@H]1CCCOc2c(F)cccc21 ZINC000182147470 822117884 /nfs/dbraw/zinc/11/78/84/822117884.db2.gz BJSGVPLDUUTFEZ-FQEVSTJZSA-N 1 0 389.515 4.136 20 0 GIADRO CCCC[C@@H]([NH2+]CC(=O)Nc1cccc(NC(C)=O)c1)c1ccc(OC)cc1 ZINC000182150735 822119173 /nfs/dbraw/zinc/11/91/73/822119173.db2.gz HQSNCBUOFMCURN-OAQYLSRUSA-N 1 0 383.492 4.113 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1ccc2c(c1)OCCCO2 ZINC000182160617 822123895 /nfs/dbraw/zinc/12/38/95/822123895.db2.gz LAANYDXRQATKSX-WMHILYHISA-N 1 0 375.415 4.307 20 0 GIADRO C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1ccc2c(c1)OCCCO2 ZINC000182160661 822124015 /nfs/dbraw/zinc/12/40/15/822124015.db2.gz LAANYDXRQATKSX-LTBCBRHQSA-N 1 0 375.415 4.307 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1cccc(N2CCOC2=O)c1 ZINC000182163401 822125467 /nfs/dbraw/zinc/12/54/67/822125467.db2.gz JCIIAGNUCPGFKD-SMHULIPUSA-N 1 0 388.414 4.102 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCCOc2cc(Cl)ccc21)c1ccc(S(C)(=O)=O)cc1 ZINC000182169477 822129005 /nfs/dbraw/zinc/12/90/05/822129005.db2.gz ZTZFQYSOYUQBSB-FZKQIMNGSA-N 1 0 379.909 4.308 20 0 GIADRO CCc1nn(C)c(CC)c1C[NH2+]CC1(c2ccccc2Cl)CCOCC1 ZINC000182185800 822137456 /nfs/dbraw/zinc/13/74/56/822137456.db2.gz BEAGSJUPJVRZFK-UHFFFAOYSA-N 1 0 375.944 4.036 20 0 GIADRO Cc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000182186823 822138039 /nfs/dbraw/zinc/13/80/39/822138039.db2.gz XPIQPALBRXNHFM-IRLDBZIGSA-N 1 0 378.516 4.032 20 0 GIADRO CC(=O)Nc1ccc([C@H](C)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)cc1 ZINC000182190855 822140028 /nfs/dbraw/zinc/14/00/28/822140028.db2.gz WYJKEWAOAFMUDF-SFHVURJKSA-N 1 0 392.547 4.350 20 0 GIADRO COCc1ccccc1CNC(=O)C[NH2+]C(C)(c1ccccc1)c1ccccc1 ZINC000182198602 822143005 /nfs/dbraw/zinc/14/30/05/822143005.db2.gz XQSUCTULQJXFER-UHFFFAOYSA-N 1 0 388.511 4.003 20 0 GIADRO OCC1CC[NH+](Cc2cccc(N[C@H]3CCCOc4cc(F)ccc43)c2)CC1 ZINC000182203186 822145326 /nfs/dbraw/zinc/14/53/26/822145326.db2.gz SYUCQFGHPCEGNZ-QFIPXVFZSA-N 1 0 384.495 4.356 20 0 GIADRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000182245427 822165691 /nfs/dbraw/zinc/16/56/91/822165691.db2.gz BLKPPTYGZQIHRP-UHFFFAOYSA-N 1 0 392.421 4.148 20 0 GIADRO C[NH+](C)CCOc1ccccc1C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000182252824 822169720 /nfs/dbraw/zinc/16/97/20/822169720.db2.gz QTEDSAPUMZGKOA-UHFFFAOYSA-N 1 0 384.810 4.134 20 0 GIADRO C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1nc(-c2ccccc2)cs1 ZINC000182262076 822175239 /nfs/dbraw/zinc/17/52/39/822175239.db2.gz AJHYNEVYVFEYIK-UTKZUKDTSA-N 1 0 393.556 4.228 20 0 GIADRO Cc1ccccc1-n1nccc1NC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000182300777 822193257 /nfs/dbraw/zinc/19/32/57/822193257.db2.gz JTFVMUPSUJRXQG-HXUWFJFHSA-N 1 0 395.551 4.157 20 0 GIADRO Cc1n[nH]c(C)c1[C@H](C)C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000182329926 822204251 /nfs/dbraw/zinc/20/42/51/822204251.db2.gz MXJTZPPDUFUOIC-INIZCTEOSA-N 1 0 382.552 4.211 20 0 GIADRO CC[C@H]([NH2+]Cc1nc(=O)c2c([nH]1)sc(C)c2-c1ccc(C)cc1)[C@H]1CCCO1 ZINC000182334738 822205354 /nfs/dbraw/zinc/20/53/54/822205354.db2.gz ZSBCWNAOWFWYRC-DLBZAZTESA-N 1 0 397.544 4.316 20 0 GIADRO Cc1ccc([C@H](C)[NH2+]CC(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)cc1 ZINC000182336372 822206524 /nfs/dbraw/zinc/20/65/24/822206524.db2.gz MAYWXEPSAYGVOG-QFBILLFUSA-N 1 0 377.444 4.210 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1cccn1C1CCCC1 ZINC000182353819 822212068 /nfs/dbraw/zinc/21/20/68/822212068.db2.gz YTOQIIXFZMUSHF-UHFFFAOYSA-N 1 0 381.520 4.060 20 0 GIADRO O=C(Nc1cccnc1)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000182354451 822212211 /nfs/dbraw/zinc/21/22/11/822212211.db2.gz WIRJUNXPQYSJOK-UHFFFAOYSA-N 1 0 379.291 4.175 20 0 GIADRO Cc1ccccc1SCC(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000182357859 822214062 /nfs/dbraw/zinc/21/40/62/822214062.db2.gz FZNMDDXPERWXJJ-UHFFFAOYSA-N 1 0 383.561 4.256 20 0 GIADRO Cc1nc2ccccc2cc1C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000182364503 822216339 /nfs/dbraw/zinc/21/63/39/822216339.db2.gz DCKYSGUZZNADMN-UHFFFAOYSA-N 1 0 388.515 4.326 20 0 GIADRO CN(C)c1nc2sc(C(=O)N3C[C@H]4CCC[N@@H+]4Cc4ccccc43)cc2s1 ZINC000182363595 822216388 /nfs/dbraw/zinc/21/63/88/822216388.db2.gz WDVHIIDZBIUJOU-CQSZACIVSA-N 1 0 398.557 4.049 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000182451009 822246947 /nfs/dbraw/zinc/24/69/47/822246947.db2.gz IXXCEURFBRINCV-WDSOQIARSA-N 1 0 398.576 4.305 20 0 GIADRO C[C@H]([NH2+]CC(=O)N1CCC[C@@H](C(F)(F)F)C1)c1ccc(C(F)(F)F)cc1 ZINC000182452661 822247564 /nfs/dbraw/zinc/24/75/64/822247564.db2.gz RZEYRMFENOCEID-SMDDNHRTSA-N 1 0 382.348 4.157 20 0 GIADRO COCc1cc([C@H](C)[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)ccc1OC ZINC000177939149 822249508 /nfs/dbraw/zinc/24/95/08/822249508.db2.gz RUBCBGUNZAMRDK-NPMXOYFQSA-N 1 0 383.488 4.415 20 0 GIADRO COCc1cc([C@H](C)[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)ccc1OC ZINC000177939176 822249519 /nfs/dbraw/zinc/24/95/19/822249519.db2.gz RUBCBGUNZAMRDK-WNSKOXEYSA-N 1 0 383.488 4.415 20 0 GIADRO O=S(=O)(CC[NH2+][C@H]1CCSc2c(F)cccc21)c1ccc(Cl)cc1 ZINC000177970108 822262533 /nfs/dbraw/zinc/26/25/33/822262533.db2.gz ZVABCVUGNDGBTI-INIZCTEOSA-N 1 0 385.913 4.080 20 0 GIADRO CC(=O)c1ccc(NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1Cl ZINC000182499182 822268986 /nfs/dbraw/zinc/26/89/86/822268986.db2.gz BKNMONPUDWJHQP-UHFFFAOYSA-N 1 0 385.895 4.460 20 0 GIADRO CC(=O)c1ccc(NC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1Cl ZINC000182499235 822269772 /nfs/dbraw/zinc/26/97/72/822269772.db2.gz UVVPHGBOUHYCLI-DZGCQCFKSA-N 1 0 377.916 4.317 20 0 GIADRO Cc1nc(C)c(C[N@@H+]2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)s1 ZINC000178000943 822277406 /nfs/dbraw/zinc/27/74/06/822277406.db2.gz QISIJVHFNLVMGO-CYBMUJFWSA-N 1 0 395.454 4.201 20 0 GIADRO O[C@@H](CCc1ccccc1)C[N@@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000182516562 822278135 /nfs/dbraw/zinc/27/81/35/822278135.db2.gz RWBBNOSMDUVGJU-FPOVZHCZSA-N 1 0 395.478 4.049 20 0 GIADRO CCOc1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000182516727 822278185 /nfs/dbraw/zinc/27/81/85/822278185.db2.gz FGNAZBPUPIVXLN-ZDUSSCGKSA-N 1 0 382.382 4.273 20 0 GIADRO C[C@H]([NH2+]CC(=O)N1CCC[C@@H](C(F)(F)F)C1)c1ccc(OC(F)(F)F)cc1 ZINC000182517591 822278924 /nfs/dbraw/zinc/27/89/24/822278924.db2.gz GNIKPSNAITYNIN-WCQYABFASA-N 1 0 398.347 4.037 20 0 GIADRO CCc1nc([C@H](C)NC(=O)N2CCC(CCC[NH+](CC)CC)CC2)cs1 ZINC000182520582 822280046 /nfs/dbraw/zinc/28/00/46/822280046.db2.gz SPQWADJLWURJRI-INIZCTEOSA-N 1 0 380.602 4.310 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+]CC(=O)N(Cc2ccccc2)C(C)(C)C)c1 ZINC000182531803 822286492 /nfs/dbraw/zinc/28/64/92/822286492.db2.gz QFHSADHQQWRPHQ-KRWDZBQOSA-N 1 0 381.520 4.123 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(COCCc3ccccc3)c2)C1 ZINC000178024030 822287605 /nfs/dbraw/zinc/28/76/05/822287605.db2.gz OKGCZBOIEYIJSH-QFIPXVFZSA-N 1 0 395.547 4.251 20 0 GIADRO COc1cc(NC2CC[NH+](CCCOCc3ccccc3)CC2)cc(OC)c1 ZINC000182539174 822290946 /nfs/dbraw/zinc/29/09/46/822290946.db2.gz IXJMILRBKBLMBM-UHFFFAOYSA-N 1 0 384.520 4.187 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+]CC(=O)N[C@H](c2cccs2)C(C)(C)C)c1 ZINC000182546102 822294697 /nfs/dbraw/zinc/29/46/97/822294697.db2.gz ZTIKQHIMQWKOKE-VBKZILBWSA-N 1 0 387.549 4.261 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]Cc1cccc(OCC(N)=O)c1 ZINC000178044942 822297305 /nfs/dbraw/zinc/29/73/05/822297305.db2.gz JNKJXDIPAGWVMY-HNNXBMFYSA-N 1 0 395.528 4.142 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CC(=O)N[C@@H](CC(C)C)c2ccccc2)c1 ZINC000182552618 822298261 /nfs/dbraw/zinc/29/82/61/822298261.db2.gz QTYURTGMTGSYPR-VGSWGCGISA-N 1 0 381.520 4.199 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]CCc2csc3ccccc23)c1 ZINC000178046972 822298515 /nfs/dbraw/zinc/29/85/15/822298515.db2.gz LUEBFTHMQUFCPC-OAHLLOKOSA-N 1 0 398.528 4.468 20 0 GIADRO Fc1cccc(C[C@H]([NH2+]Cc2cccnc2-n2cncn2)c2cccc(F)c2)c1 ZINC000178048619 822299929 /nfs/dbraw/zinc/29/99/29/822299929.db2.gz BZOVAIRPGYKFBF-NRFANRHFSA-N 1 0 391.425 4.014 20 0 GIADRO C[C@H]([NH2+]CC(=O)N1C[C@H](C)C[C@H](C)C1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000182556974 822300631 /nfs/dbraw/zinc/30/06/31/822300631.db2.gz RCBOMRQCAIBBMJ-OTWHNJEPSA-N 1 0 393.531 4.094 20 0 GIADRO C[C@H](NC(=O)N[C@@H]1CCOc2c(Cl)cccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182557499 822301352 /nfs/dbraw/zinc/30/13/52/822301352.db2.gz FDLFDJUQFAFFLY-YZVOILCLSA-N 1 0 391.943 4.116 20 0 GIADRO C[C@H]([NH2+]CC(=O)NC1CCC(C)CC1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000182559765 822302504 /nfs/dbraw/zinc/30/25/04/822302504.db2.gz IOLQLONIDDMZLC-WBTXTPOCSA-N 1 0 393.531 4.284 20 0 GIADRO C[C@H](NC(=O)NC[C@@H]1CCCO[C@@H]1c1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182561348 822302861 /nfs/dbraw/zinc/30/28/61/822302861.db2.gz GHWDSODWURUESR-VXPBHUBDSA-N 1 0 399.579 4.107 20 0 GIADRO Cc1cccc(COc2ccc([C@@H](C)[NH2+]Cc3cccnc3-n3cncn3)cc2)c1 ZINC000178058243 822304351 /nfs/dbraw/zinc/30/43/51/822304351.db2.gz PZDPYQLVYGPUOG-LJQANCHMSA-N 1 0 399.498 4.401 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)N2CCCCC[C@@H]2c2c(C)n[nH]c2C)c1 ZINC000182570350 822307526 /nfs/dbraw/zinc/30/75/26/822307526.db2.gz AFCXDUFQNNVUHR-OAQYLSRUSA-N 1 0 397.567 4.305 20 0 GIADRO CC[C@H]([NH2+]CC(=O)NC[C@H]1CCN(c2ccccc2)C1)c1cccc(Cl)c1 ZINC000182584245 822312006 /nfs/dbraw/zinc/31/20/06/822312006.db2.gz NTDPNQJBFDUJFM-UTKZUKDTSA-N 1 0 385.939 4.023 20 0 GIADRO CC[C@@H]([NH2+]CC(=O)NC[C@@H]1CCN(c2ccccc2)C1)c1cccc(Cl)c1 ZINC000182584224 822312057 /nfs/dbraw/zinc/31/20/57/822312057.db2.gz NTDPNQJBFDUJFM-LAUBAEHRSA-N 1 0 385.939 4.023 20 0 GIADRO C[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1Cl)c1ccc(N2CCOC2=O)cc1 ZINC000178088108 822314585 /nfs/dbraw/zinc/31/45/85/822314585.db2.gz UOBYGDOEICNRSJ-XIKOKIGWSA-N 1 0 395.286 4.334 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl)c1ccc2c(c1)CCC(=O)N2 ZINC000178088566 822314764 /nfs/dbraw/zinc/31/47/64/822314764.db2.gz BQHUKBJEQNTDTL-ADLMAVQZSA-N 1 0 379.287 4.262 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@H]2CCc3c2cccc3Cl)ccc1S(C)(=O)=O ZINC000178091828 822315530 /nfs/dbraw/zinc/31/55/30/822315530.db2.gz PFHWJOPNDFYNBC-PXAZEXFGSA-N 1 0 379.909 4.090 20 0 GIADRO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCc3c2cccc3Cl)c(OC)c1 ZINC000178090834 822315551 /nfs/dbraw/zinc/31/55/51/822315551.db2.gz RAJUFSUHRQSUPT-UGSOOPFHSA-N 1 0 388.895 4.351 20 0 GIADRO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1cc(OC)ccc1OC)c1cccc(Cl)c1 ZINC000182594892 822316012 /nfs/dbraw/zinc/31/60/12/822316012.db2.gz YQBPOBKRFYUYAX-CXAGYDPISA-N 1 0 376.884 4.425 20 0 GIADRO CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+][C@H]2CCCc3cc(F)ccc32)cc1 ZINC000182599687 822318317 /nfs/dbraw/zinc/31/83/17/822318317.db2.gz FZTKUMUEMONUCY-NRFANRHFSA-N 1 0 390.524 4.022 20 0 GIADRO CSCCCCCCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000182612302 822322404 /nfs/dbraw/zinc/32/24/04/822322404.db2.gz BACKCNNRHIIFKU-SEJPIABJSA-N 1 0 389.609 4.405 20 0 GIADRO C[C@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000178111894 822323960 /nfs/dbraw/zinc/32/39/60/822323960.db2.gz GLUBNLQHURTRKN-YPMHNXCESA-N 1 0 398.290 4.189 20 0 GIADRO C[C@@H](Nc1ccc(N2CC[NH+](C)CC2)cc1)c1ccc(F)cc1OC(F)F ZINC000182630792 822330916 /nfs/dbraw/zinc/33/09/16/822330916.db2.gz RDCYRHRNYVNHAI-CQSZACIVSA-N 1 0 379.426 4.352 20 0 GIADRO CCOc1ccc(C(=O)N2CCC([NH2+][C@H]3CCCc4cc(F)ccc43)CC2)cc1 ZINC000182636631 822333348 /nfs/dbraw/zinc/33/33/48/822333348.db2.gz ZWJYMBDGRPSKFX-QHCPKHFHSA-N 1 0 396.506 4.496 20 0 GIADRO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccc(OC(F)(F)F)cc1 ZINC000178149161 822333728 /nfs/dbraw/zinc/33/37/28/822333728.db2.gz SNSVSNKTRBBPPA-UZLBHIALSA-N 1 0 393.453 4.023 20 0 GIADRO CCOc1cccc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2Br)c1 ZINC000178167934 822339291 /nfs/dbraw/zinc/33/92/91/822339291.db2.gz IRCDOUNIQRXDCX-CYBMUJFWSA-N 1 0 377.282 4.137 20 0 GIADRO C[C@H]([NH2+]CCCSc1ccc(F)cc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000178169308 822340106 /nfs/dbraw/zinc/34/01/06/822340106.db2.gz URPXCHLFMAYQTP-AWEZNQCLSA-N 1 0 382.526 4.030 20 0 GIADRO C[C@@H]([NH2+]CCNC(=O)c1ccccc1Cl)c1ccc(F)cc1OC(F)F ZINC000178172618 822340867 /nfs/dbraw/zinc/34/08/67/822340867.db2.gz JJXZUGDBWUGURD-LLVKDONJSA-N 1 0 386.801 4.161 20 0 GIADRO CC[C@@H]([NH2+]CCNC(=O)c1ccccc1Cl)c1ccc(OC(F)F)cc1 ZINC000178172148 822341048 /nfs/dbraw/zinc/34/10/48/822341048.db2.gz OBRLNHUNWUDNRP-QGZVFWFLSA-N 1 0 382.838 4.412 20 0 GIADRO C[C@H]([NH2+][C@H]1CC(C)(C)c2ccccc21)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000178180191 822344371 /nfs/dbraw/zinc/34/43/71/822344371.db2.gz HYWODXVRUSOLIS-AOMKIAJQSA-N 1 0 378.516 4.417 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1)c1ccc2ccccc2n1 ZINC000178180448 822344382 /nfs/dbraw/zinc/34/43/82/822344382.db2.gz SWJZMXYAZADGID-DLBZAZTESA-N 1 0 389.499 4.304 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)c1cc(F)ccc1OC)c1ccccc1OCC(=O)N(C)C ZINC000178187300 822346684 /nfs/dbraw/zinc/34/66/84/822346684.db2.gz XJCIGOQRGWDCHL-KXBFYZLASA-N 1 0 388.483 4.103 20 0 GIADRO COc1ccccc1-c1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3ncccn3)C2)cc1 ZINC000178191748 822348417 /nfs/dbraw/zinc/34/84/17/822348417.db2.gz PDXDBUHWQOZVKT-NQIIRXRSSA-N 1 0 388.515 4.472 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)C1(c2ccc(F)cc2F)CCC1 ZINC000182678767 822349097 /nfs/dbraw/zinc/34/90/97/822349097.db2.gz GJUIKCNBEVSKGP-UHFFFAOYSA-N 1 0 384.470 4.167 20 0 GIADRO C[C@@H]([NH2+]C[C@H](c1ccc(F)cc1)N1CCOCC1)c1ccc2ccccc2n1 ZINC000178197450 822349415 /nfs/dbraw/zinc/34/94/15/822349415.db2.gz OJSFXWXCSSWYHE-UZUQRXQVSA-N 1 0 379.479 4.098 20 0 GIADRO C[C@H](CCNC(=O)N(Cc1ccco1)Cc1cccs1)[NH+]1CCCCC1 ZINC000182681197 822350121 /nfs/dbraw/zinc/35/01/21/822350121.db2.gz SGROVKONAJSGON-QGZVFWFLSA-N 1 0 375.538 4.317 20 0 GIADRO C[C@H](NC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1)c1cccc(O)c1 ZINC000178200955 822350200 /nfs/dbraw/zinc/35/02/00/822350200.db2.gz DKAPFKJYQDLWMV-KRWDZBQOSA-N 1 0 383.492 4.140 20 0 GIADRO Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)NCCC[NH+](C(C)C)C(C)C ZINC000182683666 822350506 /nfs/dbraw/zinc/35/05/06/822350506.db2.gz WBGWZEHOPHVJBL-LJQANCHMSA-N 1 0 377.577 4.162 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1F)c1ccccc1C(F)(F)F ZINC000178202412 822350873 /nfs/dbraw/zinc/35/08/73/822350873.db2.gz WATPYUSVWBEREN-SECBINFHSA-N 1 0 376.300 4.412 20 0 GIADRO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CC(=O)Nc1ccc(F)c(F)c1F ZINC000178202319 822351006 /nfs/dbraw/zinc/35/10/06/822351006.db2.gz YVBXQJZLDPMMQF-MNOVXSKESA-N 1 0 393.434 4.434 20 0 GIADRO CC[C@@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1F)c1ccc(OC(F)F)cc1 ZINC000178203255 822351542 /nfs/dbraw/zinc/35/15/42/822351542.db2.gz GVDVIQTUYSSRIG-CYBMUJFWSA-N 1 0 388.336 4.385 20 0 GIADRO Cc1[nH]c2ccccc2c1C(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000178224891 822356041 /nfs/dbraw/zinc/35/60/41/822356041.db2.gz RPUZYDSFTABDPR-HXUWFJFHSA-N 1 0 389.499 4.194 20 0 GIADRO CC(C)c1nc(C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)nn1-c1ccccc1Cl ZINC000178228790 822356327 /nfs/dbraw/zinc/35/63/27/822356327.db2.gz KGDSJIXFHFXHOI-CYBMUJFWSA-N 1 0 383.883 4.316 20 0 GIADRO COc1ccccc1N1CCC([NH2+][C@@H](C)c2cc(OC)c(OC)cc2C)CC1 ZINC000178229129 822356405 /nfs/dbraw/zinc/35/64/05/822356405.db2.gz KGFSBFOJIHAKLM-KRWDZBQOSA-N 1 0 384.520 4.340 20 0 GIADRO C[C@H]([NH3+])c1ccc(NC(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)cc1 ZINC000178228330 822356438 /nfs/dbraw/zinc/35/64/38/822356438.db2.gz CDMHEMMFKLJBTK-XHDPSFHLSA-N 1 0 392.286 4.005 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1[C@@H](C)[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000178231267 822356821 /nfs/dbraw/zinc/35/68/21/822356821.db2.gz TWWVDSXGQNENOC-GOSISDBHSA-N 1 0 389.547 4.199 20 0 GIADRO COc1ccccc1N1CCC([NH2+][C@H](C)c2ccc(-n3ccnc3)cc2)CC1 ZINC000178231402 822356890 /nfs/dbraw/zinc/35/68/90/822356890.db2.gz PDVRFPDVLUXFOA-GOSISDBHSA-N 1 0 376.504 4.201 20 0 GIADRO CN(C)C(=O)Sc1cccc(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC000178234004 822357080 /nfs/dbraw/zinc/35/70/80/822357080.db2.gz JCHCKXJIPRSZGU-HNNXBMFYSA-N 1 0 375.538 4.053 20 0 GIADRO COc1cc(OC)c([C@@H](C)[NH2+]C2CCN(Cc3ccncc3)CC2)cc1Cl ZINC000178234650 822357205 /nfs/dbraw/zinc/35/72/05/822357205.db2.gz NIBBCPFAWMEXED-OAHLLOKOSA-N 1 0 389.927 4.067 20 0 GIADRO FC(F)(F)Oc1ccc2c(c1)[C@H]([NH2+]C1CCN(Cc3ccncc3)CC1)CC2 ZINC000178235738 822357256 /nfs/dbraw/zinc/35/72/56/822357256.db2.gz JBUXOSAISRGTHK-HXUWFJFHSA-N 1 0 391.437 4.222 20 0 GIADRO Cc1ccc(CCCC(=O)N2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000178234302 822357283 /nfs/dbraw/zinc/35/72/83/822357283.db2.gz YVYAPSGMUTXXEC-SFTDATJTSA-N 1 0 386.580 4.056 20 0 GIADRO C[C@@H]([NH3+])c1ccc(NC(=O)CCCOc2ccccc2Br)cc1 ZINC000178236967 822357377 /nfs/dbraw/zinc/35/73/77/822357377.db2.gz CVPMIRAEVXDOKW-CYBMUJFWSA-N 1 0 377.282 4.267 20 0 GIADRO CC(C)(C)[S@](=O)Cc1cccc(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC000178245386 822358256 /nfs/dbraw/zinc/35/82/56/822358256.db2.gz NDWGTUFKUAROOC-XRHLQHRESA-N 1 0 390.593 4.327 20 0 GIADRO COc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCC[C@H](C(F)(F)F)C3)CC2)cc1 ZINC000045033990 822358609 /nfs/dbraw/zinc/35/86/09/822358609.db2.gz NEGICYHYVHUATH-MSOLQXFVSA-N 1 0 398.469 4.098 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+][C@@H]1CCCN(c2ccccc2)C1=O ZINC000178251856 822358837 /nfs/dbraw/zinc/35/88/37/822358837.db2.gz SBNYGWUSIPXEKL-HNAYVOBHSA-N 1 0 392.528 4.360 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(-n3ncc4ccccc43)cc2)[C@H](C)C1 ZINC000182732643 822359297 /nfs/dbraw/zinc/35/92/97/822359297.db2.gz FESJXEQBVPWFKO-UTKZUKDTSA-N 1 0 391.519 4.220 20 0 GIADRO CC(C)c1c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cnn1-c1ccccc1 ZINC000045042612 822359413 /nfs/dbraw/zinc/35/94/13/822359413.db2.gz GFSMMRLTRYDVOG-FQEVSTJZSA-N 1 0 388.515 4.000 20 0 GIADRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1ccccc1NC(=O)OCc1ccccc1 ZINC000182735615 822359727 /nfs/dbraw/zinc/35/97/27/822359727.db2.gz UMCHTFISNCRRIY-GOSISDBHSA-N 1 0 395.503 4.040 20 0 GIADRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)c2ccccc2OC)cc1 ZINC000178257012 822359822 /nfs/dbraw/zinc/35/98/22/822359822.db2.gz IZZBPMAGTZJFFY-IAGOWNOFSA-N 1 0 390.549 4.138 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)cnn1C(C)C ZINC000453419604 822360325 /nfs/dbraw/zinc/36/03/25/822360325.db2.gz VTCVLDAFSYWXFN-RYGJVYDSSA-N 1 0 394.485 4.453 20 0 GIADRO C[C@H](NC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182739254 822360368 /nfs/dbraw/zinc/36/03/68/822360368.db2.gz JTPYBWZCMBXIBR-ABSDTBQOSA-N 1 0 385.552 4.241 20 0 GIADRO CSc1cc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)ccc1NC(C)=O ZINC000045085679 822361887 /nfs/dbraw/zinc/36/18/87/822361887.db2.gz YDLRRFYHJLSECG-UHFFFAOYSA-N 1 0 383.517 4.215 20 0 GIADRO O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N1CC[NH+](C2CCCC2)CC1 ZINC000045085727 822361935 /nfs/dbraw/zinc/36/19/35/822361935.db2.gz NZWMEYJVFXUTJK-UHFFFAOYSA-N 1 0 387.911 4.014 20 0 GIADRO CC[C@H](C(=O)N1CCC([NH2+][C@H](C)c2ccc3c(c2)CCO3)CC1)c1ccccc1 ZINC000178274276 822362125 /nfs/dbraw/zinc/36/21/25/822362125.db2.gz BSADKGMGNKTACG-JPYJTQIMSA-N 1 0 392.543 4.457 20 0 GIADRO O=C([C@@H](Cc1ccccc1)[NH2+][C@H]1CCSc2c(F)cccc21)N1CCCC1 ZINC000178277299 822362289 /nfs/dbraw/zinc/36/22/89/822362289.db2.gz OGALISIVPOVAPU-VQTJNVASSA-N 1 0 384.520 4.186 20 0 GIADRO C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CC1CCOCC1 ZINC000178281257 822362700 /nfs/dbraw/zinc/36/27/00/822362700.db2.gz XGAOAFPEZHPJBS-NSHDSACASA-N 1 0 378.822 4.092 20 0 GIADRO C[NH+](C)C1CCN(C(=O)Nc2ccc3cc(Br)ccc3c2)CC1 ZINC000178288718 822363801 /nfs/dbraw/zinc/36/38/01/822363801.db2.gz GHQHZTVFQQKKEW-UHFFFAOYSA-N 1 0 376.298 4.160 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H](C)c1ccc(OC)c(F)c1 ZINC000045132582 822364897 /nfs/dbraw/zinc/36/48/97/822364897.db2.gz YKPSYKYFNFPGIJ-INIZCTEOSA-N 1 0 387.499 4.237 20 0 GIADRO CC[N@@H+](c1ccc(N[C@@H](C)c2cccc(S(=O)(=O)NC)c2)cc1)C(C)C ZINC000182771913 822365153 /nfs/dbraw/zinc/36/51/53/822365153.db2.gz RRUSEALECBQGQZ-INIZCTEOSA-N 1 0 375.538 4.003 20 0 GIADRO Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1cccnc1C ZINC000453455152 822366839 /nfs/dbraw/zinc/36/68/39/822366839.db2.gz UKNDKKXZRRWWCR-WBVHZDCISA-N 1 0 394.544 4.424 20 0 GIADRO CCn1c([C@H]2CCCCO2)nnc1N1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000453455198 822366920 /nfs/dbraw/zinc/36/69/20/822366920.db2.gz SBYIUUSZYSLYKL-HXUWFJFHSA-N 1 0 391.604 4.124 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccnc2C)cnn1-c1cccc(Cl)c1 ZINC000453458308 822368043 /nfs/dbraw/zinc/36/80/43/822368043.db2.gz VWLOMVSTSFGYJT-ZFWWWQNUSA-N 1 0 397.910 4.215 20 0 GIADRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccccc1C[NH+](CC)CC ZINC000045185014 822368497 /nfs/dbraw/zinc/36/84/97/822368497.db2.gz ATXNOPWXAHOBGS-UHFFFAOYSA-N 1 0 396.579 4.326 20 0 GIADRO COC[C@H](Nc1cccc(C[NH+]2CCSCC2)c1)c1ccc(F)c(F)c1 ZINC000182807008 822370895 /nfs/dbraw/zinc/37/08/95/822370895.db2.gz YXCPZBVRPVRNHW-FQEVSTJZSA-N 1 0 378.488 4.313 20 0 GIADRO COc1ccc(OC)c([C@@H](C)[NH2+][C@@H](C)c2ccc(OC)c(Cn3cccn3)c2)c1 ZINC000178357422 822370921 /nfs/dbraw/zinc/37/09/21/822370921.db2.gz OLPWVPCZRNCWEP-DLBZAZTESA-N 1 0 395.503 4.369 20 0 GIADRO CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@H](CO)Cc2ccc(C)c(C)c2)cc1 ZINC000453469208 822371448 /nfs/dbraw/zinc/37/14/48/822371448.db2.gz ZXWMEUQKTSUAIM-CVDCTZTESA-N 1 0 397.563 4.431 20 0 GIADRO FC(F)(F)CN1CCC([NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000178369195 822372007 /nfs/dbraw/zinc/37/20/07/822372007.db2.gz UNOXFXSSCUWYLF-OAHLLOKOSA-N 1 0 382.348 4.189 20 0 GIADRO Cc1cc(N2CCCC2)ccc1NC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182828718 822374309 /nfs/dbraw/zinc/37/43/09/822374309.db2.gz WWISBSNGMBVQOQ-OALUTQOASA-N 1 0 384.568 4.370 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1ccc(OCC(F)(F)F)cc1 ZINC000182829720 822374611 /nfs/dbraw/zinc/37/46/11/822374611.db2.gz MPCGRYZPFQFQOZ-BEFAXECRSA-N 1 0 379.426 4.345 20 0 GIADRO C[C@H](NC(=O)N1CCSC[C@@H]1c1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182832377 822374850 /nfs/dbraw/zinc/37/48/50/822374850.db2.gz VWROXEGPARYMOR-HFSMHLIXSA-N 1 0 387.593 4.139 20 0 GIADRO C[C@@H](NC(=O)c1ccccc1NC(=O)C(C)(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182840036 822376158 /nfs/dbraw/zinc/37/61/58/822376158.db2.gz VYXHVTUYPFZWKP-IAGOWNOFSA-N 1 0 385.552 4.054 20 0 GIADRO Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000178411145 822376707 /nfs/dbraw/zinc/37/67/07/822376707.db2.gz YYMHPTLQPJWTLD-CQSZACIVSA-N 1 0 379.460 4.071 20 0 GIADRO COc1cc(CN2CC[C@@H]([NH2+][C@@H](C)c3ccc4ccccc4n3)C2)cc(OC)c1 ZINC000178411813 822376759 /nfs/dbraw/zinc/37/67/59/822376759.db2.gz NIJGJWCBUXISLI-FXAWDEMLSA-N 1 0 391.515 4.177 20 0 GIADRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCc1ccc(Br)cc1 ZINC000178424402 822377830 /nfs/dbraw/zinc/37/78/30/822377830.db2.gz HITYHJMPBKRLAD-LBPRGKRZSA-N 1 0 396.716 4.047 20 0 GIADRO C[C@H](NC(=O)N(C)Cc1ccccc1C(F)(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182849580 822378466 /nfs/dbraw/zinc/37/84/66/822378466.db2.gz MSBGOZMJZDPNMC-JKSUJKDBSA-N 1 0 397.485 4.500 20 0 GIADRO CC(C)Cn1c(-c2ccoc2)nnc1N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000453496664 822378478 /nfs/dbraw/zinc/37/84/78/822378478.db2.gz VYMXBTFTOIJKGW-UHFFFAOYSA-N 1 0 399.461 4.047 20 0 GIADRO CC(C)c1ccc2cc(C(=O)Nc3ccccc3N3CC[NH+](C)CC3)[nH]c2c1 ZINC000045341088 822379443 /nfs/dbraw/zinc/37/94/43/822379443.db2.gz HHFDZZKPUOGBBU-UHFFFAOYSA-N 1 0 376.504 4.295 20 0 GIADRO COc1ccccc1[C@@H](O)C[NH2+][C@@H](C)c1cnn(-c2cccc(Cl)c2)c1C ZINC000178443733 822379580 /nfs/dbraw/zinc/37/95/80/822379580.db2.gz CSLVHYPZWOUIHU-XOBRGWDASA-N 1 0 385.895 4.227 20 0 GIADRO C[C@H]([NH2+][C@H]1CCSc2ccc(F)cc21)c1ccc(NS(C)(=O)=O)cc1 ZINC000178461340 822381271 /nfs/dbraw/zinc/38/12/71/822381271.db2.gz LBZHBAITMIFSSI-SJCJKPOMSA-N 1 0 380.510 4.085 20 0 GIADRO C[C@H]([NH2+][C@H]1CCCc2nc(-c3ccccc3F)sc21)C(=O)N1CCCCC1 ZINC000178464558 822381699 /nfs/dbraw/zinc/38/16/99/822381699.db2.gz FTNALJHZBYUWEE-YOEHRIQHSA-N 1 0 387.524 4.317 20 0 GIADRO CC[C@@H]([NH2+][C@H](C)c1cccc(N2CCCC2=O)c1)c1ccc2c(c1)OCCO2 ZINC000178479640 822383524 /nfs/dbraw/zinc/38/35/24/822383524.db2.gz ZHQQWRJHUPOUNN-OXQOHEQNSA-N 1 0 380.488 4.387 20 0 GIADRO C[C@H](NC(=O)N1CCSC2(CCCCC2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182874174 822383730 /nfs/dbraw/zinc/38/37/30/822383730.db2.gz YQSSZLDMBKCWPN-ZWKOTPCHSA-N 1 0 379.614 4.101 20 0 GIADRO CCSc1ccccc1[C@H](C)[NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000178487867 822384416 /nfs/dbraw/zinc/38/44/16/822384416.db2.gz MBYVYKICDFHROW-CVEARBPZSA-N 1 0 392.590 4.461 20 0 GIADRO C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)C1 ZINC000182879143 822384559 /nfs/dbraw/zinc/38/45/59/822384559.db2.gz PFIUDUGMQSLWGW-GCJKJVERSA-N 1 0 392.547 4.011 20 0 GIADRO CC(C)c1ccc([C@H](C)NC(=O)C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)cc1 ZINC000453569588 822385666 /nfs/dbraw/zinc/38/56/66/822385666.db2.gz CUYXRWOMOREAKF-AOMKIAJQSA-N 1 0 393.531 4.175 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CCCc2nc(C(C)C)no2)cc1Br ZINC000178512579 822386822 /nfs/dbraw/zinc/38/68/22/822386822.db2.gz KNOLJPVPADJBJY-GFCCVEGCSA-N 1 0 382.302 4.248 20 0 GIADRO c1ccc2c(c1)CCOC21CC[NH+](Cc2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000453575429 822386763 /nfs/dbraw/zinc/38/67/63/822386763.db2.gz NODKGLVJUFOGLP-HSZRJFAPSA-N 1 0 393.527 4.308 20 0 GIADRO O=C(Nc1ccc(Br)c(Cl)c1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000178515240 822387015 /nfs/dbraw/zinc/38/70/15/822387015.db2.gz FGTOCKHNMRWIDH-CYBMUJFWSA-N 1 0 386.721 4.195 20 0 GIADRO Cc1ccc(NC(=O)C2CC2)cc1NC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182891813 822387308 /nfs/dbraw/zinc/38/73/08/822387308.db2.gz DYCWZHNCXJRYPH-AEFFLSMTSA-N 1 0 398.551 4.118 20 0 GIADRO Cc1cc(Br)c(C[NH2+]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)s1 ZINC000453579105 822387559 /nfs/dbraw/zinc/38/75/59/822387559.db2.gz BBTNGAMZUUIQAN-GXFFZTMASA-N 1 0 386.277 4.392 20 0 GIADRO CC(C)(CO)[C@H]([NH2+]Cc1cc(Br)cc2c1OCC2)c1cccs1 ZINC000453580453 822387933 /nfs/dbraw/zinc/38/79/33/822387933.db2.gz UCVIWADFGFULJB-QGZVFWFLSA-N 1 0 396.350 4.295 20 0 GIADRO COc1cc(C[NH2+]C[C@@H]2CCOC(C)(C)C2)ccc1OCc1c(C)noc1C ZINC000453583090 822388133 /nfs/dbraw/zinc/38/81/33/822388133.db2.gz OKNYEZJIVRLIHU-GOSISDBHSA-N 1 0 388.508 4.174 20 0 GIADRO C[C@H](NC(=O)CSc1nccc2ccccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182898129 822388412 /nfs/dbraw/zinc/38/84/12/822388412.db2.gz LJWYSYYHRBPZHS-FUHWJXTLSA-N 1 0 383.561 4.096 20 0 GIADRO C[C@@H](NC1(C[NH2+][C@@H](C)c2ccc3c(c2)CCO3)CCOCC1)c1ccccc1 ZINC000178534642 822388900 /nfs/dbraw/zinc/38/89/00/822388900.db2.gz QHKGHKARVMHHNI-RBUKOAKNSA-N 1 0 380.532 4.172 20 0 GIADRO CC(=O)c1c(C)cc(C)c(C[NH+]2CCC(C(=O)NCc3ccccc3)CC2)c1C ZINC000045470535 822389168 /nfs/dbraw/zinc/38/91/68/822389168.db2.gz SGFVEEKEKWWLOU-UHFFFAOYSA-N 1 0 392.543 4.343 20 0 GIADRO Cc1cc(Br)c(C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)s1 ZINC000453588006 822389446 /nfs/dbraw/zinc/38/94/46/822389446.db2.gz UPKVANKMQJDKTA-GFCCVEGCSA-N 1 0 377.311 4.251 20 0 GIADRO CC1(C)C[C@@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)CCO1 ZINC000453588540 822389547 /nfs/dbraw/zinc/38/95/47/822389547.db2.gz YRZXRXKSHZVRFR-SFHVURJKSA-N 1 0 376.504 4.229 20 0 GIADRO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(C(F)(F)F)nc1Cl ZINC000178541992 822389889 /nfs/dbraw/zinc/38/98/89/822389889.db2.gz JEZPGDGBMZXSEK-AWEZNQCLSA-N 1 0 397.828 4.148 20 0 GIADRO CC(C)[C@@H](NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1ccc(Cl)cc1F ZINC000182910899 822391068 /nfs/dbraw/zinc/39/10/68/822391068.db2.gz RNPQNTDOXUNEAW-DNVCBOLYSA-N 1 0 381.923 4.304 20 0 GIADRO Cc1cnc(CC[NH2+]Cc2cn(C(C)(C)C)nc2-c2ccccc2Cl)cn1 ZINC000453600207 822391257 /nfs/dbraw/zinc/39/12/57/822391257.db2.gz RXGNCSHREJRADC-UHFFFAOYSA-N 1 0 383.927 4.389 20 0 GIADRO Cc1cc(C)n(-c2ccccc2NC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC000182916079 822392011 /nfs/dbraw/zinc/39/20/11/822392011.db2.gz RRUQNRLJCTYXKJ-OALUTQOASA-N 1 0 395.551 4.264 20 0 GIADRO OCc1ccc(C[NH2+][C@H]2CCCOc3cc(Br)ccc32)cc1F ZINC000178566109 822392171 /nfs/dbraw/zinc/39/21/71/822392171.db2.gz VTTITVNWCHSHHU-KRWDZBQOSA-N 1 0 380.257 4.084 20 0 GIADRO CC(C)Oc1cccc(CN(C)C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000182916922 822392245 /nfs/dbraw/zinc/39/22/45/822392245.db2.gz UWODIVLCIVKFFL-UYAOXDASSA-N 1 0 387.568 4.268 20 0 GIADRO CCOc1ccc(C[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)cc1OCC ZINC000182917466 822392355 /nfs/dbraw/zinc/39/23/55/822392355.db2.gz WJGLXQYDEKMUHK-UHFFFAOYSA-N 1 0 398.503 4.040 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(CO)c(F)c1)c1ccc(OC(F)F)cc1OC(F)F ZINC000178566674 822392453 /nfs/dbraw/zinc/39/24/53/822392453.db2.gz NGIXKILEERMYFI-SNVBAGLBSA-N 1 0 391.336 4.372 20 0 GIADRO Cc1cc(C)cc([C@@H](C)[NH2+]CC(=O)Nc2cc3c(cc2Cl)OCCCO3)c1 ZINC000182919453 822392793 /nfs/dbraw/zinc/39/27/93/822392793.db2.gz AQRVXRSASXEIAJ-OAHLLOKOSA-N 1 0 388.895 4.407 20 0 GIADRO Cc1nc(-c2ccccc2)c(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000178572392 822392871 /nfs/dbraw/zinc/39/28/71/822392871.db2.gz OKKQVYPEAJKENY-HKUYNNGSSA-N 1 0 381.545 4.207 20 0 GIADRO C[C@H](NC(=O)N(Cc1ccccc1)C[C@@H]1CCCO1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182921840 822393242 /nfs/dbraw/zinc/39/32/42/822393242.db2.gz DYGXQONGQBVUSD-WPYKKVEZSA-N 1 0 399.579 4.030 20 0 GIADRO C[C@@H](NC(=O)N(C)CCOc1cccc(Cl)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182923103 822393513 /nfs/dbraw/zinc/39/35/13/822393513.db2.gz MOVXYUHVOXGNJS-SJORKVTESA-N 1 0 393.959 4.013 20 0 GIADRO C[C@H](NC(=O)N(C)Cc1ccc(OC(F)F)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182927105 822394549 /nfs/dbraw/zinc/39/45/49/822394549.db2.gz LSWLGKOIQRLNCL-DOTOQJQBSA-N 1 0 395.494 4.082 20 0 GIADRO COc1ccc([C@@H](C)NCc2cn3c(cccc3C)n2)cc1C[NH+]1CCCCC1 ZINC000182930751 822395211 /nfs/dbraw/zinc/39/52/11/822395211.db2.gz FZWXSMWJUXUAOS-LJQANCHMSA-N 1 0 392.547 4.488 20 0 GIADRO Cc1ccc2oc(C(=O)N3CC[C@@H]4[C@H](CCC[N@@H+]4Cc4ccccc4)C3)cc2n1 ZINC000178599698 822395318 /nfs/dbraw/zinc/39/53/18/822395318.db2.gz FNQUXVYXSMHTKR-TZIWHRDSSA-N 1 0 389.499 4.263 20 0 GIADRO Cc1ncc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c(C(C)C)n1 ZINC000178600401 822395388 /nfs/dbraw/zinc/39/53/88/822395388.db2.gz IOOFHDOVFOYLAA-RBBKRZOGSA-N 1 0 392.547 4.035 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(CN2CCO[C@@H](C)C2)c1)c1ccc2ccccc2n1 ZINC000178617090 822396447 /nfs/dbraw/zinc/39/64/47/822396447.db2.gz LUIPDTGTBVQTRP-OALUTQOASA-N 1 0 375.516 4.306 20 0 GIADRO C[C@H]1CN(C(=O)c2ccc(C[NH2+]Cc3ccc(F)cc3Cl)cc2)C[C@H](C)O1 ZINC000178619040 822396667 /nfs/dbraw/zinc/39/66/67/822396667.db2.gz IWLLZSUTBRNCDW-GJZGRUSLSA-N 1 0 390.886 4.018 20 0 GIADRO CCSc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(S(=O)(=O)NC)cc2)cc1 ZINC000178621945 822397046 /nfs/dbraw/zinc/39/70/46/822397046.db2.gz BKSPRJJTBAACCO-GJZGRUSLSA-N 1 0 378.563 4.119 20 0 GIADRO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182943222 822397410 /nfs/dbraw/zinc/39/74/10/822397410.db2.gz SUMGKVZZVRUWLQ-ZMSDIMECSA-N 1 0 379.495 4.320 20 0 GIADRO Cc1cc(NC(=O)N(CC[NH+](C)C)C(C)C)n(-c2cccc(C(F)(F)F)c2)n1 ZINC000178633585 822398064 /nfs/dbraw/zinc/39/80/64/822398064.db2.gz INEOTAKFWGRUOW-UHFFFAOYSA-N 1 0 397.445 4.003 20 0 GIADRO COc1ccc(CN(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)C2CC2)cc1 ZINC000182952121 822398999 /nfs/dbraw/zinc/39/89/99/822398999.db2.gz IQQFGTFYMPGKII-HKUYNNGSSA-N 1 0 385.552 4.022 20 0 GIADRO COc1ccc([C@H](C)[NH2+]C[C@@H](CCO)c2ccccc2)cc1Br ZINC000178643714 822399217 /nfs/dbraw/zinc/39/92/17/822399217.db2.gz VJLGEIIBZJOIHL-WMLDXEAASA-N 1 0 378.310 4.275 20 0 GIADRO COc1cccc([C@@H](CNC(=O)CC2CCC(C(F)(F)F)CC2)[NH+](C)C)c1 ZINC000182955075 822399363 /nfs/dbraw/zinc/39/93/63/822399363.db2.gz JENUJFIOUZHLIB-JFUPDXTOSA-N 1 0 386.458 4.173 20 0 GIADRO O=C(Nc1ccc2c(c1)nc1n2CCCCC1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000178658322 822400241 /nfs/dbraw/zinc/40/02/41/822400241.db2.gz HXSXKGRKUBCFJH-UHFFFAOYSA-N 1 0 388.515 4.023 20 0 GIADRO COc1cc2c(cc1OC)C[N@H+](Cc1ccccc1N[C@H](C)[C@@H]1CCOC1)CC2 ZINC000182968951 822401533 /nfs/dbraw/zinc/40/15/33/822401533.db2.gz JDHXOZZCGKKLIJ-YLJYHZDGSA-N 1 0 396.531 4.099 20 0 GIADRO Cc1cc(C)c(NC(=O)CCC[NH+]2CCC(C(=O)N3CCCCC3)CC2)c(C)c1 ZINC000178678075 822402030 /nfs/dbraw/zinc/40/20/30/822402030.db2.gz SLJXKURZFWTQPU-UHFFFAOYSA-N 1 0 399.579 4.055 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)N(Cc1ccco1)Cc1cccs1)c1ccsc1 ZINC000045658380 822403133 /nfs/dbraw/zinc/40/31/33/822403133.db2.gz KYGJKQHTVULZHT-GOSISDBHSA-N 1 0 389.546 4.417 20 0 GIADRO Cc1cc(N2CCC([NH2+][C@H](C)c3ccc(Br)cc3)CC2)nc(C)n1 ZINC000178694833 822403421 /nfs/dbraw/zinc/40/34/21/822403421.db2.gz MMULAHFXPCSUTG-CQSZACIVSA-N 1 0 389.341 4.176 20 0 GIADRO Cc1cc(N2CCC([NH2+][C@@H](C)c3ccccc3Br)CC2)nc(C)n1 ZINC000178696068 822403596 /nfs/dbraw/zinc/40/35/96/822403596.db2.gz GCUNCRSAKYXCBC-AWEZNQCLSA-N 1 0 389.341 4.176 20 0 GIADRO COc1cc(NC(=O)C[NH2+][C@@H](C)c2cc(C)sc2C)c(OC)cc1Cl ZINC000182986692 822405569 /nfs/dbraw/zinc/40/55/69/822405569.db2.gz GUJYBAOSWBZAGG-NSHDSACASA-N 1 0 382.913 4.325 20 0 GIADRO Cc1ccc2[nH]c([C@H]3CCCN3C(=O)NC[C@@H]3CCC[N@@H+](CC(C)C)C3)nc2c1 ZINC000178729791 822405923 /nfs/dbraw/zinc/40/59/23/822405923.db2.gz WGIRWIYWHBECFU-GHTZIAJQSA-N 1 0 397.567 4.086 20 0 GIADRO c1coc([C@@H](CNc2ncnc3c2cnn3-c2ccccc2)[NH+]2CCCCC2)c1 ZINC000045698808 822406065 /nfs/dbraw/zinc/40/60/65/822406065.db2.gz LTXWUDBJISDIGE-LJQANCHMSA-N 1 0 388.475 4.048 20 0 GIADRO Cc1cc([C@@H](C)[NH2+]CC(=O)Nc2cc3c(cc2Cl)OCCCO3)c(C)s1 ZINC000182988530 822406322 /nfs/dbraw/zinc/40/63/22/822406322.db2.gz LCWODLVGAKSJNE-GFCCVEGCSA-N 1 0 394.924 4.469 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(-n2cncn2)cc1)c1cc(Br)ccc1F ZINC000178742948 822406776 /nfs/dbraw/zinc/40/67/76/822406776.db2.gz OZNPYXPSZMGPMD-LBPRGKRZSA-N 1 0 375.245 4.020 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)C(=O)Nc3cccc(C4CCC4)c3)ccc21 ZINC000453753476 822407054 /nfs/dbraw/zinc/40/70/54/822407054.db2.gz DFZVGFKOVQHFDA-NRFANRHFSA-N 1 0 377.488 4.080 20 0 GIADRO Cc1c([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)Cc2ccccc2)cnn1-c1ccc(F)cc1 ZINC000182993538 822407424 /nfs/dbraw/zinc/40/74/24/822407424.db2.gz GZAYPXODMDEPJH-SJORKVTESA-N 1 0 394.494 4.018 20 0 GIADRO O[C@H](C[NH2+]C1(c2ccc(F)cc2)CCOCC1)Cc1ccccc1C(F)(F)F ZINC000178763396 822407895 /nfs/dbraw/zinc/40/78/95/822407895.db2.gz FNDAOGLJOUEEKD-SFHVURJKSA-N 1 0 397.412 4.043 20 0 GIADRO CC[C@@H](Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1)c1ccc(Cl)s1 ZINC000183005006 822409698 /nfs/dbraw/zinc/40/96/98/822409698.db2.gz KFNORMGSWXJWHX-HZPDHXFCSA-N 1 0 377.941 4.414 20 0 GIADRO CSc1ccc([C@@H](C)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)cc1F ZINC000183006073 822410106 /nfs/dbraw/zinc/41/01/06/822410106.db2.gz VCZKSYSPQBQDJD-AUUYWEPGSA-N 1 0 387.524 4.170 20 0 GIADRO Cc1c2ccccc2oc1[C@H](C)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000183007913 822410390 /nfs/dbraw/zinc/41/03/90/822410390.db2.gz WFAFOOKXQKHBTL-OXJNMPFZSA-N 1 0 377.488 4.364 20 0 GIADRO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1CC[NH+](C2CCCC2)CC1 ZINC000045753811 822410441 /nfs/dbraw/zinc/41/04/41/822410441.db2.gz GCVHOWMIACFMTK-IBGZPJMESA-N 1 0 377.532 4.241 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)Nc2cccc(OC(F)F)c2)CC1 ZINC000045757051 822410865 /nfs/dbraw/zinc/41/08/65/822410865.db2.gz DITZLIJUHGQJAG-UHFFFAOYSA-N 1 0 389.446 4.383 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)N2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)c1 ZINC000178795649 822410883 /nfs/dbraw/zinc/41/08/83/822410883.db2.gz INNUKNZFQWKRLM-NHCUHLMSSA-N 1 0 385.483 4.007 20 0 GIADRO Cc1ccc(CN(C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C2CC2)o1 ZINC000045757535 822411055 /nfs/dbraw/zinc/41/10/55/822411055.db2.gz XRRMYBQQQZQTDP-UHFFFAOYSA-N 1 0 381.520 4.235 20 0 GIADRO CC[C@@H](Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1)c1cc(C)ccc1OC ZINC000183013984 822411525 /nfs/dbraw/zinc/41/15/25/822411525.db2.gz BHEPFCKRIDLPPU-NHCUHLMSSA-N 1 0 381.520 4.017 20 0 GIADRO C[C@H]([NH3+])C1CCN(C(=O)c2cn(C(C)(C)C)nc2-c2ccccc2Cl)CC1 ZINC000178806389 822412176 /nfs/dbraw/zinc/41/21/76/822412176.db2.gz MISHWDAQJLEQAT-AWEZNQCLSA-N 1 0 388.943 4.158 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCc3ccc(O)cc3C2)cc1 ZINC000045780157 822412875 /nfs/dbraw/zinc/41/28/75/822412875.db2.gz LVCDIAVHLOSAII-SFHVURJKSA-N 1 0 393.531 4.035 20 0 GIADRO Cc1sc(CCNC(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)nc1-c1ccccc1 ZINC000178813678 822413043 /nfs/dbraw/zinc/41/30/43/822413043.db2.gz QBXFIMOIXBCZDJ-MGPUTAFESA-N 1 0 379.529 4.113 20 0 GIADRO C[C@@H]([NH3+])C1CCN(C(=O)[C@H](Oc2ccc(F)cc2Cl)c2ccccc2)CC1 ZINC000178825180 822414112 /nfs/dbraw/zinc/41/41/12/822414112.db2.gz XGYKGRSBVSLAPH-JLTOFOAXSA-N 1 0 390.886 4.185 20 0 GIADRO CCc1ccc(CN(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)C2CC2)cc1 ZINC000045794021 822414374 /nfs/dbraw/zinc/41/43/74/822414374.db2.gz NHTOGOSRPOPHLA-UHFFFAOYSA-N 1 0 395.547 4.064 20 0 GIADRO C[C@H]([NH3+])C1CCN(C(=O)c2ccccc2CSc2nc3ccccc3[nH]2)CC1 ZINC000178829407 822414471 /nfs/dbraw/zinc/41/44/71/822414471.db2.gz LHGKVOUXFPGHNP-HNNXBMFYSA-N 1 0 394.544 4.055 20 0 GIADRO CCOc1ccccc1NC(=O)[C@H](C)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000045806861 822415137 /nfs/dbraw/zinc/41/51/37/822415137.db2.gz SBHKGJBYXKPPOC-IBGZPJMESA-N 1 0 387.568 4.000 20 0 GIADRO Cc1cccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)c1C ZINC000045812915 822415593 /nfs/dbraw/zinc/41/55/93/822415593.db2.gz VXODTAAGDUJLKB-DLBZAZTESA-N 1 0 379.504 4.330 20 0 GIADRO CSc1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)c1 ZINC000045812885 822415646 /nfs/dbraw/zinc/41/56/46/822415646.db2.gz PGGZHPFEJLOWEG-CABCVRRESA-N 1 0 397.544 4.435 20 0 GIADRO Cc1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)c1C ZINC000045812918 822415707 /nfs/dbraw/zinc/41/57/07/822415707.db2.gz VXODTAAGDUJLKB-IRXDYDNUSA-N 1 0 379.504 4.330 20 0 GIADRO C[NH+](C)CCOc1cccc(CNC(=O)Nc2ccc(SC(F)F)cc2)c1 ZINC000045814145 822415901 /nfs/dbraw/zinc/41/59/01/822415901.db2.gz FMNFHZJBGUHBCZ-UHFFFAOYSA-N 1 0 395.475 4.263 20 0 GIADRO CCc1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000045813280 822415911 /nfs/dbraw/zinc/41/59/11/822415911.db2.gz SNUYXAVQKCXZJW-HZPDHXFCSA-N 1 0 379.504 4.275 20 0 GIADRO CCCC(=O)Nc1cccc(NC(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)c1C ZINC000183040511 822416043 /nfs/dbraw/zinc/41/60/43/822416043.db2.gz QRYGSVVQPBZYDI-QGZVFWFLSA-N 1 0 396.535 4.376 20 0 GIADRO CN(Cc1csc2ccccc12)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000045815765 822416106 /nfs/dbraw/zinc/41/61/06/822416106.db2.gz AUYKOWHIRYGXML-UHFFFAOYSA-N 1 0 397.544 4.183 20 0 GIADRO C[C@H]([NH3+])C1CCN(C(=O)[C@@H](Sc2ccc(F)cc2F)c2ccccc2)CC1 ZINC000178852169 822416446 /nfs/dbraw/zinc/41/64/46/822416446.db2.gz HWRLVEXYKSHURX-XOBRGWDASA-N 1 0 390.499 4.384 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(C(F)(F)F)cc2)c1 ZINC000045820906 822416694 /nfs/dbraw/zinc/41/66/94/822416694.db2.gz ZFZUKQFSFCSCCU-STQMWFEESA-N 1 0 393.409 4.342 20 0 GIADRO C[C@@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCO2)c1ccc(NC(=O)C2CC2)cc1 ZINC000045822197 822416851 /nfs/dbraw/zinc/41/68/51/822416851.db2.gz FQQDKKVZKVMAKZ-CYBMUJFWSA-N 1 0 386.879 4.311 20 0 GIADRO C[C@@H]([NH3+])C1CCN(C(=O)/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000178856059 822416818 /nfs/dbraw/zinc/41/68/18/822416818.db2.gz URSFBGGGLGOULU-KXMPLOMGSA-N 1 0 394.359 4.323 20 0 GIADRO COc1cc(-c2ccccc2)ccc1C[NH2+]Cc1ccccc1N1CCOCC1 ZINC000183055600 822418156 /nfs/dbraw/zinc/41/81/56/822418156.db2.gz CURYHMUVHKNTKE-UHFFFAOYSA-N 1 0 388.511 4.489 20 0 GIADRO CC[C@H]1C[C@@H](C(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)CCO1 ZINC000183058383 822418538 /nfs/dbraw/zinc/41/85/38/822418538.db2.gz LIUFLZYXWLOEFA-UNMCSNQZSA-N 1 0 380.532 4.237 20 0 GIADRO CC(C)[C@H](CNc1ncnc2scc(-c3ccccc3)c21)[NH+]1CCN(C)CC1 ZINC000045851950 822418952 /nfs/dbraw/zinc/41/89/52/822418952.db2.gz MOKISCZYXQAJDV-IBGZPJMESA-N 1 0 395.576 4.042 20 0 GIADRO C[C@@H](NC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1)c1ccccn1 ZINC000045867164 822419978 /nfs/dbraw/zinc/41/99/78/822419978.db2.gz IODYYDCHEUZDFW-GOSISDBHSA-N 1 0 388.515 4.371 20 0 GIADRO CCCN(C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)[C@H]1CC[NH2+]C1 ZINC000178896859 822420057 /nfs/dbraw/zinc/42/00/57/822420057.db2.gz YIPDKYBTWGLMPX-AWEZNQCLSA-N 1 0 396.318 4.182 20 0 GIADRO COc1ccc2c(c1)CCC[C@H]2Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000183075232 822421181 /nfs/dbraw/zinc/42/11/81/822421181.db2.gz BKNQNCCNIQHCON-XMMPIXPASA-N 1 0 380.532 4.389 20 0 GIADRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)C3(c4ccccc4)CCOCC3)c2C1 ZINC000178943328 822423538 /nfs/dbraw/zinc/42/35/38/822423538.db2.gz TVDNSXWHHSJGES-UHFFFAOYSA-N 1 0 378.516 4.345 20 0 GIADRO CC(=O)c1ccc(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)s1 ZINC000045942124 822426030 /nfs/dbraw/zinc/42/60/30/822426030.db2.gz NPZRZBQQTOELRU-UHFFFAOYSA-N 1 0 399.516 4.018 20 0 GIADRO Cc1onc(-c2ccccc2Cl)c1C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000183113946 822426300 /nfs/dbraw/zinc/42/63/00/822426300.db2.gz KZOILBVSBSJJDZ-CQSZACIVSA-N 1 0 375.900 4.298 20 0 GIADRO CCOc1cc(NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)ccc1OC ZINC000045977874 822428974 /nfs/dbraw/zinc/42/89/74/822428974.db2.gz MWQOMAOICZMNIK-UHFFFAOYSA-N 1 0 383.492 4.011 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]CC(=O)N(C)[C@H](C)c2ccc(F)cc2)cc1 ZINC000183136841 822429024 /nfs/dbraw/zinc/42/90/24/822429024.db2.gz QLQOYIGYYCRQAC-IAGOWNOFSA-N 1 0 394.494 4.190 20 0 GIADRO CCOc1ccc(C(=O)N2CCC([NH2+]Cc3cc(Cl)ccc3F)CC2)cc1 ZINC000179007786 822429278 /nfs/dbraw/zinc/42/92/78/822429278.db2.gz CQUNZAIASNVGRG-UHFFFAOYSA-N 1 0 390.886 4.272 20 0 GIADRO CCc1nn(C)c(CC)c1C[NH2+]Cc1c(C)nn(-c2ccc(Cl)cc2)c1C ZINC000179009518 822429426 /nfs/dbraw/zinc/42/94/26/822429426.db2.gz OBLZXLPPFCOADC-UHFFFAOYSA-N 1 0 385.943 4.291 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)c2ccc(C)cc2Br)c1 ZINC000179012117 822429871 /nfs/dbraw/zinc/42/98/71/822429871.db2.gz ACWZFOIFAQNIOO-UHFFFAOYSA-N 1 0 375.310 4.139 20 0 GIADRO CN(Cc1csc2ccccc12)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000045983967 822429956 /nfs/dbraw/zinc/42/99/56/822429956.db2.gz HKACZVLNEJQUQE-UHFFFAOYSA-N 1 0 394.544 4.317 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cc(F)ccc2F)cc1 ZINC000183142966 822430528 /nfs/dbraw/zinc/43/05/28/822430528.db2.gz RBFIDHNVMQZFMT-UONOGXRCSA-N 1 0 384.430 4.137 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000183145493 822430682 /nfs/dbraw/zinc/43/06/82/822430682.db2.gz NASRTQDREJRUMZ-KBPBESRZSA-N 1 0 384.430 4.137 20 0 GIADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)Nc2ccc(OCC3CC3)cc2)CC1 ZINC000179030710 822431589 /nfs/dbraw/zinc/43/15/89/822431589.db2.gz YADPPWHJEPOWSU-QGZVFWFLSA-N 1 0 394.519 4.218 20 0 GIADRO Cc1cc(C[NH2+]Cc2cccc(N(C)C)n2)cc(C)c1OCc1ccccn1 ZINC000179034286 822432057 /nfs/dbraw/zinc/43/20/57/822432057.db2.gz JGPVSZQFKUABGZ-UHFFFAOYSA-N 1 0 376.504 4.028 20 0 GIADRO Cc1nc(COc2cccc(C(=O)NCC[C@H](C)[NH+]3CCCCC3)c2)cs1 ZINC000183154562 822432680 /nfs/dbraw/zinc/43/26/80/822432680.db2.gz MBTGKPDEWWGLEN-INIZCTEOSA-N 1 0 387.549 4.025 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N1CCC[C@H]1c1ccc(F)cc1F ZINC000454151647 822433507 /nfs/dbraw/zinc/43/35/07/822433507.db2.gz NIPOBUNJIHXSRG-OALUTQOASA-N 1 0 389.446 4.241 20 0 GIADRO COc1cc(Cl)c(C[NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1Cl ZINC000179054137 822433937 /nfs/dbraw/zinc/43/39/37/822433937.db2.gz KEBXDPWNOSPTJH-HNNXBMFYSA-N 1 0 393.314 4.140 20 0 GIADRO CN(C(=O)c1c2ccccc2nc2c1CCC/C2=C/c1ccco1)[C@@H]1CC[NH2+]C1 ZINC000179054752 822433947 /nfs/dbraw/zinc/43/39/47/822433947.db2.gz BTUMIFALZWRHTL-YHKKIHSWSA-N 1 0 387.483 4.139 20 0 GIADRO C[S@@](=O)C[C@H]([NH2+]CCCc1ccccc1Br)c1ccccc1 ZINC000183165984 822434389 /nfs/dbraw/zinc/43/43/89/822434389.db2.gz ULJBPKNVEDRTAX-PGRDOPGGSA-N 1 0 380.351 4.091 20 0 GIADRO O=C1C[C@H](C[NH2+]Cc2cc(Cl)ccc2OC(F)F)CN1Cc1ccccc1 ZINC000179060359 822434512 /nfs/dbraw/zinc/43/45/12/822434512.db2.gz KRVHBLJKCYHGEO-OAHLLOKOSA-N 1 0 394.849 4.080 20 0 GIADRO Cc1nc(C(F)(F)F)ccc1C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000179067399 822434918 /nfs/dbraw/zinc/43/49/18/822434918.db2.gz PEAMDYSXRKZQHU-UHFFFAOYSA-N 1 0 383.458 4.182 20 0 GIADRO Cc1ccc(C(=O)Nc2cccc(OCCC[NH+](C)C)c2)c(Br)c1 ZINC000179072989 822435447 /nfs/dbraw/zinc/43/54/47/822435447.db2.gz VTNHGRSELDVDHS-UHFFFAOYSA-N 1 0 391.309 4.340 20 0 GIADRO CC(C)[NH+]1CCC(C(=O)N(Cc2csc(Br)c2)C2CC2)CC1 ZINC000179071885 822435450 /nfs/dbraw/zinc/43/54/50/822435450.db2.gz DKCJYNBSTLHYSS-UHFFFAOYSA-N 1 0 385.371 4.122 20 0 GIADRO C[C@@H](OC[C@H](O)C[NH2+][C@@H](C)c1ccccc1-n1cccn1)c1ccc(Cl)cc1 ZINC000183172379 822435495 /nfs/dbraw/zinc/43/54/95/822435495.db2.gz AAHFJPKQVINITN-SQGPQFPESA-N 1 0 399.922 4.315 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCC1)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000454174553 822435651 /nfs/dbraw/zinc/43/56/51/822435651.db2.gz FAOFCJBOXSRLLH-NRFANRHFSA-N 1 0 379.504 4.312 20 0 GIADRO O=C(NOCc1ccc(C(F)(F)F)cc1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000179075036 822435668 /nfs/dbraw/zinc/43/56/68/822435668.db2.gz DHZKAISMPLNVFR-UHFFFAOYSA-N 1 0 399.457 4.091 20 0 GIADRO Cc1cc(C)c(NC(=O)C[NH2+][C@@H](C)c2ccccc2-n2cccn2)c(Cl)c1 ZINC000183174373 822435700 /nfs/dbraw/zinc/43/57/00/822435700.db2.gz JEPURAOUNSWSPL-INIZCTEOSA-N 1 0 382.895 4.432 20 0 GIADRO Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000179107657 822438837 /nfs/dbraw/zinc/43/88/37/822438837.db2.gz GOBHLUMLHZEOAT-MRXNPFEDSA-N 1 0 376.850 4.478 20 0 GIADRO CC[C@H](CC(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1ccc(OC)cc1 ZINC000179109795 822439061 /nfs/dbraw/zinc/43/90/61/822439061.db2.gz XOFXSZNXYVRFAY-OAQYLSRUSA-N 1 0 394.559 4.402 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(OCCOc2ccccc2)nc1)c1ccc(Cl)nc1 ZINC000179108792 822439128 /nfs/dbraw/zinc/43/91/28/822439128.db2.gz NICDVJDLYHAFRN-MRXNPFEDSA-N 1 0 383.879 4.439 20 0 GIADRO Cc1cnc([C@H](C)CNC(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)s1 ZINC000183193628 822439220 /nfs/dbraw/zinc/43/92/20/822439220.db2.gz UHDAYPVJSVAMCP-SJORKVTESA-N 1 0 392.613 4.241 20 0 GIADRO O=C(NC1CC[NH+](C2CC2)CC1)N[C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000454213941 822439570 /nfs/dbraw/zinc/43/95/70/822439570.db2.gz OLJNOUXHZVFVLW-VQIMIIECSA-N 1 0 375.944 4.292 20 0 GIADRO Cc1ccncc1CNC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000454223711 822440613 /nfs/dbraw/zinc/44/06/13/822440613.db2.gz GCDILXFCFJAVNW-UHFFFAOYSA-N 1 0 388.515 4.118 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)N[C@@H]([C@H](CO)C1CC1)C1CC1)C1CCCCC1 ZINC000454226906 822440840 /nfs/dbraw/zinc/44/08/40/822440840.db2.gz LOPJQKDBCVTWCN-FYYLOGMGSA-N 1 0 399.579 4.370 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1)c1ccc(Cl)nc1 ZINC000179126089 822441135 /nfs/dbraw/zinc/44/11/35/822441135.db2.gz VLEKVHCJLYPDAO-OAHLLOKOSA-N 1 0 395.894 4.303 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)N1CC[C@@H](O)CC(C)(C)C1)C1CCCCC1 ZINC000454229670 822441309 /nfs/dbraw/zinc/44/13/09/822441309.db2.gz QCPIOBLBKGJSOY-HXUWFJFHSA-N 1 0 387.568 4.466 20 0 GIADRO C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000454238245 822442292 /nfs/dbraw/zinc/44/22/92/822442292.db2.gz MGHPDLKKPZJONV-KBAYOESNSA-N 1 0 383.458 4.196 20 0 GIADRO C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000454238252 822442375 /nfs/dbraw/zinc/44/23/75/822442375.db2.gz MGHPDLKKPZJONV-NXHRZFHOSA-N 1 0 383.458 4.196 20 0 GIADRO CCCOc1ccc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OCCC ZINC000454237693 822442388 /nfs/dbraw/zinc/44/23/88/822442388.db2.gz KRJULWVSICJJMH-AYHJJNSGSA-N 1 0 375.513 4.011 20 0 GIADRO CC(C)(CNC(=O)Nc1cccc(-c2ncco2)c1)[N@@H+]1CCc2ccccc2C1 ZINC000179152596 822444657 /nfs/dbraw/zinc/44/46/57/822444657.db2.gz HSPQPZSTACVYQM-UHFFFAOYSA-N 1 0 390.487 4.300 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cc(-c4cccnc4)on3)cc2)C1 ZINC000046155917 822445356 /nfs/dbraw/zinc/44/53/56/822445356.db2.gz RQLREWGQRPCTSZ-MRXNPFEDSA-N 1 0 376.460 4.221 20 0 GIADRO C[C@@H]([NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1)c1cccc(F)c1F ZINC000183235192 822445762 /nfs/dbraw/zinc/44/57/62/822445762.db2.gz UWJFJGFUNMTPGK-CQSZACIVSA-N 1 0 375.415 4.093 20 0 GIADRO Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)N1CC[NH+](CC(C)C)CC1 ZINC000179164520 822446235 /nfs/dbraw/zinc/44/62/35/822446235.db2.gz RQNOOMOMGASEOG-UHFFFAOYSA-N 1 0 390.528 4.148 20 0 GIADRO Cc1ccc(CN(C)C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)cc1C ZINC000454265360 822446289 /nfs/dbraw/zinc/44/62/89/822446289.db2.gz BBSZOFBGVADJPF-UHFFFAOYSA-N 1 0 380.536 4.028 20 0 GIADRO CC[C@@H](NC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C)c1c(C)noc1C ZINC000179165712 822446445 /nfs/dbraw/zinc/44/64/45/822446445.db2.gz ZQAGGWAHJJOXCS-LJQANCHMSA-N 1 0 399.539 4.015 20 0 GIADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)Nc3cc(Cl)ccc3N3CCCCC3)C2)C1 ZINC000454268806 822446976 /nfs/dbraw/zinc/44/69/76/822446976.db2.gz PHTRDXQSXVKNDN-NRFANRHFSA-N 1 0 390.959 4.280 20 0 GIADRO CO[C@@H]1CCN(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)CC1(C)C ZINC000454274408 822448188 /nfs/dbraw/zinc/44/81/88/822448188.db2.gz VRNWIOBRVYDCIA-WIYYLYMNSA-N 1 0 387.568 4.018 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(NC(=O)c2ccc(F)cc2)cc1)c1cccc(CO)c1 ZINC000183248863 822448219 /nfs/dbraw/zinc/44/82/19/822448219.db2.gz IYWJXZRLKVKHSR-INIZCTEOSA-N 1 0 378.447 4.421 20 0 GIADRO Cc1ccccc1[C@H](CC(C)C)[NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000183251256 822448620 /nfs/dbraw/zinc/44/86/20/822448620.db2.gz LCLVKEZQGBGMGM-FQEVSTJZSA-N 1 0 390.549 4.250 20 0 GIADRO Cc1onc(-c2ccc(F)cc2)c1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000046195987 822448820 /nfs/dbraw/zinc/44/88/20/822448820.db2.gz VPCLEPBWXUQZOO-UHFFFAOYSA-N 1 0 393.462 4.184 20 0 GIADRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)NCc2cnc(C3CC3)o2)C1 ZINC000454277324 822448967 /nfs/dbraw/zinc/44/89/67/822448967.db2.gz VQWRMNBLYWIZIF-IRXDYDNUSA-N 1 0 396.535 4.029 20 0 GIADRO Cn1ccnc1[C@@H]([NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1)C1CC1 ZINC000183255007 822448975 /nfs/dbraw/zinc/44/89/75/822448975.db2.gz IZURZPLVZCCILV-SFHVURJKSA-N 1 0 393.453 4.228 20 0 GIADRO C[C@@H](N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1cccc(F)c1F ZINC000183258730 822449568 /nfs/dbraw/zinc/44/95/68/822449568.db2.gz FZHXHYNAOYTSNL-HUUCEWRRSA-N 1 0 377.454 4.268 20 0 GIADRO C[C@@H](N[C@@H](C)c1cccc(F)c1F)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000183258714 822449583 /nfs/dbraw/zinc/44/95/83/822449583.db2.gz FZHXHYNAOYTSNL-LSDHHAIUSA-N 1 0 377.454 4.268 20 0 GIADRO O=C1CCCN1Cc1ccccc1C[NH2+][C@@H]1CCc2c1cccc2Br ZINC000179204931 822450574 /nfs/dbraw/zinc/45/05/74/822450574.db2.gz ILYYBCJIVZBPDL-HXUWFJFHSA-N 1 0 399.332 4.349 20 0 GIADRO C[C@@H]1C[C@H](c2cccnc2)N(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000183264096 822450569 /nfs/dbraw/zinc/45/05/69/822450569.db2.gz DSODIKWULHWVCX-DYESRHJHSA-N 1 0 398.576 4.148 20 0 GIADRO COc1cccc([C@@H]2[C@@H](NC(=O)c3ccccc3SC)CC[N@@H+]2C2CC2)c1 ZINC000183269882 822451404 /nfs/dbraw/zinc/45/14/04/822451404.db2.gz OAHKLEBKOFZNCO-PZJWPPBQSA-N 1 0 382.529 4.125 20 0 GIADRO Cc1ccc(-n2cc(C[N@@H+]3CCOCC4(CCOCC4)C3)c(C(C)(C)C)n2)cc1 ZINC000183270414 822451470 /nfs/dbraw/zinc/45/14/70/822451470.db2.gz BWVHDWHTLVPOQZ-UHFFFAOYSA-N 1 0 397.563 4.107 20 0 GIADRO COc1cccc([C@H]2[C@@H](NC(=O)c3c[nH]c4cc(F)ccc34)CC[N@@H+]2C2CC2)c1 ZINC000183272013 822451739 /nfs/dbraw/zinc/45/17/39/822451739.db2.gz WTLVPLJYQDKFDL-UNMCSNQZSA-N 1 0 393.462 4.023 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)Nc2ccc(C(F)(F)F)nc2)CC1 ZINC000183275153 822452181 /nfs/dbraw/zinc/45/21/81/822452181.db2.gz BMGRSIULKZCHQM-UHFFFAOYSA-N 1 0 386.462 4.466 20 0 GIADRO COc1cccc([C@@H]2[C@H](NC(=O)c3coc4ccccc34)CC[N@@H+]2C2CC2)c1 ZINC000183274419 822452200 /nfs/dbraw/zinc/45/22/00/822452200.db2.gz NHAYLUARZXQMCM-IFMALSPDSA-N 1 0 376.456 4.149 20 0 GIADRO O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)N1CCC[C@@H]1c1ccncc1 ZINC000046226213 822452337 /nfs/dbraw/zinc/45/23/37/822452337.db2.gz FQWDPROTMKDKNC-NHCUHLMSSA-N 1 0 398.938 4.419 20 0 GIADRO CSCC1CCC(NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)CC1 ZINC000454291826 822452529 /nfs/dbraw/zinc/45/25/29/822452529.db2.gz BGKLDLPXFMCQRK-UHFFFAOYSA-N 1 0 393.572 4.011 20 0 GIADRO CSCCCCCCNC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000183278306 822452642 /nfs/dbraw/zinc/45/26/42/822452642.db2.gz GWBBGCFLKNNMHX-SJLPKXTDSA-N 1 0 383.627 4.354 20 0 GIADRO C[C@@H]([NH2+]CC(C)(C)c1ccc2c(c1)OCCO2)c1ncc(Br)s1 ZINC000179219960 822453036 /nfs/dbraw/zinc/45/30/36/822453036.db2.gz VQULAUSXDKBHPY-LLVKDONJSA-N 1 0 397.338 4.305 20 0 GIADRO COc1ccccc1N1CCC([NH2+][C@H](C)c2ncc(Br)s2)CC1 ZINC000179220267 822453283 /nfs/dbraw/zinc/45/32/83/822453283.db2.gz HHSAMAVWCNREPP-GFCCVEGCSA-N 1 0 396.354 4.234 20 0 GIADRO COc1ccccc1N1CC[C@H](C[NH2+][C@H](C)c2ncc(Br)s2)C1 ZINC000179221095 822453302 /nfs/dbraw/zinc/45/33/02/822453302.db2.gz GZWNWWHSNNOKKK-CHWSQXEVSA-N 1 0 396.354 4.091 20 0 GIADRO Fc1ccc([C@@H]([NH2+]C[C@H](c2cccs2)N2CCOCC2)c2ccccc2)nc1 ZINC000183291683 822453967 /nfs/dbraw/zinc/45/39/67/822453967.db2.gz XGMXGHLDMNZXAX-IRLDBZIGSA-N 1 0 397.519 4.035 20 0 GIADRO C[C@H]1CN(C(=O)Nc2nc(C(F)(F)F)cs2)CC[N@H+](Cc2ccccc2)C1 ZINC000454300632 822454344 /nfs/dbraw/zinc/45/43/44/822454344.db2.gz JUZPYCLXNGJVKI-CYBMUJFWSA-N 1 0 398.454 4.148 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000454307755 822455632 /nfs/dbraw/zinc/45/56/32/822455632.db2.gz IRFMQQDYHVUPPL-YADHBBJMSA-N 1 0 399.579 4.018 20 0 GIADRO CC[C@@H](NC(=O)NC1CC[NH+](C2CCC2)CC1)c1ccccc1OC(F)F ZINC000454318408 822457286 /nfs/dbraw/zinc/45/72/86/822457286.db2.gz HIFKMSAJCHPTLE-QGZVFWFLSA-N 1 0 381.467 4.055 20 0 GIADRO CC[C@@H](C)n1ncc(C(=O)NCc2ccccc2C[NH+]2CCCC2)c1C1CC1 ZINC000179253028 822457520 /nfs/dbraw/zinc/45/75/20/822457520.db2.gz FSFIIYMMUKEUCD-QGZVFWFLSA-N 1 0 380.536 4.257 20 0 GIADRO COc1cc(Br)cc(C)c1NC(=O)NC(C)(C)CCC[NH+](C)C ZINC000454322652 822457773 /nfs/dbraw/zinc/45/77/73/822457773.db2.gz OJUNEYSYKJUNNG-UHFFFAOYSA-N 1 0 386.334 4.008 20 0 GIADRO COC(=O)COc1ccccc1[C@@H](C)[NH2+]Cc1c(OC)ccc2ccccc21 ZINC000183322097 822458956 /nfs/dbraw/zinc/45/89/56/822458956.db2.gz ZSGWBJIBSWNPSN-MRXNPFEDSA-N 1 0 379.456 4.251 20 0 GIADRO C[N@@H+]1CC[C@H](NC(=O)N(Cc2ccco2)Cc2cccs2)[C@@H]1c1ccccc1 ZINC000179264663 822458991 /nfs/dbraw/zinc/45/89/91/822458991.db2.gz OCWLRKULXDGRGV-SFTDATJTSA-N 1 0 395.528 4.498 20 0 GIADRO C[N@@H+]1CC[C@H](NC(=O)N(Cc2ccco2)Cc2ccco2)[C@@H]1c1ccccc1 ZINC000179271716 822459603 /nfs/dbraw/zinc/45/96/03/822459603.db2.gz YUCZDEOEPXEUQD-SFTDATJTSA-N 1 0 379.460 4.030 20 0 GIADRO Fc1ccc([C@@H]([NH2+]CCc2nccn2Cc2ccccc2)c2ccccc2)nc1 ZINC000183337629 822460613 /nfs/dbraw/zinc/46/06/13/822460613.db2.gz OUGWPMRQHLNQSS-DEOSSOPVSA-N 1 0 386.474 4.387 20 0 GIADRO CSc1ccc(NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000454357250 822461225 /nfs/dbraw/zinc/46/12/25/822461225.db2.gz OAEJLABTUKETKH-UHFFFAOYSA-N 1 0 375.460 4.289 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1 ZINC000454360631 822461969 /nfs/dbraw/zinc/46/19/69/822461969.db2.gz UKDWNCINXQIJRJ-UHFFFAOYSA-N 1 0 397.445 4.133 20 0 GIADRO COC(=O)COc1ccccc1[C@@H](C)[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000183355329 822462794 /nfs/dbraw/zinc/46/27/94/822462794.db2.gz RIAFIMZBRXMLBE-GFCCVEGCSA-N 1 0 385.357 4.247 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cnn1C ZINC000183357818 822463345 /nfs/dbraw/zinc/46/33/45/822463345.db2.gz LZUMRYOMEHETFB-UWVGGRQHSA-N 1 0 388.821 4.079 20 0 GIADRO O[C@H](COc1ccccc1F)C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000046343369 822463605 /nfs/dbraw/zinc/46/36/05/822463605.db2.gz JNAYFZZXCOSTHA-CVEARBPZSA-N 1 0 386.492 4.055 20 0 GIADRO C[C@H](c1nc2ccccc2s1)N(C)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000046346760 822464327 /nfs/dbraw/zinc/46/43/27/822464327.db2.gz PUMIMTSTYBQUCT-CJNGLKHVSA-N 1 0 388.562 4.363 20 0 GIADRO CCN(C(=O)NC[C@H](c1ccsc1)[NH+](C)C)[C@@H](C)c1cccc(OC)c1 ZINC000046346970 822464416 /nfs/dbraw/zinc/46/44/16/822464416.db2.gz YUHSRNYCBLAPOF-HNAYVOBHSA-N 1 0 375.538 4.152 20 0 GIADRO CCOc1ccc([C@H]2CCCN2C(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc1 ZINC000046347299 822464698 /nfs/dbraw/zinc/46/46/98/822464698.db2.gz PFUDATKJZFJREJ-WOJBJXKFSA-N 1 0 387.549 4.296 20 0 GIADRO Cc1nc2ccc(NC(=O)N3CC[N@H+](Cc4ccccc4)C[C@@H](C)C3)cc2o1 ZINC000454379649 822465706 /nfs/dbraw/zinc/46/57/06/822465706.db2.gz NVQFBPSQPBYMLF-MRXNPFEDSA-N 1 0 378.476 4.122 20 0 GIADRO CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+][C@@H](C)c2cccc3ccccc32)CC1 ZINC000183380128 822466191 /nfs/dbraw/zinc/46/61/91/822466191.db2.gz OQGDPSVOQWUAAS-ROUUACIJSA-N 1 0 396.531 4.071 20 0 GIADRO COc1ccccc1Oc1ccc(NC(=O)NCCCC[N@H+](C)C2CC2)cc1 ZINC000454383185 822466260 /nfs/dbraw/zinc/46/62/60/822466260.db2.gz VWLDHHHUDSNWKV-UHFFFAOYSA-N 1 0 383.492 4.483 20 0 GIADRO O=C(Cc1cccc(C(F)(F)F)c1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000046374541 822467198 /nfs/dbraw/zinc/46/71/98/822467198.db2.gz SASBRCNMGUTTSM-UHFFFAOYSA-N 1 0 376.422 4.160 20 0 GIADRO CC(C)C(=O)Nc1ccc(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000183394524 822467792 /nfs/dbraw/zinc/46/77/92/822467792.db2.gz VBXTZCHIAUZYGR-GOSISDBHSA-N 1 0 389.540 4.160 20 0 GIADRO C[N@H+](CCCCNC(=O)Nc1ccc(-c2nc3ccccc3o2)cc1)C1CC1 ZINC000454397216 822468801 /nfs/dbraw/zinc/46/88/01/822468801.db2.gz YOGSATDNQKZCPO-UHFFFAOYSA-N 1 0 378.476 4.491 20 0 GIADRO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000183407059 822469570 /nfs/dbraw/zinc/46/95/70/822469570.db2.gz SOVVYXVZSLCHJL-INIZCTEOSA-N 1 0 395.425 4.225 20 0 GIADRO C[N@@H+]1CCCN(c2ccc(NC(=O)c3cc(Cl)ccc3Cl)cc2)CC1 ZINC000046403877 822470468 /nfs/dbraw/zinc/47/04/68/822470468.db2.gz DIJQIVUVCVMAFA-UHFFFAOYSA-N 1 0 378.303 4.388 20 0 GIADRO C[N@@H+]1CCCN(c2ccc(NC(=O)CCc3ccc(Cl)s3)cc2)CC1 ZINC000046404176 822470592 /nfs/dbraw/zinc/47/05/92/822470592.db2.gz SODZHCHRXZMRHR-UHFFFAOYSA-N 1 0 377.941 4.115 20 0 GIADRO C[C@@H]1C[C@@H]1c1ccc(CCC(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)o1 ZINC000046404412 822470659 /nfs/dbraw/zinc/47/06/59/822470659.db2.gz MBHJADBNYWBEQR-UTKZUKDTSA-N 1 0 381.520 4.116 20 0 GIADRO Cc1cccc(C2(C(=O)Nc3ccc(N4CCC[N@@H+](C)CC4)cc3)CCC2)c1 ZINC000046404073 822470681 /nfs/dbraw/zinc/47/06/81/822470681.db2.gz ZILKIOAZOWXCKM-UHFFFAOYSA-N 1 0 377.532 4.197 20 0 GIADRO Cc1c([C@@H](C)[NH2+]CC(=O)Nc2ccc(Oc3cccc(Cl)c3)cc2)cnn1C ZINC000183421170 822471969 /nfs/dbraw/zinc/47/19/69/822471969.db2.gz LWZHOOKLTTYAPO-CQSZACIVSA-N 1 0 398.894 4.464 20 0 GIADRO Cc1cc([C@H](C)[NH2+][C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)c(C)s1 ZINC000179375895 822473458 /nfs/dbraw/zinc/47/34/58/822473458.db2.gz YAGNDLYCZLBROQ-KKUMJFAQSA-N 1 0 388.533 4.053 20 0 GIADRO COc1cc([C@H](C)[NH2+]C[C@]2(C)CCCc3ccccc32)ccc1S(C)(=O)=O ZINC000183431482 822473940 /nfs/dbraw/zinc/47/39/40/822473940.db2.gz UBZRGYJVUBADIT-AOMKIAJQSA-N 1 0 387.545 4.044 20 0 GIADRO C[C@H](NC(=O)OC(C)(C)C)C1CC[NH+](Cc2cnc(-c3ccccc3)[nH]2)CC1 ZINC000179388498 822475609 /nfs/dbraw/zinc/47/56/09/822475609.db2.gz YYZHMTRTTUHANJ-INIZCTEOSA-N 1 0 384.524 4.202 20 0 GIADRO Cn1ccnc1COc1ccc(C[NH2+]C2(c3ccc(F)cc3F)CCC2)cc1 ZINC000179393729 822476296 /nfs/dbraw/zinc/47/62/96/822476296.db2.gz PGRHSEXFOFPHGP-UHFFFAOYSA-N 1 0 383.442 4.446 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)Cc1nc(C(F)(F)F)cs1 ZINC000179396708 822476747 /nfs/dbraw/zinc/47/67/47/822476747.db2.gz KDQIJSDFZDRIHX-UHFFFAOYSA-N 1 0 384.471 4.295 20 0 GIADRO Cc1ccccc1-c1nc(CN(C)CCC2CCN(c3cc[nH+]cc3)CC2)no1 ZINC000179396213 822476765 /nfs/dbraw/zinc/47/67/65/822476765.db2.gz SKJLRFLFBYSRLL-UHFFFAOYSA-N 1 0 391.519 4.179 20 0 GIADRO CSc1ccc([C@H](CNC(=O)Nc2ccc(N(C)C)cc2C)[NH+](C)C)cc1 ZINC000454446958 822477189 /nfs/dbraw/zinc/47/71/89/822477189.db2.gz ZATZWZWPERUWNT-FQEVSTJZSA-N 1 0 386.565 4.207 20 0 GIADRO CCOc1c(Cl)cc(C[NH2+][C@H](C)c2cnc3cc(C)nn3c2C)cc1OC ZINC000179401374 822477596 /nfs/dbraw/zinc/47/75/96/822477596.db2.gz PECGEHHUFNDOQK-CYBMUJFWSA-N 1 0 388.899 4.258 20 0 GIADRO Cc1cc2ncc([C@@H](C)[NH2+]Cc3cc(F)cc(Br)c3)c(C)n2n1 ZINC000179402866 822477849 /nfs/dbraw/zinc/47/78/49/822477849.db2.gz ZFWQOKJCUGHGNG-LLVKDONJSA-N 1 0 377.261 4.099 20 0 GIADRO COc1c(C)ccc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)c1C ZINC000454452792 822478057 /nfs/dbraw/zinc/47/80/57/822478057.db2.gz UIVDJVDHBVDCLU-KRWDZBQOSA-N 1 0 381.520 4.298 20 0 GIADRO CC[C@@H]([NH2+]Cc1cccc(C(=O)NC[C@H]2CCCO2)c1)c1cc(C)ccc1OC ZINC000179408187 822478640 /nfs/dbraw/zinc/47/86/40/822478640.db2.gz BRLBZHRSLSMXOL-IFMALSPDSA-N 1 0 396.531 4.153 20 0 GIADRO Cc1cccc(OC(F)F)c1NC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183464540 822478990 /nfs/dbraw/zinc/47/89/90/822478990.db2.gz UQDFHZRQROFSBL-GJZGRUSLSA-N 1 0 381.467 4.371 20 0 GIADRO Cc1cc2ncc([C@@H](C)[NH2+]C[C@H](O)c3ccc(Cl)cc3Cl)c(C)n2n1 ZINC000179428466 822481126 /nfs/dbraw/zinc/48/11/26/822481126.db2.gz ZNZYBOAMFGPRTR-DIFFPNOSSA-N 1 0 379.291 4.037 20 0 GIADRO CSc1nnc(CCC[NH2+][C@H](C)c2nc3c(s2)CCCC3)n1CC(C)C ZINC000179430328 822481475 /nfs/dbraw/zinc/48/14/75/822481475.db2.gz ZNTNJEMBZLWSOQ-CQSZACIVSA-N 1 0 393.626 4.275 20 0 GIADRO Cc1nn(C)c(C)c1CCC[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000183477399 822481870 /nfs/dbraw/zinc/48/18/70/822481870.db2.gz JAGPCLGXKGABJU-UHFFFAOYSA-N 1 0 392.950 4.016 20 0 GIADRO COc1cc(F)c([C@@H](C)[NH2+]Cc2cc(Cl)cc(C(C)=O)c2O)cc1OC ZINC000183478349 822481878 /nfs/dbraw/zinc/48/18/78/822481878.db2.gz QKTFVWORVCESIO-SNVBAGLBSA-N 1 0 381.831 4.255 20 0 GIADRO CC/C(=C\C(=O)Nc1ccccc1C[NH+]1CCC(O)CC1)c1ccc(C)cc1 ZINC000179433283 822482049 /nfs/dbraw/zinc/48/20/49/822482049.db2.gz WWSVLCZHOPDROX-KNTRCKAVSA-N 1 0 378.516 4.384 20 0 GIADRO CC[N@@H+](Cc1cnn(Cc2ccccc2)c1)CC1CCN(c2ccccn2)CC1 ZINC000179435214 822482199 /nfs/dbraw/zinc/48/21/99/822482199.db2.gz MAMSQTHCVMJQEN-UHFFFAOYSA-N 1 0 389.547 4.065 20 0 GIADRO Cc1nn(C)c(C)c1CCC[NH2+][C@H](C)c1cnn(-c2cc(C)ccc2C)c1C ZINC000183482782 822483039 /nfs/dbraw/zinc/48/30/39/822483039.db2.gz WSNUCPZUQQTBSF-QGZVFWFLSA-N 1 0 379.552 4.431 20 0 GIADRO Cc1ccnc(-c2ccc(NC(=O)N[C@@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)cc2)n1 ZINC000183483901 822483366 /nfs/dbraw/zinc/48/33/66/822483366.db2.gz JTQPKTAWGHTFAA-PKOBYXMFSA-N 1 0 393.535 4.227 20 0 GIADRO Cc1cnn(-c2ccc(NC(=O)N[C@@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)cc2F)c1 ZINC000183488092 822484216 /nfs/dbraw/zinc/48/42/16/822484216.db2.gz AADUNJWUTDHRRI-DLBZAZTESA-N 1 0 399.514 4.094 20 0 GIADRO COC(=O)c1ccc(OCC[NH2+][C@@H](c2nc(C)cs2)C2CC2)c(Cl)c1 ZINC000183490482 822484598 /nfs/dbraw/zinc/48/45/98/822484598.db2.gz JSDZJYUBOORISA-MRXNPFEDSA-N 1 0 380.897 4.011 20 0 GIADRO Cc1nn(C)c(C)c1CCC[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000183491941 822485011 /nfs/dbraw/zinc/48/50/11/822485011.db2.gz FTUUJYGJKOAVLV-GOSISDBHSA-N 1 0 392.341 4.236 20 0 GIADRO CN(C)c1cc[nH+]cc1C(=O)N(C)CCCCCc1cc(-c2ccccc2)no1 ZINC000183494417 822485416 /nfs/dbraw/zinc/48/54/16/822485416.db2.gz IMCAKHYMKTUDJI-UHFFFAOYSA-N 1 0 392.503 4.288 20 0 GIADRO O=C(OCC1CC[NH+](Cc2ccccc2)CC1)c1cnc(-c2ccncc2)s1 ZINC000179458757 822486167 /nfs/dbraw/zinc/48/61/67/822486167.db2.gz ZGLWPGLTDZWLRI-UHFFFAOYSA-N 1 0 393.512 4.274 20 0 GIADRO C[C@H](NC(=O)Nc1ccc(F)cc1OC(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183499864 822486438 /nfs/dbraw/zinc/48/64/38/822486438.db2.gz GZTJDKBUBZGNFH-STQMWFEESA-N 1 0 385.430 4.202 20 0 GIADRO CCc1nn(C)c(OC)c1C[NH2+][C@@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000179466421 822486818 /nfs/dbraw/zinc/48/68/18/822486818.db2.gz CTSMFJOXNVSUBA-LBPRGKRZSA-N 1 0 387.471 4.496 20 0 GIADRO C[NH+](C)Cc1cc(CNC(=O)N2CCC[C@H]2c2ccc(F)cc2F)ccc1F ZINC000454508791 822487136 /nfs/dbraw/zinc/48/71/36/822487136.db2.gz DZMWFVQNHOFTGW-FQEVSTJZSA-N 1 0 391.437 4.212 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)cc1NC(C)=O ZINC000183513903 822488577 /nfs/dbraw/zinc/48/85/77/822488577.db2.gz KEKSIPRBZCEGMZ-XMLVGPMBSA-N 1 0 388.895 4.488 20 0 GIADRO COCc1cc([C@@H](C)[NH2+]C[C@@H](C)c2nc(-c3ccccc3)no2)ccc1OC ZINC000179479098 822488562 /nfs/dbraw/zinc/48/85/62/822488562.db2.gz USVBDTXDWOLOFI-HZPDHXFCSA-N 1 0 381.476 4.346 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]C[C@@H](C)c2nc(-c3ccccc3)no2)cc1NC(C)=O ZINC000179478655 822488567 /nfs/dbraw/zinc/48/85/67/822488567.db2.gz AEVABOLTXWXPGK-HUUCEWRRSA-N 1 0 394.475 4.158 20 0 GIADRO C[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(OCC(F)(F)F)c2)[C@@H]1c1ccccc1 ZINC000179479041 822488637 /nfs/dbraw/zinc/48/86/37/822488637.db2.gz ORJJKFZBRBDMCE-MSOLQXFVSA-N 1 0 393.409 4.195 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+]C[C@@H](C)c2nc(-c3ccccc3)no2)s1 ZINC000179479828 822488812 /nfs/dbraw/zinc/48/88/12/822488812.db2.gz ATUZPULZINFWPU-ZIAGYGMSSA-N 1 0 386.521 4.145 20 0 GIADRO Cc1cccc(NC2CCN(C(=O)N[C@H]3CC[N@@H+](C)[C@@H]3c3ccccc3)CC2)c1 ZINC000179481337 822488946 /nfs/dbraw/zinc/48/89/46/822488946.db2.gz IXRHUASTXCDDCX-XZOQPEGZSA-N 1 0 392.547 4.026 20 0 GIADRO CCO[C@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)C[C@@H]1C ZINC000454517047 822489161 /nfs/dbraw/zinc/48/91/61/822489161.db2.gz WDKSHXFIDQKBGZ-UGKGYDQZSA-N 1 0 387.568 4.019 20 0 GIADRO Cc1cc(C(=O)C[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)c(C)n1Cc1cccs1 ZINC000179482109 822489308 /nfs/dbraw/zinc/48/93/08/822489308.db2.gz BXPJPIMDJQVRAX-HRAATJIYSA-N 1 0 396.560 4.177 20 0 GIADRO COc1ccccc1N1CC[C@H](C[NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)C1 ZINC000183532285 822490887 /nfs/dbraw/zinc/49/08/87/822490887.db2.gz GJNZPNYSQGXIBZ-KOSHJBKYSA-N 1 0 391.490 4.435 20 0 GIADRO COC(=O)COc1ccccc1[C@@H](C)[NH2+]Cc1ccnc(OC2CCCCC2)c1 ZINC000183531910 822490896 /nfs/dbraw/zinc/49/08/96/822490896.db2.gz BIJDGKDATUENGP-QGZVFWFLSA-N 1 0 398.503 4.196 20 0 GIADRO COc1cc([C@@H](C)[NH2+]CC2(c3ccc(F)cc3F)CC2)cc(OC)c1OC ZINC000179498228 822491554 /nfs/dbraw/zinc/49/15/54/822491554.db2.gz JAYNYRSOTIXYRB-CYBMUJFWSA-N 1 0 377.431 4.373 20 0 GIADRO CCN(CC)C(=O)c1ccc(NC(=O)C[NH2+]C2(c3ccccc3)CCCC2)cc1 ZINC000183538194 822491892 /nfs/dbraw/zinc/49/18/92/822491892.db2.gz HKILDJDPSRNBDY-UHFFFAOYSA-N 1 0 393.531 4.166 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCc2c(F)cc(F)cc2F)CC1 ZINC000454529516 822492048 /nfs/dbraw/zinc/49/20/48/822492048.db2.gz WXJYLTICKHLOIP-AWEZNQCLSA-N 1 0 391.437 4.129 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3ccccc3F)C2)cc1NC(C)=O ZINC000179500201 822492093 /nfs/dbraw/zinc/49/20/93/822492093.db2.gz VCXJHRODLZGFKI-MAUKXSAKSA-N 1 0 385.483 4.112 20 0 GIADRO C[C@@H](NC(=O)NCCCC[NH+]1CCC(C)CC1)c1ccc(OC(F)F)cc1 ZINC000046612953 822492570 /nfs/dbraw/zinc/49/25/70/822492570.db2.gz BGZQCOVLPUNASI-MRXNPFEDSA-N 1 0 383.483 4.160 20 0 GIADRO CC[C@@H](NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1cc(F)ccc1F ZINC000179508968 822493113 /nfs/dbraw/zinc/49/31/13/822493113.db2.gz CLDBLPVTOMEIFC-HXUWFJFHSA-N 1 0 388.462 4.027 20 0 GIADRO COc1ccc(C[C@@H](C)C[NH2+][C@H](C)c2ncc(Br)s2)cc1OC ZINC000179507601 822493148 /nfs/dbraw/zinc/49/31/48/822493148.db2.gz JUDOFRMQFOSYJS-VXGBXAGGSA-N 1 0 399.354 4.452 20 0 GIADRO CCC(CC)n1nc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1C ZINC000183553403 822493863 /nfs/dbraw/zinc/49/38/63/822493863.db2.gz OSQHMUQSHXUNHV-XDNSSPFJSA-N 1 0 394.563 4.478 20 0 GIADRO COc1ccccc1OC[C@@H](C)C[NH2+][C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000179513216 822494107 /nfs/dbraw/zinc/49/41/07/822494107.db2.gz LMXLIWGTTSXNAP-DLBZAZTESA-N 1 0 397.519 4.345 20 0 GIADRO CC[C@@H]([NH2+][C@H](C)Cn1ncc2ccccc2c1=O)c1ccccc1OC(F)F ZINC000179513801 822494408 /nfs/dbraw/zinc/49/44/08/822494408.db2.gz XWULHHFONQZQDH-RDTXWAMCSA-N 1 0 387.430 4.127 20 0 GIADRO C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000179515235 822494595 /nfs/dbraw/zinc/49/45/95/822494595.db2.gz BOAURKIFUUJYJR-LAUBAEHRSA-N 1 0 389.499 4.211 20 0 GIADRO Cc1c2ccccc2oc1[C@H](C)[NH2+]CC(=O)Nc1ccnn1Cc1cccs1 ZINC000183559026 822494687 /nfs/dbraw/zinc/49/46/87/822494687.db2.gz YATQDUXHVGVNBE-HNNXBMFYSA-N 1 0 394.500 4.337 20 0 GIADRO C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000179517344 822495264 /nfs/dbraw/zinc/49/52/64/822495264.db2.gz POZPARFHTZBFNG-STQMWFEESA-N 1 0 376.287 4.443 20 0 GIADRO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000179518030 822495507 /nfs/dbraw/zinc/49/55/07/822495507.db2.gz BLJYYUKQDHPRNJ-FZKQIMNGSA-N 1 0 385.920 4.265 20 0 GIADRO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@H](C)c1ccccc1OC(F)(F)F ZINC000179517730 822495606 /nfs/dbraw/zinc/49/56/06/822495606.db2.gz AJSQZMKJOQRLBQ-ZIAGYGMSSA-N 1 0 391.393 4.034 20 0 GIADRO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000179518078 822495706 /nfs/dbraw/zinc/49/57/06/822495706.db2.gz JIDBOCFCLSHCGR-KGLIPLIRSA-N 1 0 375.394 4.155 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)Cn1ncc2ccccc2c1=O)c1ccc(C(F)(F)F)cc1 ZINC000179518086 822495766 /nfs/dbraw/zinc/49/57/66/822495766.db2.gz JIDBOCFCLSHCGR-UONOGXRCSA-N 1 0 375.394 4.155 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]Cc1cccnc1OCC(F)F ZINC000179522466 822496585 /nfs/dbraw/zinc/49/65/85/822496585.db2.gz DVSTZFOHYLBOBW-GFCCVEGCSA-N 1 0 390.459 4.403 20 0 GIADRO Cn1ncc2c1CCC[C@H]2[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000179526812 822497198 /nfs/dbraw/zinc/49/71/98/822497198.db2.gz SVXNEMRVUDQICC-CQSZACIVSA-N 1 0 388.231 4.369 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1Cl)c1cccc(-n2cccn2)c1 ZINC000183600835 822499759 /nfs/dbraw/zinc/49/97/59/822499759.db2.gz VUWUHEBKERUCPH-ZDUSSCGKSA-N 1 0 389.286 4.468 20 0 GIADRO Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@H](C)c1ccccc1O ZINC000183604053 822500169 /nfs/dbraw/zinc/50/01/69/822500169.db2.gz NWNPZNNUVXPVLX-CYBMUJFWSA-N 1 0 377.282 4.143 20 0 GIADRO CCn1nc(C)c(NC(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1C ZINC000179543343 822500291 /nfs/dbraw/zinc/50/02/91/822500291.db2.gz BMKYFNCQJAYLPO-MRXNPFEDSA-N 1 0 383.540 4.073 20 0 GIADRO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1cnc(-c2ccncc2)s1 ZINC000179548783 822501286 /nfs/dbraw/zinc/50/12/86/822501286.db2.gz CHFDKACDKDEQJX-UHFFFAOYSA-N 1 0 378.501 4.096 20 0 GIADRO Cc1nc(C(F)(F)F)c(C[NH2+][C@@](C)(CNC(=O)OC(C)(C)C)C2CC2)s1 ZINC000183615399 822501674 /nfs/dbraw/zinc/50/16/74/822501674.db2.gz SUFCPZYFQCNNKO-INIZCTEOSA-N 1 0 393.475 4.253 20 0 GIADRO C[C@H]([NH2+][C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1)c1ccccc1N(C)C ZINC000179554781 822502607 /nfs/dbraw/zinc/50/26/07/822502607.db2.gz ZOZJKTUXJUAWKO-WQTXXOFMSA-N 1 0 387.955 4.129 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1cc(-c2cccc(Cl)c2)no1 ZINC000179566148 822504473 /nfs/dbraw/zinc/50/44/73/822504473.db2.gz OREKQQACYCYVRQ-UHFFFAOYSA-N 1 0 396.878 4.036 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)CC1 ZINC000183636125 822504521 /nfs/dbraw/zinc/50/45/21/822504521.db2.gz SDGPPYAHZOCWBY-KRWDZBQOSA-N 1 0 385.556 4.168 20 0 GIADRO C[C@H](CCNC(=O)N1C[C@H](C)C[C@H]1c1cccnc1)[N@H+](C)Cc1ccccc1 ZINC000183643065 822505652 /nfs/dbraw/zinc/50/56/52/822505652.db2.gz NXXQKOITRIOCKJ-KNKQGSTJSA-N 1 0 380.536 4.085 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@H]1CCCCC1(F)F ZINC000454610409 822505784 /nfs/dbraw/zinc/50/57/84/822505784.db2.gz JEAIQQIODFVAFH-QRQLOZEOSA-N 1 0 379.495 4.022 20 0 GIADRO Cc1cc2cc(C(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)oc2c(Br)c1 ZINC000183657465 822507003 /nfs/dbraw/zinc/50/70/03/822507003.db2.gz VVNSQRQQWHWQEU-AWEZNQCLSA-N 1 0 391.309 4.062 20 0 GIADRO COc1ccccc1C[N@H+](C)Cc1ccc(OCc2ccncc2)c(OC)c1 ZINC000179588635 822507866 /nfs/dbraw/zinc/50/78/66/822507866.db2.gz XFZHHLXTKQSUSR-UHFFFAOYSA-N 1 0 378.472 4.310 20 0 GIADRO Cc1ccc(C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)c(Sc2ccccc2)c1 ZINC000183665591 822507959 /nfs/dbraw/zinc/50/79/59/822507959.db2.gz BEQYHDBUWFKIRE-LJQANCHMSA-N 1 0 398.572 4.113 20 0 GIADRO O=C(NC1CC[NH+](C2CCCC2)CC1)N1CCC[C@@H]1c1ccc(F)cc1F ZINC000454620869 822507975 /nfs/dbraw/zinc/50/79/75/822507975.db2.gz PNQNLQZPVGUBON-HXUWFJFHSA-N 1 0 377.479 4.218 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2c(F)cccc2F)cc1 ZINC000183674529 822509362 /nfs/dbraw/zinc/50/93/62/822509362.db2.gz UUATYXSIMFOSQF-KBPBESRZSA-N 1 0 384.430 4.137 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2c(F)cccc2F)cc1 ZINC000183674510 822509385 /nfs/dbraw/zinc/50/93/85/822509385.db2.gz UUATYXSIMFOSQF-KGLIPLIRSA-N 1 0 384.430 4.137 20 0 GIADRO COc1cc(F)cc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)c1 ZINC000179596459 822509601 /nfs/dbraw/zinc/50/96/01/822509601.db2.gz UOORYELTXZARPM-HNNXBMFYSA-N 1 0 391.508 4.401 20 0 GIADRO Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000046720972 822509823 /nfs/dbraw/zinc/50/98/23/822509823.db2.gz ZMRNBLFGJDENSS-UHFFFAOYSA-N 1 0 398.894 4.027 20 0 GIADRO CC[C@H]([NH2+][C@H](C)c1ccc(-n2ccnc2C)cc1)C(=O)Nc1ccc(OC)cc1 ZINC000183679888 822510313 /nfs/dbraw/zinc/51/03/13/822510313.db2.gz ZLMBAUKBHKLISL-ZHRRBRCNSA-N 1 0 392.503 4.257 20 0 GIADRO COCc1cc([C@@H](C)[NH2+][C@H](CC(C)C)C(=O)Nc2nccs2)ccc1OC ZINC000179601121 822510488 /nfs/dbraw/zinc/51/04/88/822510488.db2.gz LHXVQRADVLYTBZ-RHSMWYFYSA-N 1 0 391.537 4.002 20 0 GIADRO Brc1ccc([C@H](NC2CC[NH+](C3CC3)CC2)c2ccco2)cc1 ZINC000183686117 822511092 /nfs/dbraw/zinc/51/10/92/822511092.db2.gz NCJLIURXLULIDR-IBGZPJMESA-N 1 0 375.310 4.348 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1nc2ccccc2s1)c1ccc(OC(F)F)cc1 ZINC000179605477 822511317 /nfs/dbraw/zinc/51/13/17/822511317.db2.gz LXXSXQLSDKVAKU-NSHDSACASA-N 1 0 377.416 4.187 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1nc2ccccc2s1)c1ccc(OC(F)F)cc1 ZINC000179605487 822511322 /nfs/dbraw/zinc/51/13/22/822511322.db2.gz LXXSXQLSDKVAKU-LLVKDONJSA-N 1 0 377.416 4.187 20 0 GIADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CCC(C(=O)c3ccccc3)CC2)C1 ZINC000046758475 822514064 /nfs/dbraw/zinc/51/40/64/822514064.db2.gz UJYWUBBJKWQLMN-WOJBJXKFSA-N 1 0 399.579 4.049 20 0 GIADRO CC(C)C[C@@H](C)Oc1cc(C[NH2+]Cc2cncc(Br)c2)ccn1 ZINC000183705661 822514447 /nfs/dbraw/zinc/51/44/47/822514447.db2.gz MYPXEONFYNQVEF-CQSZACIVSA-N 1 0 378.314 4.342 20 0 GIADRO COc1cc(C)c([C@H](C)[NH2+]CC(=O)Nc2ccc(F)cc2Cl)cc1OC ZINC000179631614 822516171 /nfs/dbraw/zinc/51/61/71/822516171.db2.gz IJBZQSBVANEIPF-LBPRGKRZSA-N 1 0 380.847 4.094 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(-c3ccc4c(c3)CCO4)c2)C1 ZINC000179631497 822516183 /nfs/dbraw/zinc/51/61/83/822516183.db2.gz NHCQWIUDZFQBIM-QGZVFWFLSA-N 1 0 379.504 4.094 20 0 GIADRO COC(=O)c1cc2cc(C[NH2+][C@@H](C)c3cc(OC)c(OC)cc3C)ccc2o1 ZINC000179631252 822516195 /nfs/dbraw/zinc/51/61/95/822516195.db2.gz AJAXSHIVKIMNQO-AWEZNQCLSA-N 1 0 383.444 4.396 20 0 GIADRO COc1cc(C)c([C@H](C)[NH2+]CC(=O)Nc2cccc3c2N=S=N3)cc1OC ZINC000179631770 822516411 /nfs/dbraw/zinc/51/64/11/822516411.db2.gz RWOVHPPMFSCNQZ-LBPRGKRZSA-N 1 0 386.477 4.028 20 0 GIADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc(C2CC2)nc2onc(C(C)C)c21 ZINC000046781860 822516811 /nfs/dbraw/zinc/51/68/11/822516811.db2.gz NLULOIAMMYDYBC-OAHLLOKOSA-N 1 0 386.540 4.464 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CCn1cnc2ccccc2c1=O ZINC000183721946 822516881 /nfs/dbraw/zinc/51/68/81/822516881.db2.gz APSSLLCOCYLNMN-OAHLLOKOSA-N 1 0 390.512 4.179 20 0 GIADRO CO[C@H](C)c1cccc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)c1 ZINC000454685554 822517116 /nfs/dbraw/zinc/51/71/16/822517116.db2.gz RADBGEGMHFTFFI-RTBURBONSA-N 1 0 381.520 4.380 20 0 GIADRO Cc1cc2cc(C(=O)N3CC[C@H]4[C@H](CCC[N@H+]4C)C3)oc2c(Br)c1 ZINC000183731293 822517971 /nfs/dbraw/zinc/51/79/71/822517971.db2.gz KZWTVGBYGZYZFM-CJNGLKHVSA-N 1 0 391.309 4.060 20 0 GIADRO O=C(Nc1cccc(-c2ccc3c(c2)CCO3)c1)NC1CC[NH+](C2CC2)CC1 ZINC000179640714 822518090 /nfs/dbraw/zinc/51/80/90/822518090.db2.gz AXQBIHAQTPIXRI-UHFFFAOYSA-N 1 0 377.488 4.037 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(N2CCOC2=O)cc1)c1ccc(F)c(Br)c1 ZINC000183734149 822518683 /nfs/dbraw/zinc/51/86/83/822518683.db2.gz QMTTYIHOZIHQSC-LBPRGKRZSA-N 1 0 393.256 4.396 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(N2CCOC2=O)cc1)c1ccc(F)c(Br)c1 ZINC000183734171 822518705 /nfs/dbraw/zinc/51/87/05/822518705.db2.gz QMTTYIHOZIHQSC-GFCCVEGCSA-N 1 0 393.256 4.396 20 0 GIADRO Cc1cccc([C@H](C)[NH2+]CC(=O)N[C@@H](c2nccs2)c2ccccc2)c1C ZINC000183740222 822520096 /nfs/dbraw/zinc/52/00/96/822520096.db2.gz QYTJSYNTRFZUKP-LAUBAEHRSA-N 1 0 379.529 4.316 20 0 GIADRO COc1ccc([C@@H](C[NH2+][C@H](c2ccco2)c2ccccc2)N(C)C)cc1OC ZINC000183740018 822520181 /nfs/dbraw/zinc/52/01/81/822520181.db2.gz NFRNIWALVUHPMR-XXBNENTESA-N 1 0 380.488 4.279 20 0 GIADRO CC(C)CN(C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C1CC1 ZINC000179655354 822521341 /nfs/dbraw/zinc/52/13/41/822521341.db2.gz JXBRNBWBDBONBF-HNAYVOBHSA-N 1 0 381.923 4.302 20 0 GIADRO CCN(Cc1nnc(Cc2ccccc2C)o1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000183753840 822522635 /nfs/dbraw/zinc/52/26/35/822522635.db2.gz SOLKJOTVUXZWGY-JOCHJYFZSA-N 1 0 390.531 4.065 20 0 GIADRO Cc1ccc([C@H](C[NH2+][C@H](c2ccco2)c2ccccc2)N2CCOCC2)s1 ZINC000183754295 822522660 /nfs/dbraw/zinc/52/26/60/822522660.db2.gz LIAOKPZPBROUCR-UGKGYDQZSA-N 1 0 382.529 4.402 20 0 GIADRO CN1CC[C@@H]([NH2+]Cc2cncc(Br)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000183756583 822523052 /nfs/dbraw/zinc/52/30/52/822523052.db2.gz UHNGSFYHMIPFHA-SJORKVTESA-N 1 0 380.717 4.033 20 0 GIADRO CC[C@H]1CCCC[C@H]1OCC(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000183757801 822523205 /nfs/dbraw/zinc/52/32/05/822523205.db2.gz YXIAMNLHJIJIFD-PGRDOPGGSA-N 1 0 387.568 4.141 20 0 GIADRO CC(C)Oc1cccc([C@H](C)[NH2+]Cc2ccc(S(=O)(=O)C(F)F)cc2)c1 ZINC000179667384 822523384 /nfs/dbraw/zinc/52/33/84/822523384.db2.gz QUZCYDLAAZYEAN-AWEZNQCLSA-N 1 0 383.460 4.321 20 0 GIADRO CC(C)Oc1cccc([C@@H](C)[NH2+]CC(=O)Nc2ccnn2Cc2cccs2)c1 ZINC000179668117 822523433 /nfs/dbraw/zinc/52/34/33/822523433.db2.gz HRXDSDGZBBHHMV-MRXNPFEDSA-N 1 0 398.532 4.069 20 0 GIADRO COc1cccc(-c2nn(C(C)(C)C)cc2C[N@H+](C)CCc2ccncc2)c1 ZINC000183759950 822523629 /nfs/dbraw/zinc/52/36/29/822523629.db2.gz LKHPOLAFZRQMPC-UHFFFAOYSA-N 1 0 378.520 4.383 20 0 GIADRO CC(C)Oc1cccc([C@H](C)[NH2+]CC(=O)NCCc2nc3ccccc3s2)c1 ZINC000179672101 822524089 /nfs/dbraw/zinc/52/40/89/822524089.db2.gz QFNBUMZITUFDBW-INIZCTEOSA-N 1 0 397.544 4.093 20 0 GIADRO Cc1ccc(C(=O)C2CCN(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)CC2)c(C)c1 ZINC000046889962 822526847 /nfs/dbraw/zinc/52/68/47/822526847.db2.gz QRQDYJGCYGSHSO-UHFFFAOYSA-N 1 0 399.579 4.217 20 0 GIADRO Cc1ccc(NC(=O)C[NH2+][C@H](C)c2cccc(OCc3ccccn3)c2)cc1 ZINC000179685649 822526927 /nfs/dbraw/zinc/52/69/27/822526927.db2.gz GHTOBCQPINXVGN-GOSISDBHSA-N 1 0 375.472 4.258 20 0 GIADRO Cc1ccc(NCc2nc3cc(Cl)ccc3n2C)cc1NC(=O)CC[NH+](C)C ZINC000183779037 822527369 /nfs/dbraw/zinc/52/73/69/822527369.db2.gz FJWISMNPFMZYFY-UHFFFAOYSA-N 1 0 399.926 4.037 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)Nc1nnc(C(C)(C)c2ccccc2)s1 ZINC000454748333 822527502 /nfs/dbraw/zinc/52/75/02/822527502.db2.gz XQJUQZLPTVAJSD-UHFFFAOYSA-N 1 0 389.569 4.106 20 0 GIADRO CCCCOc1ccc(C[NH+]2CCC(C(=O)N3CCCCC3)CC2)cc1OC ZINC000179687738 822527548 /nfs/dbraw/zinc/52/75/48/822527548.db2.gz RLIQIAIJXKJPCL-UHFFFAOYSA-N 1 0 388.552 4.099 20 0 GIADRO C[C@H]([NH2+]CCC(=O)Nc1ccc(F)cc1)c1cccc(OCc2ccccn2)c1 ZINC000179687622 822527619 /nfs/dbraw/zinc/52/76/19/822527619.db2.gz LBEZXHKNQPJWTF-KRWDZBQOSA-N 1 0 393.462 4.479 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1cccc(F)c1)c1cccc(OCc2ccccn2)c1 ZINC000179691372 822528202 /nfs/dbraw/zinc/52/82/02/822528202.db2.gz JPILUOJGPPMRTA-MRXNPFEDSA-N 1 0 379.435 4.089 20 0 GIADRO Cc1cc2c(cc1NC(=O)NC1CC[NH+]([C@H](C)c3ccccc3)CC1)OCO2 ZINC000183788618 822528290 /nfs/dbraw/zinc/52/82/90/822528290.db2.gz CDMFCKXQDNLJAD-MRXNPFEDSA-N 1 0 381.476 4.071 20 0 GIADRO Cc1ccccc1OC[C@@H](O)C[NH2+][C@H](C)c1cccc(OCc2ccccn2)c1 ZINC000179692732 822528661 /nfs/dbraw/zinc/52/86/61/822528661.db2.gz RTXCIKFIIMAZLT-KNQAVFIVSA-N 1 0 392.499 4.060 20 0 GIADRO COC(=O)c1ccc(C[NH2+][C@H](C)c2cccc(OCc3ccccn3)c2)s1 ZINC000179693758 822528860 /nfs/dbraw/zinc/52/88/60/822528860.db2.gz IYPUQSYUWSDPOM-OAHLLOKOSA-N 1 0 382.485 4.360 20 0 GIADRO CCOc1ccc([C@H]2CCCN2C(=O)C[NH2+]C2(c3cccc(F)c3)CC2)cc1 ZINC000179695086 822529272 /nfs/dbraw/zinc/52/92/72/822529272.db2.gz JSHKNTCHJKTRGZ-OAQYLSRUSA-N 1 0 382.479 4.167 20 0 GIADRO COC(=O)c1cccc(C[NH2+][C@H](C)c2cccc(OCc3ccccn3)c2)c1 ZINC000179695814 822529340 /nfs/dbraw/zinc/52/93/40/822529340.db2.gz JZCZHZFGJLGWLE-QGZVFWFLSA-N 1 0 376.456 4.298 20 0 GIADRO CCOc1ccccc1C[N@H+](CCCn1ccnc1)Cc1cnn2ccccc12 ZINC000179696724 822529599 /nfs/dbraw/zinc/52/95/99/822529599.db2.gz QRYONGDZSSADNK-UHFFFAOYSA-N 1 0 389.503 4.022 20 0 GIADRO C[NH+](C)Cc1cc(CNC(=O)c2cccc(Br)c2Cl)ccc1F ZINC000183805895 822530396 /nfs/dbraw/zinc/53/03/96/822530396.db2.gz WWSXASWNHOWEFA-UHFFFAOYSA-N 1 0 399.691 4.233 20 0 GIADRO O=C(NCCCSc1ccccc1)NCc1ccccc1C[NH+]1CCCC1 ZINC000046918622 822530606 /nfs/dbraw/zinc/53/06/06/822530606.db2.gz DTIXBMRQNBRGBM-UHFFFAOYSA-N 1 0 383.561 4.264 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(NC(N)=O)cc1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000183809324 822530559 /nfs/dbraw/zinc/53/05/59/822530559.db2.gz ZWDOHOBFZHRJEC-DAYGRLMNSA-N 1 0 390.528 4.006 20 0 GIADRO O=C1C[C@H]([NH2+]Cc2cccc3cnccc32)CN1Cc1ccccc1C(F)(F)F ZINC000183815371 822531098 /nfs/dbraw/zinc/53/10/98/822531098.db2.gz AQPOAJFYFWJCLB-SFHVURJKSA-N 1 0 399.416 4.144 20 0 GIADRO COc1cc(C[N@@H+]2CCC[C@@H]2c2cccn2C)ccc1OCc1ccncc1 ZINC000179704977 822531465 /nfs/dbraw/zinc/53/14/65/822531465.db2.gz UOYBBLVZIRXGND-OAQYLSRUSA-N 1 0 377.488 4.345 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)NCc2cccc(OCc3ccccn3)c2)o1 ZINC000046924327 822531475 /nfs/dbraw/zinc/53/14/75/822531475.db2.gz LECDYPHAZHYLQG-UHFFFAOYSA-N 1 0 393.487 4.025 20 0 GIADRO Cc1noc(C)c1CSCC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000046934136 822532389 /nfs/dbraw/zinc/53/23/89/822532389.db2.gz WUXUGSVZNMIHFA-OAHLLOKOSA-N 1 0 387.549 4.395 20 0 GIADRO CC(=O)N1CCc2cc(C(=O)Nc3ccc(C[N@H+]4CCC[C@@H](C)C4)cc3)ccc21 ZINC000046934530 822532525 /nfs/dbraw/zinc/53/25/25/822532525.db2.gz YVUVTZFOHLFHBZ-QGZVFWFLSA-N 1 0 391.515 4.080 20 0 GIADRO Brc1ccc2[nH]c(C[NH2+]Cc3ccc(-n4ccnc4)cc3)cc2c1 ZINC000183826343 822532827 /nfs/dbraw/zinc/53/28/27/822532827.db2.gz KEGPMPXBRDICFC-UHFFFAOYSA-N 1 0 381.277 4.406 20 0 GIADRO CCOc1ccc(-c2nc(C[N@@H+]3CCC[C@H](C4(C)OCCO4)C3)cs2)cc1 ZINC000183825598 822532832 /nfs/dbraw/zinc/53/28/32/822532832.db2.gz SHLMESUCMVPXBJ-KRWDZBQOSA-N 1 0 388.533 4.184 20 0 GIADRO CC[C@@H]([NH2+]CC(=O)Nc1cccc(C(C)=O)c1)c1ccccc1OC(F)F ZINC000179718708 822534500 /nfs/dbraw/zinc/53/45/00/822534500.db2.gz LEMLGHHSLBHDLW-QGZVFWFLSA-N 1 0 376.403 4.170 20 0 GIADRO CC[C@@H]([NH2+]Cc1cc(=O)oc2cc(O)ccc12)c1ccccc1OC(F)F ZINC000179718949 822534540 /nfs/dbraw/zinc/53/45/40/822534540.db2.gz RZFSTPXSRXRCAH-MRXNPFEDSA-N 1 0 375.371 4.341 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)CCc1ncc(-c2ccc(F)cc2)o1 ZINC000046988473 822535966 /nfs/dbraw/zinc/53/59/66/822535966.db2.gz ZXOVUMPJQOBRGJ-QGZVFWFLSA-N 1 0 387.499 4.184 20 0 GIADRO Cc1ccc(C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)cc1NC(=O)c1ccco1 ZINC000046990448 822536017 /nfs/dbraw/zinc/53/60/17/822536017.db2.gz SNXVHXGDQMSMHY-KRWDZBQOSA-N 1 0 397.519 4.082 20 0 GIADRO Cc1ccc(C(=O)NCCCC[NH+]2CCC(C)CC2)cc1NC(=O)c1ccco1 ZINC000047015664 822537809 /nfs/dbraw/zinc/53/78/09/822537809.db2.gz VESTWFVKBLDDQI-UHFFFAOYSA-N 1 0 397.519 4.082 20 0 GIADRO C[C@@H](NC(=O)C[NH2+][C@H](CCCO)c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000179734366 822538195 /nfs/dbraw/zinc/53/81/95/822538195.db2.gz KVIDKIDBWKWVES-AUUYWEPGSA-N 1 0 395.330 4.274 20 0 GIADRO CCOc1cc(C[N@@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)cc(Cl)c1OC ZINC000179736687 822538973 /nfs/dbraw/zinc/53/89/73/822538973.db2.gz CBVNNNDFYDLQIR-AWEZNQCLSA-N 1 0 398.931 4.094 20 0 GIADRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)CCc2ncc(-c3ccccc3)o2)C1 ZINC000047039606 822539175 /nfs/dbraw/zinc/53/91/75/822539175.db2.gz IOYPWBBUYMYLCZ-OALUTQOASA-N 1 0 383.536 4.149 20 0 GIADRO C[C@H](c1ccc(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)cc1)C(F)(F)F ZINC000454817095 822539984 /nfs/dbraw/zinc/53/99/84/822539984.db2.gz SCMDFKHKAWQJPG-OAHLLOKOSA-N 1 0 391.437 4.142 20 0 GIADRO CSc1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179740134 822540117 /nfs/dbraw/zinc/54/01/17/822540117.db2.gz RLJSTLLWDGYLMD-SZNDQCEHSA-N 1 0 398.528 4.248 20 0 GIADRO CN(C(=O)Nc1nc2ccsc2s1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000454819182 822540316 /nfs/dbraw/zinc/54/03/16/822540316.db2.gz NVUYSUJNTZBZEW-UHFFFAOYSA-N 1 0 392.472 4.238 20 0 GIADRO C[C@@H]1CCN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)[C@@H](c2ccco2)C1 ZINC000179743261 822540956 /nfs/dbraw/zinc/54/09/56/822540956.db2.gz SSRUXOVBHYHUMX-YLJYHZDGSA-N 1 0 382.508 4.074 20 0 GIADRO CC(C)c1cnc(-c2ccc(NC(=O)N3CC[C@@]4(C3)CCC[N@H+](C)C4)cc2)o1 ZINC000454822855 822540930 /nfs/dbraw/zinc/54/09/30/822540930.db2.gz WGYGKZDKUUWMQT-QFIPXVFZSA-N 1 0 382.508 4.415 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1cccc2[nH]ccc21)c1cccc(C(F)(F)F)c1 ZINC000183897272 822542411 /nfs/dbraw/zinc/54/24/11/822542411.db2.gz CUVPEIQUUPCHND-SFHVURJKSA-N 1 0 375.394 4.219 20 0 GIADRO CC[NH+](CC)Cc1cccc(N[C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)c1 ZINC000179750913 822542617 /nfs/dbraw/zinc/54/26/17/822542617.db2.gz HMTNRAGLRYRFDW-OAHLLOKOSA-N 1 0 378.513 4.244 20 0 GIADRO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179752681 822543157 /nfs/dbraw/zinc/54/31/57/822543157.db2.gz MXRJMOBJVHPPHL-LJQANCHMSA-N 1 0 392.547 4.308 20 0 GIADRO Cc1cc(Cl)ccc1NC(=O)C[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179754128 822543596 /nfs/dbraw/zinc/54/35/96/822543596.db2.gz PBNKOHHSTXZHSD-NRFANRHFSA-N 1 0 386.879 4.099 20 0 GIADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]C1(c2ccc(F)cc2F)CCC1 ZINC000179754808 822543752 /nfs/dbraw/zinc/54/37/52/822543752.db2.gz QYVTZWIQQWCLMY-GFCCVEGCSA-N 1 0 379.838 4.399 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N(Cc1ccco1)C1CCCC1 ZINC000179757171 822544459 /nfs/dbraw/zinc/54/44/59/822544459.db2.gz SBNNLAFFLWIZLW-UHFFFAOYSA-N 1 0 382.508 4.045 20 0 GIADRO CSc1cccc(NC(=O)C[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)c1 ZINC000179757570 822544482 /nfs/dbraw/zinc/54/44/82/822544482.db2.gz LPUNZXMSBRKFEI-CQSZACIVSA-N 1 0 383.517 4.046 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)N[C@@H](c2ncc(C)s2)C2CC2)CC1 ZINC000183914865 822545334 /nfs/dbraw/zinc/54/53/34/822545334.db2.gz HYUUITDGMNLMGE-LJQANCHMSA-N 1 0 392.613 4.446 20 0 GIADRO Cc1ccc2c(c1)[C@@H](Nc1cccc(C[NH+]3CCC(C(N)=O)CC3)c1)CCCO2 ZINC000179765135 822547134 /nfs/dbraw/zinc/54/71/34/822547134.db2.gz LIAXKBCVSQTBQC-QFIPXVFZSA-N 1 0 393.531 4.018 20 0 GIADRO Cc1cc(C)c([C@@H](C)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)cc1C ZINC000179765304 822547201 /nfs/dbraw/zinc/54/72/01/822547201.db2.gz OXFNNAFXRVUSLE-LJQANCHMSA-N 1 0 379.548 4.482 20 0 GIADRO Cc1ccccc1Sc1ccc(C(=O)N2CCC([N@H+](C)CCCO)CC2)cc1 ZINC000179765384 822547403 /nfs/dbraw/zinc/54/74/03/822547403.db2.gz REJZTYGCYYPSIY-UHFFFAOYSA-N 1 0 398.572 4.065 20 0 GIADRO COC(=O)c1cc2cc(C[NH2+][C@H](c3ccc4c(c3)OCCO4)C3CC3)ccc2o1 ZINC000179765440 822547430 /nfs/dbraw/zinc/54/74/30/822547430.db2.gz YPXGXMWMNRCLDC-QFIPXVFZSA-N 1 0 393.439 4.232 20 0 GIADRO C[C@H]([NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1ccccc1Cl ZINC000179766470 822547738 /nfs/dbraw/zinc/54/77/38/822547738.db2.gz XJABHCPWFHBAHE-RNODOKPDSA-N 1 0 386.879 4.179 20 0 GIADRO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000047144039 822548392 /nfs/dbraw/zinc/54/83/92/822548392.db2.gz LSORUHDQCLMUCF-GFCCVEGCSA-N 1 0 379.863 4.047 20 0 GIADRO CC[C@H](Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)c1ccc(N(C)C)cc1 ZINC000179769662 822548923 /nfs/dbraw/zinc/54/89/23/822548923.db2.gz ZODLLXNHWKUGJT-QHCPKHFHSA-N 1 0 394.563 4.013 20 0 GIADRO C[C@H]([NH2+]CCCc1nc(-c2ccccc2)no1)c1ccc(NC(=O)C2CC2)cc1 ZINC000179770920 822549239 /nfs/dbraw/zinc/54/92/39/822549239.db2.gz IAPIBRZBMINVFB-INIZCTEOSA-N 1 0 390.487 4.369 20 0 GIADRO CC1(C)C[C@@H](Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)c2ccccc21 ZINC000179773246 822549818 /nfs/dbraw/zinc/54/98/18/822549818.db2.gz BAOZEOFZDHWHEW-JOCHJYFZSA-N 1 0 377.532 4.218 20 0 GIADRO Cc1cccc(C[C@H](Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)C2CC2)c1 ZINC000179775447 822550393 /nfs/dbraw/zinc/55/03/93/822550393.db2.gz KLNMICAABIJBIN-DEOSSOPVSA-N 1 0 391.559 4.126 20 0 GIADRO Fc1cc(-c2ccncc2)ccc1C[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000179776539 822550558 /nfs/dbraw/zinc/55/05/58/822550558.db2.gz DZEOFOULIWSSQY-FQEVSTJZSA-N 1 0 387.462 4.310 20 0 GIADRO Cc1c(C(=O)Nc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)cnn1-c1ccccn1 ZINC000047191026 822553015 /nfs/dbraw/zinc/55/30/15/822553015.db2.gz BRNYZWBAKSCVHF-KRWDZBQOSA-N 1 0 389.503 4.202 20 0 GIADRO CCC(CC)[C@H]([NH2+]CC(=O)Nc1cccc(C(=O)N(C)C)c1)c1ccccc1 ZINC000179788736 822553445 /nfs/dbraw/zinc/55/34/45/822553445.db2.gz FNDDKZPZUJZTFO-QFIPXVFZSA-N 1 0 381.520 4.094 20 0 GIADRO CN(CC[N@H+](C)C1CC1)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000183971346 822555902 /nfs/dbraw/zinc/55/59/02/822555902.db2.gz FSVDKLFBHDZVMG-UHFFFAOYSA-N 1 0 394.544 4.445 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)Nc2ccc(-n3ncc4ccccc43)cc2)CC1 ZINC000183988516 822558866 /nfs/dbraw/zinc/55/88/66/822558866.db2.gz MYQLPGAJOHVLRK-UHFFFAOYSA-N 1 0 391.519 4.364 20 0 GIADRO COc1cc(Br)c(C[N@H+](C)C[C@@H](C)c2nccs2)cc1OC ZINC000184002647 822561832 /nfs/dbraw/zinc/56/18/32/822561832.db2.gz QOSIFFSQQGWFAB-LLVKDONJSA-N 1 0 385.327 4.158 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)Nc1nc(SCc2ccccc2)ns1 ZINC000454957045 822563052 /nfs/dbraw/zinc/56/30/52/822563052.db2.gz IHRHCWDGRCWLRZ-UHFFFAOYSA-N 1 0 393.582 4.072 20 0 GIADRO Cc1c([C@H](C)[NH2+]CCc2ccnn2C)cnn1-c1ccc(Cl)cc1Cl ZINC000184010830 822563360 /nfs/dbraw/zinc/56/33/60/822563360.db2.gz NSKOBCOCIXSUDT-LBPRGKRZSA-N 1 0 378.307 4.114 20 0 GIADRO CC[NH+](CC)CCOc1ccc(CNC(=O)Nc2cccc(C)c2)cc1OC ZINC000047321424 822565260 /nfs/dbraw/zinc/56/52/60/822565260.db2.gz JEBUOMIFKPPIME-UHFFFAOYSA-N 1 0 385.508 4.046 20 0 GIADRO Cc1nc2cc(NC(=O)N(C)C3CC[NH+](CCC(F)(F)F)CC3)ccc2o1 ZINC000454977353 822565520 /nfs/dbraw/zinc/56/55/20/822565520.db2.gz SMJGCKLXTPLJOX-UHFFFAOYSA-N 1 0 384.402 4.017 20 0 GIADRO O=C(NC[C@@H]1CCCC1(F)F)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000454991250 822566943 /nfs/dbraw/zinc/56/69/43/822566943.db2.gz ZNQWURSHQYHVNX-OALUTQOASA-N 1 0 379.495 4.023 20 0 GIADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)Nc3ccc(Cl)cc3Br)C2)C1 ZINC000455008166 822569591 /nfs/dbraw/zinc/56/95/91/822569591.db2.gz ZCJJSHGMUZEUEO-MRXNPFEDSA-N 1 0 386.721 4.052 20 0 GIADRO CC[NH+](CC)C1CCN(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000047348317 822569728 /nfs/dbraw/zinc/56/97/28/822569728.db2.gz DUWXVGKWRTURSR-UHFFFAOYSA-N 1 0 375.847 4.280 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)NCC(=O)Nc1ccccc1)C1CCCCC1 ZINC000047351186 822569894 /nfs/dbraw/zinc/56/98/94/822569894.db2.gz HDUMWIZYIFSPBP-UHFFFAOYSA-N 1 0 394.519 4.211 20 0 GIADRO CCC(CC)n1nc(C)cc1C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000179881253 822571035 /nfs/dbraw/zinc/57/10/35/822571035.db2.gz YNQKRPYOZVNWPG-UHFFFAOYSA-N 1 0 386.515 4.086 20 0 GIADRO O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)N1CCC([NH+]2CCCCC2)CC1 ZINC000047377676 822572717 /nfs/dbraw/zinc/57/27/17/822572717.db2.gz ZZENOJWTTXRMLK-UHFFFAOYSA-N 1 0 385.508 4.210 20 0 GIADRO CCOc1ccccc1Oc1ccc(C[NH2+]Cc2ccc(C(=O)OC)cc2)cn1 ZINC000179898976 822573391 /nfs/dbraw/zinc/57/33/91/822573391.db2.gz OTNVYYFXOMNZHA-UHFFFAOYSA-N 1 0 392.455 4.349 20 0 GIADRO C[NH+]1CCN(c2ccccc2NC(=O)N2CCC[C@H]2CCc2ccccc2)CC1 ZINC000047392996 822574092 /nfs/dbraw/zinc/57/40/92/822574092.db2.gz QYIGCBOLABTUDS-NRFANRHFSA-N 1 0 392.547 4.068 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1 ZINC000455029467 822574792 /nfs/dbraw/zinc/57/47/92/822574792.db2.gz INJCKNXRPKVWQI-UHFFFAOYSA-N 1 0 390.915 4.141 20 0 GIADRO O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)N1CC[NH+](CC2CC2)CC1 ZINC000047397340 822575154 /nfs/dbraw/zinc/57/51/54/822575154.db2.gz FLIUZIMRICTZDR-UHFFFAOYSA-N 1 0 376.460 4.054 20 0 GIADRO Cc1ccc([C@@H](NC(=O)NCCCCC[NH+]2CCCC2)c2ccccn2)cc1 ZINC000455034368 822576246 /nfs/dbraw/zinc/57/62/46/822576246.db2.gz NCQUIGLMJATYAX-JOCHJYFZSA-N 1 0 380.536 4.045 20 0 GIADRO C[C@@H](F)CCNC(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000455036011 822576858 /nfs/dbraw/zinc/57/68/58/822576858.db2.gz HBSJSHDVUTXHIC-XLIONFOSSA-N 1 0 375.532 4.067 20 0 GIADRO CCc1nc2c(s1)[C@@H]([NH2+]CCCc1nc(-c3ccc(F)cc3)no1)CCC2 ZINC000184096861 822577346 /nfs/dbraw/zinc/57/73/46/822577346.db2.gz GBQWQWBCODGAQX-HNNXBMFYSA-N 1 0 386.496 4.494 20 0 GIADRO O=C(CCC(=O)Nc1ccc(C[NH+]2CCCC2)cc1)CCC(=O)c1cccs1 ZINC000047435893 822578811 /nfs/dbraw/zinc/57/88/11/822578811.db2.gz ZAHLCZQPDSEUDC-UHFFFAOYSA-N 1 0 398.528 4.295 20 0 GIADRO Cc1ccc(C(=O)NCC2([NH+](C)C)CCCCC2)cc1NC(=O)c1ccccc1 ZINC000047441424 822579464 /nfs/dbraw/zinc/57/94/64/822579464.db2.gz LCBSNRQKHAGOQM-UHFFFAOYSA-N 1 0 393.531 4.242 20 0 GIADRO CCCOc1c(Cl)cc(C(=O)Nc2cccc(C[NH+](C)C)c2)cc1OC ZINC000047453271 822581016 /nfs/dbraw/zinc/58/10/16/822581016.db2.gz BNMAOYYKROXZBA-UHFFFAOYSA-N 1 0 376.884 4.451 20 0 GIADRO CCS(=O)(=O)c1ccc(C[NH2+][C@H]2CC3(CCCC3)Oc3ccccc32)cc1 ZINC000179947254 822583375 /nfs/dbraw/zinc/58/33/75/822583375.db2.gz UNWVKVYVQIKJAI-FQEVSTJZSA-N 1 0 385.529 4.406 20 0 GIADRO CC[C@@H](C)n1ncc(NC(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)c1C1CC1 ZINC000455065406 822583579 /nfs/dbraw/zinc/58/35/79/822583579.db2.gz VZEQWVQELCAWFV-AEFFLSMTSA-N 1 0 375.561 4.364 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)c2ccc(CSc3nccn3C)o2)c1 ZINC000047490172 822583783 /nfs/dbraw/zinc/58/37/83/822583783.db2.gz IVCWGAAKQUIYLF-UHFFFAOYSA-N 1 0 398.532 4.400 20 0 GIADRO Cc1ccc([C@H]([NH2+]CCc2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000179955882 822585232 /nfs/dbraw/zinc/58/52/32/822585232.db2.gz ZJAQFOYKYZOJSG-QHCPKHFHSA-N 1 0 397.515 4.459 20 0 GIADRO COc1cc(C[NH+]2CCC(C(F)(F)F)CC2)ccc1OCc1ccncc1 ZINC000179963233 822586538 /nfs/dbraw/zinc/58/65/38/822586538.db2.gz RYRZHAGACSJRMS-UHFFFAOYSA-N 1 0 380.410 4.444 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000047522220 822586838 /nfs/dbraw/zinc/58/68/38/822586838.db2.gz DUVADBSFXHQXQV-SFHVURJKSA-N 1 0 391.515 4.440 20 0 GIADRO COc1cc(C(=O)Nc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)cc(OC)c1OC ZINC000047522239 822586896 /nfs/dbraw/zinc/58/68/96/822586896.db2.gz GDYGSRJMVIUWMR-INIZCTEOSA-N 1 0 398.503 4.339 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cccc(N3CCCC3=O)c2)cc1 ZINC000047522364 822586940 /nfs/dbraw/zinc/58/69/40/822586940.db2.gz YKIFLJLVOHRADB-GOSISDBHSA-N 1 0 391.515 4.440 20 0 GIADRO [NH3+]CC1(CC(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)CCCCC1 ZINC000184158229 822587791 /nfs/dbraw/zinc/58/77/91/822587791.db2.gz YIGUGORTLXPJNN-UHFFFAOYSA-N 1 0 376.928 4.061 20 0 GIADRO CC[NH+](CC)CCOC1CCN(C(=O)N[C@@H](C)c2ccc(F)cc2Cl)CC1 ZINC000455095831 822588346 /nfs/dbraw/zinc/58/83/46/822588346.db2.gz DETXQKCYJARSSN-HNNXBMFYSA-N 1 0 399.938 4.073 20 0 GIADRO Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)Nc2cccc(C[NH+](C)C)c2)cc1 ZINC000047538362 822588462 /nfs/dbraw/zinc/58/84/62/822588462.db2.gz OUOKWMAFTLIHBQ-UHFFFAOYSA-N 1 0 395.532 4.007 20 0 GIADRO Cn1cc([C@@H]([NH2+]C[C@H](c2ccco2)N2CCCCC2)c2cccc(F)c2)cn1 ZINC000179980032 822589651 /nfs/dbraw/zinc/58/96/51/822589651.db2.gz HROWFEAYTWSDKA-IRLDBZIGSA-N 1 0 382.483 4.058 20 0 GIADRO COc1ccc2oc(C[NH2+]CCCc3nc(-c4ccc(F)cc4)no3)cc2c1 ZINC000184168348 822589673 /nfs/dbraw/zinc/58/96/73/822589673.db2.gz MERCXKCEDFTBLP-UHFFFAOYSA-N 1 0 381.407 4.353 20 0 GIADRO Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)CC1(C[NH3+])CCCCC1 ZINC000184168913 822589701 /nfs/dbraw/zinc/58/97/01/822589701.db2.gz PHDRSEGEISDENC-QGZVFWFLSA-N 1 0 385.552 4.105 20 0 GIADRO N#Cc1ccc(C[NH+]2CCC(Nc3ccc(OC(F)F)c(F)c3)CC2)cc1 ZINC000179980774 822589824 /nfs/dbraw/zinc/58/98/24/822589824.db2.gz CFIWHJGKOPVJBS-UHFFFAOYSA-N 1 0 375.394 4.375 20 0 GIADRO CC(C)c1csc([C@@H]2CCCN(C(=O)NCCCCC[NH+]3CCCC3)C2)n1 ZINC000455111585 822590575 /nfs/dbraw/zinc/59/05/75/822590575.db2.gz HJYYTJUEIBTFKJ-GOSISDBHSA-N 1 0 392.613 4.422 20 0 GIADRO CC[C@@]1(C(=O)Nc2cc(C[NH+](C)C)ccc2C)CCCN1C(=O)OC(C)(C)C ZINC000179992693 822592234 /nfs/dbraw/zinc/59/22/34/822592234.db2.gz RHIRHNUXYXPNSG-QFIPXVFZSA-N 1 0 389.540 4.175 20 0 GIADRO COc1ccc(NC(=O)N(CC[NH+](C)C)Cc2cccs2)cc1OC(C)C ZINC000184183801 822592324 /nfs/dbraw/zinc/59/23/24/822592324.db2.gz NKYKANBBWHBXLA-UHFFFAOYSA-N 1 0 391.537 4.140 20 0 GIADRO Cc1ccc(Br)cc1NC(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000047570825 822592335 /nfs/dbraw/zinc/59/23/35/822592335.db2.gz YAMZSTOKOCTQOK-UHFFFAOYSA-N 1 0 390.325 4.353 20 0 GIADRO CCOc1cc(F)ccc1NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000047583731 822593686 /nfs/dbraw/zinc/59/36/86/822593686.db2.gz ZJMXJASPXCCQLN-UHFFFAOYSA-N 1 0 389.446 4.150 20 0 GIADRO O=C(c1ccccc1F)N1CCC[N@H+](Cc2cccc(-c3ccccn3)c2)CC1 ZINC000180003192 822593746 /nfs/dbraw/zinc/59/37/46/822593746.db2.gz IXHJOZKKECJPRJ-UHFFFAOYSA-N 1 0 389.474 4.236 20 0 GIADRO CCS(=O)(=O)N1CCC([NH2+][C@H](c2ccc(Cl)c(Cl)c2)C(C)C)CC1 ZINC000180006253 822594578 /nfs/dbraw/zinc/59/45/78/822594578.db2.gz HQZVPYQUGKHGJR-KRWDZBQOSA-N 1 0 393.380 4.094 20 0 GIADRO Brc1ccc([C@H]([NH2+]Cc2cccnc2-n2cccn2)C2CC2)cc1 ZINC000180009586 822595406 /nfs/dbraw/zinc/59/54/06/822595406.db2.gz YAJZFQHLTHEKHS-GOSISDBHSA-N 1 0 383.293 4.271 20 0 GIADRO C[C@H]([NH2+]C[C@H]1COC2(CCCCCC2)O1)c1ccc(OCc2nccn2C)cc1 ZINC000180011031 822595939 /nfs/dbraw/zinc/59/59/39/822595939.db2.gz HHVWGVGEYALJQD-RXVVDRJESA-N 1 0 399.535 4.116 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(CN2CCCC2=O)c1)c1nc2ccc(Cl)cc2n1C ZINC000180014534 822596808 /nfs/dbraw/zinc/59/68/08/822596808.db2.gz KWYIYVFFRAUTGT-HNNXBMFYSA-N 1 0 396.922 4.200 20 0 GIADRO COc1cccc2[nH]cc(CC(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)c21 ZINC000180015711 822597128 /nfs/dbraw/zinc/59/71/28/822597128.db2.gz FGCHQMFDJJEHKC-UHFFFAOYSA-N 1 0 391.515 4.021 20 0 GIADRO COc1ccc(NC(=O)N2CCC(CCC[NH+](C)C)CC2)cc1OC(C)C ZINC000184217991 822597695 /nfs/dbraw/zinc/59/76/95/822597695.db2.gz SNPPYECCTPUNLW-UHFFFAOYSA-N 1 0 377.529 4.068 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1ccc(-c2cnco2)cc1 ZINC000047623448 822597756 /nfs/dbraw/zinc/59/77/56/822597756.db2.gz JSPPOFUDTJXGAA-UHFFFAOYSA-N 1 0 375.472 4.258 20 0 GIADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1scnc1C1CCCC1 ZINC000184218346 822597976 /nfs/dbraw/zinc/59/79/76/822597976.db2.gz AUNXLICXVSBQNV-OAHLLOKOSA-N 1 0 375.563 4.429 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Nc1cccc(Cl)c1-n1cccn1)c1ccsc1 ZINC000047630138 822598184 /nfs/dbraw/zinc/59/81/84/822598184.db2.gz RUMVUZMXJOLWIR-INIZCTEOSA-N 1 0 389.912 4.012 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)Nc2ccc(OC)c(OC(C)C)c2)CC1 ZINC000184219541 822598220 /nfs/dbraw/zinc/59/82/20/822598220.db2.gz NJZRTGLBVIFDOF-UHFFFAOYSA-N 1 0 391.556 4.458 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1)c1nc2ccccc2n1C ZINC000180021888 822598579 /nfs/dbraw/zinc/59/85/79/822598579.db2.gz QGJXRQSUBMRRJR-LSDHHAIUSA-N 1 0 377.492 4.269 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)N3CC[C@H](C(F)(F)F)C[C@@H]3C)c2)CC1 ZINC000455157818 822598899 /nfs/dbraw/zinc/59/88/99/822598899.db2.gz MXBCNSJHVZGPCT-HOTGVXAUSA-N 1 0 398.473 4.023 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CN[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000180023679 822598962 /nfs/dbraw/zinc/59/89/62/822598962.db2.gz XONZOOLOJVCLCZ-HSZRJFAPSA-N 1 0 380.511 4.280 20 0 GIADRO COc1cc2c(cc1OC)[C@@H](c1cccs1)[N@H+](CCCc1cnn(C)c1)CC2 ZINC000047660181 822599150 /nfs/dbraw/zinc/59/91/50/822599150.db2.gz RQFCUPFSSPESIO-QFIPXVFZSA-N 1 0 397.544 4.079 20 0 GIADRO COc1cc2c(cc1OC)[C@H](c1cccs1)[N@H+](CCCc1cnn(C)c1)CC2 ZINC000047660178 822599179 /nfs/dbraw/zinc/59/91/79/822599179.db2.gz RQFCUPFSSPESIO-JOCHJYFZSA-N 1 0 397.544 4.079 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1N)C1CCCCC1 ZINC000184226103 822599266 /nfs/dbraw/zinc/59/92/66/822599266.db2.gz PPSGTRWGJSUGND-UHFFFAOYSA-N 1 0 382.464 4.194 20 0 GIADRO Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000184228073 822599681 /nfs/dbraw/zinc/59/96/81/822599681.db2.gz ZJACEUXJGQNLKR-UHFFFAOYSA-N 1 0 393.434 4.225 20 0 GIADRO CN(C)C(=O)COc1cccc(C[NH2+][C@H](c2ccccc2F)C2CCCC2)c1 ZINC000180026728 822599825 /nfs/dbraw/zinc/59/98/25/822599825.db2.gz UPZFFIUUSNHBHB-QHCPKHFHSA-N 1 0 384.495 4.314 20 0 GIADRO CCCC(=O)Nc1cccc(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000047714913 822602845 /nfs/dbraw/zinc/60/28/45/822602845.db2.gz GEYKCVTVNNXPOV-UHFFFAOYSA-N 1 0 394.519 4.211 20 0 GIADRO CCCN(CCC[NH+](C)C)C(=O)Nc1cc(Br)cc2nc(C)oc21 ZINC000455187102 822603821 /nfs/dbraw/zinc/60/38/21/822603821.db2.gz VIAJCVHCTMJFHU-UHFFFAOYSA-N 1 0 397.317 4.094 20 0 GIADRO CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]Cc2cc(OC)ccc2OC)cc1 ZINC000047724623 822604139 /nfs/dbraw/zinc/60/41/39/822604139.db2.gz GENNJYCMMVKBPJ-MRXNPFEDSA-N 1 0 385.508 4.428 20 0 GIADRO CCOC(=O)C1CCC([NH2+]Cc2ccnc(Oc3ccc(OCC)cc3)c2)CC1 ZINC000180048589 822604208 /nfs/dbraw/zinc/60/42/08/822604208.db2.gz ZPFFWQLCGAYIMF-UHFFFAOYSA-N 1 0 398.503 4.484 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000180051359 822604858 /nfs/dbraw/zinc/60/48/58/822604858.db2.gz VNLUEZXDGYRSAX-UHFFFAOYSA-N 1 0 394.397 4.018 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)[C@H](C)c3ccc(Cl)s3)c2)CC1 ZINC000184262156 822605151 /nfs/dbraw/zinc/60/51/51/822605151.db2.gz AQTDUEIADIJFBS-CQSZACIVSA-N 1 0 377.941 4.286 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1ccc(F)c(Br)c1 ZINC000180056245 822605468 /nfs/dbraw/zinc/60/54/68/822605468.db2.gz WESNABIVIIUBJF-UGSOOPFHSA-N 1 0 378.289 4.306 20 0 GIADRO COc1cccc([C@H]2[C@H](NC(=O)Nc3nc(C4CC4)cs3)CC[N@@H+]2C2CC2)c1 ZINC000180067677 822608314 /nfs/dbraw/zinc/60/83/14/822608314.db2.gz YDJVISACHYNBDU-MJGOQNOKSA-N 1 0 398.532 4.129 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)Nc1nnc(-c2ccco2)s1 ZINC000047784236 822609146 /nfs/dbraw/zinc/60/91/46/822609146.db2.gz JNLUREJFQZFICY-UHFFFAOYSA-N 1 0 397.504 4.106 20 0 GIADRO COc1ccc(C(=O)Nc2cccc(C[NH2+]C[C@H](C)c3nccs3)c2)cc1 ZINC000184292480 822609786 /nfs/dbraw/zinc/60/97/86/822609786.db2.gz BVWCSTUPEBGWGB-HNNXBMFYSA-N 1 0 381.501 4.297 20 0 GIADRO CN(C)c1cc[nH+]cc1C(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC000184305308 822611416 /nfs/dbraw/zinc/61/14/16/822611416.db2.gz WKHCDHBLTARURH-UHFFFAOYSA-N 1 0 377.410 4.186 20 0 GIADRO COc1cc(NC(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)ccc1F ZINC000455223281 822611642 /nfs/dbraw/zinc/61/16/42/822611642.db2.gz JVIDLTOWFRGVIM-UHFFFAOYSA-N 1 0 397.494 4.354 20 0 GIADRO Cc1ccccc1[C@H]([NH2+]CC(=O)Nc1ccc(C(=O)N(C)C)cc1)C(C)(C)C ZINC000180083982 822611921 /nfs/dbraw/zinc/61/19/21/822611921.db2.gz PZCQWHCRXGDWLX-NRFANRHFSA-N 1 0 381.520 4.012 20 0 GIADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)Nc1cc2c(cc1C)OCO2 ZINC000180084646 822612102 /nfs/dbraw/zinc/61/21/02/822612102.db2.gz VPGPYMUMMRSXDY-UHFFFAOYSA-N 1 0 389.521 4.161 20 0 GIADRO C[C@@H]([NH2+]Cc1cnn(Cc2ccccc2Cl)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000047826818 822612819 /nfs/dbraw/zinc/61/28/19/822612819.db2.gz YIEHIIONLUZUFG-OAHLLOKOSA-N 1 0 394.906 4.320 20 0 GIADRO C[C@H]([NH2+]Cc1cc(Br)ccc1F)c1ccc2c(c1)CCC(=O)N2 ZINC000047827224 822612912 /nfs/dbraw/zinc/61/29/12/822612912.db2.gz YQPSDIKKCJDRBT-NSHDSACASA-N 1 0 377.257 4.324 20 0 GIADRO CCOc1cc(C[NH2+][C@@H](C)c2ccc3c(c2)CCC(=O)N3)ccc1OC(F)F ZINC000047827551 822612984 /nfs/dbraw/zinc/61/29/84/822612984.db2.gz UKVQVMXMNBIQGE-ZDUSSCGKSA-N 1 0 390.430 4.422 20 0 GIADRO CC[C@H](NC(=O)NC[C@@H](c1cccs1)[NH+](C)C)c1ccccc1OC(F)F ZINC000047832340 822613201 /nfs/dbraw/zinc/61/32/01/822613201.db2.gz OPLSKISRHMWCFZ-GJZGRUSLSA-N 1 0 397.491 4.403 20 0 GIADRO C[C@H]([NH2+]CC1(C)CCN(C(=O)OC(C)(C)C)CC1)c1ccc([S@](C)=O)cc1 ZINC000184317306 822613495 /nfs/dbraw/zinc/61/34/95/822613495.db2.gz FRRVMSHWZOQQHZ-OQRWROFFSA-N 1 0 394.581 4.112 20 0 GIADRO CO[C@H](C)C(=O)Nc1cccc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000180095616 822614504 /nfs/dbraw/zinc/61/45/04/822614504.db2.gz JRRBMPPUNHRTDP-JYBLXFRWSA-N 1 0 393.531 4.268 20 0 GIADRO C[C@H]([NH2+][C@@H](c1ccc(Cl)cc1)C1CCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000180097345 822614618 /nfs/dbraw/zinc/61/46/18/822614618.db2.gz NTWOJRSPQAEHOH-ORAYPTAESA-N 1 0 378.925 4.179 20 0 GIADRO COc1ccc2oc([C@H](C)[NH2+]C[C@@H](O)COCc3cccs3)c(C)c2c1 ZINC000184323003 822615098 /nfs/dbraw/zinc/61/50/98/822615098.db2.gz JGYQNKOVXHYOAV-LSDHHAIUSA-N 1 0 375.490 4.040 20 0 GIADRO COc1cc([C@H](C)[NH2+]Cc2cccc(C(=O)N(C)C)c2)ccc1OCC(C)C ZINC000180099773 822615293 /nfs/dbraw/zinc/61/52/93/822615293.db2.gz XUTUZBFOSQFCLS-KRWDZBQOSA-N 1 0 384.520 4.283 20 0 GIADRO C[C@H](NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccc(OC(F)F)cc1 ZINC000047871757 822615381 /nfs/dbraw/zinc/61/53/81/822615381.db2.gz VSVHYAVSOPPOCQ-YOEHRIQHSA-N 1 0 393.434 4.078 20 0 GIADRO CC(C)(C)OC(=O)NC1CCC([NH2+]CC2(c3ccccc3)CCOCC2)CC1 ZINC000180103236 822615654 /nfs/dbraw/zinc/61/56/54/822615654.db2.gz VSZDEWLYJATFIB-UHFFFAOYSA-N 1 0 388.552 4.160 20 0 GIADRO CC[C@@H](C(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1ccc(OC)cc1 ZINC000180104591 822615824 /nfs/dbraw/zinc/61/58/24/822615824.db2.gz NNWAQWXQZSOPBJ-OAQYLSRUSA-N 1 0 384.545 4.376 20 0 GIADRO COc1ccc2oc([C@H](C)[NH2+]CCC(=O)Nc3cc(N)ccc3F)c(C)c2c1 ZINC000184328194 822615835 /nfs/dbraw/zinc/61/58/35/822615835.db2.gz HSEWXLVBXZCTHR-ZDUSSCGKSA-N 1 0 385.439 4.151 20 0 GIADRO CC(C)Oc1ccccc1[C@@H](C)NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000047882472 822615964 /nfs/dbraw/zinc/61/59/64/822615964.db2.gz XRHBVPQGVTUGAU-MJGOQNOKSA-N 1 0 385.508 4.264 20 0 GIADRO COc1ccc2oc([C@@H](C)[NH2+][C@H](C)C(=O)NCc3cccc(OC)c3)c(C)c2c1 ZINC000184329589 822616023 /nfs/dbraw/zinc/61/60/23/822616023.db2.gz PJMHYWHMJHOXCG-HZPDHXFCSA-N 1 0 396.487 4.114 20 0 GIADRO CC(C)[NH+]1CCC(NC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)CC1 ZINC000047884200 822616213 /nfs/dbraw/zinc/61/62/13/822616213.db2.gz VKRVUZXMIGFPED-IBGZPJMESA-N 1 0 375.513 4.149 20 0 GIADRO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1cccc(CN2CCCC2=O)c1)CC3 ZINC000180106527 822616354 /nfs/dbraw/zinc/61/63/54/822616354.db2.gz KJWHRVREQROTPQ-FQEVSTJZSA-N 1 0 387.527 4.246 20 0 GIADRO CC[NH+](CC)[C@H](CN[C@@H](c1cnn(C)c1)c1cccc(F)c1)c1ccsc1 ZINC000180107324 822616623 /nfs/dbraw/zinc/61/66/23/822616623.db2.gz WEJKUZBTJQMTAJ-NHCUHLMSSA-N 1 0 386.540 4.383 20 0 GIADRO COc1ccc(OCc2ccccn2)c(CNCC[C@H](C)[NH+]2CCCCC2)c1 ZINC000184332307 822616832 /nfs/dbraw/zinc/61/68/32/822616832.db2.gz QWFLGQZNVYWDHB-IBGZPJMESA-N 1 0 383.536 4.023 20 0 GIADRO Cc1c2ccccc2oc1[C@@H]([NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1)C(C)C ZINC000180109663 822617273 /nfs/dbraw/zinc/61/72/73/822617273.db2.gz OHTRXYLCFYVDFO-QRWLVFNGSA-N 1 0 386.517 4.437 20 0 GIADRO CCOc1ccccc1NC(=O)C[NH2+][C@H](C)c1oc2ccc(OC)cc2c1C ZINC000184336044 822617703 /nfs/dbraw/zinc/61/77/03/822617703.db2.gz QFTFRFAMCZJEHK-OAHLLOKOSA-N 1 0 382.460 4.438 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)Nc1cccc(OC(F)F)c1 ZINC000047905858 822618316 /nfs/dbraw/zinc/61/83/16/822618316.db2.gz UEJBXDLVVWYERO-UHFFFAOYSA-N 1 0 377.435 4.450 20 0 GIADRO COc1ccc2oc([C@@H](C)[NH2+]CC(=O)N3CCC[C@@H](C(F)(F)F)C3)c(C)c2c1 ZINC000184342225 822618779 /nfs/dbraw/zinc/61/87/79/822618779.db2.gz VXTHRMYENYWESY-ZIAGYGMSSA-N 1 0 398.425 4.201 20 0 GIADRO COc1ccc2oc([C@H](C)[NH2+]C[C@H]3CN(c4ccccc4)C(=O)O3)c(C)c2c1 ZINC000184341528 822618783 /nfs/dbraw/zinc/61/87/83/822618783.db2.gz GOWSVSLGQZAVEJ-YJBOKZPZSA-N 1 0 380.444 4.426 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCN(c2ccccc2OC(F)F)C1)c1nc2ccccc2n1C ZINC000180120064 822619337 /nfs/dbraw/zinc/61/93/37/822619337.db2.gz LLSUYUVJBYGMMM-CABCVRRESA-N 1 0 386.446 4.104 20 0 GIADRO Cc1ccc(-n2ncc(NC(=O)NCCCC[N@H+](C)C3CC3)c2C(C)C)cc1 ZINC000455258842 822619660 /nfs/dbraw/zinc/61/96/60/822619660.db2.gz JMMFVWLQQRRHIZ-UHFFFAOYSA-N 1 0 383.540 4.300 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]CC(=O)N1CCC[C@@H](C)C1 ZINC000184349699 822620217 /nfs/dbraw/zinc/62/02/17/822620217.db2.gz VOUVHKXOHMYNKI-ZIAGYGMSSA-N 1 0 375.513 4.167 20 0 GIADRO CC[C@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl)c1nc(C)cs1 ZINC000184350520 822620436 /nfs/dbraw/zinc/62/04/36/822620436.db2.gz RNTDEKYKODJASU-OCCSQVGLSA-N 1 0 375.321 4.239 20 0 GIADRO C[N@@H+]1CC[C@@H](NC(=O)c2cc(Br)ccc2Cl)[C@@H]1c1ccccc1 ZINC000180125297 822620525 /nfs/dbraw/zinc/62/05/25/822620525.db2.gz CNAGLXIYYDCTJD-SJORKVTESA-N 1 0 393.712 4.278 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N[C@H]1CCCC[C@H]1CC(F)(F)F ZINC000455263187 822620580 /nfs/dbraw/zinc/62/05/80/822620580.db2.gz NGTIYPUXCYNKCZ-WMZOPIPTSA-N 1 0 398.473 4.108 20 0 GIADRO C[NH+](C)CCc1ccc(CNC(=O)N[C@H]2CCCC[C@H]2CC(F)(F)F)cc1 ZINC000455263185 822620621 /nfs/dbraw/zinc/62/06/21/822620621.db2.gz NGLVZJHFFDHNLH-ROUUACIJSA-N 1 0 385.474 4.101 20 0 GIADRO C[C@H](NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)c1nc2ccccc2n1C ZINC000180126370 822620714 /nfs/dbraw/zinc/62/07/14/822620714.db2.gz NLDVHCPPOUUWIE-OALUTQOASA-N 1 0 392.547 4.124 20 0 GIADRO CCOC(=O)Nc1ccc(NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000047946164 822621462 /nfs/dbraw/zinc/62/14/62/822621462.db2.gz QZFCAXVJZKRRSQ-FQEVSTJZSA-N 1 0 396.491 4.214 20 0 GIADRO CC(C)C[C@@H]([NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000180132244 822622372 /nfs/dbraw/zinc/62/23/72/822622372.db2.gz MLNZRBSVDFXUIQ-AUUYWEPGSA-N 1 0 380.941 4.425 20 0 GIADRO CC(C)CCn1ncc(NC(=O)NC2CC[NH+](C3CCC3)CC2)c1C(C)C ZINC000455272490 822623531 /nfs/dbraw/zinc/62/35/31/822623531.db2.gz XNYMGPCSYQJEJF-UHFFFAOYSA-N 1 0 375.561 4.191 20 0 GIADRO Cc1ccccc1C(NC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C)c1ccccc1C ZINC000184372522 822623924 /nfs/dbraw/zinc/62/39/24/822623924.db2.gz ITDFOXTZUJRGSS-SIKLNZKXSA-N 1 0 379.548 4.374 20 0 GIADRO O=C(Nc1ccc(Cl)cc1OC(F)F)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000184374280 822624064 /nfs/dbraw/zinc/62/40/64/822624064.db2.gz HZIAAICMZYPVGT-LRDDRELGSA-N 1 0 399.869 4.422 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(Cl)cc2OC(F)F)C1 ZINC000184379348 822625155 /nfs/dbraw/zinc/62/51/55/822625155.db2.gz RYYMJOLPAHBTRH-GFCCVEGCSA-N 1 0 375.847 4.137 20 0 GIADRO CCCc1c(NC(=O)NC(C)(C)CCC[NH+](C)C)cnn1-c1ccccc1C ZINC000455278366 822625121 /nfs/dbraw/zinc/62/51/21/822625121.db2.gz PUVQIFXWAQKVED-UHFFFAOYSA-N 1 0 385.556 4.375 20 0 GIADRO CC[C@@H](C)[C@@H](NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)C(F)(F)F ZINC000455280333 822625686 /nfs/dbraw/zinc/62/56/86/822625686.db2.gz GBJXAQYYEHXTFU-DGCLKSJQSA-N 1 0 391.400 4.022 20 0 GIADRO Cc1c(NC(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cccc1N(C)C ZINC000180144711 822625729 /nfs/dbraw/zinc/62/57/29/822625729.db2.gz JINYAEABAAUHLN-JXFKEZNVSA-N 1 0 386.565 4.327 20 0 GIADRO C[C@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=S)NCC[NH+](C)C ZINC000048040507 822626244 /nfs/dbraw/zinc/62/62/44/822626244.db2.gz NEIGVVYLTZWUKS-OAHLLOKOSA-N 1 0 396.025 4.271 20 0 GIADRO C[C@H]1CCCN(C(=O)C2CC[NH+](CCOc3ccc(Cl)cc3Cl)CC2)C1 ZINC000048046531 822626447 /nfs/dbraw/zinc/62/64/47/822626447.db2.gz RTOFAEVORPPSGP-HNNXBMFYSA-N 1 0 399.362 4.343 20 0 GIADRO CC[C@H]([NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)c1nc(C)cs1 ZINC000184388545 822626620 /nfs/dbraw/zinc/62/66/20/822626620.db2.gz FVGCZTJCHVUUFI-FZMZJTMJSA-N 1 0 375.321 4.239 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)Nc1cc2c(cc1Br)CCC2 ZINC000455285130 822627197 /nfs/dbraw/zinc/62/71/97/822627197.db2.gz QEKJKFFBKQDBIC-UHFFFAOYSA-N 1 0 382.346 4.180 20 0 GIADRO CCOc1ccc(NC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)cc1OCC ZINC000048054629 822627541 /nfs/dbraw/zinc/62/75/41/822627541.db2.gz OKIVWSGPVPZXSI-UHFFFAOYSA-N 1 0 377.529 4.068 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)c2ncccc2C(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000180154638 822628321 /nfs/dbraw/zinc/62/83/21/822628321.db2.gz UQJXHLYSCHZFLM-RDJZCZTQSA-N 1 0 391.437 4.226 20 0 GIADRO CCn1ccnc1[C@H]([NH2+]C1CCCC1)c1ccc(I)cc1 ZINC000180156266 822628813 /nfs/dbraw/zinc/62/88/13/822628813.db2.gz GLEWIHPVYGWYQG-MRXNPFEDSA-N 1 0 395.288 4.129 20 0 GIADRO COc1ccc([C@@H]([NH2+]C[C@H](c2ccc(OC)c(OC)c2)N(C)C)C2CC2)cc1 ZINC000180159183 822629429 /nfs/dbraw/zinc/62/94/29/822629429.db2.gz CRBZQZMLDBCIHS-OFNKIYASSA-N 1 0 384.520 4.056 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1sccc1Br)c1ccccc1 ZINC000048093698 822631149 /nfs/dbraw/zinc/63/11/49/822631149.db2.gz KFEWXLCKVHLRIE-OAHLLOKOSA-N 1 0 381.339 4.324 20 0 GIADRO CCC(CC)C(=O)N1CCC([NH2+][C@H]2CCc3[nH]c4ccc(C)cc4c3C2)CC1 ZINC000180169470 822631610 /nfs/dbraw/zinc/63/16/10/822631610.db2.gz KPOBANOINUWTKY-IBGZPJMESA-N 1 0 381.564 4.350 20 0 GIADRO CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000180170658 822631764 /nfs/dbraw/zinc/63/17/64/822631764.db2.gz DALSTZCKPWLOKX-KRWDZBQOSA-N 1 0 391.987 4.315 20 0 GIADRO C[C@H]([NH2+]CCc1nc(-c2ccc(Cl)cc2)no1)c1nc2ccccc2n1C ZINC000180171050 822631781 /nfs/dbraw/zinc/63/17/81/822631781.db2.gz CWBNHBMOIIWCOG-ZDUSSCGKSA-N 1 0 381.867 4.170 20 0 GIADRO COc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1OC1CCCC1 ZINC000184427884 822633134 /nfs/dbraw/zinc/63/31/34/822633134.db2.gz HFLOPUYDOGXRQI-GHTZIAJQSA-N 1 0 398.547 4.106 20 0 GIADRO C[C@H]([NH2+][C@@H](Cc1ccccc1)c1cccs1)c1ccc(S(N)(=O)=O)cc1 ZINC000180178890 822633393 /nfs/dbraw/zinc/63/33/93/822633393.db2.gz JJTLESGRLAGJPJ-KXBFYZLASA-N 1 0 386.542 4.030 20 0 GIADRO C[C@H](Cc1ccccc1Br)[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000180179495 822633521 /nfs/dbraw/zinc/63/35/21/822633521.db2.gz AKKYKFLFJANFQE-CYBMUJFWSA-N 1 0 393.291 4.387 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2cn(C)nc2-c2ccccc2)CC1 ZINC000180183130 822634384 /nfs/dbraw/zinc/63/43/84/822634384.db2.gz PIPUNSWDDZKAKP-IBGZPJMESA-N 1 0 394.563 4.204 20 0 GIADRO Cc1c(NC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2ccnc2)cccc1N(C)C ZINC000180187635 822635263 /nfs/dbraw/zinc/63/52/63/822635263.db2.gz VWWWLTSQDFKOJQ-VXKWHMMOSA-N 1 0 389.503 4.308 20 0 GIADRO Cc1c(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cnn1-c1cccc(Cl)c1 ZINC000180189996 822635764 /nfs/dbraw/zinc/63/57/64/822635764.db2.gz PQCGWZNLNJPOPU-LEWJYISDSA-N 1 0 394.906 4.009 20 0 GIADRO C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000048136754 822637202 /nfs/dbraw/zinc/63/72/02/822637202.db2.gz DNKOQBLHFGKXLS-HRAATJIYSA-N 1 0 377.488 4.129 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000048139005 822637646 /nfs/dbraw/zinc/63/76/46/822637646.db2.gz DHYFVKWOYYTDME-UHFFFAOYSA-N 1 0 389.883 4.362 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)NCc2cccc(NC(=O)C3CCC3)c2)cc1 ZINC000048156337 822640735 /nfs/dbraw/zinc/64/07/35/822640735.db2.gz DHMGQICLQGIJPE-UHFFFAOYSA-N 1 0 393.531 4.197 20 0 GIADRO O=C(Nc1cccc(OCc2cccc(F)c2)c1)NC1CC[NH+](C2CC2)CC1 ZINC000048162467 822641297 /nfs/dbraw/zinc/64/12/97/822641297.db2.gz XYPTWIPCFJIXKN-UHFFFAOYSA-N 1 0 383.467 4.153 20 0 GIADRO Cc1nc(-c2ccsc2)ccc1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180220059 822641830 /nfs/dbraw/zinc/64/18/30/822641830.db2.gz NHCOCHDKKDAMGX-UHFFFAOYSA-N 1 0 392.528 4.160 20 0 GIADRO C[NH+](C)Cc1cc(CNC(=O)c2ccc(C(F)(F)F)cc2Cl)ccc1F ZINC000180223927 822642806 /nfs/dbraw/zinc/64/28/06/822642806.db2.gz MXMWAUVHWPUHCW-UHFFFAOYSA-N 1 0 388.792 4.490 20 0 GIADRO CCC(=O)Nc1cccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)c1 ZINC000048183730 822643085 /nfs/dbraw/zinc/64/30/85/822643085.db2.gz JBNGXDHECGAWNS-LJQANCHMSA-N 1 0 399.560 4.300 20 0 GIADRO O=C(CCCCC(=O)c1ccccc1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000048185615 822643212 /nfs/dbraw/zinc/64/32/12/822643212.db2.gz IBZCZTGGHHLNPT-QFIPXVFZSA-N 1 0 378.516 4.383 20 0 GIADRO Cc1ccccc1C1(C[NH2+][C@H](c2cnn(C)c2)c2cccc(F)c2)CCOCC1 ZINC000180225433 822643197 /nfs/dbraw/zinc/64/31/97/822643197.db2.gz MAYLPSCPHAZHKG-QHCPKHFHSA-N 1 0 393.506 4.295 20 0 GIADRO O=C(NC[C@@H]1CCCC1(F)F)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000455393656 822645750 /nfs/dbraw/zinc/64/57/50/822645750.db2.gz COHCFGOHCBUWDB-FPOVZHCZSA-N 1 0 391.506 4.120 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)NCc1ncc(-c2ccccc2)o1 ZINC000048216187 822646004 /nfs/dbraw/zinc/64/60/04/822646004.db2.gz KBRWTXXKRDJFNK-UHFFFAOYSA-N 1 0 392.503 4.183 20 0 GIADRO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1coc(-c2cccs2)n1 ZINC000180242771 822646849 /nfs/dbraw/zinc/64/68/49/822646849.db2.gz VBVCYFWBZHGHSD-ZFWWWQNUSA-N 1 0 377.510 4.186 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1sccc1Br ZINC000048227866 822647028 /nfs/dbraw/zinc/64/70/28/822647028.db2.gz ZGOVQPATHFLQSS-UHFFFAOYSA-N 1 0 381.339 4.281 20 0 GIADRO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cc(F)c(F)c(F)c2)c2ccc(F)cc2C1 ZINC000184508981 822647420 /nfs/dbraw/zinc/64/74/20/822647420.db2.gz PAOCXATVPWXJOA-JEOXALJRSA-N 1 0 380.385 4.387 20 0 GIADRO CCCS(=O)(=O)CC[NH2+][C@H](C)c1sc(-c2ccc(Cl)cc2)nc1C ZINC000184512397 822648459 /nfs/dbraw/zinc/64/84/59/822648459.db2.gz GQVAXNDYEKANBG-GFCCVEGCSA-N 1 0 386.970 4.247 20 0 GIADRO CC[C@@H](C)NC(=O)CC[NH2+][C@H](c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000180251749 822648517 /nfs/dbraw/zinc/64/85/17/822648517.db2.gz FKDFJAWJQWDSQC-FOIQADDNSA-N 1 0 376.447 4.272 20 0 GIADRO CC(=O)c1cccc(OC[C@H](O)C[NH2+][C@H](C)c2nc(-c3ccccc3)cs2)c1 ZINC000184515707 822648860 /nfs/dbraw/zinc/64/88/60/822648860.db2.gz FUPHZVXTHHGAQM-DNVCBOLYSA-N 1 0 396.512 4.103 20 0 GIADRO CCOC[C@@H]1CCC[N@H+](Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000180258285 822649643 /nfs/dbraw/zinc/64/96/43/822649643.db2.gz XOPVFCJADWDAMM-CYBMUJFWSA-N 1 0 378.257 4.299 20 0 GIADRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000180259091 822649858 /nfs/dbraw/zinc/64/98/58/822649858.db2.gz IMLJZXOSQIQYNQ-HKUYNNGSSA-N 1 0 398.551 4.212 20 0 GIADRO Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000048267785 822649904 /nfs/dbraw/zinc/64/99/04/822649904.db2.gz SBAZMOHLCIGYMC-HUUCEWRRSA-N 1 0 393.597 4.139 20 0 GIADRO CC(=O)N1CC[C@H](NC2CC[NH+](C3CCCCC3)CC2)c2ccc(F)cc2C1 ZINC000184520285 822649990 /nfs/dbraw/zinc/64/99/90/822649990.db2.gz DTFNKVRCRKDVAN-QHCPKHFHSA-N 1 0 387.543 4.006 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1cc(NC(C)=O)ccc1C ZINC000048273663 822650735 /nfs/dbraw/zinc/65/07/35/822650735.db2.gz ZNFYKRJVUXTIPM-UHFFFAOYSA-N 1 0 382.508 4.117 20 0 GIADRO COc1ccc(O)c(C[NH+]2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)c1 ZINC000180264522 822650963 /nfs/dbraw/zinc/65/09/63/822650963.db2.gz RAZIRELRWBGCRT-UHFFFAOYSA-N 1 0 392.858 4.044 20 0 GIADRO CN(C)[C@@H](C[NH2+]Cc1ccc(N2CCCC2)nc1)c1cccc(C(F)(F)F)c1 ZINC000184531178 822652153 /nfs/dbraw/zinc/65/21/53/822652153.db2.gz DDXJSYIXRXTGKH-IBGZPJMESA-N 1 0 392.469 4.093 20 0 GIADRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)Cc3noc4ccccc34)cc2)C1 ZINC000048310895 822653043 /nfs/dbraw/zinc/65/30/43/822653043.db2.gz FBTMCQRXFQATAB-ROUUACIJSA-N 1 0 391.515 4.165 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]C[C@@H](O)COCc1ccco1 ZINC000184547617 822655320 /nfs/dbraw/zinc/65/53/20/822655320.db2.gz DQZNGELXZWOVJN-CRAIPNDOSA-N 1 0 386.517 4.248 20 0 GIADRO CC(C)(C)OC(=O)c1cccc(C[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c1 ZINC000180291174 822656970 /nfs/dbraw/zinc/65/69/70/822656970.db2.gz NGCZBZUYNMZELG-GOSISDBHSA-N 1 0 382.508 4.017 20 0 GIADRO Cc1nc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c(-c2ccccc2)o1 ZINC000184563740 822658042 /nfs/dbraw/zinc/65/80/42/822658042.db2.gz ZDOGRHXVNJDGHG-KRWDZBQOSA-N 1 0 395.528 4.354 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)C[NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)c1 ZINC000180296092 822658425 /nfs/dbraw/zinc/65/84/25/822658425.db2.gz GJEAXPAECICFKE-JOCHJYFZSA-N 1 0 383.467 4.244 20 0 GIADRO CCC(=O)Nc1ccc(NC(=O)NC2CC[NH+](Cc3cccc(C)c3)CC2)cc1 ZINC000048389672 822658501 /nfs/dbraw/zinc/65/85/01/822658501.db2.gz LJGYWYVMJUZTLV-UHFFFAOYSA-N 1 0 394.519 4.130 20 0 GIADRO COc1cccc(COc2cccc(NC(=O)N(C)CC[N@H+](C)C3CC3)c2C)c1 ZINC000184568824 822658803 /nfs/dbraw/zinc/65/88/03/822658803.db2.gz LGMHKPCPWCIFAK-UHFFFAOYSA-N 1 0 397.519 4.141 20 0 GIADRO C[C@H](NC(=O)NC1CC[NH+](C2CC2)CC1)C(c1ccccc1)c1ccccc1 ZINC000048395315 822659244 /nfs/dbraw/zinc/65/92/44/822659244.db2.gz FJAKXHRGHGEZAZ-SFHVURJKSA-N 1 0 377.532 4.133 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@@H]1CCc2cc(F)ccc21 ZINC000180309051 822661393 /nfs/dbraw/zinc/66/13/93/822661393.db2.gz TVMITUBOBUAEHT-JOCHJYFZSA-N 1 0 396.510 4.156 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1ccc(F)cc1Br ZINC000048451448 822662947 /nfs/dbraw/zinc/66/29/47/822662947.db2.gz OBPHOMUEHXLCFW-CYBMUJFWSA-N 1 0 386.309 4.364 20 0 GIADRO 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 822663193 /nfs/dbraw/zinc/66/31/93/822663193.db2.gz WIGAHCZUCRIQFD-SJQSHANBSA-N 1 0 395.469 4.423 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)CC1 ZINC000180323704 822663429 /nfs/dbraw/zinc/66/34/29/822663429.db2.gz KAFUBVQRZCGSSN-UHFFFAOYSA-N 1 0 393.491 4.133 20 0 GIADRO CSCC[C@H]([NH2+]CCCOc1c(C)cccc1C)c1nnc2ccccn21 ZINC000184608783 822665090 /nfs/dbraw/zinc/66/50/90/822665090.db2.gz REETYTSWIFAWBZ-SFHVURJKSA-N 1 0 384.549 4.199 20 0 GIADRO C[C@@H](c1ccccc1Br)N(C)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000455503152 822667069 /nfs/dbraw/zinc/66/70/69/822667069.db2.gz NOIKIGZDOFHNEH-AWEZNQCLSA-N 1 0 394.357 4.168 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1)c1ccc(-n2ccnn2)cc1 ZINC000180348923 822667869 /nfs/dbraw/zinc/66/78/69/822667869.db2.gz UPBKMNDIQJIWFN-MRXNPFEDSA-N 1 0 378.476 4.073 20 0 GIADRO Cc1cc(NC(=O)NCc2ccc(CC[NH+](C)C)cc2)ccc1-c1ccncc1 ZINC000455508781 822668267 /nfs/dbraw/zinc/66/82/67/822668267.db2.gz OMEIWPLXSFFZAX-UHFFFAOYSA-N 1 0 388.515 4.483 20 0 GIADRO Cc1cc(NC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)ccc1-c1ccncc1 ZINC000455511315 822668607 /nfs/dbraw/zinc/66/86/07/822668607.db2.gz QEISLORUZDPCAK-KRWDZBQOSA-N 1 0 378.520 4.395 20 0 GIADRO C[NH+](C)[C@H]1Cc2ccccc2N(C(=O)c2csc(Cc3cccc(F)c3)n2)C1 ZINC000180355667 822669201 /nfs/dbraw/zinc/66/92/01/822669201.db2.gz UBFRHLUUOLLKCL-SFHVURJKSA-N 1 0 395.503 4.006 20 0 GIADRO CCOc1cccc2cc([C@H](C)[NH2+]CC(=O)Nc3ccc(NC(C)=O)cc3)oc21 ZINC000180355790 822669246 /nfs/dbraw/zinc/66/92/46/822669246.db2.gz UWZJVVHQJKLXEO-AWEZNQCLSA-N 1 0 395.459 4.079 20 0 GIADRO CC(C)Oc1ccc(-c2ccc(NC(=O)N3C[C@@H]4CC[N@H+](C)[C@@H]4C3)c(F)c2)cc1 ZINC000455520052 822669944 /nfs/dbraw/zinc/66/99/44/822669944.db2.gz WBFUDXFOEJUXRB-PGRDOPGGSA-N 1 0 397.494 4.448 20 0 GIADRO CSc1ccc([C@H](CNC(=O)Nc2cc(F)cc(F)c2F)[NH+](C)C)cc1 ZINC000455533017 822671475 /nfs/dbraw/zinc/67/14/75/822671475.db2.gz GFMXHRZAZXSXCZ-INIZCTEOSA-N 1 0 383.439 4.250 20 0 GIADRO C[C@@H]([NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)c1nc(-c2cccc(F)c2)no1 ZINC000184665857 822672974 /nfs/dbraw/zinc/67/29/74/822672974.db2.gz WZWAOCNAGMPLHE-TUBUQKNSSA-N 1 0 389.471 4.427 20 0 GIADRO Cc1ccc([C@@H](C[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)N2CCCC2)o1 ZINC000180386353 822673653 /nfs/dbraw/zinc/67/36/53/822673653.db2.gz ZOXVTHQWUGLMCF-CTWPCTMYSA-N 1 0 391.556 4.150 20 0 GIADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1ccc(Br)cc1C(F)(F)F ZINC000180387856 822673853 /nfs/dbraw/zinc/67/38/53/822673853.db2.gz BRCYQUQBONQZLB-NSHDSACASA-N 1 0 393.247 4.072 20 0 GIADRO Brc1ccc2[nH]c(C[NH2+]C3CCN(c4nccs4)CC3)cc2c1 ZINC000184673317 822674019 /nfs/dbraw/zinc/67/40/19/822674019.db2.gz VLTRGAOPASJUKP-UHFFFAOYSA-N 1 0 391.338 4.146 20 0 GIADRO COc1cc(NC(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc(OC)c1C ZINC000455564850 822675366 /nfs/dbraw/zinc/67/53/66/822675366.db2.gz JFXVOJKFENQFPM-IEBWSBKVSA-N 1 0 397.519 4.044 20 0 GIADRO COc1ccc([C@H](CNC(=O)Nc2cc(F)cc(F)c2F)[NH+]2CCCC2)cc1 ZINC000455565917 822675573 /nfs/dbraw/zinc/67/55/73/822675573.db2.gz AQUJWESPRJDHKZ-SFHVURJKSA-N 1 0 393.409 4.071 20 0 GIADRO COc1cc(Cl)cc(C[NH+]2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)c1O ZINC000184687725 822676662 /nfs/dbraw/zinc/67/66/62/822676662.db2.gz UCBHGFXVEMFBHU-ZDUSSCGKSA-N 1 0 398.931 4.179 20 0 GIADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N(C)Cc2cc(F)c(F)c(F)c2)C1 ZINC000180417411 822678075 /nfs/dbraw/zinc/67/80/75/822678075.db2.gz FHDOEMOHYDZFRX-HUUCEWRRSA-N 1 0 385.474 4.003 20 0 GIADRO C[C@H]1CN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C[C@@H](c2ccccc2)O1 ZINC000184697506 822678283 /nfs/dbraw/zinc/67/82/83/822678283.db2.gz DVZSSSKUELQMGS-REWPJTCUSA-N 1 0 392.543 4.277 20 0 GIADRO COc1cc(NC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)cc(OC)c1C ZINC000455583728 822678629 /nfs/dbraw/zinc/67/86/29/822678629.db2.gz ZWBBDSFGVOQJCL-AEFFLSMTSA-N 1 0 389.540 4.131 20 0 GIADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N[C@@H](c1ccccc1)C(F)F ZINC000455585345 822678838 /nfs/dbraw/zinc/67/88/38/822678838.db2.gz BXPDSODVTHRQCX-RDJZCZTQSA-N 1 0 379.476 4.191 20 0 GIADRO CC(C)Cc1nc(C(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000180421623 822678863 /nfs/dbraw/zinc/67/88/63/822678863.db2.gz OQJXMIRWZDGMPN-UHFFFAOYSA-N 1 0 386.565 4.115 20 0 GIADRO Cn1c(Cl)c(Cl)cc1C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000180424970 822679526 /nfs/dbraw/zinc/67/95/26/822679526.db2.gz UBEIZAQTNRXCHP-UHFFFAOYSA-N 1 0 395.334 4.115 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)C3(c4cccc(F)c4)CC3)cc2)CC1 ZINC000180427034 822679608 /nfs/dbraw/zinc/67/96/08/822679608.db2.gz JXXFVIRMJNPKJN-UHFFFAOYSA-N 1 0 381.495 4.026 20 0 GIADRO CCC(CC)n1nccc1C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180427567 822679872 /nfs/dbraw/zinc/67/98/72/822679872.db2.gz VZRGDFXBOQOKRQ-UHFFFAOYSA-N 1 0 383.540 4.018 20 0 GIADRO Cc1ccccc1C[NH2+]Cc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000048744993 822680653 /nfs/dbraw/zinc/68/06/53/822680653.db2.gz CJDUIPCYNUUCRB-UHFFFAOYSA-N 1 0 390.506 4.146 20 0 GIADRO CCNC(=O)COc1ccc(C[NH2+][C@H](C)c2oc3ccccc3c2C)cc1OC ZINC000048747273 822680948 /nfs/dbraw/zinc/68/09/48/822680948.db2.gz WPULBGGGRSANEC-MRXNPFEDSA-N 1 0 396.487 4.116 20 0 GIADRO O=C(NCc1ccco1)c1cccc(C[NH2+]Cc2cccc(Br)c2)c1 ZINC000048748098 822680973 /nfs/dbraw/zinc/68/09/73/822680973.db2.gz QYNBSYJTJOOBNB-UHFFFAOYSA-N 1 0 399.288 4.262 20 0 GIADRO COc1cc([C@H](C)[NH2+]Cc2cccc3c2OCO3)ccc1OCc1ccncc1 ZINC000048746869 822681012 /nfs/dbraw/zinc/68/10/12/822681012.db2.gz WGXCHLGSZMDFBE-INIZCTEOSA-N 1 0 392.455 4.249 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)Cc1c[nH]c2ccc(F)cc12 ZINC000180435220 822681269 /nfs/dbraw/zinc/68/12/69/822681269.db2.gz ARZTZZIXYSNXBV-UHFFFAOYSA-N 1 0 394.494 4.010 20 0 GIADRO CCOc1ccc(Oc2cc(C[NH2+]Cc3ccc(OC)c(O)c3)ccn2)cc1 ZINC000048777918 822682461 /nfs/dbraw/zinc/68/24/61/822682461.db2.gz HKIALUKCVPONQS-UHFFFAOYSA-N 1 0 380.444 4.277 20 0 GIADRO Cc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c(C2CC2)n1 ZINC000455603053 822682555 /nfs/dbraw/zinc/68/25/55/822682555.db2.gz OTDNVIAJAAOUSI-SEJPIABJSA-N 1 0 375.516 4.193 20 0 GIADRO C[C@@H](Cc1ccccc1F)C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180445168 822683137 /nfs/dbraw/zinc/68/31/37/822683137.db2.gz BTISNCMJVYDUAV-SFHVURJKSA-N 1 0 383.511 4.164 20 0 GIADRO COc1ccccc1SC[C@H](C)C[NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000180445835 822683411 /nfs/dbraw/zinc/68/34/11/822683411.db2.gz RQFBZQPCBNBNTQ-DYXWJJEUSA-N 1 0 399.604 4.319 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cccc(C3CC3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000455621181 822685493 /nfs/dbraw/zinc/68/54/93/822685493.db2.gz QJUNFDMYNUXGNW-XLIONFOSSA-N 1 0 378.520 4.476 20 0 GIADRO COc1cc(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)ccc1OCc1cccs1 ZINC000180457425 822685726 /nfs/dbraw/zinc/68/57/26/822685726.db2.gz LEYOQENZLJQPMP-FXAWDEMLSA-N 1 0 391.558 4.042 20 0 GIADRO O=C(NCCC1CC(F)(F)C1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000455629049 822686391 /nfs/dbraw/zinc/68/63/91/822686391.db2.gz KWPOJYNNGFLXQU-UHFFFAOYSA-N 1 0 385.886 4.039 20 0 GIADRO COc1cc([C@@H](C)[NH2+]CCCc2cccc(Cl)c2)ccc1S(C)(=O)=O ZINC000180463312 822686677 /nfs/dbraw/zinc/68/66/77/822686677.db2.gz UXIKCZRTALOLAL-CQSZACIVSA-N 1 0 381.925 4.036 20 0 GIADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)Nc3cc(Cl)ccc3OC(F)(F)F)C2)C1 ZINC000455631878 822686985 /nfs/dbraw/zinc/68/69/85/822686985.db2.gz AICBDPZZVAPFMH-INIZCTEOSA-N 1 0 391.821 4.188 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cc(Cl)ccc2OC(F)(F)F)CC[N@@H+]1C ZINC000455633253 822687355 /nfs/dbraw/zinc/68/73/55/822687355.db2.gz CCUOPBCBHQUBPI-PWSUYJOCSA-N 1 0 379.810 4.185 20 0 GIADRO CCC(CC)[C@H]1C[C@@H](NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)CCO1 ZINC000180487301 822689949 /nfs/dbraw/zinc/68/99/49/822689949.db2.gz VHBYTDGVTUGISM-FCHUYYIVSA-N 1 0 387.568 4.065 20 0 GIADRO CC(C)(C)OC(=O)N1CC[C@@H](CC[NH2+][C@H](c2ccccc2)c2ccccn2)C1 ZINC000180499004 822691442 /nfs/dbraw/zinc/69/14/42/822691442.db2.gz DKMNQKAFODPZMO-WIYYLYMNSA-N 1 0 381.520 4.408 20 0 GIADRO COc1ccc(OC(F)F)c(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)c1 ZINC000180505861 822692846 /nfs/dbraw/zinc/69/28/46/822692846.db2.gz WHRJUOZOZMCGIZ-ZBFHGGJFSA-N 1 0 383.460 4.446 20 0 GIADRO Cc1cc(C)n2c(C[N@@H+]3CCCCC[C@@H]3C[C@H](O)c3cccs3)cnc2n1 ZINC000180509058 822693431 /nfs/dbraw/zinc/69/34/31/822693431.db2.gz YHERKUFQKDXLED-MJGOQNOKSA-N 1 0 384.549 4.276 20 0 GIADRO Cn1cc(C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2cccs2)c(-c2ccncc2)n1 ZINC000180509580 822693799 /nfs/dbraw/zinc/69/37/99/822693799.db2.gz ZRSQWXDKBHJFIO-UXHICEINSA-N 1 0 396.560 4.412 20 0 GIADRO O[C@@H](C[C@H]1CCCCC[N@@H+]1Cc1c[nH]nc1-c1cccnc1)c1cccs1 ZINC000180509388 822693803 /nfs/dbraw/zinc/69/38/03/822693803.db2.gz ZZIQQHZNIAHYJD-MOPGFXCFSA-N 1 0 382.533 4.402 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CC(=O)N1CCc2sccc2C1 ZINC000180529511 822696954 /nfs/dbraw/zinc/69/69/54/822696954.db2.gz GNSPTMZGNHWQHY-CQSZACIVSA-N 1 0 397.569 4.416 20 0 GIADRO O=C(NNc1cc[nH+]cc1)c1ccccc1OCc1ccc(Br)cc1 ZINC000180530853 822697107 /nfs/dbraw/zinc/69/71/07/822697107.db2.gz PXTNCKAELQNRCL-UHFFFAOYSA-N 1 0 398.260 4.180 20 0 GIADRO NC(=O)c1cccc(CC[NH2+][C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)c1 ZINC000180530790 822697121 /nfs/dbraw/zinc/69/71/21/822697121.db2.gz PCONEHKWNQMLIS-SFHVURJKSA-N 1 0 395.503 4.258 20 0 GIADRO O=C(NNc1cc[nH+]cc1)c1ccccc1OCc1ccccc1Br ZINC000180531182 822697376 /nfs/dbraw/zinc/69/73/76/822697376.db2.gz MGXDALQLNGSKFO-UHFFFAOYSA-N 1 0 398.260 4.180 20 0 GIADRO Cc1c2ccccc2oc1[C@@H](NC(=O)Nc1ccnn1CC[NH+](C)C)C(C)C ZINC000455674028 822697455 /nfs/dbraw/zinc/69/74/55/822697455.db2.gz ZSCHEVMKTJGNCE-IBGZPJMESA-N 1 0 383.496 4.018 20 0 GIADRO CC[NH+](CC)CCOc1ccc(NC(=O)Cc2c[nH]c3cccc(OC)c23)cc1 ZINC000180539957 822698641 /nfs/dbraw/zinc/69/86/41/822698641.db2.gz OKIAUFDYJZXHCB-UHFFFAOYSA-N 1 0 395.503 4.078 20 0 GIADRO COc1cc([C@@H](C)NC(=O)NCc2cccc(C[NH+](C)C)c2)ccc1OC(C)C ZINC000049331675 822699392 /nfs/dbraw/zinc/69/93/92/822699392.db2.gz DWKASYDHSNVSLR-QGZVFWFLSA-N 1 0 399.535 4.104 20 0 GIADRO COc1ccc([C@H](CNC(=O)Nc2cncc(Cl)c2C)[NH+]2CCCC2)cc1 ZINC000455682008 822699696 /nfs/dbraw/zinc/69/96/96/822699696.db2.gz BIKSWTADGFEBBO-IBGZPJMESA-N 1 0 388.899 4.011 20 0 GIADRO C[C@@H]1[C@H](NC(=O)Nc2nc(CC(F)(F)F)cs2)CC[N@@H+]1Cc1ccccc1 ZINC000455686313 822701206 /nfs/dbraw/zinc/70/12/06/822701206.db2.gz OCSNQHATUWSBIR-IUODEOHRSA-N 1 0 398.454 4.032 20 0 GIADRO COCC[C@](C)(O)C[NH2+][C@@H](c1ccccc1)c1cc(Br)ccc1F ZINC000180556590 822701889 /nfs/dbraw/zinc/70/18/89/822701889.db2.gz CFIYGLOYYJZQGT-OALUTQOASA-N 1 0 396.300 4.055 20 0 GIADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)C2(c3ccc(F)cc3F)CCC2)CC1 ZINC000180556984 822701903 /nfs/dbraw/zinc/70/19/03/822701903.db2.gz JVQVNTJYAFBXMG-INIZCTEOSA-N 1 0 399.485 4.123 20 0 GIADRO Cc1cc2ncc([C@H](C)[NH2+][C@@H]3CCc4c3cccc4Br)c(C)n2n1 ZINC000180563360 822703280 /nfs/dbraw/zinc/70/32/80/822703280.db2.gz LYTIZGFAXTXIED-KPZWWZAWSA-N 1 0 385.309 4.447 20 0 GIADRO Cc1ccc(F)c(Br)c1NC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000455692830 822703428 /nfs/dbraw/zinc/70/34/28/822703428.db2.gz KMHIJJFNDDVDSR-UHFFFAOYSA-N 1 0 386.309 4.140 20 0 GIADRO CCC[C@@H]([NH2+]Cc1cc(F)ccc1O)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000180570991 822704495 /nfs/dbraw/zinc/70/44/95/822704495.db2.gz QLMNGEKRXYTEEL-HXUWFJFHSA-N 1 0 385.483 4.029 20 0 GIADRO Cc1c(Cl)cncc1NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000455696164 822704786 /nfs/dbraw/zinc/70/47/86/822704786.db2.gz OCGPCRRQNXUQGM-ZWKOTPCHSA-N 1 0 384.911 4.029 20 0 GIADRO O=C1O[C@@H](C[NH2+][C@H](CC(F)(F)F)c2ccc(F)cc2)CN1c1ccccc1 ZINC000180580101 822705713 /nfs/dbraw/zinc/70/57/13/822705713.db2.gz UKLRJQOUKORQTG-DLBZAZTESA-N 1 0 382.357 4.434 20 0 GIADRO CCCN(CC[NH+](CC)CC)C(=O)Nc1ccc(N(C(C)=O)[C@H]2C[C@@H]2C)cc1 ZINC000455701797 822706676 /nfs/dbraw/zinc/70/66/76/822706676.db2.gz OUVAEHSHKXRWPT-UWJYYQICSA-N 1 0 388.556 4.034 20 0 GIADRO C[C@H](CC(=O)c1cccs1)NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000184887230 822707378 /nfs/dbraw/zinc/70/73/78/822707378.db2.gz LVOJDAQHOSICTB-QGZVFWFLSA-N 1 0 384.545 4.128 20 0 GIADRO C[C@@H](CC(=O)c1cccs1)NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000184887212 822707412 /nfs/dbraw/zinc/70/74/12/822707412.db2.gz LVOJDAQHOSICTB-KRWDZBQOSA-N 1 0 384.545 4.128 20 0 GIADRO CC(=O)N(c1ccc(NC(=O)NCCC[NH+](C(C)C)C(C)C)cc1)[C@@H]1C[C@H]1C ZINC000455704680 822707735 /nfs/dbraw/zinc/70/77/35/822707735.db2.gz RITVIWFEXORFJI-DYESRHJHSA-N 1 0 388.556 4.078 20 0 GIADRO Cc1cccc(CN(CC[NH+](C)C)C(=O)Nc2cn(C)nc2C2CCCCC2)c1 ZINC000455707285 822708755 /nfs/dbraw/zinc/70/87/55/822708755.db2.gz FHANYKLGCBDEOZ-UHFFFAOYSA-N 1 0 397.567 4.372 20 0 GIADRO C[C@@H]([NH2+]C[C@H](O)Cc1ccccc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000180602899 822709741 /nfs/dbraw/zinc/70/97/41/822709741.db2.gz YJCXQDMEKHXZNF-UZUQRXQVSA-N 1 0 392.474 4.332 20 0 GIADRO CC1CC[NH+]([C@@H](CNC(=O)N2CCC[C@H]2c2ccncc2)c2cccs2)CC1 ZINC000049790409 822709742 /nfs/dbraw/zinc/70/97/42/822709742.db2.gz ASKZJNYRPKKKDY-PMACEKPBSA-N 1 0 398.576 4.463 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)N(C)Cc1c(C)noc1C)c1ccccc1Cl ZINC000049794755 822709846 /nfs/dbraw/zinc/70/98/46/822709846.db2.gz WZZYFBIKNMCUGS-LJQANCHMSA-N 1 0 392.931 4.169 20 0 GIADRO C[C@H](NC(=O)N1CCC(C[NH+]2CCCC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000049795674 822710036 /nfs/dbraw/zinc/71/00/36/822710036.db2.gz IBRQEJJEJINNAE-HNNXBMFYSA-N 1 0 383.458 4.284 20 0 GIADRO CCCC[C@H]([NH2+]Cc1nnc(C(=O)Nc2ccc(OC)cc2)s1)C1CCC1 ZINC000184907995 822711415 /nfs/dbraw/zinc/71/14/15/822711415.db2.gz GGKRHZVMHNHIFP-KRWDZBQOSA-N 1 0 388.537 4.248 20 0 GIADRO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000180609516 822711518 /nfs/dbraw/zinc/71/15/18/822711518.db2.gz IHLILWKUAXXDBD-WZONZLPQSA-N 1 0 377.536 4.136 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)N3CC[C@H](c4ccccc4)[C@@H]3C)c2)CC1 ZINC000184909320 822711621 /nfs/dbraw/zinc/71/16/21/822711621.db2.gz JNLSKLFZUXTUHG-CVDCTZTESA-N 1 0 392.547 4.238 20 0 GIADRO Cc1ccc([C@H](CNC(=O)[C@@H]2C[C@@H]2c2cc(F)c(F)c(F)c2)[NH+]2CCCC2)o1 ZINC000184912722 822712139 /nfs/dbraw/zinc/71/21/39/822712139.db2.gz ZLBMEVLNPFXZKZ-RKVPGOIHSA-N 1 0 392.421 4.062 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccccc1OCCF ZINC000455718007 822712446 /nfs/dbraw/zinc/71/24/46/822712446.db2.gz AZLTYOUHTBIIAA-FQEVSTJZSA-N 1 0 399.510 4.411 20 0 GIADRO C[C@@H](NC(=O)Nc1nc(CC(F)(F)F)cs1)[C@@H](c1ccccc1)[NH+](C)C ZINC000455721455 822713493 /nfs/dbraw/zinc/71/34/93/822713493.db2.gz KDCMTJOAEMZEBW-RISCZKNCSA-N 1 0 386.443 4.061 20 0 GIADRO CC[C@H]([NH2+]Cc1cc(=O)oc2cc3c(cc12)CCC3)c1ccc2c(c1)OCCO2 ZINC000180622040 822714261 /nfs/dbraw/zinc/71/42/61/822714261.db2.gz BFJUKUAEJMROGL-FQEVSTJZSA-N 1 0 391.467 4.294 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1c[nH]cc1-c1ccc(Cl)s1)c1cccs1 ZINC000050024732 822714633 /nfs/dbraw/zinc/71/46/33/822714633.db2.gz JDKQPIGKACBNGJ-ZDUSSCGKSA-N 1 0 379.938 4.491 20 0 GIADRO CN1CCCc2cc(NC(=O)NC[C@@H]3CCC[N@H+](Cc4cccs4)C3)ccc21 ZINC000050059743 822716666 /nfs/dbraw/zinc/71/66/66/822716666.db2.gz GZDANOLITOGGTG-KRWDZBQOSA-N 1 0 398.576 4.164 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)Nc2nc(CC(F)(F)F)cs2)C[N@@H+]1Cc1ccccc1 ZINC000455735549 822716968 /nfs/dbraw/zinc/71/69/68/822716968.db2.gz YDABLLGOSWKNDC-OCCSQVGLSA-N 1 0 398.454 4.032 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2c(C)ccc(F)c2Br)[C@@H](C)C1 ZINC000455744250 822718451 /nfs/dbraw/zinc/71/84/51/822718451.db2.gz DUSSYLHHZVIZEI-GXTWGEPZSA-N 1 0 386.309 4.091 20 0 GIADRO CCCn1ncc(NC(=O)NCC2CC[NH+](CCC(C)C)CC2)c1C1CC1 ZINC000455749669 822719402 /nfs/dbraw/zinc/71/94/02/822719402.db2.gz IOVMTQCATWTIDE-UHFFFAOYSA-N 1 0 375.561 4.050 20 0 GIADRO COc1ccc(NC(=O)C[NH2+][C@H](Cc2ccccc2)c2cccs2)c(OC)c1 ZINC000184967889 822719637 /nfs/dbraw/zinc/71/96/37/822719637.db2.gz HJMOISJVDWCSPX-LJQANCHMSA-N 1 0 396.512 4.277 20 0 GIADRO Cc1ccc(CN(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)C2CC2)o1 ZINC000050137775 822720021 /nfs/dbraw/zinc/72/00/21/822720021.db2.gz QTXQUIGFYKKESF-QGZVFWFLSA-N 1 0 387.549 4.236 20 0 GIADRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)N(Cc1ccccc1)C1CC1 ZINC000050137049 822720038 /nfs/dbraw/zinc/72/00/38/822720038.db2.gz YZYOVRZCUGVZDZ-LJQANCHMSA-N 1 0 383.561 4.334 20 0 GIADRO Cc1cc([C@@H]2CCCN2C(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)on1 ZINC000050156493 822720486 /nfs/dbraw/zinc/72/04/86/822720486.db2.gz WOKCNFXSEYDBBF-LEWJYISDSA-N 1 0 396.535 4.303 20 0 GIADRO CCCn1ncc(NC(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1C1CC1 ZINC000455760052 822721319 /nfs/dbraw/zinc/72/13/19/822721319.db2.gz VOODPPFEBKUPHL-FQEVSTJZSA-N 1 0 395.551 4.299 20 0 GIADRO CCCn1ncc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1C1CC1 ZINC000455761786 822721589 /nfs/dbraw/zinc/72/15/89/822721589.db2.gz ZCEWTDFAOZGDJV-XLIONFOSSA-N 1 0 395.551 4.203 20 0 GIADRO CCCn1ncc(NC(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)c1C1CC1 ZINC000455761646 822721603 /nfs/dbraw/zinc/72/16/03/822721603.db2.gz YIYBFOOOCPSBCF-OAQYLSRUSA-N 1 0 395.551 4.203 20 0 GIADRO COC1CC[NH+](C2(CNC(=O)Nc3cccc(OC(C)C)c3)CCCC2)CC1 ZINC000455771173 822723414 /nfs/dbraw/zinc/72/34/14/822723414.db2.gz PHGZZLAFKCAXHW-UHFFFAOYSA-N 1 0 389.540 4.019 20 0 GIADRO O=C(C[NH2+][C@H](Cc1ccccc1)c1cccs1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000184998071 822723619 /nfs/dbraw/zinc/72/36/19/822723619.db2.gz KGAZHRZGDURNKE-IAGOWNOFSA-N 1 0 396.478 4.422 20 0 GIADRO Cc1nc2c(s1)[C@H]([NH2+][C@@H]1CCN(c3ccccc3C(F)(F)F)C1=O)CCC2 ZINC000185001815 822723969 /nfs/dbraw/zinc/72/39/69/822723969.db2.gz PPZYPCIMJPOZPU-HUUCEWRRSA-N 1 0 395.450 4.243 20 0 GIADRO CCCN(CC[NH+]1CCCCCC1)C(=O)Nc1ncc(C2CCOCC2)s1 ZINC000455773704 822724022 /nfs/dbraw/zinc/72/40/22/822724022.db2.gz CSWAJTFOTYJZJZ-UHFFFAOYSA-N 1 0 394.585 4.157 20 0 GIADRO CC(F)(F)c1ccccc1NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000455775754 822724426 /nfs/dbraw/zinc/72/44/26/822724426.db2.gz RRDOBFDECKJQHH-HDICACEKSA-N 1 0 385.458 4.394 20 0 GIADRO CC(C)C(=O)c1ccc(NC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000455808383 822730201 /nfs/dbraw/zinc/73/02/01/822730201.db2.gz AVNQCONYMKNHET-HXUWFJFHSA-N 1 0 393.531 4.211 20 0 GIADRO CCc1nc(C)c(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)s1 ZINC000050553902 822733351 /nfs/dbraw/zinc/73/33/51/822733351.db2.gz FAOYBODDEROUOX-UHFFFAOYSA-N 1 0 377.941 4.062 20 0 GIADRO CCCn1ncc(NC(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c1C1CC1 ZINC000455836609 822734279 /nfs/dbraw/zinc/73/42/79/822734279.db2.gz USFPBBBDQNVPDK-VQIMIIECSA-N 1 0 381.524 4.128 20 0 GIADRO CCCn1ncc(NC(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)c1C1CC1 ZINC000455840065 822734988 /nfs/dbraw/zinc/73/49/88/822734988.db2.gz XEIXVQSHKJHGMN-SFHVURJKSA-N 1 0 385.512 4.031 20 0 GIADRO C[C@@H](CCOCc1ccccc1)NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455846428 822736198 /nfs/dbraw/zinc/73/61/98/822736198.db2.gz IKEITOVPVMCMOJ-JTSKRJEESA-N 1 0 381.520 4.352 20 0 GIADRO CC[C@@H]([NH2+]C[C@H](O)COc1ccc(Oc2ccccc2)cc1)c1nccs1 ZINC000185095102 822736440 /nfs/dbraw/zinc/73/64/40/822736440.db2.gz FABLDVMVRGKJGG-OXJNMPFZSA-N 1 0 384.501 4.416 20 0 GIADRO CCOc1ccc([C@H](COC)NC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)cc1 ZINC000455853852 822737467 /nfs/dbraw/zinc/73/74/67/822737467.db2.gz MNHFEEUYYZDPGH-VXKWHMMOSA-N 1 0 397.519 4.143 20 0 GIADRO CN(Cc1cnn(-c2ccccc2)c1)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455854899 822737636 /nfs/dbraw/zinc/73/76/36/822737636.db2.gz GRDOKIJIWYSXQN-QFIPXVFZSA-N 1 0 389.503 4.085 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3Cc4ccccc4OC(C)(C)C3)ccc21 ZINC000455867872 822739716 /nfs/dbraw/zinc/73/97/16/822739716.db2.gz VIFOBCBFSFNGJC-HXUWFJFHSA-N 1 0 379.504 4.441 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CC4(CCOCC4)[C@@H]4CCC[C@@H]43)ccc21 ZINC000455867900 822739736 /nfs/dbraw/zinc/73/97/36/822739736.db2.gz VKZIINDGNPFYHS-HKBOAZHASA-N 1 0 383.536 4.049 20 0 GIADRO CC/C=C/CC[NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000185123865 822739999 /nfs/dbraw/zinc/73/99/99/822739999.db2.gz LQKGZEMBSGMQPJ-DPZZJQGRSA-N 1 0 379.472 4.404 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N[C@H]3CCc4cc(F)c(F)c(F)c43)ccc21 ZINC000455870338 822740174 /nfs/dbraw/zinc/74/01/74/822740174.db2.gz XGWQLGSJBHJAKY-IRXDYDNUSA-N 1 0 389.421 4.462 20 0 GIADRO COc1ccc2c(c1)C1(CC1)CN(C(=O)Nc1ccc3c(c1)CC[C@H]3[NH+](C)C)C2 ZINC000455870765 822740328 /nfs/dbraw/zinc/74/03/28/822740328.db2.gz XKYDQSMQTVRXKV-JOCHJYFZSA-N 1 0 391.515 4.323 20 0 GIADRO C[C@@H](C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)c1cn(C)c2ccccc12 ZINC000185127137 822740437 /nfs/dbraw/zinc/74/04/37/822740437.db2.gz RTZOZKRUDQZVLJ-LJQANCHMSA-N 1 0 389.543 4.310 20 0 GIADRO Cc1ccc(S(=O)(=O)C[C@@H](C)N[C@H](c2nc3ccccc3[nH]2)C(C)C)cc1 ZINC000185140280 822741857 /nfs/dbraw/zinc/74/18/57/822741857.db2.gz JFSUBTAFIJYPCM-UZLBHIALSA-N 1 0 385.533 4.020 20 0 GIADRO CC[NH+](CC)CCOc1ccc(CNC(=O)Nc2scnc2C(C)C)cc1 ZINC000455901410 822745057 /nfs/dbraw/zinc/74/50/57/822745057.db2.gz SMEIFUYJUPQXJW-UHFFFAOYSA-N 1 0 390.553 4.309 20 0 GIADRO CCOC(=O)CCc1ccc(NC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)cc1 ZINC000455901755 822745280 /nfs/dbraw/zinc/74/52/80/822745280.db2.gz GEMDGDQUGJSXDO-NRFANRHFSA-N 1 0 395.503 4.375 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N(CCc3ccccc3)[C@H]3CCOC3)ccc21 ZINC000455902897 822745384 /nfs/dbraw/zinc/74/53/84/822745384.db2.gz GNSGDASHJHUQBQ-JTHBVZDNSA-N 1 0 393.531 4.101 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)NCc3cccc(OC(F)F)c3)ccc21 ZINC000455905347 822746052 /nfs/dbraw/zinc/74/60/52/822746052.db2.gz HIASOWKOLNSZQY-SFHVURJKSA-N 1 0 375.419 4.159 20 0 GIADRO COc1ccccc1C[C@H](C)N(C)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455905425 822746080 /nfs/dbraw/zinc/74/60/80/822746080.db2.gz HMZGVZJSZARVCU-HRAATJIYSA-N 1 0 381.520 4.339 20 0 GIADRO CN(C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C1CC[NH+](C)CC1 ZINC000185179454 822746135 /nfs/dbraw/zinc/74/61/35/822746135.db2.gz OGUSCYJDUDIAOP-UHFFFAOYSA-N 1 0 393.409 4.059 20 0 GIADRO C[C@@H](c1nc(C2CC2)no1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000051127662 822746867 /nfs/dbraw/zinc/74/68/67/822746867.db2.gz WDXOHPDFWXHPMI-SFHVURJKSA-N 1 0 388.515 4.415 20 0 GIADRO C[N@@H+](CC(=O)N(Cc1ccccc1)C1CC1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051131997 822747092 /nfs/dbraw/zinc/74/70/92/822747092.db2.gz GQBFXFKXNAYUIB-WIOPSUGQSA-N 1 0 392.543 4.277 20 0 GIADRO COc1ccc(-c2nnc(C[N@H+](C)C[C@@H]3CCCO[C@@H]3c3ccccc3)o2)cc1 ZINC000051132797 822747162 /nfs/dbraw/zinc/74/71/62/822747162.db2.gz VHRUAPABCSFHTR-SIKLNZKXSA-N 1 0 393.487 4.345 20 0 GIADRO CC(=O)c1ccc(NC(=O)CC[N@@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)cc1 ZINC000051132631 822747229 /nfs/dbraw/zinc/74/72/29/822747229.db2.gz LPXGIDFRYXOPPL-XUZZJYLKSA-N 1 0 394.515 4.318 20 0 GIADRO CC(C)c1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000185189830 822747368 /nfs/dbraw/zinc/74/73/68/822747368.db2.gz LPNILWDEXBYVGH-BEFAXECRSA-N 1 0 389.540 4.030 20 0 GIADRO Cc1c(O)ccc2c(C[N@H+](C)C[C@@H]3CCCO[C@@H]3c3ccccc3)cc(=O)oc12 ZINC000051133219 822747501 /nfs/dbraw/zinc/74/75/01/822747501.db2.gz IEVQQTJQNYJUOU-MHECFPHRSA-N 1 0 393.483 4.407 20 0 GIADRO C[C@H](C(=O)N1CCc2ccccc21)[N@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133512 822747712 /nfs/dbraw/zinc/74/77/12/822747712.db2.gz MAZLDZFKKXMHRV-RZFNWQHOSA-N 1 0 378.516 4.064 20 0 GIADRO CC(=O)Nc1ccc(C[NH2+][C@@H]2CCN(c3ccccc3C(F)(F)F)C2)cc1 ZINC000185204224 822749229 /nfs/dbraw/zinc/74/92/29/822749229.db2.gz URPOIXDKKXCBNF-QGZVFWFLSA-N 1 0 377.410 4.032 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N(CCCO)[C@@H]3CCc4ccccc43)ccc21 ZINC000455920605 822749599 /nfs/dbraw/zinc/74/95/99/822749599.db2.gz LQIMYSOYMXKJES-DHIUTWEWSA-N 1 0 393.531 4.139 20 0 GIADRO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]CC(=O)Nc1cccc(F)c1 ZINC000051188727 822749905 /nfs/dbraw/zinc/74/99/05/822749905.db2.gz CNWZEMSFLOLQTC-UHFFFAOYSA-N 1 0 386.858 4.010 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)Cc1c(C)nn(C)c1C)c1cc(Br)ccc1O ZINC000185212994 822750012 /nfs/dbraw/zinc/75/00/12/822750012.db2.gz BREGXADRQWTPOX-GTNSWQLSSA-N 1 0 380.330 4.177 20 0 GIADRO COc1ccc(COCc2cccc(NCc3c[nH+]ccc3N(C)C)c2)cc1 ZINC000185217114 822750309 /nfs/dbraw/zinc/75/03/09/822750309.db2.gz IEVDBDQZNVMXLW-UHFFFAOYSA-N 1 0 377.488 4.485 20 0 GIADRO Cc1cc(N2CCSCC2)ccc1NC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000051236443 822751708 /nfs/dbraw/zinc/75/17/08/822751708.db2.gz INYRIANAWOVRID-UHFFFAOYSA-N 1 0 384.549 4.254 20 0 GIADRO COc1cc(C[N@H+](C[C@H](O)c2ccc(F)c(F)c2)C2CC2)ccc1OC(F)F ZINC000051262164 822752547 /nfs/dbraw/zinc/75/25/47/822752547.db2.gz WURZEAUBVNNPTN-KRWDZBQOSA-N 1 0 399.384 4.273 20 0 GIADRO C[C@@H](COc1ccc(F)cc1F)NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455941286 822754060 /nfs/dbraw/zinc/75/40/60/822754060.db2.gz UGJKZYGPZHLGCP-DJJJIMSYSA-N 1 0 389.446 4.103 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cc(COC(C)(C)C)on3)cc2)C1 ZINC000185245939 822754255 /nfs/dbraw/zinc/75/42/55/822754255.db2.gz OHCRITGMSINFMH-INIZCTEOSA-N 1 0 385.508 4.474 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCO[C@H](c4ccccc4Cl)C3)ccc21 ZINC000455943584 822754740 /nfs/dbraw/zinc/75/47/40/822754740.db2.gz VHFWLXFRLRWREI-RTWAWAEBSA-N 1 0 399.922 4.494 20 0 GIADRO CC[C@H]1CCCN(C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)C1 ZINC000455946355 822755732 /nfs/dbraw/zinc/75/57/32/822755732.db2.gz PYGWQTOEKSSUGD-HNNXBMFYSA-N 1 0 379.932 4.467 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CCC[C@@H]3c3ccc4c(c3)OCO4)ccc21 ZINC000455946668 822755764 /nfs/dbraw/zinc/75/57/64/822755764.db2.gz WZVHGRRPJNURIG-UXHICEINSA-N 1 0 393.487 4.333 20 0 GIADRO COc1cc(C[NH2+]C[C@H](O)c2ccc(OC(F)(F)F)cc2)ccc1OC(C)C ZINC000051326223 822756153 /nfs/dbraw/zinc/75/61/53/822756153.db2.gz PGBDSKPYZDVZSR-KRWDZBQOSA-N 1 0 399.409 4.204 20 0 GIADRO C[C@@H]1CCN(C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)CCS1 ZINC000455949108 822756362 /nfs/dbraw/zinc/75/63/62/822756362.db2.gz VYMIHECBIVPXEX-CQSZACIVSA-N 1 0 397.972 4.172 20 0 GIADRO CC(C)CCc1ccc(NC(=O)N2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)nc1 ZINC000455959679 822757496 /nfs/dbraw/zinc/75/74/96/822757496.db2.gz LRZVVFYGYAVBCF-NRFANRHFSA-N 1 0 395.551 4.051 20 0 GIADRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000185275225 822758227 /nfs/dbraw/zinc/75/82/27/822758227.db2.gz QHHNUNFGYPZTRH-LBPRGKRZSA-N 1 0 388.855 4.383 20 0 GIADRO Fc1ccc([C@H]([NH2+]Cc2cnc(N3CCOCC3)c(F)c2)C2CCCC2)cc1 ZINC000185279036 822758718 /nfs/dbraw/zinc/75/87/18/822758718.db2.gz FRPLJTISPLXRGY-OAQYLSRUSA-N 1 0 387.474 4.218 20 0 GIADRO O=C([C@H]1C[C@H]1c1cc(F)c(F)c(F)c1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000185284879 822759547 /nfs/dbraw/zinc/75/95/47/822759547.db2.gz NSNSEKMRCQBXAM-ROUUACIJSA-N 1 0 394.481 4.322 20 0 GIADRO O=S1(=O)CCCN1c1cccc(C[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)c1 ZINC000185295128 822761101 /nfs/dbraw/zinc/76/11/01/822761101.db2.gz IZNJZXFAVFHWQV-FQEVSTJZSA-N 1 0 390.936 4.121 20 0 GIADRO CC[C@@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)c1ccc(Cl)s1 ZINC000185297369 822761533 /nfs/dbraw/zinc/76/15/33/822761533.db2.gz UGPLEYKEWPKWBZ-OAHLLOKOSA-N 1 0 384.954 4.182 20 0 GIADRO Cc1cnc([C@@H]([NH2+]Cc2ccc(I)cc2)C2CC2)s1 ZINC000185298413 822761661 /nfs/dbraw/zinc/76/16/61/822761661.db2.gz GNDDMCIWVTUFGP-AWEZNQCLSA-N 1 0 384.286 4.297 20 0 GIADRO C[C@@H]([NH2+]C[C@](C)(O)c1ccccc1Cl)c1ncc(Br)s1 ZINC000185300942 822762033 /nfs/dbraw/zinc/76/20/33/822762033.db2.gz SUNDKZJCPAYOGJ-OTYXRUKQSA-N 1 0 375.719 4.117 20 0 GIADRO CCc1cnc(CC[NH2+][C@H](C(=O)Nc2ccc(OC)cc2)c2ccccc2)s1 ZINC000174283343 822762780 /nfs/dbraw/zinc/76/27/80/822762780.db2.gz LASMZIUKKLBSRP-NRFANRHFSA-N 1 0 395.528 4.226 20 0 GIADRO Cc1cnc([C@H](NC(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C2CC2)s1 ZINC000174293347 822764966 /nfs/dbraw/zinc/76/49/66/822764966.db2.gz WKGUJBXGEFOTIP-VQTJNVASSA-N 1 0 398.576 4.209 20 0 GIADRO CC(C)[NH+]1CCC(N[C@@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)CC1 ZINC000174294709 822765273 /nfs/dbraw/zinc/76/52/73/822765273.db2.gz VVAZUJBUDSEQAI-IBGZPJMESA-N 1 0 395.547 4.055 20 0 GIADRO C[NH+]1CCC([C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000456011891 822766144 /nfs/dbraw/zinc/76/61/44/822766144.db2.gz WQHNVRPCCWJVPV-IXDOHACOSA-N 1 0 381.347 4.287 20 0 GIADRO CS[C@@H]1CN(C(=O)c2ccc([C@H](C)C(F)(F)F)cc2)C[C@@H]1[NH+]1CCCC1 ZINC000456011750 822766187 /nfs/dbraw/zinc/76/61/87/822766187.db2.gz SENVIRBBNUFTRQ-RRQGHBQHSA-N 1 0 386.483 4.004 20 0 GIADRO CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3ccccn3)c2)c2ccc(F)cc2C1 ZINC000185364536 822772416 /nfs/dbraw/zinc/77/24/16/822772416.db2.gz CIVZQFOORAGUQV-XMMPIXPASA-N 1 0 389.474 4.471 20 0 GIADRO CC(=O)N1CC[C@H]([NH2+]Cc2ccc(CSC(F)F)o2)c2ccc(F)cc2C1 ZINC000185366209 822772856 /nfs/dbraw/zinc/77/28/56/822772856.db2.gz VMORXPMQNXCVRP-SFHVURJKSA-N 1 0 398.450 4.458 20 0 GIADRO C[C@H](NC(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccc(-c2ccncc2)cc1 ZINC000174339205 822774347 /nfs/dbraw/zinc/77/43/47/822774347.db2.gz WUZFJAASYHLVGN-IBGZPJMESA-N 1 0 392.547 4.327 20 0 GIADRO C[C@@H](NC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)c1ccc(-c2ccncc2)cc1 ZINC000174340376 822774687 /nfs/dbraw/zinc/77/46/87/822774687.db2.gz IWBDSTKDUIBNLQ-XXBNENTESA-N 1 0 392.547 4.470 20 0 GIADRO COc1ccc(C2(CNC(=O)N(C)[C@H]3CC[N@H+](C)[C@@H](C)C3)CCCCC2)cc1 ZINC000174345607 822775721 /nfs/dbraw/zinc/77/57/21/822775721.db2.gz MJMLEISNTPHYHC-ICSRJNTNSA-N 1 0 387.568 4.021 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc2ncccc21)c1ccc(-n2cccn2)cc1 ZINC000174368322 822779070 /nfs/dbraw/zinc/77/90/70/822779070.db2.gz JUBDSFLHELDUKF-SJORKVTESA-N 1 0 385.471 4.098 20 0 GIADRO C[C@H](C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)c1cn(C)c2ccccc12 ZINC000185405566 822779388 /nfs/dbraw/zinc/77/93/88/822779388.db2.gz CKGSENXTQXIJAS-IBGZPJMESA-N 1 0 389.543 4.405 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)cc1)C(=O)Nc1cc(Cl)ccc1F ZINC000174369758 822779485 /nfs/dbraw/zinc/77/94/85/822779485.db2.gz JTVNOCKGGHDECU-UONOGXRCSA-N 1 0 386.858 4.343 20 0 GIADRO 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 822780093 /nfs/dbraw/zinc/78/00/93/822780093.db2.gz KUNSHHABJBXWEN-UMSGYPCISA-N 1 0 388.396 4.085 20 0 GIADRO COc1ccc(O)c([C@H](C)[NH2+][C@H](Cc2ccccc2)C(=O)Nc2ccccc2)c1 ZINC000185410201 822780277 /nfs/dbraw/zinc/78/02/77/822780277.db2.gz UUTNVHWIBWJOSA-HTAPYJJXSA-N 1 0 390.483 4.301 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)N2CCC[C@@H](CC(=O)OC(C)C)C2)cc1)C(C)C ZINC000185410040 822780314 /nfs/dbraw/zinc/78/03/14/822780314.db2.gz LXRWPCMMEOSCMC-FQEVSTJZSA-N 1 0 388.552 4.111 20 0 GIADRO Cc1sc2[nH]c([C@@H](C)[NH2+][C@H](C)c3ccc(-n4cccn4)cc3)nc(=O)c2c1C ZINC000174378536 822780705 /nfs/dbraw/zinc/78/07/05/822780705.db2.gz MTJTWCSSCLIHHY-ZIAGYGMSSA-N 1 0 393.516 4.199 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000174376913 822780723 /nfs/dbraw/zinc/78/07/23/822780723.db2.gz ZPIQBGNQLTYRMI-GJZGRUSLSA-N 1 0 398.894 4.212 20 0 GIADRO CC[NH+](CC)CCOc1ccc(C(=O)Nc2cccc(-c3nnc(C)o3)c2)cc1 ZINC000174389633 822782297 /nfs/dbraw/zinc/78/22/97/822782297.db2.gz WSCCPGDCLZMHLG-UHFFFAOYSA-N 1 0 394.475 4.018 20 0 GIADRO CC[N@@H+](Cc1cn2cc(Cl)ccc2n1)CC1CCN(c2ccccn2)CC1 ZINC000174391401 822782729 /nfs/dbraw/zinc/78/27/29/822782729.db2.gz LKTFCTSFHIUGSO-UHFFFAOYSA-N 1 0 383.927 4.121 20 0 GIADRO CC(C)Oc1ccc2ccccc2c1CNC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000185434882 822783427 /nfs/dbraw/zinc/78/34/27/822783427.db2.gz FIMORTRKWCMOSD-IBGZPJMESA-N 1 0 381.520 4.007 20 0 GIADRO CN(Cc1ncc(-c2ccc(F)cc2)o1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174402404 822784906 /nfs/dbraw/zinc/78/49/06/822784906.db2.gz GFEXEDRBRZBWRF-LJQANCHMSA-N 1 0 379.479 4.435 20 0 GIADRO Cc1[nH]c2ccc(Br)cc2c1CC(=O)NC(C)(C)CCC[NH+](C)C ZINC000456164849 822785540 /nfs/dbraw/zinc/78/55/40/822785540.db2.gz CRBALKNQHGRLQN-UHFFFAOYSA-N 1 0 394.357 4.018 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccccc2Oc2cccnc2)C1 ZINC000051983148 822785828 /nfs/dbraw/zinc/78/58/28/822785828.db2.gz BFPDVXWDKJFSSJ-QUCCMNQESA-N 1 0 387.483 4.439 20 0 GIADRO CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)NC(C)(C)CCC[NH+](C)C)c1 ZINC000456171580 822786066 /nfs/dbraw/zinc/78/60/66/822786066.db2.gz OORHQKCHIFGFPX-UHFFFAOYSA-N 1 0 381.948 4.175 20 0 GIADRO CCOc1ccccc1[C@H](CC(C)C)NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000174411419 822786485 /nfs/dbraw/zinc/78/64/85/822786485.db2.gz PWTLIYAWJDXQNL-GGPKGHCWSA-N 1 0 375.557 4.297 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1ccccc1Oc1cccnc1)c1ccc(F)cc1 ZINC000052027033 822788329 /nfs/dbraw/zinc/78/83/29/822788329.db2.gz TZUPTYPUPPAYEC-HXUWFJFHSA-N 1 0 379.435 4.046 20 0 GIADRO COc1ccc2ccc(O)c(C[NH+]3CCC(C(=O)NC4CCCCC4)CC3)c2c1 ZINC000052087089 822790178 /nfs/dbraw/zinc/79/01/78/822790178.db2.gz PSTCXEVRVVWUEO-UHFFFAOYSA-N 1 0 396.531 4.215 20 0 GIADRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)NCc1nc(C(F)(F)F)cs1 ZINC000185494338 822790661 /nfs/dbraw/zinc/79/06/61/822790661.db2.gz AUHGAYCLIODPPC-UHFFFAOYSA-N 1 0 392.491 4.006 20 0 GIADRO C[C@@H]1CCCN(C(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)c2ccccc21 ZINC000185499604 822791202 /nfs/dbraw/zinc/79/12/02/822791202.db2.gz VUFIMHMLDZIOMJ-LJQANCHMSA-N 1 0 392.543 4.435 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)NCc2cccc(Cl)c2)[C@@H]1c1cccs1 ZINC000174451871 822791617 /nfs/dbraw/zinc/79/16/17/822791617.db2.gz WMPZFLYESBALEZ-MAUKXSAKSA-N 1 0 377.941 4.284 20 0 GIADRO Cc1ccc([C@H](CNC(=O)N2CCC(C(F)(F)F)CC2)[NH+]2CCCC2)cc1 ZINC000174452669 822791719 /nfs/dbraw/zinc/79/17/19/822791719.db2.gz JCEYFMKMIVOLMP-SFHVURJKSA-N 1 0 383.458 4.116 20 0 GIADRO COc1ccc(C(=O)CCCC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)cc1 ZINC000456270245 822792203 /nfs/dbraw/zinc/79/22/03/822792203.db2.gz KCEQDPJXWKLESM-NRFANRHFSA-N 1 0 380.488 4.236 20 0 GIADRO Cc1ccc(C2(C(=O)Nc3ccc4c(c3)CC[C@@H]4[NH+](C)C)CCOCC2)cc1 ZINC000456271198 822792393 /nfs/dbraw/zinc/79/23/93/822792393.db2.gz KPMBHHKKLHRDAV-QFIPXVFZSA-N 1 0 378.516 4.231 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)CCCc3nc(-c4cccs4)no3)ccc21 ZINC000456276684 822792984 /nfs/dbraw/zinc/79/29/84/822792984.db2.gz NWIIFETVOOTMBW-KRWDZBQOSA-N 1 0 396.516 4.308 20 0 GIADRO Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)Nc4cccc(C[NH+](C)C)c4)C3)nc2c1 ZINC000185521467 822793089 /nfs/dbraw/zinc/79/30/89/822793089.db2.gz MNKUFHVOYZNRKJ-GOSISDBHSA-N 1 0 391.519 4.344 20 0 GIADRO Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc4c(c3)CC[C@H]4[NH+](C)C)cc2)n1 ZINC000456284748 822794263 /nfs/dbraw/zinc/79/42/63/822794263.db2.gz UFPFFBCFZHVJCQ-HSZRJFAPSA-N 1 0 388.515 4.349 20 0 GIADRO COc1ccc(C[C@@H](C)C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)cc1OC ZINC000456289161 822794576 /nfs/dbraw/zinc/79/45/76/822794576.db2.gz XLHZUFXMPQLVIR-QRWLVFNGSA-N 1 0 382.504 4.070 20 0 GIADRO CN(C)C(=O)c1cccc(CC[NH2+]Cc2ccc(-c3c(F)cccc3F)o2)c1 ZINC000174471706 822794660 /nfs/dbraw/zinc/79/46/60/822794660.db2.gz NABGNVNGJQDMCT-UHFFFAOYSA-N 1 0 384.426 4.259 20 0 GIADRO Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000456289792 822794734 /nfs/dbraw/zinc/79/47/34/822794734.db2.gz XYVCZXYLQJRNRM-GOSISDBHSA-N 1 0 378.501 4.315 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)CCN2c3ccccc3Sc3ccccc32)C1 ZINC000174473500 822794867 /nfs/dbraw/zinc/79/48/67/822794867.db2.gz PGPDJPWMOYTTHB-SFHVURJKSA-N 1 0 395.572 4.480 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)c3cccc(Br)c3F)ccc21 ZINC000456296393 822795372 /nfs/dbraw/zinc/79/53/72/822795372.db2.gz CPOHQOPHEJLYEQ-MRXNPFEDSA-N 1 0 377.257 4.389 20 0 GIADRO C[C@@H]([NH2+]Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)[C@H]1COc2ccccc21 ZINC000185557131 822796261 /nfs/dbraw/zinc/79/62/61/822796261.db2.gz UIUDQFXQMFJZAK-MLGOLLRUSA-N 1 0 389.377 4.410 20 0 GIADRO C[C@H]1CN(C(=O)CCc2c[nH]c3ccccc23)CC[N@H+](Cc2ccccc2)C1 ZINC000456305082 822796362 /nfs/dbraw/zinc/79/63/62/822796362.db2.gz KWYBVSVTXSBWBR-LJQANCHMSA-N 1 0 375.516 4.081 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(-c3cccs3)nc3ccccc32)C1 ZINC000174504942 822798027 /nfs/dbraw/zinc/79/80/27/822798027.db2.gz IGDBHUWIJBCRMT-MRXNPFEDSA-N 1 0 379.529 4.377 20 0 GIADRO Cc1cc(NC(=O)C2CC[NH+](Cc3c(Cl)ccc4cccnc43)CC2)no1 ZINC000052403261 822798362 /nfs/dbraw/zinc/79/83/62/822798362.db2.gz JQGZPOKEPAWQJR-UHFFFAOYSA-N 1 0 384.867 4.035 20 0 GIADRO CCO[C@H]1C[C@H]([NH2+]Cc2csc(COc3ccc(OC)cc3)n2)C12CCC2 ZINC000174509714 822798877 /nfs/dbraw/zinc/79/88/77/822798877.db2.gz XUKZFXZTSWSZIZ-OALUTQOASA-N 1 0 388.533 4.168 20 0 GIADRO CCCOc1c(Cl)cc(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc1OC ZINC000174520555 822800195 /nfs/dbraw/zinc/80/01/95/822800195.db2.gz XQZGGXQBVIFWTO-MRXNPFEDSA-N 1 0 394.943 4.085 20 0 GIADRO Cc1ccc(-c2nc(C[NH2+]CCCN3C(=O)COc4ccccc43)cs2)cc1 ZINC000174521526 822800374 /nfs/dbraw/zinc/80/03/74/822800374.db2.gz LEYAAGRVIJDSLG-UHFFFAOYSA-N 1 0 393.512 4.024 20 0 GIADRO C[C@H]1CN(C(=O)c2coc(C3CCCCC3)n2)CC[N@H+](Cc2ccccc2)C1 ZINC000456343131 822800558 /nfs/dbraw/zinc/80/05/58/822800558.db2.gz QWISXCLOAFBDQS-GOSISDBHSA-N 1 0 381.520 4.316 20 0 GIADRO COc1ccc(N2CCC[N@H+](Cc3coc(-c4ccc(C)cc4)n3)CC2)cc1 ZINC000052466127 822800842 /nfs/dbraw/zinc/80/08/42/822800842.db2.gz OCCYRYHXARXYFF-UHFFFAOYSA-N 1 0 377.488 4.371 20 0 GIADRO Cc1nn(C)c(C)c1CNC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000174526299 822801230 /nfs/dbraw/zinc/80/12/30/822801230.db2.gz WUELREGSVRNSBC-UHFFFAOYSA-N 1 0 383.540 4.123 20 0 GIADRO CCC(CC)n1nc(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)cc1C ZINC000456351974 822801279 /nfs/dbraw/zinc/80/12/79/822801279.db2.gz XQMCRDBGLSYNBU-SFHVURJKSA-N 1 0 382.552 4.147 20 0 GIADRO O=C(c1cc(Cl)ccc1Br)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174531001 822801919 /nfs/dbraw/zinc/80/19/19/822801919.db2.gz XTZAHHXYUHJUQX-CYBMUJFWSA-N 1 0 385.733 4.051 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N1CC[C@@H](C)Sc2ccccc21)[C@@H]1COc2ccccc21 ZINC000185610732 822801972 /nfs/dbraw/zinc/80/19/72/822801972.db2.gz LOVHJYYCLVYUAL-NUJGCVRESA-N 1 0 382.529 4.058 20 0 GIADRO Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[NH2+]C[C@@](C)(O)c1ccco1 ZINC000174531703 822802068 /nfs/dbraw/zinc/80/20/68/822802068.db2.gz YNLBFLICJOWGKC-GOSISDBHSA-N 1 0 380.275 4.078 20 0 GIADRO CCOCc1ccccc1CNC(=O)C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000052515313 822802216 /nfs/dbraw/zinc/80/22/16/822802216.db2.gz ZGKWPHZWQMWOQA-JOCHJYFZSA-N 1 0 386.923 4.234 20 0 GIADRO CCOC1CCN(C(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)CC1 ZINC000052522523 822802580 /nfs/dbraw/zinc/80/25/80/822802580.db2.gz RDKWAIZQBDMBQL-UHFFFAOYSA-N 1 0 395.547 4.126 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)C1 ZINC000174537463 822802847 /nfs/dbraw/zinc/80/28/47/822802847.db2.gz OYQQEAMSVUGHIX-MRXNPFEDSA-N 1 0 399.922 4.006 20 0 GIADRO CCOc1ccc(-c2nc(C(=O)N3CC[C@@H](C[NH+]4CCCCC4)C3)cs2)cc1 ZINC000174539901 822802968 /nfs/dbraw/zinc/80/29/68/822802968.db2.gz FWDZSAZGEHKSPK-KRWDZBQOSA-N 1 0 399.560 4.157 20 0 GIADRO C[C@](Cc1cccc(Br)c1)([NH2+]Cc1cncnc1)c1ccccc1 ZINC000174541294 822803070 /nfs/dbraw/zinc/80/30/70/822803070.db2.gz VZCJXKYRJHAVEB-HXUWFJFHSA-N 1 0 382.305 4.487 20 0 GIADRO COc1cc(C[NH2+][C@H](C)Cc2c(C)nn(C)c2C)ccc1OCc1ccccc1 ZINC000174544519 822803232 /nfs/dbraw/zinc/80/32/32/822803232.db2.gz XLHIBJWJALIKOX-QGZVFWFLSA-N 1 0 393.531 4.345 20 0 GIADRO COc1cc(-c2nc(C[NH2+][C@H](C)[C@H]3COc4ccccc43)cs2)ccc1O ZINC000185622881 822803412 /nfs/dbraw/zinc/80/34/12/822803412.db2.gz XGOWCBZABWILQO-CXAGYDPISA-N 1 0 382.485 4.179 20 0 GIADRO COc1cc(-c2nc(C[NH2+][C@@H](C)[C@H]3COc4ccccc43)cs2)ccc1O ZINC000185622865 822803457 /nfs/dbraw/zinc/80/34/57/822803457.db2.gz XGOWCBZABWILQO-SUMWQHHRSA-N 1 0 382.485 4.179 20 0 GIADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N[C@H](CC(F)(F)F)c1ccccc1 ZINC000052557843 822803483 /nfs/dbraw/zinc/80/34/83/822803483.db2.gz BEHLTBXYPHBXRC-RBUKOAKNSA-N 1 0 393.453 4.152 20 0 GIADRO CC[N@H+](CC(=O)NCc1cccc(COCc2ccco2)c1)C1CCCCC1 ZINC000052559525 822803600 /nfs/dbraw/zinc/80/36/00/822803600.db2.gz BCLWNBZSYKCXHO-UHFFFAOYSA-N 1 0 384.520 4.267 20 0 GIADRO Cc1ccc(-c2nnc([C@@H](C)[N@@H+]3CCC[C@H](c4nncn4C(C)C)C3)o2)cc1 ZINC000174547104 822803568 /nfs/dbraw/zinc/80/35/68/822803568.db2.gz MFPVIKLWRROALR-AEFFLSMTSA-N 1 0 380.496 4.158 20 0 GIADRO Cc1ccccc1-c1noc([C@@H](C)[N@@H+]2CCC[C@H](c3nncn3C(C)C)C2)n1 ZINC000174552879 822804239 /nfs/dbraw/zinc/80/42/39/822804239.db2.gz DPXNODGHDIJJPL-SJORKVTESA-N 1 0 380.496 4.158 20 0 GIADRO COc1ccc(S[C@H](C)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000052590927 822804663 /nfs/dbraw/zinc/80/46/63/822804663.db2.gz AWZXQFFKJHEETD-QGZVFWFLSA-N 1 0 384.545 4.088 20 0 GIADRO C[NH+](C)[C@@H](CNC(=S)Nc1cccc(Br)c1)c1cccs1 ZINC000052600032 822804708 /nfs/dbraw/zinc/80/47/08/822804708.db2.gz YDYRAFDMHZXWDX-ZDUSSCGKSA-N 1 0 384.368 4.100 20 0 GIADRO O=C(c1cc2ccc(OC(F)(F)F)cc2[nH]1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174561845 822805149 /nfs/dbraw/zinc/80/51/49/822805149.db2.gz PMTJQFKVKRWNMB-CQSZACIVSA-N 1 0 395.425 4.015 20 0 GIADRO OC1(c2ccccc2)CC[NH+](Cc2ccc(OCC(F)(F)F)c(F)c2)CC1 ZINC000185637742 822805178 /nfs/dbraw/zinc/80/51/78/822805178.db2.gz LXUNXBYFDCAYPP-UHFFFAOYSA-N 1 0 383.385 4.250 20 0 GIADRO COc1ccc([C@@H](CNC(=O)Nc2cccc(SC)c2)[NH+]2CCCC2)cc1 ZINC000052635223 822805781 /nfs/dbraw/zinc/80/57/81/822805781.db2.gz PIYDWLQNEUOFAY-HXUWFJFHSA-N 1 0 385.533 4.376 20 0 GIADRO O=C(C[N@H+](C1CC1)C1CCCCC1)NCc1cccc(COCc2ccco2)c1 ZINC000052666037 822806866 /nfs/dbraw/zinc/80/68/66/822806866.db2.gz YXHVKTWUJNAMQG-UHFFFAOYSA-N 1 0 396.531 4.410 20 0 GIADRO CCc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1c(C)nn(CC(F)(F)F)c1C ZINC000185654106 822807124 /nfs/dbraw/zinc/80/71/24/822807124.db2.gz BVOCPLGYAMZSHN-OCCSQVGLSA-N 1 0 396.457 4.302 20 0 GIADRO CCC(CC)c1cc(CNC(=O)NCc2ccccc2C[NH+]2CCCC2)on1 ZINC000174577596 822807382 /nfs/dbraw/zinc/80/73/82/822807382.db2.gz CKADGQFBAIGJPW-UHFFFAOYSA-N 1 0 384.524 4.173 20 0 GIADRO COC(=O)COc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(Br)cc2)cc1 ZINC000185657743 822807484 /nfs/dbraw/zinc/80/74/84/822807484.db2.gz UERPBCGPCHHNFI-ZIAGYGMSSA-N 1 0 392.293 4.413 20 0 GIADRO CC[N@H+](CC(=O)N1CCc2[nH]c3ccccc3c2C1)[C@@H](C)c1cccc(OC)c1 ZINC000052706221 822807813 /nfs/dbraw/zinc/80/78/13/822807813.db2.gz HATUQRKYUMBLPF-KRWDZBQOSA-N 1 0 391.515 4.144 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cc(C)c(Cl)cc2OC)cc1F ZINC000052710585 822807893 /nfs/dbraw/zinc/80/78/93/822807893.db2.gz NUPGGPAKBZXKNU-QWHCGFSZSA-N 1 0 394.874 4.483 20 0 GIADRO COC(=O)COc1ccc([C@H](C)[NH2+]Cc2c(C)cc(C)c(C(C)=O)c2C)cc1 ZINC000185666830 822808360 /nfs/dbraw/zinc/80/83/60/822808360.db2.gz STYKKXLNPSPBDQ-KRWDZBQOSA-N 1 0 383.488 4.217 20 0 GIADRO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@@H](C)c2cccc(N3CCCC3)c2)cc1 ZINC000185691688 822810566 /nfs/dbraw/zinc/81/05/66/822810566.db2.gz HLNDWRYRFNOKDS-OALUTQOASA-N 1 0 386.561 4.108 20 0 GIADRO COc1cc(C[NH2+]C[C@H](C)Oc2ccccc2F)ccc1OCc1ccncc1 ZINC000174601887 822810715 /nfs/dbraw/zinc/81/07/15/822810715.db2.gz GWVWTJDDZYNTCH-KRWDZBQOSA-N 1 0 396.462 4.365 20 0 GIADRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000185692844 822810757 /nfs/dbraw/zinc/81/07/57/822810757.db2.gz LCJOCUHIRRTXLP-FXFXYLOPSA-N 1 0 399.516 4.088 20 0 GIADRO OC1(c2cccnc2)CCC([NH2+]Cc2c[nH]nc2-c2cccc(Cl)c2)CC1 ZINC000185698589 822811361 /nfs/dbraw/zinc/81/13/61/822811361.db2.gz ASMRAQKOYFFSJM-UHFFFAOYSA-N 1 0 382.895 4.045 20 0 GIADRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000052825915 822812259 /nfs/dbraw/zinc/81/22/59/822812259.db2.gz UYRGCSGKPGLHAE-FQEVSTJZSA-N 1 0 395.466 4.008 20 0 GIADRO COc1ccc(-c2csc(NC(=O)C[N@H+](C)C3CCCCC3)n2)c(OC)c1 ZINC000052858277 822813046 /nfs/dbraw/zinc/81/30/46/822813046.db2.gz CKAIBVKCDFYWGZ-UHFFFAOYSA-N 1 0 389.521 4.030 20 0 GIADRO COc1ccc(C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3)cc2)cc1O ZINC000174623212 822813916 /nfs/dbraw/zinc/81/39/16/822813916.db2.gz NSEMBDJBQDOGLJ-UHFFFAOYSA-N 1 0 376.456 4.285 20 0 GIADRO CCc1cnc(CC[NH2+]Cc2cc(OC)ccc2OCc2ccccn2)s1 ZINC000174624496 822814126 /nfs/dbraw/zinc/81/41/26/822814126.db2.gz YWDJJIGBJRTMKJ-UHFFFAOYSA-N 1 0 383.517 4.020 20 0 GIADRO CC(C)(C)OC(=O)c1ccc(C[NH2+]Cc2cnn(Cc3ccccc3)c2)cc1 ZINC000174630050 822814456 /nfs/dbraw/zinc/81/44/56/822814456.db2.gz VRIVZBTWHKBPKY-UHFFFAOYSA-N 1 0 377.488 4.177 20 0 GIADRO CC(C)(C)[C@H](NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000174629226 822814474 /nfs/dbraw/zinc/81/44/74/822814474.db2.gz MGJUIABHWONMLL-ZWKOTPCHSA-N 1 0 395.469 4.448 20 0 GIADRO C[C@H](O)C[C@@H](C[NH2+][C@@H](C)c1cc(Br)ccc1O)c1ccccc1 ZINC000185737159 822816129 /nfs/dbraw/zinc/81/61/29/822816129.db2.gz AVMXOGWYSVVQBQ-DZKIICNBSA-N 1 0 378.310 4.360 20 0 GIADRO C[NH+](C)[C@@H]1Cc2ccccc2N(C(=O)c2cnc(Cc3ccccc3F)s2)C1 ZINC000185741869 822816695 /nfs/dbraw/zinc/81/66/95/822816695.db2.gz KBIVCAALTXARAT-QGZVFWFLSA-N 1 0 395.503 4.006 20 0 GIADRO COc1ccc([C@H]([NH2+]C2CCN(C(C)=O)CC2)c2ccccc2Cl)c(C)c1 ZINC000174644212 822816772 /nfs/dbraw/zinc/81/67/72/822816772.db2.gz OOYAQHLHTJEOMI-QFIPXVFZSA-N 1 0 386.923 4.347 20 0 GIADRO C[C@H](NCc1cccc(C(=O)N2CCCCC2)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185749667 822817453 /nfs/dbraw/zinc/81/74/53/822817453.db2.gz VGRXEPAAUDGJHK-UGKGYDQZSA-N 1 0 383.580 4.055 20 0 GIADRO Cc1ccc(-c2noc([C@H](C)N[C@@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)n2)cc1F ZINC000185748925 822817475 /nfs/dbraw/zinc/81/74/75/822817475.db2.gz OACHUQOGBZXQNT-XYJFISCASA-N 1 0 386.515 4.488 20 0 GIADRO CC(C)C[NH+]1CCC(NC(=O)CCSc2ccc(Br)cc2)CC1 ZINC000052985577 822817447 /nfs/dbraw/zinc/81/74/47/822817447.db2.gz SXBKSYOPWJXJHJ-UHFFFAOYSA-N 1 0 399.398 4.168 20 0 GIADRO CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000052993761 822818067 /nfs/dbraw/zinc/81/80/67/822818067.db2.gz DABSVRSAOLPZPU-KBPBESRZSA-N 1 0 377.916 4.354 20 0 GIADRO CC(=O)c1c(C)cc(C)c(C[N@@H+](C)C2CCN(CCc3ccccn3)CC2)c1C ZINC000174653756 822818364 /nfs/dbraw/zinc/81/83/64/822818364.db2.gz DPQQWJFTIZKGEO-UHFFFAOYSA-N 1 0 393.575 4.348 20 0 GIADRO CN(Cc1ncc(-c2ccc(F)cc2)o1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000174657189 822819225 /nfs/dbraw/zinc/81/92/25/822819225.db2.gz LQVLNLYEAJZUQB-UHFFFAOYSA-N 1 0 394.494 4.015 20 0 GIADRO C[N@H+](CCSc1ccc(Cl)cc1)C1CCN(CCc2ccccn2)CC1 ZINC000174658021 822819461 /nfs/dbraw/zinc/81/94/61/822819461.db2.gz BGHJIKIKZNBRQK-UHFFFAOYSA-N 1 0 389.996 4.466 20 0 GIADRO Cc1cc(C)cc(OCc2noc(CN[C@@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)n2)c1 ZINC000185767872 822819463 /nfs/dbraw/zinc/81/94/63/822819463.db2.gz YVNWCZCNDOAZSN-OALUTQOASA-N 1 0 398.551 4.008 20 0 GIADRO CCOc1ccc(-c2nc(CN[C@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)co2)cc1 ZINC000185768150 822819469 /nfs/dbraw/zinc/81/94/69/822819469.db2.gz SAOZRQZTVLBGEO-MJGOQNOKSA-N 1 0 383.536 4.483 20 0 GIADRO C[N@H+](CCc1ccccc1)CC(=O)Nc1cccc(NC(=O)c2ccccc2)c1 ZINC000053048893 822819767 /nfs/dbraw/zinc/81/97/67/822819767.db2.gz OXZZSGRFFBLYJY-UHFFFAOYSA-N 1 0 387.483 4.052 20 0 GIADRO CCc1onc(C)c1C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000185771366 822819782 /nfs/dbraw/zinc/81/97/82/822819782.db2.gz MMPJZWGPGBKTEO-UHFFFAOYSA-N 1 0 383.536 4.010 20 0 GIADRO COc1ccc(Cl)cc1C[NH+]1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000053049574 822819792 /nfs/dbraw/zinc/81/97/92/822819792.db2.gz VRZWCCYJZMEMKQ-UHFFFAOYSA-N 1 0 390.886 4.016 20 0 GIADRO Cc1nc(CSc2ccc(C(=O)N3CC[C@@H]4CC[C@H](C3)[N@@H+]4C)cc2)cs1 ZINC000174660547 822819991 /nfs/dbraw/zinc/81/99/91/822819991.db2.gz AODTUSWCYOVVBB-ZWKOTPCHSA-N 1 0 387.574 4.053 20 0 GIADRO COc1cc(NC(=O)CC[N@H+](C)[C@H](C)c2ccccc2)c(OC)cc1Cl ZINC000174663841 822820499 /nfs/dbraw/zinc/82/04/99/822820499.db2.gz BRXLILYRNKNATG-CQSZACIVSA-N 1 0 376.884 4.379 20 0 GIADRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NC2CC[NH+](C3CCC3)CC2)c1 ZINC000456681356 822822123 /nfs/dbraw/zinc/82/21/23/822822123.db2.gz HUPQQEHTOAUJQI-UHFFFAOYSA-N 1 0 391.559 4.065 20 0 GIADRO O=C(CCc1cc(Cl)ccc1Br)NC1CC[NH+](C2CCC2)CC1 ZINC000456683661 822822324 /nfs/dbraw/zinc/82/23/24/822822324.db2.gz MINYPSDRRJDKOO-UHFFFAOYSA-N 1 0 399.760 4.168 20 0 GIADRO Cc1cc(Br)cc2c(C(=O)NC3CC[NH+](C4CCC4)CC3)coc21 ZINC000456684335 822822437 /nfs/dbraw/zinc/82/24/37/822822437.db2.gz OHYYPFJNUGXHJV-UHFFFAOYSA-N 1 0 391.309 4.250 20 0 GIADRO CC(C)(C)CC(C)(C)[NH2+]CC(=O)Nc1ccccc1I ZINC000053123331 822822766 /nfs/dbraw/zinc/82/27/66/822822766.db2.gz NIJDROUXKNNSCK-UHFFFAOYSA-N 1 0 388.293 4.034 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)CCSc2ccc(Br)cc2)CC1 ZINC000053138751 822823292 /nfs/dbraw/zinc/82/32/92/822823292.db2.gz XTGPJHQPKFMVMV-UHFFFAOYSA-N 1 0 399.398 4.264 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2ccccc2C)cc1Br ZINC000174693181 822824229 /nfs/dbraw/zinc/82/42/29/822824229.db2.gz TWXBNNCWJVEAFZ-CQSZACIVSA-N 1 0 391.309 4.446 20 0 GIADRO CC(=O)Nc1ccc2c(C[N@@H+]3CCC[C@@H]3CCc3ccccc3)cc(=O)oc2c1 ZINC000053182095 822825070 /nfs/dbraw/zinc/82/50/70/822825070.db2.gz NEWQSKJEOZUHIU-OAQYLSRUSA-N 1 0 390.483 4.349 20 0 GIADRO O=C(NC1(Cc2cccc(Cl)c2)CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000456723535 822827068 /nfs/dbraw/zinc/82/70/68/822827068.db2.gz HQKQTWPSRJIAOL-UHFFFAOYSA-N 1 0 382.935 4.444 20 0 GIADRO C[C@H](Oc1ccc(Cl)c2ccccc12)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000456732713 822827713 /nfs/dbraw/zinc/82/77/13/822827713.db2.gz ODCZMGACVXAZPP-HNNXBMFYSA-N 1 0 386.923 4.394 20 0 GIADRO CCC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F ZINC000185868446 822828619 /nfs/dbraw/zinc/82/86/19/822828619.db2.gz FOAJZNHYJMDHKV-OAHLLOKOSA-N 1 0 385.430 4.257 20 0 GIADRO CC(=O)Nc1ccc2c(C[N@@H+]3CCC[C@@H]3c3ccccc3C)cc(=O)oc2c1 ZINC000053279264 822828855 /nfs/dbraw/zinc/82/88/55/822828855.db2.gz KTAHWNZSRMAMBD-OAQYLSRUSA-N 1 0 376.456 4.397 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)NCC(C)(C)c2c(Cl)cccc2Cl)CC[N@@H+]1C ZINC000174732665 822829931 /nfs/dbraw/zinc/82/99/31/822829931.db2.gz YJUXJBHGMNYAAO-UONOGXRCSA-N 1 0 386.367 4.395 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)CCc2ccsc2)CC1 ZINC000456780089 822830434 /nfs/dbraw/zinc/83/04/34/822830434.db2.gz IRPBGBFDKJZMKD-UHFFFAOYSA-N 1 0 378.925 4.446 20 0 GIADRO O=C(Nc1cccc(Cl)c1Cl)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000174752287 822832436 /nfs/dbraw/zinc/83/24/36/822832436.db2.gz HFUSJMUXUNZCNT-UHFFFAOYSA-N 1 0 386.323 4.102 20 0 GIADRO O=C(Nc1ccccc1SC(F)F)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000174762887 822833951 /nfs/dbraw/zinc/83/39/51/822833951.db2.gz PMJDWSPRKLDYMY-UHFFFAOYSA-N 1 0 399.507 4.110 20 0 GIADRO Cc1ccccc1NC(=O)CC[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000174774625 822835352 /nfs/dbraw/zinc/83/53/52/822835352.db2.gz SSPICQIXTOPTCO-UHFFFAOYSA-N 1 0 376.504 4.278 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)CC[N@@H+]1C ZINC000174780147 822835891 /nfs/dbraw/zinc/83/58/91/822835891.db2.gz DFNFFBWFMRPMGJ-UZLBHIALSA-N 1 0 395.507 4.277 20 0 GIADRO Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)NCc2ccc(C[NH+](C)C)cc2)cc1 ZINC000174781836 822836295 /nfs/dbraw/zinc/83/62/95/822836295.db2.gz MSJKGVAHCYRRDK-GOTSBHOMSA-N 1 0 395.547 4.024 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)Nc1cccc(C[NH+](C)C)c1)OC(C)C ZINC000185952142 822836549 /nfs/dbraw/zinc/83/65/49/822836549.db2.gz LEJGXQPAEOVMIN-OAQYLSRUSA-N 1 0 385.508 4.045 20 0 GIADRO CCc1nc(C)c([C@H](C)N(C)C(=O)NCCC[N@H+](C)Cc2ccccc2)s1 ZINC000174783633 822836646 /nfs/dbraw/zinc/83/66/46/822836646.db2.gz GFSDEMXYTUXDIK-KRWDZBQOSA-N 1 0 388.581 4.238 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc(-n3cccn3)cc2)[C@@H]1c1cccs1 ZINC000174790372 822837349 /nfs/dbraw/zinc/83/73/49/822837349.db2.gz LGEJNIDKFATDHQ-OXJNMPFZSA-N 1 0 395.532 4.138 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)N[C@H](C)c2nc(-c3ccccc3)cs2)CC1 ZINC000174791055 822837418 /nfs/dbraw/zinc/83/74/18/822837418.db2.gz OVBWZGPKGBEWOG-MRXNPFEDSA-N 1 0 386.565 4.292 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)Nc2cccc(-c3cc[nH]n3)c2)CC1 ZINC000185958975 822837420 /nfs/dbraw/zinc/83/74/20/822837420.db2.gz PTWJVTHACXKJHP-UHFFFAOYSA-N 1 0 389.503 4.171 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)N[C@@H](C)c2nc(-c3ccccc3)cs2)CC1 ZINC000174791045 822837448 /nfs/dbraw/zinc/83/74/48/822837448.db2.gz OVBWZGPKGBEWOG-INIZCTEOSA-N 1 0 386.565 4.292 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)NCc2ccccc2Sc2ccccc2)CC[N@@H+]1C ZINC000174793724 822837741 /nfs/dbraw/zinc/83/77/41/822837741.db2.gz UQYZWIXYANBYNS-IEBWSBKVSA-N 1 0 383.561 4.462 20 0 GIADRO COc1ccc([C@@H](C)NC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1F ZINC000053524275 822838743 /nfs/dbraw/zinc/83/87/43/822838743.db2.gz NUWVCMCZSNUURW-CRAIPNDOSA-N 1 0 389.471 4.015 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc(Cl)s2)[C@@H]1c1cccs1 ZINC000174800125 822838938 /nfs/dbraw/zinc/83/89/38/822838938.db2.gz IPMOIHUWUNHMKI-MLGOLLRUSA-N 1 0 383.970 4.345 20 0 GIADRO C[C@H](NC(=O)NC[C@@H](c1cccs1)[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000053529318 822839254 /nfs/dbraw/zinc/83/92/54/822839254.db2.gz CPTAWLQRQPDCTP-WFASDCNBSA-N 1 0 385.455 4.430 20 0 GIADRO C[C@@H](NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000053535038 822839601 /nfs/dbraw/zinc/83/96/01/822839601.db2.gz SDOFKNXWAAIQNF-PBHICJAKSA-N 1 0 395.425 4.496 20 0 GIADRO CN(Cc1ccccc1Cl)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000053547993 822840445 /nfs/dbraw/zinc/84/04/45/822840445.db2.gz YDPYULFMVRKOAD-KRWDZBQOSA-N 1 0 377.941 4.380 20 0 GIADRO Cc1nc2ccc(NC(=O)N(C)C[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc2o1 ZINC000174809687 822840556 /nfs/dbraw/zinc/84/05/56/822840556.db2.gz OBYMKOCTYNXFQO-SFHVURJKSA-N 1 0 378.476 4.122 20 0 GIADRO C[C@H]1CCN(C(=O)Nc2cccc(-c3cc[nH]n3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000185983648 822840915 /nfs/dbraw/zinc/84/09/15/822840915.db2.gz QGGFTVAWJKDOFV-SFHVURJKSA-N 1 0 389.503 4.205 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)c2cc(COC(C)(C)C)on2)CC[N@@H+]1Cc1ccccc1 ZINC000185987876 822841457 /nfs/dbraw/zinc/84/14/57/822841457.db2.gz UCMYZDZFEKZFBT-PKOBYXMFSA-N 1 0 399.535 4.115 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=S)Nc1ccc(OC)cc1)c1cccc(OC)c1 ZINC000053584706 822841749 /nfs/dbraw/zinc/84/17/49/822841749.db2.gz MQRIZSKFWUPBAQ-HXUWFJFHSA-N 1 0 387.549 4.073 20 0 GIADRO COc1ccc(NC(=O)[C@H]([NH2+]CCC[C@@H]2CCCCO2)c2ccccc2)cc1 ZINC000186001784 822842796 /nfs/dbraw/zinc/84/27/96/822842796.db2.gz HVCWAJCKEMPYKH-FCHUYYIVSA-N 1 0 382.504 4.314 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2cnn(Cc3ccccc3)c2)C1 ZINC000174830088 822843083 /nfs/dbraw/zinc/84/30/83/822843083.db2.gz LWFYSVQGTPSRTB-CTNGQTDRSA-N 1 0 395.551 4.050 20 0 GIADRO COc1ccc([C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)c2ccco2)cc1 ZINC000456990342 822844947 /nfs/dbraw/zinc/84/49/47/822844947.db2.gz FMCSFCSAORQJSK-GCJKJVERSA-N 1 0 382.504 4.148 20 0 GIADRO Cc1ccc(O)c([C@@H](C)[NH2+]CCC(=O)Nc2cc(Br)ccc2C)c1 ZINC000186031040 822845241 /nfs/dbraw/zinc/84/52/41/822845241.db2.gz RSBNAJCYHYGGBP-CQSZACIVSA-N 1 0 391.309 4.451 20 0 GIADRO Cc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2cc(Br)ccc2C)c(O)c1 ZINC000186031167 822845478 /nfs/dbraw/zinc/84/54/78/822845478.db2.gz NAMNVGMDCZJBLH-CQSZACIVSA-N 1 0 391.309 4.451 20 0 GIADRO CCc1c2ccccc2oc1[C@@H](C)[NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1 ZINC000186034420 822845919 /nfs/dbraw/zinc/84/59/19/822845919.db2.gz BOMMSMLKTFJTNX-MRXNPFEDSA-N 1 0 398.528 4.386 20 0 GIADRO Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000457026020 822846982 /nfs/dbraw/zinc/84/69/82/822846982.db2.gz IEAQVDUTGRUFBL-UHFFFAOYSA-N 1 0 385.455 4.228 20 0 GIADRO C[C@H](CC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1)C(=O)c1cccc(F)c1 ZINC000174856041 822847133 /nfs/dbraw/zinc/84/71/33/822847133.db2.gz QCPRERYTTACRQE-QRVBRYPASA-N 1 0 388.527 4.148 20 0 GIADRO CC[C@H](NC(=O)[C@H](c1ccccc1)[N@H+](C)CC)c1nc(C(F)(F)F)cs1 ZINC000174856399 822847145 /nfs/dbraw/zinc/84/71/45/822847145.db2.gz ROEBNLADVDDCSY-ZFWWWQNUSA-N 1 0 385.455 4.422 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(F)c(Cl)c2F)[C@@H]1c1cccs1 ZINC000186048688 822847203 /nfs/dbraw/zinc/84/72/03/822847203.db2.gz VYUDSEPKZDRNGQ-APPDUMDISA-N 1 0 384.879 4.493 20 0 GIADRO O=C1Nc2ccccc2C12CCC([NH2+]Cc1ncc(-c3ccccc3)cn1)CC2 ZINC000186051136 822847317 /nfs/dbraw/zinc/84/73/17/822847317.db2.gz QJHJDJDZOMQYNH-UHFFFAOYSA-N 1 0 384.483 4.066 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@@H]1c1csc(C)n1)c1ccccc1 ZINC000186051745 822847462 /nfs/dbraw/zinc/84/74/62/822847462.db2.gz IWSMXUAEWJGWPD-UXHICEINSA-N 1 0 386.565 4.381 20 0 GIADRO COc1ccc(N2CCC[N@H+](Cc3cc(=O)oc4c(C)c(C)ccc34)CC2)cc1 ZINC000053772512 822847539 /nfs/dbraw/zinc/84/75/39/822847539.db2.gz CTSJDVXIUXIZRX-UHFFFAOYSA-N 1 0 392.499 4.131 20 0 GIADRO COc1cc(F)cc(C[C@H](C)NC(=O)c2oc3ccccc3c2C[NH+](C)C)c1 ZINC000457048788 822848159 /nfs/dbraw/zinc/84/81/59/822848159.db2.gz FOSIFRLQCKTWLG-AWEZNQCLSA-N 1 0 384.451 4.003 20 0 GIADRO CCCCc1ccc(CC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000457062450 822849032 /nfs/dbraw/zinc/84/90/32/822849032.db2.gz ANTXMFZEOFWTLU-UHFFFAOYSA-N 1 0 384.486 4.447 20 0 GIADRO CC(=O)Nc1ccc2c(C[N@H+]3CC=C(c4ccc(C)cc4)CC3)cc(=O)oc2c1 ZINC000053813219 822849066 /nfs/dbraw/zinc/84/90/66/822849066.db2.gz DKPZLYQFGUOFMJ-UHFFFAOYSA-N 1 0 388.467 4.349 20 0 GIADRO Cc1cnc(CNC(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)s1 ZINC000174871302 822849079 /nfs/dbraw/zinc/84/90/79/822849079.db2.gz VNIOXBPSSCUBOH-UHFFFAOYSA-N 1 0 394.544 4.180 20 0 GIADRO CC[C@H](C)Oc1ccc(C(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000457078864 822850777 /nfs/dbraw/zinc/85/07/77/822850777.db2.gz DVWJAJSYXBGCNB-HNNXBMFYSA-N 1 0 386.458 4.353 20 0 GIADRO CN(C(=O)CCc1cc2ccccc2o1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457080602 822850942 /nfs/dbraw/zinc/85/09/42/822850942.db2.gz GLOJBJXGTMSTFP-UHFFFAOYSA-N 1 0 382.426 4.241 20 0 GIADRO CCCCOc1c(Cl)cc(C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)cc1OC ZINC000457082681 822851151 /nfs/dbraw/zinc/85/11/51/822851151.db2.gz ISKIGKMFTYPODW-MRXNPFEDSA-N 1 0 382.932 4.082 20 0 GIADRO COc1ccccc1N1CC[C@H]([NH2+][C@@H](C)c2ccc3ccccc3c2O)C1=O ZINC000186102172 822851842 /nfs/dbraw/zinc/85/18/42/822851842.db2.gz WBFRETGKFYHFED-KXBFYZLASA-N 1 0 376.456 4.010 20 0 GIADRO C[C@H](c1ccccc1)[C@H](C)NC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174894315 822851878 /nfs/dbraw/zinc/85/18/78/822851878.db2.gz AAEZOVUMLIONPC-ONTIZHBOSA-N 1 0 379.548 4.342 20 0 GIADRO CN(C(=O)c1c[nH]cc1-c1ccc(F)cc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457091551 822852529 /nfs/dbraw/zinc/85/25/29/822852529.db2.gz WIVUNKAOVUUFAV-UHFFFAOYSA-N 1 0 397.416 4.310 20 0 GIADRO CC(C)C(C)(C)C(=O)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000457113082 822854430 /nfs/dbraw/zinc/85/44/30/822854430.db2.gz JGLKJNQORVDJBF-UHFFFAOYSA-N 1 0 391.987 4.135 20 0 GIADRO CCc1ccc(C(=O)CCC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000053967907 822854903 /nfs/dbraw/zinc/85/49/03/822854903.db2.gz SFOONGHTCSNMCQ-UHFFFAOYSA-N 1 0 392.543 4.301 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000053968164 822854914 /nfs/dbraw/zinc/85/49/14/822854914.db2.gz UHFIHQQEPLHKTL-UHFFFAOYSA-N 1 0 390.449 4.337 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccccc2N2CCc3ccccc32)CC[N@@H+]1C ZINC000174914106 822854986 /nfs/dbraw/zinc/85/49/86/822854986.db2.gz MDPANQKIIXNUFP-MJGOQNOKSA-N 1 0 378.520 4.327 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2cc(-c3ccccc3F)on2)CC1 ZINC000053968366 822855047 /nfs/dbraw/zinc/85/50/47/822855047.db2.gz LZOSTIMDENLQFM-UHFFFAOYSA-N 1 0 393.462 4.184 20 0 GIADRO Cc1oc(-c2cccs2)nc1C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000053968459 822855051 /nfs/dbraw/zinc/85/50/51/822855051.db2.gz MNMPASOAPFAGAF-UHFFFAOYSA-N 1 0 395.528 4.414 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2cc(COC(C)(C)C)on2)CC1 ZINC000186140712 822855187 /nfs/dbraw/zinc/85/51/87/822855187.db2.gz GNNUMNTZDUXXIV-QGZVFWFLSA-N 1 0 391.556 4.106 20 0 GIADRO Cc1nc([C@H]2CCCN2C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)cs1 ZINC000186144219 822855339 /nfs/dbraw/zinc/85/53/39/822855339.db2.gz OBHQGWVSDKRGHG-AZUAARDMSA-N 1 0 384.549 4.135 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)Nc2c(C)c(C(F)(F)F)nn2C)cc1)C(C)C ZINC000186149222 822855828 /nfs/dbraw/zinc/85/58/28/822855828.db2.gz ALFCZLTVJFFUDR-UHFFFAOYSA-N 1 0 382.430 4.230 20 0 GIADRO CCc1cccc2c(CC(=O)N(C)C[C@H]3CC[N@H+](Cc4ccccc4)C3)c[nH]c21 ZINC000174935807 822858057 /nfs/dbraw/zinc/85/80/57/822858057.db2.gz AWJYCTZOMOFWJO-HXUWFJFHSA-N 1 0 389.543 4.253 20 0 GIADRO C[C@@H](CC(=O)NCCCC[N@H+](C)C1CC1)c1ccc(F)c(Br)c1 ZINC000457161202 822858146 /nfs/dbraw/zinc/85/81/46/822858146.db2.gz DBRWXPKYJFFGCV-ZDUSSCGKSA-N 1 0 385.321 4.072 20 0 GIADRO Cc1cc(C)c(C[C@H](C(=O)NCCCC[N@@H+](C)C2CC2)C(F)(F)F)c(C)c1 ZINC000457164390 822858328 /nfs/dbraw/zinc/85/83/28/822858328.db2.gz IZIVXOHRABUQQE-LJQANCHMSA-N 1 0 384.486 4.323 20 0 GIADRO Cc1cc(C(=O)NCCCC[N@@H+](C)C2CC2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000457165079 822858394 /nfs/dbraw/zinc/85/83/94/822858394.db2.gz JYEUECIMQABODP-UHFFFAOYSA-N 1 0 395.334 4.092 20 0 GIADRO Cc1cc(C(=O)N2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)cnn1 ZINC000457192536 822859691 /nfs/dbraw/zinc/85/96/91/822859691.db2.gz CYMPMFBFFBLOBI-HSZRJFAPSA-N 1 0 392.547 4.082 20 0 GIADRO Cc1cc(C(=O)N2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)cnn1 ZINC000457192537 822859732 /nfs/dbraw/zinc/85/97/32/822859732.db2.gz CYMPMFBFFBLOBI-QHCPKHFHSA-N 1 0 392.547 4.082 20 0 GIADRO O=C(c1ccncc1)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457196138 822860158 /nfs/dbraw/zinc/86/01/58/822860158.db2.gz PURISLDCBXGSRG-QHCPKHFHSA-N 1 0 377.532 4.379 20 0 GIADRO O=C(C1=CCOCC1)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457196240 822860214 /nfs/dbraw/zinc/86/02/14/822860214.db2.gz QXOGVJSBZYSBPJ-HSZRJFAPSA-N 1 0 382.548 4.017 20 0 GIADRO C[C@H](CNC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1)c1nccs1 ZINC000186200026 822860265 /nfs/dbraw/zinc/86/02/65/822860265.db2.gz OIZARUPQUNKISQ-IAGOWNOFSA-N 1 0 386.565 4.209 20 0 GIADRO C[N@H+](CCCCNC(=O)[C@@H](Oc1ccc(F)c(F)c1)c1ccccc1)C1CC1 ZINC000457197647 822860312 /nfs/dbraw/zinc/86/03/12/822860312.db2.gz IOBPLKDGUWFVOY-NRFANRHFSA-N 1 0 388.458 4.076 20 0 GIADRO C[N@H+](CCCCNC(=O)[C@H](Oc1ccc(F)c(F)c1)c1ccccc1)C1CC1 ZINC000457197648 822860324 /nfs/dbraw/zinc/86/03/24/822860324.db2.gz IOBPLKDGUWFVOY-OAQYLSRUSA-N 1 0 388.458 4.076 20 0 GIADRO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000457213388 822861039 /nfs/dbraw/zinc/86/10/39/822861039.db2.gz YVDQIFFMOSITDU-UHFFFAOYSA-N 1 0 379.863 4.047 20 0 GIADRO Cc1ccc2nc(C)c(C(=O)N(C)C[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc2c1 ZINC000174959004 822861451 /nfs/dbraw/zinc/86/14/51/822861451.db2.gz GWRIAVODVBVGFW-NRFANRHFSA-N 1 0 387.527 4.446 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000054119965 822862810 /nfs/dbraw/zinc/86/28/10/822862810.db2.gz CLFIAPZQAXURSV-NHCUHLMSSA-N 1 0 386.898 4.363 20 0 GIADRO COc1cc(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)ccc1OC(C)C ZINC000186228763 822862895 /nfs/dbraw/zinc/86/28/95/822862895.db2.gz SMBMNJZOMDKKMO-QGZVFWFLSA-N 1 0 387.480 4.034 20 0 GIADRO CC(C)(C)OC(=O)C1CCC([NH2+][C@H]2CCO[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000186232508 822863080 /nfs/dbraw/zinc/86/30/80/822863080.db2.gz QAWXGMDTDMXDEK-JPTANXAOSA-N 1 0 381.463 4.285 20 0 GIADRO Cc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1NC(=O)CC[NH+](C)C ZINC000186235617 822863557 /nfs/dbraw/zinc/86/35/57/822863557.db2.gz FXPDTUQEIIHLOJ-UHFFFAOYSA-N 1 0 394.302 4.444 20 0 GIADRO C[NH+]1CCC(NC(=O)c2ccc(-c3ccc(Br)cc3)s2)CC1 ZINC000054147944 822864121 /nfs/dbraw/zinc/86/41/21/822864121.db2.gz DFILPBJFGYAJRL-UHFFFAOYSA-N 1 0 379.323 4.002 20 0 GIADRO CC(C)Oc1ccc2ccccc2c1CNC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000568961065 822865278 /nfs/dbraw/zinc/86/52/78/822865278.db2.gz ZOILNQQSLFWMCD-UHFFFAOYSA-N 1 0 395.547 4.443 20 0 GIADRO COCCCOc1ccccc1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000054169560 822865315 /nfs/dbraw/zinc/86/53/15/822865315.db2.gz BWLOOXQRVPOBIS-UHFFFAOYSA-N 1 0 382.504 4.340 20 0 GIADRO CC(C)N1CCC[C@@H]([NH2+][C@@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)C1=O ZINC000174999064 822865588 /nfs/dbraw/zinc/86/55/88/822865588.db2.gz XAPFBTKTLUBVQA-HRAATJIYSA-N 1 0 397.494 4.128 20 0 GIADRO C[C@H](CCNC(=O)N1CCCC[C@@H]1c1nc2ccccc2[nH]1)[NH+]1CCCCC1 ZINC000568964983 822865929 /nfs/dbraw/zinc/86/59/29/822865929.db2.gz FLWYDHBQJJGTET-YLJYHZDGSA-N 1 0 383.540 4.064 20 0 GIADRO O=C(NC1CC[NH+](C2CCCC2)CC1)C1c2ccccc2Oc2ccccc21 ZINC000175003918 822865947 /nfs/dbraw/zinc/86/59/47/822865947.db2.gz RTRWNTQEBAUYMI-UHFFFAOYSA-N 1 0 376.500 4.447 20 0 GIADRO CC[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1)c1ccccc1OCC(=O)NC ZINC000054175954 822866117 /nfs/dbraw/zinc/86/61/17/822866117.db2.gz CXPWNRWHHHZTRF-KRWDZBQOSA-N 1 0 381.303 4.359 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+][C@H]1CCCN(C(C)C)C1=O ZINC000175007733 822866324 /nfs/dbraw/zinc/86/63/24/822866324.db2.gz IPYGVIUCNUVOGX-DYVFJYSZSA-N 1 0 375.513 4.308 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1c(F)cccc1OC ZINC000186263449 822866861 /nfs/dbraw/zinc/86/68/61/822866861.db2.gz PKBTZFSLTJVRDQ-SFHVURJKSA-N 1 0 385.483 4.210 20 0 GIADRO CCC[NH+](CCC)CCCC(=O)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000457330501 822866989 /nfs/dbraw/zinc/86/69/89/822866989.db2.gz PWNSMNQOMABVLA-SFHVURJKSA-N 1 0 396.373 4.410 20 0 GIADRO Cc1ccc(CCC(=O)Nc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)c(C)c1 ZINC000186275010 822868507 /nfs/dbraw/zinc/86/85/07/822868507.db2.gz VICQJECYVXUAPD-UHFFFAOYSA-N 1 0 381.520 4.073 20 0 GIADRO Cc1oc2ccccc2c1C(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1 ZINC000186274489 822868512 /nfs/dbraw/zinc/86/85/12/822868512.db2.gz PIIHJOKUCRYXBJ-UHFFFAOYSA-N 1 0 379.460 4.192 20 0 GIADRO [NH3+]CCCn1ccc2cc(C(=O)NC[C@H](c3ccccc3)C(F)(F)F)ccc21 ZINC000568998706 822868676 /nfs/dbraw/zinc/86/86/76/822868676.db2.gz KASVTRKRLWUGEM-GOSISDBHSA-N 1 0 389.421 4.066 20 0 GIADRO COc1cccc(F)c1NC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000186275573 822868689 /nfs/dbraw/zinc/86/86/89/822868689.db2.gz WGTBBNRNAXRPBT-UHFFFAOYSA-N 1 0 385.483 4.210 20 0 GIADRO C[C@H](c1ccc(F)cc1)N(C)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000054218773 822868901 /nfs/dbraw/zinc/86/89/01/822868901.db2.gz IACALIQZUFVEQX-CRAIPNDOSA-N 1 0 375.513 4.427 20 0 GIADRO COC(=O)c1sccc1C[NH2+][C@H]1CCN(C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000569010370 822869255 /nfs/dbraw/zinc/86/92/55/822869255.db2.gz IWXQRNVNSMXGFW-ZWKOTPCHSA-N 1 0 394.487 4.127 20 0 GIADRO COc1ccc2[nH+]cc(C(=O)[O-])c(N3CCC[C@@H](C[N@@H+]4CCCC[C@@H]4C)C3)c2c1 ZINC000569007925 822869261 /nfs/dbraw/zinc/86/92/61/822869261.db2.gz PFUTUBHSBBOKOO-IRXDYDNUSA-N 1 0 397.519 4.032 20 0 GIADRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)Nc1cccc(COCc2ccco2)c1 ZINC000186278851 822869329 /nfs/dbraw/zinc/86/93/29/822869329.db2.gz NZLOHHMYXLOEJO-SFHVURJKSA-N 1 0 385.508 4.382 20 0 GIADRO C[C@@H]([NH2+]Cc1coc(-c2cccc(F)c2)n1)C1CCN(CC(F)(F)F)CC1 ZINC000569014249 822869692 /nfs/dbraw/zinc/86/96/92/822869692.db2.gz OZAWGUSZLAKCPC-CYBMUJFWSA-N 1 0 385.405 4.233 20 0 GIADRO COc1ccccc1[C@H]1[C@@H]([NH3+])CCCN1C(=O)[C@H](C)CCCc1ccccc1 ZINC000457362117 822870350 /nfs/dbraw/zinc/87/03/50/822870350.db2.gz MFAIXPYYQKQXIK-JZWVFAODSA-N 1 0 380.532 4.345 20 0 GIADRO CC(=O)N(c1nc(C[NH2+]CCC[C@@H]2CCCCO2)cs1)c1ccc(F)cc1 ZINC000186287204 822870895 /nfs/dbraw/zinc/87/08/95/822870895.db2.gz ZQLGTPGDYYTQJT-IBGZPJMESA-N 1 0 391.512 4.406 20 0 GIADRO Cc1nc(C2CCCC2)sc1C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H]([NH3+])C1 ZINC000457370467 822870919 /nfs/dbraw/zinc/87/09/19/822870919.db2.gz OLUIKTQOXPAAIH-ZWKOTPCHSA-N 1 0 387.524 4.205 20 0 GIADRO CCc1cc(N2CCC([NH2+][C@@H](C)c3ccc(Br)cc3)CC2)ncn1 ZINC000175030117 822870983 /nfs/dbraw/zinc/87/09/83/822870983.db2.gz UMGBYBILNJMNPY-AWEZNQCLSA-N 1 0 389.341 4.121 20 0 GIADRO [NH3+][C@@H]1CN(C(=O)CCc2cccc(C(F)(F)F)c2)CC[C@H]1c1ccc(F)cc1 ZINC000457373295 822871091 /nfs/dbraw/zinc/87/10/91/822871091.db2.gz JUKXCSPXIQYIOM-RBUKOAKNSA-N 1 0 394.412 4.121 20 0 GIADRO Cc1nc(-c2cccc(C(=O)N3CC[C@@H](c4ccc(F)cc4)[C@@H]([NH3+])C3)c2)cs1 ZINC000457376604 822871228 /nfs/dbraw/zinc/87/12/28/822871228.db2.gz ZDZLWZPUZGGMRT-PMACEKPBSA-N 1 0 395.503 4.215 20 0 GIADRO Cc1csc(-c2cccc(C(=O)N3CC[C@@H](c4ccc(F)cc4)[C@@H]([NH3+])C3)c2)n1 ZINC000457375635 822871256 /nfs/dbraw/zinc/87/12/56/822871256.db2.gz YFFRKLGBEJSBOT-PMACEKPBSA-N 1 0 395.503 4.215 20 0 GIADRO [NH3+][C@H]1CN(C(=O)CCCc2nc3ccccc3s2)CC[C@@H]1c1ccc(F)cc1 ZINC000457374877 822871290 /nfs/dbraw/zinc/87/12/90/822871290.db2.gz WZCOWAALQMMOPH-MSOLQXFVSA-N 1 0 397.519 4.102 20 0 GIADRO Cc1nc(-c2cccc(C(=O)N3CC[C@H](c4ccc(F)cc4)[C@@H]([NH3+])C3)c2)cs1 ZINC000457376605 822871347 /nfs/dbraw/zinc/87/13/47/822871347.db2.gz ZDZLWZPUZGGMRT-UXHICEINSA-N 1 0 395.503 4.215 20 0 GIADRO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000457379781 822871513 /nfs/dbraw/zinc/87/15/13/822871513.db2.gz ULIQYCWUACENOC-DYVFJYSZSA-N 1 0 376.932 4.437 20 0 GIADRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000457379784 822871667 /nfs/dbraw/zinc/87/16/67/822871667.db2.gz ULIQYCWUACENOC-SUMWQHHRSA-N 1 0 376.932 4.437 20 0 GIADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)Nc1ccc(-c2nc(C3CC3)no2)cc1C ZINC000569037463 822871937 /nfs/dbraw/zinc/87/19/37/822871937.db2.gz OIXWFKWBPMFFOX-OAHLLOKOSA-N 1 0 385.512 4.164 20 0 GIADRO Cc1nc(-c2ccccc2)c(C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)s1 ZINC000457386773 822871974 /nfs/dbraw/zinc/87/19/74/822871974.db2.gz TYXQQGQWUMOQFJ-MOPGFXCFSA-N 1 0 395.503 4.215 20 0 GIADRO Cc1nc(-c2ccccc2)c(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)s1 ZINC000457386779 822872012 /nfs/dbraw/zinc/87/20/12/822872012.db2.gz TYXQQGQWUMOQFJ-RBUKOAKNSA-N 1 0 395.503 4.215 20 0 GIADRO CC(C)S(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2cccc(N3CCCC3)c2)cc1 ZINC000569040539 822872334 /nfs/dbraw/zinc/87/23/34/822872334.db2.gz GOCAFJSJLQXXOB-SFHVURJKSA-N 1 0 386.561 4.320 20 0 GIADRO COc1ccc([C@@H]2CCN(C(=O)c3cc(Cl)cc(Cl)c3)C[C@H]2[NH3+])cc1F ZINC000457393349 822872595 /nfs/dbraw/zinc/87/25/95/822872595.db2.gz ZGFRIDCHXMXZNH-DOTOQJQBSA-N 1 0 397.277 4.098 20 0 GIADRO COC(=O)c1ccccc1OCC[NH+]1CCC(c2noc3cc(F)ccc32)CC1 ZINC000569054913 822874460 /nfs/dbraw/zinc/87/44/60/822874460.db2.gz RKJNVRHGTXABIW-UHFFFAOYSA-N 1 0 398.434 4.012 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1cc(Br)co1 ZINC000457444103 822875560 /nfs/dbraw/zinc/87/55/60/822875560.db2.gz BEAHALGYZCVELF-UHFFFAOYSA-N 1 0 381.270 4.015 20 0 GIADRO C[C@@H](CC(C)(C)c1ccccc1)[NH2+][C@@H]1CCCc2c1cnn2-c1ncccn1 ZINC000569061565 822875576 /nfs/dbraw/zinc/87/55/76/822875576.db2.gz NNIJZUPPELIBAX-FXAWDEMLSA-N 1 0 375.520 4.386 20 0 GIADRO CCC[N@H+](CCCc1cnn(C)c1)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000054316549 822875856 /nfs/dbraw/zinc/87/58/56/822875856.db2.gz MFWXNKZRRLBSRM-UHFFFAOYSA-N 1 0 383.323 4.010 20 0 GIADRO COc1ccc(OCc2ccccn2)c(C[NH2+]C[C@H]2CCCO[C@@H]2C(C)C)c1 ZINC000175063205 822876292 /nfs/dbraw/zinc/87/62/92/822876292.db2.gz LUZZWPOMQMSYPX-WZONZLPQSA-N 1 0 384.520 4.210 20 0 GIADRO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000569068642 822876330 /nfs/dbraw/zinc/87/63/30/822876330.db2.gz XWHUYHKUODOKCI-RTWAWAEBSA-N 1 0 377.536 4.098 20 0 GIADRO COc1ccc(C(=O)Nc2cccc(C[NH2+]C[C@@H]3CCCO[C@@H]3C(C)C)c2)cc1 ZINC000175064414 822876541 /nfs/dbraw/zinc/87/65/41/822876541.db2.gz FVHYGZMRBNYCBG-NZQKXSOJSA-N 1 0 396.531 4.488 20 0 GIADRO CCN(C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)[C@H](C)c1cccnc1 ZINC000186328993 822876829 /nfs/dbraw/zinc/87/68/29/822876829.db2.gz NUBAEJDNEMFUSW-GCJKJVERSA-N 1 0 380.536 4.085 20 0 GIADRO Cc1noc(C2CC[NH+](CCOC(c3ccccc3)c3ccccc3)CC2)n1 ZINC000054347535 822877247 /nfs/dbraw/zinc/87/72/47/822877247.db2.gz UEABCDUJPHMTQM-UHFFFAOYSA-N 1 0 377.488 4.364 20 0 GIADRO C[C@H]([NH2+]C1CCC(O)(c2cccnc2)CC1)c1cc(Br)ccc1F ZINC000186333260 822877478 /nfs/dbraw/zinc/87/74/78/822877478.db2.gz MKAKURJHIQFRHW-ISWZSGDOSA-N 1 0 393.300 4.464 20 0 GIADRO C[C@@H]([NH2+]C1CCC(O)(c2cccnc2)CC1)c1ccccc1OC(F)(F)F ZINC000186334262 822877670 /nfs/dbraw/zinc/87/76/70/822877670.db2.gz USYYRLYBFWCLFD-ICXUMSERSA-N 1 0 380.410 4.461 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)N[C@@H](c1nc(C)cs1)C1CC1)c1ccsc1 ZINC000175074387 822877935 /nfs/dbraw/zinc/87/79/35/822877935.db2.gz MRKZLMPRCOJAOQ-IAGOWNOFSA-N 1 0 392.594 4.346 20 0 GIADRO O=C(Nc1ccc(OCc2ccncc2)cc1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000569083469 822878258 /nfs/dbraw/zinc/87/82/58/822878258.db2.gz QDPIPWHYMJASDD-SIKLNZKXSA-N 1 0 394.519 4.047 20 0 GIADRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@](C)(O)[C@H](C)c1ccccc1 ZINC000175078015 822878369 /nfs/dbraw/zinc/87/83/69/822878369.db2.gz TUKFDBWHLNITMH-WZONZLPQSA-N 1 0 398.572 4.037 20 0 GIADRO O=C(COc1ccccc1C[NH2+]CCc1cc2ccccc2s1)N1CCCC1 ZINC000569083764 822878390 /nfs/dbraw/zinc/87/83/90/822878390.db2.gz UNHVKICIYHZQKU-UHFFFAOYSA-N 1 0 394.540 4.235 20 0 GIADRO Cc1cc(Br)c(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)s1 ZINC000457472782 822878487 /nfs/dbraw/zinc/87/84/87/822878487.db2.gz REJQCWBUTLINBS-DZGCQCFKSA-N 1 0 393.350 4.384 20 0 GIADRO C[C@H](NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)c1cccc(Cl)c1 ZINC000457473621 822878610 /nfs/dbraw/zinc/87/86/10/822878610.db2.gz YKCCOLODUOWIAY-ZDUSSCGKSA-N 1 0 391.865 4.459 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)c(C)c1OC ZINC000569089063 822879122 /nfs/dbraw/zinc/87/91/22/822879122.db2.gz DNEWZWYGDPCQNU-PVAVHDDUSA-N 1 0 382.504 4.029 20 0 GIADRO CC(C)c1nc([C@@H](C)[NH2+]C[C@H](O)c2cc(Cl)c3c(c2)OCCO3)cs1 ZINC000186351566 822880418 /nfs/dbraw/zinc/88/04/18/822880418.db2.gz OPHNAYIEQYHXDG-ABAIWWIYSA-N 1 0 382.913 4.075 20 0 GIADRO CCN(C(=O)c1cc(Br)co1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000457492797 822881444 /nfs/dbraw/zinc/88/14/44/822881444.db2.gz PPECIZCRAQGJGI-YOEHRIQHSA-N 1 0 391.309 4.340 20 0 GIADRO CCOCCOc1cc(C)ccc1C[NH2+]Cc1ccc(C)cc1-c1cnn(C)c1 ZINC000569123676 822881654 /nfs/dbraw/zinc/88/16/54/822881654.db2.gz BOBDWVITLBBJTK-UHFFFAOYSA-N 1 0 393.531 4.409 20 0 GIADRO O=C(Nc1ccccc1)c1ccc(C[N@@H+]2CCNC(=O)C[C@@H]2c2ccccc2)cc1 ZINC000054395835 822881730 /nfs/dbraw/zinc/88/17/30/822881730.db2.gz QQWHOWRLVPGFJP-HSZRJFAPSA-N 1 0 399.494 4.002 20 0 GIADRO CC[C@H](NC(=O)NCC[N@@H+]1CCCC[C@H]1CC)c1nc(C(F)(F)F)cs1 ZINC000175100691 822882179 /nfs/dbraw/zinc/88/21/79/822882179.db2.gz LGCDQLSZBUYZKK-OLZOCXBDSA-N 1 0 392.491 4.177 20 0 GIADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)CCCOc1cccc(Cl)c1Cl ZINC000569133457 822882536 /nfs/dbraw/zinc/88/25/36/822882536.db2.gz PQEVAZNIISPTDZ-HUUCEWRRSA-N 1 0 385.335 4.238 20 0 GIADRO Cc1ccc(NC(=O)C(C)C)cc1NC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000054412226 822883293 /nfs/dbraw/zinc/88/32/93/822883293.db2.gz GLVKKMMAXXJHAA-MRXNPFEDSA-N 1 0 388.556 4.222 20 0 GIADRO Cc1nccn1-c1ccc(C[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)cc1F ZINC000186370962 822883354 /nfs/dbraw/zinc/88/33/54/822883354.db2.gz IGHOZDAJQYNHOV-UHFFFAOYSA-N 1 0 381.451 4.255 20 0 GIADRO COC(=O)N1CCC([C@@H](C)[NH2+]Cc2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000186370330 822883414 /nfs/dbraw/zinc/88/34/14/822883414.db2.gz CWYQTMZBHINLHA-CYBMUJFWSA-N 1 0 393.940 4.420 20 0 GIADRO Cc1ccccc1C1(C[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)CCOCC1 ZINC000186370534 822883461 /nfs/dbraw/zinc/88/34/61/822883461.db2.gz OTAKHGLESMIGGU-UHFFFAOYSA-N 1 0 381.516 4.478 20 0 GIADRO CC[NH+]1CCC(CNC(=O)N2CCC[C@H]2c2ccc(Br)cc2)CC1 ZINC000569141974 822883489 /nfs/dbraw/zinc/88/34/89/822883489.db2.gz WPXVCCBFRDJFAH-SFHVURJKSA-N 1 0 394.357 4.028 20 0 GIADRO CC1(C)OCc2cc(C[NH2+]Cc3ccc(C(=O)N4CCCCC4)cc3)ccc2O1 ZINC000186371935 822883645 /nfs/dbraw/zinc/88/36/45/822883645.db2.gz FEHXLZVFTDSGKB-UHFFFAOYSA-N 1 0 394.515 4.248 20 0 GIADRO COc1cc(OC)cc(N2CC[C@@H]([NH2+][C@H](C)c3csc(C(C)C)n3)C2)c1 ZINC000186373014 822883749 /nfs/dbraw/zinc/88/37/49/822883749.db2.gz LHHBLPRLXJESTK-HUUCEWRRSA-N 1 0 375.538 4.213 20 0 GIADRO O=C(CC[NH+]1CCC(OCc2ccccc2)CC1)NCc1ccccc1Cl ZINC000054429389 822884369 /nfs/dbraw/zinc/88/43/69/822884369.db2.gz HZVWMYJBDGGJCO-UHFFFAOYSA-N 1 0 386.923 4.028 20 0 GIADRO COc1ccccc1[C@@H](C[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1)OC(C)C ZINC000186381327 822885240 /nfs/dbraw/zinc/88/52/40/822885240.db2.gz BATNIABSXGJVTI-HTAPYJJXSA-N 1 0 380.492 4.093 20 0 GIADRO CC[NH+]1CCC(C[NH2+][C@H](c2ccco2)c2ccc(Br)cc2)CC1 ZINC000569155792 822885312 /nfs/dbraw/zinc/88/53/12/822885312.db2.gz NKBGSTCHDXBPOX-IBGZPJMESA-N 1 0 377.326 4.453 20 0 GIADRO CC(C)c1cc(C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)c2ccccc2n1 ZINC000175117770 822885543 /nfs/dbraw/zinc/88/55/43/822885543.db2.gz FAWIFIHNHCIDCW-UHFFFAOYSA-N 1 0 395.547 4.075 20 0 GIADRO Cc1nc([C@H]2CCCN2C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)cs1 ZINC000186384702 822885958 /nfs/dbraw/zinc/88/59/58/822885958.db2.gz KAERVHKQEKAVDV-RVKKMQEKSA-N 1 0 378.586 4.055 20 0 GIADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2ccc(Oc3cccc(F)c3)cn2)C1 ZINC000457531961 822886792 /nfs/dbraw/zinc/88/67/92/822886792.db2.gz WWBYJXNDXGTOCF-ZHALLVOQSA-N 1 0 397.494 4.490 20 0 GIADRO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1c(Cl)cccc1Cl ZINC000175123043 822886925 /nfs/dbraw/zinc/88/69/25/822886925.db2.gz FOWYQIJLJDIRJL-MRXNPFEDSA-N 1 0 377.315 4.288 20 0 GIADRO C[C@@H](CC(F)(F)F)C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC000457534191 822886987 /nfs/dbraw/zinc/88/69/87/822886987.db2.gz NVAWYEJRXJPIER-AWEZNQCLSA-N 1 0 385.430 4.028 20 0 GIADRO Cc1cccc2c1OC[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)C3CCCC3)cc1)C2 ZINC000569175122 822888894 /nfs/dbraw/zinc/88/88/94/822888894.db2.gz ZSNOYGVRAUEZRG-PXNSSMCTSA-N 1 0 399.556 4.366 20 0 GIADRO CCN(CC)C(=O)c1ccc(C[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)cc1 ZINC000186406114 822889218 /nfs/dbraw/zinc/88/92/18/822889218.db2.gz LTPOLGXSGYJSHS-UHFFFAOYSA-N 1 0 382.504 4.104 20 0 GIADRO CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)C2C[NH+](C3CCCCC3)C2)c1 ZINC000457552927 822889907 /nfs/dbraw/zinc/88/99/07/822889907.db2.gz MVGIUJRPOPLHER-UHFFFAOYSA-N 1 0 391.943 4.023 20 0 GIADRO O=C(NCc1ccc2c[nH+]cn2c1)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000569197076 822891540 /nfs/dbraw/zinc/89/15/40/822891540.db2.gz XUIAOCLNSDBKEI-GOSISDBHSA-N 1 0 388.393 4.304 20 0 GIADRO Cc1ccccc1Oc1ccc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)nc1 ZINC000457566949 822892191 /nfs/dbraw/zinc/89/21/91/822892191.db2.gz DJKADOFPXDTJGA-LJQANCHMSA-N 1 0 379.504 4.273 20 0 GIADRO CCn1c(=S)n(CN2CC[N@H+](C)C[C@@H]2c2ccccc2)nc1-c1cccs1 ZINC000054519360 822892767 /nfs/dbraw/zinc/89/27/67/822892767.db2.gz JXNXOVPIIFVYFB-QGZVFWFLSA-N 1 0 399.589 4.109 20 0 GIADRO Cc1cc(OCc2ccccc2)c(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)s1 ZINC000457576414 822893703 /nfs/dbraw/zinc/89/37/03/822893703.db2.gz MIRDDPDUPRITJF-IBGZPJMESA-N 1 0 384.545 4.193 20 0 GIADRO C[C@H](CC(F)(F)F)C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000457576575 822893707 /nfs/dbraw/zinc/89/37/07/822893707.db2.gz LUGUFQRJYBSHHH-CQSZACIVSA-N 1 0 385.430 4.028 20 0 GIADRO Cc1[nH]nc2ncc(CNc3ccc(SCC[NH+]4CCCCC4)cc3)cc12 ZINC000569220902 822894115 /nfs/dbraw/zinc/89/41/15/822894115.db2.gz GBJPTRHVIKIZHF-UHFFFAOYSA-N 1 0 381.549 4.456 20 0 GIADRO O=C(c1ccc(Oc2cccc(Cl)c2)cn1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000457581546 822894211 /nfs/dbraw/zinc/89/42/11/822894211.db2.gz REPUPPJCECCZEG-MRXNPFEDSA-N 1 0 385.895 4.085 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(Oc3cccc(Cl)c3)cn2)[C@H](C)C1 ZINC000457583433 822894362 /nfs/dbraw/zinc/89/43/62/822894362.db2.gz AECNJQZXIJJJAJ-FOIQADDNSA-N 1 0 387.911 4.330 20 0 GIADRO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]Cc1nc(COc2ccccc2)n[nH]1 ZINC000186433700 822894553 /nfs/dbraw/zinc/89/45/53/822894553.db2.gz RYROKVKBDAMGCT-CABCVRRESA-N 1 0 393.516 4.275 20 0 GIADRO O=C(NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000569228736 822894642 /nfs/dbraw/zinc/89/46/42/822894642.db2.gz GRBIYHQASHESCL-DFGXFYAUSA-N 1 0 386.433 4.004 20 0 GIADRO O[C@@H](C[NH2+][C@H]1CCOC2(CCCC2)C1)Cn1c2ccccc2c2ccccc21 ZINC000569232065 822894941 /nfs/dbraw/zinc/89/49/41/822894941.db2.gz HSMKSULEFIEMMY-OALUTQOASA-N 1 0 378.516 4.237 20 0 GIADRO CCOc1c(F)cccc1C(=O)Nc1cc(C[NH+]2CCSCC2)ccc1C ZINC000175172742 822897439 /nfs/dbraw/zinc/89/74/39/822897439.db2.gz XTHVYUGANMFMPU-UHFFFAOYSA-N 1 0 388.508 4.334 20 0 GIADRO CC[C@H](c1ccc(Br)cc1)[NH+]1CCC([C@H]2NC(=O)C2(C)C)CC1 ZINC000569255620 822897592 /nfs/dbraw/zinc/89/75/92/822897592.db2.gz BCKVJHMNVNAFCT-IAGOWNOFSA-N 1 0 379.342 4.137 20 0 GIADRO CS[C@@H]1CCN(C(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)C1 ZINC000457618449 822897788 /nfs/dbraw/zinc/89/77/88/822897788.db2.gz QDTYMJNQIHFQST-HXUWFJFHSA-N 1 0 383.561 4.062 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)COCc2cccc(Cl)c2)CC[N@@H+]1Cc1ccccc1 ZINC000457629419 822898689 /nfs/dbraw/zinc/89/86/89/822898689.db2.gz KWNNWJDUZBTZLF-UTKZUKDTSA-N 1 0 386.923 4.026 20 0 GIADRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)N1CC(c2ccc(Cl)cc2)C1 ZINC000457639775 822899841 /nfs/dbraw/zinc/89/98/41/822899841.db2.gz PUJBGYLFIQSHSW-UHFFFAOYSA-N 1 0 397.950 4.156 20 0 GIADRO C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000457640399 822899917 /nfs/dbraw/zinc/89/99/17/822899917.db2.gz QZDMAYXFSATGMH-DNVFCKCGSA-N 1 0 392.547 4.022 20 0 GIADRO C[C@@H]1OCC[C@]1(O)C[N@H+](Cc1ccc(C(F)(F)F)s1)Cc1ccccc1 ZINC000569276022 822900092 /nfs/dbraw/zinc/90/00/92/822900092.db2.gz JOIYIPRUFRSUBG-KSSFIOAISA-N 1 0 385.451 4.309 20 0 GIADRO Cc1ncc([C@H](C)[NH2+]C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)s1 ZINC000186468456 822900351 /nfs/dbraw/zinc/90/03/51/822900351.db2.gz LTGKYNJEIOLPST-LBPRGKRZSA-N 1 0 397.466 4.426 20 0 GIADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)[C@@H](C)Oc1ccc(F)cc1Cl)c1ccco1 ZINC000569280326 822900762 /nfs/dbraw/zinc/90/07/62/822900762.db2.gz BRCWFJQHBDWCGL-ZENOOKHLSA-N 1 0 382.863 4.085 20 0 GIADRO Cc1c([C@@H](C)[NH2+]CCc2nn(C)c3ccccc23)nnn1-c1ccc(Cl)cc1 ZINC000186473567 822901055 /nfs/dbraw/zinc/90/10/55/822901055.db2.gz WWUAPIPTTPJAMZ-CQSZACIVSA-N 1 0 394.910 4.009 20 0 GIADRO CCOc1ccc(C2(C[NH2+]Cc3ccc(OC)c(OC)c3C)CCOCC2)cc1 ZINC000569285583 822901541 /nfs/dbraw/zinc/90/15/41/822901541.db2.gz SPTOWDQWJBQQMD-UHFFFAOYSA-N 1 0 399.531 4.249 20 0 GIADRO C[C@H](NC(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1)c1cncc(F)c1 ZINC000457653931 822901693 /nfs/dbraw/zinc/90/16/93/822901693.db2.gz AENKHTANAIGCCA-BZSNNMDCSA-N 1 0 398.526 4.259 20 0 GIADRO Cc1ccc(-c2nc(-c3nc([C@H]4C[N@@H+]5CCC[C@]5(C)CO4)no3)cs2)c(C)c1 ZINC000569290565 822902237 /nfs/dbraw/zinc/90/22/37/822902237.db2.gz ZKPRBSPAZSRRLY-DYESRHJHSA-N 1 0 396.516 4.403 20 0 GIADRO CC[C@@H](CC(F)F)C(=O)Nc1c(C)cnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000457661601 822902976 /nfs/dbraw/zinc/90/29/76/822902976.db2.gz IHQSKPOBCDAHNU-ROUUACIJSA-N 1 0 390.478 4.258 20 0 GIADRO FC(F)(F)c1ccn(-c2ccc(C[N@@H+]3CC[C@@H](n4cc(Cl)cn4)C3)cc2)n1 ZINC000569296627 822903509 /nfs/dbraw/zinc/90/35/09/822903509.db2.gz CXSMAANBUIKTHS-MRXNPFEDSA-N 1 0 395.816 4.188 20 0 GIADRO CC[C@H](C)c1ccccc1OCC(=O)Nc1ccccc1N1CC[NH+](CC)CC1 ZINC000054671986 822903566 /nfs/dbraw/zinc/90/35/66/822903566.db2.gz LAGLLGPHMMLALI-IBGZPJMESA-N 1 0 395.547 4.360 20 0 GIADRO Cc1cccc([C@@H]2NC(=O)N(C3CC[NH+]([C@@H](C)c4ccccc4)CC3)C2=O)c1C ZINC000569301055 822904363 /nfs/dbraw/zinc/90/43/63/822904363.db2.gz ODTQJXVFQDGKOL-AVRDEDQJSA-N 1 0 391.515 4.122 20 0 GIADRO Cc1ccc(Br)c(C)c1C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000569306539 822904818 /nfs/dbraw/zinc/90/48/18/822904818.db2.gz SPDKTFONRCQNRY-HNNXBMFYSA-N 1 0 381.339 4.160 20 0 GIADRO CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000175212992 822905684 /nfs/dbraw/zinc/90/56/84/822905684.db2.gz MHZCLBHUAAEAGP-QHCPKHFHSA-N 1 0 394.563 4.017 20 0 GIADRO CCCOC[C@H](Cc1cccc(Br)c1)[NH2+][C@H](C)c1cn(C)nc1C ZINC000186502833 822905900 /nfs/dbraw/zinc/90/59/00/822905900.db2.gz FQODJZHOEQFUCL-KDOFPFPSSA-N 1 0 394.357 4.180 20 0 GIADRO O=C(c1ccc(Oc2cccc(F)c2)cn1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000457688405 822906847 /nfs/dbraw/zinc/90/68/47/822906847.db2.gz VHKWOWXEOLWXRP-KSFYIVLOSA-N 1 0 395.478 4.102 20 0 GIADRO CC(C)c1nccn1Cc1cccc(NC(=O)NC[C@]2(C)CCCC[C@H]2O)c1 ZINC000175218301 822907210 /nfs/dbraw/zinc/90/72/10/822907210.db2.gz ULZOXJAWLCKMEJ-KNQAVFIVSA-N 1 0 384.524 4.118 20 0 GIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N(C)Cc2nc3ccccc3s2)C1 ZINC000054718027 822907327 /nfs/dbraw/zinc/90/73/27/822907327.db2.gz RFCJBEFQRILKEZ-WMZOPIPTSA-N 1 0 394.544 4.273 20 0 GIADRO CC(C)Oc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(Cl)c1 ZINC000457691671 822907505 /nfs/dbraw/zinc/90/75/05/822907505.db2.gz ZDFHBBRJMOERSE-QRWLVFNGSA-N 1 0 376.928 4.216 20 0 GIADRO CC[C@@H](CC(F)F)C(=O)Nc1cc(C)nn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000457692315 822907567 /nfs/dbraw/zinc/90/75/67/822907567.db2.gz ZNQCFLFENPSOTK-ROUUACIJSA-N 1 0 390.478 4.258 20 0 GIADRO COc1ccc(C[NH2+]C[C@H](O)Cn2c3ccccc3c3ccccc32)cc1F ZINC000569326653 822907871 /nfs/dbraw/zinc/90/78/71/822907871.db2.gz AWNUCSYAGTVCPX-KRWDZBQOSA-N 1 0 378.447 4.093 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)N2CCC[C@@H]2c2csc(C)n2)[NH+]2CCCC2)o1 ZINC000186523232 822908361 /nfs/dbraw/zinc/90/83/61/822908361.db2.gz RRKDGJGUBVKLKR-QZTJIDSGSA-N 1 0 388.537 4.037 20 0 GIADRO COc1ccc(C[C@H]([NH2+][C@@H](CCO)c2ccco2)c2ccc(OC)cc2)cc1 ZINC000186534922 822909998 /nfs/dbraw/zinc/90/99/98/822909998.db2.gz LJOMFUKWCVWUSV-VXKWHMMOSA-N 1 0 381.472 4.294 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2cnccc2C(F)(F)F)CC1 ZINC000569353275 822910597 /nfs/dbraw/zinc/91/05/97/822910597.db2.gz OEWJGRIRFMJXEA-HNNXBMFYSA-N 1 0 383.458 4.217 20 0 GIADRO C[N@H+](CCNC(=O)N(Cc1ccco1)Cc1cccs1)Cc1ccccc1 ZINC000054763567 822911047 /nfs/dbraw/zinc/91/10/47/822911047.db2.gz WSGIGRKDRZDHFU-UHFFFAOYSA-N 1 0 383.517 4.185 20 0 GIADRO O=C(Cc1ccc(F)c(Br)c1)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000054774450 822911493 /nfs/dbraw/zinc/91/14/93/822911493.db2.gz OEUADINHKVTCHW-UHFFFAOYSA-N 1 0 391.284 4.365 20 0 GIADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1cccc(COc2cccc(F)c2)c1 ZINC000569373106 822912645 /nfs/dbraw/zinc/91/26/45/822912645.db2.gz GDZGBQYPYQCXOT-VGSWGCGISA-N 1 0 397.494 4.495 20 0 GIADRO COc1ccc([C@@H](NC(=O)NCCCC[NH+]2CCC(C)CC2)c2ccco2)cc1 ZINC000457741711 822913323 /nfs/dbraw/zinc/91/33/23/822913323.db2.gz KXSPPIIFVGZIQN-JOCHJYFZSA-N 1 0 399.535 4.189 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC(c2cccc(C(F)(F)F)c2)C1 ZINC000457743037 822913486 /nfs/dbraw/zinc/91/34/86/822913486.db2.gz QSOZXJTYFDSPFI-MRXNPFEDSA-N 1 0 397.485 4.469 20 0 GIADRO CC(=O)c1oc2cc(C)ccc2c1CC(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000569395289 822916197 /nfs/dbraw/zinc/91/61/97/822916197.db2.gz OPOQGHZDAODRSE-KRWDZBQOSA-N 1 0 392.499 4.123 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)cc1O ZINC000569396779 822916537 /nfs/dbraw/zinc/91/65/37/822916537.db2.gz MLUYSJXHEMUUGD-KSSFIOAISA-N 1 0 394.437 4.345 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000054839120 822916935 /nfs/dbraw/zinc/91/69/35/822916935.db2.gz BXGZPIPEFFOBQG-OAHLLOKOSA-N 1 0 384.549 4.106 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1CCC(c2ccsc2)CC1 ZINC000186585127 822917727 /nfs/dbraw/zinc/91/77/27/822917727.db2.gz MBMGOBJIOORBMY-UHFFFAOYSA-N 1 0 383.561 4.433 20 0 GIADRO COc1ccc2c(c1F)CC[C@@H]2[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000569406442 822917780 /nfs/dbraw/zinc/91/77/80/822917780.db2.gz TWOLBHJUQBEZAH-AWEZNQCLSA-N 1 0 394.240 4.103 20 0 GIADRO COc1ccc(COc2ccc(-c3noc(-c4ccc5c[nH+]cn5c4)n3)cn2)cc1 ZINC000569408514 822918343 /nfs/dbraw/zinc/91/83/43/822918343.db2.gz PUKYOYPHFCIUOZ-UHFFFAOYSA-N 1 0 399.410 4.034 20 0 GIADRO Cc1nc(-c2cccc(NC(=O)NCC[N@@H+](C)Cc3ccc(F)cc3)c2)oc1C ZINC000175266145 822919218 /nfs/dbraw/zinc/91/92/18/822919218.db2.gz QEZSMFKJTAUNSZ-UHFFFAOYSA-N 1 0 396.466 4.351 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1csc(-c2ccoc2)n1 ZINC000175267946 822919779 /nfs/dbraw/zinc/91/97/79/822919779.db2.gz ZWQUPEUHPVWSBR-GOSISDBHSA-N 1 0 395.528 4.387 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)NCCCc1nccs1)c1ccccc1Cl ZINC000569417854 822920090 /nfs/dbraw/zinc/92/00/90/822920090.db2.gz CNYXJXMKCUYONJ-QGZVFWFLSA-N 1 0 394.972 4.111 20 0 GIADRO O=C(c1ccc(F)c(C(F)(F)F)c1)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000186594043 822920228 /nfs/dbraw/zinc/92/02/28/822920228.db2.gz YBSWIFCMSSAEJM-INIZCTEOSA-N 1 0 395.400 4.024 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@@H]1CCOc2ccccc21 ZINC000175271528 822920956 /nfs/dbraw/zinc/92/09/56/822920956.db2.gz UQDQRTORJIDZMR-VXKWHMMOSA-N 1 0 392.543 4.313 20 0 GIADRO CC(C)(C)C1CC(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)C1 ZINC000457808177 822921382 /nfs/dbraw/zinc/92/13/82/822921382.db2.gz CPVRMAAIIMOPDH-HRTMPFAESA-N 1 0 398.591 4.104 20 0 GIADRO C[C@H](C(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1)C1CCC1 ZINC000457808920 822921640 /nfs/dbraw/zinc/92/16/40/822921640.db2.gz NDYQILAIFDRXQR-HNNXBMFYSA-N 1 0 393.369 4.308 20 0 GIADRO CC(C)c1ccc(OC2CCN(C(=O)NCCCC[N@H+](C)C3CC3)CC2)cc1 ZINC000569430833 822921857 /nfs/dbraw/zinc/92/18/57/822921857.db2.gz WUEHDMARLJNWHH-UHFFFAOYSA-N 1 0 387.568 4.237 20 0 GIADRO O=C(Nc1ccncn1)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000569429524 822921921 /nfs/dbraw/zinc/92/19/21/822921921.db2.gz JLBHNGXGFURRLZ-OAQYLSRUSA-N 1 0 393.535 4.165 20 0 GIADRO Clc1cccc(C2(C[NH2+]Cc3cncc(Br)c3)CCOCC2)c1 ZINC000186603337 822922028 /nfs/dbraw/zinc/92/20/28/822922028.db2.gz XMHKZQKWMJONLW-UHFFFAOYSA-N 1 0 395.728 4.336 20 0 GIADRO C[C@H](C(=O)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1)c1ccc(Cl)s1 ZINC000186602876 822922058 /nfs/dbraw/zinc/92/20/58/822922058.db2.gz OLWROYRPIGREPQ-GOEBONIOSA-N 1 0 377.941 4.071 20 0 GIADRO Cc1cc2cc(C(=O)N(Cc3ccccn3)[C@@H]3CCC[NH2+]CC3)oc2cc1C ZINC000186602781 822922062 /nfs/dbraw/zinc/92/20/62/822922062.db2.gz DUMSIMVFKMRFIT-HXUWFJFHSA-N 1 0 377.488 4.229 20 0 GIADRO COc1cccc([C@@H](CNC(=O)N[C@@H](C)c2cc3ccccc3o2)[NH+](C)C)c1 ZINC000054921436 822922330 /nfs/dbraw/zinc/92/23/30/822922330.db2.gz UJDHXXZCDHCRQE-HNAYVOBHSA-N 1 0 381.476 4.105 20 0 GIADRO Cc1ccccc1Oc1ccc(C(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)nc1 ZINC000457819468 822922581 /nfs/dbraw/zinc/92/25/81/822922581.db2.gz SRBMCBDTFNVASV-KRWDZBQOSA-N 1 0 379.504 4.129 20 0 GIADRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)c1cc3cccnc3s1)c1ccccc1O2 ZINC000569435001 822922713 /nfs/dbraw/zinc/92/27/13/822922713.db2.gz ROVRVMUAXMRXDZ-KRWDZBQOSA-N 1 0 393.512 4.014 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1coc(-c2ccccc2)n1 ZINC000175279353 822922697 /nfs/dbraw/zinc/92/26/97/822922697.db2.gz XZEYKMMNJUDVOB-HXUWFJFHSA-N 1 0 389.499 4.326 20 0 GIADRO C[NH2+][C@H]1CCCN(C(=O)Nc2ccc(-c3ccc(Cl)cc3Cl)nc2)C1 ZINC000569437561 822923018 /nfs/dbraw/zinc/92/30/18/822923018.db2.gz INAJUHAWESQUST-AWEZNQCLSA-N 1 0 379.291 4.271 20 0 GIADRO Cc1cc2occ(CC(=O)N(Cc3ccccn3)[C@@H]3CCC[NH2+]CC3)c2cc1C ZINC000186612732 822923647 /nfs/dbraw/zinc/92/36/47/822923647.db2.gz XWVIBRZDXKNCOJ-OAQYLSRUSA-N 1 0 391.515 4.158 20 0 GIADRO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]Cc1ccc(C(C)(C)O)cc1 ZINC000186615780 822923881 /nfs/dbraw/zinc/92/38/81/822923881.db2.gz LQMHSWHQAUNCBL-AWEZNQCLSA-N 1 0 394.437 4.440 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(C(C)(C)O)cc2)cc1Cn1cccn1 ZINC000186616640 822924124 /nfs/dbraw/zinc/92/41/24/822924124.db2.gz IQMZTVMWGBFYNT-QGZVFWFLSA-N 1 0 379.504 4.018 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1sccc1OC(F)F ZINC000175284914 822924381 /nfs/dbraw/zinc/92/43/81/822924381.db2.gz WBEHUGOSYPIXSW-MRXNPFEDSA-N 1 0 394.487 4.334 20 0 GIADRO COc1ccc(CC[NH2+]CC2CCC(C(F)(F)F)CC2)c(OC)c1OC ZINC000186618512 822924402 /nfs/dbraw/zinc/92/44/02/822924402.db2.gz IMTUMWVBOUUFMW-UHFFFAOYSA-N 1 0 375.431 4.213 20 0 GIADRO C[C@H](NC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1nc2ccccc2[nH]1 ZINC000054950644 822924521 /nfs/dbraw/zinc/92/45/21/822924521.db2.gz KKMFWIUFEWSCQP-KRWDZBQOSA-N 1 0 391.519 4.109 20 0 GIADRO [NH3+][C@H]1CCC[C@H](CNC(=O)Cc2cccc(OCc3cccc(Cl)c3)c2)C1 ZINC000569449114 822924839 /nfs/dbraw/zinc/92/48/39/822924839.db2.gz OEWCZDUTBRUYLK-PXNSSMCTSA-N 1 0 386.923 4.095 20 0 GIADRO COc1ccccc1SC[C@H](C)C[NH2+]Cc1cncc(Br)c1 ZINC000186620464 822924935 /nfs/dbraw/zinc/92/49/35/822924935.db2.gz KQWHEBOUTQRUDL-CYBMUJFWSA-N 1 0 381.339 4.371 20 0 GIADRO CCOc1ccc(CN(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)C(C)C)cc1 ZINC000569454620 822925470 /nfs/dbraw/zinc/92/54/70/822925470.db2.gz XQNLKSBMOOWBRS-UHFFFAOYSA-N 1 0 385.483 4.313 20 0 GIADRO O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000569471240 822927016 /nfs/dbraw/zinc/92/70/16/822927016.db2.gz FHVKCSPMBPMJQZ-MJGOQNOKSA-N 1 0 394.412 4.458 20 0 GIADRO CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)c1 ZINC000569474017 822927462 /nfs/dbraw/zinc/92/74/62/822927462.db2.gz HXUWJCNZLNKGER-PPHZAIPVSA-N 1 0 386.561 4.399 20 0 GIADRO CCn1c(Cc2ccsc2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000569476785 822927632 /nfs/dbraw/zinc/92/76/32/822927632.db2.gz RHNGDUFDAPTTTF-MJGOQNOKSA-N 1 0 387.597 4.041 20 0 GIADRO CCn1ccnc1CN(Cc1cc2cc(C)c(C)cc2o1)[C@@H]1CC12CC[NH2+]CC2 ZINC000569485125 822928467 /nfs/dbraw/zinc/92/84/67/822928467.db2.gz HHPXJICLICSHKQ-JOCHJYFZSA-N 1 0 392.547 4.410 20 0 GIADRO C[C@H]1CCC[C@H]1CC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C(F)(F)F ZINC000186645235 822928809 /nfs/dbraw/zinc/92/88/09/822928809.db2.gz NQPNITHLJNLPMI-GJZGRUSLSA-N 1 0 383.458 4.222 20 0 GIADRO C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+]1C[C@H](c2cnn(C)c2)C(C)(C)C1 ZINC000569501238 822930492 /nfs/dbraw/zinc/93/04/92/822930492.db2.gz NCNSRBJFYNZKFE-KBXCAEBGSA-N 1 0 399.926 4.234 20 0 GIADRO CO[C@H](C)c1nc(C)c(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)s1 ZINC000175309994 822931545 /nfs/dbraw/zinc/93/15/45/822931545.db2.gz SNVJOHUIDZZMLY-MRXNPFEDSA-N 1 0 379.570 4.078 20 0 GIADRO O=C(Nc1ccc(O[C@H]2CCOC2)cc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000569510546 822932128 /nfs/dbraw/zinc/93/21/28/822932128.db2.gz HVBARKAUZMEJLC-QFIPXVFZSA-N 1 0 380.488 4.093 20 0 GIADRO Cc1cccc(CN(C)C(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)n1 ZINC000457906179 822932201 /nfs/dbraw/zinc/93/22/01/822932201.db2.gz AHCBGAHBRDRDHW-UHFFFAOYSA-N 1 0 394.563 4.496 20 0 GIADRO C[C@@H](CNC(=O)NC1(c2cccc(C(F)(F)F)c2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000569511498 822932311 /nfs/dbraw/zinc/93/23/11/822932311.db2.gz HYMRUIWWIJIOGE-CABCVRRESA-N 1 0 383.458 4.114 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(Oc2cccnc2)c(F)c1)c1ccc2c(c1)OCC(=O)N2 ZINC000569516599 822933224 /nfs/dbraw/zinc/93/32/24/822933224.db2.gz RGNUISVFOPPYJQ-CQSZACIVSA-N 1 0 393.418 4.195 20 0 GIADRO COc1cccc([C@@H](CNC(=O)N(C)[C@H](C)c2cccs2)[NH+]2CCCC2)c1 ZINC000055046253 822934216 /nfs/dbraw/zinc/93/42/16/822934216.db2.gz WAXWFVJIPJADJG-VQIMIIECSA-N 1 0 387.549 4.296 20 0 GIADRO Cc1nc(COc2ccc(C[NH2+]C[C@H]3CCCC[C@H]3C(F)(F)F)cc2)no1 ZINC000569524381 822934491 /nfs/dbraw/zinc/93/44/91/822934491.db2.gz AACLOMFYDHPLGP-NVXWUHKLSA-N 1 0 383.414 4.415 20 0 GIADRO Cc1ccc(CNC(=O)C2CC[NH+](Cc3ccccc3OC(F)F)CC2)cc1 ZINC000175323890 822935391 /nfs/dbraw/zinc/93/53/91/822935391.db2.gz SIYKZBDWKDQZBE-UHFFFAOYSA-N 1 0 388.458 4.125 20 0 GIADRO CCSc1cccc(Br)c1NC(=O)N(CC[NH+](C)C)C(C)C ZINC000569534693 822936034 /nfs/dbraw/zinc/93/60/34/822936034.db2.gz OZBOBGLCHAXJJU-UHFFFAOYSA-N 1 0 388.375 4.365 20 0 GIADRO Clc1ccccc1-c1csc(CN2CCC(C[NH+]3CCOCC3)CC2)n1 ZINC000186680928 822936255 /nfs/dbraw/zinc/93/62/55/822936255.db2.gz VSTASADRAMNGGT-UHFFFAOYSA-N 1 0 391.968 4.008 20 0 GIADRO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)CCC(=O)Nc1ccccc1F ZINC000055083167 822937048 /nfs/dbraw/zinc/93/70/48/822937048.db2.gz WOUSDABUEYBKEA-UHFFFAOYSA-N 1 0 394.494 4.397 20 0 GIADRO CCOc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1sc(CCOC)nc1C)CCO2 ZINC000186695176 822939058 /nfs/dbraw/zinc/93/90/58/822939058.db2.gz JVFZJHPRAWNSBV-GUYCJALGSA-N 1 0 376.522 4.214 20 0 GIADRO CCOc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1sc(CCOC)nc1C)CCO2 ZINC000186695197 822939155 /nfs/dbraw/zinc/93/91/55/822939155.db2.gz JVFZJHPRAWNSBV-CXAGYDPISA-N 1 0 376.522 4.214 20 0 GIADRO COc1ccc(OC)c(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2OC(C)C)c1 ZINC000055152066 822941158 /nfs/dbraw/zinc/94/11/58/822941158.db2.gz BIWRCBZPGNXPRQ-HZPDHXFCSA-N 1 0 386.492 4.169 20 0 GIADRO Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1 ZINC000186710145 822941872 /nfs/dbraw/zinc/94/18/72/822941872.db2.gz VNQYPMQEDYWNRT-DNVCBOLYSA-N 1 0 388.508 4.012 20 0 GIADRO CCOc1ccc(CCC(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2C)cc1 ZINC000055159467 822942736 /nfs/dbraw/zinc/94/27/36/822942736.db2.gz LEBGYEGAEYJIFE-UHFFFAOYSA-N 1 0 395.547 4.107 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)Nc2cccc(C(=O)c3ccccc3)c2)CC1 ZINC000175353697 822942915 /nfs/dbraw/zinc/94/29/15/822942915.db2.gz GEOWUVDGHKZBOR-UHFFFAOYSA-N 1 0 379.504 4.256 20 0 GIADRO CCSc1cc(CNC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)ccn1 ZINC000186717926 822943901 /nfs/dbraw/zinc/94/39/01/822943901.db2.gz ROTBSGXPAQBCNT-QGZVFWFLSA-N 1 0 398.576 4.218 20 0 GIADRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000569616069 822945230 /nfs/dbraw/zinc/94/52/30/822945230.db2.gz JIWCTWZFNQUHGI-RMVZNSSTSA-N 1 0 376.504 4.269 20 0 GIADRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000569616072 822945233 /nfs/dbraw/zinc/94/52/33/822945233.db2.gz JIWCTWZFNQUHGI-ZZNFJVAJSA-N 1 0 376.504 4.269 20 0 GIADRO COc1cc(C)c(NC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1F ZINC000186734297 822947101 /nfs/dbraw/zinc/94/71/01/822947101.db2.gz SAOPOZZPVZEGHT-HNNXBMFYSA-N 1 0 391.512 4.238 20 0 GIADRO COc1ccc(C[C@@H](C)[NH2+][C@@H](CO)c2cccc(Cl)c2F)c(C)c1OC ZINC000569635714 822948015 /nfs/dbraw/zinc/94/80/15/822948015.db2.gz FLTODFKBLQSLHT-PXAZEXFGSA-N 1 0 381.875 4.059 20 0 GIADRO CCc1nc(CC(=O)NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)cs1 ZINC000055260454 822948663 /nfs/dbraw/zinc/94/86/63/822948663.db2.gz SDCWCCGHWRHVEQ-CALCHBBNSA-N 1 0 385.577 4.042 20 0 GIADRO CC(=O)N(c1nc(CN(C)CC[N@H+](C)C2CC2)cs1)c1ccc(Cl)cc1 ZINC000186746220 822949096 /nfs/dbraw/zinc/94/90/96/822949096.db2.gz XCPWSIXRVOSBKG-UHFFFAOYSA-N 1 0 392.956 4.007 20 0 GIADRO CCOc1ccc(CCC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000055286598 822949512 /nfs/dbraw/zinc/94/95/12/822949512.db2.gz CYJJNNWOAWIHAM-UHFFFAOYSA-N 1 0 380.532 4.107 20 0 GIADRO O=C(Nc1cccc(Oc2ccncc2)c1)NC1CC[NH+](C2CCCC2)CC1 ZINC000175372029 822949689 /nfs/dbraw/zinc/94/96/89/822949689.db2.gz SWKILCRUPSPHLK-UHFFFAOYSA-N 1 0 380.492 4.402 20 0 GIADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1sc2ccccc2c1Br ZINC000569652501 822950424 /nfs/dbraw/zinc/95/04/24/822950424.db2.gz AANTTYHLHLENSP-GFCCVEGCSA-N 1 0 381.339 4.268 20 0 GIADRO CCn1nccc1C1CC[NH+](CCC(=O)Nc2cccc3ccccc32)CC1 ZINC000569657356 822951238 /nfs/dbraw/zinc/95/12/38/822951238.db2.gz YYQMXTKDXQWMIS-UHFFFAOYSA-N 1 0 376.504 4.264 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)Nc2cccc(OCc3cccc(F)c3)c2)CC[N@@H+]1C ZINC000175377875 822951524 /nfs/dbraw/zinc/95/15/24/822951524.db2.gz VJYUOBDYNUOUJF-JXFKEZNVSA-N 1 0 385.483 4.351 20 0 GIADRO CN(CC[N@H+](C)C1CC1)C(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1 ZINC000186766199 822951695 /nfs/dbraw/zinc/95/16/95/822951695.db2.gz ALDSFDPGDXWXDR-UHFFFAOYSA-N 1 0 394.544 4.021 20 0 GIADRO COC(=O)N1CCC([C@H](C)[NH2+][C@@H](C)c2sc(-c3cccnc3)nc2C)CC1 ZINC000186766087 822951787 /nfs/dbraw/zinc/95/17/87/822951787.db2.gz VGNKNEOGVXALPH-KBPBESRZSA-N 1 0 388.537 4.031 20 0 GIADRO Cc1nc2ccccc2n1C1CC[NH+](CCCn2c3ccccc3[nH]c2=O)CC1 ZINC000569660639 822951786 /nfs/dbraw/zinc/95/17/86/822951786.db2.gz OXWAAKOKBAPOAB-UHFFFAOYSA-N 1 0 389.503 4.127 20 0 GIADRO COC(=O)N1CCC([C@H](C)[NH2+][C@@H](C)CCc2ccc(OC(F)F)cc2)CC1 ZINC000186768235 822951971 /nfs/dbraw/zinc/95/19/71/822951971.db2.gz BPLDWZNDINWNFY-GJZGRUSLSA-N 1 0 384.467 4.066 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)Nc2cccc(C[S@](=O)C(C)(C)C)c2)CC1 ZINC000175379811 822952508 /nfs/dbraw/zinc/95/25/08/822952508.db2.gz VRHMRUULXCSSPD-MHZLTWQESA-N 1 0 393.597 4.072 20 0 GIADRO C[C@H](CNC(=O)c1ccc2c[nH+]cn2c1)Sc1ccc(Br)cc1 ZINC000569675282 822953877 /nfs/dbraw/zinc/95/38/77/822953877.db2.gz BWXRGYYLJOJPOH-GFCCVEGCSA-N 1 0 390.306 4.007 20 0 GIADRO [NH3+][C@@H](CNC(=O)N1CCCC[C@H]1c1nc2cc(Cl)ccc2[nH]1)c1ccccc1 ZINC000569677406 822954006 /nfs/dbraw/zinc/95/40/06/822954006.db2.gz JCKXVUKEPKCGPH-LPHOPBHVSA-N 1 0 397.910 4.153 20 0 GIADRO CCOc1cc(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)cc(Cl)c1O ZINC000186778725 822954215 /nfs/dbraw/zinc/95/42/15/822954215.db2.gz DYVHYPWYZKPIFC-MRXNPFEDSA-N 1 0 394.943 4.173 20 0 GIADRO CN(CC[N@H+](C)C1CC1)C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1 ZINC000186780717 822954486 /nfs/dbraw/zinc/95/44/86/822954486.db2.gz SESFBQMWPHWHEH-UHFFFAOYSA-N 1 0 384.332 4.283 20 0 GIADRO COC(=O)c1cc(C[NH2+][C@H](C)c2ccc(-c3ccccc3OC)cc2)cn1C ZINC000569681207 822954973 /nfs/dbraw/zinc/95/49/73/822954973.db2.gz ULVYVWHAPMRLGX-MRXNPFEDSA-N 1 0 378.472 4.338 20 0 GIADRO Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+]C2CCC(O)CC2)c1 ZINC000055371427 822955343 /nfs/dbraw/zinc/95/53/43/822955343.db2.gz CKBZDDPTJLZYLD-UHFFFAOYSA-N 1 0 379.479 4.380 20 0 GIADRO C[N@@H+]1CC[C@H](NCc2csc(COc3ccc(F)cc3)n2)[C@@H]1c1ccccc1 ZINC000569699331 822956430 /nfs/dbraw/zinc/95/64/30/822956430.db2.gz CUSYQZCOCZELLN-UNMCSNQZSA-N 1 0 397.519 4.396 20 0 GIADRO Cc1csc([C@H](NC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C2CC2)n1 ZINC000175391784 822956604 /nfs/dbraw/zinc/95/66/04/822956604.db2.gz KHWXOQCWUAUYRJ-HXUWFJFHSA-N 1 0 398.576 4.175 20 0 GIADRO CC[C@@H](C(=O)Nc1ccc(NC[C@H]2CCCO2)c(F)c1)[N@H+](C)Cc1ccccc1 ZINC000569703305 822956885 /nfs/dbraw/zinc/95/68/85/822956885.db2.gz SEBVKZGFAXWSHL-KNQAVFIVSA-N 1 0 399.510 4.266 20 0 GIADRO CC[C@@H](NC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1ccncc1 ZINC000175398649 822958988 /nfs/dbraw/zinc/95/89/88/822958988.db2.gz LLLRGLUSOYJWIL-PGRDOPGGSA-N 1 0 380.536 4.264 20 0 GIADRO C[C@H]1C[C@H](NC(=O)NCc2ccc(Cl)s2)CC[N@@H+]1Cc1ccccc1 ZINC000175400161 822959411 /nfs/dbraw/zinc/95/94/11/822959411.db2.gz YHILXZUDWDRJJB-GOEBONIOSA-N 1 0 377.941 4.254 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1cc(COC(C)(C)C)on1)CC3 ZINC000186815404 822959924 /nfs/dbraw/zinc/95/99/24/822959924.db2.gz PSXJDPJOZPCSNE-AWEZNQCLSA-N 1 0 383.492 4.127 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccccc2CNc2ccc(S(C)(=O)=O)cc2F)C1 ZINC000569730955 822960069 /nfs/dbraw/zinc/96/00/69/822960069.db2.gz MUJUYLVHBRQEML-INIZCTEOSA-N 1 0 390.524 4.073 20 0 GIADRO COc1ccc(C[N@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)cc1Br ZINC000175403532 822960542 /nfs/dbraw/zinc/96/05/42/822960542.db2.gz TWDWGTSJABSGBU-ZLOXQWCVSA-N 1 0 396.350 4.388 20 0 GIADRO COc1ccc2c(c1F)CC[C@H]2[NH2+]Cc1c(C)nn(Cc2ccccc2)c1C ZINC000569735237 822960669 /nfs/dbraw/zinc/96/06/69/822960669.db2.gz PPDJWPWZDFFNOF-OAQYLSRUSA-N 1 0 379.479 4.473 20 0 GIADRO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CCC(=O)Nc1ccc(Cl)cc1F ZINC000175421022 822964477 /nfs/dbraw/zinc/96/44/77/822964477.db2.gz FHWATEATDPGAGP-NRRJATNASA-N 1 0 396.915 4.238 20 0 GIADRO C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1CCSC2(CCOCC2)C1 ZINC000186839803 822965024 /nfs/dbraw/zinc/96/50/24/822965024.db2.gz IPZCXPNBZOFGBW-ZDUSSCGKSA-N 1 0 379.913 4.049 20 0 GIADRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@H](c1ccccc1)C(F)(F)F ZINC000186840296 822965289 /nfs/dbraw/zinc/96/52/89/822965289.db2.gz RUNUYZMTRNQJIJ-GXTWGEPZSA-N 1 0 385.817 4.388 20 0 GIADRO Cc1nc(CSc2ccccc2C(=O)NCC[C@H]2CCC[N@@H+](C)C2)cs1 ZINC000458177862 822965569 /nfs/dbraw/zinc/96/55/69/822965569.db2.gz VYSWDEVXAACOTN-MRXNPFEDSA-N 1 0 389.590 4.206 20 0 GIADRO C[C@]12CCC[N@@H+]1C[C@@H](c1noc(-c3cccc(OC4CCCCC4)c3)n1)OC2 ZINC000569766696 822965802 /nfs/dbraw/zinc/96/58/02/822965802.db2.gz JPETYPRKJWLHMK-SIKLNZKXSA-N 1 0 383.492 4.374 20 0 GIADRO COc1cc(C[N@@H+]2CCC=C(c3ccncc3)C2)cc(OC)c1OCC(F)F ZINC000569768287 822966058 /nfs/dbraw/zinc/96/60/58/822966058.db2.gz AEWHCMTXGRQDJD-UHFFFAOYSA-N 1 0 390.430 4.032 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2csc(-c3ncccn3)n2)cc1 ZINC000055459054 822966234 /nfs/dbraw/zinc/96/62/34/822966234.db2.gz PACTYJLGIHKRQO-OAHLLOKOSA-N 1 0 393.516 4.227 20 0 GIADRO O=C(NC1CCC(C(F)F)CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000458184636 822966218 /nfs/dbraw/zinc/96/62/18/822966218.db2.gz TVYDSNXKFLCFLM-JCYILVPMSA-N 1 0 386.433 4.084 20 0 GIADRO C[NH+](C)[C@@H]1CCOc2c(NCc3ccc(Oc4cnccn4)cc3)cccc21 ZINC000569772123 822966777 /nfs/dbraw/zinc/96/67/77/822966777.db2.gz QMJCPCWIWLKZDX-HXUWFJFHSA-N 1 0 376.460 4.266 20 0 GIADRO COc1cc(C)c(NC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1F ZINC000186847344 822966939 /nfs/dbraw/zinc/96/69/39/822966939.db2.gz AWKVSFWGXZZTKG-QGZVFWFLSA-N 1 0 377.504 4.263 20 0 GIADRO COC[C@@H]([NH2+]Cc1cc(C)nc(N2CCCC2)c1)c1cccc(C(F)(F)F)c1 ZINC000569773829 822967123 /nfs/dbraw/zinc/96/71/23/822967123.db2.gz YSCGCZLPHWLNMW-LJQANCHMSA-N 1 0 393.453 4.486 20 0 GIADRO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1)C1CCSCC1 ZINC000458193880 822967224 /nfs/dbraw/zinc/96/72/24/822967224.db2.gz MHZWGIIKZCHEAQ-FCHUYYIVSA-N 1 0 398.547 4.053 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000186852515 822967856 /nfs/dbraw/zinc/96/78/56/822967856.db2.gz NVXGTMGYOOBVLC-HXUWFJFHSA-N 1 0 399.498 4.180 20 0 GIADRO O=C(c1ccccc1)C1CC[NH+](C[C@H](O)CO[C@H]2CCCc3ccccc32)CC1 ZINC000055471814 822967840 /nfs/dbraw/zinc/96/78/40/822967840.db2.gz FWTBVCDIUMLNLK-UPVQGACJSA-N 1 0 393.527 4.036 20 0 GIADRO CC(C)n1cc(Br)cc1C(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000458204948 822968549 /nfs/dbraw/zinc/96/85/49/822968549.db2.gz QXZAQZQQHAPTTO-UHFFFAOYSA-N 1 0 398.370 4.097 20 0 GIADRO CC(C)[C@]1(CO)CCC[N@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000569788307 822969265 /nfs/dbraw/zinc/96/92/65/822969265.db2.gz SKCCBOKHPSRFEY-HSZRJFAPSA-N 1 0 382.552 4.291 20 0 GIADRO C[C@H](Oc1ccccc1NC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1)C(F)(F)F ZINC000569792076 822969708 /nfs/dbraw/zinc/96/97/08/822969708.db2.gz WEQASQXUGZWXLE-ZOBUZTSGSA-N 1 0 399.457 4.402 20 0 GIADRO Cc1sc(CC(=O)Nc2ccc(OCC[NH+](C)C)c(C)c2)nc1C(C)C ZINC000458217309 822969940 /nfs/dbraw/zinc/96/99/40/822969940.db2.gz QCABJQSGQZPZSG-UHFFFAOYSA-N 1 0 375.538 4.005 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]CCCCCS(C)(=O)=O ZINC000186861723 822970265 /nfs/dbraw/zinc/97/02/65/822970265.db2.gz MOJDGTRBGWZPNH-ZDUSSCGKSA-N 1 0 384.542 4.123 20 0 GIADRO CC(C)(C)c1ncc(C[NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)cn1 ZINC000569796143 822970218 /nfs/dbraw/zinc/97/02/18/822970218.db2.gz WSELHJUPCRRPPE-UHFFFAOYSA-N 1 0 386.971 4.429 20 0 GIADRO COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]Cc2ccc(CN3CCCC3=O)cc2)cc1 ZINC000569796162 822970264 /nfs/dbraw/zinc/97/02/64/822970264.db2.gz XNFHCNJICOOCBJ-NLSFWIRASA-N 1 0 378.516 4.099 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)c2c(F)ccc(F)c2F)CC[N@@H+]1Cc1ccccc1 ZINC000186869190 822971402 /nfs/dbraw/zinc/97/14/02/822971402.db2.gz NZQLODQNDJXTMC-GOEBONIOSA-N 1 0 376.422 4.229 20 0 GIADRO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+][C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1 ZINC000569805046 822971452 /nfs/dbraw/zinc/97/14/52/822971452.db2.gz XIGPQTWNOUKVDO-QWFCFKBJSA-N 1 0 393.886 4.037 20 0 GIADRO C[N@@H+]1CCC[C@H](CCNC(=O)[C@H]2CCCO[C@H]2c2ccc(Cl)cc2Cl)C1 ZINC000458237665 822972352 /nfs/dbraw/zinc/97/23/52/822972352.db2.gz ZIKKTMSNTZWELK-LJHODMEESA-N 1 0 399.362 4.309 20 0 GIADRO C[C@@H]([NH2+]C[C@H](C1CC1)N(C)Cc1ccccc1)c1cccc(N2CCOC2=O)c1 ZINC000186876783 822972939 /nfs/dbraw/zinc/97/29/39/822972939.db2.gz WUSDHPIZGRHXKQ-WZONZLPQSA-N 1 0 393.531 4.204 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]C[C@H](C2CC2)N(C)Cc2ccccc2)cc1NC(C)=O ZINC000186880845 822973924 /nfs/dbraw/zinc/97/39/24/822973924.db2.gz ZYCPXEADCKHSNI-UZUQRXQVSA-N 1 0 395.547 4.215 20 0 GIADRO CN(Cc1ccc2c(c1)CCC(=O)N2C)Cc1cc(Br)ccc1F ZINC000186884310 822974355 /nfs/dbraw/zinc/97/43/55/822974355.db2.gz BPUIHRDDXMJUQH-UHFFFAOYSA-N 1 0 391.284 4.129 20 0 GIADRO COc1ccc(C(=O)CCC(=O)Nc2ccc(C[NH+](C)C)c(C)c2)c(Cl)c1 ZINC000458261299 822975067 /nfs/dbraw/zinc/97/50/67/822975067.db2.gz IYQCAPBHERVFKB-UHFFFAOYSA-N 1 0 388.895 4.320 20 0 GIADRO Cc1cc(NC(=O)c2cn(C)nc2-c2ccc(Cl)s2)ccc1C[NH+](C)C ZINC000458266039 822975451 /nfs/dbraw/zinc/97/54/51/822975451.db2.gz OFMKKACCSCTDSN-UHFFFAOYSA-N 1 0 388.924 4.424 20 0 GIADRO COc1cc(C[NH2+][C@H]2CCC[C@@H](SC)C2)cc(OC)c1OCC(F)F ZINC000569847052 822975632 /nfs/dbraw/zinc/97/56/32/822975632.db2.gz VLGLJUOQZQABQO-UONOGXRCSA-N 1 0 375.481 4.112 20 0 GIADRO O=C(Nc1ccccc1)c1cccc(-c2nc(-c3ccn4c[nH+]cc4c3)no2)c1 ZINC000569854627 822976347 /nfs/dbraw/zinc/97/63/47/822976347.db2.gz PFHVKHILHRKOGU-UHFFFAOYSA-N 1 0 381.395 4.304 20 0 GIADRO Cc1cc(NC(=O)CCCc2nc(-c3ccc(F)cc3)no2)ccc1C[NH+](C)C ZINC000458280586 822977572 /nfs/dbraw/zinc/97/75/72/822977572.db2.gz KOEVYCHEKGKQNE-UHFFFAOYSA-N 1 0 396.466 4.207 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1ccc(Br)o1 ZINC000055552985 822977597 /nfs/dbraw/zinc/97/75/97/822977597.db2.gz OKQWFZHLINDGPF-UHFFFAOYSA-N 1 0 381.270 4.015 20 0 GIADRO COc1cc(C[N@H+](Cc2cccc(O)c2)[C@H]2CC[C@H](O)CC2)ccc1SC ZINC000569861603 822977647 /nfs/dbraw/zinc/97/76/47/822977647.db2.gz AILHRAGGPXEVNY-WGSAOQKQSA-N 1 0 387.545 4.428 20 0 GIADRO C[C@H](NC(=O)CC(C)(C)C)c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000186907673 822978021 /nfs/dbraw/zinc/97/80/21/822978021.db2.gz KGCBWDJAUWMKLZ-INIZCTEOSA-N 1 0 384.524 4.336 20 0 GIADRO CC[C@H](NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1nc(-c2ccccc2)c[nH]1 ZINC000569865060 822978030 /nfs/dbraw/zinc/97/80/30/822978030.db2.gz TXXFWBUPSOCXBS-SFTDATJTSA-N 1 0 388.515 4.166 20 0 GIADRO O=C(N1CCC(C[NH+]2CCCC2)CC1)C1(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000186909945 822978328 /nfs/dbraw/zinc/97/83/28/822978328.db2.gz PIQSJCKDPLOJOD-UHFFFAOYSA-N 1 0 394.481 4.363 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)[C@@H]2CC=CCC2)CC1 ZINC000569868175 822978641 /nfs/dbraw/zinc/97/86/41/822978641.db2.gz BBFWAGARZBRBMA-MRXNPFEDSA-N 1 0 391.353 4.228 20 0 GIADRO C[C@H](NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)C(C)(C)c1ccccc1 ZINC000458289148 822978865 /nfs/dbraw/zinc/97/88/65/822978865.db2.gz KFTHLDHEFLEMMU-INIZCTEOSA-N 1 0 399.501 4.411 20 0 GIADRO COc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@H](c2ccccc2)C2CC2)cc1 ZINC000569872085 822978883 /nfs/dbraw/zinc/97/88/83/822978883.db2.gz BFPWPUFNUFWXQG-DHIUTWEWSA-N 1 0 376.504 4.202 20 0 GIADRO Cc1cc(NC(=O)C2CCC(NC(=O)CC3CCCC3)CC2)ccc1C[NH+](C)C ZINC000458296467 822980015 /nfs/dbraw/zinc/98/00/15/822980015.db2.gz XUMVSGCYIVPINA-UHFFFAOYSA-N 1 0 399.579 4.250 20 0 GIADRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1c(C)onc1-c1c(Cl)cccc1OC ZINC000569885870 822980394 /nfs/dbraw/zinc/98/03/94/822980394.db2.gz OYUQMABFVJNSED-ZDUSSCGKSA-N 1 0 393.915 4.162 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[N@@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000186921938 822980669 /nfs/dbraw/zinc/98/06/69/822980669.db2.gz VMOUPLWOQLEGTG-KRWDZBQOSA-N 1 0 397.519 4.104 20 0 GIADRO CC(C)[C@@H](CNC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1)c1cccnc1 ZINC000175485847 822980896 /nfs/dbraw/zinc/98/08/96/822980896.db2.gz QUMQYEGXJPPGRZ-NZQKXSOJSA-N 1 0 394.563 4.127 20 0 GIADRO O=C(Nc1cccc(Cl)c1F)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000569891827 822981461 /nfs/dbraw/zinc/98/14/61/822981461.db2.gz QUUXPTPAXVPVIB-IRXDYDNUSA-N 1 0 387.886 4.465 20 0 GIADRO CC[C@H](NC(=O)NC[C@H](c1ccc(SC)cc1)[NH+](C)C)c1nc(C)cs1 ZINC000458308489 822981476 /nfs/dbraw/zinc/98/14/76/822981476.db2.gz IJRFMAMIEJYYKM-DLBZAZTESA-N 1 0 392.594 4.227 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)CCc1ncc(C(C)(C)C)o1)c1ccsc1 ZINC000186928638 822982059 /nfs/dbraw/zinc/98/20/59/822982059.db2.gz BWTWQRZBYCBWGG-INIZCTEOSA-N 1 0 377.554 4.166 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1F ZINC000458325919 822983609 /nfs/dbraw/zinc/98/36/09/822983609.db2.gz UMZYSJVUOXNILU-OLZOCXBDSA-N 1 0 376.394 4.073 20 0 GIADRO COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000569909107 822984596 /nfs/dbraw/zinc/98/45/96/822984596.db2.gz NVQJWIMZSHXGTP-RDJZCZTQSA-N 1 0 399.466 4.151 20 0 GIADRO Cc1c([C@H]2OCC[C@@H]2[NH2+]Cc2ccc(Oc3ccc(F)cc3)cc2)cnn1C ZINC000569916068 822985475 /nfs/dbraw/zinc/98/54/75/822985475.db2.gz VBMCBPSGTFEWCL-FCHUYYIVSA-N 1 0 381.451 4.280 20 0 GIADRO CC[C@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1nc(C)cs1 ZINC000175509024 822986503 /nfs/dbraw/zinc/98/65/03/822986503.db2.gz SNKWUESQLCHCGK-NEWSRXKRSA-N 1 0 386.565 4.255 20 0 GIADRO CC[C@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccccc1OC(F)F ZINC000175509013 822986511 /nfs/dbraw/zinc/98/65/11/822986511.db2.gz HAFDJPJXIAPGOL-BTFYYFJDSA-N 1 0 381.467 4.054 20 0 GIADRO C[C@@H](CCc1ccccc1)NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000175509709 822986876 /nfs/dbraw/zinc/98/68/76/822986876.db2.gz JTUJDSKTZOGXEZ-FQEVSTJZSA-N 1 0 379.548 4.314 20 0 GIADRO CCS[C@H]1CCC[C@H](NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000175515465 822988525 /nfs/dbraw/zinc/98/85/25/822988525.db2.gz QXPAIASEMJTJCG-PMACEKPBSA-N 1 0 375.582 4.015 20 0 GIADRO COc1ccc([C@@H]([NH2+]CC(=O)N(C)c2nc3ccccc3s2)C2CC2)cc1 ZINC000175518518 822989411 /nfs/dbraw/zinc/98/94/11/822989411.db2.gz GDWYRUGLSWJUHV-FQEVSTJZSA-N 1 0 381.501 4.009 20 0 GIADRO CCCOc1ccccc1Oc1ncccc1CNC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000569966292 822990634 /nfs/dbraw/zinc/99/06/34/822990634.db2.gz QPSAEPKNUJFTKQ-PKOBYXMFSA-N 1 0 397.519 4.187 20 0 GIADRO CCc1nc(C)c([C@H](C)N(C)C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)s1 ZINC000175529599 822991740 /nfs/dbraw/zinc/99/17/40/822991740.db2.gz XWYQGWJNEAKQGF-RDJZCZTQSA-N 1 0 380.602 4.228 20 0 GIADRO O=C(Cc1ccccc1)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000175531334 822991925 /nfs/dbraw/zinc/99/19/25/822991925.db2.gz YEUMPQWMQGVSAL-FQEVSTJZSA-N 1 0 390.449 4.142 20 0 GIADRO Cc1nc([C@H]2CCCN2C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)cs1 ZINC000186982083 822991944 /nfs/dbraw/zinc/99/19/44/822991944.db2.gz OTCKJAYVAGJSRQ-OXQOHEQNSA-N 1 0 386.565 4.209 20 0 GIADRO COc1cccc([C@@H](CNC(=O)Nc2cccc(C(C)(F)F)c2)[NH+](C)C)c1 ZINC000186982022 822991950 /nfs/dbraw/zinc/99/19/50/822991950.db2.gz YLDFXFUXQKYOER-GOSISDBHSA-N 1 0 377.435 4.231 20 0 GIADRO CCc1nc(C)c([C@H](C)N(C)C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)s1 ZINC000175535428 822992831 /nfs/dbraw/zinc/99/28/31/822992831.db2.gz BCWOTIUDHFADNX-BQFCYCMXSA-N 1 0 394.629 4.474 20 0 GIADRO C[C@@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccc(Br)cc1 ZINC000175536559 822993011 /nfs/dbraw/zinc/99/30/11/822993011.db2.gz IYGMZZYGIVUJEH-CQSZACIVSA-N 1 0 394.357 4.216 20 0 GIADRO O[C@@H](C[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1)c1ccc(F)cc1Cl ZINC000187007853 822996441 /nfs/dbraw/zinc/99/64/41/822996441.db2.gz SYHYBIYSFXYMQQ-VQTJNVASSA-N 1 0 381.850 4.097 20 0 GIADRO C[NH+](C)[C@H]1CCOc2c(NC(=O)c3cccc([C@@H]4CCCOC4)c3)cccc21 ZINC000570018626 822997650 /nfs/dbraw/zinc/99/76/50/822997650.db2.gz FIQRKUBJMOJVSO-NQIIRXRSSA-N 1 0 380.488 4.218 20 0 GIADRO Cc1ccc(NC(=O)CN[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c(Cl)c1 ZINC000570046366 823000451 /nfs/dbraw/zinc/00/04/51/823000451.db2.gz XSKRSZWAWYSKDP-IBGZPJMESA-N 1 0 397.950 4.374 20 0 GIADRO Cc1cnc([C@@H](NC(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)C2CC2)s1 ZINC000175580217 823001687 /nfs/dbraw/zinc/00/16/87/823001687.db2.gz SWDCOIUPWGVOLB-KXBFYZLASA-N 1 0 386.565 4.112 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@H](C)c1cccc(-n2ccnn2)c1 ZINC000570069160 823002870 /nfs/dbraw/zinc/00/28/70/823002870.db2.gz RQVHGTARIFBSKI-OLZOCXBDSA-N 1 0 392.429 4.055 20 0 GIADRO COCc1ccc(CNC(=O)C[NH2+][C@H](C)c2ccc(F)c3ccccc32)cc1 ZINC000570076654 823003799 /nfs/dbraw/zinc/00/37/99/823003799.db2.gz CRSNVEGZQRQQEH-MRXNPFEDSA-N 1 0 380.463 4.092 20 0 GIADRO C[C@H]([NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1)C1CCSCC1 ZINC000187057199 823004831 /nfs/dbraw/zinc/00/48/31/823004831.db2.gz YQYUVLJZBJTPKJ-LSDHHAIUSA-N 1 0 383.399 4.397 20 0 GIADRO O=C(c1ccc(Oc2ccc(F)cc2F)cc1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000570088597 823004957 /nfs/dbraw/zinc/00/49/57/823004957.db2.gz HLNUMGITMWJQCK-IRXDYDNUSA-N 1 0 386.442 4.219 20 0 GIADRO COc1cccc([C@@H]2[C@H]([NH2+][C@@H](C)c3ccc(OC)c(O)c3)CCN2C2CC2)c1 ZINC000570090645 823004963 /nfs/dbraw/zinc/00/49/63/823004963.db2.gz VGOOTKHRNIPTDP-UYGSHGSRSA-N 1 0 382.504 4.038 20 0 GIADRO Cc1cc(NC(=O)[C@@H]2C[C@H]2C2CCC2)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000570098174 823005738 /nfs/dbraw/zinc/00/57/38/823005738.db2.gz OUPGDYJDKNRCBP-QHAWAJNXSA-N 1 0 378.520 4.013 20 0 GIADRO CC(C)OCC[NH+]1CCC(NC(=O)Nc2ccc(OC3CCCC3)cc2)CC1 ZINC000175613456 823006726 /nfs/dbraw/zinc/00/67/26/823006726.db2.gz QFAMBXCVVDRXOV-UHFFFAOYSA-N 1 0 389.540 4.019 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)[C@H]1CC[C@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1 ZINC000570113462 823006892 /nfs/dbraw/zinc/00/68/92/823006892.db2.gz NRXVTSDMXQUJSI-AEGPPILISA-N 1 0 396.375 4.403 20 0 GIADRO O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)[C@@H]1CCc2cccc(O)c21 ZINC000570115857 823007004 /nfs/dbraw/zinc/00/70/04/823007004.db2.gz VVUZHJOHKOPDIW-RTBURBONSA-N 1 0 384.907 4.029 20 0 GIADRO Fc1cccc(Oc2ccc(C[NH2+]C3CCN(c4cccnn4)CC3)cc2)c1 ZINC000570122319 823007590 /nfs/dbraw/zinc/00/75/90/823007590.db2.gz RGSBDYUKJXUOAU-UHFFFAOYSA-N 1 0 378.451 4.167 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)cc1OCC ZINC000187097493 823010309 /nfs/dbraw/zinc/01/03/09/823010309.db2.gz OQHFUPNUWXFUSZ-MRXNPFEDSA-N 1 0 382.504 4.244 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N1CCC(OCC2CCCC2)CC1 ZINC000175638237 823010928 /nfs/dbraw/zinc/01/09/28/823010928.db2.gz MDIQKKZHNFZBBX-UHFFFAOYSA-N 1 0 399.579 4.163 20 0 GIADRO O=C(C[C@H]1CCCN(c2cc[nH+]c3ccccc32)C1)NCc1ccc(F)cc1 ZINC000570157256 823011224 /nfs/dbraw/zinc/01/12/24/823011224.db2.gz AGICWUMFXRQPLO-GOSISDBHSA-N 1 0 377.463 4.297 20 0 GIADRO COc1cc(CN(C)C(=O)C[C@H]2CCCC[C@@H]2[NH3+])ccc1OCc1ccccc1 ZINC000570158072 823011278 /nfs/dbraw/zinc/01/12/78/823011278.db2.gz MOJKEDLBBKBCDL-RTWAWAEBSA-N 1 0 396.531 4.140 20 0 GIADRO COc1ncc([C@H](C)[NH2+]Cc2cc(Cl)ccc2N2CCOCC2)cc1Cl ZINC000570170741 823012096 /nfs/dbraw/zinc/01/20/96/823012096.db2.gz WZEIJHXUGJLQKG-ZDUSSCGKSA-N 1 0 396.318 4.084 20 0 GIADRO CCN(Cc1cccc(F)c1)C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000570183109 823012974 /nfs/dbraw/zinc/01/29/74/823012974.db2.gz XMJAOPCBGIYPPU-UHFFFAOYSA-N 1 0 399.510 4.030 20 0 GIADRO CC[NH+](CC)CC(=O)Nc1cccc(N[C@@H]2CCCc3ccc(OC)cc32)c1 ZINC000570187487 823013436 /nfs/dbraw/zinc/01/34/36/823013436.db2.gz TVCOYGRRDXYWHZ-JOCHJYFZSA-N 1 0 381.520 4.465 20 0 GIADRO COc1c(Br)cccc1C[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000187119726 823013577 /nfs/dbraw/zinc/01/35/77/823013577.db2.gz PMPUURQWPBYKFS-HNNXBMFYSA-N 1 0 375.310 4.074 20 0 GIADRO Cc1cc2c(cc1C)[C@@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)CCS2 ZINC000187125513 823014345 /nfs/dbraw/zinc/01/43/45/823014345.db2.gz WTPNQRMIOBSMAU-IBGZPJMESA-N 1 0 375.559 4.175 20 0 GIADRO CC1(C)OCc2cc(C[NH2+][C@@H](c3ccc4c(c3)OCCO4)C3CC3)ccc2O1 ZINC000187131428 823015404 /nfs/dbraw/zinc/01/54/04/823015404.db2.gz YCWQGEJFBXKGGU-JOCHJYFZSA-N 1 0 381.472 4.344 20 0 GIADRO CC(C)c1ccc([C@H](C)CC(=O)NC2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000175667087 823016146 /nfs/dbraw/zinc/01/61/46/823016146.db2.gz ZANQSNHFKKAETI-LJQANCHMSA-N 1 0 379.548 4.479 20 0 GIADRO COc1ccc2sc(C(=O)NC3CC[NH+](Cc4cccnc4)CC3)c(C)c2c1 ZINC000175667270 823016275 /nfs/dbraw/zinc/01/62/75/823016275.db2.gz UZLWAVXTMJTBQA-UHFFFAOYSA-N 1 0 395.528 4.008 20 0 GIADRO C[C@@H](CCc1ccc(O)cc1)NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000175671218 823016998 /nfs/dbraw/zinc/01/69/98/823016998.db2.gz XFPBPXTWGCFZHC-IBGZPJMESA-N 1 0 395.547 4.019 20 0 GIADRO C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]Cc1coc2ccccc12 ZINC000570230570 823017202 /nfs/dbraw/zinc/01/72/02/823017202.db2.gz RYRRWXCMVHHLKD-HNNXBMFYSA-N 1 0 391.471 4.288 20 0 GIADRO C[C@H](CCc1ccc(O)cc1)NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000175671242 823017189 /nfs/dbraw/zinc/01/71/89/823017189.db2.gz XFPBPXTWGCFZHC-LJQANCHMSA-N 1 0 395.547 4.019 20 0 GIADRO Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000175672828 823017275 /nfs/dbraw/zinc/01/72/75/823017275.db2.gz ZENBBEYJCYCABR-LJQANCHMSA-N 1 0 394.563 4.241 20 0 GIADRO C[NH+](C)C[C@@H](NC(=O)c1cc(Cl)ccc1Br)c1ccc(F)cc1 ZINC000570238779 823017759 /nfs/dbraw/zinc/01/77/59/823017759.db2.gz XVHRJLFJAIDPEP-MRXNPFEDSA-N 1 0 399.691 4.274 20 0 GIADRO OC[C@@H]1C[N@H+](Cc2ccc(-n3cnc4ccccc43)cc2)CC[C@H]1C(F)(F)F ZINC000570247656 823018995 /nfs/dbraw/zinc/01/89/95/823018995.db2.gz HWQHEOXKWFGXLU-FUHWJXTLSA-N 1 0 389.421 4.018 20 0 GIADRO O=C1[C@@H]([NH2+]C2CC(c3cc(F)cc(F)c3)C2)CCN1c1ccccc1Cl ZINC000570248833 823019178 /nfs/dbraw/zinc/01/91/78/823019178.db2.gz WNZCCBQBPMYDDW-AUCFXJAVSA-N 1 0 376.834 4.259 20 0 GIADRO C[C@@H](NC(=O)CCc1ncc(-c2ccccc2F)o1)[C@H](c1ccccc1)[NH+](C)C ZINC000187167756 823020074 /nfs/dbraw/zinc/02/00/74/823020074.db2.gz GTJKJSPYFFNVMC-WAIKUNEKSA-N 1 0 395.478 4.221 20 0 GIADRO COc1cnccc1[C@H](C)NC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000187174480 823020767 /nfs/dbraw/zinc/02/07/67/823020767.db2.gz RUYIZADUTAQFKB-MSOLQXFVSA-N 1 0 396.535 4.114 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cccc(COCCc3ccccc3)c2)CC[N@@H+]1C ZINC000175690053 823021033 /nfs/dbraw/zinc/02/10/33/823021033.db2.gz QNPAPYSPYONXQR-XXBNENTESA-N 1 0 395.547 4.392 20 0 GIADRO Cc1cc(C(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)ccc1NC(=O)CC(C)C ZINC000187176868 823021121 /nfs/dbraw/zinc/02/11/21/823021121.db2.gz MIYPFGXUWJOIHA-MBSDFSHPSA-N 1 0 395.547 4.401 20 0 GIADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CCc1csc(C(C)C)n1 ZINC000187186883 823022444 /nfs/dbraw/zinc/02/24/44/823022444.db2.gz AYFXGSHWFSFIIB-UHFFFAOYSA-N 1 0 386.970 4.046 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)CC1 ZINC000175700309 823023243 /nfs/dbraw/zinc/02/32/43/823023243.db2.gz GMQIRCPUFPPWJL-VQTJNVASSA-N 1 0 384.470 4.191 20 0 GIADRO Cc1cc(F)cc2[nH]c(C(=O)N(Cc3ccccc3)C3CC[NH+](C)CC3)cc21 ZINC000175703506 823023658 /nfs/dbraw/zinc/02/36/58/823023658.db2.gz UFXSQVNVVUPNCC-UHFFFAOYSA-N 1 0 379.479 4.352 20 0 GIADRO COc1ccc(C[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)cc1OC1CCCC1 ZINC000187197891 823023760 /nfs/dbraw/zinc/02/37/60/823023760.db2.gz OHBIIJCSIHJZCX-UHFFFAOYSA-N 1 0 394.515 4.215 20 0 GIADRO COc1ccc([C@H](C)[NH2+]Cc2ccc(C[S@@](C)=O)cc2)c(Br)c1 ZINC000570302243 823023817 /nfs/dbraw/zinc/02/38/17/823023817.db2.gz XHKGHIHVRFEETC-ZAMGYDSWSA-N 1 0 396.350 4.187 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1cc2ccccc2o1 ZINC000175704741 823024057 /nfs/dbraw/zinc/02/40/57/823024057.db2.gz NPCZVMXQYQROIY-IBGZPJMESA-N 1 0 377.488 4.096 20 0 GIADRO COc1ccccc1SC[C@H](C)C[NH2+]Cc1ccc2c(c1)CCC(=O)N2C ZINC000187201926 823024303 /nfs/dbraw/zinc/02/43/03/823024303.db2.gz IVTQWPUTIYTPEM-MRXNPFEDSA-N 1 0 384.545 4.122 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)NCc2cc3ccccc3o2)[C@@H]1c1cccs1 ZINC000175705545 823024300 /nfs/dbraw/zinc/02/43/00/823024300.db2.gz GVKBVNRHCXXOLU-OXQOHEQNSA-N 1 0 383.517 4.377 20 0 GIADRO CCC[N@H+](CC)CCNC(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1C ZINC000175714046 823025774 /nfs/dbraw/zinc/02/57/74/823025774.db2.gz HOLCIENTXMIQGP-UHFFFAOYSA-N 1 0 382.508 4.101 20 0 GIADRO CC(C)Oc1cccc([C@@H](O)C[NH2+][C@H](C)c2ncc(Br)cc2F)c1 ZINC000187217627 823026405 /nfs/dbraw/zinc/02/64/05/823026405.db2.gz JWYMLOWUHISZIC-PXAZEXFGSA-N 1 0 397.288 4.155 20 0 GIADRO Cc1ccc(Br)c(C(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000187218351 823026547 /nfs/dbraw/zinc/02/65/47/823026547.db2.gz HXECHXDIRLSRAZ-RDTXWAMCSA-N 1 0 375.310 4.179 20 0 GIADRO Cc1oc(-c2ccccc2)nc1CC(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000187221836 823026827 /nfs/dbraw/zinc/02/68/27/823026827.db2.gz FCINZDJFDJLASJ-OPAMFIHVSA-N 1 0 377.488 4.000 20 0 GIADRO CC(C)Sc1c(Cl)cccc1NC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000175723041 823027100 /nfs/dbraw/zinc/02/71/00/823027100.db2.gz WRFFWOBQZPQIBQ-UHFFFAOYSA-N 1 0 397.972 4.169 20 0 GIADRO CC(=O)Nc1cc(NC(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)ccc1C ZINC000175724970 823027397 /nfs/dbraw/zinc/02/73/97/823027397.db2.gz HYJYUHIYCALDLC-OAQYLSRUSA-N 1 0 394.519 4.082 20 0 GIADRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)C1(Cc3ccccc3)CC1)c1ccccc1O2 ZINC000175724723 823027477 /nfs/dbraw/zinc/02/74/77/823027477.db2.gz IFTWTRHHSNEODT-NRFANRHFSA-N 1 0 390.527 4.114 20 0 GIADRO COc1ccc(Cl)cc1[C@@H](CC(C)C)[NH2+][C@@H](C)C1CCS(=O)(=O)CC1 ZINC000187228237 823027791 /nfs/dbraw/zinc/02/77/91/823027791.db2.gz STWXXRUWZYICFI-KBXCAEBGSA-N 1 0 387.973 4.239 20 0 GIADRO Cc1oc(-c2ccsc2)nc1CC(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000187229935 823027949 /nfs/dbraw/zinc/02/79/49/823027949.db2.gz SAJRTHINBKSROQ-VLIAUNLRSA-N 1 0 383.517 4.062 20 0 GIADRO CC(C)OCC[NH+]1CCC(NC(=O)Nc2ccc(OC(C)C)cc2Cl)CC1 ZINC000187230404 823028115 /nfs/dbraw/zinc/02/81/15/823028115.db2.gz TWRCQTVGYRTVNC-UHFFFAOYSA-N 1 0 397.947 4.138 20 0 GIADRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)Nc1cccc(-c2nccc(C)n2)c1)c1ccco1 ZINC000570354580 823028437 /nfs/dbraw/zinc/02/84/37/823028437.db2.gz UWAVJIRBAHGUAN-BEFAXECRSA-N 1 0 393.491 4.296 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N(C[C@H]1CCCO1)C1CCCC1 ZINC000175732746 823028677 /nfs/dbraw/zinc/02/86/77/823028677.db2.gz XLGSKXFQGWKIHT-JOCHJYFZSA-N 1 0 387.568 4.160 20 0 GIADRO COc1c(Br)cccc1C[NH2+]C[C@@H](O)c1ccc(OC(C)C)cc1 ZINC000187246458 823030002 /nfs/dbraw/zinc/03/00/02/823030002.db2.gz WDHNOVVLRXASCJ-GOSISDBHSA-N 1 0 394.309 4.068 20 0 GIADRO C[C@@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)c1nc(C(C)(C)C)cs1 ZINC000175743560 823030614 /nfs/dbraw/zinc/03/06/14/823030614.db2.gz YNVKIKIPNQNEQL-CQSZACIVSA-N 1 0 378.586 4.208 20 0 GIADRO C[C@@H](NC(=O)c1cccc(-c2noc(C3CC3)n2)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000187258623 823031945 /nfs/dbraw/zinc/03/19/45/823031945.db2.gz JHRLQRJALQAORV-FOIQADDNSA-N 1 0 390.487 4.035 20 0 GIADRO Clc1ccccc1[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@H]12)c1ccc2c(c1)OCCO2 ZINC000187259620 823032055 /nfs/dbraw/zinc/03/20/55/823032055.db2.gz VSIIVJOXDOJSQN-QWJIHBKKSA-N 1 0 385.891 4.358 20 0 GIADRO C[C@H](NC(=O)Cc1csc(-c2cccs2)n1)[C@H](c1ccccc1)[NH+](C)C ZINC000187267976 823033525 /nfs/dbraw/zinc/03/35/25/823033525.db2.gz FQVOHQWUPXBIRE-IFXJQAMLSA-N 1 0 385.558 4.222 20 0 GIADRO COC(=O)[C@@H](Cc1ccccc1)[C@H](C)[NH2+]Cc1nc(-c2ccccc2)oc1C ZINC000570405422 823033626 /nfs/dbraw/zinc/03/36/26/823033626.db2.gz WPBFIGXUYXTLLV-JXFKEZNVSA-N 1 0 378.472 4.160 20 0 GIADRO Cc1cccc(Oc2ncccc2NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1C ZINC000570406555 823033946 /nfs/dbraw/zinc/03/39/46/823033946.db2.gz ZQETZWIXDKBRAZ-AYHJJNSGSA-N 1 0 380.492 4.237 20 0 GIADRO C[C@H](CC[NH2+][C@@H](C)C1CCS(=O)(=O)CC1)c1cccc(C(F)(F)F)c1 ZINC000187271059 823034137 /nfs/dbraw/zinc/03/41/37/823034137.db2.gz FOHYNWCBZQREMM-KGLIPLIRSA-N 1 0 377.472 4.002 20 0 GIADRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)c3cnccc3C(F)(F)F)cc2)C1 ZINC000570408658 823034157 /nfs/dbraw/zinc/03/41/57/823034157.db2.gz GSNJEZFGAFJXKA-CQSZACIVSA-N 1 0 393.409 4.073 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH2+]C[C@@H](C)Oc1ccccc1OC ZINC000187270455 823034217 /nfs/dbraw/zinc/03/42/17/823034217.db2.gz RVKYHZSDWGOZLI-QGZVFWFLSA-N 1 0 378.472 4.323 20 0 GIADRO CCC(CC)(CNC(=O)N1CC[C@@H](O)CC(C)(C)C1)[NH2+][C@H](C)c1ccccc1 ZINC000458377170 823034378 /nfs/dbraw/zinc/03/43/78/823034378.db2.gz QXRZQGIRPVUKPV-UYAOXDASSA-N 1 0 389.584 4.089 20 0 GIADRO COc1cc(-c2noc([C@@H]3CC[N@H+](Cc4ccccc4)C3)n2)cc(Cl)c1OC ZINC000570409904 823034415 /nfs/dbraw/zinc/03/44/15/823034415.db2.gz LAWFHLPKISTYHN-OAHLLOKOSA-N 1 0 399.878 4.397 20 0 GIADRO C[C@@H](NC1CC[NH+](C2CCCCC2)CC1)c1ncc(Br)cc1F ZINC000187274551 823035098 /nfs/dbraw/zinc/03/50/98/823035098.db2.gz OJGOVMPPXGQUOL-CYBMUJFWSA-N 1 0 384.337 4.431 20 0 GIADRO CN(C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458385118 823035213 /nfs/dbraw/zinc/03/52/13/823035213.db2.gz MGIWYUDCCPGRKE-RTBURBONSA-N 1 0 397.485 4.381 20 0 GIADRO CCc1cc(N2CCC([NH2+][C@H]3CCSc4cc(C)c(C)cc43)CC2)ncn1 ZINC000187277297 823035624 /nfs/dbraw/zinc/03/56/24/823035624.db2.gz SWUOSCPLWLEPLJ-FQEVSTJZSA-N 1 0 382.577 4.451 20 0 GIADRO COc1ccccc1Oc1ccc(CNC(=O)NCC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000458388912 823035701 /nfs/dbraw/zinc/03/57/01/823035701.db2.gz YMLKQHUSRIOBJM-IBGZPJMESA-N 1 0 397.519 4.019 20 0 GIADRO CCS[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(Cl)c2S(=O)(=O)CC)C1 ZINC000187280602 823036077 /nfs/dbraw/zinc/03/60/77/823036077.db2.gz COHAVLYGGXMFCX-HUUCEWRRSA-N 1 0 375.987 4.288 20 0 GIADRO CC(C)CC[NH+]1CCC(CNC(=O)N(Cc2ccco2)Cc2ccco2)CC1 ZINC000175771436 823036610 /nfs/dbraw/zinc/03/66/10/823036610.db2.gz GKMNKELJBZEMIX-UHFFFAOYSA-N 1 0 387.524 4.343 20 0 GIADRO CN1CC[C@@H]([NH2+]Cc2ccc(Br)s2)[C@H]1c1ccc(F)c(F)c1 ZINC000570430197 823036952 /nfs/dbraw/zinc/03/69/52/823036952.db2.gz RDDKOFYHHXXMCS-GDBMZVCRSA-N 1 0 387.293 4.324 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1cc(C(C)(C)C)nn1C)c1ccc(F)c2ccccc21 ZINC000570431109 823037194 /nfs/dbraw/zinc/03/71/94/823037194.db2.gz UTKMHFFXNOUQKT-CQSZACIVSA-N 1 0 382.483 4.299 20 0 GIADRO C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1c1ccccc1)c1nnc(-c2ccccc2F)s1 ZINC000570437916 823038285 /nfs/dbraw/zinc/03/82/85/823038285.db2.gz HYEOQRJPNLPWIU-ZOCIIQOWSA-N 1 0 382.508 4.440 20 0 GIADRO COc1ccccc1-c1ccc([C@H](C)NC(=O)NCC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000458420699 823038439 /nfs/dbraw/zinc/03/84/39/823038439.db2.gz ATUOOZSGWBHWGS-RBUKOAKNSA-N 1 0 395.547 4.454 20 0 GIADRO CSCC1CCC(NC(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1 ZINC000458431388 823039341 /nfs/dbraw/zinc/03/93/41/823039341.db2.gz OIMICWCAGQSPCP-FLAMNCDFSA-N 1 0 395.638 4.352 20 0 GIADRO CSCC1CCC(NC(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1 ZINC000458431366 823039450 /nfs/dbraw/zinc/03/94/50/823039450.db2.gz OIMICWCAGQSPCP-AFNJWWOFSA-N 1 0 395.638 4.352 20 0 GIADRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccsc1)c1ncc(-c2ccccc2)o1 ZINC000458432545 823039538 /nfs/dbraw/zinc/03/95/38/823039538.db2.gz RGRGXAAWHSJRPM-MRXNPFEDSA-N 1 0 398.532 4.238 20 0 GIADRO Cc1ccc(C[NH2+][C@@H](C)C2CCS(=O)(=O)CC2)c(O[C@@H](C)CC(C)C)c1 ZINC000187301252 823039662 /nfs/dbraw/zinc/03/96/62/823039662.db2.gz LETWUAVMOWWENO-ROUUACIJSA-N 1 0 381.582 4.111 20 0 GIADRO C[C@@H]([NH2+][C@H](c1cccc(F)c1)c1cccc(Cl)c1)C1CCS(=O)(=O)CC1 ZINC000187301713 823039835 /nfs/dbraw/zinc/03/98/35/823039835.db2.gz MTDBRBXHPQADSA-VLIAUNLRSA-N 1 0 395.927 4.371 20 0 GIADRO CSc1ccc([C@H](C[NH2+]CC2(O)CCC2)N2CCc3sccc3C2)cc1 ZINC000570447727 823039852 /nfs/dbraw/zinc/03/98/52/823039852.db2.gz MOFRLHTVRMVHNT-IBGZPJMESA-N 1 0 388.602 4.074 20 0 GIADRO CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccsc1)c1cc(F)ccc1F ZINC000458439944 823040564 /nfs/dbraw/zinc/04/05/64/823040564.db2.gz GRHGOXFLELPJLH-GOSISDBHSA-N 1 0 381.492 4.251 20 0 GIADRO Cc1ccccc1CCN(C)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000458440105 823040816 /nfs/dbraw/zinc/04/08/16/823040816.db2.gz USMKYCXGMCFWFO-PZJWPPBQSA-N 1 0 385.577 4.324 20 0 GIADRO Cc1cc(NC(=O)N(C)[C@@H](C)c2ccccc2Cl)n(C2CC[NH+](C)CC2)n1 ZINC000570464861 823041395 /nfs/dbraw/zinc/04/13/95/823041395.db2.gz WRVABEKCZISQOR-HNNXBMFYSA-N 1 0 389.931 4.337 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)N[C@]2(C)C[C@H]2c2ccccc2)[C@H]1c1cccs1 ZINC000458445326 823041438 /nfs/dbraw/zinc/04/14/38/823041438.db2.gz YKMQLFUTHPPMID-RJOZEALSSA-N 1 0 383.561 4.376 20 0 GIADRO CCc1ccc([C@@H](CNC(=O)c2c(F)cccc2Br)[NH+](C)C)cc1 ZINC000175796110 823042232 /nfs/dbraw/zinc/04/22/32/823042232.db2.gz VYHYCPQDFJSZLU-QGZVFWFLSA-N 1 0 393.300 4.183 20 0 GIADRO CC(C)c1nn(C)c(Cl)c1C(=O)N[C@@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000187316223 823042435 /nfs/dbraw/zinc/04/24/35/823042435.db2.gz AHDVPYVFKHTTHO-KRWDZBQOSA-N 1 0 390.959 4.083 20 0 GIADRO C[C@@H](NC(=O)Nc1ccc(-c2cc[nH]n2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000570473554 823042791 /nfs/dbraw/zinc/04/27/91/823042791.db2.gz YCVOFULUMMXKML-YLJYHZDGSA-N 1 0 389.503 4.109 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)c2c[nH]nc2-c2ccsc2)[C@@H]1c1cccs1 ZINC000187321830 823043222 /nfs/dbraw/zinc/04/32/22/823043222.db2.gz LLKFKLGFVRLHIN-FZKQIMNGSA-N 1 0 386.546 4.013 20 0 GIADRO CO[C@H](C)c1nc(C)c(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)s1 ZINC000175800547 823043589 /nfs/dbraw/zinc/04/35/89/823043589.db2.gz MDVMIMJAKGWGRX-MRXNPFEDSA-N 1 0 387.549 4.075 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(N3CCc4sccc4C3)cc2)CC[N@@H+]1C ZINC000175802699 823043994 /nfs/dbraw/zinc/04/39/94/823043994.db2.gz DGCAIROLAUZWSQ-JXFKEZNVSA-N 1 0 398.576 4.257 20 0 GIADRO CCN(c1ccccc1)c1ccc(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000458468039 823044065 /nfs/dbraw/zinc/04/40/65/823044065.db2.gz WDGLQSIQYSNJDK-VKGMXUHCSA-N 1 0 392.547 4.269 20 0 GIADRO Cc1cccc(Oc2cc(CNC(=O)NCCCC[N@@H+](C)C3CC3)ccn2)c1C ZINC000458473536 823044723 /nfs/dbraw/zinc/04/47/23/823044723.db2.gz PDSQRCXBRSQNEU-UHFFFAOYSA-N 1 0 396.535 4.164 20 0 GIADRO CCc1ccc(C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)c(C)n1 ZINC000411075903 823541851 /nfs/dbraw/zinc/54/18/51/823541851.db2.gz PLHMZOCXNDJPRP-UHFFFAOYSA-N 1 0 387.911 4.331 20 0 GIADRO COc1ccc(C[N@H+](C)CC2(O)CCCCCC2)cc1OCc1cccnc1 ZINC000190138821 823542076 /nfs/dbraw/zinc/54/20/76/823542076.db2.gz HLJXHJWLZFIALB-UHFFFAOYSA-N 1 0 384.520 4.186 20 0 GIADRO Nc1ccc(F)c(NC(=O)CC[N@@H+]2CCCCC[C@H]2C[C@@H](O)c2ccccc2)c1 ZINC000123815752 823542700 /nfs/dbraw/zinc/54/27/00/823542700.db2.gz IRHGEVKSSWWUOI-SIKLNZKXSA-N 1 0 399.510 4.105 20 0 GIADRO CC(C)(CNC(=O)N1CCC([NH+]2CCCCC2)CC1)c1cccc(Cl)c1 ZINC000060575979 823543966 /nfs/dbraw/zinc/54/39/66/823543966.db2.gz CDWJQSWBQASVCC-UHFFFAOYSA-N 1 0 377.960 4.278 20 0 GIADRO Cc1cc(C[N@@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)c2ccccc2n1 ZINC000123834990 823544207 /nfs/dbraw/zinc/54/42/07/823544207.db2.gz KYVWFXPPBHNCJV-UHFFFAOYSA-N 1 0 377.463 4.030 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)c2ccc(COc3ccc(F)cc3)o2)CC1 ZINC000060579881 823544434 /nfs/dbraw/zinc/54/44/34/823544434.db2.gz NZWXEKUKJNUNDI-UHFFFAOYSA-N 1 0 388.483 4.190 20 0 GIADRO O=C(Nc1cccc(OC(F)(F)F)c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000060581153 823544569 /nfs/dbraw/zinc/54/45/69/823544569.db2.gz FOETUZVMEJFPNB-MRXNPFEDSA-N 1 0 378.394 4.436 20 0 GIADRO Brc1ccc2c(c1)OCCC[C@@H]2[NH2+]Cc1cccnc1-n1cccn1 ZINC000177906715 823544542 /nfs/dbraw/zinc/54/45/42/823544542.db2.gz VLAQBUQOMOBXRU-KRWDZBQOSA-N 1 0 399.292 4.033 20 0 GIADRO CC(=O)Nc1cccc2c1CC[N@H+](CCCC(=O)Nc1c(C)cccc1C)C2 ZINC000177909467 823544911 /nfs/dbraw/zinc/54/49/11/823544911.db2.gz RBFRCCVZDFYYLM-UHFFFAOYSA-N 1 0 379.504 4.039 20 0 GIADRO CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000190167175 823545288 /nfs/dbraw/zinc/54/52/88/823545288.db2.gz JVLKASQRLQQTTR-KRWDZBQOSA-N 1 0 386.565 4.389 20 0 GIADRO CCN(CCC[NH+]1CCCC1)C(=O)N[C@H](C)c1nc(-c2ccccc2)cs1 ZINC000190167198 823545295 /nfs/dbraw/zinc/54/52/95/823545295.db2.gz JVLKASQRLQQTTR-QGZVFWFLSA-N 1 0 386.565 4.389 20 0 GIADRO Cc1cscc1NC(=O)NCCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000123849722 823545390 /nfs/dbraw/zinc/54/53/90/823545390.db2.gz GLYIREYAZLMEIW-UHFFFAOYSA-N 1 0 386.565 4.089 20 0 GIADRO C[C@H]([NH2+]CCCC(=O)Nc1ccc(Cl)cc1)c1ccc([S@@](C)=O)cc1 ZINC000177911186 823545472 /nfs/dbraw/zinc/54/54/72/823545472.db2.gz QNSOPBPTSDILDW-HWRSSNJWSA-N 1 0 378.925 4.147 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCN(C(=O)C3CCCCC3)C2)cc1 ZINC000123854868 823546018 /nfs/dbraw/zinc/54/60/18/823546018.db2.gz NZRUBRNBMJVPAQ-LAUBAEHRSA-N 1 0 380.536 4.013 20 0 GIADRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)[C@@H]1CCSc2ccccc21 ZINC000460936898 823546385 /nfs/dbraw/zinc/54/63/85/823546385.db2.gz ZXUFMMBHKLYGPD-LJQANCHMSA-N 1 0 386.586 4.356 20 0 GIADRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+][C@@H]3CCSc4ccccc43)cc2)C[C@@H](C)O1 ZINC000177920907 823546466 /nfs/dbraw/zinc/54/64/66/823546466.db2.gz FAQWLSOWFRTVJG-CBGDNZLLSA-N 1 0 396.556 4.263 20 0 GIADRO CCc1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)s1 ZINC000177923911 823546883 /nfs/dbraw/zinc/54/68/83/823546883.db2.gz CCIMTUWAFCHWEO-IXDOHACOSA-N 1 0 386.561 4.411 20 0 GIADRO CCc1nc(C)c(C(=O)N(CCC[NH+]2CCCC2)c2ccc(Cl)cc2)o1 ZINC000411104386 823546882 /nfs/dbraw/zinc/54/68/82/823546882.db2.gz SXNYVJLRMGNSMC-UHFFFAOYSA-N 1 0 375.900 4.332 20 0 GIADRO C[C@@H]1CC(=O)CC[C@@H]1C(=O)N(CCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000411105886 823547207 /nfs/dbraw/zinc/54/72/07/823547207.db2.gz YUNPUQGNDDNOGC-UZLBHIALSA-N 1 0 376.928 4.164 20 0 GIADRO O=C(NCCC[NH2+]C1CCCCC1)N[C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000060602812 823547234 /nfs/dbraw/zinc/54/72/34/823547234.db2.gz JQJUFEZIKQHDFT-IBGZPJMESA-N 1 0 395.494 4.277 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1sc(Cl)nc1C ZINC000177930610 823547455 /nfs/dbraw/zinc/54/74/55/823547455.db2.gz DTSNOVBYZIYLHD-INIZCTEOSA-N 1 0 377.941 4.089 20 0 GIADRO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1cc(F)cc(Br)c1 ZINC000060614775 823548167 /nfs/dbraw/zinc/54/81/67/823548167.db2.gz QTCLCKFLWSQMEH-UHFFFAOYSA-N 1 0 377.257 4.436 20 0 GIADRO C[C@@H]([NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccc2c(c1)OCCCO2 ZINC000177938086 823548466 /nfs/dbraw/zinc/54/84/66/823548466.db2.gz UHCKFMGCCWUVEV-IQMFZBJNSA-N 1 0 381.472 4.421 20 0 GIADRO C[C@@H]1C[C@@H](CCNC(=O)N2CC3(CCC3)[C@@H]2C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000460948014 823548528 /nfs/dbraw/zinc/54/85/28/823548528.db2.gz IJPCKVOGTRAWBB-UZKOGDIHSA-N 1 0 381.564 4.261 20 0 GIADRO O[C@H](C[C@H]1CCCCC[N@@H+]1Cc1ccc(-n2ccnc2)nc1)c1ccccc1 ZINC000123879595 823548879 /nfs/dbraw/zinc/54/88/79/823548879.db2.gz FGXGEFCLZKQFFJ-FGZHOGPDSA-N 1 0 376.504 4.136 20 0 GIADRO CC1CC[NH+]([C@H](CNC(=O)N(C)Cc2ccccc2F)c2ccccc2)CC1 ZINC000060630890 823549357 /nfs/dbraw/zinc/54/93/57/823549357.db2.gz MMXHMWWABSWIHL-JOCHJYFZSA-N 1 0 383.511 4.440 20 0 GIADRO CN(Cc1cccc(Cl)c1Cl)C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000411128123 823550291 /nfs/dbraw/zinc/55/02/91/823550291.db2.gz DSTCLUDUDOBYTG-HNNXBMFYSA-N 1 0 387.376 4.169 20 0 GIADRO C[C@H]([NH2+]C[C@@H]1Cc2ccccc2O1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000123904849 823550549 /nfs/dbraw/zinc/55/05/49/823550549.db2.gz VQJSMMRGALFWBB-LPHOPBHVSA-N 1 0 385.529 4.057 20 0 GIADRO Cc1cc(C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)ccc1NC(=O)CC(C)C ZINC000460963062 823551521 /nfs/dbraw/zinc/55/15/21/823551521.db2.gz NRXCHIWRPDVGPU-GAJHUEQPSA-N 1 0 387.568 4.220 20 0 GIADRO O=C(C[C@H](c1ccc(O)cc1)C1CC1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000411155913 823552478 /nfs/dbraw/zinc/55/24/78/823552478.db2.gz IMTPUYOSQASOKM-XZOQPEGZSA-N 1 0 378.516 4.229 20 0 GIADRO CCN(Cc1cccc(C[NH+]2CCCCC2)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000411155674 823552555 /nfs/dbraw/zinc/55/25/55/823552555.db2.gz IKVBFYAHTBPVBS-UHFFFAOYSA-N 1 0 390.531 4.343 20 0 GIADRO Fc1cc(Br)ccc1C[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000123950482 823554552 /nfs/dbraw/zinc/55/45/52/823554552.db2.gz JMPKDUODYVAZPQ-UHFFFAOYSA-N 1 0 392.297 4.439 20 0 GIADRO C[C@@H](CNC(=O)C1(c2cccc(C(F)(F)F)c2)CCC1)C[NH+]1CCCCC1 ZINC000460979874 823554894 /nfs/dbraw/zinc/55/48/94/823554894.db2.gz CMQKCBQWORTNHL-INIZCTEOSA-N 1 0 382.470 4.365 20 0 GIADRO COc1cc(C[NH2+]CCc2nc(-c3ccccn3)cs2)ccc1OC(F)F ZINC000123965015 823556153 /nfs/dbraw/zinc/55/61/53/823556153.db2.gz ZCLOKTXCRZQWLO-UHFFFAOYSA-N 1 0 391.443 4.147 20 0 GIADRO CCCOc1cc(C[NH2+]CCc2nc(-c3ccccn3)cs2)ccc1OC ZINC000123970979 823556698 /nfs/dbraw/zinc/55/66/98/823556698.db2.gz RQJBBSIAWFWOSR-UHFFFAOYSA-N 1 0 383.517 4.335 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000123977832 823557420 /nfs/dbraw/zinc/55/74/20/823557420.db2.gz BIZGNIUJMRGYRQ-UHFFFAOYSA-N 1 0 389.528 4.340 20 0 GIADRO CC[C@H](C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(F)cc1 ZINC000461003567 823557887 /nfs/dbraw/zinc/55/78/87/823557887.db2.gz FJPBSSQQGROFBT-QFIPXVFZSA-N 1 0 384.495 4.110 20 0 GIADRO Cc1nc(CC(C)C)oc1C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000190275037 823558540 /nfs/dbraw/zinc/55/85/40/823558540.db2.gz KAEDVOLUSYSCJD-UHFFFAOYSA-N 1 0 383.536 4.166 20 0 GIADRO 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 ZINC000461011158 823558554 /nfs/dbraw/zinc/55/85/54/823558554.db2.gz ZZQAFTRZOPCTJD-UIBBOPPKSA-N 1 0 390.396 4.106 20 0 GIADRO Cc1ccc(-c2nnc(N3C[C@H]([NH+]4CCCC4)C[C@@H]3C)n2Cc2cccs2)o1 ZINC000461013310 823559107 /nfs/dbraw/zinc/55/91/07/823559107.db2.gz FJHRZBLHJFPBPI-DOTOQJQBSA-N 1 0 397.548 4.019 20 0 GIADRO COc1ccc(CC[NH2+]Cc2cc(Br)ccc2OC(F)F)cc1 ZINC000060814972 823559334 /nfs/dbraw/zinc/55/93/34/823559334.db2.gz QFBDGGDNACTEKA-UHFFFAOYSA-N 1 0 386.236 4.391 20 0 GIADRO O=C(C[NH2+]Cc1c(OC(F)F)ccc2ccccc21)Nc1ccc(F)c(F)c1 ZINC000060818691 823559706 /nfs/dbraw/zinc/55/97/06/823559706.db2.gz CVYVFGVESJWSES-UHFFFAOYSA-N 1 0 392.352 4.448 20 0 GIADRO O=C(Nc1nc(CN2CCCCC2)cs1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000411245460 823560089 /nfs/dbraw/zinc/56/00/89/823560089.db2.gz WMCTVDNKWIHEEL-UHFFFAOYSA-N 1 0 398.576 4.367 20 0 GIADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N1CCC(c2ccc(O)cc2)CC1 ZINC000124016271 823560199 /nfs/dbraw/zinc/56/01/99/823560199.db2.gz OCESCWKDSFZVQV-HXUWFJFHSA-N 1 0 399.560 4.180 20 0 GIADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2ccc3ccccc3c2)c1 ZINC000060826630 823560392 /nfs/dbraw/zinc/56/03/92/823560392.db2.gz LJADGUUPRIUCOO-UHFFFAOYSA-N 1 0 389.499 4.164 20 0 GIADRO Cc1ccc([C@H](CNC(=S)Nc2ccc(F)cc2F)[NH+]2CCCC2)cc1 ZINC000060827118 823560405 /nfs/dbraw/zinc/56/04/05/823560405.db2.gz DTAYIBKBYSBXSW-IBGZPJMESA-N 1 0 375.488 4.397 20 0 GIADRO COc1ccccc1[C@@H](C[NH2+]Cc1ccccc1Br)N1CCCC1 ZINC000060832234 823560987 /nfs/dbraw/zinc/56/09/87/823560987.db2.gz JTRJHVMRFRDCHE-LJQANCHMSA-N 1 0 389.337 4.384 20 0 GIADRO COc1ccc([C@@H]([NH2+]C[C@H]2CC=CCC2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000124035699 823561640 /nfs/dbraw/zinc/56/16/40/823561640.db2.gz BDFLSADLERPNKC-HTAPYJJXSA-N 1 0 385.529 4.134 20 0 GIADRO Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N[C@H](C)C[N@H+](C)C(C)C)c12 ZINC000461027318 823561642 /nfs/dbraw/zinc/56/16/42/823561642.db2.gz LVBSLSIUXURZLZ-OAHLLOKOSA-N 1 0 387.572 4.077 20 0 GIADRO CC(C)c1c(C(=O)N[C@H](C)C[N@H+](C)C(C)C)cnn1-c1cccc(Cl)c1 ZINC000461033995 823562701 /nfs/dbraw/zinc/56/27/01/823562701.db2.gz PATCNNZRDPEXFC-OAHLLOKOSA-N 1 0 376.932 4.108 20 0 GIADRO CN(Cc1nc2ccc(Cl)cc2c(=O)[nH]1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000411295670 823562816 /nfs/dbraw/zinc/56/28/16/823562816.db2.gz DZIBUFPJPIHXCQ-SFHVURJKSA-N 1 0 396.922 4.085 20 0 GIADRO Fc1ccc(-n2ccc(C[NH2+][C@H](C[C@H]3CCOC3)c3ccccc3)n2)c(F)c1 ZINC000190325896 823563038 /nfs/dbraw/zinc/56/30/38/823563038.db2.gz DQJOUYVTOAORKI-IIBYNOLFSA-N 1 0 383.442 4.408 20 0 GIADRO Cc1ccc(Oc2ccccc2)c(NC(=O)N2CC[NH+](C3CCOCC3)CC2)c1 ZINC000124054546 823563693 /nfs/dbraw/zinc/56/36/93/823563693.db2.gz YOYKHMIVQHKKSF-UHFFFAOYSA-N 1 0 395.503 4.116 20 0 GIADRO CC(C)n1ncc2c1nc(-c1cccs1)cc2C(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000461039111 823563759 /nfs/dbraw/zinc/56/37/59/823563759.db2.gz UCKSOXWSMMWGDV-OAHLLOKOSA-N 1 0 399.564 4.199 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)C2CC[NH+](Cc3ccc([C@@H]4C[C@@H]4C)o3)CC2)c1 ZINC000124055646 823563747 /nfs/dbraw/zinc/56/37/47/823563747.db2.gz YHBISCSLXVYQIQ-YCRPNKLZSA-N 1 0 395.503 4.212 20 0 GIADRO COc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)c(C)c1 ZINC000461040167 823563913 /nfs/dbraw/zinc/56/39/13/823563913.db2.gz COTCQCVNLQKXRZ-KRWDZBQOSA-N 1 0 392.421 4.027 20 0 GIADRO O=C(CC[NH2+][C@H](c1ccccc1)c1ccccn1)N[C@@H]1CCCc2ccccc21 ZINC000411320201 823564512 /nfs/dbraw/zinc/56/45/12/823564512.db2.gz FVIUHOCFJNFXKK-RCZVLFRGSA-N 1 0 385.511 4.345 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+][C@@H](CO)Cc1c[nH]c2ccccc12 ZINC000124068078 823564803 /nfs/dbraw/zinc/56/48/03/823564803.db2.gz NONOUMPBLOVKJD-RDTXWAMCSA-N 1 0 392.528 4.249 20 0 GIADRO Cc1ccc2ncc(C[NH+]3CCC(NC(=O)Nc4ccc(F)cc4)CC3)cc2c1 ZINC000411333675 823565054 /nfs/dbraw/zinc/56/50/54/823565054.db2.gz CMKZWYRZPWUHTL-UHFFFAOYSA-N 1 0 392.478 4.468 20 0 GIADRO C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1cccc(F)c1 ZINC000461048273 823565454 /nfs/dbraw/zinc/56/54/54/823565454.db2.gz VFJSGKGSNXXGAY-AUUYWEPGSA-N 1 0 394.412 4.339 20 0 GIADRO Cc1cc(NC(=O)C(=O)N[C@H](CC2CCC2)c2ccccc2)ccc1C[NH+](C)C ZINC000411361559 823566517 /nfs/dbraw/zinc/56/65/17/823566517.db2.gz XQHWXBLFUMZZTC-JOCHJYFZSA-N 1 0 393.531 4.043 20 0 GIADRO COc1cc(NC(=O)CC[NH2+]C2(c3ccc(F)cc3)CC2)c(OC)cc1Cl ZINC000411367111 823566731 /nfs/dbraw/zinc/56/67/31/823566731.db2.gz KUYHIBUFCZPSNY-UHFFFAOYSA-N 1 0 392.858 4.104 20 0 GIADRO O=C(NCc1ccc(F)cc1C(F)(F)F)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000124101737 823567635 /nfs/dbraw/zinc/56/76/35/823567635.db2.gz HAHAJXRYUKWABO-RDTXWAMCSA-N 1 0 399.432 4.003 20 0 GIADRO COc1cc(OC)c([C@@H](C)[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)cc1Cl ZINC000124115235 823568794 /nfs/dbraw/zinc/56/87/94/823568794.db2.gz VMYZCZVPGYUNFZ-HIFRSBDPSA-N 1 0 388.895 4.093 20 0 GIADRO COc1ccc(OCc2nc(C[NH2+]CCc3cc(C)c(O)c(C)c3)cs2)cc1 ZINC000190392374 823568856 /nfs/dbraw/zinc/56/88/56/823568856.db2.gz VMFRLTDQYJSRCP-UHFFFAOYSA-N 1 0 398.528 4.385 20 0 GIADRO O[C@@H](C[NH2+]Cc1ccc(Br)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000060953042 823568948 /nfs/dbraw/zinc/56/89/48/823568948.db2.gz KQZMCLBXIQVBBU-HNNXBMFYSA-N 1 0 390.199 4.171 20 0 GIADRO CC[C@H](NC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccccc1OC(F)F ZINC000060954918 823569150 /nfs/dbraw/zinc/56/91/50/823569150.db2.gz BHSOOKSYZDBRGR-ROUUACIJSA-N 1 0 391.462 4.341 20 0 GIADRO Cc1cc(C[NH+]2CCC(C(=O)NCCc3cccs3)CC2)c2ccccc2n1 ZINC000124125516 823569841 /nfs/dbraw/zinc/56/98/41/823569841.db2.gz VXAIQDOFXPWOSH-UHFFFAOYSA-N 1 0 393.556 4.176 20 0 GIADRO COC(=O)[C@@H](C)[C@H]([NH2+]CCc1nc(-c2cccc(Cl)c2)no1)c1ccccc1 ZINC000411396873 823570053 /nfs/dbraw/zinc/57/00/53/823570053.db2.gz YIPLNZHDDFZRHR-LIRRHRJNSA-N 1 0 399.878 4.073 20 0 GIADRO C[NH+]1CCN(c2ccccc2NC(=O)N2CCC[C@@H]2CC2CCCCC2)CC1 ZINC000060974922 823570484 /nfs/dbraw/zinc/57/04/84/823570484.db2.gz YNZIRQZFHVJPIB-HXUWFJFHSA-N 1 0 384.568 4.405 20 0 GIADRO Cc1c(C[NH2+]C[C@@H](Cc2ccccc2)C(C)C)c(=O)n(-c2ccccc2)n1C ZINC000190414256 823570548 /nfs/dbraw/zinc/57/05/48/823570548.db2.gz FATCESKADDRGMJ-OAQYLSRUSA-N 1 0 377.532 4.089 20 0 GIADRO CCC(CC)(C[NH2+]Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)OC ZINC000411405438 823570815 /nfs/dbraw/zinc/57/08/15/823570815.db2.gz ZJIAKKYRLILWQB-UHFFFAOYSA-N 1 0 399.516 4.133 20 0 GIADRO Cc1ccc2[nH]c([C@@H]3CCC[N@H+](CCC(=O)Nc4ccccc4F)C3)nc2c1 ZINC000411411947 823571310 /nfs/dbraw/zinc/57/13/10/823571310.db2.gz HBQPKPAWOPQUQM-MRXNPFEDSA-N 1 0 380.467 4.219 20 0 GIADRO CC[NH+](CC)CCCNC(=O)c1c(C)onc1-c1ccc(C(F)(F)F)cc1 ZINC000190420166 823571319 /nfs/dbraw/zinc/57/13/19/823571319.db2.gz RMFIGBAHQCUMQS-UHFFFAOYSA-N 1 0 383.414 4.131 20 0 GIADRO CSc1ccccc1NC(=O)CC[N@H+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000411412106 823571458 /nfs/dbraw/zinc/57/14/58/823571458.db2.gz ZJSSLSXIVOVZQR-HXUWFJFHSA-N 1 0 384.545 4.010 20 0 GIADRO Cc1cc(NC(=O)C(=O)Nc2ccc(OCCC(C)C)cc2)ccc1C[NH+](C)C ZINC000411417306 823571882 /nfs/dbraw/zinc/57/18/82/823571882.db2.gz IJTCTJQQDOCRGA-UHFFFAOYSA-N 1 0 397.519 4.059 20 0 GIADRO C[C@@H](c1ccncc1)[N@H+](C)CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000411417950 823571932 /nfs/dbraw/zinc/57/19/32/823571932.db2.gz JFZBCRDQBUGIHN-HTAPYJJXSA-N 1 0 379.529 4.432 20 0 GIADRO Cc1ccc([C@H]([NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)C2CCCC2)o1 ZINC000461079997 823572057 /nfs/dbraw/zinc/57/20/57/823572057.db2.gz HZBLDDWURUTJIN-OAQYLSRUSA-N 1 0 388.533 4.149 20 0 GIADRO Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+]C2CCC(O)CC2)cc1 ZINC000061003548 823572360 /nfs/dbraw/zinc/57/23/60/823572360.db2.gz GSISBTALDRXVQT-UHFFFAOYSA-N 1 0 379.479 4.380 20 0 GIADRO CCOc1cccc(CNC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)c1 ZINC000061011617 823572645 /nfs/dbraw/zinc/57/26/45/823572645.db2.gz IQHCHGAZWPVSBM-UHFFFAOYSA-N 1 0 395.547 4.461 20 0 GIADRO Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1C[NH2+]CCn1ccnc1 ZINC000061014640 823572981 /nfs/dbraw/zinc/57/29/81/823572981.db2.gz YCIPUZHCVIDNIS-UHFFFAOYSA-N 1 0 398.725 4.186 20 0 GIADRO CCC[C@@H](CCc1ccccc1)[NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1 ZINC000461085074 823573511 /nfs/dbraw/zinc/57/35/11/823573511.db2.gz HBUDWFBRLXEXKI-NRFANRHFSA-N 1 0 386.561 4.118 20 0 GIADRO C[C@@]1(CCCO)CCC[N@@H+]1CCC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000411433978 823573765 /nfs/dbraw/zinc/57/37/65/823573765.db2.gz BCWZPKVNZKEPBZ-DEOSSOPVSA-N 1 0 396.531 4.221 20 0 GIADRO COc1ccc([C@H](CNC(=O)NCc2cc3ccccc3o2)[NH+]2CCCC2)cc1 ZINC000061024756 823573820 /nfs/dbraw/zinc/57/38/20/823573820.db2.gz OMPDZDLJUVTHIG-NRFANRHFSA-N 1 0 393.487 4.078 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(Br)cn2)cc1OCC ZINC000411436330 823573966 /nfs/dbraw/zinc/57/39/66/823573966.db2.gz HCCRAUNCGPNZIA-CYBMUJFWSA-N 1 0 379.298 4.492 20 0 GIADRO CO[C@@]1(C[NH2+][C@@H](c2cccc(F)c2)c2cccc(Br)c2)CCOC1 ZINC000461087271 823573997 /nfs/dbraw/zinc/57/39/97/823573997.db2.gz MOECDGUAYAYMOD-RTBURBONSA-N 1 0 394.284 4.073 20 0 GIADRO CCOc1cc(CNCCC[N@@H+]2CCCC[C@H]2C)cc(Br)c1OC ZINC000061029086 823574105 /nfs/dbraw/zinc/57/41/05/823574105.db2.gz AWWFRTQQQVCZKU-OAHLLOKOSA-N 1 0 399.373 4.211 20 0 GIADRO CC(C)[C@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1cc2ccccc2o1 ZINC000461087605 823574189 /nfs/dbraw/zinc/57/41/89/823574189.db2.gz LEFAZLHYAARHLU-QFIPXVFZSA-N 1 0 398.528 4.460 20 0 GIADRO COc1cccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2CCSc3ccccc32)c1 ZINC000190440664 823574333 /nfs/dbraw/zinc/57/43/33/823574333.db2.gz XTMVZBTUYAAHHX-HXUWFJFHSA-N 1 0 399.560 4.006 20 0 GIADRO CCOc1ccccc1NC(=O)CC[NH2+][C@H](C)c1ccccc1OC(F)F ZINC000411440270 823574378 /nfs/dbraw/zinc/57/43/78/823574378.db2.gz BJGASLPXZYRLPM-CQSZACIVSA-N 1 0 378.419 4.366 20 0 GIADRO C[C@H]([NH2+]CCc1ccco1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000461088395 823574459 /nfs/dbraw/zinc/57/44/59/823574459.db2.gz UYAHSXVKJUAZNB-KRWDZBQOSA-N 1 0 390.549 4.174 20 0 GIADRO CCOC(=O)c1ccc(C[NH2+][C@H](C)c2cccc(OCc3ccccn3)c2)nc1 ZINC000411442143 823574589 /nfs/dbraw/zinc/57/45/89/823574589.db2.gz GFEVKUZTZGPMHX-QGZVFWFLSA-N 1 0 391.471 4.083 20 0 GIADRO Cc1ccc2ncc(C[NH2+][C@@H](C)c3ccc(OCC(=O)NC4CC4)cc3)cc2c1 ZINC000411445125 823574782 /nfs/dbraw/zinc/57/47/82/823574782.db2.gz MGZXJAHBZOJLCW-KRWDZBQOSA-N 1 0 389.499 4.051 20 0 GIADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCCC(=O)Nc2ccc(Cl)cc2)C[C@@H]1C ZINC000461089795 823574812 /nfs/dbraw/zinc/57/48/12/823574812.db2.gz OUGMRIHQWYMIQP-JCGIZDLHSA-N 1 0 380.916 4.016 20 0 GIADRO C[C@H]([NH2+]CCC(=O)NCc1ccccc1Cl)c1ccc(NC(=O)C2CC2)cc1 ZINC000411446054 823575057 /nfs/dbraw/zinc/57/50/57/823575057.db2.gz HYVCKQLMNPMEOA-HNNXBMFYSA-N 1 0 399.922 4.046 20 0 GIADRO CSc1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccc(OC(F)F)cc2)cc1 ZINC000411446515 823575201 /nfs/dbraw/zinc/57/52/01/823575201.db2.gz OUBAAAFJIRKXLT-HIFRSBDPSA-N 1 0 383.460 4.100 20 0 GIADRO COc1cc(C)c([C@@H](C)[NH2+]CCC(=O)Nc2ccccc2SC)cc1OC ZINC000411447515 823575395 /nfs/dbraw/zinc/57/53/95/823575395.db2.gz POFLBJAMMKZYGA-OAHLLOKOSA-N 1 0 388.533 4.414 20 0 GIADRO C[C@@H]([NH2+][C@@H](CCO)C1CCOCC1)c1ccc2ccccc2c1OC(F)F ZINC000461095171 823575888 /nfs/dbraw/zinc/57/58/88/823575888.db2.gz BRDBWUBKGLDVFB-KUHUBIRLSA-N 1 0 379.447 4.269 20 0 GIADRO COc1ccc2c(c1)CCC[C@H]2C[NH2+][C@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000124188801 823576006 /nfs/dbraw/zinc/57/60/06/823576006.db2.gz DRNZWMDDOMXHJY-BEFAXECRSA-N 1 0 382.504 4.433 20 0 GIADRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1Cl)c1cccc(N2CCCC2=O)c1 ZINC000411454352 823576438 /nfs/dbraw/zinc/57/64/38/823576438.db2.gz KVGACFCFEMVDJM-OAHLLOKOSA-N 1 0 385.895 4.146 20 0 GIADRO CCCOc1ccc([C@@H](C)[NH2+]CCc2nc(-c3ccccc3)no2)cc1OC ZINC000411454144 823576464 /nfs/dbraw/zinc/57/64/64/823576464.db2.gz RMKWBBGOAPSSIK-MRXNPFEDSA-N 1 0 381.476 4.427 20 0 GIADRO COc1cc([C@@H](C)[NH2+]CCc2nc(-c3ccccc3)no2)ccc1OC(C)C ZINC000411456047 823576645 /nfs/dbraw/zinc/57/66/45/823576645.db2.gz UMRLUVQVGYHHDS-MRXNPFEDSA-N 1 0 381.476 4.426 20 0 GIADRO COc1ccc(C[NH2+]C[C@H](C2CCCCC2)N(C)C)cc1OCc1cccnc1 ZINC000061070488 823576673 /nfs/dbraw/zinc/57/66/73/823576673.db2.gz QKVCCLSDHGUGLJ-JOCHJYFZSA-N 1 0 397.563 4.269 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CCC(=O)Nc2ccccc2Br)cc1 ZINC000411458727 823577241 /nfs/dbraw/zinc/57/72/41/823577241.db2.gz MDFPONUCUSNUMY-ZDUSSCGKSA-N 1 0 377.282 4.137 20 0 GIADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)[C@@H](C)c1cccc(Cl)c1 ZINC000461101098 823577454 /nfs/dbraw/zinc/57/74/54/823577454.db2.gz CEPQLFUXXSASQO-UWJYYQICSA-N 1 0 385.939 4.352 20 0 GIADRO Cc1c2ccccc2oc1[C@@H]([NH2+]CCC(=O)Nc1ccc(C(N)=O)cc1)C(C)C ZINC000411463864 823577808 /nfs/dbraw/zinc/57/78/08/823577808.db2.gz SLXGTTANEHQSTK-NRFANRHFSA-N 1 0 393.487 4.156 20 0 GIADRO O=C(C[NH2+][C@@H](c1ccccc1)[C@H]1CCOC1)Nc1nc(-c2cccs2)cs1 ZINC000411464838 823577939 /nfs/dbraw/zinc/57/79/39/823577939.db2.gz VOQZOXWTAZRJGX-KXBFYZLASA-N 1 0 399.541 4.178 20 0 GIADRO CC[C@H](C)[C@H](C)[NH2+]CCC(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1 ZINC000411468713 823578256 /nfs/dbraw/zinc/57/82/56/823578256.db2.gz JACLNDZVVQRNEQ-IRXDYDNUSA-N 1 0 397.519 4.300 20 0 GIADRO C[NH+](C)CCOc1cccc(CNC(=O)Nc2ccc(-c3nccs3)cc2)c1 ZINC000124219790 823578522 /nfs/dbraw/zinc/57/85/22/823578522.db2.gz VIKYTCGGEVQJQX-UHFFFAOYSA-N 1 0 396.516 4.072 20 0 GIADRO Cn1cc([C@@H]([NH2+]CCC(=O)Nc2cccc(C(F)(F)F)c2)C(C)(C)C)cn1 ZINC000411471555 823578646 /nfs/dbraw/zinc/57/86/46/823578646.db2.gz FMCMDMQMFQOULZ-QGZVFWFLSA-N 1 0 382.430 4.145 20 0 GIADRO COc1cccc(F)c1[C@@H](C)[NH2+]CCC(=O)Nc1ccccc1Br ZINC000411471046 823578708 /nfs/dbraw/zinc/57/87/08/823578708.db2.gz KAANOEJLJHTJMV-GFCCVEGCSA-N 1 0 395.272 4.276 20 0 GIADRO O=C(Nc1ccc(Br)cc1Cl)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000124221533 823578732 /nfs/dbraw/zinc/57/87/32/823578732.db2.gz NMNOQXSJCXZDCT-ZDUSSCGKSA-N 1 0 386.721 4.195 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)C[C@@H](c2ccc(O)cc2)C2CC2)CC1 ZINC000411473090 823578951 /nfs/dbraw/zinc/57/89/51/823578951.db2.gz IWWLYUNDABTVNY-XMMPIXPASA-N 1 0 392.543 4.365 20 0 GIADRO CSc1ccccc1NC(=O)CC[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000411480944 823579841 /nfs/dbraw/zinc/57/98/41/823579841.db2.gz WVIOAHHVXNYIBK-XLIONFOSSA-N 1 0 384.545 4.495 20 0 GIADRO COC[C@H]([NH2+]Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1)C1CC1 ZINC000411480697 823579852 /nfs/dbraw/zinc/57/98/52/823579852.db2.gz PDYOFEYCFAQKFF-HNNXBMFYSA-N 1 0 389.908 4.232 20 0 GIADRO Fc1ccc(OC2CC[NH+](Cc3ccccc3Oc3cccnc3)CC2)cn1 ZINC000190485082 823580220 /nfs/dbraw/zinc/58/02/20/823580220.db2.gz IRHYWPRZYCLRPH-UHFFFAOYSA-N 1 0 379.435 4.451 20 0 GIADRO CCOc1ccc(NC(=O)CC[NH2+][C@H](C)c2ccc(-n3ccnc3C)cc2)cc1 ZINC000411482405 823580259 /nfs/dbraw/zinc/58/02/59/823580259.db2.gz ZFJJNOVJSBPIMF-QGZVFWFLSA-N 1 0 392.503 4.259 20 0 GIADRO O=C(N1CCC[C@H]([NH+]2CCCC2)C1)C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000461116364 823580360 /nfs/dbraw/zinc/58/03/60/823580360.db2.gz KPTBOFGYXGYBNB-SFHVURJKSA-N 1 0 380.454 4.214 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N[C@@H]1CCSc2c(F)cccc21 ZINC000061142250 823580474 /nfs/dbraw/zinc/58/04/74/823580474.db2.gz VORXWEIURYMAFA-IAGOWNOFSA-N 1 0 389.496 4.092 20 0 GIADRO O=C(Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)Nc1cc(Cl)ccc1Cl ZINC000461117412 823580520 /nfs/dbraw/zinc/58/05/20/823580520.db2.gz ULYNHGMAHWGREM-HNNXBMFYSA-N 1 0 380.275 4.204 20 0 GIADRO COc1cccc([C@@H]2CCC[N@@H+]2Cc2c(C)nn(C)c2OCC(F)(F)F)c1 ZINC000124258615 823581709 /nfs/dbraw/zinc/58/17/09/823581709.db2.gz DQBYTIVJEFNDJE-KRWDZBQOSA-N 1 0 383.414 4.015 20 0 GIADRO Cc1c(F)cccc1NC(=O)CC[NH2+][C@H](CC(=O)OC(C)C)c1ccccc1 ZINC000411501637 823581806 /nfs/dbraw/zinc/58/18/06/823581806.db2.gz HYEMIHYKWGERFB-HXUWFJFHSA-N 1 0 386.467 4.135 20 0 GIADRO CC(C)(CNC(=O)Nc1cccc(OC(F)F)c1)[N@@H+]1CCc2ccccc2C1 ZINC000061166324 823581951 /nfs/dbraw/zinc/58/19/51/823581951.db2.gz VWVYVGLINVGHEI-UHFFFAOYSA-N 1 0 389.446 4.246 20 0 GIADRO O=C(C[C@@H](c1ccc(O)cc1)C1CC1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000411506876 823582178 /nfs/dbraw/zinc/58/21/78/823582178.db2.gz VQMOWYUFCVMYIH-HSZRJFAPSA-N 1 0 396.506 4.196 20 0 GIADRO CC[C@@H]([NH2+]CCc1nc(-c2ccccc2)no1)c1nc(C(F)(F)F)cs1 ZINC000411514146 823583036 /nfs/dbraw/zinc/58/30/36/823583036.db2.gz FPMMQGQMYCGROB-GFCCVEGCSA-N 1 0 382.411 4.495 20 0 GIADRO CC[C@H]([NH2+]CCC(=O)Nc1ccccc1Br)c1nc(C)cs1 ZINC000411516153 823583420 /nfs/dbraw/zinc/58/34/20/823583420.db2.gz XFIHNORXMRCZSQ-ZDUSSCGKSA-N 1 0 382.327 4.284 20 0 GIADRO CC[C@H]([NH2+]CCc1nc2sc3c(c2c(N)n1)CC[C@H](C)C3)c1nccs1 ZINC000411517786 823583628 /nfs/dbraw/zinc/58/36/28/823583628.db2.gz NNXMIWVXDPIBAX-AAEUAGOBSA-N 1 0 387.578 4.138 20 0 GIADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000190532780 823583941 /nfs/dbraw/zinc/58/39/41/823583941.db2.gz DMXNIYLUQCSNGS-OAHLLOKOSA-N 1 0 386.458 4.099 20 0 GIADRO CC[C@@H]([NH2+]CCC(=O)Nc1cccc(C(F)(F)F)c1)c1c(C)nn(C)c1C ZINC000411520099 823584107 /nfs/dbraw/zinc/58/41/07/823584107.db2.gz UYDHMKIEVZHFCG-MRXNPFEDSA-N 1 0 382.430 4.125 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)CCc2nc(-c3ccsc3)no2)cc1 ZINC000190537488 823584400 /nfs/dbraw/zinc/58/44/00/823584400.db2.gz RSUKONFETGJDSZ-UHFFFAOYSA-N 1 0 384.505 4.211 20 0 GIADRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N[C@H]1CCSc2ccc(F)cc21 ZINC000061230379 823585694 /nfs/dbraw/zinc/58/56/94/823585694.db2.gz WQAAPDXNBCVLLO-VQTJNVASSA-N 1 0 399.535 4.499 20 0 GIADRO Cc1cc(C(F)(F)F)ccc1CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000190553785 823585832 /nfs/dbraw/zinc/58/58/32/823585832.db2.gz JTQGNSQEWDJGLQ-GOSISDBHSA-N 1 0 383.458 4.174 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(-c3cncnc3)cc2F)cc1 ZINC000190556357 823585975 /nfs/dbraw/zinc/58/59/75/823585975.db2.gz ASNXSNDEECALQG-UHFFFAOYSA-N 1 0 378.451 4.377 20 0 GIADRO O=C(NCCC[NH+]1CCCC1)c1ccc(CSc2nc3ccccc3[nH]2)cc1 ZINC000061239133 823586514 /nfs/dbraw/zinc/58/65/14/823586514.db2.gz CUSFKYQXCUIZNG-UHFFFAOYSA-N 1 0 394.544 4.071 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)CSCC(=O)Nc2ccc(C)cc2)cc1 ZINC000190563634 823586736 /nfs/dbraw/zinc/58/67/36/823586736.db2.gz GPXVHNTWASSUEK-UHFFFAOYSA-N 1 0 399.560 4.147 20 0 GIADRO CC(C)Cc1ccc([C@@H](NC(=S)NCCC[NH+](C)C)c2cccs2)cc1 ZINC000061252918 823587259 /nfs/dbraw/zinc/58/72/59/823587259.db2.gz MUZKOPSLCPMKFJ-HXUWFJFHSA-N 1 0 389.634 4.452 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(-c2ncco2)cc1F ZINC000411552177 823587513 /nfs/dbraw/zinc/58/75/13/823587513.db2.gz OMMRLSAAAWOUKM-HTAPYJJXSA-N 1 0 379.479 4.481 20 0 GIADRO COc1cccc(COC[C@@H](O)C[N@H+](Cc2cccc(Cl)c2)C(C)C)c1 ZINC000061255259 823587535 /nfs/dbraw/zinc/58/75/35/823587535.db2.gz PVVXCBXBWARKHM-FQEVSTJZSA-N 1 0 377.912 4.137 20 0 GIADRO COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[N@H+](C)[C@H](C)c2ccc(C)cc2)c1 ZINC000061255841 823587638 /nfs/dbraw/zinc/58/76/38/823587638.db2.gz ZXTHFFOUKBEMDO-GCJKJVERSA-N 1 0 396.531 4.369 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)c2cccc(NC(=O)[C@@H]3C[C@@H]3C)c2)cc1 ZINC000190578196 823587868 /nfs/dbraw/zinc/58/78/68/823587868.db2.gz RQXWTSVDTZBDJG-HRAATJIYSA-N 1 0 379.504 4.375 20 0 GIADRO O=C(CC[NH2+][C@H]1CCCC[C@H]1n1cccn1)Nc1cc(Cl)ccc1Cl ZINC000411558605 823587957 /nfs/dbraw/zinc/58/79/57/823587957.db2.gz LZEFPKURHHQSRT-DOTOQJQBSA-N 1 0 381.307 4.292 20 0 GIADRO CC[C@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)c1cccc(Br)c1 ZINC000124335093 823588119 /nfs/dbraw/zinc/58/81/19/823588119.db2.gz GFUNWBHTYZWHKU-WFASDCNBSA-N 1 0 379.264 4.374 20 0 GIADRO CCCCOc1ccc(NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)c(C)c1 ZINC000411576045 823588881 /nfs/dbraw/zinc/58/88/81/823588881.db2.gz ODWVMVKFZRHUKQ-SFHVURJKSA-N 1 0 376.566 4.330 20 0 GIADRO CC(C)Cc1nc(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)cs1 ZINC000061285600 823589579 /nfs/dbraw/zinc/58/95/79/823589579.db2.gz GKZPDIRPNHXCHN-UHFFFAOYSA-N 1 0 375.563 4.143 20 0 GIADRO CCCN(C)c1ccc(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)cc1 ZINC000061286926 823589721 /nfs/dbraw/zinc/58/97/21/823589721.db2.gz PXIWMYDRXCCCGL-UHFFFAOYSA-N 1 0 397.588 4.376 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)C[C@@H]2c3ccccc3CCN2C(C)=O)cc1 ZINC000190597365 823589864 /nfs/dbraw/zinc/58/98/64/823589864.db2.gz GTRGQYCPMRCDQC-HSZRJFAPSA-N 1 0 393.531 4.003 20 0 GIADRO CC(C)(C)c1ncc(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)s1 ZINC000061287158 823589868 /nfs/dbraw/zinc/58/98/68/823589868.db2.gz HEHMLJIWNSPUJA-UHFFFAOYSA-N 1 0 389.590 4.284 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)c1ccc(-c2cnco2)cc1 ZINC000061287579 823589966 /nfs/dbraw/zinc/58/99/66/823589966.db2.gz UWXMWOPWSTWWFP-UHFFFAOYSA-N 1 0 393.512 4.185 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)c1cc(Cl)ccc1F ZINC000061288520 823589989 /nfs/dbraw/zinc/58/99/89/823589989.db2.gz NOMXOAKCBGHSSM-UHFFFAOYSA-N 1 0 378.900 4.323 20 0 GIADRO CC(C)c1ccc(OCC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)cc1 ZINC000061288742 823590004 /nfs/dbraw/zinc/59/00/04/823590004.db2.gz YTFDNDQMBZCDKV-UHFFFAOYSA-N 1 0 398.572 4.419 20 0 GIADRO Brc1ccc([C@H]([NH2+]Cc2ccc(-n3cncn3)cc2)C2CC2)s1 ZINC000190600263 823590244 /nfs/dbraw/zinc/59/02/44/823590244.db2.gz FWESNDASLQMEFL-QGZVFWFLSA-N 1 0 389.322 4.332 20 0 GIADRO C[C@@H]([NH2+]CCC(=O)Nc1cccc(F)c1)c1nc2ccccc2n1C(F)F ZINC000411609538 823590404 /nfs/dbraw/zinc/59/04/04/823590404.db2.gz HXUGFJHMJJTELC-GFCCVEGCSA-N 1 0 376.382 4.250 20 0 GIADRO C[C@H]1CN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)C[C@H](c2ccccc2)O1 ZINC000411621452 823591564 /nfs/dbraw/zinc/59/15/64/823591564.db2.gz QMLGDMBAYRJQPK-WMZHIEFXSA-N 1 0 378.516 4.275 20 0 GIADRO CC(C)[C@H](CC(F)(F)F)[NH2+]CCC(=O)Nc1ccc(Br)cc1F ZINC000411621117 823591592 /nfs/dbraw/zinc/59/15/92/823591592.db2.gz XCIXFCFSYVXMKD-ZDUSSCGKSA-N 1 0 399.226 4.483 20 0 GIADRO CC(C)[C@@H](CC(F)(F)F)[NH2+]CC(=O)Nc1nc(-c2cccs2)cs1 ZINC000411623835 823591729 /nfs/dbraw/zinc/59/17/29/823591729.db2.gz ZXWQFBUAOCAPBP-SNVBAGLBSA-N 1 0 377.457 4.377 20 0 GIADRO COc1cc(Br)ccc1[C@@H](C)[NH2+]CCC(=O)Nc1ccccc1F ZINC000411625152 823592020 /nfs/dbraw/zinc/59/20/20/823592020.db2.gz ZWDHIKHNLBCWCY-GFCCVEGCSA-N 1 0 395.272 4.276 20 0 GIADRO Cc1cccc(C)c1NC(=O)CCC[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000124384135 823592206 /nfs/dbraw/zinc/59/22/06/823592206.db2.gz WPLIZCLJUYVJRK-HXUWFJFHSA-N 1 0 393.531 4.373 20 0 GIADRO CSc1ccccc1NC(=O)CC[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000411637119 823592749 /nfs/dbraw/zinc/59/27/49/823592749.db2.gz CJYCNMOMKASOML-XLIONFOSSA-N 1 0 392.471 4.135 20 0 GIADRO C[C@H](CCc1ccco1)NC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000061351769 823592981 /nfs/dbraw/zinc/59/29/81/823592981.db2.gz DGMPIZWUMOQWQG-RTBURBONSA-N 1 0 383.536 4.475 20 0 GIADRO C[C@H](CCc1ccco1)NC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000061351767 823593041 /nfs/dbraw/zinc/59/30/41/823593041.db2.gz OYAIOZXAHUXCCC-RTBURBONSA-N 1 0 383.536 4.475 20 0 GIADRO O=C(CC[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1)Nc1ccccc1Cl ZINC000411645267 823593537 /nfs/dbraw/zinc/59/35/37/823593537.db2.gz KRSDLYDKRBZAEE-MJGOQNOKSA-N 1 0 379.287 4.442 20 0 GIADRO CC(C)(CO)[C@H]([NH2+]CCC(=O)Nc1ccccc1C(F)(F)F)c1ccccc1 ZINC000411646712 823593680 /nfs/dbraw/zinc/59/36/80/823593680.db2.gz WDVAYNBPVQBZRI-LJQANCHMSA-N 1 0 394.437 4.383 20 0 GIADRO OCC1(Cc2ccccc2)CC[NH+](Cc2ccc(-c3ncco3)cc2F)CC1 ZINC000411648361 823593866 /nfs/dbraw/zinc/59/38/66/823593866.db2.gz SIJYGYKWCNAQSK-UHFFFAOYSA-N 1 0 380.463 4.298 20 0 GIADRO Cc1c(F)cccc1NC(=O)CC[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000411648966 823593917 /nfs/dbraw/zinc/59/39/17/823593917.db2.gz PNUZJRZNPPHFHO-AZUAARDMSA-N 1 0 394.849 4.375 20 0 GIADRO Cc1ccoc1C(=O)NCCC[NH2+][C@@H](c1ccc(Br)s1)C1CC1 ZINC000190636708 823593945 /nfs/dbraw/zinc/59/39/45/823593945.db2.gz XHYLLOSVWNYBCF-OAHLLOKOSA-N 1 0 397.338 4.273 20 0 GIADRO Fc1cc([C@H]2OCC[C@@H]2[NH2+]Cc2ccc(Br)cn2)ccc1Cl ZINC000411649953 823594022 /nfs/dbraw/zinc/59/40/22/823594022.db2.gz QECZPRBUWGYCMR-JKSUJKDBSA-N 1 0 385.664 4.256 20 0 GIADRO O=C(CC[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)Nc1cc(F)cc(F)c1 ZINC000411650998 823594167 /nfs/dbraw/zinc/59/41/67/823594167.db2.gz RSMBOVVBYFAFKT-IEBWSBKVSA-N 1 0 380.822 4.067 20 0 GIADRO COc1cccc(C2([NH2+]CCOc3cccc(Cl)c3)CCOCC2)c1F ZINC000411652270 823594426 /nfs/dbraw/zinc/59/44/26/823594426.db2.gz WXFKCTGFCGLWSP-UHFFFAOYSA-N 1 0 379.859 4.162 20 0 GIADRO CCC(CC)n1nccc1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000124412508 823594713 /nfs/dbraw/zinc/59/47/13/823594713.db2.gz FWIKYFQIIYQDMU-UNMCSNQZSA-N 1 0 394.563 4.371 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)Nc1ccc(N2CCCCC2)nc1 ZINC000061397366 823595171 /nfs/dbraw/zinc/59/51/71/823595171.db2.gz FQYVPAQQKGIPDG-LJQANCHMSA-N 1 0 397.523 4.014 20 0 GIADRO COC(=O)CC1([NH2+]CCC(=O)Nc2ccccc2-c2ccccc2)CCCC1 ZINC000411659504 823595269 /nfs/dbraw/zinc/59/52/69/823595269.db2.gz PMVOSYZEXVWFEJ-UHFFFAOYSA-N 1 0 380.488 4.148 20 0 GIADRO CCCN(CC[NH+](CC)CC)C(=O)c1csc(Cc2ccc(F)cc2)n1 ZINC000461190981 823595956 /nfs/dbraw/zinc/59/59/56/823595956.db2.gz OTXMSGQIALZIKB-UHFFFAOYSA-N 1 0 377.529 4.067 20 0 GIADRO Cc1nc(C(C)(C)C)sc1C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000061432918 823597091 /nfs/dbraw/zinc/59/70/91/823597091.db2.gz FWHRHSDUKZEEKD-UHFFFAOYSA-N 1 0 377.529 4.092 20 0 GIADRO COc1cccc([C@H](CNC(=O)Nc2ccc(N3CCCC3)cc2C)[NH+](C)C)c1 ZINC000124448946 823597767 /nfs/dbraw/zinc/59/77/67/823597767.db2.gz NNFDCRIWJZDUCG-QFIPXVFZSA-N 1 0 396.535 4.028 20 0 GIADRO Cc1ccc(SCCNC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)cc1 ZINC000061444001 823597996 /nfs/dbraw/zinc/59/79/96/823597996.db2.gz WGVAVXJJARGANQ-UHFFFAOYSA-N 1 0 385.577 4.427 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)Nc1ccccc1-n1cccn1 ZINC000061450196 823598160 /nfs/dbraw/zinc/59/81/60/823598160.db2.gz HQYGJKNUSZSNES-UHFFFAOYSA-N 1 0 389.503 4.180 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)CCCOc2ccc(Cl)cc2Cl)CC1 ZINC000461211694 823599655 /nfs/dbraw/zinc/59/96/55/823599655.db2.gz WDXSTXUDDNMFFL-UHFFFAOYSA-N 1 0 387.351 4.391 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)[C@@H](c2ccccc2)N2CCc3ccccc32)CC1 ZINC000461213155 823599749 /nfs/dbraw/zinc/59/97/49/823599749.db2.gz CERZUSZFZREXOB-XMMPIXPASA-N 1 0 391.559 4.029 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)c2cccn2Cc2cccs2)[NH+]2CCCC2)cc1 ZINC000061502543 823600079 /nfs/dbraw/zinc/60/00/79/823600079.db2.gz JAJVHUGITZAALQ-JOCHJYFZSA-N 1 0 393.556 4.473 20 0 GIADRO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C[NH2+][C@@](C)(C(N)=O)C(C)C ZINC000411726423 823600438 /nfs/dbraw/zinc/60/04/38/823600438.db2.gz KFJUQNBFZBFSGW-QGZVFWFLSA-N 1 0 385.455 4.127 20 0 GIADRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1C(F)(F)F)c1ccc2n[nH]cc2c1 ZINC000411728584 823600525 /nfs/dbraw/zinc/60/05/25/823600525.db2.gz UUHJEAGJXIQXAL-GFCCVEGCSA-N 1 0 376.382 4.261 20 0 GIADRO FC(F)(F)c1ccc(C[C@]2([NH2+]Cc3cc(-c4ccco4)on3)CCOC2)cc1 ZINC000411729082 823600557 /nfs/dbraw/zinc/60/05/57/823600557.db2.gz VTAOKZQSSUNMOB-LJQANCHMSA-N 1 0 392.377 4.445 20 0 GIADRO COc1cccc(NC(=O)CC[N@@H+]2CCC[C@@H]2c2nc3cc(C)ccc3[nH]2)c1 ZINC000411729431 823600626 /nfs/dbraw/zinc/60/06/26/823600626.db2.gz FKWVPARKTKNAFU-HXUWFJFHSA-N 1 0 378.476 4.046 20 0 GIADRO C[C@H]1c2nnc(C3CCCC3)n2CCN1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411737062 823600976 /nfs/dbraw/zinc/60/09/76/823600976.db2.gz GZKOSTIBRRYRLV-IBGZPJMESA-N 1 0 393.579 4.498 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)NC[C@@H]1CCCc2ccccc21 ZINC000061521610 823601078 /nfs/dbraw/zinc/60/10/78/823601078.db2.gz XBEOWHAPVYTWLB-QFIPXVFZSA-N 1 0 377.532 4.202 20 0 GIADRO O=C(NCCCCOc1ccc(F)cc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000061522315 823601153 /nfs/dbraw/zinc/60/11/53/823601153.db2.gz BLHTVGQGFBWGKN-UHFFFAOYSA-N 1 0 399.510 4.080 20 0 GIADRO c1ccc(-c2noc([C@H]([NH2+][C@@H]3CCC[C@H]4OCC[C@@H]43)c3ccccc3)n2)cc1 ZINC000124496500 823601539 /nfs/dbraw/zinc/60/15/39/823601539.db2.gz OBHKVAOIPHXHSX-XRXFAXGQSA-N 1 0 375.472 4.373 20 0 GIADRO COc1ccccc1[C@@H]1C[C@H]1C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000411746993 823602120 /nfs/dbraw/zinc/60/21/20/823602120.db2.gz PJDUJWZSHLCZHB-BHDDXSALSA-N 1 0 378.516 4.060 20 0 GIADRO C[C@H](C[NH2+][C@H](C)c1ccc(OCc2nccn2C)cc1)Oc1cccc(F)c1 ZINC000124509863 823602428 /nfs/dbraw/zinc/60/24/28/823602428.db2.gz OEVAMXGPRHIEGX-IAGOWNOFSA-N 1 0 383.467 4.256 20 0 GIADRO C=Cc1ccc(CCNC(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2C)cc1 ZINC000461238800 823602439 /nfs/dbraw/zinc/60/24/39/823602439.db2.gz DKRMKIXEVGZFNA-UHFFFAOYSA-N 1 0 392.547 4.144 20 0 GIADRO CC[NH+]1CCC(N(C)C(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)CC1 ZINC000124512364 823602516 /nfs/dbraw/zinc/60/25/16/823602516.db2.gz ICCDWYVPNPTUPT-UHFFFAOYSA-N 1 0 397.466 4.385 20 0 GIADRO COc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1C ZINC000411757640 823602829 /nfs/dbraw/zinc/60/28/29/823602829.db2.gz LYGQKKVRCXHWJT-VQTJNVASSA-N 1 0 396.556 4.295 20 0 GIADRO O=C(NC1(c2ccc(Cl)cc2)CCC1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000411758832 823602944 /nfs/dbraw/zinc/60/29/44/823602944.db2.gz OSLHQCXZTHIKMT-GOSISDBHSA-N 1 0 378.969 4.053 20 0 GIADRO CC(C)([NH2+]CCC(=O)Nc1ccccc1Br)c1ccccc1F ZINC000411758773 823602993 /nfs/dbraw/zinc/60/29/93/823602993.db2.gz OHEGYRAOXRSVTQ-UHFFFAOYSA-N 1 0 379.273 4.442 20 0 GIADRO O=C(C[C@@H](c1ccc(O)cc1)C1CC1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000411762249 823603146 /nfs/dbraw/zinc/60/31/46/823603146.db2.gz WXZPGWMOTJOYCL-HTAPYJJXSA-N 1 0 398.572 4.366 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)CC[NH+]1CCC(F)(c2ccccn2)CC1 ZINC000411773250 823604122 /nfs/dbraw/zinc/60/41/22/823604122.db2.gz VYMXEDXUUFYBFV-UHFFFAOYSA-N 1 0 391.874 4.033 20 0 GIADRO O=C(CCOc1ccc(Cl)cc1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000061567796 823604314 /nfs/dbraw/zinc/60/43/14/823604314.db2.gz CTEJJPBJOQRPBL-UHFFFAOYSA-N 1 0 392.952 4.199 20 0 GIADRO N#CCSc1ccccc1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000061571772 823604621 /nfs/dbraw/zinc/60/46/21/823604621.db2.gz UORKINDDCLKJKQ-UHFFFAOYSA-N 1 0 383.542 4.103 20 0 GIADRO C[C@@H]1C[N@H+](C[C@H]2CCC(C)(C)O2)C2(CCCC2)CN1C[C@H]1CCC(C)(C)O1 ZINC000411788451 823604735 /nfs/dbraw/zinc/60/47/35/823604735.db2.gz LKIBYNSSQVZSSD-VAMGGRTRSA-N 1 0 378.601 4.221 20 0 GIADRO C[C@H]1CCC[C@](CNC(=O)CCc2ncc(-c3ccccc3F)o2)([NH+](C)C)C1 ZINC000124538492 823604806 /nfs/dbraw/zinc/60/48/06/823604806.db2.gz RLWIFDQGNPEGFF-AOMKIAJQSA-N 1 0 387.499 4.040 20 0 GIADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1ccc(-c2noc(CC(C)(C)C)n2)cc1 ZINC000461256120 823605861 /nfs/dbraw/zinc/60/58/61/823605861.db2.gz GWWCFTAQSYRVBZ-LJQANCHMSA-N 1 0 398.551 4.272 20 0 GIADRO Cc1ncc(C[NH2+]Cc2ccc(Br)c(Br)c2)s1 ZINC000124555009 823606119 /nfs/dbraw/zinc/60/61/19/823606119.db2.gz LVAZHYMCNGJWEH-UHFFFAOYSA-N 1 0 376.117 4.266 20 0 GIADRO CCOc1c(C[NH+]2CCC([C@H](O)c3ccccc3)CC2)c(C)nn1CC(C)C ZINC000124558893 823606382 /nfs/dbraw/zinc/60/63/82/823606382.db2.gz NVYYQKNUFWETPM-JOCHJYFZSA-N 1 0 385.552 4.192 20 0 GIADRO CCCOc1c(Cl)cc(C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cc1OC ZINC000461259685 823606876 /nfs/dbraw/zinc/60/68/76/823606876.db2.gz AZFBFEIEDFGICV-INIZCTEOSA-N 1 0 382.932 4.084 20 0 GIADRO COc1cc(-n2cccc2)c(Cl)cc1C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000461260291 823607073 /nfs/dbraw/zinc/60/70/73/823607073.db2.gz DDILNEFCGVJVRA-INIZCTEOSA-N 1 0 389.927 4.086 20 0 GIADRO C[C@@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1CCC(=O)Nc1ccccc1Br ZINC000411811357 823607115 /nfs/dbraw/zinc/60/71/15/823607115.db2.gz XTYDEHCSHVSQDQ-NEPJUHHUSA-N 1 0 393.247 4.441 20 0 GIADRO CCc1sc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CCN(C)CC2)cc1C ZINC000124569815 823607343 /nfs/dbraw/zinc/60/73/43/823607343.db2.gz UHWANMZNXIIOQO-RTBURBONSA-N 1 0 391.625 4.028 20 0 GIADRO Cc1ccc(-n2nc(C(=O)N(C)CC[C@@H]3CCCC[N@@H+]3C)c3c2CCCC3)cc1 ZINC000461263340 823608180 /nfs/dbraw/zinc/60/81/80/823608180.db2.gz LNQJDTQWQCSKTC-IBGZPJMESA-N 1 0 394.563 4.006 20 0 GIADRO C[C@@H](CCCc1cccnc1)[NH2+]CCC(=O)Nc1ccccc1C(F)(F)F ZINC000411820916 823608429 /nfs/dbraw/zinc/60/84/29/823608429.db2.gz NHDKXUNLIOIJET-HNNXBMFYSA-N 1 0 379.426 4.430 20 0 GIADRO CC(C)Oc1cc(Br)ccc1C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000461266177 823608869 /nfs/dbraw/zinc/60/88/69/823608869.db2.gz RQOVPWOHGOGOPM-INIZCTEOSA-N 1 0 397.357 4.183 20 0 GIADRO COc1ccc(NC(=O)CC[NH2+][C@@H](C)CCCc2cccnc2)cc1Cl ZINC000411825282 823608954 /nfs/dbraw/zinc/60/89/54/823608954.db2.gz RKYCKDCUSUOMGE-HNNXBMFYSA-N 1 0 375.900 4.073 20 0 GIADRO COc1cccc(CN2CCC([C@H](O)c3ccccc3)CC2)c1OC(F)F ZINC000124599656 823609947 /nfs/dbraw/zinc/60/99/47/823609947.db2.gz ADMIAFWDKLZFLE-LJQANCHMSA-N 1 0 377.431 4.242 20 0 GIADRO CN(C)c1ccc(NC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)cc1 ZINC000061733516 823610048 /nfs/dbraw/zinc/61/00/48/823610048.db2.gz UCKKJROQYZEZSF-UHFFFAOYSA-N 1 0 380.536 4.450 20 0 GIADRO CC(=O)[C@H](C)CCCCC(=O)Nc1cc(C)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000190798509 823610314 /nfs/dbraw/zinc/61/03/14/823610314.db2.gz CUPQQABMDYVVQG-LJQANCHMSA-N 1 0 387.568 4.249 20 0 GIADRO CCC[C@H]1C[C@@H](C(=O)Nc2cc(C)cc(N3CC[NH+](C(C)C)CC3)c2)CCO1 ZINC000190799080 823610353 /nfs/dbraw/zinc/61/03/53/823610353.db2.gz FKUYXGGQRVCROJ-UGKGYDQZSA-N 1 0 387.568 4.059 20 0 GIADRO O=C(CC[NH2+][C@@H](c1cccs1)C1(CO)CCC1)N[C@@H]1CCCc2ccccc21 ZINC000411861460 823611325 /nfs/dbraw/zinc/61/13/25/823611325.db2.gz FDWVWDYWLDGZLN-KNQAVFIVSA-N 1 0 398.572 4.125 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)c1 ZINC000061747716 823611608 /nfs/dbraw/zinc/61/16/08/823611608.db2.gz HJQIHYIGUDHAGU-UHFFFAOYSA-N 1 0 394.519 4.343 20 0 GIADRO Cn1c2cc(Br)ccc2nc1C[N@@H+]1CCSC2(CCC2)CC1 ZINC000411872926 823611655 /nfs/dbraw/zinc/61/16/55/823611655.db2.gz AWISNVCIBSPNQZ-UHFFFAOYSA-N 1 0 380.355 4.197 20 0 GIADRO CSc1ccccc1NC(=O)CC[NH2+][C@H](c1cccs1)C1(CO)CCC1 ZINC000411883295 823612510 /nfs/dbraw/zinc/61/25/10/823612510.db2.gz VSKYDNYRYRUKGA-LJQANCHMSA-N 1 0 390.574 4.292 20 0 GIADRO COC(=O)c1ccc(NC(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)c(C)c1 ZINC000061767722 823612717 /nfs/dbraw/zinc/61/27/17/823612717.db2.gz UGUYRCUCBJBKPH-NRFANRHFSA-N 1 0 395.503 4.049 20 0 GIADRO CCN(Cc1c[nH]c2ccccc12)C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000190822494 823613196 /nfs/dbraw/zinc/61/31/96/823613196.db2.gz AMFQGKCZJCBWCT-QZTJIDSGSA-N 1 0 382.552 4.352 20 0 GIADRO CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@H](C)C(=O)Nc1cccc(Cl)c1Cl ZINC000411892704 823613474 /nfs/dbraw/zinc/61/34/74/823613474.db2.gz LAFWRWICVVACAO-ONUMYQOESA-N 1 0 379.287 4.222 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)c2nnc(CC(C)(C)C)n2Cc2cccs2)[C@H](C)C1 ZINC000461299555 823613718 /nfs/dbraw/zinc/61/37/18/823613718.db2.gz ZLFHQQPTUFGJAJ-SJLPKXTDSA-N 1 0 389.613 4.143 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)c2nnc(CC(C)(C)C)n2Cc2cccs2)[C@H](C)C1 ZINC000461299553 823613746 /nfs/dbraw/zinc/61/37/46/823613746.db2.gz ZLFHQQPTUFGJAJ-AEFFLSMTSA-N 1 0 389.613 4.143 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H](C(=O)NC(C)C)C2)cc1Br ZINC000124646348 823613815 /nfs/dbraw/zinc/61/38/15/823613815.db2.gz KXLVKXRHEUYGMO-CWRNSKLLSA-N 1 0 397.357 4.192 20 0 GIADRO C[NH+](C)CCCOC1CCN(C(=O)NC2CCC3(CCCCC3)CC2)CC1 ZINC000190833712 823614252 /nfs/dbraw/zinc/61/42/52/823614252.db2.gz QIEDIRANJWJMNE-UHFFFAOYSA-N 1 0 379.589 4.022 20 0 GIADRO O[C@@H]1C[C@@H](c2ccccc2)[N@H+](Cc2ccc(OCc3ccccc3F)nc2)C1 ZINC000411930719 823614758 /nfs/dbraw/zinc/61/47/58/823614758.db2.gz ZNOSGLPFELCLTG-IRLDBZIGSA-N 1 0 378.447 4.108 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cn(-c2cccc(F)c2)nc1C ZINC000411930685 823614769 /nfs/dbraw/zinc/61/47/69/823614769.db2.gz GYLDGUCYKBJVQC-UHFFFAOYSA-N 1 0 394.494 4.044 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)c2nnc(-c3ccccc3)n2Cc2cccs2)[C@H](C)C1 ZINC000461309374 823615322 /nfs/dbraw/zinc/61/53/22/823615322.db2.gz QOSMBBLUMYQGDP-YLJYHZDGSA-N 1 0 395.576 4.221 20 0 GIADRO CCCCc1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1Cc1cccs1 ZINC000461312545 823615832 /nfs/dbraw/zinc/61/58/32/823615832.db2.gz KMVKMPZFNYLWPA-UHFFFAOYSA-N 1 0 387.597 4.185 20 0 GIADRO Cc1ccc([C@H](CNC(=O)Nc2ccc(-n3cccn3)cc2C)[NH+]2CCCC2)o1 ZINC000190848535 823616135 /nfs/dbraw/zinc/61/61/35/823616135.db2.gz WNTLSFLQEXXCRA-FQEVSTJZSA-N 1 0 393.491 4.041 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@@H]2CC(C)(C)c3ccccc32)c1 ZINC000124676333 823616241 /nfs/dbraw/zinc/61/62/41/823616241.db2.gz IHOQFXNOIAKZML-OAQYLSRUSA-N 1 0 393.531 4.006 20 0 GIADRO Cc1ccc2oc(C(=O)N(C)[C@H]3CCCC[C@@H]3[N@H+](C)C3CCN(C)CC3)cc2c1 ZINC000124676304 823616292 /nfs/dbraw/zinc/61/62/92/823616292.db2.gz WBNGSCSDWOPQKB-SFTDATJTSA-N 1 0 397.563 4.150 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)CCCCc2ccc(Br)cc2)CC[N@@H+]1C ZINC000124678350 823616638 /nfs/dbraw/zinc/61/66/38/823616638.db2.gz ULWHVMFVZTZPKK-QAPCUYQASA-N 1 0 381.358 4.103 20 0 GIADRO COCc1cccc(CNC(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)c1 ZINC000061867701 823616810 /nfs/dbraw/zinc/61/68/10/823616810.db2.gz WUDZUMDVESOSPA-LJQANCHMSA-N 1 0 395.547 4.207 20 0 GIADRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H]2C[C@@]2(F)c2ccccc2)CC1 ZINC000411962719 823617094 /nfs/dbraw/zinc/61/70/94/823617094.db2.gz VDJMEZBZCMZFBQ-ISKFKSNPSA-N 1 0 380.507 4.242 20 0 GIADRO Cc1cccc(C(C)C)c1NC(=O)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000061879030 823617216 /nfs/dbraw/zinc/61/72/16/823617216.db2.gz ONFYJCVQSIDNKA-OAQYLSRUSA-N 1 0 393.531 4.010 20 0 GIADRO CO[C@@](C)([C@H](C)[NH2+]CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)C1CC1 ZINC000411973507 823617292 /nfs/dbraw/zinc/61/72/92/823617292.db2.gz RUOBLOQRKDJOOF-FVMDXXJSSA-N 1 0 379.715 4.379 20 0 GIADRO CO[C@@](C)([C@H](C)[NH2+]Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1)C1CC1 ZINC000411974825 823617412 /nfs/dbraw/zinc/61/74/12/823617412.db2.gz UUEJNSYFCORIFF-ZSEKCTLFSA-N 1 0 383.517 4.357 20 0 GIADRO Cc1cccc(C)c1NC(=O)CCC[N@@H+]1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000411976522 823617453 /nfs/dbraw/zinc/61/74/53/823617453.db2.gz DJFSDKLCRADGHC-DEOSSOPVSA-N 1 0 392.499 4.132 20 0 GIADRO CCc1ccc([C@H]2CN(C(=O)c3cccc(C[NH+]4CCCC4)c3)CCO2)cc1 ZINC000190867858 823618147 /nfs/dbraw/zinc/61/81/47/823618147.db2.gz OQZFDXNDWZUFJJ-HSZRJFAPSA-N 1 0 378.516 4.059 20 0 GIADRO CC(C)OC(=O)Cc1nc(C[N@@H+]2C[C@@H](c3ccccc3)C3(CCC3)C2)cs1 ZINC000411984916 823618187 /nfs/dbraw/zinc/61/81/87/823618187.db2.gz NLLWGABGDHDEDI-IBGZPJMESA-N 1 0 384.545 4.407 20 0 GIADRO CC[C@H](C(=O)N[C@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1)c1ccc(F)cc1 ZINC000461329296 823618494 /nfs/dbraw/zinc/61/84/94/823618494.db2.gz CCMVIKDOFPOXMZ-RJGXRXQPSA-N 1 0 396.506 4.422 20 0 GIADRO CSc1ccccc1OC[C@@H](O)C[N@H+](Cc1cn2c(cccc2C)n1)C(C)C ZINC000411991513 823618689 /nfs/dbraw/zinc/61/86/89/823618689.db2.gz XVHYYXOSNOFEIG-IBGZPJMESA-N 1 0 399.560 4.015 20 0 GIADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(-c3ccccc3)cc2)CCCCCC1 ZINC000061925336 823618822 /nfs/dbraw/zinc/61/88/22/823618822.db2.gz LWSZLIAEWYZFEV-UHFFFAOYSA-N 1 0 393.531 4.063 20 0 GIADRO C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000411995200 823619201 /nfs/dbraw/zinc/61/92/01/823619201.db2.gz CILIQVJEZJZXAS-DNVFCKCGSA-N 1 0 390.527 4.206 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)C(=O)Nc1c(C)cccc1C(C)C ZINC000061977506 823620904 /nfs/dbraw/zinc/62/09/04/823620904.db2.gz JWISSGOOJYWLPS-UHFFFAOYSA-N 1 0 395.547 4.215 20 0 GIADRO CC(C)c1ccccc1OC[C@@H](O)C[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000412005214 823621277 /nfs/dbraw/zinc/62/12/77/823621277.db2.gz ZTTZILVCBRIECL-XUZZJYLKSA-N 1 0 395.543 4.403 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)C[N@@H+](C)[C@H]2CCCC[C@@H]2c2ccccc2)cc1 ZINC000412006846 823621730 /nfs/dbraw/zinc/62/17/30/823621730.db2.gz HXILXGLHXDDAGZ-YADHBBJMSA-N 1 0 379.504 4.242 20 0 GIADRO CCc1nc(C(C)C)ccc1C[NH2+][C@@H](c1ccccc1)C1(CO)CCOCC1 ZINC000412007345 823621808 /nfs/dbraw/zinc/62/18/08/823621808.db2.gz FJICDMRFOAKYSF-QHCPKHFHSA-N 1 0 382.548 4.387 20 0 GIADRO OCC1([C@H]([NH2+]Cc2ccccc2Br)c2ccccc2)CCOCC1 ZINC000412010211 823622215 /nfs/dbraw/zinc/62/22/15/823622215.db2.gz PPIMJMIGWZUCHW-LJQANCHMSA-N 1 0 390.321 4.069 20 0 GIADRO CC(C)O[C@H](C[NH2+][C@@H](c1ccccc1)C1(CO)CCOCC1)c1ccccc1 ZINC000412013873 823622667 /nfs/dbraw/zinc/62/26/67/823622667.db2.gz WBDNEQQTPPLVRI-PKTZIBPZSA-N 1 0 383.532 4.273 20 0 GIADRO COC1([C@H](C)[NH2+]C[C@H](O)CO[C@@H](c2ccccc2)c2ccccc2C)CCC1 ZINC000412022723 823623296 /nfs/dbraw/zinc/62/32/96/823623296.db2.gz VEHFAGDDYBBGJI-RRPUWOKSSA-N 1 0 383.532 4.009 20 0 GIADRO CC(C)c1cc(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)nn1C(C)(C)C ZINC000062229984 823625076 /nfs/dbraw/zinc/62/50/76/823625076.db2.gz BJUVBMRITKBFHW-HXUWFJFHSA-N 1 0 396.579 4.404 20 0 GIADRO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccn1Cc1ccccc1 ZINC000062230578 823625276 /nfs/dbraw/zinc/62/52/76/823625276.db2.gz BWZJSTOTZADEJC-HSZRJFAPSA-N 1 0 387.527 4.178 20 0 GIADRO C[C@H]([NH2+]C[C@H](c1ccc(F)cc1)N(C)C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000124776950 823625412 /nfs/dbraw/zinc/62/54/12/823625412.db2.gz CSMVFKXYQFCFIX-YCRPNKLZSA-N 1 0 384.499 4.063 20 0 GIADRO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cc(F)c(F)cc1Cl ZINC000062231518 823625500 /nfs/dbraw/zinc/62/55/00/823625500.db2.gz FXXWQOBJROAJGW-HNNXBMFYSA-N 1 0 378.850 4.260 20 0 GIADRO Cc1cccc(OCCCCC(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000062244770 823625869 /nfs/dbraw/zinc/62/58/69/823625869.db2.gz IPOYAWGRTNXDSE-UHFFFAOYSA-N 1 0 380.532 4.456 20 0 GIADRO Cn1cc(C[NH2+]Cc2ccccc2OCc2ccccc2)c(-c2ccncc2)n1 ZINC000062254863 823626633 /nfs/dbraw/zinc/62/66/33/823626633.db2.gz MIIMMCDGUANMTC-UHFFFAOYSA-N 1 0 384.483 4.351 20 0 GIADRO Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[NH2+]C[C@H](C)Cn1ccnc1 ZINC000062254475 823626755 /nfs/dbraw/zinc/62/67/55/823626755.db2.gz SLIRDMNXOKEOPV-ZDUSSCGKSA-N 1 0 378.307 4.110 20 0 GIADRO C[C@H](CC(F)F)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000412112076 823627032 /nfs/dbraw/zinc/62/70/32/823627032.db2.gz BCMACNONMJJXKB-IFIJOSMWSA-N 1 0 392.412 4.496 20 0 GIADRO CC(C)(CNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)c1ccc(F)cc1Cl ZINC000412112151 823627133 /nfs/dbraw/zinc/62/71/33/823627133.db2.gz GMDUPEDNEXBANX-INIZCTEOSA-N 1 0 398.975 4.090 20 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/nfs/dbraw/zinc/63/02/81/823630281.db2.gz WGIGBZRUTIRQMI-UHFFFAOYSA-N 1 0 387.474 4.439 20 0 GIADRO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1ccccc1Oc1ccc(F)cc1Cl ZINC000461415159 823631740 /nfs/dbraw/zinc/63/17/40/823631740.db2.gz DIZLTYFKTZLKJK-ZDUSSCGKSA-N 1 0 385.888 4.184 20 0 GIADRO CC[NH+](CC)CCOC1CCN(C(=O)c2[nH]c3c(cccc3Cl)c2C)CC1 ZINC000412164015 823631886 /nfs/dbraw/zinc/63/18/86/823631886.db2.gz UOCSWHRQQKLGQP-UHFFFAOYSA-N 1 0 391.943 4.093 20 0 GIADRO O=C(Nc1cccc(NC(=O)C2CC2)c1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000062385551 823631908 /nfs/dbraw/zinc/63/19/08/823631908.db2.gz HOYKERBKZZIOEJ-UHFFFAOYSA-N 1 0 398.551 4.201 20 0 GIADRO COCc1cccc(NC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)c1 ZINC000062388256 823632061 /nfs/dbraw/zinc/63/20/61/823632061.db2.gz UVJMKVFMIJGZJS-UHFFFAOYSA-N 1 0 375.900 4.082 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)C[C@@H](c2ccc(O)cc2)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000412169632 823632314 /nfs/dbraw/zinc/63/23/14/823632314.db2.gz CCZJMYXGWRQDPO-RVSNTGDXSA-N 1 0 392.543 4.445 20 0 GIADRO CC(C)Oc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)cc1 ZINC000062393898 823632519 /nfs/dbraw/zinc/63/25/19/823632519.db2.gz BREQYGJLEURKGM-UHFFFAOYSA-N 1 0 391.462 4.348 20 0 GIADRO CCOc1cc(F)ccc1NC(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000062399786 823632641 /nfs/dbraw/zinc/63/26/41/823632641.db2.gz FOORZOODNASMIO-UHFFFAOYSA-N 1 0 377.504 4.391 20 0 GIADRO O=C(N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)C1(c2cccc(Cl)c2)CC1 ZINC000461421435 823632895 /nfs/dbraw/zinc/63/28/95/823632895.db2.gz CNXVXJXQXKIESL-PMACEKPBSA-N 1 0 394.946 4.352 20 0 GIADRO COc1ccc([C@H](C)CC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000461421292 823632946 /nfs/dbraw/zinc/63/29/46/823632946.db2.gz HFWYHDGPWLBACF-WTIAFYNJSA-N 1 0 392.543 4.169 20 0 GIADRO O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N1CCC(=Cc2ccccc2F)CC1 ZINC000412180253 823633283 /nfs/dbraw/zinc/63/32/83/823633283.db2.gz ZKXFJMOLZPJOMF-FQEVSTJZSA-N 1 0 388.552 4.049 20 0 GIADRO Cc1cc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c(C(F)(F)F)o1 ZINC000461422571 823633284 /nfs/dbraw/zinc/63/32/84/823633284.db2.gz DDYCFXPCQOCXPT-IRXDYDNUSA-N 1 0 392.421 4.201 20 0 GIADRO CC(C)(C)[C@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)c1ccc(F)cc1F ZINC000412184827 823633843 /nfs/dbraw/zinc/63/38/43/823633843.db2.gz OUHBJEIBNXMDFD-VQIMIIECSA-N 1 0 396.547 4.386 20 0 GIADRO C[C@H]1CN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)C[C@H](c2ccsc2)O1 ZINC000412185714 823634033 /nfs/dbraw/zinc/63/40/33/823634033.db2.gz MQLJZFMWSQLDLR-LAUBAEHRSA-N 1 0 384.545 4.336 20 0 GIADRO CC[C@H](OC1CCCCC1)C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461426976 823634320 /nfs/dbraw/zinc/63/43/20/823634320.db2.gz LFTPKHZAMHODDB-XPNTWCBSSA-N 1 0 384.564 4.095 20 0 GIADRO COc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000412194734 823634565 /nfs/dbraw/zinc/63/45/65/823634565.db2.gz OMTIOVXUNGCMFB-BVYCBKJFSA-N 1 0 384.564 4.302 20 0 GIADRO COc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000412194735 823634610 /nfs/dbraw/zinc/63/46/10/823634610.db2.gz 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C[NH+](C)[C@@H](CNC(=O)N1CCC(c2cc3ccccc3[nH]2)CC1)c1ccsc1 ZINC000062485803 823638245 /nfs/dbraw/zinc/63/82/45/823638245.db2.gz KYFISYFIXHKICS-NRFANRHFSA-N 1 0 396.560 4.421 20 0 GIADRO CCOc1ccccc1CNC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000062499557 823638760 /nfs/dbraw/zinc/63/87/60/823638760.db2.gz LMJHTYCRNLBDEX-UHFFFAOYSA-N 1 0 389.927 4.012 20 0 GIADRO CC[C@H](c1ccncc1)N(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000124945497 823639241 /nfs/dbraw/zinc/63/92/41/823639241.db2.gz ZOVYVKCVBHUZEF-FXAWDEMLSA-N 1 0 386.565 4.148 20 0 GIADRO O=C(c1cccc(C[NH+]2CCCCC2)c1)N1CC[C@@H](n2ncc3ccccc32)C1 ZINC000412245976 823639418 /nfs/dbraw/zinc/63/94/18/823639418.db2.gz OHMDXEWJMSPCJK-JOCHJYFZSA-N 1 0 388.515 4.109 20 0 GIADRO C[C@H](CCc1cccc(F)c1)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461447275 823639652 /nfs/dbraw/zinc/63/96/52/823639652.db2.gz FRBAJPGATFGGFM-WTIAFYNJSA-N 1 0 394.534 4.375 20 0 GIADRO C[C@H](CCc1cccc(F)c1)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 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SXXSIMYEOJQJMV-UHFFFAOYSA-N 1 0 399.709 4.046 20 0 GIADRO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccc(-c2cc[nH]n2)s1 ZINC000461466337 823642919 /nfs/dbraw/zinc/64/29/19/823642919.db2.gz IAVZKIFQAUJVGV-SFHVURJKSA-N 1 0 394.544 4.170 20 0 GIADRO O=C(CCc1cc(Cl)cc(Cl)c1)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000124989240 823643079 /nfs/dbraw/zinc/64/30/79/823643079.db2.gz UAYQZXDONUVDCY-UHFFFAOYSA-N 1 0 399.362 4.077 20 0 GIADRO COc1ccc(CSc2nnc(SCC[C@H]3CCC[N@@H+]3C)s2)cc1 ZINC000124992663 823643389 /nfs/dbraw/zinc/64/33/89/823643389.db2.gz WJJTVRPNNAQDCK-CQSZACIVSA-N 1 0 381.592 4.415 20 0 GIADRO COc1ccc2ccccc2c1CNC(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000062650913 823643565 /nfs/dbraw/zinc/64/35/65/823643565.db2.gz VAKDQIHWMPUAHW-QFIPXVFZSA-N 1 0 391.515 4.259 20 0 GIADRO CC(=O)c1ccc(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC000461473877 823644016 /nfs/dbraw/zinc/64/40/16/823644016.db2.gz ITLGLCLRNRCWGJ-IBGZPJMESA-N 1 0 382.479 4.060 20 0 GIADRO CN(C)C(=O)Cc1nc(C[N@@H+]2CCCC[C@H]2CCCc2ccccc2)cs1 ZINC000125007038 823644478 /nfs/dbraw/zinc/64/44/78/823644478.db2.gz MMLLHPPTWHBYIN-FQEVSTJZSA-N 1 0 385.577 4.151 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=S)N[C@@H](C)c3ccccc3)CC2)cc1 ZINC000062700146 823644946 /nfs/dbraw/zinc/64/49/46/823644946.db2.gz NYAAJEVZCCDSAL-SFHVURJKSA-N 1 0 397.588 4.133 20 0 GIADRO COc1cc(Cl)c(F)c(C(=O)Nc2cccc3c2OCC[C@@H]3[NH+](C)C)c1 ZINC000412315228 823645584 /nfs/dbraw/zinc/64/55/84/823645584.db2.gz XUZAUNFWVTYQOC-INIZCTEOSA-N 1 0 378.831 4.125 20 0 GIADRO CC[C@@H](C(=O)N1CCCCC[C@H]1c1noc(-c2ccccc2)n1)[NH+](CC)CC ZINC000461485846 823646406 /nfs/dbraw/zinc/64/64/06/823646406.db2.gz ALPOGQUPNCFHJR-OALUTQOASA-N 1 0 384.524 4.301 20 0 GIADRO Cc1ccc(Cc2ccccn2)cc1NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412326287 823646483 /nfs/dbraw/zinc/64/64/83/823646483.db2.gz CFCDLCRUWRUHGH-OAQYLSRUSA-N 1 0 395.572 4.137 20 0 GIADRO O=C(Nc1ccc2c(Cl)cccc2n1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412330169 823647058 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392.543 4.217 20 0 GIADRO O=C(CCOc1cccc(Cl)c1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000063080205 823650352 /nfs/dbraw/zinc/65/03/52/823650352.db2.gz STTGKQDBFBHSGI-UHFFFAOYSA-N 1 0 386.923 4.137 20 0 GIADRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)C1(c2ccc(Cl)cc2)CC1 ZINC000063080566 823650444 /nfs/dbraw/zinc/65/04/44/823650444.db2.gz WWNFARUUQAPNAA-UHFFFAOYSA-N 1 0 382.935 4.400 20 0 GIADRO COc1ccc(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)c2ccccc12 ZINC000063080832 823650515 /nfs/dbraw/zinc/65/05/15/823650515.db2.gz VRXXEDHVPSCKKC-UHFFFAOYSA-N 1 0 388.511 4.490 20 0 GIADRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)c1ccc(Br)s1 ZINC000063081306 823650749 /nfs/dbraw/zinc/65/07/49/823650749.db2.gz BOGLMVGOLOFFOJ-UHFFFAOYSA-N 1 0 393.350 4.153 20 0 GIADRO CCOC(=O)CC1CC[NH+](CCC(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000125101936 823651678 /nfs/dbraw/zinc/65/16/78/823651678.db2.gz YBSSZEKBNZCIPN-UHFFFAOYSA-N 1 0 394.515 4.347 20 0 GIADRO CC(C)(Cc1ccc(C(F)(F)F)cc1)[NH2+]Cc1cnc(N2CCOCC2)s1 ZINC000191132808 823652430 /nfs/dbraw/zinc/65/24/30/823652430.db2.gz LOQLDUOOARQXHQ-UHFFFAOYSA-N 1 0 399.482 4.109 20 0 GIADRO CCCOc1cccc(NC(=S)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000063148389 823652904 /nfs/dbraw/zinc/65/29/04/823652904.db2.gz HWQVPKGHJJZYEP-UHFFFAOYSA-N 1 0 383.561 4.426 20 0 GIADRO S=C(Nc1cccc(-c2cnco2)c1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000063150606 823653161 /nfs/dbraw/zinc/65/31/61/823653161.db2.gz GOKQNVIAVQJMRN-UHFFFAOYSA-N 1 0 392.528 4.293 20 0 GIADRO C[NH+]1CCC(NC(=S)NCC2(c3cccc(C(F)(F)F)c3)CCCC2)CC1 ZINC000063176120 823654143 /nfs/dbraw/zinc/65/41/43/823654143.db2.gz WAQVCZJCVSUGPS-UHFFFAOYSA-N 1 0 399.526 4.076 20 0 GIADRO CC(=O)c1ccc(NC(=S)NCC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000063179721 823654456 /nfs/dbraw/zinc/65/44/56/823654456.db2.gz VWSLYEISTSVVKY-UHFFFAOYSA-N 1 0 381.545 4.088 20 0 GIADRO CCc1ccc(Cl)c(CC)c1NC(=O)CCC[NH+]1[C@@H](C)CC(O)C[C@@H]1C ZINC000191169312 823655805 /nfs/dbraw/zinc/65/58/05/823655805.db2.gz RHADDVPUVUQMSB-GJZGRUSLSA-N 1 0 380.960 4.417 20 0 GIADRO CCO[C@H]1C[C@@H](NC(=O)C2CC[NH+](Cc3ccccc3)CC2)C12CCCCC2 ZINC000461549174 823657052 /nfs/dbraw/zinc/65/70/52/823657052.db2.gz VWARIVFRAOVQBE-YADHBBJMSA-N 1 0 384.564 4.143 20 0 GIADRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1ccc(C)c(NC(=O)c2ccccc2F)c1 ZINC000461550106 823657226 /nfs/dbraw/zinc/65/72/26/823657226.db2.gz ZINAFNWACWAWQL-KRWDZBQOSA-N 1 0 399.510 4.237 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1)c1csc(Cl)c1 ZINC000191184878 823657259 /nfs/dbraw/zinc/65/72/59/823657259.db2.gz XEFPYMADZDTMSI-QWHCGFSZSA-N 1 0 378.925 4.471 20 0 GIADRO Cc1c([C@@H](C)[NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)cnn1C(C)C ZINC000191191012 823657927 /nfs/dbraw/zinc/65/79/27/823657927.db2.gz WYLTVDYZJGTHFI-OAHLLOKOSA-N 1 0 376.495 4.366 20 0 GIADRO CC[C@@H]([NH2+][C@H](C)c1cnn(C(C)C)c1C)c1ccccc1OCC(=O)N(C)C ZINC000191190230 823657967 /nfs/dbraw/zinc/65/79/67/823657967.db2.gz DPHMXFVUGCCHOR-OXQOHEQNSA-N 1 0 386.540 4.041 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)[C@H]3[C@H](C=C(C)C)C3(C)C)CC2)cc1 ZINC000063263364 823658016 /nfs/dbraw/zinc/65/80/16/823658016.db2.gz GYNABDJCMOSFJN-FCHUYYIVSA-N 1 0 384.564 4.262 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)c3ccc(Cl)cc3F)CC2)cc1 ZINC000063263430 823658022 /nfs/dbraw/zinc/65/80/22/823658022.db2.gz WOBRZJQBLLACEL-UHFFFAOYSA-N 1 0 390.886 4.130 20 0 GIADRO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000063272743 823658648 /nfs/dbraw/zinc/65/86/48/823658648.db2.gz LFISDCSVWFBZEX-UHFFFAOYSA-N 1 0 386.927 4.115 20 0 GIADRO Cc1c([C@H](C)[NH2+]C[C@@H](O)COc2ccc(C(F)(F)F)cc2)cnn1C(C)(C)C ZINC000191208696 823659271 /nfs/dbraw/zinc/65/92/71/823659271.db2.gz KSYVPKCSEGGPRJ-XJKSGUPXSA-N 1 0 399.457 4.056 20 0 GIADRO Cc1c([C@@H](C)[NH2+]C[C@H](O)COc2cccc(C(F)(F)F)c2)cnn1C(C)(C)C ZINC000191209909 823659438 /nfs/dbraw/zinc/65/94/38/823659438.db2.gz QECITTMKGBEZJQ-CJNGLKHVSA-N 1 0 399.457 4.056 20 0 GIADRO CCc1cc(C)c(C(=O)Nc2cccc(NC(=O)CC[NH+]3CCCCC3)c2)o1 ZINC000125222834 823660209 /nfs/dbraw/zinc/66/02/09/823660209.db2.gz SBGPFSINTFUOLT-UHFFFAOYSA-N 1 0 383.492 4.217 20 0 GIADRO O=C(Nc1ccc(N2CCSCC2)cc1)c1cccc(C[NH+]2CCCC2)c1 ZINC000125226661 823660428 /nfs/dbraw/zinc/66/04/28/823660428.db2.gz GTQSTYYHQKTYOV-UHFFFAOYSA-N 1 0 381.545 4.088 20 0 GIADRO Cc1c([C@H](C)[NH2+]Cc2ccc(Cn3ccccc3=O)cc2)cnn1C(C)(C)C ZINC000191226518 823661005 /nfs/dbraw/zinc/66/10/05/823661005.db2.gz IYDHLVQPHCWZII-KRWDZBQOSA-N 1 0 378.520 4.007 20 0 GIADRO C[C@H](c1cc(F)ccc1F)[NH+]1CCC(C(=O)NCCc2cccs2)CC1 ZINC000063301004 823661077 /nfs/dbraw/zinc/66/10/77/823661077.db2.gz ULYIFQCUNBGGFP-CQSZACIVSA-N 1 0 378.488 4.158 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)CSc1ccc(Cl)cc1 ZINC000412560010 823662202 /nfs/dbraw/zinc/66/22/02/823662202.db2.gz AFJDBSQIIRFPOW-UHFFFAOYSA-N 1 0 394.924 4.020 20 0 GIADRO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@H]1CC[C@@H](C)c2ccccc21 ZINC000125251492 823662454 /nfs/dbraw/zinc/66/24/54/823662454.db2.gz XQTOJCVFKXYUQH-VGSWGCGISA-N 1 0 386.561 4.243 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)Cc1cc(Cl)ccc1Cl ZINC000412561511 823662569 /nfs/dbraw/zinc/66/25/69/823662569.db2.gz FCOUOPOWHAYAAA-UHFFFAOYSA-N 1 0 397.302 4.124 20 0 GIADRO CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000412561458 823662599 /nfs/dbraw/zinc/66/25/99/823662599.db2.gz UGXVPIFZJNWFAF-AWEZNQCLSA-N 1 0 383.471 4.164 20 0 GIADRO CC(C)S(=O)(=O)CCC[NH2+]C1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000191246805 823662899 /nfs/dbraw/zinc/66/28/99/823662899.db2.gz OIYVGABRXMTNBD-UHFFFAOYSA-N 1 0 383.863 4.151 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000412567952 823663127 /nfs/dbraw/zinc/66/31/27/823663127.db2.gz FSFXIIYOAHGZOQ-ZWKOTPCHSA-N 1 0 388.895 4.031 20 0 GIADRO COc1cc(C)c(Br)cc1C(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000412571262 823663412 /nfs/dbraw/zinc/66/34/12/823663412.db2.gz JLQAUBYDJDVBHB-UHFFFAOYSA-N 1 0 395.272 4.219 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)c1ccc(C(F)(F)F)cc1C ZINC000412571965 823663655 /nfs/dbraw/zinc/66/36/55/823663655.db2.gz LIBRDSHMQXXWQQ-UHFFFAOYSA-N 1 0 396.409 4.215 20 0 GIADRO Cc1ccccc1OCCCN(C)C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000063333868 823663615 /nfs/dbraw/zinc/66/36/15/823663615.db2.gz LSUQBQWUHYCGCF-UHFFFAOYSA-N 1 0 387.568 4.060 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)[C@H](C)Cc1ccccc1Cl ZINC000412574748 823663746 /nfs/dbraw/zinc/66/37/46/823663746.db2.gz OLTVJXUZLQAFQB-OAHLLOKOSA-N 1 0 390.911 4.106 20 0 GIADRO COc1ccc(Cl)cc1N1CC[C@@H]([NH2+][C@H](C)c2cnn(C(C)C)c2C)C1 ZINC000191255826 823664052 /nfs/dbraw/zinc/66/40/52/823664052.db2.gz NMRABKKXRUETNO-RHSMWYFYSA-N 1 0 376.932 4.364 20 0 GIADRO Cc1ccc(C(=O)Nc2ccc(C(=O)N(C)[C@H]3CCC[N@H+](C)C3)cc2)c(Cl)c1 ZINC000191261849 823664797 /nfs/dbraw/zinc/66/47/97/823664797.db2.gz XRMAZLBABRLSBR-SFHVURJKSA-N 1 0 399.922 4.067 20 0 GIADRO Cc1cccc(NC(=S)NN=C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1C ZINC000063357808 823665428 /nfs/dbraw/zinc/66/54/28/823665428.db2.gz MCUPKCVIUIVXOZ-UHFFFAOYSA-N 1 0 391.544 4.114 20 0 GIADRO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@@H](C)c1csc(Cl)c1 ZINC000191267850 823665445 /nfs/dbraw/zinc/66/54/45/823665445.db2.gz XSFIUMFKQPDDEA-ZDUSSCGKSA-N 1 0 386.970 4.080 20 0 GIADRO COCCN(C)c1ccc(C[NH2+]Cc2cc(-c3ccc(OC)cc3)cs2)cn1 ZINC000191271131 823665949 /nfs/dbraw/zinc/66/59/49/823665949.db2.gz GSEQGVCHKODTMU-UHFFFAOYSA-N 1 0 397.544 4.191 20 0 GIADRO Cc1ccc(CN(Cc2ccco2)C(=O)NC2CCC(C[NH+](C)C)CC2)s1 ZINC000125303140 823666430 /nfs/dbraw/zinc/66/64/30/823666430.db2.gz YQDKOQXYQBAEAL-UHFFFAOYSA-N 1 0 389.565 4.482 20 0 GIADRO Cc1c([C@@H](C)[NH2+][C@H]2CCCN(Cc3c(F)cccc3F)C2)cnn1C(C)C ZINC000191279073 823666788 /nfs/dbraw/zinc/66/67/88/823666788.db2.gz IBHIAJRUUJTJDH-WBVHZDCISA-N 1 0 376.495 4.366 20 0 GIADRO Cc1nc(CN2CCC(C[NH2+][C@@H](C)c3cnn(C(C)(C)C)c3C)CC2)oc1C ZINC000191281623 823667093 /nfs/dbraw/zinc/66/70/93/823667093.db2.gz HOBVTSVOMMBAEU-INIZCTEOSA-N 1 0 387.572 4.114 20 0 GIADRO COc1cc(Cl)c(Cl)cc1NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000191283492 823667271 /nfs/dbraw/zinc/66/72/71/823667271.db2.gz FKPSGKWIJUWGNJ-SJKOYZFVSA-N 1 0 398.334 4.483 20 0 GIADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)NCc2ccc(Cl)cc2Cl)CC1 ZINC000125325926 823668272 /nfs/dbraw/zinc/66/82/72/823668272.db2.gz UUFJBJQBEZTNRK-UHFFFAOYSA-N 1 0 396.318 4.392 20 0 GIADRO COc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000125412068 823674241 /nfs/dbraw/zinc/67/42/41/823674241.db2.gz JQOPLPVIUNTEOA-ILXRZTDVSA-N 1 0 392.446 4.213 20 0 GIADRO CC[C@H](C)Sc1ccc(NC(=O)Nc2ccn(CC[NH+](C)C)n2)c(C)c1 ZINC000191345610 823674417 /nfs/dbraw/zinc/67/44/17/823674417.db2.gz KVNKPRMUCDKQAG-HNNXBMFYSA-N 1 0 375.542 4.288 20 0 GIADRO C[N@@H+](Cc1ccc(Cl)s1)C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000063482792 823675406 /nfs/dbraw/zinc/67/54/06/823675406.db2.gz VCVFUIJENIILLS-LBPRGKRZSA-N 1 0 379.831 4.292 20 0 GIADRO COc1ccc(-c2csc(NC(=O)C[N@H+](CC(C)C)C(C)C)n2)c(OC)c1 ZINC000063495965 823676052 /nfs/dbraw/zinc/67/60/52/823676052.db2.gz VVUCLCCEMFVSSW-UHFFFAOYSA-N 1 0 391.537 4.132 20 0 GIADRO CCC1(CC)[C@@H]([NH2+]Cc2csc(CC(=O)Nc3ccccc3)n2)C[C@@H]1OC ZINC000191362359 823676593 /nfs/dbraw/zinc/67/65/93/823676593.db2.gz JQECYLIYHHYGIA-ROUUACIJSA-N 1 0 387.549 4.008 20 0 GIADRO COC(=O)c1ccc(C)c(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cc3ccccc3o2)c1 ZINC000191364155 823676771 /nfs/dbraw/zinc/67/67/71/823676771.db2.gz WSFADGRPAWVFNB-GJZGRUSLSA-N 1 0 380.444 4.206 20 0 GIADRO CC[C@@H](C(=O)N(CC)[C@H](c1cccnc1)c1ccc(F)c(F)c1)[NH+](CC)CC ZINC000461664234 823677336 /nfs/dbraw/zinc/67/73/36/823677336.db2.gz RDRKHQBWUGXZRS-SFTDATJTSA-N 1 0 389.490 4.418 20 0 GIADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)C1 ZINC000063530122 823677833 /nfs/dbraw/zinc/67/78/33/823677833.db2.gz UYAXBSZKRDWYQY-INIZCTEOSA-N 1 0 384.907 4.031 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)Nc2cccc([C@@H]3CCC(=O)N3)c2)cc1)C(C)C ZINC000412724440 823677960 /nfs/dbraw/zinc/67/79/60/823677960.db2.gz FKAIQDUIFVXURV-NRFANRHFSA-N 1 0 379.504 4.120 20 0 GIADRO Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000461670985 823678656 /nfs/dbraw/zinc/67/86/56/823678656.db2.gz XITYERAUSJLBSP-NSHDSACASA-N 1 0 387.471 4.330 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@H](CO)c2cccc(Br)c2)cnn1C(C)(C)C ZINC000191382510 823678756 /nfs/dbraw/zinc/67/87/56/823678756.db2.gz MQROZTXQONAUDV-YVEFUNNKSA-N 1 0 380.330 4.093 20 0 GIADRO Cc1c([C@@H](C)[NH2+][C@@H](CO)c2cccc(Br)c2)cnn1C(C)(C)C ZINC000191382466 823678766 /nfs/dbraw/zinc/67/87/66/823678766.db2.gz MQROZTXQONAUDV-PXAZEXFGSA-N 1 0 380.330 4.093 20 0 GIADRO CCC1(CC)[C@H]([NH2+]Cc2nnc(-c3ccc(Br)o3)o2)[C@H](C)[C@@H]1OC ZINC000191395009 823680306 /nfs/dbraw/zinc/68/03/06/823680306.db2.gz RPLIRLRMDLTNBH-VQISRLSMSA-N 1 0 398.301 4.021 20 0 GIADRO Cc1ccc([C@H](OC[C@H](O)C[N@@H+](C(C)C)C2CCOCC2)c2ccccc2)cc1 ZINC000125490534 823680441 /nfs/dbraw/zinc/68/04/41/823680441.db2.gz YVQSYQOJXWCVRV-JWQCQUIFSA-N 1 0 397.559 4.351 20 0 GIADRO CC[C@@H](C(=O)N1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1)[NH+](CC)CC ZINC000461682670 823680468 /nfs/dbraw/zinc/68/04/68/823680468.db2.gz OROUSSYRXLTUSM-PMACEKPBSA-N 1 0 386.515 4.390 20 0 GIADRO CCCOc1ncccc1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000063579033 823680724 /nfs/dbraw/zinc/68/07/24/823680724.db2.gz BRXSSAMYSYSVPK-UHFFFAOYSA-N 1 0 399.498 4.408 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)cnn1C(C)C ZINC000191401663 823681100 /nfs/dbraw/zinc/68/11/00/823681100.db2.gz NBTAZLLQLRFTEG-KPZWWZAWSA-N 1 0 378.879 4.021 20 0 GIADRO CCCN(CCC[NH+](C)C)C(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000191401906 823681314 /nfs/dbraw/zinc/68/13/14/823681314.db2.gz XJBUCBXGCOFPQX-UHFFFAOYSA-N 1 0 378.517 4.229 20 0 GIADRO CC[N@H+](CCC1CCN(C(=O)N[C@H]2c3ccccc3O[C@H]2C)CC1)CC1CC1 ZINC000461687974 823681604 /nfs/dbraw/zinc/68/16/04/823681604.db2.gz XCBGFIFMOVHLGD-HTAPYJJXSA-N 1 0 385.552 4.052 20 0 GIADRO COc1ccccc1NC(=O)c1ccc(NC(=O)CC[N@H+](C)[C@@H](C)C2CC2)cc1 ZINC000063615516 823683301 /nfs/dbraw/zinc/68/33/01/823683301.db2.gz DYMLWJRWYFWKJU-INIZCTEOSA-N 1 0 395.503 4.006 20 0 GIADRO O[C@@H](C[N@H+](Cc1ccc(Br)o1)Cc1ccccc1)c1ccco1 ZINC000191432682 823684545 /nfs/dbraw/zinc/68/45/45/823684545.db2.gz UEABCXHGYZUFIJ-INIZCTEOSA-N 1 0 376.250 4.371 20 0 GIADRO COC(=O)[C@H](C)c1ccc(NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000412811265 823684662 /nfs/dbraw/zinc/68/46/62/823684662.db2.gz LBZCRWKHYPSNRZ-GOSISDBHSA-N 1 0 394.515 4.204 20 0 GIADRO C[C@@H](NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)C(C)(C)C[NH+](C)C ZINC000461707660 823685092 /nfs/dbraw/zinc/68/50/92/823685092.db2.gz NBKHFIVQYUKXAB-GOSISDBHSA-N 1 0 390.531 4.245 20 0 GIADRO Cc1ccc(N2CCC[C@H]([NH2+]C3CCC4(CC3)c3ccccc3NC4=O)C2)cc1 ZINC000125580875 823687101 /nfs/dbraw/zinc/68/71/01/823687101.db2.gz BVHJUYUPEBCDHR-CMAULLTDSA-N 1 0 389.543 4.386 20 0 GIADRO COc1cc(C)c([C@H](C)[NH2+]C[C@H](O)c2ccc(OC(F)(F)F)cc2)cc1OC ZINC000125582901 823687342 /nfs/dbraw/zinc/68/73/42/823687342.db2.gz WFXKWMCLFAQNMW-GUYCJALGSA-N 1 0 399.409 4.295 20 0 GIADRO CCCN(CC[NH+](CC)CC)C(=O)[C@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000461732590 823688874 /nfs/dbraw/zinc/68/88/74/823688874.db2.gz ZIOHJFDDSTXCDH-FQEVSTJZSA-N 1 0 388.600 4.074 20 0 GIADRO COc1ccc(C[NH2+][C@@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)cc1OC(F)F ZINC000125600875 823688887 /nfs/dbraw/zinc/68/88/87/823688887.db2.gz UNYAGLJJHNQIPX-LBPRGKRZSA-N 1 0 390.430 4.377 20 0 GIADRO CCCn1ccnc1CCC[N@H+](C)Cc1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000191481508 823689506 /nfs/dbraw/zinc/68/95/06/823689506.db2.gz GPXOUXNWNBIRRE-UHFFFAOYSA-N 1 0 395.526 4.171 20 0 GIADRO Cc1cc(/C=C(/C#N)C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)c(C)n1CCC(C)C ZINC000063693744 823689832 /nfs/dbraw/zinc/68/98/32/823689832.db2.gz QAAXHUVBWVWVKY-SGMQAHBGSA-N 1 0 398.595 4.295 20 0 GIADRO CCCCOc1ccc(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)cc1OCC ZINC000063710586 823690281 /nfs/dbraw/zinc/69/02/81/823690281.db2.gz WPQSXFUCFURADC-GOSISDBHSA-N 1 0 376.541 4.114 20 0 GIADRO CCc1nc2c(s1)[C@H]([NH2+]C[C@@H](O)c1ccc(OC(F)(F)F)cc1)CCC2 ZINC000125628402 823691359 /nfs/dbraw/zinc/69/13/59/823691359.db2.gz MOAREQSFZIKTBL-UKRRQHHQSA-N 1 0 386.439 4.305 20 0 GIADRO C[C@@H](NC(=O)NC1CC[NH+](C2CC2)CC1)[C@H](C)c1ccccc1C(F)(F)F ZINC000125630380 823691438 /nfs/dbraw/zinc/69/14/38/823691438.db2.gz ABJWCJGDIHNKSX-UONOGXRCSA-N 1 0 383.458 4.123 20 0 GIADRO CCOc1ccc(Nc2ncccc2C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cc1 ZINC000063723597 823691672 /nfs/dbraw/zinc/69/16/72/823691672.db2.gz GLTXOOCVSCJGDT-UHFFFAOYSA-N 1 0 396.535 4.170 20 0 GIADRO CCc1ccc([C@@H](CNC(=O)c2sc(C(F)(F)F)nc2C)[NH+](C)C)cc1 ZINC000461750537 823691680 /nfs/dbraw/zinc/69/16/80/823691680.db2.gz PNKSXHZDRBMIFL-CQSZACIVSA-N 1 0 385.455 4.065 20 0 GIADRO CCC(CC)C(=O)N1CCC([NH2+][C@@H]2CCSc3ccc(OC)cc32)CC1 ZINC000191498346 823691796 /nfs/dbraw/zinc/69/17/96/823691796.db2.gz VSXQINYRRPTYIU-LJQANCHMSA-N 1 0 376.566 4.249 20 0 GIADRO CCC[NH+]1CCC(NC(=O)C[C@@H](C)c2ccc(F)c(Br)c2)CC1 ZINC000461753836 823692043 /nfs/dbraw/zinc/69/20/43/823692043.db2.gz XYIZVJRKYBOVMR-CYBMUJFWSA-N 1 0 385.321 4.072 20 0 GIADRO CCSc1cc(Cl)ccc1C(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000461759557 823692753 /nfs/dbraw/zinc/69/27/53/823692753.db2.gz QDBUIYDTEYABDP-QGZVFWFLSA-N 1 0 396.984 4.169 20 0 GIADRO CCOC(=O)c1sc2nc(C)nc(NC[C@H]3CCC[N@@H+](C(C)C)C3)c2c1C ZINC000063738918 823692854 /nfs/dbraw/zinc/69/28/54/823692854.db2.gz JLMFDDHCOQGYNX-OAHLLOKOSA-N 1 0 390.553 4.017 20 0 GIADRO CCCn1ccnc1CCC[N@H+](C)CC(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000191505427 823692883 /nfs/dbraw/zinc/69/28/83/823692883.db2.gz RMNOJBNJDMGTOL-IBGZPJMESA-N 1 0 392.547 4.188 20 0 GIADRO Cc1nn(C)c(C)c1C[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000191506895 823693064 /nfs/dbraw/zinc/69/30/64/823693064.db2.gz JGHNYIABEYMVLT-LJQANCHMSA-N 1 0 392.341 4.057 20 0 GIADRO COc1ccc2[nH]cc(C3CC[NH+](Cc4ccc(OC(C)=O)cc4)CC3)c2c1 ZINC000125648567 823693206 /nfs/dbraw/zinc/69/32/06/823693206.db2.gz NCSXHHSNZZLAKU-UHFFFAOYSA-N 1 0 378.472 4.481 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NC[C@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000461766760 823693313 /nfs/dbraw/zinc/69/33/13/823693313.db2.gz XYADHWNHVYTIFT-OHUMZHCVSA-N 1 0 399.579 4.203 20 0 GIADRO CCOC(=O)CCC[NH+]1CCC(c2nc(-c3ccccc3OC)cs2)CC1 ZINC000191512521 823693802 /nfs/dbraw/zinc/69/38/02/823693802.db2.gz GBAGXAJOKKZRPZ-UHFFFAOYSA-N 1 0 388.533 4.341 20 0 GIADRO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1ccc(Br)cc1Cl ZINC000063771165 823694566 /nfs/dbraw/zinc/69/45/66/823694566.db2.gz XUQCOKGBTHBOCV-UHFFFAOYSA-N 1 0 387.749 4.439 20 0 GIADRO Cc1ccc(-c2cnc(CCC(=O)N(C)CC[N@H+](C)C3CCCCC3)o2)cc1 ZINC000063771653 823694740 /nfs/dbraw/zinc/69/47/40/823694740.db2.gz XUKZJCUZMBBTBC-UHFFFAOYSA-N 1 0 383.536 4.306 20 0 GIADRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C)nc2-n2cc(Cl)cn2)cc1 ZINC000191527613 823695795 /nfs/dbraw/zinc/69/57/95/823695795.db2.gz JODHOZCXVHDJNW-MRXNPFEDSA-N 1 0 380.879 4.092 20 0 GIADRO CC[C@H]([NH2+]Cc1ccc(C)nc1-n1cc(Cl)cn1)c1ccc2c(c1)OCCO2 ZINC000191529161 823695922 /nfs/dbraw/zinc/69/59/22/823695922.db2.gz QOMAYFUBYYDSAF-SFHVURJKSA-N 1 0 398.894 4.241 20 0 GIADRO COc1ccc(C(C)(C)CNC(=O)NCc2ccccc2C[N@H+](C)C(C)C)cc1 ZINC000063788312 823696069 /nfs/dbraw/zinc/69/60/69/823696069.db2.gz QGTLRSNBBBDBPE-UHFFFAOYSA-N 1 0 397.563 4.312 20 0 GIADRO CC[C@H]([NH2+]Cc1ccc(C)nc1-n1cc(Cl)cn1)c1ccc2c(c1)CCO2 ZINC000191532592 823696505 /nfs/dbraw/zinc/69/65/05/823696505.db2.gz YVSXMPTVUAXZTK-IBGZPJMESA-N 1 0 382.895 4.405 20 0 GIADRO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+][C@@H](C)Cc1ccc(Br)cc1 ZINC000191537270 823697132 /nfs/dbraw/zinc/69/71/32/823697132.db2.gz GGJWWURJWIQCSF-WBAXXEDZSA-N 1 0 392.341 4.106 20 0 GIADRO Cc1cc(C)c(CNC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)c(C)c1 ZINC000063798492 823697806 /nfs/dbraw/zinc/69/78/06/823697806.db2.gz ZEUQNAZOVFMRQV-UHFFFAOYSA-N 1 0 383.511 4.215 20 0 GIADRO COc1ccccc1NC(=O)C[C@@H](C)[NH2+]Cc1cccc(C)c1Br ZINC000191542345 823697942 /nfs/dbraw/zinc/69/79/42/823697942.db2.gz KVFIFHQLGBNDFX-CQSZACIVSA-N 1 0 391.309 4.273 20 0 GIADRO Cc1noc(C)c1CN(C)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000063799354 823697966 /nfs/dbraw/zinc/69/79/66/823697966.db2.gz GRCZQPUDTWYZRL-UHFFFAOYSA-N 1 0 384.524 4.009 20 0 GIADRO COc1ccc(Cc2nnc(SC[C@H]3CCCC[N@@H+]3C(C)C)o2)cc1OC ZINC000412990857 823698559 /nfs/dbraw/zinc/69/85/59/823698559.db2.gz HAXYUNWSIRHPMW-MRXNPFEDSA-N 1 0 391.537 4.033 20 0 GIADRO O=c1cc(CSCc2ccc(C[NH+]3CCCCC3)cc2)nc2ccccn12 ZINC000412992611 823698676 /nfs/dbraw/zinc/69/86/76/823698676.db2.gz MWZCMPBFYXJBND-UHFFFAOYSA-N 1 0 379.529 4.114 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccccc1C(=O)c1cccs1 ZINC000063822218 823699529 /nfs/dbraw/zinc/69/95/29/823699529.db2.gz ADNTYBFTOBDDGL-KRWDZBQOSA-N 1 0 384.545 4.364 20 0 GIADRO CCOC(=O)c1csc(CC[NH2+][C@@H](C)c2ccc(OC)c3ccccc32)n1 ZINC000191560978 823699800 /nfs/dbraw/zinc/69/98/00/823699800.db2.gz WLNXSXMIPGLWEJ-AWEZNQCLSA-N 1 0 384.501 4.375 20 0 GIADRO CCOC(=O)c1csc(CC[NH2+][C@H](C)c2cc(C)ccc2OC(F)F)n1 ZINC000191564393 823700333 /nfs/dbraw/zinc/70/03/33/823700333.db2.gz GNPGPIDDNJTGEV-GFCCVEGCSA-N 1 0 384.448 4.123 20 0 GIADRO O=C(CSc1cccc(Br)c1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000163299949 823700397 /nfs/dbraw/zinc/70/03/97/823700397.db2.gz RGFIDMOFMJXHFO-MRXNPFEDSA-N 1 0 397.382 4.018 20 0 GIADRO COc1cc2[nH+]ccc(N3CCC(C(=O)Nc4ccccc4)CC3)c2cc1OC ZINC000413035650 823700700 /nfs/dbraw/zinc/70/07/00/823700700.db2.gz PAWROMWMAHMNQC-UHFFFAOYSA-N 1 0 391.471 4.107 20 0 GIADRO CCOC(=O)c1csc(CC[NH2+][C@H](C)[C@H](C)c2nc3ccccc3s2)n1 ZINC000191565884 823700897 /nfs/dbraw/zinc/70/08/97/823700897.db2.gz ODUJGWPEHRIBTG-QWHCGFSZSA-N 1 0 389.546 4.254 20 0 GIADRO CC[C@@H](CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)CC(F)(F)F ZINC000413043964 823701269 /nfs/dbraw/zinc/70/12/69/823701269.db2.gz CYZSLVBBKPLIRP-KGLIPLIRSA-N 1 0 377.476 4.163 20 0 GIADRO c1csc(-c2noc(CCC[NH+]3CCC(OCCc4ccccc4)CC3)n2)c1 ZINC000125736311 823702204 /nfs/dbraw/zinc/70/22/04/823702204.db2.gz MZRFWBPOEPPJDK-UHFFFAOYSA-N 1 0 397.544 4.454 20 0 GIADRO CCOC(=O)c1csc(C2CC[NH+](Cc3cccc(OC(C)C)c3)CC2)n1 ZINC000191572320 823702338 /nfs/dbraw/zinc/70/23/38/823702338.db2.gz XMKPWVVEEZIDRQ-UHFFFAOYSA-N 1 0 388.533 4.487 20 0 GIADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCCO[C@H](C)c1ccccc1 ZINC000163353356 823703386 /nfs/dbraw/zinc/70/33/86/823703386.db2.gz IJTVYLJGQXOWAO-HZPDHXFCSA-N 1 0 375.900 4.210 20 0 GIADRO CC(C)[C@H]1N(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC12CCOCC2 ZINC000413072665 823703424 /nfs/dbraw/zinc/70/34/24/823703424.db2.gz HJWGQDWTQZWNLQ-JOCHJYFZSA-N 1 0 399.579 4.019 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000125752991 823704413 /nfs/dbraw/zinc/70/44/13/823704413.db2.gz SKUXGARVTASUNR-GCJKJVERSA-N 1 0 398.526 4.264 20 0 GIADRO CCc1cccc2c(CC(=O)Nc3cccc4c3OCC[C@H]4[NH+](C)C)c[nH]c21 ZINC000574337008 823704494 /nfs/dbraw/zinc/70/44/94/823704494.db2.gz KTQQMVCQWATYAH-HXUWFJFHSA-N 1 0 377.488 4.297 20 0 GIADRO CCc1cccc2c(CC(=O)Nc3cccc4c3OCC[C@@H]4[NH+](C)C)c[nH]c21 ZINC000574337006 823704502 /nfs/dbraw/zinc/70/45/02/823704502.db2.gz KTQQMVCQWATYAH-FQEVSTJZSA-N 1 0 377.488 4.297 20 0 GIADRO C[C@@H]1C[C@@H](CCNC(=O)c2cnccc2C(F)(F)F)C[N@@H+]1Cc1ccccc1 ZINC000574336671 823704519 /nfs/dbraw/zinc/70/45/19/823704519.db2.gz HVHXIHMZEDHZSM-NVXWUHKLSA-N 1 0 391.437 4.131 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCSC2(CCC2)CC1 ZINC000413085914 823704963 /nfs/dbraw/zinc/70/49/63/823704963.db2.gz WXGLDOBXPHJHSH-UHFFFAOYSA-N 1 0 375.582 4.100 20 0 GIADRO C[C@H]1CC(CC[NH2+]CC2=Cc3cc(Br)ccc3OC2)C[C@H](C)O1 ZINC000574341900 823705111 /nfs/dbraw/zinc/70/51/11/823705111.db2.gz LLIBMJKTIKRQOQ-KBPBESRZSA-N 1 0 380.326 4.408 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CCCO[C@H](C)c2ccccc2)cc1 ZINC000163381377 823705282 /nfs/dbraw/zinc/70/52/82/823705282.db2.gz DFTLXTMVXQIEJB-QZTJIDSGSA-N 1 0 390.549 4.267 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)N2CCSC3(CCC3)CC2)c1 ZINC000413094250 823706089 /nfs/dbraw/zinc/70/60/89/823706089.db2.gz PUCCEADXGAOMCS-UHFFFAOYSA-N 1 0 375.582 4.100 20 0 GIADRO C[C@H]1CN(C(=O)c2ccccc2C(=O)c2ccc(F)cc2)CC[N@@H+](C2CCC2)C1 ZINC000574347618 823706185 /nfs/dbraw/zinc/70/61/85/823706185.db2.gz ZRNOWDBFCFHWNQ-QGZVFWFLSA-N 1 0 394.490 4.003 20 0 GIADRO O=C1[C@H]([NH+]2CCC(c3c[nH]c4cc(F)ccc43)CC2)CCCN1CC(F)(F)F ZINC000163438300 823709135 /nfs/dbraw/zinc/70/91/35/823709135.db2.gz TXTFXKYNUXOQNA-GOSISDBHSA-N 1 0 397.416 4.040 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(NC(=O)C2CC2)cc1)c1ccccc1 ZINC000125782920 823709295 /nfs/dbraw/zinc/70/92/95/823709295.db2.gz LELVTCVELYGDJZ-NRFANRHFSA-N 1 0 394.519 4.240 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)N1CC2(CCOCC2)[C@H]1c1ccccc1)C1CCCCC1 ZINC000413113568 823709494 /nfs/dbraw/zinc/70/94/94/823709494.db2.gz WOOHYIBDZOCHPH-FGZHOGPDSA-N 1 0 399.579 4.060 20 0 GIADRO Cc1ccc(-c2n[nH]cc2CNc2cccc(N3CC[NH+](C(C)C)CC3)c2)o1 ZINC000125785526 823709903 /nfs/dbraw/zinc/70/99/03/823709903.db2.gz QWBUNDGKBRGWLV-UHFFFAOYSA-N 1 0 379.508 4.121 20 0 GIADRO Cc1c([C@@H](C)[NH2+]CCCOC[C@@H]2CCCO2)cnn1-c1cccc(Cl)c1 ZINC000163464741 823712164 /nfs/dbraw/zinc/71/21/64/823712164.db2.gz PZSATRUQNCKGHR-BEFAXECRSA-N 1 0 377.916 4.070 20 0 GIADRO CC[C@@H](C)n1ncc(C(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)c1C1CC1 ZINC000125796797 823712422 /nfs/dbraw/zinc/71/24/22/823712422.db2.gz TWIPLGLFMBMQBI-BEFAXECRSA-N 1 0 384.524 4.200 20 0 GIADRO CC(C)C[C@H](CNC(=O)N(C)Cc1cccc(O)c1)[NH2+][C@H](C)c1ccccc1 ZINC000574376978 823713516 /nfs/dbraw/zinc/71/35/16/823713516.db2.gz SQSPZAQFTMAWFN-WIYYLYMNSA-N 1 0 383.536 4.299 20 0 GIADRO C[C@H](CNC(=O)c1ccc(N2CCc3ccccc3C2)cc1)[N@@H+]1CCCC[C@H]1C ZINC000063930168 823714349 /nfs/dbraw/zinc/71/43/49/823714349.db2.gz GKGSUJBJNWEZSN-WOJBJXKFSA-N 1 0 391.559 4.242 20 0 GIADRO CCCOc1ccc(C[NH2+]C2CCN(C(=O)c3ccccc3)CC2)cc1OCC ZINC000191622621 823716988 /nfs/dbraw/zinc/71/69/88/823716988.db2.gz BATPDZBARYNJTC-UHFFFAOYSA-N 1 0 396.531 4.269 20 0 GIADRO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CCN1CCc2ccccc2C1=O ZINC000191628365 823718208 /nfs/dbraw/zinc/71/82/08/823718208.db2.gz ZKXFWVIDEIQJJP-CVEARBPZSA-N 1 0 379.529 4.076 20 0 GIADRO CC[N@H+](CCCCn1ccnc1C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000163550119 823720439 /nfs/dbraw/zinc/72/04/39/823720439.db2.gz GRWNWVBTDPJFSU-UHFFFAOYSA-N 1 0 383.323 4.239 20 0 GIADRO Cc1ocnc1C(=O)OC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000125826883 823721304 /nfs/dbraw/zinc/72/13/04/823721304.db2.gz UGFNSHXTUSQNGV-RHSMWYFYSA-N 1 0 382.382 4.242 20 0 GIADRO C[N@H+](CCCNC(=O)Nc1ccc(NC(=O)c2ccco2)cc1)C1CCCCC1 ZINC000125830943 823722394 /nfs/dbraw/zinc/72/23/94/823722394.db2.gz POWUOERUOQWUTP-UHFFFAOYSA-N 1 0 398.507 4.308 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1ccc(SC(F)F)cc1 ZINC000125830060 823722406 /nfs/dbraw/zinc/72/24/06/823722406.db2.gz CGQAGFISNBJUKZ-CYBMUJFWSA-N 1 0 385.501 4.397 20 0 GIADRO C[C@H](C(=O)Nc1ccc(OC(F)F)cc1OC(F)F)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000413179461 823722416 /nfs/dbraw/zinc/72/24/16/823722416.db2.gz UUGMHBLWNIODCX-OUAUKWLOSA-N 1 0 378.366 4.089 20 0 GIADRO Cc1cccc2c(CCC(=O)NC[C@@H]3C[NH2+]CC[C@@H]3c3ccc(F)cc3)c[nH]c21 ZINC000574409755 823722446 /nfs/dbraw/zinc/72/24/46/823722446.db2.gz VWDVZRRCGNPALD-PZJWPPBQSA-N 1 0 393.506 4.058 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1cc(OC)cc(Cl)c1F ZINC000413184035 823723508 /nfs/dbraw/zinc/72/35/08/823723508.db2.gz NAJNSARPUIWFJY-UHFFFAOYSA-N 1 0 394.874 4.461 20 0 GIADRO COc1ccc(-c2nc(C[N@@H+]3CCC[C@]3(CO)CC(C)C)cs2)c(OC)c1 ZINC000191649776 823724183 /nfs/dbraw/zinc/72/41/83/823724183.db2.gz DLUAZIJVXGTOCG-OAQYLSRUSA-N 1 0 390.549 4.200 20 0 GIADRO Cn1ccnc1COc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)cc1 ZINC000191659711 823725576 /nfs/dbraw/zinc/72/55/76/823725576.db2.gz WMJWANKEHQEXCO-KRWDZBQOSA-N 1 0 381.442 4.410 20 0 GIADRO COc1cc(C[N@@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)ccc1OC(=O)C1CC1 ZINC000191663164 823726655 /nfs/dbraw/zinc/72/66/55/823726655.db2.gz VJFLQRHJJLJSFX-KRWDZBQOSA-N 1 0 385.426 4.421 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)N1CCC[C@H]1c1nc2ccccc2s1)c1ccccc1 ZINC000125845150 823726739 /nfs/dbraw/zinc/72/67/39/823726739.db2.gz VPLQOYMNLNYUAH-RBUKOAKNSA-N 1 0 394.544 4.446 20 0 GIADRO Cc1ccc(C[NH2+][C@H](CN2CCCC2=O)c2ccccc2)cc1Br ZINC000163594760 823726736 /nfs/dbraw/zinc/72/67/36/823726736.db2.gz AUDBUKNTDCTLFR-LJQANCHMSA-N 1 0 387.321 4.211 20 0 GIADRO C[C@@H]1CCN(C(=O)C[N@H+](C)[C@@H]2CCSC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000163611419 823727668 /nfs/dbraw/zinc/72/76/68/823727668.db2.gz JHTWHDPRFWJPMT-QBIMZIAESA-N 1 0 386.483 4.052 20 0 GIADRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)N1CCSC2(CCC2)CC1 ZINC000413209750 823728432 /nfs/dbraw/zinc/72/84/32/823728432.db2.gz UTXSTWCVUMPSKX-UHFFFAOYSA-N 1 0 393.622 4.031 20 0 GIADRO Cc1ccc(-c2noc(CCC[NH+]3CCC(c4ccncc4)CC3)n2)cc1F ZINC000191672056 823728595 /nfs/dbraw/zinc/72/85/95/823728595.db2.gz ARTWXWHLJNWCFZ-UHFFFAOYSA-N 1 0 380.467 4.391 20 0 GIADRO C[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ncc(-c2ccccc2)o1 ZINC000125854098 823729366 /nfs/dbraw/zinc/72/93/66/823729366.db2.gz XNZINEMNHBOXLR-NQIIRXRSSA-N 1 0 389.499 4.431 20 0 GIADRO COc1ccc(C[NH2+]Cc2ccc(C)c(Br)c2)c(OC)c1OC ZINC000163635892 823730388 /nfs/dbraw/zinc/73/03/88/823730388.db2.gz ZCGFSFYPCXHHDN-UHFFFAOYSA-N 1 0 380.282 4.073 20 0 GIADRO Fc1ccc(OC2CC[NH+](Cc3ccccc3OCc3cccnc3)CC2)cn1 ZINC000191678659 823730540 /nfs/dbraw/zinc/73/05/40/823730540.db2.gz YICVIQPEZGPBHL-UHFFFAOYSA-N 1 0 393.462 4.238 20 0 GIADRO CC(C)c1nn(-c2ccc(Br)cc2)cc1C[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000574439826 823730541 /nfs/dbraw/zinc/73/05/41/823730541.db2.gz XPMXNNHMHGBABK-QZTJIDSGSA-N 1 0 392.341 4.103 20 0 GIADRO CCOc1c(Cl)cc(C[NH2+]C[C@]2(C)OCCc3sccc32)cc1OC ZINC000574442542 823731181 /nfs/dbraw/zinc/73/11/81/823731181.db2.gz MPAVPNVBACVMHN-IBGZPJMESA-N 1 0 381.925 4.387 20 0 GIADRO CC1(C)CC(NC(=O)c2ccc(N3CCc4ccccc4C3)cc2)CC(C)(C)[NH2+]1 ZINC000064023642 823735014 /nfs/dbraw/zinc/73/50/14/823735014.db2.gz QASHOFLFPVOCGY-UHFFFAOYSA-N 1 0 391.559 4.288 20 0 GIADRO CC(C)c1c(NC(=O)N(CC[NH+](C)C)C(C)C)cnn1-c1ccccc1Cl ZINC000191690797 823735573 /nfs/dbraw/zinc/73/55/73/823735573.db2.gz YCEUMQOCMRCCOZ-UHFFFAOYSA-N 1 0 391.947 4.453 20 0 GIADRO O=C(Nc1cccc2c1CN(c1ccccn1)C2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000574462647 823736541 /nfs/dbraw/zinc/73/65/41/823736541.db2.gz IGWWSVFNCAZEDZ-OAQYLSRUSA-N 1 0 398.510 4.062 20 0 GIADRO COc1cc2[nH+]ccc(N3CCC(CCCn4ccnc4)CC3)c2cc1OC ZINC000413241417 823736657 /nfs/dbraw/zinc/73/66/57/823736657.db2.gz KLAPFRJPOQJVBI-UHFFFAOYSA-N 1 0 380.492 4.145 20 0 GIADRO CC1CC[NH+](Cc2ccc(NC(=O)c3ccccc3Cn3cccn3)cc2)CC1 ZINC000461881448 823736628 /nfs/dbraw/zinc/73/66/28/823736628.db2.gz HZCWJWPJADAWPU-UHFFFAOYSA-N 1 0 388.515 4.416 20 0 GIADRO CC(C)c1nc(-c2ccccc2NC(=O)c2cccc(C[NH+]3CCCC3)c2)n[nH]1 ZINC000064027964 823736885 /nfs/dbraw/zinc/73/68/85/823736885.db2.gz IJFLYWBMWRUBRJ-UHFFFAOYSA-N 1 0 389.503 4.443 20 0 GIADRO CC(C)[N@@H+](Cc1ccc(NC(=O)N2CCC[C@H](F)C2)cc1)C[C@@H]1CCCCO1 ZINC000574462211 823736886 /nfs/dbraw/zinc/73/68/86/823736886.db2.gz BAPDMZBDBWFHDS-FPOVZHCZSA-N 1 0 391.531 4.432 20 0 GIADRO O=C(c1cccc(C[NH+]2CCCC2)c1)N1CCCc2cc(OC(F)F)ccc21 ZINC000064027771 823736982 /nfs/dbraw/zinc/73/69/82/823736982.db2.gz DWBOIKNAHXXKIT-UHFFFAOYSA-N 1 0 386.442 4.477 20 0 GIADRO O=C(Nc1cccc2c1CN(c1ccccn1)C2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000574462646 823736957 /nfs/dbraw/zinc/73/69/57/823736957.db2.gz IGWWSVFNCAZEDZ-NRFANRHFSA-N 1 0 398.510 4.062 20 0 GIADRO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)N1CCC(CC(F)(F)F)CC1 ZINC000574470582 823738573 /nfs/dbraw/zinc/73/85/73/823738573.db2.gz WHYRYRIRZVLWNL-KRWDZBQOSA-N 1 0 375.479 4.158 20 0 GIADRO CS(=O)(=O)Cc1cccc(C[NH2+][C@@H](Cc2ccccc2F)c2ccccc2)c1 ZINC000191700991 823740531 /nfs/dbraw/zinc/74/05/31/823740531.db2.gz RMTFDTMDDMBMCL-QHCPKHFHSA-N 1 0 397.515 4.444 20 0 GIADRO CCCN(C)c1ccc(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000064052182 823740873 /nfs/dbraw/zinc/74/08/73/823740873.db2.gz WHMGVKDPCLQIDU-OAQYLSRUSA-N 1 0 379.548 4.175 20 0 GIADRO Cc1cc2c(cc1C)[C@@H]([NH2+]Cc1cccc(CN3CCOCC3)c1)CCCO2 ZINC000163723192 823741302 /nfs/dbraw/zinc/74/13/02/823741302.db2.gz WEOUEIRYSQBNQU-QHCPKHFHSA-N 1 0 380.532 4.139 20 0 GIADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000163716628 823741376 /nfs/dbraw/zinc/74/13/76/823741376.db2.gz DOQAKLBAZAGDRY-AWEZNQCLSA-N 1 0 392.425 4.448 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Cc1nc(C(C)C)c(C)s1)Cc1ccccc1 ZINC000574479402 823741740 /nfs/dbraw/zinc/74/17/40/823741740.db2.gz FEZNZHUWPFYMCT-IBGZPJMESA-N 1 0 387.593 4.187 20 0 GIADRO O=C(CCCOc1ccccc1)Nc1ccc(C[NH2+]C2CCSCC2)cc1 ZINC000125914078 823742589 /nfs/dbraw/zinc/74/25/89/823742589.db2.gz FQLOLGYYTJVJPM-UHFFFAOYSA-N 1 0 384.545 4.470 20 0 GIADRO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]Cc1cccc(CN2CCOCC2)c1 ZINC000163736645 823743173 /nfs/dbraw/zinc/74/31/73/823743173.db2.gz SWCSBOIPJWKKOC-MRXNPFEDSA-N 1 0 387.593 4.432 20 0 GIADRO CC(C)[C@H]1N(C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)CC12CCOCC2 ZINC000413273331 823743331 /nfs/dbraw/zinc/74/33/31/823743331.db2.gz BKKRXMRVLIIPHF-SIKLNZKXSA-N 1 0 399.579 4.059 20 0 GIADRO CCCn1c2ccccc2nc1CN(Cc1ccncc1)C[C@@H]1CCC[N@@H+]1CC ZINC000574487005 823744620 /nfs/dbraw/zinc/74/46/20/823744620.db2.gz XRBNCQAQVBCJCC-NRFANRHFSA-N 1 0 391.563 4.328 20 0 GIADRO COc1cc(C[NH2+]C[C@](C)(Cc2ccccc2)[C@H](C)O)ccc1OC(F)F ZINC000191720148 823746441 /nfs/dbraw/zinc/74/64/41/823746441.db2.gz PBHGKWVTMXJEEN-BTYIYWSLSA-N 1 0 379.447 4.016 20 0 GIADRO CC(C)c1ccc(C[C@H](C)NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000125928513 823746618 /nfs/dbraw/zinc/74/66/18/823746618.db2.gz XJEYKNLKBTZAFD-IBGZPJMESA-N 1 0 394.563 4.100 20 0 GIADRO C[C@H](C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cccc(Br)c1 ZINC000461905327 823747653 /nfs/dbraw/zinc/74/76/53/823747653.db2.gz ZKPFCASYVFEEOS-ZACQAIPSSA-N 1 0 395.385 4.427 20 0 GIADRO CC[C@H]([NH2+][C@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccncc1 ZINC000163778644 823748222 /nfs/dbraw/zinc/74/82/22/823748222.db2.gz ZGDPNUDDEXPEOX-DYVFJYSZSA-N 1 0 381.398 4.438 20 0 GIADRO C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000064129803 823752278 /nfs/dbraw/zinc/75/22/78/823752278.db2.gz CUJHPDCZMDIOHF-MRXNPFEDSA-N 1 0 397.485 4.230 20 0 GIADRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N(Cc1cccs1)Cc1cccs1 ZINC000125960461 823753513 /nfs/dbraw/zinc/75/35/13/823753513.db2.gz JJZNLKIRIZZZGG-MRXNPFEDSA-N 1 0 375.563 4.006 20 0 GIADRO CNC(=O)c1ccc(C[N@H+](C)Cc2ccc(OCc3ccc(F)cc3)cc2)cc1 ZINC000064139332 823753536 /nfs/dbraw/zinc/75/35/36/823753536.db2.gz PQUHYAGHORIIEU-UHFFFAOYSA-N 1 0 392.474 4.396 20 0 GIADRO CC[C@H](Oc1ccccc1C)C(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000413332714 823754410 /nfs/dbraw/zinc/75/44/10/823754410.db2.gz MDTHNUKAJOTQAS-NRFANRHFSA-N 1 0 381.520 4.297 20 0 GIADRO Cc1sc(-c2ccco2)nc1C(=O)N1c2ccc(C)cc2[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000125966293 823755108 /nfs/dbraw/zinc/75/51/08/823755108.db2.gz OOAIALBNIJYWLW-WMZOPIPTSA-N 1 0 393.512 4.468 20 0 GIADRO Cc1sc(-c2ccco2)nc1C(=O)N1c2ccc(C)cc2[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000125966544 823755638 /nfs/dbraw/zinc/75/56/38/823755638.db2.gz OOAIALBNIJYWLW-AEFFLSMTSA-N 1 0 393.512 4.468 20 0 GIADRO CC[C@H](CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)CC(F)(F)F ZINC000413354027 823758071 /nfs/dbraw/zinc/75/80/71/823758071.db2.gz QAHDFPXGZNIGKB-BQFCYCMXSA-N 1 0 385.474 4.175 20 0 GIADRO CCOc1ccccc1Oc1ccc(C[NH2+][C@H]2CCCc3c2cnn3C)cn1 ZINC000163910175 823759663 /nfs/dbraw/zinc/75/96/63/823759663.db2.gz BXQSKXOUHFKTCP-SFHVURJKSA-N 1 0 378.476 4.173 20 0 GIADRO Cc1ncc([C@@H](C)[NH2+]Cc2ccc(C(=O)Nc3ccc(F)cc3)cc2)c(C)n1 ZINC000125985401 823759809 /nfs/dbraw/zinc/75/98/09/823759809.db2.gz QMSGYJCKJIVQCV-CQSZACIVSA-N 1 0 378.451 4.336 20 0 GIADRO Clc1ccc([C@H](C[NH2+][C@H]2CCCNc3ccccc32)N2CCOCC2)cc1 ZINC000574558991 823766012 /nfs/dbraw/zinc/76/60/12/823766012.db2.gz PUVDYKLDYMGHIJ-VXKWHMMOSA-N 1 0 385.939 4.250 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)[C@@](C)(OC)C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000461939492 823766226 /nfs/dbraw/zinc/76/62/26/823766226.db2.gz XHDMVOQEQIBDNF-MJGOQNOKSA-N 1 0 386.458 4.020 20 0 GIADRO [NH3+]C1(c2noc([C@H]3C[C@@]34CCc3cc(Br)ccc34)n2)CCCCC1 ZINC000574564559 823768013 /nfs/dbraw/zinc/76/80/13/823768013.db2.gz ZZQSKBINVBLNJV-CRAIPNDOSA-N 1 0 388.309 4.322 20 0 GIADRO Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+](C)[C@@H](C)c1cc2ccccc2o1 ZINC000126019386 823768041 /nfs/dbraw/zinc/76/80/41/823768041.db2.gz COOKVMZJOHETKV-KRWDZBQOSA-N 1 0 383.492 4.391 20 0 GIADRO CSC1(C[NH2+]Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CCOCC1 ZINC000126032808 823770846 /nfs/dbraw/zinc/77/08/46/823770846.db2.gz AUWVVBPOQUTTQK-UHFFFAOYSA-N 1 0 387.593 4.231 20 0 GIADRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1cc(-c2ccccc2)ns1 ZINC000461959425 823772127 /nfs/dbraw/zinc/77/21/27/823772127.db2.gz PLFKBGJSGZHEJN-UHFFFAOYSA-N 1 0 383.492 4.153 20 0 GIADRO Cc1cc(-c2nnc(CN[C@@H]3CC[N@H+](Cc4ccccc4)CC3(C)C)o2)c(C)o1 ZINC000574586474 823772907 /nfs/dbraw/zinc/77/29/07/823772907.db2.gz GBUNFJLQYLHMTA-HXUWFJFHSA-N 1 0 394.519 4.337 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)cnn1-c1ccc(F)cc1 ZINC000164049107 823773786 /nfs/dbraw/zinc/77/37/86/823773786.db2.gz MEOTXIRXQDXKCW-CLTPODQCSA-N 1 0 385.508 4.469 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@H]2CCCc3c2cnn3C)ccc1OCc1ccncc1 ZINC000164070036 823775329 /nfs/dbraw/zinc/77/53/29/823775329.db2.gz DONQJIXHMGAGSV-UZLBHIALSA-N 1 0 392.503 4.131 20 0 GIADRO C[C@@H](NC(=O)NCc1cnccc1C(C)(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000413440202 823778175 /nfs/dbraw/zinc/77/81/75/823778175.db2.gz RWSFLQOLEQOVCW-QUCCMNQESA-N 1 0 394.563 4.089 20 0 GIADRO COCCC[NH+]1CCC(NC(=O)c2ccc(O[C@H](C)c3ccccc3)cc2)CC1 ZINC000191814967 823779762 /nfs/dbraw/zinc/77/97/62/823779762.db2.gz ITVPRKFLJITZIC-LJQANCHMSA-N 1 0 396.531 4.057 20 0 GIADRO CCC(CC)(CNC(=O)c1cn(C)nc1C1CCC1)[NH2+][C@@H](C)c1ccccc1 ZINC000413461442 823782119 /nfs/dbraw/zinc/78/21/19/823782119.db2.gz VNRSXVHRMXMZJC-KRWDZBQOSA-N 1 0 382.552 4.327 20 0 GIADRO C[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000164170347 823783262 /nfs/dbraw/zinc/78/32/62/823783262.db2.gz DCWJFLQHPNBQGX-XUWVNRHRSA-N 1 0 385.474 4.322 20 0 GIADRO Cc1nc(C(F)(F)F)sc1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000461985755 823783301 /nfs/dbraw/zinc/78/33/01/823783301.db2.gz RDMYBGVMXRHSHF-OAHLLOKOSA-N 1 0 397.466 4.255 20 0 GIADRO CN(Cc1ccccc1)c1ccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000164184662 823784371 /nfs/dbraw/zinc/78/43/71/823784371.db2.gz XQEMGQYOSNGFCN-REWPJTCUSA-N 1 0 392.547 4.271 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)c2cnnc(-c3ccccc3)c2)[NH+]2CCCC2)cc1 ZINC000574627327 823785049 /nfs/dbraw/zinc/78/50/49/823785049.db2.gz QJTQGXRCAUSJKJ-HSZRJFAPSA-N 1 0 386.499 4.019 20 0 GIADRO CC(C)(C)C[C@@H]1CCCN1C(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000064286025 823786985 /nfs/dbraw/zinc/78/69/85/823786985.db2.gz ORTGQEDWHWVVNH-FQEVSTJZSA-N 1 0 385.552 4.038 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1C ZINC000413497176 823787727 /nfs/dbraw/zinc/78/77/27/823787727.db2.gz LERRUSYYOPBIHS-VYDXJSESSA-N 1 0 386.458 4.095 20 0 GIADRO CCOc1cc(C[NH+]2CCC3(CC2)OCCO3)ccc1OCc1ccccc1 ZINC000126105875 823789043 /nfs/dbraw/zinc/78/90/43/823789043.db2.gz CBWWNJVKELZAEA-UHFFFAOYSA-N 1 0 383.488 4.003 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1cc2c(s1)CCCC2)c1cccc(NS(C)(=O)=O)c1 ZINC000164242930 823789277 /nfs/dbraw/zinc/78/92/77/823789277.db2.gz ZECAYYCVAXFCGS-KGLIPLIRSA-N 1 0 378.563 4.410 20 0 GIADRO CS(=O)(=O)c1cccc(Oc2ncccc2C[NH2+]C2CCCCCCC2)c1 ZINC000164244621 823789289 /nfs/dbraw/zinc/78/92/89/823789289.db2.gz AIZWQEKDZKBHBQ-UHFFFAOYSA-N 1 0 388.533 4.480 20 0 GIADRO CCc1ccc(CNC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000064317306 823790237 /nfs/dbraw/zinc/79/02/37/823790237.db2.gz RIHRAEHYLPNNOI-IBGZPJMESA-N 1 0 396.478 4.381 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCC=C(F)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000462000398 823790434 /nfs/dbraw/zinc/79/04/34/823790434.db2.gz BARZQMKHRLNDGM-QAPCUYQASA-N 1 0 399.432 4.357 20 0 GIADRO C[C@H](NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc2ccccc2n1 ZINC000191834030 823790385 /nfs/dbraw/zinc/79/03/85/823790385.db2.gz NKNNWDMYZDAUIT-SIKLNZKXSA-N 1 0 375.516 4.177 20 0 GIADRO CCCC[C@H]1CCC[C@@H]1[NH2+]Cc1nc(-c2cc(OC)c(OC)c(OC)c2)no1 ZINC000191833481 823790451 /nfs/dbraw/zinc/79/04/51/823790451.db2.gz UHSJCWICKIZKEH-HOCLYGCPSA-N 1 0 389.496 4.211 20 0 GIADRO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]Cc1nccn1CCc1ccccc1 ZINC000164276090 823792026 /nfs/dbraw/zinc/79/20/26/823792026.db2.gz YAXNDKLLCZIXOI-LJQANCHMSA-N 1 0 390.531 4.195 20 0 GIADRO CC(C)[C@@H]([NH2+][C@@H]1CCc2cccc(Br)c2C1)c1nnc2ccccn21 ZINC000574655478 823791987 /nfs/dbraw/zinc/79/19/87/823791987.db2.gz XUYUAXJZANUCRV-DNVCBOLYSA-N 1 0 399.336 4.336 20 0 GIADRO C[C@H]1CCC[C@H]([NH+]2CCC(NCc3nccn3CCc3ccccc3)CC2)C1 ZINC000164278244 823792188 /nfs/dbraw/zinc/79/21/88/823792188.db2.gz PKOAPRYAKOHPKC-REWPJTCUSA-N 1 0 380.580 4.259 20 0 GIADRO C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000462006881 823792290 /nfs/dbraw/zinc/79/22/90/823792290.db2.gz YBRRSSXEWIEDLH-NRFANRHFSA-N 1 0 391.559 4.026 20 0 GIADRO CC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1C(C)C ZINC000126124293 823794119 /nfs/dbraw/zinc/79/41/19/823794119.db2.gz HIXIDTPGWMVGAW-LJQANCHMSA-N 1 0 387.568 4.233 20 0 GIADRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)N(C)Cc1ccc(OC)c(Cl)c1)c1ccco1 ZINC000413537513 823794141 /nfs/dbraw/zinc/79/41/41/823794141.db2.gz WTRHLJUIQDLXBG-PBHICJAKSA-N 1 0 393.915 4.212 20 0 GIADRO C[C@H](CC(F)F)C(=O)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000413537716 823794165 /nfs/dbraw/zinc/79/41/65/823794165.db2.gz HBAXATMGFWHSJT-GDBMZVCRSA-N 1 0 392.412 4.191 20 0 GIADRO COc1ccccc1CC1CC[NH+](C[C@H](O)COc2ccccc2Cl)CC1 ZINC000574663698 823794494 /nfs/dbraw/zinc/79/44/94/823794494.db2.gz FKQZSAHZFJYWSW-IBGZPJMESA-N 1 0 389.923 4.043 20 0 GIADRO Cc1nc2ccccc2nc1C[NH+]1CCC(N2CCc3cc(F)ccc32)CC1 ZINC000574663529 823794541 /nfs/dbraw/zinc/79/45/41/823794541.db2.gz VMSAJEGVNQGXEF-UHFFFAOYSA-N 1 0 376.479 4.104 20 0 GIADRO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCc2nccn2CCc2ccccc2)CC1 ZINC000164305252 823794762 /nfs/dbraw/zinc/79/47/62/823794762.db2.gz LSOVZJVZOKEIAQ-NFBKMPQASA-N 1 0 380.580 4.259 20 0 GIADRO [NH3+][C@H]1CCCCCC[C@@H]1C(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1F ZINC000164347899 823797382 /nfs/dbraw/zinc/79/73/82/823797382.db2.gz FQTCABUVDBWKJL-WMZOPIPTSA-N 1 0 399.514 4.047 20 0 GIADRO O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1cc(-c2ccccc2)ns1 ZINC000462023445 823798782 /nfs/dbraw/zinc/79/87/82/823798782.db2.gz RNBSWQSYYBINQY-FQEVSTJZSA-N 1 0 377.513 4.377 20 0 GIADRO C[C@@H](c1nc2ccccc2n1C(F)F)N1CC[NH+](CCc2cccs2)CC1 ZINC000064351734 823799278 /nfs/dbraw/zinc/79/92/78/823799278.db2.gz QTPLAQUYCLXTDV-HNNXBMFYSA-N 1 0 390.503 4.414 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1c[nH]c2cc(Cl)ccc12 ZINC000064354468 823799626 /nfs/dbraw/zinc/79/96/26/823799626.db2.gz UQNKOWCAPSLPLO-UHFFFAOYSA-N 1 0 382.895 4.134 20 0 GIADRO CCOc1ccc(C2(C[NH2+][C@H](c3ncc[nH]3)c3ccccc3)CCOCC2)cc1 ZINC000126156014 823801541 /nfs/dbraw/zinc/80/15/41/823801541.db2.gz UBTYTZZBDOYIHC-QFIPXVFZSA-N 1 0 391.515 4.236 20 0 GIADRO C[C@H](C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)c1cccc(Br)c1 ZINC000462028277 823801765 /nfs/dbraw/zinc/80/17/65/823801765.db2.gz CXHHKDWBXICPMR-MAUKXSAKSA-N 1 0 379.342 4.030 20 0 GIADRO COc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000413611295 823803288 /nfs/dbraw/zinc/80/32/88/823803288.db2.gz CVQHQDSCYCNUQY-UEDMNHLFSA-N 1 0 392.543 4.072 20 0 GIADRO CCCC[NH+]1CCC(N[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)CC1 ZINC000164450937 823803698 /nfs/dbraw/zinc/80/36/98/823803698.db2.gz XBYIUDMGOKVSBW-KRWDZBQOSA-N 1 0 379.976 4.092 20 0 GIADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1cccc(Br)c1F ZINC000191886117 823804094 /nfs/dbraw/zinc/80/40/94/823804094.db2.gz PINXPIGXGASPEG-AWEZNQCLSA-N 1 0 397.313 4.217 20 0 GIADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1cccc(Br)c1F ZINC000191886127 823804110 /nfs/dbraw/zinc/80/41/10/823804110.db2.gz PINXPIGXGASPEG-CQSZACIVSA-N 1 0 397.313 4.217 20 0 GIADRO O=C(N[C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1)NC1CC[NH+](C2CCC2)CC1 ZINC000413620548 823804593 /nfs/dbraw/zinc/80/45/93/823804593.db2.gz XJZCFEYQBIAPTD-VQIMIIECSA-N 1 0 375.944 4.292 20 0 GIADRO Cc1cccc(N2CC[NH+](CCC(=O)N3CCC[C@@H]3c3ccc(F)cc3)CC2)c1 ZINC000462035422 823805001 /nfs/dbraw/zinc/80/50/01/823805001.db2.gz VPXOJCFHFWVBPJ-HSZRJFAPSA-N 1 0 395.522 4.010 20 0 GIADRO COC(=O)c1cccc(C[NH2+][C@@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)n1 ZINC000574715435 823807035 /nfs/dbraw/zinc/80/70/35/823807035.db2.gz OCQYEEAVBLTVEG-NVXWUHKLSA-N 1 0 378.394 4.313 20 0 GIADRO C[C@H](NC(=O)[C@H](C)[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O)c1cc2ccccc2o1 ZINC000574723530 823809552 /nfs/dbraw/zinc/80/95/52/823809552.db2.gz RMKRAQXDWIKDMT-ORFRNNEJSA-N 1 0 384.520 4.014 20 0 GIADRO C[C@@H](NC(=O)CC[NH+]1CCN(c2ccccc2)CC1)c1ccc2ccccc2c1 ZINC000462047251 823811158 /nfs/dbraw/zinc/81/11/58/823811158.db2.gz YTKIFBDSLFZSFP-HXUWFJFHSA-N 1 0 387.527 4.229 20 0 GIADRO C[C@H](Oc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1)c1ccccc1 ZINC000191919487 823811564 /nfs/dbraw/zinc/81/15/64/823811564.db2.gz YOAQKFZWXKJUHJ-QTGUNEKASA-N 1 0 378.516 4.383 20 0 GIADRO CC(C)[NH+](CCCNC(=O)c1ccc(C(=O)N(C)c2ccccc2)cc1)C(C)C ZINC000126212184 823813243 /nfs/dbraw/zinc/81/32/43/823813243.db2.gz SPDONGUKKPZNLI-UHFFFAOYSA-N 1 0 395.547 4.202 20 0 GIADRO O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)c1csc(C2CCCCC2)n1 ZINC000574738285 823814619 /nfs/dbraw/zinc/81/46/19/823814619.db2.gz DZHMPROAVAFADH-UHFFFAOYSA-N 1 0 399.560 4.400 20 0 GIADRO C[C@H](NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1)c1ccc2ccccc2c1 ZINC000462063692 823817403 /nfs/dbraw/zinc/81/74/03/823817403.db2.gz YICNONVGGYNPDK-IBGZPJMESA-N 1 0 387.527 4.078 20 0 GIADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2CCc3sc(Cl)cc32)o1 ZINC000462062701 823817462 /nfs/dbraw/zinc/81/74/62/823817462.db2.gz UCMASGJUJVSZRS-OAHLLOKOSA-N 1 0 381.929 4.064 20 0 GIADRO Cc1ccc([C@@H]2OCCC[C@H]2[NH2+]C[C@H](O)COCc2ccccc2Cl)cc1 ZINC000574750607 823818180 /nfs/dbraw/zinc/81/81/80/823818180.db2.gz ZOHSQCZPUVIUJP-NNWRFLSQSA-N 1 0 389.923 4.036 20 0 GIADRO CC(C)Cn1ccnc1C[NH2+][C@@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000164759753 823818680 /nfs/dbraw/zinc/81/86/80/823818680.db2.gz IWPQMAWVDZODHC-AWEZNQCLSA-N 1 0 382.430 4.065 20 0 GIADRO Cc1cc(Br)ccc1NC(=O)CC[NH2+][C@H]1CCc2ccccc2C1 ZINC000462069211 823818890 /nfs/dbraw/zinc/81/88/90/823818890.db2.gz YCHMEIUQHMVNEK-SFHVURJKSA-N 1 0 387.321 4.233 20 0 GIADRO CC(C)Cn1ccnc1C[NH2+][C@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000164776010 823819243 /nfs/dbraw/zinc/81/92/43/823819243.db2.gz IHSFXYCNGONVFD-CQSZACIVSA-N 1 0 382.430 4.065 20 0 GIADRO O=C(c1cn(Cc2ccccc2)c2ccccc12)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000574766014 823821420 /nfs/dbraw/zinc/82/14/20/823821420.db2.gz ADPCYCMURRLAIT-NRFANRHFSA-N 1 0 387.527 4.151 20 0 GIADRO C[C@@H]1CN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C[C@H](c2ccsc2)O1 ZINC000164861038 823823016 /nfs/dbraw/zinc/82/30/16/823823016.db2.gz FUUCECHGEJGREP-WIYYLYMNSA-N 1 0 398.572 4.339 20 0 GIADRO CC[C@H](CC1CCCC1)C(=O)N(C)C[C@@H]1CCC[N@H+](CC)[C@H]1c1cnn(C)c1 ZINC000413713490 823823653 /nfs/dbraw/zinc/82/36/53/823823653.db2.gz MHJQGEOUUQHZBT-RZUBCFFCSA-N 1 0 388.600 4.258 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCCCC1)[C@@H]1C[C@H]1c1cccc(O)c1 ZINC000574779322 823824534 /nfs/dbraw/zinc/82/45/34/823824534.db2.gz CISLAALLMCFSOS-XZOQPEGZSA-N 1 0 378.516 4.188 20 0 GIADRO CC(C)(C)OC1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000164925022 823825558 /nfs/dbraw/zinc/82/55/58/823825558.db2.gz KFSPSBDMKCLCPN-AWEZNQCLSA-N 1 0 376.324 4.013 20 0 GIADRO O=C(N[C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1)N1CCC([NH+]2CCCC2)CC1 ZINC000413727240 823826536 /nfs/dbraw/zinc/82/65/36/823826536.db2.gz WVWLNDBHUHJGLG-IEBWSBKVSA-N 1 0 375.944 4.246 20 0 GIADRO Cc1noc(-c2ccccc2)c1NC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000126276672 823827103 /nfs/dbraw/zinc/82/71/03/823827103.db2.gz WYSIGDSXIIFSHI-UHFFFAOYSA-N 1 0 390.487 4.390 20 0 GIADRO C[C@H]([NH2+]C[C@@H](CO)Cc1ccccc1Br)c1nccc2ccccc21 ZINC000574795281 823828883 /nfs/dbraw/zinc/82/88/83/823828883.db2.gz NLYAMWINHUIJQR-HOTGVXAUSA-N 1 0 399.332 4.499 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)cc1F ZINC000164993854 823829088 /nfs/dbraw/zinc/82/90/88/823829088.db2.gz KTNJMRRRJZHXIK-OAHLLOKOSA-N 1 0 382.435 4.208 20 0 GIADRO CCCC[C@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)NC)cc1)c1ccc(OC)cc1 ZINC000165063536 823832746 /nfs/dbraw/zinc/83/27/46/823832746.db2.gz RQTWNZARSJQCBG-KKSFZXQISA-N 1 0 390.549 4.185 20 0 GIADRO CO[C@@H](C)c1nc(C[NH2+][C@@H]2CCc3cc(Br)ccc3C2)cs1 ZINC000462115030 823832747 /nfs/dbraw/zinc/83/27/47/823832747.db2.gz BLRNGADUJYFNKK-XHDPSFHLSA-N 1 0 381.339 4.260 20 0 GIADRO Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]CCc2cccc(C(=O)N(C)C)c2)c1 ZINC000165102171 823833741 /nfs/dbraw/zinc/83/37/41/823833741.db2.gz CILWCINCCQSTFI-OAHLLOKOSA-N 1 0 376.447 4.192 20 0 GIADRO Cc1nc(-c2cc([C@@H](C)[NH2+]CC3(C(=O)N(C)C)CCCC3)cs2)cs1 ZINC000165106131 823834092 /nfs/dbraw/zinc/83/40/92/823834092.db2.gz PVTXEVACZKLFGB-CYBMUJFWSA-N 1 0 377.579 4.479 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](C)CC(F)(F)F ZINC000413753010 823834116 /nfs/dbraw/zinc/83/41/16/823834116.db2.gz XDXWQVKMHQWWRB-FUHWJXTLSA-N 1 0 385.474 4.129 20 0 GIADRO C[N@H+](Cc1ccccc1NS(=O)(=O)CCc1cccs1)C1CCCCC1 ZINC000192010148 823834244 /nfs/dbraw/zinc/83/42/44/823834244.db2.gz BGJYQZOEKUUEKY-UHFFFAOYSA-N 1 0 392.590 4.497 20 0 GIADRO COCCN1CCC([NH2+][C@@H]2CCCC[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000462118212 823834248 /nfs/dbraw/zinc/83/42/48/823834248.db2.gz DUYRHDZHMFYCOO-WOJBJXKFSA-N 1 0 384.486 4.432 20 0 GIADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N2CCC[C@@H]2C(C)C)CC1 ZINC000064520286 823834858 /nfs/dbraw/zinc/83/48/58/823834858.db2.gz FTQDUDHECCNXGG-GOSISDBHSA-N 1 0 378.948 4.134 20 0 GIADRO CC[NH+]1CCC(NC(=O)Nc2cccc(OCc3cccc(OC)c3)c2C)CC1 ZINC000165119612 823835219 /nfs/dbraw/zinc/83/52/19/823835219.db2.gz TVLYRLDEKJGFTN-UHFFFAOYSA-N 1 0 397.519 4.188 20 0 GIADRO Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000192018636 823835967 /nfs/dbraw/zinc/83/59/67/823835967.db2.gz CISVZEVDYDTPIZ-OLZOCXBDSA-N 1 0 393.409 4.188 20 0 GIADRO O=C(C[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1)Nc1nc2ccccc2s1 ZINC000192031342 823837793 /nfs/dbraw/zinc/83/77/93/823837793.db2.gz VKQWKTXWOFPQIC-QAPCUYQASA-N 1 0 387.892 4.008 20 0 GIADRO Cc1cc(Cl)ccc1NC(=O)C[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000192031656 823838369 /nfs/dbraw/zinc/83/83/69/823838369.db2.gz WOKVBAMQCZRPKL-IEBWSBKVSA-N 1 0 379.287 4.360 20 0 GIADRO C[C@@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)c1cccc(OC(F)(F)F)c1 ZINC000165185477 823838630 /nfs/dbraw/zinc/83/86/30/823838630.db2.gz WDOWWPXNKMPARA-CQSZACIVSA-N 1 0 380.410 4.180 20 0 GIADRO COc1cccc(C[NH2+]C2CCN(C(=O)c3ccco3)CC2)c1OC1CCCC1 ZINC000165222033 823840557 /nfs/dbraw/zinc/84/05/57/823840557.db2.gz JFEQNLZETFOJSM-UHFFFAOYSA-N 1 0 398.503 4.004 20 0 GIADRO CSc1cccc(NC(=O)C[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)cc2)c1 ZINC000192038172 823840544 /nfs/dbraw/zinc/84/05/44/823840544.db2.gz NRMULGUCKJNNTB-PKOBYXMFSA-N 1 0 376.909 4.120 20 0 GIADRO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000165228050 823841121 /nfs/dbraw/zinc/84/11/21/823841121.db2.gz KDGSLDXOGHSHFL-OAHLLOKOSA-N 1 0 395.425 4.099 20 0 GIADRO C[C@@H](C(=O)NC1(c2cccc(C(F)(F)F)c2)CCOCC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000413788797 823841423 /nfs/dbraw/zinc/84/14/23/823841423.db2.gz UXMWZSTYJHOHQF-OAGGEKHMSA-N 1 0 398.469 4.089 20 0 GIADRO CC(C)(CC(F)F)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000413789361 823841571 /nfs/dbraw/zinc/84/15/71/823841571.db2.gz ITAYWOIEXZQBHZ-VQTJNVASSA-N 1 0 386.486 4.452 20 0 GIADRO CC[C@@H](c1ccncc1)N(C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000126329651 823841590 /nfs/dbraw/zinc/84/15/90/823841590.db2.gz VSCJHTHRMJVKAE-GLCCWIKHSA-N 1 0 392.547 4.370 20 0 GIADRO CN1CCC(CNC(=O)c2ccc(C3CCCC3)cc2)([NH+]2CCCCC2)CC1 ZINC000574849392 823841980 /nfs/dbraw/zinc/84/19/80/823841980.db2.gz CUWIFIJIJPUUHT-UHFFFAOYSA-N 1 0 383.580 4.024 20 0 GIADRO CC(C)[N@H+](CC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1)Cc1ccccc1 ZINC000064555876 823843353 /nfs/dbraw/zinc/84/33/53/823843353.db2.gz ZZTLBPHUXZKIPU-PMACEKPBSA-N 1 0 395.547 4.149 20 0 GIADRO O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)C1(c2ccc(F)cc2)CC1 ZINC000574853469 823844186 /nfs/dbraw/zinc/84/41/86/823844186.db2.gz VBPCYHSABCXNCY-HXUWFJFHSA-N 1 0 380.507 4.276 20 0 GIADRO COc1ccc(Cl)c(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000064561129 823844304 /nfs/dbraw/zinc/84/43/04/823844304.db2.gz HWIDJRIWMWDCSY-QGZVFWFLSA-N 1 0 377.872 4.290 20 0 GIADRO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)C1(c2ccc(F)cc2)CC1 ZINC000574853468 823844292 /nfs/dbraw/zinc/84/42/92/823844292.db2.gz VBPCYHSABCXNCY-FQEVSTJZSA-N 1 0 380.507 4.276 20 0 GIADRO CC(C)[NH+](CCN(C)C(=O)N[C@H]1CCCc2cn(C3CCCC3)nc21)C(C)C ZINC000462148535 823845333 /nfs/dbraw/zinc/84/53/33/823845333.db2.gz DAYKEVJDHQWULY-FQEVSTJZSA-N 1 0 389.588 4.136 20 0 GIADRO CC(=O)N(c1nc(CN2CC[C@@H]([NH+]3CCCC3)C2)cs1)c1cccc(C)c1C ZINC000165369902 823845958 /nfs/dbraw/zinc/84/59/58/823845958.db2.gz MWNUQXUGCNBCGW-HXUWFJFHSA-N 1 0 398.576 4.115 20 0 GIADRO Cc1cc(Br)ccc1NC(=O)CC[NH2+]CC1Cc2ccccc2C1 ZINC000574862980 823846038 /nfs/dbraw/zinc/84/60/38/823846038.db2.gz YGTAOEWVLIJMQU-UHFFFAOYSA-N 1 0 387.321 4.091 20 0 GIADRO C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1)C(=O)Nc1cc(F)ccc1F ZINC000192059401 823847074 /nfs/dbraw/zinc/84/70/74/823847074.db2.gz ZWLLVPPSURXTQH-SDDDUWNISA-N 1 0 380.822 4.065 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)CCCc1c[nH]c2ccccc12 ZINC000126354209 823847234 /nfs/dbraw/zinc/84/72/34/823847234.db2.gz AODBCOZVRDADSY-UHFFFAOYSA-N 1 0 390.531 4.261 20 0 GIADRO CC(C)CC(=O)N1CCC([NH2+][C@H](C)c2ccc(Br)cc2F)CC1 ZINC000126356663 823847683 /nfs/dbraw/zinc/84/76/83/823847683.db2.gz BNZZOUINALRQME-CYBMUJFWSA-N 1 0 385.321 4.276 20 0 GIADRO CC(=O)N(c1nc(CN2CCC[C@@H]2C[NH+]2CCCCC2)cs1)c1ccccc1 ZINC000165400157 823847677 /nfs/dbraw/zinc/84/76/77/823847677.db2.gz FDWAXDNHBHPYJH-OAQYLSRUSA-N 1 0 398.576 4.278 20 0 GIADRO COc1cccc(OC)c1Oc1ccc(C[NH2+]C2Cc3ccccc3C2)cn1 ZINC000165432563 823848787 /nfs/dbraw/zinc/84/87/87/823848787.db2.gz NQMZQDBVDWKMAM-UHFFFAOYSA-N 1 0 376.456 4.148 20 0 GIADRO COc1cc(OC)c([C@@H](C)[NH2+][C@H](C)c2ccc(NC(N)=O)cc2)cc1Cl ZINC000165470204 823849908 /nfs/dbraw/zinc/84/99/08/823849908.db2.gz OHXLASITCFOGMR-VXGBXAGGSA-N 1 0 377.872 4.260 20 0 GIADRO C[C@H](O)[C@H]([NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1)c1ccccc1F ZINC000574881888 823850079 /nfs/dbraw/zinc/85/00/79/823850079.db2.gz RNPUEXQNRBEPPX-QKKBWIMNSA-N 1 0 394.893 4.294 20 0 GIADRO COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000574889329 823852638 /nfs/dbraw/zinc/85/26/38/823852638.db2.gz WTUPVZBQOFGLPZ-HNNXBMFYSA-N 1 0 390.911 4.110 20 0 GIADRO Cc1ccc(-c2ocnc2C(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000126380549 823852770 /nfs/dbraw/zinc/85/27/70/823852770.db2.gz ORGWKYYXTCGFIY-UHFFFAOYSA-N 1 0 390.487 4.034 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(OCCOc3ccccc3)nc2)cc1 ZINC000165548233 823853602 /nfs/dbraw/zinc/85/36/02/823853602.db2.gz WIEWKOJTHIMYOD-GOSISDBHSA-N 1 0 378.472 4.399 20 0 GIADRO CC(C)[C@@H](Oc1ccc(Cl)cc1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000462174910 823854097 /nfs/dbraw/zinc/85/40/97/823854097.db2.gz ICMHMEWVFNVQPU-HXUWFJFHSA-N 1 0 378.944 4.267 20 0 GIADRO C[C@@H](Cc1cn(C)c2ccc(F)cc12)NC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000413875379 823854448 /nfs/dbraw/zinc/85/44/48/823854448.db2.gz SAOKZVJQMSICJU-HNNXBMFYSA-N 1 0 382.483 4.132 20 0 GIADRO CC(C)(C)OC(=O)N1CCC([NH2+]Cc2cc(Br)ccc2F)CC1 ZINC000064625670 823854525 /nfs/dbraw/zinc/85/45/25/823854525.db2.gz RYQPXBWVKIYADY-UHFFFAOYSA-N 1 0 387.293 4.077 20 0 GIADRO Cc1ccc(C)c(OC2CC[NH+](C[C@@H](O)COc3ccc(Cl)cc3)CC2)c1 ZINC000064631626 823854675 /nfs/dbraw/zinc/85/46/75/823854675.db2.gz XEYYVNBRZBHLIP-LJQANCHMSA-N 1 0 389.923 4.240 20 0 GIADRO C[C@H](NC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000192084009 823854623 /nfs/dbraw/zinc/85/46/23/823854623.db2.gz YWXQGEQVQSUXAJ-AFHBHXEDSA-N 1 0 390.886 4.165 20 0 GIADRO CSc1cccc(NC(=O)C[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000192086571 823855806 /nfs/dbraw/zinc/85/58/06/823855806.db2.gz NYTHDHPTPKHJET-IEBWSBKVSA-N 1 0 394.899 4.259 20 0 GIADRO COc1cccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCCO[C@H]2c2ccccc2)c1 ZINC000165636234 823856408 /nfs/dbraw/zinc/85/64/08/823856408.db2.gz CZKWGFFXWJMCKY-CVDCTZTESA-N 1 0 377.488 4.343 20 0 GIADRO CC[C@H]([NH2+][C@H](C)Cc1ccsc1)c1ccccc1OCC(=O)N1CCCC1 ZINC000165642186 823856411 /nfs/dbraw/zinc/85/64/11/823856411.db2.gz PHRDKIXSLMYPKQ-XLIONFOSSA-N 1 0 386.561 4.421 20 0 GIADRO CSc1nnc(CCC[NH2+][C@H]2CCSc3ccccc32)n1CC(C)C ZINC000165643755 823856455 /nfs/dbraw/zinc/85/64/55/823856455.db2.gz JQOPMLPLWPOUDK-INIZCTEOSA-N 1 0 376.595 4.415 20 0 GIADRO COc1ccc(Cl)c(C[NH+]2CCC(C(=O)N3CCc4ccccc43)CC2)c1 ZINC000192089733 823856716 /nfs/dbraw/zinc/85/67/16/823856716.db2.gz ATJYTNYETMYPDE-UHFFFAOYSA-N 1 0 384.907 4.150 20 0 GIADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cc(-c2ccccc2C(F)(F)F)on1 ZINC000462181444 823857325 /nfs/dbraw/zinc/85/73/25/823857325.db2.gz PZLFHHXKQIOOID-AWEZNQCLSA-N 1 0 395.425 4.307 20 0 GIADRO CCc1nc(C)c([C@@H](C)[NH2+][C@H](CC)c2ccccc2OCC(=O)N(C)C)s1 ZINC000165672085 823857865 /nfs/dbraw/zinc/85/78/65/823857865.db2.gz UXEQYCFFSSXFJV-RHSMWYFYSA-N 1 0 389.565 4.283 20 0 GIADRO CN(C(=O)c1ccc(C[NH+]2CCCC2)cc1)c1ccc(C(=O)NC(C)(C)C)cc1 ZINC000413883898 823858054 /nfs/dbraw/zinc/85/80/54/823858054.db2.gz TUKZOWHUVUNTPH-UHFFFAOYSA-N 1 0 393.531 4.087 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)CCCc1c[nH]c2ccccc12 ZINC000462182467 823858263 /nfs/dbraw/zinc/85/82/63/823858263.db2.gz OVBRSFJGFDNLRY-JPYJTQIMSA-N 1 0 375.516 4.127 20 0 GIADRO CC[C@@H]([NH2+][C@@H](CC)c1ccccc1OCC(=O)N(C)C)c1ccc2c(c1)CCO2 ZINC000165686532 823858767 /nfs/dbraw/zinc/85/87/67/823858767.db2.gz FMGIZTFWYJNNEN-RTWAWAEBSA-N 1 0 396.531 4.281 20 0 GIADRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@@H](CC)c2cc(C)ccc2OC)s1 ZINC000574908203 823859159 /nfs/dbraw/zinc/85/91/59/823859159.db2.gz YZQUXKYHSQHDLZ-YCPHGPKFSA-N 1 0 390.553 4.122 20 0 GIADRO C[C@@H](NC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1)c1cccc(F)c1F ZINC000165691952 823859612 /nfs/dbraw/zinc/85/96/12/823859612.db2.gz PAUNSKHLDWODIK-IAGOWNOFSA-N 1 0 379.495 4.179 20 0 GIADRO CSc1nnc(CCC[NH2+][C@@H](C)c2ccc(F)cc2N(C)C)n1CC(C)C ZINC000165707537 823860139 /nfs/dbraw/zinc/86/01/39/823860139.db2.gz KONHQUQUMGAAOI-HNNXBMFYSA-N 1 0 393.576 4.145 20 0 GIADRO CC(=O)N(c1nc(CN2CCCC[C@H]2[C@H](C)O)cs1)c1cccc(Cl)c1 ZINC000165720670 823860987 /nfs/dbraw/zinc/86/09/87/823860987.db2.gz OCWVZVRKFNLTME-UGSOOPFHSA-N 1 0 393.940 4.216 20 0 GIADRO O=C(NCc1ccncc1C(F)(F)F)c1cccc(C[NH+]2CCCCC2)c1 ZINC000574923750 823861387 /nfs/dbraw/zinc/86/13/87/823861387.db2.gz VSVVCMIXNWEOMV-UHFFFAOYSA-N 1 0 377.410 4.016 20 0 GIADRO COC[C@@H]([NH2+]Cc1ccc(-n2ccnc2C)nc1)c1cccc(C(F)(F)F)c1 ZINC000126416919 823861924 /nfs/dbraw/zinc/86/19/24/823861924.db2.gz KWGKTFQCQCBINA-GOSISDBHSA-N 1 0 390.409 4.072 20 0 GIADRO COc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cc(OC)c1C(C)C ZINC000462190306 823862051 /nfs/dbraw/zinc/86/20/51/823862051.db2.gz QEZACYZAJLKANM-YLJYHZDGSA-N 1 0 396.531 4.078 20 0 GIADRO Cc1ccc(C(=O)Nc2ccc(OCC[NH+](C)C)cc2F)cc1Br ZINC000413896974 823862301 /nfs/dbraw/zinc/86/23/01/823862301.db2.gz DAQCCPBPNRFBLJ-UHFFFAOYSA-N 1 0 395.272 4.089 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1cccc(N2CCCC2)c1)C(=O)N(C)Cc1cccc(F)c1 ZINC000126421231 823862719 /nfs/dbraw/zinc/86/27/19/823862719.db2.gz SBDLZZIOVKJWSW-ROUUACIJSA-N 1 0 383.511 4.124 20 0 GIADRO CCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cnn(-c3ccc(Cl)cc3Cl)c2C)C1 ZINC000126421867 823862791 /nfs/dbraw/zinc/86/27/91/823862791.db2.gz ABUZRBHUGHRACX-SWLSCSKDSA-N 1 0 395.334 4.149 20 0 GIADRO C[C@H]([NH2+]C1CCN(CC(F)F)CC1)c1cccc(OCc2ccccn2)c1 ZINC000165817217 823863537 /nfs/dbraw/zinc/86/35/37/823863537.db2.gz IFWQYXQQJIDWOO-INIZCTEOSA-N 1 0 375.463 4.041 20 0 GIADRO Cc1cccc(C(C)C)c1NC(=O)C[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000192112529 823864169 /nfs/dbraw/zinc/86/41/69/823864169.db2.gz GIHKFKKOTLLHIH-KNQAVFIVSA-N 1 0 388.458 4.455 20 0 GIADRO CC(C)Oc1ccc([C@@H](CNC(=O)N2CCC[C@H]2c2ccccn2)[NH+](C)C)cc1 ZINC000574935919 823864329 /nfs/dbraw/zinc/86/43/29/823864329.db2.gz ALLSNMZERREEIZ-FCHUYYIVSA-N 1 0 396.535 4.018 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)[C@H]2CC(C)(C)Oc3ccccc32)c(F)c1 ZINC000413911106 823864733 /nfs/dbraw/zinc/86/47/33/823864733.db2.gz GWPWTFGGBBIIDV-KRWDZBQOSA-N 1 0 386.467 4.050 20 0 GIADRO CC[C@H](CNC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)CC(F)(F)F ZINC000413909998 823864770 /nfs/dbraw/zinc/86/47/70/823864770.db2.gz NNJJVUQOAUSWFG-IXDOHACOSA-N 1 0 377.495 4.261 20 0 GIADRO Fc1ccc([C@H]2OCC[C@@H]2[NH2+]CCCc2nc(-c3ccccc3)no2)cc1F ZINC000192119886 823866441 /nfs/dbraw/zinc/86/64/41/823866441.db2.gz XBZUXRAZUSBDAN-AZUAARDMSA-N 1 0 385.414 4.067 20 0 GIADRO Fc1ccc([C@H]2OCC[C@H]2[NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)cc1F ZINC000192121883 823867011 /nfs/dbraw/zinc/86/70/11/823867011.db2.gz QNEVQIIYUZHRQG-NFBKMPQASA-N 1 0 395.453 4.259 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)C2CCC(C(F)(F)F)CC2)c(F)c1 ZINC000413922582 823867057 /nfs/dbraw/zinc/86/70/57/823867057.db2.gz ZKVISEPCERBBFJ-UHFFFAOYSA-N 1 0 376.394 4.073 20 0 GIADRO CCOc1cc(CN2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)ccc1OC ZINC000574943593 823867106 /nfs/dbraw/zinc/86/71/06/823867106.db2.gz APHXSYTUODZASB-XMMPIXPASA-N 1 0 380.532 4.192 20 0 GIADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)C[C@@H](C)c2ccc(F)c(Br)c2)C1 ZINC000462204361 823869316 /nfs/dbraw/zinc/86/93/16/823869316.db2.gz UZTUKAFGOGNDLY-CABCVRRESA-N 1 0 399.348 4.272 20 0 GIADRO CCSc1cc(C(=O)NC[C@H](c2cccc(OC)c2)[NH+](CC)CC)ccn1 ZINC000064709941 823868739 /nfs/dbraw/zinc/86/87/39/823868739.db2.gz WULLSQWYDYNDNH-LJQANCHMSA-N 1 0 387.549 4.015 20 0 GIADRO CCN(CC)C(=O)c1ccc(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)cc1 ZINC000166086063 823869628 /nfs/dbraw/zinc/86/96/28/823869628.db2.gz JOVKBNRNIOPADK-NZQKXSOJSA-N 1 0 380.532 4.426 20 0 GIADRO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192129077 823870269 /nfs/dbraw/zinc/87/02/69/823870269.db2.gz NGJGGXWZZIXFKY-OYYNGEPBSA-N 1 0 394.849 4.373 20 0 GIADRO Cc1ccc(OCc2ccc(C(=O)NCc3cccc(C[NH+](C)C)c3)o2)c(C)c1 ZINC000064719036 823870502 /nfs/dbraw/zinc/87/05/02/823870502.db2.gz YIJCFIRYKGUJLB-UHFFFAOYSA-N 1 0 392.499 4.467 20 0 GIADRO C[C@H]([NH2+][C@@H](CC(=O)N(C)C)c1ccccc1)c1ccc(Br)cc1 ZINC000574961783 823872638 /nfs/dbraw/zinc/87/26/38/823872638.db2.gz MEYGXJWNDOURTI-KSSFIOAISA-N 1 0 375.310 4.319 20 0 GIADRO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1ccc(OCC(=O)NC3CC3)cc1)CCC2 ZINC000166209143 823872859 /nfs/dbraw/zinc/87/28/59/823872859.db2.gz OTVXTBOBYVDPBE-SBUREZEXSA-N 1 0 378.516 4.381 20 0 GIADRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@@H](C)Oc1cccc(F)c1 ZINC000126461716 823873535 /nfs/dbraw/zinc/87/35/35/823873535.db2.gz JBLCEIWRTSYSMI-MRXNPFEDSA-N 1 0 388.508 4.089 20 0 GIADRO COCCC[C@H]([NH2+][C@@H]1C[C@H](C)N(C2CC2)C1)c1ccc(Br)cc1 ZINC000166269747 823873777 /nfs/dbraw/zinc/87/37/77/823873777.db2.gz AQNCVPWNCOEFGT-YJLNNSPDSA-N 1 0 381.358 4.132 20 0 GIADRO CCc1cccc(CC)c1NC(=O)C[NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192136585 823874469 /nfs/dbraw/zinc/87/44/69/823874469.db2.gz PYRYQVDCTKSFMT-SIKLNZKXSA-N 1 0 388.458 4.148 20 0 GIADRO Cc1oc(-c2ccccc2)nc1CC(=O)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000064735394 823875224 /nfs/dbraw/zinc/87/52/24/823875224.db2.gz SMSGNYNWTJFCQI-QKLQHJQFSA-N 1 0 381.520 4.056 20 0 GIADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)CCC(=O)c2ccc3c(c2)CCCC3)C1 ZINC000064735185 823875382 /nfs/dbraw/zinc/87/53/82/823875382.db2.gz WTJIWOUVQGBLJZ-SELNLUPBSA-N 1 0 396.575 4.392 20 0 GIADRO Cc1cc(C)c(CNC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cn1 ZINC000574967119 823875516 /nfs/dbraw/zinc/87/55/16/823875516.db2.gz DLPZGSTXXFRENM-MRXNPFEDSA-N 1 0 380.517 4.397 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)c2ccc(-n3cnc4ccccc43)cc2)CC1 ZINC000064738691 823876770 /nfs/dbraw/zinc/87/67/70/823876770.db2.gz VLUAMINZUPLLRJ-UHFFFAOYSA-N 1 0 390.531 4.218 20 0 GIADRO Clc1ccc(CC[N@@H+]2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)cc1 ZINC000574974998 823877621 /nfs/dbraw/zinc/87/76/21/823877621.db2.gz PNJRVPQIIUMYFH-GOSISDBHSA-N 1 0 375.900 4.387 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1ccc(SCC(F)(F)F)cc1 ZINC000166466126 823877869 /nfs/dbraw/zinc/87/78/69/823877869.db2.gz NLUNXSDWHJIJQE-ZBFHGGJFSA-N 1 0 398.498 4.394 20 0 GIADRO COc1cc(OC)c(CC[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)c(OC)c1 ZINC000166545070 823878861 /nfs/dbraw/zinc/87/88/61/823878861.db2.gz MFQIOFYFZWTWLX-DYESRHJHSA-N 1 0 385.504 4.012 20 0 GIADRO C[C@H](CO[C@@H]1CCOC1)[NH2+][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000166522978 823878911 /nfs/dbraw/zinc/87/89/11/823878911.db2.gz YNNKTQPMPLWSHO-KBRIMQKVSA-N 1 0 376.497 4.110 20 0 GIADRO CCn1c(C[NH2+][C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)nc2cc(F)ccc21 ZINC000192144440 823878869 /nfs/dbraw/zinc/87/88/69/823878869.db2.gz WSZIBTPAUGLMDM-OXJNMPFZSA-N 1 0 375.394 4.093 20 0 GIADRO O=C(c1cc(C2CC2)nc2ccc(Cl)cc21)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000574987023 823880265 /nfs/dbraw/zinc/88/02/65/823880265.db2.gz ALHQBLSNUUNTLZ-CVEARBPZSA-N 1 0 383.923 4.227 20 0 GIADRO COc1ccc(C)cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(N2CCCC2)c1 ZINC000126486165 823881043 /nfs/dbraw/zinc/88/10/43/823881043.db2.gz YHIRBMQXVBDMTR-ZWKOTPCHSA-N 1 0 381.520 4.282 20 0 GIADRO COc1ccc([C@@H]([NH2+][C@@H]2CCc3nc[nH]c3C2)C(C)C)c(Br)c1 ZINC000574995010 823882083 /nfs/dbraw/zinc/88/20/83/823882083.db2.gz SLUSAWIBGXJZOI-XIKOKIGWSA-N 1 0 378.314 4.025 20 0 GIADRO C[C@@H]([NH2+]CCOc1ccc(Cl)c(F)c1)c1cccc(N2CCOC2=O)c1 ZINC000192154443 823882923 /nfs/dbraw/zinc/88/29/23/823882923.db2.gz IEZYPIMUJSTKPZ-CYBMUJFWSA-N 1 0 378.831 4.165 20 0 GIADRO c1cn(CCc2ccccc2)c(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)n1 ZINC000166801719 823883100 /nfs/dbraw/zinc/88/31/00/823883100.db2.gz VOGLQZFFWOLJPQ-GMAHTHKFSA-N 1 0 375.516 4.383 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)Nc1ccc2cnccc2c1)[NH+]1CCCC1 ZINC000575009659 823886403 /nfs/dbraw/zinc/88/64/03/823886403.db2.gz DDPMVUOFXJEWRT-NRFANRHFSA-N 1 0 390.487 4.202 20 0 GIADRO Cc1nccn1-c1ccc(C[NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)cn1 ZINC000126507800 823887062 /nfs/dbraw/zinc/88/70/62/823887062.db2.gz HCLYGZYPRVWYSS-GOSISDBHSA-N 1 0 388.393 4.251 20 0 GIADRO CCOCCOc1cc(C)ccc1C[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000167147262 823887088 /nfs/dbraw/zinc/88/70/88/823887088.db2.gz UEDITDIVALNDHT-SFHVURJKSA-N 1 0 398.503 4.218 20 0 GIADRO Cc1cccc(C)c1NC(=O)C[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000192165225 823888212 /nfs/dbraw/zinc/88/82/12/823888212.db2.gz HNZRSEOYZGOJFI-UHFFFAOYSA-N 1 0 381.701 4.448 20 0 GIADRO CC[C@@H](C)[NH2+][C@H](CNC(=O)c1ccnc(OCc2ccccc2)c1)c1ccco1 ZINC000575016275 823888677 /nfs/dbraw/zinc/88/86/77/823888677.db2.gz KSPNZXFFJLVPGF-YLJYHZDGSA-N 1 0 393.487 4.113 20 0 GIADRO CCC(CC)[N@H+](CCOC)CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000064806278 823888793 /nfs/dbraw/zinc/88/87/93/823888793.db2.gz CXDSDYYWZZTLRC-UHFFFAOYSA-N 1 0 380.838 4.434 20 0 GIADRO COCCCOc1cc(C)ccc1C[NH2+][C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000167233055 823889440 /nfs/dbraw/zinc/88/94/40/823889440.db2.gz OPNSUEPSLVMOIZ-KRWDZBQOSA-N 1 0 396.531 4.491 20 0 GIADRO COCCCOc1cc(C)ccc1C[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000167250269 823889592 /nfs/dbraw/zinc/88/95/92/823889592.db2.gz NHPJFSDVRRJHRK-IBGZPJMESA-N 1 0 396.531 4.388 20 0 GIADRO CCOCCC1(C[NH2+]Cc2c(C)nn(Cc3ccc(F)cc3)c2Cl)CC1 ZINC000126525137 823890459 /nfs/dbraw/zinc/89/04/59/823890459.db2.gz LWAYIWBCNWYEJS-UHFFFAOYSA-N 1 0 379.907 4.329 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1csc(-c2ccccc2)n1 ZINC000126524082 823890507 /nfs/dbraw/zinc/89/05/07/823890507.db2.gz GMCCROMZXVYZIT-UHFFFAOYSA-N 1 0 392.528 4.194 20 0 GIADRO COc1ccccc1[C@@H](C)[NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1 ZINC000167354103 823890903 /nfs/dbraw/zinc/89/09/03/823890903.db2.gz TXVSMRMNDKHBOC-QGZVFWFLSA-N 1 0 390.487 4.263 20 0 GIADRO Cc1ccccc1C[C@@H](C)[NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1 ZINC000167388807 823891383 /nfs/dbraw/zinc/89/13/83/823891383.db2.gz YRPXKFCMWBZUBK-LJQANCHMSA-N 1 0 388.515 4.433 20 0 GIADRO COc1ccc(NC(=O)CC[NH2+]C(C)C)cc1OCc1ccc2ccccc2n1 ZINC000167458030 823892050 /nfs/dbraw/zinc/89/20/50/823892050.db2.gz GDGCIXYCVVFDKE-UHFFFAOYSA-N 1 0 393.487 4.149 20 0 GIADRO CC(C)n1cc([C@H](C)[NH2+]Cc2cccc(NC(=O)NCc3ccncc3)c2)cn1 ZINC000167429287 823892099 /nfs/dbraw/zinc/89/20/99/823892099.db2.gz WEPHDUNNVPOORA-KRWDZBQOSA-N 1 0 392.507 4.032 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cccc(-n2cnnn2)c1 ZINC000167464161 823892179 /nfs/dbraw/zinc/89/21/79/823892179.db2.gz DOLUVUPWHQCJFX-INIZCTEOSA-N 1 0 395.470 4.056 20 0 GIADRO CCCn1c2ccccc2nc1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000575027032 823892625 /nfs/dbraw/zinc/89/26/25/823892625.db2.gz MMUKLQODVQOJEO-RZUBCFFCSA-N 1 0 375.516 4.451 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCN(c2c(F)cccc2F)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000167470304 823892710 /nfs/dbraw/zinc/89/27/10/823892710.db2.gz XFAVUWMIQQECJI-UKRRQHHQSA-N 1 0 385.458 4.124 20 0 GIADRO COCCOc1cc(C)ccc1C[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000167624580 823894041 /nfs/dbraw/zinc/89/40/41/823894041.db2.gz XWLDHGYPOGBLCF-KRWDZBQOSA-N 1 0 397.519 4.155 20 0 GIADRO COCCOc1cc(C)ccc1C[NH2+][C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000167624699 823894269 /nfs/dbraw/zinc/89/42/69/823894269.db2.gz XWLDHGYPOGBLCF-QGZVFWFLSA-N 1 0 397.519 4.155 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+][C@H](C)c2cc(F)ccc2N2CCC(O)CC2)c1 ZINC000167758097 823894602 /nfs/dbraw/zinc/89/46/02/823894602.db2.gz LNJFCGQXSPISRS-JKSUJKDBSA-N 1 0 399.510 4.157 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1N1CCC(O)CC1)c1ccnc(Cl)c1 ZINC000167813395 823895948 /nfs/dbraw/zinc/89/59/48/823895948.db2.gz PZJAHMYXDOJSFN-ZIAGYGMSSA-N 1 0 377.891 4.247 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CCC(O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000167826058 823896463 /nfs/dbraw/zinc/89/64/63/823896463.db2.gz COWGHIVFUILJFD-CABCVRRESA-N 1 0 387.455 4.107 20 0 GIADRO COc1ccc([C@H](C)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)cc1NC(C)=O ZINC000167869570 823896946 /nfs/dbraw/zinc/89/69/46/823896946.db2.gz NVKMLIJZSRAJIO-IRXDYDNUSA-N 1 0 383.536 4.434 20 0 GIADRO C[C@H]([NH2+]C[C@@H](c1c(F)cccc1Cl)N1CCCC1)c1cc2n(n1)CCC2 ZINC000414054940 823896900 /nfs/dbraw/zinc/89/69/00/823896900.db2.gz CADHDZHGKYCARI-LIRRHRJNSA-N 1 0 376.907 4.110 20 0 GIADRO COc1cc([C@H](C)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)cc(OC)c1OC ZINC000167856724 823897057 /nfs/dbraw/zinc/89/70/57/823897057.db2.gz NEOPQMHYUHNJEJ-DLBZAZTESA-N 1 0 386.536 4.492 20 0 GIADRO C[C@@H]([NH2+]Cc1ccccc1CN1C(=O)NC2(CCCCC2)C1=O)c1cccs1 ZINC000167891140 823897652 /nfs/dbraw/zinc/89/76/52/823897652.db2.gz XJGHSSDTGXWSBU-MRXNPFEDSA-N 1 0 397.544 4.354 20 0 GIADRO C[C@H](NC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1)c1ccc(OCc2cccnc2)cc1 ZINC000575043139 823898192 /nfs/dbraw/zinc/89/81/92/823898192.db2.gz JWVAIGFAEJBQEJ-IUKKYPGJSA-N 1 0 389.499 4.174 20 0 GIADRO c1ccc(-c2nc3c(s2)[C@@H]([NH2+]CCc2nnc4n2CCCCC4)CCC3)cc1 ZINC000126557174 823898210 /nfs/dbraw/zinc/89/82/10/823898210.db2.gz QOKQTXDYQGOWBS-KRWDZBQOSA-N 1 0 393.560 4.338 20 0 GIADRO CSC1(CNc2cc(C(F)(F)F)c(Br)cn2)CC[NH+](C)CC1 ZINC000575042090 823898426 /nfs/dbraw/zinc/89/84/26/823898426.db2.gz XSFBIWGFYSGBHX-UHFFFAOYSA-N 1 0 398.292 4.102 20 0 GIADRO CC(C)c1nc2n(n1)CCC[C@H]2[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000167947960 823898722 /nfs/dbraw/zinc/89/87/22/823898722.db2.gz DQXCTADMHAGRKU-LJQANCHMSA-N 1 0 387.959 4.144 20 0 GIADRO CS(=O)(=O)Cc1ccc(C[NH2+][C@@H]2CC[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000414065878 823899528 /nfs/dbraw/zinc/89/95/28/823899528.db2.gz HMKJCEWCMZXYIE-AZUAARDMSA-N 1 0 377.937 4.311 20 0 GIADRO CS(=O)(=O)Cc1ccc(C[NH2+][C@H]2CC[C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000414065883 823899625 /nfs/dbraw/zinc/89/96/25/823899625.db2.gz HMKJCEWCMZXYIE-QUCCMNQESA-N 1 0 377.937 4.311 20 0 GIADRO Clc1cc(C[NH2+][C@H]2CCO[C@]3(CCSC3)C2)ccc1Br ZINC000192200846 823900139 /nfs/dbraw/zinc/90/01/39/823900139.db2.gz QXAQSHRYMMYNSL-SWLSCSKDSA-N 1 0 376.747 4.247 20 0 GIADRO CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3ncccc3F)C2)cc1 ZINC000168117403 823900255 /nfs/dbraw/zinc/90/02/55/823900255.db2.gz PQYGYTLMLQSQPT-QFBILLFUSA-N 1 0 399.514 4.024 20 0 GIADRO Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)CCCO2 ZINC000126572277 823902290 /nfs/dbraw/zinc/90/22/90/823902290.db2.gz CYDWYGXAODDIOP-IBGZPJMESA-N 1 0 393.936 4.197 20 0 GIADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H](c2ccccc2F)C2CCCC2)c1 ZINC000168487447 823902934 /nfs/dbraw/zinc/90/29/34/823902934.db2.gz JAKGJSAPWUNWDF-VFNWGFHPSA-N 1 0 390.524 4.316 20 0 GIADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](c2ccccc2F)C2CCCC2)cc1 ZINC000168496573 823903220 /nfs/dbraw/zinc/90/32/20/823903220.db2.gz CNNNAYGANXNLDJ-YCRPNKLZSA-N 1 0 390.524 4.316 20 0 GIADRO CCOc1ccc(C(=O)N2CCC([NH2+][C@@H](C)c3ccc(OC)cc3C)CC2)cc1 ZINC000414077583 823903379 /nfs/dbraw/zinc/90/33/79/823903379.db2.gz RFKZGXCRSYWPMC-SFHVURJKSA-N 1 0 396.531 4.358 20 0 GIADRO COC(=O)c1cnc([C@@H](C)[NH2+][C@H](C)CCc2ccc(OC(C)C)cc2)s1 ZINC000414079943 823903837 /nfs/dbraw/zinc/90/38/37/823903837.db2.gz UAOYOQSNHYSVCM-HUUCEWRRSA-N 1 0 376.522 4.389 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]Cc2cc(C)ccc2OC(F)F)cc1NC(C)=O ZINC000168620337 823905076 /nfs/dbraw/zinc/90/50/76/823905076.db2.gz XBPWCSVYXGPQKS-CYBMUJFWSA-N 1 0 378.419 4.414 20 0 GIADRO Cc1nc2ccccc2n1Cc1cc(NC(=O)C[C@@H]2CCC[NH2+]2)ccc1Cl ZINC000168673624 823905436 /nfs/dbraw/zinc/90/54/36/823905436.db2.gz OXZPRCAAVZAKGD-INIZCTEOSA-N 1 0 382.895 4.127 20 0 GIADRO O=C(Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1)[C@H]1CCCC[NH2+]1 ZINC000168921938 823906793 /nfs/dbraw/zinc/90/67/93/823906793.db2.gz PMNFRYBJWLCJBO-CQSZACIVSA-N 1 0 383.345 4.112 20 0 GIADRO O=C(Nc1cccc(F)c1F)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000168837308 823906858 /nfs/dbraw/zinc/90/68/58/823906858.db2.gz FIKIYZZCJOXXGU-PXNSSMCTSA-N 1 0 385.458 4.483 20 0 GIADRO C[N@H+](CCNC(=S)Nc1ccc(OC(F)(F)F)cc1)Cc1ccccc1 ZINC000064895465 823906998 /nfs/dbraw/zinc/90/69/98/823906998.db2.gz QKNOUALIWPLZCV-UHFFFAOYSA-N 1 0 383.439 4.004 20 0 GIADRO C[C@@H]([NH2+][C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1)[C@H]1C[C@H]1C ZINC000414092088 823907380 /nfs/dbraw/zinc/90/73/80/823907380.db2.gz MHFRNRUTOQTOCV-VWFQAZBRSA-N 1 0 379.472 4.092 20 0 GIADRO CC(C)(C)C[C@H]([NH2+]C[C@]1(CCO)CCOC1)c1ccc(Br)cc1 ZINC000414093082 823907656 /nfs/dbraw/zinc/90/76/56/823907656.db2.gz LZBHDJOSUIWUTR-HKUYNNGSSA-N 1 0 384.358 4.305 20 0 GIADRO CC[C@H]([NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1)[C@H]1C[C@@H]1C ZINC000414094401 823908045 /nfs/dbraw/zinc/90/80/45/823908045.db2.gz OSAWKRYDFKIKOA-SMIBBHEZSA-N 1 0 393.499 4.482 20 0 GIADRO CC[C@H]([NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1)[C@@H]1C[C@H]1C ZINC000414094400 823908140 /nfs/dbraw/zinc/90/81/40/823908140.db2.gz OSAWKRYDFKIKOA-KSXBUPQJSA-N 1 0 393.499 4.482 20 0 GIADRO COc1cc(C[NH2+][C@H](C)[C@@H]2COc3ccccc32)ccc1OCc1ccncc1 ZINC000169104868 823908842 /nfs/dbraw/zinc/90/88/42/823908842.db2.gz BTIHPAPQXJPDIV-UTKZUKDTSA-N 1 0 390.483 4.324 20 0 GIADRO CC(C)n1cc([C@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)cn1 ZINC000169107650 823908917 /nfs/dbraw/zinc/90/89/17/823908917.db2.gz GOGFFIQPDLLRCV-HNAYVOBHSA-N 1 0 380.458 4.408 20 0 GIADRO COc1ccc(NC(=O)C[C@@H](C)[NH2+]CC(C)(C)c2cccs2)c(OC)c1 ZINC000169179897 823909246 /nfs/dbraw/zinc/90/92/46/823909246.db2.gz UPLYVXBDMMJXNW-CQSZACIVSA-N 1 0 376.522 4.050 20 0 GIADRO Cc1ccnc(Oc2cc(NC(=O)c3cccn3C3CC[NH2+]CC3)ccc2C)c1 ZINC000169258069 823910276 /nfs/dbraw/zinc/91/02/76/823910276.db2.gz OKZMECZXAGBIOF-UHFFFAOYSA-N 1 0 390.487 4.469 20 0 GIADRO C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1csc(-c2ccccc2)n1 ZINC000414105326 823910910 /nfs/dbraw/zinc/91/09/10/823910910.db2.gz GODCFBPQYHPKEY-DYESRHJHSA-N 1 0 393.556 4.228 20 0 GIADRO C[C@H]([NH2+]C[C@H]1C[C@H](O)CN1Cc1ccccc1)c1csc(-c2ccccc2)n1 ZINC000414106744 823911432 /nfs/dbraw/zinc/91/14/32/823911432.db2.gz RHEAUQABDNPFIK-WMQCIHAUSA-N 1 0 393.556 4.096 20 0 GIADRO C[C@@H](NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1csc(-c2ccccc2)n1 ZINC000414109627 823911898 /nfs/dbraw/zinc/91/18/98/823911898.db2.gz HMDMDVOKURQJQY-WZONZLPQSA-N 1 0 393.556 4.098 20 0 GIADRO Cc1cnn([C@@H]2CCN([C@H](c3nc(-c4ccccc4)no3)c3ccccc3)C2)c1 ZINC000575097937 823911971 /nfs/dbraw/zinc/91/19/71/823911971.db2.gz UTYFTWSAFCGZDK-RTWAWAEBSA-N 1 0 385.471 4.278 20 0 GIADRO O=C1[C@H]([NH2+][C@H]2CC[C@@H](c3cccc(Cl)c3)C2)CCCN1Cc1ccccn1 ZINC000414113394 823912346 /nfs/dbraw/zinc/91/23/46/823912346.db2.gz RTCWHTBQEJXFIV-SLYNCCJLSA-N 1 0 383.923 4.152 20 0 GIADRO C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000575103208 823913510 /nfs/dbraw/zinc/91/35/10/823913510.db2.gz IVULZRJHGBZZJZ-NZSAHSFTSA-N 1 0 397.485 4.271 20 0 GIADRO C[C@@H]1C(=O)CC[C@H](C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)C1(C)C ZINC000575103349 823913569 /nfs/dbraw/zinc/91/35/69/823913569.db2.gz UKWSHAMONRRKDX-HMXCVIKNSA-N 1 0 384.564 4.046 20 0 GIADRO C[C@@H]([NH2+]CCNc1nccc(C(F)(F)F)n1)c1csc(-c2ccccc2)n1 ZINC000414127711 823915243 /nfs/dbraw/zinc/91/52/43/823915243.db2.gz SNGQPEHJFYWZAW-GFCCVEGCSA-N 1 0 393.438 4.382 20 0 GIADRO CCc1ccc(C[C@H](Cc2ccc(Cl)cc2)[NH2+]CCc2cn(C)cn2)nc1 ZINC000414127928 823915556 /nfs/dbraw/zinc/91/55/56/823915556.db2.gz QWAQLEOJHQCHOG-QFIPXVFZSA-N 1 0 382.939 4.017 20 0 GIADRO CC[C@@H]([NH2+]Cc1cccnc1Oc1cccc(S(C)(=O)=O)c1)[C@@H]1CC1(C)C ZINC000414129143 823915899 /nfs/dbraw/zinc/91/58/99/823915899.db2.gz URQPNNNEYNZKNP-RBUKOAKNSA-N 1 0 388.533 4.192 20 0 GIADRO COc1ccc(C[C@@H](C)[NH2+][C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)cn1 ZINC000414130936 823916394 /nfs/dbraw/zinc/91/63/94/823916394.db2.gz XCAOVTHLYOENLL-SJORKVTESA-N 1 0 390.487 4.019 20 0 GIADRO CC1(C)C[NH2+]CC[C@H]1NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 ZINC000575122536 823917280 /nfs/dbraw/zinc/91/72/80/823917280.db2.gz VOLRSPBJVDFSBE-MRXNPFEDSA-N 1 0 396.318 4.085 20 0 GIADRO C[C@@H](c1csc(-c2ccccc2)n1)[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000414138959 823917382 /nfs/dbraw/zinc/91/73/82/823917382.db2.gz KPPCIFLQZCVKGP-XYJFISCASA-N 1 0 377.513 4.152 20 0 GIADRO C[N@H+](CCCOc1ccc(S(C)(=O)=O)cc1)Cc1csc2ccccc12 ZINC000064961021 823918699 /nfs/dbraw/zinc/91/86/99/823918699.db2.gz LPWMSUGQXCQVSN-UHFFFAOYSA-N 1 0 389.542 4.206 20 0 GIADRO C[C@H]([NH2+]CCCc1nnc2n1CCCCC2)c1ccc(Br)cc1F ZINC000126648721 823919318 /nfs/dbraw/zinc/91/93/18/823919318.db2.gz AJGSFHPBUIJQTK-ZDUSSCGKSA-N 1 0 395.320 4.190 20 0 GIADRO COCCOC1(C[NH2+][C@H]2CCC[C@H](c3ccc(Cl)cc3)C2)CCOCC1 ZINC000414154587 823919379 /nfs/dbraw/zinc/91/93/79/823919379.db2.gz ZRKKORNTGUZCDR-ICSRJNTNSA-N 1 0 381.944 4.168 20 0 GIADRO CC[C@H]([NH2+]C1CCN([C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1)[C@@H]1CC1(C)C ZINC000414152595 823919517 /nfs/dbraw/zinc/91/95/17/823919517.db2.gz RBABHQKWCOTQKY-CZAAIQMYSA-N 1 0 392.609 4.030 20 0 GIADRO C[NH+]1CCN(Cc2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc2)CC1 ZINC000170531850 823920428 /nfs/dbraw/zinc/92/04/28/823920428.db2.gz SSSKUSWKMFDGHE-UHFFFAOYSA-N 1 0 399.538 4.205 20 0 GIADRO Cc1cc(N2CCC[C@H]([NH2+][C@H](C)c3csc(-c4ccccc4)n3)C2)n(C)n1 ZINC000414160584 823920575 /nfs/dbraw/zinc/92/05/75/823920575.db2.gz ZRMZLDZIMAPISY-AEFFLSMTSA-N 1 0 381.549 4.172 20 0 GIADRO C[N@H+]1CC=C(CNC(=O)N[C@@H](Cc2ccccc2C(F)(F)F)C(C)(C)C)CC1 ZINC000462312814 823921404 /nfs/dbraw/zinc/92/14/04/823921404.db2.gz DZTLUVOLMFPXGD-SFHVURJKSA-N 1 0 397.485 4.224 20 0 GIADRO CCN1CC[C@@H]([NH2+]Cc2cc(C)c(C(=O)OC)o2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000575140316 823921681 /nfs/dbraw/zinc/92/16/81/823921681.db2.gz PLWXWHIQRBGZPO-QZTJIDSGSA-N 1 0 394.874 4.092 20 0 GIADRO CC(=O)c1c(C)cc(C)c(C[NH+]2CCC(NC(=O)c3ccsc3)CC2)c1C ZINC000064991315 823922269 /nfs/dbraw/zinc/92/22/69/823922269.db2.gz XDQMAWHJGWTKHU-UHFFFAOYSA-N 1 0 384.545 4.270 20 0 GIADRO C[C@@H](C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)s1 ZINC000126665546 823922365 /nfs/dbraw/zinc/92/23/65/823922365.db2.gz AHUGQGYZKJURKU-CQSZACIVSA-N 1 0 377.941 4.275 20 0 GIADRO Clc1ccc2c(c1)[C@@H]([NH2+]CCc1nnc3n1CCCCC3)CCCS2 ZINC000126667199 823922634 /nfs/dbraw/zinc/92/26/34/823922634.db2.gz LEKKUBOYJLMMOZ-INIZCTEOSA-N 1 0 376.957 4.417 20 0 GIADRO C[N@@H+]1CC[C@]2(C[C@@H]1c1ccccc1)Nc1ccccc1C(=O)N2Cc1cccnc1 ZINC000414173449 823922706 /nfs/dbraw/zinc/92/27/06/823922706.db2.gz GGXNCHNPSAEBBZ-NOZRDPDXSA-N 1 0 398.510 4.313 20 0 GIADRO COc1ccc([C@H](C)N[C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c(F)c1 ZINC000126669465 823923320 /nfs/dbraw/zinc/92/33/20/823923320.db2.gz YHCBFUAHLVZCOV-HOTGVXAUSA-N 1 0 389.490 4.137 20 0 GIADRO COc1ccc(C[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)cc1F ZINC000065014535 823924252 /nfs/dbraw/zinc/92/42/52/823924252.db2.gz WCORLWINNODEAZ-UHFFFAOYSA-N 1 0 379.357 4.329 20 0 GIADRO COc1ccc([C@@H](CO)C[NH2+][C@H](C)c2sc(Cc3ccccc3)nc2C)cc1 ZINC000414184771 823924528 /nfs/dbraw/zinc/92/45/28/823924528.db2.gz OHJWXQOUUWTNBH-OXQOHEQNSA-N 1 0 396.556 4.478 20 0 GIADRO C[C@H]([NH2+]CC1(N2CCOCC2)CCOCC1)c1cc2c(ccc3ccccc23)o1 ZINC000414182751 823924562 /nfs/dbraw/zinc/92/45/62/823924562.db2.gz MVMNAVPQFBQXRW-SFHVURJKSA-N 1 0 394.515 4.118 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1nccs1)c1ccc(C(F)(F)F)cc1 ZINC000065014916 823924671 /nfs/dbraw/zinc/92/46/71/823924671.db2.gz WWPPRIPVEQVAMU-AWEZNQCLSA-N 1 0 386.443 4.367 20 0 GIADRO Cc1nc(C(F)(F)F)sc1C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000462324400 823925001 /nfs/dbraw/zinc/92/50/01/823925001.db2.gz YATQOIZCOREYNR-GFCCVEGCSA-N 1 0 385.411 4.108 20 0 GIADRO COCC[C@H](C)C[NH2+][C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000414196472 823925784 /nfs/dbraw/zinc/92/57/84/823925784.db2.gz JODIXAIGJXLZLA-YWZLYKJASA-N 1 0 395.952 4.095 20 0 GIADRO CCc1cccnc1[C@@H](C)[NH2+]C[C@H](CO)Cc1cc(F)cc(Br)c1 ZINC000414198858 823926649 /nfs/dbraw/zinc/92/66/49/823926649.db2.gz WPXCLKWJLQKIHI-UKRRQHHQSA-N 1 0 395.316 4.047 20 0 GIADRO CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000414198864 823926918 /nfs/dbraw/zinc/92/69/18/823926918.db2.gz ZZJFQIDTJFKMHV-UIFIKXQLSA-N 1 0 375.509 4.343 20 0 GIADRO CC(C)[C@H]([NH2+]C[C@@H](CO)Cc1cc(F)cc(Br)c1)c1cccnc1 ZINC000414198914 823927029 /nfs/dbraw/zinc/92/70/29/823927029.db2.gz WQKXDFGRJLLNNV-KXBFYZLASA-N 1 0 395.316 4.121 20 0 GIADRO Cc1c2cc(F)ccc2sc1C(=O)N(C)C1CC[NH+](C2CCOCC2)CC1 ZINC000065037337 823928382 /nfs/dbraw/zinc/92/83/82/823928382.db2.gz UBFDASUWQDTATF-UHFFFAOYSA-N 1 0 390.524 4.064 20 0 GIADRO CC[C@@H]1C[N@H+](CCCc2ccncc2)[C@@H](CC)CN1CCCc1ccncc1 ZINC000462334382 823928446 /nfs/dbraw/zinc/92/84/46/823928446.db2.gz JMDZIVKVOXOSDZ-PSWAGMNNSA-N 1 0 380.580 4.217 20 0 GIADRO COCC[C@H](C)C[NH2+][C@@H](C)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000414206369 823928492 /nfs/dbraw/zinc/92/84/92/823928492.db2.gz PVKUFMNCJAOSFG-ROUUACIJSA-N 1 0 396.597 4.011 20 0 GIADRO CN(C(=O)/C=C/c1ccc(C(C)(C)C)cc1)C1CC[NH+](C2CCOCC2)CC1 ZINC000065038380 823928486 /nfs/dbraw/zinc/92/84/86/823928486.db2.gz HHJRCLCHVMAYJA-JXMROGBWSA-N 1 0 384.564 4.099 20 0 GIADRO CN(C(=O)c1ccc(Oc2ccccc2)cc1)C1CC[NH+](C2CCOCC2)CC1 ZINC000065039929 823928632 /nfs/dbraw/zinc/92/86/32/823928632.db2.gz LUHUBLFSQDGAKJ-UHFFFAOYSA-N 1 0 394.515 4.194 20 0 GIADRO CCc1ccc([C@@H]([NH2+]C[C@@H](C)CCOC)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000414208499 823928942 /nfs/dbraw/zinc/92/89/42/823928942.db2.gz RQBYADNHTHZMFI-HTAPYJJXSA-N 1 0 389.561 4.004 20 0 GIADRO CC[C@@H]([NH2+]Cc1cc(Cl)cc(S(=O)(=O)CC)c1)c1ccccc1OC ZINC000414208826 823929080 /nfs/dbraw/zinc/92/90/80/823929080.db2.gz JXJRVCPZMTVELU-GOSISDBHSA-N 1 0 381.925 4.383 20 0 GIADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]CCSC(C)C)CC1 ZINC000575164399 823929030 /nfs/dbraw/zinc/92/90/30/823929030.db2.gz FQEIVZXFUVERJL-UHFFFAOYSA-N 1 0 399.398 4.093 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)[C@H](C)c2ccc(OC)cc2)c1 ZINC000414213023 823930273 /nfs/dbraw/zinc/93/02/73/823930273.db2.gz RVKHUGRPMNAMHI-GJZGRUSLSA-N 1 0 395.952 4.424 20 0 GIADRO CCOCc1cccc(NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000170668997 823931207 /nfs/dbraw/zinc/93/12/07/823931207.db2.gz QHXLKRVARDWBPE-UHFFFAOYSA-N 1 0 381.520 4.257 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H]2c3cc(C)ccc3C[C@@H]2C)c1 ZINC000414216253 823931461 /nfs/dbraw/zinc/93/14/61/823931461.db2.gz ZKBKKXIHMYNWAA-XOBRGWDASA-N 1 0 377.937 4.465 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H]2c3cc(F)ccc3C[C@H]2C)c1 ZINC000414215390 823931514 /nfs/dbraw/zinc/93/15/14/823931514.db2.gz XGVBBOMKRMGFPU-CWTRNNRKSA-N 1 0 381.900 4.296 20 0 GIADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1c(F)cc(F)cc1Br ZINC000192281673 823932074 /nfs/dbraw/zinc/93/20/74/823932074.db2.gz SOAHFSQTKLPXGM-LBPRGKRZSA-N 1 0 390.272 4.065 20 0 GIADRO CC[C@H]([NH2+][C@@H](CC)c1ccc(Cl)c(S(=O)(=O)NC)c1)c1ccccc1 ZINC000414225715 823933256 /nfs/dbraw/zinc/93/32/56/823933256.db2.gz SRSJSQUEDUJBKW-ROUUACIJSA-N 1 0 380.941 4.440 20 0 GIADRO COc1ccc([C@@H](Cc2ccccc2)NC(=O)N2CCC([NH2+]C(C)C)CC2)cc1 ZINC000462346060 823933382 /nfs/dbraw/zinc/93/33/82/823933382.db2.gz BSFBHCWLUOTPNH-HSZRJFAPSA-N 1 0 395.547 4.151 20 0 GIADRO C/C=C/COc1ccc(CC[C@@H](C)[NH2+]Cc2ccccc2S(C)(=O)=O)cc1 ZINC000414226409 823933529 /nfs/dbraw/zinc/93/35/29/823933529.db2.gz BZJXRPQRTQZYEG-SHCNBLLESA-N 1 0 387.545 4.156 20 0 GIADRO CC(C)(C)CC(=O)N1CCC([NH2+]CC2(c3c(F)cccc3F)CCC2)CC1 ZINC000414228055 823934082 /nfs/dbraw/zinc/93/40/82/823934082.db2.gz DEHQPAHRLHFTHA-UHFFFAOYSA-N 1 0 378.507 4.403 20 0 GIADRO C[C@H](CC(=O)N(C)CCC[N@H+](C)Cc1ccncc1)c1c[nH]c2ccccc21 ZINC000575187638 823934053 /nfs/dbraw/zinc/93/40/53/823934053.db2.gz VPIKMSBMVIMVEK-GOSISDBHSA-N 1 0 378.520 4.037 20 0 GIADRO C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]Cc1ccccc1S(C)(=O)=O ZINC000414234725 823935698 /nfs/dbraw/zinc/93/56/98/823935698.db2.gz GKPDKDQYUUXMOT-INIZCTEOSA-N 1 0 384.545 4.417 20 0 GIADRO CCC[NH+]1CCN(c2ccc(NC(=O)c3ccoc3Cl)cc2Cl)CC1 ZINC000192291109 823935935 /nfs/dbraw/zinc/93/59/35/823935935.db2.gz GMCBUXMDPSIUDJ-UHFFFAOYSA-N 1 0 382.291 4.371 20 0 GIADRO CC(C)CN(C(=O)c1ccc(CC[NH+](C)C)cc1)[C@H]1CCCc2cccnc21 ZINC000575194891 823935862 /nfs/dbraw/zinc/93/58/62/823935862.db2.gz VTGZDCNTVLERBN-QFIPXVFZSA-N 1 0 379.548 4.362 20 0 GIADRO Cc1[nH]nc(C(=O)Nc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)c1Br ZINC000065072342 823935981 /nfs/dbraw/zinc/93/59/81/823935981.db2.gz YSNHFIGFRSMNLP-GFCCVEGCSA-N 1 0 391.313 4.107 20 0 GIADRO COc1ccccc1-c1ccc(C[NH2+]CCOc2ccc3c(c2)OCO3)cc1 ZINC000462351465 823936170 /nfs/dbraw/zinc/93/61/70/823936170.db2.gz HFSPLYPTIKPFMT-UHFFFAOYSA-N 1 0 377.440 4.260 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@@H]2CCCOc3ccc(Cl)cc32)cn1 ZINC000414237586 823936660 /nfs/dbraw/zinc/93/66/60/823936660.db2.gz BLCZUXHIPVBEPL-BOUXLOLZSA-N 1 0 375.900 4.138 20 0 GIADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC3c4ccccc4C2c2ccccc23)C1 ZINC000575200839 823937424 /nfs/dbraw/zinc/93/74/24/823937424.db2.gz LSCFQXJJNNOPQC-OMYRSMHSSA-N 1 0 395.568 4.229 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@H](C)[C@@H]2C[C@H]2c2ccc(Cl)s2)cn1 ZINC000414242178 823938068 /nfs/dbraw/zinc/93/80/68/823938068.db2.gz HIKASRCRQFFIAD-AIIJBHBYSA-N 1 0 379.957 4.477 20 0 GIADRO CCC(C)(C)C1CCC([NH2+]Cc2ccc(OCC(=O)N(C)C)c(OC)c2)CC1 ZINC000462356055 823938645 /nfs/dbraw/zinc/93/86/45/823938645.db2.gz DDTODFHIXMHURC-UHFFFAOYSA-N 1 0 390.568 4.247 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@H](C[C@H]2CCCO2)c2ccc(F)cc2)cn1 ZINC000414244177 823938836 /nfs/dbraw/zinc/93/88/36/823938836.db2.gz KTLOCPQIYQFCRE-ZHNGQKSSSA-N 1 0 387.499 4.020 20 0 GIADRO C[C@@H](NC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc(F)c1F ZINC000126739697 823939169 /nfs/dbraw/zinc/93/91/69/823939169.db2.gz JUUSJRKAIITFQJ-CABCVRRESA-N 1 0 393.503 4.299 20 0 GIADRO C[C@@H]1C[C@H](C[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)[C@H](C)O1 ZINC000414247127 823939879 /nfs/dbraw/zinc/93/98/79/823939879.db2.gz CJIZGFJZKFZEBJ-QOIYZWAUSA-N 1 0 382.342 4.320 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@@H](C)c2ccc(OC(F)(F)F)cc2)cn1 ZINC000414246806 823939891 /nfs/dbraw/zinc/93/98/91/823939891.db2.gz NPNMAAQIYCACPV-DHSIGJKJSA-N 1 0 383.414 4.230 20 0 GIADRO C[C@H]([NH2+]C[C@H]1C[C@@H](C)O[C@H]1C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000414251643 823941315 /nfs/dbraw/zinc/94/13/15/823941315.db2.gz ACYMJZSFUSFKML-DOADOZAASA-N 1 0 379.504 4.377 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@@H](C)c2cc(C)ccc2OC(F)F)cn1 ZINC000414252893 823941643 /nfs/dbraw/zinc/94/16/43/823941643.db2.gz SZAUYUYRGJBBOU-YZVOILCLSA-N 1 0 379.451 4.241 20 0 GIADRO CC(C)(CC[NH2+][C@@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1)S(C)(=O)=O ZINC000414254010 823942469 /nfs/dbraw/zinc/94/24/69/823942469.db2.gz IQJAJSSJASBVOG-GDBMZVCRSA-N 1 0 377.472 4.144 20 0 GIADRO Cc1noc(-c2ccccc2)c1NC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000126763743 823945286 /nfs/dbraw/zinc/94/52/86/823945286.db2.gz ZIHYWRFFMWCIKK-SFHVURJKSA-N 1 0 382.439 4.214 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)c3ccc(-c4noc(C(F)F)n4)cc3)ccc21 ZINC000575224060 823945831 /nfs/dbraw/zinc/94/58/31/823945831.db2.gz RVLXWMLVZYJTJT-QGZVFWFLSA-N 1 0 398.413 4.475 20 0 GIADRO Cc1ccc(-c2nc3c(s2)[C@@H]([NH2+]CCC(C)(C)S(C)(=O)=O)CCC3)cc1 ZINC000414266804 823946710 /nfs/dbraw/zinc/94/67/10/823946710.db2.gz RTYWPOJLJYFVBG-INIZCTEOSA-N 1 0 392.590 4.299 20 0 GIADRO Cn1cc([C@@H]2OCC[C@H]2C[NH2+]C2CC(c3ccc(C(F)(F)F)cc3)C2)cn1 ZINC000414269209 823947558 /nfs/dbraw/zinc/94/75/58/823947558.db2.gz KKPWSYPOIVPOHQ-JTLJZCETSA-N 1 0 379.426 4.052 20 0 GIADRO CC(C)(CC[NH2+][C@@H]1CCCOc2c(Cl)c(Cl)ccc21)S(C)(=O)=O ZINC000414268838 823947621 /nfs/dbraw/zinc/94/76/21/823947621.db2.gz UAEZFPGGNVERMV-CYBMUJFWSA-N 1 0 380.337 4.010 20 0 GIADRO CC(C)(CC[NH2+][C@H]1CCCCc2cc(Br)ccc21)S(C)(=O)=O ZINC000414271938 823948553 /nfs/dbraw/zinc/94/85/53/823948553.db2.gz XLNBNFJKFDSODF-INIZCTEOSA-N 1 0 388.371 4.020 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cnn(-c2ccccc2)c1C(C)C ZINC000192332298 823948941 /nfs/dbraw/zinc/94/89/41/823948941.db2.gz JYMQFCHOUYBOHK-MJGOQNOKSA-N 1 0 381.524 4.086 20 0 GIADRO COc1ccc(-c2noc(CN3CCC(c4ncccc4Cl)CC3)n2)cc1 ZINC000575239225 823949158 /nfs/dbraw/zinc/94/91/58/823949158.db2.gz LAAYEPJKNRKGLP-UHFFFAOYSA-N 1 0 384.867 4.173 20 0 GIADRO Cc1ccc([C@H](CNC(=O)CCCOCc2ccccc2)[NH+]2CCCC2)cc1 ZINC000065129180 823949252 /nfs/dbraw/zinc/94/92/52/823949252.db2.gz XWPMWGLWMCDDQO-QHCPKHFHSA-N 1 0 380.532 4.245 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000065140600 823950895 /nfs/dbraw/zinc/95/08/95/823950895.db2.gz WYCRHFGLNTXEGN-DNVCBOLYSA-N 1 0 394.906 4.295 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)Nc2cnn(-c3ccccc3)c2C(C)C)CC1 ZINC000192337755 823951115 /nfs/dbraw/zinc/95/11/15/823951115.db2.gz HBAZQEXHZWHBOH-UHFFFAOYSA-N 1 0 383.540 4.334 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)C2CCCC2)C1)c1ccc(SCC(F)F)cc1 ZINC000126787438 823951291 /nfs/dbraw/zinc/95/12/91/823951291.db2.gz BFRWCVKGPXAUKI-WMLDXEAASA-N 1 0 382.520 4.486 20 0 GIADRO Cc1cc(C[NH2+]Cc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)ccc1C(F)(F)F ZINC000414285120 823951593 /nfs/dbraw/zinc/95/15/93/823951593.db2.gz LDIBQHHGKFORSI-HOTGVXAUSA-N 1 0 393.453 4.312 20 0 GIADRO O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000170719291 823953087 /nfs/dbraw/zinc/95/30/87/823953087.db2.gz SQOZOJYMEUFKNP-SFHVURJKSA-N 1 0 376.460 4.197 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)Nc3ccc(OC)cc3C)c(C)c2)CC1 ZINC000170717119 823953109 /nfs/dbraw/zinc/95/31/09/823953109.db2.gz RFOAPJGZOPWLFP-UHFFFAOYSA-N 1 0 382.508 4.098 20 0 GIADRO Cc1ccc(C[NH+]2CCC(C(=O)N[C@@H](C)C(C)C)CC2)cc1Br ZINC000126797104 823953568 /nfs/dbraw/zinc/95/35/68/823953568.db2.gz MVMMOVSVMBMSOL-HNNXBMFYSA-N 1 0 381.358 4.130 20 0 GIADRO CCOc1cc(CNc2[nH+]ccn2CC)cc(Br)c1OC(F)F ZINC000414301429 823954225 /nfs/dbraw/zinc/95/42/25/823954225.db2.gz MXIMTQPIRAEYRO-UHFFFAOYSA-N 1 0 390.228 4.278 20 0 GIADRO O=C(C[N@@H+](Cc1ccccc1)CC1CCC1)N(Cc1ccco1)CC(F)(F)F ZINC000065161359 823954476 /nfs/dbraw/zinc/95/44/76/823954476.db2.gz AUSDGPJMTGNZMY-UHFFFAOYSA-N 1 0 394.437 4.473 20 0 GIADRO C[C@@H](COc1ccc(C(C)(C)C)cc1)[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000414305847 823954587 /nfs/dbraw/zinc/95/45/87/823954587.db2.gz DPSJWWCMSQHYLE-AWEZNQCLSA-N 1 0 381.563 4.006 20 0 GIADRO O=C1CC[C@H](c2cccc(N[C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)c2)N1 ZINC000414310445 823955700 /nfs/dbraw/zinc/95/57/00/823955700.db2.gz HNEIIPUSLKDSTL-KAOXLYBCSA-N 1 0 375.516 4.245 20 0 GIADRO CC[NH+](CC)CCCNC(=O)c1c(C)nn(Cc2ccccc2Cl)c1Cl ZINC000126812017 823957387 /nfs/dbraw/zinc/95/73/87/823957387.db2.gz PPHMOABIRPISAL-UHFFFAOYSA-N 1 0 397.350 4.008 20 0 GIADRO c1csc(-c2nc(CNC[C@H]3C[N@H+](Cc4ccccc4)CCCO3)cs2)c1 ZINC000192355373 823957385 /nfs/dbraw/zinc/95/73/85/823957385.db2.gz UIGSZJVIWWRZPZ-IBGZPJMESA-N 1 0 399.585 4.252 20 0 GIADRO CC[C@H]([NH2+]CC1(CS(C)(=O)=O)CCC1)c1ccc2cc(OC)ccc2c1 ZINC000414323034 823958464 /nfs/dbraw/zinc/95/84/64/823958464.db2.gz GNSPQTXTUKZGER-FQEVSTJZSA-N 1 0 375.534 4.104 20 0 GIADRO CC[NH+](CC)CCCNC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 ZINC000126819460 823958656 /nfs/dbraw/zinc/95/86/56/823958656.db2.gz XIWBJVSUGZDPDN-UHFFFAOYSA-N 1 0 393.940 4.116 20 0 GIADRO COC[C@@H]([NH2+]Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1)C(C)C ZINC000575345468 823959228 /nfs/dbraw/zinc/95/92/28/823959228.db2.gz DXWAGPLOOZNYQH-OAHLLOKOSA-N 1 0 391.924 4.478 20 0 GIADRO C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000192363714 823959563 /nfs/dbraw/zinc/95/95/63/823959563.db2.gz OPFAOPSZMLOYRN-DNVCBOLYSA-N 1 0 378.472 4.325 20 0 GIADRO C[C@@H]([NH2+]CC1(CS(C)(=O)=O)CCC1)c1cccc(OCc2ccccc2)c1 ZINC000414330677 823959674 /nfs/dbraw/zinc/95/96/74/823959674.db2.gz QCOWNUQFQOHYPE-GOSISDBHSA-N 1 0 387.545 4.131 20 0 GIADRO C[C@H]([NH2+]CC1(CS(C)(=O)=O)CCC1)c1ccc(OCc2ccccc2)cc1 ZINC000414338637 823961193 /nfs/dbraw/zinc/96/11/93/823961193.db2.gz YRIITEAFWJPKFZ-SFHVURJKSA-N 1 0 387.545 4.131 20 0 GIADRO CC[C@H](CSc1ccc(Cl)cc1)[NH2+][C@@H]1CCC[C@@H]2CN(C(C)=O)C[C@@H]21 ZINC000575356686 823961536 /nfs/dbraw/zinc/96/15/36/823961536.db2.gz PFJQLHDWVZSDGX-WSTLGDPDSA-N 1 0 380.985 4.447 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)Cc1cn(C)c2ccc(F)cc12)c1ccc(C(=O)N(C)C)cc1 ZINC000414343411 823961583 /nfs/dbraw/zinc/96/15/83/823961583.db2.gz AYMBXHSCGXYBQU-JKSUJKDBSA-N 1 0 381.495 4.301 20 0 GIADRO CCS(=O)(=O)CCC[NH2+]C1CCC(c2cccc(C(F)(F)F)c2)CC1 ZINC000414344987 823962021 /nfs/dbraw/zinc/96/20/21/823962021.db2.gz SDTIXOBZRYYVEW-UHFFFAOYSA-N 1 0 377.472 4.146 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@@H](C)C(=O)NC(C)C)cnn1-c1ccc(Cl)cc1Cl ZINC000414345727 823962301 /nfs/dbraw/zinc/96/23/01/823962301.db2.gz PCJWIEDETGOTIY-RYUDHWBXSA-N 1 0 383.323 4.051 20 0 GIADRO CC[C@H](c1ccncc1)N(C)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000126835947 823962466 /nfs/dbraw/zinc/96/24/66/823962466.db2.gz MCJKVPKKXADGEV-XMSQKQJNSA-N 1 0 380.536 4.400 20 0 GIADRO Cc1nc(C(F)(F)F)sc1C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000462407792 823963222 /nfs/dbraw/zinc/96/32/22/823963222.db2.gz GZNPIFVPRUXHJG-LBPRGKRZSA-N 1 0 391.846 4.156 20 0 GIADRO CC(C)[C@H]1C[C@@H]([NH2+]C2CCN(Cc3cccc(Br)c3)CC2)CCO1 ZINC000414352310 823963153 /nfs/dbraw/zinc/96/31/53/823963153.db2.gz PIBJNTSEZIMKTP-VQTJNVASSA-N 1 0 395.385 4.207 20 0 GIADRO CC[NH+](CC)CCOc1ccc(-c2noc([C@@H]3CCCSC3)n2)cc1OC ZINC000575371585 823964157 /nfs/dbraw/zinc/96/41/57/823964157.db2.gz QSFNNMJWCMXRRD-MRXNPFEDSA-N 1 0 391.537 4.076 20 0 GIADRO CS(=O)(=O)c1ccc(C[NH2+]C2(c3cccc(C(F)(F)F)c3)CCC2)s1 ZINC000414358473 823964492 /nfs/dbraw/zinc/96/44/92/823964492.db2.gz LUYYVLKUNRZGJC-UHFFFAOYSA-N 1 0 389.464 4.339 20 0 GIADRO COc1cc(C[NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)cc(Br)c1O ZINC000192375644 823964451 /nfs/dbraw/zinc/96/44/51/823964451.db2.gz UIJDOPGCFCEAEW-KXBFYZLASA-N 1 0 392.293 4.031 20 0 GIADRO C[C@@H]([NH2+]C[C@@H]1CCCN(Cc2cccs2)C1)c1ccc([S@@](C)=O)cc1 ZINC000126847226 823965130 /nfs/dbraw/zinc/96/51/30/823965130.db2.gz WTUDDAQIRSQSSA-YPBQGGFRSA-N 1 0 376.591 4.048 20 0 GIADRO CCOc1cc(CN2CCC([NH3+])CC2)ccc1OCc1c(F)cccc1Cl ZINC000575401067 823967051 /nfs/dbraw/zinc/96/70/51/823967051.db2.gz FTWAVKCNHSDXOA-UHFFFAOYSA-N 1 0 392.902 4.380 20 0 GIADRO Cc1ccc2[nH+]cc(C(=O)[O-])c(NC[C@@H]3CCC[N@@H+](C)[C@@H]3c3cccs3)c2c1 ZINC000575408920 823967751 /nfs/dbraw/zinc/96/77/51/823967751.db2.gz APIPSBUJOYIASS-BTYIYWSLSA-N 1 0 395.528 4.220 20 0 GIADRO CC[C@@H](Oc1ccccc1F)C(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000575411798 823968301 /nfs/dbraw/zinc/96/83/01/823968301.db2.gz CFLVKGXPRRDDGN-QPPBQGQZSA-N 1 0 396.506 4.108 20 0 GIADRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2sc(-c3ccccc3F)nc2C)C1 ZINC000575411613 823968366 /nfs/dbraw/zinc/96/83/66/823968366.db2.gz UIUBBEGPBKLNGY-OAHLLOKOSA-N 1 0 375.513 4.062 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1cnc(-c2ccccn2)s1)c1ccsc1 ZINC000170779452 823969743 /nfs/dbraw/zinc/96/97/43/823969743.db2.gz UBRXYWNFVNSWSC-INIZCTEOSA-N 1 0 386.546 4.080 20 0 GIADRO C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)N1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000575427671 823969846 /nfs/dbraw/zinc/96/98/46/823969846.db2.gz XSOPYPXUEAOFRB-JKSUJKDBSA-N 1 0 389.927 4.241 20 0 GIADRO C[C@H](NC(=O)C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1)c1ccc(F)cc1 ZINC000126868668 823970409 /nfs/dbraw/zinc/97/04/09/823970409.db2.gz NCDXGDHNDRLDSF-RDJZCZTQSA-N 1 0 381.451 4.024 20 0 GIADRO C[C@H]([NH2+][C@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1)c1cccc(O)c1 ZINC000575473042 823973120 /nfs/dbraw/zinc/97/31/20/823973120.db2.gz YSWKXVMMMYDABN-RYQLBKOJSA-N 1 0 378.472 4.040 20 0 GIADRO C[N@@H+]1CCCN(c2ccc(NC(=O)Cc3c[nH]c4cc(Cl)ccc34)cc2)CC1 ZINC000170794075 823973170 /nfs/dbraw/zinc/97/31/70/823973170.db2.gz BJZJRRFGXUQAKI-UHFFFAOYSA-N 1 0 396.922 4.144 20 0 GIADRO C[C@H](c1ccncc1)N(C)C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000126882120 823973493 /nfs/dbraw/zinc/97/34/93/823973493.db2.gz ZONIMDOZCCEQFD-MJGOQNOKSA-N 1 0 386.565 4.319 20 0 GIADRO Cc1nc(-c2ccc([C@H](C)NC(=O)[C@]3(c4ccccc4)CC[NH2+]C3)cc2)cs1 ZINC000575477430 823973877 /nfs/dbraw/zinc/97/38/77/823973877.db2.gz OSMYIKRDTOXSFJ-QMHKHESXSA-N 1 0 391.540 4.227 20 0 GIADRO C[C@H](CC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C)c1ccc(F)c(Br)c1 ZINC000462434882 823974190 /nfs/dbraw/zinc/97/41/90/823974190.db2.gz GBNZWWPXQZZAPT-YCPHGPKFSA-N 1 0 397.332 4.167 20 0 GIADRO O=C(CCc1cncc2ccccc21)NCc1ccccc1C[NH+]1CCCCC1 ZINC000462436799 823974933 /nfs/dbraw/zinc/97/49/33/823974933.db2.gz OZMKTJJVFYUYHO-UHFFFAOYSA-N 1 0 387.527 4.470 20 0 GIADRO CCCN(CCC)C(=O)c1cccc(C(=O)N2CCC([NH2+]C3CCCC3)CC2)c1 ZINC000126905470 823977993 /nfs/dbraw/zinc/97/79/93/823977993.db2.gz OQCKQGMHXSUJBP-UHFFFAOYSA-N 1 0 399.579 4.086 20 0 GIADRO CC(C)(C)[C@H](NC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)C(F)(F)F ZINC000575736618 823983579 /nfs/dbraw/zinc/98/35/79/823983579.db2.gz ZEXBPVXMAUIPIH-FXAWDEMLSA-N 1 0 397.485 4.271 20 0 GIADRO CCCOc1ccc(NC(=O)C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000126933049 823984433 /nfs/dbraw/zinc/98/44/33/823984433.db2.gz COEWOIYBXPKKBY-UHFFFAOYSA-N 1 0 395.503 4.039 20 0 GIADRO Cc1nn(-c2cccc(F)c2)cc1C[NH+]1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000414431892 823984497 /nfs/dbraw/zinc/98/44/97/823984497.db2.gz LVEMPXGWPOUIJO-UHFFFAOYSA-N 1 0 397.469 4.029 20 0 GIADRO COc1cncc(/C=C/CC[N@H+](C)CC(=O)Nc2c(Cl)cccc2Cl)c1 ZINC000575744526 823985146 /nfs/dbraw/zinc/98/51/46/823985146.db2.gz BHHMMUHJJRLXOP-ZZXKWVIFSA-N 1 0 394.302 4.371 20 0 GIADRO COc1cncc(/C=C\CC[N@H+](C)CC(=O)Nc2c(Cl)cccc2Cl)c1 ZINC000575744525 823985166 /nfs/dbraw/zinc/98/51/66/823985166.db2.gz BHHMMUHJJRLXOP-UTCJRWHESA-N 1 0 394.302 4.371 20 0 GIADRO O=C(Nc1cc(C(F)(F)F)ccn1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000192425413 823987487 /nfs/dbraw/zinc/98/74/87/823987487.db2.gz XGCAYKYHLNATJM-OAHLLOKOSA-N 1 0 384.446 4.220 20 0 GIADRO COc1cc(C[NH2+][C@@H]2CCO[C@@H](c3cccs3)C2)cc(Br)c1O ZINC000575757750 823987533 /nfs/dbraw/zinc/98/75/33/823987533.db2.gz LDYQINVFYLLDJH-TZMCWYRMSA-N 1 0 398.322 4.235 20 0 GIADRO COc1cc([C@@H](C)[NH2+]Cc2ccc(Oc3c(OC)cccc3OC)nc2)ccn1 ZINC000575762581 823988576 /nfs/dbraw/zinc/98/85/76/823988576.db2.gz YOHNIOPOHDCMPW-OAHLLOKOSA-N 1 0 395.459 4.146 20 0 GIADRO Cc1nn(-c2cccc(F)c2)cc1C[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000414459668 823989055 /nfs/dbraw/zinc/98/90/55/823989055.db2.gz MJLVEYMDCAHPFU-UHFFFAOYSA-N 1 0 391.490 4.384 20 0 GIADRO CC(=O)N1CCC([NH2+][C@H](c2ccccc2)c2ccc(Br)cc2)CC1 ZINC000126957597 823989473 /nfs/dbraw/zinc/98/94/73/823989473.db2.gz ZHFJYVAZHAXZKJ-HXUWFJFHSA-N 1 0 387.321 4.139 20 0 GIADRO Cc1cc(C[N@H+]2C[C@@H](c3cnn(C)c3)C3(C2)CCOCC3)ccc1C(F)(F)F ZINC000414466307 823990150 /nfs/dbraw/zinc/99/01/50/823990150.db2.gz GXOGAXZTRPCYEJ-IBGZPJMESA-N 1 0 393.453 4.144 20 0 GIADRO CSc1cc(Br)ccc1C[NH+]1CCC(c2ccncn2)CC1 ZINC000414470185 823990828 /nfs/dbraw/zinc/99/08/28/823990828.db2.gz LCZDIAYPFLHOJY-UHFFFAOYSA-N 1 0 378.339 4.341 20 0 GIADRO O=C(CCC(F)(F)F)N1CCC[C@@H]([NH2+]Cc2cnc(C3CCCC3)s2)C1 ZINC000575781177 823992820 /nfs/dbraw/zinc/99/28/20/823992820.db2.gz CRZNBMIZSUFNSV-CQSZACIVSA-N 1 0 389.487 4.224 20 0 GIADRO COc1cccc([C@@H](C)CC(=O)NC[C@H](c2ccc(SC)cc2)[NH+](C)C)c1 ZINC000575779886 823992884 /nfs/dbraw/zinc/99/28/84/823992884.db2.gz JILNEUPJDPWLLC-HRAATJIYSA-N 1 0 386.561 4.330 20 0 GIADRO COc1cc(NCc2nc3c(s2)C[N@@H+](C(C)C)CC3)c(Cl)c(OC)c1 ZINC000414486009 823993007 /nfs/dbraw/zinc/99/30/07/823993007.db2.gz MNUXXKZSWZZBHF-UHFFFAOYSA-N 1 0 381.929 4.192 20 0 GIADRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)CC[C@@H](C)NC(=O)OC(C)(C)C)c2C1 ZINC000192438088 823993015 /nfs/dbraw/zinc/99/30/15/823993015.db2.gz JPELOCONJXDDLP-MRXNPFEDSA-N 1 0 389.540 4.290 20 0 GIADRO C[C@@H](c1cn(C)c2ccccc12)c1nc(-c2ccccc2OCC[NH+](C)C)no1 ZINC000575783978 823994267 /nfs/dbraw/zinc/99/42/67/823994267.db2.gz MPOQFRJQQVWGDD-INIZCTEOSA-N 1 0 390.487 4.321 20 0 GIADRO CCCOc1cccc(C[NH2+]Cc2cc(Cl)cc(S(=O)(=O)CC)c2)c1 ZINC000414488364 823994293 /nfs/dbraw/zinc/99/42/93/823994293.db2.gz WTXPSSWPLIXBGK-UHFFFAOYSA-N 1 0 381.925 4.212 20 0 GIADRO C[C@@H](CNC(=O)c1c(Cl)nccc1C(F)(F)F)[N@H+](C)Cc1ccccc1 ZINC000126985599 823994973 /nfs/dbraw/zinc/99/49/73/823994973.db2.gz LQEAAMYZQICAJK-LBPRGKRZSA-N 1 0 385.817 4.004 20 0 GIADRO CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH2+][C@H]1CCO[C@@]2(CCSC2)C1 ZINC000126985165 823995004 /nfs/dbraw/zinc/99/50/04/823995004.db2.gz BIWKGDXKAMCSMS-REWPJTCUSA-N 1 0 399.604 4.373 20 0 GIADRO COc1cccc2c1CC[C@@H]([NH2+]CCc1nc(-c3cccc(Cl)c3)no1)C2 ZINC000192445495 823995331 /nfs/dbraw/zinc/99/53/31/823995331.db2.gz NNRGPTNKBMCMMF-QGZVFWFLSA-N 1 0 383.879 4.088 20 0 GIADRO COc1ccc(C[NH2+][C@@H]2Cc3ccccc3[C@@H]2OC)cc1OCc1cccnc1 ZINC000414496311 823995414 /nfs/dbraw/zinc/99/54/14/823995414.db2.gz QFXHRSCOIOORTF-QPPBQGQZSA-N 1 0 390.483 4.071 20 0 GIADRO CCOc1cc(C[NH2+][C@H](CC)c2ccccc2)ccc1O[C@H](C)C(=O)N(C)C ZINC000414497861 823995744 /nfs/dbraw/zinc/99/57/44/823995744.db2.gz UVEURFANWWJYHO-YLJYHZDGSA-N 1 0 384.520 4.182 20 0 GIADRO COC(=O)CCn1nc(C)c(C[NH2+][C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)c1C ZINC000414498113 823995809 /nfs/dbraw/zinc/99/58/09/823995809.db2.gz HPLJLKOPXYNGEP-PKOBYXMFSA-N 1 0 389.927 4.142 20 0 GIADRO COC(=O)CCn1nc(C)c(C[NH2+][C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)c1C ZINC000414498112 823995972 /nfs/dbraw/zinc/99/59/72/823995972.db2.gz HPLJLKOPXYNGEP-MJGOQNOKSA-N 1 0 389.927 4.142 20 0 GIADRO CCOC(=O)c1ccn(-c2cccc(C[NH2+]Cc3ccc([C@@H]4C[C@@H]4C)o3)c2)n1 ZINC000575787944 823996033 /nfs/dbraw/zinc/99/60/33/823996033.db2.gz IVTGBPKOWRJIQT-HNAYVOBHSA-N 1 0 379.460 4.055 20 0 GIADRO Cn1c2ccc(C[NH2+]CCc3csc(-c4ccccc4)n3)cc2sc1=O ZINC000192454299 823997337 /nfs/dbraw/zinc/99/73/37/823997337.db2.gz QPJUSYPKRTZWOU-UHFFFAOYSA-N 1 0 381.526 4.056 20 0 GIADRO C[C@@H](c1ccncc1)N(C)C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000126998187 823997390 /nfs/dbraw/zinc/99/73/90/823997390.db2.gz CQLIVLQLVUDBGW-IBGZPJMESA-N 1 0 380.536 4.216 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000192456304 823997744 /nfs/dbraw/zinc/99/77/44/823997744.db2.gz ICUNSXHIEKBHNZ-ZDUSSCGKSA-N 1 0 387.524 4.309 20 0 GIADRO C/C(=C/c1ccccc1OC(F)F)C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000575794032 823998340 /nfs/dbraw/zinc/99/83/40/823998340.db2.gz PYFSSOJWYCVYME-UILAEWCASA-N 1 0 379.369 4.327 20 0 GIADRO C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(Br)c(Br)c2)[C@H](C)O1 ZINC000414510541 823998436 /nfs/dbraw/zinc/99/84/36/823998436.db2.gz FGECZNQKMNWLDC-SCVCMEIPSA-N 1 0 377.120 4.115 20 0 GIADRO COc1ccc(C(=O)Nc2cccc(C[NH2+]CC(C)(C)OCC3CC3)c2)cc1 ZINC000414516034 823999791 /nfs/dbraw/zinc/99/97/91/823999791.db2.gz NNQILTKHHDPGNT-UHFFFAOYSA-N 1 0 382.504 4.242 20 0 GIADRO CO[C@@H]1CCN(C(=O)Nc2ccc(SCC[NH+]3CCCCC3)cc2)C[C@@H]1C ZINC000575801482 823999850 /nfs/dbraw/zinc/99/98/50/823999850.db2.gz VLEZWGKFKSKSPD-FXAWDEMLSA-N 1 0 391.581 4.153 20 0 GIADRO OCC1([C@H]([NH2+]Cc2ccc(-n3cncn3)cc2)c2ccccc2)CCCCC1 ZINC000414519472 824000475 /nfs/dbraw/zinc/00/04/75/824000475.db2.gz CITMDQSDXNFPLT-JOCHJYFZSA-N 1 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824001975 /nfs/dbraw/zinc/00/19/75/824001975.db2.gz FMNYCULZSXAMDG-ZBFHGGJFSA-N 1 0 389.952 4.241 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1-c1noc(-c2ccn3c(C)cnc3c2)n1 ZINC000575816518 824002383 /nfs/dbraw/zinc/00/23/83/824002383.db2.gz SENUXZVGVALCCI-UHFFFAOYSA-N 1 0 391.475 4.080 20 0 GIADRO COc1cc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCOCC2)ccc1OC(C)C ZINC000414532557 824003269 /nfs/dbraw/zinc/00/32/69/824003269.db2.gz DHPZSFXHIYJJCG-QHCPKHFHSA-N 1 0 399.531 4.102 20 0 GIADRO CC[C@H](C)[N@H+](CCc1ccccn1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000192470775 824003495 /nfs/dbraw/zinc/00/34/95/824003495.db2.gz WRTOYBXJSVPWLI-HNNXBMFYSA-N 1 0 379.426 4.382 20 0 GIADRO COc1ccc(OC)c([C@H]2CCCN2C(=O)C[NH2+]C2(c3ccccc3)CCC2)c1 ZINC000170907446 824003725 /nfs/dbraw/zinc/00/37/25/824003725.db2.gz OWLFEHOMESCVQC-OAQYLSRUSA-N 1 0 394.515 4.036 20 0 GIADRO OCC1([C@@H]([NH2+]Cc2ccc(F)c(C(F)(F)F)c2)c2ccccc2)CCOCC1 ZINC000414534937 824004333 /nfs/dbraw/zinc/00/43/33/824004333.db2.gz HHIPAWLEUJVUAX-IBGZPJMESA-N 1 0 397.412 4.465 20 0 GIADRO OC[C@@H](C[NH2+]Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1)c1ccc(F)cc1 ZINC000414535841 824004365 /nfs/dbraw/zinc/00/43/65/824004365.db2.gz WWGFGYFGSLLZEU-MRXNPFEDSA-N 1 0 393.384 4.100 20 0 GIADRO Cc1oc(-c2ccsc2)nc1CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000575827979 824005705 /nfs/dbraw/zinc/00/57/05/824005705.db2.gz BRJWFPOAKAEWQC-DNVCBOLYSA-N 1 0 395.528 4.033 20 0 GIADRO CSc1ccccc1OC[C@@H](O)C[N@H+](Cc1cnc2cccc(C)n12)C(C)C ZINC000414541351 824006373 /nfs/dbraw/zinc/00/63/73/824006373.db2.gz CNMZXNVLHOTNAD-IBGZPJMESA-N 1 0 399.560 4.015 20 0 GIADRO COC(=O)c1ccccc1N(C)C(=O)C[NH2+][C@H](C)c1ccc(F)c2ccccc21 ZINC000575832443 824006721 /nfs/dbraw/zinc/00/67/21/824006721.db2.gz CNRMRUBAGBEKOI-OAHLLOKOSA-N 1 0 394.446 4.079 20 0 GIADRO C[C@@H](c1ccncc1)N(C)C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000127048245 824006834 /nfs/dbraw/zinc/00/68/34/824006834.db2.gz WDOBAJSLHHWLON-IBGZPJMESA-N 1 0 380.536 4.216 20 0 GIADRO COc1ccc(C[N@H+](C)Cc2ccc(OCc3noc(C)n3)cc2)cc1Cl ZINC000414544384 824007012 /nfs/dbraw/zinc/00/70/12/824007012.db2.gz CSGLNOZSMZNKBE-UHFFFAOYSA-N 1 0 387.867 4.251 20 0 GIADRO CCCOc1ccc(C[NH2+][C@H](c2ccccc2)C2(CO)CCOCC2)cc1OC ZINC000414546915 824007898 /nfs/dbraw/zinc/00/78/98/824007898.db2.gz YSMBDRBGIXOOIN-HSZRJFAPSA-N 1 0 399.531 4.104 20 0 GIADRO OCC1([C@@H]([NH2+]Cc2cnc(-c3ccco3)s2)c2ccccc2)CCOCC1 ZINC000414547274 824007965 /nfs/dbraw/zinc/00/79/65/824007965.db2.gz ZDKMNLLTHXTPRO-IBGZPJMESA-N 1 0 384.501 4.023 20 0 GIADRO CCCOc1ccccc1NC(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000170934227 824008614 /nfs/dbraw/zinc/00/86/14/824008614.db2.gz GNMMUOPGGOWDDK-UHFFFAOYSA-N 1 0 396.535 4.041 20 0 GIADRO COc1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H](N3CCCC3=O)CC2)cc1 ZINC000414549857 824009029 /nfs/dbraw/zinc/00/90/29/824009029.db2.gz MBPCRSZRDNXGIX-OAQYLSRUSA-N 1 0 378.516 4.339 20 0 GIADRO COc1ccc(-c2ccccc2)cc1C[N@@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000414550506 824009632 /nfs/dbraw/zinc/00/96/32/824009632.db2.gz NIUAAYLTJUWRDA-JOCHJYFZSA-N 1 0 378.516 4.339 20 0 GIADRO CSc1ccc(C)c(C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)c1 ZINC000127078673 824012750 /nfs/dbraw/zinc/01/27/50/824012750.db2.gz NEXYJQATPLIGHN-UHFFFAOYSA-N 1 0 384.545 4.174 20 0 GIADRO C[C@H](Cc1cn(C)c2ccc(F)cc12)[NH2+]Cc1nccn1Cc1ccccc1 ZINC000414565710 824013938 /nfs/dbraw/zinc/01/39/38/824013938.db2.gz GWVXTVCXBZVYEC-QGZVFWFLSA-N 1 0 376.479 4.283 20 0 GIADRO Oc1ccc(Br)c(C[NH2+]CCc2coc(-c3ccc(F)cc3)n2)c1 ZINC000127083973 824014115 /nfs/dbraw/zinc/01/41/15/824014115.db2.gz RTEZEGNQWWSGLB-UHFFFAOYSA-N 1 0 391.240 4.281 20 0 GIADRO COc1ccc(OC)c([C@H]2CCCN2C(=O)C[NH2+][C@@H](c2ccccc2)C2CC2)c1 ZINC000192507135 824014522 /nfs/dbraw/zinc/01/45/22/824014522.db2.gz OWFFTGTZWKYIFL-QPPBQGQZSA-N 1 0 394.515 4.108 20 0 GIADRO C[C@H](NC(=O)N1CCC[C@H]1C[NH+]1CCCC1)c1nc(-c2ccccc2)cs1 ZINC000170955875 824017361 /nfs/dbraw/zinc/01/73/61/824017361.db2.gz PPXXAZIMJBGMPC-WMZOPIPTSA-N 1 0 384.549 4.141 20 0 GIADRO Cn1c2ccc(C[NH2+]Cc3ccc(Oc4cccc(F)c4)nc3)cc2sc1=O ZINC000192528807 824020590 /nfs/dbraw/zinc/02/05/90/824020590.db2.gz IOQHGAWRTSAJGT-UHFFFAOYSA-N 1 0 395.459 4.216 20 0 GIADRO O=C(Nc1ccc(Cl)cc1F)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000192529979 824021246 /nfs/dbraw/zinc/02/12/46/824021246.db2.gz SKMCJEZGPCOMMM-UHFFFAOYSA-N 1 0 375.875 4.308 20 0 GIADRO CNS(=O)(=O)Cc1ccc(C[NH2+][C@@H]2CCCc3ccc(C(C)C)cc32)cc1 ZINC000127119757 824021676 /nfs/dbraw/zinc/02/16/76/824021676.db2.gz QEFWRMQSPRZLOH-JOCHJYFZSA-N 1 0 386.561 4.026 20 0 GIADRO CC(C)c1ccc([C@@H](NC(=O)C(=O)Nc2ccc([C@H](C)[NH3+])cc2)C(C)C)cc1 ZINC000414668324 824022201 /nfs/dbraw/zinc/02/22/01/824022201.db2.gz ZZRWHTLTEQBPDB-KKSFZXQISA-N 1 0 381.520 4.282 20 0 GIADRO Cc1ccc(Cl)cc1NC(=O)C[NH2+]C1(c2ccc(F)cc2)CCOCC1 ZINC000170970865 824023164 /nfs/dbraw/zinc/02/31/64/824023164.db2.gz ZEWROOIRNBXEQM-UHFFFAOYSA-N 1 0 376.859 4.022 20 0 GIADRO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@@H](CC(C)(C)C)c2ccc(F)cc2)cc1 ZINC000414691580 824024138 /nfs/dbraw/zinc/02/41/38/824024138.db2.gz JTKBNAQDLFUIRB-LIRRHRJNSA-N 1 0 385.483 4.078 20 0 GIADRO O=C(Nc1ccc(Br)cc1Cl)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000414707011 824025114 /nfs/dbraw/zinc/02/51/14/824025114.db2.gz BLBQVKCLPYBKNU-CQSZACIVSA-N 1 0 386.721 4.098 20 0 GIADRO O=C(Nc1ccc(Br)cc1Cl)N1CCC2(CC[NH2+]CC2)CC1 ZINC000414716808 824026000 /nfs/dbraw/zinc/02/60/00/824026000.db2.gz OWYLUBVNQCTYCJ-UHFFFAOYSA-N 1 0 386.721 4.100 20 0 GIADRO CCCOc1ccc(C(F)(F)F)cc1NC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000414716432 824026190 /nfs/dbraw/zinc/02/61/90/824026190.db2.gz XYIQVWCNNABYMK-SFHVURJKSA-N 1 0 385.430 4.102 20 0 GIADRO Cc1ncccc1C(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000170979585 824026234 /nfs/dbraw/zinc/02/62/34/824026234.db2.gz NZVAAVZYAMNTQM-UHFFFAOYSA-N 1 0 391.437 4.145 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cc4ccccc4[nH]c3=O)cc2)C1 ZINC000192543600 824026881 /nfs/dbraw/zinc/02/68/81/824026881.db2.gz DLGIARYXPFQFOM-INIZCTEOSA-N 1 0 375.472 4.012 20 0 GIADRO [NH3+][C@H]1CCC[C@H](NC(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)C1 ZINC000414723893 824027491 /nfs/dbraw/zinc/02/74/91/824027491.db2.gz DACJIWNWFRVHNY-RDJZCZTQSA-N 1 0 380.517 4.279 20 0 GIADRO CCOc1ccc(Oc2ccccc2NC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000414723275 824027500 /nfs/dbraw/zinc/02/75/00/824027500.db2.gz IBIGTQIVKQJJSQ-HSZRJFAPSA-N 1 0 395.503 4.485 20 0 GIADRO C[C@@H]1CCCN(C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)[C@H]1C[NH3+] ZINC000414726590 824028348 /nfs/dbraw/zinc/02/83/48/824028348.db2.gz LHNCLNKEFLMMCS-BEFAXECRSA-N 1 0 394.544 4.478 20 0 GIADRO Cc1[nH+]ccc(NCc2cccc(-c3nc(CC(F)(F)F)no3)c2)c1Cl ZINC000575915435 824029177 /nfs/dbraw/zinc/02/91/77/824029177.db2.gz TXXMHOKEVYQDEY-UHFFFAOYSA-N 1 0 382.773 4.232 20 0 GIADRO CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H](c2cccs2)C(CC)CC)c1 ZINC000414732423 824029539 /nfs/dbraw/zinc/02/95/39/824029539.db2.gz ADHMRBUXUIAJMX-IBGZPJMESA-N 1 0 387.549 4.090 20 0 GIADRO CN(C)c1ccc(C(F)(F)F)cc1NC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000414731778 824029576 /nfs/dbraw/zinc/02/95/76/824029576.db2.gz HXRRONZTMAWEQU-YOEHRIQHSA-N 1 0 398.473 4.157 20 0 GIADRO C[C@H](CCC[NH3+])NC(=O)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1 ZINC000414731489 824029677 /nfs/dbraw/zinc/02/96/77/824029677.db2.gz HTFQXNNHESZLPM-LLVKDONJSA-N 1 0 386.443 4.002 20 0 GIADRO C[C@@H]1CCN(C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)C[C@@H]1C[NH3+] ZINC000414734626 824030285 /nfs/dbraw/zinc/03/02/85/824030285.db2.gz WIHJOFPVKBJWNR-WBVHZDCISA-N 1 0 394.544 4.336 20 0 GIADRO CCOc1ccc(Oc2ccc(NC(=O)N3CC[C@@H](C)[C@H](C[NH3+])C3)cc2)cc1 ZINC000414738684 824031037 /nfs/dbraw/zinc/03/10/37/824031037.db2.gz YYSOAMLYCNSLAX-IAGOWNOFSA-N 1 0 383.492 4.326 20 0 GIADRO CC(C)(C)[NH2+]CCN1CCC[C@@H]1c1nc(-c2ccccc2Br)no1 ZINC000414742477 824031526 /nfs/dbraw/zinc/03/15/26/824031526.db2.gz MJJIPZYUDNYLPV-OAHLLOKOSA-N 1 0 393.329 4.024 20 0 GIADRO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@@H](c1cccs1)C(CC)CC ZINC000414741814 824031627 /nfs/dbraw/zinc/03/16/27/824031627.db2.gz HVXJJONGUYBWFU-LJQANCHMSA-N 1 0 387.549 4.090 20 0 GIADRO C[C@H]1C[C@H](NC(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)CC[NH2+]1 ZINC000414742715 824031999 /nfs/dbraw/zinc/03/19/99/824031999.db2.gz ILYXPEGFHCSXTQ-GXFFZTMASA-N 1 0 384.427 4.091 20 0 GIADRO CC(C)(C)n1nc(C(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)cc1C1CC1 ZINC000575942250 824033552 /nfs/dbraw/zinc/03/35/52/824033552.db2.gz BXDGWSDJZTZUGT-IBGZPJMESA-N 1 0 386.584 4.290 20 0 GIADRO CC(C)Oc1ccc([C@H](C)[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)cc1Cl ZINC000575943339 824033840 /nfs/dbraw/zinc/03/38/40/824033840.db2.gz SLMVDBORHSMSTI-SUMWQHHRSA-N 1 0 394.865 4.041 20 0 GIADRO C[NH2+]C[C@H]1CCCN1C(=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1 ZINC000414774248 824035071 /nfs/dbraw/zinc/03/50/71/824035071.db2.gz BBLFZNQEQSWVLW-GOSISDBHSA-N 1 0 389.446 4.095 20 0 GIADRO CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2CNC2CC[NH2+]CC2)cc1 ZINC000414786950 824036233 /nfs/dbraw/zinc/03/62/33/824036233.db2.gz KMLQXFHJWREDCD-UHFFFAOYSA-N 1 0 390.531 4.168 20 0 GIADRO COc1cccc(C[N@@H+]2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)c1OC ZINC000575956239 824037060 /nfs/dbraw/zinc/03/70/60/824037060.db2.gz POCVZZWAYYRFIR-GOSISDBHSA-N 1 0 384.524 4.249 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2 ZINC000171014263 824037591 /nfs/dbraw/zinc/03/75/91/824037591.db2.gz FTNGPAMYCUVMAZ-UHFFFAOYSA-N 1 0 395.547 4.202 20 0 GIADRO CCCC[C@H](CN)[NH2+][C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414805173 824037942 /nfs/dbraw/zinc/03/79/42/824037942.db2.gz AEXVPDDYKJRYOR-WCQYABFASA-N 1 0 379.854 4.183 20 0 GIADRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1cc(NC(C)=O)ccc1OC)c1ccc(C)cc1 ZINC000192586074 824038277 /nfs/dbraw/zinc/03/82/77/824038277.db2.gz GYICYNKMGPKGAR-BEFAXECRSA-N 1 0 383.492 4.030 20 0 GIADRO CCN(CC)C(=O)c1ccc(NC(=O)Nc2ccc([C@H](C)[NH3+])cc2)cc1Cl ZINC000414811866 824038407 /nfs/dbraw/zinc/03/84/07/824038407.db2.gz ORQHMBQHEMSWAE-ZDUSSCGKSA-N 1 0 388.899 4.486 20 0 GIADRO C[C@H]([NH3+])c1ccc(NC(=O)Nc2ccccc2C(=O)N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000414813959 824038718 /nfs/dbraw/zinc/03/87/18/824038718.db2.gz NCPHYJFQURIFBX-BBWFWOEESA-N 1 0 394.519 4.468 20 0 GIADRO O=C(Nc1cc(Cl)ccc1N1CCCCC1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000414817955 824039009 /nfs/dbraw/zinc/03/90/09/824039009.db2.gz CCQNZQVTKHFPLB-UHFFFAOYSA-N 1 0 390.959 4.328 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(COC)cc1)c1cccc(OC)c1 ZINC000192588662 824039232 /nfs/dbraw/zinc/03/92/32/824039232.db2.gz NZRBMOHEKPUIMH-NRFANRHFSA-N 1 0 385.508 4.046 20 0 GIADRO CC[NH2+]CC1CCN(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)CC1 ZINC000414823847 824039651 /nfs/dbraw/zinc/03/96/51/824039651.db2.gz PMQIERMRAQRBED-UHFFFAOYSA-N 1 0 378.948 4.184 20 0 GIADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)Nc2cc(C(C)(C)C)nn2-c2cccc(Cl)c2)C1 ZINC000414827312 824039926 /nfs/dbraw/zinc/03/99/26/824039926.db2.gz BBQRZUXOONKVIV-UONOGXRCSA-N 1 0 389.931 4.024 20 0 GIADRO O=C(Nc1cc(Cl)ccc1N1CCCCC1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414824657 824040069 /nfs/dbraw/zinc/04/00/69/824040069.db2.gz REHCUJBRTUXHKZ-DLBZAZTESA-N 1 0 390.959 4.184 20 0 GIADRO Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000414840883 824040800 /nfs/dbraw/zinc/04/08/00/824040800.db2.gz KQXOFNHKHGKRGN-OAQYLSRUSA-N 1 0 394.519 4.276 20 0 GIADRO Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000414835600 824040908 /nfs/dbraw/zinc/04/09/08/824040908.db2.gz DMIUXGUPDZZHTN-FQEVSTJZSA-N 1 0 394.519 4.147 20 0 GIADRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)Nc1ccc(N(C)C)cc1C(F)(F)F ZINC000414843762 824041213 /nfs/dbraw/zinc/04/12/13/824041213.db2.gz CTNJCQIPDBNHIV-KRWDZBQOSA-N 1 0 394.441 4.155 20 0 GIADRO CN(C)c1ccc(NC(=O)N(CCC[NH3+])CC2CCCC2)c(C(F)(F)F)c1 ZINC000414843001 824041245 /nfs/dbraw/zinc/04/12/45/824041245.db2.gz BQRJSEYXMAYXGJ-UHFFFAOYSA-N 1 0 386.462 4.144 20 0 GIADRO CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@@H](c2ccccc2)C2CC2)c1 ZINC000192598319 824041763 /nfs/dbraw/zinc/04/17/63/824041763.db2.gz DKEXCQBZBZIWPV-JTSKRJEESA-N 1 0 393.531 4.237 20 0 GIADRO CN(C)c1ccc(NC(=O)N(CCC[NH3+])Cc2ccccc2)c(C(F)(F)F)c1 ZINC000414852058 824042240 /nfs/dbraw/zinc/04/22/40/824042240.db2.gz OZFRLLJIYNGVPI-UHFFFAOYSA-N 1 0 394.441 4.154 20 0 GIADRO COc1cccc([C@@H](NC(=O)C2CC[NH+](C3CC3)CC2)c2ccccc2Cl)c1 ZINC000192599187 824042272 /nfs/dbraw/zinc/04/22/72/824042272.db2.gz ZXMRLUIOUWNSFA-JOCHJYFZSA-N 1 0 398.934 4.429 20 0 GIADRO Cc1cc(Br)cc(C)c1NC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000414876357 824043796 /nfs/dbraw/zinc/04/37/96/824043796.db2.gz DFMOTCKYPCEBGN-CYBMUJFWSA-N 1 0 376.298 4.407 20 0 GIADRO COc1ccc(-c2nc(C[NH2+][C@@H]3[C@H]4CCCO[C@H]4C3(C)C)cs2)c(OC)c1 ZINC000575988910 824044817 /nfs/dbraw/zinc/04/48/17/824044817.db2.gz RZQJFCBVFPLFII-BHIYHBOVSA-N 1 0 388.533 4.121 20 0 GIADRO CC(C)C[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1)c1ccc(Cl)cc1 ZINC000414888359 824045890 /nfs/dbraw/zinc/04/58/90/824045890.db2.gz RKGPVBMXECIJTQ-KUHUBIRLSA-N 1 0 387.911 4.202 20 0 GIADRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000414891887 824046279 /nfs/dbraw/zinc/04/62/79/824046279.db2.gz OUDPIZPLASPFPG-MRXNPFEDSA-N 1 0 395.507 4.230 20 0 GIADRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000414892545 824046345 /nfs/dbraw/zinc/04/63/45/824046345.db2.gz QDCWFKFCBDMTAV-JXFKEZNVSA-N 1 0 395.507 4.373 20 0 GIADRO Cc1cc(Br)cc(C)c1NC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000414891149 824046403 /nfs/dbraw/zinc/04/64/03/824046403.db2.gz VGAJQLHZTYHWNE-WBVHZDCISA-N 1 0 394.357 4.452 20 0 GIADRO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NCc2csc(-c3cccs3)n2)cc1 ZINC000414894570 824046650 /nfs/dbraw/zinc/04/66/50/824046650.db2.gz ZOUCRUDLUWOSNR-ZWKOTPCHSA-N 1 0 385.558 4.116 20 0 GIADRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000414892982 824046746 /nfs/dbraw/zinc/04/67/46/824046746.db2.gz QPWGWUOMSQJWDX-HNAYVOBHSA-N 1 0 395.507 4.230 20 0 GIADRO NC(=O)c1cccc(CC[NH2+][C@@H](C(=O)c2c[nH]c3ccccc32)c2ccccc2)c1 ZINC000171047542 824046928 /nfs/dbraw/zinc/04/69/28/824046928.db2.gz GPSGQJBDSYSBDK-HSZRJFAPSA-N 1 0 397.478 4.023 20 0 GIADRO Cc1cc(NC(=O)N2CCC(C)=C(C)C2)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000575998448 824046987 /nfs/dbraw/zinc/04/69/87/824046987.db2.gz LOSOITOQCVRSGU-NRFANRHFSA-N 1 0 393.535 4.213 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)Cc3noc4ccc(F)cc43)cc2)C1 ZINC000414921473 824050578 /nfs/dbraw/zinc/05/05/78/824050578.db2.gz BPPPRXDVHAEXKT-HNNXBMFYSA-N 1 0 381.451 4.380 20 0 GIADRO O=C(NCC[NH2+]C1CCCCCC1)Nc1cccc(OCc2cccnc2)c1 ZINC000414931273 824051323 /nfs/dbraw/zinc/05/13/23/824051323.db2.gz UKKBWQIUECLKCO-UHFFFAOYSA-N 1 0 382.508 4.095 20 0 GIADRO C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)C2CC[NH+](C3CC3)CC2)cc1 ZINC000192635698 824052304 /nfs/dbraw/zinc/05/23/04/824052304.db2.gz OHKBCBOEHKHTIX-OAHLLOKOSA-N 1 0 387.524 4.085 20 0 GIADRO CC1(NCc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)CC[NH2+]CC1 ZINC000414947557 824053202 /nfs/dbraw/zinc/05/32/02/824053202.db2.gz WRKJFUVOKKHCQA-UHFFFAOYSA-N 1 0 392.330 4.477 20 0 GIADRO C[C@@H](c1ccc(F)cc1)[NH+]1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1 ZINC000171065427 824053265 /nfs/dbraw/zinc/05/32/65/824053265.db2.gz XCHOWVYJZSCRCO-LSDHHAIUSA-N 1 0 396.462 4.201 20 0 GIADRO O=C(NCCc1cccs1)C1CC[NH+](CCSCc2ccccc2)CC1 ZINC000192642457 824054278 /nfs/dbraw/zinc/05/42/78/824054278.db2.gz WHCIMMOZPRWHHH-UHFFFAOYSA-N 1 0 388.602 4.052 20 0 GIADRO Cc1ccc(-c2noc([C@]3(F)CC[N@@H+](C(C)(C)C)C3)n2)c(Br)c1 ZINC000576033551 824054386 /nfs/dbraw/zinc/05/43/86/824054386.db2.gz OQZYUEGCOUPRMK-KRWDZBQOSA-N 1 0 382.277 4.477 20 0 GIADRO Cc1nc(C)c(CC[NH2+][C@H](C)c2ccc(I)cc2)s1 ZINC000482814806 370698582 /nfs/dbraw/zinc/69/85/82/370698582.db2.gz LNNGOUGULSSPSM-SNVBAGLBSA-N 1 0 386.302 4.258 20 0 GIADRO Fc1ccc(C(c2ccc(F)cc2)N2CCN(CC[NH+]3CCCCC3)CC2)cc1 ZINC000036286986 205010225 /nfs/dbraw/zinc/01/02/25/205010225.db2.gz QVIIDWWABZYHCA-UHFFFAOYSA-N 1 0 399.529 4.158 20 0 GIADRO [NH3+]C[C@@H]1CCN(C(=O)c2sc3cccc(F)c3c2COc2ccccc2)C1 ZINC000178587506 570329949 /nfs/dbraw/zinc/32/99/49/570329949.db2.gz KPJKQGYJQHVSLD-AWEZNQCLSA-N 1 0 384.476 4.040 20 0 GIADRO c1cc(COc2ccc(C[NH2+][C@H]3CCCO[C@@H]3c3ccncc3)cc2)ccn1 ZINC000275493035 570694075 /nfs/dbraw/zinc/69/40/75/570694075.db2.gz JBTUAFQUTYGMDE-XZOQPEGZSA-N 1 0 375.472 4.066 20 0 GIADRO Fc1c(Cl)nccc1C(F)(F)N1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164626940 719043935 /nfs/dbraw/zinc/04/39/35/719043935.db2.gz SIMJIXQMBCJHAC-CRAIPNDOSA-N 1 0 381.829 4.003 20 0 GIADRO Fc1cnc(Cl)cc1C(F)(F)N1CC[C@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164627773 719045694 /nfs/dbraw/zinc/04/56/94/719045694.db2.gz WEGUXVAXADNWRD-YJBOKZPZSA-N 1 0 381.829 4.003 20 0 GIADRO Fc1ccc(Cl)nc1C(F)(F)N1CC[C@@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164628717 719045997 /nfs/dbraw/zinc/04/59/97/719045997.db2.gz ZKKKSUIDQMFGTB-KBXCAEBGSA-N 1 0 381.829 4.003 20 0 GIADRO Clc1nnc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c2sccc21 ZINC001164622855 719065950 /nfs/dbraw/zinc/06/59/50/719065950.db2.gz IZRHERPUDUFEIU-WBVHZDCISA-N 1 0 384.936 4.446 20 0 GIADRO Clc1ccnc2cnc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)cc12 ZINC001164628921 719086052 /nfs/dbraw/zinc/08/60/52/719086052.db2.gz UWSLYDRGTIEAQF-DYESRHJHSA-N 1 0 378.907 4.384 20 0 GIADRO c1ccc(C[N@H+]2C[C@H]3[C@H](C2)CCCN3c2nccnc2Oc2ccccc2)cc1 ZINC001164621816 719106020 /nfs/dbraw/zinc/10/60/20/719106020.db2.gz AXQWJUMABOLIMD-UNMCSNQZSA-N 1 0 386.499 4.370 20 0 GIADRO [NH3+]C1([C@@H]2CN(C(F)(F)c3cc(Cl)c(Cl)nc3Cl)C[C@@H]2CF)CC1 ZINC001164622455 719121582 /nfs/dbraw/zinc/12/15/82/719121582.db2.gz OVWXRVMNXRGBMQ-IONNQARKSA-N 1 0 388.648 4.100 20 0 GIADRO CC(C)C[NH+]1CCN(C(F)(F)c2cccc(-c3ccc(Cl)nn3)c2)CC1 ZINC001164657582 719338274 /nfs/dbraw/zinc/33/82/74/719338274.db2.gz SSXSNYPAQSHTQI-UHFFFAOYSA-N 1 0 380.870 4.120 20 0 GIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ncnc4ccsc42)CC3)cs1 ZINC001164691724 719803920 /nfs/dbraw/zinc/80/39/20/719803920.db2.gz JLCPRQZYLNGRIZ-UHFFFAOYSA-N 1 0 385.562 4.091 20 0 GIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ncc(C)cc2Cl)CC3)cs1 ZINC001164691482 719804727 /nfs/dbraw/zinc/80/47/27/719804727.db2.gz IAQXSCVPQMWKLO-UHFFFAOYSA-N 1 0 376.957 4.443 20 0 GIADRO COc1cc(Cl)nc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)c1 ZINC001164694353 719808091 /nfs/dbraw/zinc/80/80/91/719808091.db2.gz VRRXFVXDTSUXNO-UHFFFAOYSA-N 1 0 392.956 4.144 20 0 GIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc3c(Cl)cccc3n1)C2 ZINC001164814941 720111279 /nfs/dbraw/zinc/11/12/79/720111279.db2.gz UPOTUNLZANESNJ-HTAPYJJXSA-N 1 0 385.939 4.073 20 0 GIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc3ccc(Cl)c(C)c3n1)C2 ZINC001164814375 720152584 /nfs/dbraw/zinc/15/25/84/720152584.db2.gz FXZWHFYNMBYCAC-AUSIDOKSSA-N 1 0 399.966 4.381 20 0 GIADRO Clc1ccc(-c2ccc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)nn2)cc1 ZINC001164727691 720345003 /nfs/dbraw/zinc/34/50/03/720345003.db2.gz UFSWJNTURBKRSK-NHCUHLMSSA-N 1 0 391.906 4.045 20 0 GIADRO CC(C)(C)c1cc2ncnc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c2s1 ZINC001164726588 720357147 /nfs/dbraw/zinc/35/71/47/720357147.db2.gz PWQHANPNNKZKJV-MSOLQXFVSA-N 1 0 393.560 4.237 20 0 GIADRO Cc1ccc2cc(Cl)nc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c2c1 ZINC001164731602 720411170 /nfs/dbraw/zinc/41/11/70/720411170.db2.gz MCPGITKMMGONDH-PMACEKPBSA-N 1 0 378.907 4.445 20 0 GIADRO CC(C)(C)c1cc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)nc(C(C)(C)C)n1 ZINC001164734771 720431263 /nfs/dbraw/zinc/43/12/63/720431263.db2.gz UHVZRFLCWAUMDS-RBUKOAKNSA-N 1 0 393.579 4.320 20 0 GIADRO CC[C@H](C)c1nc(Cl)c(C)c(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164729050 720471192 /nfs/dbraw/zinc/47/11/92/720471192.db2.gz QXCWLACJXVEWAE-JCGIZDLHSA-N 1 0 385.943 4.200 20 0 GIADRO Cc1ccc2nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)ccc2c1 ZINC001164840702 720507774 /nfs/dbraw/zinc/50/77/74/720507774.db2.gz XICCOENKHJXLLJ-QZNHQXDQSA-N 1 0 389.547 4.118 20 0 GIADRO Cc1cc2ccccc2nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164834431 720523021 /nfs/dbraw/zinc/52/30/21/720523021.db2.gz GJHNABNELMSXGN-FUPPJEDESA-N 1 0 389.547 4.118 20 0 GIADRO Cc1cccc2cc(Cl)nc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)c12 ZINC001164741724 720594006 /nfs/dbraw/zinc/59/40/06/720594006.db2.gz MCAUGJPXHPHDCZ-UHFFFAOYSA-N 1 0 395.938 4.052 20 0 GIADRO Cc1cccc2ccnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)c12 ZINC001164843158 720627952 /nfs/dbraw/zinc/62/79/52/720627952.db2.gz WZTABGTZKNPRJZ-FDFHNCONSA-N 1 0 389.547 4.118 20 0 GIADRO Cc1cc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)ncc1Cl ZINC001164838222 720677389 /nfs/dbraw/zinc/67/73/89/720677389.db2.gz GJSOLDRKUDAFSL-LJQANCHMSA-N 1 0 385.939 4.303 20 0 GIADRO COc1ccc2nc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@H]3C)c(C)cc2c1 ZINC001164855090 720920306 /nfs/dbraw/zinc/92/03/06/720920306.db2.gz HOHGKFAUHXGNOT-QGZVFWFLSA-N 1 0 393.535 4.170 20 0 GIADRO Cc1ccc2c(c1)nc(Cl)nc2N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001164858502 720963065 /nfs/dbraw/zinc/96/30/65/720963065.db2.gz IWZUTIRBBZIEPA-OAHLLOKOSA-N 1 0 398.942 4.210 20 0 GIADRO Cc1cccc2nc(Cl)nc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@@H]3C)c12 ZINC001164861698 720982736 /nfs/dbraw/zinc/98/27/36/720982736.db2.gz QGUSTBRUDSNJQW-HNNXBMFYSA-N 1 0 398.942 4.210 20 0 GIADRO Cc1ccc(C[NH+]2CCC3(CCN(c4cccc(Cl)[n+]4[O-])CC3)CC2)cc1 ZINC001164759522 721043265 /nfs/dbraw/zinc/04/32/65/721043265.db2.gz NWZIJBPCJQZZKV-UHFFFAOYSA-N 1 0 385.939 4.164 20 0 GIADRO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CC[C@@H]2O[C@H](COc3cccnc3)CC[C@H]21 ZINC001164878149 721252721 /nfs/dbraw/zinc/25/27/21/721252721.db2.gz SPGIYBIMCSSEJX-OTWHNJEPSA-N 1 0 387.911 4.066 20 0 GIADRO Fc1ccc2nc(Cl)cc(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)c2c1 ZINC001164787522 721400978 /nfs/dbraw/zinc/40/09/78/721400978.db2.gz POKVYXJYJQHADW-STQMWFEESA-N 1 0 388.899 4.052 20 0 GIADRO Cc1nc(Cl)nc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c1C ZINC001164793932 721489287 /nfs/dbraw/zinc/48/92/87/721489287.db2.gz YFEQNFZKOMXPKB-UHFFFAOYSA-N 1 0 385.943 4.023 20 0 GIADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc(C(C)(C)C)nn1)CC2 ZINC001164796804 721500604 /nfs/dbraw/zinc/50/06/04/721500604.db2.gz YRNAGNAKGCVZQL-UHFFFAOYSA-N 1 0 379.552 4.050 20 0 GIADRO CCSc1ccnc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c1 ZINC001164795220 721503296 /nfs/dbraw/zinc/50/32/96/721503296.db2.gz HIPMTQFLGIWAMG-UHFFFAOYSA-N 1 0 382.577 4.470 20 0 GIADRO Cc1cccc2ccnc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c12 ZINC001164906522 721561381 /nfs/dbraw/zinc/56/13/81/721561381.db2.gz JRVUNEHZCKBGNQ-TZIWHRDSSA-N 1 0 377.463 4.024 20 0 GIADRO Cc1nc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)ccc1Cl ZINC001164908363 721699606 /nfs/dbraw/zinc/69/96/06/721699606.db2.gz YMZMZVKGEWAPIN-LJQANCHMSA-N 1 0 392.881 4.176 20 0 GIADRO FC1(F)CCN(c2ccc3c(n2)CCCC3)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164907934 721699636 /nfs/dbraw/zinc/69/96/36/721699636.db2.gz WSDNYWMWXBABIT-QFIPXVFZSA-N 1 0 398.501 4.093 20 0 GIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(CCCN3C(=O)C(C)C)C2)nc1 ZINC001165007402 721727632 /nfs/dbraw/zinc/72/76/32/721727632.db2.gz CKGUMWJLOZOVFC-ZJSXRUAMSA-N 1 0 398.595 4.246 20 0 GIADRO Cc1cc2c(ccnc2N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)o1 ZINC001164912577 721729182 /nfs/dbraw/zinc/72/91/82/721729182.db2.gz NYAFFHLMNLOLEW-NRFANRHFSA-N 1 0 398.457 4.269 20 0 GIADRO F[C@@H](Oc1ccc(Cl)nc1)N1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001165015403 721767541 /nfs/dbraw/zinc/76/75/41/721767541.db2.gz PULPKUXNLGMJKQ-HXUWFJFHSA-N 1 0 398.825 4.374 20 0 GIADRO Cc1cc2c(ncnc2N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)s1 ZINC001165023333 721798626 /nfs/dbraw/zinc/79/86/26/721798626.db2.gz JNEUQKSFGRDQAT-FFZOFVMBSA-N 1 0 393.560 4.132 20 0 GIADRO Cc1cccc2ncc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)nc12 ZINC001165026413 721809691 /nfs/dbraw/zinc/80/96/91/721809691.db2.gz PWKRXBJBINDMCC-DWLFOUALSA-N 1 0 387.531 4.070 20 0 GIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN([C@@H](F)c3ccnc(Cl)c3)C[C@H]21 ZINC001165021666 721811518 /nfs/dbraw/zinc/81/15/18/721811518.db2.gz FVIYRXCKYYCAPT-XLBJILASSA-N 1 0 388.918 4.331 20 0 GIADRO CC(C)Oc1cccc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165023500 721815234 /nfs/dbraw/zinc/81/52/34/721815234.db2.gz HFURKHSZFWLGBY-TYPHKJRUSA-N 1 0 380.536 4.001 20 0 GIADRO Cc1cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc2[nH]ccc21 ZINC001165028295 721818079 /nfs/dbraw/zinc/81/80/79/721818079.db2.gz XHBACILAOADBKU-YYWHXJBOSA-N 1 0 375.520 4.003 20 0 GIADRO CC(C)c1c(Cl)ncnc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165020648 721829540 /nfs/dbraw/zinc/82/95/40/721829540.db2.gz DAPVTNAJZUSJJT-YTQUADARSA-N 1 0 399.970 4.385 20 0 GIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nccc3ccsc32)CC1 ZINC001165022283 721839784 /nfs/dbraw/zinc/83/97/84/721839784.db2.gz QUSSXQYUTYEHIJ-UHFFFAOYSA-N 1 0 397.544 4.414 20 0 GIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc(C3CC3)ccn2)CC1 ZINC001165023245 721841648 /nfs/dbraw/zinc/84/16/48/721841648.db2.gz ZDBRVWKWDLVDNK-UHFFFAOYSA-N 1 0 381.520 4.077 20 0 GIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc(C)nc(C(C)C)n2)CC1 ZINC001165022785 721843403 /nfs/dbraw/zinc/84/34/03/721843403.db2.gz UMDOZAIEIJGAOZ-UHFFFAOYSA-N 1 0 398.551 4.026 20 0 GIADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1cc(-c2ccccc2)c2ccccc2n1 ZINC001164930544 721877473 /nfs/dbraw/zinc/87/74/73/721877473.db2.gz DEWCJBOVYPWAAP-DNQXCXABSA-N 1 0 386.543 4.116 20 0 GIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nccc5ccsc54)CC3)C2)cc1 ZINC001164940872 721924420 /nfs/dbraw/zinc/92/44/20/721924420.db2.gz VKUFHIWPHRELAG-UHFFFAOYSA-N 1 0 393.556 4.476 20 0 GIADRO C[NH+](C)CC1CCN(C(F)(F)c2ccc3c(Cl)nc(Cl)nc3c2)CC1 ZINC001165041600 721946255 /nfs/dbraw/zinc/94/62/55/721946255.db2.gz GBSTXSSWJFOQJC-UHFFFAOYSA-N 1 0 389.277 4.260 20 0 GIADRO C[NH+](C)CC1CCN(C(F)(F)c2cc(-c3cccc(F)c3)nnc2Cl)CC1 ZINC001165043115 721951599 /nfs/dbraw/zinc/95/15/99/721951599.db2.gz ZXKLAYJLMBDNCW-UHFFFAOYSA-N 1 0 398.860 4.259 20 0 GIADRO Fc1cc2nc(Cl)c(N3CCCC[C@@H]3CC[NH+]3CCCC3)nc2cc1F ZINC001165048360 721969063 /nfs/dbraw/zinc/96/90/63/721969063.db2.gz OQLJWLBXLGBSAW-CYBMUJFWSA-N 1 0 380.870 4.406 20 0 GIADRO CCOC(=O)c1cc(Cl)nc(N2CCCC[C@@H]2CC[NH+]2CCCC2)c1C ZINC001165047234 721969939 /nfs/dbraw/zinc/96/99/39/721969939.db2.gz JUSLZDUBEAUMPW-MRXNPFEDSA-N 1 0 379.932 4.065 20 0 GIADRO Clc1cc(Cl)nc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1 ZINC001164954685 722012527 /nfs/dbraw/zinc/01/25/27/722012527.db2.gz ODCXHNUIAATFGD-UHFFFAOYSA-N 1 0 377.319 4.276 20 0 GIADRO Cc1sc2ncnc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)c2c1C ZINC001164955118 722013943 /nfs/dbraw/zinc/01/39/43/722013943.db2.gz UEPYBUKJBKSRFJ-UHFFFAOYSA-N 1 0 393.560 4.196 20 0 GIADRO Cc1cc2ncnc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)c2cc1C ZINC001164962694 722024147 /nfs/dbraw/zinc/02/41/47/722024147.db2.gz QXOAJYATAOYIID-UHFFFAOYSA-N 1 0 387.531 4.134 20 0 GIADRO Cc1c[nH]c2nc(Cl)nc(N3CCC[C@@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)c12 ZINC001164994238 722196667 /nfs/dbraw/zinc/19/66/67/722196667.db2.gz LYWOCZQXLFFDTA-OAQYLSRUSA-N 1 0 399.901 4.304 20 0 GIADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2ncnc4c(F)cccc42)C3)c1 ZINC001164993272 722198194 /nfs/dbraw/zinc/19/81/94/722198194.db2.gz DYFYQSXHWKIYBW-QFIPXVFZSA-N 1 0 380.442 4.153 20 0 GIADRO c1ccc(C[C@H]2[C@H](OCC3CC3)CCN2c2ccc(C[NH+]3CCCC3)cn2)cc1 ZINC001165005710 722271963 /nfs/dbraw/zinc/27/19/63/722271963.db2.gz JCEXDBHRSQSQLF-BJKOFHAPSA-N 1 0 391.559 4.294 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H](C)C[C@H](O)c1ccc(F)cc1 ZINC000187345620 823046742 /nfs/dbraw/zinc/04/67/42/823046742.db2.gz RDBGVQUAXGTFSX-AOMKIAJQSA-N 1 0 380.463 4.498 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH2+][C@H](C)C[C@H](O)c1ccc(F)cc1 ZINC000187345639 823046842 /nfs/dbraw/zinc/04/68/42/823046842.db2.gz RDBGVQUAXGTFSX-ZHRRBRCNSA-N 1 0 380.463 4.498 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)N[C@H](Cc2ccccc2)c2nc3ccccc3s2)CC[NH2+]1 ZINC000570501469 823047247 /nfs/dbraw/zinc/04/72/47/823047247.db2.gz IOUONXWHYXABPC-HHXXYDBFSA-N 1 0 394.544 4.020 20 0 GIADRO C[C@@H](NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)[C@@H](C)c1ccccc1 ZINC000458492986 823047291 /nfs/dbraw/zinc/04/72/91/823047291.db2.gz NEDWKTUAFZLWMR-HZPDHXFCSA-N 1 0 385.474 4.237 20 0 GIADRO COc1c(Br)cccc1C[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000187353641 823048134 /nfs/dbraw/zinc/04/81/34/823048134.db2.gz SFYFSCISYNIZNS-AEFFLSMTSA-N 1 0 398.247 4.356 20 0 GIADRO CC(C)CC[NH+]1CCC(CNC(=O)N2CC[C@@H](C(F)(F)F)C[C@@H]2C)CC1 ZINC000458510410 823049075 /nfs/dbraw/zinc/04/90/75/823049075.db2.gz LOEOEWZQZURBPA-DOTOQJQBSA-N 1 0 377.495 4.117 20 0 GIADRO Cc1c(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)nnn1-c1cccc(Cl)c1 ZINC000055826554 823049332 /nfs/dbraw/zinc/04/93/32/823049332.db2.gz POCHEWKQUIERNK-UHFFFAOYSA-N 1 0 395.894 4.077 20 0 GIADRO Cc1csc([C@@H](NC(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)C2CC2)n1 ZINC000175829369 823049762 /nfs/dbraw/zinc/04/97/62/823049762.db2.gz GQHJMKTYBRIHLQ-XLIONFOSSA-N 1 0 398.576 4.209 20 0 GIADRO CCOc1cccc2[nH]cc(CC(=O)NCc3cccc(C[NH+]4CCCC4)c3)c21 ZINC000187362394 823049926 /nfs/dbraw/zinc/04/99/26/823049926.db2.gz VAFRPFVICXYYRB-UHFFFAOYSA-N 1 0 391.515 4.021 20 0 GIADRO C[C@@H](NC(=O)NC(C)(C)CCC[NH+](C)C)c1cccc(OC(F)(F)F)c1 ZINC000458518448 823050169 /nfs/dbraw/zinc/05/01/69/823050169.db2.gz NEWMUBAWEHVSOU-CYBMUJFWSA-N 1 0 375.435 4.066 20 0 GIADRO O=C(NC1CC[NH+](C2CCCC2)CC1)N1CC(c2cccc(C(F)(F)F)c2)C1 ZINC000458522703 823050622 /nfs/dbraw/zinc/05/06/22/823050622.db2.gz YCCDWBVCLAQOAN-UHFFFAOYSA-N 1 0 395.469 4.221 20 0 GIADRO COc1cc(F)c([C@@H](C)[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)cc1OC ZINC000187368892 823050878 /nfs/dbraw/zinc/05/08/78/823050878.db2.gz UFVUMZZUTVZRSW-CYBMUJFWSA-N 1 0 375.440 4.339 20 0 GIADRO CC1CC[NH+]([C@@H](CNC(=O)Nc2ccc([S@@](C)=O)cc2)c2ccccc2)CC1 ZINC000175840451 823052183 /nfs/dbraw/zinc/05/21/83/823052183.db2.gz VMAICBHRXAWIHQ-RBTNQOKQSA-N 1 0 399.560 4.019 20 0 GIADRO Cc1csc([C@H](NC(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)C2CC2)n1 ZINC000175840435 823052306 /nfs/dbraw/zinc/05/23/06/823052306.db2.gz IYUUVVQRBXBPAF-IEBWSBKVSA-N 1 0 390.597 4.056 20 0 GIADRO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1nc(C(C)C)ncc1Cl ZINC000120723687 823052622 /nfs/dbraw/zinc/05/26/22/823052622.db2.gz IYFJMNPXOUSBCQ-YJBOKZPZSA-N 1 0 384.911 4.010 20 0 GIADRO COc1ccc([C@H](C)CC(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)cc1 ZINC000120725588 823053185 /nfs/dbraw/zinc/05/31/85/823053185.db2.gz CTWMLVHAFJFTSS-GOSISDBHSA-N 1 0 396.531 4.032 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@H]2CCCN(Cc3ccccn3)C2=O)c2ccccc12 ZINC000570551124 823053270 /nfs/dbraw/zinc/05/32/70/823053270.db2.gz TWTCFUOYQYBPSQ-VGSWGCGISA-N 1 0 389.499 4.085 20 0 GIADRO Cc1cccc(C[NH2+]C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c1 ZINC000187381986 823053365 /nfs/dbraw/zinc/05/33/65/823053365.db2.gz QOKZBNDIGIZXPA-UHFFFAOYSA-N 1 0 376.422 4.408 20 0 GIADRO Cc1nc(CNC(=O)NC(C)(C)CCC[NH+](C)C)oc1-c1ccc(Cl)cc1 ZINC000458543435 823053366 /nfs/dbraw/zinc/05/33/66/823053366.db2.gz LXDTVORHTSVFMX-UHFFFAOYSA-N 1 0 392.931 4.223 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)N[C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000458559667 823055689 /nfs/dbraw/zinc/05/56/89/823055689.db2.gz IQWGOHBCGOYEAY-LJQANCHMSA-N 1 0 388.943 4.244 20 0 GIADRO COc1ccc(-c2cc(C(=O)NCCC[NH2+]Cc3cccnc3)sc2C)cc1 ZINC000120745222 823056064 /nfs/dbraw/zinc/05/60/64/823056064.db2.gz CBJIXMUJZVMHEH-UHFFFAOYSA-N 1 0 395.528 4.037 20 0 GIADRO CC1CC[NH+](C2CCC(NC(=O)N3CC[C@H](C(F)(F)F)C[C@@H]3C)CC2)CC1 ZINC000458563313 823056417 /nfs/dbraw/zinc/05/64/17/823056417.db2.gz HBILUDNJASNUNU-VYMRPNJYSA-N 1 0 389.506 4.402 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1ccc(SC)cc1 ZINC000175864168 823058660 /nfs/dbraw/zinc/05/86/60/823058660.db2.gz CXWVSECVSWHNCL-NRFANRHFSA-N 1 0 397.588 4.462 20 0 GIADRO Cn1c(C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2cccs2)nnc1-c1ccccc1 ZINC000175859168 823057021 /nfs/dbraw/zinc/05/70/21/823057021.db2.gz LZIHRCGAKDFDTM-MOPGFXCFSA-N 1 0 396.560 4.412 20 0 GIADRO Cc1ccccc1C[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)C1CC1 ZINC000570588076 823058189 /nfs/dbraw/zinc/05/81/89/823058189.db2.gz CJKHQSAVKNPBFO-YYDVJCTNSA-N 1 0 379.548 4.115 20 0 GIADRO COc1ccc([C@@H](CCO)[NH2+]Cc2ccc(OCc3ccccc3F)nc2)cc1 ZINC000187411212 823058326 /nfs/dbraw/zinc/05/83/26/823058326.db2.gz LHZDNQAYYVRUQO-JOCHJYFZSA-N 1 0 396.462 4.022 20 0 GIADRO C[NH+](C)C[C@H](NC(=O)[C@H]1C[C@@H]1c1c(F)cccc1Cl)c1ccc(F)cc1 ZINC000570595239 823059032 /nfs/dbraw/zinc/05/90/32/823059032.db2.gz GNUIEXPXXOOZAX-MPGHIAIKSA-N 1 0 378.850 4.141 20 0 GIADRO C[NH+](C)C[C@H](NC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1Cl)c1ccc(F)cc1 ZINC000570595238 823059089 /nfs/dbraw/zinc/05/90/89/823059089.db2.gz GNUIEXPXXOOZAX-DAYGRLMNSA-N 1 0 378.850 4.141 20 0 GIADRO CC(C)(CNC(=O)N1CCC([NH+]2CCCC2)CC1)c1cccc(Cl)c1F ZINC000187417825 823059724 /nfs/dbraw/zinc/05/97/24/823059724.db2.gz NDNBMLQEULBTFH-UHFFFAOYSA-N 1 0 381.923 4.027 20 0 GIADRO Cc1cnc([C@@H](NC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)C2CC2)s1 ZINC000175870164 823059953 /nfs/dbraw/zinc/05/99/53/823059953.db2.gz QUIWHBGVCPLGII-JXFKEZNVSA-N 1 0 398.576 4.209 20 0 GIADRO Brc1cc(Br)cc(C[NH2+][C@@H]2CCOC3(CCC3)C2)c1 ZINC000570599122 823060019 /nfs/dbraw/zinc/06/00/19/823060019.db2.gz OCFFJVPLHOTAFO-CQSZACIVSA-N 1 0 389.131 4.403 20 0 GIADRO C[C@@H]([NH2+]CCSCc1ccc(Cl)cc1Cl)C1CCS(=O)(=O)CC1 ZINC000187420189 823060209 /nfs/dbraw/zinc/06/02/09/823060209.db2.gz OWOWSGZEWICWDP-GFCCVEGCSA-N 1 0 396.405 4.030 20 0 GIADRO CC(C)(C)c1ccc(-c2ccc(C[NH2+]CC3CCS(=O)(=O)CC3)o2)cc1 ZINC000120780418 823062656 /nfs/dbraw/zinc/06/26/56/823062656.db2.gz VKHUCKLMQRCJEP-UHFFFAOYSA-N 1 0 375.534 4.159 20 0 GIADRO CC[C@@H](C(=O)Nc1cc(OC)c(Cl)cc1OC)[N@H+](C)Cc1ccccc1 ZINC000570616439 823062736 /nfs/dbraw/zinc/06/27/36/823062736.db2.gz MMEJUJCLDJYYFT-KRWDZBQOSA-N 1 0 376.884 4.206 20 0 GIADRO Cc1c2ccccc2oc(=O)c1C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000175881990 823062836 /nfs/dbraw/zinc/06/28/36/823062836.db2.gz DUWJYJYZLIKLIR-QGZVFWFLSA-N 1 0 390.483 4.057 20 0 GIADRO C[N@H+](CCC(=O)N1CCc2sccc2C1)Cc1ccc(C(F)(F)F)cc1 ZINC000055898357 823063697 /nfs/dbraw/zinc/06/36/97/823063697.db2.gz GEJCOXJUKMHEBP-UHFFFAOYSA-N 1 0 382.451 4.174 20 0 GIADRO Cc1[nH]ccc1C(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000175889625 823064179 /nfs/dbraw/zinc/06/41/79/823064179.db2.gz ICVLRCQFZUOWRO-UHFFFAOYSA-N 1 0 379.426 4.079 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000458618947 823064608 /nfs/dbraw/zinc/06/46/08/823064608.db2.gz SATXFAGOZJADIG-LJQANCHMSA-N 1 0 375.513 4.038 20 0 GIADRO Cc1cccnc1[C@H]([NH2+]CC(=O)Nc1nc(-c2ccccc2)cs1)C(C)C ZINC000120792710 823065241 /nfs/dbraw/zinc/06/52/41/823065241.db2.gz XAJPWTNXBBVDBW-LJQANCHMSA-N 1 0 380.517 4.439 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cccc(CSc3ccccn3)c2)CC[N@@H+]1C ZINC000175893323 823065379 /nfs/dbraw/zinc/06/53/79/823065379.db2.gz CNLDRCRZUGIEQE-APWZRJJASA-N 1 0 384.549 4.320 20 0 GIADRO COc1ccc2nc(C[NH2+][C@@H](c3ccc4c(c3)OCCO4)C3CC3)sc2c1 ZINC000187449161 823065513 /nfs/dbraw/zinc/06/55/13/823065513.db2.gz GNSUOULLCNDFIC-OAQYLSRUSA-N 1 0 382.485 4.317 20 0 GIADRO O=C(C[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1)Nc1ccccc1C(F)(F)F ZINC000055908878 823065676 /nfs/dbraw/zinc/06/56/76/823065676.db2.gz RTKJROWGIBTANP-MRXNPFEDSA-N 1 0 380.385 4.490 20 0 GIADRO C[C@H](NC(=O)N1CCc2c(Cl)cc(F)cc2C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000458627236 823066051 /nfs/dbraw/zinc/06/60/51/823066051.db2.gz GRLUHNMPZWZXBN-LSDHHAIUSA-N 1 0 393.934 4.200 20 0 GIADRO COc1ccccc1-c1ccc([C@@H](C)NC(=O)C2CC[NH+](C3CC3)CC2)cc1 ZINC000570649114 823066802 /nfs/dbraw/zinc/06/68/02/823066802.db2.gz HYCKDNRZSALVTC-QGZVFWFLSA-N 1 0 378.516 4.414 20 0 GIADRO O=C(NC1CC[NH+](C2CC2)CC1)c1ccc(-c2ccccc2OC(F)(F)F)o1 ZINC000187456836 823067086 /nfs/dbraw/zinc/06/70/86/823067086.db2.gz AJSQZALYQXWILY-UHFFFAOYSA-N 1 0 394.393 4.202 20 0 GIADRO COc1cccc(C2CC[NH+]([C@@H]3CCN([C@@H](C)c4ccc(F)cc4)C3=O)CC2)c1 ZINC000570651056 823067094 /nfs/dbraw/zinc/06/70/94/823067094.db2.gz PXPSTUMJORZVSI-GAJHUEQPSA-N 1 0 396.506 4.376 20 0 GIADRO C[C@H](NC(=O)N[C@H]1CCc2cc(F)c(F)c(F)c21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000458638197 823067999 /nfs/dbraw/zinc/06/79/99/823067999.db2.gz SYCFWHDNIDQVBA-QEORTHHSSA-N 1 0 395.469 4.043 20 0 GIADRO Fc1ccc([C@@H](C[C@@H]2CCOC2)[NH2+]Cc2ccc(OCC(F)(F)F)nc2)cc1 ZINC000570654290 823067333 /nfs/dbraw/zinc/06/73/33/823067333.db2.gz VIXODPOYLMWKAU-KBXCAEBGSA-N 1 0 398.400 4.419 20 0 GIADRO Cc1ccc2c(c1)[C@H](NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)[C@@H](C)C2 ZINC000458644515 823068752 /nfs/dbraw/zinc/06/87/52/823068752.db2.gz XVVJEKDHMWGCLL-HNAYVOBHSA-N 1 0 397.485 4.287 20 0 GIADRO CN(C(=O)N[C@H]1CCCc2sccc21)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458644842 823068775 /nfs/dbraw/zinc/06/87/75/823068775.db2.gz MUECQGBVJSKWED-HNNXBMFYSA-N 1 0 389.487 4.184 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3cnn(C(C)C)c3C3CC3)c(C)c2)CC1 ZINC000120825963 823072097 /nfs/dbraw/zinc/07/20/97/823072097.db2.gz CLWQYYSIGLHGMN-UHFFFAOYSA-N 1 0 395.551 4.044 20 0 GIADRO CN(C(=O)NCCc1cc2ccccc2o1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000120814260 823069583 /nfs/dbraw/zinc/06/95/83/823069583.db2.gz QEWFNSCOTISITB-UHFFFAOYSA-N 1 0 391.515 4.281 20 0 GIADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)C2(c3cccs3)CCCCC2)[C@H](C)C1 ZINC000120816750 823070165 /nfs/dbraw/zinc/07/01/65/823070165.db2.gz UESIZAVGENYOQO-MOPGFXCFSA-N 1 0 392.609 4.203 20 0 GIADRO Cc1cc2c(cc1C)[C@@H](Nc1cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c1)CCS2 ZINC000187473727 823070523 /nfs/dbraw/zinc/07/05/23/823070523.db2.gz CIZUMLSBSVZLMK-LEWJYISDSA-N 1 0 395.572 4.402 20 0 GIADRO Cc1cc(C)c2nc(C3CC3)cc(C(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)c2c1 ZINC000175910970 823070573 /nfs/dbraw/zinc/07/05/73/823070573.db2.gz MKQMJVFFQXOKKR-SFHVURJKSA-N 1 0 377.532 4.287 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CCCC1(F)F)c1cccc(C(F)(F)F)c1 ZINC000458656911 823070711 /nfs/dbraw/zinc/07/07/11/823070711.db2.gz UHFPARDWUVKWRW-GJZGRUSLSA-N 1 0 393.400 4.043 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(F)ccc2SCC(F)F)[C@H](C)C1 ZINC000120820336 823070940 /nfs/dbraw/zinc/07/09/40/823070940.db2.gz JDJAXOXTSQSQKM-DOMZBBRYSA-N 1 0 389.487 4.377 20 0 GIADRO C[C@@H](CC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1)c1cccnc1 ZINC000570676891 823070958 /nfs/dbraw/zinc/07/09/58/823070958.db2.gz NWVYRYIIPGBTPM-HNNXBMFYSA-N 1 0 387.911 4.340 20 0 GIADRO C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000570693680 823072985 /nfs/dbraw/zinc/07/29/85/823072985.db2.gz GDLWUXRHNTUKCA-KKSFZXQISA-N 1 0 386.923 4.046 20 0 GIADRO CCOCc1cccc(NC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000175927335 823074861 /nfs/dbraw/zinc/07/48/61/823074861.db2.gz JGZDXFPQCNSPKT-OAQYLSRUSA-N 1 0 381.520 4.209 20 0 GIADRO C[C@H](Nc1ccccc1C[N@H+](C)C1CCCCC1)C1CCS(=O)(=O)CC1 ZINC000187496011 823074981 /nfs/dbraw/zinc/07/49/81/823074981.db2.gz YSYRWVRABGGAEO-KRWDZBQOSA-N 1 0 378.582 4.076 20 0 GIADRO Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000458701474 823075981 /nfs/dbraw/zinc/07/59/81/823075981.db2.gz CPFLQRJBSDFGOV-KDOFPFPSSA-N 1 0 383.458 4.114 20 0 GIADRO CSc1ccc([C@H](CNC(=O)NCc2ccc3ncccc3c2)[NH+](C)C)cc1 ZINC000458708922 823077140 /nfs/dbraw/zinc/07/71/40/823077140.db2.gz AWSZMVMJRYGPMF-NRFANRHFSA-N 1 0 394.544 4.059 20 0 GIADRO C[C@@H](NC(=O)N1CC(c2ccc(Cl)cc2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000458701352 823076053 /nfs/dbraw/zinc/07/60/53/823076053.db2.gz ZKUILWPARLCABA-YLJYHZDGSA-N 1 0 397.950 4.359 20 0 GIADRO Cc1cc(Br)cc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000187508577 823077503 /nfs/dbraw/zinc/07/75/03/823077503.db2.gz QDIDRMPTIRQWNZ-KBXCAEBGSA-N 1 0 392.341 4.238 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1-c1noc(Cc2noc3ccccc23)n1 ZINC000570735444 823078238 /nfs/dbraw/zinc/07/82/38/823078238.db2.gz KWULLKJTIPGLIZ-UHFFFAOYSA-N 1 0 392.459 4.189 20 0 GIADRO C=Cn1cc(C[NH2+]C[C@@H]2CCCN(C)[C@@H]2c2ccc(C(F)(F)F)cc2)cn1 ZINC000570734155 823078243 /nfs/dbraw/zinc/07/82/43/823078243.db2.gz PNBZDNXWVUUYFL-PKOBYXMFSA-N 1 0 378.442 4.175 20 0 GIADRO Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)c3cccc(C[NH+](C)C)c3)cc2)n1 ZINC000175943643 823078304 /nfs/dbraw/zinc/07/83/04/823078304.db2.gz JRXFBVRYMSYAGZ-GOSISDBHSA-N 1 0 376.504 4.042 20 0 GIADRO COc1sc(C[NH2+]C[C@H](c2ccco2)N2CCCC2)cc1Br ZINC000120872845 823080435 /nfs/dbraw/zinc/08/04/35/823080435.db2.gz GEXHZARFRYWIEE-CQSZACIVSA-N 1 0 385.327 4.039 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(OC3CCCC3)c(F)c2)[C@H](C)C1 ZINC000120873536 823080520 /nfs/dbraw/zinc/08/05/20/823080520.db2.gz RNEYBGOQAVCYOC-BEFAXECRSA-N 1 0 377.504 4.341 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)C[NH2+][C@H]2CCC(C)(C)C[C@H]2C)c(C(F)(F)F)c1 ZINC000120876194 823081042 /nfs/dbraw/zinc/08/10/42/823081042.db2.gz BFQOGVITCJMREL-WBMJQRKESA-N 1 0 399.457 4.407 20 0 GIADRO O=C(CCc1nc2ccccc2[nH]1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000056042172 823081154 /nfs/dbraw/zinc/08/11/54/823081154.db2.gz QCNVSQMKBVUDRR-UHFFFAOYSA-N 1 0 376.504 4.163 20 0 GIADRO CCc1c(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)[nH]c(C)c1C(C)=O ZINC000056042630 823081395 /nfs/dbraw/zinc/08/13/95/823081395.db2.gz YEBGLGNWXPOKPK-UHFFFAOYSA-N 1 0 381.520 4.369 20 0 GIADRO Cc1ccc2c(c1)[C@@H](NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)CCC2 ZINC000458757254 823081994 /nfs/dbraw/zinc/08/19/94/823081994.db2.gz DTQLRAONXMYLLS-IBGZPJMESA-N 1 0 397.485 4.431 20 0 GIADRO C[NH+](C)CCCN(Cc1ccc(C(N)=O)cc1)Cc1ccc(Cl)c(Cl)c1 ZINC000570762035 823082893 /nfs/dbraw/zinc/08/28/93/823082893.db2.gz JTVIEMPQWZWPAN-UHFFFAOYSA-N 1 0 394.346 4.046 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CCc1c(F)cccc1F ZINC000120898837 823083824 /nfs/dbraw/zinc/08/38/24/823083824.db2.gz HDJNOAGNCUAPRS-GFCCVEGCSA-N 1 0 382.838 4.176 20 0 GIADRO CC1(CC(F)(F)F)CN(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000458777383 823084439 /nfs/dbraw/zinc/08/44/39/823084439.db2.gz BMALLODZRDATEP-GOSISDBHSA-N 1 0 397.485 4.273 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc(-c3ncon3)cc2)[C@@H]1c1cccs1 ZINC000175969077 823084480 /nfs/dbraw/zinc/08/44/80/823084480.db2.gz KTMHEOZEPUSGGD-CRAIPNDOSA-N 1 0 397.504 4.003 20 0 GIADRO O[C@H](C[NH2+]C1(c2ccc(Cl)cc2)CCOCC1)COc1ccccc1Cl ZINC000120920138 823086962 /nfs/dbraw/zinc/08/69/62/823086962.db2.gz RVZQFUIAFGVRAE-QGZVFWFLSA-N 1 0 396.314 4.029 20 0 GIADRO Cc1ccc([C@H]([NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)C2CCC2)cc1 ZINC000187552135 823086983 /nfs/dbraw/zinc/08/69/83/823086983.db2.gz KLDWIRCFXSEMJF-JOCHJYFZSA-N 1 0 384.545 4.166 20 0 GIADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)Nc2ccccc2COc2ccccc2)C1 ZINC000120910138 823085600 /nfs/dbraw/zinc/08/56/00/823085600.db2.gz JHWHCSSCMHYGHX-LJQANCHMSA-N 1 0 381.520 4.365 20 0 GIADRO CC1(C(=O)Nc2ccc(Br)cn2)CC[NH+](Cc2ccccc2)CC1 ZINC000187547101 823086396 /nfs/dbraw/zinc/08/63/96/823086396.db2.gz YQZGHADZPWXCRQ-UHFFFAOYSA-N 1 0 388.309 4.085 20 0 GIADRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)N[C@@H](c1ccco1)c1ccccc1 ZINC000120915833 823086447 /nfs/dbraw/zinc/08/64/47/823086447.db2.gz ICEBCOZUVTUPDX-JOCHJYFZSA-N 1 0 395.478 4.282 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(OC)cc1C ZINC000175978138 823087128 /nfs/dbraw/zinc/08/71/28/823087128.db2.gz SOJHWHLPWXDNOE-HXUWFJFHSA-N 1 0 381.520 4.380 20 0 GIADRO Cc1nc(CCCC(=O)Nc2cc(C[NH+]3CCSCC3)ccc2C)cs1 ZINC000175983090 823088440 /nfs/dbraw/zinc/08/84/40/823088440.db2.gz AUKLVCZVKBGZTN-UHFFFAOYSA-N 1 0 389.590 4.270 20 0 GIADRO CCOC(=O)N1CCC([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc3ccccc3c2)CC1 ZINC000187564955 823089073 /nfs/dbraw/zinc/08/90/73/823089073.db2.gz GYAOOZJBSSVYSF-SJORKVTESA-N 1 0 397.519 4.013 20 0 GIADRO FC(F)Oc1ccc(C[NH+]2CCC(c3nnc4ccccn43)CC2)cc1Cl ZINC000120935383 823089396 /nfs/dbraw/zinc/08/93/96/823089396.db2.gz SAMQPVDTFVHQMY-UHFFFAOYSA-N 1 0 392.837 4.364 20 0 GIADRO Cc1nc(NC(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)sc1Cc1ccc(C)cc1 ZINC000570811421 823090139 /nfs/dbraw/zinc/09/01/39/823090139.db2.gz XJIRZFBSJWQAOO-RTBURBONSA-N 1 0 398.576 4.204 20 0 GIADRO CCc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(NC(=O)NC3CC3)cc2)cc1 ZINC000056159870 823092493 /nfs/dbraw/zinc/09/24/93/823092493.db2.gz XHNLLIGDSODLBT-CVEARBPZSA-N 1 0 394.519 4.211 20 0 GIADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cccc(OCc2ccc(Cl)cc2)c1 ZINC000120945792 823090784 /nfs/dbraw/zinc/09/07/84/823090784.db2.gz PXJZVSFLEZBIHU-KKSFZXQISA-N 1 0 386.923 4.331 20 0 GIADRO CC(=O)c1ccccc1NC(=O)CCC[NH2+][C@@H](C)c1cccc(-n2cccn2)c1 ZINC000570813957 823090957 /nfs/dbraw/zinc/09/09/57/823090957.db2.gz UTMGOPITXZEBMP-KRWDZBQOSA-N 1 0 390.487 4.144 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccccc2CN[C@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000056156179 823091104 /nfs/dbraw/zinc/09/11/04/823091104.db2.gz ZSFAHWKXXPIWFJ-CYFREDJKSA-N 1 0 391.559 4.028 20 0 GIADRO C[NH+](C)CCN(C(=O)NCC[C@H](c1ccccc1)C(F)(F)F)C1CCCC1 ZINC000458817394 823091327 /nfs/dbraw/zinc/09/13/27/823091327.db2.gz KKUYRSLVWFVQPC-GOSISDBHSA-N 1 0 385.474 4.238 20 0 GIADRO CC(C)Oc1cccc([C@@H](C)[NH2+][C@H](C)C(=O)NC(=O)Nc2ccccc2F)c1 ZINC000056156772 823091418 /nfs/dbraw/zinc/09/14/18/823091418.db2.gz NAIWHSRUTFUONK-HUUCEWRRSA-N 1 0 387.455 4.000 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)NCc1ccc(C2CC2)cc1F ZINC000458818311 823091588 /nfs/dbraw/zinc/09/15/88/823091588.db2.gz RESCIZZPCQCDNU-UHFFFAOYSA-N 1 0 375.513 4.038 20 0 GIADRO COc1ccc(OCc2ccccn2)c(CNC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000120955903 823092628 /nfs/dbraw/zinc/09/26/28/823092628.db2.gz HTLIFEBUTAQEIJ-UHFFFAOYSA-N 1 0 383.536 4.068 20 0 GIADRO Cc1ccc2c(c1)nc(C[NH2+][C@@H](C)CC(=O)N(C)Cc1ccccc1Cl)n2C ZINC000187580656 823092069 /nfs/dbraw/zinc/09/20/69/823092069.db2.gz RQLORHHXAOOGRL-INIZCTEOSA-N 1 0 398.938 4.062 20 0 GIADRO CCCOc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(OC)cc2)cc1OC ZINC000056161917 823092758 /nfs/dbraw/zinc/09/27/58/823092758.db2.gz DBHWIQMTSSMURT-HZPDHXFCSA-N 1 0 386.492 4.170 20 0 GIADRO CCCOc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cc(F)ccc2F)cc1OC ZINC000056161929 823092835 /nfs/dbraw/zinc/09/28/35/823092835.db2.gz BVAUGMXNHIKFJF-ZIAGYGMSSA-N 1 0 392.446 4.440 20 0 GIADRO CCCOc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cc(F)ccc2F)cc1OC ZINC000056161930 823092849 /nfs/dbraw/zinc/09/28/49/823092849.db2.gz BVAUGMXNHIKFJF-UONOGXRCSA-N 1 0 392.446 4.440 20 0 GIADRO CCCOc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(Cl)cn2)cc1OC ZINC000056161905 823093001 /nfs/dbraw/zinc/09/30/01/823093001.db2.gz QPUMICVGTWKPLC-ZIAGYGMSSA-N 1 0 391.899 4.210 20 0 GIADRO CCCOc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(OC)cc2)cc1OC ZINC000056161918 823093009 /nfs/dbraw/zinc/09/30/09/823093009.db2.gz DBHWIQMTSSMURT-JKSUJKDBSA-N 1 0 386.492 4.170 20 0 GIADRO CN(C(=O)NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000458832426 823094287 /nfs/dbraw/zinc/09/42/87/823094287.db2.gz HMTWKHWIIHGWOF-MIBDQSOXSA-N 1 0 396.362 4.364 20 0 GIADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CSCc1ccc(Cl)cc1Cl ZINC000120965861 823094415 /nfs/dbraw/zinc/09/44/15/823094415.db2.gz UDHNMWVFWQCVFH-LRDDRELGSA-N 1 0 375.365 4.025 20 0 GIADRO CCc1ccccc1NC(=O)[C@H](C)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000056170387 823095202 /nfs/dbraw/zinc/09/52/02/823095202.db2.gz ZTIQSFYEKJUWFT-IBGZPJMESA-N 1 0 394.563 4.138 20 0 GIADRO FC(F)Oc1ccc(Br)cc1CNC1CC[NH+](CC2CC2)CC1 ZINC000120970824 823095224 /nfs/dbraw/zinc/09/52/24/823095224.db2.gz UNQOLOAAGLJIFC-UHFFFAOYSA-N 1 0 389.284 4.015 20 0 GIADRO O=C(NCCCCC[NH+]1CCCC1)N1CCCc2c3cccc(F)c3[nH]c2C1 ZINC000458853892 823097934 /nfs/dbraw/zinc/09/79/34/823097934.db2.gz PKQZCLAFHSWYIB-UHFFFAOYSA-N 1 0 386.515 4.031 20 0 GIADRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)c1c(Cl)cccc1Cl ZINC000176012552 823095675 /nfs/dbraw/zinc/09/56/75/823095675.db2.gz TZWUOZNOGLZAIA-UHFFFAOYSA-N 1 0 377.315 4.430 20 0 GIADRO C[C@@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)NCCCCC[NH+]1CCCC1 ZINC000458841192 823095928 /nfs/dbraw/zinc/09/59/28/823095928.db2.gz FSCVJEWRYRHWHF-XLIONFOSSA-N 1 0 393.959 4.078 20 0 GIADRO Cc1cccnc1[C@@H]([NH2+][C@@H](C)C(=O)N(C)Cc1nc2ccccc2s1)C(C)C ZINC000120979139 823096420 /nfs/dbraw/zinc/09/64/20/823096420.db2.gz DUFDAUSCEDSCFI-JXFKEZNVSA-N 1 0 396.560 4.334 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000120982054 823097094 /nfs/dbraw/zinc/09/70/94/823097094.db2.gz ZLYMMOMRVXEBBA-NWDGAFQWSA-N 1 0 380.366 4.112 20 0 GIADRO CCC[NH+]1CCC(CNC(=O)Nc2cccc(-c3ncc4n3CCCC4)c2)CC1 ZINC000570869655 823099377 /nfs/dbraw/zinc/09/93/77/823099377.db2.gz AUZPZRXPGMEFHC-UHFFFAOYSA-N 1 0 395.551 4.130 20 0 GIADRO O=C(NC1CC[NH+](C2CCCC2)CC1)N(Cc1ccccc1)CC1CCOCC1 ZINC000176033155 823101149 /nfs/dbraw/zinc/10/11/49/823101149.db2.gz GBFFOIYGARKYTQ-UHFFFAOYSA-N 1 0 399.579 4.032 20 0 GIADRO CN(CC1(c2ccccc2)CC1)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000187630835 823101400 /nfs/dbraw/zinc/10/14/00/823101400.db2.gz KHNROARXDNSCBZ-UHFFFAOYSA-N 1 0 395.522 4.163 20 0 GIADRO CSc1ccc([C@@H](CNC(=O)N(C)[C@H](C)c2cccc(O)c2)[NH+](C)C)cc1 ZINC000458886247 823101995 /nfs/dbraw/zinc/10/19/95/823101995.db2.gz HLRYDEIBPIZTDO-FOIQADDNSA-N 1 0 387.549 4.119 20 0 GIADRO CCO[C@H]1C[C@]([NH3+])(C(=O)NCc2ccccc2-c2ccc(Cl)cc2)C1(C)C ZINC000187632330 823102132 /nfs/dbraw/zinc/10/21/32/823102132.db2.gz YBZSXRACCRBVOB-UGKGYDQZSA-N 1 0 386.923 4.156 20 0 GIADRO CSc1ccc([C@@H](CNC(=O)N(C)Cc2ccc(F)c(F)c2)[NH+](C)C)cc1 ZINC000458900818 823103834 /nfs/dbraw/zinc/10/38/34/823103834.db2.gz RIGCERMQLPXQFV-LJQANCHMSA-N 1 0 393.503 4.131 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)NC[C@H]2CSc3ccccc32)CC1 ZINC000458903407 823104197 /nfs/dbraw/zinc/10/41/97/823104197.db2.gz CJGKISHNKDXFBE-IBGZPJMESA-N 1 0 395.572 4.182 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@H](C)c1cccc2ccccc21 ZINC000176040880 823104193 /nfs/dbraw/zinc/10/41/93/823104193.db2.gz HXPRAZRJXDBRQQ-QGZVFWFLSA-N 1 0 389.499 4.026 20 0 GIADRO COc1ccc(C)cc1NC(=O)[C@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1ccccc1 ZINC000187647868 823104574 /nfs/dbraw/zinc/10/45/74/823104574.db2.gz GUUDTRYCQLZYOO-WIYYLYMNSA-N 1 0 382.504 4.231 20 0 GIADRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1c(F)ccc(F)c1F ZINC000121026726 823105267 /nfs/dbraw/zinc/10/52/67/823105267.db2.gz DWJCJDPXPOFAIX-UHFFFAOYSA-N 1 0 380.435 4.213 20 0 GIADRO C[C@H](Nc1ccc(CC[NH+]2CCCCC2)cc1)C(=O)Nc1ccc(Cl)cn1 ZINC000056216159 823105393 /nfs/dbraw/zinc/10/53/93/823105393.db2.gz QUJKZBAWKFXETC-INIZCTEOSA-N 1 0 386.927 4.203 20 0 GIADRO COc1ccc(NC(=O)[C@H](C)Nc2ccc(CC[NH+]3CCCCC3)cc2)cc1 ZINC000056216163 823105397 /nfs/dbraw/zinc/10/53/97/823105397.db2.gz GISIVGJVUVFVEE-SFHVURJKSA-N 1 0 381.520 4.163 20 0 GIADRO CC(C)n1ncc2cc(CN3CCC[N@H+](Cc4ccccc4)C[C@@H]3C)cnc21 ZINC000121028668 823105614 /nfs/dbraw/zinc/10/56/14/823105614.db2.gz CJHRLKMZZRPYLW-IBGZPJMESA-N 1 0 377.536 4.109 20 0 GIADRO CCN(C(=O)NCC(C)(C)c1ccccn1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000458915194 823105708 /nfs/dbraw/zinc/10/57/08/823105708.db2.gz CTNMMCDMPJLDBO-FPOVZHCZSA-N 1 0 394.563 4.226 20 0 GIADRO C[C@@H](NC(=O)NCc1ccc(C[NH+](C)C)cc1)c1cccc(Br)c1 ZINC000121036946 823106876 /nfs/dbraw/zinc/10/68/76/823106876.db2.gz OOVJIXBMGOQGLX-CQSZACIVSA-N 1 0 390.325 4.071 20 0 GIADRO COc1ccc([C@H](C)CC(=O)Nc2ccccc2NC2CC[NH+](C)CC2)cc1 ZINC000176057415 823108694 /nfs/dbraw/zinc/10/86/94/823108694.db2.gz OWXAFLYDFWXGHZ-QGZVFWFLSA-N 1 0 381.520 4.334 20 0 GIADRO CC(C)c1ccccc1-n1c(SC[C@@H]2CC[N@H+](C)C2)nnc1-c1cccnc1 ZINC000187659924 823107577 /nfs/dbraw/zinc/10/75/77/823107577.db2.gz PHBRKUJZZREGLV-QGZVFWFLSA-N 1 0 393.560 4.497 20 0 GIADRO CC(=O)c1cccc(NC(=O)CS[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000570928176 823108747 /nfs/dbraw/zinc/10/87/47/823108747.db2.gz UXCIIGGFZKSVQY-OAQYLSRUSA-N 1 0 382.529 4.226 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)NCc1cc(C2CC2)ccc1F ZINC000458936160 823108887 /nfs/dbraw/zinc/10/88/87/823108887.db2.gz YRUFEOWWKAPDBC-UHFFFAOYSA-N 1 0 375.513 4.038 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)[C@@H](C)c1ccc(OC)cc1 ZINC000121051173 823109251 /nfs/dbraw/zinc/10/92/51/823109251.db2.gz RXWZNIIHVRRBSN-SFHVURJKSA-N 1 0 383.536 4.440 20 0 GIADRO CC[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1)c1ccc(Br)cc1Cl ZINC000187690411 823113776 /nfs/dbraw/zinc/11/37/76/823113776.db2.gz BTHWPDYGSSHJFU-MRXNPFEDSA-N 1 0 381.701 4.442 20 0 GIADRO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)C[N@@H+](C)[C@@H](C)C1CC1 ZINC000121054552 823110065 /nfs/dbraw/zinc/11/00/65/823110065.db2.gz RZNMDUWSWUDHLA-ZWKOTPCHSA-N 1 0 393.531 4.189 20 0 GIADRO Cc1nccnc1CC[NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000570944964 823110287 /nfs/dbraw/zinc/11/02/87/823110287.db2.gz NJSJNHSEJNRQDD-UHFFFAOYSA-N 1 0 378.423 4.260 20 0 GIADRO C[NH+](C)CCCN(Cc1cn(C(C)(C)C)nn1)Cc1ccc(Cl)c(Cl)c1 ZINC000570972620 823113934 /nfs/dbraw/zinc/11/39/34/823113934.db2.gz HXDGNNUGNVUHRF-UHFFFAOYSA-N 1 0 398.382 4.294 20 0 GIADRO Cc1cc(F)ccc1C1CC[NH+](C[C@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC000570973255 823113942 /nfs/dbraw/zinc/11/39/42/823113942.db2.gz HMZAJMQRWIIWOV-LJQANCHMSA-N 1 0 380.507 4.476 20 0 GIADRO CC(=O)Nc1cccc(Nc2nnc(SCCC[NH+]3CCCCC3)s2)c1 ZINC000187679563 823111883 /nfs/dbraw/zinc/11/18/83/823111883.db2.gz PUMRNRSPXPZNHJ-UHFFFAOYSA-N 1 0 391.566 4.208 20 0 GIADRO COCCOCc1ccc(C[NH2+][C@@H]2CCc3c2cccc3Br)cc1 ZINC000570963225 823112690 /nfs/dbraw/zinc/11/26/90/823112690.db2.gz GUJPKGUDGAFHRV-HXUWFJFHSA-N 1 0 390.321 4.389 20 0 GIADRO CCc1ccccc1NC(=O)[C@H](C)N(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000570970693 823113538 /nfs/dbraw/zinc/11/35/38/823113538.db2.gz PUFHLMARVAHWBO-OALUTQOASA-N 1 0 399.604 4.400 20 0 GIADRO CCc1cnc(CNC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)s1 ZINC000176084656 823115487 /nfs/dbraw/zinc/11/54/87/823115487.db2.gz GNUVELJDHSQCMN-UHFFFAOYSA-N 1 0 386.565 4.081 20 0 GIADRO Cc1nn2c(C[N@@H+]3CC[C@@]4(C3)CCc3ccccc3O4)c(C(C)C)nc2s1 ZINC000570983692 823115607 /nfs/dbraw/zinc/11/56/07/823115607.db2.gz NZMAPVHOYLWVHL-OAQYLSRUSA-N 1 0 382.533 4.192 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]Cc2cccc3ccccc32)c1 ZINC000121086049 823115867 /nfs/dbraw/zinc/11/58/67/823115867.db2.gz JEBXLBZIADPUFN-MRXNPFEDSA-N 1 0 378.472 4.364 20 0 GIADRO Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CCC(=O)Nc1cc(N)ccc1F ZINC000121103999 823119397 /nfs/dbraw/zinc/11/93/97/823119397.db2.gz JIRLCNGQSSGSJP-ZDUSSCGKSA-N 1 0 378.517 4.318 20 0 GIADRO CCN(C(=O)NC[C@@H]1CCCC1(F)F)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000459019573 823117700 /nfs/dbraw/zinc/11/77/00/823117700.db2.gz IMDAARAPGFPFJD-WDSOQIARSA-N 1 0 379.495 4.289 20 0 GIADRO O=C(NC[C@H]1CCCC1(F)F)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000459022139 823118057 /nfs/dbraw/zinc/11/80/57/823118057.db2.gz JTBCOLMTLVYODM-LJQANCHMSA-N 1 0 391.506 4.120 20 0 GIADRO Cc1cc(Br)cc2c1[C@@H]([NH2+]C1CCN(CC(F)(F)F)CC1)CC2 ZINC000571003072 823118519 /nfs/dbraw/zinc/11/85/19/823118519.db2.gz OCRPDHMLKKEWNS-HNNXBMFYSA-N 1 0 391.275 4.361 20 0 GIADRO CC[NH+](CC)[C@H](c1nc(-c2cccnc2N2CCCC2)no1)c1ccccc1 ZINC000571004413 823118620 /nfs/dbraw/zinc/11/86/20/823118620.db2.gz QZRAJLLZMPARTH-IBGZPJMESA-N 1 0 377.492 4.163 20 0 GIADRO CC[C@@H]([NH2+][C@@H]1CCc2c1cc(F)cc2F)c1ccccc1OCC(=O)N(C)C ZINC000121103198 823119185 /nfs/dbraw/zinc/11/91/85/823119185.db2.gz ZIIDVYHCGPSKIT-WOJBJXKFSA-N 1 0 388.458 4.160 20 0 GIADRO C[C@H]1C[C@H](NC(=O)c2sccc2Br)CC[N@@H+]1Cc1ccccc1 ZINC000176101449 823120803 /nfs/dbraw/zinc/12/08/03/823120803.db2.gz REAKNZJKVVFEEU-DZGCQCFKSA-N 1 0 393.350 4.294 20 0 GIADRO CS(=O)(=O)Cc1ccc(C[NH2+]Cc2ccc(-c3ccccc3Cl)o2)cc1 ZINC000121115708 823121223 /nfs/dbraw/zinc/12/12/23/823121223.db2.gz VPWQQVQNWJOEIK-UHFFFAOYSA-N 1 0 389.904 4.434 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)c2cc(-c3cccs3)on2)CC[N@@H+]1Cc1ccccc1 ZINC000176103262 823121769 /nfs/dbraw/zinc/12/17/69/823121769.db2.gz XXAPZOLOKVHQBK-WBVHZDCISA-N 1 0 381.501 4.186 20 0 GIADRO CCCn1ncc(NC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1C1CC1 ZINC000571038677 823123830 /nfs/dbraw/zinc/12/38/30/823123830.db2.gz CQEQTGWDEFTCTN-SFHVURJKSA-N 1 0 387.572 4.146 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)Cc2ccc(C(F)(F)F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000176117595 823126162 /nfs/dbraw/zinc/12/61/62/823126162.db2.gz NOBUOMUDXSGIGG-OXQOHEQNSA-N 1 0 390.449 4.417 20 0 GIADRO COc1ccc([C@@H]2CCCCCN2C(=O)NC2CC[NH+](C3CCC3)CC2)cc1 ZINC000459093236 823127169 /nfs/dbraw/zinc/12/71/69/823127169.db2.gz GCYGSTYWYJXHPN-QFIPXVFZSA-N 1 0 385.552 4.339 20 0 GIADRO COc1ccccc1[C@H]1CC[C@@H](C)CN1C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000459115467 823130121 /nfs/dbraw/zinc/13/01/21/823130121.db2.gz UCACIZPEDMUFLT-DYESRHJHSA-N 1 0 385.552 4.195 20 0 GIADRO Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000056326954 823128539 /nfs/dbraw/zinc/12/85/39/823128539.db2.gz DRLFOEJRQNUZSG-UHFFFAOYSA-N 1 0 396.579 4.366 20 0 GIADRO Cc1ccc(CCN(Cc2ccco2)C(=O)NC2CC[NH+](C3CCC3)CC2)cc1 ZINC000459113221 823129333 /nfs/dbraw/zinc/12/93/33/823129333.db2.gz RXPDSYNKMKVRKL-UHFFFAOYSA-N 1 0 395.547 4.359 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C2(Cc3ccc(OC(F)(F)F)cc3)CC2)[C@H](C)C1 ZINC000187769625 823129382 /nfs/dbraw/zinc/12/93/82/823129382.db2.gz GGLAHLYAAVIKFJ-CRAIPNDOSA-N 1 0 398.469 4.097 20 0 GIADRO C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)c1 ZINC000056332110 823129457 /nfs/dbraw/zinc/12/94/57/823129457.db2.gz MIKQGEWBDYBRNW-JTSKRJEESA-N 1 0 391.515 4.172 20 0 GIADRO CCCCc1oc2ccccc2c1CN(C)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000121158006 823129572 /nfs/dbraw/zinc/12/95/72/823129572.db2.gz OZWFGJPUKMLYNC-QGZVFWFLSA-N 1 0 383.536 4.401 20 0 GIADRO Cc1ccccc1C[C@@H](C)[NH2+]CCC(=O)Nc1cccc(Br)c1 ZINC000571085822 823129808 /nfs/dbraw/zinc/12/98/08/823129808.db2.gz QKJMZSPNQNZZIZ-OAHLLOKOSA-N 1 0 375.310 4.307 20 0 GIADRO C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+]CC1(S(C)(=O)=O)CCCC1 ZINC000571120568 823135469 /nfs/dbraw/zinc/13/54/69/823135469.db2.gz SPWNSVGYJNHGTJ-UVTDQMKNSA-N 1 0 375.456 4.056 20 0 GIADRO Clc1ccc(OC[C@@H]2CCCO2)c(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1 ZINC000121177586 823132904 /nfs/dbraw/zinc/13/29/04/823132904.db2.gz XWWKLVKOEZDYAM-QAPCUYQASA-N 1 0 375.900 4.001 20 0 GIADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 ZINC000176138920 823133429 /nfs/dbraw/zinc/13/34/29/823133429.db2.gz CJIWXHWHHRHFDO-HXUWFJFHSA-N 1 0 393.959 4.062 20 0 GIADRO COc1ccc([C@H](CN(C)C)[NH2+]Cc2ccc(OC(F)F)c(Cl)c2)cc1 ZINC000571111002 823133618 /nfs/dbraw/zinc/13/36/18/823133618.db2.gz ZGVMRRDMKQOBSO-KRWDZBQOSA-N 1 0 384.854 4.343 20 0 GIADRO CCOc1cc(CN[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)cc(Br)c1O ZINC000571111871 823133948 /nfs/dbraw/zinc/13/39/48/823133948.db2.gz BNDUHTLMAAQARA-RBSFLKMASA-N 1 0 399.373 4.009 20 0 GIADRO CCSc1cc(C[NH2+][C@H](C)c2ccc(OCc3nccn3C)cc2)ccn1 ZINC000187794454 823134491 /nfs/dbraw/zinc/13/44/91/823134491.db2.gz XRWRGLUABWEHMT-MRXNPFEDSA-N 1 0 382.533 4.357 20 0 GIADRO CC(C)c1nccn1Cc1cccc(NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000121189292 823134917 /nfs/dbraw/zinc/13/49/17/823134917.db2.gz ZNLHLNNAYYTKNF-KRWDZBQOSA-N 1 0 385.556 4.153 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccccc2O[C@@H](C)C(F)(F)F)C[C@H]1C ZINC000571123378 823135783 /nfs/dbraw/zinc/13/57/83/823135783.db2.gz VDRBDXDHLIDJQT-ILXRZTDVSA-N 1 0 387.446 4.353 20 0 GIADRO C[N@H+](CCCCNC(=O)N1Cc2ccccc2C[C@@H]1c1ccccc1)C1CC1 ZINC000459173679 823138217 /nfs/dbraw/zinc/13/82/17/823138217.db2.gz ZJAREICITQWUJS-HSZRJFAPSA-N 1 0 377.532 4.370 20 0 GIADRO C[C@@H](c1cc(F)ccc1F)N(C)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000056367487 823138308 /nfs/dbraw/zinc/13/83/08/823138308.db2.gz WODIZIKYJWMAIQ-INIZCTEOSA-N 1 0 387.474 4.463 20 0 GIADRO C[NH+](C)Cc1ccnc(NC(=O)C2(Cc3ccc(OC(F)(F)F)cc3)CC2)c1 ZINC000187824951 823140945 /nfs/dbraw/zinc/14/09/45/823140945.db2.gz OLLQSWQQOVBFAQ-UHFFFAOYSA-N 1 0 393.409 4.003 20 0 GIADRO C[C@H]1CC(C)(C)CN1C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000571148759 823141054 /nfs/dbraw/zinc/14/10/54/823141054.db2.gz XOHMFTYTPNKINM-KRWDZBQOSA-N 1 0 386.540 4.153 20 0 GIADRO C[C@@H](CC(=O)N1CC[C@@H](Oc2ccncc2)C1)c1ccc(C(F)(F)F)cc1 ZINC000121241602 823145693 /nfs/dbraw/zinc/14/56/93/823145693.db2.gz DTCIYVKAERFSAA-KBXCAEBGSA-N 1 0 378.394 4.274 20 0 GIADRO C[C@@H](O)C[N@H+](Cc1nnc(-c2cc3c(s2)CCCC3)o1)C1CCCCC1 ZINC000121222289 823141482 /nfs/dbraw/zinc/14/14/82/823141482.db2.gz GEBLDFBFSYPHGP-CQSZACIVSA-N 1 0 375.538 4.192 20 0 GIADRO C[C@H](O)C[N@H+](Cc1nnc(-c2cc3c(s2)CCCC3)o1)C1CCCCC1 ZINC000121222140 823141546 /nfs/dbraw/zinc/14/15/46/823141546.db2.gz GEBLDFBFSYPHGP-AWEZNQCLSA-N 1 0 375.538 4.192 20 0 GIADRO Cc1noc(C)c1C[C@@H](C)[NH2+]C[C@H](O)COc1ccc(Oc2ccccc2)cc1 ZINC000571158606 823142266 /nfs/dbraw/zinc/14/22/66/823142266.db2.gz PCYNVFRNKYVQPO-APWZRJJASA-N 1 0 396.487 4.044 20 0 GIADRO Cc1ccccc1-c1nn(-c2ccccc2)cc1C[N@@H+](C)[C@@H](C)C[S@](C)=O ZINC000187833651 823142549 /nfs/dbraw/zinc/14/25/49/823142549.db2.gz HBPYHTDKZIRXMK-MYUZEXMDSA-N 1 0 381.545 4.047 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)N[C@@H](CC(F)(F)F)c2ccccc2)c1 ZINC000056395930 823142587 /nfs/dbraw/zinc/14/25/87/823142587.db2.gz SOBPUFHFFKKMPY-SFHVURJKSA-N 1 0 379.426 4.241 20 0 GIADRO CC(C)(C)OC(=O)N1CCc2cccc(C[N@@H+]3CCC[C@@H](c4cc[nH]n4)C3)c21 ZINC000121229956 823143163 /nfs/dbraw/zinc/14/31/63/823143163.db2.gz JBGCPQAXPYVKPH-QGZVFWFLSA-N 1 0 382.508 4.087 20 0 GIADRO C[C@@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000459201765 823143199 /nfs/dbraw/zinc/14/31/99/823143199.db2.gz SWXIYMQVURFWBE-AWEZNQCLSA-N 1 0 390.409 4.126 20 0 GIADRO Cc1nc(-c2ccc(NC(=O)C3CC[NH+]([C@@H]4CCSC4)CC3)cc2)cs1 ZINC000571175419 823144212 /nfs/dbraw/zinc/14/42/12/823144212.db2.gz DICFLVABZCSAFJ-GOSISDBHSA-N 1 0 387.574 4.275 20 0 GIADRO C/C=C\c1ccc(NC(=O)N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)cc1 ZINC000571192329 823146415 /nfs/dbraw/zinc/14/64/15/823146415.db2.gz UHTWPPHGUZNIOM-PUKNDKIYSA-N 1 0 381.524 4.000 20 0 GIADRO CN(Cc1ccc(C(C)(C)C)cc1)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000056422224 823147547 /nfs/dbraw/zinc/14/75/47/823147547.db2.gz CBMAJVMOXKTJSM-UHFFFAOYSA-N 1 0 394.563 4.185 20 0 GIADRO COc1ccc([C@H](NC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)C(C)C)cc1 ZINC000121252896 823147967 /nfs/dbraw/zinc/14/79/67/823147967.db2.gz NOANFWXIHHDHPT-JOCHJYFZSA-N 1 0 399.535 4.291 20 0 GIADRO CO[C@H]1CN(C(=O)Nc2ccc(SCC[NH+]3CCCCC3)cc2)CC[C@@H]1C ZINC000571203774 823148143 /nfs/dbraw/zinc/14/81/43/823148143.db2.gz GXKWULDUYNHIKM-PXNSSMCTSA-N 1 0 391.581 4.153 20 0 GIADRO O=C(Nc1ccccc1O)C1CC[NH+](Cc2ccc(Cl)c3cccnc23)CC1 ZINC000121254730 823148689 /nfs/dbraw/zinc/14/86/89/823148689.db2.gz VOWHWPBEWNICJW-UHFFFAOYSA-N 1 0 395.890 4.445 20 0 GIADRO C[N@@H+]1CCC[C@@H](CCNC(=O)N(Cc2ccccc2)Cc2ccccc2F)C1 ZINC000459246588 823151315 /nfs/dbraw/zinc/15/13/15/823151315.db2.gz CGDXPMVJWPTERB-FQEVSTJZSA-N 1 0 383.511 4.269 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1C[C@H]1c1ccccc1F ZINC000459234780 823149434 /nfs/dbraw/zinc/14/94/34/823149434.db2.gz PGTJMUSDDQEYOH-UNWVZKJWSA-N 1 0 395.522 4.235 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1C[C@H]1c1ccccc1F ZINC000459234779 823149479 /nfs/dbraw/zinc/14/94/79/823149479.db2.gz PGTJMUSDDQEYOH-IEIRFRATSA-N 1 0 395.522 4.235 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)N[C@H]1CCSc2ccccc21 ZINC000056441391 823149832 /nfs/dbraw/zinc/14/98/32/823149832.db2.gz XKAYKKCJBLWMJI-FQEVSTJZSA-N 1 0 399.535 4.326 20 0 GIADRO C[N@@H+]1CCC[C@@H](CCNC(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)C1 ZINC000459248574 823151398 /nfs/dbraw/zinc/15/13/98/823151398.db2.gz DOQVYKZBBRELCL-HNNXBMFYSA-N 1 0 383.458 4.111 20 0 GIADRO COc1ccc(C[C@H](C)C(=O)N2c3ccc(C)cc3[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1 ZINC000121263758 823150636 /nfs/dbraw/zinc/15/06/36/823150636.db2.gz ULACCCBSZDZCNI-HYVJGQCMSA-N 1 0 378.516 4.017 20 0 GIADRO C[NH+](C)CCN(Cc1cnc(-c2ccco2)s1)Cc1ccc(F)c(F)c1 ZINC000571219669 823150689 /nfs/dbraw/zinc/15/06/89/823150689.db2.gz PLRRGQUYESTDOJ-UHFFFAOYSA-N 1 0 377.460 4.245 20 0 GIADRO Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000176204175 823151940 /nfs/dbraw/zinc/15/19/40/823151940.db2.gz OBLYOODTASUHBL-LJQANCHMSA-N 1 0 397.563 4.261 20 0 GIADRO CC(C)C[N@@H+](Cc1nccn1Cc1ccccc1)C[C@@H](O)c1ccc(F)cc1 ZINC000121278941 823153675 /nfs/dbraw/zinc/15/36/75/823153675.db2.gz DOIRRRBTQHGWCS-JOCHJYFZSA-N 1 0 381.495 4.262 20 0 GIADRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3csc(-c4ccc(Cl)cc4)n3)[C@H]2C1 ZINC000571240115 823153821 /nfs/dbraw/zinc/15/38/21/823153821.db2.gz LHQCXLHJOLUXKZ-SNRMKQJTSA-N 1 0 389.952 4.200 20 0 GIADRO Cc1ccc(CN(Cc2ccco2)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)s1 ZINC000459266700 823153954 /nfs/dbraw/zinc/15/39/54/823153954.db2.gz QDELQUQCOMRZSV-QGZVFWFLSA-N 1 0 375.538 4.093 20 0 GIADRO O=C(C[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O)Nc1ccccc1-c1ccccc1 ZINC000571255457 823156465 /nfs/dbraw/zinc/15/64/65/823156465.db2.gz VCXNJGKGSHOHLO-YMPZKCBVSA-N 1 0 378.516 4.308 20 0 GIADRO O=C(C[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O)Nc1ccccc1-c1ccccc1 ZINC000571255455 823156499 /nfs/dbraw/zinc/15/64/99/823156499.db2.gz VCXNJGKGSHOHLO-MZYLBHOOSA-N 1 0 378.516 4.308 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)Nc1ccccc1Br ZINC000459285858 823156536 /nfs/dbraw/zinc/15/65/36/823156536.db2.gz XDNGPOKJXXKDOA-UHFFFAOYSA-N 1 0 382.327 4.106 20 0 GIADRO CCC[C@@H](NC(=O)N1CCC[C@H]([N@H+](C)Cc2ccccn2)CC1)C1CCCC1 ZINC000459320924 823161140 /nfs/dbraw/zinc/16/11/40/823161140.db2.gz QGXMUVWSIGVKJE-FCHUYYIVSA-N 1 0 386.584 4.436 20 0 GIADRO Cc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccsc2)c(Br)c1 ZINC000459298461 823157973 /nfs/dbraw/zinc/15/79/73/823157973.db2.gz GXIKAMNCRNSFIQ-UHFFFAOYSA-N 1 0 396.354 4.415 20 0 GIADRO Cc1cc(Br)ccc1NC(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000459301630 823158583 /nfs/dbraw/zinc/15/85/83/823158583.db2.gz KVEHDMHLKPWJCX-UHFFFAOYSA-N 1 0 396.354 4.415 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)N3Cc4ccc(Cl)cc4C3)c(C)c2)CC1 ZINC000459323512 823161266 /nfs/dbraw/zinc/16/12/66/823161266.db2.gz IMWONRKQXNUISD-UHFFFAOYSA-N 1 0 398.938 4.338 20 0 GIADRO CCCNC(=O)C1CC[NH+](Cc2cc(-c3ccccc3C)ccc2OC)CC1 ZINC000459307540 823159449 /nfs/dbraw/zinc/15/94/49/823159449.db2.gz JCJLZBLWZYONLJ-UHFFFAOYSA-N 1 0 380.532 4.409 20 0 GIADRO OCC[N@H+](Cc1cn(C2CCCC2)nc1-c1ccccn1)Cc1ccccc1 ZINC000459310263 823159715 /nfs/dbraw/zinc/15/97/15/823159715.db2.gz ZSTLCCOFVQHZMY-UHFFFAOYSA-N 1 0 376.504 4.055 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)NCC(C)(F)F)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000571279083 823160039 /nfs/dbraw/zinc/16/00/39/823160039.db2.gz XDURUAOOOQFQBQ-ZFWWWQNUSA-N 1 0 393.400 4.043 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc(F)c(Cl)c2)[C@@H]1c1cccs1 ZINC000176237887 823160447 /nfs/dbraw/zinc/16/04/47/823160447.db2.gz BOAKLUGBKLZXAP-KBXCAEBGSA-N 1 0 395.931 4.423 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+]CCCc1nnc3n1CCCCC3)CCCS2 ZINC000187937442 823160940 /nfs/dbraw/zinc/16/09/40/823160940.db2.gz SVAUORVXAAJAGM-GOSISDBHSA-N 1 0 386.565 4.163 20 0 GIADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)N[C@H](c2ccco2)c2ccccc2)CC1 ZINC000121312641 823161098 /nfs/dbraw/zinc/16/10/98/823161098.db2.gz UFVFYAQMGJGANU-QFIPXVFZSA-N 1 0 393.487 4.268 20 0 GIADRO CCC[C@H](NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)C1CCCC1 ZINC000459327481 823161769 /nfs/dbraw/zinc/16/17/69/823161769.db2.gz YCSIAHJYQVQDMT-KRWDZBQOSA-N 1 0 377.495 4.404 20 0 GIADRO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](C[C@@H]3CCC4(CCCC4)O3)C2)cc1 ZINC000571301193 823162065 /nfs/dbraw/zinc/16/20/65/823162065.db2.gz ATSQUULUBLPYHK-FPOVZHCZSA-N 1 0 385.552 4.320 20 0 GIADRO CCO[C@@H]1C[C@]([NH3+])(C(=O)Nc2cccc(COc3ccccc3)c2C)C1(C)C ZINC000187946310 823162307 /nfs/dbraw/zinc/16/23/07/823162307.db2.gz QHJSHFGEZYQONR-OFNKIYASSA-N 1 0 382.504 4.045 20 0 GIADRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000571310969 823163518 /nfs/dbraw/zinc/16/35/18/823163518.db2.gz WNDBNYUQDCTVLG-KQLYMOGASA-N 1 0 380.488 4.209 20 0 GIADRO CCOCCOc1c(Cl)cccc1NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000176253038 823163534 /nfs/dbraw/zinc/16/35/34/823163534.db2.gz ULVSRNDVVJJWAG-INIZCTEOSA-N 1 0 394.943 4.348 20 0 GIADRO CCOc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccsc2)cc1Cl ZINC000459338096 823164580 /nfs/dbraw/zinc/16/45/80/823164580.db2.gz FREBGWUYCUGDKP-UHFFFAOYSA-N 1 0 381.929 4.396 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)CSc2nc3ccccc3o2)c1 ZINC000121334598 823165240 /nfs/dbraw/zinc/16/52/40/823165240.db2.gz CEGWNKLHADTGPS-UHFFFAOYSA-N 1 0 383.517 4.078 20 0 GIADRO CC(=O)NCCC[NH2+][C@H](C)c1sc(-c2ccc(Br)cc2)nc1C ZINC000121334135 823165262 /nfs/dbraw/zinc/16/52/62/823165262.db2.gz VUUMSVQYXWXFGX-LLVKDONJSA-N 1 0 396.354 4.058 20 0 GIADRO COCCOC1CC[NH+](C/C=C\c2ccc(OCc3ccccc3)cc2)CC1 ZINC000459341902 823165441 /nfs/dbraw/zinc/16/54/41/823165441.db2.gz GEDGYLWTZMVWMA-YVMONPNESA-N 1 0 381.516 4.406 20 0 GIADRO O=C1CCCN1c1ccc(N[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000571327205 823165885 /nfs/dbraw/zinc/16/58/85/823165885.db2.gz ROVWNYJFVXLOIA-NRFANRHFSA-N 1 0 375.516 4.423 20 0 GIADRO CC[C@H](NC(=O)c1ccccc1)c1noc(/C=C\c2ccc(-n3ccnc3)cc2)n1 ZINC000571364279 823171653 /nfs/dbraw/zinc/17/16/53/823171653.db2.gz CIFVDPGVZLJBJU-IMTHGLKYSA-N 1 0 399.454 4.307 20 0 GIADRO O=C(Nc1cccc(N2CCCCC2)c1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000056554779 823168480 /nfs/dbraw/zinc/16/84/80/823168480.db2.gz WKQACMSVKPUFQK-NRFANRHFSA-N 1 0 378.520 4.073 20 0 GIADRO COc1cccc2c1CC[C@@H]2NC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000121355261 823169412 /nfs/dbraw/zinc/16/94/12/823169412.db2.gz TXLXGHACSLNXGU-VGSWGCGISA-N 1 0 393.531 4.207 20 0 GIADRO c1c2c(sc1-c1nnc(CN3CCC[C@H]([NH+]4CCCC4)CC3)o1)CCCC2 ZINC000121356616 823169669 /nfs/dbraw/zinc/16/96/69/823169669.db2.gz QZWLYFWOTAQKEU-KRWDZBQOSA-N 1 0 386.565 4.127 20 0 GIADRO Cc1ccc(C[C@@H](C)NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)s1 ZINC000176279063 823170829 /nfs/dbraw/zinc/17/08/29/823170829.db2.gz RUWTXUJRCAAFOG-QGZVFWFLSA-N 1 0 385.577 4.294 20 0 GIADRO CN(CC[C@H]1CCCC[N@@H+]1C)Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459360359 823171555 /nfs/dbraw/zinc/17/15/55/823171555.db2.gz FPGHUEFDRQRZKD-HXUWFJFHSA-N 1 0 381.568 4.366 20 0 GIADRO CC(C)C(=O)Nc1cccc(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000176288276 823172893 /nfs/dbraw/zinc/17/28/93/823172893.db2.gz FPDYYNJLAOKUEV-UHFFFAOYSA-N 1 0 386.540 4.200 20 0 GIADRO Oc1cccc(CNCc2ccccc2C[NH+]2CCCCC2)c1Br ZINC000459371983 823175195 /nfs/dbraw/zinc/17/51/95/823175195.db2.gz HQHQTXOKFTZFSJ-UHFFFAOYSA-N 1 0 389.337 4.430 20 0 GIADRO CCOc1ccc(C(=O)N2CCC([NH2+]CCc3cccc(Cl)c3)CC2)cc1 ZINC000459375937 823176553 /nfs/dbraw/zinc/17/65/53/823176553.db2.gz KXHTZXYEBOSGQK-UHFFFAOYSA-N 1 0 386.923 4.176 20 0 GIADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000056598704 823177852 /nfs/dbraw/zinc/17/78/52/823177852.db2.gz MDJYVTZRJSOCKT-BRWVUGGUSA-N 1 0 398.507 4.020 20 0 GIADRO O=c1cc(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)nc(-c2ccccc2)[nH]1 ZINC000459380109 823177915 /nfs/dbraw/zinc/17/79/15/823177915.db2.gz ASVQHJDYOXIKGX-UTKZUKDTSA-N 1 0 375.472 4.107 20 0 GIADRO Cc1ccc(CNC(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)nc1C ZINC000571403811 823178024 /nfs/dbraw/zinc/17/80/24/823178024.db2.gz PAGZRTDEFMBRDJ-SFHVURJKSA-N 1 0 380.536 4.072 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(NC(=O)c3ccc(C)cc3)c2)[C@H]1SC ZINC000459381529 823178280 /nfs/dbraw/zinc/17/82/80/823178280.db2.gz CKCKHNFODAEZKP-PWRODBHTSA-N 1 0 384.545 4.246 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(-n3cncn3)cc2)[C@H]1Sc1ccccc1 ZINC000459383007 823178744 /nfs/dbraw/zinc/17/87/44/823178744.db2.gz UEFQOZLYBTYNDM-IDZYALCFSA-N 1 0 394.544 4.256 20 0 GIADRO COc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@H](c3ccc(F)cc3)C[C@H]2C)c(OC)c1 ZINC000121430826 823183069 /nfs/dbraw/zinc/18/30/69/823183069.db2.gz AHDOOPDKFHGNED-HLLBOEOZSA-N 1 0 386.467 4.048 20 0 GIADRO OCCC1(C[NH2+][C@H](c2ccccc2)c2cc(Br)ccc2F)CC1 ZINC000188058918 823179361 /nfs/dbraw/zinc/17/93/61/823179361.db2.gz UJGOZRMCJJLZAJ-GOSISDBHSA-N 1 0 378.285 4.430 20 0 GIADRO C[C@H](c1cccc(Br)c1)[NH+]1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000121431184 823183212 /nfs/dbraw/zinc/18/32/12/823183212.db2.gz RXKDJJXWIMOHEU-HZPDHXFCSA-N 1 0 393.369 4.481 20 0 GIADRO COc1ccccc1Oc1ccc(NC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1F ZINC000571413943 823179778 /nfs/dbraw/zinc/17/97/78/823179778.db2.gz OYGNUMFLZHMOAZ-HRCADAONSA-N 1 0 399.466 4.136 20 0 GIADRO CC(C)n1cnnc1-c1ccccc1NC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000176328679 823183187 /nfs/dbraw/zinc/18/31/87/823183187.db2.gz GHPVGOBZBZAZMU-GOSISDBHSA-N 1 0 398.555 4.160 20 0 GIADRO Cc1cc(C)c(C(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)c(C)c1 ZINC000121413153 823180208 /nfs/dbraw/zinc/18/02/08/823180208.db2.gz WAEUARXVWUQXEV-UHFFFAOYSA-N 1 0 394.559 4.413 20 0 GIADRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc2c(c1)CCCCC2=O ZINC000571427005 823181279 /nfs/dbraw/zinc/18/12/79/823181279.db2.gz GSCKGOYHROSBTG-QGZVFWFLSA-N 1 0 396.556 4.299 20 0 GIADRO CCC[C@@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)c1ccc(F)cc1F ZINC000571427792 823181298 /nfs/dbraw/zinc/18/12/98/823181298.db2.gz JEHCMTKPAVQSLQ-VQIMIIECSA-N 1 0 382.520 4.140 20 0 GIADRO Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000571432523 823182021 /nfs/dbraw/zinc/18/20/21/823182021.db2.gz MWFLXRPZYOSQNQ-MFKMUULPSA-N 1 0 382.291 4.075 20 0 GIADRO c1sc(-c2ncccn2)nc1CS[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000571446276 823183902 /nfs/dbraw/zinc/18/39/02/823183902.db2.gz ZYVGGGBNXFUXHO-SFHVURJKSA-N 1 0 382.558 4.498 20 0 GIADRO C[C@@H]([NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1)c1cccc(CO)c1 ZINC000121434387 823183898 /nfs/dbraw/zinc/18/38/98/823183898.db2.gz VAYCVQKRSWRPHR-NVXWUHKLSA-N 1 0 389.337 4.119 20 0 GIADRO C[C@H]([NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1)c1cccc(CO)c1 ZINC000121434215 823183918 /nfs/dbraw/zinc/18/39/18/823183918.db2.gz VAYCVQKRSWRPHR-DOTOQJQBSA-N 1 0 389.337 4.119 20 0 GIADRO CC[NH+]1CCC(N(C)C(=O)c2ccc3noc(-c4ccc(F)cc4)c3c2)CC1 ZINC000121436595 823184079 /nfs/dbraw/zinc/18/40/79/823184079.db2.gz GAURXLYZLJASDO-UHFFFAOYSA-N 1 0 381.451 4.190 20 0 GIADRO COCCSc1ccc([C@@H](C)[NH2+]Cc2cc(=O)[nH]c(-c3ccccc3)n2)cc1 ZINC000459400821 823184099 /nfs/dbraw/zinc/18/40/99/823184099.db2.gz WVYOAUSLDFJKBK-MRXNPFEDSA-N 1 0 395.528 4.439 20 0 GIADRO Cn1cncc1CC[NH2+][C@@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000459401262 823184534 /nfs/dbraw/zinc/18/45/34/823184534.db2.gz LTDDDTONDXDULL-AWEZNQCLSA-N 1 0 376.220 4.008 20 0 GIADRO CCN(CCC[NH+]1CCCC1)C(=O)c1cc(-c2cccnc2)nc2ccccc21 ZINC000188113778 823188621 /nfs/dbraw/zinc/18/86/21/823188621.db2.gz NVQJFEOSFSSVFD-UHFFFAOYSA-N 1 0 388.515 4.245 20 0 GIADRO C[N@H+](Cc1cc(=O)[nH]c(-c2ccccc2)n1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000459402860 823185254 /nfs/dbraw/zinc/18/52/54/823185254.db2.gz NVDMDQIUFYXBEA-RTWAWAEBSA-N 1 0 393.462 4.340 20 0 GIADRO CC(C)Cc1ccc([C@H](CNC(=O)c2ncccc2C(F)(F)F)[NH+](C)C)cc1 ZINC000571455142 823185292 /nfs/dbraw/zinc/18/52/92/823185292.db2.gz FCCYEMRCSWYIJR-SFHVURJKSA-N 1 0 393.453 4.332 20 0 GIADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)Nc2cc(F)cc(Cl)c2)CC1 ZINC000121444059 823185705 /nfs/dbraw/zinc/18/57/05/823185705.db2.gz BSVARGIBOJXLIR-ZDUSSCGKSA-N 1 0 376.863 4.221 20 0 GIADRO c1c(C[NH2+][C@@H]2CCN(c3ccccc3)C2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459413664 823187248 /nfs/dbraw/zinc/18/72/48/823187248.db2.gz UQNZAHACOPYYRC-HXUWFJFHSA-N 1 0 387.531 4.429 20 0 GIADRO CC(=O)Nc1ccc(C)c(C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)c1 ZINC000188105301 823187355 /nfs/dbraw/zinc/18/73/55/823187355.db2.gz ZRNNOVFPZUBPSB-SFHVURJKSA-N 1 0 393.531 4.258 20 0 GIADRO Cc1ccc(NC(=O)C2(C[NH2+]Cc3cnc(C4CC4)nc3)CCCC2)cc1C ZINC000459416752 823187947 /nfs/dbraw/zinc/18/79/47/823187947.db2.gz CMKOZSJWRIFCFI-UHFFFAOYSA-N 1 0 378.520 4.260 20 0 GIADRO C[C@H]([NH2+]CC(=O)NC(C)(C)C)c1ccc(Br)cc1C(F)(F)F ZINC000188111705 823188014 /nfs/dbraw/zinc/18/80/14/823188014.db2.gz SITVMFRNCXQLPX-VIFPVBQESA-N 1 0 381.236 4.033 20 0 GIADRO CC(C)[C@H](NC(=O)N(CC[NH+](C)C)Cc1cccs1)c1nc2ccccc2[nH]1 ZINC000176344215 823188226 /nfs/dbraw/zinc/18/82/26/823188226.db2.gz NUWWAVBBTIRSFT-IBGZPJMESA-N 1 0 399.564 4.095 20 0 GIADRO COC[C@H]([NH2+]CCOc1c(Cl)cc(Cl)cc1Cl)C1CCOCC1 ZINC000188117346 823189154 /nfs/dbraw/zinc/18/91/54/823189154.db2.gz CKLCSPHQFGECQI-HNNXBMFYSA-N 1 0 382.715 4.057 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc3c(c2)OC(CC)(CC)O3)[C@@H](C)C1 ZINC000188119829 823189469 /nfs/dbraw/zinc/18/94/69/823189469.db2.gz ZYPVBFSIRHLNAC-RDJZCZTQSA-N 1 0 375.513 4.168 20 0 GIADRO CCO[C@H]1C[C@@]([NH3+])(C(=O)NCc2sc3ccc(Cl)cc3c2C)C1(C)C ZINC000571520755 823195418 /nfs/dbraw/zinc/19/54/18/823195418.db2.gz YRFJREBTRIIITJ-QFBILLFUSA-N 1 0 380.941 4.012 20 0 GIADRO CCOc1cc(C[NH2+][C@H](CC)c2c(C)nn(C)c2C)cc(Br)c1O ZINC000459425554 823189935 /nfs/dbraw/zinc/18/99/35/823189935.db2.gz MOWBVMMRNCMJAY-OAHLLOKOSA-N 1 0 396.329 4.145 20 0 GIADRO Cc1nccn1CCCC[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459425323 823189958 /nfs/dbraw/zinc/18/99/58/823189958.db2.gz HEIXJDLQEKBAMP-UHFFFAOYSA-N 1 0 378.524 4.135 20 0 GIADRO Cc1nn(-c2cc[nH+]cc2)cc1CNCc1nc(-c2ccccc2F)cs1 ZINC000571488408 823190561 /nfs/dbraw/zinc/19/05/61/823190561.db2.gz MXTAFXUZPFAFRT-UHFFFAOYSA-N 1 0 379.464 4.128 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCOC3(CCSCC3)C2)[C@H]1Sc1ccccc1 ZINC000459428640 823190586 /nfs/dbraw/zinc/19/05/86/823190586.db2.gz BPICNFPOXQORGM-GSEOLPGOSA-N 1 0 393.618 4.359 20 0 GIADRO OCC[C@@H](C[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1)c1ccccc1 ZINC000459429304 823190591 /nfs/dbraw/zinc/19/05/91/823190591.db2.gz KFRTZQDJVAULMQ-FQEVSTJZSA-N 1 0 390.531 4.316 20 0 GIADRO CCOc1cc(C[NH2+][C@@H](CC(C)C)C(=O)Nc2nccs2)cc(Cl)c1O ZINC000459432877 823191351 /nfs/dbraw/zinc/19/13/51/823191351.db2.gz HIYAPRUKVMGQSQ-AWEZNQCLSA-N 1 0 397.928 4.044 20 0 GIADRO CCOc1cc(C[NH2+][C@@H]2CCc3c2cccc3OC)cc(Br)c1O ZINC000459437024 823192015 /nfs/dbraw/zinc/19/20/15/823192015.db2.gz GINWYQXFJXZXBU-MRXNPFEDSA-N 1 0 392.293 4.339 20 0 GIADRO Cc1cc(C)n(-c2ccccc2C[NH2+]Cc2ccccc2N2CCO[C@@H](C)C2)n1 ZINC000459443508 823193002 /nfs/dbraw/zinc/19/30/02/823193002.db2.gz QCYGWJOYVQQKCB-FQEVSTJZSA-N 1 0 390.531 4.004 20 0 GIADRO CC[NH+]1C[C@@H](C)N(Cc2csc(N(C(C)=O)c3ccc(C)cc3)n2)[C@H](C)C1 ZINC000459451484 823194499 /nfs/dbraw/zinc/19/44/99/823194499.db2.gz AWEXMMFTIWJHMK-IAGOWNOFSA-N 1 0 386.565 4.051 20 0 GIADRO CC[C@H](CNC(=O)Nc1cccnc1C(F)(F)F)[N@@H+]1CCc2ccccc2C1 ZINC000571480000 823189111 /nfs/dbraw/zinc/18/91/11/823189111.db2.gz XQDKYXFRMWSQJD-MRXNPFEDSA-N 1 0 392.425 4.059 20 0 GIADRO C[S@](=O)Cc1ccc(C[NH2+][C@H]2CCCc3cc(Br)ccc32)cc1 ZINC000571531702 823196912 /nfs/dbraw/zinc/19/69/12/823196912.db2.gz PQZCJOAZCOOJTM-CVDCTZTESA-N 1 0 392.362 4.495 20 0 GIADRO CCOc1cc(C[NH2+]C[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)ccc1O ZINC000459461146 823196877 /nfs/dbraw/zinc/19/68/77/823196877.db2.gz JUAXUQOOWAULRO-IERDGZPVSA-N 1 0 392.902 4.366 20 0 GIADRO Cc1csc(C2(NC(=O)[C@@H](c3ccc(Cl)cc3)N(C)C)CCCC2)n1 ZINC000571533110 823196915 /nfs/dbraw/zinc/19/69/15/823196915.db2.gz DRKWHNJTPFUTRD-MRXNPFEDSA-N 1 0 377.941 4.293 20 0 GIADRO Cc1nc(NC(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)sc1Cc1cccc(C)c1 ZINC000571533602 823197152 /nfs/dbraw/zinc/19/71/52/823197152.db2.gz SHHVEMHKFURROM-OALUTQOASA-N 1 0 398.576 4.204 20 0 GIADRO CSc1cc(C[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)ccn1 ZINC000459464419 823197550 /nfs/dbraw/zinc/19/75/50/823197550.db2.gz OVOXKHAHFAZTFJ-UHFFFAOYSA-N 1 0 379.533 4.467 20 0 GIADRO CC1(C)[C@H]([NH2+]Cc2cc(Br)cc(Br)c2)[C@@H]2CCO[C@@H]21 ZINC000571545950 823198811 /nfs/dbraw/zinc/19/88/11/823198811.db2.gz ZNJPQOYGYRECFR-MJBXVCDLSA-N 1 0 389.131 4.115 20 0 GIADRO CC(=O)Nc1ccc(CC[NH2+][C@@H](C)Cc2ccc(Br)cc2)cc1 ZINC000188181910 823199539 /nfs/dbraw/zinc/19/95/39/823199539.db2.gz VDSMZMPSNQNOQY-AWEZNQCLSA-N 1 0 375.310 4.171 20 0 GIADRO O=C(c1ccncc1)N1CCC([NH2+][C@@H]2CCC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000459474129 823199838 /nfs/dbraw/zinc/19/98/38/823199838.db2.gz YOMNFQKHKNFKGO-LEWJYISDSA-N 1 0 383.923 4.266 20 0 GIADRO O=C(c1ccncc1)N1CCC([NH2+][C@@H]2CCC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000459474132 823199873 /nfs/dbraw/zinc/19/98/73/823199873.db2.gz YOMNFQKHKNFKGO-NHCUHLMSSA-N 1 0 383.923 4.266 20 0 GIADRO CC(C)c1cc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc(=O)[nH]1 ZINC000121534821 823201327 /nfs/dbraw/zinc/20/13/27/823201327.db2.gz ADVRDLCQKITDOY-FXAWDEMLSA-N 1 0 381.520 4.036 20 0 GIADRO CCO[C@@H]1C[C@@H]([NH2+][C@H](c2nnc3ccccn32)C(C)C)[C@H]1Sc1ccccc1 ZINC000459475305 823200061 /nfs/dbraw/zinc/20/00/61/823200061.db2.gz ZQQXIBSGDHXZPT-RMVXJAJNSA-N 1 0 396.560 4.354 20 0 GIADRO CSc1ccc([C@H](CNC(=O)c2cc3ccccc3nc2C)[NH+](C)C)cc1 ZINC000571557944 823200062 /nfs/dbraw/zinc/20/00/62/823200062.db2.gz FMTZHXZTFACNNE-NRFANRHFSA-N 1 0 379.529 4.298 20 0 GIADRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](c2nnc3ccccn32)C(C)C)[C@H]1Sc1ccccc1 ZINC000459475311 823200111 /nfs/dbraw/zinc/20/01/11/823200111.db2.gz ZQQXIBSGDHXZPT-VURPSTOHSA-N 1 0 396.560 4.354 20 0 GIADRO CCOc1cc(C[NH2+][C@H]2CCO[C@@H](CC(C)C)C2)cc(Br)c1O ZINC000459476373 823200540 /nfs/dbraw/zinc/20/05/40/823200540.db2.gz XVYYNUXZDDKQML-GJZGRUSLSA-N 1 0 386.330 4.237 20 0 GIADRO CC[N@H+]1C[C@@H](C)N(CC(=O)Nc2ccccc2Oc2ccc(C)cc2)[C@@H](C)C1 ZINC000459476862 823200586 /nfs/dbraw/zinc/20/05/86/823200586.db2.gz LXTLXDOIWKOCDY-KDURUIRLSA-N 1 0 381.520 4.140 20 0 GIADRO Cc1cc(C)c(Br)c(C(=O)NC[C@H](c2cccs2)[NH+](C)C)c1 ZINC000121530149 823200708 /nfs/dbraw/zinc/20/07/08/823200708.db2.gz LQUWZINWHNDXNT-CQSZACIVSA-N 1 0 381.339 4.160 20 0 GIADRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccco1)c1cccc(OC(F)(F)F)c1 ZINC000176405902 823201488 /nfs/dbraw/zinc/20/14/88/823201488.db2.gz MVVHQOPHYNDHLR-CQSZACIVSA-N 1 0 399.413 4.013 20 0 GIADRO Cc1nc(-c2cccc(NC(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)c2)oc1C ZINC000056730619 823201884 /nfs/dbraw/zinc/20/18/84/823201884.db2.gz VHUSFGJKTUTWGN-NRFANRHFSA-N 1 0 390.487 4.354 20 0 GIADRO C[NH+](C)CCN(Cc1cccs1)C(=O)N[C@@H]1CCSc2c(F)cccc21 ZINC000176408498 823201953 /nfs/dbraw/zinc/20/19/53/823201953.db2.gz QHPUXTMGULBEDS-QGZVFWFLSA-N 1 0 393.553 4.198 20 0 GIADRO Oc1cccc(C[NH2+]C[C@H]2CCCO[C@@H]2c2ccccc2)c1Br ZINC000459483156 823202110 /nfs/dbraw/zinc/20/21/10/823202110.db2.gz YNHKYJOKYJLFNJ-VQIMIIECSA-N 1 0 376.294 4.412 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(C(C)C)nn2-c2ccccc2)[C@H](C)C1 ZINC000571573005 823202483 /nfs/dbraw/zinc/20/24/83/823202483.db2.gz JWUCQVOKETULGA-YLJYHZDGSA-N 1 0 383.540 4.190 20 0 GIADRO C[C@H]1C[C@@H](CCNC(=O)c2ccoc2C(F)(F)F)C[N@@H+]1Cc1ccccc1 ZINC000571575363 823202622 /nfs/dbraw/zinc/20/26/22/823202622.db2.gz GJVRIVSIIUCZDG-GOEBONIOSA-N 1 0 380.410 4.329 20 0 GIADRO Oc1cccc(C[NH2+][C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1Br ZINC000459487953 823202990 /nfs/dbraw/zinc/20/29/90/823202990.db2.gz RFLAPDCKPWOTRO-DOTOQJQBSA-N 1 0 380.257 4.304 20 0 GIADRO CC[NH+]1C[C@H](C)N(CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000459490689 823203337 /nfs/dbraw/zinc/20/33/37/823203337.db2.gz YMRNSJRYLUVAIE-DOXZYTNZSA-N 1 0 398.378 4.071 20 0 GIADRO CCc1c(NC(=O)N(CC[NH+](C)C)Cc2ccsc2)cnn1CCC(C)C ZINC000459505504 823206579 /nfs/dbraw/zinc/20/65/79/823206579.db2.gz FJMGCLIPQBFZTN-UHFFFAOYSA-N 1 0 391.585 4.149 20 0 GIADRO C[N@H+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)C1c2ccccc2-c2ccccc21 ZINC000176434418 823206664 /nfs/dbraw/zinc/20/66/64/823206664.db2.gz USDNZUFCBMFGIH-HNNXBMFYSA-N 1 0 388.433 4.489 20 0 GIADRO C[C@H](Nc1cccc(CC[N@H+](C)C2CC2)c1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000571589469 823204340 /nfs/dbraw/zinc/20/43/40/823204340.db2.gz JANPMKGLCBSILX-ROUUACIJSA-N 1 0 377.532 4.102 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)C2(c3cccnc3)CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000571598402 823205404 /nfs/dbraw/zinc/20/54/04/823205404.db2.gz VEKDMZWCJAZWBB-DENIHFKCSA-N 1 0 377.532 4.063 20 0 GIADRO C[NH+](C)[C@H]1CCOc2c(NCc3cccc(O)c3Br)cccc21 ZINC000459507264 823206815 /nfs/dbraw/zinc/20/68/15/823206815.db2.gz QUEVEBANBBRSRI-HNNXBMFYSA-N 1 0 377.282 4.152 20 0 GIADRO CCOc1cc(C[NH2+]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)cc(Cl)c1O ZINC000459503751 823205992 /nfs/dbraw/zinc/20/59/92/823205992.db2.gz FSQPFNMGNQUFKU-BLLLJJGKSA-N 1 0 381.822 4.018 20 0 GIADRO Fc1cc(Br)cc([C@H]([NH2+]Cc2cnc(C3CC3)nc2)C2CC2)c1 ZINC000459503448 823206017 /nfs/dbraw/zinc/20/60/17/823206017.db2.gz PXZPMWDBDLMWJV-QGZVFWFLSA-N 1 0 376.273 4.497 20 0 GIADRO COc1ccc(-c2noc([C@H](C)[N@@H+]3CC[C@@]4(C3)CCc3ccccc3O4)n2)cc1 ZINC000571604797 823207052 /nfs/dbraw/zinc/20/70/52/823207052.db2.gz ZXFQRIDLJXXQBG-QMHKHESXSA-N 1 0 391.471 4.276 20 0 GIADRO O=C(c1ccccc1)N1CC[C@H](C[NH2+][C@@H](c2ccccc2)C2(CO)CCCC2)C1 ZINC000459527219 823212022 /nfs/dbraw/zinc/21/20/22/823212022.db2.gz BJLHWGFIYPIFJG-OFNKIYASSA-N 1 0 392.543 4.032 20 0 GIADRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)Nc1cccc(-c2nccs2)c1 ZINC000056777788 823212072 /nfs/dbraw/zinc/21/20/72/823212072.db2.gz XXLKHAKNCNYDOA-UHFFFAOYSA-N 1 0 392.528 4.380 20 0 GIADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C/C=C/c1ccc(OCc2ccccc2)cc1 ZINC000459509725 823207755 /nfs/dbraw/zinc/20/77/55/823207755.db2.gz LFYRSUXXHGMVCD-TYOLEZHBSA-N 1 0 394.559 4.056 20 0 GIADRO CC[C@@H](C)[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1)C(F)(F)F ZINC000571609872 823208471 /nfs/dbraw/zinc/20/84/71/823208471.db2.gz DLUQJXVWYHVZAP-MLGOLLRUSA-N 1 0 395.416 4.015 20 0 GIADRO Cc1ccc(C)c(NC(=O)[C@@H](C)[NH+]2CCC3(CC2)OCCc2ccccc23)c1 ZINC000459528034 823212212 /nfs/dbraw/zinc/21/22/12/823212212.db2.gz QVRNEFIESBSUDL-LJQANCHMSA-N 1 0 378.516 4.194 20 0 GIADRO Cc1cn(-c2c(F)cccc2F)nc1C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000188251686 823209385 /nfs/dbraw/zinc/20/93/85/823209385.db2.gz VWAWUIDKRDYSAZ-UHFFFAOYSA-N 1 0 384.430 4.081 20 0 GIADRO CCc1cccc(C)c1NC(=O)C[NH2+][C@@H](c1ccccc1)C1(CO)CCCC1 ZINC000459520660 823210045 /nfs/dbraw/zinc/21/00/45/823210045.db2.gz DRIAHUPPAWJDDA-QHCPKHFHSA-N 1 0 380.532 4.380 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1cccc(-c2nccs2)c1)Cc1ccccc1 ZINC000056778432 823212401 /nfs/dbraw/zinc/21/24/01/823212401.db2.gz TZORFCAMNQDXFK-IBGZPJMESA-N 1 0 380.517 4.105 20 0 GIADRO Fc1ccc(-n2ccc(C[NH+]3CCC4(CC3)OCCc3ccccc34)n2)c(F)c1 ZINC000459521779 823210447 /nfs/dbraw/zinc/21/04/47/823210447.db2.gz LRTDHKWMEHDLOG-UHFFFAOYSA-N 1 0 395.453 4.215 20 0 GIADRO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000188260812 823210633 /nfs/dbraw/zinc/21/06/33/823210633.db2.gz JONISCIDUMCZRF-NRFANRHFSA-N 1 0 375.463 4.158 20 0 GIADRO COCCc1ccc(OC[C@@H](O)C[N@H+](C)[C@H](C)c2cc3ccccc3o2)cc1 ZINC000571623514 823210931 /nfs/dbraw/zinc/21/09/31/823210931.db2.gz BKYZZFINPNIGCJ-XLIONFOSSA-N 1 0 383.488 4.054 20 0 GIADRO Cc1c(NC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])cccc1C(=O)Nc1ccccc1 ZINC000571634953 823212657 /nfs/dbraw/zinc/21/26/57/823212657.db2.gz WDMAJSNIBBXPCO-WOJBJXKFSA-N 1 0 379.504 4.484 20 0 GIADRO CSc1cccc(NC(=O)[C@@H](C)[NH+]2CCC3(CC2)OCCc2ccccc23)c1 ZINC000459525607 823211523 /nfs/dbraw/zinc/21/15/23/823211523.db2.gz ODCVFHXKISDYMB-QGZVFWFLSA-N 1 0 396.556 4.300 20 0 GIADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)Nc1cccc(-c2nccs2)c1 ZINC000056776398 823211582 /nfs/dbraw/zinc/21/15/82/823211582.db2.gz GAOQKHSGWIYTBV-IBGZPJMESA-N 1 0 380.517 4.105 20 0 GIADRO Brc1ccc(C2(C[NH2+]Cc3cnc(C4CC4)nc3)CCC2)s1 ZINC000459549014 823217824 /nfs/dbraw/zinc/21/78/24/823217824.db2.gz ZZPABGPLEZBDBU-UHFFFAOYSA-N 1 0 378.339 4.390 20 0 GIADRO CCc1ccc([C@H](CNC(=O)Nc2ccc(-c3csnn3)cc2)[NH+](C)C)cc1 ZINC000056786677 823213091 /nfs/dbraw/zinc/21/30/91/823213091.db2.gz UYNWNBHAPYWSLZ-FQEVSTJZSA-N 1 0 395.532 4.192 20 0 GIADRO Cc1cccc(C(=O)NC2CC[NH+](Cc3ccsc3)CC2)c1Br ZINC000121597696 823213529 /nfs/dbraw/zinc/21/35/29/823213529.db2.gz OUWNIGFYSJNDEC-UHFFFAOYSA-N 1 0 393.350 4.213 20 0 GIADRO CC[NH+](CC)CCN(CC(C)C)C(=O)Nc1ccc(-c2csnn2)cc1 ZINC000056787824 823213662 /nfs/dbraw/zinc/21/36/62/823213662.db2.gz HCBWSGUGOYRYDX-UHFFFAOYSA-N 1 0 375.542 4.037 20 0 GIADRO CCOc1ccccc1Oc1ccccc1C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000176467590 823213970 /nfs/dbraw/zinc/21/39/70/823213970.db2.gz LQIDZUNDOJXAOD-MSOLQXFVSA-N 1 0 382.504 4.432 20 0 GIADRO CO[C@@H](C)c1nc(C)c(C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)s1 ZINC000176466754 823213992 /nfs/dbraw/zinc/21/39/92/823213992.db2.gz BMQPEYZEYUCEIY-HIFRSBDPSA-N 1 0 375.538 4.018 20 0 GIADRO FC(F)(F)c1cccc([C@@H]([NH2+]C2CCN(C3CC3)CC2)C2CCOCC2)c1 ZINC000459534281 823213986 /nfs/dbraw/zinc/21/39/86/823213986.db2.gz YZDDFHDXOQOXSP-FQEVSTJZSA-N 1 0 382.470 4.390 20 0 GIADRO C[C@H]([NH2+]C1CCN(Cc2coc(-c3ccccc3)n2)CC1)c1cccc(CO)c1 ZINC000121601695 823214436 /nfs/dbraw/zinc/21/44/36/823214436.db2.gz BNAYFTKLAIYUNR-SFHVURJKSA-N 1 0 391.515 4.149 20 0 GIADRO CCO[C@@H]1C[C@@H]([NH2+]CCc2nn(C)c3ccccc23)[C@H]1Sc1ccccc1 ZINC000459536998 823214790 /nfs/dbraw/zinc/21/47/90/823214790.db2.gz QZZHZFMAPGQWNO-CEMLEFRQSA-N 1 0 381.545 4.044 20 0 GIADRO O=C(N[C@@H]1CCCOc2c(Cl)cccc21)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000571657639 823215138 /nfs/dbraw/zinc/21/51/38/823215138.db2.gz GSABHRNFTKUKSX-LZQZEXGQSA-N 1 0 391.943 4.117 20 0 GIADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)Nc2ccc(-c3nncs3)cc2)C1 ZINC000459538727 823215265 /nfs/dbraw/zinc/21/52/65/823215265.db2.gz DWOHOWICZOUYAQ-HZPDHXFCSA-N 1 0 387.553 4.085 20 0 GIADRO OCC1([C@@H]([NH2+]Cc2ccc(OCC(F)(F)F)nc2)c2ccccc2)CCCC1 ZINC000459539581 823215744 /nfs/dbraw/zinc/21/57/44/823215744.db2.gz WGVGTEVYZDVDBS-IBGZPJMESA-N 1 0 394.437 4.406 20 0 GIADRO O=C1CC[C@H]([NH2+]C/C=C/c2ccc(OCc3ccccc3)cc2)C2(CCC2)N1 ZINC000459542739 823216276 /nfs/dbraw/zinc/21/62/76/823216276.db2.gz LWSSBULVFCCTBR-OIHWHRODSA-N 1 0 376.500 4.070 20 0 GIADRO O=C(CN(CC[NH+]1CCCCCC1)C1CCC1)Nc1ccccc1C(F)(F)F ZINC000571668601 823216661 /nfs/dbraw/zinc/21/66/61/823216661.db2.gz RKSLEJSIPZSDKY-UHFFFAOYSA-N 1 0 397.485 4.374 20 0 GIADRO O=C(CC[NH2+][C@@H]1CCO[C@H](c2ccc(F)cc2)C1)Nc1cccc(Cl)c1 ZINC000571671563 823217065 /nfs/dbraw/zinc/21/70/65/823217065.db2.gz ATFLUFMYSYBNEE-MJGOQNOKSA-N 1 0 376.859 4.318 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1C[N@@H+]1CCC[C@](CO)(c2ccccc2)C1 ZINC000459546497 823217217 /nfs/dbraw/zinc/21/72/17/823217217.db2.gz QXFMEOJKNYTPOH-QFIPXVFZSA-N 1 0 381.545 4.108 20 0 GIADRO O=C(Nc1ccc(-c2nncs2)cc1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000459547814 823217517 /nfs/dbraw/zinc/21/75/17/823217517.db2.gz WZVDIZFQGBLXOF-UHFFFAOYSA-N 1 0 399.564 4.325 20 0 GIADRO CC[C@@H](CC1CCCC1)C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000571679378 823217779 /nfs/dbraw/zinc/21/77/79/823217779.db2.gz GQXVEYNYPCGWGC-SFHVURJKSA-N 1 0 386.584 4.189 20 0 GIADRO CN(C(=O)NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000176493354 823220488 /nfs/dbraw/zinc/22/04/88/823220488.db2.gz GPQFVOSBBCUFBQ-HSZRJFAPSA-N 1 0 398.595 4.094 20 0 GIADRO COc1ccc(-c2ccccc2C)cc1C[NH2+][C@@H]1CCO[C@@H](c2ccnn2C)C1 ZINC000459563654 823221169 /nfs/dbraw/zinc/22/11/69/823221169.db2.gz DQZQPMZJVFUHEU-HYBUGGRVSA-N 1 0 391.515 4.414 20 0 GIADRO COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000188346979 823223101 /nfs/dbraw/zinc/22/31/01/823223101.db2.gz XRIRBAJLAMJYRH-PZJWPPBQSA-N 1 0 380.488 4.042 20 0 GIADRO Cc1ccc2c(c1)CC[C@@H]2NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000056843997 823222641 /nfs/dbraw/zinc/22/26/41/823222641.db2.gz QHQJBZOSKDLQDR-QFIPXVFZSA-N 1 0 381.495 4.085 20 0 GIADRO C[C@@](CO)(C[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1)c1ccccc1 ZINC000459570239 823222759 /nfs/dbraw/zinc/22/27/59/823222759.db2.gz ZJIWXZUWODDOML-DEOSSOPVSA-N 1 0 390.531 4.100 20 0 GIADRO CN(Cc1ccc(OC(F)F)cc1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176487830 823219292 /nfs/dbraw/zinc/21/92/92/823219292.db2.gz VAEXYOWQAQBQQC-UHFFFAOYSA-N 1 0 395.494 4.227 20 0 GIADRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cccc(OCc4ccccc4)c3)[C@H]2C1 ZINC000571717639 823223668 /nfs/dbraw/zinc/22/36/68/823223668.db2.gz FHGJWTWTXCNEEP-XWGVYQGASA-N 1 0 378.516 4.002 20 0 GIADRO CC(C)Oc1ccc([C@@H](C)NC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC000056849174 823223701 /nfs/dbraw/zinc/22/37/01/823223701.db2.gz XFPQROYFOPPDKE-GOSISDBHSA-N 1 0 375.557 4.297 20 0 GIADRO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000459575968 823223834 /nfs/dbraw/zinc/22/38/34/823223834.db2.gz CYODXAAINUXXJF-UHFFFAOYSA-N 1 0 376.504 4.331 20 0 GIADRO CC1(C)Cc2ccsc2C[N@@H+]1CC(=O)N1CCC(OCc2ccccc2)CC1 ZINC000459578675 823224091 /nfs/dbraw/zinc/22/40/91/823224091.db2.gz IRDCXCNNHFJOPJ-UHFFFAOYSA-N 1 0 398.572 4.093 20 0 GIADRO COc1cc(C)c(NC(=O)N(CC[NH+](C)C)Cc2ccsc2)c(C)c1C ZINC000459579511 823224147 /nfs/dbraw/zinc/22/41/47/823224147.db2.gz YRSSEFUNQWOORX-UHFFFAOYSA-N 1 0 375.538 4.278 20 0 GIADRO C[C@@H](NC(=O)NCc1ccc(C[NH+](C)C)cc1)c1ccccc1C(F)(F)F ZINC000056853232 823224120 /nfs/dbraw/zinc/22/41/20/823224120.db2.gz YBQSGPYESRFGOJ-CQSZACIVSA-N 1 0 379.426 4.327 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1C[NH2+][C@@H]1C[C@H](OC(C)(C)C)[C@H]1n1cccn1 ZINC000459577475 823224211 /nfs/dbraw/zinc/22/42/11/823224211.db2.gz WHHTVYNKDQQJLA-MNEFBYGVSA-N 1 0 399.564 4.065 20 0 GIADRO O[C@@H]1C[C@H]([C@H]2CCCOC2)[N@H+](C/C=C/c2ccc(OCc3ccccc3)cc2)C1 ZINC000459576856 823224224 /nfs/dbraw/zinc/22/42/24/823224224.db2.gz LIIZQBZFLVDICH-BZKUKECFSA-N 1 0 393.527 4.141 20 0 GIADRO O=C(N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)C1(C(F)F)CCCC1 ZINC000571718982 823224222 /nfs/dbraw/zinc/22/42/22/823224222.db2.gz NDRIELYHVNDOEJ-RBUKOAKNSA-N 1 0 376.491 4.325 20 0 GIADRO Cc1noc(C2C[NH+](Cc3cn(-c4ccccc4)nc3-c3ccc(C)cc3C)C2)n1 ZINC000459603100 823228159 /nfs/dbraw/zinc/22/81/59/823228159.db2.gz HEIHGZQETVZIQA-UHFFFAOYSA-N 1 0 399.498 4.447 20 0 GIADRO C[C@@H](NC(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1)c1cc2ccccc2o1 ZINC000188359063 823225614 /nfs/dbraw/zinc/22/56/14/823225614.db2.gz HGGRFOOALZMLLC-OKZBNKHCSA-N 1 0 399.535 4.025 20 0 GIADRO CCSc1cccc(Br)c1NC(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC000571724887 823225612 /nfs/dbraw/zinc/22/56/12/823225612.db2.gz RKYXFBMFIDELQA-RYUDHWBXSA-N 1 0 386.359 4.117 20 0 GIADRO O=c1ccc2c([nH]1)CCC[C@H]2[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000409463715 823225750 /nfs/dbraw/zinc/22/57/50/823225750.db2.gz FXXJATAAPIWBGB-OAQYLSRUSA-N 1 0 397.482 4.202 20 0 GIADRO C[N@@H+](Cc1cn(C2CCCC2)nc1-c1ccccn1)C[C@H](O)Cc1ccccc1 ZINC000459594328 823226792 /nfs/dbraw/zinc/22/67/92/823226792.db2.gz RTBBWIPETJSSQX-JOCHJYFZSA-N 1 0 390.531 4.096 20 0 GIADRO CCOc1cc(C[NH+]2CC(CCO)C2)ccc1OCc1c(F)cccc1Cl ZINC000459592832 823226803 /nfs/dbraw/zinc/22/68/03/823226803.db2.gz OENBQCLDQCKZCZ-UHFFFAOYSA-N 1 0 393.886 4.271 20 0 GIADRO Cc1cc2cc(NC(=O)C(=O)Nc3cccc(C[NH+]4CCCCC4)c3)ccc2[nH]1 ZINC000121672765 823227321 /nfs/dbraw/zinc/22/73/21/823227321.db2.gz UPMKFPXTEVAQJD-UHFFFAOYSA-N 1 0 390.487 4.039 20 0 GIADRO CCOc1ccc(Cl)c(NC(=O)N(CC[NH+](C)C)Cc2ccsc2)c1 ZINC000459602044 823227823 /nfs/dbraw/zinc/22/78/23/823227823.db2.gz DLBJOTKXCVSENX-UHFFFAOYSA-N 1 0 381.929 4.396 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)C[NH2+][C@@]2(C)CCCC[C@H]2C)c(C(F)(F)F)c1 ZINC000459605712 823228792 /nfs/dbraw/zinc/22/87/92/823228792.db2.gz DNJDPQBVFMXBKQ-XIKOKIGWSA-N 1 0 385.430 4.161 20 0 GIADRO Cc1nccnc1[C@H](C)[NH2+][C@H]1CCN(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000188375930 823229210 /nfs/dbraw/zinc/22/92/10/823229210.db2.gz IYYGCLFOEVRXTL-ADLFWFRXSA-N 1 0 376.907 4.452 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCCCC2=O)cc1 ZINC000188376271 823229292 /nfs/dbraw/zinc/22/92/92/823229292.db2.gz KBSYEIJALWWXCU-QHCPKHFHSA-N 1 0 393.531 4.221 20 0 GIADRO O=C(CCc1nnc(C2CCCC2)o1)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000121698423 823232775 /nfs/dbraw/zinc/23/27/75/823232775.db2.gz JNDDRCPTVUWIDK-UHFFFAOYSA-N 1 0 382.508 4.284 20 0 GIADRO Cc1cc(NC(=O)c2ccsc2C)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000571749708 823229660 /nfs/dbraw/zinc/22/96/60/823229660.db2.gz TWCBUSIRMSSQGI-GOSISDBHSA-N 1 0 380.517 4.261 20 0 GIADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C2(Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000188378564 823229804 /nfs/dbraw/zinc/22/98/04/823229804.db2.gz YKTVDWVYMISVLS-QGZVFWFLSA-N 1 0 382.470 4.122 20 0 GIADRO C[NH+](C)Cc1ccccc1CNC(=O)C(C)(C)c1ccccc1Br ZINC000409478254 823230299 /nfs/dbraw/zinc/23/02/99/823230299.db2.gz DKZVRRDQINIELY-UHFFFAOYSA-N 1 0 389.337 4.105 20 0 GIADRO CCc1nnc(-c2ccc(NC(=O)[C@H]3CCCC[N@@H+]3Cc3ccccc3)cc2)o1 ZINC000176532079 823230603 /nfs/dbraw/zinc/23/06/03/823230603.db2.gz SPKGLKMNNWFBNK-HXUWFJFHSA-N 1 0 390.487 4.292 20 0 GIADRO C[C@]1([NH3+])CCCC[C@@H]1C(=O)Nc1cccc(C[S@](=O)C2CCCCC2)c1 ZINC000571759582 823231234 /nfs/dbraw/zinc/23/12/34/823231234.db2.gz YOFZEYKKNXGZSY-DYRZZGSRSA-N 1 0 376.566 4.114 20 0 GIADRO C[C@]1([NH3+])CCCC[C@H]1C(=O)Nc1cccc(C[S@@](=O)C2CCCCC2)c1 ZINC000571759583 823231501 /nfs/dbraw/zinc/23/15/01/823231501.db2.gz YOFZEYKKNXGZSY-HEKZAOSPSA-N 1 0 376.566 4.114 20 0 GIADRO CC[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(Oc3ccccc3)c(F)c2)CC1 ZINC000056932105 823232112 /nfs/dbraw/zinc/23/21/12/823232112.db2.gz OIBQKAMMAOJPDP-MRXNPFEDSA-N 1 0 385.483 4.463 20 0 GIADRO CCN(C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)[C@H](C)c1cccc(OC)c1 ZINC000056935856 823232549 /nfs/dbraw/zinc/23/25/49/823232549.db2.gz LNHMOKYJSAEIBZ-IIBYNOLFSA-N 1 0 387.499 4.230 20 0 GIADRO C[C@@H](c1nc2ccccc2s1)N(C)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000571744405 823228563 /nfs/dbraw/zinc/22/85/63/823228563.db2.gz FZOQJKIKMIRUJC-ZDUSSCGKSA-N 1 0 382.489 4.003 20 0 GIADRO COc1ccc(-c2ccc(CNC(=O)N(C)[C@H]3CC[N@H+](C)[C@H](C)C3)s2)cc1 ZINC000176522907 823228670 /nfs/dbraw/zinc/22/86/70/823228670.db2.gz UPSGAECPDPABAJ-WBVHZDCISA-N 1 0 387.549 4.048 20 0 GIADRO Cc1cnc([C@@H](C)NC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)s1 ZINC000176542449 823233309 /nfs/dbraw/zinc/23/33/09/823233309.db2.gz GGQDVMBQCFQBFI-QGZVFWFLSA-N 1 0 386.565 4.066 20 0 GIADRO COCCC1(C)C[NH+](Cc2ccc(OCc3cn4cccc(C)c4n3)cc2)C1 ZINC000459632454 823233391 /nfs/dbraw/zinc/23/33/91/823233391.db2.gz NFPUVDXBDSCFFQ-UHFFFAOYSA-N 1 0 379.504 4.080 20 0 GIADRO COC[C@H]([NH2+]C[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000571782157 823233649 /nfs/dbraw/zinc/23/36/49/823233649.db2.gz SKPIPOLENNYJKG-DZFGPLHGSA-N 1 0 376.903 4.449 20 0 GIADRO Fc1ccc(-n2nccc2C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)cc1 ZINC000459646085 823237365 /nfs/dbraw/zinc/23/73/65/823237365.db2.gz HWKVEKLMLWLDDL-SFHVURJKSA-N 1 0 397.416 4.192 20 0 GIADRO CC(C)[C@@H]1CN(C(=O)Nc2ccc(SCC[NH+]3CCCCC3)cc2)CCO1 ZINC000571796021 823235504 /nfs/dbraw/zinc/23/55/04/823235504.db2.gz BXPTUTSLYMQRBT-FQEVSTJZSA-N 1 0 391.581 4.153 20 0 GIADRO C[C@@H](OC[C@H](O)C[NH2+][C@@H](C)c1nc2c(s1)CCC2)c1ccc(Cl)cc1 ZINC000459640023 823235598 /nfs/dbraw/zinc/23/55/98/823235598.db2.gz WVRNAMVGZQDTQT-WOSRLPQWSA-N 1 0 380.941 4.075 20 0 GIADRO C[C@H]([NH2+]CCc1ccnn1C)c1ccc(Br)cc1C(F)(F)F ZINC000188409131 823235825 /nfs/dbraw/zinc/23/58/25/823235825.db2.gz MNFWWPMQQVARND-JTQLQIEISA-N 1 0 376.220 4.095 20 0 GIADRO CC(C)(Cc1cccc(Cl)c1)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000176557619 823236547 /nfs/dbraw/zinc/23/65/47/823236547.db2.gz AFUZDGRCBTZFCG-UHFFFAOYSA-N 1 0 385.939 4.085 20 0 GIADRO CC(=O)Nc1ccc(Cl)c(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000121716116 823236527 /nfs/dbraw/zinc/23/65/27/823236527.db2.gz YEWIWOROBLSAQG-QGZVFWFLSA-N 1 0 391.943 4.027 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H](C)c1nc2c(s1)CCC2 ZINC000459644607 823236679 /nfs/dbraw/zinc/23/66/79/823236679.db2.gz FHMPZKMIIUZAIW-NWDGAFQWSA-N 1 0 393.940 4.362 20 0 GIADRO C[C@H](CCCc1cccnc1)[NH2+]CC(=O)N(Cc1ccco1)c1ccccc1 ZINC000459649958 823238828 /nfs/dbraw/zinc/23/88/28/823238828.db2.gz WPMCVGHNIOBXIS-LJQANCHMSA-N 1 0 377.488 4.209 20 0 GIADRO O=C(CCCc1csc2ccccc12)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000176568873 823238938 /nfs/dbraw/zinc/23/89/38/823238938.db2.gz AZUWCBZNVYIFCR-UHFFFAOYSA-N 1 0 393.556 4.400 20 0 GIADRO COc1ccc(NC(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)cc1SC ZINC000459650521 823239223 /nfs/dbraw/zinc/23/92/23/823239223.db2.gz MQNFDFVPCDIOPX-MRXNPFEDSA-N 1 0 389.521 4.277 20 0 GIADRO C[C@H](CCCc1cccnc1)[NH2+][C@@H](C)C(=O)Nc1ccccc1OC(F)F ZINC000459650599 823239374 /nfs/dbraw/zinc/23/93/74/823239374.db2.gz YGFUGBHETPFHIT-CABCVRRESA-N 1 0 377.435 4.011 20 0 GIADRO C[C@H](CCCc1cccnc1)[NH2+]CC(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000459651562 823239576 /nfs/dbraw/zinc/23/95/76/823239576.db2.gz ZJWMKORIVZCEQY-OAHLLOKOSA-N 1 0 398.507 4.284 20 0 GIADRO CCOc1ccc(OCC[NH2+][C@H](c2cncc(Br)c2)C2CC2)cc1 ZINC000571826344 823240344 /nfs/dbraw/zinc/24/03/44/823240344.db2.gz NTNDJQNBILRXCS-IBGZPJMESA-N 1 0 391.309 4.363 20 0 GIADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H]2C[C@H]2CC(C)C)CC1 ZINC000459654572 823240774 /nfs/dbraw/zinc/24/07/74/823240774.db2.gz GMFNUTPVMZATQX-DNVCBOLYSA-N 1 0 393.369 4.386 20 0 GIADRO C[NH+](C)CCOc1ccc(-c2noc([C@H]3C[C@H]3c3ccc(F)cc3F)n2)cc1 ZINC000571838270 823242691 /nfs/dbraw/zinc/24/26/91/823242691.db2.gz HXGGECVVHHXPKP-ROUUACIJSA-N 1 0 385.414 4.226 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)c2cnc(Cl)c(Cl)c2)CC[N@@H+]1Cc1ccccc1 ZINC000176582591 823241658 /nfs/dbraw/zinc/24/16/58/823241658.db2.gz GBZZBEYZKUEQHY-CJNGLKHVSA-N 1 0 378.303 4.171 20 0 GIADRO C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+][C@@H]1C[C@H]1c1ccccc1F ZINC000459659197 823242760 /nfs/dbraw/zinc/24/27/60/823242760.db2.gz QXADWVRZRUVAOV-ONTRVFCTSA-N 1 0 395.478 4.037 20 0 GIADRO O=C(N[C@@H](C1CC1)C(F)(F)F)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000571835585 823242316 /nfs/dbraw/zinc/24/23/16/823242316.db2.gz BCFRJUJXIRDKFQ-AZUAARDMSA-N 1 0 395.469 4.025 20 0 GIADRO COc1ccc(CCCCC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000057047043 823243288 /nfs/dbraw/zinc/24/32/88/823243288.db2.gz LCLXFLAOFUJLBR-UHFFFAOYSA-N 1 0 398.522 4.328 20 0 GIADRO Cc1noc(-c2ccc(C)c(NC(=O)NC[C@@H]3CCC[N@@H+]3C3CCCCC3)c2)n1 ZINC000571842548 823243621 /nfs/dbraw/zinc/24/36/21/823243621.db2.gz MJKJORKVMJCOKD-IBGZPJMESA-N 1 0 397.523 4.272 20 0 GIADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(-c3ccccn3)cc2)[C@H](C)C1 ZINC000571844178 823244091 /nfs/dbraw/zinc/24/40/91/823244091.db2.gz DZINQDHYDXEWHB-NQIIRXRSSA-N 1 0 396.535 4.007 20 0 GIADRO O=c1[nH]c2ccccc2cc1C[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459663213 823244659 /nfs/dbraw/zinc/24/46/59/823244659.db2.gz OJHUJIWURJWKTE-QGZVFWFLSA-N 1 0 380.410 4.121 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cnn(-c3ccccc3Cl)c2C(C)C)C1 ZINC000188465632 823244776 /nfs/dbraw/zinc/24/47/76/823244776.db2.gz WKXXSEMWUZNIAB-INIZCTEOSA-N 1 0 388.943 4.063 20 0 GIADRO C[C@@H](NC(=O)N1CCC[C@H]1C[NH+]1CCCC1)c1ccc(-c2cccnc2)cc1 ZINC000176607580 823247614 /nfs/dbraw/zinc/24/76/14/823247614.db2.gz MLEJJKTUCDPMOL-GCJKJVERSA-N 1 0 378.520 4.079 20 0 GIADRO CC[C@@H](C)Oc1cc(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)ccc1OC ZINC000121765479 823245964 /nfs/dbraw/zinc/24/59/64/823245964.db2.gz HQGNVZUMTMXGCO-MJGOQNOKSA-N 1 0 394.519 4.295 20 0 GIADRO C[NH+](C)[C@H](CN[C@H](c1ncc[nH]1)c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000188480137 823247720 /nfs/dbraw/zinc/24/77/20/823247720.db2.gz JPQGEZMVDMDEGS-MOPGFXCFSA-N 1 0 388.437 4.410 20 0 GIADRO CCC(=O)c1ccc(OCCCCC(=O)N(C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)cc1 ZINC000409544707 823246816 /nfs/dbraw/zinc/24/68/16/823246816.db2.gz TTZMLKJIGMFBLX-QUCCMNQESA-N 1 0 388.552 4.160 20 0 GIADRO CCCCn1nc(C)c(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)c1Cl ZINC000121768963 823246911 /nfs/dbraw/zinc/24/69/11/823246911.db2.gz OBVQDEUMRTXYFD-INIZCTEOSA-N 1 0 386.931 4.067 20 0 GIADRO CCCc1cc(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)ccc1Cl ZINC000409545482 823246937 /nfs/dbraw/zinc/24/69/37/823246937.db2.gz QCANYUFAOJRSGL-UHFFFAOYSA-N 1 0 378.944 4.057 20 0 GIADRO Fc1ccc(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)cc1C(F)(F)F ZINC000121776028 823247969 /nfs/dbraw/zinc/24/79/69/823247969.db2.gz PGFUCGUOHXQOTI-CQSZACIVSA-N 1 0 378.373 4.267 20 0 GIADRO CC(C)OCC[NH+]1CCC(NC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)CC1 ZINC000176610744 823248220 /nfs/dbraw/zinc/24/82/20/823248220.db2.gz YVYLNNIPCGFQRK-KRWDZBQOSA-N 1 0 387.524 4.025 20 0 GIADRO C[C@@H]([NH2+]C1CCC(O)(c2cccnc2)CC1)c1ccc(Br)cc1F ZINC000188481825 823248303 /nfs/dbraw/zinc/24/83/03/823248303.db2.gz PLAJMRWKUAYHJE-DAIYRKSASA-N 1 0 393.300 4.464 20 0 GIADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NCC[C@H]2CCc3ccccc32)CC1 ZINC000571873391 823248383 /nfs/dbraw/zinc/24/83/83/823248383.db2.gz WVEZUCKBBUYFDI-GHTZIAJQSA-N 1 0 392.547 4.026 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1cccc(N2CCOC2=O)c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000121779114 823248946 /nfs/dbraw/zinc/24/89/46/823248946.db2.gz JUGQOLPXKMXFOQ-HZPDHXFCSA-N 1 0 393.487 4.404 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)c(CC(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)s1 ZINC000571884371 823249587 /nfs/dbraw/zinc/24/95/87/823249587.db2.gz RDDGLMYORHZDFE-HXUWFJFHSA-N 1 0 391.540 4.143 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)C2(Cc3ccccc3F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000188494628 823250567 /nfs/dbraw/zinc/25/05/67/823250567.db2.gz WKCLDUPQLLJYTG-NQIIRXRSSA-N 1 0 380.507 4.318 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)Nc1ccc2c(c1)CCCN2 ZINC000571892669 823250629 /nfs/dbraw/zinc/25/06/29/823250629.db2.gz JDBSYXRBGFOVPB-UHFFFAOYSA-N 1 0 393.535 4.210 20 0 GIADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@@H](CC(F)(F)F)c2ccccc2)o1 ZINC000057129518 823252300 /nfs/dbraw/zinc/25/23/00/823252300.db2.gz WWQGGCBZAPLTSV-SFHVURJKSA-N 1 0 397.441 4.355 20 0 GIADRO COc1cccc2c1C[C@@H]([NH2+][C@H](C)CC(=O)Nc1ccccc1C(F)(F)F)C2 ZINC000459704083 823253789 /nfs/dbraw/zinc/25/37/89/823253789.db2.gz PJUWOWUCTJQEPG-HIFRSBDPSA-N 1 0 392.421 4.188 20 0 GIADRO CSc1cccc(F)c1C(=O)NC[C@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000409583970 823254727 /nfs/dbraw/zinc/25/47/27/823254727.db2.gz HZSOOCLEFZDHBP-LJQANCHMSA-N 1 0 386.536 4.360 20 0 GIADRO CCOc1cc(C[NH2+]C2CCC(C(F)F)CC2)cc(Br)c1O ZINC000459713226 823255507 /nfs/dbraw/zinc/25/55/07/823255507.db2.gz ODCKNUGXDAQSTO-UHFFFAOYSA-N 1 0 378.257 4.467 20 0 GIADRO C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC000188519752 823255529 /nfs/dbraw/zinc/25/55/29/823255529.db2.gz FBOYCNJEYRHHTB-AWEZNQCLSA-N 1 0 394.428 4.473 20 0 GIADRO O=C(Nc1nc(-c2ccccn2)cs1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000057152393 823255887 /nfs/dbraw/zinc/25/58/87/823255887.db2.gz IXLQDKCPCPVPEN-KRWDZBQOSA-N 1 0 378.501 4.056 20 0 GIADRO O=C1c2ccccc2C(=O)N1[C@H]1CCCC[C@@H]([NH2+]C2CCC(C(F)F)CC2)C1 ZINC000459718420 823256068 /nfs/dbraw/zinc/25/60/68/823256068.db2.gz UUMZTGGKSVJLRT-BACDZXNISA-N 1 0 390.474 4.397 20 0 GIADRO Cc1cc(C[NH2+][C@H]2c3sccc3OC(C)(C)[C@@H]2O)sc1Br ZINC000459720629 823256428 /nfs/dbraw/zinc/25/64/28/823256428.db2.gz YQQVEMAAPAAYQY-WCQYABFASA-N 1 0 388.352 4.243 20 0 GIADRO C[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccc(OC(F)F)cc1 ZINC000057154877 823256446 /nfs/dbraw/zinc/25/64/46/823256446.db2.gz IRUUNJBBGOODTE-MRXNPFEDSA-N 1 0 388.458 4.377 20 0 GIADRO O=C(CSc1ccc2ccccc2c1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000057166824 823257572 /nfs/dbraw/zinc/25/75/72/823257572.db2.gz ICLSHLUMEDEFEF-UHFFFAOYSA-N 1 0 391.540 4.108 20 0 GIADRO O=C(CCc1cscn1)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000176669167 823263010 /nfs/dbraw/zinc/26/30/10/823263010.db2.gz RVYWDNVDHYNCRX-UHFFFAOYSA-N 1 0 383.561 4.123 20 0 GIADRO CCc1nc([C@H](C)NC(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)cs1 ZINC000176654835 823258545 /nfs/dbraw/zinc/25/85/45/823258545.db2.gz LLFZDGVXWSDZIP-IRXDYDNUSA-N 1 0 386.565 4.073 20 0 GIADRO CCC[N@H+](CC)Cc1ccc(C(=O)NCC(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000409601629 823258960 /nfs/dbraw/zinc/25/89/60/823258960.db2.gz RBGXSUDMLPOQIV-UHFFFAOYSA-N 1 0 395.547 4.212 20 0 GIADRO CC(C)(C)[NH+]1CCC(NC(=O)C2(Cc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000188534963 823258977 /nfs/dbraw/zinc/25/89/77/823258977.db2.gz RAAJTAKJOOKGIU-UHFFFAOYSA-N 1 0 382.470 4.407 20 0 GIADRO CCOc1cc(C[NH2+][C@@H]2CCO[C@H]2CC)cc(Br)c1OC(F)F ZINC000459742447 823259061 /nfs/dbraw/zinc/25/90/61/823259061.db2.gz OMOKNSAKHBBDKE-OLZOCXBDSA-N 1 0 394.256 4.106 20 0 GIADRO COc1ccc([C@H](CO)C[NH2+]C/C(C)=C/c2ccccc2OC(F)F)cc1 ZINC000459742018 823259170 /nfs/dbraw/zinc/25/91/70/823259170.db2.gz KMNQRFNUAQFRIT-OTMARIDSSA-N 1 0 377.431 4.066 20 0 GIADRO COc1cc(CNc2ccc(C[NH+](C)C)c(C)c2)cc(Br)c1O ZINC000459745144 823259598 /nfs/dbraw/zinc/25/95/98/823259598.db2.gz SBCYYRWIXYFZGB-UHFFFAOYSA-N 1 0 379.298 4.145 20 0 GIADRO CCC[C@]1(CO)CC[N@H+](Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000571957767 823260247 /nfs/dbraw/zinc/26/02/47/823260247.db2.gz SPINIFZNEMCMCC-SFHVURJKSA-N 1 0 379.298 4.089 20 0 GIADRO COc1cc(CNc2ccc(C[NH+](C)C)c(C)c2)cc(OC)c1OCC(F)F ZINC000459749991 823260279 /nfs/dbraw/zinc/26/02/79/823260279.db2.gz HERJCLXDSXFPTE-UHFFFAOYSA-N 1 0 394.462 4.330 20 0 GIADRO CCOCCOc1ccccc1-c1nc(-c2ccc(F)c(C[NH+](C)C)c2)no1 ZINC000571958679 823260399 /nfs/dbraw/zinc/26/03/99/823260399.db2.gz ZKPLPDPBZDCYNH-UHFFFAOYSA-N 1 0 385.439 4.020 20 0 GIADRO Brc1cncc([C@@H]2OCC[C@H]2[NH2+]Cc2cnc(C3CCC3)s2)c1 ZINC000459750878 823260423 /nfs/dbraw/zinc/26/04/23/823260423.db2.gz ANUQSSSJKPROQW-CVEARBPZSA-N 1 0 394.338 4.188 20 0 GIADRO O=C(NC[C@@H](Cc1ccccc1)c1ccccc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000176661991 823260504 /nfs/dbraw/zinc/26/05/04/823260504.db2.gz LKUBFEFYERVRBN-ISKFKSNPSA-N 1 0 391.559 4.140 20 0 GIADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)Cc1cnc(-c2ccccc2)nc1 ZINC000571959616 823260589 /nfs/dbraw/zinc/26/05/89/823260589.db2.gz ANPJDTOWTYQVLN-QHCPKHFHSA-N 1 0 387.531 4.025 20 0 GIADRO C[N@H+](CCNC(=O)c1cc(-c2ccncc2)nc2ccccc21)Cc1ccccc1 ZINC000003044544 817414202 /nfs/dbraw/zinc/41/42/02/817414202.db2.gz FUWLPBLPQPQGMA-UHFFFAOYSA-N 1 0 396.494 4.159 20 0 GIADRO CCc1ccccc1N(C(C)=O)c1nc(CN[C@H]2C[C@H](OC)C23CCC3)cs1 ZINC000459761925 823261657 /nfs/dbraw/zinc/26/16/57/823261657.db2.gz NHQNANOAUZWCLQ-PMACEKPBSA-N 1 0 399.560 4.437 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCO[C@H]1c1cncc(Br)c1)[C@H](C)c1ccccc1 ZINC000459775309 823263404 /nfs/dbraw/zinc/26/34/04/823263404.db2.gz XFRFTBYYMWHBRC-RAKLQZGLSA-N 1 0 375.310 4.456 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCO[C@H]1c1cncc(Br)c1)[C@@H](C)c1ccccc1 ZINC000459775305 823263422 /nfs/dbraw/zinc/26/34/22/823263422.db2.gz XFRFTBYYMWHBRC-CFGMGRTJSA-N 1 0 375.310 4.456 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)C(=O)Nc3cccc(Cl)c3Cl)ccc21 ZINC000571973406 823263453 /nfs/dbraw/zinc/26/34/53/823263453.db2.gz MIKSNWFKBQALNG-INIZCTEOSA-N 1 0 392.286 4.120 20 0 GIADRO FC(F)(F)[C@H]1CCC[C@H]([NH2+][C@@H]2CCO[C@H]2c2cncc(Br)c2)C1 ZINC000459775570 823263441 /nfs/dbraw/zinc/26/34/41/823263441.db2.gz XJFKNNYYXFVHBI-MHEUCROKSA-N 1 0 393.247 4.385 20 0 GIADRO CO[C@](C)([C@H](C)[NH2+]Cc1ncc(-c2ccc(Br)cc2)o1)C1CC1 ZINC000411957553 823616530 /nfs/dbraw/zinc/61/65/30/823616530.db2.gz WIDLPGIOSMSXDJ-KPZWWZAWSA-N 1 0 379.298 4.397 20 0 GIADRO C[C@@H]1CCN(C(=O)NC[C@@H]2CCCC(F)(F)C2)CC[N@@H+]1Cc1ccccc1 ZINC000409616001 823262597 /nfs/dbraw/zinc/26/25/97/823262597.db2.gz BTIIPGUXFSRXOB-IEBWSBKVSA-N 1 0 379.495 4.118 20 0 GIADRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@@H]2CCO[C@H]2c2cncc(Br)c2)o1 ZINC000459771845 823262700 /nfs/dbraw/zinc/26/27/00/823262700.db2.gz SZYQHXVGNYTXAV-AKDPKCQSSA-N 1 0 377.282 4.180 20 0 GIADRO O[C@@H]1CC[N@H+](Cc2ccc(Br)c3cccnc23)C[C@H]1C1CCCC1 ZINC000459771283 823262725 /nfs/dbraw/zinc/26/27/25/823262725.db2.gz SYLBQSPKVCOBLC-PKOBYXMFSA-N 1 0 389.337 4.370 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@@H+](C)[C@@H](C)Cc1cccc(F)c1 ZINC000459774929 823263589 /nfs/dbraw/zinc/26/35/89/823263589.db2.gz WSPHRBYWIYOPMR-INIZCTEOSA-N 1 0 394.494 4.130 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@@H](C)c2ccccc2-n2cccn2)cc1 ZINC000121855216 823263669 /nfs/dbraw/zinc/26/36/69/823263669.db2.gz WGPOCNMXNKJFMA-IRXDYDNUSA-N 1 0 398.532 4.046 20 0 GIADRO C[C@@H]1C[NH+](CCCCNC(=O)c2sc3ccccc3c2Cl)C[C@@H](C)O1 ZINC000176690332 823268882 /nfs/dbraw/zinc/26/88/82/823268882.db2.gz PTTOKRYHCPQUEU-ZIAGYGMSSA-N 1 0 380.941 4.174 20 0 GIADRO COc1ccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1SC ZINC000459783836 823264785 /nfs/dbraw/zinc/26/47/85/823264785.db2.gz VZOLFYBBFXZBGP-APWZRJJASA-N 1 0 399.560 4.449 20 0 GIADRO CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)C(=O)OC(C)(C)C ZINC000459787751 823265044 /nfs/dbraw/zinc/26/50/44/823265044.db2.gz CVVDDMOEUPZRHR-HZPDHXFCSA-N 1 0 376.541 4.048 20 0 GIADRO C[C@H]([NH2+]CC(=O)N1CCC(OCc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000459787105 823265173 /nfs/dbraw/zinc/26/51/73/823265173.db2.gz MUXPZBIQGMOUNE-KRWDZBQOSA-N 1 0 386.923 4.198 20 0 GIADRO O=C(Nc1ccc(F)cc1OCC1CC1)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000571982151 823265258 /nfs/dbraw/zinc/26/52/58/823265258.db2.gz RSEHWIHUWJPKIA-LPHOPBHVSA-N 1 0 375.488 4.001 20 0 GIADRO COc1ccc(NC(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1SC ZINC000459788096 823265265 /nfs/dbraw/zinc/26/52/65/823265265.db2.gz XZZCNZXFGQXEIL-WMZOPIPTSA-N 1 0 399.560 4.449 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccccc2-n2cccn2)cc1NC(C)=O ZINC000121863419 823265352 /nfs/dbraw/zinc/26/53/52/823265352.db2.gz FSXJSDKIRVRWTI-HOTGVXAUSA-N 1 0 378.476 4.251 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@H](C)c2ccccc2-n2cccn2)cc1NC(C)=O ZINC000121863713 823265518 /nfs/dbraw/zinc/26/55/18/823265518.db2.gz FSXJSDKIRVRWTI-HZPDHXFCSA-N 1 0 378.476 4.251 20 0 GIADRO O=S(=O)(NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1)c1ccco1 ZINC000188585165 823266691 /nfs/dbraw/zinc/26/66/91/823266691.db2.gz TYVDSWUHJCEHGE-UHFFFAOYSA-N 1 0 396.512 4.021 20 0 GIADRO C[NH+](C)CCCC1CCN(Cc2nnc(-c3cc4c(s3)CCCC4)o2)CC1 ZINC000121871014 823267049 /nfs/dbraw/zinc/26/70/49/823267049.db2.gz RRUUTVMYERHGSL-UHFFFAOYSA-N 1 0 388.581 4.231 20 0 GIADRO NC(=O)N1CCC([NH2+]Cc2ccc(Oc3cc(Cl)cc(Cl)c3)cc2)CC1 ZINC000572018186 823269812 /nfs/dbraw/zinc/26/98/12/823269812.db2.gz FAPQNAYDZNNTLV-UHFFFAOYSA-N 1 0 394.302 4.418 20 0 GIADRO CC(C)OCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)CC1 ZINC000176696078 823270167 /nfs/dbraw/zinc/27/01/67/823270167.db2.gz FHJWKJXQMLHVSS-RBUKOAKNSA-N 1 0 399.362 4.103 20 0 GIADRO CC(C)c1csc(CNC(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000121888059 823270663 /nfs/dbraw/zinc/27/06/63/823270663.db2.gz RJRJEGQCZNZGEZ-KRWDZBQOSA-N 1 0 392.613 4.453 20 0 GIADRO CC[NH+]1CCN(Cc2ccc(NC(=O)[C@H]3CCCC[C@H]3C(F)(F)F)cc2)CC1 ZINC000057250086 823270856 /nfs/dbraw/zinc/27/08/56/823270856.db2.gz HAVPIAPQSMTROT-RBUKOAKNSA-N 1 0 397.485 4.131 20 0 GIADRO FC(F)(F)COc1ccc(C[NH2+][C@H]2c3ccccc3CC23CCOCC3)cn1 ZINC000572051929 823274561 /nfs/dbraw/zinc/27/45/61/823274561.db2.gz WOMOQYFDBKBGSU-IBGZPJMESA-N 1 0 392.421 4.207 20 0 GIADRO OC[C@]1(Cc2ccc(F)cc2)CC[N@H+](Cc2cc(Cl)cc3cccnc32)C1 ZINC000572038666 823272719 /nfs/dbraw/zinc/27/27/19/823272719.db2.gz KUFXZTORCNZHGY-QFIPXVFZSA-N 1 0 384.882 4.454 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)C1(c2cccc(F)c2)CCOCC1 ZINC000057266610 823273365 /nfs/dbraw/zinc/27/33/65/823273365.db2.gz JOVHONIBVHPMGR-UHFFFAOYSA-N 1 0 396.506 4.151 20 0 GIADRO O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000057275725 823274959 /nfs/dbraw/zinc/27/49/59/823274959.db2.gz UWHLGYLSLGEIDY-FQEVSTJZSA-N 1 0 395.522 4.068 20 0 GIADRO CC[C@H]([NH2+]C1CCN(c2cccnn2)CC1)c1ccc2cc(OC)ccc2c1 ZINC000572073056 823278018 /nfs/dbraw/zinc/27/80/18/823278018.db2.gz GFWBXSQPWNZMHP-QFIPXVFZSA-N 1 0 376.504 4.348 20 0 GIADRO CC1CC[NH+]([C@@H](CNC(=O)c2csc([C@H]3CCCO3)n2)c2ccccc2)CC1 ZINC000121926492 823278210 /nfs/dbraw/zinc/27/82/10/823278210.db2.gz GHENPYORDZVMRU-VQTJNVASSA-N 1 0 399.560 4.198 20 0 GIADRO CCOC(=O)C1CCC(O)(C[NH2+][C@@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000572076093 823278454 /nfs/dbraw/zinc/27/84/54/823278454.db2.gz FNFIGULLZBTKFZ-MHIUNMELSA-N 1 0 381.516 4.044 20 0 GIADRO FC(F)(F)c1cccc(NC(=S)NC[C@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000005939208 817631610 /nfs/dbraw/zinc/63/16/10/817631610.db2.gz KRPIYDWMPXUBNC-OAHLLOKOSA-N 1 0 383.439 4.422 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc(-n2cncn2)cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000121911903 823275649 /nfs/dbraw/zinc/27/56/49/823275649.db2.gz FDXVFQWTOQTINY-HOTGVXAUSA-N 1 0 375.476 4.028 20 0 GIADRO COc1cc(C)c([C@H](C)[NH2+]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)cc1OC ZINC000188626413 823275737 /nfs/dbraw/zinc/27/57/37/823275737.db2.gz DKJXKWUWAGQADT-DEYYWGMASA-N 1 0 375.431 4.146 20 0 GIADRO CN(Cc1ccncc1)C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000057286470 823276194 /nfs/dbraw/zinc/27/61/94/823276194.db2.gz OHAHMNWAABATBM-UHFFFAOYSA-N 1 0 380.536 4.188 20 0 GIADRO C[NH+](C)CCN(CCCc1ccccc1)C(=O)CCc1ccnc2ccccc12 ZINC000409663434 823277216 /nfs/dbraw/zinc/27/72/16/823277216.db2.gz ABWXOHCFXIICDX-UHFFFAOYSA-N 1 0 389.543 4.190 20 0 GIADRO COc1cc([C@H](C)[NH2+]Cc2cnc3ccccn23)ccc1OCc1ccncc1 ZINC000121921621 823277282 /nfs/dbraw/zinc/27/72/82/823277282.db2.gz GTLYJZUOGVRXBJ-KRWDZBQOSA-N 1 0 388.471 4.168 20 0 GIADRO Cc1ccc(C[C@@H]([NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)c2ccccn2)cc1 ZINC000121922173 823277811 /nfs/dbraw/zinc/27/78/11/823277811.db2.gz UJRBGUPJCGYBMV-WZONZLPQSA-N 1 0 394.540 4.428 20 0 GIADRO C[NH+]1CCN(C[C@H](NCc2cc(Cl)sc2Cl)c2ccccc2)CC1 ZINC000572089911 823281807 /nfs/dbraw/zinc/28/18/07/823281807.db2.gz AHSOWOFFQTWIJZ-INIZCTEOSA-N 1 0 384.376 4.133 20 0 GIADRO CN(C)C(=O)c1ccc(C[NH2+]C[C@H]2CC3c4ccccc4C2c2ccccc23)[nH]1 ZINC000176741087 823282227 /nfs/dbraw/zinc/28/22/27/823282227.db2.gz QTSNYIRFHLHMIM-RZDLDHBLSA-N 1 0 385.511 4.103 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)C1(c2ccccc2C)CCOCC1)c1ccccc1 ZINC000057383620 823285987 /nfs/dbraw/zinc/28/59/87/823285987.db2.gz TUGVERNYSZHQBV-HSZRJFAPSA-N 1 0 394.559 4.243 20 0 GIADRO c1ccc(CN2CCC([NH2+][C@H]3CCCOc4cc5c(cc43)CCC5)CC2)nc1 ZINC000121947875 823282835 /nfs/dbraw/zinc/28/28/35/823282835.db2.gz VGHNUAOGJYRXRK-QHCPKHFHSA-N 1 0 377.532 4.038 20 0 GIADRO COc1ccc2cc([C@H](C)C(=O)NCc3ccc(C[NH+](C)C)cc3)ccc2c1 ZINC000006983610 817734578 /nfs/dbraw/zinc/73/45/78/817734578.db2.gz QITUBVLEKCKDIW-KRWDZBQOSA-N 1 0 376.500 4.330 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(C(=O)N(C)C)[nH]1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000176751714 823284409 /nfs/dbraw/zinc/28/44/09/823284409.db2.gz AZYWWNJZLKOJIR-INIZCTEOSA-N 1 0 395.478 4.285 20 0 GIADRO Cc1cccnc1[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(OC(F)F)cc1)C(C)C ZINC000572109449 823284725 /nfs/dbraw/zinc/28/47/25/823284725.db2.gz PSZHBHYTFMRLQH-PBHICJAKSA-N 1 0 377.435 4.305 20 0 GIADRO COc1ccc(N(Cc2ccc(C(C)C)cc2)C(=S)NCC[NH+](C)C)cc1 ZINC000007065325 817751416 /nfs/dbraw/zinc/75/14/16/817751416.db2.gz GSYUSUQJGZMIHG-UHFFFAOYSA-N 1 0 385.577 4.261 20 0 GIADRO COc1ccc2ccc(O)c(C[N@H+](C)CC(=O)Nc3ccccc3Cl)c2c1 ZINC000007092437 817757680 /nfs/dbraw/zinc/75/76/80/817757680.db2.gz YQNCFMGZLCZJBX-UHFFFAOYSA-N 1 0 384.863 4.278 20 0 GIADRO FC(F)COc1cnccc1CN[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000572120322 823286385 /nfs/dbraw/zinc/28/63/85/823286385.db2.gz QRRZEVOGRCPMEH-LJQANCHMSA-N 1 0 387.474 4.012 20 0 GIADRO COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+]CC1=Cc2ccccc2OC1 ZINC000176763215 823286622 /nfs/dbraw/zinc/28/66/22/823286622.db2.gz IHUHBZFPYYKKSZ-UHFFFAOYSA-N 1 0 386.879 4.051 20 0 GIADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000572124428 823286614 /nfs/dbraw/zinc/28/66/14/823286614.db2.gz VYBQUYSDTZLYSC-OAHLLOKOSA-N 1 0 378.822 4.091 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)CC(=O)N(C)[C@@H](C)c3ccccc3)C2)s1 ZINC000572124691 823286667 /nfs/dbraw/zinc/28/66/67/823286667.db2.gz ASYMGJPCCGXXDV-PMACEKPBSA-N 1 0 399.604 4.030 20 0 GIADRO C[C@@H](NC(=O)N1CCC[C@H]1C[NH+]1CCCC1)c1ccc(Oc2cccnc2)cc1 ZINC000572126869 823287112 /nfs/dbraw/zinc/28/71/12/823287112.db2.gz PEGBMALBDSATBK-QUCCMNQESA-N 1 0 394.519 4.205 20 0 GIADRO CCC(CC)[C@@H](NC(=O)NCC1(SC)CC[NH+](C)CC1)c1cccs1 ZINC000460114845 823287293 /nfs/dbraw/zinc/28/72/93/823287293.db2.gz XBNLFARLILLIFU-QGZVFWFLSA-N 1 0 383.627 4.352 20 0 GIADRO Cc1ccc2c(CC[NH2+][C@H](C)CC(=O)Nc3cccnc3Cl)cn(C)c2c1 ZINC000188695758 823287671 /nfs/dbraw/zinc/28/76/71/823287671.db2.gz NPYVNSCEZPYFKQ-OAHLLOKOSA-N 1 0 384.911 4.085 20 0 GIADRO CCOc1cccc2cc([C@@H](C)[NH2+][C@@H](C)CS(=O)(=O)c3ccccc3)oc21 ZINC000122004171 823291455 /nfs/dbraw/zinc/29/14/55/823291455.db2.gz YELWMGYPJKNWLI-JKSUJKDBSA-N 1 0 387.501 4.345 20 0 GIADRO CCC[N@H+](CC)Cc1ccc(C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000409724898 823291601 /nfs/dbraw/zinc/29/16/01/823291601.db2.gz ZPVOVUHFATWQSX-JOCHJYFZSA-N 1 0 384.495 4.271 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccnn2Cc2ccc(C(C)C)cc2)[C@@H](C)C1 ZINC000460133422 823291598 /nfs/dbraw/zinc/29/15/98/823291598.db2.gz JJMDGLOOHSYQEN-RXVVDRJESA-N 1 0 397.567 4.249 20 0 GIADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc(-c4ccc(OC(F)F)cc4)s3)C2)C1 ZINC000572141595 823289346 /nfs/dbraw/zinc/28/93/46/823289346.db2.gz QIWCEHNHHAYXJI-HXUWFJFHSA-N 1 0 392.471 4.184 20 0 GIADRO O=C1CCCN1Cc1ccc(C[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)cc1 ZINC000121992867 823289892 /nfs/dbraw/zinc/28/98/92/823289892.db2.gz RHRUEINUIPNSOU-QHCPKHFHSA-N 1 0 390.527 4.301 20 0 GIADRO CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)Cc1ccc(F)cc1Br ZINC000572157848 823291698 /nfs/dbraw/zinc/29/16/98/823291698.db2.gz NULNBHDYOZYCQJ-WBMJQRKESA-N 1 0 395.320 4.359 20 0 GIADRO O=C(c1ccc(Cl)nc1)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000121995009 823290229 /nfs/dbraw/zinc/29/02/29/823290229.db2.gz ONUADFMJRQCTIK-UHFFFAOYSA-N 1 0 397.828 4.102 20 0 GIADRO CCOc1cc(NC(=O)N(CC)[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1OC ZINC000460127632 823290348 /nfs/dbraw/zinc/29/03/48/823290348.db2.gz NFDKQBAMGOTUFG-FQEVSTJZSA-N 1 0 397.519 4.222 20 0 GIADRO Clc1cccc(N2CC[NH+](CCCc3nc(-c4ccccc4)no3)CC2)c1 ZINC000007351010 817822411 /nfs/dbraw/zinc/82/24/11/817822411.db2.gz NCABXRUXEFBEEK-UHFFFAOYSA-N 1 0 382.895 4.145 20 0 GIADRO Cc1nc(CC2CC2)sc1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000188711926 823290663 /nfs/dbraw/zinc/29/06/63/823290663.db2.gz NSAFYFXQQAVWDQ-UHFFFAOYSA-N 1 0 387.574 4.205 20 0 GIADRO COc1ccc([C@@H](CNC(=S)Nc2ccc(C)c(F)c2)[NH+]2CCCC2)cc1 ZINC000007374624 817827096 /nfs/dbraw/zinc/82/70/96/817827096.db2.gz YFZPYRUSCHUPMI-HXUWFJFHSA-N 1 0 387.524 4.266 20 0 GIADRO COc1ccccc1[C@@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1OC)N(C)C ZINC000409722655 823291020 /nfs/dbraw/zinc/29/10/20/823291020.db2.gz XELJZYBSFNXIAH-QGZVFWFLSA-N 1 0 383.319 4.403 20 0 GIADRO Fc1ccccc1NC(=S)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000007402933 817831345 /nfs/dbraw/zinc/83/13/45/817831345.db2.gz WQEPRRISYYUWKC-UHFFFAOYSA-N 1 0 377.916 4.430 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)COc1ccccc1Cc1ccccc1)c1cccs1 ZINC000007408850 817833903 /nfs/dbraw/zinc/83/39/03/817833903.db2.gz KHYFWIUPAFIOQT-HXUWFJFHSA-N 1 0 394.540 4.137 20 0 GIADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2ccnc3c(Br)ccc(F)c23)C1 ZINC000409730004 823292482 /nfs/dbraw/zinc/29/24/82/823292482.db2.gz FURKJFCGCWMERA-SWLSCSKDSA-N 1 0 378.289 4.057 20 0 GIADRO CCN(C(=O)Nc1cccc(OC(F)F)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000460136300 823292902 /nfs/dbraw/zinc/29/29/02/823292902.db2.gz XZAKYLYNMGCJCC-SFHVURJKSA-N 1 0 389.446 4.416 20 0 GIADRO FC(F)Oc1ccc(NC(=S)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000007464180 817848133 /nfs/dbraw/zinc/84/81/33/817848133.db2.gz ATHNZTJZCVVYKB-UHFFFAOYSA-N 1 0 391.487 4.370 20 0 GIADRO COc1ccc(CCC(=O)N2CCC[N@H+](Cc3ccc4occc4c3)CC2)cc1 ZINC000572166678 823293431 /nfs/dbraw/zinc/29/34/31/823293431.db2.gz QODSIUOIGNVSEF-UHFFFAOYSA-N 1 0 392.499 4.109 20 0 GIADRO CCc1ccccc1NC(=O)C[C@H](C)[NH2+]CCc1ccccc1OC(F)F ZINC000188725344 823293595 /nfs/dbraw/zinc/29/35/95/823293595.db2.gz SVOHXWXLAUQFNL-HNNXBMFYSA-N 1 0 376.447 4.400 20 0 GIADRO COc1cc(C[N@@H+]2CCCN(c3ccccc3F)CC2)c(SC)cc1OC ZINC000572171190 823294256 /nfs/dbraw/zinc/29/42/56/823294256.db2.gz HDJANXCYOQMLAG-UHFFFAOYSA-N 1 0 390.524 4.277 20 0 GIADRO C[C@H](CNC(=O)N(C)[C@H]1CC[C@@H](C(F)(F)F)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000460139905 823294479 /nfs/dbraw/zinc/29/44/79/823294479.db2.gz SAXMWKPNTDILKG-LZQZEXGQSA-N 1 0 397.485 4.196 20 0 GIADRO CN(C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000460140152 823294633 /nfs/dbraw/zinc/29/46/33/823294633.db2.gz REUDDAFTZHZRGO-GBESFXJTSA-N 1 0 397.485 4.414 20 0 GIADRO COc1c(Br)cc(C[NH2+]C[C@@H]2CCCS2)cc1Br ZINC000122023353 823294730 /nfs/dbraw/zinc/29/47/30/823294730.db2.gz SYPALIDSTAVLSN-JTQLQIEISA-N 1 0 395.160 4.205 20 0 GIADRO CC[C@H](NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)c1ccccc1 ZINC000460140615 823294846 /nfs/dbraw/zinc/29/48/46/823294846.db2.gz BOWDDGKXJAMYSU-ZRBLBEILSA-N 1 0 377.532 4.301 20 0 GIADRO Cc1ccccc1NC(=S)C(C(=O)c1ccc([N+](=O)[O-])cc1)[n+]1ccccc1 ZINC000007611135 817879142 /nfs/dbraw/zinc/87/91/42/817879142.db2.gz UJFWGDNLUBEUGK-UHFFFAOYSA-O 1 0 392.460 4.242 20 0 GIADRO COc1cccc(C[NH2+][C@H]2c3cc(Br)ccc3SC[C@H]2C)n1 ZINC000572192460 823297769 /nfs/dbraw/zinc/29/77/69/823297769.db2.gz HHMTXTKWHLICHH-PIGZYNQJSA-N 1 0 379.323 4.425 20 0 GIADRO Cc1cccc2[nH]cc(CC[NH2+]Cc3c(Cl)cccc3N3CCOCC3)c21 ZINC000572182881 823296019 /nfs/dbraw/zinc/29/60/19/823296019.db2.gz UIGRZVAJKKBBTF-UHFFFAOYSA-N 1 0 383.923 4.299 20 0 GIADRO C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000572184115 823296319 /nfs/dbraw/zinc/29/63/19/823296319.db2.gz NHQGPDVRBOQRGG-XXBNENTESA-N 1 0 378.516 4.275 20 0 GIADRO CCc1ccc([C@@H](CNC(=O)Cc2cccc(C(F)(F)F)c2)[NH+](C)C)cc1 ZINC000007684796 817894835 /nfs/dbraw/zinc/89/48/35/817894835.db2.gz VGDMJWZQRPHCNP-LJQANCHMSA-N 1 0 378.438 4.229 20 0 GIADRO Cc1cc(F)cc2c1CN(C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000409744173 823297174 /nfs/dbraw/zinc/29/71/74/823297174.db2.gz YQBKSEQGCDQBNV-NQIIRXRSSA-N 1 0 395.522 4.112 20 0 GIADRO CCS(=O)(=O)c1ccc(N2CCC([NH2+][C@H]3CCC[C@@H](C4CC4)C3)CC2)cc1 ZINC000122005970 823291945 /nfs/dbraw/zinc/29/19/45/823291945.db2.gz UKJCMFIGSFWUCW-QUCCMNQESA-N 1 0 390.593 4.007 20 0 GIADRO Clc1cnn([C@@H]2CCN(Cc3ccc(Br)c4cccnc34)C2)c1 ZINC000572207829 823300410 /nfs/dbraw/zinc/30/04/10/823300410.db2.gz OJXLTCDYSHSYIF-CQSZACIVSA-N 1 0 391.700 4.294 20 0 GIADRO CCc1cccc(CC)c1NC(=O)CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000122071194 823301795 /nfs/dbraw/zinc/30/17/95/823301795.db2.gz KFSDJRRYKBYBTO-UHFFFAOYSA-N 1 0 385.596 4.338 20 0 GIADRO O=C(COc1ccc(F)cc1Cl)NCc1ccccc1C[NH+]1CCCCC1 ZINC000007850632 817937773 /nfs/dbraw/zinc/93/77/73/817937773.db2.gz ACCYTQOFIIEDMU-UHFFFAOYSA-N 1 0 390.886 4.160 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(OC)c(Cc3ccccc3)c2)C1 ZINC000176823628 823302587 /nfs/dbraw/zinc/30/25/87/823302587.db2.gz QFUUGWRJGSMXIV-HXUWFJFHSA-N 1 0 395.547 4.482 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cccc(Cl)c2)cc1Br ZINC000007879151 817947810 /nfs/dbraw/zinc/94/78/10/817947810.db2.gz WTMXHGSTXFGPFA-LLVKDONJSA-N 1 0 397.700 4.400 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cc(F)ccc2F)cc1Br ZINC000007879361 817948154 /nfs/dbraw/zinc/94/81/54/817948154.db2.gz YTACLXRQXHYRST-SNVBAGLBSA-N 1 0 399.235 4.025 20 0 GIADRO CCCC[C@H](C)N(C)C(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000460164056 823302760 /nfs/dbraw/zinc/30/27/60/823302760.db2.gz CIFNZPLGMNHEPV-FHWLQOOXSA-N 1 0 375.557 4.016 20 0 GIADRO Cc1cccnc1[C@H](NC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000176810672 823298799 /nfs/dbraw/zinc/29/87/99/823298799.db2.gz ADSDZTANRXONBE-FGZHOGPDSA-N 1 0 394.563 4.251 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1c(C)onc1-c1ccccc1 ZINC000007946153 817967020 /nfs/dbraw/zinc/96/70/20/817967020.db2.gz WCSUYLVTBVJXCW-UHFFFAOYSA-N 1 0 377.488 4.422 20 0 GIADRO CCN(CC)C(=O)c1cccc(NC(=O)C[NH2+][C@@H](c2ccc(F)cc2)C(C)C)c1 ZINC000008004081 817979174 /nfs/dbraw/zinc/97/91/74/817979174.db2.gz BJGQNTYHKXUQDG-JOCHJYFZSA-N 1 0 399.510 4.233 20 0 GIADRO Cc1cc2oc(=O)cc(C[NH+]3CCC(C(=O)Nc4ccccc4)CC3)c2cc1C ZINC000008004347 817979200 /nfs/dbraw/zinc/97/92/00/817979200.db2.gz OPPFQMOISQERBK-UHFFFAOYSA-N 1 0 390.483 4.261 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1cc(Br)ccc1F ZINC000008012393 817982879 /nfs/dbraw/zinc/98/28/79/817982879.db2.gz JUDLTKNYODNNDZ-UHFFFAOYSA-N 1 0 391.284 4.114 20 0 GIADRO Cc1csc([C@@H](NC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)C2CC2)n1 ZINC000176827975 823303941 /nfs/dbraw/zinc/30/39/41/823303941.db2.gz LMKSZLJGFMCVIK-JXFKEZNVSA-N 1 0 398.576 4.427 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)COc2ccccc2Cc2ccccc2)cc1 ZINC000008062820 817991881 /nfs/dbraw/zinc/99/18/81/817991881.db2.gz KKEXVRLBHYLEBX-UHFFFAOYSA-N 1 0 388.511 4.034 20 0 GIADRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)Nc2cccc(Oc3ccncc3)c2)CC1 ZINC000572224364 823303928 /nfs/dbraw/zinc/30/39/28/823303928.db2.gz KAHREFDGKUAPSN-HXUWFJFHSA-N 1 0 380.492 4.116 20 0 GIADRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)Nc2cccc(Oc3ccncc3)c2)CC1 ZINC000572224363 823304004 /nfs/dbraw/zinc/30/40/04/823304004.db2.gz KAHREFDGKUAPSN-FQEVSTJZSA-N 1 0 380.492 4.116 20 0 GIADRO Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cn2)c1C ZINC000572258698 823308593 /nfs/dbraw/zinc/30/85/93/823308593.db2.gz XTSDWWGNYVRADT-RTBURBONSA-N 1 0 394.519 4.344 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCCc3occc3C2)C1 ZINC000460172396 823305151 /nfs/dbraw/zinc/30/51/51/823305151.db2.gz XZAQYGOJCSMIQK-SFHVURJKSA-N 1 0 381.520 4.170 20 0 GIADRO C[C@@H](C(=O)NCc1ccccc1)[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000008249185 818022711 /nfs/dbraw/zinc/02/27/11/818022711.db2.gz YNMGINOCDXXDBA-WMZOPIPTSA-N 1 0 379.529 4.181 20 0 GIADRO CCC(CC)C(=O)N1CCC([NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)CC1 ZINC000572242626 823306732 /nfs/dbraw/zinc/30/67/32/823306732.db2.gz UCJYCTVUTYFPLF-QHCPKHFHSA-N 1 0 397.607 4.200 20 0 GIADRO Cc1ccc(SCC(F)(F)F)c(NC(=O)NCc2ccc(C[NH3+])cc2)c1 ZINC000572243103 823306873 /nfs/dbraw/zinc/30/68/73/823306873.db2.gz LWMWQPUSCPYOGR-UHFFFAOYSA-N 1 0 383.439 4.430 20 0 GIADRO Cc1nccn1CCCC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000122111918 823307919 /nfs/dbraw/zinc/30/79/19/823307919.db2.gz LMXKRECOTNQCRG-UHFFFAOYSA-N 1 0 390.531 4.017 20 0 GIADRO COc1ccc2[nH]cc(C3CCN(C(=O)C4(C[NH+](C)C)CCCCC4)CC3)c2c1 ZINC000460184276 823309073 /nfs/dbraw/zinc/30/90/73/823309073.db2.gz JVNNMXGYGRMMDI-UHFFFAOYSA-N 1 0 397.563 4.395 20 0 GIADRO Cc1nc(CC(C)C)oc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000188800433 823308236 /nfs/dbraw/zinc/30/82/36/823308236.db2.gz YRHGSIKKTSNPKC-IHWFROFDSA-N 1 0 381.520 4.107 20 0 GIADRO CCC(=O)Nc1ccc(C)c(NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000057542198 823308362 /nfs/dbraw/zinc/30/83/62/823308362.db2.gz VEBQZRNFPAEWNL-UHFFFAOYSA-N 1 0 394.519 4.261 20 0 GIADRO COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)NCC2CC[NH2+]CC2)cc1 ZINC000572263107 823309572 /nfs/dbraw/zinc/30/95/72/823309572.db2.gz DZRANSRJDKQVOZ-KRWDZBQOSA-N 1 0 381.520 4.064 20 0 GIADRO C[C@H](C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1)c1cccc(F)c1 ZINC000176852877 823310199 /nfs/dbraw/zinc/31/01/99/823310199.db2.gz SRJMQBUOGRFOEN-IBGZPJMESA-N 1 0 398.522 4.117 20 0 GIADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)N[C@@H](c1c[nH]c2ccccc21)C(F)(F)F ZINC000572267949 823310305 /nfs/dbraw/zinc/31/03/05/823310305.db2.gz TUFBSTQQSRVZHR-KDOFPFPSSA-N 1 0 396.457 4.287 20 0 GIADRO CCn1c(-c2ccoc2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000460188745 823310606 /nfs/dbraw/zinc/31/06/06/823310606.db2.gz XIBJDOGSGOGPNJ-YLJYHZDGSA-N 1 0 379.508 4.047 20 0 GIADRO CN(C)C(=O)Sc1ccc(C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)cc1 ZINC000176855281 823310773 /nfs/dbraw/zinc/31/07/73/823310773.db2.gz IJPMCFSGNNLWES-UHFFFAOYSA-N 1 0 397.544 4.311 20 0 GIADRO Cc1ccc(-c2cnc(C[N@@H+]3CC[C@@](CO)(Cc4ccc(F)cc4)C3)o2)cc1 ZINC000572280539 823312615 /nfs/dbraw/zinc/31/26/15/823312615.db2.gz WYTLEELEFCYWTF-HSZRJFAPSA-N 1 0 380.463 4.216 20 0 GIADRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(Cc3ccccc3)Cc3ccccc3)CC[C@H]21 ZINC000409813075 823314422 /nfs/dbraw/zinc/31/44/22/823314422.db2.gz RYURTBGFNVLZCE-LADGPHEKSA-N 1 0 376.544 4.031 20 0 GIADRO O=C(CCCC1CCOCC1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000409818114 823316044 /nfs/dbraw/zinc/31/60/44/823316044.db2.gz AYJYLOHJXBPVPX-XZOQPEGZSA-N 1 0 384.564 4.096 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@@H](C)c2ccc(F)cc2F)c1 ZINC000122169913 823316385 /nfs/dbraw/zinc/31/63/85/823316385.db2.gz IJIKTDGHRBBZBX-STQMWFEESA-N 1 0 378.419 4.050 20 0 GIADRO CO[C@H]1C[C@@H]([N@H+](C)Cc2cc(Br)ccc2OCc2ccccn2)C1 ZINC000572324085 823320404 /nfs/dbraw/zinc/32/04/04/823320404.db2.gz HKQANXYRVOBEKB-HDICACEKSA-N 1 0 391.309 4.032 20 0 GIADRO CCOc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000057626745 823316533 /nfs/dbraw/zinc/31/65/33/823316533.db2.gz OJLSSSLKZWABTM-HSZRJFAPSA-N 1 0 396.531 4.280 20 0 GIADRO CCc1nc2cc(C[NH2+][C@@H](C)CC(=O)Nc3ccccc3)ccc2n1C1CC1 ZINC000572305509 823317123 /nfs/dbraw/zinc/31/71/23/823317123.db2.gz OQCPWQMJGGJBRM-INIZCTEOSA-N 1 0 376.504 4.441 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccccc2SC(F)(F)F)C1 ZINC000176893258 823319052 /nfs/dbraw/zinc/31/90/52/823319052.db2.gz KRHYFJGAHRINIH-CYBMUJFWSA-N 1 0 375.460 4.494 20 0 GIADRO CCn1c(Cc2cccc3ccccc32)nnc1N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460213950 823319440 /nfs/dbraw/zinc/31/94/40/823319440.db2.gz UGRMYVQIAWARDL-GHTZIAJQSA-N 1 0 389.547 4.105 20 0 GIADRO CC[C@@H](C)c1ccc(S(=O)(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000013947045 818216598 /nfs/dbraw/zinc/21/65/98/818216598.db2.gz PEFLLYKYHCPBNW-GOSISDBHSA-N 1 0 386.561 4.143 20 0 GIADRO Cc1cccc(NC(=O)[C@H](C)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1C ZINC000572326533 823321076 /nfs/dbraw/zinc/32/10/76/823321076.db2.gz XUBZBKLAMIJRLW-MDNUFGMLSA-N 1 0 391.559 4.084 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Nc1ccn2ccnc2c1 ZINC000572327371 823321639 /nfs/dbraw/zinc/32/16/39/823321639.db2.gz DWYOGUPMTVCRJO-QGZVFWFLSA-N 1 0 377.492 4.030 20 0 GIADRO CC1(C)[C@H]([NH2+]CC(=O)Nc2ccccc2Sc2ccccc2)[C@H]2CCO[C@H]21 ZINC000572353444 823326159 /nfs/dbraw/zinc/32/61/59/823326159.db2.gz FZJMZEFWHIGYEU-MAODMQOUSA-N 1 0 382.529 4.179 20 0 GIADRO COc1cc(C[NH2+][C@@H]2CCOc3c(C)cccc32)cc(Br)c1O ZINC000188880852 823322135 /nfs/dbraw/zinc/32/21/35/823322135.db2.gz TULWQQJOHIIKPO-OAHLLOKOSA-N 1 0 378.266 4.085 20 0 GIADRO Cc1cc(OC[C@@H](O)C[NH+]2CCC(n3ccnc3)CC2)c(C(C)C)cc1Cl ZINC000176913276 823323024 /nfs/dbraw/zinc/32/30/24/823323024.db2.gz AVHBZWPGFGBGBI-SFHVURJKSA-N 1 0 391.943 4.045 20 0 GIADRO NC(=O)NC1CC[NH+](Cc2ccc(Oc3cccc(Cl)c3Cl)cc2)CC1 ZINC000176914547 823323161 /nfs/dbraw/zinc/32/31/61/823323161.db2.gz MZJPOEUKAGXBTF-UHFFFAOYSA-N 1 0 394.302 4.418 20 0 GIADRO CC[C@@H]([NH2+]CC(=O)NC[C@@H]1CCN(c2ccccc2)C1)c1ccc(Cl)cc1 ZINC000122240587 823326319 /nfs/dbraw/zinc/32/63/19/823326319.db2.gz WTDGHYDCWSKUNC-LAUBAEHRSA-N 1 0 385.939 4.023 20 0 GIADRO CC(C)n1c(-c2c[nH]c3ccccc23)nnc1N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000572355590 823326366 /nfs/dbraw/zinc/32/63/66/823326366.db2.gz JAZDRWNGOBTYRS-DLBZAZTESA-N 1 0 378.524 4.070 20 0 GIADRO C[C@H]1C[C@H](N(C)Cc2noc(-c3ccsc3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000176917211 823323724 /nfs/dbraw/zinc/32/37/24/823323724.db2.gz KCWTWFSIFWIXOL-QFBILLFUSA-N 1 0 382.533 4.283 20 0 GIADRO C[C@@H]1C[C@H](N(C)Cc2noc(-c3ccsc3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000176917197 823323845 /nfs/dbraw/zinc/32/38/45/823323845.db2.gz KCWTWFSIFWIXOL-VQIMIIECSA-N 1 0 382.533 4.283 20 0 GIADRO CC1CC[NH+](Cc2cccc(CNC(=O)[C@@H]3C[C@H]3c3cccc(O)c3)c2)CC1 ZINC000572341851 823324153 /nfs/dbraw/zinc/32/41/53/823324153.db2.gz DDNSTLAQNADEAA-XZOQPEGZSA-N 1 0 378.516 4.044 20 0 GIADRO 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 ZINC000409848244 823324774 /nfs/dbraw/zinc/32/47/74/823324774.db2.gz ISBKGCOCGYQZGQ-QCZDDFMUSA-N 1 0 378.516 4.458 20 0 GIADRO CN(C)C(=O)Sc1cccc(C[NH2+]C2(c3ccc(F)cc3)CCOCC2)c1 ZINC000176921752 823324929 /nfs/dbraw/zinc/32/49/29/823324929.db2.gz WFDCSGYHNYFRIR-UHFFFAOYSA-N 1 0 388.508 4.395 20 0 GIADRO Fc1cc(F)cc([C@H]2C[C@H]([NH2+]Cc3c[nH]nc3-c3ccc4c(c3)OCO4)C2)c1 ZINC000572344282 823325047 /nfs/dbraw/zinc/32/50/47/823325047.db2.gz DMJOOUHPCUYXNS-PPUGGXLSSA-N 1 0 383.398 4.119 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Cc2cccc(C(F)(F)F)c2)C1 ZINC000409849025 823325253 /nfs/dbraw/zinc/32/52/53/823325253.db2.gz LUVLLQCADNDNAP-BEFAXECRSA-N 1 0 376.422 4.200 20 0 GIADRO Cc1c(C[NH2+]Cc2ccc(C(F)(F)F)cc2C)c(=O)n(-c2ccccc2)n1C ZINC000188908979 823326650 /nfs/dbraw/zinc/32/66/50/823326650.db2.gz ILAUQFOGOOOCSS-UHFFFAOYSA-N 1 0 389.421 4.101 20 0 GIADRO C[C@H](NC(=O)NC[C@@H](c1cccs1)[NH+](C)C)c1ccc(-c2cccnc2)cc1 ZINC000176929431 823326678 /nfs/dbraw/zinc/32/66/78/823326678.db2.gz KIGIKEXHJMMWMJ-JXFKEZNVSA-N 1 0 394.544 4.473 20 0 GIADRO C[C@@H](O)[C@](C)(C[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)Cc1ccccc1 ZINC000188903695 823325729 /nfs/dbraw/zinc/32/57/29/823325729.db2.gz PIWTZLPDAYOUOR-PLMZWKLBSA-N 1 0 375.553 4.106 20 0 GIADRO Cc1cc(C(=O)Nc2cc(C[NH+](C)C)ccn2)c2cc(Br)ccc2n1 ZINC000176925384 823325900 /nfs/dbraw/zinc/32/59/00/823325900.db2.gz MHBWUALHQSJEGC-UHFFFAOYSA-N 1 0 399.292 4.015 20 0 GIADRO CCC[NH+]1CCN(c2nc(-c3cccnc3)nc3sc4c(c32)CCCC4)CC1 ZINC000015169260 818296765 /nfs/dbraw/zinc/29/67/65/818296765.db2.gz TZASWWSKHUUORZ-UHFFFAOYSA-N 1 0 393.560 4.164 20 0 GIADRO Cc1nc(CC[NH2+]C[C@@H](O)CO[C@@H](c2ccccc2)c2ccc(C)cc2)cs1 ZINC000572356695 823326900 /nfs/dbraw/zinc/32/69/00/823326900.db2.gz SABTUFXAVZSTRO-PKTZIBPZSA-N 1 0 396.556 4.059 20 0 GIADRO Cc1nc(CC[NH2+]C[C@H](O)CO[C@H](c2ccccc2)c2ccc(C)cc2)cs1 ZINC000572356696 823326904 /nfs/dbraw/zinc/32/69/04/823326904.db2.gz SABTUFXAVZSTRO-XZOQPEGZSA-N 1 0 396.556 4.059 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2nc(-c3ccccc3)n3c2CCCCC3)[C@H](C)C1 ZINC000122281020 823331752 /nfs/dbraw/zinc/33/17/52/823331752.db2.gz PDJCMJCJMHEFQR-UYAOXDASSA-N 1 0 394.563 4.079 20 0 GIADRO Cc1cccc(NC(=S)C(C(=O)c2ccccc2)[n+]2cccc(CO)c2)c1C ZINC000015246776 818302390 /nfs/dbraw/zinc/30/23/90/818302390.db2.gz OJUGVIUZPPQNAB-UHFFFAOYSA-O 1 0 391.516 4.134 20 0 GIADRO COc1ccc(C(=O)C(C(=S)Nc2ccccc2OC)[n+]2ccccc2)cc1 ZINC000015245096 818302428 /nfs/dbraw/zinc/30/24/28/818302428.db2.gz XOLOGEGKTQKHJZ-UHFFFAOYSA-O 1 0 393.488 4.042 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Cc1cccc(N)c1)c1ccc(C(F)(F)F)cc1 ZINC000572359755 823327299 /nfs/dbraw/zinc/32/72/99/823327299.db2.gz VMJCALPDWGVHMV-LJQANCHMSA-N 1 0 393.453 4.029 20 0 GIADRO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000015300549 818309449 /nfs/dbraw/zinc/30/94/49/818309449.db2.gz AECCXQQANZOILL-DEOSSOPVSA-N 1 0 392.543 4.313 20 0 GIADRO COc1ccc(NC(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)cc1F ZINC000057753775 823328616 /nfs/dbraw/zinc/32/86/16/823328616.db2.gz NFJUWGQXJAWYLH-SFHVURJKSA-N 1 0 391.874 4.446 20 0 GIADRO COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CCC[C@H]2C)cc1 ZINC000409860574 823328705 /nfs/dbraw/zinc/32/87/05/823328705.db2.gz UTUIMRCFBWSDDC-GJYPPUQNSA-N 1 0 395.503 4.053 20 0 GIADRO Cc1noc(C)c1CSc1ccccc1C(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000176936883 823329077 /nfs/dbraw/zinc/32/90/77/823329077.db2.gz DGAZRLGPNCVOHQ-UHFFFAOYSA-N 1 0 396.516 4.293 20 0 GIADRO Cc1c(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)cccc1-c1ccccn1 ZINC000122262492 823329300 /nfs/dbraw/zinc/32/93/00/823329300.db2.gz CRBHYBWBAHJJGQ-JOCHJYFZSA-N 1 0 399.538 4.351 20 0 GIADRO CC1(C(=O)N[C@@H]2CCCc3cc(N)ccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000572392945 823332071 /nfs/dbraw/zinc/33/20/71/823332071.db2.gz JEFUDLTVOXZDLD-JOCHJYFZSA-N 1 0 377.532 4.065 20 0 GIADRO CC(C)[C@H]([NH2+]CCC(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1 ZINC000015550601 818337623 /nfs/dbraw/zinc/33/76/23/818337623.db2.gz UKCITNXUQIPNCC-QHCPKHFHSA-N 1 0 397.494 4.268 20 0 GIADRO O=C(NC1CC(c2ccccc2)C1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000460246840 823329883 /nfs/dbraw/zinc/32/98/83/823329883.db2.gz KXZJCPBYTMDCGM-IIQVAULWSA-N 1 0 389.543 4.096 20 0 GIADRO C[C@H](c1ccccc1F)N1CCC[C@@H]([NH2+]Cc2cccc(OC(F)F)c2)C1=O ZINC000572382797 823330243 /nfs/dbraw/zinc/33/02/43/823330243.db2.gz GPFKKDTWZCYYFH-AUUYWEPGSA-N 1 0 392.421 4.269 20 0 GIADRO C[NH+](C)CCN(C(=O)Nc1ccc(Cl)cc1OC(F)F)C1CCCC1 ZINC000460249259 823330668 /nfs/dbraw/zinc/33/06/68/823330668.db2.gz CNJWILWIMWSWDN-UHFFFAOYSA-N 1 0 375.847 4.280 20 0 GIADRO COCCOc1cccc(CC(=O)Nc2cccc3c2C[N@H+](CCC(C)C)C3)c1 ZINC000122270742 823330678 /nfs/dbraw/zinc/33/06/78/823330678.db2.gz JXRIQMXDNYSSDS-UHFFFAOYSA-N 1 0 396.531 4.255 20 0 GIADRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1)c1ccc(-c2cccnc2)cc1 ZINC000572389444 823331491 /nfs/dbraw/zinc/33/14/91/823331491.db2.gz SFTZHCZLFJJYMF-IERDGZPVSA-N 1 0 382.891 4.493 20 0 GIADRO CC[C@H](C)c1nnc(N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)n1CC ZINC000460253469 823331603 /nfs/dbraw/zinc/33/16/03/823331603.db2.gz SPRMAQNIZXXFJQ-WMZHIEFXSA-N 1 0 381.568 4.304 20 0 GIADRO O=S1(=O)CCC[C@H](C[NH2+]Cc2ccccc2Oc2ccc(F)cc2Cl)C1 ZINC000572400601 823332835 /nfs/dbraw/zinc/33/28/35/823332835.db2.gz RBVDXPSQCOWAHF-CQSZACIVSA-N 1 0 397.899 4.186 20 0 GIADRO Cc1cc(C)n(-c2ccc(C(=O)NC[C@H](c3ccco3)[NH+]3CCCCC3)cc2)n1 ZINC000015988727 818381593 /nfs/dbraw/zinc/38/15/93/818381593.db2.gz WDOLBTHHEHPIJJ-OAQYLSRUSA-N 1 0 392.503 4.039 20 0 GIADRO CCOC1CC([NH2+][C@@H](Cc2ccccn2)c2ccc(Br)cc2)C1 ZINC000572408460 823333931 /nfs/dbraw/zinc/33/39/31/823333931.db2.gz YLNFDZHIMNZQJG-ACBHZAAOSA-N 1 0 375.310 4.285 20 0 GIADRO COc1ccc([C@@H](C[NH2+]Cc2ccc(Cl)cc2Cl)N2CCOCC2)cc1 ZINC000057801106 823334538 /nfs/dbraw/zinc/33/45/38/823334538.db2.gz SWADPJFDAOWKFH-HXUWFJFHSA-N 1 0 395.330 4.165 20 0 GIADRO O=C([C@@H]1CC[N@H+](Cc2ccc(-c3nc4ccccc4s3)o2)C1)N1CCCC1 ZINC000572409716 823334633 /nfs/dbraw/zinc/33/46/33/823334633.db2.gz ZNUIZCQMGGPMEB-OAHLLOKOSA-N 1 0 381.501 4.001 20 0 GIADRO COc1cccc([C@@H](CNC(=S)Nc2cc(C)cc(C)c2)[NH+]2CCCC2)c1 ZINC000016244976 818411132 /nfs/dbraw/zinc/41/11/32/818411132.db2.gz CMGMYCUIWCQZDA-OAQYLSRUSA-N 1 0 383.561 4.436 20 0 GIADRO C[C@H](O)[C@H](N[C@@H]1CCc2c1c(Br)ccc2F)c1ccccc1F ZINC000572413718 823335110 /nfs/dbraw/zinc/33/51/10/823335110.db2.gz QGZZMPFBIYEOSW-HIIUDZQISA-N 1 0 382.248 4.426 20 0 GIADRO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@H](Cc2ccccc2)c2ccc(OC)cc2)C1 ZINC000460267988 823335523 /nfs/dbraw/zinc/33/55/23/823335523.db2.gz NWNPUQVPGVSFAO-NFBKMPQASA-N 1 0 395.547 4.010 20 0 GIADRO CCc1cccc(CC)c1NC(=S)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000016318339 818423294 /nfs/dbraw/zinc/42/32/94/818423294.db2.gz CWUPPTDLFBXBCW-UHFFFAOYSA-N 1 0 389.609 4.133 20 0 GIADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)N(C)Cc2cccc(C(F)(F)F)c2)C1 ZINC000122309563 823336161 /nfs/dbraw/zinc/33/61/61/823336161.db2.gz CNVWQPSWQSKORX-MRXNPFEDSA-N 1 0 385.474 4.359 20 0 GIADRO O=C(NCc1ccccc1)C1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000016396261 818434693 /nfs/dbraw/zinc/43/46/93/818434693.db2.gz CRXBPVCQRNZXCE-UHFFFAOYSA-N 1 0 376.422 4.234 20 0 GIADRO Cc1ccc(F)c(NC(=S)NCC2CC[NH+](Cc3cccs3)CC2)c1 ZINC000057816893 823336434 /nfs/dbraw/zinc/33/64/34/823336434.db2.gz GGZKIUQFUBEVDH-UHFFFAOYSA-N 1 0 377.554 4.394 20 0 GIADRO CCOC(=O)Nc1ccc2c(C[N@H+](C)Cc3cccc(OC)c3)cc(=O)oc2c1 ZINC000016558448 818454745 /nfs/dbraw/zinc/45/47/45/818454745.db2.gz WOUABIMRFRGOQC-UHFFFAOYSA-N 1 0 396.443 4.002 20 0 GIADRO COc1cc(NC(=O)C[N@@H+]2CCC[C@H]2c2cccc(C)c2C)cc(OC)c1OC ZINC000122335435 823340069 /nfs/dbraw/zinc/34/00/69/823340069.db2.gz LLPZSVSQWGXIQL-IBGZPJMESA-N 1 0 398.503 4.105 20 0 GIADRO COc1ccc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)cc1F ZINC000122338481 823340636 /nfs/dbraw/zinc/34/06/36/823340636.db2.gz CKWHYZFQHZXXTF-HNNXBMFYSA-N 1 0 391.508 4.401 20 0 GIADRO CC(C)n1cnc(C(=O)N[C@@H]2CCN(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000409905244 823340923 /nfs/dbraw/zinc/34/09/23/823340923.db2.gz VTWYJDFOQLAVLU-MJGOQNOKSA-N 1 0 392.906 4.210 20 0 GIADRO COc1ccc(C(=O)Nc2cccc(C[NH2+]CCOc3cccc(C)c3)c2)cc1 ZINC000017315845 818508625 /nfs/dbraw/zinc/50/86/25/818508625.db2.gz DJFQJSKLIQMVPR-UHFFFAOYSA-N 1 0 390.483 4.425 20 0 GIADRO Clc1ccccc1COc1cccc(C[NH2+]CCc2nnc3ccccn32)c1 ZINC000017319142 818509145 /nfs/dbraw/zinc/50/91/45/818509145.db2.gz RHKXVXPORCIYRJ-UHFFFAOYSA-N 1 0 392.890 4.294 20 0 GIADRO C[C@@H]([NH2+]Cc1cnn(Cc2ccc(F)cc2)c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000189018018 823342633 /nfs/dbraw/zinc/34/26/33/823342633.db2.gz SSPDGTGIFBGJCL-MRXNPFEDSA-N 1 0 392.478 4.270 20 0 GIADRO CC(C)(COCc1ccccc1)NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000409913044 823342725 /nfs/dbraw/zinc/34/27/25/823342725.db2.gz UCXYRXJWNDDURN-UHFFFAOYSA-N 1 0 380.532 4.010 20 0 GIADRO COc1ccc([C@H](CNC(=O)c2ccc(F)cc2Cl)[NH+]2CCCC2)cc1 ZINC000017911603 818532936 /nfs/dbraw/zinc/53/29/36/818532936.db2.gz YKRGGVIFKXFEIM-IBGZPJMESA-N 1 0 376.859 4.055 20 0 GIADRO CC1CC[NH+]([C@H](CNC(=O)NCC(C)(C)C(F)(F)F)c2cccs2)CC1 ZINC000572493173 823349281 /nfs/dbraw/zinc/34/92/81/823349281.db2.gz PNPAARCYUOPMLO-CQSZACIVSA-N 1 0 391.503 4.409 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCc2cc(F)cc(F)c2)C1 ZINC000057889606 823345358 /nfs/dbraw/zinc/34/53/58/823345358.db2.gz LYCBQVIUGNFMEF-MRXNPFEDSA-N 1 0 387.474 4.196 20 0 GIADRO CCn1c(N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)nnc1C(C)(C)C ZINC000460301073 823345382 /nfs/dbraw/zinc/34/53/82/823345382.db2.gz PVYMIGKFVZHXDM-QHCPKHFHSA-N 1 0 381.568 4.088 20 0 GIADRO O=C(NCCc1ccc(OC(F)F)cc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000018207185 818556645 /nfs/dbraw/zinc/55/66/45/818556645.db2.gz SWKNZFOVJFYOAC-UHFFFAOYSA-N 1 0 388.458 4.246 20 0 GIADRO CO[C@@H](CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000460312666 823349530 /nfs/dbraw/zinc/34/95/30/823349530.db2.gz NZNVMBVWZYVWAP-FPOVZHCZSA-N 1 0 386.923 4.056 20 0 GIADRO CC(C)(C)OC(=O)Cc1ccccc1NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000177013387 823349578 /nfs/dbraw/zinc/34/95/78/823349578.db2.gz DBGMRXBCBRLCMG-SFHVURJKSA-N 1 0 386.536 4.164 20 0 GIADRO CO[C@@H](CNC(=O)c1oc2ccccc2c1C[NH+](C)C)c1ccc(Cl)cc1 ZINC000460312785 823349676 /nfs/dbraw/zinc/34/96/76/823349676.db2.gz FESCVOYVPOIPTL-IBGZPJMESA-N 1 0 386.879 4.265 20 0 GIADRO CCOc1cccc(CNC(=O)Nc2cccc(C[NH+](C)C)c2)c1OC(F)F ZINC000177008454 823348500 /nfs/dbraw/zinc/34/85/00/823348500.db2.gz NIZYOCUPJPKJDX-UHFFFAOYSA-N 1 0 393.434 4.070 20 0 GIADRO C[C@@H](NCc1ccccc1OCC[NH+](C)C)c1ccc(F)cc1OC(F)F ZINC000122395270 823348817 /nfs/dbraw/zinc/34/88/17/823348817.db2.gz DFQSBFYJLNOFBQ-CQSZACIVSA-N 1 0 382.426 4.218 20 0 GIADRO CCC(=O)Nc1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000177022379 823351559 /nfs/dbraw/zinc/35/15/59/823351559.db2.gz PWKBYRIHIFLMMV-DYESRHJHSA-N 1 0 394.519 4.210 20 0 GIADRO COc1cc(C[NH2+]C[C@H](O)c2ccc(OC(F)(F)F)cc2)ccc1SC ZINC000057973996 823352053 /nfs/dbraw/zinc/35/20/53/823352053.db2.gz HEGUTIBCDNPLTH-HNNXBMFYSA-N 1 0 387.423 4.139 20 0 GIADRO Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]C1CCN(CC(F)F)CC1 ZINC000057978317 823352295 /nfs/dbraw/zinc/35/22/95/823352295.db2.gz QOHNGHUKJXXNND-UHFFFAOYSA-N 1 0 396.913 4.021 20 0 GIADRO CC1CC[NH+](C2CCC(NC(=O)c3cccnc3SC(F)F)CC2)CC1 ZINC000122423512 823352282 /nfs/dbraw/zinc/35/22/82/823352282.db2.gz DWDOKIGNUPDKSW-UHFFFAOYSA-N 1 0 383.508 4.169 20 0 GIADRO FC(F)CN1CCC([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000057978404 823352701 /nfs/dbraw/zinc/35/27/01/823352701.db2.gz ZSRMMNMNTOZYMZ-UHFFFAOYSA-N 1 0 396.485 4.358 20 0 GIADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1cc(Br)c(F)cc1F ZINC000189077216 823353071 /nfs/dbraw/zinc/35/30/71/823353071.db2.gz MXQBCIZFYLWRBU-NSHDSACASA-N 1 0 390.272 4.065 20 0 GIADRO O=C(NCc1cnc(-c2ccc(Cl)cc2)s1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000572525149 823354271 /nfs/dbraw/zinc/35/42/71/823354271.db2.gz GIOWPNOPPVQJGA-XKQJLSEDSA-N 1 0 375.925 4.000 20 0 GIADRO Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[NH2+]CCCOC[C@H]1CCCO1 ZINC000058013622 823354844 /nfs/dbraw/zinc/35/48/44/823354844.db2.gz WJNDZZXKAVJONF-QGZVFWFLSA-N 1 0 398.334 4.163 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccc2ccccc2c1O ZINC000189060370 823350169 /nfs/dbraw/zinc/35/01/69/823350169.db2.gz YJUXAMPNOQYSFK-QVKFZJNVSA-N 1 0 378.447 4.136 20 0 GIADRO COc1cc(F)c(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1OC ZINC000572531592 823355679 /nfs/dbraw/zinc/35/56/79/823355679.db2.gz AJMRTXSSMSBZCI-IHWFROFDSA-N 1 0 384.495 4.128 20 0 GIADRO Cc1sc(NC(=O)CN[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)c(C)c1C ZINC000460351167 823361014 /nfs/dbraw/zinc/36/10/14/823361014.db2.gz SFTDPVXRWALGQN-BRLLKYFNSA-N 1 0 399.604 4.358 20 0 GIADRO Fc1ccccc1-c1noc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)n1 ZINC000189096869 823356998 /nfs/dbraw/zinc/35/69/98/823356998.db2.gz JOMUDBQYXKYAOT-CQSZACIVSA-N 1 0 378.407 4.397 20 0 GIADRO CC1CC[NH+](CCCCNC(=O)NC[C@H](Cc2ccccc2)C(F)(F)F)CC1 ZINC000572538323 823357290 /nfs/dbraw/zinc/35/72/90/823357290.db2.gz VYIGIXJMGRUQKL-IBGZPJMESA-N 1 0 399.501 4.219 20 0 GIADRO C[C@H](C(=O)NCc1ccc(CC[NH+](C)C)cc1)c1ccc(C(F)(F)F)cc1 ZINC000409967221 823357383 /nfs/dbraw/zinc/35/73/83/823357383.db2.gz OOQQFAZGVOYKHW-HNNXBMFYSA-N 1 0 378.438 4.229 20 0 GIADRO CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1CCc1nc(-c2ccccc2)no1 ZINC000177043077 823357963 /nfs/dbraw/zinc/35/79/63/823357963.db2.gz TVNYGRVAKDNOOW-HXUWFJFHSA-N 1 0 387.487 4.486 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Nc1cccc(COC)c1)c1cccc(OC)c1 ZINC000058058605 823358140 /nfs/dbraw/zinc/35/81/40/823358140.db2.gz CGWNCYUPDAEMFC-OAQYLSRUSA-N 1 0 385.508 4.046 20 0 GIADRO CC(C)(CO)[C@H]([NH2+]Cc1csc(COc2ccc(Cl)cc2)n1)C1CC1 ZINC000572546174 823358499 /nfs/dbraw/zinc/35/84/99/823358499.db2.gz PJCVVVGCBNOSFB-GOSISDBHSA-N 1 0 380.941 4.262 20 0 GIADRO C[N@@H+]1CCC[C@]2(CCN(Cc3ncc(-c4ccccc4Br)o3)C2)C1 ZINC000572546010 823358719 /nfs/dbraw/zinc/35/87/19/823358719.db2.gz HXYIZUMWSXJIMP-IBGZPJMESA-N 1 0 390.325 4.022 20 0 GIADRO O=C(Nc1cccc(C(F)(F)F)c1)[C@H]([NH2+]C[C@H]1CCCO1)c1ccccc1 ZINC000021818360 818739231 /nfs/dbraw/zinc/73/92/31/818739231.db2.gz AYBKYFMXMBPLCZ-QZTJIDSGSA-N 1 0 378.394 4.154 20 0 GIADRO C[C@@H]([NH2+][C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1)[C@H](C)CO ZINC000460345146 823359508 /nfs/dbraw/zinc/35/95/08/823359508.db2.gz FETDDBMLCQWQFL-VFVRVIDISA-N 1 0 381.303 4.280 20 0 GIADRO Oc1cccc2c1C[C@H]([NH2+]Cc1csc(COc3ccc(Cl)cc3)n1)C2 ZINC000572553243 823359662 /nfs/dbraw/zinc/35/96/62/823359662.db2.gz WGNWQYLTBCDFAA-OAHLLOKOSA-N 1 0 386.904 4.338 20 0 GIADRO CCCOc1c(Cl)cc(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1OC ZINC000021869721 818750338 /nfs/dbraw/zinc/75/03/38/818750338.db2.gz MVMWZSJANWONRI-SFHVURJKSA-N 1 0 390.911 4.170 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(N(C)C)c(C)c1)c1cccc(OC)c1 ZINC000058124846 823363296 /nfs/dbraw/zinc/36/32/96/823363296.db2.gz OIUSMXUWARVPMM-JOCHJYFZSA-N 1 0 398.551 4.274 20 0 GIADRO CC1CC[NH+](CCCCNC(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000177069508 823363929 /nfs/dbraw/zinc/36/39/29/823363929.db2.gz ZPLNEGDXGMUVQZ-GOSISDBHSA-N 1 0 387.351 4.045 20 0 GIADRO CC(C)C[C@H](CNC(=O)NCc1ccc2cc[nH]c2n1)[NH2+][C@H](C)c1ccccc1 ZINC000460366449 823365158 /nfs/dbraw/zinc/36/51/58/823365158.db2.gz RNJRIQOACOTVNJ-DYESRHJHSA-N 1 0 393.535 4.128 20 0 GIADRO O=[S@@](CC[NH2+]C1(c2cccc(C(F)(F)F)c2)CCOCC1)c1ccccc1 ZINC000572587553 823365691 /nfs/dbraw/zinc/36/56/91/823365691.db2.gz VTPAAVKMASWXTO-MHZLTWQESA-N 1 0 397.462 4.109 20 0 GIADRO C[C@H](NC(=O)C[NH+]1CCC([C@@H]2CCCO2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000189155847 823366661 /nfs/dbraw/zinc/36/66/61/823366661.db2.gz XVAJLOVVEDIEAO-UGSOOPFHSA-N 1 0 385.335 4.062 20 0 GIADRO CS[C@@H]1CN(Cc2coc(-c3cccc(Cl)c3)n2)C[C@@H]1[NH+]1CCCC1 ZINC000460353189 823361822 /nfs/dbraw/zinc/36/18/22/823361822.db2.gz FOAAQAPRNSVDLQ-ZWKOTPCHSA-N 1 0 377.941 4.007 20 0 GIADRO CCCOc1ccc(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)cc1OCC ZINC000022682279 818842781 /nfs/dbraw/zinc/84/27/81/818842781.db2.gz LBURFFPQMISPGL-IBGZPJMESA-N 1 0 388.483 4.046 20 0 GIADRO CCCOc1ccc(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)cc1OCC ZINC000022682275 818843100 /nfs/dbraw/zinc/84/31/00/818843100.db2.gz LBURFFPQMISPGL-LJQANCHMSA-N 1 0 388.483 4.046 20 0 GIADRO COc1ccc([C@H](CNC(=O)CCc2ccc(C)cc2)[NH+]2CCCCC2)cc1 ZINC000022685864 818843729 /nfs/dbraw/zinc/84/37/29/818843729.db2.gz RCPNFTYDBBCSRO-QHCPKHFHSA-N 1 0 380.532 4.280 20 0 GIADRO Cc1sc([C@H](C)NC(=O)N[C@H](C)C[C@H](C)[NH3+])nc1-c1ccc(Cl)cc1 ZINC000572599726 823367896 /nfs/dbraw/zinc/36/78/96/823367896.db2.gz LBLNXVJJTWZPES-TUAOUCFPSA-N 1 0 380.945 4.258 20 0 GIADRO COc1cc(C(=O)NCCC[NH+]2CCCCCC2)ccc1OCc1ccccc1 ZINC000022754969 818856388 /nfs/dbraw/zinc/85/63/88/818856388.db2.gz REUAONRUJLCRRT-UHFFFAOYSA-N 1 0 396.531 4.270 20 0 GIADRO O=C(COc1cccc2ccccc21)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000022755068 818856592 /nfs/dbraw/zinc/85/65/92/818856592.db2.gz GPBPJRHWKCETJF-LJQANCHMSA-N 1 0 380.513 4.233 20 0 GIADRO Clc1ccc(-c2noc(CN3CCC[N@H+](Cc4ccccc4)CC3)n2)cc1 ZINC000022806549 818863204 /nfs/dbraw/zinc/86/32/04/818863204.db2.gz IXSZRJXUIWITAC-UHFFFAOYSA-N 1 0 382.895 4.098 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)Nc2ccc(-c3cc[nH]n3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000177092268 823369194 /nfs/dbraw/zinc/36/91/94/823369194.db2.gz LQGGRRQSKDCZFE-DYESRHJHSA-N 1 0 389.503 4.251 20 0 GIADRO C[NH+]1CCN(Cc2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)CC1 ZINC000022873495 818869155 /nfs/dbraw/zinc/86/91/55/818869155.db2.gz OHDIJLKLWOAJNY-UHFFFAOYSA-N 1 0 385.511 4.353 20 0 GIADRO COc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC([C@H]3CCCO3)CC2)cc1 ZINC000189172213 823369688 /nfs/dbraw/zinc/36/96/88/823369688.db2.gz BBTHTTYAPSIECK-DHIUTWEWSA-N 1 0 394.515 4.266 20 0 GIADRO COCc1c(-c2nc(CC34CCC[NH+]3CCC4)no2)sc2cccc(F)c21 ZINC000572622638 823370329 /nfs/dbraw/zinc/37/03/29/823370329.db2.gz PVFWKVYPXSOFDH-UHFFFAOYSA-N 1 0 387.480 4.408 20 0 GIADRO Cc1c(C(=O)NCC[NH+](C(C)C)C(C)C)cnn1-c1cccc(C(F)(F)F)c1 ZINC000022990465 818885679 /nfs/dbraw/zinc/88/56/79/818885679.db2.gz MYWHOPMYVHKNFQ-UHFFFAOYSA-N 1 0 396.457 4.048 20 0 GIADRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)c1cccc(Br)c1 ZINC000023016939 818888115 /nfs/dbraw/zinc/88/81/15/818888115.db2.gz AIXRTZRIZREUFZ-UHFFFAOYSA-N 1 0 393.350 4.153 20 0 GIADRO CSCc1c2ccccc2oc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000023133646 818902246 /nfs/dbraw/zinc/90/22/46/818902246.db2.gz UIAOCQIPEHHXAQ-UHFFFAOYSA-N 1 0 395.528 4.300 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)CCSc2ccnc3cc(Cl)ccc32)C[N@@H+]1C1CC1 ZINC000177102882 823371820 /nfs/dbraw/zinc/37/18/20/823371820.db2.gz RTJDIUUJEWKQMF-HIFRSBDPSA-N 1 0 389.952 4.112 20 0 GIADRO C[C@H](OC[C@H](O)C[NH2+]C[C@H]1CSc2ccccc21)c1ccc(Cl)cc1 ZINC000572632359 823371788 /nfs/dbraw/zinc/37/17/88/823371788.db2.gz ZOSWCNNABRNYLX-QILLFSRXSA-N 1 0 377.937 4.258 20 0 GIADRO CC(C)[NH+](CCNC(=O)Cc1csc(-c2ccc(Cl)cc2)n1)C(C)C ZINC000023179759 818905507 /nfs/dbraw/zinc/90/55/07/818905507.db2.gz TZYFUAODMJQDIM-UHFFFAOYSA-N 1 0 379.957 4.241 20 0 GIADRO CC[NH+](CC)CCOc1ccc(CNC(=O)c2c(C)[nH]c3ccccc32)cc1 ZINC000058258464 823372279 /nfs/dbraw/zinc/37/22/79/823372279.db2.gz PVHHOLIXJWWVHH-UHFFFAOYSA-N 1 0 379.504 4.127 20 0 GIADRO COc1ccc(NC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)cc1 ZINC000023233678 818915201 /nfs/dbraw/zinc/91/52/01/818915201.db2.gz SAUKROGYXRWJHD-UHFFFAOYSA-N 1 0 375.472 4.198 20 0 GIADRO O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CCC([C@H](O)c2ccccc2)CC1 ZINC000023385196 818931059 /nfs/dbraw/zinc/93/10/59/818931059.db2.gz MFWDHFBDRGNIGY-XMMPIXPASA-N 1 0 392.543 4.258 20 0 GIADRO CC(=O)c1cccc(OC[C@H](O)C[NH2+]C(c2ccccc2)c2ccccc2)c1 ZINC000023387296 818932474 /nfs/dbraw/zinc/93/24/74/818932474.db2.gz PAHZTVRJCKIYKR-JOCHJYFZSA-N 1 0 375.468 4.008 20 0 GIADRO Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000023480195 818945216 /nfs/dbraw/zinc/94/52/16/818945216.db2.gz MUFUOTNAHSYGGI-NRFANRHFSA-N 1 0 394.950 4.257 20 0 GIADRO COc1ccc([C@H](CNC(=O)COc2ccccc2C(C)C)[NH+]2CCCC2)cc1 ZINC000023486186 818945881 /nfs/dbraw/zinc/94/58/81/818945881.db2.gz TZIGBGYZMXYYAW-QFIPXVFZSA-N 1 0 396.531 4.151 20 0 GIADRO COc1ccc([C@@H](CNC(=O)CCCOc2cccc(C)c2)[NH+]2CCCC2)cc1 ZINC000023486875 818945961 /nfs/dbraw/zinc/94/59/61/818945961.db2.gz HRIODWKQMKUDJF-HSZRJFAPSA-N 1 0 396.531 4.116 20 0 GIADRO Cc1nc(COC(C)(C)C)oc1C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000572650879 823375522 /nfs/dbraw/zinc/37/55/22/823375522.db2.gz BHCZLYGKHWDARX-GOSISDBHSA-N 1 0 391.556 4.026 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(COC)o1)c1ccc(C(F)(F)F)cc1 ZINC000122574875 823375589 /nfs/dbraw/zinc/37/55/89/823375589.db2.gz QIJBKCDHZHUVQA-QGZVFWFLSA-N 1 0 398.425 4.258 20 0 GIADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2ccccc2NC(=O)c2ccsc2)C1 ZINC000058296218 823375703 /nfs/dbraw/zinc/37/57/03/823375703.db2.gz CJNWJWXOGBRDFV-QGZVFWFLSA-N 1 0 399.560 4.242 20 0 GIADRO Cc1cc([C@H]([NH2+]CC2(CO)CCOCC2)c2cccc(Cl)c2)c(C)s1 ZINC000572651569 823375801 /nfs/dbraw/zinc/37/58/01/823375801.db2.gz HJLXLJHRQDBNEC-LJQANCHMSA-N 1 0 379.953 4.486 20 0 GIADRO O=C(c1ccccc1NCc1cccnc1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000177120406 823375904 /nfs/dbraw/zinc/37/59/04/823375904.db2.gz DUURNMZCDUGJCR-UHFFFAOYSA-N 1 0 392.547 4.032 20 0 GIADRO Cc1csc(SCc2ccccc2C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)n1 ZINC000058299281 823376143 /nfs/dbraw/zinc/37/61/43/823376143.db2.gz JGHIKRUNIMXLKZ-ROUUACIJSA-N 1 0 387.574 4.100 20 0 GIADRO CCc1ccc([C@H](CNC(=O)N2C[C@H](C)O[C@@H](c3ccccc3)C2)[NH+](C)C)cc1 ZINC000410036558 823376440 /nfs/dbraw/zinc/37/64/40/823376440.db2.gz FDCNJWDNUOETGU-OFAXGOBFSA-N 1 0 395.547 4.023 20 0 GIADRO O=C(Nc1ccc(Br)c(F)c1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000460406699 823378723 /nfs/dbraw/zinc/37/87/23/823378723.db2.gz SKJZPEQYORUESD-QGZVFWFLSA-N 1 0 377.257 4.191 20 0 GIADRO Cc1c(C)n(C2CCCCC2)c(=S)n1CN1CCN(c2cc[nH+]cc2)CC1 ZINC000023848596 818986011 /nfs/dbraw/zinc/98/60/11/818986011.db2.gz KPTOFSMENAMJEW-UHFFFAOYSA-N 1 0 385.581 4.316 20 0 GIADRO CN(C)C(=O)Sc1cccc(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)c1 ZINC000177126534 823377694 /nfs/dbraw/zinc/37/76/94/823377694.db2.gz QYQBTDKHEZDNNJ-IBGZPJMESA-N 1 0 392.565 4.010 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)Nc2cccc(-c3nnc(C)o3)c2)cc1)C1CC1 ZINC000460405318 823378306 /nfs/dbraw/zinc/37/83/06/823378306.db2.gz PCPJVQUVXMNQRZ-UHFFFAOYSA-N 1 0 376.460 4.282 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)CCSc1ccc(C)cc1)[NH+]1CCCC1 ZINC000023982286 819002213 /nfs/dbraw/zinc/00/22/13/819002213.db2.gz OWAMBKOOLSLENI-NRFANRHFSA-N 1 0 398.572 4.439 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)COc1ccccc1C(C)C)[NH+]1CCCC1 ZINC000023985277 819002399 /nfs/dbraw/zinc/00/23/99/819002399.db2.gz KPMZZDBJFCAANB-OAQYLSRUSA-N 1 0 396.531 4.151 20 0 GIADRO CCCOc1ccc(C[NH2+][C@H](C)CC(=O)Nc2cccnc2Cl)c(C)c1 ZINC000189269289 823383885 /nfs/dbraw/zinc/38/38/85/823383885.db2.gz ZTGPTVQABJUYRD-OAHLLOKOSA-N 1 0 375.900 4.339 20 0 GIADRO Cc1nc(CC[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)sc1C ZINC000122603642 823379965 /nfs/dbraw/zinc/37/99/65/823379965.db2.gz HCHXHDRJXSYKBB-UHFFFAOYSA-N 1 0 380.439 4.297 20 0 GIADRO CC(=O)c1c(C)[nH]c(C(=O)N[C@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)c1C ZINC000410050991 823380086 /nfs/dbraw/zinc/38/00/86/823380086.db2.gz VPIJENFAEBPCOX-HXUWFJFHSA-N 1 0 395.547 4.037 20 0 GIADRO Clc1ccccc1[C@@H](C[NH2+]Cc1cnn(-c2ccccc2)c1)N1CCCC1 ZINC000024082037 819020447 /nfs/dbraw/zinc/02/04/47/819020447.db2.gz SGVGCNSANFUKAI-JOCHJYFZSA-N 1 0 380.923 4.452 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc(F)cc1OCCC(F)(F)F ZINC000410051537 823380485 /nfs/dbraw/zinc/38/04/85/823380485.db2.gz HETLZNBJHORQPL-CYBMUJFWSA-N 1 0 391.409 4.153 20 0 GIADRO Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000024114442 819026320 /nfs/dbraw/zinc/02/63/20/819026320.db2.gz HTDUMUMRCXKJCW-KRWDZBQOSA-N 1 0 386.923 4.328 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)N1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000410052615 823380680 /nfs/dbraw/zinc/38/06/80/823380680.db2.gz KGLSMMZSIWTBSX-AUSIDOKSSA-N 1 0 395.547 4.200 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)N1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000410052617 823380816 /nfs/dbraw/zinc/38/08/16/823380816.db2.gz KGLSMMZSIWTBSX-WMZHIEFXSA-N 1 0 395.547 4.200 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)N2C[C@H](C)O[C@@H](c3ccccc3)C2)cc1 ZINC000410053173 823380903 /nfs/dbraw/zinc/38/09/03/823380903.db2.gz LJZDLFYVJMHQBM-WMZHIEFXSA-N 1 0 395.547 4.200 20 0 GIADRO CCOCCC1(CNC(=O)NC2CC[NH+](C3CCCCC3)CC2)CCCC1 ZINC000122625064 823383656 /nfs/dbraw/zinc/38/36/56/823383656.db2.gz WBEJQOCDSDZZTD-UHFFFAOYSA-N 1 0 379.589 4.070 20 0 GIADRO Cc1nc2cc(C(=O)N(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)ccc2n1Cc1ccsc1 ZINC000410070506 823383690 /nfs/dbraw/zinc/38/36/90/823383690.db2.gz YERYESFXCMWLIU-DNVCBOLYSA-N 1 0 396.560 4.009 20 0 GIADRO Cc1nc2cc(NC(=O)N3CC[N@H+](Cc4ccccc4)C[C@H](C)C3)ccc2o1 ZINC000572695602 823384574 /nfs/dbraw/zinc/38/45/74/823384574.db2.gz ZZGHUQSUEYATGD-INIZCTEOSA-N 1 0 378.476 4.122 20 0 GIADRO C[C@H]([NH2+]Cc1cnn(Cc2ccc(F)cc2)c1)c1ccccc1-n1cccn1 ZINC000189295569 823389348 /nfs/dbraw/zinc/38/93/48/823389348.db2.gz KKTHZDHQPZCKCE-KRWDZBQOSA-N 1 0 375.451 4.107 20 0 GIADRO CCS[C@H]1CC[C@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000177157219 823386161 /nfs/dbraw/zinc/38/61/61/823386161.db2.gz PIEUWGGDUTUPDF-PMACEKPBSA-N 1 0 375.582 4.098 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)CCOc2c(C)cccc2C)CC1 ZINC000058400186 823386233 /nfs/dbraw/zinc/38/62/33/823386233.db2.gz VVJRLVJVGVYKDX-UHFFFAOYSA-N 1 0 380.532 4.162 20 0 GIADRO CC(C)c1ccccc1OC[C@H](O)C[NH2+]Cc1cccc(NC(=O)C2CCC2)c1 ZINC000572714002 823387800 /nfs/dbraw/zinc/38/78/00/823387800.db2.gz RSYPGUDWCVAASF-OAQYLSRUSA-N 1 0 396.531 4.078 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)C(C)(C)Sc2ccc(Br)cc2)CC[N@@H+]1C ZINC000122673911 823391987 /nfs/dbraw/zinc/39/19/87/823391987.db2.gz BAEWZARZXMDHBS-DZGCQCFKSA-N 1 0 399.398 4.261 20 0 GIADRO CC[C@@H](NC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1)c1nccs1 ZINC000122677097 823392607 /nfs/dbraw/zinc/39/26/07/823392607.db2.gz XITHMDYQULDRQF-LJQANCHMSA-N 1 0 386.565 4.326 20 0 GIADRO O=C(NCC1CCC(F)(F)CC1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000410106087 823393238 /nfs/dbraw/zinc/39/32/38/823393238.db2.gz FVLXNTUHWUQHCY-INIZCTEOSA-N 1 0 385.524 4.085 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+]CCOc2cc(F)cc(Br)c2)c1 ZINC000189320398 823393324 /nfs/dbraw/zinc/39/33/24/823393324.db2.gz QVZKVEDQUKSEEE-LBPRGKRZSA-N 1 0 395.272 4.276 20 0 GIADRO CN(C(=O)Nc1ccsc1Cl)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000189300223 823390037 /nfs/dbraw/zinc/39/00/37/823390037.db2.gz LSFWEZALVMRCBX-IRXDYDNUSA-N 1 0 399.004 4.202 20 0 GIADRO CCN1CCC([NH+]2CCC(C(=O)N[C@@H](c3ccccc3)C(C)(C)C)CC2)CC1 ZINC000572734024 823390738 /nfs/dbraw/zinc/39/07/38/823390738.db2.gz TVJCGLTZBBFVHY-QFIPXVFZSA-N 1 0 385.596 4.086 20 0 GIADRO Cc1cccc([C@H](C)C(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)c1 ZINC000122671881 823391478 /nfs/dbraw/zinc/39/14/78/823391478.db2.gz NDGXGTVQJWKJAU-VQTJNVASSA-N 1 0 380.532 4.115 20 0 GIADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1ccsc1Cl ZINC000189307161 823391594 /nfs/dbraw/zinc/39/15/94/823391594.db2.gz WKIGCHJAHBDIOP-OAHLLOKOSA-N 1 0 378.929 4.315 20 0 GIADRO CC1CC[NH+]([C@@H](CNC(=O)N[C@@H]2CCCC23CCOCC3)c2ccccc2)CC1 ZINC000410108639 823394100 /nfs/dbraw/zinc/39/41/00/823394100.db2.gz WRCFIWXDWSNVRK-FCHUYYIVSA-N 1 0 399.579 4.108 20 0 GIADRO C[C@@H]1CCN(C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000410131606 823398397 /nfs/dbraw/zinc/39/83/97/823398397.db2.gz RIUFXRZLTDQQSF-QGPMSJSTSA-N 1 0 383.458 4.140 20 0 GIADRO CC(C)(CCc1ccccc1)[NH2+]CC(=O)N[C@H](c1nccs1)c1ccccc1 ZINC000177187361 823394718 /nfs/dbraw/zinc/39/47/18/823394718.db2.gz WOFNOMFRZBKWAX-NRFANRHFSA-N 1 0 393.556 4.350 20 0 GIADRO CC(C)c1nn(-c2ccccc2)cc1C[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000572764094 823394724 /nfs/dbraw/zinc/39/47/24/823394724.db2.gz HAYFKXYBNGPXNB-FPOVZHCZSA-N 1 0 381.545 4.265 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1F)c1ccc2c(c1)OCC(=O)N2 ZINC000572768368 823395493 /nfs/dbraw/zinc/39/54/93/823395493.db2.gz HFEBKKGEKALBHN-QWRGUYRKSA-N 1 0 393.256 4.331 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)Nc2cc(OC)cc(OC)c2)CC1 ZINC000122692958 823395865 /nfs/dbraw/zinc/39/58/65/823395865.db2.gz VSJBGRNCBMHLHI-UHFFFAOYSA-N 1 0 377.529 4.070 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1cccc(NC(=O)OC(C)(C)C)c1)C1CCCCC1 ZINC000060553311 823541675 /nfs/dbraw/zinc/54/16/75/823541675.db2.gz IXYACYRTHKMOPH-LJQANCHMSA-N 1 0 389.540 4.274 20 0 GIADRO COc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2cc3cc(C)ccc3o2)c(OC)c1 ZINC000572782100 823397910 /nfs/dbraw/zinc/39/79/10/823397910.db2.gz JQORNGHUTNYGCK-OAHLLOKOSA-N 1 0 382.460 4.265 20 0 GIADRO COc1cc(OC)cc([C@H]([NH2+][C@@H](C)CCc2ccccc2)c2nccn2C)c1 ZINC000177202780 823398218 /nfs/dbraw/zinc/39/82/18/823398218.db2.gz NVXLNIDSXZXFOZ-JTSKRJEESA-N 1 0 379.504 4.138 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](c1ccccc1Cl)N1CCOCC1)c1ccnc(Cl)c1 ZINC000122720447 823399984 /nfs/dbraw/zinc/39/99/84/823399984.db2.gz PYAVSHXGJGDZSD-KDOFPFPSSA-N 1 0 380.319 4.113 20 0 GIADRO Cc1cccc(C2(C(=O)NC3CC[NH+](Cc4ccncc4)CC3)CCCCC2)c1 ZINC000058497551 823400371 /nfs/dbraw/zinc/40/03/71/823400371.db2.gz XZKGBTQMZFREHM-UHFFFAOYSA-N 1 0 391.559 4.373 20 0 GIADRO CCN(CC)[C@H](C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)c1ccsc1 ZINC000177212293 823400654 /nfs/dbraw/zinc/40/06/54/823400654.db2.gz AKBDCGVGRPNRTN-GOSISDBHSA-N 1 0 381.586 4.120 20 0 GIADRO Fc1ccc(Cn2cc(C[NH2+][C@@H](C[C@H]3CCOC3)c3ccccc3)cn2)cc1 ZINC000189360648 823400780 /nfs/dbraw/zinc/40/07/80/823400780.db2.gz UKIXHPSQCFXPCN-XXBNENTESA-N 1 0 379.479 4.328 20 0 GIADRO CCOC(=O)N1CCC([C@@H](C)[NH2+]Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000189376639 823403718 /nfs/dbraw/zinc/40/37/18/823403718.db2.gz FGRMVVLEUIFORY-CQSZACIVSA-N 1 0 391.512 4.296 20 0 GIADRO C[C@@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C(F)(F)F)cc1 ZINC000410146721 823401292 /nfs/dbraw/zinc/40/12/92/823401292.db2.gz BQQPFSKLVDBLKO-BEFAXECRSA-N 1 0 391.437 4.340 20 0 GIADRO C[C@H](NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)c1ccc(F)cc1F ZINC000460476757 823402230 /nfs/dbraw/zinc/40/22/30/823402230.db2.gz QFTHNRHDJHVVRF-WDSOQIARSA-N 1 0 399.485 4.189 20 0 GIADRO COc1cc(C[N@H+](C)C[C@@H](O)COc2c(C)ccc(C)c2C)ccc1SC ZINC000058528256 823404073 /nfs/dbraw/zinc/40/40/73/823404073.db2.gz MCCGBBMQGLTBDV-LJQANCHMSA-N 1 0 389.561 4.214 20 0 GIADRO COc1ccc(C(=O)Nc2cccc3c2OCC[C@@H]3[NH+](C)C)c2ccccc12 ZINC000572808765 823402892 /nfs/dbraw/zinc/40/28/92/823402892.db2.gz DHNDMKCSUCAVPI-FQEVSTJZSA-N 1 0 376.456 4.486 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Nc1ccc(N(C)C)cc1 ZINC000058520893 823403272 /nfs/dbraw/zinc/40/32/72/823403272.db2.gz GNECDMVSMFGQDE-GOSISDBHSA-N 1 0 380.536 4.449 20 0 GIADRO CC(=O)c1cccc(NC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000058522258 823403402 /nfs/dbraw/zinc/40/34/02/823403402.db2.gz RLCNTOXQPKMYRX-QGZVFWFLSA-N 1 0 379.504 4.443 20 0 GIADRO COc1ccc(NC(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)c(OC)c1 ZINC000058522782 823403454 /nfs/dbraw/zinc/40/34/54/823403454.db2.gz XQLDIBBQRLOHTC-QGZVFWFLSA-N 1 0 397.519 4.400 20 0 GIADRO COc1ccc(NC(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)cc1OC ZINC000058522396 823403501 /nfs/dbraw/zinc/40/35/01/823403501.db2.gz KJHCONXCRNGVEZ-QGZVFWFLSA-N 1 0 397.519 4.400 20 0 GIADRO COc1ccc(C[C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3ccc(Cl)cn3)C2)cc1 ZINC000572813590 823404302 /nfs/dbraw/zinc/40/43/02/823404302.db2.gz AQDWBGCCLUQUSD-WBVHZDCISA-N 1 0 387.911 4.025 20 0 GIADRO Cc1cc(C)n(-c2ccc(C[NH2+][C@@H](C)c3ccc(Br)cc3)cn2)n1 ZINC000177227145 823404536 /nfs/dbraw/zinc/40/45/36/823404536.db2.gz LLZFGPPXSKXESI-HNNXBMFYSA-N 1 0 385.309 4.497 20 0 GIADRO CCOC(=O)N1CCC([C@@H](C)[NH2+]Cc2cccc(OCc3ccccn3)c2)CC1 ZINC000189382009 823404864 /nfs/dbraw/zinc/40/48/64/823404864.db2.gz VDGGJQWUABQVLY-GOSISDBHSA-N 1 0 397.519 4.007 20 0 GIADRO COc1ccc2c(c1)C1(CC1)CN(C(=O)NCC1CC[NH+](CCC(C)C)CC1)C2 ZINC000460488412 823405744 /nfs/dbraw/zinc/40/57/44/823405744.db2.gz BOYVHUNCRZJBJA-UHFFFAOYSA-N 1 0 399.579 4.010 20 0 GIADRO O=C(NCC1(c2ccccc2)CCC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000058538411 823405758 /nfs/dbraw/zinc/40/57/58/823405758.db2.gz ZCSRIPCATPOWJC-UHFFFAOYSA-N 1 0 377.532 4.072 20 0 GIADRO CC(C)[C@H](CC1CCCCC1)C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000460488930 823406155 /nfs/dbraw/zinc/40/61/55/823406155.db2.gz JEIIZBUJCJURIE-QFIPXVFZSA-N 1 0 391.644 4.296 20 0 GIADRO Fc1ccc(Cn2cc(C[NH2+][C@H]3CCO[C@@H]3c3ccc(Cl)cc3)cn2)cc1 ZINC000189387813 823406240 /nfs/dbraw/zinc/40/62/40/823406240.db2.gz AWTBNCMLQXCNED-LEWJYISDSA-N 1 0 385.870 4.344 20 0 GIADRO O=C(CCC(=O)c1ccc(Cl)cc1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177235811 823406309 /nfs/dbraw/zinc/40/63/09/823406309.db2.gz XORQFGNNUUQPFX-UHFFFAOYSA-N 1 0 376.928 4.216 20 0 GIADRO Cc1cc(F)c(Br)cc1NC1CC[NH+](Cc2ccccn2)CC1 ZINC000189389305 823406642 /nfs/dbraw/zinc/40/66/42/823406642.db2.gz DGNNMJWTWJMWLI-UHFFFAOYSA-N 1 0 378.289 4.368 20 0 GIADRO Cc1cccc(-c2nnc(N3CCC[C@H](C[NH+]4CCCCCC4)C3)n2C(C)C)n1 ZINC000572832213 823406948 /nfs/dbraw/zinc/40/69/48/823406948.db2.gz QBRAOMLDAXCIBX-HXUWFJFHSA-N 1 0 396.583 4.322 20 0 GIADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1cnc(-c2ccsc2)s1 ZINC000177238686 823407295 /nfs/dbraw/zinc/40/72/95/823407295.db2.gz AMJLUBKJKQUEQY-UHFFFAOYSA-N 1 0 375.563 4.399 20 0 GIADRO CCC(CC)[C@@H]1C[C@@H]([NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)CCO1 ZINC000189393698 823407501 /nfs/dbraw/zinc/40/75/01/823407501.db2.gz BFNHMZNBRBBZDI-HKDCCESQSA-N 1 0 398.547 4.167 20 0 GIADRO CC[C@H](C)n1c2ccc(NC(=O)N3CCC[N@H+](C)CC3)cc2nc1C(F)(F)F ZINC000572835959 823407725 /nfs/dbraw/zinc/40/77/25/823407725.db2.gz RWXNKWKETSFAND-ZDUSSCGKSA-N 1 0 397.445 4.196 20 0 GIADRO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)Cc1ccc(Cl)s1 ZINC000189396683 823407884 /nfs/dbraw/zinc/40/78/84/823407884.db2.gz ULORQGLWUHMLSL-ZDUSSCGKSA-N 1 0 384.954 4.134 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)CCc2cccc(N(C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000189411305 823410698 /nfs/dbraw/zinc/41/06/98/823410698.db2.gz RCPDSMSQJPSEHV-YKSBVNFPSA-N 1 0 393.575 4.197 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)CCc2cccc(N(C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000189411325 823410756 /nfs/dbraw/zinc/41/07/56/823410756.db2.gz RCPDSMSQJPSEHV-RDPSFJRHSA-N 1 0 393.575 4.197 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+]CC(C)(C)Oc2cc(F)cc(F)c2)s1 ZINC000572864846 823411223 /nfs/dbraw/zinc/41/12/23/823411223.db2.gz INIKZZHWKQGVRT-LBPRGKRZSA-N 1 0 384.492 4.427 20 0 GIADRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCSc3cc(Cl)ccc3Cl)[C@H]2C1 ZINC000572864034 823411250 /nfs/dbraw/zinc/41/12/50/823411250.db2.gz PZIVJWPMWLWOOD-QRTARXTBSA-N 1 0 387.376 4.322 20 0 GIADRO CN(Cc1csc(Br)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177258207 823412007 /nfs/dbraw/zinc/41/20/07/823412007.db2.gz WSGZLAWUFOXVKJ-UHFFFAOYSA-N 1 0 394.382 4.045 20 0 GIADRO COc1ccc2ccccc2c1CNC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000410186281 823413938 /nfs/dbraw/zinc/41/39/38/823413938.db2.gz DKYXLOXBFOKTPU-OAQYLSRUSA-N 1 0 395.478 4.090 20 0 GIADRO CC(C)Oc1ccccc1NC(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000572850774 823409129 /nfs/dbraw/zinc/40/91/29/823409129.db2.gz FDQNOKPRGZIELI-PKOBYXMFSA-N 1 0 385.483 4.128 20 0 GIADRO Cc1c([C@H](C)[NH2+]CCc2ccc(Cl)nc2)nnn1-c1ccc(Cl)cc1 ZINC000122774742 823410263 /nfs/dbraw/zinc/41/02/63/823410263.db2.gz IXFDBLPTNSFJRD-LBPRGKRZSA-N 1 0 376.291 4.171 20 0 GIADRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H](CN(C)C)c2ccc(F)cc2)c2ccccc21 ZINC000572890985 823415082 /nfs/dbraw/zinc/41/50/82/823415082.db2.gz QOHIEEWHIKYTRZ-VSKRKVRLSA-N 1 0 384.495 4.200 20 0 GIADRO COc1ccc(C[NH2+][C@H](C)[C@@H](OC2CCOCC2)c2ccccc2)c(OC)c1 ZINC000122803482 823415357 /nfs/dbraw/zinc/41/53/57/823415357.db2.gz HSFRMWAYNBCXOW-UZUQRXQVSA-N 1 0 385.504 4.119 20 0 GIADRO C[C@H]([NH2+]CC(C)(C)c1ccc2c(c1)OCO2)c1ccc(N2CCOC2=O)cc1 ZINC000122811284 823416404 /nfs/dbraw/zinc/41/64/04/823416404.db2.gz HBHLFFVZOXKMLG-HNNXBMFYSA-N 1 0 382.460 4.000 20 0 GIADRO CC[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)s1)c1ccc(OC(F)(F)F)cc1 ZINC000572906897 823417581 /nfs/dbraw/zinc/41/75/81/823417581.db2.gz RIJLKCAMZAYTJT-AWEZNQCLSA-N 1 0 393.452 4.291 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCC(C)(C3CC3)CC2)[C@@H]1c1cccs1 ZINC000460525113 823419348 /nfs/dbraw/zinc/41/93/48/823419348.db2.gz HOLXIFOBIPBJKA-QFBILLFUSA-N 1 0 375.582 4.353 20 0 GIADRO C[C@H]([NH2+]C1(CNc2ncccc2Br)CCOCC1)c1ccccc1 ZINC000572907914 823417877 /nfs/dbraw/zinc/41/78/77/823417877.db2.gz IEBPEJOCDKXGNY-HNNXBMFYSA-N 1 0 390.325 4.156 20 0 GIADRO COc1cc(C[NH2+]CCc2nc(C)c(C)s2)ccc1OCc1ccncc1 ZINC000122859068 823424813 /nfs/dbraw/zinc/42/48/13/823424813.db2.gz VKPUOTPYFGNBIS-UHFFFAOYSA-N 1 0 383.517 4.075 20 0 GIADRO CC1(C)[C@H]([NH2+]C2CCN(CC(=O)Nc3ccccc3)CC2)C[C@H]1c1ccccc1 ZINC000122858768 823424888 /nfs/dbraw/zinc/42/48/88/823424888.db2.gz RBRTYFAODFNVQH-XZOQPEGZSA-N 1 0 391.559 4.261 20 0 GIADRO COc1ccc(C[C@H](CO)C[NH2+]CCCc2c(Cl)cccc2Cl)cc1O ZINC000572921499 823420002 /nfs/dbraw/zinc/42/00/02/823420002.db2.gz NOTOPSOGWLFQLB-HNNXBMFYSA-N 1 0 398.330 4.081 20 0 GIADRO COc1ccc2ccccc2c1CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000410208781 823420485 /nfs/dbraw/zinc/42/04/85/823420485.db2.gz ZRGJQJJNEXZJDK-FQEVSTJZSA-N 1 0 393.487 4.078 20 0 GIADRO C[C@@H]1CCN(C(=O)Nc2ccc3c(c2)C(=O)CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000177295279 823424493 /nfs/dbraw/zinc/42/44/93/823424493.db2.gz AUWPPDWZWAJAGP-GOSISDBHSA-N 1 0 391.515 4.334 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CC[C@H](c2ccccc2)[C@H]1C ZINC000177283377 823420619 /nfs/dbraw/zinc/42/06/19/823420619.db2.gz GISQLYMCHPYEPG-KNQAVFIVSA-N 1 0 392.547 4.157 20 0 GIADRO C[C@H](CNC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)Cc1cccs1 ZINC000460528751 823420954 /nfs/dbraw/zinc/42/09/54/823420954.db2.gz QFJXJPFTXPLEKD-SESVDKBCSA-N 1 0 397.588 4.090 20 0 GIADRO Fc1ccc([C@H]([NH2+]CCCc2nnc3n2CCCCC3)c2ccccc2)cc1 ZINC000177284294 823421033 /nfs/dbraw/zinc/42/10/33/823421033.db2.gz MATDDRMLYZLOKK-HSZRJFAPSA-N 1 0 378.495 4.455 20 0 GIADRO CC(C)Oc1ccc(CNC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000410225942 823425228 /nfs/dbraw/zinc/42/52/28/823425228.db2.gz BGNURPUIJKFMGC-QFIPXVFZSA-N 1 0 381.520 4.110 20 0 GIADRO C[C@H]1C[C@H](NC(=O)N(CCC(F)(F)F)CC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000177304635 823427380 /nfs/dbraw/zinc/42/73/80/823427380.db2.gz LKNMIHHJSMFJBR-QFBILLFUSA-N 1 0 397.485 4.414 20 0 GIADRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)Nc1ccc2c(c1)C(=O)CCC2 ZINC000177305781 823428084 /nfs/dbraw/zinc/42/80/84/823428084.db2.gz DXARJJRAMFYWDG-UHFFFAOYSA-N 1 0 397.544 4.301 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC000177306052 823428102 /nfs/dbraw/zinc/42/81/02/823428102.db2.gz QZBYWHDWGVSYRZ-UHFFFAOYSA-N 1 0 379.504 4.321 20 0 GIADRO Cc1ccc(-c2ncccc2NC(=O)N(CC[NH+](C)C)Cc2ccccn2)s1 ZINC000189487948 823428394 /nfs/dbraw/zinc/42/83/94/823428394.db2.gz PIMXVJDBPMZYQY-UHFFFAOYSA-N 1 0 395.532 4.109 20 0 GIADRO CCN1CCC([NH+]2CCC(C(=O)Nc3ccc(C(=O)C(C)(C)C)cc3)CC2)CC1 ZINC000572972716 823428653 /nfs/dbraw/zinc/42/86/53/823428653.db2.gz APXKOHZCBJVPHO-UHFFFAOYSA-N 1 0 399.579 4.050 20 0 GIADRO Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000572975373 823428938 /nfs/dbraw/zinc/42/89/38/823428938.db2.gz HDFGZCFBXHZROY-ZCNNSNEGSA-N 1 0 383.561 4.028 20 0 GIADRO Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000177314782 823430557 /nfs/dbraw/zinc/43/05/57/823430557.db2.gz QJYZDWRTSMNVHD-UHFFFAOYSA-N 1 0 382.895 4.456 20 0 GIADRO CC[NH+]1CCC(CNC(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2C)CC1 ZINC000572987971 823430634 /nfs/dbraw/zinc/43/06/34/823430634.db2.gz VFPDVGDXFNVXIY-UHFFFAOYSA-N 1 0 394.519 4.101 20 0 GIADRO CC(C)OCc1ccccc1C[NH2+]Cc1c(Cl)cccc1N1CCOCC1 ZINC000572989628 823430639 /nfs/dbraw/zinc/43/06/39/823430639.db2.gz XFFLTINJOIFYKS-UHFFFAOYSA-N 1 0 388.939 4.391 20 0 GIADRO Cc1nc(-c2ccc(C)cc2C)sc1C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000572999322 823431742 /nfs/dbraw/zinc/43/17/42/823431742.db2.gz RMYHJOFQCCTXJI-QZTJIDSGSA-N 1 0 383.561 4.197 20 0 GIADRO Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N[C@@H](C)CCC[NH3+])cc1C ZINC000572999991 823432063 /nfs/dbraw/zinc/43/20/63/823432063.db2.gz GRSVAMHWQYCTDM-IBGZPJMESA-N 1 0 390.531 4.072 20 0 GIADRO CN(C(=O)NCc1ccc(C[NH+](C)C)c(F)c1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000460557937 823432264 /nfs/dbraw/zinc/43/22/64/823432264.db2.gz VSZDUJGBRFALKK-IYBDPMFKSA-N 1 0 389.437 4.150 20 0 GIADRO COC(=O)[C@@H](NCc1ccccc1C[N@@H+]1CCCC[C@H]1C)c1ccc(F)cc1 ZINC000573012158 823433378 /nfs/dbraw/zinc/43/33/78/823433378.db2.gz BNKKDARXWVEZEM-VGSWGCGISA-N 1 0 384.495 4.204 20 0 GIADRO O=S1(=O)CCC[C@H](C[NH2+]Cc2c(Cl)cccc2Oc2ccccc2)C1 ZINC000573011667 823433442 /nfs/dbraw/zinc/43/34/42/823433442.db2.gz HYBCRQPGQAXRQZ-OAHLLOKOSA-N 1 0 379.909 4.047 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)c1cnn(-c2ccccc2F)c1 ZINC000058696563 823433547 /nfs/dbraw/zinc/43/35/47/823433547.db2.gz GQIARMMZWVVUGP-UHFFFAOYSA-N 1 0 392.478 4.292 20 0 GIADRO Oc1ccc(C2=CC[N@H+](C[C@@H](O)COc3cccc4ccccc43)CC2)cc1 ZINC000024751735 819873320 /nfs/dbraw/zinc/87/33/20/819873320.db2.gz ILVZYVBBENXYBF-JOCHJYFZSA-N 1 0 375.468 4.074 20 0 GIADRO Oc1ccc(C2=CC[N@H+](C[C@H](O)COc3cccc4ccccc43)CC2)cc1 ZINC000024751740 819873617 /nfs/dbraw/zinc/87/36/17/819873617.db2.gz ILVZYVBBENXYBF-QFIPXVFZSA-N 1 0 375.468 4.074 20 0 GIADRO COc1cc2c(cc1OC)[C@H](c1cccs1)[N@H+](CCc1ccccn1)CC2 ZINC000024786797 819876634 /nfs/dbraw/zinc/87/66/34/819876634.db2.gz SQXPEKCTLCICFR-JOCHJYFZSA-N 1 0 380.513 4.351 20 0 GIADRO O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000024804466 819878743 /nfs/dbraw/zinc/87/87/43/819878743.db2.gz AOFOFGLWTGKYKS-MRXNPFEDSA-N 1 0 378.394 4.436 20 0 GIADRO COc1cc(C)c(C[N@H+](C)CCC(=O)Nc2ccccc2Cl)cc1OC ZINC000024804429 819878872 /nfs/dbraw/zinc/87/88/72/819878872.db2.gz DLIZYGYIQQWGJC-UHFFFAOYSA-N 1 0 376.884 4.126 20 0 GIADRO CC(C)c1ccc(-c2noc(CCC(=O)Nc3ccccc3C[NH+](C)C)n2)cc1 ZINC000024809181 819879696 /nfs/dbraw/zinc/87/96/96/819879696.db2.gz CPUXHCINTOIRQM-UHFFFAOYSA-N 1 0 392.503 4.493 20 0 GIADRO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000573027252 823436146 /nfs/dbraw/zinc/43/61/46/823436146.db2.gz SJVAWHBAFPPYEP-ZCNNSNEGSA-N 1 0 398.497 4.487 20 0 GIADRO CC[NH+](CC)[C@@H](C(=O)N1CCC[C@H](c2ncc3n2CCCC3)C1)c1ccccc1 ZINC000410256966 823436480 /nfs/dbraw/zinc/43/64/80/823436480.db2.gz PWWINTJJMQYMIJ-RBBKRZOGSA-N 1 0 394.563 4.009 20 0 GIADRO CC[NH+]1CCC(CNC(=O)c2sc(-c3ccc(Cl)s3)nc2C)CC1 ZINC000573030938 823436764 /nfs/dbraw/zinc/43/67/64/823436764.db2.gz JNGQANVOVUFSQB-UHFFFAOYSA-N 1 0 383.970 4.295 20 0 GIADRO C[C@@H]1CCCC[C@@H]1CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000573035935 823437669 /nfs/dbraw/zinc/43/76/69/823437669.db2.gz GKIVDEHUROTHOU-MZYLBHOOSA-N 1 0 398.591 4.248 20 0 GIADRO O=C(c1ccccc1)C1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1 ZINC000025055802 819916464 /nfs/dbraw/zinc/91/64/64/819916464.db2.gz LAPYKIIPSKWTIQ-UHFFFAOYSA-N 1 0 381.501 4.326 20 0 GIADRO CCCC(=O)Nc1cccc(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1C ZINC000189527813 823437908 /nfs/dbraw/zinc/43/79/08/823437908.db2.gz SIGGNAYTKQKXSL-RBBKRZOGSA-N 1 0 394.519 4.301 20 0 GIADRO O=C(Nc1cccnc1-c1ccc(Cl)s1)N1CCC([NH+]2CC=CC2)CC1 ZINC000189532125 823438583 /nfs/dbraw/zinc/43/85/83/823438583.db2.gz QRRWRUCZTZIBFP-UHFFFAOYSA-N 1 0 388.924 4.332 20 0 GIADRO Cc1ccncc1CCC[NH2+]Cc1ccccc1-c1ccc(Cn2cncn2)cc1 ZINC000573045618 823439305 /nfs/dbraw/zinc/43/93/05/823439305.db2.gz XVBYVVRVNZLWMI-UHFFFAOYSA-N 1 0 397.526 4.419 20 0 GIADRO Cc1ccc(C)c(OCC[N@H+](Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)c1 ZINC000025183082 819939979 /nfs/dbraw/zinc/93/99/79/819939979.db2.gz RLOFKJBVGJXGCH-UHFFFAOYSA-N 1 0 378.516 4.239 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCSc2ccc(Cl)cc21)C(=O)NC(=O)NC1CCCCC1 ZINC000025215899 819944248 /nfs/dbraw/zinc/94/42/48/819944248.db2.gz QJLGUORGLKJWBI-MLGOLLRUSA-N 1 0 395.956 4.014 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCSc2ccc(Cl)cc21)C(=O)NCc1ccc(F)cc1 ZINC000025216876 819944965 /nfs/dbraw/zinc/94/49/65/819944965.db2.gz AENUQDDKSUQONQ-PXAZEXFGSA-N 1 0 378.900 4.311 20 0 GIADRO COc1cc(C[NH2+]C[C@@H]2COc3ccccc3O2)ccc1OCc1cccs1 ZINC000025261914 819952041 /nfs/dbraw/zinc/95/20/41/819952041.db2.gz UNCQRZHPSQDWFB-QGZVFWFLSA-N 1 0 397.496 4.265 20 0 GIADRO C[C@@H](c1ccccc1)N1CCC([NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000177345793 823441199 /nfs/dbraw/zinc/44/11/99/823441199.db2.gz JTEAWXMSZPVWQU-SFHVURJKSA-N 1 0 387.568 4.201 20 0 GIADRO COc1ccc([C@@H]2CCCCC[N@@H+]2C[C@@H](O)COCc2cccc(OC)c2)cc1 ZINC000025302191 819958036 /nfs/dbraw/zinc/95/80/36/819958036.db2.gz IAFAESLAPQRSNC-QPPBQGQZSA-N 1 0 399.531 4.199 20 0 GIADRO CCC(CC)n1nccc1C(=O)N(CC)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000122967463 823441548 /nfs/dbraw/zinc/44/15/48/823441548.db2.gz AJHOKXCGHJEZKQ-FQEVSTJZSA-N 1 0 382.552 4.228 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1ccc(OCc2ccccc2)cc1)c1ccsc1 ZINC000025328770 819963152 /nfs/dbraw/zinc/96/31/52/819963152.db2.gz VYQBZEITZQXKPH-OAQYLSRUSA-N 1 0 380.513 4.360 20 0 GIADRO COCc1c(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)sc2cccc(F)c21 ZINC000025330828 819963844 /nfs/dbraw/zinc/96/38/44/819963844.db2.gz MGOAJBZXJAKMTO-OAHLLOKOSA-N 1 0 392.521 4.281 20 0 GIADRO COc1cc(C[NH2+]C[C@@H](c2ccco2)N(C)C)ccc1OCc1cccs1 ZINC000025355530 819969156 /nfs/dbraw/zinc/96/91/56/819969156.db2.gz PUDDDTTYZHDURO-SFHVURJKSA-N 1 0 386.517 4.321 20 0 GIADRO Cc1ccc(S(=O)(=O)NCc2ccccc2C[NH+]2CCCCC2)c(Cl)c1 ZINC000025371025 819971904 /nfs/dbraw/zinc/97/19/04/819971904.db2.gz LSKVKFGVNVXGCY-UHFFFAOYSA-N 1 0 392.952 4.113 20 0 GIADRO COc1cc(OC)cc([C@H](O)C[NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)c1 ZINC000177350221 823442491 /nfs/dbraw/zinc/44/24/91/823442491.db2.gz RREWJJXLBGEEJV-PKTZIBPZSA-N 1 0 381.447 4.256 20 0 GIADRO C[C@H](Sc1ccc(Cl)cc1)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000025382461 819973812 /nfs/dbraw/zinc/97/38/12/819973812.db2.gz LYZASOHTXLJTHE-MAUKXSAKSA-N 1 0 376.953 4.110 20 0 GIADRO C[C@@H](Sc1ccc(Cl)cc1)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000025382467 819973865 /nfs/dbraw/zinc/97/38/65/819973865.db2.gz LYZASOHTXLJTHE-QAPCUYQASA-N 1 0 376.953 4.110 20 0 GIADRO Cc1csc2nc(C[N@H+]3Cc4ccccc4[C@@H](c4ccccc4)C3)cc(=O)n12 ZINC000025401164 819975625 /nfs/dbraw/zinc/97/56/25/819975625.db2.gz VHWQYYSIXODYHF-OAQYLSRUSA-N 1 0 387.508 4.212 20 0 GIADRO Cc1ccc2c(C[N@@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)cc(=O)oc2c1 ZINC000025421819 819978387 /nfs/dbraw/zinc/97/83/87/819978387.db2.gz LCRXARUUAOLNER-IBGZPJMESA-N 1 0 377.440 4.210 20 0 GIADRO Cc1nc(COc2cccc(C(=O)NC[C@@H](c3ccccc3)[NH+](C)C)c2)cs1 ZINC000025421751 819978503 /nfs/dbraw/zinc/97/85/03/819978503.db2.gz YNBWQVLPYHZMDG-NRFANRHFSA-N 1 0 395.528 4.063 20 0 GIADRO COc1ccccc1CC[NH2+][C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000025427099 819978687 /nfs/dbraw/zinc/97/86/87/819978687.db2.gz NSKHLPSDUMYSPI-JOCHJYFZSA-N 1 0 378.447 4.346 20 0 GIADRO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2Cc2ccccc2)cc1OCC ZINC000025440426 819980735 /nfs/dbraw/zinc/98/07/35/819980735.db2.gz NKQKTAVUEDHDJC-HXUWFJFHSA-N 1 0 382.504 4.130 20 0 GIADRO CC(=O)Nc1ccc2c(C[N@@H+]3CCC[C@@H]3c3ccc(F)cc3)cc(=O)oc2c1 ZINC000025443762 819981345 /nfs/dbraw/zinc/98/13/45/819981345.db2.gz PPJPMIQCLMUVJC-HXUWFJFHSA-N 1 0 380.419 4.228 20 0 GIADRO CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000177352506 823443233 /nfs/dbraw/zinc/44/32/33/823443233.db2.gz MWYBAHGEOATDCW-KDOFPFPSSA-N 1 0 382.932 4.405 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)COc1ccc(C(C)C)cc1)[NH+]1CCCC1 ZINC000025457624 819984697 /nfs/dbraw/zinc/98/46/97/819984697.db2.gz LNVQIKONGRLCQX-QFIPXVFZSA-N 1 0 396.531 4.151 20 0 GIADRO C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000573068964 823443270 /nfs/dbraw/zinc/44/32/70/823443270.db2.gz PKLZWCBPEXIESI-RISCZKNCSA-N 1 0 382.348 4.252 20 0 GIADRO CC(C)(CNC(=O)CCc1nc2ccccc2s1)[N@@H+]1CCc2ccccc2C1 ZINC000025461205 819985246 /nfs/dbraw/zinc/98/52/46/819985246.db2.gz FIJFSFSDJMCXLC-UHFFFAOYSA-N 1 0 393.556 4.182 20 0 GIADRO Cc1c(C[NH2+]CCCCCc2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C ZINC000189557030 823443332 /nfs/dbraw/zinc/44/33/32/823443332.db2.gz CLMVXNPOXYLCLL-UHFFFAOYSA-N 1 0 381.495 4.126 20 0 GIADRO COc1ccc(C[N@H+](C)Cn2cnc3cc(C)c(C)cc32)cc1OC(F)F ZINC000025482436 819989692 /nfs/dbraw/zinc/98/96/92/819989692.db2.gz OQBAWWFUEPFNDJ-UHFFFAOYSA-N 1 0 375.419 4.353 20 0 GIADRO CC(C)c1ccccc1NC(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000573070607 823443695 /nfs/dbraw/zinc/44/36/95/823443695.db2.gz QIJFJEGOVQMPHD-UHFFFAOYSA-N 1 0 395.551 4.412 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1csc(Cc2ccccc2F)n1 ZINC000177358381 823444261 /nfs/dbraw/zinc/44/42/61/823444261.db2.gz ZSGCNRIZKYRBOF-UHFFFAOYSA-N 1 0 383.492 4.495 20 0 GIADRO C[C@H](CNC(=O)CCCc1nc2ccccc2s1)[N@@H+]1CCc2ccccc2C1 ZINC000025634535 820009196 /nfs/dbraw/zinc/00/91/96/820009196.db2.gz GBMKEELEVREBIN-QGZVFWFLSA-N 1 0 393.556 4.182 20 0 GIADRO CC[C@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1cc(F)ccc1F ZINC000177363843 823445400 /nfs/dbraw/zinc/44/54/00/823445400.db2.gz WKEGCTLCGUNTRR-YJYMSZOUSA-N 1 0 382.476 4.017 20 0 GIADRO Cc1ccc([C@@H](OC[C@@H](O)C[NH2+]CC2CC(F)(F)C2)c2ccccc2)cc1 ZINC000573083743 823445663 /nfs/dbraw/zinc/44/56/63/823445663.db2.gz HHJYRYWXSIOSOZ-SFTDATJTSA-N 1 0 375.459 4.097 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(Cl)c2)cc1OC ZINC000058761223 823445971 /nfs/dbraw/zinc/44/59/71/823445971.db2.gz LTTCNPQYJXVDTF-ZIAGYGMSSA-N 1 0 376.884 4.425 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)c(CC(=O)NC[C@H](c2ccsc2)[NH+](C)C)s1 ZINC000025811078 820027292 /nfs/dbraw/zinc/02/72/92/820027292.db2.gz YIXYJXPUEWEQPH-GOSISDBHSA-N 1 0 399.585 4.450 20 0 GIADRO O=c1cc(C[NH+]2CCC(CCc3ccccc3)CC2)nc2ccc(Cl)cn12 ZINC000025832830 820030142 /nfs/dbraw/zinc/03/01/42/820030142.db2.gz SUSUIFSDIUYHGR-UHFFFAOYSA-N 1 0 381.907 4.193 20 0 GIADRO CC[C@H]([NH2+]CC(=O)Nc1ccccc1C(=O)NC(C)C)c1ccc(Cl)cc1 ZINC000025938015 820042503 /nfs/dbraw/zinc/04/25/03/820042503.db2.gz ZPUVDLQKMOEHIR-SFHVURJKSA-N 1 0 387.911 4.158 20 0 GIADRO Cc1c(Cl)cccc1NC(=O)CN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000573103093 823448113 /nfs/dbraw/zinc/44/81/13/823448113.db2.gz WBZQAALXTPXNBV-UXHICEINSA-N 1 0 397.950 4.041 20 0 GIADRO FC(F)C(F)(F)COCC[N@@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000189577014 823449069 /nfs/dbraw/zinc/44/90/69/823449069.db2.gz LALQFBGOFAJNKG-LBPRGKRZSA-N 1 0 380.451 4.118 20 0 GIADRO CC(C)(C)OC(=O)N1Cc2ccc(C[NH2+]Cc3cnn(C(C)(C)C)c3)cc2C1 ZINC000189578449 823449717 /nfs/dbraw/zinc/44/97/17/823449717.db2.gz VEGUQEMYLVGRQS-UHFFFAOYSA-N 1 0 384.524 4.179 20 0 GIADRO COc1ccc([C@H](NC(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)C(C)C)cc1 ZINC000026173969 820066672 /nfs/dbraw/zinc/06/66/72/820066672.db2.gz DFOGQZXIBYCAQI-WZONZLPQSA-N 1 0 395.547 4.138 20 0 GIADRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000410288357 823450424 /nfs/dbraw/zinc/45/04/24/823450424.db2.gz MVWFPXLKIGBDRM-MQSCRBSSSA-N 1 0 383.580 4.352 20 0 GIADRO c1ccc(-c2nnc(CC[NH2+]Cc3ccccc3OCc3cccnc3)o2)cc1 ZINC000177387225 823450889 /nfs/dbraw/zinc/45/08/89/823450889.db2.gz OOXHWCQLVGKKCC-UHFFFAOYSA-N 1 0 386.455 4.043 20 0 GIADRO COc1ccccc1C(C)(C)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000058784293 823451417 /nfs/dbraw/zinc/45/14/17/823451417.db2.gz GODXHEPCLXBHPV-UHFFFAOYSA-N 1 0 380.532 4.275 20 0 GIADRO CCSc1cc(CNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)ccn1 ZINC000189584970 823451811 /nfs/dbraw/zinc/45/18/11/823451811.db2.gz RGLCYAIUKNMPAB-UHFFFAOYSA-N 1 0 383.561 4.112 20 0 GIADRO CC(C)c1cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)c2ccccc2n1 ZINC000026394461 820093541 /nfs/dbraw/zinc/09/35/41/820093541.db2.gz TWWUZFWSMCFXBT-UHFFFAOYSA-N 1 0 388.515 4.362 20 0 GIADRO Cn1cccc1[C@H]1CCCCCN1C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000058791285 823452764 /nfs/dbraw/zinc/45/27/64/823452764.db2.gz FPAPMANCWVAQMM-FYYLOGMGSA-N 1 0 379.548 4.381 20 0 GIADRO Fc1cccc(F)c1-c1n[nH]cc1C[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000573140408 823454263 /nfs/dbraw/zinc/45/42/63/823454263.db2.gz NBOBRPRABDHPJT-OPYAIIAOSA-N 1 0 395.453 4.359 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cccc(OCC(C)C)c1 ZINC000026568410 820115196 /nfs/dbraw/zinc/11/51/96/820115196.db2.gz BGRMROOMVVCIAD-UHFFFAOYSA-N 1 0 381.520 4.034 20 0 GIADRO O=C(NC[C@@H]1CCCc2ccccc21)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000410310740 823459327 /nfs/dbraw/zinc/45/93/27/823459327.db2.gz OXRSRGFYEAKVKX-QFIPXVFZSA-N 1 0 391.559 4.113 20 0 GIADRO C[C@@H](C[NH2+]Cc1cn2ccc(Br)cc2n1)Sc1ccccc1 ZINC000573143368 823455026 /nfs/dbraw/zinc/45/50/26/823455026.db2.gz HFAKOTKDVFKPAM-ZDUSSCGKSA-N 1 0 376.323 4.367 20 0 GIADRO O=C(CCCc1ncc(-c2ccccc2)o1)NC1CC[NH+](C2CCCC2)CC1 ZINC000177409003 823455157 /nfs/dbraw/zinc/45/51/57/823455157.db2.gz GLJXTTLECUENFI-UHFFFAOYSA-N 1 0 381.520 4.188 20 0 GIADRO CC1(C(=O)NC[C@H]2CC[C@@H](c3ccccc3)O2)CC[NH+](Cc2ccccc2)CC1 ZINC000460610440 823455433 /nfs/dbraw/zinc/45/54/33/823455433.db2.gz RNOMTYJVFSJZDG-PKTZIBPZSA-N 1 0 392.543 4.325 20 0 GIADRO COc1ccc(OC)c([C@H](C)[NH2+]C[C@@H](O)COc2ccc(C(C)(C)C)cc2)c1 ZINC000026714964 820136332 /nfs/dbraw/zinc/13/63/32/820136332.db2.gz TZNBITWAXSXPAO-FUHWJXTLSA-N 1 0 387.520 4.092 20 0 GIADRO Cc1ccccc1Cc1nnc(N2CCC[C@@H]([NH+]3CCCC3)CC2)n1CC(C)C ZINC000460612510 823456184 /nfs/dbraw/zinc/45/61/84/823456184.db2.gz CTCWVZAVNPZLOA-JOCHJYFZSA-N 1 0 395.595 4.288 20 0 GIADRO COC(=O)[C@@H](C)[C@H]([NH2+]Cc1cc(=O)oc2cc(C)c(C)cc12)c1ccccc1 ZINC000177412644 823456226 /nfs/dbraw/zinc/45/62/26/823456226.db2.gz YNBRJIAJDRBVIK-AOMKIAJQSA-N 1 0 379.456 4.050 20 0 GIADRO COc1ccccc1C(C)(C)C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000058809937 823456269 /nfs/dbraw/zinc/45/62/69/823456269.db2.gz QMCNTYCJOASPII-UHFFFAOYSA-N 1 0 380.532 4.062 20 0 GIADRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1ccccc1C(=O)c1ccccc1 ZINC000177424774 823459538 /nfs/dbraw/zinc/45/95/38/823459538.db2.gz RXXJJWXLCALSCI-UHFFFAOYSA-N 1 0 376.500 4.054 20 0 GIADRO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000573158064 823456973 /nfs/dbraw/zinc/45/69/73/823456973.db2.gz JLTFIYGRQOWCMK-ZOCZFRKYSA-N 1 0 387.474 4.330 20 0 GIADRO O=C(c1cc(Oc2ccccc2)ccc1O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000177416222 823457338 /nfs/dbraw/zinc/45/73/38/823457338.db2.gz MCKPYWKJAXGXNG-SFHVURJKSA-N 1 0 380.488 4.275 20 0 GIADRO C[C@@H](CC(=O)Nc1cccnc1Cl)N[C@@H](c1nccs1)c1ccccc1 ZINC000123074628 823457557 /nfs/dbraw/zinc/45/75/57/823457557.db2.gz YQLFEYABTPKRMD-SUMWQHHRSA-N 1 0 386.908 4.288 20 0 GIADRO CC[NH+](CC)CC(=O)Nc1cccc(NCc2nc3ccc(Cl)cc3n2C)c1 ZINC000573161659 823457666 /nfs/dbraw/zinc/45/76/66/823457666.db2.gz CAAAWBQWTSMTDC-UHFFFAOYSA-N 1 0 399.926 4.119 20 0 GIADRO Cc1cc(C(=O)NCCCC[NH+]2CCN(c3cccc(C)c3)CC2)sc1C ZINC000026960921 820169651 /nfs/dbraw/zinc/16/96/51/820169651.db2.gz WORLCZGMRJTNMQ-UHFFFAOYSA-N 1 0 385.577 4.006 20 0 GIADRO Cc1ccc2cc(C[N@@H+]3CCC[C@H](c4nnc5n4CCCCC5)C3)ccc2n1 ZINC000189612245 823457946 /nfs/dbraw/zinc/45/79/46/823457946.db2.gz KUFSGQHHPCINCR-FQEVSTJZSA-N 1 0 375.520 4.241 20 0 GIADRO COC(=O)[C@@H](C)[C@@H]([NH2+]Cc1ccc(-n2nc(C)cc2C)cc1)c1ccccc1 ZINC000177417631 823457999 /nfs/dbraw/zinc/45/79/99/823457999.db2.gz ZRQGOSNVAIESAB-PGRDOPGGSA-N 1 0 377.488 4.129 20 0 GIADRO COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+][C@@H](C)C(=O)Nc2cc(C)no2)cc1 ZINC000123077329 823458268 /nfs/dbraw/zinc/45/82/68/823458268.db2.gz APXAIKHKINQZGQ-MGPUTAFESA-N 1 0 397.450 4.031 20 0 GIADRO O[C@@]1(C[NH2+]Cc2ccc(F)c(Br)c2)CCC[C@@H](C(F)(F)F)C1 ZINC000189612782 823458275 /nfs/dbraw/zinc/45/82/75/823458275.db2.gz OLCPKFHRKMZPCU-RISCZKNCSA-N 1 0 384.211 4.161 20 0 GIADRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000410307493 823458440 /nfs/dbraw/zinc/45/84/40/823458440.db2.gz QXELTZOYGORLIR-HSZRJFAPSA-N 1 0 395.522 4.379 20 0 GIADRO CC(C)Oc1ccc(NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000410308407 823458717 /nfs/dbraw/zinc/45/87/17/823458717.db2.gz MLYQMSXTABJKRI-UHFFFAOYSA-N 1 0 381.520 4.302 20 0 GIADRO CC(C)Cn1c(C2CC2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000460626410 823460033 /nfs/dbraw/zinc/46/00/33/823460033.db2.gz DPLRSBSWZQFMFF-GHTZIAJQSA-N 1 0 381.568 4.301 20 0 GIADRO CC(C)Cn1c(C2CC2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000460626412 823460051 /nfs/dbraw/zinc/46/00/51/823460051.db2.gz DPLRSBSWZQFMFF-RXVVDRJESA-N 1 0 381.568 4.301 20 0 GIADRO CC(C)Cn1c(C2CC2)nnc1N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000460629017 823460690 /nfs/dbraw/zinc/46/06/90/823460690.db2.gz KTQHCNYCTIAIDR-XMMPIXPASA-N 1 0 393.579 4.304 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@H](C)C(=O)N(C)C(C)C)ccc1OCc1ccccc1 ZINC000177432642 823460868 /nfs/dbraw/zinc/46/08/68/823460868.db2.gz XTEFHPXRDALFQE-ZWKOTPCHSA-N 1 0 384.520 4.180 20 0 GIADRO O=C(Cc1ccc(C(F)(F)F)cc1)NCc1ccccc1C[NH+]1CCCC1 ZINC000027150159 820201044 /nfs/dbraw/zinc/20/10/44/820201044.db2.gz NXTLECDYTTTYSW-UHFFFAOYSA-N 1 0 376.422 4.160 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000027143548 820201124 /nfs/dbraw/zinc/20/11/24/820201124.db2.gz YILLAZWXNUSZDV-UHFFFAOYSA-N 1 0 378.438 4.406 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)c2csc(-c3ccccc3OC)n2)c1 ZINC000058832717 823460996 /nfs/dbraw/zinc/46/09/96/823460996.db2.gz RKRXLGNWQKLJOW-UHFFFAOYSA-N 1 0 395.528 4.200 20 0 GIADRO O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N(Cc1ccccc1)C[C@H]1CCCO1 ZINC000058832795 823461047 /nfs/dbraw/zinc/46/10/47/823461047.db2.gz GHAPIWSPULELAB-DNQXCXABSA-N 1 0 392.543 4.106 20 0 GIADRO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)CCCCCOc1ccccc1 ZINC000189623454 823461112 /nfs/dbraw/zinc/46/11/12/823461112.db2.gz YKNNLLDWIIDSKH-SFHVURJKSA-N 1 0 375.534 4.332 20 0 GIADRO Cc1cc(C(=O)C(C(=S)Nc2ccccc2F)[n+]2ccc(C)cc2)c(C)n1C ZINC000027161849 820203490 /nfs/dbraw/zinc/20/34/90/820203490.db2.gz NTIYZYZMHNVIAZ-UHFFFAOYSA-O 1 0 396.511 4.428 20 0 GIADRO Cc1ccc(NC(=S)C(C(=O)c2ccc3c(c2)OCO3)[n+]2ccccc2)cc1 ZINC000027202244 820209233 /nfs/dbraw/zinc/20/92/33/820209233.db2.gz NKKIABBHKGAMAX-UHFFFAOYSA-O 1 0 391.472 4.062 20 0 GIADRO Clc1ccc(OCc2cccnc2)c(C[NH2+]Cc2ccc3c(c2)OCCO3)c1 ZINC000027217305 820211406 /nfs/dbraw/zinc/21/14/06/820211406.db2.gz SMPQDIZEGBLPAG-UHFFFAOYSA-N 1 0 396.874 4.375 20 0 GIADRO C[C@H]([NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1)c1ncc(C(C)(C)C)o1 ZINC000177438084 823461892 /nfs/dbraw/zinc/46/18/92/823461892.db2.gz ZGGBUWRTPQTXDW-HNNXBMFYSA-N 1 0 386.492 4.100 20 0 GIADRO COc1ccc(C2(C(=O)NC[C@@H](c3ccc(C)cc3)[NH+](C)C)CCCC2)cc1 ZINC000058877843 823465041 /nfs/dbraw/zinc/46/50/41/823465041.db2.gz HVSGSPGHYYPFAJ-QFIPXVFZSA-N 1 0 380.532 4.235 20 0 GIADRO Cc1ccc(CNC(=O)C2CC[NH+](CCCCC3CCOCC3)CC2)cc1F ZINC000410319810 823461982 /nfs/dbraw/zinc/46/19/82/823461982.db2.gz ANYAUHDHGNGIKE-UHFFFAOYSA-N 1 0 390.543 4.059 20 0 GIADRO CC[C@H](C[NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1)N1CCc2ccccc2C1 ZINC000123099047 823462138 /nfs/dbraw/zinc/46/21/38/823462138.db2.gz BIXHKACOYLDXQH-XMSQKQJNSA-N 1 0 393.531 4.131 20 0 GIADRO C[C@H](Cc1ccc(O)cc1)[NH2+][C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000123101760 823462443 /nfs/dbraw/zinc/46/24/43/823462443.db2.gz JOVJVUIJYGURFC-IAGOWNOFSA-N 1 0 387.545 4.390 20 0 GIADRO CCc1cc[n+](C(C(=O)c2cc(C)n(C)c2C)C(=S)NC2CCCCC2)cc1 ZINC000027329736 820225280 /nfs/dbraw/zinc/22/52/80/820225280.db2.gz LZBJUEWECHRIAP-UHFFFAOYSA-O 1 0 398.596 4.353 20 0 GIADRO C[C@H](Cc1ccc(O)cc1)[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000123103837 823462752 /nfs/dbraw/zinc/46/27/52/823462752.db2.gz ZDLLJILBTACKAM-OAHLLOKOSA-N 1 0 376.903 4.370 20 0 GIADRO Cc1ccc(-c2cnc(CCC(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)o2)cc1 ZINC000027335895 820226378 /nfs/dbraw/zinc/22/63/78/820226378.db2.gz VMKALDZSQJRMRU-IBGZPJMESA-N 1 0 393.487 4.129 20 0 GIADRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1ccc(C2SCCS2)cc1 ZINC000177440923 823462798 /nfs/dbraw/zinc/46/27/98/823462798.db2.gz ABTUWSAESYFQFY-UHFFFAOYSA-N 1 0 376.591 4.302 20 0 GIADRO CC(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460638040 823463514 /nfs/dbraw/zinc/46/35/14/823463514.db2.gz UJQQSTSBQYUPMS-ZWKOTPCHSA-N 1 0 392.551 4.145 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)c2[nH]c3ccccc3c2Br)CC1 ZINC000058861342 823463660 /nfs/dbraw/zinc/46/36/60/823463660.db2.gz VEUFHNCXOVMVIL-UHFFFAOYSA-N 1 0 392.341 4.123 20 0 GIADRO CCCc1ccc([C@@H]([NH2+]CC(=O)Nc2cccc(C(=O)N(C)C)c2)C(C)C)cc1 ZINC000027422926 820242938 /nfs/dbraw/zinc/24/29/38/820242938.db2.gz WHWNFEUXUFBDCG-QHCPKHFHSA-N 1 0 395.547 4.266 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)Nc1cccc(Cl)c1F)[NH+]1CCCC1 ZINC000058863774 823464028 /nfs/dbraw/zinc/46/40/28/823464028.db2.gz QIDIBIVXKJJSRP-KRWDZBQOSA-N 1 0 391.874 4.446 20 0 GIADRO Cc1cc(C(=O)C(C(=S)N[C@@H]2CCCC[C@@H]2C)[n+]2ccc(C)cc2)c(C)n1C ZINC000027486760 820251571 /nfs/dbraw/zinc/25/15/71/820251571.db2.gz PEXCMZLONZZSOS-OXJNMPFZSA-O 1 0 398.596 4.345 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1=O)c1cc2cc(Br)ccc2o1 ZINC000573206028 823465339 /nfs/dbraw/zinc/46/53/39/823465339.db2.gz OJBUHVHGVBDQHI-SMDDNHRTSA-N 1 0 379.298 4.245 20 0 GIADRO COc1ccc(C(=O)C(C(=S)N[C@@H]2CCCC[C@@H]2C)[n+]2ccc(C)cc2)cc1 ZINC000027487762 820252229 /nfs/dbraw/zinc/25/22/29/820252229.db2.gz LFAXFMHODVHGPB-FXAWDEMLSA-O 1 0 397.564 4.398 20 0 GIADRO CCOc1cccc2[nH]cc(CC(=O)NC[C@@H](c3cccs3)[NH+]3CCCC3)c21 ZINC000189638777 823464475 /nfs/dbraw/zinc/46/44/75/823464475.db2.gz NDKISTPNZMYLAG-SFHVURJKSA-N 1 0 397.544 4.124 20 0 GIADRO CC1CC[NH+]([C@@H](CNC(=O)CCCOc2ccccc2)c2cccs2)CC1 ZINC000027573517 820261330 /nfs/dbraw/zinc/26/13/30/820261330.db2.gz ZDCNCSFOPLBKAH-FQEVSTJZSA-N 1 0 386.561 4.497 20 0 GIADRO COc1ccc(F)cc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000027575487 820262243 /nfs/dbraw/zinc/26/22/43/820262243.db2.gz JAAOCJDPLNEDNI-KRWDZBQOSA-N 1 0 376.497 4.099 20 0 GIADRO C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000027575999 820262851 /nfs/dbraw/zinc/26/28/51/820262851.db2.gz WUTFTXUPTIQRPE-FQEVSTJZSA-N 1 0 393.575 4.171 20 0 GIADRO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N(C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000460646433 823465621 /nfs/dbraw/zinc/46/56/21/823465621.db2.gz CXMKHIBSCYVOAC-RYQLBKOJSA-N 1 0 385.474 4.269 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)CCCc1nc2ccccc2s1)c1cccc(F)c1 ZINC000027592201 820265205 /nfs/dbraw/zinc/26/52/05/820265205.db2.gz SVIDSBRSZRXKDL-GOSISDBHSA-N 1 0 385.508 4.177 20 0 GIADRO Cc1cc(Cl)ccc1O[C@H](C)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000027602910 820265551 /nfs/dbraw/zinc/26/55/51/820265551.db2.gz LWOMWGZNTSOALU-WBVHZDCISA-N 1 0 392.952 4.431 20 0 GIADRO O=C(c1ccc(OC(F)(F)F)cc1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000058881106 823465840 /nfs/dbraw/zinc/46/58/40/823465840.db2.gz KKOKQTWGTSGGLM-UHFFFAOYSA-N 1 0 384.442 4.313 20 0 GIADRO Cc1ccc(C(=O)CCC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)s1 ZINC000027605282 820266390 /nfs/dbraw/zinc/26/63/90/820266390.db2.gz KYBPMGWGCYDPKV-HNNXBMFYSA-N 1 0 376.547 4.034 20 0 GIADRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1csc(Cc2ccccc2F)n1 ZINC000177452168 823465907 /nfs/dbraw/zinc/46/59/07/823465907.db2.gz DBTLMLPLCIBEHA-UHFFFAOYSA-N 1 0 387.524 4.010 20 0 GIADRO Cc1cccc(-c2nc(CC(=O)NC[C@@H](c3cccs3)[NH+](C)C)cs2)c1 ZINC000027677321 820274220 /nfs/dbraw/zinc/27/42/20/820274220.db2.gz GWCUZDPLVJPTGZ-KRWDZBQOSA-N 1 0 385.558 4.142 20 0 GIADRO Cc1nc(COc2cccc(C(=O)NC3CC[NH+](C4CCCC4)CC3)c2)cs1 ZINC000177454663 823466525 /nfs/dbraw/zinc/46/65/25/823466525.db2.gz NQDSWTVXQAHHOU-UHFFFAOYSA-N 1 0 399.560 4.167 20 0 GIADRO COc1ccc(Cl)cc1C[N@H+](C)C[C@H](O)c1cccc(Br)c1 ZINC000027738839 820281289 /nfs/dbraw/zinc/28/12/89/820281289.db2.gz HPOWOKKUGQFSEL-INIZCTEOSA-N 1 0 384.701 4.277 20 0 GIADRO Cc1nc(CSc2ccc(C(=O)N[C@H](C)C[NH+]3CCCCC3)cc2)cs1 ZINC000027760354 820283375 /nfs/dbraw/zinc/28/33/75/820283375.db2.gz NPKDAZRQIXTDOC-OAHLLOKOSA-N 1 0 389.590 4.348 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)CSc1cccc(OC)c1)c1ccsc1 ZINC000058890609 823467359 /nfs/dbraw/zinc/46/73/59/823467359.db2.gz YKBRTUZRYDEUAA-SFHVURJKSA-N 1 0 378.563 4.048 20 0 GIADRO CC1CC[NH+](Cc2ccccc2CNC(=O)N2CCC[C@@H]2c2cccn2C)CC1 ZINC000410340182 823467346 /nfs/dbraw/zinc/46/73/46/823467346.db2.gz MRXZKSPAUDMFRB-HSZRJFAPSA-N 1 0 394.563 4.304 20 0 GIADRO CC(C)c1oc([C@@H]2CCCN2C(=O)N[C@H]2CC[C@H](C[NH3+])C2)nc1-c1ccccc1 ZINC000573225384 823467810 /nfs/dbraw/zinc/46/78/10/823467810.db2.gz DVKNGTQDASPKAU-WDSOQIARSA-N 1 0 396.535 4.439 20 0 GIADRO O=C(CCc1nc2ccccc2s1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000027938378 820299337 /nfs/dbraw/zinc/29/93/37/820299337.db2.gz WSBYPLNSDYPKSA-UHFFFAOYSA-N 1 0 393.556 4.052 20 0 GIADRO COC(=O)c1cccc(NC(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)c1 ZINC000410346592 823469031 /nfs/dbraw/zinc/46/90/31/823469031.db2.gz WEUCFLFUESTCKP-QGZVFWFLSA-N 1 0 395.503 4.169 20 0 GIADRO C[C@@H](Sc1ccc(Br)cc1)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000058907811 823469035 /nfs/dbraw/zinc/46/90/35/823469035.db2.gz ZOLPSZNAOLCNBH-CQSZACIVSA-N 1 0 397.382 4.017 20 0 GIADRO Cc1cc(NC(=O)C2CC[NH+](CCCOc3ccc(C(C)(C)C)cc3)CC2)no1 ZINC000028142361 820313865 /nfs/dbraw/zinc/31/38/65/820313865.db2.gz KQXAVHLHRWZZSX-UHFFFAOYSA-N 1 0 399.535 4.400 20 0 GIADRO O=C(CCCNC(=O)c1ccc(Cl)cc1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000028166728 820314845 /nfs/dbraw/zinc/31/48/45/820314845.db2.gz CBNDEXVSLIEMAG-UHFFFAOYSA-N 1 0 399.922 4.085 20 0 GIADRO c1ccc(-c2nc3ccccn3c2C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)cc1 ZINC000177467933 823469419 /nfs/dbraw/zinc/46/94/19/823469419.db2.gz BIQFOCOTDLMEQA-NRFANRHFSA-N 1 0 391.515 4.161 20 0 GIADRO CC(C)OCCCNC(=O)C1CC[NH+]([C@@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000189659578 823469431 /nfs/dbraw/zinc/46/94/31/823469431.db2.gz TXXHYMMMKPYWFB-ISKFKSNPSA-N 1 0 386.580 4.140 20 0 GIADRO CC[C@@H](NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)c1nccs1 ZINC000123145125 823469687 /nfs/dbraw/zinc/46/96/87/823469687.db2.gz JPGHQRLILMCPES-QFBILLFUSA-N 1 0 386.565 4.326 20 0 GIADRO 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 823469721 /nfs/dbraw/zinc/46/97/21/823469721.db2.gz UWZUGSPASNKZGS-VVLHAWIVSA-N 1 0 389.506 4.402 20 0 GIADRO Fc1ccc(-c2ccc(C[NH2+][C@H](CN3CCOCC3)c3ccccc3)o2)cc1 ZINC000028321118 820324544 /nfs/dbraw/zinc/32/45/44/820324544.db2.gz QWMOMOPOAIAXPL-JOCHJYFZSA-N 1 0 380.463 4.249 20 0 GIADRO COc1cc(C[NH2+][C@@H](CC(C)C)c2ccccc2)cc(Cl)c1OCC(N)=O ZINC000028322742 820324760 /nfs/dbraw/zinc/32/47/60/820324760.db2.gz PCJOPZHRICQLQX-SFHVURJKSA-N 1 0 390.911 4.090 20 0 GIADRO Cc1c(O)ccc2c(C[NH2+][C@H](C)c3ccc(NC(=O)C4CC4)cc3)cc(=O)oc12 ZINC000028348187 820327313 /nfs/dbraw/zinc/32/73/13/820327313.db2.gz PAZSBCQFQDYPAU-CQSZACIVSA-N 1 0 392.455 4.006 20 0 GIADRO Cc1cccc(C)c1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000028350125 820327959 /nfs/dbraw/zinc/32/79/59/820327959.db2.gz RZBROXSLKBDLCX-IRXDYDNUSA-N 1 0 379.504 4.330 20 0 GIADRO COc1cc(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc(Cl)c1OCC(C)C ZINC000058918821 823470241 /nfs/dbraw/zinc/47/02/41/823470241.db2.gz VPDGOEPWAINNQU-KRWDZBQOSA-N 1 0 394.943 4.084 20 0 GIADRO CC[NH2+]Cc1cccc(NC(=O)c2cc3sc(N4CCCC4)nc3s2)c1 ZINC000573250031 823470497 /nfs/dbraw/zinc/47/04/97/823470497.db2.gz TWYYYCSOMGKXRC-UHFFFAOYSA-N 1 0 386.546 4.320 20 0 GIADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000028398717 820333006 /nfs/dbraw/zinc/33/30/06/820333006.db2.gz CXPCSPYPZHPQRP-UHFFFAOYSA-N 1 0 380.319 4.397 20 0 GIADRO COCc1cccc(CNC(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000410351277 823470775 /nfs/dbraw/zinc/47/07/75/823470775.db2.gz GOCLDCSAZUBBBS-IBGZPJMESA-N 1 0 395.547 4.064 20 0 GIADRO O=C(CCOc1ccc(Cl)cc1Cl)N1CCC([NH+]2CCCCC2)CC1 ZINC000058935744 823472671 /nfs/dbraw/zinc/47/26/71/823472671.db2.gz FNQIGLBBRHYMGN-UHFFFAOYSA-N 1 0 385.335 4.239 20 0 GIADRO CCCOc1ccc(C(=O)N2CCC([NH+]3CCCCC3)CC2)cc1OCCC ZINC000058936341 823472741 /nfs/dbraw/zinc/47/27/41/823472741.db2.gz IWAZUHFJKFJCEP-UHFFFAOYSA-N 1 0 388.552 4.355 20 0 GIADRO CCCn1c(C)c(C(=O)N2CCC([NH+]3CCCCC3)CC2)c2cc(OC)ccc21 ZINC000058935694 823472785 /nfs/dbraw/zinc/47/27/85/823472785.db2.gz QCQQBBUOUGOXRF-UHFFFAOYSA-N 1 0 397.563 4.459 20 0 GIADRO C=CCNC(=S)C(C(=O)c1ccc(Cl)cc1Cl)[n+]1cccc(C)c1 ZINC000028776819 820356517 /nfs/dbraw/zinc/35/65/17/820356517.db2.gz DMOYOKOXPUMZMP-UHFFFAOYSA-O 1 0 380.320 4.304 20 0 GIADRO CCOc1c(Cl)cc(C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1OC ZINC000058972124 823477276 /nfs/dbraw/zinc/47/72/76/823477276.db2.gz KWQZCCXMFZRLAK-IYBDPMFKSA-N 1 0 396.959 4.235 20 0 GIADRO CO[C@H](CNC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000410369304 823477257 /nfs/dbraw/zinc/47/72/57/823477257.db2.gz BCVIBFCXQOFZNS-AUSIDOKSSA-N 1 0 395.547 4.248 20 0 GIADRO CCCCN(CCCC)C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000410369075 823477272 /nfs/dbraw/zinc/47/72/72/823477272.db2.gz OCSHXZHMJKNLMX-BGYRXZFFSA-N 1 0 389.584 4.408 20 0 GIADRO CCOC(=O)C1CC[NH+](CCC(=O)Nc2ccccc2Oc2ccccc2)CC1 ZINC000028851876 820363632 /nfs/dbraw/zinc/36/36/32/820363632.db2.gz RYNNEMXDIBQPKV-UHFFFAOYSA-N 1 0 396.487 4.083 20 0 GIADRO O=C(CCOc1ccc(Cl)cc1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000058941845 823473618 /nfs/dbraw/zinc/47/36/18/823473618.db2.gz LYYGYPPILWADDP-UHFFFAOYSA-N 1 0 386.923 4.411 20 0 GIADRO CC[C@H]1c2ccsc2CCN1C(=O)C[NH+]1CCC(OCC2CCCC2)CC1 ZINC000177485590 823473697 /nfs/dbraw/zinc/47/36/97/823473697.db2.gz GBOPRVXWLUHWEB-FQEVSTJZSA-N 1 0 390.593 4.255 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1c(F)cccc1F)c1ccc(Br)cc1 ZINC000028893828 820368563 /nfs/dbraw/zinc/36/85/63/820368563.db2.gz SXLXSSYXVCROFO-MNOVXSKESA-N 1 0 383.236 4.405 20 0 GIADRO COc1ccc(CCNC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000410361221 823474130 /nfs/dbraw/zinc/47/41/30/823474130.db2.gz URFJKXCSHMKYBI-IBGZPJMESA-N 1 0 395.547 4.112 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@@H](O)COc2ccc(C(C)(C)C)cc2C)c1 ZINC000028918126 820372538 /nfs/dbraw/zinc/37/25/38/820372538.db2.gz XCXGUUZPQWERJF-HTAPYJJXSA-N 1 0 398.547 4.341 20 0 GIADRO COCc1ccccc1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000028926391 820374829 /nfs/dbraw/zinc/37/48/29/820374829.db2.gz KLPQTGZTRJHDSC-UHFFFAOYSA-N 1 0 384.483 4.371 20 0 GIADRO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)NC1CC[NH+](CCOC(C)C)CC1 ZINC000177489014 823474370 /nfs/dbraw/zinc/47/43/70/823474370.db2.gz CVDRZYNDWOOHSV-RBUKOAKNSA-N 1 0 389.584 4.006 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Nc1ccc2c(c1)CCO2 ZINC000410361912 823474444 /nfs/dbraw/zinc/47/44/44/823474444.db2.gz BCEUSQFJQQDDLI-KRWDZBQOSA-N 1 0 379.504 4.318 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCC[C@@H]2c2cccnc2)C1 ZINC000410362604 823474737 /nfs/dbraw/zinc/47/47/37/823474737.db2.gz HHIAVZYXHLHWLA-AUSIDOKSSA-N 1 0 392.547 4.360 20 0 GIADRO CSc1cccc(NC(=O)NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000410364378 823475444 /nfs/dbraw/zinc/47/54/44/823475444.db2.gz AFSKMLOCLMXJFZ-CALCHBBNSA-N 1 0 399.560 4.339 20 0 GIADRO CSc1cccc(NC(=O)NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c1 ZINC000410364388 823475529 /nfs/dbraw/zinc/47/55/29/823475529.db2.gz AFSKMLOCLMXJFZ-IAGOWNOFSA-N 1 0 399.560 4.339 20 0 GIADRO Cc1ccc(NC(=O)NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1F ZINC000410365067 823475866 /nfs/dbraw/zinc/47/58/66/823475866.db2.gz JHTVPJFCCNPFIG-CALCHBBNSA-N 1 0 385.483 4.065 20 0 GIADRO Cc1cc(C)n(-c2ccc(C(=O)N[C@H](C[NH+]3CCCC3)c3ccccc3)cc2)n1 ZINC000029177632 820406437 /nfs/dbraw/zinc/40/64/37/820406437.db2.gz ILUCSFAFHJWSBJ-HSZRJFAPSA-N 1 0 388.515 4.056 20 0 GIADRO Cc1nc2cc(F)ccc2cc1C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000029179103 820406921 /nfs/dbraw/zinc/40/69/21/820406921.db2.gz QBFPDZRJQZIQNV-QFIPXVFZSA-N 1 0 377.463 4.249 20 0 GIADRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)N(C)CC3CCCCC3)cc2)C[C@H](C)O1 ZINC000410368477 823476908 /nfs/dbraw/zinc/47/69/08/823476908.db2.gz UHEAVJNOZBOQCA-KDURUIRLSA-N 1 0 387.568 4.018 20 0 GIADRO C[C@@H](c1nc(-c2ccccc2)no1)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177502443 823477939 /nfs/dbraw/zinc/47/79/39/823477939.db2.gz BKHSTQFXPXXKIV-OTWHNJEPSA-N 1 0 398.551 4.009 20 0 GIADRO O=C(Nc1cccc(C(=O)N2CCCC2)c1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000029280728 820427001 /nfs/dbraw/zinc/42/70/01/820427001.db2.gz RFNPEBINEXVELP-UHFFFAOYSA-N 1 0 391.515 4.161 20 0 GIADRO Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000573308880 823479127 /nfs/dbraw/zinc/47/91/27/823479127.db2.gz OGDTWGXETZMSMV-IPMKNSEASA-N 1 0 391.437 4.043 20 0 GIADRO Cc1ccc(CSCCNC(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000029333392 820438836 /nfs/dbraw/zinc/43/88/36/820438836.db2.gz JDVILSCIMRLARY-UHFFFAOYSA-N 1 0 397.588 4.323 20 0 GIADRO C[C@H](C1CC1)n1cc(NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cn1 ZINC000189703939 823479366 /nfs/dbraw/zinc/47/93/66/823479366.db2.gz DRXRLMKXTCWBRC-QGZVFWFLSA-N 1 0 381.524 4.162 20 0 GIADRO COc1cccc(CCC(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)c1 ZINC000029358559 820443260 /nfs/dbraw/zinc/44/32/60/820443260.db2.gz DACUIICYYGTATJ-UHFFFAOYSA-N 1 0 380.532 4.176 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N(C)Cc3cccc(F)c3)cc2)C1 ZINC000410374467 823479687 /nfs/dbraw/zinc/47/96/87/823479687.db2.gz ZHEICFQMUHUUNQ-GOSISDBHSA-N 1 0 383.511 4.399 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1nc(-c2ccco2)sc1C ZINC000029439361 820455343 /nfs/dbraw/zinc/45/53/43/820455343.db2.gz RGWBTCRVNTUPLZ-UHFFFAOYSA-N 1 0 383.517 4.483 20 0 GIADRO COc1cc(NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)c(C)c(OC)c1 ZINC000410379265 823481253 /nfs/dbraw/zinc/48/12/53/823481253.db2.gz BQWRQHLYRCCERC-UHFFFAOYSA-N 1 0 382.504 4.253 20 0 GIADRO COc1ccc2oc(C(=O)N(CC[NH+](C)C)Cc3ccc(F)cc3)c(C)c2c1 ZINC000059000798 823481337 /nfs/dbraw/zinc/48/13/37/823481337.db2.gz NASKUZYUQCLUDS-UHFFFAOYSA-N 1 0 384.451 4.093 20 0 GIADRO COc1ccc2oc(C)c(C(=O)N(CC[NH+](C)C)Cc3ccc(F)cc3)c2c1 ZINC000059001770 823481588 /nfs/dbraw/zinc/48/15/88/823481588.db2.gz SLKFZKKIYZZCEC-UHFFFAOYSA-N 1 0 384.451 4.093 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000189731802 823483479 /nfs/dbraw/zinc/48/34/79/823483479.db2.gz GJWKUHYXQWWBBV-MRXNPFEDSA-N 1 0 386.565 4.305 20 0 GIADRO Cc1cc(C)nc(NCc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)n1 ZINC000029620583 820485617 /nfs/dbraw/zinc/48/56/17/820485617.db2.gz ONMBTXYKBKEKCJ-UHFFFAOYSA-N 1 0 387.531 4.028 20 0 GIADRO O=C1[C@@H]([NH2+][C@@H](CCc2ccccc2)c2ccccc2)CCN1CC(F)(F)F ZINC000573348489 823482526 /nfs/dbraw/zinc/48/25/26/823482526.db2.gz CTZJRRZJHIXPBI-OALUTQOASA-N 1 0 376.422 4.113 20 0 GIADRO Cc1coc(-c2cccc(NC(=O)N[C@H]3CC[N@@H+](C)[C@@H]3c3ccccc3)c2)n1 ZINC000189725267 823482838 /nfs/dbraw/zinc/48/28/38/823482838.db2.gz XANJDTMRMBHRLX-VQTJNVASSA-N 1 0 376.460 4.217 20 0 GIADRO CCC(=O)c1ccc(C(=O)NC[C@H](c2ccc(OC(C)C)cc2)N(C)C)cc1 ZINC000573356779 823483577 /nfs/dbraw/zinc/48/35/77/823483577.db2.gz SQVCHXQJTNRFPC-OAQYLSRUSA-N 1 0 382.504 4.099 20 0 GIADRO CC1CC[NH+]([C@@H](CNC(=O)NCCc2cccs2)c2cccs2)CC1 ZINC000029655186 820494348 /nfs/dbraw/zinc/49/43/48/820494348.db2.gz NZYGDHLXFBLXFA-KRWDZBQOSA-N 1 0 377.579 4.125 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1ccccc1C(=O)c1ccc(F)cc1)c1ccccc1 ZINC000029679861 820497092 /nfs/dbraw/zinc/49/70/92/820497092.db2.gz QRCUNNSPBVMEAU-QFIPXVFZSA-N 1 0 390.458 4.089 20 0 GIADRO C[C@H](c1ccccc1Cl)N1CC[NH+](CCC(=O)Nc2ccccc2F)CC1 ZINC000029692625 820498575 /nfs/dbraw/zinc/49/85/75/820498575.db2.gz VQTITOGDJVYKHS-MRXNPFEDSA-N 1 0 389.902 4.187 20 0 GIADRO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1CC(=O)N[C@H](c1nccs1)c1ccccc1 ZINC000177532414 823484227 /nfs/dbraw/zinc/48/42/27/823484227.db2.gz ZMDQUVTXUGOJJX-AGHHOFFYSA-N 1 0 391.540 4.227 20 0 GIADRO C[C@@H](C1CC1)[N@H+](CC(=O)Nc1ccnn1Cc1cccs1)Cc1ccccc1 ZINC000059037359 823484269 /nfs/dbraw/zinc/48/42/69/823484269.db2.gz JDJPJLGIQUKHQD-KRWDZBQOSA-N 1 0 394.544 4.232 20 0 GIADRO Cc1ccc(-c2cc(C[NH+]3CCC(C(=O)NCc4ccccc4)CC3)on2)cc1 ZINC000029706368 820502678 /nfs/dbraw/zinc/50/26/78/820502678.db2.gz RKIUTXQQXVQXHD-UHFFFAOYSA-N 1 0 389.499 4.178 20 0 GIADRO Cc1ccc(-c2cc(C[NH+]3CCC(NC(=O)c4ccccc4)CC3)on2)cc1 ZINC000029711659 820504059 /nfs/dbraw/zinc/50/40/59/820504059.db2.gz CLXUNADDDFFXMG-UHFFFAOYSA-N 1 0 375.472 4.044 20 0 GIADRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000029713746 820504665 /nfs/dbraw/zinc/50/46/65/820504665.db2.gz RARWSZDEZPQPNJ-QUCCMNQESA-N 1 0 386.430 4.200 20 0 GIADRO COc1ccc(C[N@@H+]2CCCN(C(=O)[C@H](C)c3cccc(Cl)c3)CC2)cc1 ZINC000460697889 823484851 /nfs/dbraw/zinc/48/48/51/823484851.db2.gz MDOOXFLKQQLNJS-QGZVFWFLSA-N 1 0 386.923 4.187 20 0 GIADRO O=C(C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1)NC12CC3CC(CC(C3)C1)C2 ZINC000029824769 820524759 /nfs/dbraw/zinc/52/47/59/820524759.db2.gz LIQNBHUCGIILPR-LAHWMRIESA-N 1 0 393.531 4.092 20 0 GIADRO C[NH+](C)CCOc1cccc(CNC(=O)Nc2ccc3c4c(cccc42)CC3)c1 ZINC000410397019 823486278 /nfs/dbraw/zinc/48/62/78/823486278.db2.gz GJVJTUTXXLDYOX-UHFFFAOYSA-N 1 0 389.499 4.201 20 0 GIADRO CCN(CCC[NH+]1CCCC1)C(=O)Nc1cnn(-c2cc(C)ccc2C)c1C ZINC000189744380 823486260 /nfs/dbraw/zinc/48/62/60/823486260.db2.gz FKMCRMIOUJVWIJ-UHFFFAOYSA-N 1 0 383.540 4.137 20 0 GIADRO O=C(CCCc1nc2ccccc2s1)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000029839291 820529542 /nfs/dbraw/zinc/52/95/42/820529542.db2.gz OBPMQGFMEGDXHY-UHFFFAOYSA-N 1 0 393.556 4.184 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000177542324 823486586 /nfs/dbraw/zinc/48/65/86/823486586.db2.gz CEWHFHXKOYYOHJ-GOSISDBHSA-N 1 0 394.519 4.135 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)c2ccc(-c3ccccc3)[nH]c2=O)c1 ZINC000059251586 823487118 /nfs/dbraw/zinc/48/71/18/823487118.db2.gz WXMLEGWWACZKAK-UHFFFAOYSA-N 1 0 375.472 4.136 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@@H](O)c1ccc(OC(C)C)cc1)CC3 ZINC000123265792 823487663 /nfs/dbraw/zinc/48/76/63/823487663.db2.gz GKUGTZKSDQZRJL-MZNJEOGPSA-N 1 0 394.515 4.144 20 0 GIADRO Cc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@H](CO)C2CC2)cc1 ZINC000573409869 823489837 /nfs/dbraw/zinc/48/98/37/823489837.db2.gz SMNCZHQQVQUWHO-HSZRJFAPSA-N 1 0 375.516 4.015 20 0 GIADRO CCC(CC)c1cc(CNC(=O)NC2CC[NH+](C3CCCCC3)CC2)on1 ZINC000177548697 823488191 /nfs/dbraw/zinc/48/81/91/823488191.db2.gz BUIXQQHPFNNTSX-UHFFFAOYSA-N 1 0 376.545 4.175 20 0 GIADRO CCCC(=O)Nc1ccc(Cl)c(NC(=O)N(CC)CCC[NH+]2CCCC2)c1 ZINC000189752970 823488309 /nfs/dbraw/zinc/48/83/09/823488309.db2.gz HPXOXTRVQCCDLS-UHFFFAOYSA-N 1 0 394.947 4.418 20 0 GIADRO C[NH+](C)Cc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)cc1 ZINC000029952503 820555941 /nfs/dbraw/zinc/55/59/41/820555941.db2.gz WHBXVUNFLNCVGB-UHFFFAOYSA-N 1 0 397.482 4.248 20 0 GIADRO C[C@@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)[N@H+](C)CC1(O)CCOCC1 ZINC000189757378 823489161 /nfs/dbraw/zinc/48/91/61/823489161.db2.gz AIHZCFKADAOWQG-LBPRGKRZSA-N 1 0 385.291 4.183 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)/C=C/Sc3ccccc3)c(C)c2)CC1 ZINC000030019798 820570360 /nfs/dbraw/zinc/57/03/60/820570360.db2.gz IPFHKEPJKWINJQ-LFIBNONCSA-N 1 0 381.545 4.381 20 0 GIADRO O=C(Cc1csc(-c2cccs2)n1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000030057255 820574527 /nfs/dbraw/zinc/57/45/27/820574527.db2.gz WKKQXHSFPSEEKV-UHFFFAOYSA-N 1 0 397.569 4.195 20 0 GIADRO O=C(Nc1cc(Cl)ccc1O)C1CC[NH+](Cc2cnc3ccccc3c2)CC1 ZINC000410424305 823493669 /nfs/dbraw/zinc/49/36/69/823493669.db2.gz RKPINTIMVBEZGA-UHFFFAOYSA-N 1 0 395.890 4.445 20 0 GIADRO Cc1ccc(-c2noc(CN3CCC[N@H+](Cc4ccccc4C)CC3)n2)cc1 ZINC000030153940 820580753 /nfs/dbraw/zinc/58/07/53/820580753.db2.gz LAJKASPKWCWCOL-UHFFFAOYSA-N 1 0 376.504 4.061 20 0 GIADRO CC(C)CC(=O)Nc1ccc(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)cc1F ZINC000460724163 823495365 /nfs/dbraw/zinc/49/53/65/823495365.db2.gz MOBJRMIRTJSVOV-FQEVSTJZSA-N 1 0 391.531 4.051 20 0 GIADRO C[N@H+](CCC(=O)Nc1ccc(Cl)cc1F)Cc1ccc(Br)o1 ZINC000030217459 820588301 /nfs/dbraw/zinc/58/83/01/820588301.db2.gz NQYYDTQTGRMBHR-UHFFFAOYSA-N 1 0 389.652 4.295 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@H](c3ccccc3OC)C2)c1 ZINC000123310556 823494532 /nfs/dbraw/zinc/49/45/32/823494532.db2.gz AGRTUMNFLXVJLC-NRFANRHFSA-N 1 0 395.547 4.236 20 0 GIADRO C[C@H]1C[C@@H]([NH2+][C@@H](CN2CCN(C)CC2)c2ccccc2)c2ccsc2S1 ZINC000573419042 823491304 /nfs/dbraw/zinc/49/13/04/823491304.db2.gz UAGKKFYQLSRQSG-DBVUQKKJSA-N 1 0 387.618 4.252 20 0 GIADRO COc1cccc(F)c1[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000123291156 823491399 /nfs/dbraw/zinc/49/13/99/823491399.db2.gz HMHWFGCAQXOCJF-WZYMTQMTSA-N 1 0 378.488 4.415 20 0 GIADRO O=c1[nH]c(CC[N@@H+](Cc2cc(F)ccc2F)C2CCCC2)nc2ccccc21 ZINC000177561894 823491526 /nfs/dbraw/zinc/49/15/26/823491526.db2.gz OLVAZKHJBRFKDF-UHFFFAOYSA-N 1 0 383.442 4.189 20 0 GIADRO Cc1sc2[nH]c([C@@H](C)[NH2+]CC3(c4ccccc4)CCOCC3)nc(=O)c2c1C ZINC000030507960 820626595 /nfs/dbraw/zinc/62/65/95/820626595.db2.gz UZYUVUKSPNQBOQ-OAHLLOKOSA-N 1 0 397.544 4.000 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NC2CCC(C)CC2)cc1Br ZINC000030509859 820627158 /nfs/dbraw/zinc/62/71/58/820627158.db2.gz OPZOWZPOYKUGRT-WJEHIRDRSA-N 1 0 397.357 4.192 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc(C)c2)cc1Br ZINC000030509594 820627425 /nfs/dbraw/zinc/62/74/25/820627425.db2.gz VZLOXNPZIAMVDO-KBPBESRZSA-N 1 0 391.309 4.444 20 0 GIADRO COc1ccccc1NC(=O)[C@@H](C)[NH2+]Cc1cccc(COCc2ccco2)c1 ZINC000030511049 820627841 /nfs/dbraw/zinc/62/78/41/820627841.db2.gz WEBBKQNAPGKTJV-QGZVFWFLSA-N 1 0 394.471 4.122 20 0 GIADRO Cc1cccc(C(C)C)c1NC(=O)C(=O)Nc1cccc(OCCC[NH+](C)C)c1 ZINC000189774537 823492213 /nfs/dbraw/zinc/49/22/13/823492213.db2.gz YTULTNLMMQYFFK-UHFFFAOYSA-N 1 0 397.519 4.026 20 0 GIADRO Cc1cc(C[NH2+]C[C@@H]2COc3ccccc3O2)cc(C)c1OCc1ccccn1 ZINC000030544412 820637192 /nfs/dbraw/zinc/63/71/92/820637192.db2.gz OZPCEYHXZKSJED-OAQYLSRUSA-N 1 0 390.483 4.207 20 0 GIADRO COc1ncc(C[NH2+]C2(c3ccc(Br)cc3)CCCC2)c(C)n1 ZINC000410422416 823492604 /nfs/dbraw/zinc/49/26/04/823492604.db2.gz PCJQSXJYHXTRSU-UHFFFAOYSA-N 1 0 376.298 4.115 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000030553329 820639089 /nfs/dbraw/zinc/63/90/89/820639089.db2.gz UHALTCFQOISVJL-HSZRJFAPSA-N 1 0 396.531 4.016 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Nc1ccccc1OC(F)(F)F)c1ccc(F)cc1 ZINC000059356674 823493018 /nfs/dbraw/zinc/49/30/18/823493018.db2.gz DFKCMSBXRCAYJO-HNNXBMFYSA-N 1 0 385.361 4.149 20 0 GIADRO O=C1CCCN1c1ccc(C[NH2+]Cc2ccccc2OCc2cccnc2)cc1 ZINC000030628550 820652918 /nfs/dbraw/zinc/65/29/18/820652918.db2.gz KCVSNWXBCNWEHV-UHFFFAOYSA-N 1 0 387.483 4.077 20 0 GIADRO COc1ccc(C(=O)Nc2cccc(C[NH2+]CCN(C)c3ccccc3)c2)cc1 ZINC000030633792 820654877 /nfs/dbraw/zinc/65/48/77/820654877.db2.gz MYDPRTJZYRUSCD-UHFFFAOYSA-N 1 0 389.499 4.174 20 0 GIADRO O=S(=O)(c1ccccc1C[NH2+]Cc1cccc2ccccc21)N1CCCCC1 ZINC000030659758 820659763 /nfs/dbraw/zinc/65/97/63/820659763.db2.gz ZJQMUFOTMNRPFK-UHFFFAOYSA-N 1 0 394.540 4.304 20 0 GIADRO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCc2cn3ccccc3n2)o1 ZINC000030661705 820660698 /nfs/dbraw/zinc/66/06/98/820660698.db2.gz JDLXUQLJFNJHFE-UHFFFAOYSA-N 1 0 397.482 4.421 20 0 GIADRO Cc1nc(CC[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)cs1 ZINC000030662630 820660723 /nfs/dbraw/zinc/66/07/23/820660723.db2.gz HNPXEFYTQFHWSW-UHFFFAOYSA-N 1 0 375.501 4.032 20 0 GIADRO CCC(CC)[C@@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1)N(C)C ZINC000030667815 820662213 /nfs/dbraw/zinc/66/22/13/820662213.db2.gz ZBFFDYLUUITMQA-HSZRJFAPSA-N 1 0 391.563 4.390 20 0 GIADRO Cc1cc(C[NH2+]C2CCN(C(=O)C(C)C)CC2)cc(C)c1OCc1ccccn1 ZINC000030670915 820662770 /nfs/dbraw/zinc/66/27/70/820662770.db2.gz NGJFPVUSCTWLRY-UHFFFAOYSA-N 1 0 395.547 4.014 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3oc4c(cccc4F)c3C)cc2)CC1 ZINC000030669768 820662825 /nfs/dbraw/zinc/66/28/25/820662825.db2.gz YKTHYXCDFLHCBS-UHFFFAOYSA-N 1 0 381.451 4.275 20 0 GIADRO Cc1ccc(Br)cc1C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000460726556 823496482 /nfs/dbraw/zinc/49/64/82/823496482.db2.gz CMTFESUDIVNLCI-HUUCEWRRSA-N 1 0 381.358 4.245 20 0 GIADRO Cc1cccc(OC[C@@H](O)C[NH+]2CCC(c3nc4cccc(C)c4o3)CC2)c1 ZINC000189802057 823497046 /nfs/dbraw/zinc/49/70/46/823497046.db2.gz GGMYYWXNGQLUGZ-IBGZPJMESA-N 1 0 380.488 4.064 20 0 GIADRO CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000059699976 823497293 /nfs/dbraw/zinc/49/72/93/823497293.db2.gz TUMOLHJBTFJFLD-QZTJIDSGSA-N 1 0 397.437 4.367 20 0 GIADRO CSc1cccc(N(C(=O)c2c(C)nsc2C)C2CC[NH+](C)CC2)c1 ZINC000410468638 823497731 /nfs/dbraw/zinc/49/77/31/823497731.db2.gz MOIGSHPBPJIUQB-UHFFFAOYSA-N 1 0 375.563 4.223 20 0 GIADRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2ncoc2-c2ccccc2Cl)C1 ZINC000460731741 823498534 /nfs/dbraw/zinc/49/85/34/823498534.db2.gz NDHLIABXRANECG-HOTGVXAUSA-N 1 0 389.927 4.483 20 0 GIADRO Cc1c(C[NH2+]CC2(c3ccccc3)CCOCC2)sc2nc(C)nc(C)c12 ZINC000030912630 820707495 /nfs/dbraw/zinc/70/74/95/820707495.db2.gz PKRIZUMJJTUHNA-UHFFFAOYSA-N 1 0 381.545 4.455 20 0 GIADRO Clc1ccccc1Cn1cc(C[NH2+][C@H]2CCCN(Cc3ccccc3)C2)cn1 ZINC000030909056 820707603 /nfs/dbraw/zinc/70/76/03/820707603.db2.gz WOOOJAILOOVPML-QFIPXVFZSA-N 1 0 394.950 4.339 20 0 GIADRO C[N@H+](CCC(=O)Nc1ccc2c(c1)OCO2)Cc1ccc(Cl)cc1Cl ZINC000031053652 820729075 /nfs/dbraw/zinc/72/90/75/820729075.db2.gz ZZJCNOSVQIODMV-UHFFFAOYSA-N 1 0 381.259 4.183 20 0 GIADRO CN(C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1)[C@H]1CCSC1 ZINC000123392265 823504867 /nfs/dbraw/zinc/50/48/67/823504867.db2.gz FKMYJTDXFGCCQV-FQEVSTJZSA-N 1 0 375.582 4.098 20 0 GIADRO C[N@H+](CCCNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1)C1CCCCC1 ZINC000031144911 820752115 /nfs/dbraw/zinc/75/21/15/820752115.db2.gz YKNBWWPCSDEBEL-UHFFFAOYSA-N 1 0 389.540 4.418 20 0 GIADRO O=C(N[C@H]1C[C@H](c2ccccc2)C1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000460758002 823505227 /nfs/dbraw/zinc/50/52/27/823505227.db2.gz KXZJCPBYTMDCGM-JLLPCOHGSA-N 1 0 389.543 4.096 20 0 GIADRO COc1ccc(OC)c([C@@H]2CCCN2C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC000177635200 823505322 /nfs/dbraw/zinc/50/53/22/823505322.db2.gz AMZMADVSGAFHBD-UWJYYQICSA-N 1 0 386.536 4.022 20 0 GIADRO COc1ccc2cc(C(=O)NC[C@@H](c3cccs3)[NH+]3CCC(C)CC3)[nH]c2c1 ZINC000031209175 820769553 /nfs/dbraw/zinc/76/95/53/820769553.db2.gz GOIPDWYQWMOGOT-FQEVSTJZSA-N 1 0 397.544 4.441 20 0 GIADRO C[NH+](C)Cc1ccccc1NC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000031230853 820775115 /nfs/dbraw/zinc/77/51/15/820775115.db2.gz PGIDXLKBYGDGOA-UHFFFAOYSA-N 1 0 391.446 4.392 20 0 GIADRO CCOc1ccc(-c2nc(CC(=O)Nc3ccccc3C[NH+](C)C)cs2)cc1 ZINC000031231316 820775137 /nfs/dbraw/zinc/77/51/37/820775137.db2.gz HBWLENGDNSYECB-UHFFFAOYSA-N 1 0 395.528 4.452 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H]2CCSc3ccccc32)CC1 ZINC000460741633 823501882 /nfs/dbraw/zinc/50/18/82/823501882.db2.gz FWUNAJNXBIMPRR-OAQYLSRUSA-N 1 0 380.557 4.355 20 0 GIADRO Cc1ccc(-c2ocnc2C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000460744903 823502617 /nfs/dbraw/zinc/50/26/17/823502617.db2.gz YCCZRURJACETIW-UHFFFAOYSA-N 1 0 389.499 4.353 20 0 GIADRO O=C(CC(c1ccccc1)c1ccccc1)NCC[N@@H+]1CCc2ccccc2C1 ZINC000031338214 820796115 /nfs/dbraw/zinc/79/61/15/820796115.db2.gz AJHNXGRSYPHLCV-UHFFFAOYSA-N 1 0 384.523 4.383 20 0 GIADRO Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@H](C)CC(=O)Nc1ccccc1C ZINC000123375739 823502980 /nfs/dbraw/zinc/50/29/80/823502980.db2.gz PKQHYKSTXNQFME-LJQANCHMSA-N 1 0 390.531 4.429 20 0 GIADRO Cc1cc(OCCCC(=O)N2CCC([NH+]3CCCCC3)CC2)ccc1Cl ZINC000059923500 823502950 /nfs/dbraw/zinc/50/29/50/823502950.db2.gz RAGDQGIQLPWLSD-UHFFFAOYSA-N 1 0 378.944 4.284 20 0 GIADRO Cc1ccc(-c2cc(C(=O)NCc3cccc(C[NH+]4CCCC4)c3)on2)cc1 ZINC000031369700 820799405 /nfs/dbraw/zinc/79/94/05/820799405.db2.gz KBWZRWFQZLTHIC-UHFFFAOYSA-N 1 0 375.472 4.176 20 0 GIADRO COc1ccc2nc(NC(=O)[C@@H]3CCC[N@H+](Cc4ccccc4)C3)sc2c1 ZINC000059951511 823503687 /nfs/dbraw/zinc/50/36/87/823503687.db2.gz SQELYZCENASQSS-MRXNPFEDSA-N 1 0 381.501 4.156 20 0 GIADRO CC(C)O[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000410551564 823503727 /nfs/dbraw/zinc/50/37/27/823503727.db2.gz ZYNOTDQIJJXTNM-OIBXWCBGSA-N 1 0 380.532 4.180 20 0 GIADRO CC[C@@H](NC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1)c1c(C)noc1C ZINC000123383650 823503744 /nfs/dbraw/zinc/50/37/44/823503744.db2.gz HLRKCGLCCOZZTE-OXJNMPFZSA-N 1 0 390.572 4.429 20 0 GIADRO Cc1nc(-c2c[nH]c(C(=O)NCc3ccccc3C[NH+]3CCCCC3)c2)cs1 ZINC000031524526 820820944 /nfs/dbraw/zinc/82/09/44/820820944.db2.gz AVQUQLIFLCUSFH-UHFFFAOYSA-N 1 0 394.544 4.363 20 0 GIADRO Cc1ccc(-c2nc(CC(=O)N[C@H]3CCC[N@H+](Cc4ccccc4)C3)cs2)o1 ZINC000031541937 820823244 /nfs/dbraw/zinc/82/32/44/820823244.db2.gz CVCOJHWFSHKLQV-SFHVURJKSA-N 1 0 395.528 4.035 20 0 GIADRO CC(C)c1c(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)cnn1-c1ccc(F)cc1 ZINC000060091586 823507527 /nfs/dbraw/zinc/50/75/27/823507527.db2.gz FJHFFZJQNVWVAN-QGZVFWFLSA-N 1 0 386.515 4.129 20 0 GIADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1c(F)ccc(SCC2CC2)c1F ZINC000410647452 823507801 /nfs/dbraw/zinc/50/78/01/823507801.db2.gz ODYXLQHJEIZUGE-CYBMUJFWSA-N 1 0 382.520 4.269 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)[C@H]2C[C@H]2c2ccccc2C(F)(F)F)c1 ZINC000123423831 823507835 /nfs/dbraw/zinc/50/78/35/823507835.db2.gz BXKHMONKYSXVGM-ROUUACIJSA-N 1 0 376.422 4.187 20 0 GIADRO CCOCCCNC(=O)C1CC[NH+](Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000177653560 823507920 /nfs/dbraw/zinc/50/79/20/823507920.db2.gz TWGNSXXNVIRAGM-UHFFFAOYSA-N 1 0 396.531 4.234 20 0 GIADRO CC[NH+](CC)CCN(C(=O)c1nc(C)oc1C)c1cccc(C(F)(F)F)c1 ZINC000410663464 823508209 /nfs/dbraw/zinc/50/82/09/823508209.db2.gz NNSBJJWBFUOFHY-UHFFFAOYSA-N 1 0 383.414 4.299 20 0 GIADRO COc1ccc2oc(C[NH2+]Cc3cccc(C(=O)NCc4ccco4)c3)cc2c1 ZINC000123438735 823509109 /nfs/dbraw/zinc/50/91/09/823509109.db2.gz WHAWMCBALCUYOZ-UHFFFAOYSA-N 1 0 390.439 4.254 20 0 GIADRO CN(Cc1cccc(Cl)c1)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000060219853 823512505 /nfs/dbraw/zinc/51/25/05/823512505.db2.gz JHNAXQUFQCSUES-UHFFFAOYSA-N 1 0 391.968 4.455 20 0 GIADRO NC(=O)c1ccc(C[NH2+][C@@H](CC2CC2)c2cc(F)cc(Br)c2)cc1 ZINC000189902544 823512175 /nfs/dbraw/zinc/51/21/75/823512175.db2.gz UAJMEDAIQOBBSE-SFHVURJKSA-N 1 0 391.284 4.318 20 0 GIADRO Cc1ccc(-n2ncc(C(=O)NC[C@H](C)[NH+]3CCC(C)CC3)c2C(C)C)cc1 ZINC000060156346 823510103 /nfs/dbraw/zinc/51/01/03/823510103.db2.gz FJAMODCKQIKIEA-IBGZPJMESA-N 1 0 382.552 4.154 20 0 GIADRO C[C@H](CNC(=O)c1cc2ccccc2cc1NC(=O)C1CC1)[NH+]1CCC(C)CC1 ZINC000060156487 823510154 /nfs/dbraw/zinc/51/01/54/823510154.db2.gz ZZSUNVVYPHAEHE-QGZVFWFLSA-N 1 0 393.531 4.039 20 0 GIADRO C[C@H](C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1)n1cnc2ccccc21 ZINC000031812502 820864036 /nfs/dbraw/zinc/86/40/36/820864036.db2.gz WOEJBUWDVQJWCY-XLIONFOSSA-N 1 0 396.560 4.248 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)C[N@H+](CCc2ccc(F)cc2)C2CCCC2)cc1 ZINC000123471343 823512335 /nfs/dbraw/zinc/51/23/35/823512335.db2.gz YCRZGLPVSJIFBU-UHFFFAOYSA-N 1 0 397.494 4.210 20 0 GIADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)c1ccc(-c2ccc(F)cc2)o1 ZINC000031962840 820880231 /nfs/dbraw/zinc/88/02/31/820880231.db2.gz OMSMKNYZDPAJKA-UHFFFAOYSA-N 1 0 388.508 4.177 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1cnc2onc(C(C)C)c2c1)c1ccsc1 ZINC000031984996 820883713 /nfs/dbraw/zinc/88/37/13/820883713.db2.gz AANGJEOUAOCIGD-KRWDZBQOSA-N 1 0 386.521 4.221 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1cc2cnn(C(C)C)c2nc1C)c1ccsc1 ZINC000031985079 820884331 /nfs/dbraw/zinc/88/43/31/820884331.db2.gz YSIPCNLGBCNPNW-IBGZPJMESA-N 1 0 399.564 4.195 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1cc(C2CC2)nc2onc(C)c21)c1ccsc1 ZINC000031985168 820884483 /nfs/dbraw/zinc/88/44/83/820884483.db2.gz VLTVITLVLORIFK-GOSISDBHSA-N 1 0 398.532 4.283 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)COc1ccc2ccccc2c1)c1ccsc1 ZINC000031987127 820885055 /nfs/dbraw/zinc/88/50/55/820885055.db2.gz LUSCWVLRGSAFNK-OAQYLSRUSA-N 1 0 382.529 4.479 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(OC(F)F)c(OC)c1)c1ccsc1 ZINC000031989018 820886268 /nfs/dbraw/zinc/88/62/68/820886268.db2.gz FOUBPLNIANVPGY-HNNXBMFYSA-N 1 0 398.475 4.171 20 0 GIADRO Cc1oc(-c2ccccc2)nc1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000060220750 823512588 /nfs/dbraw/zinc/51/25/88/823512588.db2.gz KOFHNQIQXIFTOU-UHFFFAOYSA-N 1 0 393.512 4.451 20 0 GIADRO O=C(C[NH+]1CCCCCCC1)Nc1ccc(NC(=O)Nc2ccc(O)cc2)cc1 ZINC000189909122 823512647 /nfs/dbraw/zinc/51/26/47/823512647.db2.gz PHSJYNUREOVFBD-UHFFFAOYSA-N 1 0 396.491 4.241 20 0 GIADRO CC(C)[NH+]1CCN(c2ccc(C(=O)N3CC[C@H](C)c4ccccc43)cc2)CC1 ZINC000060219963 823512664 /nfs/dbraw/zinc/51/26/64/823512664.db2.gz WTMJEPHPCUPKIS-IBGZPJMESA-N 1 0 377.532 4.371 20 0 GIADRO O=C(CCc1c[nH]c2ccccc12)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000060240420 823512762 /nfs/dbraw/zinc/51/27/62/823512762.db2.gz SINUNCSUCQLVBV-UHFFFAOYSA-N 1 0 381.545 4.190 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)c2cnc(OC(C)C)c(Cl)c2)CC1 ZINC000123525818 823517645 /nfs/dbraw/zinc/51/76/45/823517645.db2.gz KQDAERCYFSEIFS-UHFFFAOYSA-N 1 0 381.948 4.106 20 0 GIADRO C[C@H](Oc1cccc(Cl)c1)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000060240392 823512861 /nfs/dbraw/zinc/51/28/61/823512861.db2.gz MNFYRXLLSLHYTJ-HNNXBMFYSA-N 1 0 392.952 4.197 20 0 GIADRO CC[C@H](NC(=O)Nc1ccccc1OCC[NH+](CC)CC)c1c(C)noc1C ZINC000123490078 823513957 /nfs/dbraw/zinc/51/39/57/823513957.db2.gz VAHCJROQIHQXJR-KRWDZBQOSA-N 1 0 388.512 4.285 20 0 GIADRO COc1ccc2c(c1)CCC[C@@H]2CC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000060275440 823514041 /nfs/dbraw/zinc/51/40/41/823514041.db2.gz GJJBECFGYCKYLH-IFMALSPDSA-N 1 0 398.591 4.476 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Cc1noc2ccccc21)c1ccccc1Cl ZINC000032316956 820914071 /nfs/dbraw/zinc/91/40/71/820914071.db2.gz WMYAOCYNAUDMOL-LJQANCHMSA-N 1 0 385.895 4.223 20 0 GIADRO FC(F)(F)C1CCC([NH2+]C[C@H](c2cccc(Cl)c2)N2CCOCC2)CC1 ZINC000123498317 823514685 /nfs/dbraw/zinc/51/46/85/823514685.db2.gz KYQWKIITLABVID-VMWRSERWSA-N 1 0 390.877 4.424 20 0 GIADRO Cc1cc(C)n(-c2ccccc2C[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)n1 ZINC000123503932 823515387 /nfs/dbraw/zinc/51/53/87/823515387.db2.gz HZMVHHGIDCUZBW-SFHVURJKSA-N 1 0 390.487 4.297 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc3c(c2)CCCN3C(C)=O)cc1 ZINC000060324595 823515847 /nfs/dbraw/zinc/51/58/47/823515847.db2.gz NJBUBYBGGCBYDD-UHFFFAOYSA-N 1 0 379.504 4.080 20 0 GIADRO CCc1c(C(=O)NCc2ccccc2C[NH+](CC)CC)cnn1-c1ccccc1 ZINC000032426082 820941165 /nfs/dbraw/zinc/94/11/65/820941165.db2.gz FBFXJUHFQBCQIU-UHFFFAOYSA-N 1 0 390.531 4.207 20 0 GIADRO COC(=O)[C@](C)(C[NH2+][C@@H](C)C(=O)Nc1c(C)cccc1C(C)C)c1ccccc1 ZINC000189939898 823516119 /nfs/dbraw/zinc/51/61/19/823516119.db2.gz GUUWTUAUYQCRDA-MHECFPHRSA-N 1 0 396.531 4.166 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)N2CCCCC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000177720222 823516664 /nfs/dbraw/zinc/51/66/64/823516664.db2.gz WRWWMNZNOOXCCB-UXHICEINSA-N 1 0 385.508 4.241 20 0 GIADRO COCc1ccc(C(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)o1 ZINC000123517097 823516679 /nfs/dbraw/zinc/51/66/79/823516679.db2.gz OQQGHQQJQNGSOO-UHFFFAOYSA-N 1 0 378.472 4.085 20 0 GIADRO O=C(CCCc1ncc(-c2ccccc2)o1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000032476973 820955015 /nfs/dbraw/zinc/95/50/15/820955015.db2.gz RUKKOOIHJFSFIB-LJQANCHMSA-N 1 0 393.487 4.211 20 0 GIADRO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000032483515 820957072 /nfs/dbraw/zinc/95/70/72/820957072.db2.gz NDZVCPIHFJFTHE-GOEBONIOSA-N 1 0 395.330 4.050 20 0 GIADRO Cc1csc2nc(C[N@@H+](C)[C@@H](C)[C@@H](C)c3ccc(Cl)cc3)cc(=O)n12 ZINC000177741886 823518988 /nfs/dbraw/zinc/51/89/88/823518988.db2.gz YNTLGJZEWPVFRF-KGLIPLIRSA-N 1 0 375.925 4.342 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1csc(Cc2ccccc2)n1 ZINC000032655400 820984220 /nfs/dbraw/zinc/98/42/20/820984220.db2.gz CINWORASVJZAJG-UHFFFAOYSA-N 1 0 391.540 4.128 20 0 GIADRO Cc1cc(C(F)(F)F)ncc1NC(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000410870805 823519639 /nfs/dbraw/zinc/51/96/39/823519639.db2.gz FAPBQBBDGMXEPB-GHMZBOCLSA-N 1 0 397.363 4.256 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(Cl)c(Cl)n3C)c(C)c2)CC1 ZINC000032710760 820995579 /nfs/dbraw/zinc/99/55/79/820995579.db2.gz AFENHLPGQAGLIW-UHFFFAOYSA-N 1 0 395.334 4.035 20 0 GIADRO Cc1cccc(-c2nc(CC(=O)NC[C@H](c3cccc(F)c3)[NH+](C)C)cs2)c1 ZINC000032729678 820998481 /nfs/dbraw/zinc/99/84/81/820998481.db2.gz JTFWZMBFSKBDGD-HXUWFJFHSA-N 1 0 397.519 4.219 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1csc(-c2cccs2)n1)c1cccc(F)c1 ZINC000032729769 820998632 /nfs/dbraw/zinc/99/86/32/820998632.db2.gz LZVVSNRLYWHCHM-HNNXBMFYSA-N 1 0 375.494 4.043 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1ccccc1SC(F)(F)F)c1cccc(F)c1 ZINC000032731723 820999523 /nfs/dbraw/zinc/99/95/23/820999523.db2.gz DIQVGLNBJLEWDS-HNNXBMFYSA-N 1 0 386.414 4.470 20 0 GIADRO C[C@@H](CNC(=O)c1cc(-c2ccncc2)nc2ccccc21)[N@@H+]1CCCC[C@H]1C ZINC000032732287 820999603 /nfs/dbraw/zinc/99/96/03/820999603.db2.gz KALZWUTYKXUMNQ-MSOLQXFVSA-N 1 0 388.515 4.290 20 0 GIADRO Cc1noc2nc(-c3ccccc3)cc(C(=O)NC[C@H](C)[N@@H+]3CCCC[C@H]3C)c12 ZINC000032734967 821001188 /nfs/dbraw/zinc/00/11/88/821001188.db2.gz QATINHXBHCMKCV-CVEARBPZSA-N 1 0 392.503 4.191 20 0 GIADRO Cc1nc(Cc2ccc(F)cc2)sc1C(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000032737634 821001791 /nfs/dbraw/zinc/00/17/91/821001791.db2.gz XKWYCAKZAGPEMU-CABCVRRESA-N 1 0 389.540 4.174 20 0 GIADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1occc1COc1ccccc1 ZINC000032762303 821004201 /nfs/dbraw/zinc/00/42/01/821004201.db2.gz BBOIYOILFQUIPG-LJQANCHMSA-N 1 0 396.512 4.487 20 0 GIADRO Cc1onc(-c2ccc(F)cc2)c1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000032762992 821005199 /nfs/dbraw/zinc/00/51/99/821005199.db2.gz WKHZYEOFXTYYKT-QGZVFWFLSA-N 1 0 399.491 4.418 20 0 GIADRO CCCn1ncc(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)c1C1CC1 ZINC000123583997 823523824 /nfs/dbraw/zinc/52/38/24/823523824.db2.gz OQLOJKNTDAHXAT-GOSISDBHSA-N 1 0 394.563 4.332 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)c1ccc(F)c(Br)c1 ZINC000177771768 823523936 /nfs/dbraw/zinc/52/39/36/823523936.db2.gz ZSLABAQMGKADTC-ZDUSSCGKSA-N 1 0 389.272 4.079 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]2C)c1)c1ccccc1 ZINC000032950218 821021996 /nfs/dbraw/zinc/02/19/96/821021996.db2.gz UHLVIWXSNKNEGV-MTNREXPMSA-N 1 0 393.531 4.094 20 0 GIADRO Cc1ccc(-c2nc(CC(=O)NCc3cccc(C[NH+](C)C)c3)cs2)cc1 ZINC000033084980 821031966 /nfs/dbraw/zinc/03/19/66/821031966.db2.gz NMDRYXFSFVWCDG-UHFFFAOYSA-N 1 0 379.529 4.039 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)c2ccccc2C(=O)c2ccc(F)cc2)c1 ZINC000033089606 821032000 /nfs/dbraw/zinc/03/20/00/821032000.db2.gz VLCKUKPOXOGYFT-UHFFFAOYSA-N 1 0 390.458 4.048 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)c1 ZINC000033084539 821032128 /nfs/dbraw/zinc/03/21/28/821032128.db2.gz HQFQTEYCSIWXMT-UHFFFAOYSA-N 1 0 383.492 4.025 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)c2csc(-c3ccc(Cl)cc3)n2)c1 ZINC000033085036 821032138 /nfs/dbraw/zinc/03/21/38/821032138.db2.gz VOVCJYIGHPHLPK-UHFFFAOYSA-N 1 0 385.920 4.455 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)CCOc2ccccc2-c2ccccc2)CC1 ZINC000060404257 823524084 /nfs/dbraw/zinc/52/40/84/823524084.db2.gz UXEBZUHFCARZCQ-UHFFFAOYSA-N 1 0 380.532 4.455 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)c2nc(-c3ccccc3)n3c2CCCCC3)CC1 ZINC000060404054 823524093 /nfs/dbraw/zinc/52/40/93/823524093.db2.gz SQSXVQIEYSHJST-UHFFFAOYSA-N 1 0 394.563 4.223 20 0 GIADRO COc1ccc2oc(C(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3C)c(C)c2c1 ZINC000060389918 823522946 /nfs/dbraw/zinc/52/29/46/823522946.db2.gz LFSTUZUZYSXNGJ-UHFFFAOYSA-N 1 0 393.487 4.062 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)c2occc2COc2ccccc2)CC1 ZINC000123588076 823524105 /nfs/dbraw/zinc/52/41/05/823524105.db2.gz IXPLASRJQPUNFM-UHFFFAOYSA-N 1 0 384.520 4.443 20 0 GIADRO Cc1cc(C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)c(C)n1Cc1ccccc1 ZINC000060395105 823523327 /nfs/dbraw/zinc/52/33/27/823523327.db2.gz CXTCHOGBXACWGB-UHFFFAOYSA-N 1 0 381.564 4.346 20 0 GIADRO CCS[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000190025534 823527737 /nfs/dbraw/zinc/52/77/37/823527737.db2.gz LKHRVIABWBFGSP-ZMSDIMECSA-N 1 0 391.606 4.297 20 0 GIADRO Cc1cc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc(C)c1OCc1cccnc1 ZINC000033229527 821051690 /nfs/dbraw/zinc/05/16/90/821051690.db2.gz OUVRCEGEOZTJTK-UHFFFAOYSA-N 1 0 395.547 4.316 20 0 GIADRO Cc1nc(CC(C)C)oc1C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000190026954 823527913 /nfs/dbraw/zinc/52/79/13/823527913.db2.gz VEWJWVSSMVODOO-UHFFFAOYSA-N 1 0 389.927 4.229 20 0 GIADRO COc1c(Br)cc(Br)cc1C[NH2+]CCc1ccco1 ZINC000034992632 821063324 /nfs/dbraw/zinc/06/33/24/821063324.db2.gz BULFHEFZCSWLKI-UHFFFAOYSA-N 1 0 389.087 4.146 20 0 GIADRO C[C@H]([NH2+]CCCS(=O)(=O)c1ccccc1)c1ccc(-c2ccncc2)cc1 ZINC000177811404 823528762 /nfs/dbraw/zinc/52/87/62/823528762.db2.gz KCFFMHJCXMPNAG-SFHVURJKSA-N 1 0 380.513 4.263 20 0 GIADRO Cc1ccc([C@H](CNC(=O)Cc2csc(-c3ccccc3)n2)[NH+](C)C)cc1 ZINC000036193074 821069482 /nfs/dbraw/zinc/06/94/82/821069482.db2.gz RKRXURZEGNADFZ-FQEVSTJZSA-N 1 0 379.529 4.080 20 0 GIADRO O=C(Cc1c[nH]c2ccccc12)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000036350616 821071855 /nfs/dbraw/zinc/07/18/55/821071855.db2.gz TXPPGZJLTZIOQS-NRFANRHFSA-N 1 0 381.907 4.317 20 0 GIADRO O=C(Cc1coc2cc3c(cc12)CCC3)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000036811860 821085747 /nfs/dbraw/zinc/08/57/47/821085747.db2.gz GETIHDYXKLQCBC-NRFANRHFSA-N 1 0 392.499 4.400 20 0 GIADRO COc1cc(C)c([C@@H](C)[NH2+]C[C@H](O)c2ccccc2C(F)(F)F)cc1OC ZINC000177779105 823525033 /nfs/dbraw/zinc/52/50/33/823525033.db2.gz UIICICINHBTWAE-DYVFJYSZSA-N 1 0 383.410 4.415 20 0 GIADRO C[C@@H]([NH2+]C[C@H](O)c1ccccc1C(F)(F)F)c1cccc(N2CCOC2=O)c1 ZINC000177779488 823525064 /nfs/dbraw/zinc/52/50/64/823525064.db2.gz DFPLMSOAXOISPX-ACJLOTCBSA-N 1 0 394.393 4.046 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3nc(Cl)ccc3Cl)c(C)c2)CC1 ZINC000036877574 821088552 /nfs/dbraw/zinc/08/85/52/821088552.db2.gz FSBVBDVOXDELAV-UHFFFAOYSA-N 1 0 393.318 4.091 20 0 GIADRO COc1ccc(C[NH2+]Cc2ccc(Br)s2)cc1OC(F)F ZINC000037985145 821094245 /nfs/dbraw/zinc/09/42/45/821094245.db2.gz AMMYRTSYKOUHIO-UHFFFAOYSA-N 1 0 378.238 4.410 20 0 GIADRO COc1cccc(NC(=O)[C@H]([NH2+]CCc2ccc(F)cc2)c2ccccc2)c1 ZINC000038431262 821095712 /nfs/dbraw/zinc/09/57/12/821095712.db2.gz YQLATCSQPIGPEE-JOCHJYFZSA-N 1 0 378.447 4.346 20 0 GIADRO Cc1cc(C)c(NC(=S)NCC2([NH+]3CCOCC3)CCCCC2)c(Cl)c1 ZINC000038411105 821095910 /nfs/dbraw/zinc/09/59/10/821095910.db2.gz XUISDZZQLVBGHW-UHFFFAOYSA-N 1 0 396.000 4.278 20 0 GIADRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)c1cccc(Br)c1 ZINC000038583409 821097895 /nfs/dbraw/zinc/09/78/95/821097895.db2.gz ICPULNRDCPPDEJ-UHFFFAOYSA-N 1 0 387.321 4.091 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000038583664 821098024 /nfs/dbraw/zinc/09/80/24/821098024.db2.gz FNNVGHZBCHBFIW-UHFFFAOYSA-N 1 0 387.911 4.382 20 0 GIADRO Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000039196530 821103488 /nfs/dbraw/zinc/10/34/88/821103488.db2.gz ZNKZWRADRATWER-UHFFFAOYSA-N 1 0 387.911 4.394 20 0 GIADRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]C[C@@H](O)COc3ccccc3)s2)cc1 ZINC000177798096 823527249 /nfs/dbraw/zinc/52/72/49/823527249.db2.gz SBLASCAEPSIWSR-CRAIPNDOSA-N 1 0 398.528 4.218 20 0 GIADRO COCCC1(CNC(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)CCC1 ZINC000177819722 823530460 /nfs/dbraw/zinc/53/04/60/823530460.db2.gz SIBKQSBBIIGIHX-UHFFFAOYSA-N 1 0 380.532 4.255 20 0 GIADRO CCSc1cc(Cl)ccc1C(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000460860514 823530831 /nfs/dbraw/zinc/53/08/31/823530831.db2.gz QSVLFGUTLWQQKT-GOSISDBHSA-N 1 0 392.952 4.493 20 0 GIADRO C[C@@H]1C[NH+](CCCCNC(=O)Cc2coc3ccc4ccccc4c23)C[C@@H](C)O1 ZINC000123682262 823531434 /nfs/dbraw/zinc/53/14/34/823531434.db2.gz NVMSJPXKFNIMSM-QZTJIDSGSA-N 1 0 394.515 4.134 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)[C@H]2C[C@H]2c2ccccc2C(F)(F)F)cc1 ZINC000123688243 823531697 /nfs/dbraw/zinc/53/16/97/823531697.db2.gz NSHIUKSKRITZEZ-ROUUACIJSA-N 1 0 376.422 4.187 20 0 GIADRO CCOc1ccc(CC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000060475251 823532195 /nfs/dbraw/zinc/53/21/95/823532195.db2.gz CJDAVZMCKHOBNV-LJQANCHMSA-N 1 0 380.532 4.319 20 0 GIADRO O=C(Nc1ccc(Cl)cn1)C1CC[NH+](Cc2ccc(OC(F)F)cc2)CC1 ZINC000060478436 823532620 /nfs/dbraw/zinc/53/26/20/823532620.db2.gz RVLDQPRLLWRZRN-UHFFFAOYSA-N 1 0 395.837 4.187 20 0 GIADRO COc1ccc(CCC(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)cc1 ZINC000040615952 821162339 /nfs/dbraw/zinc/16/23/39/821162339.db2.gz OAVYLPHRCOEGGP-HSZRJFAPSA-N 1 0 380.532 4.217 20 0 GIADRO CC(C)=CCOc1cccc(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000460871390 823533377 /nfs/dbraw/zinc/53/33/77/823533377.db2.gz BTCNUAFCMSPZGR-QFIPXVFZSA-N 1 0 392.543 4.326 20 0 GIADRO CCCCOc1ccc(C(=O)N2CCC([NH+](C)C)CC2)cc1OCCCC ZINC000060506920 823535698 /nfs/dbraw/zinc/53/56/98/823535698.db2.gz HJAUIEHJBKJGCG-UHFFFAOYSA-N 1 0 376.541 4.211 20 0 GIADRO C[C@H](NC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1)c1nc2ccccc2[nH]1 ZINC000177835700 823533647 /nfs/dbraw/zinc/53/36/47/823533647.db2.gz AQKWIWOZGSHSSV-ROUUACIJSA-N 1 0 397.567 4.310 20 0 GIADRO CCCc1noc2nc(C3CC3)cc(C(=O)NC[C@@H](c3cccs3)[NH+](C)C)c12 ZINC000060489580 823533981 /nfs/dbraw/zinc/53/39/81/823533981.db2.gz FBRIQHPBLUNXTO-KRWDZBQOSA-N 1 0 398.532 4.147 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)CSc1nc2ccccc2o1)c1ccsc1 ZINC000041441183 821192829 /nfs/dbraw/zinc/19/28/29/821192829.db2.gz SRTIWGYOBLUIEB-INIZCTEOSA-N 1 0 389.546 4.181 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)c2cc(F)c(Cl)cc2Cl)C1 ZINC000177842785 823534961 /nfs/dbraw/zinc/53/49/61/823534961.db2.gz HMGDJWWDIJDHTM-RYUDHWBXSA-N 1 0 376.303 4.177 20 0 GIADRO Cc1ccc[n+](C(C(=O)c2ccc(Cl)cc2Cl)C(=S)NC2CC2)c1 ZINC000041465704 821194630 /nfs/dbraw/zinc/19/46/30/821194630.db2.gz JZLNVOCKQWMEBJ-UHFFFAOYSA-O 1 0 380.320 4.280 20 0 GIADRO O=C(C[C@@H](Cc1ccccc1)c1ccccc1)N1CCC([NH+]2CCCC2)CC1 ZINC000460886693 823536151 /nfs/dbraw/zinc/53/61/51/823536151.db2.gz YRRLIARJISUMQR-HSZRJFAPSA-N 1 0 376.544 4.490 20 0 GIADRO CCN(C(=O)N[C@H](C[N@H+](C)Cc1ccccc1)C(C)C)[C@@H]1CCOC(C)(C)C1 ZINC000460889572 823536511 /nfs/dbraw/zinc/53/65/11/823536511.db2.gz NORAKBPIIDOAFP-NHCUHLMSSA-N 1 0 389.584 4.132 20 0 GIADRO CC(C)(C)[N@@H+]1CCCN(C(=O)NCc2ccc(COc3ccccc3)cc2)CC1 ZINC000060547447 823540859 /nfs/dbraw/zinc/54/08/59/823540859.db2.gz YYZGIPKZSGHIFE-UHFFFAOYSA-N 1 0 395.547 4.281 20 0 GIADRO CSc1ccc(Cl)c(C(=O)Nc2ccc(CN3CC[NH+](C)CC3)cc2)c1 ZINC000041664535 821216537 /nfs/dbraw/zinc/21/65/37/821216537.db2.gz RLLZHGAGEANCOC-UHFFFAOYSA-N 1 0 389.952 4.062 20 0 GIADRO CCN(CC)C(=O)c1ccc(NC(=O)c2ccc(C[NH+](CC)CC)cc2)cc1 ZINC000041766145 821225925 /nfs/dbraw/zinc/22/59/25/821225925.db2.gz KCBNPOSONJAKFG-UHFFFAOYSA-N 1 0 381.520 4.263 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)Nc1ccccc1-c1ccccc1 ZINC000041786460 821230036 /nfs/dbraw/zinc/23/00/36/821230036.db2.gz ONKJOKMCLXEDHQ-IBGZPJMESA-N 1 0 393.531 4.063 20 0 GIADRO CC(C)(CNC(=O)CCc1ncc(-c2ccccc2Cl)o1)[NH+]1CCCCC1 ZINC000041798013 821231619 /nfs/dbraw/zinc/23/16/19/821231619.db2.gz ZKUVEPHLMBQQKM-UHFFFAOYSA-N 1 0 389.927 4.308 20 0 GIADRO CCc1cc2c(C[NH+]3CCC([C@@H](O)c4ccccc4)CC3)cc(=O)oc2cc1O ZINC000041840670 821235799 /nfs/dbraw/zinc/23/57/99/821235799.db2.gz UBMMNSAWDWBVMB-DEOSSOPVSA-N 1 0 393.483 4.007 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)c2ncoc2-c2ccc(C)cc2)[NH+]2CCCC2)o1 ZINC000460900481 823538429 /nfs/dbraw/zinc/53/84/29/823538429.db2.gz WAVXKKUXZMJVIR-GOSISDBHSA-N 1 0 379.460 4.118 20 0 GIADRO COc1cc(CNC[C@]2([NH+](C)C)CCC[C@H](C)C2)ccc1OCc1ccncc1 ZINC000060528157 823538521 /nfs/dbraw/zinc/53/85/21/823538521.db2.gz RHNRNRMFFCBCQO-CYFREDJKSA-N 1 0 397.563 4.269 20 0 GIADRO CC(C)(C)[N@@H+]1CCCN(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000060535431 823539585 /nfs/dbraw/zinc/53/95/85/823539585.db2.gz LARJTKRHBDBTAG-MRXNPFEDSA-N 1 0 381.973 4.393 20 0 GIADRO CCCCNC(=O)c1ccc(C[NH2+][C@H](C)c2cnn(Cc3ccccc3)c2)cc1 ZINC000177878912 823540246 /nfs/dbraw/zinc/54/02/46/823540246.db2.gz VOTINZAAGLUCHF-LJQANCHMSA-N 1 0 390.531 4.312 20 0 GIADRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]C1CCN(C(=O)C(C)(C)C)CC1 ZINC000177885921 823541360 /nfs/dbraw/zinc/54/13/60/823541360.db2.gz JQDLHOVUQKDWNC-AWEZNQCLSA-N 1 0 381.358 4.007 20 0 GIADRO COc1cccc([C@H]2CCC[N@@H+]2Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)c1 ZINC000042122682 821269839 /nfs/dbraw/zinc/26/98/39/821269839.db2.gz RZSHFPKHCJPVKR-TZIWHRDSSA-N 1 0 398.466 4.069 20 0 GIADRO COc1ccc2c(c1)CCN2C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000060545143 823540402 /nfs/dbraw/zinc/54/04/02/823540402.db2.gz AFINQYMODXHHGV-GOSISDBHSA-N 1 0 393.531 4.199 20 0 GIADRO CCN(C(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1)c1ccccc1 ZINC000042132457 821271847 /nfs/dbraw/zinc/27/18/47/821271847.db2.gz FPKQTGPKKOPWTA-ROUUACIJSA-N 1 0 377.488 4.449 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@@H](C)C(=O)NCc2ccc(C)cc2)ccc1OC(C)C ZINC000042182949 821279594 /nfs/dbraw/zinc/27/95/94/821279594.db2.gz NVWYPLDPVCFGLO-ROUUACIJSA-N 1 0 384.520 4.146 20 0 GIADRO COc1cc(C[NH2+]C[C@H]2COc3ccccc3C2)ccc1OCc1ccncc1 ZINC000042186834 821281298 /nfs/dbraw/zinc/28/12/98/821281298.db2.gz RNZCLJHWMODSMA-FQEVSTJZSA-N 1 0 390.483 4.010 20 0 GIADRO CCNC(=O)COc1ccc(C[NH2+][C@@H](CC)c2ccc(Cl)cc2)cc1OC ZINC000042205990 821284028 /nfs/dbraw/zinc/28/40/28/821284028.db2.gz IKIAZTJKGPCHRZ-SFHVURJKSA-N 1 0 390.911 4.104 20 0 GIADRO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]Cc2ccc(N(C)C)nc2)o1 ZINC000042227592 821287734 /nfs/dbraw/zinc/28/77/34/821287734.db2.gz CVAOVIOMYATAPU-UHFFFAOYSA-N 1 0 387.487 4.192 20 0 GIADRO COc1ccc([C@H](C)[NH2+]Cc2cnn(Cc3ccccc3Cl)c2)c(OC)c1 ZINC000042230687 821288920 /nfs/dbraw/zinc/28/89/20/821288920.db2.gz GJPGMRJXGBYIRU-HNNXBMFYSA-N 1 0 385.895 4.453 20 0 GIADRO CC1(C)CC(NC(=O)NCc2cccc(COCc3ccco3)c2)CC(C)(C)[NH2+]1 ZINC000042345148 821302550 /nfs/dbraw/zinc/30/25/50/821302550.db2.gz CAKRMLFTNZTCIV-UHFFFAOYSA-N 1 0 399.535 4.105 20 0 GIADRO COc1cccc([C@@H](CNC(=O)c2sccc2-c2ccccc2)[NH+](C)C)c1 ZINC000042674032 821323846 /nfs/dbraw/zinc/32/38/46/821323846.db2.gz OFJPHEMKWYHHSH-HXUWFJFHSA-N 1 0 380.513 4.456 20 0 GIADRO C[C@H](C(=O)NC1CCCC1)[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000042742793 821330097 /nfs/dbraw/zinc/33/00/97/821330097.db2.gz PSSABIXLAJWDSX-CYBMUJFWSA-N 1 0 375.900 4.108 20 0 GIADRO CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2ccccc2C[NH+](C)C)CC1=O ZINC000042752542 821330581 /nfs/dbraw/zinc/33/05/81/821330581.db2.gz ODQIKUICEBCOMQ-MJGOQNOKSA-N 1 0 393.531 4.253 20 0 GIADRO O=C(NCc1nc2ccccc2s1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000042816231 821335292 /nfs/dbraw/zinc/33/52/92/821335292.db2.gz MEXNFCSRMLPKFJ-UHFFFAOYSA-N 1 0 386.565 4.094 20 0 GIADRO COc1ccc([C@@H](CNC(=O)N2CCC[C@@H]2c2ccsc2)[NH+]2CCCC2)cc1 ZINC000043111415 821362506 /nfs/dbraw/zinc/36/25/06/821362506.db2.gz IKCRMXKSYDAJNI-NHCUHLMSSA-N 1 0 399.560 4.440 20 0 GIADRO CCCCOc1c(Cl)cc(C(=O)N(C)C2CC[NH+](C(C)C)CC2)cc1OC ZINC000043115084 821363095 /nfs/dbraw/zinc/36/30/95/821363095.db2.gz NXJAEJPPNLHEOF-UHFFFAOYSA-N 1 0 396.959 4.472 20 0 GIADRO O=C(NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1)Nc1nncs1 ZINC000043129835 821364412 /nfs/dbraw/zinc/36/44/12/821364412.db2.gz OHFDGGMDHYWKHV-UHFFFAOYSA-N 1 0 393.516 4.123 20 0 GIADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)Nc1ccccc1Br ZINC000043133601 821365379 /nfs/dbraw/zinc/36/53/79/821365379.db2.gz JBOKUGQCJFNLGC-OAHLLOKOSA-N 1 0 394.338 4.469 20 0 GIADRO CSc1cccc(NC(=O)NCCC[NH+]2CCN(c3cccc(C)c3)CC2)c1 ZINC000043157017 821369940 /nfs/dbraw/zinc/36/99/40/821369940.db2.gz RVVBXVVYRYPDAM-UHFFFAOYSA-N 1 0 398.576 4.051 20 0 GIADRO C[C@@H](c1nc2ccccc2s1)N(C)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000043167286 821371733 /nfs/dbraw/zinc/37/17/33/821371733.db2.gz GNYHIEUPAALMSB-DOTOQJQBSA-N 1 0 398.532 4.429 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CCCCC[C@@H]1c1ccncc1 ZINC000043167296 821371876 /nfs/dbraw/zinc/37/18/76/821371876.db2.gz YIKVGRRCXYWQAM-WOJBJXKFSA-N 1 0 382.508 4.138 20 0 GIADRO CCN(Cc1cccc(Cl)c1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000043167326 821372099 /nfs/dbraw/zinc/37/20/99/821372099.db2.gz YCPRTCFNGDUBCG-GOSISDBHSA-N 1 0 375.900 4.302 20 0 GIADRO CN(Cc1csc2ccccc12)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000043167772 821372173 /nfs/dbraw/zinc/37/21/73/821372173.db2.gz VECRCNSPNJIYJX-SFHVURJKSA-N 1 0 383.517 4.473 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N(Cc1ccco1)Cc1ccccc1 ZINC000043167439 821372500 /nfs/dbraw/zinc/37/25/00/821372500.db2.gz IUVIUWBGHHXZQF-NRFANRHFSA-N 1 0 393.487 4.422 20 0 GIADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Nc2c(C(C)C)cccc2C(C)C)C1 ZINC000043171395 821373620 /nfs/dbraw/zinc/37/36/20/821373620.db2.gz XMTATLZYMSSYLF-SFHVURJKSA-N 1 0 375.557 4.412 20 0 GIADRO C[NH+]1CCC(NC(=O)N[C@@H](c2cccs2)c2ccc3c(c2)CCCC3)CC1 ZINC000043180373 821374725 /nfs/dbraw/zinc/37/47/25/821374725.db2.gz IVZWZWWPNMUHOM-OAQYLSRUSA-N 1 0 383.561 4.110 20 0 GIADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N(Cc1cccs1)C1CC1 ZINC000043231468 821378063 /nfs/dbraw/zinc/37/80/63/821378063.db2.gz RAMLWCOLHJDZGS-QGZVFWFLSA-N 1 0 375.563 4.321 20 0 GIADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N1CCC[C@H]1c1ccsc1 ZINC000043231555 821378206 /nfs/dbraw/zinc/37/82/06/821378206.db2.gz NKVXVEBEGLLINH-DLBZAZTESA-N 1 0 375.563 4.493 20 0 GIADRO CC[C@H]([NH2+]Cc1cc(=O)oc2c(C)c(C)ccc12)c1ccc2c(c1)OCCO2 ZINC000180648279 821381305 /nfs/dbraw/zinc/38/13/05/821381305.db2.gz OSCBQWDSNDZUMH-IBGZPJMESA-N 1 0 379.456 4.422 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)Nc1ccc(-c2nccs2)cc1 ZINC000180656257 821384596 /nfs/dbraw/zinc/38/45/96/821384596.db2.gz RFKQEZAQOWCWRG-UHFFFAOYSA-N 1 0 393.516 4.243 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)c2cc(-c3ccccc3OC)on2)c1 ZINC000043274119 821385096 /nfs/dbraw/zinc/38/50/96/821385096.db2.gz IBLAJLUCDZCZAS-UHFFFAOYSA-N 1 0 393.487 4.122 20 0 GIADRO Cc1ccc(Br)c(NC(=O)N2CCC(CCC[NH+](C)C)CC2)c1 ZINC000180664987 821387562 /nfs/dbraw/zinc/38/75/62/821387562.db2.gz PCIBHPWYCYXLEG-UHFFFAOYSA-N 1 0 382.346 4.343 20 0 GIADRO CCOc1cccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)c1 ZINC000180669544 821389270 /nfs/dbraw/zinc/38/92/70/821389270.db2.gz MEEXQBMWZDROLR-ROUUACIJSA-N 1 0 381.520 4.363 20 0 GIADRO COc1cccc([C@@H](CNC(=O)N(Cc2ccccc2)C2CC2)[NH+]2CCCC2)c1 ZINC000043306863 821389429 /nfs/dbraw/zinc/38/94/29/821389429.db2.gz SPVHHLHUPVEVIE-HSZRJFAPSA-N 1 0 393.531 4.206 20 0 GIADRO CCOc1cccc([C@@H](C)[NH2+][C@H](C)C(=O)N(C)Cc2nc3ccccc3s2)c1 ZINC000180680382 821393518 /nfs/dbraw/zinc/39/35/18/821393518.db2.gz TZNZSSJQQHPESP-HZPDHXFCSA-N 1 0 397.544 4.393 20 0 GIADRO Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000180690350 821396845 /nfs/dbraw/zinc/39/68/45/821396845.db2.gz KYTVLQZRAIYMDP-RDTXWAMCSA-N 1 0 380.410 4.054 20 0 GIADRO CC[C@H]([NH2+]CCCC(=O)N1CCc2cc(OC)c(OC)cc2C1)c1ccccc1 ZINC000180696103 821399783 /nfs/dbraw/zinc/39/97/83/821399783.db2.gz ZLUWFZKKOZMQKT-NRFANRHFSA-N 1 0 396.531 4.110 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)NCc1cn2ccccc2n1)C1CCCCC1 ZINC000043391357 821401038 /nfs/dbraw/zinc/40/10/38/821401038.db2.gz VZBWVSKRIRIRIG-UHFFFAOYSA-N 1 0 391.519 4.421 20 0 GIADRO CN(C)[C@@H](CNC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)c1ccco1 ZINC000043391377 821401182 /nfs/dbraw/zinc/40/11/82/821401182.db2.gz YHJMYBDALXZRIZ-NRFANRHFSA-N 1 0 398.551 4.469 20 0 GIADRO CCOc1ccc(NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1OCC ZINC000043416611 821404716 /nfs/dbraw/zinc/40/47/16/821404716.db2.gz PPIASRNJYYGWCR-UHFFFAOYSA-N 1 0 397.519 4.402 20 0 GIADRO O[C@]1(C[NH2+][C@@H](c2ccccc2)c2cc(Br)ccc2F)CCSC1 ZINC000180702832 821405235 /nfs/dbraw/zinc/40/52/35/821405235.db2.gz JKGMIPZIFMSZHZ-ROUUACIJSA-N 1 0 396.325 4.135 20 0 GIADRO C[C@@H]([NH2+]CCc1nc(-c2ccc(Cl)cc2)no1)c1ccc2c(c1)OCCO2 ZINC000180707202 821408436 /nfs/dbraw/zinc/40/84/36/821408436.db2.gz IJYDNDCWNSZIHW-CYBMUJFWSA-N 1 0 385.851 4.055 20 0 GIADRO CCOc1cccc([C@H](C)[NH2+]CC(=O)Nc2ccc(C)cc2Br)c1 ZINC000180708977 821409480 /nfs/dbraw/zinc/40/94/80/821409480.db2.gz SDDJNQPULJJJKY-AWEZNQCLSA-N 1 0 391.309 4.446 20 0 GIADRO O=C(NCc1ccccc1C[N@H+]1CCC[C@H]1CO)Nc1cccc2ccccc21 ZINC000180709635 821409489 /nfs/dbraw/zinc/40/94/89/821409489.db2.gz YCDHFSBOZCUKBM-NRFANRHFSA-N 1 0 389.499 4.118 20 0 GIADRO C[C@@H]1CN(Cc2ccccc2NC(=O)c2cccn2C2CCCC2)C[C@H](C)O1 ZINC000180713062 821411580 /nfs/dbraw/zinc/41/15/80/821411580.db2.gz VIPOBZYCTLZVQY-HDICACEKSA-N 1 0 381.520 4.465 20 0 GIADRO CCN(Cc1ccccc1C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000043490310 821415875 /nfs/dbraw/zinc/41/58/75/821415875.db2.gz JPGATYIHUNKOIH-UHFFFAOYSA-N 1 0 380.536 4.109 20 0 GIADRO CC[C@@H]1c2ccsc2CCN1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000043489864 821415885 /nfs/dbraw/zinc/41/58/85/821415885.db2.gz QESCFBOBCAQRMM-HXUWFJFHSA-N 1 0 398.576 4.350 20 0 GIADRO CC[N@@H+]1CC[C@@H](CNC(=O)c2nc(-c3ccc(Cl)c(Cl)c3)oc2C)C1 ZINC000180720060 821416221 /nfs/dbraw/zinc/41/62/21/821416221.db2.gz MWBKWSCIFPTQFJ-LBPRGKRZSA-N 1 0 382.291 4.028 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N(C)Cc1ccccc1Cl ZINC000043491236 821416322 /nfs/dbraw/zinc/41/63/22/821416322.db2.gz WSGNSMQASDSLJQ-UHFFFAOYSA-N 1 0 386.927 4.064 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CCCNC(=O)c1ccc(F)cc1 ZINC000180722736 821417731 /nfs/dbraw/zinc/41/77/31/821417731.db2.gz NGOPMZGUMZWIHR-AWEZNQCLSA-N 1 0 398.507 4.123 20 0 GIADRO Cc1cc(Br)ccc1C[NH2+][C@H](C)CC(=O)Nc1cccnc1Cl ZINC000180723507 821418394 /nfs/dbraw/zinc/41/83/94/821418394.db2.gz QZJOZSLHQUSGJZ-GFCCVEGCSA-N 1 0 396.716 4.313 20 0 GIADRO C[C@@H]1C[C@H](N[C@H](c2cnn(C)c2)c2cccc(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000180727017 821420179 /nfs/dbraw/zinc/42/01/79/821420179.db2.gz ITYUJMDXYMWNEB-QFWMQHCXSA-N 1 0 392.522 4.291 20 0 GIADRO COc1cc([C@H](C)[NH2+]CCCNC(=O)c2cccc(F)c2)ccc1SC ZINC000180729117 821421561 /nfs/dbraw/zinc/42/15/61/821421561.db2.gz ZISRYESIERSJID-AWEZNQCLSA-N 1 0 376.497 4.027 20 0 GIADRO CCN(Cc1cccc(F)c1)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000043522788 821421788 /nfs/dbraw/zinc/42/17/88/821421788.db2.gz OSPSXIKTMCVBTF-UHFFFAOYSA-N 1 0 398.526 4.330 20 0 GIADRO COc1cc([C@@H](C)[NH2+]C[C@H]2C[C@@H]2c2ccccc2)ccc1S(=O)(=O)C(F)F ZINC000180731373 821422419 /nfs/dbraw/zinc/42/24/19/821422419.db2.gz MCWAHEXYPIXMCX-KBRIMQKVSA-N 1 0 395.471 4.146 20 0 GIADRO CCc1cc2c(ncnc2N2CC[NH+](Cc3cccc4cccnc43)CC2)s1 ZINC000043536355 821423271 /nfs/dbraw/zinc/42/32/71/821423271.db2.gz XCCZBMCMBXURJB-UHFFFAOYSA-N 1 0 389.528 4.124 20 0 GIADRO C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]CC1(N2CCCCC2)CCOCC1 ZINC000180738101 821425812 /nfs/dbraw/zinc/42/58/12/821425812.db2.gz DWDCGSKYDOXZKA-SFHVURJKSA-N 1 0 396.522 4.234 20 0 GIADRO C[C@@H]([NH2+]CCCC(=O)N1Cc2ccccc2C1)c1ccc(Br)s1 ZINC000180750950 821434021 /nfs/dbraw/zinc/43/40/21/821434021.db2.gz VBSSJFIFPSYFDQ-CYBMUJFWSA-N 1 0 393.350 4.484 20 0 GIADRO CC(C)C(=O)Nc1ccc(NC(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)cc1 ZINC000043674243 821439558 /nfs/dbraw/zinc/43/95/58/821439558.db2.gz MJLYTXDAOGQWHO-FQEVSTJZSA-N 1 0 388.556 4.159 20 0 GIADRO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@H](C)C(=O)Nc1ccccc1 ZINC000180761733 821439949 /nfs/dbraw/zinc/43/99/49/821439949.db2.gz QPQWXCPYUNERQR-ZIAGYGMSSA-N 1 0 393.409 4.039 20 0 GIADRO CC(C)C(=O)Nc1ccc(NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000043675125 821440120 /nfs/dbraw/zinc/44/01/20/821440120.db2.gz LELFXKMUHYLVFY-NRFANRHFSA-N 1 0 394.519 4.240 20 0 GIADRO CCC(CC)c1nnc(NC(=O)N(CC[NH+](C)C)Cc2ccccc2)s1 ZINC000043698046 821443144 /nfs/dbraw/zinc/44/31/44/821443144.db2.gz BDTCARYUICHJNS-UHFFFAOYSA-N 1 0 375.542 4.037 20 0 GIADRO CCN(CC)C(=O)CCC1CC[NH+](Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC000180769967 821444606 /nfs/dbraw/zinc/44/46/06/821444606.db2.gz CWBNCMFAJIBCQH-UHFFFAOYSA-N 1 0 386.458 4.288 20 0 GIADRO O=C(CC1CCC(C(F)(F)F)CC1)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC000180770012 821445217 /nfs/dbraw/zinc/44/52/17/821445217.db2.gz GJUIVSYVLVUHQH-UHFFFAOYSA-N 1 0 398.469 4.341 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@@H]1c1c(C)n[nH]c1C)c1ccsc1 ZINC000180771834 821446044 /nfs/dbraw/zinc/44/60/44/821446044.db2.gz FCUCYQNHOSCAJJ-MSOLQXFVSA-N 1 0 389.569 4.018 20 0 GIADRO Cc1cc(C)n(-c2ccccc2C[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)n1 ZINC000180772448 821446461 /nfs/dbraw/zinc/44/64/61/821446461.db2.gz DJHFPTHWGBDSIY-UHFFFAOYSA-N 1 0 398.551 4.415 20 0 GIADRO O=C(N[C@@H](c1ccc(Cl)cc1)C1CC1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000043717997 821446601 /nfs/dbraw/zinc/44/66/01/821446601.db2.gz JXTGQMDYGLBLJQ-HXUWFJFHSA-N 1 0 375.944 4.309 20 0 GIADRO Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000180771984 821446701 /nfs/dbraw/zinc/44/67/01/821446701.db2.gz KCBVHJDXXHNTSS-LJQANCHMSA-N 1 0 382.895 4.192 20 0 GIADRO CC[C@@H](C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)c1ccc(OC)cc1 ZINC000180773478 821447947 /nfs/dbraw/zinc/44/79/47/821447947.db2.gz HWJRIYKLOMGWDM-HSZRJFAPSA-N 1 0 380.532 4.312 20 0 GIADRO CN(C(=O)C[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccc1)c1nccs1 ZINC000180786923 821457210 /nfs/dbraw/zinc/45/72/10/821457210.db2.gz OWGRHZYLXDBRME-GOSISDBHSA-N 1 0 385.920 4.333 20 0 GIADRO CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]CCNC(=O)c1c(F)cccc1F ZINC000180789403 821459349 /nfs/dbraw/zinc/45/93/49/821459349.db2.gz NHERJJFIFYZZJQ-GFCCVEGCSA-N 1 0 382.838 4.098 20 0 GIADRO O=C(NCC[NH2+][C@H]1CCSc2ccc(Cl)cc21)c1c(F)cccc1F ZINC000180790372 821460038 /nfs/dbraw/zinc/46/00/38/821460038.db2.gz ISXVDECAQVICQD-HNNXBMFYSA-N 1 0 382.863 4.175 20 0 GIADRO CCN(Cc1ccccc1Cl)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000043799714 821460723 /nfs/dbraw/zinc/46/07/23/821460723.db2.gz NIKACYFXPQYIQZ-UHFFFAOYSA-N 1 0 386.927 4.146 20 0 GIADRO Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000180798831 821464609 /nfs/dbraw/zinc/46/46/09/821464609.db2.gz GDPLRHSRTQYDOE-GOSISDBHSA-N 1 0 389.425 4.233 20 0 GIADRO CC(C)(C)S(=O)(=O)CC[NH2+][C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000180805245 821468031 /nfs/dbraw/zinc/46/80/31/821468031.db2.gz UJXMCDGTWXXECT-HNNXBMFYSA-N 1 0 396.553 4.130 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)c2c(C)oc(-n3cccc3)c2C#N)c1 ZINC000043840957 821469585 /nfs/dbraw/zinc/46/95/85/821469585.db2.gz CWTRGFGOAALADT-UHFFFAOYSA-N 1 0 376.460 4.345 20 0 GIADRO Cc1cc(Cl)c(C(=O)Nc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)cc1C ZINC000180816626 821477299 /nfs/dbraw/zinc/47/72/99/821477299.db2.gz VDSNGRWYIHTDOO-UHFFFAOYSA-N 1 0 399.922 4.035 20 0 GIADRO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cccc(OCc4ccccc4F)c3)[C@@H]2C1 ZINC000180817480 821477930 /nfs/dbraw/zinc/47/79/30/821477930.db2.gz JJWPHNOUBFFEHK-PTUXOGIPSA-N 1 0 385.479 4.173 20 0 GIADRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cc(C)c(OCc3ccccc3C)c(C)c2)C1 ZINC000180828768 821483737 /nfs/dbraw/zinc/48/37/37/821483737.db2.gz RVOZGNMOHCFBRU-QFIPXVFZSA-N 1 0 394.559 4.491 20 0 GIADRO C[C@@H]([NH2+]CCNC(=O)c1cccc(Br)c1)c1ccc2ccccc2n1 ZINC000180834344 821486548 /nfs/dbraw/zinc/48/65/48/821486548.db2.gz CZMISXXQVBGLHW-CQSZACIVSA-N 1 0 398.304 4.078 20 0 GIADRO O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000043932220 821490937 /nfs/dbraw/zinc/49/09/37/821490937.db2.gz OFSCOTWXHYBSBN-UHFFFAOYSA-N 1 0 399.454 4.244 20 0 GIADRO NC(=O)c1cccc(CC[NH2+][C@@H](c2ccccc2)c2ccc(OC(F)F)cc2)c1 ZINC000180847268 821492065 /nfs/dbraw/zinc/49/20/65/821492065.db2.gz YZSUDWWHTDTODB-NRFANRHFSA-N 1 0 396.437 4.309 20 0 GIADRO C[C@@H](NC(=O)C[NH2+][C@H](C)c1ccc(-n2cccn2)cc1)c1ccccc1Cl ZINC000180851158 821495362 /nfs/dbraw/zinc/49/53/62/821495362.db2.gz IELCELSXHILKSI-HZPDHXFCSA-N 1 0 382.895 4.054 20 0 GIADRO COc1cc(OC)c(NC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1Cl ZINC000180855284 821496706 /nfs/dbraw/zinc/49/67/06/821496706.db2.gz NGNCXNGAOIMNLI-KBPBESRZSA-N 1 0 395.931 4.132 20 0 GIADRO O=C([C@@H](c1ccccc1)[NH+]1CCC([C@@H](O)c2ccccc2)CC1)N1CCCCC1 ZINC000043998864 821499642 /nfs/dbraw/zinc/49/96/42/821499642.db2.gz KKZXLTRQZCSKQK-RPWUZVMVSA-N 1 0 392.543 4.186 20 0 GIADRO CC(C)(C)OC(=O)NC1CCC([NH2+]C[C@@H](c2ccccc2)C(C)(C)CO)CC1 ZINC000180862267 821500138 /nfs/dbraw/zinc/50/01/38/821500138.db2.gz DEYHQXKTCQRAGE-MHJFOBGBSA-N 1 0 390.568 4.214 20 0 GIADRO Cc1cc(C(=O)Nc2ccc(C)cc2C[NH+](C)C)nn1-c1cccc(Cl)c1 ZINC000180866606 821502336 /nfs/dbraw/zinc/50/23/36/821502336.db2.gz JCWDNAYDKCZULT-UHFFFAOYSA-N 1 0 382.895 4.456 20 0 GIADRO Cc1cccc(-c2nn(Cc3ccccc3)cc2C[N@H+]2CC[C@H]([C@@H](C)O)C2)c1 ZINC000180868417 821503747 /nfs/dbraw/zinc/50/37/47/821503747.db2.gz HHJRBTPRNACEKL-KNQAVFIVSA-N 1 0 375.516 4.110 20 0 GIADRO CCCCOc1c(Cl)cc(C(=O)NC2CC[NH+](CC)CC2)cc1OCC ZINC000044019127 821504667 /nfs/dbraw/zinc/50/46/67/821504667.db2.gz BXIMYRKDGZKJJD-UHFFFAOYSA-N 1 0 382.932 4.132 20 0 GIADRO CC(C)CC(=O)Nc1ccc(NC(=O)NCc2cccc(C[NH+](C)C)c2)cc1 ZINC000044031150 821507354 /nfs/dbraw/zinc/50/73/54/821507354.db2.gz NGCMGOAPOSHFPG-UHFFFAOYSA-N 1 0 382.508 4.055 20 0 GIADRO CC(=O)c1ccc(NC(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)cc1 ZINC000180882375 821511405 /nfs/dbraw/zinc/51/14/05/821511405.db2.gz NNRMVFLSRIYYGQ-UHFFFAOYSA-N 1 0 380.492 4.064 20 0 GIADRO CCN(CC)C(=O)C[C@@H](C)[NH2+][C@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000180892700 821519374 /nfs/dbraw/zinc/51/93/74/821519374.db2.gz SWPAOFNMOFSCNH-HUUCEWRRSA-N 1 0 389.565 4.425 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000180899309 821523610 /nfs/dbraw/zinc/52/36/10/821523610.db2.gz DSRUVSBECJTUDN-JKSUJKDBSA-N 1 0 389.455 4.155 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000180899275 821523666 /nfs/dbraw/zinc/52/36/66/821523666.db2.gz DSRUVSBECJTUDN-HOTGVXAUSA-N 1 0 389.455 4.155 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Nc1cccc(NC(=O)C2CC2)c1)c1ccccc1 ZINC000044103028 821523918 /nfs/dbraw/zinc/52/39/18/821523918.db2.gz DIANYLIWKFJKRS-OAQYLSRUSA-N 1 0 394.519 4.240 20 0 GIADRO CC[NH+](CC)CCOc1ccc(NC(=S)Nc2ccc(C(C)=O)cc2)cc1 ZINC000044104734 821524305 /nfs/dbraw/zinc/52/43/05/821524305.db2.gz CGFLKOWVLBLJLG-UHFFFAOYSA-N 1 0 385.533 4.419 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccc(F)cc1)c1ccc(-c2ccncc2)cc1 ZINC000180900525 821524914 /nfs/dbraw/zinc/52/49/14/821524914.db2.gz MHHNITMPLIOBMY-SJORKVTESA-N 1 0 377.463 4.243 20 0 GIADRO COC(=O)COc1cccc(C[NH2+][C@H](C)[C@H](C)c2nc3ccccc3s2)c1 ZINC000180909202 821530721 /nfs/dbraw/zinc/53/07/21/821530721.db2.gz VZGDVVDEZAKNGS-LSDHHAIUSA-N 1 0 384.501 4.130 20 0 GIADRO CCCCc1nnc(NC(=O)C[NH2+][C@H](C)c2ccc(-c3ccncc3)cc2)s1 ZINC000180914883 821534733 /nfs/dbraw/zinc/53/47/33/821534733.db2.gz YXUYBEBRHOWONT-OAHLLOKOSA-N 1 0 395.532 4.232 20 0 GIADRO COc1ccc(CN2CC[C@H]([NH2+][C@@H](C)c3oc4ccccc4c3C)C2=O)cc1 ZINC000180917256 821536821 /nfs/dbraw/zinc/53/68/21/821536821.db2.gz IIHYMCKNBOHCNJ-JXFKEZNVSA-N 1 0 378.472 4.202 20 0 GIADRO COc1ccc(CN2CC[C@@H]([NH2+][C@@H](C)c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000180919749 821537872 /nfs/dbraw/zinc/53/78/72/821537872.db2.gz MBPGKHPXRJZHOY-IFXJQAMLSA-N 1 0 392.421 4.166 20 0 GIADRO Cn1ccnc1[C@H](NC(=O)Nc1cccc(C[NH+](C)C)c1)c1ccc(Cl)cc1 ZINC000044277387 821558494 /nfs/dbraw/zinc/55/84/94/821558494.db2.gz IEFLLGFIRREHMU-LJQANCHMSA-N 1 0 397.910 4.046 20 0 GIADRO CS(=O)(=O)c1cccc([C@@H]([NH2+][C@H]2CCOC3(CCCC3)C2)c2ccccc2)c1 ZINC000180962495 821558595 /nfs/dbraw/zinc/55/85/95/821558595.db2.gz QXPMREFUCKAGII-UNMCSNQZSA-N 1 0 399.556 4.261 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)Nc1ccc(OC2CCC2)c(F)c1 ZINC000180964002 821559295 /nfs/dbraw/zinc/55/92/95/821559295.db2.gz JNBLXRVDTLEBJU-UHFFFAOYSA-N 1 0 398.482 4.190 20 0 GIADRO C[C@@H](NC(=O)Nc1cccc(C[NH+](C)C)c1)c1ccc(Br)cc1 ZINC000044292153 821561149 /nfs/dbraw/zinc/56/11/49/821561149.db2.gz HLIDYFIBHKDHQX-CYBMUJFWSA-N 1 0 376.298 4.393 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H]1CCCOc2cc(F)ccc21 ZINC000180972065 821564912 /nfs/dbraw/zinc/56/49/12/821564912.db2.gz CXGHDZICXGHDDY-NRFANRHFSA-N 1 0 399.510 4.333 20 0 GIADRO COc1cc(Br)ccc1C[NH2+][C@H](C)c1ccc([S@](C)=O)cc1 ZINC000180973804 821565947 /nfs/dbraw/zinc/56/59/47/821565947.db2.gz MQVCPYCVRKYRHR-IPQOISQHSA-N 1 0 382.323 4.046 20 0 GIADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H](C)c2cc3cc(Cl)ccc3o2)c1 ZINC000180978718 821569550 /nfs/dbraw/zinc/56/95/50/821569550.db2.gz ACWTVEBWYJTFPI-STQMWFEESA-N 1 0 392.908 4.406 20 0 GIADRO COc1ccc([C@@H]([NH2+]CC2(OC)CCOCC2)c2ccccc2Cl)cc1 ZINC000180979507 821570055 /nfs/dbraw/zinc/57/00/55/821570055.db2.gz AJYATBTXNAAQDA-HXUWFJFHSA-N 1 0 375.896 4.223 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000044330684 821570723 /nfs/dbraw/zinc/57/07/23/821570723.db2.gz IVBTYDVZJSWMQK-HZPDHXFCSA-N 1 0 383.458 4.136 20 0 GIADRO C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000044331648 821571060 /nfs/dbraw/zinc/57/10/60/821571060.db2.gz WPWRGIXMOHJIAO-GOSISDBHSA-N 1 0 395.547 4.142 20 0 GIADRO Cn1cc([C@H]([NH2+]C[C@@H](c2ccccc2)C(C)(C)CO)c2cccc(F)c2)cn1 ZINC000180981097 821571788 /nfs/dbraw/zinc/57/17/88/821571788.db2.gz LUCLQRYMRCQZEF-FCHUYYIVSA-N 1 0 381.495 4.041 20 0 GIADRO Cn1cc([C@@H]([NH2+]C[C@H](c2ccccc2)C(C)(C)CO)c2cccc(F)c2)cn1 ZINC000180981072 821571823 /nfs/dbraw/zinc/57/18/23/821571823.db2.gz LUCLQRYMRCQZEF-YADHBBJMSA-N 1 0 381.495 4.041 20 0 GIADRO COc1ccc(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1OC1CCCC1 ZINC000044335662 821572683 /nfs/dbraw/zinc/57/26/83/821572683.db2.gz UFGWINUTVUFVJH-UHFFFAOYSA-N 1 0 389.540 4.447 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cc(F)c(N2CCCCC2)c(F)c1 ZINC000180990975 821579127 /nfs/dbraw/zinc/57/91/27/821579127.db2.gz BGZJMIYZMSWLJX-SJORKVTESA-N 1 0 392.494 4.046 20 0 GIADRO CCn1c2ccccc2nc1[C@@H](C)[NH2+][C@H](C)CC(=O)Nc1ccccc1OC ZINC000180993089 821580484 /nfs/dbraw/zinc/58/04/84/821580484.db2.gz XZEILJXYKVWDTD-HZPDHXFCSA-N 1 0 380.492 4.133 20 0 GIADRO CC(C)c1cc(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)nn1C(C)(C)C ZINC000044397679 821583791 /nfs/dbraw/zinc/58/37/91/821583791.db2.gz TUEDZOSVXMVWMO-UHFFFAOYSA-N 1 0 382.552 4.110 20 0 GIADRO O=C(Nc1cc(F)c(N2CCCCC2)c(F)c1)N1CCC(n2ccnc2)CC1 ZINC000180999908 821584956 /nfs/dbraw/zinc/58/49/56/821584956.db2.gz YSUIXRICRUWQKT-UHFFFAOYSA-N 1 0 389.450 4.021 20 0 GIADRO C[C@@H]([NH2+]CCc1nc2cc(F)ccc2n1C)c1ccc(F)cc1OC(F)F ZINC000181005774 821588531 /nfs/dbraw/zinc/58/85/31/821588531.db2.gz OGSPAAHSUBPULL-LLVKDONJSA-N 1 0 381.373 4.346 20 0 GIADRO COc1cc([C@@H](C)[NH2+]CCc2nc(-c3ccccn3)cs2)cc(OC)c1OC ZINC000181011633 821592290 /nfs/dbraw/zinc/59/22/90/821592290.db2.gz UMRLKNALUPDXNQ-CQSZACIVSA-N 1 0 399.516 4.124 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)C[NH2+][C@@H](c2cccc(F)c2)C2CCCC2)cc1 ZINC000181012874 821593408 /nfs/dbraw/zinc/59/34/08/821593408.db2.gz DRSPRRKZLLXWJF-JOCHJYFZSA-N 1 0 383.467 4.244 20 0 GIADRO Cc1cccn2cc(C[NH2+]C3CCN(Cc4c(F)cccc4Cl)CC3)nc12 ZINC000181013358 821593412 /nfs/dbraw/zinc/59/34/12/821593412.db2.gz CNWGFZHGKFUCMB-UHFFFAOYSA-N 1 0 386.902 4.189 20 0 GIADRO C[C@H](C[NH2+][C@H](c1cnn(C)c1)c1cccc(F)c1)c1nc(-c2ccccc2)no1 ZINC000181030635 821602627 /nfs/dbraw/zinc/60/26/27/821602627.db2.gz BXURIMYIXFYVEC-QRWLVFNGSA-N 1 0 391.450 4.092 20 0 GIADRO COc1ccc2ccccc2c1-c1cc(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)on1 ZINC000181073770 821619129 /nfs/dbraw/zinc/61/91/29/821619129.db2.gz KBDFEQKULGNGSR-QGZVFWFLSA-N 1 0 394.471 4.088 20 0 GIADRO Cc1ccoc1C(=O)NCCC[NH2+][C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000181076400 821620427 /nfs/dbraw/zinc/62/04/27/821620427.db2.gz LQQUQEBEURMNDP-QGZVFWFLSA-N 1 0 395.528 4.499 20 0 GIADRO CC[C@H]([NH2+]CCCNC(=O)c1occc1C)c1cccc(Br)c1 ZINC000181076036 821620607 /nfs/dbraw/zinc/62/06/07/821620607.db2.gz VTVLLQNUHPYXSX-INIZCTEOSA-N 1 0 379.298 4.211 20 0 GIADRO O=C(N[C@H]1CCCOc2c(Cl)cccc21)N1CCC(C[NH+]2CCCC2)CC1 ZINC000181077616 821621186 /nfs/dbraw/zinc/62/11/86/821621186.db2.gz LGOKAOALYOPYEP-IBGZPJMESA-N 1 0 391.943 4.071 20 0 GIADRO COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H](O)c2c(Cl)cccc2Cl)cc1 ZINC000181107690 821637258 /nfs/dbraw/zinc/63/72/58/821637258.db2.gz DKFBBPHJBFZPPT-PXAZEXFGSA-N 1 0 397.302 4.042 20 0 GIADRO C[C@H](c1nc2ccccc2o1)[N@H+](C)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000181114408 821641386 /nfs/dbraw/zinc/64/13/86/821641386.db2.gz QPSVBRXXUYGZSQ-KGLIPLIRSA-N 1 0 394.393 4.279 20 0 GIADRO Cc1ccc2[nH]c3c(c2c1)C[C@H](Nc1ccccc1C[NH+]1CCC(O)CC1)CC3 ZINC000181114754 821641479 /nfs/dbraw/zinc/64/14/79/821641479.db2.gz VFOOLDLRKVQPMK-LJQANCHMSA-N 1 0 389.543 4.402 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]C1CCC(S(C)(=O)=O)CC1 ZINC000181115620 821642107 /nfs/dbraw/zinc/64/21/07/821642107.db2.gz RTCHEOFRCDEZKY-CDEQTRAXSA-N 1 0 396.553 4.264 20 0 GIADRO CS(=O)(=O)C1CCC([NH2+][C@H]2CCCc3c(Cl)sc(Cl)c32)CC1 ZINC000181116343 821642130 /nfs/dbraw/zinc/64/21/30/821642130.db2.gz GWVQDNDEAOWBBM-CBINBANVSA-N 1 0 382.378 4.378 20 0 GIADRO C[C@H]([NH2+]C[C@H]1CN(c2ccccc2)C(=O)O1)c1ccc(Br)cc1 ZINC000181132090 821652834 /nfs/dbraw/zinc/65/28/34/821652834.db2.gz BVAVQFBYJKQWFW-GUYCJALGSA-N 1 0 375.266 4.125 20 0 GIADRO CSC1(C[NH2+][C@@H](C)c2ccc(OC[C@@H]3CCCCO3)c(F)c2)CCOCC1 ZINC000181158044 821670354 /nfs/dbraw/zinc/67/03/54/821670354.db2.gz ZGSXFCXCJGVCAR-WMZOPIPTSA-N 1 0 397.556 4.336 20 0 GIADRO Cc1ccc2[nH]c([C@H]3CCC[N@H+](C[C@@H]4CN(c5ccccc5)C(=O)O4)C3)nc2c1 ZINC000181162912 821673128 /nfs/dbraw/zinc/67/31/28/821673128.db2.gz WGMQPYNXTYYKOM-PKOBYXMFSA-N 1 0 390.487 4.076 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(NC(C)=O)c(SC)c1)c1ccccc1 ZINC000044874959 821674990 /nfs/dbraw/zinc/67/49/90/821674990.db2.gz OEBVSOZFNTYOIQ-HXUWFJFHSA-N 1 0 399.560 4.180 20 0 GIADRO O=C(NCCSCc1ccccc1F)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000044908999 821679597 /nfs/dbraw/zinc/67/95/97/821679597.db2.gz AIJOYVYSOGPHKO-LJQANCHMSA-N 1 0 386.536 4.087 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]C[C@H](C)Oc2ccccc2Cl)cc1NC(C)=O ZINC000181181832 821681569 /nfs/dbraw/zinc/68/15/69/821681569.db2.gz NPBDPHBNMJBPKI-UONOGXRCSA-N 1 0 376.884 4.425 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]C[C@@H](C)Oc2ccccc2Cl)cc1NC(C)=O ZINC000181181849 821681663 /nfs/dbraw/zinc/68/16/63/821681663.db2.gz NPBDPHBNMJBPKI-ZIAGYGMSSA-N 1 0 376.884 4.425 20 0 GIADRO CCOc1ccc(CC[NH2+][C@@H](C)c2cnc3cc(C)nn3c2C)cc1OCC ZINC000181187640 821684891 /nfs/dbraw/zinc/68/48/91/821684891.db2.gz XSNIQWLGSBFLFA-INIZCTEOSA-N 1 0 382.508 4.037 20 0 GIADRO COc1ccc([C@H](C)[NH2+]C[C@@H](OC)c2cccc(Cl)c2)cc1NC(C)=O ZINC000181196620 821690570 /nfs/dbraw/zinc/69/05/70/821690570.db2.gz PIGSQDRTNJBVGQ-RNODOKPDSA-N 1 0 376.884 4.345 20 0 GIADRO Cc1cc2ncc([C@H](C)[NH2+]Cc3ccc(COCC(F)(F)F)cc3)c(C)n2n1 ZINC000181196681 821691365 /nfs/dbraw/zinc/69/13/65/821691365.db2.gz SSGNXARHXBELAQ-AWEZNQCLSA-N 1 0 392.425 4.276 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]C[C@H](OC)c2ccc(F)cc2)cc1Cn1cccn1 ZINC000181201252 821693322 /nfs/dbraw/zinc/69/33/22/821693322.db2.gz DGARENBFYGAQGK-ZHRRBRCNSA-N 1 0 383.467 4.117 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]C[C@@H](OC)c2ccc(F)cc2)cc1Cn1cccn1 ZINC000181201285 821693467 /nfs/dbraw/zinc/69/34/67/821693467.db2.gz DGARENBFYGAQGK-OPAMFIHVSA-N 1 0 383.467 4.117 20 0 GIADRO Cc1cc2ncc([C@@H](C)[NH2+]Cc3cccc(OCC(F)(F)F)c3)c(C)n2n1 ZINC000181202922 821695000 /nfs/dbraw/zinc/69/50/00/821695000.db2.gz JBNOCWLGIMOHPC-CYBMUJFWSA-N 1 0 378.398 4.138 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000181205711 821696231 /nfs/dbraw/zinc/69/62/31/821696231.db2.gz LKZGAWCYWWIAOW-YJBOKZPZSA-N 1 0 388.895 4.045 20 0 GIADRO Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@@H](c1ccccc1)[C@@H]1CCCc2ccccc21 ZINC000181240018 821714377 /nfs/dbraw/zinc/71/43/77/821714377.db2.gz XEVCNRMZFHKWQO-QPPBQGQZSA-N 1 0 388.515 4.416 20 0 GIADRO C[S@@](=O)c1ccc(C[NH2+][C@H]2CCCOc3ccc(Br)cc32)cc1 ZINC000181245478 821716349 /nfs/dbraw/zinc/71/63/49/821716349.db2.gz PGELWOCWGPACNG-GAJHUEQPSA-N 1 0 394.334 4.190 20 0 GIADRO COc1cccc2[nH]cc(CC(=O)NC3CC[NH+]([C@H](C)c4ccccc4)CC3)c21 ZINC000181246217 821717088 /nfs/dbraw/zinc/71/70/88/821717088.db2.gz WETPVLWKAQCREC-QGZVFWFLSA-N 1 0 391.515 4.061 20 0 GIADRO CC(C)n1cc([C@H](C)[NH2+][C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cn1 ZINC000181252608 821719082 /nfs/dbraw/zinc/71/90/82/821719082.db2.gz AATZCVJRXNAHJV-YVEFUNNKSA-N 1 0 381.307 4.227 20 0 GIADRO COc1c(Br)cccc1C[NH2+][C@@H](C)c1cccc(NC(C)=O)c1 ZINC000181261668 821722782 /nfs/dbraw/zinc/72/27/82/821722782.db2.gz YPOMZCTVQRAPMO-LBPRGKRZSA-N 1 0 377.282 4.267 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1)C(=O)NCc1ccc(F)cc1 ZINC000181295331 821740511 /nfs/dbraw/zinc/74/05/11/821740511.db2.gz HTAKASDJCRISIM-IRXDYDNUSA-N 1 0 377.463 4.243 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccc(F)cc1)c1ccc(-c2cccnc2)cc1 ZINC000181295350 821740659 /nfs/dbraw/zinc/74/06/59/821740659.db2.gz HTAKASDJCRISIM-SJORKVTESA-N 1 0 377.463 4.243 20 0 GIADRO CC[NH+](CC)CCSc1nnc(-c2c[nH]c3ccccc32)n1C[C@@H]1CCCO1 ZINC000181304535 821745180 /nfs/dbraw/zinc/74/51/80/821745180.db2.gz UXXRZRVFBBHXQN-INIZCTEOSA-N 1 0 399.564 4.039 20 0 GIADRO C[C@H](Cc1ccccc1Br)[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000181309034 821747791 /nfs/dbraw/zinc/74/77/91/821747791.db2.gz OEAPQEYZTOQLOG-MRXNPFEDSA-N 1 0 388.353 4.029 20 0 GIADRO Cc1cc(C)n(-c2ccc(C[NH2+][C@@H](C)c3cccc(N4CCOC4=O)c3)cc2)n1 ZINC000181309781 821748297 /nfs/dbraw/zinc/74/82/97/821748297.db2.gz YPQMLXNKGWXUCX-SFHVURJKSA-N 1 0 390.487 4.297 20 0 GIADRO COc1ccccc1[C@H](C)NC(=O)C[NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000181312373 821750489 /nfs/dbraw/zinc/75/04/89/821750489.db2.gz VDJJGIKDLBCZKF-ROUUACIJSA-N 1 0 389.499 4.285 20 0 GIADRO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(-c3cccnc3)cc2)cc1OC ZINC000181317012 821754930 /nfs/dbraw/zinc/75/49/30/821754930.db2.gz JAROECIBMSYZIJ-INIZCTEOSA-N 1 0 391.471 4.055 20 0 GIADRO CCOc1cccc(CNC(=O)C[NH2+][C@@H](C)c2ccc(-c3cccnc3)cc2)c1 ZINC000181324091 821758898 /nfs/dbraw/zinc/75/88/98/821758898.db2.gz HLFTYHXZICDHEY-SFHVURJKSA-N 1 0 389.499 4.114 20 0 GIADRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)CCc1ccc2[nH]ccc2c1 ZINC000181325278 821760221 /nfs/dbraw/zinc/76/02/21/821760221.db2.gz MCZBYBKCDJDWTR-OALUTQOASA-N 1 0 389.543 4.373 20 0 GIADRO Cc1ccccc1NC(=O)C[C@H](C)[NH2+]CCOc1ncc(Cl)cc1Cl ZINC000181340756 821771580 /nfs/dbraw/zinc/77/15/80/821771580.db2.gz FRGUWUMPKCMNSO-ZDUSSCGKSA-N 1 0 382.291 4.083 20 0 GIADRO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000181340294 821771629 /nfs/dbraw/zinc/77/16/29/821771629.db2.gz SDERQMODCIBYFW-JKSUJKDBSA-N 1 0 399.922 4.453 20 0 GIADRO Cc1cccc(C)c1NC(=O)CCC[NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000181345743 821775754 /nfs/dbraw/zinc/77/57/54/821775754.db2.gz TWOVHDFDNMOYTF-LJQANCHMSA-N 1 0 393.531 4.500 20 0 GIADRO Cc1cccc(C)c1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000181354783 821782449 /nfs/dbraw/zinc/78/24/49/821782449.db2.gz KKVICLKJOQTDOT-QZTJIDSGSA-N 1 0 379.504 4.108 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+]CCNc2cccc(Br)c2)s1 ZINC000181359024 821785731 /nfs/dbraw/zinc/78/57/31/821785731.db2.gz XIGXCCYSMGQAEA-LBPRGKRZSA-N 1 0 398.370 4.166 20 0 GIADRO CCOc1ccc(C(C)=O)cc1C[NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000181359943 821786487 /nfs/dbraw/zinc/78/64/87/821786487.db2.gz YVIPSONHCACHNP-MRXNPFEDSA-N 1 0 380.488 4.266 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+]C[C@@H](c2cccs2)N2CCCC2)s1 ZINC000181366731 821791091 /nfs/dbraw/zinc/79/10/91/821791091.db2.gz RHZYTFJDAZGTMZ-HOCLYGCPSA-N 1 0 379.595 4.190 20 0 GIADRO CSc1cccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)c1 ZINC000181367620 821791098 /nfs/dbraw/zinc/79/10/98/821791098.db2.gz IMWGXELVSKXOSL-HZPDHXFCSA-N 1 0 397.544 4.213 20 0 GIADRO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)c(Cl)c1 ZINC000181371153 821792509 /nfs/dbraw/zinc/79/25/09/821792509.db2.gz RNNKQDWERHOIDH-HOTGVXAUSA-N 1 0 399.922 4.453 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(Br)c3ccccc23)C1 ZINC000181373099 821793554 /nfs/dbraw/zinc/79/35/54/821793554.db2.gz HQQSLADFHXHKGD-CQSZACIVSA-N 1 0 390.325 4.408 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+]Cc2cccc(NC(=O)C3CCC3)c2)s1 ZINC000181375703 821794346 /nfs/dbraw/zinc/79/43/46/821794346.db2.gz DEQIWYOFOBVZMV-AWEZNQCLSA-N 1 0 387.549 4.230 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+]Cc2ccc(OC)c(OC(F)F)c2)s1 ZINC000181376702 821794439 /nfs/dbraw/zinc/79/44/39/821794439.db2.gz ABRLBKNGIHXMFP-NSHDSACASA-N 1 0 386.464 4.101 20 0 GIADRO Cc1cccc(C)c1OC[C@H]([NH2+]CC(=O)N(C)c1nccs1)c1ccccc1 ZINC000181382813 821797590 /nfs/dbraw/zinc/79/75/90/821797590.db2.gz WPSCNXCTXIMWBY-IBGZPJMESA-N 1 0 395.528 4.133 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)c1cccc(Br)c1)c1ccccc1-n1cccn1 ZINC000181388866 821800461 /nfs/dbraw/zinc/80/04/61/821800461.db2.gz XVFTXGJOKLTOCX-LIRRHRJNSA-N 1 0 386.293 4.019 20 0 GIADRO CC[C@@H]([NH2+][C@H](CO)c1cccc(Br)c1)c1ccc2c(c1)CCO2 ZINC000181392142 821802365 /nfs/dbraw/zinc/80/23/65/821802365.db2.gz CMRCATIAEVOBLB-QZTJIDSGSA-N 1 0 376.294 4.158 20 0 GIADRO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)cc1C ZINC000181392944 821803080 /nfs/dbraw/zinc/80/30/80/821803080.db2.gz HYRCILLSFNIUFZ-MSOLQXFVSA-N 1 0 379.504 4.108 20 0 GIADRO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181394554 821804283 /nfs/dbraw/zinc/80/42/83/821804283.db2.gz YOOJGIGLFKMPRM-CVEARBPZSA-N 1 0 399.922 4.453 20 0 GIADRO COc1cc([C@H](C)[NH2+]CC(=O)NCCc2ccccc2)ccc1SC(F)F ZINC000181395751 821805287 /nfs/dbraw/zinc/80/52/87/821805287.db2.gz SFKDHPKWDCKFAB-AWEZNQCLSA-N 1 0 394.487 4.019 20 0 GIADRO Cc1cccc([C@H](O)C[NH2+][C@@H](C)CC(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000181404712 821808697 /nfs/dbraw/zinc/80/86/97/821808697.db2.gz MBJRAJPPKWYSLF-KBXCAEBGSA-N 1 0 380.410 4.054 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+]C[C@H]2CCCN(Cc3cccs3)C2)s1 ZINC000181405374 821808894 /nfs/dbraw/zinc/80/88/94/821808894.db2.gz WZHAQZKWQXTDBU-DOTOQJQBSA-N 1 0 393.622 4.265 20 0 GIADRO COC[C@H]([NH2+]CCCC(=O)Nc1c(C)cccc1C)c1ccc(F)c(F)c1 ZINC000181415032 821813558 /nfs/dbraw/zinc/81/35/58/821813558.db2.gz GXTVBUMGFPYAPL-IBGZPJMESA-N 1 0 376.447 4.278 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1cccc(N2CCCC2=O)c1)C(=O)Nc1ccccc1Cl ZINC000181417770 821815846 /nfs/dbraw/zinc/81/58/46/821815846.db2.gz OWYLBNCSLZFWJB-HUUCEWRRSA-N 1 0 385.895 4.145 20 0 GIADRO CCC[C@@H]([NH2+]C1CCN(C(=O)CCOC)CC1)c1ccc(Cl)cc1Cl ZINC000181419062 821816361 /nfs/dbraw/zinc/81/63/61/821816361.db2.gz HWLVJHRNHYODEJ-GOSISDBHSA-N 1 0 387.351 4.452 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+][C@H]2CCCN(c3ccc(F)cc3C)C2)s1 ZINC000181421682 821817995 /nfs/dbraw/zinc/81/79/95/821817995.db2.gz SPSQWSBZUMDJTE-YJBOKZPZSA-N 1 0 391.556 4.408 20 0 GIADRO COc1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@@H](C)Cc2cc(C)n[nH]2)CCC3)cc1 ZINC000181424078 821819574 /nfs/dbraw/zinc/81/95/74/821819574.db2.gz MVZOILDHWPCKHF-UGSOOPFHSA-N 1 0 382.533 4.448 20 0 GIADRO COc1cccc2cc([C@H](C)[NH2+]C[C@@H](c3ccc(C)o3)N3CCOCC3)oc21 ZINC000181424227 821819654 /nfs/dbraw/zinc/81/96/54/821819654.db2.gz NPIOWRXIMOQOBA-WMZOPIPTSA-N 1 0 384.476 4.067 20 0 GIADRO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)c(Cl)c1 ZINC000181426963 821821340 /nfs/dbraw/zinc/82/13/40/821821340.db2.gz ZCFAGMHRSKGXHB-HZPDHXFCSA-N 1 0 399.922 4.453 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+]C[C@@H](O)c2cc3ccccc3s2)s1 ZINC000181434062 821825119 /nfs/dbraw/zinc/82/51/19/821825119.db2.gz PMCLLVOUYCBUIS-IUODEOHRSA-N 1 0 376.547 4.239 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+]C[C@@H](O)c2cc3ccccc3s2)s1 ZINC000181434082 821825475 /nfs/dbraw/zinc/82/54/75/821825475.db2.gz PMCLLVOUYCBUIS-SWLSCSKDSA-N 1 0 376.547 4.239 20 0 GIADRO Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181438465 821827547 /nfs/dbraw/zinc/82/75/47/821827547.db2.gz WKJMVYWPHGGLSL-CVEARBPZSA-N 1 0 399.922 4.453 20 0 GIADRO Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000181438841 821827585 /nfs/dbraw/zinc/82/75/85/821827585.db2.gz NOVDXOSPOWOFPI-NRFANRHFSA-N 1 0 394.519 4.051 20 0 GIADRO Cc1oc(-c2ccsc2)nc1CC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181446684 821830011 /nfs/dbraw/zinc/83/00/11/821830011.db2.gz PGQQICNBEAOSRW-GDBMZVCRSA-N 1 0 387.549 4.023 20 0 GIADRO Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCO[C@]3(CCSC3)C2)cc1Cl ZINC000181447550 821830292 /nfs/dbraw/zinc/83/02/92/821830292.db2.gz NMYHIMXNXPFLCI-URLQWDBASA-N 1 0 382.957 4.010 20 0 GIADRO Cc1ccc([C@@H](OC[C@@H](O)C[N@H+](C)CCc2ccncc2)c2ccccc2)cc1 ZINC000181459977 821836448 /nfs/dbraw/zinc/83/64/48/821836448.db2.gz VMJAAIZYZPROKO-DQEYMECFSA-N 1 0 390.527 4.031 20 0 GIADRO C[C@H](NC(=O)CCc1ccc(OC(F)(F)F)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181461235 821837083 /nfs/dbraw/zinc/83/70/83/821837083.db2.gz WWSJKFIMKKBHFA-DOTOQJQBSA-N 1 0 398.469 4.287 20 0 GIADRO C[N@@H+](Cc1ncc(-c2ccc(Br)cc2)o1)C[C@H]1CCCC[C@@H]1O ZINC000181461859 821837281 /nfs/dbraw/zinc/83/72/81/821837281.db2.gz CISSHSUHCURCQT-ZBFHGGJFSA-N 1 0 379.298 4.087 20 0 GIADRO CC[C@H]([NH2+]Cc1cccnc1-n1cccn1)c1cc(F)cc(Br)c1 ZINC000181473755 821842213 /nfs/dbraw/zinc/84/22/13/821842213.db2.gz RTYPOFMYGWEURZ-KRWDZBQOSA-N 1 0 389.272 4.410 20 0 GIADRO O=C(c1ccccc1Cl)N1CCC([NH2+]CCc2cc3ccccc3[nH]2)CC1 ZINC000181481198 821845707 /nfs/dbraw/zinc/84/57/07/821845707.db2.gz PIEHYKCCIAVQDC-UHFFFAOYSA-N 1 0 381.907 4.258 20 0 GIADRO CCCN1c2ccc(NC(=O)NCCC[NH+](C(C)C)C(C)C)cc2CCC1=O ZINC000181487259 821848442 /nfs/dbraw/zinc/84/84/42/821848442.db2.gz NJZQIJNKJUCHLA-UHFFFAOYSA-N 1 0 388.556 4.006 20 0 GIADRO Cc1ccccc1[C@H](OC[C@H](O)C[N@H+](C)CCc1ccncc1)c1ccccc1 ZINC000181494019 821852343 /nfs/dbraw/zinc/85/23/43/821852343.db2.gz MHIKOUMDCTXZRH-ILBGXUMGSA-N 1 0 390.527 4.031 20 0 GIADRO CCO[C@H]1C[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3F)CC2)C12CCCCC2 ZINC000181497036 821853558 /nfs/dbraw/zinc/85/35/58/821853558.db2.gz JVMKQBBZRLFCAV-RTWAWAEBSA-N 1 0 388.527 4.148 20 0 GIADRO C[C@@H](NC(=O)CCCc1nc2ccccc2s1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181498666 821854980 /nfs/dbraw/zinc/85/49/80/821854980.db2.gz IFFCIOJIHKRBMH-IAGOWNOFSA-N 1 0 385.577 4.388 20 0 GIADRO CCCc1ccc(C(=O)CCC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000181518428 821864441 /nfs/dbraw/zinc/86/44/41/821864441.db2.gz BJRLUBXNTAGHHJ-NQIIRXRSSA-N 1 0 384.564 4.371 20 0 GIADRO COc1ccc(-c2csc(NC(=O)[C@H](C)[NH2+][C@@H](C)c3cccc(O)c3)n2)cc1 ZINC000181522246 821865117 /nfs/dbraw/zinc/86/51/17/821865117.db2.gz KUJJWOFVQGRKNO-KBPBESRZSA-N 1 0 397.500 4.202 20 0 GIADRO O=C(C1CC[NH+](CCCc2ccccc2Br)CC1)N1CCCCC1 ZINC000181529973 821867978 /nfs/dbraw/zinc/86/79/78/821867978.db2.gz GLQHDLSZGNUPCH-UHFFFAOYSA-N 1 0 393.369 4.106 20 0 GIADRO Cc1c(Br)cccc1C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181530950 821869123 /nfs/dbraw/zinc/86/91/23/821869123.db2.gz MJHZVKVBAUVFTJ-CABCVRRESA-N 1 0 379.342 4.140 20 0 GIADRO Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2cnc3cc(C)nn3c2C)n(-c2ccccc2)n1 ZINC000181531553 821869807 /nfs/dbraw/zinc/86/98/07/821869807.db2.gz YMAGEUOMCPLKGF-CRAIPNDOSA-N 1 0 388.519 4.122 20 0 GIADRO CCCCOc1ccc(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1OC ZINC000181533459 821870657 /nfs/dbraw/zinc/87/06/57/821870657.db2.gz HASVANKQLLYCNR-HKUYNNGSSA-N 1 0 388.552 4.257 20 0 GIADRO Cc1cc(Br)ccc1CC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181540111 821873413 /nfs/dbraw/zinc/87/34/13/821873413.db2.gz PSGDHNQRXMDFHU-WBVHZDCISA-N 1 0 393.369 4.069 20 0 GIADRO COc1cccc2cc([C@H](C)[NH2+]Cc3ccc(CN4CCCC4=O)cc3)oc21 ZINC000181546272 821875161 /nfs/dbraw/zinc/87/51/61/821875161.db2.gz DPNVCAVFGFMPON-INIZCTEOSA-N 1 0 378.472 4.415 20 0 GIADRO Cc1c(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cnn1-c1cc(C)ccc1C ZINC000181549058 821877082 /nfs/dbraw/zinc/87/70/82/821877082.db2.gz POAICJKSLKQRQO-AZUAARDMSA-N 1 0 394.563 4.180 20 0 GIADRO COc1ccccc1COC1CC[NH+](Cc2cnc(C)n2-c2ccccc2)CC1 ZINC000181549646 821877485 /nfs/dbraw/zinc/87/74/85/821877485.db2.gz JCZGWICTMRZCCO-UHFFFAOYSA-N 1 0 391.515 4.371 20 0 GIADRO C[C@H]([NH2+]C[C@H](c1ccccc1)C(C)(C)CO)c1cccc(N2CCOC2=O)c1 ZINC000181556949 821880110 /nfs/dbraw/zinc/88/01/10/821880110.db2.gz AJQHKNXSEHAHPN-LAUBAEHRSA-N 1 0 382.504 4.096 20 0 GIADRO C[C@H]([NH2+]CCc1nnc(-c2ccccc2)o1)c1ccc(Br)s1 ZINC000181557426 821880150 /nfs/dbraw/zinc/88/01/50/821880150.db2.gz CZYHMOQYKGOPMJ-NSHDSACASA-N 1 0 378.295 4.454 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)Nc1ccc2ncsc2c1 ZINC000181564839 821882805 /nfs/dbraw/zinc/88/28/05/821882805.db2.gz CTSQBWRUGGIISF-UHFFFAOYSA-N 1 0 395.532 4.462 20 0 GIADRO C[C@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1ccc(F)c(Br)c1 ZINC000181583439 821889847 /nfs/dbraw/zinc/88/98/47/821889847.db2.gz VDHXLWHHSFUJBC-QMMMGPOBSA-N 1 0 380.183 4.191 20 0 GIADRO Cc1cc(OCc2cccc(Cl)c2)ccc1NC(=O)N1CCC[N@@H+](C)CC1 ZINC000181585860 821890645 /nfs/dbraw/zinc/89/06/45/821890645.db2.gz BGVKYLLCZDRMCY-UHFFFAOYSA-N 1 0 387.911 4.397 20 0 GIADRO C[C@@H]([NH2+]C1CCN([C@@H](C)c2ccncc2)CC1)c1ccc2c(c1)OCCCO2 ZINC000181586904 821891366 /nfs/dbraw/zinc/89/13/66/821891366.db2.gz IPKPWQWHCKDMHP-MSOLQXFVSA-N 1 0 381.520 4.119 20 0 GIADRO COCc1cc([C@@H](C)[NH2+]C2CCN([C@H](C)c3ccncc3)CC2)ccc1OC ZINC000181592029 821893805 /nfs/dbraw/zinc/89/38/05/821893805.db2.gz RBRPWFMCMYLEBH-QZTJIDSGSA-N 1 0 383.536 4.113 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+]C1CCN([C@H](C)c3ccncc3)CC1)CCCO2 ZINC000181593113 821894469 /nfs/dbraw/zinc/89/44/69/821894469.db2.gz ZNFQNWGTTTYQGT-VGOFRKELSA-N 1 0 381.520 4.119 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CC(C)(C)c2cccc(OC)c2)cc1 ZINC000181599946 821896815 /nfs/dbraw/zinc/89/68/15/821896815.db2.gz GCQYGAFSSATUPS-INIZCTEOSA-N 1 0 390.549 4.085 20 0 GIADRO CN(C(=O)C[NH2+][C@@H](Cc1ccccc1Cl)c1ccccc1)c1nccs1 ZINC000181601946 821898658 /nfs/dbraw/zinc/89/86/58/821898658.db2.gz LJVRQQYAWMTNRP-SFHVURJKSA-N 1 0 385.920 4.333 20 0 GIADRO COc1cc(NCC[NH2+][C@@H](C)c2sc(-c3cccnc3)nc2C)cc(OC)c1 ZINC000181604658 821899372 /nfs/dbraw/zinc/89/93/72/821899372.db2.gz MXYDCAJSRZFYIL-AWEZNQCLSA-N 1 0 398.532 4.293 20 0 GIADRO C[C@H]([NH2+]CC(=O)N1CCC[C@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1 ZINC000181608544 821900941 /nfs/dbraw/zinc/90/09/41/821900941.db2.gz JVROPYMNUQSMGY-FZMZJTMJSA-N 1 0 382.348 4.157 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(COC3CCOCC3)cc2)cc1OC ZINC000181608312 821901204 /nfs/dbraw/zinc/90/12/04/821901204.db2.gz LMEZQFCNUIHTDK-QGZVFWFLSA-N 1 0 385.504 4.250 20 0 GIADRO Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000181611675 821903206 /nfs/dbraw/zinc/90/32/06/821903206.db2.gz FGCYMRIPARAFCT-UHFFFAOYSA-N 1 0 391.487 4.097 20 0 GIADRO C[C@@H]([NH2+]CCc1ccc(F)c(Br)c1)c1ccc(OCC#N)cc1 ZINC000181613655 821904628 /nfs/dbraw/zinc/90/46/28/821904628.db2.gz QBKBWXSEBDWGLF-CYBMUJFWSA-N 1 0 377.257 4.384 20 0 GIADRO CCc1c2cc(C)ccc2oc1[C@@H](C)[NH2+]Cc1ccc(OCC(N)=O)c(OC)c1 ZINC000181615941 821905218 /nfs/dbraw/zinc/90/52/18/821905218.db2.gz GMZGAVATSMYSHG-OAHLLOKOSA-N 1 0 396.487 4.027 20 0 GIADRO COc1ccc([C@H](C)[NH2+]Cc2ccccc2-n2cccn2)c(Br)c1 ZINC000181625283 821909553 /nfs/dbraw/zinc/90/95/53/821909553.db2.gz RXNZBMFGOONGFA-AWEZNQCLSA-N 1 0 386.293 4.494 20 0 GIADRO Cc1noc(C)c1[C@H](C)C[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000181627190 821911354 /nfs/dbraw/zinc/91/13/54/821911354.db2.gz JPIAEIYKSBWYPC-NEPJUHHUSA-N 1 0 394.313 4.164 20 0 GIADRO Cc1cc2cc(C(=O)Nc3cc(C[NH+](C)C)ccn3)oc2c(Br)c1 ZINC000181627941 821911375 /nfs/dbraw/zinc/91/13/75/821911375.db2.gz KTHXPZFKDASEDP-UHFFFAOYSA-N 1 0 388.265 4.213 20 0 GIADRO COc1cccc2cc([C@@H](C)[NH2+][C@H](Cc3ccccc3)C(=O)N3CCCC3)oc21 ZINC000181638773 821917843 /nfs/dbraw/zinc/91/78/43/821917843.db2.gz HBPDVXLYPKGDKV-YLJYHZDGSA-N 1 0 392.499 4.326 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CC2([C@@H](O)c3ccccc3)CC2)cc1Cn1cccn1 ZINC000181644896 821920391 /nfs/dbraw/zinc/92/03/91/821920391.db2.gz SPWFTSZOVMQLQO-MBSDFSHPSA-N 1 0 391.515 4.104 20 0 GIADRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]C2CCC(OC(C)C)CC2)cc1 ZINC000181648419 821921721 /nfs/dbraw/zinc/92/17/21/821921721.db2.gz BJHXURYUKFBQMM-QHGAOEGBSA-N 1 0 396.597 4.104 20 0 GIADRO CC(C)OC1CCC([NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000181649370 821922128 /nfs/dbraw/zinc/92/21/28/821922128.db2.gz RITIMPDLACQWOD-NXVRBGIVSA-N 1 0 397.357 4.492 20 0 GIADRO CC(C)[C@@H]([NH2+]CC(=O)Nc1ccnn1C1CCCC1)c1ccc(F)cc1F ZINC000181653931 821925071 /nfs/dbraw/zinc/92/50/71/821925071.db2.gz JMECIYTUSKISFH-HXUWFJFHSA-N 1 0 376.451 4.202 20 0 GIADRO COCCC[NH+]1CCC(N[C@H](C)c2cc3cc(Br)ccc3o2)CC1 ZINC000181660362 821928445 /nfs/dbraw/zinc/92/84/45/821928445.db2.gz BBUMKYGTOMAHRV-CQSZACIVSA-N 1 0 395.341 4.347 20 0 GIADRO Cc1ccccc1NC(=O)CC[NH2+]C(C)(C)COc1ncccc1C(F)(F)F ZINC000181660261 821928466 /nfs/dbraw/zinc/92/84/66/821928466.db2.gz MZSJIZCEVWLZIW-UHFFFAOYSA-N 1 0 395.425 4.185 20 0 GIADRO CCc1ccccc1NC(=O)C[NH2+]C(C)(C)COc1ccc(C(F)(F)F)cn1 ZINC000181660800 821928976 /nfs/dbraw/zinc/92/89/76/821928976.db2.gz GIDZIBOHUHDNOQ-UHFFFAOYSA-N 1 0 395.425 4.049 20 0 GIADRO CC[C@@H](CSc1ccccc1)[NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(OC)c1 ZINC000181667467 821934160 /nfs/dbraw/zinc/93/41/60/821934160.db2.gz PMWVHAIKAFAUCV-WBVHZDCISA-N 1 0 393.574 4.320 20 0 GIADRO CCC[C@@H]([NH2+]CC(=O)N1CCC[C@H](C(F)(F)F)C1)c1ccc(F)cc1F ZINC000181675537 821938508 /nfs/dbraw/zinc/93/85/08/821938508.db2.gz OYDLCEUBMSTGDI-BLLLJJGKSA-N 1 0 378.385 4.197 20 0 GIADRO C[C@H](NC(=O)C(C)(C)Oc1cccc(Cl)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181682315 821941873 /nfs/dbraw/zinc/94/18/73/821941873.db2.gz RZUKSVXFZNGAJX-JKSUJKDBSA-N 1 0 378.944 4.267 20 0 GIADRO COC[C@H]([NH2+]CC(=O)N[C@@H](c1cccs1)c1ccc(C)cc1)c1ccccc1 ZINC000181691915 821945958 /nfs/dbraw/zinc/94/59/58/821945958.db2.gz XXDPLGMNTJBKDU-NZQKXSOJSA-N 1 0 394.540 4.239 20 0 GIADRO C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000181698507 821948381 /nfs/dbraw/zinc/94/83/81/821948381.db2.gz DMHFFMGAJONNGC-OXQOHEQNSA-N 1 0 392.971 4.387 20 0 GIADRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+][C@@H]3CCN(c4ccccn4)C3)s2)cc1 ZINC000181703388 821951332 /nfs/dbraw/zinc/95/13/32/821951332.db2.gz ASCXXOMUDYLYMW-MAUKXSAKSA-N 1 0 394.544 4.452 20 0 GIADRO COc1cc([C@H](C)[NH2+]CCOCc2ccc(Cl)cc2)cc(OC)c1OC ZINC000181712209 821955629 /nfs/dbraw/zinc/95/56/29/821955629.db2.gz URZACIANNRWATN-AWEZNQCLSA-N 1 0 379.884 4.233 20 0 GIADRO CC(C)(C)C(=O)N1CCC(C[N@@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)CC1 ZINC000181713142 821956380 /nfs/dbraw/zinc/95/63/80/821956380.db2.gz CBKDORVCBTWWPU-IBGZPJMESA-N 1 0 388.527 4.005 20 0 GIADRO Cc1ccc(C)c([C@H]2C[N@H+](CC3CCN(C(=O)C(C)(C)C)CC3)[C@H](C)CO2)c1 ZINC000181719683 821960130 /nfs/dbraw/zinc/96/01/30/821960130.db2.gz GIUZCCWGJBGGAE-DENIHFKCSA-N 1 0 386.580 4.350 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H](C)Cc2ccccc2C(F)(F)F)C1 ZINC000181722256 821961480 /nfs/dbraw/zinc/96/14/80/821961480.db2.gz CFYWQAFLURLHLH-JKSUJKDBSA-N 1 0 385.474 4.010 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(-n3ccnn3)cc2)cc1OCC ZINC000181747882 821974483 /nfs/dbraw/zinc/97/44/83/821974483.db2.gz OAMRVYFCHWNEAA-IRXDYDNUSA-N 1 0 380.492 4.477 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@H](C)c2ccc(-n3ccnn3)cc2)ccc1OC(F)F ZINC000181748182 821975222 /nfs/dbraw/zinc/97/52/22/821975222.db2.gz PDZOZHIUIOTYFX-ZIAGYGMSSA-N 1 0 388.418 4.289 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1)c1ccc(F)cc1OC(F)F ZINC000181751696 821976496 /nfs/dbraw/zinc/97/64/96/821976496.db2.gz MCQQPVVIZSNTFW-QWHCGFSZSA-N 1 0 376.382 4.420 20 0 GIADRO CCOc1ccc(Cl)cc1CC[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000181755951 821978369 /nfs/dbraw/zinc/97/83/69/821978369.db2.gz QWMOIAGAALYZBG-AWEZNQCLSA-N 1 0 381.925 4.036 20 0 GIADRO Cc1ccccc1COc1ccc([C@H](C)[NH2+]CC2CCS(=O)(=O)CC2)cc1 ZINC000181763832 821982261 /nfs/dbraw/zinc/98/22/61/821982261.db2.gz WKCDZXKFHGCHRU-SFHVURJKSA-N 1 0 387.545 4.049 20 0 GIADRO CC(C)Cn1cc(C[NH2+]Cc2cccc(NC(=O)c3ccc(F)cc3)c2)cn1 ZINC000181769047 821985186 /nfs/dbraw/zinc/98/51/86/821985186.db2.gz SAVQNCPIVWQVPE-UHFFFAOYSA-N 1 0 380.467 4.220 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]C[C@H](CCO)c2ccccc2)c(Br)c1 ZINC000181794995 821995805 /nfs/dbraw/zinc/99/58/05/821995805.db2.gz DEGSACITUHYBAQ-ZBFHGGJFSA-N 1 0 378.310 4.275 20 0 GIADRO COc1ccc([C@H](C)[NH2+]C[C@H](CCO)c2ccccc2)c(Br)c1 ZINC000181794978 821995977 /nfs/dbraw/zinc/99/59/77/821995977.db2.gz DEGSACITUHYBAQ-HOCLYGCPSA-N 1 0 378.310 4.275 20 0 GIADRO C[C@H]([NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(Br)s1 ZINC000181800187 821997521 /nfs/dbraw/zinc/99/75/21/821997521.db2.gz DSXGERWVIDRTQS-DZGCQCFKSA-N 1 0 393.350 4.210 20 0 GIADRO CC[C@@H]([NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1OC(F)F ZINC000181800854 821998166 /nfs/dbraw/zinc/99/81/66/821998166.db2.gz WOZOZCKIFKBGAG-PKOBYXMFSA-N 1 0 388.458 4.377 20 0 GIADRO C[C@H]([NH2+]Cc1csc(-c2ccc(C(N)=O)cc2)n1)C(C)(C)c1ccccc1 ZINC000181802615 821998676 /nfs/dbraw/zinc/99/86/76/821998676.db2.gz ZCLPLGHRLUKHHC-HNNXBMFYSA-N 1 0 379.529 4.365 20 0 GIADRO C[C@H]([NH2+]CC(=O)N[C@@H](c1nccs1)c1ccccc1)C(C)(C)c1ccccc1 ZINC000181802699 821998725 /nfs/dbraw/zinc/99/87/25/821998725.db2.gz NRWFMJXPXPWZHT-LAUBAEHRSA-N 1 0 393.556 4.305 20 0 GIADRO C[C@H]([NH2+]CC(=O)N[C@H](c1nccs1)c1ccccc1)C(C)(C)c1ccccc1 ZINC000181802664 821998732 /nfs/dbraw/zinc/99/87/32/821998732.db2.gz NRWFMJXPXPWZHT-UWJYYQICSA-N 1 0 393.556 4.305 20 0 GIADRO Cc1cc2c(cc1C)[C@H]([NH2+]C[C@H]1CC(=O)N(Cc3ccccc3)C1)CCCO2 ZINC000181808559 822001353 /nfs/dbraw/zinc/00/13/53/822001353.db2.gz LQJKNZKLYCTDGU-IFMALSPDSA-N 1 0 378.516 4.155 20 0 GIADRO O=C1C[C@@H](C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)CN1Cc1ccccc1 ZINC000181812563 822003166 /nfs/dbraw/zinc/00/31/66/822003166.db2.gz TYYMMSRUNQOZTM-FXAWDEMLSA-N 1 0 384.907 4.192 20 0 GIADRO CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000181816711 822004491 /nfs/dbraw/zinc/00/44/91/822004491.db2.gz KMVWKJYISRKTJW-AEFFLSMTSA-N 1 0 386.923 4.438 20 0 GIADRO Cc1ccc2c(C[NH2+][C@@H](CC(=O)OC(C)C)c3ccccc3)cc(=O)oc2c1 ZINC000181819228 822005136 /nfs/dbraw/zinc/00/51/36/822005136.db2.gz TZDOIRBGAMZSDR-FQEVSTJZSA-N 1 0 379.456 4.274 20 0 GIADRO O=C1C[C@@H](C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)CN1Cc1ccccc1 ZINC000181826686 822008832 /nfs/dbraw/zinc/00/88/32/822008832.db2.gz UCBONXVEXBWJRS-WMZHIEFXSA-N 1 0 390.527 4.027 20 0 GIADRO C[C@H](C[NH2+][C@H](C)c1ccc2c(c1)OCCCO2)c1nc(-c2ccccc2)no1 ZINC000181846907 822015729 /nfs/dbraw/zinc/01/57/29/822015729.db2.gz DWZCZWWYYTVIKZ-HZPDHXFCSA-N 1 0 379.460 4.352 20 0 GIADRO O=C(Nc1ccnc(Cl)c1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000181858931 822018396 /nfs/dbraw/zinc/01/83/96/822018396.db2.gz SIJXQJHYYLNHCD-UHFFFAOYSA-N 1 0 379.291 4.175 20 0 GIADRO O=C(Nc1cccc(C(F)(F)F)n1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000181868038 822021053 /nfs/dbraw/zinc/02/10/53/822021053.db2.gz BCUDUKPXJWIBKV-UHFFFAOYSA-N 1 0 396.388 4.026 20 0 GIADRO C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000181886170 822026493 /nfs/dbraw/zinc/02/64/93/822026493.db2.gz OXSDZYSIAMOKGA-INIZCTEOSA-N 1 0 397.485 4.154 20 0 GIADRO Cc1sc2[nH]c(C[NH2+][C@H](C)c3cccc(N4CCCC4)c3)nc(=O)c2c1C ZINC000181887824 822027056 /nfs/dbraw/zinc/02/70/56/822027056.db2.gz XLTGXWLLQLFGKG-CQSZACIVSA-N 1 0 382.533 4.052 20 0 GIADRO C[C@@H](C[NH2+][C@H](c1ccccc1)c1cc(Cl)ccc1Cl)CS(C)(=O)=O ZINC000181888272 822027418 /nfs/dbraw/zinc/02/74/18/822027418.db2.gz GGBXEGWDGYEQLZ-SCLBCKFNSA-N 1 0 386.344 4.353 20 0 GIADRO C[C@H]([NH2+]CC(=O)N1CCC[C@H](C(F)(F)F)C1)c1cccc(OC(F)(F)F)c1 ZINC000181906330 822033334 /nfs/dbraw/zinc/03/33/34/822033334.db2.gz MCRXZWWQAAQNKE-AAEUAGOBSA-N 1 0 398.347 4.037 20 0 GIADRO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc(OC(F)(F)F)c2)c(C#N)c1C ZINC000181908685 822034307 /nfs/dbraw/zinc/03/43/07/822034307.db2.gz QGFIKHIWCHUTJL-NWDGAFQWSA-N 1 0 395.381 4.345 20 0 GIADRO C[C@H]([NH2+]Cc1cn2cc(Cl)cc(Cl)c2n1)c1ccc(-n2cncn2)cc1 ZINC000181909566 822034589 /nfs/dbraw/zinc/03/45/89/822034589.db2.gz YFUCYNPWNBVNLX-LBPRGKRZSA-N 1 0 387.274 4.073 20 0 GIADRO Cc1nc([C@H](NC2CC[NH+](Cc3ccccc3)CC2)c2ccc(Cl)cc2)no1 ZINC000181920314 822037072 /nfs/dbraw/zinc/03/70/72/822037072.db2.gz AINUUNCRGIBVSY-OAQYLSRUSA-N 1 0 396.922 4.375 20 0 GIADRO CS(=O)(=O)c1ccc([C@@H](O)C[NH2+][C@H](CC2CCCC2)c2ccccc2)cc1 ZINC000181941923 822041579 /nfs/dbraw/zinc/04/15/79/822041579.db2.gz GPFQMHLTRHVQGF-YADHBBJMSA-N 1 0 387.545 4.035 20 0 GIADRO C[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1cc2c(ccc3ccccc23)o1 ZINC000181950850 822043425 /nfs/dbraw/zinc/04/34/25/822043425.db2.gz SLZNPOZZWPCWFZ-LRDDRELGSA-N 1 0 376.378 4.400 20 0 GIADRO CCc1cc(NC(=O)N(C)C2CC[NH+](CCc3ccccn3)CC2)ccc1C ZINC000181970653 822048889 /nfs/dbraw/zinc/04/88/89/822048889.db2.gz MTIYCJOQUULZOB-UHFFFAOYSA-N 1 0 380.536 4.123 20 0 GIADRO CC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2cccc(NC(=O)c3ccncc3)c2)cc1 ZINC000181976880 822051060 /nfs/dbraw/zinc/05/10/60/822051060.db2.gz QYKBAFJRLCCBGU-MRXNPFEDSA-N 1 0 388.471 4.143 20 0 GIADRO CC(C)c1ccc(C2(O)CCC([NH2+]CCNC(=O)c3ccccc3F)CC2)cc1 ZINC000181979787 822051645 /nfs/dbraw/zinc/05/16/45/822051645.db2.gz LZSUJBCOIPXATM-UHFFFAOYSA-N 1 0 398.522 4.099 20 0 GIADRO Cc1ccc(-c2cnc(-c3ccccc3C(=O)N(C)CCC[NH+](C)C)o2)cc1 ZINC000181984298 822053289 /nfs/dbraw/zinc/05/32/89/822053289.db2.gz ULOSKNMELOMJTP-UHFFFAOYSA-N 1 0 377.488 4.341 20 0 GIADRO C[C@H]([NH2+]CCOc1ncc(C(F)(F)F)cc1Cl)c1ccc(OCC#N)cc1 ZINC000181988225 822054575 /nfs/dbraw/zinc/05/45/75/822054575.db2.gz BXDRSSATFIBREI-LBPRGKRZSA-N 1 0 399.800 4.386 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1)c1ccc(-n2ccnn2)cc1 ZINC000182017060 822063608 /nfs/dbraw/zinc/06/36/08/822063608.db2.gz MVDDPEFHQUHLGC-MRXNPFEDSA-N 1 0 378.476 4.073 20 0 GIADRO C[C@@H]([NH2+]Cc1cn2cccnc2n1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000182018253 822064204 /nfs/dbraw/zinc/06/42/04/822064204.db2.gz TUPAIDZSXYKEHM-MRXNPFEDSA-N 1 0 376.435 4.298 20 0 GIADRO O=c1ccccn1Cc1ccc(C[NH2+][C@@H]2CCCOc3cc(F)ccc32)cc1 ZINC000182019681 822064604 /nfs/dbraw/zinc/06/46/04/822064604.db2.gz JKXMTHOKTFWTSJ-OAQYLSRUSA-N 1 0 378.447 4.039 20 0 GIADRO CC(=O)Nc1ccc([C@@H](C)[NH2+]CCOc2cccc(Br)c2)cc1 ZINC000182019420 822064761 /nfs/dbraw/zinc/06/47/61/822064761.db2.gz WOUFKVWIPFFEHX-CYBMUJFWSA-N 1 0 377.282 4.137 20 0 GIADRO CN(C)C(=O)C1CC[NH+](Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)CC1 ZINC000182056081 822077005 /nfs/dbraw/zinc/07/70/05/822077005.db2.gz PSLYCALFQNJXMQ-UHFFFAOYSA-N 1 0 380.410 4.266 20 0 GIADRO C[C@H](CSCc1ccccc1)C(=O)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC000182062310 822078328 /nfs/dbraw/zinc/07/83/28/822078328.db2.gz JPROJVQQLNXLGE-GOSISDBHSA-N 1 0 398.572 4.151 20 0 GIADRO CC(C)Cc1ccc(CC(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000182066372 822079800 /nfs/dbraw/zinc/07/98/00/822079800.db2.gz IPGDYXFZTAQQQH-UHFFFAOYSA-N 1 0 380.532 4.023 20 0 GIADRO CC(=O)Nc1ccc([C@@H](C)[NH2+][C@H](CNC(=O)OC(C)(C)C)CC(C)C)cc1 ZINC000182076201 822083525 /nfs/dbraw/zinc/08/35/25/822083525.db2.gz ATMHLTNWPJXJRQ-BEFAXECRSA-N 1 0 377.529 4.235 20 0 GIADRO Cc1nc([C@H](NC2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)c2ccccc2F)no1 ZINC000182078828 822084760 /nfs/dbraw/zinc/08/47/60/822084760.db2.gz QBWICQHLHNOAHP-RRMPHLOHSA-N 1 0 386.515 4.239 20 0 GIADRO COc1ccc([C@H](C)[NH2+]Cc2ncc(C)c(OC)c2C)cc1Br ZINC000182080620 822085448 /nfs/dbraw/zinc/08/54/48/822085448.db2.gz GAFWBWHNWCKLII-ZDUSSCGKSA-N 1 0 379.298 4.329 20 0 GIADRO CC(C)Sc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1 ZINC000182096136 822092625 /nfs/dbraw/zinc/09/26/25/822092625.db2.gz QNJUHBDHFFSMNU-MRXNPFEDSA-N 1 0 399.560 4.178 20 0 GIADRO C[S@@](=O)C[C@@H]([NH2+]Cc1cccc(OCc2ccccc2)c1)c1ccccc1 ZINC000182100051 822093471 /nfs/dbraw/zinc/09/34/71/822093471.db2.gz GPODLUVKQAHNGZ-YIXXDRMTSA-N 1 0 379.525 4.475 20 0 GIADRO Cc1cc(C[NH2+][C@@H](C[S@](C)=O)c2ccccc2)ccc1Oc1cccnc1 ZINC000182100933 822094048 /nfs/dbraw/zinc/09/40/48/822094048.db2.gz INGXUVXHNZRMBL-IDISGSTGSA-N 1 0 380.513 4.392 20 0 GIADRO C[S@](=O)C[C@@H]([NH2+]Cc1ccc(Cl)c(Br)c1)c1ccccc1 ZINC000182103969 822095134 /nfs/dbraw/zinc/09/51/34/822095134.db2.gz WWCWVFUIEUKCBM-IERDGZPVSA-N 1 0 386.742 4.312 20 0 GIADRO CC[C@H]1Oc2cc([C@H](C)[NH2+][C@@H](C)c3ccc(NC(C)=O)cc3)ccc2NC1=O ZINC000182105532 822095902 /nfs/dbraw/zinc/09/59/02/822095902.db2.gz BJVHBIYTVXHFQB-PJSUUKDQSA-N 1 0 381.476 4.166 20 0 GIADRO COC(=O)c1ccc(Cl)c(C[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)c1 ZINC000182111939 822098607 /nfs/dbraw/zinc/09/86/07/822098607.db2.gz JQIDGFPUIHZQTE-AWEZNQCLSA-N 1 0 386.879 4.104 20 0 GIADRO CC(C)Sc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000182111546 822098682 /nfs/dbraw/zinc/09/86/82/822098682.db2.gz FQEHXVSBHVZAEP-ZIAGYGMSSA-N 1 0 398.532 4.035 20 0 GIADRO C[C@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C(F)(F)F)c1ccccc1 ZINC000182119148 822102265 /nfs/dbraw/zinc/10/22/65/822102265.db2.gz LKEWBIVNZRSNMO-HNNXBMFYSA-N 1 0 391.437 4.199 20 0 GIADRO C[C@H](Nc1cccc(OC[C@@H]2CCCO2)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000182129773 822108286 /nfs/dbraw/zinc/10/82/86/822108286.db2.gz AWDHMNIFCZBGNB-MBSDFSHPSA-N 1 0 384.520 4.358 20 0 GIADRO CCSc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccccc2N2CCCC2=O)cc1 ZINC000182131301 822109219 /nfs/dbraw/zinc/10/92/19/822109219.db2.gz IHBFAKJDOHOFBU-INIZCTEOSA-N 1 0 397.544 4.215 20 0 GIADRO Cc1cccnc1[C@@H]([NH2+]C[C@H](O)COc1ccccc1C(F)(F)F)C(C)C ZINC000182175258 822132437 /nfs/dbraw/zinc/13/24/37/822132437.db2.gz PYNWBCFGQDXEBS-YJBOKZPZSA-N 1 0 382.426 4.135 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)N(C)C[C@H](C)c1nccs1)c1ccsc1 ZINC000182187725 822138742 /nfs/dbraw/zinc/13/87/42/822138742.db2.gz BALZEBFUFNLEFL-HOCLYGCPSA-N 1 0 380.583 4.033 20 0 GIADRO COC(=O)c1ccc(C[NH2+]C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)o1 ZINC000182207560 822147301 /nfs/dbraw/zinc/14/73/01/822147301.db2.gz VGOBTIOTXDLJLS-UHFFFAOYSA-N 1 0 397.302 4.127 20 0 GIADRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)C1 ZINC000182213708 822150470 /nfs/dbraw/zinc/15/04/70/822150470.db2.gz PDCVSKSGKMYRRE-HNNXBMFYSA-N 1 0 380.410 4.266 20 0 GIADRO CC(=O)Nc1ccc([C@@H](C)[NH2+][C@H](C)c2c(C)nn(CC(F)(F)F)c2C)cc1 ZINC000182223442 822154780 /nfs/dbraw/zinc/15/47/80/822154780.db2.gz HDVJCLDMDSVKFG-VXGBXAGGSA-N 1 0 382.430 4.432 20 0 GIADRO CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)cc1 ZINC000182222715 822154901 /nfs/dbraw/zinc/15/49/01/822154901.db2.gz ZRKDXSGJZKFJFI-SUMWQHHRSA-N 1 0 375.875 4.367 20 0 GIADRO CN(C)C(=O)CC1CC[NH+]([C@@H]2CCCc3ccc(Br)cc32)CC1 ZINC000182227879 822157172 /nfs/dbraw/zinc/15/71/72/822157172.db2.gz WVBSNVRTRMUQNW-GOSISDBHSA-N 1 0 379.342 4.017 20 0 GIADRO C[C@@H](CCNC(=O)c1ccccc1-c1nc(C(C)(C)C)no1)[NH+]1CCCCC1 ZINC000182233503 822159358 /nfs/dbraw/zinc/15/93/58/822159358.db2.gz HJNOKHXJMOCPAG-INIZCTEOSA-N 1 0 384.524 4.028 20 0 GIADRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H](c1cccs1)c1ccc2c(c1)CCCC2 ZINC000182248849 822167495 /nfs/dbraw/zinc/16/74/95/822167495.db2.gz ZEUNNGQIFGRYHK-FOIQADDNSA-N 1 0 377.575 4.129 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]C2(c3cccc(Cl)c3)CC2)c1 ZINC000182259116 822173201 /nfs/dbraw/zinc/17/32/01/822173201.db2.gz LWWZSDUZVFBNNR-CQSZACIVSA-N 1 0 388.895 4.353 20 0 GIADRO CC1CC[NH+](Cc2ccccc2CNC(=O)N2CCCC[C@@H]2c2cn[nH]c2)CC1 ZINC000182303037 822194613 /nfs/dbraw/zinc/19/46/13/822194613.db2.gz AIOMJGWTUQIBSD-JOCHJYFZSA-N 1 0 395.551 4.078 20 0 GIADRO COc1ccc(OC)c([C@H]2CCCN2C(=O)C[NH2+][C@@H](C)c2ccc(C)cc2)c1 ZINC000182311920 822198994 /nfs/dbraw/zinc/19/89/94/822198994.db2.gz UILGOQOANZVJAB-LAUBAEHRSA-N 1 0 382.504 4.027 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(C)cc2)c(C(F)(F)F)c1 ZINC000182335335 822206169 /nfs/dbraw/zinc/20/61/69/822206169.db2.gz CDMRROKEIIBZGD-CYBMUJFWSA-N 1 0 393.409 4.262 20 0 GIADRO Cc1cc(C)c(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)c(Cl)n1 ZINC000182340278 822208032 /nfs/dbraw/zinc/20/80/32/822208032.db2.gz ZRMPJBKGKVSFMF-UHFFFAOYSA-N 1 0 386.927 4.135 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3cc(F)cc4cccnc43)cc2)CC1 ZINC000182350296 822210647 /nfs/dbraw/zinc/21/06/47/822210647.db2.gz LVRIKGVMOBFQRF-UHFFFAOYSA-N 1 0 392.478 4.157 20 0 GIADRO C[C@H](OC1CCCCCC1)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000182355190 822212579 /nfs/dbraw/zinc/21/25/79/822212579.db2.gz ASEKNXAAHQMDAF-SFHVURJKSA-N 1 0 387.568 4.283 20 0 GIADRO CC(C)[C@H](NC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1nc2ccccc2[nH]1 ZINC000182354717 822212686 /nfs/dbraw/zinc/21/26/86/822212686.db2.gz IRVDVMOFFFEDFR-FVJLSDCUSA-N 1 0 397.567 4.212 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H]3C[C@@]34CCc3ccccc34)cc2)CC1 ZINC000182355477 822213107 /nfs/dbraw/zinc/21/31/07/822213107.db2.gz DBAWNUFLFGPCGU-ILBGXUMGSA-N 1 0 389.543 4.060 20 0 GIADRO C[C@@H](CC(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1)c1cccc(F)c1 ZINC000182362441 822215908 /nfs/dbraw/zinc/21/59/08/822215908.db2.gz IRGMJADEEQGNCJ-KRWDZBQOSA-N 1 0 383.511 4.488 20 0 GIADRO CCOc1ccc(CCC(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)cc1 ZINC000182366016 822216721 /nfs/dbraw/zinc/21/67/21/822216721.db2.gz QQXZJOGYSZUETA-UHFFFAOYSA-N 1 0 395.547 4.187 20 0 GIADRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)c1 ZINC000182411501 822233534 /nfs/dbraw/zinc/23/35/34/822233534.db2.gz UHRWOAFPRHRYRN-KBPBESRZSA-N 1 0 376.884 4.349 20 0 GIADRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)c1 ZINC000182411544 822233671 /nfs/dbraw/zinc/23/36/71/822233671.db2.gz UHRWOAFPRHRYRN-KGLIPLIRSA-N 1 0 376.884 4.349 20 0 GIADRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)c1 ZINC000182437482 822242879 /nfs/dbraw/zinc/24/28/79/822242879.db2.gz KMWDGAHHAAAKMB-WDEREUQCSA-N 1 0 383.275 4.385 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000182451050 822246924 /nfs/dbraw/zinc/24/69/24/822246924.db2.gz IXXCEURFBRINCV-UHOSZYNNSA-N 1 0 398.576 4.305 20 0 GIADRO COCc1cc([C@@H](C)[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)ccc1OC ZINC000177939187 822249622 /nfs/dbraw/zinc/24/96/22/822249622.db2.gz RUBCBGUNZAMRDK-CMJOXMDJSA-N 1 0 383.488 4.415 20 0 GIADRO COc1ccc(OC)c(CC[NH2+][C@@H](C)c2sc(-c3cccnc3)nc2C)c1 ZINC000177956586 822256896 /nfs/dbraw/zinc/25/68/96/822256896.db2.gz MKICSQPQBNISCO-AWEZNQCLSA-N 1 0 383.517 4.424 20 0 GIADRO COCc1ccsc1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000182476820 822257608 /nfs/dbraw/zinc/25/76/08/822257608.db2.gz HAVWVQTWAQRPSH-ICSRJNTNSA-N 1 0 384.545 4.021 20 0 GIADRO C[C@H]([NH2+]Cc1ccccc1N1CCOCC1)c1ccc(F)c(Br)c1 ZINC000177963606 822259625 /nfs/dbraw/zinc/25/96/25/822259625.db2.gz UTADFCLKNHOMBI-AWEZNQCLSA-N 1 0 393.300 4.276 20 0 GIADRO CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]CC(=O)N1CCCc2ccccc21 ZINC000177982194 822268619 /nfs/dbraw/zinc/26/86/19/822268619.db2.gz OQVQABDIZPECTC-GOSISDBHSA-N 1 0 393.531 4.096 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)Nc2cc(Br)c(F)cc2Cl)CC[N@@H+]1C ZINC000177992214 822273159 /nfs/dbraw/zinc/27/31/59/822273159.db2.gz CRGVCYYDHFNEEY-UWVGGRQHSA-N 1 0 392.700 4.188 20 0 GIADRO O=C1CCCN1Cc1cccc(C[NH2+][C@H]2CCCOc3c(Cl)cccc32)c1 ZINC000177992535 822273466 /nfs/dbraw/zinc/27/34/66/822273466.db2.gz PHZJWUUIHZTEPB-FQEVSTJZSA-N 1 0 384.907 4.466 20 0 GIADRO CCCc1c(C(=O)Nc2cc(C[NH+](C)C)ccc2C)cnn1-c1ccccc1 ZINC000182510113 822275036 /nfs/dbraw/zinc/27/50/36/822275036.db2.gz FZBFYSZSHLDBBU-UHFFFAOYSA-N 1 0 376.504 4.447 20 0 GIADRO CC(=O)c1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000182519161 822279577 /nfs/dbraw/zinc/27/95/77/822279577.db2.gz IRMJVULGEQJXAV-LBPRGKRZSA-N 1 0 380.366 4.077 20 0 GIADRO CCc1nc([C@@H](C)NC(=O)N2CCC(CCC[NH+](CC)CC)CC2)cs1 ZINC000182520559 822280270 /nfs/dbraw/zinc/28/02/70/822280270.db2.gz SPQWADJLWURJRI-MRXNPFEDSA-N 1 0 380.602 4.310 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(NC(=O)c3ccccc3)ccc2C)C1 ZINC000178014782 822283343 /nfs/dbraw/zinc/28/33/43/822283343.db2.gz GYAKFFRQCAUXSW-SFHVURJKSA-N 1 0 394.519 4.053 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cc(NC(=O)c3ccccc3)ccc2C)C1 ZINC000178014800 822283387 /nfs/dbraw/zinc/28/33/87/822283387.db2.gz GYAKFFRQCAUXSW-GOSISDBHSA-N 1 0 394.519 4.053 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccccc2CN2CCc3ccccc32)C1 ZINC000178019161 822284284 /nfs/dbraw/zinc/28/42/84/822284284.db2.gz FZWSLPQQONNKRC-IBGZPJMESA-N 1 0 392.547 4.055 20 0 GIADRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CCNC(=O)c3ccccc3)s2)cc1 ZINC000178022997 822286994 /nfs/dbraw/zinc/28/69/94/822286994.db2.gz WCYGSDICRQUAOL-OAHLLOKOSA-N 1 0 395.528 4.208 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(OCc3ccccc3F)cc2)C1 ZINC000178025448 822288121 /nfs/dbraw/zinc/28/81/21/822288121.db2.gz UDHCTJIIUVCKCM-QGZVFWFLSA-N 1 0 385.483 4.210 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(NS(C)(=O)=O)cc1)c1ccccc1Br ZINC000178027019 822288677 /nfs/dbraw/zinc/28/86/77/822288677.db2.gz FESMAFCPMQOMTQ-QWHCGFSZSA-N 1 0 397.338 4.232 20 0 GIADRO C[C@@H]1C[NH+](CCCCNC(=O)N(c2ccccc2)c2ccccc2)C[C@@H](C)O1 ZINC000182540600 822291556 /nfs/dbraw/zinc/29/15/56/822291556.db2.gz IHXTVWSEVIJDRC-WOJBJXKFSA-N 1 0 381.520 4.424 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(Oc3cccc(C)c3C)nc2)C1 ZINC000178040843 822294906 /nfs/dbraw/zinc/29/49/06/822294906.db2.gz GTIXQEUVHSXPQL-SFHVURJKSA-N 1 0 382.508 4.296 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+]CC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)c1 ZINC000182547264 822295403 /nfs/dbraw/zinc/29/54/03/822295403.db2.gz OFBYHFGGQLODJZ-HOTGVXAUSA-N 1 0 393.487 4.261 20 0 GIADRO Cc1nc(C)c([C@H](C)[NH2+]C2CCN(c3ccc(C(F)(F)F)cn3)CC2)s1 ZINC000178043190 822296079 /nfs/dbraw/zinc/29/60/79/822296079.db2.gz FXENVWBQEFZZPD-LBPRGKRZSA-N 1 0 384.471 4.493 20 0 GIADRO CCOc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(OC[C@@H]3CCCO3)cc1)CCO2 ZINC000178043895 822296767 /nfs/dbraw/zinc/29/67/67/822296767.db2.gz MCRSVDNMLUZGAA-RBBKRZOGSA-N 1 0 383.488 4.257 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1)c1ccc(NS(C)(=O)=O)cc1 ZINC000178048961 822299494 /nfs/dbraw/zinc/29/94/94/822299494.db2.gz VNQBWYTZZDWRRQ-STQMWFEESA-N 1 0 386.439 4.489 20 0 GIADRO Cc1ccccc1COc1ccc([C@@H](C)[NH2+]Cc2cccnc2-n2cncn2)cc1 ZINC000178051178 822301324 /nfs/dbraw/zinc/30/13/24/822301324.db2.gz JIOXVBKOFNTSIR-LJQANCHMSA-N 1 0 399.498 4.401 20 0 GIADRO C[C@H](NC(=O)N[C@@H]1CCc2c1cccc2Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182559096 822301791 /nfs/dbraw/zinc/30/17/91/822301791.db2.gz GVZQDNFMSGRVGW-AUSJPIAWSA-N 1 0 375.944 4.280 20 0 GIADRO COc1cc(C[N@@H+]2CCC[C@H](CNC(=O)c3ccccc3)C2)ccc1SC ZINC000178053468 822301838 /nfs/dbraw/zinc/30/18/38/822301838.db2.gz FYQDMPJVTLVUQC-GOSISDBHSA-N 1 0 384.545 4.059 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)Nc1ccc(-c2ncco2)cc1 ZINC000182558503 822302022 /nfs/dbraw/zinc/30/20/22/822302022.db2.gz SFYRELBKBWSZSW-UHFFFAOYSA-N 1 0 376.460 4.259 20 0 GIADRO C[NH+](C)CCCC1CCN(C(=O)CCc2cc(F)ccc2Br)CC1 ZINC000182569972 822307193 /nfs/dbraw/zinc/30/71/93/822307193.db2.gz YOBDLLBMKVYTPA-UHFFFAOYSA-N 1 0 399.348 4.101 20 0 GIADRO CCN(CC)C(=O)CCC1CC[NH+]([C@@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000182576994 822309898 /nfs/dbraw/zinc/30/98/98/822309898.db2.gz UYNUDQFKGBNZBE-KRWDZBQOSA-N 1 0 384.524 4.158 20 0 GIADRO COc1cccc([C@@H](O)C[NH2+][C@H](C)c2cnn(-c3cc(C)ccc3C)c2C)c1 ZINC000178082680 822312088 /nfs/dbraw/zinc/31/20/88/822312088.db2.gz QNTKBKPRRNQPPE-HXOBKFHXSA-N 1 0 379.504 4.190 20 0 GIADRO CC[C@@H]([NH2+]CC(=O)Nc1cccc(N2CCCC2=O)c1)c1cccc(Cl)c1 ZINC000182583360 822312187 /nfs/dbraw/zinc/31/21/87/822312187.db2.gz PYIUMKZAKQDASG-LJQANCHMSA-N 1 0 385.895 4.146 20 0 GIADRO COc1cccc([C@@H](O)C[NH2+][C@H](C)c2cnn(-c3cccc(Cl)c3)c2C)c1 ZINC000178082558 822312285 /nfs/dbraw/zinc/31/22/85/822312285.db2.gz XXWJGRKOJGHMCJ-SZNDQCEHSA-N 1 0 385.895 4.227 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)c1ccc2ccccc2n1 ZINC000178085880 822313504 /nfs/dbraw/zinc/31/35/04/822313504.db2.gz UATREEKXQXOVAA-KURKYZTESA-N 1 0 376.504 4.094 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cccn3)cc2)cc(OC)c1OC ZINC000178088035 822314151 /nfs/dbraw/zinc/31/41/51/822314151.db2.gz PDWSCCZBGOOFTO-JKSUJKDBSA-N 1 0 381.476 4.310 20 0 GIADRO Cc1ccc(NC(=O)C2CC2)cc1N[C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000182592938 822314967 /nfs/dbraw/zinc/31/49/67/822314967.db2.gz XMCYJYTZTPNFAW-QGZVFWFLSA-N 1 0 381.520 4.457 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCc3c2cccc3Cl)c1 ZINC000178090624 822315125 /nfs/dbraw/zinc/31/51/25/822315125.db2.gz ZDODARAAVWHPFF-FZKQIMNGSA-N 1 0 388.895 4.351 20 0 GIADRO COc1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@H](C)C(=O)NC(C)(C)C)CCC3)cc1 ZINC000178096178 822317591 /nfs/dbraw/zinc/31/75/91/822317591.db2.gz TYZVUZFNEQULJI-CJNGLKHVSA-N 1 0 387.549 4.089 20 0 GIADRO Cc1nn(C)cc1[C@H](C)[NH2+]C[C@H](c1ccccc1)N1CCc2sccc2C1 ZINC000178096943 822318290 /nfs/dbraw/zinc/31/82/90/822318290.db2.gz YDLWFITWDKXULK-HRAATJIYSA-N 1 0 380.561 4.240 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1)c1ccc2c(c1)CCC(=O)N2 ZINC000178102608 822319882 /nfs/dbraw/zinc/31/98/82/822319882.db2.gz DGRVXIPYSYRTRU-OAHLLOKOSA-N 1 0 380.488 4.377 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1)c1ccc(N2CCOC2=O)cc1 ZINC000178102232 822320033 /nfs/dbraw/zinc/32/00/33/822320033.db2.gz WOHABZXHVWHHBC-INIZCTEOSA-N 1 0 396.487 4.449 20 0 GIADRO C[C@H](NC(=O)N[C@@H](c1ccccc1)c1ccncc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182608710 822320884 /nfs/dbraw/zinc/32/08/84/822320884.db2.gz NWEPVGWSIMOUNT-HARLFGEKSA-N 1 0 392.547 4.123 20 0 GIADRO C[C@H](NC(=O)N[C@@H](c1ccccc1)c1cccnc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182609517 822321270 /nfs/dbraw/zinc/32/12/70/822321270.db2.gz YZLUOZLHFZJROF-HARLFGEKSA-N 1 0 392.547 4.123 20 0 GIADRO Cc1nc(CN2CCC(C[NH2+][C@H]3CCSc4c(F)cccc43)CC2)oc1C ZINC000178105940 822321815 /nfs/dbraw/zinc/32/18/15/822321815.db2.gz HITQQLPOIUELOF-IBGZPJMESA-N 1 0 389.540 4.469 20 0 GIADRO C[C@@H](CN(C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1nccs1 ZINC000182612391 822322347 /nfs/dbraw/zinc/32/23/47/822322347.db2.gz KPQDPGDQPWVGQK-OHSMVPPVSA-N 1 0 398.576 4.084 20 0 GIADRO CCc1ccc([C@@H]([NH2+][C@@H](C)CCCOC)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000178107047 822322589 /nfs/dbraw/zinc/32/25/89/822322589.db2.gz AXJHFKALNOSMHM-HTAPYJJXSA-N 1 0 389.561 4.147 20 0 GIADRO CCOC(=O)C1CCC([NH2+]C[C@H](O)c2cccc(OCc3ccccc3)c2)CC1 ZINC000182618707 822325019 /nfs/dbraw/zinc/32/50/19/822325019.db2.gz HLEUPHINFWBHAD-IRSIHTCSSA-N 1 0 397.515 4.011 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@@H](c2ccccc2)[C@@H]2CCCO2)cc1 ZINC000178122838 822326046 /nfs/dbraw/zinc/32/60/46/822326046.db2.gz ANXJVTVGHXCDEJ-NDXORKPFSA-N 1 0 388.533 4.019 20 0 GIADRO COc1ccc([C@@H](N[C@@H](C)c2ccoc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000178123801 822326522 /nfs/dbraw/zinc/32/65/22/822326522.db2.gz KGUFMSHOCBGNDT-YCRPNKLZSA-N 1 0 385.485 4.132 20 0 GIADRO COc1ccc(CN(C)C(=O)[C@@H](C)[NH2+][C@H](C)c2cc3ccccc3o2)cc1F ZINC000182626295 822328420 /nfs/dbraw/zinc/32/84/20/822328420.db2.gz YBROFMNKBNXLGR-HUUCEWRRSA-N 1 0 384.451 4.278 20 0 GIADRO C[C@H](NC(=O)NCCCc1c[nH]c2ccccc12)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182628091 822329325 /nfs/dbraw/zinc/32/93/25/822329325.db2.gz WFRDPXDUVFKVGT-HKUYNNGSSA-N 1 0 382.552 4.053 20 0 GIADRO COc1ccc(CN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c2cc3ccccc3o2)cc1OC ZINC000182629167 822330036 /nfs/dbraw/zinc/33/00/36/822330036.db2.gz HBLJFCVGQNFXQU-HOTGVXAUSA-N 1 0 396.487 4.148 20 0 GIADRO COC(=O)[C@@H](C)Oc1ccc(C[NH2+][C@@H](C)c2cccc(OC(F)(F)F)c2)cc1 ZINC000182633908 822332148 /nfs/dbraw/zinc/33/21/48/822332148.db2.gz UNBOHXATOOVUJS-UONOGXRCSA-N 1 0 397.393 4.376 20 0 GIADRO COc1cc2c(cc1OC)[C@H](c1cccs1)[N@H+](Cc1ccc(CO)cc1)CC2 ZINC000182634296 822332588 /nfs/dbraw/zinc/33/25/88/822332588.db2.gz WUVZNEJIZBFDDF-HSZRJFAPSA-N 1 0 395.524 4.405 20 0 GIADRO Cc1cc(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)ccc1NC(=O)c1ccco1 ZINC000178146332 822332912 /nfs/dbraw/zinc/33/29/12/822332912.db2.gz PIHKYTHOEOCWMG-KRWDZBQOSA-N 1 0 395.503 4.433 20 0 GIADRO COc1cc(C)c([C@@H](C)NC(=O)C[NH2+][C@@H](C)c2cc3ccccc3o2)cc1OC ZINC000182639419 822334529 /nfs/dbraw/zinc/33/45/29/822334529.db2.gz BIFZPDMAEAMLLO-CVEARBPZSA-N 1 0 396.487 4.286 20 0 GIADRO Cc1ccc(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)c(OC[C@@H]2CCCO2)c1 ZINC000178151388 822334845 /nfs/dbraw/zinc/33/48/45/822334845.db2.gz IYIJIVQDGJZXOA-QUCCMNQESA-N 1 0 386.536 4.146 20 0 GIADRO CC[C@H](NC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(F)cc1F ZINC000182651867 822339768 /nfs/dbraw/zinc/33/97/68/822339768.db2.gz SOGPGIKOJLFZNK-SXGZJXTBSA-N 1 0 379.495 4.368 20 0 GIADRO CCC(CC)c1cc(CNC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)on1 ZINC000182671049 822346012 /nfs/dbraw/zinc/34/60/12/822346012.db2.gz PRYDPXQRWSPMLC-RDJZCZTQSA-N 1 0 376.545 4.030 20 0 GIADRO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NCc2ccc(-c3ccc(F)cc3)o2)c1 ZINC000178190344 822347819 /nfs/dbraw/zinc/34/78/19/822347819.db2.gz DHWCNAODXKKIJH-OAQYLSRUSA-N 1 0 393.462 4.148 20 0 GIADRO CCOC(=O)C1CCC([NH2+]C[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000182678934 822348771 /nfs/dbraw/zinc/34/87/71/822348771.db2.gz WGYUAOUKTGXYCS-KXYPLQGCSA-N 1 0 396.934 4.183 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1cc(Cl)ccc1OC(F)F ZINC000178194898 822348994 /nfs/dbraw/zinc/34/89/94/822348994.db2.gz OCZNQSYVZUSHBR-GXTWGEPZSA-N 1 0 382.842 4.051 20 0 GIADRO Cc1ccc(O[C@@H](C)C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)c(Br)c1 ZINC000178197169 822349403 /nfs/dbraw/zinc/34/94/03/822349403.db2.gz RNIXEYYXNHACNI-OLZOCXBDSA-N 1 0 377.282 4.183 20 0 GIADRO C[C@H](c1cccnc1)N(C)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000178199105 822350444 /nfs/dbraw/zinc/35/04/44/822350444.db2.gz WTDAHARRMFAUPY-GOSISDBHSA-N 1 0 382.508 4.171 20 0 GIADRO Cc1cc(C)c2c(c1)[C@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1F)CCCO2 ZINC000178203123 822351294 /nfs/dbraw/zinc/35/12/94/822351294.db2.gz WHJIYFWPPREWSZ-OAHLLOKOSA-N 1 0 378.394 4.163 20 0 GIADRO COc1cc([C@H](C)[NH2+]CC(=O)Nc2ccc(F)c(F)c2F)ccc1SC ZINC000178202916 822351344 /nfs/dbraw/zinc/35/13/44/822351344.db2.gz MMZIIIJUBMRAKH-JTQLQIEISA-N 1 0 384.423 4.124 20 0 GIADRO C[C@H](CCNC(=O)N1CCC[C@H]1c1nc2ccccc2s1)[NH+]1CCCCC1 ZINC000182688633 822351996 /nfs/dbraw/zinc/35/19/96/822351996.db2.gz CVXAHABKDSYEMR-AEFFLSMTSA-N 1 0 386.565 4.407 20 0 GIADRO COC[C@H](NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(F)c(F)c1 ZINC000182691938 822352712 /nfs/dbraw/zinc/35/27/12/822352712.db2.gz AMLPGDFNPVAXRX-QRWLVFNGSA-N 1 0 380.504 4.216 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@@H](C)c2cn(C)nc2C)ccc1OCc1ccncc1 ZINC000178214143 822354388 /nfs/dbraw/zinc/35/43/88/822354388.db2.gz BDZIFKBXPUUVPW-HOTGVXAUSA-N 1 0 380.492 4.123 20 0 GIADRO COC[C@@H]([NH2+]Cc1ccc(NC(=O)c2cccnc2)cc1)c1ccc(F)c(F)c1 ZINC000182699663 822354543 /nfs/dbraw/zinc/35/45/43/822354543.db2.gz YNPXPAAHRPFSCZ-OAQYLSRUSA-N 1 0 397.425 4.089 20 0 GIADRO C[C@H]([NH3+])c1ccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)c2ccccc2)cc1 ZINC000178219695 822355149 /nfs/dbraw/zinc/35/51/49/822355149.db2.gz JVVFATSLZOJWEN-PWZKMPOXSA-N 1 0 391.515 4.118 20 0 GIADRO C[C@@H]([NH3+])c1ccc(NC(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)cc1 ZINC000178228313 822356431 /nfs/dbraw/zinc/35/64/31/822356431.db2.gz CDMHEMMFKLJBTK-ABAIWWIYSA-N 1 0 392.286 4.005 20 0 GIADRO COc1ccccc1N1CCC([NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)CC1 ZINC000178230974 822356675 /nfs/dbraw/zinc/35/66/75/822356675.db2.gz KOBDTCDXOWYGGS-GOSISDBHSA-N 1 0 393.531 4.142 20 0 GIADRO C[C@@H]([NH2+]C1CCN(Cc2ccncc2)CC1)[C@H](C)c1nc2ccccc2s1 ZINC000178233052 822357130 /nfs/dbraw/zinc/35/71/30/822357130.db2.gz ZNZHYPARCDWDAN-DLBZAZTESA-N 1 0 380.561 4.438 20 0 GIADRO CC(C)COc1cn(-c2ccccc2)nc1C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000178240546 822357676 /nfs/dbraw/zinc/35/76/76/822357676.db2.gz SXJHCPUYFGFFLY-INIZCTEOSA-N 1 0 378.476 4.179 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)N(Cc1ccco1)Cc1ccco1 ZINC000045027281 822358149 /nfs/dbraw/zinc/35/81/49/822358149.db2.gz RGVGXECRKIEBQU-UHFFFAOYSA-N 1 0 393.487 4.249 20 0 GIADRO CCc1cccnc1[C@@H](C)[NH2+][C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1 ZINC000453409229 822358861 /nfs/dbraw/zinc/35/88/61/822358861.db2.gz RBNLSWBNEWDPRF-AYOQOUSVSA-N 1 0 377.454 4.325 20 0 GIADRO COC(=O)c1ccc(C[NH2+][C@@H](Cc2ccc(F)cc2)c2ccc(OC)cc2)o1 ZINC000178255770 822359249 /nfs/dbraw/zinc/35/92/49/822359249.db2.gz MDPQSODEZAUEDS-FQEVSTJZSA-N 1 0 383.419 4.288 20 0 GIADRO Brc1ccc2c(c1)OCCC[C@H]2NC1CC[NH+](CC2CC2)CC1 ZINC000178256879 822359553 /nfs/dbraw/zinc/35/95/53/822359553.db2.gz OIFLELGTCKXRIY-GOSISDBHSA-N 1 0 379.342 4.127 20 0 GIADRO CC(C)c1c(C(=O)NC2CC[NH+](C(C)C)CC2)cnn1-c1ccc(Cl)cc1 ZINC000045055415 822359981 /nfs/dbraw/zinc/35/99/81/822359981.db2.gz IAHOZTRPQLTVHR-UHFFFAOYSA-N 1 0 388.943 4.252 20 0 GIADRO CC[C@H]([NH2+][C@H](C)c1ccc2c(c1)CCC2)c1ccccc1OCC(=O)N(C)C ZINC000178258814 822360072 /nfs/dbraw/zinc/36/00/72/822360072.db2.gz XBNGJWNWKDXZTD-VGSWGCGISA-N 1 0 380.532 4.444 20 0 GIADRO C[C@H]([NH3+])c1ccc(NC(=O)C2CCN(c3nc4ccccc4s3)CC2)cc1 ZINC000178262269 822360495 /nfs/dbraw/zinc/36/04/95/822360495.db2.gz CAPCXXGBKJVFGV-AWEZNQCLSA-N 1 0 380.517 4.171 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)ccc1OC(F)F ZINC000178266559 822360882 /nfs/dbraw/zinc/36/08/82/822360882.db2.gz PQUHLFBBWFWYCR-OLZOCXBDSA-N 1 0 379.403 4.480 20 0 GIADRO O=C1CCCN1C1CC[NH+](CCSc2ccnc3cc(Cl)ccc32)CC1 ZINC000182748073 822361725 /nfs/dbraw/zinc/36/17/25/822361725.db2.gz DHKRXUHQEMCBEV-UHFFFAOYSA-N 1 0 389.952 4.067 20 0 GIADRO CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC000453429887 822361834 /nfs/dbraw/zinc/36/18/34/822361834.db2.gz CMWLYCDRMZQANX-INIZCTEOSA-N 1 0 391.947 4.012 20 0 GIADRO O=C(c1ccc(-c2nc3ccccc3s2)o1)N1CC[NH+](C2CCCC2)CC1 ZINC000045083608 822361822 /nfs/dbraw/zinc/36/18/22/822361822.db2.gz KTUFFNIKSHMAAY-UHFFFAOYSA-N 1 0 381.501 4.257 20 0 GIADRO Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@H](C)CCc1cccc(C(F)(F)F)c1 ZINC000453442199 822363629 /nfs/dbraw/zinc/36/36/29/822363629.db2.gz NEHKYNUCSDURSE-HIFRSBDPSA-N 1 0 379.426 4.347 20 0 GIADRO Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)[NH2+]CCC(=O)N(C)C ZINC000178292796 822363966 /nfs/dbraw/zinc/36/39/66/822363966.db2.gz WQRKVVZNJWCOAA-LLVKDONJSA-N 1 0 396.354 4.010 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)CCc1ccccc1)c1cccc(OCc2ccccn2)c1 ZINC000182766545 822364297 /nfs/dbraw/zinc/36/42/97/822364297.db2.gz MLTGNALZBVNBOI-WMZHIEFXSA-N 1 0 376.500 4.305 20 0 GIADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](Cc2ccccc2)c2ccccc2)cc1 ZINC000178297696 822364762 /nfs/dbraw/zinc/36/47/62/822364762.db2.gz FBLOQGKVMAPURN-WZONZLPQSA-N 1 0 394.540 4.229 20 0 GIADRO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(Oc2ccccc2)nc1 ZINC000178301348 822364967 /nfs/dbraw/zinc/36/49/67/822364967.db2.gz FGILRCKHBUKUJZ-XXBNENTESA-N 1 0 388.515 4.269 20 0 GIADRO CCn1c([C@H]2CCCCO2)nnc1N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000453451746 822365836 /nfs/dbraw/zinc/36/58/36/822365836.db2.gz PBCLSPRSGDRURV-AZUAARDMSA-N 1 0 389.588 4.021 20 0 GIADRO Cc1nc([C@@H](C)[N@@H+]2CCC[C@H](C3OCCO3)C2)oc1-c1ccc(Cl)cc1 ZINC000178315325 822366499 /nfs/dbraw/zinc/36/64/99/822366499.db2.gz PAGFOTCHUUAASL-ZBFHGGJFSA-N 1 0 376.884 4.449 20 0 GIADRO Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1cccnc1C ZINC000453455151 822366756 /nfs/dbraw/zinc/36/67/56/822366756.db2.gz UKNDKKXZRRWWCR-RDJZCZTQSA-N 1 0 394.544 4.424 20 0 GIADRO CC(C)(C)Sc1cc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)ccn1 ZINC000182788243 822367549 /nfs/dbraw/zinc/36/75/49/822367549.db2.gz LHPRXPWJSSAKMX-UHFFFAOYSA-N 1 0 384.549 4.014 20 0 GIADRO Cc1nc([C@@H](C)N2CC[NH+](C[C@@H]3CCOC3)CC2)oc1-c1ccc(Cl)cc1 ZINC000178333873 822368236 /nfs/dbraw/zinc/36/82/36/822368236.db2.gz AIFCVOUFXIIARF-SJORKVTESA-N 1 0 389.927 4.019 20 0 GIADRO Cc1nc([C@H](C)N2CC[NH+](C[C@@H]3CCOC3)CC2)oc1-c1ccc(Cl)cc1 ZINC000178333888 822368377 /nfs/dbraw/zinc/36/83/77/822368377.db2.gz AIFCVOUFXIIARF-IRXDYDNUSA-N 1 0 389.927 4.019 20 0 GIADRO Cc1cc([C@H]2CCCN2C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)no1 ZINC000045186909 822368700 /nfs/dbraw/zinc/36/87/00/822368700.db2.gz CXFXPIZMZHQQQD-OAQYLSRUSA-N 1 0 382.508 4.016 20 0 GIADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)c2sccc2C)cc1 ZINC000178340029 822368903 /nfs/dbraw/zinc/36/89/03/822368903.db2.gz BJDKMUIKJYDGJB-JKSUJKDBSA-N 1 0 380.579 4.499 20 0 GIADRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)c2sccc2C)cc1 ZINC000178340019 822368924 /nfs/dbraw/zinc/36/89/24/822368924.db2.gz BJDKMUIKJYDGJB-HZPDHXFCSA-N 1 0 380.579 4.499 20 0 GIADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@H]2CCc3cc(F)ccc32)cc1 ZINC000178339683 822369057 /nfs/dbraw/zinc/36/90/57/822369057.db2.gz UJWBMLPYALHZEH-BTYIYWSLSA-N 1 0 390.524 4.194 20 0 GIADRO Cc1nc2c(s1)[C@H]([NH2+]CCC(=O)Nc1ccc(Br)cc1)CCC2 ZINC000178353810 822370772 /nfs/dbraw/zinc/37/07/72/822370772.db2.gz NZYGOOAYZHRTTD-CQSZACIVSA-N 1 0 394.338 4.210 20 0 GIADRO CC[NH+](CC)[C@@H](CNc1nccn(C2CC2)c1=O)c1ccc(C(F)(F)F)cc1 ZINC000182806380 822370794 /nfs/dbraw/zinc/37/07/94/822370794.db2.gz ATDFUSJNKOYQAP-KRWDZBQOSA-N 1 0 394.441 4.092 20 0 GIADRO CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@@H](CO)Cc2ccc(C)c(C)c2)cc1 ZINC000453469209 822371419 /nfs/dbraw/zinc/37/14/19/822371419.db2.gz ZXWMEUQKTSUAIM-WMZHIEFXSA-N 1 0 397.563 4.431 20 0 GIADRO CC(C)Sc1ccc([C@@H](C)[NH2+]Cc2cccc([C@]3(C)NC(=O)NC3=O)c2)cc1 ZINC000178381827 822373441 /nfs/dbraw/zinc/37/34/41/822373441.db2.gz JSROTWAARYZZPZ-QRQCRPRQSA-N 1 0 397.544 4.093 20 0 GIADRO C[C@@H](CC(=O)NCc1ccc(OCc2cccc(F)c2)cc1)[C@H]1CCC[NH2+]C1 ZINC000178389818 822374359 /nfs/dbraw/zinc/37/43/59/822374359.db2.gz FQEWQAMIMJBEMC-PXNSSMCTSA-N 1 0 384.495 4.047 20 0 GIADRO COCCC[C@H]([NH2+]Cc1ccc(OC)c(O)c1)c1ccc(Br)cc1 ZINC000178409193 822376567 /nfs/dbraw/zinc/37/65/67/822376567.db2.gz ODFRVKGAIIAALI-KRWDZBQOSA-N 1 0 394.309 4.421 20 0 GIADRO COc1ccc(C[NH2+][C@H]2CCCOc3cc(Br)ccc32)cc1O ZINC000178410983 822376816 /nfs/dbraw/zinc/37/68/16/822376816.db2.gz BKOMKLWGARCRLU-HNNXBMFYSA-N 1 0 378.266 4.167 20 0 GIADRO CCOc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(OC)c(Br)c1)CCO2 ZINC000178423062 822377811 /nfs/dbraw/zinc/37/78/11/822377811.db2.gz ADGPSPVTGQYSAF-QGZVFWFLSA-N 1 0 392.293 4.470 20 0 GIADRO CC(C)Cn1c(C2CCC2)nnc1N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000453492307 822378227 /nfs/dbraw/zinc/37/82/27/822378227.db2.gz QKFQULROJZWILJ-UHFFFAOYSA-N 1 0 387.494 4.055 20 0 GIADRO C[C@@H](NC(=O)N(C)Cc1ccc(F)cc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182850080 822378399 /nfs/dbraw/zinc/37/83/99/822378399.db2.gz IMFXPWKMOADCHG-CABCVRRESA-N 1 0 381.923 4.274 20 0 GIADRO C[C@H]([NH2+]CCNC(=O)c1ccc(Br)cc1)c1ccc2ccccc2n1 ZINC000178441050 822379296 /nfs/dbraw/zinc/37/92/96/822379296.db2.gz KEIQNUUGNFENNH-AWEZNQCLSA-N 1 0 398.304 4.078 20 0 GIADRO COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@H](C)c3ccc4ccccc4n3)C2)c1 ZINC000178443801 822379500 /nfs/dbraw/zinc/37/95/00/822379500.db2.gz LYKKZBPBWKDKQW-QZTJIDSGSA-N 1 0 391.515 4.429 20 0 GIADRO COc1cc(OC)c([C@H](C)[NH2+]Cc2ccc(N3CCCC3=O)cc2)cc1Cl ZINC000178445965 822379740 /nfs/dbraw/zinc/37/97/40/822379740.db2.gz OFKVKZZIQYCJAR-AWEZNQCLSA-N 1 0 388.895 4.335 20 0 GIADRO CC(C)n1ncc2ccc(NC(=O)N3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cc21 ZINC000178449289 822380093 /nfs/dbraw/zinc/38/00/93/822380093.db2.gz QAEKPWOKTXAKPD-FXAWDEMLSA-N 1 0 381.524 4.098 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)c2cc3ccc(F)cc3nc2C)cc1 ZINC000045351002 822380631 /nfs/dbraw/zinc/38/06/31/822380631.db2.gz ULPDAJBQJVHPAM-UHFFFAOYSA-N 1 0 379.479 4.454 20 0 GIADRO Cc1c([C@H](C)[NH2+]CCC(=O)Nc2ccccc2C)cnn1-c1ccc(F)cc1 ZINC000182866613 822382015 /nfs/dbraw/zinc/38/20/15/822382015.db2.gz AGMBPPNYFPTXTJ-INIZCTEOSA-N 1 0 380.467 4.308 20 0 GIADRO COC(=O)c1[nH]c(C)c(C(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)c1C ZINC000178469127 822382438 /nfs/dbraw/zinc/38/24/38/822382438.db2.gz YXMURAUVYVVEML-UHFFFAOYSA-N 1 0 383.492 4.046 20 0 GIADRO C[C@H](NC(=O)c1ccccc1C(=O)c1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182874124 822383738 /nfs/dbraw/zinc/38/37/38/822383738.db2.gz UIUVXCPIIXHVFH-ICSRJNTNSA-N 1 0 390.527 4.300 20 0 GIADRO CCC[C@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(OC)cc1 ZINC000178487515 822384477 /nfs/dbraw/zinc/38/44/77/822384477.db2.gz TYWMXSMGJDJXRM-IERDGZPVSA-N 1 0 390.549 4.138 20 0 GIADRO Cc1cc(Br)c(C[NH+]2CCC(C(=O)N3CCC[C@H](C)C3)CC2)s1 ZINC000453564728 822385184 /nfs/dbraw/zinc/38/51/84/822385184.db2.gz PFQDQUDSASZLFP-ZDUSSCGKSA-N 1 0 399.398 4.290 20 0 GIADRO O[C@H](COCc1cccs1)C[N@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000178508758 822386428 /nfs/dbraw/zinc/38/64/28/822386428.db2.gz HAKQTWJZTOELFP-KRWDZBQOSA-N 1 0 386.492 4.035 20 0 GIADRO Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1ccccc1-c1ccc(Cn2cccn2)cc1 ZINC000178511805 822386508 /nfs/dbraw/zinc/38/65/08/822386508.db2.gz HMVZVGYBILHUKQ-GOSISDBHSA-N 1 0 385.515 4.491 20 0 GIADRO CCOc1c(Br)cc(C[NH2+]C[C@@H]2CCOC(C)(C)C2)cc1OC ZINC000453575151 822386558 /nfs/dbraw/zinc/38/65/58/822386558.db2.gz CTLOKNSDIOALTE-CYBMUJFWSA-N 1 0 386.330 4.151 20 0 GIADRO Fc1ccc(N2CC[C@@H]([NH2+]Cc3cnc(-c4ccncc4)s3)C2)cc1Cl ZINC000453576548 822387039 /nfs/dbraw/zinc/38/70/39/822387039.db2.gz VRJSNAZZQZXCAY-CQSZACIVSA-N 1 0 388.899 4.366 20 0 GIADRO COc1sc(C[NH2+][C@@H](c2cccs2)C(C)(C)CO)cc1Br ZINC000453580226 822387767 /nfs/dbraw/zinc/38/77/67/822387767.db2.gz STVXRTGPNLUDEY-ZDUSSCGKSA-N 1 0 390.368 4.430 20 0 GIADRO FC(F)(F)Oc1ccc2c(c1)[C@H]([NH2+]CCCc1nnc3n1CCCCC3)CC2 ZINC000178529289 822388275 /nfs/dbraw/zinc/38/82/75/822388275.db2.gz UAQGYJVMGMPIPW-QGZVFWFLSA-N 1 0 394.441 4.113 20 0 GIADRO Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000178530255 822388543 /nfs/dbraw/zinc/38/85/43/822388543.db2.gz UMFNUCITTPABCM-RDJZCZTQSA-N 1 0 389.952 4.328 20 0 GIADRO C[C@H](NC(=O)c1ccc(C(F)(F)F)nc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182898584 822388630 /nfs/dbraw/zinc/38/86/30/822388630.db2.gz KOLSFXPRERSZPR-NWDGAFQWSA-N 1 0 389.849 4.137 20 0 GIADRO CC(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)CC1 ZINC000045462617 822388832 /nfs/dbraw/zinc/38/88/32/822388832.db2.gz FKZCWYWKUDNTHO-GOSISDBHSA-N 1 0 386.565 4.263 20 0 GIADRO Cc1ccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c(C)n1 ZINC000178533450 822389010 /nfs/dbraw/zinc/38/90/10/822389010.db2.gz QBJSRLJSMDSYLM-UNMCSNQZSA-N 1 0 378.520 4.217 20 0 GIADRO Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000178536590 822389141 /nfs/dbraw/zinc/38/91/41/822389141.db2.gz NIUHGDQJUHLUFL-DOTOQJQBSA-N 1 0 389.952 4.328 20 0 GIADRO COc1cc(C[NH2+]Cc2sc(C)cc2Br)cc(OC)c1OC ZINC000453589333 822389522 /nfs/dbraw/zinc/38/95/22/822389522.db2.gz WMFMQFGWYROAQF-UHFFFAOYSA-N 1 0 386.311 4.135 20 0 GIADRO Cc1cc(Br)c(CN2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)s1 ZINC000453590150 822389700 /nfs/dbraw/zinc/38/97/00/822389700.db2.gz GQJHWHWHNKQTEH-MRXNPFEDSA-N 1 0 394.382 4.168 20 0 GIADRO C[C@H](NC(=O)N(C)Cc1ccccc1N1CCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182910906 822391094 /nfs/dbraw/zinc/39/10/94/822391094.db2.gz UATHESBAWBUUCB-PMACEKPBSA-N 1 0 398.595 4.081 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc([C@H](C)O)cc1)c1ccc(I)cc1 ZINC000178554774 822391617 /nfs/dbraw/zinc/39/16/17/822391617.db2.gz JSCUWUBODSNJQZ-OLZOCXBDSA-N 1 0 381.257 4.195 20 0 GIADRO COc1cc(C[NH2+]CCc2ccc(C)cn2)cc(OC)c1OCc1ccccc1 ZINC000453606246 822391997 /nfs/dbraw/zinc/39/19/97/822391997.db2.gz VLVOKEAXLYPHTQ-UHFFFAOYSA-N 1 0 392.499 4.319 20 0 GIADRO Cc1cc(C)n(-c2ccccc2NC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC000182916094 822392076 /nfs/dbraw/zinc/39/20/76/822392076.db2.gz RRUQNRLJCTYXKJ-MOPGFXCFSA-N 1 0 395.551 4.264 20 0 GIADRO OCc1ccc(C[NH2+][C@H]2CCSc3ccc(Br)cc32)cc1F ZINC000178564362 822392214 /nfs/dbraw/zinc/39/22/14/822392214.db2.gz RCACHSPHOKZADQ-INIZCTEOSA-N 1 0 382.298 4.407 20 0 GIADRO CON1CCC([N@H+](C)Cc2csc(-c3cccc(Br)c3)n2)CC1 ZINC000453608771 822392365 /nfs/dbraw/zinc/39/23/65/822392365.db2.gz URIUBVOSPGLHNI-UHFFFAOYSA-N 1 0 396.354 4.030 20 0 GIADRO COc1ccc(C[C@@H]([NH2+][C@@H]2c3ccccc3C[C@@H]2O)c2ccc(OC)cc2)cc1 ZINC000178570329 822392697 /nfs/dbraw/zinc/39/26/97/822392697.db2.gz QLKLBRDKXGDXRI-DSNGMDLFSA-N 1 0 389.495 4.236 20 0 GIADRO C[C@@H](c1ccccc1Cl)N(C)C(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000453612315 822393164 /nfs/dbraw/zinc/39/31/64/822393164.db2.gz JCWLAQKLWLKVST-XOBRGWDASA-N 1 0 399.922 4.047 20 0 GIADRO COC(=O)[C@H](C)Oc1ccc(C[NH2+][C@H](c2ccccc2)C2(CO)CCCC2)cc1 ZINC000453616336 822393550 /nfs/dbraw/zinc/39/35/50/822393550.db2.gz NQXLYTZWIJJBDP-PGRDOPGGSA-N 1 0 397.515 4.011 20 0 GIADRO CC(=O)Nc1cccc(-n2c(SCC[C@H]3CCCC[N@H+]3C)nnc2C2CC2)c1 ZINC000045537266 822394514 /nfs/dbraw/zinc/39/45/14/822394514.db2.gz GAZHPUZDFWMXEN-GOSISDBHSA-N 1 0 399.564 4.070 20 0 GIADRO C[C@H](NC(=O)NC[C@H](c1ccsc1)[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000045541208 822394584 /nfs/dbraw/zinc/39/45/84/822394584.db2.gz SHUALGOUSFKFDW-BLLLJJGKSA-N 1 0 385.455 4.430 20 0 GIADRO COc1ccc([C@@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c2ccccc2)cc1 ZINC000045545440 822394937 /nfs/dbraw/zinc/39/49/37/822394937.db2.gz XOHUCBNNVAFZEG-NRFANRHFSA-N 1 0 395.547 4.393 20 0 GIADRO Cc1ncc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c(C(C)C)n1 ZINC000178600415 822395266 /nfs/dbraw/zinc/39/52/66/822395266.db2.gz IOOFHDOVFOYLAA-UNMCSNQZSA-N 1 0 392.547 4.035 20 0 GIADRO C[C@@](O)(C[NH2+][C@@H]1CCCOc2ccc(Br)cc21)c1cccs1 ZINC000178605357 822395835 /nfs/dbraw/zinc/39/58/35/822395835.db2.gz JMVXQHYSICGVBF-RHSMWYFYSA-N 1 0 382.323 4.222 20 0 GIADRO COc1cccc([C@@H](O)C[N@H+](Cc2ccccc2)Cc2ccnc(Cl)c2)c1 ZINC000178614511 822396217 /nfs/dbraw/zinc/39/62/17/822396217.db2.gz VQPNLVZZRAECSK-NRFANRHFSA-N 1 0 382.891 4.479 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1ccc2ccccc2n1 ZINC000178615356 822396550 /nfs/dbraw/zinc/39/65/50/822396550.db2.gz HVFMHCDWUFERHQ-ZHRRBRCNSA-N 1 0 375.472 4.203 20 0 GIADRO CC[C@H](c1ccccc1)N(CC)C(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000453639219 822396901 /nfs/dbraw/zinc/39/69/01/822396901.db2.gz OGDLZQVBIPNDHC-YADHBBJMSA-N 1 0 393.531 4.174 20 0 GIADRO CC(=O)Nc1ccc(CC[NH2+][C@@H](C)c2cc(Br)ccc2F)cc1 ZINC000178629150 822397660 /nfs/dbraw/zinc/39/76/60/822397660.db2.gz BVBSAMMUIBPHFQ-LBPRGKRZSA-N 1 0 379.273 4.440 20 0 GIADRO Cc1nc(C)c([C@@H](C)[NH2+]C[C@@H](O)COc2cccc(Cl)c2Cl)s1 ZINC000178640661 822398659 /nfs/dbraw/zinc/39/86/59/822398659.db2.gz PZBIYIVWOVOMTB-BXKDBHETSA-N 1 0 375.321 4.157 20 0 GIADRO CSc1nnc(CCC[NH2+][C@@H]2CCCc3cc(F)ccc32)n1CC(C)C ZINC000182964816 822400750 /nfs/dbraw/zinc/40/07/50/822400750.db2.gz GLVMBHACAXBURP-GOSISDBHSA-N 1 0 376.545 4.395 20 0 GIADRO CC[C@@H]([NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1nccn1C ZINC000182966466 822401084 /nfs/dbraw/zinc/40/10/84/822401084.db2.gz GRAAVXKVYNUELR-GOSISDBHSA-N 1 0 381.351 4.432 20 0 GIADRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3cc4ccccc4c(Cl)n3)C2)CC1 ZINC000178665864 822401094 /nfs/dbraw/zinc/40/10/94/822401094.db2.gz MPOIWQYYHATDBQ-KRWDZBQOSA-N 1 0 385.939 4.472 20 0 GIADRO COc1cc2c(cc1OC)C[N@H+](Cc1ccccc1N[C@@H](C)[C@@H]1CCOC1)CC2 ZINC000182968927 822401618 /nfs/dbraw/zinc/40/16/18/822401618.db2.gz JDHXOZZCGKKLIJ-FXAWDEMLSA-N 1 0 396.531 4.099 20 0 GIADRO CN(Cc1cccc(Cl)c1Cl)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000045658529 822403143 /nfs/dbraw/zinc/40/31/43/822403143.db2.gz AUGSBIKFPNYNGC-OAHLLOKOSA-N 1 0 386.348 4.499 20 0 GIADRO 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 822405611 /nfs/dbraw/zinc/40/56/11/822405611.db2.gz LYVXGAKZIORXNY-KEYYUXOJSA-N 1 0 387.446 4.018 20 0 GIADRO CCOc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1ccc(N3CCCC3=O)cc1)CCO2 ZINC000178722376 822405743 /nfs/dbraw/zinc/40/57/43/822405743.db2.gz HTAFMNLPVJBBRX-KKSFZXQISA-N 1 0 380.488 4.387 20 0 GIADRO Cc1ccc(C[N@H+](C)CCC(=O)Nc2ccc(Br)cc2F)cc1 ZINC000045697090 822406086 /nfs/dbraw/zinc/40/60/86/822406086.db2.gz RTIJKXPQGLFTSN-UHFFFAOYSA-N 1 0 379.273 4.357 20 0 GIADRO O=C(c1ccccc1)N1CCC([NH2+]Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000178781833 822409356 /nfs/dbraw/zinc/40/93/56/822409356.db2.gz DSQATFXIENDBEX-UHFFFAOYSA-N 1 0 380.385 4.239 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1C[C@@H](C)C[C@@H]1c1cccnc1 ZINC000183010894 822410845 /nfs/dbraw/zinc/41/08/45/822410845.db2.gz HWMFCNXYQDOSDA-PGRDOPGGSA-N 1 0 380.536 4.215 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1C[C@@H](C)C[C@H]1c1cccnc1 ZINC000183010938 822410894 /nfs/dbraw/zinc/41/08/94/822410894.db2.gz HWMFCNXYQDOSDA-AVRDEDQJSA-N 1 0 380.536 4.215 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)N(C)Cc2cccc(Cl)c2)CC1 ZINC000045758559 822411033 /nfs/dbraw/zinc/41/10/33/822411033.db2.gz AZRRETSGORVKRR-UHFFFAOYSA-N 1 0 385.939 4.454 20 0 GIADRO Cc1c([C@@H](C)[NH2+][C@H](C)c2ccc(OC[C@@H]3CCCCO3)c(F)c2)cnn1C ZINC000178800342 822411315 /nfs/dbraw/zinc/41/13/15/822411315.db2.gz LLMQMDCDSROCDQ-RKVPGOIHSA-N 1 0 375.488 4.227 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(CO)c(F)c1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000178801125 822411592 /nfs/dbraw/zinc/41/15/92/822411592.db2.gz TVJQIADJHYJOFK-BEFAXECRSA-N 1 0 391.458 4.256 20 0 GIADRO C[N@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)Cc1ccc([S@@](C)=O)cc1 ZINC000178805049 822412243 /nfs/dbraw/zinc/41/22/43/822412243.db2.gz ACTWIMJURGFIFA-RUZDIDTESA-N 1 0 399.343 4.191 20 0 GIADRO COc1ccccc1CN(C)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000045780411 822412992 /nfs/dbraw/zinc/41/29/92/822412992.db2.gz PMHNPRNMHZTOFV-LJQANCHMSA-N 1 0 395.547 4.411 20 0 GIADRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)CCCN(C)C(=O)OC(C)(C)C ZINC000178820537 822413638 /nfs/dbraw/zinc/41/36/38/822413638.db2.gz HKJCYPAMBVUNHE-UHFFFAOYSA-N 1 0 389.540 4.176 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCC[C@@H]3c3ccncc3)cc2)C1 ZINC000045787785 822413767 /nfs/dbraw/zinc/41/37/67/822413767.db2.gz HMWGGOSBORHQLI-AUSIDOKSSA-N 1 0 392.547 4.360 20 0 GIADRO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000045793904 822414318 /nfs/dbraw/zinc/41/43/18/822414318.db2.gz UEJNVXMSUIXCCO-KRWDZBQOSA-N 1 0 395.503 4.276 20 0 GIADRO Cn1cc(C[N@@H+]2CCC[C@@H](CNC(=O)c3ccccc3)C2)c(C2CCCCC2)n1 ZINC000183032066 822414591 /nfs/dbraw/zinc/41/45/91/822414591.db2.gz JSLUMUDRWIDSQX-IBGZPJMESA-N 1 0 394.563 4.110 20 0 GIADRO Cc1cc(C)cc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)c1 ZINC000045812876 822415606 /nfs/dbraw/zinc/41/56/06/822415606.db2.gz JFINNMIMMSRUAO-IAGOWNOFSA-N 1 0 379.504 4.330 20 0 GIADRO Cc1ccccc1CN(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000045813151 822415729 /nfs/dbraw/zinc/41/57/29/822415729.db2.gz TXYZWRGVKUDCCN-QZTJIDSGSA-N 1 0 393.531 4.041 20 0 GIADRO CC(C)=CCC[C@@H](C)NC(=O)C(=O)Nc1cccc2c1C[N@@H+]([C@@H](C)C(C)C)C2 ZINC000453842975 822415789 /nfs/dbraw/zinc/41/57/89/822415789.db2.gz AUPPXDVMTGOHOC-MSOLQXFVSA-N 1 0 385.552 4.236 20 0 GIADRO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000045813261 822415880 /nfs/dbraw/zinc/41/58/80/822415880.db2.gz XRIULTFUUOXJFF-BZSNNMDCSA-N 1 0 393.531 4.260 20 0 GIADRO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)c(F)c1 ZINC000045813286 822415895 /nfs/dbraw/zinc/41/58/95/822415895.db2.gz SHHGMQFVEURCMA-LSDHHAIUSA-N 1 0 383.467 4.160 20 0 GIADRO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1 ZINC000183048338 822417209 /nfs/dbraw/zinc/41/72/09/822417209.db2.gz XQLPYOADVVSINX-SELNLUPBSA-N 1 0 391.559 4.349 20 0 GIADRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000183047646 822417214 /nfs/dbraw/zinc/41/72/14/822417214.db2.gz LLMPWHZQSCOZQZ-FBMGVBCBSA-N 1 0 393.487 4.121 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1ccccc1NC(=O)c1cccs1)c1cccs1 ZINC000045853718 822419094 /nfs/dbraw/zinc/41/90/94/822419094.db2.gz RKRLRSWMKXROHD-MRXNPFEDSA-N 1 0 399.541 4.095 20 0 GIADRO CCCN(C(=O)c1ccc(COc2ccc3ccccc3c2)o1)[C@@H]1CC[NH2+]C1 ZINC000178887970 822419201 /nfs/dbraw/zinc/41/92/01/822419201.db2.gz TWPDHZDGUMGHJF-LJQANCHMSA-N 1 0 378.472 4.226 20 0 GIADRO CCOc1ccc([C@H](C)NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1OCC ZINC000045859744 822419352 /nfs/dbraw/zinc/41/93/52/822419352.db2.gz KEKYSTIVWFYPQG-HNNXBMFYSA-N 1 0 391.556 4.153 20 0 GIADRO C[C@H](c1ccc(F)cc1)N(C)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000178888179 822419464 /nfs/dbraw/zinc/41/94/64/822419464.db2.gz SLHHQHBORPBDLZ-SJORKVTESA-N 1 0 384.499 4.149 20 0 GIADRO CCc1ccc(NC(=O)C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)cc1Cl ZINC000453941522 822419856 /nfs/dbraw/zinc/41/98/56/822419856.db2.gz HRRYZMJJQHVQMY-IBGZPJMESA-N 1 0 385.895 4.029 20 0 GIADRO CC[C@H](Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccc2c(c1)OCCO2 ZINC000183078652 822421874 /nfs/dbraw/zinc/42/18/74/822421874.db2.gz BCEZCLYWAUTPPZ-QFIPXVFZSA-N 1 0 396.531 4.225 20 0 GIADRO CC(C)c1cccc(C(C)C)c1NC(=O)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000454002081 822421980 /nfs/dbraw/zinc/42/19/80/822421980.db2.gz DATFLIAVYLOXMB-UHFFFAOYSA-N 1 0 385.552 4.005 20 0 GIADRO COc1ccc2c(c1)[C@@H](Nc1cccc(C[NH+]3CCC(CO)CC3)c1)CCCO2 ZINC000183081858 822422249 /nfs/dbraw/zinc/42/22/49/822422249.db2.gz WGLDLBXDZWTKJA-QHCPKHFHSA-N 1 0 396.531 4.225 20 0 GIADRO C[S@](=O)C[C@@H]([NH2+]Cc1c(-c2ccccc2)nc2ccccn21)c1ccccc1 ZINC000183085096 822422880 /nfs/dbraw/zinc/42/28/80/822422880.db2.gz ZOZUJHYWZZKJMQ-NGOKVRLYSA-N 1 0 389.524 4.211 20 0 GIADRO O=C(NCC[C@H]1CC[NH2+]C1)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1 ZINC000178939254 822423282 /nfs/dbraw/zinc/42/32/82/822423282.db2.gz FWFSPGXYOZCHBK-CYBMUJFWSA-N 1 0 380.385 4.241 20 0 GIADRO Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1cccc(N3CCCS3(=O)=O)c1)CCC2 ZINC000178952299 822424272 /nfs/dbraw/zinc/42/42/72/822424272.db2.gz IROSNDKCUALEJB-VGOFRKELSA-N 1 0 384.545 4.263 20 0 GIADRO C[C@@H](NCc1csc(-c2ccc3c(c2)OCO3)n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183104201 822424892 /nfs/dbraw/zinc/42/48/92/822424892.db2.gz MPGQOOMIHNDULT-NVXWUHKLSA-N 1 0 399.560 4.281 20 0 GIADRO CC[NH+](CC)CCOc1ccc(NC(=O)N2CCc3c(cccc3OC)C2)cc1 ZINC000183116255 822426437 /nfs/dbraw/zinc/42/64/37/822426437.db2.gz NGSVKZJQOCYZBP-UHFFFAOYSA-N 1 0 397.519 4.006 20 0 GIADRO COc1ccc(C[NH+]2CCC(C(=O)NCc3ccc(F)cc3)CC2)cc1Cl ZINC000179000255 822428130 /nfs/dbraw/zinc/42/81/30/822428130.db2.gz UPKUHTMHXUISRI-UHFFFAOYSA-N 1 0 390.886 4.016 20 0 GIADRO CCc1ccc(CNC(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2C)s1 ZINC000045976252 822428568 /nfs/dbraw/zinc/42/85/68/822428568.db2.gz FFXSXUVYCDJJJW-UHFFFAOYSA-N 1 0 386.565 4.083 20 0 GIADRO CCCOCc1ccccc1CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000045979520 822428958 /nfs/dbraw/zinc/42/89/58/822428958.db2.gz QKTZHZPUNZTQMY-UHFFFAOYSA-N 1 0 395.547 4.208 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)cc1 ZINC000045980069 822429173 /nfs/dbraw/zinc/42/91/73/822429173.db2.gz HELHMXLZPKUKDP-QGZVFWFLSA-N 1 0 394.519 4.341 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(C)cc1Br)c1ccco1 ZINC000179013853 822430138 /nfs/dbraw/zinc/43/01/38/822430138.db2.gz PZNMKFFWRZWYLK-INIZCTEOSA-N 1 0 379.298 4.163 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(F)cc2F)cc1 ZINC000183142856 822430215 /nfs/dbraw/zinc/43/02/15/822430215.db2.gz CGNHUODZRSNYCA-KBPBESRZSA-N 1 0 384.430 4.137 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)NCCc2nc3ccccc3s2)c1 ZINC000045986366 822430575 /nfs/dbraw/zinc/43/05/75/822430575.db2.gz SVPVHUCQHBFLIV-UHFFFAOYSA-N 1 0 396.560 4.180 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)N(C)Cc2ccc(F)c(F)c2)c1 ZINC000045987026 822430740 /nfs/dbraw/zinc/43/07/40/822430740.db2.gz SYTWWZFZZFOEAR-UHFFFAOYSA-N 1 0 375.463 4.148 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)Nc2ccc(NC(=O)OC)cc2)c1 ZINC000045986867 822430765 /nfs/dbraw/zinc/43/07/65/822430765.db2.gz HUVADPXTTFCIHG-UHFFFAOYSA-N 1 0 384.480 4.028 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)Nc2ccc(C)c(NC(C)=O)c2)c1 ZINC000045986852 822430777 /nfs/dbraw/zinc/43/07/77/822430777.db2.gz GXAJSUUJUPVVTF-UHFFFAOYSA-N 1 0 382.508 4.117 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(F)cc2Cl)cc1 ZINC000183148182 822431262 /nfs/dbraw/zinc/43/12/62/822431262.db2.gz HXYWZWFAFLQHRM-ZDUSSCGKSA-N 1 0 386.858 4.263 20 0 GIADRO c1cn(CC2CC[NH+](Cc3cn(-c4ccccc4)nc3-c3ccccc3)CC2)nn1 ZINC000179029798 822431375 /nfs/dbraw/zinc/43/13/75/822431375.db2.gz DVNLDKMQEWXQKF-UHFFFAOYSA-N 1 0 398.514 4.043 20 0 GIADRO COc1cc(C[NH2+]Cc2cccc(N(C)C)n2)ccc1OCc1ccccc1 ZINC000179030788 822431563 /nfs/dbraw/zinc/43/15/63/822431563.db2.gz VJTHJWNJJZCWMF-UHFFFAOYSA-N 1 0 377.488 4.025 20 0 GIADRO CCOc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000183156916 822432857 /nfs/dbraw/zinc/43/28/57/822432857.db2.gz LQZNKXJMEPLULT-SJORKVTESA-N 1 0 392.503 4.257 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N[C@H]1CCCC[C@H]1CC(F)(F)F ZINC000454143810 822433076 /nfs/dbraw/zinc/43/30/76/822433076.db2.gz GBQCKWPUTMCNGV-JYJNAYRXSA-N 1 0 387.446 4.227 20 0 GIADRO CC[NH+]1CCN(CC(C)(C)NC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000454152853 822433463 /nfs/dbraw/zinc/43/34/63/822433463.db2.gz DYAZRIKUDWXTTP-UHFFFAOYSA-N 1 0 396.535 4.017 20 0 GIADRO O=C(c1ccc(Cl)cc1)N1CCC[N@H+](Cc2cccc3cnccc32)CC1 ZINC000183163948 822433963 /nfs/dbraw/zinc/43/39/63/822433963.db2.gz UXRVPZHUCGZKJO-UHFFFAOYSA-N 1 0 379.891 4.236 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccccc1Cl)c1ccccc1-n1cccn1 ZINC000183171913 822435268 /nfs/dbraw/zinc/43/52/68/822435268.db2.gz ZLYSRDWDHPWJKT-CVEARBPZSA-N 1 0 382.895 4.054 20 0 GIADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2nc3cc(Cl)ccc3s2)C1 ZINC000454170783 822435324 /nfs/dbraw/zinc/43/53/24/822435324.db2.gz YFFIRTNNSNPWNA-VNHYZAJKSA-N 1 0 377.941 4.427 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[C@H](C(F)(F)F)C[C@@H]2C)cc1 ZINC000454174730 822435719 /nfs/dbraw/zinc/43/57/19/822435719.db2.gz WWHYGRJMTDDBMW-YJBOKZPZSA-N 1 0 385.474 4.401 20 0 GIADRO COCc1ccccc1NC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000046031366 822437087 /nfs/dbraw/zinc/43/70/87/822437087.db2.gz JCRLJLZIDKQFCS-SFHVURJKSA-N 1 0 381.520 4.387 20 0 GIADRO C[C@H](CC(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1ccc(F)cc1F ZINC000179109643 822439049 /nfs/dbraw/zinc/43/90/49/822439049.db2.gz FNKKKAOGAMOZOZ-QGZVFWFLSA-N 1 0 386.486 4.282 20 0 GIADRO CC(C)Oc1ccc([C@H](C)NC(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc1 ZINC000046065564 822439127 /nfs/dbraw/zinc/43/91/27/822439127.db2.gz HEEMAWSHQYZKTH-HNAYVOBHSA-N 1 0 375.538 4.198 20 0 GIADRO CC[C@@H]([NH2+][C@H](C)c1ccc(Cl)nc1)c1ccccc1OCC(=O)N(C)C ZINC000179108883 822439163 /nfs/dbraw/zinc/43/91/63/822439163.db2.gz IWOGMJYHHGCSLY-RHSMWYFYSA-N 1 0 375.900 4.004 20 0 GIADRO O=C(NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1)N1CC[C@@H](F)C1 ZINC000454228417 822441011 /nfs/dbraw/zinc/44/10/11/822441011.db2.gz NMFYLAITEQTTDE-OAQYLSRUSA-N 1 0 381.495 4.203 20 0 GIADRO C[NH2+]C1CCN(C(=O)CS[C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000179133079 822441497 /nfs/dbraw/zinc/44/14/97/822441497.db2.gz HBOVVMURFKPENJ-OAQYLSRUSA-N 1 0 388.964 4.373 20 0 GIADRO Cc1noc(C)c1CN(C)C(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000046129814 822442946 /nfs/dbraw/zinc/44/29/46/822442946.db2.gz JGXYJGVLDGRCLY-CALCHBBNSA-N 1 0 398.551 4.111 20 0 GIADRO CC(C)Cc1ccc(CCCC(=O)NC2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000179144024 822442948 /nfs/dbraw/zinc/44/29/48/822442948.db2.gz LNXBWRNJJLKGPT-UHFFFAOYSA-N 1 0 393.575 4.384 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)Nc2cccc(OCCF)c2)CC1 ZINC000183220040 822443414 /nfs/dbraw/zinc/44/34/14/822443414.db2.gz GNQKGQIOPJLZIT-UHFFFAOYSA-N 1 0 379.520 4.401 20 0 GIADRO C[C@@H](CC(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1)c1ccc(F)cc1F ZINC000179148821 822443921 /nfs/dbraw/zinc/44/39/21/822443921.db2.gz FMCVQCFHSQIZBO-INIZCTEOSA-N 1 0 387.474 4.239 20 0 GIADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)Nc3ccc(Br)cc3Cl)C2)C1 ZINC000454256079 822444478 /nfs/dbraw/zinc/44/44/78/822444478.db2.gz OVOMJETUFDDMJK-MRXNPFEDSA-N 1 0 386.721 4.052 20 0 GIADRO COc1cccc([C@H]2[C@H](NC(=O)c3ccc(F)cc3Cl)CC[N@@H+]2C2CC2)c1 ZINC000183231751 822445106 /nfs/dbraw/zinc/44/51/06/822445106.db2.gz ASKPIIZVJMSEGQ-UXHICEINSA-N 1 0 388.870 4.196 20 0 GIADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2ccccc2NC(=O)OCc2ccccc2)C1 ZINC000183234080 822445572 /nfs/dbraw/zinc/44/55/72/822445572.db2.gz QRGOCPSNNKMYTI-MOPGFXCFSA-N 1 0 395.503 4.038 20 0 GIADRO Cc1ccccc1[C@H](CC(C)C)[NH2+]CC(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000183237416 822446375 /nfs/dbraw/zinc/44/63/75/822446375.db2.gz PUOGDPWTHMJBOC-NRFANRHFSA-N 1 0 381.520 4.012 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@H]1CCCc2c(F)cccc21 ZINC000454268298 822446767 /nfs/dbraw/zinc/44/67/67/822446767.db2.gz KMIWQQSSVMVQAA-QFIPXVFZSA-N 1 0 396.510 4.085 20 0 GIADRO CCOCc1ccccc1CNC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000046178823 822447292 /nfs/dbraw/zinc/44/72/92/822447292.db2.gz IVMQBKKMXJMKBY-UHFFFAOYSA-N 1 0 387.568 4.021 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(NC(=O)c2ccc(F)cc2)cc1)c1cccc(CO)c1 ZINC000183248882 822448095 /nfs/dbraw/zinc/44/80/95/822448095.db2.gz IYWJXZRLKVKHSR-MRXNPFEDSA-N 1 0 378.447 4.421 20 0 GIADRO C[C@H]([NH2+]C[C@H](c1cccs1)N1CCCC1)c1ncc(Br)s1 ZINC000179189070 822448887 /nfs/dbraw/zinc/44/88/87/822448887.db2.gz JYMSGAZJARQENX-NWDGAFQWSA-N 1 0 386.384 4.455 20 0 GIADRO C[C@@H](NCc1cccc(C[NH+]2CCCC2)c1)c1ncc(Br)s1 ZINC000179198406 822449737 /nfs/dbraw/zinc/44/97/37/822449737.db2.gz CJBSZXBHNNYGKT-CYBMUJFWSA-N 1 0 380.355 4.352 20 0 GIADRO C[C@@H](NC1CC[NH+](CCc2ccccc2)CC1)c1ncc(Br)s1 ZINC000179203291 822450343 /nfs/dbraw/zinc/45/03/43/822450343.db2.gz CZAMZYCVAHERCJ-CQSZACIVSA-N 1 0 394.382 4.263 20 0 GIADRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2cccc(Br)c2Cl)C1 ZINC000183274391 822452192 /nfs/dbraw/zinc/45/21/92/822452192.db2.gz PCESGRTVLHDVIW-ZDUSSCGKSA-N 1 0 387.749 4.344 20 0 GIADRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cnc2ccc(F)cc2c1 ZINC000179217570 822452846 /nfs/dbraw/zinc/45/28/46/822452846.db2.gz KQMVNLDVNXYECF-OAHLLOKOSA-N 1 0 383.492 4.077 20 0 GIADRO CN(C)c1ccncc1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000183302083 822455651 /nfs/dbraw/zinc/45/56/51/822455651.db2.gz OOLJDRROZRYHCL-UHFFFAOYSA-N 1 0 383.499 4.290 20 0 GIADRO C[C@@H](Cc1ccc(Br)cc1)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000179245437 822456686 /nfs/dbraw/zinc/45/66/86/822456686.db2.gz MWBSGXLSEOGFRI-INIZCTEOSA-N 1 0 393.369 4.105 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N[C@@H]2CCO[C@@H](c3cccs3)C2)C1 ZINC000454315643 822457132 /nfs/dbraw/zinc/45/71/32/822457132.db2.gz GXMUSQPMEWAWNY-FCGDIQPGSA-N 1 0 393.597 4.026 20 0 GIADRO C[C@H](C[C@H](O)c1ccco1)[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000179259187 822458269 /nfs/dbraw/zinc/45/82/69/822458269.db2.gz IDSCJBPMIHFTDA-WQVCFCJDSA-N 1 0 380.282 4.358 20 0 GIADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CCc2c3ccccc3[nH]c2C1 ZINC000179259920 822458414 /nfs/dbraw/zinc/45/84/14/822458414.db2.gz JAHMAVHCODTVDH-UHFFFAOYSA-N 1 0 380.536 4.033 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CC(c2ccc(Cl)cc2)C1 ZINC000454333387 822459172 /nfs/dbraw/zinc/45/91/72/822459172.db2.gz ZFVXSROPUUGSPN-UHFFFAOYSA-N 1 0 383.923 4.113 20 0 GIADRO O=C(CN1CCC([NH2+][C@H](c2ccco2)c2ccccc2)CC1)Nc1ccccc1 ZINC000183334714 822460459 /nfs/dbraw/zinc/46/04/59/822460459.db2.gz BLVXMXZPTSYXMN-DEOSSOPVSA-N 1 0 389.499 4.062 20 0 GIADRO CC1(CNC(=O)[C@@H](Sc2ccc(F)cc2F)c2ccccc2)CC[NH2+]CC1 ZINC000183340981 822461288 /nfs/dbraw/zinc/46/12/88/822461288.db2.gz CDMZCXIGHHTIQV-IBGZPJMESA-N 1 0 390.499 4.304 20 0 GIADRO COc1cc(Cl)c(C[NH2+]C2CCN(C(=O)c3ccccc3)CC2)cc1Cl ZINC000179296891 822462389 /nfs/dbraw/zinc/46/23/89/822462389.db2.gz IPIRNKXLSBYORO-UHFFFAOYSA-N 1 0 393.314 4.396 20 0 GIADRO c1c(C[NH2+]CCC(c2ccccc2)c2ccccc2)nnn1Cc1cccnc1 ZINC000183371857 822464980 /nfs/dbraw/zinc/46/49/80/822464980.db2.gz IDAJHVQLPBGSKF-UHFFFAOYSA-N 1 0 383.499 4.033 20 0 GIADRO C[C@H]([NH2+]Cc1nnc(-c2ccc(Br)o2)o1)[C@@H](C)c1ccccc1 ZINC000183371564 822465035 /nfs/dbraw/zinc/46/50/35/822465035.db2.gz PZIRWYAKAYNTGZ-NEPJUHHUSA-N 1 0 376.254 4.374 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000183374257 822465523 /nfs/dbraw/zinc/46/55/23/822465523.db2.gz ZCRZZBHQOYEBHB-SJORKVTESA-N 1 0 376.504 4.209 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)N1CC(C)(CC(F)(F)F)C1 ZINC000454393520 822467912 /nfs/dbraw/zinc/46/79/12/822467912.db2.gz YBZRXOIPCLSDQB-UHFFFAOYSA-N 1 0 387.446 4.213 20 0 GIADRO Cc1cnc2c(c1)N(C(=O)c1cccc(C[N@H+](C)Cc3ccccc3)c1)CCO2 ZINC000179343178 822468438 /nfs/dbraw/zinc/46/84/38/822468438.db2.gz QAMDTWDLAJEMPD-UHFFFAOYSA-N 1 0 387.483 4.061 20 0 GIADRO Cc1c2cc(F)ccc2oc1C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000046404315 822470631 /nfs/dbraw/zinc/47/06/31/822470631.db2.gz OHFXHEJANZGDFQ-UHFFFAOYSA-N 1 0 381.451 4.275 20 0 GIADRO CSc1ccc(Cl)c(C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)c1 ZINC000046404364 822470716 /nfs/dbraw/zinc/47/07/16/822470716.db2.gz MORHBRNBQWWRMQ-UHFFFAOYSA-N 1 0 389.952 4.456 20 0 GIADRO CCO[C@H]1CCN(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C[C@@H]1C ZINC000454409928 822471056 /nfs/dbraw/zinc/47/10/56/822471056.db2.gz ONKDHKCSLMUAEE-UGKGYDQZSA-N 1 0 387.568 4.019 20 0 GIADRO CCc1ccccc1NC(=S)NCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000046416687 822471483 /nfs/dbraw/zinc/47/14/83/822471483.db2.gz HJTQSOQUHGMAGD-UHFFFAOYSA-N 1 0 396.604 4.056 20 0 GIADRO Cc1cccc(N2CC[NH+](CCCNC(=S)Nc3ccc(C)c(C)c3)CC2)c1 ZINC000046416747 822471495 /nfs/dbraw/zinc/47/14/95/822471495.db2.gz GULDINCQMXWYSH-UHFFFAOYSA-N 1 0 396.604 4.111 20 0 GIADRO Cc1cccc(N2CC[NH+](CCCNC(=S)Nc3cc(C)ccc3C)CC2)c1 ZINC000046416732 822471518 /nfs/dbraw/zinc/47/15/18/822471518.db2.gz ARRSEKOLVOTWRK-UHFFFAOYSA-N 1 0 396.604 4.111 20 0 GIADRO FC(F)(F)c1cc(Br)ccc1C[NH2+]Cc1cnn2ccccc12 ZINC000179362626 822471536 /nfs/dbraw/zinc/47/15/36/822471536.db2.gz KROXDMFBHIKTKP-UHFFFAOYSA-N 1 0 384.199 4.405 20 0 GIADRO Fc1cccc([C@H](C[NH2+][C@H](c2ccco2)c2ccccc2)N2CCOCC2)c1 ZINC000183424251 822472772 /nfs/dbraw/zinc/47/27/72/822472772.db2.gz UPJGNLRNWRHSKB-GMAHTHKFSA-N 1 0 380.463 4.171 20 0 GIADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)Nc3ccccc3N3CCc4ccccc43)C2)C1 ZINC000454424210 822473247 /nfs/dbraw/zinc/47/32/47/822473247.db2.gz HIJBDQIJZAJHNM-DEOSSOPVSA-N 1 0 390.531 4.330 20 0 GIADRO COc1ccccc1C[N@H+](CCC(=O)Nc1cc(C)on1)Cc1cccs1 ZINC000046437754 822473303 /nfs/dbraw/zinc/47/33/03/822473303.db2.gz PCMYOLVNOFRTFU-UHFFFAOYSA-N 1 0 385.489 4.084 20 0 GIADRO Cc1occc1CN(C)C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179383213 822474703 /nfs/dbraw/zinc/47/47/03/822474703.db2.gz OOOWCAQHVLLTMW-DNVCBOLYSA-N 1 0 393.890 4.215 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)c1cc2c(cc1Br)OCCO2 ZINC000183458092 822477979 /nfs/dbraw/zinc/47/79/79/822477979.db2.gz RYMQVQDRYOKPAO-NWDGAFQWSA-N 1 0 378.266 4.338 20 0 GIADRO CSCCc1ccc(NC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000183459014 822478114 /nfs/dbraw/zinc/47/81/14/822478114.db2.gz CQHRGGQUUKPSTD-FUHWJXTLSA-N 1 0 375.582 4.367 20 0 GIADRO COc1ccc(C2(C[NH2+][C@@H](C)c3nc4c(s3)CCCC4)CCOCC2)cc1 ZINC000179406749 822478380 /nfs/dbraw/zinc/47/83/80/822478380.db2.gz XNJRFCAEXKLXEH-INIZCTEOSA-N 1 0 386.561 4.430 20 0 GIADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000454454964 822478412 /nfs/dbraw/zinc/47/84/12/822478412.db2.gz XLGWNBOFIQLMER-CYBMUJFWSA-N 1 0 384.351 4.241 20 0 GIADRO C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000454454967 822478504 /nfs/dbraw/zinc/47/85/04/822478504.db2.gz XLGWNBOFIQLMER-ZDUSSCGKSA-N 1 0 384.351 4.241 20 0 GIADRO Cc1cc2ncc([C@@H](C)[NH2+]Cc3ccc(NC(=O)c4ccco4)cc3)c(C)n2n1 ZINC000179411313 822478902 /nfs/dbraw/zinc/47/89/02/822478902.db2.gz CFBAXEPEFMFZAN-OAHLLOKOSA-N 1 0 389.459 4.042 20 0 GIADRO Cc1cc2ncc([C@H](C)[NH2+]CCCC(=O)Nc3ccc(Cl)cc3)c(C)n2n1 ZINC000179412545 822479114 /nfs/dbraw/zinc/47/91/14/822479114.db2.gz MDPQGBBDZDARPD-AWEZNQCLSA-N 1 0 385.899 4.069 20 0 GIADRO Cc1cc2ncc([C@@H](C)[NH2+]CCc3ccc(F)c(Br)c3)c(C)n2n1 ZINC000179414111 822479254 /nfs/dbraw/zinc/47/92/54/822479254.db2.gz BXEMQZQFTJBMFH-GFCCVEGCSA-N 1 0 391.288 4.141 20 0 GIADRO c1nn(Cc2ccccc2)cc1C[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000179414429 822479279 /nfs/dbraw/zinc/47/92/79/822479279.db2.gz PBIVLFRSCZLDGC-UHFFFAOYSA-N 1 0 375.516 4.155 20 0 GIADRO Cc1cc2ncc([C@@H](C)[NH2+][C@@H](C)c3cnn(-c4ccc(F)cc4)c3C)c(C)n2n1 ZINC000179415367 822479533 /nfs/dbraw/zinc/47/95/33/822479533.db2.gz SEKINNROCXFATM-CABCVRRESA-N 1 0 392.482 4.391 20 0 GIADRO C[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+](Cc2cnn(Cc3ccccc3)c2)CC1 ZINC000179426307 822480788 /nfs/dbraw/zinc/48/07/88/822480788.db2.gz ONRJOMJVEJUPON-GOSISDBHSA-N 1 0 398.551 4.057 20 0 GIADRO Cc1cc(F)ccc1[C@@H]1CCCN1C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000454474605 822480980 /nfs/dbraw/zinc/48/09/80/822480980.db2.gz BZZVAPYWDGVTSC-NRFANRHFSA-N 1 0 385.483 4.444 20 0 GIADRO Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000454479754 822482070 /nfs/dbraw/zinc/48/20/70/822482070.db2.gz APMBTLLWFPSATL-UHFFFAOYSA-N 1 0 394.519 4.243 20 0 GIADRO CCC[C@H]([NH2+][C@H](C)c1ccccc1O)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000183480485 822482596 /nfs/dbraw/zinc/48/25/96/822482596.db2.gz PHAWLFDPUFOPKD-UTKZUKDTSA-N 1 0 381.520 4.450 20 0 GIADRO O[C@@H](C[N@H+](Cc1cnn(Cc2ccccc2)c1)Cc1ccccc1)c1ccco1 ZINC000179437872 822482786 /nfs/dbraw/zinc/48/27/86/822482786.db2.gz SMLWKGGZMXTDQH-QHCPKHFHSA-N 1 0 387.483 4.260 20 0 GIADRO Cc1nn(C)c(C)c1CCC[NH2+][C@@H](C)c1cnn(-c2cc(C)ccc2C)c1C ZINC000183482802 822482991 /nfs/dbraw/zinc/48/29/91/822482991.db2.gz WSNUCPZUQQTBSF-KRWDZBQOSA-N 1 0 379.552 4.431 20 0 GIADRO C[C@@H](NC(=O)Nc1cc(Cl)ccc1N(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183486702 822484013 /nfs/dbraw/zinc/48/40/13/822484013.db2.gz WYVABGMJPVOZNZ-HUUCEWRRSA-N 1 0 378.948 4.181 20 0 GIADRO Cc1nn(C)c(C)c1CCC[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000183492076 822485003 /nfs/dbraw/zinc/48/50/03/822485003.db2.gz JIAQWJWYQQPPEM-GOSISDBHSA-N 1 0 392.341 4.236 20 0 GIADRO COCC[C@@H](Cc1cccc(F)c1)[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000179456551 822485882 /nfs/dbraw/zinc/48/58/82/822485882.db2.gz SUFULEPBBLPPNE-FQEVSTJZSA-N 1 0 386.442 4.400 20 0 GIADRO COc1cccc(C[C@@H]([NH2+]C[C@H](C)c2nc(-c3ccccc3)no2)C2CC2)c1 ZINC000179477882 822488082 /nfs/dbraw/zinc/48/80/82/822488082.db2.gz GIJMLHMLLURWTN-HRAATJIYSA-N 1 0 377.488 4.460 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1nc(C)oc1-c1ccccc1 ZINC000183517375 822488822 /nfs/dbraw/zinc/48/88/22/822488822.db2.gz BTEWPJKTAQVUJC-UHFFFAOYSA-N 1 0 377.488 4.374 20 0 GIADRO CCO[C@@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)C[C@@H]1C ZINC000454517046 822489248 /nfs/dbraw/zinc/48/92/48/822489248.db2.gz WDKSHXFIDQKBGZ-SIKLNZKXSA-N 1 0 387.568 4.019 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+][C@@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)s1 ZINC000179494696 822490746 /nfs/dbraw/zinc/49/07/46/822490746.db2.gz HZBOQIWIGZYEEF-BOFPYLFWSA-N 1 0 393.984 4.390 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@@H]2CSc3ccccc32)CC1 ZINC000454522835 822491010 /nfs/dbraw/zinc/49/10/10/822491010.db2.gz RCBQNNVKPSWMPP-IEBWSBKVSA-N 1 0 395.572 4.401 20 0 GIADRO Cc1c(NC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cnn1-c1ccccc1F ZINC000183534628 822491278 /nfs/dbraw/zinc/49/12/78/822491278.db2.gz SKZXMTUKWZAIQC-DOTOQJQBSA-N 1 0 399.514 4.094 20 0 GIADRO Cc1c(NC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cnn1-c1ccccc1F ZINC000183534639 822491284 /nfs/dbraw/zinc/49/12/84/822491284.db2.gz SKZXMTUKWZAIQC-NVXWUHKLSA-N 1 0 399.514 4.094 20 0 GIADRO C/C(=C\c1ccc(Cl)cc1)C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000179499870 822492128 /nfs/dbraw/zinc/49/21/28/822492128.db2.gz DQCAOXRNAJDDOV-INFVRCAFSA-N 1 0 383.923 4.480 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCCN(c2ccccc2F)C1)c1cccc(N2CCOC2=O)c1 ZINC000179500699 822492298 /nfs/dbraw/zinc/49/22/98/822492298.db2.gz LVBXWTAJQNPOJP-AEFFLSMTSA-N 1 0 383.467 4.102 20 0 GIADRO CSCC1CCC(NC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)CC1 ZINC000454531583 822492492 /nfs/dbraw/zinc/49/24/92/822492492.db2.gz YDVOYABRIILJIB-PGYGNJIDSA-N 1 0 389.609 4.433 20 0 GIADRO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[NH2+][C@@H](C)c1oc2ccccc2c1C ZINC000183543819 822492598 /nfs/dbraw/zinc/49/25/98/822492598.db2.gz DWVWSPAQYLJLRB-YJBOKZPZSA-N 1 0 397.471 4.043 20 0 GIADRO COc1ccc(C[C@H](C)C[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)cc1OC ZINC000179507085 822492887 /nfs/dbraw/zinc/49/28/87/822492887.db2.gz CGCONZASLPQSBJ-IRXDYDNUSA-N 1 0 398.503 4.190 20 0 GIADRO COc1ccc(C[C@H](C)C[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)cc1OC ZINC000179507105 822492890 /nfs/dbraw/zinc/49/28/90/822492890.db2.gz CGCONZASLPQSBJ-DLBZAZTESA-N 1 0 398.503 4.190 20 0 GIADRO CC[C@H](NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1cc(F)ccc1F ZINC000179508960 822493220 /nfs/dbraw/zinc/49/32/20/822493220.db2.gz CLDBLPVTOMEIFC-FQEVSTJZSA-N 1 0 388.462 4.027 20 0 GIADRO COc1cc(NC(=O)C[NH2+][C@H](C)c2oc3ccccc3c2C)cc(OC)c1OC ZINC000183551894 822493557 /nfs/dbraw/zinc/49/35/57/822493557.db2.gz GVICPSDXSWFGLX-CQSZACIVSA-N 1 0 398.459 4.056 20 0 GIADRO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@H](C)c1cc(Cl)ccc1Cl ZINC000179517452 822495234 /nfs/dbraw/zinc/49/52/34/822495234.db2.gz RRGSYYOFISCPNU-CHWSQXEVSA-N 1 0 376.287 4.443 20 0 GIADRO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+][C@@H](C)Cn1ncc2ccccc2c1=O ZINC000179518153 822495753 /nfs/dbraw/zinc/49/57/53/822495753.db2.gz IFEYOOLQQSNMJD-UONOGXRCSA-N 1 0 384.549 4.198 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@H]2CCN(c3ccc(Cl)c(F)c3)C2)c1 ZINC000179524570 822496781 /nfs/dbraw/zinc/49/67/81/822496781.db2.gz TYIWZKLXHLYZRN-DYVFJYSZSA-N 1 0 375.875 4.367 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H](C)c1ccc(OC(C)C)cc1 ZINC000179526577 822497104 /nfs/dbraw/zinc/49/71/04/822497104.db2.gz WZWRMTSDLKCGIC-AWEZNQCLSA-N 1 0 376.884 4.425 20 0 GIADRO C[C@@H]1C[C@H]1[C@@H](NC(=O)NC1CC[NH+](C2CCC2)CC1)c1ccc(Cl)cc1 ZINC000454567442 822497878 /nfs/dbraw/zinc/49/78/78/822497878.db2.gz PWBAMHVHNDMWHD-XMCHAPAWSA-N 1 0 375.944 4.353 20 0 GIADRO C[C@@H]1C[C@@H]1[C@H](NC(=O)NC1CC[NH+](C2CCC2)CC1)c1ccc(Cl)cc1 ZINC000454567441 822497909 /nfs/dbraw/zinc/49/79/09/822497909.db2.gz PWBAMHVHNDMWHD-VOBQZIQPSA-N 1 0 375.944 4.353 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1 ZINC000454573179 822499119 /nfs/dbraw/zinc/49/91/19/822499119.db2.gz WMMMXMBYKJSGMI-UHFFFAOYSA-N 1 0 397.445 4.133 20 0 GIADRO COC[C@H](O)CC[NH2+][C@@H](C)c1ccc(-c2ccccc2Br)s1 ZINC000179537704 822499499 /nfs/dbraw/zinc/49/94/99/822499499.db2.gz ZWWKVZHBNJIOTJ-QWHCGFSZSA-N 1 0 384.339 4.226 20 0 GIADRO Cc1c2ccccc2oc1[C@@H](C)[NH2+]CC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000183598977 822499556 /nfs/dbraw/zinc/49/95/56/822499556.db2.gz QFRINXXISIBOPS-MRXNPFEDSA-N 1 0 391.471 4.157 20 0 GIADRO CCN(CC)C(=O)C1([NH2+]Cc2sc(C)nc2C(F)(F)F)CCCCC1 ZINC000183612340 822501268 /nfs/dbraw/zinc/50/12/68/822501268.db2.gz ZKNXXOPWDNPKBH-UHFFFAOYSA-N 1 0 377.476 4.131 20 0 GIADRO O=C(OC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ncccc1C(F)(F)F ZINC000183619128 822502197 /nfs/dbraw/zinc/50/21/97/822502197.db2.gz GUUARUBRYMETBA-INIZCTEOSA-N 1 0 378.394 4.169 20 0 GIADRO Cc1c2ccccc2oc1[C@H](C)[NH2+]CC(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000183627177 822503223 /nfs/dbraw/zinc/50/32/23/822503223.db2.gz RTAIKDKCIZVOFU-RBUKOAKNSA-N 1 0 391.515 4.035 20 0 GIADRO COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000454601355 822504124 /nfs/dbraw/zinc/50/41/24/822504124.db2.gz SUUDVFBYAYXPDB-OAHLLOKOSA-N 1 0 387.455 4.008 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)NC[C@H]2CSc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000454603219 822504364 /nfs/dbraw/zinc/50/43/64/822504364.db2.gz RLOZVSHLFIADDC-YZGWKJHDSA-N 1 0 395.572 4.228 20 0 GIADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)N[C@H](CC1CCC1)c1ccccc1 ZINC000183636471 822504730 /nfs/dbraw/zinc/50/47/30/822504730.db2.gz TZLWZQHOTWGXHX-JOCHJYFZSA-N 1 0 380.536 4.086 20 0 GIADRO CC(C)(C[NH2+][C@@H](c1ccc(Cl)cc1)c1ccc(OC(F)F)cc1)C(N)=O ZINC000183642165 822505390 /nfs/dbraw/zinc/50/53/90/822505390.db2.gz DOTZFBLIMBFLIN-INIZCTEOSA-N 1 0 382.838 4.132 20 0 GIADRO C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000454609596 822505599 /nfs/dbraw/zinc/50/55/99/822505599.db2.gz VNOGLFZROSVSPD-PSBWJHGTSA-N 1 0 397.485 4.412 20 0 GIADRO CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3sc(C)nc3C(F)(F)F)ccc2NC1=O ZINC000183644570 822505621 /nfs/dbraw/zinc/50/56/21/822505621.db2.gz GHZFRYLMHGXYBW-NOZJJQNGSA-N 1 0 399.438 4.431 20 0 GIADRO Cc1nc(C(F)(F)F)c(C[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)s1 ZINC000183643077 822505635 /nfs/dbraw/zinc/50/56/35/822505635.db2.gz VHPMAVQGQDIZJY-SNVBAGLBSA-N 1 0 385.411 4.278 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1cccc(OC(F)F)c1)C(=O)N(C)Cc1cccc(F)c1 ZINC000179573178 822505663 /nfs/dbraw/zinc/50/56/63/822505663.db2.gz MXWGSNFUAUGFEI-KBPBESRZSA-N 1 0 380.410 4.125 20 0 GIADRO Cc1nc(C(F)(F)F)c(C[NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)s1 ZINC000183643113 822505679 /nfs/dbraw/zinc/50/56/79/822505679.db2.gz YMIYZIVVPLKYKN-LLVKDONJSA-N 1 0 383.439 4.448 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N(C)c1nc2ccccc2s1)c1cccc(OC(F)F)c1 ZINC000179575425 822505849 /nfs/dbraw/zinc/50/58/49/822505849.db2.gz IMPMETGJGMENEW-GFCCVEGCSA-N 1 0 391.443 4.211 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N(C)[C@H](C)c1ccc(F)cc1)c1cccc(OC(F)F)c1 ZINC000179576960 822506209 /nfs/dbraw/zinc/50/62/09/822506209.db2.gz CYOCEGHGSRQVMZ-ZIAGYGMSSA-N 1 0 380.410 4.297 20 0 GIADRO Cc1c(O)ccc2c(C[NH2+][C@H](C)c3cccc(OC(F)F)c3)cc(=O)oc12 ZINC000179586220 822507476 /nfs/dbraw/zinc/50/74/76/822507476.db2.gz GGCUIFCXEUMWNQ-GFCCVEGCSA-N 1 0 375.371 4.259 20 0 GIADRO O=C(N[C@H]1C[C@H](c2ccccc2Cl)C1)NC1CC[NH+](C2CCCC2)CC1 ZINC000454621813 822508039 /nfs/dbraw/zinc/50/80/39/822508039.db2.gz QDEJPHOMNCOZTQ-JCNLHEQBSA-N 1 0 375.944 4.292 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(OC(F)F)cc1)c1cccc(OC(F)F)c1 ZINC000179591860 822508689 /nfs/dbraw/zinc/50/86/89/822508689.db2.gz BHZZQCHXKJMIBU-LLVKDONJSA-N 1 0 386.345 4.179 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc(C)c2C)cc1 ZINC000183672309 822508898 /nfs/dbraw/zinc/50/88/98/822508898.db2.gz WBRPAPGVZCWKJS-MSOLQXFVSA-N 1 0 376.504 4.475 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Cc1cccc2cccnc21 ZINC000046715563 822508979 /nfs/dbraw/zinc/50/89/79/822508979.db2.gz ZBVZVVOQYNJTSU-LJQANCHMSA-N 1 0 387.527 4.468 20 0 GIADRO C[C@H]([NH2+]CC(=O)N(C)Cc1ccc(Cl)s1)c1cccc(OC(F)F)c1 ZINC000179595826 822509436 /nfs/dbraw/zinc/50/94/36/822509436.db2.gz BBUZNQKAHHPPME-NSHDSACASA-N 1 0 388.867 4.312 20 0 GIADRO Cc1c(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)cnn1-c1cccc(Cl)c1 ZINC000046720849 822509497 /nfs/dbraw/zinc/50/94/97/822509497.db2.gz USNAVECKJBYKCG-UHFFFAOYSA-N 1 0 398.894 4.027 20 0 GIADRO CC[NH+](CC)CCOc1ccc(NC(=O)N(C)C[C@@H](C)c2nccs2)cc1 ZINC000183678727 822510080 /nfs/dbraw/zinc/51/00/80/822510080.db2.gz ICKIOOBWIRKCPW-MRXNPFEDSA-N 1 0 390.553 4.131 20 0 GIADRO CC[C@@H]([NH2+][C@H](C)c1ccc(-n2ccnc2C)cc1)C(=O)Nc1ccc(OC)cc1 ZINC000183679904 822510216 /nfs/dbraw/zinc/51/02/16/822510216.db2.gz ZLMBAUKBHKLISL-OPAMFIHVSA-N 1 0 392.503 4.257 20 0 GIADRO Cc1nn(-c2ccccc2)cc1NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000183687653 822511294 /nfs/dbraw/zinc/51/12/94/822511294.db2.gz DRBAUWSLFZVLDN-LJQANCHMSA-N 1 0 395.532 4.201 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)COc2ccc(Br)cc2)c1 ZINC000046735959 822511457 /nfs/dbraw/zinc/51/14/57/822511457.db2.gz XXWGOMURPFKDOV-UHFFFAOYSA-N 1 0 391.309 4.308 20 0 GIADRO CC[C@H]1C[N@H+](CC)CCN1C(=O)Nc1cccc(C(=O)Nc2ccccc2)c1C ZINC000454644033 822511469 /nfs/dbraw/zinc/51/14/69/822511469.db2.gz FUANYFYWDQNSLQ-IBGZPJMESA-N 1 0 394.519 4.195 20 0 GIADRO CCC[C@@H]1C[C@H](C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)CCO1 ZINC000183691061 822512314 /nfs/dbraw/zinc/51/23/14/822512314.db2.gz YCTQWJNSKDSNAQ-UYAOXDASSA-N 1 0 392.971 4.264 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N(C)Cc1ccc(Br)cc1 ZINC000046751326 822512943 /nfs/dbraw/zinc/51/29/43/822512943.db2.gz RPLMCEPXQDRCOV-MRXNPFEDSA-N 1 0 396.373 4.245 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1ccc(OC(F)(F)F)cc1 ZINC000046757258 822513868 /nfs/dbraw/zinc/51/38/68/822513868.db2.gz PNRAERRRLXJGJG-UHFFFAOYSA-N 1 0 380.410 4.355 20 0 GIADRO O=C(C[C@@H](O)c1ccc(Cl)cc1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000179619290 822513995 /nfs/dbraw/zinc/51/39/95/822513995.db2.gz DTQYXASQWSAVNB-OAQYLSRUSA-N 1 0 386.923 4.066 20 0 GIADRO CC(=O)N(c1nc(C[NH2+][C@@H](CCO)C2CCCCC2)cs1)c1ccccc1 ZINC000183703203 822514059 /nfs/dbraw/zinc/51/40/59/822514059.db2.gz SOWYKIZUPMXTBD-FQEVSTJZSA-N 1 0 387.549 4.249 20 0 GIADRO COc1cc(C)c([C@H](C)[NH2+]CC(=O)N(C)[C@H](C)c2ccc(F)cc2)cc1OC ZINC000179619984 822514137 /nfs/dbraw/zinc/51/41/37/822514137.db2.gz IOTFCNAEZOCOFE-JKSUJKDBSA-N 1 0 388.483 4.022 20 0 GIADRO COc1cc(C)c([C@H](C)[NH2+]Cc2cccc(C(=O)NCC(C)C)c2)cc1OC ZINC000179620338 822514140 /nfs/dbraw/zinc/51/41/40/822514140.db2.gz NFOBHLOKKPCCJY-KRWDZBQOSA-N 1 0 384.520 4.249 20 0 GIADRO CCc1cccc(CC)c1NC(=O)C[NH2+][C@@H](C)c1cc(OC)c(OC)cc1C ZINC000179619501 822514180 /nfs/dbraw/zinc/51/41/80/822514180.db2.gz BLFZOVVXTFERIU-INIZCTEOSA-N 1 0 384.520 4.426 20 0 GIADRO Clc1ccccc1C1(C[NH2+]Cc2cncc(Br)c2)CCOCC1 ZINC000183703318 822514282 /nfs/dbraw/zinc/51/42/82/822514282.db2.gz YTTGTWPHDUOTHR-UHFFFAOYSA-N 1 0 395.728 4.336 20 0 GIADRO Fc1ccc([C@H]([NH2+][C@H]2CCN(c3c(F)cccc3F)C2)c2ccccc2)nc1 ZINC000183709041 822514921 /nfs/dbraw/zinc/51/49/21/822514921.db2.gz NFISRCSBLGJXHL-LAUBAEHRSA-N 1 0 383.417 4.457 20 0 GIADRO C[NH+]1CCC(NC(=O)c2c(F)cccc2Sc2ccc(Cl)cc2)CC1 ZINC000183708249 822514963 /nfs/dbraw/zinc/51/49/63/822514963.db2.gz XIYPEJKBYRZYLL-UHFFFAOYSA-N 1 0 378.900 4.454 20 0 GIADRO CC[C@](C)(COc1ncccc1Cl)[NH2+]CC(=O)Nc1c(C)cccc1Cl ZINC000179626347 822515281 /nfs/dbraw/zinc/51/52/81/822515281.db2.gz DXOAILSYCHXXMV-LJQANCHMSA-N 1 0 396.318 4.473 20 0 GIADRO COc1cc(C)c([C@H](C)[NH2+]CC(=O)Nc2c(C)cccc2Cl)cc1OC ZINC000179629433 822515790 /nfs/dbraw/zinc/51/57/90/822515790.db2.gz XFWZQFSUPPICJW-AWEZNQCLSA-N 1 0 376.884 4.263 20 0 GIADRO O[C@H](C[NH2+]CC1CCC(C(F)(F)F)CC1)c1cc(Cl)c2c(c1)OCCO2 ZINC000183716961 822515927 /nfs/dbraw/zinc/51/59/27/822515927.db2.gz RMBQBOABPRBHFC-ABIUDSBCSA-N 1 0 393.833 4.103 20 0 GIADRO COc1cc(NC(=O)C[NH2+][C@H](C)c2cccc(C)c2C)c(OC)cc1Cl ZINC000183716189 822515931 /nfs/dbraw/zinc/51/59/31/822515931.db2.gz WOAPSWIHLZVLPO-CQSZACIVSA-N 1 0 376.884 4.263 20 0 GIADRO CCCC(=O)Nc1ccc(Cl)c(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)c1 ZINC000179631313 822516204 /nfs/dbraw/zinc/51/62/04/822516204.db2.gz HETMLZHMQMVWDG-INIZCTEOSA-N 1 0 392.931 4.171 20 0 GIADRO CO[C@@H](C)c1cccc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)c1 ZINC000454685546 822517080 /nfs/dbraw/zinc/51/70/80/822517080.db2.gz RADBGEGMHFTFFI-MOPGFXCFSA-N 1 0 381.520 4.380 20 0 GIADRO Cc1ccc(C[NH2+]Cc2cncc(Br)c2)c(OCC(F)(F)F)c1 ZINC000183730302 822517975 /nfs/dbraw/zinc/51/79/75/822517975.db2.gz OSDKXKZVEFWEKX-UHFFFAOYSA-N 1 0 389.215 4.383 20 0 GIADRO O=C(NC1CC[NH+](Cc2c(Cl)cccc2N2CCCC2)CC1)c1ccccc1 ZINC000179642399 822518450 /nfs/dbraw/zinc/51/84/50/822518450.db2.gz BQGLUOPLGPMYNK-UHFFFAOYSA-N 1 0 397.950 4.335 20 0 GIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NCc2ncc(C(C)C)s2)CC1 ZINC000183733796 822518445 /nfs/dbraw/zinc/51/84/45/822518445.db2.gz APKQVIKANRUATO-MRXNPFEDSA-N 1 0 390.572 4.398 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]Cc1cc(=O)n2cccc(C)c2n1 ZINC000183735592 822519143 /nfs/dbraw/zinc/51/91/43/822519143.db2.gz XTMRWQXFYXMPSP-HNNXBMFYSA-N 1 0 390.512 4.286 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCOC3=O)cc2)cc1OCC ZINC000183736587 822519367 /nfs/dbraw/zinc/51/93/67/822519367.db2.gz KPORNNIFFNOAHQ-INIZCTEOSA-N 1 0 384.476 4.291 20 0 GIADRO Cc1ccsc1CNC(=O)C[NH2+][C@H](C)c1sc(-c2ccccc2)nc1C ZINC000183739410 822519878 /nfs/dbraw/zinc/51/98/78/822519878.db2.gz XWGDFHMWWUSSAO-CQSZACIVSA-N 1 0 385.558 4.455 20 0 GIADRO COc1ccc([C@H]2CCC[N@@H+]2Cc2cn(C)nc2-c2ccccc2)cc1OC ZINC000179660655 822522091 /nfs/dbraw/zinc/52/20/91/822522091.db2.gz FWTICDWAHPVZBH-HXUWFJFHSA-N 1 0 377.488 4.441 20 0 GIADRO C[N@H+](CCc1ccncc1)Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000183752920 822522364 /nfs/dbraw/zinc/52/23/64/822522364.db2.gz CQONHHRHWPHFSQ-UHFFFAOYSA-N 1 0 383.499 4.063 20 0 GIADRO COc1cc(OC)c(OC)cc1C[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000046836371 822522514 /nfs/dbraw/zinc/52/25/14/822522514.db2.gz WPSZMBRUADRHQJ-LBPRGKRZSA-N 1 0 385.382 4.462 20 0 GIADRO CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@H](C)c2cccc(Cl)c2Cl)cc1 ZINC000183767112 822525241 /nfs/dbraw/zinc/52/52/41/822525241.db2.gz ZESKDVNLICRONL-IUODEOHRSA-N 1 0 397.302 4.042 20 0 GIADRO Cn1c(CC[NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)nc2c1cccc2F ZINC000183768420 822525652 /nfs/dbraw/zinc/52/56/52/822525652.db2.gz IGSHRZWJHQJZGI-NRFANRHFSA-N 1 0 378.426 4.168 20 0 GIADRO Cn1c(CC[NH2+][C@H](c2ccccc2)c2ccc(F)cn2)nc2cc(F)ccc21 ZINC000183773663 822526220 /nfs/dbraw/zinc/52/62/20/822526220.db2.gz KBUXFASLTOCAMN-JOCHJYFZSA-N 1 0 378.426 4.168 20 0 GIADRO Cc1cccc(OC[C@@H](O)C[NH2+][C@@H](C)c2cccc(OCc3ccccn3)c2)c1 ZINC000179686552 822527155 /nfs/dbraw/zinc/52/71/55/822527155.db2.gz BDRPZCQZSRPSJG-UGKGYDQZSA-N 1 0 392.499 4.060 20 0 GIADRO Cc1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2cccc(OCc3ccccn3)c2)cc1 ZINC000179688388 822527803 /nfs/dbraw/zinc/52/78/03/822527803.db2.gz HCHPQLVWWKQHPY-KNQAVFIVSA-N 1 0 392.499 4.060 20 0 GIADRO O=C(C1CC[NH+](Cc2ccc(OC(F)F)c(Cl)c2)CC1)N1CCCCC1 ZINC000179688290 822527863 /nfs/dbraw/zinc/52/78/63/822527863.db2.gz ZDJZKHIFSLHGMG-UHFFFAOYSA-N 1 0 386.870 4.166 20 0 GIADRO C[C@@H]1CN(C(=O)Nc2cc(F)c(F)cc2F)CC[N@H+](Cc2ccccc2)C1 ZINC000454752898 822528324 /nfs/dbraw/zinc/52/83/24/822528324.db2.gz XTRQFLMJBIZHGI-AWEZNQCLSA-N 1 0 377.410 4.090 20 0 GIADRO COc1cc([C@@H](C)[NH2+]C[C@H](O)c2ccccc2F)ccc1OCc1ccncc1 ZINC000179703069 822531086 /nfs/dbraw/zinc/53/10/86/822531086.db2.gz BFYPEJXLLSMJAI-IERDGZPVSA-N 1 0 396.462 4.193 20 0 GIADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2ccc(Br)cc2C(F)(F)F)C1 ZINC000179707795 822531986 /nfs/dbraw/zinc/53/19/86/822531986.db2.gz QYPAXIZAZMFVIE-NEPJUHHUSA-N 1 0 393.247 4.071 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cc(=O)c4ccccc4o3)cc2)C1 ZINC000046934305 822532370 /nfs/dbraw/zinc/53/23/70/822532370.db2.gz ZVGPURBYRUFIAD-INIZCTEOSA-N 1 0 376.456 4.277 20 0 GIADRO CC(=O)N[C@@H](CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1cccs1 ZINC000046934193 822532401 /nfs/dbraw/zinc/53/24/01/822532401.db2.gz ITFDCEVBKIEVMZ-JXFKEZNVSA-N 1 0 399.560 4.186 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cccc(N4CCCC4=O)c3)cc2)C1 ZINC000046934335 822532510 /nfs/dbraw/zinc/53/25/10/822532510.db2.gz YFYSORXRKBYKAP-SFHVURJKSA-N 1 0 391.515 4.298 20 0 GIADRO CCOc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](C4(C)OCCO4)C3)cs2)cc1 ZINC000183825619 822532856 /nfs/dbraw/zinc/53/28/56/822532856.db2.gz SHLMESUCMVPXBJ-QGZVFWFLSA-N 1 0 388.533 4.184 20 0 GIADRO Cc1ccccc1CCN(C)C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000454781129 822533016 /nfs/dbraw/zinc/53/30/16/822533016.db2.gz XUDQQAGMTTVPKZ-NZQKXSOJSA-N 1 0 379.548 4.090 20 0 GIADRO CC[C@@H]([NH2+][C@@H](C)C(=O)NCCc1cccs1)c1ccccc1OC(F)F ZINC000179717812 822534376 /nfs/dbraw/zinc/53/43/76/822534376.db2.gz IMIGHAWKLRDBJM-XJKSGUPXSA-N 1 0 382.476 4.138 20 0 GIADRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccnn1C(C)C)c1ccccc1OC(F)F ZINC000179719489 822534774 /nfs/dbraw/zinc/53/47/74/822534774.db2.gz DQQWSVSCURANJP-DZGCQCFKSA-N 1 0 380.439 4.133 20 0 GIADRO Cc1noc(C)c1COc1cccc(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000046990778 822536071 /nfs/dbraw/zinc/53/60/71/822536071.db2.gz GZCVHACLROYCCE-QGZVFWFLSA-N 1 0 399.535 4.112 20 0 GIADRO Cc1ccc(-c2cnc(CCC(=O)NCCCC[N@H+]3CCC[C@@H](C)C3)o2)cc1 ZINC000046991762 822536270 /nfs/dbraw/zinc/53/62/70/822536270.db2.gz ZMAHGGPBUZKLEU-LJQANCHMSA-N 1 0 383.536 4.211 20 0 GIADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)C1 ZINC000046991509 822536286 /nfs/dbraw/zinc/53/62/86/822536286.db2.gz SHKIVSHCEVPTNU-QGZVFWFLSA-N 1 0 389.540 4.276 20 0 GIADRO COC(=O)COc1ccccc1[C@H](C)[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000183855913 822536666 /nfs/dbraw/zinc/53/66/66/822536666.db2.gz APOVFIFJPAWIAY-KSSFIOAISA-N 1 0 389.879 4.456 20 0 GIADRO CCOc1ccccc1[C@@H](CC)[NH2+][C@@H](C)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000179733497 822537906 /nfs/dbraw/zinc/53/79/06/822537906.db2.gz RDEPYCAJRFBSRQ-MGPUTAFESA-N 1 0 383.492 4.112 20 0 GIADRO C[C@H](NC(=O)C[NH2+][C@@H](CCCO)c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000179734334 822538255 /nfs/dbraw/zinc/53/82/55/822538255.db2.gz KVIDKIDBWKWVES-LIRRHRJNSA-N 1 0 395.330 4.274 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2occc2COc2ccccc2)C1 ZINC000047039204 822539047 /nfs/dbraw/zinc/53/90/47/822539047.db2.gz YHVYCJSWBFKSPT-KDURUIRLSA-N 1 0 384.520 4.347 20 0 GIADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)CCc2ncc(-c3ccccc3)o2)C1 ZINC000047039607 822539124 /nfs/dbraw/zinc/53/91/24/822539124.db2.gz IOYPWBBUYMYLCZ-RTBURBONSA-N 1 0 383.536 4.149 20 0 GIADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)CCC(=O)c2ccc(Cl)cc2)C1 ZINC000047037987 822539142 /nfs/dbraw/zinc/53/91/42/822539142.db2.gz AEGBRMKTFBXOFV-IAGOWNOFSA-N 1 0 378.944 4.177 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)CCCc2nc3ccccc3s2)C1 ZINC000047038669 822539183 /nfs/dbraw/zinc/53/91/83/822539183.db2.gz LHZAPQYHGUQYKS-HDICACEKSA-N 1 0 387.593 4.493 20 0 GIADRO CCOc1ccccc1[C@H](CC)[NH2+][C@H](C)C(=O)Nc1ccc(OC)cc1OC ZINC000179740873 822540241 /nfs/dbraw/zinc/54/02/41/822540241.db2.gz SRBUNXLEPAHFQR-QAPCUYQASA-N 1 0 386.492 4.170 20 0 GIADRO Cc1ccc(C(C)(C)CN(C)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000179748867 822541993 /nfs/dbraw/zinc/54/19/93/822541993.db2.gz BFZIOIQQOGKAPT-UHFFFAOYSA-N 1 0 394.563 4.226 20 0 GIADRO O=C(NCc1ccccc1)C1CC[NH+](Cc2cccc(-c3ccccn3)c2)CC1 ZINC000179749505 822542271 /nfs/dbraw/zinc/54/22/71/822542271.db2.gz ILDAGXQTFUVCRC-UHFFFAOYSA-N 1 0 385.511 4.277 20 0 GIADRO CCOc1ccc(C(C)=O)cc1C[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179751053 822542642 /nfs/dbraw/zinc/54/26/42/822542642.db2.gz KOAZATJBCHAVAX-HSZRJFAPSA-N 1 0 381.472 4.300 20 0 GIADRO CC(C)c1cccc(C(C)C)c1NC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000183900408 822542964 /nfs/dbraw/zinc/54/29/64/822542964.db2.gz PGNOLFTXAFBQQS-UHFFFAOYSA-N 1 0 388.600 4.471 20 0 GIADRO C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000179751799 822542959 /nfs/dbraw/zinc/54/29/59/822542959.db2.gz GGVSXHRRIDXGDJ-JTSKRJEESA-N 1 0 396.510 4.230 20 0 GIADRO C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[NH2+][C@@H](CCCO)c1ccccc1 ZINC000179753048 822543064 /nfs/dbraw/zinc/54/30/64/822543064.db2.gz BMNKRTANGCLELJ-XLIONFOSSA-N 1 0 380.488 4.056 20 0 GIADRO COc1ccccc1COC1CC[NH+](Cc2ccc(OC(F)F)cc2)CC1 ZINC000179753174 822543303 /nfs/dbraw/zinc/54/33/03/822543303.db2.gz NPWTVRWFIRBOCI-UHFFFAOYSA-N 1 0 377.431 4.478 20 0 GIADRO Cc1ccc(SCC(F)(F)F)c(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000454838912 822543924 /nfs/dbraw/zinc/54/39/24/822543924.db2.gz SKBQBMBZXGKITI-AGUYFDCRSA-N 1 0 387.471 4.396 20 0 GIADRO Cc1cc(Cl)cc(C[NH+]2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)c1O ZINC000179756843 822544245 /nfs/dbraw/zinc/54/42/45/822544245.db2.gz QXHROFVOBLZVME-UHFFFAOYSA-N 1 0 394.302 4.253 20 0 GIADRO Cc1ccc(CN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C(C)C)s1 ZINC000179757076 822544477 /nfs/dbraw/zinc/54/44/77/822544477.db2.gz KJAWCLJUFXBAOR-UHFFFAOYSA-N 1 0 386.565 4.288 20 0 GIADRO Cc1c(C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)[nH]c2c1C(=O)CCC2 ZINC000047121273 822545651 /nfs/dbraw/zinc/54/56/51/822545651.db2.gz CUKXADMCHHXXAQ-INIZCTEOSA-N 1 0 393.531 4.147 20 0 GIADRO CCN1c2ccc(N[C@@H](C)c3ccc(OCC[NH+](C)C)cc3)cc2CCC1=O ZINC000183917414 822545846 /nfs/dbraw/zinc/54/58/46/822545846.db2.gz OZUYCVBLATVBGA-KRWDZBQOSA-N 1 0 381.520 4.099 20 0 GIADRO Cc1cc(Cl)ccc1NC(=O)C[NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000179765893 822547454 /nfs/dbraw/zinc/54/74/54/822547454.db2.gz KWQQXKISXHQUDZ-AWEZNQCLSA-N 1 0 385.895 4.286 20 0 GIADRO Cc1cnc(C(C)(C)[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)s1 ZINC000183925125 822547976 /nfs/dbraw/zinc/54/79/76/822547976.db2.gz PRDWWEWQXNRTLM-GFCCVEGCSA-N 1 0 375.321 4.023 20 0 GIADRO C[C@@H](Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)c1cnc2ccsc2c1 ZINC000179771697 822549359 /nfs/dbraw/zinc/54/93/59/822549359.db2.gz BHKPAKYMNAMWEF-OAHLLOKOSA-N 1 0 394.544 4.167 20 0 GIADRO NC(=O)C1CC[NH+](Cc2cccc(N[C@@H]3CCSc4ccc(F)cc43)c2)CC1 ZINC000179771114 822549405 /nfs/dbraw/zinc/54/94/05/822549405.db2.gz OVCSBZOEXHGYDO-HXUWFJFHSA-N 1 0 399.535 4.172 20 0 GIADRO CSc1ccc([C@@H](CNC(=O)Nc2c(F)cc(F)cc2F)[NH+](C)C)cc1 ZINC000454880340 822550361 /nfs/dbraw/zinc/55/03/61/822550361.db2.gz ANKVDGMRYCHKOQ-MRXNPFEDSA-N 1 0 383.439 4.250 20 0 GIADRO CC[NH+]1CCN(c2ccccc2N[C@H](C)c2ccc(OCCOC)cc2)CC1 ZINC000179775761 822550382 /nfs/dbraw/zinc/55/03/82/822550382.db2.gz PRGWKUSRWPRTHE-LJQANCHMSA-N 1 0 383.536 4.027 20 0 GIADRO CC[NH+]1CCN(c2ccccc2N[C@H](C)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000179777002 822550739 /nfs/dbraw/zinc/55/07/39/822550739.db2.gz KUCPKEHPANXWOH-LJQANCHMSA-N 1 0 392.547 4.128 20 0 GIADRO CCCOc1c(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)cccc1OCC ZINC000179778784 822551015 /nfs/dbraw/zinc/55/10/15/822551015.db2.gz REXBMCKOUYFXHY-IBGZPJMESA-N 1 0 394.519 4.296 20 0 GIADRO CCO[C@@H]1C[C@@H](Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)C12CCC2 ZINC000179782200 822551879 /nfs/dbraw/zinc/55/18/79/822551879.db2.gz LJBUHQCAMJTLKC-NHCUHLMSSA-N 1 0 375.532 4.116 20 0 GIADRO COC1CCN(c2ccc(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2C(F)(F)F)CC1 ZINC000179782537 822551931 /nfs/dbraw/zinc/55/19/31/822551931.db2.gz BLIRMBJEUHBUJV-IAGOWNOFSA-N 1 0 397.485 4.359 20 0 GIADRO O=C(N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1)NC1CC[NH+](C2CCC2)CC1 ZINC000454893762 822552045 /nfs/dbraw/zinc/55/20/45/822552045.db2.gz RTSXOKPABBWFNV-RZDIXWSQSA-N 1 0 395.469 4.268 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)CCCc1ncc(-c2ccccc2)o1 ZINC000047187676 822552306 /nfs/dbraw/zinc/55/23/06/822552306.db2.gz NZEWMXKQGYXMPV-IBGZPJMESA-N 1 0 383.536 4.435 20 0 GIADRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2ccc(COc3ccc(F)cc3)o2)C1 ZINC000047187858 822552437 /nfs/dbraw/zinc/55/24/37/822552437.db2.gz FMEGIVSITRUBLU-KRWDZBQOSA-N 1 0 388.483 4.240 20 0 GIADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)C1 ZINC000047187825 822552584 /nfs/dbraw/zinc/55/25/84/822552584.db2.gz XZAILBPORCMFPQ-LJQANCHMSA-N 1 0 393.531 4.181 20 0 GIADRO CC[C@@H](NC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C1CCCC1 ZINC000454897297 822552938 /nfs/dbraw/zinc/55/29/38/822552938.db2.gz IMXRXGQMIGYCTG-OFLPRAFFSA-N 1 0 375.479 4.060 20 0 GIADRO Cc1cnc(C(C)(C)[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)s1 ZINC000183953469 822553179 /nfs/dbraw/zinc/55/31/79/822553179.db2.gz ONUWYYCYDKTMSS-LLVKDONJSA-N 1 0 375.321 4.023 20 0 GIADRO COc1ccccc1NC(=O)C[C@H](C)[NH2+]CC1(c2ccccc2OC)CCC1 ZINC000183960662 822554242 /nfs/dbraw/zinc/55/42/42/822554242.db2.gz NSEUUKGOXDNVKN-KRWDZBQOSA-N 1 0 382.504 4.132 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(-n2ncc3ccccc32)cc1 ZINC000183978318 822556975 /nfs/dbraw/zinc/55/69/75/822556975.db2.gz CUSRZCHZVAKGJG-CTNGQTDRSA-N 1 0 389.503 4.116 20 0 GIADRO COC(=O)c1oc(C[N@H+]2CC=C(c3c[nH]c4ccc(OC)cc43)CC2)cc1C ZINC000047257143 822559085 /nfs/dbraw/zinc/55/90/85/822559085.db2.gz NMTHJJUKNXRKJL-UHFFFAOYSA-N 1 0 380.444 4.154 20 0 GIADRO C[C@H]([NH2+]CCC[C@H]1CCCCO1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000183998130 822560747 /nfs/dbraw/zinc/56/07/47/822560747.db2.gz CGZVRAMRGNCEBL-PKOBYXMFSA-N 1 0 379.566 4.403 20 0 GIADRO CC(=O)N(c1nc(C[NH2+][C@@H](C)C2CCOCC2)cs1)c1ccc(C)cc1C ZINC000179836264 822563222 /nfs/dbraw/zinc/56/32/22/822563222.db2.gz UWVRTUZCPYXOLF-INIZCTEOSA-N 1 0 387.549 4.349 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1cccnc1Cl)C(c1ccccc1)c1ccccc1 ZINC000184011900 822563566 /nfs/dbraw/zinc/56/35/66/822563566.db2.gz UGLBGGMBALNVHB-MRXNPFEDSA-N 1 0 379.891 4.484 20 0 GIADRO COc1cccc([C@@H]2CCCN2C(=O)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000047304376 822563624 /nfs/dbraw/zinc/56/36/24/822563624.db2.gz UOJOJMNZFRRAOA-QHCPKHFHSA-N 1 0 378.516 4.271 20 0 GIADRO CCC(CC)n1nc(C)cc1C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000179844733 822565108 /nfs/dbraw/zinc/56/51/08/822565108.db2.gz HLXCOLJCGHJBOH-UHFFFAOYSA-N 1 0 382.552 4.255 20 0 GIADRO C[C@@H](Nc1cccc(N2CCCCC2=O)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000179849237 822565809 /nfs/dbraw/zinc/56/58/09/822565809.db2.gz RDPVQTZCALYBSN-GOSISDBHSA-N 1 0 381.520 4.317 20 0 GIADRO Cc1nccn1CCCNC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000047351179 822569877 /nfs/dbraw/zinc/56/98/77/822569877.db2.gz FOHDNIGNTHNLJF-UHFFFAOYSA-N 1 0 383.540 4.168 20 0 GIADRO COC(=O)C[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000179888403 822572095 /nfs/dbraw/zinc/57/20/95/822572095.db2.gz QUENRIHYTWNBRI-QGZVFWFLSA-N 1 0 386.879 4.120 20 0 GIADRO C[C@H](Nc1ccc(N2CCSCC2)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000179898906 822573409 /nfs/dbraw/zinc/57/34/09/822573409.db2.gz BSJWOCJWWRAQGC-SFHVURJKSA-N 1 0 385.577 4.353 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)c2c(C)onc2-c2ccccn2)CC1 ZINC000184070177 822573800 /nfs/dbraw/zinc/57/38/00/822573800.db2.gz SGPHBVKCFALVJP-UHFFFAOYSA-N 1 0 384.524 4.019 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)CC1 ZINC000184071031 822573997 /nfs/dbraw/zinc/57/39/97/822573997.db2.gz OIWMQPSBZFZYAR-QUCCMNQESA-N 1 0 378.507 4.429 20 0 GIADRO O=C(Nc1cccc(NC(=O)N2CCC([NH+]3CCCC3)CC2)c1)c1cccs1 ZINC000047399514 822575328 /nfs/dbraw/zinc/57/53/28/822575328.db2.gz GCGATQAGMHMSIV-UHFFFAOYSA-N 1 0 398.532 4.093 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)CCc1cncc(F)c1)c1ccccc1Cl ZINC000179913545 822575810 /nfs/dbraw/zinc/57/58/10/822575810.db2.gz PDNVMGKFQGYAAV-IBGZPJMESA-N 1 0 377.891 4.006 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CCCc2nc(-c3ccc(F)cc3)no2)c(OC)c1 ZINC000184090108 822576322 /nfs/dbraw/zinc/57/63/22/822576322.db2.gz CBVOQIUKVLMYKN-AWEZNQCLSA-N 1 0 385.439 4.176 20 0 GIADRO CCn1c2ccccc2c2cc(C[NH+]3CCC(NC(=O)C4CC4)CC3)ccc21 ZINC000179916842 822576692 /nfs/dbraw/zinc/57/66/92/822576692.db2.gz WURSLNDLLUYPKH-UHFFFAOYSA-N 1 0 375.516 4.305 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CCCc2nc(-c3ccc(F)cc3)no2)cc1OC ZINC000184092652 822576737 /nfs/dbraw/zinc/57/67/37/822576737.db2.gz SCPWUJGIUAJMFH-CQSZACIVSA-N 1 0 385.439 4.176 20 0 GIADRO C[C@H](F)CCNC(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000455036009 822576806 /nfs/dbraw/zinc/57/68/06/822576806.db2.gz HBSJSHDVUTXHIC-PXNSSMCTSA-N 1 0 375.532 4.067 20 0 GIADRO C[C@H](CC(=O)NCCCC[N@@H+]1CCCC[C@H]1C)C(=O)c1ccc(Cl)cc1 ZINC000179918491 822576854 /nfs/dbraw/zinc/57/68/54/822576854.db2.gz YQDZRMRZEQDVAW-IAGOWNOFSA-N 1 0 378.944 4.320 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc(C3SCCS3)cc2)C1 ZINC000047415941 822577215 /nfs/dbraw/zinc/57/72/15/822577215.db2.gz JDAUZYVRABLSOY-IYBDPMFKSA-N 1 0 378.607 4.263 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1cc(-c2ccccc2Cl)on1)c1cccs1 ZINC000047441662 822579428 /nfs/dbraw/zinc/57/94/28/822579428.db2.gz FBZOVGIEDWMJKC-OAHLLOKOSA-N 1 0 375.881 4.089 20 0 GIADRO CC1CC[NH+](CCc2cccc(NC(=O)N3C[C@@]4(CCCO4)[C@@H]3C3CC3)c2)CC1 ZINC000455051802 822580892 /nfs/dbraw/zinc/58/08/92/822580892.db2.gz FLIOSZZKOGOAQN-UPVQGACJSA-N 1 0 397.563 4.136 20 0 GIADRO Cc1noc(C)c1COc1cccc(C(=O)Nc2cccc(C[NH+](C)C)c2)c1 ZINC000047452966 822581031 /nfs/dbraw/zinc/58/10/31/822581031.db2.gz QRXOCDGQRVQTTK-UHFFFAOYSA-N 1 0 379.460 4.184 20 0 GIADRO CC1CC[NH+](CCc2cccc(NC(=O)N(C)[C@@H](CO)c3ccccc3)c2)CC1 ZINC000455055193 822581540 /nfs/dbraw/zinc/58/15/40/822581540.db2.gz JVYWRGXMEQQLIQ-QHCPKHFHSA-N 1 0 395.547 4.158 20 0 GIADRO Cc1ncsc1CCNC(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000455062781 822582714 /nfs/dbraw/zinc/58/27/14/822582714.db2.gz RIIVKEMJHRUHHY-UHFFFAOYSA-N 1 0 386.565 4.090 20 0 GIADRO O=C(Nc1cccc(OCc2ccc(F)cc2)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000047498875 822584421 /nfs/dbraw/zinc/58/44/21/822584421.db2.gz ZIMDQWYYFVCECF-UHFFFAOYSA-N 1 0 397.494 4.497 20 0 GIADRO CSc1ccc([C@H](CNC(=O)Nc2cccc(N(C)C)c2C)[NH+](C)C)cc1 ZINC000455071124 822584592 /nfs/dbraw/zinc/58/45/92/822584592.db2.gz IYOYIMOGNQTIPU-FQEVSTJZSA-N 1 0 386.565 4.207 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)c1 ZINC000047505583 822585150 /nfs/dbraw/zinc/58/51/50/822585150.db2.gz LIXBVBQHVUHMKB-UHFFFAOYSA-N 1 0 382.895 4.473 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CCCNC(=O)c2ccsc2)cc1 ZINC000047522628 822586832 /nfs/dbraw/zinc/58/68/32/822586832.db2.gz YDHSTOISYJSQFQ-KRWDZBQOSA-N 1 0 399.560 4.271 20 0 GIADRO C[C@H](CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)NC(=O)c1ccccc1 ZINC000047522483 822586864 /nfs/dbraw/zinc/58/68/64/822586864.db2.gz MNYARUFYCFNGKT-RTBURBONSA-N 1 0 393.531 4.208 20 0 GIADRO COc1ccccc1-c1cc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000047528104 822587567 /nfs/dbraw/zinc/58/75/67/822587567.db2.gz RUNXVKQQHUCHQY-UHFFFAOYSA-N 1 0 377.444 4.198 20 0 GIADRO C[C@@H](CCCO)[NH2+][C@@H](c1ccc(F)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000184161259 822588316 /nfs/dbraw/zinc/58/83/16/822588316.db2.gz ZWJYJYCWQBSLRB-JXFKEZNVSA-N 1 0 394.531 4.265 20 0 GIADRO Cc1ncc([C@H](C)[NH2+][C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)s1 ZINC000179972171 822588259 /nfs/dbraw/zinc/58/82/59/822588259.db2.gz ZQHWMXIYMPJQIT-LRDDRELGSA-N 1 0 397.466 4.312 20 0 GIADRO CC(C)COC[C@@H]([NH2+]C[C@H](O)c1cccc(Br)c1)c1ccco1 ZINC000184169341 822589837 /nfs/dbraw/zinc/58/98/37/822589837.db2.gz OFYDQEHQCBRHHD-SJORKVTESA-N 1 0 382.298 4.079 20 0 GIADRO CCCn1c(C[NH2+]CCCc2nc(-c3ccc(F)cc3)no2)nc2ccccc21 ZINC000184170320 822590068 /nfs/dbraw/zinc/59/00/68/822590068.db2.gz SNVCODNHTKNMEA-UHFFFAOYSA-N 1 0 393.466 4.358 20 0 GIADRO Cn1cc(C[NH2+]CCCc2nc(-c3ccc(F)cc3)no2)c(C2CCCCC2)n1 ZINC000184171821 822590328 /nfs/dbraw/zinc/59/03/28/822590328.db2.gz NRJPPTXWIJRGFG-UHFFFAOYSA-N 1 0 397.498 4.379 20 0 GIADRO Fc1ccc(-c2noc(CCC[NH2+]Cc3c(F)cccc3N3CCCC3)n2)cc1 ZINC000184175855 822591216 /nfs/dbraw/zinc/59/12/16/822591216.db2.gz LNBIJRANBLFBFQ-UHFFFAOYSA-N 1 0 398.457 4.337 20 0 GIADRO CCc1ccccc1NC(=S)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000047567309 822591343 /nfs/dbraw/zinc/59/13/43/822591343.db2.gz XXUDUNCMVDVPEN-QZTJIDSGSA-N 1 0 397.588 4.345 20 0 GIADRO CC[C@@H](NC(=O)NCCCCC[NH+]1CCCC1)c1nc(C(F)(F)F)cs1 ZINC000455117675 822591481 /nfs/dbraw/zinc/59/14/81/822591481.db2.gz OGJNNEBDORNDKZ-CYBMUJFWSA-N 1 0 392.491 4.178 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000179990934 822592049 /nfs/dbraw/zinc/59/20/49/822592049.db2.gz ZIUJBGZFMDCYJH-UHFFFAOYSA-N 1 0 385.939 4.427 20 0 GIADRO CCOc1ccc(C2=CCN(C(=O)NCCCCC[NH+]3CCCC3)CC2)cc1 ZINC000455123371 822592371 /nfs/dbraw/zinc/59/23/71/822592371.db2.gz ZDJBCQMXWAGBRQ-UHFFFAOYSA-N 1 0 385.552 4.150 20 0 GIADRO Cc1nc(-c2ccccc2)sc1NC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000455126181 822592955 /nfs/dbraw/zinc/59/29/55/822592955.db2.gz MYXAWWJVMNZVMK-HNNXBMFYSA-N 1 0 384.549 4.457 20 0 GIADRO CC(C)Oc1c(F)cc(NC(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)cc1F ZINC000455126760 822593168 /nfs/dbraw/zinc/59/31/68/822593168.db2.gz OKABYTCEWRZWEK-CQSZACIVSA-N 1 0 381.467 4.090 20 0 GIADRO COc1cc(OC)cc([C@@H]([NH2+][C@@H](C)Cc2ccc(Cl)cc2)c2nccn2C)c1 ZINC000180003318 822593777 /nfs/dbraw/zinc/59/37/77/822593777.db2.gz YQPWDLLZBYHQQJ-YCRPNKLZSA-N 1 0 399.922 4.401 20 0 GIADRO COc1ccc(NC(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)cc1OC(C)C ZINC000184203894 822595548 /nfs/dbraw/zinc/59/55/48/822595548.db2.gz NRTMFOOIQYSPHC-GOSISDBHSA-N 1 0 389.471 4.046 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Nc1cccc(COCc2ccco2)c1)c1ccsc1 ZINC000047603452 822595948 /nfs/dbraw/zinc/59/59/48/822595948.db2.gz HQKKFNFBKQYHAA-FQEVSTJZSA-N 1 0 399.516 4.482 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc3ncccc32)cc1OC ZINC000047608687 822596290 /nfs/dbraw/zinc/59/62/90/822596290.db2.gz YHYHCYYWPSJAIK-HOTGVXAUSA-N 1 0 393.487 4.320 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2c(F)cccc2F)cc1OC ZINC000047609061 822596487 /nfs/dbraw/zinc/59/64/87/822596487.db2.gz PVUAWVOGQOHJML-CHWSQXEVSA-N 1 0 378.419 4.050 20 0 GIADRO CC(F)(F)CCNC(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000455145397 822596538 /nfs/dbraw/zinc/59/65/38/822596538.db2.gz RPTGSFUMCPNFGR-IBGZPJMESA-N 1 0 393.522 4.364 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NCc2ccccc2Cl)cc1OC ZINC000047609067 822596537 /nfs/dbraw/zinc/59/65/37/822596537.db2.gz PLIADGKLSXUWER-GJZGRUSLSA-N 1 0 390.911 4.103 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cc(F)ccc2F)cc1OC ZINC000047609077 822596591 /nfs/dbraw/zinc/59/65/91/822596591.db2.gz UEZFBDKWFRIYEF-QWHCGFSZSA-N 1 0 378.419 4.050 20 0 GIADRO C[C@@H]1CN(C(=O)Nc2ccc(Cl)cc2OC(F)F)CC[N@@H+](C2CCC2)C1 ZINC000455146011 822596764 /nfs/dbraw/zinc/59/67/64/822596764.db2.gz OXXGRLAVOLBKIQ-LBPRGKRZSA-N 1 0 387.858 4.280 20 0 GIADRO Cc1cc(-c2nc(C3CC3)no2)ccc1NC(=O)NCCCCC[NH+]1CCCC1 ZINC000455150305 822597373 /nfs/dbraw/zinc/59/73/73/822597373.db2.gz WIQAUJHSWGBHBJ-UHFFFAOYSA-N 1 0 397.523 4.310 20 0 GIADRO Cc1cc(Br)c(F)cc1NC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000455151885 822597840 /nfs/dbraw/zinc/59/78/40/822597840.db2.gz AMGHAVLPXRIEJB-UHFFFAOYSA-N 1 0 384.293 4.035 20 0 GIADRO Cc1ccc([C@H]([NH2+]CCc2cccc(F)c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000180019960 822598179 /nfs/dbraw/zinc/59/81/79/822598179.db2.gz PGVOCRVSPQCSHF-QHCPKHFHSA-N 1 0 397.515 4.459 20 0 GIADRO CC(C)C[NH+]1CCC(NC(=O)C2(c3ccc(Br)cc3)CCC2)CC1 ZINC000047634863 822598343 /nfs/dbraw/zinc/59/83/43/822598343.db2.gz IXQWBHJBBOFQFW-UHFFFAOYSA-N 1 0 393.369 4.107 20 0 GIADRO CC[NH+](CC)CC1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)CC1 ZINC000455155899 822598757 /nfs/dbraw/zinc/59/87/57/822598757.db2.gz KTIYZJZCFAWSSJ-RBUKOAKNSA-N 1 0 393.369 4.133 20 0 GIADRO CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3ccc(C(=O)OC(C)C)cc3)ccc2NC1=O ZINC000180025173 822599424 /nfs/dbraw/zinc/59/94/24/822599424.db2.gz PLPDYAZANQGYCD-YWZLYKJASA-N 1 0 396.487 4.212 20 0 GIADRO CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3ccc(C(=O)OC(C)C)cc3)ccc2NC1=O ZINC000180025128 822599446 /nfs/dbraw/zinc/59/94/46/822599446.db2.gz PLPDYAZANQGYCD-FOIQADDNSA-N 1 0 396.487 4.212 20 0 GIADRO CC(=O)c1ccc(NC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000180025543 822599612 /nfs/dbraw/zinc/59/96/12/822599612.db2.gz VYGCEGQHWNZWCK-UHFFFAOYSA-N 1 0 380.492 4.055 20 0 GIADRO COc1ccccc1[C@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)C1CCCC1 ZINC000180026643 822599772 /nfs/dbraw/zinc/59/97/72/822599772.db2.gz DRYJYSGHXJQOFM-XMMPIXPASA-N 1 0 396.531 4.183 20 0 GIADRO COCCOc1ccc(N[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1Cl ZINC000180027132 822599791 /nfs/dbraw/zinc/59/97/91/822599791.db2.gz LQSYEKAUMZJIMJ-UZLBHIALSA-N 1 0 389.927 4.083 20 0 GIADRO COc1cc(C)c(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)cc1F ZINC000455166279 822600652 /nfs/dbraw/zinc/60/06/52/822600652.db2.gz SUEDEFSIEKSVHI-INIZCTEOSA-N 1 0 385.483 4.129 20 0 GIADRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3cc(F)cc4cccnc43)ccc2NC1=O ZINC000180031629 822601000 /nfs/dbraw/zinc/60/10/00/822601000.db2.gz NEROAKDISUJNGC-YJYMSZOUSA-N 1 0 379.435 4.334 20 0 GIADRO Cc1nccn1-c1ccc(C[NH2+][C@H]2CCc3c2cccc3Br)cn1 ZINC000180033745 822601606 /nfs/dbraw/zinc/60/16/06/822601606.db2.gz CMQCUSCPHNZCJF-SFHVURJKSA-N 1 0 383.293 4.115 20 0 GIADRO O=C1CCCN1Cc1ccc(C[NH2+][C@@H]2CCc3c2cccc3Br)cc1 ZINC000180036911 822602221 /nfs/dbraw/zinc/60/22/21/822602221.db2.gz BSDZAZCTLIBKTE-HXUWFJFHSA-N 1 0 399.332 4.349 20 0 GIADRO CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccc(OC)cc2OC)cc1 ZINC000047724635 822604205 /nfs/dbraw/zinc/60/42/05/822604205.db2.gz ANWUMXRAJQNCEH-MRXNPFEDSA-N 1 0 385.508 4.428 20 0 GIADRO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H](C)C[S@@](C)=O)cc1C ZINC000184256331 822604237 /nfs/dbraw/zinc/60/42/37/822604237.db2.gz RAKWKOHEXCIUOO-XRHLQHRESA-N 1 0 381.545 4.013 20 0 GIADRO CN1CC[NH+](CCC(C)(C)NC(=O)Nc2ccc(SC(C)(C)C)cc2)CC1 ZINC000184264104 822605510 /nfs/dbraw/zinc/60/55/10/822605510.db2.gz TZKCOZIITYOTPJ-UHFFFAOYSA-N 1 0 392.613 4.115 20 0 GIADRO Cc1cnc(CC[N@@H+](C)Cc2cnn(-c3ccc(Br)cc3)c2)s1 ZINC000180058593 822606078 /nfs/dbraw/zinc/60/60/78/822606078.db2.gz TYCDHXSXGHGYDJ-UHFFFAOYSA-N 1 0 391.338 4.074 20 0 GIADRO C[C@@H](C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+]Cc1nccn1C(F)F ZINC000180065799 822607646 /nfs/dbraw/zinc/60/76/46/822607646.db2.gz BGLUUCOXMBTDKP-GJZGRUSLSA-N 1 0 386.487 4.326 20 0 GIADRO Cc1cc2[nH]c(C(=O)Nc3ccc(C)c(NC(=O)CC[NH+](C)C)c3)cc2c(C)c1 ZINC000184280174 822607947 /nfs/dbraw/zinc/60/79/47/822607947.db2.gz LKCHFAWDAFCKLI-UHFFFAOYSA-N 1 0 392.503 4.236 20 0 GIADRO O=C(Nc1ccc(-n2cccn2)c(F)c1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000047780991 822608678 /nfs/dbraw/zinc/60/86/78/822608678.db2.gz UYSHRIYRCRVSSR-UHFFFAOYSA-N 1 0 399.514 4.131 20 0 GIADRO CC(C)Oc1ccc([C@@H](C)NC(=O)Nc2ccccc2N2CC[NH+](C)CC2)cc1 ZINC000047797071 822609574 /nfs/dbraw/zinc/60/95/74/822609574.db2.gz QEDRSCMSWBCRFZ-GOSISDBHSA-N 1 0 396.535 4.108 20 0 GIADRO COc1ccccc1N1CC[C@H](C[NH2+][C@H](C)c2nc3ccc(Cl)cc3n2C)C1 ZINC000180077630 822610753 /nfs/dbraw/zinc/61/07/53/822610753.db2.gz SQWBXVXNFSYIFU-HZPDHXFCSA-N 1 0 398.938 4.412 20 0 GIADRO CCc1nn(C)cc1C[NH2+][C@H](C)c1ccc(OCc2ccccc2)c(OC)c1 ZINC000180086659 822612487 /nfs/dbraw/zinc/61/24/87/822612487.db2.gz ORFSHAUKXBVJOJ-QGZVFWFLSA-N 1 0 379.504 4.421 20 0 GIADRO CC(C)Sc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000180090490 822613464 /nfs/dbraw/zinc/61/34/64/822613464.db2.gz VFJPKDHAXCNUFC-LSDHHAIUSA-N 1 0 378.563 4.246 20 0 GIADRO C[C@@H]([NH2+]CC1(C)CCN(C(=O)OC(C)(C)C)CC1)c1ccc([S@@](C)=O)cc1 ZINC000184317362 822613744 /nfs/dbraw/zinc/61/37/44/822613744.db2.gz FRRVMSHWZOQQHZ-CHAGWJKLSA-N 1 0 394.581 4.112 20 0 GIADRO COc1ccc([C@H](NC(=O)Nc2ccccc2CC[NH+](C)C)c2ccco2)cc1 ZINC000455233617 822614220 /nfs/dbraw/zinc/61/42/20/822614220.db2.gz UJHVZNWAZDHXHT-QFIPXVFZSA-N 1 0 393.487 4.303 20 0 GIADRO Cc1ccc([C@@H]([NH2+]Cc2ccccc2CS(=O)(=O)NC(C)C)C2CC2)cc1 ZINC000180095151 822614268 /nfs/dbraw/zinc/61/42/68/822614268.db2.gz APUVQIOPIDEKDY-JOCHJYFZSA-N 1 0 386.561 4.064 20 0 GIADRO C[C@@H](NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cccc(OC(F)F)c1 ZINC000047871751 822615428 /nfs/dbraw/zinc/61/54/28/822615428.db2.gz GESBCHFVFGWKPP-PBHICJAKSA-N 1 0 393.434 4.078 20 0 GIADRO C[C@H](NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccc(OC(F)F)cc1 ZINC000047871761 822615642 /nfs/dbraw/zinc/61/56/42/822615642.db2.gz VSVHYAVSOPPOCQ-WMLDXEAASA-N 1 0 393.434 4.078 20 0 GIADRO COc1ccc2oc([C@H](C)[NH2+][C@H](C)C(=O)NCc3cccc(OC)c3)c(C)c2c1 ZINC000184329608 822616346 /nfs/dbraw/zinc/61/63/46/822616346.db2.gz PJMHYWHMJHOXCG-JKSUJKDBSA-N 1 0 396.487 4.114 20 0 GIADRO CSc1nnc(CCC[NH2+][C@@H](C)Cc2ccc(Cl)cc2)n1CC(C)C ZINC000180111186 822617501 /nfs/dbraw/zinc/61/75/01/822617501.db2.gz AZHZKADBDWLIPP-HNNXBMFYSA-N 1 0 380.989 4.463 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1cc(-c2cccc(F)c2)no1 ZINC000047905287 822618069 /nfs/dbraw/zinc/61/80/69/822618069.db2.gz YCDXHSRQCYIIDR-UHFFFAOYSA-N 1 0 397.450 4.454 20 0 GIADRO COc1ccc2oc([C@H](C)[NH2+]C[C@@H](O)COc3cccc4[nH]ccc43)c(C)c2c1 ZINC000184338893 822618089 /nfs/dbraw/zinc/61/80/89/822618089.db2.gz AZUZVOWGHYZUSD-JKSUJKDBSA-N 1 0 394.471 4.322 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(Cl)c(OC(F)F)c2)C1 ZINC000180115056 822618305 /nfs/dbraw/zinc/61/83/05/822618305.db2.gz OSEURMXFOPPOIV-LBPRGKRZSA-N 1 0 375.847 4.137 20 0 GIADRO Cc1cc(F)c(Br)cc1NC(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000455253632 822618493 /nfs/dbraw/zinc/61/84/93/822618493.db2.gz WWBGXSQPBAHJLS-GFCCVEGCSA-N 1 0 398.320 4.235 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]CC(=O)NC(C1CC1)C1CC1 ZINC000184343621 822619153 /nfs/dbraw/zinc/61/91/53/822619153.db2.gz WNHDIRNNCAINQE-LBPRGKRZSA-N 1 0 387.524 4.213 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2OC(F)F)C1)c1nc2ccccc2n1C ZINC000180120025 822619331 /nfs/dbraw/zinc/61/93/31/822619331.db2.gz LLSUYUVJBYGMMM-HUUCEWRRSA-N 1 0 386.446 4.104 20 0 GIADRO Cc1cnc([C@@H](C)C[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)s1 ZINC000184346907 822619797 /nfs/dbraw/zinc/61/97/97/822619797.db2.gz WFRCJFDPPFMNOQ-NSHDSACASA-N 1 0 391.338 4.497 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]CC(=O)N1CCC[C@H](C)C1 ZINC000184349663 822620261 /nfs/dbraw/zinc/62/02/61/822620261.db2.gz VOUVHKXOHMYNKI-UONOGXRCSA-N 1 0 375.513 4.167 20 0 GIADRO C[C@@H](NC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)c1ccc(OC(F)F)cc1 ZINC000047936041 822620923 /nfs/dbraw/zinc/62/09/23/822620923.db2.gz ISCJZGXJDNBJJV-ACJLOTCBSA-N 1 0 395.425 4.090 20 0 GIADRO CC(C)c1cnc(NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)s1 ZINC000455266093 822621406 /nfs/dbraw/zinc/62/14/06/822621406.db2.gz MPFAJJRNPMAHCL-UHFFFAOYSA-N 1 0 378.464 4.147 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2nc(-c3ccccc3Cl)ns2)[C@H](C)C1 ZINC000184360306 822622057 /nfs/dbraw/zinc/62/20/57/822622057.db2.gz RHDIDBLXYZYIHF-DOMZBBRYSA-N 1 0 393.944 4.053 20 0 GIADRO Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000047949240 822622121 /nfs/dbraw/zinc/62/21/21/822622121.db2.gz GVCCJYPCTNIIMW-UHFFFAOYSA-N 1 0 394.519 4.242 20 0 GIADRO CC[C@@H](NC(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1OC ZINC000047967894 822623029 /nfs/dbraw/zinc/62/30/29/822623029.db2.gz WHMBGDILURTNLB-OAQYLSRUSA-N 1 0 381.520 4.110 20 0 GIADRO Cc1ccccc1C(NC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C)c1ccccc1C ZINC000184372542 822623940 /nfs/dbraw/zinc/62/39/40/822623940.db2.gz ITDFOXTZUJRGSS-UGKGYDQZSA-N 1 0 379.548 4.374 20 0 GIADRO CCCc1c(NC(=O)NC(C)(C)CCC[NH+](C)C)cnn1-c1ccc(F)cc1 ZINC000455275492 822624478 /nfs/dbraw/zinc/62/44/78/822624478.db2.gz YEEADOLWKNEEHZ-UHFFFAOYSA-N 1 0 389.519 4.206 20 0 GIADRO CC[C@H](C)[C@H](NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)C(F)(F)F ZINC000455280332 822625693 /nfs/dbraw/zinc/62/56/93/822625693.db2.gz GBJXAQYYEHXTFU-AAEUAGOBSA-N 1 0 391.400 4.022 20 0 GIADRO CC[C@@H](C)[C@H](NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)C(F)(F)F ZINC000455280335 822625702 /nfs/dbraw/zinc/62/57/02/822625702.db2.gz GBJXAQYYEHXTFU-YPMHNXCESA-N 1 0 391.400 4.022 20 0 GIADRO CC[C@@H]([NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl)c1nc(C)cs1 ZINC000184388457 822626626 /nfs/dbraw/zinc/62/66/26/822626626.db2.gz WLVWVRJCBHEVOF-GXTWGEPZSA-N 1 0 375.321 4.239 20 0 GIADRO CC[C@@H]([NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl)c1nc(C)cs1 ZINC000184388493 822626651 /nfs/dbraw/zinc/62/66/51/822626651.db2.gz WLVWVRJCBHEVOF-TZMCWYRMSA-N 1 0 375.321 4.239 20 0 GIADRO CC[C@H]([NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl)c1nc(C)cs1 ZINC000184388439 822626657 /nfs/dbraw/zinc/62/66/57/822626657.db2.gz WLVWVRJCBHEVOF-JSGCOSHPSA-N 1 0 375.321 4.239 20 0 GIADRO COc1ccccc1NC(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000048050546 822626856 /nfs/dbraw/zinc/62/68/56/822626856.db2.gz XUYDWNGHEGVIOK-LJQANCHMSA-N 1 0 383.492 4.053 20 0 GIADRO Cc1cc(N2CCCC2)ccc1NC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000048055774 822627912 /nfs/dbraw/zinc/62/79/12/822627912.db2.gz FWBCRYBFXVALNF-OAQYLSRUSA-N 1 0 384.499 4.159 20 0 GIADRO C[C@@H](Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1ccc([S@@](C)=O)cc1 ZINC000180155678 822628584 /nfs/dbraw/zinc/62/85/84/822628584.db2.gz STIMCBXDMDJXGE-KWMCUTETSA-N 1 0 397.588 4.129 20 0 GIADRO O=C(Nc1ccc(Cl)cc1OC(F)F)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000184401511 822628877 /nfs/dbraw/zinc/62/88/77/822628877.db2.gz WCYFRAVKWFWWAJ-UHFFFAOYSA-N 1 0 387.858 4.424 20 0 GIADRO C[C@H](NC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1)c1cccnc1 ZINC000048068034 822628925 /nfs/dbraw/zinc/62/89/25/822628925.db2.gz YQTYLEPOZWMTHR-SFHVURJKSA-N 1 0 388.515 4.371 20 0 GIADRO C[N@@H+]1CC[C@H](NC(=O)c2ccc(C3SCCS3)cc2)[C@@H]1c1ccccc1 ZINC000180159525 822629434 /nfs/dbraw/zinc/62/94/34/822629434.db2.gz NZEREBYAUIXUDR-OALUTQOASA-N 1 0 384.570 4.340 20 0 GIADRO C[NH+]1CCN(c2cccc(Cl)c2CNc2ccc(-c3cnco3)cc2)CC1 ZINC000180160572 822629609 /nfs/dbraw/zinc/62/96/09/822629609.db2.gz LITKXWHGTZWONO-UHFFFAOYSA-N 1 0 382.895 4.359 20 0 GIADRO Cc1ccc([C@@H]([NH2+]Cc2cccc(OCC(=O)N(C)C)c2)c2ccccc2)cc1 ZINC000180159799 822629661 /nfs/dbraw/zinc/62/96/61/822629661.db2.gz LJBGQNVNTPCKPY-VWLOTQADSA-N 1 0 388.511 4.341 20 0 GIADRO COCc1ccccc1NC(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000048078652 822629799 /nfs/dbraw/zinc/62/97/99/822629799.db2.gz BGWSTWURVDXBQV-OAQYLSRUSA-N 1 0 397.519 4.190 20 0 GIADRO Cc1nn(C(C)(C)C)cc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000184412125 822630217 /nfs/dbraw/zinc/63/02/17/822630217.db2.gz BHVZPGILXCETJM-RBBKRZOGSA-N 1 0 394.563 4.073 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)NCCC[C@@H]2CCCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000184412761 822630450 /nfs/dbraw/zinc/63/04/50/822630450.db2.gz MYEKULUDMGUDSX-HJNYFJLDSA-N 1 0 387.568 4.030 20 0 GIADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1sccc1Br ZINC000048087622 822630921 /nfs/dbraw/zinc/63/09/21/822630921.db2.gz FNDCULJHNZBBGT-LBPRGKRZSA-N 1 0 385.352 4.139 20 0 GIADRO Cc1c(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cccc1N(C)C ZINC000180178008 822633189 /nfs/dbraw/zinc/63/31/89/822633189.db2.gz KCGVLVGNIPTTGW-XLIONFOSSA-N 1 0 380.536 4.236 20 0 GIADRO Cc1c(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)cnn1C(C)C ZINC000180179361 822633592 /nfs/dbraw/zinc/63/35/92/822633592.db2.gz XNLRYRWQSXOJME-UHFFFAOYSA-N 1 0 388.943 4.068 20 0 GIADRO Cc1c(NC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)cccc1N(C)C ZINC000180180563 822633700 /nfs/dbraw/zinc/63/37/00/822633700.db2.gz LUYBFNSRFXDVFT-GOSISDBHSA-N 1 0 380.536 4.189 20 0 GIADRO CC(C)OC(=O)NCc1ccc(NC2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000180188673 822635410 /nfs/dbraw/zinc/63/54/10/822635410.db2.gz ONSOUPYDPJTKHB-UHFFFAOYSA-N 1 0 387.446 4.150 20 0 GIADRO CC(C)[NH+]1CCC(NC(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)CC1 ZINC000048124592 822635985 /nfs/dbraw/zinc/63/59/85/822635985.db2.gz PHCSSCVQHAARDJ-UHFFFAOYSA-N 1 0 398.482 4.072 20 0 GIADRO C[N@@H+]1CC[C@H](NC(=O)C[C@@H](c2ccccc2)C(F)(F)F)[C@@H]1c1ccccc1 ZINC000180193662 822636511 /nfs/dbraw/zinc/63/65/11/822636511.db2.gz SGYMLORTFSRJOS-BJLQDIEVSA-N 1 0 376.422 4.284 20 0 GIADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)Nc1cccc(N(C)C)c1C ZINC000180195263 822637048 /nfs/dbraw/zinc/63/70/48/822637048.db2.gz JIOMQVHYYCMWSN-UHFFFAOYSA-N 1 0 388.581 4.498 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)Nc2ccc3c(c2)N(C)CC3)CC1 ZINC000180197311 822637476 /nfs/dbraw/zinc/63/74/76/822637476.db2.gz DQJCBXNPJNEUJB-SFHVURJKSA-N 1 0 384.568 4.187 20 0 GIADRO CN(Cc1cn(C)nc1-c1cccs1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000180197437 822637510 /nfs/dbraw/zinc/63/75/10/822637510.db2.gz YSMRLOAPZCHQFE-LJQANCHMSA-N 1 0 380.561 4.103 20 0 GIADRO C[C@H]1CCC[N@H+](CCCCNC(=O)Nc2ccc(N3CCCC3)c(F)c2)C1 ZINC000048139358 822637813 /nfs/dbraw/zinc/63/78/13/822637813.db2.gz HRGNHLMWCBCTDR-KRWDZBQOSA-N 1 0 376.520 4.060 20 0 GIADRO O=C(NCCCCC[NH+]1CCCCC1)N1CC[C@@H](c2c(F)cccc2F)C1 ZINC000184452675 822637848 /nfs/dbraw/zinc/63/78/48/822637848.db2.gz GXROCSCLSKUYQW-QGZVFWFLSA-N 1 0 379.495 4.120 20 0 GIADRO CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2ccc(SC(=O)N(C)C)cc2)C1 ZINC000184452917 822637862 /nfs/dbraw/zinc/63/78/62/822637862.db2.gz SHCXQHTYGGKBEY-KRWDZBQOSA-N 1 0 378.538 4.014 20 0 GIADRO C[C@H]([NH2+]C1CCN([C@@H](C)c2ccncc2)CC1)c1nc2ccc(Cl)cc2n1C ZINC000180199248 822637907 /nfs/dbraw/zinc/63/79/07/822637907.db2.gz MCIWYQXOYZUNQJ-HOTGVXAUSA-N 1 0 397.954 4.498 20 0 GIADRO Cc1cc(C(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)nn1-c1ccc(C)cc1 ZINC000180201175 822638402 /nfs/dbraw/zinc/63/84/02/822638402.db2.gz CXKQUMOSHNAPSP-NRFANRHFSA-N 1 0 394.563 4.073 20 0 GIADRO C[N@@H+]1CC[C@@H](NC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)[C@H]1c1ccccc1 ZINC000180201856 822638546 /nfs/dbraw/zinc/63/85/46/822638546.db2.gz PGTCQDSRKSSIRU-WOJBJXKFSA-N 1 0 395.503 4.209 20 0 GIADRO C[C@@H]([NH2+]CCCNc1cccc(F)c1)c1ccc(OCc2nccn2C)cc1 ZINC000184461912 822639595 /nfs/dbraw/zinc/63/95/95/822639595.db2.gz GLWUSHOQCHKOIL-QGZVFWFLSA-N 1 0 382.483 4.291 20 0 GIADRO CC[C@@H](C)c1ccccc1OCC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180208206 822639898 /nfs/dbraw/zinc/63/98/98/822639898.db2.gz SWOZRRDLBPYWOC-GOSISDBHSA-N 1 0 381.520 4.007 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)CCCOc2ccccc2Br)c1 ZINC000048148552 822639945 /nfs/dbraw/zinc/63/99/45/822639945.db2.gz FRCBYBDAJWOLMH-UHFFFAOYSA-N 1 0 391.309 4.308 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)Nc1ccccc1-n1cccn1 ZINC000048149122 822639957 /nfs/dbraw/zinc/63/99/57/822639957.db2.gz ZUGKCJGFIUIGOC-UHFFFAOYSA-N 1 0 377.492 4.034 20 0 GIADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)Nc3c4c(ccc3Cl)CC(C)(C)O4)C2)C1 ZINC000455360308 822640303 /nfs/dbraw/zinc/64/03/03/822640303.db2.gz UNDKRRHWUSDHNM-FQEVSTJZSA-N 1 0 377.916 4.003 20 0 GIADRO C[C@@H]([NH2+]CCCCN1C(=O)c2ccccc2C1=O)c1nc(C(C)(C)C)cs1 ZINC000184464365 822640446 /nfs/dbraw/zinc/64/04/46/822640446.db2.gz FYISGQBVLJBOAX-CQSZACIVSA-N 1 0 385.533 4.168 20 0 GIADRO CCCc1ccc(C(=O)CCC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000180215357 822640958 /nfs/dbraw/zinc/64/09/58/822640958.db2.gz VVLOMRDFTWLSLE-UHFFFAOYSA-N 1 0 393.531 4.030 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000180215522 822641083 /nfs/dbraw/zinc/64/10/83/822641083.db2.gz FTSSCVNELKXRGA-UHFFFAOYSA-N 1 0 396.878 4.036 20 0 GIADRO COc1ccc(C[N@H+](Cc2cc(-c3cnn(C)c3C)no2)[C@H](C)C2CC2)cc1 ZINC000184468788 822641474 /nfs/dbraw/zinc/64/14/74/822641474.db2.gz YAPVPLMDCHRFIN-OAHLLOKOSA-N 1 0 380.492 4.193 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000180223699 822642689 /nfs/dbraw/zinc/64/26/89/822642689.db2.gz IICUESNYOSHZTI-SJORKVTESA-N 1 0 387.886 4.010 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)N(C)Cc2cc(F)c(F)c(F)c2)cc1 ZINC000180229699 822644166 /nfs/dbraw/zinc/64/41/66/822644166.db2.gz HLALWYYQYCZJNP-UHFFFAOYSA-N 1 0 393.453 4.287 20 0 GIADRO CCSc1ccc(Cl)cc1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180230441 822644484 /nfs/dbraw/zinc/64/44/84/822644484.db2.gz GWUUZTGKAMSZFN-UHFFFAOYSA-N 1 0 389.952 4.493 20 0 GIADRO COc1ccc(NC(=O)[C@@H]([NH2+]C[C@H](C)c2nccs2)c2ccccc2)cc1 ZINC000184489582 822644652 /nfs/dbraw/zinc/64/46/52/822644652.db2.gz XYQGJASNQYORMK-KXBFYZLASA-N 1 0 381.501 4.225 20 0 GIADRO CC1(C)CN(C(=O)Nc2cncc(F)c2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000455387283 822644840 /nfs/dbraw/zinc/64/48/40/822644840.db2.gz JFEIIUUDKBIFQO-OAQYLSRUSA-N 1 0 396.510 4.375 20 0 GIADRO COC[C@H]([NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1)c1ccc(F)c(F)c1 ZINC000180234580 822645219 /nfs/dbraw/zinc/64/52/19/822645219.db2.gz WODNHVAKXFLKTI-RBZFPXEDSA-N 1 0 389.446 4.287 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)Nc1cccc(Br)c1Cl ZINC000455395594 822646116 /nfs/dbraw/zinc/64/61/16/822646116.db2.gz KXOWDIHFUFGEFU-UHFFFAOYSA-N 1 0 376.726 4.344 20 0 GIADRO O=c1cc(C[NH2+]C2(c3ccc(Br)cc3)CC2)c2ccc(O)cc2o1 ZINC000180244654 822647259 /nfs/dbraw/zinc/64/72/59/822647259.db2.gz LIBIKMHVHNDAHP-UHFFFAOYSA-N 1 0 386.245 4.040 20 0 GIADRO COc1ccc(CC[C@H](C)[NH2+][C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1 ZINC000184511434 822648151 /nfs/dbraw/zinc/64/81/51/822648151.db2.gz XQTQBCBBXXJKDS-QMHKHESXSA-N 1 0 384.495 4.239 20 0 GIADRO Cc1ccc(NC(=O)C(C)C)cc1NC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000048254844 822648612 /nfs/dbraw/zinc/64/86/12/822648612.db2.gz ZDIKPSKCMMNBRR-GOSISDBHSA-N 1 0 388.556 4.366 20 0 GIADRO CC(=O)Nc1ccc(C)c(NC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000048269795 822650296 /nfs/dbraw/zinc/65/02/96/822650296.db2.gz BCIDBRNUPVQVGG-UHFFFAOYSA-N 1 0 386.540 4.073 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1ccc2c(c1)CN(CC(F)F)C2 ZINC000455424081 822651279 /nfs/dbraw/zinc/65/12/79/822651279.db2.gz CCXHEWKIVCFXRC-MRXNPFEDSA-N 1 0 394.510 4.043 20 0 GIADRO CC(=O)Nc1ccc(C)c(NC(=O)NCC2([NH+]3CCCCC3)CCCCC2)c1 ZINC000048280382 822651315 /nfs/dbraw/zinc/65/13/15/822651315.db2.gz QGZHQRDOPKLDLX-UHFFFAOYSA-N 1 0 386.540 4.264 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NCC(C)(C)c1ccccc1 ZINC000180268732 822651538 /nfs/dbraw/zinc/65/15/38/822651538.db2.gz TYSRNXGYGAOGBT-UHFFFAOYSA-N 1 0 394.563 4.307 20 0 GIADRO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2N(C)C)c2ccc(F)cc2C1 ZINC000184532936 822652317 /nfs/dbraw/zinc/65/23/17/822652317.db2.gz GXXOKXQZNRILGN-LHSJRXKWSA-N 1 0 387.474 4.175 20 0 GIADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)Nc3cccc(COc4ccc(F)cc4)c3)C2)C1 ZINC000455432138 822652642 /nfs/dbraw/zinc/65/26/42/822652642.db2.gz DVTQIVZSPBRWQJ-QHCPKHFHSA-N 1 0 397.494 4.354 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CSCc2ccccn2)cc1 ZINC000048323258 822653684 /nfs/dbraw/zinc/65/36/84/822653684.db2.gz UHMPSMCWQBFISA-SFHVURJKSA-N 1 0 383.561 4.006 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CCSCc2ccccn2)C1 ZINC000048323685 822653858 /nfs/dbraw/zinc/65/38/58/822653858.db2.gz CSDQAFFEWYLGJM-IBGZPJMESA-N 1 0 397.588 4.253 20 0 GIADRO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C1CCN(C(=O)c2ccccc2)CC1)CC3 ZINC000180280948 822654284 /nfs/dbraw/zinc/65/42/84/822654284.db2.gz RYHJZYBESKXLET-FQEVSTJZSA-N 1 0 387.527 4.228 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]CC(=O)NCc1cccs1 ZINC000184546759 822655069 /nfs/dbraw/zinc/65/50/69/822655069.db2.gz ZEGYJLKXQNVPDJ-AWEZNQCLSA-N 1 0 385.558 4.455 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(C)c(NC(C)=O)c1)c1ccsc1 ZINC000048362183 822656524 /nfs/dbraw/zinc/65/65/24/822656524.db2.gz NVGRINBMIZXYMD-IBGZPJMESA-N 1 0 388.537 4.220 20 0 GIADRO C[C@@H](Oc1ccccc1NC(=O)NC(C)(C)CCC[NH+](C)C)C(F)(F)F ZINC000455451834 822657035 /nfs/dbraw/zinc/65/70/35/822657035.db2.gz UWPXJHRNNILSSI-CYBMUJFWSA-N 1 0 375.435 4.258 20 0 GIADRO C[C@@H]([NH2+]Cc1ccn(-c2ccccc2)n1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000180296891 822658549 /nfs/dbraw/zinc/65/85/49/822658549.db2.gz VUBNKXYDOLZDCI-NTKDMRAZSA-N 1 0 391.515 4.287 20 0 GIADRO Cc1ccnn1-c1ccccc1NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000184569644 822658961 /nfs/dbraw/zinc/65/89/61/822658961.db2.gz YWWFRPPVVCJSTN-ICSRJNTNSA-N 1 0 395.551 4.299 20 0 GIADRO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3scnc3C3CCCC3)C2)CC1 ZINC000184572823 822659731 /nfs/dbraw/zinc/65/97/31/822659731.db2.gz ICWIFGKRHGGJIF-QGZVFWFLSA-N 1 0 375.582 4.385 20 0 GIADRO C[C@H](CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(C(F)(F)F)c1 ZINC000455468622 822660517 /nfs/dbraw/zinc/66/05/17/822660517.db2.gz FPBSXTAFTNQCRZ-TZUVLKIQSA-N 1 0 383.458 4.123 20 0 GIADRO O[C@H](C[NH2+]C1CCN(Cc2ccccn2)CC1)c1ccc(-c2ccccc2)cc1 ZINC000184578982 822660542 /nfs/dbraw/zinc/66/05/42/822660542.db2.gz JGMOEBAEOFTQJW-RUZDIDTESA-N 1 0 387.527 4.036 20 0 GIADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Nc1ccc2nc(-c3ccccn3)oc2c1 ZINC000180308849 822661100 /nfs/dbraw/zinc/66/11/00/822661100.db2.gz MYEGLFGNQOGLJW-QGZVFWFLSA-N 1 0 393.491 4.228 20 0 GIADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1ccc2nc(-c3ccccn3)oc2c1 ZINC000180308866 822661186 /nfs/dbraw/zinc/66/11/86/822661186.db2.gz MYEGLFGNQOGLJW-KRWDZBQOSA-N 1 0 393.491 4.228 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(-c2ccccc2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000184586875 822661949 /nfs/dbraw/zinc/66/19/49/822661949.db2.gz SUMLJEOMSMLPER-UZUQRXQVSA-N 1 0 395.524 4.141 20 0 GIADRO CCCC[NH+]1CCC(NC(=O)C(CC)(CC)c2ccc(OC)c(OC)c2)CC1 ZINC000184592273 822662749 /nfs/dbraw/zinc/66/27/49/822662749.db2.gz XVMQJVKXBQYMFJ-UHFFFAOYSA-N 1 0 390.568 4.142 20 0 GIADRO Cc1c(NC(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)cccc1-c1ncco1 ZINC000455483842 822663348 /nfs/dbraw/zinc/66/33/48/822663348.db2.gz HEGHVCVLRRRWQK-OXQOHEQNSA-N 1 0 378.476 4.463 20 0 GIADRO CN(C)C(=O)CC1CC[NH+](Cc2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC000180329872 822664400 /nfs/dbraw/zinc/66/44/00/822664400.db2.gz MHHIWDFODKYIQS-UHFFFAOYSA-N 1 0 384.495 4.095 20 0 GIADRO CC1(C(=O)Nc2cccc(N3CCCC3=O)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000184603957 822664512 /nfs/dbraw/zinc/66/45/12/822664512.db2.gz HIKOEZHXQCBREC-UHFFFAOYSA-N 1 0 391.515 4.054 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1c(C)cc(C)nc1C)c1cccc(OC)c1 ZINC000455490730 822664783 /nfs/dbraw/zinc/66/47/83/822664783.db2.gz XKJJVRITWJHDAL-FQEVSTJZSA-N 1 0 384.524 4.220 20 0 GIADRO Cc1c(NC(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)cccc1-c1ncco1 ZINC000455495914 822665728 /nfs/dbraw/zinc/66/57/28/822665728.db2.gz WMPCDGQGSZBPJN-MRXNPFEDSA-N 1 0 378.476 4.292 20 0 GIADRO C[C@@H](CNC(=O)Nc1cccc(NC(=O)c2ccccc2)c1)[N@@H+]1CCCC[C@@H]1C ZINC000048480200 822666475 /nfs/dbraw/zinc/66/64/75/822666475.db2.gz PEAAZDZFWAZJGT-ROUUACIJSA-N 1 0 394.519 4.323 20 0 GIADRO COc1ccc(OC)c(C[N@H+](Cc2cc(-c3cnn(C)c3C)no2)C(C)(C)C)c1 ZINC000184620097 822666778 /nfs/dbraw/zinc/66/67/78/822666778.db2.gz QTJLMBCIAHGCPD-UHFFFAOYSA-N 1 0 398.507 4.201 20 0 GIADRO C[C@H](Sc1nc2ccccc2s1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000180350448 822668121 /nfs/dbraw/zinc/66/81/21/822668121.db2.gz JPKQBPREQVYPJG-LBPRGKRZSA-N 1 0 377.579 4.202 20 0 GIADRO CC1(C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000184633637 822668679 /nfs/dbraw/zinc/66/86/79/822668679.db2.gz JXPCVIPMPDOFFN-QFIPXVFZSA-N 1 0 396.506 4.028 20 0 GIADRO COc1ccc([C@@H]([NH2+]Cc2cccc(CS(C)(=O)=O)c2)c2ccccc2)cc1 ZINC000180353238 822668800 /nfs/dbraw/zinc/66/88/00/822668800.db2.gz FFOXDOVDMUHLPT-QHCPKHFHSA-N 1 0 395.524 4.119 20 0 GIADRO CCOc1cccc2cc([C@H](C)[NH2+]CC(=O)Nc3cc(C)ccc3OC)oc21 ZINC000180354708 822668959 /nfs/dbraw/zinc/66/89/59/822668959.db2.gz SLRSYGHUZSGWTG-HNNXBMFYSA-N 1 0 382.460 4.438 20 0 GIADRO C[C@H](NC1CC[NH+](Cc2ccccc2)CC1)c1nc(-c2cccc(F)c2)no1 ZINC000184639537 822669535 /nfs/dbraw/zinc/66/95/35/822669535.db2.gz ADBREJXLFGUJEC-INIZCTEOSA-N 1 0 380.467 4.191 20 0 GIADRO CC[N@@H+](Cc1cn(C)nc1-c1cccs1)CC1CCN(c2ccccn2)CC1 ZINC000180367911 822671037 /nfs/dbraw/zinc/67/10/37/822671037.db2.gz UDXKMIWYHLKTDS-UHFFFAOYSA-N 1 0 395.576 4.282 20 0 GIADRO COc1ccc(NC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)c(C(F)(F)F)c1 ZINC000048549224 822671454 /nfs/dbraw/zinc/67/14/54/822671454.db2.gz CDDAYLDKVLBLPJ-CQSZACIVSA-N 1 0 387.446 4.348 20 0 GIADRO O=c1cc(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2)nc2sccn21 ZINC000180375393 822671977 /nfs/dbraw/zinc/67/19/77/822671977.db2.gz RFYAROZUNZAQRK-FQEVSTJZSA-N 1 0 375.497 4.220 20 0 GIADRO CCc1ccccc1NC(=O)C[NH2+][C@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000180377194 822672176 /nfs/dbraw/zinc/67/21/76/822672176.db2.gz DFQBUAZAKMBWLS-OAHLLOKOSA-N 1 0 380.467 4.172 20 0 GIADRO COc1ccc([C@@H](C[NH2+][C@@H](C)c2cnc3ccsc3c2)N(C)C)cc1OC ZINC000180379406 822672877 /nfs/dbraw/zinc/67/28/77/822672877.db2.gz NYONWFMJYOZEPC-KBXCAEBGSA-N 1 0 385.533 4.267 20 0 GIADRO COc1ccc([C@@H](C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)N(C)C)cc1OC ZINC000180381785 822673104 /nfs/dbraw/zinc/67/31/04/822673104.db2.gz JOBOTUNFHIKFOZ-VQTJNVASSA-N 1 0 396.531 4.343 20 0 GIADRO CC1(C(=O)NCC2(c3ccc(F)cc3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000184667046 822673111 /nfs/dbraw/zinc/67/31/11/822673111.db2.gz JRTFPYURJJYUOT-UHFFFAOYSA-N 1 0 380.507 4.276 20 0 GIADRO CC(C)[NH+]1CCC(N[C@@H](C)c2ccc(OC[C@@H]3CCCCO3)c(F)c2)CC1 ZINC000180402067 822675995 /nfs/dbraw/zinc/67/59/95/822675995.db2.gz CDIVQVCGNQKUAS-PXNSSMCTSA-N 1 0 378.532 4.297 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(-n2ccnc2)cc1 ZINC000180408683 822676612 /nfs/dbraw/zinc/67/66/12/822676612.db2.gz KXFVHLJWHCMUJU-IBGZPJMESA-N 1 0 388.515 4.349 20 0 GIADRO COc1ccc(C[NH2+]Cc2c(C)nn(-c3ccc(F)cc3F)c2C)cc1OC ZINC000048681058 822678170 /nfs/dbraw/zinc/67/81/70/822678170.db2.gz NRAIMKAFBLCATK-UHFFFAOYSA-N 1 0 387.430 4.074 20 0 GIADRO CC[C@@H](C)C(=O)Nc1cccc(C[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)c1 ZINC000180419862 822678418 /nfs/dbraw/zinc/67/84/18/822678418.db2.gz SYSAXWVHQIZKCE-SJORKVTESA-N 1 0 395.503 4.479 20 0 GIADRO C[C@@H](c1ccc(C(=O)N2C[C@@H]([NH+](C)C)Cc3ccccc32)cc1)C(F)(F)F ZINC000455583720 822678537 /nfs/dbraw/zinc/67/85/37/822678537.db2.gz ZUGCKMUQVQXREJ-KSSFIOAISA-N 1 0 376.422 4.486 20 0 GIADRO Cc1cc(C(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)c2ccccc2n1 ZINC000180422630 822679022 /nfs/dbraw/zinc/67/90/22/822679022.db2.gz YLKKLJQMGKGISI-UHFFFAOYSA-N 1 0 388.515 4.317 20 0 GIADRO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]Cc1cccnc1-n1cccn1 ZINC000048711366 822679185 /nfs/dbraw/zinc/67/91/85/822679185.db2.gz JUXXZKOLROODLP-UHFFFAOYSA-N 1 0 392.894 4.013 20 0 GIADRO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]Cc1ccc(OC(C)C)nc1 ZINC000048714851 822679446 /nfs/dbraw/zinc/67/94/46/822679446.db2.gz NWMOUWPFULBNIR-UHFFFAOYSA-N 1 0 386.446 4.239 20 0 GIADRO CCC(CC)n1nccc1C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000180425679 822679412 /nfs/dbraw/zinc/67/94/12/822679412.db2.gz DOMPYSYEKOWXEP-UHFFFAOYSA-N 1 0 383.540 4.027 20 0 GIADRO COc1ccc(C(=O)NCC[NH2+][C@@H](C)c2sc(-c3ccccc3)nc2C)cc1 ZINC000180424836 822679451 /nfs/dbraw/zinc/67/94/51/822679451.db2.gz HGRWAOUDGVKHMR-HNNXBMFYSA-N 1 0 395.528 4.208 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000184705624 822679550 /nfs/dbraw/zinc/67/95/50/822679550.db2.gz QZVKPQJLZPQRDF-ZWKOTPCHSA-N 1 0 388.433 4.120 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1cccc(C(F)(F)F)c1 ZINC000180425753 822679729 /nfs/dbraw/zinc/67/97/29/822679729.db2.gz IDHFQUUGEFZJFQ-UHFFFAOYSA-N 1 0 391.437 4.479 20 0 GIADRO CSc1ccsc1C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180429280 822680244 /nfs/dbraw/zinc/68/02/44/822680244.db2.gz DHGCKODPTMYXQC-UHFFFAOYSA-N 1 0 375.563 4.244 20 0 GIADRO C[NH+](C)CCN(Cc1ccccc1)C(=O)Cc1nc(-c2ccc(F)cc2)cs1 ZINC000184712724 822680821 /nfs/dbraw/zinc/68/08/21/822680821.db2.gz MRCHVIFDWAPMDI-UHFFFAOYSA-N 1 0 397.519 4.082 20 0 GIADRO COc1cc([C@@H](C)[NH2+]Cc2cccc3c2OCO3)ccc1OCc1ccncc1 ZINC000048746871 822680943 /nfs/dbraw/zinc/68/09/43/822680943.db2.gz WGXCHLGSZMDFBE-MRXNPFEDSA-N 1 0 392.455 4.249 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H](c1ccccc1)C(F)F ZINC000455595439 822681054 /nfs/dbraw/zinc/68/10/54/822681054.db2.gz JVDNHBSQRVTMLD-LJQANCHMSA-N 1 0 375.463 4.286 20 0 GIADRO COc1cccc(OC)c1Oc1ccc(C[NH2+]Cc2cnn(C(C)(C)C)c2)cn1 ZINC000048749727 822681172 /nfs/dbraw/zinc/68/11/72/822681172.db2.gz RLHNDQYJTIMLJW-UHFFFAOYSA-N 1 0 396.491 4.132 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1ccc(OCC2CC2)cc1 ZINC000180435374 822681291 /nfs/dbraw/zinc/68/12/91/822681291.db2.gz HMUIQRCZDNJTSY-UHFFFAOYSA-N 1 0 393.531 4.249 20 0 GIADRO O=C(N[C@@H](c1ccccc1)C(F)F)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000455599215 822681686 /nfs/dbraw/zinc/68/16/86/822681686.db2.gz OMNCSTOOHASWGQ-HKUYNNGSSA-N 1 0 379.495 4.290 20 0 GIADRO CCc1nc(CN2CCC(CNC(=O)C3(C4CCC4)CCC3)CC2)cs1 ZINC000455600589 822681929 /nfs/dbraw/zinc/68/19/29/822681929.db2.gz QOMZXRKJNVUOLA-UHFFFAOYSA-N 1 0 375.582 4.004 20 0 GIADRO C[C@H](CN[C@H](c1ccc(F)cc1)c1ccccc1Cl)C[NH+]1CCN(C)CC1 ZINC000180438239 822682119 /nfs/dbraw/zinc/68/21/19/822682119.db2.gz OOOSFXLXHTUYNT-VGOFRKELSA-N 1 0 389.946 4.042 20 0 GIADRO COCCC1(C[NH2+][C@@H](C)C(=O)Nc2ccccc2OC(F)F)CCCCC1 ZINC000184726099 822682712 /nfs/dbraw/zinc/68/27/12/822682712.db2.gz BOTXHKTWAICSAR-HNNXBMFYSA-N 1 0 384.467 4.192 20 0 GIADRO O=C(c1ccncc1)N1CCC([NH2+]Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000048785438 822683091 /nfs/dbraw/zinc/68/30/91/822683091.db2.gz LGCUVKHEQOBRDO-UHFFFAOYSA-N 1 0 395.503 4.344 20 0 GIADRO COc1ccccc1SC[C@@H](C)C[NH2+]C1CCN(Cc2cccnc2)CC1 ZINC000180445269 822683172 /nfs/dbraw/zinc/68/31/72/822683172.db2.gz UOBBMGMIMKINPZ-SFHVURJKSA-N 1 0 385.577 4.073 20 0 GIADRO CC(C)c1csc([C@H]2CCCN(C(=O)NCCCC[N@H+](C)C3CC3)C2)n1 ZINC000455605407 822683178 /nfs/dbraw/zinc/68/31/78/822683178.db2.gz HFWHUJVKXYGTLW-INIZCTEOSA-N 1 0 378.586 4.030 20 0 GIADRO COc1ccccc1SC[C@@H](C)C[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000180445623 822683373 /nfs/dbraw/zinc/68/33/73/822683373.db2.gz KRFWWRUIWUZLIU-JKSUJKDBSA-N 1 0 393.574 4.178 20 0 GIADRO CC(=O)Nc1cccc(OCC[NH2+][C@H]2CC3(CCCC3)Oc3ccccc32)c1 ZINC000180448470 822684059 /nfs/dbraw/zinc/68/40/59/822684059.db2.gz OPJKVLBUYLBVFA-NRFANRHFSA-N 1 0 380.488 4.450 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)N[C@H](c2ccccc2)C(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000455610253 822684086 /nfs/dbraw/zinc/68/40/86/822684086.db2.gz BFSIJFGBMQPLBC-NSISKUIASA-N 1 0 387.474 4.345 20 0 GIADRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCc1nc(-c2ccc(F)cc2)no1 ZINC000184742690 822684602 /nfs/dbraw/zinc/68/46/02/822684602.db2.gz BGYBXTWRHTUADD-IAGOWNOFSA-N 1 0 394.494 4.122 20 0 GIADRO C[N@H+](CCCCNC(=O)N1CCC(Sc2ccc(Cl)cc2)CC1)C1CC1 ZINC000455618349 822685033 /nfs/dbraw/zinc/68/50/33/822685033.db2.gz QCWPKLUYUOSJNI-UHFFFAOYSA-N 1 0 396.000 4.481 20 0 GIADRO C[N@H+](CCCCNC(=O)N1CCC(F)(Cc2ccc(Cl)cc2)CC1)C1CC1 ZINC000455624302 822685959 /nfs/dbraw/zinc/68/59/59/822685959.db2.gz WQXRHOPQXZBHID-UHFFFAOYSA-N 1 0 395.950 4.271 20 0 GIADRO CCC(CC)n1nc(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1C ZINC000180464350 822686780 /nfs/dbraw/zinc/68/67/80/822686780.db2.gz AMBDRAAMVDMDGW-UHFFFAOYSA-N 1 0 388.581 4.256 20 0 GIADRO C[NH+](C)[C@H]1CCCN(C(=O)Nc2cc(Cl)ccc2OC(F)(F)F)CC1 ZINC000455633625 822687395 /nfs/dbraw/zinc/68/73/95/822687395.db2.gz CTKIOJYENKLMIC-LBPRGKRZSA-N 1 0 379.810 4.187 20 0 GIADRO CN(C(=O)Nc1cc(Cl)ccc1OC(F)(F)F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000455633303 822687399 /nfs/dbraw/zinc/68/73/99/822687399.db2.gz CMMGIHQJAXPDNV-FUNVUKJBSA-N 1 0 391.821 4.328 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)NCc1ccnc(Oc2ccccc2)c1)c1ccsc1 ZINC000048959731 822689266 /nfs/dbraw/zinc/68/92/66/822689266.db2.gz MRBUEVALTVHFJM-IBGZPJMESA-N 1 0 396.516 4.038 20 0 GIADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc(-c3ccccc3C)ccc2Cl)CC1 ZINC000455642962 822689505 /nfs/dbraw/zinc/68/95/05/822689505.db2.gz SAFSNDGGUWQNTG-SFHVURJKSA-N 1 0 399.966 4.071 20 0 GIADRO Cc1cccc(NC(=O)C[C@@H](C)[NH2+]Cc2nc3ccccc3n2C2CC2)c1C ZINC000184785836 822690671 /nfs/dbraw/zinc/69/06/71/822690671.db2.gz IEVDONNDQBQWOG-MRXNPFEDSA-N 1 0 376.504 4.495 20 0 GIADRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CC(=O)NC(C3CC3)C3CC3)s2)cc1 ZINC000184785645 822690729 /nfs/dbraw/zinc/69/07/29/822690729.db2.gz UZNGUIGKDKWPFF-CYBMUJFWSA-N 1 0 399.560 4.083 20 0 GIADRO CC(C)(C)OC(=O)N1CC[C@H](CC[NH2+][C@@H](c2ccccc2)c2ccccn2)C1 ZINC000180498951 822691418 /nfs/dbraw/zinc/69/14/18/822691418.db2.gz DKMNQKAFODPZMO-RXVVDRJESA-N 1 0 381.520 4.408 20 0 GIADRO C[NH+](C)CCn1nccc1NC(=O)N1CCC(c2cccc3ccccc32)CC1 ZINC000455653421 822692112 /nfs/dbraw/zinc/69/21/12/822692112.db2.gz BJKISCZZPRKKSM-UHFFFAOYSA-N 1 0 391.519 4.009 20 0 GIADRO Oc1ccc(Br)c(C[N@H+]2CCC[C@H]2C[C@H](O)c2cccs2)c1 ZINC000180507157 822693065 /nfs/dbraw/zinc/69/30/65/822693065.db2.gz QXYUCJWDRUAJMA-BBRMVZONSA-N 1 0 382.323 4.304 20 0 GIADRO O=C(c1cccc(Br)c1Cl)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000180507495 822693312 /nfs/dbraw/zinc/69/33/12/822693312.db2.gz XSJSKIYQQLIHRQ-MLGOLLRUSA-N 1 0 397.744 4.191 20 0 GIADRO Cn1cc(C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2cccs2)c(-c2ccncc2)n1 ZINC000180509595 822693801 /nfs/dbraw/zinc/69/38/01/822693801.db2.gz ZRSQWXDKBHJFIO-PMACEKPBSA-N 1 0 396.560 4.412 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)NCc2nc3ccccc3n2C2CC2)CC1 ZINC000184808915 822693842 /nfs/dbraw/zinc/69/38/42/822693842.db2.gz MBECHSNGGBFESE-UHFFFAOYSA-N 1 0 397.567 4.025 20 0 GIADRO C[C@H]1CCN(C(=O)Nc2ccc([C@H]3CCOC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000455672368 822696821 /nfs/dbraw/zinc/69/68/21/822696821.db2.gz MJOZVNJDBROFHY-UGKGYDQZSA-N 1 0 393.531 4.319 20 0 GIADRO C[C@H](CCNC(=O)Nc1ccc([C@H]2CCOC2)cc1)[N@H+](C)Cc1ccccc1 ZINC000455674803 822697664 /nfs/dbraw/zinc/69/76/64/822697664.db2.gz PYKNSYVOHPDENS-NQIIRXRSSA-N 1 0 381.520 4.223 20 0 GIADRO NC(=O)c1cccc(CC[NH2+][C@@H]2CCCc3nc(-c4ccccc4)sc32)c1 ZINC000180534979 822697865 /nfs/dbraw/zinc/69/78/65/822697865.db2.gz XXRAUGNPXSHUHL-GOSISDBHSA-N 1 0 377.513 4.119 20 0 GIADRO CCC[C@@H]1C[C@@H](C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)CCO1 ZINC000184839672 822698314 /nfs/dbraw/zinc/69/83/14/822698314.db2.gz LDGOFPLNLXFZCD-JQHSSLGASA-N 1 0 386.458 4.020 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(N(C(C)=O)C2CC2)cc1)CC(C)C ZINC000455679973 822699089 /nfs/dbraw/zinc/69/90/89/822699089.db2.gz HUHSJBNUCKBGFC-NRFANRHFSA-N 1 0 388.556 4.080 20 0 GIADRO CC1CC[NH+](Cc2ccc(NC(=O)c3cc(COC(C)(C)C)on3)cc2)CC1 ZINC000184850260 822700279 /nfs/dbraw/zinc/70/02/79/822700279.db2.gz GUYPBYYBDMVECQ-UHFFFAOYSA-N 1 0 385.508 4.474 20 0 GIADRO COc1cc(F)cc(CNC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000180557311 822702007 /nfs/dbraw/zinc/70/20/07/822702007.db2.gz ZYZYBRSLVIJEDP-LAUBAEHRSA-N 1 0 399.510 4.029 20 0 GIADRO Cn1cc([C@H]([NH2+]C[C@H](O)c2ccc(C(C)(C)C)cc2)c2cccc(F)c2)cn1 ZINC000180559720 822702550 /nfs/dbraw/zinc/70/25/50/822702550.db2.gz SZSPOLALBNDBJV-FCHUYYIVSA-N 1 0 381.495 4.269 20 0 GIADRO CCC(CC)n1nc(C(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)cc1C ZINC000180563085 822703164 /nfs/dbraw/zinc/70/31/64/822703164.db2.gz HKKSRXZEOSXWKF-UHFFFAOYSA-N 1 0 392.931 4.399 20 0 GIADRO O[C@@H](C[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1)COCc1ccccc1F ZINC000180573469 822704738 /nfs/dbraw/zinc/70/47/38/822704738.db2.gz HDQXCDHNLMADSX-WMZOPIPTSA-N 1 0 389.364 4.126 20 0 GIADRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)Nc1nc(CC(F)(F)F)cs1 ZINC000455696151 822704916 /nfs/dbraw/zinc/70/49/16/822704916.db2.gz HWTVWRCNMQFWQB-HNNXBMFYSA-N 1 0 398.454 4.207 20 0 GIADRO CC(C)(C)[NH+]1CCC(NC(=O)N[C@@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000180574869 822705001 /nfs/dbraw/zinc/70/50/01/822705001.db2.gz LHANGRVDZIDQKE-QGZVFWFLSA-N 1 0 379.932 4.116 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1cc(Br)ccc1O)c1ccc2c(c1)OCCO2 ZINC000184875222 822705214 /nfs/dbraw/zinc/70/52/14/822705214.db2.gz IXVCCOUWWPZLRS-VXGBXAGGSA-N 1 0 378.266 4.338 20 0 GIADRO C[NH+]1CCC(CNC(=O)Nc2ccc(Br)c(Cl)c2Cl)CC1 ZINC000184878434 822705982 /nfs/dbraw/zinc/70/59/82/822705982.db2.gz WXVSCCFRSQZCKV-UHFFFAOYSA-N 1 0 395.128 4.219 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)c1ccc(-n2cncn2)cc1 ZINC000184884469 822707056 /nfs/dbraw/zinc/70/70/56/822707056.db2.gz NARQRADKLAZMTF-OLZOCXBDSA-N 1 0 387.281 4.147 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cncn2)cc1)c1ccc(Br)cc1O ZINC000184885264 822707190 /nfs/dbraw/zinc/70/71/90/822707190.db2.gz SZDYXUBCVYRREE-QWHCGFSZSA-N 1 0 387.281 4.147 20 0 GIADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC000180591001 822707154 /nfs/dbraw/zinc/70/71/54/822707154.db2.gz WYFSWPRTEALPTI-HNNXBMFYSA-N 1 0 395.469 4.079 20 0 GIADRO Cc1ccc(F)c(Br)c1NC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000455704435 822707569 /nfs/dbraw/zinc/70/75/69/822707569.db2.gz AEGHOARVZUFEPW-HNNXBMFYSA-N 1 0 394.288 4.321 20 0 GIADRO CCOc1c(Cl)cc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)cc1OC ZINC000180601598 822709320 /nfs/dbraw/zinc/70/93/20/822709320.db2.gz GSESAOSGHFHCIC-RDJZCZTQSA-N 1 0 379.884 4.428 20 0 GIADRO CC(C)(C)OC(=O)N1CCC(CC[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)CC1 ZINC000180602298 822709440 /nfs/dbraw/zinc/70/94/40/822709440.db2.gz HCOTUXYFGZPJIZ-OALUTQOASA-N 1 0 392.540 4.205 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)N3CCC[C@H]3Cc3ccccc3)c2)CC1 ZINC000184898044 822709605 /nfs/dbraw/zinc/70/96/05/822709605.db2.gz HXGNHVVCVJPKTB-QHCPKHFHSA-N 1 0 392.547 4.068 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)N1CCC[C@@H]1c1cccs1)[NH+]1CCCC1 ZINC000049790297 822709707 /nfs/dbraw/zinc/70/97/07/822709707.db2.gz QQWIMDVGLKLGBV-MOPGFXCFSA-N 1 0 399.560 4.440 20 0 GIADRO CCOc1cc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)ccc1OC(F)F ZINC000180604474 822710163 /nfs/dbraw/zinc/71/01/63/822710163.db2.gz CMZPVOVQLVMWFM-CVEARBPZSA-N 1 0 381.419 4.368 20 0 GIADRO Cc1ccc(CC[NH2+][C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000180604844 822710357 /nfs/dbraw/zinc/71/03/57/822710357.db2.gz DSDLTQDRDVKDSF-HSZRJFAPSA-N 1 0 379.525 4.320 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccc(F)c(Br)c2)cc1F ZINC000184917012 822712658 /nfs/dbraw/zinc/71/26/58/822712658.db2.gz PIADABXYDONUSL-HWPZZCPQSA-N 1 0 386.236 4.120 20 0 GIADRO O=C(CN1CC[NH+](CC2CCCCC2)CC1)Nc1ccccc1-c1ccccc1 ZINC000049981849 822713079 /nfs/dbraw/zinc/71/30/79/822713079.db2.gz UYAJPKBDLUMVGP-UHFFFAOYSA-N 1 0 391.559 4.490 20 0 GIADRO Cc1c(Cl)cccc1NC(=O)[C@H](C)N1CC[NH+](CC2CCCCC2)CC1 ZINC000049982022 822713166 /nfs/dbraw/zinc/71/31/66/822713166.db2.gz HLRVHLODMSTHNF-KRWDZBQOSA-N 1 0 377.960 4.173 20 0 GIADRO CC(C)CN(C(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1)C1CC[NH+](C)CC1 ZINC000049993608 822713325 /nfs/dbraw/zinc/71/33/25/822713325.db2.gz CNMUDTUGCXTXPF-RTBURBONSA-N 1 0 393.369 4.131 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)c1ccc(Cl)c(Cl)c1 ZINC000184921752 822713528 /nfs/dbraw/zinc/71/35/28/822713528.db2.gz JMINLUUXWSSATA-CYBMUJFWSA-N 1 0 399.343 4.384 20 0 GIADRO O=C(Nc1ccc(C(=O)N2CCC([NH+]3CCCCC3)CC2)cc1)c1cccs1 ZINC000050009387 822713949 /nfs/dbraw/zinc/71/39/49/822713949.db2.gz XVRULTJARALZJI-UHFFFAOYSA-N 1 0 397.544 4.091 20 0 GIADRO O=C(Nc1cccc(C(=O)N2CCC([NH+]3CCCCC3)CC2)c1)C1CCCCC1 ZINC000050009661 822713967 /nfs/dbraw/zinc/71/39/67/822713967.db2.gz UJZZWVXOGRYTJE-UHFFFAOYSA-N 1 0 397.563 4.296 20 0 GIADRO CCCCn1cc(C(=O)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)c(C)n1 ZINC000184926281 822714297 /nfs/dbraw/zinc/71/42/97/822714297.db2.gz SQEMOSWULDGGCE-UHFFFAOYSA-N 1 0 397.567 4.022 20 0 GIADRO O=C(Nc1ccc(Oc2cnccn2)cc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000050032971 822715286 /nfs/dbraw/zinc/71/52/86/822715286.db2.gz GFEVOCHYRDSBKD-IBGZPJMESA-N 1 0 388.471 4.120 20 0 GIADRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)Nc1ccccc1N1CCCC1 ZINC000050051056 822716138 /nfs/dbraw/zinc/71/61/38/822716138.db2.gz SEACKROPUHYSOV-SFHVURJKSA-N 1 0 398.576 4.382 20 0 GIADRO Cc1sc([C@@H](C)[NH2+]CCCN2CCOCC2)nc1-c1ccc(Cl)cc1 ZINC000184948698 822717207 /nfs/dbraw/zinc/71/72/07/822717207.db2.gz YQFLYBIYCGIJOQ-CQSZACIVSA-N 1 0 379.957 4.145 20 0 GIADRO Cc1ccc(F)c(Br)c1NC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000455747379 822718906 /nfs/dbraw/zinc/71/89/06/822718906.db2.gz IGIJFZNSVUQVRU-UHFFFAOYSA-N 1 0 394.288 4.280 20 0 GIADRO CCCn1ncc(NC(=O)N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)c1C1CC1 ZINC000455748065 822719090 /nfs/dbraw/zinc/71/90/90/822719090.db2.gz GTBIPPIXOZAHGL-OXQOHEQNSA-N 1 0 383.540 4.292 20 0 GIADRO CCOc1ccc(Cl)c(NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000455748954 822719263 /nfs/dbraw/zinc/71/92/63/822719263.db2.gz FEEHKAWTOZIXTB-UHFFFAOYSA-N 1 0 388.899 4.172 20 0 GIADRO Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]Cc1cc(=O)n2ccsc2n1 ZINC000184965300 822719319 /nfs/dbraw/zinc/71/93/19/822719319.db2.gz IUFZUWNUUYRPRY-KRWDZBQOSA-N 1 0 381.526 4.200 20 0 GIADRO CN(C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)[C@H]1CCc2ccccc21 ZINC000050137059 822720056 /nfs/dbraw/zinc/72/00/56/822720056.db2.gz MVDJSBOMCIXYFJ-UTKZUKDTSA-N 1 0 383.561 4.289 20 0 GIADRO COc1ccc(CCCN(C)C(=O)NCc2ccccc2C[N@H+](C)C(C)C)cc1 ZINC000050139135 822720202 /nfs/dbraw/zinc/72/02/02/822720202.db2.gz WCVBSXMCYBLZCV-UHFFFAOYSA-N 1 0 397.563 4.310 20 0 GIADRO Cc1cccc(CNC(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)n1 ZINC000050143219 822720369 /nfs/dbraw/zinc/72/03/69/822720369.db2.gz WCUUERMMYZOZEP-UHFFFAOYSA-N 1 0 380.536 4.154 20 0 GIADRO CCCCn1cc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c(C)n1 ZINC000184976017 822720605 /nfs/dbraw/zinc/72/06/05/822720605.db2.gz BFSYZWYVYGCFHE-JTHBVZDNSA-N 1 0 394.563 4.118 20 0 GIADRO CC1CC[NH+]([C@@H](CNC(=O)N2CCC[C@@H]2c2ccncc2)c2ccccc2)CC1 ZINC000050157077 822720600 /nfs/dbraw/zinc/72/06/00/822720600.db2.gz CSHLCMITAPCHLQ-PKTZIBPZSA-N 1 0 392.547 4.401 20 0 GIADRO O=C(C[NH2+][C@@H](Cc1ccccc1)c1cccs1)N1CCc2sccc2C1 ZINC000184979712 822721130 /nfs/dbraw/zinc/72/11/30/822721130.db2.gz POSWKWGPNASFPR-SFHVURJKSA-N 1 0 382.554 4.268 20 0 GIADRO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)Nc2ccccc2C(C)(F)F)C1 ZINC000455764181 822722091 /nfs/dbraw/zinc/72/20/91/822722091.db2.gz CKEGJPLASPZNNI-KRWDZBQOSA-N 1 0 388.462 4.179 20 0 GIADRO COc1ccc(NC(=O)C[C@H](C)[NH2+]Cc2ccc(C(F)F)cc2)c(OC)c1 ZINC000184990108 822722671 /nfs/dbraw/zinc/72/26/71/822722671.db2.gz RZGSXUUNLJUMMY-ZDUSSCGKSA-N 1 0 378.419 4.148 20 0 GIADRO O=C(C[NH2+][C@H](Cc1ccccc1)c1cccs1)N1CCC[C@H](C(F)(F)F)C1 ZINC000184998039 822723602 /nfs/dbraw/zinc/72/36/02/822723602.db2.gz KGAZHRZGDURNKE-DLBZAZTESA-N 1 0 396.478 4.422 20 0 GIADRO CC(C)Oc1cccc(NC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000455773205 822723893 /nfs/dbraw/zinc/72/38/93/822723893.db2.gz UFEJFBITIGQTFC-HXUWFJFHSA-N 1 0 381.520 4.460 20 0 GIADRO CCOc1ccc(Cl)c(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000455773733 822724070 /nfs/dbraw/zinc/72/40/70/822724070.db2.gz NDPZYCRJVSMMKJ-KRWDZBQOSA-N 1 0 377.872 4.290 20 0 GIADRO CCOc1ccc(C[NH2+][C@H](C)c2ccc(Br)cc2O)cc1OC ZINC000185009944 822724919 /nfs/dbraw/zinc/72/49/19/822724919.db2.gz LVFMSVHCASMHIQ-GFCCVEGCSA-N 1 0 380.282 4.413 20 0 GIADRO Cn1cc(-c2cc(C[NH2+]C3(c4cccc(Br)c4)CCC3)on2)cn1 ZINC000185031401 822727245 /nfs/dbraw/zinc/72/72/45/822727245.db2.gz BIZXNWJNAOWLCW-UHFFFAOYSA-N 1 0 387.281 4.007 20 0 GIADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2ccccc2C(C)(F)F)[C@H](C)C1 ZINC000455809442 822730331 /nfs/dbraw/zinc/73/03/31/822730331.db2.gz OHAQVDJKAGFNRQ-WBVHZDCISA-N 1 0 383.483 4.057 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]Cc1cc(-c2cnn(C)c2)no1 ZINC000185062507 822731373 /nfs/dbraw/zinc/73/13/73/822731373.db2.gz CDRACWGVKRGCFZ-GFCCVEGCSA-N 1 0 397.479 4.497 20 0 GIADRO CCCn1ncc(NC(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1C1CC1 ZINC000455821904 822732263 /nfs/dbraw/zinc/73/22/63/822732263.db2.gz DFFOPAXWPVDSMP-IRXDYDNUSA-N 1 0 375.561 4.050 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)c2csc(Br)c2C)CC1 ZINC000185071777 822732762 /nfs/dbraw/zinc/73/27/62/822732762.db2.gz UALKJUPEVKUYFV-UHFFFAOYSA-N 1 0 387.387 4.403 20 0 GIADRO CC(C)C(=O)c1ccc(NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000455829272 822733290 /nfs/dbraw/zinc/73/32/90/822733290.db2.gz XVAQEWQYPGGFLT-UHFFFAOYSA-N 1 0 393.531 4.354 20 0 GIADRO Fc1cc(C[NH2+]Cc2ccc(-c3ccccc3)s2)cnc1N1CCOCC1 ZINC000185075557 822733549 /nfs/dbraw/zinc/73/35/49/822733549.db2.gz KQKZPPVNFASWSH-UHFFFAOYSA-N 1 0 383.492 4.076 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)NCc3ccc(OC(C)(C)C)nc3)ccc21 ZINC000455836097 822734113 /nfs/dbraw/zinc/73/41/13/822734113.db2.gz ARESVLSWANUGBI-IBGZPJMESA-N 1 0 382.508 4.130 20 0 GIADRO CC(C)c1ncsc1NC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000455838587 822734756 /nfs/dbraw/zinc/73/47/56/822734756.db2.gz BQZLPIFWBIMMJB-UHFFFAOYSA-N 1 0 382.480 4.140 20 0 GIADRO O=C(CCCOCc1ccccc1)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000050627659 822735016 /nfs/dbraw/zinc/73/50/16/822735016.db2.gz FMZLDSNAIRPXBK-HSZRJFAPSA-N 1 0 380.532 4.012 20 0 GIADRO COc1ccccc1C1(CNC(=O)c2oc3ccccc3c2C[NH+](C)C)CCC1 ZINC000185087970 822735129 /nfs/dbraw/zinc/73/51/29/822735129.db2.gz RUSZBCAQTQOITA-UHFFFAOYSA-N 1 0 392.499 4.355 20 0 GIADRO CC[C@H]([NH2+]C[C@H](O)COc1ccc(Oc2ccccc2)cc1)c1nccs1 ZINC000185095081 822736424 /nfs/dbraw/zinc/73/64/24/822736424.db2.gz FABLDVMVRGKJGG-JXFKEZNVSA-N 1 0 384.501 4.416 20 0 GIADRO Cn1c(CNC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)nc2cccc(Cl)c21 ZINC000455851932 822737065 /nfs/dbraw/zinc/73/70/65/822737065.db2.gz LQBHBOJLMXFXHJ-GOSISDBHSA-N 1 0 397.910 4.097 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N(Cc3ccccc3)CC(C)(C)O)ccc21 ZINC000455859921 822738548 /nfs/dbraw/zinc/73/85/48/822738548.db2.gz QJAWEERIVZOCKD-OAQYLSRUSA-N 1 0 381.520 4.041 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N[C@H](c3nccs3)C(F)(F)F)ccc21 ZINC000455865152 822739212 /nfs/dbraw/zinc/73/92/12/822739212.db2.gz TZVNKZKWCPPESX-UONOGXRCSA-N 1 0 384.427 4.117 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N[C@H](c3nccs3)C(F)(F)F)ccc21 ZINC000455865153 822739256 /nfs/dbraw/zinc/73/92/56/822739256.db2.gz TZVNKZKWCPPESX-ZIAGYGMSSA-N 1 0 384.427 4.117 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCCCCCC(=O)OC(C)(C)C)ccc21 ZINC000455865969 822739423 /nfs/dbraw/zinc/73/94/23/822739423.db2.gz UUFANAJVUMEAKQ-LJQANCHMSA-N 1 0 389.540 4.259 20 0 GIADRO COc1ccc([C@H](C)NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)c(C)c1OC ZINC000455867941 822739734 /nfs/dbraw/zinc/73/97/34/822739734.db2.gz VRBXRUXEDXUTRC-MGPUTAFESA-N 1 0 397.519 4.444 20 0 GIADRO CC(C)c1ncsc1NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000455869072 822739889 /nfs/dbraw/zinc/73/98/89/822739889.db2.gz QOFRAPFUXCTWLK-ZWKOTPCHSA-N 1 0 384.549 4.252 20 0 GIADRO C[C@@H](NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)c1ccc2c(c1)CCC(=O)N2 ZINC000455873758 822740754 /nfs/dbraw/zinc/74/07/54/822740754.db2.gz ABPCVYSDDKXDNT-SPLOXXLWSA-N 1 0 392.503 4.003 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N[C@@H]3CCCN(c4ccccc4)C3)ccc21 ZINC000455876098 822741053 /nfs/dbraw/zinc/74/10/53/822741053.db2.gz BBTVTQGDABXGJE-KNQAVFIVSA-N 1 0 378.520 4.026 20 0 GIADRO COc1ccc(CN(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C2CC2)cc1 ZINC000455884223 822742208 /nfs/dbraw/zinc/74/22/08/822742208.db2.gz VHKFKJNFEHIGTF-JOCHJYFZSA-N 1 0 379.504 4.441 20 0 GIADRO C[N@H+](C[C@H]1CCCO[C@@H]1c1ccccc1)Cn1c(=O)oc2ccc(Cl)cc21 ZINC000050928075 822742728 /nfs/dbraw/zinc/74/27/28/822742728.db2.gz NCEHSDWJFOOECY-OXQOHEQNSA-N 1 0 386.879 4.305 20 0 GIADRO COc1ccc(C[N@H+](C)Cc2ccc(OCc3cccnc3)cc2)c(OC)c1 ZINC000050958666 822743224 /nfs/dbraw/zinc/74/32/24/822743224.db2.gz BCHSBWDCOOUCAL-UHFFFAOYSA-N 1 0 378.472 4.310 20 0 GIADRO Cc1nc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)sc1Cc1cccc(F)c1 ZINC000455899613 822744895 /nfs/dbraw/zinc/74/48/95/822744895.db2.gz SWKRPVGVWQJYQY-SUMWQHHRSA-N 1 0 390.528 4.128 20 0 GIADRO FC(F)c1ccc(C[NH2+]Cc2cc(Br)c3c(c2)OCCO3)cc1 ZINC000185177764 822745882 /nfs/dbraw/zinc/74/58/82/822745882.db2.gz WFDQWYMXUKUURU-UHFFFAOYSA-N 1 0 384.220 4.448 20 0 GIADRO Cc1ccccc1CN(Cc1cccnc1)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000185181694 822746296 /nfs/dbraw/zinc/74/62/96/822746296.db2.gz AWPOZUBSQWSWSC-UHFFFAOYSA-N 1 0 394.563 4.224 20 0 GIADRO Cc1ccc(CN(C(=O)C[N@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)C2CC2)o1 ZINC000051132180 822747060 /nfs/dbraw/zinc/74/70/60/822747060.db2.gz IMKKVYIVBSNPOC-GBXCKJPGSA-N 1 0 396.531 4.179 20 0 GIADRO CSc1ccc(NC(=O)C[N@H+](C)C[C@H]2CCCO[C@@H]2c2ccccc2)cc1 ZINC000051132708 822747306 /nfs/dbraw/zinc/74/73/06/822747306.db2.gz HZMKHTCCTYKIPP-XMSQKQJNSA-N 1 0 384.545 4.447 20 0 GIADRO CC(C)[C@@H](NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)c1nc(C2CC2)no1 ZINC000455916891 822748846 /nfs/dbraw/zinc/74/88/46/822748846.db2.gz KSDNPKBOPMJMTG-QZTJIDSGSA-N 1 0 383.496 4.015 20 0 GIADRO C[C@@H]1CN(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C[C@H](c2ccccc2)O1 ZINC000455918308 822749128 /nfs/dbraw/zinc/74/91/28/822749128.db2.gz LAYYKPBAMPYIFX-URZJWIJPSA-N 1 0 379.504 4.229 20 0 GIADRO CC[C@H]([NH2+]Cc1ccc(N2CCCC2)nc1)c1cc(Br)ccc1O ZINC000185208072 822749484 /nfs/dbraw/zinc/74/94/84/822749484.db2.gz WLBPAYKYYKVDAV-KRWDZBQOSA-N 1 0 390.325 4.391 20 0 GIADRO CC[C@@H]([NH2+]Cc1ccc(N2CCCC2)nc1)c1cc(Br)ccc1O ZINC000185208089 822749511 /nfs/dbraw/zinc/74/95/11/822749511.db2.gz WLBPAYKYYKVDAV-QGZVFWFLSA-N 1 0 390.325 4.391 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N(CCCO)[C@@H]3CCc4ccccc43)ccc21 ZINC000455920613 822749592 /nfs/dbraw/zinc/74/95/92/822749592.db2.gz LQIMYSOYMXKJES-XZOQPEGZSA-N 1 0 393.531 4.139 20 0 GIADRO CCOc1cc(C[NH2+][C@@H]2c3ccccc3C[C@@H]2O)ccc1OCc1ccccc1 ZINC000051188208 822749910 /nfs/dbraw/zinc/74/99/10/822749910.db2.gz HOUYUMYFBHMZOL-WIOPSUGQSA-N 1 0 389.495 4.412 20 0 GIADRO COc1cc(C[NH2+]CC(=O)Nc2cccc(F)c2)c(-c2ccccc2)cc1OC ZINC000051188775 822749956 /nfs/dbraw/zinc/74/99/56/822749956.db2.gz CHMIQXQOXUZWCK-UHFFFAOYSA-N 1 0 394.446 4.238 20 0 GIADRO CC[C@@H]1CCCC[C@H]1OCC(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000185216801 822750392 /nfs/dbraw/zinc/75/03/92/822750392.db2.gz SUHBVTVVCLKSKX-XMSQKQJNSA-N 1 0 387.568 4.141 20 0 GIADRO CC[C@@H](O)CN(Cc1ccccc1)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455929951 822751419 /nfs/dbraw/zinc/75/14/19/822751419.db2.gz OMNUSFHEKLPMKQ-IFMALSPDSA-N 1 0 381.520 4.041 20 0 GIADRO c1coc([C@@H](CNc2nn3cc(-c4ccccc4)nc3s2)[NH+]2CCCC2)c1 ZINC000051235579 822751510 /nfs/dbraw/zinc/75/15/10/822751510.db2.gz QHYKJDKNYRIXIG-QGZVFWFLSA-N 1 0 379.489 4.300 20 0 GIADRO COCCC1(C[NH2+]Cc2cc(Br)c(O)c(OC)c2)CCCCC1 ZINC000185226400 822751631 /nfs/dbraw/zinc/75/16/31/822751631.db2.gz VFVOWAAZWUKXLJ-UHFFFAOYSA-N 1 0 386.330 4.240 20 0 GIADRO C[C@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455931760 822751761 /nfs/dbraw/zinc/75/17/61/822751761.db2.gz PNNQMBVPOXKCCQ-UPKQVVFYSA-N 1 0 379.504 4.091 20 0 GIADRO C[C@H]1CC[C@H](N(C)C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)C1 ZINC000455934749 822752605 /nfs/dbraw/zinc/75/26/05/822752605.db2.gz ACWRAMJFFGHTGV-HOCLYGCPSA-N 1 0 379.932 4.465 20 0 GIADRO CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000051267730 822752910 /nfs/dbraw/zinc/75/29/10/822752910.db2.gz GRTKONWBYRBOAR-UYAOXDASSA-N 1 0 387.568 4.105 20 0 GIADRO O=C(NC1CC1)c1ccc(C[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C2CC2)cc1 ZINC000185238856 822753186 /nfs/dbraw/zinc/75/31/86/822753186.db2.gz STIZVFATJPAOGD-UHFFFAOYSA-N 1 0 399.878 4.305 20 0 GIADRO C[C@@H]1C[C@H](c2cccnc2)N(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000185240112 822753387 /nfs/dbraw/zinc/75/33/87/822753387.db2.gz ZQCWVJHEGAIACQ-QRQLOZEOSA-N 1 0 384.549 4.073 20 0 GIADRO C[C@@H](COc1ccc(F)cc1F)NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455941291 822754118 /nfs/dbraw/zinc/75/41/18/822754118.db2.gz UGJKZYGPZHLGCP-ORAYPTAESA-N 1 0 389.446 4.103 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCCCCOCCc3ccccc3)ccc21 ZINC000455943684 822754733 /nfs/dbraw/zinc/75/47/33/822754733.db2.gz VIUMHWUGFISIHW-HSZRJFAPSA-N 1 0 395.547 4.397 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N(Cc3ccco3)C[C@@H]3CCCO3)ccc21 ZINC000455943839 822754883 /nfs/dbraw/zinc/75/48/83/822754883.db2.gz VOOYYRNCPKQUEA-PZJWPPBQSA-N 1 0 383.492 4.042 20 0 GIADRO Cc1cccc(N2CCN(C(=O)Nc3ccc4c(c3)CC[C@@H]4[NH+](C)C)CC2)c1C ZINC000455945596 822755388 /nfs/dbraw/zinc/75/53/88/822755388.db2.gz WMLMBICAKANGOX-QHCPKHFHSA-N 1 0 392.547 4.206 20 0 GIADRO COc1cc(C)c([C@@H](C)NC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)cc1OC ZINC000455945575 822755405 /nfs/dbraw/zinc/75/54/05/822755405.db2.gz WKINFMJNIBMMKO-QRWLVFNGSA-N 1 0 397.519 4.444 20 0 GIADRO COc1ccc(OC)c(CCCNC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)c1 ZINC000455946025 822755490 /nfs/dbraw/zinc/75/54/90/822755490.db2.gz WMOODLDLOZNSCD-OAQYLSRUSA-N 1 0 397.519 4.007 20 0 GIADRO COC(C)(C)C[C@@H](C)NC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000455945762 822755554 /nfs/dbraw/zinc/75/55/54/822755554.db2.gz OTTTUSJZGPUQIB-CQSZACIVSA-N 1 0 397.947 4.138 20 0 GIADRO Cc1csc([C@H]2CCCN(C(=O)Nc3ccc4c(c3)CC[C@H]4[NH+](C)C)C2)n1 ZINC000455947010 822755869 /nfs/dbraw/zinc/75/58/69/822755869.db2.gz XEZFAHCNNPXYQK-QFBILLFUSA-N 1 0 384.549 4.412 20 0 GIADRO Fc1cc(C[NH2+][C@H](c2ccccc2)C2CCCCC2)cnc1N1CCOCC1 ZINC000185266703 822756954 /nfs/dbraw/zinc/75/69/54/822756954.db2.gz QXQLSQGZBLMMRH-JOCHJYFZSA-N 1 0 383.511 4.469 20 0 GIADRO CCOc1ccc(C[N@H+](C)CCC(=O)Nc2ccccc2Br)cc1 ZINC000051352765 822757526 /nfs/dbraw/zinc/75/75/26/822757526.db2.gz XIULPQCFPQFBSQ-UHFFFAOYSA-N 1 0 391.309 4.308 20 0 GIADRO C[C@@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)c1ccc(-c2ccccc2)o1 ZINC000185275563 822758237 /nfs/dbraw/zinc/75/82/37/822758237.db2.gz VCZHSCHKSXBKFN-MRXNPFEDSA-N 1 0 381.451 4.168 20 0 GIADRO CC(C)c1cccc2c1OCCC[C@H]2[NH2+]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000185276365 822758370 /nfs/dbraw/zinc/75/83/70/822758370.db2.gz XFWWXRVJVXJNOS-OAQYLSRUSA-N 1 0 399.510 4.184 20 0 GIADRO CC[NH+]1CCC(n2nccc2NC(=O)CC2(CSc3ccccc3)CC2)CC1 ZINC000185279277 822758724 /nfs/dbraw/zinc/75/87/24/822758724.db2.gz OPRVBIFHMLBPNB-UHFFFAOYSA-N 1 0 398.576 4.441 20 0 GIADRO O=C(Nc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)cc1)c1cccnc1 ZINC000185284577 822759537 /nfs/dbraw/zinc/75/95/37/822759537.db2.gz FQUFZWRXINGJLJ-UHFFFAOYSA-N 1 0 396.834 4.185 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@H]2c3ccccc3CCC[C@@H]2C)ccc1S(C)(=O)=O ZINC000185286353 822759845 /nfs/dbraw/zinc/75/98/45/822759845.db2.gz DFWMCAWDGWEPCH-PONJGIIJSA-N 1 0 387.545 4.463 20 0 GIADRO CC[C@@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)c1cccc(Cl)c1 ZINC000185289542 822760136 /nfs/dbraw/zinc/76/01/36/822760136.db2.gz HOSKATDKSCATOK-LJQANCHMSA-N 1 0 378.925 4.121 20 0 GIADRO CC[C@@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)c1cccc(Cl)c1F ZINC000185289038 822760163 /nfs/dbraw/zinc/76/01/63/822760163.db2.gz ADDHGRNMPQDFNO-GOSISDBHSA-N 1 0 396.915 4.260 20 0 GIADRO C[C@H](c1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1)C(F)(F)F ZINC000455993316 822763083 /nfs/dbraw/zinc/76/30/83/822763083.db2.gz KZVUODUNWHMHAG-LSBZLQRGSA-N 1 0 380.454 4.441 20 0 GIADRO COc1ccc([C@H]([NH2+]C[C@@H](C)Cc2ccc(OC)c(F)c2)c2nccn2C)cc1 ZINC000185316118 822764548 /nfs/dbraw/zinc/76/45/48/822764548.db2.gz ZVZKRXJNDBDMGD-AOMKIAJQSA-N 1 0 397.494 4.134 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)N[C@H](C)c2ccc(-c3ccncc3)cc2)CC1 ZINC000174294334 822765288 /nfs/dbraw/zinc/76/52/88/822765288.db2.gz HXFZAXAMXNBBRN-GOSISDBHSA-N 1 0 380.536 4.231 20 0 GIADRO CC(C)[NH2+]C1CCN(C(=O)NCc2ccc(OCc3ccccc3F)cc2)CC1 ZINC000185320151 822765351 /nfs/dbraw/zinc/76/53/51/822765351.db2.gz OSSHLNOXTLKMHF-UHFFFAOYSA-N 1 0 399.510 4.077 20 0 GIADRO CC(C)[NH+]1CCC(N[C@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000174295094 822765594 /nfs/dbraw/zinc/76/55/94/822765594.db2.gz FDCRAFCLWURDGT-GFCCVEGCSA-N 1 0 391.865 4.148 20 0 GIADRO O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)c1ccncc1Cl ZINC000174297668 822766298 /nfs/dbraw/zinc/76/62/98/822766298.db2.gz HOXNRISPJQJIPB-UHFFFAOYSA-N 1 0 378.303 4.030 20 0 GIADRO CC[C@H](C)n1ncc(C(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)c1C1CC1 ZINC000185332507 822767292 /nfs/dbraw/zinc/76/72/92/822767292.db2.gz LBGBNPUTEMWUTK-JTSKRJEESA-N 1 0 394.563 4.372 20 0 GIADRO O=C(NCCCC[NH+]1CCC(Cc2ccccc2)CC1)c1ccncc1Cl ZINC000174303780 822767770 /nfs/dbraw/zinc/76/77/70/822767770.db2.gz KZLSEXCIJSVVAA-UHFFFAOYSA-N 1 0 385.939 4.200 20 0 GIADRO CC1(C)CC=C(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)CC1 ZINC000456030085 822768515 /nfs/dbraw/zinc/76/85/15/822768515.db2.gz KPEBXVGHRBWFNR-QFIPXVFZSA-N 1 0 396.575 4.168 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000185348001 822769168 /nfs/dbraw/zinc/76/91/68/822769168.db2.gz JIQQYUFNKUFTCD-AWEZNQCLSA-N 1 0 390.528 4.054 20 0 GIADRO COc1ccc2oc(C[NH2+][C@@H]3CCN(C(C)=O)Cc4cc(F)ccc43)cc2c1 ZINC000185350020 822769612 /nfs/dbraw/zinc/76/96/12/822769612.db2.gz BMLCCCXJEAGBPI-OAQYLSRUSA-N 1 0 382.435 4.164 20 0 GIADRO CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(OC(F)F)c2)c2ccc(F)cc2C1 ZINC000185352948 822769983 /nfs/dbraw/zinc/76/99/83/822769983.db2.gz KTQAKTKWZPGAJE-LJQANCHMSA-N 1 0 378.394 4.010 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(F)c(F)c1F ZINC000174326932 822771411 /nfs/dbraw/zinc/77/14/11/822771411.db2.gz UWUHGFBJZVGXPC-MRXNPFEDSA-N 1 0 391.437 4.480 20 0 GIADRO CC[NH+]1CCC(N(C)c2nc(-c3cccnc3)nc3sc4c(c32)CCC4)CC1 ZINC000051655178 822771793 /nfs/dbraw/zinc/77/17/93/822771793.db2.gz DNPGLOPFXHIQHU-UHFFFAOYSA-N 1 0 393.560 4.163 20 0 GIADRO CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(C(F)(F)F)c2)c2ccc(F)cc2C1 ZINC000185363106 822772165 /nfs/dbraw/zinc/77/21/65/822772165.db2.gz DHFIWHVXLAELSL-LJQANCHMSA-N 1 0 380.385 4.428 20 0 GIADRO Cc1ccc(C(=O)NC[C@H](c2ccc(OC(C)C)cc2)[NH+](C)C)c(C2CC2)n1 ZINC000456056940 822772281 /nfs/dbraw/zinc/77/22/81/822772281.db2.gz VEFHAXPBNGWQFF-OAQYLSRUSA-N 1 0 381.520 4.087 20 0 GIADRO CCS[C@@H]1CC[C@H]([N@H+](C)CC(=O)Nc2cc3c(cc2Cl)OCCCO3)C1 ZINC000174342061 822775100 /nfs/dbraw/zinc/77/51/00/822775100.db2.gz VLOAODXOOBWQGL-UONOGXRCSA-N 1 0 398.956 4.046 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)NCc2cccc(OC(F)F)c2)c1 ZINC000051718537 822776073 /nfs/dbraw/zinc/77/60/73/822776073.db2.gz DKTQEOBHUIVJNG-UHFFFAOYSA-N 1 0 391.462 4.129 20 0 GIADRO CCCNC(=O)c1ccc(NC(=O)NCCC[NH+](C(C)C)C(C)C)cc1Cl ZINC000174349001 822776215 /nfs/dbraw/zinc/77/62/15/822776215.db2.gz NVTZJYVSSYWJFF-UHFFFAOYSA-N 1 0 396.963 4.110 20 0 GIADRO C[C@H](CCNC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000174361760 822777875 /nfs/dbraw/zinc/77/78/75/822777875.db2.gz UNJWVIUCPDYZBN-RKVPGOIHSA-N 1 0 385.474 4.323 20 0 GIADRO Cc1sc2[nH]c([C@H](C)[NH2+][C@@H](C)c3ccc(-n4cccn4)cc3)nc(=O)c2c1C ZINC000174378524 822780684 /nfs/dbraw/zinc/78/06/84/822780684.db2.gz MTJTWCSSCLIHHY-KBPBESRZSA-N 1 0 393.516 4.199 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)N[C@@H](C)c2nc(C3CCCCC3)no2)[NH+](C)C)cc1 ZINC000174384519 822781617 /nfs/dbraw/zinc/78/16/17/822781617.db2.gz UTTVPJRFIZZSCW-QFBILLFUSA-N 1 0 399.539 4.089 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1cnn(C(C)(C)C)c1)c1cccc(C(F)(F)F)c1 ZINC000185437578 822783724 /nfs/dbraw/zinc/78/37/24/822783724.db2.gz ZESYJIUVINKDKH-MRXNPFEDSA-N 1 0 397.445 4.081 20 0 GIADRO COc1ccc(-c2nc(CN(C)C[C@H]3CC[N@H+](Cc4ccccc4)C3)co2)cc1 ZINC000174396481 822783869 /nfs/dbraw/zinc/78/38/69/822783869.db2.gz KOIXGGCRGQVVGR-HXUWFJFHSA-N 1 0 391.515 4.304 20 0 GIADRO c1coc([C@H](C[NH2+]Cc2ccc(Oc3cnccn3)cc2)N2CCCCC2)c1 ZINC000174402202 822784899 /nfs/dbraw/zinc/78/48/99/822784899.db2.gz PVDDEXWQLQRRAH-FQEVSTJZSA-N 1 0 378.476 4.179 20 0 GIADRO COc1cc(C)c([C@H](C)NC(=O)C[NH2+][C@H](c2ccccc2)C(C)C)cc1OC ZINC000052006339 822786425 /nfs/dbraw/zinc/78/64/25/822786425.db2.gz ATWJDZQVCUZBCW-SBUREZEXSA-N 1 0 384.520 4.176 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)NNc2c(F)cccc2Cl)[C@@H]1c1cccs1 ZINC000185454884 822786542 /nfs/dbraw/zinc/78/65/42/822786542.db2.gz VMADKNSISVOXDT-YVEFUNNKSA-N 1 0 396.919 4.250 20 0 GIADRO FC(F)COc1ccc(C[NH2+]CCc2nc(-c3ccccn3)cs2)cc1 ZINC000174412387 822786651 /nfs/dbraw/zinc/78/66/51/822786651.db2.gz IMZADEHSXBPFSH-UHFFFAOYSA-N 1 0 375.444 4.181 20 0 GIADRO c1sc(CC[NH2+]C2CCN(Cc3ccccc3)CC2)nc1-c1ccccn1 ZINC000174412409 822786720 /nfs/dbraw/zinc/78/67/20/822786720.db2.gz BZNRFWWKCVELRW-UHFFFAOYSA-N 1 0 378.545 4.002 20 0 GIADRO Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C[NH2+]C[C@H]1CCC[C@H](O)C1 ZINC000174426530 822788419 /nfs/dbraw/zinc/78/84/19/822788419.db2.gz NIPMTEYCYKLWMJ-RDJZCZTQSA-N 1 0 382.335 4.187 20 0 GIADRO COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H]2CCC[C@@H](O)C2)cc1 ZINC000174429123 822788886 /nfs/dbraw/zinc/78/88/86/822788886.db2.gz IOJQUBKCAGJXLO-PGRDOPGGSA-N 1 0 391.515 4.189 20 0 GIADRO COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H]2CCC[C@H](O)C2)cc1 ZINC000174429091 822788907 /nfs/dbraw/zinc/78/89/07/822788907.db2.gz IOJQUBKCAGJXLO-AVRDEDQJSA-N 1 0 391.515 4.189 20 0 GIADRO CCSc1cccc(CNc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)c1 ZINC000185481319 822789135 /nfs/dbraw/zinc/78/91/35/822789135.db2.gz KLYZSEZZBWHRRA-UHFFFAOYSA-N 1 0 383.561 4.108 20 0 GIADRO C[C@@H]1CCN(Cc2ccc(C(=O)N3CCCC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000174434774 822789651 /nfs/dbraw/zinc/78/96/51/822789651.db2.gz GIBLKVCZZIFBAW-OAQYLSRUSA-N 1 0 391.559 4.019 20 0 GIADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@@H](C)c1ccc(Cl)c2ccccc21 ZINC000185487448 822789817 /nfs/dbraw/zinc/78/98/17/822789817.db2.gz RSXXPPFQYXQAMD-BTYIYWSLSA-N 1 0 388.939 4.464 20 0 GIADRO Cc1c(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)nnn1-c1cccc(Cl)c1 ZINC000456252505 822790216 /nfs/dbraw/zinc/79/02/16/822790216.db2.gz AMAXLTWCJXQWPE-IBGZPJMESA-N 1 0 395.894 4.030 20 0 GIADRO CC(C)NC(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)cc1 ZINC000456252497 822790233 /nfs/dbraw/zinc/79/02/33/822790233.db2.gz ALOCRIMVZUKELZ-FQEVSTJZSA-N 1 0 380.492 4.018 20 0 GIADRO CC(C)Cn1ncc(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)c1C(F)F ZINC000456261422 822791244 /nfs/dbraw/zinc/79/12/44/822791244.db2.gz FUTNTKBWNBYEOW-QGZVFWFLSA-N 1 0 376.451 4.278 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)N[C@@H](C)c2nc(C3CCCCC3)no2)c1 ZINC000174450562 822791468 /nfs/dbraw/zinc/79/14/68/822791468.db2.gz BZSBQCGRHZFLDD-INIZCTEOSA-N 1 0 399.539 4.129 20 0 GIADRO COc1cccc(-c2c[nH]cc2C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)c1 ZINC000456264966 822791642 /nfs/dbraw/zinc/79/16/42/822791642.db2.gz HJMXQMUGEKPLPK-QFIPXVFZSA-N 1 0 375.472 4.492 20 0 GIADRO CCc1nn(C)c(Cl)c1CNCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000174452397 822791726 /nfs/dbraw/zinc/79/17/26/822791726.db2.gz NJGJYNBVUNIKHO-UHFFFAOYSA-N 1 0 386.927 4.151 20 0 GIADRO Cc1csc([C@H](NC(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)C2CC2)n1 ZINC000174453245 822791970 /nfs/dbraw/zinc/79/19/70/822791970.db2.gz ZUYAIZCELLYGBU-VQTJNVASSA-N 1 0 398.576 4.347 20 0 GIADRO COc1ccc(-c2noc(C[N@@H+]3CCC[C@H]3c3ccccc3C)n2)c(OC)c1 ZINC000052212891 822793190 /nfs/dbraw/zinc/79/31/90/822793190.db2.gz FTKQQYIXYYVHDC-IBGZPJMESA-N 1 0 379.460 4.399 20 0 GIADRO Cc1cc(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)c(C)n1-c1nccs1 ZINC000456280022 822793481 /nfs/dbraw/zinc/79/34/81/822793481.db2.gz QBWWDRDFWAIESB-IBGZPJMESA-N 1 0 380.517 4.352 20 0 GIADRO Cc1nn(C)c(=O)c(-c2nc(C[NH2+][C@H](C)[C@@H](C)C3CCCCC3)cs2)c1C ZINC000185528433 822793583 /nfs/dbraw/zinc/79/35/83/822793583.db2.gz UOQSBFMDMHOJOO-UKRRQHHQSA-N 1 0 388.581 4.215 20 0 GIADRO Cn1ccnc1SCc1ccc(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)o1 ZINC000456280782 822793642 /nfs/dbraw/zinc/79/36/42/822793642.db2.gz QOBAXTMSMSLAMD-SFHVURJKSA-N 1 0 396.516 4.107 20 0 GIADRO C[C@@H](O)CC(C)(C)C[NH2+]Cc1csc(-c2cccc(Br)c2)n1 ZINC000174464787 822793840 /nfs/dbraw/zinc/79/38/40/822793840.db2.gz NQMWIKUBOQSLEB-GFCCVEGCSA-N 1 0 383.355 4.459 20 0 GIADRO CSc1cc(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)ccc1NC(C)=O ZINC000456282563 822793832 /nfs/dbraw/zinc/79/38/32/822793832.db2.gz SAKZOWIBAYNQCU-IBGZPJMESA-N 1 0 383.517 4.168 20 0 GIADRO CC(=O)c1ccc(SCC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)cc1F ZINC000456282627 822793866 /nfs/dbraw/zinc/79/38/66/822793866.db2.gz SEFUPROHFNDDFS-FQEVSTJZSA-N 1 0 386.492 4.308 20 0 GIADRO Cc1cnc([C@@H](NC(=O)NC(C)(C)CC[NH+]2CCCCCC2)C2CC2)s1 ZINC000185532026 822793950 /nfs/dbraw/zinc/79/39/50/822793950.db2.gz ISZRMNKGWAALNE-KRWDZBQOSA-N 1 0 378.586 4.247 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)Cc3cc(Br)ccc3F)ccc21 ZINC000456285710 822794337 /nfs/dbraw/zinc/79/43/37/822794337.db2.gz VCXRXXCNFSFGQE-SFHVURJKSA-N 1 0 391.284 4.318 20 0 GIADRO OCc1ccc(C[NH2+]C2(c3ccc(OCc4ccccc4)cc3)CCOCC2)o1 ZINC000174471031 822794625 /nfs/dbraw/zinc/79/46/25/822794625.db2.gz MYZWBJKEQGMGAN-UHFFFAOYSA-N 1 0 393.483 4.146 20 0 GIADRO CCCN(CC)C(=O)c1ccc(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)cc1 ZINC000456290422 822794851 /nfs/dbraw/zinc/79/48/51/822794851.db2.gz YCNZLVKMUQYPCK-QFIPXVFZSA-N 1 0 393.531 4.360 20 0 GIADRO COc1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc(Cl)c1OCCC(C)C ZINC000456313426 822797455 /nfs/dbraw/zinc/79/74/55/822797455.db2.gz NVWUCRIUOHXOEC-ALOPSCKCSA-N 1 0 394.943 4.129 20 0 GIADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)Nc1cccc(Oc2ccccn2)c1 ZINC000174514441 822799614 /nfs/dbraw/zinc/79/96/14/822799614.db2.gz NHVINJFJWLTMFM-FQEVSTJZSA-N 1 0 390.487 4.168 20 0 GIADRO CCc1nsc(N2CCC[N@H+](Cc3ccc(Cl)c4cccnc34)CC2)n1 ZINC000174520935 822800241 /nfs/dbraw/zinc/80/02/41/822800241.db2.gz VHLBZWUYCZJFBH-UHFFFAOYSA-N 1 0 387.940 4.014 20 0 GIADRO Cc1oc2ccccc2c1CNC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000185602953 822801157 /nfs/dbraw/zinc/80/11/57/822801157.db2.gz ZBSOQSWYQZFFQV-UHFFFAOYSA-N 1 0 381.476 4.140 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cn(Cc3ccccc3)c3ccccc23)C1 ZINC000174527039 822801401 /nfs/dbraw/zinc/80/14/01/822801401.db2.gz RPQBWCRIAAFENY-HXUWFJFHSA-N 1 0 375.516 4.103 20 0 GIADRO C[C@](O)(C[NH2+]Cc1csc(-c2cccc(Br)c2)n1)c1ccco1 ZINC000174529900 822801807 /nfs/dbraw/zinc/80/18/07/822801807.db2.gz OVXQACHNESHXQX-KRWDZBQOSA-N 1 0 393.306 4.163 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2sc(-c3ccc(Cl)cc3)nc2C)C1 ZINC000174537914 822802771 /nfs/dbraw/zinc/80/27/71/822802771.db2.gz RIFXRROBEJCCHC-CQSZACIVSA-N 1 0 377.941 4.186 20 0 GIADRO CCOc1ccc(-c2nc(C(=O)N3CC[C@H](C[NH+]4CCCCC4)C3)cs2)cc1 ZINC000174539888 822802889 /nfs/dbraw/zinc/80/28/89/822802889.db2.gz FWDZSAZGEHKSPK-QGZVFWFLSA-N 1 0 399.560 4.157 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc(C)c(C)c1 ZINC000185620150 822803083 /nfs/dbraw/zinc/80/30/83/822803083.db2.gz ADEJSNJAJMZHSJ-ZFWWWQNUSA-N 1 0 396.457 4.357 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@H](C)C(=O)Nc1ccc(C)c(C)c1 ZINC000185620136 822803133 /nfs/dbraw/zinc/80/31/33/822803133.db2.gz ADEJSNJAJMZHSJ-DZGCQCFKSA-N 1 0 396.457 4.357 20 0 GIADRO Cc1nn(C)c(C)c1C[C@H](C)[NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000174543263 822803110 /nfs/dbraw/zinc/80/31/10/822803110.db2.gz LJDSUPVSCMMXAU-NSHDSACASA-N 1 0 380.319 4.340 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)N[C@@H](CC(F)(F)F)c1ccccc1)c1ccc(F)cc1 ZINC000052555034 822803456 /nfs/dbraw/zinc/80/34/56/822803456.db2.gz XOTRJNJMZOETKW-ROUUACIJSA-N 1 0 397.416 4.421 20 0 GIADRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1cnc(Cc2ccccc2F)s1 ZINC000185626255 822803866 /nfs/dbraw/zinc/80/38/66/822803866.db2.gz ZNRDLVNXSDQWKU-UHFFFAOYSA-N 1 0 387.524 4.010 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1ccc(-n2cc[nH]c2=S)cc1 ZINC000052590800 822804566 /nfs/dbraw/zinc/80/45/66/822804566.db2.gz MBWDXPIXOHGKLG-UHFFFAOYSA-N 1 0 392.528 4.061 20 0 GIADRO Cc1ccc(C(=O)c2ccccc2C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000174556481 822804662 /nfs/dbraw/zinc/80/46/62/822804662.db2.gz SFXJZNGPDIQUNA-FQEVSTJZSA-N 1 0 390.527 4.174 20 0 GIADRO O=C(c1csc(-c2ccc(Cl)cc2)n1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174556756 822804716 /nfs/dbraw/zinc/80/47/16/822804716.db2.gz YFNUSQLQDXXWQC-OAHLLOKOSA-N 1 0 389.952 4.412 20 0 GIADRO O=C([C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174559415 822804976 /nfs/dbraw/zinc/80/49/76/822804976.db2.gz YVRFOIOKVCJAHA-ATZDWAIDSA-N 1 0 380.454 4.143 20 0 GIADRO CCOc1ccc(Oc2ccc(NC(=O)N3CC[C@@H]([NH+]4CC=CC4)C3)cc2)cc1 ZINC000174558757 822804979 /nfs/dbraw/zinc/80/49/79/822804979.db2.gz JRBLHXMAGCFIIJ-LJQANCHMSA-N 1 0 393.487 4.356 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]CCC(=O)Nc1ccccc1C ZINC000185639490 822805369 /nfs/dbraw/zinc/80/53/69/822805369.db2.gz YKUDVRZUBZKERE-ZDUSSCGKSA-N 1 0 382.430 4.050 20 0 GIADRO COc1ccc(OCc2nc(C[NH2+][C@H](C)CCc3cccn3C)cs2)cc1 ZINC000174567739 822805952 /nfs/dbraw/zinc/80/59/52/822805952.db2.gz GWWJUBHVVSESGS-MRXNPFEDSA-N 1 0 385.533 4.180 20 0 GIADRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cccc(C(F)(F)F)c2)cc1OC ZINC000052660274 822806536 /nfs/dbraw/zinc/80/65/36/822806536.db2.gz FVLHLTOSSQUNLI-CHWSQXEVSA-N 1 0 396.409 4.400 20 0 GIADRO COC(=O)c1cc(C[NH2+][C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)c(C)s1 ZINC000185647871 822806556 /nfs/dbraw/zinc/80/65/56/822806556.db2.gz HJQBHKWXGBZOBZ-VIFPVBQESA-N 1 0 389.443 4.070 20 0 GIADRO O=C(N[C@H]1CCc2cc(F)c(F)c(F)c21)C1CC[NH+](Cc2ccccc2)CC1 ZINC000456438677 822807025 /nfs/dbraw/zinc/80/70/25/822807025.db2.gz CZRFPKRROASYQC-SFHVURJKSA-N 1 0 388.433 4.120 20 0 GIADRO COC(=O)COc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2C(C)C)cc1 ZINC000185678421 822809463 /nfs/dbraw/zinc/80/94/63/822809463.db2.gz OQXWZVQCMSPLNN-SJORKVTESA-N 1 0 398.503 4.040 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)NCc2ccc(C(F)F)cc2)CC1 ZINC000185685576 822810025 /nfs/dbraw/zinc/81/00/25/822810025.db2.gz MZXYVQIZUJTTIR-UHFFFAOYSA-N 1 0 387.474 4.430 20 0 GIADRO O=C(N[C@H]1CCO[C@H](c2cccs2)C1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000456497779 822810424 /nfs/dbraw/zinc/81/04/24/822810424.db2.gz FHQGJEBQVASIDB-PMACEKPBSA-N 1 0 384.545 4.384 20 0 GIADRO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)c2cccc(N3CCCC3)c2)cc1 ZINC000185691669 822810586 /nfs/dbraw/zinc/81/05/86/822810586.db2.gz HLNDWRYRFNOKDS-MOPGFXCFSA-N 1 0 386.561 4.108 20 0 GIADRO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@H+](C)CCCc1ccccc1 ZINC000052802673 822810993 /nfs/dbraw/zinc/81/09/93/822810993.db2.gz AAMCUASYXYNANU-UHFFFAOYSA-N 1 0 390.531 4.301 20 0 GIADRO C[C@H](NCC(=O)Nc1ccc(Cl)c(Cl)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185697279 822811244 /nfs/dbraw/zinc/81/12/44/822811244.db2.gz ILCKMSXDXOZIEL-KBPBESRZSA-N 1 0 384.351 4.175 20 0 GIADRO C[C@@H](NCc1nn(-c2ccccc2)c2c1CCC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185699599 822811340 /nfs/dbraw/zinc/81/13/40/822811340.db2.gz NIWIGURLXJYGET-MOPGFXCFSA-N 1 0 378.564 4.104 20 0 GIADRO CC(C)[C@@H](CNC(=O)c1ccc(-n2cc[nH]c2=S)cc1)[NH+]1CCC(C)CC1 ZINC000052822707 822811958 /nfs/dbraw/zinc/81/19/58/822811958.db2.gz OHZVNWCJQFTXPR-LJQANCHMSA-N 1 0 386.565 4.021 20 0 GIADRO Cc1cc(C[NH2+]C2CCC(O)(c3cccnc3)CC2)c(OC(F)F)cc1C ZINC000185703724 822811988 /nfs/dbraw/zinc/81/19/88/822811988.db2.gz KMKRWUBHPDTIGN-UHFFFAOYSA-N 1 0 376.447 4.220 20 0 GIADRO CC(C)[C@H](CNC(=O)c1ccc(-n2cc[nH]c2=S)cc1)[NH+]1CCC(C)CC1 ZINC000052822706 822811975 /nfs/dbraw/zinc/81/19/75/822811975.db2.gz OHZVNWCJQFTXPR-IBGZPJMESA-N 1 0 386.565 4.021 20 0 GIADRO C[C@H](N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(=O)Nc1cc(Cl)ccc1F ZINC000185706969 822812405 /nfs/dbraw/zinc/81/24/05/822812405.db2.gz JKHXHFWGBKRZJN-SOUVJXGZSA-N 1 0 381.923 4.049 20 0 GIADRO COC(=O)COc1ccc([C@H](C)[NH2+]Cc2ccc(Br)cc2C)cc1 ZINC000185708779 822812611 /nfs/dbraw/zinc/81/26/11/822812611.db2.gz JPLKIXPDHPGPKI-AWEZNQCLSA-N 1 0 392.293 4.160 20 0 GIADRO O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000174615743 822812861 /nfs/dbraw/zinc/81/28/61/822812861.db2.gz OYQCWZIRLOQNSN-SFHVURJKSA-N 1 0 390.512 4.441 20 0 GIADRO Cc1noc([C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3OCc3cccnc3)C2)n1 ZINC000052863039 822813116 /nfs/dbraw/zinc/81/31/16/822813116.db2.gz LILRJVJXUBDXIU-QGZVFWFLSA-N 1 0 398.894 4.385 20 0 GIADRO COCCC[NH+]1CCC(NC(=O)N2CCCC[C@H]2c2cccc(C)c2C)CC1 ZINC000174622080 822813779 /nfs/dbraw/zinc/81/37/79/822813779.db2.gz UZQJWQHKFBIGBH-QFIPXVFZSA-N 1 0 387.568 4.041 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCN(c2ncccc2Cl)C1)c1ccc(Br)cc1O ZINC000185719185 822814178 /nfs/dbraw/zinc/81/41/78/822814178.db2.gz RPHQQIHCXBMKIW-DGCLKSJQSA-N 1 0 396.716 4.133 20 0 GIADRO COc1ccc(-c2n[nH]cc2C[NH2+]C[C@H](OC(C)C)c2ccccc2OC)cc1 ZINC000185724792 822814766 /nfs/dbraw/zinc/81/47/66/822814766.db2.gz VLQOWCLURVQSAE-QFIPXVFZSA-N 1 0 395.503 4.350 20 0 GIADRO CCN(CC)C(=O)c1ccc(NC(=O)C[N@H+](C)[C@H](C)c2ccc(C)cc2)cc1 ZINC000052907410 822814828 /nfs/dbraw/zinc/81/48/28/822814828.db2.gz GUUSAAPIIAUSLB-GOSISDBHSA-N 1 0 381.520 4.109 20 0 GIADRO O=C(c1ccc(C[NH+]2CCSCC2)cc1)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000456552932 822815334 /nfs/dbraw/zinc/81/53/34/822815334.db2.gz FBQCYYQMMHKRNC-FQEVSTJZSA-N 1 0 382.529 4.196 20 0 GIADRO C[C@@H](C(=O)N1CCCCCC1)[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000052993687 822817996 /nfs/dbraw/zinc/81/79/96/822817996.db2.gz GLLAMTLITXKPLZ-HNNXBMFYSA-N 1 0 389.927 4.452 20 0 GIADRO COc1ccc(CNc2nnc(SCC[C@@H]3CCCC[N@@H+]3C)s2)cc1 ZINC000053007045 822818375 /nfs/dbraw/zinc/81/83/75/822818375.db2.gz XBCHLSBCCRBQPF-HNNXBMFYSA-N 1 0 378.567 4.125 20 0 GIADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2sccc2C(C)C)c1 ZINC000053057911 822820307 /nfs/dbraw/zinc/82/03/07/822820307.db2.gz MYBBGIDJEZTAQT-UHFFFAOYSA-N 1 0 387.549 4.195 20 0 GIADRO C[N@H+](CCCCc1ccccc1)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000053084043 822820758 /nfs/dbraw/zinc/82/07/58/822820758.db2.gz HSTZQCIMNVPMQZ-HXUWFJFHSA-N 1 0 384.483 4.178 20 0 GIADRO Cc1c2cccc(Br)c2oc1C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000456680695 822822013 /nfs/dbraw/zinc/82/20/13/822822013.db2.gz FWWMAEWFTHHPHS-UHFFFAOYSA-N 1 0 391.309 4.250 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)c1sc(C2CC2)nc1-c1ccccc1 ZINC000456679589 822822053 /nfs/dbraw/zinc/82/20/53/822822053.db2.gz BTSZOCHBKGDZKS-UHFFFAOYSA-N 1 0 381.545 4.434 20 0 GIADRO O=C(Cc1csc(-c2ccc(Cl)s2)n1)NC1CC[NH+](C2CCC2)CC1 ZINC000456681278 822822204 /nfs/dbraw/zinc/82/22/04/822822204.db2.gz HHJFHYKDLZQKEF-UHFFFAOYSA-N 1 0 395.981 4.201 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)c1cc(Br)cc2ccccc21 ZINC000456684344 822822390 /nfs/dbraw/zinc/82/23/90/822822390.db2.gz ONIFMGCCEFKGLM-UHFFFAOYSA-N 1 0 387.321 4.349 20 0 GIADRO Cc1cc(C)c(C[C@@H](C(=O)NC2CC[NH+](C3CCC3)CC2)C(F)(F)F)c(C)c1 ZINC000456684387 822822470 /nfs/dbraw/zinc/82/24/70/822822470.db2.gz OYLWCKKWNBYAEY-FQEVSTJZSA-N 1 0 396.497 4.466 20 0 GIADRO COc1cc(C(=O)NC2CC[NH+](C3CCC3)CC2)cc(Cl)c1OCC(C)C ZINC000456689028 822822860 /nfs/dbraw/zinc/82/28/60/822822860.db2.gz AFEMSKYXIGGGOW-UHFFFAOYSA-N 1 0 394.943 4.130 20 0 GIADRO Cc1ccc(OCc2ccc(C(=O)N(C)C3CC[NH+](C(C)C)CC3)o2)c(C)c1 ZINC000053138546 822823174 /nfs/dbraw/zinc/82/31/74/822823174.db2.gz UMPIASZTERRYPG-UHFFFAOYSA-N 1 0 384.520 4.420 20 0 GIADRO Cc1nc([C@@H]2CCCO2)sc1C(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000456691986 822823249 /nfs/dbraw/zinc/82/32/49/822823249.db2.gz AGZOISATEQJORK-INIZCTEOSA-N 1 0 393.597 4.276 20 0 GIADRO CCn1cc([C@H](C)NC(=O)[C@@H](c2cccc(C(F)(F)F)c2)[NH+](CC)CC)cn1 ZINC000456693896 822823520 /nfs/dbraw/zinc/82/35/20/822823520.db2.gz NPEGKBLLPUMXJE-KBXCAEBGSA-N 1 0 396.457 4.182 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)CCc3ccc([C@@H]4C[C@H]4C)o3)c(C)c2)CC1 ZINC000053175629 822824708 /nfs/dbraw/zinc/82/47/08/822824708.db2.gz ORCYJZCFYKUOAX-DYESRHJHSA-N 1 0 395.547 4.425 20 0 GIADRO C[C@@H]([NH2+]Cc1nc2ccccc2c(=O)n1C)[C@H](C)c1ccccc1C(F)(F)F ZINC000185824107 822824700 /nfs/dbraw/zinc/82/47/00/822824700.db2.gz JIUPUWFHLYSDMY-UONOGXRCSA-N 1 0 389.421 4.234 20 0 GIADRO Cc1cc(C)nc(SCC(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)n1 ZINC000053190162 822825619 /nfs/dbraw/zinc/82/56/19/822825619.db2.gz PAZWHBDGJJXEAB-OAHLLOKOSA-N 1 0 384.549 4.056 20 0 GIADRO COc1ccc(-c2nc(C(=O)N(CC(C)C)C3CC[NH+](C)CC3)cs2)cc1 ZINC000053223476 822826804 /nfs/dbraw/zinc/82/68/04/822826804.db2.gz RORYPLSUEFKWSI-UHFFFAOYSA-N 1 0 387.549 4.011 20 0 GIADRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)CCc1ncc(C(C)(C)C)o1 ZINC000185851410 822827370 /nfs/dbraw/zinc/82/73/70/822827370.db2.gz SMMLUJRBPHRPAE-QZTJIDSGSA-N 1 0 397.563 4.178 20 0 GIADRO COc1ccc([C@H](CNC(=O)N(C)[C@@H](C)c2ccc(F)cc2)[NH+]2CCCC2)cc1 ZINC000053235536 822827464 /nfs/dbraw/zinc/82/74/64/822827464.db2.gz YKDQSSJQNTWXOU-JTSKRJEESA-N 1 0 399.510 4.374 20 0 GIADRO CCCCN(C)C(=O)C1CC[NH+]([C@H](C)C(=O)Nc2cccc3ccccc32)CC1 ZINC000053240395 822827692 /nfs/dbraw/zinc/82/76/92/822827692.db2.gz MMXJSWNTXJUTPB-GOSISDBHSA-N 1 0 395.547 4.137 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)C(Cc1ccccc1)Cc1ccccc1 ZINC000456735155 822827832 /nfs/dbraw/zinc/82/78/32/822827832.db2.gz QHEHSKQSXXFXES-UHFFFAOYSA-N 1 0 376.544 4.221 20 0 GIADRO CC[NH+](CC)[C@H](C(=O)NCCC[C@@H]1CCOC1)c1cccc(C(F)(F)F)c1 ZINC000456742746 822828769 /nfs/dbraw/zinc/82/87/69/822828769.db2.gz KXNZSHHRSXJPKK-QAPCUYQASA-N 1 0 386.458 4.021 20 0 GIADRO CCOc1cc(C[N@H+](C)CCC(=O)Nc2ccccc2C)ccc1OC(F)F ZINC000174725277 822828808 /nfs/dbraw/zinc/82/88/08/822828808.db2.gz LQMZGVWWFDOCOE-UHFFFAOYSA-N 1 0 392.446 4.456 20 0 GIADRO CN(C)C(=O)Sc1cccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)c1 ZINC000174731414 822829692 /nfs/dbraw/zinc/82/96/92/822829692.db2.gz QXGBGHWSZLNSFV-FQEVSTJZSA-N 1 0 397.544 4.454 20 0 GIADRO Cc1cc(CSc2ccccc2C(=O)NCC2(C[NH+](C)C)CCCC2)on1 ZINC000185901218 822831379 /nfs/dbraw/zinc/83/13/79/822831379.db2.gz ZSQPXVSCDUSFID-UHFFFAOYSA-N 1 0 387.549 4.127 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)Cc2ccccc2F)CC1 ZINC000456790976 822831423 /nfs/dbraw/zinc/83/14/23/822831423.db2.gz XTCKETUMKSXWEK-UHFFFAOYSA-N 1 0 376.859 4.133 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)[C@H]2CC23CCSCC3)CC1 ZINC000456792379 822831561 /nfs/dbraw/zinc/83/15/61/822831561.db2.gz OPUOKCJTALSSHQ-MRXNPFEDSA-N 1 0 394.968 4.285 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)COC2CCCCC2)CC1 ZINC000456794062 822831723 /nfs/dbraw/zinc/83/17/23/822831723.db2.gz RCVAVCDWCMCRMM-UHFFFAOYSA-N 1 0 380.916 4.101 20 0 GIADRO COc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H](C)[N@H+](C)CCC(C)C)cc1 ZINC000053363904 822831790 /nfs/dbraw/zinc/83/17/90/822831790.db2.gz WLCMTPWXBXDYAX-QGZVFWFLSA-N 1 0 397.519 4.252 20 0 GIADRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2cccc(NC(=O)c3ccco3)c2)C1 ZINC000053417549 822833988 /nfs/dbraw/zinc/83/39/88/822833988.db2.gz NZFMMZMPZJSEQM-ROUUACIJSA-N 1 0 397.519 4.020 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)CC[N@@H+]1C ZINC000174768663 822834726 /nfs/dbraw/zinc/83/47/26/822834726.db2.gz QETTVLHSHIYMPS-QAPCUYQASA-N 1 0 378.476 4.441 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)Cc2coc(-c3ccc(Br)cc3)n2)[C@H](C)C1 ZINC000174773506 822835207 /nfs/dbraw/zinc/83/52/07/822835207.db2.gz XNSAHZOQAGIGNA-RDTXWAMCSA-N 1 0 392.341 4.266 20 0 GIADRO CCCCOc1ccc(OC)cc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000174773139 822835233 /nfs/dbraw/zinc/83/52/33/822835233.db2.gz NKLPDYMNGNCNSW-MSOLQXFVSA-N 1 0 389.540 4.353 20 0 GIADRO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1cc2ccccc2[nH]c1=O ZINC000185937508 822835299 /nfs/dbraw/zinc/83/52/99/822835299.db2.gz QHGXDRDVRILNGW-UXPWSPDFSA-N 1 0 382.504 4.003 20 0 GIADRO COc1ccc2oc([C@H](C)NC(=O)N(C)CC[C@@H]3CCCC[N@@H+]3C)c(C)c2c1 ZINC000174779974 822836002 /nfs/dbraw/zinc/83/60/02/822836002.db2.gz DTUUBAPFXKQPMB-IRXDYDNUSA-N 1 0 387.524 4.327 20 0 GIADRO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)C1 ZINC000174780416 822836120 /nfs/dbraw/zinc/83/61/20/822836120.db2.gz QARYGWCVXBCFTB-HXUWFJFHSA-N 1 0 395.507 4.279 20 0 GIADRO C[C@@H](NC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccc(F)cc1F ZINC000053524032 822838727 /nfs/dbraw/zinc/83/87/27/822838727.db2.gz YBGVTTSDZUAYRM-RDTXWAMCSA-N 1 0 377.435 4.145 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc(Cl)s2)[C@@H]1c1cccs1 ZINC000174800136 822838879 /nfs/dbraw/zinc/83/88/79/822838879.db2.gz IPMOIHUWUNHMKI-BLLLJJGKSA-N 1 0 383.970 4.345 20 0 GIADRO CN(Cc1cccc(Cl)c1Cl)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000053530003 822839358 /nfs/dbraw/zinc/83/93/58/822839358.db2.gz LQNLPPDWZQZSCK-CQSZACIVSA-N 1 0 386.348 4.499 20 0 GIADRO CC1(C)CC(NC(=O)N2CC[C@H](CSc3ccccc3)C2)CC(C)(C)[NH2+]1 ZINC000174803697 822839440 /nfs/dbraw/zinc/83/94/40/822839440.db2.gz PJZRRMLTSODXLW-INIZCTEOSA-N 1 0 375.582 4.119 20 0 GIADRO C[NH+](C)CC(C)(C)CNC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000053565318 822840974 /nfs/dbraw/zinc/84/09/74/822840974.db2.gz TVKJVUXBLXJINB-UHFFFAOYSA-N 1 0 395.425 4.210 20 0 GIADRO CCSCc1cc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)no1 ZINC000185987828 822841449 /nfs/dbraw/zinc/84/14/49/822841449.db2.gz OPMPBBAJWHFQBB-AEFFLSMTSA-N 1 0 387.549 4.053 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)NCC2(Sc3ccccc3)CCCC2)CC[N@@H+]1C ZINC000174822501 822842052 /nfs/dbraw/zinc/84/20/52/822842052.db2.gz BBNUWFSYFBLBHX-ZWKOTPCHSA-N 1 0 375.582 4.216 20 0 GIADRO O=C(c1ccccc1)N1CCC([NH2+]Cc2ccc(-c3ccccc3F)o2)CC1 ZINC000053601686 822842203 /nfs/dbraw/zinc/84/22/03/822842203.db2.gz OMMZXGDLIXISNY-UHFFFAOYSA-N 1 0 378.447 4.480 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)NCCc2nc(C(F)(F)F)cs2)cc1)C(C)C ZINC000174826437 822842458 /nfs/dbraw/zinc/84/24/58/822842458.db2.gz KTRQVRUGJYYJIX-UHFFFAOYSA-N 1 0 399.482 4.365 20 0 GIADRO COc1cccc([C@H]2C[C@H](N(C)C(=O)c3ccc(C[NH+]4CCCC4)cc3)C2)c1 ZINC000456930368 822842578 /nfs/dbraw/zinc/84/25/78/822842578.db2.gz XAWJTQVHWPOZCG-HZCBDIJESA-N 1 0 378.516 4.309 20 0 GIADRO NC(=O)c1ccc(-c2nc(C[NH+]3CCC(c4ccccc4)CC3)cs2)cc1 ZINC000053606658 822842600 /nfs/dbraw/zinc/84/26/00/822842600.db2.gz OVLCHOOOHYCQKP-UHFFFAOYSA-N 1 0 377.513 4.289 20 0 GIADRO CC(C)(C)C[C@@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1ccccc1 ZINC000186036499 822846015 /nfs/dbraw/zinc/84/60/15/822846015.db2.gz NUOQBVLUXPONKL-OAQYLSRUSA-N 1 0 386.561 4.494 20 0 GIADRO COc1ccc(COCC(=O)Nc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)cc1 ZINC000053722200 822846216 /nfs/dbraw/zinc/84/62/16/822846216.db2.gz IMSVQZDYOFLGCT-GOSISDBHSA-N 1 0 382.504 4.225 20 0 GIADRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)Nc1cccc(NC(=O)C2CC2)c1 ZINC000186042266 822846591 /nfs/dbraw/zinc/84/65/91/822846591.db2.gz ZBCZXABEBRGMIJ-UHFFFAOYSA-N 1 0 386.540 4.201 20 0 GIADRO Cc1cc2c(cc1C)[C@H](C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)CO2 ZINC000186050095 822847196 /nfs/dbraw/zinc/84/71/96/822847196.db2.gz NOJSSOPCYQIYLY-BLIXFSHQSA-N 1 0 384.545 4.040 20 0 GIADRO Cc1nc(CSc2ccc(C(=O)NC(C)(C)C[NH+]3CCCC3)cc2)cs1 ZINC000457042221 822847704 /nfs/dbraw/zinc/84/77/04/822847704.db2.gz VQVOBQBCECYYQS-UHFFFAOYSA-N 1 0 389.590 4.348 20 0 GIADRO COc1ccccc1OCC[NH2+][C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000053780474 822847988 /nfs/dbraw/zinc/84/79/88/822847988.db2.gz YDOLWYOPCWAHJQ-QFIPXVFZSA-N 1 0 376.456 4.044 20 0 GIADRO COc1cc(F)cc(C[C@@H](C)NC(=O)c2oc3ccccc3c2C[NH+](C)C)c1 ZINC000457048789 822848251 /nfs/dbraw/zinc/84/82/51/822848251.db2.gz FOSIFRLQCKTWLG-CQSZACIVSA-N 1 0 384.451 4.003 20 0 GIADRO O=C(CC[NH+]1CCC(C(=O)C(F)(F)F)CC1)Nc1c(Cl)cccc1Cl ZINC000186060583 822848299 /nfs/dbraw/zinc/84/82/99/822848299.db2.gz RVEDXYYCRCVZBA-UHFFFAOYSA-N 1 0 397.224 4.165 20 0 GIADRO CN(C)c1nc2sc(C(=O)Nc3ccc(C[NH+]4CCCC4)cc3)cc2s1 ZINC000053795652 822848294 /nfs/dbraw/zinc/84/82/94/822848294.db2.gz XMYXJUDHXUTNKR-UHFFFAOYSA-N 1 0 386.546 4.272 20 0 GIADRO CC(C)(C(=O)NCC[N@@H+]1CCCC1(C)C)c1csc(-c2cccs2)n1 ZINC000457057901 822848747 /nfs/dbraw/zinc/84/87/47/822848747.db2.gz OUPOELGACWOWGP-UHFFFAOYSA-N 1 0 377.579 4.140 20 0 GIADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)c3scnc3Cl)cc2)C1 ZINC000053813282 822849074 /nfs/dbraw/zinc/84/90/74/822849074.db2.gz CGBISBZTDBMYRJ-ZIAGYGMSSA-N 1 0 377.941 4.204 20 0 GIADRO C[C@@H](O)CC(C)(C)CNC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000174871257 822849084 /nfs/dbraw/zinc/84/90/84/822849084.db2.gz CIGZDAQPBBEVHM-GOSISDBHSA-N 1 0 397.563 4.012 20 0 GIADRO Cc1cc(C(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)c(C)cc1Cl ZINC000457063908 822849393 /nfs/dbraw/zinc/84/93/93/822849393.db2.gz FQFTUUKFHOYHMD-UHFFFAOYSA-N 1 0 376.850 4.446 20 0 GIADRO CN(C(=O)c1coc(C2CCCCC2)n1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457068942 822849854 /nfs/dbraw/zinc/84/98/54/822849854.db2.gz MYSVBWGITDESNR-UHFFFAOYSA-N 1 0 387.446 4.211 20 0 GIADRO CN(C(=O)c1ccc(Cl)c(N)c1Cl)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457070907 822849994 /nfs/dbraw/zinc/84/99/94/822849994.db2.gz PMFYTMBLENHGBG-UHFFFAOYSA-N 1 0 398.256 4.064 20 0 GIADRO CC(C)Cc1ccc(CC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000457078499 822850604 /nfs/dbraw/zinc/85/06/04/822850604.db2.gz DHAPZIDSVXULSS-UHFFFAOYSA-N 1 0 384.486 4.303 20 0 GIADRO C[C@@H](C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)c1cccc(Cl)c1 ZINC000457079393 822850734 /nfs/dbraw/zinc/85/07/34/822850734.db2.gz FECFICOWVDGIMV-CYBMUJFWSA-N 1 0 376.850 4.319 20 0 GIADRO CN(C(=O)c1[nH]c2ccccc2c1Cl)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457080638 822850932 /nfs/dbraw/zinc/85/09/32/822850932.db2.gz GNNIVVBFTJVBBM-UHFFFAOYSA-N 1 0 387.833 4.310 20 0 GIADRO Cc1cc(C(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)nc2ccccc12 ZINC000457083386 822851280 /nfs/dbraw/zinc/85/12/80/822851280.db2.gz KCOPEWHVSSXYOT-UHFFFAOYSA-N 1 0 379.426 4.032 20 0 GIADRO CN(C(=O)Cc1cccc2ccccc21)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457083757 822851347 /nfs/dbraw/zinc/85/13/47/822851347.db2.gz KTUCLUUJYPPCLK-UHFFFAOYSA-N 1 0 378.438 4.258 20 0 GIADRO CN(C(=O)c1ccc(OC(C)(C)C)cc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457084560 822851420 /nfs/dbraw/zinc/85/14/20/822851420.db2.gz LSHOAYUSFTVKGD-UHFFFAOYSA-N 1 0 386.458 4.353 20 0 GIADRO CN(C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457085674 822851650 /nfs/dbraw/zinc/85/16/50/822851650.db2.gz MUEMBHZDNUJVSR-STQMWFEESA-N 1 0 388.396 4.230 20 0 GIADRO COc1ccccc1N1CC[C@@H]([NH2+][C@@H](C)c2ccc3ccccc3c2O)C1=O ZINC000186102133 822851942 /nfs/dbraw/zinc/85/19/42/822851942.db2.gz WBFRETGKFYHFED-HNAYVOBHSA-N 1 0 376.456 4.010 20 0 GIADRO CN(C(=O)c1c[nH]cc1-c1ccccc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457090017 822852372 /nfs/dbraw/zinc/85/23/72/822852372.db2.gz UUSZAJFVXNAPNA-UHFFFAOYSA-N 1 0 379.426 4.171 20 0 GIADRO CC[C@@H](Sc1ccccc1)C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457089994 822852392 /nfs/dbraw/zinc/85/23/92/822852392.db2.gz UPMISZWXBWYBMW-QGZVFWFLSA-N 1 0 388.499 4.433 20 0 GIADRO CC[C@@H]([NH2+][C@H](C)c1sccc1OC)c1ccccc1OCC(=O)N(C)C ZINC000186116354 822853065 /nfs/dbraw/zinc/85/30/65/822853065.db2.gz XYEGNOIBVLVRMP-GDBMZVCRSA-N 1 0 376.522 4.026 20 0 GIADRO Cc1nn(Cc2ccccc2)c2sc(C(=O)N(C)[C@H]3CC[N@@H+](C(C)C)C3)cc12 ZINC000457107096 822853502 /nfs/dbraw/zinc/85/35/02/822853502.db2.gz DUZOHMVUMHOXQW-SFHVURJKSA-N 1 0 396.560 4.009 20 0 GIADRO Cc1ccn(-c2ccccc2C[NH2+][C@@H](C)c2ccc(Br)cc2O)n1 ZINC000186123092 822853569 /nfs/dbraw/zinc/85/35/69/822853569.db2.gz QFMKMFXIZFJWTH-AWEZNQCLSA-N 1 0 386.293 4.500 20 0 GIADRO Cc1ccc(C)c2c1CCC[C@H]2[NH2+]Cc1cccc(C(=O)NC[C@@H]2CCCO2)c1 ZINC000186125982 822853909 /nfs/dbraw/zinc/85/39/09/822853909.db2.gz OLNVLQHEBDEPQW-JTHBVZDNSA-N 1 0 392.543 4.379 20 0 GIADRO C[C@H](CC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)C(=O)c1cccc(F)c1 ZINC000174907839 822854115 /nfs/dbraw/zinc/85/41/15/822854115.db2.gz BPWVBQGLKAJTRO-MSOLQXFVSA-N 1 0 396.506 4.376 20 0 GIADRO CC(C)[NH+]1CCC(NC(=O)N(CCc2ccccc2)Cc2ccccc2)CC1 ZINC000053962952 822854592 /nfs/dbraw/zinc/85/45/92/822854592.db2.gz IELUFQKQKLUMJT-UHFFFAOYSA-N 1 0 379.548 4.314 20 0 GIADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000457123594 822855533 /nfs/dbraw/zinc/85/55/33/822855533.db2.gz PHUXJPJBEOMHMA-OAHLLOKOSA-N 1 0 397.466 4.384 20 0 GIADRO CCCC1(C(=O)N2CCC([NH+]3CCN(c4cccc(Cl)c4)CC3)CC2)CC1 ZINC000457124100 822855597 /nfs/dbraw/zinc/85/55/97/822855597.db2.gz XDONHVXSTSEQIC-UHFFFAOYSA-N 1 0 389.971 4.033 20 0 GIADRO Cc1ccc(-c2ocnc2C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000174923104 822856539 /nfs/dbraw/zinc/85/65/39/822856539.db2.gz RHGQQOMORCJJCJ-HXUWFJFHSA-N 1 0 389.499 4.244 20 0 GIADRO COc1ccc(NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1OC ZINC000054003360 822856685 /nfs/dbraw/zinc/85/66/85/822856685.db2.gz WIKQZCLJERWDRG-UHFFFAOYSA-N 1 0 383.492 4.011 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(N2CCCC2)c(F)c1 ZINC000174928636 822857350 /nfs/dbraw/zinc/85/73/50/822857350.db2.gz YNYDVMGFEZBYEH-HXUWFJFHSA-N 1 0 395.522 4.020 20 0 GIADRO C[C@@H](C(=O)NCCCC[N@H+](C)C1CC1)c1cccc(C(=O)c2ccccc2)c1 ZINC000457162448 822858261 /nfs/dbraw/zinc/85/82/61/822858261.db2.gz FSUQMXDSNJUMRB-GOSISDBHSA-N 1 0 378.516 4.012 20 0 GIADRO Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000457172330 822858871 /nfs/dbraw/zinc/85/88/71/822858871.db2.gz UNXIHAIIRMPRQF-UHFFFAOYSA-N 1 0 385.577 4.382 20 0 GIADRO C[N@@H+]1CCCN(c2ccc(NC(=O)CCCCC(=O)c3ccccc3)cc2)CC1 ZINC000054012646 822858957 /nfs/dbraw/zinc/85/89/57/822858957.db2.gz GAFJAGRUQLGPFG-UHFFFAOYSA-N 1 0 393.531 4.210 20 0 GIADRO COc1ccsc1[C@H](C)[NH2+]CCC(=O)Nc1cc(C)c(Cl)cc1OC ZINC000186185961 822858989 /nfs/dbraw/zinc/85/89/89/822858989.db2.gz GBFUNBJXRQJVCB-LBPRGKRZSA-N 1 0 382.913 4.407 20 0 GIADRO CSCCCCCNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000186185105 822859100 /nfs/dbraw/zinc/85/91/00/822859100.db2.gz KNLJVMXHPHSHNN-NHCUHLMSSA-N 1 0 389.609 4.216 20 0 GIADRO O=C(Cc1cccnc1)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457191895 822859668 /nfs/dbraw/zinc/85/96/68/822859668.db2.gz BZJKPNSDXBRVFW-DEOSSOPVSA-N 1 0 391.559 4.308 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)c2oc3ccccc3c2COC)c1 ZINC000054032437 822859670 /nfs/dbraw/zinc/85/96/70/822859670.db2.gz LHTICAXBPSLJGT-UHFFFAOYSA-N 1 0 380.488 4.351 20 0 GIADRO C[C@H]([NH2+]C(C)(C)CNC(=O)N1C[C@H](C)C[C@H]1c1cccnc1)c1ccccc1 ZINC000186199671 822860142 /nfs/dbraw/zinc/86/01/42/822860142.db2.gz CJLYORXAMVZZEN-LQWHRVPQSA-N 1 0 380.536 4.304 20 0 GIADRO CC(C)n1ncc2cc(CN(C)[C@@H]3CCC[N@H+](Cc4ccccc4)C3)cnc21 ZINC000174955575 822860699 /nfs/dbraw/zinc/86/06/99/822860699.db2.gz PGQYXAMYCSWTFV-JOCHJYFZSA-N 1 0 377.536 4.109 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000174957281 822860994 /nfs/dbraw/zinc/86/09/94/822860994.db2.gz XZGUMUDAQIGAIQ-KRWDZBQOSA-N 1 0 376.422 4.300 20 0 GIADRO Cc1cc(C(=O)CCC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C)s1 ZINC000174957945 822861160 /nfs/dbraw/zinc/86/11/60/822861160.db2.gz PGWAVPILXLOKLC-HXUWFJFHSA-N 1 0 398.572 4.308 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)N[C@H](C)c2cc(OC)ccc2OC)cc1 ZINC000054072790 822861420 /nfs/dbraw/zinc/86/14/20/822861420.db2.gz LSBXLRMGCJXIDH-QGZVFWFLSA-N 1 0 399.535 4.106 20 0 GIADRO CCCCc1ccc(CC(=O)Nc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)cc1 ZINC000186218257 822861769 /nfs/dbraw/zinc/86/17/69/822861769.db2.gz MGLGSUQBPHQMAJ-UHFFFAOYSA-N 1 0 395.547 4.409 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cnc(-c2ccccc2)s1 ZINC000174969494 822862615 /nfs/dbraw/zinc/86/26/15/822862615.db2.gz DCKBAJHTPYKGKO-IBGZPJMESA-N 1 0 391.540 4.404 20 0 GIADRO COc1cc(NC(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)ccc1OC(C)C ZINC000186230094 822862902 /nfs/dbraw/zinc/86/29/02/822862902.db2.gz FVCYWMLNALBQRQ-GOSISDBHSA-N 1 0 389.471 4.046 20 0 GIADRO CC(C)c1nc([C@H](C)[NH2+]C2CCN(CC(=O)Nc3ccccc3)CC2)cs1 ZINC000186232323 822863043 /nfs/dbraw/zinc/86/30/43/822863043.db2.gz OULKNRYMKYUCCL-INIZCTEOSA-N 1 0 386.565 4.020 20 0 GIADRO Cc1ccc(C[C@H](NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c2ccccn2)cc1 ZINC000174999565 822865554 /nfs/dbraw/zinc/86/55/54/822865554.db2.gz GPIMGVHQPMVBQS-GGAORHGYSA-N 1 0 394.563 4.190 20 0 GIADRO C[C@H](NC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2)c1cc(Cl)ccc1Cl ZINC000568963899 822865641 /nfs/dbraw/zinc/86/56/41/822865641.db2.gz CCCIJVCYNQHFFL-GWCFXTLKSA-N 1 0 379.291 4.087 20 0 GIADRO Cn1ccnc1COc1ccc(C[NH+]2CCC(C(=O)c3ccccc3)CC2)cc1 ZINC000054173304 822865730 /nfs/dbraw/zinc/86/57/30/822865730.db2.gz LLQWLEQTCJPVFK-UHFFFAOYSA-N 1 0 389.499 4.094 20 0 GIADRO CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]Cc2cccc3c2OCCO3)cc1 ZINC000054175509 822865814 /nfs/dbraw/zinc/86/58/14/822865814.db2.gz IOYNRPLOFJPXGG-MRXNPFEDSA-N 1 0 383.492 4.182 20 0 GIADRO O=C(NCc1ccncc1)Nc1cccc(C[NH2+][C@H]2CCc3ccc(F)cc32)c1 ZINC000175006481 822866131 /nfs/dbraw/zinc/86/61/31/822866131.db2.gz MSBOUIHWWQIWEY-QFIPXVFZSA-N 1 0 390.462 4.320 20 0 GIADRO Cc1ccc(NC(=O)c2ccc(F)c(Cl)c2F)cc1NC(=O)CC[NH+](C)C ZINC000186258639 822866114 /nfs/dbraw/zinc/86/61/14/822866114.db2.gz JJFHWOTVLYGMAA-UHFFFAOYSA-N 1 0 395.837 4.069 20 0 GIADRO O=C(Nc1ccccn1)[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc3cccnc32)C1 ZINC000054182533 822866315 /nfs/dbraw/zinc/86/63/15/822866315.db2.gz MUPCBKVZLBURCL-MRXNPFEDSA-N 1 0 380.879 4.134 20 0 GIADRO CCCOc1ccc(C(F)(F)F)cc1NC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000568971736 822866584 /nfs/dbraw/zinc/86/65/84/822866584.db2.gz KRCCYBPVMJVBGZ-CABCVRRESA-N 1 0 399.457 4.348 20 0 GIADRO CNC(=O)CC1CC[NH+](Cc2ccc(-c3ccc(Br)cc3)o2)CC1 ZINC000175009223 822866595 /nfs/dbraw/zinc/86/65/95/822866595.db2.gz NESYQYRIASNYDV-UHFFFAOYSA-N 1 0 391.309 4.057 20 0 GIADRO Cc1ccc(NC(=O)C2(c3cccc(F)c3)CCC2)cc1NC(=O)CC[NH+](C)C ZINC000186262699 822866650 /nfs/dbraw/zinc/86/66/50/822866650.db2.gz XXTDCKULEXPZKM-UHFFFAOYSA-N 1 0 397.494 4.085 20 0 GIADRO Cc1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1NC(=O)CC[NH+](C)C ZINC000186264535 822866744 /nfs/dbraw/zinc/86/67/44/822866744.db2.gz AHEAIKWQWGPUDX-UHFFFAOYSA-N 1 0 395.837 4.069 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2OC(F)F)cc1 ZINC000054194051 822867037 /nfs/dbraw/zinc/86/70/37/822867037.db2.gz RWFHNQIPXINQOO-KBPBESRZSA-N 1 0 378.419 4.365 20 0 GIADRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+][C@@H]3CCCN(C(C)C)C3=O)s2)cc1 ZINC000175011712 822867116 /nfs/dbraw/zinc/86/71/16/822867116.db2.gz ZXHGTRVQYLDZLE-RDTXWAMCSA-N 1 0 387.549 4.177 20 0 GIADRO CCS[C@@H]1CCCC[C@@H]1NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000175013493 822867306 /nfs/dbraw/zinc/86/73/06/822867306.db2.gz XORPQHPGHBRASR-LEWJYISDSA-N 1 0 389.609 4.357 20 0 GIADRO Cc1nc(-c2cc3c(s2)CCN(C(=O)[C@H]([NH3+])c2ccc(C)cc2)C3)cs1 ZINC000568986078 822867704 /nfs/dbraw/zinc/86/77/04/822867704.db2.gz KGIUTCYLYGMTEJ-LJQANCHMSA-N 1 0 383.542 4.073 20 0 GIADRO OC1CC[NH+](Cc2ccccc2CNCc2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000175017373 822868070 /nfs/dbraw/zinc/86/80/70/822868070.db2.gz RVGIKZCJGDWUIW-UHFFFAOYSA-N 1 0 394.490 4.332 20 0 GIADRO Cc1cc(Cl)c(C(=O)Nc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)cc1C ZINC000186276605 822868943 /nfs/dbraw/zinc/86/89/43/822868943.db2.gz FZFHEOCULHJHJT-UHFFFAOYSA-N 1 0 387.911 4.408 20 0 GIADRO COc1ccc([C@@H](NC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C2CC2)cc1 ZINC000054218605 822868972 /nfs/dbraw/zinc/86/89/72/822868972.db2.gz HENFXPNXQMVDKF-FPOVZHCZSA-N 1 0 399.560 4.344 20 0 GIADRO C[C@H](c1ccc(F)cc1)N(C)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000054218769 822869043 /nfs/dbraw/zinc/86/90/43/822869043.db2.gz IACALIQZUFVEQX-QAPCUYQASA-N 1 0 375.513 4.427 20 0 GIADRO Cc1nn(CC(C)C)c(C)c1CCC(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000054224910 822869464 /nfs/dbraw/zinc/86/94/64/822869464.db2.gz BMMBDNLIESIRLZ-UGKGYDQZSA-N 1 0 396.579 4.040 20 0 GIADRO CC(C)c1nc([C@H](C)[NH2+]C[C@@H](c2cccc(F)c2)N2CCOCC2)cs1 ZINC000186283411 822870157 /nfs/dbraw/zinc/87/01/57/822870157.db2.gz ONYUQEIGEKXJCP-KXBFYZLASA-N 1 0 377.529 4.130 20 0 GIADRO CC[C@@H](CC(=O)N1CCC[C@H]([NH3+])[C@@H]1c1ccccc1OC)c1ccc(OC)cc1 ZINC000457359228 822870190 /nfs/dbraw/zinc/87/01/90/822870190.db2.gz DKYRLOJKLSTRRE-JBUDQFAYSA-N 1 0 396.531 4.279 20 0 GIADRO Cc1nn(-c2ccccc2Cl)c2sc(C(=O)N3CCC[C@@H]([NH3+])[C@H]3C)cc12 ZINC000457361455 822870227 /nfs/dbraw/zinc/87/02/27/822870227.db2.gz ZOTCQRMNDRNLQZ-IUODEOHRSA-N 1 0 388.924 4.001 20 0 GIADRO CC[NH2+]Cc1cccc(NC(=O)C2(c3ccc(OC)c(OC)c3)CCCC2)c1 ZINC000457362802 822870327 /nfs/dbraw/zinc/87/03/27/822870327.db2.gz HSLPUOUAOMTLSX-UHFFFAOYSA-N 1 0 382.504 4.264 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)/C=C/c2nc3ccccc3s2)CC1 ZINC000175027465 822870328 /nfs/dbraw/zinc/87/03/28/822870328.db2.gz XLGRQCADPZPSHE-VAWYXSNFSA-N 1 0 391.540 4.433 20 0 GIADRO Cc1nc(C(F)(F)F)ccc1C(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000175027739 822870499 /nfs/dbraw/zinc/87/04/99/822870499.db2.gz CPPDCGFXOSQCEE-UHFFFAOYSA-N 1 0 391.437 4.145 20 0 GIADRO C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000457369745 822871010 /nfs/dbraw/zinc/87/10/10/822871010.db2.gz DGCAXRPRKDABLV-NXHRZFHOSA-N 1 0 383.458 4.196 20 0 GIADRO Cc1cccc(OCCCCC(=O)N2CC[C@@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)c1 ZINC000457374517 822871268 /nfs/dbraw/zinc/87/12/68/822871268.db2.gz WTKRBBYMDMHULX-VXKWHMMOSA-N 1 0 384.495 4.027 20 0 GIADRO [NH3+][C@@H]1CN(C(=O)c2cc(Cl)ccc2OC(F)F)CC[C@H]1c1ccc(F)cc1 ZINC000457380934 822871636 /nfs/dbraw/zinc/87/16/36/822871636.db2.gz OXUVXOWBKSAPKB-GOEBONIOSA-N 1 0 398.812 4.038 20 0 GIADRO Cc1cc(C[NH3+])cc(NC(=O)c2ccoc2CN2c3ccccc3C[C@@H]2C)c1 ZINC000457382362 822871709 /nfs/dbraw/zinc/87/17/09/822871709.db2.gz RMWMAXXYBOHECT-INIZCTEOSA-N 1 0 375.472 4.250 20 0 GIADRO Cc1csc(Nc2ccc(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)cc2)n1 ZINC000569037119 822871845 /nfs/dbraw/zinc/87/18/45/822871845.db2.gz IBFXUNFFOQWUHI-FQEVSTJZSA-N 1 0 392.528 4.199 20 0 GIADRO [NH3+][C@H]1CN(C(=O)CCc2ccc(-c3ccccc3)[nH]2)CC[C@@H]1c1ccc(F)cc1 ZINC000457386899 822871983 /nfs/dbraw/zinc/87/19/83/822871983.db2.gz UHDOZERGBDALIR-YADHBBJMSA-N 1 0 391.490 4.097 20 0 GIADRO CCc1ccc2occ(C(=O)N3CC[C@@H](c4ccc(OC)c(F)c4)[C@H]([NH3+])C3)c2c1 ZINC000457385288 822872009 /nfs/dbraw/zinc/87/20/09/822872009.db2.gz SFEGGXQPIXSWSC-OXJNMPFZSA-N 1 0 396.462 4.100 20 0 GIADRO COc1ccc([C@@H]2CCN(C(=O)c3cc4ccccc4s3)C[C@@H]2[NH3+])cc1F ZINC000457389201 822872278 /nfs/dbraw/zinc/87/22/78/822872278.db2.gz VNNSVUQWVYHLRT-RDJZCZTQSA-N 1 0 384.476 4.006 20 0 GIADRO COc1ccc([C@H]2CCN(C(=O)c3ccc(Cl)cc3Cl)C[C@H]2[NH3+])cc1F ZINC000457391995 822872559 /nfs/dbraw/zinc/87/25/59/822872559.db2.gz YOCAVEPTSWSUTP-CXAGYDPISA-N 1 0 397.277 4.098 20 0 GIADRO C[C@@H](CCc1ccccc1)NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457394370 822872566 /nfs/dbraw/zinc/87/25/66/822872566.db2.gz AHHMYCMKZPQPLL-INIZCTEOSA-N 1 0 385.474 4.066 20 0 GIADRO CC[C@@]1(CNC(=O)c2oc3ccccc3c2C[NH+](C)C)OCCc2ccccc21 ZINC000569045898 822873100 /nfs/dbraw/zinc/87/31/00/822873100.db2.gz PVEJYFWQRSNUEA-DEOSSOPVSA-N 1 0 392.499 4.102 20 0 GIADRO C[C@H](c1nc(-c2ccccc2)no1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000569054333 822874424 /nfs/dbraw/zinc/87/44/24/822874424.db2.gz HPBHXVRFGGVWRV-BVYCBKJFSA-N 1 0 388.515 4.252 20 0 GIADRO CC(C)[C@@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)N[C@@H](C)C3CCCCC3)c2C1 ZINC000175059551 822875548 /nfs/dbraw/zinc/87/55/48/822875548.db2.gz RNNHGHMXGWGAFZ-DLBZAZTESA-N 1 0 385.552 4.070 20 0 GIADRO CC(C)c1cccc(CC(=O)N[C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)c1 ZINC000457449297 822876005 /nfs/dbraw/zinc/87/60/05/822876005.db2.gz PZIZSDCELIHZFC-QFIPXVFZSA-N 1 0 392.543 4.457 20 0 GIADRO CCc1cccc(CC)c1NC(=O)CN1CCC[N@H+](CC2CCCCC2)CC1 ZINC000054318629 822876019 /nfs/dbraw/zinc/87/60/19/822876019.db2.gz YXGQHCURUHNXIB-UHFFFAOYSA-N 1 0 385.596 4.338 20 0 GIADRO COc1cc(C[NH2+]C[C@H]2CCCO[C@@H]2C(C)C)ccc1OCc1ccncc1 ZINC000175062278 822876028 /nfs/dbraw/zinc/87/60/28/822876028.db2.gz WOZSDBGFEQSTMJ-NFBKMPQASA-N 1 0 384.520 4.210 20 0 GIADRO C[C@@H]([NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)[C@@H](c1ccccc1)N(C)C ZINC000186324587 822876283 /nfs/dbraw/zinc/87/62/83/822876283.db2.gz VNKJCDDBWLLXOP-VGSWGCGISA-N 1 0 399.966 4.226 20 0 GIADRO C[C@@H]1C[C@H](c2cccnc2)N(C(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)C1 ZINC000186327083 822876561 /nfs/dbraw/zinc/87/65/61/822876561.db2.gz RDPJIPGRNKOYGG-YSZBQJHXSA-N 1 0 392.547 4.085 20 0 GIADRO C[C@H]([NH2+]C1CCC(O)(c2cccnc2)CC1)c1ccccc1OC(F)(F)F ZINC000186334243 822877698 /nfs/dbraw/zinc/87/76/98/822877698.db2.gz USYYRLYBFWCLFD-ASFAAARLSA-N 1 0 380.410 4.461 20 0 GIADRO COc1cc([C@H](C)[NH2+]C2CCC(O)(c3cccnc3)CC2)ccc1OC(F)F ZINC000186335694 822877730 /nfs/dbraw/zinc/87/77/30/822877730.db2.gz XHIJEQHNRMWYJP-UAXOWTEWSA-N 1 0 392.446 4.173 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)N1CCC(C(F)(F)F)CC1)c1ccsc1 ZINC000175074250 822877922 /nfs/dbraw/zinc/87/79/22/822877922.db2.gz ISEVUMVHQRKFQB-HNNXBMFYSA-N 1 0 377.476 4.115 20 0 GIADRO C[N@H+](Cc1ccc(Br)s1)Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000054358628 822878140 /nfs/dbraw/zinc/87/81/40/822878140.db2.gz DJWPZUJNDQFKNC-UHFFFAOYSA-N 1 0 393.350 4.379 20 0 GIADRO C[N@H+](Cc1ccc2c(c1)COC(C)(C)O2)C1CCN(Cc2ccccc2)CC1 ZINC000186340735 822878323 /nfs/dbraw/zinc/87/83/23/822878323.db2.gz LAECKSOSXPBIAL-UHFFFAOYSA-N 1 0 380.532 4.428 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)NCc1cnc(C2CC2)o1)c1ccccc1Cl ZINC000457475483 822878898 /nfs/dbraw/zinc/87/88/98/822878898.db2.gz HHZDCQMPMDFCMT-GOSISDBHSA-N 1 0 390.915 4.088 20 0 GIADRO OC1(c2cccnc2)CCC([NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)CC1 ZINC000186346426 822879460 /nfs/dbraw/zinc/87/94/60/822879460.db2.gz CLSFYUZOWMRWBD-APKLWFBNSA-N 1 0 377.463 4.125 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)N[C@H](C)Cc3ccccc3F)c(C)c2)CC1 ZINC000054382651 822879836 /nfs/dbraw/zinc/87/98/36/822879836.db2.gz KJSXMBNJLRDVKN-GOSISDBHSA-N 1 0 398.526 4.029 20 0 GIADRO C[C@H]1CC[C@H](CCC(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)O1 ZINC000175087346 822879856 /nfs/dbraw/zinc/87/98/56/822879856.db2.gz BNBKYRXWOZFUKW-QFBILLFUSA-N 1 0 398.469 4.087 20 0 GIADRO Cc1cccc2[nH]c(CCC(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)nc21 ZINC000175094630 822881105 /nfs/dbraw/zinc/88/11/05/822881105.db2.gz SRJUBABQDFPMSF-UHFFFAOYSA-N 1 0 390.531 4.106 20 0 GIADRO CC[C@H](CC(F)F)C(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000457493142 822881501 /nfs/dbraw/zinc/88/15/01/822881501.db2.gz DYDQZTMZUKZVDM-CQSZACIVSA-N 1 0 380.401 4.277 20 0 GIADRO CN(Cc1ccsc1)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000054393789 822881550 /nfs/dbraw/zinc/88/15/50/822881550.db2.gz RFSVTRCDMBJKLU-UHFFFAOYSA-N 1 0 377.941 4.208 20 0 GIADRO COc1cccc([C@H](C[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)N2CCCC2)c1 ZINC000186361226 822882154 /nfs/dbraw/zinc/88/21/54/822882154.db2.gz DBYDRJBLWJGDCP-QFIPXVFZSA-N 1 0 396.531 4.267 20 0 GIADRO O=C(CC[N@@H+]1CCC[C@H]1c1nc2ccccc2s1)Nc1ccc2c(c1)OCO2 ZINC000054425342 822883930 /nfs/dbraw/zinc/88/39/30/822883930.db2.gz IQKWIBHDOPRALW-INIZCTEOSA-N 1 0 395.484 4.191 20 0 GIADRO CCC[N@H+](CC[S@](=O)c1cc(Cl)ccc1Cl)C[C@H]1CCCCO1 ZINC000569150431 822884100 /nfs/dbraw/zinc/88/41/00/822884100.db2.gz SLLGZFSVDJBVMO-CMJOXMDJSA-N 1 0 378.365 4.382 20 0 GIADRO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(Oc3cccnc3)cc2)[C@H]1c1ccccc1 ZINC000569149523 822884120 /nfs/dbraw/zinc/88/41/20/822884120.db2.gz MJYQXZBHXHWWHT-FGZHOGPDSA-N 1 0 388.471 4.441 20 0 GIADRO O=C(CC[N@H+]1CC=C(c2ccc(O)cc2)CC1)N[C@H]1CCCc2ccccc21 ZINC000054429214 822884518 /nfs/dbraw/zinc/88/45/18/822884518.db2.gz AIAGKEQBZZYSMH-QHCPKHFHSA-N 1 0 376.500 4.065 20 0 GIADRO COc1ccccc1[C@H](C[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1)OC(C)C ZINC000186381305 822885161 /nfs/dbraw/zinc/88/51/61/822885161.db2.gz BATNIABSXGJVTI-JTSKRJEESA-N 1 0 380.492 4.093 20 0 GIADRO CCCOc1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)cc1OC ZINC000569155353 822885383 /nfs/dbraw/zinc/88/53/83/822885383.db2.gz CLLICJWXCMPWAM-BHIFYINESA-N 1 0 381.516 4.489 20 0 GIADRO CC[C@H](NC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)c1ccncc1 ZINC000175121000 822886328 /nfs/dbraw/zinc/88/63/28/822886328.db2.gz IBZQLKDRDYPJBA-AVRDEDQJSA-N 1 0 380.536 4.407 20 0 GIADRO CC(C)c1cc(NC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)n(-c2ccccc2)n1 ZINC000569159733 822886300 /nfs/dbraw/zinc/88/63/00/822886300.db2.gz XGHZPUIKXPQODM-LJQANCHMSA-N 1 0 395.551 4.335 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H](C)c1nc2c(s1)CCC2 ZINC000457533210 822886905 /nfs/dbraw/zinc/88/69/05/822886905.db2.gz REDBNVLDFODCDN-HNNXBMFYSA-N 1 0 386.565 4.034 20 0 GIADRO Cc1c(C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)oc2c1c(C)ccc2C ZINC000175123559 822887085 /nfs/dbraw/zinc/88/70/85/822887085.db2.gz HGJMDXJGJHHAKT-UHFFFAOYSA-N 1 0 384.520 4.075 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)N1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000457534832 822887239 /nfs/dbraw/zinc/88/72/39/822887239.db2.gz UMSJYIUIFXCEHR-NHCUHLMSSA-N 1 0 387.955 4.134 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)N[C@@H](C)c2nc3c(s2)CCC3)cc1 ZINC000457539457 822887875 /nfs/dbraw/zinc/88/78/75/822887875.db2.gz XYTDSNRDYPITLM-HNNXBMFYSA-N 1 0 386.565 4.034 20 0 GIADRO COCCCOc1ccccc1NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000054471908 822888184 /nfs/dbraw/zinc/88/81/84/822888184.db2.gz FXRBMMXQFPWIBN-NRFANRHFSA-N 1 0 397.519 4.061 20 0 GIADRO COc1cccc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)c1OC(F)F ZINC000569172316 822888318 /nfs/dbraw/zinc/88/83/18/822888318.db2.gz SZSHOEZAGNRYKF-CEXWTWQISA-N 1 0 389.442 4.301 20 0 GIADRO CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3ccc4c(c3)COC(C)(C)O4)ccc2NC1=O ZINC000186407949 822889661 /nfs/dbraw/zinc/88/96/61/822889661.db2.gz PNMCDMBSFOMZCF-AUUYWEPGSA-N 1 0 396.487 4.292 20 0 GIADRO C[C@H](CC(F)(F)F)C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000457552277 822889809 /nfs/dbraw/zinc/88/98/09/822889809.db2.gz LJZDIALQQAGFMK-QGZVFWFLSA-N 1 0 384.486 4.426 20 0 GIADRO Cc1nsc(C)c1-c1noc([C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)n1 ZINC000569185313 822890070 /nfs/dbraw/zinc/89/00/70/822890070.db2.gz YAKLAGLPHRQCEY-DYESRHJHSA-N 1 0 380.517 4.364 20 0 GIADRO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH2+]C1(Cc2ccccc2)CCOCC1 ZINC000569189894 822890563 /nfs/dbraw/zinc/89/05/63/822890563.db2.gz TZVGAGYLETVBTH-QGZVFWFLSA-N 1 0 386.923 4.357 20 0 GIADRO CCC[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@@H]2c2cccc(Br)c2)C1 ZINC000054510931 822891505 /nfs/dbraw/zinc/89/15/05/822891505.db2.gz AUTKDWFYBCJLIV-CRAIPNDOSA-N 1 0 394.357 4.028 20 0 GIADRO CCC[N@@H+]1CC[C@H](CNC(=O)N2CCC(c3c(C)[nH]c4ccccc43)CC2)C1 ZINC000054510883 822891600 /nfs/dbraw/zinc/89/16/00/822891600.db2.gz ZDWUUEBHYJQXEH-GOSISDBHSA-N 1 0 382.552 4.097 20 0 GIADRO CCOc1cc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc(Cl)c1O ZINC000186423207 822892098 /nfs/dbraw/zinc/89/20/98/822892098.db2.gz XGZWYDDYOILZMN-GOSISDBHSA-N 1 0 388.895 4.011 20 0 GIADRO O=C(Nc1cccc(C[S@](=O)c2ccccc2)c1)C1C[NH+](C2CCCCC2)C1 ZINC000457569922 822892545 /nfs/dbraw/zinc/89/25/45/822892545.db2.gz POMXCJJSLOCQIK-NDEPHWFRSA-N 1 0 396.556 4.197 20 0 GIADRO CCOC(=O)N1CCC([C@@H](C)[NH2+]Cc2csc(-c3ccccc3F)n2)CC1 ZINC000186425314 822892586 /nfs/dbraw/zinc/89/25/86/822892586.db2.gz VCVYQBAPENNJNS-CQSZACIVSA-N 1 0 391.512 4.296 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)c2cc(Br)co2)CC[N@@H+]1Cc1ccccc1 ZINC000457572496 822893132 /nfs/dbraw/zinc/89/31/32/822893132.db2.gz IVLNDXRCQMXFNR-WMLDXEAASA-N 1 0 391.309 4.167 20 0 GIADRO Cc1sc([C@@H](C)NC(=O)N(C)CCC[NH+](C)C)nc1-c1ccc(Cl)cc1 ZINC000186429937 822893677 /nfs/dbraw/zinc/89/36/77/822893677.db2.gz SPUXHSJSQKBTGC-CYBMUJFWSA-N 1 0 394.972 4.426 20 0 GIADRO Cc1nc(COc2ccc(C[NH2+]C[C@@H](c3ccccc3)C(F)(F)F)cc2)no1 ZINC000186436033 822894985 /nfs/dbraw/zinc/89/49/85/822894985.db2.gz NOGHOJPTBKQARK-SFHVURJKSA-N 1 0 391.393 4.393 20 0 GIADRO CO[C@H](C)c1nc(C)c(C(=O)OC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)s1 ZINC000175161112 822895056 /nfs/dbraw/zinc/89/50/56/822895056.db2.gz IQNRSIYLSUUUGO-SJLPKXTDSA-N 1 0 388.533 4.228 20 0 GIADRO CC(C)(Cc1ccccc1)C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000569252691 822896956 /nfs/dbraw/zinc/89/69/56/822896956.db2.gz LIFQNPJMAKJAFQ-RUZDIDTESA-N 1 0 376.544 4.380 20 0 GIADRO CCCOc1ccc(Cl)cc1NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000569256881 822897602 /nfs/dbraw/zinc/89/76/02/822897602.db2.gz NSWYLFAHZWQIDQ-INIZCTEOSA-N 1 0 382.957 4.285 20 0 GIADRO CC1(C)C(=O)N[C@@H]1C1CC[NH+](Cc2c(OC(F)F)ccc3ccccc32)CC1 ZINC000569258864 822897691 /nfs/dbraw/zinc/89/76/91/822897691.db2.gz LZWACDOLHYQPAY-LJQANCHMSA-N 1 0 388.458 4.178 20 0 GIADRO O=C(CCSc1cccc(Cl)c1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000569263998 822898108 /nfs/dbraw/zinc/89/81/08/822898108.db2.gz TWEOCXPSVJCEEC-QGZVFWFLSA-N 1 0 378.925 4.369 20 0 GIADRO CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000175178328 822898253 /nfs/dbraw/zinc/89/82/53/822898253.db2.gz STKYXMBHODURGS-HSZRJFAPSA-N 1 0 394.563 4.017 20 0 GIADRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2sc(C)cc2OCc2ccccc2)C1 ZINC000457636344 822899410 /nfs/dbraw/zinc/89/94/10/822899410.db2.gz ZONXKJJSQRWHIS-LJQANCHMSA-N 1 0 386.561 4.439 20 0 GIADRO Cc1cccc(CN(C)C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)n1 ZINC000457641140 822900137 /nfs/dbraw/zinc/90/01/37/822900137.db2.gz CQOFTUWHOQOHRS-IBGZPJMESA-N 1 0 380.536 4.106 20 0 GIADRO CCO[C@H]1C[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)C1(C)C ZINC000186472233 822900636 /nfs/dbraw/zinc/90/06/36/822900636.db2.gz GOGNKLFYRFSMKQ-MSOLQXFVSA-N 1 0 398.469 4.103 20 0 GIADRO CCO[C@@H]1C[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)C1(C)C ZINC000186472218 822900804 /nfs/dbraw/zinc/90/08/04/822900804.db2.gz GOGNKLFYRFSMKQ-QZTJIDSGSA-N 1 0 398.469 4.103 20 0 GIADRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)[C@H]1C[C@@]1(C)C(C)C ZINC000186478162 822901774 /nfs/dbraw/zinc/90/17/74/822901774.db2.gz ILPIEOLTDSBHBC-VIZSFHNOSA-N 1 0 380.536 4.259 20 0 GIADRO Cc1ccccc1Oc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nc1 ZINC000457654130 822901974 /nfs/dbraw/zinc/90/19/74/822901974.db2.gz BQCUDBOPWOWPCF-XMSQKQJNSA-N 1 0 391.515 4.271 20 0 GIADRO CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)o1 ZINC000175197470 822902027 /nfs/dbraw/zinc/90/20/27/822902027.db2.gz DXSRCXUHSZRAJU-UHFFFAOYSA-N 1 0 399.491 4.152 20 0 GIADRO Cc1ccc(-c2nc(-c3nc([C@@H]4C[N@@H+]5CCC[C@@]5(C)CO4)no3)cs2)c(C)c1 ZINC000569290568 822902265 /nfs/dbraw/zinc/90/22/65/822902265.db2.gz ZKPRBSPAZSRRLY-UWJYYQICSA-N 1 0 396.516 4.403 20 0 GIADRO COc1ccc(C[N@@H+]2CCSC3(CCOCC3)C2)cc1OCCC(C)C ZINC000186481719 822902322 /nfs/dbraw/zinc/90/23/22/822902322.db2.gz JATVTUKNKRHGBY-UHFFFAOYSA-N 1 0 379.566 4.218 20 0 GIADRO CCCCCOc1cc(C[N@@H+]2CCSC3(CCOCC3)C2)ccc1OC ZINC000186481692 822902447 /nfs/dbraw/zinc/90/24/47/822902447.db2.gz BKDSMDIEQZGRIA-UHFFFAOYSA-N 1 0 379.566 4.362 20 0 GIADRO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000175198719 822902534 /nfs/dbraw/zinc/90/25/34/822902534.db2.gz ROFZKGZFGGGJDD-UHFFFAOYSA-N 1 0 388.471 4.462 20 0 GIADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccccc2COCc2ccccc2)C1 ZINC000457659565 822902575 /nfs/dbraw/zinc/90/25/75/822902575.db2.gz FNOVQBFAAOFJIM-QHCPKHFHSA-N 1 0 395.547 4.028 20 0 GIADRO CCc1ccccc1CNC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000569295330 822903131 /nfs/dbraw/zinc/90/31/31/822903131.db2.gz FIWNDGBNGCJCRV-UHFFFAOYSA-N 1 0 383.561 4.162 20 0 GIADRO Cc1cc(OCc2ccccc2)c(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)s1 ZINC000457670228 822904264 /nfs/dbraw/zinc/90/42/64/822904264.db2.gz XDIYQACRDROZKG-MOPGFXCFSA-N 1 0 384.545 4.192 20 0 GIADRO CC(C)NC(=O)Nc1ccc(NC(=O)c2oc3ccccc3c2C[NH+](C)C)cc1 ZINC000175209947 822904869 /nfs/dbraw/zinc/90/48/69/822904869.db2.gz VGGMYVZYNYLFRW-UHFFFAOYSA-N 1 0 394.475 4.277 20 0 GIADRO Cn1cc(C[NH2+]CC2(c3ccc(C(F)(F)F)cc3)CC2)c(-c2cccnc2)n1 ZINC000186510295 822906743 /nfs/dbraw/zinc/90/67/43/822906743.db2.gz SSFCZAPANZCRRK-UHFFFAOYSA-N 1 0 386.421 4.322 20 0 GIADRO Cc1cc(C(=O)OC(C)(C)C)cc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000457688329 822906873 /nfs/dbraw/zinc/90/68/73/822906873.db2.gz VBGKPTSTNGIKKF-UWJYYQICSA-N 1 0 398.547 4.039 20 0 GIADRO CC(C)c1nccn1Cc1cccc(NC(=O)NC[C@@]2(C)CCCC[C@H]2O)c1 ZINC000175218322 822907128 /nfs/dbraw/zinc/90/71/28/822907128.db2.gz ULZOXJAWLCKMEJ-DENIHFKCSA-N 1 0 384.524 4.118 20 0 GIADRO CC(C)c1nccn1Cc1cccc(NC(=O)NC[C@@]2(C)CCCC[C@@H]2O)c1 ZINC000175218287 822907219 /nfs/dbraw/zinc/90/72/19/822907219.db2.gz ULZOXJAWLCKMEJ-SIKLNZKXSA-N 1 0 384.524 4.118 20 0 GIADRO C[C@@H]1CN(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)[C@H]1c1ccccc1 ZINC000175224576 822908484 /nfs/dbraw/zinc/90/84/84/822908484.db2.gz BUNSRUOUIJLNEK-VGOFRKELSA-N 1 0 381.495 4.193 20 0 GIADRO COc1ccccc1-c1ccc([C@H](C)NC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000569333944 822908924 /nfs/dbraw/zinc/90/89/24/822908924.db2.gz IOFKJXCYBPSZSR-VHHKXPHXSA-N 1 0 393.531 4.192 20 0 GIADRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(-c2nc3cc(F)ccc3n2C)cc1C ZINC000569338123 822909204 /nfs/dbraw/zinc/90/92/04/822909204.db2.gz AUYARECWPHAMMY-DLBZAZTESA-N 1 0 380.467 4.014 20 0 GIADRO Cc1csc([C@H](C)C[NH2+][C@H](C)CC(=O)N(C)Cc2ccccc2Cl)n1 ZINC000186562090 822913573 /nfs/dbraw/zinc/91/35/73/822913573.db2.gz VWTHPJHHQGTJHX-ZIAGYGMSSA-N 1 0 379.957 4.235 20 0 GIADRO Cn1c2ccccc2nc1C(C)(C)[NH2+]CCCc1nc(-c2ccccc2)no1 ZINC000186563823 822913784 /nfs/dbraw/zinc/91/37/84/822913784.db2.gz XQXQFUPOTVWWDJ-UHFFFAOYSA-N 1 0 375.476 4.081 20 0 GIADRO CN(C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)c1cc(F)ccc1F ZINC000569382712 822913904 /nfs/dbraw/zinc/91/39/04/822913904.db2.gz BSMXTTGLZDIBOR-MRXNPFEDSA-N 1 0 380.385 4.085 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000457750148 822914202 /nfs/dbraw/zinc/91/42/02/822914202.db2.gz VJIHOVRJCBYFLU-WIYYLYMNSA-N 1 0 397.567 4.454 20 0 GIADRO Cc1ccc(C(=O)C2CCN(C(=O)NCC(C)(C)[N@@H+]3CCC[C@H](C)C3)CC2)cc1 ZINC000054804836 822914247 /nfs/dbraw/zinc/91/42/47/822914247.db2.gz XQWYCKMCVUYDSW-IBGZPJMESA-N 1 0 399.579 4.110 20 0 GIADRO Cc1csc([C@H](C)C[NH2+][C@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)n1 ZINC000186567545 822914607 /nfs/dbraw/zinc/91/46/07/822914607.db2.gz RHCRYLZSAHBXGS-ZIAGYGMSSA-N 1 0 379.957 4.235 20 0 GIADRO CCOc1ccc(C[N@H+](C)Cc2cccc(C(=O)N3CCCCC3)c2)cc1OC ZINC000054807786 822914634 /nfs/dbraw/zinc/91/46/34/822914634.db2.gz RNRRIYGIVRCBAA-UHFFFAOYSA-N 1 0 396.531 4.352 20 0 GIADRO O=C(c1cccc(C[N@H+]2CC=C(c3ccc(O)cc3)CC2)c1)N1CCCCC1 ZINC000054808438 822914710 /nfs/dbraw/zinc/91/47/10/822914710.db2.gz YPKFJPSPXMDRBO-UHFFFAOYSA-N 1 0 376.500 4.308 20 0 GIADRO CC1CC[NH+](CCCCNC(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)CC1 ZINC000457753471 822914828 /nfs/dbraw/zinc/91/48/28/822914828.db2.gz VKCGPBDZEZDAHL-OAQYLSRUSA-N 1 0 397.567 4.312 20 0 GIADRO CN(C(=O)NCc1csc2ccccc12)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457760124 822915853 /nfs/dbraw/zinc/91/58/53/822915853.db2.gz RXBYFKJWCVDRFS-UHFFFAOYSA-N 1 0 399.482 4.460 20 0 GIADRO FC(F)(F)C1CCC(C[NH2+]C[C@@H](c2cccs2)N2CCOCC2)CC1 ZINC000186577620 822916380 /nfs/dbraw/zinc/91/63/80/822916380.db2.gz WFXXHACVCPMHLY-GPANFISMSA-N 1 0 376.488 4.080 20 0 GIADRO C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)C1 ZINC000186579447 822916687 /nfs/dbraw/zinc/91/66/87/822916687.db2.gz IHOMMVOUQVCKSJ-QBKZBJQZSA-N 1 0 384.568 4.217 20 0 GIADRO CSC1(CNC(=O)c2sc3cc(C)c(C)cc3c2C)CC[NH+](C)CC1 ZINC000569398888 822916793 /nfs/dbraw/zinc/91/67/93/822916793.db2.gz SVBSTGYQMMWNGW-UHFFFAOYSA-N 1 0 376.591 4.384 20 0 GIADRO C[C@H](C(=O)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1)c1cc2ccccc2o1 ZINC000186583148 822917297 /nfs/dbraw/zinc/91/72/97/822917297.db2.gz MTWMHWJKXXUHLJ-PXNSSMCTSA-N 1 0 377.488 4.102 20 0 GIADRO CC[NH+](CC)CCNC(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C ZINC000054847032 822918050 /nfs/dbraw/zinc/91/80/50/822918050.db2.gz BIHNUOQZGGAHHH-UHFFFAOYSA-N 1 0 393.940 4.034 20 0 GIADRO C[NH+](C)CCN(Cc1ccccc1F)Cc1ccccc1OCc1ccccn1 ZINC000569410598 822918663 /nfs/dbraw/zinc/91/86/63/822918663.db2.gz BNVTUQWDCHSJJC-UHFFFAOYSA-N 1 0 393.506 4.364 20 0 GIADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N[C@@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC000457785945 822919345 /nfs/dbraw/zinc/91/93/45/822919345.db2.gz MBFFKXFBJKGSRG-MTFMMBMASA-N 1 0 375.944 4.292 20 0 GIADRO Cc1cc(NC(=O)N[C@@H](C)C[NH+]2CCCCCC2)ccc1NC(=O)c1ccco1 ZINC000186592409 822919562 /nfs/dbraw/zinc/91/95/62/822919562.db2.gz LGRFBHDHCRTTRO-KRWDZBQOSA-N 1 0 398.507 4.226 20 0 GIADRO CC[NH+](CC)CCOc1ccc(NCc2cncc(Br)c2)cc1 ZINC000186597950 822920834 /nfs/dbraw/zinc/92/08/34/822920834.db2.gz XGBQJXPBFLCSHT-UHFFFAOYSA-N 1 0 378.314 4.177 20 0 GIADRO NC(=O)C1CC[NH+](Cc2cccc(NCC3CCC(C(F)(F)F)CC3)c2)CC1 ZINC000186599676 822921255 /nfs/dbraw/zinc/92/12/55/822921255.db2.gz ILKKQNLGGSMKIP-UHFFFAOYSA-N 1 0 397.485 4.165 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(Cl)c(Cl)n1C ZINC000175274624 822921680 /nfs/dbraw/zinc/92/16/80/822921680.db2.gz CCFYJTPARLBDDK-INIZCTEOSA-N 1 0 394.346 4.316 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCC(=O)c1ccc(F)cc1 ZINC000175279226 822922746 /nfs/dbraw/zinc/92/27/46/822922746.db2.gz OJZXPBZIOQIEJX-FQEVSTJZSA-N 1 0 396.506 4.159 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cc1csc(C(C)(C)C)n1 ZINC000175280926 822923407 /nfs/dbraw/zinc/92/34/07/822923407.db2.gz HFEFUSKRLJKLFF-IBGZPJMESA-N 1 0 399.604 4.354 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(-c2ccccc2)no1 ZINC000175281182 822923430 /nfs/dbraw/zinc/92/34/30/822923430.db2.gz FFJKFJPSRDIRNZ-FQEVSTJZSA-N 1 0 389.499 4.326 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1coc(Br)c1 ZINC000175282277 822923556 /nfs/dbraw/zinc/92/35/56/822923556.db2.gz MQCZMSVWXCWQMS-MRXNPFEDSA-N 1 0 391.309 4.026 20 0 GIADRO C[C@H]([NH2+]Cc1cc(Cl)cc2c1OCC2)c1ccc(OCc2nccn2C)cc1 ZINC000186615993 822924108 /nfs/dbraw/zinc/92/41/08/822924108.db2.gz QKQUXNASBPRSMQ-HNNXBMFYSA-N 1 0 397.906 4.438 20 0 GIADRO O=C(CC[N@@H+]1CC[C@@]2(C1)OCc1ccccc12)Nc1cc(Cl)ccc1Cl ZINC000186617340 822924422 /nfs/dbraw/zinc/92/44/22/822924422.db2.gz HEAYVRCXMHYMMA-FQEVSTJZSA-N 1 0 391.298 4.453 20 0 GIADRO CCOc1ccc(C(=O)N(CC)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000175286113 822924567 /nfs/dbraw/zinc/92/45/67/822924567.db2.gz HWEKYIBGWJJDOK-FQEVSTJZSA-N 1 0 396.531 4.078 20 0 GIADRO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]Cc1ccc(C(C)(C)O)cc1 ZINC000186620135 822924985 /nfs/dbraw/zinc/92/49/85/822924985.db2.gz XDXXHVFRYLAQLQ-INIZCTEOSA-N 1 0 388.939 4.094 20 0 GIADRO COc1cc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)ccc1OCC(F)(F)F ZINC000569463382 822926250 /nfs/dbraw/zinc/92/62/50/822926250.db2.gz HSLIPIXXMNXNOW-AEFFLSMTSA-N 1 0 385.426 4.170 20 0 GIADRO CC(C)Oc1ccccc1CNC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000175295465 822927444 /nfs/dbraw/zinc/92/74/44/822927444.db2.gz NXWNLTQSVGIUNV-NRFANRHFSA-N 1 0 395.547 4.137 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cc(Cl)cc2cccnc21 ZINC000054983331 822928296 /nfs/dbraw/zinc/92/82/96/822928296.db2.gz PDDVIFUAFQJWGE-UHFFFAOYSA-N 1 0 394.906 4.201 20 0 GIADRO CCn1ccnc1CN(Cc1cc2cc(C)c(C)cc2o1)[C@H]1CC12CC[NH2+]CC2 ZINC000569485128 822928557 /nfs/dbraw/zinc/92/85/57/822928557.db2.gz HHPXJICLICSHKQ-QFIPXVFZSA-N 1 0 392.547 4.410 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)Nc2ccc3oc(C(F)(F)F)nc3c2)CC1 ZINC000175302030 822929603 /nfs/dbraw/zinc/92/96/03/822929603.db2.gz SBDISPPVVOPDHV-UHFFFAOYSA-N 1 0 384.402 4.185 20 0 GIADRO COC(=O)C[C@](C)([NH2+]Cc1cccc(C(F)(F)F)c1)c1cccc(OC)c1 ZINC000569499614 822930197 /nfs/dbraw/zinc/93/01/97/822930197.db2.gz KTCPZYLTKQIZOT-IBGZPJMESA-N 1 0 381.394 4.282 20 0 GIADRO O=C(c1ccc2c(c1)Cc1ccccc1-2)C(C(=S)NC1CC1)[n+]1ccccc1 ZINC000055011284 822930784 /nfs/dbraw/zinc/93/07/84/822930784.db2.gz XXFIMGORICXMDY-UHFFFAOYSA-O 1 0 385.512 4.236 20 0 GIADRO C=CCNC(=S)C(C(=O)c1ccc(CC(C)C)cc1)[n+]1ccccc1CC ZINC000055011220 822930809 /nfs/dbraw/zinc/93/08/09/822930809.db2.gz WONIVHNUQGXEPL-UHFFFAOYSA-O 1 0 381.565 4.449 20 0 GIADRO Cc1ccc([C@@H](C[NH2+]Cc2cc(-c3ccccc3)cs2)N2CCOCC2)o1 ZINC000569510785 822931945 /nfs/dbraw/zinc/93/19/45/822931945.db2.gz DVRQUGICMVBUMH-OAQYLSRUSA-N 1 0 382.529 4.480 20 0 GIADRO C[C@@H]1CCN(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)[C@H]1C ZINC000175323372 822935184 /nfs/dbraw/zinc/93/51/84/822935184.db2.gz SQJZSVXDPVTBDK-MSOLQXFVSA-N 1 0 386.540 4.153 20 0 GIADRO Cn1cc(-c2ncc(C[NH2+][C@@H]3CCC[C@H](c4cccc(Cl)c4)C3)cn2)cn1 ZINC000569543908 822937840 /nfs/dbraw/zinc/93/78/40/822937840.db2.gz KPNPFNFDGLSRHO-FXAWDEMLSA-N 1 0 381.911 4.347 20 0 GIADRO COc1cccc(OCC(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)c1 ZINC000055101396 822938223 /nfs/dbraw/zinc/93/82/23/822938223.db2.gz AKYPLHUXAMTDBM-UHFFFAOYSA-N 1 0 382.504 4.477 20 0 GIADRO Cc1cc(N2CCCC2)ccc1NC(=O)C[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000055103076 822938680 /nfs/dbraw/zinc/93/86/80/822938680.db2.gz DYOAXUDORDESTP-UHFFFAOYSA-N 1 0 393.531 4.119 20 0 GIADRO CC(=O)Nc1cc(NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)ccc1C ZINC000175337147 822939105 /nfs/dbraw/zinc/93/91/05/822939105.db2.gz WWEDNQRRGKQQNV-UHFFFAOYSA-N 1 0 394.519 4.082 20 0 GIADRO CC1CC[NH+](Cc2ccccc2CNC(=O)NC[C@H]2CCOC3(CCC3)C2)CC1 ZINC000569559929 822939938 /nfs/dbraw/zinc/93/99/38/822939938.db2.gz HEVDJHSWAYEFSC-FQEVSTJZSA-N 1 0 399.579 4.067 20 0 GIADRO CCOc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1ccc(OC)c(NC(C)=O)c1)CCO2 ZINC000186700623 822940428 /nfs/dbraw/zinc/94/04/28/822940428.db2.gz HNIJNFSCLYBCLB-KUHUBIRLSA-N 1 0 384.476 4.227 20 0 GIADRO CC1(C)OCc2cc(C[NH+]3CCC([C@H](O)c4ccc(F)cc4)CC3)ccc2O1 ZINC000186702830 822940847 /nfs/dbraw/zinc/94/08/47/822940847.db2.gz GFSVZKKQZDZURT-JOCHJYFZSA-N 1 0 385.479 4.416 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000457941092 822941265 /nfs/dbraw/zinc/94/12/65/822941265.db2.gz REHPQWMZSQRVNV-VGOFRKELSA-N 1 0 398.576 4.307 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000457941094 822941302 /nfs/dbraw/zinc/94/13/02/822941302.db2.gz REHPQWMZSQRVNV-VGSWGCGISA-N 1 0 398.576 4.307 20 0 GIADRO CCc1c(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cnn1-c1ccccc1C ZINC000186711679 822942523 /nfs/dbraw/zinc/94/25/23/822942523.db2.gz CRTZOPVQJCSWHE-MOPGFXCFSA-N 1 0 394.563 4.126 20 0 GIADRO Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000055177806 822943495 /nfs/dbraw/zinc/94/34/95/822943495.db2.gz DZNSTPYEZVDCTQ-HNNXBMFYSA-N 1 0 379.570 4.035 20 0 GIADRO CCc1nc(CC(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)cs1 ZINC000055190348 822944290 /nfs/dbraw/zinc/94/42/90/822944290.db2.gz BPOCKAJTXXNYPK-UHFFFAOYSA-N 1 0 393.556 4.293 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)CCc1ncc(-c2ccccc2Cl)o1 ZINC000055193832 822944805 /nfs/dbraw/zinc/94/48/05/822944805.db2.gz QWVUAZAXWMQAMG-INIZCTEOSA-N 1 0 389.927 4.308 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000055193624 822944835 /nfs/dbraw/zinc/94/48/35/822944835.db2.gz IZPCLJJRYPEVRU-MRXNPFEDSA-N 1 0 389.927 4.308 20 0 GIADRO COc1ccc(C[N@H+](C)Cc2ccccc2N(C)C)cc1OCc1cccnc1 ZINC000569616631 822945252 /nfs/dbraw/zinc/94/52/52/822945252.db2.gz AUCWHKHDCOVXGH-UHFFFAOYSA-N 1 0 391.515 4.367 20 0 GIADRO Cc1nc(-c2c[nH]c(C(=O)N3CCC[N@H+](Cc4ccc(C)cc4)CC3)c2)cs1 ZINC000055208171 822945768 /nfs/dbraw/zinc/94/57/68/822945768.db2.gz CEZORVIKWQYVGN-UHFFFAOYSA-N 1 0 394.544 4.103 20 0 GIADRO COc1cc(C)c(NC(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1F ZINC000186738654 822947742 /nfs/dbraw/zinc/94/77/42/822947742.db2.gz HZWWLLIPDIOWJC-KUHUBIRLSA-N 1 0 391.512 4.409 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@@H](CO)c1ccc(Cl)cc1 ZINC000569636298 822948325 /nfs/dbraw/zinc/94/83/25/822948325.db2.gz GRDOHKBJBCBURC-PXAZEXFGSA-N 1 0 397.302 4.042 20 0 GIADRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)[C@H]1C[C@]12CCCc1ccccc12 ZINC000175369058 822948760 /nfs/dbraw/zinc/94/87/60/822948760.db2.gz DTHRSESMLMOFAX-RSXGOPAZSA-N 1 0 388.555 4.104 20 0 GIADRO CCOCc1ccccc1CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000175370172 822949242 /nfs/dbraw/zinc/94/92/42/822949242.db2.gz RBRXUMSZNGJYSS-AUSIDOKSSA-N 1 0 395.547 4.075 20 0 GIADRO O=C(NC1CCCCC1)NC1CC[NH+](C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000569650178 822950302 /nfs/dbraw/zinc/95/03/02/822950302.db2.gz UGZDBKQXRLBOQZ-PLNGDYQASA-N 1 0 377.479 4.074 20 0 GIADRO NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+]C1CCC(c3ccccc3)CC1)CCC2 ZINC000569652607 822950543 /nfs/dbraw/zinc/95/05/43/822950543.db2.gz BDLSMFUUNVSXRK-RKOYOZNISA-N 1 0 384.545 4.027 20 0 GIADRO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CCC(=O)Nc1ccccc1Cl ZINC000175378561 822951794 /nfs/dbraw/zinc/95/17/94/822951794.db2.gz NJDOXKMFPNYCDV-PWECECGKSA-N 1 0 378.925 4.099 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)NCCOc1ccccc1-c1ccccc1 ZINC000458027855 822951779 /nfs/dbraw/zinc/95/17/79/822951779.db2.gz ZXTJCSQLSAMQPZ-UHFFFAOYSA-N 1 0 383.536 4.152 20 0 GIADRO C[NH+]1CCN(c2ccc(NC(=O)C[C@@H]3C=CCCC3)c(C(F)(F)F)c2)CC1 ZINC000186773902 822953335 /nfs/dbraw/zinc/95/33/35/822953335.db2.gz CEOGYFXVMKOXHR-OAHLLOKOSA-N 1 0 381.442 4.142 20 0 GIADRO O=C(Nc1ccc(-c2ccc(Cl)s2)nc1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000569674616 822953799 /nfs/dbraw/zinc/95/37/99/822953799.db2.gz DBDBXFLHOMZNDV-UHFFFAOYSA-N 1 0 390.940 4.461 20 0 GIADRO COc1cc(C[N@H+](C)[C@@H](C)c2ccc([S@@](C)=O)cc2)ccc1OC(F)F ZINC000175388426 822955414 /nfs/dbraw/zinc/95/54/14/822955414.db2.gz WXTBALIYOSCEQX-WHDAMIPWSA-N 1 0 383.460 4.227 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccccc2CN2CCc3ccccc32)CC[N@@H+]1C ZINC000175389256 822955765 /nfs/dbraw/zinc/95/57/65/822955765.db2.gz BTFHBYHVUCATGF-RXVVDRJESA-N 1 0 392.547 4.196 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCO2)C(=O)Nc1ccc(Cl)cc1Cl ZINC000055374906 822955790 /nfs/dbraw/zinc/95/57/90/822955790.db2.gz SNHBZOUGGJNWJN-WDEREUQCSA-N 1 0 381.259 4.400 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc2c(c1)OCO2)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000055375104 822955905 /nfs/dbraw/zinc/95/59/05/822955905.db2.gz MMLMABKBMBHKIW-IAGOWNOFSA-N 1 0 395.503 4.083 20 0 GIADRO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000175392298 822956828 /nfs/dbraw/zinc/95/68/28/822956828.db2.gz MYCGRRJFXGXWBU-OQRWROFFSA-N 1 0 394.581 4.064 20 0 GIADRO CC(C)c1c(NC(=O)NCC[C@@H]2CCC[NH2+]C2)cnn1-c1ccc(Cl)cc1 ZINC000569703699 822956990 /nfs/dbraw/zinc/95/69/90/822956990.db2.gz XDGFFKDZUJXILQ-HNNXBMFYSA-N 1 0 389.931 4.160 20 0 GIADRO C[NH2+]Cc1cccc(NC(=O)CSc2nc(C)nc3sc(C)c(C)c32)c1 ZINC000569712130 822958146 /nfs/dbraw/zinc/95/81/46/822958146.db2.gz MBJOQOJTZZZZLP-UHFFFAOYSA-N 1 0 386.546 4.067 20 0 GIADRO Cc1ccc(C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1NC(=O)c1ccccc1 ZINC000055407074 822958323 /nfs/dbraw/zinc/95/83/23/822958323.db2.gz IRINSOWFTLAXDK-PKOBYXMFSA-N 1 0 393.531 4.098 20 0 GIADRO [NH3+]C[C@H](C(=O)N(Cc1ccccc1C(F)(F)F)C1CC1)c1ccc(F)cc1 ZINC000569728559 822959742 /nfs/dbraw/zinc/95/97/42/822959742.db2.gz RPIQSVRDQBHSJL-KRWDZBQOSA-N 1 0 380.385 4.078 20 0 GIADRO COc1cccc(Oc2ccc(NC(=O)N(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)cc2)c1 ZINC000175407536 822961267 /nfs/dbraw/zinc/96/12/67/822961267.db2.gz CXDCVVPCANPJMK-SJLPKXTDSA-N 1 0 383.492 4.434 20 0 GIADRO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CCCc1nc(-c2ccccc2)no1 ZINC000175413054 822962718 /nfs/dbraw/zinc/96/27/18/822962718.db2.gz QWNMMAYKJSKJPE-OQRWROFFSA-N 1 0 383.517 4.100 20 0 GIADRO COc1c(F)cc(NC(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)cc1F ZINC000175412467 822962725 /nfs/dbraw/zinc/96/27/25/822962725.db2.gz HLHCHHUNUZVPLG-OAHLLOKOSA-N 1 0 389.446 4.102 20 0 GIADRO CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000186832383 822963656 /nfs/dbraw/zinc/96/36/56/822963656.db2.gz WNEWVPSQJAVEMU-JOCHJYFZSA-N 1 0 397.563 4.112 20 0 GIADRO CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCSC2(CCOCC2)C1 ZINC000186839997 822965402 /nfs/dbraw/zinc/96/54/02/822965402.db2.gz OIONNEGOKIYTNQ-IAGOWNOFSA-N 1 0 376.566 4.125 20 0 GIADRO C[C@@]12CCC[N@@H+]1C[C@H](c1noc(-c3cccc(OC4CCCCC4)c3)n1)OC2 ZINC000569766695 822965771 /nfs/dbraw/zinc/96/57/71/822965771.db2.gz JPETYPRKJWLHMK-KNQAVFIVSA-N 1 0 383.492 4.374 20 0 GIADRO O=C(NC1CCC(C(F)F)CC1)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000458184637 822966139 /nfs/dbraw/zinc/96/61/39/822966139.db2.gz TVYDSNXKFLCFLM-OFLPRAFFSA-N 1 0 386.433 4.084 20 0 GIADRO COc1cccc(C[NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)c1OC(C)C ZINC000055472624 822967835 /nfs/dbraw/zinc/96/78/35/822967835.db2.gz PEAUUIPTGQGGNN-UHFFFAOYSA-N 1 0 382.504 4.008 20 0 GIADRO C[N@@H+]1CCC[C@H](CCNC(=O)C(C)(C)c2csc(-c3ccccc3F)n2)C1 ZINC000458203013 822968315 /nfs/dbraw/zinc/96/83/15/822968315.db2.gz JAWFXFKCSZOGGM-OAHLLOKOSA-N 1 0 389.540 4.075 20 0 GIADRO Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccc(OCC[NH+](C)C)c(C)c1 ZINC000458205063 822968502 /nfs/dbraw/zinc/96/85/02/822968502.db2.gz XRGPFFNBJABBGR-UHFFFAOYSA-N 1 0 396.516 4.015 20 0 GIADRO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1)C1(CCF)CC1 ZINC000458206897 822968789 /nfs/dbraw/zinc/96/87/89/822968789.db2.gz VGBQJBOGGQGALU-LEWJYISDSA-N 1 0 384.470 4.050 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)C[N@@H+](C)[C@H](C)[C@H](C)c2ccc(Cl)cc2)c1 ZINC000175437149 822969013 /nfs/dbraw/zinc/96/90/13/822969013.db2.gz QFUUZAYAHQWAEM-LSDHHAIUSA-N 1 0 387.911 4.361 20 0 GIADRO Fc1ccc(C2(C[NH2+]C3CCN(Cc4ccccn4)CC3)CCCC2)c(F)c1 ZINC000186859312 822969424 /nfs/dbraw/zinc/96/94/24/822969424.db2.gz CDOFRBJCNSSORD-UHFFFAOYSA-N 1 0 385.502 4.426 20 0 GIADRO COc1cc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc(OC)c1Cl ZINC000458211226 822969456 /nfs/dbraw/zinc/96/94/56/822969456.db2.gz AHYHBCDBISYTRF-UHFFFAOYSA-N 1 0 388.895 4.208 20 0 GIADRO Cc1cc(NC(=O)c2cccc([C@H]3CCCOC3)c2)ccc1OCC[NH+](C)C ZINC000458214474 822969674 /nfs/dbraw/zinc/96/96/74/822969674.db2.gz OYBUIMOPINARCE-FQEVSTJZSA-N 1 0 382.504 4.082 20 0 GIADRO CC[C@@H](C)n1ncc(C(=O)Nc2ccc(OCC[NH+](C)C)c(C)c2)c1C1CC1 ZINC000458214429 822969700 /nfs/dbraw/zinc/96/97/00/822969700.db2.gz OSPMSIQDLWOLOK-MRXNPFEDSA-N 1 0 384.524 4.233 20 0 GIADRO CS(=O)(=O)CCCCC[NH2+][C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000186860475 822969805 /nfs/dbraw/zinc/96/98/05/822969805.db2.gz CBUYOBOHRSKXNS-HXUWFJFHSA-N 1 0 381.488 4.053 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)Cc1scnc1-c1ccccc1 ZINC000458222528 822970585 /nfs/dbraw/zinc/97/05/85/822970585.db2.gz WCSZXCFBTKAHBH-UHFFFAOYSA-N 1 0 385.558 4.005 20 0 GIADRO C[NH+](C)Cc1cccc(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCOC2)c1 ZINC000186864346 822970722 /nfs/dbraw/zinc/97/07/22/822970722.db2.gz FKYFYRMXVSTLTR-INIZCTEOSA-N 1 0 388.895 4.069 20 0 GIADRO COc1ccccc1-c1ccc([C@@H](C)[NH2+]CCCCCS(C)(=O)=O)cc1 ZINC000186864203 822970747 /nfs/dbraw/zinc/97/07/47/822970747.db2.gz CJWFRKZIROKLFS-QGZVFWFLSA-N 1 0 375.534 4.228 20 0 GIADRO CC[NH+]1CCN(Cc2ccc(NCc3ccc4c(c3)COC(C)(C)O4)cc2)CC1 ZINC000186868033 822971421 /nfs/dbraw/zinc/97/14/21/822971421.db2.gz XXTILYGTUFRAPA-UHFFFAOYSA-N 1 0 395.547 4.081 20 0 GIADRO CC(C)c1sc(NC(=O)CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)nc1-c1ccccc1 ZINC000569811440 822971729 /nfs/dbraw/zinc/97/17/29/822971729.db2.gz WTPNNYVXGBNVKJ-JWTNVVGKSA-N 1 0 398.576 4.087 20 0 GIADRO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000458235280 822972081 /nfs/dbraw/zinc/97/20/81/822972081.db2.gz YAGBSJMLZWDSAL-AWEZNQCLSA-N 1 0 395.425 4.131 20 0 GIADRO O[C@H]([C@H]1CCC[N@@H+]([C@H](c2ccc(Cl)cc2)C2CCOCC2)C1)C(F)(F)F ZINC000569821838 822972849 /nfs/dbraw/zinc/97/28/49/822972849.db2.gz DNQBWZLPZZZZJS-CGTJXYLNSA-N 1 0 391.861 4.443 20 0 GIADRO C[C@H]([NH2+]C[C@@H](C1CC1)N(C)Cc1ccccc1)c1cccc(N2CCOC2=O)c1 ZINC000186876726 822972860 /nfs/dbraw/zinc/97/28/60/822972860.db2.gz WUSDHPIZGRHXKQ-MBSDFSHPSA-N 1 0 393.531 4.204 20 0 GIADRO CN1C(=O)CCc2cc(C[N@@H+]3CCC[C@@H](c4nc5ccccc5o4)C3)ccc21 ZINC000186876989 822972955 /nfs/dbraw/zinc/97/29/55/822972955.db2.gz MZJGVSNDYQRLJW-GOSISDBHSA-N 1 0 375.472 4.116 20 0 GIADRO CC[C@@H](Cc1ccccc1)NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458249968 822973771 /nfs/dbraw/zinc/97/37/71/822973771.db2.gz KBUWJCCCMSHEQP-KRWDZBQOSA-N 1 0 385.474 4.066 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(Cl)nc1Cl ZINC000175457738 822973838 /nfs/dbraw/zinc/97/38/38/822973838.db2.gz SPSBMEVSVPYPAA-INIZCTEOSA-N 1 0 392.330 4.373 20 0 GIADRO C[C@H](C(=O)N1CCC(OCC[NH+]2CCCC2)CC1)c1ccc2ccccc2c1 ZINC000175457720 822973922 /nfs/dbraw/zinc/97/39/22/822973922.db2.gz JJSPWGSSSGLZOH-IBGZPJMESA-N 1 0 380.532 4.047 20 0 GIADRO COc1cc(NC(=O)CC[NH2+][C@@H]2CCCc3sccc32)c(OC)cc1Cl ZINC000569838714 822974708 /nfs/dbraw/zinc/97/47/08/822974708.db2.gz MCMBKSROHKURIB-CQSZACIVSA-N 1 0 394.924 4.415 20 0 GIADRO Cc1cc(NC(=O)c2ccc(NC(=O)CC(C)C)c(F)c2)ccc1C[NH+](C)C ZINC000458263255 822975256 /nfs/dbraw/zinc/97/52/56/822975256.db2.gz AXBULNFFLIZYTP-UHFFFAOYSA-N 1 0 385.483 4.433 20 0 GIADRO CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)cc1 ZINC000458279604 822977407 /nfs/dbraw/zinc/97/74/07/822977407.db2.gz JXHSXPGEQGBOCR-HNNXBMFYSA-N 1 0 385.533 4.134 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000055553078 822977575 /nfs/dbraw/zinc/97/75/75/822977575.db2.gz PYSXNXMQLWPEMU-HXUWFJFHSA-N 1 0 388.895 4.003 20 0 GIADRO CC[C@@H](C)n1ncc(C(=O)Nc2ccc(OCC[NH+](C)C)c(F)c2)c1C1CC1 ZINC000458284821 822978133 /nfs/dbraw/zinc/97/81/33/822978133.db2.gz JPQXNDNSEAETLC-CQSZACIVSA-N 1 0 388.487 4.063 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(Br)cc1Cl)c1ccc2c(c1)OCC(=O)N2 ZINC000569874722 822979064 /nfs/dbraw/zinc/97/90/64/822979064.db2.gz KYCJXTVNMXGMGZ-JTQLQIEISA-N 1 0 395.684 4.284 20 0 GIADRO C[C@H]([NH2+]C[C@H](c1ccco1)N1CCCC1)c1ncc(Br)cc1F ZINC000186914908 822979443 /nfs/dbraw/zinc/97/94/43/822979443.db2.gz GIGSFMDUCHXLHC-SWLSCSKDSA-N 1 0 382.277 4.064 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)Cc2c[nH]c3cc(Cl)ccc23)cc1F ZINC000458294079 822979870 /nfs/dbraw/zinc/97/98/70/822979870.db2.gz PPVFCFAFVSGIGR-UHFFFAOYSA-N 1 0 389.858 4.082 20 0 GIADRO CC(C)CNC(=O)c1ccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000055562922 822979938 /nfs/dbraw/zinc/97/99/38/822979938.db2.gz NGFVIYYYNKNLRL-UHFFFAOYSA-N 1 0 393.531 4.311 20 0 GIADRO Cc1cc(NC(=O)c2ccccc2-c2nc(C(C)C)no2)ccc1C[NH+](C)C ZINC000458296578 822979981 /nfs/dbraw/zinc/97/99/81/822979981.db2.gz YJMGWCLWEBKKJY-UHFFFAOYSA-N 1 0 378.476 4.482 20 0 GIADRO Cc1csc(Sc2ccc(NC(=O)N3CC[C@H]([NH+]4CC=CC4)C3)cc2)n1 ZINC000175484770 822980365 /nfs/dbraw/zinc/98/03/65/822980365.db2.gz BEVHKMFAHQXNBW-INIZCTEOSA-N 1 0 386.546 4.081 20 0 GIADRO CC[C@H](NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1)c1nc(C)cs1 ZINC000458302867 822980749 /nfs/dbraw/zinc/98/07/49/822980749.db2.gz ATDPFWFYNWVRCS-APWZRJJASA-N 1 0 386.565 4.066 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)CCCc2c[nH]c3ccccc23)cc1F ZINC000458307351 822981373 /nfs/dbraw/zinc/98/13/73/822981373.db2.gz CMAZQJLVBPHTDQ-UHFFFAOYSA-N 1 0 383.467 4.209 20 0 GIADRO COc1ccccc1-c1ccc([C@H](C)NC(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000569911547 822984883 /nfs/dbraw/zinc/98/48/83/822984883.db2.gz QTXWMYVELLEMHF-ABSDTBQOSA-N 1 0 381.520 4.111 20 0 GIADRO CN(CC1(c2ccccc2)CC1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000186948618 822985123 /nfs/dbraw/zinc/98/51/23/822985123.db2.gz NKZNBVQCGQGGIK-UHFFFAOYSA-N 1 0 377.532 4.024 20 0 GIADRO CC[C@@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccccc1OC(F)F ZINC000175509032 822986604 /nfs/dbraw/zinc/98/66/04/822986604.db2.gz HAFDJPJXIAPGOL-UCMJJCQDSA-N 1 0 381.467 4.054 20 0 GIADRO CC[C@H](CNC(=O)C1CC[NH+](C(C)C)CC1)Oc1ccccc1C(F)(F)F ZINC000175509430 822986828 /nfs/dbraw/zinc/98/68/28/822986828.db2.gz FTSILWDYMYCWMW-MRXNPFEDSA-N 1 0 386.458 4.099 20 0 GIADRO CC(C)Sc1cc(Br)ccc1C[NH2+]C[C@H]1CC(=O)N(C2CC2)C1 ZINC000569933249 822987097 /nfs/dbraw/zinc/98/70/97/822987097.db2.gz KJXNWBBNGNCTPA-CYBMUJFWSA-N 1 0 397.382 4.050 20 0 GIADRO CCn1ccnc1[C@@H](C)NC(=O)NCC(CC)(CC)[NH2+][C@H](C)c1ccccc1 ZINC000458365020 822987402 /nfs/dbraw/zinc/98/74/02/822987402.db2.gz FRSVXNAOZAZRQZ-QZTJIDSGSA-N 1 0 385.556 4.173 20 0 GIADRO CCn1ccnc1[C@@H](C)NC(=O)NCC(CC)(CC)[NH2+][C@@H](C)c1ccccc1 ZINC000458365026 822987431 /nfs/dbraw/zinc/98/74/31/822987431.db2.gz FRSVXNAOZAZRQZ-ZWKOTPCHSA-N 1 0 385.556 4.173 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCCc3ccccc3C2)[C@@H]1c1cccs1 ZINC000175512531 822987819 /nfs/dbraw/zinc/98/78/19/822987819.db2.gz DNULOQKPKLNZTR-GHTZIAJQSA-N 1 0 383.561 4.289 20 0 GIADRO COc1ccccc1[C@H](NC(=O)NC(C)(C)CCC[NH+](C)C)c1ccccc1 ZINC000458368390 822987978 /nfs/dbraw/zinc/98/79/78/822987978.db2.gz ZHIDPCNBVRESGW-OAQYLSRUSA-N 1 0 383.536 4.204 20 0 GIADRO CC[C@H](c1ccncc1)N(C)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000175517022 822989001 /nfs/dbraw/zinc/98/90/01/822989001.db2.gz WUNZNVLELZYENV-NSHGMRRFSA-N 1 0 386.565 4.319 20 0 GIADRO CCOc1cc(C[N@@H+]2CCCO[C@@H](C(C)C)C2)ccc1OCC(F)(F)F ZINC000569950994 822989014 /nfs/dbraw/zinc/98/90/14/822989014.db2.gz SHWDDPFNEHAVPA-GOSISDBHSA-N 1 0 375.431 4.273 20 0 GIADRO COC(=O)c1ccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1Cl ZINC000569964652 822990637 /nfs/dbraw/zinc/99/06/37/822990637.db2.gz UCICLFIAJCQESS-UHFFFAOYSA-N 1 0 386.879 4.365 20 0 GIADRO COCCOCc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000569968798 822990868 /nfs/dbraw/zinc/99/08/68/822990868.db2.gz LZDZQQTVSOFOEL-OAQYLSRUSA-N 1 0 385.504 4.204 20 0 GIADRO C[NH+](C)CCCOc1ccc(CNC(=O)Nc2cccc(C(C)(F)F)c2)cc1 ZINC000186978915 822991189 /nfs/dbraw/zinc/99/11/89/822991189.db2.gz BDCUZFSURWEOLK-UHFFFAOYSA-N 1 0 391.462 4.451 20 0 GIADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1c[nH]nc1-c1ccsc1)Cc1ccncc1 ZINC000569969045 822991237 /nfs/dbraw/zinc/99/12/37/822991237.db2.gz QIYPKVVAHYKKFJ-HXUWFJFHSA-N 1 0 381.549 4.020 20 0 GIADRO c1nn(-c2ccccc2)cc1CC[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000569971316 822991536 /nfs/dbraw/zinc/99/15/36/822991536.db2.gz RCQZTWNMICOZTK-QHCPKHFHSA-N 1 0 386.543 4.202 20 0 GIADRO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[NH2+][C@@H](c1ccccc1)C(C)(C)CO ZINC000569972936 822991800 /nfs/dbraw/zinc/99/18/00/822991800.db2.gz PQDONYPYJYVQET-DVECYGJZSA-N 1 0 394.559 4.163 20 0 GIADRO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2cc(C)nc(N3CCCC3)c2)c(C)c1 ZINC000569974607 822991997 /nfs/dbraw/zinc/99/19/97/822991997.db2.gz UYUOYTMGJXOCKL-GOSISDBHSA-N 1 0 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[NH3+][C@@H](CC(=O)NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1)c1ccccc1 ZINC000570089400 823004932 /nfs/dbraw/zinc/00/49/32/823004932.db2.gz IWHPHKZPSTTYRP-KRWDZBQOSA-N 1 0 380.385 4.082 20 0 GIADRO Cc1nc(COc2cccc(C(=O)N(CCC[NH3+])CC3CCCC3)c2)cs1 ZINC000570091683 823005004 /nfs/dbraw/zinc/00/50/04/823005004.db2.gz SZQBINHCLHBOTA-UHFFFAOYSA-N 1 0 387.549 4.012 20 0 GIADRO COc1ccc(-c2noc(C[N@@H+]3CC[C@H](c4ccccc4)[C@H]3C)n2)c(OC)c1 ZINC000175605218 823005536 /nfs/dbraw/zinc/00/55/36/823005536.db2.gz WKNXPMDEEIBMMS-QAPCUYQASA-N 1 0 379.460 4.132 20 0 GIADRO O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC(OCC2CCCC2)CC1 ZINC000175608927 823006086 /nfs/dbraw/zinc/00/60/86/823006086.db2.gz VHRRUEZKJIUULA-JOCHJYFZSA-N 1 0 384.564 4.096 20 0 GIADRO C[C@H]([NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1)C1CCSCC1 ZINC000187073140 823006825 /nfs/dbraw/zinc/00/68/25/823006825.db2.gz VZJQGVYASUYRJA-LSDHHAIUSA-N 1 0 383.399 4.397 20 0 GIADRO COCCOc1ccc(NC(=O)N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)c(C)c1 ZINC000570115368 823007155 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4.024 20 0 GIADRO CC[C@H](C)Sc1ccc(NC(=O)N2CC[NH+](C3CCOCC3)CC2)c(C)c1 ZINC000175669997 823016813 /nfs/dbraw/zinc/01/68/13/823016813.db2.gz UCYIAGUKJXDSOL-KRWDZBQOSA-N 1 0 391.581 4.214 20 0 GIADRO CCC[C@@H]([NH2+][C@@H](C)C1CCS(=O)(=O)CC1)c1cccc(C(F)(F)F)c1 ZINC000187141892 823016829 /nfs/dbraw/zinc/01/68/29/823016829.db2.gz WXSJMWHUTKYQOI-SUMWQHHRSA-N 1 0 377.472 4.350 20 0 GIADRO CCCCN(CC)c1ccc(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000175672237 823017350 /nfs/dbraw/zinc/01/73/50/823017350.db2.gz OJSNXRMBDQLNTH-UHFFFAOYSA-N 1 0 394.563 4.102 20 0 GIADRO CC1CC[NH+](Cc2ccc(NCc3ccc4c(c3)CCC(=O)N4C)cc2)CC1 ZINC000187147507 823017570 /nfs/dbraw/zinc/01/75/70/823017570.db2.gz BPCJAWVYKUSLOY-UHFFFAOYSA-N 1 0 377.532 4.440 20 0 GIADRO O=C(NC1CC[NH+](Cc2cccnc2)CC1)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000175674204 823017624 /nfs/dbraw/zinc/01/76/24/823017624.db2.gz NBQLABFQRVVERX-BJKOFHAPSA-N 1 0 385.511 4.119 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH2+]Cc1cccc(Cn2cccn2)c1 ZINC000187154591 823018382 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GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+][C@H](C)C1CCS(=O)(=O)CC1 ZINC000187170313 823020413 /nfs/dbraw/zinc/02/04/13/823020413.db2.gz UWECHPTZPUCALB-OLZOCXBDSA-N 1 0 396.553 4.122 20 0 GIADRO O=c1nc(CN(CCO)C2CCC2)[nH]c2scc(-c3ccccc3Cl)c21 ZINC000570260301 823020464 /nfs/dbraw/zinc/02/04/64/823020464.db2.gz NRBOMZMFOSLQEY-UHFFFAOYSA-N 1 0 389.908 4.064 20 0 GIADRO COc1cc(C)ccc1Oc1ccc(NC(=O)N2CCC[C@H](C[NH3+])C2)cc1F ZINC000570262438 823020623 /nfs/dbraw/zinc/02/06/23/823020623.db2.gz TUEHJKGKJXFGPC-OAHLLOKOSA-N 1 0 387.455 4.138 20 0 GIADRO COc1cnccc1[C@@H](C)NC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000187174502 823020867 /nfs/dbraw/zinc/02/08/67/823020867.db2.gz RUYIZADUTAQFKB-ZWKOTPCHSA-N 1 0 396.535 4.114 20 0 GIADRO COc1ccc(C[C@@H](C)[NH2+][C@H](C)c2ncc(Br)cc2F)cc1OC ZINC000187181555 823021831 /nfs/dbraw/zinc/02/18/31/823021831.db2.gz MGPJXUQHVIBRPL-VXGBXAGGSA-N 1 0 397.288 4.282 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCC[C@@H]1[C@H]1CCCOC1 ZINC000570275854 823021911 /nfs/dbraw/zinc/02/19/11/823021911.db2.gz QAGMWDRBPNZAHE-WTIAFYNJSA-N 1 0 399.579 4.162 20 0 GIADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2ccc(OC(C)(C)C)cc2)cc1 ZINC000175696429 823022390 /nfs/dbraw/zinc/02/23/90/823022390.db2.gz BNFSUEAXVBZEKW-UHFFFAOYSA-N 1 0 383.492 4.006 20 0 GIADRO CC(C)[C@@]1(CO)CCC[N@H+](Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C1 ZINC000570286909 823022680 /nfs/dbraw/zinc/02/26/80/823022680.db2.gz HZGCHAJCIFPKDJ-IBGZPJMESA-N 1 0 381.442 4.122 20 0 GIADRO Cc1cc(NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)ccc1NC(=O)c1ccco1 ZINC000175698716 823022907 /nfs/dbraw/zinc/02/29/07/823022907.db2.gz MNVMTJICFPYOSG-GOSISDBHSA-N 1 0 398.507 4.178 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)CC[N@@H+]1C ZINC000175700489 823023156 /nfs/dbraw/zinc/02/31/56/823023156.db2.gz JCQYPVRTAUVKDA-RDJZCZTQSA-N 1 0 378.948 4.277 20 0 GIADRO CSc1ccc(O[C@@H](C)C(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)cc1 ZINC000175700872 823023193 /nfs/dbraw/zinc/02/31/93/823023193.db2.gz FFYSPAIWBKKPDO-SFHVURJKSA-N 1 0 398.572 4.299 20 0 GIADRO Cc1ccc(C[N@@H+]2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)c(C)n1 ZINC000187195716 823023563 /nfs/dbraw/zinc/02/35/63/823023563.db2.gz WFLFBPJCWBMIFX-MRXNPFEDSA-N 1 0 389.425 4.140 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)CC1 ZINC000175703994 823023880 /nfs/dbraw/zinc/02/38/80/823023880.db2.gz KGOXZVWOADIJBS-TZIWHRDSSA-N 1 0 384.470 4.191 20 0 GIADRO CC(C)n1nccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000175706654 823024412 /nfs/dbraw/zinc/02/44/12/823024412.db2.gz HEBFUEFGRDXGKA-QWHCGFSZSA-N 1 0 384.402 4.040 20 0 GIADRO CC(C)n1nccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000175706669 823024446 /nfs/dbraw/zinc/02/44/46/823024446.db2.gz HEBFUEFGRDXGKA-STQMWFEESA-N 1 0 384.402 4.040 20 0 GIADRO CC[NH+]1CCN(c2ccc(C(=O)Nc3cccc(COC(C)C)c3)cc2)CC1 ZINC000175709498 823024965 /nfs/dbraw/zinc/02/49/65/823024965.db2.gz GKMQXGOFEQMPTO-UHFFFAOYSA-N 1 0 381.520 4.006 20 0 GIADRO CCOC(=O)Nc1ccc(NC(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)cc1 ZINC000175713717 823025624 /nfs/dbraw/zinc/02/56/24/823025624.db2.gz ZKQNJJTUVMFWPL-QGZVFWFLSA-N 1 0 398.507 4.287 20 0 GIADRO O=C(Cc1cccc(Cl)c1F)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000570323683 823025891 /nfs/dbraw/zinc/02/58/91/823025891.db2.gz PFBSHYZPXQCRBE-UHFFFAOYSA-N 1 0 386.898 4.071 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(-c3ncc4n3CCCC4)c2)C1 ZINC000570331463 823026417 /nfs/dbraw/zinc/02/64/17/823026417.db2.gz NVULCRBCMGISTA-SFHVURJKSA-N 1 0 395.551 4.082 20 0 GIADRO CC(C)Oc1cccc([C@@H](O)C[NH2+][C@@H](C)c2ncc(Br)cc2F)c1 ZINC000187217594 823026436 /nfs/dbraw/zinc/02/64/36/823026436.db2.gz JWYMLOWUHISZIC-SJCJKPOMSA-N 1 0 397.288 4.155 20 0 GIADRO Brc1ccccc1-c1cnc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)o1 ZINC000570329819 823026494 /nfs/dbraw/zinc/02/64/94/823026494.db2.gz UUIZYDQPXSDBHL-RHSMWYFYSA-N 1 0 391.309 4.495 20 0 GIADRO C[C@H](C[NH+]1CCCCCC1)NC(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1 ZINC000187217782 823026562 /nfs/dbraw/zinc/02/65/62/823026562.db2.gz XKKDIBFFKWXMTR-XGCWNURASA-N 1 0 393.597 4.120 20 0 GIADRO Cc1oc(-c2ccccc2)nc1CC(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000187221817 823026950 /nfs/dbraw/zinc/02/69/50/823026950.db2.gz FCINZDJFDJLASJ-KSFYIVLOSA-N 1 0 377.488 4.000 20 0 GIADRO O=C(Nc1cc(F)ccc1OCC1CC1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000570340922 823027075 /nfs/dbraw/zinc/02/70/75/823027075.db2.gz UIFLQELIGHBTHL-SFHVURJKSA-N 1 0 375.488 4.097 20 0 GIADRO COc1ccc(Cl)cc1[C@@H](CC(C)C)[NH2+][C@H](C)C1CCS(=O)(=O)CC1 ZINC000187228266 823027870 /nfs/dbraw/zinc/02/78/70/823027870.db2.gz STWXXRUWZYICFI-RDTXWAMCSA-N 1 0 387.973 4.239 20 0 GIADRO O[C@H]([C@H]1CCC[N@H+](Cc2ccc(-c3c(F)cccc3F)o2)C1)C(F)(F)F ZINC000570358776 823028771 /nfs/dbraw/zinc/02/87/71/823028771.db2.gz NOHVETLIPPNXTJ-APPDUMDISA-N 1 0 375.337 4.360 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH2+]CCc1nc2c(s1)CCCC2 ZINC000187239170 823029013 /nfs/dbraw/zinc/02/90/13/823029013.db2.gz PUTGJFYWVSDZNP-UHFFFAOYSA-N 1 0 379.529 4.425 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH2+]C[C@](C)(O)c1ccc(F)cc1F ZINC000187241047 823029252 /nfs/dbraw/zinc/02/92/52/823029252.db2.gz JWQSEBMFHXCUNB-QFIPXVFZSA-N 1 0 384.426 4.033 20 0 GIADRO C[C@]12CCC[N@@H+]1C[C@H](c1noc(-c3cc(-c4ccccn4)ccc3Cl)n1)OC2 ZINC000570365809 823029592 /nfs/dbraw/zinc/02/95/92/823029592.db2.gz QYTYUKSMQNAGKZ-WIYYLYMNSA-N 1 0 396.878 4.378 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH2+]C[C@@H](O)c1ccc(OC(C)C)cc1 ZINC000187246416 823030064 /nfs/dbraw/zinc/03/00/64/823030064.db2.gz FGTCDOQRAJKPFL-HSZRJFAPSA-N 1 0 392.499 4.368 20 0 GIADRO Cc1ccccc1C[C@@H](C)NC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000175740761 823030085 /nfs/dbraw/zinc/03/00/85/823030085.db2.gz GIZRNBAEMXNLPO-IFMALSPDSA-N 1 0 379.548 4.090 20 0 GIADRO C[C@@H](NC(=O)N1CCC(OCCC[NH+](C)C)CC1)c1cc2ccccc2s1 ZINC000175745966 823030855 /nfs/dbraw/zinc/03/08/55/823030855.db2.gz FHJCHEKBYRQKLO-MRXNPFEDSA-N 1 0 389.565 4.105 20 0 GIADRO C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1c1ccccc1)C(=O)Nc1cccc(Cl)c1Cl ZINC000570384072 823031831 /nfs/dbraw/zinc/03/18/31/823031831.db2.gz XIWGWPAIMUMKKD-SOVGHPHASA-N 1 0 392.330 4.355 20 0 GIADRO O[C@@H](C[NH2+]Cc1coc(-c2cccs2)n1)Cc1ccc(C(F)(F)F)cc1 ZINC000570391161 823032499 /nfs/dbraw/zinc/03/24/99/823032499.db2.gz MGWJYKDAENTNDJ-OAHLLOKOSA-N 1 0 382.407 4.115 20 0 GIADRO CC(C)COc1ccc(C2(C(=O)Nc3nc4c(s3)C[C@@H]([NH3+])CC4)CCC2)cc1 ZINC000570394866 823032767 /nfs/dbraw/zinc/03/27/67/823032767.db2.gz RUJQBLDTGJSJLT-INIZCTEOSA-N 1 0 399.560 4.054 20 0 GIADRO COC(=O)[C@H](Cc1ccccc1)[C@@H](C)[NH2+]Cc1nc(-c2ccccc2)oc1C ZINC000570405424 823033586 /nfs/dbraw/zinc/03/35/86/823033586.db2.gz WPBFIGXUYXTLLV-OXQOHEQNSA-N 1 0 378.472 4.160 20 0 GIADRO CCO[C@@H]1CCN(C(=O)NCC(CC)(CC)[NH2+][C@H](C)c2ccccc2)C[C@@H]1C ZINC000458374729 823033780 /nfs/dbraw/zinc/03/37/80/823033780.db2.gz OXAZYHPTKSNINY-QKNQBKEWSA-N 1 0 389.584 4.353 20 0 GIADRO Cc1csc(C2([NH2+]C[C@@H](O)c3ccc(F)c(Br)c3)CCCC2)n1 ZINC000187274699 823035199 /nfs/dbraw/zinc/03/51/99/823035199.db2.gz QZJFLLLCMRRINN-OAHLLOKOSA-N 1 0 399.329 4.446 20 0 GIADRO C[C@H]([NH2+]Cc1ccnc(OC2CCC(C)CC2)c1)c1ccc2c(c1)OCC(=O)N2 ZINC000570418542 823035265 /nfs/dbraw/zinc/03/52/65/823035265.db2.gz BKZYCSIMBZWRJH-WUJZJPHMSA-N 1 0 395.503 4.221 20 0 GIADRO Cc1cc(Br)cc(C)c1C[NH2+][C@H](C)c1ccc2c(c1)OCC(=O)N2 ZINC000570418697 823035319 /nfs/dbraw/zinc/03/53/19/823035319.db2.gz RZHVTIQKIIBAQH-CYBMUJFWSA-N 1 0 389.293 4.248 20 0 GIADRO Cc1nc(C(C)(C)[NH2+]C[C@H](O)c2ccc(F)c(Br)c2)sc1C ZINC000187275381 823035416 /nfs/dbraw/zinc/03/54/16/823035416.db2.gz SZWNKXHWXGBJBH-AWEZNQCLSA-N 1 0 387.318 4.220 20 0 GIADRO Cc1nc(-c2cccc(NC(=O)N[C@H](C)[C@H](c3ccccc3C)[NH+](C)C)c2)no1 ZINC000570422507 823035766 /nfs/dbraw/zinc/03/57/66/823035766.db2.gz WRBMLOPOUXZXDC-FOIQADDNSA-N 1 0 393.491 4.166 20 0 GIADRO CC(C)CC[NH+]1CCC(CNC(=O)N2CCC(C(=O)c3ccccc3)CC2)CC1 ZINC000175770215 823036035 /nfs/dbraw/zinc/03/60/35/823036035.db2.gz UHQAZNOMVCAZEL-UHFFFAOYSA-N 1 0 399.579 4.049 20 0 GIADRO CC(C)[C@@H](NC(=O)N1CCC(OCCC[NH+](C)C)CC1)c1ccccc1Cl ZINC000175769818 823036173 /nfs/dbraw/zinc/03/61/73/823036173.db2.gz JEDKZIFTXUVUEH-HXUWFJFHSA-N 1 0 395.975 4.179 20 0 GIADRO [NH3+][C@H]1CCc2ncc(NC(=O)N3CCC[C@H]3c3cccc4ccccc43)cc2C1 ZINC000570424797 823036432 /nfs/dbraw/zinc/03/64/32/823036432.db2.gz AYNGMKYUCILNCO-MBSDFSHPSA-N 1 0 386.499 4.420 20 0 GIADRO Cc1ccc(-c2cnc(CCC(=O)N[C@@H](C)C[N@H+]3C[C@H](C)C[C@H](C)C3)o2)cc1 ZINC000055749795 823036672 /nfs/dbraw/zinc/03/66/72/823036672.db2.gz XSOZTIMFDGHQRZ-OTWHNJEPSA-N 1 0 383.536 4.065 20 0 GIADRO Cc1ccc(SC2(C[NH2+][C@H](C)C3CCS(=O)(=O)CC3)CCCC2)cc1 ZINC000187284526 823036975 /nfs/dbraw/zinc/03/69/75/823036975.db2.gz SBRLLOUAAYCFBN-QGZVFWFLSA-N 1 0 381.607 4.203 20 0 GIADRO C[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccccc2Br)c2ccccc21 ZINC000570430387 823037057 /nfs/dbraw/zinc/03/70/57/823037057.db2.gz MQSQWQUVPVOMFF-GLJUWKHASA-N 1 0 376.294 4.027 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)c1ccc(C)nc1Cl)[NH+]1CCCCC1 ZINC000055752537 823037183 /nfs/dbraw/zinc/03/71/83/823037183.db2.gz GMYRQJIKHDTLTG-GOSISDBHSA-N 1 0 387.911 4.009 20 0 GIADRO CN(Cc1cnc2cnccn12)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000570432562 823037460 /nfs/dbraw/zinc/03/74/60/823037460.db2.gz OZVFGVNTXJKEHG-UHFFFAOYSA-N 1 0 388.315 4.399 20 0 GIADRO CN(C(=O)NCCc1cc2ccccc2o1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458417931 823038171 /nfs/dbraw/zinc/03/81/71/823038171.db2.gz JKKARLZXZQSGNS-UHFFFAOYSA-N 1 0 397.441 4.034 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH2+][C@H]1CCN(c2ncccc2Cl)C1 ZINC000187294522 823038390 /nfs/dbraw/zinc/03/83/90/823038390.db2.gz XRLKAGUKNQZUKD-IBGZPJMESA-N 1 0 394.906 4.174 20 0 GIADRO C[C@H](CC(=O)N(C)Cc1ccc(Br)cc1Cl)C1CC[NH2+]CC1 ZINC000570449317 823039833 /nfs/dbraw/zinc/03/98/33/823039833.db2.gz WKXDDWMVYJLXBP-GFCCVEGCSA-N 1 0 387.749 4.087 20 0 GIADRO Cc1cccc2[nH]c(CCC(=O)Nc3ccc(CC[NH+]4CCCC4)cc3)nc21 ZINC000175789746 823040639 /nfs/dbraw/zinc/04/06/39/823040639.db2.gz NYKHPIRISCIXDS-UHFFFAOYSA-N 1 0 376.504 4.081 20 0 GIADRO CC(C)Cn1ncnc1C[NH2+][C@H]1CCN(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000570458731 823040740 /nfs/dbraw/zinc/04/07/40/823040740.db2.gz AKCFRDDBXFNBLZ-AZUAARDMSA-N 1 0 393.938 4.040 20 0 GIADRO CN(Cc1c(F)cccc1F)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000458446022 823041350 /nfs/dbraw/zinc/04/13/50/823041350.db2.gz ZGOSRZHZPDDMCL-LIRRHRJNSA-N 1 0 393.503 4.251 20 0 GIADRO Cc1cc(NC(=O)N(C)[C@H](C)c2ccccc2Cl)n(C2CC[NH+](C)CC2)n1 ZINC000570464863 823041357 /nfs/dbraw/zinc/04/13/57/823041357.db2.gz WRVABEKCZISQOR-OAHLLOKOSA-N 1 0 389.931 4.337 20 0 GIADRO CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccsc1)c1ccc(F)cc1F ZINC000458450240 823042061 /nfs/dbraw/zinc/04/20/61/823042061.db2.gz ZDHPQZGUOIUFRZ-GOSISDBHSA-N 1 0 381.492 4.251 20 0 GIADRO CC(C)c1nn(C)c(Cl)c1C(=O)N[C@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000187316243 823042424 /nfs/dbraw/zinc/04/24/24/823042424.db2.gz AHDVPYVFKHTTHO-QGZVFWFLSA-N 1 0 390.959 4.083 20 0 GIADRO Cc1ccc(-c2c[nH]cc2C(=O)NC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000187320489 823043109 /nfs/dbraw/zinc/04/31/09/823043109.db2.gz BVOKTUQGWIYMAE-UHFFFAOYSA-N 1 0 379.529 4.446 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2c[nH]nc2-c2ccsc2)[C@@H]1c1cccs1 ZINC000187321854 823043268 /nfs/dbraw/zinc/04/32/68/823043268.db2.gz LLKFKLGFVRLHIN-SCLBCKFNSA-N 1 0 386.546 4.013 20 0 GIADRO C[C@@H]([NH2+]CC1(c2ccc(C(C)(C)C)cc2)CCC1)C1CCS(=O)(=O)CC1 ZINC000187322684 823043536 /nfs/dbraw/zinc/04/35/36/823043536.db2.gz DUUWJJHWKJWODG-QGZVFWFLSA-N 1 0 377.594 4.209 20 0 GIADRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)C1(c2ccccc2)CCOCC1 ZINC000187324026 823043780 /nfs/dbraw/zinc/04/37/80/823043780.db2.gz JEWYINHSEDVAGQ-HSZRJFAPSA-N 1 0 394.559 4.008 20 0 GIADRO COc1cc(C[NH2+]CCC2C[C@@H](C)O[C@H](C)C2)cc(OC)c1OCC(F)F ZINC000570480083 823043760 /nfs/dbraw/zinc/04/37/60/823043760.db2.gz OXJBENKXBISFAC-ZIAGYGMSSA-N 1 0 387.467 4.031 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C2(c3ccc(F)cc3)CC2)C1 ZINC000060565554 823542874 /nfs/dbraw/zinc/54/28/74/823542874.db2.gz HMRJRUJIFZPIRP-GOSISDBHSA-N 1 0 380.507 4.406 20 0 GIADRO O=C(c1occc1COc1ccccc1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000060579290 823544349 /nfs/dbraw/zinc/54/43/49/823544349.db2.gz VBKUQEOOSWIQAU-UHFFFAOYSA-N 1 0 382.504 4.197 20 0 GIADRO O=C(CCc1cncs1)N(CCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000411102458 823546429 /nfs/dbraw/zinc/54/64/29/823546429.db2.gz OGQDYQDEXIDGOS-UHFFFAOYSA-N 1 0 377.941 4.248 20 0 GIADRO COc1ccc2sc(C(=O)NCc3ccccc3OCC[NH+](C)C)c(C)c2c1 ZINC000460936920 823546523 /nfs/dbraw/zinc/54/65/23/823546523.db2.gz FVHJVIBPZRTCOA-UHFFFAOYSA-N 1 0 398.528 4.089 20 0 GIADRO O=C(c1cnc2cnccc2c1)N(CCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000411103407 823546576 /nfs/dbraw/zinc/54/65/76/823546576.db2.gz PRMKXOYIENWDEJ-UHFFFAOYSA-N 1 0 394.906 4.416 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000123869355 823547752 /nfs/dbraw/zinc/54/77/52/823547752.db2.gz ZNYGYFPWZGPCAX-DNVCBOLYSA-N 1 0 398.576 4.345 20 0 GIADRO O=C(C[C@@H]1CCCO1)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000060615109 823548362 /nfs/dbraw/zinc/54/83/62/823548362.db2.gz ZBVOOPHPEXBSCC-QFIPXVFZSA-N 1 0 378.516 4.135 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@H]2CCN(C(=O)C3CCCCC3)C2)ccc1SC ZINC000123897163 823549799 /nfs/dbraw/zinc/54/97/99/823549799.db2.gz VNVFECGFTNKQGX-QAPCUYQASA-N 1 0 376.566 4.249 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)NC[C@]2(C)OCCc3sccc32)cc1)C(C)C ZINC000460959643 823551031 /nfs/dbraw/zinc/55/10/31/823551031.db2.gz QQIQUSNGVDBEHY-QFIPXVFZSA-N 1 0 386.561 4.196 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000060669177 823551468 /nfs/dbraw/zinc/55/14/68/823551468.db2.gz IOYUFVBDVLHMAD-IBGZPJMESA-N 1 0 378.516 4.307 20 0 GIADRO Cc1cc(C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)ccc1NC(=O)CC(C)C ZINC000460963063 823551530 /nfs/dbraw/zinc/55/15/30/823551530.db2.gz NRXCHIWRPDVGPU-HXOBKFHXSA-N 1 0 387.568 4.220 20 0 GIADRO COc1cc2c(cc1OC)[C@@H](c1cccs1)[N@H+](CCc1cncs1)CC2 ZINC000411152832 823552140 /nfs/dbraw/zinc/55/21/40/823552140.db2.gz HEOVMHJETNHTOM-FQEVSTJZSA-N 1 0 386.542 4.412 20 0 GIADRO CC1(C)C[C@H](C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c2ccccc2O1 ZINC000411153576 823552378 /nfs/dbraw/zinc/55/23/78/823552378.db2.gz BSKPCQGOLDWNID-ZWKOTPCHSA-N 1 0 384.545 4.346 20 0 GIADRO O=C(C[C@H](c1ccc(O)cc1)C1CC1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000411162810 823553208 /nfs/dbraw/zinc/55/32/08/823553208.db2.gz YDPTZHXMEGPWJR-VQTJNVASSA-N 1 0 384.545 4.291 20 0 GIADRO O=C(C[C@H](c1ccc(O)cc1)C1CC1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000411162805 823553274 /nfs/dbraw/zinc/55/32/74/823553274.db2.gz YDPTZHXMEGPWJR-PMACEKPBSA-N 1 0 384.545 4.291 20 0 GIADRO CC[C@H](C(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)c1ccc(F)cc1 ZINC000460973591 823553709 /nfs/dbraw/zinc/55/37/09/823553709.db2.gz NIMSQVMNOAVHIE-PNCHPQGNSA-N 1 0 398.522 4.245 20 0 GIADRO C[N@@H+]1CC[C@@H](CNC(=O)CCc2ccsc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123956799 823555275 /nfs/dbraw/zinc/55/52/75/823555275.db2.gz UOCJAGFBVVDOBL-KXBFYZLASA-N 1 0 380.916 4.282 20 0 GIADRO Brc1ccc(C[NH2+]CCc2nc(-c3ccccn3)cs2)s1 ZINC000123958627 823555401 /nfs/dbraw/zinc/55/54/01/823555401.db2.gz FQIHAWHQLAMAAR-UHFFFAOYSA-N 1 0 380.336 4.361 20 0 GIADRO Clc1ccc(-n2cc(C[NH2+]CCc3nc(-c4ccccn4)cs3)cn2)cc1 ZINC000123959902 823555667 /nfs/dbraw/zinc/55/56/67/823555667.db2.gz PUUANEREBSTMKU-UHFFFAOYSA-N 1 0 395.919 4.377 20 0 GIADRO O=C(NCCCCC[NH+]1CCCCC1)c1ccc(OCc2ccccn2)cc1 ZINC000460992317 823556527 /nfs/dbraw/zinc/55/65/27/823556527.db2.gz JLXZFTCQYMMIGE-UHFFFAOYSA-N 1 0 381.520 4.047 20 0 GIADRO CCC1(C(=O)Nc2ccc(C(=O)N(C)[C@@H]3CCC[N@H+](C)C3)cc2)CCCCC1 ZINC000461000283 823557402 /nfs/dbraw/zinc/55/74/02/823557402.db2.gz BYBHXHKQZJMYMB-HXUWFJFHSA-N 1 0 385.552 4.152 20 0 GIADRO C[C@H]([NH2+][C@@H](CO)Cc1c[nH]c2ccccc12)c1ccc(Br)s1 ZINC000123982320 823557747 /nfs/dbraw/zinc/55/77/47/823557747.db2.gz RHFHKXYIKNXEPP-WCQYABFASA-N 1 0 379.323 4.246 20 0 GIADRO CC[N@H+](CCNC(=O)c1cc(NC(=O)CC(C)(C)C)ccc1Cl)C(C)C ZINC000461003849 823557890 /nfs/dbraw/zinc/55/78/90/823557890.db2.gz WXUNVUPXDQMVQO-UHFFFAOYSA-N 1 0 381.948 4.175 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)ccc1OC(F)F ZINC000123988888 823558029 /nfs/dbraw/zinc/55/80/29/823558029.db2.gz MDSQUROTRCXZBR-XJKSGUPXSA-N 1 0 390.430 4.032 20 0 GIADRO CC[NH+]1CCC(NC(=O)c2ccccc2CSc2nc3ccccc3o2)CC1 ZINC000060793603 823558057 /nfs/dbraw/zinc/55/80/57/823558057.db2.gz JNLIIUGJCLXSJQ-UHFFFAOYSA-N 1 0 395.528 4.334 20 0 GIADRO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C[N@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000411224291 823558477 /nfs/dbraw/zinc/55/84/77/823558477.db2.gz KYLCONZBDRATET-BXUZGUMPSA-N 1 0 397.466 4.223 20 0 GIADRO COc1cc(C[N@H+](C)C[C@@H](O)COc2ccc(SC)cc2)ccc1SC ZINC000411225274 823558645 /nfs/dbraw/zinc/55/86/45/823558645.db2.gz RUZCIWLZRIOHGV-MRXNPFEDSA-N 1 0 393.574 4.011 20 0 GIADRO Cc1cc(NC(=O)C(=O)N(C)[C@H](c2ccccc2C)C(C)C)ccc1C[NH+](C)C ZINC000411232374 823559172 /nfs/dbraw/zinc/55/91/72/823559172.db2.gz SRTRTNNZCKPDKI-QFIPXVFZSA-N 1 0 395.547 4.159 20 0 GIADRO CCOc1cc(C[NH2+]CCOc2ccc(C)cc2)cc(Br)c1OC ZINC000060817893 823559495 /nfs/dbraw/zinc/55/94/95/823559495.db2.gz DICSOGQMTYSRBH-UHFFFAOYSA-N 1 0 394.309 4.333 20 0 GIADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)N[C@@H](COC)c1cccc(Cl)c1)c1ccco1 ZINC000461019724 823560111 /nfs/dbraw/zinc/56/01/11/823560111.db2.gz AWDYKQFEDAJAAS-WBAXXEDZSA-N 1 0 393.915 4.049 20 0 GIADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N1CCC(c2ccc(O)cc2)CC1 ZINC000124016497 823560149 /nfs/dbraw/zinc/56/01/49/823560149.db2.gz OCESCWKDSFZVQV-FQEVSTJZSA-N 1 0 399.560 4.180 20 0 GIADRO Cc1ccc([C@H](NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)c2ccccc2)cc1 ZINC000411259509 823560692 /nfs/dbraw/zinc/56/06/92/823560692.db2.gz AYSWJSKZOGVKDM-XZOQPEGZSA-N 1 0 394.584 4.418 20 0 GIADRO Cc1ccc(C[NH2+]Cc2cccc(OC(F)F)c2)c(-n2cc(Cl)cn2)n1 ZINC000190307196 823561278 /nfs/dbraw/zinc/56/12/78/823561278.db2.gz XPIXUWXCBVVECN-UHFFFAOYSA-N 1 0 378.810 4.120 20 0 GIADRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1cc(NC(=O)CC(C)(C)C)ccc1Cl ZINC000461026058 823561280 /nfs/dbraw/zinc/56/12/80/823561280.db2.gz FMWXHCNGAPTYNQ-CQSZACIVSA-N 1 0 381.948 4.173 20 0 GIADRO Cc1nn(-c2cccc(F)c2)cc1C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000411273919 823561444 /nfs/dbraw/zinc/56/14/44/823561444.db2.gz VPQCWTBSRZNRBP-UHFFFAOYSA-N 1 0 378.451 4.168 20 0 GIADRO COc1ccc([C@H]([NH2+]C[C@@H]2CC=CCC2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000124035992 823561647 /nfs/dbraw/zinc/56/16/47/823561647.db2.gz BDFLSADLERPNKC-VGSWGCGISA-N 1 0 385.529 4.134 20 0 GIADRO CCc1nc2ccccc2n1C1CC[NH+](CC2CCC3(CC2)OCCO3)CC1 ZINC000190316921 823562139 /nfs/dbraw/zinc/56/21/39/823562139.db2.gz CMAURXIOOHQGPH-UHFFFAOYSA-N 1 0 383.536 4.169 20 0 GIADRO Cc1cc(NC(=O)C(=O)N[C@@H](c2cccc(F)c2)C(C)(C)C)ccc1C[NH+](C)C ZINC000411287473 823562368 /nfs/dbraw/zinc/56/23/68/823562368.db2.gz AZPROORKOAJDKR-FQEVSTJZSA-N 1 0 399.510 4.038 20 0 GIADRO Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000411286923 823562427 /nfs/dbraw/zinc/56/24/27/823562427.db2.gz XOZFWAVFEQYSEK-FGTMMUONSA-N 1 0 395.551 4.180 20 0 GIADRO CCS[C@@H]1CC[C@H]([N@H+](C)CCC(=O)Nc2ccccc2Br)C1 ZINC000411298219 823563033 /nfs/dbraw/zinc/56/30/33/823563033.db2.gz NHDZUEDYGPVYBX-UONOGXRCSA-N 1 0 385.371 4.384 20 0 GIADRO CCOCC[N@@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)C[C@H]1CC ZINC000461039605 823563698 /nfs/dbraw/zinc/56/36/98/823563698.db2.gz XHUXKXIIWXNZMY-CEXWTWQISA-N 1 0 399.362 4.056 20 0 GIADRO CCOC(=O)c1csc(CC[NH2+]Cc2csc(-c3ccc(C)cc3)n2)n1 ZINC000190340598 823564615 /nfs/dbraw/zinc/56/46/15/823564615.db2.gz SYRXCWNHKNIOEM-UHFFFAOYSA-N 1 0 387.530 4.084 20 0 GIADRO COC[C@@H]([NH2+][C@H](CO)Cc1c[nH]c2ccccc12)c1cccc(C(F)(F)F)c1 ZINC000124070213 823565001 /nfs/dbraw/zinc/56/50/01/823565001.db2.gz SUDOVQMZEJBFOG-FXAWDEMLSA-N 1 0 392.421 4.067 20 0 GIADRO C[C@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)c1cc(Cl)ccc1Cl ZINC000411332485 823565026 /nfs/dbraw/zinc/56/50/26/823565026.db2.gz BAGLUCSWPUFEIW-SWLSCSKDSA-N 1 0 387.376 4.388 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccsc1 ZINC000060893092 823565104 /nfs/dbraw/zinc/56/51/04/823565104.db2.gz SRWZKCBLQFSPEP-WRUMOOJNSA-N 1 0 375.582 4.399 20 0 GIADRO COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H]2C[C@H]3OCCC[C@H]23)cc1 ZINC000190345557 823565171 /nfs/dbraw/zinc/56/51/71/823565171.db2.gz MEYXUVLLBKOJEZ-DNVJHFABSA-N 1 0 389.499 4.205 20 0 GIADRO CCOC(=O)c1ccc(C[NH2+]C2(c3ccc(Br)cc3)CCC2)nc1 ZINC000411346238 823565698 /nfs/dbraw/zinc/56/56/98/823565698.db2.gz IQBSBVUHJLWYLO-UHFFFAOYSA-N 1 0 389.293 4.190 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)N(CCC(F)(F)F)Cc1ccccc1)c1ccccc1 ZINC000190356631 823565825 /nfs/dbraw/zinc/56/58/25/823565825.db2.gz MKHWICDDPYMVRL-IBGZPJMESA-N 1 0 393.453 4.454 20 0 GIADRO CCN(Cc1ccc2ccccc2c1)C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000411361137 823566352 /nfs/dbraw/zinc/56/63/52/823566352.db2.gz XDLQWIWGVNPJKT-QFIPXVFZSA-N 1 0 382.573 4.406 20 0 GIADRO O=C(CC[NH2+]C1(c2nccs2)CCCC1)Nc1cccc(Br)c1 ZINC000411380825 823567827 /nfs/dbraw/zinc/56/78/27/823567827.db2.gz DFHUOLIMRDVYBD-UHFFFAOYSA-N 1 0 394.338 4.293 20 0 GIADRO Cc1ccc(Cl)c(NC(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)c1C ZINC000411385741 823568538 /nfs/dbraw/zinc/56/85/38/823568538.db2.gz IYUCTYZRTIYIAJ-UHFFFAOYSA-N 1 0 399.922 4.172 20 0 GIADRO CCOc1cccc2cc([C@H](C)NC(=O)NC[C@@H](c3ccccc3)[NH+](C)C)oc21 ZINC000060954873 823569109 /nfs/dbraw/zinc/56/91/09/823569109.db2.gz MWUSFRPEKJFNAH-LPHOPBHVSA-N 1 0 395.503 4.495 20 0 GIADRO C[C@@](O)(C[NH2+]Cc1cc2ccccc2nc1N1CCCCC1)c1ccsc1 ZINC000124119806 823569312 /nfs/dbraw/zinc/56/93/12/823569312.db2.gz HGZGQWVKRAWKOG-JOCHJYFZSA-N 1 0 381.545 4.284 20 0 GIADRO CC(C)[NH+](CCNC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1)C(C)C ZINC000060955291 823569335 /nfs/dbraw/zinc/56/93/35/823569335.db2.gz SQQHSFZDWIBWOJ-LJQANCHMSA-N 1 0 377.529 4.395 20 0 GIADRO O=c1nc(C[NH2+]C2(CCO)CCCCC2)[nH]c2sc(-c3ccccc3)cc21 ZINC000411395620 823569754 /nfs/dbraw/zinc/56/97/54/823569754.db2.gz WGXYTCUDYKKIPC-UHFFFAOYSA-N 1 0 383.517 4.239 20 0 GIADRO CC(C)c1ccccc1NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000190418687 823571100 /nfs/dbraw/zinc/57/11/00/823571100.db2.gz URCCKDREPHHLCV-HXUWFJFHSA-N 1 0 381.520 4.223 20 0 GIADRO CCS(=O)(=O)N1CCC([NH2+][C@H](C)c2ccc(Cl)c(Cl)c2Cl)CC1 ZINC000124146165 823571793 /nfs/dbraw/zinc/57/17/93/823571793.db2.gz OPEJYFZCKODBPS-SNVBAGLBSA-N 1 0 399.771 4.112 20 0 GIADRO CCOc1c(Br)cc(CNC2CC(C)(C)[NH2+]C(C)(C)C2)cc1OC ZINC000061003152 823572158 /nfs/dbraw/zinc/57/21/58/823572158.db2.gz WRDYXKDRHSLRSB-UHFFFAOYSA-N 1 0 399.373 4.255 20 0 GIADRO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1Br ZINC000190427563 823572287 /nfs/dbraw/zinc/57/22/87/823572287.db2.gz FVLURCGOVOVHGB-HOTGVXAUSA-N 1 0 398.732 4.329 20 0 GIADRO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1cc(Cl)c(OC)cc1Cl ZINC000190428200 823572402 /nfs/dbraw/zinc/57/24/02/823572402.db2.gz MIXYMAIGXUAFMI-RDJZCZTQSA-N 1 0 384.307 4.228 20 0 GIADRO CO[C@@H](CNC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)c1ccccc1 ZINC000061011535 823572653 /nfs/dbraw/zinc/57/26/53/823572653.db2.gz MFZMTQIDTIGSIY-QHCPKHFHSA-N 1 0 395.547 4.250 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc3noc(-c4ccc(F)cc4)c3c2)C1 ZINC000124158376 823572816 /nfs/dbraw/zinc/57/28/16/823572816.db2.gz ZTNZDPHAYCWMRD-HNNXBMFYSA-N 1 0 381.451 4.048 20 0 GIADRO CC(C)(C[NH2+]Cc1cccc(OCc2ccccc2Cl)c1)N1CCOCC1 ZINC000061013143 823572896 /nfs/dbraw/zinc/57/28/96/823572896.db2.gz CNZBXCJCNSCDLS-UHFFFAOYSA-N 1 0 388.939 4.119 20 0 GIADRO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+][C@@H]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000190431582 823572953 /nfs/dbraw/zinc/57/29/53/823572953.db2.gz SBKRFLDBSVSUQB-XGRCMKMKSA-N 1 0 378.520 4.060 20 0 GIADRO CCOc1ccc([C@H]([NH2+]C[C@@]2(OC)CCOC2)c2ccccc2Cl)cc1 ZINC000461084844 823573248 /nfs/dbraw/zinc/57/32/48/823573248.db2.gz JIJPUEAUCPAFNM-SFTDATJTSA-N 1 0 375.896 4.223 20 0 GIADRO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000411432669 823573598 /nfs/dbraw/zinc/57/35/98/823573598.db2.gz ZAIIKWZSMKJKFH-INIZCTEOSA-N 1 0 380.414 4.211 20 0 GIADRO COc1ccccc1[C@@H](C)[NH2+]CCC(=O)Nc1ccccc1Br ZINC000411436533 823573971 /nfs/dbraw/zinc/57/39/71/823573971.db2.gz HTPKKZGFCVJJLJ-CYBMUJFWSA-N 1 0 377.282 4.137 20 0 GIADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2csc(-c3ccc(F)cc3)n2)CC1 ZINC000124170242 823574093 /nfs/dbraw/zinc/57/40/93/823574093.db2.gz LWTOAQXFPFQTMD-UHFFFAOYSA-N 1 0 399.491 4.279 20 0 GIADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]Cc2cccc3ccccc32)cc1 ZINC000061029352 823574205 /nfs/dbraw/zinc/57/42/05/823574205.db2.gz DMGLAMPCGCBCMK-UHFFFAOYSA-N 1 0 382.529 4.160 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1cc2c(s1)CCCC2 ZINC000461088092 823574396 /nfs/dbraw/zinc/57/43/96/823574396.db2.gz JXKYYMCEXYKQBB-OAHLLOKOSA-N 1 0 390.574 4.018 20 0 GIADRO CCOc1ccccc1NC(=O)CC[NH2+][C@@H](C)c1cc(OC)c(OC)cc1C ZINC000411442263 823574627 /nfs/dbraw/zinc/57/46/27/823574627.db2.gz GLQXZGIESQANNK-INIZCTEOSA-N 1 0 386.492 4.090 20 0 GIADRO CCN(Cc1cccc(F)c1)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000061036843 823574781 /nfs/dbraw/zinc/57/47/81/823574781.db2.gz OXNKYVZHTPWVLM-UHFFFAOYSA-N 1 0 389.540 4.331 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+][C@H](CCO)C1CCOCC1 ZINC000461091381 823574952 /nfs/dbraw/zinc/57/49/52/823574952.db2.gz OBCDBRQFQGFFBS-FZKQIMNGSA-N 1 0 378.513 4.086 20 0 GIADRO c1ccc(OCC2CC2)c(C[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)c1 ZINC000124180565 823575032 /nfs/dbraw/zinc/57/50/32/823575032.db2.gz XENLSHPSINUTJZ-HXUWFJFHSA-N 1 0 380.536 4.173 20 0 GIADRO COc1cccc(NC(=O)CC[NH2+][C@H](CC(F)(F)F)c2ccc(F)cc2)c1 ZINC000411446705 823575143 /nfs/dbraw/zinc/57/51/43/823575143.db2.gz CDPCPAGWPULTJU-QGZVFWFLSA-N 1 0 384.373 4.446 20 0 GIADRO COc1cccc(NC(=O)CC[NH2+][C@@H](CC(F)(F)F)c2ccc(F)cc2)c1 ZINC000411446702 823575235 /nfs/dbraw/zinc/57/52/35/823575235.db2.gz CDPCPAGWPULTJU-KRWDZBQOSA-N 1 0 384.373 4.446 20 0 GIADRO COc1cccc([C@H](C)[NH2+]CCC(=O)Nc2ccc(Br)cc2F)c1 ZINC000411447200 823575342 /nfs/dbraw/zinc/57/53/42/823575342.db2.gz BIFQTPBYERYHMM-LBPRGKRZSA-N 1 0 395.272 4.276 20 0 GIADRO CC[C@H]([NH2+]CCC(=O)Nc1cc(OC)c(Cl)cc1OC)c1ccccc1 ZINC000411447138 823575355 /nfs/dbraw/zinc/57/53/55/823575355.db2.gz BACAZFROKKUHIH-INIZCTEOSA-N 1 0 376.884 4.427 20 0 GIADRO CC(C)=CCSc1ccccc1C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000124189848 823576009 /nfs/dbraw/zinc/57/60/09/823576009.db2.gz SDPPSGRKULNOKW-UHFFFAOYSA-N 1 0 399.560 4.010 20 0 GIADRO COc1ccc([C@H]([NH2+]C[C@@]2(OC)CCOC2)c2ccccc2Cl)c(C)c1 ZINC000461096065 823576249 /nfs/dbraw/zinc/57/62/49/823576249.db2.gz SOOQANQATSLNPR-SFTDATJTSA-N 1 0 375.896 4.142 20 0 GIADRO COc1cc(C)c([C@H](C)[NH2+]CCC(=O)Nc2ccccc2Cl)cc1OC ZINC000411452851 823576279 /nfs/dbraw/zinc/57/62/79/823576279.db2.gz WUHATPDDONAHKH-AWEZNQCLSA-N 1 0 376.884 4.345 20 0 GIADRO COc1ccc2c(c1)CCC[C@@H]2C[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000124197045 823576573 /nfs/dbraw/zinc/57/65/73/823576573.db2.gz RYVCNPOYUGVBIY-VQIMIIECSA-N 1 0 380.488 4.423 20 0 GIADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H](C)CSc2ccccc2OC)C[C@H]1C ZINC000461098186 823576639 /nfs/dbraw/zinc/57/66/39/823576639.db2.gz NNKLIXCXXJWUDD-XWTMOSNGSA-N 1 0 379.566 4.381 20 0 GIADRO CC[NH+]1CCN(Cc2ccccc2CNCc2c(Cl)cccc2Cl)CC1 ZINC000061070329 823576701 /nfs/dbraw/zinc/57/67/01/823576701.db2.gz HDHDPEZKNZOTND-UHFFFAOYSA-N 1 0 392.374 4.421 20 0 GIADRO Clc1ccc(-c2noc(CC[NH2+][C@H](c3ccccc3)[C@@H]3CCOC3)n2)cc1 ZINC000411458552 823577057 /nfs/dbraw/zinc/57/70/57/823577057.db2.gz JKNOZUNAIRCPMG-YLJYHZDGSA-N 1 0 383.879 4.300 20 0 GIADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)[C@H]1CCSc2ccccc21 ZINC000461100864 823577346 /nfs/dbraw/zinc/57/73/46/823577346.db2.gz BOWWFAKEPMKCIK-FPOVZHCZSA-N 1 0 395.572 4.174 20 0 GIADRO CCCCOc1ccc([C@H](C)[NH2+]CCc2nc3ccccc3c(=O)[nH]2)cc1OC ZINC000411461667 823577614 /nfs/dbraw/zinc/57/76/14/823577614.db2.gz SWLSRIUSTJYZRA-INIZCTEOSA-N 1 0 395.503 4.416 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CC(=O)N(Cc2ccco2)Cc2ccccc2)cc1 ZINC000411463745 823577722 /nfs/dbraw/zinc/57/77/22/823577722.db2.gz SOWJDQUNUFGSQZ-SFHVURJKSA-N 1 0 378.472 4.168 20 0 GIADRO Cc1ccc([C@@H](CN2CCOCC2)[NH2+]Cc2cnc3ccc(C)cc3c2)cc1 ZINC000411463796 823577790 /nfs/dbraw/zinc/57/77/90/823577790.db2.gz SSJJSUPSOXNEOP-XMMPIXPASA-N 1 0 375.516 4.015 20 0 GIADRO CCOC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(OCC(F)(F)F)cc2)nc1 ZINC000411464297 823577801 /nfs/dbraw/zinc/57/78/01/823577801.db2.gz XXGVAJFVEJHHRL-ZDUSSCGKSA-N 1 0 382.382 4.050 20 0 GIADRO COc1ccc(C2([NH2+]CC(=O)Nc3nc(-c4cccs4)cs3)CC2)cc1 ZINC000411465319 823577917 /nfs/dbraw/zinc/57/79/17/823577917.db2.gz WUGFGRGMHIHXHM-UHFFFAOYSA-N 1 0 385.514 4.098 20 0 GIADRO O=C(C[NH2+][C@H](c1ccccc1)[C@H]1CCOC1)Nc1nc(-c2cccs2)cs1 ZINC000411464835 823577947 /nfs/dbraw/zinc/57/79/47/823577947.db2.gz VOQZOXWTAZRJGX-HNAYVOBHSA-N 1 0 399.541 4.178 20 0 GIADRO COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]CCc2c(C)nn(C)c2C)cc1 ZINC000124212688 823577991 /nfs/dbraw/zinc/57/79/91/823577991.db2.gz SZXYSGIRNRIIRA-HSZRJFAPSA-N 1 0 381.495 4.301 20 0 GIADRO CO[C@]1(C[NH2+][C@@H](c2ccc(F)cc2)c2ccc(C(F)(F)F)cc2)CCOC1 ZINC000461105010 823578263 /nfs/dbraw/zinc/57/82/63/823578263.db2.gz YUPJXJOKGFSKIR-MOPGFXCFSA-N 1 0 383.385 4.329 20 0 GIADRO O=C(CC[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1)N[C@H]1CCCc2ccccc21 ZINC000411470886 823578464 /nfs/dbraw/zinc/57/84/64/823578464.db2.gz DOEDCDMXRKHNKN-VEXUSMLFSA-N 1 0 392.543 4.328 20 0 GIADRO CC(C)[NH+]1CCN(c2ccc(C(=O)N(C)Cc3ccc(Cl)cc3)cc2)CC1 ZINC000061115540 823578976 /nfs/dbraw/zinc/57/89/76/823578976.db2.gz RMGZVOOFYNEBQJ-UHFFFAOYSA-N 1 0 385.939 4.143 20 0 GIADRO O=C(CC[NH2+][C@H](CCCO)c1ccccc1)Nc1c(Cl)cccc1Cl ZINC000411475116 823579130 /nfs/dbraw/zinc/57/91/30/823579130.db2.gz SBSOOAUOCLLPKT-QGZVFWFLSA-N 1 0 381.303 4.425 20 0 GIADRO Cn1cc([C@H]([NH2+]CCC(=O)Nc2c(Cl)cccc2Cl)C(C)(C)C)cn1 ZINC000411474772 823579132 /nfs/dbraw/zinc/57/91/32/823579132.db2.gz MPXQYCGRPBHPDQ-KRWDZBQOSA-N 1 0 383.323 4.433 20 0 GIADRO COc1ccc2c(c1)CCC[C@@H]2C[NH2+][C@@H](c1ccc(F)cc1)c1cnccn1 ZINC000124229124 823579255 /nfs/dbraw/zinc/57/92/55/823579255.db2.gz JHGIGHRYLXQGFG-JPYJTQIMSA-N 1 0 377.463 4.423 20 0 GIADRO CC(C)c1nn(C)c(Cl)c1C[NH2+]C[C@H](O)c1c(Cl)cccc1Cl ZINC000124230062 823579461 /nfs/dbraw/zinc/57/94/61/823579461.db2.gz MBGJMZHEQFYTFX-ZDUSSCGKSA-N 1 0 376.715 4.327 20 0 GIADRO COC[C@@H]([NH2+]Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1)C1CC1 ZINC000411480828 823579801 /nfs/dbraw/zinc/57/98/01/823579801.db2.gz PDYOFEYCFAQKFF-OAHLLOKOSA-N 1 0 389.908 4.232 20 0 GIADRO COc1ccc(CNC(=O)C[NH2+][C@@H]2CCCSc3ccc(Cl)cc32)cc1 ZINC000461113142 823579878 /nfs/dbraw/zinc/57/98/78/823579878.db2.gz VQWNFZZPUDKVJG-GOSISDBHSA-N 1 0 390.936 4.182 20 0 GIADRO CC(C)C[NH+]1CCC(NC(=O)c2nc(-c3ccccc3)n3c2CCCCC3)CC1 ZINC000061136505 823580005 /nfs/dbraw/zinc/58/00/05/823580005.db2.gz MNODHZRPYGSLER-UHFFFAOYSA-N 1 0 394.563 4.127 20 0 GIADRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cncc(F)c1 ZINC000124239147 823580140 /nfs/dbraw/zinc/58/01/40/823580140.db2.gz GLALCVNAVMUTLY-UHFFFAOYSA-N 1 0 384.282 4.122 20 0 GIADRO O=C(c1ccc(-c2cc(F)c(F)c(F)c2)cc1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000461116331 823580439 /nfs/dbraw/zinc/58/04/39/823580439.db2.gz KEIKAMQMKQTDAU-GOSISDBHSA-N 1 0 388.433 4.471 20 0 GIADRO Cc1c(Br)cccc1CC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000190490315 823580669 /nfs/dbraw/zinc/58/06/69/823580669.db2.gz MRCVTLDFJXHXRV-UHFFFAOYSA-N 1 0 393.369 4.071 20 0 GIADRO O=C(CC[N@@H+]1CCC[C@@H]1C1CCOCC1)N[C@H](c1cccs1)c1ccccc1 ZINC000411494312 823581061 /nfs/dbraw/zinc/58/10/61/823581061.db2.gz JFYBDKLDIMXOBF-OFNKIYASSA-N 1 0 398.572 4.235 20 0 GIADRO O=c1nc(C[NH2+][C@H](CCO)C2CCCCC2)[nH]c2sc(-c3ccccc3)cc21 ZINC000411497417 823581550 /nfs/dbraw/zinc/58/15/50/823581550.db2.gz ZHLZOTFHOQBAEV-GOSISDBHSA-N 1 0 397.544 4.485 20 0 GIADRO CCCn1nc(C)c(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)c1C ZINC000124261454 823581816 /nfs/dbraw/zinc/58/18/16/823581816.db2.gz FTLUPALWUFOMMX-UHFFFAOYSA-N 1 0 382.552 4.216 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)Nc1cccc(OC(F)F)c1 ZINC000061165862 823581979 /nfs/dbraw/zinc/58/19/79/823581979.db2.gz DOGCPIPBBDSQQV-UHFFFAOYSA-N 1 0 375.419 4.206 20 0 GIADRO CC[C@@H]([NH2+]CCC(=O)Nc1cccc(Br)c1)c1nc(C)cs1 ZINC000411509207 823582530 /nfs/dbraw/zinc/58/25/30/823582530.db2.gz COSYKRLLFHESFI-CQSZACIVSA-N 1 0 382.327 4.284 20 0 GIADRO C[C@]1([NH2+]CCC(=O)Nc2ccccc2Oc2ccccc2)CCO[C@@H]1C1CC1 ZINC000411513763 823583056 /nfs/dbraw/zinc/58/30/56/823583056.db2.gz PVIPHMLVQAFNLJ-PKTZIBPZSA-N 1 0 380.488 4.355 20 0 GIADRO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C[N@@H+](C)[C@@H](C)C[S@](C)=O ZINC000411513139 823583058 /nfs/dbraw/zinc/58/30/58/823583058.db2.gz OEOYLBSNWDLVRF-FTJNGKRUSA-N 1 0 390.496 4.336 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]CCc1nc(-c2ccccc2)no1 ZINC000411515727 823583121 /nfs/dbraw/zinc/58/31/21/823583121.db2.gz IIFPYKPKOIVWIY-GFCCVEGCSA-N 1 0 393.413 4.006 20 0 GIADRO Cc1cnc([C@@H]([NH2+]CCC(=O)Nc2ccc(Br)cc2)C2CC2)s1 ZINC000411514802 823583239 /nfs/dbraw/zinc/58/32/39/823583239.db2.gz GUHWMCOUZQQHBT-INIZCTEOSA-N 1 0 394.338 4.284 20 0 GIADRO COC[C@@H]([NH2+]CCC(=O)N[C@@H](c1cccs1)c1ccccc1)c1ccc(C)o1 ZINC000411515748 823583251 /nfs/dbraw/zinc/58/32/51/823583251.db2.gz WFHJOICJLZGCCX-XMSQKQJNSA-N 1 0 398.528 4.223 20 0 GIADRO Cc1csc([C@H](C)[NH2+]CCC(=O)N[C@H](c2cccs2)c2ccccc2)n1 ZINC000411518279 823583738 /nfs/dbraw/zinc/58/37/38/823583738.db2.gz IBBAXTPVKSUKRG-KXBFYZLASA-N 1 0 385.558 4.460 20 0 GIADRO COc1ccccc1C[C@@H]([NH2+]Cc1nc2ccc(Cl)cc2c(=O)[nH]1)C(C)C ZINC000411519393 823583940 /nfs/dbraw/zinc/58/39/40/823583940.db2.gz SAZYHIJWDRMZFR-GOSISDBHSA-N 1 0 385.895 4.354 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@@H](c1ncc(C)s1)C1CC1 ZINC000411521759 823584296 /nfs/dbraw/zinc/58/42/96/823584296.db2.gz ZGRCUDCPIODYGO-QGZVFWFLSA-N 1 0 379.913 4.183 20 0 GIADRO C[C@@H](c1nnc(SCC[C@@H]2CCC[N@@H+]2C)n1-c1ccc(Cl)cc1)N(C)C ZINC000124294007 823584791 /nfs/dbraw/zinc/58/47/91/823584791.db2.gz ICQKYULUWMVAOJ-HOCLYGCPSA-N 1 0 393.988 4.120 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(OC(F)F)c(OC)c2)cc1 ZINC000190543900 823584833 /nfs/dbraw/zinc/58/48/33/823584833.db2.gz VGLZFWXFDHQPCQ-UHFFFAOYSA-N 1 0 378.419 4.391 20 0 GIADRO CCOC(=O)Nc1ccc(NC(=O)NCCC[N@H+](C)C2CCCCC2)cc1 ZINC000061226100 823585367 /nfs/dbraw/zinc/58/53/67/823585367.db2.gz YQNUDUZFWRTOKC-UHFFFAOYSA-N 1 0 376.501 4.031 20 0 GIADRO CC(C)Oc1ccc(CCNC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000061229851 823585731 /nfs/dbraw/zinc/58/57/31/823585731.db2.gz UUFPGXOIJVAUGB-QHCPKHFHSA-N 1 0 395.547 4.153 20 0 GIADRO Cc1cnc([C@@H](C)[NH2+]CCC(=O)N[C@H](c2cccs2)c2ccccc2)s1 ZINC000411539318 823586200 /nfs/dbraw/zinc/58/62/00/823586200.db2.gz MCEAVIDZVSDQGC-BEFAXECRSA-N 1 0 385.558 4.460 20 0 GIADRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1C(F)(F)F)[C@H]1COc2ccccc21 ZINC000411538971 823586163 /nfs/dbraw/zinc/58/61/63/823586163.db2.gz VAVPMDNXAUQXFL-DZGCQCFKSA-N 1 0 378.394 4.188 20 0 GIADRO CC(C)[NH+]1CCC(N[C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)CC1 ZINC000124316475 823586559 /nfs/dbraw/zinc/58/65/59/823586559.db2.gz VPPQOHQYOFEXCO-OAQYLSRUSA-N 1 0 376.504 4.288 20 0 GIADRO C[C@@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1cc2ccccc2o1 ZINC000190562661 823586818 /nfs/dbraw/zinc/58/68/18/823586818.db2.gz UTQBAKQUAFGPAH-QKLQHJQFSA-N 1 0 392.503 4.099 20 0 GIADRO O=C(Cc1cccc(Br)c1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000124337757 823588259 /nfs/dbraw/zinc/58/82/59/823588259.db2.gz RCEFGTHWYRMICH-MRXNPFEDSA-N 1 0 393.350 4.006 20 0 GIADRO O=C(Cc1cccc(Br)c1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000124337611 823588316 /nfs/dbraw/zinc/58/83/16/823588316.db2.gz RCEFGTHWYRMICH-INIZCTEOSA-N 1 0 393.350 4.006 20 0 GIADRO CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](O)c2ccc(F)cc2)cc1 ZINC000124346272 823588913 /nfs/dbraw/zinc/58/89/13/823588913.db2.gz AGHHBXDHDICCEQ-QYWGDWMGSA-N 1 0 387.499 4.472 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@H](C)[C@H](O)c2ccc(F)cc2)nnn1-c1cccc(Cl)c1 ZINC000124347596 823589073 /nfs/dbraw/zinc/58/90/73/823589073.db2.gz NVUIVYXNFLLWNV-RDXCRGQUSA-N 1 0 388.874 4.141 20 0 GIADRO CC(C)C[NH+]1CCC(C(=O)NCc2ccc(-n3cnc4ccccc43)cc2)CC1 ZINC000061284135 823589150 /nfs/dbraw/zinc/58/91/50/823589150.db2.gz PKCSXPFYNNIPQS-UHFFFAOYSA-N 1 0 390.531 4.010 20 0 GIADRO O=C(CCc1cc(F)ccc1F)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000061285729 823589590 /nfs/dbraw/zinc/58/95/90/823589590.db2.gz IKOHKQFUQUHPNO-UHFFFAOYSA-N 1 0 376.472 4.085 20 0 GIADRO C[C@H]([NH2+]CCc1nc(-c2ccccc2)no1)c1ccc(Br)s1 ZINC000411600579 823589977 /nfs/dbraw/zinc/58/99/77/823589977.db2.gz FIMDROUOGIRYAB-NSHDSACASA-N 1 0 378.295 4.454 20 0 GIADRO Cc1ccc(OCCC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)cc1C ZINC000061288099 823590052 /nfs/dbraw/zinc/59/00/52/823590052.db2.gz SXZAFNSEXRJKAR-UHFFFAOYSA-N 1 0 398.572 4.302 20 0 GIADRO C[C@H]([NH2+]CCc1nc2ccccc2c(=O)[nH]1)c1ccc(Br)s1 ZINC000411604591 823590317 /nfs/dbraw/zinc/59/03/17/823590317.db2.gz OLQGROSAGWEBDT-JTQLQIEISA-N 1 0 378.295 4.053 20 0 GIADRO OCCOc1ccccc1C[NH2+][C@H](c1ccc(Br)s1)C1CC1 ZINC000190610584 823591423 /nfs/dbraw/zinc/59/14/23/823591423.db2.gz USVQIVUGDLDGGP-KRWDZBQOSA-N 1 0 382.323 4.123 20 0 GIADRO CS(=O)(=O)Cc1cccc(CNc2cc[nH+]c3cc(C(F)(F)F)ccc23)c1 ZINC000124380354 823591818 /nfs/dbraw/zinc/59/18/18/823591818.db2.gz GGWWRHIEXXXXST-UHFFFAOYSA-N 1 0 394.418 4.410 20 0 GIADRO O=C(C1CCCC1)N1CC[C@@H]([NH2+][C@@H](c2ccc(Br)s2)C2CC2)C1 ZINC000190616063 823591948 /nfs/dbraw/zinc/59/19/48/823591948.db2.gz NZJUQSDHZIXHEN-RHSMWYFYSA-N 1 0 397.382 4.342 20 0 GIADRO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H](C)[C@H](O)c1ccc(F)cc1 ZINC000124381977 823592032 /nfs/dbraw/zinc/59/20/32/823592032.db2.gz JVRQUDVTZOBWID-JMERFSKESA-N 1 0 398.400 4.273 20 0 GIADRO O=C(C1CCCC1)N1CC[C@H]([NH2+][C@@H](c2ccc(Br)s2)C2CC2)C1 ZINC000190616099 823592152 /nfs/dbraw/zinc/59/21/52/823592152.db2.gz NZJUQSDHZIXHEN-WMLDXEAASA-N 1 0 397.382 4.342 20 0 GIADRO COCC[N@H+](Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1)[C@@H]1CCC[C@@H]1C ZINC000411625271 823592170 /nfs/dbraw/zinc/59/21/70/823592170.db2.gz LCXCYKMKSXXJOV-DZGCQCFKSA-N 1 0 387.505 4.294 20 0 GIADRO O=C(CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)Nc1c(Cl)cccc1Cl ZINC000411630936 823592335 /nfs/dbraw/zinc/59/23/35/823592335.db2.gz KYYZRFZKIBLZJB-NXOUGTEYSA-N 1 0 383.319 4.259 20 0 GIADRO O=C(CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)Nc1cc(Cl)ccc1Cl ZINC000411634060 823592607 /nfs/dbraw/zinc/59/26/07/823592607.db2.gz UFYWOTSVVMWKJZ-XWIAVFTESA-N 1 0 383.319 4.259 20 0 GIADRO CC(C)(CO)[C@@H]([NH2+]CCc1nc(-c2ccc(Cl)cc2)no1)c1ccccc1 ZINC000411644567 823593340 /nfs/dbraw/zinc/59/33/40/823593340.db2.gz RFHSKPBMDXPYRD-IBGZPJMESA-N 1 0 385.895 4.282 20 0 GIADRO CCCCOc1ccc(CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1Cl ZINC000190641844 823594399 /nfs/dbraw/zinc/59/43/99/823594399.db2.gz JHNXSMFPNFDOFB-WBVHZDCISA-N 1 0 381.948 4.143 20 0 GIADRO O=C(CC[N@@H+]1CCC[C@@H]1c1cc[nH]n1)Nc1ccc(Oc2ccccc2)cc1 ZINC000411651397 823594382 /nfs/dbraw/zinc/59/43/82/823594382.db2.gz CMJUCROFLPBDCR-OAQYLSRUSA-N 1 0 376.460 4.368 20 0 GIADRO COc1cc(C(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)sc1Br ZINC000124410484 823594545 /nfs/dbraw/zinc/59/45/45/823594545.db2.gz PGXULLNEJIGJMY-CYBMUJFWSA-N 1 0 397.338 4.072 20 0 GIADRO O=C(CC[N@@H+]1CCC[C@@H]1c1cc[nH]n1)Nc1ccccc1Oc1ccccc1 ZINC000411657498 823595140 /nfs/dbraw/zinc/59/51/40/823595140.db2.gz UGEKDTANIFZVTF-HXUWFJFHSA-N 1 0 376.460 4.368 20 0 GIADRO CCOc1ccc(NC(=O)CC[NH2+][C@@H](c2ccc(C)cc2)c2ccccn2)cc1 ZINC000411658133 823595240 /nfs/dbraw/zinc/59/52/40/823595240.db2.gz KMVBBWPWPPODKM-DEOSSOPVSA-N 1 0 389.499 4.497 20 0 GIADRO COc1ccc2[nH]c(C(=O)Nc3cccc(C[NH+]4CCSCC4)c3C)cc2c1 ZINC000190664871 823596287 /nfs/dbraw/zinc/59/62/87/823596287.db2.gz VPUUHBGFFRCXCQ-UHFFFAOYSA-N 1 0 395.528 4.286 20 0 GIADRO O=C(CC[NH2+][C@@H]1CCCC[C@H]1OC(F)F)Nc1c(Cl)cccc1Cl ZINC000411691103 823597239 /nfs/dbraw/zinc/59/72/39/823597239.db2.gz MYXLBPOHENKZHW-CHWSQXEVSA-N 1 0 381.250 4.462 20 0 GIADRO O=C(CC[NH2+][C@]1(Cc2ccc(Cl)cc2)CCOC1)Nc1ccccc1Cl ZINC000411694777 823597722 /nfs/dbraw/zinc/59/77/22/823597722.db2.gz RTHGSYLOARRUBG-FQEVSTJZSA-N 1 0 393.314 4.313 20 0 GIADRO O=C(CC[NH2+][C@H]1CCCC12CCOCC2)N[C@@H](c1cccs1)c1ccccc1 ZINC000411699142 823597819 /nfs/dbraw/zinc/59/78/19/823597819.db2.gz YDAQYQCNSZPJOK-RBBKRZOGSA-N 1 0 398.572 4.283 20 0 GIADRO COCC[C@H]([NH2+]Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1)C(C)(C)C ZINC000411702643 823598125 /nfs/dbraw/zinc/59/81/25/823598125.db2.gz ZNRVIAFQWOWMCV-AWEZNQCLSA-N 1 0 375.494 4.198 20 0 GIADRO COc1cc(C[NH2+][C@H](CCO)c2ccccc2)ccc1OCc1c(C)noc1C ZINC000124457725 823598276 /nfs/dbraw/zinc/59/82/76/823598276.db2.gz QHCXDHYMWFTEMY-OAQYLSRUSA-N 1 0 396.487 4.092 20 0 GIADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)C1 ZINC000124458130 823598349 /nfs/dbraw/zinc/59/83/49/823598349.db2.gz CFKYNLKDIJQVCO-LJQANCHMSA-N 1 0 393.531 4.037 20 0 GIADRO O=C(CC[NH2+][C@H](CCO)c1ccc(Cl)c(Cl)c1)Nc1ccccc1F ZINC000411716863 823599401 /nfs/dbraw/zinc/59/94/01/823599401.db2.gz HJZXFTCNKGSOMG-MRXNPFEDSA-N 1 0 385.266 4.174 20 0 GIADRO CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)o1 ZINC000411717686 823599509 /nfs/dbraw/zinc/59/95/09/823599509.db2.gz JHNZMXPIHCMRNH-HZPDHXFCSA-N 1 0 387.423 4.128 20 0 GIADRO CCN(CC)c1nc2sc(C(=O)NCCC3CC[NH+](CC)CC3)cc2s1 ZINC000461213500 823599739 /nfs/dbraw/zinc/59/97/39/823599739.db2.gz PEHVCUPNERCEGZ-UHFFFAOYSA-N 1 0 394.610 4.056 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCCc2c1cnn2Cc1ccccc1)c1ccc2c(c1)OCO2 ZINC000124476064 823600005 /nfs/dbraw/zinc/60/00/05/823600005.db2.gz OOGNAQDNDCGQHB-OXJNMPFZSA-N 1 0 375.472 4.388 20 0 GIADRO Cc1ccc([C@H](CNC(=O)Cc2coc(-c3ccccc3)n2)[NH+]2CCCC2)cc1 ZINC000061503053 823600039 /nfs/dbraw/zinc/60/00/39/823600039.db2.gz KKRPUYXQAKQUGF-QFIPXVFZSA-N 1 0 389.499 4.146 20 0 GIADRO COc1ccc(CC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)cc1F ZINC000061503774 823600149 /nfs/dbraw/zinc/60/01/49/823600149.db2.gz UUECKERFKLQCMF-UHFFFAOYSA-N 1 0 384.495 4.069 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000061503117 823600155 /nfs/dbraw/zinc/60/01/55/823600155.db2.gz AURJIUJRWQNSEP-LJQANCHMSA-N 1 0 387.867 4.124 20 0 GIADRO C[C@H](Oc1ccc(F)cc1)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000061503811 823600250 /nfs/dbraw/zinc/60/02/50/823600250.db2.gz BRRJFFJFLNZFRD-SFHVURJKSA-N 1 0 384.495 4.285 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)CSc2ccc(F)c(F)c2)[NH+]2CCCC2)cc1 ZINC000061503152 823600260 /nfs/dbraw/zinc/60/02/60/823600260.db2.gz HQUUMIKDLXUSGW-HXUWFJFHSA-N 1 0 390.499 4.319 20 0 GIADRO O=C(CCOc1ccccc1F)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000061503947 823600292 /nfs/dbraw/zinc/60/02/92/823600292.db2.gz AGXYLVCPLQRWOZ-UHFFFAOYSA-N 1 0 384.495 4.287 20 0 GIADRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+]CCc1nc(-c2ccccc2)no1 ZINC000411725933 823600318 /nfs/dbraw/zinc/60/03/18/823600318.db2.gz GVHXUOBBCMCEHN-NJDAHSKKSA-N 1 0 377.488 4.220 20 0 GIADRO C[C@H](NC(=O)N(C)[C@H]1CC[C@@H](C(F)(F)F)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000461217139 823600368 /nfs/dbraw/zinc/60/03/68/823600368.db2.gz KZNQSOJVYBVPKM-DZJNRPSUSA-N 1 0 385.474 4.440 20 0 GIADRO O=C(CC[NH2+][C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)Nc1ccccc1 ZINC000411729947 823600623 /nfs/dbraw/zinc/60/06/23/823600623.db2.gz XNYXQRKHWVPWBA-FQEVSTJZSA-N 1 0 392.421 4.025 20 0 GIADRO CCC[NH+]1CCC(NC(=O)CCC(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000061510385 823600721 /nfs/dbraw/zinc/60/07/21/823600721.db2.gz GGVSWXCUXVQDLQ-UHFFFAOYSA-N 1 0 378.516 4.307 20 0 GIADRO Cc1noc(C)c1C(C)(C)[NH2+]CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000411733360 823600979 /nfs/dbraw/zinc/60/09/79/823600979.db2.gz VTKLBWQYAFOCJJ-OAQYLSRUSA-N 1 0 397.544 4.474 20 0 GIADRO OC[C@]1(Cc2ccc(F)cc2)CC[N@H+](Cc2ccc(-c3ncco3)cc2F)C1 ZINC000411737073 823601026 /nfs/dbraw/zinc/60/10/26/823601026.db2.gz OOZYCTOIOAQPRJ-QFIPXVFZSA-N 1 0 384.426 4.047 20 0 GIADRO O[C@@H](C[NH2+]Cc1ccc(Br)c(Br)c1)c1ccccc1 ZINC000124491126 823601069 /nfs/dbraw/zinc/60/10/69/823601069.db2.gz RQAKNFKJESJJGN-HNNXBMFYSA-N 1 0 385.099 4.035 20 0 GIADRO CC(C)Oc1ccc(CCNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000061520969 823601070 /nfs/dbraw/zinc/60/10/70/823601070.db2.gz GMAAMCFDQXJRDM-UHFFFAOYSA-N 1 0 395.547 4.112 20 0 GIADRO CC(C)[C@@](C)(CO)[NH2+]Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1 ZINC000411743379 823601732 /nfs/dbraw/zinc/60/17/32/823601732.db2.gz FMLKXCSZFRRXCQ-LJQANCHMSA-N 1 0 391.924 4.214 20 0 GIADRO CN1CC[C@H]([NH2+]CCC(=O)Nc2ccccc2Cl)[C@@H]1c1ccc(Cl)cc1 ZINC000411750159 823602222 /nfs/dbraw/zinc/60/22/22/823602222.db2.gz QEMWFMBBQSVDSG-ICSRJNTNSA-N 1 0 392.330 4.357 20 0 GIADRO COc1cccc(CN(CC[NH+](C)C)C(=O)Nc2ccc3occ(C)c3c2)c1 ZINC000190724642 823602460 /nfs/dbraw/zinc/60/24/60/823602460.db2.gz OHAYXHVFFZPXSJ-UHFFFAOYSA-N 1 0 381.476 4.346 20 0 GIADRO c1ncc(CCN(Cc2ccncc2)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)s1 ZINC000411754730 823602624 /nfs/dbraw/zinc/60/26/24/823602624.db2.gz HUWNRQRTXRHWJI-JOCHJYFZSA-N 1 0 392.572 4.247 20 0 GIADRO O=C(C[C@@H](c1ccc(O)cc1)C1CC1)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000411762254 823603374 /nfs/dbraw/zinc/60/33/74/823603374.db2.gz WXZPGWMOTJOYCL-VGOFRKELSA-N 1 0 398.572 4.366 20 0 GIADRO Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]C[C@H]1COc2ccccc2C1 ZINC000061556032 823603620 /nfs/dbraw/zinc/60/36/20/823603620.db2.gz YFXYSZYEBPIVJP-SFHVURJKSA-N 1 0 381.907 4.234 20 0 GIADRO Cc1cccc2c1OCC[C@H]2NC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000190745003 823604539 /nfs/dbraw/zinc/60/45/39/823604539.db2.gz OQVIBAXDRUQXHU-XMSQKQJNSA-N 1 0 393.531 4.343 20 0 GIADRO O=C(CC[NH2+][C@H]([C@H](CO)C1CC1)C1CC1)Nc1ccccc1-c1ccccc1 ZINC000411795155 823605435 /nfs/dbraw/zinc/60/54/35/823605435.db2.gz URDDVQGUNOBIEQ-QPPBQGQZSA-N 1 0 378.516 4.069 20 0 GIADRO Cc1c2ccccc2oc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000124547910 823605544 /nfs/dbraw/zinc/60/55/44/823605544.db2.gz LRAQYEMCNQWQRQ-LEWJYISDSA-N 1 0 397.563 4.150 20 0 GIADRO CSc1ccccc1NC(=O)CC[NH2+]C1(Cc2ccccc2)CCOCC1 ZINC000411795807 823605583 /nfs/dbraw/zinc/60/55/83/823605583.db2.gz FNUNJZXBIVVELZ-UHFFFAOYSA-N 1 0 384.545 4.119 20 0 GIADRO COc1c(C)cnc(C[N@H+](C)CCC(=O)Nc2ccccc2C(F)(F)F)c1C ZINC000411797290 823605613 /nfs/dbraw/zinc/60/56/13/823605613.db2.gz UIUCMESXPJOEFK-UHFFFAOYSA-N 1 0 395.425 4.186 20 0 GIADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000461255413 823605938 /nfs/dbraw/zinc/60/59/38/823605938.db2.gz CTSDMGIFDUDRGL-MRXNPFEDSA-N 1 0 377.941 4.410 20 0 GIADRO CC1CC[NH+](C[C@H]2CCCN(C(=O)C[C@H](c3ccc(O)cc3)C3CC3)C2)CC1 ZINC000411801565 823606001 /nfs/dbraw/zinc/60/60/01/823606001.db2.gz WQCNNWOFXSCSCT-XXBNENTESA-N 1 0 384.564 4.246 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCC1(c2ccccc2)CCC1 ZINC000061634165 823607047 /nfs/dbraw/zinc/60/70/47/823607047.db2.gz VTIPOHFZNFUWOY-UHFFFAOYSA-N 1 0 379.548 4.448 20 0 GIADRO CCc1sc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CCN(C)CC2)cc1C ZINC000124570034 823607259 /nfs/dbraw/zinc/60/72/59/823607259.db2.gz UHWANMZNXIIOQO-MOPGFXCFSA-N 1 0 391.625 4.028 20 0 GIADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000461261310 823607430 /nfs/dbraw/zinc/60/74/30/823607430.db2.gz HYTMKNWJKVRFMY-CQSZACIVSA-N 1 0 383.414 4.013 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)[C@H](Oc2ccc(F)c(F)c2)c2ccccc2)CC[N@@H+]1C ZINC000124579122 823607953 /nfs/dbraw/zinc/60/79/53/823607953.db2.gz XUAVKACOVDNVPH-QLVMHMETSA-N 1 0 388.458 4.026 20 0 GIADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cccc(COc2cccc(F)c2)c1 ZINC000461263896 823608336 /nfs/dbraw/zinc/60/83/36/823608336.db2.gz KKASTRGBPYBFJT-NRFANRHFSA-N 1 0 384.495 4.351 20 0 GIADRO C[C@H](CCCc1cccnc1)[NH2+]CCC(=O)Nc1ccccc1C(F)(F)F ZINC000411820917 823608466 /nfs/dbraw/zinc/60/84/66/823608466.db2.gz NHDKXUNLIOIJET-OAHLLOKOSA-N 1 0 379.426 4.430 20 0 GIADRO O=C(CC[NH+]1CCCCC1)Nc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2)cc1 ZINC000411823022 823608705 /nfs/dbraw/zinc/60/87/05/823608705.db2.gz MHVNBMQZBCUXHM-YADHBBJMSA-N 1 0 391.515 4.243 20 0 GIADRO CCN(C)c1ccc(C[NH2+]Cc2ccc(Oc3cccc(OC)c3)nc2)cn1 ZINC000190786040 823608780 /nfs/dbraw/zinc/60/87/80/823608780.db2.gz XQXOOIWMRCDEQW-UHFFFAOYSA-N 1 0 378.476 4.023 20 0 GIADRO COc1ccc(NC(=O)CC[NH2+][C@H](C)CCCc2cccnc2)cc1Cl ZINC000411825284 823608920 /nfs/dbraw/zinc/60/89/20/823608920.db2.gz RKYCKDCUSUOMGE-OAHLLOKOSA-N 1 0 375.900 4.073 20 0 GIADRO Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)n1 ZINC000124594741 823609401 /nfs/dbraw/zinc/60/94/01/823609401.db2.gz QLRIAEDEDVPFMR-NRFANRHFSA-N 1 0 382.508 4.090 20 0 GIADRO Cc1cc(NC(=O)c2c(F)ccc(F)c2F)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000190793431 823609561 /nfs/dbraw/zinc/60/95/61/823609561.db2.gz KVHYAPYVTAHFDA-UHFFFAOYSA-N 1 0 391.437 4.195 20 0 GIADRO Brc1ccccc1-c1noc([C@@H]2CCC[N@@H+]2C[C@@H]2CCCCO2)n1 ZINC000190791807 823609580 /nfs/dbraw/zinc/60/95/80/823609580.db2.gz ZUBNKZXWHFIMBY-BBRMVZONSA-N 1 0 392.297 4.205 20 0 GIADRO CCCCc1noc([C@@H](C)Nc2cc(C)cc(N3CC[NH+](C(C)C)CC3)c2)n1 ZINC000190796719 823610173 /nfs/dbraw/zinc/61/01/73/823610173.db2.gz CRRDBYQNIYIDBJ-GOSISDBHSA-N 1 0 385.556 4.424 20 0 GIADRO COc1ccc(OC)c(NC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)c1 ZINC000061734718 823610292 /nfs/dbraw/zinc/61/02/92/823610292.db2.gz LREOHDYSDIVLMZ-UHFFFAOYSA-N 1 0 397.519 4.402 20 0 GIADRO CCc1cc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CCN(C)CC2)sc1C ZINC000124620432 823611810 /nfs/dbraw/zinc/61/18/10/823611810.db2.gz FDRSJGDAOKUISJ-UXHICEINSA-N 1 0 391.625 4.028 20 0 GIADRO CCc1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CCN(C)CC2)sc1C ZINC000124619980 823611824 /nfs/dbraw/zinc/61/18/24/823611824.db2.gz FDRSJGDAOKUISJ-PMACEKPBSA-N 1 0 391.625 4.028 20 0 GIADRO CC[C@@H]([NH2+]CC(=O)N1CCC[C@@H]1c1cc(OC)ccc1OC)c1ccccc1 ZINC000411883592 823612514 /nfs/dbraw/zinc/61/25/14/823612514.db2.gz NUSOMUKRHAXVBE-NHCUHLMSSA-N 1 0 382.504 4.108 20 0 GIADRO C[C@@H](OC[C@@H](O)C[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F)c1ccc(Cl)cc1 ZINC000124630359 823612643 /nfs/dbraw/zinc/61/26/43/823612643.db2.gz GCWKCLAEOIMUMY-ISWURRPUSA-N 1 0 379.850 4.489 20 0 GIADRO CC[NH+](CC)CCOc1ccc(NC(=O)N2CCc3c(F)cccc3C2)cc1 ZINC000124637094 823613144 /nfs/dbraw/zinc/61/31/44/823613144.db2.gz BTLWLGRRLUDSLL-UHFFFAOYSA-N 1 0 385.483 4.137 20 0 GIADRO CCOc1cc(C)ccc1NC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000061773299 823613280 /nfs/dbraw/zinc/61/32/80/823613280.db2.gz YBSFEELDAQPMJZ-UHFFFAOYSA-N 1 0 387.549 4.489 20 0 GIADRO COc1cccc(-c2nc(C[NH2+][C@@H]3Cc4ccccc4[C@@H]3OC)cs2)c1OC ZINC000411896383 823613832 /nfs/dbraw/zinc/61/38/32/823613832.db2.gz ZAZXAWABZXGCGC-QUCCMNQESA-N 1 0 396.512 4.229 20 0 GIADRO CCNC(=O)c1cccc(C[NH2+]Cc2cc(Br)c(Cl)s2)c1 ZINC000190832975 823614284 /nfs/dbraw/zinc/61/42/84/823614284.db2.gz WZXVWHOIJBPYFS-UHFFFAOYSA-N 1 0 387.730 4.204 20 0 GIADRO CO[C@@](C)([C@@H](C)[NH2+]CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)C1CC1 ZINC000411935756 823615213 /nfs/dbraw/zinc/61/52/13/823615213.db2.gz BQJGKUVWPZSQIO-HWPZZCPQSA-N 1 0 378.822 4.091 20 0 GIADRO CO[C@@](C)([C@H](C)[NH2+]CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)C1CC1 ZINC000411935763 823615229 /nfs/dbraw/zinc/61/52/29/823615229.db2.gz BQJGKUVWPZSQIO-QFYYESIMSA-N 1 0 378.822 4.091 20 0 GIADRO COc1cccc(CN(CC[NH+](C)C)C(=O)Nc2cccc(C(C)(F)F)c2)c1 ZINC000190845162 823615728 /nfs/dbraw/zinc/61/57/28/823615728.db2.gz DMKKBJXBKRFAAS-UHFFFAOYSA-N 1 0 391.462 4.403 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)c2cccnc2SCc2ccc(F)cc2)CC[N@@H+]1C ZINC000124671077 823615938 /nfs/dbraw/zinc/61/59/38/823615938.db2.gz PUGBFEGIGWQWRH-MAUKXSAKSA-N 1 0 387.524 4.068 20 0 GIADRO Cc1cc(C)c(NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c(C)c1 ZINC000190849395 823616308 /nfs/dbraw/zinc/61/63/08/823616308.db2.gz QDGYJJROTLRMLH-OAQYLSRUSA-N 1 0 381.520 4.024 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)N[C@H](C)c2cccc(OC(F)F)c2)c1 ZINC000061864039 823616462 /nfs/dbraw/zinc/61/64/62/823616462.db2.gz IJEPBZULDVEKLA-OAHLLOKOSA-N 1 0 391.462 4.300 20 0 GIADRO COCc1cccc(CNC(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)c1 ZINC000061867012 823616567 /nfs/dbraw/zinc/61/65/67/823616567.db2.gz DNUKVJBCOBYIOA-UHFFFAOYSA-N 1 0 395.547 4.064 20 0 GIADRO COCc1ccc(CNC(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000061868622 823617014 /nfs/dbraw/zinc/61/70/14/823617014.db2.gz HJKDBWCEKOJPJY-LJQANCHMSA-N 1 0 395.547 4.064 20 0 GIADRO CO[C@@](C)([C@H](C)[NH2+]CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)C1CC1 ZINC000411972744 823617283 /nfs/dbraw/zinc/61/72/83/823617283.db2.gz QMMWOMGHVSBAOG-FNVCAUGXSA-N 1 0 398.572 4.015 20 0 GIADRO CO[C@](C)([C@H](C)[NH2+]Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1)C1CC1 ZINC000411978029 823617433 /nfs/dbraw/zinc/61/74/33/823617433.db2.gz YNYUGJQPJOBIOB-HTAPYJJXSA-N 1 0 387.545 4.121 20 0 GIADRO Cc1sc2nc([C@@H](C)N3CC[N@H+](Cc4ccccc4)[C@H](C)C3)[nH]c(=O)c2c1C ZINC000411980457 823617622 /nfs/dbraw/zinc/61/76/22/823617622.db2.gz GSDGVXBAVVAPOP-GDBMZVCRSA-N 1 0 396.560 4.281 20 0 GIADRO O=C(NCCc1cccc2ccccc21)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000061902110 823618206 /nfs/dbraw/zinc/61/82/06/823618206.db2.gz BEDBNUUYIPIKNK-UHFFFAOYSA-N 1 0 387.527 4.478 20 0 GIADRO CSc1ccccc1OC[C@H](O)C[N@H+](Cc1cn2c(cccc2C)n1)C(C)C ZINC000411991514 823618621 /nfs/dbraw/zinc/61/86/21/823618621.db2.gz XVHYYXOSNOFEIG-LJQANCHMSA-N 1 0 399.560 4.015 20 0 GIADRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)NOCc2ccccc2)C1 ZINC000061928600 823618780 /nfs/dbraw/zinc/61/87/80/823618780.db2.gz XTBOQGOQPFHCFF-OALUTQOASA-N 1 0 381.520 4.096 20 0 GIADRO Cc1ccsc1CNC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000061939743 823618993 /nfs/dbraw/zinc/61/89/93/823618993.db2.gz GWODWIVZBWOCOD-QGZVFWFLSA-N 1 0 377.941 4.346 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N[C@H]2CCSc3c(F)cccc32)C1 ZINC000061960044 823620027 /nfs/dbraw/zinc/62/00/27/823620027.db2.gz CQPYQOARNKNQLB-DAYGRLMNSA-N 1 0 379.545 4.030 20 0 GIADRO CC[C@@H](C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1)c1ccc(F)cc1 ZINC000461336737 823620059 /nfs/dbraw/zinc/62/00/59/823620059.db2.gz FDHRIHAWHWSYLO-HSZRJFAPSA-N 1 0 380.507 4.369 20 0 GIADRO Cc1cc([C@@H](C)NC(=O)NCC2([NH+]3CCSCC3)CCCC2)c(C)s1 ZINC000061965412 823620277 /nfs/dbraw/zinc/62/02/77/823620277.db2.gz QCKANKVOMCMWDZ-OAHLLOKOSA-N 1 0 381.611 4.087 20 0 GIADRO COc1cc(F)cc(NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000124733005 823621670 /nfs/dbraw/zinc/62/16/70/823621670.db2.gz HPMISMBVLDQCQI-OXQOHEQNSA-N 1 0 385.483 4.351 20 0 GIADRO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000412007069 823621764 /nfs/dbraw/zinc/62/17/64/823621764.db2.gz WNKYNQPEJHUDBW-BVYCBKJFSA-N 1 0 382.935 4.124 20 0 GIADRO COc1ccccc1-c1nc(C[NH2+]C2(CO)C3CC4CC(C3)CC2C4)cs1 ZINC000412006685 823621799 /nfs/dbraw/zinc/62/17/99/823621799.db2.gz CCSSMLBKAZVXBD-UHFFFAOYSA-N 1 0 384.545 4.096 20 0 GIADRO Cc1cc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c(C)n1-c1nccs1 ZINC000124738981 823622347 /nfs/dbraw/zinc/62/23/47/823622347.db2.gz STADZTAGLVGHJW-FQEVSTJZSA-N 1 0 394.544 4.118 20 0 GIADRO OCC1([C@@H]([NH2+]Cc2ccc(Br)s2)c2ccccc2)CCOCC1 ZINC000412011306 823622433 /nfs/dbraw/zinc/62/24/33/823622433.db2.gz NTVCLVGOSNHKEO-KRWDZBQOSA-N 1 0 396.350 4.131 20 0 GIADRO CO[C@@H](C[NH2+][C@H](c1ccccc1)C1(CO)CCOCC1)c1ccc(Cl)cc1 ZINC000412010801 823622483 /nfs/dbraw/zinc/62/24/83/823622483.db2.gz MMJPYWVHVORQFR-LEWJYISDSA-N 1 0 389.923 4.148 20 0 GIADRO Cc1cc(F)c(Br)cc1NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000190905796 823622591 /nfs/dbraw/zinc/62/25/91/823622591.db2.gz LHINMFUNQLNOPW-UHFFFAOYSA-N 1 0 398.320 4.425 20 0 GIADRO OCC1([C@H]([NH2+]Cc2ccc(Br)cc2)c2ccccc2)CCOCC1 ZINC000412012424 823622661 /nfs/dbraw/zinc/62/26/61/823622661.db2.gz XQMHSYLHCURSHT-LJQANCHMSA-N 1 0 390.321 4.069 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cc(Cl)cc(Br)c1 ZINC000062076016 823622790 /nfs/dbraw/zinc/62/27/90/823622790.db2.gz RBZXGQMMQWQSHU-HNNXBMFYSA-N 1 0 397.700 4.262 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000124749778 823623163 /nfs/dbraw/zinc/62/31/63/823623163.db2.gz LKGRZHUESYSKLF-IBGZPJMESA-N 1 0 393.491 4.041 20 0 GIADRO Cc1cc(F)c(Br)cc1NC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000190919257 823624597 /nfs/dbraw/zinc/62/45/97/823624597.db2.gz UVHXXIZLVICHLY-AWEZNQCLSA-N 1 0 398.320 4.236 20 0 GIADRO COCCCCN(Cc1ccccc1)C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000062228479 823625023 /nfs/dbraw/zinc/62/50/23/823625023.db2.gz LXOOVBPHVHVDJE-UHFFFAOYSA-N 1 0 394.559 4.354 20 0 GIADRO Cc1cccc([C@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c2ccccn2)c1 ZINC000124772763 823625036 /nfs/dbraw/zinc/62/50/36/823625036.db2.gz WTMNYWSGDMTSKH-FQEVSTJZSA-N 1 0 380.536 4.088 20 0 GIADRO O=C(c1csc(-c2ccc(Cl)s2)n1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000062245015 823625894 /nfs/dbraw/zinc/62/58/94/823625894.db2.gz DUEVNUQGXPMBBU-LBPRGKRZSA-N 1 0 381.954 4.225 20 0 GIADRO CC[N@H+](C[C@H](O)C(F)(F)F)[C@@H]1CCSc2ccc(Br)cc21 ZINC000461382145 823626808 /nfs/dbraw/zinc/62/68/08/823626808.db2.gz AHGCBQOAWUTAQF-YPMHNXCESA-N 1 0 384.261 4.231 20 0 GIADRO CC(C)(CCCc1ccccc1)CNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412116815 823627583 /nfs/dbraw/zinc/62/75/83/823627583.db2.gz VIADZEVECJWEEB-NRFANRHFSA-N 1 0 388.621 4.369 20 0 GIADRO Cc1ccnc(Oc2ccc(NC(=O)NC[C@@H](c3ccccc3)[NH+](C)C)cc2)n1 ZINC000124816434 823628431 /nfs/dbraw/zinc/62/84/31/823628431.db2.gz LQGVOPGSBLTCJD-FQEVSTJZSA-N 1 0 391.475 4.002 20 0 GIADRO Fc1ccc(C2([NH2+]Cc3cc(Cl)c4c(c3)OCCO4)CCOCC2)c(F)c1 ZINC000124820420 823628699 /nfs/dbraw/zinc/62/86/99/823628699.db2.gz NIDJDQBPQHRZAH-UHFFFAOYSA-N 1 0 395.833 4.185 20 0 GIADRO CO[C@@]1(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(C)c(C)c2)CCOC1 ZINC000461409710 823630981 /nfs/dbraw/zinc/63/09/81/823630981.db2.gz FOGKUXVLSQZMHZ-XMMPIXPASA-N 1 0 391.515 4.051 20 0 GIADRO COc1ccccc1[C@@H](CC(C)C)NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412156708 823631297 /nfs/dbraw/zinc/63/12/97/823631297.db2.gz KBDINSAVUALZRN-UYAOXDASSA-N 1 0 390.593 4.116 20 0 GIADRO C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412160044 823631681 /nfs/dbraw/zinc/63/16/81/823631681.db2.gz IXYBQXSCRPDNKD-JMQGSBJISA-N 1 0 398.572 4.243 20 0 GIADRO FC(F)(F)c1ccc2c(c1)[nH+]ccc2N1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000124860428 823631843 /nfs/dbraw/zinc/63/18/43/823631843.db2.gz FWIWNUSZXPJXRT-CYBMUJFWSA-N 1 0 387.409 4.175 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)Nc1cccc(OC(F)F)c1 ZINC000062389876 823632092 /nfs/dbraw/zinc/63/20/92/823632092.db2.gz DUYXYNRYCQBSJA-UHFFFAOYSA-N 1 0 399.388 4.162 20 0 GIADRO CC(C)Oc1ccccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000062391490 823632112 /nfs/dbraw/zinc/63/21/12/823632112.db2.gz UWFMBZMJDOJOCQ-UHFFFAOYSA-N 1 0 391.462 4.348 20 0 GIADRO O=C(N[C@@H](c1ccccc1)c1cccc(F)c1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412169307 823632380 /nfs/dbraw/zinc/63/23/80/823632380.db2.gz JMKJLRQOVJCPTB-VXKWHMMOSA-N 1 0 398.547 4.249 20 0 GIADRO CCC(=O)Nc1ccc(NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000062393277 823632345 /nfs/dbraw/zinc/63/23/45/823632345.db2.gz GVEFTASCFMXMLC-UHFFFAOYSA-N 1 0 386.540 4.201 20 0 GIADRO CC(C)Sc1ccccc1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000190970769 823632443 /nfs/dbraw/zinc/63/24/43/823632443.db2.gz OMTCPLYMWCIWML-HXUWFJFHSA-N 1 0 398.572 4.208 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)Nc1ccc(Cl)c(F)c1 ZINC000062394086 823632478 /nfs/dbraw/zinc/63/24/78/823632478.db2.gz PTSWMPDGJWHWPB-UHFFFAOYSA-N 1 0 385.817 4.353 20 0 GIADRO CC(C)(C)[C@@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)c1ccc(F)cc1 ZINC000412179126 823633252 /nfs/dbraw/zinc/63/32/52/823633252.db2.gz XOYIQCQOMSYWCO-MOPGFXCFSA-N 1 0 378.557 4.247 20 0 GIADRO COc1ccc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1C1CC1 ZINC000461423561 823633440 /nfs/dbraw/zinc/63/34/40/823633440.db2.gz GELMAVZUOISYBC-FCHUYYIVSA-N 1 0 390.527 4.167 20 0 GIADRO COc1ccc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1C1CC1 ZINC000461423564 823633495 /nfs/dbraw/zinc/63/34/95/823633495.db2.gz GELMAVZUOISYBC-VXKWHMMOSA-N 1 0 390.527 4.167 20 0 GIADRO C[C@H](Cc1ccc(Cl)cc1)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461425410 823634030 /nfs/dbraw/zinc/63/40/30/823634030.db2.gz IXLRSIDAWBQZBA-QIJUGHKUSA-N 1 0 396.962 4.499 20 0 GIADRO Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)cc1 ZINC000412191065 823634338 /nfs/dbraw/zinc/63/43/38/823634338.db2.gz JFHKVFCCBUIVTA-FKBYEOEOSA-N 1 0 386.605 4.307 20 0 GIADRO CCC(CC)n1nc(C)cc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461427801 823634676 /nfs/dbraw/zinc/63/46/76/823634676.db2.gz QRYQSGPIZIOWMT-NHCUHLMSSA-N 1 0 394.563 4.147 20 0 GIADRO CCOc1cc(Cl)ccc1C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461427565 823634702 /nfs/dbraw/zinc/63/47/02/823634702.db2.gz KYXWXETXTMFFCI-OALUTQOASA-N 1 0 398.934 4.333 20 0 GIADRO COCCOc1ccc([C@H](C)[NH2+]Cc2cc(OC)nc3ccccc23)cc1OC ZINC000124895358 823634699 /nfs/dbraw/zinc/63/46/99/823634699.db2.gz IZYAYEJOWNXAQB-INIZCTEOSA-N 1 0 396.487 4.128 20 0 GIADRO Cc1ccc([C@@H](C[NH2+]Cc2ccccc2OCc2ccncc2)N(C)C)cc1 ZINC000062423288 823634727 /nfs/dbraw/zinc/63/47/27/823634727.db2.gz FRWFGIFNMWFTRX-HSZRJFAPSA-N 1 0 375.516 4.362 20 0 GIADRO COc1ccc(C(=O)Nc2cccc(C[NH2+]C[C@H](C)N3CCC(C)CC3)c2)cc1 ZINC000062423504 823634868 /nfs/dbraw/zinc/63/48/68/823634868.db2.gz DVVYRXZLIFVMRU-IBGZPJMESA-N 1 0 395.547 4.158 20 0 GIADRO COc1cc(CNC[C@@H]2CC[N@@H+](C(C)C)C2)cc(OC)c1OCc1ccccc1 ZINC000062426972 823635152 /nfs/dbraw/zinc/63/51/52/823635152.db2.gz ISCHQWIXTZQWQJ-FQEVSTJZSA-N 1 0 398.547 4.103 20 0 GIADRO C[C@@H](CCNC(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1)CC(C)(C)C ZINC000190988485 823635349 /nfs/dbraw/zinc/63/53/49/823635349.db2.gz FRYKEZDGODFQDL-IBGZPJMESA-N 1 0 388.600 4.192 20 0 GIADRO COc1ccccc1[C@@H]1C[C@H]1C(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000412202819 823635367 /nfs/dbraw/zinc/63/53/67/823635367.db2.gz FFCQLBXLQXSICK-VOFXCDAESA-N 1 0 392.543 4.216 20 0 GIADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@H]2CC(C)(C)Oc3ccccc32)CC1 ZINC000412210227 823636012 /nfs/dbraw/zinc/63/60/12/823636012.db2.gz YYAHMJDGLMDMSU-UWJYYQICSA-N 1 0 393.531 4.068 20 0 GIADRO C#CCN(C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)C1CCCCC1 ZINC000062476364 823637303 /nfs/dbraw/zinc/63/73/03/823637303.db2.gz NFUUGXSOOFTWRI-UHFFFAOYSA-N 1 0 387.955 4.282 20 0 GIADRO O=C(c1ccc(OC2CCC2)cc1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461438341 823637548 /nfs/dbraw/zinc/63/75/48/823637548.db2.gz LEYICNZPFUTKKZ-YADHBBJMSA-N 1 0 390.527 4.212 20 0 GIADRO CSCc1ccc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000461439329 823637721 /nfs/dbraw/zinc/63/77/21/823637721.db2.gz QTZRXPQQKXSVSP-YADHBBJMSA-N 1 0 380.557 4.144 20 0 GIADRO O=C(c1coc2cc(F)ccc12)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461439374 823637748 /nfs/dbraw/zinc/63/77/48/823637748.db2.gz QZRLYNCJGKRPMP-ZWKOTPCHSA-N 1 0 378.447 4.166 20 0 GIADRO C[C@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)c1cccc(Cl)c1 ZINC000461439776 823637806 /nfs/dbraw/zinc/63/78/06/823637806.db2.gz UWRSVSBPEVWPFW-WMQCIHAUSA-N 1 0 382.935 4.424 20 0 GIADRO CC[C@H](C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)c1ccc(F)cc1 ZINC000461440173 823637942 /nfs/dbraw/zinc/63/79/42/823637942.db2.gz AOJNSPJTLTZFBM-XJUOHMSHSA-N 1 0 380.507 4.300 20 0 GIADRO COc1ccc(-c2ccc(C(=O)N3CC[C@@H](C[NH+]4CCCCC4)C3)c(F)c2)cc1 ZINC000461440548 823638034 /nfs/dbraw/zinc/63/80/34/823638034.db2.gz YBFNCQYDVBIPIQ-SFHVURJKSA-N 1 0 396.506 4.449 20 0 GIADRO O=C(CCC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)c1ccc2ccccc2c1 ZINC000461440452 823638129 /nfs/dbraw/zinc/63/81/29/823638129.db2.gz BONVDOUDJOXONG-LJQANCHMSA-N 1 0 378.516 4.137 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)C1 ZINC000062485890 823638167 /nfs/dbraw/zinc/63/81/67/823638167.db2.gz VTWZWMDGPRHEDN-KDURUIRLSA-N 1 0 396.579 4.425 20 0 GIADRO Cc1ccc(Cl)c2ccc(NC(=O)C3CC[NH+]([C@@H]4CCSC4)CC3)nc12 ZINC000412234525 823638251 /nfs/dbraw/zinc/63/82/51/823638251.db2.gz QEBPOHYXXQPFJK-OAHLLOKOSA-N 1 0 389.952 4.353 20 0 GIADRO COc1ccc2occ(C(=O)N3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@H]4C3)c2c1 ZINC000461442794 823638631 /nfs/dbraw/zinc/63/86/31/823638631.db2.gz FUCKKHOLGCOEQA-OALUTQOASA-N 1 0 390.483 4.036 20 0 GIADRO Cc1ccnc(OC2CCN(C(=O)c3cccc(C[NH+]4CCCCC4)c3)CC2)c1 ZINC000412239989 823638815 /nfs/dbraw/zinc/63/88/15/823638815.db2.gz DKXMKCLHXPSJHK-UHFFFAOYSA-N 1 0 393.531 4.060 20 0 GIADRO CSc1ccc(CNC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)cc1 ZINC000062500962 823638958 /nfs/dbraw/zinc/63/89/58/823638958.db2.gz DRNDWDGMGRPEIW-UHFFFAOYSA-N 1 0 391.968 4.335 20 0 GIADRO CCOC1CC(CC[NH2+][C@@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)C1 ZINC000191024058 823639191 /nfs/dbraw/zinc/63/91/91/823639191.db2.gz XANBNJRTPKEVJT-KXNZUKPASA-N 1 0 396.531 4.478 20 0 GIADRO Cc1cc(F)cc2[nH]c(C(=O)N3C[C@H]4CC[N@H+](Cc5ccccc5)C[C@@H]4C3)cc21 ZINC000461447408 823639579 /nfs/dbraw/zinc/63/95/79/823639579.db2.gz IIGOUFZDLYQTDE-RTBURBONSA-N 1 0 391.490 4.210 20 0 GIADRO O=C(CCc1ccc(Cl)s1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461448868 823639859 /nfs/dbraw/zinc/63/98/59/823639859.db2.gz VRLGLDHTGDXENX-QZTJIDSGSA-N 1 0 388.964 4.315 20 0 GIADRO O=C(c1cc2cc(Br)ccc2o1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000461450123 823640205 /nfs/dbraw/zinc/64/02/05/823640205.db2.gz SLTDPDBRMKHKET-CQSZACIVSA-N 1 0 391.309 4.143 20 0 GIADRO C[C@H](NC(=O)[C@@H]1CC(C)(C)Oc2ccccc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000412263807 823641232 /nfs/dbraw/zinc/64/12/32/823641232.db2.gz ZXOMXIVLDHUQCY-RCZSKKKRSA-N 1 0 392.543 4.358 20 0 GIADRO C[C@H](Cc1ccccc1Cl)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461456964 823641491 /nfs/dbraw/zinc/64/14/91/823641491.db2.gz OLIHOQPAPUJPDU-COPCDDAFSA-N 1 0 396.962 4.499 20 0 GIADRO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 ZINC000412266058 823641634 /nfs/dbraw/zinc/64/16/34/823641634.db2.gz YAQYUVFKLXLSND-KAOXLYBCSA-N 1 0 398.616 4.389 20 0 GIADRO O=C(c1cccc(C(F)(F)F)c1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461457676 823641664 /nfs/dbraw/zinc/64/16/64/823641664.db2.gz QRCALZCOVKVHPB-RBUKOAKNSA-N 1 0 388.433 4.300 20 0 GIADRO CC(C)(CNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)c1cccc(Cl)c1F ZINC000412267852 823641794 /nfs/dbraw/zinc/64/17/94/823641794.db2.gz IECWGTPVOPCXGO-HNNXBMFYSA-N 1 0 398.975 4.090 20 0 GIADRO CCCN(CC)c1ccc(C(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)cn1 ZINC000461459719 823642011 /nfs/dbraw/zinc/64/20/11/823642011.db2.gz GJHPJGAUPMHFQZ-UHFFFAOYSA-N 1 0 393.535 4.087 20 0 GIADRO COC[C@@H](Cc1ccccc1)N(C)C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412278215 823642511 /nfs/dbraw/zinc/64/25/11/823642511.db2.gz IRVHGWXOEUJVTM-HSZRJFAPSA-N 1 0 380.532 4.002 20 0 GIADRO Cc1nc(CC2CC2)sc1C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000191050992 823642726 /nfs/dbraw/zinc/64/27/26/823642726.db2.gz LVNCDLMIGZSPMB-GOSISDBHSA-N 1 0 375.582 4.132 20 0 GIADRO O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccc(-c2cc[nH]n2)s1 ZINC000461466336 823642913 /nfs/dbraw/zinc/64/29/13/823642913.db2.gz IAVZKIFQAUJVGV-GOSISDBHSA-N 1 0 394.544 4.170 20 0 GIADRO CCO[C@H]1C[C@@H]([NH2+]CC(=O)Nc2c(C)nn(-c3ccccc3)c2C)C1(CC)CC ZINC000191071235 823644898 /nfs/dbraw/zinc/64/48/98/823644898.db2.gz SRFLJGIRKDGDIS-UXHICEINSA-N 1 0 398.551 4.001 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]C[C@@H](c2ccc(C)cc2)N2CCCC2)cc1NC(C)=O ZINC000125015831 823645256 /nfs/dbraw/zinc/64/52/56/823645256.db2.gz RHYPBRDOOYBORI-JPYJTQIMSA-N 1 0 395.547 4.450 20 0 GIADRO CC(C)n1ncc(C(=O)N2CCC[N@H+](CC3CCC3)CC2)c1-c1ccccc1 ZINC000412315884 823645777 /nfs/dbraw/zinc/64/57/77/823645777.db2.gz LXMOIXZTXBGCQU-UHFFFAOYSA-N 1 0 380.536 4.079 20 0 GIADRO O=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412318758 823645993 /nfs/dbraw/zinc/64/59/93/823645993.db2.gz ZTBQVOJALKWUMG-RLFYNMQTSA-N 1 0 399.387 4.183 20 0 GIADRO CCCn1nccc1C1CCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000412321475 823646330 /nfs/dbraw/zinc/64/63/30/823646330.db2.gz POLFBECGPQEMAZ-UHFFFAOYSA-N 1 0 394.563 4.299 20 0 GIADRO CC[C@H](C)c1nnc(N(C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)n1Cc1cccs1 ZINC000461488516 823647000 /nfs/dbraw/zinc/64/70/00/823647000.db2.gz HSOIIDNJYSMRQH-YESZJQIVSA-N 1 0 375.586 4.210 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)c1ccc(OC(F)F)cc1OC(F)F ZINC000125043524 823647540 /nfs/dbraw/zinc/64/75/40/823647540.db2.gz ONUVGUBUKAKNRX-CJYSPXJISA-N 1 0 377.378 4.498 20 0 GIADRO CC(C)[C@H](CNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)c1ccc(Cl)cc1 ZINC000412339107 823648187 /nfs/dbraw/zinc/64/81/87/823648187.db2.gz OZSMWGGTVMZUFI-UXHICEINSA-N 1 0 395.012 4.413 20 0 GIADRO Cc1ccc(C)c(NC(=O)[C@H](C)Nc2cccc(N3CC[NH+](C(C)C)CC3)c2)c1 ZINC000125060641 823649023 /nfs/dbraw/zinc/64/90/23/823649023.db2.gz VJOOOHSXENVRHJ-FQEVSTJZSA-N 1 0 394.563 4.273 20 0 GIADRO Cc1ccc(NC(=O)[C@@H](C)Nc2cccc(N3CC[NH+](C(C)C)CC3)c2)c(C)c1 ZINC000125068886 823649589 /nfs/dbraw/zinc/64/95/89/823649589.db2.gz VNVLQTOSKIGXQG-HXUWFJFHSA-N 1 0 394.563 4.273 20 0 GIADRO CC(C)[NH+]1CCN(c2cccc(N[C@H](C)c3nnc(-c4ccccc4)o3)c2)CC1 ZINC000125068638 823649637 /nfs/dbraw/zinc/64/96/37/823649637.db2.gz MQXYCJDGIWUCSF-GOSISDBHSA-N 1 0 391.519 4.440 20 0 GIADRO O=C(NCc1cc(-c2ccccc2)on1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000125079236 823650281 /nfs/dbraw/zinc/65/02/81/823650281.db2.gz AQZKADLLNDJVKH-UHFFFAOYSA-N 1 0 396.535 4.139 20 0 GIADRO O=C(Cc1ccc(C(F)(F)F)cc1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000063080693 823650504 /nfs/dbraw/zinc/65/05/04/823650504.db2.gz PXQKOEKVOBWAIT-UHFFFAOYSA-N 1 0 390.449 4.276 20 0 GIADRO Cc1ccc(C)c(C(=O)CCC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000063081314 823650658 /nfs/dbraw/zinc/65/06/58/823650658.db2.gz WMHIFEHGMRAKPQ-UHFFFAOYSA-N 1 0 392.543 4.295 20 0 GIADRO COc1ccc([C@@H](C[NH2+][C@@H](C)c2csc(Cl)c2)N2CCOCC2)cc1 ZINC000191115765 823650785 /nfs/dbraw/zinc/65/07/85/823650785.db2.gz PMQBETXPAFJAJK-KBXCAEBGSA-N 1 0 380.941 4.134 20 0 GIADRO COCC[C@H](NC(=O)CC[C@@H]1CCCC[N@@H+]1C)c1cccc(C(F)(F)F)c1 ZINC000412376517 823650760 /nfs/dbraw/zinc/65/07/60/823650760.db2.gz IHLJAIOAUIRUQE-ROUUACIJSA-N 1 0 386.458 4.164 20 0 GIADRO COCCOc1ccc([C@@H](C)[NH2+]Cc2cc(Br)ccc2F)cc1 ZINC000125091046 823651237 /nfs/dbraw/zinc/65/12/37/823651237.db2.gz HBVVEMKTLAKNGT-CYBMUJFWSA-N 1 0 382.273 4.464 20 0 GIADRO CC[NH+](CC)CCOc1ccc(NC(=O)c2nc(SC)n3ccccc23)cc1 ZINC000063092346 823651376 /nfs/dbraw/zinc/65/13/76/823651376.db2.gz UPXIZPUHLZEKTR-UHFFFAOYSA-N 1 0 398.532 4.029 20 0 GIADRO C[C@H]1CC(O)C[C@H](C)[NH+]1Cc1c(-c2ccc(Cl)cc2)nc2sccn12 ZINC000191134460 823652615 /nfs/dbraw/zinc/65/26/15/823652615.db2.gz AQUDMORGYNDWOD-STQMWFEESA-N 1 0 375.925 4.450 20 0 GIADRO C[NH+]1CCC(NC(=S)N[C@H](c2ccsc2)c2ccc(Cl)cc2)CC1 ZINC000063173095 823653939 /nfs/dbraw/zinc/65/39/39/823653939.db2.gz VLSDQWZKGCZCKK-KRWDZBQOSA-N 1 0 379.982 4.049 20 0 GIADRO Cc1ccc(C)c(-n2cnc3cc(C(=O)N(C)[C@@H]4CC[N@H+](C)[C@H](C)C4)ccc32)c1 ZINC000191160384 823654946 /nfs/dbraw/zinc/65/49/46/823654946.db2.gz LWUKXACFXSNWPK-UYAOXDASSA-N 1 0 390.531 4.197 20 0 GIADRO COc1ccc(-c2nc(Cc3noc([C@H](C)[NH+]4[C@H](C)CC[C@H]4C)n3)co2)cc1 ZINC000191162767 823655127 /nfs/dbraw/zinc/65/51/27/823655127.db2.gz TVHQQQUOXWYILJ-KFWWJZLASA-N 1 0 382.464 4.258 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)N[C@H]2COc3cccc(Cl)c32)CC1 ZINC000461539769 823655752 /nfs/dbraw/zinc/65/57/52/823655752.db2.gz JSMAWMJXOAUGPB-IBGZPJMESA-N 1 0 399.922 4.080 20 0 GIADRO C[C@H](c1nc(-c2ccc(-n3cnc4ccccc43)nc2)no1)[NH+]1CCCCCC1 ZINC000191169338 823655758 /nfs/dbraw/zinc/65/57/58/823655758.db2.gz PULJRCVNIQUICC-MRXNPFEDSA-N 1 0 388.475 4.408 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)c1ccco1)c1ccc(Br)cc1Br ZINC000125173093 823656725 /nfs/dbraw/zinc/65/67/25/823656725.db2.gz OSIYSCQBTNLLCF-ZANVPECISA-N 1 0 389.087 4.189 20 0 GIADRO COc1cccc(Oc2ncccc2C[NH2+]Cc2ccc(N(C)C(C)C)nc2)c1 ZINC000191181941 823657084 /nfs/dbraw/zinc/65/70/84/823657084.db2.gz AOUWAJFDEHXHKW-UHFFFAOYSA-N 1 0 392.503 4.412 20 0 GIADRO C[C@@H](c1ccccc1)N1CCC([NH2+][C@H]2CCN(Cc3ccccn3)C[C@H]2C)CC1 ZINC000125181214 823657222 /nfs/dbraw/zinc/65/72/22/823657222.db2.gz YMUVNCDJFBVJJH-CZSZKKDXSA-N 1 0 392.591 4.107 20 0 GIADRO Cc1ccc(Oc2ccccc2CCNC(=O)C2CC[NH+](C3CC3)CC2)cc1 ZINC000412470881 823657423 /nfs/dbraw/zinc/65/74/23/823657423.db2.gz ZVVRNSYZIVSAPP-UHFFFAOYSA-N 1 0 378.516 4.320 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)c1cnn(C(C)C)c1C)c1ccccc1OCC(=O)N(C)C ZINC000191190176 823657794 /nfs/dbraw/zinc/65/77/94/823657794.db2.gz DPHMXFVUGCCHOR-JXFKEZNVSA-N 1 0 386.540 4.041 20 0 GIADRO CCCOc1ccc(NC(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc1 ZINC000125188308 823657883 /nfs/dbraw/zinc/65/78/83/823657883.db2.gz FMEYSJYKIRXYTM-KRWDZBQOSA-N 1 0 382.508 4.218 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)C3(c4ccccc4)CCC3)CC2)cc1 ZINC000063263133 823658013 /nfs/dbraw/zinc/65/80/13/823658013.db2.gz GPDWOVGXZYGUOM-UHFFFAOYSA-N 1 0 392.543 4.145 20 0 GIADRO C[N@@H+]1CC[C@H](CSc2nnc(-c3cccc(Cl)c3)n2Cc2ccco2)C1 ZINC000191194127 823658257 /nfs/dbraw/zinc/65/82/57/823658257.db2.gz SIAURWFVRMQOMC-AWEZNQCLSA-N 1 0 388.924 4.284 20 0 GIADRO Cc1ccc(CN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C(C)C)s1 ZINC000063274483 823658826 /nfs/dbraw/zinc/65/88/26/823658826.db2.gz HWNAWUWHOWMYOU-SFHVURJKSA-N 1 0 375.538 4.407 20 0 GIADRO Cc1c([C@@H](C)[NH2+]Cc2cccc(CN3CCO[C@H](C)C3)c2)cnn1C(C)(C)C ZINC000191209565 823659412 /nfs/dbraw/zinc/65/94/12/823659412.db2.gz XHUBADPOKTYIMZ-QZTJIDSGSA-N 1 0 384.568 4.018 20 0 GIADRO Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[N@H+](C)CCCNC(=O)OC(C)(C)C ZINC000125212067 823659493 /nfs/dbraw/zinc/65/94/93/823659493.db2.gz VIHNPORMBWNOHF-QGZVFWFLSA-N 1 0 391.556 4.292 20 0 GIADRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@H](O)c1ccc(C(C)(C)C)cc1 ZINC000125230184 823660495 /nfs/dbraw/zinc/66/04/95/823660495.db2.gz ZVEIYSMYBWNPGV-KSSFIOAISA-N 1 0 389.927 4.073 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)NCc2ccc(Sc3ccccc3)cc2)CC[N@@H+]1C ZINC000125234716 823660990 /nfs/dbraw/zinc/66/09/90/823660990.db2.gz SEQMERSUASSXEF-IEBWSBKVSA-N 1 0 383.561 4.462 20 0 GIADRO O=C(NCCc1cccs1)C1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000063301822 823661015 /nfs/dbraw/zinc/66/10/15/823661015.db2.gz MOPLBPVOTBHPDO-UHFFFAOYSA-N 1 0 378.541 4.472 20 0 GIADRO Cc1c([C@@H](C)[NH2+]C[C@@H](c2ccc(Cl)cc2)N2CCOCC2)cnn1C(C)C ZINC000191237114 823661960 /nfs/dbraw/zinc/66/19/60/823661960.db2.gz UULQUGSLJSBVNA-IERDGZPVSA-N 1 0 390.959 4.150 20 0 GIADRO CCOc1cccc([C@H](C)NC(=O)Nc2ccccc2N2CC[NH+](CC)CC2)c1 ZINC000063320860 823662094 /nfs/dbraw/zinc/66/20/94/823662094.db2.gz OVMFXYWMQLWFGV-SFHVURJKSA-N 1 0 396.535 4.110 20 0 GIADRO Cc1cccc(C(C)(C)CNC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000063321672 823662311 /nfs/dbraw/zinc/66/23/11/823662311.db2.gz PDCZPVBJLMCVHC-UHFFFAOYSA-N 1 0 379.548 4.236 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl ZINC000412561651 823662580 /nfs/dbraw/zinc/66/25/80/823662580.db2.gz FOLDJZXLKUOVQW-IAGOWNOFSA-N 1 0 388.895 4.031 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)c1cccc(Cl)c1Cl ZINC000412562834 823662712 /nfs/dbraw/zinc/66/27/12/823662712.db2.gz JFVBPTGTZJWILR-UHFFFAOYSA-N 1 0 383.275 4.195 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000412567948 823663103 /nfs/dbraw/zinc/66/31/03/823663103.db2.gz FRVNBPLRNATLKK-ZWKOTPCHSA-N 1 0 388.895 4.031 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)Cc1cccc(Cl)c1Cl ZINC000412568234 823663347 /nfs/dbraw/zinc/66/33/47/823663347.db2.gz GFMODBGUSFFFDI-UHFFFAOYSA-N 1 0 397.302 4.124 20 0 GIADRO CC(C)Oc1ccc([C@@H](C)NC(=O)NC2CC[NH+](CC3CCCC3)CC2)cc1 ZINC000063333016 823663452 /nfs/dbraw/zinc/66/34/52/823663452.db2.gz RMRZAHDFPBACOA-GOSISDBHSA-N 1 0 387.568 4.489 20 0 GIADRO C[NH+](C)Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)c(F)c1 ZINC000412574819 823663739 /nfs/dbraw/zinc/66/37/39/823663739.db2.gz MLKPQDHXYVPXRM-JKSUJKDBSA-N 1 0 391.284 4.392 20 0 GIADRO CCC[C@H]([NH2+][C@H](C)c1cnn(C(C)C)c1C)C(=O)N1CCc2sccc2C1 ZINC000191256733 823664032 /nfs/dbraw/zinc/66/40/32/823664032.db2.gz XRFUNSSAMIWRKI-BEFAXECRSA-N 1 0 388.581 4.238 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@H]2CCN(c3ccc(Br)cc3)C2)cnn1C(C)C ZINC000191261324 823664714 /nfs/dbraw/zinc/66/47/14/823664714.db2.gz TXTIRQHPXFKHBQ-YOEHRIQHSA-N 1 0 391.357 4.464 20 0 GIADRO Cc1c([C@@H](C)[NH2+][C@@H]2CCN(c3ccc(Br)cc3)C2)cnn1C(C)C ZINC000191261282 823664817 /nfs/dbraw/zinc/66/48/17/823664817.db2.gz TXTIRQHPXFKHBQ-RHSMWYFYSA-N 1 0 391.357 4.464 20 0 GIADRO O=C(NN=C1CC[NH+](C2CCCCC2)CC1)c1ccc(F)cc1Br ZINC000063384174 823666169 /nfs/dbraw/zinc/66/61/69/823666169.db2.gz GCLNHFAFQBTWRS-UHFFFAOYSA-N 1 0 396.304 4.103 20 0 GIADRO Cc1ccc(-n2cccn2)cc1NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000191285420 823667474 /nfs/dbraw/zinc/66/74/74/823667474.db2.gz JZTXFCMBNUWCAQ-IBGZPJMESA-N 1 0 395.532 4.201 20 0 GIADRO Cc1ccc(C(=O)NC2CC[NH+](Cc3ccc(OCC4CC4)cc3)CC2)s1 ZINC000191287273 823667619 /nfs/dbraw/zinc/66/76/19/823667619.db2.gz KHXHPGPDZKGOKY-UHFFFAOYSA-N 1 0 384.545 4.240 20 0 GIADRO Cc1ccc(NC(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)c(-c2nc(C3CC3)no2)c1 ZINC000125327884 823668296 /nfs/dbraw/zinc/66/82/96/823668296.db2.gz LZNKKAFOPNMYDX-MRXNPFEDSA-N 1 0 397.523 4.022 20 0 GIADRO C[C@@H](CNC(=O)Nc1cccc(C2SCCS2)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000125336571 823668763 /nfs/dbraw/zinc/66/87/63/823668763.db2.gz QHDHBBNIUHFSQV-CABCVRRESA-N 1 0 379.595 4.407 20 0 GIADRO O=C(N[C@H](c1ccco1)c1ccccc1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000063407864 823668907 /nfs/dbraw/zinc/66/89/07/823668907.db2.gz KYGUUQUYCJPQPW-QFIPXVFZSA-N 1 0 381.520 4.323 20 0 GIADRO Cc1c([C@@H](C)NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)cnn1C(C)(C)C ZINC000191300566 823668984 /nfs/dbraw/zinc/66/89/84/823668984.db2.gz VIAKBMIXPWFZLN-RBUKOAKNSA-N 1 0 398.595 4.497 20 0 GIADRO CCCN(CCC[NH+](C)C)C(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1 ZINC000191300835 823668995 /nfs/dbraw/zinc/66/89/95/823668995.db2.gz DSTKWJSXTBMPDA-UHFFFAOYSA-N 1 0 396.535 4.159 20 0 GIADRO FC(F)(F)c1nnc(N2CCC[N@H+](Cc3csc4ccccc34)CC2)s1 ZINC000191304375 823669400 /nfs/dbraw/zinc/66/94/00/823669400.db2.gz LLGIQPRJWYRNBQ-UHFFFAOYSA-N 1 0 398.479 4.484 20 0 GIADRO CC1CC[NH+](CCCNC(=O)Nc2cccc(C3SCCS3)c2)CC1 ZINC000125359774 823670508 /nfs/dbraw/zinc/67/05/08/823670508.db2.gz RGAADTHYWPKJJR-UHFFFAOYSA-N 1 0 379.595 4.409 20 0 GIADRO C[C@H](CCNC(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1)[N@H+](C)Cc1ccccc1 ZINC000125360095 823670513 /nfs/dbraw/zinc/67/05/13/823670513.db2.gz VXIUCAQPOCVHDV-PTUXOGIPSA-N 1 0 395.547 4.117 20 0 GIADRO CC[C@@H](c1ccc(F)cc1)[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191317955 823670929 /nfs/dbraw/zinc/67/09/29/823670929.db2.gz XRBQXDBLGFAEMM-AWEZNQCLSA-N 1 0 388.434 4.359 20 0 GIADRO CCCN(CCC[NH+](C)C)C(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000191332270 823672907 /nfs/dbraw/zinc/67/29/07/823672907.db2.gz CSIPVXIATUSTLJ-UHFFFAOYSA-N 1 0 382.508 4.135 20 0 GIADRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1ccc(C)c(NC(=O)Nc2ccccc2)c1 ZINC000461641942 823674134 /nfs/dbraw/zinc/67/41/34/823674134.db2.gz PFGBSYPYMFPDHM-SFHVURJKSA-N 1 0 396.535 4.489 20 0 GIADRO Cc1cccc(C[N@@H+](Cc2ccccn2)C[C@H](O)COCc2ccccc2F)c1 ZINC000125412947 823674214 /nfs/dbraw/zinc/67/42/14/823674214.db2.gz MGXGEFRQMQKECM-QHCPKHFHSA-N 1 0 394.490 4.109 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)c1cnn(C(C)C)c1C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000191344052 823674215 /nfs/dbraw/zinc/67/42/15/823674215.db2.gz LANFUIALHPNOAY-OFAXGOBFSA-N 1 0 384.568 4.103 20 0 GIADRO COc1ccc(C[N@H+](C[C@@H](O)COc2cccc(C(F)(F)F)c2)C2CC2)cc1 ZINC000063483071 823675354 /nfs/dbraw/zinc/67/53/54/823675354.db2.gz WHTZRUKKFXAVAY-GOSISDBHSA-N 1 0 395.421 4.118 20 0 GIADRO C[C@@H]([NH2+]CCCOc1ccc2ccccc2c1)c1ccc(S(C)(=O)=O)cc1 ZINC000125428438 823675481 /nfs/dbraw/zinc/67/54/81/823675481.db2.gz PVROIIYKFIBPOT-QGZVFWFLSA-N 1 0 383.513 4.363 20 0 GIADRO O=C1C[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc(Oc3ccccc3F)c(F)c2)CN1 ZINC000125430677 823675680 /nfs/dbraw/zinc/67/56/80/823675680.db2.gz NSADIPUTDUQMAU-APWZRJJASA-N 1 0 386.442 4.248 20 0 GIADRO CC(C)(C)OC(=O)NC(C)(C)c1noc(C[N@H+](C2CC2)C2CCCCC2)n1 ZINC000063497960 823676267 /nfs/dbraw/zinc/67/62/67/823676267.db2.gz LEJSEYZXRRMRQL-UHFFFAOYSA-N 1 0 378.517 4.127 20 0 GIADRO CCN(Cc1nc(Cc2ccccc2)no1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000063510794 823677107 /nfs/dbraw/zinc/67/71/07/823677107.db2.gz WYFGPHWBZBELRF-SIKLNZKXSA-N 1 0 390.531 4.318 20 0 GIADRO C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000461664313 823677339 /nfs/dbraw/zinc/67/73/39/823677339.db2.gz LBNHHPFONKSTBL-DNGCBJQESA-N 1 0 393.531 4.203 20 0 GIADRO C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000461664315 823677347 /nfs/dbraw/zinc/67/73/47/823677347.db2.gz LBNHHPFONKSTBL-DSXMGRQXSA-N 1 0 393.531 4.203 20 0 GIADRO CCCCOc1ccc(C[NH2+]CC2(c3ccc4c(c3)OCO4)CCOCC2)cc1 ZINC000063551427 823679095 /nfs/dbraw/zinc/67/90/95/823679095.db2.gz AAGASTNMHJQTSS-UHFFFAOYSA-N 1 0 397.515 4.432 20 0 GIADRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+]Cc3ccc4ccccc4c3)cc2)C[C@H](C)O1 ZINC000063561471 823679567 /nfs/dbraw/zinc/67/95/67/823679567.db2.gz VHOCIJLTHCYJOT-KDURUIRLSA-N 1 0 388.511 4.379 20 0 GIADRO CCCOc1cccc(C[NH2+]C[C@H](O)COc2cccc(Cl)c2Cl)c1 ZINC000063565854 823679704 /nfs/dbraw/zinc/67/97/04/823679704.db2.gz GQEDJUMINCRKGD-HNNXBMFYSA-N 1 0 384.303 4.312 20 0 GIADRO COc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(OC2CCCCC2)CC1 ZINC000125482309 823679769 /nfs/dbraw/zinc/67/97/69/823679769.db2.gz HCJXMQQBPKXADR-ROUUACIJSA-N 1 0 388.552 4.075 20 0 GIADRO C[C@H](NC(=O)CCSc1ccc(Br)cc1)C(C)(C)C[NH+](C)C ZINC000461686989 823681266 /nfs/dbraw/zinc/68/12/66/823681266.db2.gz NPNOFTANNYADGL-ZDUSSCGKSA-N 1 0 387.387 4.024 20 0 GIADRO Cc1nn(-c2ccccc2)c2sc(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc12 ZINC000461691453 823682255 /nfs/dbraw/zinc/68/22/55/823682255.db2.gz BDVQTHYRVUZHIK-OAHLLOKOSA-N 1 0 384.549 4.102 20 0 GIADRO C[C@H](Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)c1csc(Cl)c1 ZINC000191424665 823683900 /nfs/dbraw/zinc/68/39/00/823683900.db2.gz KPRYXGXLYILNQY-ZDUSSCGKSA-N 1 0 377.941 4.272 20 0 GIADRO O[C@H](C[N@H+](Cc1ccc(Br)o1)Cc1ccccc1)c1ccco1 ZINC000191432699 823684742 /nfs/dbraw/zinc/68/47/42/823684742.db2.gz UEABCXHGYZUFIJ-MRXNPFEDSA-N 1 0 376.250 4.371 20 0 GIADRO COC(=O)[C@H](C)c1ccc(NC(=O)c2oc3ccccc3c2C[NH+](C)C)cc1 ZINC000412818040 823685403 /nfs/dbraw/zinc/68/54/03/823685403.db2.gz SRNVDBRFNLPXJS-CQSZACIVSA-N 1 0 380.444 4.023 20 0 GIADRO CCN(C(=O)NC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)[C@@H](C)c1cccnc1 ZINC000125573469 823686444 /nfs/dbraw/zinc/68/64/44/823686444.db2.gz PAPRRFXKLPTPOK-ZJOUEHCJSA-N 1 0 380.536 4.085 20 0 GIADRO Cc1ccc(OCc2nc(C[NH2+]C[C@@H](c3cccs3)N(C)C)cs2)cc1 ZINC000125577377 823686801 /nfs/dbraw/zinc/68/68/01/823686801.db2.gz CSDZWYPFUBDWGJ-SFHVURJKSA-N 1 0 387.574 4.485 20 0 GIADRO COc1ccc(CC[NH2+]Cc2csc(COc3ccc(C)cc3)n2)cc1OC ZINC000125580421 823687154 /nfs/dbraw/zinc/68/71/54/823687154.db2.gz QVYHNBRRHJYPRQ-UHFFFAOYSA-N 1 0 398.528 4.380 20 0 GIADRO CC(C)N(C)c1ccc(C[NH2+][C@H](C)[C@H](OC2CCOCC2)c2ccccc2)cn1 ZINC000191456442 823687455 /nfs/dbraw/zinc/68/74/55/823687455.db2.gz YTQMDLXYVFXSRQ-DVECYGJZSA-N 1 0 397.563 4.341 20 0 GIADRO COc1ccc([C@H]([NH2+]CCC2OCCO2)c2ccc(C(F)(F)F)cc2)cc1 ZINC000125593853 823688343 /nfs/dbraw/zinc/68/83/43/823688343.db2.gz GPJNUMOFECFBCS-LJQANCHMSA-N 1 0 381.394 4.156 20 0 GIADRO CCN(CCC[NH+](C)C)C(=O)Nc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1 ZINC000191470719 823688600 /nfs/dbraw/zinc/68/86/00/823688600.db2.gz LEWGHAZDGOZVQP-INIZCTEOSA-N 1 0 392.544 4.078 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(OC)c(OC(F)F)c1)CCCO2 ZINC000125597165 823688725 /nfs/dbraw/zinc/68/87/25/823688725.db2.gz PMJRBBPFXIRGHS-MRXNPFEDSA-N 1 0 379.403 4.309 20 0 GIADRO CCCc1noc(CCCC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)n1 ZINC000063679166 823688985 /nfs/dbraw/zinc/68/89/85/823688985.db2.gz RJXMZNBLQUEQNL-UHFFFAOYSA-N 1 0 398.551 4.037 20 0 GIADRO O=C(CSCc1ccncc1)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000063679163 823689005 /nfs/dbraw/zinc/68/90/05/823689005.db2.gz ATDCPOKCJUCPRC-UHFFFAOYSA-N 1 0 383.561 4.007 20 0 GIADRO COc1ccc(OCCC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000063680077 823689010 /nfs/dbraw/zinc/68/90/10/823689010.db2.gz LLXNSQXFMLGPAB-UHFFFAOYSA-N 1 0 396.531 4.157 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1csc(-c2ccccc2F)n1 ZINC000063685284 823689290 /nfs/dbraw/zinc/68/92/90/823689290.db2.gz PFYXYQRYZHIVAY-UHFFFAOYSA-N 1 0 395.503 4.475 20 0 GIADRO CCCn1ccnc1CCC[N@H+](C)[C@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC000191482586 823689820 /nfs/dbraw/zinc/68/98/20/823689820.db2.gz IPHNJAATMCSLKC-GOSISDBHSA-N 1 0 378.520 4.338 20 0 GIADRO CCCn1c(C)c(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)c2cc(OC)ccc21 ZINC000063694309 823689962 /nfs/dbraw/zinc/68/99/62/823689962.db2.gz NASNBQDKNJOCNM-GOSISDBHSA-N 1 0 385.552 4.219 20 0 GIADRO O[C@@H](C[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1)c1ccccc1 ZINC000191486534 823690204 /nfs/dbraw/zinc/69/02/04/823690204.db2.gz IVFCRWSEZHEYTM-VQTJNVASSA-N 1 0 390.321 4.240 20 0 GIADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)CSc2cc(Cl)ccc2Cl)C1 ZINC000063710406 823690288 /nfs/dbraw/zinc/69/02/88/823690288.db2.gz OVUFUZZGXXNKBH-CYBMUJFWSA-N 1 0 375.365 4.322 20 0 GIADRO CCCN(CCC[NH+](C)C)C(=O)Nc1ccc(C)cc1-c1nc(C2CC2)no1 ZINC000191488417 823690363 /nfs/dbraw/zinc/69/03/63/823690363.db2.gz KYXKAFCFFCKQFU-UHFFFAOYSA-N 1 0 385.512 4.118 20 0 GIADRO CCCn1ccnc1CCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000191491375 823690602 /nfs/dbraw/zinc/69/06/02/823690602.db2.gz LTJOGTKMZBVNRT-CQSZACIVSA-N 1 0 397.350 4.492 20 0 GIADRO CCCn1ccnc1CCC[N@H+](C)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000191492017 823690745 /nfs/dbraw/zinc/69/07/45/823690745.db2.gz AXHBPTJCXBRAQY-UHFFFAOYSA-N 1 0 380.323 4.312 20 0 GIADRO CC(C)(C)[N@@H+]1CCCN(C(=O)CCCOc2ccc(Cl)cc2Cl)CC1 ZINC000063725826 823691966 /nfs/dbraw/zinc/69/19/66/823691966.db2.gz JGEDWYACOJGVGT-UHFFFAOYSA-N 1 0 387.351 4.485 20 0 GIADRO COc1cc(C[NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)ccn1 ZINC000191492850 823690984 /nfs/dbraw/zinc/69/09/84/823690984.db2.gz CRGXNTQMQLSUMB-IBGZPJMESA-N 1 0 391.309 4.110 20 0 GIADRO CCCn1ccnc1CCC[N@H+](C)Cc1csc(-c2ccccc2OC)n1 ZINC000191494975 823691210 /nfs/dbraw/zinc/69/12/10/823691210.db2.gz IQNFKCBWYIZPAN-UHFFFAOYSA-N 1 0 384.549 4.490 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+][C@@H](CN1CCCC1=O)c1ccccc1)CCS2 ZINC000191496945 823691594 /nfs/dbraw/zinc/69/15/94/823691594.db2.gz FFGAPPQMHWOJFU-UXHICEINSA-N 1 0 382.529 4.185 20 0 GIADRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2ccccc2OCc2ccc(F)cc2)CC1 ZINC000063723964 823691779 /nfs/dbraw/zinc/69/17/79/823691779.db2.gz BSNKQBRBVWPJDN-UHFFFAOYSA-N 1 0 384.495 4.351 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1sc(C(F)(F)F)nc1C ZINC000461751821 823691919 /nfs/dbraw/zinc/69/19/19/823691919.db2.gz CVBUNBDTPGQJPP-UHFFFAOYSA-N 1 0 385.455 4.242 20 0 GIADRO CCOc1ccc(-c2nc(C(=O)N3CCC[N@@H+](C(C)(C)C)CC3)cs2)cc1 ZINC000063724252 823691970 /nfs/dbraw/zinc/69/19/70/823691970.db2.gz QOCGRAIKALKTCC-UHFFFAOYSA-N 1 0 387.549 4.155 20 0 GIADRO c1cc(N2CCCCC2)ccc1-c1noc([C@@H]2CCC[N@@H+]2C2CCOCC2)n1 ZINC000125640198 823692644 /nfs/dbraw/zinc/69/26/44/823692644.db2.gz NQJDHCGLWAVCMB-FQEVSTJZSA-N 1 0 382.508 4.043 20 0 GIADRO Brc1cccc([C@H]([NH2+]CCOC2CCCC2)C2CCOCC2)c1 ZINC000191504842 823692646 /nfs/dbraw/zinc/69/26/46/823692646.db2.gz GYIYMWGEICVTAW-LJQANCHMSA-N 1 0 382.342 4.466 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCN(Cc3ccccn3)C[C@H]1C)CCS2 ZINC000191515608 823694223 /nfs/dbraw/zinc/69/42/23/823694223.db2.gz QJFNNYDWJCWIAN-TYCQWZJGSA-N 1 0 383.561 4.127 20 0 GIADRO CCCn1ccnc1CCC[N@H+](C)[C@H](C)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000191518448 823694574 /nfs/dbraw/zinc/69/45/74/823694574.db2.gz WKJJFYBYYNWHKL-ZWKOTPCHSA-N 1 0 396.535 4.170 20 0 GIADRO CCCCOc1ccc(C(=O)N(C)CC[N@H+](C)C2CCCCC2)cc1OC ZINC000063772045 823694744 /nfs/dbraw/zinc/69/47/44/823694744.db2.gz DSHNSAYJKIBOKD-UHFFFAOYSA-N 1 0 376.541 4.211 20 0 GIADRO CCCn1ccnc1CCC[N@H+](C)CC(=O)Nc1c(C)cc(C)cc1Cl ZINC000191522201 823694929 /nfs/dbraw/zinc/69/49/29/823694929.db2.gz XOPIKYKAIJWKNL-UHFFFAOYSA-N 1 0 376.932 4.066 20 0 GIADRO COc1ccc(CC[NH2+]Cc2c(C)nn(-c3ccccc3)c2Cl)c(OC)c1 ZINC000063776369 823695090 /nfs/dbraw/zinc/69/50/90/823695090.db2.gz FTQVTRALSZDSFG-UHFFFAOYSA-N 1 0 385.895 4.184 20 0 GIADRO CCCN(C(=O)c1cccs1)C1CC[NH+](CCc2csc(C)n2)CC1 ZINC000125670650 823695318 /nfs/dbraw/zinc/69/53/18/823695318.db2.gz KBRBLOFZHTXVPO-UHFFFAOYSA-N 1 0 377.579 4.072 20 0 GIADRO CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000461790071 823695641 /nfs/dbraw/zinc/69/56/41/823695641.db2.gz GUPKHOHPHYTCPE-PKOBYXMFSA-N 1 0 399.539 4.094 20 0 GIADRO CCC[C@@H](CC)[NH2+][C@H](c1ccc(OC)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000125676676 823695826 /nfs/dbraw/zinc/69/58/26/823695826.db2.gz RBYBBCZLUGWION-WIYYLYMNSA-N 1 0 375.534 4.356 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)NCC(C)(C)c1ccc(OC)cc1 ZINC000063786471 823695885 /nfs/dbraw/zinc/69/58/85/823695885.db2.gz MUHQGLCMKRIQJA-UHFFFAOYSA-N 1 0 397.563 4.314 20 0 GIADRO Cn1c(SCc2cccc(C[NH+]3CCCCC3)c2)nnc1-c1ccncc1 ZINC000412973937 823695960 /nfs/dbraw/zinc/69/59/60/823695960.db2.gz BPHKPBTWSNXUFA-UHFFFAOYSA-N 1 0 379.533 4.155 20 0 GIADRO COc1cc(C)ccc1Oc1ccc(NC(=S)NCCC[NH+](C)C)cc1F ZINC000063793250 823696990 /nfs/dbraw/zinc/69/69/90/823696990.db2.gz JOLLPIORTJSSNB-UHFFFAOYSA-N 1 0 391.512 4.173 20 0 GIADRO CCCC[N@H+](C)C[C@H](C)NC(=O)N(Cc1cccnc1)Cc1ccccc1C ZINC000461798334 823697028 /nfs/dbraw/zinc/69/70/28/823697028.db2.gz BIGIQBBHYFEUIB-FQEVSTJZSA-N 1 0 382.552 4.222 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCCN(Cc3ccccc3)C1=O)CCS2 ZINC000191538995 823697581 /nfs/dbraw/zinc/69/75/81/823697581.db2.gz XOKYHZZTFCHMQK-UXHICEINSA-N 1 0 382.529 4.013 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+][C@@H](CC(C)C)C(=O)Nc1nccs1)CCS2 ZINC000191539967 823697728 /nfs/dbraw/zinc/69/77/28/823697728.db2.gz CRDHMFMHVKQYRC-CVEARBPZSA-N 1 0 391.562 4.332 20 0 GIADRO CC(C)c1nnc(S[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1Cc1ccco1 ZINC000412984920 823697707 /nfs/dbraw/zinc/69/77/07/823697707.db2.gz DISAZZVFTYHDEL-LJQANCHMSA-N 1 0 382.533 4.409 20 0 GIADRO Cc1cccc(C[NH2+][C@H](C)c2cccc(N3CCOCC3)c2)c1Br ZINC000191540491 823697762 /nfs/dbraw/zinc/69/77/62/823697762.db2.gz IQBIELPZWYDZBV-MRXNPFEDSA-N 1 0 389.337 4.445 20 0 GIADRO COCCN1CCC([NH2+][C@@H](C)c2ccc(OCc3ccccc3)c(OC)c2)CC1 ZINC000461804863 823697805 /nfs/dbraw/zinc/69/78/05/823697805.db2.gz ZJSFNQWNWRLEDO-IBGZPJMESA-N 1 0 398.547 4.036 20 0 GIADRO COc1ccc(CCNC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000063799581 823697967 /nfs/dbraw/zinc/69/79/67/823697967.db2.gz VSGHZOJGJAEPKS-UHFFFAOYSA-N 1 0 395.547 4.113 20 0 GIADRO CO[C@@H](CNC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)c1ccccc1 ZINC000063799258 823697981 /nfs/dbraw/zinc/69/79/81/823697981.db2.gz YRXLFVGINYQJRS-QHCPKHFHSA-N 1 0 395.547 4.250 20 0 GIADRO Brc1cccc([C@H]([NH2+]CC[C@H]2CCCCO2)C2CCOCC2)c1 ZINC000191547102 823698236 /nfs/dbraw/zinc/69/82/36/823698236.db2.gz STWCEJGBKSLETB-RTBURBONSA-N 1 0 382.342 4.466 20 0 GIADRO OCCOC1CC[NH+](Cc2ccccc2Oc2ccc(F)cc2Cl)CC1 ZINC000461807496 823698508 /nfs/dbraw/zinc/69/85/08/823698508.db2.gz FTUSSTDXCJHTFT-UHFFFAOYSA-N 1 0 379.859 4.245 20 0 GIADRO CS(=O)(=O)c1ccc(SCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000412992183 823698652 /nfs/dbraw/zinc/69/86/52/823698652.db2.gz LSQHKPGBQXFSIP-UHFFFAOYSA-N 1 0 375.559 4.368 20 0 GIADRO CC[C@H](c1nnc(SCCCN2CC[NH+](C(C)C)CC2)o1)c1ccccc1 ZINC000412993195 823698757 /nfs/dbraw/zinc/69/87/57/823698757.db2.gz MUQLFHWRGKONKD-IBGZPJMESA-N 1 0 388.581 4.120 20 0 GIADRO CCOC(=O)c1csc(CC[NH2+][C@@H](C)c2ccc(OC(C)(C)C)cc2)n1 ZINC000191555246 823699055 /nfs/dbraw/zinc/69/90/55/823699055.db2.gz MZOBMRLIHUNCSF-AWEZNQCLSA-N 1 0 376.522 4.390 20 0 GIADRO CCOC(=O)c1csc(CC[NH2+][C@H](C)c2ccc(OC(C)(C)C)cc2)n1 ZINC000191555258 823699109 /nfs/dbraw/zinc/69/91/09/823699109.db2.gz MZOBMRLIHUNCSF-CQSZACIVSA-N 1 0 376.522 4.390 20 0 GIADRO C[NH+](C)CCOc1ccccc1C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 ZINC000063821320 823699505 /nfs/dbraw/zinc/69/95/05/823699505.db2.gz NKQYSNDTJBLLOO-UHFFFAOYSA-N 1 0 395.434 4.206 20 0 GIADRO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000125715907 823699593 /nfs/dbraw/zinc/69/95/93/823699593.db2.gz RJKXMNOOLNIDNK-LJQANCHMSA-N 1 0 398.522 4.069 20 0 GIADRO CC[NH+](CC)CCN(CC(C)C)C(=O)c1csc(-c2ccccc2F)n1 ZINC000063826356 823699899 /nfs/dbraw/zinc/69/98/99/823699899.db2.gz HWFNTZFFRYHRLH-UHFFFAOYSA-N 1 0 377.529 4.389 20 0 GIADRO CCOC(=O)c1csc(CC[NH2+][C@@H](C)c2cccc(-c3ccncc3)c2)n1 ZINC000191565705 823700779 /nfs/dbraw/zinc/70/07/79/823700779.db2.gz NCXOFHPQJTWOCQ-HNNXBMFYSA-N 1 0 381.501 4.275 20 0 GIADRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2SCc2csc(C)n2)C1 ZINC000063852756 823702360 /nfs/dbraw/zinc/70/23/60/823702360.db2.gz LOSNJOOUCSDJPZ-INIZCTEOSA-N 1 0 389.590 4.206 20 0 GIADRO O=C(C1CC1)N1CCC([NH2+][C@H](CCc2ccccc2)Cc2ccccc2)CC1 ZINC000461821293 823702541 /nfs/dbraw/zinc/70/25/41/823702541.db2.gz VHBAFNPISYACJF-XMMPIXPASA-N 1 0 376.544 4.221 20 0 GIADRO Cc1cccc(-c2nc(CC(=O)NC[C@H]3CCC[N@@H+](CC(C)C)C3)cs2)c1 ZINC000163337292 823702586 /nfs/dbraw/zinc/70/25/86/823702586.db2.gz RFYILYJVEDBJOM-GOSISDBHSA-N 1 0 385.577 4.145 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)N2CCSC3(CCC3)CC2)cc1 ZINC000413067440 823703028 /nfs/dbraw/zinc/70/30/28/823703028.db2.gz CFVINYVEGWTKJU-UHFFFAOYSA-N 1 0 375.582 4.100 20 0 GIADRO C[C@](Cc1ccccc1)(NC(=O)NC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000413066615 823703078 /nfs/dbraw/zinc/70/30/78/823703078.db2.gz FWDDFKRAMKRLKI-XMMPIXPASA-N 1 0 377.532 4.071 20 0 GIADRO CC(C)[C@@H]1N(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC12CCOCC2 ZINC000413072666 823703421 /nfs/dbraw/zinc/70/34/21/823703421.db2.gz HJWGQDWTQZWNLQ-QFIPXVFZSA-N 1 0 399.579 4.019 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2OC)cc1 ZINC000163357976 823703840 /nfs/dbraw/zinc/70/38/40/823703840.db2.gz HNZBZXMPYJYVHH-ZIAGYGMSSA-N 1 0 380.485 4.008 20 0 GIADRO CCCN(C(=O)Cc1csc(-c2ccc(Cl)s2)n1)C1CC[NH2+]CC1 ZINC000163359938 823704075 /nfs/dbraw/zinc/70/40/75/823704075.db2.gz UZOYSMKNXYFEIJ-UHFFFAOYSA-N 1 0 383.970 4.058 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCN(c2cccc(Cl)c2)C1)c1ccc(N2CCOC2=O)cc1 ZINC000163362828 823704399 /nfs/dbraw/zinc/70/43/99/823704399.db2.gz BBJGVWIGIVILLC-QAPCUYQASA-N 1 0 385.895 4.226 20 0 GIADRO Cc1onc(-c2ccncc2)c1C(=O)Nc1cc(C[NH+]2CCCC2)ccc1C ZINC000163387330 823705718 /nfs/dbraw/zinc/70/57/18/823705718.db2.gz OOISUJUVHRPWEH-UHFFFAOYSA-N 1 0 376.460 4.202 20 0 GIADRO COc1cccc(C[N@H+](Cc2nc3ccc(F)cc3o2)C2CCC(O)CC2)c1 ZINC000163390932 823705876 /nfs/dbraw/zinc/70/58/76/823705876.db2.gz CBOBEENTAAUODU-UHFFFAOYSA-N 1 0 384.451 4.281 20 0 GIADRO C[N@H+](CCCNC(=O)N1CC2(CCOCC2)[C@H]1c1ccccc1)C1CCCCC1 ZINC000413094603 823706158 /nfs/dbraw/zinc/70/61/58/823706158.db2.gz BGKDVXMLXUIHAG-JOCHJYFZSA-N 1 0 399.579 4.204 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccnc(Cl)c1 ZINC000163404253 823706780 /nfs/dbraw/zinc/70/67/80/823706780.db2.gz HGZOPEJJHUAVER-ZDUSSCGKSA-N 1 0 399.844 4.441 20 0 GIADRO CC1CC[NH+](CCCCNC(=O)N2CC3(CCOCC3)[C@@H]2c2ccccc2)CC1 ZINC000413103160 823707493 /nfs/dbraw/zinc/70/74/93/823707493.db2.gz FTYVGLHGEMCSHU-QFIPXVFZSA-N 1 0 399.579 4.062 20 0 GIADRO C[C@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000163427841 823708494 /nfs/dbraw/zinc/70/84/94/823708494.db2.gz FBQDVOMTKNIQIH-OCCSQVGLSA-N 1 0 381.307 4.275 20 0 GIADRO Cc1c(NC(=O)NCCC[NH2+]C2CCCCC2)cnn1-c1ccc(Cl)cc1 ZINC000574362313 823708832 /nfs/dbraw/zinc/70/88/32/823708832.db2.gz HXVIBBLICCQDFU-UHFFFAOYSA-N 1 0 389.931 4.268 20 0 GIADRO COC[C@H]([NH2+]C1CCN(C(=O)CC(C)C)CC1)c1cccc(C(F)(F)F)c1 ZINC000163438958 823709347 /nfs/dbraw/zinc/70/93/47/823709347.db2.gz IMHDAUXESASEAP-SFHVURJKSA-N 1 0 386.458 4.020 20 0 GIADRO CC(C)[C@@H]([NH2+][C@@H]1CCCc2ccc(S(N)(=O)=O)cc21)c1ccc(Cl)cc1 ZINC000574369903 823710903 /nfs/dbraw/zinc/71/09/03/823710903.db2.gz SSBGUGXQDKYVET-WOJBJXKFSA-N 1 0 392.952 4.352 20 0 GIADRO O=C(N[C@H](c1ccccc1)C1CCC1)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000163456243 823711275 /nfs/dbraw/zinc/71/12/75/823711275.db2.gz VUZMILNZCYHURA-XMMPIXPASA-N 1 0 392.543 4.162 20 0 GIADRO O[C@@H](COc1c(Cl)cccc1Cl)C[NH+]1CCC(c2ccncc2)CC1 ZINC000191611493 823712077 /nfs/dbraw/zinc/71/20/77/823712077.db2.gz RFKVMSJJZGPBFO-MRXNPFEDSA-N 1 0 381.303 4.008 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)COCc1ccc(Cl)cc1)c1ccc(OC(F)F)cc1 ZINC000125800507 823713773 /nfs/dbraw/zinc/71/37/73/823713773.db2.gz OJGRZXQBYHMIAW-GUYCJALGSA-N 1 0 385.838 4.170 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1ccc(C2CC2)cc1 ZINC000191621150 823716362 /nfs/dbraw/zinc/71/63/62/823716362.db2.gz UXAYQCNWRNYLJI-NRFANRHFSA-N 1 0 377.532 4.228 20 0 GIADRO C[C@@H]1C[C@H](CNC(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)[C@H](C)O1 ZINC000413157962 823717964 /nfs/dbraw/zinc/71/79/64/823717964.db2.gz USYYDGOILFAMIR-LVCYWYKZSA-N 1 0 387.568 4.064 20 0 GIADRO COc1cc(O)c(C[NH2+][C@@H](C)c2ccc(Br)cc2OC)cc1OC ZINC000191627173 823718127 /nfs/dbraw/zinc/71/81/27/823718127.db2.gz BFMDJSPVYUTOSW-NSHDSACASA-N 1 0 396.281 4.031 20 0 GIADRO C[C@@H]1C[C@H]([NH2+][C@@H](CO)c2ccc(Br)cc2C(F)(F)F)C[C@H](C)O1 ZINC000574395242 823718551 /nfs/dbraw/zinc/71/85/51/823718551.db2.gz GQIAWQINBUZBII-MAWWSGROSA-N 1 0 396.247 4.047 20 0 GIADRO COc1ccccc1-c1nc(C2CC[NH+](Cc3sc(C)nc3C)CC2)no1 ZINC000191631674 823719006 /nfs/dbraw/zinc/71/90/06/823719006.db2.gz GEXLLCLMTBUGOP-UHFFFAOYSA-N 1 0 384.505 4.198 20 0 GIADRO [NH3+][C@@H]1CN(C(=O)CCCCc2nc3ccccc3s2)C[C@H]1c1ccccc1F ZINC000574398624 823719645 /nfs/dbraw/zinc/71/96/45/823719645.db2.gz HPKDHYRAKGRAKT-FUHWJXTLSA-N 1 0 397.519 4.102 20 0 GIADRO C[C@H](C(=O)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000574398155 823719685 /nfs/dbraw/zinc/71/96/85/823719685.db2.gz QNMUGMTUYFPYJI-QMIHWGKISA-N 1 0 394.412 4.439 20 0 GIADRO COc1ccc(C[NH+]2CCC(c3ccncc3)CC2)c(Br)c1OC ZINC000191634016 823719943 /nfs/dbraw/zinc/71/99/43/823719943.db2.gz XAQPKNHRCLLWJC-UHFFFAOYSA-N 1 0 391.309 4.241 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+][C@H]2CCc3c2cccc3Cl)cc1 ZINC000163551928 823720485 /nfs/dbraw/zinc/72/04/85/823720485.db2.gz KUJYRRBLLCEDDM-YJYMSZOUSA-N 1 0 378.925 4.440 20 0 GIADRO C[N@H+](CC1CC1)C[C@@H]1CCN(c2nc(C(F)F)nc3ccc(Cl)cc32)C1 ZINC000413183981 823723473 /nfs/dbraw/zinc/72/34/73/823723473.db2.gz MTHKOXRBYTZXFF-ZDUSSCGKSA-N 1 0 380.870 4.389 20 0 GIADRO O=C(c1ccccc1)N1CCC([NH2+]Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000191658630 823725547 /nfs/dbraw/zinc/72/55/47/823725547.db2.gz FLHUBSUZEIOYLA-UHFFFAOYSA-N 1 0 395.503 4.344 20 0 GIADRO NC(=O)CC[C@H]1CCC[N@H+](Cc2ccc(-c3ccc(Br)cc3)o2)C1 ZINC000574424953 823726196 /nfs/dbraw/zinc/72/61/96/823726196.db2.gz NWRYUNHULVLAKU-CQSZACIVSA-N 1 0 391.309 4.187 20 0 GIADRO Cc1cc(=O)n2nc(C[N@H+]3CCCC[C@@H]3c3ccc(C(C)C)cc3)sc2n1 ZINC000125847996 823727753 /nfs/dbraw/zinc/72/77/53/823727753.db2.gz CKCWMRPTURGNSS-GOSISDBHSA-N 1 0 382.533 4.310 20 0 GIADRO CC(C)[C@@](C)([NH2+]Cc1cccc(C(N)=O)c1)c1ccc(Br)cc1 ZINC000191667169 823727945 /nfs/dbraw/zinc/72/79/45/823727945.db2.gz BJHGSFHFMFOLLU-LJQANCHMSA-N 1 0 375.310 4.209 20 0 GIADRO CC[C@H]([NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1)c1ccncc1 ZINC000163626576 823729374 /nfs/dbraw/zinc/72/93/74/823729374.db2.gz SMJLMUTXCSOIBV-DYVFJYSZSA-N 1 0 376.298 4.302 20 0 GIADRO CC[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)CC(F)(F)F ZINC000413212746 823729365 /nfs/dbraw/zinc/72/93/65/823729365.db2.gz ZELMXSGHANFGKW-GJZGRUSLSA-N 1 0 391.503 4.238 20 0 GIADRO COc1ccc(-c2nc(C[N@@H+]3CCCN4c5ccccc5C[C@H]4C3)cs2)cc1 ZINC000574439260 823729951 /nfs/dbraw/zinc/72/99/51/823729951.db2.gz MRDFMRYMNADGFB-FQEVSTJZSA-N 1 0 391.540 4.456 20 0 GIADRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@H](C)[C@H](C)NC(=O)OC(C)(C)C ZINC000191678463 823730474 /nfs/dbraw/zinc/73/04/74/823730474.db2.gz STXISCFEPPGYIA-SJORKVTESA-N 1 0 389.540 4.079 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000191679197 823730618 /nfs/dbraw/zinc/73/06/18/823730618.db2.gz GKEGCUDZZCEVDF-UHFFFAOYSA-N 1 0 380.467 4.067 20 0 GIADRO [NH3+][C@H]1CCO[C@H](C2CCN(C(=O)CC3(CCc4ccccc4)CCCC3)CC2)C1 ZINC000574441736 823731267 /nfs/dbraw/zinc/73/12/67/823731267.db2.gz BGDGFTHSJUAYAP-GOTSBHOMSA-N 1 0 398.591 4.315 20 0 GIADRO CC(C)(C)OCc1cccc(CNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000125859613 823731262 /nfs/dbraw/zinc/73/12/62/823731262.db2.gz YQHGSOAWTZVUBR-IRLDBZIGSA-N 1 0 399.579 4.160 20 0 GIADRO CC[NH+](CC)[C@H](C)CNC(=O)c1c(C)onc1-c1ccc(C(F)(F)F)cc1 ZINC000191685901 823733373 /nfs/dbraw/zinc/73/33/73/823733373.db2.gz GRQJPUJWYGGTDB-GFCCVEGCSA-N 1 0 383.414 4.129 20 0 GIADRO CCOCCOCc1cccc(NC(=O)c2cccc(C[NH+]3CCCC3)c2)c1 ZINC000064026699 823735956 /nfs/dbraw/zinc/73/59/56/823735956.db2.gz SYYZDYPIUNSNMX-UHFFFAOYSA-N 1 0 382.504 4.088 20 0 GIADRO Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC000461880241 823736098 /nfs/dbraw/zinc/73/60/98/823736098.db2.gz FKQSWQBAVGXWKA-ROUUACIJSA-N 1 0 399.579 4.172 20 0 GIADRO O=C(NCc1cc(F)cc(Br)c1)c1cccc(C[NH+]2CCCC2)c1 ZINC000064027301 823736924 /nfs/dbraw/zinc/73/69/24/823736924.db2.gz OCPITURFNNFFSM-UHFFFAOYSA-N 1 0 391.284 4.114 20 0 GIADRO Cn1cc(-c2ccc3c(c2)C(C)(C)CN3CC2C[NH+](Cc3cccs3)C2)cn1 ZINC000574466795 823737384 /nfs/dbraw/zinc/73/73/84/823737384.db2.gz RCDMRDUIVRDZSD-UHFFFAOYSA-N 1 0 392.572 4.378 20 0 GIADRO COCOc1ccc(OC)cc1CNCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000163691434 823737963 /nfs/dbraw/zinc/73/79/63/823737963.db2.gz RMUQJBVHGBMAJC-UHFFFAOYSA-N 1 0 398.547 4.200 20 0 GIADRO C[N@H+](CCNC(=O)c1ccc(N2CCc3ccccc3C2)cc1)Cc1ccccc1 ZINC000064040121 823739912 /nfs/dbraw/zinc/73/99/12/823739912.db2.gz LSUUBUKZUPHIHF-UHFFFAOYSA-N 1 0 399.538 4.111 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@@H](CN2CCOCC2)c2ccccc2)ccc1SC ZINC000163724663 823742120 /nfs/dbraw/zinc/74/21/20/823742120.db2.gz XQPQBQDSQLZFEO-PXNSSMCTSA-N 1 0 386.561 4.141 20 0 GIADRO CC(C)[C@H]1N(C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)CC12CCOCC2 ZINC000413273319 823743296 /nfs/dbraw/zinc/74/32/96/823743296.db2.gz BKKRXMRVLIIPHF-DENIHFKCSA-N 1 0 399.579 4.059 20 0 GIADRO CNC(=O)[C@H](CC(C)C)[NH2+][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000163745131 823744422 /nfs/dbraw/zinc/74/44/22/823744422.db2.gz ZHGISECOCWOWRP-WBVHZDCISA-N 1 0 375.513 4.077 20 0 GIADRO C[C@H](O)[C@@](C)(C[NH2+]Cc1cccc(OCc2ccccn2)c1)Cc1ccccc1 ZINC000191721312 823746616 /nfs/dbraw/zinc/74/66/16/823746616.db2.gz ZIYIDESLZORVIB-NBGIEHNGSA-N 1 0 390.527 4.380 20 0 GIADRO CCN(CCC[NH+](C)C)C(=O)Nc1ccc(OC)cc1OCc1ccccc1 ZINC000191724306 823747748 /nfs/dbraw/zinc/74/77/48/823747748.db2.gz HMMOFUWSCMZEBH-UHFFFAOYSA-N 1 0 385.508 4.080 20 0 GIADRO CC[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccncc1 ZINC000163778525 823748062 /nfs/dbraw/zinc/74/80/62/823748062.db2.gz ZGDPNUDDEXPEOX-SUMWQHHRSA-N 1 0 381.398 4.438 20 0 GIADRO C[C@H](C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)c1cccc(Br)c1 ZINC000461910398 823750315 /nfs/dbraw/zinc/75/03/15/823750315.db2.gz ZKGQFVDCXVAJRI-CVEARBPZSA-N 1 0 381.358 4.181 20 0 GIADRO C[C@@H](C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)c1cccc(Br)c1 ZINC000461910401 823750360 /nfs/dbraw/zinc/75/03/60/823750360.db2.gz ZKGQFVDCXVAJRI-JKSUJKDBSA-N 1 0 381.358 4.181 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)[C@H](C)c1nc2ccccc2s1 ZINC000163805482 823750427 /nfs/dbraw/zinc/75/04/27/823750427.db2.gz WICWLRYFEWLIQQ-HOTGVXAUSA-N 1 0 397.544 4.045 20 0 GIADRO Cc1ccc(-c2nc(C(=O)N3C[C@@H](c4ccccc4F)[C@H]([NH3+])C3)cs2)c(C)c1 ZINC000574510915 823752382 /nfs/dbraw/zinc/75/23/82/823752382.db2.gz ANNOIKIGSSLCLC-PKOBYXMFSA-N 1 0 395.503 4.133 20 0 GIADRO O=C(CCN1CC[NH+](CC2CCCCC2)CC1)Nc1ccc(Cl)cc1F ZINC000064129399 823752501 /nfs/dbraw/zinc/75/25/01/823752501.db2.gz JNXBSSRTPGVYLK-UHFFFAOYSA-N 1 0 381.923 4.006 20 0 GIADRO O[C@@H](C[NH2+]Cc1nc2ccccc2n1C1CC1)COc1cccc2ccccc21 ZINC000574513385 823752781 /nfs/dbraw/zinc/75/27/81/823752781.db2.gz NKTZUXQNGNKDHZ-IBGZPJMESA-N 1 0 387.483 4.054 20 0 GIADRO CC[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)CC(F)(F)F ZINC000413325004 823752835 /nfs/dbraw/zinc/75/28/35/823752835.db2.gz JVOFIXHZOUOXNA-DZKIICNBSA-N 1 0 391.503 4.409 20 0 GIADRO CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)N1CC[NH+](CC2CCCCC2)CC1 ZINC000064130078 823752855 /nfs/dbraw/zinc/75/28/55/823752855.db2.gz XLEUEZPJGXNKGM-OAQYLSRUSA-N 1 0 385.596 4.010 20 0 GIADRO Cc1cc(Cl)ccc1NC(=O)[C@H](C)N1CC[NH+](CC2CCCCC2)CC1 ZINC000064130119 823752930 /nfs/dbraw/zinc/75/29/30/823752930.db2.gz SJZLUQKALUYHMS-KRWDZBQOSA-N 1 0 377.960 4.173 20 0 GIADRO C[C@@H](C(=O)NCCCC[NH+]1CCC(C)CC1)c1cccc(Br)c1 ZINC000461921167 823755955 /nfs/dbraw/zinc/75/59/55/823755955.db2.gz WMEXHMMMJWWBMO-MRXNPFEDSA-N 1 0 381.358 4.181 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)NCc2cnccc2C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000413351060 823757331 /nfs/dbraw/zinc/75/73/31/823757331.db2.gz AGBKLPPMPSPVSU-NQIIRXRSSA-N 1 0 394.563 4.231 20 0 GIADRO COc1ccc2c(c1)CCC[C@H]2[N@H+](C)Cc1c(C)nn(-c2ccccn2)c1C ZINC000574534901 823757623 /nfs/dbraw/zinc/75/76/23/823757623.db2.gz DBLIUCADRJBOSK-JOCHJYFZSA-N 1 0 376.504 4.402 20 0 GIADRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1c[nH]c(C(F)(F)F)c1 ZINC000574536605 823758045 /nfs/dbraw/zinc/75/80/45/823758045.db2.gz GJLRXTJZTGZVMZ-UHFFFAOYSA-N 1 0 383.439 4.143 20 0 GIADRO CCCN(CC[NH+](CC)CC)C(=O)Nc1ccc(Br)c(OC)c1 ZINC000461925233 823758617 /nfs/dbraw/zinc/75/86/17/823758617.db2.gz BXZZGFXIXAXXDY-UHFFFAOYSA-N 1 0 386.334 4.043 20 0 GIADRO C[C@H](C(=O)N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1)c1cccc(Br)c1 ZINC000461925093 823758699 /nfs/dbraw/zinc/75/86/99/823758699.db2.gz ZWDAABDVCBVGSH-FPXQBCRKSA-N 1 0 393.369 4.416 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(Cc2cc(Br)cc3cccnc32)C1 ZINC000163911810 823759907 /nfs/dbraw/zinc/75/99/07/823759907.db2.gz NFOJQYLXAIKHPH-OAHLLOKOSA-N 1 0 376.342 4.161 20 0 GIADRO COc1cc(NC(=O)C[N@@H+]2CCCCC[C@@H]2c2ccccc2)cc(OC)c1OC ZINC000125987550 823760473 /nfs/dbraw/zinc/76/04/73/823760473.db2.gz QITSEHRQBMPSTH-LJQANCHMSA-N 1 0 398.503 4.268 20 0 GIADRO CC[C@H](C(=O)N[C@@H](C)c1ccc(-n2ccnc2C)cc1)[N@H+](C)Cc1ccccc1 ZINC000574562332 823766707 /nfs/dbraw/zinc/76/67/07/823766707.db2.gz CIHPWJCCVHZCDM-FDDCHVKYSA-N 1 0 390.531 4.269 20 0 GIADRO CC[NH+]1CCN(CC(=O)Nc2ccc(Sc3ccccc3Cl)cc2)CC1 ZINC000461954227 823770245 /nfs/dbraw/zinc/77/02/45/823770245.db2.gz CLOKHWGJQBHLTM-UHFFFAOYSA-N 1 0 389.952 4.067 20 0 GIADRO Cc1cccc([C@@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)c2ccccn2)c1 ZINC000126042740 823773242 /nfs/dbraw/zinc/77/32/42/823773242.db2.gz GTMRTKCIVNOHMF-OAQYLSRUSA-N 1 0 380.536 4.042 20 0 GIADRO COCCOc1cccc(C[NH2+][C@@H](C)c2ccc(Br)cc2F)c1 ZINC000126042065 823773398 /nfs/dbraw/zinc/77/33/98/823773398.db2.gz NYEDHCDBPJZQNF-ZDUSSCGKSA-N 1 0 382.273 4.464 20 0 GIADRO C[C@H](NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000164067144 823774848 /nfs/dbraw/zinc/77/48/48/823774848.db2.gz MIOITRYKSSRSNI-IXDOHACOSA-N 1 0 397.485 4.325 20 0 GIADRO C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000064237073 823777920 /nfs/dbraw/zinc/77/79/20/823777920.db2.gz ULVJIIZRSWYNAB-HSZRJFAPSA-N 1 0 393.506 4.116 20 0 GIADRO Cc1ccc([C@H](CNC(=O)N(C)Cc2ccc(F)c(F)c2)[NH+]2CCCC2)cc1 ZINC000064237235 823778416 /nfs/dbraw/zinc/77/84/16/823778416.db2.gz QKJQMPKNHHIOBC-NRFANRHFSA-N 1 0 387.474 4.252 20 0 GIADRO C[C@H]1CCSCC[N@@H+]1Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000191812485 823778520 /nfs/dbraw/zinc/77/85/20/823778520.db2.gz OIWSOGDUHZNPLC-SFHVURJKSA-N 1 0 378.545 4.321 20 0 GIADRO Cc1nc(C(F)(F)F)sc1C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000461975853 823779056 /nfs/dbraw/zinc/77/90/56/823779056.db2.gz WNRDOWSGZUYQCE-UHFFFAOYSA-N 1 0 397.466 4.173 20 0 GIADRO Brc1ccn2cc(C[NH2+]C[C@H]3CC[C@H](c4ccccc4)O3)nc2c1 ZINC000574609044 823780235 /nfs/dbraw/zinc/78/02/35/823780235.db2.gz MQFOUOBDHJLERI-QZTJIDSGSA-N 1 0 386.293 4.107 20 0 GIADRO CC(=O)c1ccc2c(c1)CN(C(=O)N[C@@H](C[N@H+](C)Cc1ccccc1)C(C)C)C2 ZINC000413457382 823781613 /nfs/dbraw/zinc/78/16/13/823781613.db2.gz OGDYARVLHYKELW-QHCPKHFHSA-N 1 0 393.531 4.071 20 0 GIADRO COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H](C)c2cc(C)sc2C)c(OC)c1 ZINC000126081664 823782440 /nfs/dbraw/zinc/78/24/40/823782440.db2.gz ZRFRGLFLHFFSTG-TZMCWYRMSA-N 1 0 376.522 4.450 20 0 GIADRO CCCCNc1ccccc1C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000164186914 823785000 /nfs/dbraw/zinc/78/50/00/823785000.db2.gz FHGNZLQACFOPAV-SFHVURJKSA-N 1 0 380.536 4.249 20 0 GIADRO O[C@H](C[NH2+]C[C@@H]1CCOC2(CCC2)C1)COc1ccc(Oc2ccccc2)cc1 ZINC000574631242 823786149 /nfs/dbraw/zinc/78/61/49/823786149.db2.gz IDHXTYGNEXRXEY-WOJBJXKFSA-N 1 0 397.515 4.158 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C)c1cccc(Br)c1)c1ccco1 ZINC000461991886 823786409 /nfs/dbraw/zinc/78/64/09/823786409.db2.gz ZVWVCEGIWSBPQZ-YOEHRIQHSA-N 1 0 393.325 4.345 20 0 GIADRO C[C@@H]([NH2+]Cc1cc(=O)n2ccccc2n1)c1ccc(SCC(F)(F)F)cc1 ZINC000574644287 823789331 /nfs/dbraw/zinc/78/93/31/823789331.db2.gz ORHAEDFFYIDDAX-CYBMUJFWSA-N 1 0 393.434 4.200 20 0 GIADRO Cc1nc(NC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)sc1C ZINC000064316830 823790109 /nfs/dbraw/zinc/79/01/09/823790109.db2.gz SDIVHWFHECTMCT-KRWDZBQOSA-N 1 0 383.439 4.153 20 0 GIADRO O=C(Nc1ccc(F)c(F)c1)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000064316653 823790143 /nfs/dbraw/zinc/79/01/43/823790143.db2.gz BNGZHFRAWJTZSI-SFHVURJKSA-N 1 0 384.348 4.358 20 0 GIADRO CCCC[C@H](CC)[NH2+]Cc1cccnc1Oc1cccc(S(C)(=O)=O)c1 ZINC000164258210 823790312 /nfs/dbraw/zinc/79/03/12/823790312.db2.gz YUMJXGURWWZBRN-KRWDZBQOSA-N 1 0 376.522 4.336 20 0 GIADRO C[C@@H]1SCC[N@H+](C[C@@H]2CCN(C(=O)c3ccccc3)C2)[C@H]1c1ccccc1 ZINC000574654239 823791741 /nfs/dbraw/zinc/79/17/41/823791741.db2.gz NVKYSLLVSHWVEA-CNNODRBYSA-N 1 0 380.557 4.327 20 0 GIADRO CCOc1ccccc1Oc1ccccc1C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000164285445 823792470 /nfs/dbraw/zinc/79/24/70/823792470.db2.gz DQTRZQSVIRPAKL-QUCCMNQESA-N 1 0 394.515 4.434 20 0 GIADRO CC(C)c1c(C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cnn1-c1ccccc1Cl ZINC000191839377 823792879 /nfs/dbraw/zinc/79/28/79/823792879.db2.gz POLWRSKYDXGSLN-INIZCTEOSA-N 1 0 388.943 4.063 20 0 GIADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)N(C)Cc1c(C)nn(-c2ccccc2C)c1C ZINC000462009970 823793246 /nfs/dbraw/zinc/79/32/46/823793246.db2.gz MPVZQLXLKCRVQD-GOSISDBHSA-N 1 0 399.583 4.059 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)N1CCC(c2ccncc2)CC1 ZINC000191842704 823793958 /nfs/dbraw/zinc/79/39/58/823793958.db2.gz BCKTTYUTYNMUBJ-UHFFFAOYSA-N 1 0 396.535 4.214 20 0 GIADRO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCc2nccn2CCc2ccccc2)CC1 ZINC000164305127 823794811 /nfs/dbraw/zinc/79/48/11/823794811.db2.gz LSOVZJVZOKEIAQ-REWPJTCUSA-N 1 0 380.580 4.259 20 0 GIADRO C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]Cc1nccn1CCCc1ccccc1 ZINC000164321045 823796195 /nfs/dbraw/zinc/79/61/95/823796195.db2.gz FMBMYGNGZYMFHQ-SFHVURJKSA-N 1 0 394.494 4.162 20 0 GIADRO Cc1csc(N2CCC([NH2+]Cc3nccn3CCCc3ccccc3)CC2)n1 ZINC000164327765 823796270 /nfs/dbraw/zinc/79/62/70/823796270.db2.gz WYMWJCWSWJFVBY-UHFFFAOYSA-N 1 0 395.576 4.039 20 0 GIADRO C[C@@H](CNC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000413556659 823796478 /nfs/dbraw/zinc/79/64/78/823796478.db2.gz SYSRYZMUMVLBNZ-AEFFLSMTSA-N 1 0 385.474 4.176 20 0 GIADRO Cc1c([C@@H](C)[NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)nnn1-c1ccc(F)cc1 ZINC000191855845 823796907 /nfs/dbraw/zinc/79/69/07/823796907.db2.gz ANDYDIPZJNGCDD-QRFQSNJMSA-N 1 0 380.467 4.143 20 0 GIADRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)c2C1 ZINC000191862878 823798445 /nfs/dbraw/zinc/79/84/45/823798445.db2.gz LATQKAWOBXEELF-HZPDHXFCSA-N 1 0 389.540 4.146 20 0 GIADRO CC[C@@H](Oc1ccccc1F)C(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000413578934 823799900 /nfs/dbraw/zinc/79/99/00/823799900.db2.gz YLASSHOWLHAROC-OAQYLSRUSA-N 1 0 384.495 4.106 20 0 GIADRO COCCN1CCC([NH2+]CC2(c3cccc(C(F)(F)F)c3)CCCC2)CC1 ZINC000462030403 823802533 /nfs/dbraw/zinc/80/25/33/823802533.db2.gz INWFDMGURFZXOF-UHFFFAOYSA-N 1 0 384.486 4.218 20 0 GIADRO COc1ccc(C)cc1C1(C[NH2+][C@@H](c2ncc[nH]2)c2ccccc2)CCOCC1 ZINC000126158997 823802523 /nfs/dbraw/zinc/80/25/23/823802523.db2.gz ZUIQNTMODOKRAL-JOCHJYFZSA-N 1 0 391.515 4.154 20 0 GIADRO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)Nc1cccc(C(F)F)c1 ZINC000191882178 823803105 /nfs/dbraw/zinc/80/31/05/823803105.db2.gz XVRPMDGFDGANAL-LJQANCHMSA-N 1 0 389.446 4.037 20 0 GIADRO CC(C)[NH+]1CCC(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)CC1 ZINC000462030643 823803119 /nfs/dbraw/zinc/80/31/19/823803119.db2.gz ZIQLWVCQTPEEMK-UHFFFAOYSA-N 1 0 383.458 4.365 20 0 GIADRO COc1ccccc1[C@@H]1C[C@H]1C(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000413611296 823803540 /nfs/dbraw/zinc/80/35/40/823803540.db2.gz CVQHQDSCYCNUQY-YHDSQAASSA-N 1 0 392.543 4.072 20 0 GIADRO CC(C)[N@@H+]1CCCN(C(=O)C[C@@H](C)c2ccc(F)c(Br)c2)CC1 ZINC000462036295 823805496 /nfs/dbraw/zinc/80/54/96/823805496.db2.gz MJVQLNFQWFGDTD-CQSZACIVSA-N 1 0 385.321 4.025 20 0 GIADRO CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+][C@H]2COc3c(cccc3OC)C2)cc1 ZINC000164508389 823805943 /nfs/dbraw/zinc/80/59/43/823805943.db2.gz LYHIDUWRNBSZRZ-OXQOHEQNSA-N 1 0 397.519 4.223 20 0 GIADRO Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000164511638 823806095 /nfs/dbraw/zinc/80/60/95/823806095.db2.gz KIWJNRWBTXKUFA-WBVHZDCISA-N 1 0 389.952 4.328 20 0 GIADRO Cc1noc(-c2ccccc2)c1NC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000126182112 823806908 /nfs/dbraw/zinc/80/69/08/823806908.db2.gz GFXPQBXLIOQPPM-GOSISDBHSA-N 1 0 382.439 4.214 20 0 GIADRO CCCOc1c(Cl)cc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1OCC ZINC000164535510 823807600 /nfs/dbraw/zinc/80/76/00/823807600.db2.gz VMAXCCJPIBGDAF-MAUKXSAKSA-N 1 0 394.943 4.084 20 0 GIADRO O=C(c1cnn(-c2ccccc2Cl)c1)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000064393713 823809428 /nfs/dbraw/zinc/80/94/28/823809428.db2.gz PEPNWBHNZLLSAU-GOSISDBHSA-N 1 0 392.890 4.151 20 0 GIADRO C[C@H](NC(=O)[C@H](C)[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O)c1cc2ccccc2o1 ZINC000574723529 823809607 /nfs/dbraw/zinc/80/96/07/823809607.db2.gz RMKRAQXDWIKDMT-HNULKUCHSA-N 1 0 384.520 4.014 20 0 GIADRO CCC(CC)(CNC(=O)NCc1ccn(C(C)C)n1)[NH2+][C@H](C)c1ccccc1 ZINC000574725288 823810513 /nfs/dbraw/zinc/81/05/13/823810513.db2.gz CDLREPUAPYPZBP-GOSISDBHSA-N 1 0 385.556 4.173 20 0 GIADRO C[NH+](C)C[C@H](NC(=O)N[C@@H]1CCc2sc(Cl)cc21)c1ccc(F)cc1 ZINC000462049164 823811542 /nfs/dbraw/zinc/81/15/42/823811542.db2.gz WSTXBMSJLDMTMK-CABCVRRESA-N 1 0 381.904 4.130 20 0 GIADRO Cc1ccc([C@@H](C[NH2+][C@@H](C)c2ccc(Br)s2)N2CCOCC2)o1 ZINC000164625213 823813251 /nfs/dbraw/zinc/81/32/51/823813251.db2.gz BMVMJUAYKCHIEM-UONOGXRCSA-N 1 0 399.354 4.136 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H](c2c(Cl)cccc2Cl)C2CC2)C1 ZINC000462055231 823814701 /nfs/dbraw/zinc/81/47/01/823814701.db2.gz PVQJOBHWRTZOOT-FZKQIMNGSA-N 1 0 384.351 4.428 20 0 GIADRO C[C@H](CC(=O)N1CC[C@H]([NH+]2CCCCC2)C1)c1ccc(F)c(Br)c1 ZINC000462056112 823815012 /nfs/dbraw/zinc/81/50/12/823815012.db2.gz RZVOQAOECCWDOQ-ZBFHGGJFSA-N 1 0 397.332 4.169 20 0 GIADRO O=C(c1ccccc1Cl)N1CCC([NH2+]CCc2c(F)cccc2F)CC1 ZINC000164680594 823815657 /nfs/dbraw/zinc/81/56/57/823815657.db2.gz SRKLLOUPMXRYEA-UHFFFAOYSA-N 1 0 378.850 4.055 20 0 GIADRO CC(=O)N(c1nc(CN2CC[NH+](C(C)C)CC2)cs1)c1cccc(Cl)c1 ZINC000164697136 823816055 /nfs/dbraw/zinc/81/60/55/823816055.db2.gz SNSMRVQYHVXSGG-UHFFFAOYSA-N 1 0 392.956 4.007 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCCc1cccs1 ZINC000064430093 823817774 /nfs/dbraw/zinc/81/77/74/823817774.db2.gz UUCINVYIIKDWPK-UHFFFAOYSA-N 1 0 399.482 4.083 20 0 GIADRO CC(C)n1cc([C@H](C)[NH2+][C@H]2CCN(c3ccc(Br)cc3)C2)cn1 ZINC000164759407 823818571 /nfs/dbraw/zinc/81/85/71/823818571.db2.gz ZWEMERHIWAENPU-YOEHRIQHSA-N 1 0 377.330 4.156 20 0 GIADRO Cc1cc(Br)ccc1NC(=O)CC[NH2+][C@@H]1CCc2ccccc2C1 ZINC000462069206 823818744 /nfs/dbraw/zinc/81/87/44/823818744.db2.gz YCHMEIUQHMVNEK-GOSISDBHSA-N 1 0 387.321 4.233 20 0 GIADRO C[C@H](NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1nc(C(C)(C)C)cs1 ZINC000126242697 823819225 /nfs/dbraw/zinc/81/92/25/823819225.db2.gz JJPANGNFJHSCAG-UXLLHSPISA-N 1 0 390.597 4.160 20 0 GIADRO CC[C@@H]1CCCCN1CC[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000164863979 823823644 /nfs/dbraw/zinc/82/36/44/823823644.db2.gz DEVNMMXCRSLKKW-JKSUJKDBSA-N 1 0 385.474 4.277 20 0 GIADRO FC(F)Oc1cc(C[NH2+][C@H]2CCCOc3c(Br)cccc32)ccn1 ZINC000574777531 823823932 /nfs/dbraw/zinc/82/39/32/823823932.db2.gz RKBZZFIIYLZKBR-AWEZNQCLSA-N 1 0 399.235 4.449 20 0 GIADRO CC[C@H](C(=O)N1CCC(c2nc(-c3ccncc3)cs2)CC1)[NH+](CC)CC ZINC000462089571 823824904 /nfs/dbraw/zinc/82/49/04/823824904.db2.gz BKIKEGZYPUWFLE-LJQANCHMSA-N 1 0 386.565 4.032 20 0 GIADRO CC[C@H](CNC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)CC(F)(F)F ZINC000413723985 823826062 /nfs/dbraw/zinc/82/60/62/823826062.db2.gz CBOONTUDMGTZFY-WDSOQIARSA-N 1 0 397.485 4.129 20 0 GIADRO COc1cccc(OC)c1OCCCC[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000574788527 823826405 /nfs/dbraw/zinc/82/64/05/823826405.db2.gz GPPAQNJXDWOOBY-UHFFFAOYSA-N 1 0 384.520 4.075 20 0 GIADRO O=C(NCc1ccco1)c1cccc(C[NH2+][C@@H]2CCCOc3ccc(F)cc32)c1 ZINC000164989676 823828649 /nfs/dbraw/zinc/82/86/49/823828649.db2.gz YDBJAMNPCCYFRE-OAQYLSRUSA-N 1 0 394.446 4.352 20 0 GIADRO CC[C@H](CNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)CC(F)(F)F ZINC000413740382 823829596 /nfs/dbraw/zinc/82/95/96/823829596.db2.gz NJLLRALLOSHJDI-INIZCTEOSA-N 1 0 377.495 4.263 20 0 GIADRO CC[C@H]([NH2+]Cc1cccc(C(=O)NCc2ccco2)c1)c1ccc(OC)cc1 ZINC000165002782 823829871 /nfs/dbraw/zinc/82/98/71/823829871.db2.gz UVQZKIYDTWHKDC-QFIPXVFZSA-N 1 0 378.472 4.459 20 0 GIADRO CC[NH+]1CCC(N(c2ccccc2)S(=O)(=O)c2ccc(F)cc2Cl)CC1 ZINC000191976712 823829850 /nfs/dbraw/zinc/82/98/50/823829850.db2.gz PWFXWIBFTDNDFZ-UHFFFAOYSA-N 1 0 396.915 4.159 20 0 GIADRO C[N@H+](Cc1ccccc1CNC(=O)c1ccc2c(c1)COC2)C1CCCCC1 ZINC000064489968 823830060 /nfs/dbraw/zinc/83/00/60/823830060.db2.gz KABLRGOHXKABCY-UHFFFAOYSA-N 1 0 378.516 4.411 20 0 GIADRO COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000462110097 823830102 /nfs/dbraw/zinc/83/01/02/823830102.db2.gz GZADACAOOLOXPE-INIZCTEOSA-N 1 0 393.314 4.396 20 0 GIADRO CC(C)[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000462111322 823830527 /nfs/dbraw/zinc/83/05/27/823830527.db2.gz JBUDSKMYXODJMI-AZUAARDMSA-N 1 0 378.944 4.220 20 0 GIADRO O=C(CC[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1)Nc1ccccc1 ZINC000165030326 823831182 /nfs/dbraw/zinc/83/11/82/823831182.db2.gz CLQVEDNTJKNNSN-UHFFFAOYSA-N 1 0 389.902 4.062 20 0 GIADRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000064496563 823831437 /nfs/dbraw/zinc/83/14/37/823831437.db2.gz UHISSJGLISYXNK-FCHUYYIVSA-N 1 0 382.935 4.472 20 0 GIADRO COc1ccc(C[NH+](Cc2ccc(OC)cc2)C[C@@H]2CC3(CCC3)C(=O)O2)cc1 ZINC000191990922 823831886 /nfs/dbraw/zinc/83/18/86/823831886.db2.gz VJSQIHWREUSXDH-QFIPXVFZSA-N 1 0 395.499 4.192 20 0 GIADRO CO[C@@H](C)c1nc(C[NH2+][C@H]2CCc3cc(Br)ccc3C2)cs1 ZINC000462115029 823832893 /nfs/dbraw/zinc/83/28/93/823832893.db2.gz BLRNGADUJYFNKK-NHYWBVRUSA-N 1 0 381.339 4.260 20 0 GIADRO C[C@H]1CN(c2ccc(NC(=O)c3cccc(C[NH+]4CCCC4)c3)cc2)C[C@H](C)O1 ZINC000064510184 823833043 /nfs/dbraw/zinc/83/30/43/823833043.db2.gz PVMACKZYDIBVTG-OALUTQOASA-N 1 0 393.531 4.148 20 0 GIADRO C[C@@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)c1ccc(Br)s1 ZINC000165100195 823833642 /nfs/dbraw/zinc/83/36/42/823833642.db2.gz NKUMZRKMWOGMKO-GFCCVEGCSA-N 1 0 381.339 4.106 20 0 GIADRO C[C@H](c1cccc2ccccc21)[NH+]1CCN(CCCOCC(F)(F)F)CC1 ZINC000064518001 823833722 /nfs/dbraw/zinc/83/37/22/823833722.db2.gz ZIXTVTFKNUWEBW-QGZVFWFLSA-N 1 0 380.454 4.487 20 0 GIADRO CC(C)[C@H](Cc1ccccc1)C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000126302987 823834361 /nfs/dbraw/zinc/83/43/61/823834361.db2.gz HQIZRXAMGSHIDP-QHCPKHFHSA-N 1 0 379.548 4.271 20 0 GIADRO O=C1Nc2ccccc2CC[C@@H]1[NH+]1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000192016672 823835596 /nfs/dbraw/zinc/83/55/96/823835596.db2.gz WYCIDMDMAZKWIK-SFTDATJTSA-N 1 0 384.907 4.039 20 0 GIADRO O=C1Nc2ccccc2CC[C@H]1[NH+]1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000192016666 823835696 /nfs/dbraw/zinc/83/56/96/823835696.db2.gz WYCIDMDMAZKWIK-NHCUHLMSSA-N 1 0 384.907 4.039 20 0 GIADRO O=C1Nc2ccccc2CC[C@@H]1[NH+]1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000192016660 823835804 /nfs/dbraw/zinc/83/58/04/823835804.db2.gz WYCIDMDMAZKWIK-LEWJYISDSA-N 1 0 384.907 4.039 20 0 GIADRO Cc1ccc(OCCC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1C ZINC000064522343 823835881 /nfs/dbraw/zinc/83/58/81/823835881.db2.gz VJDHVNSKBYJRBT-IBGZPJMESA-N 1 0 386.561 4.162 20 0 GIADRO CCOc1cccc(CCNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000165148026 823835884 /nfs/dbraw/zinc/83/58/84/823835884.db2.gz WZRYNPYGJGZGER-UHFFFAOYSA-N 1 0 380.532 4.046 20 0 GIADRO C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1F ZINC000192025202 823836529 /nfs/dbraw/zinc/83/65/29/823836529.db2.gz ORIZDINKGIRGJG-FJNPEDAXSA-N 1 0 380.822 4.065 20 0 GIADRO O=C(C[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1)Nc1nc2ccccc2s1 ZINC000192031337 823837656 /nfs/dbraw/zinc/83/76/56/823837656.db2.gz VKQWKTXWOFPQIC-MAUKXSAKSA-N 1 0 387.892 4.008 20 0 GIADRO COc1ccc(NC(=O)C[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)cc1Cl ZINC000192031458 823837775 /nfs/dbraw/zinc/83/77/75/823837775.db2.gz BNTVTQBOKRJGRB-VQIMIIECSA-N 1 0 395.286 4.060 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNc2cnn(C(C)(C)C)c(=O)c2Cl)cc1 ZINC000064537757 823839213 /nfs/dbraw/zinc/83/92/13/823839213.db2.gz IIWNCJRYBGYLKE-UHFFFAOYSA-N 1 0 376.932 4.106 20 0 GIADRO Cc1nccn1-c1ccc(C[NH2+][C@H](C)c2ccccc2OC(F)(F)F)cn1 ZINC000126322821 823839903 /nfs/dbraw/zinc/83/99/03/823839903.db2.gz ULDFJGGDKKSXGL-CYBMUJFWSA-N 1 0 376.382 4.325 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)C[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000192038383 823840582 /nfs/dbraw/zinc/84/05/82/823840582.db2.gz WTRUUWWUZVBBAD-HNAYVOBHSA-N 1 0 395.286 4.060 20 0 GIADRO C[C@@H]([NH2+][C@@H](CO)C1CCCC1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000574846988 823841248 /nfs/dbraw/zinc/84/12/48/823841248.db2.gz DMXXZOAONYREAX-VGSWGCGISA-N 1 0 379.504 4.115 20 0 GIADRO Cc1cccc2[nH]cc(CC[NH2+]C3CCN(c4ccc(N(C)C)cc4)CC3)c21 ZINC000165252471 823841357 /nfs/dbraw/zinc/84/13/57/823841357.db2.gz ZMVRYJBHMCQWMU-UHFFFAOYSA-N 1 0 376.548 4.343 20 0 GIADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1cc(Br)cs1)Cc1ccncc1 ZINC000574847177 823841640 /nfs/dbraw/zinc/84/16/40/823841640.db2.gz WPBQRLJOJCKMOJ-QGZVFWFLSA-N 1 0 394.382 4.392 20 0 GIADRO C[C@@H](C(=O)Nc1ccc(F)cc1OCCC(F)(F)F)[NH+]1[C@H](C)CC[C@H]1C ZINC000413790445 823842055 /nfs/dbraw/zinc/84/20/55/823842055.db2.gz KIZJBCPROGMGKH-UPJWGTAASA-N 1 0 376.394 4.357 20 0 GIADRO CC(C)(C)C(=O)N1CCC(C[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000192044448 823842567 /nfs/dbraw/zinc/84/25/67/823842567.db2.gz LUWBPGCKFRUFGI-RTBURBONSA-N 1 0 378.944 4.044 20 0 GIADRO CCC[N@H+](C)[C@@H](CNC(=O)c1cn(C)nc1C1CCC1)c1ccc(Cl)cc1 ZINC000413807945 823843512 /nfs/dbraw/zinc/84/35/12/823843512.db2.gz QORIZABEUQAHTJ-IBGZPJMESA-N 1 0 388.943 4.154 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)Nc2ccc3c(c2)CCCN3C)CC1 ZINC000064561581 823844895 /nfs/dbraw/zinc/84/48/95/823844895.db2.gz ZBRGUZSQDMFGPS-UHFFFAOYSA-N 1 0 392.547 4.164 20 0 GIADRO COc1ccc(C)cc1NC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000192051859 823845037 /nfs/dbraw/zinc/84/50/37/823845037.db2.gz QYKQLKNJHOJHPZ-JNAXZKDPSA-N 1 0 388.895 4.104 20 0 GIADRO Cc1nc(C(F)(F)F)sc1C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000462148293 823845242 /nfs/dbraw/zinc/84/52/42/823845242.db2.gz BJMNBYRCLMMIEB-CYBMUJFWSA-N 1 0 397.466 4.207 20 0 GIADRO CCc1ccccc1N(C(C)=O)c1nc(CN2CC[C@H]([NH+]3CCCC3)C2)cs1 ZINC000165368949 823845643 /nfs/dbraw/zinc/84/56/43/823845643.db2.gz VPWAZOFRQKDRIZ-FQEVSTJZSA-N 1 0 398.576 4.060 20 0 GIADRO O=C(c1cc(Cl)cc(Br)c1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000126348067 823845887 /nfs/dbraw/zinc/84/58/87/823845887.db2.gz LCIQIYKATCEZQO-UHFFFAOYSA-N 1 0 385.733 4.051 20 0 GIADRO Cc1nccn1-c1ccc(C[NH2+][C@H](C)c2cnn(-c3ccc(F)cc3)c2C)cn1 ZINC000126356344 823847776 /nfs/dbraw/zinc/84/77/76/823847776.db2.gz UPCSDQDYGPMBCV-OAHLLOKOSA-N 1 0 390.466 4.060 20 0 GIADRO Cc1c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cccc1-c1ccccn1 ZINC000165410448 823848036 /nfs/dbraw/zinc/84/80/36/823848036.db2.gz MLGJRCJWYWWJCS-UHFFFAOYSA-N 1 0 386.499 4.061 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1Br)c1ccc(NC(N)=O)cc1 ZINC000165416748 823848374 /nfs/dbraw/zinc/84/83/74/823848374.db2.gz NJFIXVJVDFVVAS-QWRGUYRKSA-N 1 0 380.261 4.491 20 0 GIADRO C[C@](O)(C[NH2+]Cc1ccc(Oc2ccccc2C(F)(F)F)nc1)C(F)(F)F ZINC000574869084 823848416 /nfs/dbraw/zinc/84/84/16/823848416.db2.gz MUEDUYKICDKSLF-HNNXBMFYSA-N 1 0 394.315 4.296 20 0 GIADRO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)c(F)c1 ZINC000192066311 823849189 /nfs/dbraw/zinc/84/91/89/823849189.db2.gz JUWYUKVWYCNXNQ-MJXNMMHHSA-N 1 0 376.859 4.234 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cccc(Oc2ccncc2)c1 ZINC000462161596 823849228 /nfs/dbraw/zinc/84/92/28/823849228.db2.gz YMTVURCILCSSGP-FDDCHVKYSA-N 1 0 387.483 4.124 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)CSc1ccc(Cl)cc1 ZINC000126370178 823850389 /nfs/dbraw/zinc/85/03/89/823850389.db2.gz ZAGJLWQPBKYUMA-UHFFFAOYSA-N 1 0 389.952 4.202 20 0 GIADRO CN(C(=O)NCc1ccc2sccc2c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000462165542 823850689 /nfs/dbraw/zinc/85/06/89/823850689.db2.gz JSQKZYNPEVHODE-HXUWFJFHSA-N 1 0 379.529 4.317 20 0 GIADRO Cc1ccc(CCN(CC(F)(F)F)C(=O)c2ccc(CC[NH+](C)C)cc2)cc1 ZINC000574889233 823852420 /nfs/dbraw/zinc/85/24/20/823852420.db2.gz TUKDQOWUJITQCD-UHFFFAOYSA-N 1 0 392.465 4.346 20 0 GIADRO C[NH+](C)[C@H]1CCOc2c(NC(=O)c3ccc([C@@H]4CCCOC4)cc3)cccc21 ZINC000574891767 823852869 /nfs/dbraw/zinc/85/28/69/823852869.db2.gz MAHATOVHGQOXKF-NQIIRXRSSA-N 1 0 380.488 4.218 20 0 GIADRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)c3ccc([C@@H]4CCCOC4)cc3)cccc21 ZINC000574891769 823853275 /nfs/dbraw/zinc/85/32/75/823853275.db2.gz MAHATOVHGQOXKF-WIYYLYMNSA-N 1 0 380.488 4.218 20 0 GIADRO CCc1cccc(C)c1NC(=O)C[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000192081777 823853865 /nfs/dbraw/zinc/85/38/65/823853865.db2.gz ZLPWYQPZNMQWRQ-WIYYLYMNSA-N 1 0 390.886 4.408 20 0 GIADRO C[C@@H](C(=O)NC1CC[NH+](C2CCCC2)CC1)c1cccc(Br)c1 ZINC000462175863 823854352 /nfs/dbraw/zinc/85/43/52/823854352.db2.gz KWESIXINWMWFDP-CQSZACIVSA-N 1 0 379.342 4.076 20 0 GIADRO Cc1ccc2[nH]cc(CCC(=O)N[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C)c2c1 ZINC000462175544 823854594 /nfs/dbraw/zinc/85/45/94/823854594.db2.gz KTACDIHCZLIPAI-JPYJTQIMSA-N 1 0 375.516 4.046 20 0 GIADRO O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000064628011 823854767 /nfs/dbraw/zinc/85/47/67/823854767.db2.gz VZWRABCIIBOYQB-CQSZACIVSA-N 1 0 395.837 4.187 20 0 GIADRO C[C@@H]([NH2+]CC1(CCO)CCCCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000165618831 823855959 /nfs/dbraw/zinc/85/59/59/823855959.db2.gz RLDVHUQNEHIMSP-QGZVFWFLSA-N 1 0 380.960 4.160 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)c1ccccc1OC)c1ccccc1OCC(=O)N1CCCC1 ZINC000165650134 823857013 /nfs/dbraw/zinc/85/70/13/823857013.db2.gz CGQVACAWFSLXIL-RXVVDRJESA-N 1 0 396.531 4.498 20 0 GIADRO COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCCc3ccccc32)c(OC)c1 ZINC000126401332 823857665 /nfs/dbraw/zinc/85/76/65/823857665.db2.gz SYLORZMFQFNUEZ-SJLPKXTDSA-N 1 0 382.504 4.131 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccccc1CCC(F)(F)F ZINC000462184606 823859171 /nfs/dbraw/zinc/85/91/71/823859171.db2.gz BCZPCPLZFXCCDS-OXQOHEQNSA-N 1 0 390.449 4.432 20 0 GIADRO CSc1nnc(CCC[NH2+][C@H](C)c2ccc(-n3ccnc3)cc2)n1CC(C)C ZINC000165695861 823859386 /nfs/dbraw/zinc/85/93/86/823859386.db2.gz UGBGXPOYPRMNTH-QGZVFWFLSA-N 1 0 398.580 4.125 20 0 GIADRO CC[C@H]([NH2+][C@H]1CCCc2cc(OC)ccc21)c1ccccc1OCC(=O)N(C)C ZINC000165702179 823860033 /nfs/dbraw/zinc/86/00/33/823860033.db2.gz AWCUFHXASQJSHK-VXKWHMMOSA-N 1 0 396.531 4.281 20 0 GIADRO COc1ccc([C@@H](CO)[N@H+](C)Cc2c(C)nn(Cc3ccc(C)cc3)c2C)cc1 ZINC000126411071 823860346 /nfs/dbraw/zinc/86/03/46/823860346.db2.gz IWMZYYYCMJGVBY-XMMPIXPASA-N 1 0 393.531 4.031 20 0 GIADRO COc1ccc2c(c1)CCC[C@H]2[NH2+]CCCc1nnc(SC)n1CC(C)C ZINC000165714519 823860496 /nfs/dbraw/zinc/86/04/96/823860496.db2.gz WCVBTTJVSDEONH-LJQANCHMSA-N 1 0 388.581 4.264 20 0 GIADRO Cc1cc(C)c(NC(=O)C[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c(C)c1 ZINC000192102235 823860610 /nfs/dbraw/zinc/86/06/10/823860610.db2.gz TWRSJQPDVIIWCQ-WIYYLYMNSA-N 1 0 390.886 4.463 20 0 GIADRO Cc1c(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)sc2nccc(C)c12 ZINC000462188471 823861142 /nfs/dbraw/zinc/86/11/42/823861142.db2.gz IEESYSDIKMZYDY-MAUKXSAKSA-N 1 0 379.529 4.163 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C[C@@H](c1ccccc1)C(F)(F)F ZINC000462190975 823862361 /nfs/dbraw/zinc/86/23/61/823862361.db2.gz RUIRGSAGCNPEJU-LSTHTHJFSA-N 1 0 390.449 4.359 20 0 GIADRO CCc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000574929216 823862469 /nfs/dbraw/zinc/86/24/69/823862469.db2.gz USZFPGSFVQDDCS-ABQRKTDGSA-N 1 0 376.544 4.379 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)Cc1cccc(F)c1)c1cccc(N2CCCC2)c1 ZINC000126421482 823862699 /nfs/dbraw/zinc/86/26/99/823862699.db2.gz SBDLZZIOVKJWSW-MSOLQXFVSA-N 1 0 383.511 4.124 20 0 GIADRO Cc1cc(Br)ccc1C(=O)Nc1ccc(OCC[NH+](C)C)cc1F ZINC000413901157 823862689 /nfs/dbraw/zinc/86/26/89/823862689.db2.gz MERLSZOBDWOOHW-UHFFFAOYSA-N 1 0 395.272 4.089 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)c(F)c1 ZINC000413906417 823863954 /nfs/dbraw/zinc/86/39/54/823863954.db2.gz YMZCDQXAUPNOHF-CHWSQXEVSA-N 1 0 376.394 4.073 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)c(F)c1 ZINC000413906827 823864067 /nfs/dbraw/zinc/86/40/67/823864067.db2.gz ZMTNMSTVBSLFIU-CVEARBPZSA-N 1 0 376.859 4.162 20 0 GIADRO CC(=O)c1ccc(NC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000165893911 823865230 /nfs/dbraw/zinc/86/52/30/823865230.db2.gz NBBYWDFLNXVNJK-RTBURBONSA-N 1 0 389.858 4.249 20 0 GIADRO CCC[NH+]1CCN(C(=O)c2cc(-c3ccccc3)nc3cc(F)ccc32)CC1 ZINC000064692042 823865468 /nfs/dbraw/zinc/86/54/68/823865468.db2.gz FYGQQJHPBNEXHD-UHFFFAOYSA-N 1 0 377.463 4.209 20 0 GIADRO Cc1nc(C(F)(F)F)c(C[NH2+][C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)s1 ZINC000192116938 823865553 /nfs/dbraw/zinc/86/55/53/823865553.db2.gz OEBJPZHJHBHNOA-TZMCWYRMSA-N 1 0 378.366 4.368 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)c(F)c1 ZINC000413916703 823865620 /nfs/dbraw/zinc/86/56/20/823865620.db2.gz PKJRNSQZMBEABB-CHWSQXEVSA-N 1 0 382.888 4.223 20 0 GIADRO COC[C@@H]([NH2+][C@@H](C)c1sc(Cc2ccc(OC)c(OC)c2)nc1C)C(C)C ZINC000165941618 823866408 /nfs/dbraw/zinc/86/64/08/823866408.db2.gz UYSXFRHQDWSWQJ-WMLDXEAASA-N 1 0 392.565 4.381 20 0 GIADRO CC(=O)NCC[C@@H]1CCC[N@H+](CC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000574944182 823867408 /nfs/dbraw/zinc/86/74/08/823867408.db2.gz FWONOIZJZHGCIO-SFHVURJKSA-N 1 0 386.486 4.335 20 0 GIADRO CCOc1ccc(NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1F ZINC000574945796 823867687 /nfs/dbraw/zinc/86/76/87/823867687.db2.gz ARKUODXFUXSQMR-RBUKOAKNSA-N 1 0 397.494 4.210 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)C(=O)N[C@H](CC2CCCC2)c2ccccc2)c1 ZINC000126442034 823868346 /nfs/dbraw/zinc/86/83/46/823868346.db2.gz JVEPZRZKFWTZBS-JOCHJYFZSA-N 1 0 393.531 4.125 20 0 GIADRO CCC(CC)C(=O)N1CCC([NH2+]C2CCN(c3ccc(Cl)cc3)CC2)CC1 ZINC000166061759 823868927 /nfs/dbraw/zinc/86/89/27/823868927.db2.gz JFNGYPWMANRJGO-UHFFFAOYSA-N 1 0 391.987 4.326 20 0 GIADRO Cc1ccccc1[C@@H]([C@@H](C)Nc1ccc(C(=O)N2CCC(C)CC2)cn1)[NH+](C)C ZINC000574949928 823869418 /nfs/dbraw/zinc/86/94/18/823869418.db2.gz ZDTVOCVTMNVQFJ-AUSIDOKSSA-N 1 0 394.563 4.365 20 0 GIADRO CCC(CC)C(=O)N1CCC([NH2+][C@H](C)c2cc(Cl)c(OC)cc2OC)CC1 ZINC000166090736 823869528 /nfs/dbraw/zinc/86/95/28/823869528.db2.gz WCKIQLOCASGLNT-CQSZACIVSA-N 1 0 396.959 4.435 20 0 GIADRO CCC[C@H](NC(=O)C[NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000192129853 823870313 /nfs/dbraw/zinc/87/03/13/823870313.db2.gz ZRRBXYBCXRILPR-TUNNFDKTSA-N 1 0 388.458 4.042 20 0 GIADRO CC[NH+](CC)CCOc1ccc(CNC(=O)C2(c3cccc(C)c3)CC2)cc1 ZINC000064719838 823870666 /nfs/dbraw/zinc/87/06/66/823870666.db2.gz POZXXBBZKBCBGO-UHFFFAOYSA-N 1 0 380.532 4.064 20 0 GIADRO Nc1c(Cl)cc(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1Cl ZINC000126451478 823871210 /nfs/dbraw/zinc/87/12/10/823871210.db2.gz NZUVCGCMRZSAOI-UHFFFAOYSA-N 1 0 398.359 4.279 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)c(OC)c1 ZINC000166181956 823871913 /nfs/dbraw/zinc/87/19/13/823871913.db2.gz VYHMLASEASECHZ-OAHLLOKOSA-N 1 0 390.474 4.297 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c2ccccc2O1 ZINC000574959707 823872352 /nfs/dbraw/zinc/87/23/52/823872352.db2.gz PQUNNGDVXUQOGF-VWFIUDSGSA-N 1 0 399.560 4.343 20 0 GIADRO CCCOc1ccc(C(=O)N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)cc1OCC ZINC000064725680 823872455 /nfs/dbraw/zinc/87/24/55/823872455.db2.gz XACMNDPLGUIGJA-WSTZPKSXSA-N 1 0 388.552 4.352 20 0 GIADRO C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)C(=O)Nc1ccc(Cl)cc1 ZINC000192136299 823873841 /nfs/dbraw/zinc/87/38/41/823873841.db2.gz DLVIHAWQMQIUFZ-FJNPEDAXSA-N 1 0 380.822 4.065 20 0 GIADRO CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3cc(O)cc(C(F)(F)F)c3)ccc2NC1=O ZINC000574964546 823874163 /nfs/dbraw/zinc/87/41/63/823874163.db2.gz KLQSVCMKZPRWOE-GTNSWQLSSA-N 1 0 394.393 4.371 20 0 GIADRO O=C(Nc1cccc(C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)c1)[C@@H]1CCCO1 ZINC000166302759 823874543 /nfs/dbraw/zinc/87/45/43/823874543.db2.gz VNAHHUKCHRQCIK-PTUXOGIPSA-N 1 0 394.515 4.062 20 0 GIADRO COc1ccc([C@@H](Cc2ccccc2)[NH2+]Cc2cccnc2-n2cccn2)cc1 ZINC000574965297 823874926 /nfs/dbraw/zinc/87/49/26/823874926.db2.gz KSMQOODNUZJETC-HSZRJFAPSA-N 1 0 384.483 4.350 20 0 GIADRO Cc1cc(C)n(-c2ccc(CN[C@H]3CC[N@@H+]4CCC[C@@H]4C3)c(C(F)(F)F)c2)n1 ZINC000166313753 823875365 /nfs/dbraw/zinc/87/53/65/823875365.db2.gz RATHIKBATHHYGY-ZWKOTPCHSA-N 1 0 392.469 4.224 20 0 GIADRO CCOCCC1(C[NH2+]Cc2c(C)nn(Cc3ccc(Cl)cc3)c2C)CC1 ZINC000126466032 823875338 /nfs/dbraw/zinc/87/53/38/823875338.db2.gz JEWTWZCILXUZMW-UHFFFAOYSA-N 1 0 375.944 4.498 20 0 GIADRO OC1(c2ccc(Br)cc2)CC[NH+](Cc2cnc3ccccc3c2)CC1 ZINC000166347223 823875878 /nfs/dbraw/zinc/87/58/78/823875878.db2.gz STXZAHMFRSSTHW-UHFFFAOYSA-N 1 0 397.316 4.481 20 0 GIADRO CN(C)C(=O)c1cccc(C[N@@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)c1 ZINC000126469190 823876326 /nfs/dbraw/zinc/87/63/26/823876326.db2.gz LHHWKXMOUBFWNW-KRWDZBQOSA-N 1 0 393.314 4.349 20 0 GIADRO Cc1cc(Cl)ccc1NC(=O)[C@H](C)[NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192140340 823876750 /nfs/dbraw/zinc/87/67/50/823876750.db2.gz YOGORJLELJKXKQ-YXKWSERDSA-N 1 0 394.849 4.373 20 0 GIADRO CC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2cccc(N3CCCC3)c2)c1 ZINC000126472639 823877295 /nfs/dbraw/zinc/87/72/95/823877295.db2.gz HOKUGZUYTCLRTC-SJORKVTESA-N 1 0 379.504 4.167 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1c(Cl)c2ccccc2n1C ZINC000126478274 823879002 /nfs/dbraw/zinc/87/90/02/823879002.db2.gz RMJRIHAARPLFGO-UHFFFAOYSA-N 1 0 396.922 4.215 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)c2cnn(-c3ccccn3)c2C)cc1 ZINC000166669476 823880344 /nfs/dbraw/zinc/88/03/44/823880344.db2.gz NVNNYOQCMKQJFD-SJORKVTESA-N 1 0 386.503 4.482 20 0 GIADRO COc1ccc(C)cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(N2CCCC2)c1 ZINC000126486879 823881366 /nfs/dbraw/zinc/88/13/66/823881366.db2.gz YHIRBMQXVBDMTR-MSOLQXFVSA-N 1 0 381.520 4.282 20 0 GIADRO CCCCCOc1ccc([C@@H](C)[NH2+]C[C@H]2CC3(CCC3)C(=O)O2)cc1OC ZINC000192151441 823882018 /nfs/dbraw/zinc/88/20/18/823882018.db2.gz LVOTYDVNYUGTTM-SJLPKXTDSA-N 1 0 375.509 4.401 20 0 GIADRO CCOC(=O)c1oc2ccccc2c1C[NH+]1CCC(c2noc(C3CC3)n2)CC1 ZINC000462226993 823882115 /nfs/dbraw/zinc/88/21/15/823882115.db2.gz BECYJUXGPHZZEW-UHFFFAOYSA-N 1 0 395.459 4.250 20 0 GIADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C)c2cccc(Br)c2)C1 ZINC000462228972 823883112 /nfs/dbraw/zinc/88/31/12/823883112.db2.gz CEEWLLLYMBIENT-HOTGVXAUSA-N 1 0 381.358 4.037 20 0 GIADRO FC(F)(F)Oc1cccc(N2CC[C@H]([NH2+]Cc3cc4cccnc4o3)C2)c1 ZINC000574997938 823883407 /nfs/dbraw/zinc/88/34/07/823883407.db2.gz FNQLYBXIHDVAKY-AWEZNQCLSA-N 1 0 377.366 4.095 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(-n3ccnc3C)nc2)cc1OCC ZINC000126494669 823883666 /nfs/dbraw/zinc/88/36/66/823883666.db2.gz HVSPHRPZPLZSFV-INIZCTEOSA-N 1 0 380.492 4.224 20 0 GIADRO Cc1nccn1-c1ccc(C[NH2+][C@H](C)c2ccc(OC(F)(F)F)cc2)cn1 ZINC000126498688 823884700 /nfs/dbraw/zinc/88/47/00/823884700.db2.gz YAKQRKGWWVREKP-CYBMUJFWSA-N 1 0 376.382 4.325 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1ccccc1Br ZINC000462232258 823885691 /nfs/dbraw/zinc/88/56/91/823885691.db2.gz HPGDPVBNTNVHCZ-KBXCAEBGSA-N 1 0 388.309 4.091 20 0 GIADRO CC1(C(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000167088414 823885780 /nfs/dbraw/zinc/88/57/80/823885780.db2.gz DIOODFICHPWSIU-XZOQPEGZSA-N 1 0 392.543 4.325 20 0 GIADRO Cc1onc(-c2ccc(F)cc2)c1C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000064801112 823887694 /nfs/dbraw/zinc/88/76/94/823887694.db2.gz LUZPAGWICRFZCV-HUUCEWRRSA-N 1 0 387.499 4.275 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2ccc(C)cc2OC[C@@H]2CCOC2)c1 ZINC000167160971 823887772 /nfs/dbraw/zinc/88/77/72/823887772.db2.gz LIRMPNIYCYQITN-IEBWSBKVSA-N 1 0 382.504 4.220 20 0 GIADRO CC(C)[N@H+](CCC(=O)N1CCOCC1)Cc1ccc(-c2ccc(F)cc2)s1 ZINC000064801765 823887956 /nfs/dbraw/zinc/88/79/56/823887956.db2.gz GGIGZRPWQFCDPF-UHFFFAOYSA-N 1 0 390.524 4.014 20 0 GIADRO COCc1cc([C@H](C)[NH2+]Cc2ccc(C)cc2OC[C@@H]2CCOC2)ccc1OC ZINC000167202504 823888645 /nfs/dbraw/zinc/88/86/45/823888645.db2.gz AHERMLIJNHDENO-RBUKOAKNSA-N 1 0 399.531 4.416 20 0 GIADRO FC(F)(F)CN1CCC([NH2+]Cc2ccc(Br)c(Cl)c2)CC1 ZINC000192166896 823889195 /nfs/dbraw/zinc/88/91/95/823889195.db2.gz SDWXUWNPJWCCCI-UHFFFAOYSA-N 1 0 385.655 4.219 20 0 GIADRO O=C(CCCCc1ccc(Cl)c(Cl)c1)N1CC[NH+](C2CCOCC2)CC1 ZINC000126518259 823889435 /nfs/dbraw/zinc/88/94/35/823889435.db2.gz WHTLIJQYQMJFCZ-UHFFFAOYSA-N 1 0 399.362 4.029 20 0 GIADRO COCCCOc1cc(C)ccc1C[NH2+][C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000167246117 823889392 /nfs/dbraw/zinc/88/93/92/823889392.db2.gz RNRUDVNSRFJAJQ-LJQANCHMSA-N 1 0 379.504 4.447 20 0 GIADRO C[C@H]1Cc2ccccc2[C@H]1[NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1 ZINC000167350297 823890362 /nfs/dbraw/zinc/89/03/62/823890362.db2.gz VEPDQMMNUJXGMA-SBUREZEXSA-N 1 0 386.499 4.426 20 0 GIADRO FC(F)(F)COc1ccccc1C[NH+]1CCC(c2noc(C3CC3)n2)CC1 ZINC000462239298 823890794 /nfs/dbraw/zinc/89/07/94/823890794.db2.gz RPJVOTOOPLSRJH-UHFFFAOYSA-N 1 0 381.398 4.268 20 0 GIADRO Cc1cc(C(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)c(Cl)cc1F ZINC000126529133 823891346 /nfs/dbraw/zinc/89/13/46/823891346.db2.gz NIAATCZVTHKMCR-UHFFFAOYSA-N 1 0 375.875 4.171 20 0 GIADRO C[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1 ZINC000167381737 823891436 /nfs/dbraw/zinc/89/14/36/823891436.db2.gz CDBLOJXMNFQSNK-KRWDZBQOSA-N 1 0 392.478 4.263 20 0 GIADRO O=C(NCc1ccncc1)Nc1cccc(C[NH2+][C@H]2CCC[C@H](C3CC3)C2)c1 ZINC000167410992 823891507 /nfs/dbraw/zinc/89/15/07/823891507.db2.gz DAAPIFQUFPTXSJ-SFTDATJTSA-N 1 0 378.520 4.462 20 0 GIADRO O=C(NCc1ccncc1)Nc1cccc(C[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)c1 ZINC000167411096 823891624 /nfs/dbraw/zinc/89/16/24/823891624.db2.gz DAAPIFQUFPTXSJ-NHCUHLMSSA-N 1 0 378.520 4.462 20 0 GIADRO O=C(NCC(F)(F)c1ccccc1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000462241220 823891898 /nfs/dbraw/zinc/89/18/98/823891898.db2.gz ZJYPIIBVYRFGNY-GOSISDBHSA-N 1 0 379.495 4.076 20 0 GIADRO O=C(c1cccc2c3c([nH]c21)CCCC3)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000126537856 823893362 /nfs/dbraw/zinc/89/33/62/823893362.db2.gz UFOIYIQTXASWKG-AOMKIAJQSA-N 1 0 377.532 4.136 20 0 GIADRO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3ccc(N4CCCCC4)c(Cl)c3)CC[C@@H]21 ZINC000167737775 823894688 /nfs/dbraw/zinc/89/46/88/823894688.db2.gz NGVPEBKOWUHGTM-LPHOPBHVSA-N 1 0 390.959 4.278 20 0 GIADRO COc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1cc(F)ccc1N1CCC(O)CC1)CC2 ZINC000167787335 823895020 /nfs/dbraw/zinc/89/50/20/823895020.db2.gz VLZRZWHHVVZZSZ-QRQCRPRQSA-N 1 0 384.495 4.134 20 0 GIADRO C[C@H](C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1cccc(Br)c1 ZINC000462246945 823895584 /nfs/dbraw/zinc/89/55/84/823895584.db2.gz NARGQCYTXXBRKW-GMBSWORKSA-N 1 0 391.353 4.028 20 0 GIADRO O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)N1CCCC[C@@H]1C(F)F ZINC000575036248 823895998 /nfs/dbraw/zinc/89/59/98/823895998.db2.gz ITGOWCVZUAMSLV-RTBURBONSA-N 1 0 379.495 4.118 20 0 GIADRO C[C@@H]([NH2+]C[C@H](c1c(F)cccc1Cl)N1CCCC1)c1cc2n(n1)CCC2 ZINC000414054918 823896784 /nfs/dbraw/zinc/89/67/84/823896784.db2.gz CADHDZHGKYCARI-AUUYWEPGSA-N 1 0 376.907 4.110 20 0 GIADRO C=Cc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)NCC[NH+](CC)CC)c2)cc1 ZINC000192189987 823896979 /nfs/dbraw/zinc/89/69/79/823896979.db2.gz KHFBTIZCJSUXIM-UHFFFAOYSA-N 1 0 399.922 4.307 20 0 GIADRO C[NH+](C)CCN(C(=O)Nc1cccc(-c2ncc3n2CCCC3)c1)C1CCCC1 ZINC000575038199 823897103 /nfs/dbraw/zinc/89/71/03/823897103.db2.gz OJKXGXAYCVWTSQ-UHFFFAOYSA-N 1 0 395.551 4.225 20 0 GIADRO Cc1ccn(-c2ccccc2C[NH2+]C[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)n1 ZINC000575040364 823897812 /nfs/dbraw/zinc/89/78/12/823897812.db2.gz VJBQCRAVCLAXIA-UTKZUKDTSA-N 1 0 399.922 4.062 20 0 GIADRO CCc1ccc(Cl)c(CC)c1NC(=O)CCC[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000575043336 823898498 /nfs/dbraw/zinc/89/84/98/823898498.db2.gz VMCNXLCSCOWKBF-APWZRJJASA-N 1 0 378.944 4.294 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)N2CCC(c3c[nH]c4ncccc34)CC2)c1 ZINC000126560424 823898988 /nfs/dbraw/zinc/89/89/88/823898988.db2.gz HWMKXRFPMXZSAU-UHFFFAOYSA-N 1 0 377.492 4.036 20 0 GIADRO COc1cccc(C([NH2+]CC2CCC3(CC2)OCCO3)c2cccc(OC)c2)c1 ZINC000192200877 823900061 /nfs/dbraw/zinc/90/00/61/823900061.db2.gz JAAAGKLXZZKOFF-UHFFFAOYSA-N 1 0 397.515 4.316 20 0 GIADRO Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000575052061 823900161 /nfs/dbraw/zinc/90/01/61/823900161.db2.gz QAEFXXCDHVZMTK-UHFFFAOYSA-N 1 0 392.503 4.021 20 0 GIADRO CC(C)c1cccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000462254863 823900534 /nfs/dbraw/zinc/90/05/34/823900534.db2.gz KHGUGASOQNLGNY-KRWDZBQOSA-N 1 0 392.590 4.062 20 0 GIADRO Cc1noc(C)c1[C@H](C)[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000168161601 823900603 /nfs/dbraw/zinc/90/06/03/823900603.db2.gz JOWJBUJCWOZCJF-QWRGUYRKSA-N 1 0 380.286 4.122 20 0 GIADRO Fc1ccc(C2(C[NH2+]Cc3ccc(OC(F)F)c(F)c3)CCOCC2)cc1 ZINC000168155381 823900639 /nfs/dbraw/zinc/90/06/39/823900639.db2.gz NWAYJYSTLQHQEO-UHFFFAOYSA-N 1 0 383.385 4.404 20 0 GIADRO O[C@H](C[NH2+]Cc1ccc(OC(F)F)c(F)c1)c1ccc(OC(F)(F)F)cc1 ZINC000168195613 823900805 /nfs/dbraw/zinc/90/08/05/823900805.db2.gz USUQAKQLKVFARC-CQSZACIVSA-N 1 0 395.299 4.149 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCN(c2ncccc2F)C1)c1ccc(F)cc1Br ZINC000168148450 823900952 /nfs/dbraw/zinc/90/09/52/823900952.db2.gz PYIPRWUEFKHEIZ-YPMHNXCESA-N 1 0 382.252 4.052 20 0 GIADRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@@H](C)c1cccc(N2CCCC2)c1 ZINC000168331957 823901908 /nfs/dbraw/zinc/90/19/08/823901908.db2.gz MOVGWOUJVXZGSR-HOTGVXAUSA-N 1 0 386.927 4.403 20 0 GIADRO O=c1[nH]c(CN[C@H]2CCO[C@H]2c2ccc(Cl)cc2)nc2cc(Cl)ccc21 ZINC000575065823 823902450 /nfs/dbraw/zinc/90/24/50/823902450.db2.gz FNSDNIBYSPIHLI-YJBOKZPZSA-N 1 0 390.270 4.262 20 0 GIADRO CC(C)(C)OC(=O)NC1CCC([NH2+]Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC000168378933 823902625 /nfs/dbraw/zinc/90/26/25/823902625.db2.gz ZUXGWISKBJIUTG-UHFFFAOYSA-N 1 0 388.430 4.353 20 0 GIADRO Cc1cc(N(C)C)ccc1NC(=O)N(C)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000575068856 823903714 /nfs/dbraw/zinc/90/37/14/823903714.db2.gz FCDLQISBAHGHSO-UHFFFAOYSA-N 1 0 396.535 4.204 20 0 GIADRO COc1cc(C[NH2+][C@@H]2CCCOc3c(Cl)cc(C)cc32)ccc1OCCO ZINC000126578341 823903860 /nfs/dbraw/zinc/90/38/60/823903860.db2.gz OTBRUQDXASBYCO-GOSISDBHSA-N 1 0 391.895 4.032 20 0 GIADRO COc1ccc(OC(F)F)c(C[NH2+]Cc2ccc(OC(F)F)c(F)c2)c1 ZINC000168542297 823903918 /nfs/dbraw/zinc/90/39/18/823903918.db2.gz MJWAYZXNLNCPDQ-UHFFFAOYSA-N 1 0 377.309 4.327 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]C2CCN(C(=O)CCc3ccccc3)CC2)c(C)c1 ZINC000414081851 823904194 /nfs/dbraw/zinc/90/41/94/823904194.db2.gz VOXACUZHBWWWIS-LJQANCHMSA-N 1 0 380.532 4.278 20 0 GIADRO C[C@@H](C(=O)Nc1cccc(CN(C)Cc2cscn2)c1)[C@H]([NH3+])c1ccccc1 ZINC000168581652 823904288 /nfs/dbraw/zinc/90/42/88/823904288.db2.gz OZEAUVPLLAVRQB-IERDGZPVSA-N 1 0 394.544 4.050 20 0 GIADRO CC(C)OCc1cccc(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000462264353 823905490 /nfs/dbraw/zinc/90/54/90/823905490.db2.gz XESVIVGIEOWIRE-XMSQKQJNSA-N 1 0 381.520 4.254 20 0 GIADRO CC[C@H]([NH2+][C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1)[C@H]1C[C@@H]1C ZINC000414087232 823905926 /nfs/dbraw/zinc/90/59/26/823905926.db2.gz BELXCUQGLMRWCA-FXLVCCLPSA-N 1 0 375.509 4.343 20 0 GIADRO O=C(Nc1ccccc1)Nc1cccc2c1CC[N@H+](CCO[C@@H]1CCCCO1)C2 ZINC000575078869 823906223 /nfs/dbraw/zinc/90/62/23/823906223.db2.gz LORKNFHDPMKBCO-JOCHJYFZSA-N 1 0 395.503 4.232 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000126588507 823906324 /nfs/dbraw/zinc/90/63/24/823906324.db2.gz YNPHCIPIDXTCMC-UHFFFAOYSA-N 1 0 378.303 4.377 20 0 GIADRO C[C@H](CC[S@](C)=O)[NH2+][C@H](c1ccccc1)c1cccc(Br)c1 ZINC000414093434 823907524 /nfs/dbraw/zinc/90/75/24/823907524.db2.gz NZEZKVMMCSKYMT-KEQGGVEFSA-N 1 0 380.351 4.285 20 0 GIADRO Cc1noc(-c2ccccc2)c1NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000126595906 823907547 /nfs/dbraw/zinc/90/75/47/823907547.db2.gz LMOCOCIDLVZCOC-QGZVFWFLSA-N 1 0 380.448 4.202 20 0 GIADRO C[C@H]([NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1)[C@H]1C[C@H]1C ZINC000414092083 823907630 /nfs/dbraw/zinc/90/76/30/823907630.db2.gz MHFRNRUTOQTOCV-MHWYNOHBSA-N 1 0 379.472 4.092 20 0 GIADRO CCCN(CC[NH+]1CCCCCC1)Cc1nc2sc(C)c(C)c2c(=O)[nH]1 ZINC000575090103 823908691 /nfs/dbraw/zinc/90/86/91/823908691.db2.gz LKTJRJPXCSPIDV-UHFFFAOYSA-N 1 0 376.570 4.102 20 0 GIADRO COc1ccc(OCc2nc(C[NH2+][C@H](C)[C@@H]3COc4ccccc43)cs2)cc1 ZINC000169133807 823908860 /nfs/dbraw/zinc/90/88/60/823908860.db2.gz YDZIKHFKZVLHHJ-QRWLVFNGSA-N 1 0 396.512 4.385 20 0 GIADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)[NH2+][C@H](C)c1cc2n(n1)CCC2 ZINC000414098021 823909282 /nfs/dbraw/zinc/90/92/82/823909282.db2.gz JMJJHQLPHUPNBT-VBHSOAQHSA-N 1 0 378.314 4.019 20 0 GIADRO Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=O)C1([NH3+])CCCCC1 ZINC000169219267 823909823 /nfs/dbraw/zinc/90/98/23/823909823.db2.gz KEMZUZOWVMECTG-UHFFFAOYSA-N 1 0 380.467 4.288 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)c(C)c1 ZINC000414106482 823911392 /nfs/dbraw/zinc/91/13/92/823911392.db2.gz IMDFWPSPMAIYPW-MAUKXSAKSA-N 1 0 380.467 4.067 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2)c(C)c1 ZINC000414117998 823913352 /nfs/dbraw/zinc/91/33/52/823913352.db2.gz UDJNSUVEZLVWPK-MSOLQXFVSA-N 1 0 384.520 4.198 20 0 GIADRO COCc1ccc(C[NH2+]CC2(c3ccc(Br)cc3)CCOCC2)o1 ZINC000126628515 823914610 /nfs/dbraw/zinc/91/46/10/823914610.db2.gz MXWHUBMPPQXYNG-UHFFFAOYSA-N 1 0 394.309 4.027 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CCCc2nnc(SC)n2CC(C)C)c(C)c1 ZINC000414126227 823914921 /nfs/dbraw/zinc/91/49/21/823914921.db2.gz RCGNWUXPUADVEX-INIZCTEOSA-N 1 0 376.570 4.256 20 0 GIADRO CC(C)(C)S(=O)(=O)N1CCC([NH2+][C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000414128312 823915281 /nfs/dbraw/zinc/91/52/81/823915281.db2.gz GWXHQXRZHUWTSR-VQIMIIECSA-N 1 0 399.000 4.158 20 0 GIADRO CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(C)c(F)c2)c1 ZINC000126634807 823915851 /nfs/dbraw/zinc/91/58/51/823915851.db2.gz AZPKCKPGOMRIAZ-IAGOWNOFSA-N 1 0 399.510 4.294 20 0 GIADRO C[C@@H]([NH2+]CCc1nnc2n1CCCCC2)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000126633029 823915925 /nfs/dbraw/zinc/91/59/25/823915925.db2.gz BWBLVBJNMMNFSI-ZIAGYGMSSA-N 1 0 397.350 4.299 20 0 GIADRO C[C@H]([NH3+])c1ccc(OCC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)cc1 ZINC000575116248 823916119 /nfs/dbraw/zinc/91/61/19/823916119.db2.gz QPZFPFMODFKUNV-AWEZNQCLSA-N 1 0 392.421 4.295 20 0 GIADRO Cc1ccc(Cl)cc1S(=O)(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000462301251 823916795 /nfs/dbraw/zinc/91/67/95/823916795.db2.gz VQTRZAHHVOXOQS-KDOFPFPSSA-N 1 0 398.981 4.071 20 0 GIADRO CCCN(CC(C)(C)O)C(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000575121512 823917656 /nfs/dbraw/zinc/91/76/56/823917656.db2.gz UJGDMCHEGREDPC-UHFFFAOYSA-N 1 0 393.597 4.279 20 0 GIADRO CC(C)CN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccccc1-c1ccccc1 ZINC000064954649 823918340 /nfs/dbraw/zinc/91/83/40/823918340.db2.gz NSGNGOXTZNLQHK-UHFFFAOYSA-N 1 0 386.561 4.095 20 0 GIADRO c1c2c(cc3c1OCCC[C@H]3[NH2+]CCCc1nnc3n1CCCCC3)CCCC2 ZINC000126645547 823918308 /nfs/dbraw/zinc/91/83/08/823918308.db2.gz KPUMADDQLURCKP-OAQYLSRUSA-N 1 0 394.563 4.319 20 0 GIADRO CC(C)(C)C[C@@H]([NH2+]CC1(S(C)(=O)=O)CC1)c1ccc(Br)cc1 ZINC000414155770 823919417 /nfs/dbraw/zinc/91/94/17/823919417.db2.gz TXHCUIIYJVCOFA-OAHLLOKOSA-N 1 0 388.371 4.093 20 0 GIADRO CC[C@H]([NH2+]C1CCN([C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1)[C@H]1CC1(C)C ZINC000414152603 823919528 /nfs/dbraw/zinc/91/95/28/823919528.db2.gz RBABHQKWCOTQKY-HBGVWJBISA-N 1 0 392.609 4.030 20 0 GIADRO C[C@]1(O)CCOC[C@@H]1[C@@H]1CCC[N@@H+]1[C@H](c1ccc(Cl)cc1)C1CCOCC1 ZINC000575134565 823920217 /nfs/dbraw/zinc/92/02/17/823920217.db2.gz BTZHSKSLGRXYSK-MBDNFAEBSA-N 1 0 393.955 4.060 20 0 GIADRO C[C@@H](CC(=O)NCC1CC[NH+](C2CC2)CC1)c1ccc(F)c(Br)c1 ZINC000462313845 823921743 /nfs/dbraw/zinc/92/17/43/823921743.db2.gz JKNJXGRGRDFMFD-ZDUSSCGKSA-N 1 0 397.332 4.072 20 0 GIADRO C[N@@H+]1CC[C@]2(C[C@H]1c1ccccc1)Nc1ccccc1C(=O)N2Cc1cccnc1 ZINC000414173456 823922533 /nfs/dbraw/zinc/92/25/33/823922533.db2.gz GGXNCHNPSAEBBZ-ZCYQVOJMSA-N 1 0 398.510 4.313 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)c2ccc(-n3cc[nH]c3=S)cc2)[NH+]2CCCC2)o1 ZINC000170633729 823922685 /nfs/dbraw/zinc/92/26/85/823922685.db2.gz FMFRUORBEARXBN-GOSISDBHSA-N 1 0 396.516 4.003 20 0 GIADRO C[C@@H](c1ccc(Br)cc1)N1CC[NH+](CCCc2ccncc2)CC1 ZINC000462319006 823923244 /nfs/dbraw/zinc/92/32/44/823923244.db2.gz GOPWOZUDYMHANP-KRWDZBQOSA-N 1 0 388.353 4.156 20 0 GIADRO COc1cc([C@@H](C)[NH2+]Cc2ccc(-c3ccc(C)cc3)o2)ccc1OCCO ZINC000126668305 823923486 /nfs/dbraw/zinc/92/34/86/823923486.db2.gz NFMTWGJOOWUSDF-QGZVFWFLSA-N 1 0 381.472 4.486 20 0 GIADRO COc1ccc(CCC[NH2+]Cc2ccc(Br)cc2F)cc1OC ZINC000065014443 823924105 /nfs/dbraw/zinc/92/41/05/823924105.db2.gz BWNGGRFCSVOWNQ-UHFFFAOYSA-N 1 0 382.273 4.328 20 0 GIADRO COc1ccc(C[C@H]([NH2+]C[C@@H]2CNC(=O)C2)c2cc(Cl)ccc2Cl)cc1 ZINC000414188730 823924808 /nfs/dbraw/zinc/92/48/08/823924808.db2.gz DXMFAJQOYRBCGA-KUHUBIRLSA-N 1 0 393.314 4.012 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(C(C)=O)c[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000065015331 823924814 /nfs/dbraw/zinc/92/48/14/823924814.db2.gz OVIBOGLJIIIRSX-SFHVURJKSA-N 1 0 395.425 4.049 20 0 GIADRO COc1ccc(CCC(=O)N2CCC[N@@H+]([C@@H](C)c3cccc(F)c3)CC2)cc1 ZINC000170646368 823924830 /nfs/dbraw/zinc/92/48/30/823924830.db2.gz VQRYXMJPXJBWSY-SFHVURJKSA-N 1 0 384.495 4.062 20 0 GIADRO C[C@@H]1C[C@@H](N[C@H](c2nccn2C)c2ccccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000575152195 823925100 /nfs/dbraw/zinc/92/51/00/823925100.db2.gz NXVYUJFNYNPUOF-RFWXGWTQSA-N 1 0 392.522 4.291 20 0 GIADRO CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](Cc2ccc(Cl)c3cccnc23)C1 ZINC000170647462 823925782 /nfs/dbraw/zinc/92/57/82/823925782.db2.gz SBFPPCFSYKGCLZ-CQSZACIVSA-N 1 0 375.900 4.235 20 0 GIADRO Cc1cc(NC(=O)[C@@H](C)[N@H+](C)CCCCCc2cc(-c3ccccc3)no2)on1 ZINC000170648608 823926629 /nfs/dbraw/zinc/92/66/29/823926629.db2.gz BNIDBEHXSUKBNX-QGZVFWFLSA-N 1 0 396.491 4.310 20 0 GIADRO Cn1ccnc1COc1ccc(C[NH+]2CCC(Nc3ccc(F)cc3)CC2)cc1 ZINC000170650811 823927407 /nfs/dbraw/zinc/92/74/07/823927407.db2.gz UPCAHVJUHFYBLZ-UHFFFAOYSA-N 1 0 394.494 4.215 20 0 GIADRO C[C@H](N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000126689549 823927742 /nfs/dbraw/zinc/92/77/42/823927742.db2.gz BVJLCFCTWOVFJA-GJZGRUSLSA-N 1 0 377.454 4.268 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)c1 ZINC000414204227 823928168 /nfs/dbraw/zinc/92/81/68/823928168.db2.gz BBUOHIYCDGQDEG-QGZVFWFLSA-N 1 0 384.328 4.044 20 0 GIADRO CN(C(=O)c1ccc(-c2ccccc2)cc1)C1CC[NH+](C2CCOCC2)CC1 ZINC000065039829 823928821 /nfs/dbraw/zinc/92/88/21/823928821.db2.gz KHZONLANZCAAOY-UHFFFAOYSA-N 1 0 378.516 4.069 20 0 GIADRO O=C(CC1CCCC1)N1CCC[N@H+](CCOc2cccc3ccccc32)CC1 ZINC000065040928 823929405 /nfs/dbraw/zinc/92/94/05/823929405.db2.gz UTAKUZZTEXSSEF-UHFFFAOYSA-N 1 0 380.532 4.333 20 0 GIADRO C[C@H]([NH2+]C1CCN(Cc2ccccc2Br)CC1)c1nccs1 ZINC000414212283 823930383 /nfs/dbraw/zinc/93/03/83/823930383.db2.gz QSQDRLKWJSJECE-ZDUSSCGKSA-N 1 0 380.355 4.221 20 0 GIADRO CCOC(=O)CC[N@H+](Cc1cccnc1)Cc1cccc(Br)c1C ZINC000462339205 823930573 /nfs/dbraw/zinc/93/05/73/823930573.db2.gz YBSWZWRPFKIGAN-UHFFFAOYSA-N 1 0 391.309 4.108 20 0 GIADRO CCOc1ccccc1Oc1ccc(C[NH2+]C[C@@H](O)Cc2ccc(F)cc2)cn1 ZINC000575174811 823931732 /nfs/dbraw/zinc/93/17/32/823931732.db2.gz UQNXVBZIXINTTI-FQEVSTJZSA-N 1 0 396.462 4.105 20 0 GIADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Nc1c(F)cc(F)cc1Br ZINC000192281664 823931919 /nfs/dbraw/zinc/93/19/19/823931919.db2.gz SOAHFSQTKLPXGM-GFCCVEGCSA-N 1 0 390.272 4.065 20 0 GIADRO COc1cc([C@@H](C)[NH2+]CCCc2ccncc2)ccc1OCc1ccncc1 ZINC000462345388 823933518 /nfs/dbraw/zinc/93/35/18/823933518.db2.gz XLQFDMYADXDTMX-GOSISDBHSA-N 1 0 377.488 4.348 20 0 GIADRO CO[C@@](C)([C@@H](C)[NH2+][C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1)C1CC1 ZINC000414229886 823934550 /nfs/dbraw/zinc/93/45/50/823934550.db2.gz FSNMLQHAUBIFRR-ZOCZFRKYSA-N 1 0 379.566 4.257 20 0 GIADRO CCC[NH+]1CCN(c2ccc(NC(=O)c3cnc(CC)s3)cc2Cl)CC1 ZINC000065068243 823934595 /nfs/dbraw/zinc/93/45/95/823934595.db2.gz LNWNBHMCANZJJB-UHFFFAOYSA-N 1 0 392.956 4.143 20 0 GIADRO Cc1ccc([C@H]([NH2+][C@@H]2CS[C@H](C)C2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000414233958 823935253 /nfs/dbraw/zinc/93/52/53/823935253.db2.gz RRLOKZFDNNROCT-PLMTUMEDSA-N 1 0 389.586 4.280 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)N[C@H](c1ccccc1)[C@H]1CCCO1 ZINC000170679737 823935596 /nfs/dbraw/zinc/93/55/96/823935596.db2.gz WJLQVFRUVLKVNQ-DHIUTWEWSA-N 1 0 393.531 4.002 20 0 GIADRO CC(=O)Nc1ccc(F)c(C(=O)Nc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)c1 ZINC000065072341 823935969 /nfs/dbraw/zinc/93/59/69/823935969.db2.gz FIINHOBIMKIKSR-OAHLLOKOSA-N 1 0 383.467 4.411 20 0 GIADRO O=C([C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000126728601 823937099 /nfs/dbraw/zinc/93/70/99/823937099.db2.gz FPPJCVUEZFDBKM-CGTJXYLNSA-N 1 0 396.453 4.166 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@H](C)[C@H](C)c2nc3ccccc3s2)cn1 ZINC000414244217 823938765 /nfs/dbraw/zinc/93/87/65/823938765.db2.gz KVNKGNJRGMOAQN-KSVNGYGVSA-N 1 0 384.549 4.372 20 0 GIADRO Cc1onc(C2CC2)c1C(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000575207798 823939152 /nfs/dbraw/zinc/93/91/52/823939152.db2.gz QVQQRBAVADAZCO-IYBDPMFKSA-N 1 0 381.520 4.268 20 0 GIADRO C[C@H]([NH2+]CCC(C)(C)S(C)(=O)=O)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000414247297 823939852 /nfs/dbraw/zinc/93/98/52/823939852.db2.gz DNGZFTCJUNPXJK-INIZCTEOSA-N 1 0 393.524 4.269 20 0 GIADRO Brc1ccc2ncc(C[NH2+]CCOc3ccc4ccccc4c3)n2c1 ZINC000462361243 823940768 /nfs/dbraw/zinc/94/07/68/823940768.db2.gz RRMIXGFVPNYBPY-UHFFFAOYSA-N 1 0 396.288 4.419 20 0 GIADRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccco1)c1nc(-c2ccccc2)cs1 ZINC000126749491 823941358 /nfs/dbraw/zinc/94/13/58/823941358.db2.gz LWEIBKLQIDQOSP-MRXNPFEDSA-N 1 0 398.532 4.238 20 0 GIADRO Cc1cc(C[NH2+]C[C@@H](c2ccccc2)N2CCC(C)CC2)ccc1-n1cncn1 ZINC000462362711 823941571 /nfs/dbraw/zinc/94/15/71/823941571.db2.gz XATDOPZLKYXKDC-DEOSSOPVSA-N 1 0 389.547 4.139 20 0 GIADRO O=C(c1cc(-c2cccc(Cl)c2)no1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000126750638 823941892 /nfs/dbraw/zinc/94/18/92/823941892.db2.gz UYEWESQOEYLNMU-DNVCBOLYSA-N 1 0 385.895 4.084 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@@H](C)c2ccc(OCC(F)(F)F)cc2)cn1 ZINC000414254410 823942512 /nfs/dbraw/zinc/94/25/12/823942512.db2.gz UTEWXKHFGIMXOV-URLQWDBASA-N 1 0 397.441 4.273 20 0 GIADRO CN(CCCC[NH2+]Cc1cc2c(cc1OC(F)F)OCO2)c1ccccc1 ZINC000462367549 823944030 /nfs/dbraw/zinc/94/40/30/823944030.db2.gz MCISBALELVGGMH-UHFFFAOYSA-N 1 0 378.419 4.023 20 0 GIADRO COc1ccccc1NC(=O)C[C@H](C)[NH2+]Cc1cc(C)ccc1Br ZINC000414259560 823944240 /nfs/dbraw/zinc/94/42/40/823944240.db2.gz MPXKNVLGQSYEBK-AWEZNQCLSA-N 1 0 391.309 4.273 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@H](C)c2cc(C)c(Br)s2)cn1 ZINC000414259689 823944448 /nfs/dbraw/zinc/94/44/48/823944448.db2.gz YIKGHDNUCFROHM-DVOMOZLQSA-N 1 0 398.370 4.464 20 0 GIADRO C[C@H]([NH2+]CCC(C)(C)S(C)(=O)=O)c1ccc(Oc2ccccc2)c(F)c1 ZINC000414262970 823945090 /nfs/dbraw/zinc/94/50/90/823945090.db2.gz OSXOZPVUPGFHGN-HNNXBMFYSA-N 1 0 379.497 4.482 20 0 GIADRO C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]Cc1nccc(C(F)(F)F)n1 ZINC000414263715 823945135 /nfs/dbraw/zinc/94/51/35/823945135.db2.gz SQRATIPAPOTMMN-NSHDSACASA-N 1 0 375.341 4.208 20 0 GIADRO C[C@H]1C[NH+](CC2CCN(C(=O)CCCc3ccccc3Cl)CC2)C[C@H](C)O1 ZINC000575222691 823945310 /nfs/dbraw/zinc/94/53/10/823945310.db2.gz OGKVVQNUZZODLU-ROUUACIJSA-N 1 0 392.971 4.011 20 0 GIADRO Cc1ccccc1COc1ccc([C@@H](C)[NH2+]CCC(C)(C)S(C)(=O)=O)cc1 ZINC000414265416 823946133 /nfs/dbraw/zinc/94/61/33/823946133.db2.gz QLQWQMYLSHBNSU-GOSISDBHSA-N 1 0 389.561 4.438 20 0 GIADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cnc(-c2ccccc2Cl)s1 ZINC000065116173 823946121 /nfs/dbraw/zinc/94/61/21/823946121.db2.gz FOMFGNUREFEPAK-KBPBESRZSA-N 1 0 377.941 4.314 20 0 GIADRO O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N(Cc1ccco1)c1ccccn1 ZINC000170703680 823947280 /nfs/dbraw/zinc/94/72/80/823947280.db2.gz OITHGSXMAXFGOM-HXUWFJFHSA-N 1 0 375.472 4.120 20 0 GIADRO CC(C)c1c(NC(=O)N2CC[NH+](C3CCCC3)CC2)cnn1-c1ccccc1 ZINC000192329029 823947359 /nfs/dbraw/zinc/94/73/59/823947359.db2.gz VENAJGAAHOTMGE-UHFFFAOYSA-N 1 0 381.524 4.088 20 0 GIADRO CC(C)c1c(NC(=O)N2CCC([NH+]3CCCC3)CC2)cnn1-c1ccccc1 ZINC000192328974 823947539 /nfs/dbraw/zinc/94/75/39/823947539.db2.gz XNDDTOONFNWHJP-UHFFFAOYSA-N 1 0 381.524 4.088 20 0 GIADRO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1cccc(Br)c1F ZINC000192331333 823948391 /nfs/dbraw/zinc/94/83/91/823948391.db2.gz RZTISSZZNNAKRU-UHFFFAOYSA-N 1 0 377.257 4.436 20 0 GIADRO CC(=O)N1CC[C@H]([NH2+][C@H]2CCCc3nc(-c4ccc(Cl)cc4)sc32)C1 ZINC000575238191 823949013 /nfs/dbraw/zinc/94/90/13/823949013.db2.gz SHXMZVHDEVVBTG-HOTGVXAUSA-N 1 0 375.925 4.051 20 0 GIADRO C[C@H](C[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1)CC(F)(F)F ZINC000414279780 823950384 /nfs/dbraw/zinc/95/03/84/823950384.db2.gz JWPDSCDDJOWEFI-QWRGUYRKSA-N 1 0 381.236 4.344 20 0 GIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Cc2cccc(C(F)(F)F)c2)C1 ZINC000065140818 823950521 /nfs/dbraw/zinc/95/05/21/823950521.db2.gz LUVLLQCADNDNAP-KXBFYZLASA-N 1 0 376.422 4.200 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCN(C(=O)C2CCCC2)C1)c1ccc(SCC(F)F)cc1 ZINC000126788078 823951536 /nfs/dbraw/zinc/95/15/36/823951536.db2.gz BFRWCVKGPXAUKI-PBHICJAKSA-N 1 0 382.520 4.486 20 0 GIADRO CN(C)c1ncc(C[NH2+][C@H](c2cccs2)c2ccc3c(c2)CCCC3)n1C ZINC000414289857 823952045 /nfs/dbraw/zinc/95/20/45/823952045.db2.gz WHKCIVZDTALNJD-NRFANRHFSA-N 1 0 380.561 4.306 20 0 GIADRO CC(C)c1c(NC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cnn1-c1ccccc1 ZINC000192342037 823953136 /nfs/dbraw/zinc/95/31/36/823953136.db2.gz MFNFBPBKUCTGIN-IBGZPJMESA-N 1 0 395.551 4.335 20 0 GIADRO COc1ccccc1-c1nc(C2CC[NH+](CCc3ccc(F)c(F)c3)CC2)no1 ZINC000192342464 823953602 /nfs/dbraw/zinc/95/36/02/823953602.db2.gz HYQFYEHGRXRDJC-UHFFFAOYSA-N 1 0 399.441 4.446 20 0 GIADRO COCC1CCC([NH2+][C@@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)CC1 ZINC000414308673 823955040 /nfs/dbraw/zinc/95/50/40/823955040.db2.gz INBLWBCQWGDFOX-MUYFXNHWSA-N 1 0 379.566 4.259 20 0 GIADRO CCc1ncc(C[NH2+][C@H](C)c2ccc(OCc3ccccc3)c(OC)c2)cn1 ZINC000414306981 823955226 /nfs/dbraw/zinc/95/52/26/823955226.db2.gz ZPQUBDNOMDWJEG-QGZVFWFLSA-N 1 0 377.488 4.477 20 0 GIADRO Cc1c2cc(Br)ccc2sc1C(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000575328018 823956871 /nfs/dbraw/zinc/95/68/71/823956871.db2.gz IPHDRJZUNGVNTP-UONOGXRCSA-N 1 0 393.350 4.281 20 0 GIADRO CCOc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@H]2CCCc3c(O)cccc32)cc1 ZINC000192354602 823957175 /nfs/dbraw/zinc/95/71/75/823957175.db2.gz QVCCDPHWUUYDRH-VXKWHMMOSA-N 1 0 394.515 4.122 20 0 GIADRO O=C1CC[C@H](c2cccc(N[C@@H]3CC[N@H+](Cc4ccccc4)[C@H]4CCC[C@@H]43)c2)N1 ZINC000414317243 823957231 /nfs/dbraw/zinc/95/72/31/823957231.db2.gz OZABJVKTDNLDJY-YCAMKHIRSA-N 1 0 389.543 4.493 20 0 GIADRO CC[C@H]([NH2+]Cc1cn(-c2cccc(F)c2)nc1C)c1ccc2c(c1)OCCO2 ZINC000414322122 823957783 /nfs/dbraw/zinc/95/77/83/823957783.db2.gz UVWRUDOYSAYQEC-FQEVSTJZSA-N 1 0 381.451 4.332 20 0 GIADRO CC(C)c1sc(NC(=O)CN2CC[C@H]([NH+]3CCCC3)C2)nc1-c1ccccc1 ZINC000170740051 823958444 /nfs/dbraw/zinc/95/84/44/823958444.db2.gz LHYBEIWBKUYUKM-SFHVURJKSA-N 1 0 398.576 4.042 20 0 GIADRO CC(C)(C[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1)c1cccnc1 ZINC000414325946 823958689 /nfs/dbraw/zinc/95/86/89/823958689.db2.gz DIQGLSOORPSPGU-UHFFFAOYSA-N 1 0 375.919 4.406 20 0 GIADRO CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000192360476 823958931 /nfs/dbraw/zinc/95/89/31/823958931.db2.gz HHSJAAITTUEVIK-UGSOOPFHSA-N 1 0 392.455 4.335 20 0 GIADRO CCCN(C(=O)Nc1ccc2nc(Cc3ccccc3)oc2c1)C1CC[NH2+]CC1 ZINC000575350192 823959696 /nfs/dbraw/zinc/95/96/96/823959696.db2.gz HSYYDQIQFFYCBD-UHFFFAOYSA-N 1 0 392.503 4.415 20 0 GIADRO CC(C)c1cc(Br)ccc1NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000575350292 823960057 /nfs/dbraw/zinc/96/00/57/823960057.db2.gz SDEPNGPDFZOQFF-SFHVURJKSA-N 1 0 380.330 4.180 20 0 GIADRO CC(C)Oc1ccc([C@H](CNC(=O)[C@H]2SCCc3ccccc32)[NH+](C)C)cc1 ZINC000575352445 823960406 /nfs/dbraw/zinc/96/04/06/823960406.db2.gz POIHRLJARGYYTL-VXKWHMMOSA-N 1 0 398.572 4.223 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000414338313 823960686 /nfs/dbraw/zinc/96/06/86/823960686.db2.gz FBKSNJHOJJYBPI-FOIQADDNSA-N 1 0 382.483 4.039 20 0 GIADRO CCOc1c(Br)cc(C[NH2+][C@H](C)c2cccc(O)c2)cc1OC ZINC000192367730 823960942 /nfs/dbraw/zinc/96/09/42/823960942.db2.gz QSHMWPKKPMRSLM-GFCCVEGCSA-N 1 0 380.282 4.413 20 0 GIADRO C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CC1(CS(C)(=O)=O)CCC1 ZINC000414339547 823961297 /nfs/dbraw/zinc/96/12/97/823961297.db2.gz ZKNMHCRLAMZDPO-INIZCTEOSA-N 1 0 376.566 4.029 20 0 GIADRO CC[N@H+](CCC1CCN(C(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)CC1)CC1CC1 ZINC000575364164 823962023 /nfs/dbraw/zinc/96/20/23/823962023.db2.gz UPGGYEVMWNSKPF-YADHBBJMSA-N 1 0 387.543 4.225 20 0 GIADRO CC(C)[C@](C)([NH2+]CC(=O)N(C)c1nccs1)c1ccc(Br)cc1 ZINC000192373902 823963644 /nfs/dbraw/zinc/96/36/44/823963644.db2.gz BQVQDLJHKLFUKM-KRWDZBQOSA-N 1 0 396.354 4.029 20 0 GIADRO CCc1ncc(CNC[C@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)cn1 ZINC000414355560 823963613 /nfs/dbraw/zinc/96/36/13/823963613.db2.gz AHVVQBZATAWQON-XLIONFOSSA-N 1 0 392.469 4.231 20 0 GIADRO C[C@@H](Cc1cn(C)c2ccc(F)cc12)[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000414356080 823964095 /nfs/dbraw/zinc/96/40/95/823964095.db2.gz ZVVWWCLHBHAYGG-AWEZNQCLSA-N 1 0 385.449 4.255 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(N3CCCCC3)cc2)cc1F ZINC000170764694 823965191 /nfs/dbraw/zinc/96/51/91/823965191.db2.gz FTCLLJUUVOSQEM-MRXNPFEDSA-N 1 0 385.483 4.114 20 0 GIADRO C[C@@H]([NH2+]C[C@H]1CCCN(Cc2cccs2)C1)c1ccc(-n2ccnc2)cc1 ZINC000126853322 823966633 /nfs/dbraw/zinc/96/66/33/823966633.db2.gz AWXDWRIZQIDATI-RTBURBONSA-N 1 0 380.561 4.497 20 0 GIADRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)c2ccc3ncsc3c2)CC1 ZINC000170774907 823967530 /nfs/dbraw/zinc/96/75/30/823967530.db2.gz PBDJMLRITQABNZ-UHFFFAOYSA-N 1 0 379.529 4.281 20 0 GIADRO CC(C)c1cc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nn1-c1ccccc1 ZINC000126860320 823968579 /nfs/dbraw/zinc/96/85/79/823968579.db2.gz MMBQILHNFNKXCB-XMSQKQJNSA-N 1 0 392.547 4.085 20 0 GIADRO CC(C)c1cc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nn1-c1ccccc1 ZINC000126860902 823968710 /nfs/dbraw/zinc/96/87/10/823968710.db2.gz MMBQILHNFNKXCB-AVRDEDQJSA-N 1 0 392.547 4.085 20 0 GIADRO Cc1nc(-c2ccc(C)cc2C)sc1C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000126863497 823969113 /nfs/dbraw/zinc/96/91/13/823969113.db2.gz SQISKMDFWWFGCV-GOSISDBHSA-N 1 0 383.561 4.293 20 0 GIADRO Cc1nn(-c2cccc(F)c2)cc1C[NH+]1CCC(c2noc(C(C)C)n2)CC1 ZINC000414378438 823969351 /nfs/dbraw/zinc/96/93/51/823969351.db2.gz YXTWLWULLYVZBS-UHFFFAOYSA-N 1 0 383.471 4.206 20 0 GIADRO COc1ccc(CC[N@H+](Cc2ccsc2)Cc2ccc(C)nn2)cc1OC ZINC000414391853 823971272 /nfs/dbraw/zinc/97/12/72/823971272.db2.gz ALYSLWJUPZWQMB-UHFFFAOYSA-N 1 0 383.517 4.109 20 0 GIADRO COc1cc(C)c(S(=O)(=O)Nc2ccc(C[NH+](C)C)cc2F)cc1C(C)C ZINC000414391496 823971434 /nfs/dbraw/zinc/97/14/34/823971434.db2.gz BMLZRSANUUHUCJ-UHFFFAOYSA-N 1 0 394.512 4.129 20 0 GIADRO CC(C)[C@@H](C)[N@@H+]1Cc2cccc(N[C@@H](C)C(=O)Nc3ccnn3C(C)C)c2C1 ZINC000170790059 823971999 /nfs/dbraw/zinc/97/19/99/823971999.db2.gz SNMONXWWAYQOCB-DLBZAZTESA-N 1 0 383.540 4.263 20 0 GIADRO Cc1nc([C@@H]2CCCOC2)sc1C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000575447005 823972003 /nfs/dbraw/zinc/97/20/03/823972003.db2.gz TYCKXDCFCLWMEQ-GOSISDBHSA-N 1 0 399.560 4.236 20 0 GIADRO CN(C(=O)c1cnc(Cl)c(Cl)c1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000126877601 823972284 /nfs/dbraw/zinc/97/22/84/823972284.db2.gz PVGKDWKWIVOESF-UHFFFAOYSA-N 1 0 394.302 4.140 20 0 GIADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(OCc3ccncc3)cc2)CCN1Cc1ccccc1 ZINC000575495476 823974496 /nfs/dbraw/zinc/97/44/96/823974496.db2.gz NFQQNYNXPZNFFJ-CJFMBICVSA-N 1 0 387.527 4.413 20 0 GIADRO Cc1cc(=O)[nH]c2cc(C(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)ccc12 ZINC000575526234 823975166 /nfs/dbraw/zinc/97/51/66/823975166.db2.gz PPOIRCCEJWXDRO-UHFFFAOYSA-N 1 0 389.499 4.165 20 0 GIADRO O=C(NC1CC1)[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000126891932 823975400 /nfs/dbraw/zinc/97/54/00/823975400.db2.gz CRAMTEHHUSIDJX-KKSFZXQISA-N 1 0 393.462 4.166 20 0 GIADRO C[C@H](C(=O)N(C)CCC[N@H+](C)Cc1ccco1)c1cccc(Br)c1 ZINC000462440955 823976133 /nfs/dbraw/zinc/97/61/33/823976133.db2.gz NNQLCWVNFCHHLA-HNNXBMFYSA-N 1 0 393.325 4.126 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)N2CC3(CCOCC3)[C@@H]2c2ccccc2)c1 ZINC000414416203 823977151 /nfs/dbraw/zinc/97/71/51/823977151.db2.gz WHUOQXBEOFAVCI-NRFANRHFSA-N 1 0 379.504 4.134 20 0 GIADRO O=C(CCc1cccc(OC2CCCC2)c1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000170812171 823977873 /nfs/dbraw/zinc/97/78/73/823977873.db2.gz BJWZVMQRJKFSLN-UHFFFAOYSA-N 1 0 384.564 4.275 20 0 GIADRO O=C([C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000170812185 823977883 /nfs/dbraw/zinc/97/78/83/823977883.db2.gz VPYIMNFHQPEEHI-IAGOWNOFSA-N 1 0 381.347 4.431 20 0 GIADRO CN(C(=O)c1cccc(OC(F)F)c1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000126923125 823981709 /nfs/dbraw/zinc/98/17/09/823981709.db2.gz LNOUKVWDKGKEER-UHFFFAOYSA-N 1 0 390.430 4.039 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)Nc2cc(C(F)(F)F)ccn2)CC1 ZINC000192420632 823982769 /nfs/dbraw/zinc/98/27/69/823982769.db2.gz JJWLYSGXHWZFFK-UHFFFAOYSA-N 1 0 392.425 4.195 20 0 GIADRO CSCCc1ccc(NC(=O)NCc2ccc(Cn3ccnc3)cc2)cc1 ZINC000170830106 823983207 /nfs/dbraw/zinc/98/32/07/823983207.db2.gz LIBJYUDFUMARRF-UHFFFAOYSA-N 1 0 380.517 4.159 20 0 GIADRO CS(=O)(=O)c1ccc(C[NH2+]CC2(c3cccc(F)c3F)CCCC2)s1 ZINC000414429212 823983475 /nfs/dbraw/zinc/98/34/75/823983475.db2.gz CXWRWVUFNZLGRS-UHFFFAOYSA-N 1 0 385.501 4.031 20 0 GIADRO Cc1cc(Cl)cc(C)c1NC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000126936445 823984874 /nfs/dbraw/zinc/98/48/74/823984874.db2.gz YEFRLYHQEJBDQO-UHFFFAOYSA-N 1 0 386.923 4.413 20 0 GIADRO O=C(Nc1ccc2c(c1)OCO2)C1CC[NH+]([C@H]2CCCc3ccccc32)CC1 ZINC000170834570 823985160 /nfs/dbraw/zinc/98/51/60/823985160.db2.gz GVNJZEQDCNWDHX-FQEVSTJZSA-N 1 0 378.472 4.143 20 0 GIADRO CCC(CC)n1ncc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1C ZINC000126937826 823985264 /nfs/dbraw/zinc/98/52/64/823985264.db2.gz AJUSJSMERXWQRK-HTAPYJJXSA-N 1 0 382.552 4.193 20 0 GIADRO CC1CC[NH+](C[C@H]2CCCN(C(=O)Nc3cc(-c4ccccc4)on3)C2)CC1 ZINC000126940327 823985736 /nfs/dbraw/zinc/98/57/36/823985736.db2.gz IACCVIOMAOUWDT-GOSISDBHSA-N 1 0 382.508 4.317 20 0 GIADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2cc(C(F)(F)F)ccn2)C1 ZINC000192425516 823987534 /nfs/dbraw/zinc/98/75/34/823987534.db2.gz FFTCSBTUGPUFQK-GJZGRUSLSA-N 1 0 384.446 4.219 20 0 GIADRO Cc1cc(C[NH2+][C@H]2CCN(C(=O)Nc3ccccc3)C2)ccc1C(F)(F)F ZINC000414451727 823988019 /nfs/dbraw/zinc/98/80/19/823988019.db2.gz OFKUFJJUFQKJLI-KRWDZBQOSA-N 1 0 377.410 4.410 20 0 GIADRO Cc1cc(C[NH+](C)C)ccc1NS(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000414464395 823990125 /nfs/dbraw/zinc/99/01/25/823990125.db2.gz UJEPUFMJBIOIRM-UHFFFAOYSA-N 1 0 387.332 4.305 20 0 GIADRO Cc1cc(C[NH+](C)C)ccc1NS(=O)(=O)Cc1cccc(C(F)(F)F)c1 ZINC000414465690 823990204 /nfs/dbraw/zinc/99/02/04/823990204.db2.gz YEUQCAOCZXPQEL-UHFFFAOYSA-N 1 0 386.439 4.017 20 0 GIADRO CCO[C@H]1C[C@@H](N(C)Cc2nc3ccc(Cl)cc3c(=O)[nH]2)C12CCCC2 ZINC000575771033 823990220 /nfs/dbraw/zinc/99/02/20/823990220.db2.gz XECDKJDHEDTWAD-SJORKVTESA-N 1 0 375.900 4.158 20 0 GIADRO CN(C)C(=O)c1ccc(C(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000170850782 823991087 /nfs/dbraw/zinc/99/10/87/823991087.db2.gz IIGOZZLGZCECAD-UHFFFAOYSA-N 1 0 379.504 4.017 20 0 GIADRO FC[C@H]1C[N@H+](Cc2cnc(-c3ccc(Br)cc3)s2)CCCO1 ZINC000414474084 823991279 /nfs/dbraw/zinc/99/12/79/823991279.db2.gz CMXVFZRKKLLKEZ-AWEZNQCLSA-N 1 0 385.302 4.133 20 0 GIADRO CN(CCC[NH3+])C(=O)Nc1nc(C2CC2)c(Cc2ccccc2Cl)s1 ZINC000575775422 823991468 /nfs/dbraw/zinc/99/14/68/823991468.db2.gz JZLYHHCYLNCCLK-UHFFFAOYSA-N 1 0 378.929 4.077 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)[C@@H]1C[C@H]1c1ccccc1Cl ZINC000126968962 823991568 /nfs/dbraw/zinc/99/15/68/823991568.db2.gz POFRFVJWYVGVJD-LEWJYISDSA-N 1 0 398.934 4.287 20 0 GIADRO COCC[C@@H](C)C[NH2+]Cc1c(C)nn(-c2ccc(Br)cc2)c1C ZINC000414476499 823991963 /nfs/dbraw/zinc/99/19/63/823991963.db2.gz AFAZEFMKSHVSNE-CYBMUJFWSA-N 1 0 380.330 4.014 20 0 GIADRO COc1ccccc1-c1ccc(C[N@H+](CCCS(C)(=O)=O)C(C)C)cc1 ZINC000126972911 823992439 /nfs/dbraw/zinc/99/24/39/823992439.db2.gz FGVGQUMOHCKABE-UHFFFAOYSA-N 1 0 375.534 4.007 20 0 GIADRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)CC[C@@H](C)NC(=O)OC(C)(C)C ZINC000192435600 823992522 /nfs/dbraw/zinc/99/25/22/823992522.db2.gz NXUFTTPSGBNJAH-QGZVFWFLSA-N 1 0 389.540 4.223 20 0 GIADRO CCCNc1ccc(CNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000192437440 823992767 /nfs/dbraw/zinc/99/27/67/823992767.db2.gz UWNWDVCMWUEEHU-UHFFFAOYSA-N 1 0 380.536 4.104 20 0 GIADRO COc1cccc([C@@H](C)CC(=O)NC[C@@H](c2ccc(SC)cc2)[NH+](C)C)c1 ZINC000575779890 823992846 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4.458 20 0 GIADRO COc1cccc2c1CC[C@@H]([NH2+]CC1(N[C@@H](C)c3ccccc3)CCOCC1)C2 ZINC000192443152 823995182 /nfs/dbraw/zinc/99/51/82/823995182.db2.gz DYODYQOABSQLIB-SIKLNZKXSA-N 1 0 394.559 4.042 20 0 GIADRO CC[C@@H](CCO)C[NH2+][C@H](C)c1ccc(Br)cc1Br ZINC000126986713 823995349 /nfs/dbraw/zinc/99/53/49/823995349.db2.gz RVWADLYNTIMXIN-MNOVXSKESA-N 1 0 379.136 4.271 20 0 GIADRO COc1cccc2c1CC[C@H](Nc1ccc(N3CCC([NH+](C)C)CC3)cc1)C2 ZINC000192446979 823995854 /nfs/dbraw/zinc/99/58/54/823995854.db2.gz VLMRQAQAIYMDCH-FQEVSTJZSA-N 1 0 379.548 4.195 20 0 GIADRO COc1cc(C[NH2+]Cc2cc(Cl)cc(Br)c2)cc(OC)c1O ZINC000414502600 823996987 /nfs/dbraw/zinc/99/69/87/823996987.db2.gz KCQOMEIMNHQZSH-UHFFFAOYSA-N 1 0 386.673 4.115 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000170878317 823998394 /nfs/dbraw/zinc/99/83/94/823998394.db2.gz DQCOBHZYLSDJOC-INIZCTEOSA-N 1 0 386.565 4.163 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1cc2cc(F)ccc2o1 ZINC000127003233 823998617 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GIADRO COc1cc(F)c(C(=O)Nc2cccc3c2C[N@H+](CCC(C)C)C3)cc1OC ZINC000127011785 824000156 /nfs/dbraw/zinc/00/01/56/824000156.db2.gz HJWANRKQBHDEQZ-UHFFFAOYSA-N 1 0 386.467 4.457 20 0 GIADRO C[C@@H]1C[C@@H](C[NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)[C@H](C)O1 ZINC000414521416 824000672 /nfs/dbraw/zinc/00/06/72/824000672.db2.gz WDBTVZRXJRNMTL-DYEKYZERSA-N 1 0 381.339 4.476 20 0 GIADRO O=C(c1ccc(F)cc1)C1CC[NH+](Cc2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000192464596 824001366 /nfs/dbraw/zinc/00/13/66/824001366.db2.gz VTNXLELPZQNAPD-HSZRJFAPSA-N 1 0 397.490 4.478 20 0 GIADRO CC1CC[NH+](Cc2ccc(CNC(=O)N(Cc3cccnc3)C3CC3)cc2)CC1 ZINC000170890362 824001416 /nfs/dbraw/zinc/00/14/16/824001416.db2.gz PRQBAKKJHGWEPB-UHFFFAOYSA-N 1 0 392.547 4.188 20 0 GIADRO COc1cc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCCCC2)cc(OC)c1OC ZINC000414525046 824001642 /nfs/dbraw/zinc/00/16/42/824001642.db2.gz IZAKABWORDKIFD-QHCPKHFHSA-N 1 0 399.531 4.486 20 0 GIADRO CC[C@H]([NH2+][C@@H]1CCN(C(=O)C2CCCC2)C1)c1cccc(Br)c1 ZINC000127022171 824001858 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824007985 /nfs/dbraw/zinc/00/79/85/824007985.db2.gz GMGOAXKPWBICQJ-GUYCJALGSA-N 1 0 396.350 4.055 20 0 GIADRO CCCOc1c(Cl)cc(C[N@@H+]2CCC[C@@H](N3CCCC3=O)CC2)cc1OC ZINC000414548878 824008346 /nfs/dbraw/zinc/00/83/46/824008346.db2.gz KRVFJUFCLHEAAP-QGZVFWFLSA-N 1 0 394.943 4.114 20 0 GIADRO CC(C)(C[NH2+]Cc1ncc(Br)cc1Br)c1cccnc1 ZINC000414551041 824009547 /nfs/dbraw/zinc/00/95/47/824009547.db2.gz AOKNBOLKQBDRJJ-UHFFFAOYSA-N 1 0 399.130 4.069 20 0 GIADRO COc1ccc(C[NH2+]CC(C)(C)c2cccnc2)cc1OCc1cccnc1 ZINC000414550744 824009625 /nfs/dbraw/zinc/00/96/25/824009625.db2.gz AJXVVBANDLEOJH-UHFFFAOYSA-N 1 0 377.488 4.132 20 0 GIADRO COc1ccc(-c2ccccc2)cc1C[N@@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000414550507 824009848 /nfs/dbraw/zinc/00/98/48/824009848.db2.gz NIUAAYLTJUWRDA-QFIPXVFZSA-N 1 0 378.516 4.339 20 0 GIADRO COc1ccc(Cn2nc(C)c(C[NH2+]CC(C)(C)c3cccnc3)c2C)cc1 ZINC000414552601 824010341 /nfs/dbraw/zinc/01/03/41/824010341.db2.gz DIXINSIGRCQMTK-UHFFFAOYSA-N 1 0 378.520 4.019 20 0 GIADRO O=C1CCCN1[C@H]1CCC[N@H+](Cc2ccc(-n3cnc4ccccc43)cc2)CC1 ZINC000414555492 824010569 /nfs/dbraw/zinc/01/05/69/824010569.db2.gz UNNMYDMCROZQEQ-FQEVSTJZSA-N 1 0 388.515 4.002 20 0 GIADRO COCCOc1ccc(C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)cc1OC ZINC000414558383 824011850 /nfs/dbraw/zinc/01/18/50/824011850.db2.gz ORPWQBOALWXYPJ-HSZRJFAPSA-N 1 0 397.515 4.074 20 0 GIADRO C[C@@H]([NH2+]C1(CNC(=O)c2cnc([C@H]3CCCO3)s2)CCCC1)c1ccccc1 ZINC000127074144 824011860 /nfs/dbraw/zinc/01/18/60/824011860.db2.gz ZFQVGZPTRDCZLE-SJLPKXTDSA-N 1 0 399.560 4.388 20 0 GIADRO COc1ccc(F)c(C[NH2+]C[C@H]2CCN(c3cccc(Br)c3)C2)c1 ZINC000575851618 824012454 /nfs/dbraw/zinc/01/24/54/824012454.db2.gz DVICEQDMFQBFNH-CQSZACIVSA-N 1 0 393.300 4.213 20 0 GIADRO CSc1ccccc1OC[C@H](O)C[N@H+](Cc1cn(C(C)C)nc1C)C(C)C ZINC000414559559 824012605 /nfs/dbraw/zinc/01/26/05/824012605.db2.gz QCCLUYSSZILXDK-LJQANCHMSA-N 1 0 391.581 4.145 20 0 GIADRO C[C@@H](CC(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccc(F)cc1 ZINC000127080879 824013384 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20 0 GIADRO CCc1ncc(C[NH2+]C2CCN(Cc3cccc(Br)c3)CC2)s1 ZINC000414591432 824016614 /nfs/dbraw/zinc/01/66/14/824016614.db2.gz SGDSCRFVVHCHMG-UHFFFAOYSA-N 1 0 394.382 4.222 20 0 GIADRO C[C@@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)c1nc(-c2ccccc2)cs1 ZINC000170955871 824017334 /nfs/dbraw/zinc/01/73/34/824017334.db2.gz PPXXAZIMJBGMPC-SJLPKXTDSA-N 1 0 384.549 4.141 20 0 GIADRO COCCN(Cc1ccc(F)cc1Cl)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000170961783 824020025 /nfs/dbraw/zinc/02/00/25/824020025.db2.gz HPLCQCANHJSXQI-UHFFFAOYSA-N 1 0 393.890 4.221 20 0 GIADRO C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H](CCC(=O)[O-])Cc2ccccc2)CC1 ZINC000414665218 824021707 /nfs/dbraw/zinc/02/17/07/824021707.db2.gz UHWLQTVOJKEPIC-HYBUGGRVSA-N 1 0 394.559 4.148 20 0 GIADRO C[C@H]([NH2+]C1CCN(Cc2ccccc2Cl)CC1)c1ccc(-n2ccnn2)cc1 ZINC000575891039 824021900 /nfs/dbraw/zinc/02/19/00/824021900.db2.gz JGIQVEUZTJLWDY-KRWDZBQOSA-N 1 0 395.938 4.236 20 0 GIADRO CN(CCC(=O)NCc1ccc(-c2nc3ccccc3s2)o1)c1cc[nH+]cc1 ZINC000575893919 824022185 /nfs/dbraw/zinc/02/21/85/824022185.db2.gz ABMWSJMCGMXBNZ-UHFFFAOYSA-N 1 0 392.484 4.094 20 0 GIADRO CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H](CC(C)(C)C)c2ccc(F)cc2)c1 ZINC000414695085 824024630 /nfs/dbraw/zinc/02/46/30/824024630.db2.gz OUWXRLQLTWWQND-FQEVSTJZSA-N 1 0 399.510 4.167 20 0 GIADRO O=C(Nc1ccc(Br)cc1Cl)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000414707006 824025255 /nfs/dbraw/zinc/02/52/55/824025255.db2.gz BLBQVKCLPYBKNU-AWEZNQCLSA-N 1 0 386.721 4.098 20 0 GIADRO Cc1cccc(Oc2ccc(NC(=O)N3C[C@@H](C[NH3+])C4(C3)CCOCC4)cc2)c1 ZINC000414711332 824025488 /nfs/dbraw/zinc/02/54/88/824025488.db2.gz HOVZQQKWKGXMMU-GOSISDBHSA-N 1 0 395.503 4.007 20 0 GIADRO CO[C@H]1CCN(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)[C@H](C[NH3+])C1 ZINC000414714852 824025618 /nfs/dbraw/zinc/02/56/18/824025618.db2.gz VZEZWYSTLSYUMM-RDJZCZTQSA-N 1 0 389.883 4.102 20 0 GIADRO COc1ccc(Oc2ccc(Cl)cc2NC(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)cc1 ZINC000414722542 824027220 /nfs/dbraw/zinc/02/72/20/824027220.db2.gz GGETUSODRBRKCM-CXAGYDPISA-N 1 0 389.883 4.342 20 0 GIADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)C1 ZINC000414724353 824027885 /nfs/dbraw/zinc/02/78/85/824027885.db2.gz FAFQMQYAUSPBEL-DOTOQJQBSA-N 1 0 394.544 4.478 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000414728875 824029298 /nfs/dbraw/zinc/02/92/98/824029298.db2.gz DINUXUOPUKQXRH-HXUWFJFHSA-N 1 0 377.492 4.091 20 0 GIADRO COc1ccc(Oc2ccc(Cl)cc2NC(=O)N2CCC(C[NH3+])CC2)cc1 ZINC000414735467 824030308 /nfs/dbraw/zinc/03/03/08/824030308.db2.gz WSKNGVTYLVDGRV-UHFFFAOYSA-N 1 0 389.883 4.344 20 0 GIADRO Cn1c2ccc(C[NH2+][C@H]3CCc4c3cccc4Br)cc2sc1=O ZINC000192556471 824030580 /nfs/dbraw/zinc/03/05/80/824030580.db2.gz ACIGSLBVJDQWJB-HNNXBMFYSA-N 1 0 389.318 4.140 20 0 GIADRO [NH3+]CCC1CCN(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000575929016 824030929 /nfs/dbraw/zinc/03/09/29/824030929.db2.gz KHJFRLUVOGXWMM-UHFFFAOYSA-N 1 0 383.336 4.317 20 0 GIADRO C[C@H]1CN(C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)CC[C@H]1[NH3+] ZINC000414739484 824031091 /nfs/dbraw/zinc/03/10/91/824031091.db2.gz FXFNBDBICCGDHI-GXFFZTMASA-N 1 0 384.427 4.030 20 0 GIADRO C[C@H]1C[C@@H](NC(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)CC[NH2+]1 ZINC000414742712 824032023 /nfs/dbraw/zinc/03/20/23/824032023.db2.gz ILYXPEGFHCSXTQ-GWCFXTLKSA-N 1 0 384.427 4.091 20 0 GIADRO CCCN(C(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1)[C@@H](C)c1cc2ccccc2o1 ZINC000414745089 824032272 /nfs/dbraw/zinc/03/22/72/824032272.db2.gz OYGBVTKDAWHQFS-CVEARBPZSA-N 1 0 393.487 4.391 20 0 GIADRO CC(C)COC[C@H](NC(=O)NCc1ccccc1C[NH+]1CCCC1)c1ccco1 ZINC000171005413 824034226 /nfs/dbraw/zinc/03/42/26/824034226.db2.gz FBLLJVHETHBWTJ-NRFANRHFSA-N 1 0 399.535 4.089 20 0 GIADRO O=C(CCC(F)(F)F)N1CCC[C@@H]([NH2+]Cc2ccccc2C(F)(F)F)C1 ZINC000575950547 824035488 /nfs/dbraw/zinc/03/54/88/824035488.db2.gz JFVRDLFCDCNOCT-CYBMUJFWSA-N 1 0 382.348 4.129 20 0 GIADRO C[NH2+]CCC1CCN(C(=O)Nc2ccc(Oc3ccccc3OC)cc2)CC1 ZINC000414784050 824035806 /nfs/dbraw/zinc/03/58/06/824035806.db2.gz KFUXBBIKGJJKSM-UHFFFAOYSA-N 1 0 383.492 4.341 20 0 GIADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)Nc1cc(Cl)ccc1OCC(F)(F)F ZINC000414785181 824036201 /nfs/dbraw/zinc/03/62/01/824036201.db2.gz JECFNGPLTYGMTL-GXFFZTMASA-N 1 0 379.810 4.015 20 0 GIADRO C[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H](CC2CCCCC2)c2ccccc2)c1 ZINC000414791894 824036973 /nfs/dbraw/zinc/03/69/73/824036973.db2.gz RHLOFFWXFWBSJJ-JOCHJYFZSA-N 1 0 393.531 4.172 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cc(C)n(-c2cc(C)on2)c1C ZINC000171014178 824037480 /nfs/dbraw/zinc/03/74/80/824037480.db2.gz QCOGDMAGPOWDBG-UHFFFAOYSA-N 1 0 394.519 4.114 20 0 GIADRO CC[C@H]([NH2+][C@H]1c2ccccc2CC12CCOCC2)C(=O)Nc1ccc(OC)cc1 ZINC000575958463 824037818 /nfs/dbraw/zinc/03/78/18/824037818.db2.gz RSKITNBSEBHCQR-VXKWHMMOSA-N 1 0 394.515 4.096 20 0 GIADRO Cc1csc2c1ncnc2NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000192594850 824040875 /nfs/dbraw/zinc/04/08/75/824040875.db2.gz HDESLCFEVHYMMF-MRXNPFEDSA-N 1 0 382.533 4.312 20 0 GIADRO CCCN(C(=O)Nc1ccccc1N1CCc2ccccc21)C1CC[NH2+]CC1 ZINC000414846088 824041356 /nfs/dbraw/zinc/04/13/56/824041356.db2.gz MZTNINWWKRVHAN-UHFFFAOYSA-N 1 0 378.520 4.377 20 0 GIADRO CO[C@H]1CCN(C(=O)Nc2ccc(Sc3ccc(C)c(C)c3)cc2)[C@@H](C[NH3+])C1 ZINC000414864428 824043425 /nfs/dbraw/zinc/04/34/25/824043425.db2.gz YNQBNAMAVRJRQZ-MOPGFXCFSA-N 1 0 399.560 4.425 20 0 GIADRO CC[NH2+]CC1CCN(C(=O)Nc2ccc(Oc3cccc(CC)c3)nc2)CC1 ZINC000414886037 824044937 /nfs/dbraw/zinc/04/49/37/824044937.db2.gz PKAZFPYPQUCATI-UHFFFAOYSA-N 1 0 382.508 4.290 20 0 GIADRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000414883783 824045002 /nfs/dbraw/zinc/04/50/02/824045002.db2.gz DOSZLDZKWMCMEC-QFBILLFUSA-N 1 0 395.507 4.278 20 0 GIADRO CC(C)c1noc2nc(C3CC3)cc(C(=O)N3CCC[C@@H]3C[NH+]3CCCCC3)c21 ZINC000171042622 824045418 /nfs/dbraw/zinc/04/54/18/824045418.db2.gz QBNNQSHMIVHECZ-QGZVFWFLSA-N 1 0 396.535 4.314 20 0 GIADRO c1sc(CCc2ccccc2)nc1CNC1(c2ccc3c(c2)OCO3)CC1 ZINC000575992580 824045631 /nfs/dbraw/zinc/04/56/31/824045631.db2.gz BAZYKEAXFUTSCW-UHFFFAOYSA-N 1 0 378.497 4.436 20 0 GIADRO O=C(CCCc1ccc(Br)s1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000171043834 824045700 /nfs/dbraw/zinc/04/57/00/824045700.db2.gz OYNYNKXXLPAUIB-OAHLLOKOSA-N 1 0 399.398 4.310 20 0 GIADRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000414889288 824045860 /nfs/dbraw/zinc/04/58/60/824045860.db2.gz LHGXEDLQICNTMG-IBGZPJMESA-N 1 0 395.507 4.149 20 0 GIADRO O=c1nc(CN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)[nH]c2sc(-c3ccccc3)cc21 ZINC000575996833 824046604 /nfs/dbraw/zinc/04/66/04/824046604.db2.gz APKUTJYPIRMJQH-AEFFLSMTSA-N 1 0 394.544 4.028 20 0 GIADRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N(C)CC(C)(C)C[NH3+] ZINC000414895491 824047078 /nfs/dbraw/zinc/04/70/78/824047078.db2.gz XQHVHMKSNRZCRR-UHFFFAOYSA-N 1 0 383.496 4.088 20 0 GIADRO CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]Cc1ccccc1Cn1cccn1)CCC2 ZINC000192625991 824049326 /nfs/dbraw/zinc/04/93/26/824049326.db2.gz DGLRDAJODWDTLG-LJQANCHMSA-N 1 0 393.487 4.177 20 0 GIADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1ccc(Oc2cccc(F)c2)c2ccncc12 ZINC000576010543 824049386 /nfs/dbraw/zinc/04/93/86/824049386.db2.gz VCPVZHYQYZBFHT-LIRRHRJNSA-N 1 0 394.450 4.286 20 0 GIADRO C[NH+](C)C[C@@H](NC(=O)c1cccc([C@@H]2CCCOC2)c1)c1ccc(Cl)cc1 ZINC000576010391 824049397 /nfs/dbraw/zinc/04/93/97/824049397.db2.gz LCCCMVHBQJUZGL-TZIWHRDSSA-N 1 0 386.923 4.267 20 0 GIADRO C[C@H]([NH2+]Cc1ccc2c(c1)sc(=O)n2C)c1ccc(OCC2CC2)c(F)c1 ZINC000192628450 824049688 /nfs/dbraw/zinc/04/96/88/824049688.db2.gz RYKKAPIIZXIVNO-ZDUSSCGKSA-N 1 0 386.492 4.379 20 0 GIADRO [NH3+]C1CCN(C(=O)NCc2ccc(Oc3cccc4ccccc43)cc2)CC1 ZINC000576015143 824049821 /nfs/dbraw/zinc/04/98/21/824049821.db2.gz OWUFNGWNKZTWEP-UHFFFAOYSA-N 1 0 375.472 4.265 20 0 GIADRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)cc1 ZINC000414919184 824050125 /nfs/dbraw/zinc/05/01/25/824050125.db2.gz WJQKMNWXSMKUCS-VXKWHMMOSA-N 1 0 397.519 4.189 20 0 GIADRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)Cc1csc(-c2cccc(C)c2)n1)c1ccco1 ZINC000576018109 824050491 /nfs/dbraw/zinc/05/04/91/824050491.db2.gz NGGVFQKBWRBEMM-APWZRJJASA-N 1 0 397.544 4.500 20 0 GIADRO Cc1ccc2c(CC(=O)NCC3CC[NH+](Cc4ccccc4)CC3)c[nH]c2c1 ZINC000171061814 824052081 /nfs/dbraw/zinc/05/20/81/824052081.db2.gz ZFGILBZRFHPOPU-UHFFFAOYSA-N 1 0 375.516 4.047 20 0 GIADRO COc1ccc(NC(=S)C(C(=O)c2ccc(Cl)cc2)[n+]2ccccc2)cn1 ZINC000171063898 824052960 /nfs/dbraw/zinc/05/29/60/824052960.db2.gz MOLYHZCQLNFRAS-UHFFFAOYSA-O 1 0 398.895 4.082 20 0 GIADRO CCCN(Cc1nnc(-c2ccco2)o1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000171065957 824053878 /nfs/dbraw/zinc/05/38/78/824053878.db2.gz DUDYQGLVHMPCHF-IBGZPJMESA-N 1 0 380.492 4.206 20 0 GIADRO Cc1ccccc1[C@H]([NH2+][C@H]1CCCc2ccc(S(N)(=O)=O)cc21)C(C)(C)C ZINC000576032285 824054351 /nfs/dbraw/zinc/05/43/51/824054351.db2.gz DPBLQCOJMNCRRS-SFTDATJTSA-N 1 0 386.561 4.397 20 0 GIADRO Cc1ccc(-c2noc([C@@]3(F)CC[N@@H+](C(C)(C)C)C3)n2)c(Br)c1 ZINC000576033552 824054356 /nfs/dbraw/zinc/05/43/56/824054356.db2.gz OQZYUEGCOUPRMK-QGZVFWFLSA-N 1 0 382.277 4.477 20 0 GIADRO CC[N@H+](Cc1cc(Br)c2c(c1)OCCCO2)[C@@H]1CCOC(C)(C)C1 ZINC000576037672 824055418 /nfs/dbraw/zinc/05/54/18/824055418.db2.gz QVVPZAVGEJIUNZ-OAHLLOKOSA-N 1 0 398.341 4.390 20 0 GIADRO O=C(CC[NH+]1CCN(c2cccc(Cl)c2)CC1)Nc1ccccc1Cl ZINC000006633648 204187635 /nfs/dbraw/zinc/18/76/35/204187635.db2.gz DTUNVQZYOLXDAZ-UHFFFAOYSA-N 1 0 378.303 4.144 20 0 GIADRO CC1CC[NH+](Cc2ccc(NC(=O)c3cc(-c4cccnc4)on3)cc2)CC1 ZINC000053619130 205137548 /nfs/dbraw/zinc/13/75/48/205137548.db2.gz ZNZLLQKBCXQLFR-UHFFFAOYSA-N 1 0 376.460 4.221 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNc1cc(-c2ccccc2)nc2ncnn21 ZINC000071954792 206208323 /nfs/dbraw/zinc/20/83/23/206208323.db2.gz MDUWGFLXKXCKGG-UHFFFAOYSA-N 1 0 386.503 4.244 20 0 GIADRO [NH3+]CC1(F)CCN(C(F)(F)c2cnc(Cl)c(-c3cccc(F)c3)c2)CC1 ZINC001164388572 718813480 /nfs/dbraw/zinc/81/34/80/718813480.db2.gz PYBRGAZHSTUGRZ-UHFFFAOYSA-N 1 0 387.808 4.353 20 0 GIADRO FC(F)(c1nc2cc(Cl)c(Cl)cc2nc1Cl)N1CC[C@H]2[NH2+]CC[C@@H]21 ZINC001164410679 718874641 /nfs/dbraw/zinc/87/46/41/718874641.db2.gz FYRYXUMRUBIRSP-SKDRFNHKSA-N 1 0 393.652 4.076 20 0 GIADRO FC(F)(c1nc2ccccc2nc1Cl)N1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001164417448 718892551 /nfs/dbraw/zinc/89/25/51/718892551.db2.gz KHCYBFDENUGYGF-INIZCTEOSA-N 1 0 380.870 4.187 20 0 GIADRO FC(F)(Oc1ccccc1-c1cccc(Cl)n1)N1CCC(C2C[NH2+]C2)CC1 ZINC001164614840 719037703 /nfs/dbraw/zinc/03/77/03/719037703.db2.gz HESIANUKQWJEEN-UHFFFAOYSA-N 1 0 393.865 4.263 20 0 GIADRO Cc1cc(C(F)(F)N2CC[C@]3(C[NH2+]C[C@H]3c3ccccc3)C2)cc(Cl)n1 ZINC001164620644 719043433 /nfs/dbraw/zinc/04/34/33/719043433.db2.gz GKSHSOSFRBBRFA-HKUYNNGSSA-N 1 0 377.866 4.172 20 0 GIADRO Fc1cc(C(F)(F)N2CC[C@@]3(C[NH2+]C[C@H]3c3ccccc3)C2)cnc1Cl ZINC001164618732 719045755 /nfs/dbraw/zinc/04/57/55/719045755.db2.gz BCVZMMKIQXXJIE-MAUKXSAKSA-N 1 0 381.829 4.003 20 0 GIADRO FC(F)(c1ccc(Cl)nc1)N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164618364 719050271 /nfs/dbraw/zinc/05/02/71/719050271.db2.gz AVFPVIREYAULLQ-WMZOPIPTSA-N 1 0 377.866 4.381 20 0 GIADRO CCOC(=O)c1cc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)ncc1Cl ZINC001164623668 719058544 /nfs/dbraw/zinc/05/85/44/719058544.db2.gz KHVTTWPASBTWGU-YLJYHZDGSA-N 1 0 399.922 4.013 20 0 GIADRO c1ccc(C[N@@H+]2C[C@H]3CCCN(c4nccc(Oc5ccccc5)n4)[C@H]3C2)cc1 ZINC001164619957 719067524 /nfs/dbraw/zinc/06/75/24/719067524.db2.gz DKJFKVXXPQUQMX-IRLDBZIGSA-N 1 0 386.499 4.370 20 0 GIADRO Cc1nc2ccc(F)cc2c(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164619043 719068410 /nfs/dbraw/zinc/06/84/10/719068410.db2.gz CDVXTFILQONTMX-AVRDEDQJSA-N 1 0 376.479 4.178 20 0 GIADRO c1ccc(C[N@@H+]2C[C@H]3CCCN(c4ncnc5[nH]c6ccccc6c54)[C@@H]3C2)cc1 ZINC001164629864 719083182 /nfs/dbraw/zinc/08/31/82/719083182.db2.gz ZOYGTCRZHYAYAA-WIYYLYMNSA-N 1 0 383.499 4.212 20 0 GIADRO Fc1cnc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1-c1ccsc1 ZINC001164622769 719111897 /nfs/dbraw/zinc/11/18/97/719111897.db2.gz CKZZHRLEVIKZHR-XLIONFOSSA-N 1 0 394.519 4.445 20 0 GIADRO [NH3+]C1([C@@H]2CN(C(F)(F)c3cc(Cl)c(Cl)nc3Cl)C[C@H]2CF)CC1 ZINC001164622457 719121325 /nfs/dbraw/zinc/12/13/25/719121325.db2.gz OVWXRVMNXRGBMQ-VXNVDRBHSA-N 1 0 388.648 4.100 20 0 GIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2cnc(-c4ccco4)cn2)CC3)cs1 ZINC001164692514 719807184 /nfs/dbraw/zinc/80/71/84/719807184.db2.gz IRPNATLPALCTOU-UHFFFAOYSA-N 1 0 395.532 4.137 20 0 GIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(Cl)cnc2Cl)CC3)cs1 ZINC001164694017 719807682 /nfs/dbraw/zinc/80/76/82/719807682.db2.gz TZJOKSLLLFGCSE-UHFFFAOYSA-N 1 0 398.363 4.183 20 0 GIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ncnc4cccc(C)c42)CC3)cs1 ZINC001164692876 719809734 /nfs/dbraw/zinc/80/97/34/719809734.db2.gz NJIKBHHMYHGVGK-UHFFFAOYSA-N 1 0 393.560 4.338 20 0 GIADRO Cc1csc2cnc(N3CCC4(CCC[N@H+]4Cc4csc(C)n4)CC3)nc12 ZINC001164691610 719812346 /nfs/dbraw/zinc/81/23/46/719812346.db2.gz IMKNZOLCGYSKIV-UHFFFAOYSA-N 1 0 399.589 4.400 20 0 GIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nnc(C)c4ccccc42)CC3)cs1 ZINC001164693535 719812985 /nfs/dbraw/zinc/81/29/85/719812985.db2.gz WDKBWJYQXWXYNV-UHFFFAOYSA-N 1 0 393.560 4.338 20 0 GIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(C)nc(C4CC4)n2)CC3)cs1 ZINC001164691747 719814361 /nfs/dbraw/zinc/81/43/61/719814361.db2.gz KLWQFRLITONCRW-UHFFFAOYSA-N 1 0 383.565 4.062 20 0 GIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc3cc(Cl)ccc3n1)C2 ZINC001164808607 720081306 /nfs/dbraw/zinc/08/13/06/720081306.db2.gz IIFFKEJIWFEENH-GCJKJVERSA-N 1 0 385.939 4.073 20 0 GIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nccc3c(Cl)cccc31)C2 ZINC001164812494 720110644 /nfs/dbraw/zinc/11/06/44/720110644.db2.gz OTKBGQJMTQXJKZ-JTSKRJEESA-N 1 0 385.939 4.073 20 0 GIADRO Fc1ccc2cc(Cl)nc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c2c1 ZINC001164724185 720358467 /nfs/dbraw/zinc/35/84/67/720358467.db2.gz JSVRGIALJZRIQN-OALUTQOASA-N 1 0 382.870 4.276 20 0 GIADRO Cc1ccc2cc(Cl)nc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c2c1 ZINC001164731604 720410171 /nfs/dbraw/zinc/41/01/71/720410171.db2.gz MCPGITKMMGONDH-VQTJNVASSA-N 1 0 378.907 4.445 20 0 GIADRO Fc1ccc(Cl)c2ccc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)nc12 ZINC001164724784 720474490 /nfs/dbraw/zinc/47/44/90/720474490.db2.gz HHTYKOTZEKIRRH-RBUKOAKNSA-N 1 0 382.870 4.276 20 0 GIADRO COc1cc2cnc(Cl)cc2cc1N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164731650 720489561 /nfs/dbraw/zinc/48/95/61/720489561.db2.gz XEZHYXQYUNQWKS-RTBURBONSA-N 1 0 394.906 4.145 20 0 GIADRO Cc1cc(C(F)(F)N([C@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)cc(Cl)n1 ZINC001164736000 720542421 /nfs/dbraw/zinc/54/24/21/720542421.db2.gz TZYDOKFOQCCUHV-OAHLLOKOSA-N 1 0 387.902 4.104 20 0 GIADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nccc3ccccc31)CC2 ZINC001164844263 720665582 /nfs/dbraw/zinc/66/55/82/720665582.db2.gz ZQXLCILUAYIJOX-QFIPXVFZSA-N 1 0 387.527 4.495 20 0 GIADRO CC(C)c1ccc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc1 ZINC001164840464 720694533 /nfs/dbraw/zinc/69/45/33/720694533.db2.gz FAWUYOKTHHJVAJ-JOCHJYFZSA-N 1 0 379.548 4.465 20 0 GIADRO CSc1cccc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164836455 720709664 /nfs/dbraw/zinc/70/96/64/720709664.db2.gz AWJPSHGXCJXRED-IBGZPJMESA-N 1 0 383.561 4.063 20 0 GIADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cccc(C3CC3)n1)CC2 ZINC001164839570 720726906 /nfs/dbraw/zinc/72/69/06/720726906.db2.gz MAKRYSGRRVANMH-OAQYLSRUSA-N 1 0 377.532 4.219 20 0 GIADRO Cc1cccc2c(Cl)nnc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@@H]3C)c12 ZINC001164857908 720957276 /nfs/dbraw/zinc/95/72/76/720957276.db2.gz IFJVTTZZOOXRKC-HNNXBMFYSA-N 1 0 398.942 4.210 20 0 GIADRO CC[C@H](C)c1nc2[nH]ccc2c(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)n1 ZINC001164861034 721023505 /nfs/dbraw/zinc/02/35/05/721023505.db2.gz NBJYLEPYSVSQHL-JKSUJKDBSA-N 1 0 395.555 4.089 20 0 GIADRO CSc1nccc(N2CCC3(CC2)CC[NH+](Cc2ccc(C)cc2)CC3)n1 ZINC001164770525 721042146 /nfs/dbraw/zinc/04/21/46/721042146.db2.gz YLZWEUGSPBZDKI-UHFFFAOYSA-N 1 0 382.577 4.390 20 0 GIADRO COC(=O)c1cccc(N2CCC3(CC2)CC[NH+](Cc2ccc(C)cc2)CC3)n1 ZINC001164770779 721042195 /nfs/dbraw/zinc/04/21/95/721042195.db2.gz ZAVPVYHILFYADU-UHFFFAOYSA-N 1 0 393.531 4.059 20 0 GIADRO Cc1ccc(C[NH+]2CCC3(CCN(c4ncc5c(n4)CCCN5)CC3)CC2)cc1 ZINC001164760382 721044008 /nfs/dbraw/zinc/04/40/08/721044008.db2.gz UNKYDFGFWZPNQR-UHFFFAOYSA-N 1 0 391.563 4.026 20 0 GIADRO Cc1ccc(C[NH+]2CCC3(CCN(c4ccc(Cl)c[n+]4[O-])CC3)CC2)cc1 ZINC001164759096 721045570 /nfs/dbraw/zinc/04/55/70/721045570.db2.gz GBTONMRBVKBQEM-UHFFFAOYSA-N 1 0 385.939 4.164 20 0 GIADRO COCc1ccc(N2CCC3(CC2)CC[NH+](Cc2ccc(C)cc2)CC3)nc1 ZINC001164760634 721045960 /nfs/dbraw/zinc/04/59/60/721045960.db2.gz YVNAWDSTAVXUGM-UHFFFAOYSA-N 1 0 379.548 4.419 20 0 GIADRO CSc1ccc(N2CCC3(CC2)CC[NH+](Cc2ccc(C)cc2)CC3)nn1 ZINC001164759182 721046086 /nfs/dbraw/zinc/04/60/86/721046086.db2.gz JJGPZVAMNKSTMV-UHFFFAOYSA-N 1 0 382.577 4.390 20 0 GIADRO C[N@H+](Cc1ccc(N2CCC[C@]3(C[C@H](c4ccccc4)CO3)C2)nc1)C1CC1 ZINC001164772030 721060872 /nfs/dbraw/zinc/06/08/72/721060872.db2.gz OFLVRPCBHKNRHC-URXFXBBRSA-N 1 0 377.532 4.219 20 0 GIADRO c1cc(-c2nc3ccccc3c(N3CC4(C3)CC[N@@H+](CC3CC3)C4)n2)cs1 ZINC001164769756 721298554 /nfs/dbraw/zinc/29/85/54/721298554.db2.gz MITCGNMOSUTNMY-UHFFFAOYSA-N 1 0 376.529 4.280 20 0 GIADRO Cc1nc(-c2ccccc2Cl)nc(N2CC3(C2)CC[N@H+](CC2CC2)C3)c1C ZINC001164775546 721301092 /nfs/dbraw/zinc/30/10/92/721301092.db2.gz ZMXUOHBUJJLTDA-UHFFFAOYSA-N 1 0 382.939 4.336 20 0 GIADRO Cc1c(Cl)nc2cc(F)cc(F)c2c1N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001164775203 721302710 /nfs/dbraw/zinc/30/27/10/721302710.db2.gz SEZZNRGORWPSRQ-UHFFFAOYSA-N 1 0 377.866 4.397 20 0 GIADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN([C@H](F)c1ccnc(Cl)c1)CC2 ZINC001164792260 721495554 /nfs/dbraw/zinc/49/55/54/721495554.db2.gz LXFXTZKMACUHOU-FQEVSTJZSA-N 1 0 388.918 4.475 20 0 GIADRO Cc1ccc2ccnc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c2c1 ZINC001164903461 721531736 /nfs/dbraw/zinc/53/17/36/721531736.db2.gz CTWNXVDHVVCQGA-FPOVZHCZSA-N 1 0 377.463 4.024 20 0 GIADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CC[C@]3(CCCN3C(=O)C(C)C)C2)nc1 ZINC001165007401 721727336 /nfs/dbraw/zinc/72/73/36/721727336.db2.gz CKGUMWJLOZOVFC-XUZZJYLKSA-N 1 0 398.595 4.246 20 0 GIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(Cl)nc(C4CC4)n3)C[C@H]21 ZINC001165018730 721803484 /nfs/dbraw/zinc/80/34/84/721803484.db2.gz CGEQEEKAAQTZSF-QXAKKESOSA-N 1 0 397.954 4.139 20 0 GIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN([C@H](F)c3ccnc(Cl)c3)C[C@H]21 ZINC001165021664 721811582 /nfs/dbraw/zinc/81/15/82/721811582.db2.gz FVIYRXCKYYCAPT-VELGLUOQSA-N 1 0 388.918 4.331 20 0 GIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)cc(C4CC4)n3)C[C@H]21 ZINC001165027465 721813681 /nfs/dbraw/zinc/81/36/81/721813681.db2.gz UURNLJUDQOUZNH-YVWKXTFCSA-N 1 0 397.954 4.139 20 0 GIADRO Cc1ccc2nc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)ncc2c1 ZINC001165024163 721814002 /nfs/dbraw/zinc/81/40/02/721814002.db2.gz JKIXMDBOTYVIIS-HARLFGEKSA-N 1 0 387.531 4.070 20 0 GIADRO Cc1csc2cnc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)nc12 ZINC001165020753 721821343 /nfs/dbraw/zinc/82/13/43/721821343.db2.gz DPFFFOUQJVRTTC-UHOSZYNNSA-N 1 0 393.560 4.132 20 0 GIADRO Cc1cc2c(ccnc2N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)o1 ZINC001165024036 721826272 /nfs/dbraw/zinc/82/62/72/721826272.db2.gz JJWSVXGUXSSPKJ-IOMROCGXSA-N 1 0 376.504 4.268 20 0 GIADRO Cc1cc2cccnc2c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165023061 721827966 /nfs/dbraw/zinc/82/79/66/721827966.db2.gz HJVBTSUXAXDYNZ-BVSLBCMMSA-N 1 0 387.531 4.070 20 0 GIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(C)c5cc[nH]c5n4)CC3)C2)cc1 ZINC001164940583 721929224 /nfs/dbraw/zinc/92/92/24/721929224.db2.gz UOAWQNJNSAIPJH-UHFFFAOYSA-N 1 0 390.531 4.051 20 0 GIADRO CSCc1ccc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)nc1 ZINC001164940674 721932129 /nfs/dbraw/zinc/93/21/29/721932129.db2.gz WJOUFZGNNOPGGD-UHFFFAOYSA-N 1 0 397.588 4.124 20 0 GIADRO CSCc1ccnc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)c1 ZINC001164939477 721932660 /nfs/dbraw/zinc/93/26/60/721932660.db2.gz LRQWQHGXGTWXTA-UHFFFAOYSA-N 1 0 397.588 4.124 20 0 GIADRO c1cn(Cc2ccccc2)c2ncnc(N3CCCC[C@@H]3CC[NH+]3CCCC3)c12 ZINC001165050038 721971874 /nfs/dbraw/zinc/97/18/74/721971874.db2.gz YKYHNWUXBPXVQV-OAQYLSRUSA-N 1 0 389.547 4.324 20 0 GIADRO FC(F)(c1ccc2ncnc(Cl)c2n1)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001165049125 721972806 /nfs/dbraw/zinc/97/28/06/721972806.db2.gz NMPDIUIXSMCECF-CQSZACIVSA-N 1 0 395.885 4.068 20 0 GIADRO CC[NH+](CC)C1CCN(C(F)(F)c2cc(Cl)nc(-c3ccncc3)n2)CC1 ZINC001165053733 722005206 /nfs/dbraw/zinc/00/52/06/722005206.db2.gz UKMBGEGEAZPNQP-UHFFFAOYSA-N 1 0 395.885 4.048 20 0 GIADRO CC[NH+](CC)C1CCN(c2cnc(Cl)nc2Oc2ccc(OC)cc2)CC1 ZINC001165054404 722007500 /nfs/dbraw/zinc/00/75/00/722007500.db2.gz LTNCONWKQFLZDH-UHFFFAOYSA-N 1 0 390.915 4.242 20 0 GIADRO COc1ccc2c(ccnc2N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1 ZINC001164952203 722014624 /nfs/dbraw/zinc/01/46/24/722014624.db2.gz JJZIPUFUHMBOPT-UHFFFAOYSA-N 1 0 388.515 4.131 20 0 GIADRO Cc1csc2nc(C)nc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)c12 ZINC001164961326 722023001 /nfs/dbraw/zinc/02/30/01/722023001.db2.gz NAEMLHRIXTWOGE-UHFFFAOYSA-N 1 0 393.560 4.196 20 0 GIADRO c1cc(N2CCC[C@]3(C[C@@H](OCC4CCCC4)CO3)C2)ncc1C[NH+]1CCCC1 ZINC001164973501 722165855 /nfs/dbraw/zinc/16/58/55/722165855.db2.gz BNQZKWYQQQKNJW-VWNXMTODSA-N 1 0 399.579 4.012 20 0 GIADRO Cc1nc2cc(F)ccc2c(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164994596 722196179 /nfs/dbraw/zinc/19/61/79/722196179.db2.gz OGXMAWSZFRNYGN-QHCPKHFHSA-N 1 0 394.469 4.461 20 0 GIADRO COc1cc(Cl)ncc1N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164995471 722197050 /nfs/dbraw/zinc/19/70/50/722197050.db2.gz VALOBHWSFQZIAT-HXUWFJFHSA-N 1 0 375.875 4.128 20 0 GIADRO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2cnc4ccc(F)cc4n2)C3)c1 ZINC001164992688 722197904 /nfs/dbraw/zinc/19/79/04/722197904.db2.gz APGOWQAKAUIGSB-QFIPXVFZSA-N 1 0 380.442 4.153 20 0 GIADRO COC(OC)c1cc(C)cnc1N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164994415 722206244 /nfs/dbraw/zinc/20/62/44/722206244.db2.gz GJHFJAQXGCPELS-HSZRJFAPSA-N 1 0 399.510 4.065 20 0 GIADRO C[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000458482006 823045974 /nfs/dbraw/zinc/04/59/74/823045974.db2.gz GSOZMAWVCHSNPL-LSDHHAIUSA-N 1 0 375.479 4.156 20 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/nfs/dbraw/zinc/04/98/62/823049862.db2.gz IOMCHWPGYBMRMA-CYBMUJFWSA-N 1 0 382.382 4.011 20 0 GIADRO COc1cc([C@@H](C)[NH2+]C[C@@H]2CCN(c3ccc(Br)cc3)C2)ccn1 ZINC000570534260 823050653 /nfs/dbraw/zinc/05/06/53/823050653.db2.gz NJPZOWOXLMLZOZ-CABCVRRESA-N 1 0 390.325 4.030 20 0 GIADRO CN1CCc2nc(NC(=O)c3cc(C4CC4)nc4ccc(Cl)cc43)sc2C1 ZINC000175835332 823051030 /nfs/dbraw/zinc/05/10/30/823051030.db2.gz NYGZLZDFBKMQES-UHFFFAOYSA-N 1 0 398.919 4.462 20 0 GIADRO C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458526666 823051275 /nfs/dbraw/zinc/05/12/75/823051275.db2.gz WJEVTZWABXKDLT-GDBMZVCRSA-N 1 0 377.495 4.259 20 0 GIADRO CC1CC[NH+]([C@@H](CNC(=O)c2occc2Br)c2ccccc2)CC1 ZINC000175847144 823054024 /nfs/dbraw/zinc/05/40/24/823054024.db2.gz BSOLGVFMGJGOTM-KRWDZBQOSA-N 1 0 391.309 4.245 20 0 GIADRO O=C(C[N@H+]1CCC[C@@H]1C[C@H](O)c1cccs1)Nc1cccc2ccccc21 ZINC000175837909 823051991 /nfs/dbraw/zinc/05/19/91/823051991.db2.gz VBEAUTNHSJPNHV-XLIONFOSSA-N 1 0 380.513 4.428 20 0 GIADRO 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381.605 4.145 20 0 GIADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CCCSc1ccc(Br)cc1 ZINC000120750595 823056882 /nfs/dbraw/zinc/05/68/82/823056882.db2.gz VDTWSAVTPDSQRW-YOEHRIQHSA-N 1 0 399.398 4.120 20 0 GIADRO CC(C)C[C@H](CNC(=O)NCc1cnc(C2CC2)o1)[NH2+][C@H](C)c1ccccc1 ZINC000458565557 823057238 /nfs/dbraw/zinc/05/72/38/823057238.db2.gz UBDQWIVPPJHJAF-VQIMIIECSA-N 1 0 384.524 4.117 20 0 GIADRO CN(Cc1cccs1)C(=O)C[N@@H+]1CCCCC[C@H]1C[C@H](O)c1cccs1 ZINC000175863203 823058396 /nfs/dbraw/zinc/05/83/96/823058396.db2.gz GEOJKTBXIKBXEP-WMZOPIPTSA-N 1 0 392.590 4.136 20 0 GIADRO CC[NH+](CC)CCOc1cc(NC(=O)c2ccc(F)c(F)c2F)ccc1OC ZINC000175865376 823058963 /nfs/dbraw/zinc/05/89/63/823058963.db2.gz HFYUDSIDMQRWFJ-UHFFFAOYSA-N 1 0 396.409 4.085 20 0 GIADRO CCOc1ccc(C[N@H+](C)Cc2cccc(C(=O)NCc3ccco3)c2)cc1 ZINC000055897920 823063479 /nfs/dbraw/zinc/06/34/79/823063479.db2.gz XWPFVUVNKNVNBP-UHFFFAOYSA-N 1 0 378.472 4.240 20 0 GIADRO CC(C)Oc1ccc2ccccc2c1CNC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000570618151 823063054 /nfs/dbraw/zinc/06/30/54/823063054.db2.gz WJHUDPQETHQOGV-WOJBJXKFSA-N 1 0 395.547 4.158 20 0 GIADRO C[C@@H](OCc1ccc(F)cc1)c1nc(-c2ccc(OCC[NH+](C)C)cc2)no1 ZINC000570596173 823059381 /nfs/dbraw/zinc/05/93/81/823059381.db2.gz UODHMSKHKPWFGK-OAHLLOKOSA-N 1 0 385.439 4.094 20 0 GIADRO CC(C)[C@@H]1N(C(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)CC12CCCC2 ZINC000458584323 823059608 /nfs/dbraw/zinc/05/96/08/823059608.db2.gz UNFXJCFXADHSHZ-NQIIRXRSSA-N 1 0 384.568 4.217 20 0 GIADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)N[C@H](c3cccc(C(F)(F)F)c3)C3CC3)C2)C1 ZINC000458590870 823060376 /nfs/dbraw/zinc/06/03/76/823060376.db2.gz CYKMPCZKZORLMS-ICSRJNTNSA-N 1 0 395.469 4.284 20 0 GIADRO C[C@@H]([NH2+]CC1CCN(C(=O)C(C)(C)C)CC1)c1ccc(Br)cc1 ZINC000187421739 823060478 /nfs/dbraw/zinc/06/04/78/823060478.db2.gz DECMMLPARHIXES-CQSZACIVSA-N 1 0 381.358 4.384 20 0 GIADRO COc1ccc2nc(C[NH2+][C@@H](C)c3ccc(N4CCOC4=O)cc3)sc2c1 ZINC000187421966 823060528 /nfs/dbraw/zinc/06/05/28/823060528.db2.gz VITVTLCZRYUBNH-ZDUSSCGKSA-N 1 0 383.473 4.112 20 0 GIADRO Cc1cnc([C@H](NC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)C2CC2)s1 ZINC000175883926 823063227 /nfs/dbraw/zinc/06/32/27/823063227.db2.gz SHJJBXCOINDXRZ-LJQANCHMSA-N 1 0 390.597 4.200 20 0 GIADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000175873018 823060943 /nfs/dbraw/zinc/06/09/43/823060943.db2.gz SJUPDGSFBYVGJO-JPYJTQIMSA-N 1 0 396.531 4.449 20 0 GIADRO COc1ccc2nc(C[NH2+][C@@H](C)c3ccc(N4CCCC4=O)cc3)sc2c1 ZINC000187423637 823061080 /nfs/dbraw/zinc/06/10/80/823061080.db2.gz LVFMSPXKHGXROK-AWEZNQCLSA-N 1 0 381.501 4.283 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1c(F)cc(C(F)(F)F)cc1F)c1ccco1 ZINC000570607769 823061274 /nfs/dbraw/zinc/06/12/74/823061274.db2.gz KZYUZWWEPHXTAL-AWEZNQCLSA-N 1 0 390.352 4.390 20 0 GIADRO Cc1nn(C)c(C)c1C[C@H](C)[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000120777351 823061926 /nfs/dbraw/zinc/06/19/26/823061926.db2.gz ZIMPNUYKRVTGCJ-AWEZNQCLSA-N 1 0 392.950 4.015 20 0 GIADRO COc1ccccc1CSc1ccccc1NC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000120778452 823062226 /nfs/dbraw/zinc/06/22/26/823062226.db2.gz GIDFVTINSLDHDD-QGZVFWFLSA-N 1 0 399.560 4.451 20 0 GIADRO Cc1cnc([C@@H](NC(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)C2CC2)s1 ZINC000175885067 823063443 /nfs/dbraw/zinc/06/34/43/823063443.db2.gz XOAKLLUWRSJKMA-MJGOQNOKSA-N 1 0 390.597 4.056 20 0 GIADRO O=C(Nc1ccc2c(c1F)CC[NH2+]C2)N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000570616339 823062720 /nfs/dbraw/zinc/06/27/20/823062720.db2.gz CYPPJKCZOMREGQ-CQSZACIVSA-N 1 0 396.249 4.033 20 0 GIADRO O=C(N1CC[C@H](C[NH+]2CCCCC2)C1)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000187433816 823062886 /nfs/dbraw/zinc/06/28/86/823062886.db2.gz QKRLGKMVWWJCTH-OAHLLOKOSA-N 1 0 398.444 4.211 20 0 GIADRO CCSc1ccc(Cl)cc1C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000175888167 823063877 /nfs/dbraw/zinc/06/38/77/823063877.db2.gz NKXMJHKDQUOOKF-UHFFFAOYSA-N 1 0 396.984 4.217 20 0 GIADRO C[C@H](NC(=O)NCc1ccc(C(C)(F)F)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000458621829 823065062 /nfs/dbraw/zinc/06/50/62/823065062.db2.gz AYBUMKIGMLGMNI-RDJZCZTQSA-N 1 0 379.495 4.251 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCC2(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000187446139 823065279 /nfs/dbraw/zinc/06/52/79/823065279.db2.gz WEAIRFCXYYUILI-INIZCTEOSA-N 1 0 397.485 4.110 20 0 GIADRO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2cccc(CSc3ccccn3)c2)C1 ZINC000175894184 823065569 /nfs/dbraw/zinc/06/55/69/823065569.db2.gz WKQVBUFPLMMFGP-IBGZPJMESA-N 1 0 384.549 4.322 20 0 GIADRO C[C@H](c1ccccn1)N(C)C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000187452439 823066384 /nfs/dbraw/zinc/06/63/84/823066384.db2.gz VTQPVUAKYAAIEI-RDTXWAMCSA-N 1 0 394.441 4.106 20 0 GIADRO C[C@@H]([NH2+]CCCc1nc(-c2ccccc2)no1)c1ccc(-n2cccn2)c(F)c1 ZINC000570647614 823066894 /nfs/dbraw/zinc/06/68/94/823066894.db2.gz IHFUQZRRNAWYGI-MRXNPFEDSA-N 1 0 391.450 4.345 20 0 GIADRO C[C@H](NC(=O)N1CC[C@@H](c2cccc(Cl)c2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000458632073 823067206 /nfs/dbraw/zinc/06/72/06/823067206.db2.gz NCYRPYCPWFANKQ-YTQUADARSA-N 1 0 389.971 4.492 20 0 GIADRO CO[C@@H](C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1)c1ccccc1 ZINC000570654146 823067356 /nfs/dbraw/zinc/06/73/56/823067356.db2.gz YVKWMAPTEIXRMG-ZFGGDYGUSA-N 1 0 389.499 4.478 20 0 GIADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](c2ccc(F)cc2F)C(C)(C)C)cc1 ZINC000120803927 823067395 /nfs/dbraw/zinc/06/73/95/823067395.db2.gz XDDQONBNMQBDQH-DJJJIMSYSA-N 1 0 396.503 4.311 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc3c(c2)CCCO3)[C@@H]1c1cccs1 ZINC000175903440 823068185 /nfs/dbraw/zinc/06/81/85/823068185.db2.gz KWFILZWVICGNJH-OXJNMPFZSA-N 1 0 385.533 4.278 20 0 GIADRO C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000055934373 823068295 /nfs/dbraw/zinc/06/82/95/823068295.db2.gz NYUBUEOATNMTNE-OAHLLOKOSA-N 1 0 385.474 4.086 20 0 GIADRO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000055934440 823068421 /nfs/dbraw/zinc/06/84/21/823068421.db2.gz JMGUGKXHTVCLAT-MRXNPFEDSA-N 1 0 395.975 4.038 20 0 GIADRO Cc1ccc2c(c1)[C@H](NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)[C@H](C)C2 ZINC000458644514 823068840 /nfs/dbraw/zinc/06/88/40/823068840.db2.gz XVVJEKDHMWGCLL-DNVCBOLYSA-N 1 0 397.485 4.287 20 0 GIADRO C[C@@H](Cc1cccc(F)c1)N(C)C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000458644504 823068858 /nfs/dbraw/zinc/06/88/58/823068858.db2.gz XVOULGFBFKWTNL-JENIJYKNSA-N 1 0 375.532 4.051 20 0 GIADRO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1(c2ccccc2F)CC1 ZINC000120817022 823070106 /nfs/dbraw/zinc/07/01/06/823070106.db2.gz MLGPTCANDKLUOE-IHWFROFDSA-N 1 0 378.491 4.169 20 0 GIADRO O[C@H](C[NH2+][C@H]1C[C@@H]1c1ccccc1C(F)(F)F)COc1cccc2[nH]ccc21 ZINC000570675414 823070863 /nfs/dbraw/zinc/07/08/63/823070863.db2.gz LBGLUCVLEYEFDA-NRXGSXMXSA-N 1 0 390.405 4.072 20 0 GIADRO O[C@H](C[NH2+][C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)COc1cccc2[nH]ccc21 ZINC000570675415 823070916 /nfs/dbraw/zinc/07/09/16/823070916.db2.gz LBGLUCVLEYEFDA-VVFCZOMOSA-N 1 0 390.405 4.072 20 0 GIADRO Cc1cccc([C@@H](NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)C(C)(C)C)c1 ZINC000175912515 823070855 /nfs/dbraw/zinc/07/08/55/823070855.db2.gz LZUNCBBAXWTHFX-JOCHJYFZSA-N 1 0 394.563 4.441 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)[C@H](c3ccccc3)C3CC3)c(C)c2)CC1 ZINC000120826256 823072260 /nfs/dbraw/zinc/07/22/60/823072260.db2.gz ZUHCGSAUDXPSER-HSZRJFAPSA-N 1 0 377.532 4.269 20 0 GIADRO C[C@H](NC(=O)C[C@@H]1CCCC[C@@H]1[NH3+])c1cccc(NC(=O)c2ccccc2)c1 ZINC000570679538 823071291 /nfs/dbraw/zinc/07/12/91/823071291.db2.gz OEMSIKGDCJJQDQ-LRQRDZAKSA-N 1 0 379.504 4.024 20 0 GIADRO CSc1ccc([C@@H](CNC(=O)N[C@@H](C)CCCC(F)(F)F)[NH+](C)C)cc1 ZINC000458711069 823077314 /nfs/dbraw/zinc/07/73/14/823077314.db2.gz KXUDTOQWENNZIJ-XJKSGUPXSA-N 1 0 391.503 4.432 20 0 GIADRO Clc1ccc(-c2ncc(C[NH+]3CCC(O[C@@H]4CCOC4)CC3)s2)cc1 ZINC000570700125 823073243 /nfs/dbraw/zinc/07/32/43/823073243.db2.gz UBJHICFJGJBFBM-QGZVFWFLSA-N 1 0 378.925 4.233 20 0 GIADRO CC[N@H+](CCNC(=O)N1[C@H](C)[C@@H](CC(F)(F)F)C[C@@H]1C)CCC(F)(F)F ZINC000458706167 823076837 /nfs/dbraw/zinc/07/68/37/823076837.db2.gz CXLUERFWUFJYSL-YNEHKIRRSA-N 1 0 391.400 4.022 20 0 GIADRO CC1CC[NH+](Cc2cccc(CNC(=O)N3CCC([C@@H]4CCCO4)CC3)c2)CC1 ZINC000187488529 823073715 /nfs/dbraw/zinc/07/37/15/823073715.db2.gz NECDUJVWJLEGKP-QHCPKHFHSA-N 1 0 399.579 4.019 20 0 GIADRO CC(C)[C@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(F)cc1F ZINC000120836798 823074129 /nfs/dbraw/zinc/07/41/29/823074129.db2.gz FIGOLWMWTSLUHV-XOBRGWDASA-N 1 0 396.503 4.263 20 0 GIADRO CC(C)[C@@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(F)cc1F ZINC000120837264 823074159 /nfs/dbraw/zinc/07/41/59/823074159.db2.gz FIGOLWMWTSLUHV-JLTOFOAXSA-N 1 0 396.503 4.263 20 0 GIADRO C[C@@H](N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1cccc(N2CCCC2=O)c1 ZINC000120839785 823074542 /nfs/dbraw/zinc/07/45/42/823074542.db2.gz RGPHNTFDPPWTJZ-XXBNENTESA-N 1 0 377.532 4.301 20 0 GIADRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1ccc(Cl)nc1C ZINC000120841799 823074855 /nfs/dbraw/zinc/07/48/55/823074855.db2.gz XBNFZAGRQGQMOC-UHFFFAOYSA-N 1 0 375.925 4.153 20 0 GIADRO C[C@H](CNc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)c1cccc(Cl)c1 ZINC000187495709 823074881 /nfs/dbraw/zinc/07/48/81/823074881.db2.gz QKNDVGHDUMGXCC-MRXNPFEDSA-N 1 0 385.939 4.253 20 0 GIADRO Cc1noc(C)c1CCCNC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000120847185 823075603 /nfs/dbraw/zinc/07/56/03/823075603.db2.gz OUGYPXKLAHBSRK-KRWDZBQOSA-N 1 0 398.551 4.098 20 0 GIADRO CCCC[N@H+](C)C[C@H](C)NC(=O)Nc1ccc(Cc2nc(C(C)C)no2)cc1 ZINC000570721672 823076039 /nfs/dbraw/zinc/07/60/39/823076039.db2.gz NWQVHZZSPOCXCH-INIZCTEOSA-N 1 0 387.528 4.026 20 0 GIADRO CCC(=O)Nc1ccc(NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)cc1 ZINC000175941184 823077701 /nfs/dbraw/zinc/07/77/01/823077701.db2.gz HZSYBDPOQPUTFD-UHFFFAOYSA-N 1 0 394.519 4.163 20 0 GIADRO CCc1nc2cc(C[NH2+]Cc3ccc(OC)c(OC)c3OC)ccc2n1C1CC1 ZINC000570732446 823077932 /nfs/dbraw/zinc/07/79/32/823077932.db2.gz IECMUCAMCRYLJG-UHFFFAOYSA-N 1 0 395.503 4.249 20 0 GIADRO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC(C)(C)[C@@H]1c1ccncc1)[NH+](C)C ZINC000458752778 823081514 /nfs/dbraw/zinc/08/15/14/823081514.db2.gz BVVJKXVJFPNDBC-YYWHXJBOSA-N 1 0 380.536 4.174 20 0 GIADRO O=C(CCSc1ccnc2cc(Cl)ccc21)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000175955364 823081601 /nfs/dbraw/zinc/08/16/01/823081601.db2.gz CLYLWWMFHBCAJC-INIZCTEOSA-N 1 0 389.952 4.067 20 0 GIADRO CCOc1ccc(NC(=O)C[NH2+][C@@H](c2ncccc2C)C(C)C)cc1OCC ZINC000120864343 823079103 /nfs/dbraw/zinc/07/91/03/823079103.db2.gz YXSSTHTVPSIBMM-OAQYLSRUSA-N 1 0 385.508 4.113 20 0 GIADRO CC(C)c1ccc(NC(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)c(C(C)C)c1 ZINC000175946039 823079136 /nfs/dbraw/zinc/07/91/36/823079136.db2.gz JEPYPPCNXDOEGC-UHFFFAOYSA-N 1 0 387.568 4.251 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)N(C)CCCc2cc(-c3ccccc3)no2)CC1 ZINC000175960890 823082822 /nfs/dbraw/zinc/08/28/22/823082822.db2.gz RFMOMNZMOQSKOG-UHFFFAOYSA-N 1 0 398.551 4.038 20 0 GIADRO CCC[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)NC)cc1)c1ccc(F)cc1F ZINC000120894461 823083180 /nfs/dbraw/zinc/08/31/80/823083180.db2.gz ZQRSGTWLYCRMCM-ORAYPTAESA-N 1 0 382.476 4.065 20 0 GIADRO O=C(CCCc1cc(Cl)sc1Cl)NC1CC[NH+](CC2CC2)CC1 ZINC000175966799 823083712 /nfs/dbraw/zinc/08/37/12/823083712.db2.gz BUYVQVZXRMIZRK-UHFFFAOYSA-N 1 0 375.365 4.368 20 0 GIADRO Cc1cc(C[NH+]2CCC(c3nnc4ccccn43)CC2)sc1Br ZINC000120909359 823085311 /nfs/dbraw/zinc/08/53/11/823085311.db2.gz HYXNCQMCVLPMTI-UHFFFAOYSA-N 1 0 391.338 4.241 20 0 GIADRO c1sc(C[NH+]2CCC(c3nnc4ccccn43)CC2)nc1-c1ccccc1 ZINC000120908332 823085456 /nfs/dbraw/zinc/08/54/56/823085456.db2.gz LPLVSOVOFJSSLT-UHFFFAOYSA-N 1 0 375.501 4.232 20 0 GIADRO CCOc1ccc2c(c1)[C@H](NC(=O)c1oc3ccccc3c1C[NH+](C)C)CCO2 ZINC000187542427 823085764 /nfs/dbraw/zinc/08/57/64/823085764.db2.gz AAMAGRBDTDBXFG-LJQANCHMSA-N 1 0 394.471 4.147 20 0 GIADRO Cc1cc(NC(=O)NC2CC[NH+](CCOC(C)C)CC2)ccc1C(F)(F)F ZINC000175972975 823085803 /nfs/dbraw/zinc/08/58/03/823085803.db2.gz LDEJTPOJFBOTDS-UHFFFAOYSA-N 1 0 387.446 4.025 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)NC[C@@H](c2ccccc2)C2CC2)CC1 ZINC000458793167 823086134 /nfs/dbraw/zinc/08/61/34/823086134.db2.gz MQNNXRQRHWTVLP-DEOSSOPVSA-N 1 0 391.559 4.486 20 0 GIADRO CCOc1ccc2c(c1)[C@H]([NH2+]Cc1c[nH]nc1-c1ccc(OC)cc1)CCO2 ZINC000187553199 823087593 /nfs/dbraw/zinc/08/75/93/823087593.db2.gz HQZOKOSFCUQZJM-HXUWFJFHSA-N 1 0 379.460 4.097 20 0 GIADRO COc1cccc([C@H](CNC(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)[NH+]2CCCC2)c1 ZINC000056144423 823087859 /nfs/dbraw/zinc/08/78/59/823087859.db2.gz CPWKSYILWJURBV-FHWLQOOXSA-N 1 0 398.469 4.317 20 0 GIADRO CCN1CCC([NH+]2CCC(C(=O)N3CCC[C@@H]3c3ccc(C)c(C)c3)CC2)CC1 ZINC000570825601 823092251 /nfs/dbraw/zinc/09/22/51/823092251.db2.gz VEELZWQLTKTBNB-XMMPIXPASA-N 1 0 397.607 4.163 20 0 GIADRO Cc1cc(C)c(NC(=O)N(CC[NH+](C)C)Cc2ccco2)cc1Br ZINC000187558757 823088239 /nfs/dbraw/zinc/08/82/39/823088239.db2.gz XRTYFJCQTUUFQJ-UHFFFAOYSA-N 1 0 394.313 4.255 20 0 GIADRO CC[C@@]1(CO)CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2Cc2ccccc2)C1 ZINC000187562174 823088895 /nfs/dbraw/zinc/08/88/95/823088895.db2.gz CSYHTCZLGHQOJH-YADARESESA-N 1 0 380.532 4.089 20 0 GIADRO FC(F)(F)c1cc(N2CCC([NH+]3CCCCC3)CC2)ncc1Br ZINC000570797299 823088932 /nfs/dbraw/zinc/08/89/32/823088932.db2.gz XRZWWMQNEXQKJW-UHFFFAOYSA-N 1 0 392.263 4.318 20 0 GIADRO Cc1nc(COC(C)(C)C)oc1C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000570805254 823089585 /nfs/dbraw/zinc/08/95/85/823089585.db2.gz FNOOVLUMXFLPDQ-SFHVURJKSA-N 1 0 391.556 4.073 20 0 GIADRO CCC(C)(C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000056153023 823089913 /nfs/dbraw/zinc/08/99/13/823089913.db2.gz MDSADAHCEXRFHK-IAGOWNOFSA-N 1 0 381.520 4.283 20 0 GIADRO CCC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000056153086 823089999 /nfs/dbraw/zinc/08/99/99/823089999.db2.gz BEXLVJWTPSBKKI-OKZBNKHCSA-N 1 0 381.520 4.283 20 0 GIADRO Cc1nc(NC(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)sc1Cc1ccc(C)cc1 ZINC000570811418 823090240 /nfs/dbraw/zinc/09/02/40/823090240.db2.gz XJIRZFBSJWQAOO-MOPGFXCFSA-N 1 0 398.576 4.204 20 0 GIADRO CCc1cc2c(C[NH2+][C@H](C)c3cc(OC)c(OC)cc3C)cc(=O)oc2cc1O ZINC000056154108 823090532 /nfs/dbraw/zinc/09/05/32/823090532.db2.gz YXXYBILCLUPCBG-CQSZACIVSA-N 1 0 397.471 4.237 20 0 GIADRO CCc1noc(C2CCC([NH2+]Cc3ccc(Br)cc3OC)CC2)n1 ZINC000187573209 823090641 /nfs/dbraw/zinc/09/06/41/823090641.db2.gz WLAIRIISTFKIDS-UHFFFAOYSA-N 1 0 394.313 4.219 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CN[C@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000056156178 823091227 /nfs/dbraw/zinc/09/12/27/823091227.db2.gz ZSFAHWKXXPIWFJ-DVECYGJZSA-N 1 0 391.559 4.028 20 0 GIADRO C[NH+](C)CCN(Cc1ccccc1)C(=O)NCc1ccc(C(C)(F)F)cc1 ZINC000458820599 823091703 /nfs/dbraw/zinc/09/17/03/823091703.db2.gz RHPCLBGQTGUUEI-UHFFFAOYSA-N 1 0 375.463 4.072 20 0 GIADRO CCCOc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2c(F)cccc2F)cc1OC ZINC000056161843 823092980 /nfs/dbraw/zinc/09/29/80/823092980.db2.gz SHPZUFHDDYXSEL-KGLIPLIRSA-N 1 0 392.446 4.440 20 0 GIADRO C[NH+](C)CC1CCN(C(=O)NC[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000458829752 823093508 /nfs/dbraw/zinc/09/35/08/823093508.db2.gz BOYUUFHXAQRCEC-WMLDXEAASA-N 1 0 384.351 4.080 20 0 GIADRO CCCOc1cc(C[NH+]2CCC(C(=O)NCc3ccccc3)CC2)ccc1OC ZINC000120963075 823093816 /nfs/dbraw/zinc/09/38/16/823093816.db2.gz OCGWIYXMWZOKPB-UHFFFAOYSA-N 1 0 396.531 4.012 20 0 GIADRO C[C@H]1[C@@H](NC(=O)N(CCC(F)(F)F)CC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000570841400 823094162 /nfs/dbraw/zinc/09/41/62/823094162.db2.gz AFIMTYSTGDPYKM-YJBOKZPZSA-N 1 0 383.458 4.023 20 0 GIADRO Cc1onc(-c2ccccc2)c1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000570843208 823094362 /nfs/dbraw/zinc/09/43/62/823094362.db2.gz OLEPAFOACGPMTK-JXFKEZNVSA-N 1 0 375.472 4.043 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cc(C)no2)ccc1OCCC(C)C ZINC000056183178 823097836 /nfs/dbraw/zinc/09/78/36/823097836.db2.gz VUWKNCZKCLIEEZ-HOTGVXAUSA-N 1 0 389.496 4.094 20 0 GIADRO CC[NH+]1CCN(c2ccc(N[C@@H](C)C(=O)Nc3ccc(C)c(F)c3)c(C)c2)CC1 ZINC000056170322 823094913 /nfs/dbraw/zinc/09/49/13/823094913.db2.gz RSJMGSBNVVGEDG-SFHVURJKSA-N 1 0 398.526 4.024 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1c[nH]cc1-c1ccc(F)cc1 ZINC000570847629 823094864 /nfs/dbraw/zinc/09/48/64/823094864.db2.gz TUIAWCLMZFNIPR-SBUREZEXSA-N 1 0 391.490 4.461 20 0 GIADRO COc1ccc(OC)c(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(OC(C)C)cc2)c1 ZINC000056170544 823095189 /nfs/dbraw/zinc/09/51/89/823095189.db2.gz RJFJCESHXVCFBS-HZPDHXFCSA-N 1 0 386.492 4.169 20 0 GIADRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)c1cc(F)c(Cl)cc1F ZINC000120978866 823096396 /nfs/dbraw/zinc/09/63/96/823096396.db2.gz FYBXYJBSPOLZBZ-UHFFFAOYSA-N 1 0 384.879 4.322 20 0 GIADRO COCC1=CC[N@H+](Cc2ccc(OCc3cn4cccc(C)c4n3)cc2)CC1 ZINC000187613283 823098053 /nfs/dbraw/zinc/09/80/53/823098053.db2.gz KHOXEKOLWWLIKM-UHFFFAOYSA-N 1 0 377.488 4.000 20 0 GIADRO CSc1ccc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)s1 ZINC000570865100 823098293 /nfs/dbraw/zinc/09/82/93/823098293.db2.gz OYYZNBRIQHDQFC-GFCCVEGCSA-N 1 0 381.954 4.369 20 0 GIADRO COc1cc(NC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)c(C)c(OC)c1 ZINC000570867659 823099056 /nfs/dbraw/zinc/09/90/56/823099056.db2.gz OUENHCYHVIPIKK-SFHVURJKSA-N 1 0 391.899 4.090 20 0 GIADRO O=C(N[C@H]1C[C@H](c2ccccc2Cl)C1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000458865718 823099345 /nfs/dbraw/zinc/09/93/45/823099345.db2.gz MZQRJBMOODNHJD-BZSNNMDCSA-N 1 0 375.944 4.246 20 0 GIADRO Cc1nc(CNC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)sc1C ZINC000176027268 823099371 /nfs/dbraw/zinc/09/93/71/823099371.db2.gz JWWXXNBNBQBCBA-UHFFFAOYSA-N 1 0 386.565 4.135 20 0 GIADRO CC(C)(CO)[C@@H]([NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)c1ccccc1 ZINC000570889495 823102841 /nfs/dbraw/zinc/10/28/41/823102841.db2.gz YJPXJDOKAZMIPB-KXBFYZLASA-N 1 0 398.330 4.083 20 0 GIADRO CC(C)CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000056207100 823103247 /nfs/dbraw/zinc/10/32/47/823103247.db2.gz XPWSVPIMMJWBQI-IAGOWNOFSA-N 1 0 399.510 4.279 20 0 GIADRO CC[C@@]1(CO)CCC[N@H+](Cc2cc(-c3c(OC)ccc4ccccc43)no2)C1 ZINC000187624798 823099925 /nfs/dbraw/zinc/09/99/25/823099925.db2.gz DZOXCILRHHPDNI-HSZRJFAPSA-N 1 0 380.488 4.488 20 0 GIADRO CC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000056207087 823103265 /nfs/dbraw/zinc/10/32/65/823103265.db2.gz CURBSAHVVWCEHL-HRCADAONSA-N 1 0 385.483 4.032 20 0 GIADRO CC[C@]1(CO)CCC[N@@H+]([C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000187641273 823103252 /nfs/dbraw/zinc/10/32/52/823103252.db2.gz FACFLQRTCFGLGM-UGSOOPFHSA-N 1 0 383.414 4.301 20 0 GIADRO CSc1ccc([C@H](CNC(=O)NC2CCC(C(F)F)CC2)[NH+](C)C)cc1 ZINC000458878988 823100668 /nfs/dbraw/zinc/10/06/68/823100668.db2.gz BZJGYEVNLPYKNQ-DQPZFDDXSA-N 1 0 385.524 4.134 20 0 GIADRO COc1ccc2ccccc2c1C[NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(OC)c1 ZINC000121002611 823100850 /nfs/dbraw/zinc/10/08/50/823100850.db2.gz ASJODVQKMPRXDJ-OAHLLOKOSA-N 1 0 399.512 4.111 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@H]1CCCc2c(F)cccc21 ZINC000458890059 823102421 /nfs/dbraw/zinc/10/24/21/823102421.db2.gz UBXVOJIVPKSPCA-QFIPXVFZSA-N 1 0 396.510 4.156 20 0 GIADRO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]([NH2+]C[C@@H]1CCCOC1)c1ccccc1 ZINC000056205932 823102595 /nfs/dbraw/zinc/10/25/95/823102595.db2.gz ZQEJHHCLUZRZSG-KXBFYZLASA-N 1 0 392.421 4.401 20 0 GIADRO CCCc1c(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])cnn1-c1ccc(F)cc1 ZINC000570925298 823108318 /nfs/dbraw/zinc/10/83/18/823108318.db2.gz PWECCHFTNCCUMA-MEWABEDBSA-N 1 0 384.499 4.056 20 0 GIADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc(OC(F)(F)F)c(Cl)c1 ZINC000570925156 823108384 /nfs/dbraw/zinc/10/83/84/823108384.db2.gz HPAINPBZOCUESB-SMDDNHRTSA-N 1 0 391.821 4.329 20 0 GIADRO O=C(N[C@H]1CCCc2c(F)cc(F)cc21)N1CCC([NH+]2CCCCC2)CC1 ZINC000458905255 823104351 /nfs/dbraw/zinc/10/43/51/823104351.db2.gz OGZULVJDQDBBPI-FQEVSTJZSA-N 1 0 377.479 4.002 20 0 GIADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc(OC(F)(F)F)c(Cl)c1 ZINC000570925155 823108425 /nfs/dbraw/zinc/10/84/25/823108425.db2.gz HPAINPBZOCUESB-RISCZKNCSA-N 1 0 391.821 4.329 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NC[C@@H]2CSc3ccccc32)C1 ZINC000458908217 823104976 /nfs/dbraw/zinc/10/49/76/823104976.db2.gz GNAKSZYVOXZCAY-CEXWTWQISA-N 1 0 387.593 4.172 20 0 GIADRO C[C@H](Nc1ccc(CC[NH+]2CCCCC2)cc1)C(=O)Nc1cc(F)ccc1F ZINC000056216173 823105193 /nfs/dbraw/zinc/10/51/93/823105193.db2.gz IIZVACWSWSFYPA-INIZCTEOSA-N 1 0 387.474 4.432 20 0 GIADRO CC(C)c1ccccc1NC(=O)[C@@H](C)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000056215960 823105257 /nfs/dbraw/zinc/10/52/57/823105257.db2.gz LVNBJEBIHALHOY-LJQANCHMSA-N 1 0 395.547 4.124 20 0 GIADRO C[N@@H+]1CC[C@@H](CSc2nnc(-c3ccccc3F)n2Cc2ccccc2)C1 ZINC000187651362 823105516 /nfs/dbraw/zinc/10/55/16/823105516.db2.gz CAYSOLCXVYSZFT-QGZVFWFLSA-N 1 0 382.508 4.176 20 0 GIADRO CCOc1ccc(NC2CC[NH+](Cc3ccncc3)CC2)cc1Br ZINC000187653400 823105771 /nfs/dbraw/zinc/10/57/71/823105771.db2.gz RZKYADQDJLTJKQ-UHFFFAOYSA-N 1 0 390.325 4.319 20 0 GIADRO COc1ccc2ccccc2c1-c1cc(C[N@@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)on1 ZINC000570906636 823106029 /nfs/dbraw/zinc/10/60/29/823106029.db2.gz GCSWHCGNLLDNDY-KSZLIROESA-N 1 0 378.472 4.096 20 0 GIADRO C[C@H](NC(=O)N[C@@H](c1ccsc1)c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]C1 ZINC000570911164 823106588 /nfs/dbraw/zinc/10/65/88/823106588.db2.gz KTXCVKFXWGNUDB-JCKWVBRZSA-N 1 0 377.941 4.178 20 0 GIADRO C[NH+](C)[C@H]1CCOc2c(NC(=O)c3nc4ccccc4nc3C3CC3)cccc21 ZINC000570915466 823107169 /nfs/dbraw/zinc/10/71/69/823107169.db2.gz FHEUXEOSGLJJFX-IBGZPJMESA-N 1 0 388.471 4.145 20 0 GIADRO O=C(C1CC[NH+](Cc2cccc(-c3ccccn3)c2)CC1)N1CCCCCC1 ZINC000121042223 823107657 /nfs/dbraw/zinc/10/76/57/823107657.db2.gz LBOJOXWGTWEZDV-UHFFFAOYSA-N 1 0 377.532 4.363 20 0 GIADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)N[C@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000176053552 823107949 /nfs/dbraw/zinc/10/79/49/823107949.db2.gz JKQOZKWDCBBXOG-CCKFTAQKSA-N 1 0 391.968 4.473 20 0 GIADRO O=C(N[C@H]1CCCC[C@H]1CC(F)(F)F)N1CCC([NH+]2CCCCC2)CC1 ZINC000458939430 823109196 /nfs/dbraw/zinc/10/91/96/823109196.db2.gz DJVQIYKZVRDPOY-RDJZCZTQSA-N 1 0 375.479 4.158 20 0 GIADRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)N2CC[C@@H](c3ccc(F)cc3)C2)[C@H](C(F)(F)F)C1 ZINC000570949481 823111340 /nfs/dbraw/zinc/11/13/40/823111340.db2.gz XOLKVEMSLQKAHC-DJIMGWMZSA-N 1 0 386.433 4.050 20 0 GIADRO C[C@H](C[C@@H](O)c1ccc(F)cc1)[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000121067001 823112007 /nfs/dbraw/zinc/11/20/07/823112007.db2.gz FKNSYASTWBSRJR-LRAJWGHMSA-N 1 0 385.483 4.272 20 0 GIADRO CCC[C@@H]([NH2+]C1CCN(C(=O)Cc2ccccc2OC)CC1)c1ccsc1 ZINC000187684190 823112484 /nfs/dbraw/zinc/11/24/84/823112484.db2.gz WRXBZMFWCKENNM-HXUWFJFHSA-N 1 0 386.561 4.421 20 0 GIADRO C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC000176072707 823112836 /nfs/dbraw/zinc/11/28/36/823112836.db2.gz CPVIHZJNDCYRNE-UYAOXDASSA-N 1 0 397.563 4.294 20 0 GIADRO CCc1ccc(C[C@H](Cc2ccc(Cl)cc2)[NH2+]C2CCN(C(C)=O)CC2)nc1 ZINC000570966229 823112948 /nfs/dbraw/zinc/11/29/48/823112948.db2.gz SSFZYISMPAOWMU-QHCPKHFHSA-N 1 0 399.966 4.052 20 0 GIADRO Cc1coc(-c2ccc(C)c(NC(=O)NCC[N@@H+](C)Cc3ccc(F)cc3)c2)n1 ZINC000121071118 823112958 /nfs/dbraw/zinc/11/29/58/823112958.db2.gz XKTIUYIJLFAFRF-UHFFFAOYSA-N 1 0 396.466 4.351 20 0 GIADRO C[C@H](NC(=O)Nc1cccc(NC(=O)c2cccs2)c1)C(C)(C)C[NH+](C)C ZINC000121074459 823113443 /nfs/dbraw/zinc/11/34/43/823113443.db2.gz HKSIEQLFUBCBGX-AWEZNQCLSA-N 1 0 388.537 4.098 20 0 GIADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000570976323 823114480 /nfs/dbraw/zinc/11/44/80/823114480.db2.gz SCEFOAPQPMQFBV-OAHLLOKOSA-N 1 0 388.537 4.242 20 0 GIADRO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@H](c1cccs1)N(C)C ZINC000121087084 823116112 /nfs/dbraw/zinc/11/61/12/823116112.db2.gz DSAQMGLAGMHRTM-XJKSGUPXSA-N 1 0 399.482 4.377 20 0 GIADRO C[NH+](C)CCCCC(=O)NC1(c2cccc(Br)c2)CCCCC1 ZINC000570988932 823116314 /nfs/dbraw/zinc/11/63/14/823116314.db2.gz FKZLICFHPBLURL-UHFFFAOYSA-N 1 0 381.358 4.457 20 0 GIADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)Nc2cc(-c3ccccc3)on2)CC1 ZINC000121103859 823119436 /nfs/dbraw/zinc/11/94/36/823119436.db2.gz JNLCLTAWRLHXTP-INIZCTEOSA-N 1 0 391.475 4.084 20 0 GIADRO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1cc(C)nc(-c2ccc(Cl)cc2)n1 ZINC000570996130 823117546 /nfs/dbraw/zinc/11/75/46/823117546.db2.gz DJXYQFOWNOZHAV-SFHVURJKSA-N 1 0 386.927 4.052 20 0 GIADRO CC[C@H](C)[NH2+][C@H](CNC(=O)c1cccc(C(=O)OC(C)(C)C)c1)c1ccco1 ZINC000570997974 823117674 /nfs/dbraw/zinc/11/76/74/823117674.db2.gz JQWNHSRJPSNDIV-MAUKXSAKSA-N 1 0 386.492 4.094 20 0 GIADRO CCCCCNC(=O)C1CC[NH+](Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000056284267 823120932 /nfs/dbraw/zinc/12/09/32/823120932.db2.gz NEMZVOWYKFNJER-UHFFFAOYSA-N 1 0 386.458 4.146 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)Cc2cccc(C(F)(F)F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000176102645 823121172 /nfs/dbraw/zinc/12/11/72/823121172.db2.gz SIWXLBIOOGAQSZ-UZLBHIALSA-N 1 0 390.449 4.417 20 0 GIADRO COc1ccc(SCCC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000176103078 823121377 /nfs/dbraw/zinc/12/13/77/823121377.db2.gz RGUAHUKSPLEDNJ-AZUAARDMSA-N 1 0 398.572 4.347 20 0 GIADRO COc1ccc(SCCC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000176103062 823121409 /nfs/dbraw/zinc/12/14/09/823121409.db2.gz RGUAHUKSPLEDNJ-UYAOXDASSA-N 1 0 398.572 4.347 20 0 GIADRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(Cn3cncn3)cc1)CCCS2 ZINC000187734571 823121708 /nfs/dbraw/zinc/12/17/08/823121708.db2.gz CLKXNLGHBNWSSP-FQEVSTJZSA-N 1 0 380.517 4.052 20 0 GIADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)NC[C@H]1CCO[C@H](C(C)C)C1 ZINC000459060441 823122162 /nfs/dbraw/zinc/12/21/62/823122162.db2.gz LBERDSJMPWIDQU-ICSRJNTNSA-N 1 0 395.613 4.053 20 0 GIADRO COc1ccc(C[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)cc1OCCC(C)C ZINC000571028922 823122307 /nfs/dbraw/zinc/12/23/07/823122307.db2.gz LVLUXXXGMWIWEW-APWZRJJASA-N 1 0 389.458 4.255 20 0 GIADRO Cc1onc(-c2ccccc2)c1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000176110215 823123281 /nfs/dbraw/zinc/12/32/81/823123281.db2.gz PTJDIYNVDQAEOP-UTKZUKDTSA-N 1 0 389.499 4.433 20 0 GIADRO CC(C)Oc1cccc([C@@H](C)[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000121147744 823127021 /nfs/dbraw/zinc/12/70/21/823127021.db2.gz SINWHLSCYQMMRN-IAGOWNOFSA-N 1 0 390.549 4.136 20 0 GIADRO CCO[C@@H]1C[C@]([NH3+])(C(=O)Nc2cccc(OCc3cccc(C)c3)c2)C1(C)C ZINC000187760873 823127533 /nfs/dbraw/zinc/12/75/33/823127533.db2.gz CXADXNSJRBRPTL-OFNKIYASSA-N 1 0 382.504 4.045 20 0 GIADRO COc1ccccc1[C@@H]1CC[C@@H](C)CN1C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000459115476 823130056 /nfs/dbraw/zinc/13/00/56/823130056.db2.gz UCACIZPEDMUFLT-UTKZUKDTSA-N 1 0 385.552 4.195 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000459116233 823130137 /nfs/dbraw/zinc/13/01/37/823130137.db2.gz UDUKAGNLELYVOZ-IBGZPJMESA-N 1 0 393.984 4.156 20 0 GIADRO COc1ccccc1[C@H]1CC[C@H](C)CN1C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000459115472 823130156 /nfs/dbraw/zinc/13/01/56/823130156.db2.gz UCACIZPEDMUFLT-LAUBAEHRSA-N 1 0 385.552 4.195 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)N(CCc1ccc(F)cc1)C1CCCC1 ZINC000459113224 823129307 /nfs/dbraw/zinc/12/93/07/823129307.db2.gz RYDLATUXQAPKJR-UHFFFAOYSA-N 1 0 387.543 4.339 20 0 GIADRO C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)c1 ZINC000056332112 823129390 /nfs/dbraw/zinc/12/93/90/823129390.db2.gz MIKQGEWBDYBRNW-VGOFRKELSA-N 1 0 391.515 4.172 20 0 GIADRO Cc1nc(-c2ccccc2)oc1C(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000176126237 823129529 /nfs/dbraw/zinc/12/95/29/823129529.db2.gz KEOZIBOKHCKCFQ-UHFFFAOYSA-N 1 0 389.499 4.387 20 0 GIADRO COc1cc([C@@H](C)[NH2+]C[C@@]2(C)OCCc3sccc32)ccc1OC(F)F ZINC000571096190 823131472 /nfs/dbraw/zinc/13/14/72/823131472.db2.gz KBKGGOLDHGUZMP-CWTRNNRKSA-N 1 0 383.460 4.497 20 0 GIADRO CCCOc1ccc(-c2nc(C(=O)N(C)[C@@H]3CC[N@H+](C)C[C@@H]3C)cs2)cc1 ZINC000121175230 823132354 /nfs/dbraw/zinc/13/23/54/823132354.db2.gz VGCGAMFHIUVDBG-HNAYVOBHSA-N 1 0 387.549 4.011 20 0 GIADRO C[N@H+](CCCCNC(=O)N(Cc1cccc(-c2cccnc2)c1)C1CC1)C1CC1 ZINC000459131947 823132440 /nfs/dbraw/zinc/13/24/40/823132440.db2.gz BJMYEHBYXNMXEL-UHFFFAOYSA-N 1 0 392.547 4.297 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)Cc2coc(-c3cccs3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000176135169 823132489 /nfs/dbraw/zinc/13/24/89/823132489.db2.gz WLVIPOCRVGLAMF-SJLPKXTDSA-N 1 0 395.528 4.115 20 0 GIADRO Cn1ncc(Br)c1C[NH2+]C(Cc1ccccc1)Cc1ccccc1 ZINC000571112591 823133882 /nfs/dbraw/zinc/13/38/82/823133882.db2.gz RXFZYAAGVUSTRN-UHFFFAOYSA-N 1 0 384.321 4.126 20 0 GIADRO c1c2c(sc1-c1nnc(CN3CCC[C@H]3C[NH+]3CCCCC3)o1)CCCC2 ZINC000121190002 823135226 /nfs/dbraw/zinc/13/52/26/823135226.db2.gz BGDALNZSCRSEJF-KRWDZBQOSA-N 1 0 386.565 4.127 20 0 GIADRO Fc1ccc(-c2nc3c(s2)[C@@H]([NH2+]CCOC[C@@H]2CCCO2)CCC3)cc1 ZINC000121190724 823135234 /nfs/dbraw/zinc/13/52/34/823135234.db2.gz LNUKYYNLNHOYMU-IRXDYDNUSA-N 1 0 376.497 4.112 20 0 GIADRO CCSc1cc(C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)ccn1 ZINC000187800717 823136135 /nfs/dbraw/zinc/13/61/35/823136135.db2.gz IKUOTIPZSSXVEP-UHFFFAOYSA-N 1 0 389.952 4.241 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000187804900 823137255 /nfs/dbraw/zinc/13/72/55/823137255.db2.gz KOCQJFTZVPSZRV-INIZCTEOSA-N 1 0 394.412 4.439 20 0 GIADRO CC(C)OCC[NH+]1CCC(NC(=O)N[C@H](C)c2cccc3ccccc32)CC1 ZINC000176153493 823137429 /nfs/dbraw/zinc/13/74/29/823137429.db2.gz CHKRPYUIMXYESN-GOSISDBHSA-N 1 0 383.536 4.089 20 0 GIADRO CC(C)COC1CCN(C(=O)NCc2ccccc2C[NH+]2CCCCC2)CC1 ZINC000056373381 823139200 /nfs/dbraw/zinc/13/92/00/823139200.db2.gz SPBOXUDPZYQUDI-UHFFFAOYSA-N 1 0 387.568 4.019 20 0 GIADRO COc1ccc([C@@H](NC(=O)N2CCC(CCC[NH+](C)C)CC2)c2ccco2)cc1 ZINC000459181677 823139545 /nfs/dbraw/zinc/13/95/45/823139545.db2.gz XRUQGQLHQNVKNP-JOCHJYFZSA-N 1 0 399.535 4.141 20 0 GIADRO Cc1ccc([C@@H]2C[C@H](C)N(C(=O)C3CCN(c4cc[nH+]cc4C)CC3)C2)cc1 ZINC000571140473 823140101 /nfs/dbraw/zinc/14/01/01/823140101.db2.gz USOWRMCYINYIKF-SIKLNZKXSA-N 1 0 377.532 4.319 20 0 GIADRO Cc1cc(C[NH2+]C[C@@H](O)c2ccccc2F)cc(C)c1OCc1ccccn1 ZINC000121219049 823140883 /nfs/dbraw/zinc/14/08/83/823140883.db2.gz MEYKLQXCSPNICU-JOCHJYFZSA-N 1 0 380.463 4.240 20 0 GIADRO O=C(C[N@@H+]1CCCCC[C@@H]1c1ccco1)N1CCc2[nH]c3ccccc3c2C1 ZINC000121241698 823145723 /nfs/dbraw/zinc/14/57/23/823145723.db2.gz HIQFHPAZCXRIJS-OAQYLSRUSA-N 1 0 377.488 4.263 20 0 GIADRO CN(CCCOc1ccc(Cl)cc1)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000056396091 823142425 /nfs/dbraw/zinc/14/24/25/823142425.db2.gz IWTSWCFHUVCKQF-UHFFFAOYSA-N 1 0 389.927 4.012 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CC[C@@H](O)[C@H]3c3ccc(Cl)cc3)ccc21 ZINC000571160394 823142828 /nfs/dbraw/zinc/14/28/28/823142828.db2.gz CUUWZIURHQVMSY-PWRODBHTSA-N 1 0 399.922 4.229 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)NCCc2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000121229516 823143186 /nfs/dbraw/zinc/14/31/86/823143186.db2.gz KPYOPFMIFRPQJQ-PGRDOPGGSA-N 1 0 383.511 4.063 20 0 GIADRO O=C(NCc1ccc2c[nH+]cn2c1)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000459201961 823143249 /nfs/dbraw/zinc/14/32/49/823143249.db2.gz UTUHHZJDEFIAPR-INIZCTEOSA-N 1 0 388.393 4.052 20 0 GIADRO CCOc1cccc2cc([C@H](C)NC(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)oc21 ZINC000121237685 823144957 /nfs/dbraw/zinc/14/49/57/823144957.db2.gz LAUOSNQXAZZJFI-FUHWJXTLSA-N 1 0 385.508 4.162 20 0 GIADRO COc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CCCC[C@@H]3C(F)(F)F)CC2)cc1 ZINC000056407321 823145017 /nfs/dbraw/zinc/14/50/17/823145017.db2.gz VMPFDRVXPYSVMU-OALUTQOASA-N 1 0 398.469 4.098 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H](C)C[C@@H](O)c1cccs1 ZINC000121217006 823140608 /nfs/dbraw/zinc/14/06/08/823140608.db2.gz KMBYTVBRQRJLGE-HEHGZKQESA-N 1 0 396.940 4.229 20 0 GIADRO C[N@H+](Cc1ccc(-c2ccccc2)s1)C1CCN(CCn2cccn2)CC1 ZINC000121216309 823140612 /nfs/dbraw/zinc/14/06/12/823140612.db2.gz WXORVDXUSNFXCZ-UHFFFAOYSA-N 1 0 380.561 4.208 20 0 GIADRO Cc1c(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)oc2c1c(C)ccc2C ZINC000056413259 823146251 /nfs/dbraw/zinc/14/62/51/823146251.db2.gz SMJKBBZBIRDHBP-UHFFFAOYSA-N 1 0 377.488 4.147 20 0 GIADRO CN(C)c1noc([C@@H]2CCC[N@H+](Cc3cnc(C4CCCCC4)s3)C2)n1 ZINC000571193105 823146692 /nfs/dbraw/zinc/14/66/92/823146692.db2.gz UTKYHDHKAHFTSN-OAHLLOKOSA-N 1 0 375.542 4.019 20 0 GIADRO CCc1ccc([C@@H](NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)C(C)C)cc1 ZINC000056422089 823147606 /nfs/dbraw/zinc/14/76/06/823147606.db2.gz WYIIEWRLMKQHMT-QHCPKHFHSA-N 1 0 394.563 4.305 20 0 GIADRO CC[C@H](NC(=O)NC1CC[NH+](Cc2ccncc2)CC1)c1ccc(Cl)cc1 ZINC000056422002 823147639 /nfs/dbraw/zinc/14/76/39/823147639.db2.gz AYYKDWHZOBKSOP-FQEVSTJZSA-N 1 0 386.927 4.150 20 0 GIADRO COC[C@H]([NH2+]C[C@H]1CC2c3ccccc3C1c1ccccc12)C1CCOCC1 ZINC000187860860 823148385 /nfs/dbraw/zinc/14/83/85/823148385.db2.gz MTSWKMPJMZJRAN-YVSBVPJESA-N 1 0 377.528 4.315 20 0 GIADRO Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000187863743 823148918 /nfs/dbraw/zinc/14/89/18/823148918.db2.gz TVFOJCXPZMPURT-JOCHJYFZSA-N 1 0 389.478 4.355 20 0 GIADRO Cc1ccsc1CN(C)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000056441296 823149744 /nfs/dbraw/zinc/14/97/44/823149744.db2.gz SERWOVIVDWHAAN-UHFFFAOYSA-N 1 0 375.513 4.002 20 0 GIADRO C[N@H+](CCCO[C@@H]1CCCCO1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000571228203 823151835 /nfs/dbraw/zinc/15/18/35/823151835.db2.gz WUAKVQMOCXWHGW-SJLPKXTDSA-N 1 0 384.314 4.138 20 0 GIADRO C[N@@H+]1CCC[C@H](CCNC(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)C1 ZINC000459261592 823153340 /nfs/dbraw/zinc/15/33/40/823153340.db2.gz LEZJTRVVAVBECG-MRXNPFEDSA-N 1 0 396.000 4.338 20 0 GIADRO COc1ccccc1Oc1ccc(NC(=O)NCC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000459273636 823155066 /nfs/dbraw/zinc/15/50/66/823155066.db2.gz YHDDPYXEJCLNAF-KRWDZBQOSA-N 1 0 383.492 4.341 20 0 GIADRO COc1cccc(C[C@H]2CCCN2C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)c1 ZINC000571259213 823157126 /nfs/dbraw/zinc/15/71/26/823157126.db2.gz LDHLZPVOUKVYOW-NFBKMPQASA-N 1 0 393.531 4.483 20 0 GIADRO COc1cc(NC(=O)N(CC[NH+](C)C)Cc2ccsc2)c(OC)cc1Cl ZINC000459297983 823157956 /nfs/dbraw/zinc/15/79/56/823157956.db2.gz IJLIOIKXWAMJTQ-UHFFFAOYSA-N 1 0 397.928 4.014 20 0 GIADRO Cc1ccc([C@H]([NH2+]Cc2cccc([C@]3(C)NC(=O)NC3=O)c2)C2CCCC2)cc1 ZINC000187917564 823157999 /nfs/dbraw/zinc/15/79/99/823157999.db2.gz RCCPAKYSWWDWSB-QPPBQGQZSA-N 1 0 391.515 4.071 20 0 GIADRO Cc1cc(SC2CCCCC2)ccc1NC(=O)NCC[N@@H+]1CCCOCC1 ZINC000187941086 823161293 /nfs/dbraw/zinc/16/12/93/823161293.db2.gz FRMBOKLUCNCXDN-UHFFFAOYSA-N 1 0 391.581 4.264 20 0 GIADRO CCCC[N@H+](C)C[C@H](C)NC(=O)Nc1c(C)cc(Br)cc1OC ZINC000571293539 823161463 /nfs/dbraw/zinc/16/14/63/823161463.db2.gz ABQHLTJCPRPFGY-ZDUSSCGKSA-N 1 0 386.334 4.008 20 0 GIADRO CC[NH+](CC)CCCNC(=O)c1ccccc1SCc1cn2ccccc2n1 ZINC000121316561 823161886 /nfs/dbraw/zinc/16/18/86/823161886.db2.gz PYVOLKWIPZIHKB-UHFFFAOYSA-N 1 0 396.560 4.088 20 0 GIADRO CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CC[C@H](C[NH+](CC)CC)C1 ZINC000571300180 823161993 /nfs/dbraw/zinc/16/19/93/823161993.db2.gz HXDXSWCWXLSWLE-MSOLQXFVSA-N 1 0 384.486 4.464 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1ccccc1OC(F)F ZINC000121317146 823162193 /nfs/dbraw/zinc/16/21/93/823162193.db2.gz HOYHPQUDKCBMDY-UHFFFAOYSA-N 1 0 378.419 4.261 20 0 GIADRO CCN(Cc1c[nH]c2ccccc12)C(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000187951097 823162983 /nfs/dbraw/zinc/16/29/83/823162983.db2.gz OJIVBIHGLYBLEK-NRFANRHFSA-N 1 0 394.519 4.438 20 0 GIADRO CO[C@H](C)c1nc(C)c(C(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)s1 ZINC000176249441 823163009 /nfs/dbraw/zinc/16/30/09/823163009.db2.gz OPKTVEUIDPKDLE-CQSZACIVSA-N 1 0 395.956 4.016 20 0 GIADRO CC[C@H]([NH2+]CC1CCN(C(C)=O)CC1)c1ccc(Br)cc1Cl ZINC000187974036 823166151 /nfs/dbraw/zinc/16/61/51/823166151.db2.gz VFEADMNMGXSEII-KRWDZBQOSA-N 1 0 387.749 4.402 20 0 GIADRO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000571310973 823163656 /nfs/dbraw/zinc/16/36/56/823163656.db2.gz WNDBNYUQDCTVLG-NOOVBMIQSA-N 1 0 380.488 4.209 20 0 GIADRO CCOc1cc(CN2CCC[C@H]([NH+]3CCCC3)CC2)cc(Br)c1O ZINC000459336354 823163842 /nfs/dbraw/zinc/16/38/42/823163842.db2.gz CZSKDTIUJBODBO-INIZCTEOSA-N 1 0 397.357 4.004 20 0 GIADRO CC(=O)NC1CCC([NH2+][C@@H](CC2CC2)c2cc(F)cc(Br)c2)CC1 ZINC000187962533 823164448 /nfs/dbraw/zinc/16/44/48/823164448.db2.gz PGTLSRRGNMDFBJ-ACBHZAAOSA-N 1 0 397.332 4.466 20 0 GIADRO CO[C@H](C)c1nc(CN2CCC[N@H+](CC3CCC(F)(F)CC3)CC2)cs1 ZINC000459341592 823165431 /nfs/dbraw/zinc/16/54/31/823165431.db2.gz KBHXSEQGKOXSFV-OAHLLOKOSA-N 1 0 387.540 4.184 20 0 GIADRO COC[C@]1(C[NH2+][C@H](C)c2ccccc2C(F)(F)F)OCCc2ccccc21 ZINC000571333195 823166863 /nfs/dbraw/zinc/16/68/63/823166863.db2.gz KNWRMHLZFKNYBJ-QRWLVFNGSA-N 1 0 379.422 4.471 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1cccc(C(=O)NC2CC2)c1)c1cccc2ccccc21 ZINC000121346432 823167373 /nfs/dbraw/zinc/16/73/73/823167373.db2.gz RCZDJEJKVNMMJK-MRXNPFEDSA-N 1 0 387.483 4.021 20 0 GIADRO CC1(CNC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CCCCC1 ZINC000571339403 823167577 /nfs/dbraw/zinc/16/75/77/823167577.db2.gz HJMGVEXNDWVPMT-UHFFFAOYSA-N 1 0 375.479 4.061 20 0 GIADRO CCCC[NH+]1CCC(NC(=O)c2ccccc2CSC2=NCCS2)CC1 ZINC000176268171 823167867 /nfs/dbraw/zinc/16/78/67/823167867.db2.gz BGUSLCZFBVDDKJ-UHFFFAOYSA-N 1 0 391.606 4.017 20 0 GIADRO O=C(Nc1cc2c(cc1Cl)OCCO2)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176283079 823171786 /nfs/dbraw/zinc/17/17/86/823171786.db2.gz NABUFKTXFSDCNX-UHFFFAOYSA-N 1 0 393.915 4.030 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@H](C)[C@@H](C)c1ccccc1 ZINC000176271253 823168759 /nfs/dbraw/zinc/16/87/59/823168759.db2.gz QHWRQLMALGXSGL-RTBURBONSA-N 1 0 380.536 4.061 20 0 GIADRO Cc1ccc(C(=O)N2C[C@H](C)C[C@H](C)C2)cc1NC(=O)CC[N@@H+]1CCCC[C@@H]1C ZINC000571348534 823168882 /nfs/dbraw/zinc/16/88/82/823168882.db2.gz ZKHITCUWYKLOOL-NSHGMRRFSA-N 1 0 399.579 4.316 20 0 GIADRO Oc1cccc(C[N@@H+]2CC[C@@H](COCc3ccccc3)C2)c1Br ZINC000459361428 823171846 /nfs/dbraw/zinc/17/18/46/823171846.db2.gz GKTVILXXDQWVBG-MRXNPFEDSA-N 1 0 376.294 4.193 20 0 GIADRO Oc1cccc(CNc2ccccc2C[NH+]2CCSCC2)c1Br ZINC000459356821 823170200 /nfs/dbraw/zinc/17/02/00/823170200.db2.gz QQXKPDGUGYLASD-UHFFFAOYSA-N 1 0 393.350 4.316 20 0 GIADRO C[C@@H]([NH2+]CCN1CCc2c(Cl)cccc2C1)c1cccc(N2CCOC2=O)c1 ZINC000188005027 823170771 /nfs/dbraw/zinc/17/07/71/823170771.db2.gz NJNOYXOPGSLUNC-MRXNPFEDSA-N 1 0 399.922 4.006 20 0 GIADRO Cc1ccc([C@H](C)CNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)cc1 ZINC000176280606 823171152 /nfs/dbraw/zinc/17/11/52/823171152.db2.gz HLRIMNYUEGJEGV-HXUWFJFHSA-N 1 0 379.548 4.405 20 0 GIADRO COC[C@@]1(C[NH2+][C@H](C)c2ccccc2C(F)(F)F)OCCc2ccccc21 ZINC000571333190 823166487 /nfs/dbraw/zinc/16/64/87/823166487.db2.gz KNWRMHLZFKNYBJ-FOIQADDNSA-N 1 0 379.422 4.471 20 0 GIADRO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@]1(CO)C[C@@H]1c1ccccc1 ZINC000571368111 823172674 /nfs/dbraw/zinc/17/26/74/823172674.db2.gz PMQVHMQQICODLY-PKTZIBPZSA-N 1 0 395.934 4.398 20 0 GIADRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(Cc2ccncc2F)CC1 ZINC000459366305 823173824 /nfs/dbraw/zinc/17/38/24/823173824.db2.gz BWSWNXZHVRWBPM-UHFFFAOYSA-N 1 0 381.417 4.336 20 0 GIADRO C(=C\c1ccc(OCc2ccccc2)cc1)\C[N@@H+]1CCOC2(CCOCC2)C1 ZINC000459366885 823174067 /nfs/dbraw/zinc/17/40/67/823174067.db2.gz YCFMDWYMDWDGAC-DAXSKMNVSA-N 1 0 379.500 4.160 20 0 GIADRO C[C@@H](OCCCNC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)c1ccccc1 ZINC000121380003 823174016 /nfs/dbraw/zinc/17/40/16/823174016.db2.gz MDVZOFFCVSAYJN-LJQANCHMSA-N 1 0 399.535 4.053 20 0 GIADRO CC[C@@H](C)C(=O)Nc1cccc(C[NH2+]Cc2ccccc2N2CCO[C@H](C)C2)c1 ZINC000459377763 823177316 /nfs/dbraw/zinc/17/73/16/823177316.db2.gz VAIKTCIJLFOSRH-RTBURBONSA-N 1 0 395.547 4.186 20 0 GIADRO COc1ccc(-c2ccccc2C)cc1C[N@H+]1CCO[C@@H]2CC[C@@H](OC)C[C@@H]21 ZINC000459370848 823174795 /nfs/dbraw/zinc/17/47/95/823174795.db2.gz XPJXPDSQWPENPU-JCTONOIOSA-N 1 0 381.516 4.439 20 0 GIADRO CC(C)Oc1ccc(F)cc1NC(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000459371208 823174831 /nfs/dbraw/zinc/17/48/31/823174831.db2.gz JKVRLKMPPQAZMZ-UHFFFAOYSA-N 1 0 379.501 4.270 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)[C@@H]1SC ZINC000459378266 823177332 /nfs/dbraw/zinc/17/73/32/823177332.db2.gz QIBOVOKZIZWFKE-KQLYMOGASA-N 1 0 384.545 4.499 20 0 GIADRO COCc1cccc(C[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)c1 ZINC000459373191 823175435 /nfs/dbraw/zinc/17/54/35/823175435.db2.gz JXIHJXVRXRQUEU-UHFFFAOYSA-N 1 0 376.504 4.496 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]Cc1ccccc1N1CCO[C@@H](C)C1 ZINC000459374170 823175791 /nfs/dbraw/zinc/17/57/91/823175791.db2.gz JCNJFQYAQAKFHY-SFHVURJKSA-N 1 0 390.531 4.004 20 0 GIADRO CCOc1cccc2cc([C@H](C)NC(=O)N3CCCC[C@H]3[C@H]3CCC[NH2+]C3)oc21 ZINC000571387727 823176046 /nfs/dbraw/zinc/17/60/46/823176046.db2.gz ZSWDAOBAELBWCM-WDSOQIARSA-N 1 0 399.535 4.456 20 0 GIADRO CCOc1cccc2cc([C@H](C)NC(=O)N3CCCC[C@H]3[C@@H]3CCC[NH2+]C3)oc21 ZINC000571387725 823176190 /nfs/dbraw/zinc/17/61/90/823176190.db2.gz ZSWDAOBAELBWCM-UHOSZYNNSA-N 1 0 399.535 4.456 20 0 GIADRO CCN(C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H](C)c1cc2ccccc2o1 ZINC000056596785 823177508 /nfs/dbraw/zinc/17/75/08/823177508.db2.gz PNLJPLOEYLIJBR-KSZLIROESA-N 1 0 387.524 4.025 20 0 GIADRO O=C(N[C@H](c1ccccc1)c1cccc(F)c1)NC1CC[NH+](CC2CC2)CC1 ZINC000176305894 823177599 /nfs/dbraw/zinc/17/75/99/823177599.db2.gz KZHOIWMZHHQFEK-JOCHJYFZSA-N 1 0 381.495 4.089 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)N2CCCC[C@@H]2c2nccs2)[NH+]2CCCC2)o1 ZINC000176302501 823176740 /nfs/dbraw/zinc/17/67/40/823176740.db2.gz AXOJTOHHMIVNKA-IAGOWNOFSA-N 1 0 388.537 4.118 20 0 GIADRO C[C@@H](C[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1)N1CCC[C@@H](C)C1 ZINC000459377604 823176817 /nfs/dbraw/zinc/17/68/17/823176817.db2.gz PFBXUKMJYNIZHI-MOPGFXCFSA-N 1 0 381.568 4.270 20 0 GIADRO COc1ccc(C[C@@H]([NH2+]Cc2cnc(C3CC3)nc2)c2ccc(OC)cc2)cc1 ZINC000459376472 823176886 /nfs/dbraw/zinc/17/68/86/823176886.db2.gz WDNPDWBOICKFEF-HSZRJFAPSA-N 1 0 389.499 4.445 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)N[C@@H]2CCC[C@H](F)C2)CC1 ZINC000571402175 823178020 /nfs/dbraw/zinc/17/80/20/823178020.db2.gz KTHDODMNCOAYAN-LSDHHAIUSA-N 1 0 383.895 4.215 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)NCCOc2cccc(Cl)c2Cl)c1 ZINC000056621291 823183041 /nfs/dbraw/zinc/18/30/41/823183041.db2.gz FIAYQHYEILZEFA-UHFFFAOYSA-N 1 0 382.291 4.256 20 0 GIADRO C[C@H](C[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1)N1CCCC[C@@H]1C ZINC000459384223 823179285 /nfs/dbraw/zinc/17/92/85/823179285.db2.gz YVJBENAPPVHVSA-RBUKOAKNSA-N 1 0 381.568 4.413 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)N2CCC(Oc3ccccc3)CC2)c1 ZINC000056621693 823183186 /nfs/dbraw/zinc/18/31/86/823183186.db2.gz DWMWLYCBYFAZMO-UHFFFAOYSA-N 1 0 395.547 4.281 20 0 GIADRO C[C@H](c1cccc(Br)c1)[NH+]1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000121431341 823183286 /nfs/dbraw/zinc/18/32/86/823183286.db2.gz RXKDJJXWIMOHEU-JKSUJKDBSA-N 1 0 393.369 4.481 20 0 GIADRO CC1(C)CC(=O)c2cc(NC(=O)NC3CC[NH+](C4CCCCC4)CC3)ccc2O1 ZINC000571425568 823180996 /nfs/dbraw/zinc/18/09/96/823180996.db2.gz YRFVDHRMJLWLRK-UHFFFAOYSA-N 1 0 399.535 4.349 20 0 GIADRO OC[C@]1(Cc2ccc(F)cc2)CC[N@H+](Cc2ccc(Cl)c3cccnc23)C1 ZINC000571442562 823183321 /nfs/dbraw/zinc/18/33/21/823183321.db2.gz UVDZHEUJDRWTKR-QFIPXVFZSA-N 1 0 384.882 4.454 20 0 GIADRO O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)N1CCC[C@H]1c1ccccn1 ZINC000056623503 823184052 /nfs/dbraw/zinc/18/40/52/823184052.db2.gz QMXDCNCNMJSKRR-SFTDATJTSA-N 1 0 398.938 4.419 20 0 GIADRO C[NH2+]CCCN(C)C(=O)c1c2ccccc2nc2c1CCC/C2=C\c1ccco1 ZINC000571449745 823184230 /nfs/dbraw/zinc/18/42/30/823184230.db2.gz YCFSTIFFZGQALT-WUKNDPDISA-N 1 0 389.499 4.386 20 0 GIADRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)N(CCC(F)(F)F)CC1CC1 ZINC000176333316 823184625 /nfs/dbraw/zinc/18/46/25/823184625.db2.gz PSDRABDICSAYMM-SFHVURJKSA-N 1 0 383.458 4.198 20 0 GIADRO C/C(=C/c1ccccc1OC(F)F)C[NH2+]Cc1cnn(CC(F)(F)F)c1 ZINC000571452093 823184822 /nfs/dbraw/zinc/18/48/22/823184822.db2.gz NGAXQRLFMRMZFJ-SDQBBNPISA-N 1 0 375.341 4.240 20 0 GIADRO COc1ncccc1CC[NH2+][C@@H](c1ccco1)c1ccc(Br)cc1 ZINC000571454144 823185179 /nfs/dbraw/zinc/18/51/79/823185179.db2.gz VSAFBTBNRWVWDA-GOSISDBHSA-N 1 0 387.277 4.367 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCCc2ccc(S(N)(=O)=O)cc21)c1cccc2ccccc21 ZINC000571453966 823185315 /nfs/dbraw/zinc/18/53/15/823185315.db2.gz MVDHKFWOZSDYDD-IVZQSRNASA-N 1 0 380.513 4.215 20 0 GIADRO COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C[NH2+]CC[C@H](C)OC)c1 ZINC000571456052 823185532 /nfs/dbraw/zinc/18/55/32/823185532.db2.gz DQJSEDLRYINRFU-KRWDZBQOSA-N 1 0 395.503 4.071 20 0 GIADRO C[N@@H+]1CCC[C@@H](CCNC(=O)Nc2ccc(COCc3ccccc3)cc2)C1 ZINC000459405170 823185626 /nfs/dbraw/zinc/18/56/26/823185626.db2.gz DSIDPXSJTKDFRV-IBGZPJMESA-N 1 0 381.520 4.257 20 0 GIADRO Oc1ccc(CCC[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)cc1 ZINC000459406530 823185794 /nfs/dbraw/zinc/18/57/94/823185794.db2.gz GMCVYOQYDAUTFP-UHFFFAOYSA-N 1 0 376.504 4.488 20 0 GIADRO O=C(NC1CC[NH+](C2CCCC2)CC1)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000188099734 823186482 /nfs/dbraw/zinc/18/64/82/823186482.db2.gz KOJHTMKXBAPFSC-UHFFFAOYSA-N 1 0 398.444 4.399 20 0 GIADRO O[C@@]1(C[NH2+][C@H](c2ccc(Br)cc2Cl)C2CC2)CCSC1 ZINC000188106109 823187339 /nfs/dbraw/zinc/18/73/39/823187339.db2.gz SXBBAAUVBXRTFA-LSDHHAIUSA-N 1 0 376.747 4.011 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc(C)cn3)CC2)[C@H]1Sc1ccccc1 ZINC000459422082 823188974 /nfs/dbraw/zinc/18/89/74/823188974.db2.gz CTYVISPPIJRHJK-QZNHQXDQSA-N 1 0 397.588 4.287 20 0 GIADRO CCO[C@@H]1C[C@@H]([NH2+]C2CCC(c3nc(C)no3)CC2)[C@H]1Sc1ccccc1 ZINC000459420723 823188986 /nfs/dbraw/zinc/18/89/86/823188986.db2.gz IGUORDSRRVESMS-YEBLFPRISA-N 1 0 387.549 4.332 20 0 GIADRO CCOC[C@H]1CC[N@@H+]([C@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)C1 ZINC000176345229 823188180 /nfs/dbraw/zinc/18/81/80/823188180.db2.gz MDYZIHOSOXOYMF-AVRDEDQJSA-N 1 0 382.504 4.042 20 0 GIADRO C[C@H]1CN(c2ccccc2C[NH2+]Cc2cc(Cl)ccc2OC(F)F)CCO1 ZINC000459417549 823188316 /nfs/dbraw/zinc/18/83/16/823188316.db2.gz HWBMTKQHWVTGEZ-AWEZNQCLSA-N 1 0 396.865 4.456 20 0 GIADRO COc1cccc(F)c1[C@H](C)NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000176351333 823189348 /nfs/dbraw/zinc/18/93/48/823189348.db2.gz YSNVCICHIZGPKS-KRWDZBQOSA-N 1 0 399.510 4.201 20 0 GIADRO COc1ccc(COC[C@@H](O)C[NH2+][C@H](C)c2ccc3ccccc3c2)cc1OC ZINC000121500676 823195379 /nfs/dbraw/zinc/19/53/79/823195379.db2.gz WJSNSDDYWCOOEJ-VGSWGCGISA-N 1 0 395.499 4.085 20 0 GIADRO CCCN(C(=O)[C@H](CC)Cc1cccc(Br)c1)C1CC[NH2+]CC1 ZINC000571521204 823195399 /nfs/dbraw/zinc/19/53/99/823195399.db2.gz ZYRGMQNSJIWCAK-MRXNPFEDSA-N 1 0 381.358 4.008 20 0 GIADRO Cc1cccc(O[C@@H](C)CNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)c1 ZINC000176353878 823189877 /nfs/dbraw/zinc/18/98/77/823189877.db2.gz NBIJUQBROOZKIW-FQEVSTJZSA-N 1 0 395.547 4.068 20 0 GIADRO CCOc1ccc(NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c(C)c1 ZINC000571486144 823190208 /nfs/dbraw/zinc/19/02/08/823190208.db2.gz QZIWIDHXXVBUKR-LEWJYISDSA-N 1 0 393.531 4.380 20 0 GIADRO COc1cc(C[NH2+][C@@H](c2ccc(C)cc2)C2CCCCC2)ccc1OCC(N)=O ZINC000188156056 823195490 /nfs/dbraw/zinc/19/54/90/823195490.db2.gz UJXFPDDTSPYEFG-XMMPIXPASA-N 1 0 396.531 4.279 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)Nc1cccc(CC(F)(F)F)c1 ZINC000459429277 823190597 /nfs/dbraw/zinc/19/05/97/823190597.db2.gz KFJLKCNKPXYUSI-UHFFFAOYSA-N 1 0 385.455 4.449 20 0 GIADRO Cc1ccccc1O[C@@H](C)CNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000176361867 823191172 /nfs/dbraw/zinc/19/11/72/823191172.db2.gz KLFBDNVPFFKFSE-FQEVSTJZSA-N 1 0 395.547 4.068 20 0 GIADRO COc1ccc2ccccc2c1CNC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000176385304 823195662 /nfs/dbraw/zinc/19/56/62/823195662.db2.gz GDIKUEKXFGOUAZ-UHFFFAOYSA-N 1 0 397.544 4.183 20 0 GIADRO CC[C@@H](NC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1)c1ccncc1 ZINC000176366861 823192244 /nfs/dbraw/zinc/19/22/44/823192244.db2.gz VBJPHTXKOAJAMS-JOCHJYFZSA-N 1 0 380.536 4.264 20 0 GIADRO CC(C)c1nccn1Cc1cccc(NC(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000056662023 823192291 /nfs/dbraw/zinc/19/22/91/823192291.db2.gz FRQZAWOEUJVAQG-RTBURBONSA-N 1 0 397.567 4.297 20 0 GIADRO Cc1nccn1C[C@H](C)C[NH2+][C@H]1CCSc2ccc(Br)cc21 ZINC000121483289 823192669 /nfs/dbraw/zinc/19/26/69/823192669.db2.gz FUVDHSIRLYWCIA-WBMJQRKESA-N 1 0 380.355 4.417 20 0 GIADRO FC(F)(F)c1cccc([C@H]([NH2+]CCn2cc(Cl)cn2)C2CCOCC2)c1 ZINC000459444617 823193349 /nfs/dbraw/zinc/19/33/49/823193349.db2.gz CMOQOLQXDCUCDM-QGZVFWFLSA-N 1 0 387.833 4.313 20 0 GIADRO O=C(C[NH2+]C1(c2cccc(C(F)(F)F)c2)CCOCC1)Nc1ccc(F)cc1 ZINC000571507074 823193618 /nfs/dbraw/zinc/19/36/18/823193618.db2.gz HGNDCNIIECPUEZ-UHFFFAOYSA-N 1 0 396.384 4.079 20 0 GIADRO CC[NH+](CC)CCN(CC(C)C)C(=O)Nc1ccc(C)c(NC(C)=O)c1C ZINC000056690620 823193698 /nfs/dbraw/zinc/19/36/98/823193698.db2.gz LXLDSVXMEQKEDW-UHFFFAOYSA-N 1 0 376.545 4.094 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1C[NH2+]Cc1ccc(C)cc1O[C@H]1CCOC1 ZINC000459445256 823193736 /nfs/dbraw/zinc/19/37/36/823193736.db2.gz SDAFCZBYGRANTF-SFHVURJKSA-N 1 0 397.544 4.348 20 0 GIADRO CC(C)C(=O)c1ccc([C@@H](C)C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000571504803 823193760 /nfs/dbraw/zinc/19/37/60/823193760.db2.gz VMNCYOODMIRYDF-XXBNENTESA-N 1 0 392.543 4.410 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCN(C(C)=O)c3ccccc32)[C@H]1Sc1ccccc1 ZINC000459447657 823194183 /nfs/dbraw/zinc/19/41/83/823194183.db2.gz WKTUOYQNGWWEPE-JFJDKTSWSA-N 1 0 396.556 4.412 20 0 GIADRO CC(=O)Nc1ccc(Cl)c(NC(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000056692213 823194447 /nfs/dbraw/zinc/19/44/47/823194447.db2.gz XERZNMCANMWKSX-GJZGRUSLSA-N 1 0 394.947 4.178 20 0 GIADRO COc1ccc(-c2ccccc2C)cc1CNC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000459449614 823194597 /nfs/dbraw/zinc/19/45/97/823194597.db2.gz SYPMSPIREQUVPY-RPWUZVMVSA-N 1 0 394.559 4.138 20 0 GIADRO Cc1c(C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)cnn1CCC(C)C ZINC000121495964 823194744 /nfs/dbraw/zinc/19/47/44/823194744.db2.gz MYQLMLVJUKEMBX-GOSISDBHSA-N 1 0 382.552 4.193 20 0 GIADRO C(=C\c1ccc(OCc2ccccc2)cc1)\C[NH2+][C@@H]1CCO[C@]2(CCOC2)C1 ZINC000459453254 823195156 /nfs/dbraw/zinc/19/51/56/823195156.db2.gz ARCHKQXXQWVGCV-QEZXGOEYSA-N 1 0 379.500 4.207 20 0 GIADRO C(=C/c1ccc(OCc2ccccc2)cc1)\C[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000459453252 823195180 /nfs/dbraw/zinc/19/51/80/823195180.db2.gz ARCHKQXXQWVGCV-CERZFYMHSA-N 1 0 379.500 4.207 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+]CC(=O)Nc2c(C)cc(C)cc2C)[C@H]1Sc1ccccc1 ZINC000459457450 823196157 /nfs/dbraw/zinc/19/61/57/823196157.db2.gz GXGYDLJJBOSOGV-MIZPHKNDSA-N 1 0 398.572 4.478 20 0 GIADRO Cc1ccc(Oc2ccc(NC(=O)N3CCC([C@@H]4OCC[C@H]4[NH3+])CC3)cc2)cc1 ZINC000571532353 823196873 /nfs/dbraw/zinc/19/68/73/823196873.db2.gz ZSHJIOQROSCTHD-YADHBBJMSA-N 1 0 395.503 4.147 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ncc(-c3ccc(OC)cc3)o2)C1)CC(F)(F)F ZINC000176392962 823197536 /nfs/dbraw/zinc/19/75/36/823197536.db2.gz AXHRMRDTROYLTD-HNNXBMFYSA-N 1 0 397.441 4.056 20 0 GIADRO COc1c(F)cc(NC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)cc1F ZINC000056716351 823198355 /nfs/dbraw/zinc/19/83/55/823198355.db2.gz OOVCYJMTUYNDPA-UHFFFAOYSA-N 1 0 381.467 4.093 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ncc(-c3ccccc3F)o2)C1)CC(F)(F)F ZINC000176405631 823201471 /nfs/dbraw/zinc/20/14/71/823201471.db2.gz CZXJOMLGBMJGEQ-AWEZNQCLSA-N 1 0 385.405 4.187 20 0 GIADRO O=C(c1ccncc1)N1CCC([NH2+][C@H]2CCC[C@@H]2CCc2ccccc2)CC1 ZINC000459468923 823198829 /nfs/dbraw/zinc/19/88/29/823198829.db2.gz SGULYQJGIBOHQG-OFNKIYASSA-N 1 0 377.532 4.077 20 0 GIADRO COc1ccc([C@H](NC(=O)C[NH2+][C@@H](C)c2ccc(OC)c(F)c2)C(C)C)cc1 ZINC000121520481 823199029 /nfs/dbraw/zinc/19/90/29/823199029.db2.gz WYMGEWNGFXQZHX-OYHNWAKOSA-N 1 0 388.483 4.007 20 0 GIADRO CC(C)N1CC[C@@H]([NH2+]C2CCN(C3CC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000459471459 823199069 /nfs/dbraw/zinc/19/90/69/823199069.db2.gz TZLSLNKGXBACDU-RTWAWAEBSA-N 1 0 379.951 4.219 20 0 GIADRO C[C@H](O)C[C@H](C[NH2+]C1CCN(Cc2ccccc2Cl)CC1)c1ccccc1 ZINC000121523388 823199658 /nfs/dbraw/zinc/19/96/58/823199658.db2.gz ZRNWDQMLPNQGLQ-GHTZIAJQSA-N 1 0 386.967 4.449 20 0 GIADRO COCc1cc(O)ccc1NC(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000459476477 823200364 /nfs/dbraw/zinc/20/03/64/823200364.db2.gz ZSHAWMPDIOSNCV-UHFFFAOYSA-N 1 0 397.519 4.457 20 0 GIADRO C[C@@H](NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)[C@H](C)c1ccccc1 ZINC000176406183 823201411 /nfs/dbraw/zinc/20/14/11/823201411.db2.gz CITHJOSFZWPRIE-VQTJNVASSA-N 1 0 379.548 4.485 20 0 GIADRO O[C@H](CCc1ccccc1)C[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459478632 823200854 /nfs/dbraw/zinc/20/08/54/823200854.db2.gz JLPRGDJTAUAJTL-JOCHJYFZSA-N 1 0 390.531 4.144 20 0 GIADRO C[C@@H]1CN(c2ccccc2C[N@H+](C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)CCO1 ZINC000459482243 823201755 /nfs/dbraw/zinc/20/17/55/823201755.db2.gz LNULBVHDTJUIGZ-OUOWLKGYSA-N 1 0 398.522 4.403 20 0 GIADRO Cc1nc(-c2cccc(NC(=O)NC[C@@H](c3cccs3)[NH+](C)C)c2)oc1C ZINC000056730559 823201861 /nfs/dbraw/zinc/20/18/61/823201861.db2.gz JEMWNACTMRPTPT-KRWDZBQOSA-N 1 0 384.505 4.444 20 0 GIADRO COc1ccc(-c2ccccc2C)cc1C[NH2+][C@H]1CCO[C@H](c2cncn2C)C1 ZINC000459489066 823202817 /nfs/dbraw/zinc/20/28/17/823202817.db2.gz PWAFEZVDWKELLH-RDPSFJRHSA-N 1 0 391.515 4.414 20 0 GIADRO C[NH+]1CCC(N(c2cccc(F)c2)S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000571575999 823203093 /nfs/dbraw/zinc/20/30/93/823203093.db2.gz QRAOWGUWIAOKHM-UHFFFAOYSA-N 1 0 398.503 4.268 20 0 GIADRO Fc1cccc(CC2([NH2+]Cc3ccc(OC[C@@H]4CCCO4)cc3)CCOCC2)c1 ZINC000571584767 823203907 /nfs/dbraw/zinc/20/39/07/823203907.db2.gz LJOCZKFFHPPAJK-QHCPKHFHSA-N 1 0 399.506 4.265 20 0 GIADRO COc1sc(CN[C@@H](C[NH+](C)C)c2ccc(F)cc2)cc1Br ZINC000574407647 823721786 /nfs/dbraw/zinc/72/17/86/823721786.db2.gz VGZXCKFUADKSGD-HNNXBMFYSA-N 1 0 387.318 4.051 20 0 GIADRO Cc1nc(-c2cccc(NC(=O)NCC[N@@H+](C)Cc3ccccc3)c2)oc1C ZINC000056739604 823204124 /nfs/dbraw/zinc/20/41/24/823204124.db2.gz HYSLGENBYCILTI-UHFFFAOYSA-N 1 0 378.476 4.212 20 0 GIADRO Cc1nc(-c2cccc(NC(=O)N[C@@H](Cc3ccccc3)C[NH+](C)C)c2)oc1C ZINC000056739448 823204150 /nfs/dbraw/zinc/20/41/50/823204150.db2.gz IZSPXPPTIOJGIM-NRFANRHFSA-N 1 0 392.503 4.253 20 0 GIADRO Clc1ccc(OC[C@H]2CCOC2)c(NC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000459496089 823204182 /nfs/dbraw/zinc/20/41/82/823204182.db2.gz GLKPAMZTKDYJJS-INIZCTEOSA-N 1 0 387.911 4.231 20 0 GIADRO C[C@@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1)c1cccc(CO)c1 ZINC000121553060 823204606 /nfs/dbraw/zinc/20/46/06/823204606.db2.gz GRQJOQSKFBZPTD-GOSISDBHSA-N 1 0 384.483 4.277 20 0 GIADRO C[C@@H](Oc1ccc(C(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)cn1)c1ccccc1 ZINC000571590432 823204673 /nfs/dbraw/zinc/20/46/73/823204673.db2.gz WZDSXFPHMSNZSB-RBUKOAKNSA-N 1 0 393.531 4.168 20 0 GIADRO CN1CCC2(CC[NH+](C/C=C\c3ccc(OCc4ccccc4)cc3)CC2)C1=O ZINC000459500160 823205131 /nfs/dbraw/zinc/20/51/31/823205131.db2.gz AANJLYYWKQTUCZ-YVMONPNESA-N 1 0 390.527 4.223 20 0 GIADRO C[C@H]1C[C@@H](NC(=O)C2(c3cccnc3)CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000571598405 823205384 /nfs/dbraw/zinc/20/53/84/823205384.db2.gz VEKDMZWCJAZWBB-UGKGYDQZSA-N 1 0 377.532 4.063 20 0 GIADRO COC[C@H](C)Oc1ccc(Cl)cc1NC1CCN(c2cc[nH+]cc2)CC1 ZINC000459500467 823205464 /nfs/dbraw/zinc/20/54/64/823205464.db2.gz YFRDPUVEVXALQZ-HNNXBMFYSA-N 1 0 375.900 4.230 20 0 GIADRO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)cc1 ZINC000571597746 823205475 /nfs/dbraw/zinc/20/54/75/823205475.db2.gz JRROEEIXXURZGS-HRAATJIYSA-N 1 0 382.529 4.306 20 0 GIADRO CC1CC[NH+]([C@@H](CNC(=O)N2CCC[C@@H]2c2ccccn2)c2ccccc2)CC1 ZINC000056745917 823205543 /nfs/dbraw/zinc/20/55/43/823205543.db2.gz LFENARBFGGZWHJ-PKTZIBPZSA-N 1 0 392.547 4.401 20 0 GIADRO CCCN(CC[NH+]1CCCCCC1)C(=O)CCc1ncc(-c2ccccc2)o1 ZINC000571599666 823205778 /nfs/dbraw/zinc/20/57/78/823205778.db2.gz NKBSTRYDPBGURD-UHFFFAOYSA-N 1 0 383.536 4.389 20 0 GIADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H](C)c2ccc3cc(OC)ccc3c2)c1 ZINC000121567232 823207242 /nfs/dbraw/zinc/20/72/42/823207242.db2.gz LEXWUAMGPAZKTC-CVEARBPZSA-N 1 0 398.528 4.168 20 0 GIADRO Cc1ccccc1C[C@@H](CO)[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459509623 823207326 /nfs/dbraw/zinc/20/73/26/823207326.db2.gz NMYFMOPQMJPANA-NRFANRHFSA-N 1 0 390.531 4.062 20 0 GIADRO COc1ccc(F)c(C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1OC ZINC000188237738 823207729 /nfs/dbraw/zinc/20/77/29/823207729.db2.gz PPZKKSJFHSTTLM-OAHLLOKOSA-N 1 0 386.467 4.327 20 0 GIADRO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC3(CC2)OCCc2ccccc23)c(C)c1 ZINC000459510190 823207823 /nfs/dbraw/zinc/20/78/23/823207823.db2.gz CJEXXCJLSOYNRK-IBGZPJMESA-N 1 0 378.516 4.194 20 0 GIADRO Cc1ccccc1C[C@H](CO)[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459509624 823207833 /nfs/dbraw/zinc/20/78/33/823207833.db2.gz NMYFMOPQMJPANA-OAQYLSRUSA-N 1 0 390.531 4.062 20 0 GIADRO CCN(Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000188238314 823207994 /nfs/dbraw/zinc/20/79/94/823207994.db2.gz CRMXESNRQMEHBE-FGZHOGPDSA-N 1 0 376.504 4.145 20 0 GIADRO CCc1c(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)cnn1C(C)(C)C ZINC000571609518 823208157 /nfs/dbraw/zinc/20/81/57/823208157.db2.gz SJYSFOFPZXOPMD-FQEVSTJZSA-N 1 0 396.579 4.233 20 0 GIADRO O=C(CCC[NH2+]Cc1cc(F)ccc1Br)N1Cc2ccccc2C1 ZINC000121572594 823208551 /nfs/dbraw/zinc/20/85/51/823208551.db2.gz XZHILVOGUIXURW-UHFFFAOYSA-N 1 0 391.284 4.000 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)N(C)[C@H](C)Cc3cccc(F)c3)c2)CC1 ZINC000459520688 823210034 /nfs/dbraw/zinc/21/00/34/823210034.db2.gz YZHVHTYCWDQIKI-GOSISDBHSA-N 1 0 398.526 4.063 20 0 GIADRO Cc1cccc(Oc2ccc(NC(=O)[C@@H]([NH2+]C3CCOCC3)C(C)C)cn2)c1C ZINC000176451604 823210262 /nfs/dbraw/zinc/21/02/62/823210262.db2.gz AWAKRMXPKPLFNK-QFIPXVFZSA-N 1 0 397.519 4.222 20 0 GIADRO CCOc1ccccc1Oc1ccccc1C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000176453261 823210866 /nfs/dbraw/zinc/21/08/66/823210866.db2.gz NMIFBCMVQSNVRG-LJQANCHMSA-N 1 0 394.515 4.436 20 0 GIADRO Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000571624455 823211037 /nfs/dbraw/zinc/21/10/37/823211037.db2.gz SJFCQNFFCCNJIR-CQSZACIVSA-N 1 0 388.537 4.282 20 0 GIADRO Cc1noc(CC[NH2+][C@H](C)c2ccc(Br)cc2C(F)(F)F)n1 ZINC000188267437 823211412 /nfs/dbraw/zinc/21/14/12/823211412.db2.gz GYMLMNIMMCEILP-MRVPVSSYSA-N 1 0 378.192 4.053 20 0 GIADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)Nc1cccc(-c2nccs2)c1 ZINC000056776397 823211491 /nfs/dbraw/zinc/21/14/91/823211491.db2.gz GAOQKHSGWIYTBV-LJQANCHMSA-N 1 0 380.517 4.105 20 0 GIADRO C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)c1ccc(NC(=O)Nc3ccccc3)s1)C2 ZINC000176464948 823213323 /nfs/dbraw/zinc/21/33/23/823213323.db2.gz WZUQLAUHAGXLJS-ALOPSCKCSA-N 1 0 398.532 4.137 20 0 GIADRO FC(F)(F)c1cccc([C@H]([NH2+]C2CCN(C3CC3)CC2)C2CCOCC2)c1 ZINC000459534282 823213915 /nfs/dbraw/zinc/21/39/15/823213915.db2.gz YZDDFHDXOQOXSP-HXUWFJFHSA-N 1 0 382.470 4.390 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC(=O)N(Cc3ccccc3)C1)CCCS2 ZINC000188281151 823213969 /nfs/dbraw/zinc/21/39/69/823213969.db2.gz PJAYGCSBWYARHL-WIYYLYMNSA-N 1 0 396.556 4.261 20 0 GIADRO CCC[C@@H]([NH2+][C@H](C)c1cccc(CO)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000121602478 823214318 /nfs/dbraw/zinc/21/43/18/823214318.db2.gz YVUQOQDMJUFWTJ-WZONZLPQSA-N 1 0 395.547 4.237 20 0 GIADRO CC(C)CC[NH+]1CCC(CNC(=O)Nc2ccc(-c3nncs3)cc2)CC1 ZINC000459536038 823214468 /nfs/dbraw/zinc/21/44/68/823214468.db2.gz PUPNOFDDCWAQIS-UHFFFAOYSA-N 1 0 387.553 4.085 20 0 GIADRO Cc1sc(CNC(=O)NCCC[NH+]2CCCC2)nc1-c1ccc(Cl)cc1 ZINC000056790748 823214616 /nfs/dbraw/zinc/21/46/16/823214616.db2.gz IRWHUZHUSYCRIX-UHFFFAOYSA-N 1 0 392.956 4.057 20 0 GIADRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1oc(CC(C)C)nc1C ZINC000188290335 823214967 /nfs/dbraw/zinc/21/49/67/823214967.db2.gz RFIQPXLCIMHYJN-UHFFFAOYSA-N 1 0 397.523 4.125 20 0 GIADRO O=C(Nc1ccc(-c2nncs2)cc1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000459537965 823214976 /nfs/dbraw/zinc/21/49/76/823214976.db2.gz CYLNYZSLQKZMAM-IBGZPJMESA-N 1 0 393.516 4.164 20 0 GIADRO C[NH+](C)CCC1CCN(C(=O)N[C@@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000056799553 823215565 /nfs/dbraw/zinc/21/55/65/823215565.db2.gz UVBUYIVDPBGUCB-QHCPKHFHSA-N 1 0 379.548 4.344 20 0 GIADRO CCOc1cc(C[NH2+][C@@H]2CCCC[C@H]2OC(F)F)cc(Br)c1O ZINC000459539503 823215734 /nfs/dbraw/zinc/21/57/34/823215734.db2.gz KDSWTENRCLJHKU-CHWSQXEVSA-N 1 0 394.256 4.193 20 0 GIADRO CSc1ccc(CNC(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC000571663268 823215783 /nfs/dbraw/zinc/21/57/83/823215783.db2.gz LUJAKDQBAHSWKP-QHCPKHFHSA-N 1 0 395.572 4.216 20 0 GIADRO CC(C)Oc1c(Cl)cccc1NC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000121612873 823215837 /nfs/dbraw/zinc/21/58/37/823215837.db2.gz SUGKDBLNUVVUEJ-UHFFFAOYSA-N 1 0 380.916 4.101 20 0 GIADRO CC(C)[C@@H]([NH2+]C/C=C\c1ccc(OCc2ccccc2)cc1)c1nncn1C ZINC000459543781 823216590 /nfs/dbraw/zinc/21/65/90/823216590.db2.gz MLRXTTSONOPNSN-AMZHIVGSSA-N 1 0 376.504 4.394 20 0 GIADRO CCOCC[C@H](O)C[NH2+][C@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC000571671139 823217050 /nfs/dbraw/zinc/21/70/50/823217050.db2.gz SYDZRTIVCOGJEZ-OALUTQOASA-N 1 0 396.300 4.055 20 0 GIADRO COCc1cc(C[N@H+](Cc2ccc(OC)c(OC)c2)[C@@H]2CCCC[C@@H]2C)no1 ZINC000459549601 823217727 /nfs/dbraw/zinc/21/77/27/823217727.db2.gz FCEWLNUWFSTSJH-OXJNMPFZSA-N 1 0 388.508 4.419 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2ccc(-c3nncs3)cc2)C1 ZINC000459548959 823217743 /nfs/dbraw/zinc/21/77/43/823217743.db2.gz ZOCINOQXCVWGIH-BEFAXECRSA-N 1 0 393.516 4.162 20 0 GIADRO Cc1ccc(NC(=O)C2CCN(c3cc(C)[nH+]c4ccc(F)cc43)CC2)nc1 ZINC000121635091 823219909 /nfs/dbraw/zinc/21/99/09/823219909.db2.gz FIDLKVPQOURNSJ-UHFFFAOYSA-N 1 0 378.451 4.241 20 0 GIADRO NC(=O)C1CC[NH+](Cc2cccc(N[C@@H]3CC[C@H](Cc4ccccc4)C3)c2)CC1 ZINC000188331552 823220458 /nfs/dbraw/zinc/22/04/58/823220458.db2.gz AIGVLYDJTZAUFZ-HYBUGGRVSA-N 1 0 391.559 4.207 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc(OCC2CC2)c(F)c1)c1cccc(-n2cnnn2)c1 ZINC000121638608 823220466 /nfs/dbraw/zinc/22/04/66/823220466.db2.gz AATGAFIEMFVNRY-GJZGRUSLSA-N 1 0 381.455 4.002 20 0 GIADRO CCO[C@@H]1C[C@H](Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)[C@H]1Sc1ccccc1 ZINC000459561248 823220579 /nfs/dbraw/zinc/22/05/79/823220579.db2.gz RHPDMYHWCKFLRD-KZKAQZJJSA-N 1 0 398.572 4.003 20 0 GIADRO CC(C)c1cc(C(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)nn1C(C)(C)C ZINC000409450982 823221326 /nfs/dbraw/zinc/22/13/26/823221326.db2.gz CQUUEACVCQNJJU-IEBWSBKVSA-N 1 0 382.552 4.327 20 0 GIADRO O=C1CCCN1[C@@H]1CCC[C@H]([NH2+]Cc2cccc(OCc3ccccc3)c2)C1 ZINC000571703226 823221643 /nfs/dbraw/zinc/22/16/43/823221643.db2.gz ZNJVMZJYPOWNON-FCHUYYIVSA-N 1 0 378.516 4.289 20 0 GIADRO COCCOc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(NC(C)=O)c2)cc1OC ZINC000121652141 823223224 /nfs/dbraw/zinc/22/32/24/823223224.db2.gz IJXMCGWITOVUHU-HOTGVXAUSA-N 1 0 386.492 4.091 20 0 GIADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459567836 823221917 /nfs/dbraw/zinc/22/19/17/823221917.db2.gz WLVLSJLOZIELQY-PGRDOPGGSA-N 1 0 379.552 4.119 20 0 GIADRO COC(=O)c1cccc(C[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)c1 ZINC000459567855 823221940 /nfs/dbraw/zinc/22/19/40/823221940.db2.gz WPDTZBOPVRDVFP-UHFFFAOYSA-N 1 0 390.487 4.137 20 0 GIADRO COc1cccc(OC)c1OC[C@H](O)C[N@@H+]1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000459573519 823223262 /nfs/dbraw/zinc/22/32/62/823223262.db2.gz RBEAPWITXLVCQA-XXBNENTESA-N 1 0 397.515 4.061 20 0 GIADRO Cc1cccnc1CCC[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459569645 823222566 /nfs/dbraw/zinc/22/25/66/823222566.db2.gz DCXIKYLOXVXZAX-UHFFFAOYSA-N 1 0 375.520 4.486 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)NC(=O)NC(C)(C)CC[NH+]2CCCCCC2)c1 ZINC000188319233 823218781 /nfs/dbraw/zinc/21/87/81/823218781.db2.gz YHTSPWFKEKOXRH-QGZVFWFLSA-N 1 0 388.556 4.050 20 0 GIADRO CCCN(C(=O)c1ccnc2ccncc21)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000188348509 823223463 /nfs/dbraw/zinc/22/34/63/823223463.db2.gz MXXBRHOSCKVJEC-FQEVSTJZSA-N 1 0 388.515 4.147 20 0 GIADRO CC(=O)Nc1ccc(CN2CCC([NH2+]CCc3ccc(Cl)cc3)CC2)cc1 ZINC000459573901 823223542 /nfs/dbraw/zinc/22/35/42/823223542.db2.gz IXHKEUJAVKIIQN-UHFFFAOYSA-N 1 0 385.939 4.095 20 0 GIADRO C[NH+](C)CCOc1cccc(CNC(=O)c2sc3ccccc3c2Cl)c1 ZINC000056890550 823228438 /nfs/dbraw/zinc/22/84/38/823228438.db2.gz VKMDNJSLLIVZCT-UHFFFAOYSA-N 1 0 388.920 4.425 20 0 GIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cnn(-c3cccc(Cl)c3)c2)C1 ZINC000409460547 823224286 /nfs/dbraw/zinc/22/42/86/823224286.db2.gz UATWGIDGTGOSMK-OXJNMPFZSA-N 1 0 394.906 4.091 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cnn(-c3cccc(Cl)c3)c2)C1 ZINC000409460549 823224441 /nfs/dbraw/zinc/22/44/41/823224441.db2.gz UATWGIDGTGOSMK-UZLBHIALSA-N 1 0 394.906 4.091 20 0 GIADRO C[C@H](NC(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccccc1C(F)(F)F ZINC000056853747 823224386 /nfs/dbraw/zinc/22/43/86/823224386.db2.gz KVMTWLDVIFKOFX-HNNXBMFYSA-N 1 0 383.458 4.284 20 0 GIADRO CCOc1cc(C[NH2+]C[C@H]2CCO[C@H](C(C)C)C2)cc(Br)c1O ZINC000459580306 823224483 /nfs/dbraw/zinc/22/44/83/823224483.db2.gz PBCLRHSPQXOFNN-BBRMVZONSA-N 1 0 386.330 4.094 20 0 GIADRO CCOc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc(Br)c1O ZINC000459585661 823225286 /nfs/dbraw/zinc/22/52/86/823225286.db2.gz VDMXHMVHVIRPHL-UAGQMJEPSA-N 1 0 398.341 4.069 20 0 GIADRO C[NH+](C)CCC1CCN(C(=O)N[C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000056886024 823227688 /nfs/dbraw/zinc/22/76/88/823227688.db2.gz YLANEZNLRPHYHG-JOCHJYFZSA-N 1 0 383.511 4.288 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc(OCC2CC2)c(F)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000121673575 823227795 /nfs/dbraw/zinc/22/77/95/823227795.db2.gz ZNGCYNGPQCGWKE-HUUCEWRRSA-N 1 0 391.508 4.430 20 0 GIADRO O=C(Nc1cccc(C[NH2+]Cc2ccc(-c3ccccc3)o2)c1)[C@H]1CCCO1 ZINC000121678881 823229059 /nfs/dbraw/zinc/22/90/59/823229059.db2.gz IFAIFUBQCJIQIS-JOCHJYFZSA-N 1 0 376.456 4.354 20 0 GIADRO C[C@@H]1CCCC[C@]1(C)[NH2+]CC(=O)Nc1c(F)cc(F)cc1Br ZINC000459609306 823229168 /nfs/dbraw/zinc/22/91/68/823229168.db2.gz JIIOBRVZSSUGEM-HWPZZCPQSA-N 1 0 375.257 4.224 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)c2cnn(Cc3ccccc3)c2C)cc1 ZINC000188377280 823229539 /nfs/dbraw/zinc/22/95/39/823229539.db2.gz GFYYSBIAHGVVHG-UHFFFAOYSA-N 1 0 376.504 4.334 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N[C@@H](c3cccs3)C(C)(C)CO)ccc21 ZINC000459611440 823229527 /nfs/dbraw/zinc/22/95/27/823229527.db2.gz DAFXOMYHJQXUGS-MJGOQNOKSA-N 1 0 387.549 4.178 20 0 GIADRO O=C(NC1CC[NH+](CC2CC2)CC1)C(Cc1ccccc1)Cc1ccccc1 ZINC000409476444 823229525 /nfs/dbraw/zinc/22/95/25/823229525.db2.gz SCGDWZNXYBGDEZ-UHFFFAOYSA-N 1 0 376.544 4.079 20 0 GIADRO C[C@H]([NH2+]C1(CNC(=O)c2cccnc2C(F)(F)F)CCCC1)c1ccccc1 ZINC000188380435 823230191 /nfs/dbraw/zinc/23/01/91/823230191.db2.gz FLSLLJRTIJYUFL-HNNXBMFYSA-N 1 0 391.437 4.494 20 0 GIADRO Cc1ccc([C@H](OC[C@@H](O)C[NH2+][C@@H](C)c2cncc(F)c2)c2ccccc2)cc1 ZINC000459620219 823230847 /nfs/dbraw/zinc/23/08/47/823230847.db2.gz HQJUBUULPXXLCU-GKVQRAMASA-N 1 0 394.490 4.347 20 0 GIADRO C[C@H](NC(=O)c1oc2ccccc2c1C[NH+](C)C)c1ccccc1-n1cccn1 ZINC000121688197 823230900 /nfs/dbraw/zinc/23/09/00/823230900.db2.gz OYXOWYWZELHWCA-INIZCTEOSA-N 1 0 388.471 4.171 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+]C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000121690376 823231175 /nfs/dbraw/zinc/23/11/75/823231175.db2.gz BMVFXMPROYHPJV-HNNXBMFYSA-N 1 0 399.922 4.254 20 0 GIADRO COc1cccc(OC)c1OCCCC[NH2+][C@H](C)c1nc2c(s1)CCC2 ZINC000459631251 823233098 /nfs/dbraw/zinc/23/30/98/823233098.db2.gz KAXBUYBMOCTZAK-CQSZACIVSA-N 1 0 376.522 4.159 20 0 GIADRO FC(F)(F)[C@@H]1CC[N@H+](CCOc2cccc(Cl)c2)CC12CCOCC2 ZINC000459630516 823233110 /nfs/dbraw/zinc/23/31/10/823233110.db2.gz ANZFFMGAQROBCF-MRXNPFEDSA-N 1 0 377.834 4.400 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)N(C)Cc1cccs1)[NH+]1CCCCC1 ZINC000056932698 823232268 /nfs/dbraw/zinc/23/22/68/823232268.db2.gz ATTKRLOBUPXLTR-LJQANCHMSA-N 1 0 387.549 4.125 20 0 GIADRO C[NH+](C)CCOc1cccc(CNC(=O)C(c2ccccc2)c2ccccc2)c1 ZINC000056890912 823228642 /nfs/dbraw/zinc/22/86/42/823228642.db2.gz MDHDHQSHORJOAC-UHFFFAOYSA-N 1 0 388.511 4.075 20 0 GIADRO COC(=O)c1ccc(-c2nc(C[NH2+][C@@H](C)CCCc3cccnc3)co2)cc1 ZINC000459632847 823233365 /nfs/dbraw/zinc/23/33/65/823233365.db2.gz GAIVAFQRJJXEIU-INIZCTEOSA-N 1 0 379.460 4.024 20 0 GIADRO CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc1cccs1)c1cc(F)ccc1F ZINC000176543345 823233661 /nfs/dbraw/zinc/23/36/61/823233661.db2.gz PNJIKVLTDOXLTN-GOSISDBHSA-N 1 0 381.492 4.251 20 0 GIADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000056946755 823233924 /nfs/dbraw/zinc/23/39/24/823233924.db2.gz BGHAUFIKPARQON-HCXYKTFWSA-N 1 0 398.551 4.083 20 0 GIADRO FC(F)(F)[C@@H]1CC[N@H+](Cc2ccc(-n3cccn3)cc2)CC12CCOCC2 ZINC000459646244 823237438 /nfs/dbraw/zinc/23/74/38/823237438.db2.gz RVEBCBRGWPOKQR-GOSISDBHSA-N 1 0 379.426 4.053 20 0 GIADRO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[NH2+][C@H](C)CCCc1cccnc1 ZINC000459635716 823234489 /nfs/dbraw/zinc/23/44/89/823234489.db2.gz GPPRPQYDTTZQNG-HZPDHXFCSA-N 1 0 389.927 4.380 20 0 GIADRO C[C@H](Cc1ccc(Br)cc1)[NH2+]Cc1ccc(N2CCOC2=O)cc1 ZINC000188403178 823234964 /nfs/dbraw/zinc/23/49/64/823234964.db2.gz CGIBDCDGXZQNDY-CQSZACIVSA-N 1 0 389.293 4.127 20 0 GIADRO C[C@H](CCCc1cccnc1)[NH2+][C@H](C)C(=O)N[C@H](C)c1cc2ccccc2o1 ZINC000459638902 823235291 /nfs/dbraw/zinc/23/52/91/823235291.db2.gz JXTOFFPUJGLCOI-KZNAEPCWSA-N 1 0 379.504 4.395 20 0 GIADRO [NH3+]C1CCC(OCC(=O)Nc2cccc(Oc3ccnc4ccccc43)c2)CC1 ZINC000571796387 823235553 /nfs/dbraw/zinc/23/55/53/823235553.db2.gz IKNZNCPMGMPYHL-UHFFFAOYSA-N 1 0 391.471 4.252 20 0 GIADRO Cc1cc(NC(=O)c2c(F)cc(F)cc2F)ccc1OCC[NH+]1CCCC1 ZINC000121713668 823235855 /nfs/dbraw/zinc/23/58/55/823235855.db2.gz QAKZQKVOGHTCHN-UHFFFAOYSA-N 1 0 378.394 4.139 20 0 GIADRO C[C@H](CCCc1cccnc1)[NH2+]Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000459646452 823237831 /nfs/dbraw/zinc/23/78/31/823237831.db2.gz IGMUZRKICSPGRE-CQSZACIVSA-N 1 0 376.426 4.488 20 0 GIADRO CCOc1ccc(NC(=O)N(CC[NH+](C)C)CC(C)C)c(C(F)(F)F)c1 ZINC000176557106 823236682 /nfs/dbraw/zinc/23/66/82/823236682.db2.gz WENJJEYIFNWTBQ-UHFFFAOYSA-N 1 0 375.435 4.156 20 0 GIADRO Cc1ccc(NC(=O)C[NH2+][C@H](C)CCCc2cccnc2)c(Br)c1 ZINC000459647923 823238034 /nfs/dbraw/zinc/23/80/34/823238034.db2.gz UMXVCSSXMNBUKQ-OAHLLOKOSA-N 1 0 390.325 4.092 20 0 GIADRO CC[NH+](CC)[C@@H](C(=O)NCC(C)(C)C[C@@H](C)O)c1cccc(C(F)(F)F)c1 ZINC000121726936 823238094 /nfs/dbraw/zinc/23/80/94/823238094.db2.gz OZSOATDAVPZQDB-RHSMWYFYSA-N 1 0 388.474 4.002 20 0 GIADRO COC1CCC(CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)CC1 ZINC000121728448 823238297 /nfs/dbraw/zinc/23/82/97/823238297.db2.gz VEQJPIRNZCGSCN-UHFFFAOYSA-N 1 0 376.566 4.078 20 0 GIADRO C[C@@H](CCCc1cccnc1)[NH2+][C@@H](C)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000459648080 823238401 /nfs/dbraw/zinc/23/84/01/823238401.db2.gz UVYQPFANTGKIJZ-HOTGVXAUSA-N 1 0 391.918 4.222 20 0 GIADRO Cc1ccc(C(=O)CCC(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)s1 ZINC000571815660 823238717 /nfs/dbraw/zinc/23/87/17/823238717.db2.gz OPULIUCIWIJEPK-HXUWFJFHSA-N 1 0 398.572 4.438 20 0 GIADRO C[C@H](CCCc1cccnc1)[NH2+]CC(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000459650386 823238869 /nfs/dbraw/zinc/23/88/69/823238869.db2.gz XTNFVYAZILMRPU-MOPGFXCFSA-N 1 0 375.516 4.413 20 0 GIADRO FC(F)(F)[C@H]1CC[N@H+](Cc2cnn(-c3ccccc3)c2)CC12CCOCC2 ZINC000459651165 823239116 /nfs/dbraw/zinc/23/91/16/823239116.db2.gz YXFHDOOVDPDPRO-SFHVURJKSA-N 1 0 379.426 4.053 20 0 GIADRO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@@H](C)CCCc1cccnc1 ZINC000459652387 823239865 /nfs/dbraw/zinc/23/98/65/823239865.db2.gz QMEANNSALAUMFY-ZWKOTPCHSA-N 1 0 387.955 4.473 20 0 GIADRO Cc1nn(-c2ccccn2)c(C)c1C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000571823498 823239941 /nfs/dbraw/zinc/23/99/41/823239941.db2.gz ILOLNLOEIUTXHI-UHFFFAOYSA-N 1 0 386.503 4.140 20 0 GIADRO Cc1ccccc1C1(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CCC1 ZINC000409529427 823242591 /nfs/dbraw/zinc/24/25/91/823242591.db2.gz OSFLFQAUUAWDNF-JOCHJYFZSA-N 1 0 376.544 4.098 20 0 GIADRO COc1ccc2c(c1)CCC[C@H]2CC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000057030366 823240943 /nfs/dbraw/zinc/24/09/43/823240943.db2.gz SNULBOBBJSPAOI-GHTZIAJQSA-N 1 0 382.504 4.052 20 0 GIADRO Fc1ccc(C2=CC[C@H]([NH2+][C@H]3CCCc4c3cnn4-c3ncccn3)CC2)cc1 ZINC000571831280 823241061 /nfs/dbraw/zinc/24/10/61/823241061.db2.gz ATSLOTRRCHVCML-FPOVZHCZSA-N 1 0 389.478 4.405 20 0 GIADRO C[C@H]1C[C@@H](NC(=O)CSc2nc3ccccc3o2)CC[N@@H+]1Cc1ccccc1 ZINC000176581443 823241513 /nfs/dbraw/zinc/24/15/13/823241513.db2.gz HHOCPSQYHAGTJO-WMZOPIPTSA-N 1 0 395.528 4.089 20 0 GIADRO COc1ccc(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cc1SC ZINC000459657150 823241873 /nfs/dbraw/zinc/24/18/73/823241873.db2.gz FGJPNGOVWXNHIV-CRAIPNDOSA-N 1 0 385.533 4.059 20 0 GIADRO O=C(Nc1cc(C(F)(F)F)ccc1Cl)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000409528348 823242272 /nfs/dbraw/zinc/24/22/72/823242272.db2.gz HBHUILAWXFXOAW-ZDUSSCGKSA-N 1 0 375.822 4.451 20 0 GIADRO COc1cc2nc(C[N@H+](C)[C@H]3CCC[C@@H]3c3ccccc3)[nH]c(=O)c2cc1OC ZINC000459671485 823247397 /nfs/dbraw/zinc/24/73/97/823247397.db2.gz GTBQDSPTXNPRAB-APWZRJJASA-N 1 0 393.487 4.121 20 0 GIADRO COc1ccc(-c2noc(C[N@@H+]3CCCCC[C@@H]3C[C@H](O)c3ccco3)n2)cc1 ZINC000121758919 823244799 /nfs/dbraw/zinc/24/47/99/823244799.db2.gz HLKIXLXFLLWYHJ-MJGOQNOKSA-N 1 0 397.475 4.207 20 0 GIADRO COc1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cc1SC ZINC000459664269 823244861 /nfs/dbraw/zinc/24/48/61/823244861.db2.gz FSKBQJATNVCFIT-MAUKXSAKSA-N 1 0 385.533 4.202 20 0 GIADRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2c(F)cccc2Br)c1 ZINC000176599080 823244908 /nfs/dbraw/zinc/24/49/08/823244908.db2.gz ONQNYWLFQJULOU-UHFFFAOYSA-N 1 0 393.300 4.358 20 0 GIADRO COc1ccc(C2(C[NH2+]CCc3ccc(F)cc3Cl)CCOCC2)cc1 ZINC000571846559 823245011 /nfs/dbraw/zinc/24/50/11/823245011.db2.gz CBZPGULLDPXYBP-UHFFFAOYSA-N 1 0 377.887 4.368 20 0 GIADRO CCN(C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@@H](C)c1cccnc1 ZINC000571848960 823245277 /nfs/dbraw/zinc/24/52/77/823245277.db2.gz XRGFZLGXPPCQKW-RBBKRZOGSA-N 1 0 394.563 4.476 20 0 GIADRO C[C@H](CCCOc1ccccc1C(N)=O)[NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000459665197 823245302 /nfs/dbraw/zinc/24/53/02/823245302.db2.gz JUUOMYRLAQHMEP-DDUZABMNSA-N 1 0 390.886 4.271 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc2cnn(C)c2c1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000571850285 823245570 /nfs/dbraw/zinc/24/55/70/823245570.db2.gz VBUIJSYBNCODNK-MRXNPFEDSA-N 1 0 397.544 4.140 20 0 GIADRO Cc1cccc2[nH]c(CCC(=O)NC3CC[NH+]([C@H](C)c4ccccc4)CC3)nc21 ZINC000176602163 823245888 /nfs/dbraw/zinc/24/58/88/823245888.db2.gz IVUBKIICCAHBJJ-GOSISDBHSA-N 1 0 390.531 4.146 20 0 GIADRO OCC1CCN(c2ccc(NCc3cnc(-c4ccccc4F)s3)nc2)CC1 ZINC000571867255 823247768 /nfs/dbraw/zinc/24/77/68/823247768.db2.gz NZBCNQUJWWLGGA-UHFFFAOYSA-N 1 0 398.507 4.165 20 0 GIADRO CCC[N@H+](CC)Cc1ccc(C(=O)N(C)CC(=O)Nc2c(C)cccc2C)cc1 ZINC000409573796 823252342 /nfs/dbraw/zinc/25/23/42/823252342.db2.gz LOQPZFKHDYOTRX-UHFFFAOYSA-N 1 0 395.547 4.246 20 0 GIADRO CCCCOc1cc(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)ccc1OC ZINC000121776341 823248287 /nfs/dbraw/zinc/24/82/87/823248287.db2.gz DSWFKIJOYPBVNT-IBGZPJMESA-N 1 0 394.519 4.296 20 0 GIADRO C[NH+](C)Cc1ccsc1C(=O)NCc1cccc(OCc2ccccc2)c1 ZINC000571907948 823252418 /nfs/dbraw/zinc/25/24/18/823252418.db2.gz SPBKDSXJVCTMKU-UHFFFAOYSA-N 1 0 380.513 4.319 20 0 GIADRO C=CCc1cc(OCC)cc(C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)c1O ZINC000057087458 823248469 /nfs/dbraw/zinc/24/84/69/823248469.db2.gz LPPQFAYTQSHMLX-UHFFFAOYSA-N 1 0 390.524 4.009 20 0 GIADRO COc1cc(NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)cc(OC)c1Cl ZINC000459682944 823249937 /nfs/dbraw/zinc/24/99/37/823249937.db2.gz TYGOPMYLGJMLBF-CQSZACIVSA-N 1 0 383.920 4.133 20 0 GIADRO CCc1cccc(Cc2cnc(NC(=O)N3CCC4(CC[NH2+]CC4)CC3)s2)c1 ZINC000571891664 823250696 /nfs/dbraw/zinc/25/06/96/823250696.db2.gz QSIHXYBAIBHDSR-UHFFFAOYSA-N 1 0 398.576 4.294 20 0 GIADRO C[C@H](c1ccccc1Br)N(C)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000176621658 823250896 /nfs/dbraw/zinc/25/08/96/823250896.db2.gz TVVKGXRWSIBUMQ-ILXRZTDVSA-N 1 0 382.346 4.024 20 0 GIADRO FC(F)(F)Oc1cccc(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c1 ZINC000121786843 823251188 /nfs/dbraw/zinc/25/11/88/823251188.db2.gz QUYYJRNLEIIXAH-OAHLLOKOSA-N 1 0 376.382 4.008 20 0 GIADRO CC(C)[C@H](SCc1ccccc1)C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000176624164 823251695 /nfs/dbraw/zinc/25/16/95/823251695.db2.gz RMLOQJMXHIKWKN-QFIPXVFZSA-N 1 0 397.588 4.120 20 0 GIADRO CC(C)[C@@H]1C[C@H](CC(=O)Nc2nc3c(s2)C[N@@H+](C(C)(C)C)CC3)CCO1 ZINC000571910541 823252943 /nfs/dbraw/zinc/25/29/43/823252943.db2.gz GKCCMVFKJZGHDY-ZBFHGGJFSA-N 1 0 379.570 4.080 20 0 GIADRO CCCCCOc1ccc(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000057166478 823257635 /nfs/dbraw/zinc/25/76/35/823257635.db2.gz LGWZULOZBQNBHF-UHFFFAOYSA-N 1 0 381.520 4.045 20 0 GIADRO CC(C)c1nnc(CCC(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)o1 ZINC000176629745 823253239 /nfs/dbraw/zinc/25/32/39/823253239.db2.gz UMZWSNQMGYSQMP-UHFFFAOYSA-N 1 0 398.551 4.207 20 0 GIADRO C[NH+](C)CCN(Cc1ccccc1)C(=O)N[C@@H](CC(F)(F)F)c1ccccc1 ZINC000057131241 823253183 /nfs/dbraw/zinc/25/31/83/823253183.db2.gz JNDPASVPTVBUSO-IBGZPJMESA-N 1 0 393.453 4.454 20 0 GIADRO O=C(NCc1ccc(C(F)(F)F)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000057138809 823253838 /nfs/dbraw/zinc/25/38/38/823253838.db2.gz GQIZYJVPZREWOS-UHFFFAOYSA-N 1 0 376.422 4.234 20 0 GIADRO CSc1ccc2c(c1)[C@H]([NH2+]C1CCN(C(=O)c3ccccc3O)CC1)CCC2 ZINC000571920871 823254258 /nfs/dbraw/zinc/25/42/58/823254258.db2.gz NCZQJAFQWMLCBG-OAQYLSRUSA-N 1 0 396.556 4.386 20 0 GIADRO CO[C@](C)([C@@H](C)[NH2+]CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)C1CC1 ZINC000411935766 823615232 /nfs/dbraw/zinc/61/52/32/823615232.db2.gz BQJGKUVWPZSQIO-QLJPJBMISA-N 1 0 378.822 4.091 20 0 GIADRO Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH2+]C1(CO)CCSCC1 ZINC000459721882 823256619 /nfs/dbraw/zinc/25/66/19/823256619.db2.gz HOVBVBRZMYHARG-UHFFFAOYSA-N 1 0 393.556 4.195 20 0 GIADRO O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000057155697 823256689 /nfs/dbraw/zinc/25/66/89/823256689.db2.gz HWUOWZOUEMJFOY-UHFFFAOYSA-N 1 0 391.490 4.104 20 0 GIADRO Fc1cccc(C[N@@H+]2CCC[C@H](c3nc([C@H]4COc5ccccc5O4)no3)C2)c1 ZINC000571935355 823256691 /nfs/dbraw/zinc/25/66/91/823256691.db2.gz KRXSRVZVRYVMQH-OXJNMPFZSA-N 1 0 395.434 4.101 20 0 GIADRO O=C(N[C@@H](c1c(Cl)cccc1Cl)C1CC1)NC1CC[NH+](C2CC2)CC1 ZINC000571934901 823256922 /nfs/dbraw/zinc/25/69/22/823256922.db2.gz NBTSRSVARHDZND-GOSISDBHSA-N 1 0 382.335 4.371 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1ccccc1Nc1ccccc1 ZINC000057165641 823257549 /nfs/dbraw/zinc/25/75/49/823257549.db2.gz KFKSABRWRGGLDL-UHFFFAOYSA-N 1 0 386.499 4.220 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1)C1CCOCC1 ZINC000459733549 823258496 /nfs/dbraw/zinc/25/84/96/823258496.db2.gz JYWWUIHFLZQIFI-PUZWTLIVSA-N 1 0 382.523 4.198 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000571947345 823258627 /nfs/dbraw/zinc/25/86/27/823258627.db2.gz LELZIOQVGMXCGJ-JOCHJYFZSA-N 1 0 390.531 4.088 20 0 GIADRO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C2(CO)CCSCC2)cc1 ZINC000459740450 823258836 /nfs/dbraw/zinc/25/88/36/823258836.db2.gz YYJWVKDDIRGKJS-UHFFFAOYSA-N 1 0 393.556 4.195 20 0 GIADRO COc1ccc(NC(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc1SC ZINC000459746494 823259556 /nfs/dbraw/zinc/25/95/56/823259556.db2.gz CAVFCFYMRABUPM-QAPCUYQASA-N 1 0 385.533 4.202 20 0 GIADRO COc1ccc([C@H](CO)C[NH2+]Cc2ccc(Oc3cccnc3)c(C)c2)cc1 ZINC000459752147 823260520 /nfs/dbraw/zinc/26/05/20/823260520.db2.gz OFMBTCCOSBCCMN-FQEVSTJZSA-N 1 0 378.472 4.057 20 0 GIADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)Cc1cnc(-c2ccccc2)nc1 ZINC000571959612 823260692 /nfs/dbraw/zinc/26/06/92/823260692.db2.gz ANPJDTOWTYQVLN-HSZRJFAPSA-N 1 0 387.531 4.025 20 0 GIADRO C[N@H+](CCCNC(=O)N1CC[C@H](Cc2ccc(F)cc2)C1)C1CCCCC1 ZINC000571959726 823260734 /nfs/dbraw/zinc/26/07/34/823260734.db2.gz JAICCWKWKIGLRS-LJQANCHMSA-N 1 0 375.532 4.054 20 0 GIADRO COc1ccc([C@H](CO)C[NH2+]Cc2ccc(-c3ccccc3OC)cc2)cc1 ZINC000459757334 823261013 /nfs/dbraw/zinc/26/10/13/823261013.db2.gz RNQJNVIHUKDBFK-NRFANRHFSA-N 1 0 377.484 4.237 20 0 GIADRO O=C(NC[C@H]1CCCC(F)(F)C1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000409611440 823261141 /nfs/dbraw/zinc/26/11/41/823261141.db2.gz IWVQZIQHBFBXPV-INIZCTEOSA-N 1 0 399.913 4.429 20 0 GIADRO Fc1ccc(/C=C\C[NH2+][C@@H]2CCO[C@H]2c2cncc(Br)c2)c(F)c1 ZINC000459758556 823261337 /nfs/dbraw/zinc/26/13/37/823261337.db2.gz IKNLCQKHKPQBAB-ZSCXUVNLSA-N 1 0 395.247 4.255 20 0 GIADRO Fc1ccc(C2CC([NH2+][C@@H]3CCO[C@H]3c3cncc(Br)c3)C2)cc1 ZINC000459760196 823261585 /nfs/dbraw/zinc/26/15/85/823261585.db2.gz JVBBCVQTGGLOSM-NZFXJPAUSA-N 1 0 391.284 4.349 20 0 GIADRO CSc1ccc(C[NH2+][C@@H]2CCO[C@H]2c2cncc(Br)c2)s1 ZINC000459761146 823261638 /nfs/dbraw/zinc/26/16/38/823261638.db2.gz KTVLBOOXXOGORA-HIFRSBDPSA-N 1 0 385.352 4.247 20 0 GIADRO Cc1cc(Cl)ccc1C[NH2+][C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000459762065 823261660 /nfs/dbraw/zinc/26/16/60/823261660.db2.gz LPIFNBTVPSBEDZ-SJORKVTESA-N 1 0 381.701 4.426 20 0 GIADRO Cn1cc(CC[NH2+]C2CCN(Cc3cccnc3)CC2)c2ccc(Cl)cc21 ZINC000188559022 823261863 /nfs/dbraw/zinc/26/18/63/823261863.db2.gz CNADDSWVJZQFED-UHFFFAOYSA-N 1 0 382.939 4.023 20 0 GIADRO C[C@H](C[NH2+][C@@H]1CCO[C@H]1c1cncc(Br)c1)c1cc(F)cc(F)c1 ZINC000459764027 823261838 /nfs/dbraw/zinc/26/18/38/823261838.db2.gz NIWWFZAPERLCHL-AFBMGJRZSA-N 1 0 397.263 4.346 20 0 GIADRO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cn(C)c2cc(Cl)ccc12 ZINC000188557311 823261907 /nfs/dbraw/zinc/26/19/07/823261907.db2.gz MYXMURUZZQFCSC-VGSWGCGISA-N 1 0 396.966 4.269 20 0 GIADRO Cc1cnc([C@H](C)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)o1 ZINC000459765598 823262280 /nfs/dbraw/zinc/26/22/80/823262280.db2.gz NXZXGTCRNVBQGA-BULFRSBZSA-N 1 0 379.479 4.441 20 0 GIADRO C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000459775308 823263463 /nfs/dbraw/zinc/26/34/63/823263463.db2.gz XFRFTBYYMWHBRC-QAMTZSDWSA-N 1 0 375.310 4.456 20 0 GIADRO COc1ccc(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)cc1-c1ccccn1 ZINC000121856587 823263986 /nfs/dbraw/zinc/26/39/86/823263986.db2.gz TZKBGKSWBCJJIS-GOSISDBHSA-N 1 0 381.520 4.142 20 0 GIADRO CC(C)Oc1ccccc1CNC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000057211203 823264846 /nfs/dbraw/zinc/26/48/46/823264846.db2.gz XIXLDAACIUAEAD-UHFFFAOYSA-N 1 0 399.510 4.077 20 0 GIADRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1csc(-c2cc(Br)ccc2OC)n1 ZINC000459785836 823264908 /nfs/dbraw/zinc/26/49/08/823264908.db2.gz ZPZIQHCBLJDEHL-CABCVRRESA-N 1 0 397.338 4.238 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)NC[C@H]2CCCC(F)(F)C2)CC[N@@H+]1Cc1ccccc1 ZINC000409625106 823264930 /nfs/dbraw/zinc/26/49/30/823264930.db2.gz OGRHNGBIZHXBHG-NZSAHSFTSA-N 1 0 379.495 4.164 20 0 GIADRO COc1ccccc1CSc1ccccc1NC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000571982209 823265285 /nfs/dbraw/zinc/26/52/85/823265285.db2.gz XJWVIUBEEAMABK-FUHWJXTLSA-N 1 0 397.544 4.061 20 0 GIADRO Cc1ccc([C@H]([NH2+]C[C@@H]2CCC=CO2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000188580492 823265588 /nfs/dbraw/zinc/26/55/88/823265588.db2.gz RSXUDEVMCSWNCK-SIKLNZKXSA-N 1 0 385.529 4.079 20 0 GIADRO Cc1cc(C(=O)NC2CC[NH+](CCOC(C)C)CC2)c(C)n1C1CCCCC1 ZINC000176679026 823265804 /nfs/dbraw/zinc/26/58/04/823265804.db2.gz NFYHOQLCUAQQKT-UHFFFAOYSA-N 1 0 389.584 4.229 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)C1(c2cccc(F)c2)CCCCC1 ZINC000057217464 823265991 /nfs/dbraw/zinc/26/59/91/823265991.db2.gz NJKHACXWDRUCCZ-UHFFFAOYSA-N 1 0 395.522 4.203 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NC[C@H]1CCCC(F)(F)C1 ZINC000409629650 823266855 /nfs/dbraw/zinc/26/68/55/823266855.db2.gz HJTQHGGDHHIITP-MJGOQNOKSA-N 1 0 379.495 4.118 20 0 GIADRO COc1cc(NC(=O)CC[NH2+]CC[C@@H](C)c2ccccc2)c(OC)cc1Cl ZINC000571993710 823266927 /nfs/dbraw/zinc/26/69/27/823266927.db2.gz HAGVBVVGYCDKFS-OAHLLOKOSA-N 1 0 390.911 4.469 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)cc1F ZINC000121874615 823267762 /nfs/dbraw/zinc/26/77/62/823267762.db2.gz XJZXVASCUUCYIE-IAGOWNOFSA-N 1 0 394.412 4.326 20 0 GIADRO C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(NC(=O)Nc2cccc3c2CCCC3)c1 ZINC000572001362 823267935 /nfs/dbraw/zinc/26/79/35/823267935.db2.gz QDVBJVJOXJMYJI-BEFAXECRSA-N 1 0 392.503 4.146 20 0 GIADRO C[C@@H]([NH2+]C1(CNC(=O)C/C=C/c2cccc(F)c2)CCOCC1)c1ccccc1 ZINC000176689532 823268610 /nfs/dbraw/zinc/26/86/10/823268610.db2.gz CHUHYAKRDYYSQA-ZLQZBKBYSA-N 1 0 396.506 4.245 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)CC[N@@H+]1C ZINC000572018697 823269552 /nfs/dbraw/zinc/26/95/52/823269552.db2.gz MRLIJNFTGCNPAV-OCCSQVGLSA-N 1 0 378.929 4.410 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1NC(C)=O ZINC000121882021 823269560 /nfs/dbraw/zinc/26/95/60/823269560.db2.gz ASKVYNCIUOFPJS-LSDHHAIUSA-N 1 0 395.503 4.414 20 0 GIADRO Cc1ccc(-c2c[nH]cc2C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)s1 ZINC000188598209 823269721 /nfs/dbraw/zinc/26/97/21/823269721.db2.gz XBJFAMIDGGSOCM-UHFFFAOYSA-N 1 0 394.544 4.051 20 0 GIADRO Cc1cc(SC2CCCCC2)ccc1NC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000572028208 823271491 /nfs/dbraw/zinc/27/14/91/823271491.db2.gz IZSNBAAYOQVMFS-INIZCTEOSA-N 1 0 399.564 4.188 20 0 GIADRO CC(=O)Nc1ccc(C)c(C(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c1 ZINC000188610458 823272341 /nfs/dbraw/zinc/27/23/41/823272341.db2.gz AEVQNDBVTUWPBU-SFHVURJKSA-N 1 0 385.552 4.070 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)[C@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)cc1F ZINC000121899272 823272796 /nfs/dbraw/zinc/27/27/96/823272796.db2.gz SICAEDVRCFCYLB-MSOLQXFVSA-N 1 0 394.412 4.326 20 0 GIADRO CN(CCC1CCOCC1)C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000176728863 823279303 /nfs/dbraw/zinc/27/93/03/823279303.db2.gz VBVPXJXUZZNOAL-UHFFFAOYSA-N 1 0 380.532 4.207 20 0 GIADRO O=C(c1ccsc1Br)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000460025358 823280530 /nfs/dbraw/zinc/28/05/30/823280530.db2.gz NXRPHJGCNMLZEU-ZDUSSCGKSA-N 1 0 377.307 4.135 20 0 GIADRO O=C(C[NH+]1CCCCCC1)Nc1ccc(NC(=O)[C@@H]2CCCC(F)(F)C2)cc1 ZINC000572059921 823275970 /nfs/dbraw/zinc/27/59/70/823275970.db2.gz SCBFSPMILBTFCR-MRXNPFEDSA-N 1 0 393.478 4.265 20 0 GIADRO C[C@@H](c1ccco1)N(C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)C1CC1 ZINC000121913374 823276023 /nfs/dbraw/zinc/27/60/23/823276023.db2.gz USXWJTUVGYRATP-DLBZAZTESA-N 1 0 387.549 4.488 20 0 GIADRO COc1ccccc1[C@@H](CNC(=S)Nc1ccc(C)c(C)c1)[NH+]1CCCC1 ZINC000006334244 817678148 /nfs/dbraw/zinc/67/81/48/817678148.db2.gz XYYYHUQMDCRNLI-HXUWFJFHSA-N 1 0 383.561 4.436 20 0 GIADRO COc1ccc([C@@H](CNC(=S)Nc2cccc(C)c2C)[NH+]2CCCC2)cc1 ZINC000006336005 817678308 /nfs/dbraw/zinc/67/83/08/817678308.db2.gz ZXDLJAGXRKKRPL-OAQYLSRUSA-N 1 0 383.561 4.436 20 0 GIADRO CC(C)C[C@@H](CNC(=O)c1cnc2cnccc2c1)[NH2+][C@H](C)c1ccccc1 ZINC000409680237 823281378 /nfs/dbraw/zinc/28/13/78/823281378.db2.gz VRDBLYVBAUOJHG-UTKZUKDTSA-N 1 0 376.504 4.125 20 0 GIADRO Cc1c(Br)cccc1C[NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000572090101 823281852 /nfs/dbraw/zinc/28/18/52/823281852.db2.gz SQEDUFGAFVHBGD-YWZLYKJASA-N 1 0 388.353 4.153 20 0 GIADRO CC[NH+](CC)CCOC(=O)c1ccc(NC(=S)Nc2ccccc2F)cc1 ZINC000006629864 817712758 /nfs/dbraw/zinc/71/27/58/817712758.db2.gz QVWJDPXCLBXGOF-UHFFFAOYSA-N 1 0 389.496 4.133 20 0 GIADRO O=C(NCc1ccc2c(c1)C[NH2+]C2)[C@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000188684473 823285672 /nfs/dbraw/zinc/28/56/72/823285672.db2.gz XGANZJWGDGELFR-DQEYMECFSA-N 1 0 398.506 4.289 20 0 GIADRO CCN(C(=O)NCc1ccc(OCC[NH+](C)C)cc1)[C@H](C)c1ccc(F)cc1 ZINC000121949039 823283146 /nfs/dbraw/zinc/28/31/46/823283146.db2.gz XUZBPXOMMAFZPH-QGZVFWFLSA-N 1 0 387.499 4.059 20 0 GIADRO C[C@H](NC(=O)C[N@@H+]1CC[C@H](c2ccncc2)C1)c1ccc(Cl)cc1Cl ZINC000572100230 823283233 /nfs/dbraw/zinc/28/32/33/823283233.db2.gz MJNKDUWGEGPMSY-ZFWWWQNUSA-N 1 0 378.303 4.055 20 0 GIADRO Cc1ccc(C(=O)Nc2ccc(C[NH+]3CCSCC3)cc2C)c(C2CC2)n1 ZINC000460066657 823283235 /nfs/dbraw/zinc/28/32/35/823283235.db2.gz WRTDXDFAOXTWTP-UHFFFAOYSA-N 1 0 381.545 4.377 20 0 GIADRO O=C(NCc1ccc2c(c1)C[NH2+]C2)[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000188684524 823285702 /nfs/dbraw/zinc/28/57/02/823285702.db2.gz XGANZJWGDGELFR-LOSJGSFVSA-N 1 0 398.506 4.289 20 0 GIADRO COc1cccc2c1CC[C@@H]2[NH2+][C@H](C)c1ccc(OC)c(Cn2cccn2)c1 ZINC000121949640 823283422 /nfs/dbraw/zinc/28/34/22/823283422.db2.gz NMCAKQWDGJXTNS-IERDGZPVSA-N 1 0 377.488 4.287 20 0 GIADRO COc1cccc2c1CCC[C@H]2[NH2+]CC(=O)Nc1ccc(Br)cc1 ZINC000572101826 823283555 /nfs/dbraw/zinc/28/35/55/823283555.db2.gz MGRSYSQUYMRBQD-QGZVFWFLSA-N 1 0 389.293 4.063 20 0 GIADRO Cc1ccc(Oc2ccc(NC(=O)N3CCC([C@H]4[NH2+]CC4(C)C)CC3)cn2)cc1 ZINC000572100842 823283597 /nfs/dbraw/zinc/28/35/97/823283597.db2.gz KMADLPASTSVTDN-OAQYLSRUSA-N 1 0 394.519 4.424 20 0 GIADRO [NH3+]C[C@H](NC(=O)N[C@H](c1ccccc1)[C@@H]1CCCO1)c1ccc2ccccc2c1 ZINC000572103255 823283839 /nfs/dbraw/zinc/28/38/39/823283839.db2.gz RJLZWFYMAUYLSM-RJGXRXQPSA-N 1 0 389.499 4.059 20 0 GIADRO CC[NH+]1CCC(N(C(=O)c2cccc(OCc3csc(C)n3)c2)C2CC2)CC1 ZINC000057371477 823284011 /nfs/dbraw/zinc/28/40/11/823284011.db2.gz IBIYNKNGRHFIOL-UHFFFAOYSA-N 1 0 399.560 4.119 20 0 GIADRO CCO[C@@H]1C[C@]([NH3+])(C(=O)Nc2nc(-c3ccc(F)c(Cl)c3)cs2)C1(C)C ZINC000572117030 823286006 /nfs/dbraw/zinc/28/60/06/823286006.db2.gz QFJNLPMTUZBPOL-KDOFPFPSSA-N 1 0 397.903 4.074 20 0 GIADRO Cc1cccnc1[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(OC(F)F)cc1)C(C)C ZINC000572109453 823284571 /nfs/dbraw/zinc/28/45/71/823284571.db2.gz PSZHBHYTFMRLQH-RHSMWYFYSA-N 1 0 377.435 4.305 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NCC(=O)Nc2ccc(F)cc2)CC1 ZINC000572110224 823284989 /nfs/dbraw/zinc/28/49/89/823284989.db2.gz XKKXOHQWUSZWJJ-UHFFFAOYSA-N 1 0 391.874 4.003 20 0 GIADRO CN(CCC[NH+](C)C)C(=O)N[C@H](Cc1ccccc1)c1nc2ccccc2s1 ZINC000572119304 823286108 /nfs/dbraw/zinc/28/61/08/823286108.db2.gz NJVOTKRDYHPXPB-LJQANCHMSA-N 1 0 396.560 4.173 20 0 GIADRO CCC(CC)C(=O)N1CCC([NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000121970958 823286570 /nfs/dbraw/zinc/28/65/70/823286570.db2.gz GLTHHKWQMNAQSL-QFIPXVFZSA-N 1 0 384.564 4.406 20 0 GIADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(C)(C)Cc2nc3ccccc3[nH]2)C1 ZINC000409704496 823286794 /nfs/dbraw/zinc/28/67/94/823286794.db2.gz YNPQNZIUNVBXCK-OALUTQOASA-N 1 0 396.579 4.245 20 0 GIADRO CCc1cccc(C)c1NC(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000176767863 823288145 /nfs/dbraw/zinc/28/81/45/823288145.db2.gz KRTPMZMYQDIJRV-KDURUIRLSA-N 1 0 387.568 4.301 20 0 GIADRO CCc1cccc(C)c1NC(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000176767892 823288259 /nfs/dbraw/zinc/28/82/59/823288259.db2.gz KRTPMZMYQDIJRV-OALUTQOASA-N 1 0 387.568 4.301 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccnn2Cc2ccc(C(C)C)cc2)[C@H](C)C1 ZINC000460133424 823291476 /nfs/dbraw/zinc/29/14/76/823291476.db2.gz JJMDGLOOHSYQEN-WIYYLYMNSA-N 1 0 397.567 4.249 20 0 GIADRO Cc1ccc2c(CC[NH2+]C3CCC4(CC3)C(=O)Nc3ccccc34)cn(C)c2c1 ZINC000188698537 823288333 /nfs/dbraw/zinc/28/83/33/823288333.db2.gz VEAGKSGIXBLIEO-UHFFFAOYSA-N 1 0 387.527 4.452 20 0 GIADRO Cc1ccc2c(CC[NH2+][C@H](C)c3ccc(N4CCOC4=O)cc3)cn(C)c2c1 ZINC000188699868 823288364 /nfs/dbraw/zinc/28/83/64/823288364.db2.gz PPTATKSZYCAPQS-QGZVFWFLSA-N 1 0 377.488 4.337 20 0 GIADRO CC[C@@H]([NH2+]Cc1ccc(C)nc1-n1cc(Cl)cn1)c1ccc(C(=O)OC)cc1 ZINC000572138694 823288866 /nfs/dbraw/zinc/28/88/66/823288866.db2.gz KKYUODNZJPNGCP-LJQANCHMSA-N 1 0 398.894 4.257 20 0 GIADRO Cc1c(Cl)cccc1NC(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000176771943 823289347 /nfs/dbraw/zinc/28/93/47/823289347.db2.gz YLWKAYCYVHXQGK-HZPDHXFCSA-N 1 0 393.959 4.392 20 0 GIADRO CCc1ccc([C@@H]([NH2+]CC(=O)Nc2ccc(N3CCOCC3)cc2)C(C)C)cc1 ZINC000007251421 817805001 /nfs/dbraw/zinc/80/50/01/817805001.db2.gz YRBNMDMMMFJFPS-DEOSSOPVSA-N 1 0 395.547 4.011 20 0 GIADRO COc1ccccc1[C@@H](C[NH2+]Cc1cn(-c2ccccc2)nc1C(C)C)N(C)C ZINC000409716190 823289515 /nfs/dbraw/zinc/28/95/15/823289515.db2.gz ANQYRPFHTLKINJ-JOCHJYFZSA-N 1 0 392.547 4.397 20 0 GIADRO FC(F)(F)c1nn(CN2CCC(CCC[NH+]3CCCC3)CC2)c(=S)s1 ZINC000188710358 823290222 /nfs/dbraw/zinc/29/02/22/823290222.db2.gz ASEOQFHNTHUNTD-UHFFFAOYSA-N 1 0 394.532 4.238 20 0 GIADRO CCOc1cc(NC(=O)N(CC)[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1OC ZINC000460127633 823290374 /nfs/dbraw/zinc/29/03/74/823290374.db2.gz NFDKQBAMGOTUFG-HXUWFJFHSA-N 1 0 397.519 4.222 20 0 GIADRO CCCC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)NCC[NH+](CC)CC)c1 ZINC000121997520 823290696 /nfs/dbraw/zinc/29/06/96/823290696.db2.gz SXUGTDAQUMGRQP-UHFFFAOYSA-N 1 0 396.963 4.112 20 0 GIADRO C[NH+](C)[C@H](CNC(=S)Nc1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC000007368492 817825121 /nfs/dbraw/zinc/82/51/21/817825121.db2.gz FKTDZYFKKYDSQN-MRXNPFEDSA-N 1 0 383.439 4.175 20 0 GIADRO O=C(N[C@@H](c1c(Cl)cccc1Cl)C1CC1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000460130078 823290914 /nfs/dbraw/zinc/29/09/14/823290914.db2.gz KTVBAKMWQUNCMM-HBUWYVDXSA-N 1 0 382.335 4.371 20 0 GIADRO C[C@@H]1C[NH+](CCC2CCN(C(=O)Nc3ccc(F)cc3Cl)CC2)C[C@@H](C)O1 ZINC000176778173 823290977 /nfs/dbraw/zinc/29/09/77/823290977.db2.gz FUJZTQDPVNVMKK-HUUCEWRRSA-N 1 0 397.922 4.222 20 0 GIADRO C[C@@H]1CCCC[C@@H]1NC(=S)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000007402988 817831478 /nfs/dbraw/zinc/83/14/78/817831478.db2.gz HRMIECWPUPSRGR-BEFAXECRSA-N 1 0 380.001 4.347 20 0 GIADRO COc1cccc(NC(=O)[C@H]([NH2+]CCOc2ccc(C)cc2)c2ccccc2)c1 ZINC000007419957 817837100 /nfs/dbraw/zinc/83/71/00/817837100.db2.gz VIPYKWRCTNUCMS-HSZRJFAPSA-N 1 0 390.483 4.352 20 0 GIADRO COc1ccc([C@@H](C)C[N@@H+]2CCC[C@H](c3nc(C(F)(F)F)cn3C)C2)cc1 ZINC000572165323 823293031 /nfs/dbraw/zinc/29/30/31/823293031.db2.gz AZAOXNFFAJCSEF-HOCLYGCPSA-N 1 0 381.442 4.431 20 0 GIADRO COCC[N@H+](C)CC[C@@H](NC(=O)[C@H](C)c1cccc(Cl)c1)c1ccccc1 ZINC000460150464 823298016 /nfs/dbraw/zinc/29/80/16/823298016.db2.gz MYDJYDMYGNFRNZ-DYESRHJHSA-N 1 0 388.939 4.269 20 0 GIADRO O=C(CCCOc1ccc(Cl)cc1Cl)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188724211 823293198 /nfs/dbraw/zinc/29/31/98/823293198.db2.gz NXEZFOPMCQJZTR-UHFFFAOYSA-N 1 0 379.287 4.072 20 0 GIADRO COc1c(Br)cc(C[NH2+]C[C@H]2CCCS2)cc1Br ZINC000122023574 823294747 /nfs/dbraw/zinc/29/47/47/823294747.db2.gz SYPALIDSTAVLSN-SNVBAGLBSA-N 1 0 395.160 4.205 20 0 GIADRO CCc1ccc(NC(=S)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)cc1 ZINC000007583793 817874390 /nfs/dbraw/zinc/87/43/90/817874390.db2.gz AUXQPMAAYOLPQL-OAQYLSRUSA-N 1 0 383.561 4.381 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)N[C@H](COC)c1cccc(Cl)c1)c1ccco1 ZINC000460141523 823295123 /nfs/dbraw/zinc/29/51/23/823295123.db2.gz GEAHLYOQJPJBNI-QZTJIDSGSA-N 1 0 393.915 4.003 20 0 GIADRO COc1ccc([C@H](C)[NH2+]Cc2ccc(Br)o2)cc1Cn1cccn1 ZINC000188736879 823295280 /nfs/dbraw/zinc/29/52/80/823295280.db2.gz TXZMFUYJAUWARU-ZDUSSCGKSA-N 1 0 390.281 4.146 20 0 GIADRO O=C(CC[NH2+]C1CC1)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000572179425 823295596 /nfs/dbraw/zinc/29/55/96/823295596.db2.gz UYYIAEGSGFPARQ-SFHVURJKSA-N 1 0 381.907 4.212 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)ccc1OCCO ZINC000122027167 823295677 /nfs/dbraw/zinc/29/56/77/823295677.db2.gz RHBBUIDYYWWDDW-IERDGZPVSA-N 1 0 397.515 4.120 20 0 GIADRO COCC[N@H+](C)CC[C@H](NC(=O)[C@H]1CCSc2ccccc21)c1ccccc1 ZINC000460149709 823297818 /nfs/dbraw/zinc/29/78/18/823297818.db2.gz JQKZSLBVIFJOJO-SFTDATJTSA-N 1 0 398.572 4.092 20 0 GIADRO C[C@@H]1C[NH+](CCC2CCN(C(=O)Nc3cccc(Cl)c3F)CC2)C[C@@H](C)O1 ZINC000176802566 823296309 /nfs/dbraw/zinc/29/63/09/823296309.db2.gz QCPDQYIDMHGEGW-HUUCEWRRSA-N 1 0 397.922 4.222 20 0 GIADRO CC[NH+]1CCC(NC(=O)CSc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000007679908 817893208 /nfs/dbraw/zinc/89/32/08/817893208.db2.gz NMDCZGVRXZNFFG-UHFFFAOYSA-N 1 0 380.863 4.051 20 0 GIADRO COc1ccc([C@@H](CNC(=S)NC2CCCCC2)[NH+]2CCCCC2)cc1 ZINC000007678681 817893266 /nfs/dbraw/zinc/89/32/66/817893266.db2.gz OLIATHGRZOCKQN-HXUWFJFHSA-N 1 0 375.582 4.019 20 0 GIADRO O=C(Cc1cccc(OC(F)F)c1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000409758449 823300462 /nfs/dbraw/zinc/30/04/62/823300462.db2.gz FFKHQHQJOXOQQM-UHFFFAOYSA-N 1 0 392.471 4.018 20 0 GIADRO CC(C)n1cnc(C(=O)N2CC[N@H+](Cc3ccccc3)C3(CCCCC3)C2)c1 ZINC000409768781 823303205 /nfs/dbraw/zinc/30/32/05/823303205.db2.gz SPUCTWXXKHOLEC-UHFFFAOYSA-N 1 0 380.536 4.125 20 0 GIADRO O=C(Cc1c[nH]c2cc(F)ccc12)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000572210938 823301296 /nfs/dbraw/zinc/30/12/96/823301296.db2.gz BHRCMFKYOKUONZ-LJQANCHMSA-N 1 0 393.506 4.268 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)N(C)Cc2ccccc2N(C)C)[NH+]2CCCC2)cc1 ZINC000460158562 823301350 /nfs/dbraw/zinc/30/13/50/823301350.db2.gz DXAUQAWCHCLXAG-HSZRJFAPSA-N 1 0 394.563 4.040 20 0 GIADRO CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H](C)c1cccc(NC(C)=O)c1 ZINC000460163373 823302500 /nfs/dbraw/zinc/30/25/00/823302500.db2.gz KTWNNGZLXWSADY-SFHVURJKSA-N 1 0 388.556 4.004 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000572216663 823302744 /nfs/dbraw/zinc/30/27/44/823302744.db2.gz RNOIJCACMOPGNI-ZLNRFVROSA-N 1 0 399.579 4.262 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)N[C@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000572197613 823298323 /nfs/dbraw/zinc/29/83/23/823298323.db2.gz JEZHSBPZFPSWPN-SFTDATJTSA-N 1 0 375.532 4.225 20 0 GIADRO CCCC[N@H+](C)C[C@H](C)NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000572203427 823299480 /nfs/dbraw/zinc/29/94/80/823299480.db2.gz YZWROTOUYLXRPY-HNNXBMFYSA-N 1 0 377.916 4.164 20 0 GIADRO CC(C)[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(C(N)=O)cc1)c1ccc(C(C)(C)C)cc1 ZINC000008001307 817979514 /nfs/dbraw/zinc/97/95/14/817979514.db2.gz MRKSZQCVGAWBQU-IIBYNOLFSA-N 1 0 395.547 4.397 20 0 GIADRO CCOC1CC(CC[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000188780051 823303889 /nfs/dbraw/zinc/30/38/89/823303889.db2.gz KETGDNHFXDBLAY-UHFFFAOYSA-N 1 0 378.314 4.134 20 0 GIADRO CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@@H]1CC[C@@H](O)C1 ZINC000188801356 823308594 /nfs/dbraw/zinc/30/85/94/823308594.db2.gz VXSMUNKSIFVTPQ-RDTXWAMCSA-N 1 0 392.341 4.009 20 0 GIADRO C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000008201637 818017210 /nfs/dbraw/zinc/01/72/10/818017210.db2.gz COZNADFXMNGJRS-BRWVUGGUSA-N 1 0 385.577 4.369 20 0 GIADRO Cc1cc(Br)ccc1NC(=O)C[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000008247447 818022420 /nfs/dbraw/zinc/02/24/20/818022420.db2.gz MCQFCKMZPYZCID-NSHDSACASA-N 1 0 383.236 4.325 20 0 GIADRO CCCc1ccccc1NC(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000176838418 823305858 /nfs/dbraw/zinc/30/58/58/823305858.db2.gz FGMPKKSGKSKTDL-KDURUIRLSA-N 1 0 387.568 4.382 20 0 GIADRO C[N@@H+]1CCCC[C@@H]1CCSc1nnc(CN2CCCCC2)n1-c1ccccc1 ZINC000057530300 823307061 /nfs/dbraw/zinc/30/70/61/823307061.db2.gz GIAFGQNZDBFPLC-LJQANCHMSA-N 1 0 399.608 4.220 20 0 GIADRO C[C@@H]([NH2+]CC(c1ccccc1)c1ccccc1)C(=O)NC(=O)Nc1ccccc1 ZINC000011047000 818047853 /nfs/dbraw/zinc/04/78/53/818047853.db2.gz VBAIAMXOAIGMCP-GOSISDBHSA-N 1 0 387.483 4.145 20 0 GIADRO CC[C@@H]([NH2+][C@H](C)C(=O)NCc1ccc(OC)c(OC)c1)c1ccc(Cl)cc1 ZINC000011048571 818048459 /nfs/dbraw/zinc/04/84/59/818048459.db2.gz KHPCKBXMYGFQEY-RDTXWAMCSA-N 1 0 390.911 4.103 20 0 GIADRO Cc1nc(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)sc1C(F)(F)F ZINC000572260301 823308956 /nfs/dbraw/zinc/30/89/56/823308956.db2.gz XHBBIPZOFIHUHP-NSHDSACASA-N 1 0 388.415 4.022 20 0 GIADRO COc1cnccc1[C@@H](C)[NH2+][C@@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000188797836 823308064 /nfs/dbraw/zinc/30/80/64/823308064.db2.gz ZIPHBULPHJXLDM-QWHCGFSZSA-N 1 0 397.397 4.057 20 0 GIADRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)Nc2ccc(F)cc2-c2cnn(C)c2)cc1 ZINC000572259142 823309067 /nfs/dbraw/zinc/30/90/67/823309067.db2.gz XFCGYSSRDQAIII-HXUWFJFHSA-N 1 0 395.482 4.171 20 0 GIADRO Cc1ccc(C2(C[NH2+]Cc3cnc(-c4cnn(C)c4)nc3)CCCC2)c(C)c1 ZINC000572261909 823309201 /nfs/dbraw/zinc/30/92/01/823309201.db2.gz LWXQQQFRVWMLDA-UHFFFAOYSA-N 1 0 375.520 4.096 20 0 GIADRO CCn1c(CSc2ccc(C)cc2)nnc1N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000460185115 823309224 /nfs/dbraw/zinc/30/92/24/823309224.db2.gz RWPFARIWSRFAAO-ROUUACIJSA-N 1 0 387.597 4.208 20 0 GIADRO COc1cc(CN(C)C(=O)c2cccc(C[NH+]3CCCC3)c2)ccc1SC ZINC000057551244 823309327 /nfs/dbraw/zinc/30/93/27/823309327.db2.gz ADCUMNGPHDMBNV-UHFFFAOYSA-N 1 0 384.545 4.285 20 0 GIADRO COc1cc(CN(C)C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)ccc1SC ZINC000057551510 823309497 /nfs/dbraw/zinc/30/94/97/823309497.db2.gz LTXCTSPBMBLGKP-LJQANCHMSA-N 1 0 384.545 4.040 20 0 GIADRO COc1ccc2c(C[NH+]3CCC(c4nc5ccccc5o4)CC3)cc(=O)oc2c1 ZINC000057552533 823309514 /nfs/dbraw/zinc/30/95/14/823309514.db2.gz QJDCMGYNLFTWIE-UHFFFAOYSA-N 1 0 390.439 4.322 20 0 GIADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(Cl)cc3F)n2CC)CC1 ZINC000460188404 823310239 /nfs/dbraw/zinc/31/02/39/823310239.db2.gz MCGYSFHFAXZMRT-UHFFFAOYSA-N 1 0 379.911 4.068 20 0 GIADRO COc1cc(C)c(C[N@H+](C)Cc2cccc(SC(=O)N(C)C)c2)cc1OC ZINC000176853856 823310330 /nfs/dbraw/zinc/31/03/30/823310330.db2.gz URLNOBKJYBXHRE-UHFFFAOYSA-N 1 0 388.533 4.418 20 0 GIADRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc2c(c1)nc(C(F)F)n2C ZINC000409800089 823310370 /nfs/dbraw/zinc/31/03/70/823310370.db2.gz SUQNUOSVVAVWNO-HOTGVXAUSA-N 1 0 392.494 4.141 20 0 GIADRO C[C@H](C1CC1)[N@H+](CC(=O)N(Cc1ccco1)CC(F)(F)F)Cc1ccccc1 ZINC000057566861 823310607 /nfs/dbraw/zinc/31/06/07/823310607.db2.gz AVONPTPRSKLUCK-MRXNPFEDSA-N 1 0 394.437 4.471 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)N1CCCC2(CCCCC2)CC1 ZINC000188817382 823312317 /nfs/dbraw/zinc/31/23/17/823312317.db2.gz HHTHBVWIKZTHNS-UHFFFAOYSA-N 1 0 384.568 4.192 20 0 GIADRO Cc1ccc(-c2cnc(C[N@@H+]3CC[C@](CO)(Cc4ccc(F)cc4)C3)o2)cc1 ZINC000572280540 823312677 /nfs/dbraw/zinc/31/26/77/823312677.db2.gz WYTLEELEFCYWTF-QHCPKHFHSA-N 1 0 380.463 4.216 20 0 GIADRO C[C@@H](c1nc(Cc2ccccc2)no1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000122146747 823312779 /nfs/dbraw/zinc/31/27/79/823312779.db2.gz JVJSPTDUMFEFFW-IBGZPJMESA-N 1 0 382.552 4.309 20 0 GIADRO CCOc1ccccc1NC(=O)C[N@H+](Cc1ccc(OC)cc1)[C@@H](C)C1CC1 ZINC000057601423 823313444 /nfs/dbraw/zinc/31/34/44/823313444.db2.gz ZDMHBQSHHGVLMY-KRWDZBQOSA-N 1 0 382.504 4.333 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)CSCc3cccc(C)c3)cc2)CC1 ZINC000011872725 818126452 /nfs/dbraw/zinc/12/64/52/818126452.db2.gz UBBVQEMBBCASIN-UHFFFAOYSA-N 1 0 383.561 4.009 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)C3(c4ccc(Cl)cc4)CC3)cc2)CC1 ZINC000011872746 818126485 /nfs/dbraw/zinc/12/64/85/818126485.db2.gz WXKAVWFKZKKGSN-UHFFFAOYSA-N 1 0 383.923 4.152 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(Cl)nc4ccccc43)cc2)CC1 ZINC000011948124 818131450 /nfs/dbraw/zinc/13/14/50/818131450.db2.gz KCORLGPIWQNWLY-UHFFFAOYSA-N 1 0 394.906 4.282 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4F)o3)cc2)CC1 ZINC000011948570 818132043 /nfs/dbraw/zinc/13/20/43/818132043.db2.gz PLQXEILTJJVZQL-UHFFFAOYSA-N 1 0 393.462 4.480 20 0 GIADRO Cc1c(C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)cnn1C1CCCC1 ZINC000122163552 823315191 /nfs/dbraw/zinc/31/51/91/823315191.db2.gz WQTBLEDLTBHYAX-KRWDZBQOSA-N 1 0 380.536 4.262 20 0 GIADRO Cc1ccc(-n2ncc(C(=O)Nc3cc(C[NH+](C)C)ccn3)c2C(C)C)cc1 ZINC000176899169 823320290 /nfs/dbraw/zinc/32/02/90/823320290.db2.gz LAFCRWMVSHIAAU-UHFFFAOYSA-N 1 0 377.492 4.013 20 0 GIADRO O=C(c1ccc(F)cc1)c1ccccc1C(=O)N1CCC[N@H+](CC2CCC2)CC1 ZINC000572306679 823317536 /nfs/dbraw/zinc/31/75/36/823317536.db2.gz KCGOHPSPUIANAC-UHFFFAOYSA-N 1 0 394.490 4.005 20 0 GIADRO CCOc1cc(C[NH2+][C@H](C)COc2cccc(C)c2)cc(Br)c1O ZINC000572310099 823317808 /nfs/dbraw/zinc/31/78/08/823317808.db2.gz SJACJHPJEFLMIN-CQSZACIVSA-N 1 0 394.309 4.419 20 0 GIADRO O=C(NCc1cc2ccccc2[nH]1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000057644997 823317915 /nfs/dbraw/zinc/31/79/15/823317915.db2.gz OJDVBNCFYNVGKW-UHFFFAOYSA-N 1 0 396.922 4.285 20 0 GIADRO C[C@@H]([NH2+]C(C)(C)CNC(=O)N(C)Cc1ccccc1N(C)C)c1ccccc1 ZINC000460209961 823318082 /nfs/dbraw/zinc/31/80/82/823318082.db2.gz JENPRUHZIXWKSV-GOSISDBHSA-N 1 0 382.552 4.023 20 0 GIADRO O=C(CCc1c2cc(F)ccc2[nH]c1-c1ccccc1)N1CC[NH+]2CCC1CC2 ZINC000188859254 823318104 /nfs/dbraw/zinc/31/81/04/823318104.db2.gz FIJIBEFFTLVDMO-UHFFFAOYSA-N 1 0 391.490 4.213 20 0 GIADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@@H](C)c2ccc(C(F)(F)F)cc2)o1 ZINC000409828602 823318792 /nfs/dbraw/zinc/31/87/92/823318792.db2.gz NMFJQHREVOLYAC-HNNXBMFYSA-N 1 0 382.426 4.301 20 0 GIADRO Cc1nc(-c2ccc(CCNC(=O)c3ccc(C[NH+](C)C)cc3)s2)cs1 ZINC000057675865 823320716 /nfs/dbraw/zinc/32/07/16/823320716.db2.gz URTRDXMMWUVLBX-UHFFFAOYSA-N 1 0 385.558 4.214 20 0 GIADRO C[NH+](C)CCn1ccc2ccc(NS(=O)(=O)c3cccc4ccccc43)cc21 ZINC000013611694 818214052 /nfs/dbraw/zinc/21/40/52/818214052.db2.gz MMVUKQDPMLJEFQ-UHFFFAOYSA-N 1 0 393.512 4.157 20 0 GIADRO COc1cc2ccccc2cc1C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000013755894 818215537 /nfs/dbraw/zinc/21/55/37/818215537.db2.gz SWLJBNUUUMFEOK-UHFFFAOYSA-N 1 0 388.511 4.490 20 0 GIADRO COc1cc(C[N@@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)cc(OC)c1OC ZINC000013993966 818217258 /nfs/dbraw/zinc/21/72/58/818217258.db2.gz UBGZVYXLJAWPOF-LJQANCHMSA-N 1 0 389.467 4.033 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccccc2COc2ccccc2)C1 ZINC000176906599 823321287 /nfs/dbraw/zinc/32/12/87/823321287.db2.gz BBZOTDRJJKLSDB-LJQANCHMSA-N 1 0 381.520 4.461 20 0 GIADRO CC1(C)[C@H]([NH2+]CC(=O)Nc2ccccc2Sc2ccccc2)[C@H]2CCO[C@@H]21 ZINC000572353443 823326090 /nfs/dbraw/zinc/32/60/90/823326090.db2.gz FZJMZEFWHIGYEU-HBGVWJBISA-N 1 0 382.529 4.179 20 0 GIADRO COc1ccc(C[C@](C)(O)C[NH2+][C@H]2CCC[C@@H]2c2ccc(C)cc2)cc1OC ZINC000572327430 823321597 /nfs/dbraw/zinc/32/15/97/823321597.db2.gz IBVZCIPCMDUWOY-DPLHUUCSSA-N 1 0 383.532 4.232 20 0 GIADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CCC(c2ccsc2)CC1 ZINC000188882949 823322468 /nfs/dbraw/zinc/32/24/68/823322468.db2.gz LUYUDTQBXVTFNV-UHFFFAOYSA-N 1 0 375.582 4.434 20 0 GIADRO Cc1ccc(-c2cccnc2)cc1NC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000572335123 823322890 /nfs/dbraw/zinc/32/28/90/823322890.db2.gz MHPJDQLZYARAIX-QFIPXVFZSA-N 1 0 386.499 4.303 20 0 GIADRO Cc1cnc(CC[NH2+][C@H]2CCCc3c4cc(Br)ccc4[nH]c32)cn1 ZINC000572335430 823323288 /nfs/dbraw/zinc/32/32/88/823323288.db2.gz DNWIEPGBFVEQLI-SFHVURJKSA-N 1 0 385.309 4.239 20 0 GIADRO CSc1ccccc1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000409845279 823323694 /nfs/dbraw/zinc/32/36/94/823323694.db2.gz QAPYIPRGWLLZOO-CVEARBPZSA-N 1 0 397.544 4.213 20 0 GIADRO C[C@@H](CNC(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1)[N@H+](C)C1CC1 ZINC000057711670 823323976 /nfs/dbraw/zinc/32/39/76/823323976.db2.gz PGZNCSOPPNWIRV-HNNXBMFYSA-N 1 0 393.462 4.360 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)NCCc1cccc2cccnc21)c1ccsc1 ZINC000057707262 823324039 /nfs/dbraw/zinc/32/40/39/823324039.db2.gz YZWLNOZCIQXWRS-FQEVSTJZSA-N 1 0 396.560 4.221 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)c1cccc(CO)c1 ZINC000122229348 823324716 /nfs/dbraw/zinc/32/47/16/823324716.db2.gz FWJYFZNETDSKJS-WBMJQRKESA-N 1 0 399.844 4.176 20 0 GIADRO 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 ZINC000409848242 823324802 /nfs/dbraw/zinc/32/48/02/823324802.db2.gz ISBKGCOCGYQZGQ-DKPZUSDMSA-N 1 0 378.516 4.458 20 0 GIADRO CCn1c(-c2cccc3ccccc32)nnc1N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460230740 823324803 /nfs/dbraw/zinc/32/48/03/823324803.db2.gz QJZMXVGGMJDEJI-PKOBYXMFSA-N 1 0 375.520 4.181 20 0 GIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cnc(-c3ccccc3)s2)C1 ZINC000409850032 823325434 /nfs/dbraw/zinc/32/54/34/823325434.db2.gz RPXDCHHJRMQPPX-QFBILLFUSA-N 1 0 377.513 4.375 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(C(F)(F)F)ccc2OCC)C1 ZINC000176923429 823325554 /nfs/dbraw/zinc/32/55/54/823325554.db2.gz GGHKVCVIVLCPNQ-AWEZNQCLSA-N 1 0 387.446 4.300 20 0 GIADRO C[C@@H](O)[C@@](C)(C[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)Cc1ccccc1 ZINC000188903739 823325707 /nfs/dbraw/zinc/32/57/07/823325707.db2.gz PIWTZLPDAYOUOR-AGTGTDPFSA-N 1 0 375.553 4.106 20 0 GIADRO CN(C)C(=O)Sc1cccc(C[N@H+](CCCO)[C@H]2CCc3ccccc32)c1 ZINC000176926276 823325751 /nfs/dbraw/zinc/32/57/51/823325751.db2.gz XLONTDJIUKJHTH-NRFANRHFSA-N 1 0 384.545 4.332 20 0 GIADRO CN(C)C(=O)Sc1cccc(C[N@H+](CCCO)[C@@H]2CCc3ccccc32)c1 ZINC000176926260 823325828 /nfs/dbraw/zinc/32/58/28/823325828.db2.gz XLONTDJIUKJHTH-OAQYLSRUSA-N 1 0 384.545 4.332 20 0 GIADRO C[NH+](C)[C@H](CNC(=S)Nc1cc(Cl)cc(Cl)c1)Cc1ccccc1 ZINC000015152139 818295827 /nfs/dbraw/zinc/29/58/27/818295827.db2.gz CSPMIIPOUQMCFJ-KRWDZBQOSA-N 1 0 382.360 4.453 20 0 GIADRO CCC[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCCCO2 ZINC000015184006 818297895 /nfs/dbraw/zinc/29/78/95/818297895.db2.gz XQDSPMZVILPTCO-UHFFFAOYSA-N 1 0 377.488 4.259 20 0 GIADRO CCN(CCC[NH+](C)C)C(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000188944375 823331748 /nfs/dbraw/zinc/33/17/48/823331748.db2.gz CMTCMYPFHQMARQ-UHFFFAOYSA-N 1 0 375.463 4.037 20 0 GIADRO COc1ccc(C(=O)C(C(=S)Nc2ccc(F)cc2)[n+]2cccc(C)c2)cc1 ZINC000015244663 818302255 /nfs/dbraw/zinc/30/22/55/818302255.db2.gz JJLYQHJCBSLUJP-UHFFFAOYSA-O 1 0 395.479 4.481 20 0 GIADRO O=C(c1ccccc1)C(C(=S)Nc1ccccc1Cl)[n+]1cccc(CO)c1 ZINC000015244707 818302421 /nfs/dbraw/zinc/30/24/21/818302421.db2.gz RQWOPCZAXVRWAC-UHFFFAOYSA-O 1 0 397.907 4.171 20 0 GIADRO Cc1cc(C)c(N2CC[C@H]([NH2+]Cc3cccc(OCCCC#N)c3)C2=O)c(C)c1 ZINC000188944971 823331783 /nfs/dbraw/zinc/33/17/83/823331783.db2.gz QMEXAUVCCVDEQL-QFIPXVFZSA-N 1 0 391.515 4.190 20 0 GIADRO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000122256434 823328303 /nfs/dbraw/zinc/32/83/03/823328303.db2.gz KOPPSSKRXZHBCO-IFXJQAMLSA-N 1 0 395.471 4.117 20 0 GIADRO C[C@H](NC(=O)NC[C@@H](c1ccccc1)C(F)(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000188919656 823328508 /nfs/dbraw/zinc/32/85/08/823328508.db2.gz VJYSFWSJADJLSX-WDYCEAGBSA-N 1 0 397.485 4.285 20 0 GIADRO OCC1([C@@H]([NH2+]Cc2csc(Br)c2)c2ccccc2)CCOCC1 ZINC000412012349 823622690 /nfs/dbraw/zinc/62/26/90/823622690.db2.gz XHIXIELWVQQLEZ-KRWDZBQOSA-N 1 0 396.350 4.131 20 0 GIADRO COc1ccc(NC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)cc1F ZINC000057754758 823328908 /nfs/dbraw/zinc/32/89/08/823328908.db2.gz WNOXBRDNORYTFS-UHFFFAOYSA-N 1 0 393.462 4.337 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1cc(C)ccc1OC ZINC000015499752 818330685 /nfs/dbraw/zinc/33/06/85/818330685.db2.gz JYUTXTDLGONSSF-ZIAGYGMSSA-N 1 0 376.884 4.343 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)Nc1ccc(OC(C)C)cc1)[NH+]1CCCC1 ZINC000057759646 823329420 /nfs/dbraw/zinc/32/94/20/823329420.db2.gz DTJQSZMCGJVXDC-OAQYLSRUSA-N 1 0 397.519 4.441 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccccc1Br ZINC000015636263 818351650 /nfs/dbraw/zinc/35/16/50/818351650.db2.gz UXCDFSATTKHLBN-UHFFFAOYSA-N 1 0 375.310 4.221 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)COc1cccc2ccccc21 ZINC000015636319 818351790 /nfs/dbraw/zinc/35/17/90/818351790.db2.gz GYVKAOGCYFXGNZ-UHFFFAOYSA-N 1 0 376.500 4.377 20 0 GIADRO CC(C)(C)C(=O)N1CCC([NH2+][C@H]2CCN(c3ccc(Cl)cc3Cl)C2)CC1 ZINC000188935307 823330509 /nfs/dbraw/zinc/33/05/09/823330509.db2.gz DJSAOLCTHWOWCM-INIZCTEOSA-N 1 0 398.378 4.199 20 0 GIADRO Cc1cc(Br)cc(C)c1NC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000057774257 823330974 /nfs/dbraw/zinc/33/09/74/823330974.db2.gz ZCEXRKNBJPPNJI-QGZVFWFLSA-N 1 0 390.325 4.490 20 0 GIADRO CC(C)C[NH+]1CCC(NC(=O)C2(c3cc(F)cc(C(F)(F)F)c3)CC2)CC1 ZINC000188939542 823331257 /nfs/dbraw/zinc/33/12/57/823331257.db2.gz VLYKUWLENJIHDJ-UHFFFAOYSA-N 1 0 386.433 4.113 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C)c(OCc3cccnc3)c(C)c2)[C@H](C)C1 ZINC000122275321 823331348 /nfs/dbraw/zinc/33/13/48/823331348.db2.gz QADKETPTBUUIEN-KNQAVFIVSA-N 1 0 395.547 4.080 20 0 GIADRO CC[C@@H](C)c1nnc(N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)n1CC ZINC000460253470 823331554 /nfs/dbraw/zinc/33/15/54/823331554.db2.gz SPRMAQNIZXXFJQ-XXBNENTESA-N 1 0 381.568 4.304 20 0 GIADRO COC[C@H]([NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1)c1cccc(Cl)c1 ZINC000572387992 823331587 /nfs/dbraw/zinc/33/15/87/823331587.db2.gz FGCXZBUQWKIKGL-NRFANRHFSA-N 1 0 386.923 4.443 20 0 GIADRO CC(C)(C)c1cnc(C[NH2+]C[C@@H](CO)Cc2ccccc2Br)s1 ZINC000572391464 823331669 /nfs/dbraw/zinc/33/16/69/823331669.db2.gz MWMHPASIPKYINY-ZDUSSCGKSA-N 1 0 397.382 4.144 20 0 GIADRO O=C(Nc1nnc(-c2ccsc2)s1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000057786675 823332555 /nfs/dbraw/zinc/33/25/55/823332555.db2.gz BOADDTIUHGDLRX-INIZCTEOSA-N 1 0 399.545 4.053 20 0 GIADRO Cc1cccc(NC(=O)N(CC[NH+](C)C)Cc2cccc(C(F)(F)F)c2)n1 ZINC000122289282 823333021 /nfs/dbraw/zinc/33/30/21/823333021.db2.gz WBKYQMPNCZMQQS-UHFFFAOYSA-N 1 0 380.414 4.005 20 0 GIADRO CC(C)Oc1ccc([C@@H](C[NH2+]Cc2cncc(Br)c2)N(C)C)cc1 ZINC000572399338 823333002 /nfs/dbraw/zinc/33/30/02/823333002.db2.gz FDOSHAUAZNORKJ-LJQANCHMSA-N 1 0 392.341 4.024 20 0 GIADRO CC[NH2+]CCCNC(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1 ZINC000572404584 823333418 /nfs/dbraw/zinc/33/34/18/823333418.db2.gz PHXUWELFEUHSPB-UHFFFAOYSA-N 1 0 385.558 4.197 20 0 GIADRO O=C(CCSc1ccccc1F)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000057791365 823333472 /nfs/dbraw/zinc/33/34/72/823333472.db2.gz ADKWXDOQGWBTMT-MRXNPFEDSA-N 1 0 378.538 4.323 20 0 GIADRO CSc1ccccc1[C@@H](C)[NH2+][C@@H](C)C(=O)NC(=O)Nc1ccc(C)cc1C ZINC000409877828 823333594 /nfs/dbraw/zinc/33/35/94/823333594.db2.gz NNXWKKLXMABZSR-CVEARBPZSA-N 1 0 385.533 4.413 20 0 GIADRO COc1cc2c(cc1OC)[C@H](c1cccs1)[N@H+](CC1CCC(=O)CC1)CC2 ZINC000572406406 823333698 /nfs/dbraw/zinc/33/36/98/823333698.db2.gz DKNCFKZNGGEKNT-JOCHJYFZSA-N 1 0 385.529 4.472 20 0 GIADRO CSc1ccccc1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000409878701 823333794 /nfs/dbraw/zinc/33/37/94/823333794.db2.gz WXFWRURHYHYZTF-CVEARBPZSA-N 1 0 397.544 4.213 20 0 GIADRO C[C@H]1OCC[C@]1(O)C[N@H+](Cc1ccccc1)Cc1cccc(-c2ccncc2)c1 ZINC000572409370 823334130 /nfs/dbraw/zinc/33/41/30/823334130.db2.gz KRJGCRMMSQWLTA-NLFFAJNJSA-N 1 0 388.511 4.291 20 0 GIADRO C[C@H]1OCC[C@@]1(O)C[N@H+](Cc1ccccc1)Cc1cccc(-c2ccncc2)c1 ZINC000572409367 823334205 /nfs/dbraw/zinc/33/42/05/823334205.db2.gz KRJGCRMMSQWLTA-CJFMBICVSA-N 1 0 388.511 4.291 20 0 GIADRO Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000188962684 823334593 /nfs/dbraw/zinc/33/45/93/823334593.db2.gz KMEQMWHTDPZHTR-CVEARBPZSA-N 1 0 395.425 4.271 20 0 GIADRO C[NH+](C)[C@H](CNC(=S)Nc1cccc(C(F)(F)F)c1)c1cccc(F)c1 ZINC000016242587 818409761 /nfs/dbraw/zinc/40/97/61/818409761.db2.gz YLMVNHJFKXKSSW-MRXNPFEDSA-N 1 0 385.430 4.434 20 0 GIADRO COc1cccc([C@@H](CNC(=S)Nc2ccc(C)c(C)c2)[NH+]2CCCC2)c1 ZINC000016244948 818410290 /nfs/dbraw/zinc/41/02/90/818410290.db2.gz QIFNFUOIVJGDPM-OAQYLSRUSA-N 1 0 383.561 4.436 20 0 GIADRO CCc1ccc(NC(=S)NC[C@@H](c2cccc(OC)c2)[NH+]2CCCC2)cc1 ZINC000016244991 818410977 /nfs/dbraw/zinc/41/09/77/818410977.db2.gz UQTLENKLHYWQSL-NRFANRHFSA-N 1 0 383.561 4.381 20 0 GIADRO CC(C)[C@H]([NH2+][C@@H](C)CCCOc1ccccc1C(N)=O)c1nc2ccccc2[nH]1 ZINC000122306826 823335562 /nfs/dbraw/zinc/33/55/62/823335562.db2.gz SPRCCLHUOFOTAP-KKSFZXQISA-N 1 0 394.519 4.196 20 0 GIADRO COc1ccc2cc(C[N@H+](C)CCC(=O)NC(=O)Nc3ccccc3)ccc2c1 ZINC000016354151 818428427 /nfs/dbraw/zinc/42/84/27/818428427.db2.gz WUCKNBCVBPFQHA-UHFFFAOYSA-N 1 0 391.471 4.019 20 0 GIADRO CCCC[N@H+](C)CC(=O)Nc1ccc(C(=O)Nc2ccc(OCC)cc2)cc1 ZINC000016476627 818447602 /nfs/dbraw/zinc/44/76/02/818447602.db2.gz YJMKUUYOPSDVFE-UHFFFAOYSA-N 1 0 383.492 4.008 20 0 GIADRO CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)c2cc(Cl)c(OC)cc2OC)[C@H](C)C1 ZINC000122326738 823338480 /nfs/dbraw/zinc/33/84/80/823338480.db2.gz BZBQYDGUWPYDFP-GJYPPUQNSA-N 1 0 398.975 4.145 20 0 GIADRO C[C@H](C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000409898751 823339213 /nfs/dbraw/zinc/33/92/13/823339213.db2.gz RIKFBIKUKZFLLJ-HNNXBMFYSA-N 1 0 391.437 4.237 20 0 GIADRO COCCOc1ccc([C@@H](C)[NH2+]C2CCN(c3ccc(N(C)C)cc3)CC2)cc1 ZINC000122332168 823339352 /nfs/dbraw/zinc/33/93/52/823339352.db2.gz XLIUKXFHNHWMCI-LJQANCHMSA-N 1 0 397.563 4.097 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc(Br)cc1F ZINC000016784199 818478272 /nfs/dbraw/zinc/47/82/72/818478272.db2.gz JENLGYMDUNQRTN-UHFFFAOYSA-N 1 0 393.300 4.360 20 0 GIADRO Clc1ccc2ncc(CN3CC[C@@]4(CC[N@H+](Cc5ccccc5)C4)C3)n2c1 ZINC000572444737 823340273 /nfs/dbraw/zinc/34/02/73/823340273.db2.gz CSXNREYCJUYSLD-JOCHJYFZSA-N 1 0 380.923 4.086 20 0 GIADRO C[NH+](C)[C@H](CNC(=S)Nc1cccc(Br)c1)c1cccc(F)c1 ZINC000016943922 818490153 /nfs/dbraw/zinc/49/01/53/818490153.db2.gz GZWYRXIAQQYHOA-MRXNPFEDSA-N 1 0 396.329 4.178 20 0 GIADRO C[N@@H+](Cc1ccccc1)CC1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000057843699 823340613 /nfs/dbraw/zinc/34/06/13/823340613.db2.gz KRHYLJNKOZKJAQ-UHFFFAOYSA-N 1 0 385.939 4.123 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)c1ccc(-c2ccccc2Br)s1 ZINC000189006571 823341232 /nfs/dbraw/zinc/34/12/32/823341232.db2.gz UBJSBTMWKVJZKW-NEPJUHHUSA-N 1 0 381.339 4.305 20 0 GIADRO COc1ccc(CC[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)cc1 ZINC000017310425 818507854 /nfs/dbraw/zinc/50/78/54/818507854.db2.gz LMVMZGNGYGAQNB-UHFFFAOYSA-N 1 0 398.510 4.334 20 0 GIADRO CCn1c(-c2cc(Cl)ccc2Cl)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460288690 823341349 /nfs/dbraw/zinc/34/13/49/823341349.db2.gz KFFTWRPMPQGEJD-ZFWWWQNUSA-N 1 0 394.350 4.335 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=S)Nc1ccc(F)cc1F)c1cccc(OC)c1 ZINC000017516640 818517927 /nfs/dbraw/zinc/51/79/27/818517927.db2.gz FZQOQCRBHZFYMS-IBGZPJMESA-N 1 0 393.503 4.343 20 0 GIADRO Cc1cc(NCC2CC[NH+](Cc3cccs3)CC2)nc(-c2ccncc2)n1 ZINC000057854702 823341888 /nfs/dbraw/zinc/34/18/88/823341888.db2.gz BQJYOGUHUYYFNT-UHFFFAOYSA-N 1 0 379.533 4.233 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)Nc2ccc3c(c2)OC(C)(C)O3)C1 ZINC000057856785 823342344 /nfs/dbraw/zinc/34/23/44/823342344.db2.gz SOYRIPRXJHEPQD-IYBDPMFKSA-N 1 0 375.513 4.074 20 0 GIADRO COc1ccc([C@@H](CNC(=O)Cc2ccc3ccccc3c2)[NH+]2CCCC2)cc1 ZINC000017911446 818532813 /nfs/dbraw/zinc/53/28/13/818532813.db2.gz QWRFJJYXCFRIHA-XMMPIXPASA-N 1 0 388.511 4.344 20 0 GIADRO Cc1ccn2ncc(C(=O)Nc3cc(Cl)ccc3OC3CC[NH+](C)CC3)c2c1 ZINC000572458551 823343787 /nfs/dbraw/zinc/34/37/87/823343787.db2.gz VMZZUFUCKVIWKU-UHFFFAOYSA-N 1 0 398.894 4.021 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@H]2CCCc3c(O)cccc32)CC1 ZINC000189026448 823344006 /nfs/dbraw/zinc/34/40/06/823344006.db2.gz XEOQPTSUNROPCE-JTSKRJEESA-N 1 0 393.531 4.294 20 0 GIADRO Cc1oc(-c2ccccc2F)nc1C(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000122401669 823349301 /nfs/dbraw/zinc/34/93/01/823349301.db2.gz HRJZSNDYZLVKIN-QGZVFWFLSA-N 1 0 380.419 4.220 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccc(OC(F)(F)F)cc1 ZINC000018163891 818553186 /nfs/dbraw/zinc/55/31/86/818553186.db2.gz CNRPUZOGQTUXHP-ZDUSSCGKSA-N 1 0 375.460 4.136 20 0 GIADRO Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000122372958 823345518 /nfs/dbraw/zinc/34/55/18/823345518.db2.gz MUSGQZFFPTXGIG-QHCPKHFHSA-N 1 0 387.527 4.209 20 0 GIADRO C[NH+]1CCN(c2ccc(NC(=O)CSc3ccc4ccccc4c3)cc2)CC1 ZINC000018230925 818558405 /nfs/dbraw/zinc/55/84/05/818558405.db2.gz VSXNNOBGSYYDLJ-UHFFFAOYSA-N 1 0 391.540 4.322 20 0 GIADRO CC(C)(O)C[N@@H+]1CCc2c(cccc2NC(=O)c2cccc(C3CCC3)c2)C1 ZINC000409930330 823345985 /nfs/dbraw/zinc/34/59/85/823345985.db2.gz GXEFPOFRRRLXPW-UHFFFAOYSA-N 1 0 378.516 4.335 20 0 GIADRO Cc1noc(C)c1CO[C@H]1CC[N@H+](Cc2cnc(-c3ccccc3F)s2)C1 ZINC000572471588 823346021 /nfs/dbraw/zinc/34/60/21/823346021.db2.gz SJQARFTZLBTXFX-HNNXBMFYSA-N 1 0 387.480 4.345 20 0 GIADRO CO[C@H]1CCN(C(=O)c2cccc(CSc3ccc(C)cc3C)c2)[C@@H](C[NH3+])C1 ZINC000572475192 823346447 /nfs/dbraw/zinc/34/64/47/823346447.db2.gz ZQCPADAMVQQISA-RTWAWAEBSA-N 1 0 398.572 4.174 20 0 GIADRO C[C@H]1CN(c2ccc(C[NH2+]Cc3cc(Cl)cc(C(F)(F)F)c3)cn2)CCO1 ZINC000189044352 823347269 /nfs/dbraw/zinc/34/72/69/823347269.db2.gz WAJGYJKYXOFEPI-ZDUSSCGKSA-N 1 0 399.844 4.269 20 0 GIADRO C[C@@H](c1cccc(NC(=O)CC[C@H]([NH3+])CC2CCCCC2)c1)N1CCOCC1 ZINC000572479754 823347306 /nfs/dbraw/zinc/34/73/06/823347306.db2.gz IDRPIBKFSVHGDM-RXVVDRJESA-N 1 0 387.568 4.096 20 0 GIADRO Cc1cccc(NC(=O)[C@H](C)Nc2ccc(CC[NH+]3CCSCC3)cc2)c1C ZINC000057932996 823348795 /nfs/dbraw/zinc/34/87/95/823348795.db2.gz VEWCGVDHBVOEND-IBGZPJMESA-N 1 0 397.588 4.334 20 0 GIADRO Cc1cccc(NC(=O)[C@@H](C)Nc2ccc(CC[NH+]3CCSCC3)cc2)c1C ZINC000057932991 823348883 /nfs/dbraw/zinc/34/88/83/823348883.db2.gz VEWCGVDHBVOEND-LJQANCHMSA-N 1 0 397.588 4.334 20 0 GIADRO Nc1ccc(F)c(NC(=O)CC[N@H+]2CC=C(c3c[nH]c4cc(F)ccc43)CC2)c1 ZINC000177010750 823348977 /nfs/dbraw/zinc/34/89/77/823348977.db2.gz LBCDMMSHUVENNS-UHFFFAOYSA-N 1 0 396.441 4.146 20 0 GIADRO COc1cc(C[NH2+]C2CCN(CC(F)F)CC2)ccc1OCc1cccs1 ZINC000057979063 823352544 /nfs/dbraw/zinc/35/25/44/823352544.db2.gz VHEWTKAFEQBHMT-UHFFFAOYSA-N 1 0 396.503 4.155 20 0 GIADRO Nc1ccc(F)c(NC(=O)CC[N@H+](CCc2ccc(F)cc2)C2CCCC2)c1 ZINC000177027715 823353101 /nfs/dbraw/zinc/35/31/01/823353101.db2.gz NMHLAHJTFSOOHB-UHFFFAOYSA-N 1 0 387.474 4.363 20 0 GIADRO Cn1c(C[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)nc2cc(Cl)ccc21 ZINC000122432540 823353195 /nfs/dbraw/zinc/35/31/95/823353195.db2.gz CSRAPJULCSFYRA-INIZCTEOSA-N 1 0 383.801 4.069 20 0 GIADRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)CCC(=O)c1ccc(F)cc1 ZINC000122434389 823353491 /nfs/dbraw/zinc/35/34/91/823353491.db2.gz XULCQXDLUWCURU-ROUUACIJSA-N 1 0 396.506 4.061 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)N1CCC[C@H]1CC1CCCCC1 ZINC000057991841 823353525 /nfs/dbraw/zinc/35/35/25/823353525.db2.gz UPSVPHZLWJJTQB-QFIPXVFZSA-N 1 0 384.568 4.190 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)N1CCC[C@H]1CC1CCCCC1 ZINC000057992361 823353841 /nfs/dbraw/zinc/35/38/41/823353841.db2.gz NNIYLAQUSLVHQJ-QFIPXVFZSA-N 1 0 384.568 4.190 20 0 GIADRO Fc1ccc(Cn2cc(C[NH2+]C[C@H]3CCCO[C@@H]3c3ccccc3)cn2)cc1 ZINC000189080723 823353984 /nfs/dbraw/zinc/35/39/84/823353984.db2.gz HBHCMUZPNWOVNL-FYYLOGMGSA-N 1 0 379.479 4.328 20 0 GIADRO C[NH+](C)Cc1ccsc1C(=O)NCc1cc(Cl)ccc1Br ZINC000572526217 823354169 /nfs/dbraw/zinc/35/41/69/823354169.db2.gz AEXLVFRTWFMUDR-UHFFFAOYSA-N 1 0 387.730 4.156 20 0 GIADRO CCc1ccc(C[NH+]2CCC3(C[C@@H]3N(Cc3ccsc3)C(C)=O)CC2)cn1 ZINC000572526918 823354574 /nfs/dbraw/zinc/35/45/74/823354574.db2.gz NZTFMDAEFUJEHH-NRFANRHFSA-N 1 0 383.561 4.109 20 0 GIADRO CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@@H](C)N2CCc3sccc3C2)cc1 ZINC000409945998 823350288 /nfs/dbraw/zinc/35/02/88/823350288.db2.gz HKLVKKNNJLBOHJ-GOSISDBHSA-N 1 0 399.604 4.157 20 0 GIADRO C[NH+](C)Cc1ccc(-c2ccccc2CN[C@H](c2ncc[nH]2)c2ccncc2)cc1 ZINC000189059343 823350376 /nfs/dbraw/zinc/35/03/76/823350376.db2.gz OWSNCGUSJASKAV-DEOSSOPVSA-N 1 0 397.526 4.413 20 0 GIADRO Cc1ccccc1NC(=O)[C@@H](C)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000057958362 823350505 /nfs/dbraw/zinc/35/05/05/823350505.db2.gz MQZFAJGSNALZPN-GOSISDBHSA-N 1 0 383.561 4.025 20 0 GIADRO Fc1cccc(-c2cnc(CN3C[C@@H]4C[N@@H+](Cc5ccccc5)CC[C@@H]4C3)o2)c1 ZINC000572530175 823355090 /nfs/dbraw/zinc/35/50/90/823355090.db2.gz MBCHVLSVJXXOIO-RTWAWAEBSA-N 1 0 391.490 4.435 20 0 GIADRO Fc1ccc([C@H](C[C@@H]2CCCO2)[NH2+]Cc2cccc(Cn3ccnc3)c2)cc1 ZINC000572532681 823355727 /nfs/dbraw/zinc/35/57/27/823355727.db2.gz ZXVZOEPKIAUCEZ-GOTSBHOMSA-N 1 0 379.479 4.471 20 0 GIADRO Cc1cc(C)n(-c2ccccc2NC(=O)NCCC[N@@H+](C)C2CCCCC2)n1 ZINC000058025874 823355722 /nfs/dbraw/zinc/35/57/22/823355722.db2.gz AZBKTFJJJXBNAM-UHFFFAOYSA-N 1 0 383.540 4.265 20 0 GIADRO O=C(Nc1nnc(Cc2ccccc2)s1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000021565225 818705673 /nfs/dbraw/zinc/70/56/73/818705673.db2.gz QYXFEBLVTYFRKR-UHFFFAOYSA-N 1 0 392.528 4.367 20 0 GIADRO Cc1ccc(C[N@@H+](CCc2ccccc2)CC(=O)Nc2c(C)nn(C)c2C)s1 ZINC000058068394 823359184 /nfs/dbraw/zinc/35/91/84/823359184.db2.gz CBVLCWAPGQSEMC-UHFFFAOYSA-N 1 0 396.560 4.090 20 0 GIADRO CC[N@@H+]1CCC[C@@H](CNC(=O)CSc2cccc3cccc(Cl)c32)C1 ZINC000409974008 823359291 /nfs/dbraw/zinc/35/92/91/823359291.db2.gz MTSIGAPROUZBOE-HNNXBMFYSA-N 1 0 376.953 4.433 20 0 GIADRO C[C@@H]([NH2+]C(c1ccccc1)c1ccccc1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000021819823 818739564 /nfs/dbraw/zinc/73/95/64/818739564.db2.gz JCTRYFKGURJTDE-QGZVFWFLSA-N 1 0 388.467 4.164 20 0 GIADRO C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000572563076 823361618 /nfs/dbraw/zinc/36/16/18/823361618.db2.gz OFNPHZSMWYVGJL-GOEBONIOSA-N 1 0 377.410 4.307 20 0 GIADRO CCCC[C@H](C)N(C)C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000460345700 823359740 /nfs/dbraw/zinc/35/97/40/823359740.db2.gz HIILQSAKYJBFRZ-ZWKOTPCHSA-N 1 0 392.563 4.249 20 0 GIADRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCC(=O)Nc1ccc(Cl)cc1 ZINC000460346085 823359961 /nfs/dbraw/zinc/35/99/61/823359961.db2.gz FNWSUYYFUSIJGD-YPGOJHLTSA-N 1 0 385.939 4.025 20 0 GIADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(C)(C)c2csc(-c3cccs3)n2)C1 ZINC000409977796 823360481 /nfs/dbraw/zinc/36/04/81/823360481.db2.gz GSKWZETYMFRSBS-HUUCEWRRSA-N 1 0 389.590 4.092 20 0 GIADRO CC(C)[C@@H](C(=O)N1CCC(OCCC[NH+](C)C)CC1)c1cccc(Cl)c1 ZINC000177065246 823362983 /nfs/dbraw/zinc/36/29/83/823362983.db2.gz BBQUQIRDBRRGFF-HXUWFJFHSA-N 1 0 380.960 4.039 20 0 GIADRO CN(C(=O)C[NH+]1CCC([C@H]2CCCO2)CC1)C(c1ccccc1)c1ccccc1 ZINC000189156539 823367036 /nfs/dbraw/zinc/36/70/36/823367036.db2.gz OONGGQIXRVVLRR-HSZRJFAPSA-N 1 0 392.543 4.125 20 0 GIADRO C[NH+](C)CCCOC1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)CC1 ZINC000177083070 823367008 /nfs/dbraw/zinc/36/70/08/823367008.db2.gz HJRCIASQMGIYOV-UHFFFAOYSA-N 1 0 392.971 4.111 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2oc3ccc(Br)cc3c2C)[C@H](C)C1 ZINC000122497836 823363367 /nfs/dbraw/zinc/36/33/67/823363367.db2.gz GPLYLAGKPAAUNP-MLGOLLRUSA-N 1 0 393.325 4.306 20 0 GIADRO C[NH+](C)Cc1ccccc1CNC(=O)CCc1ncc(-c2ccccc2Cl)o1 ZINC000022276569 818788217 /nfs/dbraw/zinc/78/82/17/818788217.db2.gz PIFHMVZHETVNHI-UHFFFAOYSA-N 1 0 397.906 4.306 20 0 GIADRO CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@H]1CCOC2(CCCCC2)C1 ZINC000460361885 823363707 /nfs/dbraw/zinc/36/37/07/823363707.db2.gz XAELIBVPVSJUMD-FQEVSTJZSA-N 1 0 379.589 4.166 20 0 GIADRO CC[C@H](NC(=O)NCc1ccccc1C[NH+]1CCCC1)c1ccc(OC)cc1 ZINC000022419756 818803844 /nfs/dbraw/zinc/80/38/44/818803844.db2.gz QMJKTVITWWJMCT-QFIPXVFZSA-N 1 0 381.520 4.242 20 0 GIADRO CC[N@@H+]1C[C@@H](C)N(C(=O)C(C)(C)c2csc(-c3cccs3)n2)C[C@H]1C ZINC000409991637 823364768 /nfs/dbraw/zinc/36/47/68/823364768.db2.gz JKPCPCHYFXERLO-ZIAGYGMSSA-N 1 0 377.579 4.090 20 0 GIADRO COc1ccc(CN(C)C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000022429126 818806041 /nfs/dbraw/zinc/80/60/41/818806041.db2.gz HXDZWISEQAWTNL-UHFFFAOYSA-N 1 0 381.520 4.023 20 0 GIADRO CCCOc1ccc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1OCC ZINC000022463063 818810514 /nfs/dbraw/zinc/81/05/14/818810514.db2.gz LOCWTWZQIAAUGA-OAQYLSRUSA-N 1 0 396.531 4.441 20 0 GIADRO Cc1ccc(-c2ccsc2C(=O)N2CCC(OCCC[NH+](C)C)CC2)cc1 ZINC000177082437 823366792 /nfs/dbraw/zinc/36/67/92/823366792.db2.gz PKNFFWKYNGSDLW-UHFFFAOYSA-N 1 0 386.561 4.296 20 0 GIADRO C[C@H]1C[C@H](NC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)C[N@@H+]1C1CC1 ZINC000177085487 823367635 /nfs/dbraw/zinc/36/76/35/823367635.db2.gz YLUAQUOGAUHMAU-WMZOPIPTSA-N 1 0 387.483 4.364 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)c2cc(O)ccc2C(F)(F)F)c1 ZINC000189159150 823367672 /nfs/dbraw/zinc/36/76/72/823367672.db2.gz DIKFNWOVQLKRDG-UHFFFAOYSA-N 1 0 380.410 4.183 20 0 GIADRO CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CCC(F)(F)[C@H](C)C2)c1 ZINC000460372727 823367729 /nfs/dbraw/zinc/36/77/29/823367729.db2.gz ILGAZFMZQMGDHN-QGZVFWFLSA-N 1 0 381.511 4.495 20 0 GIADRO COc1ccc([C@@H](CNC(=O)[C@@H](C)Oc2ccc(C)cc2)[NH+]2CCCCC2)cc1 ZINC000022685505 818843756 /nfs/dbraw/zinc/84/37/56/818843756.db2.gz DGAUWPDXXBXYBI-AUSIDOKSSA-N 1 0 396.531 4.114 20 0 GIADRO CC(C)C[C@@H]([NH3+])c1noc(Cc2ccc(OCCOc3ccccc3)cc2)n1 ZINC000572601318 823367844 /nfs/dbraw/zinc/36/78/44/823367844.db2.gz FRJFYNFBIMLPGD-HXUWFJFHSA-N 1 0 381.476 4.164 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)CCn1ccc2ccccc21)c1cccc(OC)c1 ZINC000022700944 818848085 /nfs/dbraw/zinc/84/80/85/818848085.db2.gz HYNCXCQQJXPEJW-QHCPKHFHSA-N 1 0 393.531 4.239 20 0 GIADRO CC[C@H]([NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1)c1nc(C)cs1 ZINC000189162459 823368204 /nfs/dbraw/zinc/36/82/04/823368204.db2.gz PJRFIZGSQXUFHE-JMLCCBQJSA-N 1 0 383.517 4.100 20 0 GIADRO CCOc1ccc(O)c(/C=N/C[C@@H](c2ccc(OC)cc2)[NH+]2CCCCC2)c1 ZINC000022729154 818851314 /nfs/dbraw/zinc/85/13/14/818851314.db2.gz YFUVFAGPHWFCNR-OLCUMFGGSA-N 1 0 382.504 4.446 20 0 GIADRO Cc1cccc([C@@H](NC(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)C(C)(C)C)c1 ZINC000177088599 823368405 /nfs/dbraw/zinc/36/84/05/823368405.db2.gz UKNDLELGHNCTRT-HXUWFJFHSA-N 1 0 396.535 4.064 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1cccc(OC[C@H]2CCCO2)c1)c1ccccc1 ZINC000022753023 818855778 /nfs/dbraw/zinc/85/57/78/818855778.db2.gz SCEIROFJOUWAJO-DHIUTWEWSA-N 1 0 396.531 4.057 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1occc1COc1ccccc1)c1cccc(F)c1 ZINC000022767005 818858308 /nfs/dbraw/zinc/85/83/08/818858308.db2.gz RMZFNGZYFOQUJE-FQEVSTJZSA-N 1 0 382.435 4.030 20 0 GIADRO CCCNC(=S)C(C(=O)c1ccc(F)c(F)c1)[n+]1ccc(CCC)cc1 ZINC000022804606 818862539 /nfs/dbraw/zinc/86/25/39/818862539.db2.gz YOKJROAELUQAIF-UHFFFAOYSA-O 1 0 377.480 4.143 20 0 GIADRO c1cncc(-c2nc3sc4c(c3c(NCC[NH+]3CCCC3)n2)CCCC4)c1 ZINC000022815063 818863683 /nfs/dbraw/zinc/86/36/83/818863683.db2.gz NDEHRKOUGQUGQY-UHFFFAOYSA-N 1 0 379.533 4.140 20 0 GIADRO C[C@@H]1CN(C(C)(C)C[NH2+]Cc2csc(-c3ccc(Cl)cc3)n2)C[C@@H](C)O1 ZINC000022819416 818864256 /nfs/dbraw/zinc/86/42/56/818864256.db2.gz HTERLZWQKOEHPF-HUUCEWRRSA-N 1 0 393.984 4.441 20 0 GIADRO Cc1cccc(Cl)c1NC(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000572613173 823369308 /nfs/dbraw/zinc/36/93/08/823369308.db2.gz FMEWVIIMKUNJGT-DOTOQJQBSA-N 1 0 375.875 4.302 20 0 GIADRO C[NH+](C)CCCOC1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000177107239 823373274 /nfs/dbraw/zinc/37/32/74/823373274.db2.gz HOXQICCDNLYMSR-ZWKOTPCHSA-N 1 0 399.362 4.056 20 0 GIADRO C[C@H]([NH2+]C1CCN([C@@H](C)c2ccncc2)CC1)c1cncc(Br)c1 ZINC000572617810 823369928 /nfs/dbraw/zinc/36/99/28/823369928.db2.gz IRYNDTWAOZVRFT-GJZGRUSLSA-N 1 0 389.341 4.115 20 0 GIADRO COc1ccc(C[NH2+]Cc2cn(-c3ccc(C)cc3)nc2C(C)(C)C)cc1O ZINC000177094442 823370067 /nfs/dbraw/zinc/37/00/67/823370067.db2.gz RFLSXESRJXOXBI-UHFFFAOYSA-N 1 0 379.504 4.482 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(C)cc2-c2nc(C3CC3)no2)C1 ZINC000177095040 823370234 /nfs/dbraw/zinc/37/02/34/823370234.db2.gz SYZFWTAGEPMQLD-MRXNPFEDSA-N 1 0 397.523 4.118 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)c1 ZINC000177100279 823370961 /nfs/dbraw/zinc/37/09/61/823370961.db2.gz BAABLLOSHAJYTC-IBGZPJMESA-N 1 0 395.330 4.185 20 0 GIADRO CCOc1ccc2c(c1)CN(C(=O)NC1CC[NH+](CC3CCCCC3)CC1)CC2 ZINC000058240863 823371228 /nfs/dbraw/zinc/37/12/28/823371228.db2.gz IAQXRSHCEGYQOR-UHFFFAOYSA-N 1 0 399.579 4.198 20 0 GIADRO CC1CC[NH+](Cc2ccc(CNC(=O)CCC(=O)c3cccs3)cc2)CC1 ZINC000023057095 818894112 /nfs/dbraw/zinc/89/41/12/818894112.db2.gz IYOZSEGWVFZRPB-UHFFFAOYSA-N 1 0 384.545 4.259 20 0 GIADRO Cc1ncc(C[NH2+]C[C@@H](O)CO[C@H](c2ccccc2)c2ccc(C)cc2)s1 ZINC000572631992 823371797 /nfs/dbraw/zinc/37/17/97/823371797.db2.gz ODFNNSAFYFZIQK-IFMALSPDSA-N 1 0 382.529 4.017 20 0 GIADRO CC(C)[NH+](CCNC(=O)COc1ccc(C2SCCCS2)cc1)C(C)C ZINC000023179662 818905594 /nfs/dbraw/zinc/90/55/94/818905594.db2.gz RDQFUIBZLKQTIB-UHFFFAOYSA-N 1 0 396.622 4.169 20 0 GIADRO CC[NH+](CC)CCOc1ccc(CNC(=O)Cc2c(F)cccc2Cl)cc1 ZINC000058256946 823371980 /nfs/dbraw/zinc/37/19/80/823371980.db2.gz JDRDVYRPGNPBIH-UHFFFAOYSA-N 1 0 392.902 4.059 20 0 GIADRO CC[NH+](CC)CCOc1ccc(CNC(=O)c2ccc(F)cc2Cl)cc1 ZINC000058257050 823372013 /nfs/dbraw/zinc/37/20/13/823372013.db2.gz NEVNRBQTCFUXDB-UHFFFAOYSA-N 1 0 378.875 4.130 20 0 GIADRO Cc1cc(N2CCC([NH2+][C@@H]3CCCOc4cc5c(cc43)CCC5)CC2)nc(C)n1 ZINC000122565473 823373575 /nfs/dbraw/zinc/37/35/75/823373575.db2.gz GUGSDYSYZPISOC-JOCHJYFZSA-N 1 0 392.547 4.054 20 0 GIADRO COc1ccc([C@H](CNC(=O)CCc2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000023235418 818916004 /nfs/dbraw/zinc/91/60/04/818916004.db2.gz UZSQJNSCKHUBFT-NRFANRHFSA-N 1 0 386.923 4.235 20 0 GIADRO COc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC000023245102 818916742 /nfs/dbraw/zinc/91/67/42/818916742.db2.gz CRUNDYQNRFDKJD-UHFFFAOYSA-N 1 0 380.532 4.341 20 0 GIADRO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000058263581 823372848 /nfs/dbraw/zinc/37/28/48/823372848.db2.gz VEOUEXKCSXUYIB-AWEZNQCLSA-N 1 0 385.335 4.238 20 0 GIADRO C[C@@H]1CN(C(C)(C)C[NH2+]Cc2c(-c3ccccc3)nc3sccn23)C[C@H](C)O1 ZINC000023268934 818918502 /nfs/dbraw/zinc/91/85/02/818918502.db2.gz YVZAQZKNMXEAFU-CALCHBBNSA-N 1 0 398.576 4.040 20 0 GIADRO Cc1ccccc1[C@H]1CN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)CO1 ZINC000460391693 823373987 /nfs/dbraw/zinc/37/39/87/823373987.db2.gz VUROZSYCISPABD-GBXCKJPGSA-N 1 0 392.543 4.196 20 0 GIADRO CC(=O)c1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000023409625 818935363 /nfs/dbraw/zinc/93/53/63/818935363.db2.gz OAHPKBOLOFRQPZ-BLLLJJGKSA-N 1 0 382.287 4.287 20 0 GIADRO Cc1ccc(CC[C@H](C)NC(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000460394214 823374929 /nfs/dbraw/zinc/37/49/29/823374929.db2.gz MRANESMLSJLGDB-VLCRHTCISA-N 1 0 395.547 4.073 20 0 GIADRO COc1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)c(Cl)c1OC ZINC000572647099 823374940 /nfs/dbraw/zinc/37/49/40/823374940.db2.gz ZWLKIQXHACNAHR-QYZOEREBSA-N 1 0 387.907 4.362 20 0 GIADRO CC[C@@H](C(=O)NCc1csc(-c2ccccc2)n1)[N@H+](C)Cc1ccccc1 ZINC000572650555 823375207 /nfs/dbraw/zinc/37/52/07/823375207.db2.gz KMAQIZFNAIXYCC-FQEVSTJZSA-N 1 0 379.529 4.337 20 0 GIADRO COc1ccc([C@@H](CNC(=O)CCCOc2ccc(C)cc2)[NH+]2CCCC2)cc1 ZINC000023486862 818945923 /nfs/dbraw/zinc/94/59/23/818945923.db2.gz DDAVKXKTIBXCIG-HSZRJFAPSA-N 1 0 396.531 4.116 20 0 GIADRO COC(=O)COc1cccc(C[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)c1 ZINC000189207473 823375928 /nfs/dbraw/zinc/37/59/28/823375928.db2.gz NVDZCBKQUXYFDE-UHFFFAOYSA-N 1 0 387.785 4.200 20 0 GIADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(-c2nc3ccccc3s2)s1 ZINC000058298771 823376294 /nfs/dbraw/zinc/37/62/94/823376294.db2.gz AGIPWQPPBCORRC-DZGCQCFKSA-N 1 0 383.542 4.381 20 0 GIADRO CC(=O)CCc1ccc(OC[C@H](O)C[NH2+][C@H](C)c2ccc3c(c2)CCCC3)cc1 ZINC000023677170 818972466 /nfs/dbraw/zinc/97/24/66/818972466.db2.gz VIPIJZFOBNKNJR-NTKDMRAZSA-N 1 0 395.543 4.178 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1)c1ccccn1 ZINC000023675562 818972608 /nfs/dbraw/zinc/97/26/08/818972608.db2.gz WTHNXQFSBBVJDA-HRAATJIYSA-N 1 0 398.453 4.178 20 0 GIADRO Cc1nc2cc(F)ccc2cc1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000023741945 818977997 /nfs/dbraw/zinc/97/79/97/818977997.db2.gz OXGXQFWWKYZACI-QFIPXVFZSA-N 1 0 377.463 4.249 20 0 GIADRO CC(C)c1ccc(-c2noc(CCC(=O)Nc3ccc(C[NH+](C)C)cc3)n2)cc1 ZINC000023899806 818991904 /nfs/dbraw/zinc/99/19/04/818991904.db2.gz ZVQQVDPUGUAJNS-UHFFFAOYSA-N 1 0 392.503 4.493 20 0 GIADRO CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@@H](CC)c1nc(C(F)(F)F)cs1 ZINC000460404053 823377988 /nfs/dbraw/zinc/37/79/88/823377988.db2.gz USBIEQPMKMLQQP-RYUDHWBXSA-N 1 0 380.480 4.033 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccccc2NC(=O)c2ccsc2)C1 ZINC000058316020 823378116 /nfs/dbraw/zinc/37/81/16/823378116.db2.gz FKRMPOLFLJRWJO-CALCHBBNSA-N 1 0 399.560 4.098 20 0 GIADRO Cc1nc(Cl)sc1C(=O)Nc1ccc(C[NH+]2CCSCC2)cc1C ZINC000177133067 823379117 /nfs/dbraw/zinc/37/91/17/823379117.db2.gz SHASOMXBOGDPOQ-UHFFFAOYSA-N 1 0 381.954 4.214 20 0 GIADRO CCCOc1ccc(C[NH2+][C@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)c(C)c1 ZINC000189268190 823383772 /nfs/dbraw/zinc/38/37/72/823383772.db2.gz YXYDRBKPAARNPO-MRXNPFEDSA-N 1 0 391.533 4.047 20 0 GIADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000572670953 823379332 /nfs/dbraw/zinc/37/93/32/823379332.db2.gz JBVGBIGRUQPSFV-CBVHJVASSA-N 1 0 395.469 4.220 20 0 GIADRO Brc1cccc(-c2cnc(C[NH+]3CCC([C@H]4CCCO4)CC3)o2)c1 ZINC000189241146 823380376 /nfs/dbraw/zinc/38/03/76/823380376.db2.gz SREUDDSNTFABKN-QGZVFWFLSA-N 1 0 391.309 4.495 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2ccc(C(C)(C)C)cc2)cc1F ZINC000024102409 819023865 /nfs/dbraw/zinc/02/38/65/819023865.db2.gz OPIWAXGYLFEJMP-CRAIPNDOSA-N 1 0 375.484 4.222 20 0 GIADRO CN1CC[C@H]([NH2+]Cc2ncc(Br)s2)[C@@H]1c1ccc(Cl)cc1 ZINC000572676717 823380599 /nfs/dbraw/zinc/38/05/99/823380599.db2.gz HYZYGEWFZAXWNA-WFASDCNBSA-N 1 0 386.746 4.094 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cc(-c2csc(C)n2)c[nH]1 ZINC000024182990 819030559 /nfs/dbraw/zinc/03/05/59/819030559.db2.gz ZUOGWCHAQOJNJD-UHFFFAOYSA-N 1 0 382.533 4.218 20 0 GIADRO CCC[NH+]1CCC(CNC(=O)C2(c3cc(F)cc(C(F)(F)F)c3)CC2)CC1 ZINC000189255656 823382254 /nfs/dbraw/zinc/38/22/54/823382254.db2.gz GFECUPQEUNSDTJ-UHFFFAOYSA-N 1 0 386.433 4.114 20 0 GIADRO CCc1c(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)cnn1-c1cccc(Cl)c1 ZINC000024544026 819068895 /nfs/dbraw/zinc/06/88/95/819068895.db2.gz WSJLZGNRFUDZOK-OAQYLSRUSA-N 1 0 396.922 4.121 20 0 GIADRO CCCN(CCC[NH+](C)C)C(=O)c1cc(-c2ccc(F)cc2)nc2onc(C)c21 ZINC000189272169 823384511 /nfs/dbraw/zinc/38/45/11/823384511.db2.gz OZNBAGIKJQNMAJ-UHFFFAOYSA-N 1 0 398.482 4.141 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1cc2c(s1)-c1ccccc1OC2)Cc1ccccc1 ZINC000024587291 819076806 /nfs/dbraw/zinc/07/68/06/819076806.db2.gz DEKFKCGWPIVGQI-GOSISDBHSA-N 1 0 392.524 4.210 20 0 GIADRO CCCN(CCC[NH+](C)C)C(=O)c1cc(-c2cc(C)oc2C)nc2onc(C)c21 ZINC000189274737 823384894 /nfs/dbraw/zinc/38/48/94/823384894.db2.gz PMPBJRMBCPZZBV-UHFFFAOYSA-N 1 0 398.507 4.212 20 0 GIADRO CCCn1ncc(NC(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)c1C1CC1 ZINC000572696700 823384985 /nfs/dbraw/zinc/38/49/85/823384985.db2.gz AVRLJIUPMIRMSK-QZTJIDSGSA-N 1 0 395.551 4.297 20 0 GIADRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)C1(Cc2ccccc2)CCC1 ZINC000177155204 823385478 /nfs/dbraw/zinc/38/54/78/823385478.db2.gz JFXHQNMZAVNXCG-UHFFFAOYSA-N 1 0 376.544 4.223 20 0 GIADRO O=C(CC[N@H+](Cc1ccccc1)C[C@@H](O)c1ccco1)Nc1ccccc1Cl ZINC000177155411 823385790 /nfs/dbraw/zinc/38/57/90/823385790.db2.gz JIZCGJZUGUIFIA-HXUWFJFHSA-N 1 0 398.890 4.497 20 0 GIADRO CC[C@H](C)c1nnc(N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)n1CCc1ccccc1 ZINC000460427578 823385784 /nfs/dbraw/zinc/38/57/84/823385784.db2.gz CJEXOVFWLLABKK-ZJOUEHCJSA-N 1 0 381.568 4.097 20 0 GIADRO COc1cccc([C@@H](CNC(=O)c2ccc(SC(F)(F)F)cc2)[NH+](C)C)c1 ZINC000058399499 823386133 /nfs/dbraw/zinc/38/61/33/823386133.db2.gz KQZQNDUFFANQID-QGZVFWFLSA-N 1 0 398.450 4.340 20 0 GIADRO Cc1ccc2cc(C[NH2+]Cc3cccc(CN4CCO[C@H](C)C4)c3)ccc2n1 ZINC000189281440 823386182 /nfs/dbraw/zinc/38/61/82/823386182.db2.gz YYFMQPDNBKKZBN-LJQANCHMSA-N 1 0 375.516 4.054 20 0 GIADRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1oc2ccccc2c1COc1ccccc1 ZINC000572710159 823387080 /nfs/dbraw/zinc/38/70/80/823387080.db2.gz FUOXJRPXOAFTGG-KRWDZBQOSA-N 1 0 380.488 4.470 20 0 GIADRO Cc1ccc(NC(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)c(C[NH+](C)C)c1 ZINC000177162850 823387395 /nfs/dbraw/zinc/38/73/95/823387395.db2.gz CXMLBSDBYZRDOM-SFHVURJKSA-N 1 0 381.303 4.426 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)[C@H](C)C1 ZINC000122650872 823388209 /nfs/dbraw/zinc/38/82/09/823388209.db2.gz RTQHELHBVBISCF-RKDXNWHRSA-N 1 0 399.149 4.498 20 0 GIADRO CCCCOc1ccc(OC)cc1NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000058420803 823388774 /nfs/dbraw/zinc/38/87/74/823388774.db2.gz NKWABYRIDQCSOX-UHFFFAOYSA-N 1 0 377.529 4.212 20 0 GIADRO COc1ccccc1-c1nnc(SC[C@@H](C)[NH+](C)C)n1CCc1ccccc1 ZINC000460451827 823393850 /nfs/dbraw/zinc/39/38/50/823393850.db2.gz FGHXBWOSPUTALH-QGZVFWFLSA-N 1 0 396.560 4.239 20 0 GIADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCc1ccc(Cl)nc1 ZINC000122680945 823393327 /nfs/dbraw/zinc/39/33/27/823393327.db2.gz FQQZWJBQDOMCSA-LBPRGKRZSA-N 1 0 396.716 4.047 20 0 GIADRO CC1CC[NH+]([C@@H](CNC(=O)N[C@H]2CCCC23CCOCC3)c2ccccc2)CC1 ZINC000410108648 823394117 /nfs/dbraw/zinc/39/41/17/823394117.db2.gz WRCFIWXDWSNVRK-VXKWHMMOSA-N 1 0 399.579 4.108 20 0 GIADRO C[C@H]([NH2+][C@H](c1ccc(Cl)cc1)C1CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177185129 823394159 /nfs/dbraw/zinc/39/41/59/823394159.db2.gz UJUHSVNXAKPMCJ-XOBRGWDASA-N 1 0 392.952 4.392 20 0 GIADRO COc1cc(C[NH2+][C@@H](C)c2ccc(Br)cc2OC)cc(OC)c1O ZINC000572764181 823394494 /nfs/dbraw/zinc/39/44/94/823394494.db2.gz KLEUDNVIUMDGLS-NSHDSACASA-N 1 0 396.281 4.031 20 0 GIADRO C[N@@H+]1CCCN(c2ccc(NC(=O)c3cncc(-c4ccccc4)c3)cc2)CC1 ZINC000177188591 823394896 /nfs/dbraw/zinc/39/48/96/823394896.db2.gz DIQUVSYYJMFZPD-UHFFFAOYSA-N 1 0 386.499 4.143 20 0 GIADRO COc1ccc(-c2ccc(C(=O)N(C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)c(F)c2)c(F)c1 ZINC000122688043 823394987 /nfs/dbraw/zinc/39/49/87/823394987.db2.gz VLZXZXRHIWAMJG-GOEBONIOSA-N 1 0 388.458 4.195 20 0 GIADRO C[C@@H]1CC[NH2+][C@@H](C(=O)Nc2ccc(Oc3cccc(C(F)(F)F)n3)cc2)C1 ZINC000572768449 823395158 /nfs/dbraw/zinc/39/51/58/823395158.db2.gz AUCNDSPOEQRRAL-IUODEOHRSA-N 1 0 379.382 4.219 20 0 GIADRO C[C@H](NCc1cc(O)cc(C(F)(F)F)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000572767509 823395387 /nfs/dbraw/zinc/39/53/87/823395387.db2.gz OAZCCKBWYNKGIS-YJBOKZPZSA-N 1 0 378.438 4.411 20 0 GIADRO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000122703008 823397713 /nfs/dbraw/zinc/39/77/13/823397713.db2.gz NUWODQMLIFYHJP-HZPDHXFCSA-N 1 0 391.508 4.128 20 0 GIADRO O=C(N[C@H]1CCCN(c2ccccc2)C1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000572792522 823399364 /nfs/dbraw/zinc/39/93/64/823399364.db2.gz AKUMWDSAIYOLGE-QFIPXVFZSA-N 1 0 377.532 4.071 20 0 GIADRO CCOc1c(Cl)cc(C[NH2+]Cc2ccc(OC)c(OC)c2C)cc1OC ZINC000572796412 823400153 /nfs/dbraw/zinc/40/01/53/823400153.db2.gz IOZMUMKVQAJONU-UHFFFAOYSA-N 1 0 379.884 4.363 20 0 GIADRO CC1(C)C[N@H+](Cc2cccc(C(=O)N3CCCCC3)c2)Cc2ccccc2O1 ZINC000572797838 823400428 /nfs/dbraw/zinc/40/04/28/823400428.db2.gz IITPWZWKTUTWTA-UHFFFAOYSA-N 1 0 378.516 4.486 20 0 GIADRO COc1ccc2c(c1F)CC[C@H]2Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000572797426 823400454 /nfs/dbraw/zinc/40/04/54/823400454.db2.gz WAFNNTZRGBOXGV-JOCHJYFZSA-N 1 0 395.522 4.466 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1ccccc1CCc1ccccc1 ZINC000058497211 823400473 /nfs/dbraw/zinc/40/04/73/823400473.db2.gz VWYQSALHLZYVKN-UHFFFAOYSA-N 1 0 399.538 4.261 20 0 GIADRO COc1ccccc1C[C@@H]1CCC[N@@H+]1CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000058525694 823403707 /nfs/dbraw/zinc/40/37/07/823403707.db2.gz ZLDAXUROIUSAEN-INIZCTEOSA-N 1 0 392.952 4.076 20 0 GIADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2cc3cc(C)ccc3o2)c1 ZINC000058510369 823401682 /nfs/dbraw/zinc/40/16/82/823401682.db2.gz QNUMZOYEJSLNKU-UHFFFAOYSA-N 1 0 393.487 4.065 20 0 GIADRO COc1ccc(C(=O)Nc2cccc3c2OCC[C@H]3[NH+](C)C)c2ccccc12 ZINC000572808766 823402818 /nfs/dbraw/zinc/40/28/18/823402818.db2.gz DHNDMKCSUCAVPI-HXUWFJFHSA-N 1 0 376.456 4.486 20 0 GIADRO COCCOc1ccc([C@@H](C)[NH2+][C@H](C)c2ccccc2-n2cccn2)cc1OC ZINC000177225311 823404047 /nfs/dbraw/zinc/40/40/47/823404047.db2.gz KZOZWUMLGQQEBD-QZTJIDSGSA-N 1 0 395.503 4.318 20 0 GIADRO COc1cc(NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)cc(OC)c1 ZINC000058522440 823403381 /nfs/dbraw/zinc/40/33/81/823403381.db2.gz NBCWWFVFHWKJEF-QGZVFWFLSA-N 1 0 397.519 4.257 20 0 GIADRO CCC[N@H+](CC)Cc1ccc(C(=O)Nc2ccc(-c3cncnc3)cn2)cc1 ZINC000410167687 823408628 /nfs/dbraw/zinc/40/86/28/823408628.db2.gz UHONGPUKTGILKM-UHFFFAOYSA-N 1 0 375.476 4.023 20 0 GIADRO C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000410159018 823405664 /nfs/dbraw/zinc/40/56/64/823405664.db2.gz SSVMWNOSMMIBAN-DYVFJYSZSA-N 1 0 397.302 4.307 20 0 GIADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)Nc2ccc(NC(=O)c3ccco3)cc2)C1 ZINC000058537343 823405775 /nfs/dbraw/zinc/40/57/75/823405775.db2.gz XXPSJEYFJDHFOH-QGZVFWFLSA-N 1 0 398.507 4.166 20 0 GIADRO CC(C)c1nn(C)cc1NC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000572831087 823406941 /nfs/dbraw/zinc/40/69/41/823406941.db2.gz UBHCXVKACUPKGV-UHFFFAOYSA-N 1 0 383.540 4.097 20 0 GIADRO CCC[C@H](CC1CCCC1)C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000460492830 823406956 /nfs/dbraw/zinc/40/69/56/823406956.db2.gz QIEDSSXMVKCXIQ-OAQYLSRUSA-N 1 0 377.617 4.050 20 0 GIADRO CCC(CC)[C@@H]1C[C@H]([NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)CCO1 ZINC000189393651 823407534 /nfs/dbraw/zinc/40/75/34/823407534.db2.gz BFNHMZNBRBBZDI-JLHLRHAYSA-N 1 0 398.547 4.167 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1)c1ccccc1-n1cccn1 ZINC000177257809 823411668 /nfs/dbraw/zinc/41/16/68/823411668.db2.gz LANIWSNLMXMIOH-DLBZAZTESA-N 1 0 376.460 4.241 20 0 GIADRO CN(Cc1coc(-c2cccc(F)c2)n1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177257487 823411733 /nfs/dbraw/zinc/41/17/33/823411733.db2.gz VPFFQBGYHKFHST-UHFFFAOYSA-N 1 0 394.494 4.015 20 0 GIADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)CCc2ccc(OC(F)(F)F)cc2)C1 ZINC000410177458 823411771 /nfs/dbraw/zinc/41/17/71/823411771.db2.gz DWTNMEYSRLRTAO-JZXOWHBKSA-N 1 0 398.469 4.382 20 0 GIADRO FC(F)(F)CN1CCC[N@H+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000058577952 823411819 /nfs/dbraw/zinc/41/18/19/823411819.db2.gz QPUAIDQBTSOQPL-UHFFFAOYSA-N 1 0 392.465 4.363 20 0 GIADRO CCOc1c(Cl)cc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1OC ZINC000177264395 823413878 /nfs/dbraw/zinc/41/38/78/823413878.db2.gz PRCZMDSEGKSMAZ-UHFFFAOYSA-N 1 0 394.943 4.274 20 0 GIADRO O=C(CC1CCCC1)N1CCC[N@@H+](CCCOc2ccc(Cl)cc2)CC1 ZINC000058579453 823412198 /nfs/dbraw/zinc/41/21/98/823412198.db2.gz MBQPVEZSWLYOKA-UHFFFAOYSA-N 1 0 378.944 4.224 20 0 GIADRO FC(F)Oc1cc(-c2noc(C3CC[NH+](Cc4ccccc4)CC3)n2)ccn1 ZINC000410180652 823412707 /nfs/dbraw/zinc/41/27/07/823412707.db2.gz IQNYJIXKHUUNPL-UHFFFAOYSA-N 1 0 386.402 4.113 20 0 GIADRO C[N@H+](Cc1ccccc1C(F)(F)F)C1CCN(CCc2ccccn2)CC1 ZINC000177260951 823412725 /nfs/dbraw/zinc/41/27/25/823412725.db2.gz IIDXGWOJJWGBDF-UHFFFAOYSA-N 1 0 377.454 4.239 20 0 GIADRO Cc1ccc(Cl)c(O[C@H](C)C(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)c1 ZINC000410182078 823413298 /nfs/dbraw/zinc/41/32/98/823413298.db2.gz WYNOLHIWMUDYDY-MRXNPFEDSA-N 1 0 390.911 4.132 20 0 GIADRO CC[NH+](CC)C[C@H]1CCN(C(=O)C[C@@H](C)c2ccc(Br)cc2)C1 ZINC000122768664 823409038 /nfs/dbraw/zinc/40/90/38/823409038.db2.gz VKJJWXJKBUQFRD-HZPDHXFCSA-N 1 0 381.358 4.133 20 0 GIADRO COc1ccc([C@H]2C[C@H]([NH2+]Cc3c(C(C)C)nc4sc(C)nn34)C2)cc1F ZINC000572850241 823409151 /nfs/dbraw/zinc/40/91/51/823409151.db2.gz FTBOSSKITUTVNP-SHTZXODSSA-N 1 0 388.512 4.406 20 0 GIADRO Cc1ccc(-c2ccnn2C)cc1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000410185226 823413604 /nfs/dbraw/zinc/41/36/04/823413604.db2.gz NLVPMCPWHZOFOK-UHFFFAOYSA-N 1 0 388.515 4.246 20 0 GIADRO CC1CC[NH+]([C@H](CNC(=O)NCc2cc(F)cc(F)c2)c2cccs2)CC1 ZINC000410170948 823409916 /nfs/dbraw/zinc/40/99/16/823409916.db2.gz IEUTXTNGLLBCHI-GOSISDBHSA-N 1 0 393.503 4.299 20 0 GIADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)N[C@H](c3cc4ccccc4o3)c3ccccc3)C[C@@H]21 ZINC000572856366 823409973 /nfs/dbraw/zinc/40/99/73/823409973.db2.gz VFOOCBMLYIWMHP-AWWSKVOZSA-N 1 0 389.499 4.291 20 0 GIADRO CC(C)(C)OC(=O)N1CCC([NH2+]CCc2ccc(Br)s2)CC1 ZINC000177252617 823409970 /nfs/dbraw/zinc/40/99/70/823409970.db2.gz BSQLZFJJBBJBMQ-UHFFFAOYSA-N 1 0 389.359 4.042 20 0 GIADRO CC(C)C[NH+]1CCC(NC(=O)N[C@H]2CCCc3cc(OC(F)F)ccc32)CC1 ZINC000058562323 823410092 /nfs/dbraw/zinc/41/00/92/823410092.db2.gz JNVYCIWKBSXQDI-IBGZPJMESA-N 1 0 395.494 4.085 20 0 GIADRO C[C@H](Sc1nc2ccccc2s1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000058593735 823414409 /nfs/dbraw/zinc/41/44/09/823414409.db2.gz HSJWWHKVMNZHOS-DOTOQJQBSA-N 1 0 397.569 4.168 20 0 GIADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000177266990 823414726 /nfs/dbraw/zinc/41/47/26/823414726.db2.gz KJVBVPONBLFSAB-DLBZAZTESA-N 1 0 378.919 4.496 20 0 GIADRO [NH3+]CC12CCC(CC1)CN2C(=O)[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000572893900 823415268 /nfs/dbraw/zinc/41/52/68/823415268.db2.gz DQUBKEFOVBVKIR-NWHKEJIDSA-N 1 0 390.527 4.099 20 0 GIADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1cccc(OCc2cccnc2)c1 ZINC000177269336 823415793 /nfs/dbraw/zinc/41/57/93/823415793.db2.gz MKEUBWVIFNZXEW-UHFFFAOYSA-N 1 0 393.531 4.188 20 0 GIADRO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)C1(Cc2ccccc2)CC1 ZINC000572897922 823416502 /nfs/dbraw/zinc/41/65/02/823416502.db2.gz BZEZFNGSONPSFH-QHCPKHFHSA-N 1 0 376.544 4.428 20 0 GIADRO COc1ccccc1CC(=O)N1CCC([NH2+][C@H](C)c2ccccc2Cl)CC1 ZINC000177272887 823417011 /nfs/dbraw/zinc/41/70/11/823417011.db2.gz ZTAHDZVRQUTJPR-MRXNPFEDSA-N 1 0 386.923 4.233 20 0 GIADRO CS(=O)(=O)Cc1cccc(C[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)c1 ZINC000177273791 823417325 /nfs/dbraw/zinc/41/73/25/823417325.db2.gz WFVUAZWSXZUSIO-JOCHJYFZSA-N 1 0 383.488 4.250 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(O)ccc1C(F)(F)F ZINC000189460995 823422082 /nfs/dbraw/zinc/42/20/82/823422082.db2.gz WRBNOYNYEJFYAB-MRXNPFEDSA-N 1 0 392.421 4.005 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@@H]2CCCC[C@H]2OC(F)F)CC1 ZINC000410215814 823422511 /nfs/dbraw/zinc/42/25/11/823422511.db2.gz MPURAEQWLDTKCA-KFKAGJAMSA-N 1 0 395.494 4.062 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1=O)c1cccc(Br)c1 ZINC000410218630 823422987 /nfs/dbraw/zinc/42/29/87/823422987.db2.gz VGZVSUINRZSHGI-MLGOLLRUSA-N 1 0 377.257 4.044 20 0 GIADRO CCSc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000177291303 823423068 /nfs/dbraw/zinc/42/30/68/823423068.db2.gz YRBXYRLDMVNSQL-HOTGVXAUSA-N 1 0 392.590 4.461 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)Nc1ccc2c(c1)C(=O)CCC2 ZINC000177290558 823423115 /nfs/dbraw/zinc/42/31/15/823423115.db2.gz MQIQYPSVVLZXAV-UHFFFAOYSA-N 1 0 377.488 4.123 20 0 GIADRO CN(C(=O)Nc1ccc2c(c1)C(=O)CCC2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000177291591 823423428 /nfs/dbraw/zinc/42/34/28/823423428.db2.gz BSNVFDCOANFDIQ-UHFFFAOYSA-N 1 0 391.515 4.334 20 0 GIADRO Cc1noc(C[C@H]([NH2+][C@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)c2ccccc2)n1 ZINC000572938186 823423816 /nfs/dbraw/zinc/42/38/16/823423816.db2.gz UBJYABALGKQEDD-VLIAUNLRSA-N 1 0 390.487 4.242 20 0 GIADRO Cc1nc(CC[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)sc1C ZINC000122855067 823424116 /nfs/dbraw/zinc/42/41/16/823424116.db2.gz AUIUVXFDEURLAB-UHFFFAOYSA-N 1 0 389.528 4.340 20 0 GIADRO Cc1ccc(Cl)c(O[C@@H](C)C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)c1 ZINC000410205874 823419577 /nfs/dbraw/zinc/41/95/77/823419577.db2.gz KFKGCTZSTZHBEQ-SFHVURJKSA-N 1 0 386.923 4.150 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)NCc2cc(OC)nc3ccccc23)cc1)C(C)C ZINC000460529425 823420972 /nfs/dbraw/zinc/42/09/72/823420972.db2.gz FPSDJLBOIBNEEO-UHFFFAOYSA-N 1 0 391.515 4.404 20 0 GIADRO CC[NH+](CC)CCOc1cc(NC(=O)C2CCC(F)(F)CC2)ccc1OC ZINC000122868059 823426033 /nfs/dbraw/zinc/42/60/33/823426033.db2.gz XWKLZEZBVAKFNZ-UHFFFAOYSA-N 1 0 384.467 4.180 20 0 GIADRO O=C(Nc1ccccc1)[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000122869108 823426554 /nfs/dbraw/zinc/42/65/54/823426554.db2.gz HMRVWHUBUCPJRH-INIZCTEOSA-N 1 0 378.451 4.067 20 0 GIADRO O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000122871830 823426772 /nfs/dbraw/zinc/42/67/72/823426772.db2.gz PNPAMOTUFFWKAL-QGZVFWFLSA-N 1 0 378.451 4.067 20 0 GIADRO O=C(Nc1ccccc1)[C@@H]1CCC[N@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000122889926 823429416 /nfs/dbraw/zinc/42/94/16/823429416.db2.gz ANWFEBOYXNOCNO-LJQANCHMSA-N 1 0 388.471 4.120 20 0 GIADRO COc1ccc(Br)cc1CC(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000177303648 823427024 /nfs/dbraw/zinc/42/70/24/823427024.db2.gz RKYIFSNKDANABZ-UHFFFAOYSA-N 1 0 391.309 4.009 20 0 GIADRO [NH3+]CCCCNC(=O)c1c2ccccc2nc2c1CCC/C2=C\c1ccco1 ZINC000572964708 823427179 /nfs/dbraw/zinc/42/71/79/823427179.db2.gz WDLIUXGIBWKMGF-FOCLMDBBSA-N 1 0 375.472 4.173 20 0 GIADRO CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000177305397 823427617 /nfs/dbraw/zinc/42/76/17/823427617.db2.gz YWIIIFSIYGVEMR-RTWAWAEBSA-N 1 0 377.532 4.241 20 0 GIADRO Cc1csc(-c2cccc(C(=O)NCc3ccc(F)c(C[NH+](C)C)c3)c2)n1 ZINC000122881158 823427979 /nfs/dbraw/zinc/42/79/79/823427979.db2.gz ZDXFXQPJUYQTSF-UHFFFAOYSA-N 1 0 383.492 4.249 20 0 GIADRO COc1ccccc1C(C)(C)C(=O)NC[C@@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000058676916 823428824 /nfs/dbraw/zinc/42/88/24/823428824.db2.gz SSYGIZDHAGLWNX-QFIPXVFZSA-N 1 0 394.559 4.172 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc3c(c2)C(=O)CCC3)[C@@H]1c1cccs1 ZINC000177310568 823428867 /nfs/dbraw/zinc/42/88/67/823428867.db2.gz HYZAJEKIEMDAJY-IIBYNOLFSA-N 1 0 397.544 4.472 20 0 GIADRO CC1(NC(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3s2)CC[NH2+]CC1 ZINC000572976983 823428990 /nfs/dbraw/zinc/42/89/90/823428990.db2.gz UOZONDDPKDSRIK-SFHVURJKSA-N 1 0 394.544 4.021 20 0 GIADRO CC[NH+](CC)CCN(CC(C)C)C(=O)c1csc(-c2ccccc2OC)n1 ZINC000058683493 823430009 /nfs/dbraw/zinc/43/00/09/823430009.db2.gz XKRAFSOCMIPIGX-UHFFFAOYSA-N 1 0 389.565 4.259 20 0 GIADRO O=C(Nc1ccccc1)[C@H]1CCC[N@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000122895024 823430341 /nfs/dbraw/zinc/43/03/41/823430341.db2.gz FUQKNCZYJXTFOR-INIZCTEOSA-N 1 0 378.501 4.056 20 0 GIADRO C[C@@H]1C[C@H]1[C@@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)c1ccc(Cl)cc1 ZINC000460555472 823430645 /nfs/dbraw/zinc/43/06/45/823430645.db2.gz FJYMOWXZFAMPDE-BSIFCXSSSA-N 1 0 390.955 4.188 20 0 GIADRO CC(=O)c1ccc(CC(=O)NC[C@@H](c2ccc(CC(C)C)cc2)[NH+](C)C)cc1 ZINC000573007951 823432792 /nfs/dbraw/zinc/43/27/92/823432792.db2.gz ZWSNYJLWMOJZSP-QHCPKHFHSA-N 1 0 380.532 4.049 20 0 GIADRO C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+]Cc1cccc(NS(C)(=O)=O)c1 ZINC000573011083 823433473 /nfs/dbraw/zinc/43/34/73/823433473.db2.gz CRSLSNFJNAPYGP-NTEUORMPSA-N 1 0 398.450 4.270 20 0 GIADRO O=C(C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1)N[C@@H]1CCCc2ccccc21 ZINC000024663778 819861338 /nfs/dbraw/zinc/86/13/38/819861338.db2.gz LWADQWYZHMXMFI-AZUAARDMSA-N 1 0 389.499 4.201 20 0 GIADRO CC(C)[C@@H]([NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)c1ccc(F)cc1 ZINC000024679906 819863866 /nfs/dbraw/zinc/86/38/66/819863866.db2.gz YGUBKMAGNBGMEL-XMSQKQJNSA-N 1 0 388.446 4.350 20 0 GIADRO Cc1cccc(NC(=O)[C@H](C)[NH2+][C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000573022468 823434969 /nfs/dbraw/zinc/43/49/69/823434969.db2.gz HXXHCZPEKSSZTB-PNHOKKKMSA-N 1 0 389.902 4.150 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)C1(c2ccc(Br)cc2)CC1 ZINC000177340897 823440200 /nfs/dbraw/zinc/44/02/00/823440200.db2.gz FKPLYYVDSMQKLV-UHFFFAOYSA-N 1 0 387.321 4.489 20 0 GIADRO COc1cc2c(cc1OC)[C@@H](c1cccs1)[N@H+](CCc1ccccn1)CC2 ZINC000024786806 819876790 /nfs/dbraw/zinc/87/67/90/819876790.db2.gz SQXPEKCTLCICFR-QFIPXVFZSA-N 1 0 380.513 4.351 20 0 GIADRO C[C@@H](NC(=O)NCc1ccc(C[NH+](C)C)cc1)c1ccc(-c2cccnc2)cc1 ZINC000177328376 823435178 /nfs/dbraw/zinc/43/51/78/823435178.db2.gz XRAWSZAFHAEYKL-GOSISDBHSA-N 1 0 388.515 4.371 20 0 GIADRO COCCc1ccccc1NC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000189513734 823435237 /nfs/dbraw/zinc/43/52/37/823435237.db2.gz DSQOZWJKLBYSMB-UHFFFAOYSA-N 1 0 395.547 4.251 20 0 GIADRO Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)Nc2ccccc2C[NH+](C)C)c1 ZINC000024810973 819880179 /nfs/dbraw/zinc/88/01/79/819880179.db2.gz KAUNTRZJCPKFNH-UHFFFAOYSA-N 1 0 395.532 4.007 20 0 GIADRO COc1cc(C[NH+]2CCC(c3nc(-c4ccccc4)no3)CC2)cc(OC)c1 ZINC000024878749 819887983 /nfs/dbraw/zinc/88/79/83/819887983.db2.gz MYIRSVZKDQPVSN-UHFFFAOYSA-N 1 0 379.460 4.133 20 0 GIADRO C[C@@H](Oc1ccccc1F)C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000024898086 819891286 /nfs/dbraw/zinc/89/12/86/819891286.db2.gz IZPMBVSPITZOEM-GOSISDBHSA-N 1 0 384.495 4.141 20 0 GIADRO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)C1 ZINC000177332411 823436501 /nfs/dbraw/zinc/43/65/01/823436501.db2.gz DVZJLJQXDSJQRL-KRWDZBQOSA-N 1 0 386.540 4.059 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)CCCNC(=O)c1ccco1)C1CCCCC1 ZINC000025154753 819936428 /nfs/dbraw/zinc/93/64/28/819936428.db2.gz FHGOLOJWUJFFBL-UHFFFAOYSA-N 1 0 397.519 4.193 20 0 GIADRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(SC(F)(F)F)cc1 ZINC000025252328 819950551 /nfs/dbraw/zinc/95/05/51/819950551.db2.gz QTSZQMQGKXLZSI-MRXNPFEDSA-N 1 0 380.435 4.303 20 0 GIADRO CSc1ccccc1[C@@H](C)NC(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000410264583 823440126 /nfs/dbraw/zinc/44/01/26/823440126.db2.gz FGXZUAFAOSYGFI-MRXNPFEDSA-N 1 0 386.586 4.448 20 0 GIADRO CCOc1cc(C[NH2+]Cc2cccs2)ccc1OCC(=O)Nc1ccccc1 ZINC000025261091 819952055 /nfs/dbraw/zinc/95/20/55/819952055.db2.gz CUFCQSZWAYGOCC-UHFFFAOYSA-N 1 0 396.512 4.454 20 0 GIADRO CC(=O)c1ccc(-c2ccc(C(=O)NC[C@H](c3ccsc3)[NH+](C)C)o2)cc1 ZINC000025329709 819963880 /nfs/dbraw/zinc/96/38/80/819963880.db2.gz NMFGQFLBXCWHMW-GOSISDBHSA-N 1 0 382.485 4.243 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1ccc(NC(=O)c2cccs2)cc1)c1ccsc1 ZINC000025330642 819963991 /nfs/dbraw/zinc/96/39/91/819963991.db2.gz VEOGTHZZFISMBJ-KRWDZBQOSA-N 1 0 399.541 4.095 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)CCOc1cccc(Br)c1 ZINC000177347944 823441804 /nfs/dbraw/zinc/44/18/04/823441804.db2.gz UVYDHSKXZRUYAF-UHFFFAOYSA-N 1 0 391.309 4.227 20 0 GIADRO CCOC(=O)[C@]1(C(C)C)CC[N@@H+]([C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)C1 ZINC000573057772 823441878 /nfs/dbraw/zinc/44/18/78/823441878.db2.gz WRZTURVRFXZIPO-VGOFRKELSA-N 1 0 385.508 4.326 20 0 GIADRO COc1cc(C[NH2+]C[C@H](c2ccco2)N(C)C)ccc1OCc1ccc(F)cc1 ZINC000025355265 819969245 /nfs/dbraw/zinc/96/92/45/819969245.db2.gz ZXHKHDXOSRSBJR-HXUWFJFHSA-N 1 0 398.478 4.399 20 0 GIADRO FC1(F)CCCC[C@H]1C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 ZINC000573059745 823442370 /nfs/dbraw/zinc/44/23/70/823442370.db2.gz ZNPIEGVZWRDTGA-FUHIMQAGSA-N 1 0 388.462 4.311 20 0 GIADRO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)C[NH+]1CCCCCC1 ZINC000025407634 819976482 /nfs/dbraw/zinc/97/64/82/819976482.db2.gz RKTUIVXUAAWIRW-IBGZPJMESA-N 1 0 393.531 4.334 20 0 GIADRO COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@@H+]3CCc4ccccc4C3)ccc2c1 ZINC000025410760 819977259 /nfs/dbraw/zinc/97/72/59/819977259.db2.gz MPXKNHFKAXKWJC-SFHVURJKSA-N 1 0 388.511 4.254 20 0 GIADRO CC(C)c1c(C(=O)NCC[NH+]2CCCCCC2)cnn1-c1cccc(Cl)c1 ZINC000058744510 823442849 /nfs/dbraw/zinc/44/28/49/823442849.db2.gz IYUJNEZMIFUAJA-UHFFFAOYSA-N 1 0 388.943 4.255 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC000025440473 819980572 /nfs/dbraw/zinc/98/05/72/819980572.db2.gz NFSCZRURJFAUNB-QFIPXVFZSA-N 1 0 388.515 4.135 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000025440470 819980860 /nfs/dbraw/zinc/98/08/60/819980860.db2.gz NFSCZRURJFAUNB-JOCHJYFZSA-N 1 0 388.515 4.135 20 0 GIADRO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)C[N@@H+]1CCC[C@H](C)C1 ZINC000025498681 819991899 /nfs/dbraw/zinc/99/18/99/819991899.db2.gz HNIDDNXVRAUQIZ-OALUTQOASA-N 1 0 393.531 4.190 20 0 GIADRO CCCC[N@H+](C)CC(=O)N(C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 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COc1ccc2cc(/C=C/C(=O)NC[C@H](c3ccsc3)[NH+](C)C)ccc2c1 ZINC000025812475 820027454 /nfs/dbraw/zinc/02/74/54/820027454.db2.gz GQKFCOXLXMYJQK-AEVNEEFTSA-N 1 0 380.513 4.342 20 0 GIADRO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)c1cc2cc(Cl)ccc2o1 ZINC000025861597 820031843 /nfs/dbraw/zinc/03/18/43/820031843.db2.gz VPWGKUPCPOLDDI-UHFFFAOYSA-N 1 0 397.906 4.028 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1cccc2ncccc21)c1cccc(OC)c1 ZINC000025863091 820032407 /nfs/dbraw/zinc/03/24/07/820032407.db2.gz CVPLQRZERNLLJQ-JOCHJYFZSA-N 1 0 377.488 4.056 20 0 GIADRO CCOc1ccc(-c2nc(C)c(C(=O)N(C)[C@H]3CC[N@H+](C)[C@H](C)C3)s2)cc1 ZINC000123048530 823453169 /nfs/dbraw/zinc/45/31/69/823453169.db2.gz RZUADQCGBRGCTB-PBHICJAKSA-N 1 0 387.549 4.072 20 0 GIADRO O=C(CC[NH+]1CCC(C(=O)c2ccccc2)CC1)Nc1ccc(Cl)cc1F ZINC000025946929 820042910 /nfs/dbraw/zinc/04/29/10/820042910.db2.gz ZFKOJOWGXALYEK-UHFFFAOYSA-N 1 0 388.870 4.403 20 0 GIADRO CNC(=O)c1ccc(C[N@H+](Cc2ccc(-n3nc(C)cc3C)cc2)C2CC2)cc1 ZINC000025947786 820043623 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GIADRO Cc1ccc2ncc(C[NH2+]Cc3ccc4c(c3)CN(C(=O)OC(C)(C)C)C4)n2c1 ZINC000189581078 823450646 /nfs/dbraw/zinc/45/06/46/823450646.db2.gz OFVZBTIYBVMPJS-UHFFFAOYSA-N 1 0 392.503 4.183 20 0 GIADRO COc1ccc(C2(C(=O)NC[C@H](c3ccco3)[NH+]3CCCCC3)CCCC2)cc1 ZINC000058782268 823451017 /nfs/dbraw/zinc/45/10/17/823451017.db2.gz MEHGGUGNGOAABW-OAQYLSRUSA-N 1 0 396.531 4.443 20 0 GIADRO COc1ccc([C@H](CNC(=O)C2CCC(F)(F)CC2)[NH+]2CCCCC2)cc1 ZINC000123034863 823451107 /nfs/dbraw/zinc/45/11/07/823451107.db2.gz AAUHXFMALGWWAB-IBGZPJMESA-N 1 0 380.479 4.164 20 0 GIADRO Clc1cc(C[NH2+]C[C@H](c2ccco2)N2CCCCC2)cc2c1OCCCO2 ZINC000026306647 820080249 /nfs/dbraw/zinc/08/02/49/820080249.db2.gz RRIXEUSIBJXYOE-GOSISDBHSA-N 1 0 390.911 4.411 20 0 GIADRO Cc1ccc(Cn2cc(C[NH2+]CCn3ccnc3)c(-c3ccc(C)cc3)n2)cc1 ZINC000026309323 820080891 /nfs/dbraw/zinc/08/08/91/820080891.db2.gz PXWAFUDDLRCGJO-UHFFFAOYSA-N 1 0 385.515 4.202 20 0 GIADRO COC(=O)c1ccc(C[N@H+](C)CCC(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000026321207 820082385 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CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC2(CCC2)[C@H]1C1CC1 ZINC000460623994 823459101 /nfs/dbraw/zinc/45/91/01/823459101.db2.gz XSPCFCOZDTYZIG-LEWJYISDSA-N 1 0 381.564 4.261 20 0 GIADRO O=C(Nc1ccc(F)cc1)[C@@H]([NH2+]C[C@@H]1Cc2ccccc2O1)c1ccccc1 ZINC000027032612 820183210 /nfs/dbraw/zinc/18/32/10/820183210.db2.gz QPPWDBZTVZIBGE-UNMCSNQZSA-N 1 0 376.431 4.099 20 0 GIADRO Oc1cc(C[NH2+]Cc2ccc(N3CCCCCC3)nc2)cc(C(F)(F)F)c1 ZINC000573169587 823459103 /nfs/dbraw/zinc/45/91/03/823459103.db2.gz KWPBVGDTUZSQSV-UHFFFAOYSA-N 1 0 379.426 4.476 20 0 GIADRO COc1cccc([C@@H](C)C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccc(C)s3)C2)c1 ZINC000573140020 823453808 /nfs/dbraw/zinc/45/38/08/823453808.db2.gz XCHCMFTYHDUXFR-MSOLQXFVSA-N 1 0 386.561 4.149 20 0 GIADRO Cc1c2ccccc2sc1C(=O)C(C(=S)NC1CC1)[n+]1cccc(C)c1 ZINC000027060224 820186997 /nfs/dbraw/zinc/18/69/97/820186997.db2.gz VKZPDPKDXPYKHJ-UHFFFAOYSA-O 1 0 381.546 4.496 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@@H]1CCN(c2ccccc2)C1)CC3 ZINC000123087558 823460230 /nfs/dbraw/zinc/46/02/30/823460230.db2.gz GZOHDRHFPAGIDL-ROUUACIJSA-N 1 0 375.516 4.150 20 0 GIADRO Cc1sc(-c2ccco2)nc1C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000058880125 823465398 /nfs/dbraw/zinc/46/53/98/823465398.db2.gz YYDZCEIJAIADAH-UHFFFAOYSA-N 1 0 387.549 4.440 20 0 GIADRO O=C(CCc1nc(-c2ccsc2)no1)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000027140784 820200656 /nfs/dbraw/zinc/20/06/56/820200656.db2.gz STYGRMSIWMWPIP-UHFFFAOYSA-N 1 0 396.516 4.355 20 0 GIADRO O=C(CC[C@@H]1Cc2ccccc2NC1=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000027141798 820200673 /nfs/dbraw/zinc/20/06/73/820200673.db2.gz QGGPXEYHFBGVKK-HXUWFJFHSA-N 1 0 391.515 4.202 20 0 GIADRO CC(C)(C)c1noc(CCCC(=O)Nc2cccc(C[NH+]3CCCCC3)c2)n1 ZINC000027142730 820200783 /nfs/dbraw/zinc/20/07/83/820200783.db2.gz FEKKJGJHCYRGAH-UHFFFAOYSA-N 1 0 384.524 4.314 20 0 GIADRO O=C(Cc1coc2cc3c(cc12)CCC3)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000027145782 820201073 /nfs/dbraw/zinc/20/10/73/820201073.db2.gz UIZMLQHQGMJSSF-HXUWFJFHSA-N 1 0 394.540 4.479 20 0 GIADRO C[C@@H]1CN(C[C@H]2CCC3(CCCC3)O2)CC[N@H+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000573177299 823461211 /nfs/dbraw/zinc/46/12/11/823461211.db2.gz OZCKLRSPGIJMFR-DKUWSORSSA-N 1 0 390.612 4.224 20 0 GIADRO COc1ccc(Br)c(C[NH2+]C[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)c1 ZINC000189622727 823461214 /nfs/dbraw/zinc/46/12/14/823461214.db2.gz PTPNDJBBUBGJEV-IUODEOHRSA-N 1 0 396.247 4.031 20 0 GIADRO COc1ccc(C(=O)C(C(=S)Nc2ccccc2)[n+]2ccc(C)cc2)cc1 ZINC000027184052 820207506 /nfs/dbraw/zinc/20/75/06/820207506.db2.gz MDPFHDMQSVBKNV-UHFFFAOYSA-O 1 0 377.489 4.342 20 0 GIADRO CN(C)[C@@H](C[NH2+]Cc1ccccc1OCc1ccncc1)c1cccc(F)c1 ZINC000027217135 820210980 /nfs/dbraw/zinc/21/09/80/820210980.db2.gz JZDKSNOQSRWOBK-QFIPXVFZSA-N 1 0 379.479 4.192 20 0 GIADRO O=C(NCc1csc2ccccc12)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000410318807 823461785 /nfs/dbraw/zinc/46/17/85/823461785.db2.gz ZXBONGKZCZIVCG-UHFFFAOYSA-N 1 0 393.556 4.408 20 0 GIADRO c1cnn(Cc2ccc(C[NH2+]Cc3ccccc3OCc3ccncc3)cc2)c1 ZINC000027217589 820211502 /nfs/dbraw/zinc/21/15/02/820211502.db2.gz XBUQBWKNNPYPMQ-UHFFFAOYSA-N 1 0 384.483 4.195 20 0 GIADRO CCC[NH+](CCC)CC(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 ZINC000027270296 820217800 /nfs/dbraw/zinc/21/78/00/820217800.db2.gz KSDCCHBZUAVHJY-SFHVURJKSA-N 1 0 381.520 4.238 20 0 GIADRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000058853683 823462345 /nfs/dbraw/zinc/46/23/45/823462345.db2.gz XDEVSGRBZHYZOM-GOSISDBHSA-N 1 0 388.855 4.207 20 0 GIADRO CCCCNC(=S)C(C(=O)c1cc(C)n(C)c1C)[n+]1ccc(CCC)cc1 ZINC000027325207 820224752 /nfs/dbraw/zinc/22/47/52/820224752.db2.gz GXRXIZUWJGYVHT-UHFFFAOYSA-O 1 0 386.585 4.210 20 0 GIADRO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000177441816 823462871 /nfs/dbraw/zinc/46/28/71/823462871.db2.gz AOARIPXYLVEVEB-ZDUSSCGKSA-N 1 0 385.335 4.284 20 0 GIADRO C[N@H+](Cc1cn(-c2ccccc2)nc1-c1ccccc1)Cc1ccc(C(N)=O)cc1 ZINC000027362844 820231517 /nfs/dbraw/zinc/23/15/17/820231517.db2.gz RVCNJKRAYCFKHW-UHFFFAOYSA-N 1 0 396.494 4.270 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)NC[C@H](O)c1ccc(F)cc1)C1CCCCC1 ZINC000058859236 823463005 /nfs/dbraw/zinc/46/30/05/823463005.db2.gz FRVFXAPJHSBDLY-QFIPXVFZSA-N 1 0 399.510 4.445 20 0 GIADRO CCCOc1cc(C[NH2+]C[C@]2(O)CCC[C@@H](C(F)(F)F)C2)ccc1OC ZINC000189632084 823463073 /nfs/dbraw/zinc/46/30/73/823463073.db2.gz YXQZRTSWNYMMJD-QAPCUYQASA-N 1 0 375.431 4.057 20 0 GIADRO O=C(CCc1ccccc1OC(F)(F)F)NC1CC[NH+](C2CCCC2)CC1 ZINC000177443665 823463132 /nfs/dbraw/zinc/46/31/32/823463132.db2.gz LBYDJNIAKMZMEA-UHFFFAOYSA-N 1 0 384.442 4.041 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)NCC2(c3ccccc3)CCC2)CC1 ZINC000410324218 823463260 /nfs/dbraw/zinc/46/32/60/823463260.db2.gz HRLXLOJTGPSDGU-UHFFFAOYSA-N 1 0 391.559 4.381 20 0 GIADRO Cc1cc2[nH]c(C(=O)N3CCC[N@H+](Cc4ccccc4C)CC3)cc2c(C)c1 ZINC000027389271 820237049 /nfs/dbraw/zinc/23/70/49/820237049.db2.gz XCARSRJZQPCCFH-UHFFFAOYSA-N 1 0 375.516 4.441 20 0 GIADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2ccccc2Br)CC1 ZINC000027391359 820237946 /nfs/dbraw/zinc/23/79/46/820237946.db2.gz ILYNMFTWGZFUES-UHFFFAOYSA-N 1 0 387.321 4.106 20 0 GIADRO C[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000027399101 820240126 /nfs/dbraw/zinc/24/01/26/820240126.db2.gz DAPFJXFDYRIAGK-KRWDZBQOSA-N 1 0 377.488 4.142 20 0 GIADRO COc1cc(CNCC2([NH+](C)C)CCCC2)cc(OC)c1OCc1ccccc1 ZINC000027399666 820240222 /nfs/dbraw/zinc/24/02/22/820240222.db2.gz HZGIHEJEURWMDN-UHFFFAOYSA-N 1 0 398.547 4.247 20 0 GIADRO O[C@@]1(C[NH2+]Cc2cccc(OCc3ccccn3)c2)CCC[C@@H](C(F)(F)F)C1 ZINC000189634809 823463538 /nfs/dbraw/zinc/46/35/38/823463538.db2.gz BRONQTYLRATGJV-XLIONFOSSA-N 1 0 394.437 4.234 20 0 GIADRO CC(C)[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc(N2CCCC2=O)c1)c1ccccc1 ZINC000027450985 820246256 /nfs/dbraw/zinc/24/62/56/820246256.db2.gz MBRRDAFALZALIW-VGOFRKELSA-N 1 0 379.504 4.127 20 0 GIADRO OC[C@]1(Cc2ccc(F)cc2)CC[N@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000573194700 823464238 /nfs/dbraw/zinc/46/42/38/823464238.db2.gz AGJZRJDOHLTPBR-QFIPXVFZSA-N 1 0 399.897 4.296 20 0 GIADRO COc1ccc(C(=O)C(C(=S)N[C@@H]2CCCC[C@H]2C)[n+]2ccccc2)cc1 ZINC000027487696 820252081 /nfs/dbraw/zinc/25/20/81/820252081.db2.gz PANIEMADHKZBPM-VQIMIIECSA-O 1 0 383.537 4.090 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)[C@H](C)Sc1ccc(C)cc1)[NH+]1CCCC1 ZINC000027571251 820260728 /nfs/dbraw/zinc/26/07/28/820260728.db2.gz MPTZTJDKYMFFHT-RXVVDRJESA-N 1 0 398.572 4.438 20 0 GIADRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3ccc4ccc(Cl)cc4n3)C2)CC1 ZINC000177449071 823464775 /nfs/dbraw/zinc/46/47/75/823464775.db2.gz ATNQUSODYZOCQN-KRWDZBQOSA-N 1 0 385.939 4.472 20 0 GIADRO O=C(CCSc1ccccc1F)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000058880260 823465381 /nfs/dbraw/zinc/46/53/81/823465381.db2.gz CUZMLIAQKCJHSV-UHFFFAOYSA-N 1 0 378.557 4.423 20 0 GIADRO O=C(Nc1ccccc1)[C@H]1CCC[N@H+](CCCc2nc(-c3cccs3)no2)C1 ZINC000027572804 820261141 /nfs/dbraw/zinc/26/11/41/820261141.db2.gz PTXOEBVKDFRSRI-INIZCTEOSA-N 1 0 396.516 4.081 20 0 GIADRO C[C@@H](Oc1ccc(F)cc1)C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000027573446 820261171 /nfs/dbraw/zinc/26/11/71/820261171.db2.gz HGXWDCQFYPLANE-VQIMIIECSA-N 1 0 390.524 4.244 20 0 GIADRO CC1CC[NH+]([C@@H](CNC(=O)c2c[nH]nc2-c2ccccc2)c2cccs2)CC1 ZINC000027574903 820261884 /nfs/dbraw/zinc/26/18/84/820261884.db2.gz UFVBINJDCMENFF-IBGZPJMESA-N 1 0 394.544 4.341 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)CCc1ccc(OC)cc1)c1ccccc1Cl ZINC000027578555 820262766 /nfs/dbraw/zinc/26/27/66/820262766.db2.gz WHONRLOOEQHUES-OAQYLSRUSA-N 1 0 388.939 4.481 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1ccc(SC(F)(F)F)cc1)Cc1ccccc1 ZINC000027586566 820264030 /nfs/dbraw/zinc/26/40/30/820264030.db2.gz WGGFUISUAUVURH-INIZCTEOSA-N 1 0 382.451 4.201 20 0 GIADRO Cc1ccc(Cl)c(OCC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000027602896 820265656 /nfs/dbraw/zinc/26/56/56/820265656.db2.gz PBXFUHFQRMRUFW-INIZCTEOSA-N 1 0 378.925 4.042 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000410334115 823466207 /nfs/dbraw/zinc/46/62/07/823466207.db2.gz XDFRTEZLIRRXEK-UHFFFAOYSA-N 1 0 381.564 4.227 20 0 GIADRO Cn1c2ccccc2c2cc(C(=O)NC[C@@H](c3cccs3)[NH+](C)C)sc21 ZINC000027674808 820273610 /nfs/dbraw/zinc/27/36/10/820273610.db2.gz RZLPBCAVYKCQII-INIZCTEOSA-N 1 0 383.542 4.487 20 0 GIADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)CCC(=O)c2ccc(Cl)cc2)C1 ZINC000058882826 823466438 /nfs/dbraw/zinc/46/64/38/823466438.db2.gz GUDAZTWVXUQWEF-JTDSTZFVSA-N 1 0 376.928 4.167 20 0 GIADRO O=C(NC1CC[NH+](C2CCCC2)CC1)[C@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000177457623 823467003 /nfs/dbraw/zinc/46/70/03/823467003.db2.gz JRJGBRMVLDAZQB-MOPGFXCFSA-N 1 0 391.353 4.076 20 0 GIADRO Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000027755807 820282690 /nfs/dbraw/zinc/28/26/90/820282690.db2.gz PSCGELHANJZFLP-CYBMUJFWSA-N 1 0 377.941 4.376 20 0 GIADRO COc1cccc([C@@H](CNC(=O)Nc2cccc(OC(F)(F)F)c2)[NH+](C)C)c1 ZINC000058890588 823467277 /nfs/dbraw/zinc/46/72/77/823467277.db2.gz XVNXJRXZWICGBR-QGZVFWFLSA-N 1 0 397.397 4.018 20 0 GIADRO O=C(CC[NH+]1CCC(c2ccsc2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000189651395 823467803 /nfs/dbraw/zinc/46/78/03/823467803.db2.gz ZEERUIRKQOGZRL-UHFFFAOYSA-N 1 0 377.441 4.004 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000573223519 823467846 /nfs/dbraw/zinc/46/78/46/823467846.db2.gz BEHFSAXMLMVOIK-HUUCEWRRSA-N 1 0 390.528 4.008 20 0 GIADRO O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)c1ccc(Br)o1 ZINC000027918551 820296640 /nfs/dbraw/zinc/29/66/40/820296640.db2.gz YZWRCSGZGSBNPH-UHFFFAOYSA-N 1 0 393.281 4.159 20 0 GIADRO Cc1sc(-c2ccco2)nc1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000027935234 820298750 /nfs/dbraw/zinc/29/87/50/820298750.db2.gz DSTRZKJJPQIWJL-UHFFFAOYSA-N 1 0 395.528 4.148 20 0 GIADRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)c1ccccc1C(F)(F)F ZINC000027933483 820298883 /nfs/dbraw/zinc/29/88/83/820298883.db2.gz VFPXSIRPDICFRU-UHFFFAOYSA-N 1 0 376.422 4.142 20 0 GIADRO Cc1ccc(C(C)C)c(OCC(=O)NC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000027938318 820299315 /nfs/dbraw/zinc/29/93/15/820299315.db2.gz WRUUZYGJAJLXNC-UHFFFAOYSA-N 1 0 394.559 4.321 20 0 GIADRO C[C@@H]1c2cccn2CCN1C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000410343697 823468359 /nfs/dbraw/zinc/46/83/59/823468359.db2.gz HFZZUWHYPIEYSB-RBUKOAKNSA-N 1 0 380.536 4.149 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Nc1ccc2c(c1)OCCO2 ZINC000410346674 823469042 /nfs/dbraw/zinc/46/90/42/823469042.db2.gz WGUBWBLCSCTMCD-KRWDZBQOSA-N 1 0 395.503 4.154 20 0 GIADRO COCCOc1cc(C)ccc1C[NH2+][C@H]1CCc2[nH]c3ccc(OC)cc3c2C1 ZINC000573238356 823469146 /nfs/dbraw/zinc/46/91/46/823469146.db2.gz CNRGYENPBPDNPB-SFHVURJKSA-N 1 0 394.515 4.157 20 0 GIADRO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1cc(Br)ccc1O ZINC000028165874 820314781 /nfs/dbraw/zinc/31/47/81/820314781.db2.gz WYJZXUPVSAECKX-UHFFFAOYSA-N 1 0 375.266 4.003 20 0 GIADRO Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3ccc(C[NH+]4CCCC4)cc3)c12 ZINC000028176927 820316189 /nfs/dbraw/zinc/31/61/89/820316189.db2.gz RCVSTYRBWGZXKE-UHFFFAOYSA-N 1 0 389.503 4.002 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCCN(CC(C)(C)C)C2=O)cc1OCC ZINC000460660463 823469639 /nfs/dbraw/zinc/46/96/39/823469639.db2.gz SSWGOFXFHQAUJS-FUHWJXTLSA-N 1 0 376.541 4.172 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCCN(CC(C)(C)C)C2=O)cc1OCC ZINC000460660465 823469658 /nfs/dbraw/zinc/46/96/58/823469658.db2.gz SSWGOFXFHQAUJS-WMZOPIPTSA-N 1 0 376.541 4.172 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc3ccccc3c2)c1 ZINC000028336837 820326187 /nfs/dbraw/zinc/32/61/87/820326187.db2.gz LPXFXCYRWAGAAC-HZPDHXFCSA-N 1 0 375.472 4.476 20 0 GIADRO CC1CC[NH+](Cc2ccc(CNC(=O)N[C@H]3CCCc4occc43)cc2)CC1 ZINC000410349607 823469964 /nfs/dbraw/zinc/46/99/64/823469964.db2.gz QXUPIJWVGIAPNN-NRFANRHFSA-N 1 0 381.520 4.388 20 0 GIADRO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1F ZINC000028350322 820328452 /nfs/dbraw/zinc/32/84/52/820328452.db2.gz OOHLQZVZSRNCIY-CABCVRRESA-N 1 0 383.467 4.160 20 0 GIADRO O=C(c1csc(-c2cccc(Cl)c2)n1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000058919494 823470252 /nfs/dbraw/zinc/47/02/52/823470252.db2.gz ZUVBXASMOGGNJF-INIZCTEOSA-N 1 0 375.925 4.164 20 0 GIADRO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@H](c4nnc5n4CCCCC5)C3)co2)cc1 ZINC000058918826 823470374 /nfs/dbraw/zinc/47/03/74/823470374.db2.gz LWJAXHNHDKZJMF-IBGZPJMESA-N 1 0 391.519 4.348 20 0 GIADRO CCCOc1c(Cl)cc(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1OCC ZINC000058919914 823470765 /nfs/dbraw/zinc/47/07/65/823470765.db2.gz LRSVXAKLMZHRSM-KRWDZBQOSA-N 1 0 394.943 4.228 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1cnn([C@H](C)C2CC2)c1)c1cccc(OC)c1 ZINC000189674090 823472745 /nfs/dbraw/zinc/47/27/45/823472745.db2.gz FLGRZXHREVOJMG-IERDGZPVSA-N 1 0 399.539 4.067 20 0 GIADRO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1ccc(-c2ccccc2)cc1 ZINC000028727447 820353603 /nfs/dbraw/zinc/35/36/03/820353603.db2.gz QAHFKTVYNQOULY-QGZVFWFLSA-N 1 0 380.513 4.194 20 0 GIADRO Cc1ccc[n+](C(C(=O)c2ccc(Cl)c(Cl)c2)C(=S)NC2CC2)c1 ZINC000028782366 820357496 /nfs/dbraw/zinc/35/74/96/820357496.db2.gz CMQYLUBRGLGVOP-UHFFFAOYSA-O 1 0 380.320 4.280 20 0 GIADRO Cc1ccc(-n2ncc(C(=O)NC[C@H](c3ccccc3)[NH+](C)C)c2C(C)C)cc1 ZINC000028838881 820362398 /nfs/dbraw/zinc/36/23/98/820362398.db2.gz TUYFUNDMZKHDAS-JOCHJYFZSA-N 1 0 390.531 4.337 20 0 GIADRO C[N@H+](CCOc1ccccc1)CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000028845589 820363109 /nfs/dbraw/zinc/36/31/09/820363109.db2.gz TVJDMFWOXSALSF-HSZRJFAPSA-N 1 0 394.540 4.355 20 0 GIADRO COc1ccccc1C[N@H+](C)CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000028852265 820363879 /nfs/dbraw/zinc/36/38/79/820363879.db2.gz PPGNZOHLBDMOBR-UHFFFAOYSA-N 1 0 388.511 4.423 20 0 GIADRO COc1ccccc1C[N@H+](C)CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000028852268 820364032 /nfs/dbraw/zinc/36/40/32/820364032.db2.gz DDGMYRPAPFHSBM-HSZRJFAPSA-N 1 0 394.540 4.484 20 0 GIADRO Cc1ccc(-c2nc(NC(=O)c3ccc(C[NH+]4CCCCC4)cc3)n[nH]2)cc1 ZINC000028856242 820364737 /nfs/dbraw/zinc/36/47/37/820364737.db2.gz BSVFOSXYNLRQPY-UHFFFAOYSA-N 1 0 375.476 4.018 20 0 GIADRO Cc1cccc2oc(CC[NH2+][C@@H](C)c3ccc(-n4cncn4)cc3Cl)nc21 ZINC000410360853 823474095 /nfs/dbraw/zinc/47/40/95/823474095.db2.gz RPSIZGLRMMEEER-AWEZNQCLSA-N 1 0 381.867 4.264 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@@H](O)COc2ccc(C(C)(C)C)cc2)c1 ZINC000028917978 820372671 /nfs/dbraw/zinc/37/26/71/820372671.db2.gz GBSHMYWDINXMDE-HRAATJIYSA-N 1 0 384.520 4.033 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)c1 ZINC000028918113 820372709 /nfs/dbraw/zinc/37/27/09/820372709.db2.gz VARHAKYGTBLIAH-WBMJQRKESA-N 1 0 397.302 4.042 20 0 GIADRO CCCCCCOc1ccc([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc1OC ZINC000028923035 820373637 /nfs/dbraw/zinc/37/36/37/820373637.db2.gz YFUCKDVAKLAWDA-HXUWFJFHSA-N 1 0 393.491 4.291 20 0 GIADRO COc1ccc(CCC(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1F ZINC000058948739 823474244 /nfs/dbraw/zinc/47/42/44/823474244.db2.gz SBBHZLWZYDUAGN-GOSISDBHSA-N 1 0 398.522 4.315 20 0 GIADRO C[C@H](Cc1cccs1)NC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000410362237 823474506 /nfs/dbraw/zinc/47/45/06/823474506.db2.gz UOHGGBVKGGHXFG-QZTJIDSGSA-N 1 0 385.577 4.410 20 0 GIADRO CC1CC[NH+](Cc2ccccc2CNC(=O)Cc2c[nH]c3ccccc23)CC1 ZINC000058951093 823474640 /nfs/dbraw/zinc/47/46/40/823474640.db2.gz DESCOAVYHDELNL-UHFFFAOYSA-N 1 0 375.516 4.259 20 0 GIADRO CC1CC[NH+](Cc2ccccc2CNC(=O)[C@H]2Cc3cc(Cl)ccc3O2)CC1 ZINC000058951120 823474688 /nfs/dbraw/zinc/47/46/88/823474688.db2.gz SFNIRYMWIVSXCK-JOCHJYFZSA-N 1 0 398.934 4.192 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCC[C@H]1c1cccn1C ZINC000410362276 823474832 /nfs/dbraw/zinc/47/48/32/823474832.db2.gz UWRDCYQHPJTJTD-CVDCTZTESA-N 1 0 394.563 4.446 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc(C(F)(F)F)nc2C)cc1 ZINC000029062717 820388641 /nfs/dbraw/zinc/38/86/41/820388641.db2.gz WWOWWAUCQQQJCJ-UHFFFAOYSA-N 1 0 379.426 4.181 20 0 GIADRO Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+][C@@H](C)Cn1ncc2ccccc2c1=O ZINC000573283221 823475455 /nfs/dbraw/zinc/47/54/55/823475455.db2.gz DJZIBQSZFHZXLP-AOMKIAJQSA-N 1 0 386.499 4.242 20 0 GIADRO CCOCC(C)(C)C[NH2+]Cc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000573283253 823475467 /nfs/dbraw/zinc/47/54/67/823475467.db2.gz FJQWRSXSHMMWMV-UHFFFAOYSA-N 1 0 396.272 4.211 20 0 GIADRO Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+][C@@H](C)Cn1ncc2ccccc2c1=O ZINC000573283222 823475539 /nfs/dbraw/zinc/47/55/39/823475539.db2.gz DJZIBQSZFHZXLP-KSFYIVLOSA-N 1 0 386.499 4.242 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1cnn(-c2ccccc2C)c1C)c1ccsc1 ZINC000058954590 823475686 /nfs/dbraw/zinc/47/56/86/823475686.db2.gz GIOKCHNOCSACNT-OAQYLSRUSA-N 1 0 396.560 4.364 20 0 GIADRO CC(C)[C@@H](CNC(=O)CCc1c[nH]c2ccccc12)[N@@H+]1CCc2ccccc2C1 ZINC000029173997 820405378 /nfs/dbraw/zinc/40/53/78/820405378.db2.gz QLEISDPFUUIMTO-XMMPIXPASA-N 1 0 389.543 4.300 20 0 GIADRO O=C(/C=C/c1ccc(Br)o1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000029177336 820406228 /nfs/dbraw/zinc/40/62/28/820406228.db2.gz OZTINZAANSWAQL-QXLXQBSBSA-N 1 0 389.293 4.009 20 0 GIADRO O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(Br)cc1F ZINC000029178710 820406941 /nfs/dbraw/zinc/40/69/41/820406941.db2.gz VZDAUKZZEKDAQO-SFHVURJKSA-N 1 0 391.284 4.155 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H](c1nnc2ccccn21)C(C)C)CC3 ZINC000123190371 823476662 /nfs/dbraw/zinc/47/66/62/823476662.db2.gz VGWSTDXCNZSRRN-QRQCRPRQSA-N 1 0 389.503 4.063 20 0 GIADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]Cc2csc3ccccc23)cc1 ZINC000123199114 823477757 /nfs/dbraw/zinc/47/77/57/823477757.db2.gz WBUYRZQXXHHNNU-UHFFFAOYSA-N 1 0 388.558 4.222 20 0 GIADRO C[C@H](C(=O)Nc1cccc2ncccc21)[NH+]1CCC(OCC2CCCC2)CC1 ZINC000177505077 823478525 /nfs/dbraw/zinc/47/85/25/823478525.db2.gz QDEHSPDPRMPFNE-QGZVFWFLSA-N 1 0 381.520 4.233 20 0 GIADRO C[C@@H](C(=O)Nc1cccc2ncccc21)[NH+]1CCC(OCC2CCCC2)CC1 ZINC000177505060 823478585 /nfs/dbraw/zinc/47/85/85/823478585.db2.gz QDEHSPDPRMPFNE-KRWDZBQOSA-N 1 0 381.520 4.233 20 0 GIADRO CCCCN(C)C(=O)C1CC[NH+](Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000123208088 823478904 /nfs/dbraw/zinc/47/89/04/823478904.db2.gz RSMXSPQOCXHTJK-UHFFFAOYSA-N 1 0 388.943 4.201 20 0 GIADRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)Nn2cnc3ccccc32)cc1 ZINC000029337243 820438807 /nfs/dbraw/zinc/43/88/07/820438807.db2.gz ALHGHBHJLBMGNY-UHFFFAOYSA-N 1 0 399.498 4.218 20 0 GIADRO Cc1ccc(C[C@H]([NH2+][C@H]2CCCN(CC(C)(C)C)C2=O)c2ccccn2)cc1 ZINC000460686191 823479150 /nfs/dbraw/zinc/47/91/50/823479150.db2.gz FFQMJWMVSMJBOX-VXKWHMMOSA-N 1 0 379.548 4.301 20 0 GIADRO CC(=O)c1ccc(NC(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000410375634 823480350 /nfs/dbraw/zinc/48/03/50/823480350.db2.gz PODRJFGZIVHCSO-QGZVFWFLSA-N 1 0 379.504 4.443 20 0 GIADRO Cc1sc(-c2ccco2)nc1C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000059001219 823481311 /nfs/dbraw/zinc/48/13/11/823481311.db2.gz HFEIRFGVZNBZMN-UHFFFAOYSA-N 1 0 387.480 4.055 20 0 GIADRO CC(C)c1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)nn1C(C)(C)C ZINC000059000434 823481327 /nfs/dbraw/zinc/48/13/27/823481327.db2.gz HQHYFIMWNDRCBY-UHFFFAOYSA-N 1 0 388.531 4.105 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)C[N@H+](C)CC2CCCCC2)c(C(F)(F)F)c1 ZINC000029523793 820468614 /nfs/dbraw/zinc/46/86/14/820468614.db2.gz XWPONXXWJLJQDK-UHFFFAOYSA-N 1 0 385.430 4.114 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)CCCc1c[nH]c2ccccc12 ZINC000059003115 823481607 /nfs/dbraw/zinc/48/16/07/823481607.db2.gz XZYMPQUQWVPNQJ-UHFFFAOYSA-N 1 0 381.495 4.220 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C)c(C)c3)nc2)C1 ZINC000177527040 823482625 /nfs/dbraw/zinc/48/26/25/823482625.db2.gz RIDOBLSJXXQAKE-SFHVURJKSA-N 1 0 382.508 4.296 20 0 GIADRO CC(C)Oc1ccc(/C=C/C(=O)N(C)C2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000059008876 823482787 /nfs/dbraw/zinc/48/27/87/823482787.db2.gz HRSXACHXMLSVDZ-RMKNXTFCSA-N 1 0 393.531 4.005 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)Nc1ccccc1OC(F)F ZINC000410389198 823483592 /nfs/dbraw/zinc/48/35/92/823483592.db2.gz BDGZDCABXGGMGH-UHFFFAOYSA-N 1 0 377.435 4.450 20 0 GIADRO CC[C@@H](CNC(=O)c1nc(-c2cccs2)oc1C)[N@@H+]1CCc2ccccc2C1 ZINC000059010596 823483014 /nfs/dbraw/zinc/48/30/14/823483014.db2.gz GNXOZZQFNOSXPV-SFHVURJKSA-N 1 0 395.528 4.278 20 0 GIADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)Nc1cnn([C@H](C)C2CC2)c1 ZINC000189759498 823489368 /nfs/dbraw/zinc/48/93/68/823489368.db2.gz YLVFPXFZCHYFMV-MRXNPFEDSA-N 1 0 389.569 4.292 20 0 GIADRO Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000059037480 823484142 /nfs/dbraw/zinc/48/41/42/823484142.db2.gz JAWUBFIXGWIKFU-MSOLQXFVSA-N 1 0 385.508 4.331 20 0 GIADRO Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000177534029 823484626 /nfs/dbraw/zinc/48/46/26/823484626.db2.gz TYNWJTDCHZKWAR-RYUDHWBXSA-N 1 0 385.455 4.226 20 0 GIADRO CC[C@H](c1ccncc1)N(C)C(=O)N[C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000123246339 823484717 /nfs/dbraw/zinc/48/47/17/823484717.db2.gz YKLZHYQSOZORMD-IIBYNOLFSA-N 1 0 377.492 4.429 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(Sc3nc(C)cs3)cc2)C1 ZINC000177537837 823485523 /nfs/dbraw/zinc/48/55/23/823485523.db2.gz UMPKGWIPLZKUJJ-OAHLLOKOSA-N 1 0 390.578 4.408 20 0 GIADRO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1c(F)cc(C(F)(F)F)cc1F ZINC000573371203 823485733 /nfs/dbraw/zinc/48/57/33/823485733.db2.gz QVUJYJPZXNVKKI-UHFFFAOYSA-N 1 0 390.396 4.368 20 0 GIADRO Cc1ccc(NC(=O)NCc2ccc(OCC[NH+](C)C)cc2)cc1C(F)(F)F ZINC000410396074 823485818 /nfs/dbraw/zinc/48/58/18/823485818.db2.gz TYABNFBWPJRMHE-UHFFFAOYSA-N 1 0 395.425 4.276 20 0 GIADRO COc1ccc2c(C[N@@H+]3CCC[C@@H](c4nc5ccccc5o4)C3)cc(=O)oc2c1 ZINC000029825313 820524738 /nfs/dbraw/zinc/52/47/38/820524738.db2.gz RRNMCDRPLQOLCG-OAHLLOKOSA-N 1 0 390.439 4.322 20 0 GIADRO CC[C@](C)(O)C[N@H+](Cc1ccccc1)Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000189745385 823486247 /nfs/dbraw/zinc/48/62/47/823486247.db2.gz LYHWMRMTEFVBJM-DEOSSOPVSA-N 1 0 380.532 4.086 20 0 GIADRO CCOc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 ZINC000029827466 820526758 /nfs/dbraw/zinc/52/67/58/820526758.db2.gz PWUHONDYRDCIAM-DLBZAZTESA-N 1 0 393.487 4.433 20 0 GIADRO C[C@H](Sc1ccc(Cl)cc1)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000029840744 820530038 /nfs/dbraw/zinc/53/00/38/820530038.db2.gz XXFYMNXVEXUSFN-INIZCTEOSA-N 1 0 388.964 4.385 20 0 GIADRO COc1cc(C[N@@H+]2CCC[C@H]2Cn2cnc3ccccc32)ccc1OC(C)C ZINC000573381442 823486679 /nfs/dbraw/zinc/48/66/79/823486679.db2.gz GCFYINWJUJVZAP-IBGZPJMESA-N 1 0 379.504 4.497 20 0 GIADRO C[C@H](C(=O)Nc1ccccc1Br)[N@H+](C)CCCOc1ccccc1 ZINC000029855259 820533407 /nfs/dbraw/zinc/53/34/07/820533407.db2.gz PIXRONNIEKUUIG-OAHLLOKOSA-N 1 0 391.309 4.177 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(CSc3ccccn3)c2)C1 ZINC000177544506 823487186 /nfs/dbraw/zinc/48/71/86/823487186.db2.gz LNVAGCJVWKHDRL-GOSISDBHSA-N 1 0 384.549 4.179 20 0 GIADRO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000177554768 823489768 /nfs/dbraw/zinc/48/97/68/823489768.db2.gz YGUMAVBRRQMICC-UTKZUKDTSA-N 1 0 391.540 4.451 20 0 GIADRO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)[C@@H]1c1ccccc1 ZINC000189750181 823487536 /nfs/dbraw/zinc/48/75/36/823487536.db2.gz YFGLAOJFGZBDRJ-WBVHZDCISA-N 1 0 385.418 4.067 20 0 GIADRO COc1ccccc1NC(=O)C1CC[NH+](CCOc2cc(C)ccc2C)CC1 ZINC000029904526 820544653 /nfs/dbraw/zinc/54/46/53/820544653.db2.gz YSBLWKGWRKNWEC-UHFFFAOYSA-N 1 0 382.504 4.042 20 0 GIADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2cc(NC(=O)CC(C)(C)C)ccc2Cl)C1 ZINC000177547541 823487855 /nfs/dbraw/zinc/48/78/55/823487855.db2.gz DQUOQJJPJCVUQV-HOCLYGCPSA-N 1 0 393.959 4.317 20 0 GIADRO CC(C)CC(=O)Nc1ccc(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)cc1F ZINC000460706975 823489004 /nfs/dbraw/zinc/48/90/04/823489004.db2.gz CHSWWKRFUWVMHV-QGZVFWFLSA-N 1 0 391.531 4.052 20 0 GIADRO CC(=O)Nc1ccc2c(C[N@@H+]3CCC[C@H]3c3ccc(C)cc3)cc(=O)oc2c1 ZINC000030003387 820566147 /nfs/dbraw/zinc/56/61/47/820566147.db2.gz HELXYIIRWXBFRQ-NRFANRHFSA-N 1 0 376.456 4.397 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1cnn([C@H](C)C2CC2)c1)c1ccsc1 ZINC000189785354 823494017 /nfs/dbraw/zinc/49/40/17/823494017.db2.gz XSRHALHUDUNAAM-KDOFPFPSSA-N 1 0 375.542 4.120 20 0 GIADRO Cn1ccc(C[NH2+]Cc2ccc(NC(=O)CCCOc3ccccc3)cc2)c1 ZINC000123309815 823494357 /nfs/dbraw/zinc/49/43/57/823494357.db2.gz LOYZEZMXGIPHNT-UHFFFAOYSA-N 1 0 377.488 4.113 20 0 GIADRO CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000189788327 823494471 /nfs/dbraw/zinc/49/44/71/823494471.db2.gz SULMNBYSRHLMKZ-INIZCTEOSA-N 1 0 393.400 4.086 20 0 GIADRO Cc1sc(-c2ccco2)nc1C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000030231892 820591090 /nfs/dbraw/zinc/59/10/90/820591090.db2.gz DLQIOYCEWMQSRD-KRWDZBQOSA-N 1 0 381.501 4.278 20 0 GIADRO CCC[C@@H](C)[N@H+](C)CC(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 ZINC000030269786 820593142 /nfs/dbraw/zinc/59/31/42/820593142.db2.gz IETUSHRTWUYEDX-MSOLQXFVSA-N 1 0 381.520 4.237 20 0 GIADRO CCC[C@H](C)[N@H+](C)CC(=O)Nc1ccc(C(=O)Nc2ccc(OCC)cc2)cc1 ZINC000030269617 820593168 /nfs/dbraw/zinc/59/31/68/820593168.db2.gz YWVUQSCWPBGAFV-KRWDZBQOSA-N 1 0 397.519 4.397 20 0 GIADRO Cc1ccc(-c2ncco2)cc1NC(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000123312502 823494878 /nfs/dbraw/zinc/49/48/78/823494878.db2.gz KSDPIGKBZBBJKF-UHFFFAOYSA-N 1 0 393.512 4.451 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@@H]1c1cccc(OC)c1)CC(C)C ZINC000059296980 823490270 /nfs/dbraw/zinc/49/02/70/823490270.db2.gz ZDQRBKGNWOIIGM-PZJWPPBQSA-N 1 0 375.557 4.298 20 0 GIADRO CC[NH+]1CCN(Cc2ccc(NC(=O)[C@@H]3CCSc4ccccc43)cc2)CC1 ZINC000460710929 823491046 /nfs/dbraw/zinc/49/10/46/823491046.db2.gz VINJJRTYYPARQR-OAQYLSRUSA-N 1 0 395.572 4.042 20 0 GIADRO CC[NH+]1CCN(Cc2ccc(NC(=O)[C@H]3CCSc4ccccc43)cc2)CC1 ZINC000460710928 823491051 /nfs/dbraw/zinc/49/10/51/823491051.db2.gz VINJJRTYYPARQR-NRFANRHFSA-N 1 0 395.572 4.042 20 0 GIADRO COc1cccc(NC(=O)[C@@H]([NH2+]CCOc2cccc(F)c2)c2ccccc2)c1 ZINC000030501121 820624646 /nfs/dbraw/zinc/62/46/46/820624646.db2.gz JUFNIMJJENPHQD-QFIPXVFZSA-N 1 0 394.446 4.183 20 0 GIADRO Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000030508236 820626734 /nfs/dbraw/zinc/62/67/34/820626734.db2.gz WIWUFCWYXRYIPE-KRWDZBQOSA-N 1 0 386.923 4.313 20 0 GIADRO C[C@H]([NH2+]CC1(N2CCSCC2)CCCC1)C(=O)Nc1ccc2ccccc2c1 ZINC000030514086 820628735 /nfs/dbraw/zinc/62/87/35/820628735.db2.gz KGWZTLQXJNVCBK-SFHVURJKSA-N 1 0 397.588 4.118 20 0 GIADRO Cc1ccc(OCc2nc(C[NH2+][C@H](C)[C@@H](O)Cc3ccccc3)cs2)cc1 ZINC000123295012 823492121 /nfs/dbraw/zinc/49/21/21/823492121.db2.gz UETNVSYXSORGJQ-UTKZUKDTSA-N 1 0 382.529 4.112 20 0 GIADRO COc1cc([C@H](C)[NH2+]C[C@@H](O)COc2cc(C)ccc2C)ccc1OC(C)C ZINC000030533688 820634055 /nfs/dbraw/zinc/63/40/55/820634055.db2.gz DPMDRDJJZGZMCO-AZUAARDMSA-N 1 0 387.520 4.190 20 0 GIADRO CC[C@@H]([NH2+]CCC(=O)NC(=O)Nc1ccccc1)c1ccccc1OC(F)F ZINC000030534844 820634530 /nfs/dbraw/zinc/63/45/30/820634530.db2.gz JSVJNTAKABPUEW-MRXNPFEDSA-N 1 0 391.418 4.067 20 0 GIADRO Cc1cc(C)c(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)c(C)c1 ZINC000123298349 823492685 /nfs/dbraw/zinc/49/26/85/823492685.db2.gz PYSYIJFIDFYIRZ-UXHICEINSA-N 1 0 395.547 4.126 20 0 GIADRO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1c[nH]cc1-c1ccc(F)cc1 ZINC000460714740 823492738 /nfs/dbraw/zinc/49/27/38/823492738.db2.gz DNXDGXOMUAQJHH-FQEVSTJZSA-N 1 0 377.463 4.215 20 0 GIADRO O=C(Nc1cc(Cl)ccc1O)C1CC[NH+](CCCCC2CCOCC2)CC1 ZINC000410421521 823492790 /nfs/dbraw/zinc/49/27/90/823492790.db2.gz JOJUXYMSARFAQZ-UHFFFAOYSA-N 1 0 394.943 4.293 20 0 GIADRO CC[C@H]([NH2+]CCc1cccc(C(=O)NC)c1)c1ccc(OC(F)(F)F)cc1 ZINC000573467351 823493463 /nfs/dbraw/zinc/49/34/63/823493463.db2.gz TYTWZWUQVVKOFS-SFHVURJKSA-N 1 0 380.410 4.228 20 0 GIADRO C[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccc(OC(F)F)cc1 ZINC000123303307 823493486 /nfs/dbraw/zinc/49/34/86/823493486.db2.gz VUOLZXWWCIUZOZ-ZSZQSSIHSA-N 1 0 393.478 4.007 20 0 GIADRO Cc1c(C[NH2+]Cc2ccc(N3CCCC3=O)cc2)sc2nc(C)nc(C)c12 ZINC000030628572 820653012 /nfs/dbraw/zinc/65/30/12/820653012.db2.gz YOWGASSIGHLWJJ-UHFFFAOYSA-N 1 0 380.517 4.033 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2ccc(OCc3cccnc3)cc2)c1 ZINC000030630177 820653757 /nfs/dbraw/zinc/65/37/57/820653757.db2.gz WGOGILNAWSOWTM-KRWDZBQOSA-N 1 0 375.472 4.470 20 0 GIADRO Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000030631398 820654169 /nfs/dbraw/zinc/65/41/69/820654169.db2.gz HXDUTRDDHPFVBH-IBGZPJMESA-N 1 0 381.907 4.295 20 0 GIADRO Cc1ccc(S(=O)(=O)N2CCC([NH2+]Cc3ccc4ccccc4c3)CC2)cc1 ZINC000030653575 820659299 /nfs/dbraw/zinc/65/92/99/820659299.db2.gz MCTVKNQJWCSFHW-UHFFFAOYSA-N 1 0 394.540 4.091 20 0 GIADRO Cc1cc(C)c(C[NH2+]Cc2ccccc2S(=O)(=O)N2CCCCC2)cc1C ZINC000030660083 820659962 /nfs/dbraw/zinc/65/99/62/820659962.db2.gz YEJJTBWRFTUDIB-UHFFFAOYSA-N 1 0 386.561 4.076 20 0 GIADRO COc1ccc(C(=O)Nc2cccc(C[NH2+]C[C@@H](CC(C)C)N(C)C)c2)cc1 ZINC000030663780 820661656 /nfs/dbraw/zinc/66/16/56/820661656.db2.gz XEVAVKNEQPHLJH-OAQYLSRUSA-N 1 0 383.536 4.013 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2c[nH]c(=O)c3ccccc23)cc1 ZINC000189796475 823496272 /nfs/dbraw/zinc/49/62/72/823496272.db2.gz FGIXUYIHSLLLTL-INIZCTEOSA-N 1 0 375.472 4.155 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CCc1nc(C(F)(F)F)cs1)CC3 ZINC000123329631 823497160 /nfs/dbraw/zinc/49/71/60/823497160.db2.gz AKGQAQCHESMSQL-NSHDSACASA-N 1 0 395.450 4.341 20 0 GIADRO Brc1ccccc1-c1nnc(C[N@@H+]2CC[C@H](c3ccccc3)C2)o1 ZINC000030824642 820688306 /nfs/dbraw/zinc/68/83/06/820688306.db2.gz YEHBDYITIQXYEA-HNNXBMFYSA-N 1 0 384.277 4.489 20 0 GIADRO COc1cc(C)c(CN(C)C(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1OC ZINC000030861999 820695985 /nfs/dbraw/zinc/69/59/85/820695985.db2.gz ANKHLCORMZYYFF-UHFFFAOYSA-N 1 0 396.531 4.270 20 0 GIADRO CSc1cccc(N(C(=O)c2cccc3c2O[C@@H](C)C3)C2CC[NH+](C)CC2)c1 ZINC000410469715 823498087 /nfs/dbraw/zinc/49/80/87/823498087.db2.gz OBBAWBRECZDXNM-INIZCTEOSA-N 1 0 396.556 4.473 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1ccc(C2N=NC(=S)O2)cc1 ZINC000123338902 823498312 /nfs/dbraw/zinc/49/83/12/823498312.db2.gz WMJLVKJRKZOLAA-UHFFFAOYSA-N 1 0 394.500 4.264 20 0 GIADRO Fc1ccccc1-c1ccc(C[NH2+]Cc2ccccc2Cn2cncn2)s1 ZINC000030900730 820705238 /nfs/dbraw/zinc/70/52/38/820705238.db2.gz GVXBDHTXRKSXCX-UHFFFAOYSA-N 1 0 378.476 4.484 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)c1ccc2ccccc2n1)[NH+]1CCCCC1 ZINC000059782513 823498685 /nfs/dbraw/zinc/49/86/85/823498685.db2.gz MNGCUBCEHBQAMH-JOCHJYFZSA-N 1 0 389.499 4.200 20 0 GIADRO CC[C@@H]([NH2+]Cc1cc2c(c(Br)c1)OCO2)c1ccccc1OC ZINC000030904893 820705780 /nfs/dbraw/zinc/70/57/80/820705780.db2.gz JSWBUQXINBQUBY-OAHLLOKOSA-N 1 0 378.266 4.427 20 0 GIADRO Cn1nccc1C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000030906834 820705835 /nfs/dbraw/zinc/70/58/35/820705835.db2.gz BNPQWCLUSOZZRR-UHFFFAOYSA-N 1 0 391.906 4.275 20 0 GIADRO c1cn(-c2ncccc2C[NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)cn1 ZINC000030902522 820705851 /nfs/dbraw/zinc/70/58/51/820705851.db2.gz CMLAIRXIVXIMAI-UHFFFAOYSA-N 1 0 387.468 4.427 20 0 GIADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)Cc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000410483278 823498732 /nfs/dbraw/zinc/49/87/32/823498732.db2.gz MPZWPDSXXXOEQT-PXNSSMCTSA-N 1 0 394.987 4.162 20 0 GIADRO Cc1c([C@@H](C)[NH2+]Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)cnn1C ZINC000030909552 820707588 /nfs/dbraw/zinc/70/75/88/820707588.db2.gz LDPZRBGDQLDNGI-CQSZACIVSA-N 1 0 382.895 4.485 20 0 GIADRO Cc1c(C[NH2+]Cc2cccc(CN3CCCC3=O)c2)sc2nc(C)nc(C)c12 ZINC000030915020 820708287 /nfs/dbraw/zinc/70/82/87/820708287.db2.gz WFFHSFZRBFCDSL-UHFFFAOYSA-N 1 0 394.544 4.029 20 0 GIADRO COc1ccc2cc(C[NH2+]C[C@@H](c3cccc(C)c3)N3CCOCC3)ccc2c1 ZINC000030915783 820708312 /nfs/dbraw/zinc/70/83/12/820708312.db2.gz UZERPFNTTPCZCA-VWLOTQADSA-N 1 0 390.527 4.320 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(Cl)c3cc(Cl)ccc3n2)[C@@H](C)C1 ZINC000410511450 823500544 /nfs/dbraw/zinc/50/05/44/823500544.db2.gz GUFPKMIOLXMNHO-KPZWWZAWSA-N 1 0 380.319 4.344 20 0 GIADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2ccc(OCc3ccccn3)cc2)C1 ZINC000460733356 823499114 /nfs/dbraw/zinc/49/91/14/823499114.db2.gz ZEBXMLAXHNRHRR-WOJBJXKFSA-N 1 0 395.547 4.149 20 0 GIADRO O=C(NCc1ccccc1F)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000031092710 820739045 /nfs/dbraw/zinc/73/90/45/820739045.db2.gz QRGVEZIPBQAOSM-IBGZPJMESA-N 1 0 375.875 4.115 20 0 GIADRO Cc1cccc(C)c1NC(=O)C[NH2+][C@H](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000123388489 823504313 /nfs/dbraw/zinc/50/43/13/823504313.db2.gz COWXDOYTSLSOSH-MSOLQXFVSA-N 1 0 389.540 4.010 20 0 GIADRO CCOc1ccccc1OCCCC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000059989800 823504399 /nfs/dbraw/zinc/50/43/99/823504399.db2.gz ZSMKBTKMXNAESN-PZJWPPBQSA-N 1 0 396.531 4.196 20 0 GIADRO Cc1nc(Cc2ccccc2)sc1C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000059990841 823504403 /nfs/dbraw/zinc/50/44/03/823504403.db2.gz GMXGYEMRMJATQO-MRXNPFEDSA-N 1 0 385.577 4.283 20 0 GIADRO CC[NH2+]Cc1cccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C(C)C)c1 ZINC000123391904 823504679 /nfs/dbraw/zinc/50/46/79/823504679.db2.gz YJYBRUXGMHERAG-UHFFFAOYSA-N 1 0 380.467 4.497 20 0 GIADRO CC[C@H](C(=O)Nc1ccc(C(=O)NCC[NH+](CC)CC)cc1)c1ccc(F)cc1 ZINC000460756261 823504814 /nfs/dbraw/zinc/50/48/14/823504814.db2.gz GQWSGIKQXQIHLH-NRFANRHFSA-N 1 0 399.510 4.030 20 0 GIADRO COc1ccc(C)cc1[C@H](C)NC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000031148885 820754109 /nfs/dbraw/zinc/75/41/09/820754109.db2.gz WTVUHLFRAMCABD-IBGZPJMESA-N 1 0 395.547 4.071 20 0 GIADRO COc1ccc(Cl)cc1C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000060021055 823505167 /nfs/dbraw/zinc/50/51/67/823505167.db2.gz YFEDSMVWFVYTND-UHFFFAOYSA-N 1 0 399.922 4.133 20 0 GIADRO CC(C)[C@H](NC(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000031149309 820754722 /nfs/dbraw/zinc/75/47/22/820754722.db2.gz BLVQPKODRQKPSS-QHCPKHFHSA-N 1 0 379.548 4.390 20 0 GIADRO Cc1cc(C(=O)NCCC[N@H+](C)C2CCCCC2)ccc1NC(=O)CC(C)C ZINC000460758597 823505431 /nfs/dbraw/zinc/50/54/31/823505431.db2.gz MFDZEBSDBHADPL-UHFFFAOYSA-N 1 0 387.568 4.364 20 0 GIADRO CC1CC[NH+](Cc2ccc(CNC(=O)CCc3ccc(N(C)C)cc3)cc2)CC1 ZINC000031201608 820767611 /nfs/dbraw/zinc/76/76/11/820767611.db2.gz VFWRJVYQYVKKPO-UHFFFAOYSA-N 1 0 393.575 4.234 20 0 GIADRO CCOc1ccc(CC(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000031200584 820767627 /nfs/dbraw/zinc/76/76/27/820767627.db2.gz JMOZOIWEVIVVBI-UHFFFAOYSA-N 1 0 380.532 4.176 20 0 GIADRO CC1CC[NH+](Cc2ccc(CNC(=O)c3c[nH]nc3-c3ccccc3)cc2)CC1 ZINC000031201855 820767674 /nfs/dbraw/zinc/76/76/74/820767674.db2.gz VUEZBHJFLDAOJE-UHFFFAOYSA-N 1 0 388.515 4.239 20 0 GIADRO CCCC[N@H+](CC(=O)Nc1ccc(C(=O)N(C)C)cc1)[C@@H](C)c1ccccc1 ZINC000123359809 823501374 /nfs/dbraw/zinc/50/13/74/823501374.db2.gz FRZSDKVWWMMDBN-SFHVURJKSA-N 1 0 381.520 4.190 20 0 GIADRO O=C(Nc1ccccc1OC[C@@H]1CCCCO1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000177613906 823501413 /nfs/dbraw/zinc/50/14/13/823501413.db2.gz KOZATENUMJQJSJ-ICSRJNTNSA-N 1 0 386.536 4.228 20 0 GIADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2c(F)ccc(SCC3CC3)c2F)C1 ZINC000410591077 823505800 /nfs/dbraw/zinc/50/58/00/823505800.db2.gz PMWFDAHINGHDCT-GDBMZVCRSA-N 1 0 380.504 4.023 20 0 GIADRO C[NH+](C)Cc1ccccc1NC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000031230879 820774948 /nfs/dbraw/zinc/77/49/48/820774948.db2.gz OHUBEFQDLNYPGS-UHFFFAOYSA-N 1 0 398.894 4.413 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H]2CCSc3ccccc32)CC1 ZINC000460741632 823501871 /nfs/dbraw/zinc/50/18/71/823501871.db2.gz FWUNAJNXBIMPRR-NRFANRHFSA-N 1 0 380.557 4.355 20 0 GIADRO C[C@H]1CCC[C@](CNC(=O)c2ccc(COc3ccc(F)cc3)o2)([NH+](C)C)C1 ZINC000059890589 823501853 /nfs/dbraw/zinc/50/18/53/823501853.db2.gz LVLWZQAGKHGBJZ-AOMKIAJQSA-N 1 0 388.483 4.238 20 0 GIADRO CCOc1ccc([C@H](C)NC(=O)c2ccc(C[NH+](CC)CC)cc2)cc1OC ZINC000031288767 820786475 /nfs/dbraw/zinc/78/64/75/820786475.db2.gz VXOUIVSLHNWELL-KRWDZBQOSA-N 1 0 384.520 4.427 20 0 GIADRO FC(F)(F)COc1ccccc1C[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000177618933 823502517 /nfs/dbraw/zinc/50/25/17/823502517.db2.gz ZEVWLVPKNDRNPD-GOSISDBHSA-N 1 0 387.442 4.178 20 0 GIADRO COc1ccc([C@H](CCO)[NH2+]Cc2ccc(Br)c(Cl)c2)cc1 ZINC000189824831 823502623 /nfs/dbraw/zinc/50/26/23/823502623.db2.gz ZCBRCPBEEWXUKE-KRWDZBQOSA-N 1 0 384.701 4.324 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H](C)c1noc(-c2ccccc2)n1)CC3 ZINC000123380703 823503451 /nfs/dbraw/zinc/50/34/51/823503451.db2.gz FUWIMYVBZIVDGH-GDBMZVCRSA-N 1 0 388.471 4.435 20 0 GIADRO Cc1ccc(-c2cc(C(=O)NC3CC[NH+](CCc4ccccc4)CC3)on2)cc1 ZINC000031418466 820808463 /nfs/dbraw/zinc/80/84/63/820808463.db2.gz FAVRUZWCHLTJKJ-UHFFFAOYSA-N 1 0 389.499 4.087 20 0 GIADRO Cc1ccc(-c2nc(C(=O)NC3CC[NH+](CCc4ccccc4)CC3)cs2)o1 ZINC000031418455 820808496 /nfs/dbraw/zinc/80/84/96/820808496.db2.gz VQCHTVIILZJYFG-UHFFFAOYSA-N 1 0 395.528 4.148 20 0 GIADRO Cc1ccc(-c2nc(C(=O)N3CCC[N@H+](Cc4ccccc4C)CC3)cs2)o1 ZINC000031417255 820808511 /nfs/dbraw/zinc/80/85/11/820808511.db2.gz CRPGQWOXRURGPF-UHFFFAOYSA-N 1 0 395.528 4.368 20 0 GIADRO C[C@@H]1C[C@@H](CCNC(=O)c2scnc2C(F)(F)F)C[N@@H+]1Cc1ccccc1 ZINC000410617304 823506506 /nfs/dbraw/zinc/50/65/06/823506506.db2.gz WTMSCGFMCHYABZ-UKRRQHHQSA-N 1 0 397.466 4.192 20 0 GIADRO CC(=O)c1cc(F)c(NC(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)c(F)c1 ZINC000410619446 823506660 /nfs/dbraw/zinc/50/66/60/823506660.db2.gz CAZOHMRPTUKDJG-VXGBXAGGSA-N 1 0 392.368 4.015 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)c1ccccc1C(F)(F)F)c1cccc(-n2ccnc2)c1 ZINC000189900510 823511785 /nfs/dbraw/zinc/51/17/85/823511785.db2.gz LXSABULPEQLSTM-LIRRHRJNSA-N 1 0 375.394 4.275 20 0 GIADRO COCCOc1ccccc1C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000060206430 823511800 /nfs/dbraw/zinc/51/18/00/823511800.db2.gz VENIRUZJYVOBBY-UHFFFAOYSA-N 1 0 396.531 4.018 20 0 GIADRO C[C@@H]1C[C@@H](N(C)Cc2ncc(-c3ccccc3Br)o2)CC[N@@H+]1C ZINC000123416158 823507102 /nfs/dbraw/zinc/50/71/02/823507102.db2.gz SGVLWXOYWJRFBS-KGLIPLIRSA-N 1 0 378.314 4.019 20 0 GIADRO C[C@H]1C[C@H](N(C)Cc2ncc(-c3ccccc3Br)o2)CC[N@@H+]1C ZINC000123415945 823507210 /nfs/dbraw/zinc/50/72/10/823507210.db2.gz SGVLWXOYWJRFBS-UONOGXRCSA-N 1 0 378.314 4.019 20 0 GIADRO O=C(Cc1coc(-c2ccccc2)n1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000031524796 820820931 /nfs/dbraw/zinc/82/09/31/820820931.db2.gz OHWXSICTOIICLT-UHFFFAOYSA-N 1 0 389.499 4.186 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@H](c1nc(C2CC2)no1)C(C)C)CC3 ZINC000123423755 823507718 /nfs/dbraw/zinc/50/77/18/823507718.db2.gz RZXQUVZFAAKXAJ-XOBRGWDASA-N 1 0 380.492 4.281 20 0 GIADRO O=C(Cc1ccc(Cl)c(Cl)c1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000031566061 820827366 /nfs/dbraw/zinc/82/73/66/820827366.db2.gz CEICXHXCVYWHIB-KRWDZBQOSA-N 1 0 377.315 4.317 20 0 GIADRO O=C(Cc1csc(-c2ccccc2)n1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000031566755 820827425 /nfs/dbraw/zinc/82/74/25/820827425.db2.gz IENZWOMGWBMRMC-FQEVSTJZSA-N 1 0 391.540 4.133 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)c2cccc(NC(=O)[C@H]3C[C@@H]3C)c2)cc1 ZINC000031584717 820828685 /nfs/dbraw/zinc/82/86/85/820828685.db2.gz DQFDPDFGBUTIDE-JTSKRJEESA-N 1 0 393.531 4.053 20 0 GIADRO Cc1c([N+](=O)[O-])cc(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)cc1[N+](=O)[O-] ZINC000031620955 820835486 /nfs/dbraw/zinc/83/54/86/820835486.db2.gz CXSFYRHWAJLJML-UHFFFAOYSA-N 1 0 398.419 4.050 20 0 GIADRO CC(=O)Nc1cccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)c1C ZINC000189870342 823508500 /nfs/dbraw/zinc/50/85/00/823508500.db2.gz WUUOFTVADSNCMW-FQEVSTJZSA-N 1 0 399.560 4.218 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1occc1Br ZINC000177657540 823508875 /nfs/dbraw/zinc/50/88/75/823508875.db2.gz JPJRCGUTQDHMIX-UHFFFAOYSA-N 1 0 397.700 4.090 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)c2cc(Cl)ccc2Br)c1 ZINC000123437201 823508941 /nfs/dbraw/zinc/50/89/41/823508941.db2.gz ZRDUCKPJXQRRNJ-UHFFFAOYSA-N 1 0 381.701 4.094 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1c(C)nn(-c2ccc(F)cc2)c1C)c1ccco1 ZINC000060156966 823510247 /nfs/dbraw/zinc/51/02/47/823510247.db2.gz IGBUXUOQAYHHSP-LJQANCHMSA-N 1 0 398.482 4.034 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)[C@H](C)Oc1ccc(Cl)cc1C)c1ccco1 ZINC000060157105 823510309 /nfs/dbraw/zinc/51/03/09/823510309.db2.gz PGYVLTKFLHBYLT-RDJZCZTQSA-N 1 0 378.900 4.208 20 0 GIADRO C[C@H](CNC(=O)c1ccc(-c2nc3ccccc3s2)o1)[NH+]1CCC(C)CC1 ZINC000060156545 823510435 /nfs/dbraw/zinc/51/04/35/823510435.db2.gz USFDLOHJTDRCIV-OAHLLOKOSA-N 1 0 383.517 4.407 20 0 GIADRO C[NH+]1CCC2(CCCN2C(=O)c2c(F)ccc(SCC3CC3)c2F)CC1 ZINC000410715903 823510713 /nfs/dbraw/zinc/51/07/13/823510713.db2.gz GEHXQKIIMQGKGF-UHFFFAOYSA-N 1 0 380.504 4.167 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1nnc(-c2ccccc2)s1)CC3 ZINC000123456715 823510723 /nfs/dbraw/zinc/51/07/23/823510723.db2.gz VHLBPVAFIFNVSV-OAHLLOKOSA-N 1 0 390.512 4.342 20 0 GIADRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1scnc1C(F)(F)F ZINC000410721496 823510932 /nfs/dbraw/zinc/51/09/32/823510932.db2.gz MMKLPSOYRQBAHE-CQSZACIVSA-N 1 0 385.455 4.048 20 0 GIADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)c1cc(F)c(Cl)cc1Cl ZINC000031959778 820879657 /nfs/dbraw/zinc/87/96/57/820879657.db2.gz OQZTXLSDLKFHGR-UHFFFAOYSA-N 1 0 391.339 4.224 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Cc1cc(Cl)ccc1OC)c1ccsc1 ZINC000031985794 820884067 /nfs/dbraw/zinc/88/40/67/820884067.db2.gz XUBWGBZVOGZCQP-KRWDZBQOSA-N 1 0 380.941 4.152 20 0 GIADRO O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1nccc2ccccc21 ZINC000060196752 823511584 /nfs/dbraw/zinc/51/15/84/823511584.db2.gz ILYCQBIEYAZPOQ-FQEVSTJZSA-N 1 0 379.891 4.455 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)COc1ccc2ccccc2c1)c1ccsc1 ZINC000031987124 820885034 /nfs/dbraw/zinc/88/50/34/820885034.db2.gz LUSCWVLRGSAFNK-NRFANRHFSA-N 1 0 382.529 4.479 20 0 GIADRO C[C@@H](Oc1cccc(Cl)c1)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000060240393 823512752 /nfs/dbraw/zinc/51/27/52/823512752.db2.gz MNFYRXLLSLHYTJ-OAHLLOKOSA-N 1 0 392.952 4.197 20 0 GIADRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)CCCOc1ccccc1 ZINC000060221939 823512856 /nfs/dbraw/zinc/51/28/56/823512856.db2.gz XFBFDRNRQHNUKI-UHFFFAOYSA-N 1 0 384.545 4.342 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc(OC2CCOCC2)cc1 ZINC000460789569 823513159 /nfs/dbraw/zinc/51/31/59/823513159.db2.gz KFEJLYMWIGZFOR-UHFFFAOYSA-N 1 0 396.531 4.016 20 0 GIADRO CN(Cc1cccc(Cl)c1)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000060244823 823513351 /nfs/dbraw/zinc/51/33/51/823513351.db2.gz DSBYCBJGUAQVCJ-QGZVFWFLSA-N 1 0 391.968 4.455 20 0 GIADRO O=C(Nc1cccc(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)c1)C1CCCC1 ZINC000177685549 823513367 /nfs/dbraw/zinc/51/33/67/823513367.db2.gz YKXAUTUJNQSCLT-FQEVSTJZSA-N 1 0 397.563 4.086 20 0 GIADRO CCOC(=O)c1csc(CC[NH2+][C@H](C)c2ccc3cc(OC)ccc3c2)n1 ZINC000189915472 823513426 /nfs/dbraw/zinc/51/34/26/823513426.db2.gz ODTBZVASSKNLAX-CQSZACIVSA-N 1 0 384.501 4.375 20 0 GIADRO CCOc1ccc(-c2nc(C)c(C(=O)NCC[NH+](C(C)C)C(C)C)s2)cc1 ZINC000032245411 820904820 /nfs/dbraw/zinc/90/48/20/820904820.db2.gz FTJOZFNDFRCBLW-UHFFFAOYSA-N 1 0 389.565 4.366 20 0 GIADRO COc1ccc2c(c1)CCC[C@@H]2CC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000060275437 823513974 /nfs/dbraw/zinc/51/39/74/823513974.db2.gz GJJBECFGYCKYLH-RBBKRZOGSA-N 1 0 398.591 4.476 20 0 GIADRO CC(C)c1ncsc1C(=O)Nc1ccccc1N1CCC(C[NH+](C)C)CC1 ZINC000410797304 823514372 /nfs/dbraw/zinc/51/43/72/823514372.db2.gz IRYBOPSFJNAQCE-UHFFFAOYSA-N 1 0 386.565 4.297 20 0 GIADRO Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C[NH2+]C[C@@H](C)C[C@H](C)O ZINC000123499020 823514889 /nfs/dbraw/zinc/51/48/89/823514889.db2.gz VGBHTFHXARFETR-RYUDHWBXSA-N 1 0 389.849 4.350 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cc(Cl)ccc1N1CCCCC1 ZINC000177707155 823515168 /nfs/dbraw/zinc/51/51/68/823515168.db2.gz MFYHBSPCLBFQNB-MSOLQXFVSA-N 1 0 390.959 4.421 20 0 GIADRO O=C(Cc1c(Cl)cccc1Cl)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000032398945 820933089 /nfs/dbraw/zinc/93/30/89/820933089.db2.gz GXFPHTJXWCZHLB-UHFFFAOYSA-N 1 0 377.315 4.101 20 0 GIADRO CCCOc1ccc(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc1OCC ZINC000032399474 820933676 /nfs/dbraw/zinc/93/36/76/820933676.db2.gz APHNRUWGMJCVQM-UHFFFAOYSA-N 1 0 396.531 4.052 20 0 GIADRO CC[NH2+]Cc1cccc(NC(=O)CSCc2cc(-c3cccs3)on2)c1 ZINC000123508325 823515788 /nfs/dbraw/zinc/51/57/88/823515788.db2.gz OAFXKNPNKMKGNG-UHFFFAOYSA-N 1 0 387.530 4.385 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000177718148 823516285 /nfs/dbraw/zinc/51/62/85/823516285.db2.gz LKIVIQZOYZVYEQ-JLJPHGGASA-N 1 0 384.549 4.104 20 0 GIADRO CC[C@H](CNC(=O)CCSc1ccc(OC)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000032447106 820945850 /nfs/dbraw/zinc/94/58/50/820945850.db2.gz UJUSJIXTPVHLQP-HXUWFJFHSA-N 1 0 398.572 4.131 20 0 GIADRO Cc1nc(-c2ccccn2)sc1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000032463700 820949929 /nfs/dbraw/zinc/94/99/29/820949929.db2.gz HPDYYFWNQWGURO-UHFFFAOYSA-N 1 0 392.528 4.039 20 0 GIADRO COCCOc1ccc([C@H](C)[NH2+]Cc2ccccc2-n2nc(C)cc2C)cc1 ZINC000123518423 823516649 /nfs/dbraw/zinc/51/66/49/823516649.db2.gz VFYICEBUBBDENK-IBGZPJMESA-N 1 0 379.504 4.365 20 0 GIADRO CC(C)C[C@H]1CCCC[N@@H+]1Cc1nc(C(C)(C)NC(=O)OC(C)(C)C)no1 ZINC000123521183 823516899 /nfs/dbraw/zinc/51/68/99/823516899.db2.gz QPLWUMFUVHTCQE-OAHLLOKOSA-N 1 0 380.533 4.230 20 0 GIADRO CCO[C@H](C)c1nc(CNC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)cs1 ZINC000189951733 823517192 /nfs/dbraw/zinc/51/71/92/823517192.db2.gz SYUKWBCDKATTCP-OKZBNKHCSA-N 1 0 387.593 4.487 20 0 GIADRO O=C(Nc1ccc(NC[C@@H]2CCCO2)c(F)c1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000177726843 823517391 /nfs/dbraw/zinc/51/73/91/823517391.db2.gz SKJMBFWJYPQLBI-LPHOPBHVSA-N 1 0 389.515 4.010 20 0 GIADRO Fc1cc(Br)cc(CN2CCC[C@@H](c3nnc4ccccn43)C2)c1 ZINC000177736604 823518521 /nfs/dbraw/zinc/51/85/21/823518521.db2.gz ODPWBSBYHXHIHK-CQSZACIVSA-N 1 0 389.272 4.011 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)N[C@@H]1c2ccccc2C[C@@H]1O)C1CCCCC1 ZINC000060359812 823519461 /nfs/dbraw/zinc/51/94/61/823519461.db2.gz MUAQBDJPOAMYQF-XZOQPEGZSA-N 1 0 393.531 4.231 20 0 GIADRO CCc1ccc([C@H](CNC(=O)N2CCC[C@@H]2c2csc(C)n2)[NH+](C)C)cc1 ZINC000189972753 823519773 /nfs/dbraw/zinc/51/97/73/823519773.db2.gz NXNRMDOBTCZHRX-UXHICEINSA-N 1 0 386.565 4.163 20 0 GIADRO Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000032727901 820997712 /nfs/dbraw/zinc/99/77/12/820997712.db2.gz WSBDYRDOOGYUCH-QGZVFWFLSA-N 1 0 397.906 4.206 20 0 GIADRO Cc1nc(Cc2ccc(F)cc2)sc1C(=O)NCC[NH+](C(C)C)C(C)C ZINC000032727847 820997907 /nfs/dbraw/zinc/99/79/07/820997907.db2.gz RAIGTDNYFOFNHY-UHFFFAOYSA-N 1 0 377.529 4.030 20 0 GIADRO C[C@@H](CNC(=O)c1ccc(-n2cnc3ccccc32)cc1)[N@@H+]1CCCC[C@@H]1C ZINC000032733114 820999399 /nfs/dbraw/zinc/99/93/99/820999399.db2.gz LYXUXVAZWRZSQZ-ROUUACIJSA-N 1 0 376.504 4.018 20 0 GIADRO CCc1ccc([C@@H](CNC(=O)Cc2csc(-c3ccccc3)n2)[NH+](C)C)cc1 ZINC000032732857 820999639 /nfs/dbraw/zinc/99/96/39/820999639.db2.gz SFODZBHAOREBMA-OAQYLSRUSA-N 1 0 393.556 4.334 20 0 GIADRO COCc1c(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)sc2cccc(F)c21 ZINC000032733193 821000578 /nfs/dbraw/zinc/00/05/78/821000578.db2.gz PPQMVHGWALHYCT-KBPBESRZSA-N 1 0 378.513 4.180 20 0 GIADRO CCc1ccc([C@@H](CNC(=O)c2cc(Br)ccc2F)[NH+](C)C)cc1 ZINC000032733354 821000611 /nfs/dbraw/zinc/00/06/11/821000611.db2.gz JBAADVALUMOBFT-GOSISDBHSA-N 1 0 393.300 4.183 20 0 GIADRO CCc1ccc([C@H](CNC(=O)CCC(=O)c2ccc(Cl)cc2)[NH+](C)C)cc1 ZINC000032735512 821001096 /nfs/dbraw/zinc/00/10/96/821001096.db2.gz YKKPVZUAHOEYCY-FQEVSTJZSA-N 1 0 386.923 4.284 20 0 GIADRO Cc1ccc(-c2noc(CCC[N@@H+]3CC[C@@H](Nc4ccccc4)C3)n2)cc1F ZINC000060369953 823520707 /nfs/dbraw/zinc/52/07/07/823520707.db2.gz PNLBLUKMSNCUCA-LJQANCHMSA-N 1 0 380.467 4.303 20 0 GIADRO COc1ccc(SCCC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000032762227 821004250 /nfs/dbraw/zinc/00/42/50/821004250.db2.gz HVMJFEXJNHQBSB-GOSISDBHSA-N 1 0 390.574 4.192 20 0 GIADRO CCOc1c(Br)cc(CNCCC[N@@H+]2CCCC[C@@H]2C)cc1OC ZINC000061029087 823574194 /nfs/dbraw/zinc/57/41/94/823574194.db2.gz VDPWUWUSBMIWDH-HNNXBMFYSA-N 1 0 399.373 4.211 20 0 GIADRO CCN1CC[NH+](C[C@@H](C)CNc2ncnc3sc(-c4ccccc4)cc32)CC1 ZINC000060380179 823521745 /nfs/dbraw/zinc/52/17/45/823521745.db2.gz NCJXMQBWCJQRCH-KRWDZBQOSA-N 1 0 395.576 4.044 20 0 GIADRO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)CSCc2cccs2)CC1 ZINC000032891846 821017185 /nfs/dbraw/zinc/01/71/85/821017185.db2.gz FQTDXOATVCTUDD-UHFFFAOYSA-N 1 0 395.981 4.025 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)CCSc2ccccc2Br)CC1 ZINC000060404026 823524026 /nfs/dbraw/zinc/52/40/26/823524026.db2.gz JDLPSAINSCXNCH-UHFFFAOYSA-N 1 0 399.398 4.264 20 0 GIADRO Cc1cc(C(=O)NCc2cccc(C[NH+](C)C)c2)c(C)n1Cc1ccccc1 ZINC000033085276 821031865 /nfs/dbraw/zinc/03/18/65/821031865.db2.gz OHZOOTREAQAXEI-UHFFFAOYSA-N 1 0 375.516 4.145 20 0 GIADRO CCCCOc1ccc(C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)cc1OC ZINC000060394770 823523388 /nfs/dbraw/zinc/52/33/88/823523388.db2.gz TUPPKWWRMBNDBS-UHFFFAOYSA-N 1 0 376.541 4.067 20 0 GIADRO Cc1ccc(-c2cnc(CCC(=O)N3CCC(C[N@@H+](C)C(C)C)CC3)o2)cc1 ZINC000060394855 823523428 /nfs/dbraw/zinc/52/34/28/823523428.db2.gz QNZDSPHJAFIJIW-UHFFFAOYSA-N 1 0 383.536 4.161 20 0 GIADRO CCS[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000190025114 823527738 /nfs/dbraw/zinc/52/77/38/823527738.db2.gz VMHNAOKWMIZWAA-RBUKOAKNSA-N 1 0 386.565 4.082 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@H]1CCCc2c(O)cccc21 ZINC000190026979 823527934 /nfs/dbraw/zinc/52/79/34/823527934.db2.gz DISWUCWKNIDXJI-NRFANRHFSA-N 1 0 398.934 4.246 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1ccc(OCc2nccn2C)cc1 ZINC000177806169 823528086 /nfs/dbraw/zinc/52/80/86/823528086.db2.gz LRTHUUNWURPLSS-SFHVURJKSA-N 1 0 387.487 4.036 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1ccccc1OCc1ccc(F)cc1)c1cccs1 ZINC000033471541 821056293 /nfs/dbraw/zinc/05/62/93/821056293.db2.gz MLKKCVWDLUJUFM-IBGZPJMESA-N 1 0 398.503 4.499 20 0 GIADRO COc1ccc([C@H](C)N(C)C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000123645242 823528803 /nfs/dbraw/zinc/52/88/03/823528803.db2.gz DEGMEDSPZFQDAF-KRWDZBQOSA-N 1 0 399.510 4.201 20 0 GIADRO COc1ccc(C[N@@H+](Cc2ccccc2)C[C@H](O)c2ccccc2)cc1OC ZINC000036031021 821067731 /nfs/dbraw/zinc/06/77/31/821067731.db2.gz PRCODCVHHPTYAF-QFIPXVFZSA-N 1 0 377.484 4.440 20 0 GIADRO COc1cccc([C@H](CNC(=O)c2ccc(F)cc2Cl)[NH+]2CCCC2)c1 ZINC000036350599 821071973 /nfs/dbraw/zinc/07/19/73/821071973.db2.gz JCNUUQKMMJHKIZ-IBGZPJMESA-N 1 0 376.859 4.055 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)CCc1ccc(-c2ccccc2)o1)c1cccc(F)c1 ZINC000036684764 821075762 /nfs/dbraw/zinc/07/57/62/821075762.db2.gz JVALSCQLEBSNHT-NRFANRHFSA-N 1 0 380.463 4.437 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(Br)s1)c1ccccc1 ZINC000036703162 821077622 /nfs/dbraw/zinc/07/76/22/821077622.db2.gz WIVXJVUBIIQDHK-AWEZNQCLSA-N 1 0 381.339 4.324 20 0 GIADRO CCOC1CC(CCNC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)C1 ZINC000190004108 823524600 /nfs/dbraw/zinc/52/46/00/823524600.db2.gz RVEONSLGGIZWSI-FLPIEVNYSA-N 1 0 387.568 4.065 20 0 GIADRO CC[C@H]([NH2+]CC(=O)Nc1cc(C)ccc1OC)c1ccccc1OC(F)F ZINC000177815350 823529622 /nfs/dbraw/zinc/52/96/22/823529622.db2.gz YNSQOXXMOUSHSK-HNNXBMFYSA-N 1 0 378.419 4.284 20 0 GIADRO CCN(C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1)[C@H]1CCOC(C)(C)C1 ZINC000460834321 823525069 /nfs/dbraw/zinc/52/50/69/823525069.db2.gz AHAAMMXVQCNZHO-REWPJTCUSA-N 1 0 387.568 4.030 20 0 GIADRO CC(C)[C@H](CC(F)(F)F)NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000460835614 823525461 /nfs/dbraw/zinc/52/54/61/823525461.db2.gz LPBBGKRPOOZYIG-FHWLQOOXSA-N 1 0 397.485 4.127 20 0 GIADRO CC(C)[C@H](CC(F)(F)F)NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000460835617 823525654 /nfs/dbraw/zinc/52/56/54/823525654.db2.gz LPBBGKRPOOZYIG-QYZOEREBSA-N 1 0 397.485 4.127 20 0 GIADRO COc1cccc2cc(C(=O)NCC3CC[NH+](Cc4ccccc4)CC3)oc21 ZINC000038583379 821097997 /nfs/dbraw/zinc/09/79/97/821097997.db2.gz YRMWPSJCKOKLEX-UHFFFAOYSA-N 1 0 378.472 4.083 20 0 GIADRO CC(C)c1ccc(OCC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000038583400 821098077 /nfs/dbraw/zinc/09/80/77/821098077.db2.gz NPDZDZUJGZXKBP-UHFFFAOYSA-N 1 0 380.532 4.217 20 0 GIADRO COc1cccc(NC(=O)[C@H]([NH2+]CCc2ccccc2F)c2ccccc2)c1 ZINC000038624508 821098542 /nfs/dbraw/zinc/09/85/42/821098542.db2.gz XZCORWUCXPOBBN-JOCHJYFZSA-N 1 0 378.447 4.346 20 0 GIADRO CCOc1cccc(C[NH+]2CCC(C(=O)NCc3ccc(Cl)cc3)CC2)c1 ZINC000038848612 821100087 /nfs/dbraw/zinc/10/00/87/821100087.db2.gz OKZPTTCAJXKRNF-UHFFFAOYSA-N 1 0 386.923 4.267 20 0 GIADRO CCS[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1ccccc1Br ZINC000190014083 823526060 /nfs/dbraw/zinc/52/60/60/823526060.db2.gz CVRHIVQCDFWTOB-APHBMKBZSA-N 1 0 385.371 4.430 20 0 GIADRO O=C(/C=C\c1ccccc1)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000038907140 821101094 /nfs/dbraw/zinc/10/10/94/821101094.db2.gz HVTLRXHNSZEVFS-KAMYIIQDSA-N 1 0 398.510 4.056 20 0 GIADRO CCc1ccccc1C(=O)N(C)C1CC[NH+](Cc2ncc(C)c(OC)c2C)CC1 ZINC000123618636 823526377 /nfs/dbraw/zinc/52/63/77/823526377.db2.gz WGVHOPZXNJLXQC-UHFFFAOYSA-N 1 0 395.547 4.006 20 0 GIADRO CC1CC[NH+]([C@H](CNC(=S)Nc2ccccc2C#N)c2ccccc2)CC1 ZINC000060431319 823526741 /nfs/dbraw/zinc/52/67/41/823526741.db2.gz WEKXWZZVFPZDLV-OAQYLSRUSA-N 1 0 378.545 4.318 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)c2cccnc2Sc2ccccc2)CC1 ZINC000039563878 821116047 /nfs/dbraw/zinc/11/60/47/821116047.db2.gz IXITZFATGSHAQQ-UHFFFAOYSA-N 1 0 383.561 4.425 20 0 GIADRO O=C(NCc1ccc(C(F)F)cc1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000460880740 823535315 /nfs/dbraw/zinc/53/53/15/823535315.db2.gz INSISWHAUSJKJZ-SFTDATJTSA-N 1 0 399.485 4.288 20 0 GIADRO Cc1c([C@@H](C)NCc2cccc(C[NH+](C)C)c2)nnn1-c1ccc(Cl)cc1 ZINC000123669304 823530432 /nfs/dbraw/zinc/53/04/32/823530432.db2.gz BVCVVEFRMUAIRQ-OAHLLOKOSA-N 1 0 383.927 4.142 20 0 GIADRO CCOc1ccc(C(=O)N2CCC([NH2+][C@@H](C)c3cc(C)ccc3OC)CC2)cc1 ZINC000177829106 823532497 /nfs/dbraw/zinc/53/24/97/823532497.db2.gz RIPYZEHCKSNQQZ-SFHVURJKSA-N 1 0 396.531 4.358 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)c2ccc3nc(C)c(C)nc3c2)[NH+]2CCCC2)cc1 ZINC000040654363 821163456 /nfs/dbraw/zinc/16/34/56/821163456.db2.gz NSWMULRMVCAVQZ-HSZRJFAPSA-N 1 0 388.515 4.122 20 0 GIADRO O=C(CCc1ncc(-c2ccccc2)o1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000041020158 821167409 /nfs/dbraw/zinc/16/74/09/821167409.db2.gz NPAFPRHIBNIRGO-IBGZPJMESA-N 1 0 393.487 4.211 20 0 GIADRO C[C@@H]([NH2+]Cc1ccnc(N2CCCC2)c1)c1cc(Br)ccc1F ZINC000177838544 823534307 /nfs/dbraw/zinc/53/43/07/823534307.db2.gz REHLCRZKDZYYEV-CYBMUJFWSA-N 1 0 378.289 4.434 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H](C)c2cc(F)c(Cl)cc2Cl)C1 ZINC000177842797 823534855 /nfs/dbraw/zinc/53/48/55/823534855.db2.gz HMGDJWWDIJDHTM-NWDGAFQWSA-N 1 0 376.303 4.177 20 0 GIADRO CCC[NH+]1CCN(c2ccc(NC(=O)c3cc(C)oc3C)c(OCC)c2)CC1 ZINC000190079756 823535022 /nfs/dbraw/zinc/53/50/22/823535022.db2.gz QKEGMVRIPVEEJS-UHFFFAOYSA-N 1 0 385.508 4.079 20 0 GIADRO CC[NH+](CC)CCN(CC(C)C)C(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 ZINC000041579387 821212953 /nfs/dbraw/zinc/21/29/53/821212953.db2.gz LKFVFODDGJLYIK-UHFFFAOYSA-N 1 0 399.535 4.280 20 0 GIADRO CC[NH+](CC)[C@@H](C(=O)Nc1cc(F)c(OC)c(F)c1OC)c1ccccc1 ZINC000411043665 823537061 /nfs/dbraw/zinc/53/70/61/823537061.db2.gz HCWQCRCNEHENMP-QGZVFWFLSA-N 1 0 378.419 4.004 20 0 GIADRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000041791852 821230777 /nfs/dbraw/zinc/23/07/77/821230777.db2.gz NVJQMNXMTMLWSV-SFHVURJKSA-N 1 0 375.472 4.223 20 0 GIADRO CCNC(=O)c1cccc(C[NH2+][C@@H](CC)c2cccc(Br)c2)c1 ZINC000177884221 823541117 /nfs/dbraw/zinc/54/11/17/823541117.db2.gz GKYBMWRNGDFOQT-SFHVURJKSA-N 1 0 375.310 4.440 20 0 GIADRO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]Cc2cccc3c2OCO3)o1 ZINC000060527121 823538541 /nfs/dbraw/zinc/53/85/41/823538541.db2.gz WUEUAHXIZZTOJE-UHFFFAOYSA-N 1 0 387.439 4.459 20 0 GIADRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)c1cc(C(F)(F)F)ccc1F ZINC000177866194 823538562 /nfs/dbraw/zinc/53/85/62/823538562.db2.gz WXCWLXPTYJCEAS-UHFFFAOYSA-N 1 0 394.412 4.281 20 0 GIADRO C[C@@H](COc1ccc(C(C)(C)C)cc1)[NH2+]Cc1ccc(-n2cncn2)c(F)c1 ZINC000060528107 823538576 /nfs/dbraw/zinc/53/85/76/823538576.db2.gz DAQQJSQODBVRTR-INIZCTEOSA-N 1 0 382.483 4.261 20 0 GIADRO COc1cc([C@@H](C)[NH2+]C2CCN(Cc3ccccn3)CC2)ccc1OCC(C)C ZINC000177868481 823538716 /nfs/dbraw/zinc/53/87/16/823538716.db2.gz ZKEIAVKJOARDEW-LJQANCHMSA-N 1 0 397.563 4.440 20 0 GIADRO O=C(c1ccc(SC(F)F)cc1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000041901945 821244503 /nfs/dbraw/zinc/24/45/03/821244503.db2.gz APSPYFGHMQFUAM-UHFFFAOYSA-N 1 0 376.472 4.349 20 0 GIADRO Brc1cccc(C2(C[NH2+]Cc3ccc(-n4cncn4)cc3)CCC2)c1 ZINC000060528240 823538778 /nfs/dbraw/zinc/53/87/78/823538778.db2.gz RQTPJVDESPUZBQ-UHFFFAOYSA-N 1 0 397.320 4.241 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)NCC[C@@H](C)c2cccc(C(F)(F)F)c2)C1 ZINC000177885904 823541241 /nfs/dbraw/zinc/54/12/41/823541241.db2.gz ROHVHBLOJSDMHL-HZPDHXFCSA-N 1 0 385.474 4.182 20 0 GIADRO COc1cc(C)c([C@H](C)[NH2+]Cc2cccc(C(=O)N3CCCCC3)c2)cc1OC ZINC000177874940 823539812 /nfs/dbraw/zinc/53/98/12/823539812.db2.gz PBXYQYYZMQCIPA-SFHVURJKSA-N 1 0 396.531 4.489 20 0 GIADRO O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1cccc(C[NH+]2CCCC2)c1 ZINC000060550621 823541332 /nfs/dbraw/zinc/54/13/32/823541332.db2.gz BVYQNLKAVZNZAF-UHFFFAOYSA-N 1 0 399.922 4.025 20 0 GIADRO Cc1ccc(C2=CC[N@H+](Cc3cc(=O)n4c5ccccc5[nH]c4c3C#N)CC2)cc1 ZINC000042122492 821269693 /nfs/dbraw/zinc/26/96/93/821269693.db2.gz XMYBBEMTJOMHLE-NRFANRHFSA-N 1 0 394.478 4.321 20 0 GIADRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000042122749 821269991 /nfs/dbraw/zinc/26/99/91/821269991.db2.gz RARWSZDEZPQPNJ-AZUAARDMSA-N 1 0 386.430 4.200 20 0 GIADRO Cc1onc(-c2ccccc2)c1C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000042127236 821270341 /nfs/dbraw/zinc/27/03/41/821270341.db2.gz OKXTXFFDPSJOLS-UHFFFAOYSA-N 1 0 389.499 4.353 20 0 GIADRO CC(C)(C)[N@@H+]1CCCN(C(=O)NCc2ccc(OCc3ccccc3)cc2)CC1 ZINC000060545155 823540602 /nfs/dbraw/zinc/54/06/02/823540602.db2.gz RIRZEQBJTBULLK-UHFFFAOYSA-N 1 0 395.547 4.281 20 0 GIADRO Cc1cc([C@@H](C)[NH2+]CCC(=O)Nc2ccc(Br)cc2F)c(C)o1 ZINC000411521905 823584218 /nfs/dbraw/zinc/58/42/18/823584218.db2.gz VCNXRACAZDUBIO-LLVKDONJSA-N 1 0 383.261 4.477 20 0 GIADRO C[NH+]1CCN(Cc2ccc(NC(=O)C3(c4cccc(Cl)c4)CCC3)cc2)CC1 ZINC000060547322 823540772 /nfs/dbraw/zinc/54/07/72/823540772.db2.gz QOSWPYRXXPWEKX-UHFFFAOYSA-N 1 0 397.950 4.148 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(C)cc2Cl)c(OC)c1 ZINC000042184392 821280913 /nfs/dbraw/zinc/28/09/13/821280913.db2.gz TWDBCYQYFHDRCT-UONOGXRCSA-N 1 0 376.884 4.343 20 0 GIADRO COc1cc(C[NH2+]C[C@@H]2COc3ccccc3C2)ccc1OCc1ccncc1 ZINC000042186837 821281140 /nfs/dbraw/zinc/28/11/40/821281140.db2.gz RNZCLJHWMODSMA-HXUWFJFHSA-N 1 0 390.483 4.010 20 0 GIADRO Fc1ccc(-c2n[nH]cc2C[NH2+]Cc2cc(Br)ccc2F)cc1 ZINC000042201887 821282789 /nfs/dbraw/zinc/28/27/89/821282789.db2.gz FRKPMOGQRZKDBQ-UHFFFAOYSA-N 1 0 378.220 4.407 20 0 GIADRO COc1cc(C[NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)ccn1 ZINC000042208358 821284295 /nfs/dbraw/zinc/28/42/95/821284295.db2.gz AXQUANMXRQRVPR-UHFFFAOYSA-N 1 0 381.863 4.286 20 0 GIADRO Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1CNC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000042229132 821288250 /nfs/dbraw/zinc/28/82/50/821288250.db2.gz HUNLJWIYABIBGY-INIZCTEOSA-N 1 0 393.362 4.121 20 0 GIADRO Cc1csc(CC[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)n1 ZINC000042228558 821288502 /nfs/dbraw/zinc/28/85/02/821288502.db2.gz ORMQYIAFIINOFE-UHFFFAOYSA-N 1 0 389.528 4.091 20 0 GIADRO Cc1nn(-c2cccc(Cl)c2)c(Cl)c1CNC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000042229141 821288951 /nfs/dbraw/zinc/28/89/51/821288951.db2.gz SVFKRPAXDZDYHY-CQSZACIVSA-N 1 0 379.335 4.061 20 0 GIADRO COc1ccc([C@H](C)[NH2+]Cc2cc3c(c(Br)c2)OCO3)c(OC)c1 ZINC000042230606 821289026 /nfs/dbraw/zinc/28/90/26/821289026.db2.gz FOLLEWVSMUHRGC-NSHDSACASA-N 1 0 394.265 4.046 20 0 GIADRO COc1ccc([C@H](C)[NH2+]Cc2ccc(OC)c(Br)c2)c(OC)c1 ZINC000042230573 821289110 /nfs/dbraw/zinc/28/91/10/821289110.db2.gz UDTOZIXZKFMEJP-LBPRGKRZSA-N 1 0 380.282 4.326 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1)CC(C)C ZINC000042547342 821310359 /nfs/dbraw/zinc/31/03/59/821310359.db2.gz ZTMOIMATUCGIFS-IBGZPJMESA-N 1 0 399.535 4.327 20 0 GIADRO C[N@@H+]1CC[C@H](CNC(=O)CCc2ccc(F)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123795934 823541525 /nfs/dbraw/zinc/54/15/25/823541525.db2.gz LGXSIVWTACHMMO-IERDGZPVSA-N 1 0 392.877 4.360 20 0 GIADRO COc1ccc([C@@H](CNC(=O)N(C)[C@H]2CCc3ccccc32)[NH+]2CCCC2)cc1 ZINC000042626355 821315967 /nfs/dbraw/zinc/31/59/67/821315967.db2.gz IOSNOKWGZQWLQG-XZOQPEGZSA-N 1 0 393.531 4.161 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1 ZINC000042713356 821327004 /nfs/dbraw/zinc/32/70/04/821327004.db2.gz BBYHCLAQNGXSRA-UHFFFAOYSA-N 1 0 398.551 4.488 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)c2ccc(OC(C)C)c(OC)c2)o1 ZINC000042722404 821327131 /nfs/dbraw/zinc/32/71/31/821327131.db2.gz UETWFCRGENQODW-MRXNPFEDSA-N 1 0 388.508 4.408 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1ncoc1-c1ccccc1Cl)c1ccco1 ZINC000460916049 823541561 /nfs/dbraw/zinc/54/15/61/823541561.db2.gz YLXIUCJCZWQEDU-INIZCTEOSA-N 1 0 387.867 4.401 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(F)cc2F)CC1 ZINC000042803480 821334450 /nfs/dbraw/zinc/33/44/50/821334450.db2.gz CBYUWLVCOPERHR-MRXNPFEDSA-N 1 0 387.474 4.298 20 0 GIADRO CC(C)Oc1cccc([C@@H](C)NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000042929637 821345914 /nfs/dbraw/zinc/34/59/14/821345914.db2.gz CEYIHXMUYAFBPH-LJQANCHMSA-N 1 0 395.547 4.499 20 0 GIADRO COc1cccc([C@@H]2CCCN2C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000043136508 821366424 /nfs/dbraw/zinc/36/64/24/821366424.db2.gz VOAOGFADAHQJDT-LEWJYISDSA-N 1 0 397.519 4.362 20 0 GIADRO CC(C)Oc1ccc([C@@H](C)NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1 ZINC000043143906 821367409 /nfs/dbraw/zinc/36/74/09/821367409.db2.gz ZVJYPIUXLKSCGF-QAPCUYQASA-N 1 0 375.538 4.198 20 0 GIADRO CCc1cccc(C)c1NC(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000043156298 821369922 /nfs/dbraw/zinc/36/99/22/821369922.db2.gz VEXJLLHVKIMRAK-OALUTQOASA-N 1 0 395.547 4.488 20 0 GIADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)N[C@H]1CCSc2ccccc21 ZINC000043166590 821371612 /nfs/dbraw/zinc/37/16/12/821371612.db2.gz FMDYGLDXHOAWQH-FQEVSTJZSA-N 1 0 383.561 4.039 20 0 GIADRO CC(C)n1cnnc1[C@H]1CCC[N@H+](CCOc2cc(Cl)ccc2Cl)C1 ZINC000180629945 821375143 /nfs/dbraw/zinc/37/51/43/821375143.db2.gz MBRVTXYDOYCLEN-AWEZNQCLSA-N 1 0 383.323 4.424 20 0 GIADRO COc1ccc(F)cc1[C@@H](C)NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000043231432 821378335 /nfs/dbraw/zinc/37/83/35/821378335.db2.gz BZUFYZVKCMCKQW-PBHICJAKSA-N 1 0 391.512 4.093 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1Cl)c1cccc(-n2ccnc2)c1 ZINC000180647043 821380850 /nfs/dbraw/zinc/38/08/50/821380850.db2.gz YWKABUMWENGBOG-CYBMUJFWSA-N 1 0 389.286 4.468 20 0 GIADRO CC[C@@H]([NH2+]Cc1cc(=O)oc2c(C)c(C)ccc12)c1ccc2c(c1)OCCO2 ZINC000180648296 821381494 /nfs/dbraw/zinc/38/14/94/821381494.db2.gz OSCBQWDSNDZUMH-LJQANCHMSA-N 1 0 379.456 4.422 20 0 GIADRO COc1ccccc1-c1ccc(C[N@@H+]2CCC[C@H]([C@H](O)c3nccn3C)C2)cc1 ZINC000180652421 821383347 /nfs/dbraw/zinc/38/33/47/821383347.db2.gz XLGGTNSVHCYFEO-REWPJTCUSA-N 1 0 391.515 4.041 20 0 GIADRO C[NH+](C)CCCC1CCN(C(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)CC1 ZINC000180657634 821385068 /nfs/dbraw/zinc/38/50/68/821385068.db2.gz NQWPPCMFRZPJJZ-UHFFFAOYSA-N 1 0 379.455 4.086 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N[C@@H](c2ccccc2)c2ccccn2)C1 ZINC000043296085 821388086 /nfs/dbraw/zinc/38/80/86/821388086.db2.gz WTEUQVOSXSIDAX-MZKRTTBSSA-N 1 0 394.563 4.228 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(N(C)C)cc2)cc1OCC ZINC000043301754 821388290 /nfs/dbraw/zinc/38/82/90/821388290.db2.gz CZZYNJQMRMGSPK-IAGOWNOFSA-N 1 0 399.535 4.228 20 0 GIADRO C[C@@H]([NH2+]Cc1nn(-c2ccccc2)c2c1CCC2)c1cccc(-n2ccnc2)c1 ZINC000180667522 821388255 /nfs/dbraw/zinc/38/82/55/821388255.db2.gz ZQGCAVNQPWLFKJ-GOSISDBHSA-N 1 0 383.499 4.398 20 0 GIADRO COc1cccc([C@@H](CNC(=O)N(Cc2ccc(C)o2)C2CC2)[NH+]2CCCC2)c1 ZINC000043306972 821389111 /nfs/dbraw/zinc/38/91/11/821389111.db2.gz ZMNAWVMFJGGXFD-JOCHJYFZSA-N 1 0 397.519 4.108 20 0 GIADRO Cc1ccc(NC(=O)NC[C@H](c2ccsc2)[NH+](C)C)c(Br)c1 ZINC000043328281 821392114 /nfs/dbraw/zinc/39/21/14/821392114.db2.gz TVKCAANAFQVTPF-OAHLLOKOSA-N 1 0 382.327 4.243 20 0 GIADRO CCc1nnc(NC(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)s1 ZINC000043344762 821395467 /nfs/dbraw/zinc/39/54/67/821395467.db2.gz FLCJBBBXEDMBIJ-UHFFFAOYSA-N 1 0 395.532 4.151 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1)c1ccc(-n2ccnc2)cc1 ZINC000180690259 821396373 /nfs/dbraw/zinc/39/63/73/821396373.db2.gz YRKILQSZXVQXJH-IFXJQAMLSA-N 1 0 375.394 4.275 20 0 GIADRO COCCOc1ccc([C@@H](C)[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)cc1 ZINC000180690415 821396876 /nfs/dbraw/zinc/39/68/76/821396876.db2.gz DXQTUAKBIAMSOG-KUHUBIRLSA-N 1 0 383.410 4.115 20 0 GIADRO CCCOc1ccc(C(F)(F)F)cc1NC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000043379635 821399431 /nfs/dbraw/zinc/39/94/31/821399431.db2.gz FYWISJBQSDGEDF-UHFFFAOYSA-N 1 0 385.430 4.243 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1cc(OC)c(OC)cc1C)c1ccccc1 ZINC000043405201 821402830 /nfs/dbraw/zinc/40/28/30/821402830.db2.gz GBXLOFBRWYKYBC-IBGZPJMESA-N 1 0 385.508 4.217 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)N(C)[C@H]3CCc4ccccc43)c(C)c2)CC1 ZINC000043522401 821421780 /nfs/dbraw/zinc/42/17/80/821421780.db2.gz BAQVXVARPLIEOZ-QHCPKHFHSA-N 1 0 392.547 4.288 20 0 GIADRO COc1cc(OC)c([C@H](C)NCC2([NH+]3CCCCC3)CCOCC2)cc1Cl ZINC000180737574 821425722 /nfs/dbraw/zinc/42/57/22/821425722.db2.gz NFDNPVUWNPAIIG-INIZCTEOSA-N 1 0 396.959 4.043 20 0 GIADRO Cc1ccc(OC(F)F)c([C@H](C)NCC2([NH+]3CCCCC3)CCOCC2)c1 ZINC000180737206 821425738 /nfs/dbraw/zinc/42/57/38/821425738.db2.gz OVIMWGATHHCCGQ-KRWDZBQOSA-N 1 0 382.495 4.282 20 0 GIADRO O=C(CCC[NH2+][C@@H]1CCCOc2c(Cl)cccc21)N1Cc2ccccc2C1 ZINC000180753931 821435452 /nfs/dbraw/zinc/43/54/52/821435452.db2.gz PDBPXPDGRORLAD-HXUWFJFHSA-N 1 0 384.907 4.466 20 0 GIADRO COc1ccc([C@@H]([NH2+]CCCO[C@H]2CCOC2)c2ccccc2Cl)cc1 ZINC000180754193 821435500 /nfs/dbraw/zinc/43/55/00/821435500.db2.gz GLPQWBIKNPMSHQ-GHTZIAJQSA-N 1 0 375.896 4.223 20 0 GIADRO CCc1ccc([C@@H](CNC(=O)Nc2ccc(NC(=O)C(C)C)cc2)[NH+](C)C)cc1 ZINC000043675143 821440183 /nfs/dbraw/zinc/44/01/83/821440183.db2.gz RCFHUDIYXAHWRX-OAQYLSRUSA-N 1 0 396.535 4.268 20 0 GIADRO Cc1ccc([C@@H]([NH2+]C[C@]2(C)CCCS2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000180765362 821442674 /nfs/dbraw/zinc/44/26/74/821442674.db2.gz MPEQXFWZLMYGAS-RTWAWAEBSA-N 1 0 389.586 4.363 20 0 GIADRO CCCn1c(C[NH+]2CCC(CCC(=O)N(CC)CC)CC2)nc2ccccc21 ZINC000180769113 821444622 /nfs/dbraw/zinc/44/46/22/821444622.db2.gz LMWLQKSHLHLHHZ-UHFFFAOYSA-N 1 0 384.568 4.307 20 0 GIADRO CCOc1ccc([C@@H]([NH2+]C[C@]2(CCO)CCOC2)c2ccccc2Cl)cc1 ZINC000180775530 821449037 /nfs/dbraw/zinc/44/90/37/821449037.db2.gz PPQRVFHHHXBOAR-YADHBBJMSA-N 1 0 389.923 4.207 20 0 GIADRO O=C(NCc1ccc(OC(F)F)cc1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000043779166 821457068 /nfs/dbraw/zinc/45/70/68/821457068.db2.gz LZVPHYSXACTOCM-UHFFFAOYSA-N 1 0 395.494 4.086 20 0 GIADRO CN(C(=O)C[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccc1)c1nccs1 ZINC000180786902 821457058 /nfs/dbraw/zinc/45/70/58/821457058.db2.gz OWGRHZYLXDBRME-SFHVURJKSA-N 1 0 385.920 4.333 20 0 GIADRO CC[C@@H]([NH2+]CCNC(=O)c1c(F)cccc1F)c1ccc(OC(F)F)cc1 ZINC000180788954 821459491 /nfs/dbraw/zinc/45/94/91/821459491.db2.gz FBPRHIVRMSFPFM-MRXNPFEDSA-N 1 0 384.373 4.037 20 0 GIADRO CCN(CC)c1ncc(C[N@@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)s1 ZINC000180796326 821463442 /nfs/dbraw/zinc/46/34/42/821463442.db2.gz CBUQVRDDSCGJDU-CYBMUJFWSA-N 1 0 387.475 4.042 20 0 GIADRO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)o1 ZINC000180798939 821464707 /nfs/dbraw/zinc/46/47/07/821464707.db2.gz BSBPJXTXEOEJHK-AWEZNQCLSA-N 1 0 379.386 4.031 20 0 GIADRO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3cc(C)c(OCc4ccccn4)c(C)c3)[C@H]2C1 ZINC000180812760 821473776 /nfs/dbraw/zinc/47/37/76/821473776.db2.gz JVHGLGHHSCIXHS-XPWALMASSA-N 1 0 396.531 4.046 20 0 GIADRO O=C(NCCSc1ccc(Cl)cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000043861739 821474981 /nfs/dbraw/zinc/47/49/81/821474981.db2.gz RWFUDRLMUUSBLZ-UHFFFAOYSA-N 1 0 381.973 4.092 20 0 GIADRO Cc1cc(C[NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)ccc1Cl ZINC000180820776 821480167 /nfs/dbraw/zinc/48/01/67/821480167.db2.gz HOUIWBVSXGQGKK-IAGOWNOFSA-N 1 0 386.923 4.188 20 0 GIADRO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(-c3cccc(Br)c3)o2)C1 ZINC000180822830 821481566 /nfs/dbraw/zinc/48/15/66/821481566.db2.gz RIOWFOCRSPEAEF-OAHLLOKOSA-N 1 0 391.309 4.009 20 0 GIADRO Cc1ccc(Sc2ncccc2C(=O)NC2CC[NH+](C(C)C)CC2)cc1C ZINC000043935263 821491561 /nfs/dbraw/zinc/49/15/61/821491561.db2.gz BZFLYZRXTYKWNW-UHFFFAOYSA-N 1 0 383.561 4.452 20 0 GIADRO COc1ccc([C@@H]([NH2+][C@H]2CCCOC2)c2ccccc2)cc1Br ZINC000180859935 821498920 /nfs/dbraw/zinc/49/89/20/821498920.db2.gz JCTSQWBSUMIULB-LPHOPBHVSA-N 1 0 376.294 4.316 20 0 GIADRO C[C@@H](NC(=O)Nc1ccc(OC(F)(F)F)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180864729 821501764 /nfs/dbraw/zinc/50/17/64/821501764.db2.gz TZZBSNYXJLRMML-KGLIPLIRSA-N 1 0 385.430 4.360 20 0 GIADRO O=C(NC1CC[NH+](C2CCCC2)CC1)N[C@H]1CCCOc2cc(Cl)ccc21 ZINC000180877438 821508780 /nfs/dbraw/zinc/50/87/80/821508780.db2.gz HPDILZBRQQEPNH-IBGZPJMESA-N 1 0 391.943 4.260 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)Nc2ccc(NC(C)=O)c(C)c2)cc1 ZINC000044048076 821511203 /nfs/dbraw/zinc/51/12/03/821511203.db2.gz IBKYVNYQKSGYCJ-UHFFFAOYSA-N 1 0 382.508 4.117 20 0 GIADRO FC(F)(F)c1ccc2oc(C[N@@H+]3CCC[C@H](c4nncn4C4CC4)C3)nc2c1 ZINC000180882968 821511175 /nfs/dbraw/zinc/51/11/75/821511175.db2.gz BPHJJPTVQPCJGA-LBPRGKRZSA-N 1 0 391.397 4.153 20 0 GIADRO COc1ccc([C@H]([NH2+]CCNC(=O)c2c(F)cccc2F)c2ccccc2)cc1 ZINC000180889037 821516323 /nfs/dbraw/zinc/51/63/23/821516323.db2.gz ZUUPHCHULOHHGL-JOCHJYFZSA-N 1 0 396.437 4.082 20 0 GIADRO C[C@H]([NH2+]CCC(=O)Nc1cc(N)ccc1F)c1ccc(-c2ccncc2)cc1 ZINC000180892431 821519450 /nfs/dbraw/zinc/51/94/50/821519450.db2.gz FJGBLUDMALZMTR-HNNXBMFYSA-N 1 0 378.451 4.149 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc(-c2ccncc2)cc1)C(=O)NCc1ccccc1F ZINC000180896748 821521695 /nfs/dbraw/zinc/52/16/95/821521695.db2.gz WISNVFDJIJSBAH-IAGOWNOFSA-N 1 0 377.463 4.243 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCN(c2c(F)cccc2F)C1=O)c1ccc(-c2ccncc2)cc1 ZINC000180897287 821522397 /nfs/dbraw/zinc/52/23/97/821522397.db2.gz FBIABZKVYXVFNZ-QVKFZJNVSA-N 1 0 393.437 4.483 20 0 GIADRO O=C(c1ccccc1)N1CCC([NH2+]Cc2ccc(SC(F)F)cc2)CC1 ZINC000180897949 821522498 /nfs/dbraw/zinc/52/24/98/821522498.db2.gz PTBIBYSSQLNLRQ-UHFFFAOYSA-N 1 0 376.472 4.396 20 0 GIADRO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCc1nc2c(cccc2F)n1C)CC3 ZINC000180898205 821522893 /nfs/dbraw/zinc/52/28/93/821522893.db2.gz MNDFCRBQCWLEKZ-OAHLLOKOSA-N 1 0 376.479 4.192 20 0 GIADRO CC(C)(C)Oc1ccc(NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000180898944 821523146 /nfs/dbraw/zinc/52/31/46/821523146.db2.gz LLLPNWZSOPMZAE-UHFFFAOYSA-N 1 0 382.508 4.297 20 0 GIADRO CC(=O)c1cccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccc(-c3ccncc3)cc2)c1 ZINC000180899460 821523513 /nfs/dbraw/zinc/52/35/13/821523513.db2.gz YFCCWISVWKPHHX-GAJHUEQPSA-N 1 0 390.483 4.042 20 0 GIADRO CN(CCC[NH+](C)C)C(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000180908440 821530028 /nfs/dbraw/zinc/53/00/28/821530028.db2.gz KNYQZQMTXHSCAU-UHFFFAOYSA-N 1 0 386.443 4.244 20 0 GIADRO C[C@H]([NH2+]CC(=O)N(C)Cc1ccccc1F)c1ccc(-c2ccncc2)cc1 ZINC000180909561 821530483 /nfs/dbraw/zinc/53/04/83/821530483.db2.gz XLSQMZJPDFYCCG-KRWDZBQOSA-N 1 0 377.463 4.197 20 0 GIADRO Cc1ccc(CNC(=O)C[NH2+][C@@H](C)c2ccc(-c3ccncc3)cc2)cc1F ZINC000180909316 821530637 /nfs/dbraw/zinc/53/06/37/821530637.db2.gz LFIWNFFAEBQQEI-KRWDZBQOSA-N 1 0 377.463 4.163 20 0 GIADRO COC(=O)COc1cccc(C[NH2+][C@@H](C)c2cc(Cl)ccc2OC(F)F)c1 ZINC000180911426 821532620 /nfs/dbraw/zinc/53/26/20/821532620.db2.gz QYKVZWLMAZMALS-LBPRGKRZSA-N 1 0 399.821 4.344 20 0 GIADRO COc1ccccc1[C@H](C)NC(=O)C[NH2+][C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000180915855 821535247 /nfs/dbraw/zinc/53/52/47/821535247.db2.gz UTTMFLLAXDTBRW-MSOLQXFVSA-N 1 0 389.499 4.285 20 0 GIADRO COc1ccc(CN2CC[C@@H]([NH2+][C@@H](C)c3sc(C(C)C)nc3C)C2=O)cc1 ZINC000180917512 821536724 /nfs/dbraw/zinc/53/67/24/821536724.db2.gz IKMOHNQBICSQAI-KBXCAEBGSA-N 1 0 387.549 4.035 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc(-c2ccncc2)cc1)C(=O)NCCc1ccc(F)cc1 ZINC000180917337 821536768 /nfs/dbraw/zinc/53/67/68/821536768.db2.gz LJLLODLRZDZXNM-QZTJIDSGSA-N 1 0 391.490 4.286 20 0 GIADRO COc1ccc(CN2CC[C@H]([NH2+][C@@H](C)c3sc(C(C)C)nc3C)C2=O)cc1 ZINC000180917546 821537449 /nfs/dbraw/zinc/53/74/49/821537449.db2.gz IKMOHNQBICSQAI-KSSFIOAISA-N 1 0 387.549 4.035 20 0 GIADRO COc1ccc(CN2CC[C@H]([NH2+][C@@H](C)c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000180919786 821537980 /nfs/dbraw/zinc/53/79/80/821537980.db2.gz MBPGKHPXRJZHOY-LIRRHRJNSA-N 1 0 392.421 4.166 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1CNC(=S)Nc1ccc(C(C)=O)cc1 ZINC000044158496 821538170 /nfs/dbraw/zinc/53/81/70/821538170.db2.gz LQKFQQQXAHVGTB-UHFFFAOYSA-N 1 0 399.560 4.096 20 0 GIADRO Cc1c(Cl)cccc1NC(=S)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000044222619 821549733 /nfs/dbraw/zinc/54/97/33/821549733.db2.gz RJRIGQKHYPOAJO-UHFFFAOYSA-N 1 0 377.941 4.075 20 0 GIADRO CCOc1ccc(NC(=S)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)cc1 ZINC000044229696 821551560 /nfs/dbraw/zinc/55/15/60/821551560.db2.gz UNRSTPAKGLVHFL-UHFFFAOYSA-N 1 0 384.549 4.036 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]CC(C)(C)Cc2ccccc2)c1 ZINC000180955214 821554734 /nfs/dbraw/zinc/55/47/34/821554734.db2.gz AXRNCZRFTVUQHA-QGZVFWFLSA-N 1 0 384.520 4.279 20 0 GIADRO CCc1nc2ccccc2n1C1CC[NH+](C[C@@H](O)c2ccc(F)cc2F)CC1 ZINC000180966194 821560759 /nfs/dbraw/zinc/56/07/59/821560759.db2.gz CZEBAFZIDNKVCO-OAQYLSRUSA-N 1 0 385.458 4.247 20 0 GIADRO CCc1nc2ccccc2n1C1CC[NH+](C[C@H](O)c2c(F)cccc2F)CC1 ZINC000180967382 821561483 /nfs/dbraw/zinc/56/14/83/821561483.db2.gz QZYXOOVIAWEIAD-FQEVSTJZSA-N 1 0 385.458 4.247 20 0 GIADRO CCc1nc2ccccc2n1C1CC[NH+](C[C@H](O)c2cc(F)ccc2F)CC1 ZINC000180969117 821562618 /nfs/dbraw/zinc/56/26/18/821562618.db2.gz AGWXDOJNTGDBIK-NRFANRHFSA-N 1 0 385.458 4.247 20 0 GIADRO CC[C@H]([NH2+]C1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1)c1cccs1 ZINC000180969741 821563219 /nfs/dbraw/zinc/56/32/19/821563219.db2.gz AUUAXMHEBDZZEJ-KRWDZBQOSA-N 1 0 388.533 4.111 20 0 GIADRO C[C@@H]([NH2+]C[C@H](O)c1cc(F)ccc1F)c1ccc(OCC(F)(F)F)cc1 ZINC000180970067 821563845 /nfs/dbraw/zinc/56/38/45/821563845.db2.gz ZVRLSEIFAJBFLX-DIFFPNOSSA-N 1 0 375.337 4.290 20 0 GIADRO COc1ccc(C(=O)N2CCC([NH2+][C@@H](C)c3sccc3C)CC2)cc1OC ZINC000180971607 821564853 /nfs/dbraw/zinc/56/48/53/821564853.db2.gz ZWHJCMBSFXQGRW-HNNXBMFYSA-N 1 0 388.533 4.029 20 0 GIADRO CC(=O)c1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(OCC(F)(F)F)cc2)cc1 ZINC000180971686 821564952 /nfs/dbraw/zinc/56/49/52/821564952.db2.gz NVYXERKTWLPPDL-ZDUSSCGKSA-N 1 0 394.393 4.120 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1cccc(OCC(F)(F)F)c1)c1cccs1 ZINC000044310441 821567199 /nfs/dbraw/zinc/56/71/99/821567199.db2.gz AMVZXVQVNKTHGU-CQSZACIVSA-N 1 0 387.427 4.114 20 0 GIADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)c2cc3cc(Cl)ccc3o2)cc1 ZINC000180979043 821570009 /nfs/dbraw/zinc/57/00/09/821570009.db2.gz XXNUDYKKURRNEO-QWHCGFSZSA-N 1 0 392.908 4.406 20 0 GIADRO COC1(C[NH2+][C@@H](c2ccccc2)c2ccc(OC(F)F)cc2)CCOCC1 ZINC000180980348 821571187 /nfs/dbraw/zinc/57/11/87/821571187.db2.gz PNCDNRUWVWCUOE-IBGZPJMESA-N 1 0 377.431 4.163 20 0 GIADRO CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000180981241 821571676 /nfs/dbraw/zinc/57/16/76/821571676.db2.gz DIARDXZIAUFTIB-JMERFSKESA-N 1 0 399.915 4.309 20 0 GIADRO CN(C)S(=O)(=O)c1cccc(C[NH2+][C@@H](c2cccc(F)c2)C2CCCC2)c1 ZINC000181011645 821592124 /nfs/dbraw/zinc/59/21/24/821592124.db2.gz LCCUQQJUBUNLIU-OAQYLSRUSA-N 1 0 390.524 4.097 20 0 GIADRO CC(C)(CNC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)[N@@H+]1CCc2ccccc2C1 ZINC000044487258 821592501 /nfs/dbraw/zinc/59/25/01/821592501.db2.gz OPMFFPGXSBSNLO-SJLPKXTDSA-N 1 0 382.470 4.308 20 0 GIADRO CN(c1ccccc1CNc1cc(C2CCCC2)nn1C)C1CC[NH+](C)CC1 ZINC000181022631 821598340 /nfs/dbraw/zinc/59/83/40/821598340.db2.gz IQRIEKDVPANBAI-UHFFFAOYSA-N 1 0 381.568 4.220 20 0 GIADRO CC(C)(C)[C@H]([NH2+]Cc1nc(=O)c2c3c(sc2[nH]1)CCC3)c1cccc(F)c1 ZINC000181066045 821616171 /nfs/dbraw/zinc/61/61/71/821616171.db2.gz ZNSRWRWLBUHEEL-GOSISDBHSA-N 1 0 385.508 4.489 20 0 GIADRO CS(=O)(=O)C1CCC([NH2+][C@H]2CC3(CCCCC3)Oc3ccccc32)CC1 ZINC000181116387 821642776 /nfs/dbraw/zinc/64/27/76/821642776.db2.gz ONFPLOQVSHWRHA-TVPLGVNVSA-N 1 0 377.550 4.159 20 0 GIADRO C[C@H]([NH2+]C1CCC(S(C)(=O)=O)CC1)c1ccc(SCC(F)(F)F)cc1 ZINC000181117959 821643378 /nfs/dbraw/zinc/64/33/78/821643378.db2.gz GIDPMSJZQJSWSP-YGONEPDPSA-N 1 0 395.512 4.347 20 0 GIADRO C[C@@H](N[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Br)cc1Br ZINC000044686286 821644405 /nfs/dbraw/zinc/64/44/05/821644405.db2.gz VRQWCKPDNBRCNY-PWSUYJOCSA-N 1 0 388.147 4.099 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC000181119332 821644704 /nfs/dbraw/zinc/64/47/04/821644704.db2.gz CCGLQXDZGFTJGW-OAHLLOKOSA-N 1 0 389.406 4.052 20 0 GIADRO CCOCc1cc(C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)ccc1OC ZINC000181119698 821644965 /nfs/dbraw/zinc/64/49/65/821644965.db2.gz DPTRNVDAUDOERG-UHFFFAOYSA-N 1 0 397.441 4.284 20 0 GIADRO O=C(NCCCCC[NH+]1CCCCC1)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC000181125008 821648293 /nfs/dbraw/zinc/64/82/93/821648293.db2.gz PCXWYAUYXYVMOS-UHFFFAOYSA-N 1 0 379.455 4.278 20 0 GIADRO CC(=O)Nc1ccc(C(=O)NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000044755991 821654282 /nfs/dbraw/zinc/65/42/82/821654282.db2.gz DTPZEHATOGYGQF-HDICACEKSA-N 1 0 393.531 4.053 20 0 GIADRO C[C@@H](O)CC(C)(C)C[NH2+][C@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000181136833 821656638 /nfs/dbraw/zinc/65/66/38/821656638.db2.gz UOUHMEIVIGCGEU-VXGBXAGGSA-N 1 0 394.865 4.463 20 0 GIADRO O=C(NC1CC[NH+](C2CC2)CC1)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000044775923 821659889 /nfs/dbraw/zinc/65/98/89/821659889.db2.gz UPUDYYXAWQRZDS-ZWKOTPCHSA-N 1 0 381.545 4.089 20 0 GIADRO COc1ccc2ccccc2c1-c1cc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)on1 ZINC000181150096 821665007 /nfs/dbraw/zinc/66/50/07/821665007.db2.gz AYQATQWXMOSFGU-GCJKJVERSA-N 1 0 391.515 4.420 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1Cl)c1ccc(OC(F)F)cc1 ZINC000044803114 821665253 /nfs/dbraw/zinc/66/52/53/821665253.db2.gz PQJWDOQPVYNAJP-OLZOCXBDSA-N 1 0 382.838 4.297 20 0 GIADRO CSC1(C[NH2+][C@@H]2CCCOc3c(Br)cccc32)CCOCC1 ZINC000181157826 821670409 /nfs/dbraw/zinc/67/04/09/821670409.db2.gz FVGAUZOTHYHATG-OAHLLOKOSA-N 1 0 386.355 4.165 20 0 GIADRO Fc1cccc([C@@H]([NH2+]C[C@@H]2COC3(CCOCC3)O2)c2cccc(Cl)c2)c1 ZINC000181160288 821671754 /nfs/dbraw/zinc/67/17/54/821671754.db2.gz VZORVANHXUXBKY-UXHICEINSA-N 1 0 391.870 4.080 20 0 GIADRO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](Cc4cnn(C)c4C(F)(F)F)C3)nc2c1 ZINC000181163112 821672951 /nfs/dbraw/zinc/67/29/51/821672951.db2.gz XGDGOEKDFMELPY-CYBMUJFWSA-N 1 0 377.414 4.003 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)COc3ccc(Cl)cc3)cc2)C1 ZINC000044877146 821675656 /nfs/dbraw/zinc/67/56/56/821675656.db2.gz GPHNJVIXPOGVAT-QGZVFWFLSA-N 1 0 386.923 4.267 20 0 GIADRO C[C@@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000044878886 821676140 /nfs/dbraw/zinc/67/61/40/821676140.db2.gz KJEYECJFUBEGRD-ZWKOTPCHSA-N 1 0 384.495 4.141 20 0 GIADRO COc1ccc(SCC(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000044879438 821676284 /nfs/dbraw/zinc/67/62/84/821676284.db2.gz DHMFIDWQCCOWNK-SFHVURJKSA-N 1 0 398.572 4.336 20 0 GIADRO O=C(NCCSCc1ccccc1F)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000044908995 821679739 /nfs/dbraw/zinc/67/97/39/821679739.db2.gz AIJOYVYSOGPHKO-IBGZPJMESA-N 1 0 386.536 4.087 20 0 GIADRO CSc1ccc(CN(C)C(=O)C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)cc1 ZINC000181179907 821681058 /nfs/dbraw/zinc/68/10/58/821681058.db2.gz WWDUBKFLLMATKJ-SIKLNZKXSA-N 1 0 398.572 4.124 20 0 GIADRO COc1ccc2oc(C)c(C(=O)NCc3ccccc3C[NH+]3CCCC3)c2c1 ZINC000044959659 821684042 /nfs/dbraw/zinc/68/40/42/821684042.db2.gz HJPYGJQXRKDROC-UHFFFAOYSA-N 1 0 378.472 4.276 20 0 GIADRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(F)c(Cl)c1F ZINC000181193360 821688437 /nfs/dbraw/zinc/68/84/37/821688437.db2.gz JQJCICGZEKRTQR-GFCCVEGCSA-N 1 0 384.879 4.322 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)c1[nH]c2ccccc2c1Cl)[NH+]1CCCC1 ZINC000045014362 821690862 /nfs/dbraw/zinc/69/08/62/821690862.db2.gz UEDDAWPLYWKRAP-SFHVURJKSA-N 1 0 397.906 4.397 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F)[NH+]1CCCC1 ZINC000045014456 821690891 /nfs/dbraw/zinc/69/08/91/821690891.db2.gz ZLHZOODCXIZCEE-NJAFHUGGSA-N 1 0 398.469 4.317 20 0 GIADRO O=C(C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1)Nc1nc2ccc(F)cc2s1 ZINC000181210278 821699012 /nfs/dbraw/zinc/69/90/12/821699012.db2.gz ZXWUJBXMBOQRRI-KSSFIOAISA-N 1 0 399.491 4.131 20 0 GIADRO O=C(C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1)Nc1cccc2c1N=S=N2 ZINC000181223432 821705126 /nfs/dbraw/zinc/70/51/26/821705126.db2.gz MHOQNFYTCUHQQE-KDOFPFPSSA-N 1 0 382.489 4.109 20 0 GIADRO CCC[C@H](NC(=O)C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1)c1ccccc1 ZINC000181226938 821706475 /nfs/dbraw/zinc/70/64/75/821706475.db2.gz KBTCYEWLGKARBR-VJBMBRPKSA-N 1 0 380.532 4.402 20 0 GIADRO CCOc1ccc(C[N@H+](CCCn2ccnc2)Cc2cccc(Cl)n2)cc1 ZINC000181232772 821709657 /nfs/dbraw/zinc/70/96/57/821709657.db2.gz GEGZSBFEVWEXBD-UHFFFAOYSA-N 1 0 384.911 4.423 20 0 GIADRO C[S@@](=O)c1ccc(C[NH2+][C@@H]2CCCOc3c(Br)cccc32)cc1 ZINC000181245145 821716559 /nfs/dbraw/zinc/71/65/59/821716559.db2.gz KYRWSEYFHBNTRA-UZUQRXQVSA-N 1 0 394.334 4.190 20 0 GIADRO Cc1cc2ncc([C@H](C)[NH2+][C@H]3CCN(c4ccc(F)c(Cl)c4)C3)c(C)n2n1 ZINC000181249100 821717563 /nfs/dbraw/zinc/71/75/63/821717563.db2.gz RIJBKMJQXIZOOC-ZFWWWQNUSA-N 1 0 387.890 4.068 20 0 GIADRO Cc1c([C@H](C)[NH2+]Cc2ccc([S@](C)=O)cc2)cnn1-c1cc(C)ccc1C ZINC000181248442 821717682 /nfs/dbraw/zinc/71/76/82/821717682.db2.gz DHWWDBDUTKVLOX-SOKVYYICSA-N 1 0 381.545 4.386 20 0 GIADRO Cc1cccc(C(C)C)c1NC(=O)C[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000181268930 821725499 /nfs/dbraw/zinc/72/54/99/821725499.db2.gz NLYJCLROQHHCRB-KRWDZBQOSA-N 1 0 395.503 4.364 20 0 GIADRO CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(NS(=O)(=O)CC)cc2)CCO1 ZINC000181271516 821726169 /nfs/dbraw/zinc/72/61/69/821726169.db2.gz OYGCDQHQXMWMHY-BEVDRBHNSA-N 1 0 382.570 4.083 20 0 GIADRO CC1(CNC(=O)[C@H](Sc2ccc(F)c(F)c2)c2ccccc2)CC[NH2+]CC1 ZINC000181274554 821728484 /nfs/dbraw/zinc/72/84/84/821728484.db2.gz ZKOJGAGMIOFZJK-LJQANCHMSA-N 1 0 390.499 4.304 20 0 GIADRO CCOc1ccc(C(C)=O)cc1C[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000181277661 821730069 /nfs/dbraw/zinc/73/00/69/821730069.db2.gz LECQPVZCJVZPTP-HNNXBMFYSA-N 1 0 382.460 4.095 20 0 GIADRO COc1cccc([C@@H]2[C@H]([NH2+][C@@H](C)c3ccc([S@](C)=O)cc3)CCN2C2CC2)c1 ZINC000181279765 821731669 /nfs/dbraw/zinc/73/16/69/821731669.db2.gz AQFYRDXDDQWSQC-OHZVSUETSA-N 1 0 398.572 4.061 20 0 GIADRO CC1(CNC(=O)c2oc3ccccc3c2COc2ccccc2)CC[NH2+]CC1 ZINC000181280787 821732400 /nfs/dbraw/zinc/73/24/00/821732400.db2.gz YHIVZYBEMQGFBF-UHFFFAOYSA-N 1 0 378.472 4.131 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)Nc1ccccc1)c1ccc(-c2cccnc2)cc1 ZINC000181287530 821736371 /nfs/dbraw/zinc/73/63/71/821736371.db2.gz PEYQJUDQPYJCTO-SJORKVTESA-N 1 0 388.471 4.136 20 0 GIADRO C[C@H]([NH2+]CCCS(=O)(=O)c1ccccc1)c1ccc(-c2cccnc2)cc1 ZINC000181290153 821737640 /nfs/dbraw/zinc/73/76/40/821737640.db2.gz UDXBUCJLCHNDJT-SFHVURJKSA-N 1 0 380.513 4.263 20 0 GIADRO C[C@@H]([NH2+]CCCS(=O)(=O)c1ccccc1)c1ccc(-c2cccnc2)cc1 ZINC000181290171 821737716 /nfs/dbraw/zinc/73/77/16/821737716.db2.gz UDXBUCJLCHNDJT-GOSISDBHSA-N 1 0 380.513 4.263 20 0 GIADRO CCc1cccc(CC)c1NC(=O)C[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000181301855 821744039 /nfs/dbraw/zinc/74/40/39/821744039.db2.gz IOJDCYSAUFHQHH-INIZCTEOSA-N 1 0 395.503 4.057 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)c1 ZINC000181311013 821748796 /nfs/dbraw/zinc/74/87/96/821748796.db2.gz GOHHNDDVPVPKNB-RYUDHWBXSA-N 1 0 382.430 4.432 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)cc1OC ZINC000181316198 821753934 /nfs/dbraw/zinc/75/39/34/821753934.db2.gz NVGUBGKNPRXTMC-RYUDHWBXSA-N 1 0 385.430 4.491 20 0 GIADRO Cc1cc(NC(=O)C[NH2+][C@@H](C)c2ccc(-c3cccnc3)cc2)n(C(C)(C)C)n1 ZINC000181315507 821754105 /nfs/dbraw/zinc/75/41/05/821754105.db2.gz XTTNTTJDZLKJIA-KRWDZBQOSA-N 1 0 391.519 4.298 20 0 GIADRO CCCc1c(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cnn1-c1ccccc1 ZINC000181318675 821756001 /nfs/dbraw/zinc/75/60/01/821756001.db2.gz YDHRMNUZRDPWJM-RBUKOAKNSA-N 1 0 394.563 4.208 20 0 GIADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000181323547 821758824 /nfs/dbraw/zinc/75/88/24/821758824.db2.gz WGWMGOOQOSRODN-MSOLQXFVSA-N 1 0 392.503 4.222 20 0 GIADRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@H]1CCCOc2c(F)cccc21 ZINC000181326977 821761274 /nfs/dbraw/zinc/76/12/74/821761274.db2.gz UGXGDWXPNDTZAT-WFASDCNBSA-N 1 0 377.847 4.095 20 0 GIADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@@H]1CCCOc2c(F)cccc21 ZINC000181326958 821761323 /nfs/dbraw/zinc/76/13/23/821761323.db2.gz UGXGDWXPNDTZAT-IUODEOHRSA-N 1 0 377.847 4.095 20 0 GIADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@H]1CCCOc2c(F)cccc21 ZINC000181326997 821761511 /nfs/dbraw/zinc/76/15/11/821761511.db2.gz UGXGDWXPNDTZAT-DOMZBBRYSA-N 1 0 377.847 4.095 20 0 GIADRO COc1cccc2[nH]cc(CC[NH2+][C@@H](C)c3ccc(NC(=O)NC4CC4)cc3)c21 ZINC000181337005 821768251 /nfs/dbraw/zinc/76/82/51/821768251.db2.gz HVQNCGIJJXKXEL-HNNXBMFYSA-N 1 0 392.503 4.354 20 0 GIADRO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)cc1C ZINC000181338905 821769769 /nfs/dbraw/zinc/76/97/69/821769769.db2.gz NEWWRNJHDLGWRK-MSOLQXFVSA-N 1 0 379.504 4.108 20 0 GIADRO Cc1cc(Cl)ccc1NC(=O)C[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000181356161 821783103 /nfs/dbraw/zinc/78/31/03/821783103.db2.gz LUKGQEYNLAAAAD-HNNXBMFYSA-N 1 0 385.895 4.065 20 0 GIADRO Cc1c([C@@H](C)[NH2+][C@H]2CCc3n[nH]cc3C2)cnn1-c1ccc(Cl)cc1Cl ZINC000181356349 821783937 /nfs/dbraw/zinc/78/39/37/821783937.db2.gz SPLMVCZDDLWKKD-ABAIWWIYSA-N 1 0 390.318 4.419 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+]CCNc2cccc(Br)c2)c1 ZINC000181358301 821785270 /nfs/dbraw/zinc/78/52/70/821785270.db2.gz GANRCBQTJKPWBL-ZDUSSCGKSA-N 1 0 376.298 4.170 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+]Cc2c(C)nn(-c3ccccc3)c2C)s1 ZINC000181371415 821793090 /nfs/dbraw/zinc/79/30/90/821793090.db2.gz CXNHLIUFJFVBIN-OAHLLOKOSA-N 1 0 384.549 4.294 20 0 GIADRO Cc1ccc(C[C@@H](C)C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)cc1 ZINC000181383077 821797543 /nfs/dbraw/zinc/79/75/43/821797543.db2.gz JMDXDCTVMKHYLI-LJQANCHMSA-N 1 0 379.548 4.343 20 0 GIADRO COc1ccc(C[NH2+][C@@H](C)c2ccc(OC)c(Cn3cccn3)c2)cc1Cl ZINC000181382611 821797640 /nfs/dbraw/zinc/79/76/40/821797640.db2.gz VAWFXJLGKPMRJN-HNNXBMFYSA-N 1 0 385.895 4.453 20 0 GIADRO Cc1sc(NC(=O)C[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)c(C)c1C ZINC000181383445 821798362 /nfs/dbraw/zinc/79/83/62/821798362.db2.gz QNJQBNABYAHANL-HNNXBMFYSA-N 1 0 385.533 4.089 20 0 GIADRO Cc1cc(Cl)ccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000181385655 821799218 /nfs/dbraw/zinc/79/92/18/821799218.db2.gz UPJXRGCSBZSDMM-HOTGVXAUSA-N 1 0 399.922 4.453 20 0 GIADRO COc1cc(C)c([C@H](C)[NH2+]C[C@@H](O)c2cccc(Br)c2)cc1OC ZINC000181389513 821800767 /nfs/dbraw/zinc/80/07/67/821800767.db2.gz AAIZUBHXUYBLNL-SUMWQHHRSA-N 1 0 394.309 4.159 20 0 GIADRO Cc1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)c1C ZINC000181392846 821803403 /nfs/dbraw/zinc/80/34/03/821803403.db2.gz BAQTXPITXNIMPY-MSOLQXFVSA-N 1 0 379.504 4.108 20 0 GIADRO Cc1cccc(C)c1NC(=O)CCC[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181399622 821806773 /nfs/dbraw/zinc/80/67/73/821806773.db2.gz AHNQMIPPLYZJJT-LJQANCHMSA-N 1 0 393.531 4.500 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+]Cc2ccc(OC)c(Br)c2)s1 ZINC000181408698 821810222 /nfs/dbraw/zinc/81/02/22/821810222.db2.gz LRRSIWUSLYZBGP-NSHDSACASA-N 1 0 399.354 4.262 20 0 GIADRO Cc1cccc(C)c1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181410039 821810505 /nfs/dbraw/zinc/81/05/05/821810505.db2.gz RKHBASDHILKSTO-ZWKOTPCHSA-N 1 0 379.504 4.108 20 0 GIADRO CC[C@H](NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccccc1OC(F)F ZINC000181409674 821810862 /nfs/dbraw/zinc/81/08/62/821810862.db2.gz ZAUCNNQCCZHPPW-OTWHNJEPSA-N 1 0 382.495 4.097 20 0 GIADRO Cc1cccc(C)c1NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181410075 821811424 /nfs/dbraw/zinc/81/14/24/821811424.db2.gz RKHBASDHILKSTO-QZTJIDSGSA-N 1 0 379.504 4.108 20 0 GIADRO Cc1cc(Cl)cc2c1OCCC[C@@H]2NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000181411643 821811766 /nfs/dbraw/zinc/81/17/66/821811766.db2.gz XBLBCFAIWNGCCF-HBMCJLEFSA-N 1 0 392.971 4.220 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+]CC(C)(C)c2ccc(OC)c(OC)c2)s1 ZINC000181414857 821813598 /nfs/dbraw/zinc/81/35/98/821813598.db2.gz FRDXCCUPZHURDC-CQSZACIVSA-N 1 0 392.565 4.286 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+]CCNc2ncc(Cl)cc2Cl)s1 ZINC000181424755 821820075 /nfs/dbraw/zinc/82/00/75/821820075.db2.gz ZUKKKNGPXMGBCS-JTQLQIEISA-N 1 0 389.352 4.105 20 0 GIADRO CCOc1cccc2cc([C@@H](C)[NH2+]Cc3ccc(Cn4cncn4)cc3)oc21 ZINC000181445105 821829452 /nfs/dbraw/zinc/82/94/52/821829452.db2.gz YASBUHBWGFXHFZ-MRXNPFEDSA-N 1 0 376.460 4.322 20 0 GIADRO C[C@@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[N@H+](C)CCc1ccncc1 ZINC000181446376 821829959 /nfs/dbraw/zinc/82/99/59/821829959.db2.gz LKKVERVGNLAVSP-KRWDZBQOSA-N 1 0 395.503 4.015 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@H]2CCO[C@]3(CCSC3)C2)cc1Br ZINC000181447378 821830360 /nfs/dbraw/zinc/83/03/60/821830360.db2.gz UDKYVEDFDFSQLT-HACGYAERSA-N 1 0 386.355 4.163 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(Br)cc1N1CCOCC1)c1ccc(F)cc1 ZINC000181458700 821835274 /nfs/dbraw/zinc/83/52/74/821835274.db2.gz KZRHWSCXJJZRQJ-CQSZACIVSA-N 1 0 393.300 4.276 20 0 GIADRO CCOc1c(Cl)cc(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1OC ZINC000181465310 821838610 /nfs/dbraw/zinc/83/86/10/821838610.db2.gz YSILJYOVRCGPFT-GJZGRUSLSA-N 1 0 394.943 4.130 20 0 GIADRO COc1cc(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)ccc1OCC(C)C ZINC000181473959 821842194 /nfs/dbraw/zinc/84/21/94/821842194.db2.gz DGKCNVYLNFINCV-IEBWSBKVSA-N 1 0 388.552 4.113 20 0 GIADRO COCCOc1ccc(C[NH2+][C@@H](C)c2ccc(OC)cc2Br)cc1 ZINC000181491203 821850442 /nfs/dbraw/zinc/85/04/42/821850442.db2.gz SJSRZNGRRNAJCS-AWEZNQCLSA-N 1 0 394.309 4.334 20 0 GIADRO Cc1cc(Br)ccc1C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181493351 821851489 /nfs/dbraw/zinc/85/14/89/821851489.db2.gz BGJIWRLUVCPQOT-LSDHHAIUSA-N 1 0 379.342 4.140 20 0 GIADRO CCCCO[C@H]1C[C@H]([NH2+]C2CCN(C(=O)c3ccccc3F)CC2)C1(C)C ZINC000181497082 821854175 /nfs/dbraw/zinc/85/41/75/821854175.db2.gz MXIRZDGXTHGBHS-PMACEKPBSA-N 1 0 376.516 4.004 20 0 GIADRO CC(C)[C@H]([NH2+]Cc1cc(=O)n2ccccc2n1)c1ccc(C(F)(F)F)cc1 ZINC000181505259 821856899 /nfs/dbraw/zinc/85/68/99/821856899.db2.gz IDJYBJKWKDVVIQ-IBGZPJMESA-N 1 0 375.394 4.200 20 0 GIADRO Cc1noc2nc(C(C)C)cc(C(=O)N[C@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)c12 ZINC000181517812 821863619 /nfs/dbraw/zinc/86/36/19/821863619.db2.gz BIEWLFDADBNECH-ZBFHGGJFSA-N 1 0 384.524 4.037 20 0 GIADRO O=C1c2ccccc2C(=O)N1CCCCCC[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000181521957 821865193 /nfs/dbraw/zinc/86/51/93/821865193.db2.gz HHLCGFWOFLOMQE-OAQYLSRUSA-N 1 0 377.488 4.075 20 0 GIADRO C[C@H](NC(=O)CCc1ccc(Br)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181521685 821865305 /nfs/dbraw/zinc/86/53/05/821865305.db2.gz SGXGIRHGDMJHQW-DOTOQJQBSA-N 1 0 393.369 4.151 20 0 GIADRO Cc1ccc(-c2nc(C)c(C(=O)N[C@@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)s2)o1 ZINC000181528658 821867201 /nfs/dbraw/zinc/86/72/01/821867201.db2.gz HSMIOPLQHKWEDM-GOEBONIOSA-N 1 0 387.549 4.403 20 0 GIADRO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2cccc(O)c2)c(Br)c1 ZINC000181528910 821868079 /nfs/dbraw/zinc/86/80/79/821868079.db2.gz BPFWPASVICLQTK-OLZOCXBDSA-N 1 0 377.282 4.141 20 0 GIADRO Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)n(-c2ccccc2)n1 ZINC000181530671 821868632 /nfs/dbraw/zinc/86/86/32/821868632.db2.gz MFAVSUPBLHLCEW-IEBWSBKVSA-N 1 0 386.503 4.043 20 0 GIADRO O=C(NCc1ccncc1)Nc1cccc(C[NH2+]Cc2cccc3cnccc32)c1 ZINC000181530410 821868681 /nfs/dbraw/zinc/86/86/81/821868681.db2.gz RVXOPEOCGKKWPV-UHFFFAOYSA-N 1 0 397.482 4.241 20 0 GIADRO Cc1cc(C[C@H](C)[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)n(-c2ccccc2)n1 ZINC000181531474 821869275 /nfs/dbraw/zinc/86/92/75/821869275.db2.gz ULIUZUHZFMYHTK-JYAKTIFJSA-N 1 0 381.545 4.200 20 0 GIADRO CCCCOc1ccc(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1OC ZINC000181533422 821870739 /nfs/dbraw/zinc/87/07/39/821870739.db2.gz HASVANKQLLYCNR-PKOBYXMFSA-N 1 0 388.552 4.257 20 0 GIADRO COc1cc(NC(=O)C[NH2+][C@H](C)[C@H](C)c2ccccc2)c(OC)cc1Cl ZINC000181536772 821871920 /nfs/dbraw/zinc/87/19/20/821871920.db2.gz XYOUJXMNYNWOGY-UONOGXRCSA-N 1 0 376.884 4.078 20 0 GIADRO CCc1ccccc1NC(=O)C[C@H](C)[NH2+]CCOc1ncccc1C(F)(F)F ZINC000181539080 821873111 /nfs/dbraw/zinc/87/31/11/821873111.db2.gz VPSOSWMCGPVCCO-AWEZNQCLSA-N 1 0 395.425 4.049 20 0 GIADRO C[C@H](CC(=O)NC1CC[NH+](C2CCCCC2)CC1)C(=O)c1ccc(Cl)cc1 ZINC000181539948 821873773 /nfs/dbraw/zinc/87/37/73/821873773.db2.gz GZPOOFXGHNOXTO-MRXNPFEDSA-N 1 0 390.955 4.462 20 0 GIADRO Cc1c(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cnn1-c1cc(C)ccc1C ZINC000181549077 821877067 /nfs/dbraw/zinc/87/70/67/821877067.db2.gz POAICJKSLKQRQO-UYAOXDASSA-N 1 0 394.563 4.180 20 0 GIADRO O=C(Cc1nc(C[NH2+][C@@H](Cc2ccccc2)C2CC2)cs1)Nc1ccccc1 ZINC000181553941 821878682 /nfs/dbraw/zinc/87/86/82/821878682.db2.gz GVTBAZADHXOVPE-NRFANRHFSA-N 1 0 391.540 4.435 20 0 GIADRO C[C@H]([NH2+]C[C@H](c1ccccc1)C(C)(C)CO)c1ncc(Br)s1 ZINC000181555751 821879750 /nfs/dbraw/zinc/87/97/50/821879750.db2.gz ULSXHEMGIZKAMH-GXTWGEPZSA-N 1 0 383.355 4.359 20 0 GIADRO C[C@@H]([NH2+]CCc1nnc(-c2ccccc2)o1)c1ccc(Br)s1 ZINC000181557450 821879998 /nfs/dbraw/zinc/87/99/98/821879998.db2.gz CZYHMOQYKGOPMJ-LLVKDONJSA-N 1 0 378.295 4.454 20 0 GIADRO C[C@H]([NH2+]CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1)c1cccc(O)c1 ZINC000181556330 821880175 /nfs/dbraw/zinc/88/01/75/821880175.db2.gz XSRQRRAYCWQDJH-AWEZNQCLSA-N 1 0 392.421 4.253 20 0 GIADRO C[C@@H]([NH2+]CC1(CO)CCOCC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000181565400 821883080 /nfs/dbraw/zinc/88/30/80/821883080.db2.gz AOXSJJBSLNHCBX-LLVKDONJSA-N 1 0 385.348 4.164 20 0 GIADRO COc1cccc2cc([C@H](C)[NH2+]Cc3cccc(NC(=O)[C@H]4CCCO4)c3)oc21 ZINC000181572794 821885153 /nfs/dbraw/zinc/88/51/53/821885153.db2.gz FWKYEXXDAGRMTH-MGPUTAFESA-N 1 0 394.471 4.410 20 0 GIADRO C[C@@H]([NH2+]Cc1cc(=O)oc2cc(O)ccc12)c1ccc(OCC2CC2)c(F)c1 ZINC000181580109 821887523 /nfs/dbraw/zinc/88/75/23/821887523.db2.gz JFLDTJBUFGAMGU-CYBMUJFWSA-N 1 0 383.419 4.277 20 0 GIADRO CCOc1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000181585356 821890180 /nfs/dbraw/zinc/89/01/80/821890180.db2.gz XSJITRFOGQZECC-HNNXBMFYSA-N 1 0 386.467 4.303 20 0 GIADRO C[N@@H+]1CCCN(C(=O)Nc2ccc(Oc3cccc(F)c3)c3ccncc23)CC1 ZINC000181587023 821891641 /nfs/dbraw/zinc/89/16/41/821891641.db2.gz PUIYUHWLQIDFBJ-UHFFFAOYSA-N 1 0 394.450 4.336 20 0 GIADRO COc1ccc2c(c1)[C@@H]([NH2+]C1CCN([C@H](C)c3ccncc3)CC1)CCCO2 ZINC000181593146 821894344 /nfs/dbraw/zinc/89/43/44/821894344.db2.gz ZNFQNWGTTTYQGT-VGSWGCGISA-N 1 0 381.520 4.119 20 0 GIADRO O=C1[C@@H]([NH2+][C@H](Cc2cccc(F)c2)c2cccc(F)c2)CCN1CC(F)(F)F ZINC000181594717 821894997 /nfs/dbraw/zinc/89/49/97/821894997.db2.gz RTAHDNZCKJWUMY-ZWKOTPCHSA-N 1 0 398.375 4.001 20 0 GIADRO COCCCOc1cccc(C[NH2+][C@H](C)c2ccc(-n3ccnc3C)cc2)c1 ZINC000181601455 821897930 /nfs/dbraw/zinc/89/79/30/821897930.db2.gz WNEHAEZIXDXTCF-GOSISDBHSA-N 1 0 379.504 4.447 20 0 GIADRO CC(C)(C)[C@H]([NH2+]CCC(=O)Nc1cc(N)ccc1F)c1ccc(F)cc1F ZINC000181617554 821905484 /nfs/dbraw/zinc/90/54/84/821905484.db2.gz MBQAUNLGLMUOHT-LJQANCHMSA-N 1 0 379.426 4.392 20 0 GIADRO CCCc1nc(CN[C@@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)cs1 ZINC000181626614 821910826 /nfs/dbraw/zinc/91/08/26/821910826.db2.gz ZPLBALUDSLXBJZ-INIZCTEOSA-N 1 0 390.572 4.227 20 0 GIADRO C[C@H](NC(=O)c1cnn(-c2ccccc2)c1C1CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181633474 821914483 /nfs/dbraw/zinc/91/44/83/821914483.db2.gz CAFMFYLJBYEIOH-HKUYNNGSSA-N 1 0 392.547 4.133 20 0 GIADRO COC[C@H]([NH2+]CC(=O)N1CCCCC[C@H]1c1ccc(OC)cc1)c1ccccc1 ZINC000181658531 821927371 /nfs/dbraw/zinc/92/73/71/821927371.db2.gz OUVCFXTWTCVFNA-GOTSBHOMSA-N 1 0 396.531 4.116 20 0 GIADRO COc1cc(C[N@H+](C)CC2CCN(C(=O)C(C)(C)C)CC2)ccc1SC ZINC000181664523 821931280 /nfs/dbraw/zinc/93/12/80/821931280.db2.gz RAYZAMOVYNDYIC-UHFFFAOYSA-N 1 0 378.582 4.134 20 0 GIADRO Cc1c(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cccc1-c1ccccn1 ZINC000181663996 821931379 /nfs/dbraw/zinc/93/13/79/821931379.db2.gz UDQPHAGUARVMKM-RBUKOAKNSA-N 1 0 377.532 4.440 20 0 GIADRO CC[C@@H](CSc1ccccc1)[NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000181667177 821933614 /nfs/dbraw/zinc/93/36/14/821933614.db2.gz QIEOCVQHWRLATE-ZBFHGGJFSA-N 1 0 381.538 4.451 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1Cl)c1cccs1 ZINC000181680507 821940687 /nfs/dbraw/zinc/94/06/87/821940687.db2.gz WLQLBEFQMJPXIF-CYBMUJFWSA-N 1 0 376.831 4.453 20 0 GIADRO CCCCNC(=O)C1CCN(Cc2nc(-c3c(F)cccc3F)cs2)CC1 ZINC000181686078 821943715 /nfs/dbraw/zinc/94/37/15/821943715.db2.gz YAFNQVSUURPVTC-UHFFFAOYSA-N 1 0 393.503 4.217 20 0 GIADRO COC(=O)c1ccc(CN[C@H](C)c2nc(-c3ccccc3)cs2)cc1OC ZINC000181686186 821943833 /nfs/dbraw/zinc/94/38/33/821943833.db2.gz HQHAVBVWKLJOIR-CQSZACIVSA-N 1 0 382.485 4.456 20 0 GIADRO COC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(F)c(Br)c2)cc1OC ZINC000181687349 821944434 /nfs/dbraw/zinc/94/44/34/821944434.db2.gz YLOJRUZCBYFRLZ-NSHDSACASA-N 1 0 396.256 4.234 20 0 GIADRO C[C@@H]1CO[C@H](c2ccccc2Cl)CN1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000181698473 821948493 /nfs/dbraw/zinc/94/84/93/821948493.db2.gz DMHFFMGAJONNGC-UZLBHIALSA-N 1 0 392.971 4.387 20 0 GIADRO Brc1ccc2c(c1)[C@H]([NH2+][C@H]1CCN(c3ccccn3)C1)CCS2 ZINC000181703131 821950540 /nfs/dbraw/zinc/95/05/40/821950540.db2.gz CWZFOZTXWKWWOD-GOEBONIOSA-N 1 0 390.350 4.250 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)cc1NC(C)=O ZINC000181708642 821953211 /nfs/dbraw/zinc/95/32/11/821953211.db2.gz KIZXUAQMEHCLOL-PLMTUMEDSA-N 1 0 382.504 4.472 20 0 GIADRO O=C1Nc2ccccc2C12CCC([NH2+]CCOCc1ccc(Cl)cc1)CC2 ZINC000181711369 821955004 /nfs/dbraw/zinc/95/50/04/821955004.db2.gz ABTKZTZCJMNGOR-UHFFFAOYSA-N 1 0 384.907 4.279 20 0 GIADRO Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@H](CC(C)C)c1ccccc1OCC(C)C ZINC000181721590 821960898 /nfs/dbraw/zinc/96/08/98/821960898.db2.gz KJVSGVGZRWEAIZ-LJQANCHMSA-N 1 0 386.540 4.377 20 0 GIADRO CCc1nn(C)c(CC)c1C[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000181724486 821962661 /nfs/dbraw/zinc/96/26/61/821962661.db2.gz NGRBUHLAJWIKKX-ZDUSSCGKSA-N 1 0 396.457 4.071 20 0 GIADRO CCO[C@H]1C[C@@H]([NH2+]CC2CCN(Cc3nc(C)c(C)o3)CC2)C12CCCCC2 ZINC000181740860 821971479 /nfs/dbraw/zinc/97/14/79/821971479.db2.gz BEOBROLPYQCJLS-RTWAWAEBSA-N 1 0 389.584 4.221 20 0 GIADRO Cc1cccc(Oc2ncccc2NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1C ZINC000181743503 821972625 /nfs/dbraw/zinc/97/26/25/821972625.db2.gz LQDAGRYRIDLYLU-LJQANCHMSA-N 1 0 394.519 4.440 20 0 GIADRO CCCCC[C@H]([NH2+]CC(=O)Nc1ccc(C(=O)N(C)C)cc1)c1ccccc1 ZINC000181743595 821972707 /nfs/dbraw/zinc/97/27/07/821972707.db2.gz DAMXPHIENWRKPT-NRFANRHFSA-N 1 0 381.520 4.238 20 0 GIADRO Fc1ccc(-c2nc(CC[NH2+]Cc3c(C4CC4)nc4sccn34)co2)cc1 ZINC000181767420 821984259 /nfs/dbraw/zinc/98/42/59/821984259.db2.gz YHGQYIKVOIKJHB-UHFFFAOYSA-N 1 0 382.464 4.400 20 0 GIADRO C[C@H]([NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl)c1cncc(F)c1 ZINC000181768589 821984745 /nfs/dbraw/zinc/98/47/45/821984745.db2.gz PIJKBFCNNPZZAU-JTQLQIEISA-N 1 0 377.769 4.408 20 0 GIADRO CCN(CC)C(=O)c1ccc(NC(=O)C[NH2+][C@@H](C)C(C)(C)c2ccccc2)cc1 ZINC000181775764 821987508 /nfs/dbraw/zinc/98/75/08/821987508.db2.gz AIVQEGKVPTWABR-SFHVURJKSA-N 1 0 395.547 4.063 20 0 GIADRO COc1ccc(OC)c(CCC[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)c1 ZINC000181779392 821988680 /nfs/dbraw/zinc/98/86/80/821988680.db2.gz MMSQIYHCAQILPK-UHFFFAOYSA-N 1 0 394.515 4.059 20 0 GIADRO COc1ccc(OC)c(CCC[NH2+][C@H](C)c2ccc(NC(=O)NC3CC3)cc2)c1 ZINC000181780190 821989506 /nfs/dbraw/zinc/98/95/06/821989506.db2.gz ZRUVWRKQTWUBMJ-MRXNPFEDSA-N 1 0 397.519 4.271 20 0 GIADRO COc1ccc(OC)c(CCC[NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)c1 ZINC000181780170 821989591 /nfs/dbraw/zinc/98/95/91/821989591.db2.gz ZRUVWRKQTWUBMJ-INIZCTEOSA-N 1 0 397.519 4.271 20 0 GIADRO CCC[C@@H]([NH2+]CC(=O)N[C@H](c1nccs1)c1ccccc1)c1ccccc1 ZINC000181787827 821992697 /nfs/dbraw/zinc/99/26/97/821992697.db2.gz UNOHMXIFODXUAP-CTNGQTDRSA-N 1 0 379.529 4.480 20 0 GIADRO CC(C)Cn1cc(C[NH2+]C2(c3ccc(Br)cc3)CCOCC2)cn1 ZINC000181795569 821995856 /nfs/dbraw/zinc/99/58/56/821995856.db2.gz ZSUHARULHVBWRO-UHFFFAOYSA-N 1 0 392.341 4.097 20 0 GIADRO C[C@H]([NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(Br)s1 ZINC000181800153 821997542 /nfs/dbraw/zinc/99/75/42/821997542.db2.gz DSXGERWVIDRTQS-ZFWWWQNUSA-N 1 0 393.350 4.210 20 0 GIADRO CC(C)Cn1cc(C[NH2+]Cc2ccc(C(=O)Nc3ccc(F)cc3)cc2)cn1 ZINC000181801985 821998869 /nfs/dbraw/zinc/99/88/69/821998869.db2.gz HKLBZQTVSZFEHN-UHFFFAOYSA-N 1 0 380.467 4.220 20 0 GIADRO O=C1C[C@@H](C[NH2+][C@H]2CCCOc3c(Cl)cccc32)CN1Cc1ccccc1 ZINC000181812601 822003083 /nfs/dbraw/zinc/00/30/83/822003083.db2.gz TYYMMSRUNQOZTM-PXNSSMCTSA-N 1 0 384.907 4.192 20 0 GIADRO C[C@H]([NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1cccc(C(F)(F)F)c1 ZINC000181818537 822004882 /nfs/dbraw/zinc/00/48/82/822004882.db2.gz MCTCKQDOQNSXLW-RDJZCZTQSA-N 1 0 376.422 4.405 20 0 GIADRO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000181822225 822006402 /nfs/dbraw/zinc/00/64/02/822006402.db2.gz RRADEFRBUNWQJB-CRAIPNDOSA-N 1 0 385.577 4.448 20 0 GIADRO O=C1C[C@H](C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)CN1Cc1ccccc1 ZINC000181826536 822008742 /nfs/dbraw/zinc/00/87/42/822008742.db2.gz NHJZCWOOOJWWNP-TZIWHRDSSA-N 1 0 376.500 4.071 20 0 GIADRO CC[C@H]([NH2+]CC(=O)N[C@H](c1nccs1)c1ccccc1)c1ccc(OC)cc1 ZINC000181843798 822015013 /nfs/dbraw/zinc/01/50/13/822015013.db2.gz GQFPJPSKZWSTNG-FPOVZHCZSA-N 1 0 395.528 4.098 20 0 GIADRO C[C@H]([NH2+]CC(=O)N(C)c1nc2ccccc2s1)c1cccc(N2CCCC2)c1 ZINC000181857406 822017908 /nfs/dbraw/zinc/01/79/08/822017908.db2.gz KLVGIESNQNUZDO-INIZCTEOSA-N 1 0 394.544 4.210 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)COCc1ccc(Cl)cc1)c1cccc(N2CCCC2)c1 ZINC000181864512 822020551 /nfs/dbraw/zinc/02/05/51/822020551.db2.gz KMBSSGFUBLPFRN-JTSKRJEESA-N 1 0 388.939 4.169 20 0 GIADRO Cc1sc2[nH]c(C[NH2+][C@@H](C)c3cccc(N4CCCC4)c3)nc(=O)c2c1C ZINC000181887806 822026854 /nfs/dbraw/zinc/02/68/54/822026854.db2.gz XLTGXWLLQLFGKG-AWEZNQCLSA-N 1 0 382.533 4.052 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(F)cc1Cl)c1cccc(N2CCCC2)c1 ZINC000181891911 822028856 /nfs/dbraw/zinc/02/88/56/822028856.db2.gz UJTFCXDTSDVSJK-CQSZACIVSA-N 1 0 375.875 4.369 20 0 GIADRO CC[C@H](c1nnc(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)s1)c1ccccc1 ZINC000181900110 822031205 /nfs/dbraw/zinc/03/12/05/822031205.db2.gz OSXOAFRXHAUFPG-AEFFLSMTSA-N 1 0 399.564 4.030 20 0 GIADRO CC(=O)c1cccc(NC(=O)C[NH2+][C@H](C)c2cccc(OC(F)(F)F)c2)c1 ZINC000181901811 822031509 /nfs/dbraw/zinc/03/15/09/822031509.db2.gz RLTMWPSGXOHSEX-GFCCVEGCSA-N 1 0 380.366 4.077 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N1CCC[C@@H](C(F)(F)F)C1)c1cccc(OC(F)(F)F)c1 ZINC000181906386 822033408 /nfs/dbraw/zinc/03/34/08/822033408.db2.gz MCRXZWWQAAQNKE-DGCLKSJQSA-N 1 0 398.347 4.037 20 0 GIADRO C[C@H]([NH2+]CCc1cccc(C(N)=O)c1)c1cc2cc(Br)ccc2o1 ZINC000181931020 822038796 /nfs/dbraw/zinc/03/87/96/822038796.db2.gz AHGCUECUUKDFPF-LBPRGKRZSA-N 1 0 387.277 4.188 20 0 GIADRO CS(=O)(=O)c1ccc([C@H](O)C[NH2+][C@@H](CC2CCCC2)c2ccccc2)cc1 ZINC000181941860 822041456 /nfs/dbraw/zinc/04/14/56/822041456.db2.gz GPFQMHLTRHVQGF-FCHUYYIVSA-N 1 0 387.545 4.035 20 0 GIADRO CC(C)(C)C[C@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)c1ccccc1 ZINC000181954176 822044434 /nfs/dbraw/zinc/04/44/34/822044434.db2.gz JPKFEQILWPRGGS-KRWDZBQOSA-N 1 0 388.524 4.018 20 0 GIADRO CC(=O)Nc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(NC(=O)NC3CC3)cc2)cc1 ZINC000181954412 822044604 /nfs/dbraw/zinc/04/46/04/822044604.db2.gz UTTQCRJRXCCXCK-LSDHHAIUSA-N 1 0 380.492 4.341 20 0 GIADRO COc1cccc([C@@H]2[C@@H](NC(=O)N(C)[C@@H](C)c3cccs3)CC[N@@H+]2C2CC2)c1 ZINC000181988172 822054600 /nfs/dbraw/zinc/05/46/00/822054600.db2.gz INYILYXGIZTJIF-PAXLWEDBSA-N 1 0 399.560 4.437 20 0 GIADRO C[C@@H]([NH2+]CCCOC1CCOCC1)c1cc2cc(Br)ccc2o1 ZINC000181988703 822055104 /nfs/dbraw/zinc/05/51/04/822055104.db2.gz JKIQNXQQFHWONM-CYBMUJFWSA-N 1 0 382.298 4.432 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CC1CCC(C(F)(F)F)CC1 ZINC000181991915 822056103 /nfs/dbraw/zinc/05/61/03/822056103.db2.gz XLSITHVYQQPFLZ-UHFFFAOYSA-N 1 0 397.485 4.444 20 0 GIADRO COc1ccc(C2(C[NH2+][C@@H](C)c3ccc(NC(C)=O)cc3)CCOCC2)cc1 ZINC000181994010 822056837 /nfs/dbraw/zinc/05/68/37/822056837.db2.gz RMYQZKDBIOCVQO-KRWDZBQOSA-N 1 0 382.504 4.053 20 0 GIADRO Fc1ccc2c(c1)OCCC[C@H]2[NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000181998420 822058217 /nfs/dbraw/zinc/05/82/17/822058217.db2.gz FTAJGZWUUGVDDV-LJQANCHMSA-N 1 0 399.462 4.106 20 0 GIADRO Cc1ccccc1-c1cc(C(=O)N(C)CCC[NH+](C)C)c2cnn(C(C)C)c2n1 ZINC000182002290 822058789 /nfs/dbraw/zinc/05/87/89/822058789.db2.gz DKCDRXWATOEBAQ-UHFFFAOYSA-N 1 0 393.535 4.011 20 0 GIADRO C[C@H]([NH2+][C@H](CC(N)=O)C1CCCCC1)c1ncc(-c2ccc(Cl)cc2)o1 ZINC000182011029 822061262 /nfs/dbraw/zinc/06/12/62/822061262.db2.gz VXDZIVVXMWPCSJ-SUMWQHHRSA-N 1 0 375.900 4.470 20 0 GIADRO O=C(Nc1cccc(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1)C1CCCCC1 ZINC000182011518 822061757 /nfs/dbraw/zinc/06/17/57/822061757.db2.gz BWHGKJUJSJLEHL-GOSISDBHSA-N 1 0 398.551 4.155 20 0 GIADRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(NC(=O)C2CCCCC2)c1 ZINC000182011679 822061838 /nfs/dbraw/zinc/06/18/38/822061838.db2.gz AAWXTTOZZZCNGM-NHCUHLMSSA-N 1 0 398.551 4.296 20 0 GIADRO C[C@H]([NH2+]Cc1cn2cccnc2n1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000182018233 822064135 /nfs/dbraw/zinc/06/41/35/822064135.db2.gz TUPAIDZSXYKEHM-INIZCTEOSA-N 1 0 376.435 4.298 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CC(=O)N(C)[C@H](C)c2cc3ccccc3o2)cc1F ZINC000182023480 822065804 /nfs/dbraw/zinc/06/58/04/822065804.db2.gz WTAKKGLLYIZCQB-HUUCEWRRSA-N 1 0 384.451 4.451 20 0 GIADRO CCOc1cccc2cc([C@H](C)NC3CC[NH+]([C@H]4CCCC[C@@H]4O)CC3)oc21 ZINC000182029186 822067601 /nfs/dbraw/zinc/06/76/01/822067601.db2.gz NOIHUURAQQCQIY-VDGAXYAQSA-N 1 0 386.536 4.250 20 0 GIADRO CCOc1ccc(C(=O)N2CCC([NH2+]C[C@H](C)Cc3ccccc3)CC2)cc1 ZINC000182057376 822076848 /nfs/dbraw/zinc/07/68/48/822076848.db2.gz OHASQHXASPMDLL-LJQANCHMSA-N 1 0 380.532 4.158 20 0 GIADRO O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)c1cccc(-c2ccoc2)c1 ZINC000182058507 822077403 /nfs/dbraw/zinc/07/74/03/822077403.db2.gz SHYRBLVNNZXGLX-UHFFFAOYSA-N 1 0 376.456 4.156 20 0 GIADRO O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)c1ccc2ccc(Cl)cc2n1 ZINC000182065386 822079535 /nfs/dbraw/zinc/07/95/35/822079535.db2.gz BKGWXPOZVVFXOR-UHFFFAOYSA-N 1 0 395.890 4.097 20 0 GIADRO CCOc1cccc2cc([C@H](C)[NH2+]Cc3ccc(C(=O)OC)c(OC)c3)oc21 ZINC000182068888 822080607 /nfs/dbraw/zinc/08/06/07/822080607.db2.gz MSDRAFGCXYKTKP-AWEZNQCLSA-N 1 0 383.444 4.478 20 0 GIADRO CC(=O)Nc1ccc([C@@H](C)[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)cc1 ZINC000182091247 822090250 /nfs/dbraw/zinc/09/02/50/822090250.db2.gz WIDRJEIEKCKTPY-ZCGYKAAXSA-N 1 0 375.513 4.132 20 0 GIADRO CNC(=O)c1cccc(CC[NH2+]C2CCC(O)(c3ccc(C(C)C)cc3)CC2)c1 ZINC000182092587 822090874 /nfs/dbraw/zinc/09/08/74/822090874.db2.gz YKVBFNZGPMYNDG-UHFFFAOYSA-N 1 0 394.559 4.132 20 0 GIADRO CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC000182111268 822098052 /nfs/dbraw/zinc/09/80/52/822098052.db2.gz UQQCNQULPDVWSR-GDIGMMSISA-N 1 0 375.513 4.132 20 0 GIADRO Cc1cccc([C@H](NC(=O)NCC[C@@H](C)[NH+]2CCCCC2)c2ccccn2)c1 ZINC000182111314 822098194 /nfs/dbraw/zinc/09/81/94/822098194.db2.gz MLJZOHTWBPLCFQ-KNQAVFIVSA-N 1 0 380.536 4.043 20 0 GIADRO COc1cc2[nH]c(CCC[NH2+][C@H](C)c3ccc(NC(C)=O)cc3)cc2c(OC)c1 ZINC000182113830 822098950 /nfs/dbraw/zinc/09/89/50/822098950.db2.gz KNNONIWTYUHLBM-OAHLLOKOSA-N 1 0 395.503 4.427 20 0 GIADRO CCCC(=O)Nc1ccc(Cl)c(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000182128854 822107804 /nfs/dbraw/zinc/10/78/04/822107804.db2.gz GVMUHYPHCKTZKA-OAHLLOKOSA-N 1 0 392.931 4.028 20 0 GIADRO CCc1noc(-c2ccc(CC[NH2+][C@H](C)c3ccc(NC(C)=O)cc3)cc2)n1 ZINC000182130951 822109144 /nfs/dbraw/zinc/10/91/44/822109144.db2.gz VHAWSUHXTKWAHT-OAHLLOKOSA-N 1 0 378.476 4.151 20 0 GIADRO Cc1ccoc1C(=O)NCCC[NH2+]C1CCC(O)(c2ccc(C(C)C)cc2)CC1 ZINC000182141711 822114270 /nfs/dbraw/zinc/11/42/70/822114270.db2.gz GHDRMMTWJGDJTQ-UHFFFAOYSA-N 1 0 398.547 4.251 20 0 GIADRO C[C@H](Nc1ccc(OC[C@@H]2CCCO2)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000182143312 822115722 /nfs/dbraw/zinc/11/57/22/822115722.db2.gz HABCCOGUMNDEFZ-MBSDFSHPSA-N 1 0 384.520 4.358 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1cccc(N2CCOC2=O)c1 ZINC000182163383 822125436 /nfs/dbraw/zinc/12/54/36/822125436.db2.gz JCIIAGNUCPGFKD-CJMONDIMSA-N 1 0 388.414 4.102 20 0 GIADRO COCC[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000182163579 822126095 /nfs/dbraw/zinc/12/60/95/822126095.db2.gz MEPMRJSEHXAEFD-DUXKGJEZSA-N 1 0 379.422 4.171 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCCOc2cc(Cl)ccc21)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000182171580 822130069 /nfs/dbraw/zinc/13/00/69/822130069.db2.gz PRJZKYJYUUDYRN-YVEFUNNKSA-N 1 0 397.899 4.447 20 0 GIADRO COCCOC[C@@H]1CC[N@H+](Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)C1 ZINC000182201446 822144670 /nfs/dbraw/zinc/14/46/70/822144670.db2.gz FGEQXQHGMRKOBO-OAHLLOKOSA-N 1 0 383.410 4.450 20 0 GIADRO C[C@@H](CCNC(=O)Cc1csc(-c2ccc(Cl)s2)n1)[NH+]1CCCCC1 ZINC000182223174 822154938 /nfs/dbraw/zinc/15/49/38/822154938.db2.gz ACYXRDUJLLQMMO-ZDUSSCGKSA-N 1 0 397.997 4.448 20 0 GIADRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+]Cc1cccs1 ZINC000182238872 822162042 /nfs/dbraw/zinc/16/20/42/822162042.db2.gz WXAPEIJXWSEMGS-UHFFFAOYSA-N 1 0 398.322 4.051 20 0 GIADRO CCOc1cccc2cc([C@H](C)NC(=O)N3CCC[C@@H]4C[N@H+](C)CC[C@@H]43)oc21 ZINC000182248386 822166626 /nfs/dbraw/zinc/16/66/26/822166626.db2.gz WZPUJMTUMWFTMF-JQHSSLGASA-N 1 0 385.508 4.018 20 0 GIADRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](c1cccs1)c1ccc2c(c1)CCCC2 ZINC000182248809 822167724 /nfs/dbraw/zinc/16/77/24/822167724.db2.gz ZEUNNGQIFGRYHK-QRWLVFNGSA-N 1 0 377.575 4.129 20 0 GIADRO CC[C@@H]([NH2+]CC(=O)Nc1cc2oc3ccccc3c2cc1OC)[C@@H]1CCCO1 ZINC000182251142 822168927 /nfs/dbraw/zinc/16/89/27/822168927.db2.gz XIVMQKXIDZBMJJ-APWZRJJASA-N 1 0 382.460 4.080 20 0 GIADRO CC[C@H]([NH2+]CC(=O)Nc1cc2oc3ccccc3c2cc1OC)[C@H]1CCCO1 ZINC000182251160 822168975 /nfs/dbraw/zinc/16/89/75/822168975.db2.gz XIVMQKXIDZBMJJ-QFBILLFUSA-N 1 0 382.460 4.080 20 0 GIADRO CCOc1ccc(-c2nc(C[NH2+][C@H](CC)[C@H]3CCCO3)cs2)cc1OC ZINC000182309229 822197838 /nfs/dbraw/zinc/19/78/38/822197838.db2.gz FNAMVMBGGYRQKS-IAGOWNOFSA-N 1 0 376.522 4.265 20 0 GIADRO C[C@H]([NH2+]C1(c2cccc(C(F)(F)F)c2)CCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000182330968 822204757 /nfs/dbraw/zinc/20/47/57/822204757.db2.gz SBFJAVSYAOWKSB-ZDUSSCGKSA-N 1 0 398.450 4.083 20 0 GIADRO COc1cccc([C@H](C)CC(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)c1 ZINC000182355896 822213129 /nfs/dbraw/zinc/21/31/29/822213129.db2.gz BRTYBOQZZWVRJU-GOSISDBHSA-N 1 0 395.547 4.358 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3ccc4ncsc4c3)cc2)CC1 ZINC000182358350 822213945 /nfs/dbraw/zinc/21/39/45/822213945.db2.gz HYOHAVDHAJMKFK-UHFFFAOYSA-N 1 0 380.517 4.079 20 0 GIADRO COC(=O)c1ccc(-c2nc(C[N@H+](CCc3nccs3)C(C)C)co2)cc1 ZINC000182362913 822215817 /nfs/dbraw/zinc/21/58/17/822215817.db2.gz CAXNHSWHFVPIMV-UHFFFAOYSA-N 1 0 385.489 4.038 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)NCCCCCCSC)c(C)c2)CC1 ZINC000182369978 822217932 /nfs/dbraw/zinc/21/79/32/822217932.db2.gz FANBUZBSZAYKLG-UHFFFAOYSA-N 1 0 392.613 4.182 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)Cc3ccc(F)cc3Cl)cc2)CC1 ZINC000182372911 822219349 /nfs/dbraw/zinc/21/93/49/822219349.db2.gz XITQPEHJFIKVFU-UHFFFAOYSA-N 1 0 389.902 4.191 20 0 GIADRO COc1ccc(CCCC(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)cc1 ZINC000182374072 822219884 /nfs/dbraw/zinc/21/98/84/822219884.db2.gz JXTAVSZPEFTXGW-UHFFFAOYSA-N 1 0 395.547 4.187 20 0 GIADRO C[C@H](NC(=O)N[C@@H]1CCSc2ccc(F)cc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182379114 822221630 /nfs/dbraw/zinc/22/16/30/822221630.db2.gz JGDXZVYZCSWPRV-QMTMVMCOSA-N 1 0 391.556 4.315 20 0 GIADRO C[C@H](NC(=O)N[C@@H]1CCSc2ccc(F)cc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182379150 822221703 /nfs/dbraw/zinc/22/17/03/822221703.db2.gz JGDXZVYZCSWPRV-YZVOILCLSA-N 1 0 391.556 4.315 20 0 GIADRO C[C@H](NC(=O)NCc1ccccc1OC(F)(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182380121 822222096 /nfs/dbraw/zinc/22/20/96/822222096.db2.gz ZFFCVEYOPAWQDT-GOEBONIOSA-N 1 0 399.457 4.037 20 0 GIADRO COc1ccc([C@H](CCO)[NH2+]CCCC(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000182386498 822224659 /nfs/dbraw/zinc/22/46/59/822224659.db2.gz RITZUQPFNJAIHQ-NRFANRHFSA-N 1 0 384.520 4.052 20 0 GIADRO COc1ccc2ccccc2c1CNC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182391541 822226628 /nfs/dbraw/zinc/22/66/28/822226628.db2.gz VEBKUUKNZKIDKI-HKUYNNGSSA-N 1 0 395.547 4.301 20 0 GIADRO Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000182408327 822232953 /nfs/dbraw/zinc/23/29/53/822232953.db2.gz IQYQAOOGEKHYFL-FXAWDEMLSA-N 1 0 389.588 4.308 20 0 GIADRO Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000182409004 822233057 /nfs/dbraw/zinc/23/30/57/822233057.db2.gz JSPODVWOGYPBTA-FXAWDEMLSA-N 1 0 389.588 4.165 20 0 GIADRO CC[C@H](NCC(=O)N1CCCCC[C@@H]1c1ccc(OC)cc1)c1c(C)noc1C ZINC000182412219 822233352 /nfs/dbraw/zinc/23/33/52/822233352.db2.gz ZRYXBORVVXLERB-LEWJYISDSA-N 1 0 399.535 4.485 20 0 GIADRO CCOCc1ccccc1CNC(=O)C[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000182431088 822240516 /nfs/dbraw/zinc/24/05/16/822240516.db2.gz YQYPPLMZRZSMCQ-HNNXBMFYSA-N 1 0 394.437 4.209 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)CCn3ccc4ccccc43)cc2)CC1 ZINC000182455067 822248828 /nfs/dbraw/zinc/24/88/28/822248828.db2.gz SURGZYDGIOVUIJ-UHFFFAOYSA-N 1 0 390.531 4.201 20 0 GIADRO Cc1cnc([C@H](C)NC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000177952325 822255321 /nfs/dbraw/zinc/25/53/21/822255321.db2.gz URAVMYAWQBTBGM-KSSFIOAISA-N 1 0 397.466 4.083 20 0 GIADRO Cc1cnc([C@@H](C)NC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000177952312 822255430 /nfs/dbraw/zinc/25/54/30/822255430.db2.gz URAVMYAWQBTBGM-KDOFPFPSSA-N 1 0 397.466 4.083 20 0 GIADRO Cc1c([C@@H](C)[NH2+][C@@H](C)c2ccc(OC(F)F)cc2OC(F)F)cnn1C ZINC000177962884 822259605 /nfs/dbraw/zinc/25/96/05/822259605.db2.gz YROUOHHZSBHUHI-VHSXEESVSA-N 1 0 375.366 4.343 20 0 GIADRO COc1cc(OC)c([C@@H](C)[NH2+]Cc2ccccc2N2CCOCC2)cc1Cl ZINC000177964887 822260865 /nfs/dbraw/zinc/26/08/65/822260865.db2.gz ZFOKBOQFRFCOKY-OAHLLOKOSA-N 1 0 390.911 4.045 20 0 GIADRO O=S(=O)(CC[NH2+][C@@H]1CCSc2ccc(F)cc21)c1ccc(Cl)cc1 ZINC000177967804 822261378 /nfs/dbraw/zinc/26/13/78/822261378.db2.gz LMNAISXFYOYWPY-MRXNPFEDSA-N 1 0 385.913 4.080 20 0 GIADRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(Cl)cc1)c1cnc2ccsc2c1 ZINC000177970460 822262895 /nfs/dbraw/zinc/26/28/95/822262895.db2.gz RMDJPHFYMZHODB-LBPRGKRZSA-N 1 0 380.922 4.074 20 0 GIADRO CC(=O)c1ccc(NC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1Cl ZINC000182499298 822269740 /nfs/dbraw/zinc/26/97/40/822269740.db2.gz UVVPHGBOUHYCLI-HIFRSBDPSA-N 1 0 377.916 4.317 20 0 GIADRO CC(C)[NH+]1CCC(NC(=O)Nc2cc(Br)c(F)cc2Cl)CC1 ZINC000177987914 822270877 /nfs/dbraw/zinc/27/08/77/822270877.db2.gz WELMFNUNEDYGBJ-UHFFFAOYSA-N 1 0 392.700 4.236 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(Br)c(F)cc2Cl)C1 ZINC000177990524 822272833 /nfs/dbraw/zinc/27/28/33/822272833.db2.gz XHCAWXPCZJQFNX-JTQLQIEISA-N 1 0 392.700 4.047 20 0 GIADRO CC(=O)c1ccc(NC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)cc1Cl ZINC000182508475 822273847 /nfs/dbraw/zinc/27/38/47/822273847.db2.gz XLNKNVFZCCQKSQ-SFHVURJKSA-N 1 0 377.847 4.106 20 0 GIADRO CC(=O)c1ccc(NC(=O)NCc2ccccc2C[NH+]2CCCC2)cc1Cl ZINC000182507968 822273994 /nfs/dbraw/zinc/27/39/94/822273994.db2.gz RCLATQSLFNCHRJ-UHFFFAOYSA-N 1 0 385.895 4.460 20 0 GIADRO Fc1ccccc1C[N@@H+]1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000177998816 822276747 /nfs/dbraw/zinc/27/67/47/822276747.db2.gz FYLNDDQATGQZRB-AWEZNQCLSA-N 1 0 378.373 4.267 20 0 GIADRO C[C@@H]([NH2+]CCc1ccc(F)c(Br)c1)c1ccc(-n2cncn2)cc1 ZINC000178009666 822280918 /nfs/dbraw/zinc/28/09/18/822280918.db2.gz WXBCDLFKJRPEEM-CYBMUJFWSA-N 1 0 389.272 4.062 20 0 GIADRO COc1ccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1Cc1ccccc1 ZINC000178017430 822283825 /nfs/dbraw/zinc/28/38/25/822283825.db2.gz VGIHOBKHCZFALD-UGKGYDQZSA-N 1 0 393.531 4.234 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc2c(c1)OCCCO2)c1cccc(N2CCOC2=O)c1 ZINC000178020179 822285178 /nfs/dbraw/zinc/28/51/78/822285178.db2.gz BXDUDVLPOMDDID-HZPDHXFCSA-N 1 0 382.460 4.216 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+]CC(=O)N[C@H](C)c2ccc3ccccc3c2)c1 ZINC000182534667 822287768 /nfs/dbraw/zinc/28/77/68/822287768.db2.gz UXVPVTLLXDXEME-DLBZAZTESA-N 1 0 389.499 4.326 20 0 GIADRO COc1cc(C[NH2+][C@H](C)c2ccc(C3CCCCC3)cc2)ccc1OCC(N)=O ZINC000178029051 822289463 /nfs/dbraw/zinc/28/94/63/822289463.db2.gz JMHWRSDGXGECRM-QGZVFWFLSA-N 1 0 396.531 4.458 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+]CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c1 ZINC000182544638 822293542 /nfs/dbraw/zinc/29/35/42/822293542.db2.gz QZYWQVPISKUADV-IRXDYDNUSA-N 1 0 393.531 4.052 20 0 GIADRO CCN(CC)C(=O)CCC1CC[NH+](Cc2cc(=O)oc3c(C)c(C)ccc23)CC1 ZINC000182548444 822296057 /nfs/dbraw/zinc/29/60/57/822296057.db2.gz MAPWEZRCZYLWNK-UHFFFAOYSA-N 1 0 398.547 4.270 20 0 GIADRO CCOc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(OC[C@H]3CCCO3)cc1)CCO2 ZINC000178043915 822296701 /nfs/dbraw/zinc/29/67/01/822296701.db2.gz MCRSVDNMLUZGAA-IFMALSPDSA-N 1 0 383.488 4.257 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CC(=O)Nc2cccc(Cl)c2Cl)c1 ZINC000182550681 822296760 /nfs/dbraw/zinc/29/67/60/822296760.db2.gz QXXYXCCTNOXKCG-LLVKDONJSA-N 1 0 380.275 4.241 20 0 GIADRO CC(C)CN(C(=O)C[NH2+][C@H](C)c1cccc(NC(=O)c2ccccc2)c1)C1CC1 ZINC000182561780 822303519 /nfs/dbraw/zinc/30/35/19/822303519.db2.gz QYSQJVLHEIQBMZ-GOSISDBHSA-N 1 0 393.531 4.237 20 0 GIADRO Cc1cccc2nc(C[NH2+][C@H](C)CC(=O)Nc3ccccc3C(F)(F)F)cn21 ZINC000178057352 822303686 /nfs/dbraw/zinc/30/36/86/822303686.db2.gz VGEWRPBJLAMBQW-CYBMUJFWSA-N 1 0 390.409 4.168 20 0 GIADRO C[C@@H]([NH2+]C1CCN(c2ccccn2)CC1)c1cc(Br)ccc1F ZINC000178059040 822304550 /nfs/dbraw/zinc/30/45/50/822304550.db2.gz XIRKMLOQPTVONB-CYBMUJFWSA-N 1 0 378.289 4.303 20 0 GIADRO C[C@H]([NH2+]C1CCN(c2ccccn2)CC1)c1cc(Br)ccc1F ZINC000178059025 822304636 /nfs/dbraw/zinc/30/46/36/822304636.db2.gz XIRKMLOQPTVONB-ZDUSSCGKSA-N 1 0 378.289 4.303 20 0 GIADRO C[C@H]([NH2+]CC(=O)N[C@H]1CCCC[C@@H]1C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000182563769 822304955 /nfs/dbraw/zinc/30/49/55/822304955.db2.gz GXMQNTVOIGKKNJ-SPEDKVCISA-N 1 0 393.531 4.284 20 0 GIADRO C[C@H](c1ccccc1F)[NH+]1CCC(OCCCNC(=O)OC(C)(C)C)CC1 ZINC000178065242 822306552 /nfs/dbraw/zinc/30/65/52/822306552.db2.gz AVMJFENFZYXNOT-MRXNPFEDSA-N 1 0 380.504 4.283 20 0 GIADRO C[C@@H](c1cccc(F)c1)[NH+]1CCC(OCCCNC(=O)OC(C)(C)C)CC1 ZINC000178065558 822306664 /nfs/dbraw/zinc/30/66/64/822306664.db2.gz RQEKGBSWBPKBHY-INIZCTEOSA-N 1 0 380.504 4.283 20 0 GIADRO C[C@H](c1ccc(F)cc1F)[NH+]1CCC(OCCCNC(=O)OC(C)(C)C)CC1 ZINC000178065169 822306768 /nfs/dbraw/zinc/30/67/68/822306768.db2.gz TVIIDHHZRGPWEN-OAHLLOKOSA-N 1 0 398.494 4.422 20 0 GIADRO CCN(CC)C(=O)CCC1CC[NH+](Cc2ncc(-c3ccc(OC)cc3)o2)CC1 ZINC000182568562 822306850 /nfs/dbraw/zinc/30/68/50/822306850.db2.gz WTTUGRORQHWPQN-UHFFFAOYSA-N 1 0 399.535 4.211 20 0 GIADRO C[C@@H]([NH2+]CCC(=O)N(C)Cc1ccccc1Br)c1ccsc1 ZINC000178077989 822310940 /nfs/dbraw/zinc/31/09/40/822310940.db2.gz TWYRNEPDANQOLK-CYBMUJFWSA-N 1 0 381.339 4.210 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1cccc(OC(F)F)c1)c1ccc(NS(C)(=O)=O)cc1 ZINC000178082732 822312024 /nfs/dbraw/zinc/31/20/24/822312024.db2.gz YXRUFKCCYBABFG-OLZOCXBDSA-N 1 0 384.448 4.071 20 0 GIADRO COc1cccc([C@H](O)C[NH2+][C@@H](C)c2cnn(-c3cccc(Cl)c3)c2C)c1 ZINC000178082596 822312054 /nfs/dbraw/zinc/31/20/54/822312054.db2.gz XXWJGRKOJGHMCJ-LHSJRXKWSA-N 1 0 385.895 4.227 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@H]2CCc3cc(Cl)ccc32)ccc1S(C)(=O)=O ZINC000178085797 822313386 /nfs/dbraw/zinc/31/33/86/822313386.db2.gz DWNTVERDFVUHEH-SJCJKPOMSA-N 1 0 379.909 4.090 20 0 GIADRO COc1cccc([C@H](O)C[NH2+][C@H](C)c2sc(Cc3ccccc3)nc2C)c1 ZINC000178085485 822313482 /nfs/dbraw/zinc/31/34/82/822313482.db2.gz VRYHBKQAANKQFQ-FOIQADDNSA-N 1 0 382.529 4.435 20 0 GIADRO Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@@H](c1ccccc1)N1CCc2sccc2C1 ZINC000178096908 822318259 /nfs/dbraw/zinc/31/82/59/822318259.db2.gz YDLWFITWDKXULK-IERDGZPVSA-N 1 0 380.561 4.240 20 0 GIADRO C[C@H](NC(=O)N[C@H](c1nccs1)c1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182613376 822322656 /nfs/dbraw/zinc/32/26/56/822322656.db2.gz LYNNMNYNOAWCGL-QRFRQXIXSA-N 1 0 398.576 4.185 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)Nc2ccc(-c3ncco3)cc2)[NH+]2CCCC2)o1 ZINC000182614568 822323485 /nfs/dbraw/zinc/32/34/85/822323485.db2.gz YKLQHNKRIVJWAH-GOSISDBHSA-N 1 0 380.448 4.202 20 0 GIADRO COc1ccc(Cc2nc(C)c([C@@H](C)[NH2+]C[C@](C)(O)C(C)C)s2)cc1OC ZINC000178120747 822325542 /nfs/dbraw/zinc/32/55/42/822325542.db2.gz FQTKVHJNMMRAHE-SZNDQCEHSA-N 1 0 392.565 4.117 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@@H](C)c2ccc(OC(C)C)cc2)ccc1S(C)(=O)=O ZINC000178142810 822331506 /nfs/dbraw/zinc/33/15/06/822331506.db2.gz ZPGBWJOPWIXYMS-HOTGVXAUSA-N 1 0 391.533 4.298 20 0 GIADRO Clc1ccc(C[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)cc1Br ZINC000182636033 822333169 /nfs/dbraw/zinc/33/31/69/822333169.db2.gz WYBWUTXPYCQUDJ-WFASDCNBSA-N 1 0 376.747 4.247 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000182638680 822334627 /nfs/dbraw/zinc/33/46/27/822334627.db2.gz UTUMOTIRCVCHKQ-GOSISDBHSA-N 1 0 375.520 4.106 20 0 GIADRO CN(C)C(=O)N1CCC([NH2+][C@@H](c2cc3ccccc3o2)c2ccccc2)CC1 ZINC000182639796 822335041 /nfs/dbraw/zinc/33/50/41/822335041.db2.gz UIBNVDSSKJJSJD-JOCHJYFZSA-N 1 0 377.488 4.258 20 0 GIADRO Fc1cccc2c1SCC[C@@H]2[NH2+]C[C@@H](c1cccs1)N1CCOCC1 ZINC000178156504 822336642 /nfs/dbraw/zinc/33/66/42/822336642.db2.gz HKUVCTPHZQWCJN-IRXDYDNUSA-N 1 0 378.538 4.087 20 0 GIADRO O=C1Nc2ccccc2C12CCC([NH2+]Cc1cccc(Br)c1)CC2 ZINC000178163365 822337506 /nfs/dbraw/zinc/33/75/06/822337506.db2.gz BUCJIAFPXYQJHW-UHFFFAOYSA-N 1 0 385.305 4.371 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]Cc2cccc(Br)c2)cc1 ZINC000178163067 822337693 /nfs/dbraw/zinc/33/76/93/822337693.db2.gz LKYPPOPJMACCQF-CYBMUJFWSA-N 1 0 397.338 4.062 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1cc(Br)ccc1F)c1ccc(NC(N)=O)cc1 ZINC000178166896 822338567 /nfs/dbraw/zinc/33/85/67/822338567.db2.gz CXHLFSAQSAQOIQ-GHMZBOCLSA-N 1 0 380.261 4.491 20 0 GIADRO CSc1cccc(N(C(=O)c2cncc(OC(C)C)c2)C2CC[NH+](C)CC2)c1 ZINC000178165901 822338809 /nfs/dbraw/zinc/33/88/09/822338809.db2.gz CCIMHNZVPKOACJ-UHFFFAOYSA-N 1 0 399.560 4.332 20 0 GIADRO Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000182651451 822339165 /nfs/dbraw/zinc/33/91/65/822339165.db2.gz DERGNHVOTJTEMB-HXUWFJFHSA-N 1 0 389.588 4.309 20 0 GIADRO CCOc1cccc2cc([C@@H](C)[NH2+]C[C@H](O)COCc3cccs3)oc21 ZINC000182651166 822339265 /nfs/dbraw/zinc/33/92/65/822339265.db2.gz SKRFDNBOJDAOIG-ZBFHGGJFSA-N 1 0 375.490 4.121 20 0 GIADRO CCOc1cccc2cc([C@H](C)[NH2+]CCC(=O)Nc3cc(N)ccc3F)oc21 ZINC000182654689 822340101 /nfs/dbraw/zinc/34/01/01/822340101.db2.gz INWOARCPWXMENL-ZDUSSCGKSA-N 1 0 385.439 4.232 20 0 GIADRO COc1cc([C@@H](C)[NH2+]CCNC(=O)c2ccccc2Cl)ccc1OC(F)F ZINC000178169354 822340427 /nfs/dbraw/zinc/34/04/27/822340427.db2.gz AYCUJGDYKCLMAI-GFCCVEGCSA-N 1 0 398.837 4.031 20 0 GIADRO CCCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)cc1 ZINC000178174005 822342021 /nfs/dbraw/zinc/34/20/21/822342021.db2.gz ZIGUZKZDCKQSAE-CABCVRRESA-N 1 0 379.497 4.430 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CC(C)(C)c2ccccc21)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000178180181 822344616 /nfs/dbraw/zinc/34/46/16/822344616.db2.gz HYWODXVRUSOLIS-OPAMFIHVSA-N 1 0 378.516 4.417 20 0 GIADRO Cc1ccc(-c2nc3c(s2)[C@@H]([NH2+]Cc2ccc(C(N)=O)cc2)CCC3)cc1 ZINC000178181670 822344811 /nfs/dbraw/zinc/34/48/11/822344811.db2.gz IJXWSLUNGRAPLC-SFHVURJKSA-N 1 0 377.513 4.385 20 0 GIADRO Cc1cnn(-c2cc[nH+]cc2NCc2nc3cc(C(F)(F)F)ccc3n2C)c1 ZINC000182670741 822345444 /nfs/dbraw/zinc/34/54/44/822345444.db2.gz ZFOGRSDEMXJWJM-UHFFFAOYSA-N 1 0 386.381 4.093 20 0 GIADRO COc1ccc([C@H](C)[NH2+]Cc2ccc(Br)c(F)c2)cc1NC(C)=O ZINC000178184710 822346038 /nfs/dbraw/zinc/34/60/38/822346038.db2.gz WRODXOCGVPUEPW-NSHDSACASA-N 1 0 395.272 4.406 20 0 GIADRO CC[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1OC)c1ccccc1OCC(=O)N(C)C ZINC000178187312 822346524 /nfs/dbraw/zinc/34/65/24/822346524.db2.gz XJCIGOQRGWDCHL-HNAYVOBHSA-N 1 0 388.483 4.103 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]C[C@@H](c2ccccc2Cl)N(C)C)cc1NC(C)=O ZINC000178189050 822347165 /nfs/dbraw/zinc/34/71/65/822347165.db2.gz GFUVSSNNXVRHOQ-VLIAUNLRSA-N 1 0 389.927 4.261 20 0 GIADRO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NCc2ccc(-c3ccc(F)cc3)o2)c1 ZINC000178190361 822347677 /nfs/dbraw/zinc/34/76/77/822347677.db2.gz DHWCNAODXKKIJH-NRFANRHFSA-N 1 0 393.462 4.148 20 0 GIADRO Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000178193789 822348708 /nfs/dbraw/zinc/34/87/08/822348708.db2.gz QYXGYHBKUSYLIA-QFBILLFUSA-N 1 0 393.560 4.152 20 0 GIADRO C[C@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1cc(Cl)ccc1OC(F)F ZINC000178194929 822348846 /nfs/dbraw/zinc/34/88/46/822348846.db2.gz OCZNQSYVZUSHBR-JSGCOSHPSA-N 1 0 382.842 4.051 20 0 GIADRO C[C@@H]([NH3+])c1ccc(NC(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)cc1 ZINC000178219152 822355122 /nfs/dbraw/zinc/35/51/22/822355122.db2.gz HREYGOUKVDPUNP-PBPGXSGUSA-N 1 0 385.552 4.290 20 0 GIADRO C[C@H]1C[NH+](CCC2CCN(C(=O)CCc3ccc(Cl)s3)CC2)C[C@H](C)O1 ZINC000178239103 822357499 /nfs/dbraw/zinc/35/74/99/822357499.db2.gz VIYLAZDSENQHOD-HOTGVXAUSA-N 1 0 399.000 4.072 20 0 GIADRO COc1c(C)cnc(CN(C)C(=O)Nc2ccccc2OCC(F)F)c1C ZINC000178241364 822357698 /nfs/dbraw/zinc/35/76/98/822357698.db2.gz KVNCJPKRVBBPKT-UHFFFAOYSA-N 1 0 379.407 4.015 20 0 GIADRO C[C@@H]1C[NH+](CCC2CCN(C(=O)c3cccc4ccccc43)CC2)C[C@@H](C)O1 ZINC000178242423 822357786 /nfs/dbraw/zinc/35/77/86/822357786.db2.gz RXVSEDXFHNMXGD-RTBURBONSA-N 1 0 380.532 4.191 20 0 GIADRO Cc1ccc(OC(F)F)c(CNC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000182722791 822357872 /nfs/dbraw/zinc/35/78/72/822357872.db2.gz OTSARKKGJPUPDX-HZPDHXFCSA-N 1 0 395.494 4.049 20 0 GIADRO COc1cc(F)cc(C[C@@H](C)[NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)c1 ZINC000453407687 822358691 /nfs/dbraw/zinc/35/86/91/822358691.db2.gz UZALUOVJRRITLF-CABCVRRESA-N 1 0 385.483 4.400 20 0 GIADRO C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@H]1CCOC(C)(C)C1 ZINC000453409037 822358816 /nfs/dbraw/zinc/35/88/16/822358816.db2.gz GZXQCMLUTBPTJN-KBPBESRZSA-N 1 0 388.430 4.097 20 0 GIADRO CCc1cccnc1[C@H](C)[NH2+][C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1 ZINC000453409230 822358873 /nfs/dbraw/zinc/35/88/73/822358873.db2.gz RBNLSWBNEWDPRF-ZYSHUDEJSA-N 1 0 377.454 4.325 20 0 GIADRO COCCOc1ccc([C@@H](C)[NH2+][C@@H]2CCO[C@@H](c3cccs3)C2)cc1OC ZINC000453409752 822358876 /nfs/dbraw/zinc/35/88/76/822358876.db2.gz GJDQMCIBEBYLPV-WRWLIDTKSA-N 1 0 391.533 4.353 20 0 GIADRO C[C@H]([NH2+][C@H]1CCO[C@H](c2nccn2C)C1)C(c1ccccc1)c1ccccc1 ZINC000453411131 822358997 /nfs/dbraw/zinc/35/89/97/822358997.db2.gz XHWROBSOHFMUJX-NYVOZVTQSA-N 1 0 375.516 4.450 20 0 GIADRO C[C@H](CC(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)c1cccc(F)c1 ZINC000178255737 822359260 /nfs/dbraw/zinc/35/92/60/822359260.db2.gz JKAIWKDQHUTQLJ-GUDVDZBRSA-N 1 0 390.543 4.057 20 0 GIADRO COC(=O)c1ccc(C[NH2+][C@H](Cc2ccc(F)cc2)c2ccc(OC)cc2)o1 ZINC000178255750 822359329 /nfs/dbraw/zinc/35/93/29/822359329.db2.gz MDPQSODEZAUEDS-HXUWFJFHSA-N 1 0 383.419 4.288 20 0 GIADRO C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CCC1CC(F)(F)C1 ZINC000453412610 822359360 /nfs/dbraw/zinc/35/93/60/822359360.db2.gz IWCCKWZHALOQDR-NSHDSACASA-N 1 0 380.357 4.327 20 0 GIADRO Cn1ccnc1[C@@H]1C[C@H]([NH2+][C@@H](Cc2cccc(F)c2)c2cccc(F)c2)CCO1 ZINC000453414412 822359488 /nfs/dbraw/zinc/35/94/88/822359488.db2.gz YVAIVFQZOQIGOJ-FSSWDIPSSA-N 1 0 397.469 4.492 20 0 GIADRO CSc1cccc([C@H]([NH2+]C[C@]2(C)CCC(=O)N2)c2ccc(F)c(F)c2)c1 ZINC000453421569 822360443 /nfs/dbraw/zinc/36/04/43/822360443.db2.gz MGPSPOIKACDZHG-PMACEKPBSA-N 1 0 376.472 4.034 20 0 GIADRO Clc1ccc2c(c1)nccc2SCC[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000182742670 822360748 /nfs/dbraw/zinc/36/07/48/822360748.db2.gz SBMYZQYZEFJAPP-AWEZNQCLSA-N 1 0 378.925 4.065 20 0 GIADRO C[C@@]1(C[NH2+][C@H](c2ccc(Cl)cc2)c2ccc(OC(F)F)cc2)CCC(=O)N1 ZINC000453428758 822361799 /nfs/dbraw/zinc/36/17/99/822361799.db2.gz PXQUOGJCQCCRBH-QUCCMNQESA-N 1 0 394.849 4.289 20 0 GIADRO Cc1noc(C)c1CSc1ccccc1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000045085960 822361838 /nfs/dbraw/zinc/36/18/38/822361838.db2.gz PROVOBWTCFGXOU-UHFFFAOYSA-N 1 0 399.560 4.284 20 0 GIADRO O=C(c1ccccc1SCc1cscn1)N1CC[NH+](C2CCCC2)CC1 ZINC000045086135 822362040 /nfs/dbraw/zinc/36/20/40/822362040.db2.gz FJKIKJRWNKNYPW-UHFFFAOYSA-N 1 0 387.574 4.136 20 0 GIADRO CC[C@@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1ccccc1OC(F)F ZINC000178287897 822363636 /nfs/dbraw/zinc/36/36/36/822363636.db2.gz GDEFNMRBRPNQRC-QGZVFWFLSA-N 1 0 383.460 4.074 20 0 GIADRO [NH3+]CCCOC1CCN(C(=O)c2sc3cc(Cl)ccc3c2Cl)CC1 ZINC000178297528 822364423 /nfs/dbraw/zinc/36/44/23/822364423.db2.gz RRRSQFZUFQDEJN-UHFFFAOYSA-N 1 0 387.332 4.178 20 0 GIADRO C[C@@H](NC(=O)NCc1ccc(C[NH+](C)C)cc1)c1ccc(Br)cc1 ZINC000045129718 822364503 /nfs/dbraw/zinc/36/45/03/822364503.db2.gz VFLWXMTVCZLMSS-CQSZACIVSA-N 1 0 390.325 4.071 20 0 GIADRO CS(=O)(=O)Cc1ccccc1C[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000178298865 822364670 /nfs/dbraw/zinc/36/46/70/822364670.db2.gz UNABHASPQHGOAE-QGZVFWFLSA-N 1 0 381.950 4.211 20 0 GIADRO CCn1c([C@H]2CCCCO2)nnc1N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000453451754 822365855 /nfs/dbraw/zinc/36/58/55/822365855.db2.gz PBCLSPRSGDRURV-UYAOXDASSA-N 1 0 389.588 4.021 20 0 GIADRO C[C@H](Nc1cccc(C(=O)NC(C)(C)C)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000182779338 822366291 /nfs/dbraw/zinc/36/62/91/822366291.db2.gz BVEYGRLZYLHWEV-KRWDZBQOSA-N 1 0 383.536 4.328 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CCSCc2ccccc2F)cc1NC(C)=O ZINC000178319873 822366905 /nfs/dbraw/zinc/36/69/05/822366905.db2.gz IOUZGQFKQFRXST-CQSZACIVSA-N 1 0 376.497 4.377 20 0 GIADRO Cc1c([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccnc2C)cnn1-c1cc(C)ccc1C ZINC000453456063 822367142 /nfs/dbraw/zinc/36/71/42/822367142.db2.gz VAFGMTUFQJDJCR-AEFFLSMTSA-N 1 0 391.519 4.179 20 0 GIADRO C[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000178327009 822367528 /nfs/dbraw/zinc/36/75/28/822367528.db2.gz DOLSKDUVGAYJCN-IRXDYDNUSA-N 1 0 379.529 4.355 20 0 GIADRO COc1cc([C@H](C)[NH2+]C[C@@H]2CN(CC(C)C)CCO2)ccc1SC(F)F ZINC000178332595 822368111 /nfs/dbraw/zinc/36/81/11/822368111.db2.gz MSXZQYYKDKYKHJ-GOEBONIOSA-N 1 0 388.524 4.017 20 0 GIADRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H]2CCc3cc(F)ccc32)cc1 ZINC000178339652 822368776 /nfs/dbraw/zinc/36/87/76/822368776.db2.gz UJWBMLPYALHZEH-QVKFZJNVSA-N 1 0 390.524 4.194 20 0 GIADRO COc1ccc(Br)cc1-c1nc(C[N@H+](C)C[C@H]2CCOC2)cs1 ZINC000178345101 822369519 /nfs/dbraw/zinc/36/95/19/822369519.db2.gz YHZKKVUGNZYLCO-GFCCVEGCSA-N 1 0 397.338 4.050 20 0 GIADRO COc1ccc(OC)c([C@H](C)[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)c1 ZINC000178357756 822370955 /nfs/dbraw/zinc/37/09/55/822370955.db2.gz WELXCKKQAGICAP-AZQSGLJVSA-N 1 0 380.488 4.187 20 0 GIADRO CCCC[C@@H]([NH2+][C@@H](C)c1cn(C)nc1C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000178362183 822371290 /nfs/dbraw/zinc/37/12/90/822371290.db2.gz BCEZSTOZEZXCOC-HTAPYJJXSA-N 1 0 397.567 4.177 20 0 GIADRO CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+][C@H](CO)Cc2ccc(C)c(C)c2)cc1 ZINC000453469210 822371426 /nfs/dbraw/zinc/37/14/26/822371426.db2.gz ZXWMEUQKTSUAIM-XXBNENTESA-N 1 0 397.563 4.431 20 0 GIADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)N[C@@H]2CCSc3ccc(F)cc32)C1 ZINC000045233775 822371851 /nfs/dbraw/zinc/37/18/51/822371851.db2.gz CAHIYKCDSVIRHA-CRAIPNDOSA-N 1 0 379.545 4.174 20 0 GIADRO COc1cc(OC)c([C@H](C)[NH2+]C2CCN(CC(F)(F)F)CC2)cc1Cl ZINC000178368473 822371958 /nfs/dbraw/zinc/37/19/58/822371958.db2.gz UZCGZALHGCFMTG-NSHDSACASA-N 1 0 380.838 4.035 20 0 GIADRO CC(C)Sc1ccc([C@H](C)[NH2+]Cc2cccc([C@]3(C)NC(=O)NC3=O)c2)cc1 ZINC000178381836 822373345 /nfs/dbraw/zinc/37/33/45/822373345.db2.gz JSROTWAARYZZPZ-NYHFZMIOSA-N 1 0 397.544 4.093 20 0 GIADRO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)Nc1c(F)cc(Cl)cc1F ZINC000182826269 822373809 /nfs/dbraw/zinc/37/38/09/822373809.db2.gz NRUSZJGENVQVKC-HNNXBMFYSA-N 1 0 393.865 4.304 20 0 GIADRO C[C@@H](C(=O)Nc1c(F)cccc1F)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000178388752 822374154 /nfs/dbraw/zinc/37/41/54/822374154.db2.gz AGZBZNNNJGQWJO-IRXDYDNUSA-N 1 0 393.522 4.268 20 0 GIADRO OCCC[N@H+](Cc1cncc(Br)c1)[C@@H]1CCCc2ccccc21 ZINC000178396589 822375179 /nfs/dbraw/zinc/37/51/79/822375179.db2.gz GRGUMDUOWSXNQW-LJQANCHMSA-N 1 0 375.310 4.106 20 0 GIADRO C[C@@H](NC(=O)Nc1cccc(OC(F)(F)F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182840437 822376446 /nfs/dbraw/zinc/37/64/46/822376446.db2.gz ZWCJQNMQOVFVSV-KGLIPLIRSA-N 1 0 385.430 4.360 20 0 GIADRO C[C@H](NC(=O)Nc1cccc(OC(F)(F)F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182840381 822376491 /nfs/dbraw/zinc/37/64/91/822376491.db2.gz ZWCJQNMQOVFVSV-UONOGXRCSA-N 1 0 385.430 4.360 20 0 GIADRO COc1ccc(C[NH2+][C@@H]2CCCOc3cc(Br)ccc32)cc1O ZINC000178410973 822376722 /nfs/dbraw/zinc/37/67/22/822376722.db2.gz BKOMKLWGARCRLU-OAHLLOKOSA-N 1 0 378.266 4.167 20 0 GIADRO C[C@@H](NC(=O)N1CCC(OCC2CCCC2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182843281 822376917 /nfs/dbraw/zinc/37/69/17/822376917.db2.gz VQRNCXVEBVUROJ-QUCCMNQESA-N 1 0 391.600 4.020 20 0 GIADRO O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000178432340 822378397 /nfs/dbraw/zinc/37/83/97/822378397.db2.gz JGDISQFFOQGFOS-VQIMIIECSA-N 1 0 397.519 4.209 20 0 GIADRO C[C@H]([NH2+]Cc1ccccc1OCC(F)(F)F)c1ccc2c(c1)CCC(=O)N2 ZINC000178436623 822378988 /nfs/dbraw/zinc/37/89/88/822378988.db2.gz FGEHCXNUUQDWGI-ZDUSSCGKSA-N 1 0 378.394 4.363 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000178454919 822380540 /nfs/dbraw/zinc/38/05/40/822380540.db2.gz PVOCHEKXYUCGKK-KUHUBIRLSA-N 1 0 377.513 4.183 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000178454933 822380578 /nfs/dbraw/zinc/38/05/78/822380578.db2.gz PVOCHEKXYUCGKK-AUUYWEPGSA-N 1 0 377.513 4.183 20 0 GIADRO C[C@H]([NH2+]CC1(c2ccc3c(c2)OCCO3)CCCC1)c1ccc([S@@](C)=O)cc1 ZINC000178462744 822381538 /nfs/dbraw/zinc/38/15/38/822381538.db2.gz NQQPAMBKWCYZMO-YMGMXPECSA-N 1 0 399.556 4.358 20 0 GIADRO C[C@@H](c1cccc(Br)c1)[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000178466637 822381892 /nfs/dbraw/zinc/38/18/92/822381892.db2.gz LYURKBWCNLTLPZ-HOCLYGCPSA-N 1 0 385.309 4.432 20 0 GIADRO C[C@H](NC(=O)N(C)CCc1ccc(Cl)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182867872 822382421 /nfs/dbraw/zinc/38/24/21/822382421.db2.gz YOYHYXOZCARNJN-WMZOPIPTSA-N 1 0 377.960 4.177 20 0 GIADRO C[C@@H](NC(=O)N1CCSC2(CCCCC2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182874195 822383778 /nfs/dbraw/zinc/38/37/78/822383778.db2.gz YQSSZLDMBKCWPN-QZTJIDSGSA-N 1 0 379.614 4.101 20 0 GIADRO CC(C)C(=O)Nc1ccc(C[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)cc1 ZINC000178479890 822383775 /nfs/dbraw/zinc/38/37/75/822383775.db2.gz UIAYPANOTIOQSW-QGZVFWFLSA-N 1 0 379.504 4.259 20 0 GIADRO COc1ccc(Cl)cc1[C@@H](C)[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000178488728 822384550 /nfs/dbraw/zinc/38/45/50/822384550.db2.gz BEWSBYVMZYLHJT-UONOGXRCSA-N 1 0 396.940 4.011 20 0 GIADRO CC(C)(C)c1ccccc1NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000182879298 822384895 /nfs/dbraw/zinc/38/48/95/822384895.db2.gz VHHCSJVBEPHSGZ-HXUWFJFHSA-N 1 0 395.547 4.263 20 0 GIADRO C[C@@H](CN1CCCC1=O)[NH2+][C@@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21 ZINC000178496310 822385301 /nfs/dbraw/zinc/38/53/01/822385301.db2.gz MAHOBULQGSXGHJ-XJKSGUPXSA-N 1 0 389.952 4.441 20 0 GIADRO Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182885180 822385619 /nfs/dbraw/zinc/38/56/19/822385619.db2.gz ZKZYHESAGPJOAU-CRAIPNDOSA-N 1 0 398.526 4.011 20 0 GIADRO COc1cc(OC)c([C@@H](C)[NH2+]Cc2ccc(Cn3cccn3)cc2)cc1Cl ZINC000178505785 822386059 /nfs/dbraw/zinc/38/60/59/822386059.db2.gz JONGROHULANSAZ-OAHLLOKOSA-N 1 0 385.895 4.453 20 0 GIADRO Cc1cc(Br)c(C[NH2+][C@H]2CCOC3(CCSCC3)C2)s1 ZINC000453572923 822386208 /nfs/dbraw/zinc/38/62/08/822386208.db2.gz OYFMDWFCCGFNMV-LBPRGKRZSA-N 1 0 376.385 4.353 20 0 GIADRO COc1cc(C[NH+]2CCC3(CC2)OCCc2ccccc23)ccc1OC(F)F ZINC000453573635 822386458 /nfs/dbraw/zinc/38/64/58/822386458.db2.gz JYNGPMPZNGFMJK-UHFFFAOYSA-N 1 0 389.442 4.361 20 0 GIADRO CC1(C)C[C@@H](C[NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CCO1 ZINC000453575265 822386860 /nfs/dbraw/zinc/38/68/60/822386860.db2.gz DDZUYAJTUKBQPV-INIZCTEOSA-N 1 0 381.442 4.245 20 0 GIADRO c1nc(-c2ccccn2)sc1C[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000453576090 822386915 /nfs/dbraw/zinc/38/69/15/822386915.db2.gz LRRCDWWJQRMNGJ-UHFFFAOYSA-N 1 0 377.513 4.269 20 0 GIADRO COc1cc(Br)ccc1C[NH2+][C@H](c1cccs1)C(C)(C)CO ZINC000453577491 822387005 /nfs/dbraw/zinc/38/70/05/822387005.db2.gz OSKAAEPIJBGQRC-MRXNPFEDSA-N 1 0 384.339 4.369 20 0 GIADRO Cc1c([C@H](C)[NH2+]CCCc2nc(C(C)C)no2)nnn1-c1ccc(Cl)cc1 ZINC000178515632 822387069 /nfs/dbraw/zinc/38/70/69/822387069.db2.gz GWTIYMZUSMFPRS-ZDUSSCGKSA-N 1 0 388.903 4.019 20 0 GIADRO C[C@@H](Nc1cccc(C(=O)N2CCCCC2)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000182891388 822387289 /nfs/dbraw/zinc/38/72/89/822387289.db2.gz HWPIGKNYJVIIAI-LJQANCHMSA-N 1 0 395.547 4.426 20 0 GIADRO C[C@@H]([NH2+]CCCc1nnc2n1CCCCC2)c1cc(Br)ccc1F ZINC000178526982 822388098 /nfs/dbraw/zinc/38/80/98/822388098.db2.gz ZTMYBJVMHWVDPM-CYBMUJFWSA-N 1 0 395.320 4.190 20 0 GIADRO CC(C)CC(=O)Nc1ccc(N[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000182901985 822389234 /nfs/dbraw/zinc/38/92/34/822389234.db2.gz UZGASUQCHXLVCK-GCJKJVERSA-N 1 0 380.536 4.389 20 0 GIADRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2ccc(C(F)(F)F)nc2Cl)C1 ZINC000178544094 822390192 /nfs/dbraw/zinc/39/01/92/822390192.db2.gz FBVHUOWOOLFZCL-STQMWFEESA-N 1 0 391.865 4.242 20 0 GIADRO Cc1nc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)sc1C ZINC000178546763 822390579 /nfs/dbraw/zinc/39/05/79/822390579.db2.gz IEKIJAJTQXEHQE-RTBURBONSA-N 1 0 384.549 4.278 20 0 GIADRO CC(=O)N(c1nc(C[NH2+]CCC2CC(F)(F)C2)cs1)c1ccc(F)cc1 ZINC000453595171 822390592 /nfs/dbraw/zinc/39/05/92/822390592.db2.gz XXJIWXAHKLPXHK-UHFFFAOYSA-N 1 0 383.439 4.492 20 0 GIADRO OCC1([C@@H]([NH2+]Cc2ccc(Br)cn2)c2ccccc2)CCCC1 ZINC000453597149 822390734 /nfs/dbraw/zinc/39/07/34/822390734.db2.gz BXRLWDYCWCWSSS-SFHVURJKSA-N 1 0 375.310 4.228 20 0 GIADRO CCOC(=O)/C=C/c1ccc(NC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000182911093 822391346 /nfs/dbraw/zinc/39/13/46/822391346.db2.gz NRMNXXXZBRQNOU-GKERGOQESA-N 1 0 399.535 4.037 20 0 GIADRO COc1ccc(C[C@@H]([NH2+]Cc2ccc(CO)c(F)c2)c2ccc(OC)cc2)cc1 ZINC000178562715 822391987 /nfs/dbraw/zinc/39/19/87/822391987.db2.gz BNZYDQDYZGMEFG-XMMPIXPASA-N 1 0 395.474 4.409 20 0 GIADRO FC(F)(F)CN1Cc2ccc(NC3CC[NH+](Cc4cccnc4)CC3)cc2C1 ZINC000453607479 822392118 /nfs/dbraw/zinc/39/21/18/822392118.db2.gz GADPOGQSBSXHFI-UHFFFAOYSA-N 1 0 390.453 4.036 20 0 GIADRO Cc1ccc([C@@H](C)N(C)C(=O)C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)c(C)c1 ZINC000453608229 822392399 /nfs/dbraw/zinc/39/23/99/822392399.db2.gz UMMVRYAKYFDCQT-VGSWGCGISA-N 1 0 393.531 4.010 20 0 GIADRO COCC[N@H+](C/C(C)=C/c1ccccc1OC(F)F)Cc1c(C)nn(C)c1C ZINC000453614513 822393362 /nfs/dbraw/zinc/39/33/62/822393362.db2.gz ODLGGMKVUWVFIZ-NTCAYCPXSA-N 1 0 393.478 4.190 20 0 GIADRO CCc1nc(C)c([C@H](C)N(C)C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)s1 ZINC000182925238 822393888 /nfs/dbraw/zinc/39/38/88/822393888.db2.gz HEQGRWBXTRZXNA-HYVNUMGLSA-N 1 0 392.613 4.369 20 0 GIADRO COc1ccccc1[C@H](NC(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1ccco1 ZINC000178584059 822394043 /nfs/dbraw/zinc/39/40/43/822394043.db2.gz CBICKFONDYMEHC-QFIPXVFZSA-N 1 0 397.519 4.038 20 0 GIADRO Cc1cccc([C@H]2CCCN2C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000178587862 822394429 /nfs/dbraw/zinc/39/44/29/822394429.db2.gz ZMXRINCCKHXVDC-HSZRJFAPSA-N 1 0 392.547 4.149 20 0 GIADRO COc1ccc(C[NH2+][C@H](c2ccccc2)C2(CO)CCCC2)c(OC)c1OC ZINC000453624132 822394732 /nfs/dbraw/zinc/39/47/32/822394732.db2.gz WYMRZHUKHIRKDR-JOCHJYFZSA-N 1 0 385.504 4.096 20 0 GIADRO C[C@@H](NC(=O)NC[C@H](c1ccsc1)[NH+](C)C)c1ccc(OC(F)F)cc1 ZINC000045541631 822394959 /nfs/dbraw/zinc/39/49/59/822394959.db2.gz GYKDAZFFPNKDCG-MLGOLLRUSA-N 1 0 383.464 4.013 20 0 GIADRO COc1ccc([C@H](C)NCc2cn3c(cccc3C)n2)cc1C[NH+]1CCCCC1 ZINC000182930730 822395047 /nfs/dbraw/zinc/39/50/47/822395047.db2.gz FZWXSMWJUXUAOS-IBGZPJMESA-N 1 0 392.547 4.488 20 0 GIADRO COc1ccc(OC(F)F)c(NC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000182933588 822395368 /nfs/dbraw/zinc/39/53/68/822395368.db2.gz WHNSNYFYWIWGHO-ZIAGYGMSSA-N 1 0 397.466 4.071 20 0 GIADRO O[C@@H](C[NH2+][C@H]1CCSc2c(F)cccc21)c1cc(Cl)c2c(c1)OCCO2 ZINC000178604393 822395470 /nfs/dbraw/zinc/39/54/70/822395470.db2.gz VVVFAQASZNEHFS-HOTGVXAUSA-N 1 0 395.883 4.110 20 0 GIADRO COc1ccc(OC(F)F)c(NC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000182933608 822395593 /nfs/dbraw/zinc/39/55/93/822395593.db2.gz WHNSNYFYWIWGHO-KBPBESRZSA-N 1 0 397.466 4.071 20 0 GIADRO O=C(NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1)N1CCSCC1 ZINC000045568023 822395830 /nfs/dbraw/zinc/39/58/30/822395830.db2.gz DMEQMLADXACNIP-UHFFFAOYSA-N 1 0 395.572 4.208 20 0 GIADRO Cc1nc(C)c([C@H](C)N(C)C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)s1 ZINC000182937502 822396133 /nfs/dbraw/zinc/39/61/33/822396133.db2.gz DFJPVTFNJOOQKU-JLJPHGGASA-N 1 0 378.586 4.115 20 0 GIADRO Cc1ccccc1OCCCN(C)C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182941356 822397001 /nfs/dbraw/zinc/39/70/01/822397001.db2.gz MDYFFBLMLWHFOC-PMACEKPBSA-N 1 0 387.568 4.058 20 0 GIADRO CCSc1ccc([C@H](C)[NH2+][C@H](C)c2cccc(S(=O)(=O)NC)c2)cc1 ZINC000178621685 822397067 /nfs/dbraw/zinc/39/70/67/822397067.db2.gz GGZBSBBXCSSKNT-LSDHHAIUSA-N 1 0 378.563 4.119 20 0 GIADRO CC(C)[C@@H]([NH2+][C@@H](C)CC(=O)Nc1cccnc1Cl)c1nc2ccccc2[nH]1 ZINC000178644151 822399056 /nfs/dbraw/zinc/39/90/56/822399056.db2.gz RKCOSHOJWLYVHR-SCLBCKFNSA-N 1 0 385.899 4.315 20 0 GIADRO Cc1c([C@H](C)[NH2+]C[C@@H](CCO)c2ccccc2)nnn1-c1ccc(Cl)cc1 ZINC000178651339 822399638 /nfs/dbraw/zinc/39/96/38/822399638.db2.gz SBKTVLQXQDDWKW-MAUKXSAKSA-N 1 0 384.911 4.046 20 0 GIADRO OCC[C@@H](C[NH2+][C@@H]1CCCOc2cc(Br)ccc21)c1ccccc1 ZINC000178653581 822399814 /nfs/dbraw/zinc/39/98/14/822399814.db2.gz XFBPKJMKPWRXHP-QFBILLFUSA-N 1 0 390.321 4.419 20 0 GIADRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@H]1CC(c2c(F)cccc2F)=NO1 ZINC000178655829 822400020 /nfs/dbraw/zinc/40/00/20/822400020.db2.gz DGWMYTYTKYBFOS-HXUWFJFHSA-N 1 0 399.441 4.001 20 0 GIADRO C[C@@H](NC(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000045626088 822401273 /nfs/dbraw/zinc/40/12/73/822401273.db2.gz YCOBDMWFEJYCHU-OAHLLOKOSA-N 1 0 383.458 4.284 20 0 GIADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)/C=C/c2ccc(Cl)s2)CC1 ZINC000178671967 822401513 /nfs/dbraw/zinc/40/15/13/822401513.db2.gz ZSSGLGVXYNLTFW-LYKUJDHUSA-N 1 0 375.925 4.152 20 0 GIADRO C[C@H](C(=O)Nc1ccc2nc(N3CCCC3)sc2c1)[C@H]([NH3+])c1ccccc1 ZINC000178675406 822401853 /nfs/dbraw/zinc/40/18/53/822401853.db2.gz BSVSJQAPVAETKA-LIRRHRJNSA-N 1 0 380.517 4.171 20 0 GIADRO Cc1ccc(OCCCC(=O)Nc2ccc(C[NH2+][C@@H]3CCO[C@@H]3C)cc2)cc1 ZINC000178676701 822401897 /nfs/dbraw/zinc/40/18/97/822401897.db2.gz UGJKPEIKKUVWNX-XMSQKQJNSA-N 1 0 382.504 4.060 20 0 GIADRO C[C@H](Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)c1ccc(-n2cnnn2)cc1 ZINC000182972634 822402349 /nfs/dbraw/zinc/40/23/49/822402349.db2.gz GERXYMPZUVMFST-ROUUACIJSA-N 1 0 376.508 4.210 20 0 GIADRO COc1ccccc1CN(C)C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000045656607 822402904 /nfs/dbraw/zinc/40/29/04/822402904.db2.gz ZYJXHKXHLYQZOV-UHFFFAOYSA-N 1 0 395.547 4.269 20 0 GIADRO C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000178703267 822404007 /nfs/dbraw/zinc/40/40/07/822404007.db2.gz BJYVGTZIUSJRDL-INIZCTEOSA-N 1 0 389.927 4.100 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@@H](c2ccccc2)c2ccncc2)cc1 ZINC000178704145 822404247 /nfs/dbraw/zinc/40/42/47/822404247.db2.gz ZNDNBCLULCTYID-JTSKRJEESA-N 1 0 395.528 4.283 20 0 GIADRO O=C1Nc2ccccc2C12CCC([NH2+]Cc1ccc(Br)s1)CC2 ZINC000178713806 822405083 /nfs/dbraw/zinc/40/50/83/822405083.db2.gz YZAKHTHINGWBMQ-UHFFFAOYSA-N 1 0 391.334 4.433 20 0 GIADRO CC[C@@H](C)NC(=O)CC[NH2+][C@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000178716863 822405323 /nfs/dbraw/zinc/40/53/23/822405323.db2.gz NLYHGSOXVHNSCE-ZIAGYGMSSA-N 1 0 375.538 4.083 20 0 GIADRO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000182986108 822405445 /nfs/dbraw/zinc/40/54/45/822405445.db2.gz OIKBUOXTQRDFKT-UHFFFAOYSA-N 1 0 395.425 4.271 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1)c1ccc(N2CCOC2=O)cc1 ZINC000178722158 822405523 /nfs/dbraw/zinc/40/55/23/822405523.db2.gz XYHLIMFAKAXSOL-DLBZAZTESA-N 1 0 393.487 4.182 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1)c1ccc(N2CCCC2=O)cc1 ZINC000178722149 822405525 /nfs/dbraw/zinc/40/55/25/822405525.db2.gz XYHLIMFAKAXSOL-SJORKVTESA-N 1 0 393.487 4.182 20 0 GIADRO Cc1cc([C@H](C)[NH2+]CC(=O)N[C@H](c2nccs2)c2ccccc2)c(C)s1 ZINC000182986893 822405641 /nfs/dbraw/zinc/40/56/41/822405641.db2.gz RVGFAPBBSJHSMA-LIRRHRJNSA-N 1 0 385.558 4.378 20 0 GIADRO CSc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000045696882 822405995 /nfs/dbraw/zinc/40/59/95/822405995.db2.gz MFIGNQWUHFQBBL-QGZVFWFLSA-N 1 0 397.544 4.088 20 0 GIADRO O=C(NC[C@@H]1CCC[NH2+]1)c1oc2ccccc2c1COc1ccccc1Cl ZINC000178731079 822406116 /nfs/dbraw/zinc/40/61/16/822406116.db2.gz PYDOCYLWNXQRQS-AWEZNQCLSA-N 1 0 384.863 4.147 20 0 GIADRO CCCCN(C(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)C1CCCCC1 ZINC000453764048 822408289 /nfs/dbraw/zinc/40/82/89/822408289.db2.gz BXWGPISPGUEZJZ-OAQYLSRUSA-N 1 0 385.552 4.135 20 0 GIADRO CCc1cccc(C)c1NC(=O)C[NH2+][C@@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000183006043 822409853 /nfs/dbraw/zinc/40/98/53/822409853.db2.gz SUUMRKWIBUCZQX-INIZCTEOSA-N 1 0 394.494 4.480 20 0 GIADRO C[C@H](Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1)c1cccc(C(F)(F)F)c1 ZINC000183009120 822410591 /nfs/dbraw/zinc/41/05/91/822410591.db2.gz QXOUCUUZZAKPLI-IFXJQAMLSA-N 1 0 391.437 4.328 20 0 GIADRO CC(C)(C)[C@H](NC(=O)NC1CC[NH+](Cc2ccccn2)CC1)c1ccccc1 ZINC000045754041 822410652 /nfs/dbraw/zinc/41/06/52/822410652.db2.gz ULGYRDBCTDSBEZ-OAQYLSRUSA-N 1 0 380.536 4.133 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)N(C)CCCc2ccccc2)CC1 ZINC000045757410 822410990 /nfs/dbraw/zinc/41/09/90/822410990.db2.gz RJNKDHBSPHQYJQ-UHFFFAOYSA-N 1 0 379.548 4.234 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)Nc2ccc(N(C)C)cc2C)CC1 ZINC000045758951 822411025 /nfs/dbraw/zinc/41/10/25/822411025.db2.gz ZSLSXGBZDKIIGV-UHFFFAOYSA-N 1 0 380.536 4.156 20 0 GIADRO COc1ccc2cc(CNC(=O)N3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)ccc2c1 ZINC000178804231 822411989 /nfs/dbraw/zinc/41/19/89/822411989.db2.gz PRIVEXGWMREHRC-NFBKMPQASA-N 1 0 393.531 4.007 20 0 GIADRO Cc1noc(C)c1CN(C)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000045779068 822412604 /nfs/dbraw/zinc/41/26/04/822412604.db2.gz FLKRTBWUAAESRJ-MRXNPFEDSA-N 1 0 384.524 4.007 20 0 GIADRO COc1ccc([C@H](C)NCc2nccn2CC(C)C)cc1C[NH+]1CCCCC1 ZINC000183021088 822412680 /nfs/dbraw/zinc/41/26/80/822412680.db2.gz HWEAEGHFEVGPKB-IBGZPJMESA-N 1 0 384.568 4.384 20 0 GIADRO C[C@@H]([NH3+])C1CCN(C(=O)c2ccccc2Nc2ccc(OC(F)F)cc2)CC1 ZINC000178812077 822412899 /nfs/dbraw/zinc/41/28/99/822412899.db2.gz GVEYLFBDWFXTGE-CQSZACIVSA-N 1 0 389.446 4.231 20 0 GIADRO Cc1cc([C@@H]2CCCN2C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)on1 ZINC000045780714 822413100 /nfs/dbraw/zinc/41/31/00/822413100.db2.gz DJKAHTNNZNBPDW-RXVVDRJESA-N 1 0 396.535 4.404 20 0 GIADRO COc1cccc(CN(C)C(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000045786641 822413492 /nfs/dbraw/zinc/41/34/92/822413492.db2.gz ZYQUPDREMCICDN-LJQANCHMSA-N 1 0 395.547 4.269 20 0 GIADRO COc1ccc(-c2cc(C(=O)N3CCC([C@@H](C)[NH3+])CC3)c3ccccc3n2)cc1 ZINC000178828623 822414494 /nfs/dbraw/zinc/41/44/94/822414494.db2.gz HWXYYQYLSARKNT-MRXNPFEDSA-N 1 0 389.499 4.110 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCc2ccccc21)c1ccc(NC(=O)C2CC2)cc1 ZINC000045812379 822415331 /nfs/dbraw/zinc/41/53/31/822415331.db2.gz AEIAMLHRSYKZCL-SJORKVTESA-N 1 0 391.515 4.054 20 0 GIADRO Cc1ccccc1CN(C)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000045813154 822415695 /nfs/dbraw/zinc/41/56/95/822415695.db2.gz TXYZWRGVKUDCCN-MSOLQXFVSA-N 1 0 393.531 4.041 20 0 GIADRO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)c(F)c1 ZINC000045813294 822415876 /nfs/dbraw/zinc/41/58/76/822415876.db2.gz SHHGMQFVEURCMA-CABCVRRESA-N 1 0 383.467 4.160 20 0 GIADRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(C(F)(F)F)cc2)cc1OC ZINC000045820849 822416616 /nfs/dbraw/zinc/41/66/16/822416616.db2.gz STDJLNMJRRJAGC-STQMWFEESA-N 1 0 396.409 4.400 20 0 GIADRO O=C(CSCc1cscn1)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000178859298 822417041 /nfs/dbraw/zinc/41/70/41/822417041.db2.gz FZFJGWNNQIPTIC-UHFFFAOYSA-N 1 0 375.563 4.391 20 0 GIADRO C[C@H]([NH3+])C1CCN(C(=O)[C@H](Sc2ccc(F)c(F)c2)c2ccccc2)CC1 ZINC000178861644 822417322 /nfs/dbraw/zinc/41/73/22/822417322.db2.gz UEPZVKITVLFBHL-VBKZILBWSA-N 1 0 390.499 4.384 20 0 GIADRO COCc1noc([C@H](C)[NH2+]CC2(c3cccc(C(F)(F)F)c3)CCCC2)n1 ZINC000183048963 822417594 /nfs/dbraw/zinc/41/75/94/822417594.db2.gz IDAQOMMTFZDNKM-ZDUSSCGKSA-N 1 0 383.414 4.397 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1cc2cnn(C(C)C)c2nc1C)c1ccccc1 ZINC000045843392 822418642 /nfs/dbraw/zinc/41/86/42/822418642.db2.gz BDVOKXNHNDLNQZ-OAQYLSRUSA-N 1 0 393.535 4.134 20 0 GIADRO C[C@H]1CCCN(C(=O)C2CC[NH+](CCc3cccc(OC(F)(F)F)c3)CC2)C1 ZINC000178916708 822421516 /nfs/dbraw/zinc/42/15/16/822421516.db2.gz KMGVHQVYMIFTFJ-INIZCTEOSA-N 1 0 398.469 4.098 20 0 GIADRO CC[C@@H](Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccc2c(c1)OCCO2 ZINC000183078671 822421771 /nfs/dbraw/zinc/42/17/71/822421771.db2.gz BCEZCLYWAUTPPZ-JOCHJYFZSA-N 1 0 396.531 4.225 20 0 GIADRO COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]CCCc2ccccn2)c1 ZINC000178935736 822422969 /nfs/dbraw/zinc/42/29/69/822422969.db2.gz DZROOQDSZIEBDN-UHFFFAOYSA-N 1 0 378.520 4.431 20 0 GIADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1NC(=O)OCc1ccccc1 ZINC000183095300 822423699 /nfs/dbraw/zinc/42/36/99/822423699.db2.gz HXHZCBXCCQBAQZ-LJQANCHMSA-N 1 0 395.503 4.040 20 0 GIADRO CC[NH+](CC)Cc1cc([C@@H](C)N[C@H]2CCCn3nc(C(C)C)nc32)ccc1OC ZINC000183103059 822424720 /nfs/dbraw/zinc/42/47/20/822424720.db2.gz ZCBGWSQFPYVHLD-XLIONFOSSA-N 1 0 399.583 4.438 20 0 GIADRO COCc1noc([C@@H](C)[NH2+]CC2(c3cccc(Br)c3)CCCC2)n1 ZINC000183105632 822425248 /nfs/dbraw/zinc/42/52/48/822425248.db2.gz NUBOUQIMGRPRIT-CYBMUJFWSA-N 1 0 394.313 4.141 20 0 GIADRO C[NH2+]C[C@H]1CCN(C(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)C1 ZINC000178979163 822425890 /nfs/dbraw/zinc/42/58/90/822425890.db2.gz ZQXYIAHMVYBOSP-CQSZACIVSA-N 1 0 378.394 4.179 20 0 GIADRO O=C(C[NH+]1CCCCCC1)Nc1ccc(NC(=O)c2c(F)cccc2F)cc1 ZINC000045941786 822426012 /nfs/dbraw/zinc/42/60/12/822426012.db2.gz IQYBTJUUPWMFJC-UHFFFAOYSA-N 1 0 387.430 4.032 20 0 GIADRO O=C(C[NH+]1CCCCCC1)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC000045941828 822426017 /nfs/dbraw/zinc/42/60/17/822426017.db2.gz AVXSSWDCXPKRON-UHFFFAOYSA-N 1 0 391.471 4.500 20 0 GIADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)Nc2ccc(Br)cc2F)C1 ZINC000045957577 822426820 /nfs/dbraw/zinc/42/68/20/822426820.db2.gz BUQFVAHPDMWACU-CYBMUJFWSA-N 1 0 386.309 4.222 20 0 GIADRO C[NH2+]C[C@@H]1CCN(C(=O)c2c3ccccc3nc3c2C[C@@H](C(C)(C)C)CC3)C1 ZINC000178989624 822426902 /nfs/dbraw/zinc/42/69/02/822426902.db2.gz AZKRRZMLTVZNTG-IRXDYDNUSA-N 1 0 379.548 4.067 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1ccc(-n2cccn2)c(Cl)c1 ZINC000183119832 822427155 /nfs/dbraw/zinc/42/71/55/822427155.db2.gz RJGOFQYVUIMKON-JXFKEZNVSA-N 1 0 381.911 4.243 20 0 GIADRO COc1cc(OC)c(NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)cc1Cl ZINC000045974999 822428176 /nfs/dbraw/zinc/42/81/76/822428176.db2.gz OCCITAJTZUUSKJ-CQSZACIVSA-N 1 0 383.920 4.133 20 0 GIADRO O=C(Nc1ccc(F)cc1)NC1CC[NH+](Cc2cccc3cnccc32)CC1 ZINC000183129631 822428222 /nfs/dbraw/zinc/42/82/22/822428222.db2.gz XWUKSWUIJLYHDR-UHFFFAOYSA-N 1 0 378.451 4.160 20 0 GIADRO COc1ccc(C[NH2+]Cc2cc(Br)cc(C(F)(F)F)c2)cc1O ZINC000179002977 822428601 /nfs/dbraw/zinc/42/86/01/822428601.db2.gz OODCYPJFMOKXOK-UHFFFAOYSA-N 1 0 390.199 4.472 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)cc1 ZINC000183136791 822429071 /nfs/dbraw/zinc/42/90/71/822429071.db2.gz QLQOYIGYYCRQAC-SJORKVTESA-N 1 0 394.494 4.190 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)[NH2+]CC(=O)N(C)[C@H](C)c2ccc(F)cc2)cc1 ZINC000183136863 822429096 /nfs/dbraw/zinc/42/90/96/822429096.db2.gz QLQOYIGYYCRQAC-DLBZAZTESA-N 1 0 394.494 4.190 20 0 GIADRO COc1ccc([C@H]2CCCN2C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000045984762 822430210 /nfs/dbraw/zinc/43/02/10/822430210.db2.gz RVCVKRVFJBVTIT-HSZRJFAPSA-N 1 0 393.531 4.338 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)Nc2cnn(-c3ccccc3)c2)CC1 ZINC000183148052 822431247 /nfs/dbraw/zinc/43/12/47/822431247.db2.gz UJPWUEPFNVZIIZ-UHFFFAOYSA-N 1 0 383.540 4.238 20 0 GIADRO COc1ccc(C[NH2+]Cc2cccc(N(C)C)n2)cc1OCc1ccccc1 ZINC000179032980 822431862 /nfs/dbraw/zinc/43/18/62/822431862.db2.gz IOXSPZKPWOPALV-UHFFFAOYSA-N 1 0 377.488 4.025 20 0 GIADRO CC1(C)CN(C(=O)NCc2ccco2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000454130254 822432146 /nfs/dbraw/zinc/43/21/46/822432146.db2.gz GUENWIFVNYRQOI-OAQYLSRUSA-N 1 0 381.520 4.112 20 0 GIADRO CC1CC[NH+](CCCCNC(=O)NCc2ccnc(Oc3ccccc3)c2)CC1 ZINC000045997309 822432373 /nfs/dbraw/zinc/43/23/73/822432373.db2.gz ZWDNHIJHEDCUPA-UHFFFAOYSA-N 1 0 396.535 4.185 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)NCc2ccnc(Oc3ccccc3)c2)c1 ZINC000045997306 822432401 /nfs/dbraw/zinc/43/24/01/822432401.db2.gz SNAWKFZDHZHMAV-UHFFFAOYSA-N 1 0 376.460 4.257 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1C(F)(F)F)c1ccccc1-n1cccn1 ZINC000183163355 822433605 /nfs/dbraw/zinc/43/36/05/822433605.db2.gz MHNBLNXNGYPNFY-CQSZACIVSA-N 1 0 388.393 4.180 20 0 GIADRO O=C1C[C@H](C[NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)CN1Cc1ccccc1 ZINC000179055576 822434087 /nfs/dbraw/zinc/43/40/87/822434087.db2.gz YSPPSFPOWFYBNC-MRXNPFEDSA-N 1 0 396.840 4.497 20 0 GIADRO C[C@@H](CNC(=O)Nc1ccc(N(C)C)cc1C(F)(F)F)[N@@H+]1CCCC[C@@H]1C ZINC000046009456 822434231 /nfs/dbraw/zinc/43/42/31/822434231.db2.gz KVKRQNDYLSCNLJ-KBPBESRZSA-N 1 0 386.462 4.156 20 0 GIADRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)[C@@H](C)c1ccccc1 ZINC000183169875 822435049 /nfs/dbraw/zinc/43/50/49/822435049.db2.gz BZCYRAQSWITMFV-SIKLNZKXSA-N 1 0 388.515 4.381 20 0 GIADRO COc1ccc([C@H](C)NCc2ccccc2[N+](=O)[O-])cc1C[NH+]1CCCCC1 ZINC000183178610 822436249 /nfs/dbraw/zinc/43/62/49/822436249.db2.gz TYNRWKKZCTZEGU-KRWDZBQOSA-N 1 0 383.492 4.440 20 0 GIADRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(Cl)nc2)cc1 ZINC000179096654 822437746 /nfs/dbraw/zinc/43/77/46/822437746.db2.gz SVVXEHBOVVDCCY-CABCVRRESA-N 1 0 395.956 4.177 20 0 GIADRO O=C(c1cc(-c2ccccn2)ccc1Cl)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000179109752 822439147 /nfs/dbraw/zinc/43/91/47/822439147.db2.gz UCNOAGAIRWOXPR-UHFFFAOYSA-N 1 0 383.923 4.493 20 0 GIADRO CC(C)c1cccc2c1OCCC[C@H]2[NH2+]Cc1ccccc1CS(C)(=O)=O ZINC000179113769 822439739 /nfs/dbraw/zinc/43/97/39/822439739.db2.gz LWGJDHVDJDOGNG-OAQYLSRUSA-N 1 0 387.545 4.358 20 0 GIADRO O=C(C[N@@H+]1CCC[C@@H]1c1ccsc1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000046089364 822440711 /nfs/dbraw/zinc/44/07/11/822440711.db2.gz UGYDHCSJHLBAOU-RTBURBONSA-N 1 0 398.528 4.020 20 0 GIADRO COc1cccnc1CNC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000454233245 822441709 /nfs/dbraw/zinc/44/17/09/822441709.db2.gz WWTBPBMYGZWCDH-UHFFFAOYSA-N 1 0 382.508 4.176 20 0 GIADRO C[NH+](C)C1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2Br)CC1 ZINC000179139237 822442087 /nfs/dbraw/zinc/44/20/87/822442087.db2.gz YOZGUHFYFRDMLY-UHFFFAOYSA-N 1 0 394.235 4.026 20 0 GIADRO CSc1ccc([C@H](CNC(=O)Nc2nc(C3CC3)cs2)[NH+](C)C)cc1 ZINC000454259332 822445047 /nfs/dbraw/zinc/44/50/47/822445047.db2.gz NQYZNCDBUMIOGE-INIZCTEOSA-N 1 0 376.551 4.167 20 0 GIADRO CC(C)(C)OC(=O)Nc1cccc(C[N@@H+]2CCCN(c3nccs3)CC2)c1 ZINC000179163505 822446095 /nfs/dbraw/zinc/44/60/95/822446095.db2.gz YMHRDIPWZFJWCQ-UHFFFAOYSA-N 1 0 388.537 4.202 20 0 GIADRO CCC[C@@H]1C[C@@H](C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)CCO1 ZINC000183248336 822448125 /nfs/dbraw/zinc/44/81/25/822448125.db2.gz BRKLMSMZOVBDGM-SXLOBPIMSA-N 1 0 378.944 4.188 20 0 GIADRO Cn1ccnc1[C@H]([NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1)C1CC1 ZINC000183254983 822449029 /nfs/dbraw/zinc/44/90/29/822449029.db2.gz IZURZPLVZCCILV-GOSISDBHSA-N 1 0 393.453 4.228 20 0 GIADRO CCC[N@H+](CC(=O)Nc1ccc(F)c(F)c1F)Cc1cccc(COC)c1 ZINC000179192544 822449079 /nfs/dbraw/zinc/44/90/79/822449079.db2.gz SPIHSKDITDGKAF-UHFFFAOYSA-N 1 0 380.410 4.101 20 0 GIADRO C[C@H](N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1ncc(Br)s1 ZINC000179197364 822449553 /nfs/dbraw/zinc/44/95/53/822449553.db2.gz ZFBIPVWIMKOBRZ-ZFWWWQNUSA-N 1 0 380.355 4.393 20 0 GIADRO CCOCc1cc(C[N@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)ccc1OC ZINC000179197228 822449603 /nfs/dbraw/zinc/44/96/03/822449603.db2.gz YSXNHEUPXBDJQU-QGZVFWFLSA-N 1 0 380.492 4.005 20 0 GIADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2cccc(Br)c2Cl)C1 ZINC000183274373 822452186 /nfs/dbraw/zinc/45/21/86/822452186.db2.gz PCESGRTVLHDVIW-CYBMUJFWSA-N 1 0 387.749 4.344 20 0 GIADRO COc1cccc([C@@H]2[C@H](NC(=O)c3ccc4ncsc4c3)CC[N@@H+]2C2CC2)c1 ZINC000183276702 822452391 /nfs/dbraw/zinc/45/23/91/822452391.db2.gz KGNAWSSFIBUZKV-TZIWHRDSSA-N 1 0 393.512 4.013 20 0 GIADRO COc1cccc([C@H]2[C@@H](NC(=O)c3ccc4ncsc4c3)CC[N@@H+]2C2CC2)c1 ZINC000183276755 822452654 /nfs/dbraw/zinc/45/26/54/822452654.db2.gz KGNAWSSFIBUZKV-FPOVZHCZSA-N 1 0 393.512 4.013 20 0 GIADRO C[C@H](C[NH2+][C@H](C)c1ncc(Br)s1)N1CCc2ccccc2C1 ZINC000179215669 822452688 /nfs/dbraw/zinc/45/26/88/822452688.db2.gz GEWZCPPOIYDJMP-CHWSQXEVSA-N 1 0 380.355 4.003 20 0 GIADRO COc1cccc([C@@H](C[NH2+][C@H](c2ccccc2)c2ccc(F)cn2)N(C)C)c1 ZINC000183281154 822453044 /nfs/dbraw/zinc/45/30/44/822453044.db2.gz LHPKFZLVFFQADU-DHIUTWEWSA-N 1 0 379.479 4.211 20 0 GIADRO Fc1ccc([C@H]([NH2+]C[C@@H](c2cccs2)N2CCOCC2)c2ccccc2)nc1 ZINC000183291661 822454019 /nfs/dbraw/zinc/45/40/19/822454019.db2.gz XGMXGHLDMNZXAX-RBBKRZOGSA-N 1 0 397.519 4.035 20 0 GIADRO C[C@@H]([NH2+]CCc1ccn(-c2ccc(F)cc2)n1)c1ncc(Br)s1 ZINC000179234823 822455092 /nfs/dbraw/zinc/45/50/92/822455092.db2.gz RMASHGDGPMRHSU-LLVKDONJSA-N 1 0 395.301 4.124 20 0 GIADRO COCc1cccc(C[N@@H+]2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)c1 ZINC000179235810 822455411 /nfs/dbraw/zinc/45/54/11/822455411.db2.gz PCHLIEJJGAKWAS-IBGZPJMESA-N 1 0 385.483 4.006 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)N2CC(c3cccc(Cl)c3)C2)CC1 ZINC000454306633 822455419 /nfs/dbraw/zinc/45/54/19/822455419.db2.gz SPUFOEYXHIGRKX-UHFFFAOYSA-N 1 0 398.938 4.113 20 0 GIADRO CCc1noc(C)c1CNC(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000454307567 822455616 /nfs/dbraw/zinc/45/56/16/822455616.db2.gz APZAIGLFVHNHHU-CALCHBBNSA-N 1 0 398.551 4.023 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)N(Cc1ccc(C)o1)C1CC1)c1ccsc1 ZINC000046253842 822455687 /nfs/dbraw/zinc/45/56/87/822455687.db2.gz MRZAJMPZVFYMQT-LJQANCHMSA-N 1 0 375.538 4.407 20 0 GIADRO CCOc1cc(NC(=O)NC[C@H](c2ccsc2)[NH+](CC)CC)ccc1OC ZINC000046253275 822455698 /nfs/dbraw/zinc/45/56/98/822455698.db2.gz BXNBLHQPAPXPEX-QGZVFWFLSA-N 1 0 391.537 4.360 20 0 GIADRO C[C@H](N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1ncc(Br)s1 ZINC000179239081 822456026 /nfs/dbraw/zinc/45/60/26/822456026.db2.gz JCRSXXXZGQJDRN-VNHYZAJKSA-N 1 0 380.355 4.219 20 0 GIADRO COc1ccc(-c2ccc(C[NH2+]C3CCN(CC(F)(F)F)CC3)cc2)cc1 ZINC000183306160 822456497 /nfs/dbraw/zinc/45/64/97/822456497.db2.gz HRCGYLNFVVKAIA-UHFFFAOYSA-N 1 0 378.438 4.479 20 0 GIADRO CC(C)Cn1cc(C[NH+]2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)cn1 ZINC000183308062 822456774 /nfs/dbraw/zinc/45/67/74/822456774.db2.gz IIPZAGNTKDIWNR-UHFFFAOYSA-N 1 0 392.906 4.182 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)NC[C@@H]2CCCCC2(F)F)CC1 ZINC000454324294 822458057 /nfs/dbraw/zinc/45/80/57/822458057.db2.gz VMBBVHSWHQLUJT-SFHVURJKSA-N 1 0 379.495 4.084 20 0 GIADRO CSc1cccc(N(C(=O)c2nc(C)sc2C)C2CC[NH+](C)CC2)c1 ZINC000179270920 822459558 /nfs/dbraw/zinc/45/95/58/822459558.db2.gz AGBNTCFEGHBECG-UHFFFAOYSA-N 1 0 375.563 4.223 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+][C@@H]2CCN(c3ccc(Cl)cc3)C2)s1 ZINC000183332182 822460068 /nfs/dbraw/zinc/46/00/68/822460068.db2.gz ZUZIKDGCBBSEGU-XJKSGUPXSA-N 1 0 379.957 4.223 20 0 GIADRO C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H](C)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000183343917 822461416 /nfs/dbraw/zinc/46/14/16/822461416.db2.gz KAMPFMWASGOKFL-ULQDDVLXSA-N 1 0 381.545 4.425 20 0 GIADRO C[N@@H+]1CC[C@H](CNC(=O)NCc2ccccc2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179289584 822461458 /nfs/dbraw/zinc/46/14/58/822461458.db2.gz URVLKGANHHVNOD-BEFAXECRSA-N 1 0 393.865 4.110 20 0 GIADRO CCC[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCO[C@@H](CC)C3)cc2Cl)CC1 ZINC000183356958 822463060 /nfs/dbraw/zinc/46/30/60/822463060.db2.gz JZFTUCJTZQKEFY-WMZOPIPTSA-N 1 0 393.959 4.016 20 0 GIADRO O=C(NCCCCC[NH+]1CCCC1)NCc1nc2cc(Cl)ccc2s1 ZINC000454367161 822463227 /nfs/dbraw/zinc/46/32/27/822463227.db2.gz DXNDLFPMRYIHCV-UHFFFAOYSA-N 1 0 380.945 4.015 20 0 GIADRO CCC(CC)C(=O)N1CCC([NH2+][C@H](c2ccccc2)c2ccc(F)cn2)CC1 ZINC000183376012 822465762 /nfs/dbraw/zinc/46/57/62/822465762.db2.gz LUTQHUDNJBEFFH-JOCHJYFZSA-N 1 0 383.511 4.327 20 0 GIADRO O=C(CCCC[C@H]1CCSS1)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000046362556 822466213 /nfs/dbraw/zinc/46/62/13/822466213.db2.gz PJIPBWLLDGKSRD-IBGZPJMESA-N 1 0 378.607 4.265 20 0 GIADRO COc1ccc(CCC(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1Cl ZINC000046375524 822467236 /nfs/dbraw/zinc/46/72/36/822467236.db2.gz ZUPBYPJYGJXFAF-UHFFFAOYSA-N 1 0 386.923 4.193 20 0 GIADRO O[C@@H](C[C@H]1CCC[N@@H+]1Cc1ccc(OCC(F)(F)F)c(F)c1)c1ccco1 ZINC000183392359 822467677 /nfs/dbraw/zinc/46/76/77/822467677.db2.gz HQSBIBFFEPPUDS-ZBFHGGJFSA-N 1 0 387.373 4.448 20 0 GIADRO Cc1c([C@H](C)[NH2+]CC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)cnn1C ZINC000183409646 822469981 /nfs/dbraw/zinc/46/99/81/822469981.db2.gz AHZMTQRXKVDPDZ-KKSFZXQISA-N 1 0 382.552 4.040 20 0 GIADRO COC(=O)COc1ccccc1[C@@H](C)[NH2+]Cc1cccc(NC(=O)CC(C)C)c1 ZINC000183408806 822470095 /nfs/dbraw/zinc/47/00/95/822470095.db2.gz LRWDPJKUCQGROE-QGZVFWFLSA-N 1 0 398.503 4.074 20 0 GIADRO C[C@H](SCc1ccccc1)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000046404539 822470691 /nfs/dbraw/zinc/47/06/91/822470691.db2.gz CHEHIHWOCQXCMS-SFHVURJKSA-N 1 0 383.561 4.089 20 0 GIADRO C[C@@H](SCc1ccccc1)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000046404540 822470723 /nfs/dbraw/zinc/47/07/23/822470723.db2.gz CHEHIHWOCQXCMS-GOSISDBHSA-N 1 0 383.561 4.089 20 0 GIADRO Cc1ccccc1CCN(C)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000454408914 822470849 /nfs/dbraw/zinc/47/08/49/822470849.db2.gz NCLDLQQRJNHUOH-UHFFFAOYSA-N 1 0 385.577 4.153 20 0 GIADRO CSCC1CCC(NC(=O)NCC2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000454410567 822471111 /nfs/dbraw/zinc/47/11/11/822471111.db2.gz PSAOUXPUSFPXSN-UHFFFAOYSA-N 1 0 395.638 4.181 20 0 GIADRO Cc1ccc2c(c1)[C@@H](NC(=O)NC1CC[NH+]([C@@H](C)c3ccncc3)CC1)CCC2 ZINC000179362066 822471360 /nfs/dbraw/zinc/47/13/60/822471360.db2.gz ODPAHZNHTSOYQL-MBSDFSHPSA-N 1 0 392.547 4.292 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000179368320 822472274 /nfs/dbraw/zinc/47/22/74/822472274.db2.gz QPTRHHDVELTJJB-UHFFFAOYSA-N 1 0 377.492 4.333 20 0 GIADRO C[NH+](C)CCCOc1ccc(CNC(=O)N2CC3(CCC3)[C@@H]2c2ccco2)cc1 ZINC000454423442 822473296 /nfs/dbraw/zinc/47/32/96/822473296.db2.gz DQCUJZAAGQTPRG-NRFANRHFSA-N 1 0 397.519 4.047 20 0 GIADRO CCC(=O)Nc1ccc(Cl)c(NC(=O)NCC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000183435088 822474509 /nfs/dbraw/zinc/47/45/09/822474509.db2.gz DYBIVIJYBUHWJU-CQSZACIVSA-N 1 0 380.920 4.075 20 0 GIADRO C[C@H](CNC(=O)NCc1ccccc1C[NH+]1CCCCCC1)c1nccs1 ZINC000183436428 822474730 /nfs/dbraw/zinc/47/47/30/822474730.db2.gz NCBXMTBRXGTWPN-QGZVFWFLSA-N 1 0 386.565 4.122 20 0 GIADRO C[NH+](C)CCn1ccc(NC(=O)c2cc(Cl)ccc2SC2CCCC2)n1 ZINC000183438280 822474930 /nfs/dbraw/zinc/47/49/30/822474930.db2.gz VLBWGAWYAZYDPS-UHFFFAOYSA-N 1 0 392.956 4.385 20 0 GIADRO C[C@H](NC(=O)Nc1cccc(COCC2CC2)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183441495 822475336 /nfs/dbraw/zinc/47/53/36/822475336.db2.gz FWCBPJFWOOQKBU-FXAWDEMLSA-N 1 0 385.552 4.388 20 0 GIADRO Cc1ccc(C[NH+]2CCC(C(=O)N3CCC(C)CC3)CC2)cc1Br ZINC000179389939 822475575 /nfs/dbraw/zinc/47/55/75/822475575.db2.gz YFHGOYWRZIFWCU-UHFFFAOYSA-N 1 0 393.369 4.228 20 0 GIADRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C[C@@H]2CCN(c3ccc(F)cc3)C2)CC1 ZINC000183445305 822476086 /nfs/dbraw/zinc/47/60/86/822476086.db2.gz LIYPWBMMPRXAQC-HKUYNNGSSA-N 1 0 391.531 4.031 20 0 GIADRO C[C@@H]([NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1)c1ccccc1O ZINC000183451011 822476949 /nfs/dbraw/zinc/47/69/49/822476949.db2.gz VYVSLRJYKCHLFU-HUUCEWRRSA-N 1 0 375.310 4.332 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1)c1cc(C)ccc1OC ZINC000179399795 822477343 /nfs/dbraw/zinc/47/73/43/822477343.db2.gz KACPUOSIVIIVGU-JTSKRJEESA-N 1 0 396.531 4.463 20 0 GIADRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]CCSCc2ccccc2C#N)CC1 ZINC000183454467 822477464 /nfs/dbraw/zinc/47/74/64/822477464.db2.gz DZSHGCOTKLWEHF-IBGZPJMESA-N 1 0 389.565 4.171 20 0 GIADRO CC[C@@H](C)N(CC[C@@H]1CCC[N@@H+]1C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000179401784 822477511 /nfs/dbraw/zinc/47/75/11/822477511.db2.gz BZGFDTMGOZAKST-CVEARBPZSA-N 1 0 385.474 4.229 20 0 GIADRO Cc1ccc(Cc2nc(C(=O)N3CCC[N@@H+](C4CCCC4)CC3)cs2)cc1 ZINC000179402523 822477771 /nfs/dbraw/zinc/47/77/71/822477771.db2.gz XDACYVRRNFFADP-UHFFFAOYSA-N 1 0 383.561 4.133 20 0 GIADRO CCCCNC(=O)c1ccc(C[NH2+]Cc2cn(C)nc2C2CCCCC2)cc1 ZINC000183458923 822478126 /nfs/dbraw/zinc/47/81/26/822478126.db2.gz PHKOUIJBIWMKKB-UHFFFAOYSA-N 1 0 382.552 4.288 20 0 GIADRO Cc1cccc(OC(F)F)c1NC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183464521 822478948 /nfs/dbraw/zinc/47/89/48/822478948.db2.gz UQDFHZRQROFSBL-HUUCEWRRSA-N 1 0 381.467 4.371 20 0 GIADRO Cc1cc2ncc([C@@H](C)[NH2+]CCOc3cccc(C(F)(F)F)c3)c(C)n2n1 ZINC000179412330 822479128 /nfs/dbraw/zinc/47/91/28/822479128.db2.gz TYWZTLIPSFSLBK-CYBMUJFWSA-N 1 0 378.398 4.095 20 0 GIADRO C[C@H](NC(=O)OC(C)(C)C)C1CC[NH+](Cc2cnn(Cc3ccccc3)c2)CC1 ZINC000179426296 822480731 /nfs/dbraw/zinc/48/07/31/822480731.db2.gz ONRJOMJVEJUPON-SFHVURJKSA-N 1 0 398.551 4.057 20 0 GIADRO Cc1cc2ncc([C@H](C)[NH2+]Cc3ccnc(O[C@@H](C)CC(C)C)c3)c(C)n2n1 ZINC000179427732 822481026 /nfs/dbraw/zinc/48/10/26/822481026.db2.gz AGQDKCBICQJFLE-IRXDYDNUSA-N 1 0 381.524 4.405 20 0 GIADRO Cc1cc2ncc([C@H](C)NC3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)c(C)n2n1 ZINC000179428138 822481266 /nfs/dbraw/zinc/48/12/66/822481266.db2.gz NQKGKXJWFYBHQX-IRFPFTSISA-N 1 0 389.547 4.192 20 0 GIADRO C[C@H](NC(=O)Nc1ccc(N(C)C)c(Cl)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183475406 822481339 /nfs/dbraw/zinc/48/13/39/822481339.db2.gz ZDDJHTVALQQIRT-GJZGRUSLSA-N 1 0 378.948 4.181 20 0 GIADRO Cc1cc2ncc([C@@H](C)[NH2+]C[C@H](O)c3cc(Cl)cc(Cl)c3)c(C)n2n1 ZINC000179432659 822481748 /nfs/dbraw/zinc/48/17/48/822481748.db2.gz IURHYBUKONQJKQ-DIFFPNOSSA-N 1 0 379.291 4.037 20 0 GIADRO Cc1cc(C(=O)NC2CC[NH+](C(C)C)CC2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000183483337 822483196 /nfs/dbraw/zinc/48/31/96/822483196.db2.gz YRCARIWMPHKJAQ-UHFFFAOYSA-N 1 0 395.334 4.090 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@@H](C)c1nc2c(s1)CCCC2 ZINC000179441218 822483341 /nfs/dbraw/zinc/48/33/41/822483341.db2.gz BNXJAPYURXGQES-LBPRGKRZSA-N 1 0 393.940 4.363 20 0 GIADRO COc1ccc([C@H](CNC(=O)C2(c3ccc(F)cc3)CC2)[NH+]2CCCCC2)cc1 ZINC000046543855 822484658 /nfs/dbraw/zinc/48/46/58/822484658.db2.gz WIKYFRLEZOBRDW-QFIPXVFZSA-N 1 0 396.506 4.209 20 0 GIADRO O=C(N[C@@H]1CCc2c1ccc(Cl)c2Cl)NC1CC[NH+](C2CCC2)CC1 ZINC000454496184 822484942 /nfs/dbraw/zinc/48/49/42/822484942.db2.gz MHTBSCPIYLWVPF-QGZVFWFLSA-N 1 0 382.335 4.297 20 0 GIADRO Cc1csc([C@H](C)CNC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)n1 ZINC000183493507 822485190 /nfs/dbraw/zinc/48/51/90/822485190.db2.gz MXQQQNFFUMIMBZ-NVXWUHKLSA-N 1 0 386.565 4.080 20 0 GIADRO CCC(=O)Nc1ccc(NC(=O)N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)cc1 ZINC000454502041 822485854 /nfs/dbraw/zinc/48/58/54/822485854.db2.gz YTELESDPBWHANT-UHFFFAOYSA-N 1 0 388.556 4.399 20 0 GIADRO COC(=O)c1cc2cc(C[NH2+][C@@H](C)c3cc(OC)c(OC)cc3F)ccc2o1 ZINC000183497564 822486091 /nfs/dbraw/zinc/48/60/91/822486091.db2.gz SHWUGVAAQBGECN-LBPRGKRZSA-N 1 0 387.407 4.227 20 0 GIADRO CO[C@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)CC1(C)C ZINC000454503559 822486211 /nfs/dbraw/zinc/48/62/11/822486211.db2.gz FOLILSFAGYURQJ-NRFANRHFSA-N 1 0 387.568 4.019 20 0 GIADRO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)[NH2+][C@@H](C)c1nccs1 ZINC000183500414 822486741 /nfs/dbraw/zinc/48/67/41/822486741.db2.gz RSCQAVHCJFAECO-JQWIXIFHSA-N 1 0 395.550 4.066 20 0 GIADRO CCOc1cc(C)ccc1NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000454508609 822487154 /nfs/dbraw/zinc/48/71/54/822487154.db2.gz YGYJSHQQEYHQQR-UHFFFAOYSA-N 1 0 387.446 4.274 20 0 GIADRO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1cccc(Br)c1Cl ZINC000183504655 822487180 /nfs/dbraw/zinc/48/71/80/822487180.db2.gz ZIPJFJNTSXQKFC-UHFFFAOYSA-N 1 0 399.760 4.487 20 0 GIADRO C[N@@H+]1CC[C@H](NC(=O)N2CCCCC[C@@H]2c2ccncc2)[C@@H]1c1ccccc1 ZINC000179472786 822487707 /nfs/dbraw/zinc/48/77/07/822487707.db2.gz UMEFLUIGVRHSNH-BDTNDASRSA-N 1 0 378.520 4.154 20 0 GIADRO CC1CC[NH+](Cc2ccc(CNC(=O)Cc3c[nH]c4ccccc34)cc2)CC1 ZINC000046577027 822487701 /nfs/dbraw/zinc/48/77/01/822487701.db2.gz DOAMZGBVIFAGTK-UHFFFAOYSA-N 1 0 375.516 4.259 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)cc1NC(C)=O ZINC000183513878 822488665 /nfs/dbraw/zinc/48/86/65/822488665.db2.gz KEKSIPRBZCEGMZ-WMHILYHISA-N 1 0 388.895 4.488 20 0 GIADRO Cc1c([C@H](C)[NH2+]C[C@H](C)c2nc(-c3ccccc3)no2)cnn1-c1ccccn1 ZINC000179479744 822488746 /nfs/dbraw/zinc/48/87/46/822488746.db2.gz NJSJUXBALRNIHU-HOTGVXAUSA-N 1 0 388.475 4.080 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000183516983 822488835 /nfs/dbraw/zinc/48/88/35/822488835.db2.gz ULRPOGUJBAAACF-OEPMTFCVSA-N 1 0 397.899 4.063 20 0 GIADRO C[C@@H](NC(=O)Nc1cc(F)ccc1Br)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183516972 822488847 /nfs/dbraw/zinc/48/88/47/822488847.db2.gz SZTJWVFBIPJUCB-OLZOCXBDSA-N 1 0 398.320 4.363 20 0 GIADRO COc1ccccc1[C@H](N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccccn1 ZINC000179483209 822489345 /nfs/dbraw/zinc/48/93/45/822489345.db2.gz FVBUXWXMPGBYJD-QXWFJRNPSA-N 1 0 387.527 4.290 20 0 GIADRO C[C@H]([NH2+]C[C@H]1C[C@H](O)CN1Cc1ccccc1)c1cccc(-c2ccncc2)c1 ZINC000179486563 822489824 /nfs/dbraw/zinc/48/98/24/822489824.db2.gz RFXHSGLKZXBDFX-OWAUWMPXSA-N 1 0 387.527 4.035 20 0 GIADRO C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1)c1ccc(N2CCOC2=O)cc1 ZINC000179493897 822490492 /nfs/dbraw/zinc/49/04/92/822490492.db2.gz VLWQYFRNYLYYDB-ONGXBYRLSA-N 1 0 399.922 4.393 20 0 GIADRO Cc1csc([C@H]([NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)C2CC2)n1 ZINC000183530829 822490654 /nfs/dbraw/zinc/49/06/54/822490654.db2.gz YTJXOHKAHYBQTF-IUODEOHRSA-N 1 0 387.332 4.239 20 0 GIADRO CC[C@H](NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1F ZINC000179494660 822490798 /nfs/dbraw/zinc/49/07/98/822490798.db2.gz FMQZWISIAWGKPY-FQEVSTJZSA-N 1 0 388.462 4.027 20 0 GIADRO CC(C)Oc1ccc([C@@H](C)NC(=O)N2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000179496976 822491152 /nfs/dbraw/zinc/49/11/52/822491152.db2.gz JOPKAAKUKDJZFL-GOSISDBHSA-N 1 0 375.557 4.298 20 0 GIADRO COc1ccc(C[C@@H](C)C[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)cc1OC ZINC000179507878 822493127 /nfs/dbraw/zinc/49/31/27/822493127.db2.gz XVSVDNDZBKOCIS-SJORKVTESA-N 1 0 398.503 4.190 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)Cc2noc3ccccc23)cc1 ZINC000046615622 822493202 /nfs/dbraw/zinc/49/32/02/822493202.db2.gz OKWXMQZUYPEOAZ-KRWDZBQOSA-N 1 0 377.488 4.061 20 0 GIADRO Cc1c2ccccc2oc1[C@H](C)[NH2+]CC(=O)NCCc1nc2ccccc2s1 ZINC000183552636 822493835 /nfs/dbraw/zinc/49/38/35/822493835.db2.gz UKWCNORFYLHMLJ-HNNXBMFYSA-N 1 0 393.512 4.360 20 0 GIADRO COc1ccccc1OC[C@@H](C)C[NH2+][C@@H](C)c1ncc(Br)s1 ZINC000179512816 822493964 /nfs/dbraw/zinc/49/39/64/822493964.db2.gz AWRBUGZUFNSIPO-RYUDHWBXSA-N 1 0 385.327 4.280 20 0 GIADRO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H](C)c1ccccc1C(F)(F)F ZINC000179514323 822494414 /nfs/dbraw/zinc/49/44/14/822494414.db2.gz AVFPIMWLVSWFGY-KGLIPLIRSA-N 1 0 375.394 4.155 20 0 GIADRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C[C@@H](O)c2cc3ccccc3s2)CC1 ZINC000183556800 822494448 /nfs/dbraw/zinc/49/44/48/822494448.db2.gz QVCGZFPGSNJKAU-DLBZAZTESA-N 1 0 390.549 4.314 20 0 GIADRO c1ccc(COc2ccc(C[N@@H+]3CCC[C@@H](c4nnc(C5CC5)[nH]4)C3)cc2)nc1 ZINC000179515669 822494900 /nfs/dbraw/zinc/49/49/00/822494900.db2.gz XPBZMMHTLUEOND-LJQANCHMSA-N 1 0 389.503 4.036 20 0 GIADRO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@H](C)c1ccc(SC(F)F)cc1 ZINC000179516898 822494998 /nfs/dbraw/zinc/49/49/98/822494998.db2.gz SUZQRZXRRBAGTP-ZIAGYGMSSA-N 1 0 389.471 4.451 20 0 GIADRO Cc1nc2c(s1)[C@@H]([NH2+][C@H]1CCN(c3ccc(Cl)c(F)c3)C1=O)CCC2 ZINC000179520285 822495992 /nfs/dbraw/zinc/49/59/92/822495992.db2.gz OZHIRPAWVLQQRS-HOTGVXAUSA-N 1 0 379.888 4.017 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)C[NH2+][C@H](C)c1ccc(OC(C)C)cc1 ZINC000179526570 822497183 /nfs/dbraw/zinc/49/71/83/822497183.db2.gz WZWRMTSDLKCGIC-CQSZACIVSA-N 1 0 376.884 4.425 20 0 GIADRO O=C(NCCCCC[NH+]1CCCC1)Nc1ccccc1OC[C@H]1CCCCO1 ZINC000454566903 822497872 /nfs/dbraw/zinc/49/78/72/822497872.db2.gz AGPZXHSWCKGUCX-LJQANCHMSA-N 1 0 389.540 4.022 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)c1ccccc1C(F)(F)F)c1cccc(-n2cccn2)c1 ZINC000183592967 822498656 /nfs/dbraw/zinc/49/86/56/822498656.db2.gz YSZDCGXRFFGTBH-LIRRHRJNSA-N 1 0 375.394 4.275 20 0 GIADRO COC[C@@H](O)CC[NH2+][C@H](C)c1ccc(-c2ccccc2Br)s1 ZINC000179537695 822499489 /nfs/dbraw/zinc/49/94/89/822499489.db2.gz ZWWKVZHBNJIOTJ-OLZOCXBDSA-N 1 0 384.339 4.226 20 0 GIADRO CSc1ccc([C@H](CNC(=O)Nc2cccc(N3CCCC3)c2)[NH+](C)C)cc1 ZINC000454595391 822503137 /nfs/dbraw/zinc/50/31/37/822503137.db2.gz BAOFFQYYSQFCOJ-NRFANRHFSA-N 1 0 398.576 4.433 20 0 GIADRO CC(C)CN(C(=O)c1cc(Oc2ccccc2)ccc1O)C1CC[NH+](C)CC1 ZINC000179568679 822504937 /nfs/dbraw/zinc/50/49/37/822504937.db2.gz BDLHCXCXOHSXHA-UHFFFAOYSA-N 1 0 382.504 4.377 20 0 GIADRO CC(C)([NH2+]CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1)c1cccc(F)c1 ZINC000179575669 822505937 /nfs/dbraw/zinc/50/59/37/822505937.db2.gz JQAPSYSZBRNAJQ-SFHVURJKSA-N 1 0 395.434 4.214 20 0 GIADRO COc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000179577149 822506158 /nfs/dbraw/zinc/50/61/58/822506158.db2.gz FIIWJPKJAZYBAW-ILXRZTDVSA-N 1 0 392.446 4.213 20 0 GIADRO COCCn1ccc2ccc(NC(=O)N[C@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)cc21 ZINC000183652014 822506341 /nfs/dbraw/zinc/50/63/41/822506341.db2.gz YOOOQRGWMRNZBO-MJGOQNOKSA-N 1 0 398.551 4.062 20 0 GIADRO O=C(NC1CC[NH+](C2CCCC2)CC1)N[C@H]1CCCC[C@H]1CC(F)(F)F ZINC000454614926 822506578 /nfs/dbraw/zinc/50/65/78/822506578.db2.gz LGVFZWGYYWOKTC-YOEHRIQHSA-N 1 0 375.479 4.204 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N1CCSc2ccccc21)c1cccc(OC(F)F)c1 ZINC000179580269 822506637 /nfs/dbraw/zinc/50/66/37/822506637.db2.gz ZRCKRAADDOLWKU-CYBMUJFWSA-N 1 0 378.444 4.078 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C)c1 ZINC000046706504 822507482 /nfs/dbraw/zinc/50/74/82/822507482.db2.gz FJNIBPKFWOONRR-UHFFFAOYSA-N 1 0 380.467 4.414 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)COCc2nc3ccccc3s2)c1 ZINC000046706541 822507502 /nfs/dbraw/zinc/50/75/02/822507502.db2.gz BZCUNOQRNHWQSL-UHFFFAOYSA-N 1 0 383.517 4.293 20 0 GIADRO Cc1nc2c(s1)[C@H]([NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1)CCC2 ZINC000179587092 822507519 /nfs/dbraw/zinc/50/75/19/822507519.db2.gz DYOBEENLFLWBAL-JFIYKMOQSA-N 1 0 375.925 4.044 20 0 GIADRO COc1ccccc1C[N@H+](C)Cc1ccc(OC)c(OCc2cccnc2)c1 ZINC000179589255 822507881 /nfs/dbraw/zinc/50/78/81/822507881.db2.gz AWAGHPIHYUNHQW-UHFFFAOYSA-N 1 0 378.472 4.310 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1)c1cccc(OC(F)F)c1 ZINC000179588781 822507898 /nfs/dbraw/zinc/50/78/98/822507898.db2.gz GBVPRIRTIANDHQ-CHWSQXEVSA-N 1 0 398.400 4.436 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1)c1cccc(OC(F)F)c1 ZINC000179588758 822507900 /nfs/dbraw/zinc/50/79/00/822507900.db2.gz GBVPRIRTIANDHQ-OLZOCXBDSA-N 1 0 398.400 4.436 20 0 GIADRO CCOc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000179593488 822508920 /nfs/dbraw/zinc/50/89/20/822508920.db2.gz COMQWKZCZRVITL-UONOGXRCSA-N 1 0 378.419 4.365 20 0 GIADRO COc1cc(F)cc(C[NH2+][C@H](C)CC(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000179595759 822509386 /nfs/dbraw/zinc/50/93/86/822509386.db2.gz SBXZVOSRSUWLGU-GFCCVEGCSA-N 1 0 384.373 4.360 20 0 GIADRO CC(=O)c1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000179598167 822509851 /nfs/dbraw/zinc/50/98/51/822509851.db2.gz FXTLHOURNJKSNG-QWHCGFSZSA-N 1 0 376.403 4.168 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)[NH2+]CC(=O)Nc2c(C)cccc2Cl)cc1 ZINC000183678829 822510021 /nfs/dbraw/zinc/51/00/21/822510021.db2.gz YXQOGEVXBQEXHY-HNNXBMFYSA-N 1 0 382.895 4.432 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(C)cc2F)cc1 ZINC000183682289 822510404 /nfs/dbraw/zinc/51/04/04/822510404.db2.gz QKVDQGOUZDMJSA-JKSUJKDBSA-N 1 0 380.467 4.306 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]Cc2cc(=O)oc3c(C)c(O)ccc23)cc1 ZINC000183680726 822510460 /nfs/dbraw/zinc/51/04/60/822510460.db2.gz XDJZFSBZHXVNBV-OAHLLOKOSA-N 1 0 389.455 4.152 20 0 GIADRO CCc1nc2c(s1)[C@H]([NH2+][C@@H](CC(C)C)C(=O)Nc1nccs1)CCC2 ZINC000179601572 822510711 /nfs/dbraw/zinc/51/07/11/822510711.db2.gz PZJPVMJJSZIWAC-OCCSQVGLSA-N 1 0 378.567 4.182 20 0 GIADRO CCc1nc2c(s1)[C@@H]([NH2+][C@H](CC(C)C)C(=O)Nc1nccs1)CCC2 ZINC000179601609 822510779 /nfs/dbraw/zinc/51/07/79/822510779.db2.gz PZJPVMJJSZIWAC-GXTWGEPZSA-N 1 0 378.567 4.182 20 0 GIADRO Cc1ccc(S(=O)(=O)CCC[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)cc1 ZINC000179603356 822510930 /nfs/dbraw/zinc/51/09/30/822510930.db2.gz QJUBQJYJWMWPPA-HNNXBMFYSA-N 1 0 383.460 4.111 20 0 GIADRO C[C@@H](Nc1ccccc1N1CC[NH+](CCc2ccncc2)CC1)c1ccccn1 ZINC000179604385 822511115 /nfs/dbraw/zinc/51/11/15/822511115.db2.gz MNYJSADQLXTOLY-HXUWFJFHSA-N 1 0 387.531 4.014 20 0 GIADRO Cc1nn(-c2ccccc2)cc1NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000183691304 822512343 /nfs/dbraw/zinc/51/23/43/822512343.db2.gz VTPFNRUUHIOQET-HXUWFJFHSA-N 1 0 395.551 4.301 20 0 GIADRO O=C(Nc1ccccc1)C1CC[NH+](Cc2c(C3CC3)nc3sccn23)CC1 ZINC000179611088 822512388 /nfs/dbraw/zinc/51/23/88/822512388.db2.gz ZNVPKUIMLRXJJW-UHFFFAOYSA-N 1 0 380.517 4.124 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[NH2+][C@H](c2ccccc2Cl)C(C)C)c1 ZINC000183695346 822512999 /nfs/dbraw/zinc/51/29/99/822512999.db2.gz OGUGJWHPWGIJQS-FQEVSTJZSA-N 1 0 376.884 4.283 20 0 GIADRO CCN1CC[NH+](CCCCNC(=O)Nc2cccc(Oc3ccccc3)c2)CC1 ZINC000046754630 822513458 /nfs/dbraw/zinc/51/34/58/822513458.db2.gz GTPLLCCMPSOKLT-UHFFFAOYSA-N 1 0 396.535 4.018 20 0 GIADRO CCNC(=O)c1cccc(NC(=O)C[NH2+][C@H](c2ccccc2Cl)C(C)C)c1 ZINC000183702614 822514100 /nfs/dbraw/zinc/51/41/00/822514100.db2.gz MAGKIYKMOHGZSC-FQEVSTJZSA-N 1 0 387.911 4.015 20 0 GIADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N(C)Cc2ccc(OC(F)F)cc2)C1 ZINC000046762376 822514467 /nfs/dbraw/zinc/51/44/67/822514467.db2.gz BZNLTSKKXNNZKQ-IAGOWNOFSA-N 1 0 397.510 4.188 20 0 GIADRO Clc1cccc(N2CCCC2)c1C[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000179623616 822514552 /nfs/dbraw/zinc/51/45/52/822514552.db2.gz SURODHKWSLIXMK-KRWDZBQOSA-N 1 0 395.938 4.363 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]C[C@H](O)COCc1cccs1 ZINC000183714822 822515806 /nfs/dbraw/zinc/51/58/06/822515806.db2.gz UFIHWMFDHKPVNX-YOEHRIQHSA-N 1 0 388.558 4.408 20 0 GIADRO COc1cc(NC(=O)C[NH2+][C@@H](C)c2cccc(C)c2C)c(OC)cc1Cl ZINC000183716212 822515999 /nfs/dbraw/zinc/51/59/99/822515999.db2.gz WOAPSWIHLZVLPO-AWEZNQCLSA-N 1 0 376.884 4.263 20 0 GIADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3cccc(-c4ccc5c(c4)CCO5)c3)CC[C@@H]21 ZINC000179631805 822516406 /nfs/dbraw/zinc/51/64/06/822516406.db2.gz RBNSUHNMLKMJTM-IRLDBZIGSA-N 1 0 391.515 4.237 20 0 GIADRO CN(C(=O)Nc1ccc2scnc2c1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000454684347 822516929 /nfs/dbraw/zinc/51/69/29/822516929.db2.gz UFZBROOHERUPOP-UHFFFAOYSA-N 1 0 386.443 4.177 20 0 GIADRO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000183725497 822517292 /nfs/dbraw/zinc/51/72/92/822517292.db2.gz SPCYBJWUJBFKRY-IAQYHMDHSA-N 1 0 393.409 4.024 20 0 GIADRO C[C@H](c1cccnc1)[N@H+](C)Cc1cc(Br)c2c(c1)OCCCO2 ZINC000183727015 822517504 /nfs/dbraw/zinc/51/75/04/822517504.db2.gz YQSXNBUPWICPBQ-CYBMUJFWSA-N 1 0 377.282 4.198 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(N2CCOC2=O)cc1)c1ccc(F)cc1OC(F)F ZINC000183739170 822519644 /nfs/dbraw/zinc/51/96/44/822519644.db2.gz PZCWWGXUFOZZRI-GFCCVEGCSA-N 1 0 380.366 4.235 20 0 GIADRO C[NH+](C)CCOc1ccc(NCc2cncc(Br)c2)cc1Cl ZINC000183740607 822520204 /nfs/dbraw/zinc/52/02/04/822520204.db2.gz KQLCDVIOTRXZKH-UHFFFAOYSA-N 1 0 384.705 4.050 20 0 GIADRO Cc1nn(-c2ccccc2)cc1NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000183741780 822520318 /nfs/dbraw/zinc/52/03/18/822520318.db2.gz VLAJIBNYMCXOMX-UHFFFAOYSA-N 1 0 395.551 4.345 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)N[C@@H]2CCO[C@H](C(CC)CC)C2)CC1 ZINC000183751472 822522174 /nfs/dbraw/zinc/52/21/74/822522174.db2.gz QXUSEXQXLPTHBE-RTWAWAEBSA-N 1 0 381.605 4.124 20 0 GIADRO CCN(Cc1nnc(-c2ccccc2Cl)o1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000183752138 822522462 /nfs/dbraw/zinc/52/24/62/822522462.db2.gz MDBLTJAZZQHYFR-GOSISDBHSA-N 1 0 396.922 4.486 20 0 GIADRO O=C(CCC[NH2+][C@H](c1ccccc1)c1ccc(F)cn1)N1CCc2ccccc21 ZINC000183757070 822523253 /nfs/dbraw/zinc/52/32/53/822523253.db2.gz DDMRSXWTWNZEFB-XMMPIXPASA-N 1 0 389.474 4.269 20 0 GIADRO COc1ccc([C@H](Cc2ccccc2C)[NH2+]CCCn2ccnc2)cc1OC ZINC000179668706 822523580 /nfs/dbraw/zinc/52/35/80/822523580.db2.gz XMEDDWDUVSMOCC-NRFANRHFSA-N 1 0 379.504 4.172 20 0 GIADRO Cc1ccc(C(=O)CC(C)(C)CC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000183763184 822524529 /nfs/dbraw/zinc/52/45/29/822524529.db2.gz JBYQCWYMWPOVGN-HXUWFJFHSA-N 1 0 384.564 4.319 20 0 GIADRO CCN(CC)C(=O)c1cccc(NC(=O)C[NH2+]C2(c3cccc(Cl)c3)CC2)c1 ZINC000179674078 822524574 /nfs/dbraw/zinc/52/45/74/822524574.db2.gz SZJSNUMLTMIYNX-UHFFFAOYSA-N 1 0 399.922 4.039 20 0 GIADRO CC(C)(C)OC(=O)NC[C@@H]([NH2+]CCCn1ccnc1)c1ccc2ccccc2c1 ZINC000179675077 822524753 /nfs/dbraw/zinc/52/47/53/822524753.db2.gz DRAKPHOOTIPBRS-OAQYLSRUSA-N 1 0 394.519 4.282 20 0 GIADRO Cc1ccc(NCc2ccccc2OC(F)(F)F)cc1NC(=O)CC[NH+](C)C ZINC000183777711 822527184 /nfs/dbraw/zinc/52/71/84/822527184.db2.gz LESAGXUQIZUMDP-UHFFFAOYSA-N 1 0 395.425 4.396 20 0 GIADRO COC(=O)c1ccc(C[NH2+][C@H](C)c2cccc(OCc3ccccn3)c2)cc1F ZINC000179687446 822527615 /nfs/dbraw/zinc/52/76/15/822527615.db2.gz NAWJVQBABCYYDF-MRXNPFEDSA-N 1 0 394.446 4.437 20 0 GIADRO COc1cc([C@@H](C)[NH2+]C[C@H](O)c2ccc(C)cc2)ccc1OCc1ccncc1 ZINC000179699635 822530169 /nfs/dbraw/zinc/53/01/69/822530169.db2.gz ZAOTVGKNMFYHEZ-GCJKJVERSA-N 1 0 392.499 4.362 20 0 GIADRO CC(F)(F)CCCNC(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000454775322 822531476 /nfs/dbraw/zinc/53/14/76/822531476.db2.gz YAXCFHVSIDRIOQ-UHFFFAOYSA-N 1 0 396.482 4.058 20 0 GIADRO CCCn1nc(C)c(C[NH2+]Cc2cc3cc(Br)ccc3[nH]2)c1C ZINC000183825102 822532645 /nfs/dbraw/zinc/53/26/45/822532645.db2.gz JLXJAQFKGMRQRC-UHFFFAOYSA-N 1 0 375.314 4.444 20 0 GIADRO Cc1ccc(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)cc1NC(=O)c1ccco1 ZINC000046948844 822533489 /nfs/dbraw/zinc/53/34/89/822533489.db2.gz LRKKWGAODXPGBT-FQEVSTJZSA-N 1 0 397.519 4.081 20 0 GIADRO C[N@H+](CCCCNC(=O)Nc1ccc(Cl)cc1OCC(F)(F)F)C1CC1 ZINC000454786273 822533828 /nfs/dbraw/zinc/53/38/28/822533828.db2.gz MANZFIPFHFENRM-UHFFFAOYSA-N 1 0 393.837 4.277 20 0 GIADRO CC[C@@H]([NH2+]CC(=O)N1CCC[C@@H](C(F)(F)F)C1)c1ccccc1OC(F)F ZINC000179722210 822535094 /nfs/dbraw/zinc/53/50/94/822535094.db2.gz JUTQUMOJSYAPJT-TZMCWYRMSA-N 1 0 394.384 4.130 20 0 GIADRO CC[C@H]([NH2+]CC(=O)N[C@@H](C)c1ccccc1OC)c1ccccc1OC(F)F ZINC000179722390 822535154 /nfs/dbraw/zinc/53/51/54/822535154.db2.gz PGYINJNBPMTQOF-YOEHRIQHSA-N 1 0 392.446 4.215 20 0 GIADRO COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+]Cc1ncc(C(C)C)s1 ZINC000183851681 822535898 /nfs/dbraw/zinc/53/58/98/822535898.db2.gz CQNHUYYJGJAEEN-UHFFFAOYSA-N 1 0 381.929 4.355 20 0 GIADRO Cc1ccc(-c2cnc(CCC(=O)NCCCC[N@H+]3CCCC[C@H]3C)o2)cc1 ZINC000046989773 822536109 /nfs/dbraw/zinc/53/61/09/822536109.db2.gz FFQBUVBJTQRCBO-LJQANCHMSA-N 1 0 383.536 4.353 20 0 GIADRO Cc1sc(NC(=O)C[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)c(C)c1C ZINC000179732287 822537445 /nfs/dbraw/zinc/53/74/45/822537445.db2.gz WCEMDHGRHMUNLO-FQEVSTJZSA-N 1 0 386.517 4.124 20 0 GIADRO Cc1noc(C)c1COc1cccc(C(=O)NCCCC[NH+]2CCC(C)CC2)c1 ZINC000047015915 822537871 /nfs/dbraw/zinc/53/78/71/822537871.db2.gz IAMDWNSGYPWNMG-UHFFFAOYSA-N 1 0 399.535 4.112 20 0 GIADRO CC1([C@H]2CCC[N@H+](Cc3coc(-c4ccc(C(F)(F)F)cc4)n3)C2)OCCO1 ZINC000183865575 822538065 /nfs/dbraw/zinc/53/80/65/822538065.db2.gz JMPATPQGSSAWSK-INIZCTEOSA-N 1 0 396.409 4.335 20 0 GIADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[NH2+][C@@H](CCCO)c1ccccc1 ZINC000179734494 822538289 /nfs/dbraw/zinc/53/82/89/822538289.db2.gz HRBHZTPXCJGFQB-IBGZPJMESA-N 1 0 395.330 4.055 20 0 GIADRO C[C@@H](CCNC(=O)Nc1cccc(-c2noc(C3CC3)n2)c1)[NH+]1CCCCC1 ZINC000183880524 822539751 /nfs/dbraw/zinc/53/97/51/822539751.db2.gz KJURXLJHIJJCDG-HNNXBMFYSA-N 1 0 383.496 4.000 20 0 GIADRO C[C@@H]1CCN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)[C@H](c2ccco2)C1 ZINC000179743229 822540933 /nfs/dbraw/zinc/54/09/33/822540933.db2.gz SSRUXOVBHYHUMX-XLIONFOSSA-N 1 0 382.508 4.074 20 0 GIADRO Cc1cc(C)c(CC(=O)N[C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)c(C)c1 ZINC000179743650 822541173 /nfs/dbraw/zinc/54/11/73/822541173.db2.gz INIWDMAONKIMSD-JOCHJYFZSA-N 1 0 392.543 4.259 20 0 GIADRO Cc1ccc([C@H]2CCCCN2C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000179745484 822541567 /nfs/dbraw/zinc/54/15/67/822541567.db2.gz VEZQISZSOJZKPX-HXUWFJFHSA-N 1 0 382.508 4.136 20 0 GIADRO CCc1noc(C2CCC([NH2+]CCOc3ccc(Br)cc3)CC2)n1 ZINC000183895224 822542064 /nfs/dbraw/zinc/54/20/64/822542064.db2.gz FWAAIFPVBAWANR-UHFFFAOYSA-N 1 0 394.313 4.089 20 0 GIADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)Nc3cc(F)ccc3SCC(F)F)C2)C1 ZINC000454830884 822542329 /nfs/dbraw/zinc/54/23/29/822542329.db2.gz KZKLFYSCECZLBD-GOSISDBHSA-N 1 0 387.471 4.133 20 0 GIADRO C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000179751781 822542923 /nfs/dbraw/zinc/54/29/23/822542923.db2.gz GGVSXHRRIDXGDJ-VGSWGCGISA-N 1 0 396.510 4.230 20 0 GIADRO Cc1cccc(C)c1NC(=O)[C@@H](C)[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179756052 822544094 /nfs/dbraw/zinc/54/40/94/822544094.db2.gz YXZDDGIRNLVQJB-ZHRRBRCNSA-N 1 0 380.488 4.143 20 0 GIADRO CC[C@H](Cc1ccccc1)N(CC)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179757835 822544419 /nfs/dbraw/zinc/54/44/19/822544419.db2.gz IAJOPLKPEHKSGW-JOCHJYFZSA-N 1 0 394.563 4.351 20 0 GIADRO CC(C)(NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1cccc(Cl)c1 ZINC000179757378 822544468 /nfs/dbraw/zinc/54/44/68/822544468.db2.gz VFXRBYXCRYGNLV-UHFFFAOYSA-N 1 0 386.927 4.186 20 0 GIADRO Cc1ccc(NC(=O)NC(C)(C)CCC[NH+](C)C)cc1OCC1CCOCC1 ZINC000454844165 822544525 /nfs/dbraw/zinc/54/45/25/822544525.db2.gz CVRMFVDAIDQIDT-UHFFFAOYSA-N 1 0 391.556 4.042 20 0 GIADRO Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000179760847 822545364 /nfs/dbraw/zinc/54/53/64/822545364.db2.gz ORVQFROJTINDNA-UTKZUKDTSA-N 1 0 396.535 4.382 20 0 GIADRO CC(C)N(Cc1ccccc1)C(=O)C[NH2+][C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000179760640 822545382 /nfs/dbraw/zinc/54/53/82/822545382.db2.gz AYCBGNXGDVSMBK-GOSISDBHSA-N 1 0 393.531 4.123 20 0 GIADRO O=C(N[C@@H](c1ccccc1)c1ccc(F)cc1)N1CCC([NH+]2CCCC2)CC1 ZINC000047118012 822545458 /nfs/dbraw/zinc/54/54/58/822545458.db2.gz AAUZXHLYLDSLQU-QFIPXVFZSA-N 1 0 381.495 4.185 20 0 GIADRO CC(C)CNC(=O)c1cccc(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)c1 ZINC000179761166 822545556 /nfs/dbraw/zinc/54/55/56/822545556.db2.gz GTFQPLWOOGNKQL-QHCPKHFHSA-N 1 0 394.515 4.085 20 0 GIADRO CC(C)c1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000179764009 822546935 /nfs/dbraw/zinc/54/69/35/822546935.db2.gz YNDVAIIFLPEOCR-INIZCTEOSA-N 1 0 379.504 4.448 20 0 GIADRO Cc1cc(C)c([C@H](C)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)cc1C ZINC000179765324 822547209 /nfs/dbraw/zinc/54/72/09/822547209.db2.gz OXFNNAFXRVUSLE-IBGZPJMESA-N 1 0 379.548 4.482 20 0 GIADRO CC(C)=CCC[C@@H](C)NC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000454865809 822548366 /nfs/dbraw/zinc/54/83/66/822548366.db2.gz DNBZXOFXUJGLRA-ODIFPOPNSA-N 1 0 375.479 4.226 20 0 GIADRO C[C@@H](Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)c1ccc2c(c1)CCC2 ZINC000179768156 822548431 /nfs/dbraw/zinc/54/84/31/822548431.db2.gz YRHAXRSWHYCRTO-QGZVFWFLSA-N 1 0 377.532 4.046 20 0 GIADRO O=C(NCCc1cccc(Cl)c1Cl)N1CCC(C[NH+]2CCCC2)CC1 ZINC000047157492 822548977 /nfs/dbraw/zinc/54/89/77/822548977.db2.gz QEINMUNNMXBYLJ-UHFFFAOYSA-N 1 0 384.351 4.053 20 0 GIADRO C[C@@H]([NH2+]CCCc1nc(-c2ccccc2)no1)c1ccc(NC(=O)C2CC2)cc1 ZINC000179770935 822549181 /nfs/dbraw/zinc/54/91/81/822549181.db2.gz IAPIBRZBMINVFB-MRXNPFEDSA-N 1 0 390.487 4.369 20 0 GIADRO Cc1cccc2c1[C@H](C)C[C@H]2Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000179772446 822549645 /nfs/dbraw/zinc/54/96/45/822549645.db2.gz TYKIERZHMOZNMN-VGOFRKELSA-N 1 0 377.532 4.353 20 0 GIADRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000454879749 822550178 /nfs/dbraw/zinc/55/01/78/822550178.db2.gz ZHNFKACVKGIGBZ-CTNGQTDRSA-N 1 0 379.504 4.038 20 0 GIADRO Cc1ccc([C@H](Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)C2CC2)cc1 ZINC000179775267 822550199 /nfs/dbraw/zinc/55/01/99/822550199.db2.gz FTGMDSNVPRLEQX-QHCPKHFHSA-N 1 0 377.532 4.256 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(F)cc1Cl)c1ccc(NC(=O)C2CC2)cc1 ZINC000179775303 822550221 /nfs/dbraw/zinc/55/02/21/822550221.db2.gz XYRYMDXWEWWOHN-GFCCVEGCSA-N 1 0 389.858 4.117 20 0 GIADRO NC(=O)C1CC[NH+](Cc2cccc(N[C@H]3CCCCc4ccccc43)c2)CC1 ZINC000179774612 822550253 /nfs/dbraw/zinc/55/02/53/822550253.db2.gz QTTIPDKGVUTNNG-QHCPKHFHSA-N 1 0 377.532 4.264 20 0 GIADRO C[C@H]([NH2+]CC(=O)N1c2ccccc2CC[C@H]1C)c1ccc(NC(=O)C2CC2)cc1 ZINC000179776137 822550645 /nfs/dbraw/zinc/55/06/45/822550645.db2.gz PPZRLXXMKOHGHB-SJORKVTESA-N 1 0 391.515 4.054 20 0 GIADRO c1ccc(COc2ccccc2C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)nc1 ZINC000179778165 822551053 /nfs/dbraw/zinc/55/10/53/822551053.db2.gz IIXLHWCAICVAOV-HXUWFJFHSA-N 1 0 399.498 4.083 20 0 GIADRO C[C@@H](NC(=O)C[NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1)c1ccccc1Cl ZINC000179779322 822551256 /nfs/dbraw/zinc/55/12/56/822551256.db2.gz GCXYXCPXEUQUJO-LSDHHAIUSA-N 1 0 399.922 4.217 20 0 GIADRO FC(F)Oc1ccc(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)cc1Br ZINC000179780444 822551536 /nfs/dbraw/zinc/55/15/36/822551536.db2.gz ZOMYQDAMKSSRCO-LBPRGKRZSA-N 1 0 386.240 4.153 20 0 GIADRO COC1CCN(c2ccc(N[C@@H]3CC[N@H+](C)[C@H](C)C3)cc2C(F)(F)F)CC1 ZINC000179782819 822551918 /nfs/dbraw/zinc/55/19/18/822551918.db2.gz UDHYIZQBHYRXOO-GDBMZVCRSA-N 1 0 385.474 4.215 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)CCCc1ncc(-c2ccccc2)o1 ZINC000047187675 822552230 /nfs/dbraw/zinc/55/22/30/822552230.db2.gz NZEWMXKQGYXMPV-LJQANCHMSA-N 1 0 383.536 4.435 20 0 GIADRO CC(=O)Nc1cc(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)ccc1C ZINC000047186611 822552329 /nfs/dbraw/zinc/55/23/29/822552329.db2.gz LCDJYPXFKFGUAE-KRWDZBQOSA-N 1 0 393.531 4.115 20 0 GIADRO CCCCN(C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C)[C@@H]1CCC[C@@H](C)C1 ZINC000454897069 822552695 /nfs/dbraw/zinc/55/26/95/822552695.db2.gz XPBDCBFKKHCGNS-VQIMIIECSA-N 1 0 388.556 4.060 20 0 GIADRO C[C@H](NC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[C@@H]1CCC[C@@H](C)C1 ZINC000454898105 822552908 /nfs/dbraw/zinc/55/29/08/822552908.db2.gz IZRUVQOBBHXWFO-XYUDRNGQSA-N 1 0 389.506 4.306 20 0 GIADRO CC1CC[NH+](CCCCNC(=O)c2cccc(NC(=O)c3cccs3)c2)CC1 ZINC000047198916 822553739 /nfs/dbraw/zinc/55/37/39/822553739.db2.gz IKNQAOCKKBXNCP-UHFFFAOYSA-N 1 0 399.560 4.242 20 0 GIADRO CC1CC[NH+](CCCCNC(=O)c2ccc(COc3ccc(F)cc3)o2)CC1 ZINC000047198903 822553754 /nfs/dbraw/zinc/55/37/54/822553754.db2.gz QGPNOCABTGEDNB-UHFFFAOYSA-N 1 0 388.483 4.240 20 0 GIADRO COc1ccccc1C1(C[NH2+][C@H]2CCN(Cc3ccccn3)C[C@H]2C)CCC1 ZINC000183958104 822553808 /nfs/dbraw/zinc/55/38/08/822553808.db2.gz DJOPEGZLQJMQNQ-KNQAVFIVSA-N 1 0 379.548 4.012 20 0 GIADRO Cc1nn(Cc2ccccc2)c(C)c1C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000047214294 822554911 /nfs/dbraw/zinc/55/49/11/822554911.db2.gz KFJZIKFJQMSAKW-KDURUIRLSA-N 1 0 396.579 4.036 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccccc1NC(=O)c1ccccc1 ZINC000047214925 822554917 /nfs/dbraw/zinc/55/49/17/822554917.db2.gz YEDOISUEHGXIEB-LJQANCHMSA-N 1 0 393.531 4.323 20 0 GIADRO c1ccc(COC2CC[NH+](Cc3ccc(Oc4cnccn4)cc3)CC2)cc1 ZINC000179801359 822555626 /nfs/dbraw/zinc/55/56/26/822555626.db2.gz OLNZPLLQESKTGR-UHFFFAOYSA-N 1 0 375.472 4.450 20 0 GIADRO C[C@@H](F)CCNC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000454919229 822556768 /nfs/dbraw/zinc/55/67/68/822556768.db2.gz GFMMZADGNOYESE-QNBCLJFBSA-N 1 0 381.923 4.301 20 0 GIADRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@H]1CCCC1(F)F ZINC000454920540 822557052 /nfs/dbraw/zinc/55/70/52/822557052.db2.gz KUPLTTWDODHRRY-MSOLQXFVSA-N 1 0 379.495 4.022 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(C(F)F)cc1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000183988370 822558632 /nfs/dbraw/zinc/55/86/32/822558632.db2.gz YLZIXONYYBLQFC-CQSZACIVSA-N 1 0 380.460 4.015 20 0 GIADRO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]CCC[C@@H]2CCCCO2)cc1 ZINC000183990114 822559094 /nfs/dbraw/zinc/55/90/94/822559094.db2.gz HWJZPNZJABJQDL-SESVDKBCSA-N 1 0 379.566 4.019 20 0 GIADRO CC(=O)c1c(C)cc(C)c(C[N@@H+]2CCC[C@H](C(=O)Nc3ccccn3)C2)c1C ZINC000047260422 822559571 /nfs/dbraw/zinc/55/95/71/822559571.db2.gz LVUIHBIZZONUEG-IBGZPJMESA-N 1 0 379.504 4.060 20 0 GIADRO COc1cc(F)c(NC(=O)NC[C@@H](c2ccc(SC)cc2)[NH+](C)C)cc1F ZINC000454939429 822560311 /nfs/dbraw/zinc/56/03/11/822560311.db2.gz HJLMWYLMYPODMR-KRWDZBQOSA-N 1 0 395.475 4.120 20 0 GIADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCC[C@H]1CCCCO1 ZINC000184001033 822561371 /nfs/dbraw/zinc/56/13/71/822561371.db2.gz SXJROBOBGOZEBB-RHSMWYFYSA-N 1 0 383.330 4.105 20 0 GIADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCC[C@@H]1CCCCO1 ZINC000184000994 822561417 /nfs/dbraw/zinc/56/14/17/822561417.db2.gz SXJROBOBGOZEBB-PBHICJAKSA-N 1 0 383.330 4.105 20 0 GIADRO Cc1nn(C)c2nc(C)c(C(=O)Nc3ccc(C[N@H+]4CCC[C@@H](C)C4)cc3)cc12 ZINC000047283524 822561942 /nfs/dbraw/zinc/56/19/42/822561942.db2.gz FBWHNZVWLFUISY-OAHLLOKOSA-N 1 0 391.519 4.069 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccc4c(c3)NC(=O)CS4)cc2)C1 ZINC000047283413 822561971 /nfs/dbraw/zinc/56/19/71/822561971.db2.gz ZZFVEPBZYQSTMJ-OAHLLOKOSA-N 1 0 395.528 4.215 20 0 GIADRO O=C(NCCc1ccc(C(F)(F)F)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000047302268 822563414 /nfs/dbraw/zinc/56/34/14/822563414.db2.gz JXMHMJLDNYOIKV-UHFFFAOYSA-N 1 0 390.449 4.276 20 0 GIADRO CCN(CC)C(=O)c1cccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000047304583 822563634 /nfs/dbraw/zinc/56/36/34/822563634.db2.gz ULDUJIUSQFQXAY-UHFFFAOYSA-N 1 0 393.531 4.019 20 0 GIADRO CC[NH+](CC)CCOc1ccc(CNC(=O)Nc2cccc(C)c2C)cc1OC ZINC000047322163 822565465 /nfs/dbraw/zinc/56/54/65/822565465.db2.gz RXIRWRIEWCKADQ-UHFFFAOYSA-N 1 0 399.535 4.354 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCOCC1 ZINC000179850501 822566026 /nfs/dbraw/zinc/56/60/26/822566026.db2.gz FDDBIAFDVLEGNO-JTQLQIEISA-N 1 0 398.347 4.067 20 0 GIADRO CCc1cc(Br)ccc1NC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000454989203 822566547 /nfs/dbraw/zinc/56/65/47/822566547.db2.gz HZEJHQYYMBNTRU-UHFFFAOYSA-N 1 0 380.330 4.150 20 0 GIADRO CCNC(=O)c1cccc(C[NH2+]Cc2cccc(OCc3ccc(F)cc3)c2)c1 ZINC000179856540 822567209 /nfs/dbraw/zinc/56/72/09/822567209.db2.gz QRYJPRIAYFUFHV-UHFFFAOYSA-N 1 0 392.474 4.444 20 0 GIADRO COc1ccccc1CSc1ccccc1NC(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000454994952 822567389 /nfs/dbraw/zinc/56/73/89/822567389.db2.gz HSFXBCQFGBFUPH-MRXNPFEDSA-N 1 0 385.533 4.061 20 0 GIADRO O=C(Nc1ccc(Cl)cc1F)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000047336234 822568069 /nfs/dbraw/zinc/56/80/69/822568069.db2.gz WLRIFQJZTWJFGQ-UHFFFAOYSA-N 1 0 379.838 4.404 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N(Cc1cccc(F)c1)C1CC1 ZINC000047366994 822571130 /nfs/dbraw/zinc/57/11/30/822571130.db2.gz OMCBSXJZFMMIPM-UHFFFAOYSA-N 1 0 396.510 4.082 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)Nc2nc(C(F)(F)F)cs2)CC1 ZINC000047388188 822573488 /nfs/dbraw/zinc/57/34/88/822573488.db2.gz CNIWNYIUGGTQKI-UHFFFAOYSA-N 1 0 398.454 4.256 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)CC1 ZINC000184071044 822574023 /nfs/dbraw/zinc/57/40/23/822574023.db2.gz OIWMQPSBZFZYAR-AZUAARDMSA-N 1 0 378.507 4.429 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)c2csc(-c3ccoc3)n2)CC1 ZINC000184082378 822575183 /nfs/dbraw/zinc/57/51/83/822575183.db2.gz KSIDKYJXUNEZJA-UHFFFAOYSA-N 1 0 375.538 4.377 20 0 GIADRO Cc1cc(C)nc(SCC(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)n1 ZINC000047402073 822575595 /nfs/dbraw/zinc/57/55/95/822575595.db2.gz OBNLNJBDLJDLAF-UHFFFAOYSA-N 1 0 384.549 4.056 20 0 GIADRO CC1CC[NH+](Cc2ccc(NC(=O)CCCNC(=O)c3ccsc3)cc2)CC1 ZINC000047402100 822575628 /nfs/dbraw/zinc/57/56/28/822575628.db2.gz NFIZIMQLQHYRSG-UHFFFAOYSA-N 1 0 399.560 4.129 20 0 GIADRO COc1ccc(OC)c([C@@H](C)[NH2+]CCCc2nc(-c3ccc(F)cc3)no2)c1 ZINC000184093273 822576936 /nfs/dbraw/zinc/57/69/36/822576936.db2.gz JDHLXHZSWQGPSW-CQSZACIVSA-N 1 0 385.439 4.176 20 0 GIADRO COC[C@H]([NH2+]CCCc1nc(-c2ccc(F)cc2)no1)c1ccc(F)c(F)c1 ZINC000184097174 822577425 /nfs/dbraw/zinc/57/74/25/822577425.db2.gz IPTNHXOVOSYUAY-SFHVURJKSA-N 1 0 391.393 4.064 20 0 GIADRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccc(NC(=O)c3cccs3)cc2)C1 ZINC000047416633 822577539 /nfs/dbraw/zinc/57/75/39/822577539.db2.gz WDDXVBKZSVTTSY-IRXDYDNUSA-N 1 0 399.560 4.098 20 0 GIADRO CCc1cccc(C)c1NC(=O)C[N@H+](Cc1ccc(OC)cc1)[C@H](CO)C(C)C ZINC000179924990 822578198 /nfs/dbraw/zinc/57/81/98/822578198.db2.gz HYKQRINSKWXAPW-JOCHJYFZSA-N 1 0 398.547 4.024 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)CCc2ncc(-c3c(F)cccc3F)o2)c1 ZINC000047453836 822580922 /nfs/dbraw/zinc/58/09/22/822580922.db2.gz OBLGPKLQZDADKA-UHFFFAOYSA-N 1 0 385.414 4.253 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)c2csc(COc3ccc(F)cc3)n2)c1 ZINC000047454109 822581023 /nfs/dbraw/zinc/58/10/23/822581023.db2.gz RLSFGJAKYREQLP-UHFFFAOYSA-N 1 0 385.464 4.175 20 0 GIADRO Cc1noc([C@@H]2CCC[N@H+](Cc3ccc(Br)c4cccnc34)C2)n1 ZINC000179941015 822581477 /nfs/dbraw/zinc/58/14/77/822581477.db2.gz SHUGSSWFEGPMAJ-CQSZACIVSA-N 1 0 387.281 4.068 20 0 GIADRO CCOc1cc(C[N@H+](C)Cc2ccc(O)c(OC)c2)ccc1OCC(F)(F)F ZINC000179944260 822582508 /nfs/dbraw/zinc/58/25/08/822582508.db2.gz YGSVIDADLOTHTG-UHFFFAOYSA-N 1 0 399.409 4.373 20 0 GIADRO CC[NH+](CC)C1CCN(C(=O)Nc2ccc(OC)c(OC3CCCC3)c2)CC1 ZINC000047507097 822585358 /nfs/dbraw/zinc/58/53/58/822585358.db2.gz HKBJJYKDXSEIOT-UHFFFAOYSA-N 1 0 389.540 4.355 20 0 GIADRO Cc1nc(-c2ccc(CCNC(=O)CC3(C[NH3+])CCCCC3)s2)cs1 ZINC000184145073 822585363 /nfs/dbraw/zinc/58/53/63/822585363.db2.gz XYPIKWTXACCFSY-UHFFFAOYSA-N 1 0 377.579 4.138 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)NCc2c(F)cc(F)cc2F)[C@@H]1c1cccs1 ZINC000455075423 822585584 /nfs/dbraw/zinc/58/55/84/822585584.db2.gz FEQIIHYGOIXNHC-KPZWWZAWSA-N 1 0 397.466 4.048 20 0 GIADRO CC(C)(C)OC(=O)N1CCC([C@H]([NH2+]C2CCOCC2)c2ccc(F)cc2)CC1 ZINC000184148023 822585764 /nfs/dbraw/zinc/58/57/64/822585764.db2.gz ZCBMOBZTMMNTKS-HXUWFJFHSA-N 1 0 392.515 4.283 20 0 GIADRO Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)CC1(C[NH3+])CCCCC1 ZINC000184151213 822586435 /nfs/dbraw/zinc/58/64/35/822586435.db2.gz LOXMVXMGPWYKLQ-UHFFFAOYSA-N 1 0 385.552 4.105 20 0 GIADRO C[C@H](CCCO)[NH2+][C@H](c1ccc(F)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000184161307 822588288 /nfs/dbraw/zinc/58/82/88/822588288.db2.gz ZWJYJYCWQBSLRB-OXQOHEQNSA-N 1 0 394.531 4.265 20 0 GIADRO CC(C)(C)OC(=O)NC1CC[NH+](Cc2cc(-c3ccc(Cl)cc3)no2)CC1 ZINC000047539665 822588571 /nfs/dbraw/zinc/58/85/71/822588571.db2.gz KCADFUVRLDNVJQ-UHFFFAOYSA-N 1 0 391.899 4.484 20 0 GIADRO O=C([C@@H]1C[C@H]1c1cccc(Cl)c1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000455105011 822589475 /nfs/dbraw/zinc/58/94/75/822589475.db2.gz CKURFOXGVFXDGQ-XZOQPEGZSA-N 1 0 394.946 4.493 20 0 GIADRO O=C(Nc1ccc(Oc2ccccc2)cn1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000455105982 822589584 /nfs/dbraw/zinc/58/95/84/822589584.db2.gz DDFZIYQFUAXYQL-LAUBAEHRSA-N 1 0 392.503 4.355 20 0 GIADRO O=C(Nc1ccc(Oc2ccccc2)cn1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000455105984 822589693 /nfs/dbraw/zinc/58/96/93/822589693.db2.gz DDFZIYQFUAXYQL-UWJYYQICSA-N 1 0 392.503 4.355 20 0 GIADRO COc1cc(C[NH2+]CCCc2nc(-c3ccc(F)cc3)no2)ccc1SC ZINC000184170347 822590013 /nfs/dbraw/zinc/59/00/13/822590013.db2.gz UBZCYYSWRDIUSB-UHFFFAOYSA-N 1 0 387.480 4.329 20 0 GIADRO C[C@H](c1ccccc1)N1CC[C@H]([NH2+]CCCc2nc(-c3ccc(F)cc3)no2)C1 ZINC000184174228 822590815 /nfs/dbraw/zinc/59/08/15/822590815.db2.gz YOQAKMNGQZCKEO-UTKZUKDTSA-N 1 0 394.494 4.233 20 0 GIADRO Cc1ccc(-c2n[nH]cc2C[NH2+]CCCc2nc(-c3ccc(F)cc3)no2)cc1 ZINC000184175828 822591163 /nfs/dbraw/zinc/59/11/63/822591163.db2.gz CMWUAWBADSVJJW-UHFFFAOYSA-N 1 0 391.450 4.297 20 0 GIADRO Cc1ccc([C@H](Cc2ccccc2)[NH2+]C[C@@H]2COC3(CCOCC3)O2)cc1C ZINC000179990617 822591740 /nfs/dbraw/zinc/59/17/40/822591740.db2.gz GSHJKCQCOHSTEY-PKTZIBPZSA-N 1 0 381.516 4.099 20 0 GIADRO CC[C@H](Nc1cc(C[NH+](C)C)ccc1C)c1ccccc1OCC(=O)N(C)C ZINC000179992477 822592228 /nfs/dbraw/zinc/59/22/28/822592228.db2.gz JWEYYUGUKOCANZ-FQEVSTJZSA-N 1 0 383.536 4.087 20 0 GIADRO CC(C)Oc1c(F)cc(NC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)cc1F ZINC000455126759 822593142 /nfs/dbraw/zinc/59/31/42/822593142.db2.gz OKABYTCEWRZWEK-AWEZNQCLSA-N 1 0 381.467 4.090 20 0 GIADRO CC(C)COC[C@H]([NH2+]C[C@H](O)c1ccccc1Br)c1ccco1 ZINC000184189034 822593179 /nfs/dbraw/zinc/59/31/79/822593179.db2.gz GYXJYIWFUZWLBR-IRXDYDNUSA-N 1 0 382.298 4.079 20 0 GIADRO Cc1ccccc1COc1ccc([C@@H](C)[NH2+]C[C@H]2COC3(CCOCC3)O2)cc1 ZINC000179998882 822593209 /nfs/dbraw/zinc/59/32/09/822593209.db2.gz LYVFEGVHKAWUIT-XXBNENTESA-N 1 0 397.515 4.147 20 0 GIADRO O=C(C[NH2+]C1(c2cccc(C(F)(F)F)c2)CCC1)Nc1cccnc1Cl ZINC000180000811 822593405 /nfs/dbraw/zinc/59/34/05/822593405.db2.gz LDCNOGCNSMTQHN-UHFFFAOYSA-N 1 0 383.801 4.361 20 0 GIADRO Cc1cccn2c(=O)cc(C[NH2+]C3(c4cccc(C(F)(F)F)c4)CCC3)nc12 ZINC000180001935 822593635 /nfs/dbraw/zinc/59/36/35/822593635.db2.gz RCUPVHULIFPOCK-UHFFFAOYSA-N 1 0 387.405 4.191 20 0 GIADRO CN(C)S(=O)(=O)c1ccccc1C[NH2+][C@H](c1ccccc1F)C1CCCC1 ZINC000180003774 822593977 /nfs/dbraw/zinc/59/39/77/822593977.db2.gz LBVGDTAGIKGCKL-NRFANRHFSA-N 1 0 390.524 4.097 20 0 GIADRO COc1ccccc1[C@@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)C1CCCC1 ZINC000180006431 822594546 /nfs/dbraw/zinc/59/45/46/822594546.db2.gz AUBADNVIHVIPKM-QFIPXVFZSA-N 1 0 382.504 4.414 20 0 GIADRO Cc1c(N[C@@H](C)c2cccc(OCC[NH+](C)C)c2)cccc1N1CCOC1=O ZINC000180012224 822596219 /nfs/dbraw/zinc/59/62/19/822596219.db2.gz VOFIXJUUYMXUJV-KRWDZBQOSA-N 1 0 383.492 4.065 20 0 GIADRO O=C(Nc1ccc(F)cc1)C1CC[NH+](Cc2c(C3CC3)nc3sccn23)CC1 ZINC000180013243 822596370 /nfs/dbraw/zinc/59/63/70/822596370.db2.gz MVQPHTMERPRNLJ-UHFFFAOYSA-N 1 0 398.507 4.263 20 0 GIADRO C[NH+]1CCC(N[C@H](c2ccccc2)c2cc(Br)ccc2F)CC1 ZINC000180013482 822596633 /nfs/dbraw/zinc/59/66/33/822596633.db2.gz WJXWSHCJBVQWIB-LJQANCHMSA-N 1 0 377.301 4.361 20 0 GIADRO Clc1ccc(-c2noc([C@H]3CCC[N@H+](Cc4cccc5nccn54)C3)n2)cc1 ZINC000180014231 822596657 /nfs/dbraw/zinc/59/66/57/822596657.db2.gz AEICLWKWTUJZOK-INIZCTEOSA-N 1 0 393.878 4.417 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(CN2CCCC2=O)c1)c1nc2ccc(Cl)cc2n1C ZINC000180014548 822596822 /nfs/dbraw/zinc/59/68/22/822596822.db2.gz KWYIYVFFRAUTGT-OAHLLOKOSA-N 1 0 396.922 4.200 20 0 GIADRO O=C1CCCN1Cc1cccc(C[NH2+][C@@H]2CCc3c2cccc3Br)c1 ZINC000180014738 822596839 /nfs/dbraw/zinc/59/68/39/822596839.db2.gz XJDCARRUFBJNDM-HXUWFJFHSA-N 1 0 399.332 4.349 20 0 GIADRO CCNC(=O)c1cccc(NC(=O)C[NH2+][C@H](c2ccc(Cl)cc2)[C@H]2C[C@@H]2C)c1 ZINC000180017019 822597309 /nfs/dbraw/zinc/59/73/09/822597309.db2.gz ZEEZULPMEVZDJA-ONTRVFCTSA-N 1 0 399.922 4.015 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(OC)c(OC(C)C)c1)c1ccco1 ZINC000184215297 822597489 /nfs/dbraw/zinc/59/74/89/822597489.db2.gz LVIIFNIAXDKTRJ-QGZVFWFLSA-N 1 0 389.496 4.280 20 0 GIADRO CC[C@H]1Oc2cc([C@@H](C)[NH2+]CC(=O)Nc3cccc(C(C)C)c3)ccc2NC1=O ZINC000180018872 822597642 /nfs/dbraw/zinc/59/76/42/822597642.db2.gz CACUOLFSTNPQLP-FOIQADDNSA-N 1 0 395.503 4.209 20 0 GIADRO CN1CC[NH+](CCC(C)(C)NC(=O)c2cc(-c3ccccc3)ccc2Cl)CC1 ZINC000184220258 822598180 /nfs/dbraw/zinc/59/81/80/822598180.db2.gz BJJAPHUIGRCRTH-UHFFFAOYSA-N 1 0 399.966 4.153 20 0 GIADRO Cc1ccc([C@H]([NH2+]CCCOCC(C)C)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000180021137 822598327 /nfs/dbraw/zinc/59/83/27/822598327.db2.gz SRGLLOKJMMJVKA-QFIPXVFZSA-N 1 0 389.561 4.140 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1ccc(C(F)(F)F)cc1Cl ZINC000180022457 822598506 /nfs/dbraw/zinc/59/85/06/822598506.db2.gz URLCKLUXNZPAKC-UHFFFAOYSA-N 1 0 397.828 4.148 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)C[NH2+][C@H](c2ccc(Cl)cc2)[C@H]2C[C@H]2C)c1 ZINC000180023306 822598710 /nfs/dbraw/zinc/59/87/10/822598710.db2.gz HSUBHPAWXKAKHW-YIILKADPSA-N 1 0 385.895 4.224 20 0 GIADRO CC(C)[C@H](C)NC(=O)C1CC[NH+](Cc2cccc(C(=O)OC(C)(C)C)c2)CC1 ZINC000180024170 822599204 /nfs/dbraw/zinc/59/92/04/822599204.db2.gz NMNFJPHWMFFPNB-KRWDZBQOSA-N 1 0 388.552 4.015 20 0 GIADRO C[C@H](NC(=O)OC(C)(C)C)C1CC[NH+](Cc2cn(C)nc2-c2ccccc2)CC1 ZINC000180026272 822599639 /nfs/dbraw/zinc/59/96/39/822599639.db2.gz HXCXVHZUYWVXPE-KRWDZBQOSA-N 1 0 398.551 4.212 20 0 GIADRO COCCOc1ccc(C[NH2+]Cc2ccc(-c3csc(C)n3)cc2)cc1OC ZINC000047699081 822600651 /nfs/dbraw/zinc/60/06/51/822600651.db2.gz XWHUCGVFBDQMLV-UHFFFAOYSA-N 1 0 398.528 4.442 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CCCCC2(F)F)[C@H]1c1cccs1 ZINC000455170679 822601408 /nfs/dbraw/zinc/60/14/08/822601408.db2.gz OPFXFVHPSYRPOT-VYDXJSESSA-N 1 0 385.524 4.256 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)Nc1nnc(-c2cccc(Cl)c2)s1 ZINC000455177351 822602311 /nfs/dbraw/zinc/60/23/11/822602311.db2.gz JCZHNSYWYHBSIG-UHFFFAOYSA-N 1 0 381.933 4.100 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(Cn2cccn2)c1)c1nc2ccc(Cl)cc2n1C ZINC000180037957 822602470 /nfs/dbraw/zinc/60/24/70/822602470.db2.gz DKGFFCVPNRAMBM-OAHLLOKOSA-N 1 0 379.895 4.322 20 0 GIADRO CCCC(=O)Nc1cccc(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000047715112 822602777 /nfs/dbraw/zinc/60/27/77/822602777.db2.gz WVJWBBXWZAMEEV-IBGZPJMESA-N 1 0 398.507 4.367 20 0 GIADRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1ncccc1C(F)(F)F ZINC000180041745 822602880 /nfs/dbraw/zinc/60/28/80/822602880.db2.gz YAYIWZPRODVEBA-UHFFFAOYSA-N 1 0 395.450 4.210 20 0 GIADRO CCCC(=O)Nc1cccc(NC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)c1 ZINC000047715699 822603257 /nfs/dbraw/zinc/60/32/57/822603257.db2.gz YPOZOAPRFQHBCN-UHFFFAOYSA-N 1 0 394.519 4.165 20 0 GIADRO COc1cccc(CC[NH2+]Cc2ccc(OCc3c(C)noc3C)c(OC)c2)c1 ZINC000047720866 822603973 /nfs/dbraw/zinc/60/39/73/822603973.db2.gz MELSGSXZXGEWFB-UHFFFAOYSA-N 1 0 396.487 4.220 20 0 GIADRO CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2cnn(Cc3ccccc3)c2)cc1 ZINC000047723737 822604226 /nfs/dbraw/zinc/60/42/26/822604226.db2.gz RWVFPYCCYULPQP-GOSISDBHSA-N 1 0 391.519 4.312 20 0 GIADRO Cc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+][C@@H](C)C[S@](C)=O)cc1C ZINC000184260159 822604928 /nfs/dbraw/zinc/60/49/28/822604928.db2.gz ICWHJCUTEXSGIG-VKGTZQKMSA-N 1 0 395.572 4.072 20 0 GIADRO Cc1ccc([C@@H]([NH2+]Cc2ccccc2S(=O)(=O)NC(C)(C)C)C2CC2)cc1 ZINC000180053541 822605259 /nfs/dbraw/zinc/60/52/59/822605259.db2.gz HDURJRPFOKNPOA-OAQYLSRUSA-N 1 0 386.561 4.313 20 0 GIADRO Cc1[nH]c2ccc(C(=O)Nc3ccc(C)c(NC(=O)CC[NH+](C)C)c3)cc2c1C ZINC000184280200 822607957 /nfs/dbraw/zinc/60/79/57/822607957.db2.gz UHVNJZNUFNCITI-UHFFFAOYSA-N 1 0 392.503 4.236 20 0 GIADRO Cc1cccn2c(=O)cc(C[NH2+][C@@H](c3cccc(C(F)(F)F)c3)C3CC3)nc12 ZINC000180070417 822609154 /nfs/dbraw/zinc/60/91/54/822609154.db2.gz ZEXWPIQLVLVXBQ-LJQANCHMSA-N 1 0 387.405 4.263 20 0 GIADRO O=C1CCCN1C[C@@H]([NH2+]Cc1ccc(F)c(Br)c1)c1ccccc1 ZINC000047794609 822609526 /nfs/dbraw/zinc/60/95/26/822609526.db2.gz PAZUHQDGMNPCKE-GOSISDBHSA-N 1 0 391.284 4.042 20 0 GIADRO C[C@H](C[NH2+]Cc1cc(Br)ccc1OC(F)F)c1nccs1 ZINC000184292840 822609846 /nfs/dbraw/zinc/60/98/46/822609846.db2.gz GWCYPJCGABLRSJ-SECBINFHSA-N 1 0 377.254 4.400 20 0 GIADRO O=C(c1cc(F)ccc1F)C1CC[NH+](C[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000047798044 822609946 /nfs/dbraw/zinc/60/99/46/822609946.db2.gz JVRMOCPNWDVAFP-IBGZPJMESA-N 1 0 379.834 4.247 20 0 GIADRO COc1cc([C@H](C)[NH2+]CC(=O)Nc2cccc(C(C)=O)c2)ccc1OCC(C)C ZINC000180092587 822613767 /nfs/dbraw/zinc/61/37/67/822613767.db2.gz FJZZRQSPKRJCMM-INIZCTEOSA-N 1 0 398.503 4.222 20 0 GIADRO COc1ccc2oc([C@H](C)[NH2+]CC(=O)Nc3cccc(C(C)=O)c3)c(C)c2c1 ZINC000184321620 822614556 /nfs/dbraw/zinc/61/45/56/822614556.db2.gz SJSUEHUNXUCVRR-AWEZNQCLSA-N 1 0 380.444 4.242 20 0 GIADRO COc1cc([C@@H](C)[NH2+]CC(=O)Nc2ccc(C(C)=O)cc2)ccc1OCC(C)C ZINC000180098307 822614816 /nfs/dbraw/zinc/61/48/16/822614816.db2.gz IMRMUWMHPWKOIT-MRXNPFEDSA-N 1 0 398.503 4.222 20 0 GIADRO Cc1ccc(Oc2ccccc2C[NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000180101528 822615437 /nfs/dbraw/zinc/61/54/37/822615437.db2.gz NGPXPYFVCHNFBB-KRWDZBQOSA-N 1 0 396.512 4.286 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N[C@@H]1CCSc2ccc(F)cc21 ZINC000047882436 822615995 /nfs/dbraw/zinc/61/59/95/822615995.db2.gz VKHIIIRGMMGVOK-IAGOWNOFSA-N 1 0 389.496 4.092 20 0 GIADRO CC(C)[NH+]1CCC(NC(=O)NCc2ccc(OCc3cccc(F)c3)cc2)CC1 ZINC000047883723 822616227 /nfs/dbraw/zinc/61/62/27/822616227.db2.gz XIYZHXWTOQQQKV-UHFFFAOYSA-N 1 0 399.510 4.077 20 0 GIADRO CC[NH+](CC)[C@H](CN[C@H](c1cnn(C)c1)c1cccc(F)c1)c1ccsc1 ZINC000180107289 822616559 /nfs/dbraw/zinc/61/65/59/822616559.db2.gz WEJKUZBTJQMTAJ-RTWAWAEBSA-N 1 0 386.540 4.383 20 0 GIADRO CCC[C@H]([NH2+][C@@H](C)c1cncc(C)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000184336646 822617949 /nfs/dbraw/zinc/61/79/49/822617949.db2.gz VYAKPAFRZGMIHL-AVRDEDQJSA-N 1 0 380.536 4.448 20 0 GIADRO O=C(C[N@H+](C1CC1)C1CCCCC1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000047904073 822618028 /nfs/dbraw/zinc/61/80/28/822618028.db2.gz HVPXNXBBINPBRE-NRFANRHFSA-N 1 0 398.547 4.309 20 0 GIADRO COc1ccc2oc([C@@H](C)[NH2+]CC(=O)Nc3cc(OC)cc(OC)c3)c(C)c2c1 ZINC000184339063 822618272 /nfs/dbraw/zinc/61/82/72/822618272.db2.gz YRSAYJXDYAPPCK-CQSZACIVSA-N 1 0 398.459 4.056 20 0 GIADRO CC(C)(CNC(=O)NCc1cccc(COCc2ccco2)c1)[NH+]1CCCCC1 ZINC000047910355 822618896 /nfs/dbraw/zinc/61/88/96/822618896.db2.gz KCYBQLPWXZUBGW-UHFFFAOYSA-N 1 0 399.535 4.060 20 0 GIADRO CC(C)Oc1cccc([C@@H](O)C[NH2+][C@H](C)c2nc3ccc(Cl)cc3n2C)c1 ZINC000180120313 822619276 /nfs/dbraw/zinc/61/92/76/822619276.db2.gz GPPRPFIZRKAAHS-VLIAUNLRSA-N 1 0 387.911 4.398 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)C1CC1 ZINC000047922663 822619890 /nfs/dbraw/zinc/61/98/90/822619890.db2.gz JCRDIHYHKGFPMK-MRXNPFEDSA-N 1 0 396.318 4.037 20 0 GIADRO C[N@@H+]1CC[C@H](NC(=O)c2ccc(COc3ccc(F)cc3)o2)[C@@H]1c1ccccc1 ZINC000180126152 822620745 /nfs/dbraw/zinc/62/07/45/822620745.db2.gz WYVHACBGMNCWBB-UNMCSNQZSA-N 1 0 394.446 4.173 20 0 GIADRO CCOC(=O)Nc1ccc(NC(=O)NCc2ccccc2C[N@H+](C)C(C)C)cc1 ZINC000047945374 822621452 /nfs/dbraw/zinc/62/14/52/822621452.db2.gz HCDODNMXVHFGHQ-UHFFFAOYSA-N 1 0 398.507 4.417 20 0 GIADRO Cc1ccc([C@H]([NH2+]Cc2ccc(N3CCO[C@H](C)C3)nc2)c2ccccc2)cc1 ZINC000180130225 822621887 /nfs/dbraw/zinc/62/18/87/822621887.db2.gz YVMFDTYZMTZNSU-CJFMBICVSA-N 1 0 387.527 4.494 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)N[C@@H](C)c1cccc(NC(C)=O)c1)c1ccccc1 ZINC000047948090 822621938 /nfs/dbraw/zinc/62/19/38/822621938.db2.gz DDLOEKOSIQTXAX-JTSKRJEESA-N 1 0 396.535 4.088 20 0 GIADRO Cc1cc(NC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc(C)c1Br ZINC000455269368 822622388 /nfs/dbraw/zinc/62/23/88/822622388.db2.gz MUQGVPXNUVNZQM-SFHVURJKSA-N 1 0 380.330 4.016 20 0 GIADRO C[C@@H](N[C@@H]1CCCN(c2ccccc2Cl)C1=O)c1nc2ccccc2n1C ZINC000180132889 822622630 /nfs/dbraw/zinc/62/26/30/822622630.db2.gz LSIFWDDUHLCKJW-RHSMWYFYSA-N 1 0 382.895 4.073 20 0 GIADRO Cc1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)ccc1NC(=O)CC(C)C ZINC000180136455 822623814 /nfs/dbraw/zinc/62/38/14/822623814.db2.gz FQULYSJYYKFZDU-FYYLOGMGSA-N 1 0 393.531 4.155 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CC[C@@H](c2c(F)cccc2F)C1 ZINC000184378514 822624802 /nfs/dbraw/zinc/62/48/02/822624802.db2.gz WKEARJCDMHSLCL-GOSISDBHSA-N 1 0 399.485 4.128 20 0 GIADRO CCCCOc1ccc(OC)cc1NC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000180143369 822625540 /nfs/dbraw/zinc/62/55/40/822625540.db2.gz UDBOXKIKFXGTML-UHFFFAOYSA-N 1 0 391.556 4.460 20 0 GIADRO C[C@H]([NH2+]C[C@H](Cc1ccccc1)c1ccccc1)c1ccc(S(N)(=O)=O)cc1 ZINC000180143449 822625551 /nfs/dbraw/zinc/62/55/51/822625551.db2.gz RCEUBUCATBAHBM-AVRDEDQJSA-N 1 0 394.540 4.011 20 0 GIADRO CC[C@H](C)[C@@H](NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)C(F)(F)F ZINC000455280334 822625718 /nfs/dbraw/zinc/62/57/18/822625718.db2.gz GBJXAQYYEHXTFU-WCQYABFASA-N 1 0 391.400 4.022 20 0 GIADRO COc1cccc([C@H](CNC(=S)Nc2cc(C)ccc2C)[NH+]2CCCC2)c1 ZINC000048040404 822626003 /nfs/dbraw/zinc/62/60/03/822626003.db2.gz BPPNUPQTIGJBAZ-NRFANRHFSA-N 1 0 383.561 4.436 20 0 GIADRO Cc1ccccc1[C@H]1CCCN1C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000048059301 822627999 /nfs/dbraw/zinc/62/79/99/822627999.db2.gz UOFYPWIFBKTUKC-OAQYLSRUSA-N 1 0 378.520 4.116 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1ccc(OCC(F)(F)F)cc1)c1ccc(F)cc1 ZINC000048061222 822628246 /nfs/dbraw/zinc/62/82/46/822628246.db2.gz GERZOOKLSHEZGM-QGZVFWFLSA-N 1 0 399.388 4.191 20 0 GIADRO C[C@H](Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1ccc([S@@](C)=O)cc1 ZINC000180155662 822628633 /nfs/dbraw/zinc/62/86/33/822628633.db2.gz STIMCBXDMDJXGE-XDBZFTIUSA-N 1 0 397.588 4.129 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)c1 ZINC000180157637 822628979 /nfs/dbraw/zinc/62/89/79/822628979.db2.gz MTYXUAUKDKPABJ-SFHVURJKSA-N 1 0 392.547 4.350 20 0 GIADRO C[C@@H](CNC(=O)Nc1cccc(NC(=O)c2ccccc2)c1)C[NH+]1CCCCC1 ZINC000048082935 822630376 /nfs/dbraw/zinc/63/03/76/822630376.db2.gz IPQIPLCXEITADT-SFHVURJKSA-N 1 0 394.519 4.182 20 0 GIADRO Cc1nc(CCC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)oc1-c1ccccc1 ZINC000180165372 822630615 /nfs/dbraw/zinc/63/06/15/822630615.db2.gz FTCFDKYGHWAWJF-NZQKXSOJSA-N 1 0 389.499 4.144 20 0 GIADRO Cc1ccc(NC(=O)[C@@H]([NH2+]CCC2(C)OCCO2)c2ccccc2)cc1Cl ZINC000184418610 822631575 /nfs/dbraw/zinc/63/15/75/822631575.db2.gz OXGMFUBWXCTOCL-IBGZPJMESA-N 1 0 388.895 4.071 20 0 GIADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Nc1cccc(N(C)C)c1C ZINC000180178344 822633147 /nfs/dbraw/zinc/63/31/47/822633147.db2.gz LJHFCKSCHOQHKY-UHFFFAOYSA-N 1 0 388.478 4.189 20 0 GIADRO C[C@@H]([NH2+]CCc1nc(-c2cccc(Cl)c2)no1)c1nc2ccccc2n1C ZINC000180178027 822633221 /nfs/dbraw/zinc/63/32/21/822633221.db2.gz IBVJFHOBHAANEU-CYBMUJFWSA-N 1 0 381.867 4.170 20 0 GIADRO Cc1csc(CNC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000455321097 822634013 /nfs/dbraw/zinc/63/40/13/822634013.db2.gz IPYUORWFHLNYHC-UHFFFAOYSA-N 1 0 377.941 4.174 20 0 GIADRO C[C@H]([NH2+][C@H](c1ccc(Cl)cc1)[C@H]1C[C@@H]1C)c1ccc(S(N)(=O)=O)cc1 ZINC000180185074 822634786 /nfs/dbraw/zinc/63/47/86/822634786.db2.gz SLQRIBZGTXMXJZ-BIPCEHGGSA-N 1 0 378.925 4.035 20 0 GIADRO CC1(C)CC(NC(=O)c2cc3cc(Br)ccc3o2)CC(C)(C)[NH2+]1 ZINC000048127220 822636508 /nfs/dbraw/zinc/63/65/08/822636508.db2.gz KIEKUWWCNJNSFJ-UHFFFAOYSA-N 1 0 379.298 4.234 20 0 GIADRO C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000048136837 822637186 /nfs/dbraw/zinc/63/71/86/822637186.db2.gz AQJQKTIBYUMKRB-IIBYNOLFSA-N 1 0 377.488 4.129 20 0 GIADRO C[C@@H]([NH2+]C1CCN([C@H](C)c2ccncc2)CC1)c1nc2ccc(Cl)cc2n1C ZINC000180199311 822638088 /nfs/dbraw/zinc/63/80/88/822638088.db2.gz MCIWYQXOYZUNQJ-HZPDHXFCSA-N 1 0 397.954 4.498 20 0 GIADRO Cc1c(C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)cnn1C(C)C ZINC000180204668 822639071 /nfs/dbraw/zinc/63/90/71/822639071.db2.gz TUTRJORAYCVPKB-UHFFFAOYSA-N 1 0 396.579 4.237 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)N[C@H]1CCCOc2cc(F)ccc21 ZINC000180205802 822639168 /nfs/dbraw/zinc/63/91/68/822639168.db2.gz VJVXSAXYIPXUQA-NRFANRHFSA-N 1 0 397.494 4.003 20 0 GIADRO CN(C(=O)c1ccccc1OC(F)(F)F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000180209335 822639849 /nfs/dbraw/zinc/63/98/49/822639849.db2.gz XZNHJTRWLMXUAC-UHFFFAOYSA-N 1 0 392.421 4.322 20 0 GIADRO C[N@H+](CCCCNC(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1)C1CC1 ZINC000455359063 822640086 /nfs/dbraw/zinc/64/00/86/822640086.db2.gz SNNMJGOEBNNWAA-UHFFFAOYSA-N 1 0 395.372 4.303 20 0 GIADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2sccc2Br)CC1 ZINC000048153208 822640546 /nfs/dbraw/zinc/64/05/46/822640546.db2.gz PCEISYRIHMINGX-UHFFFAOYSA-N 1 0 393.350 4.167 20 0 GIADRO CCO[C@H](C)c1nc(CN2CCN(Cc3cc(F)ccc3C)CC2)cs1 ZINC000180214300 822640883 /nfs/dbraw/zinc/64/08/83/822640883.db2.gz NVKYQYUUJGHBCB-MRXNPFEDSA-N 1 0 377.529 4.006 20 0 GIADRO CC[NH+]1CCC(n2nccc2NC(=O)c2ccc([C@@H](C)C(F)(F)F)cc2)CC1 ZINC000455367615 822641370 /nfs/dbraw/zinc/64/13/70/822641370.db2.gz CUFSYNQCIINNCH-CQSZACIVSA-N 1 0 394.441 4.458 20 0 GIADRO C[C@]12CC3CC(C(=O)NCC4CCN(c5cc[nH+]cc5)CC4)(C1)C[C@@](C)(C3)C2 ZINC000180218797 822641590 /nfs/dbraw/zinc/64/15/90/822641590.db2.gz KFCQQYMMUKRFTJ-ZPKAHVHTSA-N 1 0 381.564 4.411 20 0 GIADRO Cc1c2cccc(Cl)c2oc1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180228023 822643583 /nfs/dbraw/zinc/64/35/83/822643583.db2.gz LYIFIFQVIUIKNK-UHFFFAOYSA-N 1 0 383.879 4.436 20 0 GIADRO CC[C@@H](CNC(=O)c1sccc1Br)[N@@H+]1CCc2ccccc2C1 ZINC000048188642 822643669 /nfs/dbraw/zinc/64/36/69/822643669.db2.gz XFSJDMQQZNIMAT-HNNXBMFYSA-N 1 0 393.350 4.077 20 0 GIADRO CC(C)Cn1ncc(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)c1C(F)F ZINC000180230242 822644413 /nfs/dbraw/zinc/64/44/13/822644413.db2.gz UHXZVCJXTKTLQK-UHFFFAOYSA-N 1 0 390.478 4.367 20 0 GIADRO Cn1c(CCC[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)nc2ccccc21 ZINC000180231208 822644591 /nfs/dbraw/zinc/64/45/91/822644591.db2.gz CNAGAWHNWHEKJI-AYHJJNSGSA-N 1 0 398.551 4.026 20 0 GIADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)Nc3cccc(Br)c3Cl)C2)C1 ZINC000455389909 822645232 /nfs/dbraw/zinc/64/52/32/822645232.db2.gz AEOWTNUNXIHNII-MRXNPFEDSA-N 1 0 386.721 4.052 20 0 GIADRO O=C([C@@H]1CCn2ccnc2C1)N1CCCC[C@H]1c1ccccc1C(F)(F)F ZINC000455393482 822645759 /nfs/dbraw/zinc/64/57/59/822645759.db2.gz ZFYURQWOQQBLTM-PBHICJAKSA-N 1 0 377.410 4.218 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)NCCc2cccc3cccnc32)cc1 ZINC000048214804 822645915 /nfs/dbraw/zinc/64/59/15/822645915.db2.gz KDOITCOVZQQGHW-UHFFFAOYSA-N 1 0 390.531 4.119 20 0 GIADRO CC(C)Oc1ccc(CNC(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000048220360 822646324 /nfs/dbraw/zinc/64/63/24/822646324.db2.gz HLHIBONQUNVJMF-UHFFFAOYSA-N 1 0 381.520 4.069 20 0 GIADRO Cc1ccc(NC(=O)Cc2cccc(OCc3cccnc3)c2)c(C[NH+](C)C)c1 ZINC000180247038 822647692 /nfs/dbraw/zinc/64/76/92/822647692.db2.gz IPOVAGQYLMYCKL-UHFFFAOYSA-N 1 0 389.499 4.212 20 0 GIADRO C[C@H](CCN[C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1)[NH+]1CCCCC1 ZINC000184509402 822647758 /nfs/dbraw/zinc/64/77/58/822647758.db2.gz QODXZUBUPUWBPQ-RTBURBONSA-N 1 0 392.609 4.318 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)COCc1ccccc1F)c1nc(-c2ccccc2)cs1 ZINC000184515607 822648888 /nfs/dbraw/zinc/64/88/88/822648888.db2.gz XPVSUILHMPURTR-MAUKXSAKSA-N 1 0 386.492 4.178 20 0 GIADRO CCC(=O)Nc1ccc(C)c(NC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000048256717 822649151 /nfs/dbraw/zinc/64/91/51/822649151.db2.gz FCBKZMNAQFTXML-CALCHBBNSA-N 1 0 388.556 4.223 20 0 GIADRO CCC(=O)Nc1ccc(C)c(NC(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000048256719 822649185 /nfs/dbraw/zinc/64/91/85/822649185.db2.gz FCBKZMNAQFTXML-IAGOWNOFSA-N 1 0 388.556 4.223 20 0 GIADRO CCC(=O)Nc1ccc(C)c(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000048256975 822649299 /nfs/dbraw/zinc/64/92/99/822649299.db2.gz BTJDZKRMOQCRTQ-IBGZPJMESA-N 1 0 398.507 4.285 20 0 GIADRO Cc1ccc(-c2cnc(CCC(=O)NCCC[N@H+]3C[C@H](C)C[C@H](C)C3)o2)cc1 ZINC000048267777 822649875 /nfs/dbraw/zinc/64/98/75/822649875.db2.gz VRXFRZSGBBVONC-KDURUIRLSA-N 1 0 383.536 4.067 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CCSCc2ccccn2)cc1 ZINC000048323260 822653644 /nfs/dbraw/zinc/65/36/44/822653644.db2.gz VXBNWELHIRKQRG-IBGZPJMESA-N 1 0 397.588 4.396 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CCSCc2ccccn2)C1 ZINC000048323684 822653864 /nfs/dbraw/zinc/65/38/64/822653864.db2.gz CSDQAFFEWYLGJM-LJQANCHMSA-N 1 0 397.588 4.253 20 0 GIADRO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C1CCN(C(=O)c2ccccc2)CC1)CC3 ZINC000180280971 822654238 /nfs/dbraw/zinc/65/42/38/822654238.db2.gz RYHJZYBESKXLET-HXUWFJFHSA-N 1 0 387.527 4.228 20 0 GIADRO Cc1ccnn1-c1ccccc1NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000184549323 822655538 /nfs/dbraw/zinc/65/55/38/822655538.db2.gz RMRRDMAVLZNJDJ-UHFFFAOYSA-N 1 0 395.551 4.301 20 0 GIADRO Cc1c2cc(Cl)ccc2sc1CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000455452978 822657266 /nfs/dbraw/zinc/65/72/66/822657266.db2.gz JQALIYDMMWDJDF-GOOCMWNKSA-N 1 0 377.941 4.288 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000180293645 822657662 /nfs/dbraw/zinc/65/76/62/822657662.db2.gz BKJLVMNWZOYNKM-UHFFFAOYSA-N 1 0 388.515 4.088 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(NC(=O)NC(C)C)cc1)c1ccccc1 ZINC000048381739 822657943 /nfs/dbraw/zinc/65/79/43/822657943.db2.gz LCAWYVHWDXJCHG-NRFANRHFSA-N 1 0 396.535 4.029 20 0 GIADRO CC(C)[N@H+](C)Cc1cccc(CN[C@@H](c2cnn(C)c2)c2cccc(F)c2)c1 ZINC000180298808 822659038 /nfs/dbraw/zinc/65/90/38/822659038.db2.gz OOEUGPKCNOSBLH-HSZRJFAPSA-N 1 0 380.511 4.279 20 0 GIADRO Cc1cc(NC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)n(Cc2ccccc2)n1 ZINC000180299993 822659401 /nfs/dbraw/zinc/65/94/01/822659401.db2.gz WOPCCZVLNIKILJ-AZUAARDMSA-N 1 0 395.551 4.014 20 0 GIADRO CCC(CC)[C@@H]1C[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCCC2)CCO1 ZINC000180300309 822659464 /nfs/dbraw/zinc/65/94/64/822659464.db2.gz VEEBDCMZSLYZDR-VXKWHMMOSA-N 1 0 387.568 4.065 20 0 GIADRO Cc1nc(C(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c(-c2ccccc2)o1 ZINC000184572776 822659476 /nfs/dbraw/zinc/65/94/76/822659476.db2.gz RSHOHZPUWFZAHM-IBGZPJMESA-N 1 0 381.520 4.234 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)Nc2ccccc2-n2nccc2C)CC1 ZINC000184584311 822661364 /nfs/dbraw/zinc/66/13/64/822661364.db2.gz PETXDWHOSDCCDM-UHFFFAOYSA-N 1 0 383.540 4.157 20 0 GIADRO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1ccc(C(=O)c2cc[nH]c2)cc1 ZINC000180317444 822662463 /nfs/dbraw/zinc/66/24/63/822662463.db2.gz UBUYERZTFGPDMB-UHFFFAOYSA-N 1 0 387.483 4.136 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000180319509 822662815 /nfs/dbraw/zinc/66/28/15/822662815.db2.gz JUIKOWIZKSWQNC-FGZHOGPDSA-N 1 0 396.510 4.025 20 0 GIADRO CCN(CC)[C@@H](C[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)c1ccco1 ZINC000180325697 822663555 /nfs/dbraw/zinc/66/35/55/822663555.db2.gz HIXIPSZSMPOIBV-ABHNRTSZSA-N 1 0 379.545 4.088 20 0 GIADRO CSc1ccc([C@H](CNC(=O)Nc2ncc(Cl)cc2C)[NH+](C)C)cc1 ZINC000455486155 822663831 /nfs/dbraw/zinc/66/38/31/822663831.db2.gz YNRBIHSFOIQORC-INIZCTEOSA-N 1 0 378.929 4.190 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)Nc2cccc(-c3ncco3)c2C)c1 ZINC000455489832 822664789 /nfs/dbraw/zinc/66/47/89/822664789.db2.gz MPNZJAWHLACJMO-UHFFFAOYSA-N 1 0 378.476 4.423 20 0 GIADRO CSCC[C@@H]([NH2+]CCCOc1c(C)cccc1C)c1nnc2ccccn21 ZINC000184608802 822665104 /nfs/dbraw/zinc/66/51/04/822665104.db2.gz REETYTSWIFAWBZ-GOSISDBHSA-N 1 0 384.549 4.199 20 0 GIADRO Cc1c(NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)cccc1-c1ncco1 ZINC000455493198 822665329 /nfs/dbraw/zinc/66/53/29/822665329.db2.gz RRSOPGAZPVSHQM-UHFFFAOYSA-N 1 0 396.466 4.385 20 0 GIADRO Cc1cc(C)c(NC(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)c(C)n1 ZINC000455493492 822665352 /nfs/dbraw/zinc/66/53/52/822665352.db2.gz MEIVAPAEWQOLGK-KRWDZBQOSA-N 1 0 394.441 4.450 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Nc1cccc(-c2ncco2)c1C)c1ccco1 ZINC000455494118 822665530 /nfs/dbraw/zinc/66/55/30/822665530.db2.gz UDRMFJOKHJEMQD-GOSISDBHSA-N 1 0 382.464 4.448 20 0 GIADRO C[C@@H](CNC(=O)Nc1cccc(NC(=O)c2ccccc2)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000048479697 822666443 /nfs/dbraw/zinc/66/64/43/822666443.db2.gz AJEBUPVFJYHLHI-MSOLQXFVSA-N 1 0 394.519 4.181 20 0 GIADRO CCCCOc1ccc([C@H](C)[NH2+]Cc2cc(=O)n3cccc(C)c3n2)cc1OC ZINC000180346992 822667485 /nfs/dbraw/zinc/66/74/85/822667485.db2.gz OOCLGYRELSVZSV-KRWDZBQOSA-N 1 0 395.503 4.041 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)Nc2cccc(OCC#N)c2)cc1 ZINC000048509193 822668801 /nfs/dbraw/zinc/66/88/01/822668801.db2.gz BVBFSNBFUBXAGE-SFHVURJKSA-N 1 0 392.503 4.285 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(C)n(-c3cccc(Cl)c3)n2)[C@H](C)C1 ZINC000180353485 822668771 /nfs/dbraw/zinc/66/87/71/822668771.db2.gz CMPRTUVLKFQKGL-RDTXWAMCSA-N 1 0 389.931 4.028 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCC1)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000184636476 822669353 /nfs/dbraw/zinc/66/93/53/822669353.db2.gz UHTQLZFXSMYXTA-ZWKOTPCHSA-N 1 0 388.433 4.120 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCC1)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000184636496 822669384 /nfs/dbraw/zinc/66/93/84/822669384.db2.gz UHTQLZFXSMYXTA-ROUUACIJSA-N 1 0 388.433 4.120 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000180357358 822669858 /nfs/dbraw/zinc/66/98/58/822669858.db2.gz PPCZUVOWGPDVSF-GMAHTHKFSA-N 1 0 392.547 4.133 20 0 GIADRO Cc1cc(C)c(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c(C)n1 ZINC000455530994 822671262 /nfs/dbraw/zinc/67/12/62/822671262.db2.gz RZFWZGAKHFASFF-HXUWFJFHSA-N 1 0 380.536 4.429 20 0 GIADRO Cc1ccccc1CNc1ccccc1NC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000180379187 822672587 /nfs/dbraw/zinc/67/25/87/822672587.db2.gz VQTRLOCRKZNHCR-QHCPKHFHSA-N 1 0 393.531 4.189 20 0 GIADRO Cc1ccccc1CNc1ccccc1NC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000180379208 822672717 /nfs/dbraw/zinc/67/27/17/822672717.db2.gz VQTRLOCRKZNHCR-HSZRJFAPSA-N 1 0 393.531 4.189 20 0 GIADRO COc1ccc([C@@H](C[NH2+][C@H](C)c2cccc(OC(F)F)c2)N(C)C)cc1OC ZINC000180380088 822672919 /nfs/dbraw/zinc/67/29/19/822672919.db2.gz XJJOCEFDDIOIHR-RDTXWAMCSA-N 1 0 394.462 4.259 20 0 GIADRO COc1ccc([C@H](C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)N(C)C)cc1OC ZINC000180381727 822673052 /nfs/dbraw/zinc/67/30/52/822673052.db2.gz JOBOTUNFHIKFOZ-UXHICEINSA-N 1 0 396.531 4.343 20 0 GIADRO O=C(N[C@@H](Cc1ccccc1)c1cccs1)NC1CC[NH+](C2CCC2)CC1 ZINC000455557663 822674447 /nfs/dbraw/zinc/67/44/47/822674447.db2.gz JHUYOFSFDAABPU-FQEVSTJZSA-N 1 0 383.561 4.348 20 0 GIADRO CC(C)c1csc([C@@H]2CCCN(C(=O)NC3CC[NH+](C4CCC4)CC3)C2)n1 ZINC000455556898 822674476 /nfs/dbraw/zinc/67/44/76/822674476.db2.gz IGTIXVNUOYLJHL-MRXNPFEDSA-N 1 0 390.597 4.172 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)c2cc(C)n(-c3ccc(C)cc3)n2)CC1 ZINC000180393091 822674862 /nfs/dbraw/zinc/67/48/62/822674862.db2.gz JOBATNLCFKYNFF-UHFFFAOYSA-N 1 0 382.552 4.073 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)N(Cc1ccc(F)cc1Cl)CC1CC1 ZINC000455567307 822675770 /nfs/dbraw/zinc/67/57/70/822675770.db2.gz SUJBGMJFRLVZRE-UHFFFAOYSA-N 1 0 393.934 4.418 20 0 GIADRO COc1cc(Cl)cc(C[NH+]2CCC(OCCc3ccccc3)CC2)c1O ZINC000184682720 822675839 /nfs/dbraw/zinc/67/58/39/822675839.db2.gz KEKDNFIWFZWAGP-UHFFFAOYSA-N 1 0 375.896 4.278 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2cc(F)cc(F)c2F)[C@@H]1c1cccs1 ZINC000455567795 822675930 /nfs/dbraw/zinc/67/59/30/822675930.db2.gz PIFXCPDEZOWSNU-PIGZYNQJSA-N 1 0 383.439 4.370 20 0 GIADRO O=C(NNc1cc[nH+]cc1)c1ccc(-c2ccc(Br)s2)s1 ZINC000180402410 822675944 /nfs/dbraw/zinc/67/59/44/822675944.db2.gz YVYXIPFEVHSEQN-UHFFFAOYSA-N 1 0 380.292 4.391 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1cc(F)cc(F)c1F ZINC000455568113 822675954 /nfs/dbraw/zinc/67/59/54/822675954.db2.gz QBKBHTSUWQTSBG-GUYCJALGSA-N 1 0 377.410 4.136 20 0 GIADRO CC(C)[NH+]1CCC(N[C@H](C)c2ccc(OC[C@H]3CCCCO3)c(F)c2)CC1 ZINC000180402122 822675988 /nfs/dbraw/zinc/67/59/88/822675988.db2.gz CDIVQVCGNQKUAS-YLJYHZDGSA-N 1 0 378.532 4.297 20 0 GIADRO CN(C(=O)Nc1cc(F)cc(F)c1F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000455571576 822676504 /nfs/dbraw/zinc/67/65/04/822676504.db2.gz YBGGVRCTBGARNU-UHFFFAOYSA-N 1 0 377.410 4.232 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000455571098 822676522 /nfs/dbraw/zinc/67/65/22/822676522.db2.gz YGRJXGJJWOGHNF-INIZCTEOSA-N 1 0 395.469 4.221 20 0 GIADRO COc1cc(Cl)cc(C[NH+]2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)c1O ZINC000184687744 822676537 /nfs/dbraw/zinc/67/65/37/822676537.db2.gz UCBHGFXVEMFBHU-CYBMUJFWSA-N 1 0 398.931 4.179 20 0 GIADRO COCc1cc([C@H](C)[NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)ccc1OC ZINC000180410220 822677035 /nfs/dbraw/zinc/67/70/35/822677035.db2.gz UOOAKYPRXFZGEB-SFHVURJKSA-N 1 0 396.531 4.319 20 0 GIADRO CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2SC(C)C)C1 ZINC000180410982 822677318 /nfs/dbraw/zinc/67/73/18/822677318.db2.gz VDAUTTDLDSAYDB-OAHLLOKOSA-N 1 0 399.398 4.298 20 0 GIADRO COc1cc(Cl)cc(C[NH+]2CCC([C@H](O)c3ccc(F)cc3)CC2)c1O ZINC000184691366 822677414 /nfs/dbraw/zinc/67/74/14/822677414.db2.gz YNEYRJRJGYXCNQ-LJQANCHMSA-N 1 0 379.859 4.139 20 0 GIADRO COc1ccc(CC[NH2+][C@@H]2CCc3[nH]c4ccc(C)cc4c3C2)c(OC)c1OC ZINC000180416018 822678070 /nfs/dbraw/zinc/67/80/70/822678070.db2.gz VKOAASMODDRGHR-QGZVFWFLSA-N 1 0 394.515 4.192 20 0 GIADRO CCCC[C@H]1CCC[C@@H]1[NH2+]Cc1nc(C(C)(C)NC(=O)OC(C)(C)C)no1 ZINC000184696540 822678071 /nfs/dbraw/zinc/67/80/71/822678071.db2.gz BHGNKWCZXNYVMZ-GJZGRUSLSA-N 1 0 380.533 4.278 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1c(F)cccc1Cl ZINC000180427486 822679891 /nfs/dbraw/zinc/67/98/91/822679891.db2.gz UQYSABSUWKJJHZ-UHFFFAOYSA-N 1 0 375.875 4.253 20 0 GIADRO Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)[NH2+]CCn1cccn1 ZINC000180428745 822680137 /nfs/dbraw/zinc/68/01/37/822680137.db2.gz IQTHTKGQLHQMQQ-GFCCVEGCSA-N 1 0 391.338 4.428 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]1SCCc2ccccc21 ZINC000180428811 822680140 /nfs/dbraw/zinc/68/01/40/822680140.db2.gz OTJYMJSFVSCGMV-JOCHJYFZSA-N 1 0 395.572 4.177 20 0 GIADRO CN(C)c1c(Cl)cccc1NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000048739747 822680534 /nfs/dbraw/zinc/68/05/34/822680534.db2.gz WBDONOSZNIKZSZ-UHFFFAOYSA-N 1 0 386.927 4.192 20 0 GIADRO CC1CC[NH+](C[C@H]2CCCN(C(=O)N[C@@H](c3ccccc3)C(F)F)C2)CC1 ZINC000455595379 822680897 /nfs/dbraw/zinc/68/08/97/822680897.db2.gz JPOPBRPQPDVMFL-MJGOQNOKSA-N 1 0 379.495 4.146 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(Br)c(C3CC3)n2)C[C@H]1C ZINC000455600725 822681900 /nfs/dbraw/zinc/68/19/00/822681900.db2.gz RINAXJLIOSJESC-TZMCWYRMSA-N 1 0 395.345 4.058 20 0 GIADRO C[C@H](CN[C@@H](c1ccc(F)cc1)c1ccccc1Cl)C[NH+]1CCN(C)CC1 ZINC000180438203 822681964 /nfs/dbraw/zinc/68/19/64/822681964.db2.gz OOOSFXLXHTUYNT-VGSWGCGISA-N 1 0 389.946 4.042 20 0 GIADRO COCCC1(C[NH2+][C@H](C)C(=O)Nc2ccccc2OC(F)F)CCCCC1 ZINC000184726116 822682771 /nfs/dbraw/zinc/68/27/71/822682771.db2.gz BOTXHKTWAICSAR-OAHLLOKOSA-N 1 0 384.467 4.192 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)CCc1cc(F)ccc1F ZINC000180442513 822682801 /nfs/dbraw/zinc/68/28/01/822682801.db2.gz RIZSPRRRJYXUEO-UHFFFAOYSA-N 1 0 387.474 4.058 20 0 GIADRO COc1ccc(C[NH2+]Cc2cccc(NC(=O)c3cccc(F)c3)c2)cc1OC ZINC000048781457 822682836 /nfs/dbraw/zinc/68/28/36/822682836.db2.gz BWEHQEMLNCFENL-UHFFFAOYSA-N 1 0 394.446 4.385 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000048780263 822682878 /nfs/dbraw/zinc/68/28/78/822682878.db2.gz UJCGWCJKFXYSAM-GOSISDBHSA-N 1 0 394.540 4.455 20 0 GIADRO CC1(C(=O)N[C@H]2CCCOc3ccccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000184728564 822682966 /nfs/dbraw/zinc/68/29/66/822682966.db2.gz KIMGDSLEEVRTAT-NRFANRHFSA-N 1 0 378.516 4.319 20 0 GIADRO C[C@H](Cc1ccccc1F)C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180445191 822683237 /nfs/dbraw/zinc/68/32/37/822683237.db2.gz BTISNCMJVYDUAV-GOSISDBHSA-N 1 0 383.511 4.164 20 0 GIADRO c1ccc2c(c1)C1C[C@@H](C[NH2+]Cc3cnc(N4CCCC4)nc3)C2c2ccccc21 ZINC000048786392 822683314 /nfs/dbraw/zinc/68/33/14/822683314.db2.gz YTQJFSHECLFBQZ-CCYWVKEMSA-N 1 0 396.538 4.464 20 0 GIADRO CC(C)Oc1ccccc1CC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180445829 822683359 /nfs/dbraw/zinc/68/33/59/822683359.db2.gz GJNCOMYMYKUFIC-UHFFFAOYSA-N 1 0 395.547 4.176 20 0 GIADRO C[N@H+](CCCCNC(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1)C1CC1 ZINC000455609105 822683815 /nfs/dbraw/zinc/68/38/15/822683815.db2.gz KIXMIKGJNBNODI-MRXNPFEDSA-N 1 0 383.458 4.079 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1)c1nccn1C ZINC000180447761 822683833 /nfs/dbraw/zinc/68/38/33/822683833.db2.gz BUVGYAGROQVCFP-MORSLUCNSA-N 1 0 378.923 4.477 20 0 GIADRO Cc1ccc2c(n1)OCCN2C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000180448757 822684076 /nfs/dbraw/zinc/68/40/76/822684076.db2.gz LDRQQUNOGGIZTO-UHFFFAOYSA-N 1 0 387.483 4.061 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)N[C@@H](c2ccccc2)C(F)F)CC1 ZINC000455610212 822684093 /nfs/dbraw/zinc/68/40/93/822684093.db2.gz BESXFACLCPQPMA-FQEVSTJZSA-N 1 0 387.474 4.299 20 0 GIADRO CC(=O)Nc1cccc(OCC[NH2+][C@H](C)c2sc(-c3cccnc3)nc2C)c1 ZINC000180450378 822684527 /nfs/dbraw/zinc/68/45/27/822684527.db2.gz PCQAOYIOUCATAT-CQSZACIVSA-N 1 0 396.516 4.202 20 0 GIADRO CC[N@H+](CCC1CCN(C(=O)Nc2cc(C)c3nccn3c2)CC1)CC1CC1 ZINC000455614444 822684627 /nfs/dbraw/zinc/68/46/27/822684627.db2.gz CTBWNLBSJWGFIS-UHFFFAOYSA-N 1 0 383.540 4.009 20 0 GIADRO O=C(N[C@H](c1ccccc1)C(F)F)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000455615205 822684742 /nfs/dbraw/zinc/68/47/42/822684742.db2.gz FXGFIFFFYYWHHS-NFBKMPQASA-N 1 0 399.485 4.300 20 0 GIADRO O=C(Nc1cccc(C2CC2)n1)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000455623798 822685921 /nfs/dbraw/zinc/68/59/21/822685921.db2.gz WYURTGCLOCXWKD-IFMALSPDSA-N 1 0 390.531 4.477 20 0 GIADRO CCCN(Cc1ccccc1Br)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000455624927 822686101 /nfs/dbraw/zinc/68/61/01/822686101.db2.gz WXVFWHZWVJELFK-UHFFFAOYSA-N 1 0 396.373 4.245 20 0 GIADRO COc1ccc(NC(=O)C[C@@H](C)[NH2+]CCCc2cccc(Cl)c2)c(OC)c1 ZINC000180462207 822686491 /nfs/dbraw/zinc/68/64/91/822686491.db2.gz ZZVUCUJJNWWZJQ-OAHLLOKOSA-N 1 0 390.911 4.297 20 0 GIADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)Nc3cc(Cl)ccc3OC(F)(F)F)C2)C1 ZINC000455631880 822686995 /nfs/dbraw/zinc/68/69/95/822686995.db2.gz AICBDPZZVAPFMH-MRXNPFEDSA-N 1 0 391.821 4.188 20 0 GIADRO C[C@@H]1C[C@H](c2cccnc2)N(C(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC000184776117 822689309 /nfs/dbraw/zinc/68/93/09/822689309.db2.gz XIQKUEPLTSRKFK-NQSCKRDGSA-N 1 0 381.495 4.042 20 0 GIADRO COc1ccc(C(C)(C)C[NH2+][C@H](c2cnn(C)c2)c2cccc(F)c2)cc1OC ZINC000180490401 822690382 /nfs/dbraw/zinc/69/03/82/822690382.db2.gz GXTIMLZYIXEDDX-QFIPXVFZSA-N 1 0 397.494 4.233 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCc1ccc(Cl)cn1 ZINC000180490994 822690575 /nfs/dbraw/zinc/69/05/75/822690575.db2.gz DYTDBPCTSRAHAJ-INIZCTEOSA-N 1 0 386.927 4.109 20 0 GIADRO C[C@@H](CNC(=O)NCc1cccc(COCc2ccco2)c1)[N@@H+]1CCCC[C@@H]1C ZINC000049038782 822691564 /nfs/dbraw/zinc/69/15/64/822691564.db2.gz AGBSSOQFCNCWDY-OALUTQOASA-N 1 0 399.535 4.059 20 0 GIADRO CC[NH+](CC)CC1CCN(C(=O)c2cccc(OCc3c(C)noc3C)c2)CC1 ZINC000049076185 822692420 /nfs/dbraw/zinc/69/24/20/822692420.db2.gz DPHWCDPYIJXWHK-UHFFFAOYSA-N 1 0 399.535 4.064 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)Nc1ccc([C@@H]2CCOC2)cc1 ZINC000455656900 822692733 /nfs/dbraw/zinc/69/27/33/822692733.db2.gz CDSVNVSCVMYMPT-DENIHFKCSA-N 1 0 393.531 4.319 20 0 GIADRO O[C@@H](C[C@@H]1CCCCC[N@@H+]1Cc1c[nH]nc1-c1cccnc1)c1cccs1 ZINC000180509410 822693754 /nfs/dbraw/zinc/69/37/54/822693754.db2.gz ZZIQQHZNIAHYJD-OALUTQOASA-N 1 0 382.533 4.402 20 0 GIADRO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1CC(=O)N(Cc1cccc(F)c1)C(C)(C)C ZINC000180511043 822694193 /nfs/dbraw/zinc/69/41/93/822694193.db2.gz AVNNARVTPVPBRC-IBGZPJMESA-N 1 0 386.515 4.130 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cccc(NC(=O)c2ccc(OC)cc2)c1 ZINC000180513501 822694414 /nfs/dbraw/zinc/69/44/14/822694414.db2.gz KQYXZUSGBPDLAQ-YADHBBJMSA-N 1 0 393.531 4.006 20 0 GIADRO C[C@@H](NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C)c1cccc(OC(F)F)c1 ZINC000049195068 822694819 /nfs/dbraw/zinc/69/48/19/822694819.db2.gz VQLNNRCNCZYBKQ-WBMJQRKESA-N 1 0 383.464 4.013 20 0 GIADRO Cn1cc([C@@H]([NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)c2cccc(F)c2)cn1 ZINC000180519611 822695241 /nfs/dbraw/zinc/69/52/41/822695241.db2.gz AIQZKODFKRVYGW-MOPGFXCFSA-N 1 0 394.277 4.279 20 0 GIADRO C[NH+](C)CCn1nccc1NC(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000455673546 822697263 /nfs/dbraw/zinc/69/72/63/822697263.db2.gz XTJORXCWSROBNN-LJQANCHMSA-N 1 0 383.540 4.111 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(F)c(Br)cc2C)[C@H](C)C1 ZINC000184838688 822698157 /nfs/dbraw/zinc/69/81/57/822698157.db2.gz CHODDXFJRBXLDA-MLGOLLRUSA-N 1 0 386.309 4.091 20 0 GIADRO C[NH+](C)Cc1ccc(C(=O)Nc2ccn(-c3cccc(C(F)(F)F)c3)n2)cc1 ZINC000180542150 822699125 /nfs/dbraw/zinc/69/91/25/822699125.db2.gz QBVCGYMDFVYGEM-UHFFFAOYSA-N 1 0 388.393 4.205 20 0 GIADRO C[C@H]([NH2+]C[C@@H](c1ccco1)N1CCCC1)c1ccc(Br)cc1O ZINC000184845283 822699369 /nfs/dbraw/zinc/69/93/69/822699369.db2.gz URQXECIGFCJYIA-BBRMVZONSA-N 1 0 379.298 4.235 20 0 GIADRO C[NH+](C)C1(CN[C@H](c2ccccc2)c2ccc(OC(F)F)cc2)CCOCC1 ZINC000180543765 822699491 /nfs/dbraw/zinc/69/94/91/822699491.db2.gz PSNUARPZKLFUSY-HXUWFJFHSA-N 1 0 390.474 4.078 20 0 GIADRO Cc1oc(-c2ccco2)nc1CC(=O)N[C@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000184850235 822699981 /nfs/dbraw/zinc/69/99/81/822699981.db2.gz QHSWNBZFYFZCCC-HXUWFJFHSA-N 1 0 395.503 4.058 20 0 GIADRO O=C1c2ccccc2C(=O)N1CCC[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000180547590 822699989 /nfs/dbraw/zinc/69/99/89/822699989.db2.gz WOHOZYOKRKOPSI-QGZVFWFLSA-N 1 0 394.368 4.095 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)Nc2ccc(C3CCC3)cn2)CC1 ZINC000455684227 822700358 /nfs/dbraw/zinc/70/03/58/822700358.db2.gz YPRAYTPXKRJQRP-UHFFFAOYSA-N 1 0 378.520 4.477 20 0 GIADRO Cc1ccc([C@H](CNC(=O)c2cc(Br)ccc2Cl)[NH+](C)C)cc1 ZINC000049407872 822700431 /nfs/dbraw/zinc/70/04/31/822700431.db2.gz PLEMRSQWIKOURS-KRWDZBQOSA-N 1 0 395.728 4.444 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(Oc2ccccc2)o1 ZINC000180554810 822701362 /nfs/dbraw/zinc/70/13/62/822701362.db2.gz UNJDTXGARJIUKB-UHFFFAOYSA-N 1 0 377.444 4.113 20 0 GIADRO Cc1nc(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c(-c2ccccc2)o1 ZINC000184863208 822702551 /nfs/dbraw/zinc/70/25/51/822702551.db2.gz JLHLEDUSEWLVJH-HKUYNNGSSA-N 1 0 381.520 4.377 20 0 GIADRO CCC[C@H]1C[C@H](C(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CCO1 ZINC000180566526 822703560 /nfs/dbraw/zinc/70/35/60/822703560.db2.gz DOWOOILKFLNWHO-NHAYFPRASA-N 1 0 396.934 4.183 20 0 GIADRO Cc1c(Cl)cncc1NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000455696161 822704777 /nfs/dbraw/zinc/70/47/77/822704777.db2.gz OCGPCRRQNXUQGM-MSOLQXFVSA-N 1 0 384.911 4.029 20 0 GIADRO Cc1ccc(C)c([C@@H](NC2CC[NH+](C[C@@H]3CCOC3)CC2)c2ccccc2)c1 ZINC000180575804 822705087 /nfs/dbraw/zinc/70/50/87/822705087.db2.gz HCTQHHHXWBCKCM-OFVILXPXSA-N 1 0 378.560 4.483 20 0 GIADRO Cc1ccc(F)c(Br)c1NC(=O)NCCCCC[NH+]1CCCC1 ZINC000455697091 822705292 /nfs/dbraw/zinc/70/52/92/822705292.db2.gz POPFMYVXISWPJH-UHFFFAOYSA-N 1 0 386.309 4.284 20 0 GIADRO CSCCCC[NH2+][C@@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000180578088 822705506 /nfs/dbraw/zinc/70/55/06/822705506.db2.gz WSWDSMAUQRXZKX-FQEVSTJZSA-N 1 0 377.575 4.221 20 0 GIADRO CCc1ccc([C@H]([NH2+]CCCCSC)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000180578431 822705509 /nfs/dbraw/zinc/70/55/09/822705509.db2.gz LLVWEIVLVJKXTL-NRFANRHFSA-N 1 0 391.602 4.475 20 0 GIADRO O[C@@H](C[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1)COc1cccc2[nH]ccc21 ZINC000180580826 822705962 /nfs/dbraw/zinc/70/59/62/822705962.db2.gz ZBBJXIUZRDUOAK-YJBOKZPZSA-N 1 0 396.384 4.330 20 0 GIADRO CCCN(CC[NH+]1CCCC1)C(=O)Nc1c(C)ccc(F)c1Br ZINC000455700219 822706104 /nfs/dbraw/zinc/70/61/04/822706104.db2.gz VBXVBTYQODCTHM-UHFFFAOYSA-N 1 0 386.309 4.236 20 0 GIADRO CC(=O)N(c1ccc(NC(=O)NCCC[NH+](C(C)C)C(C)C)cc1)[C@H]1C[C@H]1C ZINC000455704684 822707809 /nfs/dbraw/zinc/70/78/09/822707809.db2.gz RITVIWFEXORFJI-UTKZUKDTSA-N 1 0 388.556 4.078 20 0 GIADRO Cn1cc(NC(=O)NCCC[N@@H+]2CCc3ccccc3C2)c(C2CCCCC2)n1 ZINC000455707253 822708717 /nfs/dbraw/zinc/70/87/17/822708717.db2.gz FAOHDUXUKRVRGV-UHFFFAOYSA-N 1 0 395.551 4.038 20 0 GIADRO COC(=O)Nc1ccc(NC(=O)c2oc3ccccc3c2C[NH+](C)C)cc1F ZINC000180600629 822708824 /nfs/dbraw/zinc/70/88/24/822708824.db2.gz JBGKHWIERLBPGC-UHFFFAOYSA-N 1 0 385.395 4.064 20 0 GIADRO C[N@@H+]1CCCC[C@H]1CCSc1nnc(-c2cccnc2)n1Cc1ccccc1 ZINC000049775735 822708841 /nfs/dbraw/zinc/70/88/41/822708841.db2.gz BUUGILRYVHJHJH-FQEVSTJZSA-N 1 0 393.560 4.355 20 0 GIADRO C[C@@H]([NH2+]CCOCC(F)(F)F)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000180601170 822709034 /nfs/dbraw/zinc/70/90/34/822709034.db2.gz VXPFSIAQZKMJHS-CYBMUJFWSA-N 1 0 384.373 4.308 20 0 GIADRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Nc2ccccc2OCCF)C1 ZINC000455709533 822709451 /nfs/dbraw/zinc/70/94/51/822709451.db2.gz CJPFVERYFDOMHQ-ZWKOTPCHSA-N 1 0 377.504 4.153 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)N3CCC[C@@H]3Cc3ccccc3)c2)CC1 ZINC000184898024 822709584 /nfs/dbraw/zinc/70/95/84/822709584.db2.gz HXGNHVVCVJPKTB-HSZRJFAPSA-N 1 0 392.547 4.068 20 0 GIADRO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)Nc1cn(C)nc1C1CCCCC1 ZINC000455711179 822709787 /nfs/dbraw/zinc/70/97/87/822709787.db2.gz BBDHWAALRNAWLZ-KRWDZBQOSA-N 1 0 383.540 4.110 20 0 GIADRO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000180603992 822710049 /nfs/dbraw/zinc/71/00/49/822710049.db2.gz YXOOCBLSRXCLQR-CTNGQTDRSA-N 1 0 383.467 4.309 20 0 GIADRO CCN(C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)[C@H](C)c1cccc(OC)c1 ZINC000049798225 822710177 /nfs/dbraw/zinc/71/01/77/822710177.db2.gz RBJPFNZTSDTEEI-IIBYNOLFSA-N 1 0 387.499 4.230 20 0 GIADRO O[C@@H](C[C@H]1CCC[N@@H+]1Cc1cccc(OCc2ccccn2)c1)c1ccco1 ZINC000180604842 822710378 /nfs/dbraw/zinc/71/03/78/822710378.db2.gz DYMAHLGDDVHPBH-IRLDBZIGSA-N 1 0 378.472 4.342 20 0 GIADRO O[C@@H](C[C@@H]1CCC[N@@H+]1Cc1cccc(OCc2ccccn2)c1)c1ccco1 ZINC000180604862 822710391 /nfs/dbraw/zinc/71/03/91/822710391.db2.gz DYMAHLGDDVHPBH-UNMCSNQZSA-N 1 0 378.472 4.342 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(N2CCCC2=O)cc1)c1cc(Br)ccc1O ZINC000184905056 822710848 /nfs/dbraw/zinc/71/08/48/822710848.db2.gz HRNGBDVUCRDSEK-CYBMUJFWSA-N 1 0 389.293 4.132 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)N3CC[C@@H](c4ccccc4)[C@@H]3C)c2)CC1 ZINC000184909342 822711554 /nfs/dbraw/zinc/71/15/54/822711554.db2.gz JNLSKLFZUXTUHG-WMZHIEFXSA-N 1 0 392.547 4.238 20 0 GIADRO C[C@@H](NC(=O)Nc1nc(CC(F)(F)F)cs1)[C@H](c1ccccc1)[NH+](C)C ZINC000455721447 822713500 /nfs/dbraw/zinc/71/35/00/822713500.db2.gz KDCMTJOAEMZEBW-BXUZGUMPSA-N 1 0 386.443 4.061 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)N3CCC[C@]4(CC=CCC4)C3)c2)CC1 ZINC000184924618 822713910 /nfs/dbraw/zinc/71/39/10/822713910.db2.gz AOYAHFADMGXCFK-HSZRJFAPSA-N 1 0 382.552 4.183 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)N3CCc4ccc(Cl)cc4C3)c2)CC1 ZINC000184927366 822714505 /nfs/dbraw/zinc/71/45/05/822714505.db2.gz QKGHHPOOKFZZJL-UHFFFAOYSA-N 1 0 398.938 4.072 20 0 GIADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)Nc2nc(CC(F)(F)F)cs2)C1 ZINC000455727213 822715003 /nfs/dbraw/zinc/71/50/03/822715003.db2.gz POHQNWDEHXBKJN-CHWSQXEVSA-N 1 0 392.491 4.128 20 0 GIADRO CC1CCN(C(=O)C2CC[NH+](Cc3ccc(SC(F)F)cc3)CC2)CC1 ZINC000050031292 822715105 /nfs/dbraw/zinc/71/51/05/822715105.db2.gz PUWBTFCDBZNHAA-UHFFFAOYSA-N 1 0 382.520 4.472 20 0 GIADRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)Nc1ccccc1N1CCCC1 ZINC000050051059 822716099 /nfs/dbraw/zinc/71/60/99/822716099.db2.gz SEACKROPUHYSOV-GOSISDBHSA-N 1 0 398.576 4.382 20 0 GIADRO Cc1cc(N(C)C)ccc1NC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000050055587 822716299 /nfs/dbraw/zinc/71/62/99/822716299.db2.gz MCRNJKSUAMHIHD-KRWDZBQOSA-N 1 0 386.565 4.156 20 0 GIADRO Cc1sc([C@H](C)[NH2+][C@H](C)CN2CCOCC2)nc1-c1ccc(Cl)cc1 ZINC000184949101 822717292 /nfs/dbraw/zinc/71/72/92/822717292.db2.gz NIELMXJHTVJGGO-KGLIPLIRSA-N 1 0 379.957 4.143 20 0 GIADRO Cc1cc2ccccc2c(NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000455741913 822718008 /nfs/dbraw/zinc/71/80/08/822718008.db2.gz MNRWZUUSSWMCCD-YADHBBJMSA-N 1 0 381.520 4.038 20 0 GIADRO C[C@@H]([NH2+]CC[C@H]1CCOC1=O)c1nc(-c2ccc(Br)cc2)cs1 ZINC000184960080 822718778 /nfs/dbraw/zinc/71/87/78/822718778.db2.gz TWMNUDMVJXOBES-YPMHNXCESA-N 1 0 395.322 4.176 20 0 GIADRO CCCn1ncc(NC(=O)N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)c1C1CC1 ZINC000455748061 822719116 /nfs/dbraw/zinc/71/91/16/822719116.db2.gz GTBIPPIXOZAHGL-JXFKEZNVSA-N 1 0 383.540 4.292 20 0 GIADRO CC(=O)c1cccc(NC(=O)C[NH2+][C@@H](Cc2ccccc2)c2cccs2)c1 ZINC000184969148 822719671 /nfs/dbraw/zinc/71/96/71/822719671.db2.gz BJAQGHJTHGIHDA-FQEVSTJZSA-N 1 0 378.497 4.463 20 0 GIADRO Cc1ccc(F)c(Br)c1NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000455754911 822720198 /nfs/dbraw/zinc/72/01/98/822720198.db2.gz QWKLKIXGFGUVBX-UHFFFAOYSA-N 1 0 386.309 4.281 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[NH2+][C@@H](Cc2ccccc2)c2cccs2)c1 ZINC000184973362 822720215 /nfs/dbraw/zinc/72/02/15/822720215.db2.gz DLZZZDFHRJYEAV-IBGZPJMESA-N 1 0 396.512 4.277 20 0 GIADRO CC1CC[NH+]([C@H](CNC(=O)N2CCC[C@@H]2c2ccncc2)c2ccccc2)CC1 ZINC000050157078 822720594 /nfs/dbraw/zinc/72/05/94/822720594.db2.gz CSHLCMITAPCHLQ-DHIUTWEWSA-N 1 0 392.547 4.401 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)C[NH2+][C@@H](Cc2ccccc2)c2cccs2)c1 ZINC000184979668 822721083 /nfs/dbraw/zinc/72/10/83/822721083.db2.gz KKRFFSNAFAVGNR-FQEVSTJZSA-N 1 0 393.512 4.219 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)N(C)C[C@@H](C)c2nccs2)[NH+]2CCCC2)cc1 ZINC000184986528 822722168 /nfs/dbraw/zinc/72/21/68/822722168.db2.gz ZFAXZEZFFXJJIQ-IEBWSBKVSA-N 1 0 386.565 4.034 20 0 GIADRO O=C(C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1)Nc1ccc2c(c1)OCCCO2 ZINC000050273731 822723236 /nfs/dbraw/zinc/72/32/36/822723236.db2.gz ATEHJZDUCJUGJD-NRFANRHFSA-N 1 0 386.879 4.181 20 0 GIADRO C[C@@H]([NH2+]C[C@@H]1CCN(c2ccccc2)C1)c1ccc(Br)cc1O ZINC000184998843 822723573 /nfs/dbraw/zinc/72/35/73/822723573.db2.gz GRGMEPKHRBOKAK-CABCVRRESA-N 1 0 375.310 4.332 20 0 GIADRO O=C(C[NH2+][C@@H](Cc1ccccc1)c1cccs1)N1CCC[C@H](C(F)(F)F)C1 ZINC000184998020 822723630 /nfs/dbraw/zinc/72/36/30/822723630.db2.gz KGAZHRZGDURNKE-IRXDYDNUSA-N 1 0 396.478 4.422 20 0 GIADRO CCOc1ccc(Cl)c(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000455773734 822724044 /nfs/dbraw/zinc/72/40/44/822724044.db2.gz NDPZYCRJVSMMKJ-QGZVFWFLSA-N 1 0 377.872 4.290 20 0 GIADRO CC(C)Oc1cccc(NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000455779003 822725108 /nfs/dbraw/zinc/72/51/08/822725108.db2.gz IDZNUAQKFQYSGL-SFTDATJTSA-N 1 0 393.531 4.460 20 0 GIADRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)Nc1ncc(C2CCOCC2)s1 ZINC000455792967 822727586 /nfs/dbraw/zinc/72/75/86/822727586.db2.gz RCVSQNZCQZGERX-SJORKVTESA-N 1 0 394.585 4.059 20 0 GIADRO COc1cccc(CN(CC[NH+](C)C)C(=O)Nc2ccc(C(=O)C(C)C)cc2)c1 ZINC000455798117 822728510 /nfs/dbraw/zinc/72/85/10/822728510.db2.gz PBCXCMVMKKHXFF-UHFFFAOYSA-N 1 0 397.519 4.130 20 0 GIADRO CCCNC(=O)c1cccc(C[NH2+][C@H](C)c2ccc(Br)cc2O)c1 ZINC000185048652 822729132 /nfs/dbraw/zinc/72/91/32/822729132.db2.gz NOFZATYKAHABCM-CYBMUJFWSA-N 1 0 391.309 4.145 20 0 GIADRO CC(F)(F)c1ccccc1NC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000455808476 822730198 /nfs/dbraw/zinc/73/01/98/822730198.db2.gz NMZKLRDPDLLMSR-SFHVURJKSA-N 1 0 387.474 4.484 20 0 GIADRO Cn1cc(-c2cc(C[NH2+][C@@H](c3cccc(C(F)(F)F)c3)C3CC3)on2)cn1 ZINC000185057822 822730457 /nfs/dbraw/zinc/73/04/57/822730457.db2.gz PEEPUPWGLOVFJD-GOSISDBHSA-N 1 0 376.382 4.335 20 0 GIADRO C[NH+](C)CCCOc1ccc(CNC(=O)Nc2ccccc2C(C)(F)F)cc1 ZINC000455811964 822730759 /nfs/dbraw/zinc/73/07/59/822730759.db2.gz SBGISXGOEZSOLC-UHFFFAOYSA-N 1 0 391.462 4.451 20 0 GIADRO CN(C[C@@H]1OCCc2ccccc21)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455836158 822734129 /nfs/dbraw/zinc/73/41/29/822734129.db2.gz ASZCLQSRSFQRLD-YADHBBJMSA-N 1 0 379.504 4.013 20 0 GIADRO CCCn1ncc(NC(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c1C1CC1 ZINC000455836606 822734304 /nfs/dbraw/zinc/73/43/04/822734304.db2.gz USFPBBBDQNVPDK-APWZRJJASA-N 1 0 381.524 4.128 20 0 GIADRO Cc1ccc(-c2ccc(C[NH2+]Cc3cccc(N4CCCS4(=O)=O)c3)o2)cc1 ZINC000185092230 822735966 /nfs/dbraw/zinc/73/59/66/822735966.db2.gz KMHVSMQSDDJNJH-UHFFFAOYSA-N 1 0 396.512 4.085 20 0 GIADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1scnc1C(C)C ZINC000455852225 822737088 /nfs/dbraw/zinc/73/70/88/822737088.db2.gz VLXPGHXZKKHPSE-KRWDZBQOSA-N 1 0 387.553 4.180 20 0 GIADRO CN1CCC[C@@H](NC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)c2ccccc21 ZINC000455852990 822737347 /nfs/dbraw/zinc/73/73/47/822737347.db2.gz MHOCBXVIKUQSDL-RTWAWAEBSA-N 1 0 378.520 4.328 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CC[C@@]4(C3)CCc3ccccc3O4)ccc21 ZINC000455853999 822737482 /nfs/dbraw/zinc/73/74/82/822737482.db2.gz MUGVYYGFHAQURG-ZJSXRUAMSA-N 1 0 391.515 4.237 20 0 GIADRO CC[C@H]([NH2+]C[C@H](O)COC(c1ccccc1)c1ccccc1)c1nccs1 ZINC000185105934 822737883 /nfs/dbraw/zinc/73/78/83/822737883.db2.gz OBSUCGCVEORUAU-PMACEKPBSA-N 1 0 382.529 4.351 20 0 GIADRO CCOc1cc2c(cc1NC(=O)Nc1ccc3c(c1)CC[C@@H]3[NH+](C)C)OCCO2 ZINC000455856672 822738000 /nfs/dbraw/zinc/73/80/00/822738000.db2.gz NZBKZLWBMMEMJU-SFHVURJKSA-N 1 0 397.475 4.049 20 0 GIADRO COC[C@@H](NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)c1cccc(Cl)c1 ZINC000455858280 822738190 /nfs/dbraw/zinc/73/81/90/822738190.db2.gz PGSYMOYUVMYXSF-UXHICEINSA-N 1 0 387.911 4.398 20 0 GIADRO C[C@](O)(C[NH2+]Cc1ccc(OCc2ccncc2)cc1)c1cccc(Cl)c1 ZINC000185111033 822738374 /nfs/dbraw/zinc/73/83/74/822738374.db2.gz GLKDKAQDQOMXQC-QFIPXVFZSA-N 1 0 382.891 4.311 20 0 GIADRO CSc1ccc([C@H](CNC(=O)Nc2scnc2C(C)C)[NH+](C)C)cc1 ZINC000455867759 822739747 /nfs/dbraw/zinc/73/97/47/822739747.db2.gz PGVNRXFLFCVOPP-HNNXBMFYSA-N 1 0 378.567 4.413 20 0 GIADRO CC(C)c1ncsc1NC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000455869070 822739865 /nfs/dbraw/zinc/73/98/65/822739865.db2.gz QOFRAPFUXCTWLK-QZTJIDSGSA-N 1 0 384.549 4.252 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N[C@H]3CCc4cc(F)c(F)c(F)c43)ccc21 ZINC000455870334 822740137 /nfs/dbraw/zinc/74/01/37/822740137.db2.gz XGWQLGSJBHJAKY-DLBZAZTESA-N 1 0 389.421 4.462 20 0 GIADRO CCCN(CCc1cccs1)C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185129530 822740674 /nfs/dbraw/zinc/74/06/74/822740674.db2.gz PGKOHWDHLQXCDF-MSOLQXFVSA-N 1 0 377.598 4.365 20 0 GIADRO C[C@@H]1CN(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C[C@H](c2ccsc2)O1 ZINC000455876135 822741040 /nfs/dbraw/zinc/74/10/40/822741040.db2.gz BCHFQWQMCSDIKV-VOBQZIQPSA-N 1 0 385.533 4.291 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCc3ccc(Br)cc3)ccc21 ZINC000455891622 822743372 /nfs/dbraw/zinc/74/33/72/822743372.db2.gz BWYQTIGWKMSIRF-GOSISDBHSA-N 1 0 388.309 4.320 20 0 GIADRO COCCCOc1cccc(NC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)c1 ZINC000455891711 822743415 /nfs/dbraw/zinc/74/34/15/822743415.db2.gz BXZDNDBAYCVWEX-NRFANRHFSA-N 1 0 383.492 4.295 20 0 GIADRO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)c2nnc(-c3cccc(C)c3)o2)C1 ZINC000051054410 822745025 /nfs/dbraw/zinc/74/50/25/822745025.db2.gz CQNRFEHCCUHGTI-JENIJYKNSA-N 1 0 384.524 4.123 20 0 GIADRO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC2CCN(C(=O)C(C)(C)C)CC2)c1 ZINC000185169988 822745139 /nfs/dbraw/zinc/74/51/39/822745139.db2.gz QDEVSJKEBKFOQJ-FQEVSTJZSA-N 1 0 388.552 4.125 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)NCCCOCCc3ccccc3)ccc21 ZINC000455902865 822745388 /nfs/dbraw/zinc/74/53/88/822745388.db2.gz GKKVLJMVWYNATM-QFIPXVFZSA-N 1 0 381.520 4.006 20 0 GIADRO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000051062035 822745762 /nfs/dbraw/zinc/74/57/62/822745762.db2.gz XHRZOMLFAYPJIE-INIZCTEOSA-N 1 0 375.513 4.078 20 0 GIADRO COCCN(CCCc1ccccc1)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455904283 822745753 /nfs/dbraw/zinc/74/57/53/822745753.db2.gz HCEUQYDJXSXIJO-HSZRJFAPSA-N 1 0 395.547 4.349 20 0 GIADRO COCCN(C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)[C@H](C)c1ccccc1 ZINC000455905414 822746078 /nfs/dbraw/zinc/74/60/78/822746078.db2.gz HMFCZXQWUPOGEQ-VGOFRKELSA-N 1 0 381.520 4.477 20 0 GIADRO COc1ccc(OC)c([C@@H](O)C[N@@H+]2CCC[C@@H]2c2nc3ccccc3s2)c1 ZINC000051117800 822746696 /nfs/dbraw/zinc/74/66/96/822746696.db2.gz ZXJNNWJDIQUIIE-MSOLQXFVSA-N 1 0 384.501 4.184 20 0 GIADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000185185964 822747023 /nfs/dbraw/zinc/74/70/23/822747023.db2.gz IJGMVWIFHFVWFM-IRXDYDNUSA-N 1 0 380.454 4.121 20 0 GIADRO COc1cc(C[NH2+][C@@H]2CCCO[C@@H]2CC(C)C)ccc1OCc1ccncc1 ZINC000185198825 822748234 /nfs/dbraw/zinc/74/82/34/822748234.db2.gz HCFIZYFOWONMAS-IFMALSPDSA-N 1 0 384.520 4.353 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)NC[C@H](c3ccccc3)C(C)(C)CO)ccc21 ZINC000455915496 822748513 /nfs/dbraw/zinc/74/85/13/822748513.db2.gz KDKUVHXYROEJFE-YADHBBJMSA-N 1 0 395.547 4.159 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC[C@@H](c3ccccc3)C(C)(C)CO)ccc21 ZINC000455915485 822748526 /nfs/dbraw/zinc/74/85/26/822748526.db2.gz KDKUVHXYROEJFE-FCHUYYIVSA-N 1 0 395.547 4.159 20 0 GIADRO C[C@@H]1CN(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C[C@H](c2ccccc2)O1 ZINC000455918306 822749145 /nfs/dbraw/zinc/74/91/45/822749145.db2.gz LAYYKPBAMPYIFX-NPFVIJTESA-N 1 0 379.504 4.229 20 0 GIADRO FC(F)(F)c1ccccc1N1CC[C@H]([NH2+]Cc2ccc(N3CCCC3)nc2)C1 ZINC000185205269 822749367 /nfs/dbraw/zinc/74/93/67/822749367.db2.gz FANSCXYYQWSHPI-KRWDZBQOSA-N 1 0 390.453 4.069 20 0 GIADRO COc1cc(C[NH2+][C@@H]2c3ccccc3C[C@@H]2O)ccc1OCc1ccccc1 ZINC000051188172 822749870 /nfs/dbraw/zinc/74/98/70/822749870.db2.gz QWVLSXUELPJFJV-XUZZJYLKSA-N 1 0 375.468 4.022 20 0 GIADRO CC[C@@H]([NH2+][C@@H](C)Cc1c(C)nn(C)c1C)c1cc(Br)ccc1O ZINC000185213013 822749968 /nfs/dbraw/zinc/74/99/68/822749968.db2.gz BREGXADRQWTPOX-APPDUMDISA-N 1 0 380.330 4.177 20 0 GIADRO COc1ccccc1[C@H]1CCN(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1 ZINC000455922524 822750020 /nfs/dbraw/zinc/75/00/20/822750020.db2.gz MEHSPXBLPVNDNR-UWJYYQICSA-N 1 0 379.504 4.266 20 0 GIADRO COc1ccccc1[C@H]1CCN(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1 ZINC000455922522 822750052 /nfs/dbraw/zinc/75/00/52/822750052.db2.gz MEHSPXBLPVNDNR-LAUBAEHRSA-N 1 0 379.504 4.266 20 0 GIADRO CC(C)(C)OC(=O)NC[C@H]([NH2+]Cc1coc(-c2c(F)cccc2F)n1)C1CC1 ZINC000185218380 822750446 /nfs/dbraw/zinc/75/04/46/822750446.db2.gz ZSOWGNTWHJMBFO-INIZCTEOSA-N 1 0 393.434 4.013 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCCOCc3ccc(Cl)cc3)ccc21 ZINC000455926784 822750798 /nfs/dbraw/zinc/75/07/98/822750798.db2.gz NHHLIEVOZJBLBY-HXUWFJFHSA-N 1 0 387.911 4.227 20 0 GIADRO C[N@H+](Cc1ccccc1)[C@@H](CNCc1csc(-c2ccccn2)n1)C1CC1 ZINC000185222826 822751063 /nfs/dbraw/zinc/75/10/63/822751063.db2.gz VWSPPEOGFDFZQI-NRFANRHFSA-N 1 0 378.545 4.205 20 0 GIADRO CC(C)O[C@H]1C[C@@H]([NH2+]Cc2cccc(NC(=O)NCc3ccncc3)c2)C1(C)C ZINC000185225359 822751459 /nfs/dbraw/zinc/75/14/59/822751459.db2.gz NKYHFHDCLYJLMI-RTWAWAEBSA-N 1 0 396.535 4.085 20 0 GIADRO CCOc1ccc2c(c1)CCN(C(=O)Nc1ccc3c(c1)CC[C@H]3[NH+](C)C)C2 ZINC000455935295 822752843 /nfs/dbraw/zinc/75/28/43/822752843.db2.gz RKDGPECDAQFYFG-JOCHJYFZSA-N 1 0 379.504 4.224 20 0 GIADRO C[C@@H]1CC[C@H](C)CN1C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000455940442 822753912 /nfs/dbraw/zinc/75/39/12/822753912.db2.gz HVQVNQVSTJICOT-LSDHHAIUSA-N 1 0 379.932 4.465 20 0 GIADRO CC[C@H]1[C@@H](C)CCN1C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000455941146 822754047 /nfs/dbraw/zinc/75/40/47/822754047.db2.gz IWMCSOXVNVOJQE-KSSFIOAISA-N 1 0 379.932 4.465 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cc(COC(C)(C)C)on3)cc2)C1 ZINC000185245919 822754238 /nfs/dbraw/zinc/75/42/38/822754238.db2.gz OHCRITGMSINFMH-MRXNPFEDSA-N 1 0 385.508 4.474 20 0 GIADRO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)C[C@@H](C)Cc1ccc(OC)c(F)c1 ZINC000185245938 822754242 /nfs/dbraw/zinc/75/42/42/822754242.db2.gz YPJNMIFNDYZAJP-KRWDZBQOSA-N 1 0 386.511 4.237 20 0 GIADRO CSCC[C@@H](C)N(C)C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000455942250 822754388 /nfs/dbraw/zinc/75/43/88/822754388.db2.gz KFYBWSGEVPJNMX-CQSZACIVSA-N 1 0 399.988 4.418 20 0 GIADRO O=C(Nc1ccccc1)C1CC[NH+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000051286518 822754506 /nfs/dbraw/zinc/75/45/06/822754506.db2.gz CBHCMIVVYFOPIN-LJQANCHMSA-N 1 0 392.421 4.090 20 0 GIADRO COc1ccc(C[C@@H](C)C[N@@H+]2CCc3c(cccc3N3CCOC3=O)C2)cc1F ZINC000185254876 822755193 /nfs/dbraw/zinc/75/51/93/822755193.db2.gz ZQXATVHJXXFXHK-MRXNPFEDSA-N 1 0 398.478 4.028 20 0 GIADRO CC(C)COC[C@H](NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)c1ccco1 ZINC000455945561 822755416 /nfs/dbraw/zinc/75/54/16/822755416.db2.gz WJLWLMJZRPTQPA-PMACEKPBSA-N 1 0 385.508 4.364 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)N(CC2CC2)CC2CC2)CC1 ZINC000455946343 822755688 /nfs/dbraw/zinc/75/56/88/822755688.db2.gz PVDRBYZGZGTMHT-UHFFFAOYSA-N 1 0 391.943 4.467 20 0 GIADRO CCOc1cc(C[N@H+](C)C[C@@H](O)c2c(F)cccc2F)ccc1OC(F)F ZINC000051323856 822756068 /nfs/dbraw/zinc/75/60/68/822756068.db2.gz ODEMBHDBZXMRKC-OAHLLOKOSA-N 1 0 387.373 4.130 20 0 GIADRO C[C@@H]([NH2+][C@H](Cc1ccccc1)C(=O)N1CCCC1)c1ccc2ccccc2c1O ZINC000185260683 822756123 /nfs/dbraw/zinc/75/61/23/822756123.db2.gz KUFFDFMIBYHJIU-WZONZLPQSA-N 1 0 388.511 4.430 20 0 GIADRO COc1cc(C[NH2+]C[C@@H](O)c2ccc(OC(F)(F)F)cc2)ccc1OC(C)C ZINC000051326226 822756198 /nfs/dbraw/zinc/75/61/98/822756198.db2.gz PGBDSKPYZDVZSR-QGZVFWFLSA-N 1 0 399.409 4.204 20 0 GIADRO C[C@@H](CNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)COCc1ccccc1 ZINC000455948291 822756250 /nfs/dbraw/zinc/75/62/50/822756250.db2.gz YEVYDGGUZFBAPL-JTSKRJEESA-N 1 0 381.520 4.210 20 0 GIADRO CC[C@@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)c1cccc(Cl)c1F ZINC000185267980 822757139 /nfs/dbraw/zinc/75/71/39/822757139.db2.gz MBNGAGQOPXFYAR-QGZVFWFLSA-N 1 0 381.854 4.091 20 0 GIADRO Cc1cc2cc([C@H](C)[NH2+]Cc3cnc(N4CCOCC4)c(F)c3)oc2cc1C ZINC000185269290 822757263 /nfs/dbraw/zinc/75/72/63/822757263.db2.gz DTUDOKCNVYMFCC-INIZCTEOSA-N 1 0 383.467 4.271 20 0 GIADRO O=[N+]([O-])c1ccc(C[NH2+]C2CCN(Cc3ccc(F)cc3)CC2)cc1Cl ZINC000185276449 822758418 /nfs/dbraw/zinc/75/84/18/822758418.db2.gz LUDKDYGXVAKEBO-UHFFFAOYSA-N 1 0 377.847 4.142 20 0 GIADRO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3cc(Cl)cc(Br)c3)CC[C@H]21 ZINC000455967914 822758767 /nfs/dbraw/zinc/75/87/67/822758767.db2.gz IQZOADGNUWGKHI-XHDPSFHLSA-N 1 0 386.721 4.051 20 0 GIADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3cc(Cl)cc(Br)c3)CC[C@@H]21 ZINC000455967903 822758774 /nfs/dbraw/zinc/75/87/74/822758774.db2.gz IQZOADGNUWGKHI-ABAIWWIYSA-N 1 0 386.721 4.051 20 0 GIADRO Cc1ncc(C[N@H+](C)C[C@H](O)CO[C@H](c2ccccc2)c2ccc(C)cc2)s1 ZINC000051408092 822758800 /nfs/dbraw/zinc/75/88/00/822758800.db2.gz CIMDZJSEYZLYGP-JTHBVZDNSA-N 1 0 396.556 4.359 20 0 GIADRO Cc1ncc(C[N@H+](C)C[C@H](O)CO[C@@H](c2ccccc2)c2ccccc2C)s1 ZINC000051408102 822758962 /nfs/dbraw/zinc/75/89/62/822758962.db2.gz JMPFIQKHDWOCOV-REWPJTCUSA-N 1 0 396.556 4.359 20 0 GIADRO O=C(Nc1ccc2cnccc2c1)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000455969048 822759018 /nfs/dbraw/zinc/75/90/18/822759018.db2.gz KPBZDPHZZZXQEY-XMMPIXPASA-N 1 0 386.499 4.365 20 0 GIADRO O=[N+]([O-])c1ccc(C[NH2+]CCc2coc(-c3ccc(F)cc3)n2)cc1Cl ZINC000185288625 822760026 /nfs/dbraw/zinc/76/00/26/822760026.db2.gz UHMZHWNFJISVOW-UHFFFAOYSA-N 1 0 375.787 4.375 20 0 GIADRO CC[C@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)c1cccc(Cl)c1F ZINC000185289025 822760170 /nfs/dbraw/zinc/76/01/70/822760170.db2.gz ADDHGRNMPQDFNO-SFHVURJKSA-N 1 0 396.915 4.260 20 0 GIADRO O=S1(=O)CCCN1c1cccc(C[NH2+]C(c2ccccc2)c2ccccc2)c1 ZINC000185290952 822760360 /nfs/dbraw/zinc/76/03/60/822760360.db2.gz NPBGECSIRRHOMJ-UHFFFAOYSA-N 1 0 392.524 4.106 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)c1ccc(-c2ccccc2)o1 ZINC000185294668 822760910 /nfs/dbraw/zinc/76/09/10/822760910.db2.gz FKQHQJSYEZOMPU-KRWDZBQOSA-N 1 0 396.512 4.337 20 0 GIADRO O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)Nc1ccc2cnccc2c1 ZINC000455983849 822761588 /nfs/dbraw/zinc/76/15/88/822761588.db2.gz PWUVISRJVGESOA-UHFFFAOYSA-N 1 0 390.487 4.031 20 0 GIADRO O=S1(=O)CCCN1c1cccc(C[NH2+][C@H](c2cccs2)C2CCCC2)c1 ZINC000185298475 822761616 /nfs/dbraw/zinc/76/16/16/822761616.db2.gz HNRYWMOEPZHMIC-FQEVSTJZSA-N 1 0 390.574 4.309 20 0 GIADRO C[C@@H](CCOc1ccccc1)C(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000174281175 822762329 /nfs/dbraw/zinc/76/23/29/822762329.db2.gz YZECHZLITBYVHL-SFHVURJKSA-N 1 0 381.520 4.236 20 0 GIADRO C[C@H]([NH2+]C[C@](C)(O)c1cccc(Cl)c1)c1ncc(Br)s1 ZINC000185304159 822762439 /nfs/dbraw/zinc/76/24/39/822762439.db2.gz AMVIZFWAELEQDE-XPTSAGLGSA-N 1 0 375.719 4.117 20 0 GIADRO Cc1cccn2c(C[NH2+]Cc3cccc(NC(=O)c4ccc(F)cc4)c3)cnc12 ZINC000174284157 822762820 /nfs/dbraw/zinc/76/28/20/822762820.db2.gz RSZUPHXKVOIQEE-UHFFFAOYSA-N 1 0 388.446 4.324 20 0 GIADRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)/C(C)=C/C(C)(C)C)CC2)c1C ZINC000185313122 822764067 /nfs/dbraw/zinc/76/40/67/822764067.db2.gz QKWNPQYNDKPSCU-DTQAZKPQSA-N 1 0 387.568 4.122 20 0 GIADRO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000455998670 822764148 /nfs/dbraw/zinc/76/41/48/822764148.db2.gz QZYIDWCDBKCBCR-ZKMOHVOUSA-N 1 0 382.935 4.470 20 0 GIADRO O=C(CC[NH+]1CCC([C@@H](O)c2ccccc2)CC1)N[C@H]1CCCc2ccccc21 ZINC000051531651 822764657 /nfs/dbraw/zinc/76/46/57/822764657.db2.gz REIWJOKFTTUPMO-ZCYQVOJMSA-N 1 0 392.543 4.016 20 0 GIADRO COc1ccc(C[C@@H](C)C[NH2+][C@@H](c2nc(-c3cccnc3)no2)C(C)C)cc1F ZINC000185317372 822764859 /nfs/dbraw/zinc/76/48/59/822764859.db2.gz NRRYFTSWDVQVPP-FOIQADDNSA-N 1 0 398.482 4.445 20 0 GIADRO C[NH+](C)CCc1ccccc1NC(=O)[C@@]1(Cc2cccc(Cl)c2)CCOC1 ZINC000456018708 822767127 /nfs/dbraw/zinc/76/71/27/822767127.db2.gz FDQDGKPUEVOQPL-JOCHJYFZSA-N 1 0 386.923 4.032 20 0 GIADRO C[NH+](C)CCc1ccccc1NC(=O)[C@]1(Cc2cccc(Cl)c2)CCOC1 ZINC000456018709 822767199 /nfs/dbraw/zinc/76/71/99/822767199.db2.gz FDQDGKPUEVOQPL-QFIPXVFZSA-N 1 0 386.923 4.032 20 0 GIADRO O=C1Nc2ccccc2C12CCC([NH2+][C@@H]1CCO[C@H](c3ccccc3)C1)CC2 ZINC000185335821 822767797 /nfs/dbraw/zinc/76/77/97/822767797.db2.gz FVXTZAPLTYCELR-ZUIALYHFSA-N 1 0 376.500 4.329 20 0 GIADRO CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2nnc(-c3ccc(Br)o3)o2)C1 ZINC000174340149 822774664 /nfs/dbraw/zinc/77/46/64/822774664.db2.gz RHVAPBSUFYKAOD-GHMZBOCLSA-N 1 0 386.315 4.198 20 0 GIADRO C[C@@H](NC(=O)N1CC[NH+](C2CCCC2)CC1)c1ccc(-c2ccncc2)cc1 ZINC000174341552 822775071 /nfs/dbraw/zinc/77/50/71/822775071.db2.gz HWZBYFJZJWSIBO-GOSISDBHSA-N 1 0 378.520 4.079 20 0 GIADRO C[C@@H](CCNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1cccc(C(F)(F)F)c1 ZINC000174364001 822778344 /nfs/dbraw/zinc/77/83/44/822778344.db2.gz IGULRSACESECPD-IRXDYDNUSA-N 1 0 397.485 4.326 20 0 GIADRO COCc1ccc(CNC(=O)C[NH2+][C@@H](Cc2ccccc2)c2ccccc2)cc1 ZINC000051797411 822778648 /nfs/dbraw/zinc/77/86/48/822778648.db2.gz MERAULSXFNWLDR-DEOSSOPVSA-N 1 0 388.511 4.023 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)cc1)C(=O)Nc1nc2ccccc2s1 ZINC000174367686 822778800 /nfs/dbraw/zinc/77/88/00/822778800.db2.gz RPGCINWBHTYLCR-LSDHHAIUSA-N 1 0 391.500 4.160 20 0 GIADRO CSc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000174367754 822778814 /nfs/dbraw/zinc/77/88/14/822778814.db2.gz SJMZSATZOUIFMY-HOTGVXAUSA-N 1 0 380.517 4.272 20 0 GIADRO COc1ccc(-c2nc(CN(C)C[C@@H]3CC[N@H+](Cc4ccccc4)C3)co2)cc1 ZINC000174396469 822784001 /nfs/dbraw/zinc/78/40/01/822784001.db2.gz KOIXGGCRGQVVGR-FQEVSTJZSA-N 1 0 391.515 4.304 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)c1cc(Cl)cc(F)c1Br ZINC000456165131 822785552 /nfs/dbraw/zinc/78/55/52/822785552.db2.gz HTCJTUGFBSCOLQ-UHFFFAOYSA-N 1 0 379.701 4.092 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)Cc1csc2ccc(Br)cc12 ZINC000456173010 822786231 /nfs/dbraw/zinc/78/62/31/822786231.db2.gz QAVDUQVXPKOMCL-UHFFFAOYSA-N 1 0 397.382 4.443 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cc(OC)ccc1OC ZINC000174412226 822786627 /nfs/dbraw/zinc/78/66/27/822786627.db2.gz PPSFEMUEEBXTLZ-LJQANCHMSA-N 1 0 397.519 4.080 20 0 GIADRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCSC[C@H]2C2CC2)c1 ZINC000456187259 822787221 /nfs/dbraw/zinc/78/72/21/822787221.db2.gz SUBHUJNLYJJLLZ-QFIPXVFZSA-N 1 0 380.557 4.286 20 0 GIADRO C[C@H](CCNC(=O)c1cc(F)cc2[nH]c(=S)[nH]c21)[N@H+](C)Cc1ccccc1 ZINC000174417398 822787287 /nfs/dbraw/zinc/78/72/87/822787287.db2.gz JGAHFIUBGGGCNZ-CYBMUJFWSA-N 1 0 386.496 4.005 20 0 GIADRO Cc1cccc(C(C)C)c1NC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000174418853 822787473 /nfs/dbraw/zinc/78/74/73/822787473.db2.gz DIDHRCWWHAYUDN-UHFFFAOYSA-N 1 0 386.584 4.190 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000456195002 822787544 /nfs/dbraw/zinc/78/75/44/822787544.db2.gz GOIHZXGUWSTZHE-UHFFFAOYSA-N 1 0 377.916 4.164 20 0 GIADRO Cc1c2cc(Br)ccc2oc1C(=O)NC(C)(C)CCC[NH+](C)C ZINC000456194248 822787584 /nfs/dbraw/zinc/78/75/84/822787584.db2.gz GDWPYXAHQYTDMV-UHFFFAOYSA-N 1 0 381.314 4.354 20 0 GIADRO COCc1cc(C[NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)ccc1F ZINC000174422429 822787780 /nfs/dbraw/zinc/78/77/80/822787780.db2.gz GDSBNBDHNJWKFJ-LJQANCHMSA-N 1 0 393.886 4.473 20 0 GIADRO c1sc(CC[NH2+]Cc2ccc(Oc3cnccn3)cc2)nc1-c1ccccn1 ZINC000174425832 822788337 /nfs/dbraw/zinc/78/83/37/822788337.db2.gz YXVOQYRMBZWYFJ-UHFFFAOYSA-N 1 0 389.484 4.120 20 0 GIADRO OCC[C@H](C[NH2+]Cc1cc(Cl)ccc1OC[C@H]1CCCO1)c1ccccc1 ZINC000174427048 822788505 /nfs/dbraw/zinc/78/85/05/822788505.db2.gz OQNQMXRRNQJBKO-WIYYLYMNSA-N 1 0 389.923 4.154 20 0 GIADRO O[C@H]1CCC[C@@H](C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)C1 ZINC000174427451 822788577 /nfs/dbraw/zinc/78/85/77/822788577.db2.gz BDCNIXYTJNEOFL-OFNKIYASSA-N 1 0 375.516 4.239 20 0 GIADRO O[C@H]1CCC[C@@H](C[NH2+]Cc2csc(-c3cccc(Br)c3)n2)C1 ZINC000174428533 822788832 /nfs/dbraw/zinc/78/88/32/822788832.db2.gz IVVPWHIQCMSGRP-WBMJQRKESA-N 1 0 381.339 4.213 20 0 GIADRO CC(C)Oc1cccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(Br)cc2O)c1 ZINC000185479230 822788985 /nfs/dbraw/zinc/78/89/85/822788985.db2.gz SKTVGHREPZFUAV-DJJJIMSYSA-N 1 0 394.309 4.326 20 0 GIADRO CC(C)Oc1cccc([C@H](O)C[NH2+][C@H](C)c2ccc(Br)cc2O)c1 ZINC000185479248 822788994 /nfs/dbraw/zinc/78/89/94/822788994.db2.gz SKTVGHREPZFUAV-BFUOFWGJSA-N 1 0 394.309 4.326 20 0 GIADRO CCC[N@H+](CC)Cc1ccc(C(=O)Nc2cc(F)c(OC)c(F)c2OC)cc1 ZINC000456250919 822790072 /nfs/dbraw/zinc/79/00/72/822790072.db2.gz LXXBPHCGJRMOKN-UHFFFAOYSA-N 1 0 392.446 4.466 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)c3ccccc3OC[C@H]3CCCO3)ccc21 ZINC000456251592 822790087 /nfs/dbraw/zinc/79/00/87/822790087.db2.gz ACNJOKLECYNKCG-NQIIRXRSSA-N 1 0 380.488 4.046 20 0 GIADRO Cc1ccc2nc(CSCC(=O)Nc3ccc4c(c3)CC[C@H]4[NH+](C)C)cn2c1 ZINC000456253557 822790374 /nfs/dbraw/zinc/79/03/74/822790374.db2.gz BIETVGUPUVCNQH-HXUWFJFHSA-N 1 0 394.544 4.064 20 0 GIADRO O=C(c1ccccc1F)N1CCC[N@H+](CC2CCC(C(F)(F)F)CC2)CC1 ZINC000185493816 822790442 /nfs/dbraw/zinc/79/04/42/822790442.db2.gz BLUSLMJZPQUUNO-UHFFFAOYSA-N 1 0 386.433 4.342 20 0 GIADRO Cc1cc(C)cc(C[NH2+]Cc2cccnc2Oc2cccc(S(C)(=O)=O)c2)c1 ZINC000174445534 822790753 /nfs/dbraw/zinc/79/07/53/822790753.db2.gz SNBQQYIOKBHVIG-UHFFFAOYSA-N 1 0 396.512 4.184 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(OC)cc1OC ZINC000174448743 822791045 /nfs/dbraw/zinc/79/10/45/822791045.db2.gz XVVQDKONDMATPE-IBGZPJMESA-N 1 0 397.519 4.080 20 0 GIADRO Cc1cnc([C@@H](NC(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)C2CC2)s1 ZINC000174452780 822791987 /nfs/dbraw/zinc/79/19/87/822791987.db2.gz YNEMZCCLAITGOF-PMACEKPBSA-N 1 0 398.576 4.347 20 0 GIADRO CC(=O)CCc1ccc(OCCC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)cc1 ZINC000456268226 822791962 /nfs/dbraw/zinc/79/19/62/822791962.db2.gz IYNZXHZAZBKEML-QHCPKHFHSA-N 1 0 394.515 4.165 20 0 GIADRO Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000456273026 822792364 /nfs/dbraw/zinc/79/23/64/822792364.db2.gz LWFQIZRKVNOXJW-NRFANRHFSA-N 1 0 375.472 4.380 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)CCC(=O)CCC(=O)c3cccs3)ccc21 ZINC000456284197 822794068 /nfs/dbraw/zinc/79/40/68/822794068.db2.gz TUVVUTMPWDGPEC-LJQANCHMSA-N 1 0 398.528 4.248 20 0 GIADRO Cc1c(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)cnn1-c1ccccc1F ZINC000456287977 822794468 /nfs/dbraw/zinc/79/44/68/822794468.db2.gz WKVGEBIRZLDCKC-FQEVSTJZSA-N 1 0 378.451 4.121 20 0 GIADRO Brc1ccc(C2([NH2+]Cc3ccc4c[nH]nc4c3)CCOCC2)cc1 ZINC000174470341 822794519 /nfs/dbraw/zinc/79/45/19/822794519.db2.gz YLVSOAFVROPXIG-UHFFFAOYSA-N 1 0 386.293 4.121 20 0 GIADRO Cc1cc(F)ccc1-c1ccc(C[NH2+]CCc2cccc(C(=O)N(C)C)c2)o1 ZINC000174471726 822794640 /nfs/dbraw/zinc/79/46/40/822794640.db2.gz FPOTYZPJPDQQLG-UHFFFAOYSA-N 1 0 380.463 4.428 20 0 GIADRO Cc1n[nH]cc1C[NH2+]C1(c2ccc(OCc3ccccc3)cc2)CCOCC1 ZINC000174471265 822794662 /nfs/dbraw/zinc/79/46/62/822794662.db2.gz VELGKRBUNJCBSJ-UHFFFAOYSA-N 1 0 377.488 4.093 20 0 GIADRO CCN(Cc1cncc(Br)c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174486387 822795864 /nfs/dbraw/zinc/79/58/64/822795864.db2.gz NKQUDFCLRCPQNK-GOSISDBHSA-N 1 0 388.353 4.188 20 0 GIADRO CCN1c2ccc(NC(=O)[C@@H](c3ccccc3)[NH+](CC)CC)cc2CCC1=O ZINC000185567408 822797235 /nfs/dbraw/zinc/79/72/35/822797235.db2.gz QOBBAUOLMISSBS-JOCHJYFZSA-N 1 0 379.504 4.007 20 0 GIADRO Cc1ccc(Sc2ncccc2C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1C ZINC000456317113 822797802 /nfs/dbraw/zinc/79/78/02/822797802.db2.gz FZPFKUGMBHMEQB-AYHJJNSGSA-N 1 0 381.545 4.205 20 0 GIADRO CCCOc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(OC2CCCC2)c1 ZINC000456326595 822798663 /nfs/dbraw/zinc/79/86/63/822798663.db2.gz GAYPDACZSGAVJT-AYHJJNSGSA-N 1 0 386.536 4.152 20 0 GIADRO COc1cccc(C(=O)CCCC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)c1 ZINC000456337453 822799867 /nfs/dbraw/zinc/79/98/67/822799867.db2.gz WWPGKNJEYDRUSH-NRFANRHFSA-N 1 0 380.488 4.236 20 0 GIADRO c1ccc2c(c1)nc(-c1ccncc1)nc2NC1CC[NH+](Cc2ccncc2)CC1 ZINC000052447917 822800069 /nfs/dbraw/zinc/80/00/69/822800069.db2.gz NJOPMCSUIXXIBN-UHFFFAOYSA-N 1 0 396.498 4.163 20 0 GIADRO C[C@H](CNC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)Cn1cccn1 ZINC000052461003 822800480 /nfs/dbraw/zinc/80/04/80/822800480.db2.gz NBIJKLNDGILWPJ-GOSISDBHSA-N 1 0 383.540 4.105 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cccnc2SCC2CCCCC2)C1 ZINC000174523319 822800563 /nfs/dbraw/zinc/80/05/63/822800563.db2.gz NDDOJRRKUJEAPY-GOSISDBHSA-N 1 0 375.582 4.168 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)NCCCC(C)(C)CO)C1CCCCC1 ZINC000174525060 822800704 /nfs/dbraw/zinc/80/07/04/822800704.db2.gz ZGQHJDBRVWGPBX-UHFFFAOYSA-N 1 0 375.557 4.371 20 0 GIADRO Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C[NH2+]C[C@](C)(O)c1ccco1 ZINC000174526641 822801183 /nfs/dbraw/zinc/80/11/83/822801183.db2.gz DAAPQOXQDVUDLS-IBGZPJMESA-N 1 0 394.302 4.137 20 0 GIADRO C[C@H]1CN(C(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000456351901 822801267 /nfs/dbraw/zinc/80/12/67/822801267.db2.gz XIWAXOKFDHTJHK-NZSAHSFTSA-N 1 0 382.470 4.336 20 0 GIADRO C[C@H]1CN(C(=O)c2cnc(-c3ccsc3)s2)CC[N@H+](Cc2ccccc2)C1 ZINC000456351861 822801314 /nfs/dbraw/zinc/80/13/14/822801314.db2.gz XEWSAJLWSYHNBD-MRXNPFEDSA-N 1 0 397.569 4.466 20 0 GIADRO C[C@H]1CN(C(=O)c2cccc([C@H]3CCCOC3)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000456352566 822801429 /nfs/dbraw/zinc/80/14/29/822801429.db2.gz YERXNPCNJONZRQ-YKSBVNFPSA-N 1 0 392.543 4.175 20 0 GIADRO CC1(C)CC(NC(=O)N(CCc2ccccc2)Cc2cccnc2)CC(C)(C)[NH2+]1 ZINC000052497309 822801868 /nfs/dbraw/zinc/80/18/68/822801868.db2.gz RFRMKKNMDMNRNI-UHFFFAOYSA-N 1 0 394.563 4.145 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)[C@H]1COc2ccccc21 ZINC000185610864 822801945 /nfs/dbraw/zinc/80/19/45/822801945.db2.gz XNTFHIJDIVRKPJ-SMDDNHRTSA-N 1 0 396.821 4.034 20 0 GIADRO O=C(CCc1ccc(-c2ccccc2F)o1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174532394 822802124 /nfs/dbraw/zinc/80/21/24/822802124.db2.gz LLHOZPKVNUFYLD-GOSISDBHSA-N 1 0 384.495 4.353 20 0 GIADRO Cn1ccnc1C[NH2+][C@@](C)(Cc1cccc(Br)c1)c1ccccc1 ZINC000174541274 822803015 /nfs/dbraw/zinc/80/30/15/822803015.db2.gz DOXKKWHJTXZPMI-FQEVSTJZSA-N 1 0 384.321 4.430 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]CC(=O)Nc1ccc(C(C)C)cc1 ZINC000185630072 822804297 /nfs/dbraw/zinc/80/42/97/822804297.db2.gz BCOHHTJAUKFVGQ-CYBMUJFWSA-N 1 0 396.457 4.475 20 0 GIADRO O=C(C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1)N(Cc1ccccc1)C1CC1 ZINC000052612494 822805111 /nfs/dbraw/zinc/80/51/11/822805111.db2.gz AGJFNESCALALPL-LJQANCHMSA-N 1 0 389.499 4.198 20 0 GIADRO Cc1ccccc1C[C@H](C)NC(=O)C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000052612183 822805167 /nfs/dbraw/zinc/80/51/67/822805167.db2.gz MHSRMBIDSSREHW-ICSRJNTNSA-N 1 0 391.515 4.063 20 0 GIADRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCC(O)(c3ccccc3)CC2)o1 ZINC000185638192 822805372 /nfs/dbraw/zinc/80/53/72/822805372.db2.gz UHACKUHDWQQMSW-UHFFFAOYSA-N 1 0 378.428 4.338 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]CC(=O)Nc1cccc(C(C)C)c1 ZINC000185640798 822805724 /nfs/dbraw/zinc/80/57/24/822805724.db2.gz WXIIGXWQEBTWRH-ZDUSSCGKSA-N 1 0 396.457 4.475 20 0 GIADRO C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cc(Br)cc(F)c1[O-] ZINC000185649150 822806500 /nfs/dbraw/zinc/80/65/00/822806500.db2.gz QGEVYRRHADHDEG-GFCCVEGCSA-N 1 0 385.321 4.351 20 0 GIADRO COC(=O)c1cc(C[NH2+][C@H](C)c2c(C)nn(CC(F)(F)F)c2C)c(C)s1 ZINC000185647854 822806607 /nfs/dbraw/zinc/80/66/07/822806607.db2.gz HJQBHKWXGBZOBZ-SECBINFHSA-N 1 0 389.443 4.070 20 0 GIADRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2cccc(C(F)(F)F)c2)cc1OC ZINC000052660272 822806642 /nfs/dbraw/zinc/80/66/42/822806642.db2.gz FVLHLTOSSQUNLI-OLZOCXBDSA-N 1 0 396.409 4.400 20 0 GIADRO COC(=O)COc1ccc([C@@H](C)[NH2+]Cc2cccc(Br)c2C)cc1 ZINC000185653033 822807003 /nfs/dbraw/zinc/80/70/03/822807003.db2.gz XYANJODOMBVYSZ-CQSZACIVSA-N 1 0 392.293 4.160 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2OC(F)F)cc1F ZINC000052710600 822807998 /nfs/dbraw/zinc/80/79/98/822807998.db2.gz QLXOTCYSBVRSLU-VXGBXAGGSA-N 1 0 382.382 4.114 20 0 GIADRO COC(=O)COc1ccc([C@H](C)[NH2+]Cc2cc(-c3ccc(C)cc3)no2)cc1 ZINC000185677658 822809133 /nfs/dbraw/zinc/80/91/33/822809133.db2.gz BTFDCBULVXYQQY-INIZCTEOSA-N 1 0 380.444 4.053 20 0 GIADRO Cc1ccccc1C(=O)NC1CC[NH+](Cc2cc(-c3ccc(F)cc3)no2)CC1 ZINC000052747649 822809322 /nfs/dbraw/zinc/80/93/22/822809322.db2.gz UYLAOUDHISGTDD-UHFFFAOYSA-N 1 0 393.462 4.184 20 0 GIADRO COCCOc1cc(C)ccc1C[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000185681732 822809555 /nfs/dbraw/zinc/80/95/55/822809555.db2.gz XDRMJEZMJDLMEZ-AWEZNQCLSA-N 1 0 394.309 4.339 20 0 GIADRO COCCOc1cc(C)ccc1C[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000185681749 822809608 /nfs/dbraw/zinc/80/96/08/822809608.db2.gz XDRMJEZMJDLMEZ-CQSZACIVSA-N 1 0 394.309 4.339 20 0 GIADRO COc1cc(C[NH2+]C[C@H](C)Oc2ccc(F)cc2)ccc1OCc1ccncc1 ZINC000174602893 822810898 /nfs/dbraw/zinc/81/08/98/822810898.db2.gz SCBBQBKYSVRWAW-KRWDZBQOSA-N 1 0 396.462 4.365 20 0 GIADRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)NCc1ccc(C(F)F)cc1 ZINC000185697504 822811153 /nfs/dbraw/zinc/81/11/53/822811153.db2.gz KXVRQRLKWNMIFP-UHFFFAOYSA-N 1 0 379.426 4.037 20 0 GIADRO O=C(NCc1ccc(C(F)F)cc1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000185698488 822811272 /nfs/dbraw/zinc/81/12/72/822811272.db2.gz RLJBAHYJSLPLTC-GOSISDBHSA-N 1 0 379.495 4.422 20 0 GIADRO CCC(=O)Nc1cccc(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)c1 ZINC000052822816 822812033 /nfs/dbraw/zinc/81/20/33/822812033.db2.gz BPTXHRHAQDVNEV-HXUWFJFHSA-N 1 0 399.922 4.255 20 0 GIADRO C[C@@H](C[NH2+]C1CCC(O)(c2cccnc2)CC1)c1cccc(Br)c1 ZINC000185704430 822812073 /nfs/dbraw/zinc/81/20/73/822812073.db2.gz KFUQJCFWUHFJRI-VMEOHVCESA-N 1 0 389.337 4.368 20 0 GIADRO O=C(c1ccc(C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)cc1)N1CCCC1 ZINC000052866157 822813271 /nfs/dbraw/zinc/81/32/71/822813271.db2.gz VFRIDNSMOPPVPS-HSZRJFAPSA-N 1 0 378.516 4.104 20 0 GIADRO O=C(c1cccc(C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)c1)N1CCCCC1 ZINC000052866879 822813319 /nfs/dbraw/zinc/81/33/19/822813319.db2.gz SUUNPHZRDFHGCC-DEOSSOPVSA-N 1 0 392.543 4.494 20 0 GIADRO CC(=O)N1CCC([NH2+]CC2(c3cccc(Br)c3)CCCCC2)CC1 ZINC000174620004 822813442 /nfs/dbraw/zinc/81/34/42/822813442.db2.gz YOVOWPGQRJXXEX-UHFFFAOYSA-N 1 0 393.369 4.252 20 0 GIADRO CC[C@@H](C)[NH+]1CCN(C(=O)c2ccc(SCc3csc(C)n3)cc2)CC1 ZINC000456543923 822814585 /nfs/dbraw/zinc/81/45/85/822814585.db2.gz FSXHOFZNRLURLR-OAHLLOKOSA-N 1 0 389.590 4.300 20 0 GIADRO CCOc1ccc(NC(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)cc1OC ZINC000174633426 822815139 /nfs/dbraw/zinc/81/51/39/822815139.db2.gz LFHJZHQFDSLMAZ-SFHVURJKSA-N 1 0 397.519 4.222 20 0 GIADRO C[C@H](O)C[C@H](C[NH2+][C@@H](C)c1cc(Br)ccc1O)c1ccccc1 ZINC000185737196 822816102 /nfs/dbraw/zinc/81/61/02/822816102.db2.gz AVMXOGWYSVVQBQ-OFQRWUPVSA-N 1 0 378.310 4.360 20 0 GIADRO C[C@H](O)C[C@@H](C[NH2+][C@@H](C)c1ccc(Br)cc1O)c1ccccc1 ZINC000185738639 822816279 /nfs/dbraw/zinc/81/62/79/822816279.db2.gz XWVAUJXROZIPCH-DZKIICNBSA-N 1 0 378.310 4.360 20 0 GIADRO CCOc1c(OC)cc(C[NH2+]C2(c3cccc(F)c3)CCOCC2)cc1OC ZINC000174646959 822817064 /nfs/dbraw/zinc/81/70/64/822817064.db2.gz FDVUWTHLQQHZRF-UHFFFAOYSA-N 1 0 389.467 4.037 20 0 GIADRO C[C@@H](NCc1coc(-c2ccc(F)c(F)c2)n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185750216 822817405 /nfs/dbraw/zinc/81/74/05/822817405.db2.gz PPMYLQFPSJIPRQ-GDBMZVCRSA-N 1 0 375.463 4.362 20 0 GIADRO C[C@@H](NCC(=O)Nc1c(Cl)cccc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185751959 822817606 /nfs/dbraw/zinc/81/76/06/822817606.db2.gz UGFOIUUYCMUXQO-KGLIPLIRSA-N 1 0 384.351 4.175 20 0 GIADRO O=C(NCc1ccc(F)cc1)C1CC[NH+](Cc2ccc(F)c3cccnc23)CC1 ZINC000053049998 822819710 /nfs/dbraw/zinc/81/97/10/822819710.db2.gz XCSNFNQDTHUGPE-UHFFFAOYSA-N 1 0 395.453 4.041 20 0 GIADRO C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000456686390 822822698 /nfs/dbraw/zinc/82/26/98/822822698.db2.gz TYUAWIILUCNOGA-LJQANCHMSA-N 1 0 392.543 4.178 20 0 GIADRO CCn1cc([C@@H](C)NC(=O)[C@H](c2cccc(C(F)(F)F)c2)[NH+](CC)CC)cn1 ZINC000456693897 822823511 /nfs/dbraw/zinc/82/35/11/822823511.db2.gz NPEGKBLLPUMXJE-KDOFPFPSSA-N 1 0 396.457 4.182 20 0 GIADRO Cc1ncc(C[N@H+](C)CCC(=O)N[C@H](c2cccs2)c2ccccc2)s1 ZINC000053145643 822823574 /nfs/dbraw/zinc/82/35/74/822823574.db2.gz OSGXFJZVULOGGJ-FQEVSTJZSA-N 1 0 385.558 4.241 20 0 GIADRO C[NH+]1CCC(Nc2ccccc2NC(=O)[C@@H]2C[C@@]23CCc2ccccc23)CC1 ZINC000174694682 822824403 /nfs/dbraw/zinc/82/44/03/822824403.db2.gz RKOHKOOMOMYJNO-GBXCKJPGSA-N 1 0 375.516 4.035 20 0 GIADRO Cc1ccc(Oc2ccccc2CC(=O)NC2CC[NH+](C3CCC3)CC2)cc1 ZINC000456703921 822824785 /nfs/dbraw/zinc/82/47/85/822824785.db2.gz RWXDIVGONLJXDB-UHFFFAOYSA-N 1 0 378.516 4.463 20 0 GIADRO Cc1ccc(-c2ccc(C[NH2+]Cc3ccc(N4CCCS4(=O)=O)cc3)o2)cc1 ZINC000185853857 822827525 /nfs/dbraw/zinc/82/75/25/822827525.db2.gz WBWWDHWMFVSXOX-UHFFFAOYSA-N 1 0 396.512 4.085 20 0 GIADRO Cc1nc(COc2cccc(C(=O)NCC3([NH+](C)C)CCCCC3)c2)cs1 ZINC000053266817 822828399 /nfs/dbraw/zinc/82/83/99/822828399.db2.gz SYSRVRKJXNJARM-UHFFFAOYSA-N 1 0 387.549 4.025 20 0 GIADRO Cc1oc(-c2cccs2)nc1CC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000053304013 822829680 /nfs/dbraw/zinc/82/96/80/822829680.db2.gz SNTGWNCETKMHOL-HUUCEWRRSA-N 1 0 389.565 4.127 20 0 GIADRO Cc1oc2ccccc2c1CNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000185885327 822829976 /nfs/dbraw/zinc/82/99/76/822829976.db2.gz XKBNJHAPFHWKCR-INIZCTEOSA-N 1 0 392.503 4.161 20 0 GIADRO C[C@@H](C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1)c1cn(C)c2ccccc12 ZINC000185893993 822830629 /nfs/dbraw/zinc/83/06/29/822830629.db2.gz NMJKRSDFRPBTFL-GOSISDBHSA-N 1 0 390.531 4.062 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)Cc2ccc(F)cc2)CC1 ZINC000456786855 822830770 /nfs/dbraw/zinc/83/07/70/822830770.db2.gz PZGOUQISQLTQSS-UHFFFAOYSA-N 1 0 376.859 4.133 20 0 GIADRO COCC1=CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)CC1 ZINC000185895406 822830886 /nfs/dbraw/zinc/83/08/86/822830886.db2.gz WQYVJBXEDFKDRN-UHFFFAOYSA-N 1 0 389.499 4.326 20 0 GIADRO C[C@@H](C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1)c1cccnc1 ZINC000174740840 822830911 /nfs/dbraw/zinc/83/09/11/822830911.db2.gz XBYOXFLNKIUBIU-HXUWFJFHSA-N 1 0 379.548 4.036 20 0 GIADRO C[C@@H](c1ccncc1)[N@H+](C)Cc1cc(Br)cc(Br)c1N ZINC000185898074 822831155 /nfs/dbraw/zinc/83/11/55/822831155.db2.gz PEADCLIMBZYPNM-JTQLQIEISA-N 1 0 399.130 4.382 20 0 GIADRO CCC(=O)Nc1cccc(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000053358969 822831671 /nfs/dbraw/zinc/83/16/71/822831671.db2.gz FVJUKXSTNKRXLJ-SFHVURJKSA-N 1 0 393.531 4.197 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)Cc2ccc(Cl)cn2)CC1 ZINC000456797967 822832097 /nfs/dbraw/zinc/83/20/97/822832097.db2.gz XYLYAROEUMFQBJ-UHFFFAOYSA-N 1 0 394.302 4.043 20 0 GIADRO Cc1cc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)ccc1Br ZINC000174752087 822832397 /nfs/dbraw/zinc/83/23/97/822832397.db2.gz ZFMXMWDBKAXAFL-CVEARBPZSA-N 1 0 380.330 4.237 20 0 GIADRO CCc1cccc(Oc2ccc(NC(=O)N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C)cn2)c1 ZINC000174780600 822836077 /nfs/dbraw/zinc/83/60/77/822836077.db2.gz ROJZERUPOUODHQ-MOPGFXCFSA-N 1 0 380.492 4.137 20 0 GIADRO Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)NCc2ccc(C[NH+](C)C)cc2)cc1 ZINC000174781854 822836416 /nfs/dbraw/zinc/83/64/16/822836416.db2.gz MSJKGVAHCYRRDK-PKTZIBPZSA-N 1 0 395.547 4.024 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)Nc1cccc(C[NH+](C)C)c1)OC(C)C ZINC000185952124 822836556 /nfs/dbraw/zinc/83/65/56/822836556.db2.gz LEJGXQPAEOVMIN-NRFANRHFSA-N 1 0 385.508 4.045 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H](c1nc(C)cs1)C1CC1 ZINC000174785679 822836659 /nfs/dbraw/zinc/83/66/59/822836659.db2.gz HBGZOXIQIBZBGT-LJQANCHMSA-N 1 0 386.565 4.244 20 0 GIADRO Cc1ccc([C@@H](O)C[NH+]2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)cc1 ZINC000174789166 822837144 /nfs/dbraw/zinc/83/71/44/822837144.db2.gz TUZOIIHMRQUMIV-FQEVSTJZSA-N 1 0 390.886 4.172 20 0 GIADRO C[C@H](OCc1ccccc1)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000185957584 822837359 /nfs/dbraw/zinc/83/73/59/822837359.db2.gz CQBOEDVRPSNDAS-JTAQYXEDSA-N 1 0 380.532 4.103 20 0 GIADRO Fc1ccc(C[NH+]2CCC(NC(=S)Nc3ccc4c(c3)CCC4)CC2)cc1 ZINC000053520094 822838578 /nfs/dbraw/zinc/83/85/78/822838578.db2.gz HDMFYNPIGYRUFY-UHFFFAOYSA-N 1 0 383.536 4.265 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1ccc(Cl)s1 ZINC000174799693 822838837 /nfs/dbraw/zinc/83/88/37/822838837.db2.gz XLMQIZREEJJKSC-MRXNPFEDSA-N 1 0 377.941 4.065 20 0 GIADRO CC(C)CC(=O)Nc1ccc(NC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)cc1 ZINC000174804751 822839581 /nfs/dbraw/zinc/83/95/81/822839581.db2.gz SMJFVWCERARXBL-FQEVSTJZSA-N 1 0 386.540 4.057 20 0 GIADRO CC1CC[NH+]([C@H](CNC(=O)N(C)Cc2ccsc2)c2cccs2)CC1 ZINC000053537145 822839634 /nfs/dbraw/zinc/83/96/34/822839634.db2.gz YFKDXVDROAMFIS-QGZVFWFLSA-N 1 0 377.579 4.424 20 0 GIADRO CC[N@@H+]1CCC[C@H]1CNC(=S)N[C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000053539587 822839690 /nfs/dbraw/zinc/83/96/90/822839690.db2.gz IMRUFVLPDVRNJS-RDJZCZTQSA-N 1 0 388.606 4.128 20 0 GIADRO O=C(Nc1cccc(SC(F)F)c1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000174806923 822839998 /nfs/dbraw/zinc/83/99/98/822839998.db2.gz GSSIPQBBUVYBJB-UHFFFAOYSA-N 1 0 399.507 4.110 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)Nc2cc(C(C)(C)C)nn2Cc2ccccc2)CC[N@@H+]1C ZINC000174809142 822840449 /nfs/dbraw/zinc/84/04/49/822840449.db2.gz OIMPVKWFBIMCMJ-IEBWSBKVSA-N 1 0 397.567 4.175 20 0 GIADRO COc1ccc([C@@H](C)NC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1F ZINC000053548489 822840596 /nfs/dbraw/zinc/84/05/96/822840596.db2.gz OHHWBIKUVIHGRE-RHSMWYFYSA-N 1 0 391.512 4.093 20 0 GIADRO CC[C@H]([NH2+]CCC(=O)Nc1ccc(F)cc1)c1nc(C(F)(F)F)cs1 ZINC000185981308 822840624 /nfs/dbraw/zinc/84/06/24/822840624.db2.gz SLONSMVQIAEIER-LBPRGKRZSA-N 1 0 375.391 4.371 20 0 GIADRO C[C@@H]1CCN(C(=O)Nc2cccc(-c3cc[nH]n3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000185983629 822840872 /nfs/dbraw/zinc/84/08/72/822840872.db2.gz QGGFTVAWJKDOFV-GOSISDBHSA-N 1 0 389.503 4.205 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=S)Nc1ccc(OC)cc1)c1cccc(OC)c1 ZINC000053584704 822841734 /nfs/dbraw/zinc/84/17/34/822841734.db2.gz MQRIZSKFWUPBAQ-FQEVSTJZSA-N 1 0 387.549 4.073 20 0 GIADRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2ccc(-c3cncnc3)cc2F)c1 ZINC000185993644 822841976 /nfs/dbraw/zinc/84/19/76/822841976.db2.gz ZVPDPCLNYQJGFE-UHFFFAOYSA-N 1 0 392.478 4.053 20 0 GIADRO CC(C)c1nc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)no1 ZINC000053602296 822842128 /nfs/dbraw/zinc/84/21/28/822842128.db2.gz GQXPTXKGLFGDBC-UHFFFAOYSA-N 1 0 376.504 4.100 20 0 GIADRO NC(=O)c1ccc(-c2nc(C[N@@H+]3CCC[C@H]3Cc3ccccc3)cs2)cc1 ZINC000053606449 822842575 /nfs/dbraw/zinc/84/25/75/822842575.db2.gz ZEDWXQLROLQONU-FQEVSTJZSA-N 1 0 377.513 4.116 20 0 GIADRO NC(=O)c1ccc(-c2nc(C[N@@H+]3CCC[C@H]3Cc3cccc(F)c3)cs2)cc1 ZINC000053610484 822842751 /nfs/dbraw/zinc/84/27/51/822842751.db2.gz CTIBUKHARDLDSC-FQEVSTJZSA-N 1 0 395.503 4.255 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)N(C)C2CCN(CC(F)(F)F)CC2)cc1)C(C)C ZINC000456939098 822843044 /nfs/dbraw/zinc/84/30/44/822843044.db2.gz QPGBYHXPPKJYTQ-UHFFFAOYSA-N 1 0 399.501 4.016 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1ccccc1C(F)(F)F ZINC000186032449 822845644 /nfs/dbraw/zinc/84/56/44/822845644.db2.gz HGONNAQWHQHYEX-CQSZACIVSA-N 1 0 398.450 4.096 20 0 GIADRO C[C@@H](C(=O)Nc1cccnc1Cl)[N@H+](C)CCCOc1cccc(Cl)c1 ZINC000053741769 822846835 /nfs/dbraw/zinc/84/68/35/822846835.db2.gz UHEFZHAVUDOSMW-ZDUSSCGKSA-N 1 0 382.291 4.116 20 0 GIADRO Cc1nc(-c2ccccc2)oc1C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000174856073 822847107 /nfs/dbraw/zinc/84/71/07/822847107.db2.gz ILUDNDVDSMXTHQ-HKUYNNGSSA-N 1 0 381.520 4.377 20 0 GIADRO COc1ccc(N2CCC[N@H+](Cc3cc(=O)oc4cc(C)c(C)cc34)CC2)cc1 ZINC000053772568 822847448 /nfs/dbraw/zinc/84/74/48/822847448.db2.gz DWILMSZGBXHOLM-UHFFFAOYSA-N 1 0 392.499 4.131 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@@H]1c1csc(C)n1)c1ccccc1 ZINC000186051760 822847549 /nfs/dbraw/zinc/84/75/49/822847549.db2.gz IWSMXUAEWJGWPD-WOJBJXKFSA-N 1 0 386.565 4.381 20 0 GIADRO C[C@H](c1nc2ccccc2s1)[N@H+](C)CCC(=O)NC(=O)Nc1ccccc1 ZINC000053782357 822847969 /nfs/dbraw/zinc/84/79/69/822847969.db2.gz YBYGDDGAWYODSR-CQSZACIVSA-N 1 0 382.489 4.028 20 0 GIADRO CN(C(=O)c1ccc2c(c1)CCCCC2=O)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457064767 822849295 /nfs/dbraw/zinc/84/92/95/822849295.db2.gz GZTIZMBLOIUUHO-UHFFFAOYSA-N 1 0 396.453 4.085 20 0 GIADRO Cc1cc(C(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)c2nccc(C)c2c1 ZINC000457069625 822849761 /nfs/dbraw/zinc/84/97/61/822849761.db2.gz NNVYAMIEXCPQDZ-UHFFFAOYSA-N 1 0 393.453 4.340 20 0 GIADRO Cc1nc2ccccc2cc1C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457070950 822849914 /nfs/dbraw/zinc/84/99/14/822849914.db2.gz PTUKVBJQCIVBIT-UHFFFAOYSA-N 1 0 379.426 4.032 20 0 GIADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)C1 ZINC000457078027 822850518 /nfs/dbraw/zinc/85/05/18/822850518.db2.gz AIDHOVUAJZPYJL-AWEZNQCLSA-N 1 0 396.409 4.400 20 0 GIADRO Cc1csc([C@@H](NC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)C2CC2)n1 ZINC000174890105 822851360 /nfs/dbraw/zinc/85/13/60/822851360.db2.gz KZYRQEDZVNCUDN-YJBOKZPZSA-N 1 0 386.565 4.331 20 0 GIADRO COc1ccsc1[C@H](C)[NH2+]C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000186108204 822852332 /nfs/dbraw/zinc/85/23/32/822852332.db2.gz NXPZICOLMMWZOY-LBPRGKRZSA-N 1 0 385.455 4.490 20 0 GIADRO CN(C(=O)[C@H]1CCSc2ccccc21)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457089938 822852402 /nfs/dbraw/zinc/85/24/02/822852402.db2.gz UDVDGLNNBLWYDR-INIZCTEOSA-N 1 0 386.483 4.141 20 0 GIADRO Cc1c(C(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)sc2nccc(C)c12 ZINC000457092280 822852479 /nfs/dbraw/zinc/85/24/79/822852479.db2.gz WYDDKXPYGFYAAU-UHFFFAOYSA-N 1 0 399.482 4.402 20 0 GIADRO C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@H]2C(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)o1 ZINC000457093018 822852738 /nfs/dbraw/zinc/85/27/38/822852738.db2.gz XYYICIWEXLFWFF-BSWAZPDLSA-N 1 0 398.469 4.382 20 0 GIADRO COc1ccc(C(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)c2ccccc12 ZINC000457093917 822852923 /nfs/dbraw/zinc/85/29/23/822852923.db2.gz YZEKTRUNBFZGNJ-UHFFFAOYSA-N 1 0 394.437 4.337 20 0 GIADRO CC(C)[C@@H](C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)c1ccc(F)cc1 ZINC000457093676 822852931 /nfs/dbraw/zinc/85/29/31/822852931.db2.gz YTFOXIZFIZGHNW-GOSISDBHSA-N 1 0 388.449 4.441 20 0 GIADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC=CC[C@H]2c2nc3ccccc3s2)C1 ZINC000457110668 822854020 /nfs/dbraw/zinc/85/40/20/822854020.db2.gz ICYIWGIVLUXCMN-KSZLIROESA-N 1 0 383.561 4.287 20 0 GIADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC=CC[C@H]2c2nc3ccccc3s2)C1 ZINC000457110670 822854133 /nfs/dbraw/zinc/85/41/33/822854133.db2.gz ICYIWGIVLUXCMN-RCCFBDPRSA-N 1 0 383.561 4.287 20 0 GIADRO O=C(N[C@H]1CCSc2ccccc21)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000053962672 822854449 /nfs/dbraw/zinc/85/44/49/822854449.db2.gz BCRZRYIVZKQYKA-FQEVSTJZSA-N 1 0 381.545 4.141 20 0 GIADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)C1 ZINC000457116729 822854882 /nfs/dbraw/zinc/85/48/82/822854882.db2.gz LOCHZYGJPBPTHL-AWEZNQCLSA-N 1 0 399.482 4.189 20 0 GIADRO Cc1ccc(C)c(C(=O)CCC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000053968165 822854854 /nfs/dbraw/zinc/85/48/54/822854854.db2.gz ZRSDXBBTFAEFPS-UHFFFAOYSA-N 1 0 392.543 4.356 20 0 GIADRO CC(C)[C@@H](C)CC(=O)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000457124174 822855650 /nfs/dbraw/zinc/85/56/50/822855650.db2.gz XIOJKJYPVZZBFY-SFHVURJKSA-N 1 0 391.987 4.135 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(N(C)C)c(C)c1 ZINC000174918102 822855927 /nfs/dbraw/zinc/85/59/27/822855927.db2.gz SYUKVWJOXALWRF-NRFANRHFSA-N 1 0 394.563 4.437 20 0 GIADRO COc1cccc(F)c1NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000186153442 822856181 /nfs/dbraw/zinc/85/61/81/822856181.db2.gz HMEYQYTUATVMBN-SJLPKXTDSA-N 1 0 385.483 4.351 20 0 GIADRO O=C(Nc1c(F)cccc1F)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000054002427 822856695 /nfs/dbraw/zinc/85/66/95/822856695.db2.gz JFVNVRXVHJJQLH-UHFFFAOYSA-N 1 0 379.838 4.404 20 0 GIADRO Cc1ccc(C(F)(F)F)cc1NC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000174932129 822857581 /nfs/dbraw/zinc/85/75/81/822857581.db2.gz TYXZFDYAYGHWJS-UHFFFAOYSA-N 1 0 392.425 4.195 20 0 GIADRO C[N@H+](CCCCNC(=O)[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1Cl)C1CC1 ZINC000457171687 822858893 /nfs/dbraw/zinc/85/88/93/822858893.db2.gz SLWPQGHKSLACPW-MJGOQNOKSA-N 1 0 399.362 4.452 20 0 GIADRO Cc1ccc(C)c(C(=O)CCC(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)c1 ZINC000054012268 822858886 /nfs/dbraw/zinc/85/88/86/822858886.db2.gz DUBGVYSSDWHZBI-UHFFFAOYSA-N 1 0 393.531 4.047 20 0 GIADRO C[C@@H]1C[C@H](C(=O)N2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000457192612 822859692 /nfs/dbraw/zinc/85/96/92/822859692.db2.gz DOJMAXZQMJRUBF-AGILITTLSA-N 1 0 398.591 4.485 20 0 GIADRO C[C@@H](C(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1)n1cccn1 ZINC000457191859 822859734 /nfs/dbraw/zinc/85/97/34/822859734.db2.gz ASNVPTPGOAHUEE-NZQKXSOJSA-N 1 0 394.563 4.128 20 0 GIADRO O=C(C[C@H]1CCCO1)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457193318 822859846 /nfs/dbraw/zinc/85/98/46/822859846.db2.gz HKIVXPBPQPJILG-DHIUTWEWSA-N 1 0 384.564 4.239 20 0 GIADRO O=C([C@@H]1CCC[C@@H](O)C1)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457193371 822859852 /nfs/dbraw/zinc/85/98/52/822859852.db2.gz IGOJNUUZCVHBQK-WXFUMESZSA-N 1 0 398.591 4.221 20 0 GIADRO O=C(C1CCC(=O)CC1)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457193983 822859930 /nfs/dbraw/zinc/85/99/30/822859930.db2.gz KEMUCKAVWBZJDE-XMMPIXPASA-N 1 0 396.575 4.429 20 0 GIADRO CCCc1noc2nc(-c3ccco3)cc(C(=O)NCCCC[N@H+](C)C3CC3)c12 ZINC000457197032 822860161 /nfs/dbraw/zinc/86/01/61/822860161.db2.gz IFHWILFVPBEMRU-UHFFFAOYSA-N 1 0 396.491 4.040 20 0 GIADRO CCn1cc(C(=O)N2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000457196142 822860227 /nfs/dbraw/zinc/86/02/27/822860227.db2.gz PXKFPRAQGXXCFD-HSZRJFAPSA-N 1 0 394.563 4.200 20 0 GIADRO O=C(C[C@@H]1CCOC1)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457197836 822860368 /nfs/dbraw/zinc/86/03/68/822860368.db2.gz WPSMNHSGKUDOQB-JTHBVZDNSA-N 1 0 384.564 4.096 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN([C@H](C(=O)Nc2ccc(OC)cc2)c2ccccc2)C1 ZINC000174952215 822860372 /nfs/dbraw/zinc/86/03/72/822860372.db2.gz DFLHIGZYDSGCTK-CVDCTZTESA-N 1 0 395.547 4.039 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCc1nc2ccccc2s1 ZINC000174952521 822860423 /nfs/dbraw/zinc/86/04/23/822860423.db2.gz GAMOFIBHFRWDRS-LJQANCHMSA-N 1 0 393.556 4.209 20 0 GIADRO C[C@](O)(CC(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000457198297 822860517 /nfs/dbraw/zinc/86/05/17/822860517.db2.gz YRRVJDYWIFDBGM-ZCYQVOJMSA-N 1 0 398.591 4.221 20 0 GIADRO Cc1ccc(NC(=O)c2ccc3c(c2)CCCC3)cc1NC(=O)CC[NH+](C)C ZINC000186211703 822861302 /nfs/dbraw/zinc/86/13/02/822861302.db2.gz VWCWOQHWBDZWGK-UHFFFAOYSA-N 1 0 379.504 4.016 20 0 GIADRO Cc1ccc(NC(=O)[C@H](C)CCCc2ccccc2)cc1NC(=O)CC[NH+](C)C ZINC000186217363 822861698 /nfs/dbraw/zinc/86/16/98/822861698.db2.gz FXHZTBRQPSHLBF-LJQANCHMSA-N 1 0 395.547 4.483 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(Cc2ncc(-c3ccc(Br)cc3)o2)C1 ZINC000174961983 822861868 /nfs/dbraw/zinc/86/18/68/822861868.db2.gz QLWYCPCQODVEEG-HNNXBMFYSA-N 1 0 392.341 4.268 20 0 GIADRO COC[C@@H]([NH2+][C@H](C)c1cc(Br)ccc1O)c1ccc(F)c(F)c1 ZINC000186225480 822862484 /nfs/dbraw/zinc/86/24/84/822862484.db2.gz CEXOMKSTPZAYRT-QLJPJBMISA-N 1 0 386.236 4.471 20 0 GIADRO COC[C@H]([NH2+][C@H](C)c1ccc(Br)cc1O)c1ccc(F)c(F)c1 ZINC000186225993 822862497 /nfs/dbraw/zinc/86/24/97/822862497.db2.gz UQFMICFTZUVUHF-HWPZZCPQSA-N 1 0 386.236 4.471 20 0 GIADRO CC(C)c1cc(C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)nn1C(C)(C)C ZINC000174969755 822862520 /nfs/dbraw/zinc/86/25/20/822862520.db2.gz YFRXYRXQRGCHMW-HXUWFJFHSA-N 1 0 396.579 4.356 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(OC(F)F)c1 ZINC000174974972 822863248 /nfs/dbraw/zinc/86/32/48/822863248.db2.gz AJSHAWQQBDAWBZ-KRWDZBQOSA-N 1 0 389.446 4.274 20 0 GIADRO CC(C)[C@@H](C(=O)Nc1ccc2c(c1)CN(CC(F)(F)F)C2)[NH+]1CCCCC1 ZINC000457323348 822865765 /nfs/dbraw/zinc/86/57/65/822865765.db2.gz HLFBYTWHTYJVNR-SFHVURJKSA-N 1 0 383.458 4.014 20 0 GIADRO Cc1c(COc2ccccc2)cccc1NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000175000030 822865819 /nfs/dbraw/zinc/86/58/19/822865819.db2.gz CBEXNANPLSQFQR-HXUWFJFHSA-N 1 0 379.504 4.276 20 0 GIADRO C[C@@H](c1ccc(Cl)cc1Cl)[N@H+](C)CCc1nc2ccccc2c(=O)[nH]1 ZINC000054174168 822865893 /nfs/dbraw/zinc/86/58/93/822865893.db2.gz HTXAOXOQGUPFBB-LBPRGKRZSA-N 1 0 376.287 4.465 20 0 GIADRO Cc1ccccc1O[C@H]1CCCC[C@H]1[NH2+]CCc1nc2ccccc2c(=O)[nH]1 ZINC000568967919 822866178 /nfs/dbraw/zinc/86/61/78/822866178.db2.gz MJJWHDQPNUTAAU-CTNGQTDRSA-N 1 0 377.488 4.166 20 0 GIADRO Cc1c(COc2ccccc2)cccc1NC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000175004920 822866199 /nfs/dbraw/zinc/86/61/99/822866199.db2.gz BYRCBFITJUNHLX-IBGZPJMESA-N 1 0 381.520 4.380 20 0 GIADRO C[NH+](C)[C@@H]1CCC[C@H](NCc2csc(COc3ccc(Cl)cc3)n2)C1 ZINC000175012060 822867160 /nfs/dbraw/zinc/86/71/60/822867160.db2.gz RDACKKVTIGRBGW-DOTOQJQBSA-N 1 0 379.957 4.338 20 0 GIADRO Cc1ccc(NC(=O)C[C@H](C)Cc2cccc(F)c2)cc1NC(=O)CC[NH+](C)C ZINC000186268788 822867569 /nfs/dbraw/zinc/86/75/69/822867569.db2.gz VVNVPGMPJPKABB-MRXNPFEDSA-N 1 0 399.510 4.232 20 0 GIADRO CC[C@@H](NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c1nc(C(F)(F)F)cs1 ZINC000175015070 822867703 /nfs/dbraw/zinc/86/77/03/822867703.db2.gz RTJBYMDEDRHYDJ-VXGBXAGGSA-N 1 0 394.507 4.279 20 0 GIADRO Cc1csc(C2([NH2+]CCOc3ccc4c(C)cc(=O)oc4c3)CCCC2)n1 ZINC000175018583 822868199 /nfs/dbraw/zinc/86/81/99/822868199.db2.gz UCWAQYZFFNGMSF-UHFFFAOYSA-N 1 0 384.501 4.304 20 0 GIADRO Cc1cn(-c2ccccc2)nc1C(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000186275094 822868555 /nfs/dbraw/zinc/86/85/55/822868555.db2.gz SUBUAMTVFHSPLE-PZJWPPBQSA-N 1 0 394.906 4.009 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)CCn2ccc3ccccc32)CC1 ZINC000175021725 822868948 /nfs/dbraw/zinc/86/89/48/822868948.db2.gz BBWLIRZRHOGTLK-UHFFFAOYSA-N 1 0 375.516 4.154 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)C[C@@H]2CCOc3ccccc32)CC1 ZINC000175021989 822868971 /nfs/dbraw/zinc/86/89/71/822868971.db2.gz YHTIMLUPRPUQDO-FQEVSTJZSA-N 1 0 378.516 4.066 20 0 GIADRO O=C(NC1CCN(c2ccccc2)CC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000054219955 822869009 /nfs/dbraw/zinc/86/90/09/822869009.db2.gz MVYLVSIGJZLKOU-UHFFFAOYSA-N 1 0 377.532 4.071 20 0 GIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH]c3=S)cc2)C1 ZINC000054222979 822869116 /nfs/dbraw/zinc/86/91/16/822869116.db2.gz QKFFCBAUAMNBQF-LPHOPBHVSA-N 1 0 392.528 4.100 20 0 GIADRO COc1ccc2[nH+]cc(C(=O)[O-])c(N3CCC[C@@H](C[N@@H+]4CCCC[C@H]4C)C3)c2c1 ZINC000569007927 822869210 /nfs/dbraw/zinc/86/92/10/822869210.db2.gz PFUTUBHSBBOKOO-SJORKVTESA-N 1 0 397.519 4.032 20 0 GIADRO COc1ccc(S[C@H](C)C(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc1 ZINC000054227772 822869718 /nfs/dbraw/zinc/86/97/18/822869718.db2.gz AXTNHOQRULYKRX-SCTDSRPQSA-N 1 0 384.545 4.128 20 0 GIADRO C[C@H]1CCN(C(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)[C@@H](C)[C@H]1[NH3+] ZINC000457359853 822870241 /nfs/dbraw/zinc/87/02/41/822870241.db2.gz DJMWCUUMZMXCBP-YHAQOWFVSA-N 1 0 384.332 4.315 20 0 GIADRO CC[C@H](CC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@@H]([NH3+])C1)c1ccc(OC)cc1 ZINC000457362008 822870373 /nfs/dbraw/zinc/87/03/73/822870373.db2.gz IUSDWEWIJJCHJE-XGRCMKMKSA-N 1 0 384.495 4.061 20 0 GIADRO COc1ccc([C@H]2CCN(C(=O)c3cccc(-c4ccoc4)c3)C[C@@H]2[NH3+])cc1F ZINC000457365732 822870629 /nfs/dbraw/zinc/87/06/29/822870629.db2.gz CHTZOLMFUBNSQC-CTNGQTDRSA-N 1 0 394.446 4.051 20 0 GIADRO c1c(C[NH2+]CCC[C@H]2CCCCO2)c(-c2cccnc2)nn1Cc1ccccc1 ZINC000186285640 822870815 /nfs/dbraw/zinc/87/08/15/822870815.db2.gz CYXYIVQATJZOLO-HSZRJFAPSA-N 1 0 390.531 4.432 20 0 GIADRO CCc1cc(N2CCC([NH2+][C@H](C)c3ccc(OC(F)(F)F)cc3)CC2)ncn1 ZINC000175030348 822870944 /nfs/dbraw/zinc/87/09/44/822870944.db2.gz NFZFVMJKHSPBBN-CQSZACIVSA-N 1 0 394.441 4.257 20 0 GIADRO [NH3+][C@H]1CN(C(=O)c2ccccc2CCC(F)(F)F)CC[C@@H]1c1ccc(F)cc1 ZINC000457373633 822871149 /nfs/dbraw/zinc/87/11/49/822871149.db2.gz VJQGDEKVCJRAOU-MJGOQNOKSA-N 1 0 394.412 4.278 20 0 GIADRO Cc1nc(CCC(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C(C)C)oc1-c1ccccc1 ZINC000175036491 822871817 /nfs/dbraw/zinc/87/18/17/822871817.db2.gz JWXUGZVQBAQXCA-VQTJNVASSA-N 1 0 381.520 4.056 20 0 GIADRO COc1cccc([C@H](CNC(=O)c2ccc(OC(C)C)cc2Cl)[NH+](C)C)c1 ZINC000457387686 822871977 /nfs/dbraw/zinc/87/19/77/822871977.db2.gz KVBCTQYFNMDFEA-FQEVSTJZSA-N 1 0 390.911 4.169 20 0 GIADRO Cc1[nH]c2ccccc2c1C1CC[NH+](CCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000054271862 822872358 /nfs/dbraw/zinc/87/23/58/822872358.db2.gz JTFAKDIOYGLLDG-UHFFFAOYSA-N 1 0 386.499 4.135 20 0 GIADRO Cc1cccc(-c2nc(CC(=O)N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C(C)C)cs2)c1 ZINC000175043896 822872810 /nfs/dbraw/zinc/87/28/10/822872810.db2.gz GPQQOVIGJVUVTF-UXHICEINSA-N 1 0 383.561 4.135 20 0 GIADRO CN(C(=O)N[C@H]1CCCc2ccccc21)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457406146 822873319 /nfs/dbraw/zinc/87/33/19/822873319.db2.gz QUWUENLXIBRTIC-SFHVURJKSA-N 1 0 383.458 4.122 20 0 GIADRO Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc1Oc1ccncc1 ZINC000175050687 822873928 /nfs/dbraw/zinc/87/39/28/822873928.db2.gz KHDVCJVVXVMNCI-UXHICEINSA-N 1 0 379.504 4.270 20 0 GIADRO C[C@@H](NC(=O)[C@@H](C)N1CCC([NH+]2CCCC2)CC1)c1ccc(Cl)cc1Cl ZINC000054317245 822875765 /nfs/dbraw/zinc/87/57/65/822875765.db2.gz CZMDNMPOQXGROB-HUUCEWRRSA-N 1 0 398.378 4.119 20 0 GIADRO COc1ccc(OCc2nc(C[NH2+]C[C@@H]3CCCO[C@@H]3C(C)C)cs2)cc1 ZINC000175063031 822876297 /nfs/dbraw/zinc/87/62/97/822876297.db2.gz SZTLTKSJIVGHBP-HRAATJIYSA-N 1 0 390.549 4.272 20 0 GIADRO CCN(C(=O)c1ccc(C(F)(F)F)nc1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186326613 822876527 /nfs/dbraw/zinc/87/65/27/822876527.db2.gz UZCKEYJCUUINPM-QGZVFWFLSA-N 1 0 391.437 4.145 20 0 GIADRO C[C@H]([NH2+]C1CCC2(CC1)c1ccccc1NC2=O)[C@H](c1ccccc1)N(C)C ZINC000186329005 822876702 /nfs/dbraw/zinc/87/67/02/822876702.db2.gz ZWNQDRRFULCFLZ-FBTCXXMBSA-N 1 0 377.532 4.100 20 0 GIADRO C[N@H+](CCC(=O)Nc1ccccc1F)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000054339102 822877125 /nfs/dbraw/zinc/87/71/25/822877125.db2.gz QQNHWVRKVHBUOU-HKUYNNGSSA-N 1 0 397.277 4.051 20 0 GIADRO CSCC1CCC(NC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000457461911 822877259 /nfs/dbraw/zinc/87/72/59/822877259.db2.gz SLWHSTOIGZJPRU-JCYILVPMSA-N 1 0 381.611 4.106 20 0 GIADRO CC(C)[NH+]1CCC(NC(=O)[C@@H](C)Sc2ccnc3cc(Cl)ccc32)CC1 ZINC000175070770 822877404 /nfs/dbraw/zinc/87/74/04/822877404.db2.gz ZGEXUGXWBOHTDO-CQSZACIVSA-N 1 0 391.968 4.358 20 0 GIADRO CC1(C)CN(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)[C@H]1c1ccncc1 ZINC000457462942 822877461 /nfs/dbraw/zinc/87/74/61/822877461.db2.gz UHIBEUOVWQVTFT-MJGOQNOKSA-N 1 0 384.549 4.073 20 0 GIADRO CCN(C(=O)c1nc(Cl)ccc1Cl)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186337834 822877955 /nfs/dbraw/zinc/87/79/55/822877955.db2.gz FEPLSRAISSQBAA-OAHLLOKOSA-N 1 0 378.303 4.125 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)[NH2+]C2CCC(O)(c3cccnc3)CC2)cc1 ZINC000186341488 822878590 /nfs/dbraw/zinc/87/85/90/822878590.db2.gz GORJWFFJQDDSGW-HLFJOQDNSA-N 1 0 376.504 4.057 20 0 GIADRO O=C(c1ccsc1)N1CCC[N@H+](CCOc2ccc3ccccc3c2)CC1 ZINC000054364022 822878588 /nfs/dbraw/zinc/87/85/88/822878588.db2.gz PXPCVIINCAYSKK-UHFFFAOYSA-N 1 0 380.513 4.128 20 0 GIADRO Cc1nc(CCCC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cs1 ZINC000175079383 822878604 /nfs/dbraw/zinc/87/86/04/822878604.db2.gz GDNLYCUJCWHNOC-UHFFFAOYSA-N 1 0 391.968 4.208 20 0 GIADRO CN(Cc1ccc2c(c1)COC(C)(C)O2)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186345653 822879162 /nfs/dbraw/zinc/87/91/62/822879162.db2.gz LFFKOLZDRQAMGF-NRFANRHFSA-N 1 0 380.532 4.286 20 0 GIADRO C[C@H]([NH2+]C1CCC(O)(c2cccnc2)CC1)c1ccc(F)cc1OC(F)F ZINC000186347884 822879712 /nfs/dbraw/zinc/87/97/12/822879712.db2.gz IUIOABNTHJXGGJ-CZTOGXCSSA-N 1 0 380.410 4.303 20 0 GIADRO C[C@H]1C[C@@H](C(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)CC[NH2+]1 ZINC000569104622 822880086 /nfs/dbraw/zinc/88/00/86/822880086.db2.gz KGAFNMBPHXRTIU-HOCLYGCPSA-N 1 0 392.330 4.305 20 0 GIADRO Cc1ccc(F)c(NC(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000175089155 822880224 /nfs/dbraw/zinc/88/02/24/822880224.db2.gz KJMHMFMXUVRHNB-UHFFFAOYSA-N 1 0 399.510 4.327 20 0 GIADRO C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000186352639 822880411 /nfs/dbraw/zinc/88/04/11/822880411.db2.gz OLCNNYMCTPJIQQ-XQQGARBVSA-N 1 0 390.474 4.424 20 0 GIADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cnn(C2CCCC2)c1-c1ccccc1 ZINC000569107503 822880492 /nfs/dbraw/zinc/88/04/92/822880492.db2.gz YRVCWMSKDGBACZ-SFHVURJKSA-N 1 0 394.563 4.468 20 0 GIADRO OC1(c2cccnc2)CCC([NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000186351906 822880525 /nfs/dbraw/zinc/88/05/25/822880525.db2.gz VSGYSMGBLTWQFH-NQKNOSNGSA-N 1 0 392.421 4.388 20 0 GIADRO C[C@@H]([NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1)c1ccc2c(c1)CCC2 ZINC000569109617 822880784 /nfs/dbraw/zinc/88/07/84/822880784.db2.gz BIQVXSIVVDTLAQ-CYBMUJFWSA-N 1 0 397.462 4.448 20 0 GIADRO CC(=O)Nc1cccc2c1CC[N@H+](CCC(=O)Nc1cccc3ccccc31)C2 ZINC000054392100 822881532 /nfs/dbraw/zinc/88/15/32/822881532.db2.gz XORYNNQZQMDHEW-UHFFFAOYSA-N 1 0 387.483 4.185 20 0 GIADRO C[C@H]([NH2+]Cc1cc(Br)cc(Br)c1N)c1cccnc1 ZINC000186361337 822882043 /nfs/dbraw/zinc/88/20/43/822882043.db2.gz SQEBHUUOLAGAAW-VIFPVBQESA-N 1 0 385.103 4.040 20 0 GIADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]C[C@@H](c1ccccc1)C1CC1 ZINC000569132057 822882363 /nfs/dbraw/zinc/88/23/63/822882363.db2.gz PUVQUHGQTHCCDR-SFHVURJKSA-N 1 0 377.937 4.417 20 0 GIADRO C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000457499946 822882405 /nfs/dbraw/zinc/88/24/05/822882405.db2.gz BSWBZCNDLZDBSV-CRAIPNDOSA-N 1 0 383.458 4.155 20 0 GIADRO COc1ccc([C@H]([NH2+][C@@H](C)CCC2CC2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000186365133 822882450 /nfs/dbraw/zinc/88/24/50/822882450.db2.gz SJRBEMNUMZEFBJ-AOMKIAJQSA-N 1 0 387.545 4.356 20 0 GIADRO O=C(c1ccc(Oc2cccc(Cl)c2)cn1)N1CCC([NH+]2CCCC2)CC1 ZINC000457502877 822882781 /nfs/dbraw/zinc/88/27/81/822882781.db2.gz GIIHZWVDNZFWLI-UHFFFAOYSA-N 1 0 385.895 4.228 20 0 GIADRO O=C(c1ccc(Oc2cccc(F)c2)cn1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000457502822 822882791 /nfs/dbraw/zinc/88/27/91/822882791.db2.gz FTCHFBJTQRYXHQ-GOSISDBHSA-N 1 0 383.467 4.104 20 0 GIADRO C[C@H](CC(F)(F)F)C(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000457506681 822883225 /nfs/dbraw/zinc/88/32/25/822883225.db2.gz VLZJGKKDWYECRU-GFCCVEGCSA-N 1 0 384.364 4.184 20 0 GIADRO CCc1ccc([C@H](CN[C@@H](c2cccs2)c2nc[nH]n2)[NH+](CC)CC)cc1 ZINC000569146175 822883846 /nfs/dbraw/zinc/88/38/46/822883846.db2.gz NTVFDPZZAHDOKJ-ICSRJNTNSA-N 1 0 383.565 4.191 20 0 GIADRO Cc1ccc(SCCNC(=O)C[N@@H+](C)[C@H]2CC[C@@H](C(F)(F)F)CC2)cc1 ZINC000569149971 822884331 /nfs/dbraw/zinc/88/43/31/822884331.db2.gz SBBQQUKUFILLGQ-IYBDPMFKSA-N 1 0 388.499 4.256 20 0 GIADRO CSc1ccccc1NC(=O)CC[NH+]1CCC(OCc2ccccc2)CC1 ZINC000054429404 822884355 /nfs/dbraw/zinc/88/43/55/822884355.db2.gz HPTPRQHQFFJCAM-UHFFFAOYSA-N 1 0 384.545 4.418 20 0 GIADRO CSc1ccccc1NC(=O)CC[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000054428476 822884359 /nfs/dbraw/zinc/88/43/59/822884359.db2.gz VGWWFYBTZKYOOL-UHFFFAOYSA-N 1 0 380.517 4.055 20 0 GIADRO O=C([C@@H]1C[C@H]1c1ccc2ccccc2c1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000175118991 822885546 /nfs/dbraw/zinc/88/55/46/822885546.db2.gz BFHMBOYAPXFURO-BJKOFHAPSA-N 1 0 392.543 4.047 20 0 GIADRO C[C@@H](CC(F)(F)F)C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000457541098 822888131 /nfs/dbraw/zinc/88/81/31/822888131.db2.gz SNVLXZPNCPJRPV-AWEZNQCLSA-N 1 0 385.430 4.028 20 0 GIADRO CCC[NH+]1CCN(C(=O)Nc2c(Br)cccc2SCC)CC1 ZINC000569174457 822888881 /nfs/dbraw/zinc/88/88/81/822888881.db2.gz LXZFLXBIZZEGNM-UHFFFAOYSA-N 1 0 386.359 4.121 20 0 GIADRO Cc1cccc2c1OC[C@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)C3CCCC3)cc1)C2 ZINC000569175121 822888899 /nfs/dbraw/zinc/88/88/99/822888899.db2.gz ZSNOYGVRAUEZRG-FXAWDEMLSA-N 1 0 399.556 4.366 20 0 GIADRO COc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1F ZINC000175147721 822891876 /nfs/dbraw/zinc/89/18/76/822891876.db2.gz JJMIRFSDPGHMIV-SCLBCKFNSA-N 1 0 377.485 4.100 20 0 GIADRO CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCc1cnc(-c2ccc(Cl)cc2)s1 ZINC000569207545 822893028 /nfs/dbraw/zinc/89/30/28/822893028.db2.gz XPVUYKJIWBVOCR-KRWDZBQOSA-N 1 0 377.941 4.343 20 0 GIADRO CC[C@H](CC(F)F)C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000457572552 822893058 /nfs/dbraw/zinc/89/30/58/822893058.db2.gz JICMTIIQLHSNJR-OAHLLOKOSA-N 1 0 381.467 4.121 20 0 GIADRO CC[C@@H](CC(F)F)C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000457572550 822893087 /nfs/dbraw/zinc/89/30/87/822893087.db2.gz JICMTIIQLHSNJR-HNNXBMFYSA-N 1 0 381.467 4.121 20 0 GIADRO COC[C@H](C)OC[C@H](O)C[NH2+]C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000569212809 822893431 /nfs/dbraw/zinc/89/34/31/822893431.db2.gz RVDTWJFXMMYRSA-IFXJQAMLSA-N 1 0 398.330 4.085 20 0 GIADRO Fc1ccc(Br)cc1C[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000569229183 822894663 /nfs/dbraw/zinc/89/46/63/822894663.db2.gz BUIHHNOATSSNJG-UHFFFAOYSA-N 1 0 377.179 4.334 20 0 GIADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(C)(C)c2ccccc2F)c1 ZINC000569231734 822894783 /nfs/dbraw/zinc/89/47/83/822894783.db2.gz MFZAEBAIBRZAJC-UHFFFAOYSA-N 1 0 385.483 4.022 20 0 GIADRO CCCCN(C)C(=O)C1CC[NH+](Cc2c3c(ccc2O)oc2c3CCCC2)CC1 ZINC000054551599 822895037 /nfs/dbraw/zinc/89/50/37/822895037.db2.gz CUTDDXRGFKLXEM-UHFFFAOYSA-N 1 0 398.547 4.488 20 0 GIADRO CN(C(=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457594086 822895726 /nfs/dbraw/zinc/89/57/26/822895726.db2.gz ZZVMFQRYLKZMLB-IXDOHACOSA-N 1 0 389.506 4.404 20 0 GIADRO Cc1cccc(Oc2ccc(C(=O)N3CC[C@@H](C[NH+]4CCCCC4)C3)nc2)c1 ZINC000457595651 822896138 /nfs/dbraw/zinc/89/61/38/822896138.db2.gz JNYFZJLVHYYAFK-IBGZPJMESA-N 1 0 379.504 4.130 20 0 GIADRO Cn1cccc1[C@H]1CCCCN1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000175166843 822896238 /nfs/dbraw/zinc/89/62/38/822896238.db2.gz TZHKRUVLGJHETP-UXHICEINSA-N 1 0 384.524 4.082 20 0 GIADRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2ccc(Oc3cccc(Cl)c3)cn2)C1 ZINC000457598575 822896355 /nfs/dbraw/zinc/89/63/55/822896355.db2.gz CVOIPLMCMFZIRE-MRXNPFEDSA-N 1 0 387.911 4.331 20 0 GIADRO Cn1cccc1[C@@H]1CCCCN1C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000175166853 822896357 /nfs/dbraw/zinc/89/63/57/822896357.db2.gz TZHKRUVLGJHETP-VQTJNVASSA-N 1 0 384.524 4.082 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)c3cccc([C@H]4CCOC4)c3)C2)s1 ZINC000569249536 822896422 /nfs/dbraw/zinc/89/64/22/822896422.db2.gz HZPRXPFDOVXBIX-RXVVDRJESA-N 1 0 398.572 4.155 20 0 GIADRO CCOC(=O)N1CC[C@H]([NH2+][C@@H](C)c2sc(-c3ccc(OC)cc3)nc2C)C1 ZINC000186444217 822896504 /nfs/dbraw/zinc/89/65/04/822896504.db2.gz ZOOBRHVOLUCKHT-BBRMVZONSA-N 1 0 389.521 4.009 20 0 GIADRO CC(C)(C)C(=O)N1CCC([NH2+]CC2(c3ccc(F)cc3F)CCCC2)CC1 ZINC000186443174 822896639 /nfs/dbraw/zinc/89/66/39/822896639.db2.gz YKGLXHLMQAYTCZ-UHFFFAOYSA-N 1 0 378.507 4.403 20 0 GIADRO CCOC(=O)N1CC[C@H]([NH2+][C@H](C)c2sc(-c3ccc(OC)cc3)nc2C)C1 ZINC000186444245 822896830 /nfs/dbraw/zinc/89/68/30/822896830.db2.gz ZOOBRHVOLUCKHT-CJNGLKHVSA-N 1 0 389.521 4.009 20 0 GIADRO C[NH+]1CCC(Oc2ccc(CNc3nc(C(F)F)nc4ccccc43)cc2)CC1 ZINC000569253899 822896983 /nfs/dbraw/zinc/89/69/83/822896983.db2.gz YGMDMASESWEMNT-UHFFFAOYSA-N 1 0 398.457 4.074 20 0 GIADRO CSc1ccc2ncnc(N3CC[C@@H](C[N@H+](C)Cc4scnc4C)C3)c2c1 ZINC000569263590 822898134 /nfs/dbraw/zinc/89/81/34/822898134.db2.gz MJQKTKNEBAZLNP-HNNXBMFYSA-N 1 0 399.589 4.075 20 0 GIADRO C[C@H](NC(=O)NC(C)(C)CCC[NH+](C)C)c1ccc(OC(F)(F)F)cc1 ZINC000457623406 822898175 /nfs/dbraw/zinc/89/81/75/822898175.db2.gz FSAOFUJAHFCAPV-ZDUSSCGKSA-N 1 0 375.435 4.066 20 0 GIADRO CC(C)c1cccc(CC(=O)N(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000457629482 822898745 /nfs/dbraw/zinc/89/87/45/822898745.db2.gz LFCOFCGHOKSHCI-UHFFFAOYSA-N 1 0 399.623 4.007 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2sc(C)cc2OCc2ccccc2)C1 ZINC000457632018 822898920 /nfs/dbraw/zinc/89/89/20/822898920.db2.gz WTGPMPLMDBOADO-LJQANCHMSA-N 1 0 386.561 4.439 20 0 GIADRO Cn1cccc1[C@H]1CCCCN1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000175182679 822899495 /nfs/dbraw/zinc/89/94/95/822899495.db2.gz CZBQDZBVRCVNSK-RTBURBONSA-N 1 0 386.565 4.160 20 0 GIADRO COC[C@H]1CCCN(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000457649351 822901245 /nfs/dbraw/zinc/90/12/45/822901245.db2.gz LGYLKZURLOEEJW-KNQAVFIVSA-N 1 0 387.568 4.019 20 0 GIADRO CC(C)Oc1ccc([C@H](C[NH2+]Cc2cc3ccccc3[nH]c2=O)N(C)C)cc1 ZINC000569285277 822901568 /nfs/dbraw/zinc/90/15/68/822901568.db2.gz GJCSYVOMXUUFLT-QFIPXVFZSA-N 1 0 379.504 4.120 20 0 GIADRO Cc1ccccc1Oc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nc1 ZINC000457654128 822902003 /nfs/dbraw/zinc/90/20/03/822902003.db2.gz BQCUDBOPWOWPCF-GCJKJVERSA-N 1 0 391.515 4.271 20 0 GIADRO C[C@H](NC(=O)CC(C)(C)C)c1nc(-c2ccccc2C[NH+]2CCCCC2)no1 ZINC000569289146 822902091 /nfs/dbraw/zinc/90/20/91/822902091.db2.gz LJNABIIGAHMBKG-INIZCTEOSA-N 1 0 384.524 4.336 20 0 GIADRO CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)[C@H](CC)CC(F)F ZINC000457657746 822902207 /nfs/dbraw/zinc/90/22/07/822902207.db2.gz KJKWTXZNZINYRA-ATZDWAIDSA-N 1 0 381.511 4.130 20 0 GIADRO Cc1ccc(-c2nc(-c3nc([C@H]4C[N@@H+]5CCC[C@@]5(C)CO4)no3)cs2)c(C)c1 ZINC000569290567 822902418 /nfs/dbraw/zinc/90/24/18/822902418.db2.gz ZKPRBSPAZSRRLY-UTKZUKDTSA-N 1 0 396.516 4.403 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)N[C@H](c2nc(C)cs2)C2CC2)c1 ZINC000175198917 822902537 /nfs/dbraw/zinc/90/25/37/822902537.db2.gz LHDQDXAGWGPSFU-IBGZPJMESA-N 1 0 386.565 4.244 20 0 GIADRO Cn1cccc1[C@H]1CCCCN1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000175206695 822904393 /nfs/dbraw/zinc/90/43/93/822904393.db2.gz FKEFLRWGFKBVGC-JOCHJYFZSA-N 1 0 380.536 4.058 20 0 GIADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NCc2cccc(COCc3ccccc3)c2)C1 ZINC000457671849 822904489 /nfs/dbraw/zinc/90/44/89/822904489.db2.gz NYXXUUFUYIDNDK-QHCPKHFHSA-N 1 0 395.547 4.028 20 0 GIADRO C[N@@H+]1CCCC12CCN(C(=O)c1ccc(Oc3cccc(Cl)c3)cn1)CC2 ZINC000457691351 822907135 /nfs/dbraw/zinc/90/71/35/822907135.db2.gz KMLGALFRQQTNBP-UHFFFAOYSA-N 1 0 385.895 4.228 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000186518778 822907455 /nfs/dbraw/zinc/90/74/55/822907455.db2.gz MVYPNJOVBSKXHG-QLFBSQMISA-N 1 0 381.358 4.458 20 0 GIADRO C[C@@H]([NH2+]Cc1cn(C)nc1-c1ccccc1)c1cc(Br)ccc1O ZINC000186520890 822907666 /nfs/dbraw/zinc/90/76/66/822907666.db2.gz LEACYFFCVCOUBV-CYBMUJFWSA-N 1 0 386.293 4.406 20 0 GIADRO CC[C@H](CC(F)F)C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000457694810 822907697 /nfs/dbraw/zinc/90/76/97/822907697.db2.gz RSGCCLZKEQMGQB-ZUCKAHLUSA-N 1 0 376.850 4.270 20 0 GIADRO C[C@H](C[NH2+]CC1(N2CCCCC2)CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000569327005 822907987 /nfs/dbraw/zinc/90/79/87/822907987.db2.gz GACURPNLHJEMOJ-QGZVFWFLSA-N 1 0 384.486 4.434 20 0 GIADRO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)N1C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000457701041 822908347 /nfs/dbraw/zinc/90/83/47/822908347.db2.gz HTHNKYUMSPPFPD-CTHBEMJXSA-N 1 0 377.476 4.112 20 0 GIADRO O=C(NCc1cc(-c2ccccc2)on1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000569331027 822908706 /nfs/dbraw/zinc/90/87/06/822908706.db2.gz RXZNFOLLIIJNCO-UHFFFAOYSA-N 1 0 375.472 4.258 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)N[C@H](C)c1ccc(C)s1)[NH+]1CCCC1 ZINC000054732369 822908798 /nfs/dbraw/zinc/90/87/98/822908798.db2.gz VEQPDPGHTCVGNJ-SJLPKXTDSA-N 1 0 387.549 4.262 20 0 GIADRO O=C(NCCC[C@@H]1CCC[NH2+]1)[C@@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000569350639 822910210 /nfs/dbraw/zinc/91/02/10/822910210.db2.gz QMKCPMHVNBUSBG-MDNUFGMLSA-N 1 0 378.516 4.018 20 0 GIADRO COc1cncc(/C=C/CC[NH2+][C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)c1 ZINC000569357740 822910950 /nfs/dbraw/zinc/91/09/50/822910950.db2.gz ZXYRALBJDXXYDU-DRDHIDPGSA-N 1 0 382.439 4.342 20 0 GIADRO Cc1c(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)nnn1-c1cccc(C)c1 ZINC000054775130 822911530 /nfs/dbraw/zinc/91/15/30/822911530.db2.gz RVXAQXWZDQCXPF-UHFFFAOYSA-N 1 0 389.503 4.122 20 0 GIADRO Cc1cc(C(=O)Nc2ccccc2CC[NH+](C)C)cc(C(=O)OC(C)(C)C)c1 ZINC000457731950 822911964 /nfs/dbraw/zinc/91/19/64/822911964.db2.gz ARUVXTSKJBDCKI-UHFFFAOYSA-N 1 0 382.504 4.307 20 0 GIADRO Cc1ccccc1COc1ccc([C@H](C)[NH2+][C@@H](C)C2(S(C)(=O)=O)CC2)cc1 ZINC000569372441 822912390 /nfs/dbraw/zinc/91/23/90/822912390.db2.gz RQBJJHRBJRUDNA-ROUUACIJSA-N 1 0 387.545 4.190 20 0 GIADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1cccc(COc2cccc(F)c2)c1 ZINC000569373105 822912818 /nfs/dbraw/zinc/91/28/18/822912818.db2.gz GDZGBQYPYQCXOT-VGOFRKELSA-N 1 0 397.494 4.495 20 0 GIADRO Cc1csc([C@H](C)C[NH2+][C@@H]2CCCC[C@H]2S(=O)(=O)c2ccc(C)cc2)n1 ZINC000186557826 822913007 /nfs/dbraw/zinc/91/30/07/822913007.db2.gz VUPLKGMZYAZFEH-ATZDWAIDSA-N 1 0 392.590 4.238 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCCC[C@H]1c1cccn1C ZINC000175252419 822914809 /nfs/dbraw/zinc/91/48/09/822914809.db2.gz MFFIOESCXGBOEC-QFIPXVFZSA-N 1 0 382.552 4.302 20 0 GIADRO Cc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@@H]2CCC(=O)N[C@H]2C2CC2)CCC3)cc1 ZINC000569389348 822914985 /nfs/dbraw/zinc/91/49/85/822914985.db2.gz YVNWQTHDVNUHHE-HLIPFELVSA-N 1 0 381.545 4.143 20 0 GIADRO CC[NH+]1CCN(c2ccc(C(=O)Nc3ccc(-c4cnc(C)o4)cc3)cc2)CC1 ZINC000175252794 822915139 /nfs/dbraw/zinc/91/51/39/822915139.db2.gz FJGDEVJMOAMZEH-UHFFFAOYSA-N 1 0 390.487 4.044 20 0 GIADRO C[NH+](C)CCn1ccc(NC(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)n1 ZINC000186575624 822916057 /nfs/dbraw/zinc/91/60/57/822916057.db2.gz ZSRZXOUAJGQEBI-UHFFFAOYSA-N 1 0 391.903 4.064 20 0 GIADRO C/C(=C/c1ccccc1OC(F)F)C[NH2+]CC1(N2CCCCC2)CCOCC1 ZINC000569395735 822916263 /nfs/dbraw/zinc/91/62/63/822916263.db2.gz HVZASLNIYLRPSE-SDXDJHTJSA-N 1 0 394.506 4.316 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)cc1O ZINC000569396777 822916456 /nfs/dbraw/zinc/91/64/56/822916456.db2.gz MLUYSJXHEMUUGD-KBXCAEBGSA-N 1 0 394.437 4.345 20 0 GIADRO COc1ccc2c(c1F)CC[C@H]2[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000569406443 822917910 /nfs/dbraw/zinc/91/79/10/822917910.db2.gz TWOLBHJUQBEZAH-CQSZACIVSA-N 1 0 394.240 4.103 20 0 GIADRO C[C@H]1CN(c2ccc(C[NH2+]CC3CCC(C(F)(F)F)CC3)cn2)C[C@H](C)O1 ZINC000186590477 822918956 /nfs/dbraw/zinc/91/89/56/822918956.db2.gz NRRFKBNYPRZRLN-WMTDPASSSA-N 1 0 385.474 4.154 20 0 GIADRO FC(F)(F)c1ccc(Br)c(C[NH2+]CCc2cn3ccccc3n2)c1 ZINC000569412638 822919023 /nfs/dbraw/zinc/91/90/23/822919023.db2.gz AOGCIVFIJWALKV-UHFFFAOYSA-N 1 0 398.226 4.448 20 0 GIADRO OC1(Cc2cccc(F)c2)CC[NH+](Cc2ccc(CSC(F)F)o2)CC1 ZINC000186593503 822919792 /nfs/dbraw/zinc/91/97/92/822919792.db2.gz RORTZGRRQBYTKR-UHFFFAOYSA-N 1 0 385.451 4.444 20 0 GIADRO C[C@H]([NH2+]CC1CCC(C(F)(F)F)CC1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000186594033 822920176 /nfs/dbraw/zinc/92/01/76/822920176.db2.gz RAGIYGSAJQJUCM-UQPPLGOBSA-N 1 0 398.469 4.363 20 0 GIADRO CCOc1c(Cl)cc(C[NH2+]Cc2cncc(Br)c2)cc1OC ZINC000186595425 822920344 /nfs/dbraw/zinc/92/03/44/822920344.db2.gz OTAJNGAXVNQRSC-UHFFFAOYSA-N 1 0 385.689 4.195 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(F)c(F)c(F)c1 ZINC000175270991 822920863 /nfs/dbraw/zinc/92/08/63/822920863.db2.gz CSPGZOAJVRPBAL-MRXNPFEDSA-N 1 0 376.422 4.088 20 0 GIADRO O=C([C@@H]1C[C@@H]1c1cccc(Cl)c1)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000186608142 822923121 /nfs/dbraw/zinc/92/31/21/822923121.db2.gz JYHYZAQYTNMOIB-PWRODBHTSA-N 1 0 383.923 4.009 20 0 GIADRO COc1ccc([C@H](C)NC(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1F ZINC000054953222 822924630 /nfs/dbraw/zinc/92/46/30/822924630.db2.gz BVXAKJCWYNPSKG-KRWDZBQOSA-N 1 0 399.510 4.381 20 0 GIADRO Fc1ccc(C[NH+]2CCC(NC(=S)Nc3cccc(Cl)c3)CC2)cc1 ZINC000054954892 822924889 /nfs/dbraw/zinc/92/48/89/822924889.db2.gz TWDWEAZPMJGHLO-UHFFFAOYSA-N 1 0 377.916 4.430 20 0 GIADRO C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000457857049 822925925 /nfs/dbraw/zinc/92/59/25/822925925.db2.gz DKCCSCDYOQJGEY-DNVFCKCGSA-N 1 0 392.547 4.022 20 0 GIADRO CC(C)c1ccc([C@H](NC(=O)N2CCN(c3cc[nH+]cc3)CC2)C(C)C)cc1 ZINC000054973359 822926807 /nfs/dbraw/zinc/92/68/07/822926807.db2.gz NAMCWPVPXBWCTQ-JOCHJYFZSA-N 1 0 380.536 4.434 20 0 GIADRO CC(C)[NH2+]C1CCN(c2nnc(CC(C)(C)C)n2CCc2ccccc2)CC1 ZINC000569476134 822927723 /nfs/dbraw/zinc/92/77/23/822927723.db2.gz JPSHRJVUYHWEDE-UHFFFAOYSA-N 1 0 383.584 4.076 20 0 GIADRO Cc1cc(C)c(NC(=S)N[C@H](Cc2ccccc2)C[NH+](C)C)c(Cl)c1 ZINC000054990675 822929112 /nfs/dbraw/zinc/92/91/12/822929112.db2.gz QITLWVYMIJQFQV-QGZVFWFLSA-N 1 0 375.969 4.416 20 0 GIADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cc(C)c(CC)s1 ZINC000175303843 822929937 /nfs/dbraw/zinc/92/99/37/822929937.db2.gz XLSYOTRCHKUKNY-UHFFFAOYSA-N 1 0 387.549 4.022 20 0 GIADRO O=C(N[C@H](C1CC1)C(F)(F)F)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000569500980 822930499 /nfs/dbraw/zinc/93/04/99/822930499.db2.gz GCCIMNSBWHTEQS-GOSISDBHSA-N 1 0 395.469 4.025 20 0 GIADRO Cc1nc([C@H]2CCCN2C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)cs1 ZINC000186656527 822930718 /nfs/dbraw/zinc/93/07/18/822930718.db2.gz IAPOAIVXMXMAHM-NHCUHLMSSA-N 1 0 398.576 4.444 20 0 GIADRO C[C@@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)[N@H+](C)CCc1ccc(F)cc1 ZINC000055024669 822932084 /nfs/dbraw/zinc/93/20/84/822932084.db2.gz DREYVSKKWGCYOC-VIFPVBQESA-N 1 0 390.327 4.023 20 0 GIADRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc(Br)c(C)c2)cc1 ZINC000569511008 822932123 /nfs/dbraw/zinc/93/21/23/822932123.db2.gz AQACOHRSMXSOIJ-AWEZNQCLSA-N 1 0 396.350 4.402 20 0 GIADRO C[C@H](CNC(=O)NC1(c2cccc(C(F)(F)F)c2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000569511502 822932364 /nfs/dbraw/zinc/93/23/64/822932364.db2.gz HYMRUIWWIJIOGE-LSDHHAIUSA-N 1 0 383.458 4.114 20 0 GIADRO COc1cc(C[NH2+]C[C@@H]2CCCSC2)cc(Br)c1OC(F)F ZINC000569524649 822934386 /nfs/dbraw/zinc/93/43/86/822934386.db2.gz DXSMSEALFPHSFI-JTQLQIEISA-N 1 0 396.297 4.292 20 0 GIADRO O=C(Nc1ccc(-n2cccn2)c(Cl)c1)NC1CC[NH+](C2CCCC2)CC1 ZINC000175322511 822934848 /nfs/dbraw/zinc/93/48/48/822934848.db2.gz GLIHEXXVISSWPJ-UHFFFAOYSA-N 1 0 387.915 4.054 20 0 GIADRO COC[C@H]([NH2+][C@@H](C)CC(=O)Nc1ccccc1OC)c1cccc(Cl)c1 ZINC000569528162 822934954 /nfs/dbraw/zinc/93/49/54/822934954.db2.gz PYYXVAXVXIJMIG-KSSFIOAISA-N 1 0 376.884 4.043 20 0 GIADRO O=C1CCc2cc(NC3CC[NH+](Cc4ccccc4)CC3)ccc2N1CC1CC1 ZINC000186677411 822935365 /nfs/dbraw/zinc/93/53/65/822935365.db2.gz OVPWHWIIKVMNLI-UHFFFAOYSA-N 1 0 389.543 4.452 20 0 GIADRO COc1ccc([C@H](C)NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1F ZINC000175327107 822936122 /nfs/dbraw/zinc/93/61/22/822936122.db2.gz XHNRKVMXEVNARR-ABSDTBQOSA-N 1 0 399.510 4.248 20 0 GIADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)NC(C)(C)CC1CCCCCC1 ZINC000186680628 822936240 /nfs/dbraw/zinc/93/62/40/822936240.db2.gz QHOLNCCBYDLWSR-UHFFFAOYSA-N 1 0 388.556 4.108 20 0 GIADRO C[NH2+]C[C@H]1CCN(C(=O)Nc2ccc(-c3ccc(Cl)cc3Cl)nc2)C1 ZINC000569556637 822939420 /nfs/dbraw/zinc/93/94/20/822939420.db2.gz PGZPGCLCIHXKPH-GFCCVEGCSA-N 1 0 379.291 4.129 20 0 GIADRO COc1ccc(NC(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1Cc1ccccc1 ZINC000569555493 822939470 /nfs/dbraw/zinc/93/94/70/822939470.db2.gz UXZQDGINTDRMIK-UXHICEINSA-N 1 0 393.531 4.139 20 0 GIADRO COc1ccc(NC(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1Cc1ccccc1 ZINC000569555495 822939501 /nfs/dbraw/zinc/93/95/01/822939501.db2.gz UXZQDGINTDRMIK-WOJBJXKFSA-N 1 0 393.531 4.139 20 0 GIADRO O=C(CC[N@@H+]1CC[C@]2(C1)OCc1ccccc12)Nc1c(Cl)cccc1Cl ZINC000186708220 822941688 /nfs/dbraw/zinc/94/16/88/822941688.db2.gz GZTBTOSQXUAKDQ-HXUWFJFHSA-N 1 0 391.298 4.453 20 0 GIADRO C[NH+](C)C[C@@H](CNC(=O)CCc1ccc(F)cc1F)c1ccc(Cl)cc1 ZINC000569583874 822942223 /nfs/dbraw/zinc/94/22/23/822942223.db2.gz ZKHVLTXEJLDFCZ-MRXNPFEDSA-N 1 0 380.866 4.012 20 0 GIADRO COc1ccc2c(c1)oc(C(=O)NC1CC[NH+](C3CC3)CC1)c2-c1ccccc1 ZINC000055166066 822943041 /nfs/dbraw/zinc/94/30/41/822943041.db2.gz ZTBMQSLJVDIRQK-UHFFFAOYSA-N 1 0 390.483 4.465 20 0 GIADRO Cc1ccc2c(c1)CC[C@@H]2NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457952248 822943128 /nfs/dbraw/zinc/94/31/28/822943128.db2.gz GZIVWNXUTAVXCH-SFHVURJKSA-N 1 0 383.458 4.041 20 0 GIADRO c1cnn(Cc2cccc(C[NH2+]Cc3ccccc3OCc3cccnc3)c2)c1 ZINC000055171973 822943208 /nfs/dbraw/zinc/94/32/08/822943208.db2.gz MXGDCUHGLNLDCB-UHFFFAOYSA-N 1 0 384.483 4.195 20 0 GIADRO CCC[NH+]1CCN(C(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)CC1 ZINC000055171331 822943261 /nfs/dbraw/zinc/94/32/61/822943261.db2.gz BFSFQZQBSOJNCR-UHFFFAOYSA-N 1 0 396.318 4.135 20 0 GIADRO Cc1cccc(CC[NH+]2CCN(CCc3ccc(Cl)c(Cl)c3)CC2)n1 ZINC000569600110 822943507 /nfs/dbraw/zinc/94/35/07/822943507.db2.gz MKIZOTWBRIQKCB-UHFFFAOYSA-N 1 0 378.347 4.100 20 0 GIADRO COC(=O)[C@@H](NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1ccc(F)cc1 ZINC000569618916 822945677 /nfs/dbraw/zinc/94/56/77/822945677.db2.gz KVTMCBCNLFLMOR-JTSKRJEESA-N 1 0 384.495 4.062 20 0 GIADRO C[C@H](NC(=O)NC(C)(C)CCC[NH+](C)C)c1ccc(OCC(F)(F)F)cc1 ZINC000457974636 822946471 /nfs/dbraw/zinc/94/64/71/822946471.db2.gz CMDWZWFXLMGCNU-AWEZNQCLSA-N 1 0 389.462 4.108 20 0 GIADRO CN(Cc1ccccc1)c1ccccc1NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000175361789 822946553 /nfs/dbraw/zinc/94/65/53/822946553.db2.gz CQQVWPHNNORESQ-NRFANRHFSA-N 1 0 392.547 4.273 20 0 GIADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@H](c2c(Cl)cccc2Cl)C2CC2)C1 ZINC000569626424 822946750 /nfs/dbraw/zinc/94/67/50/822946750.db2.gz JLCCKSZUXZMSRM-ACJLOTCBSA-N 1 0 384.351 4.474 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)Nc2ccc(C)c(NC(=O)C(C)(C)C)c2)CC1 ZINC000175370504 822949179 /nfs/dbraw/zinc/94/91/79/822949179.db2.gz OHMVVJWCDNOSRR-UHFFFAOYSA-N 1 0 388.556 4.318 20 0 GIADRO C[C@H](C[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1)c1nccs1 ZINC000186754160 822950059 /nfs/dbraw/zinc/95/00/59/822950059.db2.gz MFGWEMKZYNUFPP-NEPJUHHUSA-N 1 0 382.327 4.016 20 0 GIADRO COc1ccc(CCC(=O)NCc2ccccc2C[NH+]2CCCC2)cc1Cl ZINC000055293456 822950272 /nfs/dbraw/zinc/95/02/72/822950272.db2.gz VIIYFXIKDSQAHV-UHFFFAOYSA-N 1 0 386.923 4.193 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)Nc2ccc(C)c(C(=O)N(C)C)c2)cc1)C(C)C ZINC000175373601 822950388 /nfs/dbraw/zinc/95/03/88/822950388.db2.gz SVGKDODJHAWZRD-UHFFFAOYSA-N 1 0 381.520 4.179 20 0 GIADRO CC[C@H]1[C@H](C)CCN1C(=O)Nc1ccc(OC)c(OCC[NH+](CC)CC)c1 ZINC000186773450 822953066 /nfs/dbraw/zinc/95/30/66/822953066.db2.gz IUICOUVFKLKBDM-AEFFLSMTSA-N 1 0 377.529 4.068 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000175382678 822953130 /nfs/dbraw/zinc/95/31/30/822953130.db2.gz DAKXTZDTOMWZHJ-QRVBRYPASA-N 1 0 393.597 4.000 20 0 GIADRO Cc1ccc2[nH]c([C@H]3CCC[N@@H+]3CC3CCN(C(=O)C(C)(C)C)CC3)nc2c1 ZINC000569675954 822954017 /nfs/dbraw/zinc/95/40/17/822954017.db2.gz LMUYODPOHVESEE-HXUWFJFHSA-N 1 0 382.552 4.293 20 0 GIADRO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+](Cc2ccc3c(c2)nnn3C)C1 ZINC000569679801 822954577 /nfs/dbraw/zinc/95/45/77/822954577.db2.gz RZPSEPFBQYMEQC-GOSISDBHSA-N 1 0 388.519 4.279 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H](C(F)(F)F)C[C@@H]1C)c1ccco1 ZINC000458063534 822954807 /nfs/dbraw/zinc/95/48/07/822954807.db2.gz FXIJIGRYVISBET-RRFJBIMHSA-N 1 0 375.435 4.035 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)Nc2ccc(Oc3cccc(C(F)(F)F)n3)cc2)CC[NH2+]1 ZINC000569691358 822955684 /nfs/dbraw/zinc/95/56/84/822955684.db2.gz GONVMYHRWPUZNW-OCCSQVGLSA-N 1 0 394.397 4.155 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccccc2CN2CCc3ccccc32)CC[N@@H+]1C ZINC000175389233 822955802 /nfs/dbraw/zinc/95/58/02/822955802.db2.gz BTFHBYHVUCATGF-NQIIRXRSSA-N 1 0 392.547 4.196 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)N(C)[C@H]1C[C@H](c2cccc(OC)c2)C1)c1ccco1 ZINC000458082045 822956371 /nfs/dbraw/zinc/95/63/71/822956371.db2.gz WPKJPHCHNZZYPJ-SFHLNBCPSA-N 1 0 399.535 4.259 20 0 GIADRO CSc1cccc(C)c1NC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000186793621 822956393 /nfs/dbraw/zinc/95/63/93/822956393.db2.gz SPXXTYRXLHHYMW-UHFFFAOYSA-N 1 0 391.581 4.073 20 0 GIADRO Cc1cnc([C@H](NC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C2CC2)s1 ZINC000175393200 822957136 /nfs/dbraw/zinc/95/71/36/822957136.db2.gz JXDPCOBEBTVPTM-HXUWFJFHSA-N 1 0 398.576 4.175 20 0 GIADRO Cc1sc(CC[NH2+]Cc2cc(-c3cccnc3)n[nH]2)nc1-c1ccccc1 ZINC000569704937 822957188 /nfs/dbraw/zinc/95/71/88/822957188.db2.gz WNQOPXHDIVLJSC-UHFFFAOYSA-N 1 0 375.501 4.236 20 0 GIADRO Cc1oc(-c2cccs2)nc1CC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000186802404 822957782 /nfs/dbraw/zinc/95/77/82/822957782.db2.gz NGICMCFIBJHIBM-UHFFFAOYSA-N 1 0 389.565 4.415 20 0 GIADRO COc1ccc2c(c1)CCC[C@H]2CC(=O)N(C)CCC[N@H+](C)Cc1ccco1 ZINC000569717741 822958635 /nfs/dbraw/zinc/95/86/35/822958635.db2.gz HEOHFOYMTPRNIF-IBGZPJMESA-N 1 0 384.520 4.079 20 0 GIADRO CC[C@H](NC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1ccncc1 ZINC000175398628 822958994 /nfs/dbraw/zinc/95/89/94/822958994.db2.gz LLLRGLUSOYJWIL-AVRDEDQJSA-N 1 0 380.536 4.264 20 0 GIADRO CN(CC[N@H+](C)C1CC1)C(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000186809577 822959089 /nfs/dbraw/zinc/95/90/89/822959089.db2.gz OKZOSHPEENQEKX-UHFFFAOYSA-N 1 0 375.472 4.175 20 0 GIADRO CC1CC[NH+]([C@@H](CNC(=O)Cc2cccc3cccnc32)c2cccs2)CC1 ZINC000055416277 822959205 /nfs/dbraw/zinc/95/92/05/822959205.db2.gz LXRJEWIWVYWIKB-FQEVSTJZSA-N 1 0 393.556 4.428 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)c2ccc(-c3ccc(Br)s3)s2)CC[NH2+]1 ZINC000569723522 822959429 /nfs/dbraw/zinc/95/94/29/822959429.db2.gz LIHOZGPHJJCUJA-NXEZZACHSA-N 1 0 385.352 4.109 20 0 GIADRO O=C(c1cc2ccccc2n1Cc1ccccc1F)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000569738021 822961191 /nfs/dbraw/zinc/96/11/91/822961191.db2.gz QGNLZAVNFTZEBT-XMMPIXPASA-N 1 0 391.490 4.044 20 0 GIADRO C[C@@H](c1nc2ccccc2s1)N(C)C(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000569738802 822961433 /nfs/dbraw/zinc/96/14/33/822961433.db2.gz GMKAWURBISOZEZ-FUHWJXTLSA-N 1 0 379.529 4.338 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)N2[C@H](C)[C@H](CC(F)(F)F)C[C@@H]2C)c1 ZINC000458139204 822961835 /nfs/dbraw/zinc/96/18/35/822961835.db2.gz KMTMFUZMPWLCAA-DAYGRLMNSA-N 1 0 385.474 4.399 20 0 GIADRO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CCCc1nc(-c2ccccc2)no1 ZINC000175413118 822962605 /nfs/dbraw/zinc/96/26/05/822962605.db2.gz QWNMMAYKJSKJPE-CHAGWJKLSA-N 1 0 383.517 4.100 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)N[C@H]2CCc3cc(F)c(F)c(F)c32)c1 ZINC000458147524 822962636 /nfs/dbraw/zinc/96/26/36/822962636.db2.gz OESXORUPAPKSKS-KRWDZBQOSA-N 1 0 391.437 4.042 20 0 GIADRO CC[C@H]([NH2+][C@@H]1CCCc2c(O)cccc21)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000569751951 822963566 /nfs/dbraw/zinc/96/35/66/822963566.db2.gz XAFFFTOEPNUUBF-XJUOHMSHSA-N 1 0 376.504 4.327 20 0 GIADRO Cc1ccc([C@H](CNC(=O)N2CC(C)(C)[C@H]2c2ccncc2)[NH+]2CCCC2)cc1 ZINC000458158580 822963595 /nfs/dbraw/zinc/96/35/95/822963595.db2.gz VRMREIZYRRJGRU-FCHUYYIVSA-N 1 0 392.547 4.320 20 0 GIADRO CCCC[NH+]1CCC(NC(=O)N2CC(c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000458168415 822964498 /nfs/dbraw/zinc/96/44/98/822964498.db2.gz SANVQYJFTWFLLQ-UHFFFAOYSA-N 1 0 383.458 4.079 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)c1ccc2c(c1)NC(=O)CO2)C1CCCCC1 ZINC000055454330 822964948 /nfs/dbraw/zinc/96/49/48/822964948.db2.gz KDUZJYBAWJSWLM-UHFFFAOYSA-N 1 0 393.487 4.034 20 0 GIADRO C[C@]12CCC[N@@H+]1C[C@H](c1noc(-c3cccc(OC4CCCCC4)c3)n1)OC2 ZINC000569766688 822965714 /nfs/dbraw/zinc/96/57/14/822965714.db2.gz JPETYPRKJWLHMK-DENIHFKCSA-N 1 0 383.492 4.374 20 0 GIADRO CC(=O)c1cc(C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccc(C)s3)C2)ccc1C ZINC000569768847 822966319 /nfs/dbraw/zinc/96/63/19/822966319.db2.gz RXVMEXQAUYGFSW-GOSISDBHSA-N 1 0 384.545 4.162 20 0 GIADRO COc1cc(C)c(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1F ZINC000186848771 822967317 /nfs/dbraw/zinc/96/73/17/822967317.db2.gz HDMHTLACFYZAHJ-YQQQUEKLSA-N 1 0 397.494 4.460 20 0 GIADRO CS(=O)(=O)CCCCC[NH2+][C@@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000186852576 822967883 /nfs/dbraw/zinc/96/78/83/822967883.db2.gz BEWDEJMHQZECBW-IBGZPJMESA-N 1 0 383.916 4.373 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)CCCc1ncc(-c2ccccc2)o1 ZINC000458204457 822968539 /nfs/dbraw/zinc/96/85/39/822968539.db2.gz QJPMMCXBYSIPBQ-UHFFFAOYSA-N 1 0 397.544 4.316 20 0 GIADRO Cc1nc(C(=O)Nc2ccc(OCC[NH+](C)C)c(C)c2)c(-c2ccccc2)o1 ZINC000458226930 822971122 /nfs/dbraw/zinc/97/11/22/822971122.db2.gz ZVCHAUNLWSFGPH-UHFFFAOYSA-N 1 0 379.460 4.151 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]CCCCCS(C)(=O)=O ZINC000186868069 822971390 /nfs/dbraw/zinc/97/13/90/822971390.db2.gz SHXCBRGTPUHXGO-OAHLLOKOSA-N 1 0 380.579 4.292 20 0 GIADRO C[C@@H](C(=O)N1CCC(OCC[NH+]2CCCC2)CC1)c1ccc2ccccc2c1 ZINC000175457737 822973830 /nfs/dbraw/zinc/97/38/30/822973830.db2.gz JJSPWGSSSGLZOH-LJQANCHMSA-N 1 0 380.532 4.047 20 0 GIADRO CCNC(=O)c1cccc(NC(=O)C[NH2+][C@@H](C)c2ccc(F)c3ccccc32)c1 ZINC000569848522 822975584 /nfs/dbraw/zinc/97/55/84/822975584.db2.gz SUHGTCZIVMGVIC-HNNXBMFYSA-N 1 0 393.462 4.018 20 0 GIADRO C[C@H](Cc1cccc(F)c1)N(C)C(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000458268169 822975957 /nfs/dbraw/zinc/97/59/57/822975957.db2.gz HXGLVCDNMOIDRV-QGZVFWFLSA-N 1 0 386.536 4.078 20 0 GIADRO CC[NH+](CC)CCCNC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000055544977 822976708 /nfs/dbraw/zinc/97/67/08/822976708.db2.gz HBEAYONGHRCWJQ-UHFFFAOYSA-N 1 0 377.488 4.470 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)CCc1c[nH]c2ccccc12 ZINC000055553009 822977591 /nfs/dbraw/zinc/97/75/91/822977591.db2.gz WJHHLBZPEUJKRS-UHFFFAOYSA-N 1 0 379.504 4.460 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)Nc1ccc(OC2CCC2)c(F)c1 ZINC000175475694 822977841 /nfs/dbraw/zinc/97/78/41/822977841.db2.gz NARQUVDRBHAZSF-SFHVURJKSA-N 1 0 387.455 4.309 20 0 GIADRO CCCN(CC)C(=O)c1ccc(C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)cc1 ZINC000458287991 822978614 /nfs/dbraw/zinc/97/86/14/822978614.db2.gz POAFCCZJJMXJBA-UHFFFAOYSA-N 1 0 381.520 4.181 20 0 GIADRO COc1ccc(NC(=O)C[C@@H](C)[NH2+]CC2CC(c3ccccc3)C2)c(OC)c1 ZINC000569870802 822978830 /nfs/dbraw/zinc/97/88/30/822978830.db2.gz LZSOYZKJIAWCIZ-LRYGQEGESA-N 1 0 382.504 4.204 20 0 GIADRO Cc1cc(C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)c(C)n1Cc1ccccn1 ZINC000458289359 822979114 /nfs/dbraw/zinc/97/91/14/822979114.db2.gz QKDBBYBZPIMTEX-UHFFFAOYSA-N 1 0 376.504 4.171 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(c2ccc(Br)c(C(F)(F)F)n2)CC1 ZINC000569876289 822979336 /nfs/dbraw/zinc/97/93/36/822979336.db2.gz KCZOOFSZVLJPEN-UHFFFAOYSA-N 1 0 394.279 4.420 20 0 GIADRO Cc1[nH]ccc1C(=O)Nc1ccc(C[NH+]2CCN(c3cccc(C)c3)CC2)cc1 ZINC000175481086 822979415 /nfs/dbraw/zinc/97/94/15/822979415.db2.gz BAGSSXYSCJZUHJ-UHFFFAOYSA-N 1 0 388.515 4.206 20 0 GIADRO CCC[C@H](C)C[NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1F ZINC000569877404 822979701 /nfs/dbraw/zinc/97/97/01/822979701.db2.gz WBORELUHEPSDSS-VBKZILBWSA-N 1 0 381.488 4.484 20 0 GIADRO Cc1ccc(OC[C@@H](O)C[NH2+]Cc2cccc(OCc3ccccc3)c2)cc1 ZINC000569898117 822982837 /nfs/dbraw/zinc/98/28/37/822982837.db2.gz UHOWORIXTHSFRR-QFIPXVFZSA-N 1 0 377.484 4.104 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3ocnc3-c3ccccc3)c(C)c2)CC1 ZINC000569898248 822982881 /nfs/dbraw/zinc/98/28/81/822982881.db2.gz XBDMBONNFMENHA-UHFFFAOYSA-N 1 0 390.487 4.044 20 0 GIADRO C[C@H]([NH2+][C@H](c1ccccc1)c1ccc(Cl)cc1)C1CCS(=O)(=O)CC1 ZINC000186934985 822983192 /nfs/dbraw/zinc/98/31/92/822983192.db2.gz YLXMCZGXUDVYIZ-MGPUTAFESA-N 1 0 377.937 4.232 20 0 GIADRO C[C@@H]([NH2+][C@H](c1ccccc1)c1ccc(Cl)cc1)C1CCS(=O)(=O)CC1 ZINC000186935001 822983386 /nfs/dbraw/zinc/98/33/86/822983386.db2.gz YLXMCZGXUDVYIZ-FOIQADDNSA-N 1 0 377.937 4.232 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)cc1F ZINC000458325922 822983538 /nfs/dbraw/zinc/98/35/38/822983538.db2.gz UMZYSJVUOXNILU-STQMWFEESA-N 1 0 376.394 4.073 20 0 GIADRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccsc1)c1nc(C(C)(C)C)cs1 ZINC000458328557 822983768 /nfs/dbraw/zinc/98/37/68/822983768.db2.gz BFJZLDFPRUGACE-AWEZNQCLSA-N 1 0 394.610 4.337 20 0 GIADRO CC1CC[NH+]([C@@H](CNC(=O)[C@@H]2C[C@H]2c2cccc(O)c2)c2cccs2)CC1 ZINC000569906700 822984077 /nfs/dbraw/zinc/98/40/77/822984077.db2.gz MPJLKRNPVVMVSG-ZCNNSNEGSA-N 1 0 384.545 4.147 20 0 GIADRO C[C@H]([NH2+]CCCn1cnc2ccccc21)c1ncc(Br)cc1F ZINC000186947069 822984718 /nfs/dbraw/zinc/98/47/18/822984718.db2.gz MIWORVFUXXRSGT-LBPRGKRZSA-N 1 0 377.261 4.074 20 0 GIADRO COc1cc(C[N@H+](CCc2ccccc2)Cc2cccnc2)cc(OC)c1OC ZINC000569916643 822985496 /nfs/dbraw/zinc/98/54/96/822985496.db2.gz SBJFQPKQFARGOD-UHFFFAOYSA-N 1 0 392.499 4.352 20 0 GIADRO C[C@@H](NC(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000175505650 822985551 /nfs/dbraw/zinc/98/55/51/822985551.db2.gz BYFABZMNUMUGAE-HXUWFJFHSA-N 1 0 395.547 4.118 20 0 GIADRO Cn1c2ccccc2nc1[C@H]1CCCN1C(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000569923192 822986040 /nfs/dbraw/zinc/98/60/40/822986040.db2.gz GKOPECSGOSVVML-GHTZIAJQSA-N 1 0 382.552 4.315 20 0 GIADRO Cc1ccc(C[C@@H](C)NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)c(C)c1 ZINC000458359852 822986846 /nfs/dbraw/zinc/98/68/46/822986846.db2.gz GUVCPLIISKVIGR-QGZVFWFLSA-N 1 0 399.501 4.293 20 0 GIADRO CC1CC[NH+](CCCCNC(=O)N2CC[C@H](CSc3ccccc3)C2)CC1 ZINC000175511279 822987355 /nfs/dbraw/zinc/98/73/55/822987355.db2.gz LKOPAYGYFAIGPV-FQEVSTJZSA-N 1 0 389.609 4.322 20 0 GIADRO CN1C(=O)CCc2cc(C[NH+]3CCC([C@H](O)c4ccc(Cl)cc4)CC3)ccc21 ZINC000186962436 822988137 /nfs/dbraw/zinc/98/81/37/822988137.db2.gz GKLHXULLLMANIH-HSZRJFAPSA-N 1 0 398.934 4.195 20 0 GIADRO C[C@H](N[C@@H]1CCN([C@@H](C)c2ccc(F)cc2)C1=O)c1ncc(-c2ccccc2)o1 ZINC000569944827 822988345 /nfs/dbraw/zinc/98/83/45/822988345.db2.gz HGNYCBNFYVIYGS-TWOQFEAHSA-N 1 0 393.462 4.493 20 0 GIADRO CC[NH+]1CCC(CNC(=O)N(Cc2c(Cl)cccc2Cl)C2CC2)CC1 ZINC000569948790 822988744 /nfs/dbraw/zinc/98/87/44/822988744.db2.gz QFQOAUURNUAEKW-UHFFFAOYSA-N 1 0 384.351 4.399 20 0 GIADRO C[C@H](NCc1cccc(C[NH+]2CCCC2)c1)c1ncc(Br)cc1F ZINC000186965976 822988823 /nfs/dbraw/zinc/98/88/23/822988823.db2.gz HWWZFORTWYILPJ-AWEZNQCLSA-N 1 0 392.316 4.430 20 0 GIADRO COC(=O)c1csc([C@H](C)[NH2+]CCCc2nc(-c3ccc(F)cc3)no2)c1 ZINC000569949529 822989020 /nfs/dbraw/zinc/98/90/20/822989020.db2.gz APWGLMBGQWTTLD-LBPRGKRZSA-N 1 0 389.452 4.007 20 0 GIADRO C[C@@H]1C[NH+](CC2CCN(C(=O)Nc3cccc(C(C)(F)F)c3)CC2)C[C@@H](C)O1 ZINC000186969288 822989412 /nfs/dbraw/zinc/98/94/12/822989412.db2.gz MSMVINBRMUWFJA-HZPDHXFCSA-N 1 0 395.494 4.151 20 0 GIADRO C[C@H]([NH2+]CCc1cnn(-c2ccccc2)c1)c1ncc(Br)cc1F ZINC000186977685 822991124 /nfs/dbraw/zinc/99/11/24/822991124.db2.gz GOXSRXOEHQPOLN-ZDUSSCGKSA-N 1 0 389.272 4.062 20 0 GIADRO FC(F)(F)c1csc(CC[NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)n1 ZINC000569971039 822991466 /nfs/dbraw/zinc/99/14/66/822991466.db2.gz CDNRNNSTVMJSAK-MRXNPFEDSA-N 1 0 395.494 4.491 20 0 GIADRO Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000175531247 822991884 /nfs/dbraw/zinc/99/18/84/822991884.db2.gz ZENKQSVLDOFRHJ-IBGZPJMESA-N 1 0 394.563 4.241 20 0 GIADRO O=C([C@H]1CC=CCC1)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000175531929 822992105 /nfs/dbraw/zinc/99/21/05/822992105.db2.gz NPRSNVMGKQKPNT-MOPGFXCFSA-N 1 0 380.454 4.256 20 0 GIADRO Cc1ccc(C(=O)N(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)o1 ZINC000175534553 822992521 /nfs/dbraw/zinc/99/25/21/822992521.db2.gz XGKKVSHFQQTAKF-QGZVFWFLSA-N 1 0 380.410 4.115 20 0 GIADRO O=C(/C=C/c1ccco1)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000175535123 822992817 /nfs/dbraw/zinc/99/28/17/822992817.db2.gz XTDDZJGWSAZOFY-BLGFXRMMSA-N 1 0 392.421 4.206 20 0 GIADRO COc1c2ccccc2[nH]c1C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000569980770 822993040 /nfs/dbraw/zinc/99/30/40/822993040.db2.gz XTOKRBYZTNFTHA-LJQANCHMSA-N 1 0 391.515 4.209 20 0 GIADRO CC(C)C[C@H]([NH2+][C@@H](C)c1cncc(Br)c1)C(=O)Nc1nccs1 ZINC000569988144 822993796 /nfs/dbraw/zinc/99/37/96/822993796.db2.gz FGPPOQMNDMBJFU-FZMZJTMJSA-N 1 0 397.342 4.005 20 0 GIADRO CO[C@@H](C)c1nc(C[NH2+][C@H]2CCc3cccc(Br)c3C2)cs1 ZINC000569990900 822994233 /nfs/dbraw/zinc/99/42/33/822994233.db2.gz JJFPPOAKFGTVFZ-AAEUAGOBSA-N 1 0 381.339 4.260 20 0 GIADRO Cc1ccccc1-n1cc(CNCc2ccccc2C[N@H+]2CCC[C@H](C)C2)nn1 ZINC000570003122 822995327 /nfs/dbraw/zinc/99/53/27/822995327.db2.gz MUROJDLNEPJVFF-IBGZPJMESA-N 1 0 389.547 4.097 20 0 GIADRO Cc1ccccc1[C@H](CO)[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000570003855 822995372 /nfs/dbraw/zinc/99/53/72/822995372.db2.gz GXWVVTWRLOSXNF-INIZCTEOSA-N 1 0 399.126 4.343 20 0 GIADRO Cc1c(C)c(C)c(C[NH2+][C@@H]2CCCc3ccc(S(N)(=O)=O)cc32)c(C)c1C ZINC000570012596 822996787 /nfs/dbraw/zinc/99/67/87/822996787.db2.gz QBZLVRAEIDPQKF-JOCHJYFZSA-N 1 0 386.561 4.043 20 0 GIADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cc2cccc(Cl)c2s1 ZINC000570046299 823000499 /nfs/dbraw/zinc/00/04/99/823000499.db2.gz DOXKSXMPRFOXAO-IAGOWNOFSA-N 1 0 392.952 4.052 20 0 GIADRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000570062890 823001964 /nfs/dbraw/zinc/00/19/64/823001964.db2.gz QWGNANWRZQZUTH-HNNXBMFYSA-N 1 0 387.858 4.183 20 0 GIADRO C[C@H](c1ccccc1Cl)N(C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2)C1CC1 ZINC000570064786 823002132 /nfs/dbraw/zinc/00/21/32/823002132.db2.gz UZLTUOHHHMNOJP-HIFRSBDPSA-N 1 0 384.911 4.309 20 0 GIADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N[C@@H]1CCc2ccc(-c3ccccc3)cc21 ZINC000187049021 823003722 /nfs/dbraw/zinc/00/37/22/823003722.db2.gz VAGZCXSWILAXTG-UZUQRXQVSA-N 1 0 375.516 4.124 20 0 GIADRO C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+]Cc1ccc(NS(C)(=O)=O)cc1 ZINC000570075873 823003776 /nfs/dbraw/zinc/00/37/76/823003776.db2.gz QRLDOELFRJGWHT-GXDHUFHOSA-N 1 0 398.450 4.270 20 0 GIADRO CC(C)(NC(=O)NC1CC[NH+](C2CCCCC2)CC1)c1ccc(F)c(F)c1 ZINC000175614477 823006847 /nfs/dbraw/zinc/00/68/47/823006847.db2.gz VWISXVGRYMOEOX-UHFFFAOYSA-N 1 0 379.495 4.296 20 0 GIADRO COc1ccccc1[C@H]1CC[C@@H](C)C[N@@H+]1CCc1c(C)nc2ccccn2c1=O ZINC000570130559 823008634 /nfs/dbraw/zinc/00/86/34/823008634.db2.gz SESAQGOBKZMCET-DYESRHJHSA-N 1 0 391.515 4.027 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H](CC(C)C)c2ccccc2OC)C1 ZINC000175625165 823008876 /nfs/dbraw/zinc/00/88/76/823008876.db2.gz KFLQFVULRJFFLA-QUCCMNQESA-N 1 0 375.557 4.156 20 0 GIADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1sc2ccccc2c1Br ZINC000570135210 823009013 /nfs/dbraw/zinc/00/90/13/823009013.db2.gz JYZZEISDLZCTQQ-STQMWFEESA-N 1 0 379.323 4.020 20 0 GIADRO COc1ccc([C@@H](C)NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)cc1F ZINC000175628237 823009474 /nfs/dbraw/zinc/00/94/74/823009474.db2.gz KESQSRNYWNAIHC-QGZVFWFLSA-N 1 0 399.510 4.201 20 0 GIADRO CCCN(C[C@@H]1CCCCO1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000175628861 823009668 /nfs/dbraw/zinc/00/96/68/823009668.db2.gz HTPOEXRSXHXTMA-FCEUIQTBSA-N 1 0 387.568 4.030 20 0 GIADRO COc1cc(NC(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)ccc1F ZINC000187099454 823010425 /nfs/dbraw/zinc/01/04/25/823010425.db2.gz UWNXFHGJYTVASP-MRXNPFEDSA-N 1 0 377.504 4.343 20 0 GIADRO C[C@H]1C[C@H](NC(=O)N2CCC(C(F)(F)F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000175635864 823010534 /nfs/dbraw/zinc/01/05/34/823010534.db2.gz JMJSITCWCVFBAK-MAUKXSAKSA-N 1 0 383.458 4.023 20 0 GIADRO CC[N@H+](C[C@H](O)c1ccc(F)cc1Cl)CC1CCN(c2ccccn2)CC1 ZINC000187101559 823010576 /nfs/dbraw/zinc/01/05/76/823010576.db2.gz MTOZSSVNXGBLSW-FQEVSTJZSA-N 1 0 391.918 4.146 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)N2CCC[C@H](c3nccs3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000175636796 823010701 /nfs/dbraw/zinc/01/07/01/823010701.db2.gz LIETYWFENDUHFA-HOJAQTOUSA-N 1 0 398.576 4.085 20 0 GIADRO COC(=O)CC[N@H+](Cc1nc(-c2ccccc2Cl)cs1)C1CCOCC1 ZINC000187102758 823010976 /nfs/dbraw/zinc/01/09/76/823010976.db2.gz OEPWMVZOWAQZFD-UHFFFAOYSA-N 1 0 394.924 4.008 20 0 GIADRO Cc1ccccc1[C@H](OC[C@@H](O)C[NH2+][C@H]1CCOC2(CCC2)C1)c1ccccc1 ZINC000570155649 823011150 /nfs/dbraw/zinc/01/11/50/823011150.db2.gz ONYUIAJVJWJDDI-WPFOTENUSA-N 1 0 395.543 4.153 20 0 GIADRO COc1cc(CN(C)C(=O)C[C@@H]2CCCC[C@@H]2[NH3+])ccc1OCc1ccccc1 ZINC000570158073 823011220 /nfs/dbraw/zinc/01/12/20/823011220.db2.gz MOJKEDLBBKBCDL-SFTDATJTSA-N 1 0 396.531 4.140 20 0 GIADRO C[C@H]([NH2+][C@H](c1ccccc1)c1cccc(Cl)c1)C1CCS(=O)(=O)CC1 ZINC000187108537 823011452 /nfs/dbraw/zinc/01/14/52/823011452.db2.gz VGCQJIHWHYABHN-MGPUTAFESA-N 1 0 377.937 4.232 20 0 GIADRO CCCOc1ccc(NC(=O)NC2CC[NH+](CCOC(C)C)CC2)cc1Cl ZINC000175642431 823011650 /nfs/dbraw/zinc/01/16/50/823011650.db2.gz JHHYTKFCJHTJGN-UHFFFAOYSA-N 1 0 397.947 4.140 20 0 GIADRO Cc1cccc(-c2cncc(C(=O)N3CC[C@H](c4ccc(F)cc4)[C@@H]([NH3+])C3)c2)c1 ZINC000570166008 823011710 /nfs/dbraw/zinc/01/17/10/823011710.db2.gz HWWQRKRLAMWMNL-PKTZIBPZSA-N 1 0 389.474 4.153 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)N2CCC(OC3CCCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000175645671 823012167 /nfs/dbraw/zinc/01/21/67/823012167.db2.gz BBDHNQVWROHJBZ-CTNGQTDRSA-N 1 0 399.579 4.173 20 0 GIADRO C[C@H]1C[C@H](NC(=O)N2CCC(OC3CCCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000175645653 823012234 /nfs/dbraw/zinc/01/22/34/823012234.db2.gz BBDHNQVWROHJBZ-PZJWPPBQSA-N 1 0 399.579 4.173 20 0 GIADRO CN1C(=O)CCc2cc(C[NH2+]C[C@@H](c3cccc(Cl)c3)N3CCCC3)ccc21 ZINC000187120662 823013541 /nfs/dbraw/zinc/01/35/41/823013541.db2.gz OCVSGRXBROLMFM-QFIPXVFZSA-N 1 0 397.950 4.176 20 0 GIADRO C[C@H]([NH2+][C@@H](Cc1cccc(F)c1)c1cccc(F)c1)C1CCS(=O)(=O)CC1 ZINC000187121479 823013760 /nfs/dbraw/zinc/01/37/60/823013760.db2.gz PMYHTIFIFWMTRV-BTYIYWSLSA-N 1 0 393.499 4.052 20 0 GIADRO CCN(C(=O)NCc1ccc(F)c(C[NH+](C)C)c1)[C@H](C)Cc1ccsc1 ZINC000187124347 823014008 /nfs/dbraw/zinc/01/40/08/823014008.db2.gz NYJIKWAMSVKIKO-OAHLLOKOSA-N 1 0 377.529 4.112 20 0 GIADRO Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2COc3ccc(F)cc3C2)c(Cl)c1 ZINC000570196704 823014351 /nfs/dbraw/zinc/01/43/51/823014351.db2.gz CPGNOFGSXNIPFA-XJKSGUPXSA-N 1 0 376.859 4.098 20 0 GIADRO O[C@H](C[NH2+][C@H]1CCO[C@H](c2ccc(F)cc2)C1)Cc1ccc2ccccc2c1 ZINC000570202803 823014733 /nfs/dbraw/zinc/01/47/33/823014733.db2.gz RTLICPPOQAWJII-HJOGWXRNSA-N 1 0 379.475 4.392 20 0 GIADRO CCc1cc(CNC(=O)Nc2ccc(SCC[NH+]3CCCCC3)cc2)on1 ZINC000570207858 823015253 /nfs/dbraw/zinc/01/52/53/823015253.db2.gz QSHWRNAKXAYKIV-UHFFFAOYSA-N 1 0 388.537 4.137 20 0 GIADRO Cc1cc(C[NH2+][C@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)cc(N2CCCC2)n1 ZINC000570209873 823015549 /nfs/dbraw/zinc/01/55/49/823015549.db2.gz VXRRSDALFMRYFP-MRXNPFEDSA-N 1 0 378.520 4.071 20 0 GIADRO Cc1ccc([C@@H](C[NH2+][C@@H](C)c2ncc(Br)cc2F)N2CCCC2)o1 ZINC000187132934 823015585 /nfs/dbraw/zinc/01/55/85/823015585.db2.gz IDHXALRXTWKHAG-XJKSGUPXSA-N 1 0 396.304 4.372 20 0 GIADRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1c(F)c(F)cc(F)c1F ZINC000175666570 823015983 /nfs/dbraw/zinc/01/59/83/823015983.db2.gz PTLRJZTYWVTQNI-UHFFFAOYSA-N 1 0 398.425 4.353 20 0 GIADRO Cc1ccnc(-c2noc(CN3CCC(c4nc5cccc(C)c5o4)CC3)n2)c1 ZINC000570221759 823016376 /nfs/dbraw/zinc/01/63/76/823016376.db2.gz CIGPQLRBCWNKLT-UHFFFAOYSA-N 1 0 389.459 4.269 20 0 GIADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)C1 ZINC000175671499 823017199 /nfs/dbraw/zinc/01/71/99/823017199.db2.gz VJFNJNRTLPJULL-IAGOWNOFSA-N 1 0 396.535 4.102 20 0 GIADRO Cc1cc(Br)cc([C@@H](C)[NH2+]Cc2ccc3c(c2)OCCCO3)c1O ZINC000187149195 823017699 /nfs/dbraw/zinc/01/76/99/823017699.db2.gz QTZKMZUOJVXPMR-CYBMUJFWSA-N 1 0 392.293 4.475 20 0 GIADRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCCc2ccc3[nH]ccc3c2)C1 ZINC000570239188 823017813 /nfs/dbraw/zinc/01/78/13/823017813.db2.gz XHZLZMCRCJXTRM-AZUAARDMSA-N 1 0 382.552 4.006 20 0 GIADRO CC(=O)Nc1ccc(CC[NH2+][C@@H](C)c2cc(Br)cc(C)c2O)cc1 ZINC000187155992 823018573 /nfs/dbraw/zinc/01/85/73/823018573.db2.gz YPOGWJCAFNZLRY-ZDUSSCGKSA-N 1 0 391.309 4.315 20 0 GIADRO Cc1cc(C(=O)NC2CC[NH+](CCCCCOc3ccccc3)CC2)c(C)o1 ZINC000187159880 823019012 /nfs/dbraw/zinc/01/90/12/823019012.db2.gz OZQBQJACGWKSKH-UHFFFAOYSA-N 1 0 384.520 4.340 20 0 GIADRO CCC[N@H+](CCc1ccccn1)Cc1cc(Br)c2c(c1)OCCO2 ZINC000570248817 823019124 /nfs/dbraw/zinc/01/91/24/823019124.db2.gz RBAFCQRMTKJAOD-UHFFFAOYSA-N 1 0 391.309 4.070 20 0 GIADRO CC1(C)CCCc2sc(NC(=O)N3CCC[N@@H+](C4CCCC4)CC3)nc21 ZINC000570251298 823019363 /nfs/dbraw/zinc/01/93/63/823019363.db2.gz NNSIPJDGRDWKAR-UHFFFAOYSA-N 1 0 376.570 4.239 20 0 GIADRO CC(=O)Nc1ccc(C)c(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000187162627 823019424 /nfs/dbraw/zinc/01/94/24/823019424.db2.gz JLSIWOUSYJCPNQ-XMSQKQJNSA-N 1 0 393.531 4.079 20 0 GIADRO CC(C)n1c(-c2ccccn2)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000570253358 823019769 /nfs/dbraw/zinc/01/97/69/823019769.db2.gz YZCLGNJFGIPRCY-UHFFFAOYSA-N 1 0 390.535 4.022 20 0 GIADRO O=C(N1CCC[C@@H]([NH+]2CCCC2)CC1)C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000187164858 823019876 /nfs/dbraw/zinc/01/98/76/823019876.db2.gz YFNZKKYJPOAFMZ-GOSISDBHSA-N 1 0 380.454 4.214 20 0 GIADRO C[C@H](NC(=O)CSc1ccc(C(F)(F)F)cn1)[C@@H](c1ccccc1)[NH+](C)C ZINC000187167870 823020051 /nfs/dbraw/zinc/02/00/51/823020051.db2.gz JUKKYFNZIWDRSJ-UGSOOPFHSA-N 1 0 397.466 4.000 20 0 GIADRO C[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccc(Cl)cc1Cl ZINC000570273439 823021639 /nfs/dbraw/zinc/02/16/39/823021639.db2.gz WPNQSVPKUQGFBD-ZBFHGGJFSA-N 1 0 392.330 4.478 20 0 GIADRO C[C@@H]([NH2+]Cc1ccccc1Sc1ccccc1)C1CCS(=O)(=O)CC1 ZINC000187184792 823022116 /nfs/dbraw/zinc/02/21/16/823022116.db2.gz NJPLFPLHRPWBKG-MRXNPFEDSA-N 1 0 375.559 4.141 20 0 GIADRO COC(=O)c1ccc(COc2ccc(C[NH2+][C@@H]3CCC[C@@H](F)C3)cc2OC)o1 ZINC000570281131 823022124 /nfs/dbraw/zinc/02/21/24/823022124.db2.gz XEEYUVYWWRADHR-HZPDHXFCSA-N 1 0 391.439 4.024 20 0 GIADRO O=C(NC1CC[NH+](CC2CC2)CC1)N(Cc1cc(F)ccc1F)C1CCCC1 ZINC000175696142 823022381 /nfs/dbraw/zinc/02/23/81/823022381.db2.gz MARCLMDABHKGSW-UHFFFAOYSA-N 1 0 391.506 4.293 20 0 GIADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](CCC(=O)OC)c2ccccc2)c2ccccc21 ZINC000570286476 823022529 /nfs/dbraw/zinc/02/25/29/823022529.db2.gz UZJQUIGQDVYXPF-FSSWDIPSSA-N 1 0 395.499 4.452 20 0 GIADRO CSc1ccc(O[C@H](C)C(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)cc1 ZINC000175700890 823023203 /nfs/dbraw/zinc/02/32/03/823023203.db2.gz FFYSPAIWBKKPDO-GOSISDBHSA-N 1 0 398.572 4.299 20 0 GIADRO CN1C(=O)CCc2cc(C[NH2+]C3(c4ccc(Br)cc4)CC3)ccc21 ZINC000187196134 823023608 /nfs/dbraw/zinc/02/36/08/823023608.db2.gz IGABBUFKRUSWMH-UHFFFAOYSA-N 1 0 385.305 4.137 20 0 GIADRO C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]CCc1nc2ccccc2n1C(F)F ZINC000570302442 823023849 /nfs/dbraw/zinc/02/38/49/823023849.db2.gz DFYJDJXMOKGIBI-ZDUSSCGKSA-N 1 0 390.409 4.120 20 0 GIADRO CC(C)CC(=O)Nc1ccc(C(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)cc1F ZINC000187200663 823024123 /nfs/dbraw/zinc/02/41/23/823024123.db2.gz WYKQBLWNJHYBSQ-OPAMFIHVSA-N 1 0 399.510 4.232 20 0 GIADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NCc1ccccc1Oc1cccc(F)c1 ZINC000570309429 823024373 /nfs/dbraw/zinc/02/43/73/823024373.db2.gz GFYSOHAYPSHTQB-QGZVFWFLSA-N 1 0 385.483 4.101 20 0 GIADRO C[N@H+](CC/C=C\c1ccc(Br)cc1)CC(=O)NCc1ccccc1 ZINC000570319892 823025537 /nfs/dbraw/zinc/02/55/37/823025537.db2.gz NKMROWDRFXRAHY-ALCCZGGFSA-N 1 0 387.321 4.101 20 0 GIADRO C[C@@H](NC(=O)N1CCc2ccccc2[C@H]1C[NH3+])c1ccccc1C(F)(F)F ZINC000570329206 823026334 /nfs/dbraw/zinc/02/63/34/823026334.db2.gz CFITVQTYHWTVDG-FZKQIMNGSA-N 1 0 377.410 4.034 20 0 GIADRO C[C@H](NC(=O)CCc1ccc(OC(F)F)cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000187226832 823027670 /nfs/dbraw/zinc/02/76/70/823027670.db2.gz JGLRCVBZFZRZPZ-YWZLYKJASA-N 1 0 376.447 4.028 20 0 GIADRO C[C@@H](NC(=O)CCc1ccc(OC(F)F)cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000187226856 823027698 /nfs/dbraw/zinc/02/76/98/823027698.db2.gz JGLRCVBZFZRZPZ-QRWLVFNGSA-N 1 0 376.447 4.028 20 0 GIADRO COc1ccccc1N1CCC([NH2+]Cc2ccc3c(c2)COC(C)(C)O3)CC1 ZINC000187232305 823028353 /nfs/dbraw/zinc/02/83/53/823028353.db2.gz OKZVSRWALNYTBO-UHFFFAOYSA-N 1 0 382.504 4.099 20 0 GIADRO CC[NH+](CC)[C@H](C(=O)Nc1cc(NC(=O)C2CC2)ccc1C)c1ccccc1 ZINC000175734424 823028957 /nfs/dbraw/zinc/02/89/57/823028957.db2.gz PTAYZGOQSQWBGB-NRFANRHFSA-N 1 0 379.504 4.365 20 0 GIADRO C[C@]12CCC[N@@H+]1C[C@@H](c1noc(-c3cc(-c4ccccn4)ccc3Cl)n1)OC2 ZINC000570365806 823029457 /nfs/dbraw/zinc/02/94/57/823029457.db2.gz QYTYUKSMQNAGKZ-GHTZIAJQSA-N 1 0 396.878 4.378 20 0 GIADRO C[C@@]12CCC[N@@H+]1C[C@@H](c1noc(-c3cc(-c4ccccn4)ccc3Cl)n1)OC2 ZINC000570365808 823029524 /nfs/dbraw/zinc/02/95/24/823029524.db2.gz QYTYUKSMQNAGKZ-RXVVDRJESA-N 1 0 396.878 4.378 20 0 GIADRO Cc1nc(-c2cccc(-c3nc([C@@H]4C[N@@H+]5CCC[C@]5(C)CO4)no3)c2)cs1 ZINC000570365869 823029612 /nfs/dbraw/zinc/02/96/12/823029612.db2.gz TWBARTGHWWHWJG-FXAWDEMLSA-N 1 0 382.489 4.094 20 0 GIADRO Fc1cc(C[N@H+](CCc2ccccc2)Cc2cccnc2)ccc1-n1cncn1 ZINC000570365671 823029642 /nfs/dbraw/zinc/02/96/42/823029642.db2.gz OQCFYJGNHSNRQW-UHFFFAOYSA-N 1 0 387.462 4.046 20 0 GIADRO Cc1ccccc1C[C@H](C)NC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000175740742 823030156 /nfs/dbraw/zinc/03/01/56/823030156.db2.gz GIZRNBAEMXNLPO-UNMCSNQZSA-N 1 0 379.548 4.090 20 0 GIADRO C[C@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)c1nc(C(C)(C)C)cs1 ZINC000175743541 823030601 /nfs/dbraw/zinc/03/06/01/823030601.db2.gz YNVKIKIPNQNEQL-AWEZNQCLSA-N 1 0 378.586 4.208 20 0 GIADRO Cc1nc2c(s1)[C@@H]([N@H+](C)C[C@H](O)c1ccc(F)c(Br)c1)CCC2 ZINC000187252669 823030868 /nfs/dbraw/zinc/03/08/68/823030868.db2.gz YWNBPRHIXAVGBP-HOTGVXAUSA-N 1 0 399.329 4.396 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)NCCc3nc4ccccc4s3)ccc21 ZINC000570373557 823030900 /nfs/dbraw/zinc/03/09/00/823030900.db2.gz GGWYXTBEJDDKBH-SFHVURJKSA-N 1 0 380.517 4.209 20 0 GIADRO CSC1(CNC(=O)N[C@@H](CC2CCC2)c2ccccc2)CC[NH+](C)CC1 ZINC000570374346 823031075 /nfs/dbraw/zinc/03/10/75/823031075.db2.gz VFRYYHSABHNVDP-IBGZPJMESA-N 1 0 375.582 4.045 20 0 GIADRO CC[C@H](C)n1ncc(NC(=O)NC[C@@H](C(C)C)[N@@H+]2CCc3ccccc3C2)c1C ZINC000570378754 823031495 /nfs/dbraw/zinc/03/14/95/823031495.db2.gz YSKLNQIAHZSTGD-JTSKRJEESA-N 1 0 397.567 4.367 20 0 GIADRO O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000570380269 823031732 /nfs/dbraw/zinc/03/17/32/823031732.db2.gz PKZRNBKVDXYQRZ-ROUUACIJSA-N 1 0 390.487 4.348 20 0 GIADRO C[C@@H]([NH2+]Cc1ccccc1N1CCOCC1)c1cccc(OC(F)(F)F)c1 ZINC000175752649 823031841 /nfs/dbraw/zinc/03/18/41/823031841.db2.gz YVIYRDUPQOXPAP-OAHLLOKOSA-N 1 0 380.410 4.273 20 0 GIADRO C[C@H](NC(=O)c1cccc(-c2noc(C3CC3)n2)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000187258601 823031908 /nfs/dbraw/zinc/03/19/08/823031908.db2.gz JHRLQRJALQAORV-MGPUTAFESA-N 1 0 390.487 4.035 20 0 GIADRO CCCCc1oc2ccccc2c1CN(C)C(=O)[C@]1([NH3+])C[C@H](OCC)C1(C)C ZINC000187260952 823032197 /nfs/dbraw/zinc/03/21/97/823032197.db2.gz OJVFHJXVCACEHW-NZQKXSOJSA-N 1 0 386.536 4.266 20 0 GIADRO Cc1ccc(-c2cnc(CCC(=O)N[C@@H](C)[C@@H](c3ccccc3)[NH+](C)C)o2)cc1 ZINC000187261851 823032437 /nfs/dbraw/zinc/03/24/37/823032437.db2.gz PUTDNXBBRWVILP-UUOWRZLLSA-N 1 0 391.515 4.390 20 0 GIADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)c2ccc(COc3ccc4ccccc4c3)o2)C1 ZINC000570390585 823032464 /nfs/dbraw/zinc/03/24/64/823032464.db2.gz FEGQRUDBNJMJGZ-QFBILLFUSA-N 1 0 378.472 4.259 20 0 GIADRO CCn1ncc2ccc(NC(=O)N(C)C[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc21 ZINC000175757628 823032834 /nfs/dbraw/zinc/03/28/34/823032834.db2.gz ZYBIQSWGBBJRBS-IBGZPJMESA-N 1 0 391.519 4.042 20 0 GIADRO C[C@H](NC(=O)Cc1csc(-c2cccs2)n1)[C@@H](c1ccccc1)[NH+](C)C ZINC000187267937 823033304 /nfs/dbraw/zinc/03/33/04/823033304.db2.gz FQVOHQWUPXBIRE-LIRRHRJNSA-N 1 0 385.558 4.222 20 0 GIADRO CCn1ncc2ccc(NC(=O)N3CC[C@@H](C)[N@H+](Cc4ccccc4)CC3)cc21 ZINC000175760959 823033607 /nfs/dbraw/zinc/03/36/07/823033607.db2.gz QWSMZVZYZSWGRD-GOSISDBHSA-N 1 0 391.519 4.185 20 0 GIADRO CC(=O)c1cc(C(=O)Nc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)cs1 ZINC000570406071 823033681 /nfs/dbraw/zinc/03/36/81/823033681.db2.gz ATNOAIOOCQQHDY-UHFFFAOYSA-N 1 0 399.516 4.018 20 0 GIADRO CCC(CC)(CNC(=O)N(C)Cc1cccc(C)n1)[NH2+][C@@H](C)c1ccccc1 ZINC000458374843 823033945 /nfs/dbraw/zinc/03/39/45/823033945.db2.gz PFGDSJADENBSDH-IBGZPJMESA-N 1 0 382.552 4.441 20 0 GIADRO COCCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2c2cccc(Cl)c2)cc1 ZINC000570414033 823034748 /nfs/dbraw/zinc/03/47/48/823034748.db2.gz MNKDNLHJXYSJEY-IFMALSPDSA-N 1 0 389.923 4.106 20 0 GIADRO COC[C@@H]1CCCN(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)CC1 ZINC000458382396 823034775 /nfs/dbraw/zinc/03/47/75/823034775.db2.gz JIXAIEZJJHSWLM-HXUWFJFHSA-N 1 0 387.568 4.021 20 0 GIADRO CO[C@H]1CCOc2c(NC(=O)c3cccc(C[NH+]4CCCCC4)c3)cccc21 ZINC000570418619 823035114 /nfs/dbraw/zinc/03/51/14/823035114.db2.gz JXRIJCDOVVNASN-NRFANRHFSA-N 1 0 380.488 4.395 20 0 GIADRO COc1c(Br)cccc1C[NH2+][C@@H](C)c1cccc(-n2cccn2)c1 ZINC000187274978 823035361 /nfs/dbraw/zinc/03/53/61/823035361.db2.gz PVBBQSVGOYHGBV-AWEZNQCLSA-N 1 0 386.293 4.494 20 0 GIADRO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000458387606 823035428 /nfs/dbraw/zinc/03/54/28/823035428.db2.gz XPMODGFGXALSEL-ARHMPVJQSA-N 1 0 379.548 4.012 20 0 GIADRO Cc1nc(-c2cccc(NC(=O)N[C@@H](C)[C@@H](c3ccccc3C)[NH+](C)C)c2)no1 ZINC000570422515 823035722 /nfs/dbraw/zinc/03/57/22/823035722.db2.gz WRBMLOPOUXZXDC-YWZLYKJASA-N 1 0 393.491 4.166 20 0 GIADRO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](Cc3ccc(C)cc3)C2)c(OC)c1 ZINC000570421800 823035774 /nfs/dbraw/zinc/03/57/74/823035774.db2.gz IIYJDLZDGJVIER-QUCCMNQESA-N 1 0 396.531 4.294 20 0 GIADRO CN(CCc1cccs1)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000175770044 823036146 /nfs/dbraw/zinc/03/61/46/823036146.db2.gz RYIFJDPRUZDFBQ-UHFFFAOYSA-N 1 0 389.590 4.046 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@@H]2C[C@H]2c2ccccc2F)CC1 ZINC000458409990 823037626 /nfs/dbraw/zinc/03/76/26/823037626.db2.gz MUTIBLHYGQWBMP-XUEUYAKLSA-N 1 0 381.495 4.206 20 0 GIADRO C[C@H](O)CC(C)(C)CNC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000175778685 823038156 /nfs/dbraw/zinc/03/81/56/823038156.db2.gz APSWZMOSXKWAAG-SFHVURJKSA-N 1 0 389.584 4.047 20 0 GIADRO CCC[NH+]1CCC(NC(=O)c2sc3ccccc3c2Br)CC1 ZINC000570437994 823038367 /nfs/dbraw/zinc/03/83/67/823038367.db2.gz LAUYQWLLHZBHLU-UHFFFAOYSA-N 1 0 381.339 4.268 20 0 GIADRO Cc1csc(Nc2ccc(C(=O)NCCCC[N@H+]3CCC[C@@H](C)C3)cc2)n1 ZINC000570439143 823038681 /nfs/dbraw/zinc/03/86/81/823038681.db2.gz SJBLOHIEQKTKPV-MRXNPFEDSA-N 1 0 386.565 4.437 20 0 GIADRO CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000175782240 823039185 /nfs/dbraw/zinc/03/91/85/823039185.db2.gz YETAXJCNWVIYJZ-MGPUTAFESA-N 1 0 393.959 4.122 20 0 GIADRO C[C@H]([NH2+][C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)C1CCSCC1 ZINC000187299734 823039413 /nfs/dbraw/zinc/03/94/13/823039413.db2.gz MSGKEKHHGGFPBD-FZMZJTMJSA-N 1 0 393.906 4.454 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc2nc(Cl)ccc2c1 ZINC000175785202 823039727 /nfs/dbraw/zinc/03/97/27/823039727.db2.gz ZTTUAAGVOORWQM-SFHVURJKSA-N 1 0 393.918 4.482 20 0 GIADRO CSc1ccc([C@@H](C[NH2+]CC2(O)CCC2)N2CCc3sccc3C2)cc1 ZINC000570447728 823039993 /nfs/dbraw/zinc/03/99/93/823039993.db2.gz MOFRLHTVRMVHNT-LJQANCHMSA-N 1 0 388.602 4.074 20 0 GIADRO Cc1ccc2c([nH+]cc(C(=O)[O-])c2N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c1C ZINC000570455280 823040206 /nfs/dbraw/zinc/04/02/06/823040206.db2.gz YFAZMPFZHTVHGT-INIZCTEOSA-N 1 0 395.528 4.495 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCC[C@@]3(CCSC3)C2)[C@@H]1c1cccs1 ZINC000458443061 823040983 /nfs/dbraw/zinc/04/09/83/823040983.db2.gz WTGREBMEJJFEOJ-YVWKXTFCSA-N 1 0 393.622 4.060 20 0 GIADRO COc1ccc([C@@H](CCO)[NH2+][C@H](C)c2cc(Br)cc(C)c2O)cc1 ZINC000187310514 823041165 /nfs/dbraw/zinc/04/11/65/823041165.db2.gz OPBPIOHAWLZHOG-FZKQIMNGSA-N 1 0 394.309 4.246 20 0 GIADRO CCc1ncsc1NC(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000570468739 823041941 /nfs/dbraw/zinc/04/19/41/823041941.db2.gz ZNZNGRNBDVLITM-MLGOLLRUSA-N 1 0 396.919 4.313 20 0 GIADRO O=C(NCCCCC[NH+]1CCCCC1)N1CC(c2cccc(C(F)(F)F)c2)C1 ZINC000458450271 823042029 /nfs/dbraw/zinc/04/20/29/823042029.db2.gz ZIBBHNUXKLOPCM-UHFFFAOYSA-N 1 0 397.485 4.470 20 0 GIADRO Cc1cnc([C@H](NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)C2CC2)s1 ZINC000458452072 823042328 /nfs/dbraw/zinc/04/23/28/823042328.db2.gz HJWDUJJPUZLQGQ-OXJNMPFZSA-N 1 0 398.576 4.066 20 0 GIADRO COc1cc2c(cc1OC)C[N@H+](CCCC(=O)Nc1c(C)cccc1C)CC2 ZINC000175797847 823042943 /nfs/dbraw/zinc/04/29/43/823042943.db2.gz QAEWWFHCPHXXJD-UHFFFAOYSA-N 1 0 382.504 4.098 20 0 GIADRO O=C(Nc1nc(CC(F)(F)F)cs1)[C@@H]1CCCCN1Cc1ccccc1 ZINC000570478730 823043417 /nfs/dbraw/zinc/04/34/17/823043417.db2.gz PJZHPUOUFVBZGZ-HNNXBMFYSA-N 1 0 383.439 4.241 20 0 GIADRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C1(c2ccccc2)CCOCC1 ZINC000187324044 823043691 /nfs/dbraw/zinc/04/36/91/823043691.db2.gz JEWYINHSEDVAGQ-QHCPKHFHSA-N 1 0 394.559 4.008 20 0 GIADRO c1coc(-c2noc(C[N@H+](Cc3ccc4c(c3)OCO4)C3CCCCC3)n2)c1 ZINC000060562367 823542611 /nfs/dbraw/zinc/54/26/11/823542611.db2.gz JWLVMXDCDRTXFW-UHFFFAOYSA-N 1 0 381.432 4.393 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@H]1Cc1ccccc1OC)c1ccco1 ZINC000060563830 823542644 /nfs/dbraw/zinc/54/26/44/823542644.db2.gz PDLJOECGXYPSDW-VQTJNVASSA-N 1 0 399.535 4.088 20 0 GIADRO Cn1cccc1[C@H]1CCCN1C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000060566762 823542939 /nfs/dbraw/zinc/54/29/39/823542939.db2.gz BZZVEJPTWMJOPO-HSZRJFAPSA-N 1 0 394.563 4.448 20 0 GIADRO COc1ccc2c(c1)CCN2C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000060566811 823543122 /nfs/dbraw/zinc/54/31/22/823543122.db2.gz XRJDVYCXNVYBMX-UHFFFAOYSA-N 1 0 393.531 4.344 20 0 GIADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)/C=C/c2ccccc2OC(F)(F)F)C1 ZINC000060567207 823543187 /nfs/dbraw/zinc/54/31/87/823543187.db2.gz XGPFGGYANRUTJZ-SIFUEBAJSA-N 1 0 384.442 4.227 20 0 GIADRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C ZINC000123830363 823543748 /nfs/dbraw/zinc/54/37/48/823543748.db2.gz UVXIJEHRIXJFDL-INIZCTEOSA-N 1 0 385.556 4.130 20 0 GIADRO CC[C@@H](C)Sc1ccc(NC(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)c(C)c1 ZINC000190159102 823544324 /nfs/dbraw/zinc/54/43/24/823544324.db2.gz IFPPIFSDANATKS-DLBZAZTESA-N 1 0 393.597 4.195 20 0 GIADRO O=C(CCCc1nc2ccccc2s1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000060579695 823544424 /nfs/dbraw/zinc/54/44/24/823544424.db2.gz LZJGKOYFPUWEQU-UHFFFAOYSA-N 1 0 385.577 4.344 20 0 GIADRO CC[C@@H]1C[C@@H](C(=O)N(CCC[NH+]2CCCC2)c2ccc(Cl)cc2)CCO1 ZINC000411099531 823545800 /nfs/dbraw/zinc/54/58/00/823545800.db2.gz GWDYZJRATZQORL-FXAWDEMLSA-N 1 0 378.944 4.364 20 0 GIADRO O=C(CC1CCC(=O)CC1)N(CCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000411100422 823546047 /nfs/dbraw/zinc/54/60/47/823546047.db2.gz IVNQKQCWHMRKAA-UHFFFAOYSA-N 1 0 376.928 4.308 20 0 GIADRO Clc1ccc(C2(C[NH2+]C3CCN(Cc4ccccn4)CC3)CCOCC2)cc1 ZINC000177917649 823545986 /nfs/dbraw/zinc/54/59/86/823545986.db2.gz ABAAZXSIIREZMH-UHFFFAOYSA-N 1 0 399.966 4.037 20 0 GIADRO Cc1cc(=O)[nH]c([C@@H](C)[N@@H+]2CCC[C@H](c3nc4ccccc4n3C(C)C)C2)n1 ZINC000177922488 823546758 /nfs/dbraw/zinc/54/67/58/823546758.db2.gz ZPIADMBJJRRRSU-SJORKVTESA-N 1 0 379.508 4.362 20 0 GIADRO CCOc1ccccc1NC(=O)CC[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000177924861 823546958 /nfs/dbraw/zinc/54/69/58/823546958.db2.gz AHHFQECOBLYFGD-UHFFFAOYSA-N 1 0 396.531 4.138 20 0 GIADRO O=C(c1ccc(N2CCC2)nc1)N(CCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000411105682 823547304 /nfs/dbraw/zinc/54/73/04/823547304.db2.gz XZROMKQLQHUHSC-UHFFFAOYSA-N 1 0 398.938 4.078 20 0 GIADRO C[C@@H](COc1cccc(F)c1)NC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000060609113 823547594 /nfs/dbraw/zinc/54/75/94/823547594.db2.gz TYHNCFXECCLMPJ-SFHVURJKSA-N 1 0 399.510 4.078 20 0 GIADRO CC(C)COc1ccccc1CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000060610054 823547656 /nfs/dbraw/zinc/54/76/56/823547656.db2.gz VZEAJWPWJBTFGL-UHFFFAOYSA-N 1 0 395.547 4.317 20 0 GIADRO O[C@H](C[C@@H]1CCCCC[N@@H+]1Cc1ccc(-n2ccnc2)nc1)c1ccccc1 ZINC000123879244 823548713 /nfs/dbraw/zinc/54/87/13/823548713.db2.gz FGXGEFCLZKQFFJ-FCHUYYIVSA-N 1 0 376.504 4.136 20 0 GIADRO O[C@@H](C[C@@H]1CCCCC[N@@H+]1Cc1ccc(-n2ccnc2)nc1)c1ccccc1 ZINC000123879436 823548838 /nfs/dbraw/zinc/54/88/38/823548838.db2.gz FGXGEFCLZKQFFJ-VXKWHMMOSA-N 1 0 376.504 4.136 20 0 GIADRO CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000190200202 823550137 /nfs/dbraw/zinc/55/01/37/823550137.db2.gz MTIHCFYEEKOONH-IBGZPJMESA-N 1 0 380.536 4.327 20 0 GIADRO Cn1nc(-c2ccccc2)c(C[NH2+]CCc2nc3cc(F)ccc3n2C)c1Cl ZINC000123903234 823550308 /nfs/dbraw/zinc/55/03/08/823550308.db2.gz PVNHZGDFRNXECU-UHFFFAOYSA-N 1 0 397.885 4.099 20 0 GIADRO COc1ccc(C[NH2+][C@@H]2CCCOc3cc(Br)ccc32)cc1OC ZINC000123911497 823551019 /nfs/dbraw/zinc/55/10/19/823551019.db2.gz AFVMFGTVPYOVII-MRXNPFEDSA-N 1 0 392.293 4.470 20 0 GIADRO Cc1cc(C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)ccc1NC(=O)CC(C)C ZINC000460962878 823551574 /nfs/dbraw/zinc/55/15/74/823551574.db2.gz XAUXTBOGASHYAI-SCTDSRPQSA-N 1 0 387.568 4.076 20 0 GIADRO C[C@@H](NC(=O)c1cc(C(F)(F)F)ccc1Br)C(C)(C)C[NH+](C)C ZINC000123921863 823551876 /nfs/dbraw/zinc/55/18/76/823551876.db2.gz NYVAMERGQBJSSX-SNVBAGLBSA-N 1 0 395.263 4.174 20 0 GIADRO Cc1cc(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)ccc1NC(=O)CC(C)C ZINC000460967177 823552415 /nfs/dbraw/zinc/55/24/15/823552415.db2.gz CKOULDMIEOTSOD-KRWDZBQOSA-N 1 0 387.568 4.220 20 0 GIADRO CCCCn1ncc(C(=O)Nc2ccc(OCC[NH+]3CCCC3)c(C)c2)c1C ZINC000123929881 823552661 /nfs/dbraw/zinc/55/26/61/823552661.db2.gz KSWUZPUVPWVXTB-UHFFFAOYSA-N 1 0 384.524 4.027 20 0 GIADRO CC(C)CC(=O)Nc1ccc(C(=O)N2CC[NH+](CCC(C)(C)C)CC2)cc1F ZINC000460981988 823555372 /nfs/dbraw/zinc/55/53/72/823555372.db2.gz IISRZNWXBCWJOY-UHFFFAOYSA-N 1 0 391.531 4.004 20 0 GIADRO O=c1[nH]c(CN2CCC[N@H+](CC3CCCCC3)CC2)nc2ccc(Cl)cc12 ZINC000411187796 823555513 /nfs/dbraw/zinc/55/55/13/823555513.db2.gz QPIAYSXVMCNOHU-UHFFFAOYSA-N 1 0 388.943 4.077 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)[C@@H](C)c1cccc(F)c1)[NH+]1CCCCC1 ZINC000460983737 823555805 /nfs/dbraw/zinc/55/58/05/823555805.db2.gz LFWIAWJXYDFJRV-UWJYYQICSA-N 1 0 384.495 4.281 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@H]1C[C@]1(F)c1ccccc1 ZINC000411201754 823556834 /nfs/dbraw/zinc/55/68/34/823556834.db2.gz SMPRDOGJJHRIBJ-IRLDBZIGSA-N 1 0 386.898 4.306 20 0 GIADRO C[N@H+](CCC(=O)N[C@@H](c1cccs1)c1ccccc1)[C@H](CO)c1ccccc1 ZINC000411217603 823557967 /nfs/dbraw/zinc/55/79/67/823557967.db2.gz ANXHFEBRAAOGKR-NFBKMPQASA-N 1 0 394.540 4.009 20 0 GIADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)N[C@H]1CCc2sc(Cl)cc21)c1ccco1 ZINC000461015528 823559225 /nfs/dbraw/zinc/55/92/25/823559225.db2.gz MXKQKLLJTVLCAV-UBHSHLNASA-N 1 0 381.929 4.410 20 0 GIADRO O=C(Nc1ccccc1F)Nc1cccc2c1CC[N@@H+](CCC1(O)CCC1)C2 ZINC000411254629 823560551 /nfs/dbraw/zinc/56/05/51/823560551.db2.gz FVSGSNDODCETSF-UHFFFAOYSA-N 1 0 383.467 4.133 20 0 GIADRO CCOc1ccc(C[NH2+]C[C@H](c2ccc(OC)cc2)N2CCCCC2)cc1OC ZINC000060828319 823560609 /nfs/dbraw/zinc/56/06/09/823560609.db2.gz RLWYKOCBLVYPTN-JOCHJYFZSA-N 1 0 398.547 4.419 20 0 GIADRO O=C(Nc1ccc(F)cc1)Nc1cccc2c1CC[N@@H+](CCC1(O)CCC1)C2 ZINC000411261166 823560882 /nfs/dbraw/zinc/56/08/82/823560882.db2.gz ZQWPGIURRARZBC-UHFFFAOYSA-N 1 0 383.467 4.133 20 0 GIADRO COc1ccc(C[N@H+](C)C[C@@H](O)CO[C@H](C)c2ccc(Cl)cc2)cc1F ZINC000060845467 823561765 /nfs/dbraw/zinc/56/17/65/823561765.db2.gz UNGZKPJRGFAJNO-RDTXWAMCSA-N 1 0 381.875 4.058 20 0 GIADRO CN(Cc1ccc(-c2ncco2)cc1F)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000411296134 823562798 /nfs/dbraw/zinc/56/27/98/823562798.db2.gz KMBXSIVDPNZWQZ-LJQANCHMSA-N 1 0 379.479 4.435 20 0 GIADRO C[C@H]1C[C@H](N(C)Cc2c(Cl)nc(Cl)n2C)CC[N@@H+]1Cc1ccccc1 ZINC000124061994 823564261 /nfs/dbraw/zinc/56/42/61/823564261.db2.gz BPLDFSBGJYBOOR-GOEBONIOSA-N 1 0 381.351 4.212 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[NH2+]C1(c2ccccc2)CCC1 ZINC000411317914 823564314 /nfs/dbraw/zinc/56/43/14/823564314.db2.gz AIUKWURUSFPOOC-UHFFFAOYSA-N 1 0 388.515 4.487 20 0 GIADRO COc1cc(C[NH2+]C[C@](C)(O)c2ccsc2)ccc1OCc1ccccc1 ZINC000124083786 823566137 /nfs/dbraw/zinc/56/61/37/823566137.db2.gz SRNYVCYBHRTARG-QFIPXVFZSA-N 1 0 383.513 4.333 20 0 GIADRO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C[NH2+][C@@H](C(N)=O)C(C)(C)C ZINC000411363107 823566456 /nfs/dbraw/zinc/56/64/56/823566456.db2.gz CQZVLRKSMBEHFH-AWEZNQCLSA-N 1 0 385.455 4.127 20 0 GIADRO CC(C)[N@H+](CCC(=O)N[C@H](c1cccs1)c1ccccc1)C1CCOCC1 ZINC000411379131 823567691 /nfs/dbraw/zinc/56/76/91/823567691.db2.gz BFSLHTZUQAVQPR-QFIPXVFZSA-N 1 0 386.561 4.233 20 0 GIADRO CC[NH+](CC)Cc1ccc(NCc2ccc(OCc3noc(C)n3)cc2)cc1 ZINC000190381934 823568085 /nfs/dbraw/zinc/56/80/85/823568085.db2.gz MSIONSLRDXXMFF-UHFFFAOYSA-N 1 0 380.492 4.411 20 0 GIADRO COC(=O)[C@H](C)[C@@H]([NH2+]CCc1nc(-c2ccc(Cl)cc2)no1)c1ccccc1 ZINC000411387114 823568535 /nfs/dbraw/zinc/56/85/35/823568535.db2.gz IXHWMVLUESUJJV-AUUYWEPGSA-N 1 0 399.878 4.073 20 0 GIADRO Cc1ccc(Br)cc1C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000461064339 823568628 /nfs/dbraw/zinc/56/86/28/823568628.db2.gz RRRFFSDYYPWGES-SJORKVTESA-N 1 0 393.369 4.484 20 0 GIADRO O[C@H](C[NH2+]Cc1ccccc1C(F)(F)F)c1ccc(OC(F)(F)F)cc1 ZINC000060953048 823568958 /nfs/dbraw/zinc/56/89/58/823568958.db2.gz SIBDCTGAPNYSIK-OAHLLOKOSA-N 1 0 379.300 4.427 20 0 GIADRO COc1ccc(C(=O)Nc2cccc(C[NH2+]C[C@](C)(O)c3ccsc3)c2)cc1 ZINC000124116850 823568962 /nfs/dbraw/zinc/56/89/62/823568962.db2.gz YYESWTILLACSMV-QFIPXVFZSA-N 1 0 396.512 4.006 20 0 GIADRO Cc1ccccc1-c1csc(NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)n1 ZINC000411391166 823569135 /nfs/dbraw/zinc/56/91/35/823569135.db2.gz QUIQNVWYUYQFNC-INIZCTEOSA-N 1 0 387.574 4.275 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)N[C@H]1CCSc2ccc(Cl)cc21)c1ccccc1 ZINC000060954970 823569113 /nfs/dbraw/zinc/56/91/13/823569113.db2.gz IIUFOMQRPGESHG-ZWKOTPCHSA-N 1 0 389.952 4.479 20 0 GIADRO Cc1ccc(COc2ccc(C[NH2+][C@@H]3CCN(CC(F)(F)F)C3)cc2)cc1 ZINC000060953364 823569144 /nfs/dbraw/zinc/56/91/44/823569144.db2.gz BGMOALMKEJIKSJ-LJQANCHMSA-N 1 0 378.438 4.300 20 0 GIADRO COc1cccc(CNC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)c1 ZINC000060955574 823569330 /nfs/dbraw/zinc/56/93/30/823569330.db2.gz CGERIWXOWLKYFQ-GOSISDBHSA-N 1 0 381.520 4.069 20 0 GIADRO COc1cc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)ccc1OC(C)C ZINC000124122394 823569413 /nfs/dbraw/zinc/56/94/13/823569413.db2.gz ZPYDIFREMQYOQA-LJQANCHMSA-N 1 0 398.551 4.180 20 0 GIADRO CCOc1ccccc1NC(=O)[C@H]([NH2+]C[C@@](C)(OC)C1CC1)c1ccccc1 ZINC000461072858 823570337 /nfs/dbraw/zinc/57/03/37/823570337.db2.gz FMACUPCMGNYBRM-FYYLOGMGSA-N 1 0 382.504 4.170 20 0 GIADRO COc1cc(C[N@H+](CCC(=O)Nc2ccc(Cl)cc2F)C2CC2)ccc1O ZINC000411405900 823570859 /nfs/dbraw/zinc/57/08/59/823570859.db2.gz DUIHEQZSZAQEHC-UHFFFAOYSA-N 1 0 392.858 4.187 20 0 GIADRO CSc1ccccc1NC(=O)CC[N@H+](Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000411412104 823571509 /nfs/dbraw/zinc/57/15/09/823571509.db2.gz ZJSSLSXIVOVZQR-FQEVSTJZSA-N 1 0 384.545 4.010 20 0 GIADRO COC(=O)c1ccc(C[NH2+][C@H](C)c2ccc(Br)cc2OC)cc1 ZINC000190425726 823571980 /nfs/dbraw/zinc/57/19/80/823571980.db2.gz MHNGEZCJFAVJPC-GFCCVEGCSA-N 1 0 378.266 4.095 20 0 GIADRO COCCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1 ZINC000061002878 823572130 /nfs/dbraw/zinc/57/21/30/823572130.db2.gz PDOCTPXDWQATIC-UHFFFAOYSA-N 1 0 379.504 4.453 20 0 GIADRO O=C(CC[N@H+](Cc1cccnc1)C1CC1)N[C@H](c1cccs1)c1ccccc1 ZINC000411421966 823572371 /nfs/dbraw/zinc/57/23/71/823572371.db2.gz SAHPOKNVJWULCH-QHCPKHFHSA-N 1 0 391.540 4.403 20 0 GIADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(NC(=O)CC(C)(C)C)ccc1Cl ZINC000461081114 823572454 /nfs/dbraw/zinc/57/24/54/823572454.db2.gz FSAOCKMFHYUNDO-INIZCTEOSA-N 1 0 393.959 4.319 20 0 GIADRO CC[C@H](c1ccncc1)[N@H+](C)CCC(=O)Nc1ccc(Br)cc1F ZINC000411423128 823572590 /nfs/dbraw/zinc/57/25/90/823572590.db2.gz JMGXLVTUIOTYKQ-QGZVFWFLSA-N 1 0 394.288 4.395 20 0 GIADRO Cc1nn(Cc2ccccc2Cl)c(Cl)c1CNCC(C)(C)C[NH+](C)C ZINC000061012143 823572726 /nfs/dbraw/zinc/57/27/26/823572726.db2.gz ZREXTADKUYBCHR-UHFFFAOYSA-N 1 0 383.367 4.224 20 0 GIADRO OCC[C@@H]([NH2+][C@H]1CCCc2nc(-c3ccc(F)cc3)sc21)C1CCOCC1 ZINC000461084870 823573436 /nfs/dbraw/zinc/57/34/36/823573436.db2.gz JLRWGJNMHQNDDS-MSOLQXFVSA-N 1 0 390.524 4.094 20 0 GIADRO O=C([C@@H]1CC12CC[NH+](Cc1ccc(-c3ncco3)cc1F)CC2)N1CCCCC1 ZINC000411431308 823573603 /nfs/dbraw/zinc/57/36/03/823573603.db2.gz PSEYIUADVBCVRF-IBGZPJMESA-N 1 0 397.494 4.095 20 0 GIADRO O=C(NCc1ccc(Cl)s1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000061021831 823573708 /nfs/dbraw/zinc/57/37/08/823573708.db2.gz CCJMBIQWOVVPTE-UHFFFAOYSA-N 1 0 383.970 4.174 20 0 GIADRO COc1cc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)ccc1OCc1ccncc1 ZINC000061024874 823573824 /nfs/dbraw/zinc/57/38/24/823573824.db2.gz RSZQPKMKZVXDID-UHFFFAOYSA-N 1 0 393.443 4.176 20 0 GIADRO COc1cc(Br)ccc1[C@@H](C)[NH2+]C[C@H](O)c1ccc(F)c(F)c1 ZINC000190439688 823574119 /nfs/dbraw/zinc/57/41/19/823574119.db2.gz WTRPYGFFVZXQKS-HWPZZCPQSA-N 1 0 386.236 4.120 20 0 GIADRO CC[C@H](Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1)c1cccc(Cl)c1F ZINC000461087685 823574207 /nfs/dbraw/zinc/57/42/07/823574207.db2.gz LKQHLQVJEWDGOU-RBUKOAKNSA-N 1 0 389.902 4.492 20 0 GIADRO CCCOc1ccc([C@@H](C)[NH2+]Cc2ccc(Br)cn2)cc1OC ZINC000411442757 823574606 /nfs/dbraw/zinc/57/46/06/823574606.db2.gz AUCCPXGCNTZJAN-CYBMUJFWSA-N 1 0 379.298 4.492 20 0 GIADRO Cc1cccc(COc2ccc([C@H](C)[NH2+][C@@H](CCO)C3CCOCC3)cc2)c1 ZINC000461090532 823574924 /nfs/dbraw/zinc/57/49/24/823574924.db2.gz AKHAMMNPPQNIHI-CYFREDJKSA-N 1 0 383.532 4.402 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+][C@H](CCO)C1CCOCC1 ZINC000461091382 823574957 /nfs/dbraw/zinc/57/49/57/823574957.db2.gz OBCDBRQFQGFFBS-SCLBCKFNSA-N 1 0 378.513 4.086 20 0 GIADRO COc1cc(Br)ccc1[C@@H](C)[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000190447692 823575602 /nfs/dbraw/zinc/57/56/02/823575602.db2.gz PQSCMNGZEYUGEE-GFCCVEGCSA-N 1 0 387.277 4.150 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCc2ccccc2NC1=O)c1ccc(OCC(F)(F)F)cc1 ZINC000411451555 823576047 /nfs/dbraw/zinc/57/60/47/823576047.db2.gz HWOISKQWLMSBSF-FZKQIMNGSA-N 1 0 378.394 4.232 20 0 GIADRO COc1cc([C@H](C)[NH2+]CC(=O)N(C)Cc2cccs2)ccc1OCC(C)C ZINC000411452119 823576185 /nfs/dbraw/zinc/57/61/85/823576185.db2.gz OUYAUBYHDSUBFK-INIZCTEOSA-N 1 0 390.549 4.101 20 0 GIADRO O=C(CC[N@H+](Cc1ccccn1)C1CC1)N[C@H](c1cccs1)c1ccccc1 ZINC000411452859 823576282 /nfs/dbraw/zinc/57/62/82/823576282.db2.gz WIIJVYSPWQAPJK-QHCPKHFHSA-N 1 0 391.540 4.403 20 0 GIADRO Cc1ccc(-c2ncc(C[N@@H+]3CCC[C@@H](c4nnc5n4CCCCC5)C3)s2)o1 ZINC000124198686 823576738 /nfs/dbraw/zinc/57/67/38/823576738.db2.gz DCCWBBDZGLGIME-MRXNPFEDSA-N 1 0 397.548 4.409 20 0 GIADRO COCCOc1ccc([C@H](C)[NH2+]Cc2cnc3ccc(C)cc3c2)cc1OC ZINC000411459265 823577228 /nfs/dbraw/zinc/57/72/28/823577228.db2.gz YSFZXLLELROCHS-KRWDZBQOSA-N 1 0 380.488 4.428 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N(C)Cc1ccco1)c1ccccc1OCc1ccccc1 ZINC000411460605 823577300 /nfs/dbraw/zinc/57/73/00/823577300.db2.gz RYJOZLIREPEDKB-GOSISDBHSA-N 1 0 378.472 4.168 20 0 GIADRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1F)c1ccc(OCC(F)(F)F)cc1 ZINC000411460094 823577317 /nfs/dbraw/zinc/57/73/17/823577317.db2.gz QTGPMROTSWMPGC-ZDUSSCGKSA-N 1 0 384.373 4.446 20 0 GIADRO CCCNC(=O)c1cccc(C[NH2+]Cc2ccccc2OCc2ccncc2)c1 ZINC000061077582 823577511 /nfs/dbraw/zinc/57/75/11/823577511.db2.gz NDGQWQMRADHAPM-UHFFFAOYSA-N 1 0 389.499 4.090 20 0 GIADRO COCCSc1ccc([C@H](C)[NH2+]CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)cc1 ZINC000411464001 823577787 /nfs/dbraw/zinc/57/77/87/823577787.db2.gz MGBQLEUAIWEFFC-CUWPLCDZSA-N 1 0 390.593 4.257 20 0 GIADRO COc1cccc([C@@H](C)[NH2+]CC(=O)N(Cc2ccco2)Cc2ccccc2)c1 ZINC000411466362 823578089 /nfs/dbraw/zinc/57/80/89/823578089.db2.gz YZHDVEXZHCQEOS-GOSISDBHSA-N 1 0 378.472 4.168 20 0 GIADRO CC[C@]1(C)Oc2ccc(NC(=O)N(CC[NH+](C)C)Cc3cccs3)cc2O1 ZINC000190466694 823578268 /nfs/dbraw/zinc/57/82/68/823578268.db2.gz OEEIYUIOAJFBCK-HXUWFJFHSA-N 1 0 389.521 4.241 20 0 GIADRO C[S@@](=O)C[C@@H]([NH2+]CCC(=O)Nc1c(Cl)cccc1Cl)c1ccccc1 ZINC000411469168 823578571 /nfs/dbraw/zinc/57/85/71/823578571.db2.gz FXASQDCMSVRHBV-PUAOIOHZSA-N 1 0 399.343 4.031 20 0 GIADRO C[S@](=O)C[C@H]([NH2+]Cc1cc(Cl)cc(Br)c1)c1ccccc1 ZINC000411475061 823579120 /nfs/dbraw/zinc/57/91/20/823579120.db2.gz RWHRVFVFDLZNDD-KKSFZXQISA-N 1 0 386.742 4.312 20 0 GIADRO Cn1cc([C@@H]([NH2+]CCC(=O)Nc2ccccc2C(F)(F)F)C(C)(C)C)cn1 ZINC000411475152 823579222 /nfs/dbraw/zinc/57/92/22/823579222.db2.gz NBPLWSDJYFSEPL-QGZVFWFLSA-N 1 0 382.430 4.145 20 0 GIADRO Cn1cc([C@H]([NH2+]CCC(=O)Nc2cc(Cl)ccc2Cl)C(C)(C)C)cn1 ZINC000411479313 823579613 /nfs/dbraw/zinc/57/96/13/823579613.db2.gz VSUBWCZEJYTLON-KRWDZBQOSA-N 1 0 383.323 4.433 20 0 GIADRO CC[C@@H]([NH2+][C@H]1CCCN(Cc2ccccn2)C1=O)c1cccc(Cl)c1F ZINC000461111923 823579683 /nfs/dbraw/zinc/57/96/83/823579683.db2.gz UVUXBDDZRQAPMQ-MSOLQXFVSA-N 1 0 375.875 4.106 20 0 GIADRO CSc1ccccc1NC(=O)CC[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000411480937 823579830 /nfs/dbraw/zinc/57/98/30/823579830.db2.gz WVIOAHHVXNYIBK-FXAWDEMLSA-N 1 0 384.545 4.495 20 0 GIADRO COc1cc(NC(=O)CC[NH2+][C@@H](C)c2cccc(F)c2F)c(OC)cc1Cl ZINC000411482368 823580104 /nfs/dbraw/zinc/58/01/04/823580104.db2.gz KRDAYKXXHPREFO-NSHDSACASA-N 1 0 398.837 4.315 20 0 GIADRO Cc1cccc(C)c1NCC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000461115056 823580175 /nfs/dbraw/zinc/58/01/75/823580175.db2.gz DMVGYLLYTQDLET-UHFFFAOYSA-N 1 0 399.966 4.397 20 0 GIADRO COc1cc(NC(=O)CC[NH2+][C@@H](C)[C@@H](C)c2ccccc2)c(OC)cc1Cl ZINC000411493818 823581198 /nfs/dbraw/zinc/58/11/98/823581198.db2.gz SRTPHPCPTYCQPM-CABCVRRESA-N 1 0 390.911 4.468 20 0 GIADRO CC(C)[C@H](NCc1cccc(C[NH+]2CCCCC2)c1)c1nnc2ccccn21 ZINC000411497365 823581517 /nfs/dbraw/zinc/58/15/17/823581517.db2.gz ZBGHVBJXNYAIQQ-QFIPXVFZSA-N 1 0 377.536 4.202 20 0 GIADRO COc1ccc(OC)c([C@H]2CCCN2C(=O)C[N@H+](C2CC2)C2CCCCC2)c1 ZINC000061163153 823581653 /nfs/dbraw/zinc/58/16/53/823581653.db2.gz VIWZEWQFUXRXPO-OAQYLSRUSA-N 1 0 386.536 4.164 20 0 GIADRO C[C@@H](N[C@H](C)c1ccc(OCC[NH+](C)C)cc1)c1noc(-c2ccccc2)n1 ZINC000124259660 823581700 /nfs/dbraw/zinc/58/17/00/823581700.db2.gz KWFQHEAEPGRXGX-IAGOWNOFSA-N 1 0 380.492 4.089 20 0 GIADRO CCc1cnccc1[C@@H](C)[NH2+]CCC(=O)Nc1ccc(Br)cc1F ZINC000411501025 823581901 /nfs/dbraw/zinc/58/19/01/823581901.db2.gz HAYRXZUIPWEYHG-GFCCVEGCSA-N 1 0 394.288 4.225 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)Nc2cccc(OC(F)F)c2)cc1 ZINC000061165884 823581941 /nfs/dbraw/zinc/58/19/41/823581941.db2.gz PFTLGQBITKZFIT-UHFFFAOYSA-N 1 0 377.435 4.452 20 0 GIADRO CC[C@H]([NH2+]CCC(=O)Nc1cc(OC)c(Cl)cc1OC)c1cccs1 ZINC000411510308 823582569 /nfs/dbraw/zinc/58/25/69/823582569.db2.gz GEYKXTGFISNPOS-ZDUSSCGKSA-N 1 0 382.913 4.488 20 0 GIADRO CCc1ccc([C@@H](COC)[NH2+]CCC(=O)Nc2c(Cl)cccc2Cl)o1 ZINC000411509456 823582591 /nfs/dbraw/zinc/58/25/91/823582591.db2.gz CZGPYIAFEHLHIE-OAHLLOKOSA-N 1 0 385.291 4.455 20 0 GIADRO CCc1cnccc1[C@@H](C)[NH2+]CCC(=O)Nc1ccc(Br)cc1 ZINC000411509263 823582642 /nfs/dbraw/zinc/58/26/42/823582642.db2.gz WEBMCBALMDHCRH-CYBMUJFWSA-N 1 0 376.298 4.086 20 0 GIADRO CC[C@@H]([NH2+]CCC(=O)Nc1ccccc1Br)c1nc(C)cs1 ZINC000411516152 823583471 /nfs/dbraw/zinc/58/34/71/823583471.db2.gz XFIHNORXMRCZSQ-CYBMUJFWSA-N 1 0 382.327 4.284 20 0 GIADRO Cc1csc([C@H](C)[NH2+]CCC(=O)N[C@@H](c2cccs2)c2ccccc2)n1 ZINC000411518278 823583623 /nfs/dbraw/zinc/58/36/23/823583623.db2.gz IBBAXTPVKSUKRG-HNAYVOBHSA-N 1 0 385.558 4.460 20 0 GIADRO CC[NH+](CC)CCOc1cc(NC(=O)c2cccc3ncccc32)ccc1OC ZINC000124285903 823583948 /nfs/dbraw/zinc/58/39/48/823583948.db2.gz RLTVKTPTJASIMF-UHFFFAOYSA-N 1 0 393.487 4.216 20 0 GIADRO COC(=O)c1ccc(C[NH2+][C@@H](C)c2sc(-c3ccc(F)cc3)nc2C)nc1 ZINC000411520554 823584166 /nfs/dbraw/zinc/58/41/66/823584166.db2.gz QKXQQCAMEOUHNA-LBPRGKRZSA-N 1 0 385.464 4.290 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]CC(=O)N(C)Cc1ccco1 ZINC000411524470 823584729 /nfs/dbraw/zinc/58/47/29/823584729.db2.gz AWHWUATZDUDISM-OAHLLOKOSA-N 1 0 383.517 4.329 20 0 GIADRO CCCCCCOc1ccc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1OC ZINC000061210218 823584804 /nfs/dbraw/zinc/58/48/04/823584804.db2.gz LANWAFUBLCBCFE-UHFFFAOYSA-N 1 0 397.519 4.012 20 0 GIADRO COc1ccc2ccccc2c1CNC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000061220819 823585175 /nfs/dbraw/zinc/58/51/75/823585175.db2.gz DKYXLOXBFOKTPU-NRFANRHFSA-N 1 0 395.478 4.090 20 0 GIADRO CCOc1ccc(NC(=O)CC[NH2+][C@H](C)c2cnn(Cc3ccccc3)c2)cc1 ZINC000411534040 823585535 /nfs/dbraw/zinc/58/55/35/823585535.db2.gz COCDLKKZGJTGCK-GOSISDBHSA-N 1 0 392.503 4.010 20 0 GIADRO COc1ccc2c(c1)CCC[C@@H]2C[NH2+][C@@H](C)CCCOc1ccccc1C(N)=O ZINC000124302614 823585499 /nfs/dbraw/zinc/58/54/99/823585499.db2.gz XDOGJROOGLSMSA-PKOBYXMFSA-N 1 0 396.531 4.051 20 0 GIADRO CCCNC(=O)CCC[NH2+][C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000411533831 823585563 /nfs/dbraw/zinc/58/55/63/823585563.db2.gz ODVHFDASAPCTMZ-AWEZNQCLSA-N 1 0 375.538 4.084 20 0 GIADRO CC[C@@H](NC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccccc1OC ZINC000061230093 823585678 /nfs/dbraw/zinc/58/56/78/823585678.db2.gz IASNLAXQIIZPHP-NHCUHLMSSA-N 1 0 381.520 4.283 20 0 GIADRO C[C@@H](OCCCNC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccccc1 ZINC000061229975 823585700 /nfs/dbraw/zinc/58/57/00/823585700.db2.gz GXFRGJFYHBTPEL-NFBKMPQASA-N 1 0 395.547 4.291 20 0 GIADRO CSc1ccc(OC[C@H](O)C[NH2+][C@H](C)c2nc(C(C)(C)C)cs2)cc1 ZINC000411539492 823586531 /nfs/dbraw/zinc/58/65/31/823586531.db2.gz XWYMKSRGUNLQHL-ZIAGYGMSSA-N 1 0 380.579 4.253 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(-c2ncco2)cc1F ZINC000411552178 823587527 /nfs/dbraw/zinc/58/75/27/823587527.db2.gz OMMRLSAAAWOUKM-JTSKRJEESA-N 1 0 379.479 4.481 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)c2cccc(NC(=O)[C@H]3C[C@@H]3C)c2)cc1 ZINC000190578219 823587847 /nfs/dbraw/zinc/58/78/47/823587847.db2.gz RQXWTSVDTZBDJG-KKSFZXQISA-N 1 0 379.504 4.375 20 0 GIADRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000411561694 823588228 /nfs/dbraw/zinc/58/82/28/823588228.db2.gz RAOAATVRTGIVLF-ZBFHGGJFSA-N 1 0 387.505 4.340 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+]CCOc2ccc(Br)cc2)c1 ZINC000124337475 823588294 /nfs/dbraw/zinc/58/82/94/823588294.db2.gz PIVHWZQIXJYZFG-ZDUSSCGKSA-N 1 0 377.282 4.137 20 0 GIADRO Cc1cc(C(=O)N2CCC(CC[NH+](C)C)CC2)cc(C)c1OCc1cccnc1 ZINC000124346026 823588907 /nfs/dbraw/zinc/58/89/07/823588907.db2.gz FRGWFNBXFGZFNU-UHFFFAOYSA-N 1 0 395.547 4.081 20 0 GIADRO C[C@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)c1ccccc1C(F)(F)F ZINC000411593198 823589551 /nfs/dbraw/zinc/58/95/51/823589551.db2.gz FDGKESPCDRWSBA-ZFWWWQNUSA-N 1 0 386.483 4.100 20 0 GIADRO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000411592474 823589620 /nfs/dbraw/zinc/58/96/20/823589620.db2.gz XSAIHZXZZSGWFK-INIZCTEOSA-N 1 0 398.469 4.241 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCSCC2)c1)c1cc(F)c(F)cc1Cl ZINC000061286708 823589788 /nfs/dbraw/zinc/58/97/88/823589788.db2.gz RZQMMRNUQZYFPT-UHFFFAOYSA-N 1 0 382.863 4.419 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)c1cccc2cccnc21 ZINC000061288882 823589994 /nfs/dbraw/zinc/58/99/94/823589994.db2.gz GETCRJWRJVARGP-UHFFFAOYSA-N 1 0 377.513 4.078 20 0 GIADRO CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H]2c2ccccc2C(F)(F)F)o1 ZINC000411608796 823590493 /nfs/dbraw/zinc/59/04/93/823590493.db2.gz LKRFXBNEKDXSHV-GOEBONIOSA-N 1 0 387.423 4.128 20 0 GIADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(NC(=O)c3cccs3)cc2)C1 ZINC000124367112 823590582 /nfs/dbraw/zinc/59/05/82/823590582.db2.gz CTVKPLQDQROTMG-KRWDZBQOSA-N 1 0 399.560 4.098 20 0 GIADRO 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 ZINC000124371446 823590976 /nfs/dbraw/zinc/59/09/76/823590976.db2.gz WIIGRWLUNHOMJP-NVXWUHKLSA-N 1 0 399.583 4.173 20 0 GIADRO C[C@H]([NH2+]CCC(=O)N1CCc2sccc2C1)c1ccc(OC(F)(F)F)cc1 ZINC000411621999 823591630 /nfs/dbraw/zinc/59/16/30/823591630.db2.gz FXSRLTQUONGMLK-ZDUSSCGKSA-N 1 0 398.450 4.272 20 0 GIADRO CSc1ccc(OC[C@H](O)C[NH+]2CCC(c3ncccc3Cl)CC2)cc1 ZINC000411629492 823592420 /nfs/dbraw/zinc/59/24/20/823592420.db2.gz CRXOPWZVTPFREY-MRXNPFEDSA-N 1 0 392.952 4.076 20 0 GIADRO COc1cc(C[N@@H+]2CCC[C@H]2C)ccc1OCC(=O)Nc1ccccc1Cl ZINC000124396578 823593134 /nfs/dbraw/zinc/59/31/34/823593134.db2.gz UKRWPHOWYIEUJD-OAHLLOKOSA-N 1 0 388.895 4.350 20 0 GIADRO CCOc1ccc(NC(=O)CC[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000411651882 823594438 /nfs/dbraw/zinc/59/44/38/823594438.db2.gz SWZDOQAGLYBYOT-TZIWHRDSSA-N 1 0 388.895 4.187 20 0 GIADRO O=C(CC[N@@H+]1CCC[C@@H]1c1cc[nH]n1)Nc1ccc(OCc2ccccc2)cc1 ZINC000411656865 823595165 /nfs/dbraw/zinc/59/51/65/823595165.db2.gz RXJWIBMMIUKMPZ-JOCHJYFZSA-N 1 0 390.487 4.154 20 0 GIADRO CCOc1ccccc1NC(=O)CC[NH2+][C@@H](c1ccc(C)cc1)c1ccccn1 ZINC000411658674 823595347 /nfs/dbraw/zinc/59/53/47/823595347.db2.gz MPQNHAGHZPLPBL-DEOSSOPVSA-N 1 0 389.499 4.497 20 0 GIADRO COCCCC[C@H]([NH2+]CCC(=O)N1CCc2sccc2C1)c1ccccc1 ZINC000411661681 823595433 /nfs/dbraw/zinc/59/54/33/823595433.db2.gz VSANVCFTKIHVCH-FQEVSTJZSA-N 1 0 386.561 4.171 20 0 GIADRO C[C@@H](CO)[N@@H+](Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1)CC1CCC1 ZINC000411661730 823595527 /nfs/dbraw/zinc/59/55/27/823595527.db2.gz DVSLMHCDHBBJNR-AWEZNQCLSA-N 1 0 383.517 4.047 20 0 GIADRO C[C@@H](CO)[N@@H+](Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)CC1CCC1 ZINC000411666586 823595939 /nfs/dbraw/zinc/59/59/39/823595939.db2.gz MLHPWPBIOIMGHL-AWEZNQCLSA-N 1 0 383.517 4.047 20 0 GIADRO Cc1cccc(CC2(O)CC[NH+](Cc3ccc(-c4ncco4)cc3F)CC2)c1 ZINC000411672101 823596110 /nfs/dbraw/zinc/59/61/10/823596110.db2.gz UMWGQOYYESXJCP-UHFFFAOYSA-N 1 0 380.463 4.359 20 0 GIADRO CCCN(CC[NH+](CC)CC)C(=O)c1cc(C2CC2)nc2c1cnn2C(C)C ZINC000461199223 823597203 /nfs/dbraw/zinc/59/72/03/823597203.db2.gz XGJPOQRTTSVEGO-UHFFFAOYSA-N 1 0 385.556 4.084 20 0 GIADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(Cl)ccc2Br)C1 ZINC000124443018 823597285 /nfs/dbraw/zinc/59/72/85/823597285.db2.gz MATJLPJQGISYFZ-ZDUSSCGKSA-N 1 0 387.749 4.200 20 0 GIADRO CS(=O)(=O)c1ccc(C[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CCC2)o1 ZINC000411701535 823598059 /nfs/dbraw/zinc/59/80/59/823598059.db2.gz PCAWUPYJMZMURT-QGZVFWFLSA-N 1 0 387.423 4.333 20 0 GIADRO CCNC(=O)Nc1cccc(NC(=O)c2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000411705685 823598288 /nfs/dbraw/zinc/59/82/88/823598288.db2.gz WQTCYEOVAHQYDS-UHFFFAOYSA-N 1 0 380.492 4.066 20 0 GIADRO CN(Cc1ccco1)C(=O)C[NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000411722008 823599866 /nfs/dbraw/zinc/59/98/66/823599866.db2.gz UALQKFDUNSNJDO-ROUUACIJSA-N 1 0 380.410 4.183 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCCc2c1cnn2Cc1ccccc1)c1ccc2c(c1)OCO2 ZINC000124476868 823599990 /nfs/dbraw/zinc/59/99/90/823599990.db2.gz OOGNAQDNDCGQHB-UZLBHIALSA-N 1 0 375.472 4.388 20 0 GIADRO Cc1ccnn1-c1ccc(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1 ZINC000061503160 823600227 /nfs/dbraw/zinc/60/02/27/823600227.db2.gz QWIQMCXIUIPOAC-HSZRJFAPSA-N 1 0 388.515 4.056 20 0 GIADRO C[C@@H](NC(=O)N(C)[C@H]1CC[C@@H](C(F)(F)F)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000461217486 823600302 /nfs/dbraw/zinc/60/03/02/823600302.db2.gz KZNQSOJVYBVPKM-NRSFXHEJSA-N 1 0 385.474 4.440 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@@H](c1cccs1)C(C)(C)CO ZINC000411731232 823600808 /nfs/dbraw/zinc/60/08/08/823600808.db2.gz ALWJGDXPVNYPDT-SFHVURJKSA-N 1 0 396.940 4.088 20 0 GIADRO Cc1noc(C)c1C(C)(C)[NH2+]CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000411733356 823601019 /nfs/dbraw/zinc/60/10/19/823601019.db2.gz VTKLBWQYAFOCJJ-NRFANRHFSA-N 1 0 397.544 4.474 20 0 GIADRO Cc1ccc(NC(=O)N2CCc3ccc(Cl)cc3C2)c(OCC[NH+](C)C)c1 ZINC000124511258 823602576 /nfs/dbraw/zinc/60/25/76/823602576.db2.gz FLWCZUXENVGYDB-UHFFFAOYSA-N 1 0 387.911 4.179 20 0 GIADRO CN1CC[C@@H]([NH2+]Cc2ccc(Br)cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000411754529 823602646 /nfs/dbraw/zinc/60/26/46/823602646.db2.gz XWKDXVGDGVTMPM-IAGOWNOFSA-N 1 0 398.707 4.172 20 0 GIADRO COC(=O)c1ccc(C[NH2+][C@H]2c3cc(Br)ccc3CC2(C)C)nc1 ZINC000411755396 823602650 /nfs/dbraw/zinc/60/26/50/823602650.db2.gz IJCYAIRNTNICSR-KRWDZBQOSA-N 1 0 389.293 4.044 20 0 GIADRO CSc1ccccc1NC(=O)CC[NH2+][C@H](C)[C@@H]1OCCc2sccc21 ZINC000411756143 823602757 /nfs/dbraw/zinc/60/27/57/823602757.db2.gz IEHRSPGMUZWKHO-YJYMSZOUSA-N 1 0 376.547 4.091 20 0 GIADRO C[C@@H]([NH2+]CCC(=O)Nc1ccc(Cl)cc1F)[C@@H]1OCCc2sccc21 ZINC000411763563 823603302 /nfs/dbraw/zinc/60/33/02/823603302.db2.gz ZCXWRPKJJZZFFP-ZMZPIMSZSA-N 1 0 382.888 4.161 20 0 GIADRO CC[C@H](Cc1cccc(Br)c1)C(=O)NCCC1CC[NH+](CC)CC1 ZINC000461246255 823603741 /nfs/dbraw/zinc/60/37/41/823603741.db2.gz UYOYQBQTTUAEBM-GOSISDBHSA-N 1 0 395.385 4.256 20 0 GIADRO O=C(CCc1ccc(Cl)s1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000061567630 823604295 /nfs/dbraw/zinc/60/42/95/823604295.db2.gz XZFLJFXVUNBKLK-UHFFFAOYSA-N 1 0 382.982 4.424 20 0 GIADRO Brc1ccc(C[NH2+]Cc2cccc3c2OCO3)cc1Br ZINC000124535068 823604414 /nfs/dbraw/zinc/60/44/14/823604414.db2.gz JNEILQXHKFOMNS-UHFFFAOYSA-N 1 0 399.082 4.230 20 0 GIADRO Cc1nc(-c2c[nH]c(C(=O)Nc3cccc(C[NH+]4CCSCC4)c3)c2)cs1 ZINC000061571788 823604642 /nfs/dbraw/zinc/60/46/42/823604642.db2.gz WQYHYEAVYDGBGX-UHFFFAOYSA-N 1 0 398.557 4.248 20 0 GIADRO Cc1c(NC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)cccc1C(=O)Nc1ccccc1 ZINC000411791999 823605223 /nfs/dbraw/zinc/60/52/23/823605223.db2.gz OAJBQBDJCNSJAI-SOLBZPMBSA-N 1 0 379.504 4.447 20 0 GIADRO COCC[C@@H]([NH2+]CCC(=O)Nc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000411794789 823605409 /nfs/dbraw/zinc/60/54/09/823605409.db2.gz UDEVAVKZZRKISV-GOSISDBHSA-N 1 0 380.410 4.401 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)C1(Cc2ccccc2F)CC1 ZINC000190761136 823605859 /nfs/dbraw/zinc/60/58/59/823605859.db2.gz CKNROSWJBWGFJO-UHFFFAOYSA-N 1 0 384.470 4.068 20 0 GIADRO COc1cccc(Nc2ccccc2C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000461257101 823606256 /nfs/dbraw/zinc/60/62/56/823606256.db2.gz LETXTLXLPJOCPJ-IBGZPJMESA-N 1 0 381.520 4.385 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)NCc1cc2ccccc2o1)c1cccc(OC)c1 ZINC000061608850 823606329 /nfs/dbraw/zinc/60/63/29/823606329.db2.gz INDHJBPWPOGJOD-OAQYLSRUSA-N 1 0 395.503 4.324 20 0 GIADRO FC(F)(F)c1ccc(-c2nc(C[NH2+][C@H]3CCc4n[nH]cc4C3)cs2)cc1 ZINC000124564223 823606859 /nfs/dbraw/zinc/60/68/59/823606859.db2.gz RDHIJZYOBYQHLA-AWEZNQCLSA-N 1 0 378.423 4.199 20 0 GIADRO CCN(CC)c1nc2sc(C(=O)N(C)CC[C@@H]3CCCC[N@@H+]3C)cc2s1 ZINC000461259807 823606886 /nfs/dbraw/zinc/60/68/86/823606886.db2.gz UJLKNOGQVNKWOX-AWEZNQCLSA-N 1 0 394.610 4.150 20 0 GIADRO COc1cc(C[NH2+][C@H]2CCc3n[nH]cc3C2)ccc1OCc1ccc(Cl)cc1 ZINC000124566193 823607023 /nfs/dbraw/zinc/60/70/23/823607023.db2.gz PTCURSALXBOKCC-IBGZPJMESA-N 1 0 397.906 4.298 20 0 GIADRO O=C(NCc1nc(C2CC2)cs1)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000124568740 823607112 /nfs/dbraw/zinc/60/71/12/823607112.db2.gz ZXPVDYIXQIEUBS-UHFFFAOYSA-N 1 0 398.576 4.396 20 0 GIADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1ccc(Oc2ccncc2)c(Cl)c1 ZINC000461261658 823607488 /nfs/dbraw/zinc/60/74/88/823607488.db2.gz XHHINJUFQRKDAP-QGZVFWFLSA-N 1 0 387.911 4.474 20 0 GIADRO COc1cc(NC(=O)CC[NH2+][C@H](C)c2ccc(Cl)cc2)cc(OC)c1OC ZINC000411814554 823607537 /nfs/dbraw/zinc/60/75/37/823607537.db2.gz COFLFAZPYRLCRS-CYBMUJFWSA-N 1 0 392.883 4.045 20 0 GIADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1csc(-c2cccc(Cl)c2)n1 ZINC000461261883 823607641 /nfs/dbraw/zinc/60/76/41/823607641.db2.gz FKOYWELCYGDTFA-MRXNPFEDSA-N 1 0 377.941 4.410 20 0 GIADRO CCSCC[N@@H+]1CCC[C@H]1c1nc(-c2ccccc2Br)no1 ZINC000190781485 823608042 /nfs/dbraw/zinc/60/80/42/823608042.db2.gz VGNISCXDCMYIAA-AWEZNQCLSA-N 1 0 382.327 4.389 20 0 GIADRO Cc1ccc(C(=O)c2ccccc2C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cc1C ZINC000461263452 823608139 /nfs/dbraw/zinc/60/81/39/823608139.db2.gz IWWRVROSDGRGDG-NRFANRHFSA-N 1 0 392.543 4.481 20 0 GIADRO C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000461264126 823608360 /nfs/dbraw/zinc/60/83/60/823608360.db2.gz NKWRNHVCBXIMCX-GHTZIAJQSA-N 1 0 395.547 4.177 20 0 GIADRO C[C@H](Sc1ccc(Br)cc1)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000461265979 823608855 /nfs/dbraw/zinc/60/88/55/823608855.db2.gz PPVRNIYGOXVELK-GOEBONIOSA-N 1 0 399.398 4.263 20 0 GIADRO CN(c1ccc(NC(=O)C2(Cc3ccccc3F)CC2)cc1)C1CC[NH+](C)CC1 ZINC000190794146 823609773 /nfs/dbraw/zinc/60/97/73/823609773.db2.gz NNZLOVQWTAFXCS-UHFFFAOYSA-N 1 0 395.522 4.318 20 0 GIADRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1C(F)(F)F)c1nc2c(s1)CCC2 ZINC000411830312 823609925 /nfs/dbraw/zinc/60/99/25/823609925.db2.gz YYLNTFMKYLYCEG-LLVKDONJSA-N 1 0 383.439 4.330 20 0 GIADRO Cc1cc(N[C@H](C)C(=O)Nc2ccccc2C)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000190796322 823609989 /nfs/dbraw/zinc/60/99/89/823609989.db2.gz VPPJPSLYZSQZOP-HXUWFJFHSA-N 1 0 394.563 4.273 20 0 GIADRO CCc1ccc(-c2noc(CN3CCC(C[NH+]4CCCCCC4)CC3)n2)cc1 ZINC000061735339 823610206 /nfs/dbraw/zinc/61/02/06/823610206.db2.gz OTUAOPZWRLCTRS-UHFFFAOYSA-N 1 0 382.552 4.387 20 0 GIADRO COc1ccc2oc(C[NH2+]C[C@H](O)c3ccc(OC(F)(F)F)cc3)cc2c1 ZINC000124601618 823610322 /nfs/dbraw/zinc/61/03/22/823610322.db2.gz RCWGICJRPWZHHR-KRWDZBQOSA-N 1 0 381.350 4.163 20 0 GIADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)CCSc1ccc(Br)cc1 ZINC000461274707 823610604 /nfs/dbraw/zinc/61/06/04/823610604.db2.gz ZCUKQNDVKGLLGA-INIZCTEOSA-N 1 0 399.398 4.264 20 0 GIADRO Cc1ccc(Br)c(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000124609544 823610771 /nfs/dbraw/zinc/61/07/71/823610771.db2.gz UFXKUPZHWDWIKL-INIZCTEOSA-N 1 0 393.350 4.386 20 0 GIADRO O=C(CC[NH2+][C@H](c1cccs1)C1(CO)CCC1)Nc1ccc(Cl)cc1 ZINC000411868995 823611521 /nfs/dbraw/zinc/61/15/21/823611521.db2.gz JNLNVVGZVRDTKG-GOSISDBHSA-N 1 0 378.925 4.224 20 0 GIADRO CC(=O)Nc1cccc(C(=O)OC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1C ZINC000190808872 823611734 /nfs/dbraw/zinc/61/17/34/823611734.db2.gz DHRPFEWUKCMDCZ-FQEVSTJZSA-N 1 0 380.488 4.022 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)[C@H]2CC(C)(C)Oc3ccccc32)[NH+]2CCCC2)o1 ZINC000411879942 823612279 /nfs/dbraw/zinc/61/22/79/823612279.db2.gz UVJQUCVEKCZUGK-RBUKOAKNSA-N 1 0 382.504 4.186 20 0 GIADRO Cc1ccc([C@H](CNC(=O)[C@@H]2CC(C)(C)Oc3ccccc32)[NH+]2CCCC2)o1 ZINC000411879931 823612362 /nfs/dbraw/zinc/61/23/62/823612362.db2.gz UVJQUCVEKCZUGK-MOPGFXCFSA-N 1 0 382.504 4.186 20 0 GIADRO CC[C@H]([NH2+]CC(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1)c1ccccc1 ZINC000411884350 823612664 /nfs/dbraw/zinc/61/26/64/823612664.db2.gz FIJQXVMHJKPLBU-PMACEKPBSA-N 1 0 382.504 4.108 20 0 GIADRO CC[C@H]([NH2+]CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1)c1ccccc1 ZINC000411885579 823612774 /nfs/dbraw/zinc/61/27/74/823612774.db2.gz CTYCVOAPNRPLQJ-PKOBYXMFSA-N 1 0 377.444 4.291 20 0 GIADRO CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@H](C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000411890041 823613181 /nfs/dbraw/zinc/61/31/81/823613181.db2.gz DJDKXCZSNINPSL-AFBMGJRZSA-N 1 0 379.287 4.222 20 0 GIADRO CC(C)CCc1nnc(N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)n1Cc1cccs1 ZINC000461298096 823613420 /nfs/dbraw/zinc/61/34/20/823613420.db2.gz WPIIBOVJRDWIBF-ZWKOTPCHSA-N 1 0 387.597 4.040 20 0 GIADRO CCC[N@H+](CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)Cc1ccccc1 ZINC000061780665 823613923 /nfs/dbraw/zinc/61/39/23/823613923.db2.gz AWUYJWWCZFYEPZ-OAQYLSRUSA-N 1 0 394.515 4.034 20 0 GIADRO Cc1cc(C(F)(F)F)ccc1C[NH2+]Cc1ccccc1CN1CCCC1=O ZINC000190835106 823614508 /nfs/dbraw/zinc/61/45/08/823614508.db2.gz JCUUWVULFBZBNH-UHFFFAOYSA-N 1 0 376.422 4.426 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000061791281 823614652 /nfs/dbraw/zinc/61/46/52/823614652.db2.gz VOOGBLZBAMNESD-SYURHXKASA-N 1 0 399.604 4.320 20 0 GIADRO C[C@@H](CCc1ccccc1)NC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000061792700 823614854 /nfs/dbraw/zinc/61/48/54/823614854.db2.gz JVCCRWSDNRPIRV-IBGZPJMESA-N 1 0 397.588 4.421 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)N1CCC[C@@H]1c1ccncc1 ZINC000061792490 823614940 /nfs/dbraw/zinc/61/49/40/823614940.db2.gz BHGVGRGMKPCVSC-OAQYLSRUSA-N 1 0 396.560 4.042 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)c2nnc(-c3ccccc3)n2Cc2cccs2)[C@@H](C)C1 ZINC000461309370 823615129 /nfs/dbraw/zinc/61/51/29/823615129.db2.gz QOSMBBLUMYQGDP-FXAWDEMLSA-N 1 0 395.576 4.221 20 0 GIADRO C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000411944751 823615598 /nfs/dbraw/zinc/61/55/98/823615598.db2.gz KDDQAJPNPKEOMO-AUSIDOKSSA-N 1 0 378.516 4.275 20 0 GIADRO C[C@@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)[N@@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000411945247 823615706 /nfs/dbraw/zinc/61/57/06/823615706.db2.gz PIVJQLJPGXUJPL-RYUDHWBXSA-N 1 0 382.291 4.120 20 0 GIADRO Cc1cccc2c1OCC[C@H]2NC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000190845256 823615734 /nfs/dbraw/zinc/61/57/34/823615734.db2.gz NSRFATYKHNSWLQ-HQRMLTQVSA-N 1 0 399.560 4.262 20 0 GIADRO CC(C)[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)C[C@H](O)CC1CCCC1 ZINC000190851297 823616300 /nfs/dbraw/zinc/61/63/00/823616300.db2.gz FQZVRJDGIFTIRW-MRXNPFEDSA-N 1 0 386.458 4.296 20 0 GIADRO C[NH+](C)CCn1c2cc(NCc3cc(Cl)cc(Cl)c3)ccc2oc1=O ZINC000124682293 823616948 /nfs/dbraw/zinc/61/69/48/823616948.db2.gz ILIXDZJKUOCJNG-UHFFFAOYSA-N 1 0 380.275 4.075 20 0 GIADRO CO[C@@](C)([C@H](C)[NH2+]CC(=O)Nc1cccc(CSc2ccccn2)c1)C1CC1 ZINC000411962281 823617072 /nfs/dbraw/zinc/61/70/72/823617072.db2.gz BCASSUVQTFLRCN-AOMKIAJQSA-N 1 0 399.560 4.106 20 0 GIADRO CO[C@](C)([C@@H](C)[NH2+]CC(=O)Nc1cccc(CSc2ccccn2)c1)C1CC1 ZINC000411962284 823617105 /nfs/dbraw/zinc/61/71/05/823617105.db2.gz BCASSUVQTFLRCN-OPAMFIHVSA-N 1 0 399.560 4.106 20 0 GIADRO C[C@H]([NH2+][C@H](CO)[C@H]1CCCOC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000411993484 823618905 /nfs/dbraw/zinc/61/89/05/823618905.db2.gz LLGYPZMKPBKQDH-ZIBATOQPSA-N 1 0 385.348 4.162 20 0 GIADRO CC(C)[C@H](C(=O)NCc1ccc(Oc2ccccc2C(F)(F)F)nc1)[NH+](C)C ZINC000461334248 823619413 /nfs/dbraw/zinc/61/94/13/823619413.db2.gz PZIQUUCTXOIISN-GOSISDBHSA-N 1 0 395.425 4.095 20 0 GIADRO CC(C)Oc1ccc(CC[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)cc1 ZINC000124727738 823621273 /nfs/dbraw/zinc/62/12/73/823621273.db2.gz LWGGSUIDYNRVLE-UHFFFAOYSA-N 1 0 378.516 4.439 20 0 GIADRO Cc1c([C@@H](C)[NH2+]Cc2ccc(N(C)C(C)C)nc2)cnn1-c1ccc(F)cc1 ZINC000190898427 823621547 /nfs/dbraw/zinc/62/15/47/823621547.db2.gz MRUNVYAMPLQGIN-MRXNPFEDSA-N 1 0 381.499 4.410 20 0 GIADRO CSc1ccc(OC[C@H](O)C[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)cc1 ZINC000412007732 823621753 /nfs/dbraw/zinc/62/17/53/823621753.db2.gz DQJFOJUVCJNALJ-KNQAVFIVSA-N 1 0 399.556 4.002 20 0 GIADRO O=C(CC[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1)Nc1cc(F)cc(F)c1 ZINC000412015026 823622951 /nfs/dbraw/zinc/62/29/51/823622951.db2.gz RWLIIPCHKZUBOB-OAQYLSRUSA-N 1 0 386.442 4.147 20 0 GIADRO COCCN(C(C)=O)c1nc(C[N@@H+]2CC[C@H](CC(C)(C)C)C2(C)C)cs1 ZINC000412041799 823623829 /nfs/dbraw/zinc/62/38/29/823623829.db2.gz UJNJPJAUEVMCEC-MRXNPFEDSA-N 1 0 381.586 4.179 20 0 GIADRO Cc1ccc(Sc2ncccc2C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1C ZINC000124764916 823624269 /nfs/dbraw/zinc/62/42/69/823624269.db2.gz LCRWQBFRBWOYNE-QZTJIDSGSA-N 1 0 383.561 4.404 20 0 GIADRO CCCc1c(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)[nH]c(C)c1C(C)=O ZINC000062229868 823625087 /nfs/dbraw/zinc/62/50/87/823625087.db2.gz YHUYYTFRSPVZTQ-HXUWFJFHSA-N 1 0 395.547 4.120 20 0 GIADRO Cc1nnc(-c2ccccc2C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)o1 ZINC000124774139 823625224 /nfs/dbraw/zinc/62/52/24/823625224.db2.gz YSELGNGNVSDYGY-UHFFFAOYSA-N 1 0 376.460 4.283 20 0 GIADRO O=C(CSc1ccccc1Cl)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000062231359 823625293 /nfs/dbraw/zinc/62/52/93/823625293.db2.gz ZIMYGAWFDMJKFB-SFHVURJKSA-N 1 0 388.964 4.461 20 0 GIADRO COC(=O)[C@]1(C)CCC[N@@H+]([C@@H](C)c2nnc(-c3ccc(Cl)c(Cl)c3)o2)C1 ZINC000412072132 823625734 /nfs/dbraw/zinc/62/57/34/823625734.db2.gz PQNLUYWWSCWWAN-BBATYDOGSA-N 1 0 398.290 4.380 20 0 GIADRO O=C(Cc1cnccc1Cl)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000412086743 823626206 /nfs/dbraw/zinc/62/62/06/823626206.db2.gz GBPQCJNGQMHAEA-UHFFFAOYSA-N 1 0 399.966 4.129 20 0 GIADRO Cc1cc(C)c(NC(=O)C[N@@H+]2CCC[C@H](CCC(=O)OC(C)(C)C)C2)c(C)c1 ZINC000412084985 823626234 /nfs/dbraw/zinc/62/62/34/823626234.db2.gz ZBACNDFTOAYADR-LJQANCHMSA-N 1 0 388.552 4.384 20 0 GIADRO COc1cc(C[NH2+]Cc2ccccc2OCc2ccccc2)cc2c1OCO2 ZINC000062254982 823626657 /nfs/dbraw/zinc/62/66/57/823626657.db2.gz MNPCMVRZEKHBKF-UHFFFAOYSA-N 1 0 377.440 4.293 20 0 GIADRO Cc1cc(C[NH2+][C@H](C)COCC(F)(F)F)cc(C)c1OCc1ccccn1 ZINC000062259857 823626833 /nfs/dbraw/zinc/62/68/33/823626833.db2.gz QSGHUQNOFYHLPA-MRXNPFEDSA-N 1 0 382.426 4.334 20 0 GIADRO c1nn(-c2ccccc2)cc1C[NH2+]C1CCN(c2nc3ccccc3s2)CC1 ZINC000062259663 823626921 /nfs/dbraw/zinc/62/69/21/823626921.db2.gz FISHARLNYIKBHE-UHFFFAOYSA-N 1 0 389.528 4.241 20 0 GIADRO COc1ccc(C[NH2+]C2CCN(c3nc4ccccc4s3)CC2)cc1OC ZINC000062259691 823626935 /nfs/dbraw/zinc/62/69/35/823626935.db2.gz SZISASGLGJAHSP-UHFFFAOYSA-N 1 0 383.517 4.072 20 0 GIADRO C[C@H](CC(F)F)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000412112079 823627136 /nfs/dbraw/zinc/62/71/36/823627136.db2.gz BCMACNONMJJXKB-MRRJBJDNSA-N 1 0 392.412 4.496 20 0 GIADRO CC[NH+](CC)[C@@H](C(=O)N1CC[C@H](COCc2ccccc2)C1)c1ccccc1 ZINC000461385361 823627502 /nfs/dbraw/zinc/62/75/02/823627502.db2.gz QPGXQBGXHOAFAR-JTHBVZDNSA-N 1 0 380.532 4.135 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(Br)cc2F)cc1 ZINC000124813231 823628257 /nfs/dbraw/zinc/62/82/57/823628257.db2.gz PQZIKRHOSUKVFS-LBPRGKRZSA-N 1 0 395.272 4.276 20 0 GIADRO Cc1cc(C)c(N2CC[C@H]([NH2+]CC3(c4ccccc4)CCOCC3)C2=O)c(C)c1 ZINC000190944191 823628330 /nfs/dbraw/zinc/62/83/30/823628330.db2.gz UURLIVRJIGVVQN-QFIPXVFZSA-N 1 0 392.543 4.055 20 0 GIADRO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000412128603 823628551 /nfs/dbraw/zinc/62/85/51/823628551.db2.gz MJQOQTRSISCQGI-INIZCTEOSA-N 1 0 398.469 4.098 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3c(C)cc(C)cc3C)C2=O)cc1OC ZINC000190947095 823628768 /nfs/dbraw/zinc/62/87/68/823628768.db2.gz NRTRVVZVNZPNSJ-PKOBYXMFSA-N 1 0 382.504 4.085 20 0 GIADRO CCC[N@H+](Cc1nc2ccccc2[nH]1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000124825184 823629053 /nfs/dbraw/zinc/62/90/53/823629053.db2.gz QWJALBVSJFHQJS-UHFFFAOYSA-N 1 0 376.504 4.080 20 0 GIADRO O=C(Nc1ccc(COC2CCCC2)cc1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412134926 823629106 /nfs/dbraw/zinc/62/91/06/823629106.db2.gz ZGZJGSDVTORYIO-FQEVSTJZSA-N 1 0 388.577 4.302 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C[C@H](c2ccc(O)cc2)C2CC2)C1 ZINC000412136345 823629262 /nfs/dbraw/zinc/62/92/62/823629262.db2.gz ZNVJTTWVQLWGDQ-PWHSHALESA-N 1 0 384.564 4.389 20 0 GIADRO O=C(c1cccc(C[NH+]2CCCCC2)c1)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000412139043 823629600 /nfs/dbraw/zinc/62/96/00/823629600.db2.gz UAXFHPXAHAPSRN-UHFFFAOYSA-N 1 0 396.506 4.495 20 0 GIADRO Cc1cc(C)cc(OC[C@@H](O)C[NH+]2CCC(c3cc4ccccc4[nH]3)CC2)c1 ZINC000062367132 823629847 /nfs/dbraw/zinc/62/98/47/823629847.db2.gz HEVDFBCCOJDFMF-NRFANRHFSA-N 1 0 378.516 4.404 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000062369492 823630142 /nfs/dbraw/zinc/63/01/42/823630142.db2.gz UHUZIKZOPLZCHD-UHFFFAOYSA-N 1 0 379.863 4.083 20 0 GIADRO C[N@H+](CCCc1cc(-c2ccccc2)no1)[C@@H]1CCCN(CC(C)(C)C)C1=O ZINC000461405121 823630385 /nfs/dbraw/zinc/63/03/85/823630385.db2.gz XNHQOTKFNTVYMO-OAQYLSRUSA-N 1 0 383.536 4.243 20 0 GIADRO C[C@@H]1C[C@@H]1[C@@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)c1ccc(Cl)cc1 ZINC000412149856 823630571 /nfs/dbraw/zinc/63/05/71/823630571.db2.gz WNAOVBZYKRSXHP-DPZWOIPNSA-N 1 0 392.996 4.371 20 0 GIADRO CCOc1ccccc1NC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000062374221 823630513 /nfs/dbraw/zinc/63/05/13/823630513.db2.gz XLQGYPKDXVGOEV-UHFFFAOYSA-N 1 0 375.900 4.334 20 0 GIADRO CCC(CC)(C[NH2+]Cc1cc(-c2cccnc2)n[nH]1)c1ccc(OC)c(OC)c1 ZINC000461407949 823630668 /nfs/dbraw/zinc/63/06/68/823630668.db2.gz MVIKCADABFDYJA-UHFFFAOYSA-N 1 0 394.519 4.337 20 0 GIADRO C[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000412151061 823630958 /nfs/dbraw/zinc/63/09/58/823630958.db2.gz YIDSSPZUVVRWGQ-SJLPKXTDSA-N 1 0 398.469 4.098 20 0 GIADRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)Nc1ccccc1N1CCCC1 ZINC000062377088 823631031 /nfs/dbraw/zinc/63/10/31/823631031.db2.gz IPGQMTXVXWCZLS-UHFFFAOYSA-N 1 0 384.499 4.022 20 0 GIADRO Cc1cc(N(C)C)ccc1NC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000062389722 823631978 /nfs/dbraw/zinc/63/19/78/823631978.db2.gz SACJEBDXWMYXJP-UHFFFAOYSA-N 1 0 388.943 4.310 20 0 GIADRO CCOc1cc(F)ccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000062399801 823632634 /nfs/dbraw/zinc/63/26/34/823632634.db2.gz MSSHGTLOHKCQPL-UHFFFAOYSA-N 1 0 395.425 4.098 20 0 GIADRO CN(C)c1c(Cl)cccc1NC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000062399220 823632661 /nfs/dbraw/zinc/63/26/61/823632661.db2.gz UYEREJKHXMLSBN-UHFFFAOYSA-N 1 0 392.906 4.141 20 0 GIADRO O=C(N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)C1(Cc2ccc(F)cc2)CC1 ZINC000461420588 823632790 /nfs/dbraw/zinc/63/27/90/823632790.db2.gz BHPYQXTYYGFNDK-VXKWHMMOSA-N 1 0 392.518 4.129 20 0 GIADRO O=C(N[C@@H](c1ccccc1F)C1CCCC1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412179345 823633232 /nfs/dbraw/zinc/63/32/32/823633232.db2.gz XYSKLYHNOZPBEY-GHTZIAJQSA-N 1 0 390.568 4.391 20 0 GIADRO CC(C)OCc1ccc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000461422501 823633321 /nfs/dbraw/zinc/63/33/21/823633321.db2.gz CXGVZNIRIRZEQX-ZEQRLZLVSA-N 1 0 392.543 4.206 20 0 GIADRO COc1cc(C[NH2+][C@H](C)c2cc(OC)c(OC)c(OC)c2)c2ccccc2n1 ZINC000124877762 823633370 /nfs/dbraw/zinc/63/33/70/823633370.db2.gz OUIUJPHGSXZOJI-CQSZACIVSA-N 1 0 382.460 4.120 20 0 GIADRO O=C(c1cnc2ccccc2c1C(F)(F)F)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000461424065 823633631 /nfs/dbraw/zinc/63/36/31/823633631.db2.gz KZPSXSGSMOPJPA-HNNXBMFYSA-N 1 0 391.437 4.202 20 0 GIADRO Clc1ccccc1C1(C[NH2+]Cc2nccn2-c2ccccc2)CCOCC1 ZINC000190978754 823633684 /nfs/dbraw/zinc/63/36/84/823633684.db2.gz JKYCZHAEHXDZCZ-UHFFFAOYSA-N 1 0 381.907 4.364 20 0 GIADRO Cc1ccccc1SCC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461425656 823633989 /nfs/dbraw/zinc/63/39/89/823633989.db2.gz HZKIWOOLFWNFIJ-RTWAWAEBSA-N 1 0 380.557 4.068 20 0 GIADRO Cc1nc2ccc(C(=O)N3C[C@@H]4C[N@@H+](Cc5ccccc5)CC[C@@H]4C3)cc2s1 ZINC000461428918 823634876 /nfs/dbraw/zinc/63/48/76/823634876.db2.gz UAOCQXYHXDTTMP-UXHICEINSA-N 1 0 391.540 4.199 20 0 GIADRO CSc1cccc(F)c1C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461428850 823634916 /nfs/dbraw/zinc/63/49/16/823634916.db2.gz NUQAANVORNNVJS-ROUUACIJSA-N 1 0 384.520 4.142 20 0 GIADRO C[C@H](CCNC(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1)CC(C)(C)C ZINC000190988506 823635413 /nfs/dbraw/zinc/63/54/13/823635413.db2.gz FRYKEZDGODFQDL-LJQANCHMSA-N 1 0 388.600 4.192 20 0 GIADRO C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000461431174 823635706 /nfs/dbraw/zinc/63/57/06/823635706.db2.gz ZFPQKLSULXCRTD-NHCUHLMSSA-N 1 0 392.543 4.455 20 0 GIADRO C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000461431173 823635727 /nfs/dbraw/zinc/63/57/27/823635727.db2.gz ZFPQKLSULXCRTD-LEWJYISDSA-N 1 0 392.543 4.455 20 0 GIADRO C[C@H](Oc1ccccc1Cl)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461431882 823635952 /nfs/dbraw/zinc/63/59/52/823635952.db2.gz UECNJUPDJSUUHK-YSIASYRMSA-N 1 0 398.934 4.088 20 0 GIADRO CC(C)(C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)c1cccc(F)c1 ZINC000461433474 823636261 /nfs/dbraw/zinc/63/62/61/823636261.db2.gz CKMPKYJGMUUASK-UXHICEINSA-N 1 0 380.507 4.084 20 0 GIADRO O=C(COc1ccccc1-c1ccccc1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000461433161 823636303 /nfs/dbraw/zinc/63/63/03/823636303.db2.gz QKTUIKBSNOFEBW-HXUWFJFHSA-N 1 0 378.516 4.067 20 0 GIADRO CC(C)(CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)c1ccccc1 ZINC000461433602 823636319 /nfs/dbraw/zinc/63/63/19/823636319.db2.gz WTFJGUOHFYXEIA-YADHBBJMSA-N 1 0 376.544 4.335 20 0 GIADRO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CCCC[C@@H]1CCc1ccccc1 ZINC000412215134 823636347 /nfs/dbraw/zinc/63/63/47/823636347.db2.gz HAFHQMJKSOAFGN-FGZHOGPDSA-N 1 0 386.605 4.218 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)c2cc(C)nc3c2cnn3[C@@H](C)CC)CC1 ZINC000124914924 823636544 /nfs/dbraw/zinc/63/65/44/823636544.db2.gz HCJWATCADTUVRK-SFHVURJKSA-N 1 0 399.583 4.295 20 0 GIADRO O=C(CCc1cc(Cl)cs1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461435398 823636724 /nfs/dbraw/zinc/63/67/24/823636724.db2.gz XPYFECVGVHLLFA-ROUUACIJSA-N 1 0 388.964 4.315 20 0 GIADRO Cc1ccc2nc(C)c(C(=O)N3C[C@H]4CC[N@H+](Cc5ccccc5)C[C@@H]4C3)cc2c1 ZINC000461435705 823636773 /nfs/dbraw/zinc/63/67/73/823636773.db2.gz KDDCDHGVGUQOGZ-FYYLOGMGSA-N 1 0 399.538 4.446 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)N1CCC(c2cc3ccccc3[nH]2)CC1)c1ccccc1 ZINC000062474114 823636911 /nfs/dbraw/zinc/63/69/11/823636911.db2.gz OAVQLGQRLQVUND-QHCPKHFHSA-N 1 0 390.531 4.360 20 0 GIADRO O=C(CCCOc1cccc(Cl)c1Cl)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000461436525 823637126 /nfs/dbraw/zinc/63/71/26/823637126.db2.gz CAJCQYHVIPMYIP-MRXNPFEDSA-N 1 0 399.362 4.487 20 0 GIADRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)NCCSc1ccccc1 ZINC000062475652 823637153 /nfs/dbraw/zinc/63/71/53/823637153.db2.gz WNNZHVKVLGAYRQ-UHFFFAOYSA-N 1 0 391.968 4.206 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H]1C[C@@]1(F)c1ccccc1 ZINC000412225770 823637300 /nfs/dbraw/zinc/63/73/00/823637300.db2.gz HGACHWACXQXBEM-FYYLOGMGSA-N 1 0 381.495 4.031 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)N[C@H](c1ccccc1)C1CC1 ZINC000062476988 823637396 /nfs/dbraw/zinc/63/73/96/823637396.db2.gz DSALEUVBCKXZGV-OAQYLSRUSA-N 1 0 387.474 4.189 20 0 GIADRO O=C(CCn1ccc2ccccc21)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461439281 823637521 /nfs/dbraw/zinc/63/75/21/823637521.db2.gz QJAWYJIIFYGBAI-PKTZIBPZSA-N 1 0 387.527 4.012 20 0 GIADRO O=C(c1ccc(OCc2ccccc2)cc1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000461439221 823637574 /nfs/dbraw/zinc/63/75/74/823637574.db2.gz PPLCEIOWGBDQCJ-OAQYLSRUSA-N 1 0 378.516 4.214 20 0 GIADRO O=C(c1cc2ccccc2s1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461439435 823637623 /nfs/dbraw/zinc/63/76/23/823637623.db2.gz RJVMHHUIHGPTOO-WOJBJXKFSA-N 1 0 376.525 4.495 20 0 GIADRO O=C(Nc1ccc(COc2ccccc2)cc1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412229835 823637671 /nfs/dbraw/zinc/63/76/71/823637671.db2.gz IDZSQPLCBFHKMA-NRFANRHFSA-N 1 0 396.556 4.422 20 0 GIADRO CC(C)(C)Oc1ccc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000461439575 823637672 /nfs/dbraw/zinc/63/76/72/823637672.db2.gz SKYPHLJKKZYPLG-VXKWHMMOSA-N 1 0 392.543 4.458 20 0 GIADRO O=C(c1cc2c(s1)-c1ccccc1CC2)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000461439566 823637717 /nfs/dbraw/zinc/63/77/17/823637717.db2.gz SJAQRXYEYKYWOM-QGZVFWFLSA-N 1 0 380.557 4.462 20 0 GIADRO COc1ccc(OC)c([C@H](O)C[NH2+][C@@H](C)c2ccc(SCC(F)F)cc2)c1 ZINC000124927863 823637825 /nfs/dbraw/zinc/63/78/25/823637825.db2.gz WENLJLFWHWRORM-SCLBCKFNSA-N 1 0 397.487 4.445 20 0 GIADRO Cc1nc(CC(C)C)c(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000461440098 823637933 /nfs/dbraw/zinc/63/79/33/823637933.db2.gz WSZLGMBCXWYJGV-PMACEKPBSA-N 1 0 397.588 4.244 20 0 GIADRO O=C(c1cccn1C1CCCC1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461441240 823638260 /nfs/dbraw/zinc/63/82/60/823638260.db2.gz FBAABOISNDPCKH-RTWAWAEBSA-N 1 0 377.532 4.197 20 0 GIADRO O=C(N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)C1(c2cccc(F)c2)CCC1 ZINC000461442250 823638451 /nfs/dbraw/zinc/63/84/51/823638451.db2.gz FGUYRXYWIVSFCV-RTWAWAEBSA-N 1 0 392.518 4.228 20 0 GIADRO O=C(N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)C1(c2ccc(Cl)cc2)CC1 ZINC000461441895 823638470 /nfs/dbraw/zinc/63/84/70/823638470.db2.gz DLFIYAPAZQRNLF-PMACEKPBSA-N 1 0 394.946 4.352 20 0 GIADRO C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000461442455 823638513 /nfs/dbraw/zinc/63/85/13/823638513.db2.gz JOMLOQICOLCQDQ-GJZGRUSLSA-N 1 0 385.335 4.095 20 0 GIADRO C[C@H](CC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(F)cc1F ZINC000124936056 823638571 /nfs/dbraw/zinc/63/85/71/823638571.db2.gz RHCMGQYFZAACJD-IEBWSBKVSA-N 1 0 386.486 4.139 20 0 GIADRO COc1ccc2occ(C(=O)N3C[C@H]4CC[N@H+](Cc5ccccc5)C[C@@H]4C3)c2c1 ZINC000461442796 823638647 /nfs/dbraw/zinc/63/86/47/823638647.db2.gz FUCKKHOLGCOEQA-RTBURBONSA-N 1 0 390.483 4.036 20 0 GIADRO O=C([C@@H]1C[C@@H]1c1ccc(F)c(F)c1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461443515 823638895 /nfs/dbraw/zinc/63/88/95/823638895.db2.gz BAKHXCJVIRVZTQ-UWHLTILDSA-N 1 0 396.481 4.049 20 0 GIADRO COc1ccccc1[C@H](C)CC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461444554 823638996 /nfs/dbraw/zinc/63/89/96/823638996.db2.gz LCGPCKLYOLYDCG-BAGYTPMASA-N 1 0 392.543 4.169 20 0 GIADRO CCCOc1cccc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000461444601 823639029 /nfs/dbraw/zinc/63/90/29/823639029.db2.gz LRUBJIJDXQFFMR-FCHUYYIVSA-N 1 0 378.516 4.070 20 0 GIADRO O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000412242249 823639099 /nfs/dbraw/zinc/63/90/99/823639099.db2.gz CVQSAOVPJFEMNO-UWJYYQICSA-N 1 0 390.568 4.139 20 0 GIADRO CC[C@@H](CC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(OC)cc1 ZINC000124943990 823639173 /nfs/dbraw/zinc/63/91/73/823639173.db2.gz COUBIZKWFIKDJI-YADHBBJMSA-N 1 0 394.559 4.260 20 0 GIADRO CC[C@H](c1ccncc1)N(C)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000124945967 823639302 /nfs/dbraw/zinc/63/93/02/823639302.db2.gz ZOVYVKCVBHUZEF-YLJYHZDGSA-N 1 0 386.565 4.148 20 0 GIADRO CSc1c(F)cccc1C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461449903 823640022 /nfs/dbraw/zinc/64/00/22/823640022.db2.gz PEXRSSSSAOTJOL-ZWKOTPCHSA-N 1 0 384.520 4.142 20 0 GIADRO O=C(NCc1ccccc1N1CCCC1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000062527794 823640033 /nfs/dbraw/zinc/64/00/33/823640033.db2.gz WFJFBSDFXGMNLQ-UHFFFAOYSA-N 1 0 398.595 4.131 20 0 GIADRO CC(C)COc1ccc(C2(C(=O)N3CC[C@@H](C[NH+]4CCCCC4)C3)CCC2)cc1 ZINC000461450063 823640146 /nfs/dbraw/zinc/64/01/46/823640146.db2.gz SECXSUJVQJSBPO-NRFANRHFSA-N 1 0 398.591 4.478 20 0 GIADRO O=C(NC1CC[NH+](CC2CCCCC2)CC1)N1CCc2[nH]c3ccccc3c2C1 ZINC000062529051 823640316 /nfs/dbraw/zinc/64/03/16/823640316.db2.gz DIHLYFWNCLUDHG-UHFFFAOYSA-N 1 0 394.563 4.280 20 0 GIADRO O=C(c1cc(O)c2ccccc2c1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461450864 823640335 /nfs/dbraw/zinc/64/03/35/823640335.db2.gz RONMYRUMCNNOEC-UNMCSNQZSA-N 1 0 386.495 4.140 20 0 GIADRO CC(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412257305 823640495 /nfs/dbraw/zinc/64/04/95/823640495.db2.gz WSKUAYHCYDKQTQ-ONTIZHBOSA-N 1 0 386.605 4.280 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)CCSc2ccc3c(c2)OCCCO3)c1 ZINC000124958104 823640675 /nfs/dbraw/zinc/64/06/75/823640675.db2.gz GUSBYKWUZBJOED-UHFFFAOYSA-N 1 0 386.517 4.030 20 0 GIADRO Cc1cc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c(Cl)cc1F ZINC000461453189 823640733 /nfs/dbraw/zinc/64/07/33/823640733.db2.gz XBKYEBIOOBEUMZ-ZWKOTPCHSA-N 1 0 386.898 4.382 20 0 GIADRO C[C@H](Sc1ccccc1)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461452867 823640754 /nfs/dbraw/zinc/64/07/54/823640754.db2.gz YMPNEJWVJHDFHV-SESVDKBCSA-N 1 0 380.557 4.148 20 0 GIADRO O=C([C@@H]1C[C@@H]1c1cccc(F)c1F)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461452644 823640781 /nfs/dbraw/zinc/64/07/81/823640781.db2.gz WIUIXLAFDNBKTH-KOUHRCEDSA-N 1 0 396.481 4.049 20 0 GIADRO COc1cc(Cl)c(F)c(C(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000412261927 823641011 /nfs/dbraw/zinc/64/10/11/823641011.db2.gz XKOVXAMUOLBOOR-ZBFHGGJFSA-N 1 0 390.886 4.128 20 0 GIADRO Cc1nc(CC(C)C)oc1C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000191040490 823641297 /nfs/dbraw/zinc/64/12/97/823641297.db2.gz IRFZOSQWWXQVIJ-MRXNPFEDSA-N 1 0 397.441 4.233 20 0 GIADRO Cc1c2cc(F)ccc2oc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461456285 823641469 /nfs/dbraw/zinc/64/14/69/823641469.db2.gz NXQHHMVVKPZGGH-RTBURBONSA-N 1 0 392.474 4.474 20 0 GIADRO COc1ccc(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)c(OC(F)F)c1 ZINC000191050631 823642574 /nfs/dbraw/zinc/64/25/74/823642574.db2.gz ZIIBAQCVZWFIDB-MRXNPFEDSA-N 1 0 396.478 4.025 20 0 GIADRO COc1ccc(Br)cc1NC(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000062640866 823643010 /nfs/dbraw/zinc/64/30/10/823643010.db2.gz ZFAAIZAOFPQWGP-UHFFFAOYSA-N 1 0 398.345 4.043 20 0 GIADRO Cc1cc(C)n(-c2ccc(C[NH+]3CCC(C(=O)c4ccc(O)cc4)CC3)cc2)n1 ZINC000124992600 823643234 /nfs/dbraw/zinc/64/32/34/823643234.db2.gz UTHVTJGTRBIVHK-UHFFFAOYSA-N 1 0 389.499 4.290 20 0 GIADRO c1csc(Cn2c(C3CCC3)nnc2N2CCC[N@@H+](C3CCCC3)CC2)c1 ZINC000461472354 823643824 /nfs/dbraw/zinc/64/38/24/823643824.db2.gz BAKPNYTZXWBMIZ-UHFFFAOYSA-N 1 0 385.581 4.110 20 0 GIADRO CCC(=O)c1ccc(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000461472246 823643932 /nfs/dbraw/zinc/64/39/32/823643932.db2.gz VZPJTVZDZVRHPE-HXUWFJFHSA-N 1 0 378.516 4.311 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H](C)c1cccc(O)c1 ZINC000191067847 823644520 /nfs/dbraw/zinc/64/45/20/823644520.db2.gz HRSRXOGHOJEJQD-UYAOXDASSA-N 1 0 381.520 4.007 20 0 GIADRO COc1ccc([C@H](C)[NH2+]C[C@H](c2ccc(C)cc2)N2CCCC2)cc1NC(C)=O ZINC000125015210 823645201 /nfs/dbraw/zinc/64/52/01/823645201.db2.gz RHYPBRDOOYBORI-FDDCHVKYSA-N 1 0 395.547 4.450 20 0 GIADRO FC(F)(F)c1cccc(CCCC[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c1 ZINC000191075490 823645592 /nfs/dbraw/zinc/64/55/92/823645592.db2.gz LWJOGTNUCMLFLL-QGZVFWFLSA-N 1 0 392.469 4.445 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)Nc2cc(NC(C)=O)ccc2Cl)CC1 ZINC000125025703 823646115 /nfs/dbraw/zinc/64/61/15/823646115.db2.gz ZDFVDSAIZRHSTI-UHFFFAOYSA-N 1 0 394.947 4.274 20 0 GIADRO CCC[NH+]1CCC(N(C)c2nnc([C@H](C)CC)n2Cc2cccs2)CC1 ZINC000461488400 823647036 /nfs/dbraw/zinc/64/70/36/823647036.db2.gz ODOLHJSLHHGQHG-MRXNPFEDSA-N 1 0 375.586 4.212 20 0 GIADRO COc1ccc(OC)c([C@H](O)C[NH2+][C@@H]2CCSc3c(Cl)cccc32)c1 ZINC000125044896 823647672 /nfs/dbraw/zinc/64/76/72/823647672.db2.gz XFEPRDIOCHEECT-IAGOWNOFSA-N 1 0 379.909 4.217 20 0 GIADRO COc1ccc(OC)c([C@@H](O)C[NH2+][C@H](C)c2ccc(SC(F)F)cc2)c1 ZINC000125046405 823647828 /nfs/dbraw/zinc/64/78/28/823647828.db2.gz OOENYDFBMNZXCZ-PXAZEXFGSA-N 1 0 383.460 4.403 20 0 GIADRO COc1cccc(CN(CC[NH+](C)C)C(=O)Nc2ccccc2OC(C)C)c1 ZINC000191093446 823648157 /nfs/dbraw/zinc/64/81/57/823648157.db2.gz ZGRBPRNQGMWNSD-UHFFFAOYSA-N 1 0 385.508 4.078 20 0 GIADRO Cc1nn(C)c2ncc(C[NH2+]CC3(c4cc(F)cc(C(F)(F)F)c4)CC3)cc12 ZINC000191101305 823649214 /nfs/dbraw/zinc/64/92/14/823649214.db2.gz ADOBDUZTIOMVTR-UHFFFAOYSA-N 1 0 392.400 4.256 20 0 GIADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc4noc(-c5ccc(F)cc5)c4c3)CC[C@@H]21 ZINC000125073354 823649946 /nfs/dbraw/zinc/64/99/46/823649946.db2.gz DOVAETKVCCRPHO-UTKZUKDTSA-N 1 0 393.462 4.190 20 0 GIADRO C[C@@H](c1nnc(SCC[C@H]2CCC[N@@H+]2C)n1-c1ccccc1)N1CCCCC1 ZINC000125075588 823650154 /nfs/dbraw/zinc/65/01/54/823650154.db2.gz PTPJTGPANKSAEL-RBUKOAKNSA-N 1 0 399.608 4.391 20 0 GIADRO CC[C@H](C(=O)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1)[NH+](CC)CC ZINC000461503827 823650113 /nfs/dbraw/zinc/65/01/13/823650113.db2.gz VULWBZFFDMJOCU-QGZVFWFLSA-N 1 0 390.915 4.001 20 0 GIADRO C[C@H](NC(=O)NC1CCC(C[NH+](C)C)CC1)c1ccc(-c2ccncc2)cc1 ZINC000125079308 823650349 /nfs/dbraw/zinc/65/03/49/823650349.db2.gz XDTGPXLDLZXJLL-LYGNXSNRSA-N 1 0 380.536 4.229 20 0 GIADRO Cc1ccc(CSCC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000063081165 823650579 /nfs/dbraw/zinc/65/05/79/823650579.db2.gz RYDZUOQCHRNDLW-UHFFFAOYSA-N 1 0 382.573 4.257 20 0 GIADRO COc1ccc2oc(C)c(C(=O)NCC3CC[NH+](Cc4ccccc4)CC3)c2c1 ZINC000063081590 823650645 /nfs/dbraw/zinc/65/06/45/823650645.db2.gz KNQDNTTVHRJKHP-UHFFFAOYSA-N 1 0 392.499 4.392 20 0 GIADRO C[C@@H](OC1CCCCCC1)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000125085663 823650824 /nfs/dbraw/zinc/65/08/24/823650824.db2.gz NCQGBHOLODITHS-GOSISDBHSA-N 1 0 387.568 4.283 20 0 GIADRO Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000125086796 823650859 /nfs/dbraw/zinc/65/08/59/823650859.db2.gz UZWVXNOWMWKGHS-KRWDZBQOSA-N 1 0 394.519 4.101 20 0 GIADRO O=C(N[C@@H](c1ccc(F)c(Cl)c1)C1CC1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412382083 823651092 /nfs/dbraw/zinc/65/10/92/823651092.db2.gz LHDIFWSTFBCCCC-QFBILLFUSA-N 1 0 396.959 4.264 20 0 GIADRO C[C@H]1C[C@H]1c1ccc(CCC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000063112429 823651867 /nfs/dbraw/zinc/65/18/67/823651867.db2.gz WIFMAWKRDHRVFT-PGRDOPGGSA-N 1 0 380.532 4.364 20 0 GIADRO CN(Cc1ccc(Cl)s1)C(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000063144581 823652682 /nfs/dbraw/zinc/65/26/82/823652682.db2.gz KTUAUANOTMUIIP-UHFFFAOYSA-N 1 0 394.009 4.372 20 0 GIADRO O=C(N[C@H](Cc1ccccc1)c1ccccc1F)NC1CC[NH+](C2CC2)CC1 ZINC000125118741 823652851 /nfs/dbraw/zinc/65/28/51/823652851.db2.gz QYNLGWBCYYTOAX-JOCHJYFZSA-N 1 0 381.495 4.036 20 0 GIADRO Cc1cccc([C@H](NC(=O)NCc2cccc(C[NH+](C)C)c2)c2ccccn2)c1 ZINC000125119475 823652870 /nfs/dbraw/zinc/65/28/70/823652870.db2.gz WEQWBWONVGBBNA-QHCPKHFHSA-N 1 0 388.515 4.040 20 0 GIADRO CC(C)Oc1ccc(NC(=S)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000063149465 823652931 /nfs/dbraw/zinc/65/29/31/823652931.db2.gz IMRLLRRNORGCTM-UHFFFAOYSA-N 1 0 383.561 4.425 20 0 GIADRO CCCS(=O)(=O)N1CCC([NH2+][C@H](CC)c2ccc(Cl)c(Cl)c2)CC1 ZINC000125129092 823653604 /nfs/dbraw/zinc/65/36/04/823653604.db2.gz GSXVUYFYIJIBTM-QGZVFWFLSA-N 1 0 393.380 4.238 20 0 GIADRO O=C(N[C@@H]1CC[C@H](c2cccc(Cl)c2)C1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412416915 823654356 /nfs/dbraw/zinc/65/43/56/823654356.db2.gz YKKOYAUUCZSZNW-SXLOBPIMSA-N 1 0 392.996 4.310 20 0 GIADRO CC(C)(NC(=O)c1cccc(C[NH+]2CCCCC2)c1)c1cc(C(F)(F)F)on1 ZINC000412423649 823654603 /nfs/dbraw/zinc/65/46/03/823654603.db2.gz YKCHJJFNLGBANI-UHFFFAOYSA-N 1 0 395.425 4.344 20 0 GIADRO C[C@@H](c1nc(-c2ccc(-n3cnc4ccccc43)nc2)no1)[NH+]1[C@H](C)CC[C@H]1C ZINC000191169287 823655745 /nfs/dbraw/zinc/65/57/45/823655745.db2.gz PVTBTLPQMAMVAR-OAGGEKHMSA-N 1 0 388.475 4.404 20 0 GIADRO Cc1c([C@@H](C)[NH2+][C@H](C)c2ccc(OCC(=O)NC3CC3)cc2)cnn1C(C)(C)C ZINC000191185020 823657221 /nfs/dbraw/zinc/65/72/21/823657221.db2.gz ICTZDBUJACLLLJ-HZPDHXFCSA-N 1 0 398.551 4.016 20 0 GIADRO CC[N@H+](Cc1c[nH]c2ccccc12)Cc1ccc(OCc2noc(C)n2)cc1 ZINC000191189453 823657803 /nfs/dbraw/zinc/65/78/03/823657803.db2.gz MIHWMANTSDJEKR-UHFFFAOYSA-N 1 0 376.460 4.460 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)c3sccc3C3CC3)CC2)cc1 ZINC000063262279 823657878 /nfs/dbraw/zinc/65/78/78/823657878.db2.gz ROFUDRAVEATRPC-UHFFFAOYSA-N 1 0 384.545 4.276 20 0 GIADRO Brc1ccc(C[NH2+]C[C@H]2CSCCS2)cc1Br ZINC000125188842 823657870 /nfs/dbraw/zinc/65/78/70/823657870.db2.gz YEEBEHPLNZTQMS-JTQLQIEISA-N 1 0 397.201 4.150 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)c3ccc4ccccc4c3)CC2)cc1 ZINC000063263858 823658141 /nfs/dbraw/zinc/65/81/41/823658141.db2.gz AQRIXSDZTPQOBB-UHFFFAOYSA-N 1 0 388.511 4.490 20 0 GIADRO Cc1c([C@@H](C)[NH2+]Cc2cccc(NC(=O)c3ccncc3)c2)cnn1C(C)C ZINC000191194992 823658251 /nfs/dbraw/zinc/65/82/51/823658251.db2.gz XGZQMGIGHAMRTP-MRXNPFEDSA-N 1 0 377.492 4.271 20 0 GIADRO Cc1cc([C@H](C)[NH2+]Cc2ccccc2CS(=O)(=O)NC(C)C)c(C)s1 ZINC000125194812 823658329 /nfs/dbraw/zinc/65/83/29/823658329.db2.gz GMHZVUYMJJNINE-HNNXBMFYSA-N 1 0 380.579 4.044 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccc(Oc2cccnc2)cc1 ZINC000063265432 823658367 /nfs/dbraw/zinc/65/83/67/823658367.db2.gz ZHPSZYWGADORSS-UHFFFAOYSA-N 1 0 387.483 4.400 20 0 GIADRO Cc1c([C@@H](C)[NH2+]C[C@@H](O)COc2cccc(C(F)(F)F)c2)cnn1C(C)(C)C ZINC000191209938 823659443 /nfs/dbraw/zinc/65/94/43/823659443.db2.gz QECITTMKGBEZJQ-CZUORRHYSA-N 1 0 399.457 4.056 20 0 GIADRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1ccc(Oc2cccnc2)cc1 ZINC000063289429 823660393 /nfs/dbraw/zinc/66/03/93/823660393.db2.gz HCJCVCKMCKSNNR-UHFFFAOYSA-N 1 0 387.483 4.052 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1ccc(Oc2cccnc2)cc1 ZINC000063289469 823660402 /nfs/dbraw/zinc/66/04/02/823660402.db2.gz NNERHOPIJMRRJX-UHFFFAOYSA-N 1 0 387.483 4.400 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1ccc(Oc2cccnc2)cc1)c1ccc(F)cc1 ZINC000063295479 823660517 /nfs/dbraw/zinc/66/05/17/823660517.db2.gz OBJVHODXQLIWHT-NRFANRHFSA-N 1 0 379.435 4.046 20 0 GIADRO CC1CC[NH+](Cc2ccc(NC(=O)CC3CCC4(CC3)OCCO4)cc2)CC1 ZINC000191223715 823660657 /nfs/dbraw/zinc/66/06/57/823660657.db2.gz PDDSQYIYNXBRDA-UHFFFAOYSA-N 1 0 386.536 4.180 20 0 GIADRO COC(=O)[C@@H](C)c1cccc(NC(=O)c2oc3ccccc3c2C[NH+](C)C)c1 ZINC000412552659 823661627 /nfs/dbraw/zinc/66/16/27/823661627.db2.gz UTVKEKQVCJDQME-AWEZNQCLSA-N 1 0 380.444 4.023 20 0 GIADRO Cc1c([C@@H](C)[NH2+]C[C@H](c2ccc(Cl)cc2)N2CCOCC2)cnn1C(C)C ZINC000191237148 823661992 /nfs/dbraw/zinc/66/19/92/823661992.db2.gz UULQUGSLJSBVNA-IIBYNOLFSA-N 1 0 390.959 4.150 20 0 GIADRO CC[C@@H](C[NH2+]Cc1ccc(OCc2cn3cccc(C)c3n2)cc1)N1CCCC1 ZINC000063313184 823662006 /nfs/dbraw/zinc/66/20/06/823662006.db2.gz JZYLGIOMNNPWGA-QFIPXVFZSA-N 1 0 392.547 4.186 20 0 GIADRO Cc1cccn2cc(COc3ccc(C[NH2+]Cc4ccc(C#N)cc4)cc3)nc12 ZINC000063313309 823662012 /nfs/dbraw/zinc/66/20/12/823662012.db2.gz OIKHUULLUBGZEE-UHFFFAOYSA-N 1 0 382.467 4.383 20 0 GIADRO CCOc1cccc([C@@H](C)NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000063320882 823662110 /nfs/dbraw/zinc/66/21/10/823662110.db2.gz JRMKWRFDCACTPH-GOSISDBHSA-N 1 0 381.520 4.110 20 0 GIADRO Cc1cc(C(=O)Nc2ccc(C[NH+](C)C)cc2F)nn1-c1cc(C)cc(C)c1 ZINC000412559152 823662154 /nfs/dbraw/zinc/66/21/54/823662154.db2.gz MRCHXNZZWQDBMA-UHFFFAOYSA-N 1 0 380.467 4.251 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)Cc1c(Cl)cccc1Cl ZINC000412562219 823662524 /nfs/dbraw/zinc/66/25/24/823662524.db2.gz HJJBVMFNHDZHDY-UHFFFAOYSA-N 1 0 397.302 4.124 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)CCCc1ccc(Cl)cc1 ZINC000412561609 823662582 /nfs/dbraw/zinc/66/25/82/823662582.db2.gz FJJPPACRBOECPF-UHFFFAOYSA-N 1 0 390.911 4.250 20 0 GIADRO CCOc1cccc([C@@H](C)NC(=O)NCc2ccccc2C[NH+](CC)CC)c1 ZINC000063322989 823662670 /nfs/dbraw/zinc/66/26/70/823662670.db2.gz UAFPUJAQAUHPLJ-GOSISDBHSA-N 1 0 383.536 4.488 20 0 GIADRO CC[C@H](C)Oc1ccc(C(=O)Nc2ccc(OCC[NH+](C)C)cc2OC)cc1 ZINC000412562571 823662729 /nfs/dbraw/zinc/66/27/29/823662729.db2.gz ISJMQLHWFOBJBW-INIZCTEOSA-N 1 0 386.492 4.065 20 0 GIADRO Cc1cc(C(=O)Nc2ccc(C[NH+](C)C)cc2F)ccc1NC(=O)CC(C)C ZINC000412562600 823662792 /nfs/dbraw/zinc/66/27/92/823662792.db2.gz XCJAGHFQWXNQJW-UHFFFAOYSA-N 1 0 385.483 4.433 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)c1cc2cccc(C)c2s1 ZINC000412566129 823662959 /nfs/dbraw/zinc/66/29/59/823662959.db2.gz DSEMTFIEXAFLQT-UHFFFAOYSA-N 1 0 384.501 4.411 20 0 GIADRO COc1ccccc1CC(=O)N1CCC([NH2+][C@H](C)c2csc(Cl)c2)CC1 ZINC000191247292 823663207 /nfs/dbraw/zinc/66/32/07/823663207.db2.gz LRMLBZCBIJKZRX-CQSZACIVSA-N 1 0 392.952 4.294 20 0 GIADRO O[C@H](C[NH2+]C1(c2cc(C(F)(F)F)ccc2Cl)CC1)COCc1ccco1 ZINC000191250497 823663401 /nfs/dbraw/zinc/66/34/01/823663401.db2.gz GINOXNLFHQQLPS-CYBMUJFWSA-N 1 0 389.801 4.108 20 0 GIADRO O=C(NC1CC[NH+](CC2CCCC2)CC1)N1CCC(COc2ccccc2)CC1 ZINC000063331894 823663379 /nfs/dbraw/zinc/66/33/79/823663379.db2.gz WIBULSLTSSGNKS-UHFFFAOYSA-N 1 0 399.579 4.142 20 0 GIADRO CCCOCc1ccccc1CNC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000063332078 823663427 /nfs/dbraw/zinc/66/34/27/823663427.db2.gz OHPATFQPHPCCEN-UHFFFAOYSA-N 1 0 387.568 4.067 20 0 GIADRO C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CCN(c3ccccc3Cl)C2)c(F)c1 ZINC000412571838 823663709 /nfs/dbraw/zinc/66/37/09/823663709.db2.gz KFGRGGIPCJPYJV-OAHLLOKOSA-N 1 0 375.875 4.006 20 0 GIADRO CCC[C@@H]([NH2+][C@@H](C)c1cnn(C(C)C)c1C)C(=O)N1CCc2sccc2C1 ZINC000191256720 823663976 /nfs/dbraw/zinc/66/39/76/823663976.db2.gz XRFUNSSAMIWRKI-HNAYVOBHSA-N 1 0 388.581 4.238 20 0 GIADRO COCCN(C)c1ccc(C[NH2+][C@@H](C)c2ccc(-c3cccnc3)cc2)cn1 ZINC000191272097 823665963 /nfs/dbraw/zinc/66/59/63/823665963.db2.gz ZEIOPTCJUUDZGX-SFHVURJKSA-N 1 0 376.504 4.077 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@@H](C)Cn2cc(Br)cn2)ccc1OC(C)C ZINC000125299826 823665996 /nfs/dbraw/zinc/66/59/96/823665996.db2.gz VKIWYHQZHBVMGU-UONOGXRCSA-N 1 0 396.329 4.181 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)Nc3cc(F)ccc3C)CC2)cc1 ZINC000063388874 823666299 /nfs/dbraw/zinc/66/62/99/823666299.db2.gz BXNAOOLDFKLYKV-UHFFFAOYSA-N 1 0 385.483 4.176 20 0 GIADRO COc1ccc([C@H](C)[NH2+]C[C@H](O)c2ccc(C(C)(C)C)cc2)cc1NC(C)=O ZINC000125310280 823666853 /nfs/dbraw/zinc/66/68/53/823666853.db2.gz ZAEJHELSMOPPDO-BTYIYWSLSA-N 1 0 384.520 4.335 20 0 GIADRO Cc1c([C@@H](C)[NH2+][C@H]2CCN(c3ccccc3Br)C2)cnn1C(C)C ZINC000191281093 823666929 /nfs/dbraw/zinc/66/69/29/823666929.db2.gz SNWVTQQNORPDSE-ZBFHGGJFSA-N 1 0 391.357 4.464 20 0 GIADRO Cc1oc(C)c(C(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1C ZINC000125320820 823667540 /nfs/dbraw/zinc/66/75/40/823667540.db2.gz HIFPEFUWNBQXIQ-DNVCBOLYSA-N 1 0 378.875 4.420 20 0 GIADRO CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N2CCC([N@@H+]3CCC[C@H]3C)CC2)c1 ZINC000125322683 823667765 /nfs/dbraw/zinc/66/77/65/823667765.db2.gz NCUCOSHQEOZOSU-OAHLLOKOSA-N 1 0 391.943 4.023 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)N(CCC(C)C)C3CC3)CC2)cc1 ZINC000063407193 823668863 /nfs/dbraw/zinc/66/88/63/823668863.db2.gz MTJNPNLCPKZCJG-UHFFFAOYSA-N 1 0 387.568 4.127 20 0 GIADRO CCOc1cccc([C@@H](C)NC(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000063405091 823668867 /nfs/dbraw/zinc/66/88/67/823668867.db2.gz HCPKRTBWUQLZSF-GOSISDBHSA-N 1 0 395.547 4.282 20 0 GIADRO CCOc1cccc([C@H](C)NC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000063405130 823668882 /nfs/dbraw/zinc/66/88/82/823668882.db2.gz FETYWXOPMABUCK-PGRDOPGGSA-N 1 0 381.520 4.283 20 0 GIADRO CCC(CC)CN(CC)C(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000063407467 823668903 /nfs/dbraw/zinc/66/89/03/823668903.db2.gz XLLRUDLPGYXOOK-UHFFFAOYSA-N 1 0 389.584 4.375 20 0 GIADRO COc1ccccc1C(C)(C)CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000063408727 823669163 /nfs/dbraw/zinc/66/91/63/823669163.db2.gz OONOWHLDSKNZNL-OAQYLSRUSA-N 1 0 395.547 4.109 20 0 GIADRO C[C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H]2c2nc(-c3ccccc3Br)no2)O1 ZINC000191312761 823670392 /nfs/dbraw/zinc/67/03/92/823670392.db2.gz VQSIZPFTHSXJAI-XJKCOSOUSA-N 1 0 392.297 4.204 20 0 GIADRO O=C(NC1CC[NH+](CC2CC2)CC1)N(CCC(F)(F)F)Cc1ccccc1 ZINC000191327585 823672375 /nfs/dbraw/zinc/67/23/75/823672375.db2.gz ZHBMKFQHVKLNRP-UHFFFAOYSA-N 1 0 383.458 4.025 20 0 GIADRO C[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccccc2NC(=O)c2cccs2)CC1 ZINC000125392464 823672793 /nfs/dbraw/zinc/67/27/93/823672793.db2.gz PRFTXCYWZSOPBV-INIZCTEOSA-N 1 0 397.544 4.089 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1)c1ccc(OC(F)F)cc1 ZINC000125400493 823673342 /nfs/dbraw/zinc/67/33/42/823673342.db2.gz DADWRIZURAHEEI-RDBSUJKOSA-N 1 0 380.410 4.344 20 0 GIADRO COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000125412477 823674286 /nfs/dbraw/zinc/67/42/86/823674286.db2.gz JQOPLPVIUNTEOA-QLFBSQMISA-N 1 0 392.446 4.213 20 0 GIADRO C[C@H](NC(=O)c1cn(-c2ccccc2)nc1-c1cccs1)C(C)(C)C[NH+](C)C ZINC000461646709 823674820 /nfs/dbraw/zinc/67/48/20/823674820.db2.gz BISSWPHWNDOWOZ-INIZCTEOSA-N 1 0 396.560 4.307 20 0 GIADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc(-c3cccs3)nc3ccccc32)C1 ZINC000063490265 823675721 /nfs/dbraw/zinc/67/57/21/823675721.db2.gz DOTYXOMENUFHRG-INIZCTEOSA-N 1 0 379.529 4.423 20 0 GIADRO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2cccc(OCc3ccccc3F)c2)N1 ZINC000063494935 823675944 /nfs/dbraw/zinc/67/59/44/823675944.db2.gz PCKYGICJQCYZCY-HXUWFJFHSA-N 1 0 387.418 4.251 20 0 GIADRO c1cc(-c2cccnc2)n(C[NH+]2CCC(c3nc4ccccc4s3)CC2)n1 ZINC000063507190 823676846 /nfs/dbraw/zinc/67/68/46/823676846.db2.gz GXNJFVQESCMEJD-UHFFFAOYSA-N 1 0 375.501 4.392 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)[C@H]2C[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000191369507 823677681 /nfs/dbraw/zinc/67/76/81/823677681.db2.gz CPJXHSXZBSZSHZ-FPOVZHCZSA-N 1 0 382.504 4.288 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)Nc2cccc([C@H]3CCC(=O)N3)c2)cc1)C(C)C ZINC000412724441 823677963 /nfs/dbraw/zinc/67/79/63/823677963.db2.gz FKAIQDUIFVXURV-OAQYLSRUSA-N 1 0 379.504 4.120 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)c1nccc2ccccc21)[NH+]1CCCCC1 ZINC000063542123 823678430 /nfs/dbraw/zinc/67/84/30/823678430.db2.gz WTDQFZNFXHJWKF-NRFANRHFSA-N 1 0 389.499 4.200 20 0 GIADRO CCC1(CC)[C@H]([NH2+]Cc2nnc(-c3ccccc3Br)o2)C[C@@H]1OC ZINC000191388647 823679179 /nfs/dbraw/zinc/67/91/79/823679179.db2.gz AEUFVUFYLYASCT-CABCVRRESA-N 1 0 394.313 4.182 20 0 GIADRO CCCOc1ccc(C[NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)cc1 ZINC000063561438 823679588 /nfs/dbraw/zinc/67/95/88/823679588.db2.gz MBWIKNQOKSPCGB-RTBURBONSA-N 1 0 396.531 4.015 20 0 GIADRO O[C@@H](C[NH2+]Cc1ccccc1OCC1CC1)COc1cccc(Cl)c1Cl ZINC000063565830 823679717 /nfs/dbraw/zinc/67/97/17/823679717.db2.gz LZZISQQLFJGUAG-INIZCTEOSA-N 1 0 396.314 4.312 20 0 GIADRO Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000461679207 823680002 /nfs/dbraw/zinc/68/00/02/823680002.db2.gz BXOZLKACKKJCST-ZDUSSCGKSA-N 1 0 379.957 4.478 20 0 GIADRO CCC1(CC)[C@H]([NH2+]Cc2nnc(-c3ccc(Br)o3)o2)[C@@H](C)[C@@H]1OC ZINC000191395040 823680274 /nfs/dbraw/zinc/68/02/74/823680274.db2.gz RPLIRLRMDLTNBH-KMUNFCNLSA-N 1 0 398.301 4.021 20 0 GIADRO COc1ccc([C@@H](O)C[NH2+][C@H](C)c2ccc(SC(F)F)c(OC)c2)cc1 ZINC000125494954 823680677 /nfs/dbraw/zinc/68/06/77/823680677.db2.gz QNGNVSMKQIIOMB-WBMJQRKESA-N 1 0 383.460 4.403 20 0 GIADRO COc1ccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(SC(F)F)c(OC)c2)cc1 ZINC000125494707 823680700 /nfs/dbraw/zinc/68/07/00/823680700.db2.gz QNGNVSMKQIIOMB-LRDDRELGSA-N 1 0 383.460 4.403 20 0 GIADRO C[C@@H]([NH2+]C[C@@]1(CCO)CCOC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000125495442 823680723 /nfs/dbraw/zinc/68/07/23/823680723.db2.gz QWBDJQOZMVZTFQ-IAQYHMDHSA-N 1 0 385.348 4.164 20 0 GIADRO C[C@H]1CCC[N@@H+]1C1CCN(C(=O)CCCc2ncc(-c3ccccc3)o2)CC1 ZINC000125531558 823682993 /nfs/dbraw/zinc/68/29/93/823682993.db2.gz POEJLNLMGTZJBE-SFHVURJKSA-N 1 0 381.520 4.140 20 0 GIADRO C[C@@H](Oc1ccccc1NC(=O)Nc1ccn(CC[NH+](C)C)n1)c1ccccc1 ZINC000191421089 823683297 /nfs/dbraw/zinc/68/32/97/823683297.db2.gz FMJMOADQVACMAK-QGZVFWFLSA-N 1 0 393.491 4.229 20 0 GIADRO Cc1cc(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c2cc(Br)ccc2n1 ZINC000461698182 823683339 /nfs/dbraw/zinc/68/33/39/823683339.db2.gz KOOMMTDCIDCCPS-ZDUSSCGKSA-N 1 0 392.341 4.012 20 0 GIADRO COC(=O)[C@H](C)c1ccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000412804363 823684124 /nfs/dbraw/zinc/68/41/24/823684124.db2.gz DLSGNZBUWFUXBX-QGZVFWFLSA-N 1 0 380.488 4.201 20 0 GIADRO CCCN(CCC[NH+](C)C)C(=O)Nc1ccc(OCC(F)(F)F)c(C)c1 ZINC000191430884 823684416 /nfs/dbraw/zinc/68/44/16/823684416.db2.gz TVEGNXKLQISPTL-UHFFFAOYSA-N 1 0 375.435 4.132 20 0 GIADRO Cc1cc(-c2cc(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c3c(C)noc3n2)c(C)o1 ZINC000461712553 823686026 /nfs/dbraw/zinc/68/60/26/823686026.db2.gz PGQLJPDUUZQRBA-OAHLLOKOSA-N 1 0 398.507 4.114 20 0 GIADRO Cc1ccc(OCc2nc(C[NH2+]C[C@H](c3cccs3)N(C)C)cs2)cc1 ZINC000125577581 823686808 /nfs/dbraw/zinc/68/68/08/823686808.db2.gz CSDZWYPFUBDWGJ-GOSISDBHSA-N 1 0 387.574 4.485 20 0 GIADRO CCCNC(=O)c1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1Cl ZINC000063656800 823687366 /nfs/dbraw/zinc/68/73/66/823687366.db2.gz SJVGFBGQSDUCGU-HXUWFJFHSA-N 1 0 399.922 4.083 20 0 GIADRO COc1cccc([C@@H]2C[C@H]2CNC(=O)c2oc3ccccc3c2C[NH+](C)C)c1 ZINC000412869915 823687614 /nfs/dbraw/zinc/68/76/14/823687614.db2.gz APJLMYBBLOLTOR-LPHOPBHVSA-N 1 0 378.472 4.037 20 0 GIADRO COc1cc(CC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)ccc1C ZINC000063679709 823688986 /nfs/dbraw/zinc/68/89/86/823688986.db2.gz MTNJYMDLTFBMAA-UHFFFAOYSA-N 1 0 380.532 4.239 20 0 GIADRO O=C(CCSCc1ccccn1)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000063679095 823688988 /nfs/dbraw/zinc/68/89/88/823688988.db2.gz RTYIAUDELLCEHQ-UHFFFAOYSA-N 1 0 397.588 4.397 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)c2sc(C(F)(F)F)nc2C)cc1 ZINC000461737966 823689523 /nfs/dbraw/zinc/68/95/23/823689523.db2.gz MQSUHKGNXZVGOM-UHFFFAOYSA-N 1 0 385.455 4.242 20 0 GIADRO CC(C)(C)OC(=O)CC[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000412897388 823689871 /nfs/dbraw/zinc/68/98/71/823689871.db2.gz JRWOVHFXQACFHE-OALUTQOASA-N 1 0 392.584 4.002 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@@H]2CCCN(c3cccc(F)c3)C2)cc(OC)c1OC ZINC000125613851 823689999 /nfs/dbraw/zinc/68/99/99/823689999.db2.gz YLLUXOLPHRGHMH-CRAIPNDOSA-N 1 0 388.483 4.171 20 0 GIADRO CCCn1ccnc1CCC[N@H+](C)Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000191485813 823690100 /nfs/dbraw/zinc/69/01/00/823690100.db2.gz HVLMEJCHZKTQBA-UHFFFAOYSA-N 1 0 398.532 4.210 20 0 GIADRO CCCN(CC[NH+](CC)CC)C(=O)c1cc(Br)cc2cccnc21 ZINC000461743195 823690617 /nfs/dbraw/zinc/69/06/17/823690617.db2.gz SISIXAURUACGNZ-UHFFFAOYSA-N 1 0 392.341 4.191 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCCN(c2cccc(F)c2)C1)c1cccc(N2CCOC2=O)c1 ZINC000125621574 823690817 /nfs/dbraw/zinc/69/08/17/823690817.db2.gz MGWOGDXGLFCVHL-VQIMIIECSA-N 1 0 383.467 4.102 20 0 GIADRO Cc1n[nH]cc1CCC[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000191493015 823691057 /nfs/dbraw/zinc/69/10/57/823691057.db2.gz IYYUEUSLCOVDSN-LJQANCHMSA-N 1 0 392.341 4.171 20 0 GIADRO Cc1c([C@H](C)[NH2+]CCCc2nc(-c3ccc(F)cc3)no2)cnn1C(C)(C)C ZINC000191495180 823691249 /nfs/dbraw/zinc/69/12/49/823691249.db2.gz MSPZGQQFSKNFQK-AWEZNQCLSA-N 1 0 385.487 4.419 20 0 GIADRO COc1ccc(C(C)(C)CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000063721799 823691550 /nfs/dbraw/zinc/69/15/50/823691550.db2.gz MFOQEFJWNZIGEH-UHFFFAOYSA-N 1 0 380.532 4.001 20 0 GIADRO COC[C@@H](Cc1ccccc1)[N@H+](C)Cc1csc(-c2ccc(O)c(OC)c2)n1 ZINC000191499088 823691910 /nfs/dbraw/zinc/69/19/10/823691910.db2.gz QUJCDHFSMBTCJW-LJQANCHMSA-N 1 0 398.528 4.214 20 0 GIADRO COc1cc(C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)ccc1OCc1ccccc1 ZINC000063726501 823692164 /nfs/dbraw/zinc/69/21/64/823692164.db2.gz JDHIUDUFOCJGAG-UHFFFAOYSA-N 1 0 396.531 4.221 20 0 GIADRO CC(C)(C)[N@@H+]1CCCN(C(=O)CCCOc2cccc(Cl)c2Cl)CC1 ZINC000063728006 823692345 /nfs/dbraw/zinc/69/23/45/823692345.db2.gz SZOIPDORTOGIEP-UHFFFAOYSA-N 1 0 387.351 4.485 20 0 GIADRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(Cn3ccccc3=O)cc1)CCS2 ZINC000191503767 823692453 /nfs/dbraw/zinc/69/24/53/823692453.db2.gz GOIAKJDLNPUVBE-NRFANRHFSA-N 1 0 392.524 4.232 20 0 GIADRO C[NH+](C)C1CCN(C(=O)c2cc3sc(Nc4ccccc4)nc3s2)CC1 ZINC000063735084 823692713 /nfs/dbraw/zinc/69/27/13/823692713.db2.gz MYMMLQRZFRACNL-UHFFFAOYSA-N 1 0 386.546 4.268 20 0 GIADRO O=C(NC[C@H]1CC[C@H](c2ccccc2)O1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000461763830 823693094 /nfs/dbraw/zinc/69/30/94/823693094.db2.gz RNYRHOHDJOPXBS-YMPZKCBVSA-N 1 0 399.579 4.204 20 0 GIADRO C[N@H+](CCC(=O)Nc1ccccc1F)Cc1cc(Br)ccc1F ZINC000063742048 823693104 /nfs/dbraw/zinc/69/31/04/823693104.db2.gz BEISCIXNNZIXIE-UHFFFAOYSA-N 1 0 383.236 4.188 20 0 GIADRO C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000063745537 823693197 /nfs/dbraw/zinc/69/31/97/823693197.db2.gz IRTATZQKZIGCNT-PGRDOPGGSA-N 1 0 397.563 4.009 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@H]2CCCN(c3cccc(F)c3)C2)cc1NC(C)=O ZINC000125652545 823693742 /nfs/dbraw/zinc/69/37/42/823693742.db2.gz ZREIYMBERFVAFF-KXBFYZLASA-N 1 0 385.483 4.112 20 0 GIADRO C[N@H+](CCCCCc1cc(-c2cccc(F)c2)no1)[C@@H](C(N)=O)c1ccccc1 ZINC000063763634 823694168 /nfs/dbraw/zinc/69/41/68/823694168.db2.gz HAXTZRROFRGJTD-JOCHJYFZSA-N 1 0 395.478 4.352 20 0 GIADRO O[C@@H](C[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1)c1ccsc1 ZINC000191517164 823694413 /nfs/dbraw/zinc/69/44/13/823694413.db2.gz UYNKARMJTWFJAA-ZWKOTPCHSA-N 1 0 396.350 4.302 20 0 GIADRO O[C@H](C[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1)c1ccsc1 ZINC000191517193 823694419 /nfs/dbraw/zinc/69/44/19/823694419.db2.gz UYNKARMJTWFJAA-QZTJIDSGSA-N 1 0 396.350 4.302 20 0 GIADRO CN(CC[N@H+](C)C1CCCCC1)C(=O)CCc1ccccc1Br ZINC000063771183 823694497 /nfs/dbraw/zinc/69/44/97/823694497.db2.gz SOILCBFYLJWFRT-UHFFFAOYSA-N 1 0 381.358 4.105 20 0 GIADRO O=C(c1ccccc1Cl)N1CCC([NH2+]CCc2ccc(F)c(F)c2)CC1 ZINC000191517603 823694590 /nfs/dbraw/zinc/69/45/90/823694590.db2.gz BNQXXGKYPSMILA-UHFFFAOYSA-N 1 0 378.850 4.055 20 0 GIADRO CCCCN(Cc1ccccc1F)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000063777384 823695149 /nfs/dbraw/zinc/69/51/49/823695149.db2.gz VFYXQFNKLSGGEJ-UHFFFAOYSA-N 1 0 398.526 4.412 20 0 GIADRO CCc1ccc(C(=O)Nc2sccc2C(=O)NCCC[N@H+](C)C(C)C)cc1 ZINC000063782485 823695477 /nfs/dbraw/zinc/69/54/77/823695477.db2.gz HDCIXKRPDDXVCD-UHFFFAOYSA-N 1 0 387.549 4.023 20 0 GIADRO C#CCOc1ccc([C@H](C)[NH2+]Cc2ccc(C)nc2-n2cc(Cl)cn2)cc1 ZINC000191527600 823695719 /nfs/dbraw/zinc/69/57/19/823695719.db2.gz JODHOZCXVHDJNW-INIZCTEOSA-N 1 0 380.879 4.092 20 0 GIADRO COc1ccc(C(C)(C)CNC(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000063785910 823695669 /nfs/dbraw/zinc/69/56/69/823695669.db2.gz QTMQXSXSBVAWTB-UHFFFAOYSA-N 1 0 395.547 4.068 20 0 GIADRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(-n3ccnc3)cc2)c(-n2cc(Cl)cn2)n1 ZINC000191529858 823695935 /nfs/dbraw/zinc/69/59/35/823695935.db2.gz GDZIFOFABMMGEW-INIZCTEOSA-N 1 0 392.894 4.266 20 0 GIADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=S)Nc1cccc(Br)c1 ZINC000063791768 823696619 /nfs/dbraw/zinc/69/66/19/823696619.db2.gz JJLCHHHLFWUNJO-HZSPNIEDSA-N 1 0 384.387 4.102 20 0 GIADRO C[NH+]1CCN(Cc2cccc(NC(=S)Nc3ccc4ccccc4c3)c2)CC1 ZINC000063794184 823697053 /nfs/dbraw/zinc/69/70/53/823697053.db2.gz UKPCFMWRDGCSDY-UHFFFAOYSA-N 1 0 390.556 4.396 20 0 GIADRO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+][C@H](C)Cc1ccc(Br)cc1 ZINC000191537287 823697177 /nfs/dbraw/zinc/69/71/77/823697177.db2.gz GGJWWURJWIQCSF-JLSDUUJJSA-N 1 0 392.341 4.106 20 0 GIADRO Brc1cccc([C@@H]([NH2+]CC[C@H]2CCCCO2)C2CCOCC2)c1 ZINC000191547119 823698252 /nfs/dbraw/zinc/69/82/52/823698252.db2.gz STWCEJGBKSLETB-MOPGFXCFSA-N 1 0 382.342 4.466 20 0 GIADRO CCOC(=O)c1csc(CC[NH2+][C@@H](C)c2cccc(OC(F)(F)F)c2)n1 ZINC000191559007 823699560 /nfs/dbraw/zinc/69/95/60/823699560.db2.gz IHOFFRIMGVJSTN-NSHDSACASA-N 1 0 388.411 4.112 20 0 GIADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)CCOc2ccc(Cl)c(Cl)c2)C1 ZINC000063822543 823699721 /nfs/dbraw/zinc/69/97/21/823699721.db2.gz SVSRDXPSDMYUOG-OAHLLOKOSA-N 1 0 387.351 4.391 20 0 GIADRO CCOC(=O)c1csc(CC[NH2+][C@H](C)c2ccc(OC)c3ccccc32)n1 ZINC000191560992 823699963 /nfs/dbraw/zinc/69/99/63/823699963.db2.gz WLNXSXMIPGLWEJ-CQSZACIVSA-N 1 0 384.501 4.375 20 0 GIADRO CC(C)[NH+]1CCC(NC(=O)Nc2ncccc2O[C@H](C)c2ccccc2)CC1 ZINC000163297143 823700217 /nfs/dbraw/zinc/70/02/17/823700217.db2.gz IUSDMTWOUSOGCA-QGZVFWFLSA-N 1 0 382.508 4.216 20 0 GIADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000063836238 823700692 /nfs/dbraw/zinc/70/06/92/823700692.db2.gz ICYHEUFQRUPEKV-LLVKDONJSA-N 1 0 382.348 4.184 20 0 GIADRO CCOC(=O)c1csc(C2CC[NH+](Cc3ccc(SC)cc3)CC2)n1 ZINC000191567246 823701102 /nfs/dbraw/zinc/70/11/02/823701102.db2.gz NTIJNNDGWQGEOV-UHFFFAOYSA-N 1 0 376.547 4.421 20 0 GIADRO Cc1c([C@@H](C)NC[C@@H]2CCC[N@@H+](C(C)C)C2)nnn1-c1cccc(Cl)c1 ZINC000125731618 823701461 /nfs/dbraw/zinc/70/14/61/823701461.db2.gz GMXUKBBNJONQOF-WBVHZDCISA-N 1 0 375.948 4.000 20 0 GIADRO CC[C@@H](CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)CC(F)(F)F ZINC000413051824 823701802 /nfs/dbraw/zinc/70/18/02/823701802.db2.gz XEMJBMJDQCDLCD-HUUCEWRRSA-N 1 0 375.435 4.084 20 0 GIADRO COc1ccc(CN(C(=O)C2CCN(c3cc[nH+]cc3C)CC2)C(C)(C)C)cc1 ZINC000574318411 823701808 /nfs/dbraw/zinc/70/18/08/823701808.db2.gz XOAKZDJZFYXMHR-UHFFFAOYSA-N 1 0 395.547 4.442 20 0 GIADRO CC[C@H]1CCCC[C@H]1[NH2+]Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000163335403 823702225 /nfs/dbraw/zinc/70/22/25/823702225.db2.gz RUWYQOZGRZBPNF-KBXCAEBGSA-N 1 0 378.563 4.272 20 0 GIADRO O=C(Nc1nc(C2CC[NH2+]CC2)cs1)c1csc(-c2ccccc2F)n1 ZINC000574321133 823702226 /nfs/dbraw/zinc/70/22/26/823702226.db2.gz GKJSYFIIMVSEQK-UHFFFAOYSA-N 1 0 388.493 4.125 20 0 GIADRO C[C@H](N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000574323504 823702935 /nfs/dbraw/zinc/70/29/35/823702935.db2.gz WRBKJLVFFCJNKW-ZOCIIQOWSA-N 1 0 382.895 4.486 20 0 GIADRO COC[C@@H](C)Oc1ccc(Cl)cc1NC1CC[NH+](Cc2cccnc2)CC1 ZINC000191576617 823703179 /nfs/dbraw/zinc/70/31/79/823703179.db2.gz OOMSQKLUVHQHKB-MRXNPFEDSA-N 1 0 389.927 4.225 20 0 GIADRO CN(C(=O)NCc1ccc(C2CC2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000191581209 823703995 /nfs/dbraw/zinc/70/39/95/823703995.db2.gz MNYGIJQYEIGCCY-UHFFFAOYSA-N 1 0 377.532 4.370 20 0 GIADRO C[C@@H](NC1CC[NH+](CCc2ccccc2)CC1)c1nc(C2CCCCC2)no1 ZINC000191580822 823704005 /nfs/dbraw/zinc/70/40/05/823704005.db2.gz FYFXNMLQXLZOTL-GOSISDBHSA-N 1 0 382.552 4.475 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2OC)cc1Cn1cccn1 ZINC000163367116 823704388 /nfs/dbraw/zinc/70/43/88/823704388.db2.gz CSGPUMQVSQMWJH-CVEARBPZSA-N 1 0 383.467 4.500 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3cccc(Cl)c3)C2)cc1NC(C)=O ZINC000163381556 823705317 /nfs/dbraw/zinc/70/53/17/823705317.db2.gz NWKPMEKOXAWGCU-KDOFPFPSSA-N 1 0 387.911 4.237 20 0 GIADRO Cc1cnc(-c2cccc(NC(=O)N[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C)c2)o1 ZINC000163393076 823706168 /nfs/dbraw/zinc/70/61/68/823706168.db2.gz REGHEMKUJPGYMF-HRAATJIYSA-N 1 0 390.487 4.292 20 0 GIADRO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000125767678 823706226 /nfs/dbraw/zinc/70/62/26/823706226.db2.gz VSCITGWVYUIXPV-RBUKOAKNSA-N 1 0 398.522 4.115 20 0 GIADRO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(OCCc2ccccc2)CC1)c1ccc(F)cc1 ZINC000125767907 823706284 /nfs/dbraw/zinc/70/62/84/823706284.db2.gz VSCITGWVYUIXPV-RTBURBONSA-N 1 0 398.522 4.115 20 0 GIADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CC3(CCOCC3)[C@@H]2c2ccccc2)C1 ZINC000413098844 823706704 /nfs/dbraw/zinc/70/67/04/823706704.db2.gz ATSQRKPYENXBBT-IRLDBZIGSA-N 1 0 399.579 4.062 20 0 GIADRO CC(C)(C)c1nnc(CN2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)o1 ZINC000125772644 823707250 /nfs/dbraw/zinc/70/72/50/823707250.db2.gz FWBKZVIBZMHPPQ-UHFFFAOYSA-N 1 0 388.515 4.255 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(NC(=O)C2CC2)cc1)c1ccccc1 ZINC000125783131 823709249 /nfs/dbraw/zinc/70/92/49/823709249.db2.gz LELVTCVELYGDJZ-OAQYLSRUSA-N 1 0 394.519 4.240 20 0 GIADRO O=C(CCSCc1ccccn1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000063911106 823710132 /nfs/dbraw/zinc/71/01/32/823710132.db2.gz NYMYLJDUSZDSGV-UHFFFAOYSA-N 1 0 383.561 4.372 20 0 GIADRO COC(=O)COc1c(C)cc(C[NH2+][C@H](C)c2cccc(OC(C)C)c2)cc1C ZINC000063914628 823710493 /nfs/dbraw/zinc/71/04/93/823710493.db2.gz KGUFCVPTVQFYNF-GOSISDBHSA-N 1 0 385.504 4.493 20 0 GIADRO O=C(Nc1cccc(OCC(F)(F)F)c1)c1cccc(C[NH+]2CCCC2)c1 ZINC000063915610 823710950 /nfs/dbraw/zinc/71/09/50/823710950.db2.gz MUJMAVUFIHLTNU-UHFFFAOYSA-N 1 0 378.394 4.476 20 0 GIADRO CC(C)(C)C[C@@H]1CCN(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)C1(C)C ZINC000413137517 823713633 /nfs/dbraw/zinc/71/36/33/823713633.db2.gz LUSBCRSWLUDMNL-IBGZPJMESA-N 1 0 386.584 4.292 20 0 GIADRO Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+]CCCOC[C@H]1CCCO1 ZINC000163474781 823713707 /nfs/dbraw/zinc/71/37/07/823713707.db2.gz IOMPVKZZDXNLIS-GOEBONIOSA-N 1 0 378.513 4.494 20 0 GIADRO CCc1c(NC(=O)N2CC[C@@H]([NH+](CC)CC)C2)cnn1-c1cccc(Cl)c1 ZINC000191616737 823713860 /nfs/dbraw/zinc/71/38/60/823713860.db2.gz NTBUZANBVMXXCA-QGZVFWFLSA-N 1 0 389.931 4.036 20 0 GIADRO CC[C@@H](C[N@H+](C)Cc1ccc(C(=O)N(C)C)[nH]1)Oc1ccc(Cl)c(Cl)c1 ZINC000191617480 823714454 /nfs/dbraw/zinc/71/44/54/823714454.db2.gz MWVSVEHJFSEZNL-AWEZNQCLSA-N 1 0 398.334 4.313 20 0 GIADRO CCOc1ccc([C@@H]2CCCN2C(=O)C[NH+]2CCC(c3ccncc3)CC2)cc1 ZINC000191619892 823716007 /nfs/dbraw/zinc/71/60/07/823716007.db2.gz OXWCDNRTNHVNNN-QHCPKHFHSA-N 1 0 393.531 4.023 20 0 GIADRO CCCN(C)c1ccc(C(=O)Nc2ccc(N(C)C3CC[NH+](C)CC3)cc2)cc1 ZINC000063938656 823716138 /nfs/dbraw/zinc/71/61/38/823716138.db2.gz NBWGNHUZSVUDRZ-UHFFFAOYSA-N 1 0 394.563 4.316 20 0 GIADRO CC[C@@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1ccc(OC(F)F)cc1 ZINC000125815013 823717822 /nfs/dbraw/zinc/71/78/22/823717822.db2.gz OVIMUZGQSRTAKL-GOSISDBHSA-N 1 0 383.460 4.074 20 0 GIADRO C[C@H](C(=O)Nc1ccc(OC(F)F)cc1OC(F)F)[NH+]1[C@H](C)CC[C@H]1C ZINC000413179455 823722443 /nfs/dbraw/zinc/72/24/43/823722443.db2.gz UUGMHBLWNIODCX-GMTAPVOTSA-N 1 0 378.366 4.089 20 0 GIADRO CC(C)C[C@]1(CO)CCC[N@@H+]1Cc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000191646137 823722924 /nfs/dbraw/zinc/72/29/24/823722924.db2.gz PRJYBTROIYXACD-FQEVSTJZSA-N 1 0 375.538 4.050 20 0 GIADRO CCS[C@@H](C)c1noc(CN(C)c2cc[nH+]c3cc(OC)c(OC)cc32)n1 ZINC000413191422 823724776 /nfs/dbraw/zinc/72/47/76/823724776.db2.gz GYSVDHXWCHZQPY-LBPRGKRZSA-N 1 0 388.493 4.086 20 0 GIADRO COc1ccc(C(C)(C)C(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC000574423417 823725714 /nfs/dbraw/zinc/72/57/14/823725714.db2.gz SRDCNNQYMMKDIJ-RUZDIDTESA-N 1 0 392.543 4.097 20 0 GIADRO CC(C)[NH+]1CCC(C(=O)Nc2ccc3[nH]c(-c4ccc(F)cc4)nc3c2)CC1 ZINC000461863772 823726669 /nfs/dbraw/zinc/72/66/69/823726669.db2.gz BRVYRULJCWQONA-UHFFFAOYSA-N 1 0 380.467 4.428 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H]1c1nc2ccccc2s1)c1ccccc1 ZINC000125844739 823726584 /nfs/dbraw/zinc/72/65/84/823726584.db2.gz VPLQOYMNLNYUAH-RTBURBONSA-N 1 0 394.544 4.446 20 0 GIADRO COC(=O)[C@@H](C)Oc1ccc(C[NH2+]Cc2ccc(C(F)(F)F)cc2C)cc1 ZINC000191670961 823728553 /nfs/dbraw/zinc/72/85/53/823728553.db2.gz VIHPMDOEUBULLF-CQSZACIVSA-N 1 0 381.394 4.244 20 0 GIADRO Fc1ccc(COc2cccc(C[NH2+]Cc3cccnc3-n3ccnc3)c2)cc1 ZINC000163626626 823729170 /nfs/dbraw/zinc/72/91/70/823729170.db2.gz GQKNQDJOECZMJI-UHFFFAOYSA-N 1 0 388.446 4.275 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1cccc(-c2ccncc2)c1 ZINC000125857688 823730253 /nfs/dbraw/zinc/73/02/53/823730253.db2.gz FTMAYTWRRUCAGL-QGZVFWFLSA-N 1 0 380.513 4.144 20 0 GIADRO C[C@H]([NH2+][C@H]1CCCc2nc(-c3ccccc3F)sc21)C(=O)NC(C)(C)C ZINC000163637281 823730222 /nfs/dbraw/zinc/73/02/22/823730222.db2.gz WMIAOHXYFDRLQD-WFASDCNBSA-N 1 0 375.513 4.219 20 0 GIADRO CC(=O)c1ccccc1C(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000461869835 823730354 /nfs/dbraw/zinc/73/03/54/823730354.db2.gz FROFMUKXZKNSOC-ROUUACIJSA-N 1 0 378.516 4.297 20 0 GIADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)(F)F)C1 ZINC000163640481 823730708 /nfs/dbraw/zinc/73/07/08/823730708.db2.gz BENJVXCLMZNICG-KBAYOESNSA-N 1 0 398.469 4.173 20 0 GIADRO CC(C)c1ccc(C(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000125858670 823730816 /nfs/dbraw/zinc/73/08/16/823730816.db2.gz NHUYATYWBWVJNJ-UHFFFAOYSA-N 1 0 395.547 4.006 20 0 GIADRO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[NH2+]C[C@@H]1CCOC1 ZINC000163642780 823731504 /nfs/dbraw/zinc/73/15/04/823731504.db2.gz GTFRQVQZZVBUTJ-KRWDZBQOSA-N 1 0 381.451 4.238 20 0 GIADRO CN1CC[NH+](CCC(C)(C)Nc2nc(C(F)F)nc3ccc(Cl)cc32)CC1 ZINC000413222461 823732189 /nfs/dbraw/zinc/73/21/89/823732189.db2.gz BWFAHXIYOHTCNM-UHFFFAOYSA-N 1 0 397.901 4.049 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000163648930 823732533 /nfs/dbraw/zinc/73/25/33/823732533.db2.gz OWBVRISDMZWVAQ-PKTZIBPZSA-N 1 0 395.547 4.248 20 0 GIADRO c1ccc(CN2CC[C@H]([NH2+]CC[C@@H]3COc4ccccc4O3)CC23CC3)cc1 ZINC000574451964 823733877 /nfs/dbraw/zinc/73/38/77/823733877.db2.gz YZYBZBWGXUKIPM-LEWJYISDSA-N 1 0 378.516 4.003 20 0 GIADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)c2ccc(Br)s2)C1 ZINC000163662502 823733910 /nfs/dbraw/zinc/73/39/10/823733910.db2.gz GUULMJZUWUVBOD-UONOGXRCSA-N 1 0 387.387 4.098 20 0 GIADRO CC[NH+]1CCN(c2ccc(N[C@@H](C)c3nc(-c4cccs4)no3)c(C)c2)CC1 ZINC000125874711 823734289 /nfs/dbraw/zinc/73/42/89/823734289.db2.gz QOFRJCJHXQGUJJ-INIZCTEOSA-N 1 0 397.548 4.422 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@@H]1CC(C)(C)c2ccccc21 ZINC000163667460 823734559 /nfs/dbraw/zinc/73/45/59/823734559.db2.gz BZUVTUGBWXIBMP-JOCHJYFZSA-N 1 0 392.547 4.362 20 0 GIADRO O=C(Nc1nc(CN2CCCCCC2)cs1)c1cccc(C[NH+]2CCCC2)c1 ZINC000064027691 823736959 /nfs/dbraw/zinc/73/69/59/823736959.db2.gz ZDAINVLZIIVSPA-UHFFFAOYSA-N 1 0 398.576 4.367 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)c1ccccc1Br ZINC000163701097 823739236 /nfs/dbraw/zinc/73/92/36/823739236.db2.gz LKFCFMSISQAMGR-MRXNPFEDSA-N 1 0 389.337 4.132 20 0 GIADRO Clc1cccc2c1OCCC[C@@H]2[NH2+]Cc1cccc(CN2CCOCC2)c1 ZINC000163699720 823739334 /nfs/dbraw/zinc/73/93/34/823739334.db2.gz FWRSMHKBCRAUAO-NRFANRHFSA-N 1 0 386.923 4.176 20 0 GIADRO CC[C@H]([NH2+]Cc1ccc(OC(F)F)c(OC)c1)c1ccc2c(c1)OCCO2 ZINC000125896279 823739751 /nfs/dbraw/zinc/73/97/51/823739751.db2.gz RRJQWKBYWAPHLF-HNNXBMFYSA-N 1 0 379.403 4.309 20 0 GIADRO O=C(Nc1ccc(-c2csnn2)cc1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000461889040 823739805 /nfs/dbraw/zinc/73/98/05/823739805.db2.gz KWNJQIPJHUNANR-FQEVSTJZSA-N 1 0 378.501 4.198 20 0 GIADRO CC(C)c1c(NC(=O)N2CCC([NH+](C)C)CC2)cnn1-c1ccc(Cl)cc1 ZINC000191699868 823739938 /nfs/dbraw/zinc/73/99/38/823739938.db2.gz VWHWRPIVLAJUHJ-UHFFFAOYSA-N 1 0 389.931 4.207 20 0 GIADRO CC1(C(=O)N[C@H]2C[C@H]2c2c(F)cccc2F)CC[NH+](Cc2ccccc2)CC1 ZINC000163708052 823740390 /nfs/dbraw/zinc/74/03/90/823740390.db2.gz PRDDHOHVLYCTME-XLIONFOSSA-N 1 0 384.470 4.239 20 0 GIADRO COc1ccc(C(C)(C)CNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000064057520 823741610 /nfs/dbraw/zinc/74/16/10/823741610.db2.gz RRDNPDPGBTUAOJ-FQEVSTJZSA-N 1 0 380.532 4.001 20 0 GIADRO CN(Cc1ccccc1)c1ccccc1NC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000064053756 823741651 /nfs/dbraw/zinc/74/16/51/823741651.db2.gz DEDAODXNGCRERL-UHFFFAOYSA-N 1 0 378.520 4.071 20 0 GIADRO CC[NH+](CC)CC(=O)Nc1cccc(NCc2cn(C)nc2-c2cccs2)c1 ZINC000574480867 823742331 /nfs/dbraw/zinc/74/23/31/823742331.db2.gz KYLPDLPXBPNGCE-UHFFFAOYSA-N 1 0 397.548 4.041 20 0 GIADRO C[C@@H](C(=O)NC[C@@H](c1ccsc1)[NH+](C)C)c1cccc(Br)c1 ZINC000461895906 823742859 /nfs/dbraw/zinc/74/28/59/823742859.db2.gz CXSJCQDGPQCOHZ-WBMJQRKESA-N 1 0 381.339 4.033 20 0 GIADRO C[NH+](C)CC1CCC(NC(=O)Nc2cccc(Cl)c2Br)CC1 ZINC000191712795 823744182 /nfs/dbraw/zinc/74/41/82/823744182.db2.gz OCAZDZMYNWZPLQ-UHFFFAOYSA-N 1 0 388.737 4.344 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCc2cnccc2C(C)(C)C)CC1 ZINC000413280144 823744226 /nfs/dbraw/zinc/74/42/26/823744226.db2.gz LKADRHPHGFFUHX-SFHVURJKSA-N 1 0 394.563 4.404 20 0 GIADRO CC[C@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)c1ccc(OC(F)F)cc1 ZINC000163746464 823744879 /nfs/dbraw/zinc/74/48/79/823744879.db2.gz XHJKTFUROQVNBS-NRFANRHFSA-N 1 0 390.474 4.361 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)c1nc(-c2ccccc2)cs1 ZINC000163751164 823744958 /nfs/dbraw/zinc/74/49/58/823744958.db2.gz LOYVYRPYCCBTGZ-GOSISDBHSA-N 1 0 393.556 4.493 20 0 GIADRO COc1ccc(C[NH2+]C[C@](C)(Cc2ccccc2)[C@H](C)O)c(Cl)c1OC ZINC000191716991 823745196 /nfs/dbraw/zinc/74/51/96/823745196.db2.gz JGHRWWJVMMDCNT-BTYIYWSLSA-N 1 0 377.912 4.077 20 0 GIADRO CC[NH+](CC)CCn1ccc2cc(NC(=O)c3cn(C)nc3C3CCC3)ccc21 ZINC000413292914 823746552 /nfs/dbraw/zinc/74/65/52/823746552.db2.gz MOLKUMPCSLJHGC-UHFFFAOYSA-N 1 0 393.535 4.236 20 0 GIADRO Cc1nc(CC2CC2)sc1C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000191722821 823746969 /nfs/dbraw/zinc/74/69/69/823746969.db2.gz VNRSBJLHASZEMB-UHFFFAOYSA-N 1 0 393.940 4.250 20 0 GIADRO CC[NH+](CC)CCOc1ccc(NC(=O)N(C)[C@@H](C)Cc2ccc(O)cc2)cc1 ZINC000125942378 823749613 /nfs/dbraw/zinc/74/96/13/823749613.db2.gz OSEXEKCKRUCFHU-SFHVURJKSA-N 1 0 399.535 4.208 20 0 GIADRO CC[NH+](CC)CCOc1ccc(NC(=O)N(C)[C@H](C)Cc2ccc(O)cc2)cc1 ZINC000125942658 823750283 /nfs/dbraw/zinc/75/02/83/823750283.db2.gz OSEXEKCKRUCFHU-GOSISDBHSA-N 1 0 399.535 4.208 20 0 GIADRO C[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)CC(F)(F)F ZINC000413319464 823751521 /nfs/dbraw/zinc/75/15/21/823751521.db2.gz DDKLKHDJXQLOMN-YDHLFZDLSA-N 1 0 377.476 4.019 20 0 GIADRO C[C@H](CNC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)CC(F)(F)F ZINC000413319458 823751609 /nfs/dbraw/zinc/75/16/09/823751609.db2.gz DDKLKHDJXQLOMN-GZBFAFLISA-N 1 0 377.476 4.019 20 0 GIADRO Cc1cc(C(=O)CN2CC[NH+](CC3CCCCC3)CC2)c(C)n1CC(F)(F)F ZINC000064129538 823752404 /nfs/dbraw/zinc/75/24/04/823752404.db2.gz MBATVSKXCJSSOR-UHFFFAOYSA-N 1 0 399.501 4.048 20 0 GIADRO Cc1nc(C)c(CC[NH2+]C[C@@H](O)COC(c2ccccc2)c2ccccc2)s1 ZINC000574511887 823752847 /nfs/dbraw/zinc/75/28/47/823752847.db2.gz AGGBYCAWYVEKLC-OAQYLSRUSA-N 1 0 396.556 4.059 20 0 GIADRO CC[C@H](CNC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)CC(F)(F)F ZINC000413325005 823752915 /nfs/dbraw/zinc/75/29/15/823752915.db2.gz JVOFIXHZOUOXNA-LZWOXQAQSA-N 1 0 391.503 4.409 20 0 GIADRO C[C@@H](C(=O)Nc1cc(Cl)ccc1F)N1CC[NH+](CC2CCCCC2)CC1 ZINC000064130146 823752890 /nfs/dbraw/zinc/75/28/90/823752890.db2.gz OLOCOBWGIOOWHU-HNNXBMFYSA-N 1 0 381.923 4.004 20 0 GIADRO COc1ccc2c(c1)c(C(=O)N(C)CC1CC[NH+](C)CC1)c(C)n2C1CCCC1 ZINC000163874781 823755610 /nfs/dbraw/zinc/75/56/10/823755610.db2.gz GTKCPUMUGBXRKU-UHFFFAOYSA-N 1 0 397.563 4.487 20 0 GIADRO CCc1nc2ccc(Cl)cn2c1C(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000461921556 823756728 /nfs/dbraw/zinc/75/67/28/823756728.db2.gz NPCFTXFQFMHRNB-INMHGKMJSA-N 1 0 388.943 4.028 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@@H](C)C(C)(C)c2ccccc2)ccc1S(C)(=O)=O ZINC000163893994 823758020 /nfs/dbraw/zinc/75/80/20/823758020.db2.gz MYHMLWZGJGSJPT-CVEARBPZSA-N 1 0 375.534 4.116 20 0 GIADRO C[C@H]1CCCN(c2cc(C(=O)N3CCC[N@H+](CC4CCCCC4)CC3)ccn2)C1 ZINC000461924435 823758040 /nfs/dbraw/zinc/75/80/40/823758040.db2.gz VFBBOZHPQNYSLL-FQEVSTJZSA-N 1 0 398.595 4.046 20 0 GIADRO C[C@H](CC(=O)NC1CC[NH+](CC2CC2)CC1)c1ccc(F)c(Br)c1 ZINC000461924006 823758059 /nfs/dbraw/zinc/75/80/59/823758059.db2.gz SBQYRNGBDJWUQQ-CYBMUJFWSA-N 1 0 397.332 4.072 20 0 GIADRO CC[C@H](CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)CC(F)(F)F ZINC000413354029 823758256 /nfs/dbraw/zinc/75/82/56/823758256.db2.gz QAHDFPXGZNIGKB-SOLBZPMBSA-N 1 0 385.474 4.175 20 0 GIADRO O=C(NC1CC[NH+](C2CCCC2)CC1)N1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000413355762 823758549 /nfs/dbraw/zinc/75/85/49/823758549.db2.gz SNNYCONZAHKLQI-JOCHJYFZSA-N 1 0 381.564 4.373 20 0 GIADRO C[C@H](C(=O)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1)c1cccc(Br)c1 ZINC000461925092 823758550 /nfs/dbraw/zinc/75/85/50/823758550.db2.gz ZWDAABDVCBVGSH-CYJAXWMASA-N 1 0 393.369 4.416 20 0 GIADRO O=C(Nc1cc(F)ccc1OCC1CC1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000191766053 823760398 /nfs/dbraw/zinc/76/03/98/823760398.db2.gz AMTSJEQPGJLNFS-JXFKEZNVSA-N 1 0 387.499 4.095 20 0 GIADRO COCCOCc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(OC)cc2OC)cc1 ZINC000574556854 823764962 /nfs/dbraw/zinc/76/49/62/823764962.db2.gz HOUAHBAVIGRLDX-QFIPXVFZSA-N 1 0 385.504 4.204 20 0 GIADRO CC(C)[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000461939420 823766141 /nfs/dbraw/zinc/76/61/41/823766141.db2.gz WRYQZRSMELEULD-HXUWFJFHSA-N 1 0 378.944 4.220 20 0 GIADRO O=C(Nc1nnc(-c2cc3ccccc3o2)s1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000191784479 823767417 /nfs/dbraw/zinc/76/74/17/823767417.db2.gz WBJDOARYPUVJAL-HNNXBMFYSA-N 1 0 397.504 4.043 20 0 GIADRO O=C(Nc1cc2c(cc1Cl)CCC2=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000191785715 823768057 /nfs/dbraw/zinc/76/80/57/823768057.db2.gz BKKIHAGAOICPAS-KRWDZBQOSA-N 1 0 382.891 4.320 20 0 GIADRO Cc1ccc([C@@H]2CCCN2C(=O)CC[NH+]2CCN(c3ccccc3)CC2)cc1C ZINC000461955133 823770708 /nfs/dbraw/zinc/77/07/08/823770708.db2.gz FJEBGFYLACKMSO-DEOSSOPVSA-N 1 0 391.559 4.179 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(NC(=O)C2CCCC2)c1)c1ccc2c(c1)OCCO2 ZINC000126040982 823772780 /nfs/dbraw/zinc/77/27/80/823772780.db2.gz NFPMWWBGCLOTBZ-MRXNPFEDSA-N 1 0 380.488 4.437 20 0 GIADRO Cc1ccc(C[NH2+][C@@H]2CCCN(c3ccccc3F)C2)c(-c2cnn(C)c2)c1 ZINC000574587282 823772828 /nfs/dbraw/zinc/77/28/28/823772828.db2.gz XWCSHCDCTNNEQX-HXUWFJFHSA-N 1 0 378.495 4.293 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)NCCOc2cccc3ccccc32)c1 ZINC000064225150 823773549 /nfs/dbraw/zinc/77/35/49/823773549.db2.gz WBFSJCGKMMVJQI-UHFFFAOYSA-N 1 0 391.515 4.170 20 0 GIADRO C[C@H]1CN(Cc2cccc(C[NH2+][C@@H](c3ncc[nH]3)C3CCCCC3)c2)CCO1 ZINC000574591414 823774036 /nfs/dbraw/zinc/77/40/36/823774036.db2.gz TXSBZTWRALDCER-PGRDOPGGSA-N 1 0 382.552 4.042 20 0 GIADRO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)c1 ZINC000191806092 823775784 /nfs/dbraw/zinc/77/57/84/823775784.db2.gz NWLQJHYJIACZLN-WBVHZDCISA-N 1 0 391.334 4.470 20 0 GIADRO Cc1cc([C@@](C)(O)C[NH2+][C@H](C)CC(=O)Nc2ccccc2C(F)(F)F)c(C)o1 ZINC000164098291 823777202 /nfs/dbraw/zinc/77/72/02/823777202.db2.gz PQMPVCHBGBSOKC-BLVKFPJESA-N 1 0 398.425 4.130 20 0 GIADRO Cc1nc(-c2ccccc2)oc1C(=O)N(CCCc1ccccc1)CC[NH+](C)C ZINC000461978947 823779932 /nfs/dbraw/zinc/77/99/32/823779932.db2.gz VPLYWKAOWKBXRB-UHFFFAOYSA-N 1 0 391.515 4.287 20 0 GIADRO FC(F)Oc1cc2c(cc1C[NH2+]C[C@H]1CC[C@@H](c3ccccc3)O1)OCO2 ZINC000574608898 823780079 /nfs/dbraw/zinc/78/00/79/823780079.db2.gz IXLPPOGCCGIEMG-CVEARBPZSA-N 1 0 377.387 4.027 20 0 GIADRO COc1cccc(C2(CNC(=O)N3CCC[C@@H](C[N@@H+]4CCCC[C@H]4C)C3)CC2)c1 ZINC000461978418 823780112 /nfs/dbraw/zinc/78/01/12/823780112.db2.gz RQABKKMMQIOZMO-UXHICEINSA-N 1 0 399.579 4.023 20 0 GIADRO CCCN(CC[NH+](CC)CC)C(=O)Nc1cc(OC)ccc1Br ZINC000461979531 823780674 /nfs/dbraw/zinc/78/06/74/823780674.db2.gz ZJZPMJLIVMTRRB-UHFFFAOYSA-N 1 0 386.334 4.043 20 0 GIADRO O=C(c1cnc(Cc2ccccc2)s1)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000126080179 823782250 /nfs/dbraw/zinc/78/22/50/823782250.db2.gz UQTARJVMSDTNKT-IBGZPJMESA-N 1 0 389.524 4.359 20 0 GIADRO COc1ccccc1[C@H](CN[C@H](c1ncc[nH]1)c1ccccc1)[NH+]1CCCCC1 ZINC000126091730 823784915 /nfs/dbraw/zinc/78/49/15/823784915.db2.gz KZPGRUYDURWZHF-GMAHTHKFSA-N 1 0 390.531 4.325 20 0 GIADRO CC(C)c1scnc1C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000574626617 823785124 /nfs/dbraw/zinc/78/51/24/823785124.db2.gz IJQFVCTUIZFGLZ-AWEZNQCLSA-N 1 0 385.455 4.318 20 0 GIADRO Cc1ccc(NC(=O)[C@H]2CC(C)(C)Oc3ccccc32)c(OCC[NH+](C)C)c1 ZINC000413490057 823786898 /nfs/dbraw/zinc/78/68/98/823786898.db2.gz HYTKNQIIDYOUOP-SFHVURJKSA-N 1 0 382.504 4.219 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(NS(C)(=O)=O)c2)cc1Cl ZINC000164239477 823788826 /nfs/dbraw/zinc/78/88/26/823788826.db2.gz UDPDIYHMCXYHEE-STQMWFEESA-N 1 0 382.913 4.132 20 0 GIADRO CC[C@H](Cc1ccccc1Br)C(=O)N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000413506650 823789185 /nfs/dbraw/zinc/78/91/85/823789185.db2.gz VXPZEVBKSFNIOX-LZLYRXPVSA-N 1 0 395.385 4.349 20 0 GIADRO C[C@@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1)c1cnc2ccsc2c1 ZINC000191831517 823789342 /nfs/dbraw/zinc/78/93/42/823789342.db2.gz AIPSZPHHYKPHHR-YLJYHZDGSA-N 1 0 381.545 4.238 20 0 GIADRO CC(=O)c1ccccc1NC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000064316694 823790411 /nfs/dbraw/zinc/79/04/11/823790411.db2.gz QEEGJQRMAUVDEM-FQEVSTJZSA-N 1 0 390.405 4.282 20 0 GIADRO c1ccc(C[N@@H+]2CCCO[C@@H](CN[C@@H](c3ccccc3)c3ccccn3)C2)cc1 ZINC000191838158 823792410 /nfs/dbraw/zinc/79/24/10/823792410.db2.gz ZRAODYANSUVECW-ZCYQVOJMSA-N 1 0 387.527 4.052 20 0 GIADRO CCCCN(C(=O)c1ccc(-c2n[nH]c(C)n2)cc1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000462007976 823792939 /nfs/dbraw/zinc/79/29/39/823792939.db2.gz SQHNPHWNMDGHPB-UHFFFAOYSA-N 1 0 397.567 4.332 20 0 GIADRO Fc1ccc(-c2nn(-c3ccccc3)cc2C[NH+]2CCC3(CC2)OCCO3)cc1 ZINC000126120589 823793149 /nfs/dbraw/zinc/79/31/49/823793149.db2.gz NYPIYFXSJOOEKO-UHFFFAOYSA-N 1 0 393.462 4.017 20 0 GIADRO CC[C@H](NC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000413540759 823794661 /nfs/dbraw/zinc/79/46/61/823794661.db2.gz WEWJQCPEXCNMEM-QFIPXVFZSA-N 1 0 381.520 4.110 20 0 GIADRO CCN(C(=O)c1ccc(Nc2cc[nH+]cc2)cc1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000462013879 823794640 /nfs/dbraw/zinc/79/46/40/823794640.db2.gz GMUUDJNWOSEJKL-SFHVURJKSA-N 1 0 389.499 4.349 20 0 GIADRO CC(C)[C@H](CNC(=O)c1c(Cl)nccc1C(F)(F)F)[NH+]1CCC(C)CC1 ZINC000126131467 823795769 /nfs/dbraw/zinc/79/57/69/823795769.db2.gz KXWNAPOZXLYVKN-AWEZNQCLSA-N 1 0 391.865 4.240 20 0 GIADRO C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]Cc1nccn1CCCc1ccccc1 ZINC000164321177 823796319 /nfs/dbraw/zinc/79/63/19/823796319.db2.gz FMBMYGNGZYMFHQ-GOSISDBHSA-N 1 0 394.494 4.162 20 0 GIADRO CC[C@@H](C(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1)[NH+](CC)CC ZINC000462019189 823796540 /nfs/dbraw/zinc/79/65/40/823796540.db2.gz XEHBFGDKCCQIOQ-DLBZAZTESA-N 1 0 391.314 4.153 20 0 GIADRO C[C@H]([NH2+][C@@H]1COc2ccccc2C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000164341183 823796894 /nfs/dbraw/zinc/79/68/94/823796894.db2.gz DDOMZMJQGDUXHK-LPHOPBHVSA-N 1 0 385.529 4.057 20 0 GIADRO Cc1nc(-c2ccccc2)oc1C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000462021800 823797796 /nfs/dbraw/zinc/79/77/96/823797796.db2.gz BWZQAVDVWMOGQG-HXUWFJFHSA-N 1 0 375.472 4.217 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)[C@@H]2CC(C)(C)Oc3ccccc32)CC1 ZINC000413573271 823798934 /nfs/dbraw/zinc/79/89/34/823798934.db2.gz RVLDLWYOPUVLBK-JOCHJYFZSA-N 1 0 392.543 4.454 20 0 GIADRO Clc1cccc(Cl)c1OCCN1CC[NH+](CCc2cccs2)CC1 ZINC000064352252 823798878 /nfs/dbraw/zinc/79/88/78/823798878.db2.gz PMKUYTZNRZAUSD-UHFFFAOYSA-N 1 0 385.360 4.294 20 0 GIADRO CCC[NH+]1CCC(CNC(=O)C[C@H](C)c2ccc(F)c(Br)c2)CC1 ZINC000462027301 823800648 /nfs/dbraw/zinc/80/06/48/823800648.db2.gz RNBCYHQYIJCRJI-AWEZNQCLSA-N 1 0 399.348 4.320 20 0 GIADRO COCCOc1ccc([C@@H](C)[NH2+]CCc2c[nH]c3c2cccc3C)cc1OC ZINC000164418770 823802428 /nfs/dbraw/zinc/80/24/28/823802428.db2.gz AWPCQRFONXQPEK-QGZVFWFLSA-N 1 0 382.504 4.403 20 0 GIADRO CC[NH+](CC)[C@@H](C(=O)NCc1ccc(C)cn1)c1cccc(C(F)(F)F)c1 ZINC000574693644 823802499 /nfs/dbraw/zinc/80/24/99/823802499.db2.gz ISOLQVKJSLTQGV-GOSISDBHSA-N 1 0 379.426 4.108 20 0 GIADRO CCC[NH+]1CCC(NCc2ccc(-n3nc(C)cc3C)cc2C(F)(F)F)CC1 ZINC000462030482 823802751 /nfs/dbraw/zinc/80/27/51/823802751.db2.gz BLRFDZXSAWABCU-UHFFFAOYSA-N 1 0 394.485 4.472 20 0 GIADRO C[N@H+](CCCNC(=O)N1CCC(OC2CCCCC2)CC1)Cc1ccccc1 ZINC000126167883 823804162 /nfs/dbraw/zinc/80/41/62/823804162.db2.gz PNHJRQNTGOPSLJ-UHFFFAOYSA-N 1 0 387.568 4.032 20 0 GIADRO CCc1ccccc1NC(=O)C[C@H](C)Nc1cccc(N2CC[NH+](CC)CC2)c1 ZINC000191886189 823804248 /nfs/dbraw/zinc/80/42/48/823804248.db2.gz BNCMHZZPRSNXOT-IBGZPJMESA-N 1 0 394.563 4.220 20 0 GIADRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)c1csc(C2CCCCC2)n1 ZINC000413619444 823804494 /nfs/dbraw/zinc/80/44/94/823804494.db2.gz BHMMGUHVRYJCIL-UHFFFAOYSA-N 1 0 387.549 4.100 20 0 GIADRO NC(=O)c1ccc(-c2nc(C[NH2+][C@H]3CCC[C@H]3Cc3ccccc3)cs2)cc1 ZINC000191890409 823805105 /nfs/dbraw/zinc/80/51/05/823805105.db2.gz KRACADNAEMDXTQ-FPOVZHCZSA-N 1 0 391.540 4.410 20 0 GIADRO Cc1cccc2c1OCC[C@H]2NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000191891363 823805170 /nfs/dbraw/zinc/80/51/70/823805170.db2.gz KLRHDKUYOLPSBE-QKNQBKEWSA-N 1 0 385.552 4.115 20 0 GIADRO COc1ccc(-c2noc(C[NH2+][C@H]3CCC[C@H]3Cc3ccccc3)n2)c(OC)c1 ZINC000191891087 823805219 /nfs/dbraw/zinc/80/52/19/823805219.db2.gz MBEMOOGNXGJEHE-PXNSSMCTSA-N 1 0 393.487 4.255 20 0 GIADRO O=C(Nc1c2c(ccc1Cl)OCC2)NC1CC[NH+](CC2CCCC2)CC1 ZINC000574708922 823805099 /nfs/dbraw/zinc/80/50/99/823805099.db2.gz DIUYXOJZOMRNNB-UHFFFAOYSA-N 1 0 377.916 4.051 20 0 GIADRO NC(=O)c1ccc(-c2nc(C[NH2+][C@H]3CCC[C@@H]3Cc3ccccc3)cs2)cc1 ZINC000191890421 823805384 /nfs/dbraw/zinc/80/53/84/823805384.db2.gz KRACADNAEMDXTQ-CTNGQTDRSA-N 1 0 391.540 4.410 20 0 GIADRO COc1ccc(CNc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)cc1OC ZINC000126175167 823805494 /nfs/dbraw/zinc/80/54/94/823805494.db2.gz CJRIEFAWAFMTLO-UHFFFAOYSA-N 1 0 397.519 4.130 20 0 GIADRO C[C@H](CC(=O)N1CCC([NH+]2CCCC2)CC1)c1ccc(F)c(Br)c1 ZINC000462036890 823806038 /nfs/dbraw/zinc/80/60/38/823806038.db2.gz HNFRHKVEBNWGMQ-CQSZACIVSA-N 1 0 397.332 4.169 20 0 GIADRO CCS(=O)(=O)c1ccc(N2CCC([NH2+]C(CC(C)C)CC(C)C)CC2)cc1 ZINC000462038269 823806530 /nfs/dbraw/zinc/80/65/30/823806530.db2.gz LZDLXOQQCCKARK-UHFFFAOYSA-N 1 0 394.625 4.499 20 0 GIADRO CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000164516685 823806380 /nfs/dbraw/zinc/80/63/80/823806380.db2.gz ZZWOWJWWXRCGNC-DLBZAZTESA-N 1 0 389.540 4.126 20 0 GIADRO CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000164516558 823806739 /nfs/dbraw/zinc/80/67/39/823806739.db2.gz ZZWOWJWWXRCGNC-IAGOWNOFSA-N 1 0 389.540 4.126 20 0 GIADRO CC[C@H](c1cccc(OC)c1)N(C)C(=O)Nc1cc(C)nn1C1CC[NH+](C)CC1 ZINC000574721524 823809018 /nfs/dbraw/zinc/80/90/18/823809018.db2.gz MNMLWFHBWWTHFD-HXUWFJFHSA-N 1 0 399.539 4.082 20 0 GIADRO O=C(N[C@H](c1c(Cl)cccc1Cl)C1CC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000462044480 823809655 /nfs/dbraw/zinc/80/96/55/823809655.db2.gz APAFPTKDZGLSRJ-KDOFPFPSSA-N 1 0 380.319 4.100 20 0 GIADRO C[C@]12CCC[N@@H+]1C[C@@H](c1noc(-c3cc(Oc4ccccc4)ccc3O)n1)OC2 ZINC000574724227 823810023 /nfs/dbraw/zinc/81/00/23/823810023.db2.gz BPXCPJXQEWSWET-SIKLNZKXSA-N 1 0 393.443 4.160 20 0 GIADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000574726407 823810430 /nfs/dbraw/zinc/81/04/30/823810430.db2.gz MMPQUYNLVILVQA-JXFKEZNVSA-N 1 0 392.469 4.009 20 0 GIADRO C[C@@H](C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)c1cccc(Br)c1 ZINC000462050586 823812714 /nfs/dbraw/zinc/81/27/14/823812714.db2.gz RHJDHZDEVQDGAL-CRAIPNDOSA-N 1 0 379.342 4.030 20 0 GIADRO COc1cc2c(cc1C[NH2+]Cc1cccc(NC(=O)CC(C)C)c1)O[C@H](C)C2 ZINC000064411682 823813215 /nfs/dbraw/zinc/81/32/15/823813215.db2.gz CUYAXUVXZOYBMZ-MRXNPFEDSA-N 1 0 382.504 4.293 20 0 GIADRO COc1ccccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000064412324 823813638 /nfs/dbraw/zinc/81/36/38/823813638.db2.gz ZIUOPSHDTVAASD-UHFFFAOYSA-N 1 0 395.425 4.310 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1sc(CC2CC2)nc1C ZINC000191928931 823813961 /nfs/dbraw/zinc/81/39/61/823813961.db2.gz FNMKEVGWNXIWLH-FQEVSTJZSA-N 1 0 397.588 4.388 20 0 GIADRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1cc(-c2ccccc2)ns1 ZINC000462053731 823814279 /nfs/dbraw/zinc/81/42/79/823814279.db2.gz UOHYZNSJPLEUNE-FQEVSTJZSA-N 1 0 377.513 4.377 20 0 GIADRO COc1cccc(-c2nc(C[NH2+][C@@H]3CCO[C@H]3c3ccccc3)cs2)c1OC ZINC000191933569 823815360 /nfs/dbraw/zinc/81/53/60/823815360.db2.gz KFFHMHUVTZHCAR-QUCCMNQESA-N 1 0 396.512 4.447 20 0 GIADRO CN(C(=O)N[C@H]1CCc2sc(Cl)cc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000462061303 823816776 /nfs/dbraw/zinc/81/67/76/823816776.db2.gz QLUHNDCOEXGOQE-RDJZCZTQSA-N 1 0 389.952 4.305 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000126238119 823818494 /nfs/dbraw/zinc/81/84/94/823818494.db2.gz AQWFEAWPJBLOGU-ROUUACIJSA-N 1 0 397.567 4.369 20 0 GIADRO Cc1csc(SCc2ccc(C(=O)N(C)[C@H]3CC[N@@H+](C)C[C@@H]3C)cc2)n1 ZINC000126246047 823820223 /nfs/dbraw/zinc/82/02/23/823820223.db2.gz BYVMIRFXXSOGLL-KSSFIOAISA-N 1 0 389.590 4.156 20 0 GIADRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)COC2CCCC2)CC1 ZINC000064448329 823820497 /nfs/dbraw/zinc/82/04/97/823820497.db2.gz UEGPTIBNOHAPNW-UHFFFAOYSA-N 1 0 398.469 4.087 20 0 GIADRO C[C@H](C(=O)NCc1ccc(F)c(C[NH+](C)C)c1)c1cccc(Br)c1 ZINC000462076508 823820722 /nfs/dbraw/zinc/82/07/22/823820722.db2.gz QTQJFBGVHWDELC-ZDUSSCGKSA-N 1 0 393.300 4.070 20 0 GIADRO Cc1ccccc1-c1cc(NC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)n(C)n1 ZINC000462079529 823821462 /nfs/dbraw/zinc/82/14/62/823821462.db2.gz FKPIGQLQTYDTAP-QGZVFWFLSA-N 1 0 383.540 4.029 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCc3ccccc3OC3CCC3)ccc21 ZINC000574769838 823821756 /nfs/dbraw/zinc/82/17/56/823821756.db2.gz WKQRHKGNVLEVOJ-OAQYLSRUSA-N 1 0 379.504 4.489 20 0 GIADRO CC1(C(=O)N2CCO[C@@](C)(c3ccccc3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000164862677 823823057 /nfs/dbraw/zinc/82/30/57/823823057.db2.gz CHIRFGBPOGICJU-RUZDIDTESA-N 1 0 392.543 4.063 20 0 GIADRO C[NH+](C)C1(CNc2ncccc2C(=O)N2CCc3ccccc32)CCCCCC1 ZINC000462087613 823824404 /nfs/dbraw/zinc/82/44/04/823824404.db2.gz ABWCEWFLBKXTQE-UHFFFAOYSA-N 1 0 392.547 4.351 20 0 GIADRO CC(C)(C)OC1CC[NH+](C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000164923566 823825637 /nfs/dbraw/zinc/82/56/37/823825637.db2.gz RCRUYNJGMPXHBX-AWEZNQCLSA-N 1 0 376.324 4.013 20 0 GIADRO CCC[C@@]1(CO)CC[N@H+](Cc2c(C)nn(Cc3ccc(Cl)cc3)c2C)C1 ZINC000574788418 823826464 /nfs/dbraw/zinc/82/64/64/823826464.db2.gz BAMSERCRNGDSDP-OAQYLSRUSA-N 1 0 375.944 4.186 20 0 GIADRO CC[C@H](CNC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)CC(F)(F)F ZINC000413735880 823828103 /nfs/dbraw/zinc/82/81/03/823828103.db2.gz IZUVIEQJKBJLMZ-FXAWDEMLSA-N 1 0 397.485 4.273 20 0 GIADRO CC[N@H+](CC(=O)Nc1cccc(-c2csc(C)n2)c1)[C@@H]1CCOC(C)(C)C1 ZINC000574798560 823829966 /nfs/dbraw/zinc/82/99/66/823829966.db2.gz RCJSOAPEZUIYDI-GOSISDBHSA-N 1 0 387.549 4.337 20 0 GIADRO C[C@@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1cccc(Br)c1 ZINC000462110952 823830658 /nfs/dbraw/zinc/83/06/58/823830658.db2.gz HQCALMAQTGMNFR-CRAIPNDOSA-N 1 0 379.342 4.030 20 0 GIADRO C[NH+](C)CCN(C(=O)[C@@H]1C[C@H]1c1cccc(Br)c1)c1ccccc1 ZINC000064497980 823831375 /nfs/dbraw/zinc/83/13/75/823831375.db2.gz SBDDUWKYECSZJZ-RBUKOAKNSA-N 1 0 387.321 4.147 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]Cc1ccc(OC(C)C)nc1 ZINC000126292810 823832114 /nfs/dbraw/zinc/83/21/14/823832114.db2.gz SJXUTNPRBDVYLU-CQSZACIVSA-N 1 0 391.899 4.038 20 0 GIADRO C[C@H](CNC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)CC(F)(F)F ZINC000413748140 823832378 /nfs/dbraw/zinc/83/23/78/823832378.db2.gz MTBOCBAQZNPEQH-PXNSSMCTSA-N 1 0 397.485 4.273 20 0 GIADRO Cc1nc2c(s1)[C@H]([NH2+][C@@H]1CCCN(c3ccccc3Cl)C1=O)CCC2 ZINC000165065185 823832563 /nfs/dbraw/zinc/83/25/63/823832563.db2.gz GMHQGOBQCREWBO-HZPDHXFCSA-N 1 0 375.925 4.268 20 0 GIADRO C[C@H](C[C@H](O)c1ccc(F)cc1)NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000165062275 823833000 /nfs/dbraw/zinc/83/30/00/823833000.db2.gz DEYPJZVEIWLTIM-GCJKJVERSA-N 1 0 398.522 4.056 20 0 GIADRO FC(F)(F)COCCC[NH+]1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000064518332 823833709 /nfs/dbraw/zinc/83/37/09/823833709.db2.gz ZEXQUGFPWPUSOX-UHFFFAOYSA-N 1 0 385.257 4.080 20 0 GIADRO C[C@@H]([NH2+]CC1(CO)CC(c2ccccc2)C1)c1cncc(Br)c1 ZINC000574824466 823835142 /nfs/dbraw/zinc/83/51/42/823835142.db2.gz WGRZNAMBYBRAJH-ZCGYKAAXSA-N 1 0 375.310 4.051 20 0 GIADRO CCOc1ccc2cc(C(=O)NC[C@@H]3CCC[N@H+](Cc4cccs4)C3)[nH]c2c1 ZINC000064521275 823835405 /nfs/dbraw/zinc/83/54/05/823835405.db2.gz JUPHREPRYVPUTP-INIZCTEOSA-N 1 0 397.544 4.270 20 0 GIADRO CC(C)COc1cccc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000064522208 823835829 /nfs/dbraw/zinc/83/58/29/823835829.db2.gz UEKXLMPVDHDFCM-SFHVURJKSA-N 1 0 386.561 4.425 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000126313026 823837135 /nfs/dbraw/zinc/83/71/35/823837135.db2.gz OAYZHJJGJLBXGJ-UKILVPOCSA-N 1 0 389.543 4.051 20 0 GIADRO O=C(C[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1)Nc1cccc2c1N=S=N2 ZINC000192031144 823837676 /nfs/dbraw/zinc/83/76/76/823837676.db2.gz XNZDLBQEEOMXKV-YJBOKZPZSA-N 1 0 388.880 4.125 20 0 GIADRO Cc1cc(Cl)ccc1NC(=O)C[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000192031666 823838423 /nfs/dbraw/zinc/83/84/23/823838423.db2.gz WOKVBAMQCZRPKL-MJGOQNOKSA-N 1 0 379.287 4.360 20 0 GIADRO CN(Cc1ccc(Cl)s1)C(=O)C[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000192034026 823838985 /nfs/dbraw/zinc/83/89/85/823838985.db2.gz XXDQHELHYRAPSK-QAPCUYQASA-N 1 0 399.343 4.133 20 0 GIADRO COc1ccc2c(c1F)CC[C@H]2[NH2+]C1CCN(C(=O)CCc2ccccc2)CC1 ZINC000574839695 823839070 /nfs/dbraw/zinc/83/90/70/823839070.db2.gz LOCQOECWPCICTL-OAQYLSRUSA-N 1 0 396.506 4.035 20 0 GIADRO Cc1nccn1-c1ccc(C[NH2+][C@H]2CCc3cc(Br)ccc32)cn1 ZINC000126321192 823839156 /nfs/dbraw/zinc/83/91/56/823839156.db2.gz ODBPGXJZLOTKRY-SFHVURJKSA-N 1 0 383.293 4.115 20 0 GIADRO CCOC(=O)c1csc(C2CC[NH+](C[C@H](C)c3ccc(OC)cc3)CC2)n1 ZINC000192036132 823839270 /nfs/dbraw/zinc/83/92/70/823839270.db2.gz GOZBZWHULBZOPK-HNNXBMFYSA-N 1 0 388.533 4.312 20 0 GIADRO CC(C)CNC(=O)c1cccc(C[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)cc2)c1 ZINC000192036327 823839350 /nfs/dbraw/zinc/83/93/50/823839350.db2.gz CJTOLJSGKAZNGP-LEWJYISDSA-N 1 0 386.923 4.346 20 0 GIADRO CC(C)OCc1cccc(NC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000064543862 823840397 /nfs/dbraw/zinc/84/03/97/823840397.db2.gz QLWCVKAYCVBQFG-QFIPXVFZSA-N 1 0 381.520 4.398 20 0 GIADRO Cc1cc(NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)nc(-c2ccncc2)n1 ZINC000064550812 823842317 /nfs/dbraw/zinc/84/23/17/823842317.db2.gz MZPGEFGJQVSGPJ-KRWDZBQOSA-N 1 0 379.533 4.233 20 0 GIADRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)c3ccc(C4=CCCC4)cc3)nc2)C1 ZINC000574850842 823842607 /nfs/dbraw/zinc/84/26/07/823842607.db2.gz OLNSKHMCRIVBDW-OAQYLSRUSA-N 1 0 376.504 4.042 20 0 GIADRO Cc1csc(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)c1Br ZINC000192045707 823842832 /nfs/dbraw/zinc/84/28/32/823842832.db2.gz FPMNHHXNSPLVBI-CYBMUJFWSA-N 1 0 381.339 4.069 20 0 GIADRO C[C@@H](CC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1ccc(F)c(Br)c1 ZINC000462147610 823844840 /nfs/dbraw/zinc/84/48/40/823844840.db2.gz VUUNMOFOXMEFLF-LSDHHAIUSA-N 1 0 397.332 4.026 20 0 GIADRO Cc1noc(-c2ccccc2)c1NC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000126346190 823845166 /nfs/dbraw/zinc/84/51/66/823845166.db2.gz MXJMPEDLOKAMTJ-CRAIPNDOSA-N 1 0 382.508 4.425 20 0 GIADRO COC(=O)[C@@H](C)C[N@H+](Cc1coc(-c2ccc(C(F)(F)F)cc2)n1)C1CC1 ZINC000165361231 823845650 /nfs/dbraw/zinc/84/56/50/823845650.db2.gz BQAHHUXNLKLQRH-LBPRGKRZSA-N 1 0 382.382 4.134 20 0 GIADRO CCCN(CC[NH+](CC)CC)C(=O)N[C@H]1CCCc2cn(C3CCCC3)nc21 ZINC000462154334 823846527 /nfs/dbraw/zinc/84/65/27/823846527.db2.gz ZYQUDWIHTIZCAH-FQEVSTJZSA-N 1 0 389.588 4.139 20 0 GIADRO COC(=O)c1cccc(NC2CC[NH+](Cc3cc4ccc(F)cc4[nH]3)CC2)c1 ZINC000574866723 823847122 /nfs/dbraw/zinc/84/71/22/823847122.db2.gz ZNIJDRQGYFWZRP-UHFFFAOYSA-N 1 0 381.451 4.170 20 0 GIADRO O=C(N[C@H]1CCCc2cn(C3CCCC3)nc21)N1CC[NH+](C2CCCCC2)CC1 ZINC000462156558 823847503 /nfs/dbraw/zinc/84/75/03/823847503.db2.gz MJYTWJFSOPYAND-NRFANRHFSA-N 1 0 399.583 4.036 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCc2c1cc(Br)cc2F)c1ccc(NC(N)=O)cc1 ZINC000165405300 823847575 /nfs/dbraw/zinc/84/75/75/823847575.db2.gz SVDMCMFHBMUXIC-BMLIUANNSA-N 1 0 392.272 4.417 20 0 GIADRO C[C@H](CCC[NH3+])NC(=O)c1ccc(Oc2cccc(Br)c2)cc1 ZINC000574876971 823849284 /nfs/dbraw/zinc/84/92/84/823849284.db2.gz MYFKARINBKKZEV-CYBMUJFWSA-N 1 0 377.282 4.099 20 0 GIADRO CC[C@H](C[NH2+][C@H](C)CC(=O)Nc1cccnc1Cl)Oc1cccc(F)c1 ZINC000165517331 823851912 /nfs/dbraw/zinc/85/19/12/823851912.db2.gz SMVJHUBOXUOXMK-UKRRQHHQSA-N 1 0 379.863 4.038 20 0 GIADRO COc1ccccc1[C@@H](C)[NH2+]Cc1ccc(OCCOc2ccccc2)nc1 ZINC000165533712 823852382 /nfs/dbraw/zinc/85/23/82/823852382.db2.gz OCXODNTWILIFNF-GOSISDBHSA-N 1 0 378.472 4.399 20 0 GIADRO O=C(CC[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)Nc1ccc(F)cc1 ZINC000192077189 823852776 /nfs/dbraw/zinc/85/27/76/823852776.db2.gz BCZHTQHPEPEBJG-HKUYNNGSSA-N 1 0 380.822 4.067 20 0 GIADRO Cc1ccccc1NC(=O)CC[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000192079834 823852902 /nfs/dbraw/zinc/85/29/02/823852902.db2.gz ASBWRTKVMCDKFG-AZUAARDMSA-N 1 0 376.859 4.236 20 0 GIADRO CC[C@H]([NH2+]CC(=O)N1CCC[C@@H]1c1ccc(OC)c(OC)c1)c1ccc(C)cc1 ZINC000126385005 823853455 /nfs/dbraw/zinc/85/34/55/823853455.db2.gz UTQBVZKQZBSBPF-LEWJYISDSA-N 1 0 396.531 4.417 20 0 GIADRO C[C@H](C(=O)NC1CC[NH+](C2CCCC2)CC1)c1cccc(Br)c1 ZINC000462175862 823854650 /nfs/dbraw/zinc/85/46/50/823854650.db2.gz KWESIXINWMWFDP-AWEZNQCLSA-N 1 0 379.342 4.076 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Nc1ccc(OC(C)C)cc1 ZINC000126391101 823855037 /nfs/dbraw/zinc/85/50/37/823855037.db2.gz IQIWUONTWNEMOM-UHFFFAOYSA-N 1 0 382.508 4.178 20 0 GIADRO Cc1ccc([C@H](C)NC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)s1 ZINC000064643900 823856087 /nfs/dbraw/zinc/85/60/87/823856087.db2.gz XSHWIZJXYNWKIG-HOTGVXAUSA-N 1 0 377.579 4.390 20 0 GIADRO COc1ccc(C[N@H+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)[C@@H](C)C2CC2)cc1 ZINC000064641548 823856122 /nfs/dbraw/zinc/85/61/22/823856122.db2.gz HQJYQYFJJNRCRN-YJBOKZPZSA-N 1 0 398.469 4.097 20 0 GIADRO C[C@@H](CCc1ccccc1)NC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000064644495 823856789 /nfs/dbraw/zinc/85/67/89/823856789.db2.gz LEERQTXXBGUZTK-AZUAARDMSA-N 1 0 385.577 4.281 20 0 GIADRO CC[C@@H]([NH2+][C@H](C)c1cnn(C(C)C)c1)c1ccccc1OCC(=O)N1CCCC1 ZINC000165663083 823857358 /nfs/dbraw/zinc/85/73/58/823857358.db2.gz FRCDUTKIIJJBRM-WIYYLYMNSA-N 1 0 398.551 4.267 20 0 GIADRO COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCCc3ccccc32)c(OC)c1 ZINC000126401150 823857562 /nfs/dbraw/zinc/85/75/62/823857562.db2.gz SYLORZMFQFNUEZ-FUHWJXTLSA-N 1 0 382.504 4.131 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)c1ccc(OC)cc1F)c1ccccc1OCC(=O)N(C)C ZINC000165673805 823857711 /nfs/dbraw/zinc/85/77/11/823857711.db2.gz JECBAIVVSKGPCV-YWZLYKJASA-N 1 0 388.483 4.103 20 0 GIADRO O=C(Nc1ccccc1-c1nc2ccccc2s1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000574904650 823857913 /nfs/dbraw/zinc/85/79/13/823857913.db2.gz VSRCIHMTLVYFNB-GASCZTMLSA-N 1 0 378.501 4.322 20 0 GIADRO C[C@@H](NC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)c1cccc(F)c1F ZINC000165691837 823859546 /nfs/dbraw/zinc/85/95/46/823859546.db2.gz PAUNSKHLDWODIK-SJORKVTESA-N 1 0 379.495 4.179 20 0 GIADRO CC[C@@H]([NH2+][C@H]1CCCc2nc(C)sc21)c1ccccc1OCC(=O)N(C)C ZINC000165698119 823859988 /nfs/dbraw/zinc/85/99/88/823859988.db2.gz RBDUJMTZLNQRMY-AEFFLSMTSA-N 1 0 387.549 4.037 20 0 GIADRO CSc1ccc(NC(=O)C[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000192103165 823860414 /nfs/dbraw/zinc/86/04/14/823860414.db2.gz GLAXCOQUAIAKEX-IEBWSBKVSA-N 1 0 394.899 4.259 20 0 GIADRO COc1cc(C[NH2+][C@@H]2CCc3cc(F)ccc32)cc(OC)c1OCC(F)F ZINC000574920904 823860738 /nfs/dbraw/zinc/86/07/38/823860738.db2.gz CYJRJMLJUVLRHS-MRXNPFEDSA-N 1 0 381.394 4.264 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C[C@H](C)c2ccc(F)c(Br)c2)C1 ZINC000462188614 823860971 /nfs/dbraw/zinc/86/09/71/823860971.db2.gz ODWVYDRNBMLVIF-GJZGRUSLSA-N 1 0 399.348 4.272 20 0 GIADRO Cc1ccc2c(CCC(=O)N[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C)c[nH]c2c1 ZINC000462189087 823861483 /nfs/dbraw/zinc/86/14/83/823861483.db2.gz PAZSWJMUERRTGY-JPYJTQIMSA-N 1 0 375.516 4.046 20 0 GIADRO COCCC[C@@H]([NH2+]C[C@@H]1CSCCS1)c1ccc(Br)cc1 ZINC000165741336 823861798 /nfs/dbraw/zinc/86/17/98/823861798.db2.gz CTSYEUJWSRYQHG-HZPDHXFCSA-N 1 0 390.412 4.355 20 0 GIADRO COC(=O)c1csc(NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)c1C ZINC000165766400 823862854 /nfs/dbraw/zinc/86/28/54/823862854.db2.gz DJPJYWTVMBQUPY-UHFFFAOYSA-N 1 0 386.517 4.084 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(OCc3ccc(F)cc3)c2)[C@@H]1n1cccn1 ZINC000574930291 823863127 /nfs/dbraw/zinc/86/31/27/823863127.db2.gz QNDBTQHJRDBHDH-ZRBLBEILSA-N 1 0 395.478 4.110 20 0 GIADRO Cc1cccc(C(=O)Nc2ccc(OCC[NH+](C)C)cc2F)c1Br ZINC000413902601 823863196 /nfs/dbraw/zinc/86/31/96/823863196.db2.gz PBKRDYRPPDUSCU-UHFFFAOYSA-N 1 0 395.272 4.089 20 0 GIADRO CC(C)(C)Oc1ccc(CNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000165843819 823864373 /nfs/dbraw/zinc/86/43/73/823864373.db2.gz UXUKCCMPYLVBKW-UHFFFAOYSA-N 1 0 395.547 4.177 20 0 GIADRO CC[C@@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F)CC(F)(F)F ZINC000413909440 823864831 /nfs/dbraw/zinc/86/48/31/823864831.db2.gz MWKIPWLCFPAATC-CYBMUJFWSA-N 1 0 395.416 4.017 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccccc1COC(C)(C)C ZINC000462196766 823865147 /nfs/dbraw/zinc/86/51/47/823865147.db2.gz QXSLLSSRKCFEIU-XMSQKQJNSA-N 1 0 380.532 4.252 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)Cn2ccc3ccc(Cl)cc32)CC1 ZINC000064696014 823866166 /nfs/dbraw/zinc/86/61/66/823866166.db2.gz PLHSEAXVIPJILA-UHFFFAOYSA-N 1 0 396.922 4.075 20 0 GIADRO COc1cccc(C[NH2+][C@@H]2CCc3c2cc(Br)cc3F)c1OC ZINC000165947460 823866476 /nfs/dbraw/zinc/86/64/76/823866476.db2.gz XTLXEODVQONGDQ-MRXNPFEDSA-N 1 0 380.257 4.383 20 0 GIADRO CC(C)Oc1ccc(CC[C@@H](C)[NH2+]C2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000166013199 823868377 /nfs/dbraw/zinc/86/83/77/823868377.db2.gz DMBMKEXWIMLXQH-GOSISDBHSA-N 1 0 384.520 4.282 20 0 GIADRO Cc1noc(C)c1CCC[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000166206229 823872303 /nfs/dbraw/zinc/87/23/03/823872303.db2.gz NAGZYBQGQNEGNC-NSHDSACASA-N 1 0 384.261 4.179 20 0 GIADRO COCCC[C@H]([NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1)c1ccc(Br)cc1 ZINC000166269677 823873790 /nfs/dbraw/zinc/87/37/90/823873790.db2.gz AQNCVPWNCOEFGT-BJZITVGISA-N 1 0 381.358 4.132 20 0 GIADRO CC(C)C(=O)N1CCC([NH2+][C@@H](Cc2cccnc2)c2ccc(Cl)cc2)CC1 ZINC000574965401 823874890 /nfs/dbraw/zinc/87/48/90/823874890.db2.gz MUVHIJUMYCTCHY-NRFANRHFSA-N 1 0 385.939 4.255 20 0 GIADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000064735318 823875210 /nfs/dbraw/zinc/87/52/10/823875210.db2.gz UDLGUIPYHIUFNW-RVKKMQEKSA-N 1 0 386.927 4.208 20 0 GIADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2csc(-c3ccccc3F)n2)C1 ZINC000064736127 823875804 /nfs/dbraw/zinc/87/58/04/823875804.db2.gz BZGDGJZBWLFDIG-XHSDSOJGSA-N 1 0 387.524 4.427 20 0 GIADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)CCc2ccc(-c3ccccc3)[nH]2)C1 ZINC000064736008 823875954 /nfs/dbraw/zinc/87/59/54/823875954.db2.gz DLKDXBOAXPUVHD-XQBPLPMBSA-N 1 0 379.548 4.478 20 0 GIADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2cc(-c3ccccc3Cl)on2)C1 ZINC000064735672 823875972 /nfs/dbraw/zinc/87/59/72/823875972.db2.gz GGDUKPOPPKKPSJ-XHSDSOJGSA-N 1 0 387.911 4.472 20 0 GIADRO O=c1ccccn1Cc1ccc(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)cc1 ZINC000166358338 823876518 /nfs/dbraw/zinc/87/65/18/823876518.db2.gz BGHAKOSZIFGZFE-UPVQGACJSA-N 1 0 388.511 4.154 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)[C@H](C)Oc2cccc(Cl)c2Cl)CC1 ZINC000064738969 823877043 /nfs/dbraw/zinc/87/70/43/823877043.db2.gz UGKMCDPEWXVCFS-AWEZNQCLSA-N 1 0 387.351 4.340 20 0 GIADRO CC(C)(COc1cc(Cl)cc(Cl)c1)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000574973496 823877490 /nfs/dbraw/zinc/87/74/90/823877490.db2.gz WHEVISPKVASAFW-INIZCTEOSA-N 1 0 385.335 4.095 20 0 GIADRO COc1cc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)c(Cl)c(OC)c1 ZINC000413958891 823877944 /nfs/dbraw/zinc/87/79/44/823877944.db2.gz PFTOIRCVFDVLJH-UHFFFAOYSA-N 1 0 388.895 4.208 20 0 GIADRO Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+][C@H]1CCCN(c2cnn(C)c2)C1 ZINC000166486043 823878529 /nfs/dbraw/zinc/87/85/29/823878529.db2.gz WADIKMKTOLUZDX-HOCLYGCPSA-N 1 0 399.539 4.311 20 0 GIADRO CC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cccc(N3CCCC3)c2)cc1 ZINC000126479230 823878958 /nfs/dbraw/zinc/87/89/58/823878958.db2.gz NCAVXHVWSZGOFG-IRXDYDNUSA-N 1 0 379.504 4.167 20 0 GIADRO CCc1nc2ccccc2n1C1CC[NH+]([C@@H]2CCc3ccccc3NC2=O)CC1 ZINC000192144913 823878973 /nfs/dbraw/zinc/87/89/73/823878973.db2.gz PNDJKRRGJAMCEJ-JOCHJYFZSA-N 1 0 388.515 4.189 20 0 GIADRO C[C@@H]([NH2+][C@H]1c2ccccc2C[C@@H]1O)c1ccc(OC(F)F)cc1OC(F)F ZINC000166635134 823880641 /nfs/dbraw/zinc/88/06/41/823880641.db2.gz FVZGIBQQAFSVJM-PHEKWQANSA-N 1 0 385.357 4.198 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H](C)CC(=O)Nc2cccnc2Cl)cc1 ZINC000166664386 823880675 /nfs/dbraw/zinc/88/06/75/823880675.db2.gz CMAVNFFMHIOZTL-GJZGRUSLSA-N 1 0 397.910 4.297 20 0 GIADRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)NC12CC3CC(CC(C3)C1)C2 ZINC000064754723 823881061 /nfs/dbraw/zinc/88/10/61/823881061.db2.gz LFHBFQRTWAIHAX-RMJOCGACSA-N 1 0 387.593 4.228 20 0 GIADRO Cc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1Oc1ccncc1 ZINC000126488317 823881906 /nfs/dbraw/zinc/88/19/06/823881906.db2.gz CAEZEXCDTJPFDK-UGKGYDQZSA-N 1 0 391.515 4.271 20 0 GIADRO Cc1ccc(CNC2CC[NH+](C3CCCCC3)CC2)c(OC[C@@H]2CCOC2)c1 ZINC000167163408 823887784 /nfs/dbraw/zinc/88/77/84/823887784.db2.gz BNTWJTPVHNWFKB-HXUWFJFHSA-N 1 0 386.580 4.297 20 0 GIADRO Cc1ccc(C[NH2+][C@H](C)c2ccc3c(c2)OCCCO3)c(OC[C@@H]2CCOC2)c1 ZINC000167186811 823888155 /nfs/dbraw/zinc/88/81/55/823888155.db2.gz AUGRYXYPAIRAMT-RTBURBONSA-N 1 0 397.515 4.422 20 0 GIADRO CCCc1c(C(=O)NC[C@H]([NH2+][C@@H](C)CC)c2ccco2)cnn1C1CCCC1 ZINC000575016242 823888084 /nfs/dbraw/zinc/88/80/84/823888084.db2.gz JPUHAXTUSAJHGC-LPHOPBHVSA-N 1 0 386.540 4.403 20 0 GIADRO CC[C@H]([NH2+]Cc1ccc(C)cc1OC[C@@H]1CCOC1)c1ccc2c(c1)OCCO2 ZINC000167179791 823888256 /nfs/dbraw/zinc/88/82/56/823888256.db2.gz OIHDYYRRXYNNKA-NQIIRXRSSA-N 1 0 397.515 4.422 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1ccc(-c2ccccc2F)o1 ZINC000126514741 823888444 /nfs/dbraw/zinc/88/84/44/823888444.db2.gz SCTKZCJQQSRGLJ-UHFFFAOYSA-N 1 0 393.462 4.469 20 0 GIADRO C[N@H+](CCNC(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F)Cc1ccccc1 ZINC000064804667 823888817 /nfs/dbraw/zinc/88/88/17/823888817.db2.gz SVDFQYPCKFUWBX-ROUUACIJSA-N 1 0 376.422 4.057 20 0 GIADRO COCCCOc1cc(C)ccc1C[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000167242147 823889277 /nfs/dbraw/zinc/88/92/77/823889277.db2.gz RBQWZJQEMDSFAU-IBGZPJMESA-N 1 0 396.531 4.388 20 0 GIADRO C[C@@H](Cc1ccsc1)[NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1 ZINC000167304092 823890075 /nfs/dbraw/zinc/89/00/75/823890075.db2.gz VFWMIPVWGOHVDC-INIZCTEOSA-N 1 0 380.517 4.186 20 0 GIADRO O=C(CCC(F)(F)F)N1CCC[C@@H]([NH2+]Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000575020967 823890139 /nfs/dbraw/zinc/89/01/39/823890139.db2.gz KIEJGCZZYOPMSN-CYBMUJFWSA-N 1 0 398.347 4.008 20 0 GIADRO Cc1c(NC(=O)NCc2cccc(C[NH+](C)C)c2)cnn1-c1ccc(Cl)cc1 ZINC000575022605 823890731 /nfs/dbraw/zinc/89/07/31/823890731.db2.gz BLPBVFMKIXCXBZ-UHFFFAOYSA-N 1 0 397.910 4.217 20 0 GIADRO Cc1ccccc1C[C@H](C)[NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1 ZINC000167388910 823891694 /nfs/dbraw/zinc/89/16/94/823891694.db2.gz YRPXKFCMWBZUBK-IBGZPJMESA-N 1 0 388.515 4.433 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]Cc1ccc(-n2ccnc2)cc1C ZINC000192178471 823893565 /nfs/dbraw/zinc/89/35/65/823893565.db2.gz IVMCTASIOCCUQY-CQSZACIVSA-N 1 0 391.441 4.407 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2N2CCC(O)CC2)c1 ZINC000167757872 823894717 /nfs/dbraw/zinc/89/47/17/823894717.db2.gz LNJFCGQXSPISRS-HOTGVXAUSA-N 1 0 399.510 4.157 20 0 GIADRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1ccnc(N2CCC[C@H](C)C2)c1 ZINC000462245844 823894921 /nfs/dbraw/zinc/89/49/21/823894921.db2.gz JQTUDWCBYNGQDA-SFHVURJKSA-N 1 0 392.547 4.474 20 0 GIADRO C[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1cccc(Br)c1 ZINC000462246952 823895705 /nfs/dbraw/zinc/89/57/05/823895705.db2.gz NARGQCYTXXBRKW-ZSZQSSIHSA-N 1 0 391.353 4.028 20 0 GIADRO CC(C)C(=O)Nc1cccc(NC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)c1 ZINC000126549458 823896187 /nfs/dbraw/zinc/89/61/87/823896187.db2.gz MDDVGPNAJQFTOC-NRFANRHFSA-N 1 0 394.519 4.240 20 0 GIADRO CC(C)n1ncc2ccc(NC(=O)N[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C)cc21 ZINC000462247971 823896663 /nfs/dbraw/zinc/89/66/63/823896663.db2.gz PXBKVXXRLGJDCQ-UTKZUKDTSA-N 1 0 391.519 4.259 20 0 GIADRO CCN(C(=O)c1cc(NC(C)=O)ccc1F)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000126551782 823896863 /nfs/dbraw/zinc/89/68/63/823896863.db2.gz RQVHMGRNCXOLOO-OXJNMPFZSA-N 1 0 397.494 4.082 20 0 GIADRO C[C@H](NC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1)c1ccc(OCc2cccnc2)cc1 ZINC000575043137 823898084 /nfs/dbraw/zinc/89/80/84/823898084.db2.gz JWVAIGFAEJBQEJ-BSRJHKFKSA-N 1 0 389.499 4.174 20 0 GIADRO CCC(=O)Nc1ccc(C)c(NC(=O)c2ccccc2CC2CC[NH2+]CC2)c1 ZINC000575049050 823899759 /nfs/dbraw/zinc/89/97/59/823899759.db2.gz NGOPCMPYQSJQDJ-UHFFFAOYSA-N 1 0 379.504 4.138 20 0 GIADRO Cc1cc(C)c2[nH+]cc(C(=O)[O-])c(N3CC[NH+]([C@H](C)c4ccsc4)CC3)c2c1 ZINC000575049203 823899778 /nfs/dbraw/zinc/89/97/78/823899778.db2.gz WPFWUAMZWMMJQS-MRXNPFEDSA-N 1 0 395.528 4.495 20 0 GIADRO COC(=O)c1cnc([C@@H](C)[NH2+][C@@H](C)CCc2ccc(Br)cc2)s1 ZINC000414067524 823900321 /nfs/dbraw/zinc/90/03/21/823900321.db2.gz IYMNDMXKTOEHQR-NWDGAFQWSA-N 1 0 397.338 4.364 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@@H]2CCN(c3ncccc3F)C2)ccc1SC(F)F ZINC000168216084 823901351 /nfs/dbraw/zinc/90/13/51/823901351.db2.gz BBAPPSZNVOXCGR-TZMCWYRMSA-N 1 0 397.466 4.474 20 0 GIADRO CC(C)c1nn(Cc2ccccc2)c(Cl)c1C[NH2+]CC[S@@](=O)C(C)(C)C ZINC000168348814 823902367 /nfs/dbraw/zinc/90/23/67/823902367.db2.gz VFZNZKCTSOQJOS-SANMLTNESA-N 1 0 396.000 4.345 20 0 GIADRO C[C@H]([NH2+]C1CCN(c2cccs2)CC1)c1ccc(OCc2nccn2C)cc1 ZINC000168422266 823902528 /nfs/dbraw/zinc/90/25/28/823902528.db2.gz RKNHTTGFMSTKFX-KRWDZBQOSA-N 1 0 396.560 4.380 20 0 GIADRO COc1ccc([C@H](C)[NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)c(C)c1 ZINC000414074657 823902716 /nfs/dbraw/zinc/90/27/16/823902716.db2.gz OFONYBFXDPPEQA-KRWDZBQOSA-N 1 0 378.472 4.377 20 0 GIADRO COCCOc1ccc([C@H](C)[NH2+][C@@H](C)c2cc(OC)c(OC)cc2F)cc1 ZINC000168557021 823903792 /nfs/dbraw/zinc/90/37/92/823903792.db2.gz TZTHNAQXIOFARF-GJZGRUSLSA-N 1 0 377.456 4.280 20 0 GIADRO COC(=O)c1cnc([C@H](C)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)s1 ZINC000414078342 823903822 /nfs/dbraw/zinc/90/38/22/823903822.db2.gz RWKFXCRHGHOBTR-HOTGVXAUSA-N 1 0 387.549 4.012 20 0 GIADRO COC(=O)c1cnc([C@H](C)[NH2+][C@H](C)CCc2ccc(OC(C)C)cc2)s1 ZINC000414079940 823904005 /nfs/dbraw/zinc/90/40/05/823904005.db2.gz UAOYOQSNHYSVCM-CABCVRRESA-N 1 0 376.522 4.389 20 0 GIADRO C[C@@H]([NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1)c1cc2n(n1)CCC2 ZINC000414080466 823904387 /nfs/dbraw/zinc/90/43/87/823904387.db2.gz UQBVHXBDKVVEEU-OAHLLOKOSA-N 1 0 392.469 4.163 20 0 GIADRO Cc1cc2occ(CC(=O)N(C)CC3CCN(c4cc[nH+]cc4)CC3)c2cc1C ZINC000126582802 823904920 /nfs/dbraw/zinc/90/49/20/823904920.db2.gz HFEWVPMYZMVQJZ-UHFFFAOYSA-N 1 0 391.515 4.362 20 0 GIADRO COC(=O)c1cnc([C@@H](C)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)s1 ZINC000414084571 823905478 /nfs/dbraw/zinc/90/54/78/823905478.db2.gz XWKHVHHODBEYCH-JKSUJKDBSA-N 1 0 387.549 4.155 20 0 GIADRO CCOc1ccc(/C=C(\C#N)C(=O)NC[C@@H](c2ccsc2)[NH+](CC)CC)cc1 ZINC000064879170 823905557 /nfs/dbraw/zinc/90/55/57/823905557.db2.gz MCXBXPURCUJKQD-YMFQVDJJSA-N 1 0 397.544 4.253 20 0 GIADRO Cc1ccc(-n2cnnc2)c(C(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)c1 ZINC000575075301 823905719 /nfs/dbraw/zinc/90/57/19/823905719.db2.gz WOIYMBDKFUSGTI-UHFFFAOYSA-N 1 0 389.503 4.204 20 0 GIADRO CC(C)(C)O[C@@H]1C[C@@H]([NH2+]C2CCN(C(=O)CCc3ccccc3)CC2)C1(C)C ZINC000414086329 823906138 /nfs/dbraw/zinc/90/61/38/823906138.db2.gz ZHQYGFZKFPLMGO-NHCUHLMSSA-N 1 0 386.580 4.182 20 0 GIADRO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cc(Cl)ccc1Cl ZINC000192216447 823906380 /nfs/dbraw/zinc/90/63/80/823906380.db2.gz LTHAKQMRMBTAIO-KRWDZBQOSA-N 1 0 393.314 4.014 20 0 GIADRO COc1cc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)ccc1OCC(F)(F)F ZINC000168926671 823907421 /nfs/dbraw/zinc/90/74/21/823907421.db2.gz BKSATWVJESAGPI-OLMNPRSZSA-N 1 0 385.426 4.074 20 0 GIADRO C[C@H](CC[NH2+][C@@H](c1ccccc1)c1cccc(Br)c1)[S@](C)=O ZINC000414099837 823908970 /nfs/dbraw/zinc/90/89/70/823908970.db2.gz VBWIDVLPMUHNLT-GHNFSYLKSA-N 1 0 380.351 4.285 20 0 GIADRO COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)cn1 ZINC000414099643 823909192 /nfs/dbraw/zinc/90/91/92/823909192.db2.gz KSVLVYUOKNUJKB-XXHMAFKTSA-N 1 0 391.918 4.096 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]CC(C)(C)c2cccs2)c1 ZINC000169175421 823909186 /nfs/dbraw/zinc/90/91/86/823909186.db2.gz VBPZCQGPAPKTSK-AWEZNQCLSA-N 1 0 376.522 4.050 20 0 GIADRO O=S(=O)(Cc1ccccc1C[NH2+]Cc1ccc2ccccc2c1)N1CCCC1 ZINC000169213847 823909575 /nfs/dbraw/zinc/90/95/75/823909575.db2.gz QJTHCVMQECCSBR-UHFFFAOYSA-N 1 0 394.540 4.055 20 0 GIADRO CCN1CC[C@H]([NH2+][C@H](C)c2cc3n(n2)CCC3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000414100277 823909895 /nfs/dbraw/zinc/90/98/95/823909895.db2.gz KZNKKJQGCIFDOR-MJWYBRSISA-N 1 0 376.907 4.108 20 0 GIADRO CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H](C)CCCO ZINC000126607583 823909982 /nfs/dbraw/zinc/90/99/82/823909982.db2.gz KDUYSEJNHGKJDS-CQSZACIVSA-N 1 0 380.330 4.009 20 0 GIADRO CCC(=O)N1CC[C@@H]([NH2+][C@@H](c2ccccc2)c2cccc(Br)c2)C1 ZINC000414103333 823910258 /nfs/dbraw/zinc/91/02/58/823910258.db2.gz UJEKVJUEGMCCCI-QUCCMNQESA-N 1 0 387.321 4.139 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H](Cc2ccc(F)cc2)C1)c1ccco1 ZINC000575094213 823910545 /nfs/dbraw/zinc/91/05/45/823910545.db2.gz UGXBJEAWVJOVBY-UYAOXDASSA-N 1 0 387.499 4.076 20 0 GIADRO Cc1noc(CCC[NH2+][C@H](c2ccccc2)c2cccc(Br)c2)n1 ZINC000414106967 823911287 /nfs/dbraw/zinc/91/12/87/823911287.db2.gz YCWCEOOEYFYYGE-LJQANCHMSA-N 1 0 386.293 4.452 20 0 GIADRO O=C1C[C@H]([N@@H+]2CC[C@H](Cc3ccccc3)C2)C(=O)N1c1cccc2ccccc21 ZINC000462285612 823912783 /nfs/dbraw/zinc/91/27/83/823912783.db2.gz BXQMDEWHPIHMSO-XXBNENTESA-N 1 0 384.479 4.036 20 0 GIADRO CCOc1ccc(F)c(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1F ZINC000462290051 823913843 /nfs/dbraw/zinc/91/38/43/823913843.db2.gz KRKXXGVJMWCFJE-YOEHRIQHSA-N 1 0 389.446 4.006 20 0 GIADRO C[C@H]([NH2+]CCc1cn(C)cn1)c1ccc(Br)cc1C(F)(F)F ZINC000414120566 823914469 /nfs/dbraw/zinc/91/44/69/823914469.db2.gz CTKADXZSJCJJCB-JTQLQIEISA-N 1 0 376.220 4.095 20 0 GIADRO C[C@@H]([NH2+]C[C@H](C)N1CCc2sccc2C1)c1ccc(Br)cn1 ZINC000575107199 823914612 /nfs/dbraw/zinc/91/46/12/823914612.db2.gz MXSDNEUGKBNWMW-QWHCGFSZSA-N 1 0 380.355 4.003 20 0 GIADRO C[S@@](=O)C1(C[NH2+][C@@H](c2ccccc2)c2cccc(Br)c2)CC1 ZINC000414124360 823914902 /nfs/dbraw/zinc/91/49/02/823914902.db2.gz CEGRKJYBVAUICT-HTAPYJJXSA-N 1 0 378.335 4.039 20 0 GIADRO Cc1ccc(C[NH2+][C@H]2CC[C@@H](c3cccc(Cl)c3)C2)cc1S(C)(=O)=O ZINC000414127226 823915502 /nfs/dbraw/zinc/91/55/02/823915502.db2.gz FZDQDHTYWRHJEI-MJGOQNOKSA-N 1 0 377.937 4.478 20 0 GIADRO C[C@@H]([NH2+]CCc1nnc2n1CCCCC2)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000126633495 823916038 /nfs/dbraw/zinc/91/60/38/823916038.db2.gz BWBLVBJNMMNFSI-KGLIPLIRSA-N 1 0 397.350 4.299 20 0 GIADRO Cc1csc([C@H](C)C[NH2+]C[C@H](O)COC(c2ccccc2)c2ccccc2)n1 ZINC000575117816 823916747 /nfs/dbraw/zinc/91/67/47/823916747.db2.gz IEUFDZPBQDXGJU-UTKZUKDTSA-N 1 0 396.556 4.312 20 0 GIADRO Cc1[nH]c2ccc(CNC(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)cc2c1C ZINC000064959435 823917949 /nfs/dbraw/zinc/91/79/49/823917949.db2.gz ZELVTBIFOZPBIE-FQEVSTJZSA-N 1 0 380.492 4.014 20 0 GIADRO COCc1nc(C[NH2+][C@@H](C)Cc2ccc(OC)nc2)c(-c2ccccc2)s1 ZINC000414150112 823919097 /nfs/dbraw/zinc/91/90/97/823919097.db2.gz OYTPQYIIJOQFPW-HNNXBMFYSA-N 1 0 383.517 4.081 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)Cc2ccccc2)C1)c1csc(-c2ccccc2)n1 ZINC000414155999 823919571 /nfs/dbraw/zinc/91/95/71/823919571.db2.gz UILOEGUKNAOYOH-FXAWDEMLSA-N 1 0 391.540 4.304 20 0 GIADRO Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]CCc1nnc2n1CCCCC2 ZINC000126652105 823919983 /nfs/dbraw/zinc/91/99/83/823919983.db2.gz WZFAZEQJAYSGMC-MRXNPFEDSA-N 1 0 395.576 4.254 20 0 GIADRO CC1CC[NH+](Cc2ccc(NC(=O)c3ccc4c(c3)CCCC(=O)N4)cc2)CC1 ZINC000170584921 823920945 /nfs/dbraw/zinc/92/09/45/823920945.db2.gz CYDQTWRAABZCBK-UHFFFAOYSA-N 1 0 391.515 4.446 20 0 GIADRO Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]CCc1nnc2n1CCCCC2 ZINC000126665689 823922218 /nfs/dbraw/zinc/92/22/18/823922218.db2.gz IOFZVHYPUOVNAV-LJQANCHMSA-N 1 0 380.561 4.491 20 0 GIADRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)Cc3coc4ccccc34)cc2)C1 ZINC000575145327 823922741 /nfs/dbraw/zinc/92/27/41/823922741.db2.gz JWEBPQWCGKBWFW-QGZVFWFLSA-N 1 0 378.472 4.335 20 0 GIADRO COc1ccc([C@H](CO)C[NH2+][C@@H](C)c2ccc(Oc3ccccc3)cn2)cc1 ZINC000414176060 823923367 /nfs/dbraw/zinc/92/33/67/823923367.db2.gz IWXSULPKPSBBJT-HKUYNNGSSA-N 1 0 378.472 4.309 20 0 GIADRO COc1ccc(Br)cc1C[NH2+]CCCc1ccc(OC)c(OC)c1 ZINC000065014480 823924174 /nfs/dbraw/zinc/92/41/74/823924174.db2.gz QNZJBFLMXGHSPY-UHFFFAOYSA-N 1 0 394.309 4.197 20 0 GIADRO COc1ccc([C@@H](CO)C[NH2+][C@@H](C)c2sc(Cc3ccccc3)nc2C)cc1 ZINC000414184768 823924231 /nfs/dbraw/zinc/92/42/31/823924231.db2.gz OHJWXQOUUWTNBH-OXJNMPFZSA-N 1 0 396.556 4.478 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccn(C)n1 ZINC000414192759 823925463 /nfs/dbraw/zinc/92/54/63/823925463.db2.gz SYJLVMAIKNRGRJ-WDEREUQCSA-N 1 0 388.821 4.160 20 0 GIADRO C[C@H]1C[C@@H]([NH2+]CCc2nnc3n2CCCCC3)c2cccc(Br)c21 ZINC000126680862 823925863 /nfs/dbraw/zinc/92/58/63/823925863.db2.gz IWHKKPDJZUGIQP-XJKSGUPXSA-N 1 0 389.341 4.148 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Nc2ccc3c(c2)CCN3)C1 ZINC000575154311 823925962 /nfs/dbraw/zinc/92/59/62/823925962.db2.gz GFQNBVAQNYUHNR-QGZVFWFLSA-N 1 0 378.520 4.208 20 0 GIADRO COCC[C@@H](C)C[NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C ZINC000414201903 823927511 /nfs/dbraw/zinc/92/75/11/823927511.db2.gz MOSHWWZQNGKSJQ-VGOFRKELSA-N 1 0 389.561 4.059 20 0 GIADRO C[C@@H](N[C@@H](C)c1ccc(F)cc1F)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000126690006 823927853 /nfs/dbraw/zinc/92/78/53/823927853.db2.gz BVJLCFCTWOVFJA-LSDHHAIUSA-N 1 0 377.454 4.268 20 0 GIADRO CN(C(=O)c1ccccc1Oc1ccccc1)C1CC[NH+](C2CCOCC2)CC1 ZINC000065039684 823928813 /nfs/dbraw/zinc/92/88/13/823928813.db2.gz ZUTCISAVZAEYRI-UHFFFAOYSA-N 1 0 394.515 4.194 20 0 GIADRO Clc1c(Br)cccc1C[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000414211447 823929494 /nfs/dbraw/zinc/92/94/94/823929494.db2.gz OPRIBHXWDMJXAJ-UHFFFAOYSA-N 1 0 394.744 4.252 20 0 GIADRO CCc1nc(C)c([C@H](C)[NH2+]Cc2cc(Cl)cc(S(=O)(=O)CC)c2)s1 ZINC000414211456 823929777 /nfs/dbraw/zinc/92/97/77/823929777.db2.gz OQOSEUZWFJIGJD-NSHDSACASA-N 1 0 386.970 4.312 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)[C@@H]2C[C@H]2c2ccccc2)c1 ZINC000414213343 823930949 /nfs/dbraw/zinc/93/09/49/823930949.db2.gz SOACAQGUFPSYMC-GKCIPKSASA-N 1 0 377.937 4.415 20 0 GIADRO CNc1ccc(Cl)c(C(=O)N[C@@H]2CC[N@H+](C3CC3)[C@@H]2c2cccc(OC)c2)c1 ZINC000575175782 823931775 /nfs/dbraw/zinc/93/17/75/823931775.db2.gz RCAQDJXLOZSCPX-NHCUHLMSSA-N 1 0 399.922 4.098 20 0 GIADRO CC(C)OC1CCC(NC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC000126710120 823933039 /nfs/dbraw/zinc/93/30/39/823933039.db2.gz QZEIPPGZLZVSCB-QHGAOEGBSA-N 1 0 375.557 4.151 20 0 GIADRO CO[C@@](C)([C@H](C)[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1)C1CC1 ZINC000414229883 823934229 /nfs/dbraw/zinc/93/42/29/823934229.db2.gz FSNMLQHAUBIFRR-QYWGDWMGSA-N 1 0 379.566 4.257 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Nc1c(F)cc(F)cc1Br)c1ccccc1 ZINC000192286912 823934313 /nfs/dbraw/zinc/93/43/13/823934313.db2.gz SCHCAZNQUAJJGY-HNNXBMFYSA-N 1 0 398.251 4.152 20 0 GIADRO CC[C@@H]([NH2+]C[C@@H]1CCO[C@H]1c1cnn(CC)c1)c1ccccc1OC(F)F ZINC000414236612 823936129 /nfs/dbraw/zinc/93/61/29/823936129.db2.gz ALWIIMAWQSMURY-POZUXBRTSA-N 1 0 379.451 4.323 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+]C(Cc2ccccc2)Cc2ccccc2)cn1 ZINC000414238060 823936613 /nfs/dbraw/zinc/93/66/13/823936613.db2.gz BVWNVDNEHTUJFJ-WIOPSUGQSA-N 1 0 389.543 4.424 20 0 GIADRO Cc1csc(C2([NH2+]C[C@@H](O)COCc3ccccc3Cl)CCCC2)n1 ZINC000126731937 823937830 /nfs/dbraw/zinc/93/78/30/823937830.db2.gz DKCHBEICXITUSG-MRXNPFEDSA-N 1 0 380.941 4.042 20 0 GIADRO COc1ccccc1C1(C[NH2+]Cc2ccc(-n3cncn3)c(C)c2)CCCC1 ZINC000462355332 823938235 /nfs/dbraw/zinc/93/82/35/823938235.db2.gz BNQAPCJHQAQXLM-UHFFFAOYSA-N 1 0 376.504 4.186 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@@H](C)c2cccc(-c3ccncc3)c2)cn1 ZINC000414243540 823938272 /nfs/dbraw/zinc/93/82/72/823938272.db2.gz JSBZHJPSNNJCFP-JWNTYJGQSA-N 1 0 376.504 4.393 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCC(c2ccncc2)CC1 ZINC000192297113 823938611 /nfs/dbraw/zinc/93/86/11/823938611.db2.gz NMPURGZFQYDBLU-UHFFFAOYSA-N 1 0 380.536 4.011 20 0 GIADRO C[C@@H](NC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc(F)c1F ZINC000126740188 823939606 /nfs/dbraw/zinc/93/96/06/823939606.db2.gz JUUSJRKAIITFQJ-HUUCEWRRSA-N 1 0 393.503 4.299 20 0 GIADRO CSc1cc2c(cc1C[NH2+]CC(C)(C)N1CCc3ccccc3C1)OCCO2 ZINC000462359543 823940243 /nfs/dbraw/zinc/94/02/43/823940243.db2.gz MQQUWQAOFRORBZ-UHFFFAOYSA-N 1 0 398.572 4.106 20 0 GIADRO COc1ccccc1-c1ccc([C@H](C)[NH2+]CCC(C)(C)S(C)(=O)=O)cc1 ZINC000414248271 823940222 /nfs/dbraw/zinc/94/02/22/823940222.db2.gz FMPRCUDWEXIHQA-INIZCTEOSA-N 1 0 375.534 4.226 20 0 GIADRO Nc1c(Cl)cc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1Cl ZINC000192302434 823940390 /nfs/dbraw/zinc/94/03/90/823940390.db2.gz JFYHAYFFUREUOP-BZNIZROVSA-N 1 0 383.323 4.056 20 0 GIADRO C[C@@H](CCc1cccc(C(F)(F)F)c1)[NH2+]Cc1ccccc1S(C)(=O)=O ZINC000414247864 823940487 /nfs/dbraw/zinc/94/04/87/823940487.db2.gz VSJNWAZSAKZEJG-AWEZNQCLSA-N 1 0 385.451 4.220 20 0 GIADRO COc1cncc(CN[C@@H](c2ccc(F)c(F)c2)C(C)(C)[NH+]2CCCC2)c1 ZINC000575213087 823940806 /nfs/dbraw/zinc/94/08/06/823940806.db2.gz UDSMJQUWINZNSW-FQEVSTJZSA-N 1 0 375.463 4.074 20 0 GIADRO Cc1ccc(Br)c(C[NH2+][C@@H](C)c2cccc(N3CCOCC3)c2)c1 ZINC000414251289 823941263 /nfs/dbraw/zinc/94/12/63/823941263.db2.gz HDEXORFWVWRZLQ-INIZCTEOSA-N 1 0 389.337 4.445 20 0 GIADRO CC[C@H](CSc1ccc(Cl)cc1)[NH2+]Cc1ccccc1S(C)(=O)=O ZINC000414250354 823941326 /nfs/dbraw/zinc/94/13/26/823941326.db2.gz XNVDQLHNEWTBJU-MRXNPFEDSA-N 1 0 383.966 4.404 20 0 GIADRO Clc1cc(Br)cc(C[NH2+]C2CCN(Cc3cccnc3)CC2)c1 ZINC000414253923 823942028 /nfs/dbraw/zinc/94/20/28/823942028.db2.gz ZMEOWUZSOQNWOQ-UHFFFAOYSA-N 1 0 394.744 4.252 20 0 GIADRO CC[C@](C)([NH2+]C[C@@H](O)CO[C@@H](C)c1ccc(Cl)cc1)c1nc(C)cs1 ZINC000126753173 823942390 /nfs/dbraw/zinc/94/23/90/823942390.db2.gz JYNZPKSJPZZWNO-YJLNNSPDSA-N 1 0 382.957 4.458 20 0 GIADRO O=C(NC[C@H]1CCN(c2ccccc2F)C1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000462366523 823943647 /nfs/dbraw/zinc/94/36/47/823943647.db2.gz UBELYHNHAQCROO-HXUWFJFHSA-N 1 0 395.522 4.068 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@H](C)c2cccc(Br)c2)cn1 ZINC000414259757 823944423 /nfs/dbraw/zinc/94/44/23/823944423.db2.gz YLWWOJCHVSISQJ-QIIPPGSGSA-N 1 0 378.314 4.094 20 0 GIADRO COc1ccccc1-c1ccc(C[NH2+]CC(=O)N2CCCc3ccccc32)cc1 ZINC000462369554 823945120 /nfs/dbraw/zinc/94/51/20/823945120.db2.gz QLFGSRBNLZIPTJ-UHFFFAOYSA-N 1 0 386.495 4.431 20 0 GIADRO C[C@H]([NH2+]CCC(C)(C)S(C)(=O)=O)c1cccc(OCc2ccccc2)c1 ZINC000414263977 823945124 /nfs/dbraw/zinc/94/51/24/823945124.db2.gz POABBNGRHLZBGF-KRWDZBQOSA-N 1 0 375.534 4.130 20 0 GIADRO Cc1ccccc1COc1ccc([C@H](C)[NH2+]CCC(C)(C)S(C)(=O)=O)cc1 ZINC000414265419 823946186 /nfs/dbraw/zinc/94/61/86/823946186.db2.gz QLQWQMYLSHBNSU-SFHVURJKSA-N 1 0 389.561 4.438 20 0 GIADRO CC(C)(CC[NH2+][C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1)S(C)(=O)=O ZINC000414267966 823947113 /nfs/dbraw/zinc/94/71/13/823947113.db2.gz UDXVJZUCDBOCFY-JKSUJKDBSA-N 1 0 377.472 4.144 20 0 GIADRO CC(C)(CC[NH2+][C@@H]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000414268556 823947430 /nfs/dbraw/zinc/94/74/30/823947430.db2.gz USNHOXASBRZIBW-CZUORRHYSA-N 1 0 378.365 4.432 20 0 GIADRO CC(C)(CC[NH2+][C@H](Cc1ccccc1Cl)c1cccs1)S(C)(=O)=O ZINC000414268504 823947592 /nfs/dbraw/zinc/94/75/92/823947592.db2.gz UOVWAIAPLAOWLZ-MRXNPFEDSA-N 1 0 385.982 4.488 20 0 GIADRO O=C(c1ccc(Sc2ccccn2)cc1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000126775144 823947854 /nfs/dbraw/zinc/94/78/54/823947854.db2.gz BHVLBFGSGIOHQL-RXVVDRJESA-N 1 0 393.556 4.322 20 0 GIADRO C[C@H]([NH2+]CCC(C)(C)S(C)(=O)=O)c1ccccc1OCc1ccccc1 ZINC000414272419 823948788 /nfs/dbraw/zinc/94/87/88/823948788.db2.gz XBMUYSNWLBSGJM-KRWDZBQOSA-N 1 0 375.534 4.130 20 0 GIADRO CC(C)c1c(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)cnn1-c1ccccc1 ZINC000192333291 823949436 /nfs/dbraw/zinc/94/94/36/823949436.db2.gz NHGMLSGYKUMRJQ-UHFFFAOYSA-N 1 0 383.540 4.380 20 0 GIADRO COc1cc([C@@H](C)[NH2+]Cc2ccc(S(C)(=O)=O)s2)ccc1OCC(C)C ZINC000414277096 823949991 /nfs/dbraw/zinc/94/99/91/823949991.db2.gz YZHWEIJMMNTTBF-CQSZACIVSA-N 1 0 397.562 4.046 20 0 GIADRO Cc1cc(C[NH2+]C2CCN(C(=O)c3ccccc3)CC2)ccc1C(F)(F)F ZINC000414279941 823950345 /nfs/dbraw/zinc/95/03/45/823950345.db2.gz KEKVMFOSQZLDBW-UHFFFAOYSA-N 1 0 376.422 4.408 20 0 GIADRO O=C(NCCCCOCc1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000065143251 823951394 /nfs/dbraw/zinc/95/13/94/823951394.db2.gz VCYXRCQKBLLWET-UHFFFAOYSA-N 1 0 380.532 4.012 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cnn(-c3ccccc3)c2C(C)C)C1 ZINC000192341343 823953262 /nfs/dbraw/zinc/95/32/62/823953262.db2.gz BCHIMYNLGOEKCJ-GOSISDBHSA-N 1 0 383.540 4.191 20 0 GIADRO Cc1ccc(C[NH+]2CCC(C(=O)N[C@H](C)C(C)C)CC2)cc1Br ZINC000126797355 823953552 /nfs/dbraw/zinc/95/35/52/823953552.db2.gz MVMMOVSVMBMSOL-OAHLLOKOSA-N 1 0 381.358 4.130 20 0 GIADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H](c2ccccc2)C2CCCC2)cc1Cl ZINC000414298425 823953796 /nfs/dbraw/zinc/95/37/96/823953796.db2.gz INCGQYQLVWESGD-IBGZPJMESA-N 1 0 378.925 4.009 20 0 GIADRO COc1ccc([C@@H](Cc2ccccc2C)[NH2+]Cc2ccc(C)nn2)cc1OC ZINC000414307740 823955102 /nfs/dbraw/zinc/95/51/02/823955102.db2.gz RYKAQMSXUDQMII-OAQYLSRUSA-N 1 0 377.488 4.184 20 0 GIADRO Cc1ccc(C[N@@H+](CC(=O)N(Cc2ccco2)CC(F)(F)F)C(C)C)s1 ZINC000065161963 823955216 /nfs/dbraw/zinc/95/52/16/823955216.db2.gz CZLXOLJQXSAHJE-UHFFFAOYSA-N 1 0 388.455 4.451 20 0 GIADRO COCC1CCC([NH2+]C2CCN(Cc3ccccc3Br)CC2)CC1 ZINC000414309685 823955291 /nfs/dbraw/zinc/95/52/91/823955291.db2.gz JUXIGJKKKJPYSU-UHFFFAOYSA-N 1 0 395.385 4.208 20 0 GIADRO O=C1CC[C@H](c2cccc(N[C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)c2)N1 ZINC000414310434 823955613 /nfs/dbraw/zinc/95/56/13/823955613.db2.gz HNEIIPUSLKDSTL-BXXSPATCSA-N 1 0 375.516 4.245 20 0 GIADRO COCCCC[N@H+](CC(=O)N(C)[C@@H]1CCCc2ccccc21)Cc1ccccc1 ZINC000065165519 823956420 /nfs/dbraw/zinc/95/64/20/823956420.db2.gz JFAMDGFYMMASRY-XMMPIXPASA-N 1 0 394.559 4.451 20 0 GIADRO CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H](CO)c2ccc(F)cc2)cc1 ZINC000414314778 823956455 /nfs/dbraw/zinc/95/64/55/823956455.db2.gz QVDFWMIZGLTSLN-LPHOPBHVSA-N 1 0 387.499 4.126 20 0 GIADRO CCN(CC)c1ccc(C[NH2+][C@H](C)c2ccc(OCc3nccn3C)cc2)cn1 ZINC000126811854 823957240 /nfs/dbraw/zinc/95/72/40/823957240.db2.gz SLDSHNKAGQFWAU-GOSISDBHSA-N 1 0 393.535 4.091 20 0 GIADRO Cn1cc([C@@H]2OCC[C@H]2[NH2+]Cc2csc3c2cccc3Br)cn1 ZINC000575332277 823957603 /nfs/dbraw/zinc/95/76/03/823957603.db2.gz RXKSBPVYNXKDNK-CVEARBPZSA-N 1 0 392.322 4.017 20 0 GIADRO CS(=O)(=O)CC1(C[NH2+][C@@H]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)CCC1 ZINC000414324973 823958289 /nfs/dbraw/zinc/95/82/89/823958289.db2.gz JNOOLWZCPQMHBJ-DOTOQJQBSA-N 1 0 389.483 4.146 20 0 GIADRO CS(=O)(=O)CC1(C[NH2+][C@H]2CCCOc3c(Cl)c(Cl)ccc32)CCC1 ZINC000414327118 823958882 /nfs/dbraw/zinc/95/88/82/823958882.db2.gz MHYPIJGGIPOXFI-AWEZNQCLSA-N 1 0 392.348 4.012 20 0 GIADRO c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H](NCc4nnc(C5CC5)s4)[C@H]3C2)cc1 ZINC000414327549 823958964 /nfs/dbraw/zinc/95/89/64/823958964.db2.gz OSSDLRWMXRQLCF-UFYCRDLUSA-N 1 0 382.577 4.196 20 0 GIADRO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@@H]1CCC[C@H](CO)C1 ZINC000414328215 823959355 /nfs/dbraw/zinc/95/93/55/823959355.db2.gz CIWPIIKLSXXSCM-FRRDWIJNSA-N 1 0 392.849 4.217 20 0 GIADRO O=C(NCCCCCOC1CCCCC1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000126823144 823959525 /nfs/dbraw/zinc/95/95/25/823959525.db2.gz VTTXBVVWIBHZCB-DENIHFKCSA-N 1 0 391.600 4.164 20 0 GIADRO O=C(C[NH2+][C@H]1CCCc2c(O)cccc21)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000192366117 823960041 /nfs/dbraw/zinc/96/00/41/823960041.db2.gz PEBAJRVSQRZUCE-SFHVURJKSA-N 1 0 394.471 4.039 20 0 GIADRO CCS(=O)(=O)CCC[NH2+][C@H](C)c1ccc(OCc2ccccc2C)cc1 ZINC000414333298 823960249 /nfs/dbraw/zinc/96/02/49/823960249.db2.gz FHBHFWPILHIZEG-GOSISDBHSA-N 1 0 375.534 4.049 20 0 GIADRO CCS(=O)(=O)CCC[NH2+][C@@H](C)c1ccc(OCc2ccccc2C)cc1 ZINC000414333299 823960341 /nfs/dbraw/zinc/96/03/41/823960341.db2.gz FHBHFWPILHIZEG-SFHVURJKSA-N 1 0 375.534 4.049 20 0 GIADRO C[C@H](Cc1cn(C)c2ccc(F)cc12)[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000414337635 823960817 /nfs/dbraw/zinc/96/08/17/823960817.db2.gz DRMQJIBWIXMNDF-HUUCEWRRSA-N 1 0 388.508 4.003 20 0 GIADRO CC(C)COc1ccc(C(C)(C)C[NH2+]Cc2ccc(S(C)(=O)=O)s2)cc1 ZINC000414338192 823960937 /nfs/dbraw/zinc/96/09/37/823960937.db2.gz LOPNXQBZHUBGJE-UHFFFAOYSA-N 1 0 395.590 4.254 20 0 GIADRO COc1cccc([C@@H]2C[C@H]2C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2Cl)c1 ZINC000414344308 823961703 /nfs/dbraw/zinc/96/17/03/823961703.db2.gz RFHMGLIJQFJQNA-IIMJZQEZSA-N 1 0 382.895 4.384 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2)C1)c1ncc(Br)cc1F ZINC000414344959 823961881 /nfs/dbraw/zinc/96/18/81/823961881.db2.gz KSUNNJXEWSHMBX-BXUZGUMPSA-N 1 0 382.252 4.052 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CC(C)(C)c1cccnc1 ZINC000414343054 823961895 /nfs/dbraw/zinc/96/18/95/823961895.db2.gz XRYKJRBVCYRQJK-CQSZACIVSA-N 1 0 375.900 4.028 20 0 GIADRO Cc1nc(C(F)(F)F)sc1C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000462407791 823962550 /nfs/dbraw/zinc/96/25/50/823962550.db2.gz GZNPIFVPRUXHJG-GFCCVEGCSA-N 1 0 391.846 4.156 20 0 GIADRO CC[NH+]1CCC(CCNS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)CC1 ZINC000462406996 823962718 /nfs/dbraw/zinc/96/27/18/823962718.db2.gz DKBNYSQFPLKLBC-UHFFFAOYSA-N 1 0 399.771 4.047 20 0 GIADRO CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3ccc(F)cc3)C2)cc1 ZINC000414351405 823962918 /nfs/dbraw/zinc/96/29/18/823962918.db2.gz RPERAAMHYCUPIZ-OXJNMPFZSA-N 1 0 384.499 4.285 20 0 GIADRO CN(C(=O)c1ccccc1OC(F)F)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000126837614 823962997 /nfs/dbraw/zinc/96/29/97/823962997.db2.gz GUNNPRHVNCKBIS-UHFFFAOYSA-N 1 0 390.430 4.039 20 0 GIADRO C[C@H]([NH2+]C1CCN(Cc2cccc(Br)c2)CC1)c1cncc(F)c1 ZINC000414353131 823963220 /nfs/dbraw/zinc/96/32/20/823963220.db2.gz RGLJAXPIBWLUHK-AWEZNQCLSA-N 1 0 392.316 4.298 20 0 GIADRO Cc1nc2ccccn2c(=O)c1CC[N@H+](CCc1ccccc1)C1CCCC1 ZINC000575369247 823963756 /nfs/dbraw/zinc/96/37/56/823963756.db2.gz HUACMVSWCZLWAT-UHFFFAOYSA-N 1 0 375.516 4.033 20 0 GIADRO Cc1cc(C[NH2+]Cc2cc(F)ccc2N2CCOCC2)ccc1C(F)(F)F ZINC000414355495 823964006 /nfs/dbraw/zinc/96/40/06/823964006.db2.gz CBESWOZZUKCITE-UHFFFAOYSA-N 1 0 382.401 4.279 20 0 GIADRO Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C1CCN([C@H](C)c2ccncc2)CC1 ZINC000414357583 823964276 /nfs/dbraw/zinc/96/42/76/823964276.db2.gz DLJAMLSEXTWAIV-GOSISDBHSA-N 1 0 393.510 4.030 20 0 GIADRO Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C1CCN([C@@H](C)c2ccncc2)CC1 ZINC000414357584 823964428 /nfs/dbraw/zinc/96/44/28/823964428.db2.gz DLJAMLSEXTWAIV-SFHVURJKSA-N 1 0 393.510 4.030 20 0 GIADRO c1sc(-c2ccc3c(c2)OCO3)nc1C[NH2+]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000192376132 823964992 /nfs/dbraw/zinc/96/49/92/823964992.db2.gz PWSUVSREZHZHTA-UWJYYQICSA-N 1 0 394.496 4.406 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(N3CCCCC3)cc2)cc1F ZINC000170764691 823965137 /nfs/dbraw/zinc/96/51/37/823965137.db2.gz FTCLLJUUVOSQEM-INIZCTEOSA-N 1 0 385.483 4.114 20 0 GIADRO O[C@@H](C[NH2+][C@H]1CCOc2c(-c3ccccc3)cccc21)COCc1cccs1 ZINC000575377198 823965169 /nfs/dbraw/zinc/96/51/69/823965169.db2.gz HQWNNOOGTZFGJU-AVRDEDQJSA-N 1 0 395.524 4.406 20 0 GIADRO CC[NH+]1CCC(n2nccc2NC(=O)c2cc(-c3ccc(Cl)cc3)on2)CC1 ZINC000170766092 823965503 /nfs/dbraw/zinc/96/55/03/823965503.db2.gz LYYDYVGMCVNSLT-UHFFFAOYSA-N 1 0 399.882 4.101 20 0 GIADRO c1c(CC2CC2)nn(-c2ccccc2)c1NC1CC[NH+](Cc2ccccn2)CC1 ZINC000414364363 823965967 /nfs/dbraw/zinc/96/59/67/823965967.db2.gz ITBMJRXDTDGLMD-UHFFFAOYSA-N 1 0 387.531 4.296 20 0 GIADRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)c2cc(-c3cccs3)n[nH]2)CC1 ZINC000170774682 823967792 /nfs/dbraw/zinc/96/77/92/823967792.db2.gz CIQUZYJPFJODIK-UHFFFAOYSA-N 1 0 394.544 4.122 20 0 GIADRO C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)N1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000575427670 823969659 /nfs/dbraw/zinc/96/96/59/823969659.db2.gz XSOPYPXUEAOFRB-HZPDHXFCSA-N 1 0 389.927 4.241 20 0 GIADRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NCC(C)(C)c1ncccc1C ZINC000462423783 823969933 /nfs/dbraw/zinc/96/99/33/823969933.db2.gz AYYCVZOIDOQTDB-UHFFFAOYSA-N 1 0 396.579 4.221 20 0 GIADRO C[C@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000126865530 823970095 /nfs/dbraw/zinc/97/00/95/823970095.db2.gz YRAWUMQGEKKRAJ-MJGOQNOKSA-N 1 0 377.488 4.054 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1)c1cccc(O)c1 ZINC000575473041 823973158 /nfs/dbraw/zinc/97/31/58/823973158.db2.gz YSWKXVMMMYDABN-JQHSSLGASA-N 1 0 378.472 4.040 20 0 GIADRO CC(C)C[N@H+](CC(=O)N1CCC[C@@H](C(F)(F)F)C1)[C@@H]1CCCc2cccnc21 ZINC000126887989 823974557 /nfs/dbraw/zinc/97/45/57/823974557.db2.gz REPXINOCCJMNLE-QZTJIDSGSA-N 1 0 397.485 4.218 20 0 GIADRO C[NH+](C)CCCC1CCN(C(=O)Nc2ccc(N3C[C@H]4CC[C@@H]3C4)cc2)CC1 ZINC000192408026 823975874 /nfs/dbraw/zinc/97/58/74/823975874.db2.gz VHLSHROLVGGMBD-SIKLNZKXSA-N 1 0 384.568 4.261 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)Cc1ccccc1C(F)(F)F ZINC000126898389 823976253 /nfs/dbraw/zinc/97/62/53/823976253.db2.gz UKILIMUZMFHXHP-UHFFFAOYSA-N 1 0 391.437 4.018 20 0 GIADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc(-c2ccccc2C(F)(F)F)on1 ZINC000462441502 823976649 /nfs/dbraw/zinc/97/66/49/823976649.db2.gz PJWBRSXLSKJDDB-KGLIPLIRSA-N 1 0 393.409 4.059 20 0 GIADRO C[C@H](NC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1)c1cc2ccccc2o1 ZINC000126907697 823978352 /nfs/dbraw/zinc/97/83/52/823978352.db2.gz ACGYQVMYKQQBHE-KRWDZBQOSA-N 1 0 392.499 4.128 20 0 GIADRO O=C(c1cc(-c2ccc(Cl)s2)on1)N1CCC([NH2+]C2CCCC2)CC1 ZINC000126913801 823979480 /nfs/dbraw/zinc/97/94/80/823979480.db2.gz FOGBHQHKCIHBKL-UHFFFAOYSA-N 1 0 379.913 4.193 20 0 GIADRO O=C(CCCc1ccccc1Cl)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000575628540 823979738 /nfs/dbraw/zinc/97/97/38/823979738.db2.gz LEGJMSJPSQTCMF-HXUWFJFHSA-N 1 0 384.951 4.344 20 0 GIADRO CC(C)C[N@H+](CC(=O)N1CCc2sccc2C1)[C@@H]1CCCc2cccnc21 ZINC000126916468 823979949 /nfs/dbraw/zinc/97/99/49/823979949.db2.gz XUYJYRVZRYTALY-LJQANCHMSA-N 1 0 383.561 4.063 20 0 GIADRO CCc1ccccc1NC(=O)[C@@H](C)Nc1cccc2c1C[N@H+](CCCOC)C2 ZINC000170822948 823980103 /nfs/dbraw/zinc/98/01/03/823980103.db2.gz HLEGPVZRXIZZCB-QGZVFWFLSA-N 1 0 381.520 4.040 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N3CCC(F)(F)[C@H](C)C3)cc2)C1 ZINC000575633437 823980747 /nfs/dbraw/zinc/98/07/47/823980747.db2.gz LXCSTGHHCVRQPE-FGTMMUONSA-N 1 0 393.522 4.351 20 0 GIADRO Cc1cc(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc(C)c1Br ZINC000192418801 823981293 /nfs/dbraw/zinc/98/12/93/823981293.db2.gz UJXYFRVEJYCMPY-HNNXBMFYSA-N 1 0 380.330 4.016 20 0 GIADRO Cc1ccc(C[NH2+][C@H]2CCN(C(C)(C)C)[C@@H]2c2ccc(Cl)c(F)c2)nn1 ZINC000414425838 823981730 /nfs/dbraw/zinc/98/17/30/823981730.db2.gz BABJZULKRSQYIU-RBUKOAKNSA-N 1 0 376.907 4.281 20 0 GIADRO C[C@@H]([NH2+]Cc1cncc(F)c1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000575735785 823983554 /nfs/dbraw/zinc/98/35/54/823983554.db2.gz KYVZVGJJMBSYAI-OAHLLOKOSA-N 1 0 381.426 4.392 20 0 GIADRO O=C(Nc1cc(Cl)c(F)c(Cl)c1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000192422644 823984811 /nfs/dbraw/zinc/98/48/11/823984811.db2.gz RYMZYLODMSKEBW-UHFFFAOYSA-N 1 0 397.281 4.314 20 0 GIADRO Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000414435081 823984957 /nfs/dbraw/zinc/98/49/57/823984957.db2.gz RIVWTJXTPXBXAA-LEWJYISDSA-N 1 0 387.405 4.218 20 0 GIADRO O=C([C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CC=C(c2ccc(O)cc2)CC1 ZINC000170834462 823985285 /nfs/dbraw/zinc/98/52/85/823985285.db2.gz VUIHCLVQUBDQMT-NRFANRHFSA-N 1 0 394.490 4.059 20 0 GIADRO CC(C)Oc1cccc(C[NH2+]CCCS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000575754438 823986360 /nfs/dbraw/zinc/98/63/60/823986360.db2.gz YKWULOKERBUXRZ-UHFFFAOYSA-N 1 0 381.925 4.081 20 0 GIADRO CS[C@H](C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1)c1ccccc1 ZINC000575754039 823986446 /nfs/dbraw/zinc/98/64/46/823986446.db2.gz GRSUJPOEEAAKBO-XLIONFOSSA-N 1 0 388.602 4.441 20 0 GIADRO Cc1ccc(-n2cc(C[N@@H+]3CC[C@@H](O)[C@H](C)C3)c(-c3ccc(F)cc3)n2)cc1 ZINC000575756465 823986851 /nfs/dbraw/zinc/98/68/51/823986851.db2.gz JCTJBPMVQWPPSH-VGOFRKELSA-N 1 0 379.479 4.190 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Nc1cc(C(F)(F)F)ccn1 ZINC000192425396 823987646 /nfs/dbraw/zinc/98/76/46/823987646.db2.gz SROKTSQEDYGUCC-UHFFFAOYSA-N 1 0 380.414 4.216 20 0 GIADRO Cc1cc(C[NH+](C)C)ccc1NS(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000414458054 823989179 /nfs/dbraw/zinc/98/91/79/823989179.db2.gz JYNNDAKJSYNOIL-UHFFFAOYSA-N 1 0 387.332 4.305 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3ccc4ncsc4c3)cc2F)CC1 ZINC000170849888 823989986 /nfs/dbraw/zinc/98/99/86/823989986.db2.gz IERPJOBKZLVRAC-UHFFFAOYSA-N 1 0 398.507 4.218 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1ccc(F)cc1OCC(F)F ZINC000575783665 823993961 /nfs/dbraw/zinc/99/39/61/823993961.db2.gz BDVFUHSJESIPOA-AWEZNQCLSA-N 1 0 387.446 4.246 20 0 GIADRO COCCNc1ccc(C[NH2+][C@@H](C)c2ccc(OC)c(Br)c2)cc1 ZINC000126983590 823994445 /nfs/dbraw/zinc/99/44/45/823994445.db2.gz QRZYXBMVBXMXKJ-AWEZNQCLSA-N 1 0 393.325 4.367 20 0 GIADRO CCOc1cc(CNc2ccc(C[NH+](C)C)cc2F)cc(Br)c1O ZINC000414492483 823994597 /nfs/dbraw/zinc/99/45/97/823994597.db2.gz AOHUPOUYDCPMEG-UHFFFAOYSA-N 1 0 397.288 4.366 20 0 GIADRO CN(C)C(=O)[C@@H]1CC[N@H+](Cc2nc(-c3cc(Cl)ccc3Cl)cs2)C1 ZINC000414493039 823994796 /nfs/dbraw/zinc/99/47/96/823994796.db2.gz BHOPNEDTPCUOEN-LLVKDONJSA-N 1 0 384.332 4.027 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]Cc2c(C)oc3ccccc32)c1 ZINC000414495893 823995371 /nfs/dbraw/zinc/99/53/71/823995371.db2.gz OWKVBOKOFVEQMI-UHFFFAOYSA-N 1 0 377.893 4.478 20 0 GIADRO CCC[C@@H](C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccccc1 ZINC000126986607 823995469 /nfs/dbraw/zinc/99/54/69/823995469.db2.gz BIPQEGWLMNJPCK-HSZRJFAPSA-N 1 0 380.532 4.413 20 0 GIADRO COc1cc(CNc2ccc(C[NH+](C)C)cc2F)cc(OC)c1OCC(F)F ZINC000414498803 823995718 /nfs/dbraw/zinc/99/57/18/823995718.db2.gz NNXASXGKLWRDHL-UHFFFAOYSA-N 1 0 398.425 4.161 20 0 GIADRO COC(=O)CCn1nc(C)c(C[NH2+][C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)c1C ZINC000414498111 823995957 /nfs/dbraw/zinc/99/59/57/823995957.db2.gz HPLJLKOPXYNGEP-IEBWSBKVSA-N 1 0 389.927 4.142 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)C[C@H](C)Nc1ccc(C[NH+](C)C)cc1F ZINC000414499255 823996366 /nfs/dbraw/zinc/99/63/66/823996366.db2.gz OGNWQXJUERISPP-ZDUSSCGKSA-N 1 0 393.890 4.379 20 0 GIADRO CO[C@](C)([C@H](C)[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1)C1CC1 ZINC000414500659 823996451 /nfs/dbraw/zinc/99/64/51/823996451.db2.gz MCRVJEWUIRVOGX-KPZWWZAWSA-N 1 0 378.314 4.132 20 0 GIADRO Cc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000575789852 823996637 /nfs/dbraw/zinc/99/66/37/823996637.db2.gz FKXDSISUNGMQMX-KPOBHBOGSA-N 1 0 389.902 4.150 20 0 GIADRO COc1ccc([C@H](C)[NH2+]C[C@H](c2cccc(C(F)(F)F)c2)N(C)C)cc1O ZINC000575791368 823997006 /nfs/dbraw/zinc/99/70/06/823997006.db2.gz JOPCRRXKQBINSK-SUMWQHHRSA-N 1 0 382.426 4.373 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+]Cc2ccc(-c3c(F)cccc3F)o2)cn1 ZINC000414503689 823997109 /nfs/dbraw/zinc/99/71/09/823997109.db2.gz INEXWAHOHHOPRR-LHSJRXKWSA-N 1 0 387.430 4.309 20 0 GIADRO COc1ccc([C@H](Cc2ccccc2)[NH2+]CC(=O)Nc2ccc(F)cc2F)cc1 ZINC000575791290 823997192 /nfs/dbraw/zinc/99/71/92/823997192.db2.gz WPQPLGSSSORUFB-QFIPXVFZSA-N 1 0 396.437 4.486 20 0 GIADRO COc1ccc([C@H](C)[NH2+]C[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)cc1O ZINC000575791367 823997238 /nfs/dbraw/zinc/99/72/38/823997238.db2.gz JOPCRRXKQBINSK-GUYCJALGSA-N 1 0 382.426 4.373 20 0 GIADRO COc1cc(C[NH2+][C@@H](C)[C@@](C)(OC)C2CC2)ccc1OCc1c(C)noc1C ZINC000414507021 823997456 /nfs/dbraw/zinc/99/74/56/823997456.db2.gz XOZVKELQBFZTMK-KSFYIVLOSA-N 1 0 388.508 4.172 20 0 GIADRO O=C(N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21)C1CC[NH+](C2CC2)CC1 ZINC000192457058 823997773 /nfs/dbraw/zinc/99/77/73/823997773.db2.gz LHGOLEOQWYEKBR-GOSISDBHSA-N 1 0 399.535 4.317 20 0 GIADRO CCO[C@@H](CC)C(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000575791756 823997787 /nfs/dbraw/zinc/99/77/87/823997787.db2.gz NTPDPNNHENZZIY-QHCPKHFHSA-N 1 0 380.532 4.381 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(C(C)(C)C)s1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000127001299 823998379 /nfs/dbraw/zinc/99/83/79/823998379.db2.gz HMFBOUDBZIDMFX-AWEZNQCLSA-N 1 0 380.579 4.147 20 0 GIADRO O=C(N[C@H](c1nccs1)c1ccccc1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000170880154 823998777 /nfs/dbraw/zinc/99/87/77/823998777.db2.gz WBYYPYJXWMOMTD-FQEVSTJZSA-N 1 0 398.576 4.186 20 0 GIADRO CC(C)(CC[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)S(C)(=O)=O ZINC000414512410 823998908 /nfs/dbraw/zinc/99/89/08/823998908.db2.gz BXZKPXQBDGDKTH-UHFFFAOYSA-N 1 0 389.439 4.268 20 0 GIADRO COc1cc(C[N@@H+]2CC3(CCOCC3)[C@@H]2C(C)C)ccc1OCc1ccncc1 ZINC000414520282 824000386 /nfs/dbraw/zinc/00/03/86/824000386.db2.gz CVJJWPPCMOUVMF-QHCPKHFHSA-N 1 0 396.531 4.306 20 0 GIADRO Cc1ccc(OCc2nc(C[NH2+]C[C@@H](CO)c3ccc(F)cc3)cs2)cc1 ZINC000414529134 824002457 /nfs/dbraw/zinc/00/24/57/824002457.db2.gz OUPHJCHIYDPVEC-KRWDZBQOSA-N 1 0 386.492 4.035 20 0 GIADRO Fc1ccc(OCc2noc([C@H]3CCC[N@H+](CCc4ccccc4)C3)n2)cc1 ZINC000575815907 824002603 /nfs/dbraw/zinc/00/26/03/824002603.db2.gz JFORGRYOWUTQOV-SFHVURJKSA-N 1 0 381.451 4.210 20 0 GIADRO C/C(=C/C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccc(F)cc1 ZINC000127025045 824002771 /nfs/dbraw/zinc/00/27/71/824002771.db2.gz MZUPCFFKHVLMAW-LGMDPLHJSA-N 1 0 382.479 4.072 20 0 GIADRO CCCCOc1ccc([C@@H](C)[NH2+][C@H]2CCN(C(=O)C3CCCC3)C2)cc1OC ZINC000127030817 824003405 /nfs/dbraw/zinc/00/34/05/824003405.db2.gz GOYRGYMJMZHWJE-XLIONFOSSA-N 1 0 388.552 4.316 20 0 GIADRO COc1ccc(C[N@@H+]2CC3(CCOCC3)[C@H]2C(C)C)c(OCc2cccnc2)c1 ZINC000414534521 824003943 /nfs/dbraw/zinc/00/39/43/824003943.db2.gz GQDFYXRZLJPBMR-HSZRJFAPSA-N 1 0 396.531 4.306 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)C1(c2ccc(Cl)cc2)CC1 ZINC000127032564 824004355 /nfs/dbraw/zinc/00/43/55/824004355.db2.gz MYUYGBKGQLAEEC-UHFFFAOYSA-N 1 0 398.934 4.215 20 0 GIADRO OCC1([C@@H]([NH2+]Cc2cc(C(F)(F)F)ccc2F)c2ccccc2)CCOCC1 ZINC000414536042 824004408 /nfs/dbraw/zinc/00/44/08/824004408.db2.gz IYGSWJTWHAXNCE-IBGZPJMESA-N 1 0 397.412 4.465 20 0 GIADRO Cc1ccc([C@H](OC[C@H](O)C[NH2+][C@@H](C)c2ccccn2)c2ccccc2)cc1 ZINC000192473957 824004930 /nfs/dbraw/zinc/00/49/30/824004930.db2.gz GZZKXZKCZZJMBE-BPUDTRNYSA-N 1 0 376.500 4.208 20 0 GIADRO Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000127039130 824005358 /nfs/dbraw/zinc/00/53/58/824005358.db2.gz PXEDHUFFRYLXPM-DOTOQJQBSA-N 1 0 380.602 4.399 20 0 GIADRO OCC1([C@H]([NH2+]Cc2cccc(-c3ccccn3)c2)c2ccccc2)CCOCC1 ZINC000414539763 824005890 /nfs/dbraw/zinc/00/58/90/824005890.db2.gz NXQHLTIWWSHGCV-XMMPIXPASA-N 1 0 388.511 4.369 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Nc1cc(-c2ccccc2)on1 ZINC000127045473 824006475 /nfs/dbraw/zinc/00/64/75/824006475.db2.gz DSDZKSPWYYSOMH-UHFFFAOYSA-N 1 0 391.475 4.046 20 0 GIADRO CC[NH+]1C[C@@H](C)N(C(=O)c2ccc(SCc3csc(C)n3)cc2)[C@H](C)C1 ZINC000575833747 824006991 /nfs/dbraw/zinc/00/69/91/824006991.db2.gz RUUBAZHSGXGRKT-HUUCEWRRSA-N 1 0 389.590 4.299 20 0 GIADRO COc1ccc2cc(C[NH2+][C@@H](c3ccccc3)C3(CO)CCOCC3)ccc2c1 ZINC000414546897 824007982 /nfs/dbraw/zinc/00/79/82/824007982.db2.gz YRRAXLPHASSFNN-DEOSSOPVSA-N 1 0 391.511 4.468 20 0 GIADRO CC[N@H+](Cc1cccc(Br)c1)Cc1cc(OC)c(O)c(OC)c1 ZINC000575837009 824008287 /nfs/dbraw/zinc/00/82/87/824008287.db2.gz HEZYSJCTLXUZFE-UHFFFAOYSA-N 1 0 380.282 4.194 20 0 GIADRO Cn1c2ccc(C[NH2+]Cc3cccc(NC(=O)C4CCCC4)c3)cc2sc1=O ZINC000192487215 824008928 /nfs/dbraw/zinc/00/89/28/824008928.db2.gz OAHVBTYYHLVIAR-UHFFFAOYSA-N 1 0 395.528 4.019 20 0 GIADRO COCCOCc1ccc(C[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)cc1 ZINC000414550012 824009131 /nfs/dbraw/zinc/00/91/31/824009131.db2.gz IRXKPMQABICBKR-QHCPKHFHSA-N 1 0 381.516 4.203 20 0 GIADRO CCOc1cc(C[N@@H+]2CCC[C@@H](N3CCCC3=O)CC2)ccc1OCC(C)C ZINC000414550464 824009522 /nfs/dbraw/zinc/00/95/22/824009522.db2.gz NCARGNVISNDHEM-HXUWFJFHSA-N 1 0 388.552 4.097 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)C1(c2cccc(Cl)c2)CC1 ZINC000127062945 824009721 /nfs/dbraw/zinc/00/97/21/824009721.db2.gz XFJQESFVQFQUCY-UHFFFAOYSA-N 1 0 398.934 4.215 20 0 GIADRO CCc1ncc(C[N@H+](C[C@@H](O)COc2ccccc2SC)C(C)C)s1 ZINC000414555818 824011404 /nfs/dbraw/zinc/01/14/04/824011404.db2.gz MRWSDGFYIHRZMC-OAHLLOKOSA-N 1 0 380.579 4.078 20 0 GIADRO CC(C)C[N@H+](CCC(=O)Nc1cc(N)ccc1F)[C@H]1CCCc2cccnc21 ZINC000127075677 824012030 /nfs/dbraw/zinc/01/20/30/824012030.db2.gz ZVKQYZLCMCNKTR-FQEVSTJZSA-N 1 0 384.499 4.167 20 0 GIADRO C[C@@H]1CN(c2ccccc2C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)CCO1 ZINC000414560306 824013184 /nfs/dbraw/zinc/01/31/84/824013184.db2.gz QVBMVWKNLZSSCT-HYBUGGRVSA-N 1 0 392.543 4.265 20 0 GIADRO CCOc1cc(C[NH2+]CC(C)(C)c2cccnc2)cc(Br)c1OC ZINC000414561992 824013639 /nfs/dbraw/zinc/01/36/39/824013639.db2.gz UAHSAMWUEQKVQX-UHFFFAOYSA-N 1 0 393.325 4.319 20 0 GIADRO Fc1ccc(N2CC[C@@H]([NH2+]Cc3ccccc3OCc3ccccn3)C2)cc1 ZINC000414562275 824013689 /nfs/dbraw/zinc/01/36/89/824013689.db2.gz AOGDMNKBCRUNEP-HXUWFJFHSA-N 1 0 377.463 4.168 20 0 GIADRO Cc1c([C@@H](C)[NH2+]Cc2ccc3c(c2)sc(=O)n3C)cnn1-c1ccc(F)cc1 ZINC000192506827 824014491 /nfs/dbraw/zinc/01/44/91/824014491.db2.gz HQMHYRXUJLLYKT-CYBMUJFWSA-N 1 0 396.491 4.084 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)c1cnc(C)s1)c1ccccc1OCC(=O)N1CCCC1 ZINC000127087880 824014620 /nfs/dbraw/zinc/01/46/20/824014620.db2.gz KMSVKNHUWHKKNZ-YJBOKZPZSA-N 1 0 387.549 4.255 20 0 GIADRO COc1ccc(C[NH2+][C@@H](C)Cc2cn(C)c3ccc(F)cc23)c(OC)c1OC ZINC000414572745 824014603 /nfs/dbraw/zinc/01/46/03/824014603.db2.gz XFUSWYXTOTWWJX-AWEZNQCLSA-N 1 0 386.467 4.064 20 0 GIADRO CC(C)C[N@H+](CCC(=O)N1CCc2sccc2C1)[C@@H]1CCCc2cccnc21 ZINC000127092136 824015404 /nfs/dbraw/zinc/01/54/04/824015404.db2.gz UJCCVBNEDUYIEK-HXUWFJFHSA-N 1 0 397.588 4.454 20 0 GIADRO Cc1nc2c(F)cccc2cc1C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000575872672 824016810 /nfs/dbraw/zinc/01/68/10/824016810.db2.gz UIYIGQLOFFJEAK-LJQANCHMSA-N 1 0 379.435 4.320 20 0 GIADRO CCNC(=O)COc1ccc(C[NH2+][C@H](CC)c2cccc(Cl)c2)cc1OC ZINC000127114962 824020526 /nfs/dbraw/zinc/02/05/26/824020526.db2.gz UAJZVCMOGLUGNW-GOSISDBHSA-N 1 0 390.911 4.104 20 0 GIADRO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(c2ccncn2)CC1)c1ccc2ccccc2c1 ZINC000575891426 824021700 /nfs/dbraw/zinc/02/17/00/824021700.db2.gz MLYNCRYBNADRTF-QZTJIDSGSA-N 1 0 388.515 4.075 20 0 GIADRO Cc1csc([C@@H](C)[NH2+]C[C@@H](O)COc2ccc(Oc3ccccc3)cc2)n1 ZINC000575906627 824025959 /nfs/dbraw/zinc/02/59/59/824025959.db2.gz JFSRPFIHOXFQLY-IAGOWNOFSA-N 1 0 384.501 4.334 20 0 GIADRO COc1ccc(Oc2ccc(Cl)cc2NC(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000414723194 824027436 /nfs/dbraw/zinc/02/74/36/824027436.db2.gz HQGREZISSVDEOC-UONOGXRCSA-N 1 0 389.883 4.342 20 0 GIADRO CCOc1ccc(Oc2ccccc2NC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000414723280 824027514 /nfs/dbraw/zinc/02/75/14/824027514.db2.gz IBIGTQIVKQJJSQ-QHCPKHFHSA-N 1 0 395.503 4.485 20 0 GIADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000414723942 824027568 /nfs/dbraw/zinc/02/75/68/824027568.db2.gz DGIMXLIBFYIGSC-XJKSGUPXSA-N 1 0 384.446 4.039 20 0 GIADRO CO[C@@H]1CCN(C(=O)Nc2ccc(Sc3ccc(C)cc3C)cc2)[C@H](C[NH3+])C1 ZINC000414723262 824027581 /nfs/dbraw/zinc/02/75/81/824027581.db2.gz IAAUSVYASIXHGT-RBUKOAKNSA-N 1 0 399.560 4.425 20 0 GIADRO CCCN(C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1)C1CC[NH2+]CC1 ZINC000414730814 824029532 /nfs/dbraw/zinc/02/95/32/824029532.db2.gz SITFHQJUPFQXFV-UHFFFAOYSA-N 1 0 398.473 4.302 20 0 GIADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 ZINC000414733893 824030108 /nfs/dbraw/zinc/03/01/08/824030108.db2.gz KKVFYFOVMXHVMP-BLLLJJGKSA-N 1 0 378.929 4.121 20 0 GIADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)Nc2ncc(Cc3ccccc3Cl)s2)C1 ZINC000414734317 824030262 /nfs/dbraw/zinc/03/02/62/824030262.db2.gz KQOBFKSQWBJTFE-TZMCWYRMSA-N 1 0 378.929 4.026 20 0 GIADRO CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)N2CC[C@@H](C[NH3+])C2)cc1 ZINC000414736739 824030826 /nfs/dbraw/zinc/03/08/26/824030826.db2.gz YQTCMPFRIWDIIL-AWEZNQCLSA-N 1 0 389.883 4.344 20 0 GIADRO COc1ccc(NC(=O)C2CC[NH+](C3CC3)CC2)cc1NC(=O)C1CCCCC1 ZINC000192557620 824031047 /nfs/dbraw/zinc/03/10/47/824031047.db2.gz ZVQSIGHDGWQAMR-UHFFFAOYSA-N 1 0 399.535 4.027 20 0 GIADRO CC(C)C(=O)Nc1ccc(NC(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)cc1 ZINC000414748438 824032751 /nfs/dbraw/zinc/03/27/51/824032751.db2.gz WODWJCJKHYPXQI-HXUWFJFHSA-N 1 0 382.508 4.226 20 0 GIADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)C1 ZINC000414753615 824033128 /nfs/dbraw/zinc/03/31/28/824033128.db2.gz WOESHUADBSBRPW-MFKMUULPSA-N 1 0 384.427 4.078 20 0 GIADRO COCC[NH+]1CCC(NC(=O)Nc2ccc(SC(C)(C)C)cc2C)CC1 ZINC000171001744 824033333 /nfs/dbraw/zinc/03/33/33/824033333.db2.gz PKZYSNCCFZAWGO-UHFFFAOYSA-N 1 0 379.570 4.118 20 0 GIADRO [NH3+]C[C@H]1CC[C@H](CNC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)CC1 ZINC000414770758 824034663 /nfs/dbraw/zinc/03/46/63/824034663.db2.gz OJAVNXZGNXNOLA-WKILWMFISA-N 1 0 378.476 4.381 20 0 GIADRO CO[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)[C@H](C[NH3+])C1 ZINC000414775010 824035103 /nfs/dbraw/zinc/03/51/03/824035103.db2.gz BIIOWHWEFWBPKL-DOTOQJQBSA-N 1 0 389.883 4.102 20 0 GIADRO CC(C)COC[C@H](NC(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1ccco1 ZINC000171008001 824035674 /nfs/dbraw/zinc/03/56/74/824035674.db2.gz HYUCOPOMSFCPDK-NRFANRHFSA-N 1 0 399.535 4.089 20 0 GIADRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)Nc2ccccc2N2CCCCCC2)CC1 ZINC000414791796 824036854 /nfs/dbraw/zinc/03/68/54/824036854.db2.gz QZYDSEVTIWJMIH-OAQYLSRUSA-N 1 0 384.568 4.309 20 0 GIADRO CC(C)Sc1cc(Br)ccc1C[NH2+]CC[C@@H](O)C(F)(F)F ZINC000575956225 824037246 /nfs/dbraw/zinc/03/72/46/824037246.db2.gz PIHSIOXLFJZOJE-CYBMUJFWSA-N 1 0 386.277 4.353 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cc(C)nc2c1cnn2C(C)C ZINC000171014200 824037456 /nfs/dbraw/zinc/03/74/56/824037456.db2.gz MIEUJZSZPPCQQK-UHFFFAOYSA-N 1 0 393.535 4.045 20 0 GIADRO [NH3+]C[C@@H](NCc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)C1CC1 ZINC000414807502 824037914 /nfs/dbraw/zinc/03/79/14/824037914.db2.gz RCOPZQITHVLVBX-GOSISDBHSA-N 1 0 378.303 4.073 20 0 GIADRO CC(C)Sc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000414810492 824038364 /nfs/dbraw/zinc/03/83/64/824038364.db2.gz XBVGYFMXIFQLHJ-LSDHHAIUSA-N 1 0 385.533 4.023 20 0 GIADRO Cc1cc(C)n(-c2ccccc2NC(=O)N[C@H](CCC[NH3+])c2ccccc2)n1 ZINC000414814102 824038756 /nfs/dbraw/zinc/03/87/56/824038756.db2.gz NEBVBSJDGVIFMT-LJQANCHMSA-N 1 0 377.492 4.091 20 0 GIADRO CC(=O)N(c1nc(CNCc2ccc([C@H](C)[NH3+])cc2)cs1)c1ccc(C)cc1 ZINC000414816020 824039049 /nfs/dbraw/zinc/03/90/49/824039049.db2.gz YWWVVBOWIWEVFB-INIZCTEOSA-N 1 0 394.544 4.446 20 0 GIADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1CNC[C@@H]([NH3+])c1ccccc1 ZINC000414839867 824040912 /nfs/dbraw/zinc/04/09/12/824040912.db2.gz WRFOBQJLPZOFMQ-HXUWFJFHSA-N 1 0 399.336 4.041 20 0 GIADRO CN(C(=O)Nc1ccccc1N1CCc2ccccc21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414844246 824041125 /nfs/dbraw/zinc/04/11/25/824041125.db2.gz KPWZELNBLXNIMV-DFNIBXOVSA-N 1 0 376.504 4.128 20 0 GIADRO CN(C)c1ccc(NC(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)c(C(F)(F)F)c1 ZINC000414846793 824041578 /nfs/dbraw/zinc/04/15/78/824041578.db2.gz HXKRZAQPPYJTMT-KDOFPFPSSA-N 1 0 398.473 4.157 20 0 GIADRO CC(C)c1ccc([C@H](N)C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)cc1 ZINC000414850544 824041660 /nfs/dbraw/zinc/04/16/60/824041660.db2.gz SNKVHPNCFJDJER-JOCHJYFZSA-N 1 0 399.966 4.358 20 0 GIADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)Nc1cc(C(C)(C)C)nn1-c1cccc(Cl)c1 ZINC000414854162 824042704 /nfs/dbraw/zinc/04/27/04/824042704.db2.gz UALVOKWGEORICJ-UONOGXRCSA-N 1 0 389.931 4.024 20 0 GIADRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)Nc2cccc(N3CCCCC3=O)c2)cc1 ZINC000414857209 824043101 /nfs/dbraw/zinc/04/31/01/824043101.db2.gz PDQPEEKMKRWWRF-NRFANRHFSA-N 1 0 394.519 4.148 20 0 GIADRO COc1cc(NC(=O)CC[N@@H+]2CCC[C@H]2c2ccccc2C)cc(OC)c1OC ZINC000171033328 824043419 /nfs/dbraw/zinc/04/34/19/824043419.db2.gz GGRUYOGSSXMWFH-IBGZPJMESA-N 1 0 398.503 4.187 20 0 GIADRO COc1cc(SC)ccc1NC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000575981941 824043826 /nfs/dbraw/zinc/04/38/26/824043826.db2.gz NNLQBJNFUXIWKO-KRWDZBQOSA-N 1 0 393.940 4.495 20 0 GIADRO CC[NH2+]Cc1cccc(NCc2c(C)nn(Cc3ccc(OC)cc3)c2C)c1 ZINC000414875323 824043892 /nfs/dbraw/zinc/04/38/92/824043892.db2.gz ZAZRXVIRYCSKSG-UHFFFAOYSA-N 1 0 378.520 4.278 20 0 GIADRO Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000414878640 824044207 /nfs/dbraw/zinc/04/42/07/824044207.db2.gz GWUWXHDYDZNHQF-QFIPXVFZSA-N 1 0 382.508 4.132 20 0 GIADRO CC[C@H](C)[C@@H](NC(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1)c1ccc(Cl)cc1 ZINC000414879891 824044244 /nfs/dbraw/zinc/04/42/44/824044244.db2.gz PZYXBCWHAAFCFN-CKFHNAJUSA-N 1 0 387.911 4.202 20 0 GIADRO CCCNc1ccc(CNC(=O)N(CC)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000192608497 824044947 /nfs/dbraw/zinc/04/49/47/824044947.db2.gz MLJKOAGRKHJLJN-UHFFFAOYSA-N 1 0 382.552 4.302 20 0 GIADRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000414882719 824045026 /nfs/dbraw/zinc/04/50/26/824045026.db2.gz CFDTTXMKVXAVFR-QGZVFWFLSA-N 1 0 395.507 4.293 20 0 GIADRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)NC1(C[NH3+])CCCC1 ZINC000414892944 824046771 /nfs/dbraw/zinc/04/67/71/824046771.db2.gz QNJSNEZQVMYYBT-UHFFFAOYSA-N 1 0 381.480 4.032 20 0 GIADRO [NH3+]CCc1ccccc1C(=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000575998223 824047034 /nfs/dbraw/zinc/04/70/34/824047034.db2.gz NNDMAGJHIRDWOS-SGAUDOEVSA-N 1 0 382.507 4.215 20 0 GIADRO Cn1ccnc1[C@@H](O)C1CC[NH+](CCCc2c(Cl)cccc2Cl)CC1 ZINC000192624263 824048178 /nfs/dbraw/zinc/04/81/78/824048178.db2.gz ZNXXAAGMGUCOPC-SFHVURJKSA-N 1 0 382.335 4.105 20 0 GIADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)Nc1ccc(Oc2cccc(F)c2)c2ccncc12 ZINC000576010540 824049365 /nfs/dbraw/zinc/04/93/65/824049365.db2.gz VCPVZHYQYZBFHT-IFXJQAMLSA-N 1 0 394.450 4.286 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)NC[C@@H](O)c1ccccc1)C1CCCCC1 ZINC000192630325 824050282 /nfs/dbraw/zinc/05/02/82/824050282.db2.gz AVBMLIUXQOTRFO-JOCHJYFZSA-N 1 0 381.520 4.306 20 0 GIADRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)cc1 ZINC000414936363 824051664 /nfs/dbraw/zinc/05/16/64/824051664.db2.gz ZGEFJIQDKAUGAT-FQEVSTJZSA-N 1 0 396.535 4.160 20 0 GIADRO Fc1ccc([C@@H]2CC[NH2+]C[C@H]2NCc2cnc(-c3ccsc3)s2)cc1F ZINC000414948355 824053171 /nfs/dbraw/zinc/05/31/71/824053171.db2.gz MDAPAWMGPWCWQT-MAUKXSAKSA-N 1 0 391.512 4.385 20 0 GIADRO Cc1ccc(OCc2nc(CNC[C@H]3[NH2+]CCc4ccccc43)cs2)cc1 ZINC000414957634 824053584 /nfs/dbraw/zinc/05/35/84/824053584.db2.gz QHAMYVOZAOTKPY-OAQYLSRUSA-N 1 0 379.529 4.007 20 0 GIADRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)CCCc1ccccc1)c1ccccc1O2 ZINC000192641429 824053741 /nfs/dbraw/zinc/05/37/41/824053741.db2.gz BTOCJUMPRXKIGG-NRFANRHFSA-N 1 0 378.516 4.114 20 0 GIADRO CC[C@H](c1ccccc1)[NH+]1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)CC1 ZINC000171065607 824053752 /nfs/dbraw/zinc/05/37/52/824053752.db2.gz SIARUDWGFXYXQI-HRAATJIYSA-N 1 0 392.499 4.452 20 0 GIADRO C[C@H](c1ccccc1F)[NH+]1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)CC1 ZINC000171065750 824053856 /nfs/dbraw/zinc/05/38/56/824053856.db2.gz QKKHWUYROBJHHO-CABCVRRESA-N 1 0 396.462 4.201 20 0 GIADRO CO[C@@H]1CCN(C(=O)Nc2ccc(Oc3cc(C)cc(C)c3)cc2)[C@H](C[NH3+])C1 ZINC000414971897 824055999 /nfs/dbraw/zinc/05/59/99/824055999.db2.gz IZARSQRLZGQMGF-AZUAARDMSA-N 1 0 383.492 4.066 20 0 GIADRO C[NH+]1CCN(Cc2cccc(NC(=O)c3cc(F)c(Cl)cc3Cl)c2)CC1 ZINC000057055413 205153129 /nfs/dbraw/zinc/15/31/29/205153129.db2.gz VJVVQVFSWAIAPJ-UHFFFAOYSA-N 1 0 396.293 4.132 20 0 GIADRO Cc1nn(Cc2ccccc2)c2sc(C(=O)NCC[NH+](C(C)C)C(C)C)cc12 ZINC000007800480 206222104 /nfs/dbraw/zinc/22/21/04/206222104.db2.gz AFJGBDMKOCCZLE-UHFFFAOYSA-N 1 0 398.576 4.303 20 0 GIADRO [NH3+]C1CC2(C1)CCN(C(F)(F)c1cccc(-c3ccc(Cl)nn3)c1)CC2 ZINC001164387723 718802317 /nfs/dbraw/zinc/80/23/17/718802317.db2.gz NGSHWFOZWANJEZ-UHFFFAOYSA-N 1 0 378.854 4.050 20 0 GIADRO [NH3+]C1CC2(C1)CCN(C(F)(F)c1cc(-c3ccc(F)cc3)nnc1Cl)CC2 ZINC001164387765 718802689 /nfs/dbraw/zinc/80/26/89/718802689.db2.gz PDHWUXQZICNLRC-UHFFFAOYSA-N 1 0 396.844 4.189 20 0 GIADRO F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CCC2(CCCC[NH2+]2)CC1 ZINC001164388635 718803719 /nfs/dbraw/zinc/80/37/19/718803719.db2.gz ZANWIZFHPSKMFU-IBGZPJMESA-N 1 0 390.890 4.037 20 0 GIADRO Cc1cc(Cl)nc(C(F)(F)N2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)c1 ZINC001164387533 718814661 /nfs/dbraw/zinc/81/46/61/718814661.db2.gz HPTZQEASMJAAAT-ZDUSSCGKSA-N 1 0 383.792 4.099 20 0 GIADRO FC(F)(c1ccc2ncnc(Cl)c2c1)N1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001164416721 718891898 /nfs/dbraw/zinc/89/18/98/718891898.db2.gz FZLNRYHPZZZBCB-QGZVFWFLSA-N 1 0 380.870 4.187 20 0 GIADRO Fc1cccc2c(Cl)nc(C(F)(F)N3CCCC[C@H]3C3CC[NH2+]CC3)nc12 ZINC001164416959 718891946 /nfs/dbraw/zinc/89/19/46/718891946.db2.gz GQOVUSZMGYJOOX-HNNXBMFYSA-N 1 0 398.860 4.326 20 0 GIADRO FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1CCCCC12CC[NH2+]CC2 ZINC001164419419 718912056 /nfs/dbraw/zinc/91/20/56/718912056.db2.gz AESMWVREENINLY-UHFFFAOYSA-N 1 0 392.881 4.454 20 0 GIADRO CSc1ccc(C(F)(F)N2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)nc1Cl ZINC001164425895 718943277 /nfs/dbraw/zinc/94/32/77/718943277.db2.gz XYFLIWWHEQHVMM-UONOGXRCSA-N 1 0 381.879 4.077 20 0 GIADRO Cc1cc(Cl)nc(C(F)(F)N2CC[C@@]3(C[NH2+]C[C@H]3c3ccccc3)C2)c1 ZINC001164621723 719046369 /nfs/dbraw/zinc/04/63/69/719046369.db2.gz JPLUAECUQKVMHW-QFBILLFUSA-N 1 0 377.866 4.172 20 0 GIADRO Cc1ccc(Cl)nc1C(F)(F)N1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164626600 719046759 /nfs/dbraw/zinc/04/67/59/719046759.db2.gz SHZFJUKTOYPDIS-VQIMIIECSA-N 1 0 377.866 4.172 20 0 GIADRO Clc1ccc2ncnc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)c2c1 ZINC001164620495 719064477 /nfs/dbraw/zinc/06/44/77/719064477.db2.gz FNMYZPCGEFPAII-DYESRHJHSA-N 1 0 378.907 4.384 20 0 GIADRO c1csc(-c2ccc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)nn2)c1 ZINC001164621672 719085452 /nfs/dbraw/zinc/08/54/52/719085452.db2.gz HKAFZQQORJYWIU-QUCCMNQESA-N 1 0 376.529 4.306 20 0 GIADRO Cc1nc(-c2ccncc2)nc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1C ZINC001164625128 719104233 /nfs/dbraw/zinc/10/42/33/719104233.db2.gz GQMCEWWMTKSHQV-GOTSBHOMSA-N 1 0 399.542 4.256 20 0 GIADRO CC(C)C[NH+]1CCN(C(F)(F)c2cnc(Cl)c(-c3cccnc3)c2)CC1 ZINC001164657270 719338899 /nfs/dbraw/zinc/33/88/99/719338899.db2.gz HBYOPYHNOZFQDP-UHFFFAOYSA-N 1 0 380.870 4.120 20 0 GIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ncc4cc(F)ccc4n2)CC3)cs1 ZINC001164691268 719811990 /nfs/dbraw/zinc/81/19/90/719811990.db2.gz CJSZNJPVHSJVDO-UHFFFAOYSA-N 1 0 397.523 4.169 20 0 GIADRO Cc1cc2ncnc(N3CCC4(CCC[N@@H+]4Cc4csc(C)n4)CC3)c2s1 ZINC001164691524 719812763 /nfs/dbraw/zinc/81/27/63/719812763.db2.gz GBTALAYLQZWCNS-UHFFFAOYSA-N 1 0 399.589 4.400 20 0 GIADRO CSCc1ccnc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)c1 ZINC001164691264 719815848 /nfs/dbraw/zinc/81/58/48/719815848.db2.gz CEFZHLCOLWINNQ-UHFFFAOYSA-N 1 0 388.606 4.345 20 0 GIADRO CSc1cnc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c(C)c1 ZINC001164699243 719896878 /nfs/dbraw/zinc/89/68/78/719896878.db2.gz YFBWIHGYOSIVSL-UHFFFAOYSA-N 1 0 389.590 4.045 20 0 GIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)cc3ccc(C)cc31)C2 ZINC001164814384 720144709 /nfs/dbraw/zinc/14/47/09/720144709.db2.gz SDLUXIDKCOFLJA-WMZHIEFXSA-N 1 0 399.966 4.381 20 0 GIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(C3CCCCC3)nc(C)n1)C2 ZINC001164818102 720157248 /nfs/dbraw/zinc/15/72/48/720157248.db2.gz RTYLRMUSIIIWRT-ZJSXRUAMSA-N 1 0 398.595 4.017 20 0 GIADRO Cc1ccc(F)c2cc(C)c(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)nc12 ZINC001164726514 720405154 /nfs/dbraw/zinc/40/51/54/720405154.db2.gz PAONMNVFOHQTCT-SFTDATJTSA-N 1 0 376.479 4.239 20 0 GIADRO Cc1cc(Cl)ncc1C(F)(F)N([C@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001164735566 720544427 /nfs/dbraw/zinc/54/44/27/720544427.db2.gz POMVGXYMAFUFNV-CQSZACIVSA-N 1 0 387.902 4.104 20 0 GIADRO Cc1ccc2c(c1)cc(Cl)nc2N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164736293 720574331 /nfs/dbraw/zinc/57/43/31/720574331.db2.gz HECKNIZISJCEND-UHFFFAOYSA-N 1 0 395.938 4.052 20 0 GIADRO Cc1cc(Cl)cc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164843323 720661410 /nfs/dbraw/zinc/66/14/10/720661410.db2.gz WFNCXIOJEQUCAG-HXUWFJFHSA-N 1 0 385.939 4.303 20 0 GIADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(C(C)(C)C)ncn1)CC2 ZINC001164838993 720711555 /nfs/dbraw/zinc/71/15/55/720711555.db2.gz JYBVSXOGECZIAQ-HXUWFJFHSA-N 1 0 394.563 4.034 20 0 GIADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(C3CCC3)ncn1)CC2 ZINC001164840903 720723004 /nfs/dbraw/zinc/72/30/04/720723004.db2.gz SDSAOZLXUXUKES-OAQYLSRUSA-N 1 0 392.547 4.004 20 0 GIADRO FC(F)(c1cc2ccccc2nc1Cl)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001164769614 721293033 /nfs/dbraw/zinc/29/30/33/721293033.db2.gz KADOXGPRQVAQJH-UHFFFAOYSA-N 1 0 377.866 4.355 20 0 GIADRO Fc1cccc2c(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)cc(Cl)nc12 ZINC001164782696 721437020 /nfs/dbraw/zinc/43/70/20/721437020.db2.gz HJBCLJRILRFBRE-BETUJISGSA-N 1 0 388.899 4.052 20 0 GIADRO Cc1cc2c(ncnc2N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)s1 ZINC001164793419 721489108 /nfs/dbraw/zinc/48/91/08/721489108.db2.gz SAMRUUXRSUAANL-UHFFFAOYSA-N 1 0 393.560 4.276 20 0 GIADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(Cl)nc(C3CC3)n1)CC2 ZINC001164791622 721491367 /nfs/dbraw/zinc/49/13/67/721491367.db2.gz CQSWCKVWKIMLKR-UHFFFAOYSA-N 1 0 397.954 4.283 20 0 GIADRO Cc1nnc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c2ccccc12 ZINC001164795441 721499895 /nfs/dbraw/zinc/49/98/95/721499895.db2.gz HBXHJPSGOKFPOK-UHFFFAOYSA-N 1 0 387.531 4.214 20 0 GIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccnc(-c4ccccc4)n3)C[C@H]21 ZINC001165028131 721803913 /nfs/dbraw/zinc/80/39/13/721803913.db2.gz YPNWGCPALSTQCZ-MDNUFGMLSA-N 1 0 399.542 4.276 20 0 GIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(-c4ccccc4)nn3)C[C@@H]21 ZINC001165026151 721804310 /nfs/dbraw/zinc/80/43/10/721804310.db2.gz QAIIJDAXDSVWMB-JCTONOIOSA-N 1 0 399.542 4.276 20 0 GIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(Cl)nc4c3CCC4)C[C@H]21 ZINC001165025004 721806837 /nfs/dbraw/zinc/80/68/37/721806837.db2.gz NAUJJOWJWALGFY-LDQXTDLNSA-N 1 0 396.966 4.356 20 0 GIADRO Cc1ccc2nc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)ncc2c1 ZINC001165024168 721813927 /nfs/dbraw/zinc/81/39/27/721813927.db2.gz JKIXMDBOTYVIIS-ZEYPLWLESA-N 1 0 387.531 4.070 20 0 GIADRO CSCc1ccc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc1 ZINC001165022197 721827558 /nfs/dbraw/zinc/82/75/58/721827558.db2.gz GQCVOZOOTAKBLQ-SESVDKBCSA-N 1 0 382.577 4.077 20 0 GIADRO CSCc1ccc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc1 ZINC001165022192 721827647 /nfs/dbraw/zinc/82/76/47/721827647.db2.gz GQCVOZOOTAKBLQ-JBACZVJFSA-N 1 0 382.577 4.077 20 0 GIADRO C[NH+](C)[C@H]1CCCN(C(F)(F)c2ccc(OCc3ccc(Cl)nc3)cc2)C1 ZINC001165034634 721897464 /nfs/dbraw/zinc/89/74/64/721897464.db2.gz GOLMXIGALOYIAC-KRWDZBQOSA-N 1 0 395.881 4.389 20 0 GIADRO COc1ccc(-c2csc3ncnc(N4CCC(C[NH+](C)C)CC4)c23)cc1 ZINC000052404186 721948807 /nfs/dbraw/zinc/94/88/07/721948807.db2.gz JYOQSFYDTHZYHV-UHFFFAOYSA-N 1 0 382.533 4.145 20 0 GIADRO C[NH+](C)CC1CCN(C(F)(F)c2cnc(Cl)c(-c3cccnc3)c2)CC1 ZINC001165042354 721950702 /nfs/dbraw/zinc/95/07/02/721950702.db2.gz KYOYZTQRQQRADB-UHFFFAOYSA-N 1 0 380.870 4.120 20 0 GIADRO C[NH+](C)CC1CCN(c2cc(Cl)nc(-c3ccc(F)c(Cl)c3)n2)CC1 ZINC001165042374 721950941 /nfs/dbraw/zinc/95/09/41/721950941.db2.gz MABDOUSSXJAWEP-UHFFFAOYSA-N 1 0 383.298 4.368 20 0 GIADRO Cc1cccc(-c2cc(C(F)(F)N3CCC(C[NH+](C)C)CC3)c(Cl)nn2)c1 ZINC001165042495 721951683 /nfs/dbraw/zinc/95/16/83/721951683.db2.gz NGEZECYJZYNCBX-UHFFFAOYSA-N 1 0 394.897 4.428 20 0 GIADRO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@@H+](C(C)(C)c3ccnc(Cl)c3)C[C@H]12 ZINC001164945471 721968277 /nfs/dbraw/zinc/96/82/77/721968277.db2.gz LAPIUMLGOQKTIF-NZQKXSOJSA-N 1 0 397.950 4.235 20 0 GIADRO CC[NH+](CC)C1CCN(C(F)(F)c2cc(Cl)nc(-c3ccccn3)n2)CC1 ZINC001165054695 722006311 /nfs/dbraw/zinc/00/63/11/722006311.db2.gz YIXJUYJEDIEBIJ-UHFFFAOYSA-N 1 0 395.885 4.048 20 0 GIADRO Clc1cccc2ncc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)nc12 ZINC001164951575 722014495 /nfs/dbraw/zinc/01/44/95/722014495.db2.gz BBDRVZUWXWKMRU-UHFFFAOYSA-N 1 0 393.922 4.171 20 0 GIADRO CCOc1ccc(Cl)nc1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164955285 722018820 /nfs/dbraw/zinc/01/88/20/722018820.db2.gz DHKUJFJFKXIZQZ-UHFFFAOYSA-N 1 0 386.927 4.021 20 0 GIADRO c1cncc(C[N@H+]2CCC3(C2)CCN(c2ccc(COC4CCC4)cn2)CC3)c1 ZINC001164964489 722024292 /nfs/dbraw/zinc/02/42/92/722024292.db2.gz WMEPKVDNQNTUDY-UHFFFAOYSA-N 1 0 392.547 4.038 20 0 GIADRO CC(C)(c1ccnc(Cl)c1)[NH+]1CCC2(CC[C@@H](C(=O)NCC3CC3)C2)CC1 ZINC001164984537 722092107 /nfs/dbraw/zinc/09/21/07/722092107.db2.gz WUMSSJXZWILIJN-QGZVFWFLSA-N 1 0 389.971 4.379 20 0 GIADRO c1cc(N2CCC[C@@]3(C[C@H](OCC4CCCC4)CO3)C2)ncc1C[NH+]1CCCC1 ZINC001164973495 722165848 /nfs/dbraw/zinc/16/58/48/722165848.db2.gz BNQZKWYQQQKNJW-LADGPHEKSA-N 1 0 399.579 4.012 20 0 GIADRO Cc1ccc2ncnc(N3CCC[C@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)c2c1 ZINC001164992884 722196046 /nfs/dbraw/zinc/19/60/46/722196046.db2.gz BWTAEUVHVKVBPT-QHCPKHFHSA-N 1 0 376.479 4.322 20 0 GIADRO COc1ccc2nc(N3CCC[C@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)ncc2c1 ZINC001164994978 722201155 /nfs/dbraw/zinc/20/11/55/722201155.db2.gz JZLGEEDPDWWFIZ-QHCPKHFHSA-N 1 0 392.478 4.022 20 0 GIADRO CC(C)OC(=O)c1cccnc1N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164997496 722212495 /nfs/dbraw/zinc/21/24/95/722212495.db2.gz QWAAZNFOFYBQPN-QHCPKHFHSA-N 1 0 397.494 4.031 20 0 GIADRO Cc1ccc(C(=O)Nc2ccccc2C[NH+](C)C)cc1NC(=O)NC(C)(C)C ZINC000570489699 823045258 /nfs/dbraw/zinc/04/52/58/823045258.db2.gz LOELRAAQDLHVDO-UHFFFAOYSA-N 1 0 382.508 4.229 20 0 GIADRO Cc1oc(-c2cnn(C)c2)nc1C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000175810021 823045362 /nfs/dbraw/zinc/04/53/62/823045362.db2.gz JUFXWBYRVLQZFN-UHFFFAOYSA-N 1 0 393.491 4.012 20 0 GIADRO O=c1cc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)c2cc3c(cc2o1)CCC3 ZINC000175815436 823046790 /nfs/dbraw/zinc/04/67/90/823046790.db2.gz VAORSEYMOTZVOU-UYAOXDASSA-N 1 0 395.524 4.431 20 0 GIADRO CC1(C)OCc2cc(C[NH2+]Cc3ccnc(N4CCCCCC4)c3)ccc2O1 ZINC000187346808 823046940 /nfs/dbraw/zinc/04/69/40/823046940.db2.gz MOOMWEJOWNFWER-UHFFFAOYSA-N 1 0 381.520 4.397 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH2+]C[C@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000187346837 823047068 /nfs/dbraw/zinc/04/70/68/823047068.db2.gz NBVGITCABPHDOT-FQEVSTJZSA-N 1 0 397.519 4.150 20 0 GIADRO O=C(CC[NH2+]Cc1nc2cc(Cl)ccc2s1)Nc1cc(F)cc(F)c1 ZINC000570508897 823048048 /nfs/dbraw/zinc/04/80/48/823048048.db2.gz DOZOCKCIFWMLLR-UHFFFAOYSA-N 1 0 381.835 4.346 20 0 GIADRO CCS[C@H]1CCC[C@H](NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000458499879 823048077 /nfs/dbraw/zinc/04/80/77/823048077.db2.gz IMJLUDSIOQCSLD-HOCLYGCPSA-N 1 0 395.535 4.109 20 0 GIADRO CCC(CC)[C@@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2S(=O)(=O)CC)CCO1 ZINC000187355346 823048380 /nfs/dbraw/zinc/04/83/80/823048380.db2.gz ULAXGOQKFLILCD-AEFFLSMTSA-N 1 0 387.973 4.207 20 0 GIADRO C[C@H](CCCc1cccnc1)NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000458501725 823048368 /nfs/dbraw/zinc/04/83/68/823048368.db2.gz LBXKJSKZYVRZNY-MIZPHKNDSA-N 1 0 394.563 4.003 20 0 GIADRO COc1c(Br)cccc1CN[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000187357021 823049013 /nfs/dbraw/zinc/04/90/13/823049013.db2.gz OYGLLODBWARIKQ-GDBMZVCRSA-N 1 0 381.358 4.200 20 0 GIADRO C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](Sc3ccc(F)cc3)c3ccccc3)C2)C1 ZINC000570522299 823049393 /nfs/dbraw/zinc/04/93/93/823049393.db2.gz ZHEPKRWGKQZDGJ-IRLDBZIGSA-N 1 0 384.520 4.213 20 0 GIADRO COc1ccc(-c2csc(CNC(=O)NCCCC[N@H+](C)C3CC3)c2)cc1 ZINC000458512915 823049553 /nfs/dbraw/zinc/04/95/53/823049553.db2.gz ZTAFLSOMELNPEC-UHFFFAOYSA-N 1 0 387.549 4.097 20 0 GIADRO Cc1csc([C@H](NC(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)C2CC2)n1 ZINC000175829352 823049685 /nfs/dbraw/zinc/04/96/85/823049685.db2.gz GQHJMKTYBRIHLQ-YLJYHZDGSA-N 1 0 398.576 4.209 20 0 GIADRO COc1cc(C[NH2+]C[C@]2(O)CCCC2(C)C)ccc1OCc1cccs1 ZINC000570532689 823050695 /nfs/dbraw/zinc/05/06/95/823050695.db2.gz XKMNDLBXWRLVEZ-OAQYLSRUSA-N 1 0 375.534 4.367 20 0 GIADRO O=C1Nc2cc(Cl)ccc2[C@H]1C1CC[NH+](Cc2ccc3c(n2)CCC3)CC1 ZINC000570536470 823051152 /nfs/dbraw/zinc/05/11/52/823051152.db2.gz RSQORBWOSCWOSJ-OAQYLSRUSA-N 1 0 381.907 4.172 20 0 GIADRO CC(C)Cn1ncc(C(=O)NC(C)(C)CC[NH+]2CCCCCC2)c1C(F)F ZINC000187378878 823052708 /nfs/dbraw/zinc/05/27/08/823052708.db2.gz KQIWDLAEQDYHCI-UHFFFAOYSA-N 1 0 384.515 4.251 20 0 GIADRO Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000120724192 823053013 /nfs/dbraw/zinc/05/30/13/823053013.db2.gz MAMQSOCWYQKEEX-LLVKDONJSA-N 1 0 385.455 4.085 20 0 GIADRO Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000120724384 823053028 /nfs/dbraw/zinc/05/30/28/823053028.db2.gz MAMQSOCWYQKEEX-NSHDSACASA-N 1 0 385.455 4.085 20 0 GIADRO Cc1cc(Br)cc([C@H](C)[NH2+]Cc2cccc3c2OCCCO3)c1O ZINC000187381095 823052992 /nfs/dbraw/zinc/05/29/92/823052992.db2.gz ZUBAGPSETFNOLO-ZDUSSCGKSA-N 1 0 392.293 4.475 20 0 GIADRO CCc1nn(C)c(CC)c1C[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000187399429 823056029 /nfs/dbraw/zinc/05/60/29/823056029.db2.gz FZMDSIFGBZJMNB-GFCCVEGCSA-N 1 0 380.330 4.172 20 0 GIADRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1ccc(F)c(F)c1F ZINC000175864341 823058615 /nfs/dbraw/zinc/05/86/15/823058615.db2.gz DRUHWPRFXKOCAK-UHFFFAOYSA-N 1 0 380.435 4.213 20 0 GIADRO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2csc(COc3ccc(C)cc3)n2)C1 ZINC000175865745 823058787 /nfs/dbraw/zinc/05/87/87/823058787.db2.gz JXNVUYGBNYTEIB-NNCILOIOSA-N 1 0 392.590 4.200 20 0 GIADRO CSCc1cccc(CNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)c1 ZINC000187411204 823058241 /nfs/dbraw/zinc/05/82/41/823058241.db2.gz SDISXLSVWKAJBD-UHFFFAOYSA-N 1 0 397.588 4.356 20 0 GIADRO COc1ccc(-c2nc(C[N@H+](C)CCC3CCOCC3)cs2)c(OC)c1 ZINC000120762378 823059260 /nfs/dbraw/zinc/05/92/60/823059260.db2.gz ZXZQPVSIKWEFRD-UHFFFAOYSA-N 1 0 376.522 4.076 20 0 GIADRO COc1ccc([C@H](NC(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)c2ccco2)cc1 ZINC000458588210 823059926 /nfs/dbraw/zinc/05/99/26/823059926.db2.gz WEINMPCKCIBWAZ-GCJKJVERSA-N 1 0 399.535 4.045 20 0 GIADRO COc1ccc([C@@H](NC(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)c2ccco2)cc1 ZINC000458588215 823060029 /nfs/dbraw/zinc/06/00/29/823060029.db2.gz WEINMPCKCIBWAZ-PGRDOPGGSA-N 1 0 399.535 4.045 20 0 GIADRO Cc1nn(C)c(C)c1CCC[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000187419925 823060287 /nfs/dbraw/zinc/06/02/87/823060287.db2.gz PQJWZCLADZNWBE-LBPRGKRZSA-N 1 0 380.330 4.097 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1c(F)cc(C(F)(F)F)cc1F)c1ccco1 ZINC000570607770 823061424 /nfs/dbraw/zinc/06/14/24/823061424.db2.gz KZYUZWWEPHXTAL-CQSZACIVSA-N 1 0 390.352 4.390 20 0 GIADRO COc1cc(-c2nnc(C[NH2+][C@@H]3CCC(C)(C)C[C@@H]3C)o2)cc(OC)c1OC ZINC000120777357 823061893 /nfs/dbraw/zinc/06/18/93/823061893.db2.gz BFMNHRCDUOEIKB-DZGCQCFKSA-N 1 0 389.496 4.067 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1c[nH]c2cccc(F)c12 ZINC000120778198 823062043 /nfs/dbraw/zinc/06/20/43/823062043.db2.gz HZYFTEADSDBKAP-GOSISDBHSA-N 1 0 379.479 4.291 20 0 GIADRO CC(C)Oc1cccc([C@H](NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C(F)F)c1 ZINC000570623597 823063633 /nfs/dbraw/zinc/06/36/33/823063633.db2.gz YCAMHNFMEGZLDJ-ACRUOGEOSA-N 1 0 396.522 4.138 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000570629416 823064409 /nfs/dbraw/zinc/06/44/09/823064409.db2.gz DSGJVIZSIGTYFH-YWZLYKJASA-N 1 0 391.540 4.491 20 0 GIADRO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2cccc(CSc3ccccn3)c2)C1 ZINC000175894161 823065561 /nfs/dbraw/zinc/06/55/61/823065561.db2.gz WKQVBUFPLMMFGP-LJQANCHMSA-N 1 0 384.549 4.322 20 0 GIADRO C[C@@H](NC(=O)NC1CCC(C(F)F)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000458669621 823072370 /nfs/dbraw/zinc/07/23/70/823072370.db2.gz IAHMCJHACBQHEF-ZTRSQXPZSA-N 1 0 379.495 4.020 20 0 GIADRO COc1cccc([C@H]2C[C@H](N(C)C(=O)N[C@@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)C2)c1 ZINC000458646056 823069328 /nfs/dbraw/zinc/06/93/28/823069328.db2.gz YRUYZZTUEYBFSS-UTYWTXRGSA-N 1 0 399.579 4.236 20 0 GIADRO COc1cccc([C@H]2C[C@H](N(C)C(=O)N[C@@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)C2)c1 ZINC000458646052 823069423 /nfs/dbraw/zinc/06/94/23/823069423.db2.gz YRUYZZTUEYBFSS-UFGBVDADSA-N 1 0 399.579 4.236 20 0 GIADRO C[C@@H](c1ccco1)N(C)C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000175907576 823069771 /nfs/dbraw/zinc/06/97/71/823069771.db2.gz TWJYEXSTJGQJPN-IBGZPJMESA-N 1 0 399.535 4.053 20 0 GIADRO CCO[C@@H]1C[C@]([NH3+])(C(=O)Nc2ccc(N[C@@H](C)c3ccccc3)cc2)C1(C)C ZINC000187475917 823070775 /nfs/dbraw/zinc/07/07/75/823070775.db2.gz KZGWWRFBIMEWRN-YBVWCTEOSA-N 1 0 381.520 4.331 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(F)ccc2SCC(F)F)[C@H](C)C1 ZINC000120820484 823070807 /nfs/dbraw/zinc/07/08/07/823070807.db2.gz JDJAXOXTSQSQKM-IUODEOHRSA-N 1 0 389.487 4.377 20 0 GIADRO Cc1ccc(-c2c[nH]cc2C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)s1 ZINC000187477082 823071094 /nfs/dbraw/zinc/07/10/94/823071094.db2.gz OEIXTQQWSRNEBU-UHFFFAOYSA-N 1 0 380.517 4.056 20 0 GIADRO O=C(Nc1cc(Cl)ccc1OC1CCCC1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000570690352 823072267 /nfs/dbraw/zinc/07/22/67/823072267.db2.gz IOQIYUMXNRTVMH-FQEVSTJZSA-N 1 0 377.916 4.269 20 0 GIADRO COc1cncc(/C=C/CC[N@H+](C)Cc2ccc(OC(F)F)c(OC)c2)c1 ZINC000570679215 823071361 /nfs/dbraw/zinc/07/13/61/823071361.db2.gz IRDGLZYQVDXMES-GQCTYLIASA-N 1 0 378.419 4.236 20 0 GIADRO C[NH+](C)CC(C)(C)NC(=O)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000458662384 823071403 /nfs/dbraw/zinc/07/14/03/823071403.db2.gz AVMXSKOKFLGEBW-ZDUSSCGKSA-N 1 0 399.379 4.338 20 0 GIADRO Cc1csc([C@H](NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C2CC2)n1 ZINC000175919883 823072650 /nfs/dbraw/zinc/07/26/50/823072650.db2.gz SNYNFIXWSPJDAD-HXUWFJFHSA-N 1 0 398.576 4.114 20 0 GIADRO C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000570693675 823072851 /nfs/dbraw/zinc/07/28/51/823072851.db2.gz GDLWUXRHNTUKCA-HRAATJIYSA-N 1 0 386.923 4.046 20 0 GIADRO C[C@@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(OCC(F)(F)F)cc1 ZINC000175922448 823073531 /nfs/dbraw/zinc/07/35/31/823073531.db2.gz WMJICIAQZIPVBU-HZTRTUMWSA-N 1 0 399.457 4.003 20 0 GIADRO CC1CC[NH+](Cc2cccc(CNC(=O)N3CCC([C@H]4CCCO4)CC3)c2)CC1 ZINC000187488545 823073567 /nfs/dbraw/zinc/07/35/67/823073567.db2.gz NECDUJVWJLEGKP-HSZRJFAPSA-N 1 0 399.579 4.019 20 0 GIADRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)CCc1ccc(F)cc1F ZINC000120843204 823075036 /nfs/dbraw/zinc/07/50/36/823075036.db2.gz ZCDUMKVYHBROQD-UHFFFAOYSA-N 1 0 390.499 4.393 20 0 GIADRO Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000458708096 823077112 /nfs/dbraw/zinc/07/71/12/823077112.db2.gz PWWSFQRRMXHUOD-HKUYNNGSSA-N 1 0 383.458 4.116 20 0 GIADRO CCOCc1cccc(NC(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)c1 ZINC000175930985 823075852 /nfs/dbraw/zinc/07/58/52/823075852.db2.gz XAGKSIUNWOEVIO-IBGZPJMESA-N 1 0 381.520 4.351 20 0 GIADRO CCOc1ccccc1Oc1ccccc1C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000175932610 823076041 /nfs/dbraw/zinc/07/60/41/823076041.db2.gz VCIMLOVGGQJCQB-UHFFFAOYSA-N 1 0 382.504 4.480 20 0 GIADRO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]Cc1ccc(C(C)(C)O)cc1 ZINC000187500187 823076051 /nfs/dbraw/zinc/07/60/51/823076051.db2.gz BOPBPXZTNYQEOD-UHFFFAOYSA-N 1 0 385.458 4.285 20 0 GIADRO COc1cccc([C@H](CNC(=O)c2c[nH]cc2-c2ccc(C)s2)[NH+](C)C)c1 ZINC000187504478 823076663 /nfs/dbraw/zinc/07/66/63/823076663.db2.gz RPGLTXDDZVGGRR-IBGZPJMESA-N 1 0 383.517 4.093 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(Oc3ccc(OC)cc3)nc2)[C@H](C)C1 ZINC000120852043 823076692 /nfs/dbraw/zinc/07/66/92/823076692.db2.gz JYNPRELVAUNWPA-OXQOHEQNSA-N 1 0 398.507 4.077 20 0 GIADRO C[C@H](C[N@H+](C)Cc1ccccc1)NCc1csc(COc2ccccc2)n1 ZINC000570755731 823081461 /nfs/dbraw/zinc/08/14/61/823081461.db2.gz CYEPWZQIDGSQSR-GOSISDBHSA-N 1 0 381.545 4.332 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(C(F)(F)F)ccc1F ZINC000120860536 823078368 /nfs/dbraw/zinc/07/83/68/823078368.db2.gz NGYGAWAVZORMRY-MRXNPFEDSA-N 1 0 394.412 4.439 20 0 GIADRO C[C@@H](c1cccnc1)[N@H+](C)Cc1cc(Br)cc(Br)c1N ZINC000187516537 823079563 /nfs/dbraw/zinc/07/95/63/823079563.db2.gz JIAMDTWXTIPHNA-JTQLQIEISA-N 1 0 399.130 4.382 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCc3c(F)cccc3C2)[C@@H]1c1cccs1 ZINC000120874331 823080679 /nfs/dbraw/zinc/08/06/79/823080679.db2.gz VRYHLYVZKCIRMK-MGPUTAFESA-N 1 0 387.524 4.038 20 0 GIADRO CO[C@H](C)c1cccc(NC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000175956511 823081873 /nfs/dbraw/zinc/08/18/73/823081873.db2.gz ZHHIMVAJQWOHSU-UYAOXDASSA-N 1 0 381.520 4.380 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CN[C@@H](c1nc[nH]n1)c1ccccc1 ZINC000570756146 823081412 /nfs/dbraw/zinc/08/14/12/823081412.db2.gz UKPOQCKEADBZBJ-XMSQKQJNSA-N 1 0 375.520 4.058 20 0 GIADRO CC(C)Oc1ccc(NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000570765194 823083476 /nfs/dbraw/zinc/08/34/76/823083476.db2.gz WZMKDHNEWFTUDI-RTWAWAEBSA-N 1 0 393.531 4.460 20 0 GIADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)N1CC(c2ccc(Cl)cc2)C1)c1ccco1 ZINC000458780501 823084736 /nfs/dbraw/zinc/08/47/36/823084736.db2.gz VGOAFNKJZOYTDE-KSSFIOAISA-N 1 0 375.900 4.171 20 0 GIADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Nc1ccc2scnc2c1 ZINC000175975768 823086307 /nfs/dbraw/zinc/08/63/07/823086307.db2.gz MUMRNWOPJRMGSZ-UHFFFAOYSA-N 1 0 388.459 4.424 20 0 GIADRO c1ccn2c(c1)nnc2C1CC[NH+](Cc2ccccc2OCc2cccnc2)CC1 ZINC000120922313 823087205 /nfs/dbraw/zinc/08/72/05/823087205.db2.gz BJKGZUWYLPQWCM-UHFFFAOYSA-N 1 0 399.498 4.083 20 0 GIADRO CCOc1ccc2c(c1)[C@@H]([NH2+]Cc1c[nH]nc1-c1c(F)cccc1F)CCO2 ZINC000187552974 823087292 /nfs/dbraw/zinc/08/72/92/823087292.db2.gz UKJGFBHUZSNGSG-SFHVURJKSA-N 1 0 385.414 4.367 20 0 GIADRO Cc1cccc(C)c1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000056159674 823092190 /nfs/dbraw/zinc/09/21/90/823092190.db2.gz VBMYYNMULMMNGQ-SJORKVTESA-N 1 0 394.519 4.265 20 0 GIADRO Cc1ccc([C@H]([NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)C2CCC2)cc1 ZINC000187553739 823087533 /nfs/dbraw/zinc/08/75/33/823087533.db2.gz UMBWGCQCRFNZST-JOCHJYFZSA-N 1 0 384.545 4.166 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(OCc2cccnc2)cc1)C(=O)Nc1ccccc1 ZINC000056144394 823087925 /nfs/dbraw/zinc/08/79/25/823087925.db2.gz BHKRKEUJKRSLRF-ZWKOTPCHSA-N 1 0 375.472 4.338 20 0 GIADRO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(NC(=O)NC3CC3)cc2)cc1F ZINC000056159651 823092236 /nfs/dbraw/zinc/09/22/36/823092236.db2.gz OPKSRODEMNJNQL-HUUCEWRRSA-N 1 0 398.482 4.096 20 0 GIADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]Cc1ccccc1Br ZINC000120933461 823088664 /nfs/dbraw/zinc/08/86/64/823088664.db2.gz IVRIXKARSRMJLJ-LLVKDONJSA-N 1 0 382.689 4.004 20 0 GIADRO Cc1ncsc1CC[NH2+]C[C@H](O)CO[C@H](c1ccccc1)c1ccccc1C ZINC000570795612 823088693 /nfs/dbraw/zinc/08/86/93/823088693.db2.gz ZZACIGHJRPRGLN-NZQKXSOJSA-N 1 0 396.556 4.059 20 0 GIADRO COc1ccccc1C[C@@H](C)N(Cc1ccccc1)C(=O)c1coc(C[NH3+])c1 ZINC000187564612 823089106 /nfs/dbraw/zinc/08/91/06/823089106.db2.gz OCIONXBMWDBBGJ-QGZVFWFLSA-N 1 0 378.472 4.021 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)C2(c3cc(F)cc(C(F)(F)F)c3)CC2)c1 ZINC000187565449 823089390 /nfs/dbraw/zinc/08/93/90/823089390.db2.gz GESUMZZITWQONC-UHFFFAOYSA-N 1 0 394.412 4.254 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cc(Br)c(C)cc2C)C1 ZINC000187567867 823089874 /nfs/dbraw/zinc/08/98/74/823089874.db2.gz GOORDBZHPCOMLW-OAHLLOKOSA-N 1 0 382.346 4.262 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCC(C)CC1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000056153257 823090096 /nfs/dbraw/zinc/09/00/96/823090096.db2.gz AMKUDBDJFPPHDA-MOPGFXCFSA-N 1 0 393.531 4.237 20 0 GIADRO C[C@H](NC(=O)Cc1nc(-c2ccc(F)cc2)cs1)[C@@H](c1ccccc1)[NH+](C)C ZINC000187570425 823090241 /nfs/dbraw/zinc/09/02/41/823090241.db2.gz BVDXSPFAQKWEJN-NYHFZMIOSA-N 1 0 397.519 4.299 20 0 GIADRO CCOc1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1cc(OC)c(OC)cc1C ZINC000056153903 823090411 /nfs/dbraw/zinc/09/04/11/823090411.db2.gz ZUQPRZNCEGOTKS-HZPDHXFCSA-N 1 0 386.492 4.089 20 0 GIADRO COc1cc(C[NH2+]Cc2c[nH]nc2-c2ccc(C)o2)ccc1OCC(F)(F)F ZINC000120943878 823090600 /nfs/dbraw/zinc/09/06/00/823090600.db2.gz HXMUGGAHXQKOIH-UHFFFAOYSA-N 1 0 395.381 4.218 20 0 GIADRO CCCOc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2c(F)cccc2F)cc1OC ZINC000056161846 823092824 /nfs/dbraw/zinc/09/28/24/823092824.db2.gz SHPZUFHDDYXSEL-UONOGXRCSA-N 1 0 392.446 4.440 20 0 GIADRO CCCOc1ccc([C@@H](C)[NH2+]Cc2cc(=O)oc3c(C)c(O)ccc23)cc1OC ZINC000056161945 823092934 /nfs/dbraw/zinc/09/29/34/823092934.db2.gz LZAKFEGMUWEOFC-OAHLLOKOSA-N 1 0 397.471 4.455 20 0 GIADRO CCCOc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cc(F)ccc2F)cc1OC ZINC000056161927 823092961 /nfs/dbraw/zinc/09/29/61/823092961.db2.gz BVAUGMXNHIKFJF-KGLIPLIRSA-N 1 0 392.446 4.440 20 0 GIADRO C[NH+](C)CCN(Cc1cccs1)C(=O)Nc1ccc(F)cc1OC(F)F ZINC000176020316 823097661 /nfs/dbraw/zinc/09/76/61/823097661.db2.gz AJAHFGJESYZPDF-UHFFFAOYSA-N 1 0 387.427 4.084 20 0 GIADRO COc1ccc(-c2csc3ncnc(N4CC[C@H]([NH+]5CCCC5)[C@@H]4C)c23)cc1 ZINC000570834242 823093361 /nfs/dbraw/zinc/09/33/61/823093361.db2.gz GARAYIBXCIRSPD-KXBFYZLASA-N 1 0 394.544 4.430 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccc(Br)s2)C1 ZINC000056168324 823094824 /nfs/dbraw/zinc/09/48/24/823094824.db2.gz NHWIQPVEFAPLHN-OCCSQVGLSA-N 1 0 379.323 4.076 20 0 GIADRO COc1cc([C@H](C)[NH2+]Cc2ccc(C(C)(C)C)cc2)ccc1S(C)(=O)=O ZINC000120969908 823095290 /nfs/dbraw/zinc/09/52/90/823095290.db2.gz DNBLZEGXPLWHKF-HNNXBMFYSA-N 1 0 375.534 4.247 20 0 GIADRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)C/C=C/c1ccc(F)cc1)c1ccccc1O2 ZINC000176011875 823095390 /nfs/dbraw/zinc/09/53/90/823095390.db2.gz ZJYABSPWMBBQCU-KTBYTZPXSA-N 1 0 394.490 4.333 20 0 GIADRO O=C(CC[N@H+](Cc1ccco1)C1CCCC1)Nc1ccc(N2CCCC2=O)cc1 ZINC000120974119 823095444 /nfs/dbraw/zinc/09/54/44/823095444.db2.gz YZLHUYZSLYUMNP-UHFFFAOYSA-N 1 0 395.503 4.180 20 0 GIADRO CCOc1cccc([C@@H](C)NC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000176012193 823095443 /nfs/dbraw/zinc/09/54/43/823095443.db2.gz LVQNGTPPYNKLGO-CTNGQTDRSA-N 1 0 395.547 4.310 20 0 GIADRO C[C@H](c1nc2ccccc2s1)N(C)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000176012563 823095707 /nfs/dbraw/zinc/09/57/07/823095707.db2.gz XFHDJXUGAGDNNU-OAHLLOKOSA-N 1 0 386.565 4.406 20 0 GIADRO Cc1cccnc1[C@H]([NH2+][C@H](C)C(=O)N(C)Cc1nc2ccccc2s1)C(C)C ZINC000120979258 823096382 /nfs/dbraw/zinc/09/63/82/823096382.db2.gz DUFDAUSCEDSCFI-OXQOHEQNSA-N 1 0 396.560 4.334 20 0 GIADRO O=C(Nc1cc(F)c(F)c(F)c1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000570889911 823102749 /nfs/dbraw/zinc/10/27/49/823102749.db2.gz XYYOMBLCBWNHMF-HOTGVXAUSA-N 1 0 389.421 4.090 20 0 GIADRO O=C(Nc1cc(F)c(F)c(F)c1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000570889910 823102822 /nfs/dbraw/zinc/10/28/22/823102822.db2.gz XYYOMBLCBWNHMF-CVEARBPZSA-N 1 0 389.421 4.090 20 0 GIADRO O=C(N[C@H]1C[C@H](c2ccccc2Cl)C1)N1CCC([NH+]2CCCCC2)CC1 ZINC000458865725 823099276 /nfs/dbraw/zinc/09/92/76/823099276.db2.gz NBTZFQIQHKUCKM-QAQDUYKDSA-N 1 0 375.944 4.246 20 0 GIADRO C[C@H](Cc1ccc(Cl)cc1)[N@H+](C)Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000120998530 823099934 /nfs/dbraw/zinc/09/99/34/823099934.db2.gz HGIOBRDHPKZTKA-CYBMUJFWSA-N 1 0 381.863 4.386 20 0 GIADRO C[NH+](C)CCN(Cc1cccs1)C(=O)Nc1ccc2nc(C3CC3)oc2c1 ZINC000176029915 823100081 /nfs/dbraw/zinc/10/00/81/823100081.db2.gz ZDKKSXKJOAOYED-UHFFFAOYSA-N 1 0 384.505 4.362 20 0 GIADRO CCN(C(=O)NC[C@H](c1ccc(SC)cc1)[NH+](C)C)[C@H]1CCOC(C)(C)C1 ZINC000458878930 823100676 /nfs/dbraw/zinc/10/06/76/823100676.db2.gz BVMOIJBAPDWMAQ-PKOBYXMFSA-N 1 0 393.597 4.000 20 0 GIADRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)c1sc(-c2ccc(C)o2)nc1C)c1ccco1 ZINC000570879398 823100937 /nfs/dbraw/zinc/10/09/37/823100937.db2.gz POJDERJCLIULKK-DOMZBBRYSA-N 1 0 387.505 4.472 20 0 GIADRO Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H](c2ccco2)N2CCCCC2)c1C ZINC000121003758 823101119 /nfs/dbraw/zinc/10/11/19/823101119.db2.gz GFCQCACZXMNTBD-GHTZIAJQSA-N 1 0 383.536 4.430 20 0 GIADRO CSc1ccc([C@H](CNC(=O)N(C)C2CCC(F)(F)CC2)[NH+](C)C)cc1 ZINC000458883978 823101614 /nfs/dbraw/zinc/10/16/14/823101614.db2.gz FUKMJXQGMLKSJJ-KRWDZBQOSA-N 1 0 385.524 4.231 20 0 GIADRO CCC(C)(C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000056207116 823103193 /nfs/dbraw/zinc/10/31/93/823103193.db2.gz BHDLEOLORFTACZ-HZPDHXFCSA-N 1 0 399.510 4.422 20 0 GIADRO C[C@@H](NC(=O)N(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)c1cccc(C2CC2)c1 ZINC000458902753 823104128 /nfs/dbraw/zinc/10/41/28/823104128.db2.gz LKHZOPLFKZXRGJ-VSDWSMLSSA-N 1 0 392.547 4.354 20 0 GIADRO CSc1ccc([C@H](CNC(=O)N(C)Cc2ccc(C)s2)[NH+](C)C)cc1 ZINC000458905193 823104427 /nfs/dbraw/zinc/10/44/27/823104427.db2.gz VDVYCOTYZVNVIK-SFHVURJKSA-N 1 0 377.579 4.223 20 0 GIADRO CSc1ccc([C@H](CNC(=O)N(C)[C@H](C)c2cccs2)[NH+](C)C)cc1 ZINC000458909080 823105075 /nfs/dbraw/zinc/10/50/75/823105075.db2.gz YANUCOUTXADZAN-PBHICJAKSA-N 1 0 377.579 4.475 20 0 GIADRO C[C@H](Nc1ccc(CC[NH+]2CCCCC2)cc1)C(=O)Nc1c(F)cccc1F ZINC000056216109 823105185 /nfs/dbraw/zinc/10/51/85/823105185.db2.gz DSQKXGZYRGNMAL-INIZCTEOSA-N 1 0 387.474 4.432 20 0 GIADRO CN(c1ccccc1NC(=O)N(CC[NH+](C)C)Cc1ccccn1)C1CCCC1 ZINC000121028529 823105660 /nfs/dbraw/zinc/10/56/60/823105660.db2.gz XNNRZMSEDAPYPN-UHFFFAOYSA-N 1 0 395.551 4.056 20 0 GIADRO C[N@@H+]1CC[C@H](CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)C1 ZINC000187658588 823107239 /nfs/dbraw/zinc/10/72/39/823107239.db2.gz FVIMJSXUGCRBRE-AWEZNQCLSA-N 1 0 385.924 4.027 20 0 GIADRO Cc1cc(-c2nnc(N3CC[N@@H+]4CCCC[C@H]4C3)n2C(C)C)c2ccccc2n1 ZINC000570917442 823107462 /nfs/dbraw/zinc/10/74/62/823107462.db2.gz COSXMNHNQMVXOX-SFHVURJKSA-N 1 0 390.535 4.057 20 0 GIADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000176052851 823107646 /nfs/dbraw/zinc/10/76/46/823107646.db2.gz IHUDMUJJBNCPBY-QRWLVFNGSA-N 1 0 387.474 4.036 20 0 GIADRO Cc1sc(NC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])nc1-c1c[nH]c2ncccc12 ZINC000570919809 823107851 /nfs/dbraw/zinc/10/78/51/823107851.db2.gz JLPZGYUXVHQJFX-ZBFHGGJFSA-N 1 0 383.521 4.231 20 0 GIADRO CC[C@H]1CCCC[C@@H]1CNC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458940827 823109355 /nfs/dbraw/zinc/10/93/55/823109355.db2.gz LPNYKYIRTNCJNI-JKSUJKDBSA-N 1 0 377.495 4.261 20 0 GIADRO CC[C@@H]1CCCC[C@H]1CNC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458940824 823109466 /nfs/dbraw/zinc/10/94/66/823109466.db2.gz LPNYKYIRTNCJNI-CVEARBPZSA-N 1 0 377.495 4.261 20 0 GIADRO O=C(Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000570950965 823111270 /nfs/dbraw/zinc/11/12/70/823111270.db2.gz PCRZUKSAJAZEDQ-OYDLWJJNSA-N 1 0 386.495 4.149 20 0 GIADRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2[nH]c3ccc(Cl)cc3c2Cl)C[C@@H](C)C1 ZINC000570954511 823111915 /nfs/dbraw/zinc/11/19/15/823111915.db2.gz OSXXKFZQPHRPOY-OZVIIMIRSA-N 1 0 380.319 4.277 20 0 GIADRO O=C(C[N@@H+]1CCC[C@H]1[C@H]1CCCOC1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000570958869 823111932 /nfs/dbraw/zinc/11/19/32/823111932.db2.gz PYXBWGUXAGVCGO-LRDDRELGSA-N 1 0 390.833 4.188 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](c2ccc(F)c(Cl)c2)C2CC2)C[C@@H]1C ZINC000458975187 823112376 /nfs/dbraw/zinc/11/23/76/823112376.db2.gz AROQGAPSUSVNHM-IYJAJMOOSA-N 1 0 381.923 4.444 20 0 GIADRO CCc1ccc(C[C@@H](Cc2ccc(Cl)cc2)[NH2+]C2CCN(C(C)=O)CC2)nc1 ZINC000570966228 823113033 /nfs/dbraw/zinc/11/30/33/823113033.db2.gz SSFZYISMPAOWMU-HSZRJFAPSA-N 1 0 399.966 4.052 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@@H](C)C[C@@H](O)c2ccc(F)cc2)cc1Cn1cccn1 ZINC000121073411 823113139 /nfs/dbraw/zinc/11/31/39/823113139.db2.gz VDBKDJRRTWPUPS-PNLZDCPESA-N 1 0 397.494 4.242 20 0 GIADRO NC(=O)c1ccc(C[NH2+][C@H](c2ccc(Br)cc2Cl)C2CC2)cc1 ZINC000187690728 823113675 /nfs/dbraw/zinc/11/36/75/823113675.db2.gz FZWRQMBQRUBTKJ-KRWDZBQOSA-N 1 0 393.712 4.442 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)NCc2ccc(F)c(Cl)c2)CC1 ZINC000176081111 823114544 /nfs/dbraw/zinc/11/45/44/823114544.db2.gz FEPWFNZGEHJNNO-UHFFFAOYSA-N 1 0 389.902 4.285 20 0 GIADRO CCN(C(=O)NC[C@@H]1CCOC2(CCC2)C1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000459036612 823119328 /nfs/dbraw/zinc/11/93/28/823119328.db2.gz ZXFZEOXALHSCKV-KCZVDYSFSA-N 1 0 399.579 4.203 20 0 GIADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)N[C@H](c3ccc(F)c(Cl)c3)C3CC3)CC[C@@H]21 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IRZPGHIKHRQGKV-HNNXBMFYSA-N 1 0 399.354 4.078 20 0 GIADRO Cc1csc(CNC(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000459024940 823118356 /nfs/dbraw/zinc/11/83/56/823118356.db2.gz QNAXYOBLQBHAPW-UHFFFAOYSA-N 1 0 383.561 4.254 20 0 GIADRO CCCn1ncc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)c1C1CC1 ZINC000121101606 823118898 /nfs/dbraw/zinc/11/88/98/823118898.db2.gz UXLMNNGNRKWTOQ-UHFFFAOYSA-N 1 0 380.536 4.086 20 0 GIADRO C[C@H]1CN(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)[C@@H]1c1ccccc1 ZINC000176100569 823120263 /nfs/dbraw/zinc/12/02/63/823120263.db2.gz RXUIOYQAUQAWQF-UWJYYQICSA-N 1 0 383.561 4.363 20 0 GIADRO Cc1cc(C)c(NC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)c(C)n1 ZINC000121110397 823120309 /nfs/dbraw/zinc/12/03/09/823120309.db2.gz AJJDYQCWUNUVTK-UHFFFAOYSA-N 1 0 385.423 4.060 20 0 GIADRO C[C@H]1C[C@@H](NC(=O)c2sccc2Br)CC[N@@H+]1Cc1ccccc1 ZINC000176101478 823120778 /nfs/dbraw/zinc/12/07/78/823120778.db2.gz REAKNZJKVVFEEU-ZFWWWQNUSA-N 1 0 393.350 4.294 20 0 GIADRO Cc1ccn(-c2ccccc2C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)n1 ZINC000571016430 823120759 /nfs/dbraw/zinc/12/07/59/823120759.db2.gz NKLANXSFISAPGX-UTKZUKDTSA-N 1 0 394.544 4.055 20 0 GIADRO C[C@H]1C[C@@H](NC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)CC[N@@H+]1Cc1ccccc1 ZINC000176101752 823120841 /nfs/dbraw/zinc/12/08/41/823120841.db2.gz SAFDSPUILZJYEN-PXNSSMCTSA-N 1 0 394.563 4.298 20 0 GIADRO COc1ccc2c(CC(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)coc2c1 ZINC000176102720 823121165 /nfs/dbraw/zinc/12/11/65/823121165.db2.gz HPGCOFLUENBEGH-YLJYHZDGSA-N 1 0 392.499 4.153 20 0 GIADRO COCCCCC(=O)Nc1ccc(C[NH+]2CCN(c3cccc(C)c3)CC2)cc1 ZINC000121115126 823121257 /nfs/dbraw/zinc/12/12/57/823121257.db2.gz VKPXFBUMPRYKEM-UHFFFAOYSA-N 1 0 395.547 4.072 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)c2cc(F)c(F)cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000176112939 823124456 /nfs/dbraw/zinc/12/44/56/823124456.db2.gz AVJSONFVCSRHMJ-HIFRSBDPSA-N 1 0 378.850 4.401 20 0 GIADRO CC[NH2+]Cc1ccccc1NC(=O)N[C@H]1CCCc2cn(C3CCCC3)nc21 ZINC000571027924 823122198 /nfs/dbraw/zinc/12/21/98/823122198.db2.gz WQRYFWIDFXGCON-FQEVSTJZSA-N 1 0 381.524 4.307 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)N(Cc1cc(F)ccc1F)C1CCCC1 ZINC000459070776 823123919 /nfs/dbraw/zinc/12/39/19/823123919.db2.gz BEZZLSGQQCLFLR-UHFFFAOYSA-N 1 0 391.506 4.436 20 0 GIADRO COC1(C(=O)N[C@@H](C)c2ccc(-c3ccc(Cl)cc3)s2)CC[NH2+]CC1 ZINC000571047685 823124986 /nfs/dbraw/zinc/12/49/86/823124986.db2.gz HDYVSIXYKVMOQY-ZDUSSCGKSA-N 1 0 378.925 4.014 20 0 GIADRO CC(C)c1[nH+]c(CNc2ccc(C(N)=O)c(N3CCCCC3)c2)c2ccccn21 ZINC000571052240 823125344 /nfs/dbraw/zinc/12/53/44/823125344.db2.gz QYCUFWHMVJDMSW-UHFFFAOYSA-N 1 0 391.519 4.159 20 0 GIADRO COC1(C(=O)N[C@H](C)c2ccc(-c3ccc(Cl)cc3)s2)CC[NH2+]CC1 ZINC000571047684 823124849 /nfs/dbraw/zinc/12/48/49/823124849.db2.gz HDYVSIXYKVMOQY-CYBMUJFWSA-N 1 0 378.925 4.014 20 0 GIADRO [NH3+]CCC1CCN(C(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)CC1 ZINC000571056772 823126278 /nfs/dbraw/zinc/12/62/78/823126278.db2.gz OWQREVZAKMCCLF-UHFFFAOYSA-N 1 0 398.359 4.247 20 0 GIADRO C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000571070029 823127740 /nfs/dbraw/zinc/12/77/40/823127740.db2.gz BSKYYVJQRCJSNX-KSSFIOAISA-N 1 0 390.936 4.026 20 0 GIADRO O=C(CSc1nc2ccccc2o1)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000056326620 823128558 /nfs/dbraw/zinc/12/85/58/823128558.db2.gz GRSFAHXEJBFXLZ-UHFFFAOYSA-N 1 0 381.501 4.197 20 0 GIADRO CC(C)Oc1ccc([C@@H](CNC(=O)c2c(F)cccc2Cl)[NH+](C)C)cc1 ZINC000571078347 823128846 /nfs/dbraw/zinc/12/88/46/823128846.db2.gz KSZCNXPXAAOQQZ-GOSISDBHSA-N 1 0 378.875 4.299 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)N(Cc1ccc(F)cc1F)C1CCCC1 ZINC000459118676 823130328 /nfs/dbraw/zinc/13/03/28/823130328.db2.gz WGQFTCLPGDHEMW-UHFFFAOYSA-N 1 0 391.506 4.436 20 0 GIADRO CCCCc1oc2ccccc2c1CN(C)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000121157867 823129534 /nfs/dbraw/zinc/12/95/34/823129534.db2.gz OZWFGJPUKMLYNC-KRWDZBQOSA-N 1 0 383.536 4.401 20 0 GIADRO CCO[C@H]1C[C@@]([NH3+])(C(=O)Nc2cccc(OCc3ccccc3C)c2)C1(C)C ZINC000187771651 823129618 /nfs/dbraw/zinc/12/96/18/823129618.db2.gz VHIAAKCSBGZCNU-NZQKXSOJSA-N 1 0 382.504 4.045 20 0 GIADRO CC(C)(Cc1ccc(C(F)(F)F)cc1)NC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000459116982 823130406 /nfs/dbraw/zinc/13/04/06/823130406.db2.gz UUMSFQSDQLWPNH-UHFFFAOYSA-N 1 0 397.485 4.343 20 0 GIADRO COc1ccccc1CN(C(=O)NC1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000056341377 823131517 /nfs/dbraw/zinc/13/15/17/823131517.db2.gz BUQQBLGGEVHTLV-UHFFFAOYSA-N 1 0 393.531 4.034 20 0 GIADRO CCN(CC)C(=O)c1ccccc1NC(=O)c1ccc(C[NH+](CC)CC)cc1 ZINC000056347863 823132484 /nfs/dbraw/zinc/13/24/84/823132484.db2.gz ZEMLTXIUKFTYMV-UHFFFAOYSA-N 1 0 381.520 4.263 20 0 GIADRO C[C@H]1C[C@H](NC(=O)Cc2coc(-c3cccs3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000176135185 823132631 /nfs/dbraw/zinc/13/26/31/823132631.db2.gz WLVIPOCRVGLAMF-FUHWJXTLSA-N 1 0 395.528 4.115 20 0 GIADRO C[C@H](NC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccn2)CC1)[C@@H]1CCC[C@@H](C)C1 ZINC000459133209 823132948 /nfs/dbraw/zinc/13/29/48/823132948.db2.gz CCOGXCJLJUJFIH-XAPVIXHLSA-N 1 0 386.584 4.292 20 0 GIADRO C[C@H]([NH2+]C[C@@H](c1ccccc1Cl)N(C)C)c1ccc(Br)cn1 ZINC000571108075 823133182 /nfs/dbraw/zinc/13/31/82/823133182.db2.gz BFSNLDKJLRUMII-SJCJKPOMSA-N 1 0 382.733 4.451 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](c1ccccc1Cl)N(C)C)c1ccc(Br)cn1 ZINC000571108074 823133255 /nfs/dbraw/zinc/13/32/55/823133255.db2.gz BFSNLDKJLRUMII-PXAZEXFGSA-N 1 0 382.733 4.451 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(N[C@@H](c2ncc[nH]2)c2ccc(F)cc2)CC1 ZINC000187787768 823133282 /nfs/dbraw/zinc/13/32/82/823133282.db2.gz KOUGXJMVWMQSLI-JOCHJYFZSA-N 1 0 378.495 4.201 20 0 GIADRO CN(CCC1CCOCC1)Cn1nc(-c2cccs2)n(C2CC2)c1=S ZINC000121180800 823133532 /nfs/dbraw/zinc/13/35/32/823133532.db2.gz RVQUHDDHPXZYIQ-UHFFFAOYSA-N 1 0 378.567 4.183 20 0 GIADRO C[NH+]1CCC2(CCCN2C(=O)N[C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000459142351 823134394 /nfs/dbraw/zinc/13/43/94/823134394.db2.gz OVGLBIVZCDJOKU-IEBWSBKVSA-N 1 0 375.944 4.246 20 0 GIADRO C[NH+]1CCC2(CCCN2C(=O)N[C@H]2CC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000459142350 823134443 /nfs/dbraw/zinc/13/44/43/823134443.db2.gz OVGLBIVZCDJOKU-HKUYNNGSSA-N 1 0 375.944 4.246 20 0 GIADRO C[NH+](C)CCN(Cc1ccco1)C(=O)c1ccc(Oc2ccncc2)c(Cl)c1 ZINC000121196543 823136741 /nfs/dbraw/zinc/13/67/41/823136741.db2.gz XZGALLVZZOIESZ-UHFFFAOYSA-N 1 0 399.878 4.324 20 0 GIADRO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000121193753 823135998 /nfs/dbraw/zinc/13/59/98/823135998.db2.gz HGYGQIAYOBCALZ-GOSISDBHSA-N 1 0 383.927 4.304 20 0 GIADRO CC[N@H+](CC(=O)N[C@H](c1nccs1)c1ccccc1)[C@@H](C)Cc1ccsc1 ZINC000187803914 823136991 /nfs/dbraw/zinc/13/69/91/823136991.db2.gz QFHPQFRCNPTIFH-JXFKEZNVSA-N 1 0 399.585 4.363 20 0 GIADRO C[C@H](NC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)c1c(F)cccc1Cl ZINC000176153053 823137458 /nfs/dbraw/zinc/13/74/58/823137458.db2.gz WXAUBFRCAWSDCN-AWEZNQCLSA-N 1 0 393.890 4.439 20 0 GIADRO CCN(C(=O)N[C@@H](C)c1cncc(F)c1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000459171698 823137865 /nfs/dbraw/zinc/13/78/65/823137865.db2.gz MGQABLCTYADCCY-CSODHUTKSA-N 1 0 384.499 4.149 20 0 GIADRO C[N@H+](CCCCNC(=O)N1Cc2ccccc2C[C@H]1c1ccccc1)C1CC1 ZINC000459173680 823138210 /nfs/dbraw/zinc/13/82/10/823138210.db2.gz ZJAREICITQWUJS-QHCPKHFHSA-N 1 0 377.532 4.370 20 0 GIADRO Cc1ccc(C(=O)N2CCC([NH2+]CCCCCOc3ccccc3)CC2)cc1 ZINC000187810090 823138359 /nfs/dbraw/zinc/13/83/59/823138359.db2.gz BUZCBRWMWFUYDL-UHFFFAOYSA-N 1 0 380.532 4.439 20 0 GIADRO O=C(NCC1CC[NH+](C2CC2)CC1)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000571132227 823138395 /nfs/dbraw/zinc/13/83/95/823138395.db2.gz KWONBGLNJBCNRG-JOCHJYFZSA-N 1 0 380.536 4.279 20 0 GIADRO CC[C@@H](C)[N@H+](CCCc1cccc(OC)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000121208278 823138946 /nfs/dbraw/zinc/13/89/46/823138946.db2.gz OIEADURCKRBUSW-QGZVFWFLSA-N 1 0 379.504 4.165 20 0 GIADRO Fc1ccc([C@H]([NH2+]CC2(c3ccc(F)cc3)CCOCC2)c2ncc[nH]2)cc1 ZINC000187827045 823141171 /nfs/dbraw/zinc/14/11/71/823141171.db2.gz CKKKZJGIFPCKIE-FQEVSTJZSA-N 1 0 383.442 4.115 20 0 GIADRO C[C@@H](CCCc1cccnc1)NC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000459194266 823141525 /nfs/dbraw/zinc/14/15/25/823141525.db2.gz DRBZTNJHYZNMTH-LEWJYISDSA-N 1 0 394.563 4.099 20 0 GIADRO CC(C)c1ccc([C@H](NC(=O)N2CC[NH+](C3CCOCC3)CC2)C(C)C)cc1 ZINC000176167487 823141522 /nfs/dbraw/zinc/14/15/22/823141522.db2.gz XBTRGWKTVUPAEX-JOCHJYFZSA-N 1 0 387.568 4.013 20 0 GIADRO COC(=O)c1csc([C@@H](C)[NH2+][C@H]2CCCN(c3ccccc3Cl)C2=O)c1 ZINC000571152652 823141697 /nfs/dbraw/zinc/14/16/97/823141697.db2.gz NYXYUBMFFWAAJA-DOMZBBRYSA-N 1 0 392.908 4.034 20 0 GIADRO OC1(C(F)(F)F)CCC([NH2+]C/C=C/c2ccc(Br)cc2)CC1 ZINC000571156712 823141925 /nfs/dbraw/zinc/14/19/25/823141925.db2.gz QRMJFARPQQVSJJ-OWOJBTEDSA-N 1 0 378.232 4.288 20 0 GIADRO C[C@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000459201770 823143187 /nfs/dbraw/zinc/14/31/87/823143187.db2.gz SWXIYMQVURFWBE-CQSZACIVSA-N 1 0 390.409 4.126 20 0 GIADRO O=C(NCc1ccc2c[nH+]cn2c1)N(Cc1ccc(F)cc1Cl)CC1CC1 ZINC000459201968 823143245 /nfs/dbraw/zinc/14/32/45/823143245.db2.gz UWACJHLZSYQCFS-UHFFFAOYSA-N 1 0 386.858 4.249 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)c3nc(C(C)C)oc3C)C2)s1 ZINC000571170976 823143843 /nfs/dbraw/zinc/14/38/43/823143843.db2.gz BMQXLAOKBLRCHE-MRXNPFEDSA-N 1 0 375.538 4.070 20 0 GIADRO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cc3cc(Br)ccc3o2)C1 ZINC000571179017 823144842 /nfs/dbraw/zinc/14/48/42/823144842.db2.gz FGZNWOYZUIKRSX-YGHRGLEHSA-N 1 0 384.339 4.365 20 0 GIADRO O=C(N[C@H](CCc1ccccc1)c1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000056382262 823140526 /nfs/dbraw/zinc/14/05/26/823140526.db2.gz WYBRKTKZVQJOFG-HSZRJFAPSA-N 1 0 377.532 4.287 20 0 GIADRO O=C(NCC[N@@H+]1CCc2ccccc2C1)N[C@@H](CC(F)(F)F)c1ccccc1 ZINC000056381385 823140541 /nfs/dbraw/zinc/14/05/41/823140541.db2.gz OAWMBEIAMOFQPP-IBGZPJMESA-N 1 0 391.437 4.038 20 0 GIADRO N#Cc1cccc(COc2cccc(C[NH2+]C[C@H](O)c3ccccc3F)c2)c1 ZINC000121216612 823140660 /nfs/dbraw/zinc/14/06/60/823140660.db2.gz HTBDECUYPTVECP-QHCPKHFHSA-N 1 0 376.431 4.100 20 0 GIADRO C[NH+](C)Cc1cccc(C(=O)N2CCCCC[C@@H]2CC(=O)c2ccccc2)c1 ZINC000176201124 823151016 /nfs/dbraw/zinc/15/10/16/823151016.db2.gz XSCJMLIIQYWLMM-JOCHJYFZSA-N 1 0 378.516 4.406 20 0 GIADRO C[C@H](C[C@@H](O)c1cccs1)[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000121244784 823146361 /nfs/dbraw/zinc/14/63/61/823146361.db2.gz GDKURQKFDJFJAH-DNVCBOLYSA-N 1 0 378.969 4.468 20 0 GIADRO C[C@@H](CCCc1cccnc1)NC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000459219941 823146763 /nfs/dbraw/zinc/14/67/63/823146763.db2.gz RJFFPFFSMKWATJ-NZQKXSOJSA-N 1 0 394.563 4.099 20 0 GIADRO CSCC[C@H](CO)[NH2+][C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000571201049 823147715 /nfs/dbraw/zinc/14/77/15/823147715.db2.gz GYNUNWPGCIIGFV-MLGOLLRUSA-N 1 0 383.355 4.011 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc(C(=O)N(C)C)c(Cl)c2)cc1 ZINC000056436904 823148899 /nfs/dbraw/zinc/14/88/99/823148899.db2.gz RSUDQBLTIDWEIB-UHFFFAOYSA-N 1 0 387.911 4.136 20 0 GIADRO C[C@H](CCCc1cccnc1)NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000459235124 823149466 /nfs/dbraw/zinc/14/94/66/823149466.db2.gz FSRGWNOSBBFWOH-HXUWFJFHSA-N 1 0 394.563 4.099 20 0 GIADRO C[N@@H+]1CCC[C@H](CCNC(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)C1 ZINC000459248575 823151377 /nfs/dbraw/zinc/15/13/77/823151377.db2.gz DOQVYKZBBRELCL-OAHLLOKOSA-N 1 0 383.458 4.111 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)N[C@@H]1CCSc2ccccc21 ZINC000056441388 823149817 /nfs/dbraw/zinc/14/98/17/823149817.db2.gz XKAYKKCJBLWMJI-HXUWFJFHSA-N 1 0 399.535 4.326 20 0 GIADRO C[C@H](CCCc1cccnc1)NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000459242304 823150258 /nfs/dbraw/zinc/15/02/58/823150258.db2.gz LAVVFXMSDDPZLG-IRLDBZIGSA-N 1 0 386.584 4.090 20 0 GIADRO C[N@@H+]1CCC[C@H](CCNC(=O)N2CCC[C@@H]2c2cccc(Br)c2)C1 ZINC000459249437 823151540 /nfs/dbraw/zinc/15/15/40/823151540.db2.gz FENZXRAESGHHHN-CRAIPNDOSA-N 1 0 394.357 4.028 20 0 GIADRO C[C@H]([NH2+]C1CCC(CS(C)(=O)=O)CC1)c1cc(F)c(Cl)cc1Cl ZINC000571230205 823152157 /nfs/dbraw/zinc/15/21/57/823152157.db2.gz SOUWUOLBADDEKC-UNXYVOJBSA-N 1 0 382.328 4.387 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC1CCC(C(F)F)CC1 ZINC000459253923 823152242 /nfs/dbraw/zinc/15/22/42/823152242.db2.gz MYCBPCZNNXAGQA-HDYDNRTBSA-N 1 0 393.522 4.364 20 0 GIADRO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@@H+]1CC[C@@](C)(O)C1 ZINC000571231627 823152484 /nfs/dbraw/zinc/15/24/84/823152484.db2.gz VLXZCSUKPLYQAC-JOCHJYFZSA-N 1 0 381.451 4.069 20 0 GIADRO COc1cc([C@@H](C)[NH2+]C2CCN(Cc3ccsc3)CC2)cc(OC)c1OC ZINC000121278160 823153412 /nfs/dbraw/zinc/15/34/12/823153412.db2.gz VIOOORFQYYQRAT-OAHLLOKOSA-N 1 0 390.549 4.089 20 0 GIADRO C[N@@H+]1CCC[C@@H](CCNC(=O)N2CCc3sccc3[C@H]2c2cccs2)C1 ZINC000459266035 823153761 /nfs/dbraw/zinc/15/37/61/823153761.db2.gz OYLNZONWUQBLPY-KXBFYZLASA-N 1 0 389.590 4.199 20 0 GIADRO COc1cncc(C[NH2+][C@H](Cc2ccc(OC)c(OC)c2)c2ccccc2)c1 ZINC000571239618 823153732 /nfs/dbraw/zinc/15/37/32/823153732.db2.gz GZOOTZPCMWTUEY-OAQYLSRUSA-N 1 0 378.472 4.181 20 0 GIADRO C[C@H]([NH2+]C[C@H]1COc2ccccc21)c1ccccc1I ZINC000571239538 823153789 /nfs/dbraw/zinc/15/37/89/823153789.db2.gz GQZSWAFEKBXLNP-STQMWFEESA-N 1 0 379.241 4.118 20 0 GIADRO Cc1ccccc1-n1ncc(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c1C(C)C ZINC000187900527 823155227 /nfs/dbraw/zinc/15/52/27/823155227.db2.gz HAXAPVKWZOOJLJ-FQEVSTJZSA-N 1 0 394.563 4.395 20 0 GIADRO CC(C)OC(=O)c1ccc(C[NH2+][C@H]2c3ccccc3CC23CCOCC3)cc1 ZINC000571248343 823155425 /nfs/dbraw/zinc/15/54/25/823155425.db2.gz JMUMEJMGTGCOFS-QFIPXVFZSA-N 1 0 379.500 4.436 20 0 GIADRO COc1cc(CNc2ccc3c(c2)C[N@@H+](C)C3)ccc1OCc1c(C)noc1C ZINC000121312976 823161221 /nfs/dbraw/zinc/16/12/21/823161221.db2.gz JSKLAUCDEIHCOP-UHFFFAOYSA-N 1 0 393.487 4.437 20 0 GIADRO COc1ccc(CC[NH2+][C@H](c2ncc[nH]2)c2ccc(F)cc2)cc1OC(F)F ZINC000187918876 823158195 /nfs/dbraw/zinc/15/81/95/823158195.db2.gz NGXPBJAHKFILJY-SFHVURJKSA-N 1 0 391.393 4.081 20 0 GIADRO CCCCN(C)C(=O)C1CC[NH+](Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000056495110 823159437 /nfs/dbraw/zinc/15/94/37/823159437.db2.gz TYFOMYLMPCTZDX-UHFFFAOYSA-N 1 0 386.458 4.098 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1ccc(F)c(Cl)c1 ZINC000176237459 823160191 /nfs/dbraw/zinc/16/01/91/823160191.db2.gz OSBKCLBXLYGJTB-GOSISDBHSA-N 1 0 389.902 4.143 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)Nc1ccc(-c2nccs2)cc1 ZINC000459318401 823160291 /nfs/dbraw/zinc/16/02/91/823160291.db2.gz CGIUEYVISPXFGT-UHFFFAOYSA-N 1 0 386.546 4.467 20 0 GIADRO CCOC(=O)C1CCC([N@H+](CC)Cc2cccc(C(=O)NCC(C)C)c2)CC1 ZINC000571290311 823160632 /nfs/dbraw/zinc/16/06/32/823160632.db2.gz BWIMOEPTSMEKGI-UHFFFAOYSA-N 1 0 388.552 4.016 20 0 GIADRO O=C(N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21)c1ccc2c[nH+]cn2c1 ZINC000571289610 823160723 /nfs/dbraw/zinc/16/07/23/823160723.db2.gz FFVYYDNAOCMHLE-KRWDZBQOSA-N 1 0 392.459 4.404 20 0 GIADRO COc1cccc([C@@H](CNC(=O)N([C@@H](C)c2ccco2)C2CC2)[NH+]2CCCC2)c1 ZINC000121312746 823161039 /nfs/dbraw/zinc/16/10/39/823161039.db2.gz QSKCBCHGDFZZLT-LAUBAEHRSA-N 1 0 397.519 4.360 20 0 GIADRO CCOc1ccc(OCC)c(NC(=O)N(CC[NH+](C)C)Cc2ccsc2)c1 ZINC000459325744 823161751 /nfs/dbraw/zinc/16/17/51/823161751.db2.gz LMVBZYDFWKIXBY-UHFFFAOYSA-N 1 0 391.537 4.141 20 0 GIADRO C[C@@H]1CN(c2ccccc2C[NH+]2CCC(c3c[nH]c4ncccc34)CC2)CCO1 ZINC000459326525 823161800 /nfs/dbraw/zinc/16/18/00/823161800.db2.gz MOIUQTRQRCACET-GOSISDBHSA-N 1 0 390.531 4.168 20 0 GIADRO CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000571300182 823162023 /nfs/dbraw/zinc/16/20/23/823162023.db2.gz HXDXSWCWXLSWLE-ROUUACIJSA-N 1 0 384.486 4.464 20 0 GIADRO Cc1coc2ccc(NC(=O)N3CCC(C[NH+]4C[C@@H](C)O[C@H](C)C4)CC3)cc12 ZINC000187953499 823163351 /nfs/dbraw/zinc/16/33/51/823163351.db2.gz DMPAACXXFDKMBM-IAGOWNOFSA-N 1 0 385.508 4.094 20 0 GIADRO CCOc1cc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc(Br)c1O ZINC000459336899 823163861 /nfs/dbraw/zinc/16/38/61/823163861.db2.gz BBEHPVGFQGDEAM-CVEARBPZSA-N 1 0 397.357 4.001 20 0 GIADRO C[C@@H]1C[NH+](CC2CCN(C(=O)c3ccc(Oc4ccccc4)o3)CC2)C[C@@H](C)O1 ZINC000176257549 823164988 /nfs/dbraw/zinc/16/49/88/823164988.db2.gz VFPJXAZGALCZGY-QZTJIDSGSA-N 1 0 398.503 4.033 20 0 GIADRO C[C@@H](NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C)[C@@H]1c1ccccc1)c1cc2ccccc2o1 ZINC000571331793 823166407 /nfs/dbraw/zinc/16/64/07/823166407.db2.gz WYVOVQUPFZSCDG-PMTGJVGFSA-N 1 0 391.515 4.034 20 0 GIADRO Fc1cccc(-n2cccn2)c1CN[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000571324926 823165496 /nfs/dbraw/zinc/16/54/96/823165496.db2.gz FYKYGJQJIMXLIQ-HXUWFJFHSA-N 1 0 390.506 4.298 20 0 GIADRO CC(C)(C)OC(=O)NC1CCC([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000187980280 823166824 /nfs/dbraw/zinc/16/68/24/823166824.db2.gz OHXSGZVDTFSFEM-UHFFFAOYSA-N 1 0 383.876 4.174 20 0 GIADRO COc1c(Cl)cccc1NC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000056549682 823166919 /nfs/dbraw/zinc/16/69/19/823166919.db2.gz HSVZWNDTTZWMNG-MRXNPFEDSA-N 1 0 377.872 4.290 20 0 GIADRO Cc1occc1CN(C)C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000056553313 823167826 /nfs/dbraw/zinc/16/78/26/823167826.db2.gz BLKABZCXCUTDTL-SFHVURJKSA-N 1 0 375.538 4.264 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)NCc3ccc(SC)cc3)c(C)c2)CC1 ZINC000056554103 823168154 /nfs/dbraw/zinc/16/81/54/823168154.db2.gz CIDKLYLUBQAIAV-UHFFFAOYSA-N 1 0 398.576 4.181 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1C[NH2+]Cc1ccc(Cn2cccn2)cc1 ZINC000459350251 823168171 /nfs/dbraw/zinc/16/81/71/823168171.db2.gz BSSADHPPTYCODA-UHFFFAOYSA-N 1 0 377.517 4.116 20 0 GIADRO CCOc1cc(C[N@@H+]2C[C@H](O)C[C@H]2c2ccc(C(F)(F)F)cc2)ccc1O ZINC000459350504 823168269 /nfs/dbraw/zinc/16/82/69/823168269.db2.gz FQQVCHWBQBSMRX-SJORKVTESA-N 1 0 381.394 4.118 20 0 GIADRO O=C(Nc1cccc(N2CCCCC2)c1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000056554780 823168650 /nfs/dbraw/zinc/16/86/50/823168650.db2.gz WKQACMSVKPUFQK-OAQYLSRUSA-N 1 0 378.520 4.073 20 0 GIADRO Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)CC[N@@H+]1CCCC[C@@H]1C ZINC000571348533 823168902 /nfs/dbraw/zinc/16/89/02/823168902.db2.gz ZKHITCUWYKLOOL-GGPKGHCWSA-N 1 0 399.579 4.316 20 0 GIADRO CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cccn2)c(F)c1)c1ccccc1 ZINC000571348397 823168961 /nfs/dbraw/zinc/16/89/61/823168961.db2.gz YTMCXMHGMNDCDN-IRXDYDNUSA-N 1 0 380.467 4.104 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(NC(=O)c2ccc(F)cc2)c1)c1cccc(CO)c1 ZINC000121355156 823169470 /nfs/dbraw/zinc/16/94/70/823169470.db2.gz QSBQXFCWJZUJRJ-INIZCTEOSA-N 1 0 378.447 4.421 20 0 GIADRO COc1cc(NC(=O)CC[N@H+](C)C2CCC(F)(F)CC2)c(OC)cc1Cl ZINC000571353530 823169794 /nfs/dbraw/zinc/16/97/94/823169794.db2.gz HPJWEQQRMUKSRX-UHFFFAOYSA-N 1 0 390.858 4.196 20 0 GIADRO Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)c1 ZINC000056561986 823170292 /nfs/dbraw/zinc/17/02/92/823170292.db2.gz GUPRHQTUNIQICV-QHCPKHFHSA-N 1 0 392.547 4.424 20 0 GIADRO COCc1cc(O)ccc1NC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000459359931 823171351 /nfs/dbraw/zinc/17/13/51/823171351.db2.gz USVPVHDUSIVALW-UHFFFAOYSA-N 1 0 383.492 4.211 20 0 GIADRO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[NH2+][C@@H](c1ccccc1)C(C)(C)CO ZINC000571366740 823172200 /nfs/dbraw/zinc/17/22/00/823172200.db2.gz LRAQWRXQSZOXLR-SBUREZEXSA-N 1 0 394.515 4.302 20 0 GIADRO O=C(N[C@H](c1ccccc1)[C@@H]1CCCO1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176304542 823177011 /nfs/dbraw/zinc/17/70/11/823177011.db2.gz FWGNFQKGMIWCKT-FCHUYYIVSA-N 1 0 385.552 4.003 20 0 GIADRO Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(C)c2)c1 ZINC000056576274 823173326 /nfs/dbraw/zinc/17/33/26/823173326.db2.gz VXYKDAQGGSTZPG-QHCPKHFHSA-N 1 0 392.547 4.424 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(N[C@@H](c2ncc[nH]2)c2ccc(F)cc2)CC1 ZINC000188024963 823173785 /nfs/dbraw/zinc/17/37/85/823173785.db2.gz NEVBVFKPJMGLIO-HTAPYJJXSA-N 1 0 378.495 4.453 20 0 GIADRO Cc1cc(C)n(-c2ccccc2NC(=O)NC2CC[NH+](C3CCCCC3)CC2)n1 ZINC000176290418 823173837 /nfs/dbraw/zinc/17/38/37/823173837.db2.gz UFTHTPHBNGDQAB-UHFFFAOYSA-N 1 0 395.551 4.408 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1C[NH2+]Cc1cccc(Cn2cccn2)c1 ZINC000459368994 823174544 /nfs/dbraw/zinc/17/45/44/823174544.db2.gz GNECRIYVVZCGCV-UHFFFAOYSA-N 1 0 377.517 4.116 20 0 GIADRO COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H](C)c2cccc(Cl)c2)c(OC)c1 ZINC000121385905 823174914 /nfs/dbraw/zinc/17/49/14/823174914.db2.gz PSCBGRCUBUODHL-ZIAGYGMSSA-N 1 0 376.884 4.425 20 0 GIADRO C[C@H](Cc1ccccc1F)[NH2+]Cc1ccc(N(C)C(=O)c2ccncc2)cc1 ZINC000188037990 823175391 /nfs/dbraw/zinc/17/53/91/823175391.db2.gz QMUAFWHTLSECIX-QGZVFWFLSA-N 1 0 377.463 4.218 20 0 GIADRO CCOC(=O)Nc1ccc(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000176297279 823175740 /nfs/dbraw/zinc/17/57/40/823175740.db2.gz BBDKFPOXNHXIIR-UHFFFAOYSA-N 1 0 388.512 4.174 20 0 GIADRO Cc1ccc([C@H](CNC(=O)N2CCCC[C@@H]2c2nccs2)[NH+]2CCCC2)o1 ZINC000176302517 823176714 /nfs/dbraw/zinc/17/67/14/823176714.db2.gz AXOJTOHHMIVNKA-SJORKVTESA-N 1 0 388.537 4.118 20 0 GIADRO O=C(Nc1cccc(Cn2cccn2)c1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000056600318 823178058 /nfs/dbraw/zinc/17/80/58/823178058.db2.gz HWYFHUSPRXWOCD-UHFFFAOYSA-N 1 0 395.551 4.051 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)NCc2cccc(NC(=O)C3CCCC3)c2)c1 ZINC000056601011 823178176 /nfs/dbraw/zinc/17/81/76/823178176.db2.gz VBMAARFRYXJJBD-UHFFFAOYSA-N 1 0 394.519 4.199 20 0 GIADRO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(-n3cncn3)cc2)[C@H]1Sc1ccccc1 ZINC000459383009 823178907 /nfs/dbraw/zinc/17/89/07/823178907.db2.gz UEFQOZLYBTYNDM-XUFNMVPLSA-N 1 0 394.544 4.256 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+][C@H](CC(=O)N(C)C)c2ccccc2)[C@H]1Sc1ccccc1 ZINC000459385692 823179628 /nfs/dbraw/zinc/17/96/28/823179628.db2.gz KFKSYDBTBKBAHK-ADYITMSISA-N 1 0 398.572 4.134 20 0 GIADRO c1ccc(COc2ccc(C[N@@H+]3CCC[C@H](c4nnc5ccccn54)C3)cn2)cc1 ZINC000571414743 823179656 /nfs/dbraw/zinc/17/96/56/823179656.db2.gz YDRJDDYBZKEJSP-NRFANRHFSA-N 1 0 399.498 4.083 20 0 GIADRO COc1cc([C@H](C)[NH2+]Cc2cc(=O)[nH]c(C3CC3)n2)ccc1OCCC(C)C ZINC000459386187 823179899 /nfs/dbraw/zinc/17/98/99/823179899.db2.gz AURYWAAFXLMSBK-HNNXBMFYSA-N 1 0 385.508 4.344 20 0 GIADRO C[C@@H]1CN(C(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)C[C@H](c2ccccc2)O1 ZINC000571420679 823180333 /nfs/dbraw/zinc/18/03/33/823180333.db2.gz ZWTGTCKANUCVAL-NLSFWIRASA-N 1 0 389.499 4.011 20 0 GIADRO C[C@@H]1CN(C(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)C[C@@H](c2ccccc2)O1 ZINC000571420681 823180455 /nfs/dbraw/zinc/18/04/55/823180455.db2.gz ZWTGTCKANUCVAL-VSDWSMLSSA-N 1 0 389.499 4.011 20 0 GIADRO CCOc1ccccc1Oc1ccc(C[NH2+][C@@H]2C[C@H](OCC)[C@H]2SC)cn1 ZINC000459388242 823180540 /nfs/dbraw/zinc/18/05/40/823180540.db2.gz KLDJMPCYVKMOEB-PBEJRMEISA-N 1 0 388.533 4.271 20 0 GIADRO COc1cc2c(cc1OC)[C@@H]([NH2+]C[C@H](c1ccc(SC)cc1)N(C)C)CC2 ZINC000571423874 823180791 /nfs/dbraw/zinc/18/07/91/823180791.db2.gz BQUSSFZSGOYLBM-VQTJNVASSA-N 1 0 386.561 4.306 20 0 GIADRO O=C(Nc1c[nH]nc1[C@H]1CCC[N@H+](CCOCC2CCCC2)C1)c1ccccc1 ZINC000459389718 823180929 /nfs/dbraw/zinc/18/09/29/823180929.db2.gz AJTQLKXQDFKRIA-FQEVSTJZSA-N 1 0 396.535 4.048 20 0 GIADRO C[C@@H](C[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1)N1CCC(C)CC1 ZINC000459389410 823180943 /nfs/dbraw/zinc/18/09/43/823180943.db2.gz NNFLIVIDIBNGKN-IBGZPJMESA-N 1 0 381.568 4.270 20 0 GIADRO CC(C)Oc1cccc(CC(=O)NC[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)c1 ZINC000571426041 823180953 /nfs/dbraw/zinc/18/09/53/823180953.db2.gz SLKWCJXWNGUIHL-IBGZPJMESA-N 1 0 388.939 4.131 20 0 GIADRO O=C(N[C@@H](c1ccccc1)c1cccnc1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176320329 823181017 /nfs/dbraw/zinc/18/10/17/823181017.db2.gz YIFQYFSWQLSTOZ-QHCPKHFHSA-N 1 0 392.547 4.267 20 0 GIADRO CCOc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(OC)c(OC)c1C ZINC000571425761 823181081 /nfs/dbraw/zinc/18/10/81/823181081.db2.gz FPXKFHRPKZEYOE-JKSUJKDBSA-N 1 0 386.492 4.089 20 0 GIADRO Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000056613752 823181402 /nfs/dbraw/zinc/18/14/02/823181402.db2.gz QIDAJMZQTIWLDT-GOSISDBHSA-N 1 0 394.519 4.243 20 0 GIADRO COc1ccc(Oc2cc(C[NH2+][C@H]3CCc4cccnc4CC3)ccn2)cc1 ZINC000571431181 823181915 /nfs/dbraw/zinc/18/19/15/823181915.db2.gz YPCPZBGETMUERE-IBGZPJMESA-N 1 0 375.472 4.315 20 0 GIADRO CCSc1ccc([C@@H](C)NC(=O)NC2CC[NH+](CCOC(C)C)CC2)cc1 ZINC000176323752 823182238 /nfs/dbraw/zinc/18/22/38/823182238.db2.gz SBWMZODVUHITMN-QGZVFWFLSA-N 1 0 393.597 4.048 20 0 GIADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)c2cc(C)n(C(C)C)c2C)c1 ZINC000571435787 823182310 /nfs/dbraw/zinc/18/23/10/823182310.db2.gz DVSSMHPREBPOCA-UHFFFAOYSA-N 1 0 384.524 4.218 20 0 GIADRO COc1cc([C@H](C)[NH2+]Cc2cnc(C3CC3)nc2)ccc1OCc1ccncc1 ZINC000459398434 823183433 /nfs/dbraw/zinc/18/34/33/823183433.db2.gz YFNQZDSVCFGCSC-INIZCTEOSA-N 1 0 390.487 4.187 20 0 GIADRO CNC(=O)C1CCC([NH2+]C/C=C\c2ccc(OCc3ccccc3)cc2)CC1 ZINC000459399966 823183930 /nfs/dbraw/zinc/18/39/30/823183930.db2.gz VUMTYCGPQUNZGW-YVMONPNESA-N 1 0 378.516 4.173 20 0 GIADRO Cc1occc1CN(C)C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000056623502 823184021 /nfs/dbraw/zinc/18/40/21/823184021.db2.gz QKSDGJYORFJKSY-LJQANCHMSA-N 1 0 375.900 4.220 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)CCC(=O)c2cc(Cl)sc2Cl)C1 ZINC000121435940 823184132 /nfs/dbraw/zinc/18/41/32/823184132.db2.gz AUFCMYUYQACCCQ-GFCCVEGCSA-N 1 0 391.364 4.208 20 0 GIADRO C[C@H](Cc1ccc(Br)cc1)[NH2+]CCc1nccn1Cc1ccccc1 ZINC000188114853 823188617 /nfs/dbraw/zinc/18/86/17/823188617.db2.gz NTRBOGGEGUWXIP-QGZVFWFLSA-N 1 0 398.348 4.457 20 0 GIADRO CCOc1cc(C[NH2+][C@H](C)CCc2cccn2C)cc(Br)c1O ZINC000459419874 823188643 /nfs/dbraw/zinc/18/86/43/823188643.db2.gz XMMLCQFROXXYON-CYBMUJFWSA-N 1 0 381.314 4.003 20 0 GIADRO CC[C@@H]([NH2+]Cc1cc(=O)[nH]c(C2CC2)n1)c1cc(F)cc(Br)c1 ZINC000459419208 823188652 /nfs/dbraw/zinc/18/86/52/823188652.db2.gz BHUZWGJRJOXOPF-OAHLLOKOSA-N 1 0 380.261 4.202 20 0 GIADRO COC[C@H]([NH2+]Cc1ccc(OC(C)(C)C)cc1C(F)(F)F)C1CCOCC1 ZINC000188092603 823185068 /nfs/dbraw/zinc/18/50/68/823185068.db2.gz IECANZFLXYQVBL-SFHVURJKSA-N 1 0 389.458 4.414 20 0 GIADRO CCO[C@@H]1C[C@@H]([NH2+]CCc2ccc(NC(C)=O)cc2)[C@H]1Sc1ccccc1 ZINC000459403018 823185222 /nfs/dbraw/zinc/18/52/22/823185222.db2.gz GWHKFRHVOBWKQC-YPAWHYETSA-N 1 0 384.545 4.115 20 0 GIADRO C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459404748 823185558 /nfs/dbraw/zinc/18/55/58/823185558.db2.gz JIJSZPZUDPWSHF-QGZVFWFLSA-N 1 0 376.504 4.487 20 0 GIADRO CC(C)NC(=O)CC[NH2+][C@@H](C)c1ccc(Br)cc1C(F)(F)F ZINC000188115880 823188885 /nfs/dbraw/zinc/18/88/85/823188885.db2.gz KIERHIVVJJMMKE-JTQLQIEISA-N 1 0 381.236 4.033 20 0 GIADRO Cc1ccc(NC(=O)N2CCc3cccc(Cl)c3C2)c(OCC[NH+](C)C)c1 ZINC000459421815 823188907 /nfs/dbraw/zinc/18/89/07/823188907.db2.gz XBQUDTKLYCMKJX-UHFFFAOYSA-N 1 0 387.911 4.179 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+]CCCc2nc(C(C)C)no2)[C@H]1Sc1ccccc1 ZINC000459415127 823187973 /nfs/dbraw/zinc/18/79/73/823187973.db2.gz ZQSLKECMPRZSPY-YQVWRLOYSA-N 1 0 375.538 4.054 20 0 GIADRO CCC1(CC)Oc2ccc(NC(=O)N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C(C)C)cc2O1 ZINC000188117270 823189156 /nfs/dbraw/zinc/18/91/56/823189156.db2.gz IBEWAJYYYWBKRJ-MSOLQXFVSA-N 1 0 387.524 4.453 20 0 GIADRO COc1cccc(F)c1[C@@H](C)NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000176351345 823189427 /nfs/dbraw/zinc/18/94/27/823189427.db2.gz YSNVCICHIZGPKS-QGZVFWFLSA-N 1 0 399.510 4.201 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)Nc1ccc(OC2CCC2)c(F)c1 ZINC000459423742 823189590 /nfs/dbraw/zinc/18/95/90/823189590.db2.gz JEMVWQMCAOPDTA-UHFFFAOYSA-N 1 0 391.512 4.414 20 0 GIADRO Cc1ccnc(-c2ccc(NC(=O)NC3CC[NH+](C4CCCCC4)CC3)cc2)n1 ZINC000176355658 823190218 /nfs/dbraw/zinc/19/02/18/823190218.db2.gz PNOMYQAPEWNOPD-UHFFFAOYSA-N 1 0 393.535 4.371 20 0 GIADRO CC[NH+]1CCC(NC(=O)Nc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000056652451 823190670 /nfs/dbraw/zinc/19/06/70/823190670.db2.gz BSYZMUOLMNQVFQ-UHFFFAOYSA-N 1 0 394.235 4.074 20 0 GIADRO CSC1(C[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)CCOCC1 ZINC000459431999 823190736 /nfs/dbraw/zinc/19/07/36/823190736.db2.gz ZFEDRVOUWMBKFD-UHFFFAOYSA-N 1 0 386.565 4.062 20 0 GIADRO Cc1cnn(-c2ccc(NC(=O)NC3CC[NH+](C4CCCCC4)CC3)cc2F)c1 ZINC000176360332 823190750 /nfs/dbraw/zinc/19/07/50/823190750.db2.gz GRCZWDRFIOPGIN-UHFFFAOYSA-N 1 0 399.514 4.238 20 0 GIADRO CCOc1cc(C[NH2+]C[C@H](c2cccnc2)C(C)C)cc(Br)c1O ZINC000459434968 823191497 /nfs/dbraw/zinc/19/14/97/823191497.db2.gz VWTKONBWPHMJTC-INIZCTEOSA-N 1 0 393.325 4.478 20 0 GIADRO C[C@H](O)C[C@@H](C[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1)c1ccccc1 ZINC000121502287 823195600 /nfs/dbraw/zinc/19/56/00/823195600.db2.gz TUZDFPZESXJUDO-ZWOKBUDYSA-N 1 0 381.520 4.176 20 0 GIADRO Oc1cccc(C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)c1Br ZINC000459442462 823192685 /nfs/dbraw/zinc/19/26/85/823192685.db2.gz OWSOEMIAKJZZCD-RHSMWYFYSA-N 1 0 376.294 4.412 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000176369615 823192885 /nfs/dbraw/zinc/19/28/85/823192885.db2.gz CMFMTOBSWXITIN-HLLBOEOZSA-N 1 0 379.957 4.145 20 0 GIADRO CS(=O)(=O)C1CCC([NH2+]C/C=C\c2ccc(OCc3ccccc3)cc2)CC1 ZINC000459443093 823193011 /nfs/dbraw/zinc/19/30/11/823193011.db2.gz XLVOJRSMBASAHE-YVMONPNESA-N 1 0 399.556 4.224 20 0 GIADRO CCOc1ccc(NC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)cc1F ZINC000056702806 823195762 /nfs/dbraw/zinc/19/57/62/823195762.db2.gz ZYXVAXVRKRCSAT-UHFFFAOYSA-N 1 0 385.483 4.273 20 0 GIADRO CCCC[NH+]1CCC(NC(=O)N(CCC(F)(F)F)Cc2ccccc2)CC1 ZINC000188146548 823193719 /nfs/dbraw/zinc/19/37/19/823193719.db2.gz CSWVPIFCUZWKHQ-UHFFFAOYSA-N 1 0 385.474 4.415 20 0 GIADRO CC(C)(C)OC(=O)C1CCC([NH2+]Cc2cccc(O)c2Br)CC1 ZINC000459446035 823193730 /nfs/dbraw/zinc/19/37/30/823193730.db2.gz UACBQNAGVWXCKG-UHFFFAOYSA-N 1 0 384.314 4.145 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(C)c(NC(C)=O)c1C)CC(C)C ZINC000056691118 823193850 /nfs/dbraw/zinc/19/38/50/823193850.db2.gz UAXNGJGUYJWIED-GOSISDBHSA-N 1 0 376.545 4.140 20 0 GIADRO CCc1noc(-c2ccc(C)c(NC(=O)[C@@H]3CCC[N@@H+]3Cc3ccccc3)c2)n1 ZINC000176376708 823193937 /nfs/dbraw/zinc/19/39/37/823193937.db2.gz YCQHMUNCIDIMPF-FQEVSTJZSA-N 1 0 390.487 4.211 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)Nc1ccccc1CC(F)(F)F ZINC000459446935 823193960 /nfs/dbraw/zinc/19/39/60/823193960.db2.gz PWZNJKDEEDUVEY-UHFFFAOYSA-N 1 0 385.455 4.449 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)[C@H]1Sc1ccccc1 ZINC000459447228 823194002 /nfs/dbraw/zinc/19/40/02/823194002.db2.gz GNNVEWZFKQUCFI-FMXIOTQUSA-N 1 0 389.586 4.413 20 0 GIADRO Cc1nc2ccccc2n1C1CC[NH+](Cc2cc(=O)[nH]c(-c3ccccc3)n2)CC1 ZINC000459447009 823194020 /nfs/dbraw/zinc/19/40/20/823194020.db2.gz QKWMJLKTPQABIV-UHFFFAOYSA-N 1 0 399.498 4.344 20 0 GIADRO CC(C)[C@@H]([NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1)c1cc2ccccc2o1 ZINC000571509560 823194051 /nfs/dbraw/zinc/19/40/51/823194051.db2.gz JBSQGNXIWOQAAM-OAQYLSRUSA-N 1 0 386.517 4.170 20 0 GIADRO CC(=O)Nc1c(C)ccc(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c1C ZINC000056691523 823194142 /nfs/dbraw/zinc/19/41/42/823194142.db2.gz QQJQNTABKDQTBY-LJQANCHMSA-N 1 0 398.507 4.204 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)CCc2ccc(Br)cc2)CC1 ZINC000176378857 823194212 /nfs/dbraw/zinc/19/42/12/823194212.db2.gz RSAWTSUZXGFRFM-UHFFFAOYSA-N 1 0 395.385 4.352 20 0 GIADRO Clc1ccc(OCC[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)nc1 ZINC000459448445 823194327 /nfs/dbraw/zinc/19/43/27/823194327.db2.gz VUXINYBOQPOBGG-UHFFFAOYSA-N 1 0 397.910 4.277 20 0 GIADRO C[NH+](C)Cc1c2ccccc2oc1C(=O)Nc1cnn(-c2ccccc2F)c1 ZINC000121493632 823194342 /nfs/dbraw/zinc/19/43/42/823194342.db2.gz UCOOJXWDEWGLAJ-UHFFFAOYSA-N 1 0 378.407 4.072 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC000121495253 823194588 /nfs/dbraw/zinc/19/45/88/823194588.db2.gz GFNGEBKXOGUKPD-INIZCTEOSA-N 1 0 380.822 4.233 20 0 GIADRO Cc1cccc([C@H]([NH2+]C[C@@H](O)COCc2ccccc2Cl)c2ccccn2)c1 ZINC000571515757 823194914 /nfs/dbraw/zinc/19/49/14/823194914.db2.gz ALXQAQWWLSSCLO-OFNKIYASSA-N 1 0 396.918 4.300 20 0 GIADRO CCOc1cc(C[NH2+][C@@H](C)[C@@H](OC2CCOCC2)c2ccccc2)ccc1O ZINC000459452561 823194920 /nfs/dbraw/zinc/19/49/20/823194920.db2.gz RKMXAMBURJXVAW-GAJHUEQPSA-N 1 0 385.504 4.206 20 0 GIADRO Oc1cccc(C[NH2+][C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c1Br ZINC000459453162 823195120 /nfs/dbraw/zinc/19/51/20/823195120.db2.gz ACRWVJISBGXVMV-RHSMWYFYSA-N 1 0 384.220 4.053 20 0 GIADRO COc1ccc(F)cc1C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000571520582 823195134 /nfs/dbraw/zinc/19/51/34/823195134.db2.gz ZRDYRXUGVMQNKM-UHFFFAOYSA-N 1 0 392.858 4.213 20 0 GIADRO CC(C)(CO)[C@H](C[NH2+]Cc1cccc(O)c1Br)c1ccccc1 ZINC000459453549 823195150 /nfs/dbraw/zinc/19/51/50/823195150.db2.gz SKKSDSIQBQMADB-MRXNPFEDSA-N 1 0 378.310 4.047 20 0 GIADRO CCOC(=O)c1noc(C[NH2+][C@H]2CCCCC[C@H]2c2ccc(Cl)cc2)n1 ZINC000459453825 823195214 /nfs/dbraw/zinc/19/52/14/823195214.db2.gz NFBRZXJXBIDEFS-HOTGVXAUSA-N 1 0 377.872 4.106 20 0 GIADRO O=C1C[C@H](C[NH2+][C@H](CCCc2ccccc2)c2ccc(F)cc2)CN1C1CC1 ZINC000571529592 823196244 /nfs/dbraw/zinc/19/62/44/823196244.db2.gz OLHRLEQLKAHHJY-AUSIDOKSSA-N 1 0 380.507 4.490 20 0 GIADRO CCOc1cc(C[NH2+]C[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)ccc1O ZINC000459461154 823196821 /nfs/dbraw/zinc/19/68/21/823196821.db2.gz JUAXUQOOWAULRO-IIBYNOLFSA-N 1 0 392.902 4.366 20 0 GIADRO Cc1nc(NC(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)sc1Cc1cccc(C)c1 ZINC000571533604 823197257 /nfs/dbraw/zinc/19/72/57/823197257.db2.gz SHHVEMHKFURROM-RTBURBONSA-N 1 0 398.576 4.204 20 0 GIADRO CC[NH2+]CC1CCN(C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)CC1 ZINC000571533525 823197281 /nfs/dbraw/zinc/19/72/81/823197281.db2.gz RCGOIJQKHCDMDA-UHFFFAOYSA-N 1 0 378.929 4.317 20 0 GIADRO Cc1cccc(OC(F)F)c1NC(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000459468849 823198915 /nfs/dbraw/zinc/19/89/15/823198915.db2.gz LWFGNXPBPJKSFN-UHFFFAOYSA-N 1 0 383.464 4.254 20 0 GIADRO CN(C)[C@H](C[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1)c1ccccc1 ZINC000459470612 823199165 /nfs/dbraw/zinc/19/91/65/823199165.db2.gz SRSWVQIPKOHVGQ-HSZRJFAPSA-N 1 0 389.547 4.453 20 0 GIADRO CCc1ccc2c(C[N@H+]3CC[C@@H](CN(CC)CC(F)(F)F)C3)cc(=O)oc2c1 ZINC000176398135 823199390 /nfs/dbraw/zinc/19/93/90/823199390.db2.gz INZZMIIVFACYDP-INIZCTEOSA-N 1 0 396.453 4.062 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)[C@@H](O)Cc2cccc(C(F)(F)F)c2)c1 ZINC000188181505 823199501 /nfs/dbraw/zinc/19/95/01/823199501.db2.gz CCUQPKIGUXWFJF-IBGZPJMESA-N 1 0 394.437 4.089 20 0 GIADRO C[C@H](O)C[C@@H](C[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1)c1ccccc1 ZINC000121523702 823199627 /nfs/dbraw/zinc/19/96/27/823199627.db2.gz BBGJAACAJUBOKO-IPJJNNNSSA-N 1 0 393.531 4.204 20 0 GIADRO CCOc1cc(C[NH2+][C@@H]2CCO[C@@H](CC(C)C)C2)cc(Br)c1O ZINC000459476372 823200379 /nfs/dbraw/zinc/20/03/79/823200379.db2.gz XVYYNUXZDDKQML-CABCVRRESA-N 1 0 386.330 4.237 20 0 GIADRO CC(C)S(=O)(=O)c1ccc(C[N@H+](C)[C@H]2CC[C@@H](C(F)(F)F)CC2)cc1 ZINC000571560802 823200474 /nfs/dbraw/zinc/20/04/74/823200474.db2.gz HMJGHSHSCNSDSL-IYBDPMFKSA-N 1 0 377.472 4.422 20 0 GIADRO CN(c1ccccc1)C1CCN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000176408016 823201758 /nfs/dbraw/zinc/20/17/58/823201758.db2.gz VTGRMBUOTXNUSY-UHFFFAOYSA-N 1 0 398.595 4.094 20 0 GIADRO COc1c(C)cnc(CN2CCC([N@H+](C)C/C=C/c3ccc(F)cc3)CC2)c1C ZINC000571569343 823201778 /nfs/dbraw/zinc/20/17/78/823201778.db2.gz ZLVRUFGIKCYIPU-AATRIKPKSA-N 1 0 397.538 4.456 20 0 GIADRO Cc1nc(-c2cccc(NC(=O)NC[C@@H](Cc3ccccc3)[NH+](C)C)c2)oc1C ZINC000056730599 823201852 /nfs/dbraw/zinc/20/18/52/823201852.db2.gz GBCJKGITOWPYDI-OAQYLSRUSA-N 1 0 392.503 4.253 20 0 GIADRO Cc1cccc(C[C@H](CO)[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)c1 ZINC000459490126 823203288 /nfs/dbraw/zinc/20/32/88/823203288.db2.gz AYRBQDIYQLVMFN-OAQYLSRUSA-N 1 0 390.531 4.062 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1)C(c1ccccc1)c1ccccc1 ZINC000121545222 823203529 /nfs/dbraw/zinc/20/35/29/823203529.db2.gz MTIVTWWJMJYHHC-ZWKOTPCHSA-N 1 0 394.540 4.205 20 0 GIADRO C[C@H]([NH2+][C@@H](C)C(c1ccccc1)c1ccccc1)c1ccc(S(N)(=O)=O)cc1 ZINC000121544967 823203536 /nfs/dbraw/zinc/20/35/36/823203536.db2.gz MTIVTWWJMJYHHC-ROUUACIJSA-N 1 0 394.540 4.205 20 0 GIADRO COc1ccccc1[C@H](N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000121564391 823206623 /nfs/dbraw/zinc/20/66/23/823206623.db2.gz HIKIMIUGVGRKHQ-ZJCBTPCYSA-N 1 0 387.527 4.432 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Nc1cccc(N2CCCCC2)c1)c1ccc(F)cc1 ZINC000056740492 823204510 /nfs/dbraw/zinc/20/45/10/823204510.db2.gz CSFMFHAPIXBKBV-NRFANRHFSA-N 1 0 384.499 4.240 20 0 GIADRO C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@H+](C)Cc1ccc(C2CC2)cc1 ZINC000459497579 823204524 /nfs/dbraw/zinc/20/45/24/823204524.db2.gz JYFOFEQMDTVCMQ-KRWDZBQOSA-N 1 0 384.545 4.297 20 0 GIADRO C[NH+](C)CCN(Cc1ccccc1)C(=O)Nc1cccc(N2CCCCC2)c1 ZINC000056741533 823204684 /nfs/dbraw/zinc/20/46/84/823204684.db2.gz IMJZMRVGWFMQFC-UHFFFAOYSA-N 1 0 380.536 4.273 20 0 GIADRO Cc1oc(-c2ccccc2)c(C(=O)NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1C ZINC000188216720 823204894 /nfs/dbraw/zinc/20/48/94/823204894.db2.gz MMTMLTGAGXUHDU-CALCHBBNSA-N 1 0 384.520 4.183 20 0 GIADRO Cc1ccccc1-n1ncc(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c1C(C)C ZINC000188219379 823205222 /nfs/dbraw/zinc/20/52/22/823205222.db2.gz PEHYVMJZFOQEIO-FQEVSTJZSA-N 1 0 394.563 4.252 20 0 GIADRO Cc1c([C@H](C)[NH2+]C[C@H](C[C@@H](C)O)c2ccccc2)nnn1-c1ccc(Cl)cc1 ZINC000121564822 823206785 /nfs/dbraw/zinc/20/67/85/823206785.db2.gz UMCQNFFTFLTFOO-GJYPPUQNSA-N 1 0 398.938 4.434 20 0 GIADRO C[C@@H](Cc1cccc(O)c1)[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000571597877 823205413 /nfs/dbraw/zinc/20/54/13/823205413.db2.gz KWBZHGWXVQCNQZ-LBPRGKRZSA-N 1 0 377.275 4.001 20 0 GIADRO CCOc1cc(C[NH2+]C[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)cc(Cl)c1O ZINC000459503753 823206100 /nfs/dbraw/zinc/20/61/00/823206100.db2.gz FSQPFNMGNQUFKU-MLGOLLRUSA-N 1 0 381.822 4.018 20 0 GIADRO c1c(C[NH+]2CCC([C@H]3CCCO3)CC2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459504161 823206146 /nfs/dbraw/zinc/20/61/46/823206146.db2.gz HIEKFPSTCLIZBY-JOCHJYFZSA-N 1 0 380.536 4.451 20 0 GIADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C/C=C/c1ccc(OCc2ccccc2)cc1 ZINC000459509723 823207678 /nfs/dbraw/zinc/20/76/78/823207678.db2.gz LFYRSUXXHGMVCD-CLNPQZTCSA-N 1 0 394.559 4.056 20 0 GIADRO C[C@H]1CN(C/C=C/c2ccc(OCc3ccccc3)cc2)CC[N@@H+]1CC(C)(C)O ZINC000459509755 823207765 /nfs/dbraw/zinc/20/77/65/823207765.db2.gz LKZSWRPIVSCBKU-CLNPQZTCSA-N 1 0 394.559 4.056 20 0 GIADRO NC(=O)N1CCC([NH2+]CC2(c3cccc(C(F)(F)F)c3)CCCCC2)CC1 ZINC000121569858 823208137 /nfs/dbraw/zinc/20/81/37/823208137.db2.gz GBDBWKBZVGXPRA-UHFFFAOYSA-N 1 0 383.458 4.040 20 0 GIADRO O=C(NCCC[NH+]1CCCCC1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000188246375 823208778 /nfs/dbraw/zinc/20/87/78/823208778.db2.gz IBZYQQKUASTLFD-UHFFFAOYSA-N 1 0 386.565 4.061 20 0 GIADRO COc1ccc2c(c1)CN([C@H]1CCCN(C(C)C)C1=O)[C@@H](c1ccccc1)C2 ZINC000571632489 823212209 /nfs/dbraw/zinc/21/22/09/823212209.db2.gz ZNFWCCAZSISOHM-XZOQPEGZSA-N 1 0 378.516 4.194 20 0 GIADRO O=C(NCC1CC[NH2+]CC1)N[C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000571626152 823211162 /nfs/dbraw/zinc/21/11/62/823211162.db2.gz YTKMCGIEANKQHQ-INIZCTEOSA-N 1 0 389.849 4.109 20 0 GIADRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)Nc1ccc(-c2nncs2)cc1 ZINC000459525277 823211333 /nfs/dbraw/zinc/21/13/33/823211333.db2.gz CAJVAYAVRFHSKT-UHFFFAOYSA-N 1 0 395.532 4.237 20 0 GIADRO CSc1ccc(NC(=O)[C@H](C)[NH+]2CCC3(CC2)OCCc2ccccc23)cc1 ZINC000459526700 823211626 /nfs/dbraw/zinc/21/16/26/823211626.db2.gz PHQKQPKJQCXSBK-KRWDZBQOSA-N 1 0 396.556 4.300 20 0 GIADRO CCOC(=O)c1noc(C[NH2+][C@H](Cc2ccccc2C(F)(F)F)C(C)(C)C)n1 ZINC000459526285 823211638 /nfs/dbraw/zinc/21/16/38/823211638.db2.gz KAWXHKCQQFBSJU-CQSZACIVSA-N 1 0 399.413 4.012 20 0 GIADRO COCc1cc(C[N@H+](Cc2ccc(OC)c(OC)c2)[C@H]2CCCC[C@@H]2C)no1 ZINC000459549600 823217924 /nfs/dbraw/zinc/21/79/24/823217924.db2.gz FCEWLNUWFSTSJH-JXFKEZNVSA-N 1 0 388.508 4.419 20 0 GIADRO CCCOC[C@@H](Cc1cccc(Br)c1)[NH2+]C1CCN(C2CC2)CC1 ZINC000459533985 823213981 /nfs/dbraw/zinc/21/39/81/823213981.db2.gz OYLCCUOUDLIISH-LJQANCHMSA-N 1 0 395.385 4.003 20 0 GIADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000121600992 823214121 /nfs/dbraw/zinc/21/41/21/823214121.db2.gz OXHWKQRTSJYVLJ-GOSISDBHSA-N 1 0 394.519 4.038 20 0 GIADRO COc1ccc(C[C@@H](C)C[NH2+][C@@H](c2ncc[nH]2)c2ccc(F)cc2)cc1OC ZINC000188285880 823214415 /nfs/dbraw/zinc/21/44/15/823214415.db2.gz RGDICGUVDLCIIM-QVKFZJNVSA-N 1 0 383.467 4.124 20 0 GIADRO CCO[C@@H]1C[C@@H]([N@H+](C)[C@H]2CCO[C@@H]2c2cccnc2)[C@H]1Sc1ccccc1 ZINC000459537657 823215158 /nfs/dbraw/zinc/21/51/58/823215158.db2.gz SBOKJJBYOAORLL-ZSYZGHEHSA-N 1 0 384.545 4.182 20 0 GIADRO C[C@@]1(C[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)CCO[C@@H]1C1CC1 ZINC000459539338 823215416 /nfs/dbraw/zinc/21/54/16/823215416.db2.gz TUFDKLBKLXUCTB-PKTZIBPZSA-N 1 0 380.536 4.355 20 0 GIADRO CC[NH+](CC)C1CCN(C(=O)Nc2cc(F)c(Br)cc2F)CC1 ZINC000121608919 823215453 /nfs/dbraw/zinc/21/54/53/823215453.db2.gz NSAATFWFJCIRSB-UHFFFAOYSA-N 1 0 390.272 4.065 20 0 GIADRO CC(C)(C)NC(=O)c1cccc(NC(=O)c2ccccc2CC2CC[NH2+]CC2)c1 ZINC000571681782 823218206 /nfs/dbraw/zinc/21/82/06/823218206.db2.gz FUDCTOSGLVLLJL-UHFFFAOYSA-N 1 0 393.531 4.009 20 0 GIADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@@H](c2ccco2)c2ccccc2)o1 ZINC000056812456 823218253 /nfs/dbraw/zinc/21/82/53/823218253.db2.gz IHPVNHVAKFCOON-OAQYLSRUSA-N 1 0 381.476 4.044 20 0 GIADRO [NH3+]C1CCC(OCC(=O)Nc2ccc(OCc3ccccc3Cl)cc2)CC1 ZINC000571674854 823217343 /nfs/dbraw/zinc/21/73/43/823217343.db2.gz FTLBRPURYICDIL-UHFFFAOYSA-N 1 0 388.895 4.144 20 0 GIADRO CCOc1cc(C[N@H+](Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)cc(Cl)c1O ZINC000459549655 823217782 /nfs/dbraw/zinc/21/77/82/823217782.db2.gz FWXJURQCULJSCZ-GOEBONIOSA-N 1 0 393.936 4.445 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)N2CCC(=Cc3cccc(F)c3)CC2)cc1 ZINC000056810687 823217818 /nfs/dbraw/zinc/21/78/18/823217818.db2.gz DBXLCNOENAKRNI-UHFFFAOYSA-N 1 0 381.495 4.276 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cnnn2)c1)c1ccc(OCC2CC2)c(F)c1 ZINC000121638904 823220663 /nfs/dbraw/zinc/22/06/63/823220663.db2.gz AATGAFIEMFVNRY-LSDHHAIUSA-N 1 0 381.455 4.002 20 0 GIADRO O=C(NC[C@@H]1CCC[N@H+](Cn2ccc(=S)c3ccccc32)C1)c1ccccc1 ZINC000176496075 823221041 /nfs/dbraw/zinc/22/10/41/823221041.db2.gz QOOJLDAUUATGBU-SFHVURJKSA-N 1 0 391.540 4.470 20 0 GIADRO Brc1cc(C[NH2+]CCc2nc3ccccc3s2)cc2c1OCO2 ZINC000409447389 823221109 /nfs/dbraw/zinc/22/11/09/823221109.db2.gz BSUCAXJWXBALFA-UHFFFAOYSA-N 1 0 391.290 4.120 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@@H]2CCc3cc(F)ccc32)CC1 ZINC000056840061 823221425 /nfs/dbraw/zinc/22/14/25/823221425.db2.gz BTKCRAJXXNXCCC-JOCHJYFZSA-N 1 0 381.495 4.085 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cc(Cl)cc3cccnc32)C1 ZINC000409454671 823222660 /nfs/dbraw/zinc/22/26/60/823222660.db2.gz SYDCFOGOAXNCLW-BEFAXECRSA-N 1 0 379.891 4.454 20 0 GIADRO O=C(N[C@H](c1cccc(Cl)c1)c1ccccn1)N1CCC([NH+]2CCCC2)CC1 ZINC000121626943 823218574 /nfs/dbraw/zinc/21/85/74/823218574.db2.gz CBOOWGKVZSARBE-OAQYLSRUSA-N 1 0 398.938 4.094 20 0 GIADRO COc1ccc([C@@H]2CCCN2C(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000176485216 823218866 /nfs/dbraw/zinc/21/88/66/823218866.db2.gz NDQYJSUGNUTUNT-QFIPXVFZSA-N 1 0 385.552 4.339 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1C[NH+]1CCC(CCCn2ccnc2)CC1 ZINC000459553998 823219255 /nfs/dbraw/zinc/21/92/55/823219255.db2.gz BVCXCYBRHQSFPA-UHFFFAOYSA-N 1 0 383.565 4.471 20 0 GIADRO CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+]2CC3(CCCC3)[C@@H]2c2ccccc2)cc1 ZINC000459574220 823223557 /nfs/dbraw/zinc/22/35/57/823223557.db2.gz RYTIZLDBOZADOJ-GGAORHGYSA-N 1 0 394.515 4.002 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@@H](c3cccnc3)C2)[C@H]1Sc1ccccc1 ZINC000459573526 823223607 /nfs/dbraw/zinc/22/36/07/823223607.db2.gz RCGFFVKWIFVTTD-XBJCXQGOSA-N 1 0 384.545 4.230 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)c2ccccc2CSc2nc[nH]n2)cc1 ZINC000188349360 823223901 /nfs/dbraw/zinc/22/39/01/823223901.db2.gz TWOLCDAADSZJBR-UHFFFAOYSA-N 1 0 395.532 4.191 20 0 GIADRO C[C@@H]([NH2+]C1(CNC(=O)C/C=C/c2ccccc2F)CCOCC1)c1ccccc1 ZINC000176511458 823225383 /nfs/dbraw/zinc/22/53/83/823225383.db2.gz FRYCXUOUZARVDN-BQHJZSHBSA-N 1 0 396.506 4.245 20 0 GIADRO C[C@@H](NC(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)c1cc2ccccc2o1 ZINC000188359088 823225499 /nfs/dbraw/zinc/22/54/99/823225499.db2.gz HGGRFOOALZMLLC-KZNAEPCWSA-N 1 0 399.535 4.025 20 0 GIADRO CC[C@@H](NC(=O)N1CCC(CC[NH+](C)C)CC1)c1ccccc1OC(F)F ZINC000056867398 823225720 /nfs/dbraw/zinc/22/57/20/823225720.db2.gz NTRLKLWSQUFJPG-QGZVFWFLSA-N 1 0 383.483 4.112 20 0 GIADRO C[C@H](C(=O)NCc1ccc(OCC[NH+](C)C)cc1)c1ccc(C(F)(F)F)cc1 ZINC000409470317 823227770 /nfs/dbraw/zinc/22/77/70/823227770.db2.gz RISIFHCWHPPZFK-HNNXBMFYSA-N 1 0 394.437 4.066 20 0 GIADRO C[C@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)c1ccc(OCC2CC2)c(F)c1 ZINC000121677588 823228860 /nfs/dbraw/zinc/22/88/60/823228860.db2.gz MDBRROMAZCYOHZ-HNNXBMFYSA-N 1 0 386.467 4.163 20 0 GIADRO Cc1nccnc1[C@H](C)[NH2+][C@@H]1CCN(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000188375880 823229249 /nfs/dbraw/zinc/22/92/49/823229249.db2.gz IYYGCLFOEVRXTL-BOUXLOLZSA-N 1 0 376.907 4.452 20 0 GIADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2CCc3c2cccc3Cl)o1 ZINC000056903680 823230351 /nfs/dbraw/zinc/23/03/51/823230351.db2.gz VRQNUHLLVBQFCC-LJQANCHMSA-N 1 0 375.900 4.002 20 0 GIADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CCc3c2cccc3Cl)o1 ZINC000056903683 823230369 /nfs/dbraw/zinc/23/03/69/823230369.db2.gz VRQNUHLLVBQFCC-IBGZPJMESA-N 1 0 375.900 4.002 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)Nc1ccc([C@@H]2CCOC2)cc1 ZINC000571755518 823230575 /nfs/dbraw/zinc/23/05/75/823230575.db2.gz DSSDHFCEHYFSSC-OAQYLSRUSA-N 1 0 379.504 4.108 20 0 GIADRO C[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000459618781 823230694 /nfs/dbraw/zinc/23/06/94/823230694.db2.gz SXWKAXRRPOEHKG-AUUYWEPGSA-N 1 0 378.563 4.272 20 0 GIADRO Brc1ccc(-n2cc(C[NH2+]CCc3c[nH]c4ccccc34)cn2)cc1 ZINC000409480138 823230817 /nfs/dbraw/zinc/23/08/17/823230817.db2.gz PPHMVLAADCAICO-UHFFFAOYSA-N 1 0 395.304 4.448 20 0 GIADRO CC[S@@](=O)c1ccccc1C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000121697908 823232946 /nfs/dbraw/zinc/23/29/46/823232946.db2.gz SXPKNTDIDHNSQB-JMQGSBJISA-N 1 0 398.572 4.119 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000121690516 823231084 /nfs/dbraw/zinc/23/10/84/823231084.db2.gz BMVFXMPROYHPJV-OAHLLOKOSA-N 1 0 399.922 4.254 20 0 GIADRO Cc1nccn1-c1ccc(CNC(=O)C[C@H]2CCCc3ccccc32)cc1F ZINC000409482088 823231187 /nfs/dbraw/zinc/23/11/87/823231187.db2.gz CPXLZJGQLASDKE-LJQANCHMSA-N 1 0 377.463 4.446 20 0 GIADRO C[C@H](CCCc1cccnc1)[NH2+][C@@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000459631802 823233016 /nfs/dbraw/zinc/23/30/16/823233016.db2.gz CBLDWAKWCHAUCX-CABCVRRESA-N 1 0 395.425 4.308 20 0 GIADRO FC(F)(F)[C@H]1CC[N@H+](CCOc2ccccc2Cl)CC12CCOCC2 ZINC000459631769 823233038 /nfs/dbraw/zinc/23/30/38/823233038.db2.gz BYELGXNHZYZSPW-INIZCTEOSA-N 1 0 377.834 4.400 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1cncc(F)c1)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000459624244 823231636 /nfs/dbraw/zinc/23/16/36/823231636.db2.gz SLEPMCMHRFWPOJ-SDDRHHMPSA-N 1 0 384.282 4.444 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)N(C)Cc1ccsc1)[NH+]1CCCCC1 ZINC000056932389 823232279 /nfs/dbraw/zinc/23/22/79/823232279.db2.gz REGYDETYXGMDID-LJQANCHMSA-N 1 0 387.549 4.125 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)N(C)Cc1ccccc1)[NH+]1CCCCC1 ZINC000056934048 823232684 /nfs/dbraw/zinc/23/26/84/823232684.db2.gz DCLUCQKLGZQSEF-NRFANRHFSA-N 1 0 381.520 4.064 20 0 GIADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@@H](C(F)(F)F)C3(CCC3)C2)C1 ZINC000571779067 823233317 /nfs/dbraw/zinc/23/33/17/823233317.db2.gz GEFUIYMAGJNSHB-IAGOWNOFSA-N 1 0 389.506 4.119 20 0 GIADRO OCC[C@@H]1CCC[C@H]1[NH2+][C@@H](c1ccc(Br)o1)c1ccc(F)cc1 ZINC000571782992 823233997 /nfs/dbraw/zinc/23/39/97/823233997.db2.gz KFINIPFRNJMRAT-WBHUJUFNSA-N 1 0 382.273 4.411 20 0 GIADRO C[N@H+](Cc1ccccc1CNC(=O)c1cnc2cnccc2c1)C1CCCCC1 ZINC000409493313 823234123 /nfs/dbraw/zinc/23/41/23/823234123.db2.gz UNCBKZBLNTWHRX-UHFFFAOYSA-N 1 0 388.515 4.324 20 0 GIADRO COc1cc2ccnc(NCC3([NH+]4CCC(OC)CC4)CCCC3)c2cc1F ZINC000571794069 823235018 /nfs/dbraw/zinc/23/50/18/823235018.db2.gz HMBVUCKDOSDBQM-UHFFFAOYSA-N 1 0 387.499 4.218 20 0 GIADRO CC(C)[C@H]1CN(C(=O)Nc2ccc(SCC[NH+]3CCCCC3)cc2)CCO1 ZINC000571796025 823235583 /nfs/dbraw/zinc/23/55/83/823235583.db2.gz BXPTUTSLYMQRBT-HXUWFJFHSA-N 1 0 391.581 4.153 20 0 GIADRO O=C(CN1CCC(CCC[NH+]2CCCC2)CC1)Nc1ccccc1C(F)(F)F ZINC000121713505 823235692 /nfs/dbraw/zinc/23/56/92/823235692.db2.gz PASIYOPFXADXTK-UHFFFAOYSA-N 1 0 397.485 4.232 20 0 GIADRO CC1(CC[NH2+][C@@H](c2ccccc2)c2ccc(Br)cc2)OCCO1 ZINC000188407788 823235955 /nfs/dbraw/zinc/23/59/55/823235955.db2.gz BUDHZVDHHGIQOA-SFHVURJKSA-N 1 0 376.294 4.281 20 0 GIADRO C[C@H](CCCc1cccnc1)[NH2+]CC(=O)N(C)[C@H](C)c1cc2ccccc2o1 ZINC000459641558 823236027 /nfs/dbraw/zinc/23/60/27/823236027.db2.gz RFGIPBZMXFPFGJ-QZTJIDSGSA-N 1 0 379.504 4.348 20 0 GIADRO Cc1ncc(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)n1-c1ccccc1 ZINC000459643414 823236400 /nfs/dbraw/zinc/23/64/00/823236400.db2.gz CQVVXAMANCZKMF-LJQANCHMSA-N 1 0 393.453 4.362 20 0 GIADRO CCn1nc(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c2ccccc21 ZINC000459647938 823238013 /nfs/dbraw/zinc/23/80/13/823238013.db2.gz KSCQPXAHUGDIFY-SFHVURJKSA-N 1 0 381.442 4.237 20 0 GIADRO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@@H](C)c1nc2c(s1)CCC2 ZINC000459647510 823238183 /nfs/dbraw/zinc/23/81/83/823238183.db2.gz KCGLPIFYDQMZBC-KBPBESRZSA-N 1 0 391.968 4.373 20 0 GIADRO C[NH+](C)CCN(Cc1ccco1)C(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000176566746 823238713 /nfs/dbraw/zinc/23/87/13/823238713.db2.gz FTCCPIBSHYPLAB-UHFFFAOYSA-N 1 0 384.505 4.362 20 0 GIADRO CC(C)OC(=O)c1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)cc1 ZINC000459658100 823242458 /nfs/dbraw/zinc/24/24/58/823242458.db2.gz IVSNDSYWFNDOLS-GOSISDBHSA-N 1 0 399.453 4.433 20 0 GIADRO FC(F)(F)CN1CC[NH+](CC(Cc2ccccc2)Cc2ccccc2)CC1 ZINC000571815996 823238759 /nfs/dbraw/zinc/23/87/59/823238759.db2.gz XFOSNDZKJPXCIT-UHFFFAOYSA-N 1 0 376.466 4.268 20 0 GIADRO COc1ccc(C[NH2+][C@@H](C)CCCc2cccnc2)c(Br)c1OC ZINC000459649831 823238824 /nfs/dbraw/zinc/23/88/24/823238824.db2.gz WFWOTWUQMYJMHC-AWEZNQCLSA-N 1 0 393.325 4.362 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)NCCOc2cccc(Cl)c2Cl)o1 ZINC000056998593 823239096 /nfs/dbraw/zinc/23/90/96/823239096.db2.gz PITYAHZVDCEYAD-UHFFFAOYSA-N 1 0 385.291 4.237 20 0 GIADRO C[C@@H](CCCc1cccnc1)[NH2+][C@@H](C)C(=O)Nc1ccccc1OC(F)F ZINC000459650602 823239198 /nfs/dbraw/zinc/23/91/98/823239198.db2.gz YGFUGBHETPFHIT-GJZGRUSLSA-N 1 0 377.435 4.011 20 0 GIADRO O=C(NCCCCC[NH+]1CCCCC1)N[C@H]1c2ccccc2CC12CCOCC2 ZINC000571817528 823239339 /nfs/dbraw/zinc/23/93/39/823239339.db2.gz YPQMWTWDJJVGSU-QFIPXVFZSA-N 1 0 399.579 4.036 20 0 GIADRO CC[NH+]1CCC(CNC(=O)CCCCc2ccc(Br)cc2)CC1 ZINC000057001635 823239433 /nfs/dbraw/zinc/23/94/33/823239433.db2.gz XHSCONMUJKOGFO-UHFFFAOYSA-N 1 0 381.358 4.010 20 0 GIADRO C[C@@H](CCCc1cccnc1)[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000459654765 823240720 /nfs/dbraw/zinc/24/07/20/823240720.db2.gz UFLQARUQLGGGON-KRWDZBQOSA-N 1 0 385.939 4.341 20 0 GIADRO C[C@H](CCCc1cccnc1)[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000459654767 823240829 /nfs/dbraw/zinc/24/08/29/823240829.db2.gz UFLQARUQLGGGON-QGZVFWFLSA-N 1 0 385.939 4.341 20 0 GIADRO C[C@@H](Oc1ccc(C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)cc1)c1ccccc1 ZINC000409532251 823243185 /nfs/dbraw/zinc/24/31/85/823243185.db2.gz WKSSVLHHQMDGOU-AUSIDOKSSA-N 1 0 396.531 4.009 20 0 GIADRO COc1ccc(NC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1SC ZINC000459659878 823243276 /nfs/dbraw/zinc/24/32/76/823243276.db2.gz NBFFUXFHKQNPPX-SFHVURJKSA-N 1 0 385.533 4.376 20 0 GIADRO C[C@H](O)c1ccc(C[NH2+]Cc2cccc3c2N(C(=O)OC(C)(C)C)CC3)cc1 ZINC000176591905 823243422 /nfs/dbraw/zinc/24/34/22/823243422.db2.gz DPHQYPOATAFZAQ-INIZCTEOSA-N 1 0 382.504 4.327 20 0 GIADRO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCc2cn(C)cn2)c(C)c1 ZINC000459660936 823243453 /nfs/dbraw/zinc/24/34/53/823243453.db2.gz MCDRYCRAFYGUOI-UHFFFAOYSA-N 1 0 385.515 4.222 20 0 GIADRO COc1ccc(NC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1SC ZINC000459660725 823243627 /nfs/dbraw/zinc/24/36/27/823243627.db2.gz OYZFYVQUTBQAGR-GOSISDBHSA-N 1 0 385.533 4.376 20 0 GIADRO COc1cc2nc(C[N@H+](C)[C@@H]3CCC[C@H]3c3ccccc3)[nH]c(=O)c2cc1OC ZINC000459671489 823247438 /nfs/dbraw/zinc/24/74/38/823247438.db2.gz GTBQDSPTXNPRAB-QFBILLFUSA-N 1 0 393.487 4.121 20 0 GIADRO Clc1c2ccc(N3CC[NH+](C4CCOCC4)CC3)cc2nc2c1CCCC2 ZINC000571847389 823244713 /nfs/dbraw/zinc/24/47/13/823244713.db2.gz BRUNKNVTNUMHQE-UHFFFAOYSA-N 1 0 385.939 4.068 20 0 GIADRO C[C@H](NC(=O)N1CC[NH+](C2CCCC2)CC1)c1ccc(-c2cccnc2)cc1 ZINC000176599500 823245346 /nfs/dbraw/zinc/24/53/46/823245346.db2.gz MMUZSZMNJUSGFV-SFHVURJKSA-N 1 0 378.520 4.079 20 0 GIADRO Cc1cc(C[NH2+]C[C@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1Br ZINC000459666238 823245771 /nfs/dbraw/zinc/24/57/71/823245771.db2.gz REDXDDXWWSFNTD-AWEZNQCLSA-N 1 0 396.350 4.054 20 0 GIADRO CC(C)[N@@H+]1CCc2nc(CN[C@@H]3C[C@H]3c3c(F)cccc3Cl)sc2C1 ZINC000459668348 823246374 /nfs/dbraw/zinc/24/63/74/823246374.db2.gz PMWLXARQEWUIIU-MLGOLLRUSA-N 1 0 379.932 4.348 20 0 GIADRO COC(=O)c1cc([C@H](C)[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)oc1C ZINC000459669931 823246861 /nfs/dbraw/zinc/24/68/61/823246861.db2.gz VDPDTLQQDCNHKH-LRDDRELGSA-N 1 0 389.414 4.117 20 0 GIADRO O=C(Nc1ccc2nc(Cc3ccccc3)oc2c1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000571862886 823247190 /nfs/dbraw/zinc/24/71/90/823247190.db2.gz XTZIYBMHFDXGQR-QHCPKHFHSA-N 1 0 390.487 4.026 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1)c1cccc(N2CCOC2=O)c1 ZINC000121778965 823248904 /nfs/dbraw/zinc/24/89/04/823248904.db2.gz JUGQOLPXKMXFOQ-JKSUJKDBSA-N 1 0 393.487 4.404 20 0 GIADRO Cc1ccc(-n2cc(CNCc3nnc(C(C)(C)C)[nH]3)c(C(C)(C)C)n2)cc1 ZINC000459685529 823250273 /nfs/dbraw/zinc/25/02/73/823250273.db2.gz VZPTTXWHHJCAEJ-UHFFFAOYSA-N 1 0 380.540 4.184 20 0 GIADRO COCC[C@@H](c1ccccc1)[NH+]1CCN(c2cc(C(F)(F)F)ccn2)CC1 ZINC000571898327 823251000 /nfs/dbraw/zinc/25/10/00/823251000.db2.gz MAGJPBYLALKVKT-SFHVURJKSA-N 1 0 379.426 4.000 20 0 GIADRO C[N@H+](CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000459692957 823251910 /nfs/dbraw/zinc/25/19/10/823251910.db2.gz ILVAQVNRVITLNG-PXNSSMCTSA-N 1 0 399.922 4.036 20 0 GIADRO c1ccc(CN2CCOCC2)c(C[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)c1 ZINC000121789855 823251994 /nfs/dbraw/zinc/25/19/94/823251994.db2.gz QYDADVWOQJYYFR-DEOSSOPVSA-N 1 0 392.543 4.011 20 0 GIADRO c1cc(CN2CCOCC2)ccc1C[NH2+][C@H]1CCCOc2cc3c(cc21)CCC3 ZINC000121790154 823252065 /nfs/dbraw/zinc/25/20/65/823252065.db2.gz YTVHTIKJJIXULY-DEOSSOPVSA-N 1 0 392.543 4.011 20 0 GIADRO CC(C)c1ccc([C@@H]([NH2+]C2CCC3(CC2)NC(=O)NC3=O)c2cccs2)cc1 ZINC000571906236 823252187 /nfs/dbraw/zinc/25/21/87/823252187.db2.gz ZOIULYXBCGBOFT-IMYXXEESSA-N 1 0 397.544 4.071 20 0 GIADRO O=C(N[C@@H](CC(F)(F)F)c1ccccc1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000057131316 823253100 /nfs/dbraw/zinc/25/31/00/823253100.db2.gz HICDNALXTQLWFI-MOPGFXCFSA-N 1 0 391.437 4.254 20 0 GIADRO CCC(CC)n1nccc1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000121804401 823254667 /nfs/dbraw/zinc/25/46/67/823254667.db2.gz KDMZXJNVOGMPQR-WIYYLYMNSA-N 1 0 382.552 4.369 20 0 GIADRO Fc1ccc([C@@H]([NH2+]CC2CCN(CC(F)(F)F)CC2)c2ccccc2)nc1 ZINC000188521102 823255809 /nfs/dbraw/zinc/25/58/09/823255809.db2.gz KNHDUHPHNYCYOM-IBGZPJMESA-N 1 0 381.417 4.174 20 0 GIADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)Nc1ccc(COCc2ccccc2)cc1 ZINC000176645609 823256403 /nfs/dbraw/zinc/25/64/03/823256403.db2.gz KVIDTINJEVBWOF-QHCPKHFHSA-N 1 0 396.531 4.135 20 0 GIADRO CN(C(=O)c1ccc(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cc1)c1ccccc1 ZINC000121823093 823258038 /nfs/dbraw/zinc/25/80/38/823258038.db2.gz LJELUNHOPBUIAQ-OAQYLSRUSA-N 1 0 395.547 4.059 20 0 GIADRO O=C([C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000057155701 823256680 /nfs/dbraw/zinc/25/66/80/823256680.db2.gz QQISQDCSQVLBQJ-SFHVURJKSA-N 1 0 391.490 4.104 20 0 GIADRO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+][C@H](C)CCc2ccc(F)cc2F)cc1 ZINC000571936399 823257304 /nfs/dbraw/zinc/25/73/04/823257304.db2.gz YVKLHNOOZFTRRU-HZPDHXFCSA-N 1 0 381.488 4.046 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)CCc2ccc(C(F)(F)F)cc2)[C@H]1n1cccn1 ZINC000571945028 823258255 /nfs/dbraw/zinc/25/82/55/823258255.db2.gz PNHIOHYMZIGIMF-ZWQIFLOQSA-N 1 0 381.442 4.231 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1csc(-c2ccccc2)n1 ZINC000000600221 817373031 /nfs/dbraw/zinc/37/30/31/817373031.db2.gz IAMCBPKOWQPFGQ-UHFFFAOYSA-N 1 0 377.513 4.205 20 0 GIADRO Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]CC1(O)Cc2ccccc2C1 ZINC000571946273 823258679 /nfs/dbraw/zinc/25/86/79/823258679.db2.gz HYKJVULIFIDWCA-INIZCTEOSA-N 1 0 378.541 4.223 20 0 GIADRO CC(C)c1noc(CN[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)n1 ZINC000459743466 823259461 /nfs/dbraw/zinc/25/94/61/823259461.db2.gz CRFGJOIBSSZINV-LEWJYISDSA-N 1 0 394.494 4.090 20 0 GIADRO Cc1ccc(C(=O)N(C)CC[N@H+](C)C2CCCCC2)cc1NC(=O)c1ccco1 ZINC000057177646 823259969 /nfs/dbraw/zinc/25/99/69/823259969.db2.gz YCVXASOBZUMXLY-UHFFFAOYSA-N 1 0 397.519 4.177 20 0 GIADRO Fc1cccc([C@@H]2CN(Cc3ccccc3)C[C@H]2[NH2+][C@H]2CCOC3(CCC3)C2)c1 ZINC000459755333 823261009 /nfs/dbraw/zinc/26/10/09/823261009.db2.gz QGXYIOJUSNQTTD-KMDXXIMOSA-N 1 0 394.534 4.485 20 0 GIADRO CCOc1ccc(C[NH2+][C@@H]2CCO[C@H]2c2cncc(Br)c2)cc1F ZINC000459758560 823261230 /nfs/dbraw/zinc/26/12/30/823261230.db2.gz ILLYNEGKBXOJRO-AEFFLSMTSA-N 1 0 395.272 4.002 20 0 GIADRO Cc1cc(C)c(C[NH2+][C@@H]2CCO[C@H]2c2cncc(Br)c2)cc1C ZINC000459775555 823263550 /nfs/dbraw/zinc/26/35/50/823263550.db2.gz XGUKBXWTYPXZSA-MOPGFXCFSA-N 1 0 375.310 4.389 20 0 GIADRO Fc1cc(C[NH2+][C@@H]2CCO[C@H]2c2cncc(Br)c2)ccc1Cl ZINC000459760140 823261503 /nfs/dbraw/zinc/26/15/03/823261503.db2.gz JQICZNAWBHUCML-CVEARBPZSA-N 1 0 385.664 4.256 20 0 GIADRO Cn1cc(CC[NH2+]C2CCN(Cc3ccncc3)CC2)c2ccc(Cl)cc21 ZINC000188558253 823261918 /nfs/dbraw/zinc/26/19/18/823261918.db2.gz OYXXWDPPTLEXLL-UHFFFAOYSA-N 1 0 382.939 4.023 20 0 GIADRO Cc1noc(C)c1CC[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000459779385 823264192 /nfs/dbraw/zinc/26/41/92/823264192.db2.gz ZSYMDYZQQSTQHR-BJKOFHAPSA-N 1 0 393.506 4.231 20 0 GIADRO COc1ccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1SC ZINC000459783837 823264679 /nfs/dbraw/zinc/26/46/79/823264679.db2.gz VZOLFYBBFXZBGP-LPHOPBHVSA-N 1 0 399.560 4.449 20 0 GIADRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)NC[C@H]1CCCC(F)(F)C1 ZINC000409626661 823265512 /nfs/dbraw/zinc/26/55/12/823265512.db2.gz JKSPJDOYBYYNPI-HOTGVXAUSA-N 1 0 385.524 4.085 20 0 GIADRO CC[C@@](C)(O)C[N@H+](Cc1ccccc1)Cc1ccc(OCc2noc(C)n2)cc1 ZINC000188580719 823265595 /nfs/dbraw/zinc/26/55/95/823265595.db2.gz FYSYTIKBOIEFJV-HSZRJFAPSA-N 1 0 395.503 4.120 20 0 GIADRO C[C@H](C[N@H+](C)[C@H](C)c1nnc(-c2cccc(Cl)c2)o1)C(=O)OC(C)(C)C ZINC000459801759 823266277 /nfs/dbraw/zinc/26/62/77/823266277.db2.gz HIXCUNCHWCVQEY-CHWSQXEVSA-N 1 0 379.888 4.361 20 0 GIADRO Cc1ccc(NC(=O)C(=O)Nc2cccc3c2C[N@H+]([C@@H](C)C(C)C)C3)c(C)c1 ZINC000188593486 823268670 /nfs/dbraw/zinc/26/86/70/823268670.db2.gz VQJNHHULKQLFOQ-KRWDZBQOSA-N 1 0 379.504 4.241 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)C2(CCF)CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000572052787 823275039 /nfs/dbraw/zinc/27/50/39/823275039.db2.gz KWSYUROCJWYTEY-DOTOQJQBSA-N 1 0 386.433 4.344 20 0 GIADRO FC(F)Oc1cc(C[NH2+][C@H]2CCc3sc(Br)cc32)ccn1 ZINC000572022495 823270517 /nfs/dbraw/zinc/27/05/17/823270517.db2.gz FYHMWUKRJFPHFH-JTQLQIEISA-N 1 0 375.238 4.284 20 0 GIADRO CC[NH+]1CCN(Cc2ccc(NC(=O)[C@H]3CCCC[C@@H]3C(F)(F)F)cc2)CC1 ZINC000057250082 823270888 /nfs/dbraw/zinc/27/08/88/823270888.db2.gz HAVPIAPQSMTROT-OALUTQOASA-N 1 0 397.485 4.131 20 0 GIADRO CC[NH+]1CCN(Cc2ccc(NC(=O)[C@@H]3CCCC[C@@H]3C(F)(F)F)cc2)CC1 ZINC000057250080 823270900 /nfs/dbraw/zinc/27/09/00/823270900.db2.gz HAVPIAPQSMTROT-MOPGFXCFSA-N 1 0 397.485 4.131 20 0 GIADRO C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)c3cnn([C@H]4CCC[NH2+]C4)c3)c2)C1 ZINC000572026469 823271114 /nfs/dbraw/zinc/27/11/14/823271114.db2.gz KFSJVYYFZBHTPE-VOQZNFBZSA-N 1 0 396.535 4.155 20 0 GIADRO CC[S@@](=O)c1ccccc1C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000121897387 823272474 /nfs/dbraw/zinc/27/24/74/823272474.db2.gz AFVWSSHIWMDFFL-JMQGSBJISA-N 1 0 398.572 4.119 20 0 GIADRO CC[NH+]1C[C@H](C)N(C(=O)c2ccc3c(c2)nc(C)n3Cc2ccsc2)[C@@H](C)C1 ZINC000572038864 823272703 /nfs/dbraw/zinc/27/27/03/823272703.db2.gz BLGHHFYIJZHAIB-HOTGVXAUSA-N 1 0 396.560 4.009 20 0 GIADRO O=C(Nc1ccc(OC2CCCC2)c(Cl)c1)N1CC[NH+](CC2CC2)CC1 ZINC000409649552 823273784 /nfs/dbraw/zinc/27/37/84/823273784.db2.gz ALMIBDNSSCANKP-UHFFFAOYSA-N 1 0 377.916 4.221 20 0 GIADRO CC1CC[NH+]([C@@H](CNC(=O)c2csc([C@@H]3CCCO3)n2)c2ccccc2)CC1 ZINC000121926197 823278376 /nfs/dbraw/zinc/27/83/76/823278376.db2.gz GHENPYORDZVMRU-PMACEKPBSA-N 1 0 399.560 4.198 20 0 GIADRO CO[C@@H](C)c1nc(C)c(C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)s1 ZINC000176731149 823279724 /nfs/dbraw/zinc/27/97/24/823279724.db2.gz OWDHLQOGEGWBJZ-CVEARBPZSA-N 1 0 387.549 4.114 20 0 GIADRO CC(C)(C)n1nc(C(=O)N2C[C@H]3CCC[N@@H+]3Cc3ccccc32)cc1C1CC1 ZINC000460020480 823279775 /nfs/dbraw/zinc/27/97/75/823279775.db2.gz ISPUOFBIVWTGFV-GOSISDBHSA-N 1 0 378.520 4.140 20 0 GIADRO CC(C)OCCCNC(=O)C1CC[NH+](CCc2ccc(C(C)(C)C)cc2)CC1 ZINC000572054415 823275226 /nfs/dbraw/zinc/27/52/26/823275226.db2.gz GWZUKIQAGAZASX-UHFFFAOYSA-N 1 0 388.596 4.170 20 0 GIADRO CCOc1ccc(NC(=O)C(=O)Nc2cccc3c2C[N@@H+]([C@H](C)C(C)C)C3)cc1 ZINC000188648231 823279977 /nfs/dbraw/zinc/27/99/77/823279977.db2.gz YZOBXHRKKYKXOH-MRXNPFEDSA-N 1 0 395.503 4.023 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)[NH2+]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)cc1 ZINC000188626721 823275696 /nfs/dbraw/zinc/27/56/96/823275696.db2.gz HOKQSDXJHVNFSP-FNHZYXHNSA-N 1 0 381.442 4.315 20 0 GIADRO C[N@H+](Cc1ccccc1CNC(=O)NCc1ccc(O)cc1)C1CCCCC1 ZINC000057286087 823275804 /nfs/dbraw/zinc/27/58/04/823275804.db2.gz RYSNMJOTYJRRHO-UHFFFAOYSA-N 1 0 381.520 4.156 20 0 GIADRO Cc1oc(-c2ccccc2)nc1C(=O)N(CCCc1ccccc1)CC[NH+](C)C ZINC000409698113 823285292 /nfs/dbraw/zinc/28/52/92/823285292.db2.gz OLOUOBUUEKNJDT-UHFFFAOYSA-N 1 0 391.515 4.287 20 0 GIADRO COc1cccc2c1CC[C@H]2[NH2+][C@@H](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000121938436 823280764 /nfs/dbraw/zinc/28/07/64/823280764.db2.gz WQLJIOPYWHSYHL-SUMWQHHRSA-N 1 0 388.895 4.351 20 0 GIADRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1scnc1C(C)C ZINC000460050984 823282037 /nfs/dbraw/zinc/28/20/37/823282037.db2.gz BWIZSJARIJGMLE-UHFFFAOYSA-N 1 0 375.563 4.376 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)Nc2ccc(OC(C)(C)C)cc2)c1 ZINC000121945745 823282529 /nfs/dbraw/zinc/28/25/29/823282529.db2.gz AMVLPHZGSNJVGW-UHFFFAOYSA-N 1 0 397.519 4.283 20 0 GIADRO C[NH+](C)CCOc1cccc(CNC(=O)Nc2cc(Cl)cc(Cl)c2)c1 ZINC000409685906 823282751 /nfs/dbraw/zinc/28/27/51/823282751.db2.gz IZIBSBCOQRFFHU-UHFFFAOYSA-N 1 0 382.291 4.256 20 0 GIADRO OC1(C[NH2+][C@H](Cc2cccnc2)c2cccc(Cl)c2)Cc2ccccc2C1 ZINC000572095096 823282919 /nfs/dbraw/zinc/28/29/19/823282919.db2.gz ZOGSJSLFMFGNKG-JOCHJYFZSA-N 1 0 378.903 4.138 20 0 GIADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N(C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000460106485 823285721 /nfs/dbraw/zinc/28/57/21/823285721.db2.gz HDOZDJDXBHCYGW-HHARLNAUSA-N 1 0 377.495 4.115 20 0 GIADRO CC(C)Oc1cccc(CN(C)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000121965237 823285752 /nfs/dbraw/zinc/28/57/52/823285752.db2.gz NNSFASBVWJSPEJ-UHFFFAOYSA-N 1 0 395.547 4.411 20 0 GIADRO CCCc1ccc([C@H](NC(=S)NCCC[NH+](C)C)c2cccs2)cc1 ZINC000007027679 817739761 /nfs/dbraw/zinc/73/97/61/817739761.db2.gz DDVZLKXBZYWKOW-IBGZPJMESA-N 1 0 375.607 4.206 20 0 GIADRO Cc1cccnc1[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(OC(F)F)cc1)C(C)C ZINC000572109456 823284753 /nfs/dbraw/zinc/28/47/53/823284753.db2.gz PSZHBHYTFMRLQH-WMLDXEAASA-N 1 0 377.435 4.305 20 0 GIADRO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000460132114 823291285 /nfs/dbraw/zinc/29/12/85/823291285.db2.gz JLLTUYOYRPMCBL-QAPCUYQASA-N 1 0 380.454 4.212 20 0 GIADRO CN(C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000460117014 823287742 /nfs/dbraw/zinc/28/77/42/823287742.db2.gz KWUKQVDLZIXIET-HYVNUMGLSA-N 1 0 389.437 4.191 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccc(F)c(F)c1F ZINC000176782224 823291448 /nfs/dbraw/zinc/29/14/48/823291448.db2.gz NAAPKUGLQUMFRV-UHFFFAOYSA-N 1 0 382.813 4.152 20 0 GIADRO CCS(=O)(=O)c1ccc(N2CCC([NH2+][C@H](C)CCC=C(C)C)CC2)cc1 ZINC000121977580 823287880 /nfs/dbraw/zinc/28/78/80/823287880.db2.gz TZYMRHVKJTUPCU-GOSISDBHSA-N 1 0 378.582 4.174 20 0 GIADRO O=C([C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000409709770 823287977 /nfs/dbraw/zinc/28/79/77/823287977.db2.gz CEPDDYXTRJFRKH-XLIONFOSSA-N 1 0 394.918 4.034 20 0 GIADRO C[C@H](CNC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)c1ccc(F)cc1 ZINC000460122065 823288747 /nfs/dbraw/zinc/28/87/47/823288747.db2.gz WTLZLUIEAOKRIH-COPCDDAFSA-N 1 0 395.522 4.093 20 0 GIADRO CCN(C(=O)Nc1cnn(-c2ccccc2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000460123060 823289126 /nfs/dbraw/zinc/28/91/26/823289126.db2.gz AQYDOVFKZWRQLO-QFIPXVFZSA-N 1 0 389.503 4.001 20 0 GIADRO CC(C)C[C@@H](NC(=O)NC1CC[NH+](Cc2ccccn2)CC1)c1cccs1 ZINC000057393815 823289358 /nfs/dbraw/zinc/28/93/58/823289358.db2.gz YUICRPMMQIICTI-LJQANCHMSA-N 1 0 386.565 4.194 20 0 GIADRO CCOc1ccc(NC(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000572142706 823289592 /nfs/dbraw/zinc/28/95/92/823289592.db2.gz GNDZUEADWFOYIB-WOJBJXKFSA-N 1 0 379.504 4.071 20 0 GIADRO CCC(CC)[C@@H](NC(=O)NCC1(SC)CC[NH+](C)CC1)c1ccccc1 ZINC000460126699 823289912 /nfs/dbraw/zinc/28/99/12/823289912.db2.gz HHIVETRKGQKUAO-LJQANCHMSA-N 1 0 377.598 4.291 20 0 GIADRO CSc1cccc(F)c1C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000409720295 823290260 /nfs/dbraw/zinc/29/02/60/823290260.db2.gz CKGKWZJTURWYIY-UHFFFAOYSA-N 1 0 382.888 4.394 20 0 GIADRO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)NC(C)(CC)CC)ccc1Cl ZINC000121995447 823290201 /nfs/dbraw/zinc/29/02/01/823290201.db2.gz BNAAAUJWBRJRQU-UHFFFAOYSA-N 1 0 396.963 4.112 20 0 GIADRO C[C@H]1C[NH+](CCC2CCN(C(=O)Nc3ccc(F)cc3Cl)CC2)C[C@H](C)O1 ZINC000176778158 823290933 /nfs/dbraw/zinc/29/09/33/823290933.db2.gz FUJZTQDPVNVMKK-GJZGRUSLSA-N 1 0 397.922 4.222 20 0 GIADRO Cc1c(Br)cc(C[NH2+][C@H](C)c2cnn(C)c2)cc1Br ZINC000572189727 823297403 /nfs/dbraw/zinc/29/74/03/823297403.db2.gz FBRNKJITKNRXOQ-SNVBAGLBSA-N 1 0 387.119 4.104 20 0 GIADRO O=C(CCC(=O)c1ccc(F)cc1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000007447609 817843681 /nfs/dbraw/zinc/84/36/81/817843681.db2.gz TZSIFAHYEZLIAY-UHFFFAOYSA-N 1 0 382.479 4.091 20 0 GIADRO Cc1ccnn1-c1ccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000007448829 817844063 /nfs/dbraw/zinc/84/40/63/817844063.db2.gz DIUPKXJGKLHOIH-UHFFFAOYSA-N 1 0 388.515 4.097 20 0 GIADRO CC[NH+]1CCC(NC(=O)N2CC[C@@H](C)[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000122013699 823293132 /nfs/dbraw/zinc/29/31/32/823293132.db2.gz VGWNMPSSNWJLET-RDTXWAMCSA-N 1 0 383.458 4.282 20 0 GIADRO Cn1cc([C@@H]([NH2+]CCc2ccccc2OC(F)F)c2cccc(F)c2)cn1 ZINC000188724712 823293667 /nfs/dbraw/zinc/29/36/67/823293667.db2.gz ICNBMJQGXVUULC-IBGZPJMESA-N 1 0 375.394 4.082 20 0 GIADRO CC(C)C[C@H](C)n1nccc1NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000460138877 823293842 /nfs/dbraw/zinc/29/38/42/823293842.db2.gz YSXNDZCBMULUEF-SFHVURJKSA-N 1 0 383.540 4.276 20 0 GIADRO C[C@H]([NH2+]CCc1ccccc1OC(F)F)c1cccc(N2CCOC2=O)c1 ZINC000188726432 823293912 /nfs/dbraw/zinc/29/39/12/823293912.db2.gz PKTSXBQKWVEPCF-AWEZNQCLSA-N 1 0 376.403 4.138 20 0 GIADRO CCOc1ccc(NC(=S)N(CCC[NH+](C)C)Cc2cccs2)cc1 ZINC000007531176 817862896 /nfs/dbraw/zinc/86/28/96/817862896.db2.gz QHDKHXSXRKQEDN-UHFFFAOYSA-N 1 0 377.579 4.298 20 0 GIADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(NC(=O)c3cccnc3)cc2)C12CCCC2 ZINC000572192915 823297651 /nfs/dbraw/zinc/29/76/51/823297651.db2.gz FILAJRXFSBXPMT-NHCUHLMSSA-N 1 0 379.504 4.161 20 0 GIADRO COc1cccc(C[NH2+][C@@H]2c3cc(Br)ccc3SC[C@H]2C)n1 ZINC000572192458 823297673 /nfs/dbraw/zinc/29/76/73/823297673.db2.gz HHMTXTKWHLICHH-DIFFPNOSSA-N 1 0 379.323 4.425 20 0 GIADRO COc1cccc(C[NH2+][C@@H]2c3cc(Br)ccc3SC[C@@H]2C)n1 ZINC000572192459 823297679 /nfs/dbraw/zinc/29/76/79/823297679.db2.gz HHMTXTKWHLICHH-GTNSWQLSSA-N 1 0 379.323 4.425 20 0 GIADRO COc1ccc([C@H](CNC(=S)Nc2cccc(OC)c2)[NH+]2CCCCC2)cc1 ZINC000007585206 817874714 /nfs/dbraw/zinc/87/47/14/817874714.db2.gz GPSLWJJYDWPHJT-NRFANRHFSA-N 1 0 399.560 4.217 20 0 GIADRO COc1c(Br)cc(Br)cc1C[NH2+]C[C@@H]1CCCS1 ZINC000122026794 823295514 /nfs/dbraw/zinc/29/55/14/823295514.db2.gz HEEJTGSZKJESMQ-NSHDSACASA-N 1 0 395.160 4.205 20 0 GIADRO Brc1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)o1 ZINC000188739286 823295539 /nfs/dbraw/zinc/29/55/39/823295539.db2.gz WAYJMFYFYLQONT-ALOPSCKCSA-N 1 0 375.310 4.327 20 0 GIADRO Clc1cccc(N2CCOCC2)c1C[NH2+]CC1CCN(c2ccccc2)CC1 ZINC000572182933 823295949 /nfs/dbraw/zinc/29/59/49/823295949.db2.gz WGHDPYPBZOXNDM-UHFFFAOYSA-N 1 0 399.966 4.183 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)N[C@H]1CCc2sc(Cl)cc21)c1ccco1 ZINC000460144149 823295981 /nfs/dbraw/zinc/29/59/81/823295981.db2.gz TUSQJFSJYXTITN-KBPBESRZSA-N 1 0 381.929 4.364 20 0 GIADRO COc1ccc([C@@H](CNC(=S)Nc2ccc(Cl)cc2)[NH+]2CCCC2)cc1 ZINC000007662656 817890521 /nfs/dbraw/zinc/89/05/21/817890521.db2.gz JDCTVHLOOSSXCD-LJQANCHMSA-N 1 0 389.952 4.472 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Cc1coc2ccc3ccccc3c12)Cc1ccccc1 ZINC000007683568 817894322 /nfs/dbraw/zinc/89/43/22/817894322.db2.gz LPSWXMYXRAPGQW-OAQYLSRUSA-N 1 0 386.495 4.418 20 0 GIADRO COc1ccccc1[C@H](C[NH2+]Cc1c(F)cccc1N1CCCC1)N1CCCC1 ZINC000409741725 823296588 /nfs/dbraw/zinc/29/65/88/823296588.db2.gz PTBNFWSIUDBOHF-QHCPKHFHSA-N 1 0 397.538 4.361 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)ccc1S(C)(=O)=O ZINC000188745066 823296831 /nfs/dbraw/zinc/29/68/31/823296831.db2.gz WPCGHKKKJRHUIZ-HQRMLTQVSA-N 1 0 387.545 4.161 20 0 GIADRO CCOc1ccc(C[NH2+]Cc2cccc(Br)c2OC)cc1OC ZINC000176805644 823297309 /nfs/dbraw/zinc/29/73/09/823297309.db2.gz VUEGLYDFGJGBTO-UHFFFAOYSA-N 1 0 380.282 4.155 20 0 GIADRO COc1ccc(C2=NN(C(=O)C[N@H+](C)C3CCCCC3)[C@H](c3ccco3)C2)cc1 ZINC000007786430 817914715 /nfs/dbraw/zinc/91/47/15/817914715.db2.gz MQZAVBCRYOFYQW-NRFANRHFSA-N 1 0 395.503 4.230 20 0 GIADRO O=C(C(Cc1ccccc1)Cc1ccccc1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000409760307 823300877 /nfs/dbraw/zinc/30/08/77/823300877.db2.gz VFKAKXWVVQVOQH-XMMPIXPASA-N 1 0 390.571 4.422 20 0 GIADRO COc1cc(C)ccc1Oc1ccc(NC(=O)NC[C@H]2CC[N@H+](C)C2)cc1F ZINC000572216627 823302633 /nfs/dbraw/zinc/30/26/33/823302633.db2.gz LYFOYRZLONZWSI-OAHLLOKOSA-N 1 0 387.455 4.008 20 0 GIADRO CCCCNC(=O)NC(=O)C[NH2+][C@H](c1cccs1)c1ccc(C(C)C)cc1 ZINC000007876965 817946890 /nfs/dbraw/zinc/94/68/90/817946890.db2.gz MYVYMKQCXGNDRU-FQEVSTJZSA-N 1 0 387.549 4.176 20 0 GIADRO O=C(CCCC1CCOCC1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000409767259 823302892 /nfs/dbraw/zinc/30/28/92/823302892.db2.gz AWDLUOGHRUCXSX-DEOSSOPVSA-N 1 0 384.564 4.098 20 0 GIADRO Cc1nn(Cc2ccccc2)c2sc(C(=O)NCCC[NH+]3CCCCC3)cc12 ZINC000007923204 817959995 /nfs/dbraw/zinc/95/99/95/817959995.db2.gz NFJNPTKXKOBGOJ-UHFFFAOYSA-N 1 0 396.560 4.060 20 0 GIADRO Cc1ccc2c(C[NH+]3CCC(C(=O)Nc4ccccc4)CC3)cc(=O)oc2c1C ZINC000008004295 817979409 /nfs/dbraw/zinc/97/94/09/817979409.db2.gz FNSXTJLRDGJNJG-UHFFFAOYSA-N 1 0 390.483 4.261 20 0 GIADRO CCCOc1ncccc1C[NH2+][C@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000122059204 823300228 /nfs/dbraw/zinc/30/02/28/823300228.db2.gz MIQDBTMXPFKMSI-CQSZACIVSA-N 1 0 395.425 4.396 20 0 GIADRO O=C(CC[NH2+]CCc1nc2cc(Cl)ccc2s1)Nc1cc(F)cc(F)c1 ZINC000572227056 823304228 /nfs/dbraw/zinc/30/42/28/823304228.db2.gz KOYXNXLJSBUSKB-UHFFFAOYSA-N 1 0 395.862 4.389 20 0 GIADRO Cc1cnc([C@@H](NC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)C2CC2)s1 ZINC000176830295 823304342 /nfs/dbraw/zinc/30/43/42/823304342.db2.gz ZUCHUCDBSNFMFB-UZLBHIALSA-N 1 0 398.576 4.427 20 0 GIADRO C[NH+]1CCN(c2ccccc2NC(=O)CCSc2ccc(Cl)cc2)CC1 ZINC000057501163 823304800 /nfs/dbraw/zinc/30/48/00/823304800.db2.gz LBRNQQZDHQXLDX-UHFFFAOYSA-N 1 0 389.952 4.213 20 0 GIADRO COc1cccc(C(=O)NCC[NH2+]Cc2cccc(Oc3ccccc3)c2)c1 ZINC000008167018 818010393 /nfs/dbraw/zinc/01/03/93/818010393.db2.gz ZOTPLYXPPQFEQD-UHFFFAOYSA-N 1 0 376.456 4.007 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)c2cc(F)c(F)cc2Cl)CC1 ZINC000057511965 823305764 /nfs/dbraw/zinc/30/57/64/823305764.db2.gz AMJARHLZSHZYND-UHFFFAOYSA-N 1 0 379.838 4.012 20 0 GIADRO CN(Cc1ccc(F)cc1)C(=O)C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000008261484 818025365 /nfs/dbraw/zinc/02/53/65/818025365.db2.gz XMYSSPHYLWHKJV-KRWDZBQOSA-N 1 0 397.519 4.273 20 0 GIADRO COC(=O)c1ccc(C)c(NC(=O)C[NH2+][C@H](C)c2cccc3ccccc32)c1 ZINC000008268414 818027199 /nfs/dbraw/zinc/02/71/99/818027199.db2.gz JFWKFMIFWOQVGA-MRXNPFEDSA-N 1 0 376.456 4.224 20 0 GIADRO CCC(CC)N(CC)C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000460177111 823306598 /nfs/dbraw/zinc/30/65/98/823306598.db2.gz VPHYUFIRGPTIAV-HDICACEKSA-N 1 0 375.557 4.016 20 0 GIADRO CC[C@@H](c1nnc(N2CCC[C@@H]([NH+]3CCCC3)CC2)n1CC)c1ccccc1 ZINC000460178419 823306943 /nfs/dbraw/zinc/30/69/43/823306943.db2.gz OSERBEJVVSUSHN-NHCUHLMSSA-N 1 0 381.568 4.295 20 0 GIADRO COc1cc(NC(=O)C[N@H+](Cc2ccccc2)C(C)C)c(OC)cc1Cl ZINC000011035948 818046137 /nfs/dbraw/zinc/04/61/37/818046137.db2.gz HMFWLWQKGFLFHC-UHFFFAOYSA-N 1 0 376.884 4.206 20 0 GIADRO CC[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccc(OC)c(OC)c1)c1ccc(Cl)cc1 ZINC000011048561 818047701 /nfs/dbraw/zinc/04/77/01/818047701.db2.gz KHPCKBXMYGFQEY-KBXCAEBGSA-N 1 0 390.911 4.103 20 0 GIADRO C[C@H]([NH2+]CC(c1ccccc1)c1ccccc1)C(=O)Nc1cccnc1Cl ZINC000011046737 818047771 /nfs/dbraw/zinc/04/77/71/818047771.db2.gz IBRZVUWCKBVIKS-INIZCTEOSA-N 1 0 379.891 4.484 20 0 GIADRO CCn1c(Cc2ccc3ccccc3c2)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000460180225 823307654 /nfs/dbraw/zinc/30/76/54/823307654.db2.gz WEULBIXTACBQGA-GCJKJVERSA-N 1 0 391.563 4.209 20 0 GIADRO COc1cnccc1[C@@H](C)[NH2+][C@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000188797856 823307898 /nfs/dbraw/zinc/30/78/98/823307898.db2.gz ZIPHBULPHJXLDM-CHWSQXEVSA-N 1 0 397.397 4.057 20 0 GIADRO COc1ccc(C[N@@H+]2CCCN(c3ncnc4sc(C)c(C)c43)CC2)cc1 ZINC000011172812 818059023 /nfs/dbraw/zinc/05/90/23/818059023.db2.gz XZKJXUGWCBNBMM-UHFFFAOYSA-N 1 0 382.533 4.029 20 0 GIADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000572263546 823309795 /nfs/dbraw/zinc/30/97/95/823309795.db2.gz JWIOPCDBPDULDR-SUMDDJOVSA-N 1 0 389.337 4.000 20 0 GIADRO CCc1ccc2c(C[N@H+](CC)Cc3ccc(OC)c(OC)c3)cc(=O)oc2c1 ZINC000011365759 818075014 /nfs/dbraw/zinc/07/50/14/818075014.db2.gz KYSZNSIYQRHFBS-UHFFFAOYSA-N 1 0 381.472 4.395 20 0 GIADRO CCN(c1nnc(-c2cccnc2)n1CC)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000460187846 823310289 /nfs/dbraw/zinc/31/02/89/823310289.db2.gz GXVIKIAVBHQXGR-GHTZIAJQSA-N 1 0 390.535 4.022 20 0 GIADRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)c1ccc2c(c1)nc(C(F)F)n2C ZINC000409800088 823310364 /nfs/dbraw/zinc/31/03/64/823310364.db2.gz SUQNUOSVVAVWNO-CVEARBPZSA-N 1 0 392.494 4.141 20 0 GIADRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)nc(C(F)F)n2C ZINC000409800090 823310398 /nfs/dbraw/zinc/31/03/98/823310398.db2.gz SUQNUOSVVAVWNO-HZPDHXFCSA-N 1 0 392.494 4.141 20 0 GIADRO CCN(c1nnc(-c2cccnc2)n1CC)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000460187847 823310401 /nfs/dbraw/zinc/31/04/01/823310401.db2.gz GXVIKIAVBHQXGR-NQIIRXRSSA-N 1 0 390.535 4.022 20 0 GIADRO C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C(=O)NC2CC[NH+](CCc3ccccc3)CC2)o1 ZINC000409801689 823310874 /nfs/dbraw/zinc/31/08/74/823310874.db2.gz QFXYJEADVOGCGL-YCZSINBZSA-N 1 0 392.543 4.330 20 0 GIADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1ccc2ncsc2c1 ZINC000176857696 823311351 /nfs/dbraw/zinc/31/13/51/823311351.db2.gz GVMNVPRTOJYKND-GOSISDBHSA-N 1 0 395.532 4.210 20 0 GIADRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1cnc(Cl)c(Cl)c1 ZINC000011752850 818116571 /nfs/dbraw/zinc/11/65/71/818116571.db2.gz VMMBUWUTJZPSEB-PBHICJAKSA-N 1 0 376.287 4.145 20 0 GIADRO O=C(Nc1cccc(N2CCCC2=O)c1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000011916815 818128407 /nfs/dbraw/zinc/12/84/07/818128407.db2.gz CXQBPXXZGQGHQL-UHFFFAOYSA-N 1 0 377.488 4.052 20 0 GIADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)c2ccc(Cl)cc2F)[C@H](C)C1 ZINC000188827300 823314141 /nfs/dbraw/zinc/31/41/41/823314141.db2.gz JFLASPHZDIZPRQ-DNVCBOLYSA-N 1 0 398.950 4.010 20 0 GIADRO CCOc1ccc(C(F)(F)F)cc1NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000409811715 823314238 /nfs/dbraw/zinc/31/42/38/823314238.db2.gz MWNYPUQOCMFPLJ-UHFFFAOYSA-N 1 0 387.446 4.489 20 0 GIADRO CC[C@@H](NC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1)c1c(C)noc1C ZINC000122168497 823316072 /nfs/dbraw/zinc/31/60/72/823316072.db2.gz GNXUYLVPAAMENT-OAQYLSRUSA-N 1 0 398.551 4.474 20 0 GIADRO COc1cc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)ccc1OC(F)F ZINC000012284725 818152918 /nfs/dbraw/zinc/15/29/18/818152918.db2.gz WHUXQPJBNOXOCD-MRXNPFEDSA-N 1 0 390.430 4.147 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1cc(Br)ccc1Cl)c1ccsc1 ZINC000012348546 818156047 /nfs/dbraw/zinc/15/60/47/818156047.db2.gz QJIGWMBHQGNEFH-AWEZNQCLSA-N 1 0 387.730 4.197 20 0 GIADRO CSc1cc(Br)ccc1C[NH2+][C@H]1CCC[C@H](N2CCCC2=O)C1 ZINC000572304641 823316667 /nfs/dbraw/zinc/31/66/67/823316667.db2.gz WHTUMKVCZPLBCX-HOTGVXAUSA-N 1 0 397.382 4.194 20 0 GIADRO Cc1nc(CC(C)C)oc1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000188849047 823317004 /nfs/dbraw/zinc/31/70/04/823317004.db2.gz UENMXYXFTHGJAU-XLIONFOSSA-N 1 0 383.536 4.307 20 0 GIADRO COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]C[C@H]2CCN(c3cccc(OC)c3)C2)cc1 ZINC000572308500 823317412 /nfs/dbraw/zinc/31/74/12/823317412.db2.gz BHGMHVGTKPWSIP-ZERDBPEESA-N 1 0 380.532 4.312 20 0 GIADRO COc1ccc([C@@H](CNC(=O)Nc2cccc(OC)c2)[NH+]2CCCCC2)cc1 ZINC000013048777 818201204 /nfs/dbraw/zinc/20/12/04/818201204.db2.gz AHJQDTFQSRPJOJ-OAQYLSRUSA-N 1 0 383.492 4.053 20 0 GIADRO CCn1c(Cc2cccc3ccccc32)nnc1N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000460215109 823319953 /nfs/dbraw/zinc/31/99/53/823319953.db2.gz WYPMQXGJNHDZAM-NQIIRXRSSA-N 1 0 391.563 4.351 20 0 GIADRO CC(C)[NH+](CCNC(=O)c1cc(-c2cccnc2)nc2ccccc21)C(C)C ZINC000014062069 818219370 /nfs/dbraw/zinc/21/93/70/818219370.db2.gz GUHVPTFPDKRVIX-UHFFFAOYSA-N 1 0 376.504 4.145 20 0 GIADRO O=C(C[NH2+][C@H]1CCc2c1cc(Cl)cc2Cl)N[C@@H]1CCOc2ccccc21 ZINC000409837851 823321264 /nfs/dbraw/zinc/32/12/64/823321264.db2.gz TUKUURUTZHXSLT-ZWKOTPCHSA-N 1 0 391.298 4.210 20 0 GIADRO COc1ccccc1OCC[NH2+]Cc1c(-c2ccccc2)nc2sccn12 ZINC000014213427 818228888 /nfs/dbraw/zinc/22/88/88/818228888.db2.gz KUEYIRZHMXRWGZ-UHFFFAOYSA-N 1 0 379.485 4.240 20 0 GIADRO C[C@H](CNC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)[N@H+](C)C1CC1 ZINC000057705920 823323562 /nfs/dbraw/zinc/32/35/62/823323562.db2.gz VGQZNRKFQUIUCS-LLVKDONJSA-N 1 0 398.359 4.258 20 0 GIADRO Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000057711094 823324028 /nfs/dbraw/zinc/32/40/28/823324028.db2.gz RJGSKFWWZAAUNH-SNVBAGLBSA-N 1 0 382.291 4.169 20 0 GIADRO CCCCc1nnc(N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)n1CC ZINC000460229712 823324098 /nfs/dbraw/zinc/32/40/98/823324098.db2.gz KUTOBZRLVJSGBV-HSZRJFAPSA-N 1 0 381.568 4.133 20 0 GIADRO Cc1ccc(C(=O)CCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000014796416 818267548 /nfs/dbraw/zinc/26/75/48/818267548.db2.gz IJAFZOSTNZKVCR-UHFFFAOYSA-N 1 0 378.516 4.047 20 0 GIADRO Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]CCCc1nnc2n1CCCCC2 ZINC000122228141 823324428 /nfs/dbraw/zinc/32/44/28/823324428.db2.gz PMXOPFWFRADXJV-SFHVURJKSA-N 1 0 388.943 4.402 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(-c3ccc4ccccc4c3)n[nH]2)[C@@H](C)C1 ZINC000572357480 823326831 /nfs/dbraw/zinc/32/68/31/823326831.db2.gz XTXLQENVINNBMR-KSFYIVLOSA-N 1 0 376.504 4.032 20 0 GIADRO CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000572359418 823327255 /nfs/dbraw/zinc/32/72/55/823327255.db2.gz HUKNSUHHWWOPOM-RBUKOAKNSA-N 1 0 397.567 4.107 20 0 GIADRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)NC(C2CC2)C2CC2)cc1 ZINC000057749896 823328389 /nfs/dbraw/zinc/32/83/89/823328389.db2.gz YSPRWEVRSMLWHV-UHFFFAOYSA-N 1 0 377.532 4.403 20 0 GIADRO COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CCC[C@@H]2C)cc1 ZINC000409860573 823328787 /nfs/dbraw/zinc/32/87/87/823328787.db2.gz UTUIMRCFBWSDDC-BXWFABGCSA-N 1 0 395.503 4.053 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(OC)c(F)c1)c1cccc(OC)c1 ZINC000057755509 823328895 /nfs/dbraw/zinc/32/88/95/823328895.db2.gz CHANNIKXPQXSNX-IBGZPJMESA-N 1 0 389.471 4.048 20 0 GIADRO CC(C)[C@H]([NH2+]CCC(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccccc1 ZINC000015550290 818337956 /nfs/dbraw/zinc/33/79/56/818337956.db2.gz RJROLVDSJYNQCA-QHCPKHFHSA-N 1 0 379.504 4.129 20 0 GIADRO O=C(Nc1ccc(-c2ccc(Cl)cc2Cl)nc1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000572376091 823329611 /nfs/dbraw/zinc/32/96/11/823329611.db2.gz SDHCLUIMCPYZTJ-YVEFUNNKSA-N 1 0 391.302 4.271 20 0 GIADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(Cl)cc2OC(F)F)C1 ZINC000460247512 823329819 /nfs/dbraw/zinc/32/98/19/823329819.db2.gz ONRVMCNBGPNNLV-LBPRGKRZSA-N 1 0 375.847 4.041 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(Sc3ncccn3)cc2C)C1 ZINC000176950125 823332422 /nfs/dbraw/zinc/33/24/22/823332422.db2.gz UDRFGYPYCGZSQA-KRWDZBQOSA-N 1 0 399.564 4.132 20 0 GIADRO Cc1cc(Br)cc(C)c1NC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000057773399 823330808 /nfs/dbraw/zinc/33/08/08/823330808.db2.gz KHYCTSMCVSUTAY-UHFFFAOYSA-N 1 0 382.346 4.452 20 0 GIADRO Cc1[nH]c2ccccc2c1CC(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000572386861 823330989 /nfs/dbraw/zinc/33/09/89/823330989.db2.gz KACWPFNXKVEXHG-QGZVFWFLSA-N 1 0 383.923 4.134 20 0 GIADRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3nc(-c4ccccc4Cl)cs3)[C@H]2C1 ZINC000572401483 823332897 /nfs/dbraw/zinc/33/28/97/823332897.db2.gz BGMGJEQBEZKLNG-QILLFSRXSA-N 1 0 389.952 4.200 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2csc(-c3ccc(Cl)cc3)n2)[C@H](C)C1 ZINC000122290226 823333205 /nfs/dbraw/zinc/33/32/05/823333205.db2.gz VIJQDPWOLMDUNY-DYVFJYSZSA-N 1 0 377.941 4.266 20 0 GIADRO C[C@H](O)[C@H](N[C@H]1CCc2c1c(Br)ccc2F)c1ccccc1F ZINC000572413716 823334812 /nfs/dbraw/zinc/33/48/12/823334812.db2.gz QGZZMPFBIYEOSW-BMIZZYGASA-N 1 0 382.248 4.426 20 0 GIADRO C[NH+](C)[C@H](CNC(=S)Nc1ccc(Cl)cc1Cl)Cc1ccccc1 ZINC000016242200 818409604 /nfs/dbraw/zinc/40/96/04/818409604.db2.gz QLDWCAPLFABICI-HNNXBMFYSA-N 1 0 382.360 4.453 20 0 GIADRO CCOC(=O)c1ccc(NC(=S)NC[C@H](c2ccc(CC)cc2)[NH+](C)C)cc1 ZINC000016242648 818409631 /nfs/dbraw/zinc/40/96/31/818409631.db2.gz NYTXTUXFNGUNSK-HXUWFJFHSA-N 1 0 399.560 4.015 20 0 GIADRO C[NH+](C)[C@@H](CNC(=S)Nc1cccc(C(F)(F)F)c1)c1cccc(F)c1 ZINC000016242586 818409721 /nfs/dbraw/zinc/40/97/21/818409721.db2.gz YLMVNHJFKXKSSW-INIZCTEOSA-N 1 0 385.430 4.434 20 0 GIADRO COc1cccc([C@@H](CNC(=S)Nc2ccc(F)cc2F)[NH+]2CCCC2)c1 ZINC000016244954 818410207 /nfs/dbraw/zinc/41/02/07/818410207.db2.gz GOFGTVRIDRFEBD-LJQANCHMSA-N 1 0 391.487 4.097 20 0 GIADRO CCOc1ccc(NC(=S)NC[C@H](c2cccc(OC)c2)[NH+]2CCCC2)cc1 ZINC000016244942 818410528 /nfs/dbraw/zinc/41/05/28/818410528.db2.gz LNMGMAAZSNFUBF-OAQYLSRUSA-N 1 0 399.560 4.217 20 0 GIADRO COc1ccccc1NC(=S)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000016245175 818411046 /nfs/dbraw/zinc/41/10/46/818411046.db2.gz HVVGJEBJNYKVCZ-SFHVURJKSA-N 1 0 389.952 4.472 20 0 GIADRO C[C@@H](NCc1ccccc1OCC[NH+](C)C)c1ccccc1Br ZINC000122303622 823335345 /nfs/dbraw/zinc/33/53/45/823335345.db2.gz PIBUVMXFGFIFJP-OAHLLOKOSA-N 1 0 377.326 4.240 20 0 GIADRO COc1ccc([C@@H](CNC(=S)Nc2cccc(Cl)c2)[NH+]2CCCC2)cc1 ZINC000016315659 818421991 /nfs/dbraw/zinc/42/19/91/818421991.db2.gz PEBLBGPGFTXKRK-LJQANCHMSA-N 1 0 389.952 4.472 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N[C@@H]2CCc3cc(N)ccc32)cc1 ZINC000572424882 823336793 /nfs/dbraw/zinc/33/67/93/823336793.db2.gz WJZDCFQTMMIMDG-UZUQRXQVSA-N 1 0 392.547 4.130 20 0 GIADRO COc1ccc(NC(=S)Nc2ccc(CC[NH+]3CCSCC3)cc2)cc1 ZINC000057817347 823337114 /nfs/dbraw/zinc/33/71/14/823337114.db2.gz AGHPIMWGNHBLLB-UHFFFAOYSA-N 1 0 387.574 4.095 20 0 GIADRO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccc(C(C)(C)C)cc1 ZINC000016556657 818454789 /nfs/dbraw/zinc/45/47/89/818454789.db2.gz FDOSPSNNHKMQOY-UHFFFAOYSA-N 1 0 381.520 4.403 20 0 GIADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1ccc2[nH]c(C)cc2c1 ZINC000176978369 823340814 /nfs/dbraw/zinc/34/08/14/823340814.db2.gz MOWJYVZZTHTANV-OAQYLSRUSA-N 1 0 391.519 4.390 20 0 GIADRO CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)c2ccc(F)cc2OC(F)F)[C@H](C)C1 ZINC000122340304 823340970 /nfs/dbraw/zinc/34/09/70/823340970.db2.gz ULNHVYNCMLUYQS-VKJFTORMSA-N 1 0 388.474 4.215 20 0 GIADRO CCc1nc2c(s1)[C@H]([NH2+]C1CCN(c3ccc(N(C)C)cc3)CC1)CCC2 ZINC000122341860 823341000 /nfs/dbraw/zinc/34/10/00/823341000.db2.gz YPJUZDXYRPIFSY-LJQANCHMSA-N 1 0 384.593 4.408 20 0 GIADRO Cc1cc(NC(=O)NC[C@H](C)C[NH+]2CCCCC2)ccc1NC(=O)c1ccco1 ZINC000057849962 823341173 /nfs/dbraw/zinc/34/11/73/823341173.db2.gz STQUCEIAFKBMGD-INIZCTEOSA-N 1 0 398.507 4.084 20 0 GIADRO CC[NH+]1CCC(n2nccc2NC(=O)CCCCCc2ccc(F)cc2)CC1 ZINC000189022132 823343236 /nfs/dbraw/zinc/34/32/36/823343236.db2.gz WVZXVCAEOYPJCS-UHFFFAOYSA-N 1 0 386.515 4.421 20 0 GIADRO CCCC[C@H]([NH2+]Cc1ccc(F)nc1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000189021405 823343291 /nfs/dbraw/zinc/34/32/91/823343291.db2.gz SKYGXYJYAKAJKG-FQEVSTJZSA-N 1 0 384.499 4.108 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=S)Nc1ccccc1F)c1cccc(OC)c1 ZINC000017516636 818517974 /nfs/dbraw/zinc/51/79/74/818517974.db2.gz LCBJHQCQTRCWDT-IBGZPJMESA-N 1 0 375.513 4.204 20 0 GIADRO Cc1ccc(-n2cc(C(=O)NC3CC[NH+](CC4CC4)CC3)c(C(C)(C)C)n2)cc1 ZINC000176983672 823342066 /nfs/dbraw/zinc/34/20/66/823342066.db2.gz JEVADICQSRTHCA-UHFFFAOYSA-N 1 0 394.563 4.082 20 0 GIADRO Cc1nc2ccccc2n1CCCCC[NH+]1CCC(Nc2ccccn2)CC1 ZINC000572453447 823342771 /nfs/dbraw/zinc/34/27/71/823342771.db2.gz RDCRQONBWNYZPU-UHFFFAOYSA-N 1 0 377.536 4.487 20 0 GIADRO COCCC1(C[NH2+][C@H](C)CC(=O)Nc2cc(Cl)ccc2OC)CCCC1 ZINC000122401617 823349299 /nfs/dbraw/zinc/34/92/99/823349299.db2.gz YOTVLUPAPOGXPI-OAHLLOKOSA-N 1 0 382.932 4.252 20 0 GIADRO Clc1cnc(-n2cc(N[C@H]3CC[NH2+][C@@H](c4ccccc4)C3)cn2)c(Cl)c1 ZINC000572464048 823344762 /nfs/dbraw/zinc/34/47/62/823344762.db2.gz BKJDQHOAZDNDLT-MAUKXSAKSA-N 1 0 388.302 4.479 20 0 GIADRO c1sc(-c2ccc3c(c2)OCO3)nc1CNC1CC[NH+](C2CCCC2)CC1 ZINC000176992967 823344874 /nfs/dbraw/zinc/34/48/74/823344874.db2.gz DDHSKQIRLFOXLI-UHFFFAOYSA-N 1 0 385.533 4.035 20 0 GIADRO C[C@H](NC(=O)N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000572466924 823345524 /nfs/dbraw/zinc/34/55/24/823345524.db2.gz WEJFAAGVCPAKIE-GARXJVFOSA-N 1 0 383.458 4.029 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)CCc2cccc(C(F)(F)F)c2)[C@@H]1n1cccn1 ZINC000572468264 823345547 /nfs/dbraw/zinc/34/55/47/823345547.db2.gz ICMMNLSAJIXCDA-FZDIXFNVSA-N 1 0 381.442 4.231 20 0 GIADRO O[C@H](CN1CCC(C[NH+]2CCCCCC2)CC1)c1cccc(Br)c1 ZINC000057889642 823345546 /nfs/dbraw/zinc/34/55/46/823345546.db2.gz ZVHINJGYVPNEBL-HXUWFJFHSA-N 1 0 395.385 4.071 20 0 GIADRO COc1ccc([C@H](CNC(=O)c2ccc(C(F)(F)F)cc2)[NH+]2CCCC2)cc1 ZINC000018184308 818555168 /nfs/dbraw/zinc/55/51/68/818555168.db2.gz LYTQTEBTMZSZJL-IBGZPJMESA-N 1 0 392.421 4.281 20 0 GIADRO Cc1nc(COc2ccc(C[NH2+][C@H]3CCCc4c(F)cc(F)cc43)cc2)no1 ZINC000572471566 823346232 /nfs/dbraw/zinc/34/62/32/823346232.db2.gz NHDAWDJAMMRANT-FQEVSTJZSA-N 1 0 385.414 4.402 20 0 GIADRO Nc1ccc(F)c(NC(=O)CC[N@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)c1 ZINC000176998982 823346420 /nfs/dbraw/zinc/34/64/20/823346420.db2.gz NLBAERYHUHQATR-NRFANRHFSA-N 1 0 389.474 4.384 20 0 GIADRO CO[C@@H]1CCN(C(=O)c2cccc(CSc3ccc(C)cc3C)c2)[C@H](C[NH3+])C1 ZINC000572475190 823346589 /nfs/dbraw/zinc/34/65/89/823346589.db2.gz ZQCPADAMVQQISA-LEWJYISDSA-N 1 0 398.572 4.174 20 0 GIADRO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000057903232 823346592 /nfs/dbraw/zinc/34/65/92/823346592.db2.gz RFETUBICJBXULC-MRXNPFEDSA-N 1 0 393.350 4.306 20 0 GIADRO COCCC1(C[NH2+]C2CCN(C(=O)c3ccccc3F)CC2)CCCCC1 ZINC000189041085 823346654 /nfs/dbraw/zinc/34/66/54/823346654.db2.gz HHDBLVQLRCEXML-UHFFFAOYSA-N 1 0 376.516 4.007 20 0 GIADRO Cc1nc(C(C)C)sc1[C@@H](C)[NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000189040279 823346735 /nfs/dbraw/zinc/34/67/35/823346735.db2.gz MIFNHWCVORSFRK-CXAGYDPISA-N 1 0 375.513 4.166 20 0 GIADRO CO[C@@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000460304809 823346771 /nfs/dbraw/zinc/34/67/71/823346771.db2.gz MPRLENVIAKQHFE-NRFANRHFSA-N 1 0 386.923 4.056 20 0 GIADRO CC(C)[C@@H](C(=O)N1CCC(OCC[NH+]2CCCC2)CC1)c1cccc(Cl)c1 ZINC000177013167 823349632 /nfs/dbraw/zinc/34/96/32/823349632.db2.gz CGJVBPKDJMGLHU-OAQYLSRUSA-N 1 0 392.971 4.183 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)NC[C@H](c2ccccc2)C(F)(F)F)CC1 ZINC000189046793 823347924 /nfs/dbraw/zinc/34/79/24/823347924.db2.gz QPICRBQQWLDXLJ-LJQANCHMSA-N 1 0 399.501 4.486 20 0 GIADRO O=C(Cc1csc(-c2ccc(Cl)s2)n1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000572486787 823348191 /nfs/dbraw/zinc/34/81/91/823348191.db2.gz KFDOBUAFUWDVDI-JSGCOSHPSA-N 1 0 395.981 4.058 20 0 GIADRO [NH3+]CCC1CCN(C(=O)N[C@@H](c2ccc(Br)cc2)C2CCC2)CC1 ZINC000572489086 823348333 /nfs/dbraw/zinc/34/83/33/823348333.db2.gz BWTSYSNDSQLCJA-GOSISDBHSA-N 1 0 394.357 4.061 20 0 GIADRO CCOc1ccccc1Oc1ccccc1C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000572509637 823351767 /nfs/dbraw/zinc/35/17/67/823351767.db2.gz SELHGKDEPRNWPN-HSZRJFAPSA-N 1 0 380.488 4.045 20 0 GIADRO O=C(Nc1ccc(OC2CCCC2)c(Cl)c1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000572510386 823351952 /nfs/dbraw/zinc/35/19/52/823351952.db2.gz BTTFNOBHWXHBKI-INIZCTEOSA-N 1 0 388.899 4.035 20 0 GIADRO Cc1cc(C[NH2+][C@H]2CCN(CC(F)(F)F)C2)cc(C)c1OCc1ccccn1 ZINC000057975682 823352392 /nfs/dbraw/zinc/35/23/92/823352392.db2.gz PQPKMYYUOVUGJO-SFHVURJKSA-N 1 0 393.453 4.004 20 0 GIADRO CC[C@@H](Cc1ccccc1)N(C)C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000460321623 823352910 /nfs/dbraw/zinc/35/29/10/823352910.db2.gz OZIMBQRFJSVCNP-QHCPKHFHSA-N 1 0 393.575 4.069 20 0 GIADRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)CCC(=O)c1ccc(F)cc1 ZINC000122434587 823353753 /nfs/dbraw/zinc/35/37/53/823353753.db2.gz XULCQXDLUWCURU-QZTJIDSGSA-N 1 0 396.506 4.061 20 0 GIADRO O=C(NCc1cnc(-c2ccc(Cl)cc2)s1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000572525147 823354104 /nfs/dbraw/zinc/35/41/04/823354104.db2.gz GIOWPNOPPVQJGA-COXVUDFISA-N 1 0 375.925 4.000 20 0 GIADRO COCCC1(C[NH2+]CC2(c3ccc4c(c3)OCO4)CCOCC2)CCCCC1 ZINC000189081531 823354251 /nfs/dbraw/zinc/35/42/51/823354251.db2.gz BHTKCTAAWNNBDK-UHFFFAOYSA-N 1 0 389.536 4.040 20 0 GIADRO COCCCOC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000122439175 823354281 /nfs/dbraw/zinc/35/42/81/823354281.db2.gz HSEAKTOKUYEXJX-LJQANCHMSA-N 1 0 396.531 4.198 20 0 GIADRO CC[C@H]([NH2+]Cc1cccc(NC(=O)C2CCC2)c1)c1ccc2c(c1)OCCO2 ZINC000122439733 823354358 /nfs/dbraw/zinc/35/43/58/823354358.db2.gz ZKONWRGYOMPHCX-FQEVSTJZSA-N 1 0 380.488 4.437 20 0 GIADRO COC(=O)c1ccc(C[NH2+]C2(c3ccc(Br)cc3)CC2)cc1F ZINC000177031843 823354604 /nfs/dbraw/zinc/35/46/04/823354604.db2.gz KFEOJPZPICXTFV-UHFFFAOYSA-N 1 0 378.241 4.154 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2ccc3c(c2)CCCCC3=O)CC1 ZINC000572530040 823355080 /nfs/dbraw/zinc/35/50/80/823355080.db2.gz FNXQNVCCDAUEJJ-UHFFFAOYSA-N 1 0 390.527 4.299 20 0 GIADRO COCCC1(C[NH2+]C2CCN(C(=O)c3ccc(Cl)cc3)CC2)CCCC1 ZINC000122413036 823350810 /nfs/dbraw/zinc/35/08/10/823350810.db2.gz MFDBDDSFNVBRFR-UHFFFAOYSA-N 1 0 378.944 4.131 20 0 GIADRO C[C@@H](Cc1cnccn1)[NH2+][C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000572505835 823351129 /nfs/dbraw/zinc/35/11/29/823351129.db2.gz HAZUXWRKEKXTNF-MGPUTAFESA-N 1 0 397.320 4.139 20 0 GIADRO C[C@H](Cc1cnccn1)[NH2+][C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000572505836 823351184 /nfs/dbraw/zinc/35/11/84/823351184.db2.gz HAZUXWRKEKXTNF-QRWLVFNGSA-N 1 0 397.320 4.139 20 0 GIADRO CCC[NH+]1CCC(N(C)c2nnc(Cc3cccc4ccccc43)n2CC)CC1 ZINC000460318052 823351443 /nfs/dbraw/zinc/35/14/43/823351443.db2.gz QMIQBSFPTKRFQT-UHFFFAOYSA-N 1 0 391.563 4.353 20 0 GIADRO CC(C)(C)OC(=O)NCc1cc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)co1 ZINC000189094794 823356764 /nfs/dbraw/zinc/35/67/64/823356764.db2.gz BHHFIIBSSXNDTA-UHFFFAOYSA-N 1 0 399.491 4.152 20 0 GIADRO Fc1ccc(Cn2cc(C[NH2+]C[C@H]3CCCN(Cc4cccs4)C3)cn2)cc1 ZINC000189102828 823357879 /nfs/dbraw/zinc/35/78/79/823357879.db2.gz WLBJBYMXTWELBK-LJQANCHMSA-N 1 0 398.551 4.134 20 0 GIADRO CCOc1ccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1OCC ZINC000021637656 818718526 /nfs/dbraw/zinc/71/85/26/818718526.db2.gz MMOCBADIKDWSDG-UHFFFAOYSA-N 1 0 396.531 4.400 20 0 GIADRO Cc1ccc(C[NH2+]Cc2ccc(C)cc2-c2ccnn2C)c(O[C@H]2CCOC2)c1 ZINC000572544687 823358099 /nfs/dbraw/zinc/35/80/99/823358099.db2.gz NOVYTTJBWWWKII-NRFANRHFSA-N 1 0 391.515 4.161 20 0 GIADRO CC(C)(CNC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)c1cccs1 ZINC000460340086 823358344 /nfs/dbraw/zinc/35/83/44/823358344.db2.gz GQSANJZRMMWYRJ-UXHICEINSA-N 1 0 397.588 4.189 20 0 GIADRO COc1ccc(NC(=O)NCCC[NH+]2CCC(C)CC2)cc1OC1CCCC1 ZINC000058091408 823361303 /nfs/dbraw/zinc/36/13/03/823361303.db2.gz WFGHBBFSJZULCL-UHFFFAOYSA-N 1 0 389.540 4.260 20 0 GIADRO CC[C@@H](C)CN(C)c1ccc(F)cc1C[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000572548692 823359138 /nfs/dbraw/zinc/35/91/38/823359138.db2.gz JFPJSMNDMXISBF-UTKZUKDTSA-N 1 0 378.532 4.078 20 0 GIADRO Cc1ccccc1NC(=O)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000021822122 818740447 /nfs/dbraw/zinc/74/04/47/818740447.db2.gz DUHKLPZMRDZZOX-UHFFFAOYSA-N 1 0 399.538 4.341 20 0 GIADRO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(C#Cc4ccccc4)cc3)cc2)CC1 ZINC000021844325 818746423 /nfs/dbraw/zinc/74/64/23/818746423.db2.gz NSMBRPSVQFUDLY-UHFFFAOYSA-N 1 0 395.506 4.091 20 0 GIADRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)Nc1ccc2oc(C3CC3)nc2c1 ZINC000058073781 823360112 /nfs/dbraw/zinc/36/01/12/823360112.db2.gz DTYSCHDUEAGHJR-UHFFFAOYSA-N 1 0 390.487 4.275 20 0 GIADRO COc1cccc([C@@H](CNC(=O)Nc2ccc3oc(C4CC4)nc3c2)[NH+](C)C)c1 ZINC000058075121 823360155 /nfs/dbraw/zinc/36/01/55/823360155.db2.gz LPHBCKJJZMMRNR-LJQANCHMSA-N 1 0 394.475 4.138 20 0 GIADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N(C)[C@H](C)c1cc(F)ccc1F ZINC000572557430 823360533 /nfs/dbraw/zinc/36/05/33/823360533.db2.gz XALGBWFBGCECLQ-HZPDHXFCSA-N 1 0 375.463 4.188 20 0 GIADRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+][C@@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1 ZINC000460353711 823362177 /nfs/dbraw/zinc/36/21/77/823362177.db2.gz QGMJRTPOCYVQHM-DBXWQHBBSA-N 1 0 382.504 4.161 20 0 GIADRO CC(C)C[NH+]1CCC(C(=O)NCc2ccc(OCc3cccc(F)c3)cc2)CC1 ZINC000058105457 823362301 /nfs/dbraw/zinc/36/23/01/823362301.db2.gz IUDXCLQWSXODPO-UHFFFAOYSA-N 1 0 398.522 4.389 20 0 GIADRO CCc1ccc(CCC(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2C)cc1 ZINC000022067969 818769540 /nfs/dbraw/zinc/76/95/40/818769540.db2.gz ZWXQOPYHYVJCBJ-UHFFFAOYSA-N 1 0 379.548 4.271 20 0 GIADRO CN(C(=O)C[NH+]1CCC([C@@H]2CCCO2)CC1)C(c1ccccc1)c1ccccc1 ZINC000189156512 823366921 /nfs/dbraw/zinc/36/69/21/823366921.db2.gz OONGGQIXRVVLRR-QHCPKHFHSA-N 1 0 392.543 4.125 20 0 GIADRO C[C@H](C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)n1cnc2ccccc21 ZINC000409984465 823362491 /nfs/dbraw/zinc/36/24/91/823362491.db2.gz KVZNRNGNPFVYGJ-LJQANCHMSA-N 1 0 390.531 4.290 20 0 GIADRO Nc1ccc(F)c(NC(=O)CC[NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)c1 ZINC000177066693 823363381 /nfs/dbraw/zinc/36/33/81/823363381.db2.gz ZBBRSWIVUGYVAX-QFIPXVFZSA-N 1 0 381.426 4.255 20 0 GIADRO CN(Cc1ccc(F)cc1)C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000572571171 823363476 /nfs/dbraw/zinc/36/34/76/823363476.db2.gz VUJZZBCXTAQCNJ-NRFANRHFSA-N 1 0 383.511 4.269 20 0 GIADRO Cc1c(Cl)cccc1NC(=O)CNC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000460361670 823363716 /nfs/dbraw/zinc/36/37/16/823363716.db2.gz HQSVQAATTNMJQY-IRXDYDNUSA-N 1 0 399.966 4.333 20 0 GIADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1ccc2ccn(C)c2c1 ZINC000177069904 823364277 /nfs/dbraw/zinc/36/42/77/823364277.db2.gz IMEHZBFODWUJNZ-OAQYLSRUSA-N 1 0 391.519 4.092 20 0 GIADRO COc1ccc(NC(=O)c2nnc(C[NH2+][C@@H]3CCCC[C@H]3C(C)C)s2)cc1 ZINC000460364006 823364337 /nfs/dbraw/zinc/36/43/37/823364337.db2.gz QLSKESWXDLQZFW-DLBZAZTESA-N 1 0 388.537 4.103 20 0 GIADRO CC1(C)CN(C(=O)NCCCCC[NH+]2CCCCC2)CC[C@@H]1C(F)(F)F ZINC000189147398 823364909 /nfs/dbraw/zinc/36/49/09/823364909.db2.gz GSIVCTPWFDNDGI-INIZCTEOSA-N 1 0 377.495 4.263 20 0 GIADRO C[C@H]1C[C@H](NC(=O)C(C)(C)COCc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000409993130 823365242 /nfs/dbraw/zinc/36/52/42/823365242.db2.gz NHRXFHFOKASNPI-NZQKXSOJSA-N 1 0 394.559 4.399 20 0 GIADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2cc(F)ccc2F)CC1 ZINC000022580654 818830239 /nfs/dbraw/zinc/83/02/39/818830239.db2.gz BICTWFFUDNDESS-UHFFFAOYSA-N 1 0 379.838 4.012 20 0 GIADRO CS[C@H]1CN(Cc2coc(-c3cccc(Cl)c3)n2)C[C@H]1[NH+]1CCCC1 ZINC000460353185 823361764 /nfs/dbraw/zinc/36/17/64/823361764.db2.gz FOAAQAPRNSVDLQ-MSOLQXFVSA-N 1 0 377.941 4.007 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(N2CCC(C)=N2)cc1)c1ccccc1 ZINC000058193598 823368187 /nfs/dbraw/zinc/36/81/87/823368187.db2.gz INRAPCCTYHEERW-JOCHJYFZSA-N 1 0 378.520 4.086 20 0 GIADRO CCOc1cccc(/C=N/C[C@@H](c2ccc(OC)cc2)[NH+]2CCCCC2)c1O ZINC000022729174 818851482 /nfs/dbraw/zinc/85/14/82/818851482.db2.gz LZHQEDMXHUMOJM-DOZBRYHWSA-N 1 0 382.504 4.446 20 0 GIADRO C[NH+](C)CCCOC1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000177107018 823373069 /nfs/dbraw/zinc/37/30/69/823373069.db2.gz LFOGPIMKOOUODV-DLBZAZTESA-N 1 0 399.362 4.056 20 0 GIADRO CC(C)c1ccc(/C=C/CC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000122533661 823368604 /nfs/dbraw/zinc/36/86/04/823368604.db2.gz VKAKDAALMNLMKY-RLUOVGSASA-N 1 0 384.564 4.097 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1cccc(OC[C@H]2CCCO2)c1)c1ccccc1 ZINC000022753018 818855801 /nfs/dbraw/zinc/85/58/01/818855801.db2.gz SCEIROFJOUWAJO-PKTZIBPZSA-N 1 0 396.531 4.057 20 0 GIADRO COc1ccc(C[NH2+]Cc2ccc(OCc3c(C)noc3C)c(OC)c2)cc1 ZINC000022771089 818858793 /nfs/dbraw/zinc/85/87/93/818858793.db2.gz STHMFFJRQIAKFO-UHFFFAOYSA-N 1 0 382.460 4.177 20 0 GIADRO CCCC[NH2+]Cc1ccc(OCC(=O)Nc2ccc(F)c(Cl)c2)c(OC)c1 ZINC000022770567 818859017 /nfs/dbraw/zinc/85/90/17/818859017.db2.gz MAJSCBJQCVTIRK-UHFFFAOYSA-N 1 0 394.874 4.395 20 0 GIADRO COc1ccc([C@@H](C[NH2+]Cc2cccc3ccccc32)N2CCOCC2)cc1 ZINC000022801871 818862365 /nfs/dbraw/zinc/86/23/65/818862365.db2.gz WANWURNIQKBHRE-XMMPIXPASA-N 1 0 376.500 4.012 20 0 GIADRO Cc1cc(C)c(NC(=O)[C@H](C)N2CCC[N@H+](Cc3ccccc3)CC2)c(C)c1 ZINC000022807914 818862850 /nfs/dbraw/zinc/86/28/50/818862850.db2.gz JNLBFFZWGKGOTB-NRFANRHFSA-N 1 0 379.548 4.147 20 0 GIADRO CC(C)(C)c1nn(-c2ccccc2)cc1C[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000177110189 823373677 /nfs/dbraw/zinc/37/36/77/823373677.db2.gz RHDSFIOJGCSGRU-UHFFFAOYSA-N 1 0 394.485 4.286 20 0 GIADRO Oc1cccc(C[N@@H+](Cc2ccc(-c3ccccn3)nc2)[C@H]2CC[C@H](O)CC2)c1 ZINC000572613708 823369410 /nfs/dbraw/zinc/36/94/10/823369410.db2.gz LBEUSFNHNFNQDY-MEMLXQNLSA-N 1 0 389.499 4.155 20 0 GIADRO Cc1ccc(-n2ncc(C(=O)N[C@@H]3C[C@H](C)[N@@H+](C4CC4)C3)c2C2CC2)cc1Cl ZINC000177094194 823369876 /nfs/dbraw/zinc/36/98/76/823369876.db2.gz UFALWKPOECLBJF-GOEBONIOSA-N 1 0 398.938 4.067 20 0 GIADRO O=C(NC[C@@H]1CCC[NH2+]C1)N[C@H](c1ccccc1Cl)c1cc(F)ccc1F ZINC000572618511 823370117 /nfs/dbraw/zinc/37/01/17/823370117.db2.gz NUQWCEWOFYUEHO-BFUOFWGJSA-N 1 0 393.865 4.006 20 0 GIADRO CCOCCC1(C[NH2+][C@@H](C)c2ccc(NS(=O)(=O)CC)cc2)CCCC1 ZINC000122549993 823371008 /nfs/dbraw/zinc/37/10/08/823371008.db2.gz XIAIJKQEJMTPNA-KRWDZBQOSA-N 1 0 382.570 4.086 20 0 GIADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)Cc1ccc(C)c(Br)c1)c1ccco1 ZINC000572625041 823371114 /nfs/dbraw/zinc/37/11/14/823371114.db2.gz LBGWCJXWXHONTK-YOEHRIQHSA-N 1 0 393.325 4.139 20 0 GIADRO COc1ccccc1[C@@H](C)CC(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000122551775 823371329 /nfs/dbraw/zinc/37/13/29/823371329.db2.gz YYOIIKQWNODYIZ-IBGZPJMESA-N 1 0 395.547 4.358 20 0 GIADRO C[NH+](C)CCCNC(=S)Nc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000023102511 818897964 /nfs/dbraw/zinc/89/79/64/818897964.db2.gz ROSGVDHOVPSBGS-UHFFFAOYSA-N 1 0 384.574 4.125 20 0 GIADRO O=C(/C=C/c1ccc2ccc(Cl)cc2n1)N1CCC([NH+]2CCCCC2)CC1 ZINC000058263686 823372778 /nfs/dbraw/zinc/37/27/78/823372778.db2.gz BXZYJGDMYWGSND-CMDGGOBGSA-N 1 0 383.923 4.378 20 0 GIADRO Fc1ccccc1-n1ccc(C[NH+]2CCC(c3c[nH]c4ncccc34)CC2)n1 ZINC000189190688 823373013 /nfs/dbraw/zinc/37/30/13/823373013.db2.gz OTXXXXWQMXPVLK-UHFFFAOYSA-N 1 0 375.451 4.267 20 0 GIADRO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000023391167 818933090 /nfs/dbraw/zinc/93/30/90/818933090.db2.gz GAXTXJRTUDCISW-INIZCTEOSA-N 1 0 387.474 4.463 20 0 GIADRO C[N@@H+]1CCCN([C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)CC1 ZINC000023469395 818944364 /nfs/dbraw/zinc/94/43/64/818944364.db2.gz NCUVWQYXARPRSL-LJQANCHMSA-N 1 0 392.330 4.311 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)CCc1cccnc1)c1ccc(C(F)(F)F)cc1 ZINC000122576380 823375579 /nfs/dbraw/zinc/37/55/79/823375579.db2.gz BXSUHOOZCRYVDR-LJQANCHMSA-N 1 0 393.453 4.232 20 0 GIADRO Cc1ccc(C(=O)c2ccccc2C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000058296223 823375798 /nfs/dbraw/zinc/37/57/98/823375798.db2.gz MLWBPNUPWIXBQN-HXUWFJFHSA-N 1 0 392.543 4.468 20 0 GIADRO Cc1ccc(Sc2ncccc2C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c(C)c1 ZINC000058299153 823376060 /nfs/dbraw/zinc/37/60/60/823376060.db2.gz KZOXTRFWLMBPPY-RTBURBONSA-N 1 0 381.545 4.206 20 0 GIADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(COc2ccc3ccccc3c2)o1 ZINC000058298856 823376092 /nfs/dbraw/zinc/37/60/92/823376092.db2.gz NEGLIRYCKLDVFL-VXKWHMMOSA-N 1 0 390.483 4.368 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)CCc1cc2ccccc2o1)[NH+]1CCCC1 ZINC000023538526 818957230 /nfs/dbraw/zinc/95/72/30/818957230.db2.gz NPQWPKIXNFQXMJ-NRFANRHFSA-N 1 0 392.499 4.327 20 0 GIADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc2sc(Nc3ccccc3)nc2s1 ZINC000058299190 823376131 /nfs/dbraw/zinc/37/61/31/823376131.db2.gz IQEOVMUPRNUUQB-GJZGRUSLSA-N 1 0 398.557 4.458 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccccc1NCc1cccnc1)c1ccco1 ZINC000177121277 823376111 /nfs/dbraw/zinc/37/61/11/823376111.db2.gz DEKFGKWCMAPWGC-NRFANRHFSA-N 1 0 392.503 4.100 20 0 GIADRO COCCCOc1cccc(NC(=O)NCc2ccccc2C[NH+]2CCCC2)c1 ZINC000177129701 823378626 /nfs/dbraw/zinc/37/86/26/823378626.db2.gz PDGZQUNDOYNFJL-UHFFFAOYSA-N 1 0 397.519 4.019 20 0 GIADRO C[C@H](c1ccccc1)[C@H](C)NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000460399392 823376718 /nfs/dbraw/zinc/37/67/18/823376718.db2.gz IUPKTVAOSATAHF-TZYAJKAJSA-N 1 0 391.559 4.342 20 0 GIADRO COCCC1(C[NH2+]Cc2ccc(N(C)C(=O)c3ccncc3)cc2)CCCCC1 ZINC000189221864 823378016 /nfs/dbraw/zinc/37/80/16/823378016.db2.gz SYNVFOIQYJZVKU-UHFFFAOYSA-N 1 0 395.547 4.435 20 0 GIADRO COc1ccccc1CCC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000023957019 818997486 /nfs/dbraw/zinc/99/74/86/818997486.db2.gz XYZSMZDFWBZTIE-UHFFFAOYSA-N 1 0 388.511 4.125 20 0 GIADRO O=C(CCc1ccc(F)cc1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000023957217 818998063 /nfs/dbraw/zinc/99/80/63/818998063.db2.gz QWCZUGOBUDERHB-UHFFFAOYSA-N 1 0 376.475 4.256 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1c(F)cccc1F)c1ccc(OCC2CC2)c(F)c1 ZINC000572670681 823379024 /nfs/dbraw/zinc/37/90/24/823379024.db2.gz YREGKCMEZHXPRB-GFCCVEGCSA-N 1 0 378.394 4.182 20 0 GIADRO CCCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1 ZINC000023991777 819003533 /nfs/dbraw/zinc/00/35/33/819003533.db2.gz VELBDULUTJGKFO-MRXNPFEDSA-N 1 0 383.492 4.006 20 0 GIADRO CCCN(CCC[NH+](C)C)C(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1 ZINC000189267004 823383787 /nfs/dbraw/zinc/38/37/87/823383787.db2.gz ANTKQZCEDGRPKY-UHFFFAOYSA-N 1 0 381.520 4.051 20 0 GIADRO CN1CC[C@@H]([NH2+]Cc2ncc(Br)s2)[C@@H]1c1ccc(Cl)cc1 ZINC000572676714 823380535 /nfs/dbraw/zinc/38/05/35/823380535.db2.gz HYZYGEWFZAXWNA-DOMZBBRYSA-N 1 0 386.746 4.094 20 0 GIADRO Clc1sc(C[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)cc1Br ZINC000191365372 823676950 /nfs/dbraw/zinc/67/69/50/823676950.db2.gz VMXGFVCCFJMRPW-RNCFNFMXSA-N 1 0 382.776 4.308 20 0 GIADRO CCOc1ccccc1CCC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000024182335 819030496 /nfs/dbraw/zinc/03/04/96/819030496.db2.gz DSAABVHZFZMVJA-UHFFFAOYSA-N 1 0 380.532 4.320 20 0 GIADRO C[N@H+](CCO)Cc1cc(NCc2nc3ccc(F)cc3s2)ccc1Cl ZINC000572677683 823380939 /nfs/dbraw/zinc/38/09/39/823380939.db2.gz UQDHEPOUAWPYFL-UHFFFAOYSA-N 1 0 379.888 4.125 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)c2nnc(C3CCC3)n2CCc2ccccc2)C[C@@H]1C ZINC000460414462 823381335 /nfs/dbraw/zinc/38/13/35/823381335.db2.gz AWVCZWHTILKARG-RXVVDRJESA-N 1 0 381.568 4.097 20 0 GIADRO CC1CC[NH+](Cc2ccc(NC(=O)[C@H]3CC(c4cccc(F)c4)=NO3)cc2)CC1 ZINC000058353976 823382088 /nfs/dbraw/zinc/38/20/88/823382088.db2.gz FPMFWEIFNOLFIE-JOCHJYFZSA-N 1 0 395.478 4.189 20 0 GIADRO Cc1cc(C[N@@H+]2CC[C@@H](OCc3ccncc3)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000572683554 823382360 /nfs/dbraw/zinc/38/23/60/823382360.db2.gz JHICDGKPWDGOBR-OAQYLSRUSA-N 1 0 394.906 4.292 20 0 GIADRO Cc1nc(-c2ccncc2)nc(N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1C ZINC000572689786 823383472 /nfs/dbraw/zinc/38/34/72/823383472.db2.gz MCKYEUXHPIHJOR-XZOQPEGZSA-N 1 0 399.542 4.114 20 0 GIADRO CCCn1ncc(NC(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)c1C1CC1 ZINC000572696702 823385085 /nfs/dbraw/zinc/38/50/85/823385085.db2.gz AVRLJIUPMIRMSK-ZWKOTPCHSA-N 1 0 395.551 4.297 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)Nc2ccccc2NC(=O)N2CCCC2)cc1 ZINC000058387025 823385239 /nfs/dbraw/zinc/38/52/39/823385239.db2.gz KDFGYYZPHHNDMJ-UHFFFAOYSA-N 1 0 394.519 4.408 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)CCSc2ccc(F)cc2)CC1 ZINC000058399743 823386264 /nfs/dbraw/zinc/38/62/64/823386264.db2.gz BDIZPUOSPWCMKP-UHFFFAOYSA-N 1 0 386.536 4.397 20 0 GIADRO Cc1ccc2cc(C[NH2+]CC3(c4ccc5c(c4)OCO5)CCOCC3)ccc2n1 ZINC000189282239 823386266 /nfs/dbraw/zinc/38/62/66/823386266.db2.gz GCCPSCASUBEGAZ-UHFFFAOYSA-N 1 0 390.483 4.110 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)NCC2CCC(F)(F)CC2)[C@@H]1c1cccs1 ZINC000410089105 823387523 /nfs/dbraw/zinc/38/75/23/823387523.db2.gz RJCRQLXYZPTEDF-DOTOQJQBSA-N 1 0 385.524 4.256 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)NCC2CCC(F)(F)CC2)[C@H]1c1cccs1 ZINC000410089109 823387645 /nfs/dbraw/zinc/38/76/45/823387645.db2.gz RJCRQLXYZPTEDF-RDJZCZTQSA-N 1 0 385.524 4.256 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCSCC2)c1)c1cc(O)ccc1C(F)(F)F ZINC000189288475 823387673 /nfs/dbraw/zinc/38/76/73/823387673.db2.gz PUYULJORECLYHQ-UHFFFAOYSA-N 1 0 396.434 4.212 20 0 GIADRO CC(C)c1ccccc1OC[C@@H](O)C[NH2+]Cc1cccc(NC(=O)C2CCC2)c1 ZINC000572714001 823387737 /nfs/dbraw/zinc/38/77/37/823387737.db2.gz RSYPGUDWCVAASF-NRFANRHFSA-N 1 0 396.531 4.078 20 0 GIADRO N#CCOc1ccc(NC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000058416912 823387929 /nfs/dbraw/zinc/38/79/29/823387929.db2.gz PNPDFKQOCFSKOH-UHFFFAOYSA-N 1 0 392.503 4.287 20 0 GIADRO O[C@@H](C[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1)c1cc2ccccc2s1 ZINC000189290067 823387967 /nfs/dbraw/zinc/38/79/67/823387967.db2.gz LLJBLHJWKDWGOW-IBGZPJMESA-N 1 0 381.476 4.108 20 0 GIADRO CC[C@H](C)Oc1ccc(NC(=O)C(=O)Nc2cccc(C[NH+](CC)CC)c2)cc1 ZINC000189293311 823388752 /nfs/dbraw/zinc/38/87/52/823388752.db2.gz NAFKNVNFUCSTAG-KRWDZBQOSA-N 1 0 397.519 4.283 20 0 GIADRO COc1ccccc1-c1nnc(SC[C@@H](C)[NH+](C)C)n1-c1ccc(C)cc1 ZINC000460447427 823392228 /nfs/dbraw/zinc/39/22/28/823392228.db2.gz LFGNVPMFXCKVAH-MRXNPFEDSA-N 1 0 382.533 4.294 20 0 GIADRO Cc1ccccc1OCc1nnc(SC[C@H](C)[NH+](C)C)n1-c1ccccc1 ZINC000460448115 823392830 /nfs/dbraw/zinc/39/28/30/823392830.db2.gz GTFCLFHHUTXSPN-KRWDZBQOSA-N 1 0 382.533 4.197 20 0 GIADRO CCOCc1ccccc1C[NH2+][C@@H](C)c1ccc(OC)c(Cn2cccn2)c1 ZINC000122666020 823390569 /nfs/dbraw/zinc/39/05/69/823390569.db2.gz LGAOZBHWSHKPRA-SFHVURJKSA-N 1 0 379.504 4.327 20 0 GIADRO CCN1CCC([NH+]2CCC(C(=O)N[C@H](c3ccccc3)C(C)(C)C)CC2)CC1 ZINC000572734023 823390650 /nfs/dbraw/zinc/39/06/50/823390650.db2.gz TVJCGLTZBBFVHY-JOCHJYFZSA-N 1 0 385.596 4.086 20 0 GIADRO COc1ccc(OC)c(C[NH2+][C@@H](C)[C@@H](OC2CCOCC2)c2ccccc2)c1 ZINC000122682560 823393706 /nfs/dbraw/zinc/39/37/06/823393706.db2.gz DFHPDAFIVTXLNS-GAJHUEQPSA-N 1 0 385.504 4.119 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCC2CCC(F)(F)CC2)CC1 ZINC000410106752 823393698 /nfs/dbraw/zinc/39/36/98/823393698.db2.gz QOYCQMQQONPMPY-MRXNPFEDSA-N 1 0 379.495 4.337 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC1CCC(F)(F)CC1 ZINC000410111491 823394831 /nfs/dbraw/zinc/39/48/31/823394831.db2.gz ZMILKGBZKXILEL-HXUWFJFHSA-N 1 0 393.522 4.366 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)NCC1CCC(F)(F)CC1 ZINC000410112404 823394901 /nfs/dbraw/zinc/39/49/01/823394901.db2.gz CRYNDGKOSHXFAR-UHFFFAOYSA-N 1 0 397.510 4.032 20 0 GIADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)CCc2ccccc2OC(F)(F)F)C1 ZINC000410116753 823395735 /nfs/dbraw/zinc/39/57/35/823395735.db2.gz COTRSRFHBFQVKZ-JFIYKMOQSA-N 1 0 398.469 4.382 20 0 GIADRO C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CCc1ccc(Cl)nc1 ZINC000122695060 823396015 /nfs/dbraw/zinc/39/60/15/823396015.db2.gz AAXZVOFQADKWRO-LBPRGKRZSA-N 1 0 385.817 4.303 20 0 GIADRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1ccnc(Cl)c1 ZINC000122697390 823396292 /nfs/dbraw/zinc/39/62/92/823396292.db2.gz WHVGJOBXOPKKCS-LRDDRELGSA-N 1 0 395.837 4.183 20 0 GIADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)Nc1ncc(C(F)(F)F)s1 ZINC000572776048 823397148 /nfs/dbraw/zinc/39/71/48/823397148.db2.gz XJQYIANYZTXYAE-SNVBAGLBSA-N 1 0 390.456 4.182 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)CC[N@@H+]1C ZINC000122702051 823397195 /nfs/dbraw/zinc/39/71/95/823397195.db2.gz IRVINXUKAAZZKQ-DOMZBBRYSA-N 1 0 397.466 4.384 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)CS(=O)(=O)c1ccccc1)c1ccc(OCC2CC2)c(F)c1 ZINC000122702815 823397308 /nfs/dbraw/zinc/39/73/08/823397308.db2.gz NUWODQMLIFYHJP-JKSUJKDBSA-N 1 0 391.508 4.128 20 0 GIADRO CCS[C@@H]1CC[C@@H](N(C)C(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000177198563 823397469 /nfs/dbraw/zinc/39/74/69/823397469.db2.gz JVCVDDGEPQYXMP-NHCUHLMSSA-N 1 0 389.609 4.009 20 0 GIADRO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)Cc1cccc(Cl)c1 ZINC000189348536 823398845 /nfs/dbraw/zinc/39/88/45/823398845.db2.gz DGLFFANMVNQTAV-HNNXBMFYSA-N 1 0 378.925 4.073 20 0 GIADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH+]1CCC2(CCO2)CC1 ZINC000572782716 823397856 /nfs/dbraw/zinc/39/78/56/823397856.db2.gz MLCYAVGNDTYQGJ-UHFFFAOYSA-N 1 0 390.325 4.007 20 0 GIADRO CCCCc1nnc(N2CCC[C@@H]([NH+]3CCCC3)CC2)n1CCc1ccccc1 ZINC000460463423 823398264 /nfs/dbraw/zinc/39/82/64/823398264.db2.gz ZLYMPGTYWIJARQ-JOCHJYFZSA-N 1 0 395.595 4.318 20 0 GIADRO O=C(CCC[NH2+]Cc1ccc(-c2ccncc2)cc1F)N1Cc2ccccc2C1 ZINC000122713021 823399148 /nfs/dbraw/zinc/39/91/48/823399148.db2.gz DJPISQOAERNVQX-UHFFFAOYSA-N 1 0 389.474 4.300 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)c2cccc3c4c([nH]c32)CCCC4)cc1 ZINC000058491991 823399200 /nfs/dbraw/zinc/39/92/00/823399200.db2.gz GAQNPXDRIVOCJF-UHFFFAOYSA-N 1 0 377.488 4.239 20 0 GIADRO Cc1cc(F)ccc1-c1ccc(CNCc2ccncc2OCC[NH+](C)C)o1 ZINC000572796520 823400167 /nfs/dbraw/zinc/40/01/67/823400167.db2.gz NNSWFCFFJMGNTK-UHFFFAOYSA-N 1 0 383.467 4.019 20 0 GIADRO CCN(CC)[C@@H](C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)c1ccsc1 ZINC000177212276 823400550 /nfs/dbraw/zinc/40/05/50/823400550.db2.gz AKBDCGVGRPNRTN-SFHVURJKSA-N 1 0 381.586 4.120 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)c2cccc(-n3nccc3-c3ccccc3)c2)CC[N@@H+]1C ZINC000122725669 823400799 /nfs/dbraw/zinc/40/07/99/823400799.db2.gz CXMZCNJPIOQKPY-WIYYLYMNSA-N 1 0 388.515 4.094 20 0 GIADRO CCOC(=O)N1CCC([C@@H](C)[NH2+]Cc2cnc(-c3cccs3)s2)CC1 ZINC000189373036 823402872 /nfs/dbraw/zinc/40/28/72/823402872.db2.gz DJZMBFGTJRALRJ-CYBMUJFWSA-N 1 0 379.551 4.218 20 0 GIADRO CCN(Cc1ccccc1)c1ccc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000122742219 823404108 /nfs/dbraw/zinc/40/41/08/823404108.db2.gz FGMYHDBAJVCYOB-XXBNENTESA-N 1 0 379.548 4.268 20 0 GIADRO Cc1c(C(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)oc2c1c(C)ccc2C ZINC000460483382 823404123 /nfs/dbraw/zinc/40/41/23/823404123.db2.gz PDFWDAYMCYPCKK-UHFFFAOYSA-N 1 0 397.563 4.038 20 0 GIADRO CCOC(=O)N1CCC([C@@H](C)[NH2+]Cc2ccc(-c3ccncc3)cc2F)CC1 ZINC000189381343 823404988 /nfs/dbraw/zinc/40/49/88/823404988.db2.gz WQPWFKKXBMSZII-MRXNPFEDSA-N 1 0 385.483 4.234 20 0 GIADRO Cc1c2ccccc2oc1[C@@H](C)[NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177229407 823405214 /nfs/dbraw/zinc/40/52/14/823405214.db2.gz MWMOLBKTOZJUMU-HZPDHXFCSA-N 1 0 386.517 4.403 20 0 GIADRO COc1cccc(C[NH2+][C@H](C)[C@@H](OC2CCOCC2)c2ccccc2)c1OC ZINC000122752208 823405704 /nfs/dbraw/zinc/40/57/04/823405704.db2.gz BVJZYXAYPVITAG-VGOFRKELSA-N 1 0 385.504 4.119 20 0 GIADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)Nc2cc3c(cc2Cl)OCCCO3)C1 ZINC000058536583 823405843 /nfs/dbraw/zinc/40/58/43/823405843.db2.gz NQWBPRHSOUZVOR-OAHLLOKOSA-N 1 0 395.931 4.135 20 0 GIADRO Cc1cc(C)cc(C[C@H](C)NC(=O)c2ccc(C[NH+]3CCSCC3)cc2)c1 ZINC000460495331 823407783 /nfs/dbraw/zinc/40/77/83/823407783.db2.gz WQLFCFNKZWXEGO-IBGZPJMESA-N 1 0 382.573 4.213 20 0 GIADRO O=C(CCc1cccc(Br)c1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177240543 823407950 /nfs/dbraw/zinc/40/79/50/823407950.db2.gz PWZNTYZYXVCMOY-UHFFFAOYSA-N 1 0 393.369 4.295 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000177241729 823407984 /nfs/dbraw/zinc/40/79/84/823407984.db2.gz BENGUQGNHZZNDO-QWHCGFSZSA-N 1 0 397.338 4.232 20 0 GIADRO Cc1ccsc1[C@H](Cc1ccccc1)[NH2+][C@H](C)C(=O)Nc1c(C)nn(C)c1C ZINC000122762441 823408002 /nfs/dbraw/zinc/40/80/02/823408002.db2.gz VYTUDNBYAPULTA-APWZRJJASA-N 1 0 396.560 4.307 20 0 GIADRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCSc3cc(Cl)ccc3Cl)[C@@H]2C1 ZINC000572864033 823411256 /nfs/dbraw/zinc/41/12/56/823411256.db2.gz PZIVJWPMWLWOOD-LXZKKBNFSA-N 1 0 387.376 4.322 20 0 GIADRO O=C(CCc1ncc(-c2ccccc2F)o1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177256522 823411472 /nfs/dbraw/zinc/41/14/72/823411472.db2.gz PHYIWKIZWAZCPX-UHFFFAOYSA-N 1 0 399.510 4.327 20 0 GIADRO O=C(Nc1nc(-c2cccs2)cs1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000572865961 823411551 /nfs/dbraw/zinc/41/15/51/823411551.db2.gz LFOXRNCZDDGFQA-ZDUSSCGKSA-N 1 0 379.576 4.028 20 0 GIADRO COCC(C)(C)CCCNC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000572866788 823411587 /nfs/dbraw/zinc/41/15/87/823411587.db2.gz REPYDKFWYDSZFN-IBGZPJMESA-N 1 0 389.584 4.171 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)NC[C@H](C)Oc2cccc(OC)c2)cc1)C(C)C ZINC000460507665 823411778 /nfs/dbraw/zinc/41/17/78/823411778.db2.gz BXEFARWJQARWEN-SFHVURJKSA-N 1 0 384.520 4.123 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1nc2ccccc2cc1Br)c1ccccc1 ZINC000572875243 823412556 /nfs/dbraw/zinc/41/25/56/823412556.db2.gz XTMSWFZWMWRNPR-GOSISDBHSA-N 1 0 398.304 4.030 20 0 GIADRO Cc1ccc(-c2cnc(CCC(=O)NC3CC[NH+](C4CCCCC4)CC3)o2)cc1 ZINC000177249317 823409363 /nfs/dbraw/zinc/40/93/63/823409363.db2.gz USCQBAFESJSYEV-UHFFFAOYSA-N 1 0 395.547 4.496 20 0 GIADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1cc(F)ccc1Br ZINC000177253015 823409895 /nfs/dbraw/zinc/40/98/95/823409895.db2.gz UIDKKDQIWLMSAL-UHFFFAOYSA-N 1 0 383.305 4.115 20 0 GIADRO Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]Cc1cc(=O)n2cccc(C)c2n1 ZINC000122775563 823410246 /nfs/dbraw/zinc/41/02/46/823410246.db2.gz FFGOBSRHOUAVTE-HXUWFJFHSA-N 1 0 389.524 4.446 20 0 GIADRO Cc1ccc(CNC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)s1 ZINC000410186979 823414219 /nfs/dbraw/zinc/41/42/19/823414219.db2.gz BIWZHKZFGPEJOA-UHFFFAOYSA-N 1 0 379.529 4.237 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)Nc2ccccc2CCOC)CC1 ZINC000189447508 823419057 /nfs/dbraw/zinc/41/90/57/823419057.db2.gz HIEIEDYHBKUJIL-UHFFFAOYSA-N 1 0 375.557 4.241 20 0 GIADRO CSC1(CNC(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)CC[NH+](C)CC1 ZINC000572887789 823414405 /nfs/dbraw/zinc/41/44/05/823414405.db2.gz VIGDANKZMXQBTN-JKSUJKDBSA-N 1 0 387.376 4.041 20 0 GIADRO CCCN(CC[NH+](C)C)C(=O)c1sc(-c2ccco2)nc1-c1ccccc1 ZINC000572891789 823414836 /nfs/dbraw/zinc/41/48/36/823414836.db2.gz SPODZLFHTCREDR-UHFFFAOYSA-N 1 0 383.517 4.484 20 0 GIADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000177267392 823415074 /nfs/dbraw/zinc/41/50/74/823415074.db2.gz QGQJWRRLGNBHMF-UHFFFAOYSA-N 1 0 394.519 4.141 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@@H](c2ccccc2)C2CCC2)cc1 ZINC000189435018 823415367 /nfs/dbraw/zinc/41/53/67/823415367.db2.gz OGOKFQDOBZWWSB-QFIPXVFZSA-N 1 0 393.531 4.125 20 0 GIADRO CC(=O)N1CC[C@H]([NH2+]Cc2ccc3nc(C)ccc3c2)c2ccc(F)cc2C1 ZINC000189435279 823415454 /nfs/dbraw/zinc/41/54/54/823415454.db2.gz JSAWMBISARNSPY-QHCPKHFHSA-N 1 0 377.463 4.265 20 0 GIADRO COc1ccc2ccccc2c1CNC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000410195747 823416305 /nfs/dbraw/zinc/41/63/05/823416305.db2.gz MFRPBQGFJYWPBG-SFHVURJKSA-N 1 0 383.536 4.160 20 0 GIADRO C[C@@H]([NH2+]CC(C)(C)c1ccc2c(c1)OCO2)c1ccc(N2CCOC2=O)cc1 ZINC000122811526 823416463 /nfs/dbraw/zinc/41/64/63/823416463.db2.gz HBHLFFVZOXKMLG-OAHLLOKOSA-N 1 0 382.460 4.000 20 0 GIADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)c2ccc3ccccc3c2)[C@H](C)C1 ZINC000177270576 823416482 /nfs/dbraw/zinc/41/64/82/823416482.db2.gz QZAFFSONMLGEJT-MSYCTHLASA-N 1 0 382.548 4.197 20 0 GIADRO FC(F)(F)C1CCC([NH2+]C[C@H](c2ccccc2Cl)N2CCOCC2)CC1 ZINC000122827166 823419261 /nfs/dbraw/zinc/41/92/61/823419261.db2.gz HMZWMBXGWTXQPU-JTTJXQCZSA-N 1 0 390.877 4.424 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NCc2ccc(F)cc2C(F)(F)F)C1 ZINC000410200680 823417800 /nfs/dbraw/zinc/41/78/00/823417800.db2.gz VBBKYHHGOMMMER-OKILXGFUSA-N 1 0 389.437 4.012 20 0 GIADRO C[C@@H]([NH2+]C1(CNc2ncccc2Br)CCOCC1)c1ccccc1 ZINC000572907915 823417849 /nfs/dbraw/zinc/41/78/49/823417849.db2.gz IEBPEJOCDKXGNY-OAHLLOKOSA-N 1 0 390.325 4.156 20 0 GIADRO COc1cccc([C@H](C)[NH2+][C@@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)c1 ZINC000177278969 823419435 /nfs/dbraw/zinc/41/94/35/823419435.db2.gz HDFNWYXMVJFPHB-ROUUACIJSA-N 1 0 381.520 4.363 20 0 GIADRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)Nc1ccc2c(c1)C(=O)CCC2 ZINC000177289447 823422361 /nfs/dbraw/zinc/42/23/61/823422361.db2.gz ABMAGQCCIPTAIR-INIZCTEOSA-N 1 0 397.544 4.301 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1=O)c1cccc(Br)c1 ZINC000410218626 823423055 /nfs/dbraw/zinc/42/30/55/823423055.db2.gz VGZVSUINRZSHGI-BLLLJJGKSA-N 1 0 377.257 4.044 20 0 GIADRO CCSc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000177291332 823423135 /nfs/dbraw/zinc/42/31/35/823423135.db2.gz YRBXYRLDMVNSQL-JKSUJKDBSA-N 1 0 392.590 4.461 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)C(C)(C)c1ccccc1OC)c1cccc(OC)c1 ZINC000058644831 823423241 /nfs/dbraw/zinc/42/32/41/823423241.db2.gz PKNUSLJFGCTVAT-OAQYLSRUSA-N 1 0 398.547 4.181 20 0 GIADRO Clc1cnn([C@@H]2CC[N@H+](Cc3cn(C4CCCC4)nc3-c3ccccn3)C2)c1 ZINC000572938110 823423860 /nfs/dbraw/zinc/42/38/60/823423860.db2.gz VJOGJXHZVHSWHG-LJQANCHMSA-N 1 0 396.926 4.357 20 0 GIADRO Cc1noc(C[C@@H]([NH2+][C@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)c2ccccc2)n1 ZINC000572938184 823423921 /nfs/dbraw/zinc/42/39/21/823423921.db2.gz UBJYABALGKQEDD-JLTOFOAXSA-N 1 0 390.487 4.242 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCCc2ccccc21)c1cccc(OC)c1 ZINC000058648096 823424258 /nfs/dbraw/zinc/42/42/58/823424258.db2.gz DTRUAYIBWWCTOL-GOTSBHOMSA-N 1 0 380.532 4.314 20 0 GIADRO FC(F)(F)CN1CCC(C[NH2+]Cc2csc(-c3ccsc3)n2)CC1 ZINC000189471734 823424386 /nfs/dbraw/zinc/42/43/86/823424386.db2.gz ABSJYBHQOFSHPC-UHFFFAOYSA-N 1 0 375.485 4.236 20 0 GIADRO COCCCOc1ccc(C[NH2+][C@@H](C)c2ccc(-n3ccnc3C)cc2)cc1 ZINC000572946800 823425318 /nfs/dbraw/zinc/42/53/18/823425318.db2.gz CIXJXXZDUHUEFJ-SFHVURJKSA-N 1 0 379.504 4.447 20 0 GIADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000122870955 823426787 /nfs/dbraw/zinc/42/67/87/823426787.db2.gz HDVFEWRHYCDAJE-UHFFFAOYSA-N 1 0 397.302 4.088 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N(Cc2ccco2)C2CCCC2)cc1 ZINC000189484314 823427435 /nfs/dbraw/zinc/42/74/35/823427435.db2.gz SLUSYSPZEIZNCX-UHFFFAOYSA-N 1 0 397.519 4.031 20 0 GIADRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(C)(C)Cc3ccc(C(F)(F)F)cc3)CC[C@H]21 ZINC000189487237 823428108 /nfs/dbraw/zinc/42/81/08/823428108.db2.gz ONZUCUFTMYCKKF-FUHWJXTLSA-N 1 0 382.470 4.217 20 0 GIADRO COCCc1ccccc1NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000189486976 823428127 /nfs/dbraw/zinc/42/81/27/823428127.db2.gz FVYSXZUEEQSYEH-UGKGYDQZSA-N 1 0 395.547 4.392 20 0 GIADRO CCc1nc(C(=O)Nc2cc(C[NH+](C)C)ccc2C)nn1-c1ccccc1Cl ZINC000177313221 823429884 /nfs/dbraw/zinc/42/98/84/823429884.db2.gz AWTJPRMRBCQXBY-UHFFFAOYSA-N 1 0 397.910 4.105 20 0 GIADRO c1cc(-c2nc3ccccc3s2)oc1C[N@@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000572985899 823430320 /nfs/dbraw/zinc/43/03/20/823430320.db2.gz UYTJBJNAUKFQFF-QGZVFWFLSA-N 1 0 397.544 4.243 20 0 GIADRO CCc1nc(C)c(C[NH2+]CCC(=O)Nc2ccc(Oc3ccccc3)cc2)o1 ZINC000572993147 823431167 /nfs/dbraw/zinc/43/11/67/823431167.db2.gz PQNZXAFTPLXPCA-UHFFFAOYSA-N 1 0 379.460 4.456 20 0 GIADRO CCN(CCC[NH+]1CCCC1)C(=O)Nc1c(C)cc(Br)cc1C ZINC000189497927 823431445 /nfs/dbraw/zinc/43/14/45/823431445.db2.gz UJCOLAHCUZRPRB-UHFFFAOYSA-N 1 0 382.346 4.406 20 0 GIADRO CCS[C@@H]1CCCC[C@@H]1[NH2+]Cc1nnc(-c2ccc(Br)o2)o1 ZINC000189505710 823433039 /nfs/dbraw/zinc/43/30/39/823433039.db2.gz IBDNWABEEMACJA-CMPLNLGQSA-N 1 0 386.315 4.246 20 0 GIADRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)Nc1cccc(OCCF)c1 ZINC000122913629 823433309 /nfs/dbraw/zinc/43/33/09/823433309.db2.gz JPBIGCXCIGXYRV-INIZCTEOSA-N 1 0 391.512 4.130 20 0 GIADRO Cc1ccc(CNC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 ZINC000024667653 819862729 /nfs/dbraw/zinc/86/27/29/819862729.db2.gz SDPYIEMPAHWUFO-IEBWSBKVSA-N 1 0 377.488 4.021 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)Cc3c(C)[nH]c4ccccc43)c(C)c2)CC1 ZINC000024680962 819863958 /nfs/dbraw/zinc/86/39/58/819863958.db2.gz OGTFZPFILGCUJQ-UHFFFAOYSA-N 1 0 390.531 4.108 20 0 GIADRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)Nc2ccc(N3CCC3=O)cc2)c1 ZINC000410249797 823433931 /nfs/dbraw/zinc/43/39/31/823433931.db2.gz PRLWCTNIXQBRAH-UHFFFAOYSA-N 1 0 399.494 4.308 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccc2c(c1)CCCCC2=O ZINC000573022321 823434962 /nfs/dbraw/zinc/43/49/62/823434962.db2.gz ALVPYFYZDHVXEH-UHFFFAOYSA-N 1 0 376.500 4.122 20 0 GIADRO Cc1cccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000573022469 823434991 /nfs/dbraw/zinc/43/49/91/823434991.db2.gz HXXHCZPEKSSZTB-VHKYSDTDSA-N 1 0 389.902 4.150 20 0 GIADRO COc1cc(C)c(C[N@H+](C)CCC(=O)Nc2ccccc2SC)cc1OC ZINC000024804565 819879068 /nfs/dbraw/zinc/87/90/68/819879068.db2.gz DYQLURZBDABFFR-UHFFFAOYSA-N 1 0 388.533 4.195 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cccnc2-c2ccc(Cl)s2)C1 ZINC000189518411 823435707 /nfs/dbraw/zinc/43/57/07/823435707.db2.gz CGQPALCZVHDRJR-ZDUSSCGKSA-N 1 0 378.929 4.269 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1cccc(Nc2ncccn2)c1)c1ccccc1 ZINC000024863923 819886251 /nfs/dbraw/zinc/88/62/51/819886251.db2.gz CVBJNAFHLAXRDK-NRFANRHFSA-N 1 0 389.503 4.033 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)c2ccc(OC(F)F)c(OC)c2)c1 ZINC000024925504 819896086 /nfs/dbraw/zinc/89/60/86/819896086.db2.gz TUANEZKGYFBXOJ-UHFFFAOYSA-N 1 0 378.419 4.391 20 0 GIADRO Cn1c(CC[NH2+]Cc2ccc(-c3ccncc3)cc2F)nc2c1cccc2F ZINC000122962846 823440539 /nfs/dbraw/zinc/44/05/39/823440539.db2.gz XHLFSUXVONUPCO-UHFFFAOYSA-N 1 0 378.426 4.246 20 0 GIADRO c1sc(CCC[NH2+][C@H]2CCN(CCc3ccccc3)C2)nc1-c1ccncc1 ZINC000177334470 823437741 /nfs/dbraw/zinc/43/77/41/823437741.db2.gz CLKBFKSGOKAKKM-NRFANRHFSA-N 1 0 392.572 4.044 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)Nc2cccnc2-c2ccc(Cl)s2)CC[N@@H+]1C ZINC000189527733 823437812 /nfs/dbraw/zinc/43/78/12/823437812.db2.gz IAGCXUZIYIETFM-QWHCGFSZSA-N 1 0 378.929 4.410 20 0 GIADRO C[C@H](Oc1ccc(Cl)c2ccccc12)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000573037454 823437913 /nfs/dbraw/zinc/43/79/13/823437913.db2.gz VNBHJZNTVGDCQE-PMRDEQMMSA-N 1 0 386.923 4.344 20 0 GIADRO CCCC(=O)Nc1cccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1C ZINC000189527791 823437972 /nfs/dbraw/zinc/43/79/72/823437972.db2.gz SIGGNAYTKQKXSL-IFMALSPDSA-N 1 0 394.519 4.301 20 0 GIADRO CC[NH2+]Cc1cccc(NC(=O)c2ccccc2OCc2c(C)noc2C)c1 ZINC000122947741 823438550 /nfs/dbraw/zinc/43/85/50/823438550.db2.gz OZNZOAAOLUGQAM-UHFFFAOYSA-N 1 0 379.460 4.232 20 0 GIADRO CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)[NH+]2CCC3(CCCC3)CC2)c1 ZINC000573045867 823439449 /nfs/dbraw/zinc/43/94/49/823439449.db2.gz GGOPAQQGRZWKER-GOSISDBHSA-N 1 0 385.552 4.152 20 0 GIADRO Cc1ccc(C)c(SCC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)c1 ZINC000025258328 819952147 /nfs/dbraw/zinc/95/21/47/819952147.db2.gz SPHCTEOMMQPJGG-UHFFFAOYSA-N 1 0 383.561 4.094 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1cnc(Cc2ccc(F)cc2)s1 ZINC000177349576 823442195 /nfs/dbraw/zinc/44/21/95/823442195.db2.gz QHVCOXCYJLJNEX-UHFFFAOYSA-N 1 0 383.492 4.495 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H](C)Oc1ccccc1Br ZINC000177350046 823442476 /nfs/dbraw/zinc/44/24/76/823442476.db2.gz HAZYBKUCBJQZTH-CQSZACIVSA-N 1 0 391.309 4.225 20 0 GIADRO O=C(COc1cc(Cl)ccc1Cl)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000025383701 819973761 /nfs/dbraw/zinc/97/37/61/819973761.db2.gz ZTODVOYEDIDWRQ-OAHLLOKOSA-N 1 0 399.343 4.387 20 0 GIADRO Cc1nc2cc(F)ccc2cc1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000025383769 819973839 /nfs/dbraw/zinc/97/38/39/819973839.db2.gz IYFPXXMTZAYQQJ-LJQANCHMSA-N 1 0 383.492 4.311 20 0 GIADRO CC(C)(C)OC(=O)N1CCC([NH2+]C[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000177350573 823442514 /nfs/dbraw/zinc/44/25/14/823442514.db2.gz ANDZNJXRAGHLQS-MRXNPFEDSA-N 1 0 389.323 4.016 20 0 GIADRO COC[C@H](C)C[N@H+](CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(C)C ZINC000189553486 823442670 /nfs/dbraw/zinc/44/26/70/823442670.db2.gz KTNICXFZROIJOH-GFCCVEGCSA-N 1 0 380.838 4.290 20 0 GIADRO CC(=O)c1ccc(-c2ccc(C(=O)NC[C@H](c3ccccc3)[NH+](C)C)o2)cc1 ZINC000025420352 819977909 /nfs/dbraw/zinc/97/79/09/819977909.db2.gz NINSWSNJQNQPJF-HXUWFJFHSA-N 1 0 376.456 4.182 20 0 GIADRO O=C(N1CC[C@H]([NH+]2CCCC2)C1)C1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000189553670 823442750 /nfs/dbraw/zinc/44/27/50/823442750.db2.gz YPTDELIOEZURHV-AWEZNQCLSA-N 1 0 386.845 4.087 20 0 GIADRO CC(C)OCCC(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000058744770 823443122 /nfs/dbraw/zinc/44/31/22/823443122.db2.gz JKGGOPQKFCEFNL-UHFFFAOYSA-N 1 0 380.532 4.381 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000573068113 823443289 /nfs/dbraw/zinc/44/32/89/823443289.db2.gz JFDRAEDOHDXODO-NRFANRHFSA-N 1 0 389.503 4.050 20 0 GIADRO Cc1nc(-c2c[nH]c(C(=O)NCC(C)(C)[N@@H+]3CCc4ccccc4C3)c2)cs1 ZINC000025463064 819985888 /nfs/dbraw/zinc/98/58/88/819985888.db2.gz YQTINNQMRSXFNT-UHFFFAOYSA-N 1 0 394.544 4.013 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)CCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000177353902 823443579 /nfs/dbraw/zinc/44/35/79/823443579.db2.gz OIEMDMZLYZLLEV-UHFFFAOYSA-N 1 0 398.894 4.331 20 0 GIADRO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)C[N@@H+]1CCC[C@@H](C)C1 ZINC000025498676 819991807 /nfs/dbraw/zinc/99/18/07/819991807.db2.gz HNIDDNXVRAUQIZ-MOPGFXCFSA-N 1 0 393.531 4.190 20 0 GIADRO CC(C)c1nnc(CNc2cc(Cl)ccc2OC2CC[NH+](C)CC2)s1 ZINC000573073987 823443895 /nfs/dbraw/zinc/44/38/95/823443895.db2.gz VBHJFPHFCWELQJ-UHFFFAOYSA-N 1 0 380.945 4.400 20 0 GIADRO COc1cc(CN[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)c(SC)cc1OC ZINC000573072101 823444026 /nfs/dbraw/zinc/44/40/26/823444026.db2.gz UEKGQGIUEWFSGQ-KRWDZBQOSA-N 1 0 394.968 4.472 20 0 GIADRO COc1cccc(CCC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000025537258 819999312 /nfs/dbraw/zinc/99/93/12/819999312.db2.gz TUHGVCQTCZVQGW-UHFFFAOYSA-N 1 0 386.923 4.062 20 0 GIADRO Cc1[nH]c2ccccc2c1CC(=O)NC[C@@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000025541578 820000788 /nfs/dbraw/zinc/00/07/88/820000788.db2.gz SDBVAZPEIXZHGU-DEOSSOPVSA-N 1 0 389.543 4.218 20 0 GIADRO CC(C)Cn1c(-c2ccoc2)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000460584505 823444422 /nfs/dbraw/zinc/44/44/22/823444422.db2.gz QXRCJXCBDHOAOY-UHFFFAOYSA-N 1 0 393.535 4.295 20 0 GIADRO O=C(CC[C@H]1CCOC1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000177360255 823444454 /nfs/dbraw/zinc/44/44/54/823444454.db2.gz BGWSXDRNEJXQKE-INIZCTEOSA-N 1 0 399.362 4.235 20 0 GIADRO CCCOc1ccc(C(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)cc1OCC ZINC000025631207 820008359 /nfs/dbraw/zinc/00/83/59/820008359.db2.gz SGESXHZXRIMBTN-GOSISDBHSA-N 1 0 396.531 4.051 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000177360530 823444876 /nfs/dbraw/zinc/44/48/76/823444876.db2.gz GYJSKCLSRMYVRZ-UHFFFAOYSA-N 1 0 398.894 4.331 20 0 GIADRO CCCCOc1ccc(C(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)cc1OC ZINC000025633443 820009220 /nfs/dbraw/zinc/00/92/20/820009220.db2.gz MGOVIQGVYQSRTF-SFHVURJKSA-N 1 0 396.531 4.051 20 0 GIADRO C[C@H](CNC(=O)c1ccc(-c2ccc(F)cc2)o1)[N@@H+]1CCc2ccccc2C1 ZINC000025635112 820009308 /nfs/dbraw/zinc/00/93/08/820009308.db2.gz VEXDBHKAZZXDLG-MRXNPFEDSA-N 1 0 378.447 4.262 20 0 GIADRO C[C@@H](CNC(=O)Cc1ccc(Cl)cc1Cl)[N@@H+]1CCc2ccccc2C1 ZINC000025633776 820009376 /nfs/dbraw/zinc/00/93/76/820009376.db2.gz RKENAPKCZGFVJA-AWEZNQCLSA-N 1 0 377.315 4.099 20 0 GIADRO Cc1nc(-c2ccccc2)ccc1C(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000025638027 820009541 /nfs/dbraw/zinc/00/95/41/820009541.db2.gz OGQLVUJHFVVCAR-SFHVURJKSA-N 1 0 385.511 4.234 20 0 GIADRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)C(C)(C)c1ccc2c(c1)OCO2 ZINC000573082590 823445297 /nfs/dbraw/zinc/44/52/97/823445297.db2.gz XZYGKSUHQIWFTE-UHFFFAOYSA-N 1 0 380.488 4.236 20 0 GIADRO CC(C)(C)c1cnc(CCC(=O)N2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)o1 ZINC000573083510 823445655 /nfs/dbraw/zinc/44/56/55/823445655.db2.gz VSJIFOQBZLZBSC-VQTJNVASSA-N 1 0 397.563 4.103 20 0 GIADRO Cc1cc(OCC[NH+]2CCC(NC(=O)c3ccccc3)CC2)ccc1C(C)C ZINC000025827090 820029369 /nfs/dbraw/zinc/02/93/69/820029369.db2.gz NXAPLXNREQJOOT-UHFFFAOYSA-N 1 0 380.532 4.392 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)NCc2sccc2Br)cc1 ZINC000058767334 823447491 /nfs/dbraw/zinc/44/74/91/823447491.db2.gz NYZIXSCZEYNIPM-UHFFFAOYSA-N 1 0 381.339 4.282 20 0 GIADRO CC[C@@H]([NH2+]CC(=O)Nc1ccccc1C(=O)NC(C)C)c1ccc(Cl)cc1 ZINC000025938011 820042582 /nfs/dbraw/zinc/04/25/82/820042582.db2.gz ZPUVDLQKMOEHIR-GOSISDBHSA-N 1 0 387.911 4.158 20 0 GIADRO O=C(CC[NH+]1CCC(C(=O)c2ccccc2)CC1)N[C@H]1CCCc2ccccc21 ZINC000025946912 820042673 /nfs/dbraw/zinc/04/26/73/820042673.db2.gz QBDMOZVJRSSROU-QHCPKHFHSA-N 1 0 390.527 4.165 20 0 GIADRO CN(C)C(=O)c1cccc(CC[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)c1 ZINC000177372545 823448090 /nfs/dbraw/zinc/44/80/90/823448090.db2.gz YAPRFVMBULIGAJ-HSZRJFAPSA-N 1 0 376.475 4.449 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@@H](c1ccco1)N1CCCC1)CC3 ZINC000123013094 823448231 /nfs/dbraw/zinc/44/82/31/823448231.db2.gz FCIKLCBNBLUVFL-AOMKIAJQSA-N 1 0 379.504 4.054 20 0 GIADRO CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000026179419 820066965 /nfs/dbraw/zinc/06/69/65/820066965.db2.gz CVNMEGSXEMSGFO-UHFFFAOYSA-N 1 0 387.446 4.036 20 0 GIADRO C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@@H](C)c1ccc(NC(N)=O)cc1 ZINC000123033298 823451141 /nfs/dbraw/zinc/45/11/41/823451141.db2.gz IWLVXWVKLVZACX-KGLIPLIRSA-N 1 0 377.435 4.451 20 0 GIADRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc(SC)cc2)cc1 ZINC000026311144 820081647 /nfs/dbraw/zinc/08/16/47/820081647.db2.gz KRQGRBPBKMAHTN-MRXNPFEDSA-N 1 0 392.590 4.290 20 0 GIADRO COc1ccc(C2(C(=O)NCc3ccc(C[NH+]4CCCC4)cc3)CCCC2)cc1 ZINC000058783601 823451413 /nfs/dbraw/zinc/45/14/13/823451413.db2.gz KWNZXFOBRZFNCU-UHFFFAOYSA-N 1 0 392.543 4.419 20 0 GIADRO Cc1cccc(C)c1NC(=O)CCC[NH+]1CCC(CCCn2ccnc2)CC1 ZINC000573130634 823451562 /nfs/dbraw/zinc/45/15/62/823451562.db2.gz LEASTLYPIGYIHT-UHFFFAOYSA-N 1 0 382.552 4.411 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)c2cccc(OC[C@@H]3CCCO3)c2)cc1 ZINC000026349655 820087460 /nfs/dbraw/zinc/08/74/60/820087460.db2.gz RLVSEVAZOPSYGG-QHCPKHFHSA-N 1 0 396.531 4.016 20 0 GIADRO C[C@H](N[C@@H](C)c1ccccc1Cl)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000026364694 820089503 /nfs/dbraw/zinc/08/95/03/820089503.db2.gz OOVZTRTWZNJHFF-ROUUACIJSA-N 1 0 399.966 4.160 20 0 GIADRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccc(Oc4cccc(F)c4)cc3)[C@@H]2C1 ZINC000573132247 823451984 /nfs/dbraw/zinc/45/19/84/823451984.db2.gz OMEJKONNYWYZAM-CDNPAEQRSA-N 1 0 382.479 4.355 20 0 GIADRO CC[C@H](C)Oc1cc(C[NH+]2CCC(NC(=O)c3ccccc3)CC2)ccc1OC ZINC000123047227 823452908 /nfs/dbraw/zinc/45/29/08/823452908.db2.gz VULDCWJRTKWPLH-SFHVURJKSA-N 1 0 396.531 4.267 20 0 GIADRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1ccc(COc2ccccc2)cc1 ZINC000177405973 823454659 /nfs/dbraw/zinc/45/46/59/823454659.db2.gz MYVHBAVULRGTCR-UHFFFAOYSA-N 1 0 378.516 4.402 20 0 GIADRO COc1ccc(OC)c([C@@H](C)[NH2+]C[C@H](O)COc2ccc(C(C)(C)C)cc2)c1 ZINC000026714968 820136218 /nfs/dbraw/zinc/13/62/18/820136218.db2.gz TZNBITWAXSXPAO-AEFFLSMTSA-N 1 0 387.520 4.092 20 0 GIADRO COc1ccccc1-c1nc(C(=O)NCCCC[NH+]2CCC(C)CC2)cs1 ZINC000058807930 823455839 /nfs/dbraw/zinc/45/58/39/823455839.db2.gz SKRYBRKHJXNDHN-UHFFFAOYSA-N 1 0 387.549 4.061 20 0 GIADRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1cc2c(cccc2Br)[nH]1 ZINC000177414926 823456847 /nfs/dbraw/zinc/45/68/47/823456847.db2.gz ZUCKWEIARGPJPU-UHFFFAOYSA-N 1 0 390.325 4.067 20 0 GIADRO O=C(c1cc(Oc2ccccc2)ccc1O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000177416234 823457262 /nfs/dbraw/zinc/45/72/62/823457262.db2.gz MCKPYWKJAXGXNG-GOSISDBHSA-N 1 0 380.488 4.275 20 0 GIADRO COc1cc(Br)ccc1C[NH2+]C[C@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000189610498 823457611 /nfs/dbraw/zinc/45/76/11/823457611.db2.gz AHFNLQXDKLEJAU-WFASDCNBSA-N 1 0 396.247 4.031 20 0 GIADRO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@H](c1ccco1)N(C)C ZINC000123075206 823457881 /nfs/dbraw/zinc/45/78/81/823457881.db2.gz PFFROLLRYWHSEB-HXUWFJFHSA-N 1 0 386.927 4.187 20 0 GIADRO CC1CC[NH+](CCc2cccc(NC(=O)NC[C@H]3COc4ccccc43)c2)CC1 ZINC000573163602 823458007 /nfs/dbraw/zinc/45/80/07/823458007.db2.gz PPXPBCPCGLXJGY-FQEVSTJZSA-N 1 0 393.531 4.259 20 0 GIADRO COc1ccccc1-c1nc(C(=O)N2CC[NH+](CCC(C)(C)C)CC2)cs1 ZINC000058824753 823459625 /nfs/dbraw/zinc/45/96/25/823459625.db2.gz ITLPWPIBUMRQGY-UHFFFAOYSA-N 1 0 387.549 4.013 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)NCc2ccnc(N3CCCCCC3)c2)cc1 ZINC000410308485 823458770 /nfs/dbraw/zinc/45/87/70/823458770.db2.gz WPPXSTJWABVXCE-UHFFFAOYSA-N 1 0 394.563 4.234 20 0 GIADRO O=C(NC1CC[NH+](C2CCCC2)CC1)[C@H](Oc1ccccc1)c1ccccc1 ZINC000177421586 823458895 /nfs/dbraw/zinc/45/88/95/823458895.db2.gz KZVSXHOOKWKADI-HSZRJFAPSA-N 1 0 378.516 4.330 20 0 GIADRO COc1ccc(C(=O)Nc2cc(C[NH+](C)C)ccc2C)cc1-c1ccccn1 ZINC000123080653 823458916 /nfs/dbraw/zinc/45/89/16/823458916.db2.gz LGZLLPGQQYLBJJ-UHFFFAOYSA-N 1 0 375.472 4.380 20 0 GIADRO CSc1nc(C)c(CCC(=O)Nc2cccc(C[NH+]3CCCCC3)c2)c(C)n1 ZINC000027140729 820200823 /nfs/dbraw/zinc/20/08/23/820200823.db2.gz VVFDLNOSQLQZRZ-UHFFFAOYSA-N 1 0 398.576 4.373 20 0 GIADRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1cc(Cl)ccc1Br ZINC000177434606 823461220 /nfs/dbraw/zinc/46/12/20/823461220.db2.gz GJLTVAPZZNCFQV-UHFFFAOYSA-N 1 0 385.733 4.239 20 0 GIADRO [NH3+][C@@H]1CCCC[C@H]1CC(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000573203677 823464966 /nfs/dbraw/zinc/46/49/66/823464966.db2.gz QHCWUZAXDXCSAH-USXIJHARSA-N 1 0 387.524 4.350 20 0 GIADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc(Br)cc1Cl ZINC000058842888 823461348 /nfs/dbraw/zinc/46/13/48/823461348.db2.gz ADEVCTBTKULREO-GFCCVEGCSA-N 1 0 375.738 4.343 20 0 GIADRO CCOc1cc(C[NH2+]CCc2nc3c(cccc3C)o2)ccc1OC(F)F ZINC000410318072 823461365 /nfs/dbraw/zinc/46/13/65/823461365.db2.gz NTXTWLNIRFKOMV-UHFFFAOYSA-N 1 0 376.403 4.469 20 0 GIADRO COc1ccc(C[NH2+]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)cc1Br ZINC000189623958 823461494 /nfs/dbraw/zinc/46/14/94/823461494.db2.gz MNMYVJFWENQFNQ-WFASDCNBSA-N 1 0 396.247 4.031 20 0 GIADRO CCC(C)(C)C1CCC(NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000410318947 823461743 /nfs/dbraw/zinc/46/17/43/823461743.db2.gz KMVDWGLEUWMQQZ-UHFFFAOYSA-N 1 0 386.584 4.340 20 0 GIADRO CN(C)[C@@H](C[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1)c1ccco1 ZINC000027217222 820211455 /nfs/dbraw/zinc/21/14/55/820211455.db2.gz WASWTPWRTHIESR-IBGZPJMESA-N 1 0 385.895 4.300 20 0 GIADRO COc1c(Br)cccc1C[NH2+]CCc1nc2c(cccc2C)o1 ZINC000410319159 823461768 /nfs/dbraw/zinc/46/17/68/823461768.db2.gz SXEPLJAHPFXOGK-UHFFFAOYSA-N 1 0 375.266 4.240 20 0 GIADRO CCCCOc1ccc(C[NH2+][C@H](C)c2ccc3c(c2)NC(=O)CO3)cc1OCC ZINC000027220783 820211835 /nfs/dbraw/zinc/21/18/35/820211835.db2.gz ONODMFYVWUUQMJ-MRXNPFEDSA-N 1 0 398.503 4.446 20 0 GIADRO COc1ccc([C@@H](CNC(=O)CCNc2ccccc2C)[NH+]2CCCCC2)cc1 ZINC000058845510 823461793 /nfs/dbraw/zinc/46/17/93/823461793.db2.gz RWOMTHQUWNSRPG-HSZRJFAPSA-N 1 0 395.547 4.149 20 0 GIADRO COc1cccc([C@H](CNC(=O)Nc2ccccc2N2CCCCC2)[NH+](C)C)c1 ZINC000058851463 823462115 /nfs/dbraw/zinc/46/21/15/823462115.db2.gz GAXXWPCHCMASEH-QFIPXVFZSA-N 1 0 396.535 4.110 20 0 GIADRO O=C(NC[C@H]1CCCO1)c1cccc(C[NH2+][C@@H]2CCCCc3ccccc32)c1 ZINC000177438414 823462323 /nfs/dbraw/zinc/46/23/23/823462323.db2.gz TZSFCOXXRQZLND-FYYLOGMGSA-N 1 0 378.516 4.153 20 0 GIADRO C[N@H+](CCOc1c(Cl)cccc1Cl)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000027288770 820221129 /nfs/dbraw/zinc/22/11/29/820221129.db2.gz LOBUAMIAKYIIJH-UHFFFAOYSA-N 1 0 393.314 4.396 20 0 GIADRO Cc1ccc(C(=O)C(C(=S)NCCc2ccccc2)[n+]2ccc(C)cc2)cc1 ZINC000027305689 820223183 /nfs/dbraw/zinc/22/31/83/820223183.db2.gz XHAHKTRUZBQWDA-UHFFFAOYSA-O 1 0 389.544 4.362 20 0 GIADRO COc1ccc(C(=O)C(C(=S)NC2CCCCC2)[n+]2cccc(C)c2)cc1 ZINC000027330175 820225147 /nfs/dbraw/zinc/22/51/47/820225147.db2.gz QDNWEZUXMRWPBH-UHFFFAOYSA-O 1 0 383.537 4.152 20 0 GIADRO CCCCOc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1OC ZINC000027334014 820225975 /nfs/dbraw/zinc/22/59/75/820225975.db2.gz WXOJBKOWDXLQDX-SFHVURJKSA-N 1 0 386.492 4.034 20 0 GIADRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1cc(-c2ccc(Cl)s2)on1 ZINC000177440424 823462825 /nfs/dbraw/zinc/46/28/25/823462825.db2.gz OJEVOKQHFNSWKM-UHFFFAOYSA-N 1 0 379.913 4.193 20 0 GIADRO Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000573185626 823462907 /nfs/dbraw/zinc/46/29/07/823462907.db2.gz DUBUSOANICXENW-JQWIXIFHSA-N 1 0 394.302 4.312 20 0 GIADRO C[C@H](CC(=O)N1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1)[C@H]1CCC[NH2+]C1 ZINC000573204178 823465178 /nfs/dbraw/zinc/46/51/78/823465178.db2.gz MJLXKYBWOZPYCD-LMNJBCLMSA-N 1 0 380.536 4.156 20 0 GIADRO CCCOc1cc(C[NH2+]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)ccc1OC ZINC000189632065 823463078 /nfs/dbraw/zinc/46/30/78/823463078.db2.gz YXQZRTSWNYMMJD-MAUKXSAKSA-N 1 0 375.431 4.057 20 0 GIADRO O=C(NC1CC[NH+](C2CCCC2)CC1)C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000177443099 823463197 /nfs/dbraw/zinc/46/31/97/823463197.db2.gz DRWYYNVSKDSKIW-UHFFFAOYSA-N 1 0 380.454 4.260 20 0 GIADRO CC(C)c1cccc(O[C@H](C)C(=O)NC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000410326001 823463628 /nfs/dbraw/zinc/46/36/28/823463628.db2.gz BQLSVMYBWDCKMA-HXUWFJFHSA-N 1 0 394.559 4.401 20 0 GIADRO CCCOc1ccc(C[NH2+]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)cc1OC ZINC000189636663 823463801 /nfs/dbraw/zinc/46/38/01/823463801.db2.gz DNBWTVKSGKJUKG-YJBOKZPZSA-N 1 0 375.431 4.057 20 0 GIADRO Cc1cc(C(=O)C(C(=S)N[C@@H]2CCCC[C@@H]2C)[n+]2ccccc2)c(C)n1C ZINC000027486690 820251640 /nfs/dbraw/zinc/25/16/40/820251640.db2.gz ZRZHEYUYSXMSPG-HNAYVOBHSA-O 1 0 384.569 4.037 20 0 GIADRO COc1ccc(C(=O)C(C(=S)N[C@@H]2CCCC[C@H]2C)[n+]2cccc(C)c2)cc1 ZINC000027487664 820252148 /nfs/dbraw/zinc/25/21/48/820252148.db2.gz PKZZPVWLCXWQHY-YLJYHZDGSA-O 1 0 397.564 4.398 20 0 GIADRO C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000027575996 820262134 /nfs/dbraw/zinc/26/21/34/820262134.db2.gz WUTFTXUPTIQRPE-HXUWFJFHSA-N 1 0 393.575 4.171 20 0 GIADRO C[C@@H](C(=O)Nc1cccc2ccccc21)N1CC[NH+](CCc2ccccc2)CC1 ZINC000027576005 820262592 /nfs/dbraw/zinc/26/25/92/820262592.db2.gz NQFUDBBBHVHIBB-FQEVSTJZSA-N 1 0 387.527 4.027 20 0 GIADRO O=C(COc1cc(Cl)ccc1Cl)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000058880014 823465490 /nfs/dbraw/zinc/46/54/90/823465490.db2.gz NNKQUDNASVJTNJ-UHFFFAOYSA-N 1 0 399.362 4.487 20 0 GIADRO COc1ccc(S[C@@H](C)C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000058879678 823465498 /nfs/dbraw/zinc/46/54/98/823465498.db2.gz VTJXFIQNNVCIKX-SFHVURJKSA-N 1 0 390.593 4.290 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)CCc1ccc(-c2ccccc2)o1)Cc1ccccc1 ZINC000027581942 820263219 /nfs/dbraw/zinc/26/32/19/820263219.db2.gz MZYBJSAAGYUXDQ-NRFANRHFSA-N 1 0 376.500 4.168 20 0 GIADRO CC(=O)c1ccc(OCCCC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000027602519 820265571 /nfs/dbraw/zinc/26/55/71/820265571.db2.gz DNAPNNXLQPGLPE-HSZRJFAPSA-N 1 0 394.515 4.002 20 0 GIADRO COc1cc(NC(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)cc(OC)c1 ZINC000410334776 823466058 /nfs/dbraw/zinc/46/60/58/823466058.db2.gz HYMSXEPKHKALRI-UHFFFAOYSA-N 1 0 397.519 4.257 20 0 GIADRO COc1ccccc1-c1nc(C(=O)N(CC[NH+](C)C)c2ccccc2)cs1 ZINC000058881912 823466054 /nfs/dbraw/zinc/46/60/54/823466054.db2.gz CBRMUCYZUNJQCW-UHFFFAOYSA-N 1 0 381.501 4.027 20 0 GIADRO O=C(Cc1ccc(Br)cc1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000058881655 823466063 /nfs/dbraw/zinc/46/60/63/823466063.db2.gz VCNQEGIYAFHTAN-UHFFFAOYSA-N 1 0 393.369 4.106 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1cc(Br)ccc1Cl)c1cccs1 ZINC000027676300 820273389 /nfs/dbraw/zinc/27/33/89/820273389.db2.gz QPQPYJNPEPAFDV-CYBMUJFWSA-N 1 0 387.730 4.197 20 0 GIADRO Cn1c2ccccc2c2cc(C(=O)NC[C@H](c3cccs3)[NH+](C)C)sc21 ZINC000027674810 820273439 /nfs/dbraw/zinc/27/34/39/820273439.db2.gz RZLPBCAVYKCQII-MRXNPFEDSA-N 1 0 383.542 4.487 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1cccc(NC(=O)OC(C)(C)C)c1)c1cccs1 ZINC000027677468 820274181 /nfs/dbraw/zinc/27/41/81/820274181.db2.gz GHPNNEFXHMPFNC-MRXNPFEDSA-N 1 0 389.521 4.128 20 0 GIADRO CC1CC[NH+](Cc2ccc(CNC(=O)Nc3ccccc3N(C)C)cc2)CC1 ZINC000410338587 823466785 /nfs/dbraw/zinc/46/67/85/823466785.db2.gz GEWRLYCAYLKATK-UHFFFAOYSA-N 1 0 380.536 4.306 20 0 GIADRO CC(C)CN(CC[NH+](C)C)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000058885276 823466861 /nfs/dbraw/zinc/46/68/61/823466861.db2.gz QOCAAQVXDQMYIE-UHFFFAOYSA-N 1 0 384.364 4.384 20 0 GIADRO C[C@H](NC(=O)N[C@H]1CCc2sc(Cl)cc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000460650285 823466911 /nfs/dbraw/zinc/46/69/11/823466911.db2.gz CFNQPYPKTVBRMI-XEZPLFJOSA-N 1 0 381.973 4.341 20 0 GIADRO Cc1csc(SCc2ccccc2C(=O)N[C@H](C)C[NH+]2CCCCC2)n1 ZINC000027765396 820284363 /nfs/dbraw/zinc/28/43/63/820284363.db2.gz BAHVJYFKHMWCOC-OAHLLOKOSA-N 1 0 389.590 4.348 20 0 GIADRO CC(C)COC[C@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)c1ccco1 ZINC000177459165 823467304 /nfs/dbraw/zinc/46/73/04/823467304.db2.gz VLZGSIRLCQOQIE-FQEVSTJZSA-N 1 0 391.556 4.090 20 0 GIADRO CC1CC[NH+](Cc2ccccc2CNC(=O)N2CCC[C@H]2c2cccn2C)CC1 ZINC000410340183 823467390 /nfs/dbraw/zinc/46/73/90/823467390.db2.gz MRXZKSPAUDMFRB-QHCPKHFHSA-N 1 0 394.563 4.304 20 0 GIADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)CCOc2ccc(Cl)cc2Cl)C1 ZINC000058898799 823467937 /nfs/dbraw/zinc/46/79/37/823467937.db2.gz FEMLDWUZBPSMJI-OAHLLOKOSA-N 1 0 387.351 4.391 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccc(Br)cc1Cl ZINC000058898603 823467951 /nfs/dbraw/zinc/46/79/51/823467951.db2.gz DGCYOQHYTFFPDB-ZDUSSCGKSA-N 1 0 387.749 4.487 20 0 GIADRO CC(C)c1ccccc1OCC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000027927265 820297672 /nfs/dbraw/zinc/29/76/72/820297672.db2.gz UWXOPLIGHABOEP-UHFFFAOYSA-N 1 0 380.532 4.012 20 0 GIADRO O=C(Cc1ccc(C(F)(F)F)cc1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000027932181 820298059 /nfs/dbraw/zinc/29/80/59/820298059.db2.gz WFGNGPKTLOGOMM-UHFFFAOYSA-N 1 0 390.449 4.071 20 0 GIADRO C[C@@H](CCc1ccco1)NC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000410345253 823468846 /nfs/dbraw/zinc/46/88/46/823468846.db2.gz OYAIOZXAHUXCCC-OALUTQOASA-N 1 0 383.536 4.475 20 0 GIADRO Cc1[nH]c2ccccc2c1CCNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177467678 823469099 /nfs/dbraw/zinc/46/90/99/823469099.db2.gz IBDVNESXULAWBA-UHFFFAOYSA-N 1 0 382.552 4.115 20 0 GIADRO C[C@H](NC(=O)N1Cc2ccccc2OC(C)(C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000460658956 823469169 /nfs/dbraw/zinc/46/91/69/823469169.db2.gz UFZAMSUWXOCWEG-ROUUACIJSA-N 1 0 385.552 4.022 20 0 GIADRO COc1ccc2cc(C(=O)Nc3ccc(C[NH+]4CCCC4)cc3)c(C)nc2c1 ZINC000028175067 820315892 /nfs/dbraw/zinc/31/58/92/820315892.db2.gz GPVYKPYPXCSXFL-UHFFFAOYSA-N 1 0 375.472 4.400 20 0 GIADRO O=C(CCCOc1ccc(Cl)cc1Cl)N1CCC([NH+]2CCCC2)CC1 ZINC000058909821 823469421 /nfs/dbraw/zinc/46/94/21/823469421.db2.gz VUAIPBYBBAVCGC-UHFFFAOYSA-N 1 0 385.335 4.239 20 0 GIADRO CC(C)c1ccc(C(=O)Nc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)nc1 ZINC000573255643 823471518 /nfs/dbraw/zinc/47/15/18/823471518.db2.gz CKQODKGPHODKFL-UHFFFAOYSA-N 1 0 394.519 4.272 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)c2cc3cc(Cl)ccc3o2)CC1 ZINC000028244911 820320275 /nfs/dbraw/zinc/32/02/75/820320275.db2.gz MFQSJGPBOALPTP-UHFFFAOYSA-N 1 0 383.879 4.480 20 0 GIADRO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000028280930 820322194 /nfs/dbraw/zinc/32/21/94/820322194.db2.gz DYXQCYXRSOOLRA-PKOBYXMFSA-N 1 0 394.284 4.165 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(CC(C)(C)C)C2=O)cc1OCC ZINC000460660464 823469820 /nfs/dbraw/zinc/46/98/20/823469820.db2.gz SSWGOFXFHQAUJS-SJLPKXTDSA-N 1 0 376.541 4.172 20 0 GIADRO Cc1nc(NC(=O)CSCC2CC[NH2+]CC2)sc1Cc1ccc(C)cc1 ZINC000573244091 823469855 /nfs/dbraw/zinc/46/98/55/823469855.db2.gz PQZHZDFQDUYLSK-UHFFFAOYSA-N 1 0 389.590 4.022 20 0 GIADRO CCOCc1ccccc1CNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000028347608 820327569 /nfs/dbraw/zinc/32/75/69/820327569.db2.gz UFXFSQGQHXWITL-UHFFFAOYSA-N 1 0 395.547 4.208 20 0 GIADRO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)c(C)c1 ZINC000028350744 820328376 /nfs/dbraw/zinc/32/83/76/820328376.db2.gz KOXBZQQATGZHLD-DLBZAZTESA-N 1 0 379.504 4.330 20 0 GIADRO CC(C)(NC(=O)c1cccc(Cl)c1)c1noc(CC[C@@H]([NH3+])c2ccccc2)n1 ZINC000573246843 823470173 /nfs/dbraw/zinc/47/01/73/823470173.db2.gz IGWZGMXEVRPASL-QGZVFWFLSA-N 1 0 398.894 4.021 20 0 GIADRO CC(C)C[C@@H]([NH3+])c1noc(-c2cc(NC(=O)NC(C)(C)C)ccc2Cl)n1 ZINC000573247711 823470179 /nfs/dbraw/zinc/47/01/79/823470179.db2.gz IHSYKRBVWTWRJS-CQSZACIVSA-N 1 0 379.892 4.356 20 0 GIADRO CCOc1ccc(CN(C)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000028390110 820331895 /nfs/dbraw/zinc/33/18/95/820331895.db2.gz CGCNJRIGMFJNLN-UHFFFAOYSA-N 1 0 381.520 4.023 20 0 GIADRO COCc1ccccc1CNC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000410353286 823471004 /nfs/dbraw/zinc/47/10/04/823471004.db2.gz MKPWGAPYLYFJKY-IBGZPJMESA-N 1 0 395.547 4.064 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Nc1cnn([C@H](C)C2CC2)c1)c1cccc(OC)c1 ZINC000189674108 823472704 /nfs/dbraw/zinc/47/27/04/823472704.db2.gz FLGRZXHREVOJMG-IIBYNOLFSA-N 1 0 399.539 4.067 20 0 GIADRO COc1cc(C(=O)N2CCC([NH+]3CCCCC3)CC2)ccc1OC1CCCC1 ZINC000058935736 823472735 /nfs/dbraw/zinc/47/27/35/823472735.db2.gz WVOYTQCXHWKUQF-UHFFFAOYSA-N 1 0 386.536 4.107 20 0 GIADRO C[C@@H](Cc1cccs1)NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000410358983 823473456 /nfs/dbraw/zinc/47/34/56/823473456.db2.gz JNDPIITXNTZIFS-ROUUACIJSA-N 1 0 385.577 4.410 20 0 GIADRO CC[NH+]1CCC(CNC(=O)c2ccc(Oc3ccc(C(C)=O)cc3)cc2)CC1 ZINC000573271546 823473695 /nfs/dbraw/zinc/47/36/95/823473695.db2.gz PVPPGNITTVZNOF-UHFFFAOYSA-N 1 0 380.488 4.143 20 0 GIADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000123174314 823473966 /nfs/dbraw/zinc/47/39/66/823473966.db2.gz ZWKNWJXASVURQN-UHFFFAOYSA-N 1 0 380.319 4.397 20 0 GIADRO NC(=O)[C@@H]([NH2+]C[C@@H](c1c[nH]c2ccccc21)c1ccccc1)c1ccc(F)cc1 ZINC000028902709 820370424 /nfs/dbraw/zinc/37/04/24/820370424.db2.gz MTUHSGYEMPOGOF-OFNKIYASSA-N 1 0 387.458 4.255 20 0 GIADRO CCCN(Cc1ccc(F)cc1)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000573274361 823474191 /nfs/dbraw/zinc/47/41/91/823474191.db2.gz UDXLTGIDSDEACE-UHFFFAOYSA-N 1 0 384.499 4.059 20 0 GIADRO Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)c1C ZINC000028919426 820373554 /nfs/dbraw/zinc/37/35/54/820373554.db2.gz OGMLFHUPPOKGGR-XMSQKQJNSA-N 1 0 396.531 4.051 20 0 GIADRO CCOc1cc(C[NH2+][C@@H](C)c2cccc(NC(C)=O)c2)ccc1OC(F)F ZINC000028924941 820374409 /nfs/dbraw/zinc/37/44/09/820374409.db2.gz IBHQIEHORPAGRX-ZDUSSCGKSA-N 1 0 378.419 4.496 20 0 GIADRO COc1ccc2c(c1)CCCN2C(=O)C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000028927044 820374809 /nfs/dbraw/zinc/37/48/09/820374809.db2.gz IDEQVQSFCNEYHM-UHFFFAOYSA-N 1 0 386.495 4.354 20 0 GIADRO COc1ccc(NC(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c(OC)c1 ZINC000410363235 823474793 /nfs/dbraw/zinc/47/47/93/823474793.db2.gz ZYTWUHYGQGISIC-QGZVFWFLSA-N 1 0 397.519 4.257 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000058952571 823474929 /nfs/dbraw/zinc/47/49/29/823474929.db2.gz KWNSJMMIWVZEMC-BJRSVTDJSA-N 1 0 393.487 4.299 20 0 GIADRO CC(C)(C)c1ccc(OCC(=O)NC2CC[NH+](C3CC3)CC2)c(C(C)(C)C)c1 ZINC000029092764 820391310 /nfs/dbraw/zinc/39/13/10/820391310.db2.gz FARRNDWCLPOHQA-UHFFFAOYSA-N 1 0 386.580 4.403 20 0 GIADRO C[NH+](C)C1(CNC(=O)COC(c2ccccc2)c2ccccc2)CCCCC1 ZINC000058955335 823475706 /nfs/dbraw/zinc/47/57/06/823475706.db2.gz GZTDCAIZAPAFCX-UHFFFAOYSA-N 1 0 380.532 4.173 20 0 GIADRO COc1cc(NC(=O)C[NH2+][C@H](c2ccccc2)C(C)C)c(OC)cc1Cl ZINC000029117236 820395838 /nfs/dbraw/zinc/39/58/38/820395838.db2.gz AFTIIEYXVLUMLK-FQEVSTJZSA-N 1 0 376.884 4.283 20 0 GIADRO CC[C@H](c1ccncc1)N(C)C(=O)NC1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000123187755 823475987 /nfs/dbraw/zinc/47/59/87/823475987.db2.gz GEJNHTNABZMMPX-JOCHJYFZSA-N 1 0 380.536 4.147 20 0 GIADRO C[C@@H](CCc1ccco1)NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000410365781 823476108 /nfs/dbraw/zinc/47/61/08/823476108.db2.gz MDIKTKWINVZWRB-MOPGFXCFSA-N 1 0 383.536 4.332 20 0 GIADRO C/C=C/c1ccc(OCC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)c(OC)c1 ZINC000029177882 820406234 /nfs/dbraw/zinc/40/62/34/820406234.db2.gz UQKRENVWWSWDGN-XFHFFWBUSA-N 1 0 394.515 4.060 20 0 GIADRO Cc1oc(-c2ccccc2)nc1C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000029179031 820406991 /nfs/dbraw/zinc/40/69/91/820406991.db2.gz RXUXPSMBKLLBPZ-FQEVSTJZSA-N 1 0 375.472 4.217 20 0 GIADRO Cc1c(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000029178799 820407032 /nfs/dbraw/zinc/40/70/32/820407032.db2.gz OLGRYFYMNZYTLK-IBGZPJMESA-N 1 0 393.531 4.045 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCCc2ccccc2F)C1 ZINC000410369590 823477617 /nfs/dbraw/zinc/47/76/17/823477617.db2.gz RMIBQSSPRTZCFG-SFHVURJKSA-N 1 0 383.511 4.100 20 0 GIADRO CC[C@H](C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)C1CCC(C)CC1 ZINC000460684082 823478261 /nfs/dbraw/zinc/47/82/61/823478261.db2.gz MRUAKCMMZXSLQJ-FQVRHNBASA-N 1 0 399.579 4.175 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCc4ccccc4C3)cc2)C1 ZINC000410370926 823478386 /nfs/dbraw/zinc/47/83/86/823478386.db2.gz DWBZSNSXLNOWBC-LJQANCHMSA-N 1 0 377.532 4.186 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Nc1ccccc1N(C)C ZINC000410386383 823483042 /nfs/dbraw/zinc/48/30/42/823483042.db2.gz UFZIETPTTAELSN-GOSISDBHSA-N 1 0 380.536 4.449 20 0 GIADRO CC(C)[C@H](CNC(=O)NCc1ccccc1C[N@H+](C)C(C)C)Nc1ccccc1 ZINC000410371591 823478623 /nfs/dbraw/zinc/47/86/23/823478623.db2.gz LHJMRNUNVBGNNY-QHCPKHFHSA-N 1 0 396.579 4.463 20 0 GIADRO CC[C@@](C)(O)C[N@H+](Cc1ccccc1)Cc1ccc(OCc2nccn2C)cc1 ZINC000189727886 823483096 /nfs/dbraw/zinc/48/30/96/823483096.db2.gz KHTQFXUWFFFYEB-XMMPIXPASA-N 1 0 393.531 4.162 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000177509387 823479714 /nfs/dbraw/zinc/47/97/14/823479714.db2.gz KJMCEGRSHBKVKD-GFCCVEGCSA-N 1 0 375.847 4.137 20 0 GIADRO Cc1cccc(N2CC[NH+](Cc3ccc(NC(=O)c4ccoc4)cc3)CC2)c1 ZINC000029416674 820453339 /nfs/dbraw/zinc/45/33/39/820453339.db2.gz OWOWJKNMRXOMCT-UHFFFAOYSA-N 1 0 375.472 4.163 20 0 GIADRO C[N@@H+]1CC[C@H](NC(=O)Nc2cccc(Oc3ccccn3)c2)[C@@H]1c1ccccc1 ZINC000189708232 823480098 /nfs/dbraw/zinc/48/00/98/823480098.db2.gz JWZHDQZLUAONIE-UNMCSNQZSA-N 1 0 388.471 4.441 20 0 GIADRO COc1cc(C[NH2+]C[C@H]2CCC(C)(C)O2)cc(Br)c1OC(F)F ZINC000189719433 823481484 /nfs/dbraw/zinc/48/14/84/823481484.db2.gz FCCZJVFIPRDKIB-LLVKDONJSA-N 1 0 394.256 4.106 20 0 GIADRO COc1cc(C[NH2+]C[C@@H]2CCC(C)(C)O2)cc(Br)c1OC(F)F ZINC000189719454 823481486 /nfs/dbraw/zinc/48/14/86/823481486.db2.gz FCCZJVFIPRDKIB-NSHDSACASA-N 1 0 394.256 4.106 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)Nc2cccc(OCCF)c2)CC[N@@H+]1Cc1ccccc1 ZINC000123227513 823481707 /nfs/dbraw/zinc/48/17/07/823481707.db2.gz QLRAJPFFGXXMKV-XLIONFOSSA-N 1 0 385.483 4.210 20 0 GIADRO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000029563092 820476605 /nfs/dbraw/zinc/47/66/05/820476605.db2.gz QEAJOUGIIHZIIS-OIBXWCBGSA-N 1 0 386.580 4.245 20 0 GIADRO C[N@H+](CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2)C1CCCCCC1 ZINC000029599033 820481878 /nfs/dbraw/zinc/48/18/78/820481878.db2.gz WBCCVNPFEKIIFQ-FQEVSTJZSA-N 1 0 386.536 4.166 20 0 GIADRO C[N@@H+]1CC[C@@H](NC(=O)Nc2cc(F)ccc2Br)[C@@H]1c1ccccc1 ZINC000189723438 823482451 /nfs/dbraw/zinc/48/24/51/823482451.db2.gz KZASHCVFJFHTHP-WBVHZDCISA-N 1 0 392.272 4.155 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(COCc3ccco3)c2)C1 ZINC000177530557 823483539 /nfs/dbraw/zinc/48/35/39/823483539.db2.gz LKENDNCNIQOCCY-IBGZPJMESA-N 1 0 385.508 4.192 20 0 GIADRO OC[C@H](C[NH2+]Cc1cnc(C2CCCCC2)s1)Cc1ccc(F)c(F)c1 ZINC000573352233 823482885 /nfs/dbraw/zinc/48/28/85/823482885.db2.gz AQNHLZDDNROYDW-HNNXBMFYSA-N 1 0 380.504 4.410 20 0 GIADRO COc1ccc(CNC(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)cc1 ZINC000029655174 820494494 /nfs/dbraw/zinc/49/44/94/820494494.db2.gz MMURSSTZXFVEGV-LJQANCHMSA-N 1 0 387.549 4.029 20 0 GIADRO O=C(Nc1ccccc1)C1CC[NH+](Cc2cc(-c3ccc(F)cc3)no2)CC1 ZINC000029706163 820502567 /nfs/dbraw/zinc/50/25/67/820502567.db2.gz JAMDFSCIALRYNJ-UHFFFAOYSA-N 1 0 379.435 4.331 20 0 GIADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000177532669 823484351 /nfs/dbraw/zinc/48/43/51/823484351.db2.gz XDJWIKJDGGJQLJ-UHFFFAOYSA-N 1 0 394.519 4.141 20 0 GIADRO COc1ccc([C@H](NC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)C2CC2)cc1 ZINC000029729075 820508151 /nfs/dbraw/zinc/50/81/51/820508151.db2.gz XCHFLDWPYQUOFN-DHIUTWEWSA-N 1 0 393.531 4.283 20 0 GIADRO COC(=O)c1cc(C[NH2+]Cc2ccc(Oc3ccccc3F)c(F)c2)cn1C ZINC000573366359 823485143 /nfs/dbraw/zinc/48/51/43/823485143.db2.gz KHFPYVBADGEPRS-UHFFFAOYSA-N 1 0 386.398 4.172 20 0 GIADRO O=C(COc1ccc(Cl)c(Cl)c1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000029758469 820511804 /nfs/dbraw/zinc/51/18/04/820511804.db2.gz NDNHDHVAKDCHST-KRWDZBQOSA-N 1 0 397.302 4.309 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)c(C)c2)CC1 ZINC000029770990 820513756 /nfs/dbraw/zinc/51/37/56/820513756.db2.gz HHVMNYARRUMMRF-NHCUHLMSSA-N 1 0 381.495 4.018 20 0 GIADRO CC[NH+](CC)CCN(CC(C)C)C(=O)c1sc(NC(=O)C(C)(C)C)cc1C ZINC000059118154 823485924 /nfs/dbraw/zinc/48/59/24/823485924.db2.gz MHKCKUHIMVEAGZ-UHFFFAOYSA-N 1 0 395.613 4.481 20 0 GIADRO COc1ccc2c(C[N@@H+]3CCC[C@H](c4nc5ccccc5o4)C3)cc(=O)oc2c1 ZINC000029825315 820525106 /nfs/dbraw/zinc/52/51/06/820525106.db2.gz RRNMCDRPLQOLCG-HNNXBMFYSA-N 1 0 390.439 4.322 20 0 GIADRO CC[NH+]1CCN(Cc2ccc(NC(=O)[C@H](C)c3cccc(Cl)c3)cc2)CC1 ZINC000460707902 823489603 /nfs/dbraw/zinc/48/96/03/823489603.db2.gz HAQGRMXVZVTZOR-QGZVFWFLSA-N 1 0 385.939 4.220 20 0 GIADRO O[C@H](COc1ccc(Cl)cc1)C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029828725 820527382 /nfs/dbraw/zinc/52/73/82/820527382.db2.gz PEQWUTJPBDHLOO-WBVHZDCISA-N 1 0 386.879 4.101 20 0 GIADRO C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000029840738 820529999 /nfs/dbraw/zinc/52/99/99/820529999.db2.gz XXFYMNXVEXUSFN-MRXNPFEDSA-N 1 0 388.964 4.385 20 0 GIADRO Cc1ccc(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1NC(=O)Nc1ccccc1 ZINC000177543906 823486944 /nfs/dbraw/zinc/48/69/44/823486944.db2.gz ZGLUFIVRAGZWEL-PMACEKPBSA-N 1 0 394.519 4.242 20 0 GIADRO O=C(Nc1cccc(CSc2ccccn2)c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000177544543 823487137 /nfs/dbraw/zinc/48/71/37/823487137.db2.gz NRFUYTSAFOBVEO-LJQANCHMSA-N 1 0 396.560 4.324 20 0 GIADRO Cc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@@H](CO)C2CC2)cc1 ZINC000573409870 823489762 /nfs/dbraw/zinc/48/97/62/823489762.db2.gz SMNCZHQQVQUWHO-QHCPKHFHSA-N 1 0 375.516 4.015 20 0 GIADRO COc1ccc(Cl)cc1C[NH+]1CCC(C(=O)Nc2ccccc2OC)CC1 ZINC000029907445 820545514 /nfs/dbraw/zinc/54/55/14/820545514.db2.gz VNSVQHBZMNTEMS-UHFFFAOYSA-N 1 0 388.895 4.208 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@H](O)c1ccc(OC(C)C)cc1)CC3 ZINC000123266495 823487797 /nfs/dbraw/zinc/48/77/97/823487797.db2.gz GKUGTZKSDQZRJL-XDHUDOTRSA-N 1 0 394.515 4.144 20 0 GIADRO CCOc1cc(F)ccc1NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000059264622 823488093 /nfs/dbraw/zinc/48/80/93/823488093.db2.gz CDTNHURXMCPODK-INIZCTEOSA-N 1 0 377.485 4.245 20 0 GIADRO CSc1ccc([C@@H](CNC(=O)CCc2cc(Cl)cs2)[NH+](C)C)cc1 ZINC000573401872 823488365 /nfs/dbraw/zinc/48/83/65/823488365.db2.gz YWDHIGDRFZKVMP-QGZVFWFLSA-N 1 0 382.982 4.475 20 0 GIADRO CC[C@@H](NC(=O)NCc1cccc(OCC[NH+](C)C)c1)c1cccc(Cl)c1 ZINC000410411438 823489974 /nfs/dbraw/zinc/48/99/74/823489974.db2.gz OYTDBDWRQUWWSO-HXUWFJFHSA-N 1 0 389.927 4.231 20 0 GIADRO Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000410407775 823489336 /nfs/dbraw/zinc/48/93/36/823489336.db2.gz MCXZWAWEOVUNCI-HXUWFJFHSA-N 1 0 399.535 4.041 20 0 GIADRO Cc1ccccc1C[N@@H+]1CCCN(CC(=O)Nc2cccc(Cl)c2C)CC1 ZINC000030153655 820580377 /nfs/dbraw/zinc/58/03/77/820580377.db2.gz OFHZHKIVFQUPHY-UHFFFAOYSA-N 1 0 385.939 4.103 20 0 GIADRO Cc1cc(C)c(NC(=O)CN2CCC[N@H+](Cc3ccccc3C)CC2)c(C)c1 ZINC000030153706 820580790 /nfs/dbraw/zinc/58/07/90/820580790.db2.gz LIOWJBOQILTHJV-UHFFFAOYSA-N 1 0 379.548 4.067 20 0 GIADRO CC1CC[NH+](Cc2ccc(CNC(=O)CCOc3cccc(F)c3)cc2)CC1 ZINC000030250323 820591183 /nfs/dbraw/zinc/59/11/83/820591183.db2.gz KPUCCJKCQALOLF-UHFFFAOYSA-N 1 0 384.495 4.143 20 0 GIADRO CCN(CCC[NH+]1CCCC1)C(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F ZINC000189788630 823494732 /nfs/dbraw/zinc/49/47/32/823494732.db2.gz HBXOLXPBLYSYIG-MRXNPFEDSA-N 1 0 393.400 4.086 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@H]1c1cccc(OC)c1)CC(C)C ZINC000059296988 823490206 /nfs/dbraw/zinc/49/02/06/823490206.db2.gz ZDQRBKGNWOIIGM-CTNGQTDRSA-N 1 0 375.557 4.298 20 0 GIADRO C[NH+](C)CCOc1ccc(CNC(=O)c2ccc(CCC(F)(F)F)cc2)cc1 ZINC000123284241 823490408 /nfs/dbraw/zinc/49/04/08/823490408.db2.gz VCODVVTVTYXMQK-UHFFFAOYSA-N 1 0 394.437 4.052 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@H](C)C(=O)NC2CCC(C)CC2)ccc1OC(C)C ZINC000030492473 820622612 /nfs/dbraw/zinc/62/26/12/820622612.db2.gz DVMVDHNWLLXUFU-DHADLLTHSA-N 1 0 376.541 4.216 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2)cc1Br ZINC000030509631 820627110 /nfs/dbraw/zinc/62/71/10/820627110.db2.gz XNDYHGZCNXEYSR-QWHCGFSZSA-N 1 0 377.282 4.136 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2)cc1Br ZINC000030509623 820627204 /nfs/dbraw/zinc/62/72/04/820627204.db2.gz XNDYHGZCNXEYSR-OLZOCXBDSA-N 1 0 377.282 4.136 20 0 GIADRO C[C@H](NC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)c1ccc(Br)cc1 ZINC000573428123 823492164 /nfs/dbraw/zinc/49/21/64/823492164.db2.gz XGNRFTCNECBUET-NSHDSACASA-N 1 0 392.272 4.117 20 0 GIADRO COc1ccc(C([NH2+]C[C@@H](O)c2ccc(F)cc2)c2ccc(OC)cc2)cc1 ZINC000030536268 820634868 /nfs/dbraw/zinc/63/48/68/820634868.db2.gz FQKLWSQKOQLVHV-JOCHJYFZSA-N 1 0 381.447 4.256 20 0 GIADRO COc1ccc2ccccc2c1CN(C(=O)N[C@H]1CC[C@@H](C[NH3+])C1)C1CCCC1 ZINC000573429793 823492313 /nfs/dbraw/zinc/49/23/13/823492313.db2.gz AAFOWEJKWDZWDP-MJGOQNOKSA-N 1 0 395.547 4.430 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)Cn1c2ccccc2c2ccccc21)c1ccc2c(c1)OCO2 ZINC000030535688 820634910 /nfs/dbraw/zinc/63/49/10/820634910.db2.gz UKVHRDQPZUCGDB-FUHWJXTLSA-N 1 0 388.467 4.235 20 0 GIADRO CC[N@H+](Cc1cc(=O)n2ccccc2n1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000123297229 823492341 /nfs/dbraw/zinc/49/23/41/823492341.db2.gz YOYMWXFRBRRLMD-CQSZACIVSA-N 1 0 375.394 4.296 20 0 GIADRO CCOc1ccc([C@H]([NH2+]C[C@H](O)COc2ccccc2F)c2ccccc2)cc1 ZINC000030537159 820635653 /nfs/dbraw/zinc/63/56/53/820635653.db2.gz VHDHBJUERWSBBA-GBXCKJPGSA-N 1 0 395.474 4.343 20 0 GIADRO COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]Cc2ccc(CO)c(F)c2)c1 ZINC000177565880 823492508 /nfs/dbraw/zinc/49/25/08/823492508.db2.gz DGSJNDNQFFVMNM-UHFFFAOYSA-N 1 0 397.494 4.235 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1cc2cc(OC)ccc2[nH]1 ZINC000189778522 823493023 /nfs/dbraw/zinc/49/30/23/823493023.db2.gz YODMLFVIDXEKTR-UHFFFAOYSA-N 1 0 381.476 4.149 20 0 GIADRO O=C(NCCc1csc(-c2ccccc2)n1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000177578006 823495222 /nfs/dbraw/zinc/49/52/22/823495222.db2.gz PIOZFZRCGSOMGL-SFHVURJKSA-N 1 0 383.561 4.123 20 0 GIADRO COc1ccc(C[NH2+]C[C@H](c2ccsc2)N(C)C)cc1OCc1cccnc1 ZINC000030630664 820653446 /nfs/dbraw/zinc/65/34/46/820653446.db2.gz VSGUXVAXKKQSCX-HXUWFJFHSA-N 1 0 397.544 4.123 20 0 GIADRO Cc1c(C[NH2+]Cc2ccc(Cn3cccn3)cc2)sc2nc(C)nc(C)c12 ZINC000030629984 820653695 /nfs/dbraw/zinc/65/36/95/820653695.db2.gz DSPZDHJLIDMMBN-UHFFFAOYSA-N 1 0 377.517 4.151 20 0 GIADRO c1ncn(Cc2ccc(C[NH2+]Cc3ccc(OCc4ccccc4)cc3)cc2)n1 ZINC000030634021 820654973 /nfs/dbraw/zinc/65/49/73/820654973.db2.gz ANAMXJVIYPPZNW-UHFFFAOYSA-N 1 0 384.483 4.195 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1cccc(NC(=O)C2CCCCC2)c1)c1ccsc1 ZINC000030636769 820655578 /nfs/dbraw/zinc/65/55/78/820655578.db2.gz LQJQMTDBTNAPNK-FQEVSTJZSA-N 1 0 399.560 4.300 20 0 GIADRO Clc1cccc(-c2ccc(C[NH2+]CCc3nnc4n3CCC4)o2)c1Cl ZINC000030657420 820659812 /nfs/dbraw/zinc/65/98/12/820659812.db2.gz NAMZZOUJYYHGDW-UHFFFAOYSA-N 1 0 377.275 4.123 20 0 GIADRO COc1cc(C[NH2+]CCc2cn3ccccc3n2)ccc1OCc1cccs1 ZINC000030661639 820660744 /nfs/dbraw/zinc/66/07/44/820660744.db2.gz BWOUIOIIJTZZOP-UHFFFAOYSA-N 1 0 393.512 4.316 20 0 GIADRO CC(C)C(=O)N1CCC([NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000030671275 820662688 /nfs/dbraw/zinc/66/26/88/820662688.db2.gz AUJCKPMIYJLMQY-UHFFFAOYSA-N 1 0 383.517 4.293 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cnn([C@@H](C)C2CC2)c1 ZINC000189798527 823496541 /nfs/dbraw/zinc/49/65/41/823496541.db2.gz IALUMYXFSDMKII-ICSRJNTNSA-N 1 0 395.551 4.230 20 0 GIADRO CO[C@@H]1CCCC[C@@H]1C(=O)N(c1cccc(SC)c1)C1CC[NH+](C)CC1 ZINC000410473166 823498031 /nfs/dbraw/zinc/49/80/31/823498031.db2.gz UZQUKNDNRGDBLN-VQTJNVASSA-N 1 0 376.566 4.041 20 0 GIADRO CSc1cccc(N(C(=O)c2ncccc2Cl)C2CC[NH+](C)CC2)c1 ZINC000410473467 823498259 /nfs/dbraw/zinc/49/82/59/823498259.db2.gz VSILLNYCYDULFU-UHFFFAOYSA-N 1 0 375.925 4.198 20 0 GIADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2ncoc2-c2ccccc2Cl)C1 ZINC000460731742 823498528 /nfs/dbraw/zinc/49/85/28/823498528.db2.gz NDHLIABXRANECG-HZPDHXFCSA-N 1 0 389.927 4.483 20 0 GIADRO Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+]Cc2ccnn2C)c1 ZINC000030906559 820705966 /nfs/dbraw/zinc/70/59/66/820705966.db2.gz LYKYTTIVWGKPKK-UHFFFAOYSA-N 1 0 375.451 4.010 20 0 GIADRO Cc1c(C[NH2+]C2CCN(CCc3ccccc3)CC2)sc2nc(C)nc(C)c12 ZINC000030909912 820707640 /nfs/dbraw/zinc/70/76/40/820707640.db2.gz DKGDZPMVKFBWEM-UHFFFAOYSA-N 1 0 394.588 4.413 20 0 GIADRO CC(C)(C)NC(=O)c1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000030942479 820710540 /nfs/dbraw/zinc/71/05/40/820710540.db2.gz ZAQFPIIWCQFXAO-IBGZPJMESA-N 1 0 393.531 4.066 20 0 GIADRO COc1ccc2cc(CNC(=O)NC[C@@H](c3cccs3)[NH+](C)C)ccc2c1 ZINC000030986149 820715806 /nfs/dbraw/zinc/71/58/06/820715806.db2.gz CYSYGXHDUVXUDD-IBGZPJMESA-N 1 0 383.517 4.012 20 0 GIADRO O=C(NC1CC[NH+](C2CC2)CC1)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000123391199 823504741 /nfs/dbraw/zinc/50/47/41/823504741.db2.gz BDCKKSXVISCBBT-UHFFFAOYSA-N 1 0 393.984 4.233 20 0 GIADRO O=C(N[C@H](c1ccccc1)C1CC1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000031149056 820754179 /nfs/dbraw/zinc/75/41/79/820754179.db2.gz ZOMUZYVQRRBQFH-HSZRJFAPSA-N 1 0 377.532 4.144 20 0 GIADRO COc1cccc([C@H](CNC(=O)c2oc3c(c2C)c(C)ccc3C)[NH+](C)C)c1 ZINC000060021764 823505178 /nfs/dbraw/zinc/50/51/78/823505178.db2.gz KFDYBDCYMNTZES-IBGZPJMESA-N 1 0 380.488 4.399 20 0 GIADRO O=C(NCCCSc1ccccc1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000031149454 820754610 /nfs/dbraw/zinc/75/46/10/820754610.db2.gz PTLATSZKCCAHPK-UHFFFAOYSA-N 1 0 397.588 4.175 20 0 GIADRO COc1ccc(OCc2nc(C[NH2+]CC[C@@](C)(O)c3ccccc3)cs2)cc1 ZINC000189846379 823505285 /nfs/dbraw/zinc/50/52/85/823505285.db2.gz VRQSSQWBTUHUAV-JOCHJYFZSA-N 1 0 398.528 4.118 20 0 GIADRO C[S@](=O)C[C@H]([NH2+]Cc1ccc(Br)c(Cl)c1)c1ccccc1 ZINC000189853937 823506321 /nfs/dbraw/zinc/50/63/21/823506321.db2.gz CVMQFZJHIPXRND-KKSFZXQISA-N 1 0 386.742 4.312 20 0 GIADRO CC(C)Oc1cccc(CNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000059852068 823500807 /nfs/dbraw/zinc/50/08/07/823500807.db2.gz DYXZCGGXEBIKBF-FQEVSTJZSA-N 1 0 385.508 4.093 20 0 GIADRO Cc1c(C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)[nH]c2c1C(=O)CCC2 ZINC000031201221 820767693 /nfs/dbraw/zinc/76/76/93/820767693.db2.gz GVJLJTAMJBHHAF-UHFFFAOYSA-N 1 0 393.531 4.004 20 0 GIADRO O=C(Cc1cccc2ccccc21)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000059885205 823501386 /nfs/dbraw/zinc/50/13/86/823501386.db2.gz RTCPUDDTSDQNGG-UHFFFAOYSA-N 1 0 376.475 4.302 20 0 GIADRO O=C(CC[N@@H+](Cc1ccco1)C[C@H]1CCCO1)Nc1cccc2ccccc21 ZINC000060038971 823505788 /nfs/dbraw/zinc/50/57/88/823505788.db2.gz DXQDLTBVFJUXRF-HXUWFJFHSA-N 1 0 378.472 4.443 20 0 GIADRO Cc1ccc(C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)cc1NC(=O)c1ccco1 ZINC000059890578 823501781 /nfs/dbraw/zinc/50/17/81/823501781.db2.gz RKTKIGAERKFMIQ-MWTRTKDXSA-N 1 0 397.519 4.081 20 0 GIADRO Cc1cc(NC(=O)C2CC[NH+](Cc3ccc(-c4ccc(C)cc4)o3)CC2)no1 ZINC000123400741 823505867 /nfs/dbraw/zinc/50/58/67/823505867.db2.gz IRTIIKWTCWILRU-UHFFFAOYSA-N 1 0 379.460 4.402 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@H](C[C@H](C)O)c1ccccc1)CC3 ZINC000123376353 823503155 /nfs/dbraw/zinc/50/31/55/823503155.db2.gz LOLNRNVPEJCXQM-YTQUADARSA-N 1 0 378.516 4.178 20 0 GIADRO COc1cnccc1[C@@H](C)NC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000189855388 823506511 /nfs/dbraw/zinc/50/65/11/823506511.db2.gz BWGPQCUUPGVCLZ-GOSISDBHSA-N 1 0 396.535 4.027 20 0 GIADRO CC(C)COC(=O)Nc1cccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000060065498 823506846 /nfs/dbraw/zinc/50/68/46/823506846.db2.gz GCNXOIGKNMBPFC-NRFANRHFSA-N 1 0 395.503 4.494 20 0 GIADRO CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)NCC[NH+]2CCCCCC2)c1 ZINC000460767112 823506855 /nfs/dbraw/zinc/50/68/55/823506855.db2.gz DUWRHSXWJKKFOB-UHFFFAOYSA-N 1 0 393.959 4.321 20 0 GIADRO C[C@@H]1C[C@H](N(C)Cc2ncc(-c3ccccc3Br)o2)CC[N@@H+]1C ZINC000123415704 823507172 /nfs/dbraw/zinc/50/71/72/823507172.db2.gz SGVLWXOYWJRFBS-ZIAGYGMSSA-N 1 0 378.314 4.019 20 0 GIADRO CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1[NH2+]Cc1nccn1CCCc1ccccc1 ZINC000123420041 823507310 /nfs/dbraw/zinc/50/73/10/823507310.db2.gz GWOJKHUBAYPCBJ-UXHICEINSA-N 1 0 398.551 4.051 20 0 GIADRO Cc1oc(-c2cccs2)nc1CC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000031543816 820823206 /nfs/dbraw/zinc/82/32/06/820823206.db2.gz NGUWTJYILXOHOB-GOSISDBHSA-N 1 0 395.528 4.035 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H](c1nc(C2CC2)no1)C(C)C)CC3 ZINC000123423515 823507829 /nfs/dbraw/zinc/50/78/29/823507829.db2.gz RZXQUVZFAAKXAJ-JLTOFOAXSA-N 1 0 380.492 4.281 20 0 GIADRO COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H](C)C[C@H](C)O)cc1 ZINC000123466067 823511902 /nfs/dbraw/zinc/51/19/02/823511902.db2.gz CCOUWSAGPOORQB-ROUUACIJSA-N 1 0 379.504 4.045 20 0 GIADRO C[C@@H](NC(=O)N1CCc2cc(Cl)ccc2C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000189867100 823508050 /nfs/dbraw/zinc/50/80/50/823508050.db2.gz YEXIPXJGOQYNLB-WBVHZDCISA-N 1 0 375.944 4.061 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1ccc2c(c1)CCCC(=O)N2 ZINC000031619385 820835003 /nfs/dbraw/zinc/83/50/03/820835003.db2.gz YRNSMTSKLUYSKR-UHFFFAOYSA-N 1 0 377.488 4.200 20 0 GIADRO COc1ccc(C(C)=O)cc1CC(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000031620889 820835473 /nfs/dbraw/zinc/83/54/73/820835473.db2.gz PTIXHIVMRQQAKZ-UHFFFAOYSA-N 1 0 380.488 4.065 20 0 GIADRO CCC1=C(C(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CCCO1 ZINC000189873565 823508650 /nfs/dbraw/zinc/50/86/50/823508650.db2.gz GCUZEODYZOQPQK-AUUYWEPGSA-N 1 0 380.891 4.063 20 0 GIADRO C[C@H](C1CC1)[N@H+](CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)C1CC1 ZINC000031654569 820839333 /nfs/dbraw/zinc/83/93/33/820839333.db2.gz WOJBOBMLLQAQKK-MRXNPFEDSA-N 1 0 377.488 4.140 20 0 GIADRO CC[C@H](C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1)c1ccc(F)cc1 ZINC000460775545 823508743 /nfs/dbraw/zinc/50/87/43/823508743.db2.gz SMZNESKFGZDUIE-VXKWHMMOSA-N 1 0 384.495 4.281 20 0 GIADRO NC(=O)c1ccc(C[NH2+][C@H](CC2CC2)c2cc(F)cc(Br)c2)cc1 ZINC000189902563 823512161 /nfs/dbraw/zinc/51/21/61/823512161.db2.gz UAJMEDAIQOBBSE-GOSISDBHSA-N 1 0 391.284 4.318 20 0 GIADRO Cc1ccc(-n2ncc(C(=O)NC[C@@H](C)[NH+]3CCC(C)CC3)c2C(C)C)cc1 ZINC000060156343 823510114 /nfs/dbraw/zinc/51/01/14/823510114.db2.gz FJAMODCKQIKIEA-LJQANCHMSA-N 1 0 382.552 4.154 20 0 GIADRO C[C@H](C/N=C/c1cc(Br)ccc1O)[N@@H+]1CCc2sccc2C1 ZINC000031854492 820868178 /nfs/dbraw/zinc/86/81/78/820868178.db2.gz KSYJXBBGJSYRCT-AINDZBIGSA-N 1 0 379.323 4.082 20 0 GIADRO O=C(CCc1c[nH]c2ccccc12)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000060159706 823510614 /nfs/dbraw/zinc/51/06/14/823510614.db2.gz JASMXQUDNJWFJA-FQEVSTJZSA-N 1 0 375.516 4.129 20 0 GIADRO CCN(C(=O)NCc1nc(C2CC2)cs1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000123456779 823510739 /nfs/dbraw/zinc/51/07/39/823510739.db2.gz VSAXVUQTKAUAFG-QFBILLFUSA-N 1 0 398.576 4.388 20 0 GIADRO CCN(C(=O)NCc1nc(C2CC2)cs1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000123457031 823510970 /nfs/dbraw/zinc/51/09/70/823510970.db2.gz VSAXVUQTKAUAFG-LPHOPBHVSA-N 1 0 398.576 4.388 20 0 GIADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)c1ccc2c3c(cccc31)CC2 ZINC000031958292 820879589 /nfs/dbraw/zinc/87/95/89/820879589.db2.gz BXQBMXVPTHCSGY-UHFFFAOYSA-N 1 0 380.557 4.030 20 0 GIADRO CCc1c(C(=O)NC[C@H](c2ccsc2)[NH+](CC)CC)cnn1-c1ccccc1 ZINC000031983883 820883291 /nfs/dbraw/zinc/88/32/91/820883291.db2.gz HPQDTWZOFXKPBF-OAQYLSRUSA-N 1 0 396.560 4.309 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)[C@H](C)Oc1ccccc1Cl)c1ccsc1 ZINC000031983827 820883474 /nfs/dbraw/zinc/88/34/74/820883474.db2.gz FQAHYUOPNFRJML-WMLDXEAASA-N 1 0 380.941 4.368 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)[C@H](C)Oc1ccccc1Cl)c1ccsc1 ZINC000031983823 820883515 /nfs/dbraw/zinc/88/35/15/820883515.db2.gz FQAHYUOPNFRJML-YOEHRIQHSA-N 1 0 380.941 4.368 20 0 GIADRO CCn1cc(C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)c2ccccc21 ZINC000177671769 823511488 /nfs/dbraw/zinc/51/14/88/823511488.db2.gz KKLPUKSWXMXRFH-UHFFFAOYSA-N 1 0 391.515 4.118 20 0 GIADRO CSCCC(=O)Nc1ccc(C[NH+]2CCN(c3cccc(C)c3)CC2)cc1 ZINC000032018609 820888583 /nfs/dbraw/zinc/88/85/83/820888583.db2.gz XJNGXYUHBRITIZ-UHFFFAOYSA-N 1 0 383.561 4.009 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)c1ccccc1Br)c1cccc(-n2ccnc2)c1 ZINC000189911321 823512850 /nfs/dbraw/zinc/51/28/50/823512850.db2.gz LHWQNSJQXLENRU-LIRRHRJNSA-N 1 0 386.293 4.019 20 0 GIADRO CCOC(=O)c1csc(CC[NH2+][C@H](C)c2ccc(OC(F)(F)F)cc2)n1 ZINC000189913987 823513155 /nfs/dbraw/zinc/51/31/55/823513155.db2.gz KRJZZMNVXDLLAJ-LLVKDONJSA-N 1 0 388.411 4.112 20 0 GIADRO C[NH+](C)C1(CNC(=O)c2ncoc2-c2ccccc2Cl)CCCCCC1 ZINC000460791892 823513492 /nfs/dbraw/zinc/51/34/92/823513492.db2.gz LBXIQNMFFNIDMS-UHFFFAOYSA-N 1 0 375.900 4.379 20 0 GIADRO Cc1ccc(CNC(=O)C2CC[NH+]([C@H]3CCc4ccc(F)cc43)CC2)cc1F ZINC000177686605 823513576 /nfs/dbraw/zinc/51/35/76/823513576.db2.gz YHQPFUNFFJFUES-QFIPXVFZSA-N 1 0 384.470 4.289 20 0 GIADRO CC(=O)Nc1cccc(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1C ZINC000189918490 823513597 /nfs/dbraw/zinc/51/35/97/823513597.db2.gz ZMLZOYQPLWWUFR-UHFFFAOYSA-N 1 0 399.922 4.001 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)CCCSc2ccc(Br)cc2)CC[N@@H+]1C ZINC000123488394 823513927 /nfs/dbraw/zinc/51/39/27/823513927.db2.gz RHZCKXSQPAMQJJ-HOCLYGCPSA-N 1 0 399.398 4.263 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)CCn1cnc2ccccc21)c1ccccc1Cl ZINC000032314414 820913552 /nfs/dbraw/zinc/91/35/52/820913552.db2.gz VPZPCOAKGQYFJT-OAQYLSRUSA-N 1 0 398.938 4.279 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Cc1ccc(OC)c(F)c1)c1ccccc1Cl ZINC000032316860 820914009 /nfs/dbraw/zinc/91/40/09/820914009.db2.gz YLJKCUCNFSIDSL-LJQANCHMSA-N 1 0 392.902 4.230 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)CCc1ccccc1OC)c1ccccc1Cl ZINC000032316279 820914081 /nfs/dbraw/zinc/91/40/81/820914081.db2.gz JLKLUAUYVXIGBQ-HXUWFJFHSA-N 1 0 388.939 4.481 20 0 GIADRO COc1cc(C[NH2+]C[C@@H](C)CO)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000123499598 823514912 /nfs/dbraw/zinc/51/49/12/823514912.db2.gz FDMUYUZMRWSLIR-CQSZACIVSA-N 1 0 383.410 4.011 20 0 GIADRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)CNc1ccccc1Cl ZINC000060332018 823516064 /nfs/dbraw/zinc/51/60/64/823516064.db2.gz KHWGIHSLTHLMDF-UHFFFAOYSA-N 1 0 389.952 4.248 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNS(=O)(=O)c1ccc2ccccc2c1 ZINC000032441282 820943420 /nfs/dbraw/zinc/94/34/20/820943420.db2.gz WMKMIGSHKWCKKC-UHFFFAOYSA-N 1 0 382.529 4.159 20 0 GIADRO Cc1sc(NC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)nc1-c1c[nH]c2ncccc12 ZINC000123516147 823516359 /nfs/dbraw/zinc/51/63/59/823516359.db2.gz QXMCSTSUJQDSON-FRRDWIJNSA-N 1 0 383.521 4.195 20 0 GIADRO CC[C@@H](CNC(=O)/C=C/c1ccc2ccccc2n1)[N@@H+]1CCc2ccccc2C1 ZINC000032446253 820945610 /nfs/dbraw/zinc/94/56/10/820945610.db2.gz ADDXFKPPMHFWPJ-ZVQQDINOSA-N 1 0 385.511 4.201 20 0 GIADRO Cc1oc(-c2ccccc2)nc1CC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000032464246 820949949 /nfs/dbraw/zinc/94/99/49/820949949.db2.gz JQBIRDXKFJWTAS-UHFFFAOYSA-N 1 0 389.499 4.105 20 0 GIADRO O=C(Nc1ccc(Cl)cc1-n1cccn1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000189946193 823516871 /nfs/dbraw/zinc/51/68/71/823516871.db2.gz FHOKVNVVZRCXSO-KXBFYZLASA-N 1 0 399.926 4.006 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)CCCc1ncc(-c2ccccc2)o1)c1cccc(F)c1 ZINC000032483717 820956943 /nfs/dbraw/zinc/95/69/43/820956943.db2.gz QBNSKDNFLZGEIF-HXUWFJFHSA-N 1 0 395.478 4.223 20 0 GIADRO CSc1ccccc1NC(=O)CC[N@H+](C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000177723624 823517067 /nfs/dbraw/zinc/51/70/67/823517067.db2.gz OTEXOIXPMGQTCD-QWXGXRTQSA-N 1 0 390.574 4.168 20 0 GIADRO CSc1ccccc1NC(=O)CC[N@H+](C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000177723638 823517100 /nfs/dbraw/zinc/51/71/00/823517100.db2.gz OTEXOIXPMGQTCD-PVPMGCCUSA-N 1 0 390.574 4.168 20 0 GIADRO Cc1cc(C)n(-c2ccccc2C[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)n1 ZINC000123535679 823518704 /nfs/dbraw/zinc/51/87/04/823518704.db2.gz DIYYDGHMTOIHBK-SFHVURJKSA-N 1 0 390.487 4.297 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)c1ccc(OCC(F)(F)F)cc1 ZINC000177738980 823518783 /nfs/dbraw/zinc/51/87/83/823518783.db2.gz QTHFUDOJRQLVRI-AWEZNQCLSA-N 1 0 380.410 4.180 20 0 GIADRO Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCCC(=O)Nc1ccc(Cl)cc1 ZINC000123541137 823519321 /nfs/dbraw/zinc/51/93/21/823519321.db2.gz HTQDZCYVZQANGE-MRXNPFEDSA-N 1 0 387.911 4.374 20 0 GIADRO Cc1csc(SCc2ccc(C(=O)N[C@H](C)C[NH+]3CCCCC3)cc2)n1 ZINC000032662467 820986201 /nfs/dbraw/zinc/98/62/01/820986201.db2.gz SXZCYTFFCLWJTF-OAHLLOKOSA-N 1 0 389.590 4.348 20 0 GIADRO CS[C@@H](C)C(=O)Nc1ccc(C[NH+]2CCN(c3cccc(C)c3)CC2)cc1 ZINC000032666834 820986278 /nfs/dbraw/zinc/98/62/78/820986278.db2.gz QTNWGIMTRUURJP-SFHVURJKSA-N 1 0 383.561 4.007 20 0 GIADRO CCN(Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC000189997314 823523704 /nfs/dbraw/zinc/52/37/04/823523704.db2.gz KIULZNVWKRAXOR-UHFFFAOYSA-N 1 0 394.519 4.471 20 0 GIADRO COc1cc(Br)ccc1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccccc1C ZINC000189976867 823520348 /nfs/dbraw/zinc/52/03/48/823520348.db2.gz GLVQCTOGQLEHQR-KGLIPLIRSA-N 1 0 391.309 4.444 20 0 GIADRO Clc1cccc(OCCC[NH+]2CCC(c3nc(-c4ccccn4)no3)CC2)c1 ZINC000060367026 823520319 /nfs/dbraw/zinc/52/03/19/823520319.db2.gz QDCINQUPVFCDTQ-UHFFFAOYSA-N 1 0 398.894 4.434 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1cc2c(ccc3ccccc23)[nH]1)c1cccc(F)c1 ZINC000032731402 820998662 /nfs/dbraw/zinc/99/86/62/820998662.db2.gz OSTLHSINFAFJOT-JOCHJYFZSA-N 1 0 375.447 4.493 20 0 GIADRO CCCOc1c(Cl)cc(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)cc1OC ZINC000032730915 820998887 /nfs/dbraw/zinc/99/88/87/820998887.db2.gz YXRJPLRFTLZXJI-GJZGRUSLSA-N 1 0 382.932 4.130 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1ccc(SC(F)(F)F)cc1)c1cccc(F)c1 ZINC000032729550 820998900 /nfs/dbraw/zinc/99/89/00/820998900.db2.gz VTNVAEAJWAUQBF-MRXNPFEDSA-N 1 0 386.414 4.470 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)COc1ccccc1-c1ccccc1)c1cccc(F)c1 ZINC000032732331 820999738 /nfs/dbraw/zinc/99/97/38/820999738.db2.gz DKEFTWFOWDNWCW-JOCHJYFZSA-N 1 0 392.474 4.291 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)[C@@H](C)c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000460817349 823520722 /nfs/dbraw/zinc/52/07/22/823520722.db2.gz YSJGQVTZAJCFQT-OXJNMPFZSA-N 1 0 386.923 4.405 20 0 GIADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccc(F)cc1Br ZINC000032761783 821004274 /nfs/dbraw/zinc/00/42/74/821004274.db2.gz AQJKNJNJAOIYJU-OAHLLOKOSA-N 1 0 397.313 4.217 20 0 GIADRO O=C(CCSc1ccc(F)cc1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000032761415 821004780 /nfs/dbraw/zinc/00/47/80/821004780.db2.gz QLEQUUOBXBOJIH-QGZVFWFLSA-N 1 0 378.538 4.323 20 0 GIADRO Cc1c(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cnn1-c1ccccc1C ZINC000032763046 821005145 /nfs/dbraw/zinc/00/51/45/821005145.db2.gz ABJHGZABIBOLCK-HXUWFJFHSA-N 1 0 394.544 4.118 20 0 GIADRO Cc1sc(-c2ccco2)nc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000032762793 821005396 /nfs/dbraw/zinc/00/53/96/821005396.db2.gz IXJRFZMROGRYLB-AWEZNQCLSA-N 1 0 387.530 4.340 20 0 GIADRO Cc1ccc([C@H](CNC(=O)c2cnc(Cc3ccc(F)cc3)s2)[NH+](C)C)cc1 ZINC000060373714 823521122 /nfs/dbraw/zinc/52/11/22/823521122.db2.gz MGFOEEWSRNAAOY-IBGZPJMESA-N 1 0 397.519 4.214 20 0 GIADRO COCc1cc([C@H](C)[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)ccc1OC ZINC000177755340 823521199 /nfs/dbraw/zinc/52/11/99/823521199.db2.gz YSQUUXQQPUMQNR-HOTGVXAUSA-N 1 0 384.476 4.210 20 0 GIADRO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)Cc1coc2ccccc12 ZINC000189981789 823521335 /nfs/dbraw/zinc/52/13/35/823521335.db2.gz DCLDETNKJRJTEM-MRXNPFEDSA-N 1 0 384.501 4.166 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)c2sc(-c3ccc(F)cc3)nc2C)CC1 ZINC000060404521 823523989 /nfs/dbraw/zinc/52/39/89/823523989.db2.gz KDTSMMXJHUNXCX-UHFFFAOYSA-N 1 0 375.513 4.204 20 0 GIADRO CC1CC[NH+](Cc2ccc(CNC(=O)c3ccn(-c4ccccc4)n3)cc2)CC1 ZINC000033010047 821026098 /nfs/dbraw/zinc/02/60/98/821026098.db2.gz NNRGZVWJBVNRJJ-UHFFFAOYSA-N 1 0 388.515 4.034 20 0 GIADRO Cc1nc(Cc2ccccc2)sc1C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000033047475 821028362 /nfs/dbraw/zinc/02/83/62/821028362.db2.gz VQVCAJVAGUTOBP-KRWDZBQOSA-N 1 0 385.558 4.137 20 0 GIADRO CCCn1c(C)c(C(=O)NCc2cccc(C[NH+](C)C)c2)c2cc(OC)ccc21 ZINC000033085274 821031977 /nfs/dbraw/zinc/03/19/77/821031977.db2.gz XOVFZFXZWJBKQH-UHFFFAOYSA-N 1 0 393.531 4.360 20 0 GIADRO CC[NH2+]Cc1cccc(NC(=O)c2cccc(C(=O)N(C)CC(C)(C)C)c2)c1 ZINC000123576240 823523156 /nfs/dbraw/zinc/52/31/56/823523156.db2.gz BUUBCLDAJFNNTH-UHFFFAOYSA-N 1 0 381.520 4.167 20 0 GIADRO CCO[C@H]1C[C@](CO)([NH2+]CC(=O)Nc2c(C(C)C)cccc2C(C)C)C1(C)C ZINC000189995069 823523193 /nfs/dbraw/zinc/52/31/93/823523193.db2.gz OMZSYNZRFUIQFX-WMZHIEFXSA-N 1 0 390.568 4.028 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)/C=C/c2cc(Br)ccc2F)CC1 ZINC000060395231 823523319 /nfs/dbraw/zinc/52/33/19/823523319.db2.gz HVSYJSLELJSCMH-QPJJXVBHSA-N 1 0 397.332 4.180 20 0 GIADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2cc3c(s2)CCC3)CC1 ZINC000060439332 823527790 /nfs/dbraw/zinc/52/77/90/823527790.db2.gz SFLCLUFGAHZNEY-UHFFFAOYSA-N 1 0 389.952 4.284 20 0 GIADRO C[NH+]1CCN(c2ccccc2NC(=O)CCSc2ccccc2Cl)CC1 ZINC000060438321 823527799 /nfs/dbraw/zinc/52/77/99/823527799.db2.gz ZTZDRBIBQQECBN-UHFFFAOYSA-N 1 0 389.952 4.213 20 0 GIADRO C[NH+](C)C1(CNC(=O)CCCc2ncc(-c3ccccc3)o2)CCCCCC1 ZINC000033243200 821054385 /nfs/dbraw/zinc/05/43/85/821054385.db2.gz LWVPMGMOFCZMFC-UHFFFAOYSA-N 1 0 383.536 4.435 20 0 GIADRO COc1cc(C[NH2+][C@@H](c2ccccc2)[C@H](O)c2ccccc2)cc(OC)c1OC ZINC000034170871 821061508 /nfs/dbraw/zinc/06/15/08/821061508.db2.gz KLDAGZWGROZDEK-XZOQPEGZSA-N 1 0 393.483 4.277 20 0 GIADRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)c2c(F)c(F)cc(F)c2F)CC1 ZINC000177808085 823528515 /nfs/dbraw/zinc/52/85/15/823528515.db2.gz RMTRMNBVGHAKQT-UHFFFAOYSA-N 1 0 394.412 4.227 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccccc1N(C)Cc1ccccc1 ZINC000177809454 823528692 /nfs/dbraw/zinc/52/86/92/823528692.db2.gz QVVVEJVZJSHPCY-RTWAWAEBSA-N 1 0 392.547 4.414 20 0 GIADRO C[N@H+](CCCCCc1cc(-c2cccc(F)c2)no1)Cc1cn2cccnc2n1 ZINC000123642682 823528733 /nfs/dbraw/zinc/52/87/33/823528733.db2.gz URMHEBDXQVRXKH-UHFFFAOYSA-N 1 0 393.466 4.368 20 0 GIADRO COc1ccc2oc([C@@H](C)[NH2+]CCCS(=O)(=O)c3ccccc3)c(C)c2c1 ZINC000177811983 823529005 /nfs/dbraw/zinc/52/90/05/823529005.db2.gz SBUFFHHEKBLPIZ-MRXNPFEDSA-N 1 0 387.501 4.264 20 0 GIADRO CC[NH+](CC)CCC[C@H](C)NC(=O)Cc1csc(Cc2ccc(F)cc2)n1 ZINC000060453445 823529381 /nfs/dbraw/zinc/52/93/81/823529381.db2.gz MRPAQJRHWJQWGI-INIZCTEOSA-N 1 0 391.556 4.042 20 0 GIADRO O=C(NCc1sccc1Br)c1cccc(C[NH+]2CCCC2)c1 ZINC000060454218 823529414 /nfs/dbraw/zinc/52/94/14/823529414.db2.gz XJAUKLDSNSWAFR-UHFFFAOYSA-N 1 0 379.323 4.036 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCc2ccc(Cl)nc2)cc1 ZINC000123655392 823529485 /nfs/dbraw/zinc/52/94/85/823529485.db2.gz NQVWTHIMBGIDPP-MRXNPFEDSA-N 1 0 386.927 4.109 20 0 GIADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2Br)C1 ZINC000123654583 823529496 /nfs/dbraw/zinc/52/94/96/823529496.db2.gz VPAHHVLDOVDERB-NWDGAFQWSA-N 1 0 393.247 4.071 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Cc1ccc(Br)cc1)c1ccccc1 ZINC000036692869 821076146 /nfs/dbraw/zinc/07/61/46/821076146.db2.gz YNUWFINDFXBCKU-IBGZPJMESA-N 1 0 389.337 4.191 20 0 GIADRO CCCCOc1ccc(C(=O)N(C)C2CC[NH+](CCC)CC2)cc1OCC ZINC000060404755 823524349 /nfs/dbraw/zinc/52/43/49/823524349.db2.gz BNXFEKDIHVZBOG-UHFFFAOYSA-N 1 0 376.541 4.211 20 0 GIADRO C[C@@H]([NH2+]CCOc1cccc(S(C)(=O)=O)c1)c1cc(Cl)ccc1Cl ZINC000190003529 823524348 /nfs/dbraw/zinc/52/43/48/823524348.db2.gz FMOCJPCIOGCLCK-GFCCVEGCSA-N 1 0 388.316 4.127 20 0 GIADRO COc1cc(C)c([C@@H](C)[NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)cc1OC ZINC000177779135 823524878 /nfs/dbraw/zinc/52/48/78/823524878.db2.gz UIICICINHBTWAE-CXAGYDPISA-N 1 0 383.410 4.415 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)c1ccccc1C(F)(F)F)c1ccc(N2CCOC2=O)cc1 ZINC000177779160 823524905 /nfs/dbraw/zinc/52/49/05/823524905.db2.gz PZUMTPKIVNGIGB-UGSOOPFHSA-N 1 0 394.393 4.046 20 0 GIADRO COc1cc(C)c([C@H](C)[NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)cc1OC ZINC000177779146 823524995 /nfs/dbraw/zinc/52/49/95/823524995.db2.gz UIICICINHBTWAE-SUMWQHHRSA-N 1 0 383.410 4.415 20 0 GIADRO C/C=C/c1ccc(OCC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c(OC)c1 ZINC000036883698 821089232 /nfs/dbraw/zinc/08/92/32/821089232.db2.gz XLLBWOCUQANZMZ-IMRRZOKOSA-N 1 0 394.515 4.060 20 0 GIADRO COc1cccc([C@@H](CNC(=O)c2oc3ccc(F)cc3c2C)[NH+]2CCCC2)c1 ZINC000037123771 821089966 /nfs/dbraw/zinc/08/99/66/821089966.db2.gz CGOPSJRJSBKICL-HXUWFJFHSA-N 1 0 396.462 4.456 20 0 GIADRO COCc1ccccc1C[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000037762811 821093461 /nfs/dbraw/zinc/09/34/61/821093461.db2.gz AIVPQYTXWQYKBD-ZDUSSCGKSA-N 1 0 381.257 4.288 20 0 GIADRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1c(F)c(F)cc(F)c1F ZINC000177783037 823525744 /nfs/dbraw/zinc/52/57/44/823525744.db2.gz GXPHJUVBRUWIKN-UHFFFAOYSA-N 1 0 398.425 4.353 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2cc(-c3ccco3)on2)cc1 ZINC000060426050 823526049 /nfs/dbraw/zinc/52/60/49/823526049.db2.gz YHRUUBNADPAFPC-MRXNPFEDSA-N 1 0 379.460 4.239 20 0 GIADRO COc1cc2c(cc1OC)C[N@H+](Cc1ccccc1NCc1ccccn1)CC2 ZINC000123613688 823526029 /nfs/dbraw/zinc/52/60/29/823526029.db2.gz VQLUTEWABPRWFI-UHFFFAOYSA-N 1 0 389.499 4.269 20 0 GIADRO OCCN(Cc1ccc(-c2ccc(Br)cc2)o1)Cc1cccnc1 ZINC000177786778 823526219 /nfs/dbraw/zinc/52/62/19/823526219.db2.gz YAYLDCFTYNPPFC-UHFFFAOYSA-N 1 0 387.277 4.099 20 0 GIADRO CCN(C(=O)c1ccc(C(F)(F)F)nc1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000123615206 823526270 /nfs/dbraw/zinc/52/62/70/823526270.db2.gz SPGGJEZCPIXWRD-MAUKXSAKSA-N 1 0 391.437 4.398 20 0 GIADRO COc1cc2c(cc1OC)C[N@H+](Cc1ccccc1NCC1=CCCOC1)CC2 ZINC000123617856 823526406 /nfs/dbraw/zinc/52/64/06/823526406.db2.gz LNJXDVUYIWIHDM-UHFFFAOYSA-N 1 0 394.515 4.021 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)CC1 ZINC000039563852 821116082 /nfs/dbraw/zinc/11/60/82/821116082.db2.gz BSTLDOAINFZTFD-UHFFFAOYSA-N 1 0 393.531 4.131 20 0 GIADRO c1csc(-c2nn(-c3ccccc3)cc2C[NH2+]CCCOC[C@H]2CCOC2)c1 ZINC000123679368 823530955 /nfs/dbraw/zinc/53/09/55/823530955.db2.gz JHNISFGVXAWHEN-GOSISDBHSA-N 1 0 397.544 4.134 20 0 GIADRO CN(C)C(=O)c1cccc(C[N@H+](Cc2cccc(Br)c2)C2CC2)c1 ZINC000060468028 823531540 /nfs/dbraw/zinc/53/15/40/823531540.db2.gz FRQNBEKHVSROQH-UHFFFAOYSA-N 1 0 387.321 4.316 20 0 GIADRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCc1nc(-c2cc3ccccc3o2)cs1 ZINC000460882341 823535490 /nfs/dbraw/zinc/53/54/90/823535490.db2.gz MDUURVAEXVINJU-AWEZNQCLSA-N 1 0 386.521 4.084 20 0 GIADRO CC[C@H](C)[N@H+](CC(=O)Nc1ccc(C(=O)N(CC)CC)cc1)Cc1ccccc1 ZINC000060471450 823531709 /nfs/dbraw/zinc/53/17/09/823531709.db2.gz NKSWXOLSIFGKDH-IBGZPJMESA-N 1 0 395.547 4.408 20 0 GIADRO Cc1cccc(-c2nn(Cc3ccccc3)cc2C[N@@H+]2CC[C@H](O)[C@H](C)C2)c1 ZINC000190057303 823531829 /nfs/dbraw/zinc/53/18/29/823531829.db2.gz KVSRQSDCDYZPHR-XXBNENTESA-N 1 0 375.516 4.110 20 0 GIADRO Cc1ccc(-c2cnc(CCC(=O)NC[C@@H](c3ccc(C)cc3)[NH+](C)C)o2)cc1 ZINC000041021048 821168110 /nfs/dbraw/zinc/16/81/10/821168110.db2.gz UVPFYTCVBNNOFW-NRFANRHFSA-N 1 0 391.515 4.310 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)Cn2ccc(=O)c3ccccc32)cc1 ZINC000123712430 823534180 /nfs/dbraw/zinc/53/41/80/823534180.db2.gz SHECDVVLSJEXHK-SFHVURJKSA-N 1 0 389.499 4.015 20 0 GIADRO CCOC(C[N@@H+]1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1)OCC ZINC000123716103 823534589 /nfs/dbraw/zinc/53/45/89/823534589.db2.gz JFHUAEGEBMOTAG-HSZRJFAPSA-N 1 0 385.504 4.050 20 0 GIADRO CCC[NH+]1CCN(c2ccc(NC(=O)CSC(C)(C)C)c(OCC)c2)CC1 ZINC000190079619 823534971 /nfs/dbraw/zinc/53/49/71/823534971.db2.gz KSSISGAIALEVFG-UHFFFAOYSA-N 1 0 393.597 4.088 20 0 GIADRO O=C(CCOc1ccc(Cl)cc1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000060501793 823535272 /nfs/dbraw/zinc/53/52/72/823535272.db2.gz BBQNRRSUILTQGF-SFHVURJKSA-N 1 0 376.884 4.045 20 0 GIADRO Cc1c(Cl)cccc1NC(=O)C[NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000177851891 823536378 /nfs/dbraw/zinc/53/63/78/823536378.db2.gz ARZXHIWTGDWPBB-OAHLLOKOSA-N 1 0 385.895 4.065 20 0 GIADRO CCS(=O)(=O)N1CCC([NH2+][C@H](C)c2ccc(-c3ccccc3F)s2)CC1 ZINC000177855939 823536965 /nfs/dbraw/zinc/53/69/65/823536965.db2.gz UMVPPFDXWZNWRB-CQSZACIVSA-N 1 0 396.553 4.019 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)Cn1cccn1)c1ccc(Br)cc1Br ZINC000041650529 821215768 /nfs/dbraw/zinc/21/57/68/821215768.db2.gz KECMDRPAXCCQCN-WDEREUQCSA-N 1 0 387.119 4.147 20 0 GIADRO C[C@H](Cn1cccn1)[NH2+][C@@H](C)c1ccc(Br)cc1Br ZINC000041650523 821215853 /nfs/dbraw/zinc/21/58/53/821215853.db2.gz KECMDRPAXCCQCN-MNOVXSKESA-N 1 0 387.119 4.147 20 0 GIADRO C[C@@H]([NH2+]C[C@H]1CCCOC1)c1ccc(Br)cc1Br ZINC000041660283 821215869 /nfs/dbraw/zinc/21/58/69/821215869.db2.gz PECPTLDDTMAXOT-GHMZBOCLSA-N 1 0 377.120 4.289 20 0 GIADRO Cc1ccc(-c2nnco2)cc1NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000123748424 823537027 /nfs/dbraw/zinc/53/70/27/823537027.db2.gz DWYYKMSSVBDLSF-UHFFFAOYSA-N 1 0 397.523 4.165 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)Cc1cn2ccsc2n1)C1CCCCC1 ZINC000123753189 823537653 /nfs/dbraw/zinc/53/76/53/823537653.db2.gz HWSAWXUOZLYKSF-UHFFFAOYSA-N 1 0 382.533 4.342 20 0 GIADRO COc1cc([C@@H](C)[NH2+]Cc2ccc(Cl)s2)ccc1S(=O)(=O)C(F)F ZINC000177861735 823537941 /nfs/dbraw/zinc/53/79/41/823537941.db2.gz BPOWFFJHRVEVFU-SECBINFHSA-N 1 0 395.880 4.257 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)C2CCCCC2)C1)c1ccc(Br)s1 ZINC000123790243 823541055 /nfs/dbraw/zinc/54/10/55/823541055.db2.gz KLRAGRYPPUGUBK-TZMCWYRMSA-N 1 0 385.371 4.342 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2c(F)c(F)cc(F)c2F)CC1 ZINC000177863856 823538116 /nfs/dbraw/zinc/53/81/16/823538116.db2.gz UDHJKBZNSZISQL-GFCCVEGCSA-N 1 0 380.385 4.198 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)c2nc3ccccc3s2)CC[N@@H+]1Cc1ccccc1 ZINC000123790976 823541094 /nfs/dbraw/zinc/54/10/94/823541094.db2.gz IKRIOHZTGPUAIY-AEFFLSMTSA-N 1 0 379.529 4.421 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(OCC(F)(F)F)c(C)c1 ZINC000177864673 823538377 /nfs/dbraw/zinc/53/83/77/823538377.db2.gz CFAMPDCYJAMLGR-CVEARBPZSA-N 1 0 385.430 4.027 20 0 GIADRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(NC(=O)CC(C)C)c(C)c1 ZINC000460901003 823538434 /nfs/dbraw/zinc/53/84/34/823538434.db2.gz CNUCOQVLFCDYOF-FQEVSTJZSA-N 1 0 387.568 4.364 20 0 GIADRO CS(=O)(=O)c1cccc([C@H]([NH2+]CCc2ccccc2)c2ccc(F)cc2)c1 ZINC000123764987 823538663 /nfs/dbraw/zinc/53/86/63/823538663.db2.gz RWGUDVFNBMWRED-JOCHJYFZSA-N 1 0 383.488 4.151 20 0 GIADRO CO[C@@H](C[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccccc1 ZINC000060528266 823538728 /nfs/dbraw/zinc/53/87/28/823538728.db2.gz DILXWZPDBJTATG-SFHVURJKSA-N 1 0 375.394 4.368 20 0 GIADRO COc1ccc(C[NH2+]C[C@@H](OC)c2ccccc2)cc1OCc1cccnc1 ZINC000060528312 823538759 /nfs/dbraw/zinc/53/87/59/823538759.db2.gz MASPSJDVYIGNSJ-HSZRJFAPSA-N 1 0 378.472 4.147 20 0 GIADRO COc1ccc(C[NH2+]CC2(c3cccc(Br)c3)CCC2)cc1O ZINC000060528259 823538770 /nfs/dbraw/zinc/53/87/70/823538770.db2.gz IZRVMRZUKUHWFO-UHFFFAOYSA-N 1 0 376.294 4.375 20 0 GIADRO COc1ccc(C[NH2+]CC2(c3ccc(Br)cc3)CCC2)cc1O ZINC000060528222 823538775 /nfs/dbraw/zinc/53/87/75/823538775.db2.gz XASMUPMDDGSEND-UHFFFAOYSA-N 1 0 376.294 4.375 20 0 GIADRO C[C@H]([NH2+][C@H]1CCN(C(=O)C2CCCCC2)C1)c1ccc(Br)s1 ZINC000123790409 823541156 /nfs/dbraw/zinc/54/11/56/823541156.db2.gz KLRAGRYPPUGUBK-JSGCOSHPSA-N 1 0 385.371 4.342 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(C)C)C1 ZINC000177869822 823538927 /nfs/dbraw/zinc/53/89/27/823538927.db2.gz HGANTADBRIIGRP-MAUKXSAKSA-N 1 0 385.474 4.386 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)c1c(C)[nH]c2ccccc21)[NH+]1CCCC1 ZINC000041949677 821249303 /nfs/dbraw/zinc/24/93/03/821249303.db2.gz MEXJGUVVEJJSDZ-FQEVSTJZSA-N 1 0 377.488 4.052 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)c1cc(F)c(F)cc1Cl ZINC000060532885 823539207 /nfs/dbraw/zinc/53/92/07/823539207.db2.gz BZHOQIJCWLGTIJ-UHFFFAOYSA-N 1 0 396.865 4.269 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)Nc1ccc(OC(F)F)cc1 ZINC000123769150 823539271 /nfs/dbraw/zinc/53/92/71/823539271.db2.gz JGBZWGMJONDKRV-MRXNPFEDSA-N 1 0 379.407 4.230 20 0 GIADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1ccccc1SC1CCCC1 ZINC000190118348 823539660 /nfs/dbraw/zinc/53/96/60/823539660.db2.gz POQWVRMFOHRUME-INIZCTEOSA-N 1 0 391.581 4.030 20 0 GIADRO O=C(COc1ccccc1Br)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000123776477 823539889 /nfs/dbraw/zinc/53/98/89/823539889.db2.gz YUIDQDVTLGTQKO-UHFFFAOYSA-N 1 0 389.293 4.062 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1cc(Br)ccc1C)c1ccco1 ZINC000460907914 823540013 /nfs/dbraw/zinc/54/00/13/823540013.db2.gz FTRVBGJZJJVELV-MRXNPFEDSA-N 1 0 379.298 4.163 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCC[C@@H](C)c2cccc(C(F)(F)F)c2)C1 ZINC000177885894 823541315 /nfs/dbraw/zinc/54/13/15/823541315.db2.gz ROHVHBLOJSDMHL-CVEARBPZSA-N 1 0 385.474 4.182 20 0 GIADRO CCCCNC(=O)c1ccc(C[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)cc1 ZINC000177877881 823540200 /nfs/dbraw/zinc/54/02/00/823540200.db2.gz FUQCAMRTNBWKHF-GOSISDBHSA-N 1 0 393.531 4.194 20 0 GIADRO COc1ccc2c(c1)CCN2C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000060545076 823540427 /nfs/dbraw/zinc/54/04/27/823540427.db2.gz RFDKHHGMJROBQT-GOSISDBHSA-N 1 0 393.531 4.342 20 0 GIADRO CCCOc1ccc([C@@H](C)NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cc1OC ZINC000060546124 823540596 /nfs/dbraw/zinc/54/05/96/823540596.db2.gz MYNFEEVHPFOVLP-QGZVFWFLSA-N 1 0 391.556 4.061 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(F)c(F)cc3Cl)c(C)c2)CC1 ZINC000042158202 821276954 /nfs/dbraw/zinc/27/69/54/821276954.db2.gz QBYQZNYNUNURKP-UHFFFAOYSA-N 1 0 393.865 4.321 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(C)cc2Cl)c(OC)c1 ZINC000042184394 821280782 /nfs/dbraw/zinc/28/07/82/821280782.db2.gz TWDBCYQYFHDRCT-KBPBESRZSA-N 1 0 376.884 4.343 20 0 GIADRO CCNC(=O)COc1ccc(C[NH2+][C@H](CC)c2ccc(Cl)cc2)cc1OC ZINC000042205992 821283958 /nfs/dbraw/zinc/28/39/58/821283958.db2.gz IKIAZTJKGPCHRZ-GOSISDBHSA-N 1 0 390.911 4.104 20 0 GIADRO CN(C)c1ccc(C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)cn1 ZINC000042227721 821288317 /nfs/dbraw/zinc/28/83/17/821288317.db2.gz IZIUTSKIASIYKO-UHFFFAOYSA-N 1 0 397.526 4.349 20 0 GIADRO Cc1nn(Cc2ccccc2Cl)c(Cl)c1CNC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000042229146 821289054 /nfs/dbraw/zinc/28/90/54/821289054.db2.gz BQNAWUGYHCVBMV-HNNXBMFYSA-N 1 0 393.362 4.121 20 0 GIADRO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)C[N@@H+]1CCCC[C@H]1C ZINC000042288967 821295671 /nfs/dbraw/zinc/29/56/71/821295671.db2.gz YHNMJADCNVDENK-MOPGFXCFSA-N 1 0 393.531 4.333 20 0 GIADRO CC(C)N(C)C(=O)C1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000042293596 821296495 /nfs/dbraw/zinc/29/64/95/821296495.db2.gz BVCDFHKOLWHJIA-UHFFFAOYSA-N 1 0 394.559 4.371 20 0 GIADRO CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]2c2cccs2)c1 ZINC000042356087 821303918 /nfs/dbraw/zinc/30/39/18/821303918.db2.gz CWCYJXNIXJNZCE-QFBILLFUSA-N 1 0 399.560 4.394 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1)CC(C)C ZINC000042547345 821310247 /nfs/dbraw/zinc/31/02/47/821310247.db2.gz ZTMOIMATUCGIFS-LJQANCHMSA-N 1 0 399.535 4.327 20 0 GIADRO CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2ccccc2C[NH+](C)C)CC1=O ZINC000042752543 821330805 /nfs/dbraw/zinc/33/08/05/821330805.db2.gz ODQIKUICEBCOMQ-HKUYNNGSSA-N 1 0 393.531 4.253 20 0 GIADRO CC(C)(C)n1nc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1C1CC1 ZINC000042765404 821332278 /nfs/dbraw/zinc/33/22/78/821332278.db2.gz IPXIPLNSQYIWCV-OAQYLSRUSA-N 1 0 380.536 4.082 20 0 GIADRO COc1ccc(F)cc1[C@H](C)[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000042797220 821333587 /nfs/dbraw/zinc/33/35/87/821333587.db2.gz DZXBCJQDYBULRO-JTQLQIEISA-N 1 0 382.229 4.176 20 0 GIADRO COCc1c(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)sc2cccc(F)c21 ZINC000043085039 821359101 /nfs/dbraw/zinc/35/91/01/821359101.db2.gz PPQMVHGWALHYCT-KGLIPLIRSA-N 1 0 378.513 4.180 20 0 GIADRO CCCOc1c(Cl)cc(C(=O)N(C)C2CC[NH+](C(C)C)CC2)cc1OC ZINC000043114938 821362958 /nfs/dbraw/zinc/36/29/58/821362958.db2.gz FDHCVHACWSJGJW-UHFFFAOYSA-N 1 0 382.932 4.082 20 0 GIADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)Nc1ccccc1Br ZINC000043133600 821365100 /nfs/dbraw/zinc/36/51/00/821365100.db2.gz JBOKUGQCJFNLGC-HNNXBMFYSA-N 1 0 394.338 4.469 20 0 GIADRO O=C(Nc1ccc(Br)cc1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000043134091 821365760 /nfs/dbraw/zinc/36/57/60/821365760.db2.gz LIXUHKRLIORZMS-UHFFFAOYSA-N 1 0 388.309 4.189 20 0 GIADRO CC(C)Oc1ccc([C@H](C)NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1 ZINC000043143909 821367541 /nfs/dbraw/zinc/36/75/41/821367541.db2.gz ZVJYPIUXLKSCGF-YJBOKZPZSA-N 1 0 375.538 4.198 20 0 GIADRO COc1ccc([C@H](NC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)C(C)C)cc1 ZINC000043167500 821372063 /nfs/dbraw/zinc/37/20/63/821372063.db2.gz WONXXNFSTFHERD-TZIWHRDSSA-N 1 0 385.508 4.122 20 0 GIADRO CCCCOc1ccc([C@@H](C)NC(=O)NC2CC[NH+](C(C)C)CC2)cc1OC ZINC000043168194 821372781 /nfs/dbraw/zinc/37/27/81/821372781.db2.gz YVCMIURTDOZEMQ-QGZVFWFLSA-N 1 0 391.556 4.107 20 0 GIADRO Cc1ccc(-c2nnc([C@@H](C)[N@@H+]3CCC[C@H](c4nncn4C(C)C)C3)o2)cc1C ZINC000180629660 821374856 /nfs/dbraw/zinc/37/48/56/821374856.db2.gz NYPALLFECJFQJM-MJGOQNOKSA-N 1 0 394.523 4.466 20 0 GIADRO COC(=O)c1oc([C@H](C)[NH+]2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)cc1C ZINC000180631088 821375492 /nfs/dbraw/zinc/37/54/92/821375492.db2.gz GXVUJJCOXOLOCG-GJZGRUSLSA-N 1 0 394.512 4.061 20 0 GIADRO CC[NH+]1CCC(NC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000043187328 821376040 /nfs/dbraw/zinc/37/60/40/821376040.db2.gz BLWQWOGMYUZAAH-UHFFFAOYSA-N 1 0 383.336 4.330 20 0 GIADRO Cn1cc(N2CCC[C@@H]([NH2+]C(c3ccc(F)cc3)c3ccc(F)cc3)C2)cn1 ZINC000180636288 821377440 /nfs/dbraw/zinc/37/74/40/821377440.db2.gz MARSPYOEXSFVGM-HXUWFJFHSA-N 1 0 382.458 4.046 20 0 GIADRO CC[C@H]([NH2+]Cc1cc(=O)oc2cc(C)c(C)cc12)c1ccc2c(c1)OCCO2 ZINC000180636937 821377557 /nfs/dbraw/zinc/37/75/57/821377557.db2.gz BHAQTIRHLPPFBD-IBGZPJMESA-N 1 0 379.456 4.422 20 0 GIADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N1CCC[C@@H]1c1cccs1 ZINC000043231963 821378109 /nfs/dbraw/zinc/37/81/09/821378109.db2.gz TXPYGWBMCYETQI-HZPDHXFCSA-N 1 0 375.563 4.493 20 0 GIADRO C[C@H]1c2ccsc2CCN1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000043231428 821378295 /nfs/dbraw/zinc/37/82/95/821378295.db2.gz BNCXDJRGDOWPDO-GOEBONIOSA-N 1 0 375.563 4.275 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1cccc(C(C)=O)c1)c1cccc(OC)c1 ZINC000043238995 821379757 /nfs/dbraw/zinc/37/97/57/821379757.db2.gz UKUVISJFCAEYAG-NRFANRHFSA-N 1 0 383.492 4.102 20 0 GIADRO C[C@@H](c1nc2ccccc2s1)N(C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000043239369 821379777 /nfs/dbraw/zinc/37/97/77/821379777.db2.gz IMDAYUILRYZLGJ-FUHWJXTLSA-N 1 0 394.544 4.273 20 0 GIADRO C[C@@H](c1nc2ccccc2s1)N(C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000043239376 821379852 /nfs/dbraw/zinc/37/98/52/821379852.db2.gz IMDAYUILRYZLGJ-WMZOPIPTSA-N 1 0 394.544 4.273 20 0 GIADRO Cc1ccc(-c2ccc(C[N@H+]3CCC[C@H]([C@H](O)c4nccn4C)C3)s2)cc1 ZINC000180653981 821384158 /nfs/dbraw/zinc/38/41/58/821384158.db2.gz GYIWSFSNDUGAEV-RXVVDRJESA-N 1 0 381.545 4.403 20 0 GIADRO COc1cccc([C@H](CNC(=O)Nc2ccccc2SC)[NH+]2CCCC2)c1 ZINC000043319254 821391796 /nfs/dbraw/zinc/39/17/96/821391796.db2.gz BGFTXIPEYPDXQF-IBGZPJMESA-N 1 0 385.533 4.376 20 0 GIADRO C[C@@H]([NH2+]CC1(c2ccccc2Cl)CCOCC1)c1ccc([S@](C)=O)cc1 ZINC000180677504 821392317 /nfs/dbraw/zinc/39/23/17/821392317.db2.gz RLAZBVKRGAKKBK-DXPJPUQTSA-N 1 0 391.964 4.476 20 0 GIADRO Cc1ccc(NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)c(Br)c1 ZINC000043328484 821392506 /nfs/dbraw/zinc/39/25/06/821392506.db2.gz WQPVXYUKOSWNPF-AWEZNQCLSA-N 1 0 382.327 4.243 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1)c1nc(-c2ccccc2)cs1 ZINC000180685648 821394682 /nfs/dbraw/zinc/39/46/82/821394682.db2.gz QOHJJHMTGHSBQG-LSDHHAIUSA-N 1 0 376.489 4.198 20 0 GIADRO Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)c1C ZINC000180689775 821396058 /nfs/dbraw/zinc/39/60/58/821396058.db2.gz ASLUQNRLARQICO-IFXJQAMLSA-N 1 0 394.437 4.363 20 0 GIADRO COc1cc(CNC(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)ccn1 ZINC000043390959 821401216 /nfs/dbraw/zinc/40/12/16/821401216.db2.gz BCTDBHXYUUWQBA-UHFFFAOYSA-N 1 0 382.508 4.176 20 0 GIADRO O[C@@]1(C[NH2+][C@H](c2ccccc2)c2cc(Br)ccc2F)CCSC1 ZINC000180702813 821405037 /nfs/dbraw/zinc/40/50/37/821405037.db2.gz JKGMIPZIFMSZHZ-QZTJIDSGSA-N 1 0 396.325 4.135 20 0 GIADRO O[C@]1(C[NH2+][C@@H](c2ccccc2)c2ccc(Br)cc2F)CCSC1 ZINC000180703354 821405080 /nfs/dbraw/zinc/40/50/80/821405080.db2.gz JGRHNVPSQJPAPX-ROUUACIJSA-N 1 0 396.325 4.135 20 0 GIADRO O[C@]1(C[NH2+][C@@H](c2cccc(F)c2)c2cccc(Br)c2)CCSC1 ZINC000180703616 821405887 /nfs/dbraw/zinc/40/58/87/821405887.db2.gz SGVWNURRMGDTEX-MSOLQXFVSA-N 1 0 396.325 4.135 20 0 GIADRO CCOc1ccc(Oc2ccccc2NC(=O)NC2CC[NH+](CC)CC2)cc1 ZINC000043436337 821407040 /nfs/dbraw/zinc/40/70/40/821407040.db2.gz QAVBQINZEGMGHR-UHFFFAOYSA-N 1 0 383.492 4.483 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCCC1)Nc1ccc2c(c1)OCCCO2 ZINC000043494122 821417190 /nfs/dbraw/zinc/41/71/90/821417190.db2.gz MCVQDCOBSHTXLZ-UHFFFAOYSA-N 1 0 395.503 4.156 20 0 GIADRO C[C@H]([NH2+]CCCNC(=O)c1ccc(F)cc1)c1cccc(-c2ccncc2)c1 ZINC000180722414 821417588 /nfs/dbraw/zinc/41/75/88/821417588.db2.gz KBUGJSPQXDIHMU-KRWDZBQOSA-N 1 0 377.463 4.358 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)N(C)Cc3ccccc3C)c(C)c2)CC1 ZINC000043522994 821421920 /nfs/dbraw/zinc/42/19/20/821421920.db2.gz HEFHEJUVBQQLQO-UHFFFAOYSA-N 1 0 380.536 4.109 20 0 GIADRO C[C@H]([NH2+]CC1(N2CCCCC2)CCOCC1)[C@H](C)c1nc2ccccc2s1 ZINC000180738497 821426254 /nfs/dbraw/zinc/42/62/54/821426254.db2.gz LCXITEOTPCVEMB-ROUUACIJSA-N 1 0 387.593 4.413 20 0 GIADRO COc1ccc([C@H]([NH2+][C@@H]2CCN(c3ncccc3F)C2)c2ccccc2)cc1 ZINC000180747754 821431745 /nfs/dbraw/zinc/43/17/45/821431745.db2.gz DSPNBHWGCREEAJ-DENIHFKCSA-N 1 0 377.463 4.187 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1nc(C(F)(F)F)cs1 ZINC000043635139 821433742 /nfs/dbraw/zinc/43/37/42/821433742.db2.gz FVLHHFPGZQYDRN-UHFFFAOYSA-N 1 0 386.443 4.325 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)c2ccc(N3CCC(C)=N3)cc2)CC1 ZINC000180758249 821437873 /nfs/dbraw/zinc/43/78/73/821437873.db2.gz QXZKZTJLZYTMSK-UHFFFAOYSA-N 1 0 384.568 4.247 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)c2cccc(NC(=O)[C@@H]3C[C@H]3C)c2)CC1 ZINC000180758078 821437917 /nfs/dbraw/zinc/43/79/17/821437917.db2.gz NPXLQZJFWAFZAF-XMSQKQJNSA-N 1 0 399.579 4.255 20 0 GIADRO COc1ccc(C[N@@H+]2CCC[C@H]2CC(=O)c2ccc(F)cc2)c(OC)c1OC ZINC000180762240 821440842 /nfs/dbraw/zinc/44/08/42/821440842.db2.gz VASBONVZQBTRFK-SFHVURJKSA-N 1 0 387.451 4.089 20 0 GIADRO CC[NH+](CC)CCOc1ccc(NC(=O)Cc2coc(-c3ccccc3)n2)cc1 ZINC000043689903 821441869 /nfs/dbraw/zinc/44/18/69/821441869.db2.gz MDNKPVCHURNQTB-UHFFFAOYSA-N 1 0 393.487 4.243 20 0 GIADRO CC(C)C[C@@H](NC(=O)NC1CC[NH+](Cc2ccccn2)CC1)c1ccccc1 ZINC000043715788 821445501 /nfs/dbraw/zinc/44/55/01/821445501.db2.gz DXNSLYYRXNFLLU-JOCHJYFZSA-N 1 0 380.536 4.133 20 0 GIADRO COc1ccc([C@@H]([NH2+]C[C@@]2(CCO)CCOC2)c2ccc(Cl)cc2)cc1C ZINC000180776727 821450496 /nfs/dbraw/zinc/45/04/96/821450496.db2.gz JEKBPADGSJWCPK-FCHUYYIVSA-N 1 0 389.923 4.125 20 0 GIADRO CCc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3ccc(SC)c(OC)c3)C2)ncn1 ZINC000180778251 821451021 /nfs/dbraw/zinc/45/10/21/821451021.db2.gz OLGAXCLLJKBWJN-YJBOKZPZSA-N 1 0 386.565 4.089 20 0 GIADRO O=C(N[C@H](Cc1ccccc1)c1ccccc1)N1CCC([NH+]2CCCC2)CC1 ZINC000043783678 821457774 /nfs/dbraw/zinc/45/77/74/821457774.db2.gz DPYKUIOYVOBVLV-HSZRJFAPSA-N 1 0 377.532 4.240 20 0 GIADRO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CCNC(=O)c1c(F)cccc1F ZINC000180787880 821457916 /nfs/dbraw/zinc/45/79/16/821457916.db2.gz CEFNKSLLOXIYIM-OLZOCXBDSA-N 1 0 389.471 4.086 20 0 GIADRO C[C@@H](NC(=O)Nc1ccccc1N1CC[NH+](C)CC1)c1cc2ccccc2o1 ZINC000043800488 821460690 /nfs/dbraw/zinc/46/06/90/821460690.db2.gz QEXVFETYLAMISJ-MRXNPFEDSA-N 1 0 378.476 4.067 20 0 GIADRO C[NH+]1CCN(c2ccccc2NC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000043799743 821460798 /nfs/dbraw/zinc/46/07/98/821460798.db2.gz KLSKDERCLYEKOP-FQEVSTJZSA-N 1 0 398.938 4.461 20 0 GIADRO CCCc1cnc(NC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000180794399 821462114 /nfs/dbraw/zinc/46/21/14/821462114.db2.gz JIFWYOWVHPHPOY-UHFFFAOYSA-N 1 0 387.553 4.261 20 0 GIADRO FC(F)(F)c1ccn([C@@H]2CCC[N@H+](Cc3c[nH]nc3-c3ccccc3)C2)n1 ZINC000180801494 821466014 /nfs/dbraw/zinc/46/60/14/821466014.db2.gz FQYOLSQYBYCPDM-MRXNPFEDSA-N 1 0 375.398 4.129 20 0 GIADRO Cc1ncc(C[N@@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)n1-c1ccccc1 ZINC000180803158 821466708 /nfs/dbraw/zinc/46/67/08/821466708.db2.gz KSTUXLXZZLUVBH-QGZVFWFLSA-N 1 0 389.425 4.233 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CCCOc2cccc3cccnc32)cc1NC(C)=O ZINC000180803960 821467496 /nfs/dbraw/zinc/46/74/96/821467496.db2.gz ZOKMNVXTRZQUMN-INIZCTEOSA-N 1 0 393.487 4.322 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)Nc1ccccc1OC(F)(F)F ZINC000043879487 821483255 /nfs/dbraw/zinc/48/32/55/821483255.db2.gz YPLYJIOLXZOTGV-AWEZNQCLSA-N 1 0 383.370 4.137 20 0 GIADRO C[NH+](C)CCCC1CCN(C(=O)Nc2ccc(F)cc2OCC(F)F)CC1 ZINC000180830826 821485341 /nfs/dbraw/zinc/48/53/41/821485341.db2.gz WYVYPHFZKWYMGK-UHFFFAOYSA-N 1 0 387.446 4.055 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)Nc1cc(C(F)(F)F)ccc1F ZINC000180839712 821489309 /nfs/dbraw/zinc/48/93/09/821489309.db2.gz BSFHIUJXBHENAU-UHFFFAOYSA-N 1 0 396.388 4.278 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)N(C)Cc1cccc(OC)c1 ZINC000043993712 821499227 /nfs/dbraw/zinc/49/92/27/821499227.db2.gz NOYNKZHUSOMFQG-UHFFFAOYSA-N 1 0 385.508 4.080 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)N(C)Cc1ccccc1OC ZINC000043993391 821499285 /nfs/dbraw/zinc/49/92/85/821499285.db2.gz FWEZNJSSSQWDLM-UHFFFAOYSA-N 1 0 385.508 4.080 20 0 GIADRO C[C@H](O)[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)c(Br)c2)C1 ZINC000180868113 821503689 /nfs/dbraw/zinc/50/36/89/821503689.db2.gz LIIDZJZTJCDRLX-MAUKXSAKSA-N 1 0 390.321 4.231 20 0 GIADRO Cc1c(Br)cccc1C[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000180875687 821507429 /nfs/dbraw/zinc/50/74/29/821507429.db2.gz OJSYLFMIBCAILF-HNNXBMFYSA-N 1 0 375.314 4.064 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc(-c2ccncc2)cc1)C(=O)Nc1ccc(Cl)cn1 ZINC000180886632 821514485 /nfs/dbraw/zinc/51/44/85/821514485.db2.gz RNHNHQVETKLKSN-HUUCEWRRSA-N 1 0 380.879 4.475 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1)C(=O)NC(=O)Nc1ccccc1 ZINC000180894561 821520444 /nfs/dbraw/zinc/52/04/44/821520444.db2.gz KIGAVFCVHVWSGX-IRXDYDNUSA-N 1 0 388.471 4.136 20 0 GIADRO C[C@H]([NH2+]CC(=O)NCc1ccc(Cl)s1)c1ccc(-c2ccncc2)cc1 ZINC000180897471 821522476 /nfs/dbraw/zinc/52/24/76/821522476.db2.gz QMCZNBRIVQJXSP-AWEZNQCLSA-N 1 0 385.920 4.431 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)NCCc1cccs1)c1ccc(-c2ccncc2)cc1 ZINC000180899937 821524294 /nfs/dbraw/zinc/52/42/94/821524294.db2.gz MAMZJNNZQAEUTE-SJORKVTESA-N 1 0 379.529 4.208 20 0 GIADRO CC(C)n1nccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000180905498 821528345 /nfs/dbraw/zinc/52/83/45/821528345.db2.gz CYPRQKJNEWQNTC-IAGOWNOFSA-N 1 0 377.492 4.204 20 0 GIADRO Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000180912305 821532997 /nfs/dbraw/zinc/53/29/97/821532997.db2.gz LGCBFPZFLSAZEV-AWEZNQCLSA-N 1 0 394.302 4.267 20 0 GIADRO Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000180914670 821534671 /nfs/dbraw/zinc/53/46/71/821534671.db2.gz GQQBEHCOBBJNSV-ZDUSSCGKSA-N 1 0 382.291 4.123 20 0 GIADRO CC(C)(C)c1ccc(-c2ccc(C[NH2+][C@@H](CC(N)=O)C3CCOCC3)o2)cc1 ZINC000180915063 821534686 /nfs/dbraw/zinc/53/46/86/821534686.db2.gz XQWGUFSENRDJGY-FQEVSTJZSA-N 1 0 384.520 4.004 20 0 GIADRO CS(=O)(=O)C1CCC([NH2+][C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000180914590 821534767 /nfs/dbraw/zinc/53/47/67/821534767.db2.gz CYCDRANZMLEDTI-MHJFOBGBSA-N 1 0 377.937 4.375 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1)C(=O)NCCc1ccc(F)cc1 ZINC000180917321 821536648 /nfs/dbraw/zinc/53/66/48/821536648.db2.gz LJLLODLRZDZXNM-ZWKOTPCHSA-N 1 0 391.490 4.286 20 0 GIADRO FC(F)(F)Oc1ccc(NC(=S)N2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000044191021 821543368 /nfs/dbraw/zinc/54/33/68/821543368.db2.gz LPRLJBLCCCWHBD-UHFFFAOYSA-N 1 0 387.471 4.090 20 0 GIADRO COC(=O)c1ccc(C[NH2+][C@H](C)c2ccc(OCC(F)(F)F)cc2)c(F)c1 ZINC000180949365 821552475 /nfs/dbraw/zinc/55/24/75/821552475.db2.gz BXENMYVDCBFYGF-GFCCVEGCSA-N 1 0 385.357 4.404 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1cc(C(C)(C)C)no1)c1ccc(OCC(F)(F)F)cc1 ZINC000180964986 821560392 /nfs/dbraw/zinc/56/03/92/821560392.db2.gz GGHPTYFMYRUFFA-GFCCVEGCSA-N 1 0 399.413 4.203 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)Nc1ccc2nc(C3CC3)oc2c1 ZINC000180969018 821562613 /nfs/dbraw/zinc/56/26/13/821562613.db2.gz DLQJAEPMXKUSFY-UHFFFAOYSA-N 1 0 391.475 4.138 20 0 GIADRO COc1ccc(C(=O)N2CCC([NH2+][C@H](C)c3ccc(C)cc3C)CC2)cc1OC ZINC000180969537 821563359 /nfs/dbraw/zinc/56/33/59/821563359.db2.gz SKNJYPDKOYJGOZ-GOSISDBHSA-N 1 0 396.531 4.276 20 0 GIADRO C[NH+](C)CCN(Cc1ccccc1)C(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC000044309068 821566048 /nfs/dbraw/zinc/56/60/48/821566048.db2.gz OPUZXBOUFDYZDW-UHFFFAOYSA-N 1 0 378.476 4.301 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Nc1cccc(OCC(F)(F)F)c1)c1cccc(F)c1 ZINC000044310400 821566939 /nfs/dbraw/zinc/56/69/39/821566939.db2.gz DWNNAOYYEBRQMW-KRWDZBQOSA-N 1 0 399.388 4.191 20 0 GIADRO C[C@H]([NH2+]C[C@H]1CN(c2ccccc2)C(=O)O1)c1ccc(OCC(F)(F)F)cc1 ZINC000180975646 821567657 /nfs/dbraw/zinc/56/76/57/821567657.db2.gz SHZMLUIIBRDPHX-KSSFIOAISA-N 1 0 394.393 4.304 20 0 GIADRO CCn1c2ccccc2nc1[C@H](C)[NH2+][C@H](C)CC(=O)Nc1ccc(OC)cc1 ZINC000180993981 821581008 /nfs/dbraw/zinc/58/10/08/821581008.db2.gz XDTQQOWEKYZNAE-CVEARBPZSA-N 1 0 380.492 4.133 20 0 GIADRO OC1CC[NH+](Cc2ccccc2CNCc2ccc(Oc3ccccc3)o2)CC1 ZINC000180994976 821581820 /nfs/dbraw/zinc/58/18/20/821581820.db2.gz ZPDMIYBXKVHXHK-UHFFFAOYSA-N 1 0 392.499 4.318 20 0 GIADRO CCC(CC)n1nc(C)cc1C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000180996718 821582961 /nfs/dbraw/zinc/58/29/61/821582961.db2.gz AKBYFMCYQFUDSR-LJQANCHMSA-N 1 0 382.552 4.289 20 0 GIADRO Cc1ccccc1NC(=O)C[C@H](C)[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000181008548 821590429 /nfs/dbraw/zinc/59/04/29/821590429.db2.gz SQYZOBBRRJYAQT-INIZCTEOSA-N 1 0 380.517 4.063 20 0 GIADRO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CCc2nc(-c3ccccn3)cs2)c(C)c1 ZINC000181010855 821591622 /nfs/dbraw/zinc/59/16/22/821591622.db2.gz QGTVVVMVFBODPS-QGZVFWFLSA-N 1 0 394.544 4.371 20 0 GIADRO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NCc2ccc(Oc3ccccc3)o2)c1 ZINC000181016184 821595250 /nfs/dbraw/zinc/59/52/50/821595250.db2.gz AIOCRTIVSQUNAR-OAQYLSRUSA-N 1 0 391.471 4.134 20 0 GIADRO O[C@@H](C[NH2+][C@@H](c1cccc(Cl)c1)C1CCCCC1)COC1CCOCC1 ZINC000181024915 821599453 /nfs/dbraw/zinc/59/94/53/821599453.db2.gz IGVMSSOJZGVXTC-PZJWPPBQSA-N 1 0 381.944 4.108 20 0 GIADRO C[C@@H](C[NH2+][C@@H](c1cnn(C)c1)c1cccc(F)c1)c1nc(-c2ccccc2)no1 ZINC000181030653 821602810 /nfs/dbraw/zinc/60/28/10/821602810.db2.gz BXURIMYIXFYVEC-MGPUTAFESA-N 1 0 391.450 4.092 20 0 GIADRO O=C1C[C@@H](C[NH2+]Cc2ccc(Oc3ccccc3)o2)CN1Cc1ccccc1 ZINC000181040092 821607237 /nfs/dbraw/zinc/60/72/37/821607237.db2.gz DWRRUBNIHVNQLW-IBGZPJMESA-N 1 0 376.456 4.210 20 0 GIADRO Cc1c(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)oc2c1C(=O)CCC2 ZINC000044552654 821607624 /nfs/dbraw/zinc/60/76/24/821607624.db2.gz SWCAPQLQDUNSHQ-MRXNPFEDSA-N 1 0 394.515 4.411 20 0 GIADRO COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H](Cc2ccccc2)C2CC2)c(OC)c1 ZINC000181048871 821610464 /nfs/dbraw/zinc/61/04/64/821610464.db2.gz FPMVVFNWWSZFDF-IIBYNOLFSA-N 1 0 382.504 4.032 20 0 GIADRO CN(C(=O)c1ccc(-c2ccc(Br)s2)s1)C1CC[NH+](C)CC1 ZINC000181056516 821613605 /nfs/dbraw/zinc/61/36/05/821613605.db2.gz CVMQQLNBYYOSAB-UHFFFAOYSA-N 1 0 399.379 4.405 20 0 GIADRO CCCC(=O)Nc1ccc(CNC(=O)c2ccc(C[NH+](CC)CC)cc2)cc1 ZINC000044597257 821618287 /nfs/dbraw/zinc/61/82/87/821618287.db2.gz WXCFNVJGYRSEFO-UHFFFAOYSA-N 1 0 381.520 4.197 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C1(c2cccc(Cl)c2)CC1 ZINC000044601120 821619755 /nfs/dbraw/zinc/61/97/55/821619755.db2.gz JOTSNBKSTRCDOI-UHFFFAOYSA-N 1 0 383.923 4.071 20 0 GIADRO Cc1cc2ncc([C@H](C)[NH2+]C[C@@H](O)c3c(Cl)cccc3Cl)c(C)n2n1 ZINC000181107839 821637206 /nfs/dbraw/zinc/63/72/06/821637206.db2.gz YIYRPQRXPQESGD-MEDUHNTESA-N 1 0 379.291 4.037 20 0 GIADRO COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H](O)c2c(Cl)cccc2Cl)cc1 ZINC000181107710 821637279 /nfs/dbraw/zinc/63/72/79/821637279.db2.gz DKFBBPHJBFZPPT-YVEFUNNKSA-N 1 0 397.302 4.042 20 0 GIADRO C[C@@H]([NH2+]C1CCC(S(C)(=O)=O)CC1)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000181118242 821643601 /nfs/dbraw/zinc/64/36/01/821643601.db2.gz PVUSVPBFJYCVEC-HGWMRPEMSA-N 1 0 394.364 4.095 20 0 GIADRO C[C@H]([NH2+]C1CCC(S(C)(=O)=O)CC1)c1ccccc1OCc1ccccc1 ZINC000181119135 821644324 /nfs/dbraw/zinc/64/43/24/821644324.db2.gz FSXOGNBKMMYJFC-KKXNLOMOSA-N 1 0 387.545 4.272 20 0 GIADRO C[C@H]([NH2+]CCCOC1CCOCC1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000181129254 821650470 /nfs/dbraw/zinc/65/04/70/821650470.db2.gz GWCBWJPXIAQRPW-PXNSSMCTSA-N 1 0 395.515 4.010 20 0 GIADRO Cc1ccc(CNC(=O)C2CC[NH+]([C@H](C)c3nc4ccccc4o3)CC2)cc1 ZINC000181131304 821652113 /nfs/dbraw/zinc/65/21/13/821652113.db2.gz KPCMMGWNGKKOIH-QGZVFWFLSA-N 1 0 377.488 4.226 20 0 GIADRO OCC1CC[NH+](Cc2cccc(N[C@H](c3ccccc3)c3ccccn3)c2)CC1 ZINC000181134634 821654512 /nfs/dbraw/zinc/65/45/12/821654512.db2.gz LGGPTNZJDHOEEW-RUZDIDTESA-N 1 0 387.527 4.487 20 0 GIADRO Cc1ccc2[nH]c([C@@H]3CCC[N@H+](Cc4cc(F)cc5c4OCOC5)C3)nc2c1 ZINC000181149559 821664106 /nfs/dbraw/zinc/66/41/06/821664106.db2.gz SESAEBFLYOTVQI-OAHLLOKOSA-N 1 0 381.451 4.257 20 0 GIADRO C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3Cl)c(C(F)(F)F)c2)CC1 ZINC000044796635 821664431 /nfs/dbraw/zinc/66/44/31/821664431.db2.gz XHGQPHJIXVPODZ-UHFFFAOYSA-N 1 0 397.828 4.363 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc(OC(F)F)cc1)C(=O)Nc1ccc(N(C)C)cc1 ZINC000044802800 821665314 /nfs/dbraw/zinc/66/53/14/821665314.db2.gz WNZNFVHRHSRNTB-ZIAGYGMSSA-N 1 0 377.435 4.032 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccc(F)c(Cl)c1F ZINC000181155738 821668581 /nfs/dbraw/zinc/66/85/81/821668581.db2.gz AOWNNWRPPVQEIO-UHFFFAOYSA-N 1 0 382.813 4.152 20 0 GIADRO C[C@H](c1nc2ccccc2o1)[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000181157527 821669385 /nfs/dbraw/zinc/66/93/85/821669385.db2.gz YJLTXPYPDAKLFN-KGLIPLIRSA-N 1 0 384.867 4.288 20 0 GIADRO CSC1(C[NH2+][C@H]2CCCOc3c(Br)cccc32)CCOCC1 ZINC000181157842 821670456 /nfs/dbraw/zinc/67/04/56/821670456.db2.gz FVGAUZOTHYHATG-HNNXBMFYSA-N 1 0 386.355 4.165 20 0 GIADRO Cc1ccc2[nH]c([C@H]3CCC[N@@H+](Cc4cnn(C)c4C(F)(F)F)C3)nc2c1 ZINC000181163129 821673018 /nfs/dbraw/zinc/67/30/18/821673018.db2.gz XGDGOEKDFMELPY-ZDUSSCGKSA-N 1 0 377.414 4.003 20 0 GIADRO CC1CC[NH+](Cc2ccc(CNC(=O)COc3ccccc3Cl)cc2)CC1 ZINC000044876594 821675500 /nfs/dbraw/zinc/67/55/00/821675500.db2.gz NSVMDYAAZOETHZ-UHFFFAOYSA-N 1 0 386.923 4.267 20 0 GIADRO C[C@H](C[NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(F)c1)Oc1cccc(Cl)c1 ZINC000181174114 821678514 /nfs/dbraw/zinc/67/85/14/821678514.db2.gz ZDDYAGJGZQJOGE-CHWSQXEVSA-N 1 0 385.888 4.001 20 0 GIADRO Cc1cc(Br)ccc1C[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000181184410 821683504 /nfs/dbraw/zinc/68/35/04/821683504.db2.gz SFWLSUFAXNHTRA-HNNXBMFYSA-N 1 0 375.314 4.064 20 0 GIADRO Cc1cc(=O)oc2cc(OCC[NH2+][C@@H](C[C@H]3CCOC3)c3ccccc3)ccc12 ZINC000181190152 821686271 /nfs/dbraw/zinc/68/62/71/821686271.db2.gz TXTNMVUABYFLTR-GCJKJVERSA-N 1 0 393.483 4.238 20 0 GIADRO C[C@@H]([NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1)C1CCC1 ZINC000181194278 821689161 /nfs/dbraw/zinc/68/91/61/821689161.db2.gz FFTVYRVUENNBJF-ZUOKHONESA-N 1 0 379.472 4.236 20 0 GIADRO Cc1cc2ncc([C@H](C)[NH2+][C@@H](C)c3ccc(NC(=O)C4CC4)cc3)c(C)n2n1 ZINC000181193817 821689188 /nfs/dbraw/zinc/68/91/88/821689188.db2.gz GPTWLNINVPOYCD-GJZGRUSLSA-N 1 0 377.492 4.106 20 0 GIADRO C[C@H](CC1CC1)[NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000181194983 821689748 /nfs/dbraw/zinc/68/97/48/821689748.db2.gz TWDNSIVEIFNYIG-ZUOKHONESA-N 1 0 379.472 4.236 20 0 GIADRO C[C@@H](CC1CC1)[NH2+][C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000181194933 821689834 /nfs/dbraw/zinc/68/98/34/821689834.db2.gz TWDNSIVEIFNYIG-RBZFPXEDSA-N 1 0 379.472 4.236 20 0 GIADRO CC[C@@H]([NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1)c1cc(C)ccc1OC ZINC000181196983 821691213 /nfs/dbraw/zinc/69/12/13/821691213.db2.gz LZBLYCXCZGWNKU-JOCHJYFZSA-N 1 0 395.547 4.147 20 0 GIADRO CO[C@H](C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)c1ccc(F)cc1 ZINC000181202456 821694074 /nfs/dbraw/zinc/69/40/74/821694074.db2.gz VYVQHHJXYYKLFB-HXUWFJFHSA-N 1 0 390.886 4.061 20 0 GIADRO O=C(NCCC[NH2+][C@H]1CCCc2nc(-c3ccc(F)cc3)sc21)C1CCC1 ZINC000181229284 821708157 /nfs/dbraw/zinc/70/81/57/821708157.db2.gz GSEUCCZYXKEPGP-KRWDZBQOSA-N 1 0 387.524 4.223 20 0 GIADRO CCOc1ccc(C[N@H+](CCCn2ccnc2)Cc2ccnc(Cl)c2)cc1 ZINC000181233756 821710213 /nfs/dbraw/zinc/71/02/13/821710213.db2.gz BYMJVLFCIPGORK-UHFFFAOYSA-N 1 0 384.911 4.423 20 0 GIADRO C[S@](=O)c1ccc(C[NH2+][C@H]2CCCOc3ccc(Br)cc32)cc1 ZINC000181245496 821716581 /nfs/dbraw/zinc/71/65/81/821716581.db2.gz PGELWOCWGPACNG-SBUREZEXSA-N 1 0 394.334 4.190 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)c1 ZINC000181250023 821718135 /nfs/dbraw/zinc/71/81/35/821718135.db2.gz LSTBRQLWLQSKRS-CXAGYDPISA-N 1 0 375.875 4.367 20 0 GIADRO c1c(C[NH2+]CC[C@H]2CCCCO2)c(-c2cccnc2)nn1Cc1ccccc1 ZINC000181259880 821722139 /nfs/dbraw/zinc/72/21/39/821722139.db2.gz RGKVCUJSHOUXOQ-JOCHJYFZSA-N 1 0 376.504 4.042 20 0 GIADRO C[C@H]([NH2+]CCc1cccc(OC(F)(F)F)c1)c1ccc(N2CCOC2=O)cc1 ZINC000181271591 821726724 /nfs/dbraw/zinc/72/67/24/821726724.db2.gz LHDRLDNOFPJGOJ-AWEZNQCLSA-N 1 0 394.393 4.435 20 0 GIADRO COc1cccc([C@@H]2[C@H]([NH2+][C@H](C)c3ccc([S@](C)=O)cc3)CCN2C2CC2)c1 ZINC000181279781 821731536 /nfs/dbraw/zinc/73/15/36/821731536.db2.gz AQFYRDXDDQWSQC-MVZPZFMPSA-N 1 0 398.572 4.061 20 0 GIADRO COc1cccc([C@@H]2[C@H]([NH2+][C@H]3CCCc4nc(C)sc43)CCN2C2CC2)c1 ZINC000181282185 821733714 /nfs/dbraw/zinc/73/37/14/821733714.db2.gz HAJMUMUZDWYTMR-HLAWJBBLSA-N 1 0 383.561 4.405 20 0 GIADRO CC[C@H](C)c1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)cc1 ZINC000181282989 821733796 /nfs/dbraw/zinc/73/37/96/821733796.db2.gz OLOBHTZOFUFWLH-DLBZAZTESA-N 1 0 395.503 4.446 20 0 GIADRO C[C@H]([NH2+]CCC(=O)Nc1cc(N)ccc1F)c1ccc(-c2cccnc2)cc1 ZINC000181284887 821734942 /nfs/dbraw/zinc/73/49/42/821734942.db2.gz KKYDNRNDEQSBMZ-HNNXBMFYSA-N 1 0 378.451 4.149 20 0 GIADRO COc1ccccc1N1CC[C@@H]([NH2+][C@@H](C)c2cccc(-c3ccncc3)c2)C1=O ZINC000181288605 821737258 /nfs/dbraw/zinc/73/72/58/821737258.db2.gz SUHVRIRCOOSQFD-LAUBAEHRSA-N 1 0 387.483 4.213 20 0 GIADRO COCc1nc2n(n1)C[C@H]([NH2+][C@@H](CC(C)C)c1cccc(C(F)(F)F)c1)CC2 ZINC000181292748 821739206 /nfs/dbraw/zinc/73/92/06/821739206.db2.gz XJZWCICWWHXCIL-SJORKVTESA-N 1 0 396.457 4.135 20 0 GIADRO COCc1nc2n(n1)C[C@@H]([NH2+][C@@H](CCCc1ccccc1)c1ccccc1)CC2 ZINC000181296894 821741447 /nfs/dbraw/zinc/74/14/47/821741447.db2.gz BROHOUBFDRDSEJ-VXKWHMMOSA-N 1 0 390.531 4.093 20 0 GIADRO COCc1nc2n(n1)C[C@H]([NH2+][C@H](CCCc1ccccc1)c1ccccc1)CC2 ZINC000181296916 821741533 /nfs/dbraw/zinc/74/15/33/821741533.db2.gz BROHOUBFDRDSEJ-FGZHOGPDSA-N 1 0 390.531 4.093 20 0 GIADRO COCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(Cl)c(Cl)c1Cl)CC2 ZINC000181298169 821741993 /nfs/dbraw/zinc/74/19/93/821741993.db2.gz DVVBQZPTZPCNJN-ZJUUUORDSA-N 1 0 389.714 4.050 20 0 GIADRO COc1ccccc1N1CC[C@H]([NH2+][C@H](C)c2ccc(-c3cccnc3)cc2)C1=O ZINC000181298102 821742134 /nfs/dbraw/zinc/74/21/34/821742134.db2.gz JXIXEBNCHRXQPW-UTKZUKDTSA-N 1 0 387.483 4.213 20 0 GIADRO COCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(Oc3ccccc3)c(F)c1)CC2 ZINC000181301557 821744109 /nfs/dbraw/zinc/74/41/09/821744109.db2.gz SZTHKRBZZBVYAK-WBVHZDCISA-N 1 0 396.466 4.022 20 0 GIADRO Fc1ccc2oc(C[N@@H+]3CCC[C@@H](c4nc(-c5ccccc5)n[nH]4)C3)nc2c1 ZINC000181307598 821747203 /nfs/dbraw/zinc/74/72/03/821747203.db2.gz FQWKPIGVHANXJF-OAHLLOKOSA-N 1 0 377.423 4.132 20 0 GIADRO CCCCc1nnc(NC(=O)C[NH2+][C@@H](C)c2ccc(-c3cccnc3)cc2)s1 ZINC000181311724 821750471 /nfs/dbraw/zinc/75/04/71/821750471.db2.gz PNSJQMJOTGHUFG-HNNXBMFYSA-N 1 0 395.532 4.232 20 0 GIADRO CCCCc1nnc(NC(=O)C[NH2+][C@H](C)c2ccc(-c3cccnc3)cc2)s1 ZINC000181311741 821750657 /nfs/dbraw/zinc/75/06/57/821750657.db2.gz PNSJQMJOTGHUFG-OAHLLOKOSA-N 1 0 395.532 4.232 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(C(C)(C)C)cc1)c1cccc(N2CCOC2=O)c1 ZINC000181313377 821752012 /nfs/dbraw/zinc/75/20/12/821752012.db2.gz VUUWSOKSQKIEAW-MRXNPFEDSA-N 1 0 395.503 4.230 20 0 GIADRO Cc1cccc(NC(=O)C[C@H](C)[NH2+]CCOc2ccc(C(F)(F)F)cn2)c1C ZINC000181326192 821760199 /nfs/dbraw/zinc/76/01/99/821760199.db2.gz OGXQZMXCGZMFQI-AWEZNQCLSA-N 1 0 395.425 4.103 20 0 GIADRO COc1cccc2[nH]cc(CC[NH2+][C@H](C)CC(=O)Nc3ccc(C)cc3C)c21 ZINC000181336241 821767776 /nfs/dbraw/zinc/76/77/76/821767776.db2.gz SZDHIFRRTAJXLE-QGZVFWFLSA-N 1 0 379.504 4.343 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1Cl)c1ccc(N2CCCC2=O)cc1 ZINC000181361654 821787685 /nfs/dbraw/zinc/78/76/85/821787685.db2.gz NRWHHVXGBMGZID-CABCVRRESA-N 1 0 385.895 4.145 20 0 GIADRO Cc1ccc2c(C[NH2+][C@H](C)c3ccc(N4CCCC4=O)cc3)cc(=O)oc2c1 ZINC000181364119 821789016 /nfs/dbraw/zinc/78/90/16/821789016.db2.gz PMTCTKFJYHHSFM-MRXNPFEDSA-N 1 0 376.456 4.079 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+]C[C@H](c2cccs2)N2CCCC2)s1 ZINC000181366765 821790843 /nfs/dbraw/zinc/79/08/43/821790843.db2.gz RHZYTFJDAZGTMZ-GOEBONIOSA-N 1 0 379.595 4.190 20 0 GIADRO O=C(Nc1ccc(Br)c2ccccc12)NC1CC[NH+](C2CC2)CC1 ZINC000181366976 821791020 /nfs/dbraw/zinc/79/10/20/821791020.db2.gz GDMPGVIZSXJGQS-UHFFFAOYSA-N 1 0 388.309 4.351 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)s1 ZINC000181375365 821794272 /nfs/dbraw/zinc/79/42/72/821794272.db2.gz OBJUGCPFKZNQNK-KBPBESRZSA-N 1 0 387.549 4.401 20 0 GIADRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(F)cc1)c1ccc(-c2ccncc2)cc1 ZINC000181384089 821798043 /nfs/dbraw/zinc/79/80/43/821798043.db2.gz NKLFVZKWHFOQKO-INIZCTEOSA-N 1 0 384.476 4.012 20 0 GIADRO Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000181385639 821799271 /nfs/dbraw/zinc/79/92/71/821799271.db2.gz UPJXRGCSBZSDMM-JKSUJKDBSA-N 1 0 399.922 4.453 20 0 GIADRO COc1ccc([C@H](NC(=O)Nc2cccc(C[NH+](C)C)c2)C(F)(F)F)cc1 ZINC000181388622 821800491 /nfs/dbraw/zinc/80/04/91/821800491.db2.gz APFRSWLFISQLOD-KRWDZBQOSA-N 1 0 381.398 4.182 20 0 GIADRO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H](CO)c1cccc(Br)c1 ZINC000181393060 821803333 /nfs/dbraw/zinc/80/33/33/821803333.db2.gz GGHDPGYSGSQXIY-OALUTQOASA-N 1 0 376.294 4.158 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)s1 ZINC000181393487 821803857 /nfs/dbraw/zinc/80/38/57/821803857.db2.gz BTHULZLKRVWJBM-UONOGXRCSA-N 1 0 389.521 4.009 20 0 GIADRO COc1cc([C@@H](C)[NH2+]CC(=O)NCCc2ccccc2)ccc1SC(F)F ZINC000181395775 821805083 /nfs/dbraw/zinc/80/50/83/821805083.db2.gz SFKDHPKWDCKFAB-CQSZACIVSA-N 1 0 394.487 4.019 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+]CCOc2ccc(C(F)(F)F)cc2)s1 ZINC000181397374 821806486 /nfs/dbraw/zinc/80/64/86/821806486.db2.gz CYKPJCCCZIQAOT-GFCCVEGCSA-N 1 0 388.455 4.389 20 0 GIADRO COc1cc(C)c([C@H](C)[NH2+][C@H](CO)c2cccc(Br)c2)cc1OC ZINC000181400849 821807238 /nfs/dbraw/zinc/80/72/38/821807238.db2.gz GJLDRGQLCSOBGH-SUMWQHHRSA-N 1 0 394.309 4.159 20 0 GIADRO COc1ccc(C[C@H]([NH2+][C@@H](C)Cc2cc(C)n[nH]2)c2ccc(OC)cc2)cc1 ZINC000181424814 821820285 /nfs/dbraw/zinc/82/02/85/821820285.db2.gz MBHUVXXVNCOVMZ-HJPURHCSSA-N 1 0 379.504 4.240 20 0 GIADRO CSc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181430121 821823051 /nfs/dbraw/zinc/82/30/51/821823051.db2.gz MTYCEPKRKAKVTI-JKSUJKDBSA-N 1 0 397.544 4.213 20 0 GIADRO C[C@H](C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(Br)cc1 ZINC000181434989 821825794 /nfs/dbraw/zinc/82/57/94/821825794.db2.gz FHAUDXGQZZZCLZ-YQQAZPJKSA-N 1 0 393.369 4.322 20 0 GIADRO COCCC1(C[NH2+][C@@H](C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000181438392 821827047 /nfs/dbraw/zinc/82/70/47/821827047.db2.gz VPRLNFRRBJRFDH-LBPRGKRZSA-N 1 0 392.849 4.482 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@H]2CCO[C@]3(CCSC3)C2)cc1Br ZINC000181447357 821830411 /nfs/dbraw/zinc/83/04/11/821830411.db2.gz UDKYVEDFDFSQLT-RVSPLBMKSA-N 1 0 386.355 4.163 20 0 GIADRO Cc1ccc2c(C[NH2+][C@@H](C)c3cccc(N4CCCC4=O)c3)cc(=O)oc2c1C ZINC000181448798 821830922 /nfs/dbraw/zinc/83/09/22/821830922.db2.gz CRGUOEZHJOCXNB-KRWDZBQOSA-N 1 0 390.483 4.387 20 0 GIADRO C[C@@H](NC(=O)CSCc1ccc(Cl)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181449944 821831476 /nfs/dbraw/zinc/83/14/76/821831476.db2.gz HXDGCQQFXRPMRP-NVXWUHKLSA-N 1 0 380.985 4.342 20 0 GIADRO O=c1cc(C[NH2+][C@@H](CCCCc2ccccc2)c2ccccc2)[nH]c2ccnn21 ZINC000181454056 821832869 /nfs/dbraw/zinc/83/28/69/821832869.db2.gz NNQLTKNXNHUOCP-QFIPXVFZSA-N 1 0 386.499 4.267 20 0 GIADRO C[C@H](NC(=O)c1ccnc(OCc2ccccc2)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181460576 821836261 /nfs/dbraw/zinc/83/62/61/821836261.db2.gz BZDJSCOXMFJNBN-GHTZIAJQSA-N 1 0 393.531 4.043 20 0 GIADRO CCCOc1ccc(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1OCCC ZINC000181470468 821840787 /nfs/dbraw/zinc/84/07/87/821840787.db2.gz ITHWYXCPTFIYHU-GOSISDBHSA-N 1 0 389.540 4.214 20 0 GIADRO CCCOc1ccc(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1OCCC ZINC000181470482 821840863 /nfs/dbraw/zinc/84/08/63/821840863.db2.gz ITHWYXCPTFIYHU-SFHVURJKSA-N 1 0 389.540 4.214 20 0 GIADRO Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000181477999 821843818 /nfs/dbraw/zinc/84/38/18/821843818.db2.gz KZVHIMKNFSUMOO-NRFANRHFSA-N 1 0 394.519 4.051 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[NH2+][C@@H](c2ccccc2F)C2CCCC2)c1 ZINC000181492048 821851104 /nfs/dbraw/zinc/85/11/04/821851104.db2.gz FYHLLOHLOPPOLD-JOCHJYFZSA-N 1 0 386.467 4.303 20 0 GIADRO COc1ccc2cccc(CC(=O)N[C@@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)c2c1 ZINC000181505903 821857537 /nfs/dbraw/zinc/85/75/37/821857537.db2.gz TYKOXSRQMUIGFQ-FXAWDEMLSA-N 1 0 380.532 4.160 20 0 GIADRO Cc1cccc(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1Br ZINC000181506172 821858479 /nfs/dbraw/zinc/85/84/79/821858479.db2.gz JGUKRSKNSCNVDG-HUUCEWRRSA-N 1 0 379.342 4.140 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1cccc(O)c1 ZINC000181506910 821858638 /nfs/dbraw/zinc/85/86/38/821858638.db2.gz ARWMDTJNJUMNMR-AUUYWEPGSA-N 1 0 392.421 4.253 20 0 GIADRO Cc1nc(C2CCCC2)sc1C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181513048 821861825 /nfs/dbraw/zinc/86/18/25/821861825.db2.gz IJRZKNAKJNCFSB-RHSMWYFYSA-N 1 0 375.582 4.492 20 0 GIADRO C[C@@H](NC(=O)CCc1ccc(Br)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181521708 821865435 /nfs/dbraw/zinc/86/54/35/821865435.db2.gz SGXGIRHGDMJHQW-NVXWUHKLSA-N 1 0 393.369 4.151 20 0 GIADRO Cc1cc(C)n(-c2ccc(C(=O)N[C@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)cc2F)n1 ZINC000181530064 821867905 /nfs/dbraw/zinc/86/79/05/821867905.db2.gz ABTXQAVBPKWBGM-IEBWSBKVSA-N 1 0 398.526 4.011 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@@H](C)Cc2cc(C)nn2-c2ccccc2)cc1OC ZINC000181530220 821868597 /nfs/dbraw/zinc/86/85/97/821868597.db2.gz NWEYYQOJMCINEP-WMZOPIPTSA-N 1 0 379.504 4.480 20 0 GIADRO COC[C@H](Cc1ccccc1)[NH2+][C@@H](C)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000181536642 821871975 /nfs/dbraw/zinc/87/19/75/821871975.db2.gz LDHBNVPONQMPHP-NGYIFUPDSA-N 1 0 383.532 4.159 20 0 GIADRO COc1cc(NC(=O)C[NH2+][C@@H](C)[C@H](C)c2ccccc2)c(OC)cc1Cl ZINC000181536803 821872105 /nfs/dbraw/zinc/87/21/05/821872105.db2.gz XYOUJXMNYNWOGY-KBPBESRZSA-N 1 0 376.884 4.078 20 0 GIADRO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000181538113 821872493 /nfs/dbraw/zinc/87/24/93/821872493.db2.gz RFLBQVFWZKLEFP-MLGOLLRUSA-N 1 0 395.425 4.224 20 0 GIADRO CC1(C)[C@H]([NH2+]Cc2cccc(NC(=O)c3ccc(F)cc3)c2)[C@@H]2CCCO[C@@H]21 ZINC000181539408 821872831 /nfs/dbraw/zinc/87/28/31/821872831.db2.gz SDWRBOPDPSQJDM-HBMCJLEFSA-N 1 0 382.479 4.371 20 0 GIADRO CC1(C)[C@H]([NH2+]Cc2cccc(NC(=O)c3ccc(F)cc3)c2)[C@H]2CCCO[C@@H]21 ZINC000181539374 821872939 /nfs/dbraw/zinc/87/29/39/821872939.db2.gz SDWRBOPDPSQJDM-NJYVYQBISA-N 1 0 382.479 4.371 20 0 GIADRO C[C@H](NC(=O)c1ccc(Br)cc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181544935 821875207 /nfs/dbraw/zinc/87/52/07/821875207.db2.gz QDOAAJSFEGPNHZ-STQMWFEESA-N 1 0 399.760 4.485 20 0 GIADRO COc1ccccc1COC1CC[NH+](Cc2cnc(-c3ccccc3)[nH]2)CC1 ZINC000181552694 821878502 /nfs/dbraw/zinc/87/85/02/821878502.db2.gz SVURRAPVFGTTAK-UHFFFAOYSA-N 1 0 377.488 4.267 20 0 GIADRO C[C@@H]([NH2+]C[C@H](c1ccccc1)C(C)(C)CO)c1ncc(Br)s1 ZINC000181555768 821879789 /nfs/dbraw/zinc/87/97/89/821879789.db2.gz ULSXHEMGIZKAMH-TZMCWYRMSA-N 1 0 383.355 4.359 20 0 GIADRO COc1ccc([C@H](C)[NH2+]Cc2cn(C)nc2C(F)(F)F)cc1Br ZINC000181579361 821887261 /nfs/dbraw/zinc/88/72/61/821887261.db2.gz OCVQLPRWGJAUOU-VIFPVBQESA-N 1 0 392.219 4.061 20 0 GIADRO CC[C@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1cccc(Br)c1 ZINC000181584583 821890005 /nfs/dbraw/zinc/89/00/05/821890005.db2.gz ABWXQADVEPRUKX-ZDUSSCGKSA-N 1 0 376.220 4.442 20 0 GIADRO CC[C@H]([NH2+]C1CCN([C@@H](C)c2ccncc2)CC1)c1ccc2c(c1)OCCO2 ZINC000181590119 821893315 /nfs/dbraw/zinc/89/33/15/821893315.db2.gz HOVKYBQAHBHSPS-UWJYYQICSA-N 1 0 381.520 4.119 20 0 GIADRO C[C@@H]([NH2+]C1CCN([C@H](C)c2ccncc2)CC1)c1cccc(N2CCCC2=O)c1 ZINC000181590095 821893598 /nfs/dbraw/zinc/89/35/98/821893598.db2.gz LNRYBTSRDFAMPK-RTBURBONSA-N 1 0 392.547 4.085 20 0 GIADRO CCOc1cccc2cc([C@@H](C)[NH2+]CCCS(=O)(=O)c3ccccc3)oc21 ZINC000181593073 821894800 /nfs/dbraw/zinc/89/48/00/821894800.db2.gz FMTPXLLHZBSWAM-MRXNPFEDSA-N 1 0 387.501 4.346 20 0 GIADRO Cc1cc(NC(=O)C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2)n(C(C)(C)C)n1 ZINC000181609345 821901613 /nfs/dbraw/zinc/90/16/13/821901613.db2.gz KZPNTGLKODUUMK-CYBMUJFWSA-N 1 0 382.430 4.255 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(COC3CCOCC3)cc1)CCCO2 ZINC000181612821 821903997 /nfs/dbraw/zinc/90/39/97/821903997.db2.gz MTQOSNUQKDKPBK-HSZRJFAPSA-N 1 0 397.515 4.394 20 0 GIADRO COc1cc([C@H](C)[NH2+]CC2([C@H](O)c3ccccc3)CC2)ccc1OC(F)F ZINC000181645131 821920332 /nfs/dbraw/zinc/92/03/32/821920332.db2.gz WBFKXVMUHYRRAL-IFXJQAMLSA-N 1 0 377.431 4.461 20 0 GIADRO C[C@@H]([NH2+]CC1([C@H](O)c2ccccc2)CC1)c1ccc(OCc2nccn2C)cc1 ZINC000181646282 821920696 /nfs/dbraw/zinc/92/06/96/821920696.db2.gz VSBAANXTPDVSIP-WZONZLPQSA-N 1 0 391.515 4.164 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1nc(CN2CCCC2)cs1)c1cccc2ccccc21 ZINC000181650712 821922918 /nfs/dbraw/zinc/92/29/18/821922918.db2.gz TZIZNAVCSCUTFS-MRXNPFEDSA-N 1 0 394.544 4.181 20 0 GIADRO CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)c1ccc(SC)c(OC)c1 ZINC000181662214 821929892 /nfs/dbraw/zinc/92/98/92/821929892.db2.gz JJIVEJTXNJRUME-DOTOQJQBSA-N 1 0 393.574 4.320 20 0 GIADRO C[C@@H](NC(=O)c1cccc(Oc2ccncc2)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181663270 821930708 /nfs/dbraw/zinc/93/07/08/821930708.db2.gz YQCDAAKHJFPCDO-MJGOQNOKSA-N 1 0 379.504 4.257 20 0 GIADRO CC[C@H](CSc1ccccc1)[NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000181667199 821933633 /nfs/dbraw/zinc/93/36/33/821933633.db2.gz QIEOCVQHWRLATE-GDBMZVCRSA-N 1 0 381.538 4.451 20 0 GIADRO COc1ccc(-c2cncc(C(=O)N[C@@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)c2)cc1 ZINC000181670645 821935535 /nfs/dbraw/zinc/93/55/35/821935535.db2.gz BGVIHFJBVVCCHE-PKOBYXMFSA-N 1 0 393.531 4.140 20 0 GIADRO C[C@H](NC(=O)c1cnc(-c2ccccc2F)s1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181669896 821935694 /nfs/dbraw/zinc/93/56/94/821935694.db2.gz YLAWHFRWRPRQMJ-LSDHHAIUSA-N 1 0 387.524 4.332 20 0 GIADRO O=C1C[C@@H](c2ccccc2)N(Cc2nc(-c3c(F)cccc3F)cs2)CCN1 ZINC000181672349 821937117 /nfs/dbraw/zinc/93/71/17/821937117.db2.gz BIZSWIJNZQPRDJ-SFHVURJKSA-N 1 0 399.466 4.152 20 0 GIADRO CC(C)C(=O)NC[C@@H]1CCCN(Cc2nc(-c3c(F)cccc3F)cs2)C1 ZINC000181674275 821937796 /nfs/dbraw/zinc/93/77/96/821937796.db2.gz FBTOUUYHMGJJCH-AWEZNQCLSA-N 1 0 393.503 4.073 20 0 GIADRO Cc1c([C@@H](C)[NH2+][C@@H]2CCN(c3ccccn3)C2)cnn1-c1cccc(Cl)c1 ZINC000181698139 821948556 /nfs/dbraw/zinc/94/85/56/821948556.db2.gz QCBIOTAJFWXCSU-CRAIPNDOSA-N 1 0 381.911 4.159 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@@H]2CCN(c3ccccn3)C2)ccc1SC(F)F ZINC000181702524 821950641 /nfs/dbraw/zinc/95/06/41/821950641.db2.gz HUKPCJZQWUXLSG-UKRRQHHQSA-N 1 0 379.476 4.334 20 0 GIADRO c1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@@H]2CCN(c4ccccn4)C2)CCC3)cc1 ZINC000181704035 821951226 /nfs/dbraw/zinc/95/12/26/821951226.db2.gz TWMHTDXRZAXASO-MSOLQXFVSA-N 1 0 376.529 4.451 20 0 GIADRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000181708412 821953100 /nfs/dbraw/zinc/95/31/00/821953100.db2.gz NFGHNLVUNGQTHJ-BXWFABGCSA-N 1 0 387.911 4.210 20 0 GIADRO C[C@H]([NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000181709409 821953719 /nfs/dbraw/zinc/95/37/19/821953719.db2.gz GXNYQTGYDNEULZ-FTRWYGJKSA-N 1 0 391.508 4.048 20 0 GIADRO C[C@H]([NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000181709445 821953744 /nfs/dbraw/zinc/95/37/44/821953744.db2.gz GXNYQTGYDNEULZ-TWOQFEAHSA-N 1 0 391.508 4.048 20 0 GIADRO CC[C@@H]([NH2+]CC(=O)N[C@H](c1nccs1)c1ccccc1)c1ccc(C)cc1 ZINC000181711309 821955194 /nfs/dbraw/zinc/95/51/94/821955194.db2.gz ZVQZACACPAQKTH-CTNGQTDRSA-N 1 0 379.529 4.398 20 0 GIADRO C[C@H]([NH2+]CCOCc1ccc(Cl)cc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000181712264 821955881 /nfs/dbraw/zinc/95/58/81/821955881.db2.gz XAKSWOJNODYZLK-HNNXBMFYSA-N 1 0 387.911 4.491 20 0 GIADRO C[C@H]([NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)[C@@H]1COc2ccccc21 ZINC000181722692 821961303 /nfs/dbraw/zinc/96/13/03/821961303.db2.gz HXSMSPJGRFOFDZ-KXBFYZLASA-N 1 0 384.907 4.099 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+]CC2CCN(Cc3nc(C)c(C)o3)CC2)C1(CC)CC ZINC000181740354 821971573 /nfs/dbraw/zinc/97/15/73/821971573.db2.gz LIKDRLCIJXJHGR-VQTJNVASSA-N 1 0 377.573 4.077 20 0 GIADRO Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)N(CC[NH+](C)C)C(C)C ZINC000181746278 821973809 /nfs/dbraw/zinc/97/38/09/821973809.db2.gz PVMYOIXXJRONOG-UHFFFAOYSA-N 1 0 382.508 4.051 20 0 GIADRO CC[C@@H]([NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1)c1cccc(S(N)(=O)=O)c1 ZINC000181750812 821976578 /nfs/dbraw/zinc/97/65/78/821976578.db2.gz BAAKPYSNKDMNKH-APPDUMDISA-N 1 0 387.332 4.443 20 0 GIADRO CC[C@H]([NH2+][C@H](C)c1ccc(Cl)c(Cl)c1)c1cccc(S(N)(=O)=O)c1 ZINC000181750830 821976602 /nfs/dbraw/zinc/97/66/02/821976602.db2.gz BAAKPYSNKDMNKH-DIFFPNOSSA-N 1 0 387.332 4.443 20 0 GIADRO Fc1cccc(F)c1-n1ccc(C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)n1 ZINC000181765499 821982978 /nfs/dbraw/zinc/98/29/78/821982978.db2.gz OVXCUTXRXGPDNU-IIBYNOLFSA-N 1 0 383.442 4.408 20 0 GIADRO CC(C)Cn1cc(C[NH2+]CC2(c3cccc(C(F)(F)F)c3)CCOCC2)cn1 ZINC000181775936 821987551 /nfs/dbraw/zinc/98/75/51/821987551.db2.gz COWPPWYZZZMVRZ-UHFFFAOYSA-N 1 0 395.469 4.396 20 0 GIADRO CC(C)Cn1cc(C[NH2+]Cc2ccc(NC(=O)c3ccc(F)cc3)cc2)cn1 ZINC000181784980 821990623 /nfs/dbraw/zinc/99/06/23/821990623.db2.gz CABZJIVFRBGERM-UHFFFAOYSA-N 1 0 380.467 4.220 20 0 GIADRO CC[C@H]([NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(OC(F)F)cc1 ZINC000181814780 822003919 /nfs/dbraw/zinc/00/39/19/822003919.db2.gz LJHSMYUFVQHZDE-XLIONFOSSA-N 1 0 388.458 4.377 20 0 GIADRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(Sc2ncccn2)cc1C ZINC000181822564 822006685 /nfs/dbraw/zinc/00/66/85/822006685.db2.gz XEAZQACVEXJRTN-IAGOWNOFSA-N 1 0 397.548 4.027 20 0 GIADRO O=C1C[C@@H](C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)CN1Cc1ccccc1 ZINC000181826553 822008672 /nfs/dbraw/zinc/00/86/72/822008672.db2.gz NHJZCWOOOJWWNP-FPOVZHCZSA-N 1 0 376.500 4.071 20 0 GIADRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)C12CCC2 ZINC000181836831 822012627 /nfs/dbraw/zinc/01/26/27/822012627.db2.gz ZFYNNVUYIGIPJF-VSKRKVRLSA-N 1 0 399.556 4.117 20 0 GIADRO C[C@@](O)(Cc1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1)c1ccccc1 ZINC000181847810 822016351 /nfs/dbraw/zinc/01/63/51/822016351.db2.gz OGYGWEVNRKIUNV-HSZRJFAPSA-N 1 0 377.488 4.173 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N(Cc1ccccc1)C1CC1)c1cccc(N2CCCC2)c1 ZINC000181854698 822017443 /nfs/dbraw/zinc/01/74/43/822017443.db2.gz VSHIJNKXDJWPAG-LJQANCHMSA-N 1 0 377.532 4.129 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N(C)c1nc2ccccc2s1)c1cccc(N2CCCC2)c1 ZINC000181857429 822018061 /nfs/dbraw/zinc/01/80/61/822018061.db2.gz KLVGIESNQNUZDO-MRXNPFEDSA-N 1 0 394.544 4.210 20 0 GIADRO C[C@H]([NH2+]CC(=O)N(C)[C@@H](C)c1ccc(F)cc1)c1cccc(N2CCCC2)c1 ZINC000181859956 822018810 /nfs/dbraw/zinc/01/88/10/822018810.db2.gz ROPOBZLLIZGQAP-ROUUACIJSA-N 1 0 383.511 4.296 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H](C)c1cccc(N2CCCC2)c1 ZINC000181870263 822022118 /nfs/dbraw/zinc/02/21/18/822022118.db2.gz QHWMDUZDMBVZAF-HNNXBMFYSA-N 1 0 387.911 4.238 20 0 GIADRO Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@H](CC(C)C)c1cccc(C(F)(F)F)c1 ZINC000181872984 822022502 /nfs/dbraw/zinc/02/25/02/822022502.db2.gz RNQZEVNEQBHXTG-MRXNPFEDSA-N 1 0 382.430 4.361 20 0 GIADRO CC(C)C[C@H]([NH2+]CC(=O)NCc1cccnc1)c1cccc(C(F)(F)F)c1 ZINC000181873676 822022943 /nfs/dbraw/zinc/02/29/43/822022943.db2.gz RTAOLKJCSLUZIC-SFHVURJKSA-N 1 0 379.426 4.094 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1cccc2c1N=S=N2)c1cccc(N2CCCC2)c1 ZINC000181881791 822025328 /nfs/dbraw/zinc/02/53/28/822025328.db2.gz IWKBDBBSRVTLTD-CQSZACIVSA-N 1 0 381.505 4.303 20 0 GIADRO COc1cccc2cc([C@@H](C)[NH2+][C@@H]3CCN(C(=O)CCc4ccccc4)C3)oc21 ZINC000181890512 822028434 /nfs/dbraw/zinc/02/84/34/822028434.db2.gz DLUAJFFUKZKPHH-YLJYHZDGSA-N 1 0 392.499 4.326 20 0 GIADRO CC(C)Sc1ccccc1NC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000181898577 822030623 /nfs/dbraw/zinc/03/06/23/822030623.db2.gz DYAJRCPLPXLEJJ-LJQANCHMSA-N 1 0 399.560 4.075 20 0 GIADRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000181901942 822031462 /nfs/dbraw/zinc/03/14/62/822031462.db2.gz QGIURIGQBGCPJT-GFCCVEGCSA-N 1 0 397.353 4.091 20 0 GIADRO Cc1ccc(NC(=O)Cc2ccc(Br)cc2C)c(C[NH+](C)C)c1 ZINC000181904184 822032274 /nfs/dbraw/zinc/03/22/74/822032274.db2.gz KLXGNKAOFRAZDP-UHFFFAOYSA-N 1 0 375.310 4.309 20 0 GIADRO CCOc1cccc2cc([C@@H](C)[NH2+]CC(=O)N3CCc4sccc4C3)oc21 ZINC000181930616 822038646 /nfs/dbraw/zinc/03/86/46/822038646.db2.gz DLSVIPCIXUTQKA-CQSZACIVSA-N 1 0 384.501 4.129 20 0 GIADRO COc1ccc(C[C@H](C)C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)cc1OC ZINC000181933937 822039723 /nfs/dbraw/zinc/03/97/23/822039723.db2.gz KJNTVSPSEWSGKQ-ROUUACIJSA-N 1 0 398.547 4.128 20 0 GIADRO COc1cccc2cc([C@@H](C)[NH2+]CCCC(=O)N3Cc4ccccc4C3)oc21 ZINC000181949959 822043084 /nfs/dbraw/zinc/04/30/84/822043084.db2.gz CLGXDEXWEDLOOT-MRXNPFEDSA-N 1 0 378.472 4.415 20 0 GIADRO Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C(C)(C)C ZINC000181967065 822048131 /nfs/dbraw/zinc/04/81/31/822048131.db2.gz BKHQMCAIRZSUPX-KRWDZBQOSA-N 1 0 382.430 4.361 20 0 GIADRO CC(C)(C)[C@H]([NH2+]CC(=O)NCc1cccnc1)c1cccc(C(F)(F)F)c1 ZINC000181967803 822048532 /nfs/dbraw/zinc/04/85/32/822048532.db2.gz XJSLPDMNOYWJKL-GOSISDBHSA-N 1 0 379.426 4.094 20 0 GIADRO Cc1ccc(C[N@H+](CCO)CCC(=O)Nc2c(Cl)cccc2Cl)cc1 ZINC000181982697 822052885 /nfs/dbraw/zinc/05/28/85/822052885.db2.gz NLFBICRSWQMSQG-UHFFFAOYSA-N 1 0 381.303 4.125 20 0 GIADRO Clc1ccc(OCc2cccnc2)c(C[NH2+][C@@H]2CCN(c3ccccn3)C2)c1 ZINC000181993229 822056272 /nfs/dbraw/zinc/05/62/72/822056272.db2.gz BADIKYIUINCYOC-HXUWFJFHSA-N 1 0 394.906 4.078 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O)c1cc2c(ccc3ccccc23)o1 ZINC000181996003 822057278 /nfs/dbraw/zinc/05/72/78/822057278.db2.gz PDCIAKMVLVMDAR-BEFAXECRSA-N 1 0 388.471 4.166 20 0 GIADRO Fc1ccc2c(c1)OCCC[C@@H]2[NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000181998441 822058148 /nfs/dbraw/zinc/05/81/48/822058148.db2.gz FTAJGZWUUGVDDV-IBGZPJMESA-N 1 0 399.462 4.106 20 0 GIADRO O=C(Nc1cccc(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1)C1CCCCC1 ZINC000182011535 822061731 /nfs/dbraw/zinc/06/17/31/822061731.db2.gz BWHGKJUJSJLEHL-SFHVURJKSA-N 1 0 398.551 4.155 20 0 GIADRO C[C@H](Cc1ccccc1Cl)C(=O)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC000182063338 822078609 /nfs/dbraw/zinc/07/86/09/822078609.db2.gz MRDLFQACDDWGPU-MRXNPFEDSA-N 1 0 386.923 4.114 20 0 GIADRO C[C@@H](C(=O)Nc1ccccc1C[NH+]1CCC(O)CC1)c1ccc(Cl)s1 ZINC000182064427 822079119 /nfs/dbraw/zinc/07/91/19/822079119.db2.gz IXZGEQXTZHJEFH-CYBMUJFWSA-N 1 0 378.925 4.100 20 0 GIADRO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(SC(C)C)cc2)c(OC)c1 ZINC000182095371 822092279 /nfs/dbraw/zinc/09/22/79/822092279.db2.gz NASPMSRDAHNBRU-HNNXBMFYSA-N 1 0 388.533 4.494 20 0 GIADRO CC(C)Sc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cccc(C(=O)N(C)C)c2)cc1 ZINC000182101555 822094525 /nfs/dbraw/zinc/09/45/25/822094525.db2.gz IVOJAAOXFDVLFJ-MRXNPFEDSA-N 1 0 399.560 4.178 20 0 GIADRO CC(C)Sc1ccc([C@@H](C)[NH2+]Cc2cccc(S(=O)(=O)N(C)C)c2)cc1 ZINC000182104281 822095355 /nfs/dbraw/zinc/09/53/55/822095355.db2.gz KBLSFPPKHKLCAG-MRXNPFEDSA-N 1 0 392.590 4.288 20 0 GIADRO CC(C)Sc1ccc([C@@H](C)[NH2+]CCOc2cccc(S(C)(=O)=O)c2)cc1 ZINC000182107107 822096256 /nfs/dbraw/zinc/09/62/56/822096256.db2.gz IZUUDJVVXTXYRX-MRXNPFEDSA-N 1 0 393.574 4.320 20 0 GIADRO Cc1cccc([C@@H](NC(=O)NCC[C@H](C)[NH+]2CCCCC2)c2ccccn2)c1 ZINC000182111492 822098014 /nfs/dbraw/zinc/09/80/14/822098014.db2.gz MLJZOHTWBPLCFQ-SIKLNZKXSA-N 1 0 380.536 4.043 20 0 GIADRO COc1cc2[nH]c(CCC[NH2+][C@@H](C)c3ccc(NC(C)=O)cc3)cc2c(OC)c1 ZINC000182113809 822099084 /nfs/dbraw/zinc/09/90/84/822099084.db2.gz KNNONIWTYUHLBM-HNNXBMFYSA-N 1 0 395.503 4.427 20 0 GIADRO CC1(C(=O)Nc2nc(-c3cccnc3)cs2)CC[NH+](Cc2ccccc2)CC1 ZINC000182125344 822104883 /nfs/dbraw/zinc/10/48/83/822104883.db2.gz SXNXBPKUQHBIPS-UHFFFAOYSA-N 1 0 392.528 4.446 20 0 GIADRO C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1cnn(Cc2ccccc2)c1 ZINC000182154952 822120910 /nfs/dbraw/zinc/12/09/10/822120910.db2.gz FTUABTLNLAXWMD-UZQPLGKSSA-N 1 0 383.442 4.390 20 0 GIADRO COc1cc(C)c([C@H](C)[NH2+][C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)cc1OC ZINC000182155912 822121554 /nfs/dbraw/zinc/12/15/54/822121554.db2.gz PXTIDHMTLPMMOM-LTBCBRHQSA-N 1 0 377.431 4.471 20 0 GIADRO CC(=O)Nc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)cc1 ZINC000182174386 822131468 /nfs/dbraw/zinc/13/14/68/822131468.db2.gz UEPHUPZPJWYRJZ-CXAGYDPISA-N 1 0 375.875 4.367 20 0 GIADRO CC(=O)Nc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3ccc(Cl)c(F)c3)C2)cc1 ZINC000182174426 822132189 /nfs/dbraw/zinc/13/21/89/822132189.db2.gz UEPHUPZPJWYRJZ-DYVFJYSZSA-N 1 0 375.875 4.367 20 0 GIADRO Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCN(C(=O)CCc3ccccc3)C1)CCCO2 ZINC000182186533 822138201 /nfs/dbraw/zinc/13/82/01/822138201.db2.gz HKYOQDOEGLUVCL-UNMCSNQZSA-N 1 0 378.516 4.032 20 0 GIADRO CC(=O)Nc1ccc([C@@H](C)[NH2+][C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)cc1 ZINC000182223463 822154880 /nfs/dbraw/zinc/15/48/80/822154880.db2.gz HDVJCLDMDSVKFG-NEPJUHHUSA-N 1 0 382.430 4.432 20 0 GIADRO CCOC(=O)c1sc2[nH]c([C@H](C)[NH2+][C@H](C)c3ccc(C)cc3)nc(=O)c2c1C ZINC000182329895 822203977 /nfs/dbraw/zinc/20/39/77/822203977.db2.gz CKHXNEMROBJMTC-KGLIPLIRSA-N 1 0 399.516 4.190 20 0 GIADRO Cc1ccc([C@@H](C)[NH2+]CC(=O)NCc2cccc(COCc3ccco3)c2)cc1 ZINC000182329072 822204049 /nfs/dbraw/zinc/20/40/49/822204049.db2.gz PJXARMWKERFRTR-LJQANCHMSA-N 1 0 392.499 4.272 20 0 GIADRO COc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@@H](C)c2ccc(C)cc2)cc1OC ZINC000182351164 822211337 /nfs/dbraw/zinc/21/13/37/822211337.db2.gz BGVYAOKOSFMJTB-FXAWDEMLSA-N 1 0 382.504 4.027 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3cc(F)c(F)cc3Cl)cc2)CC1 ZINC000182354757 822212554 /nfs/dbraw/zinc/21/25/54/822212554.db2.gz AKPRRRVUGZATQS-UHFFFAOYSA-N 1 0 393.865 4.401 20 0 GIADRO Cc1ccc(SCC(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)cc1 ZINC000182364146 822216182 /nfs/dbraw/zinc/21/61/82/822216182.db2.gz DNTLDNLBWSYAJG-UHFFFAOYSA-N 1 0 383.561 4.256 20 0 GIADRO Cc1ccc(C)c(OCCC(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)c1 ZINC000182364091 822216215 /nfs/dbraw/zinc/21/62/15/822216215.db2.gz ZCJHCENVNPZZRX-UHFFFAOYSA-N 1 0 395.547 4.241 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3cnc(Cl)c(Cl)c3)cc2)CC1 ZINC000182364816 822216490 /nfs/dbraw/zinc/21/64/90/822216490.db2.gz UCNULGGXIWFBLQ-UHFFFAOYSA-N 1 0 393.318 4.171 20 0 GIADRO Cc1ccccc1OCCCC(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000182372236 822219289 /nfs/dbraw/zinc/21/92/89/822219289.db2.gz ZUMJWMBAQQGZEU-UHFFFAOYSA-N 1 0 395.547 4.323 20 0 GIADRO COc1ccc([C@H](NC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)C2CC2)cc1 ZINC000182380373 822222141 /nfs/dbraw/zinc/22/21/41/822222141.db2.gz JLONOYBHDRRLJR-XWFZLUIHSA-N 1 0 385.552 4.099 20 0 GIADRO COc1ccc2ccccc2c1CNC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182391520 822226497 /nfs/dbraw/zinc/22/64/97/822226497.db2.gz VEBKUUKNZKIDKI-IEBWSBKVSA-N 1 0 395.547 4.301 20 0 GIADRO COc1ccc([C@@H](CCO)[NH2+]Cc2cccc(C(=O)Nc3ccccc3)c2)cc1 ZINC000182400276 822230331 /nfs/dbraw/zinc/23/03/31/822230331.db2.gz HFBBYVAAOPWKAI-HSZRJFAPSA-N 1 0 390.483 4.161 20 0 GIADRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)c1 ZINC000182438524 822242808 /nfs/dbraw/zinc/24/28/08/822242808.db2.gz QJOCERYELQEKQC-MSOLQXFVSA-N 1 0 395.503 4.004 20 0 GIADRO C[C@@H](NCC1(C[NH2+][C@H](C)c2cccc(F)c2F)COC1)c1cccc(F)c1F ZINC000182444749 822245269 /nfs/dbraw/zinc/24/52/69/822245269.db2.gz NGLPEGRRZDMFHO-ZIAGYGMSSA-N 1 0 396.428 4.261 20 0 GIADRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cc(C)c(Cl)cc2OC)c1 ZINC000182452861 822247342 /nfs/dbraw/zinc/24/73/42/822247342.db2.gz IIBKILXOBMCFJK-OLZOCXBDSA-N 1 0 392.883 4.049 20 0 GIADRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)C(=O)Nc2c3ccccc3oc2C(C)=O)c1 ZINC000182453509 822247854 /nfs/dbraw/zinc/24/78/54/822247854.db2.gz FZBBGJYUUCRPCD-STQMWFEESA-N 1 0 396.443 4.027 20 0 GIADRO C[C@H](C[NH2+]C1CCC2(CC1)c1ccccc1NC2=O)COCc1ccccc1 ZINC000177952617 822255481 /nfs/dbraw/zinc/25/54/81/822255481.db2.gz IYXRILBIJLQWQV-NWKXHEKXSA-N 1 0 378.516 4.262 20 0 GIADRO O=S(=O)(CC[NH2+][C@H]1CC2(CCC2)Oc2ccccc21)c1ccc(Cl)cc1 ZINC000177969954 822262598 /nfs/dbraw/zinc/26/25/98/822262598.db2.gz YCBAXDHFMHJMHS-SFHVURJKSA-N 1 0 391.920 4.150 20 0 GIADRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(Cl)cc1)c1ccc(OC(F)F)cc1 ZINC000177970790 822262761 /nfs/dbraw/zinc/26/27/61/822262761.db2.gz SACRFERNNRYHTN-GFCCVEGCSA-N 1 0 389.851 4.066 20 0 GIADRO C[C@H]([NH2+]CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(-n2ccnc2)cc1 ZINC000177976887 822266895 /nfs/dbraw/zinc/26/68/95/822266895.db2.gz ISOCVWBHPPIDCI-ROUUACIJSA-N 1 0 384.524 4.170 20 0 GIADRO CCCOCc1ccccc1CNC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182499715 822269664 /nfs/dbraw/zinc/26/96/64/822269664.db2.gz MCWNXKSLOMKMCB-ICSRJNTNSA-N 1 0 387.568 4.065 20 0 GIADRO CCCOCc1ccccc1CNC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182499732 822269727 /nfs/dbraw/zinc/26/97/27/822269727.db2.gz MCWNXKSLOMKMCB-QUCCMNQESA-N 1 0 387.568 4.065 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000177987425 822270646 /nfs/dbraw/zinc/27/06/46/822270646.db2.gz JKUCIWBDSDMATC-UHOSZYNNSA-N 1 0 398.576 4.305 20 0 GIADRO CCC[C@@H]1C[C@@H](C(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)CCO1 ZINC000182502125 822271530 /nfs/dbraw/zinc/27/15/30/822271530.db2.gz DCFBQMDXMFIVPY-OTWHNJEPSA-N 1 0 378.582 4.233 20 0 GIADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)NC(c3ccc(F)cc3)c3ccc(F)cc3)CC[C@@H]21 ZINC000177990923 822272751 /nfs/dbraw/zinc/27/27/51/822272751.db2.gz WRXRBRGCIKMNKE-NQIIRXRSSA-N 1 0 399.485 4.180 20 0 GIADRO CC(=O)c1cccc(NC(=O)C[NH2+][C@@H](C)c2ccc(OC(F)(F)F)cc2)c1 ZINC000182513450 822276982 /nfs/dbraw/zinc/27/69/82/822276982.db2.gz YGPOWJVTJLIGRP-LBPRGKRZSA-N 1 0 380.366 4.077 20 0 GIADRO CC(=O)c1ccc(NC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1Cl ZINC000182514260 822277482 /nfs/dbraw/zinc/27/74/82/822277482.db2.gz KQITWEYFAHDIMD-SFHVURJKSA-N 1 0 399.922 4.229 20 0 GIADRO O[C@H](CCc1ccccc1)C[N@@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000182516579 822278217 /nfs/dbraw/zinc/27/82/17/822278217.db2.gz RWBBNOSMDUVGJU-PZJWPPBQSA-N 1 0 395.478 4.049 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)C1 ZINC000178008097 822279514 /nfs/dbraw/zinc/27/95/14/822279514.db2.gz DIXSIHWGZIKKHW-MRXNPFEDSA-N 1 0 378.476 4.300 20 0 GIADRO CCCN(Cc1ccc(C)cc1)C(=O)C[NH2+][C@H](C)c1cccc(NC(C)=O)c1 ZINC000182526749 822283819 /nfs/dbraw/zinc/28/38/19/822283819.db2.gz OCJNBASUCZKUIZ-GOSISDBHSA-N 1 0 381.520 4.043 20 0 GIADRO CC[C@H](NC(=O)C[NH2+][C@H](C)c1cccc(NC(C)=O)c1)c1ccc(Cl)cc1 ZINC000182528060 822284371 /nfs/dbraw/zinc/28/43/71/822284371.db2.gz AFLWZANCJDJYNX-VLIAUNLRSA-N 1 0 387.911 4.217 20 0 GIADRO COc1cc([C@H](C)[NH2+]CCNC(=O)c2ccccc2)ccc1SC(F)F ZINC000178023604 822287095 /nfs/dbraw/zinc/28/70/95/822287095.db2.gz RNZFKNWBIWXUGU-ZDUSSCGKSA-N 1 0 380.460 4.091 20 0 GIADRO CCN(c1ccc(NC(=O)C[NH2+][C@H](C)c2cccc(NC(C)=O)c2)cc1)C(C)C ZINC000182534860 822287817 /nfs/dbraw/zinc/28/78/17/822287817.db2.gz ATHFHGZWGHVJRS-QGZVFWFLSA-N 1 0 396.535 4.169 20 0 GIADRO COc1cc(C)c([C@@H](C)[NH2+][C@H](C)CC(=O)Nc2cccnc2Cl)cc1OC ZINC000178036136 822292916 /nfs/dbraw/zinc/29/29/16/822292916.db2.gz HAGIPGVTJIJQFG-ZIAGYGMSSA-N 1 0 391.899 4.129 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(COc3ccccc3)c2C)C1 ZINC000178045633 822297887 /nfs/dbraw/zinc/29/78/87/822297887.db2.gz YMEPHBYLFXYJFZ-IBGZPJMESA-N 1 0 381.520 4.380 20 0 GIADRO COc1cc(OC)c(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1Cl ZINC000182557315 822301160 /nfs/dbraw/zinc/30/11/60/822301160.db2.gz XKLBHEKQCSUUBF-UHFFFAOYSA-N 1 0 385.895 4.305 20 0 GIADRO C[C@H]([NH2+]CC(=O)NCCC(C)(C)C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000182558996 822301618 /nfs/dbraw/zinc/30/16/18/822301618.db2.gz VXBJPVAAZJRURR-KRWDZBQOSA-N 1 0 381.520 4.142 20 0 GIADRO C[C@H](NC(=O)N[C@@H]1CCc2c1cccc2Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182559057 822302037 /nfs/dbraw/zinc/30/20/37/822302037.db2.gz GVZQDNFMSGRVGW-BXTJHSDWSA-N 1 0 375.944 4.280 20 0 GIADRO CCN(CC)C(=O)CCC1CC[NH+](Cc2ncc(-c3ccc(F)cc3)o2)CC1 ZINC000182559510 822302244 /nfs/dbraw/zinc/30/22/44/822302244.db2.gz LSOOEYAEGOXQKA-UHFFFAOYSA-N 1 0 387.499 4.341 20 0 GIADRO COc1cc(C[N@@H+]2CCC[C@@H](CNC(=O)c3ccccc3)C2)ccc1SC ZINC000178053482 822302623 /nfs/dbraw/zinc/30/26/23/822302623.db2.gz FYQDMPJVTLVUQC-SFHVURJKSA-N 1 0 384.545 4.059 20 0 GIADRO CCc1ccc(-c2noc(C[NH+]3CCC(CCC(=O)N(CC)CC)CC3)n2)cc1 ZINC000182560623 822302804 /nfs/dbraw/zinc/30/28/04/822302804.db2.gz KZUGUXDEYFMYPW-UHFFFAOYSA-N 1 0 398.551 4.160 20 0 GIADRO CCN(CC)C(=O)CCC1CC[NH+]([C@H](C)c2nc(-c3ccccc3C)no2)CC1 ZINC000182562178 822303349 /nfs/dbraw/zinc/30/33/49/822303349.db2.gz UZNNTGDLSJSKAP-GOSISDBHSA-N 1 0 398.551 4.467 20 0 GIADRO C[C@@H](c1ccccc1F)[NH+]1CCC(OCCCNC(=O)OC(C)(C)C)CC1 ZINC000178065229 822306685 /nfs/dbraw/zinc/30/66/85/822306685.db2.gz AVMJFENFZYXNOT-INIZCTEOSA-N 1 0 380.504 4.283 20 0 GIADRO CCN(CC)C(=O)CCC1CC[NH+](CC(=O)Nc2ccccc2C(C)C)CC1 ZINC000182570154 822307318 /nfs/dbraw/zinc/30/73/18/822307318.db2.gz RUESKLRULHNGES-UHFFFAOYSA-N 1 0 387.568 4.109 20 0 GIADRO COc1cccc([C@@H](O)C[NH2+][C@@H](C)c2cnn(-c3cc(C)ccc3C)c2C)c1 ZINC000178082693 822312180 /nfs/dbraw/zinc/31/21/80/822312180.db2.gz QNTKBKPRRNQPPE-SBUREZEXSA-N 1 0 379.504 4.190 20 0 GIADRO COc1cccc([C@H](O)C[NH2+][C@@H](C)c2sc(Cc3ccccc3)nc2C)c1 ZINC000178085500 822313468 /nfs/dbraw/zinc/31/34/68/822313468.db2.gz VRYHBKQAANKQFQ-MGPUTAFESA-N 1 0 382.529 4.435 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@H](C)c2ccc(-n3cccn3)cc2)cc(OC)c1OC ZINC000178088022 822314262 /nfs/dbraw/zinc/31/42/62/822314262.db2.gz PDWSCCZBGOOFTO-CVEARBPZSA-N 1 0 381.476 4.310 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl)c1ccc(N2CCOC2=O)cc1 ZINC000178088123 822314452 /nfs/dbraw/zinc/31/44/52/822314452.db2.gz UOBYGDOEICNRSJ-KPZWWZAWSA-N 1 0 395.286 4.334 20 0 GIADRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc(OC)ccc1OC)c1cccc(Cl)c1 ZINC000182594852 822315979 /nfs/dbraw/zinc/31/59/79/822315979.db2.gz YQBPOBKRFYUYAX-SUMWQHHRSA-N 1 0 376.884 4.425 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+][C@@H](C)C(=O)NC1CCCC1 ZINC000178098235 822318526 /nfs/dbraw/zinc/31/85/26/822318526.db2.gz BPRBEJCWBJVWSK-OCCSQVGLSA-N 1 0 375.513 4.356 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1)c1ccc2c(c1)CCC(=O)N2 ZINC000178102594 822319905 /nfs/dbraw/zinc/31/99/05/822319905.db2.gz DGRVXIPYSYRTRU-HNNXBMFYSA-N 1 0 380.488 4.377 20 0 GIADRO C[C@H](NC(=O)N[C@@H](c1ccccc1)c1ccncc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182608672 822320699 /nfs/dbraw/zinc/32/06/99/822320699.db2.gz NWEPVGWSIMOUNT-ZEYPLWLESA-N 1 0 392.547 4.123 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)cnn1-c1ccc(F)cc1 ZINC000178105142 822321346 /nfs/dbraw/zinc/32/13/46/822321346.db2.gz MEOTXIRXQDXKCW-OACFQNQOSA-N 1 0 385.508 4.469 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@@H](c1cccc(F)c1)C(C)(C)C ZINC000178104534 822321586 /nfs/dbraw/zinc/32/15/86/822321586.db2.gz ICNPMZRVVWYZSF-FQEVSTJZSA-N 1 0 399.510 4.038 20 0 GIADRO Cc1nc(CSc2nnc([C@H](C)N(C)C)n2-c2ccc(F)cc2)sc1C ZINC000178108046 822322549 /nfs/dbraw/zinc/32/25/49/822322549.db2.gz LBAXDAFOMSNIMA-LBPRGKRZSA-N 1 0 391.541 4.395 20 0 GIADRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)Nc1ccc(-c2ncco2)cc1 ZINC000182617070 822324394 /nfs/dbraw/zinc/32/43/94/822324394.db2.gz SXKUPPPWXQOHCS-HXUWFJFHSA-N 1 0 376.460 4.300 20 0 GIADRO CC[C@H]([NH2+][C@@H](c1ccccc1)[C@@H]1CCCO1)c1ccccc1OCC(=O)N(C)C ZINC000178123542 822326398 /nfs/dbraw/zinc/32/63/98/822326398.db2.gz ZKUJAOJVZGPHBO-SSPYTLHUSA-N 1 0 396.531 4.115 20 0 GIADRO COc1cc(OC)c([C@@H](C)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1Cl ZINC000182627372 822328780 /nfs/dbraw/zinc/32/87/80/822328780.db2.gz LOYDEGKTBUHADT-OAHLLOKOSA-N 1 0 389.927 4.282 20 0 GIADRO Cc1cc(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)ccc1NC(=O)c1ccco1 ZINC000178146323 822332637 /nfs/dbraw/zinc/33/26/37/822332637.db2.gz PIHKYTHOEOCWMG-QGZVFWFLSA-N 1 0 395.503 4.433 20 0 GIADRO Cc1cccc(C[NH2+][C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)c1O ZINC000182637478 822333446 /nfs/dbraw/zinc/33/34/46/822333446.db2.gz HFELPHVIZOSZNR-AWEZNQCLSA-N 1 0 385.817 4.136 20 0 GIADRO Cc1cccc(C[NH2+][C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)c1O ZINC000182637459 822333666 /nfs/dbraw/zinc/33/36/66/822333666.db2.gz HFELPHVIZOSZNR-CQSZACIVSA-N 1 0 385.817 4.136 20 0 GIADRO Cc1ccc(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)c(OC[C@@H]2CCCO2)c1 ZINC000178151413 822334568 /nfs/dbraw/zinc/33/45/68/822334568.db2.gz IYIJIVQDGJZXOA-ICSRJNTNSA-N 1 0 386.536 4.146 20 0 GIADRO COCCOc1ccc([C@@H](C)[NH2+][C@@H]2CCOc3ccc(F)cc32)cc1OC ZINC000178151218 822334682 /nfs/dbraw/zinc/33/46/82/822334682.db2.gz XVERCXWAOIRKEG-RDTXWAMCSA-N 1 0 375.440 4.034 20 0 GIADRO C[C@H](NC(=O)NCc1csc(-c2ccccc2)n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182642957 822335510 /nfs/dbraw/zinc/33/55/10/822335510.db2.gz SZSWTHYXNIURIG-FUHWJXTLSA-N 1 0 398.576 4.262 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)NCc1ccn2ccnc2c1)C1CCCCC1 ZINC000178159996 822337177 /nfs/dbraw/zinc/33/71/77/822337177.db2.gz BEYQCFBCYJETMA-UHFFFAOYSA-N 1 0 391.519 4.421 20 0 GIADRO C[C@H](NC(=O)NCc1ccccc1OC1CCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182646892 822337404 /nfs/dbraw/zinc/33/74/04/822337404.db2.gz YZCOSCMORUZFBP-HKUYNNGSSA-N 1 0 385.552 4.070 20 0 GIADRO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CC(C)(C)CCO ZINC000178166102 822338418 /nfs/dbraw/zinc/33/84/18/822338418.db2.gz ZADOGIKBJIDKSZ-LLVKDONJSA-N 1 0 380.838 4.074 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(NC(N)=O)cc1)c1cc(Br)ccc1F ZINC000178166879 822338476 /nfs/dbraw/zinc/33/84/76/822338476.db2.gz CXHLFSAQSAQOIQ-WDEREUQCSA-N 1 0 380.261 4.491 20 0 GIADRO CCOc1cccc([C@H](C)[NH2+]CC(=O)Nc2ccccc2Br)c1 ZINC000178167946 822339042 /nfs/dbraw/zinc/33/90/42/822339042.db2.gz IRCDOUNIQRXDCX-ZDUSSCGKSA-N 1 0 377.282 4.137 20 0 GIADRO CCOc1cccc2cc([C@H](C)[NH2+]C[C@@H](O)COCc3cccs3)oc21 ZINC000182651222 822339075 /nfs/dbraw/zinc/33/90/75/822339075.db2.gz SKRFDNBOJDAOIG-GOEBONIOSA-N 1 0 375.490 4.121 20 0 GIADRO Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000182651431 822339327 /nfs/dbraw/zinc/33/93/27/822339327.db2.gz DERGNHVOTJTEMB-FQEVSTJZSA-N 1 0 389.588 4.309 20 0 GIADRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCCSc1ccc(F)cc1 ZINC000178168762 822339695 /nfs/dbraw/zinc/33/96/95/822339695.db2.gz AXXCZTQAMLPOOW-ZDUSSCGKSA-N 1 0 381.904 4.363 20 0 GIADRO C[C@@H]([NH2+]C1CCN(Cc2ccccn2)CC1)c1cccc(OC(F)(F)F)c1 ZINC000178169356 822340099 /nfs/dbraw/zinc/34/00/99/822340099.db2.gz SLWKQHJZDJHJAN-OAHLLOKOSA-N 1 0 379.426 4.295 20 0 GIADRO C[C@H]([NH2+]C1CCN(Cc2ccccn2)CC1)c1cccc(OC(F)(F)F)c1 ZINC000178169346 822340254 /nfs/dbraw/zinc/34/02/54/822340254.db2.gz SLWKQHJZDJHJAN-HNNXBMFYSA-N 1 0 379.426 4.295 20 0 GIADRO Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)nc2c1 ZINC000178169307 822340501 /nfs/dbraw/zinc/34/05/01/822340501.db2.gz YNHYOCBTSIXIBY-UWJYYQICSA-N 1 0 380.536 4.189 20 0 GIADRO O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CCn2cccc2[C@H]1c1ccccc1 ZINC000178175927 822342909 /nfs/dbraw/zinc/34/29/09/822342909.db2.gz VFSWNGFMBNHGLE-NFBKMPQASA-N 1 0 377.532 4.074 20 0 GIADRO CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000182669242 822344895 /nfs/dbraw/zinc/34/48/95/822344895.db2.gz CLHLKOYZKXWEJW-NQIIRXRSSA-N 1 0 397.567 4.167 20 0 GIADRO C[C@H]([NH2+]C[C@H](c1ccccc1Cl)N(C)C)c1ccc(N2CCOC2=O)cc1 ZINC000178188003 822346576 /nfs/dbraw/zinc/34/65/76/822346576.db2.gz UBOGOBCIXVBTRI-MGPUTAFESA-N 1 0 387.911 4.250 20 0 GIADRO COc1cc([C@@H](C)[NH2+]C[C@@H](c2ccccc2Cl)N(C)C)cc(OC)c1OC ZINC000178188259 822347354 /nfs/dbraw/zinc/34/73/54/822347354.db2.gz SKDSWMCGNPRUKB-KDOFPFPSSA-N 1 0 392.927 4.319 20 0 GIADRO Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000178191062 822347805 /nfs/dbraw/zinc/34/78/05/822347805.db2.gz LLHDXEAPYWKDAC-GDBMZVCRSA-N 1 0 397.523 4.367 20 0 GIADRO CC(C)c1ccc(-c2noc(CCC(=O)Nc3ccc([C@H](C)[NH3+])cc3)n2)cc1 ZINC000178205444 822351989 /nfs/dbraw/zinc/35/19/89/822351989.db2.gz WVRUAWKVMWJOKK-HNNXBMFYSA-N 1 0 378.476 4.451 20 0 GIADRO COC[C@H](NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(F)c(F)c1 ZINC000182691907 822352772 /nfs/dbraw/zinc/35/27/72/822352772.db2.gz AMLPGDFNPVAXRX-YWZLYKJASA-N 1 0 380.504 4.216 20 0 GIADRO C[C@@H]([NH3+])c1ccc(NC(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)cc1 ZINC000178210416 822353474 /nfs/dbraw/zinc/35/34/74/822353474.db2.gz VVDPNOCFRYLEEF-GFCCVEGCSA-N 1 0 391.393 4.104 20 0 GIADRO Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]C2CCN(Cc3ccncc3)CC2)c1 ZINC000178231051 822356707 /nfs/dbraw/zinc/35/67/07/822356707.db2.gz AYXHUEWWTHATPJ-MRXNPFEDSA-N 1 0 375.463 4.307 20 0 GIADRO C[C@@H]([NH2+]C1CCN(Cc2ccncc2)CC1)[C@@H](C)c1nc2ccccc2s1 ZINC000178233039 822357090 /nfs/dbraw/zinc/35/70/90/822357090.db2.gz ZNZHYPARCDWDAN-IAGOWNOFSA-N 1 0 380.561 4.438 20 0 GIADRO C[C@@H](CCNC(=O)N(C)CCCc1cc(-c2ccccc2)no1)[NH+]1CCCCC1 ZINC000182713970 822357148 /nfs/dbraw/zinc/35/71/48/822357148.db2.gz ITEOZPZWLDCYBR-IBGZPJMESA-N 1 0 398.551 4.180 20 0 GIADRO C[C@H]([NH2+]C1CCN(Cc2ccncc2)CC1)c1cccc(OC(F)(F)F)c1 ZINC000178235546 822357259 /nfs/dbraw/zinc/35/72/59/822357259.db2.gz KYKZIYKIESLDEK-HNNXBMFYSA-N 1 0 379.426 4.295 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)cc1OC ZINC000182724369 822358062 /nfs/dbraw/zinc/35/80/62/822358062.db2.gz GDFTUBUZRDTKCI-NVXWUHKLSA-N 1 0 378.513 4.144 20 0 GIADRO CSc1cc(C)ccc1CNC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182724650 822358216 /nfs/dbraw/zinc/35/82/16/822358216.db2.gz NFEGMAYPAHANIB-AEFFLSMTSA-N 1 0 375.582 4.169 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)C[NH2+]C2[C@H](C)CCC[C@H]2C)c(C(F)(F)F)c1 ZINC000182726878 822358361 /nfs/dbraw/zinc/35/83/61/822358361.db2.gz VHAWMYSOOWKNAI-VXGBXAGGSA-N 1 0 385.430 4.017 20 0 GIADRO Cc1ccccc1[C@H](C)CC(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000178252044 822358701 /nfs/dbraw/zinc/35/87/01/822358701.db2.gz JCEXXMUONHRZOS-NJDAHSKKSA-N 1 0 386.580 4.227 20 0 GIADRO C[C@@H]1C[NH+](CCC2CCN(C(=O)c3csc4ccccc34)CC2)C[C@@H](C)O1 ZINC000178253976 822359037 /nfs/dbraw/zinc/35/90/37/822359037.db2.gz UZQHTEKHXZSRHJ-IAGOWNOFSA-N 1 0 386.561 4.253 20 0 GIADRO O=C(NCC[N@@H+]1CCc2ccccc2C1)N(Cc1ccco1)Cc1cccs1 ZINC000045042229 822359339 /nfs/dbraw/zinc/35/93/39/822359339.db2.gz XTRGFLGRYWXKSM-UHFFFAOYSA-N 1 0 395.528 4.111 20 0 GIADRO Cn1ccnc1[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3c(Br)cccc32)CCO1 ZINC000453416972 822359908 /nfs/dbraw/zinc/35/99/08/822359908.db2.gz ZTFYFYJYEVMAEH-KKXDTOCCSA-N 1 0 390.325 4.070 20 0 GIADRO COC[C@H]([NH2+]CCc1ccc(OC)c(OC(F)F)c1)c1ccc(F)c(F)c1 ZINC000182741444 822360530 /nfs/dbraw/zinc/36/05/30/822360530.db2.gz RQKRFYBFGUJFDG-INIZCTEOSA-N 1 0 387.373 4.095 20 0 GIADRO CC(C)[NH+]1CCC(NC(=O)c2[nH]c3ccc(Br)cc3c2Cl)CC1 ZINC000045061335 822360565 /nfs/dbraw/zinc/36/05/65/822360565.db2.gz KROFFLAEOYCWJY-UHFFFAOYSA-N 1 0 398.732 4.186 20 0 GIADRO O=S1(=O)CCC[C@H]([NH2+]Cc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)C1 ZINC000182745627 822361328 /nfs/dbraw/zinc/36/13/28/822361328.db2.gz CPYKZSCJECPYQW-INIZCTEOSA-N 1 0 399.434 4.165 20 0 GIADRO CCOc1ccc([C@@H](CC)[NH2+][C@@H](C)C(=O)Nc2cccnc2C)cc1OCC ZINC000453438881 822363239 /nfs/dbraw/zinc/36/32/39/822363239.db2.gz MDUIOALBZCZPEG-FUHWJXTLSA-N 1 0 385.508 4.255 20 0 GIADRO C[C@H](NC(=O)NCc1cccc(-c2ccccn2)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182759831 822363345 /nfs/dbraw/zinc/36/33/45/822363345.db2.gz QCARTUNSDFVPMR-GHTZIAJQSA-N 1 0 392.547 4.201 20 0 GIADRO CCOc1ccccc1NC(=O)[C@@H]([NH2+]CC[C@@H]1CCCCO1)c1ccccc1 ZINC000182759373 822363407 /nfs/dbraw/zinc/36/34/07/822363407.db2.gz HSIMXJDINYAQPU-UGKGYDQZSA-N 1 0 382.504 4.314 20 0 GIADRO Cc1cc(Br)cc2c1[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccnc1C)CC2 ZINC000453444229 822363955 /nfs/dbraw/zinc/36/39/55/822363955.db2.gz OGBNISVLWRYHFZ-GUYCJALGSA-N 1 0 388.309 4.065 20 0 GIADRO CCOc1cccc2cc([C@@H](C)NC(=O)NC3CC[NH+](CC(C)C)CC3)oc21 ZINC000045133812 822365214 /nfs/dbraw/zinc/36/52/14/822365214.db2.gz JAOVGLPVVPJYOY-MRXNPFEDSA-N 1 0 387.524 4.312 20 0 GIADRO CCn1c([C@@H]2CCCCO2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000453452662 822366183 /nfs/dbraw/zinc/36/61/83/822366183.db2.gz QEOWTPYJAROJKH-NRSPTQNISA-N 1 0 397.567 4.029 20 0 GIADRO COc1cc(OC)c([C@H](C)[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)cc1Cl ZINC000178325759 822367327 /nfs/dbraw/zinc/36/73/27/822367327.db2.gz VPYRRNHAFMXFOF-KGLIPLIRSA-N 1 0 386.883 4.350 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1OC(F)F)c1ccc(-n2cncn2)cc1 ZINC000178326365 822367443 /nfs/dbraw/zinc/36/74/43/822367443.db2.gz UEWAQVLHHZINAJ-STQMWFEESA-N 1 0 376.382 4.420 20 0 GIADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(OC)cc2)cc1 ZINC000178340621 822369081 /nfs/dbraw/zinc/36/90/81/822369081.db2.gz DGHZKIFNAWCVGN-IRXDYDNUSA-N 1 0 390.549 4.138 20 0 GIADRO COc1ccccc1[C@@H](NC(=O)NC[C@@H](c1cccs1)[NH+](C)C)c1ccco1 ZINC000178360758 822371385 /nfs/dbraw/zinc/37/13/85/822371385.db2.gz IFCWUEDFPAERQG-OXJNMPFZSA-N 1 0 399.516 4.041 20 0 GIADRO Cc1c([C@@H](C)[NH2+]C2CCN(CC(F)(F)F)CC2)cnn1-c1cc(C)ccc1C ZINC000178365182 822371471 /nfs/dbraw/zinc/37/14/71/822371471.db2.gz UVYACXIQNGYSMU-MRXNPFEDSA-N 1 0 394.485 4.475 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1ccc(OCC(F)(F)F)cc1 ZINC000182829738 822374624 /nfs/dbraw/zinc/37/46/24/822374624.db2.gz MPCGRYZPFQFQOZ-KXBFYZLASA-N 1 0 379.426 4.345 20 0 GIADRO C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCc1csc(-c2ccccc2)n1 ZINC000178400131 822375392 /nfs/dbraw/zinc/37/53/92/822375392.db2.gz BJDDHAOXZHKTDP-AVRDEDQJSA-N 1 0 392.572 4.248 20 0 GIADRO COc1c(C)cc(CN(C)C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1C ZINC000182841810 822376778 /nfs/dbraw/zinc/37/67/78/822376778.db2.gz YSJLKNUJFBVPDB-AZUAARDMSA-N 1 0 387.568 4.106 20 0 GIADRO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)N2N=C(c3cccs3)C[C@H]2c2cccs2)C1 ZINC000045299748 822377683 /nfs/dbraw/zinc/37/76/83/822377683.db2.gz ZIMRKIIDDDFLRR-INMHGKMJSA-N 1 0 387.574 4.465 20 0 GIADRO CC[C@H](C)c1nnc(N(C)C2CC[NH+](CCC(F)(F)F)CC2)n1CC(C)C ZINC000453497900 822378671 /nfs/dbraw/zinc/37/86/71/822378671.db2.gz WXGAQSZLISWBOH-HNNXBMFYSA-N 1 0 389.510 4.301 20 0 GIADRO O=C(Nc1ccccc1OC(F)(F)F)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000178434272 822378722 /nfs/dbraw/zinc/37/87/22/822378722.db2.gz YFQWBANNWVXFTD-BBRMVZONSA-N 1 0 383.414 4.066 20 0 GIADRO C[C@H](NC(=O)c1c[nH]nc1-c1cccc(Cl)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182851158 822378831 /nfs/dbraw/zinc/37/88/31/822378831.db2.gz SFFCRGAFWCFEKJ-HOCLYGCPSA-N 1 0 386.927 4.113 20 0 GIADRO O=C(Nc1cccc(OC2CCCC2)c1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000178436669 822378968 /nfs/dbraw/zinc/37/89/68/822378968.db2.gz BEUCQKMCGBBXFK-VGOFRKELSA-N 1 0 383.536 4.489 20 0 GIADRO C[C@H](NC(=O)c1c[nH]nc1-c1cccc(Cl)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182851126 822378979 /nfs/dbraw/zinc/37/89/79/822378979.db2.gz SFFCRGAFWCFEKJ-GOEBONIOSA-N 1 0 386.927 4.113 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)NCc2coc(-c3cccs3)n2)c1 ZINC000045345429 822380080 /nfs/dbraw/zinc/38/00/80/822380080.db2.gz DRNNACFTVLMXIU-UHFFFAOYSA-N 1 0 398.532 4.244 20 0 GIADRO Cc1cccc([C@H]2CCCN2C(=O)NCc2ccccc2C[NH+]2CCCC2)n1 ZINC000178457188 822380838 /nfs/dbraw/zinc/38/08/38/822380838.db2.gz WYHHNMGYLKHBCN-JOCHJYFZSA-N 1 0 378.520 4.033 20 0 GIADRO C[C@@H](NC(=O)N1CCC(COc2ccccc2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182861133 822381156 /nfs/dbraw/zinc/38/11/56/822381156.db2.gz UGNYHXRYJTVCHE-CTNGQTDRSA-N 1 0 399.579 4.140 20 0 GIADRO C[C@@H](NC(=O)Nc1ccccc1OC(F)(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182866983 822382173 /nfs/dbraw/zinc/38/21/73/822382173.db2.gz VRZKBQSKIPDNJZ-ZIAGYGMSSA-N 1 0 385.430 4.360 20 0 GIADRO C[C@H](NC(=O)Nc1ccccc1OC(F)(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182866960 822382187 /nfs/dbraw/zinc/38/21/87/822382187.db2.gz VRZKBQSKIPDNJZ-UONOGXRCSA-N 1 0 385.430 4.360 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@H](C)CCc1ccc(O)cc1 ZINC000045380510 822382530 /nfs/dbraw/zinc/38/25/30/822382530.db2.gz ZIHHEKVGABYITB-GOSISDBHSA-N 1 0 383.536 4.053 20 0 GIADRO CCOc1ccccc1NC(=O)C[NH2+][C@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000182873662 822383661 /nfs/dbraw/zinc/38/36/61/822383661.db2.gz TVXGLWHGLWCDGZ-OAHLLOKOSA-N 1 0 396.466 4.008 20 0 GIADRO CC(=O)Nc1ccc(C[NH2+][C@H]2CCCOc3ccc(Br)cc32)cc1 ZINC000178485369 822384144 /nfs/dbraw/zinc/38/41/44/822384144.db2.gz VAWOOIWELAVGRB-SFHVURJKSA-N 1 0 389.293 4.411 20 0 GIADRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)c1ccc(F)cc1C(F)(F)F ZINC000178488125 822384293 /nfs/dbraw/zinc/38/42/93/822384293.db2.gz SKYULOJUVGVRDC-UHFFFAOYSA-N 1 0 394.412 4.281 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc(OC(F)F)cc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000178496955 822385200 /nfs/dbraw/zinc/38/52/00/822385200.db2.gz NNLONZWWDRYFRQ-STQMWFEESA-N 1 0 384.448 4.071 20 0 GIADRO Cc1cc(Br)c(C[N@@H+]2CCC[C@@H](CNC(=O)c3ccco3)C2)s1 ZINC000453570978 822385949 /nfs/dbraw/zinc/38/59/49/822385949.db2.gz DILDZJCCKDMQHV-ZDUSSCGKSA-N 1 0 397.338 4.054 20 0 GIADRO CCC[C@@H]1CN(C(=O)Nc2ccccc2COC)CC[N@@H+]1Cc1ccccc1 ZINC000182887467 822386301 /nfs/dbraw/zinc/38/63/01/822386301.db2.gz NFHSQEHLZSQYLW-OAQYLSRUSA-N 1 0 381.520 4.351 20 0 GIADRO Cc1ccc(C[NH+]2CCC3(CC2)OCCc2ccccc23)c(-c2ccnn2C)c1 ZINC000453573812 822386450 /nfs/dbraw/zinc/38/64/50/822386450.db2.gz IDOKCFLBCQXZAD-UHFFFAOYSA-N 1 0 387.527 4.460 20 0 GIADRO CC[C@H](NC(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)c1cccc(Cl)c1 ZINC000453574506 822386673 /nfs/dbraw/zinc/38/66/73/822386673.db2.gz RBSLNLGSESVEDG-PMACEKPBSA-N 1 0 399.922 4.095 20 0 GIADRO CC[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)c1cccc(Cl)c1 ZINC000453574511 822386689 /nfs/dbraw/zinc/38/66/89/822386689.db2.gz RBSLNLGSESVEDG-WOJBJXKFSA-N 1 0 399.922 4.095 20 0 GIADRO Cc1nc2c(s1)[C@H](N(C)C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C3CCC3)C1)CCC2 ZINC000182889926 822386845 /nfs/dbraw/zinc/38/68/45/822386845.db2.gz LGAOQAVMMVGIPJ-ZSZQSSIHSA-N 1 0 390.597 4.123 20 0 GIADRO CC(C)c1noc(CCC[NH2+][C@H]2CCCOc3ccc(Br)cc32)n1 ZINC000178512941 822386852 /nfs/dbraw/zinc/38/68/52/822386852.db2.gz KECTYSIRERHGOY-HNNXBMFYSA-N 1 0 394.313 4.392 20 0 GIADRO Clc1ccc2c(c1)[C@@H]([NH2+]CCCc1nnc3n1CCCCC3)CCS2 ZINC000178526030 822387838 /nfs/dbraw/zinc/38/78/38/822387838.db2.gz HALFRYYOCTZNAY-INIZCTEOSA-N 1 0 376.957 4.417 20 0 GIADRO CC(C)C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)c1ccccc1 ZINC000453583126 822388452 /nfs/dbraw/zinc/38/84/52/822388452.db2.gz MZNJQYIEIRDORM-YADHBBJMSA-N 1 0 393.531 4.078 20 0 GIADRO C[C@H](NC1(C[NH2+][C@@H](C)c2ccc3c(c2)CCO3)CCOCC1)c1ccccc1 ZINC000178534569 822388890 /nfs/dbraw/zinc/38/88/90/822388890.db2.gz QHKGHKARVMHHNI-OALUTQOASA-N 1 0 380.532 4.172 20 0 GIADRO [NH3+]C[C@H]1CCN(C(=O)[C@@H](Sc2ccc(F)c(Cl)c2)c2ccccc2)C1 ZINC000178542910 822389846 /nfs/dbraw/zinc/38/98/46/822389846.db2.gz LMGRFYOEKBQRAD-ACJLOTCBSA-N 1 0 378.900 4.120 20 0 GIADRO C[C@@H](NC(=O)Nc1ccc(OC(F)F)c(F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182906491 822390166 /nfs/dbraw/zinc/39/01/66/822390166.db2.gz CDQZQEUIHCZDJU-OLZOCXBDSA-N 1 0 385.430 4.202 20 0 GIADRO CC(C)[C@@H](NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc(Cl)cc1F ZINC000182910939 822391172 /nfs/dbraw/zinc/39/11/72/822391172.db2.gz RNPQNTDOXUNEAW-HNAYVOBHSA-N 1 0 381.923 4.304 20 0 GIADRO COc1ccc([C@@H](C[NH+](C)C)NCc2sc(C)cc2Br)cc1 ZINC000453600620 822391174 /nfs/dbraw/zinc/39/11/74/822391174.db2.gz QMOCKZJPYIMBRV-MRXNPFEDSA-N 1 0 383.355 4.220 20 0 GIADRO C[C@@H](NC(=O)N(CCc1cccc(F)c1)C1CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182919410 822392767 /nfs/dbraw/zinc/39/27/67/822392767.db2.gz YUPZUPXZCRUOED-MJGOQNOKSA-N 1 0 387.543 4.195 20 0 GIADRO OCC1([C@@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)c2ccccc2)CCCC1 ZINC000453611426 822392799 /nfs/dbraw/zinc/39/27/99/822392799.db2.gz IHUREZAKYBMCMQ-QHCPKHFHSA-N 1 0 375.516 4.315 20 0 GIADRO CCOc1c(OC)cc(C[NH2+][C@H](c2ccccc2)C2(CO)CCCC2)cc1OC ZINC000453620067 822394355 /nfs/dbraw/zinc/39/43/55/822394355.db2.gz SFTGUUUHPIBAAZ-HSZRJFAPSA-N 1 0 399.531 4.486 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)N1CCC(C(=O)c2ccccc2)CC1)CC(C)C ZINC000045537820 822394366 /nfs/dbraw/zinc/39/43/66/822394366.db2.gz NLTLIPCJHMPBNZ-OAQYLSRUSA-N 1 0 387.568 4.047 20 0 GIADRO COc1cccc(C2CCN(C(=O)N[C@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)CC2)c1 ZINC000182927739 822394487 /nfs/dbraw/zinc/39/44/87/822394487.db2.gz NYKSIDAEUYBWSF-NQIIRXRSSA-N 1 0 399.579 4.237 20 0 GIADRO Cc1ccc2oc(C(=O)N3CC[C@H]4[C@@H](CCC[N@@H+]4Cc4ccccc4)C3)cc2n1 ZINC000178599830 822395408 /nfs/dbraw/zinc/39/54/08/822395408.db2.gz FNQUXVYXSMHTKR-FPOVZHCZSA-N 1 0 389.499 4.263 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)c1cc(Cl)c2c(c1)OCCO2)c1ccc2ccccc2n1 ZINC000178604703 822395685 /nfs/dbraw/zinc/39/56/85/822395685.db2.gz HDNWSHTYRXCRHJ-DJJJIMSYSA-N 1 0 384.863 4.044 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)c1cc(Cl)c2c(c1)OCCO2)c1ccc2ccccc2n1 ZINC000178604820 822395695 /nfs/dbraw/zinc/39/56/95/822395695.db2.gz HDNWSHTYRXCRHJ-BFUOFWGJSA-N 1 0 384.863 4.044 20 0 GIADRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)NNc2cccc(C#N)c2)cc1 ZINC000045567956 822395852 /nfs/dbraw/zinc/39/58/52/822395852.db2.gz BJSLWWXKOIAQKX-UHFFFAOYSA-N 1 0 399.498 4.113 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(C(F)(F)F)cc1)c1ccc2ccccc2n1 ZINC000178609447 822395931 /nfs/dbraw/zinc/39/59/31/822395931.db2.gz GPQCEQHBPIMSPK-RHSMWYFYSA-N 1 0 390.405 4.344 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1)c1ccc2ccccc2n1 ZINC000178615379 822396417 /nfs/dbraw/zinc/39/64/17/822396417.db2.gz HVFMHCDWUFERHQ-OPAMFIHVSA-N 1 0 375.472 4.203 20 0 GIADRO CCOc1ccc(NC(=O)N2CCC(CCC[NH+](CC)CC)CC2)cc1OC ZINC000182941715 822396940 /nfs/dbraw/zinc/39/69/40/822396940.db2.gz NYHMCJYYNBECNQ-UHFFFAOYSA-N 1 0 391.556 4.460 20 0 GIADRO C[NH+](C)Cc1ccccc1CNC(=O)Cc1csc(-c2ccccc2Cl)n1 ZINC000045581101 822397049 /nfs/dbraw/zinc/39/70/49/822397049.db2.gz DPPNEFBXIREUPU-UHFFFAOYSA-N 1 0 399.947 4.384 20 0 GIADRO CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2ccc3ccccc3n2)cc1 ZINC000178620214 822397055 /nfs/dbraw/zinc/39/70/55/822397055.db2.gz MVFSEOWKZKTTNP-KRWDZBQOSA-N 1 0 397.544 4.115 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)COc1cccc(C(F)(F)F)c1)c1ccc2ccccc2n1 ZINC000178621413 822397094 /nfs/dbraw/zinc/39/70/94/822397094.db2.gz OQYBGLPACFYQHC-YOEHRIQHSA-N 1 0 390.405 4.344 20 0 GIADRO c1cn(CCC[NH2+]C2(c3ccc(OCc4ccccc4)cc3)CCOCC2)cn1 ZINC000182956143 822399542 /nfs/dbraw/zinc/39/95/42/822399542.db2.gz WJNURRPUVCKGMU-UHFFFAOYSA-N 1 0 391.515 4.148 20 0 GIADRO C[C@H](CNC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C)c1nccs1 ZINC000182959583 822399983 /nfs/dbraw/zinc/39/99/83/822399983.db2.gz UJNWSFICSQMLLK-IAGOWNOFSA-N 1 0 386.565 4.120 20 0 GIADRO Cn1cc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)c(C2CCCCC2)n1 ZINC000182973007 822402421 /nfs/dbraw/zinc/40/24/21/822402421.db2.gz GZNCTKUCYMFLDR-LJQANCHMSA-N 1 0 396.583 4.165 20 0 GIADRO CN(Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000045658501 822403181 /nfs/dbraw/zinc/40/31/81/822403181.db2.gz WTXYQKFXPHVRND-MRXNPFEDSA-N 1 0 385.455 4.211 20 0 GIADRO Cc1nccn1C[C@H](C)C[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000178696174 822403608 /nfs/dbraw/zinc/40/36/08/822403608.db2.gz XXJOIFHAODVDSQ-CXAGYDPISA-N 1 0 378.314 4.094 20 0 GIADRO Cc1cc(C(=O)CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c(C)n1CCc1cccs1 ZINC000178717708 822405291 /nfs/dbraw/zinc/40/52/91/822405291.db2.gz NDUGYABDWZKCOE-VQIMIIECSA-N 1 0 387.593 4.006 20 0 GIADRO CC[C@H](C)NC(=O)CC[NH2+][C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000178716849 822405330 /nfs/dbraw/zinc/40/53/30/822405330.db2.gz NLYHGSOXVHNSCE-KBPBESRZSA-N 1 0 375.538 4.083 20 0 GIADRO Cc1ccccc1C(=O)NC1CC[NH+](Cc2cn(C)nc2C2CCCCC2)CC1 ZINC000182989584 822406564 /nfs/dbraw/zinc/40/65/64/822406564.db2.gz HYCBHAFPATXCJO-UHFFFAOYSA-N 1 0 394.563 4.171 20 0 GIADRO Brc1ccc2c(c1)OCCC[C@@H]2[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000178743357 822406677 /nfs/dbraw/zinc/40/66/77/822406677.db2.gz WABDSNDFKBGNQW-SFHVURJKSA-N 1 0 399.292 4.033 20 0 GIADRO FC(F)CN1CCC[N@H+](CCSc2ccnc3cc(Cl)ccc32)CC1 ZINC000182994298 822407611 /nfs/dbraw/zinc/40/76/11/822407611.db2.gz HBWXKCUIONGJEK-UHFFFAOYSA-N 1 0 385.911 4.253 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2C)cnn1-c1ccc(F)cc1 ZINC000182999976 822408666 /nfs/dbraw/zinc/40/86/66/822408666.db2.gz HQPOXQWKBZBMTR-HOTGVXAUSA-N 1 0 380.467 4.306 20 0 GIADRO COc1cc([C@H](C)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)ccc1SC ZINC000183005960 822409887 /nfs/dbraw/zinc/40/98/87/822409887.db2.gz WACAFTRYCOQBFL-HNAYVOBHSA-N 1 0 399.560 4.040 20 0 GIADRO C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1CC[NH+](C2CCCC2)CC1 ZINC000045753685 822410343 /nfs/dbraw/zinc/41/03/43/822410343.db2.gz ZGIJTGNDRFBXAP-LJQANCHMSA-N 1 0 393.531 4.366 20 0 GIADRO C[C@@H](Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1)c1ccc(F)cc1Cl ZINC000183007809 822410432 /nfs/dbraw/zinc/41/04/32/822410432.db2.gz NHPVUIYCDVNNCL-BFUOFWGJSA-N 1 0 375.875 4.102 20 0 GIADRO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CC[NH+](C2CCCC2)CC1 ZINC000045753812 822410429 /nfs/dbraw/zinc/41/04/29/822410429.db2.gz GCVHOWMIACFMTK-LJQANCHMSA-N 1 0 377.532 4.241 20 0 GIADRO O=C(NNc1cc[nH+]cc1)[C@@H](Oc1ccccc1Br)c1ccccc1 ZINC000183010438 822410875 /nfs/dbraw/zinc/41/08/75/822410875.db2.gz LMBUMSAESPJIIP-SFHVURJKSA-N 1 0 398.260 4.108 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)N(C)Cc2ccc(F)c(F)c2)CC1 ZINC000045757570 822410998 /nfs/dbraw/zinc/41/09/98/822410998.db2.gz NEOWEVHNNSZKJM-UHFFFAOYSA-N 1 0 387.474 4.079 20 0 GIADRO COc1ccc(F)cc1[C@@H](C)NC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000045757516 822411047 /nfs/dbraw/zinc/41/10/47/822411047.db2.gz LYOZIGLSPLMECT-QGZVFWFLSA-N 1 0 399.510 4.168 20 0 GIADRO C[C@H]1C[C@H](Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)c2ccsc2S1 ZINC000183011465 822411117 /nfs/dbraw/zinc/41/11/17/822411117.db2.gz FRSYZOIPQKBPNO-DOPJRALCSA-N 1 0 387.574 4.235 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000183015546 822411714 /nfs/dbraw/zinc/41/17/14/822411714.db2.gz GGAZRQRDRIROEZ-LBPRGKRZSA-N 1 0 388.924 4.493 20 0 GIADRO CC(C)c1ccc(C(=O)Nc2sccc2C(=O)N2CCC([C@@H](C)[NH3+])CC2)cc1 ZINC000178804464 822411950 /nfs/dbraw/zinc/41/19/50/822411950.db2.gz QNTAHRFRFLRRKN-OAHLLOKOSA-N 1 0 399.560 4.323 20 0 GIADRO O=C(Nc1ncc(Cc2ccccc2)s1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000178806065 822412143 /nfs/dbraw/zinc/41/21/43/822412143.db2.gz LHAIHSIFPBCKSX-XLIONFOSSA-N 1 0 396.560 4.215 20 0 GIADRO C[C@H]([NH3+])C1CCN(C(=O)c2ccc(COc3ccc4ccccc4c3)o2)CC1 ZINC000178809090 822412587 /nfs/dbraw/zinc/41/25/87/822412587.db2.gz CQSUMIQUUALWLU-INIZCTEOSA-N 1 0 378.472 4.211 20 0 GIADRO COc1cccc(CN(C)C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)c1 ZINC000045778028 822412601 /nfs/dbraw/zinc/41/26/01/822412601.db2.gz NFPVUXWEIDDAFY-UHFFFAOYSA-N 1 0 395.547 4.269 20 0 GIADRO Cc1cc([C@@H]2CCCN2C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)no1 ZINC000045777830 822412644 /nfs/dbraw/zinc/41/26/44/822412644.db2.gz QYVFVVAIQOCKDX-QFIPXVFZSA-N 1 0 396.535 4.262 20 0 GIADRO Cc1cc([C@H]2CCCN2C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)no1 ZINC000045779975 822412788 /nfs/dbraw/zinc/41/27/88/822412788.db2.gz VJRRRFCVSXAJFQ-HTAPYJJXSA-N 1 0 396.535 4.404 20 0 GIADRO Cc1cc([C@@H]2CCCN2C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)no1 ZINC000045779970 822412802 /nfs/dbraw/zinc/41/28/02/822412802.db2.gz VJRRRFCVSXAJFQ-JTSKRJEESA-N 1 0 396.535 4.404 20 0 GIADRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)CCc1nnc(-c2ccccc2)o1 ZINC000178822272 822413822 /nfs/dbraw/zinc/41/38/22/822413822.db2.gz HLAHFYJFLNKDNB-UHFFFAOYSA-N 1 0 390.487 4.212 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N(C)CCCOc1ccccc1 ZINC000045789853 822414011 /nfs/dbraw/zinc/41/40/11/822414011.db2.gz QBZURZTUSKQPOQ-UHFFFAOYSA-N 1 0 383.536 4.137 20 0 GIADRO Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)[C@@H](C)[C@H]([NH3+])c3ccccc3)cc2)n1 ZINC000178823614 822414129 /nfs/dbraw/zinc/41/41/29/822414129.db2.gz CCYQMXNBAORNMV-SPEDKVCISA-N 1 0 376.504 4.002 20 0 GIADRO C[C@H]([NH3+])C1CCN(C(=O)c2cc(-c3ccc(F)cc3)nc3ccccc32)CC1 ZINC000178837043 822415168 /nfs/dbraw/zinc/41/51/68/822415168.db2.gz NCDJUHCBENBGCY-HNNXBMFYSA-N 1 0 377.463 4.240 20 0 GIADRO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1C ZINC000045812913 822415612 /nfs/dbraw/zinc/41/56/12/822415612.db2.gz IBLCYGNYPZMCJK-SJORKVTESA-N 1 0 379.504 4.330 20 0 GIADRO Cc1ccc(F)cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000045812849 822415722 /nfs/dbraw/zinc/41/57/22/822415722.db2.gz QLUYWOOWPCOOON-GJZGRUSLSA-N 1 0 383.467 4.160 20 0 GIADRO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000045813257 822415904 /nfs/dbraw/zinc/41/59/04/822415904.db2.gz XRIULTFUUOXJFF-OKZBNKHCSA-N 1 0 393.531 4.260 20 0 GIADRO CCN(Cc1cccc(Cl)c1)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000045815773 822416048 /nfs/dbraw/zinc/41/60/48/822416048.db2.gz QBNLOLOFEFQSIE-UHFFFAOYSA-N 1 0 389.927 4.012 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1cc(Br)c[nH]1)c1ccccc1Cl ZINC000045820204 822416654 /nfs/dbraw/zinc/41/66/54/822416654.db2.gz SWBIRFQNQNJQCA-MRXNPFEDSA-N 1 0 398.732 4.244 20 0 GIADRO COc1ccc(OC)c(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(C(F)(F)F)cc2)c1 ZINC000045820762 822416705 /nfs/dbraw/zinc/41/67/05/822416705.db2.gz FDOYVAFLYBBXFA-QWHCGFSZSA-N 1 0 396.409 4.400 20 0 GIADRO CCOC(=O)C[C@@H](C)N(C)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000183054553 822418077 /nfs/dbraw/zinc/41/80/77/822418077.db2.gz MZOCUHDVNUMIPE-QGZVFWFLSA-N 1 0 389.540 4.257 20 0 GIADRO CC[C@H](NC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1)c1ccc(C)cc1 ZINC000178889522 822419433 /nfs/dbraw/zinc/41/94/33/822419433.db2.gz IYUWHVIDLXYNPG-GCJKJVERSA-N 1 0 380.536 4.366 20 0 GIADRO COc1ccc([C@@H](Nc2cccc(C[NH+]3CCC(CO)CC3)c2)C2CC2)cc1 ZINC000183073744 822420598 /nfs/dbraw/zinc/42/05/98/822420598.db2.gz AEGGIGMRMGBSAP-DEOSSOPVSA-N 1 0 380.532 4.463 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)C(=O)Nc3ccccc3C(C)(C)C)ccc21 ZINC000453990270 822421322 /nfs/dbraw/zinc/42/13/22/822421322.db2.gz PCLCLHKTHQAZRB-FQEVSTJZSA-N 1 0 379.504 4.110 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)c1 ZINC000183076665 822421411 /nfs/dbraw/zinc/42/14/11/822421411.db2.gz QXVFFKSGHQIDFS-KRWDZBQOSA-N 1 0 381.520 4.022 20 0 GIADRO COc1ccc(OC)c([C@@H](C)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)c1 ZINC000183078396 822421586 /nfs/dbraw/zinc/42/15/86/822421586.db2.gz FSMQRMMACFNNJK-QGZVFWFLSA-N 1 0 384.520 4.081 20 0 GIADRO COc1cc(-c2ccccc2)ccc1CNC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000183078037 822421626 /nfs/dbraw/zinc/42/16/26/822421626.db2.gz VCOLROSABUQDHO-ZEQRLZLVSA-N 1 0 394.559 4.220 20 0 GIADRO C/C(=C\c1ccccc1Cl)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000178918324 822421725 /nfs/dbraw/zinc/42/17/25/822421725.db2.gz UMUXFMKOHAZJNO-SAPNQHFASA-N 1 0 398.934 4.016 20 0 GIADRO CC1CC[NH+](C2CCC(NC(=O)NCc3ccc(OC(F)F)cc3)CC2)CC1 ZINC000178927216 822422274 /nfs/dbraw/zinc/42/22/74/822422274.db2.gz XPGQEWGRSLKDFZ-UHFFFAOYSA-N 1 0 395.494 4.130 20 0 GIADRO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000183084691 822422648 /nfs/dbraw/zinc/42/26/48/822422648.db2.gz YZVLUYYOQFHOLA-CYBMUJFWSA-N 1 0 393.890 4.437 20 0 GIADRO CCOc1ccc(OC)cc1NC(=O)N1CCC(CCC[NH+](CC)CC)CC1 ZINC000183098310 822424004 /nfs/dbraw/zinc/42/40/04/822424004.db2.gz CQLCPEUWHMPIIN-UHFFFAOYSA-N 1 0 391.556 4.460 20 0 GIADRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1cccc(N3CCCS3(=O)=O)c1)CCC2 ZINC000178952274 822424217 /nfs/dbraw/zinc/42/42/17/822424217.db2.gz IROSNDKCUALEJB-HTAPYJJXSA-N 1 0 384.545 4.263 20 0 GIADRO COc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc4[nH]c(C)c(C)c4c3)CC2)cc1 ZINC000045929909 822424269 /nfs/dbraw/zinc/42/42/69/822424269.db2.gz FDWKTMWPEZAGOK-UHFFFAOYSA-N 1 0 391.515 4.141 20 0 GIADRO COc1ccc(C[C@@H](C)C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cc1OC ZINC000183104621 822425005 /nfs/dbraw/zinc/42/50/05/822425005.db2.gz KMIKPQOBUZVEDN-QGZVFWFLSA-N 1 0 382.504 4.117 20 0 GIADRO C[S@](=O)C[C@@H]([NH2+]CCCOc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000183104982 822425034 /nfs/dbraw/zinc/42/50/34/822425034.db2.gz HRPZDGBOBRTWNF-DWXRJYCRSA-N 1 0 385.451 4.184 20 0 GIADRO C[NH2+]C[C@@H]1CCN(C(=O)CS[C@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000178965168 822425082 /nfs/dbraw/zinc/42/50/82/822425082.db2.gz GBDNVXYJNKPINI-HRAATJIYSA-N 1 0 388.964 4.231 20 0 GIADRO C[NH2+]C[C@H]1CCN(C(=O)c2ccc(F)cc2-c2ccc(Cl)c(Cl)c2)C1 ZINC000178968296 822425241 /nfs/dbraw/zinc/42/52/41/822425241.db2.gz IHUYKYANBURCLA-GFCCVEGCSA-N 1 0 381.278 4.481 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Nc1ccc2c(c1)OCO2 ZINC000045947358 822426170 /nfs/dbraw/zinc/42/61/70/822426170.db2.gz LEBYHJUVYCZHEA-INIZCTEOSA-N 1 0 381.476 4.111 20 0 GIADRO COc1cc(Cl)c(Cl)cc1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000178987909 822426630 /nfs/dbraw/zinc/42/66/30/822426630.db2.gz UGCGRCLVMKPZAA-PXAZEXFGSA-N 1 0 383.319 4.091 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1ccc(-n2cccn2)c(Cl)c1 ZINC000183119814 822427150 /nfs/dbraw/zinc/42/71/50/822427150.db2.gz RJGOFQYVUIMKON-UZLBHIALSA-N 1 0 381.911 4.243 20 0 GIADRO C[NH2+]C[C@@H]1CCN(C(=O)c2ccccc2Oc2ccc(Cl)cc2Cl)C1 ZINC000178999705 822428236 /nfs/dbraw/zinc/42/82/36/822428236.db2.gz NHTVEDKCTMNSSV-ZDUSSCGKSA-N 1 0 379.287 4.467 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)N2CCC[C@@H]2c2ccsc2)CC1 ZINC000045977470 822428751 /nfs/dbraw/zinc/42/87/51/822428751.db2.gz MDUOFUADXQZBPY-LJQANCHMSA-N 1 0 384.549 4.259 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2c(C)cccc2C)cc1 ZINC000183140491 822429809 /nfs/dbraw/zinc/42/98/09/822429809.db2.gz BBAPELHLIQUOQF-MSOLQXFVSA-N 1 0 376.504 4.475 20 0 GIADRO COCc1c(C(=O)NCC[C@@H](C)[NH+]2CCCCC2)sc2cccc(F)c21 ZINC000183146104 822431016 /nfs/dbraw/zinc/43/10/16/822431016.db2.gz OERQUJYMTPABMU-CQSZACIVSA-N 1 0 378.513 4.181 20 0 GIADRO C[C@H]1CCC[N@H+](CCCCNC(=O)NCc2ccnc(Oc3ccccc3)c2)C1 ZINC000045997301 822432356 /nfs/dbraw/zinc/43/23/56/822432356.db2.gz OKYJMKAUZGNEKK-IBGZPJMESA-N 1 0 396.535 4.185 20 0 GIADRO COC1CCC([NH2+]C[C@@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)CC1 ZINC000183154497 822432662 /nfs/dbraw/zinc/43/26/62/822432662.db2.gz CKSOYHJISUSTKO-MHJFOBGBSA-N 1 0 380.960 4.039 20 0 GIADRO CSCC1CCC(NC(=O)NCc2ccccc2C[NH+]2CCCC2)CC1 ZINC000454160037 822434249 /nfs/dbraw/zinc/43/42/49/822434249.db2.gz FHFYQSAKCQXKDY-UHFFFAOYSA-N 1 0 375.582 4.003 20 0 GIADRO COc1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000179061579 822434489 /nfs/dbraw/zinc/43/44/89/822434489.db2.gz DSUFFRRGZOGONM-HNNXBMFYSA-N 1 0 393.314 4.140 20 0 GIADRO CC[NH+]1CCN(Cc2ccc(N[C@@H](C)c3ccc(OC)c(OC)c3)cc2)CC1 ZINC000183180268 822436542 /nfs/dbraw/zinc/43/65/42/822436542.db2.gz AVKUSQOOCJGBOI-SFHVURJKSA-N 1 0 383.536 4.014 20 0 GIADRO C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1csc(-c2cccc(Br)c2)n1 ZINC000179085616 822436586 /nfs/dbraw/zinc/43/65/86/822436586.db2.gz FTIKTIJCIFIKLW-LRDDRELGSA-N 1 0 381.339 4.308 20 0 GIADRO COc1ccc([C@H](CNC(=O)Nc2ccc(N(C)C)cc2C)[NH+]2CCCC2)cc1 ZINC000046030958 822436924 /nfs/dbraw/zinc/43/69/24/822436924.db2.gz YQSNAQWPUAWIQR-QFIPXVFZSA-N 1 0 396.535 4.028 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCCC1)N1CCC[C@]2(CCSC2)C1 ZINC000454187718 822436948 /nfs/dbraw/zinc/43/69/48/822436948.db2.gz ALSRLHFLPPMWQR-QFIPXVFZSA-N 1 0 387.593 4.101 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCCC1)N1CCC[C@@]2(CCSC2)C1 ZINC000454187717 822436985 /nfs/dbraw/zinc/43/69/85/822436985.db2.gz ALSRLHFLPPMWQR-JOCHJYFZSA-N 1 0 387.593 4.101 20 0 GIADRO Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]Cc1cccc(CS(C)(=O)=O)c1 ZINC000179107249 822438914 /nfs/dbraw/zinc/43/89/14/822438914.db2.gz GFYCEGOPIGRIIX-IBGZPJMESA-N 1 0 393.936 4.197 20 0 GIADRO CN(C(=O)Nc1cccc2c1CCCC2)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000454209389 822439028 /nfs/dbraw/zinc/43/90/28/822439028.db2.gz SMNYCKOKUXZFQZ-UHFFFAOYSA-N 1 0 383.458 4.446 20 0 GIADRO CN(C(=O)c1sc2cccc(F)c2c1COc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000179121181 822440284 /nfs/dbraw/zinc/44/02/84/822440284.db2.gz IFKHPMHGAQJRNR-AWEZNQCLSA-N 1 0 384.476 4.053 20 0 GIADRO CC(C)OCC[NH+]1CCC(NC(=O)N[C@H](CC2CCC2)c2ccccc2)CC1 ZINC000183200057 822440337 /nfs/dbraw/zinc/44/03/37/822440337.db2.gz MKWQJKHVXFKISG-JOCHJYFZSA-N 1 0 387.568 4.107 20 0 GIADRO CC(C)OCC[NH+]1CCC(NC(=O)N[C@@H](CC2CCC2)c2ccccc2)CC1 ZINC000183200036 822440368 /nfs/dbraw/zinc/44/03/68/822440368.db2.gz MKWQJKHVXFKISG-QFIPXVFZSA-N 1 0 387.568 4.107 20 0 GIADRO Cc1cnc([C@@H](C)C[NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)s1 ZINC000183201353 822440571 /nfs/dbraw/zinc/44/05/71/822440571.db2.gz YQKPDWIGWLQFKM-RYUDHWBXSA-N 1 0 396.354 4.324 20 0 GIADRO CN(Cc1ccc(OC(F)F)cc1)C(=O)C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000046088493 822440704 /nfs/dbraw/zinc/44/07/04/822440704.db2.gz PRRZMKVDZVUCLN-KRWDZBQOSA-N 1 0 380.460 4.145 20 0 GIADRO Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)c1C ZINC000183202747 822440822 /nfs/dbraw/zinc/44/08/22/822440822.db2.gz NEHCBMNCYHPRLV-OAHLLOKOSA-N 1 0 394.441 4.183 20 0 GIADRO CC[NH+](CC)CCOc1ccc(CNC(=O)N(C)[C@H](C)c2ccccc2)cc1 ZINC000046104701 822441367 /nfs/dbraw/zinc/44/13/67/822441367.db2.gz FKLCHJBSIZWVOX-LJQANCHMSA-N 1 0 383.536 4.310 20 0 GIADRO Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)[NH2+]CC(C)(C)C(N)=O ZINC000183207706 822441625 /nfs/dbraw/zinc/44/16/25/822441625.db2.gz OHOZHJAUSKRZBT-JTQLQIEISA-N 1 0 396.354 4.043 20 0 GIADRO O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000454235801 822441828 /nfs/dbraw/zinc/44/18/28/822441828.db2.gz HKHPRKXLKUWSLJ-FPOVZHCZSA-N 1 0 379.504 4.353 20 0 GIADRO C[NH2+]C1CCN(C(=O)[C@H](Sc2cc(F)ccc2F)c2ccccc2)CC1 ZINC000179137534 822441917 /nfs/dbraw/zinc/44/19/17/822441917.db2.gz STACXJCTAQXECZ-LJQANCHMSA-N 1 0 376.472 4.009 20 0 GIADRO Cc1cccc(COc2ccc([C@@H](C)[NH2+]C3CCN(C(=O)N(C)C)CC3)cc2)c1 ZINC000183212675 822442473 /nfs/dbraw/zinc/44/24/73/822442473.db2.gz NDSQIVJSOOFKIF-LJQANCHMSA-N 1 0 395.547 4.371 20 0 GIADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)CC2CCC(C(F)(F)F)CC2)cc1 ZINC000183221503 822443565 /nfs/dbraw/zinc/44/35/65/822443565.db2.gz XYPNSYRCOHEUPN-UHFFFAOYSA-N 1 0 399.457 4.274 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccc(OCC(F)(F)F)cc1 ZINC000046143716 822443796 /nfs/dbraw/zinc/44/37/96/822443796.db2.gz JRISSCBEBFIYJW-QGZVFWFLSA-N 1 0 396.409 4.178 20 0 GIADRO C[C@H]1C[C@@H](C(F)(F)F)CCN1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000454255225 822444196 /nfs/dbraw/zinc/44/41/96/822444196.db2.gz VTKJIDFSHWQHAV-YJBOKZPZSA-N 1 0 383.458 4.155 20 0 GIADRO CSc1ccc([C@@H](CNC(=O)Nc2ccccc2N2CCCC2)[NH+](C)C)cc1 ZINC000454259800 822445019 /nfs/dbraw/zinc/44/50/19/822445019.db2.gz FJMBTRYEPHVFPU-OAQYLSRUSA-N 1 0 398.576 4.433 20 0 GIADRO CCOc1ccc(C(=O)N2CCC([NH2+][C@@H](C)c3cccc(F)c3F)CC2)cc1 ZINC000183238735 822446546 /nfs/dbraw/zinc/44/65/46/822446546.db2.gz GXAFDPMUKPUSTM-HNNXBMFYSA-N 1 0 388.458 4.319 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1cc2c(cc1Br)OCCO2)c1cccc(CO)c1 ZINC000183241179 822446881 /nfs/dbraw/zinc/44/68/81/822446881.db2.gz LWHBLSITDDOJCX-OLZOCXBDSA-N 1 0 392.293 4.124 20 0 GIADRO C[C@H](NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1ncc(-c2ccccc2)o1 ZINC000179175901 822447217 /nfs/dbraw/zinc/44/72/17/822447217.db2.gz DHTNGPQMNUSGFC-NBHGPNQESA-N 1 0 390.487 4.147 20 0 GIADRO Cc1ccccc1[C@H](CC(C)C)[NH2+]CC(=O)Nc1cccc(C(=O)N(C)C)c1 ZINC000183243484 822447562 /nfs/dbraw/zinc/44/75/62/822447562.db2.gz INOMQOVHPSVNMT-NRFANRHFSA-N 1 0 381.520 4.012 20 0 GIADRO Cn1ccnc1[C@@H]([NH2+]C[C@H](c1ccccc1)N1CCc2sccc2C1)C1CC1 ZINC000183248374 822448087 /nfs/dbraw/zinc/44/80/87/822448087.db2.gz ARFDTPXXZQOQLE-IRLDBZIGSA-N 1 0 392.572 4.322 20 0 GIADRO CCc1nocc1CN(C)C(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000454276448 822448621 /nfs/dbraw/zinc/44/86/21/822448621.db2.gz TZZOEMMUWOSAHP-QZTJIDSGSA-N 1 0 398.551 4.057 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CC2(CCCC2)[C@H]1C(C)C ZINC000454276686 822448804 /nfs/dbraw/zinc/44/88/04/822448804.db2.gz MYRCMHGFGDZPLX-OAQYLSRUSA-N 1 0 384.568 4.179 20 0 GIADRO C[C@@H](C[N@H+](C)Cc1cc(Br)c2c(c1)OCCCO2)c1nccs1 ZINC000183253676 822448818 /nfs/dbraw/zinc/44/88/18/822448818.db2.gz SQNVPHHTVOHKPE-LBPRGKRZSA-N 1 0 397.338 4.302 20 0 GIADRO CN(C(=O)CC[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000179200941 822449937 /nfs/dbraw/zinc/44/99/37/822449937.db2.gz WTLCLJLDQVUUPN-UHFFFAOYSA-N 1 0 384.907 4.288 20 0 GIADRO O=C(Nc1cc2c(cc1Cl)OCO2)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000179206354 822450955 /nfs/dbraw/zinc/45/09/55/822450955.db2.gz QPBYOOZGCHQNHI-UHFFFAOYSA-N 1 0 393.915 4.189 20 0 GIADRO Brc1cccc2c1CC[C@H]2[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000179207268 822451192 /nfs/dbraw/zinc/45/11/92/822451192.db2.gz UJCQQQRWSMHXDD-HXUWFJFHSA-N 1 0 386.337 4.086 20 0 GIADRO COc1cccc([C@H]2[C@H](NC(=O)c3ccc4ncsc4c3)CC[N@@H+]2C2CC2)c1 ZINC000183276720 822452479 /nfs/dbraw/zinc/45/24/79/822452479.db2.gz KGNAWSSFIBUZKV-CTNGQTDRSA-N 1 0 393.512 4.013 20 0 GIADRO CN(Cc1ccsc1)C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000046226315 822452580 /nfs/dbraw/zinc/45/25/80/822452580.db2.gz CEZAGLRLMQZXAU-SFHVURJKSA-N 1 0 377.941 4.380 20 0 GIADRO CCOC(=O)c1cc(-c2ccccc2)ccc1NC(=O)N1CCC([NH+](C)C)CC1 ZINC000179219931 822453106 /nfs/dbraw/zinc/45/31/06/822453106.db2.gz CPIPGWWIAGDIIF-UHFFFAOYSA-N 1 0 395.503 4.088 20 0 GIADRO CCCCOc1c(Cl)cc(C(=O)Nc2ccc(OCC[NH3+])cc2)cc1OC ZINC000183283514 822453199 /nfs/dbraw/zinc/45/31/99/822453199.db2.gz HJMLDUQYCYYVRW-UHFFFAOYSA-N 1 0 392.883 4.117 20 0 GIADRO CCOc1ccc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)cc1OC ZINC000454299284 822454065 /nfs/dbraw/zinc/45/40/65/822454065.db2.gz ZRUMRSDQJVDHHD-SFHVURJKSA-N 1 0 397.519 4.080 20 0 GIADRO COc1cccc(N2CCC[C@@H]([NH2+][C@@H](C)c3ncc(Br)s3)C2)c1 ZINC000179231871 822454647 /nfs/dbraw/zinc/45/46/47/822454647.db2.gz MOXMLCUWCVCPEP-QWHCGFSZSA-N 1 0 396.354 4.234 20 0 GIADRO COc1cccc(N2CCC[C@H]([NH2+][C@@H](C)c3ncc(Br)s3)C2)c1 ZINC000179231885 822454666 /nfs/dbraw/zinc/45/46/66/822454666.db2.gz MOXMLCUWCVCPEP-STQMWFEESA-N 1 0 396.354 4.234 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)N2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c1 ZINC000454303338 822455008 /nfs/dbraw/zinc/45/50/08/822455008.db2.gz XKZNLNLYCVJVAC-YADHBBJMSA-N 1 0 399.579 4.019 20 0 GIADRO CO[C@@H]1CCN(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)CC1(C)C ZINC000454306092 822455369 /nfs/dbraw/zinc/45/53/69/822455369.db2.gz HIQWQTLRPOHKNA-WIYYLYMNSA-N 1 0 387.568 4.018 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)NCc1cc(-c2ccccc2)no1)c1ccsc1 ZINC000046254985 822455900 /nfs/dbraw/zinc/45/59/00/822455900.db2.gz MLEXWRALXHSPDF-FQEVSTJZSA-N 1 0 398.532 4.285 20 0 GIADRO O=C(c1nc2cc(Cl)ccc2s1)N1CCC([NH2+]Cc2ccccc2)CC1 ZINC000454312766 822456472 /nfs/dbraw/zinc/45/64/72/822456472.db2.gz XVTBAISGHHEXGC-UHFFFAOYSA-N 1 0 385.920 4.344 20 0 GIADRO COc1ccc([C@@H](CCO)[NH2+][C@@H](C)c2cc(Br)ccc2F)cc1 ZINC000179249639 822457159 /nfs/dbraw/zinc/45/71/59/822457159.db2.gz JAMMGMHKBYLMSV-KPZWWZAWSA-N 1 0 382.273 4.371 20 0 GIADRO C[C@@H]([NH2+]CCOc1c(Cl)cc(Br)cc1Cl)[C@H]1CCOC1 ZINC000183330569 822459766 /nfs/dbraw/zinc/45/97/66/822459766.db2.gz SILGDCMFJQTQPR-ZJUUUORDSA-N 1 0 383.113 4.149 20 0 GIADRO Cc1onc(-c2ccc(F)cc2)c1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000046321024 822461264 /nfs/dbraw/zinc/46/12/64/822461264.db2.gz RINAAZFBXHQCOG-UHFFFAOYSA-N 1 0 393.462 4.315 20 0 GIADRO CCCc1ncc(CNC(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)o1 ZINC000454361642 822462080 /nfs/dbraw/zinc/46/20/80/822462080.db2.gz KZLXAMGXSDIRJY-UHFFFAOYSA-N 1 0 398.551 4.391 20 0 GIADRO CO[C@H]1CCN(C(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)C[C@@H]1C ZINC000454364343 822462653 /nfs/dbraw/zinc/46/26/53/822462653.db2.gz MRKGKCVCRBEMHF-AVRDEDQJSA-N 1 0 387.568 4.018 20 0 GIADRO Cc1c([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)cnn1C ZINC000183362320 822463828 /nfs/dbraw/zinc/46/38/28/822463828.db2.gz QBIHYOLTZBAQNK-HZPDHXFCSA-N 1 0 378.476 4.199 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)N(Cc1ccco1)Cc1ccccc1)c1ccsc1 ZINC000046347197 822464594 /nfs/dbraw/zinc/46/45/94/822464594.db2.gz LCUJLQCBORQKTF-HXUWFJFHSA-N 1 0 383.517 4.356 20 0 GIADRO COc1ccc(NC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1Cc1ccccc1 ZINC000454377753 822465172 /nfs/dbraw/zinc/46/51/72/822465172.db2.gz WCIYRLUAXAVUQQ-DEOSSOPVSA-N 1 0 393.531 4.236 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)Nc1cc(F)ccc1OCC(F)(F)F ZINC000454379995 822465608 /nfs/dbraw/zinc/46/56/08/822465608.db2.gz RMIMMCAROMINBP-UHFFFAOYSA-N 1 0 379.398 4.009 20 0 GIADRO CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+][C@H](C)c2cccc3ccccc32)CC1 ZINC000183380145 822466173 /nfs/dbraw/zinc/46/61/73/822466173.db2.gz OQGDPSVOQWUAAS-QZTJIDSGSA-N 1 0 396.531 4.071 20 0 GIADRO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)[NH2+][C@@H](C)c1cccnc1 ZINC000183384506 822466808 /nfs/dbraw/zinc/46/68/08/822466808.db2.gz MDEVKLVYTMPWAG-OCCSQVGLSA-N 1 0 389.521 4.005 20 0 GIADRO Cc1cc(C(=O)CCC(=O)NCc2cccc(C[NH+]3CCCC3)c2)c(C)s1 ZINC000046374864 822467177 /nfs/dbraw/zinc/46/71/77/822467177.db2.gz WPTGTSZDMCKFQQ-UHFFFAOYSA-N 1 0 384.545 4.240 20 0 GIADRO O=C(N[C@@H]1CCc2cc(F)c(F)c(F)c21)NC1CC[NH+](CC2CCCC2)CC1 ZINC000454402944 822469812 /nfs/dbraw/zinc/46/98/12/822469812.db2.gz GTAHRPFMADGGSJ-QGZVFWFLSA-N 1 0 395.469 4.045 20 0 GIADRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)NC[C@@H]1CCCCC1(F)F ZINC000454406626 822470340 /nfs/dbraw/zinc/47/03/40/822470340.db2.gz HTELTWSQYWBYEP-INIZCTEOSA-N 1 0 385.524 4.085 20 0 GIADRO Cc1ccc(-c2cc(C(=O)Nc3ccc(N4CCC[N@@H+](C)CC4)cc3)on2)cc1 ZINC000046404080 822470702 /nfs/dbraw/zinc/47/07/02/822470702.db2.gz DENPIVDWXAFUJM-UHFFFAOYSA-N 1 0 390.487 4.044 20 0 GIADRO O=C(NC[C@@H]1C[C@H]1c1ccccc1)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000454411224 822471268 /nfs/dbraw/zinc/47/12/68/822471268.db2.gz HIDITJRCYMIBPC-LMNJBCLMSA-N 1 0 383.561 4.063 20 0 GIADRO C[C@@H](CNC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)[NH+]1CCCC1 ZINC000046408721 822471321 /nfs/dbraw/zinc/47/13/21/822471321.db2.gz QABBCCVNDZZHJN-AWEZNQCLSA-N 1 0 393.409 4.107 20 0 GIADRO CN(C)c1cc[nH+]cc1C(=O)N(C)CCCCCc1cc(-c2ccccc2)n[nH]1 ZINC000183416138 822471318 /nfs/dbraw/zinc/47/13/18/822471318.db2.gz WUXRDJLBNBBWDZ-UHFFFAOYSA-N 1 0 391.519 4.023 20 0 GIADRO Cc1cccc(N2CC[NH+](CCCNC(=S)Nc3c(C)cccc3C)CC2)c1 ZINC000046416731 822471511 /nfs/dbraw/zinc/47/15/11/822471511.db2.gz WJSRCRPIVQHJMD-UHFFFAOYSA-N 1 0 396.604 4.111 20 0 GIADRO Cc1cccc(N2CC[NH+](CCCNC(=S)Nc3cccc(C)c3C)CC2)c1 ZINC000046416736 822471534 /nfs/dbraw/zinc/47/15/34/822471534.db2.gz RXQSUDDQJWDQFJ-UHFFFAOYSA-N 1 0 396.604 4.111 20 0 GIADRO Cc1cc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(N3CCCC3=O)cc2)c(C)s1 ZINC000179372917 822473132 /nfs/dbraw/zinc/47/31/32/822473132.db2.gz MNAFNJAASMSTPH-CABCVRRESA-N 1 0 385.533 4.170 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)N2CC3(CCC3)[C@@H]2c2ccco2)[NH+]2CCCC2)o1 ZINC000454425418 822473531 /nfs/dbraw/zinc/47/35/31/822473531.db2.gz IHQZTURJVNASEP-XLIONFOSSA-N 1 0 383.492 4.255 20 0 GIADRO COc1cc(-c2ccccc2)ccc1C[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000183437369 822474936 /nfs/dbraw/zinc/47/49/36/822474936.db2.gz XUDVKXRTGIMESD-UHFFFAOYSA-N 1 0 378.516 4.339 20 0 GIADRO C[C@H](CCNC(=O)Nc1cccc(OCc2cccnc2)c1)[NH+]1CCCCC1 ZINC000183445925 822476161 /nfs/dbraw/zinc/47/61/61/822476161.db2.gz QTUVOWOVUFUKOU-GOSISDBHSA-N 1 0 382.508 4.047 20 0 GIADRO C[C@@H](C[NH2+][C@@H](c1ccccc1)c1ccc(F)cn1)N1CCc2sccc2C1 ZINC000183448577 822476593 /nfs/dbraw/zinc/47/65/93/822476593.db2.gz GDDRMXNULRAIKQ-AOMKIAJQSA-N 1 0 381.520 4.408 20 0 GIADRO COc1cc(-c2ccccc2)ccc1C[N@@H+]1CCC[C@H]([C@H](O)c2nccn2C)C1 ZINC000183449398 822476814 /nfs/dbraw/zinc/47/68/14/822476814.db2.gz NWAZBEQAQJDWFH-GMAHTHKFSA-N 1 0 391.515 4.041 20 0 GIADRO C[C@@H]([NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1)c1ccccc1O ZINC000183450973 822477024 /nfs/dbraw/zinc/47/70/24/822477024.db2.gz VYVSLRJYKCHLFU-CABCVRRESA-N 1 0 375.310 4.332 20 0 GIADRO Cc1ccc(NC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1OCC(F)F ZINC000183456218 822477699 /nfs/dbraw/zinc/47/76/99/822477699.db2.gz GEOJEKBNGDMAJV-HOTGVXAUSA-N 1 0 395.494 4.413 20 0 GIADRO Cc1cc2ncc([C@H](C)[NH2+]CCc3cc(Br)ccc3F)c(C)n2n1 ZINC000179408814 822478619 /nfs/dbraw/zinc/47/86/19/822478619.db2.gz QYOLNOZOJHBIHZ-LBPRGKRZSA-N 1 0 391.288 4.141 20 0 GIADRO FC(F)(F)c1cccc(C2(C[NH2+]Cc3cccc4nccn43)CCOCC2)c1 ZINC000179420217 822479928 /nfs/dbraw/zinc/47/99/28/822479928.db2.gz BYRUPGALHMWMKY-UHFFFAOYSA-N 1 0 389.421 4.191 20 0 GIADRO CN(C(=O)Nc1cccc(OC(F)F)c1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000454464643 822479907 /nfs/dbraw/zinc/47/99/07/822479907.db2.gz WFSXDSQPKZMOPU-UHFFFAOYSA-N 1 0 395.372 4.169 20 0 GIADRO C[NH+](C)CC1CCC(NC(=O)Nc2cc(F)c(OC(C)(C)C)c(F)c2)CC1 ZINC000183470091 822480054 /nfs/dbraw/zinc/48/00/54/822480054.db2.gz CIYDMMGQAWLEJU-UHFFFAOYSA-N 1 0 383.483 4.384 20 0 GIADRO COc1ccc(OC(C)C)c(NC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000183473900 822480932 /nfs/dbraw/zinc/48/09/32/822480932.db2.gz VRYXUFMDRUWZOI-IRXDYDNUSA-N 1 0 389.540 4.257 20 0 GIADRO Cn1cc(NC(=O)Nc2cccc(OCC[NH+](C)C)c2)c(C2CCCCC2)n1 ZINC000454476835 822481381 /nfs/dbraw/zinc/48/13/81/822481381.db2.gz HJNRXWZKHQAKKE-UHFFFAOYSA-N 1 0 385.512 4.052 20 0 GIADRO COc1ccc(-c2nc(C[N@@H+]3CCC[C@H](Cc4nccn4C)C3)cs2)cc1 ZINC000179430780 822481735 /nfs/dbraw/zinc/48/17/35/822481735.db2.gz ZENIXYYRJAMBNP-MRXNPFEDSA-N 1 0 382.533 4.007 20 0 GIADRO CC(C)Oc1ccc(NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000454480204 822482029 /nfs/dbraw/zinc/48/20/29/822482029.db2.gz LWKIDJCEWZLRBJ-UHFFFAOYSA-N 1 0 387.446 4.354 20 0 GIADRO CC[C@@H](C)[NH+]1CCN(C(=O)Nc2cc(NC(=O)c3ccccc3)ccc2C)CC1 ZINC000454487960 822483418 /nfs/dbraw/zinc/48/34/18/822483418.db2.gz KKDALXZNRQOLHU-GOSISDBHSA-N 1 0 394.519 4.195 20 0 GIADRO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(-c3ccc(Br)cc3)o2)C1 ZINC000179444340 822483902 /nfs/dbraw/zinc/48/39/02/822483902.db2.gz AJNGLJIBYRJLLT-OAHLLOKOSA-N 1 0 391.309 4.009 20 0 GIADRO Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)cc1 ZINC000179449012 822484720 /nfs/dbraw/zinc/48/47/20/822484720.db2.gz UFDNNSGARACZEU-KRWDZBQOSA-N 1 0 384.524 4.074 20 0 GIADRO Cc1ccccc1NC(=O)C[C@H](C)[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000179456354 822485925 /nfs/dbraw/zinc/48/59/25/822485925.db2.gz ABOZFRMAQJSPCP-INIZCTEOSA-N 1 0 381.451 4.339 20 0 GIADRO CCc1nc2c(s1)[C@H](N(C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)CCC2 ZINC000179460865 822486346 /nfs/dbraw/zinc/48/63/46/822486346.db2.gz MLBOIUVUBDFQPM-ILZDJORESA-N 1 0 398.576 4.170 20 0 GIADRO CCc1nn(C)c(OC)c1C[NH2+][C@@H]1C[C@@H](C)c2c1cccc2Br ZINC000179466689 822486827 /nfs/dbraw/zinc/48/68/27/822486827.db2.gz GBIUPZHPCIXECC-BDJLRTHQSA-N 1 0 378.314 4.092 20 0 GIADRO CCOc1cc(C[N@@H+]2CCC[C@H](n3cncn3)C2)ccc1OCc1ccccc1 ZINC000179467514 822486970 /nfs/dbraw/zinc/48/69/70/822486970.db2.gz JNVLCHYBLLIYMC-NRFANRHFSA-N 1 0 392.503 4.093 20 0 GIADRO COC(=O)COc1ccccc1[C@@H](C)[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000183509689 822487835 /nfs/dbraw/zinc/48/78/35/822487835.db2.gz WYNSAYIZWSSLBN-ZIAGYGMSSA-N 1 0 392.293 4.413 20 0 GIADRO C[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1)c1nc(-c2ccccc2)no1 ZINC000179477709 822488174 /nfs/dbraw/zinc/48/81/74/822488174.db2.gz BPPVISMEYDPHRS-HOTGVXAUSA-N 1 0 392.459 4.148 20 0 GIADRO C[C@H](NC(=O)Nc1cc(F)ccc1Br)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183516909 822488785 /nfs/dbraw/zinc/48/87/85/822488785.db2.gz SZTJWVFBIPJUCB-QWHCGFSZSA-N 1 0 398.320 4.363 20 0 GIADRO COc1cc([C@@H](C)[NH2+]C[C@H](C)c2nc(-c3ccccc3)no2)cc(OC)c1OC ZINC000179479363 822488820 /nfs/dbraw/zinc/48/88/20/822488820.db2.gz MZIZWYIBAAJWNW-LSDHHAIUSA-N 1 0 397.475 4.217 20 0 GIADRO C[NH+](C)CCN(Cc1ccco1)C(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1 ZINC000183515790 822488831 /nfs/dbraw/zinc/48/88/31/822488831.db2.gz VFZIKBCPMCHGKT-UHFFFAOYSA-N 1 0 395.450 4.331 20 0 GIADRO CC(C)c1nccn1Cc1cccc(NC(=O)NCCCC[N@H+](C)C2CC2)c1 ZINC000454516775 822489216 /nfs/dbraw/zinc/48/92/16/822489216.db2.gz UHNJAEMRWFXUQC-UHFFFAOYSA-N 1 0 383.540 4.051 20 0 GIADRO C[C@H](NC(=O)Nc1ccccc1OCC(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183522460 822489518 /nfs/dbraw/zinc/48/95/18/822489518.db2.gz OWBISOQLCOXMIO-GJZGRUSLSA-N 1 0 381.467 4.105 20 0 GIADRO CCN(CC)[C@@H](C[NH2+]C1CCN(c2nccs2)CC1)c1ccccc1Cl ZINC000183530853 822490722 /nfs/dbraw/zinc/49/07/22/822490722.db2.gz QVEFJXQLLQKQRB-IBGZPJMESA-N 1 0 393.000 4.438 20 0 GIADRO CC(C)c1nccn1Cc1cccc(NC(=O)NC(C)(C)C[NH+]2CCCC2)c1 ZINC000454521419 822490830 /nfs/dbraw/zinc/49/08/30/822490830.db2.gz YOGZMEHUAHWBDU-UHFFFAOYSA-N 1 0 383.540 4.051 20 0 GIADRO CC(C)(C)NC(=O)c1cccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000046605061 822490929 /nfs/dbraw/zinc/49/09/29/822490929.db2.gz WREXMHQJGNAHRZ-UHFFFAOYSA-N 1 0 393.531 4.453 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@@H]2CCCN(Cc3ccccc3)C2=O)ccc1SC ZINC000179496861 822491183 /nfs/dbraw/zinc/49/11/83/822491183.db2.gz YLHRZBSNYFWJOV-VQIMIIECSA-N 1 0 384.545 4.259 20 0 GIADRO CC(C)[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(F)c(F)c1 ZINC000179497263 822491189 /nfs/dbraw/zinc/49/11/89/822491189.db2.gz DEYWEQNLWHEEIU-VBKZILBWSA-N 1 0 396.503 4.263 20 0 GIADRO Cc1c(NC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cnn1-c1ccccc1F ZINC000183534671 822491280 /nfs/dbraw/zinc/49/12/80/822491280.db2.gz SKZXMTUKWZAIQC-WBVHZDCISA-N 1 0 399.514 4.094 20 0 GIADRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]CCc2nc(C(F)(F)F)cs2)CC1 ZINC000183538052 822491730 /nfs/dbraw/zinc/49/17/30/822491730.db2.gz PYIIASLJFAQCMY-LBPRGKRZSA-N 1 0 393.475 4.084 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3ccccc3F)C2)cc1NC(C)=O ZINC000179500230 822492121 /nfs/dbraw/zinc/49/21/21/822492121.db2.gz VCXJHRODLZGFKI-QAPCUYQASA-N 1 0 385.483 4.112 20 0 GIADRO C[C@@H](NC(=O)Nc1ccc2[nH]c(C(F)F)nc2c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183540367 822492243 /nfs/dbraw/zinc/49/22/43/822492243.db2.gz BCWRDUHNYRZTCI-CHWSQXEVSA-N 1 0 391.466 4.275 20 0 GIADRO CCOc1cc(/C=C/C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)ccc1O ZINC000179503057 822492511 /nfs/dbraw/zinc/49/25/11/822492511.db2.gz BMUVZKJQBMFATI-KSEUIEODSA-N 1 0 394.515 4.146 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000179503989 822492528 /nfs/dbraw/zinc/49/25/28/822492528.db2.gz YYJAQEMCUPLIRY-HXPMCKFVSA-N 1 0 391.874 4.147 20 0 GIADRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C[C@H](O)c2cc3ccccc3s2)CC1 ZINC000183556787 822494437 /nfs/dbraw/zinc/49/44/37/822494437.db2.gz QVCGZFPGSNJKAU-SJORKVTESA-N 1 0 390.549 4.314 20 0 GIADRO COc1c(F)cc(NC(=O)NC[C@H](c2ccc(SC)cc2)[NH+](C)C)cc1F ZINC000454544877 822494547 /nfs/dbraw/zinc/49/45/47/822494547.db2.gz NJNVONAIPZKFON-QGZVFWFLSA-N 1 0 395.475 4.120 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@@H](C)Cn2ncc3ccccc3c2=O)c2ccccc12 ZINC000179515432 822494604 /nfs/dbraw/zinc/49/46/04/822494604.db2.gz JKXYSEYLOFHGOA-IRXDYDNUSA-N 1 0 387.483 4.298 20 0 GIADRO C[C@H]([NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1noc(-c2ccccc2)n1 ZINC000183562823 822495064 /nfs/dbraw/zinc/49/50/64/822495064.db2.gz CCIRVRYTHQFHBL-RDJZCZTQSA-N 1 0 386.496 4.177 20 0 GIADRO COc1cc(OC)c(CC[NH2+][C@H](c2ccccc2)c2ccc(F)cn2)c(OC)c1 ZINC000183566365 822495527 /nfs/dbraw/zinc/49/55/27/822495527.db2.gz NKWQOAUURNIIML-HSZRJFAPSA-N 1 0 396.462 4.168 20 0 GIADRO C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000179518045 822495528 /nfs/dbraw/zinc/49/55/28/822495528.db2.gz BLJYYUKQDHPRNJ-UGSOOPFHSA-N 1 0 385.920 4.265 20 0 GIADRO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+][C@H](C)Cn1ncc2ccccc2c1=O ZINC000179518174 822495718 /nfs/dbraw/zinc/49/57/18/822495718.db2.gz IFEYOOLQQSNMJD-ZIAGYGMSSA-N 1 0 384.549 4.198 20 0 GIADRO CC(C)Cn1ncc(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)c1C(F)F ZINC000179518186 822495748 /nfs/dbraw/zinc/49/57/48/822495748.db2.gz XRSQITXPPGUVFV-UHFFFAOYSA-N 1 0 396.526 4.205 20 0 GIADRO O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000179519323 822495896 /nfs/dbraw/zinc/49/58/96/822495896.db2.gz NZDSSHVYXITMIW-DLBZAZTESA-N 1 0 387.421 4.089 20 0 GIADRO CC(C)(C)OC(=O)c1ccc(C[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)cc1 ZINC000179519510 822495999 /nfs/dbraw/zinc/49/59/99/822495999.db2.gz QSAYBDNTNYVLQI-SFHVURJKSA-N 1 0 382.508 4.017 20 0 GIADRO C[C@@H]1CN(C(=O)Nc2ccc(Br)cc2C(F)(F)F)C[C@H](C)[N@H+]1C ZINC000454555469 822496098 /nfs/dbraw/zinc/49/60/98/822496098.db2.gz XUMJMASWGOHPOU-AOOOYVTPSA-N 1 0 394.235 4.024 20 0 GIADRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2oc3ccccc3c2C)c(OC)c1 ZINC000183573602 822496458 /nfs/dbraw/zinc/49/64/58/822496458.db2.gz NNDUIOVDTRGGDV-HUUCEWRRSA-N 1 0 382.460 4.436 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+][C@@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)s1 ZINC000179524117 822496777 /nfs/dbraw/zinc/49/67/77/822496777.db2.gz FSQANUMWUMXKOG-QHLBDZCJSA-N 1 0 395.519 4.015 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+][C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)s1 ZINC000179525373 822496882 /nfs/dbraw/zinc/49/68/82/822496882.db2.gz DCUOFWLCIAEERU-TZMCWYRMSA-N 1 0 397.947 4.362 20 0 GIADRO C[C@@H]([NH2+]C[C@H](O)c1cccc(Br)c1)c1cccc(-n2cccn2)c1 ZINC000183581122 822497307 /nfs/dbraw/zinc/49/73/07/822497307.db2.gz QTVWHNJNCPUCLZ-KUHUBIRLSA-N 1 0 386.293 4.019 20 0 GIADRO Cc1nc(C(F)(F)F)c(C[N@@H+](C)C2CCN(C(=O)OC(C)(C)C)CC2)s1 ZINC000183602305 822499886 /nfs/dbraw/zinc/49/98/86/822499886.db2.gz RPOBUUABZZIQHM-UHFFFAOYSA-N 1 0 393.475 4.302 20 0 GIADRO CC(C)(C)OC(=O)C1CCC([NH2+]CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000179547687 822501128 /nfs/dbraw/zinc/50/11/28/822501128.db2.gz KYXOJCNHRGPKIZ-AOCRQIFASA-N 1 0 396.572 4.124 20 0 GIADRO Cc1ccc(NC(=O)NC(C)(C)CCC[NH+](C)C)c(OCC(F)(F)F)c1 ZINC000454585399 822501374 /nfs/dbraw/zinc/50/13/74/822501374.db2.gz RSLPLMWNWBVUET-UHFFFAOYSA-N 1 0 375.435 4.178 20 0 GIADRO Cc1c2ccccc2oc1[C@H](C)[NH2+][C@H](C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000183614825 822501503 /nfs/dbraw/zinc/50/15/03/822501503.db2.gz HPSDZRIRDYSJHR-FRQCXROJSA-N 1 0 378.472 4.420 20 0 GIADRO O=C(c1csc(-c2ccc(F)c(F)c2)n1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000183623420 822502771 /nfs/dbraw/zinc/50/27/71/822502771.db2.gz GOXTUSBBAZPGER-HNNXBMFYSA-N 1 0 391.487 4.179 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@H](C)c2cccc(F)c2F)c1 ZINC000179559015 822503465 /nfs/dbraw/zinc/50/34/65/822503465.db2.gz NREBXCAGFKGYIX-QWHCGFSZSA-N 1 0 378.419 4.050 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)Cc1c(F)cccc1F ZINC000454597980 822503765 /nfs/dbraw/zinc/50/37/65/822503765.db2.gz CSPLYADWTZHBSZ-KKSFZXQISA-N 1 0 387.474 4.017 20 0 GIADRO CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3sc(C)nc3C(F)(F)F)ccc2NC1=O ZINC000183644604 822505630 /nfs/dbraw/zinc/50/56/30/822505630.db2.gz GHZFRYLMHGXYBW-TVQRCGJNSA-N 1 0 399.438 4.431 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@@H]1CCCCC1(F)F ZINC000454610397 822505759 /nfs/dbraw/zinc/50/57/59/822505759.db2.gz JEAIQQIODFVAFH-NEWSRXKRSA-N 1 0 379.495 4.022 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1ccc(N2CCCC2)cc1)c1cccc(OC(F)F)c1 ZINC000179574946 822505926 /nfs/dbraw/zinc/50/59/26/822505926.db2.gz XSDQVLSXYPSPFZ-HNNXBMFYSA-N 1 0 389.446 4.178 20 0 GIADRO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2cccc(OC(F)F)c2)cc1Cl ZINC000179578558 822506413 /nfs/dbraw/zinc/50/64/13/822506413.db2.gz UHSMWPSKGZZEOO-NSHDSACASA-N 1 0 384.810 4.239 20 0 GIADRO C[C@H]([NH2+]CC(=O)N1CCSc2ccccc21)c1cccc(OC(F)F)c1 ZINC000179580257 822506633 /nfs/dbraw/zinc/50/66/33/822506633.db2.gz ZRCKRAADDOLWKU-ZDUSSCGKSA-N 1 0 378.444 4.078 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)CCc3ccc4[nH]ccc4c3)c(C)c2)CC1 ZINC000179584788 822507026 /nfs/dbraw/zinc/50/70/26/822507026.db2.gz OXIYDNHYSMOLMX-UHFFFAOYSA-N 1 0 390.531 4.190 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1cccc(OC(F)F)c1)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000179584090 822507087 /nfs/dbraw/zinc/50/70/87/822507087.db2.gz QCSDKWQSPAZVOX-IHRRRGAJSA-N 1 0 380.410 4.344 20 0 GIADRO COc1ccc(Cl)c(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)c1 ZINC000454619397 822507503 /nfs/dbraw/zinc/50/75/03/822507503.db2.gz SPSSPWXSNUMQDT-MRXNPFEDSA-N 1 0 387.911 4.334 20 0 GIADRO Cc1ccc(C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)c(Sc2ccccc2)c1 ZINC000183665611 822507888 /nfs/dbraw/zinc/50/78/88/822507888.db2.gz BEQYHDBUWFKIRE-IBGZPJMESA-N 1 0 398.572 4.113 20 0 GIADRO CN(Cc1ccccc1)c1ccccc1NC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000454623104 822508124 /nfs/dbraw/zinc/50/81/24/822508124.db2.gz CDAJAOPQTCAMCU-DEOSSOPVSA-N 1 0 392.547 4.273 20 0 GIADRO CSc1cccc(NC(=O)C[NH2+][C@@H](C)c2ccc(-n3ccnc3C)cc2)c1 ZINC000183671955 822509009 /nfs/dbraw/zinc/50/90/09/822509009.db2.gz HUYIVFTYYDOZPW-HNNXBMFYSA-N 1 0 380.517 4.192 20 0 GIADRO C[C@@H](Oc1ccccc1Cl)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000046729317 822510611 /nfs/dbraw/zinc/51/06/11/822510611.db2.gz MWYXAHLJTBNZAV-ZBFHGGJFSA-N 1 0 378.925 4.122 20 0 GIADRO CC1CC[NH+](CCCCNC(=O)Nc2cccc(OCC(F)(F)F)c2)CC1 ZINC000046735894 822511432 /nfs/dbraw/zinc/51/14/32/822511432.db2.gz WJSYGLMZKGUHFF-UHFFFAOYSA-N 1 0 387.446 4.261 20 0 GIADRO CCOCc1cc(C[NH+]2CCC(NC(=O)Nc3ccccc3)CC2)ccc1OC ZINC000179606447 822511658 /nfs/dbraw/zinc/51/16/58/822511658.db2.gz BVJJLQFSRQPEFI-UHFFFAOYSA-N 1 0 397.519 4.018 20 0 GIADRO CC(C)[C@@H]([NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1)c1ccccc1Cl ZINC000183693336 822512740 /nfs/dbraw/zinc/51/27/40/822512740.db2.gz UEIAQQLCTNREGK-LJQANCHMSA-N 1 0 376.287 4.488 20 0 GIADRO CC[NH+](CC)CCOc1cc(NC(=O)N2CC[C@@H](CC3CC3)C2)ccc1OC ZINC000454661436 822513700 /nfs/dbraw/zinc/51/37/00/822513700.db2.gz XACXYAGLQBQTCI-SFHVURJKSA-N 1 0 389.540 4.070 20 0 GIADRO O=C1CCCCN1C1CC[NH+]([C@@H]2CCCc3ccc(Br)cc32)CC1 ZINC000179618079 822513770 /nfs/dbraw/zinc/51/37/70/822513770.db2.gz XJJVAJUHTNICEM-LJQANCHMSA-N 1 0 391.353 4.303 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)Nc2cn(-c3ccccc3)nc2C)[NH+]2CCCC2)o1 ZINC000183701717 822513886 /nfs/dbraw/zinc/51/38/86/822513886.db2.gz JWGWFAHKUPSPAT-HXUWFJFHSA-N 1 0 393.491 4.041 20 0 GIADRO CC(=O)N(c1nc(C[NH2+][C@H](CCO)C2CCCCC2)cs1)c1ccccc1 ZINC000183703224 822514031 /nfs/dbraw/zinc/51/40/31/822514031.db2.gz SOWYKIZUPMXTBD-HXUWFJFHSA-N 1 0 387.549 4.249 20 0 GIADRO COc1cc(C)c([C@H](C)[NH2+]CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)cc1OC ZINC000179619950 822514203 /nfs/dbraw/zinc/51/42/03/822514203.db2.gz IOTFCNAEZOCOFE-HOTGVXAUSA-N 1 0 388.483 4.022 20 0 GIADRO CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@@H](c2ccccc2Cl)C(C)C)cc1 ZINC000183703793 822514356 /nfs/dbraw/zinc/51/43/56/822514356.db2.gz BWJUQUKTDGBRJM-DYESRHJHSA-N 1 0 390.911 4.025 20 0 GIADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)Nc3ccc(OCc4ccccc4F)cc3)C2)C1 ZINC000454669180 822514851 /nfs/dbraw/zinc/51/48/51/822514851.db2.gz YFFBRBCXZFPKNV-HSZRJFAPSA-N 1 0 397.494 4.354 20 0 GIADRO COc1cccc(NC(=O)C[NH2+][C@H](C)c2sc(-c3ccccc3)nc2C)c1 ZINC000183710685 822515117 /nfs/dbraw/zinc/51/51/17/822515117.db2.gz LLXDHNVEFPEGJA-CQSZACIVSA-N 1 0 381.501 4.416 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cccc(-c3ccc4c(c3)CCO4)c2)CC[N@@H+]1C ZINC000179637827 822517400 /nfs/dbraw/zinc/51/74/00/822517400.db2.gz WSGUPOCUKAQKIU-IERDGZPVSA-N 1 0 379.504 4.235 20 0 GIADRO O=C1OCCN1c1ccc(C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)cc1 ZINC000183728443 822517653 /nfs/dbraw/zinc/51/76/53/822517653.db2.gz YSSNNXALXNWUDV-OAQYLSRUSA-N 1 0 378.472 4.135 20 0 GIADRO Cc1cc(OCc2cccc(Cl)c2)ccc1NC(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000454697926 822518931 /nfs/dbraw/zinc/51/89/31/822518931.db2.gz KDANYYWPQRWYNR-QGZVFWFLSA-N 1 0 387.911 4.301 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(N2CCOC2=O)cc1)c1cc(Br)ccc1F ZINC000183736847 822519420 /nfs/dbraw/zinc/51/94/20/822519420.db2.gz ALGYKOVIIOSXFS-LBPRGKRZSA-N 1 0 393.256 4.396 20 0 GIADRO Cn1cc(C[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)c(C2CCCCC2)n1 ZINC000183739225 822519623 /nfs/dbraw/zinc/51/96/23/822519623.db2.gz FQRIRNOIPDZNFU-SFHVURJKSA-N 1 0 381.442 4.310 20 0 GIADRO Cc1nn(-c2ccccc2)cc1NC(=O)N(CC[NH+](C)C)Cc1cccc(C)c1 ZINC000183746659 822521530 /nfs/dbraw/zinc/52/15/30/822521530.db2.gz MIIQPTFNSIFWCQ-UHFFFAOYSA-N 1 0 391.519 4.085 20 0 GIADRO COC(=O)COc1ccccc1[C@H](C)[NH2+]Cc1ccc(Br)cc1C ZINC000183755987 822523064 /nfs/dbraw/zinc/52/30/64/822523064.db2.gz MJWBTQDMTAARHY-AWEZNQCLSA-N 1 0 392.293 4.160 20 0 GIADRO CCC(CC)n1nc(C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1C ZINC000179667190 822523455 /nfs/dbraw/zinc/52/34/55/822523455.db2.gz IUSDJBUFNQTXLO-IBGZPJMESA-N 1 0 382.552 4.289 20 0 GIADRO O=C(C[NH2+]C1(c2cccc(Cl)c2)CC1)Nc1ccccc1Br ZINC000179668523 822523651 /nfs/dbraw/zinc/52/36/51/822523651.db2.gz MXIYOSXJDCOTEI-UHFFFAOYSA-N 1 0 379.685 4.320 20 0 GIADRO CCC1(CNC(=O)NCc2cnc(C3CC3)o2)CC[NH+](Cc2ccccc2)CC1 ZINC000454725716 822523971 /nfs/dbraw/zinc/52/39/71/822523971.db2.gz YIITXGSUCGFKQG-UHFFFAOYSA-N 1 0 396.535 4.044 20 0 GIADRO Cc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)nn1-c1ccc(Cl)cc1Cl ZINC000179674324 822524567 /nfs/dbraw/zinc/52/45/67/822524567.db2.gz JGHKHNSPFQIFJD-IUODEOHRSA-N 1 0 395.334 4.042 20 0 GIADRO Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000183769201 822525710 /nfs/dbraw/zinc/52/57/10/822525710.db2.gz VMKKONUZDLQMIB-KRWDZBQOSA-N 1 0 397.567 4.103 20 0 GIADRO C[C@@H](CCNC(=O)Nc1c(F)cc(Br)cc1F)[NH+]1CCCCC1 ZINC000183772974 822526229 /nfs/dbraw/zinc/52/62/29/822526229.db2.gz FCKJRWORPWSXKR-NSHDSACASA-N 1 0 390.272 4.113 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)c1c(F)cccc1Cl ZINC000046890210 822526864 /nfs/dbraw/zinc/52/68/64/822526864.db2.gz RYHMWKGUHWHHFQ-UHFFFAOYSA-N 1 0 378.875 4.130 20 0 GIADRO Cc1cccc(OC[C@@H](O)C[NH2+][C@H](C)c2cccc(OCc3ccccn3)c2)c1 ZINC000179686579 822527202 /nfs/dbraw/zinc/52/72/02/822527202.db2.gz BDRPZCQZSRPSJG-KNQAVFIVSA-N 1 0 392.499 4.060 20 0 GIADRO COc1ccc([C@H]([NH2+][C@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)C2CC2)cc1 ZINC000179687024 822527404 /nfs/dbraw/zinc/52/74/04/822527404.db2.gz AMKMRYNUOSXACA-UZUQRXQVSA-N 1 0 393.531 4.363 20 0 GIADRO CC(C)c1cc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)nn1C(C)(C)C ZINC000046897167 822527913 /nfs/dbraw/zinc/52/79/13/822527913.db2.gz UNIBWAFSORQKNC-UHFFFAOYSA-N 1 0 382.552 4.156 20 0 GIADRO C[C@H]([NH2+]CC(=O)N1[C@@H](C)CCC[C@@H]1C)c1cccc(OCc2ccccn2)c1 ZINC000179692561 822528468 /nfs/dbraw/zinc/52/84/68/822528468.db2.gz TYLZPWRWXMPPTK-FHWLQOOXSA-N 1 0 381.520 4.101 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCC1)N1CCC(Cc2ccccc2)CC1 ZINC000046918643 822530590 /nfs/dbraw/zinc/53/05/90/822530590.db2.gz YPUHQMCOZJXNTH-UHFFFAOYSA-N 1 0 391.559 4.447 20 0 GIADRO COc1cc([C@H](C)[NH2+]C[C@@H](O)c2ccccc2F)ccc1OCc1ccncc1 ZINC000179703084 822531071 /nfs/dbraw/zinc/53/10/71/822531071.db2.gz BFYPEJXLLSMJAI-HRAATJIYSA-N 1 0 396.462 4.193 20 0 GIADRO C[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cccnc1Oc1cccc(S(C)(=O)=O)c1 ZINC000183814518 822531110 /nfs/dbraw/zinc/53/11/10/822531110.db2.gz XRDZXMZCXZUTAA-IAGOWNOFSA-N 1 0 388.533 4.193 20 0 GIADRO COc1cc([C@@H](C)[NH2+]CC2(O)CCC(C)CC2)ccc1OCc1ccncc1 ZINC000179706289 822531784 /nfs/dbraw/zinc/53/17/84/822531784.db2.gz YNVNFYSYLVCGEI-FRIYVGAWSA-N 1 0 384.520 4.261 20 0 GIADRO COc1ccc(CC(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1OC ZINC000046934205 822532430 /nfs/dbraw/zinc/53/24/30/822532430.db2.gz QMAKZGCBQUTMKX-KRWDZBQOSA-N 1 0 382.504 4.117 20 0 GIADRO Cc1ccccc1CCN(C)C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000454781135 822533000 /nfs/dbraw/zinc/53/30/00/822533000.db2.gz XUDQQAGMTTVPKZ-OFNKIYASSA-N 1 0 379.548 4.090 20 0 GIADRO Brc1ccc2[nH]c(C[NH2+]Cc3cnn(-c4ccccc4)c3)cc2c1 ZINC000183827968 822533123 /nfs/dbraw/zinc/53/31/23/822533123.db2.gz OMKVWKNNZINBIC-UHFFFAOYSA-N 1 0 381.277 4.406 20 0 GIADRO C[NH+](C)CC(C)(C)NC(=O)Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1 ZINC000454782651 822533153 /nfs/dbraw/zinc/53/31/53/822533153.db2.gz IMNBAJQEDSJNCE-UHFFFAOYSA-N 1 0 396.413 4.354 20 0 GIADRO Cc1ccc(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)cc1NC(=O)c1ccco1 ZINC000046948845 822533572 /nfs/dbraw/zinc/53/35/72/822533572.db2.gz LRKKWGAODXPGBT-HXUWFJFHSA-N 1 0 397.519 4.081 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 ZINC000454787542 822534031 /nfs/dbraw/zinc/53/40/31/822534031.db2.gz NZEMCUVEPSDRHL-UHFFFAOYSA-N 1 0 397.445 4.133 20 0 GIADRO Cc1ccc2c(C[NH2+][C@H](c3ccc4c(c3)OCCO4)C3CC3)cc(=O)oc2c1C ZINC000179726490 822536267 /nfs/dbraw/zinc/53/62/67/822536267.db2.gz NNGBVXBVQDGLKA-QHCPKHFHSA-N 1 0 391.467 4.422 20 0 GIADRO Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000046996364 822536535 /nfs/dbraw/zinc/53/65/35/822536535.db2.gz YZNRPIZHAAKXDE-JKSUJKDBSA-N 1 0 375.925 4.129 20 0 GIADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cccc(CSC2CCOCC2)c1 ZINC000454806787 822537845 /nfs/dbraw/zinc/53/78/45/822537845.db2.gz OIOIQZKERXBRKO-IBGZPJMESA-N 1 0 391.581 4.095 20 0 GIADRO C[C@H](NC(=O)C[NH2+][C@H](CCCO)c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000179734357 822538249 /nfs/dbraw/zinc/53/82/49/822538249.db2.gz KVIDKIDBWKWVES-IFXJQAMLSA-N 1 0 395.330 4.274 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1scnc1C1CCCC1 ZINC000183878653 822539585 /nfs/dbraw/zinc/53/95/85/822539585.db2.gz JGWXSMNNKRSLSH-UHFFFAOYSA-N 1 0 399.560 4.257 20 0 GIADRO CC(C)(C)OC(=O)N1CC[C@@H](C[NH+]2CCC(OCc3ccc(F)cc3)CC2)C1 ZINC000179739463 822539878 /nfs/dbraw/zinc/53/98/78/822539878.db2.gz XUHBNVSFKQYYJT-SFHVURJKSA-N 1 0 392.515 4.064 20 0 GIADRO C[C@H]1CCN(C(=O)C[NH2+][C@H](CCCO)c2ccccc2)c2ccccc2S1 ZINC000179748134 822541983 /nfs/dbraw/zinc/54/19/83/822541983.db2.gz OZGUOCQQMBEQAH-PKOBYXMFSA-N 1 0 384.545 4.007 20 0 GIADRO CCN(C(=O)[C@H](C)[NH+]1CCC(OCc2ccccc2OC)CC1)c1ccccc1 ZINC000179750311 822542446 /nfs/dbraw/zinc/54/24/46/822542446.db2.gz IHTCTAZKZJRMDR-IBGZPJMESA-N 1 0 396.531 4.118 20 0 GIADRO COc1ccc(C[NH+]2CCC(C(=O)NCc3ccccc3)CC2)c2ccccc12 ZINC000179750269 822542466 /nfs/dbraw/zinc/54/24/66/822542466.db2.gz HBHANCCNPASVNF-UHFFFAOYSA-N 1 0 388.511 4.377 20 0 GIADRO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[NH2+][C@H](CCCO)c1ccccc1 ZINC000179753060 822543076 /nfs/dbraw/zinc/54/30/76/822543076.db2.gz BMNKRTANGCLELJ-FXAWDEMLSA-N 1 0 380.488 4.056 20 0 GIADRO COc1ccccc1COC1CC[NH+](Cc2cnc3c(cnn3C(C)C)c2)CC1 ZINC000179753296 822543358 /nfs/dbraw/zinc/54/33/58/822543358.db2.gz KBJUEIIMBMESKC-UHFFFAOYSA-N 1 0 394.519 4.202 20 0 GIADRO O=C(N[C@@H](c1ccccc1)C1CCCCC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000047094855 822544209 /nfs/dbraw/zinc/54/42/09/822544209.db2.gz CVQUYMWYKPIQEM-QFIPXVFZSA-N 1 0 378.520 4.235 20 0 GIADRO CCc1noc(C2CCC([NH2+]CCc3ccccc3OC(F)(F)F)CC2)n1 ZINC000183908334 822544224 /nfs/dbraw/zinc/54/42/24/822544224.db2.gz ZBNTYVVGPDQWEI-UHFFFAOYSA-N 1 0 383.414 4.389 20 0 GIADRO CCc1noc(C2CCC([NH2+]CCOc3ncc(Cl)cc3Cl)CC2)n1 ZINC000183909336 822544458 /nfs/dbraw/zinc/54/44/58/822544458.db2.gz VVAZVMKNWDSJDB-UHFFFAOYSA-N 1 0 385.295 4.029 20 0 GIADRO Cc1oc2ccccc2c1C[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000183910841 822544649 /nfs/dbraw/zinc/54/46/49/822544649.db2.gz JTQPFKZQLULCHX-UHFFFAOYSA-N 1 0 375.428 4.192 20 0 GIADRO CC(C)N(C(=O)C[NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1)c1ccccc1 ZINC000179760550 822545164 /nfs/dbraw/zinc/54/51/64/822545164.db2.gz XDAFEHKHXXKJKS-KRWDZBQOSA-N 1 0 379.504 4.127 20 0 GIADRO CCN(Cc1ccccc1)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000179760462 822545171 /nfs/dbraw/zinc/54/51/71/822545171.db2.gz NZYSVLDFJDLINL-ROUUACIJSA-N 1 0 393.531 4.123 20 0 GIADRO Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000179760858 822545336 /nfs/dbraw/zinc/54/53/36/822545336.db2.gz ORVQFROJTINDNA-DYESRHJHSA-N 1 0 396.535 4.382 20 0 GIADRO C[C@@H]1CCc2c(F)cccc2[C@@H]1Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000179760691 822545405 /nfs/dbraw/zinc/54/54/05/822545405.db2.gz MOOMFMKUNNKQHO-WAIKUNEKSA-N 1 0 395.522 4.259 20 0 GIADRO CC1CCC(N(C(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)C2CC2)CC1 ZINC000179761177 822545635 /nfs/dbraw/zinc/54/56/35/822545635.db2.gz VEAQWEBFOZKOKU-UHFFFAOYSA-N 1 0 384.564 4.074 20 0 GIADRO CCn1c(C[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)nc2cc(F)ccc21 ZINC000179766513 822547668 /nfs/dbraw/zinc/54/76/68/822547668.db2.gz UMXFQSLPBKTKDP-AWEZNQCLSA-N 1 0 380.467 4.395 20 0 GIADRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)CCc3nnc(-c4ccccc4)o3)c2C1 ZINC000179767033 822547992 /nfs/dbraw/zinc/54/79/92/822547992.db2.gz UQXIMJDRPQYFAE-UHFFFAOYSA-N 1 0 390.487 4.280 20 0 GIADRO C[C@@H](Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)c1ccc(F)cc1Cl ZINC000179768393 822548780 /nfs/dbraw/zinc/54/87/80/822548780.db2.gz ALJAYKSNGKOYLH-CQSZACIVSA-N 1 0 389.902 4.350 20 0 GIADRO NC(=O)C1CC[NH+](Cc2cccc(N[C@H]3CCc4cc(Cl)ccc43)c2)CC1 ZINC000179771010 822549256 /nfs/dbraw/zinc/54/92/56/822549256.db2.gz GZIYUBSOACEAHV-NRFANRHFSA-N 1 0 383.923 4.137 20 0 GIADRO Cc1ccc([C@H](C)NC(=O)C[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1C ZINC000179773198 822549780 /nfs/dbraw/zinc/54/97/80/822549780.db2.gz NBNSPDWDVHDKSQ-ROUUACIJSA-N 1 0 393.531 4.180 20 0 GIADRO CC(C)[C@H](NC(=O)C[NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1)c1ccccc1 ZINC000179773476 822549997 /nfs/dbraw/zinc/54/99/97/822549997.db2.gz PMGNJYSMJGRLBR-SBUREZEXSA-N 1 0 393.531 4.199 20 0 GIADRO Cc1ccc2c(c1)[C@H](Nc1cccc(C[NH+]3CCC(C(N)=O)CC3)c1)CCC2 ZINC000179774084 822550028 /nfs/dbraw/zinc/55/00/28/822550028.db2.gz DXYAXISYHRAUNL-HSZRJFAPSA-N 1 0 377.532 4.182 20 0 GIADRO Cc1cccc(C[C@@H](Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)C2CC2)c1 ZINC000179775460 822550404 /nfs/dbraw/zinc/55/04/04/822550404.db2.gz KLNMICAABIJBIN-XMMPIXPASA-N 1 0 391.559 4.126 20 0 GIADRO Fc1cc(-c2ccncc2)ccc1C[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000179776523 822550639 /nfs/dbraw/zinc/55/06/39/822550639.db2.gz DZEOFOULIWSSQY-HXUWFJFHSA-N 1 0 387.462 4.310 20 0 GIADRO COC[C@H](Cc1ccccc1)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC000179782139 822551967 /nfs/dbraw/zinc/55/19/67/822551967.db2.gz JCQCHVQLCVTQPE-FQEVSTJZSA-N 1 0 385.527 4.026 20 0 GIADRO Cc1cnc(C(C)(C)[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)s1 ZINC000183953425 822553190 /nfs/dbraw/zinc/55/31/90/822553190.db2.gz CPNAAVSGJNITFI-GFCCVEGCSA-N 1 0 375.321 4.023 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)CSc1nc2ccccc2s1 ZINC000047213722 822554678 /nfs/dbraw/zinc/55/46/78/822554678.db2.gz JFRAOYGSPLFXEJ-HNNXBMFYSA-N 1 0 377.579 4.159 20 0 GIADRO CC(=O)OCCCc1cccc(NC(=O)c2oc3ccccc3c2C[NH+](C)C)c1 ZINC000183968090 822555441 /nfs/dbraw/zinc/55/54/41/822555441.db2.gz QDRQTQSIOYFWAX-UHFFFAOYSA-N 1 0 394.471 4.242 20 0 GIADRO CCOc1c(OC)cc(C[NH+]2CCC(OCc3ccccc3)CC2)cc1OC ZINC000179801279 822555610 /nfs/dbraw/zinc/55/56/10/822555610.db2.gz CAAKBZJAVZFZTP-UHFFFAOYSA-N 1 0 385.504 4.284 20 0 GIADRO Cn1cc(C[NH+]2CCC(OCCc3ccccc3)CC2)c(-c2ccccc2)n1 ZINC000179801668 822555802 /nfs/dbraw/zinc/55/58/02/822555802.db2.gz ZABOMIZUVTUYAP-UHFFFAOYSA-N 1 0 375.516 4.311 20 0 GIADRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCC1CC(F)(F)C1 ZINC000454921788 822557266 /nfs/dbraw/zinc/55/72/66/822557266.db2.gz LODXGVBMZYPZQG-SFHVURJKSA-N 1 0 379.495 4.022 20 0 GIADRO CN(C(=O)Nc1ccc2c(c1)C(=O)CCC2)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000454923168 822557443 /nfs/dbraw/zinc/55/74/43/822557443.db2.gz JVWFCGPSNDUVQS-UHFFFAOYSA-N 1 0 397.441 4.086 20 0 GIADRO C[C@H]([NH2+]Cc1nnc(-c2cc3c(s2)CCCC3)o1)[C@H]1COc2ccccc21 ZINC000184001826 822561541 /nfs/dbraw/zinc/56/15/41/822561541.db2.gz XGKOZUKOVLCNFJ-XJKSGUPXSA-N 1 0 381.501 4.331 20 0 GIADRO Cc1csc2nc(C[NH2+][C@H](C)C(c3ccccc3)c3ccccc3)cc(=O)n12 ZINC000184001153 822561600 /nfs/dbraw/zinc/56/16/00/822561600.db2.gz CHIMYHWKNRYQPU-QGZVFWFLSA-N 1 0 389.524 4.375 20 0 GIADRO CC(C)[NH2+]C1CCN(Cc2ccc(Br)c(Br)c2)CC1 ZINC000179833811 822562628 /nfs/dbraw/zinc/56/26/28/822562628.db2.gz ODXAYYGORKOQNS-UHFFFAOYSA-N 1 0 390.163 4.174 20 0 GIADRO O=C(c1cccc(Br)c1Cl)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000184013304 822564018 /nfs/dbraw/zinc/56/40/18/822564018.db2.gz XMYJXHDFQFDECQ-ZDUSSCGKSA-N 1 0 385.733 4.051 20 0 GIADRO CCc1ccccc1N(C(C)=O)c1nc(C[NH2+][C@H](C)C2CCOCC2)cs1 ZINC000179853821 822566624 /nfs/dbraw/zinc/56/66/24/822566624.db2.gz DJRJZFQBKYXSBK-OAHLLOKOSA-N 1 0 387.549 4.295 20 0 GIADRO O=C(NC[C@H]1CCCC1(F)F)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000454991253 822566970 /nfs/dbraw/zinc/56/69/70/822566970.db2.gz ZNQWURSHQYHVNX-RTBURBONSA-N 1 0 379.495 4.023 20 0 GIADRO COc1ccccc1CSc1ccccc1NC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000454998867 822568072 /nfs/dbraw/zinc/56/80/72/822568072.db2.gz LAZHVLLURBPGSP-QFBILLFUSA-N 1 0 397.544 4.155 20 0 GIADRO CCCOc1ccc(NC(=O)N2CCC([NH+]3CCCC3)CC2)cc1OCCC ZINC000047352673 822570089 /nfs/dbraw/zinc/57/00/89/822570089.db2.gz UDTAJPMROWLFIV-UHFFFAOYSA-N 1 0 389.540 4.356 20 0 GIADRO O=C(Nc1cccc(Cl)c1F)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000047362529 822570784 /nfs/dbraw/zinc/57/07/84/822570784.db2.gz DAKANIUZZIAZSK-UHFFFAOYSA-N 1 0 379.838 4.404 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)N[C@H](C)c3ccc(C)cc3)c(C)c2)CC1 ZINC000047373686 822571840 /nfs/dbraw/zinc/57/18/40/822571840.db2.gz ITYVIZFYLVCCNU-LJQANCHMSA-N 1 0 380.536 4.328 20 0 GIADRO Cc1nc([C@H](N[C@H]2CCC[N@H+](Cc3ccccc3)C2)c2ccc(Cl)cc2)no1 ZINC000179895556 822573001 /nfs/dbraw/zinc/57/30/01/822573001.db2.gz JVSNBJZTSMJVJU-LEWJYISDSA-N 1 0 396.922 4.375 20 0 GIADRO CCOC(=O)C1CCC([NH2+]Cc2ccc(Oc3ccccc3OCC)nc2)CC1 ZINC000179898936 822573347 /nfs/dbraw/zinc/57/33/47/822573347.db2.gz RCVVBWISYLWRHV-UHFFFAOYSA-N 1 0 398.503 4.484 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1ncoc1-c1ccc(F)cc1 ZINC000184065682 822573482 /nfs/dbraw/zinc/57/34/82/822573482.db2.gz XCZGXXRYMFKTOZ-UHFFFAOYSA-N 1 0 379.435 4.007 20 0 GIADRO C[C@@H](Nc1ccc(N2CCSCC2)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000179900808 822573724 /nfs/dbraw/zinc/57/37/24/822573724.db2.gz KUSWEDWSVHLKNH-GOSISDBHSA-N 1 0 385.577 4.353 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CCCc2nc(-c3ccc(F)cc3)no2)c(OC)c1 ZINC000184090125 822576297 /nfs/dbraw/zinc/57/62/97/822576297.db2.gz CBVOQIUKVLMYKN-CQSZACIVSA-N 1 0 385.439 4.176 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)CCc2cn(C)c3ccccc23)CC1 ZINC000184091143 822576539 /nfs/dbraw/zinc/57/65/39/822576539.db2.gz RPONPKNWNKHPRS-UHFFFAOYSA-N 1 0 383.580 4.472 20 0 GIADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc(C3SCCS3)cc2)C1 ZINC000047415945 822577232 /nfs/dbraw/zinc/57/72/32/822577232.db2.gz JDAUZYVRABLSOY-HZPDHXFCSA-N 1 0 378.607 4.263 20 0 GIADRO CCc1nc2c(s1)[C@H]([NH2+]CCCc1nc(-c3ccc(F)cc3)no1)CCC2 ZINC000184096839 822577323 /nfs/dbraw/zinc/57/73/23/822577323.db2.gz GBQWQWBCODGAQX-OAHLLOKOSA-N 1 0 386.496 4.494 20 0 GIADRO CCCC(=O)Nc1ccc(Cl)c(NC(=O)N2CC[NH+]([C@@H](C)CC)CC2)c1 ZINC000455039421 822577914 /nfs/dbraw/zinc/57/79/14/822577914.db2.gz CVQOASBCUHRHDD-AWEZNQCLSA-N 1 0 380.920 4.027 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)Nc3cccc(C)c3F)CC2)cc1 ZINC000179932325 822579476 /nfs/dbraw/zinc/57/94/76/822579476.db2.gz SNMJXFMWNLBQSP-UHFFFAOYSA-N 1 0 385.483 4.176 20 0 GIADRO Cc1csc([C@H](C)C[NH2+]CC2=Cc3cc(Br)ccc3OC2)n1 ZINC000184111637 822579901 /nfs/dbraw/zinc/57/99/01/822579901.db2.gz CEWGJWDTRDUTMR-LLVKDONJSA-N 1 0 379.323 4.383 20 0 GIADRO CCC[N@H+](C)[C@H](CNC(=O)NCc1cnc(C2CC2)o1)c1ccc(Cl)cc1 ZINC000455049551 822580502 /nfs/dbraw/zinc/58/05/02/822580502.db2.gz QZHQYRUKIAKTGK-GOSISDBHSA-N 1 0 390.915 4.088 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000047453636 822580915 /nfs/dbraw/zinc/58/09/15/822580915.db2.gz AKPAAGKWLZTAMG-UHFFFAOYSA-N 1 0 384.867 4.023 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)c1 ZINC000047453671 822581054 /nfs/dbraw/zinc/58/10/54/822581054.db2.gz ZRSJPAIECFSGAJ-UHFFFAOYSA-N 1 0 383.492 4.025 20 0 GIADRO Cc1noc(C)c1COc1ccccc1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000047460391 822581531 /nfs/dbraw/zinc/58/15/31/822581531.db2.gz LOSKPEUDJAWOFE-UHFFFAOYSA-N 1 0 379.460 4.184 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1ccc(Cl)cc1C(F)(F)F)c1cccs1 ZINC000184128074 822582991 /nfs/dbraw/zinc/58/29/91/822582991.db2.gz OGLVNZUVBNUZSK-ZDUSSCGKSA-N 1 0 376.831 4.453 20 0 GIADRO CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)cc1 ZINC000179947049 822583078 /nfs/dbraw/zinc/58/30/78/822583078.db2.gz WLNHRZSVMMYFQI-GOSISDBHSA-N 1 0 399.434 4.156 20 0 GIADRO C[N@H+](CCCCNC(=O)Nc1ccc(-n2ncc3ccccc32)cc1)C1CC1 ZINC000455068740 822584200 /nfs/dbraw/zinc/58/42/00/822584200.db2.gz RFQCQBVWXOHXSZ-UHFFFAOYSA-N 1 0 377.492 4.021 20 0 GIADRO C[C@H](Nc1ccc(N2CCO[C@H](C)C2)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000179951148 822584511 /nfs/dbraw/zinc/58/45/11/822584511.db2.gz GPBPADURUXUOLU-MOPGFXCFSA-N 1 0 383.536 4.025 20 0 GIADRO CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCCOc3c(Cl)cc(C)cc32)cc1 ZINC000179954692 822585062 /nfs/dbraw/zinc/58/50/62/822585062.db2.gz CCANAGGCJIJDME-LJQANCHMSA-N 1 0 393.936 4.446 20 0 GIADRO CN(C)c1ccc(NC(=O)N2CCC([NH+]3CCCCC3)CC2)c(C(F)(F)F)c1 ZINC000047507992 822585495 /nfs/dbraw/zinc/58/54/95/822585495.db2.gz KDEOLWRMIKHZEG-UHFFFAOYSA-N 1 0 398.473 4.254 20 0 GIADRO Cc1cc(C)nc(SCC(=O)Nc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)n1 ZINC000047522224 822586842 /nfs/dbraw/zinc/58/68/42/822586842.db2.gz GKRWHCFZLTUAPG-QGZVFWFLSA-N 1 0 384.549 4.199 20 0 GIADRO Cc1nc2c(s1)[C@H]([NH2+][C@H]1CCN(c3ccc(F)c(Cl)c3)C1=O)CCC2 ZINC000179975224 822588700 /nfs/dbraw/zinc/58/87/00/822588700.db2.gz XQKKXAWZIIHKFR-CVEARBPZSA-N 1 0 379.888 4.017 20 0 GIADRO [NH3+]CC1(CC(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)CCCCC1 ZINC000184163708 822588884 /nfs/dbraw/zinc/58/88/84/822588884.db2.gz RONKMEPVDHYWRV-UHFFFAOYSA-N 1 0 389.883 4.423 20 0 GIADRO Cc1ccc(C[C@@H](NC(=O)NCCCCC[NH+]2CCCC2)c2ccccn2)cc1 ZINC000455106075 822589686 /nfs/dbraw/zinc/58/96/86/822589686.db2.gz AHPXUWQSGUCPMG-HSZRJFAPSA-N 1 0 394.563 4.239 20 0 GIADRO CC[NH+](CC)CCOC1CCN(C(=O)N[C@H](C)c2ccc(F)cc2Cl)CC1 ZINC000455105991 822589703 /nfs/dbraw/zinc/58/97/03/822589703.db2.gz DETXQKCYJARSSN-OAHLLOKOSA-N 1 0 399.938 4.073 20 0 GIADRO CC(C)[NH+](CCCNC(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1)C(C)C ZINC000179981897 822590150 /nfs/dbraw/zinc/59/01/50/822590150.db2.gz MZTXEASJISOVME-UHFFFAOYSA-N 1 0 391.556 4.201 20 0 GIADRO Fc1ccc(-c2noc(CCC[NH2+]Cc3ccc(OC(F)F)cc3)n2)cc1 ZINC000184171920 822590516 /nfs/dbraw/zinc/59/05/16/822590516.db2.gz YZRPORLFQWWOBH-UHFFFAOYSA-N 1 0 377.366 4.200 20 0 GIADRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccc(-n2cc[nH]c2=S)cc1 ZINC000047558003 822590616 /nfs/dbraw/zinc/59/06/16/822590616.db2.gz NRABKHJXRWHAHB-FQEVSTJZSA-N 1 0 392.528 4.102 20 0 GIADRO C[C@@H]1CN(C(=O)Nc2cc(F)c(OC(C)(C)C)c(F)c2)CC[N@@H+](C2CCC2)C1 ZINC000455117178 822591260 /nfs/dbraw/zinc/59/12/60/822591260.db2.gz ZKQWFMPCKWPEKM-AWEZNQCLSA-N 1 0 395.494 4.480 20 0 GIADRO Cc1ccc(NC(=S)NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c(C)c1 ZINC000047567400 822591383 /nfs/dbraw/zinc/59/13/83/822591383.db2.gz UHYSPULTCTZFLV-KDURUIRLSA-N 1 0 397.588 4.399 20 0 GIADRO Cc1cc(-c2nc(C3CC3)no2)ccc1NC(=O)NC(C)(C)CCC[NH+](C)C ZINC000455125174 822592749 /nfs/dbraw/zinc/59/27/49/822592749.db2.gz AKUTXZUNKVNXGP-UHFFFAOYSA-N 1 0 385.512 4.164 20 0 GIADRO COc1ccccc1NC(=O)C[NH2+]C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000179997385 822593000 /nfs/dbraw/zinc/59/30/00/822593000.db2.gz XOYQQFDEUUEBTF-UHFFFAOYSA-N 1 0 378.394 4.322 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]C[C@H]1COC2(CCC(C)CC2)O1 ZINC000180002826 822593606 /nfs/dbraw/zinc/59/36/06/822593606.db2.gz VFXRROFLYMMSFI-YTISVTONSA-N 1 0 387.549 4.486 20 0 GIADRO CC[C@H]1Oc2cc([C@@H](C)[NH2+]CC(=O)Nc3ccc(C(C)C)cc3)ccc2NC1=O ZINC000180008475 822594908 /nfs/dbraw/zinc/59/49/08/822594908.db2.gz CRWLDDGWJXLFQX-FOIQADDNSA-N 1 0 395.503 4.209 20 0 GIADRO CCOc1ccc(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1Cl ZINC000047601122 822595421 /nfs/dbraw/zinc/59/54/21/822595421.db2.gz WGPJEEKKBJOENC-INIZCTEOSA-N 1 0 377.872 4.290 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)N3CCC[C@@H](c4ccccc4)C3)c2)CC1 ZINC000455139691 822595506 /nfs/dbraw/zinc/59/55/06/822595506.db2.gz AWQDRXZOUPCVOA-OAQYLSRUSA-N 1 0 392.547 4.240 20 0 GIADRO COc1ccc(NC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)cc1OC(C)C ZINC000184203874 822595611 /nfs/dbraw/zinc/59/56/11/822595611.db2.gz NRTMFOOIQYSPHC-SFHVURJKSA-N 1 0 389.471 4.046 20 0 GIADRO Cc1cc(Br)c(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1Cl ZINC000455149770 822597365 /nfs/dbraw/zinc/59/73/65/822597365.db2.gz RZBHWGGAISGAGR-YOGCLGLASA-N 1 0 386.721 4.158 20 0 GIADRO CC[C@@H]1Oc2cc([C@H](C)[NH2+]CC(=O)Nc3cccc(C(C)C)c3)ccc2NC1=O ZINC000180018926 822597738 /nfs/dbraw/zinc/59/77/38/822597738.db2.gz CACUOLFSTNPQLP-YWZLYKJASA-N 1 0 395.503 4.209 20 0 GIADRO CC(C)C[NH+]1CCC(NC(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)CC1 ZINC000047634589 822598238 /nfs/dbraw/zinc/59/82/38/822598238.db2.gz REQLQMFVGPUZJA-UHFFFAOYSA-N 1 0 398.551 4.029 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)N3CC[C@@H](C(F)(F)F)C[C@@H]3C)c2)CC1 ZINC000455157824 822598963 /nfs/dbraw/zinc/59/89/63/822598963.db2.gz MXBCNSJHVZGPCT-JKSUJKDBSA-N 1 0 398.473 4.023 20 0 GIADRO Cn1cc([C@@H](NCc2ccc(C[NH+]3CCCCC3)cc2)c2cccc(F)c2)cn1 ZINC000180024366 822599248 /nfs/dbraw/zinc/59/92/48/822599248.db2.gz JOFDKTYUCZYXIF-DEOSSOPVSA-N 1 0 392.522 4.424 20 0 GIADRO O=C(NC[C@H]1CCCCC1(F)F)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000455159554 822599279 /nfs/dbraw/zinc/59/92/79/822599279.db2.gz FRAPQFPHNYYBMD-CTNGQTDRSA-N 1 0 391.506 4.120 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000180028340 822600190 /nfs/dbraw/zinc/60/01/90/822600190.db2.gz YXUXOPFZPYLQMW-RTBURBONSA-N 1 0 391.874 4.192 20 0 GIADRO Clc1ccccc1[C@H](NC1CC[NH+](C2CC2)CC1)c1ccc2c(c1)OCCO2 ZINC000180028934 822600418 /nfs/dbraw/zinc/60/04/18/822600418.db2.gz DCQGKJAIUHSZDU-HSZRJFAPSA-N 1 0 398.934 4.417 20 0 GIADRO COc1cc(C[NH2+]Cc2ccc(-n3ccnc3)cc2)ccc1OC1CCCC1 ZINC000047717750 822603504 /nfs/dbraw/zinc/60/35/04/822603504.db2.gz BOFJGQMZBFDHSZ-UHFFFAOYSA-N 1 0 377.488 4.492 20 0 GIADRO CN1CCN(C(=O)c2c[nH]c3cccc(Br)c23)c2ccccc2C1 ZINC000180044890 822603514 /nfs/dbraw/zinc/60/35/14/822603514.db2.gz WHQCCIRDRCNYQD-UHFFFAOYSA-N 1 0 384.277 4.023 20 0 GIADRO CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]Cc2cccc(OC)c2OC)cc1 ZINC000047724619 822604198 /nfs/dbraw/zinc/60/41/98/822604198.db2.gz SQSAKEOAAVAYMT-MRXNPFEDSA-N 1 0 385.508 4.428 20 0 GIADRO C[C@H](C[S@](C)=O)[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccc(Cl)c1 ZINC000184257631 822604467 /nfs/dbraw/zinc/60/44/67/822604467.db2.gz XWCUSLSOGBUAIK-WZQKQDCOSA-N 1 0 387.936 4.049 20 0 GIADRO C[C@@H](CCCc1ccccc1)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000180051136 822604629 /nfs/dbraw/zinc/60/46/29/822604629.db2.gz KOOBSRFYNAVJIJ-SFHVURJKSA-N 1 0 381.520 4.174 20 0 GIADRO Cc1cc(SC(C)(C)C)ccc1NC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000184261972 822605129 /nfs/dbraw/zinc/60/51/29/822605129.db2.gz SXIGJRTZHCDAOZ-QGZVFWFLSA-N 1 0 392.613 4.033 20 0 GIADRO C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000184266751 822605758 /nfs/dbraw/zinc/60/57/58/822605758.db2.gz RSQXSWWMFVWKTA-KRWDZBQOSA-N 1 0 398.934 4.330 20 0 GIADRO Cc1csc2nc(C[NH2+][C@@H](c3cccc(C(F)(F)F)c3)C3CC3)cc(=O)n12 ZINC000180063629 822607157 /nfs/dbraw/zinc/60/71/57/822607157.db2.gz NAMDKCFEZFWXRU-QGZVFWFLSA-N 1 0 393.434 4.324 20 0 GIADRO CCC[N@H+](Cc1ccc(O)c(OC)c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000180067908 822608293 /nfs/dbraw/zinc/60/82/93/822608293.db2.gz QXNVJHVADLSVOR-UHFFFAOYSA-N 1 0 378.513 4.012 20 0 GIADRO CCC[C@H](C)C[NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000180069718 822608973 /nfs/dbraw/zinc/60/89/73/822608973.db2.gz XBBDSSXZRFGAIF-VBKZILBWSA-N 1 0 381.488 4.484 20 0 GIADRO Cc1nc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)c(-c2ccccc2)o1 ZINC000184290829 822609622 /nfs/dbraw/zinc/60/96/22/822609622.db2.gz KBSCJHIRIWSRJC-UHFFFAOYSA-N 1 0 375.472 4.176 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1cnn(Cc2ccc(Cl)cc2)c1 ZINC000180072461 822609726 /nfs/dbraw/zinc/60/97/26/822609726.db2.gz OFDNZQXHKXAVQS-JTSKRJEESA-N 1 0 395.938 4.302 20 0 GIADRO O=C(c1ccccc1)N1CCC([NH2+]Cc2ncc(-c3ccccc3)s2)CC1 ZINC000180074535 822610102 /nfs/dbraw/zinc/61/01/02/822610102.db2.gz KNXLFWMPOOXSLY-UHFFFAOYSA-N 1 0 377.513 4.205 20 0 GIADRO COc1ccccc1[C@@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)C1CCCC1 ZINC000180076290 822610571 /nfs/dbraw/zinc/61/05/71/822610571.db2.gz YCXDYUMVDYCLSV-QFIPXVFZSA-N 1 0 387.545 4.261 20 0 GIADRO Cc1cc2cc[nH]c2cc1NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000455219240 822611097 /nfs/dbraw/zinc/61/10/97/822611097.db2.gz GBLANJRZLJIMEA-UHFFFAOYSA-N 1 0 382.430 4.357 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)N[C@@H]1CCCOc2c(F)cccc21 ZINC000180096408 822614636 /nfs/dbraw/zinc/61/46/36/822614636.db2.gz VGISXTLBGICVRE-OAQYLSRUSA-N 1 0 397.494 4.003 20 0 GIADRO COc1ccc2oc([C@@H](C)[NH2+]C[C@@H](O)COCc3cccs3)c(C)c2c1 ZINC000184322984 822615113 /nfs/dbraw/zinc/61/51/13/822615113.db2.gz JGYQNKOVXHYOAV-HUUCEWRRSA-N 1 0 375.490 4.040 20 0 GIADRO COc1ccc2oc([C@H](C)[NH2+]CC(=O)Nc3cc(OC)ccc3OC)c(C)c2c1 ZINC000184324693 822615319 /nfs/dbraw/zinc/61/53/19/822615319.db2.gz JPDWIEFRKYFECP-AWEZNQCLSA-N 1 0 398.459 4.056 20 0 GIADRO CCCCn1cc(C(=O)Nc2ccc(C[NH+]3CCSCC3)cc2C)c(C)n1 ZINC000184327026 822615659 /nfs/dbraw/zinc/61/56/59/822615659.db2.gz GZUJKXOCVXWXTP-UHFFFAOYSA-N 1 0 386.565 4.101 20 0 GIADRO COc1ccc2oc([C@H](C)[NH2+]Cc3cc(=O)n4cc(Cl)ccc4n3)c(C)c2c1 ZINC000184330867 822616589 /nfs/dbraw/zinc/61/65/89/822616589.db2.gz CYQKNJVBJXEBHT-ZDUSSCGKSA-N 1 0 397.862 4.262 20 0 GIADRO COc1ccc2oc([C@H](C)[NH2+][C@@H](C)C(=O)Nc3cccnc3Cl)c(C)c2c1 ZINC000184330914 822616618 /nfs/dbraw/zinc/61/66/18/822616618.db2.gz LYCLXAMDINQHEX-STQMWFEESA-N 1 0 387.867 4.476 20 0 GIADRO O=C(NCCCCC[NH+]1CCCC1)N[C@H](c1cccc(F)c1F)C(F)(F)F ZINC000455245715 822616666 /nfs/dbraw/zinc/61/66/66/822616666.db2.gz VFWKFGIDLZHNAN-MRXNPFEDSA-N 1 0 393.400 4.134 20 0 GIADRO O=C(CCc1ccc2[nH]ccc2c1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000180108935 822617007 /nfs/dbraw/zinc/61/70/07/822617007.db2.gz KZCUBDCOQVKXLA-SFHVURJKSA-N 1 0 381.545 4.190 20 0 GIADRO COc1ccc2oc([C@@H](C)[NH2+]C[C@H](O)COc3cccc4[nH]ccc43)c(C)c2c1 ZINC000184338840 822618162 /nfs/dbraw/zinc/61/81/62/822618162.db2.gz AZUZVOWGHYZUSD-CVEARBPZSA-N 1 0 394.471 4.322 20 0 GIADRO COc1ccc2oc([C@H](C)[NH2+]CC(=O)N[C@@H](C)c3ccccc3OC)c(C)c2c1 ZINC000184337618 822618171 /nfs/dbraw/zinc/61/81/71/822618171.db2.gz LZYVIAHRWCNXFO-HOTGVXAUSA-N 1 0 396.487 4.286 20 0 GIADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)Nc1cccc(OC(F)F)c1 ZINC000047906711 822618492 /nfs/dbraw/zinc/61/84/92/822618492.db2.gz OGTSXXBFJSVJLL-OAHLLOKOSA-N 1 0 381.448 4.308 20 0 GIADRO Cc1csc(NC(=O)C[NH2+][C@@H](C)c2sc(-c3ccc(F)cc3)nc2C)n1 ZINC000184343651 822619187 /nfs/dbraw/zinc/61/91/87/822619187.db2.gz ZEZNNJRTNXPEDU-NSHDSACASA-N 1 0 390.509 4.312 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]CC(=O)N(C)c1nccs1 ZINC000184345613 822619414 /nfs/dbraw/zinc/61/94/14/822619414.db2.gz GNVKFUMLIHYWAV-LLVKDONJSA-N 1 0 390.509 4.028 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@H](C)c1ccc(F)cc1F ZINC000047924753 822620073 /nfs/dbraw/zinc/62/00/73/822620073.db2.gz QTYWSKMVBUPQAQ-OAHLLOKOSA-N 1 0 375.463 4.365 20 0 GIADRO C[C@@H](NC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)c1cccc(OC(F)F)c1 ZINC000047936029 822620939 /nfs/dbraw/zinc/62/09/39/822620939.db2.gz NBHIGUVTVKTIFN-ACJLOTCBSA-N 1 0 395.425 4.090 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)N[C@H]1CCSc2ccc(F)cc21)c1cccc(F)c1 ZINC000047936084 822621050 /nfs/dbraw/zinc/62/10/50/822621050.db2.gz MAKXCCCFRXFLOE-ROUUACIJSA-N 1 0 391.487 4.104 20 0 GIADRO C[NH+](C)CCN(Cc1ccco1)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000180127291 822621135 /nfs/dbraw/zinc/62/11/35/822621135.db2.gz GIYPCRPAFOTTPD-UHFFFAOYSA-N 1 0 387.814 4.130 20 0 GIADRO CN(C(=O)Nc1cccc2ccn(C)c21)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000455264858 822621197 /nfs/dbraw/zinc/62/11/97/822621197.db2.gz ZFKSUKODYNZQBX-UHFFFAOYSA-N 1 0 382.430 4.059 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000180129377 822621703 /nfs/dbraw/zinc/62/17/03/822621703.db2.gz LCUYROFCFULGIR-SFHVURJKSA-N 1 0 381.303 4.426 20 0 GIADRO Cc1c(NC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cccc1N(C)C ZINC000180134488 822623186 /nfs/dbraw/zinc/62/31/86/822623186.db2.gz BSOFRSMFCOTIFE-QGZVFWFLSA-N 1 0 386.565 4.156 20 0 GIADRO Cc1cc(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)nn1-c1ccccc1Cl ZINC000180134232 822623260 /nfs/dbraw/zinc/62/32/60/822623260.db2.gz DGPMYEHNAMDIID-UHFFFAOYSA-N 1 0 389.931 4.219 20 0 GIADRO C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000184372111 822623799 /nfs/dbraw/zinc/62/37/99/822623799.db2.gz VDRSIMKIWLVSPA-HNNXBMFYSA-N 1 0 388.895 4.128 20 0 GIADRO Cc1c(NC(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cccc1N(C)C ZINC000180143061 822625332 /nfs/dbraw/zinc/62/53/32/822625332.db2.gz VBWQTOSLRRUYNF-FQEVSTJZSA-N 1 0 380.536 4.189 20 0 GIADRO CCC(CC)c1cc(CNCc2c(Cl)cccc2N2CC[NH+](C)CC2)on1 ZINC000180144638 822625700 /nfs/dbraw/zinc/62/57/00/822625700.db2.gz NHCCNCNITSBKJM-UHFFFAOYSA-N 1 0 390.959 4.273 20 0 GIADRO CC(C)C[NH+]1CCC(NC(=O)Nc2ccc(Cl)c(OC(F)F)c2)CC1 ZINC000180144265 822625724 /nfs/dbraw/zinc/62/57/24/822625724.db2.gz AXHXVLDOXWGQOL-UHFFFAOYSA-N 1 0 375.847 4.183 20 0 GIADRO Cc1c(NC(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cccc1N(C)C ZINC000180144729 822625954 /nfs/dbraw/zinc/62/59/54/822625954.db2.gz JINYAEABAAUHLN-UZLBHIALSA-N 1 0 386.565 4.327 20 0 GIADRO Cc1cccc(C([NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)c2cccc(C)c2)c1 ZINC000180146645 822626525 /nfs/dbraw/zinc/62/65/25/822626525.db2.gz PRZKVNZATWOGCT-GOSISDBHSA-N 1 0 394.540 4.391 20 0 GIADRO Cc1cncc([C@H](C)[NH2+][C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)c1 ZINC000184388087 822626610 /nfs/dbraw/zinc/62/66/10/822626610.db2.gz AWJFMQCEIFBRNA-SWLSCSKDSA-N 1 0 384.833 4.387 20 0 GIADRO CCCCCOc1cc(C)ccc1C[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000180150660 822627451 /nfs/dbraw/zinc/62/74/51/822627451.db2.gz QHEBGJGWJIGTKG-KRWDZBQOSA-N 1 0 390.549 4.062 20 0 GIADRO COc1ccc([C@H]([NH2+]C[C@H]2CCN(c3cc(OC)cc(OC)c3)C2)C2CC2)cc1 ZINC000180151432 822627619 /nfs/dbraw/zinc/62/76/19/822627619.db2.gz OVCWGTCYAAESHR-MZNJEOGPSA-N 1 0 396.531 4.280 20 0 GIADRO COc1ccc([C@@H]([NH2+]C[C@H]2CCN(c3cc(OC)cc(OC)c3)C2)C2CC2)cc1 ZINC000180151448 822627664 /nfs/dbraw/zinc/62/76/64/822627664.db2.gz OVCWGTCYAAESHR-OSPHWJPCSA-N 1 0 396.531 4.280 20 0 GIADRO Cc1ccc([C@@H](OC[C@H](O)C[NH2+][C@@H](C)c2nccs2)c2ccccc2)cc1 ZINC000184400501 822628563 /nfs/dbraw/zinc/62/85/63/822628563.db2.gz ZVGWADQHSWLOBR-WMQCIHAUSA-N 1 0 382.529 4.269 20 0 GIADRO CC[NH+](CC)Cc1cccc(CN[C@@H](c2cnn(C)c2)c2cccc(F)c2)c1 ZINC000180157710 822629227 /nfs/dbraw/zinc/62/92/27/822629227.db2.gz AVSUPZGZCUGICM-HSZRJFAPSA-N 1 0 380.511 4.280 20 0 GIADRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000180159717 822629457 /nfs/dbraw/zinc/62/94/57/822629457.db2.gz ADDHUCXRUXBBSP-ZDUSSCGKSA-N 1 0 393.291 4.387 20 0 GIADRO COc1ccc(NC(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)c(C(F)(F)F)c1 ZINC000048083305 822630313 /nfs/dbraw/zinc/63/03/13/822630313.db2.gz VSABRCCFGVEMAG-QGZVFWFLSA-N 1 0 399.388 4.278 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)NCCC[C@@H]2CCCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000184412780 822630399 /nfs/dbraw/zinc/63/03/99/822630399.db2.gz MYEKULUDMGUDSX-BVSLBCMMSA-N 1 0 387.568 4.030 20 0 GIADRO C[C@@H](CC[NH2+][C@@H](C)c1nc2ccc(Cl)cc2n1C)NC(=O)OC(C)(C)C ZINC000180164193 822630455 /nfs/dbraw/zinc/63/04/55/822630455.db2.gz RKXQFXGFHNPSCN-STQMWFEESA-N 1 0 380.920 4.181 20 0 GIADRO Cc1c(Br)ccc(NC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)c1F ZINC000455301097 822631042 /nfs/dbraw/zinc/63/10/42/822631042.db2.gz KXFMRVQNTUUHAB-LBPRGKRZSA-N 1 0 398.320 4.235 20 0 GIADRO CN(Cc1cc(F)c(F)c(F)c1)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000180167929 822631245 /nfs/dbraw/zinc/63/12/45/822631245.db2.gz IJCJCJHAOMDQRQ-IBGZPJMESA-N 1 0 391.437 4.082 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)Nc1ccnc(Oc2ccc(F)cc2F)c1 ZINC000455302786 822631329 /nfs/dbraw/zinc/63/13/29/822631329.db2.gz BPXQSHJFKWEWEK-UHFFFAOYSA-N 1 0 392.450 4.394 20 0 GIADRO Cn1cc(C[NH+]2CCC([C@@H](O)c3ccc(F)cc3)CC2)c(-c2ccccc2)n1 ZINC000180169540 822631594 /nfs/dbraw/zinc/63/15/94/822631594.db2.gz WWZGDZAVJSEAAZ-QHCPKHFHSA-N 1 0 379.479 4.172 20 0 GIADRO FC(F)(F)CCN1CCC([NH2+]CCCc2nc(-c3ccncc3)cs2)CC1 ZINC000180173189 822632446 /nfs/dbraw/zinc/63/24/46/822632446.db2.gz LMXWIYSUNNDQHZ-UHFFFAOYSA-N 1 0 398.498 4.144 20 0 GIADRO Cc1ccc([C@H](C[NH2+][C@@H](c2ccccc2)c2ccccn2)N2CCOCC2)cc1 ZINC000180174206 822632540 /nfs/dbraw/zinc/63/25/40/822632540.db2.gz XNHDPYLGKBRPLS-DQEYMECFSA-N 1 0 387.527 4.143 20 0 GIADRO O=C1C[C@@H](C[NH2+]Cc2c(Cl)cccc2N2CCCC2)CN1Cc1ccccc1 ZINC000180174799 822632601 /nfs/dbraw/zinc/63/26/01/822632601.db2.gz OPQNAHRXZBALJM-IBGZPJMESA-N 1 0 397.950 4.079 20 0 GIADRO FC(F)(F)CCN1CCC([NH2+]CCc2ccccc2OC(F)(F)F)CC1 ZINC000180179315 822633577 /nfs/dbraw/zinc/63/35/77/822633577.db2.gz QMVHOUXDJNXDLE-UHFFFAOYSA-N 1 0 384.364 4.134 20 0 GIADRO Cc1ccoc1C(=O)NCCC[NH2+][C@H](c1ccc(Br)cc1)C1CC1 ZINC000180182033 822633918 /nfs/dbraw/zinc/63/39/18/822633918.db2.gz RRFBEDJLJGOTKF-KRWDZBQOSA-N 1 0 391.309 4.211 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)Nc2ccc3c(c2)N(C)CC3)CC1 ZINC000180197302 822637494 /nfs/dbraw/zinc/63/74/94/822637494.db2.gz DQJCBXNPJNEUJB-GOSISDBHSA-N 1 0 384.568 4.187 20 0 GIADRO CC[C@H](C)c1ccccc1OCC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180208390 822639784 /nfs/dbraw/zinc/63/97/84/822639784.db2.gz SWOZRRDLBPYWOC-SFHVURJKSA-N 1 0 381.520 4.007 20 0 GIADRO C[C@@H](CC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccc(Cl)cc1 ZINC000180211121 822640273 /nfs/dbraw/zinc/64/02/73/822640273.db2.gz CAWODJDZUGEODK-QGZVFWFLSA-N 1 0 385.939 4.337 20 0 GIADRO CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000184465498 822640852 /nfs/dbraw/zinc/64/08/52/822640852.db2.gz IDUBAYXMPYOZNZ-FQEVSTJZSA-N 1 0 382.504 4.214 20 0 GIADRO CC(C)(CNC(=O)c1sccc1Br)[N@@H+]1CCc2ccccc2C1 ZINC000048178840 822642484 /nfs/dbraw/zinc/64/24/84/822642484.db2.gz QKKASCWVJNQJCV-UHFFFAOYSA-N 1 0 393.350 4.077 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(CCC(F)(F)F)cc1 ZINC000180224328 822642832 /nfs/dbraw/zinc/64/28/32/822642832.db2.gz OARWIQHGTUBEAK-UHFFFAOYSA-N 1 0 391.437 4.223 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1ccc(Br)cc1Cl)c1cccs1 ZINC000048186296 822643322 /nfs/dbraw/zinc/64/33/22/822643322.db2.gz YHXTWCOADYPKFO-CYBMUJFWSA-N 1 0 387.730 4.197 20 0 GIADRO CC[C@H](C)Oc1cc(C(=O)Nc2ccccc2NC2CC[NH+](C)CC2)ccn1 ZINC000180227969 822643637 /nfs/dbraw/zinc/64/36/37/822643637.db2.gz WANZOTXGARJLEB-INIZCTEOSA-N 1 0 382.508 4.017 20 0 GIADRO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)C1(c2ccc(F)cc2)CCOCC1 ZINC000180231360 822644712 /nfs/dbraw/zinc/64/47/12/822644712.db2.gz OQZJDOZTMQNGKT-UHFFFAOYSA-N 1 0 396.506 4.151 20 0 GIADRO COc1cccc(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)c1OC(F)F ZINC000180233655 822645093 /nfs/dbraw/zinc/64/50/93/822645093.db2.gz RAWMUNCLLCLBGR-UHFFFAOYSA-N 1 0 390.430 4.187 20 0 GIADRO CCc1noc(-c2ccc(CC[NH2+]Cc3cn(C)nc3-c3ccccc3)cc2)n1 ZINC000180234079 822645235 /nfs/dbraw/zinc/64/52/35/822645235.db2.gz QHLFRYCJYXBQCA-UHFFFAOYSA-N 1 0 387.487 4.032 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)c2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000048213989 822645993 /nfs/dbraw/zinc/64/59/93/822645993.db2.gz PYKDQCOMFBZFSC-UHFFFAOYSA-N 1 0 393.462 4.480 20 0 GIADRO C[C@@H]([NH2+]CCCOCCO)c1ccc(-c2ccccc2Br)s1 ZINC000180245730 822647578 /nfs/dbraw/zinc/64/75/78/822647578.db2.gz BBOFPTDAGZNRTA-CYBMUJFWSA-N 1 0 384.339 4.227 20 0 GIADRO C[C@@H]1C[C@H](CCNC(=O)NC[C@@H]2CCCC2(F)F)C[N@@H+]1Cc1ccccc1 ZINC000455405167 822647668 /nfs/dbraw/zinc/64/76/68/822647668.db2.gz GRYIKRHUMIZFLF-NEWSRXKRSA-N 1 0 379.495 4.022 20 0 GIADRO CC[C@@H]([NH2+][C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21)c1ccc2c(c1)CCO2 ZINC000184512201 822648449 /nfs/dbraw/zinc/64/84/49/822648449.db2.gz RHGIPWQMNOWFGC-FGZHOGPDSA-N 1 0 382.479 4.295 20 0 GIADRO COc1cc(C(=O)NCc2ccccc2C[NH+](C)C)ccc1OC1CCCC1 ZINC000048269490 822650074 /nfs/dbraw/zinc/65/00/74/822650074.db2.gz KYLPUXZGFXHHLW-UHFFFAOYSA-N 1 0 382.504 4.008 20 0 GIADRO CC(=O)Nc1ccccc1C[NH2+]C[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000184531485 822652141 /nfs/dbraw/zinc/65/21/41/822652141.db2.gz LEAKTPLRIQYZKH-LJQANCHMSA-N 1 0 379.426 4.056 20 0 GIADRO COc1ccc(NC(=O)CC[NH2+][C@H](C)c2nc(-c3ccccc3)cs2)cc1 ZINC000184535486 822652877 /nfs/dbraw/zinc/65/28/77/822652877.db2.gz HYGKIUAFDYNIEU-OAHLLOKOSA-N 1 0 381.501 4.498 20 0 GIADRO Cc1nc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)sc1Cc1ccc(F)cc1 ZINC000455448247 822655982 /nfs/dbraw/zinc/65/59/82/822655982.db2.gz OAKHTPRIPSBRHK-DYVFJYSZSA-N 1 0 390.528 4.128 20 0 GIADRO CCOc1ccc(CCC2CCN(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC000455450960 822656784 /nfs/dbraw/zinc/65/67/84/822656784.db2.gz ZAZBLFGJYSCVTD-FRIKZZABSA-N 1 0 399.579 4.065 20 0 GIADRO C[C@H](Oc1ccccc1NC(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1)C(F)(F)F ZINC000455451722 822656982 /nfs/dbraw/zinc/65/69/82/822656982.db2.gz UGJDVSZTVKLTBV-CABCVRRESA-N 1 0 399.457 4.354 20 0 GIADRO CC[C@H]([NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccccc1F ZINC000180293643 822657676 /nfs/dbraw/zinc/65/76/76/822657676.db2.gz ZGLDUBMBYAMOLU-JKSBSHDWSA-N 1 0 384.495 4.316 20 0 GIADRO Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000180294691 822658038 /nfs/dbraw/zinc/65/80/38/822658038.db2.gz KBMDXQLNHGFGSC-RTBURBONSA-N 1 0 399.539 4.083 20 0 GIADRO CC(C)Sc1ccc(C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)cc1 ZINC000180295155 822658181 /nfs/dbraw/zinc/65/81/81/822658181.db2.gz OTDYKQGNVPNEMS-UHFFFAOYSA-N 1 0 390.593 4.152 20 0 GIADRO CCC(=O)Nc1ccc(NC(=O)NC[C@@H](c2ccccc2)[NH+](CC)CC)cc1 ZINC000048390380 822658636 /nfs/dbraw/zinc/65/86/36/822658636.db2.gz GVROGYMZMQBHAU-FQEVSTJZSA-N 1 0 382.508 4.240 20 0 GIADRO CN(C)C(=O)CCC[NH2+][C@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC000180300884 822659781 /nfs/dbraw/zinc/65/97/81/822659781.db2.gz BNLIZXZFIRDMEC-IBGZPJMESA-N 1 0 393.300 4.136 20 0 GIADRO O[C@H](C[NH2+]C1CCN(Cc2cccnc2)CC1)c1ccc(-c2ccccc2)cc1 ZINC000184584179 822661310 /nfs/dbraw/zinc/66/13/10/822661310.db2.gz BARLVMSSTKGBMH-RUZDIDTESA-N 1 0 387.527 4.036 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)Nc3c(C)cc(C)nc3C)CC2)cc1 ZINC000455478041 822662192 /nfs/dbraw/zinc/66/21/92/822662192.db2.gz MVXMRGCCMJSNHX-UHFFFAOYSA-N 1 0 396.535 4.049 20 0 GIADRO Cc1ccc(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)c(Br)n1 ZINC000180316186 822662250 /nfs/dbraw/zinc/66/22/50/822662250.db2.gz JWIPHAWMGGFRHA-UHFFFAOYSA-N 1 0 388.309 4.043 20 0 GIADRO Cc1cc(NC(=O)N(CC[NH+](C)C)Cc2ccccn2)ccc1-c1ccncc1 ZINC000455480422 822662629 /nfs/dbraw/zinc/66/26/29/822662629.db2.gz AAKZGUPJBZCKAD-UHFFFAOYSA-N 1 0 389.503 4.048 20 0 GIADRO 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 822663135 /nfs/dbraw/zinc/66/31/35/822663135.db2.gz XLMRIRXNRRRLKO-KGLIBXPVSA-N 1 0 395.469 4.423 20 0 GIADRO C[C@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000455483514 822663163 /nfs/dbraw/zinc/66/31/63/822663163.db2.gz YEHXFBQEGDKJFV-PRTUASRFSA-N 1 0 382.335 4.247 20 0 GIADRO Cc1cc(Br)cc(C)c1NC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000048464845 822664768 /nfs/dbraw/zinc/66/47/68/822664768.db2.gz JWNHUNISWRHERH-UHFFFAOYSA-N 1 0 390.325 4.449 20 0 GIADRO Cn1cc([C@@H](NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c2cccc(F)c2)cn1 ZINC000180337145 822665786 /nfs/dbraw/zinc/66/57/86/822665786.db2.gz UQUJPOOZYPENKE-VGSWGCGISA-N 1 0 398.551 4.212 20 0 GIADRO CC1(C(=O)NCc2ccccc2OC(F)F)CC[NH+](Cc2ccccc2)CC1 ZINC000184618560 822666512 /nfs/dbraw/zinc/66/65/12/822666512.db2.gz ZOEXQLMAJFCJJB-UHFFFAOYSA-N 1 0 388.458 4.207 20 0 GIADRO CCCCOc1ccc([C@H](C)[NH2+]CC(=O)Nc2cccnc2Cl)cc1OC ZINC000180345745 822667133 /nfs/dbraw/zinc/66/71/33/822667133.db2.gz ZGANIEGCYABHHI-AWEZNQCLSA-N 1 0 391.899 4.212 20 0 GIADRO O=C(N[C@@H](c1ccccc1)c1ccc(F)cc1)NC1CC[NH+](C2CCC2)CC1 ZINC000455503178 822667250 /nfs/dbraw/zinc/66/72/50/822667250.db2.gz NWNSDDDEMZHGLG-QFIPXVFZSA-N 1 0 381.495 4.231 20 0 GIADRO CC[C@H]([NH2+]C1CCN(C(=O)Cc2ccccc2OC)CC1)c1ccccc1F ZINC000180348271 822667749 /nfs/dbraw/zinc/66/77/49/822667749.db2.gz LZJOXDIMAIAKIK-NRFANRHFSA-N 1 0 384.495 4.109 20 0 GIADRO Cc1ccc([C@@H]([NH2+]Cc2cccc(CS(C)(=O)=O)c2)c2ccccc2)cc1 ZINC000180353616 822668762 /nfs/dbraw/zinc/66/87/62/822668762.db2.gz HAWBTVCIIHBZEO-QHCPKHFHSA-N 1 0 379.525 4.419 20 0 GIADRO Cc1cc(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)nn1-c1cccc(Cl)c1 ZINC000180354402 822669034 /nfs/dbraw/zinc/66/90/34/822669034.db2.gz PYDUZWJRDGCQGB-UHFFFAOYSA-N 1 0 389.931 4.219 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000184635445 822669154 /nfs/dbraw/zinc/66/91/54/822669154.db2.gz ISKSDECJPQGMRS-GOSISDBHSA-N 1 0 393.531 4.125 20 0 GIADRO CCOc1cccc2cc([C@@H](C)[NH2+]CC(=O)Nc3ccc(OC)c(OC)c3)oc21 ZINC000180355506 822669308 /nfs/dbraw/zinc/66/93/08/822669308.db2.gz SLVMTJQACUMNAL-CQSZACIVSA-N 1 0 398.459 4.138 20 0 GIADRO CC(C)Oc1ccc2ccccc2c1C[NH2+][C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000184641445 822669793 /nfs/dbraw/zinc/66/97/93/822669793.db2.gz DAJOUODZRWWCKF-TZIWHRDSSA-N 1 0 375.534 4.072 20 0 GIADRO CC(C)Oc1ccc(-c2ccc(NC(=O)N3CC[C@H]([NH+](C)C)C3)c(F)c2)cc1 ZINC000455519918 822669954 /nfs/dbraw/zinc/66/99/54/822669954.db2.gz VMZQKGVUAGOPLJ-SFHVURJKSA-N 1 0 385.483 4.448 20 0 GIADRO Cc1c(NC(=O)N(C)CCC[N@H+](C)Cc2ccco2)cccc1-c1ncco1 ZINC000455526046 822670681 /nfs/dbraw/zinc/67/06/81/822670681.db2.gz JLUIVVODXYLVSQ-UHFFFAOYSA-N 1 0 382.464 4.229 20 0 GIADRO COc1ccc(NC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)c(C(F)(F)F)c1 ZINC000048549729 822671448 /nfs/dbraw/zinc/67/14/48/822671448.db2.gz PSAHVFVVPXNMQC-HNNXBMFYSA-N 1 0 395.425 4.008 20 0 GIADRO CC(C)COC[C@@H]([NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)c1ccco1 ZINC000180378883 822672579 /nfs/dbraw/zinc/67/25/79/822672579.db2.gz VNYSIWCHGFPEDS-DAWZGUTISA-N 1 0 380.529 4.419 20 0 GIADRO O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)NC1CC[NH+](C2CCC2)CC1 ZINC000455551834 822673931 /nfs/dbraw/zinc/67/39/31/822673931.db2.gz FFIMSTMNRWQODX-LJQANCHMSA-N 1 0 395.469 4.473 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)N1CCc2cc(-c3ccccc3)oc2C1 ZINC000455562929 822674975 /nfs/dbraw/zinc/67/49/75/822674975.db2.gz OLUPELLALOHJMI-UHFFFAOYSA-N 1 0 379.504 4.031 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000455569181 822676141 /nfs/dbraw/zinc/67/61/41/822676141.db2.gz VSPBJCYTEBFWOB-UHFFFAOYSA-N 1 0 382.335 4.078 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)N1CCC[C@]2(CCCc3ccccc32)C1 ZINC000455570190 822676290 /nfs/dbraw/zinc/67/62/90/822676290.db2.gz WZSGVHRQCLXCLU-XMMPIXPASA-N 1 0 381.564 4.083 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1)c1ccc2c(c1)OCCCO2 ZINC000180407799 822676689 /nfs/dbraw/zinc/67/66/89/822676689.db2.gz RKSJMNAXAUGCIU-GOSISDBHSA-N 1 0 394.515 4.325 20 0 GIADRO Cc1cc(C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)nn1-c1ccc(F)cc1 ZINC000180409569 822676912 /nfs/dbraw/zinc/67/69/12/822676912.db2.gz QNQZBCDLONFBGB-PKOBYXMFSA-N 1 0 398.526 4.046 20 0 GIADRO COc1ccc([C@H]([NH2+]CCCc2nnc3n2CCCCC3)c2ccccc2)cc1 ZINC000180412599 822677532 /nfs/dbraw/zinc/67/75/32/822677532.db2.gz YXIHKYSJCDWDLV-XMMPIXPASA-N 1 0 390.531 4.325 20 0 GIADRO CC(C)[C@@H]([NH2+]Cc1cnc(-c2ccccc2)nc1)c1ccc2c(c1)OCCO2 ZINC000048684095 822678177 /nfs/dbraw/zinc/67/81/77/822678177.db2.gz CCDPRKNJBMUXLK-JOCHJYFZSA-N 1 0 375.472 4.402 20 0 GIADRO C[C@@H]1CN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C[C@H](c2ccccc2)O1 ZINC000184697446 822678252 /nfs/dbraw/zinc/67/82/52/822678252.db2.gz DVZSSSKUELQMGS-NFBKMPQASA-N 1 0 392.543 4.277 20 0 GIADRO C[C@H]1CN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C[C@H](c2ccccc2)O1 ZINC000184697465 822678302 /nfs/dbraw/zinc/67/83/02/822678302.db2.gz DVZSSSKUELQMGS-NZQKXSOJSA-N 1 0 392.543 4.277 20 0 GIADRO COc1cc(NC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc(OC)c1C ZINC000455583301 822678369 /nfs/dbraw/zinc/67/83/69/822678369.db2.gz YQBHXUXXFIZUML-MRXNPFEDSA-N 1 0 389.521 4.032 20 0 GIADRO Cc1cc(C(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)nc2ccccc12 ZINC000180422607 822679050 /nfs/dbraw/zinc/67/90/50/822679050.db2.gz RLKIGCMFQDQJCX-UHFFFAOYSA-N 1 0 388.515 4.317 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000184705585 822679508 /nfs/dbraw/zinc/67/95/08/822679508.db2.gz QZVKPQJLZPQRDF-QZTJIDSGSA-N 1 0 388.433 4.120 20 0 GIADRO C[C@@H]([NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000048715373 822679596 /nfs/dbraw/zinc/67/95/96/822679596.db2.gz IEGRGLGVQLHJHK-CQSZACIVSA-N 1 0 380.879 4.261 20 0 GIADRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2cc(Cl)cc(OC)c2O)ccc1OC ZINC000184707808 822679945 /nfs/dbraw/zinc/67/99/45/822679945.db2.gz PDXIGIWAZGRNOW-MRXNPFEDSA-N 1 0 390.867 4.034 20 0 GIADRO CCOc1ccccc1Oc1ccc(C[NH2+]Cc2ccc(OC)c(O)c2)cn1 ZINC000048745772 822680901 /nfs/dbraw/zinc/68/09/01/822680901.db2.gz QULJKTIINOECOE-UHFFFAOYSA-N 1 0 380.444 4.277 20 0 GIADRO CCNC(=O)COc1ccc(C[NH2+][C@@H](C)c2ccc(C(C)(C)C)cc2)cc1OC ZINC000048747800 822681024 /nfs/dbraw/zinc/68/10/24/822681024.db2.gz IHVQTXGPKLJUTA-KRWDZBQOSA-N 1 0 398.547 4.358 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000184718223 822681372 /nfs/dbraw/zinc/68/13/72/822681372.db2.gz ABTNXKVLMQKRRK-ROUUACIJSA-N 1 0 388.433 4.120 20 0 GIADRO CCOc1cc(C[NH2+][C@H](C)c2ccc(C)cc2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000048751820 822681420 /nfs/dbraw/zinc/68/14/20/822681420.db2.gz LSZQKNLFYJTMIS-MSOLQXFVSA-N 1 0 384.520 4.100 20 0 GIADRO CC(C)Oc1ncccc1C[NH2+][C@H](C)c1ccc(I)cc1 ZINC000048760518 822681579 /nfs/dbraw/zinc/68/15/79/822681579.db2.gz BKIQITBYWZQECQ-CYBMUJFWSA-N 1 0 396.272 4.324 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)CCc1cccc(F)c1F ZINC000180437707 822681924 /nfs/dbraw/zinc/68/19/24/822681924.db2.gz TXTINBRLSCJJJG-UHFFFAOYSA-N 1 0 387.474 4.058 20 0 GIADRO Cc1ccc(CN(Cc2ccco2)C(=O)NCCCC[N@@H+](C)C2CC2)s1 ZINC000455600460 822681941 /nfs/dbraw/zinc/68/19/41/822681941.db2.gz BMODDSWLSMKQHE-UHFFFAOYSA-N 1 0 375.538 4.236 20 0 GIADRO C[N@H+](CCCCNC(=O)N1CCC[C@H](COc2ccccc2Cl)C1)C1CC1 ZINC000455603589 822682772 /nfs/dbraw/zinc/68/27/72/822682772.db2.gz FXMNWNYNKQKAAY-KRWDZBQOSA-N 1 0 393.959 4.015 20 0 GIADRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)N[C@@H](c1ccccc1)C(F)F ZINC000455603248 822682778 /nfs/dbraw/zinc/68/27/78/822682778.db2.gz SFMUYDGWYNURLH-YJBOKZPZSA-N 1 0 393.503 4.266 20 0 GIADRO C[C@@H](NC(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)c1cccc(Cl)c1 ZINC000048780317 822682803 /nfs/dbraw/zinc/68/28/03/822682803.db2.gz SABIMWZFHRLVPV-MRXNPFEDSA-N 1 0 399.922 4.142 20 0 GIADRO COc1cccc(C[NH2+]Cc2cccc(NC(=O)c3cccc(F)c3)c2)c1OC ZINC000048781445 822682873 /nfs/dbraw/zinc/68/28/73/822682873.db2.gz DYHFSLSMGMICOG-UHFFFAOYSA-N 1 0 394.446 4.385 20 0 GIADRO Cc1[nH]c2ccccc2c1CC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180443407 822683021 /nfs/dbraw/zinc/68/30/21/822683021.db2.gz FEYXFRQATRJASQ-UHFFFAOYSA-N 1 0 390.531 4.179 20 0 GIADRO O=C(c1ccncc1)N1CCC([NH2+]Cc2ccc(-c3ccc(F)cc3)s2)CC1 ZINC000048785444 822683081 /nfs/dbraw/zinc/68/30/81/822683081.db2.gz HVUICJBXCKLGMY-UHFFFAOYSA-N 1 0 395.503 4.344 20 0 GIADRO COc1ccccc1SC[C@H](C)C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000180445606 822683386 /nfs/dbraw/zinc/68/33/86/822683386.db2.gz KRFWWRUIWUZLIU-CVEARBPZSA-N 1 0 393.574 4.178 20 0 GIADRO COc1ccccc1SC[C@@H](C)C[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000180446590 822683614 /nfs/dbraw/zinc/68/36/14/822683614.db2.gz XDKWOGHPZXTATN-SFHVURJKSA-N 1 0 385.577 4.073 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(C2CC2)n1 ZINC000455608839 822683843 /nfs/dbraw/zinc/68/38/43/822683843.db2.gz BQJRHAZHPXPHAQ-IBGZPJMESA-N 1 0 378.520 4.335 20 0 GIADRO CC[C@H]([NH2+]CCOc1cccc(NC(C)=O)c1)c1ccc(OC(F)F)cc1 ZINC000180449248 822684064 /nfs/dbraw/zinc/68/40/64/822684064.db2.gz AYTGDEXUIYMZMO-IBGZPJMESA-N 1 0 378.419 4.366 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@@H]2C[C@@H]2c2cc(F)c(F)c(F)c2)C1 ZINC000184737519 822684175 /nfs/dbraw/zinc/68/41/75/822684175.db2.gz LYVONBWZKHFDLI-YALNPMBYSA-N 1 0 382.470 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4.156 20 0 GIADRO Cc1cc(Br)cc(C[NH2+]Cc2nc3ccccc3n2C2CC2)c1O ZINC000184784346 822690518 /nfs/dbraw/zinc/69/05/18/822690518.db2.gz OAHYIVWUSVAEQE-UHFFFAOYSA-N 1 0 386.293 4.438 20 0 GIADRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CC(=O)N3CCC[C@H](C)C3)s2)cc1 ZINC000184792954 822691697 /nfs/dbraw/zinc/69/16/97/822691697.db2.gz SZDMWUGPOKSABF-LSDHHAIUSA-N 1 0 387.549 4.036 20 0 GIADRO C[NH+](C)CCn1nccc1NC(=O)N1CCC(c2ccc(C(C)(C)C)cc2)CC1 ZINC000455652891 822692159 /nfs/dbraw/zinc/69/21/59/822692159.db2.gz ZWAXYEVXHFJLHF-UHFFFAOYSA-N 1 0 397.567 4.154 20 0 GIADRO CCCOc1ccc(C(=O)N2CCC(C[NH+](CC)CC)CC2)cc1OCC ZINC000049075674 822692432 /nfs/dbraw/zinc/69/24/32/822692432.db2.gz OMWVEWGEPBATNK-UHFFFAOYSA-N 1 0 376.541 4.068 20 0 GIADRO CC[NH+](CC)CC1CCN(C(=O)c2cccc(NC(=O)OC(C)(C)C)c2)CC1 ZINC000049075455 822692457 /nfs/dbraw/zinc/69/24/57/822692457.db2.gz XIINZELTXICRIV-UHFFFAOYSA-N 1 0 389.540 4.228 20 0 GIADRO O=C(NNc1cc[nH+]cc1)c1cccnc1Oc1ccc(Cl)cc1Cl ZINC000180514876 822694571 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MJOZVNJDBROFHY-SIKLNZKXSA-N 1 0 393.531 4.319 20 0 GIADRO O=C(Nc1ccc(C2CCC2)cn1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000455672820 822697050 /nfs/dbraw/zinc/69/70/50/822697050.db2.gz FMOLKUKNWYQAKF-FCHUYYIVSA-N 1 0 390.531 4.335 20 0 GIADRO Cc1nc2c(s1)[C@H]([NH2+]C[C@H](c1cccc(Cl)c1)N1CCOCC1)CCC2 ZINC000180535580 822698099 /nfs/dbraw/zinc/69/80/99/822698099.db2.gz WMNXSUDBUCAQRY-IEBWSBKVSA-N 1 0 391.968 4.145 20 0 GIADRO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCNC(=O)c1ccccc1Cl)CC3 ZINC000180538450 822698429 /nfs/dbraw/zinc/69/84/29/822698429.db2.gz VXGXYHCRWVYRRN-OAHLLOKOSA-N 1 0 381.907 4.007 20 0 GIADRO Cc1cc(C(=O)Nc2ccc(C)cc2C[NH+](C)C)nn1-c1ccccc1Cl ZINC000180538177 822698466 /nfs/dbraw/zinc/69/84/66/822698466.db2.gz ZELHNSOBRAVZEQ-UHFFFAOYSA-N 1 0 382.895 4.456 20 0 GIADRO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CCNC(=O)c1ccccc1Cl)CC3 ZINC000180538433 822698501 /nfs/dbraw/zinc/69/85/01/822698501.db2.gz VXGXYHCRWVYRRN-HNNXBMFYSA-N 1 0 381.907 4.007 20 0 GIADRO Cc1csc([C@H](NC(=O)NCCC[N@@H+](C)C2CCCCC2)C(F)(F)F)n1 ZINC000455681672 822699534 /nfs/dbraw/zinc/69/95/34/822699534.db2.gz ADLJZPYSJNHEPI-AWEZNQCLSA-N 1 0 392.491 4.009 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)COc2ccc(Cl)cc2Cl)[NH+](C)C)cc1 ZINC000049407785 822700356 /nfs/dbraw/zinc/70/03/56/822700356.db2.gz MGWYTIXVXAJADL-QGZVFWFLSA-N 1 0 381.303 4.100 20 0 GIADRO C[C@H]1[C@H](NC(=O)Nc2nc(CC(F)(F)F)cs2)CC[N@@H+]1Cc1ccccc1 ZINC000455686315 822701255 /nfs/dbraw/zinc/70/12/55/822701255.db2.gz OCSNQHATUWSBIR-SWLSCSKDSA-N 1 0 398.454 4.032 20 0 GIADRO COCC[C@](C)(O)C[NH2+][C@@H](c1ccc(Br)cc1)c1ccccc1F ZINC000180555805 822701684 /nfs/dbraw/zinc/70/16/84/822701684.db2.gz XEWLGVJKSYWKEU-OALUTQOASA-N 1 0 396.300 4.055 20 0 GIADRO FC(F)CN1CCC[N@H+](CCCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000180569967 822704220 /nfs/dbraw/zinc/70/42/20/822704220.db2.gz QHCVUUUTGDJCKZ-UHFFFAOYSA-N 1 0 380.401 4.137 20 0 GIADRO CCc1ccc([C@@H]([NH2+]CCCCSC)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000180578448 822705512 /nfs/dbraw/zinc/70/55/12/822705512.db2.gz LLVWEIVLVJKXTL-OAQYLSRUSA-N 1 0 391.602 4.475 20 0 GIADRO Cc1ccc(F)c(Br)c1NC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000455698538 822705569 /nfs/dbraw/zinc/70/55/69/822705569.db2.gz RRQFYQYAOUNSHW-UHFFFAOYSA-N 1 0 384.293 4.035 20 0 GIADRO CN(CCC[NH+](C)C)C(=O)Nc1ccc(Br)c(Cl)c1Cl ZINC000184877062 822705664 /nfs/dbraw/zinc/70/56/64/822705664.db2.gz KPIWUXFRLWFZDK-UHFFFAOYSA-N 1 0 383.117 4.171 20 0 GIADRO O=C(Nc1nc(CC(F)(F)F)cs1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000455706243 822708115 /nfs/dbraw/zinc/70/81/15/822708115.db2.gz UPDVGQGNRPWUBU-OAHLLOKOSA-N 1 0 398.454 4.207 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)Nc2cn(C)nc2C2CCCCC2)CC1 ZINC000455707153 822708738 /nfs/dbraw/zinc/70/87/38/822708738.db2.gz DJAQVVZENLFYKO-UHFFFAOYSA-N 1 0 389.588 4.444 20 0 GIADRO Cn1cc(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c(C2CCCCC2)n1 ZINC000455707912 822708943 /nfs/dbraw/zinc/70/89/43/822708943.db2.gz FYKXZOCOCIHNPR-LJQANCHMSA-N 1 0 399.539 4.410 20 0 GIADRO CC(C)n1ncc2cc(C[N@@H+]3CCC[C@H]3C[C@H](O)c3ccco3)c(Cl)nc21 ZINC000180601653 822709362 /nfs/dbraw/zinc/70/93/62/822709362.db2.gz QASXDZRWBBHHBF-IRXDYDNUSA-N 1 0 388.899 4.347 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)N(C)[C@@H]1CCc2ccccc21)[NH+]1CCCC1 ZINC000049790090 822709459 /nfs/dbraw/zinc/70/94/59/822709459.db2.gz WJBJFZSCXUIELI-YADHBBJMSA-N 1 0 393.531 4.161 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)N3CCC[C@H]3c3ccccc3)c2)CC1 ZINC000184897995 822709587 /nfs/dbraw/zinc/70/95/87/822709587.db2.gz VRUWDQDMXZDMML-QFIPXVFZSA-N 1 0 378.520 4.198 20 0 GIADRO COc1ccc([C@H]([NH2+]CCCOC[C@H]2CCOC2)c2ccccc2Cl)cc1 ZINC000180604277 822709944 /nfs/dbraw/zinc/70/99/44/822709944.db2.gz AHPMHVNGBJUMSF-VGSWGCGISA-N 1 0 389.923 4.471 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1ccccc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000180604301 822710144 /nfs/dbraw/zinc/71/01/44/822710144.db2.gz YFCFWEWMWNNJIK-INIZCTEOSA-N 1 0 391.446 4.367 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)N3C[C@@H](c4ccccc4)C[C@H]3C)c2)CC1 ZINC000184906939 822711299 /nfs/dbraw/zinc/71/12/99/822711299.db2.gz OIZGHKPJWCNWBX-CTNGQTDRSA-N 1 0 392.547 4.238 20 0 GIADRO O=C(Nc1ccccc1OCCF)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000455716143 822711495 /nfs/dbraw/zinc/71/14/95/822711495.db2.gz NDENHSYAXLGNNI-UHFFFAOYSA-N 1 0 399.510 4.207 20 0 GIADRO C[C@H]1CC[N@H+](Cc2cccc3c2N(C(=O)OC(C)(C)C)CC3)C[C@@H]1n1ccnc1 ZINC000180610631 822711988 /nfs/dbraw/zinc/71/19/88/822711988.db2.gz HLWNJEHLMLJFIG-PXNSSMCTSA-N 1 0 396.535 4.264 20 0 GIADRO COc1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)cc1F ZINC000184917034 822712603 /nfs/dbraw/zinc/71/26/03/822712603.db2.gz PIADABXYDONUSL-MGPLVRAMSA-N 1 0 386.236 4.120 20 0 GIADRO C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000184925063 822713944 /nfs/dbraw/zinc/71/39/44/822713944.db2.gz XKUAIZLKYSTDEC-APWZRJJASA-N 1 0 376.928 4.026 20 0 GIADRO COC(=O)c1sc2ccccc2c1C[N@@H+]1CCC[C@H](c2nncn2C(C)C)C1 ZINC000180621531 822714280 /nfs/dbraw/zinc/71/42/80/822714280.db2.gz HVGRFXGYCKBOFT-HNNXBMFYSA-N 1 0 398.532 4.240 20 0 GIADRO COC(=O)CC[C@H]([NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC000180620955 822714352 /nfs/dbraw/zinc/71/43/52/822714352.db2.gz VZRQSHWAJAHHAO-ACBHZAAOSA-N 1 0 390.524 4.106 20 0 GIADRO CC(C)n1cnnc1[C@H]1CCC[N@H+](Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC000180623611 822714757 /nfs/dbraw/zinc/71/47/57/822714757.db2.gz WOUFDPUSOHMUIP-IBGZPJMESA-N 1 0 384.524 4.194 20 0 GIADRO C[C@@H](NC(=O)Nc1ccccc1OCCF)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000455727315 822715039 /nfs/dbraw/zinc/71/50/39/822715039.db2.gz WIFXEUMJFWFBSO-IEBWSBKVSA-N 1 0 385.483 4.067 20 0 GIADRO O=C(c1ccccc1)C1CCN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000050028804 822715079 /nfs/dbraw/zinc/71/50/79/822715079.db2.gz AJUZQTOOHAATAC-QHCPKHFHSA-N 1 0 390.527 4.020 20 0 GIADRO Cc1cc(Cl)c(NC(=O)N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1C ZINC000455733421 822716582 /nfs/dbraw/zinc/71/65/82/822716582.db2.gz OAMQFVVMVRVHMQ-IAGOWNOFSA-N 1 0 393.959 4.310 20 0 GIADRO C[C@H]1CN(C(=O)Nc2ccccc2OCCF)CC[N@H+](Cc2ccccc2)C1 ZINC000455742822 822718112 /nfs/dbraw/zinc/71/81/12/822718112.db2.gz ZUDBGCVFLAYOHN-GOSISDBHSA-N 1 0 385.483 4.021 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1Cl)c1ccc(NC(=O)C2CC2)cc1 ZINC000184957043 822718225 /nfs/dbraw/zinc/71/82/25/822718225.db2.gz JBROALPCMGYKBZ-BUXKBTBVSA-N 1 0 376.859 4.212 20 0 GIADRO Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]Cc1cc(=O)n2ccccc2n1 ZINC000184963659 822719146 /nfs/dbraw/zinc/71/91/46/822719146.db2.gz SNGSIUVVEHJOFT-IBGZPJMESA-N 1 0 375.497 4.138 20 0 GIADRO Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+][C@H]1CCN(CC(F)(F)F)C1=O ZINC000184965182 822719316 /nfs/dbraw/zinc/71/93/16/822719316.db2.gz RBPHUJFXHIUBOP-JKSUJKDBSA-N 1 0 382.451 4.093 20 0 GIADRO CC(=O)c1cccc(OC[C@@H](O)C[NH2+][C@H](Cc2ccccc2)c2cccs2)c1 ZINC000184967439 822719655 /nfs/dbraw/zinc/71/96/55/822719655.db2.gz YGQZJRWCHDKZJT-RBBKRZOGSA-N 1 0 395.524 4.264 20 0 GIADRO C[C@H](NC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(F)cc1F ZINC000050137262 822720031 /nfs/dbraw/zinc/72/00/31/822720031.db2.gz GQXAIDHNTRBCOR-GJZGRUSLSA-N 1 0 393.503 4.299 20 0 GIADRO CCCn1ncc(NC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)c1C1CC1 ZINC000455755829 822720495 /nfs/dbraw/zinc/72/04/95/822720495.db2.gz PEQIVNKRDCOBRC-GOSISDBHSA-N 1 0 389.931 4.248 20 0 GIADRO CCCn1ncc(NC(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)c1C1CC1 ZINC000455761645 822721579 /nfs/dbraw/zinc/72/15/79/822721579.db2.gz YIYBFOOOCPSBCF-NRFANRHFSA-N 1 0 395.551 4.203 20 0 GIADRO CC[C@@H](C)n1c2ccc(NC(=O)N(C)CC[NH+](C)C)cc2nc1C(F)(F)F ZINC000455774070 822724075 /nfs/dbraw/zinc/72/40/75/822724075.db2.gz BAIJMMCFQCQEEK-GFCCVEGCSA-N 1 0 385.434 4.051 20 0 GIADRO Cc1nc(C(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)c(-c2ccccc2)o1 ZINC000185011150 822725034 /nfs/dbraw/zinc/72/50/34/822725034.db2.gz DPRJLKZYXWDOOM-SFHVURJKSA-N 1 0 389.499 4.387 20 0 GIADRO C[C@@H]([NH2+]Cc1cc(-c2cnn(C)c2)no1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000185061228 822731038 /nfs/dbraw/zinc/73/10/38/822731038.db2.gz XCPFEYITQHGFBG-CHWSQXEVSA-N 1 0 378.398 4.376 20 0 GIADRO CN(C[C@H]1OCCc2ccccc21)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455836142 822734091 /nfs/dbraw/zinc/73/40/91/822734091.db2.gz ASZCLQSRSFQRLD-FCHUYYIVSA-N 1 0 379.504 4.013 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC3(c4ccc(F)cc4)CCOCC3)ccc21 ZINC000455836878 822734444 /nfs/dbraw/zinc/73/44/44/822734444.db2.gz BDEOSSPWDVIESM-OAQYLSRUSA-N 1 0 397.494 4.202 20 0 GIADRO CC(C)c1ncsc1NC(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000455844568 822735841 /nfs/dbraw/zinc/73/58/41/822735841.db2.gz LACFRVBIMJGBLK-IYBDPMFKSA-N 1 0 394.585 4.010 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CCC[C@@]4(C3)OCc3ccccc34)ccc21 ZINC000455848551 822736467 /nfs/dbraw/zinc/73/64/67/822736467.db2.gz JNIHJFCQJUQSTJ-UPVQGACJSA-N 1 0 391.515 4.289 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CCO[C@@H](CCc4ccccc4)C3)ccc21 ZINC000455849421 822736647 /nfs/dbraw/zinc/73/66/47/822736647.db2.gz KBFUGOJRCVHNBP-GMAHTHKFSA-N 1 0 393.531 4.101 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC(C)(C)c3cc(C(F)(F)F)on3)ccc21 ZINC000455853071 822737390 /nfs/dbraw/zinc/73/73/90/822737390.db2.gz MKWKEDOLHCBOTL-CQSZACIVSA-N 1 0 396.413 4.299 20 0 GIADRO C[C@H]([NH2+]C1CCN(c2ccccc2)CC1)c1cc(Br)ccc1O ZINC000185104125 822737594 /nfs/dbraw/zinc/73/75/94/822737594.db2.gz JGLKLAJVFWDYMK-AWEZNQCLSA-N 1 0 375.310 4.474 20 0 GIADRO COc1cc2c(cc1F)CC[C@@H]2NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455858206 822738179 /nfs/dbraw/zinc/73/81/79/822738179.db2.gz PAQVANWSDDEMOB-PMACEKPBSA-N 1 0 383.467 4.192 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N[C@@H]3CCOc4c(F)ccc(F)c43)ccc21 ZINC000455859135 822738377 /nfs/dbraw/zinc/73/83/77/822738377.db2.gz PPGGQSFQVAAREO-MSOLQXFVSA-N 1 0 387.430 4.159 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCc3ccccc3OC(F)F)ccc21 ZINC000455860246 822738747 /nfs/dbraw/zinc/73/87/47/822738747.db2.gz JNHHZBWXEVLIFA-QGZVFWFLSA-N 1 0 375.419 4.159 20 0 GIADRO Cc1cc(N2CCSCC2)ccc1NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000050806531 822739284 /nfs/dbraw/zinc/73/92/84/822739284.db2.gz PUCJMJBCIHWPIK-JOCHJYFZSA-N 1 0 395.572 4.151 20 0 GIADRO C[C@](O)(C[NH2+]Cc1c[nH]nc1-c1c(F)cccc1F)c1cccc(Cl)c1 ZINC000185118092 822739356 /nfs/dbraw/zinc/73/93/56/822739356.db2.gz NTLJPKTYCVXBJL-IBGZPJMESA-N 1 0 377.822 4.006 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CC(C)(C)O[C@@](C)(C(F)(F)F)C3)ccc21 ZINC000455868683 822739891 /nfs/dbraw/zinc/73/98/91/822739891.db2.gz VUOVIOLZRPLABN-QFBILLFUSA-N 1 0 399.457 4.199 20 0 GIADRO CCc1ccc(NC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)cc1OC ZINC000455873536 822740594 /nfs/dbraw/zinc/74/05/94/822740594.db2.gz HPJIJYSWNRSVBM-UHFFFAOYSA-N 1 0 382.508 4.033 20 0 GIADRO CCCN(CCc1cccs1)C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185129473 822740613 /nfs/dbraw/zinc/74/06/13/822740613.db2.gz PGKOHWDHLQXCDF-ZWKOTPCHSA-N 1 0 377.598 4.365 20 0 GIADRO C[C@@H](NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)c1ccc2c(c1)CCC(=O)N2 ZINC000455873765 822740746 /nfs/dbraw/zinc/74/07/46/822740746.db2.gz ABPCVYSDDKXDNT-SZNDQCEHSA-N 1 0 392.503 4.003 20 0 GIADRO COc1ccccc1OC[C@@H](C)CNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455875252 822740864 /nfs/dbraw/zinc/74/08/64/822740864.db2.gz AVPAVFRVKDWTPU-OXJNMPFZSA-N 1 0 397.519 4.081 20 0 GIADRO C[C@@H]1CN(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C[C@@H](c2ccsc2)O1 ZINC000455876137 822741052 /nfs/dbraw/zinc/74/10/52/822741052.db2.gz BCHFQWQMCSDIKV-XMCHAPAWSA-N 1 0 385.533 4.291 20 0 GIADRO Cc1nc(NC(=O)N2CCC[C@@H]([NH+](C)C)CC2)sc1Cc1ccccc1F ZINC000455889531 822743062 /nfs/dbraw/zinc/74/30/62/822743062.db2.gz KBHYYFHMDRROLT-MRXNPFEDSA-N 1 0 390.528 4.129 20 0 GIADRO Cc1nc(NC(=O)N2CCC[C@H]([NH+](C)C)CC2)sc1Cc1ccccc1F ZINC000455889530 822743077 /nfs/dbraw/zinc/74/30/77/822743077.db2.gz KBHYYFHMDRROLT-INIZCTEOSA-N 1 0 390.528 4.129 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)Nc1scnc1C(C)C ZINC000455891326 822743229 /nfs/dbraw/zinc/74/32/29/822743229.db2.gz IZFVZHQZXZPQET-UHFFFAOYSA-N 1 0 390.553 4.309 20 0 GIADRO Cc1nc(NC(=O)N2CCC([NH2+]C(C)C)CC2)sc1Cc1cccc(F)c1 ZINC000455894231 822743850 /nfs/dbraw/zinc/74/38/50/822743850.db2.gz OEEWQTCPXXJKQY-UHFFFAOYSA-N 1 0 390.528 4.176 20 0 GIADRO Cc1nc2cc(F)cc(C(=O)Nc3ccc(C[NH+]4CCCC4)cc3)c2nc1C ZINC000051012975 822744021 /nfs/dbraw/zinc/74/40/21/822744021.db2.gz YOSAKYGHNOZAME-UHFFFAOYSA-N 1 0 378.451 4.234 20 0 GIADRO CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455896896 822744333 /nfs/dbraw/zinc/74/43/33/822744333.db2.gz DISAQNGJZZRGHI-DLPLYFIVSA-N 1 0 385.483 4.272 20 0 GIADRO Cc1nc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)sc1Cc1cccc(F)c1 ZINC000455899610 822744845 /nfs/dbraw/zinc/74/48/45/822744845.db2.gz SWKRPVGVWQJYQY-DYVFJYSZSA-N 1 0 390.528 4.128 20 0 GIADRO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000051049246 822744940 /nfs/dbraw/zinc/74/49/40/822744940.db2.gz DWEVDEHKYBFBRM-UGKGYDQZSA-N 1 0 395.547 4.177 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N(CCc3ccccc3)[C@@H]3CCOC3)ccc21 ZINC000455902895 822745399 /nfs/dbraw/zinc/74/53/99/822745399.db2.gz GNSGDASHJHUQBQ-GGAORHGYSA-N 1 0 393.531 4.101 20 0 GIADRO CC(C)[C@H](CO)N(Cc1ccccc1)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455902882 822745406 /nfs/dbraw/zinc/74/54/06/822745406.db2.gz GLVNQNBROOMBGZ-PKTZIBPZSA-N 1 0 395.547 4.287 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCCCOCCc3ccccc3)ccc21 ZINC000455902864 822745456 /nfs/dbraw/zinc/74/54/56/822745456.db2.gz GKKVLJMVWYNATM-JOCHJYFZSA-N 1 0 381.520 4.006 20 0 GIADRO CC[C@H]1c2ccsc2CC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000185184871 822746615 /nfs/dbraw/zinc/74/66/15/822746615.db2.gz JKBCAZPEKMWZDC-INIZCTEOSA-N 1 0 377.441 4.133 20 0 GIADRO Cc1ccc(CN(C(=O)C[N@H+](C)C[C@H]2CCCO[C@@H]2c2ccccc2)C2CC2)o1 ZINC000051132181 822747052 /nfs/dbraw/zinc/74/70/52/822747052.db2.gz IMKKVYIVBSNPOC-HYBUGGRVSA-N 1 0 396.531 4.179 20 0 GIADRO CCN(Cc1cccc(F)c1)C(=O)C[N@H+](C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133093 822747481 /nfs/dbraw/zinc/74/74/81/822747481.db2.gz LGVWORAKPZCUNQ-ZJSXRUAMSA-N 1 0 398.522 4.274 20 0 GIADRO C[C@@H](C(=O)NCC1CC[NH+](Cc2cccs2)CC1)c1cn(C)c2ccccc12 ZINC000185195916 822747988 /nfs/dbraw/zinc/74/79/88/822747988.db2.gz MACNWXJSVFHTMB-QGZVFWFLSA-N 1 0 395.572 4.372 20 0 GIADRO C[C@@H](c1ccc(C(=O)N2CC[C@H](OCC[NH+]3CCCCC3)C2)cc1)C(F)(F)F ZINC000455913228 822748026 /nfs/dbraw/zinc/74/80/26/822748026.db2.gz YUNNSFHWNQJPHO-LPHOPBHVSA-N 1 0 398.469 4.069 20 0 GIADRO C[C@H](NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)c1ccc(-n2cccn2)cc1 ZINC000455919708 822749437 /nfs/dbraw/zinc/74/94/37/822749437.db2.gz LPAAFANYIUHWQM-KSFYIVLOSA-N 1 0 389.503 4.304 20 0 GIADRO COc1cc(C[NH2+][C@@H]2c3ccccc3C[C@@H]2O)ccc1OCc1cccs1 ZINC000051188159 822749883 /nfs/dbraw/zinc/74/98/83/822749883.db2.gz JQQWAOURYRTJDS-SIKLNZKXSA-N 1 0 381.497 4.084 20 0 GIADRO CC[C@H]1CCCC[C@H]1OCC(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000185216817 822750386 /nfs/dbraw/zinc/75/03/86/822750386.db2.gz SUHBVTVVCLKSKX-PGRDOPGGSA-N 1 0 387.568 4.141 20 0 GIADRO Cc1nc(NC(=O)N2CC[C@@H](C[NH+](C)C)C2)sc1Cc1cccc(Cl)c1 ZINC000455925073 822750403 /nfs/dbraw/zinc/75/04/03/822750403.db2.gz KDGXCKYBBKZJHE-HNNXBMFYSA-N 1 0 392.956 4.111 20 0 GIADRO C[C@@H]1CN(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C[C@@H](c2ccc(F)cc2)O1 ZINC000455929962 822751450 /nfs/dbraw/zinc/75/14/50/822751450.db2.gz ONDGBXDZMLCFSH-YDFBLROQSA-N 1 0 397.494 4.369 20 0 GIADRO CC(C)[C@H]1C[C@@H]1C(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000185224368 822751432 /nfs/dbraw/zinc/75/14/32/822751432.db2.gz OYTWVGOGZNKHHO-MOPGFXCFSA-N 1 0 382.470 4.420 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC[C@H]3SCCc4ccccc43)ccc21 ZINC000455929979 822751467 /nfs/dbraw/zinc/75/14/67/822751467.db2.gz OONISDGGSLGXOZ-NHCUHLMSSA-N 1 0 381.545 4.388 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CCC[C@@H](Nc4ccccc4)C3)ccc21 ZINC000455929983 822751603 /nfs/dbraw/zinc/75/16/03/822751603.db2.gz OOYAQNSAAOVBPY-IRLDBZIGSA-N 1 0 378.520 4.344 20 0 GIADRO C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185232177 822752596 /nfs/dbraw/zinc/75/25/96/822752596.db2.gz CWISCUXDJHFWIJ-ZDUSSCGKSA-N 1 0 383.319 4.490 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CC[C@H](Cc4ccc(F)cc4)C3)ccc21 ZINC000455935228 822752827 /nfs/dbraw/zinc/75/28/27/822752827.db2.gz RJEBPTLWTUQSSI-VGSWGCGISA-N 1 0 381.495 4.471 20 0 GIADRO COc1ccc(C[C@H](C)C[NH+]2CCC(NC(=O)c3ccccc3C)CC2)cc1F ZINC000185238329 822753192 /nfs/dbraw/zinc/75/31/92/822753192.db2.gz LBWJAZRKADWBEU-KRWDZBQOSA-N 1 0 398.522 4.216 20 0 GIADRO C[C@@H]1[C@@H](C)CCCN1C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000455938911 822753469 /nfs/dbraw/zinc/75/34/69/822753469.db2.gz FWXPLWOUGXHXDF-LSDHHAIUSA-N 1 0 379.932 4.465 20 0 GIADRO C[C@H]1CN(C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)CC[C@@H]1C ZINC000455941644 822754236 /nfs/dbraw/zinc/75/42/36/822754236.db2.gz JOBIHXWOLNCPAJ-GJZGRUSLSA-N 1 0 379.932 4.323 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CCO[C@@H](c4ccccc4Cl)C3)ccc21 ZINC000455943567 822754738 /nfs/dbraw/zinc/75/47/38/822754738.db2.gz VHFWLXFRLRWREI-LEWJYISDSA-N 1 0 399.922 4.494 20 0 GIADRO COc1ccc(C[C@H](C)C[N@@H+]2CCc3c(cccc3N3CCOC3=O)C2)cc1F ZINC000185254856 822755132 /nfs/dbraw/zinc/75/51/32/822755132.db2.gz ZQXATVHJXXFXHK-INIZCTEOSA-N 1 0 398.478 4.028 20 0 GIADRO CN(Cc1ccc(Br)o1)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455945579 822755428 /nfs/dbraw/zinc/75/54/28/822755428.db2.gz WKMGXSQQAKSURH-INIZCTEOSA-N 1 0 392.297 4.255 20 0 GIADRO CC[NH+](CC)CCOc1ccc(NC(=O)N2C[C@@H](C)C[C@H]2c2cccnc2)cc1 ZINC000185257758 822755563 /nfs/dbraw/zinc/75/55/63/822755563.db2.gz XXNQQDWMZJOSSM-AVRDEDQJSA-N 1 0 396.535 4.417 20 0 GIADRO CO[C@H](C)CN(C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1)C(C)C ZINC000455947321 822756056 /nfs/dbraw/zinc/75/60/56/822756056.db2.gz RIXCZSSPQVQCES-OAHLLOKOSA-N 1 0 397.947 4.090 20 0 GIADRO CN(Cc1nc2c(s1)CCCC2)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455948895 822756373 /nfs/dbraw/zinc/75/63/73/822756373.db2.gz YOXLXORTHSHFRC-SFHVURJKSA-N 1 0 384.549 4.235 20 0 GIADRO CN(c1ccccc1)C1CCN(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC1 ZINC000455948846 822756377 /nfs/dbraw/zinc/75/63/77/822756377.db2.gz YKUXBUIJJFNCRU-QHCPKHFHSA-N 1 0 392.547 4.368 20 0 GIADRO Cc1ccc([C@H]([NH2+]Cc2cnc(N3CCOCC3)c(F)c2)c2ccccc2)cc1 ZINC000185267808 822757108 /nfs/dbraw/zinc/75/71/08/822757108.db2.gz SELWXOZVOHNOEN-HSZRJFAPSA-N 1 0 391.490 4.245 20 0 GIADRO Cc1cc2cc([C@@H](C)[NH2+]Cc3cnc(N4CCOCC4)c(F)c3)oc2cc1C ZINC000185269274 822757254 /nfs/dbraw/zinc/75/72/54/822757254.db2.gz DTUDOKCNVYMFCC-MRXNPFEDSA-N 1 0 383.467 4.271 20 0 GIADRO CC(C)CCc1ccc(NC(=O)N2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)nc1 ZINC000455959682 822757489 /nfs/dbraw/zinc/75/74/89/822757489.db2.gz LRZVVFYGYAVBCF-OAQYLSRUSA-N 1 0 395.551 4.051 20 0 GIADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3cc(Cl)cc(Br)c3)CC[C@H]21 ZINC000455967909 822758716 /nfs/dbraw/zinc/75/87/16/822758716.db2.gz IQZOADGNUWGKHI-IAQYHMDHSA-N 1 0 386.721 4.051 20 0 GIADRO C[NH+]1CCC2(CCCN2C(=O)Nc2cc(Cl)cc(Br)c2)CC1 ZINC000455967386 822758760 /nfs/dbraw/zinc/75/87/60/822758760.db2.gz IDKRSYVMBUMJMB-UHFFFAOYSA-N 1 0 386.721 4.195 20 0 GIADRO Cc1ncc(C[N@H+](C)C[C@@H](O)CO[C@@H](c2ccccc2)c2ccccc2C)s1 ZINC000051408097 822758971 /nfs/dbraw/zinc/75/89/71/822758971.db2.gz JMPFIQKHDWOCOV-OFNKIYASSA-N 1 0 396.556 4.359 20 0 GIADRO CC1CC[NH+](C2CCC(NC(=O)[C@@H]3C[C@H]3c3cc(F)c(F)c(F)c3)CC2)CC1 ZINC000185286491 822759815 /nfs/dbraw/zinc/75/98/15/822759815.db2.gz LJECVGVXKZYBJO-ZGUYJTEBSA-N 1 0 394.481 4.367 20 0 GIADRO CC1CC[NH+](C2CCC(NC(=O)[C@H]3C[C@@H]3c3cc(F)c(F)c(F)c3)CC2)CC1 ZINC000185286472 822759827 /nfs/dbraw/zinc/75/98/27/822759827.db2.gz LJECVGVXKZYBJO-HIEASXQVSA-N 1 0 394.481 4.367 20 0 GIADRO CCc1c2ccccc2oc1[C@@H](C)[NH2+]Cc1cccc(N2CCCS2(=O)=O)c1 ZINC000185291258 822760352 /nfs/dbraw/zinc/76/03/52/822760352.db2.gz MYRKQMNXVBJEII-MRXNPFEDSA-N 1 0 398.528 4.386 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)c1cccc(C(F)(F)F)c1 ZINC000185293342 822760939 /nfs/dbraw/zinc/76/09/39/822760939.db2.gz IHNFAPHMPPVFOH-AWEZNQCLSA-N 1 0 398.450 4.096 20 0 GIADRO COc1ccccc1-c1ccc(C[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)cc1 ZINC000174277896 822761854 /nfs/dbraw/zinc/76/18/54/822761854.db2.gz IMNGHKJQDFTRAD-KRWDZBQOSA-N 1 0 378.438 4.336 20 0 GIADRO C[C@H](CC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)C(=O)c1cccc(F)c1 ZINC000174281267 822762306 /nfs/dbraw/zinc/76/23/06/822762306.db2.gz FOIAICCBYZQTQS-GOSISDBHSA-N 1 0 396.506 4.063 20 0 GIADRO CN1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000185311618 822763871 /nfs/dbraw/zinc/76/38/71/822763871.db2.gz RTQYSZGZIVMFRX-WMZOPIPTSA-N 1 0 381.810 4.061 20 0 GIADRO OCC1CC[NH+](Cc2ccccc2NCc2ncc(-c3ccccc3F)o2)CC1 ZINC000174307013 822768255 /nfs/dbraw/zinc/76/82/55/822768255.db2.gz WHKXAMQNCSVDNO-UHFFFAOYSA-N 1 0 395.478 4.297 20 0 GIADRO CC(=O)N1CC[C@@H]([NH2+]Cc2cccc3c2OC(C)(C)C3)c2ccc(F)cc2C1 ZINC000185355693 822770374 /nfs/dbraw/zinc/77/03/74/822770374.db2.gz UVUWFXDCSFOULJ-OAQYLSRUSA-N 1 0 382.479 4.122 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Nc1cccc(CC(F)(F)F)c1)c1cccc(F)c1 ZINC000174325318 822771251 /nfs/dbraw/zinc/77/12/51/822771251.db2.gz LHNGFUNEQFZZIM-KRWDZBQOSA-N 1 0 383.389 4.355 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Nc1cccc(CC(F)(F)F)c1)c1ccc(F)cc1 ZINC000174325705 822771257 /nfs/dbraw/zinc/77/12/57/822771257.db2.gz ACWCUWCLTXDAFS-KRWDZBQOSA-N 1 0 383.389 4.355 20 0 GIADRO CC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC(F)F)cc2)c2ccc(F)cc2C1 ZINC000185360411 822771247 /nfs/dbraw/zinc/77/12/47/822771247.db2.gz UBARPTCJCLHDIP-IBGZPJMESA-N 1 0 378.394 4.010 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1cccc(CC(F)(F)F)c1)c1ccc(F)cc1 ZINC000174325719 822771306 /nfs/dbraw/zinc/77/13/06/822771306.db2.gz ACWCUWCLTXDAFS-QGZVFWFLSA-N 1 0 383.389 4.355 20 0 GIADRO C[C@H]1CCN(C(=O)Nc2ccc(F)c(F)c2F)CC[N@@H+]1Cc1ccccc1 ZINC000174328296 822771681 /nfs/dbraw/zinc/77/16/81/822771681.db2.gz OZHRCHPOUXMUFD-AWEZNQCLSA-N 1 0 377.410 4.232 20 0 GIADRO O=C(N[C@@H](c1ccsc1)c1ccc(Cl)cc1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000174328468 822771808 /nfs/dbraw/zinc/77/18/08/822771808.db2.gz HGXWWQDKNWHCLP-RTBURBONSA-N 1 0 387.936 4.147 20 0 GIADRO CCCC[C@H]([NH2+]Cc1scnc1C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000174329204 822772083 /nfs/dbraw/zinc/77/20/83/822772083.db2.gz OOMHVUZSGMZHEA-IBGZPJMESA-N 1 0 386.565 4.339 20 0 GIADRO COCc1cccc(NC(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)c1 ZINC000185367877 822773034 /nfs/dbraw/zinc/77/30/34/822773034.db2.gz YBMKOVOGWIMANU-SFHVURJKSA-N 1 0 395.425 4.276 20 0 GIADRO CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000051676448 822773284 /nfs/dbraw/zinc/77/32/84/822773284.db2.gz FPTGWUBOCYLLKP-NHCUHLMSSA-N 1 0 387.568 4.060 20 0 GIADRO C[N@H+](CC(=O)N1CCC(OCc2ccccc2)CC1)[C@@H]1CCCc2ccccc21 ZINC000051684628 822773706 /nfs/dbraw/zinc/77/37/06/822773706.db2.gz LGAYFMACYBKGQJ-XMMPIXPASA-N 1 0 392.543 4.204 20 0 GIADRO COCc1ccccc1NC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000185371782 822773799 /nfs/dbraw/zinc/77/37/99/822773799.db2.gz JCTBDRYTLCAKMI-SFHVURJKSA-N 1 0 395.425 4.276 20 0 GIADRO O=C([C@H]([NH2+]CCc1nc(C(F)(F)F)cs1)c1ccccc1)N1CCCCC1 ZINC000174342692 822775277 /nfs/dbraw/zinc/77/52/77/822775277.db2.gz USAOSYCYMCOPKM-QGZVFWFLSA-N 1 0 397.466 4.048 20 0 GIADRO CC(C)[NH+](CCCNC(=O)Nc1cc2c(cc1Cl)OCCCO2)C(C)C ZINC000174352093 822776675 /nfs/dbraw/zinc/77/66/75/822776675.db2.gz RGQWBOFAZRDFBX-UHFFFAOYSA-N 1 0 383.920 4.132 20 0 GIADRO C[C@H](CCNC(=O)N1CCC([NH+]2CCCC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000174361072 822777901 /nfs/dbraw/zinc/77/79/01/822777901.db2.gz SNWCCSUWOCDMNE-MRXNPFEDSA-N 1 0 397.485 4.469 20 0 GIADRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](Cc2ccccc2)C(=O)Nc2ccccc2)c1 ZINC000185410162 822780284 /nfs/dbraw/zinc/78/02/84/822780284.db2.gz UUTNVHWIBWJOSA-JTSKRJEESA-N 1 0 390.483 4.301 20 0 GIADRO Cc1nnc(-c2cccc(NC(=O)[C@@H]3CCC[N@H+](Cc4cccc(F)c4)C3)c2)o1 ZINC000174388624 822782156 /nfs/dbraw/zinc/78/21/56/822782156.db2.gz VPCHENDDVSUHIP-GOSISDBHSA-N 1 0 394.450 4.035 20 0 GIADRO Fc1ccc(OCc2nc(CN3CCC(C[NH+]4CCCC4)CC3)cs2)cc1 ZINC000051907718 822782749 /nfs/dbraw/zinc/78/27/49/822782749.db2.gz DOXJXKNNLDSYSW-UHFFFAOYSA-N 1 0 389.540 4.169 20 0 GIADRO Cn1cccc1[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000174395533 822783585 /nfs/dbraw/zinc/78/35/85/822783585.db2.gz IGTCFVYCBGZZOV-DENIHFKCSA-N 1 0 383.511 4.130 20 0 GIADRO CN(Cc1nc2ccccc2n1C(F)F)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174399869 822784670 /nfs/dbraw/zinc/78/46/70/822784670.db2.gz GRBXAPPMLQKQRY-GOSISDBHSA-N 1 0 384.474 4.385 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc(Br)cc1O)c1ccc(NC(N)=O)cc1 ZINC000185446162 822784946 /nfs/dbraw/zinc/78/49/46/822784946.db2.gz FEAODMZBUAOPME-GHMZBOCLSA-N 1 0 378.270 4.057 20 0 GIADRO COc1ccc(C[NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)cc1F ZINC000174404425 822785621 /nfs/dbraw/zinc/78/56/21/822785621.db2.gz IVOBWWSMPPJZNX-QGZVFWFLSA-N 1 0 379.859 4.335 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)CCc1cc(Cl)ccc1Br ZINC000456169912 822785917 /nfs/dbraw/zinc/78/59/17/822785917.db2.gz MZHVWGXBZIHGKP-UHFFFAOYSA-N 1 0 389.765 4.272 20 0 GIADRO COc1cc2c(cc1NC(=O)N1CC[C@H]([NH+]3CC=CC3)C1)oc1ccccc12 ZINC000174406943 822786086 /nfs/dbraw/zinc/78/60/86/822786086.db2.gz ZNYJWVVCLKGTRL-HNNXBMFYSA-N 1 0 377.444 4.073 20 0 GIADRO C[C@@H](CC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1)C(=O)c1cccc(F)c1 ZINC000174411653 822786600 /nfs/dbraw/zinc/78/66/00/822786600.db2.gz MZTHWKHKIPBBCW-RBUKOAKNSA-N 1 0 388.527 4.005 20 0 GIADRO CC(C)c1noc(CCC[NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)n1 ZINC000174415976 822787222 /nfs/dbraw/zinc/78/72/22/822787222.db2.gz KFLVFICVAXVXMI-KRWDZBQOSA-N 1 0 393.915 4.127 20 0 GIADRO CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2[O-])[C@H](C)C1 ZINC000185461476 822787250 /nfs/dbraw/zinc/78/72/50/822787250.db2.gz NWWNLNDRRSOGIL-KEYYUXOJSA-N 1 0 389.367 4.487 20 0 GIADRO COc1ccccc1-c1ccc(C[NH2+]CCCNC(=O)c2occc2C)cc1 ZINC000174417482 822787333 /nfs/dbraw/zinc/78/73/33/822787333.db2.gz KGAIWOZWQFCZOV-UHFFFAOYSA-N 1 0 378.472 4.173 20 0 GIADRO Cc1cc(C)c(NC(=O)CCC[NH2+][C@@H](C)c2cn(-c3ccccc3)nn2)c(C)c1 ZINC000185472014 822788090 /nfs/dbraw/zinc/78/80/90/822788090.db2.gz YZJSWLYAKDACEG-IBGZPJMESA-N 1 0 391.519 4.262 20 0 GIADRO CC(C)Oc1cccc([C@@H](O)C[NH2+][C@H](C)c2cc(Br)ccc2O)c1 ZINC000185478497 822788780 /nfs/dbraw/zinc/78/87/80/822788780.db2.gz AMUCNPWEAUVKAJ-YJYMSZOUSA-N 1 0 394.309 4.326 20 0 GIADRO CC(C)n1ncc2cc(CN3CC[C@H](C)[N@H+](Cc4ccccc4)CC3)cnc21 ZINC000174432099 822789352 /nfs/dbraw/zinc/78/93/52/822789352.db2.gz KXYZJXIYCYRQPL-IBGZPJMESA-N 1 0 377.536 4.109 20 0 GIADRO Cc1cc(C)c(NC(=O)CCC[NH+]2CCC(O)(c3ccccc3)CC2)c(C)c1 ZINC000185483904 822789426 /nfs/dbraw/zinc/78/94/26/822789426.db2.gz ZNIPWNCDHRLDCC-UHFFFAOYSA-N 1 0 380.532 4.314 20 0 GIADRO CC(C)c1noc(-c2ccnc(N3CC[NH+]([C@H](C)c4ccsc4)CC3)c2)n1 ZINC000185484350 822789534 /nfs/dbraw/zinc/78/95/34/822789534.db2.gz VECBJWKMIDOALG-OAHLLOKOSA-N 1 0 383.521 4.200 20 0 GIADRO CC1CCN(C(=O)C2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)CC1 ZINC000052157751 822791569 /nfs/dbraw/zinc/79/15/69/822791569.db2.gz ZNALFRFMIHCJQY-UHFFFAOYSA-N 1 0 384.442 4.056 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)NCc2cccc(Cl)c2)[C@@H]1c1cccs1 ZINC000174451858 822791609 /nfs/dbraw/zinc/79/16/09/822791609.db2.gz WMPZFLYESBALEZ-CRAIPNDOSA-N 1 0 377.941 4.284 20 0 GIADRO COc1cccc(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)c1OC(F)F ZINC000456268278 822791976 /nfs/dbraw/zinc/79/19/76/822791976.db2.gz JGRBKJPDARPSGE-MRXNPFEDSA-N 1 0 376.403 4.098 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)COc3ccc(Br)cc3)ccc21 ZINC000456267425 822791994 /nfs/dbraw/zinc/79/19/94/822791994.db2.gz RBALRAVMZRLCEA-GOSISDBHSA-N 1 0 389.293 4.016 20 0 GIADRO Cc1nccn1CCCC[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000174453776 822792104 /nfs/dbraw/zinc/79/21/04/822792104.db2.gz YYAYCZXNPITWGG-UHFFFAOYSA-N 1 0 384.911 4.389 20 0 GIADRO CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000456272423 822792318 /nfs/dbraw/zinc/79/23/18/822792318.db2.gz YRXAENVQFKSKQN-WQTXXOFMSA-N 1 0 393.531 4.019 20 0 GIADRO Cc1cc(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)c2c(n1)onc2C(C)C ZINC000456273676 822792463 /nfs/dbraw/zinc/79/24/63/822792463.db2.gz MEWUGIFNMMULDL-GOSISDBHSA-N 1 0 378.476 4.456 20 0 GIADRO CCCCN(C)C(=O)C1CC[NH+](Cc2cc(-c3ccc(Cl)cc3)no2)CC1 ZINC000052187101 822792706 /nfs/dbraw/zinc/79/27/06/822792706.db2.gz SQVJKOAIYCFOAS-UHFFFAOYSA-N 1 0 389.927 4.466 20 0 GIADRO CCN(CC)C(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccccc2C)c1 ZINC000052212380 822793287 /nfs/dbraw/zinc/79/32/87/822793287.db2.gz QIBYHMABJWULAZ-JOCHJYFZSA-N 1 0 393.531 4.253 20 0 GIADRO CC(C)[N@H+](CCC(=O)Nc1ccc(Br)cc1F)Cc1ccccn1 ZINC000052218500 822793432 /nfs/dbraw/zinc/79/34/32/822793432.db2.gz QYKWGBLIQNJZMK-UHFFFAOYSA-N 1 0 394.288 4.222 20 0 GIADRO Cc1ccc(CCC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c(Br)c1 ZINC000185532885 822794157 /nfs/dbraw/zinc/79/41/57/822794157.db2.gz NCSBJZWXVANOFA-QGZVFWFLSA-N 1 0 393.369 4.025 20 0 GIADRO COc1ccc(C(=O)C[C@H](C)C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)cc1 ZINC000456284823 822794241 /nfs/dbraw/zinc/79/42/41/822794241.db2.gz UHZMIJYFZQJOBS-YCRPNKLZSA-N 1 0 380.488 4.092 20 0 GIADRO Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000456289157 822794599 /nfs/dbraw/zinc/79/45/99/822794599.db2.gz XLGGGLXTHWEOPP-JOCHJYFZSA-N 1 0 382.552 4.276 20 0 GIADRO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)[C@H](C)CC(C)C)ccc1Cl ZINC000185538763 822794679 /nfs/dbraw/zinc/79/46/79/822794679.db2.gz NIXUOENDSPJVHQ-OAHLLOKOSA-N 1 0 381.948 4.032 20 0 GIADRO CC(C)Oc1ccc(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c(F)c1 ZINC000052267679 822795352 /nfs/dbraw/zinc/79/53/52/822795352.db2.gz YDCKZQDTKLRDBK-SFHVURJKSA-N 1 0 375.444 4.165 20 0 GIADRO Oc1cc(F)cc(C[NH2+]C2(c3ccc(Br)cc3)CCOCC2)c1 ZINC000185553471 822795932 /nfs/dbraw/zinc/79/59/32/822795932.db2.gz BCKFYYIYIGTLKO-UHFFFAOYSA-N 1 0 380.257 4.089 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](Sc2ccc(F)cc2)c2ccccc2)C1 ZINC000174492359 822796387 /nfs/dbraw/zinc/79/63/87/822796387.db2.gz HWIQTZLMKZACKY-LAUBAEHRSA-N 1 0 386.536 4.459 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)/C(=C/c2ccccc2OC)c2ccccc2)C1 ZINC000174498801 822797267 /nfs/dbraw/zinc/79/72/67/822797267.db2.gz IWKLXTZCIBPZEP-NDWLXSOOSA-N 1 0 378.516 4.036 20 0 GIADRO CC[C@H](C)[C@@H](C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)c1ccccc1 ZINC000174502008 822797605 /nfs/dbraw/zinc/79/76/05/822797605.db2.gz QZLULNPEEKEPKY-YADARESESA-N 1 0 394.559 4.089 20 0 GIADRO Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000456318874 822797954 /nfs/dbraw/zinc/79/79/54/822797954.db2.gz BMDGIAMFHAVURW-AYHJJNSGSA-N 1 0 383.561 4.132 20 0 GIADRO CC[C@H](NC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1)c1ccncc1 ZINC000174512022 822799366 /nfs/dbraw/zinc/79/93/66/822799366.db2.gz PHFYKCVPCXSNMM-RBUKOAKNSA-N 1 0 386.565 4.367 20 0 GIADRO CCCOc1c(Cl)cc(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1OC ZINC000174520569 822800166 /nfs/dbraw/zinc/80/01/66/822800166.db2.gz XQZGGXQBVIFWTO-INIZCTEOSA-N 1 0 394.943 4.085 20 0 GIADRO C[C@H]([NH2+]Cc1nc(-c2cccc(C(F)(F)F)c2)no1)[C@@H]1COc2ccccc21 ZINC000185597958 822800600 /nfs/dbraw/zinc/80/06/00/822800600.db2.gz GWHSOYDFKBCUPM-LRDDRELGSA-N 1 0 389.377 4.410 20 0 GIADRO C[C@@H]([NH2+]Cc1nc(-c2cccc(C(F)(F)F)c2)no1)[C@H]1COc2ccccc21 ZINC000185598017 822800709 /nfs/dbraw/zinc/80/07/09/822800709.db2.gz GWHSOYDFKBCUPM-MLGOLLRUSA-N 1 0 389.377 4.410 20 0 GIADRO COc1ccc(N2CCC[N@@H+]([C@H](C)c3nnc(-c4cccc(C)c4)o3)CC2)cc1 ZINC000052466556 822800829 /nfs/dbraw/zinc/80/08/29/822800829.db2.gz XTXFJPUUXWERJB-GOSISDBHSA-N 1 0 392.503 4.327 20 0 GIADRO CC(C)(C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)c1cccc(C(F)(F)F)c1 ZINC000174536114 822802470 /nfs/dbraw/zinc/80/24/70/822802470.db2.gz IBZCYCLIYIRHKB-INIZCTEOSA-N 1 0 382.470 4.317 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)CCC(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000174537105 822802632 /nfs/dbraw/zinc/80/26/32/822802632.db2.gz ZMFVUMUCGKYCAJ-IBGZPJMESA-N 1 0 378.516 4.117 20 0 GIADRO CCN(Cc1ccccc1)c1ccc(C(=O)N2CC[C@@H](C[N@H+](C)CC)C2)cc1 ZINC000174542616 822803123 /nfs/dbraw/zinc/80/31/23/822803123.db2.gz FFCSQGWVOOXLFI-NRFANRHFSA-N 1 0 379.548 4.127 20 0 GIADRO CCOc1cc(C[NH2+][C@@H](C)Cc2c(C)nn(C)c2C)ccc1OCC(F)(F)F ZINC000174543581 822803260 /nfs/dbraw/zinc/80/32/60/822803260.db2.gz CUDGQWTVFTXRCJ-ZDUSSCGKSA-N 1 0 399.457 4.098 20 0 GIADRO CC(C)n1cnnc1[C@@H]1CCC[N@H+](CCOc2ccc(Cl)cc2Cl)C1 ZINC000174546949 822803498 /nfs/dbraw/zinc/80/34/98/822803498.db2.gz NMDJUFURBTZKLK-CQSZACIVSA-N 1 0 383.323 4.424 20 0 GIADRO CCCOc1ccc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1OCCC ZINC000174548208 822803713 /nfs/dbraw/zinc/80/37/13/822803713.db2.gz ZBZIGTJAWUTSNZ-AEFFLSMTSA-N 1 0 377.529 4.211 20 0 GIADRO COc1ccc(C[NH2+]C(C)(C)c2nc3ccccc3n2C)cc1Br ZINC000185636129 822805001 /nfs/dbraw/zinc/80/50/01/822805001.db2.gz YBUGYPIXTNEWNR-UHFFFAOYSA-N 1 0 388.309 4.369 20 0 GIADRO Cc1ccc(CN(C(=O)C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)C2CC2)o1 ZINC000052612136 822805131 /nfs/dbraw/zinc/80/51/31/822805131.db2.gz PAFQBONFKMGJJR-KRWDZBQOSA-N 1 0 393.487 4.100 20 0 GIADRO Cn1c2ccccc2nc1C(C)(C)[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000185638235 822805357 /nfs/dbraw/zinc/80/53/57/822805357.db2.gz NNOFVYOFDXGPLR-INIZCTEOSA-N 1 0 386.540 4.045 20 0 GIADRO Cn1c2ccccc2nc1C(C)(C)[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000185638220 822805392 /nfs/dbraw/zinc/80/53/92/822805392.db2.gz NNOFVYOFDXGPLR-MRXNPFEDSA-N 1 0 386.540 4.045 20 0 GIADRO COCc1c(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)sc2cccc(F)c21 ZINC000174564435 822805546 /nfs/dbraw/zinc/80/55/46/822805546.db2.gz UQDOJYMOPBCPBH-HNNXBMFYSA-N 1 0 390.524 4.135 20 0 GIADRO O=C(CCCCc1nc2ccccc2s1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174564648 822805573 /nfs/dbraw/zinc/80/55/73/822805573.db2.gz MXRRAFNLHDDNLI-GOSISDBHSA-N 1 0 385.577 4.344 20 0 GIADRO C[N@@H+]1CCN(C(=O)CCCc2ncc(-c3ccccc3)o2)C2(CCCCC2)C1 ZINC000174569430 822806263 /nfs/dbraw/zinc/80/62/63/822806263.db2.gz KWHCPJYHVZLGAD-UHFFFAOYSA-N 1 0 381.520 4.141 20 0 GIADRO C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cc(Br)cc(F)c1[O-] ZINC000185649128 822806562 /nfs/dbraw/zinc/80/65/62/822806562.db2.gz QGEVYRRHADHDEG-LBPRGKRZSA-N 1 0 385.321 4.351 20 0 GIADRO CCN(C(=O)[C@@H](C)[NH2+][C@H](C)c1c(C)nn(CC(F)(F)F)c1C)c1ccccc1 ZINC000185653157 822807018 /nfs/dbraw/zinc/80/70/18/822807018.db2.gz VMHCEBKLQXBWTD-UKRRQHHQSA-N 1 0 396.457 4.154 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@H](C)C(=O)Nc1ccc(C)cc1C ZINC000185654417 822807173 /nfs/dbraw/zinc/80/71/73/822807173.db2.gz NHTIUAOYPSQYAL-DZGCQCFKSA-N 1 0 396.457 4.357 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cc(C)c(Cl)cc2OC)cc1F ZINC000052710586 822807966 /nfs/dbraw/zinc/80/79/66/822807966.db2.gz NUPGGPAKBZXKNU-STQMWFEESA-N 1 0 394.874 4.483 20 0 GIADRO CC(C)NC(=O)Nc1ccc(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000052748858 822809301 /nfs/dbraw/zinc/80/93/01/822809301.db2.gz AKEMWNLRKOFHHW-UHFFFAOYSA-N 1 0 394.519 4.455 20 0 GIADRO O=C(N[C@@H]1CCO[C@@H](c2cccs2)C1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000456497787 822810515 /nfs/dbraw/zinc/81/05/15/822810515.db2.gz FHQGJEBQVASIDB-WOJBJXKFSA-N 1 0 384.545 4.384 20 0 GIADRO Cc1nnc(SCC[N@@H+](C)Cc2ccc(F)cc2)n1CCc1cccs1 ZINC000185691408 822810526 /nfs/dbraw/zinc/81/05/26/822810526.db2.gz YNNIBUGSEJMDQP-UHFFFAOYSA-N 1 0 390.553 4.254 20 0 GIADRO C[C@H](CC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)C(=O)c1cccc(F)c1 ZINC000174600921 822810660 /nfs/dbraw/zinc/81/06/60/822810660.db2.gz HOOIYKXOWBGVDZ-MOPGFXCFSA-N 1 0 388.527 4.149 20 0 GIADRO OC1(c2cccnc2)CCC([NH2+]Cc2csc(COc3ccccc3)n2)CC1 ZINC000185701473 822811740 /nfs/dbraw/zinc/81/17/40/822811740.db2.gz AUEFXCSVSMEGGU-UHFFFAOYSA-N 1 0 395.528 4.037 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)N3CCC4(C3)CCCCC4)c(C)c2)CC1 ZINC000174607573 822811872 /nfs/dbraw/zinc/81/18/72/822811872.db2.gz ZYOADEVXWLGBCA-UHFFFAOYSA-N 1 0 384.568 4.325 20 0 GIADRO Cc1cc(Br)ccc1C[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000185704603 822812132 /nfs/dbraw/zinc/81/21/32/822812132.db2.gz WGDZPUABESCHRH-UHFFFAOYSA-N 1 0 375.310 4.073 20 0 GIADRO COc1ccc(-c2noc([C@H](C)N[C@@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)n2)cc1 ZINC000185712069 822813109 /nfs/dbraw/zinc/81/31/09/822813109.db2.gz INCGIPKKGXATEE-XYJFISCASA-N 1 0 384.524 4.049 20 0 GIADRO CCc1cnc(CC[NH2+]Cc2cccc(NC(=O)c3ccc(OC)cc3)c2)s1 ZINC000174624430 822814069 /nfs/dbraw/zinc/81/40/69/822814069.db2.gz WDZPRAFXATXDAQ-UHFFFAOYSA-N 1 0 395.528 4.299 20 0 GIADRO Cc1nc(CSc2ccccc2C(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)cs1 ZINC000174625298 822814192 /nfs/dbraw/zinc/81/41/92/822814192.db2.gz IGMPZEURYTYVCG-DLBZAZTESA-N 1 0 387.574 4.053 20 0 GIADRO CC[C@@H](C)[NH+]1CCN(C(=O)c2ccccc2SCc2c(C)noc2C)CC1 ZINC000456543456 822814595 /nfs/dbraw/zinc/81/45/95/822814595.db2.gz FQAMETKXXLRHMX-OAHLLOKOSA-N 1 0 387.549 4.140 20 0 GIADRO CCOc1ccc(NC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1OC ZINC000174632681 822815023 /nfs/dbraw/zinc/81/50/23/822815023.db2.gz WLPXVLGIGSFQQH-ROUUACIJSA-N 1 0 389.540 4.212 20 0 GIADRO Cc1ccc(NC(=O)[C@H](C)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(Cl)c1 ZINC000185729365 822815427 /nfs/dbraw/zinc/81/54/27/822815427.db2.gz WQUJTIJUZDUTFL-IXDOHACOSA-N 1 0 377.960 4.218 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)Nc2ncc(Cc3ccccc3Cl)s2)CC[N@@H+]1C ZINC000174642730 822816368 /nfs/dbraw/zinc/81/63/68/822816368.db2.gz VBWCOJALPZULKF-UKRRQHHQSA-N 1 0 392.956 4.334 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)Nc2ncc(Cc3ccccc3Cl)s2)CC[N@@H+]1C ZINC000174642764 822816391 /nfs/dbraw/zinc/81/63/91/822816391.db2.gz VBWCOJALPZULKF-ZFWWWQNUSA-N 1 0 392.956 4.334 20 0 GIADRO C[C@H]([NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cccc(-n2ccnc2)c1 ZINC000174651428 822817929 /nfs/dbraw/zinc/81/79/29/822817929.db2.gz JSWJIBAUELLSCM-ZWKOTPCHSA-N 1 0 384.524 4.170 20 0 GIADRO CCc1ccc([C@H](C)NC(=O)[C@H](C)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000185759931 822818451 /nfs/dbraw/zinc/81/84/51/822818451.db2.gz MZDCFBNCIANGSS-ZVVDCOBXSA-N 1 0 385.596 4.057 20 0 GIADRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)N2CC3(CCC3)[C@H]2c2ccco2)[C@H](C(F)(F)F)C1 ZINC000456593240 822818703 /nfs/dbraw/zinc/81/87/03/822818703.db2.gz RUCVNAXWVVGVKD-IIAWOOMASA-N 1 0 384.442 4.242 20 0 GIADRO Cc1cc(Br)oc1C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000053016732 822818794 /nfs/dbraw/zinc/81/87/94/822818794.db2.gz XSEDIKAZSINYBU-UHFFFAOYSA-N 1 0 379.298 4.121 20 0 GIADRO C[N@H+](Cc1ccc(OC(F)(F)F)cc1)C1CCN(CCc2ccccn2)CC1 ZINC000174657896 822819368 /nfs/dbraw/zinc/81/93/68/822819368.db2.gz QLJHUSNKPXUWST-UHFFFAOYSA-N 1 0 393.453 4.119 20 0 GIADRO Cc1c(C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)cnn1-c1ccc(F)cc1 ZINC000053030132 822819384 /nfs/dbraw/zinc/81/93/84/822819384.db2.gz AMRXQDGMHXCBAU-UHFFFAOYSA-N 1 0 398.526 4.048 20 0 GIADRO C[N@H+](CCCc1nc(-c2cccs2)no1)Cc1ccc(OC(F)F)cc1 ZINC000053095095 822821446 /nfs/dbraw/zinc/82/14/46/822821446.db2.gz ZFQTYLYYZULNGC-UHFFFAOYSA-N 1 0 379.432 4.464 20 0 GIADRO Cc1cc(Br)cc2cc(C(=O)NC3CC[NH+](C4CCC4)CC3)oc21 ZINC000456685710 822822604 /nfs/dbraw/zinc/82/26/04/822822604.db2.gz RLTZQUHMTFFZRS-UHFFFAOYSA-N 1 0 391.309 4.250 20 0 GIADRO Cc1c(C(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)oc2c1C(=O)CCC2 ZINC000053144203 822823350 /nfs/dbraw/zinc/82/33/50/822823350.db2.gz PGZPFXKSSBZOLC-MRXNPFEDSA-N 1 0 394.515 4.269 20 0 GIADRO C[NH+](C)CCN(C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)C1CCCC1 ZINC000053152790 822823868 /nfs/dbraw/zinc/82/38/68/822823868.db2.gz UKKYTISRIPCRKJ-UHFFFAOYSA-N 1 0 389.927 4.260 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)N[C@H](c1nc(C)cs1)C1CC1)c1ccccc1 ZINC000174691304 822823976 /nfs/dbraw/zinc/82/39/76/822823976.db2.gz OKSWTOTXWNLQQG-OALUTQOASA-N 1 0 386.565 4.285 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1cccc2ccccc21 ZINC000185819464 822824107 /nfs/dbraw/zinc/82/41/07/822824107.db2.gz SLLVPVJQDSSOJL-KRWDZBQOSA-N 1 0 380.513 4.231 20 0 GIADRO Cc1nn(C(C)(C)C)c(C)c1C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000053264775 822828189 /nfs/dbraw/zinc/82/81/89/822828189.db2.gz XZSJUOMRGVKNTC-UHFFFAOYSA-N 1 0 396.579 4.417 20 0 GIADRO C[C@H](c1ccncc1)[N@H+](C)Cc1cc(Br)cc(Br)c1N ZINC000185898094 822831082 /nfs/dbraw/zinc/83/10/82/822831082.db2.gz PEADCLIMBZYPNM-SNVBAGLBSA-N 1 0 399.130 4.382 20 0 GIADRO CC[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1)c1nc(C(F)(F)F)cs1 ZINC000174744214 822831300 /nfs/dbraw/zinc/83/13/00/822831300.db2.gz DPCRUOBRSGTFLI-QWHCGFSZSA-N 1 0 392.491 4.033 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)C2Cc3ccccc3C2)CC1 ZINC000456797948 822832046 /nfs/dbraw/zinc/83/20/46/822832046.db2.gz XWBZQCKZUDKSGE-UHFFFAOYSA-N 1 0 384.907 4.167 20 0 GIADRO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3OC)cc2)C1 ZINC000174750150 822832182 /nfs/dbraw/zinc/83/21/82/822832182.db2.gz RNMQNFYMXACLBJ-GOSISDBHSA-N 1 0 383.492 4.436 20 0 GIADRO C[NH+](C)Cc1ccsc1C(=O)N1CCC(Cc2cccc(F)c2F)CC1 ZINC000456807751 822833226 /nfs/dbraw/zinc/83/32/26/822833226.db2.gz HKBADUPWLHZSGX-UHFFFAOYSA-N 1 0 378.488 4.183 20 0 GIADRO CC[C@@H](NC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1)c1nc(C)cs1 ZINC000174762684 822833910 /nfs/dbraw/zinc/83/39/10/822833910.db2.gz JFCUZJKOXKAERV-IEBWSBKVSA-N 1 0 386.565 4.209 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)Cc2ncc(-c3cccc(Br)c3)o2)[C@H](C)C1 ZINC000174772046 822835113 /nfs/dbraw/zinc/83/51/13/822835113.db2.gz BYRAJAPDOUCUGA-PBHICJAKSA-N 1 0 392.341 4.266 20 0 GIADRO Cc1cc(NC(=O)c2ccc(C(F)(F)F)cc2)ccc1N1CC[NH+](C)CC1 ZINC000053473943 822836693 /nfs/dbraw/zinc/83/66/93/822836693.db2.gz KHFUWPYGTXXTAS-UHFFFAOYSA-N 1 0 377.410 4.018 20 0 GIADRO CC(C)COc1ccc(C(C)(C)CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000174786593 822836803 /nfs/dbraw/zinc/83/68/03/822836803.db2.gz FSOZMNJGOPLFOO-AZUAARDMSA-N 1 0 389.584 4.123 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)N(C)CCc1cccs1 ZINC000174787321 822836946 /nfs/dbraw/zinc/83/69/46/822836946.db2.gz ITYNZXPQNVHMRX-UHFFFAOYSA-N 1 0 375.538 4.175 20 0 GIADRO C[C@H](OCc1ccccc1)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000185957547 822837300 /nfs/dbraw/zinc/83/73/00/822837300.db2.gz CQBOEDVRPSNDAS-SXWKCWPCSA-N 1 0 380.532 4.103 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccccc2Sc2ccccc2)CC[N@@H+]1C ZINC000174793746 822837747 /nfs/dbraw/zinc/83/77/47/822837747.db2.gz UQYZWIXYANBYNS-MJGOQNOKSA-N 1 0 383.561 4.462 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)N(C)Cc1sccc1C)[NH+]1CCCC1 ZINC000053536752 822839547 /nfs/dbraw/zinc/83/95/47/822839547.db2.gz CXYRNELSUMUBFM-SFHVURJKSA-N 1 0 387.549 4.044 20 0 GIADRO COc1ccc([C@H](C)NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1F ZINC000053547716 822840276 /nfs/dbraw/zinc/84/02/76/822840276.db2.gz SLQYHADTKGQJLR-JXFKEZNVSA-N 1 0 385.483 4.032 20 0 GIADRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)Nc1cccc(-c2cc[nH]n2)c1 ZINC000185978769 822840297 /nfs/dbraw/zinc/84/02/97/822840297.db2.gz PXEYUFOMKDEANG-OAQYLSRUSA-N 1 0 375.476 4.035 20 0 GIADRO CN(Cc1ccc(Cl)s1)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000053548288 822840510 /nfs/dbraw/zinc/84/05/10/822840510.db2.gz PRKUCJPNDWVGJY-CQSZACIVSA-N 1 0 383.970 4.442 20 0 GIADRO CN(Cc1cccs1)C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000053553488 822840811 /nfs/dbraw/zinc/84/08/11/822840811.db2.gz JCGMFHCKIBKASX-SFHVURJKSA-N 1 0 377.941 4.380 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)Nc1cccc(-c2cc[nH]n2)c1 ZINC000185993424 822841826 /nfs/dbraw/zinc/84/18/26/822841826.db2.gz SBQMBXZZJLZPPR-GOSISDBHSA-N 1 0 389.503 4.205 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)N(Cc1ccco1)Cc1cccs1)c1cccs1 ZINC000053602772 822842171 /nfs/dbraw/zinc/84/21/71/822842171.db2.gz BTKOBFHRVRJGKE-KRWDZBQOSA-N 1 0 389.546 4.417 20 0 GIADRO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)Nc1cccc(N3CCC(C)CC3)c1)CC2 ZINC000174824863 822842399 /nfs/dbraw/zinc/84/23/99/822842399.db2.gz WDFZSWGFCKRNRC-IRLDBZIGSA-N 1 0 384.568 4.402 20 0 GIADRO C[N@H+](CCCCc1ccccc1)Cc1csc(-c2ccc(C(N)=O)cc2)n1 ZINC000053610506 822842731 /nfs/dbraw/zinc/84/27/31/822842731.db2.gz GFFMDPGWUIWDKX-UHFFFAOYSA-N 1 0 379.529 4.364 20 0 GIADRO Cc1cc2cc([C@H](C)[NH2+]Cc3ccc(N4CCCS4(=O)=O)cc3)oc2cc1C ZINC000186032819 822845566 /nfs/dbraw/zinc/84/55/66/822845566.db2.gz BBGPTANIYRYKDK-KRWDZBQOSA-N 1 0 398.528 4.440 20 0 GIADRO O=S1(=O)CCCN1c1ccc(C[NH2+]C(c2ccccc2)c2ccccc2)cc1 ZINC000186034194 822845759 /nfs/dbraw/zinc/84/57/59/822845759.db2.gz ZFSVMIUSEDAOQW-UHFFFAOYSA-N 1 0 392.524 4.106 20 0 GIADRO CCCCOc1ccc(OC)cc1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000174850700 822846429 /nfs/dbraw/zinc/84/64/29/822846429.db2.gz YLHFUZQOQHIPKS-ALOPSCKCSA-N 1 0 375.513 4.011 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1cccc(C(F)(F)F)c1 ZINC000186039870 822846491 /nfs/dbraw/zinc/84/64/91/822846491.db2.gz VVHGYUOYERSQDL-CQSZACIVSA-N 1 0 398.450 4.096 20 0 GIADRO C[C@H](C(=O)Nc1cccnc1Cl)[N@H+](C)CCCOc1cccc(Cl)c1 ZINC000053741770 822846723 /nfs/dbraw/zinc/84/67/23/822846723.db2.gz UHEFZHAVUDOSMW-CYBMUJFWSA-N 1 0 382.291 4.116 20 0 GIADRO CC[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)c1nc(C(F)(F)F)cs1 ZINC000174855916 822847020 /nfs/dbraw/zinc/84/70/20/822847020.db2.gz YAOVCMDYECXZTI-OCCSQVGLSA-N 1 0 377.476 4.240 20 0 GIADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000053759012 822847194 /nfs/dbraw/zinc/84/71/94/822847194.db2.gz HKIDARJBKCCKQX-MRXNPFEDSA-N 1 0 393.409 4.107 20 0 GIADRO Cc1nc(CSc2ccccc2C(=O)NCC[N@@H+]2CCCC2(C)C)cs1 ZINC000457052541 822848481 /nfs/dbraw/zinc/84/84/81/822848481.db2.gz APEYEZSQWJGITQ-UHFFFAOYSA-N 1 0 389.590 4.348 20 0 GIADRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)Nc1ccc(COCc3ccccc3)cc1)C2 ZINC000174867225 822848730 /nfs/dbraw/zinc/84/87/30/822848730.db2.gz NTGACEXQDPUMBQ-FCHUYYIVSA-N 1 0 379.504 4.104 20 0 GIADRO CN(C(=O)C1CCC(C(F)(F)F)CC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457061147 822848806 /nfs/dbraw/zinc/84/88/06/822848806.db2.gz AZFQMKUXTUHUAP-UHFFFAOYSA-N 1 0 388.396 4.230 20 0 GIADRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)c3scnc3Cl)cc2)C1 ZINC000053813280 822849125 /nfs/dbraw/zinc/84/91/25/822849125.db2.gz CGBISBZTDBMYRJ-KBPBESRZSA-N 1 0 377.941 4.204 20 0 GIADRO CCc1ccc(C(C)(C)C(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000457064116 822849278 /nfs/dbraw/zinc/84/92/78/822849278.db2.gz CCXRKTKNYLPLGL-UHFFFAOYSA-N 1 0 384.486 4.402 20 0 GIADRO CN(C(=O)c1nc(-c2ccccc2)cs1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457066042 822849509 /nfs/dbraw/zinc/84/95/09/822849509.db2.gz ITGFLAMTNQPVTK-UHFFFAOYSA-N 1 0 397.466 4.299 20 0 GIADRO CC(C)c1ccc(-c2ncc(C[N@@H+]3CC[C@H](CN4CCOCC4)C3)s2)cc1 ZINC000174875738 822849587 /nfs/dbraw/zinc/84/95/87/822849587.db2.gz AZIUWSCKVXUKJG-GOSISDBHSA-N 1 0 385.577 4.088 20 0 GIADRO CSc1cccc(F)c1C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457070809 822849890 /nfs/dbraw/zinc/84/98/90/822849890.db2.gz PCUZYJUBDOCZRY-UHFFFAOYSA-N 1 0 378.435 4.036 20 0 GIADRO CN(C(=O)C1(Cc2ccccc2F)CC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457071587 822849936 /nfs/dbraw/zinc/84/99/36/822849936.db2.gz QQGUMZIBVTVZBP-UHFFFAOYSA-N 1 0 386.433 4.024 20 0 GIADRO O=C(N[C@H]1CCc2ccc(-c3ccccc3)cc21)NC1CC[NH+](C2CC2)CC1 ZINC000186093242 822850750 /nfs/dbraw/zinc/85/07/50/822850750.db2.gz SBEMHZJMOWLCCB-QHCPKHFHSA-N 1 0 375.516 4.267 20 0 GIADRO CC[C@H](Oc1cccc(C)c1)C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457082660 822851167 /nfs/dbraw/zinc/85/11/67/822851167.db2.gz IPKOGYGXZHLOAN-SFHVURJKSA-N 1 0 386.458 4.028 20 0 GIADRO CN(C(=O)[C@@H]1CCCC[C@H]1C(F)(F)F)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457082771 822851188 /nfs/dbraw/zinc/85/11/88/822851188.db2.gz JDXGGOPCKFJKMR-ZIAGYGMSSA-N 1 0 388.396 4.230 20 0 GIADRO CN(C(=O)c1cc(-c2ccccc2)ns1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457084489 822851485 /nfs/dbraw/zinc/85/14/85/822851485.db2.gz LFMWQYPMUCCCGB-UHFFFAOYSA-N 1 0 397.466 4.299 20 0 GIADRO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000457086929 822851755 /nfs/dbraw/zinc/85/17/55/822851755.db2.gz JHVWPMAZKVYKJG-INIZCTEOSA-N 1 0 395.425 4.224 20 0 GIADRO CN(C(=O)CCc1ccc(Cl)cc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457087079 822851819 /nfs/dbraw/zinc/85/18/19/822851819.db2.gz PSWXNDPFURFTRQ-UHFFFAOYSA-N 1 0 376.850 4.148 20 0 GIADRO CN(C(=O)c1cc(Cl)ccc1Cl)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457088249 822851933 /nfs/dbraw/zinc/85/19/33/822851933.db2.gz QWFJSPZWEPTKKA-UHFFFAOYSA-N 1 0 383.241 4.482 20 0 GIADRO CN(C(=O)c1sccc1-n1cccc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457092964 822852747 /nfs/dbraw/zinc/85/27/47/822852747.db2.gz XSRCEBTZDDXZEB-UHFFFAOYSA-N 1 0 385.455 4.028 20 0 GIADRO CN(C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457093992 822852797 /nfs/dbraw/zinc/85/27/97/822852797.db2.gz ZBIALVRAGBQNCD-IRXDYDNUSA-N 1 0 388.861 4.319 20 0 GIADRO C[C@H](CC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1)C(=O)c1cccc(F)c1 ZINC000174907873 822854024 /nfs/dbraw/zinc/85/40/24/822854024.db2.gz BPWVBQGLKAJTRO-QZTJIDSGSA-N 1 0 396.506 4.376 20 0 GIADRO CCOc1ccc(C(=O)N2CCC([NH2+][C@@H](C)c3sccc3OC)CC2)cc1 ZINC000186129693 822854187 /nfs/dbraw/zinc/85/41/87/822854187.db2.gz CDWXOTVPYMVEOD-HNNXBMFYSA-N 1 0 388.533 4.111 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)CCn2ccc3ccccc32)CC1 ZINC000053968170 822854842 /nfs/dbraw/zinc/85/48/42/822854842.db2.gz AXHVSRMSXDNPKN-UHFFFAOYSA-N 1 0 375.516 4.121 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2nc(Cl)ccc2Cl)CC1 ZINC000053968210 822855065 /nfs/dbraw/zinc/85/50/65/822855065.db2.gz JFUMEHBNKCJFFQ-UHFFFAOYSA-N 1 0 378.303 4.091 20 0 GIADRO CCC(C)(C)CC(=O)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000457118468 822855144 /nfs/dbraw/zinc/85/51/44/822855144.db2.gz QOBGCBAQUDOKKF-UHFFFAOYSA-N 1 0 391.987 4.279 20 0 GIADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)Cc2csc(-c3ccc(Cl)s3)n2)C1 ZINC000457120200 822855151 /nfs/dbraw/zinc/85/51/51/822855151.db2.gz NWYJBBDMKXXYSS-CYBMUJFWSA-N 1 0 383.970 4.009 20 0 GIADRO Cc1sc(-c2ccco2)nc1C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174918944 822856103 /nfs/dbraw/zinc/85/61/03/822856103.db2.gz MTXLREOKRBCMSN-SFHVURJKSA-N 1 0 395.528 4.306 20 0 GIADRO COCCCOc1cccc(C[NH2+][C@@H](C)c2ccc(Br)cc2O)c1 ZINC000186154586 822856531 /nfs/dbraw/zinc/85/65/31/822856531.db2.gz HUVORRLLGLGTDQ-AWEZNQCLSA-N 1 0 394.309 4.421 20 0 GIADRO Cc1noc(C)c1[C@H](C)C[NH2+][C@H]1CCCC[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000186157255 822856606 /nfs/dbraw/zinc/85/66/06/822856606.db2.gz WEYVBJREKZBXSF-UIAACRFSSA-N 1 0 390.549 4.078 20 0 GIADRO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+]C2CCC(OC(C)C)CC2)cc1 ZINC000186159914 822856885 /nfs/dbraw/zinc/85/68/85/822856885.db2.gz ARPCHGOZRGETAP-SLMMIHQXSA-N 1 0 393.593 4.406 20 0 GIADRO Cc1nc([C@H]2CCCN2C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cs1 ZINC000186163510 822857209 /nfs/dbraw/zinc/85/72/09/822857209.db2.gz YBPOJSVRLQQQFH-HXUWFJFHSA-N 1 0 384.549 4.094 20 0 GIADRO CCCCn1cc(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)c(C)n1 ZINC000186164932 822857351 /nfs/dbraw/zinc/85/73/51/822857351.db2.gz XOMJKTDYFMRWPS-UHFFFAOYSA-N 1 0 384.524 4.109 20 0 GIADRO Cc1nc2cc(C(=O)NCCCC[N@@H+](C)C3CC3)ccc2n1Cc1ccsc1 ZINC000457163792 822858301 /nfs/dbraw/zinc/85/83/01/822858301.db2.gz IBORIXDTZLQJKY-UHFFFAOYSA-N 1 0 396.560 4.059 20 0 GIADRO C[N@H+](CCCCNC(=O)[C@@H]1CCCO[C@@H]1c1ccc(Cl)cc1Cl)C1CC1 ZINC000457171685 822858688 /nfs/dbraw/zinc/85/86/88/822858688.db2.gz SLWPQGHKSLACPW-IEBWSBKVSA-N 1 0 399.362 4.452 20 0 GIADRO CS(=O)(=O)CC1(C[NH2+]Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)CC1 ZINC000174941026 822858739 /nfs/dbraw/zinc/85/87/39/822858739.db2.gz WPXFZDWURATFGD-UHFFFAOYSA-N 1 0 388.316 4.168 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1)c1cc(Br)ccc1O ZINC000186183374 822858776 /nfs/dbraw/zinc/85/87/76/822858776.db2.gz GZAYXKMICUKMBH-QWHCGFSZSA-N 1 0 387.281 4.147 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(F)c(F)cc1Cl ZINC000174943720 822859116 /nfs/dbraw/zinc/85/91/16/822859116.db2.gz WOLGJYDBXAAJKF-OAHLLOKOSA-N 1 0 378.850 4.212 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(-c2ccccc2)n1C ZINC000174943203 822859169 /nfs/dbraw/zinc/85/91/69/822859169.db2.gz KQXAKZYCNFLMAV-OAQYLSRUSA-N 1 0 387.527 4.286 20 0 GIADRO CCSc1cccc(C[NH+]2CCC(C(=O)NCCc3cccs3)CC2)c1 ZINC000186199795 822860130 /nfs/dbraw/zinc/86/01/30/822860130.db2.gz HNAICIPQKGMPLX-UHFFFAOYSA-N 1 0 388.602 4.431 20 0 GIADRO Cc1cc(C(=O)N2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)n(C)n1 ZINC000457198111 822860288 /nfs/dbraw/zinc/86/02/88/822860288.db2.gz XTZTVHBDQBAPSB-QFIPXVFZSA-N 1 0 394.563 4.026 20 0 GIADRO O=C(Cc1ccncc1)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457198386 822860443 /nfs/dbraw/zinc/86/04/43/822860443.db2.gz ZNFDYGWVNBEJJM-XMMPIXPASA-N 1 0 391.559 4.308 20 0 GIADRO Cc1ccc2nc(C)c(C(=O)N(C)C[C@H]3CC[N@H+](Cc4ccccc4)C3)cc2c1 ZINC000174959020 822861477 /nfs/dbraw/zinc/86/14/77/822861477.db2.gz GWRIAVODVBVGFW-OAQYLSRUSA-N 1 0 387.527 4.446 20 0 GIADRO Cc1ccc(NC(=O)CCc2ccc(Cl)cc2)cc1NC(=O)CC[NH+](C)C ZINC000186215397 822861574 /nfs/dbraw/zinc/86/15/74/822861574.db2.gz XPZOYNDCJAIOGF-UHFFFAOYSA-N 1 0 387.911 4.110 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1sccc1Br ZINC000174960518 822861636 /nfs/dbraw/zinc/86/16/36/822861636.db2.gz IFUVSMSTQXPSGH-HNNXBMFYSA-N 1 0 393.350 4.105 20 0 GIADRO Cc1[nH]c2ccc(C(=O)N(C)C[C@H]3CC[N@H+](Cc4ccccc4)C3)cc2c1C ZINC000174965448 822862254 /nfs/dbraw/zinc/86/22/54/822862254.db2.gz BATRYMJZJYNMBQ-HXUWFJFHSA-N 1 0 375.516 4.379 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(C2CC2)n(C(C)(C)C)n1 ZINC000174969702 822862627 /nfs/dbraw/zinc/86/26/27/822862627.db2.gz PCJJJRWPSVWBES-IBGZPJMESA-N 1 0 394.563 4.110 20 0 GIADRO CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1 ZINC000174980755 822863722 /nfs/dbraw/zinc/86/37/22/822863722.db2.gz UVDCNHFKRLXQFC-SJORKVTESA-N 1 0 391.943 4.022 20 0 GIADRO Cc1ccc(NC(=O)CC[C@H](C)c2ccccc2)cc1NC(=O)CC[NH+](C)C ZINC000186242081 822864064 /nfs/dbraw/zinc/86/40/64/822864064.db2.gz VBOQGHYNHNWPOF-KRWDZBQOSA-N 1 0 381.520 4.408 20 0 GIADRO Cc1c(COc2ccccc2)cccc1NC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000175000381 822865823 /nfs/dbraw/zinc/86/58/23/822865823.db2.gz RJLVIBMOSCEUMP-UHFFFAOYSA-N 1 0 379.504 4.134 20 0 GIADRO CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]Cc2cccc3c2OCCO3)cc1 ZINC000054175510 822865870 /nfs/dbraw/zinc/86/58/70/822865870.db2.gz IOYNRPLOFJPXGG-INIZCTEOSA-N 1 0 383.492 4.182 20 0 GIADRO COc1ccccc1[C@@H](C)CC(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1 ZINC000186260288 822866291 /nfs/dbraw/zinc/86/62/91/822866291.db2.gz DFAAUJBZBVQUPK-KRWDZBQOSA-N 1 0 397.519 4.026 20 0 GIADRO Cc1ccc(NC(=O)[C@@H](c2ccccc2)C(C)C)cc1NC(=O)CC[NH+](C)C ZINC000186262005 822866396 /nfs/dbraw/zinc/86/63/96/822866396.db2.gz QPTOFJACYDYBDN-JOCHJYFZSA-N 1 0 381.520 4.264 20 0 GIADRO CC(=O)N(c1nc(CN[C@H]2CCC[C@@H]([NH+](C)C)C2)cs1)c1ccc(C)cc1 ZINC000175010300 822866700 /nfs/dbraw/zinc/86/67/00/822866700.db2.gz KXPCUGHSKMSYPO-FXAWDEMLSA-N 1 0 386.565 4.099 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2OC(F)F)cc1 ZINC000054194049 822866979 /nfs/dbraw/zinc/86/69/79/822866979.db2.gz RWFHNQIPXINQOO-KGLIPLIRSA-N 1 0 378.419 4.365 20 0 GIADRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+][C@H]3CCCN(C(C)C)C3=O)s2)cc1 ZINC000175011764 822867131 /nfs/dbraw/zinc/86/71/31/822867131.db2.gz ZXHGTRVQYLDZLE-KSSFIOAISA-N 1 0 387.549 4.177 20 0 GIADRO CC[C@H](NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c1nc(C(F)(F)F)cs1 ZINC000175015049 822867738 /nfs/dbraw/zinc/86/77/38/822867738.db2.gz RTJBYMDEDRHYDJ-NWDGAFQWSA-N 1 0 394.507 4.279 20 0 GIADRO CC(C)c1nc([C@H](C)[NH2+]CC2(c3ccc4c(c3)OCO4)CCOCC2)cs1 ZINC000186275666 822868698 /nfs/dbraw/zinc/86/86/98/822868698.db2.gz LGDIJPHKLTYSQT-HNNXBMFYSA-N 1 0 388.533 4.394 20 0 GIADRO COc1ccccc1[C@H]1[C@@H]([NH3+])CCCN1C(=O)CCCCOc1cccc(C)c1 ZINC000457359284 822870179 /nfs/dbraw/zinc/87/01/79/822870179.db2.gz FMMPZOGDSWIXMR-URXFXBBRSA-N 1 0 396.531 4.244 20 0 GIADRO COc1ccc([C@@H]2CCN(C(=O)c3cc4cc(C)c(C)cc4o3)C[C@@H]2[NH3+])cc1F ZINC000457364098 822870625 /nfs/dbraw/zinc/87/06/25/822870625.db2.gz AYGJLZLTUDNWQY-HKUYNNGSSA-N 1 0 396.462 4.154 20 0 GIADRO CC[C@H](CNC(=O)C1CC[NH+](C(C)C)CC1)Cc1cccc(Br)c1 ZINC000175029933 822870974 /nfs/dbraw/zinc/87/09/74/822870974.db2.gz YXXWWFLDSBYSTA-INIZCTEOSA-N 1 0 395.385 4.254 20 0 GIADRO Cc1ccc(C)c2c1CCC[C@H]2[NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1 ZINC000186288510 822871275 /nfs/dbraw/zinc/87/12/75/822871275.db2.gz ABCFVJJUMKHZJW-OAQYLSRUSA-N 1 0 384.545 4.011 20 0 GIADRO Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1 ZINC000186288488 822871284 /nfs/dbraw/zinc/87/12/84/822871284.db2.gz ABCFVJJUMKHZJW-NRFANRHFSA-N 1 0 384.545 4.011 20 0 GIADRO CC(C)Oc1ccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c(Cl)c1 ZINC000457376647 822871236 /nfs/dbraw/zinc/87/12/36/822871236.db2.gz AXILRTSNOJOBQA-GOSISDBHSA-N 1 0 376.884 4.287 20 0 GIADRO CC(C)Oc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c(Cl)c1 ZINC000457376649 822871366 /nfs/dbraw/zinc/87/13/66/822871366.db2.gz AXILRTSNOJOBQA-SFHVURJKSA-N 1 0 376.884 4.287 20 0 GIADRO Cc1cc(C[NH3+])cc(NC(=O)c2occc2CN2c3ccccc3C[C@@H]2C)c1 ZINC000457377723 822871465 /nfs/dbraw/zinc/87/14/65/822871465.db2.gz NHAIPDCIVJDZJB-INIZCTEOSA-N 1 0 375.472 4.250 20 0 GIADRO C[C@@H]([NH2+]C[C@H](c1ccc(F)cc1)N1CCOCC1)c1nccc2ccccc21 ZINC000569039609 822872131 /nfs/dbraw/zinc/87/21/31/822872131.db2.gz DOLVFHARXWMWDF-VGOFRKELSA-N 1 0 379.479 4.098 20 0 GIADRO COc1ccc([C@@H]2CCN(C(=O)[C@@H](C)c3cc4ccccc4o3)C[C@@H]2[NH3+])cc1F ZINC000457389244 822872200 /nfs/dbraw/zinc/87/22/00/822872200.db2.gz VXQGAIDNDCTGPZ-FNHZYXHNSA-N 1 0 396.462 4.027 20 0 GIADRO O=c1[nH]c(CC[N@H+]2CCC[C@@H]2c2ccc(Br)cc2)nc2ccccc21 ZINC000054271837 822872310 /nfs/dbraw/zinc/87/23/10/822872310.db2.gz FJRXTWPNKXKUGM-GOSISDBHSA-N 1 0 398.304 4.065 20 0 GIADRO COc1ccc([C@H]2CCN(C(=O)c3csc4ccccc43)C[C@@H]2[NH3+])cc1F ZINC000457389966 822872463 /nfs/dbraw/zinc/87/24/63/822872463.db2.gz WGZMWMFEJQXFLB-KDOFPFPSSA-N 1 0 384.476 4.006 20 0 GIADRO Cc1noc(C)c1COc1ccccc1C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000054287719 822873269 /nfs/dbraw/zinc/87/32/69/822873269.db2.gz HGEDBZPLHWNCGK-MRXNPFEDSA-N 1 0 399.535 4.111 20 0 GIADRO COc1cccc(OC)c1OCCCC[N@@H+]1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000569047071 822873355 /nfs/dbraw/zinc/87/33/55/822873355.db2.gz NPDLRGCABHQJDJ-QUCCMNQESA-N 1 0 385.504 4.325 20 0 GIADRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000186304222 822873488 /nfs/dbraw/zinc/87/34/88/822873488.db2.gz QCBNEQYKOLUOEY-INIZCTEOSA-N 1 0 389.927 4.308 20 0 GIADRO Cc1noc(CCC[NH2+][C@@H]2CCCc3c4cc(Br)ccc4[nH]c32)n1 ZINC000569048447 822873592 /nfs/dbraw/zinc/87/35/92/822873592.db2.gz WZVDTSYSPSOJFB-MRXNPFEDSA-N 1 0 389.297 4.222 20 0 GIADRO OC[C@H](C[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1)c1ccccc1 ZINC000175049340 822873695 /nfs/dbraw/zinc/87/36/95/822873695.db2.gz ZKTCYVIUDFREAM-FQEVSTJZSA-N 1 0 382.891 4.180 20 0 GIADRO Cc1cc(Br)c(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)s1 ZINC000457415646 822873894 /nfs/dbraw/zinc/87/38/94/822873894.db2.gz JDXLDBQLNDGVFG-MRXNPFEDSA-N 1 0 393.350 4.386 20 0 GIADRO Cc1cc(C(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C(C)C)ccc1NC(=O)CC(C)C ZINC000175051531 822874078 /nfs/dbraw/zinc/87/40/78/822874078.db2.gz LSKRKHBPXGLEED-VQTJNVASSA-N 1 0 385.552 4.067 20 0 GIADRO C[C@H](CCCC(F)(F)F)[NH2+]Cc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1 ZINC000569055475 822874614 /nfs/dbraw/zinc/87/46/14/822874614.db2.gz HNDAKIBAYOQYNE-CQSZACIVSA-N 1 0 397.441 4.266 20 0 GIADRO CCOC(=O)c1nn(C)cc1C[NH2+][C@@H](CCc1ccccc1)c1ccccc1 ZINC000186314847 822875105 /nfs/dbraw/zinc/87/51/05/822875105.db2.gz DDICOQAUAJXGQF-NRFANRHFSA-N 1 0 377.488 4.061 20 0 GIADRO O=C(CN1CCC[N@H+](CC2CCCCC2)CC1)Nc1ccccc1C(F)(F)F ZINC000054318675 822875956 /nfs/dbraw/zinc/87/59/56/822875956.db2.gz XGNZNUFEAQZPQM-UHFFFAOYSA-N 1 0 397.485 4.232 20 0 GIADRO O=C(NCC1=CC[NH2+]CC1)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1 ZINC000186323468 822876209 /nfs/dbraw/zinc/87/62/09/822876209.db2.gz CUFXKKKHSGKWPN-UHFFFAOYSA-N 1 0 378.369 4.161 20 0 GIADRO COc1ccc(OCc2ccccn2)c(C[NH2+]C[C@@H]2CCCO[C@@H]2C(C)C)c1 ZINC000175063169 822876206 /nfs/dbraw/zinc/87/62/06/822876206.db2.gz LUZZWPOMQMSYPX-FDDCHVKYSA-N 1 0 384.520 4.210 20 0 GIADRO COc1ccc(OCc2nc(C[NH2+]C[C@@H]3CCCO[C@H]3C(C)C)cs2)cc1 ZINC000175063048 822876259 /nfs/dbraw/zinc/87/62/59/822876259.db2.gz SZTLTKSJIVGHBP-KKSFZXQISA-N 1 0 390.549 4.272 20 0 GIADRO CCN(C(=O)c1cnc(-c2ccco2)s1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186324930 822876359 /nfs/dbraw/zinc/87/63/59/822876359.db2.gz HLWMDSPJPZPJMN-KRWDZBQOSA-N 1 0 381.501 4.140 20 0 GIADRO Cc1cccc([C@H]2CCCN2C(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)n1 ZINC000186325494 822876438 /nfs/dbraw/zinc/87/64/38/822876438.db2.gz SOUFFUYFEGDDLF-DHIUTWEWSA-N 1 0 392.547 4.147 20 0 GIADRO CCN(C(=O)c1ccc(C(F)(F)F)nc1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186326632 822876490 /nfs/dbraw/zinc/87/64/90/822876490.db2.gz UZCKEYJCUUINPM-KRWDZBQOSA-N 1 0 391.437 4.145 20 0 GIADRO Cc1csc([C@H](NC(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)C2CC2)n1 ZINC000186327228 822876502 /nfs/dbraw/zinc/87/65/02/822876502.db2.gz NXOWDCMHIMIVHW-VQTJNVASSA-N 1 0 398.576 4.112 20 0 GIADRO COCC[N@H+](Cc1nnc(-c2c(C)onc2-c2ccccc2)o1)C1CCCC1 ZINC000054339016 822876726 /nfs/dbraw/zinc/87/67/26/822876726.db2.gz WNGAHSIZZMCQMN-UHFFFAOYSA-N 1 0 382.464 4.091 20 0 GIADRO CCN(C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1)[C@@H](C)c1cccnc1 ZINC000186329012 822876789 /nfs/dbraw/zinc/87/67/89/822876789.db2.gz NUBAEJDNEMFUSW-PGRDOPGGSA-N 1 0 380.536 4.085 20 0 GIADRO CCOC(=O)c1nn(C)cc1C[NH2+]Cc1ccccc1-c1ccc(Cl)cc1 ZINC000186331412 822877267 /nfs/dbraw/zinc/87/72/67/822877267.db2.gz LMICDZTUMOYCPZ-UHFFFAOYSA-N 1 0 383.879 4.207 20 0 GIADRO CCc1ccc([C@H](C)NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000457460923 822877313 /nfs/dbraw/zinc/87/73/13/822877313.db2.gz OBYUAMKRBGDDEA-HNNXBMFYSA-N 1 0 385.474 4.368 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2ccccc2Br)C1 ZINC000054348196 822877521 /nfs/dbraw/zinc/87/75/21/822877521.db2.gz SAJGGWJDERUPFI-ZBFHGGJFSA-N 1 0 388.309 4.406 20 0 GIADRO CCN(C(=O)c1ccc(NC(=O)C(C)C)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186332246 822877507 /nfs/dbraw/zinc/87/75/07/822877507.db2.gz AENBRGYGLITZEH-QFIPXVFZSA-N 1 0 393.531 4.018 20 0 GIADRO Cc1cc(C)c(NC(=O)[C@H](C)[NH2+][C@@H](C)C2CCN(CC(F)(F)F)CC2)c(C)c1 ZINC000569083586 822878363 /nfs/dbraw/zinc/87/83/63/822878363.db2.gz CGNNYDCQBMPQHV-IRXDYDNUSA-N 1 0 399.501 4.191 20 0 GIADRO O=C(Nc1ccc(C(=O)N2CCC[C@H]2C[NH+]2CCCC2)s1)Nc1ccccc1 ZINC000175078468 822878434 /nfs/dbraw/zinc/87/84/34/822878434.db2.gz HXHSQZYOOWSRFW-KRWDZBQOSA-N 1 0 398.532 4.093 20 0 GIADRO Cc1cc(C)c(NC(=O)[C@H](C)[NH2+][C@H](C)C2CCN(CC(F)(F)F)CC2)c(C)c1 ZINC000569083587 822878426 /nfs/dbraw/zinc/87/84/26/822878426.db2.gz CGNNYDCQBMPQHV-SJORKVTESA-N 1 0 399.501 4.191 20 0 GIADRO COc1ccccc1-c1nc(CN2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)cs1 ZINC000569087674 822878684 /nfs/dbraw/zinc/87/86/84/822878684.db2.gz JDQBOBMGCPWSPV-FQEVSTJZSA-N 1 0 393.556 4.177 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)NCc1cnc(C2CC2)o1)c1ccccc1Cl ZINC000457475485 822878936 /nfs/dbraw/zinc/87/89/36/822878936.db2.gz HHZDCQMPMDFCMT-SFHVURJKSA-N 1 0 390.915 4.088 20 0 GIADRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]Cc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000186347536 822879660 /nfs/dbraw/zinc/87/96/60/822879660.db2.gz KMPLGIPLIIQQII-HOTGVXAUSA-N 1 0 375.538 4.360 20 0 GIADRO Cc1noc(-c2ccc(C)c(NC(=O)c3ccccc3CC3CC[NH2+]CC3)c2)n1 ZINC000569104298 822880118 /nfs/dbraw/zinc/88/01/18/822880118.db2.gz DEQHOXIIEICKNE-UHFFFAOYSA-N 1 0 390.487 4.148 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)c2nn(-c3ccccc3)cc2C)CC1 ZINC000186352958 822880710 /nfs/dbraw/zinc/88/07/10/822880710.db2.gz SQVPDOGVIRRROT-UHFFFAOYSA-N 1 0 382.552 4.155 20 0 GIADRO Cc1ccccc1CN(C)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000054393608 822881484 /nfs/dbraw/zinc/88/14/84/822881484.db2.gz RLMHVMGVDLUYPP-UHFFFAOYSA-N 1 0 385.939 4.454 20 0 GIADRO CC[C@H](CC(F)F)C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000457497561 822881782 /nfs/dbraw/zinc/88/17/82/822881782.db2.gz JZJHWTYJHAIDAO-CQSZACIVSA-N 1 0 391.300 4.021 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]Cc1ccc2c(c1)COC(C)(C)O2 ZINC000186359670 822881894 /nfs/dbraw/zinc/88/18/94/822881894.db2.gz DBLKOEKYWNIGLO-UHFFFAOYSA-N 1 0 377.488 4.424 20 0 GIADRO CC(C)(C)[C@H]([NH2+]CC(=O)Nc1cccc(N2CCCC2=O)c1)c1ccccc1 ZINC000054397315 822882000 /nfs/dbraw/zinc/88/20/00/822882000.db2.gz BLCPBKFCFCVZEM-JOCHJYFZSA-N 1 0 379.504 4.129 20 0 GIADRO CCN(CC)C(=O)c1cccc(NC(=O)C[NH2+][C@H](c2ccccc2)C(C)(C)C)c1 ZINC000054397177 822882114 /nfs/dbraw/zinc/88/21/14/822882114.db2.gz PYWMEAOSGXPBAF-JOCHJYFZSA-N 1 0 395.547 4.484 20 0 GIADRO Clc1ccc2c(c1)nc(CN1CCC3(CC[NH2+]3)CC1)n2Cc1ccccc1 ZINC000569129234 822882183 /nfs/dbraw/zinc/88/21/83/822882183.db2.gz NCARAPOEPWZHAN-UHFFFAOYSA-N 1 0 380.923 4.066 20 0 GIADRO CC(C)C(=O)Nc1cccc(NC(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000054406253 822882532 /nfs/dbraw/zinc/88/25/32/822882532.db2.gz VVJACPQHMBBGJQ-IAGOWNOFSA-N 1 0 388.556 4.159 20 0 GIADRO Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000175103378 822882567 /nfs/dbraw/zinc/88/25/67/822882567.db2.gz FTKQQUFTLQULPD-HSALFYBXSA-N 1 0 383.561 4.218 20 0 GIADRO Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000175103564 822882693 /nfs/dbraw/zinc/88/26/93/822882693.db2.gz DIBQMDDRXPMEIY-HOJAQTOUSA-N 1 0 385.577 4.464 20 0 GIADRO C[C@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)N1CCN(c2ncc[nH]2)CC1 ZINC000569136786 822882904 /nfs/dbraw/zinc/88/29/04/822882904.db2.gz UKNQEEJPFWDBQU-GFCCVEGCSA-N 1 0 392.290 4.255 20 0 GIADRO CCC(=O)Nc1ccc(C)c(NC(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000054412264 822883479 /nfs/dbraw/zinc/88/34/79/822883479.db2.gz ALZHGWUAODRBDW-IYBDPMFKSA-N 1 0 388.556 4.222 20 0 GIADRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1cncc(Cl)c1C ZINC000457512162 822884048 /nfs/dbraw/zinc/88/40/48/822884048.db2.gz UFAPHANMTLRKCG-UHFFFAOYSA-N 1 0 375.925 4.153 20 0 GIADRO COc1ccc(CC[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)c(OC)c1OC ZINC000569149768 822884365 /nfs/dbraw/zinc/88/43/65/822884365.db2.gz QEZKJGWUGQDPCQ-LJQANCHMSA-N 1 0 380.488 4.403 20 0 GIADRO O=C(CC[NH+]1CCC(OCc2ccccc2)CC1)N[C@@H]1CCCc2ccccc21 ZINC000054429390 822884494 /nfs/dbraw/zinc/88/44/94/822884494.db2.gz CCHTZWJPPROUHT-XMMPIXPASA-N 1 0 392.543 4.252 20 0 GIADRO CCOc1cc(NC(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)ccc1OC ZINC000054434523 822885200 /nfs/dbraw/zinc/88/52/00/822885200.db2.gz RBPQXRSMRCXOPG-LPHOPBHVSA-N 1 0 383.492 4.051 20 0 GIADRO CC(C)(C)OC(=O)N1CC[C@H](CC[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000186380499 822885230 /nfs/dbraw/zinc/88/52/30/822885230.db2.gz HWLBOZRRUPKMMC-INIZCTEOSA-N 1 0 390.524 4.068 20 0 GIADRO CC1(C)OCc2cc(C[NH2+]CCc3coc(-c4ccc(F)cc4)n3)ccc2O1 ZINC000186381628 822885406 /nfs/dbraw/zinc/88/54/06/822885406.db2.gz PNJIVHCODJRNBV-UHFFFAOYSA-N 1 0 382.435 4.458 20 0 GIADRO CC[C@H](NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)c1ccncc1 ZINC000175120357 822886060 /nfs/dbraw/zinc/88/60/60/822886060.db2.gz XPUSDEDBYIKSEJ-AVRDEDQJSA-N 1 0 380.536 4.264 20 0 GIADRO CC[C@@H](NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)c1ccncc1 ZINC000175120373 822886093 /nfs/dbraw/zinc/88/60/93/822886093.db2.gz XPUSDEDBYIKSEJ-PGRDOPGGSA-N 1 0 380.536 4.264 20 0 GIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2nnc(-c3ccsc3)s2)C1 ZINC000054451143 822887043 /nfs/dbraw/zinc/88/70/43/822887043.db2.gz ZRFKVVXKJVGSFM-BBRMVZONSA-N 1 0 399.545 4.224 20 0 GIADRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)CCSc1ccnc2cc(Cl)ccc21 ZINC000569165542 822887237 /nfs/dbraw/zinc/88/72/37/822887237.db2.gz SDSXYCLYJKGZRQ-CQSZACIVSA-N 1 0 379.957 4.215 20 0 GIADRO COCC(C)(C)CCC[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000569166358 822887313 /nfs/dbraw/zinc/88/73/13/822887313.db2.gz JGNIYYRKLTYIRR-UHFFFAOYSA-N 1 0 380.330 4.382 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)N1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000457534842 822887345 /nfs/dbraw/zinc/88/73/45/822887345.db2.gz UMSJYIUIFXCEHR-SFTDATJTSA-N 1 0 387.955 4.134 20 0 GIADRO Cc1cc(C)n(-c2ccccc2C[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)n1 ZINC000186395748 822887551 /nfs/dbraw/zinc/88/75/51/822887551.db2.gz BXVWDOPHAQXEHM-UHFFFAOYSA-N 1 0 377.488 4.424 20 0 GIADRO C[C@@H](Nc1ccc(N2CC[NH+](C)CC2)cc1)c1ccc(Br)cc1O ZINC000186401541 822888457 /nfs/dbraw/zinc/88/84/57/822888457.db2.gz USWJZUGNGPPJQU-CQSZACIVSA-N 1 0 390.325 4.080 20 0 GIADRO COc1ccc(C[N@H+](Cc2cnc3cnccn23)[C@@H]2CCCC[C@H]2C)cc1OC ZINC000569172468 822888580 /nfs/dbraw/zinc/88/85/80/822888580.db2.gz LMVPHNXSVQEHII-YLJYHZDGSA-N 1 0 394.519 4.327 20 0 GIADRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)c2cc(Br)co2)CC1 ZINC000457546992 822888981 /nfs/dbraw/zinc/88/89/81/822888981.db2.gz YAPAQBNBBWFEJE-UHFFFAOYSA-N 1 0 391.309 4.026 20 0 GIADRO C[N@@H+]1CCC[C@@H](CCNC(=O)NCc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000457550409 822889435 /nfs/dbraw/zinc/88/94/35/822889435.db2.gz CBCYLGHVAPSGRL-HNNXBMFYSA-N 1 0 398.532 4.087 20 0 GIADRO C[C@@H]([NH2+]CCc1cn(C)c2cc(F)ccc12)c1ncc(Br)s1 ZINC000186408975 822889852 /nfs/dbraw/zinc/88/98/52/822889852.db2.gz WJAXXLQMAWSFEX-SNVBAGLBSA-N 1 0 382.302 4.430 20 0 GIADRO CC[C@]1(C)Oc2ccc(NC(=O)N3CCN(C)C[C@@H]3c3ccccc3)cc2O1 ZINC000569185395 822890007 /nfs/dbraw/zinc/89/00/07/822890007.db2.gz ACDULQHBPKETMP-XMSQKQJNSA-N 1 0 381.476 4.105 20 0 GIADRO C[C@H]([NH2+][C@H]1CCO[C@H](c2nccn2C)C1)c1csc(-c2ccccc2F)n1 ZINC000569198207 822891593 /nfs/dbraw/zinc/89/15/93/822891593.db2.gz ZZDREFDPZYRBDY-DEYYWGMASA-N 1 0 386.496 4.254 20 0 GIADRO O=C(Nc1ccc(NC(=O)c2ccco2)cc1)NC1CC[NH+](C2CCCC2)CC1 ZINC000175148466 822892028 /nfs/dbraw/zinc/89/20/28/822892028.db2.gz DONOBKGPSCCOMB-UHFFFAOYSA-N 1 0 396.491 4.060 20 0 GIADRO CN(C(=O)NCC1(c2ccccc2)CCC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457572637 822893071 /nfs/dbraw/zinc/89/30/71/822893071.db2.gz MLVAZGJQQKZKLK-UHFFFAOYSA-N 1 0 397.485 4.167 20 0 GIADRO [NH3+]Cc1ccc(NC(=O)NCc2nc3c(s2)C[C@H](c2ccccc2)CC3)cc1 ZINC000569212278 822893463 /nfs/dbraw/zinc/89/34/63/822893463.db2.gz KPGYPPVQHZOKQX-QGZVFWFLSA-N 1 0 392.528 4.196 20 0 GIADRO Cc1ccc([C@@H](OC[C@@H](O)C[NH2+]Cc2ccc(C)c(C)n2)c2ccccc2)cc1 ZINC000569214700 822893763 /nfs/dbraw/zinc/89/37/63/822893763.db2.gz ZHNOVJNVQIDSHF-DQEYMECFSA-N 1 0 390.527 4.264 20 0 GIADRO Brc1ccccc1C1(c2noc(C3CC[NH+](C4CC4)CC3)n2)CC1 ZINC000569231815 822894950 /nfs/dbraw/zinc/89/49/50/822894950.db2.gz RZLXJNAJOUGKHF-UHFFFAOYSA-N 1 0 388.309 4.254 20 0 GIADRO Cc1oc2ccc(NC(=O)NC3CC[NH+](Cc4ccccn4)CC3)cc2c1C ZINC000186435440 822894977 /nfs/dbraw/zinc/89/49/77/822894977.db2.gz ZBKSFGWMTSWKRG-UHFFFAOYSA-N 1 0 378.476 4.231 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC1(c2ccc(F)cc2)CC1 ZINC000175163334 822895593 /nfs/dbraw/zinc/89/55/93/822895593.db2.gz MOJAMUSOKHHYFC-HXUWFJFHSA-N 1 0 395.522 4.021 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)c3cccc([C@@H]4CCOC4)c3)C2)s1 ZINC000569249538 822896205 /nfs/dbraw/zinc/89/62/05/822896205.db2.gz HZPRXPFDOVXBIX-WIYYLYMNSA-N 1 0 398.572 4.155 20 0 GIADRO Cc1cc(Br)c(C(=O)NC2CC[NH+](C3CCCCC3)CC2)s1 ZINC000457609033 822896987 /nfs/dbraw/zinc/89/69/87/822896987.db2.gz JNDNWXUFFFJHOK-UHFFFAOYSA-N 1 0 385.371 4.346 20 0 GIADRO CC(C)(Cc1ccccc1)C(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000569252693 822896962 /nfs/dbraw/zinc/89/69/62/822896962.db2.gz LIFQNPJMAKJAFQ-VWLOTQADSA-N 1 0 376.544 4.380 20 0 GIADRO CCCOc1c(Br)cc(C[N@H+](C)[C@H]2CCN(C)C[C@@H]2C)cc1OC ZINC000569255101 822897306 /nfs/dbraw/zinc/89/73/06/822897306.db2.gz UNIDYKQUIPMGTB-YOEHRIQHSA-N 1 0 399.373 4.019 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc(-c3cncnc3)cc2F)cc1 ZINC000186449774 822897526 /nfs/dbraw/zinc/89/75/26/822897526.db2.gz WQDWVBWOMADUFY-UHFFFAOYSA-N 1 0 392.478 4.055 20 0 GIADRO COc1cc(C[NH2+]C[C@H](C)Cn2cccn2)ccc1OCc1ccc(F)cc1 ZINC000569261446 822897745 /nfs/dbraw/zinc/89/77/45/822897745.db2.gz FXYVTOKHPACWDV-KRWDZBQOSA-N 1 0 383.467 4.036 20 0 GIADRO CCC(=O)Nc1ccc(Cl)c(NC(=O)NC[C@H](C(CC)CC)[NH+](C)C)c1 ZINC000175180053 822898676 /nfs/dbraw/zinc/89/86/76/822898676.db2.gz MCQFOBAMTXMKSL-QGZVFWFLSA-N 1 0 382.936 4.176 20 0 GIADRO COCCOc1cccc(-c2noc(-c3ccc(C[NH+]4CCCC4)cc3)n2)c1 ZINC000569271284 822899008 /nfs/dbraw/zinc/89/90/08/822899008.db2.gz UHVYQUIWOVXZLF-UHFFFAOYSA-N 1 0 379.460 4.025 20 0 GIADRO Cc1cc(Br)c(C(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)s1 ZINC000457635868 822899419 /nfs/dbraw/zinc/89/94/19/822899419.db2.gz JOZINUOXCYQISQ-DOMZBBRYSA-N 1 0 393.350 4.212 20 0 GIADRO CC(C)[C@@H]1N(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC12CCCCC2 ZINC000457635934 822899513 /nfs/dbraw/zinc/89/95/13/822899513.db2.gz JPFGRAAKALGIDF-NRFANRHFSA-N 1 0 384.568 4.046 20 0 GIADRO Cn1c(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)nnc1-c1ccc(Cl)cc1 ZINC000186465120 822899772 /nfs/dbraw/zinc/89/97/72/822899772.db2.gz QWGPDQGUQNTERR-JXFKEZNVSA-N 1 0 396.922 4.393 20 0 GIADRO C[C@H]([NH2+]C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)c1ccccn1 ZINC000186464913 822899830 /nfs/dbraw/zinc/89/98/30/822899830.db2.gz YCDMTOFXWQETNM-AWEZNQCLSA-N 1 0 377.410 4.056 20 0 GIADRO C[C@@H]([NH2+]C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)c1ccncc1 ZINC000186468297 822900333 /nfs/dbraw/zinc/90/03/33/822900333.db2.gz ZNCAVGRNQBOAKR-CQSZACIVSA-N 1 0 377.410 4.056 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@H](C)CSc2ccc(C)cc2)ccc1S(C)(=O)=O ZINC000186469729 822900512 /nfs/dbraw/zinc/90/05/12/822900512.db2.gz XGHOVCSYDCYNOA-CVEARBPZSA-N 1 0 393.574 4.239 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)N2CCC(c3cccc(F)c3F)CC2)cc1 ZINC000569290598 822902440 /nfs/dbraw/zinc/90/24/40/822902440.db2.gz FCTJHHVVKYNTBA-UHFFFAOYSA-N 1 0 387.474 4.116 20 0 GIADRO CC(=O)NCC[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2OC2CCCC2)C1 ZINC000569291827 822902610 /nfs/dbraw/zinc/90/26/10/822902610.db2.gz SUGVWEIDYRGHHK-KRWDZBQOSA-N 1 0 378.944 4.400 20 0 GIADRO CC[C@H](CC(F)F)C(=O)Nc1c(C)cnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000457661592 822902953 /nfs/dbraw/zinc/90/29/53/822902953.db2.gz IHQSKPOBCDAHNU-MSOLQXFVSA-N 1 0 390.478 4.258 20 0 GIADRO CC(C)c1ccccc1OCC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000569298885 822903649 /nfs/dbraw/zinc/90/36/49/822903649.db2.gz DKAFQJNNUWJOTJ-VXKWHMMOSA-N 1 0 392.543 4.169 20 0 GIADRO Cc1ccc(Oc2ccc(C(=O)N3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)nc2)cc1 ZINC000457669058 822903964 /nfs/dbraw/zinc/90/39/64/822903964.db2.gz KMYLCIJHBAAJCR-FDDCHVKYSA-N 1 0 391.515 4.271 20 0 GIADRO Cc1c([C@@H](C)[NH2+][C@@H]2CCc3cnn(C(C)C)c3C2)nnn1-c1cccc(Cl)c1 ZINC000569300626 822904314 /nfs/dbraw/zinc/90/43/14/822904314.db2.gz CSIMYLYYWLZTJC-RDTXWAMCSA-N 1 0 398.942 4.215 20 0 GIADRO CC(=O)N(Cc1ccc(NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)cc1)C(C)C ZINC000569307001 822905039 /nfs/dbraw/zinc/90/50/39/822905039.db2.gz PQNCXMQAHUBZRH-JOCHJYFZSA-N 1 0 385.552 4.179 20 0 GIADRO CCCOC[C@@H](Cc1cccc(Br)c1)[NH2+][C@H](C)c1cn(C)nc1C ZINC000186502816 822905878 /nfs/dbraw/zinc/90/58/78/822905878.db2.gz FQODJZHOEQFUCL-RDTXWAMCSA-N 1 0 394.357 4.180 20 0 GIADRO O=C(Nc1ccc(Oc2ccccc2F)nc1)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000569320487 822907158 /nfs/dbraw/zinc/90/71/58/822907158.db2.gz YMVCDVFSMVNFKS-LPHOPBHVSA-N 1 0 398.482 4.399 20 0 GIADRO C[C@H]([NH2+]Cc1cn(C)nc1-c1ccccc1)c1cc(Br)ccc1O ZINC000186520871 822907799 /nfs/dbraw/zinc/90/77/99/822907799.db2.gz LEACYFFCVCOUBV-ZDUSSCGKSA-N 1 0 386.293 4.406 20 0 GIADRO Cc1ccc([C@H](C)NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)s1 ZINC000054729118 822907925 /nfs/dbraw/zinc/90/79/25/822907925.db2.gz MCRATWULDOIWDJ-HNNXBMFYSA-N 1 0 375.513 4.220 20 0 GIADRO C[C@H]([NH3+])c1ccc(CNC(=O)C(C)(C)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000569331697 822908548 /nfs/dbraw/zinc/90/85/48/822908548.db2.gz JSHGQCAJMFDTPL-ZDUSSCGKSA-N 1 0 380.410 4.199 20 0 GIADRO O=C(Nc1ccc2c(c1)C[NH2+]CC2)N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000569331506 822908554 /nfs/dbraw/zinc/90/85/54/822908554.db2.gz SXQRZCRLRMOTMX-RHDGDCLCSA-N 1 0 389.421 4.419 20 0 GIADRO CCOc1cc(NC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1OC ZINC000175225623 822908971 /nfs/dbraw/zinc/90/89/71/822908971.db2.gz ASBZTZQOIHQZIP-IBGZPJMESA-N 1 0 397.519 4.080 20 0 GIADRO O=C(NCCC[C@@H]1CCC[NH2+]1)[C@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000569350640 822910591 /nfs/dbraw/zinc/91/05/91/822910591.db2.gz QMKCPMHVNBUSBG-PMVMPFDFSA-N 1 0 378.516 4.018 20 0 GIADRO Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(C(=O)Cc2cccc(C(C)C)c2)C1 ZINC000457722593 822910823 /nfs/dbraw/zinc/91/08/23/822910823.db2.gz DWNOVKMFRZZHBL-LJQANCHMSA-N 1 0 385.577 4.098 20 0 GIADRO COc1ccc([C@H](CN(C)C)[NH2+][C@@H](C)CC(=O)Nc2ccccc2C(C)C)cc1 ZINC000569364443 822911658 /nfs/dbraw/zinc/91/16/58/822911658.db2.gz RHUWLCCDMROPIJ-MBSDFSHPSA-N 1 0 397.563 4.428 20 0 GIADRO Cc1cc(Br)c(C(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)s1 ZINC000457733925 822912293 /nfs/dbraw/zinc/91/22/93/822912293.db2.gz JXKXQWAZQCWNEF-IUODEOHRSA-N 1 0 381.339 4.240 20 0 GIADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1cccc(COc2cccc(F)c2)c1 ZINC000569373103 822912693 /nfs/dbraw/zinc/91/26/93/822912693.db2.gz GDZGBQYPYQCXOT-HTAPYJJXSA-N 1 0 397.494 4.495 20 0 GIADRO O=C(Cc1cnc2ccccc2c1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000569373179 822912752 /nfs/dbraw/zinc/91/27/52/822912752.db2.gz WQPSWZJGABBBLS-UHFFFAOYSA-N 1 0 399.538 4.292 20 0 GIADRO CC(C)Cc1ccc([C@@H](C[NH2+]C2CCN(Cc3ccccn3)CC2)N(C)C)cc1 ZINC000569373235 822912774 /nfs/dbraw/zinc/91/27/74/822912774.db2.gz JXAMOLYPOSEISV-RUZDIDTESA-N 1 0 394.607 4.137 20 0 GIADRO Cn1c2ccccc2nc1C(C)(C)[NH2+]C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000186563323 822913829 /nfs/dbraw/zinc/91/38/29/822913829.db2.gz ZGZBPLRDSWINPX-HNNXBMFYSA-N 1 0 391.437 4.020 20 0 GIADRO O=C(/C=C/c1cc2ccccc2o1)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000186563978 822913877 /nfs/dbraw/zinc/91/38/77/822913877.db2.gz VBGYRFYBBRWYAR-CTDFXDFQSA-N 1 0 375.472 4.012 20 0 GIADRO C[C@H]1CCC[N@H+](CCCCNC(=O)N2CC(c3cccc(C(F)(F)F)c3)C2)C1 ZINC000457746862 822913931 /nfs/dbraw/zinc/91/39/31/822913931.db2.gz SZTGWPBALORSEY-INIZCTEOSA-N 1 0 397.485 4.326 20 0 GIADRO COc1ccc([C@H](NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)c2ccco2)cc1 ZINC000457752311 822914779 /nfs/dbraw/zinc/91/47/79/822914779.db2.gz XCPZTNMDMSDOGV-AVRDEDQJSA-N 1 0 399.535 4.331 20 0 GIADRO Cc1cccc(C)c1NC(=O)CCC[NH2+]C(C)(C)c1nc2ccccc2n1C ZINC000186573078 822915518 /nfs/dbraw/zinc/91/55/18/822915518.db2.gz SCULBCKOTMRJHA-UHFFFAOYSA-N 1 0 378.520 4.434 20 0 GIADRO Cc1ccc([C@@H]([NH2+]CCSC(C)C)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000569396162 822916215 /nfs/dbraw/zinc/91/62/15/822916215.db2.gz DDOYJQWVNMMBRN-HXUWFJFHSA-N 1 0 377.575 4.219 20 0 GIADRO CC(C)Sc1ccc(C(=O)N(Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000186579262 822916595 /nfs/dbraw/zinc/91/65/95/822916595.db2.gz OPZMUKJRNQXVEW-FQEVSTJZSA-N 1 0 383.561 4.367 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000054839010 822916680 /nfs/dbraw/zinc/91/66/80/822916680.db2.gz ZXSDOUUZMZGPLM-MRXNPFEDSA-N 1 0 386.565 4.352 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000054839477 822916986 /nfs/dbraw/zinc/91/69/86/822916986.db2.gz KPBPDDRSMDEVPP-CGTJXYLNSA-N 1 0 384.549 4.106 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000054839121 822916997 /nfs/dbraw/zinc/91/69/97/822916997.db2.gz BXGZPIPEFFOBQG-HNNXBMFYSA-N 1 0 384.549 4.106 20 0 GIADRO CCCCc1nnc(N2CCC[C@H]([NH+]3CCCC3)CC2)n1Cc1ccccc1 ZINC000569401069 822917324 /nfs/dbraw/zinc/91/73/24/822917324.db2.gz NBYAPPGHLHNHBO-NRFANRHFSA-N 1 0 381.568 4.124 20 0 GIADRO CC(C)Oc1ccc(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC000457772351 822917522 /nfs/dbraw/zinc/91/75/22/822917522.db2.gz VXYQFXHTWFFHRB-SFHVURJKSA-N 1 0 386.923 4.379 20 0 GIADRO O=C(Cc1c(Cl)cccc1Cl)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000186584546 822917604 /nfs/dbraw/zinc/91/76/04/822917604.db2.gz XDCKWRGODYFAGX-MRXNPFEDSA-N 1 0 392.330 4.102 20 0 GIADRO COc1cc(C[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)ccc1OC(F)F ZINC000186586979 822918091 /nfs/dbraw/zinc/91/80/91/822918091.db2.gz GNZSBUCEONYRKH-UHFFFAOYSA-N 1 0 395.421 4.005 20 0 GIADRO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2cccc3c(Br)cccc23)C1 ZINC000569418713 822920436 /nfs/dbraw/zinc/92/04/36/822920436.db2.gz FSDMFVBZTQOJMT-INIZCTEOSA-N 1 0 387.321 4.189 20 0 GIADRO Fc1ccccc1OCC[NH2+]C1(c2cccc(OC(F)(F)F)c2)CCOCC1 ZINC000569432750 822922525 /nfs/dbraw/zinc/92/25/25/822922525.db2.gz BWGSNQBVGFATLZ-UHFFFAOYSA-N 1 0 399.384 4.399 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc2c(cccc2F)[nH]1 ZINC000175279844 822923077 /nfs/dbraw/zinc/92/30/77/822923077.db2.gz HEFYZNGJPOVILW-SFHVURJKSA-N 1 0 379.479 4.291 20 0 GIADRO CCc1ccccc1NC(=S)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000054939553 822923232 /nfs/dbraw/zinc/92/32/32/822923232.db2.gz VCRPYQBZOYLETB-UHFFFAOYSA-N 1 0 396.604 4.138 20 0 GIADRO Brc1cncc(C[NH2+]Cc2ccnc(OC3CCCCC3)c2)c1 ZINC000186612515 822923562 /nfs/dbraw/zinc/92/35/62/822923562.db2.gz ILBBOBNDSOSQOC-UHFFFAOYSA-N 1 0 376.298 4.240 20 0 GIADRO O=C(CCc1ccc2ccccc2c1)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000186615658 822923887 /nfs/dbraw/zinc/92/38/87/822923887.db2.gz ODXGJFIUWQLYJB-XMMPIXPASA-N 1 0 387.527 4.338 20 0 GIADRO Cc1cc(Br)c(C(=O)N(C)CCC[N@H+](C)Cc2ccco2)s1 ZINC000457834572 822924025 /nfs/dbraw/zinc/92/40/25/822924025.db2.gz KOSHDVXTIKMOJK-UHFFFAOYSA-N 1 0 385.327 4.006 20 0 GIADRO COc1ccc(C[NH2+]Cc2cncc(Br)c2)cc1OC1CCCC1 ZINC000186619405 822924571 /nfs/dbraw/zinc/92/45/71/822924571.db2.gz HRTXKFWLKIKWHI-UHFFFAOYSA-N 1 0 391.309 4.464 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)Nc2ccc(F)c(F)c2F)CC1 ZINC000175287442 822925059 /nfs/dbraw/zinc/92/50/59/822925059.db2.gz NPENKMQODYIOIK-UHFFFAOYSA-N 1 0 377.410 4.232 20 0 GIADRO CN(CC1CC[NH+](C)CC1)C(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1 ZINC000186631538 822926489 /nfs/dbraw/zinc/92/64/89/822926489.db2.gz WPQAIMVHVYJBKE-UHFFFAOYSA-N 1 0 396.409 4.259 20 0 GIADRO C[C@@H](NC(=O)NC(C)(C)CCC[NH+](C)C)c1cccc(OCc2ccccn2)c1 ZINC000457880408 822928142 /nfs/dbraw/zinc/92/81/42/822928142.db2.gz RFAIJAWIACGCHR-GOSISDBHSA-N 1 0 398.551 4.141 20 0 GIADRO C[C@H](CC(F)(F)F)C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000457886087 822928612 /nfs/dbraw/zinc/92/86/12/822928612.db2.gz VWTRQXJMWYBOSU-LLVKDONJSA-N 1 0 378.822 4.340 20 0 GIADRO Cc1cc(C)c(CCNC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)c(C)c1 ZINC000457890394 822929231 /nfs/dbraw/zinc/92/92/31/822929231.db2.gz VOJBDMIQVIBFNH-UHFFFAOYSA-N 1 0 399.501 4.213 20 0 GIADRO C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+][C@H]1CCCc2[nH]c(=O)ccc21 ZINC000569507488 822931547 /nfs/dbraw/zinc/93/15/47/822931547.db2.gz DRDUFQHOYOBJMP-ZBEGNZNMSA-N 1 0 379.273 4.287 20 0 GIADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)COc2ccc(C(C)C)cc2)c1 ZINC000569518942 822933557 /nfs/dbraw/zinc/93/35/57/822933557.db2.gz LVMNPCLCBOUGJV-UHFFFAOYSA-N 1 0 397.519 4.108 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCC1)N1CCC(OCC2CCCC2)CC1 ZINC000175319052 822933606 /nfs/dbraw/zinc/93/36/06/822933606.db2.gz GQTQDVWYWASGLS-UHFFFAOYSA-N 1 0 399.579 4.163 20 0 GIADRO COC(=O)c1sc2ccccc2c1C[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186672793 822934286 /nfs/dbraw/zinc/93/42/86/822934286.db2.gz HVMVVSMKSDTEAC-JOCHJYFZSA-N 1 0 379.481 4.319 20 0 GIADRO CCOC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(-c2nc(CC(F)(F)F)no2)c1 ZINC000569535082 822935959 /nfs/dbraw/zinc/93/59/59/822935959.db2.gz UJMJEFAURFOHRG-HOTGVXAUSA-N 1 0 383.414 4.136 20 0 GIADRO CCOC[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(-c2nc(CC(F)(F)F)no2)c1 ZINC000569535075 822936027 /nfs/dbraw/zinc/93/60/27/822936027.db2.gz UJMJEFAURFOHRG-CVEARBPZSA-N 1 0 383.414 4.136 20 0 GIADRO CCOC[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(-c2nc(CC(F)(F)F)no2)c1 ZINC000569535089 822936088 /nfs/dbraw/zinc/93/60/88/822936088.db2.gz UJMJEFAURFOHRG-JKSUJKDBSA-N 1 0 383.414 4.136 20 0 GIADRO CCOc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1ccc(OC)c(NC(C)=O)c1)CCO2 ZINC000186700579 822940425 /nfs/dbraw/zinc/94/04/25/822940425.db2.gz HNIJNFSCLYBCLB-LIRRHRJNSA-N 1 0 384.476 4.227 20 0 GIADRO CC(C)Oc1ccccc1[C@@H](C)[NH2+][C@H](C)C(=O)NC(=O)Nc1ccccc1F ZINC000055151742 822940916 /nfs/dbraw/zinc/94/09/16/822940916.db2.gz WMTZTBUJLQJRIY-HUUCEWRRSA-N 1 0 387.455 4.000 20 0 GIADRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000569569691 822941128 /nfs/dbraw/zinc/94/11/28/822941128.db2.gz AFILXASBKIPVTB-LSDHHAIUSA-N 1 0 377.941 4.044 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)N[C@H]1CCc2cc(Cl)ccc21 ZINC000457941201 822941330 /nfs/dbraw/zinc/94/13/30/822941330.db2.gz MNVQLPGLMNLORD-SFHVURJKSA-N 1 0 377.941 4.162 20 0 GIADRO O=C(Nc1nc(-c2cccc(C(F)(F)F)c2)cs1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000569572711 822941361 /nfs/dbraw/zinc/94/13/61/822941361.db2.gz LFZMXLMTJZKXFR-KRWDZBQOSA-N 1 0 396.438 4.046 20 0 GIADRO CCc1ccc([C@H](CC)[NH2+]Cc2ccc(N3CCCS3(=O)=O)c(F)c2)cc1 ZINC000186706222 822941351 /nfs/dbraw/zinc/94/13/51/822941351.db2.gz XNBNTWAKEGLTLY-FQEVSTJZSA-N 1 0 390.524 4.169 20 0 GIADRO Cc1cc(C)c([C@H](C)[NH2+]Cc2ccc(N3CCCS3(=O)=O)c(F)c2)cc1C ZINC000186712796 822942708 /nfs/dbraw/zinc/94/27/08/822942708.db2.gz YXEWWPCOHCCKNP-KRWDZBQOSA-N 1 0 390.524 4.142 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)NCc1cccc(COc2ccccc2)c1 ZINC000457964788 822945183 /nfs/dbraw/zinc/94/51/83/822945183.db2.gz UBSLLTDWJKIEEW-UHFFFAOYSA-N 1 0 383.536 4.185 20 0 GIADRO Cc1cn(-c2ccc(F)cc2)nc1-c1nc(-c2ccc(F)c(C[NH+](C)C)c2)no1 ZINC000569621430 822945966 /nfs/dbraw/zinc/94/59/66/822945966.db2.gz QUOCZAMPABTRDA-UHFFFAOYSA-N 1 0 395.413 4.238 20 0 GIADRO COc1ccc(C[N@@H+]2CCCN(C(=O)CCc3ccc([C@H]4C[C@H]4C)o3)CC2)cc1 ZINC000055209903 822946070 /nfs/dbraw/zinc/94/60/70/822946070.db2.gz NINMCTBGDLQVRC-GCJKJVERSA-N 1 0 396.531 4.079 20 0 GIADRO C[C@H](C[NH2+]CCC(=O)Nc1cccc(Br)c1)c1ccc(F)cc1 ZINC000569620906 822946137 /nfs/dbraw/zinc/94/61/37/822946137.db2.gz HGEYMDQZKPAIEQ-CYBMUJFWSA-N 1 0 379.273 4.310 20 0 GIADRO CN(Cc1ccccc1)c1ccccc1NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000175361766 822946419 /nfs/dbraw/zinc/94/64/19/822946419.db2.gz CQQVWPHNNORESQ-OAQYLSRUSA-N 1 0 392.547 4.273 20 0 GIADRO OC1(Cc2ccc(OC(F)(F)F)cc2)CC[NH+](CCc2ccccc2F)CC1 ZINC000569625627 822946575 /nfs/dbraw/zinc/94/65/75/822946575.db2.gz KYMMXLFWTIGLAF-UHFFFAOYSA-N 1 0 397.412 4.336 20 0 GIADRO CCOC(=O)c1csc(CC[NH2+]C[C@@H](C)c2ccc(C(F)(F)F)cc2)n1 ZINC000569624889 822946619 /nfs/dbraw/zinc/94/66/19/822946619.db2.gz CUUZDDPEZPBAGL-GFCCVEGCSA-N 1 0 386.439 4.274 20 0 GIADRO COc1cc(C)c(NC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1F ZINC000186737304 822947576 /nfs/dbraw/zinc/94/75/76/822947576.db2.gz UPIRKBZOTHFMLO-DLBZAZTESA-N 1 0 377.504 4.261 20 0 GIADRO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H](C)CN1CCCCCC1 ZINC000186737623 822947583 /nfs/dbraw/zinc/94/75/83/822947583.db2.gz BVLWPQRLSSUKFL-CVEARBPZSA-N 1 0 385.474 4.277 20 0 GIADRO COc1ccc(C[C@H](C)[NH2+][C@H](CO)c2cccc(Cl)c2F)c(C)c1OC ZINC000569635722 822948265 /nfs/dbraw/zinc/94/82/65/822948265.db2.gz FLTODFKBLQSLHT-YVEFUNNKSA-N 1 0 381.875 4.059 20 0 GIADRO COc1cc(C)c(NC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1F ZINC000186747039 822949049 /nfs/dbraw/zinc/94/90/49/822949049.db2.gz YGDSBLQWWOKNTF-MRXNPFEDSA-N 1 0 377.485 4.163 20 0 GIADRO C[C@@H]([NH2+]CCc1ccc(OCC(F)(F)F)nc1)c1ccc(-n2ccnc2)cc1 ZINC000186750134 822949474 /nfs/dbraw/zinc/94/94/74/822949474.db2.gz YPKSYSJDZWCUSZ-OAHLLOKOSA-N 1 0 390.409 4.102 20 0 GIADRO CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2cc(Cl)ccc2Cl)cc1 ZINC000186754536 822950316 /nfs/dbraw/zinc/95/03/16/822950316.db2.gz UGHBFFZNFXKMMW-BLLLJJGKSA-N 1 0 397.302 4.042 20 0 GIADRO COc1ccc(CCC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1Cl ZINC000055309976 822950666 /nfs/dbraw/zinc/95/06/66/822950666.db2.gz UDSXZFAIEBWDEJ-GOSISDBHSA-N 1 0 390.911 4.218 20 0 GIADRO Cn1cccc1[C@@H]1CCCCN1C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000175384954 822953900 /nfs/dbraw/zinc/95/39/00/822953900.db2.gz NGZKWUIOQVWPGY-QHCPKHFHSA-N 1 0 394.563 4.174 20 0 GIADRO CCc1cccc[n+]1C(C(=O)c1cc(C)[nH]c1C)C(=S)NCc1cccs1 ZINC000055349741 822953951 /nfs/dbraw/zinc/95/39/51/822953951.db2.gz IBXLUXAXCPFECF-UHFFFAOYSA-O 1 0 398.577 4.272 20 0 GIADRO Cc1cccc(C(C)(C)CNC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000458067851 822955125 /nfs/dbraw/zinc/95/51/25/822955125.db2.gz FNBCWNABEAPMAV-UHFFFAOYSA-N 1 0 399.501 4.331 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)NCc1ccccc1C(F)(F)F ZINC000458076255 822955663 /nfs/dbraw/zinc/95/56/63/822955663.db2.gz LPTYRVKFLFVYDK-UHFFFAOYSA-N 1 0 385.455 4.040 20 0 GIADRO Brc1ccccc1-c1cnc(C[N@@H+]2CC[C@H](c3cccnc3)C2)o1 ZINC000569689595 822955728 /nfs/dbraw/zinc/95/57/28/822955728.db2.gz NSEVRZYQEONJFK-HNNXBMFYSA-N 1 0 384.277 4.489 20 0 GIADRO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CCC(=O)Nc1cccc(Cl)c1 ZINC000175390234 822956140 /nfs/dbraw/zinc/95/61/40/822956140.db2.gz AMSAVMJCJXGMAZ-SXBQZSJRSA-N 1 0 378.925 4.099 20 0 GIADRO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2ccccc2CN2CCc3ccccc32)C1 ZINC000175389878 822956179 /nfs/dbraw/zinc/95/61/79/822956179.db2.gz NPJZMERPTVGZDQ-NRFANRHFSA-N 1 0 392.547 4.197 20 0 GIADRO O=C(NC[C@@H](c1ccccc1)C(F)(F)F)NC1CC[NH+](CC2CCCC2)CC1 ZINC000186793219 822956198 /nfs/dbraw/zinc/95/61/98/822956198.db2.gz BWYYYBPVSBBJIK-IBGZPJMESA-N 1 0 397.485 4.286 20 0 GIADRO CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)N2CC3CCC2(C[NH3+])CC3)c1 ZINC000569702451 822956687 /nfs/dbraw/zinc/95/66/87/822956687.db2.gz DXNDTYGLVXOFQU-UHFFFAOYSA-N 1 0 391.943 4.058 20 0 GIADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Cc1csc(-c2ccccc2Cl)n1 ZINC000055403352 822957896 /nfs/dbraw/zinc/95/78/96/822957896.db2.gz LLUPBKKBFCXFHE-LSDHHAIUSA-N 1 0 391.968 4.243 20 0 GIADRO CCN(CCc1ccc(C(F)(F)F)cc1)C(=O)NCC1CC[NH+](CC)CC1 ZINC000569716807 822958299 /nfs/dbraw/zinc/95/82/99/822958299.db2.gz WZVDUTQNFMPIPR-UHFFFAOYSA-N 1 0 385.474 4.011 20 0 GIADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)C2(Cc3cccc(F)c3)CCC2)CC1 ZINC000186811808 822959329 /nfs/dbraw/zinc/95/93/29/822959329.db2.gz SNGDURKNCXSDCS-GOSISDBHSA-N 1 0 395.522 4.275 20 0 GIADRO CCOc1cc(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc(Cl)c1O ZINC000186812278 822959336 /nfs/dbraw/zinc/95/93/36/822959336.db2.gz LJSCVUSSQOAXNG-HOTGVXAUSA-N 1 0 394.943 4.171 20 0 GIADRO O=C(N1Cc2cccc(F)c2C1)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000458116399 822959765 /nfs/dbraw/zinc/95/97/65/822959765.db2.gz WNUMQGCGYZQJPO-HXUWFJFHSA-N 1 0 392.396 4.123 20 0 GIADRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)N1Cc2ccc(Cl)cc2C1 ZINC000458116616 822959783 /nfs/dbraw/zinc/95/97/83/822959783.db2.gz XFHKYTDMPBRPOP-OAHLLOKOSA-N 1 0 389.952 4.339 20 0 GIADRO C[C@@]1(NC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)C[C@H]1c1ccccc1 ZINC000458115811 822959814 /nfs/dbraw/zinc/95/98/14/822959814.db2.gz VSQJROIBPQQWOG-RBDMOPTHSA-N 1 0 383.561 4.206 20 0 GIADRO Cc1oc(-c2ccsc2)nc1CC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000186821887 822961276 /nfs/dbraw/zinc/96/12/76/822961276.db2.gz OCECRKGYASTOBV-UHFFFAOYSA-N 1 0 389.565 4.415 20 0 GIADRO COc1cc(C)c(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1F ZINC000186822507 822961431 /nfs/dbraw/zinc/96/14/31/822961431.db2.gz NVITZQUZRHWVJS-KRWDZBQOSA-N 1 0 375.444 4.084 20 0 GIADRO Cc1cccc(CN(C)C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)n1 ZINC000458141595 822962217 /nfs/dbraw/zinc/96/22/17/822962217.db2.gz QWYAVCWDDFCWMA-UHFFFAOYSA-N 1 0 380.536 4.108 20 0 GIADRO COc1cc(C)c(NC(=O)N(CCCc2ccccc2)CC[NH+](C)C)cc1F ZINC000186826465 822962279 /nfs/dbraw/zinc/96/22/79/822962279.db2.gz DBIJMHALOQEWTB-UHFFFAOYSA-N 1 0 387.499 4.171 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)N[C@@H]2CCc3cc(F)c(F)c(F)c32)c1 ZINC000458147537 822962681 /nfs/dbraw/zinc/96/26/81/822962681.db2.gz OESXORUPAPKSKS-QGZVFWFLSA-N 1 0 391.437 4.042 20 0 GIADRO Cc1ccc(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)cc1NC(=O)Nc1ccccc1 ZINC000458156320 822963463 /nfs/dbraw/zinc/96/34/63/822963463.db2.gz BPSXSGXKMBDJLW-GOSISDBHSA-N 1 0 394.519 4.101 20 0 GIADRO C[N@@H+]1CCC[C@H](CCNC(=O)[C@@H]2CC=CC[C@@H]2c2nc3ccccc3s2)C1 ZINC000458157626 822963645 /nfs/dbraw/zinc/96/36/45/822963645.db2.gz CUGKYMNHWOODSO-KURKYZTESA-N 1 0 383.561 4.194 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc2ccccc2c(Cl)n1 ZINC000175415862 822963745 /nfs/dbraw/zinc/96/37/45/822963745.db2.gz ZQZVNEFHIPKXMV-SFHVURJKSA-N 1 0 393.918 4.482 20 0 GIADRO O=C(N[C@@H]1CCCc2cn(C3CCCC3)nc21)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000569755000 822964071 /nfs/dbraw/zinc/96/40/71/822964071.db2.gz AFVNHBABYMAILO-NHCUHLMSSA-N 1 0 399.583 4.036 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2F)C1)c1ccc(Br)cn1 ZINC000569758692 822964543 /nfs/dbraw/zinc/96/45/43/822964543.db2.gz LHSJZXYHPVYJEK-UKRRQHHQSA-N 1 0 378.289 4.303 20 0 GIADRO C[C@@H]([NH2+]C[C@H](c1ccccc1)C(F)(F)F)c1ccc(NS(C)(=O)=O)cc1 ZINC000186839325 822964964 /nfs/dbraw/zinc/96/49/64/822964964.db2.gz WNCVEIRJCVVLDH-CXAGYDPISA-N 1 0 386.439 4.055 20 0 GIADRO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCSC2(CCOCC2)C1 ZINC000186840018 822965308 /nfs/dbraw/zinc/96/53/08/822965308.db2.gz OIONNEGOKIYTNQ-DLBZAZTESA-N 1 0 376.566 4.125 20 0 GIADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@H](c1ccccc1)C(F)(F)F ZINC000186840317 822965431 /nfs/dbraw/zinc/96/54/31/822965431.db2.gz RUNUYZMTRNQJIJ-TZMCWYRMSA-N 1 0 385.817 4.388 20 0 GIADRO CCC(CC)(Cc1nc2ccccc2s1)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000458178822 822965691 /nfs/dbraw/zinc/96/56/91/822965691.db2.gz XBTYQRJNTRMKNI-QGZVFWFLSA-N 1 0 387.593 4.493 20 0 GIADRO c1ccc(-c2noc([C@@H](c3ccccc3)N3CCC([NH+]4CCCC4)CC3)n2)cc1 ZINC000175428252 822966184 /nfs/dbraw/zinc/96/61/84/822966184.db2.gz JHXBPTBXFMIWMU-JOCHJYFZSA-N 1 0 388.515 4.386 20 0 GIADRO Cc1ccc([C@H](CNC(=O)N2CCCC[C@@H]2c2cccn2C)[NH+]2CCCC2)o1 ZINC000175431807 822967121 /nfs/dbraw/zinc/96/71/21/822967121.db2.gz HGWUYVIIDUMEGO-UXHICEINSA-N 1 0 384.524 4.000 20 0 GIADRO Cc1c(C(=O)Nc2ccc(OCC[NH+](C)C)c(C)c2)cnn1C1CCCCC1 ZINC000458193619 822967180 /nfs/dbraw/zinc/96/71/80/822967180.db2.gz CWKYOJBEQJBBRQ-UHFFFAOYSA-N 1 0 384.524 4.198 20 0 GIADRO Cc1cc(NC(=O)c2ccc(Cl)c(N)c2Cl)ccc1OCC[NH+](C)C ZINC000458196437 822967410 /nfs/dbraw/zinc/96/74/10/822967410.db2.gz HBWVDEGLUWDQSN-UHFFFAOYSA-N 1 0 382.291 4.077 20 0 GIADRO COc1cc(C)c(NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)cc1F ZINC000186852903 822967806 /nfs/dbraw/zinc/96/78/06/822967806.db2.gz SZOQWJQSFSTSQK-UHFFFAOYSA-N 1 0 385.483 4.271 20 0 GIADRO CC(C)[C@@H]1N(C(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)CC12CCCCC2 ZINC000458200761 822967997 /nfs/dbraw/zinc/96/79/97/822967997.db2.gz WDTFFQGRNVAKSY-QHCPKHFHSA-N 1 0 398.591 4.322 20 0 GIADRO Fc1ccc(C2(C[NH2+]C3CCN(Cc4ccncc4)CC3)CCCC2)c(F)c1 ZINC000186859547 822969348 /nfs/dbraw/zinc/96/93/48/822969348.db2.gz AKXFKSQUGYKSND-UHFFFAOYSA-N 1 0 385.502 4.426 20 0 GIADRO Cc1cc(NC(=O)c2cccc([C@@H]3CCCOC3)c2)ccc1OCC[NH+](C)C ZINC000458214475 822969736 /nfs/dbraw/zinc/96/97/36/822969736.db2.gz OYBUIMOPINARCE-HXUWFJFHSA-N 1 0 382.504 4.082 20 0 GIADRO CS(=O)(=O)CCCCC[NH2+][C@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000186873053 822972426 /nfs/dbraw/zinc/97/24/26/822972426.db2.gz HPUGDEDLZYXZQL-INIZCTEOSA-N 1 0 396.553 4.131 20 0 GIADRO COc1ccc([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CCC[C@H](N3CCCC3=O)C2)cc1F ZINC000569825027 822973180 /nfs/dbraw/zinc/97/31/80/822973180.db2.gz GRXMRZCGYNBKHU-IWFBPKFRSA-N 1 0 388.527 4.384 20 0 GIADRO CCn1cc([C@H]2OCCC[C@@H]2[NH2+][C@@H]2CCc3c2cccc3Br)cn1 ZINC000569830373 822973712 /nfs/dbraw/zinc/97/37/12/822973712.db2.gz BNSBOMFKFNUQML-CEXWTWQISA-N 1 0 390.325 4.163 20 0 GIADRO COc1ccc(C(=O)CCCCC(=O)Nc2ccc(C[NH+](C)C)c(C)c2)cc1 ZINC000458254661 822974271 /nfs/dbraw/zinc/97/42/71/822974271.db2.gz ABYWQHRMZCXGBJ-UHFFFAOYSA-N 1 0 382.504 4.447 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CC2(CCOC)CCCCC2)cc1 ZINC000186887503 822975012 /nfs/dbraw/zinc/97/50/12/822975012.db2.gz CZMRWUODYUXEMK-KRWDZBQOSA-N 1 0 382.570 4.086 20 0 GIADRO Cc1cc(NC(=O)c2ccc(NC(=O)N(C)C)cc2Cl)ccc1C[NH+](C)C ZINC000458263109 822975317 /nfs/dbraw/zinc/97/53/17/822975317.db2.gz AHZRWKNUSVAYFP-UHFFFAOYSA-N 1 0 388.899 4.056 20 0 GIADRO COc1cc(C[NH2+][C@@H]2CCC[C@H](SC)C2)cc(OC)c1OCC(F)F ZINC000569847051 822975653 /nfs/dbraw/zinc/97/56/53/822975653.db2.gz VLGLJUOQZQABQO-KGLIPLIRSA-N 1 0 375.481 4.112 20 0 GIADRO Cc1nc2ccccc2c(C)c1C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000458267231 822975740 /nfs/dbraw/zinc/97/57/40/822975740.db2.gz CYEVHZWHZYHFQU-UHFFFAOYSA-N 1 0 381.451 4.183 20 0 GIADRO CC(C)c1[nH+]c(CN[C@@H](C)c2nc(-c3cccc(F)c3)no2)c2ccccn21 ZINC000569854444 822976106 /nfs/dbraw/zinc/97/61/06/822976106.db2.gz SEDIVQRBQMZYIJ-AWEZNQCLSA-N 1 0 379.439 4.498 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1)C(=O)NC(=O)Nc1ccccc1F ZINC000569859378 822977118 /nfs/dbraw/zinc/97/71/18/822977118.db2.gz DUMADVOWHHMJRC-NWDGAFQWSA-N 1 0 397.372 4.232 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)CSc1ccc(F)cc1 ZINC000055553037 822977588 /nfs/dbraw/zinc/97/75/88/822977588.db2.gz YNBWFCIDGJQNFN-UHFFFAOYSA-N 1 0 376.497 4.277 20 0 GIADRO Cc1cc(NC(=O)c2ccccc2COC2CCOCC2)ccc1C[NH+](C)C ZINC000458284672 822978171 /nfs/dbraw/zinc/97/81/71/822978171.db2.gz MZZKQOOCDFCCKO-UHFFFAOYSA-N 1 0 382.504 4.005 20 0 GIADRO COc1ccc(C[NH2+][C@@H](C)c2cc(Br)cc(C)c2O)cc1OC ZINC000186911644 822978541 /nfs/dbraw/zinc/97/85/41/822978541.db2.gz UFMPPSLUZRAKTH-LBPRGKRZSA-N 1 0 380.282 4.331 20 0 GIADRO Cc1cc(-c2noc(CCC(=O)Nc3ccc(C[NH+](C)C)c(C)c3)n2)ccc1F ZINC000458290836 822979009 /nfs/dbraw/zinc/97/90/09/822979009.db2.gz SHNSTOJMKICURR-UHFFFAOYSA-N 1 0 396.466 4.125 20 0 GIADRO C[C@@H]([NH2+]C[C@H](c1ccco1)N1CCCC1)c1ncc(Br)cc1F ZINC000186914921 822979457 /nfs/dbraw/zinc/97/94/57/822979457.db2.gz GIGSFMDUCHXLHC-IUODEOHRSA-N 1 0 382.277 4.064 20 0 GIADRO Cc1c(C(=O)Nc2ccc(OCC[NH+](C)C)c(F)c2)cnn1C1CCCCC1 ZINC000458295979 822980041 /nfs/dbraw/zinc/98/00/41/822980041.db2.gz QNHCTVZOANVYPF-UHFFFAOYSA-N 1 0 388.487 4.029 20 0 GIADRO CC1(C2CC2)CC[NH+](CC(=O)NCc2cccc(COCc3ccco3)c2)CC1 ZINC000569891830 822981543 /nfs/dbraw/zinc/98/15/43/822981543.db2.gz QWEGBVUAQXGDGO-UHFFFAOYSA-N 1 0 396.531 4.125 20 0 GIADRO CC(C)NC(=O)Nc1ccc(C[NH2+][C@@H](C)c2ccc(Br)cn2)cc1 ZINC000569900342 822983209 /nfs/dbraw/zinc/98/32/09/822983209.db2.gz MCOAGWSGMHCOEH-ZDUSSCGKSA-N 1 0 391.313 4.225 20 0 GIADRO CN(Cc1ncc(-c2ccccc2Br)o1)CC1([NH+](C)C)CCC1 ZINC000186942442 822984276 /nfs/dbraw/zinc/98/42/76/822984276.db2.gz FLRCSSACYRMBFL-UHFFFAOYSA-N 1 0 378.314 4.020 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)N2CC[C@]3(C2)OCc2ccccc23)cc1)C(C)C ZINC000186949370 822985070 /nfs/dbraw/zinc/98/50/70/822985070.db2.gz VMFPILFVJSLODP-XMMPIXPASA-N 1 0 378.516 4.189 20 0 GIADRO O=C(c1cccc(Oc2cccc(C(F)(F)F)c2)c1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000569928208 822986904 /nfs/dbraw/zinc/98/69/04/822986904.db2.gz DILNQOMYKYZDPC-JKSUJKDBSA-N 1 0 390.405 4.179 20 0 GIADRO CCC(CC)(CNC(=O)NCc1cnc(C2CC2)o1)[NH2+][C@H](C)c1ccccc1 ZINC000458363582 822987298 /nfs/dbraw/zinc/98/72/98/822987298.db2.gz DKMHHGQWDMKVIQ-MRXNPFEDSA-N 1 0 384.524 4.261 20 0 GIADRO Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000175511944 822987604 /nfs/dbraw/zinc/98/76/04/822987604.db2.gz RKCWFGOGQPJFAQ-IBGZPJMESA-N 1 0 394.563 4.241 20 0 GIADRO CC(C)n1cnnc1-c1ccccc1NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000175514602 822988267 /nfs/dbraw/zinc/98/82/67/822988267.db2.gz MWAMVZNVFXIKMH-UHFFFAOYSA-N 1 0 389.503 4.374 20 0 GIADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N1CC[C@@](F)(c2ccccc2)C1 ZINC000569945321 822988557 /nfs/dbraw/zinc/98/85/57/822988557.db2.gz VMZFNSJIQAHRIO-RXVVDRJESA-N 1 0 387.524 4.165 20 0 GIADRO C[C@H](NCCC[N@@H+]1CCc2ccccc2C1)c1ncc(Br)cc1F ZINC000186965303 822988592 /nfs/dbraw/zinc/98/85/92/822988592.db2.gz PFAMORNIUDQIHG-AWEZNQCLSA-N 1 0 392.316 4.082 20 0 GIADRO COc1ccccc1C(C)(C)C(=O)NC[C@H](c1ccc(SC)cc1)[NH+](C)C ZINC000569960297 822990161 /nfs/dbraw/zinc/99/01/61/822990161.db2.gz KPMJPDVIRJRLKG-LJQANCHMSA-N 1 0 386.561 4.114 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[C@H](CSc2ccccc2)C1 ZINC000175524901 822990741 /nfs/dbraw/zinc/99/07/41/822990741.db2.gz FEMJJFNOPYLKOH-PMACEKPBSA-N 1 0 389.609 4.465 20 0 GIADRO c1c(C[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000569972489 822991561 /nfs/dbraw/zinc/99/15/61/822991561.db2.gz YXYAUEHIXPGLGU-REWPJTCUSA-N 1 0 388.515 4.325 20 0 GIADRO CCOC(=O)[C@]1(CCS[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCCC1=O ZINC000569971046 822991594 /nfs/dbraw/zinc/99/15/94/822991594.db2.gz CHYKBMCYPBJIRF-UGKGYDQZSA-N 1 0 389.561 4.077 20 0 GIADRO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC000175529222 822991663 /nfs/dbraw/zinc/99/16/63/822991663.db2.gz LIUSLCODQFKLNV-JOCHJYFZSA-N 1 0 388.515 4.355 20 0 GIADRO O=C(Cc1ccccc1)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000175531318 822991892 /nfs/dbraw/zinc/99/18/92/822991892.db2.gz YEUMPQWMQGVSAL-HXUWFJFHSA-N 1 0 390.449 4.142 20 0 GIADRO C[C@@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000175537508 822993236 /nfs/dbraw/zinc/99/32/36/822993236.db2.gz GYFPQJZNLQTEHI-CQSZACIVSA-N 1 0 383.458 4.473 20 0 GIADRO Cc1cccnc1[C@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(C)C ZINC000175542467 822993885 /nfs/dbraw/zinc/99/38/85/822993885.db2.gz LQLXTDVPRQUSIX-BAGYTPMASA-N 1 0 394.563 4.439 20 0 GIADRO C[C@@H]([NH2+]CC1(c2ccccc2)CCOCC1)c1ncc(Br)cc1F ZINC000186997363 822994370 /nfs/dbraw/zinc/99/43/70/822994370.db2.gz YNYZPSHLNOZYEH-CQSZACIVSA-N 1 0 393.300 4.382 20 0 GIADRO COCCOc1ccc(C[NH2+][C@@H](C)c2cc(Br)cc(C)c2O)cc1 ZINC000186998845 822994637 /nfs/dbraw/zinc/99/46/37/822994637.db2.gz KRNSBZUGNNZOCT-AWEZNQCLSA-N 1 0 394.309 4.339 20 0 GIADRO O=C(NCCCCC[NH+]1CCCCC1)N1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000175561164 822997844 /nfs/dbraw/zinc/99/78/44/822997844.db2.gz FVDIGXKPWTZIGG-RTBURBONSA-N 1 0 393.597 4.002 20 0 GIADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCC(c3ccsc3)CC2)CC1 ZINC000187022215 822999072 /nfs/dbraw/zinc/99/90/72/822999072.db2.gz TUXISLYEWGQQKO-KRWDZBQOSA-N 1 0 398.576 4.258 20 0 GIADRO Clc1ccccc1-c1csc(CN2CCC[C@@H](C[NH+]3CCOCC3)C2)n1 ZINC000187024931 822999787 /nfs/dbraw/zinc/99/97/87/822999787.db2.gz COFHNQMWWGTTTM-INIZCTEOSA-N 1 0 391.968 4.008 20 0 GIADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)Nc1ccc(N(C)Cc2ccccc2)cc1 ZINC000175574384 823000630 /nfs/dbraw/zinc/00/06/30/823000630.db2.gz YYCYEZFSKGATGL-HSZRJFAPSA-N 1 0 395.547 4.055 20 0 GIADRO C[C@H]([NH2+][C@@H](C)C1CCS(=O)(=O)CC1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000187031517 823000938 /nfs/dbraw/zinc/00/09/38/823000938.db2.gz FKWGHCDYHCJFFZ-HOTGVXAUSA-N 1 0 391.508 4.482 20 0 GIADRO Cc1[nH]c2ccc(C(=O)NC[C@@H]3C[NH2+]CC[C@@H]3c3ccc(F)cc3)cc2c1C ZINC000570054430 823001424 /nfs/dbraw/zinc/00/14/24/823001424.db2.gz FEHWXGBXKGTUTH-AZUAARDMSA-N 1 0 379.479 4.047 20 0 GIADRO Cc1ccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c(OCC(F)(F)F)c1 ZINC000175587911 823002986 /nfs/dbraw/zinc/00/29/86/823002986.db2.gz WWEZLEOFDZSTJA-GOOCMWNKSA-N 1 0 385.430 4.073 20 0 GIADRO C[C@H](Cc1cnn(C)c1)[NH2+][C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000570076752 823003658 /nfs/dbraw/zinc/00/36/58/823003658.db2.gz HOJXNPCZGWUWCB-KZULUSFZSA-N 1 0 387.325 4.262 20 0 GIADRO Cc1cc(=O)[nH]c2cc(C(=O)NC[C@H]3CCC[N@@H+]3CC3CCCCC3)ccc12 ZINC000570075633 823003712 /nfs/dbraw/zinc/00/37/12/823003712.db2.gz IAPBNHIEWYALTJ-LJQANCHMSA-N 1 0 381.520 4.023 20 0 GIADRO C[C@@H](Cc1cnn(C)c1)[NH2+][C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000570076753 823003721 /nfs/dbraw/zinc/00/37/21/823003721.db2.gz HOJXNPCZGWUWCB-SGTLLEGYSA-N 1 0 387.325 4.262 20 0 GIADRO C[C@@H]([NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1)c1ncc(Br)cc1F ZINC000187057341 823004804 /nfs/dbraw/zinc/00/48/04/823004804.db2.gz JTGUGGFEONSIDP-CHWSQXEVSA-N 1 0 396.279 4.299 20 0 GIADRO O=C(c1ccc(Oc2ccc(F)cc2F)cc1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000570088598 823004826 /nfs/dbraw/zinc/00/48/26/823004826.db2.gz HLNUMGITMWJQCK-SJORKVTESA-N 1 0 386.442 4.219 20 0 GIADRO COc1cc(F)c(F)cc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000570090715 823004886 /nfs/dbraw/zinc/00/48/86/823004886.db2.gz WYGARHMSAPQOSU-KDOFPFPSSA-N 1 0 389.446 4.006 20 0 GIADRO CCc1nc(C)c([C@H](C)[N@H+](C)C[C@@H](O)CO[C@H]2CCCc3ccccc32)s1 ZINC000570094509 823005204 /nfs/dbraw/zinc/00/52/04/823005204.db2.gz CIKUJXCEZALOQN-HQRMLTQVSA-N 1 0 388.577 4.462 20 0 GIADRO CC(C)(C)OC(=O)CC[N@H+](Cc1cccc(-c2ccncc2)c1)C1CCOCC1 ZINC000570093053 823005256 /nfs/dbraw/zinc/00/52/56/823005256.db2.gz HLZHZHZLRROZJH-UHFFFAOYSA-N 1 0 396.531 4.461 20 0 GIADRO C[C@@H]([NH2+][C@@H](c1cc2ccccc2o1)c1ccccc1)C1CCS(=O)(=O)CC1 ZINC000187085641 823008546 /nfs/dbraw/zinc/00/85/46/823008546.db2.gz UZEUHAQBHXRRLU-OPAMFIHVSA-N 1 0 383.513 4.325 20 0 GIADRO COc1ccccc1[C@H](CC(C)C)NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000175627029 823009248 /nfs/dbraw/zinc/00/92/48/823009248.db2.gz WZHJYPNLSNXTQX-FPOVZHCZSA-N 1 0 387.568 4.442 20 0 GIADRO C[C@H]([NH2+][C@H](c1ccsc1)c1ccc(Cl)cc1)C1CCS(=O)(=O)CC1 ZINC000187091416 823009619 /nfs/dbraw/zinc/00/96/19/823009619.db2.gz URMVUJXLCGTULG-UGSOOPFHSA-N 1 0 383.966 4.294 20 0 GIADRO C[C@@H]([NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccc1)C1CCS(=O)(=O)CC1 ZINC000187093064 823009698 /nfs/dbraw/zinc/00/96/98/823009698.db2.gz UBEHDMPCRZNKHF-IIBYNOLFSA-N 1 0 391.964 4.427 20 0 GIADRO Cc1nc(C)c([C@H](C)N(C)C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)s1 ZINC000175631140 823009792 /nfs/dbraw/zinc/00/97/92/823009792.db2.gz ZPVVVPNIFXTPJL-RDJZCZTQSA-N 1 0 388.581 4.373 20 0 GIADRO C[N@@H+]1CCCN(c2ccc(NC(=O)c3cccc(C(F)(F)F)c3F)cc2)CC1 ZINC000175632650 823010079 /nfs/dbraw/zinc/01/00/79/823010079.db2.gz JBVAMDSFQMBEQI-UHFFFAOYSA-N 1 0 395.400 4.239 20 0 GIADRO C[C@@H](c1cccc(O)c1)N(C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000175633724 823010162 /nfs/dbraw/zinc/01/01/62/823010162.db2.gz GEIQJSFKUNAWKR-LVCYWYKZSA-N 1 0 381.520 4.148 20 0 GIADRO C[C@@H](NC(=O)N1CCC(CC[NH+](C)C)CC1)c1cccc(OC(F)(F)F)c1 ZINC000175637765 823010881 /nfs/dbraw/zinc/01/08/81/823010881.db2.gz GQWYFLQEQDYVBJ-CQSZACIVSA-N 1 0 387.446 4.020 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)N(Cc2cccs2)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000175638188 823011048 /nfs/dbraw/zinc/01/10/48/823011048.db2.gz DIHHDAKWVNFOJU-MJGOQNOKSA-N 1 0 383.561 4.475 20 0 GIADRO c1c(C[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)c(-c2ccccn2)nn1C1CCCC1 ZINC000570162486 823011403 /nfs/dbraw/zinc/01/14/03/823011403.db2.gz MSXZSDGFLBIUNW-PGRDOPGGSA-N 1 0 380.536 4.451 20 0 GIADRO C[NH2+]Cc1ccc(NC(=O)c2nc(C(C)C)n(-c3ccccc3Cl)n2)cc1 ZINC000570164028 823011557 /nfs/dbraw/zinc/01/15/57/823011557.db2.gz LFVRFOYZFKFMCL-UHFFFAOYSA-N 1 0 383.883 4.016 20 0 GIADRO COc1cc(NC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)ccc1F ZINC000187108175 823011556 /nfs/dbraw/zinc/01/15/56/823011556.db2.gz UJNMOCBEGLLNDC-LPHOPBHVSA-N 1 0 385.483 4.351 20 0 GIADRO CN1C(=O)CCc2cc(C[N@@H+]3CCCCC[C@H]3C[C@H](O)c3ccco3)ccc21 ZINC000187108797 823011691 /nfs/dbraw/zinc/01/16/91/823011691.db2.gz UDCHQYISNCEFHF-FPOVZHCZSA-N 1 0 382.504 4.057 20 0 GIADRO C[C@H](NC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)c1cncc(F)c1 ZINC000570173100 823012327 /nfs/dbraw/zinc/01/23/27/823012327.db2.gz VIIJNIOSPZGTCV-KRWDZBQOSA-N 1 0 384.499 4.157 20 0 GIADRO COc1ccc2nc(C[N@H+](C)C3CCN(C(=O)OC(C)(C)C)CC3)sc2c1 ZINC000187118877 823013420 /nfs/dbraw/zinc/01/34/20/823013420.db2.gz HKJLIIISEMUVFO-UHFFFAOYSA-N 1 0 391.537 4.136 20 0 GIADRO C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000175654403 823013540 /nfs/dbraw/zinc/01/35/40/823013540.db2.gz DTXDHLBLRNYIOA-OPAMFIHVSA-N 1 0 399.510 4.348 20 0 GIADRO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)CCc1nc2cc(Cl)ccc2s1 ZINC000570188696 823013643 /nfs/dbraw/zinc/01/36/43/823013643.db2.gz MEJUQWOWMIBWJI-OAHLLOKOSA-N 1 0 379.957 4.215 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH2+]Cc1cccc(N2CCCC2=O)c1 ZINC000187122802 823013906 /nfs/dbraw/zinc/01/39/06/823013906.db2.gz JULXYOXNQAAFSM-UHFFFAOYSA-N 1 0 387.483 4.174 20 0 GIADRO CCC[C@H](NC(=O)[C@@H](C)N1CC[NH+](C2CCC(C)CC2)CC1)c1ccccc1 ZINC000570193505 823013958 /nfs/dbraw/zinc/01/39/58/823013958.db2.gz SEFIMTLGIBVRAZ-NQOUVNBVSA-N 1 0 385.596 4.229 20 0 GIADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 ZINC000175659476 823014758 /nfs/dbraw/zinc/01/47/58/823014758.db2.gz NGTIZEYFYIQNDW-HXUWFJFHSA-N 1 0 394.943 4.393 20 0 GIADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CCc1ccc(Cl)s1 ZINC000187128675 823014862 /nfs/dbraw/zinc/01/48/62/823014862.db2.gz UOJZTYFEZBWNOE-UHFFFAOYSA-N 1 0 378.346 4.181 20 0 GIADRO O[C@H](C[NH2+][C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)Cc1ccc2ccccc2c1 ZINC000570202811 823014912 /nfs/dbraw/zinc/01/49/12/823014912.db2.gz RTLICPPOQAWJII-TZRRMPRUSA-N 1 0 379.475 4.392 20 0 GIADRO O[C@H](C[NH2+][C@@H]1CCO[C@H](c2ccc(F)cc2)C1)Cc1ccc2ccccc2c1 ZINC000570202808 823015016 /nfs/dbraw/zinc/01/50/16/823015016.db2.gz RTLICPPOQAWJII-SGNDLWITSA-N 1 0 379.475 4.392 20 0 GIADRO Cc1ccncc1CCC[NH2+][C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000570203428 823015082 /nfs/dbraw/zinc/01/50/82/823015082.db2.gz HGTFRDVVOCCEJW-KRWDZBQOSA-N 1 0 378.303 4.025 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1cccc(N2CCCC2)c1)C1CCSCC1 ZINC000187138899 823016565 /nfs/dbraw/zinc/01/65/65/823016565.db2.gz AUKBNQOKVDQNQZ-DLBZAZTESA-N 1 0 375.582 4.125 20 0 GIADRO CC(C)[C@H]([NH2+][C@H](C)C1CCS(=O)(=O)CC1)c1cccc(C(F)(F)F)c1 ZINC000187141127 823016885 /nfs/dbraw/zinc/01/68/85/823016885.db2.gz SAHUQFFHFOAVSJ-DYVFJYSZSA-N 1 0 377.472 4.205 20 0 GIADRO COc1ccc(COCCC[NH2+][C@H](C)c2ncc(Br)cc2F)cc1 ZINC000187147806 823017642 /nfs/dbraw/zinc/01/76/42/823017642.db2.gz VWGBYXNNIPAKCQ-CYBMUJFWSA-N 1 0 397.288 4.249 20 0 GIADRO CCc1ccc(-c2ccc(C(=O)NC3CC[NH+](Cc4cccnc4)CC3)o2)cc1 ZINC000175674921 823017812 /nfs/dbraw/zinc/01/78/12/823017812.db2.gz MIUCRCFMQDVINR-UHFFFAOYSA-N 1 0 389.499 4.298 20 0 GIADRO CC(C)Oc1ccc([C@H](C[NH2+]Cc2cn(C)nc2-c2ccccc2)N(C)C)cc1 ZINC000570241158 823017873 /nfs/dbraw/zinc/01/78/73/823017873.db2.gz KMXBIMUCMPIYBL-QHCPKHFHSA-N 1 0 392.547 4.267 20 0 GIADRO COc1ncccc1CC[NH2+][C@H](C)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000570250316 823019154 /nfs/dbraw/zinc/01/91/54/823019154.db2.gz DKCCXAOCCFIORZ-VQIMIIECSA-N 1 0 388.483 4.071 20 0 GIADRO CCC[C@@]1(CO)CC[N@H+](Cc2ccc(OCc3ccc(F)cc3)c(OC)c2)C1 ZINC000570248671 823019172 /nfs/dbraw/zinc/01/91/72/823019172.db2.gz ORALHRBBLFCBHG-HSZRJFAPSA-N 1 0 387.495 4.398 20 0 GIADRO C[C@@H](C[NH2+]Cc1cc(O)cc(C(F)(F)F)c1)c1nc(-c2ccccc2)no1 ZINC000570249727 823019234 /nfs/dbraw/zinc/01/92/34/823019234.db2.gz CKRSTAQWTYRYMI-LBPRGKRZSA-N 1 0 377.366 4.354 20 0 GIADRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000187162577 823019494 /nfs/dbraw/zinc/01/94/94/823019494.db2.gz WCESVLPFIKERKC-LLVKDONJSA-N 1 0 395.253 4.231 20 0 GIADRO CC[C@@H]([NH2+][C@@H]1CCN(c2ncccc2F)C1)c1cccc(Br)c1 ZINC000570260216 823020485 /nfs/dbraw/zinc/02/04/85/823020485.db2.gz NCNSSHCVXQRTRZ-NVXWUHKLSA-N 1 0 378.289 4.303 20 0 GIADRO Cc1cc(C(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)ccc1NC(=O)CC(C)C ZINC000187176908 823021146 /nfs/dbraw/zinc/02/11/46/823021146.db2.gz MIYPFGXUWJOIHA-WZONZLPQSA-N 1 0 395.547 4.401 20 0 GIADRO CC[C@H](Oc1ccccc1F)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000175691795 823021573 /nfs/dbraw/zinc/02/15/73/823021573.db2.gz PJYIPNKWRFQKMA-UTKZUKDTSA-N 1 0 384.495 4.325 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000570275852 823021824 /nfs/dbraw/zinc/02/18/24/823021824.db2.gz QAGMWDRBPNZAHE-UEVCKROQSA-N 1 0 399.579 4.162 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCC[C@H]1[C@@H]1CCCOC1 ZINC000570275851 823021926 /nfs/dbraw/zinc/02/19/26/823021926.db2.gz QAGMWDRBPNZAHE-PTUXOGIPSA-N 1 0 399.579 4.162 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)[C@H]3CC[C@@H](C(F)(F)F)C3)C2)s1 ZINC000570286417 823022402 /nfs/dbraw/zinc/02/24/02/823022402.db2.gz SYSDYDIKRJTWQR-OWCLPIDISA-N 1 0 388.499 4.315 20 0 GIADRO Cc1cc(=O)[nH]c2cc(C(=O)Nc3cccc(C[NH+]4CCCCC4)c3)ccc12 ZINC000570288394 823022588 /nfs/dbraw/zinc/02/25/88/823022588.db2.gz FBUSFMWDCXXOHU-UHFFFAOYSA-N 1 0 375.472 4.487 20 0 GIADRO Cc1ccc(OCCCC(=O)Nc2ccc(C[NH2+]Cc3cc[nH]c3)cc2)cc1 ZINC000175698216 823022840 /nfs/dbraw/zinc/02/28/40/823022840.db2.gz VGYUZHMLSWDOFK-UHFFFAOYSA-N 1 0 377.488 4.411 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)CCc2nc3ccccc3s2)CC1 ZINC000175699965 823023095 /nfs/dbraw/zinc/02/30/95/823023095.db2.gz MWSRJGXHZIUZKG-UHFFFAOYSA-N 1 0 393.556 4.352 20 0 GIADRO CN(CCCc1nc2ccccc2[nH]1)C(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000175701889 823023381 /nfs/dbraw/zinc/02/33/81/823023381.db2.gz XBKPWGTXOSDGOJ-UHFFFAOYSA-N 1 0 390.487 4.076 20 0 GIADRO Cc1ccc(C[N@@H+]2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)c(C)n1 ZINC000187195695 823023514 /nfs/dbraw/zinc/02/35/14/823023514.db2.gz WFLFBPJCWBMIFX-INIZCTEOSA-N 1 0 389.425 4.140 20 0 GIADRO C/C=C\c1ccc(OC[C@@H](O)C[NH2+]Cc2cc3ccccc3s2)c(OC)c1 ZINC000570303401 823024068 /nfs/dbraw/zinc/02/40/68/823024068.db2.gz WILHNJKEKLMKEC-CJISVDGZSA-N 1 0 383.513 4.473 20 0 GIADRO CSc1ccc([C@@H](CNC(=O)c2ccc(Cl)c(N)c2Cl)[NH+](C)C)cc1 ZINC000570311396 823024542 /nfs/dbraw/zinc/02/45/42/823024542.db2.gz SYVUSDOJLQIEAV-OAHLLOKOSA-N 1 0 398.359 4.330 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH2+]CCc1cc(F)cc2c1OCOC2 ZINC000187204057 823024623 /nfs/dbraw/zinc/02/46/23/823024623.db2.gz FPHPUWVXWCRRFB-UHFFFAOYSA-N 1 0 394.446 4.095 20 0 GIADRO C[C@@H]1CC[N@H+](Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C[C@H]1n1ccnc1 ZINC000570318288 823025362 /nfs/dbraw/zinc/02/53/62/823025362.db2.gz FZYBPEWNMNEVOF-DNVCBOLYSA-N 1 0 389.425 4.171 20 0 GIADRO O=C(Nc1cccc2c1CC[NH2+]C2)c1cccc(NC(=O)C2CCCCC2)c1 ZINC000570321937 823025676 /nfs/dbraw/zinc/02/56/76/823025676.db2.gz LINFRKAJXNHCPZ-UHFFFAOYSA-N 1 0 377.488 4.103 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1ccc(C)cc1-c1ccnn1C ZINC000570346763 823027506 /nfs/dbraw/zinc/02/75/06/823027506.db2.gz QPRRVBYXERZZGN-UHFFFAOYSA-N 1 0 390.531 4.119 20 0 GIADRO CCC(=O)Nc1ccc(NC(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)cc1 ZINC000175726073 823027725 /nfs/dbraw/zinc/02/77/25/823027725.db2.gz QAFONNAFFCBWSN-KRWDZBQOSA-N 1 0 382.508 4.067 20 0 GIADRO C[C@H](NC(=O)CCCc1ncc(-c2ccccc2)o1)[C@H](c1ccccc1)[NH+](C)C ZINC000187228121 823027807 /nfs/dbraw/zinc/02/78/07/823027807.db2.gz QANLGNHWJRGSME-MHECFPHRSA-N 1 0 391.515 4.472 20 0 GIADRO Cc1nc(CCC(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)oc1-c1ccccc1 ZINC000187229551 823027942 /nfs/dbraw/zinc/02/79/42/823027942.db2.gz TWZTUSOIWPMGQC-SBUREZEXSA-N 1 0 391.515 4.390 20 0 GIADRO O=C(N[C@H](c1ccccc1)C1CC1)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000570353119 823028125 /nfs/dbraw/zinc/02/81/25/823028125.db2.gz RFEPFBKIDIFGEP-NOZRDPDXSA-N 1 0 389.543 4.445 20 0 GIADRO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](CCO)c2ccccc2)c1O ZINC000187235017 823028713 /nfs/dbraw/zinc/02/87/13/823028713.db2.gz NXKYTWRGWMEHOH-GDBMZVCRSA-N 1 0 378.310 4.280 20 0 GIADRO C[C@@H](NC(=O)c1ccc(F)cc1Br)[C@H](c1ccccc1)[NH+](C)C ZINC000187237671 823029071 /nfs/dbraw/zinc/02/90/71/823029071.db2.gz RLBKPLLUCVBMEA-SJKOYZFVSA-N 1 0 379.273 4.009 20 0 GIADRO C[C@H](NC(=O)Cc1csc(Cc2ccccc2)n1)[C@@H](c1ccccc1)[NH+](C)C ZINC000187241931 823029316 /nfs/dbraw/zinc/02/93/16/823029316.db2.gz VXKMJDWIYXNELQ-SBUREZEXSA-N 1 0 393.556 4.084 20 0 GIADRO CCN(c1ccccc1)c1ccc(C[NH2+][C@@H](C)C2CCS(=O)(=O)CC2)cc1 ZINC000187255314 823031329 /nfs/dbraw/zinc/03/13/29/823031329.db2.gz QFQXDHCBULPKGF-SFHVURJKSA-N 1 0 386.561 4.148 20 0 GIADRO C[C@H]([NH2+][C@H]1CCN(C)[C@H]1c1ccccc1)C(=O)Nc1cccc(Cl)c1Cl ZINC000570384071 823031918 /nfs/dbraw/zinc/03/19/18/823031918.db2.gz XIWGWPAIMUMKKD-IXDGSTSKSA-N 1 0 392.330 4.355 20 0 GIADRO CCCCc1oc2ccccc2c1CN(C)C(=O)[C@]1([NH3+])C[C@@H](OCC)C1(C)C ZINC000187260985 823032167 /nfs/dbraw/zinc/03/21/67/823032167.db2.gz OJVFHJXVCACEHW-NFBKMPQASA-N 1 0 386.536 4.266 20 0 GIADRO Cc1nn(C)c2nc(-c3ccccc3)cc(-c3nc([C@@H]([NH3+])CC(C)C)no3)c12 ZINC000570395207 823032894 /nfs/dbraw/zinc/03/28/94/823032894.db2.gz HETQVEFHFQYICB-INIZCTEOSA-N 1 0 376.464 4.040 20 0 GIADRO CCO[C@@H]1CCN(C(=O)NCC(CC)(CC)[NH2+][C@H](C)c2ccccc2)C[C@H]1C ZINC000458374731 823033792 /nfs/dbraw/zinc/03/37/92/823033792.db2.gz OXAZYHPTKSNINY-SFHLNBCPSA-N 1 0 389.584 4.353 20 0 GIADRO CCC(CC)(CNC(=O)N1CC[C@H](O)CC(C)(C)C1)[NH2+][C@H](C)c1ccccc1 ZINC000458377169 823034336 /nfs/dbraw/zinc/03/43/36/823034336.db2.gz QXRZQGIRPVUKPV-QUCCMNQESA-N 1 0 389.584 4.089 20 0 GIADRO CCO[C@@H](CC[NH2+]Cc1cccc(Cl)c1S(=O)(=O)CC)C1CCCC1 ZINC000187278121 823035791 /nfs/dbraw/zinc/03/57/91/823035791.db2.gz FFFFHCSKFWWNMM-SFHVURJKSA-N 1 0 387.973 4.209 20 0 GIADRO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1cc(C2CC2)nc2ccc(OC)cc21 ZINC000570423655 823036037 /nfs/dbraw/zinc/03/60/37/823036037.db2.gz PBJQFGPHEYFQTC-QGZVFWFLSA-N 1 0 381.520 4.067 20 0 GIADRO Cc1c2ccccc2oc1CNC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458395520 823036307 /nfs/dbraw/zinc/03/63/07/823036307.db2.gz NOQMQSIBIFDCBI-UHFFFAOYSA-N 1 0 397.441 4.299 20 0 GIADRO C[C@H](CCCc1cccnc1)NC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000458396208 823036342 /nfs/dbraw/zinc/03/63/42/823036342.db2.gz CWZWOGZIOQQRDS-UXHICEINSA-N 1 0 394.563 4.318 20 0 GIADRO CCSCC[C@H](C)N(C)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000175770771 823036429 /nfs/dbraw/zinc/03/64/29/823036429.db2.gz YAMBCUWBXNQNPR-KRWDZBQOSA-N 1 0 395.638 4.273 20 0 GIADRO C[C@@H]1Cc2ccccc2CN1C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000175771088 823036676 /nfs/dbraw/zinc/03/66/76/823036676.db2.gz CYYSPOFHNNXWTD-GOSISDBHSA-N 1 0 395.572 4.257 20 0 GIADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc(C2SCCS2)cc1 ZINC000055749305 823036699 /nfs/dbraw/zinc/03/66/99/823036699.db2.gz JFQLTTPWGMLPLC-OWCLPIDISA-N 1 0 378.607 4.261 20 0 GIADRO C[C@@H](Oc1ccccc1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(F)(F)F ZINC000570430627 823037229 /nfs/dbraw/zinc/03/72/29/823037229.db2.gz HGSJJBAXKGKCPH-FFHGMXDLSA-N 1 0 385.430 4.153 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)N2CC(C)(CC(F)(F)F)C2)[C@@H]1c1cccs1 ZINC000458414746 823037922 /nfs/dbraw/zinc/03/79/22/823037922.db2.gz CXUWXZVEZRGGQA-UKRRQHHQSA-N 1 0 389.487 4.115 20 0 GIADRO Cc1ccc([C@H](C)CNC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000458423314 823038686 /nfs/dbraw/zinc/03/86/86/823038686.db2.gz RHVMOCRPCKMCPW-MRXNPFEDSA-N 1 0 385.474 4.157 20 0 GIADRO CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)cc1 ZINC000570440518 823038821 /nfs/dbraw/zinc/03/88/21/823038821.db2.gz XBQPRSGEXQTHRN-RTWAWAEBSA-N 1 0 380.536 4.082 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)C1CCSCC1 ZINC000187299699 823039352 /nfs/dbraw/zinc/03/93/52/823039352.db2.gz MSGKEKHHGGFPBD-SMDDNHRTSA-N 1 0 393.906 4.454 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NC2CCC(C(F)F)CC2)CC1 ZINC000458431966 823039613 /nfs/dbraw/zinc/03/96/13/823039613.db2.gz YHHISEXLFBSPSW-ZLPCBKJTSA-N 1 0 379.495 4.335 20 0 GIADRO C[C@H]1CCCC[C@H]1CCNC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458439135 823040469 /nfs/dbraw/zinc/04/04/69/823040469.db2.gz ZXYPRDXFGXFXGC-HOTGVXAUSA-N 1 0 377.495 4.261 20 0 GIADRO C[C@@H]1CCCC[C@@H]1CCNC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458439136 823040529 /nfs/dbraw/zinc/04/05/29/823040529.db2.gz ZXYPRDXFGXFXGC-HZPDHXFCSA-N 1 0 377.495 4.261 20 0 GIADRO C[NH+](C)CCCC1CCN(C(=O)Nc2cc(-c3cccc(Cl)c3)on2)CC1 ZINC000570458674 823040794 /nfs/dbraw/zinc/04/07/94/823040794.db2.gz NGORWRQEVYTUDW-UHFFFAOYSA-N 1 0 390.915 4.003 20 0 GIADRO Oc1cccc(CN(Cc2coc(-c3ccc(F)cc3)n2)[C@H]2CC[C@H](O)CC2)c1 ZINC000570462594 823041146 /nfs/dbraw/zinc/04/11/46/823041146.db2.gz URNNXFFNRNGYRS-MEMLXQNLSA-N 1 0 396.462 4.492 20 0 GIADRO CCCN(CC[NH+]1CCCCCC1)C(=O)Nc1ccccc1-c1nncn1CC ZINC000570479610 823043778 /nfs/dbraw/zinc/04/37/78/823043778.db2.gz CHSQCOLVIAQBTC-UHFFFAOYSA-N 1 0 398.555 4.085 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)NCC1CCC(C(F)(F)F)CC1 ZINC000458466357 823044170 /nfs/dbraw/zinc/04/41/70/823044170.db2.gz CAKFDUOATJYVPQ-UHFFFAOYSA-N 1 0 391.503 4.190 20 0 GIADRO CCN(C(=O)c1cc(Br)c[nH]1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000060558717 823542112 /nfs/dbraw/zinc/54/21/12/823542112.db2.gz DMXCGPVHSFVNPV-RHSMWYFYSA-N 1 0 390.325 4.075 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)NCc1cccc2ccccc21 ZINC000060565316 823543036 /nfs/dbraw/zinc/54/30/36/823543036.db2.gz ZPIWZXPPVRGNMH-UHFFFAOYSA-N 1 0 397.469 4.391 20 0 GIADRO CCCCOc1c(Cl)cc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1OCC ZINC000060567811 823543231 /nfs/dbraw/zinc/54/32/31/823543231.db2.gz UNTFUDQWDNUIBR-ROUUACIJSA-N 1 0 394.943 4.274 20 0 GIADRO C[C@H](CNC(=O)C1(c2cccc(C(F)(F)F)c2)CCC1)[NH+]1CCC(C)CC1 ZINC000460927398 823544096 /nfs/dbraw/zinc/54/40/96/823544096.db2.gz SHTDKLANGOWXBD-MRXNPFEDSA-N 1 0 382.470 4.364 20 0 GIADRO COc1ccccc1/C=C(/C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000123833322 823544185 /nfs/dbraw/zinc/54/41/85/823544185.db2.gz HTXSRKFUGWKJCX-GNZNWCELSA-N 1 0 378.516 4.177 20 0 GIADRO C[C@H]([NH2+]CCOc1ccc(C(F)(F)F)cc1)c1cccc(N2CCOC2=O)c1 ZINC000177903081 823544166 /nfs/dbraw/zinc/54/41/66/823544166.db2.gz RITZDMVNBHXFOL-AWEZNQCLSA-N 1 0 394.393 4.392 20 0 GIADRO CC(C)C[C@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)c1ccccn1 ZINC000177907573 823544845 /nfs/dbraw/zinc/54/48/45/823544845.db2.gz WESJFAOXAIFPKF-KRWDZBQOSA-N 1 0 376.298 4.160 20 0 GIADRO Cc1cc(C(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)ccc1-n1cncn1 ZINC000460933992 823545539 /nfs/dbraw/zinc/54/55/39/823545539.db2.gz YLDFGPNUHIVBNP-UHFFFAOYSA-N 1 0 389.503 4.204 20 0 GIADRO COC1CCC(CC(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000123853694 823545794 /nfs/dbraw/zinc/54/57/94/823545794.db2.gz AZQJNDRYYBUVBS-QQLBRLPFSA-N 1 0 396.934 4.183 20 0 GIADRO O=C(c1cn2c(n1)CCCC2)N(CCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000411102978 823546416 /nfs/dbraw/zinc/54/64/16/823546416.db2.gz PHLNMDWCKSJUPE-UHFFFAOYSA-N 1 0 386.927 4.006 20 0 GIADRO O=C(Nc1ccc(F)cc1)NC1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000123859361 823546633 /nfs/dbraw/zinc/54/66/33/823546633.db2.gz RTCHOSQLUBBZIX-UHFFFAOYSA-N 1 0 378.451 4.160 20 0 GIADRO C[C@@H]([NH2+]CCCOCC(F)(F)F)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000177922644 823546745 /nfs/dbraw/zinc/54/67/45/823546745.db2.gz HWPOSXIBNNHJQL-CQSZACIVSA-N 1 0 393.471 4.023 20 0 GIADRO CC1CC[NH+](CCCNC(=O)N[C@H]2CCCc3cc(OC(F)F)ccc32)CC1 ZINC000060603523 823547194 /nfs/dbraw/zinc/54/71/94/823547194.db2.gz PICGOPUTXFFXQG-IBGZPJMESA-N 1 0 395.494 4.087 20 0 GIADRO CC(C)c1cc(C(=O)N(CCC[NH+]2CCCC2)c2ccc(Cl)cc2)n(C)n1 ZINC000411105864 823547265 /nfs/dbraw/zinc/54/72/65/823547265.db2.gz YOVWLJCQKDLVPI-UHFFFAOYSA-N 1 0 388.943 4.330 20 0 GIADRO C[C@H]1C[C@@H](N(C)CC(=O)Nc2ccccc2Sc2ccccc2)CC[N@@H+]1C ZINC000123867166 823547528 /nfs/dbraw/zinc/54/75/28/823547528.db2.gz AQURTBCAWUNAHE-ROUUACIJSA-N 1 0 383.561 4.191 20 0 GIADRO COCc1ccc(CNC(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)cc1 ZINC000060610092 823547604 /nfs/dbraw/zinc/54/76/04/823547604.db2.gz XZMYUEHPLZTJBP-HSZRJFAPSA-N 1 0 395.547 4.105 20 0 GIADRO O=C1Nc2ccccc2C12CCC([NH2+]CCCCOc1ccc(F)cc1)CC2 ZINC000177932385 823547738 /nfs/dbraw/zinc/54/77/38/823547738.db2.gz LMSTWCGRQHGXKY-UHFFFAOYSA-N 1 0 382.479 4.407 20 0 GIADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2ncoc2-c2ccccc2Cl)C1 ZINC000460950442 823549140 /nfs/dbraw/zinc/54/91/40/823549140.db2.gz PYYLLCLEXOLIBO-OAGGEKHMSA-N 1 0 387.911 4.472 20 0 GIADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2ccc(OCc3ccccn3)cc2)C1 ZINC000460954953 823549971 /nfs/dbraw/zinc/54/99/71/823549971.db2.gz YQPQLLLTNNZUNJ-XQBPLPMBSA-N 1 0 393.531 4.138 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(-c3ncco3)cc2F)CC1)c1ccc(F)cc1 ZINC000411150217 823551888 /nfs/dbraw/zinc/55/18/88/823551888.db2.gz ZBFNDCPGMDTZPY-UHFFFAOYSA-N 1 0 397.425 4.014 20 0 GIADRO Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000411149349 823551942 /nfs/dbraw/zinc/55/19/42/823551942.db2.gz QNUTZXJPDFKDQD-UHFFFAOYSA-N 1 0 393.531 4.000 20 0 GIADRO Cc1nn(C)c(C)c1CCNC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000123923629 823552019 /nfs/dbraw/zinc/55/20/19/823552019.db2.gz WMHLEGKTGLTGKD-UHFFFAOYSA-N 1 0 397.567 4.166 20 0 GIADRO CC(C)CC(=O)Nc1ccc(C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)cc1F ZINC000460965254 823552038 /nfs/dbraw/zinc/55/20/38/823552038.db2.gz YLAAOOJVIHLSPR-KSFYIVLOSA-N 1 0 391.531 4.051 20 0 GIADRO Cc1ncsc1CCC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000411157273 823552438 /nfs/dbraw/zinc/55/24/38/823552438.db2.gz QVEOXLSVRYPCAU-INIZCTEOSA-N 1 0 377.579 4.035 20 0 GIADRO CCSc1cc(Cl)ccc1C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000460969023 823552840 /nfs/dbraw/zinc/55/28/40/823552840.db2.gz JQUOBULBBQHVGM-UHFFFAOYSA-N 1 0 392.952 4.322 20 0 GIADRO CC[C@@H](C(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1)c1ccc(F)cc1 ZINC000460969980 823552938 /nfs/dbraw/zinc/55/29/38/823552938.db2.gz OYNVEFCMANAKOL-CTNGQTDRSA-N 1 0 384.495 4.281 20 0 GIADRO CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000190232753 823553644 /nfs/dbraw/zinc/55/36/44/823553644.db2.gz PMEUZDMEJCUDOZ-KRWDZBQOSA-N 1 0 389.437 4.337 20 0 GIADRO C[C@H]1CCC[C@](CNC(=O)c2ncoc2-c2ccccc2Cl)([NH+](C)C)C1 ZINC000460976444 823554180 /nfs/dbraw/zinc/55/41/80/823554180.db2.gz JGUWIMHQUOXEJQ-XOBRGWDASA-N 1 0 375.900 4.235 20 0 GIADRO CC[N@@H+]1CC[C@H](CNC(=O)C2(c3cccc(C(F)(F)F)c3)CCCCC2)C1 ZINC000460979397 823554996 /nfs/dbraw/zinc/55/49/96/823554996.db2.gz QSTUVXKAFUFDMD-MRXNPFEDSA-N 1 0 382.470 4.365 20 0 GIADRO CCc1oc2ccccc2c1CN(C)C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000411181092 823555129 /nfs/dbraw/zinc/55/51/29/823555129.db2.gz DONSIJFPKWFXCG-QGZVFWFLSA-N 1 0 386.561 4.171 20 0 GIADRO COc1ccc(C[NH2+]CCc2nc(-c3ccccn3)cs2)c(Cl)c1OC ZINC000123968848 823556499 /nfs/dbraw/zinc/55/64/99/823556499.db2.gz ROHTWMICLFDYRK-UHFFFAOYSA-N 1 0 389.908 4.208 20 0 GIADRO CCC1(C(=O)Nc2ccc(C(=O)N(C)[C@H]3CCC[N@H+](C)C3)cc2)CCCCC1 ZINC000461000282 823557477 /nfs/dbraw/zinc/55/74/77/823557477.db2.gz BYBHXHKQZJMYMB-FQEVSTJZSA-N 1 0 385.552 4.152 20 0 GIADRO O=C(c1ccccc1)C1CCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411223462 823558445 /nfs/dbraw/zinc/55/84/45/823558445.db2.gz KCGMQBHNOMQTGO-UHFFFAOYSA-N 1 0 390.527 4.408 20 0 GIADRO CC(C)(CCc1ccccc1)[NH2+]Cc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000411229380 823559069 /nfs/dbraw/zinc/55/90/69/823559069.db2.gz NXVSSEPYSRPLFG-UHFFFAOYSA-N 1 0 387.487 4.022 20 0 GIADRO COc1ccc2cc(C[NH2+]C[C@H](c3ccc(F)cc3)N3CCOCC3)ccc2c1 ZINC000060818214 823559616 /nfs/dbraw/zinc/55/96/16/823559616.db2.gz GBDIHGUJDMXIGP-XMMPIXPASA-N 1 0 394.490 4.151 20 0 GIADRO O=[N+]([O-])c1ccc(NC(=S)NCc2cccc(C[NH+]3CCCCCC3)c2)cc1 ZINC000060827201 823560429 /nfs/dbraw/zinc/56/04/29/823560429.db2.gz VUUFOSYBDHQKLO-UHFFFAOYSA-N 1 0 398.532 4.457 20 0 GIADRO FC(F)(F)c1csc([C@@H]2CCC[N@H+](CC3CCC4(CC3)OCCO4)C2)n1 ZINC000190304703 823561095 /nfs/dbraw/zinc/56/10/95/823561095.db2.gz DADQSFFAAUSOEV-CQSZACIVSA-N 1 0 390.471 4.275 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2c3ccccc3CC23CCOCC3)cc1 ZINC000461026174 823561355 /nfs/dbraw/zinc/56/13/55/823561355.db2.gz GQZNKFTVUJVCAT-QHCPKHFHSA-N 1 0 392.543 4.352 20 0 GIADRO COc1ccc([C@H]([NH2+]C[C@H]2CC=CCC2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000124035474 823561635 /nfs/dbraw/zinc/56/16/35/823561635.db2.gz BDFLSADLERPNKC-JTSKRJEESA-N 1 0 385.529 4.134 20 0 GIADRO CC[C@H](C(=O)N[C@H]1c2ccccc2CC12CCOCC2)[N@H+](C)Cc1ccccc1 ZINC000461033832 823562696 /nfs/dbraw/zinc/56/26/96/823562696.db2.gz MYMJAKCDZSXYFH-PKTZIBPZSA-N 1 0 392.543 4.107 20 0 GIADRO CC(C)[N@H+](C)CCCNc1nc(-c2cnccn2)nc2sc3c(c21)CCCC3 ZINC000060858998 823562839 /nfs/dbraw/zinc/56/28/39/823562839.db2.gz QCEPZBFWWACSMS-UHFFFAOYSA-N 1 0 396.564 4.169 20 0 GIADRO C[C@@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)c1cc(Cl)ccc1Cl ZINC000411332483 823564804 /nfs/dbraw/zinc/56/48/04/823564804.db2.gz BAGLUCSWPUFEIW-DOMZBBRYSA-N 1 0 387.376 4.388 20 0 GIADRO CCOC(=O)c1csc(CC[NH2+]Cc2ccc(SC(F)(F)F)cc2)n1 ZINC000190344389 823564967 /nfs/dbraw/zinc/56/49/67/823564967.db2.gz QKYRYDSRWIUJDH-UHFFFAOYSA-N 1 0 390.452 4.264 20 0 GIADRO CS(=O)(=O)c1ccc(C[NH2+]C2(c3ccc(Br)cc3)CCCC2)o1 ZINC000411333526 823565032 /nfs/dbraw/zinc/56/50/32/823565032.db2.gz ASWJLGWPPMHUJQ-UHFFFAOYSA-N 1 0 398.322 4.005 20 0 GIADRO COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)cc1 ZINC000190345591 823565228 /nfs/dbraw/zinc/56/52/28/823565228.db2.gz MEYXUVLLBKOJEZ-ZLNRFVROSA-N 1 0 389.499 4.205 20 0 GIADRO CCc1ccc(C[NH2+]C2(c3ccc(Br)cc3)CCOCC2)nc1 ZINC000411342069 823565391 /nfs/dbraw/zinc/56/53/91/823565391.db2.gz RHIPWLPEGCAGPV-UHFFFAOYSA-N 1 0 375.310 4.202 20 0 GIADRO O=C([C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CCC(Oc2ccccc2)CC1 ZINC000124088166 823566491 /nfs/dbraw/zinc/56/64/91/823566491.db2.gz TXEJAOTXIIFIMF-HXUWFJFHSA-N 1 0 396.506 4.108 20 0 GIADRO Cc1csc(C(C)(C)[NH2+]CCC(=O)Nc2ccc(Br)cc2)n1 ZINC000411374203 823567117 /nfs/dbraw/zinc/56/71/17/823567117.db2.gz LESFMGAQUVPQJB-UHFFFAOYSA-N 1 0 382.327 4.068 20 0 GIADRO Cc1cccnc1[C@@H]([NH2+]CC(=O)N(Cc1ccco1)Cc1ccccc1)C(C)C ZINC000411374451 823567219 /nfs/dbraw/zinc/56/72/19/823567219.db2.gz CMNJVIMYTFLUOX-QHCPKHFHSA-N 1 0 391.515 4.499 20 0 GIADRO Cc1ccc(Br)cc1C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000461064335 823568541 /nfs/dbraw/zinc/56/85/41/823568541.db2.gz RRRFFSDYYPWGES-DLBZAZTESA-N 1 0 393.369 4.484 20 0 GIADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2cc(C)sc2C)CC1 ZINC000060952924 823568961 /nfs/dbraw/zinc/56/89/61/823568961.db2.gz ZIBDQYATSKOWLA-UHFFFAOYSA-N 1 0 377.941 4.413 20 0 GIADRO C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)C2CC2)o1 ZINC000411393714 823569429 /nfs/dbraw/zinc/56/94/29/823569429.db2.gz WGMVIIAEYFGCFR-BPAFIMBUSA-N 1 0 388.577 4.112 20 0 GIADRO N#Cc1cccc(COc2cccc(C[NH2+]C[C@H]3COc4ccccc4C3)c2)c1 ZINC000060961643 823569779 /nfs/dbraw/zinc/56/97/79/823569779.db2.gz VJVMHHIEOMZBQZ-QFIPXVFZSA-N 1 0 384.479 4.478 20 0 GIADRO COc1cccc(CNC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)c1 ZINC000060972190 823570335 /nfs/dbraw/zinc/57/03/35/823570335.db2.gz QZCXQHPMXZYFTB-UHFFFAOYSA-N 1 0 381.520 4.071 20 0 GIADRO COc1ccccc1CNC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000060972212 823570354 /nfs/dbraw/zinc/57/03/54/823570354.db2.gz OHZQRJVYINIYSX-UHFFFAOYSA-N 1 0 381.520 4.071 20 0 GIADRO CC1(C)C[C@H](C(=O)NC2CC[NH+](CCc3ccccc3)CC2)c2ccccc2O1 ZINC000411402873 823570608 /nfs/dbraw/zinc/57/06/08/823570608.db2.gz VEIPRXIRHRSZKT-QFIPXVFZSA-N 1 0 392.543 4.155 20 0 GIADRO COc1ccc2c(c1)CC[N@@H+](CCC(=O)Nc1c(Cl)cccc1Cl)CC2 ZINC000411407196 823571002 /nfs/dbraw/zinc/57/10/02/823571002.db2.gz IBMNUFMKNNHFKP-UHFFFAOYSA-N 1 0 393.314 4.431 20 0 GIADRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]CCC(=O)Nc1c(Cl)cccc1Cl ZINC000411407177 823571033 /nfs/dbraw/zinc/57/10/33/823571033.db2.gz KTTIUXIGFIGINN-XIKOKIGWSA-N 1 0 387.307 4.034 20 0 GIADRO COc1ccc(C(=O)Nc2cccc(C[NH2+]CCc3cccc(OC)c3)c2)cc1 ZINC000060998567 823571880 /nfs/dbraw/zinc/57/18/80/823571880.db2.gz RMXNTAGKRUABIK-UHFFFAOYSA-N 1 0 390.483 4.288 20 0 GIADRO C[C@H](c1ccccn1)[N@H+](C)CCc1nc2sc3c(c2c(N)n1)CC[C@@H](C)C3 ZINC000411420313 823572026 /nfs/dbraw/zinc/57/20/26/823572026.db2.gz LMYLEJQVKQXTRW-ZIAGYGMSSA-N 1 0 381.549 4.029 20 0 GIADRO Cc1ccccc1COc1ccc([C@H](C)[NH2+][C@H](CCO)C2CCOCC2)cc1 ZINC000461080518 823572212 /nfs/dbraw/zinc/57/22/12/823572212.db2.gz CMVNQQHSQPMRHJ-YADARESESA-N 1 0 383.532 4.402 20 0 GIADRO C[C@H](c1ccccn1)[N@H+](C)CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000411421527 823572271 /nfs/dbraw/zinc/57/22/71/823572271.db2.gz MUUBYMRTWHSMRX-VGSWGCGISA-N 1 0 379.529 4.432 20 0 GIADRO O=S1(=O)CCCN1c1ccc(C[NH2+][C@@H](CC2CCC2)c2ccccc2)cc1 ZINC000461081281 823572474 /nfs/dbraw/zinc/57/24/74/823572474.db2.gz AJKVLUFUMLJHTL-QFIPXVFZSA-N 1 0 384.545 4.248 20 0 GIADRO COc1ccc([C@@H](Cc2ccccc2)NC(=O)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000461081449 823572480 /nfs/dbraw/zinc/57/24/80/823572480.db2.gz LWNQKNCMNPKAHB-FYYLOGMGSA-N 1 0 380.532 4.360 20 0 GIADRO COc1ccc([C@H](Cc2ccccc2)NC(=O)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000461081451 823572544 /nfs/dbraw/zinc/57/25/44/823572544.db2.gz LWNQKNCMNPKAHB-GMAHTHKFSA-N 1 0 380.532 4.360 20 0 GIADRO Cc1c(C[N@H+](C)Cc2cc(Cl)cc(Cl)c2)c(=O)n(-c2ccccc2)n1C ZINC000124156708 823572836 /nfs/dbraw/zinc/57/28/36/823572836.db2.gz UFWQYYBPIMQEHY-UHFFFAOYSA-N 1 0 390.314 4.423 20 0 GIADRO CCOc1ccccc1NC(=O)CC[NH+]1CC(c2nc3ccccc3s2)C1 ZINC000411428280 823573186 /nfs/dbraw/zinc/57/31/86/823573186.db2.gz SCDMFBCYLRWQPT-UHFFFAOYSA-N 1 0 381.501 4.123 20 0 GIADRO O[C@H]1CC[N@H+](Cc2cccc(N[C@H]3CCc4c3cccc4Br)c2)C1 ZINC000461085520 823573458 /nfs/dbraw/zinc/57/34/58/823573458.db2.gz KCDMKMRFJZNGLQ-JXFKEZNVSA-N 1 0 387.321 4.115 20 0 GIADRO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000411432671 823573571 /nfs/dbraw/zinc/57/35/71/823573571.db2.gz ZAIIKWZSMKJKFH-MRXNPFEDSA-N 1 0 380.414 4.211 20 0 GIADRO COc1cc([C@@H](C)NC(=O)NCC2([NH+](C)C)CCCCC2)ccc1OC(C)C ZINC000061020654 823573650 /nfs/dbraw/zinc/57/36/50/823573650.db2.gz NUBNFFNMUMDYRS-QGZVFWFLSA-N 1 0 391.556 4.107 20 0 GIADRO COc1ccc(OC)c([C@@H](C)[NH2+]CCC(=O)Nc2ccc(Cl)cc2F)c1 ZINC000411435941 823573989 /nfs/dbraw/zinc/57/39/89/823573989.db2.gz FROVHGQQSRCLSQ-GFCCVEGCSA-N 1 0 380.847 4.176 20 0 GIADRO CCCOc1ccc(C[NH2+]Cc2cc3c(cc2OCC)C[C@H](C)O3)cc1OC ZINC000061028566 823574077 /nfs/dbraw/zinc/57/40/77/823574077.db2.gz JBSRXAOGMUGIRM-INIZCTEOSA-N 1 0 385.504 4.496 20 0 GIADRO FC(F)Oc1ccc(C[NH2+]CCCn2cnc3ccccc32)c(OC(F)F)c1 ZINC000061030774 823574290 /nfs/dbraw/zinc/57/42/90/823574290.db2.gz CRJFQPBOAMQVCQ-UHFFFAOYSA-N 1 0 397.372 4.419 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N(Cc1c(F)cccc1F)C1CC1 ZINC000190441348 823574466 /nfs/dbraw/zinc/57/44/66/823574466.db2.gz SWQKEEMERNYVMU-IBGZPJMESA-N 1 0 389.446 4.069 20 0 GIADRO CC(C)Oc1cccc([C@H](C)NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000124174950 823574675 /nfs/dbraw/zinc/57/46/75/823574675.db2.gz ZNSAOBYLKRZEMG-KPLVRAHFSA-N 1 0 385.552 4.193 20 0 GIADRO COc1cc(Br)ccc1[C@H](C)[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000190441675 823574734 /nfs/dbraw/zinc/57/47/34/823574734.db2.gz JLNOBAGOUCBKPR-AWEZNQCLSA-N 1 0 386.293 4.494 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[NH2+][C@H](C)c1c(F)cccc1F ZINC000411443837 823574768 /nfs/dbraw/zinc/57/47/68/823574768.db2.gz JCECSZJQLHABII-CQSZACIVSA-N 1 0 398.457 4.447 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+][C@@H](CCO)C1CCOCC1 ZINC000461091379 823574950 /nfs/dbraw/zinc/57/49/50/823574950.db2.gz OBCDBRQFQGFFBS-ACJLOTCBSA-N 1 0 378.513 4.086 20 0 GIADRO COc1ccc(NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c(OCc2ccccc2)c1 ZINC000190444603 823575165 /nfs/dbraw/zinc/57/51/65/823575165.db2.gz WXMWZGLKBSNXME-LJQANCHMSA-N 1 0 397.519 4.080 20 0 GIADRO CC(C)(C)c1ccc(OCCC[NH+]2CCC(CC(=O)N3CCCC3)CC2)cc1 ZINC000061049325 823575352 /nfs/dbraw/zinc/57/53/52/823575352.db2.gz IVMIIJQUPUSOFF-UHFFFAOYSA-N 1 0 386.580 4.478 20 0 GIADRO Cc1c(Cl)c(C[NH+]2CCC(CC(=O)N3CCCC3)CC2)nc2ccccc12 ZINC000061049163 823575435 /nfs/dbraw/zinc/57/54/35/823575435.db2.gz XBZFXPRXIHKDSA-UHFFFAOYSA-N 1 0 385.939 4.421 20 0 GIADRO O=C(Nc1cccc(C(F)(F)F)n1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000124184838 823575451 /nfs/dbraw/zinc/57/54/51/823575451.db2.gz KQJILFPDPSVUBN-OAHLLOKOSA-N 1 0 384.446 4.220 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000190447092 823575540 /nfs/dbraw/zinc/57/55/40/823575540.db2.gz PGYCQDNOSNMKRJ-UHFFFAOYSA-N 1 0 395.400 4.157 20 0 GIADRO FC(F)SCc1ccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)o1 ZINC000124186140 823575550 /nfs/dbraw/zinc/57/55/50/823575550.db2.gz VDKMFZMUEIEBMU-CQSZACIVSA-N 1 0 396.507 4.433 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[NH2+][C@H](C)c1ccc(C)cc1 ZINC000411450479 823575851 /nfs/dbraw/zinc/57/58/51/823575851.db2.gz DWKPFAFPPYXEDQ-QGZVFWFLSA-N 1 0 376.504 4.477 20 0 GIADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000124187769 823575829 /nfs/dbraw/zinc/57/58/29/823575829.db2.gz VGFIDNXFPVTHNP-UHFFFAOYSA-N 1 0 397.302 4.088 20 0 GIADRO CC[NH+](CC)CCN(C(=O)[C@H]1CCC(=O)[C@@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000461096875 823576238 /nfs/dbraw/zinc/57/62/38/823576238.db2.gz WCPGJGCLPRFZEJ-HOTGVXAUSA-N 1 0 398.469 4.386 20 0 GIADRO COc1ccc([C@H](Cc2ccccc2)NC(=O)c2cccc(C[NH+](C)C)c2)cc1 ZINC000461097118 823576253 /nfs/dbraw/zinc/57/62/53/823576253.db2.gz ILMLBXKCKQASIG-DEOSSOPVSA-N 1 0 388.511 4.471 20 0 GIADRO CC(C)COc1ccc(C(C)(C)[NH2+]CCc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000411451822 823576212 /nfs/dbraw/zinc/57/62/12/823576212.db2.gz AGGIACHWANQPML-UHFFFAOYSA-N 1 0 379.504 4.438 20 0 GIADRO CSc1ccccc1NC(=O)CC[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000411453741 823576461 /nfs/dbraw/zinc/57/64/61/823576461.db2.gz KNCWUOQXJSTRHO-MRXNPFEDSA-N 1 0 397.544 4.215 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2cc(OC)c(Cl)cc2OC)cc1 ZINC000411458681 823577162 /nfs/dbraw/zinc/57/71/62/823577162.db2.gz LYHHNDGEIUBLEQ-CYBMUJFWSA-N 1 0 392.883 4.045 20 0 GIADRO COc1cccc(NC(=O)CC[NH2+][C@@H](C)c2ccc(OCC(F)(F)F)cc2)c1 ZINC000411464203 823577705 /nfs/dbraw/zinc/57/77/05/823577705.db2.gz XRRGUSGRHQEOOP-AWEZNQCLSA-N 1 0 396.409 4.316 20 0 GIADRO O=C(CC[NH2+][C@H](c1ccccc1)[C@@H]1CCOC1)Nc1cccc(C(F)(F)F)c1 ZINC000411465605 823577982 /nfs/dbraw/zinc/57/79/82/823577982.db2.gz XTUWPDSJFDKPBJ-OXQOHEQNSA-N 1 0 392.421 4.401 20 0 GIADRO COCCSc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2ccccc2F)cc1 ZINC000411466810 823578290 /nfs/dbraw/zinc/57/82/90/823578290.db2.gz SZFMNEVDSGJPDB-OAHLLOKOSA-N 1 0 376.497 4.244 20 0 GIADRO CC[C@H](C)[C@@H](C)[NH2+]CCC(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1 ZINC000411468711 823578334 /nfs/dbraw/zinc/57/83/34/823578334.db2.gz JACLNDZVVQRNEQ-DLBZAZTESA-N 1 0 397.519 4.300 20 0 GIADRO C[C@H]([NH2+][C@@H](CCO)C1CCOCC1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000461105270 823578409 /nfs/dbraw/zinc/57/84/09/823578409.db2.gz XLBYNYIPRQPHKP-SBUREZEXSA-N 1 0 387.495 4.233 20 0 GIADRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3ccc(-c4ncco4)cc3F)ccc2NC1=O ZINC000411470685 823578432 /nfs/dbraw/zinc/57/84/32/823578432.db2.gz JHIUCPFVBRJRSU-YJYMSZOUSA-N 1 0 395.434 4.441 20 0 GIADRO O=C(CC[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)N[C@@H]1CCCc2ccccc21 ZINC000411470895 823578519 /nfs/dbraw/zinc/57/85/19/823578519.db2.gz DOEDCDMXRKHNKN-WUMKDDEVSA-N 1 0 392.543 4.328 20 0 GIADRO CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3ccc(-c4ncco4)cc3F)ccc2NC1=O ZINC000411470677 823578553 /nfs/dbraw/zinc/57/85/53/823578553.db2.gz JHIUCPFVBRJRSU-DJJJIMSYSA-N 1 0 395.434 4.441 20 0 GIADRO COc1ccc2c(c1)CCC[C@@H]2C[NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000124219376 823578560 /nfs/dbraw/zinc/57/85/60/823578560.db2.gz OFBPFOIDSYMMBY-RHSMWYFYSA-N 1 0 391.508 4.009 20 0 GIADRO COc1ccccc1-c1ccc([C@@H](C)[NH2+]CC(=O)N(C)Cc2ccco2)cc1 ZINC000411470940 823578677 /nfs/dbraw/zinc/57/86/77/823578677.db2.gz JQWLTPLAXRHHPX-QGZVFWFLSA-N 1 0 378.472 4.264 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCCc3c(O)cccc32)CC[N@@H+]1Cc1ccccc1 ZINC000190470653 823578718 /nfs/dbraw/zinc/57/87/18/823578718.db2.gz LSDLOZYNGDBXQZ-QMHWCDLVSA-N 1 0 392.543 4.324 20 0 GIADRO CC[C@H]([NH2+]CC(=O)Nc1ccc(Br)cc1F)c1ccc(OC)cc1 ZINC000124224327 823578852 /nfs/dbraw/zinc/57/88/52/823578852.db2.gz OYUDAZDSOIUKFZ-INIZCTEOSA-N 1 0 395.272 4.276 20 0 GIADRO Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+][C@H](CCO)C1CCOCC1 ZINC000461110217 823579357 /nfs/dbraw/zinc/57/93/57/823579357.db2.gz OLYNNXFCLUYSFY-SCLBCKFNSA-N 1 0 378.513 4.086 20 0 GIADRO CCOc1ccccc1NC(=O)CC[NH2+][C@H](C)c1cccc(N2CCCC2)c1 ZINC000411477537 823579471 /nfs/dbraw/zinc/57/94/71/823579471.db2.gz SIJGBXFIUJVOSI-GOSISDBHSA-N 1 0 381.520 4.365 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1cccc(Cc2ccccc2)c1 ZINC000411477066 823579484 /nfs/dbraw/zinc/57/94/84/823579484.db2.gz RCEKARZAFVDXAQ-UHFFFAOYSA-N 1 0 385.511 4.067 20 0 GIADRO CCOc1ccc(NC(=O)CC[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)cc1 ZINC000411479744 823579610 /nfs/dbraw/zinc/57/96/10/823579610.db2.gz URPGIXYUUBKPGU-PGRDOPGGSA-N 1 0 382.504 4.171 20 0 GIADRO Brc1cccc(CN2CC[NH+](Cc3cccc4cccnc43)CC2)c1 ZINC000061135483 823579815 /nfs/dbraw/zinc/57/98/15/823579815.db2.gz FGXYOZIEVMJVSO-UHFFFAOYSA-N 1 0 396.332 4.315 20 0 GIADRO OCC[C@@H]([NH2+][C@H]1CCCc2nc(-c3ccccc3F)sc21)C1CCOCC1 ZINC000461112777 823579850 /nfs/dbraw/zinc/57/98/50/823579850.db2.gz UWGMEGNBKKJORL-MSOLQXFVSA-N 1 0 390.524 4.094 20 0 GIADRO CO[C@@]1(C[NH2+][C@H]2CCCc3nc(-c4ccc(Cl)cc4)sc32)CCOC1 ZINC000461113213 823579901 /nfs/dbraw/zinc/57/99/01/823579901.db2.gz WNKFUJJHSSSAFV-HNAYVOBHSA-N 1 0 378.925 4.236 20 0 GIADRO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH2+][C@H](C)c2ccc(-n3ccnc3C)cc2)c1C ZINC000411481444 823580074 /nfs/dbraw/zinc/58/00/74/823580074.db2.gz XMEGJOOJSNPYGH-ZBFHGGJFSA-N 1 0 392.503 4.250 20 0 GIADRO COc1ccc([C@@H]([NH2+][C@@H]2CCCCNC2=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000411482579 823580198 /nfs/dbraw/zinc/58/01/98/823580198.db2.gz CYGZKXWIXCDREF-MOPGFXCFSA-N 1 0 392.421 4.062 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)CC[N@@H+]1C ZINC000124239485 823580285 /nfs/dbraw/zinc/58/02/85/823580285.db2.gz RKYVLGFVEIJRDG-GHTZIAJQSA-N 1 0 388.515 4.094 20 0 GIADRO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)C1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC000461117302 823580551 /nfs/dbraw/zinc/58/05/51/823580551.db2.gz SDVCNNVLZTYALL-MRXNPFEDSA-N 1 0 382.470 4.317 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)c2ccccc2OCc2ccccc2Cl)CC[N@@H+]1C ZINC000124243818 823580654 /nfs/dbraw/zinc/58/06/54/823580654.db2.gz YTUDZVLXLMSXJN-AEFFLSMTSA-N 1 0 386.923 4.474 20 0 GIADRO O=C(CC[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)Nc1ccccc1Cl ZINC000411490604 823581012 /nfs/dbraw/zinc/58/10/12/823581012.db2.gz ONJFBSFWZYOSOZ-NRFANRHFSA-N 1 0 386.879 4.181 20 0 GIADRO CC(C)Oc1ccccc1NC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000061160024 823581280 /nfs/dbraw/zinc/58/12/80/823581280.db2.gz KKSZYRIOMZQTQU-UHFFFAOYSA-N 1 0 381.520 4.257 20 0 GIADRO CN(Cc1ccccc1Br)C(=O)C[N@H+](C1CC1)C1CCCCC1 ZINC000061163249 823581615 /nfs/dbraw/zinc/58/16/15/823581615.db2.gz TYQODLWWAOGXSK-UHFFFAOYSA-N 1 0 379.342 4.205 20 0 GIADRO CCc1cnccc1[C@@H](C)[NH2+]CC(=O)N(Cc1ccco1)Cc1ccccc1 ZINC000411500137 823581685 /nfs/dbraw/zinc/58/16/85/823581685.db2.gz FOWLDDKKGLCGGB-GOSISDBHSA-N 1 0 377.488 4.117 20 0 GIADRO COC(=O)c1ccc(C[NH2+]C2(c3ccc(C(F)(F)F)cc3)CCCC2)nc1 ZINC000411499547 823581712 /nfs/dbraw/zinc/58/17/12/823581712.db2.gz RLGVVOWLAVYDRB-UHFFFAOYSA-N 1 0 378.394 4.446 20 0 GIADRO Clc1ccc(-c2noc(CC[NH+]3CCC(CCCn4ccnc4)CC3)n2)cc1 ZINC000411498863 823581736 /nfs/dbraw/zinc/58/17/36/823581736.db2.gz BYXDRSCTSXBULZ-UHFFFAOYSA-N 1 0 399.926 4.321 20 0 GIADRO CC(C)[N@H+](C[C@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1)C1CC1 ZINC000061165445 823581932 /nfs/dbraw/zinc/58/19/32/823581932.db2.gz YRDLRUSSGYWCII-NRFANRHFSA-N 1 0 375.459 4.305 20 0 GIADRO COc1ccc(C[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C2CC2)cc1 ZINC000061171043 823582100 /nfs/dbraw/zinc/58/21/00/823582100.db2.gz WXROXCJNYCRYMH-INIZCTEOSA-N 1 0 396.314 4.406 20 0 GIADRO COc1ccccc1SCC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000124271584 823582686 /nfs/dbraw/zinc/58/26/86/823582686.db2.gz WBVNFZQGRSQDHZ-GOSISDBHSA-N 1 0 390.593 4.290 20 0 GIADRO CCc1ccc([C@@H](CO)[NH2+]CCC(=O)Nc2c(Cl)cccc2Cl)cc1 ZINC000411512573 823582691 /nfs/dbraw/zinc/58/26/91/823582691.db2.gz RXBILGCJDKTTNV-QGZVFWFLSA-N 1 0 381.303 4.208 20 0 GIADRO CC[C@H]([NH2+]CCC(=O)Nc1cccc(F)c1)c1nc(C(F)(F)F)cs1 ZINC000411514208 823582947 /nfs/dbraw/zinc/58/29/47/823582947.db2.gz FZPIDXRJUNBAEJ-LBPRGKRZSA-N 1 0 375.391 4.371 20 0 GIADRO C[C@H](CCc1ccco1)NC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000061190975 823583196 /nfs/dbraw/zinc/58/31/96/823583196.db2.gz XBZWEZOVOVEMEM-MJGOQNOKSA-N 1 0 389.565 4.435 20 0 GIADRO Cc1csc(C2([NH2+]CCC(=O)Nc3cccc(C(F)(F)F)c3)CCC2)n1 ZINC000411516437 823583465 /nfs/dbraw/zinc/58/34/65/823583465.db2.gz CFUAOZQTIINOPW-UHFFFAOYSA-N 1 0 383.439 4.468 20 0 GIADRO CCN(C(=O)NC1CC[NH+](C2CC2)CC1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000124295899 823584961 /nfs/dbraw/zinc/58/49/61/823584961.db2.gz HXANSOXNLUKXHN-CQSZACIVSA-N 1 0 383.458 4.425 20 0 GIADRO Brc1ccc(-c2nnc(C[N@@H+]3CC[C@H](Cc4ccccc4)C3)o2)o1 ZINC000124300738 823585262 /nfs/dbraw/zinc/58/52/62/823585262.db2.gz NHKWBQIFSXEOFQ-CQSZACIVSA-N 1 0 388.265 4.157 20 0 GIADRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCc1ccc(Br)cn1 ZINC000411534293 823585763 /nfs/dbraw/zinc/58/57/63/823585763.db2.gz PCESJOIUNXPFKI-IGOJGBNBSA-N 1 0 388.353 4.090 20 0 GIADRO Cc1cnc([C@H](C)[NH2+]CCC(=O)N[C@@H](c2cccs2)c2ccccc2)s1 ZINC000411539320 823586337 /nfs/dbraw/zinc/58/63/37/823586337.db2.gz MCEAVIDZVSDQGC-HNAYVOBHSA-N 1 0 385.558 4.460 20 0 GIADRO O=C(NCCC[NH+]1CCCC1)c1ccc(COc2ccc3ccccc3c2)o1 ZINC000061238922 823586413 /nfs/dbraw/zinc/58/64/13/823586413.db2.gz FGZNKZWXILPGDA-UHFFFAOYSA-N 1 0 378.472 4.228 20 0 GIADRO C[C@H]1C[N@@H+](C2CCN(C(=O)Nc3ccccc3-c3ccccc3)CC2)CCO1 ZINC000124317451 823586731 /nfs/dbraw/zinc/58/67/31/823586731.db2.gz OSPGOXYRWQCBLI-SFHVURJKSA-N 1 0 379.504 4.071 20 0 GIADRO C[C@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(F)c(Br)c1 ZINC000124320766 823586894 /nfs/dbraw/zinc/58/68/94/823586894.db2.gz MOPOYUQUCCYCGH-QWRGUYRKSA-N 1 0 383.227 4.123 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(-c2ncco2)cc1F ZINC000411552180 823587467 /nfs/dbraw/zinc/58/74/67/823587467.db2.gz OMMRLSAAAWOUKM-VGSWGCGISA-N 1 0 379.479 4.481 20 0 GIADRO COc1ccccc1COC[C@@H](O)C[N@H+](Cc1cccc(Cl)c1)C(C)C ZINC000061255257 823587541 /nfs/dbraw/zinc/58/75/41/823587541.db2.gz VYBLSTYIPZZXBF-FQEVSTJZSA-N 1 0 377.912 4.137 20 0 GIADRO O=C(CC[NH2+][C@@H]1CCCC[C@@H]1n1cccn1)Nc1ccccc1C(F)(F)F ZINC000411562091 823588328 /nfs/dbraw/zinc/58/83/28/823588328.db2.gz RTTIJONDVGHLJN-SJORKVTESA-N 1 0 380.414 4.004 20 0 GIADRO O=C(CC[NH2+][C@@H]1CCCC[C@@H]1n1cccn1)Nc1c(Cl)cccc1Cl ZINC000411564426 823588370 /nfs/dbraw/zinc/58/83/70/823588370.db2.gz VYQVYOSLWJELHG-CVEARBPZSA-N 1 0 381.307 4.292 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)NCC(C)(C)c2ccc(C(F)(F)F)cc2)CC[N@@H+]1C ZINC000190583996 823588497 /nfs/dbraw/zinc/58/84/97/823588497.db2.gz RRBOEKHXCKSQCH-YOEHRIQHSA-N 1 0 385.474 4.107 20 0 GIADRO Cc1ccc(CN(Cc2ccco2)C(=O)NC[C@@H](C)C[NH+]2CCCC2)s1 ZINC000124340511 823588568 /nfs/dbraw/zinc/58/85/68/823588568.db2.gz GDGXCZHATXBSIK-MRXNPFEDSA-N 1 0 375.538 4.093 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]C2CCN(c3ccccn3)CC2)cc1Br ZINC000124342783 823588714 /nfs/dbraw/zinc/58/87/14/823588714.db2.gz HQIQLGFPPDSFSO-CQSZACIVSA-N 1 0 390.325 4.172 20 0 GIADRO CCCCOc1ccc(NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)c(C)c1 ZINC000411576039 823588879 /nfs/dbraw/zinc/58/88/79/823588879.db2.gz ODWVMVKFZRHUKQ-GOSISDBHSA-N 1 0 376.566 4.330 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)C(=O)Nc2cccc(-c3cccs3)c2)c1 ZINC000124345710 823588971 /nfs/dbraw/zinc/58/89/71/823588971.db2.gz LTKATHMHLSQUSI-UHFFFAOYSA-N 1 0 379.485 4.054 20 0 GIADRO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]Cc1cc(Cl)cc(Br)c1 ZINC000411578592 823589034 /nfs/dbraw/zinc/58/90/34/823589034.db2.gz SMYLNTIBLOBKMU-RDJZCZTQSA-N 1 0 398.732 4.073 20 0 GIADRO CCCc1c(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)[nH]c(C)c1C(C)=O ZINC000061285781 823589531 /nfs/dbraw/zinc/58/95/31/823589531.db2.gz RRXKVVHENXHVES-UHFFFAOYSA-N 1 0 399.560 4.279 20 0 GIADRO CCOc1ccc(CCC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)cc1 ZINC000061285697 823589536 /nfs/dbraw/zinc/58/95/36/823589536.db2.gz CCXGORVKAGZPBX-UHFFFAOYSA-N 1 0 384.545 4.205 20 0 GIADRO Cc1cc2ccccc2n1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000061286239 823589544 /nfs/dbraw/zinc/58/95/44/823589544.db2.gz VKBBWOQOBKJLDR-UHFFFAOYSA-N 1 0 379.529 4.137 20 0 GIADRO CCCN(CC[NH+](CC)CC)C(=O)c1sc(NC(=O)C(C)(C)C)cc1C ZINC000461158104 823589760 /nfs/dbraw/zinc/58/97/60/823589760.db2.gz MDHHFIMXZTUYIU-UHFFFAOYSA-N 1 0 381.586 4.235 20 0 GIADRO Cc1cc(Cl)ccc1OCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000061286808 823589835 /nfs/dbraw/zinc/58/98/35/823589835.db2.gz RLHGMISIPPGZIW-UHFFFAOYSA-N 1 0 390.936 4.215 20 0 GIADRO CC(C)c1c(NC2CC[NH+](Cc3cccnc3)CC2)cnn1-c1ccccc1 ZINC000190597900 823589885 /nfs/dbraw/zinc/58/98/85/823589885.db2.gz OYSQMGLKGHVXEB-UHFFFAOYSA-N 1 0 375.520 4.467 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)C1(c2ccccc2)CCC1 ZINC000061288563 823590048 /nfs/dbraw/zinc/59/00/48/823590048.db2.gz GUMNZWWQKJEAGX-UHFFFAOYSA-N 1 0 380.557 4.338 20 0 GIADRO C[C@H]([NH2+]CCC(=O)Nc1cc(F)cc(F)c1)c1nc2ccccc2n1C(F)F ZINC000411610300 823590593 /nfs/dbraw/zinc/59/05/93/823590593.db2.gz JJFGEPVDNKSIIT-NSHDSACASA-N 1 0 394.372 4.389 20 0 GIADRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1csc(CC(C)C)n1 ZINC000061307054 823590779 /nfs/dbraw/zinc/59/07/79/823590779.db2.gz HLXRCMIXYKCQPB-UHFFFAOYSA-N 1 0 389.590 4.451 20 0 GIADRO COc1ccccc1C(C)(C)C(=O)Nc1cccc(C[NH+]2CCSCC2)c1C ZINC000061307095 823590878 /nfs/dbraw/zinc/59/08/78/823590878.db2.gz IVWJAUKPKAKQRK-UHFFFAOYSA-N 1 0 398.572 4.469 20 0 GIADRO CN(Cc1ccco1)C(=O)C[NH2+][C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000411618384 823591202 /nfs/dbraw/zinc/59/12/02/823591202.db2.gz UWYIEPLFTNDCNE-ROUUACIJSA-N 1 0 380.410 4.183 20 0 GIADRO CCCOC(=O)c1ccc(NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000061312101 823591225 /nfs/dbraw/zinc/59/12/25/823591225.db2.gz YRGQGBWAVRBWNO-KRWDZBQOSA-N 1 0 375.513 4.030 20 0 GIADRO Cn1c(CCC[NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)nc2ccccc21 ZINC000124372613 823591210 /nfs/dbraw/zinc/59/12/10/823591210.db2.gz FZUUQJNPFGPMSF-UHFFFAOYSA-N 1 0 379.895 4.339 20 0 GIADRO O=C(C[NH2+][C@@H]1CCCc2c(O)cccc21)N(Cc1ccco1)Cc1ccccc1 ZINC000411625521 823592166 /nfs/dbraw/zinc/59/21/66/823592166.db2.gz WVJZMECBKBFIRG-JOCHJYFZSA-N 1 0 390.483 4.181 20 0 GIADRO CCOc1cc(C[NH2+]CCCc2nc3ccccc3n2C)ccc1OC(F)F ZINC000124401866 823593709 /nfs/dbraw/zinc/59/37/09/823593709.db2.gz KTPSGQNUGNCNRS-UHFFFAOYSA-N 1 0 389.446 4.296 20 0 GIADRO O=C(CC[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1)Nc1cc(F)cc(F)c1 ZINC000411650999 823594237 /nfs/dbraw/zinc/59/42/37/823594237.db2.gz RSMBOVVBYFAFKT-MJGOQNOKSA-N 1 0 380.822 4.067 20 0 GIADRO Cc1c([C@@H](C)[NH2+]CC2(C)OCCCO2)cnn1-c1ccc(Cl)cc1Cl ZINC000190640076 823594280 /nfs/dbraw/zinc/59/42/80/823594280.db2.gz IRHNDCJPWAXCQN-GFCCVEGCSA-N 1 0 384.307 4.291 20 0 GIADRO CCCCOc1ccc(CNC(=O)N2CCC([NH2+]C(C)C)CC2)cc1Cl ZINC000190644924 823594786 /nfs/dbraw/zinc/59/47/86/823594786.db2.gz MNONKCTUAZJSRQ-UHFFFAOYSA-N 1 0 381.948 4.191 20 0 GIADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Nc1cc(F)cc(F)c1Br ZINC000190656916 823595738 /nfs/dbraw/zinc/59/57/38/823595738.db2.gz FWZDATCLJJLEPT-GFCCVEGCSA-N 1 0 390.272 4.065 20 0 GIADRO CCOc1ccccc1NC(=O)CC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O ZINC000411662990 823595830 /nfs/dbraw/zinc/59/58/30/823595830.db2.gz OUJFSDFKYPFZRT-KOUHRCEDSA-N 1 0 388.552 4.066 20 0 GIADRO CCC[N@H+](CC)Cc1ccc(C(=O)Nc2c(C)c(C(F)(F)F)nn2C)cc1 ZINC000461197660 823596937 /nfs/dbraw/zinc/59/69/37/823596937.db2.gz PGDTXKXPUGREQX-UHFFFAOYSA-N 1 0 382.430 4.232 20 0 GIADRO Cc1nc(C(C)(C)C)sc1C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000061432983 823597154 /nfs/dbraw/zinc/59/71/54/823597154.db2.gz SHYOZYCIUCDCKI-UHFFFAOYSA-N 1 0 395.519 4.231 20 0 GIADRO CC(C)(C)OC(=O)CC[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000411696766 823597736 /nfs/dbraw/zinc/59/77/36/823597736.db2.gz JYPJYDJPOPXDPB-GOSISDBHSA-N 1 0 387.442 4.495 20 0 GIADRO CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCC(=O)Nc1ccccc1F ZINC000411700023 823597888 /nfs/dbraw/zinc/59/78/88/823597888.db2.gz ZCCLJWAIPLVJRM-NRFANRHFSA-N 1 0 383.511 4.045 20 0 GIADRO C[C@H]1CCCCN1C(=O)C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000411704830 823598290 /nfs/dbraw/zinc/59/82/90/823598290.db2.gz USPXDCHNMVINFX-MGPUTAFESA-N 1 0 398.469 4.164 20 0 GIADRO Cc1cccc(NC(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000124460054 823598315 /nfs/dbraw/zinc/59/83/15/823598315.db2.gz YCOVKJZJKXBYGV-UHFFFAOYSA-N 1 0 392.425 4.149 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCCC1)Nc1ccccc1-n1cccn1 ZINC000061450450 823598331 /nfs/dbraw/zinc/59/83/31/823598331.db2.gz TVGHSPRQADJQTM-UHFFFAOYSA-N 1 0 389.503 4.180 20 0 GIADRO COc1ccc2ccccc2c1C[N@H+](Cc1cc(=O)c(O)co1)C1CCCC1 ZINC000124465447 823598939 /nfs/dbraw/zinc/59/89/39/823598939.db2.gz ZDMRTNAESMDZFY-UHFFFAOYSA-N 1 0 379.456 4.452 20 0 GIADRO CCC[C@@H](NC(=O)C(=O)Nc1cccc2c1C[N@@H+]([C@@H](C)C(C)C)C2)C1CCC1 ZINC000411712541 823598954 /nfs/dbraw/zinc/59/89/54/823598954.db2.gz ZVVQYQKFUFBXJX-OXJNMPFZSA-N 1 0 385.552 4.070 20 0 GIADRO CC[C@H]([NH2+]CCC(=O)Nc1cc(F)cc(F)c1)c1ccc(OC)c(OC)c1 ZINC000411716812 823599479 /nfs/dbraw/zinc/59/94/79/823599479.db2.gz HGPGHIRRRVZEDM-KRWDZBQOSA-N 1 0 378.419 4.052 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)[C@H](c2ccccc2)N2CCc3ccccc32)CC1 ZINC000461213153 823599731 /nfs/dbraw/zinc/59/97/31/823599731.db2.gz CERZUSZFZREXOB-DEOSSOPVSA-N 1 0 391.559 4.029 20 0 GIADRO C[C@@H](C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)Oc1cccc(F)c1 ZINC000124474090 823599813 /nfs/dbraw/zinc/59/98/13/823599813.db2.gz NPJJFISXMVHXTF-HNNXBMFYSA-N 1 0 390.886 4.141 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)[NH+]2CCCC2)cc1 ZINC000061502652 823600075 /nfs/dbraw/zinc/60/00/75/823600075.db2.gz VCEAJDBYVVUNEJ-JOCHJYFZSA-N 1 0 394.563 4.391 20 0 GIADRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+][C@H](C)C(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000411724027 823600158 /nfs/dbraw/zinc/60/01/58/823600158.db2.gz CZKCYRAJFPCDPI-RZXSNQJFSA-N 1 0 396.531 4.346 20 0 GIADRO CC(=O)Nc1cc(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)ccc1C ZINC000061503565 823600252 /nfs/dbraw/zinc/60/02/52/823600252.db2.gz HZBQGOKSVAUYBM-UHFFFAOYSA-N 1 0 393.531 4.259 20 0 GIADRO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1[NH2+]CCc1nc(-c2ccccc2)no1 ZINC000411725935 823600291 /nfs/dbraw/zinc/60/02/91/823600291.db2.gz GVHXUOBBCMCEHN-PCCBWWKXSA-N 1 0 377.488 4.220 20 0 GIADRO CCOc1ccc(-c2nc(C(=O)NCCC3CC[NH+](CC)CC3)cs2)cc1 ZINC000461216597 823600395 /nfs/dbraw/zinc/60/03/95/823600395.db2.gz YWEDEVAKWHOAQQ-UHFFFAOYSA-N 1 0 387.549 4.061 20 0 GIADRO O=C(CC[N@@H+]1CCC[C@H](c2ccncc2)C1)Nc1ccc(Br)cc1 ZINC000411726833 823600613 /nfs/dbraw/zinc/60/06/13/823600613.db2.gz IFSCUFPKYSYLPS-INIZCTEOSA-N 1 0 388.309 4.052 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)c2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000461219130 823600638 /nfs/dbraw/zinc/60/06/38/823600638.db2.gz PWKBBRUDKJOLMM-UHFFFAOYSA-N 1 0 377.941 4.315 20 0 GIADRO Cc1ncn(-c2ccc(NS(=O)(=O)c3cccc4ccccc43)cc2)c1C ZINC000461220579 823600691 /nfs/dbraw/zinc/60/06/91/823600691.db2.gz SZCQLMWJZMMXRD-UHFFFAOYSA-N 1 0 377.469 4.443 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)c2cccc(COc3cccc(F)c3)c2)CC1 ZINC000461221626 823600838 /nfs/dbraw/zinc/60/08/38/823600838.db2.gz XMAMAYWQNUJNAY-UHFFFAOYSA-N 1 0 384.495 4.257 20 0 GIADRO CCCn1c(C)c(C(=O)NCCC2CC[NH+](CC)CC2)c2cc(OC)ccc21 ZINC000461221396 823600938 /nfs/dbraw/zinc/60/09/38/823600938.db2.gz WNYUYEJAQSPVAX-UHFFFAOYSA-N 1 0 385.552 4.220 20 0 GIADRO OC[C@@]1(Cc2ccc(F)cc2)CC[N@H+](Cc2ccc(-c3ncco3)cc2F)C1 ZINC000411737072 823600954 /nfs/dbraw/zinc/60/09/54/823600954.db2.gz OOZYCTOIOAQPRJ-JOCHJYFZSA-N 1 0 384.426 4.047 20 0 GIADRO CSc1ccc(OC[C@H](O)C[N@H+](C)[C@H]2CC[C@@H](C(F)(F)F)CC2)cc1 ZINC000411733649 823601005 /nfs/dbraw/zinc/60/10/05/823601005.db2.gz GQDZWMHHMSEOCL-QLFBSQMISA-N 1 0 377.472 4.201 20 0 GIADRO COc1cc([C@@H](C)[NH2+]CCC(=O)N[C@@H](c2cccs2)c2ccccc2)ccn1 ZINC000411741978 823601419 /nfs/dbraw/zinc/60/14/19/823601419.db2.gz QHIDBUZIXILWFK-OPAMFIHVSA-N 1 0 395.528 4.098 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)c2ccc(Oc3ccncc3)c(Cl)c2)CC1 ZINC000461226209 823601441 /nfs/dbraw/zinc/60/14/41/823601441.db2.gz XZSZADGBSCVPJD-UHFFFAOYSA-N 1 0 387.911 4.379 20 0 GIADRO CN1CC[C@H]([NH2+]Cc2cc(-c3ccco3)on2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000411743264 823601762 /nfs/dbraw/zinc/60/17/62/823601762.db2.gz FIJDNPRMDGTDCS-QFBILLFUSA-N 1 0 375.831 4.262 20 0 GIADRO COc1cc(Cl)c(F)c(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)c1 ZINC000411746267 823602107 /nfs/dbraw/zinc/60/21/07/823602107.db2.gz RUYPYOUVRXAMKK-UHFFFAOYSA-N 1 0 396.915 4.191 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2ccccc2Cl)c(C)c1OC ZINC000411748621 823602236 /nfs/dbraw/zinc/60/22/36/823602236.db2.gz ZNAFQIBGXBBHMW-CQSZACIVSA-N 1 0 376.884 4.345 20 0 GIADRO CC(C)[NH+]1CCC(NC(=O)CN[C@@H](c2c(Cl)cccc2Cl)C2CC2)CC1 ZINC000411755140 823602655 /nfs/dbraw/zinc/60/26/55/823602655.db2.gz RFFVJLQYNDZXQH-HXUWFJFHSA-N 1 0 398.378 4.023 20 0 GIADRO COCC[N@H+](CCC(=O)Nc1c(Cl)cccc1Cl)[C@@H]1CCCSC1 ZINC000411758566 823602949 /nfs/dbraw/zinc/60/29/49/823602949.db2.gz OIIYNLVJKRUNSH-CYBMUJFWSA-N 1 0 391.364 4.166 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)c1 ZINC000061549931 823603051 /nfs/dbraw/zinc/60/30/51/823603051.db2.gz UKFANKKWZCFQRN-UHFFFAOYSA-N 1 0 394.450 4.396 20 0 GIADRO O=C(NCc1cc2ccccc2o1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000061550955 823603143 /nfs/dbraw/zinc/60/31/43/823603143.db2.gz MPATWOVVGFKUDV-UHFFFAOYSA-N 1 0 377.488 4.418 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000061551038 823603205 /nfs/dbraw/zinc/60/32/05/823603205.db2.gz VXTKIVTUCJJWFK-UHFFFAOYSA-N 1 0 394.563 4.128 20 0 GIADRO C[C@H]([NH2+]CCC(=O)Nc1ccc(Cl)cc1F)[C@H]1OCCc2sccc21 ZINC000411763561 823603306 /nfs/dbraw/zinc/60/33/06/823603306.db2.gz ZCXWRPKJJZZFFP-BBATYDOGSA-N 1 0 382.888 4.161 20 0 GIADRO CCCCOc1cccc(CNC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)c1 ZINC000124523496 823603424 /nfs/dbraw/zinc/60/34/24/823603424.db2.gz PTFCGEIDHYSMLL-UHFFFAOYSA-N 1 0 399.535 4.265 20 0 GIADRO O=C(NCc1ccc2c(c1)CCC2)NCc1ccccc1C[NH+]1CCCCC1 ZINC000061553832 823603453 /nfs/dbraw/zinc/60/34/53/823603453.db2.gz SUVPXCJGFCRLIW-UHFFFAOYSA-N 1 0 377.532 4.161 20 0 GIADRO CC(C)[C@H]([NH2+]Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C1(CO)CCC1 ZINC000411769769 823603844 /nfs/dbraw/zinc/60/38/44/823603844.db2.gz KKJHFWGXDUDHHZ-IBGZPJMESA-N 1 0 397.544 4.341 20 0 GIADRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)c1cc(-c2cccs2)on1 ZINC000061568220 823604465 /nfs/dbraw/zinc/60/44/65/823604465.db2.gz MTHPFTMSKGNLMX-UHFFFAOYSA-N 1 0 387.530 4.107 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1ccc(-c2nccs2)cc1)c1cccc(F)c1 ZINC000124538468 823604517 /nfs/dbraw/zinc/60/45/17/823604517.db2.gz KLVNLJVIOUZULZ-GOSISDBHSA-N 1 0 384.480 4.374 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(-c2nccs2)cc1)c1cccc(F)c1 ZINC000124538244 823604558 /nfs/dbraw/zinc/60/45/58/823604558.db2.gz KLVNLJVIOUZULZ-SFHVURJKSA-N 1 0 384.480 4.374 20 0 GIADRO O=C(Cc1cccc2cccnc21)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000061572276 823604674 /nfs/dbraw/zinc/60/46/74/823604674.db2.gz HJJKZZCEHRYFHL-UHFFFAOYSA-N 1 0 391.540 4.007 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1ccc(-c2nccs2)cc1)Cc1ccccc1 ZINC000124538710 823604782 /nfs/dbraw/zinc/60/47/82/823604782.db2.gz IKOTYHYLUMVYOH-IBGZPJMESA-N 1 0 380.517 4.105 20 0 GIADRO CCCN(C(=O)c1cccs1)C1CC[NH+](C[C@H](O)C2CCCCC2)CC1 ZINC000190746118 823604815 /nfs/dbraw/zinc/60/48/15/823604815.db2.gz XBDINCYJXCCADY-IBGZPJMESA-N 1 0 378.582 4.006 20 0 GIADRO FC(F)(F)CN1CCC([NH2+][C@H](c2cccc(Cl)c2)c2ccccn2)CC1 ZINC000124545177 823605062 /nfs/dbraw/zinc/60/50/62/823605062.db2.gz SZYBTXQVLVRNBS-GOSISDBHSA-N 1 0 383.845 4.441 20 0 GIADRO CCn1cc([C@@H](C)[NH2+]CCC(=O)Nc2ccc(Oc3ccccc3)cc2)cn1 ZINC000411792355 823605075 /nfs/dbraw/zinc/60/50/75/823605075.db2.gz AKQLCHFGPFCOBH-QGZVFWFLSA-N 1 0 378.476 4.375 20 0 GIADRO COc1cccc(F)c1[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000461255051 823605648 /nfs/dbraw/zinc/60/56/48/823605648.db2.gz YTSYPQZOUFPYKE-NVXWUHKLSA-N 1 0 388.458 4.063 20 0 GIADRO CC[NH+](CC)CCOc1ccc(C(=O)N[C@@H](C)c2c(F)cccc2OC)cc1 ZINC000461257219 823606165 /nfs/dbraw/zinc/60/61/65/823606165.db2.gz QYBISGXKGYHLNU-INIZCTEOSA-N 1 0 388.483 4.046 20 0 GIADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cccc(NC(=O)C2CCCCC2)c1 ZINC000461256945 823606178 /nfs/dbraw/zinc/60/61/78/823606178.db2.gz KUHQFKPERWOQQX-OAQYLSRUSA-N 1 0 385.552 4.152 20 0 GIADRO Cc1nc(C(C)(C)C)sc1C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000061621318 823606425 /nfs/dbraw/zinc/60/64/25/823606425.db2.gz GJYFXHLKQHKYSE-UHFFFAOYSA-N 1 0 377.598 4.477 20 0 GIADRO Cc1nc2cc(C(=O)N(C)CC[C@@H]3CCCC[N@@H+]3C)ccc2n1-c1ccccc1 ZINC000461258985 823606525 /nfs/dbraw/zinc/60/65/25/823606525.db2.gz DOLHAFGAOVEOCM-FQEVSTJZSA-N 1 0 390.531 4.280 20 0 GIADRO CCOc1ccc([C@@H](C)NC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000061631934 823606721 /nfs/dbraw/zinc/60/67/21/823606721.db2.gz YNSPOGRXTKPQKF-NQIIRXRSSA-N 1 0 381.520 4.110 20 0 GIADRO CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000461261646 823607504 /nfs/dbraw/zinc/60/75/04/823607504.db2.gz XETUDLSNNNLGDU-QGZVFWFLSA-N 1 0 393.959 4.271 20 0 GIADRO COc1ccc([C@@H](CNC(=O)Nc2ccc(Cl)c(F)c2)[NH+]2CCCC2)cc1 ZINC000061672832 823608440 /nfs/dbraw/zinc/60/84/40/823608440.db2.gz YREJLGGDTLQMLX-LJQANCHMSA-N 1 0 391.874 4.446 20 0 GIADRO CC(C)OCCC[N@@H+]1CCC[C@H]1c1nc(-c2ccccc2Br)no1 ZINC000190783524 823608642 /nfs/dbraw/zinc/60/86/42/823608642.db2.gz WJJSPYFPRBMIAE-INIZCTEOSA-N 1 0 394.313 4.451 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc2c(c1)OC(C)(C)O2)c1ccccc1 ZINC000061722986 823608739 /nfs/dbraw/zinc/60/87/39/823608739.db2.gz FCGOTHVSUZFQDT-SFHVURJKSA-N 1 0 383.492 4.399 20 0 GIADRO OCC1([C@H]([NH2+]CCc2nc(-c3ccccc3)no2)c2ccccc2)CCCC1 ZINC000411824397 823608908 /nfs/dbraw/zinc/60/89/08/823608908.db2.gz XHKRDVSSYXAQMX-OAQYLSRUSA-N 1 0 377.488 4.163 20 0 GIADRO Cc1cc(NC(=O)[C@H]2CCOc3ccccc32)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000190792642 823609633 /nfs/dbraw/zinc/60/96/33/823609633.db2.gz TZFSRVUIUAPPEB-QFIPXVFZSA-N 1 0 393.531 4.030 20 0 GIADRO COc1ccc(CN(C(=O)C[NH+]2CCCCC2)[C@@H](C)Cc2cccs2)cc1 ZINC000061744510 823611199 /nfs/dbraw/zinc/61/11/99/823611199.db2.gz RRSOJQKSSDRJLT-SFHVURJKSA-N 1 0 386.561 4.202 20 0 GIADRO CC(=O)Nc1cccc(C(=O)OC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1C ZINC000190808854 823611796 /nfs/dbraw/zinc/61/17/96/823611796.db2.gz DHRPFEWUKCMDCZ-HXUWFJFHSA-N 1 0 380.488 4.022 20 0 GIADRO CCc1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CCN(C)CC2)sc1C ZINC000124620186 823611834 /nfs/dbraw/zinc/61/18/34/823611834.db2.gz FDRSJGDAOKUISJ-WOJBJXKFSA-N 1 0 391.625 4.028 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)C[C@H](c2ccc(O)cc2)C2CC2)[NH+]2CCCC2)o1 ZINC000411878673 823612038 /nfs/dbraw/zinc/61/20/38/823612038.db2.gz SUMISLXKDHVLAZ-LEWJYISDSA-N 1 0 382.504 4.131 20 0 GIADRO Cc1cc2cc(CNc3ccc4oc(=O)n(CC[NH+](C)C)c4c3)oc2cc1C ZINC000124629626 823612428 /nfs/dbraw/zinc/61/24/28/823612428.db2.gz LPOIUIIBXUNGLZ-UHFFFAOYSA-N 1 0 379.460 4.131 20 0 GIADRO COc1ccc(-c2n[nH]cc2C[NH+]2CCC([C@@H](O)c3ccccc3)CC2)cc1 ZINC000124630618 823612576 /nfs/dbraw/zinc/61/25/76/823612576.db2.gz DRUCVKSUTRYTOG-QHCPKHFHSA-N 1 0 377.488 4.031 20 0 GIADRO CCOC(=O)c1sc2[nH]c([C@H](C)[NH2+][C@@H](CC)c3ccccc3)nc(=O)c2c1C ZINC000411887238 823612991 /nfs/dbraw/zinc/61/29/91/823612991.db2.gz NTHZLIKPKILFLW-ZFWWWQNUSA-N 1 0 399.516 4.272 20 0 GIADRO CCOc1cc(F)ccc1NC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000061772158 823613128 /nfs/dbraw/zinc/61/31/28/823613128.db2.gz IVJXUHANIMNBQD-UHFFFAOYSA-N 1 0 391.512 4.320 20 0 GIADRO C[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000061773478 823613221 /nfs/dbraw/zinc/61/32/21/823613221.db2.gz NPAFGKBLENBKOU-FXAWDEMLSA-N 1 0 385.552 4.085 20 0 GIADRO CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@H](C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000411890536 823613314 /nfs/dbraw/zinc/61/33/14/823613314.db2.gz FDPPTMLQHDYIKC-AFBMGJRZSA-N 1 0 379.287 4.222 20 0 GIADRO CN(CCOc1ccc(Cl)cc1)C(=O)C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000061781232 823613981 /nfs/dbraw/zinc/61/39/81/823613981.db2.gz VGQXKBTTWVTZRK-QGZVFWFLSA-N 1 0 378.925 4.076 20 0 GIADRO CCOc1ccc(NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1OC ZINC000124671039 823615892 /nfs/dbraw/zinc/61/58/92/823615892.db2.gz UXQPYVIXULVONG-IBGZPJMESA-N 1 0 383.492 4.053 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)c2cccnc2SCc2ccc(F)cc2)CC[N@@H+]1C ZINC000124670947 823615969 /nfs/dbraw/zinc/61/59/69/823615969.db2.gz PUGBFEGIGWQWRH-CRAIPNDOSA-N 1 0 387.524 4.068 20 0 GIADRO CC(C)(C)c1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1Cc1cccs1 ZINC000461313851 823615990 /nfs/dbraw/zinc/61/59/90/823615990.db2.gz FZVKWBUENSACII-UHFFFAOYSA-N 1 0 387.597 4.140 20 0 GIADRO CO[C@](C)([C@H](C)[NH2+]Cc1ncc(-c2cccc(Br)c2)o1)C1CC1 ZINC000411954209 823616334 /nfs/dbraw/zinc/61/63/34/823616334.db2.gz STFHMNXLZPUFRR-KPZWWZAWSA-N 1 0 379.298 4.397 20 0 GIADRO Cc1cc(C(=O)[C@H](C)[N@@H+]2C[C@H](O)C[C@@H]2c2ccccc2)c(C)n1Cc1ccco1 ZINC000411954583 823616424 /nfs/dbraw/zinc/61/64/24/823616424.db2.gz UYAVFOYCBNNKTJ-JXHRLWIKSA-N 1 0 392.499 4.125 20 0 GIADRO CO[C@@](C)([C@@H](C)[NH2+]Cc1ncc(-c2ccc(Br)cc2)o1)C1CC1 ZINC000411957561 823616537 /nfs/dbraw/zinc/61/65/37/823616537.db2.gz WIDLPGIOSMSXDJ-XIKOKIGWSA-N 1 0 379.298 4.397 20 0 GIADRO CC[C@H](C)c1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1Cc1cccs1 ZINC000461319148 823617068 /nfs/dbraw/zinc/61/70/68/823617068.db2.gz PBMHJCCTZNMJKD-KRWDZBQOSA-N 1 0 387.597 4.356 20 0 GIADRO CC[C@@H](C)c1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1Cc1cccs1 ZINC000461319149 823617124 /nfs/dbraw/zinc/61/71/24/823617124.db2.gz PBMHJCCTZNMJKD-QGZVFWFLSA-N 1 0 387.597 4.356 20 0 GIADRO Cc1nn(-c2cccc(F)c2)cc1C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000411974819 823617408 /nfs/dbraw/zinc/61/74/08/823617408.db2.gz AWLZCBVWEYCQMS-UHFFFAOYSA-N 1 0 392.478 4.210 20 0 GIADRO Cc1sc2nc([C@@H](C)N3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)[nH]c(=O)c2c1C ZINC000411980465 823617638 /nfs/dbraw/zinc/61/76/38/823617638.db2.gz GSDGVXBAVVAPOP-GOEBONIOSA-N 1 0 396.560 4.281 20 0 GIADRO Cc1ccc(NC(=O)Cc2cccc(OC(F)(F)F)c2)c(OCC[NH+](C)C)c1 ZINC000124694409 823618089 /nfs/dbraw/zinc/61/80/89/823618089.db2.gz WOEUPBOMHMUWCM-UHFFFAOYSA-N 1 0 396.409 4.015 20 0 GIADRO Cc1csc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1Br ZINC000190884874 823619491 /nfs/dbraw/zinc/61/94/91/823619491.db2.gz UVRZTFCPWQPUAV-OAHLLOKOSA-N 1 0 393.350 4.213 20 0 GIADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1oc(CC(C)C)nc1C ZINC000190892165 823620501 /nfs/dbraw/zinc/62/05/01/823620501.db2.gz TUOUZLNMNFQVJQ-LJQANCHMSA-N 1 0 399.535 4.014 20 0 GIADRO CCN(CCC[NH+](C)C)C(=O)Nc1cc(C)nn1-c1cccc(C(F)(F)F)c1 ZINC000190892226 823620558 /nfs/dbraw/zinc/62/05/58/823620558.db2.gz XBORXILDDZGHDZ-UHFFFAOYSA-N 1 0 397.445 4.005 20 0 GIADRO Cc1cc(F)c(Br)cc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000190894729 823620977 /nfs/dbraw/zinc/62/09/77/823620977.db2.gz MRPAQTZSVKOKDZ-KGLIPLIRSA-N 1 0 398.320 4.376 20 0 GIADRO CCN(CC)C(=O)[C@H](c1ccccc1)[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000412004072 823621046 /nfs/dbraw/zinc/62/10/46/823621046.db2.gz YAULTLKIIBHKQM-XZOQPEGZSA-N 1 0 392.543 4.450 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@H]1CCCc2c(O)cccc21 ZINC000190900394 823621810 /nfs/dbraw/zinc/62/18/10/823621810.db2.gz LWMSKTOGZBRMOT-NRFANRHFSA-N 1 0 381.520 4.109 20 0 GIADRO CSc1ccc(OC[C@@H](O)C[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)cc1 ZINC000412007735 823622001 /nfs/dbraw/zinc/62/20/01/823622001.db2.gz DQJFOJUVCJNALJ-UGKGYDQZSA-N 1 0 399.556 4.002 20 0 GIADRO CO[C@H](C[NH2+][C@H](c1ccccc1)C1(CO)CCOCC1)c1ccc(Cl)cc1 ZINC000412010804 823622488 /nfs/dbraw/zinc/62/24/88/823622488.db2.gz MMJPYWVHVORQFR-NHCUHLMSSA-N 1 0 389.923 4.148 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1scc(C)c1Br)c1ccco1 ZINC000190905857 823622578 /nfs/dbraw/zinc/62/25/78/823622578.db2.gz OYLYSGLOVUOWCQ-GFCCVEGCSA-N 1 0 385.327 4.225 20 0 GIADRO CCOc1ccccc1NC(=O)CC[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000412014166 823622682 /nfs/dbraw/zinc/62/26/82/823622682.db2.gz PVPRUPHOJOOPFM-HSZRJFAPSA-N 1 0 394.515 4.268 20 0 GIADRO COC1([C@H](C)[NH2+]CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)CCC1 ZINC000412021605 823623338 /nfs/dbraw/zinc/62/33/38/823623338.db2.gz MWNQCSHGWONPCD-SUMWQHHRSA-N 1 0 385.335 4.204 20 0 GIADRO CO[C@H]1CC[C@@H]([NH2+]Cc2cc(Br)ccc2OCc2ccccn2)C1 ZINC000190913901 823623450 /nfs/dbraw/zinc/62/34/50/823623450.db2.gz RIDXGQFDOIEVPQ-AEFFLSMTSA-N 1 0 391.309 4.080 20 0 GIADRO CC[C@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000412055784 823624601 /nfs/dbraw/zinc/62/46/01/823624601.db2.gz MNJMMCCAHYRGSW-ZWKOTPCHSA-N 1 0 379.342 4.377 20 0 GIADRO COc1ccc(SCCC(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000062230911 823625297 /nfs/dbraw/zinc/62/52/97/823625297.db2.gz SRMIXRWHPKDJBB-HXUWFJFHSA-N 1 0 398.572 4.206 20 0 GIADRO C[C@@H](c1nc(-c2cccnc2)no1)[N@@H+]1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC000412078739 823625974 /nfs/dbraw/zinc/62/59/74/823625974.db2.gz UUASAZDYAZLBSZ-HOTGVXAUSA-N 1 0 386.496 4.027 20 0 GIADRO Cc1ncsc1CCC(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000412096453 823626424 /nfs/dbraw/zinc/62/64/24/823626424.db2.gz UFFLEQJPEZJULU-UHFFFAOYSA-N 1 0 399.604 4.235 20 0 GIADRO Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C[NH2+]C[C@H](C)Cn1ccnc1 ZINC000062254476 823626711 /nfs/dbraw/zinc/62/67/11/823626711.db2.gz XLGMCSMEIFBFPD-AWEZNQCLSA-N 1 0 392.334 4.169 20 0 GIADRO Fc1cc(C[NH2+]Cc2cc(Br)c3c(c2)OCCO3)ccc1Cl ZINC000062256627 823626731 /nfs/dbraw/zinc/62/67/31/823626731.db2.gz SZWQHXGUSRKTSU-UHFFFAOYSA-N 1 0 386.648 4.303 20 0 GIADRO CCn1c(C[NH2+]C2CCN(c3nc4ccccc4s3)CC2)nc2ccccc21 ZINC000062259597 823626946 /nfs/dbraw/zinc/62/69/46/823626946.db2.gz SZXBQRSVZHSZSE-UHFFFAOYSA-N 1 0 391.544 4.425 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2cnc(-c3ccccc3F)s2)C1 ZINC000062260754 823627019 /nfs/dbraw/zinc/62/70/19/823627019.db2.gz BLRFRPGBQAUERR-IYBDPMFKSA-N 1 0 389.540 4.437 20 0 GIADRO CC(C)c1ccc(C(=O)Nc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)cn1 ZINC000124797699 823627123 /nfs/dbraw/zinc/62/71/23/823627123.db2.gz YDCQPOKXIDMCJQ-UHFFFAOYSA-N 1 0 394.519 4.272 20 0 GIADRO Fc1ccc(C2([NH2+]Cc3ccc(OCC(F)F)cc3)CCOCC2)c(F)c1 ZINC000124801325 823627277 /nfs/dbraw/zinc/62/72/77/823627277.db2.gz PTSASAZCBRVMJN-UHFFFAOYSA-N 1 0 383.385 4.404 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+][C@H]1CCC[C@H](C(=O)NC(C)C)C1 ZINC000124805941 823627542 /nfs/dbraw/zinc/62/75/42/823627542.db2.gz JMZNGFULIFQYBT-ZVZYQTTQSA-N 1 0 386.565 4.248 20 0 GIADRO O=C(NCc1nc(C(F)(F)F)cs1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412118320 823627654 /nfs/dbraw/zinc/62/76/54/823627654.db2.gz DWTYUKIMOJQYEN-UHFFFAOYSA-N 1 0 383.439 4.078 20 0 GIADRO O=C(Nc1cccc(N2CCCCCC2)c1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412121300 823628023 /nfs/dbraw/zinc/62/80/23/823628023.db2.gz FDPMAZSLZIJXSZ-OAQYLSRUSA-N 1 0 387.593 4.223 20 0 GIADRO CCOC(=O)Cc1cccc(NC(=O)c2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000412128499 823628334 /nfs/dbraw/zinc/62/83/34/823628334.db2.gz ROQUVGMGWSOIFV-UHFFFAOYSA-N 1 0 380.488 4.030 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(Br)c(F)cc2C)C1 ZINC000190946211 823628501 /nfs/dbraw/zinc/62/85/01/823628501.db2.gz JVRALMHGMUPUFL-ZDUSSCGKSA-N 1 0 386.309 4.092 20 0 GIADRO O=C(Nc1ccc(COC2CCCC2)cc1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412134936 823629021 /nfs/dbraw/zinc/62/90/21/823629021.db2.gz ZGZJGSDVTORYIO-HXUWFJFHSA-N 1 0 388.577 4.302 20 0 GIADRO Fc1ccc(Oc2ccccc2C[NH2+]CCc2nnc3n2CCC3)c(Cl)c1 ZINC000461399722 823629638 /nfs/dbraw/zinc/62/96/38/823629638.db2.gz CKDVHPHLVQJUFZ-UHFFFAOYSA-N 1 0 386.858 4.141 20 0 GIADRO C[N@H+](CCCc1cc(-c2ccccc2)no1)[C@H]1CCCN(CC(C)(C)C)C1=O ZINC000461405120 823630335 /nfs/dbraw/zinc/63/03/35/823630335.db2.gz XNHQOTKFNTVYMO-NRFANRHFSA-N 1 0 383.536 4.243 20 0 GIADRO O=C(C[NH2+]Cc1ccccc1Oc1ccc(F)cc1Cl)NCc1ccco1 ZINC000461407139 823630465 /nfs/dbraw/zinc/63/04/65/823630465.db2.gz YRLUYBLNPIQMDG-UHFFFAOYSA-N 1 0 388.826 4.270 20 0 GIADRO CCS(=O)(=O)CCCCC[N@@H+]1CCc2ccccc2[C@H]1Cc1ccccc1 ZINC000190958861 823630486 /nfs/dbraw/zinc/63/04/86/823630486.db2.gz SDEMNYWPXFLDEW-HSZRJFAPSA-N 1 0 385.573 4.434 20 0 GIADRO Cc1nc2ccc(NC(=O)N(CC[NH+](C)C)Cc3cccc(F)c3)cc2s1 ZINC000062375149 823630752 /nfs/dbraw/zinc/63/07/52/823630752.db2.gz CCUWVWVORFSLTA-UHFFFAOYSA-N 1 0 386.496 4.340 20 0 GIADRO O=C(NC[C@@H]1CCO[C@H]1c1ccccc1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000190960168 823630959 /nfs/dbraw/zinc/63/09/59/823630959.db2.gz UFVFQSLUYAVALQ-GOTSBHOMSA-N 1 0 399.579 4.062 20 0 GIADRO CC(C)Oc1ccccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000062391487 823632164 /nfs/dbraw/zinc/63/21/64/823632164.db2.gz TXRICLMDHVAKJX-UHFFFAOYSA-N 1 0 391.462 4.348 20 0 GIADRO OCC[C@@H]([NH2+]Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1)C1CCOCC1 ZINC000461417801 823632178 /nfs/dbraw/zinc/63/21/78/823632178.db2.gz KQAXZVVQIGIKPY-GOSISDBHSA-N 1 0 383.410 4.233 20 0 GIADRO CC1CCC([NH+]2CCC(N(C)C(=O)c3csc([C@@H]4CCCO4)n3)CC2)CC1 ZINC000124864169 823632270 /nfs/dbraw/zinc/63/22/70/823632270.db2.gz NIXUIMWBVCVJLO-KVWWFHCMSA-N 1 0 391.581 4.110 20 0 GIADRO O=C(c1cccc(C[NH+]2CCCCC2)c1)N(Cc1ccco1)C[C@H]1CCCO1 ZINC000412184668 823633735 /nfs/dbraw/zinc/63/37/35/823633735.db2.gz KNFASLPPJWTJEJ-JOCHJYFZSA-N 1 0 382.504 4.087 20 0 GIADRO COc1ccc(Cl)c(NC(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)c1 ZINC000062411608 823633887 /nfs/dbraw/zinc/63/38/87/823633887.db2.gz LOALSFXUIPIFQJ-UHFFFAOYSA-N 1 0 397.853 4.223 20 0 GIADRO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000412187633 823633976 /nfs/dbraw/zinc/63/39/76/823633976.db2.gz ACBUZMKZGBSYEI-MRXNPFEDSA-N 1 0 399.387 4.096 20 0 GIADRO O=C(c1cccc(C[NH+]2CCCCC2)c1)N(CCc1ccccc1)[C@@H]1CCOC1 ZINC000412186795 823634029 /nfs/dbraw/zinc/63/40/29/823634029.db2.gz AICSYKPVEARVDE-XMMPIXPASA-N 1 0 392.543 4.146 20 0 GIADRO CCC(CC)[C@H](CNC(=O)Nc1ccc(Oc2nccc(C)n2)cc1)[NH+](C)C ZINC000124897946 823634858 /nfs/dbraw/zinc/63/48/58/823634858.db2.gz FOLXNPAXXNQZJY-IBGZPJMESA-N 1 0 385.512 4.065 20 0 GIADRO C[C@@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1)N1CCC(C)CC1 ZINC000062423507 823635009 /nfs/dbraw/zinc/63/50/09/823635009.db2.gz PLYOQSHWAARNAU-FQEVSTJZSA-N 1 0 389.547 4.144 20 0 GIADRO COc1cc(Br)cc(C)c1NC(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000062428237 823635235 /nfs/dbraw/zinc/63/52/35/823635235.db2.gz KWKQPGYSYGWRDA-AWEZNQCLSA-N 1 0 398.345 4.008 20 0 GIADRO CCc1ccc(-c2nc(CC(=O)N3CC[C@@H](C[NH+]4CCCCC4)C3)cs2)cc1 ZINC000461430415 823635547 /nfs/dbraw/zinc/63/55/47/823635547.db2.gz QFSPUDYXADJDRE-IBGZPJMESA-N 1 0 397.588 4.249 20 0 GIADRO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000412209771 823636056 /nfs/dbraw/zinc/63/60/56/823636056.db2.gz YJPBSPGWMAHSCY-OOHWJJMZSA-N 1 0 386.458 4.000 20 0 GIADRO O=C(c1csc2c1CCCC2)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461432994 823636132 /nfs/dbraw/zinc/63/61/32/823636132.db2.gz VLIWIEWQMATVSC-RTBURBONSA-N 1 0 380.557 4.221 20 0 GIADRO Cc1ccc(C[C@H](C)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000461433239 823636229 /nfs/dbraw/zinc/63/62/29/823636229.db2.gz WIZLSGBIWKUAFD-NKKJXINNSA-N 1 0 376.544 4.154 20 0 GIADRO CCC(CC)(C[NH2+]Cc1ccc([S@](C)=O)cc1)c1ccc(OC)c(OC)c1 ZINC000461435274 823636563 /nfs/dbraw/zinc/63/65/63/823636563.db2.gz IBOPAMHPWSZZBQ-MHZLTWQESA-N 1 0 389.561 4.289 20 0 GIADRO O=C(CCc1cc(Cl)cs1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461435399 823636803 /nfs/dbraw/zinc/63/68/03/823636803.db2.gz XPYFECVGVHLLFA-ZWKOTPCHSA-N 1 0 388.964 4.315 20 0 GIADRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1)c1ccc(F)cc1F ZINC000062473404 823636863 /nfs/dbraw/zinc/63/68/63/823636863.db2.gz JYUVJRDQVUDNFA-CYBMUJFWSA-N 1 0 397.416 4.077 20 0 GIADRO CCNc1ccc(Cl)cc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461436266 823637054 /nfs/dbraw/zinc/63/70/54/823637054.db2.gz NXZYWOCKKDFRBQ-RTBURBONSA-N 1 0 397.950 4.366 20 0 GIADRO O=C([C@@H]1C[C@@H]1c1ccc(F)cc1F)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461436735 823637068 /nfs/dbraw/zinc/63/70/68/823637068.db2.gz DHUODJFNGUBMIR-GMQQQROESA-N 1 0 396.481 4.049 20 0 GIADRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1)c1cc2ccccc2o1 ZINC000062475777 823637100 /nfs/dbraw/zinc/63/71/00/823637100.db2.gz ILCHGXQAPSBZQR-MRXNPFEDSA-N 1 0 383.467 4.406 20 0 GIADRO O=C(Cc1ccc(Cl)c(F)c1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461436656 823637132 /nfs/dbraw/zinc/63/71/32/823637132.db2.gz PVGJLIMTXZVFNU-RBUKOAKNSA-N 1 0 386.898 4.002 20 0 GIADRO C[C@H](CC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)Cc1cccc(F)c1 ZINC000461436379 823637193 /nfs/dbraw/zinc/63/71/93/823637193.db2.gz BNQMGAPSZWLGDU-VJBMBRPKSA-N 1 0 394.534 4.375 20 0 GIADRO CC[C@H](NC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)c1nccs1 ZINC000124924277 823637518 /nfs/dbraw/zinc/63/75/18/823637518.db2.gz YNRLTNHGCMQMLG-IBGZPJMESA-N 1 0 386.565 4.470 20 0 GIADRO C[C@H](C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)c1cccc(Cl)c1 ZINC000461439774 823637755 /nfs/dbraw/zinc/63/77/55/823637755.db2.gz UWRSVSBPEVWPFW-DZFGPLHGSA-N 1 0 382.935 4.424 20 0 GIADRO Cc1cc([C@@H]2CN(C(=O)c3cccc(C[NH+]4CCCCC4)c3)CCO2)ccc1F ZINC000412230576 823637911 /nfs/dbraw/zinc/63/79/11/823637911.db2.gz LGRNTUAPWXQEEP-QHCPKHFHSA-N 1 0 396.506 4.334 20 0 GIADRO COc1ccc(-c2ccc(C(=O)N3CC[C@H](C[NH+]4CCCCC4)C3)c(F)c2)cc1 ZINC000461440547 823638041 /nfs/dbraw/zinc/63/80/41/823638041.db2.gz YBFNCQYDVBIPIQ-GOSISDBHSA-N 1 0 396.506 4.449 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)NCC(C)(C)c1ccccc1 ZINC000062486737 823638156 /nfs/dbraw/zinc/63/81/56/823638156.db2.gz VWAXKXFTHTXSQR-UHFFFAOYSA-N 1 0 389.490 4.016 20 0 GIADRO O=C(c1c[nH]cc1-c1ccc(Cl)s1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000461441213 823638186 /nfs/dbraw/zinc/63/81/86/823638186.db2.gz AWTKOHPXGYWFGG-CQSZACIVSA-N 1 0 377.941 4.345 20 0 GIADRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)N[C@@H](c1ccccc1)C(F)(F)F ZINC000062487119 823638416 /nfs/dbraw/zinc/63/84/16/823638416.db2.gz BRUHBVXTCRLLOF-SFHVURJKSA-N 1 0 397.416 4.203 20 0 GIADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000062500979 823638944 /nfs/dbraw/zinc/63/89/44/823638944.db2.gz FTZAHLBPLPZHEC-CEXWTWQISA-N 1 0 396.579 4.423 20 0 GIADRO CCNC(=O)COc1cccc(C[NH2+][C@H](C)c2ccc(SC(F)F)cc2)c1 ZINC000124942196 823639074 /nfs/dbraw/zinc/63/90/74/823639074.db2.gz NNRCSDLVRMTKER-CQSZACIVSA-N 1 0 394.487 4.367 20 0 GIADRO Cc1cc(F)cc2[nH]c(C(=O)N3C[C@@H]4C[N@@H+](Cc5ccccc5)CC[C@@H]4C3)cc21 ZINC000461447401 823639673 /nfs/dbraw/zinc/63/96/73/823639673.db2.gz IIGOUFZDLYQTDE-MOPGFXCFSA-N 1 0 391.490 4.210 20 0 GIADRO CC1(C)C[C@H](C(=O)N2CCC(CCCn3ccnc3)CC2)c2ccccc2O1 ZINC000412251005 823639951 /nfs/dbraw/zinc/63/99/51/823639951.db2.gz VGLCREBDKHRAEC-FQEVSTJZSA-N 1 0 381.520 4.247 20 0 GIADRO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000412251242 823640144 /nfs/dbraw/zinc/64/01/44/823640144.db2.gz NEIRGAPONWTWEI-ZKMOHVOUSA-N 1 0 382.935 4.470 20 0 GIADRO O=C(CCOc1ccc(Cl)c(Cl)c1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000461453256 823640708 /nfs/dbraw/zinc/64/07/08/823640708.db2.gz ZGMHOEGLLNJDAN-HNNXBMFYSA-N 1 0 385.335 4.097 20 0 GIADRO C[C@H]1CCC[N@H+](CCCCNC(=O)N(Cc2c(F)cccc2F)C2CC2)C1 ZINC000191035512 823640712 /nfs/dbraw/zinc/64/07/12/823640712.db2.gz IAKSVFGJFXDCPQ-INIZCTEOSA-N 1 0 379.495 4.151 20 0 GIADRO O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N1CCC(c2ccc(Cl)cc2)CC1 ZINC000412257536 823640738 /nfs/dbraw/zinc/64/07/38/823640738.db2.gz ITVIDXFARLITEQ-FQEVSTJZSA-N 1 0 392.996 4.264 20 0 GIADRO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CCC(c2ccc(Cl)cc2)CC1 ZINC000412257540 823640770 /nfs/dbraw/zinc/64/07/70/823640770.db2.gz ITVIDXFARLITEQ-HXUWFJFHSA-N 1 0 392.996 4.264 20 0 GIADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CC3(CCOCC3)c3ccccc32)C1 ZINC000191037103 823641099 /nfs/dbraw/zinc/64/10/99/823641099.db2.gz GKCDERABZGMSJS-WOJBJXKFSA-N 1 0 399.579 4.023 20 0 GIADRO O=C(c1ccc(C(F)(F)F)cc1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461454192 823641108 /nfs/dbraw/zinc/64/11/08/823641108.db2.gz GQYQPFXKXSJXRW-OALUTQOASA-N 1 0 388.433 4.300 20 0 GIADRO COc1cc([C@@H](C)[NH2+]C[C@@H](O)CC2CCCC2)ccc1OCc1ccncc1 ZINC000191044031 823641580 /nfs/dbraw/zinc/64/15/80/823641580.db2.gz QNJNHCDTSOENAR-UTKZUKDTSA-N 1 0 384.520 4.261 20 0 GIADRO Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412275996 823642318 /nfs/dbraw/zinc/64/23/18/823642318.db2.gz UCKPVVHWYDISEE-KRWDZBQOSA-N 1 0 382.552 4.423 20 0 GIADRO COc1cc(C[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)c2ccccc2n1 ZINC000124987692 823642971 /nfs/dbraw/zinc/64/29/71/823642971.db2.gz TXRYHTZGBFYJHY-UHFFFAOYSA-N 1 0 387.483 4.166 20 0 GIADRO Cc1ccc([C@H](C[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)N2CCCC2)cc1 ZINC000124992866 823643399 /nfs/dbraw/zinc/64/33/99/823643399.db2.gz XZBHVECSJUYDSM-XXBNENTESA-N 1 0 393.531 4.439 20 0 GIADRO O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)C1(Oc2ccccc2F)CC1 ZINC000461469131 823643427 /nfs/dbraw/zinc/64/34/27/823643427.db2.gz HOSYBCQNWQSCSI-HXUWFJFHSA-N 1 0 396.506 4.156 20 0 GIADRO O=C(Cc1cccc(C2CC2)c1)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000412300365 823644383 /nfs/dbraw/zinc/64/43/83/823644383.db2.gz QXYHXIJXUZIDNB-UHFFFAOYSA-N 1 0 380.454 4.028 20 0 GIADRO CCO[C@H]1C[C@H]([NH2+]CC(=O)Nc2c(C)nn(-c3ccccc3)c2C)C1(CC)CC ZINC000191071252 823644960 /nfs/dbraw/zinc/64/49/60/823644960.db2.gz SRFLJGIRKDGDIS-PMACEKPBSA-N 1 0 398.551 4.001 20 0 GIADRO O=C(Nc1ccc2ccc(Cl)cc2n1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412319903 823645969 /nfs/dbraw/zinc/64/59/69/823645969.db2.gz KSXKCYGJURCJTJ-INIZCTEOSA-N 1 0 375.925 4.044 20 0 GIADRO COCC(C)(C)CC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000412332452 823647411 /nfs/dbraw/zinc/64/74/11/823647411.db2.gz PIBPRAYPJUOJQT-ZJVRTDGDSA-N 1 0 392.971 4.433 20 0 GIADRO COc1ccc(OC)c([C@@H](O)C[NH2+][C@H](C)c2nc(-c3ccccc3)cs2)c1 ZINC000125043273 823647500 /nfs/dbraw/zinc/64/75/00/823647500.db2.gz OKVFCUMXELSDNZ-KUHUBIRLSA-N 1 0 384.501 4.212 20 0 GIADRO COc1cccc(CN(CC[NH+](C)C)C(=O)Nc2ccc(OC(C)C)cc2)c1 ZINC000191090469 823647684 /nfs/dbraw/zinc/64/76/84/823647684.db2.gz BQYOQANADDNCDX-UHFFFAOYSA-N 1 0 385.508 4.078 20 0 GIADRO C[C@@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)c1ccc(F)c2ccccc21 ZINC000412336147 823647958 /nfs/dbraw/zinc/64/79/58/823647958.db2.gz JEUOPVYPXMHVQR-NVXWUHKLSA-N 1 0 386.536 4.374 20 0 GIADRO CC(C)[C@@H](CNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)c1ccc(Cl)cc1 ZINC000412339109 823648286 /nfs/dbraw/zinc/64/82/86/823648286.db2.gz OZSMWGGTVMZUFI-VQTJNVASSA-N 1 0 395.012 4.413 20 0 GIADRO COc1ccccc1[C@@H]1C[C@H]1C(=O)NC[C@@H](c1ccc(OC(C)C)cc1)[NH+](C)C ZINC000412342422 823648595 /nfs/dbraw/zinc/64/85/95/823648595.db2.gz ULFLEHSESMEHGW-BDTNDASRSA-N 1 0 396.531 4.005 20 0 GIADRO Cc1cccc(NC(=O)[C@@H](C)Nc2cccc(N3CC[NH+](C(C)C)CC3)c2)c1C ZINC000125062664 823649234 /nfs/dbraw/zinc/64/92/34/823649234.db2.gz ULCFSRDYQBYXBP-HXUWFJFHSA-N 1 0 394.563 4.273 20 0 GIADRO COc1ccc(OC)c([C@@H](O)C[NH2+][C@@H](C)c2cccc(-c3ccncc3)c2)c1 ZINC000125065078 823649517 /nfs/dbraw/zinc/64/95/17/823649517.db2.gz ZMBFARBKBDEVFI-AOMKIAJQSA-N 1 0 378.472 4.150 20 0 GIADRO Cc1csc(N2CCC([NH2+]C3CCN([C@@H](C)c4ccccc4)CC3)CC2)n1 ZINC000125067701 823649647 /nfs/dbraw/zinc/64/96/47/823649647.db2.gz PZPLZXOGTSJDRQ-SFHVURJKSA-N 1 0 384.593 4.236 20 0 GIADRO O=C(CSc1ccccc1Cl)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000063081197 823650485 /nfs/dbraw/zinc/65/04/85/823650485.db2.gz VFNHJTPVGAFSII-UHFFFAOYSA-N 1 0 388.964 4.461 20 0 GIADRO O=C(CCn1ccc2ccccc21)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000063080932 823650582 /nfs/dbraw/zinc/65/05/82/823650582.db2.gz NOYMIDQGNJPFFW-UHFFFAOYSA-N 1 0 375.516 4.060 20 0 GIADRO O=C(Cc1cccc(C(F)(F)F)c1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000063081416 823650696 /nfs/dbraw/zinc/65/06/96/823650696.db2.gz IZFPTJWBIMBQDI-UHFFFAOYSA-N 1 0 390.449 4.276 20 0 GIADRO CCOc1ccc(CCC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000063081839 823650764 /nfs/dbraw/zinc/65/07/64/823650764.db2.gz AJFCWDUYOJSDDC-UHFFFAOYSA-N 1 0 380.532 4.046 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1csc(Cl)c1 ZINC000191128174 823652056 /nfs/dbraw/zinc/65/20/56/823652056.db2.gz QDLMTVRJWCDLKE-CQSZACIVSA-N 1 0 398.981 4.427 20 0 GIADRO CCOc1ccc(CN(C)C(=S)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000063143655 823652502 /nfs/dbraw/zinc/65/25/02/823652502.db2.gz KLJRBWROLVGQLB-UHFFFAOYSA-N 1 0 397.588 4.056 20 0 GIADRO COc1ccc(C)cc1[C@@H](C)NC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000063145293 823652696 /nfs/dbraw/zinc/65/26/96/823652696.db2.gz TWYRTRBYUMDFEM-GOSISDBHSA-N 1 0 397.588 4.193 20 0 GIADRO S=C(Nc1cnc2ccccc2c1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000063146891 823652707 /nfs/dbraw/zinc/65/27/07/823652707.db2.gz YOYWQBFMRKUWNC-UHFFFAOYSA-N 1 0 376.529 4.186 20 0 GIADRO S=C(NCCc1ccc(Cl)s1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000063149397 823652899 /nfs/dbraw/zinc/65/28/99/823652899.db2.gz ARKHDEMQPRWDEZ-UHFFFAOYSA-N 1 0 394.009 4.073 20 0 GIADRO CC[NH+](CC)CCSCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000461523282 823653613 /nfs/dbraw/zinc/65/36/13/823653613.db2.gz ULLLFJFLSYWKHI-INIZCTEOSA-N 1 0 391.562 4.094 20 0 GIADRO COc1cccc(O[C@@H](C)C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2Cl)c1 ZINC000125143608 823654617 /nfs/dbraw/zinc/65/46/17/823654617.db2.gz JLNBCWAFYCZQDK-GJZGRUSLSA-N 1 0 386.883 4.047 20 0 GIADRO CC[N@H+](CCCOc1ccc(S(C)(=O)=O)cc1)[C@H](C)c1ccc(F)cc1 ZINC000063286544 823659946 /nfs/dbraw/zinc/65/99/46/823659946.db2.gz CMHNHVZXOFUJRZ-MRXNPFEDSA-N 1 0 379.497 4.081 20 0 GIADRO CCC[C@H]([NH2+]Cc1ccc(CS(=O)(=O)NC(C)C)cc1)c1ccsc1 ZINC000191219959 823660366 /nfs/dbraw/zinc/66/03/66/823660366.db2.gz YGWINWVQERJSCJ-IBGZPJMESA-N 1 0 380.579 4.207 20 0 GIADRO CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000412546423 823661188 /nfs/dbraw/zinc/66/11/88/823661188.db2.gz JTBSOGHIAAVLQG-UHFFFAOYSA-N 1 0 395.482 4.343 20 0 GIADRO CCN(CCC[NH+](C)C)C(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1C ZINC000191230016 823661494 /nfs/dbraw/zinc/66/14/94/823661494.db2.gz UTVSNUPPJJTWCV-UHFFFAOYSA-N 1 0 382.508 4.053 20 0 GIADRO Cc1cccn2cc(COc3ccc(C[NH2+]CCOc4ccccc4)cc3)nc12 ZINC000063312873 823661795 /nfs/dbraw/zinc/66/17/95/823661795.db2.gz MXYASGHCPDUWGG-UHFFFAOYSA-N 1 0 387.483 4.390 20 0 GIADRO CN(CC(C)(C)C)C(=O)c1cccc(C(=O)Nc2ccc(C[NH+](C)C)cc2F)c1 ZINC000412555631 823661887 /nfs/dbraw/zinc/66/18/87/823661887.db2.gz CJZSKPIFNYTKFL-UHFFFAOYSA-N 1 0 399.510 4.258 20 0 GIADRO Cc1ccc(CC(=O)Nc2ccc(C[NH+](C)C)cc2F)cc1Br ZINC000412559539 823662116 /nfs/dbraw/zinc/66/21/16/823662116.db2.gz NQQIPUNSZRKBCX-UHFFFAOYSA-N 1 0 379.273 4.139 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)Nc3ccc(F)cc3F)CC2)cc1 ZINC000063321242 823662258 /nfs/dbraw/zinc/66/22/58/823662258.db2.gz HVOPTYZLCFNAQM-UHFFFAOYSA-N 1 0 389.446 4.007 20 0 GIADRO Cc1c(C(=O)Nc2ccc(C[NH+](C)C)cc2F)cnn1-c1cc(C)ccc1C ZINC000412560897 823662386 /nfs/dbraw/zinc/66/23/86/823662386.db2.gz RJORYRVUYJYZJK-UHFFFAOYSA-N 1 0 380.467 4.251 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)c1ccc(Cl)cc1Cl ZINC000412562188 823662594 /nfs/dbraw/zinc/66/25/94/823662594.db2.gz HALQMDCJUINVGI-UHFFFAOYSA-N 1 0 383.275 4.195 20 0 GIADRO O[C@@H](C[NH2+]C1(c2cc(C(F)(F)F)ccc2Cl)CC1)COCc1ccco1 ZINC000191250515 823663305 /nfs/dbraw/zinc/66/33/05/823663305.db2.gz GINOXNLFHQQLPS-ZDUSSCGKSA-N 1 0 389.801 4.108 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)NC[C@H](C)c3ccccc3)CC2)cc1 ZINC000063330855 823663316 /nfs/dbraw/zinc/66/33/16/823663316.db2.gz LFJZQBAFCUUBPA-IBGZPJMESA-N 1 0 395.547 4.010 20 0 GIADRO C[NH+](C)Cc1ccc(NC(=O)[C@@]2(Cc3cccc(Cl)c3)CCOC2)c(F)c1 ZINC000412568840 823663345 /nfs/dbraw/zinc/66/33/45/823663345.db2.gz FZMBSOVIPVMAHF-OAQYLSRUSA-N 1 0 390.886 4.129 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)c1coc2cc(C)c(C)cc12 ZINC000412574580 823663832 /nfs/dbraw/zinc/66/38/32/823663832.db2.gz OHAWSQRBQGGIEM-UHFFFAOYSA-N 1 0 382.460 4.251 20 0 GIADRO C[NH+](C)Cc1ccc(NC(=O)C2(Cc3cccc(F)c3)CCOCC2)c(F)c1 ZINC000412580997 823664180 /nfs/dbraw/zinc/66/41/80/823664180.db2.gz QWIVTGSEGHDHAD-UHFFFAOYSA-N 1 0 388.458 4.004 20 0 GIADRO COCCN(C)c1ccc(C[NH2+][C@H](C)c2ccc(-c3cccnc3)cc2)cn1 ZINC000191272117 823665922 /nfs/dbraw/zinc/66/59/22/823665922.db2.gz ZEIOPTCJUUDZGX-GOSISDBHSA-N 1 0 376.504 4.077 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)Nc3ccc(C)cc3C)CC2)cc1 ZINC000063388454 823666319 /nfs/dbraw/zinc/66/63/19/823666319.db2.gz LGBKIGANLMFJTH-UHFFFAOYSA-N 1 0 381.520 4.346 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)Nc3cc(C)cc(C)c3)CC2)cc1 ZINC000063388858 823666322 /nfs/dbraw/zinc/66/63/22/823666322.db2.gz YMFGJIPKHUQMAR-UHFFFAOYSA-N 1 0 381.520 4.346 20 0 GIADRO CN(c1ccc(NC(=O)[C@H](c2ccccc2)C2CC2)cc1)C1CC[NH+](C)CC1 ZINC000125309211 823666673 /nfs/dbraw/zinc/66/66/73/823666673.db2.gz LPBHMJQHEADOHY-HSZRJFAPSA-N 1 0 377.532 4.349 20 0 GIADRO CCCOc1ccc(NC(=O)N(C)C2CC[NH+](CCc3ccccn3)CC2)cc1 ZINC000125308051 823666758 /nfs/dbraw/zinc/66/67/58/823666758.db2.gz RTJLCSPCELKPAQ-UHFFFAOYSA-N 1 0 396.535 4.041 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@@H]2CCN(c3ccccc3Br)C2)cnn1C(C)C ZINC000191281079 823666949 /nfs/dbraw/zinc/66/69/49/823666949.db2.gz SNWVTQQNORPDSE-GOEBONIOSA-N 1 0 391.357 4.464 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@H]2CCN(c3ccccc3OC(F)F)C2)cnn1C(C)C ZINC000191294102 823668352 /nfs/dbraw/zinc/66/83/52/823668352.db2.gz ZREOIDFETFRMEP-HOCLYGCPSA-N 1 0 378.467 4.303 20 0 GIADRO Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000191291958 823668438 /nfs/dbraw/zinc/66/84/38/823668438.db2.gz YQMABSGGCQCNJN-UHFFFAOYSA-N 1 0 395.425 4.273 20 0 GIADRO C[NH+](C)CC1CCC(NC(=O)N[C@@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000125343820 823669473 /nfs/dbraw/zinc/66/94/73/823669473.db2.gz JVEFSMSJWCCUJH-PUJMQQBBSA-N 1 0 381.973 4.297 20 0 GIADRO C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccc(NC(=O)c3cccs3)cc2)CC1 ZINC000125354279 823670143 /nfs/dbraw/zinc/67/01/43/823670143.db2.gz BPIDAIWKNKYRJB-MRXNPFEDSA-N 1 0 397.544 4.089 20 0 GIADRO Cc1c([C@@H](C)[NH2+]C2CCN(c3ccc(N(C)C)cc3)CC2)cnn1C(C)(C)C ZINC000191312308 823670398 /nfs/dbraw/zinc/67/03/98/823670398.db2.gz ZYEXBLDJFPVOQR-QGZVFWFLSA-N 1 0 383.584 4.332 20 0 GIADRO COc1ccc([C@@H](O)C[NH2+][C@H](C)c2cnn(-c3cc(C)ccc3C)c2C)cc1 ZINC000125360923 823670492 /nfs/dbraw/zinc/67/04/92/823670492.db2.gz WYYMVJDKUYFOMT-HXOBKFHXSA-N 1 0 379.504 4.190 20 0 GIADRO CC[NH+](CC)[C@@H](C(=O)NC[C@@H](C)c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000125366154 823670856 /nfs/dbraw/zinc/67/08/56/823670856.db2.gz DCBXHOSQFXMUBW-YLJYHZDGSA-N 1 0 392.503 4.039 20 0 GIADRO CCCN(CCC[NH+](C)C)C(=O)Nc1cccc(C(=O)Nc2ccccc2)c1C ZINC000191346896 823674700 /nfs/dbraw/zinc/67/47/00/823674700.db2.gz GDMPIAXFSDPJNJ-UHFFFAOYSA-N 1 0 396.535 4.443 20 0 GIADRO Cc1nn(C)c(=O)c(-c2nc(C[NH2+][C@@H]3CCC[C@H]3CCC(C)C)cs2)c1C ZINC000191347926 823674841 /nfs/dbraw/zinc/67/48/41/823674841.db2.gz RXMSCNGPJYXMLM-FUHWJXTLSA-N 1 0 388.581 4.215 20 0 GIADRO CSc1ccccc1NC(=O)CC[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000063491964 823675719 /nfs/dbraw/zinc/67/57/19/823675719.db2.gz ABYBQZZJTUTSSO-QFIPXVFZSA-N 1 0 384.545 4.183 20 0 GIADRO CC[C@@H](C(=O)Nc1cc(Cl)ccc1C(=O)N1CCCCC1)[NH+](CC)CC ZINC000461656052 823676010 /nfs/dbraw/zinc/67/60/10/823676010.db2.gz AQABJIXSWBDTLN-SFHVURJKSA-N 1 0 379.932 4.025 20 0 GIADRO COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c2cc3ccccc3o2)c1 ZINC000191362489 823676549 /nfs/dbraw/zinc/67/65/49/823676549.db2.gz YAOUTJMEMIQAQK-JYJNAYRXSA-N 1 0 396.487 4.367 20 0 GIADRO Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c12 ZINC000461660858 823676645 /nfs/dbraw/zinc/67/66/45/823676645.db2.gz HGHNLVNQSQXJLC-HNNXBMFYSA-N 1 0 399.583 4.078 20 0 GIADRO Cc1cc(C)cc(-c2nn(CN3CCC([NH+]4CCCCC4)CC3)c(=S)o2)c1 ZINC000063506942 823676918 /nfs/dbraw/zinc/67/69/18/823676918.db2.gz VHDLIBUMAMKQPT-UHFFFAOYSA-N 1 0 386.565 4.397 20 0 GIADRO CC(C)(C)c1ncc(C[NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)s1 ZINC000063522125 823677408 /nfs/dbraw/zinc/67/74/08/823677408.db2.gz YSZIUKKSAGORRN-UHFFFAOYSA-N 1 0 383.517 4.253 20 0 GIADRO CC(C)c1c(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cnn1-c1cccc(Cl)c1 ZINC000461671678 823678690 /nfs/dbraw/zinc/67/86/90/823678690.db2.gz YMPFQBOGVRYVRX-OAHLLOKOSA-N 1 0 390.959 4.355 20 0 GIADRO O[C@H](C[NH2+]Cc1ccc2ccccc2c1)COc1cccc(C(F)(F)F)c1 ZINC000063548536 823678708 /nfs/dbraw/zinc/67/87/08/823678708.db2.gz YPAZMVDIUWBKES-LJQANCHMSA-N 1 0 375.390 4.388 20 0 GIADRO O[C@@H](C[NH2+]Cc1ccccc1C(F)(F)F)COc1cccc(C(F)(F)F)c1 ZINC000063548634 823678938 /nfs/dbraw/zinc/67/89/38/823678938.db2.gz SMILNCWZFREXQN-AWEZNQCLSA-N 1 0 393.327 4.254 20 0 GIADRO COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]Cc2c(C)noc2C)cc1 ZINC000063550209 823678954 /nfs/dbraw/zinc/67/89/54/823678954.db2.gz FPHBJXCKMDLVKA-UHFFFAOYSA-N 1 0 388.471 4.443 20 0 GIADRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+]Cc3csc4ccccc34)cc2)C[C@H](C)O1 ZINC000063560755 823679414 /nfs/dbraw/zinc/67/94/14/823679414.db2.gz CNJOPQOINCYZNN-CALCHBBNSA-N 1 0 394.540 4.441 20 0 GIADRO CC(C)Oc1ccccc1C[NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000063561422 823679582 /nfs/dbraw/zinc/67/95/82/823679582.db2.gz UKVBIXXDBFXVCD-RTBURBONSA-N 1 0 396.531 4.013 20 0 GIADRO CN1CC[NH+]([C@@H]2CCCCN(C(=O)Nc3ccccc3-c3cccs3)C2)CC1 ZINC000125480203 823679557 /nfs/dbraw/zinc/67/95/57/823679557.db2.gz HCAZDXKFJFKHJK-GOSISDBHSA-N 1 0 398.576 4.049 20 0 GIADRO CC(C)Oc1ccccc1C[NH2+]C[C@H](O)COc1cccc(Cl)c1Cl ZINC000063566088 823679914 /nfs/dbraw/zinc/67/99/14/823679914.db2.gz OFNQCPOTRKVBQU-HNNXBMFYSA-N 1 0 384.303 4.310 20 0 GIADRO Cc1ccc([C@H](OC[C@@H](O)C[N@@H+](C(C)C)C2CCOCC2)c2ccccc2)cc1 ZINC000125491001 823680411 /nfs/dbraw/zinc/68/04/11/823680411.db2.gz YVQSYQOJXWCVRV-LOSJGSFVSA-N 1 0 397.559 4.351 20 0 GIADRO CCCOc1ncccc1C[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000063578986 823680696 /nfs/dbraw/zinc/68/06/96/823680696.db2.gz QKWQJZRBBGIZAA-UHFFFAOYSA-N 1 0 390.409 4.365 20 0 GIADRO O=C([C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC(Nc2ccc(F)cc2)CC1 ZINC000063583853 823681017 /nfs/dbraw/zinc/68/10/17/823681017.db2.gz QMDLTOUEUQVYED-FQEVSTJZSA-N 1 0 395.522 4.141 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)CC[NH+]1CCC(OC2CCCCC2)CC1 ZINC000125499854 823681093 /nfs/dbraw/zinc/68/10/93/823681093.db2.gz RYKVVGWTTFVNOM-UHFFFAOYSA-N 1 0 394.943 4.491 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@@H](CC(C)C)C(=O)Nc2nccs2)cnn1C(C)(C)C ZINC000191408400 823681784 /nfs/dbraw/zinc/68/17/84/823681784.db2.gz BMBYDNIOYKCCDQ-BBRMVZONSA-N 1 0 377.558 4.107 20 0 GIADRO Cc1ccc(CCCCC(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)cc1 ZINC000063599995 823682411 /nfs/dbraw/zinc/68/24/11/823682411.db2.gz RZCSHBAEDLVHAM-UHFFFAOYSA-N 1 0 381.520 4.237 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)N[C@@H]2COc3cccc(Cl)c32)C1 ZINC000461697362 823683197 /nfs/dbraw/zinc/68/31/97/823683197.db2.gz CWHZYGVCDSADNO-JFIYKMOQSA-N 1 0 391.943 4.070 20 0 GIADRO CSc1cccc(N(C(=O)c2scnc2C2CC2)C2CC[NH+](C)CC2)c1 ZINC000125536655 823683440 /nfs/dbraw/zinc/68/34/40/823683440.db2.gz YRZPBQJGTNWNRL-UHFFFAOYSA-N 1 0 387.574 4.483 20 0 GIADRO CCOC(=O)Nc1ccc2c(C[N@@H+]3CCC[C@H]3c3ccncc3)cc(=O)oc2c1 ZINC000125547614 823684268 /nfs/dbraw/zinc/68/42/68/823684268.db2.gz GUWWDNBRZBEMMR-IBGZPJMESA-N 1 0 393.443 4.094 20 0 GIADRO Cc1cccc(NC2CCN(C(=O)N[C@H](C)C[N@H+](C)Cc3ccccc3)CC2)c1 ZINC000461718339 823686966 /nfs/dbraw/zinc/68/69/66/823686966.db2.gz XDMMWKDQHFVEJX-HXUWFJFHSA-N 1 0 394.563 4.101 20 0 GIADRO C[C@H]([NH2+]Cc1nccn1-c1ccccc1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000191456170 823687214 /nfs/dbraw/zinc/68/72/14/823687214.db2.gz JBPCNRKWDRLVRH-CYFREDJKSA-N 1 0 391.515 4.287 20 0 GIADRO CC(C)N(C)c1ccc(C[NH2+][C@@H](C)[C@H](OC2CCOCC2)c2ccccc2)cn1 ZINC000191456429 823687416 /nfs/dbraw/zinc/68/74/16/823687416.db2.gz YTQMDLXYVFXSRQ-CYFREDJKSA-N 1 0 397.563 4.341 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(Br)o1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000191456399 823687435 /nfs/dbraw/zinc/68/74/35/823687435.db2.gz SOJUONMRTJVVMG-IFXJQAMLSA-N 1 0 394.309 4.457 20 0 GIADRO CC1CCN(c2ccc(NC(=O)c3ccccc3OCC[NH+](C)C)cc2)CC1 ZINC000063665751 823687760 /nfs/dbraw/zinc/68/77/60/823687760.db2.gz OLUWMCOAQXSTLE-UHFFFAOYSA-N 1 0 381.520 4.116 20 0 GIADRO CC[N@@H+]1CCC[C@H]1CNC(=S)Nc1ccc(OC2CCCC2)c(Cl)c1 ZINC000063674263 823688403 /nfs/dbraw/zinc/68/84/03/823688403.db2.gz SVTXASOBQJKLQO-HNNXBMFYSA-N 1 0 381.973 4.432 20 0 GIADRO C[C@H](C(=O)NC[C@@H](c1cccs1)[NH+](C)C)c1cccc(Br)c1 ZINC000461730771 823688761 /nfs/dbraw/zinc/68/87/61/823688761.db2.gz UZBMVAXUYJOEHK-WFASDCNBSA-N 1 0 381.339 4.033 20 0 GIADRO CCCn1ccnc1CCC[N@H+](C)[C@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000191474169 823689025 /nfs/dbraw/zinc/68/90/25/823689025.db2.gz UQDVLWQXDUZFTB-MRXNPFEDSA-N 1 0 385.487 4.416 20 0 GIADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)Cc2csc(-c3ccccc3Cl)n2)C1 ZINC000063695129 823689986 /nfs/dbraw/zinc/68/99/86/823689986.db2.gz CQOVXMNUXRNXNI-HNNXBMFYSA-N 1 0 391.968 4.243 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1sc(C(F)(F)F)nc1C)c1ccccc1 ZINC000461745431 823690968 /nfs/dbraw/zinc/69/09/68/823690968.db2.gz JPPAZASMLQCBJQ-CQSZACIVSA-N 1 0 385.455 4.283 20 0 GIADRO Cc1c([C@@H](C)[NH2+]CC2(C)CCN(C(=O)OC(C)(C)C)CC2)cnn1C(C)C ZINC000191496252 823691418 /nfs/dbraw/zinc/69/14/18/823691418.db2.gz KYGOUEFGMKYHSN-MRXNPFEDSA-N 1 0 378.561 4.460 20 0 GIADRO CC(C)[NH+]1CCC(NC(=O)C[C@@H](C)c2ccc(F)c(Br)c2)CC1 ZINC000461749432 823691476 /nfs/dbraw/zinc/69/14/76/823691476.db2.gz MOFXIQOUWINUCT-CYBMUJFWSA-N 1 0 385.321 4.071 20 0 GIADRO C[C@H](NC(=O)NC1CC[NH+](C2CC2)CC1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000125630589 823691532 /nfs/dbraw/zinc/69/15/32/823691532.db2.gz ABJWCJGDIHNKSX-KGLIPLIRSA-N 1 0 383.458 4.123 20 0 GIADRO Cc1nsc(N2CCCN(c3cc[nH+]c4cc(C(F)(F)F)ccc43)CC2)n1 ZINC000125630083 823691546 /nfs/dbraw/zinc/69/15/46/823691546.db2.gz ABAFHOJALLPIOO-UHFFFAOYSA-N 1 0 393.438 4.130 20 0 GIADRO CCCn1ccnc1CCC[N@H+](C)[C@H](C)C(=O)Nc1cccc(Cl)c1Cl ZINC000191497852 823691599 /nfs/dbraw/zinc/69/15/99/823691599.db2.gz JYESUKFMXKHNPK-CQSZACIVSA-N 1 0 397.350 4.492 20 0 GIADRO Cc1ccc(C(=O)c2ccccc2C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cc1C ZINC000063723632 823691693 /nfs/dbraw/zinc/69/16/93/823691693.db2.gz AYDJZMBXKVGALN-UHFFFAOYSA-N 1 0 392.543 4.481 20 0 GIADRO Cc1cccc(C[NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)n1 ZINC000191498642 823691809 /nfs/dbraw/zinc/69/18/09/823691809.db2.gz VVWSCPNVZJSWQI-IBGZPJMESA-N 1 0 375.310 4.410 20 0 GIADRO Cc1cc(Br)ccc1SCC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000063726336 823692167 /nfs/dbraw/zinc/69/21/67/823692167.db2.gz CXBGTMUDOLCIDM-UHFFFAOYSA-N 1 0 399.398 4.182 20 0 GIADRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)CC1 ZINC000063727615 823692188 /nfs/dbraw/zinc/69/21/88/823692188.db2.gz NVBHUEJCQBVJOI-UHFFFAOYSA-N 1 0 395.334 4.126 20 0 GIADRO C[C@@H](CNC(=O)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1)[NH+]1CCCC1 ZINC000063732977 823692536 /nfs/dbraw/zinc/69/25/36/823692536.db2.gz FRJPRGJDWZKZSJ-INIZCTEOSA-N 1 0 393.462 4.362 20 0 GIADRO C[NH+](C)C1CCN(C(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1 ZINC000063735111 823692648 /nfs/dbraw/zinc/69/26/48/823692648.db2.gz BESXWDPDVIWPFC-UHFFFAOYSA-N 1 0 388.596 4.472 20 0 GIADRO COc1ccc2c(c1)oc(C(=O)N1CCC([NH+](C)C)CC1)c2-c1ccccc1 ZINC000063734632 823692692 /nfs/dbraw/zinc/69/26/92/823692692.db2.gz UXDLZCTXJCQYBH-UHFFFAOYSA-N 1 0 378.472 4.275 20 0 GIADRO CCOC(=O)N1CCC([NH2+][C@H](C)c2cnn(-c3cc(C)ccc3C)c2C)CC1 ZINC000125646430 823693138 /nfs/dbraw/zinc/69/31/38/823693138.db2.gz PAWSZQCAFDBXKD-QGZVFWFLSA-N 1 0 384.524 4.069 20 0 GIADRO O=C(CCC(=O)N1CCC(C[NH+]2CCCCCC2)CC1)c1ccc2c(c1)CCC2 ZINC000063745662 823693374 /nfs/dbraw/zinc/69/33/74/823693374.db2.gz LLOITIYGBFKWDZ-UHFFFAOYSA-N 1 0 396.575 4.253 20 0 GIADRO CCCc1c(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)cnn1Cc1ccccc1 ZINC000063758292 823693807 /nfs/dbraw/zinc/69/38/07/823693807.db2.gz VWWRRKILHDBDFS-HXUWFJFHSA-N 1 0 396.579 4.126 20 0 GIADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2cc3cc(Br)ccc3o2)C1 ZINC000063758322 823693813 /nfs/dbraw/zinc/69/38/13/823693813.db2.gz XBHWQKKUZMDCDC-CQSZACIVSA-N 1 0 393.325 4.437 20 0 GIADRO COc1ccc([C@H](CCO)[NH2+]Cc2cc(Br)c(Cl)s2)cc1 ZINC000191511434 823693825 /nfs/dbraw/zinc/69/38/25/823693825.db2.gz YHSOHSOZWUBXFK-AWEZNQCLSA-N 1 0 390.730 4.386 20 0 GIADRO Cc1ccc(C(=O)NC2CC[NH+](CCSc3ccccc3F)CC2)s1 ZINC000125655136 823693923 /nfs/dbraw/zinc/69/39/23/823693923.db2.gz ZVMRESVVGCTPKR-UHFFFAOYSA-N 1 0 378.538 4.182 20 0 GIADRO C[N@H+](CCCCCc1cc(-c2cccc(F)c2)no1)CC(=O)NC1CCCC1 ZINC000063763863 823694150 /nfs/dbraw/zinc/69/41/50/823694150.db2.gz BPHMVTIWOOOIKH-UHFFFAOYSA-N 1 0 387.499 4.184 20 0 GIADRO COc1ccccc1-c1csc(C2CC[NH+](CCCn3ccnc3)CC2)n1 ZINC000191518589 823694588 /nfs/dbraw/zinc/69/45/88/823694588.db2.gz UMXZONUXJWUNTM-UHFFFAOYSA-N 1 0 382.533 4.285 20 0 GIADRO COc1ccccc1Nc1ncccc1C(=O)N(C)CC[N@H+](C)C1CCCCC1 ZINC000063771802 823694747 /nfs/dbraw/zinc/69/47/47/823694747.db2.gz LMNWRSBZQMJCMW-UHFFFAOYSA-N 1 0 396.535 4.170 20 0 GIADRO C[C@H](CNC(=O)Cc1csc(-c2ccc(Cl)s2)n1)C[NH+]1CCCCC1 ZINC000063781389 823695409 /nfs/dbraw/zinc/69/54/09/823695409.db2.gz XUBVBTMEKJUZDB-CYBMUJFWSA-N 1 0 397.997 4.306 20 0 GIADRO Cc1ccc(C[NH2+][C@@H]2CCCOc3ccc(F)cc32)c(-n2cc(Cl)cn2)n1 ZINC000191529622 823695965 /nfs/dbraw/zinc/69/59/65/823695965.db2.gz RDIQKWFKYFRXIK-GOSISDBHSA-N 1 0 386.858 4.372 20 0 GIADRO CCCCN(Cc1ccccc1F)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000063788050 823696059 /nfs/dbraw/zinc/69/60/59/823696059.db2.gz IFFMYZBCUVMILC-UHFFFAOYSA-N 1 0 398.526 4.197 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+]CCCC(=O)N1CCc3ccccc31)CCS2 ZINC000191530392 823696155 /nfs/dbraw/zinc/69/61/55/823696155.db2.gz IIPHJMLFCJQRHN-LJQANCHMSA-N 1 0 382.529 4.191 20 0 GIADRO COCC[C@H](Cc1cccc(F)c1)[NH2+][C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000191531524 823696356 /nfs/dbraw/zinc/69/63/56/823696356.db2.gz BHIZSDJGGJCKCM-AUUYWEPGSA-N 1 0 387.430 4.313 20 0 GIADRO CCCC[N@H+](C)C[C@H](C)NC(=O)N(Cc1ccco1)Cc1ccc(C)s1 ZINC000461794910 823696467 /nfs/dbraw/zinc/69/64/67/823696467.db2.gz BVROPVMKEYHYOB-INIZCTEOSA-N 1 0 377.554 4.482 20 0 GIADRO Cc1ccc(C[NH2+][C@@H](C)CC(=O)Nc2ccccc2C)c(-n2cc(Cl)cn2)n1 ZINC000191533172 823696726 /nfs/dbraw/zinc/69/67/26/823696726.db2.gz QFCXTPZCDSRFMD-INIZCTEOSA-N 1 0 397.910 4.044 20 0 GIADRO COCCC1(C[NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)CC1 ZINC000191535453 823696933 /nfs/dbraw/zinc/69/69/33/823696933.db2.gz SNASUKRTRUJDKD-SFHVURJKSA-N 1 0 382.342 4.323 20 0 GIADRO C[C@H]1CCCN(c2cc(-c3nc(-c4ccc(C[NH+](C)C)cc4)no3)ccn2)C1 ZINC000461799716 823697199 /nfs/dbraw/zinc/69/71/99/823697199.db2.gz GGTWUMZWCGAVNB-INIZCTEOSA-N 1 0 377.492 4.097 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+]C1CCN([C@H](C)c3ccncc3)CC1)CCS2 ZINC000191536447 823697215 /nfs/dbraw/zinc/69/72/15/823697215.db2.gz XUPSHUXERPFSJT-IIBYNOLFSA-N 1 0 383.561 4.442 20 0 GIADRO COc1cc(CNc2ccc(CC[NH+](C)C)cc2)ccc1OCc1ccncc1 ZINC000125697120 823697688 /nfs/dbraw/zinc/69/76/88/823697688.db2.gz RAGXCKQNYZDYAY-UHFFFAOYSA-N 1 0 391.515 4.385 20 0 GIADRO CCOC(=O)N1CCC([NH2+][C@H]2CCSc3ccc(Br)cc32)CC1 ZINC000125698433 823697907 /nfs/dbraw/zinc/69/79/07/823697907.db2.gz QPGUWQLLRDHOGN-HNNXBMFYSA-N 1 0 399.354 4.197 20 0 GIADRO CCOC(=O)c1csc(CC[NH2+][C@H](C)c2ccccc2OC(F)(F)F)n1 ZINC000191561129 823699933 /nfs/dbraw/zinc/69/99/33/823699933.db2.gz ZQNQUVGOGVLTEB-LLVKDONJSA-N 1 0 388.411 4.112 20 0 GIADRO CCOC(=O)c1csc(CC[NH2+][C@@H]2CCc3c2ccc(Cl)c3Cl)n1 ZINC000191562183 823699979 /nfs/dbraw/zinc/69/99/79/823699979.db2.gz QHALEELCPCGAAB-CYBMUJFWSA-N 1 0 385.316 4.446 20 0 GIADRO CC(C)[NH+]1CCC(NC(=O)Nc2ncccc2O[C@@H](C)c2ccccc2)CC1 ZINC000163297078 823700235 /nfs/dbraw/zinc/70/02/35/823700235.db2.gz IUSDMTWOUSOGCA-KRWDZBQOSA-N 1 0 382.508 4.216 20 0 GIADRO CCOC(=O)c1csc(CC[NH2+][C@@H](C)c2cc(C)ccc2OC(F)F)n1 ZINC000191564377 823700275 /nfs/dbraw/zinc/70/02/75/823700275.db2.gz GNPGPIDDNJTGEV-LBPRGKRZSA-N 1 0 384.448 4.123 20 0 GIADRO COc1cccc(-c2noc([C@H](C)N[C@H]3CC[N@@H+]([C@H](C)c4ccccc4)C3)n2)c1 ZINC000191564277 823700341 /nfs/dbraw/zinc/70/03/41/823700341.db2.gz NDFYEAIMMDGGAS-QKLQHJQFSA-N 1 0 392.503 4.231 20 0 GIADRO COc1ccc([C@H]2CCCN2C(=O)C[NH2+]C(C)(C)CC(C)(C)C)cc1OC ZINC000125725960 823700585 /nfs/dbraw/zinc/70/05/85/823700585.db2.gz ASLXQKXDFJNGMV-QGZVFWFLSA-N 1 0 376.541 4.172 20 0 GIADRO Cc1ccc(C[NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1Br ZINC000163302924 823700670 /nfs/dbraw/zinc/70/06/70/823700670.db2.gz RBZRISCYEPBHSD-CYBMUJFWSA-N 1 0 382.323 4.012 20 0 GIADRO Cc1cnc(CC[NH2+]C2(c3cccc(Br)c3)CCOCC2)c(C)c1 ZINC000574317492 823701797 /nfs/dbraw/zinc/70/17/97/823701797.db2.gz VXKWKNMDLIGRTJ-UHFFFAOYSA-N 1 0 389.337 4.299 20 0 GIADRO COC[C@H](C)Oc1ccc(Cl)cc1NC1CC[NH+](Cc2cccnc2)CC1 ZINC000191576605 823703172 /nfs/dbraw/zinc/70/31/72/823703172.db2.gz OOMSQKLUVHQHKB-INIZCTEOSA-N 1 0 389.927 4.225 20 0 GIADRO CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1c(F)cc(F)cc1Br ZINC000163352829 823703368 /nfs/dbraw/zinc/70/33/68/823703368.db2.gz RDNFSRCKQRZMAU-HZMBPMFUSA-N 1 0 375.257 4.224 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)CS1 ZINC000413087680 823704998 /nfs/dbraw/zinc/70/49/98/823704998.db2.gz VJXUXNFNPGCNKV-UZLBHIALSA-N 1 0 383.561 4.108 20 0 GIADRO CS(=O)(=O)Cc1ccc(C[NH2+][C@H]2CCCCc3ccc(Cl)cc32)cc1 ZINC000125760651 823705371 /nfs/dbraw/zinc/70/53/71/823705371.db2.gz ZCHVGLBBLHVPJW-FQEVSTJZSA-N 1 0 377.937 4.442 20 0 GIADRO CC[NH+](CC)CCCCNC(=O)C(C)(C)c1csc(-c2ccccc2F)n1 ZINC000574343705 823705415 /nfs/dbraw/zinc/70/54/15/823705415.db2.gz QIZGRDFNWSMYQH-UHFFFAOYSA-N 1 0 391.556 4.465 20 0 GIADRO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@@H]1CCC[C@H](O)C1 ZINC000163397718 823706077 /nfs/dbraw/zinc/70/60/77/823706077.db2.gz UEHKNEYJZYFBSC-BZPMIXESSA-N 1 0 392.849 4.217 20 0 GIADRO C[C@H](N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)c1nc(Cc2ccccc2)no1 ZINC000191596775 823707426 /nfs/dbraw/zinc/70/74/26/823707426.db2.gz CAUSTKPRVNAXQL-WFXMLNOXSA-N 1 0 376.504 4.147 20 0 GIADRO Brc1ccccc1-n1cc(C[NH2+]C2CC(c3ccccc3)C2)nn1 ZINC000574358009 823707610 /nfs/dbraw/zinc/70/76/10/823707610.db2.gz GHTCHNCTWQIPQB-UHFFFAOYSA-N 1 0 383.293 4.066 20 0 GIADRO C[C@H](NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)c1nc(Cc2ccccc2)no1 ZINC000191598833 823708085 /nfs/dbraw/zinc/70/80/85/823708085.db2.gz PTTJKGHBGAZXID-LQWHRVPQSA-N 1 0 382.552 4.354 20 0 GIADRO CC(C)CC(=O)N1CCC([NH2+][C@H](C)c2ccc(F)cc2Br)CC1 ZINC000163425827 823708233 /nfs/dbraw/zinc/70/82/33/823708233.db2.gz PQZVRSQKHPDTSO-CYBMUJFWSA-N 1 0 385.321 4.276 20 0 GIADRO CCOCC(C)(C)C[NH2+][C@@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1 ZINC000574362151 823708819 /nfs/dbraw/zinc/70/88/19/823708819.db2.gz FBRAXWDKYFXQOO-OAQYLSRUSA-N 1 0 384.520 4.336 20 0 GIADRO Cc1ccc(C)c([C@H]2CCCN2Cn2nc(-c3ccccn3)n(C)c2=S)c1 ZINC000163435344 823708899 /nfs/dbraw/zinc/70/88/99/823708899.db2.gz PYTUSXZZZZGNKX-LJQANCHMSA-N 1 0 379.533 4.425 20 0 GIADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000125782454 823709346 /nfs/dbraw/zinc/70/93/46/823709346.db2.gz AIBHTKOEFLDEKQ-GOSISDBHSA-N 1 0 398.532 4.055 20 0 GIADRO CCCN(CC(=O)Nc1ccccc1C)C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000063915155 823710501 /nfs/dbraw/zinc/71/05/01/823710501.db2.gz DURPWUNORLXBRK-UHFFFAOYSA-N 1 0 393.531 4.082 20 0 GIADRO CC(C)NC(=O)Nc1ccc(NC(=O)c2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000063915092 823710537 /nfs/dbraw/zinc/71/05/37/823710537.db2.gz LQUNJLRXNUXKML-UHFFFAOYSA-N 1 0 380.492 4.065 20 0 GIADRO NC(=O)C[C@H]1CCC[N@H+](Cc2ccccc2Oc2ccc(F)cc2Cl)C1 ZINC000461840472 823710562 /nfs/dbraw/zinc/71/05/62/823710562.db2.gz UWDIQEXXOFXRQA-CQSZACIVSA-N 1 0 376.859 4.359 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+]C2CCN(C(=O)CC(C)C)CC2)cc1OCC ZINC000163453719 823711036 /nfs/dbraw/zinc/71/10/36/823711036.db2.gz UYSOKNWDMXVBLG-QGZVFWFLSA-N 1 0 376.541 4.172 20 0 GIADRO Cc1nc(-c2cc([C@H](C)[NH2+][C@@H]3CCO[C@@H](c4nccn4C)C3)cs2)cs1 ZINC000574372626 823711933 /nfs/dbraw/zinc/71/19/33/823711933.db2.gz BDBVMHCPZMHXGE-XGWLTEMNSA-N 1 0 388.562 4.484 20 0 GIADRO Cc1noc(C)c1CCCNC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000125798338 823712836 /nfs/dbraw/zinc/71/28/36/823712836.db2.gz VEBRQCGBYBSKHD-UHFFFAOYSA-N 1 0 398.551 4.099 20 0 GIADRO CCc1c(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cnn1-c1cccc(Cl)c1 ZINC000191616518 823713883 /nfs/dbraw/zinc/71/38/83/823713883.db2.gz BINHDAZBDBQFLI-ZBFHGGJFSA-N 1 0 389.931 4.035 20 0 GIADRO Cc1nsc(C)c1-c1noc(-c2ccc(N3CC[NH+](C(C)C)CC3)cc2)n1 ZINC000574382645 823715042 /nfs/dbraw/zinc/71/50/42/823715042.db2.gz NPRPTGSKHLABPO-UHFFFAOYSA-N 1 0 383.521 4.007 20 0 GIADRO CCc1noc(-c2ccc(C)c(NC(=O)N3CCC([NH+]4CCCCC4)CC3)c2)n1 ZINC000574385129 823715744 /nfs/dbraw/zinc/71/57/44/823715744.db2.gz IOFVBZAGOKVZBI-UHFFFAOYSA-N 1 0 397.523 4.090 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1ccc(C2CC2)cc1 ZINC000191621166 823716475 /nfs/dbraw/zinc/71/64/75/823716475.db2.gz UXAYQCNWRNYLJI-OAQYLSRUSA-N 1 0 377.532 4.228 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000574397429 823719203 /nfs/dbraw/zinc/71/92/03/823719203.db2.gz SDXIWRWVEUQQTK-YLQAJVPDSA-N 1 0 375.513 4.342 20 0 GIADRO COc1ccc(C[NH+]2CCC(c3noc(-c4ccccc4OC)n3)CC2)cc1 ZINC000191632774 823719535 /nfs/dbraw/zinc/71/95/35/823719535.db2.gz XGJKFEHZKNSQCN-UHFFFAOYSA-N 1 0 379.460 4.133 20 0 GIADRO Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)NCCC[NH2+]C(C)C ZINC000574398204 823719671 /nfs/dbraw/zinc/71/96/71/823719671.db2.gz UHLHYCSPBSRCPL-UHFFFAOYSA-N 1 0 375.516 4.257 20 0 GIADRO CCc1c(NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)cnn1-c1ccccc1C ZINC000191633647 823720201 /nfs/dbraw/zinc/72/02/01/823720201.db2.gz CTMGOPFYBSPJJB-UHFFFAOYSA-N 1 0 395.551 4.225 20 0 GIADRO CCC[N@H+](CC)Cc1ccc(C(=O)Nc2cnc(C(=O)OC)c(Cl)c2)cc1 ZINC000574404119 823720712 /nfs/dbraw/zinc/72/07/12/823720712.db2.gz LCMJAZXQQRVAEK-UHFFFAOYSA-N 1 0 389.883 4.006 20 0 GIADRO C[NH+](C)CCN(Cc1ccccn1)c1nc(C(F)F)nc2ccc(Cl)cc21 ZINC000413198620 823726384 /nfs/dbraw/zinc/72/63/84/823726384.db2.gz IGPSCVAWWILKKH-UHFFFAOYSA-N 1 0 391.853 4.184 20 0 GIADRO Oc1cccc2c1CCC[C@H]2[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000191660187 823726449 /nfs/dbraw/zinc/72/64/49/823726449.db2.gz IHKJXEHYUBLASA-OAHLLOKOSA-N 1 0 376.250 4.051 20 0 GIADRO COc1ccc(OCc2nc(C[NH2+]C[C@@](C)(O)C3CCCCC3)cs2)cc1 ZINC000191669422 823727983 /nfs/dbraw/zinc/72/79/83/823727983.db2.gz GSXYXZGULZNWAZ-OAQYLSRUSA-N 1 0 390.549 4.152 20 0 GIADRO Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+]Cc1ccc(C(F)(F)F)cc1C ZINC000191670923 823728794 /nfs/dbraw/zinc/72/87/94/823728794.db2.gz DEUPNAZMINSUBV-UHFFFAOYSA-N 1 0 397.441 4.069 20 0 GIADRO COC1CCN(CC[NH2+][C@@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000163640521 823730838 /nfs/dbraw/zinc/73/08/38/823730838.db2.gz IPTIZWOGDHXPSO-LBPRGKRZSA-N 1 0 398.391 4.486 20 0 GIADRO CC(C)(C)OCc1cccc(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000125859398 823731195 /nfs/dbraw/zinc/73/11/95/823731195.db2.gz YQHGSOAWTZVUBR-IFMALSPDSA-N 1 0 399.579 4.160 20 0 GIADRO CC[C@H](CNC(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1)CC(F)(F)F ZINC000413221350 823732149 /nfs/dbraw/zinc/73/21/49/823732149.db2.gz SZBQEGYPTZJLTG-LSDHHAIUSA-N 1 0 375.435 4.003 20 0 GIADRO O=C(CCCc1ccccc1Br)NC1CC[NH+](C2CCCC2)CC1 ZINC000125865248 823732270 /nfs/dbraw/zinc/73/22/70/823732270.db2.gz XOXHMIHVFYNYQB-UHFFFAOYSA-N 1 0 393.369 4.295 20 0 GIADRO Cc1cccc(-c2nnc(-c3ccc(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)cc3)o2)c1 ZINC000574447806 823733222 /nfs/dbraw/zinc/73/32/22/823733222.db2.gz ZRFWJOOQXCYZFI-KRWDZBQOSA-N 1 0 392.503 4.171 20 0 GIADRO O=C(Nc1ccc(-c2cn3cccnc3n2)cc1)c1cccc(C[NH+]2CCCC2)c1 ZINC000064027268 823736058 /nfs/dbraw/zinc/73/60/58/823736058.db2.gz RIGXRQZTMLSIET-UHFFFAOYSA-N 1 0 397.482 4.244 20 0 GIADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(C3SCCS3)cc2)C1 ZINC000163685865 823736730 /nfs/dbraw/zinc/73/67/30/823736730.db2.gz OIODCTTXQNMAFY-MRXNPFEDSA-N 1 0 378.607 4.263 20 0 GIADRO C[C@@H]([NH2+][C@@H](CN1CCOCC1)c1ccccc1)c1ccc(Br)s1 ZINC000163687906 823737532 /nfs/dbraw/zinc/73/75/32/823737532.db2.gz OIUHFIOMFITTPY-ZBFHGGJFSA-N 1 0 395.366 4.235 20 0 GIADRO FC(F)(F)c1cnc(N2CC[C@@H]([NH2+]C3Cc4ccccc4C3)C2)c(Cl)c1 ZINC000461883696 823737669 /nfs/dbraw/zinc/73/76/69/823737669.db2.gz PBPUVWAXJHEPTN-OAHLLOKOSA-N 1 0 381.829 4.090 20 0 GIADRO C[C@H](Oc1cccnc1NC(=O)N1CCC[C@H]([NH+](C)C)CC1)c1ccccc1 ZINC000574467871 823738079 /nfs/dbraw/zinc/73/80/79/823738079.db2.gz RTLZJUZZHIVZLM-HKUYNNGSSA-N 1 0 382.508 4.170 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)c1ccc(Br)s1 ZINC000163700449 823739215 /nfs/dbraw/zinc/73/92/15/823739215.db2.gz BHMIBVOVAQQVHL-CQSZACIVSA-N 1 0 395.366 4.194 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1cc(-c2ccccc2)ns1 ZINC000461890396 823740370 /nfs/dbraw/zinc/74/03/70/823740370.db2.gz RENKVTLNUOYNBA-UHFFFAOYSA-N 1 0 395.503 4.344 20 0 GIADRO COC(=O)c1cccc(C[NH2+][C@](C)(c2ccc(Br)cc2)C(C)C)n1 ZINC000574479096 823741373 /nfs/dbraw/zinc/74/13/73/823741373.db2.gz DHKWGKBGWRGKGH-IBGZPJMESA-N 1 0 391.309 4.292 20 0 GIADRO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]Cc1cccc(CN2CCOCC2)c1 ZINC000163736773 823743394 /nfs/dbraw/zinc/74/33/94/823743394.db2.gz SWCSBOIPJWKKOC-INIZCTEOSA-N 1 0 387.593 4.432 20 0 GIADRO C[C@@H]([NH2+][C@H](CN1CCOCC1)c1ccccc1)c1ccc(F)cc1OC(F)F ZINC000163741738 823743907 /nfs/dbraw/zinc/74/39/07/823743907.db2.gz ZAZLOLRTMMGFGA-DNVCBOLYSA-N 1 0 394.437 4.151 20 0 GIADRO CCNC(=O)c1ccc(C[NH2+][C@H](C)c2ccc(Br)cc2F)cc1 ZINC000125916594 823743797 /nfs/dbraw/zinc/74/37/97/823743797.db2.gz BGEMEOLFWSGVBW-GFCCVEGCSA-N 1 0 379.273 4.189 20 0 GIADRO Fc1ccc(Br)c(F)c1Cc1noc(-c2ccc3c[nH+]cn3c2)n1 ZINC000574485578 823743936 /nfs/dbraw/zinc/74/39/36/823743936.db2.gz QSDGOCWJGMIMCK-UHFFFAOYSA-N 1 0 391.175 4.016 20 0 GIADRO C[C@H]([NH2+][C@H](CN1CCOCC1)c1ccccc1)c1ccc(F)cc1OC(F)F ZINC000163741629 823743991 /nfs/dbraw/zinc/74/39/91/823743991.db2.gz ZAZLOLRTMMGFGA-HNAYVOBHSA-N 1 0 394.437 4.151 20 0 GIADRO C[NH+](C)CCOc1ccccc1C(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000064090040 823744714 /nfs/dbraw/zinc/74/47/14/823744714.db2.gz JYPZXRSQTBKPSX-UHFFFAOYSA-N 1 0 381.501 4.366 20 0 GIADRO Cc1ccccc1-n1ncc(C(=O)N2CCC(CC[NH+](C)C)CC2)c1C(C)C ZINC000191716272 823744987 /nfs/dbraw/zinc/74/49/87/823744987.db2.gz VUSZZOARUSMRTC-UHFFFAOYSA-N 1 0 382.552 4.108 20 0 GIADRO COc1cc(Oc2ccccc2)ccc1NC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000574502092 823750080 /nfs/dbraw/zinc/75/00/80/823750080.db2.gz KIIVGSDAGDDBLM-ZWKOTPCHSA-N 1 0 395.503 4.341 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1ccccc1C(F)(F)F ZINC000163807061 823751065 /nfs/dbraw/zinc/75/10/65/823751065.db2.gz KJPVPHLVQWMQRG-CQSZACIVSA-N 1 0 380.410 4.023 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCSC3(CCC3)CC2)[C@H]1c1cccs1 ZINC000413319069 823751399 /nfs/dbraw/zinc/75/13/99/823751399.db2.gz CLLUEIYAJYUHPG-AEFFLSMTSA-N 1 0 393.622 4.202 20 0 GIADRO C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000574511520 823752312 /nfs/dbraw/zinc/75/23/12/823752312.db2.gz AWWNSLAISNINNV-OPYAIIAOSA-N 1 0 393.531 4.223 20 0 GIADRO C[C@@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000574511521 823752327 /nfs/dbraw/zinc/75/23/27/823752327.db2.gz AWWNSLAISNINNV-UEXGIBASSA-N 1 0 393.531 4.223 20 0 GIADRO C[C@@H](C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)c1cccc(Br)c1 ZINC000461915200 823752527 /nfs/dbraw/zinc/75/25/27/823752527.db2.gz DVXLVRQWCTXDFF-JKSUJKDBSA-N 1 0 381.358 4.323 20 0 GIADRO C[C@H](CN1CCSC[C@@H]1c1cnn(C)c1)c1cccc(Br)c1 ZINC000191746987 823755129 /nfs/dbraw/zinc/75/51/29/823755129.db2.gz LRKRYCRFMHWHGD-CXAGYDPISA-N 1 0 380.355 4.076 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](OCC1CC1)c1ccc(Cl)cc1)c1ccc(-n2cnnn2)cc1 ZINC000574527471 823755499 /nfs/dbraw/zinc/75/54/99/823755499.db2.gz IARXWWFNDGHYMG-QVKFZJNVSA-N 1 0 397.910 4.134 20 0 GIADRO C[N@H+](CCCCNC(=O)N[C@H](c1cccs1)c1ccc(F)cc1)C1CC1 ZINC000574532424 823756966 /nfs/dbraw/zinc/75/69/66/823756966.db2.gz LHCPYPHNXOROEG-IBGZPJMESA-N 1 0 375.513 4.150 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1cnccc1C(C)(C)C ZINC000413349926 823757134 /nfs/dbraw/zinc/75/71/34/823757134.db2.gz HVAJQDQXENUFPS-PGRDOPGGSA-N 1 0 394.563 4.089 20 0 GIADRO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(C)[C@H]1c1nccn1C)c1ccc(C2CCCCC2)cc1 ZINC000574538679 823758658 /nfs/dbraw/zinc/75/86/58/823758658.db2.gz WRXWABBABXYWSP-FRGLQRNOSA-N 1 0 394.563 4.338 20 0 GIADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)NCc2cccc(C(F)(F)F)c2)CC1 ZINC000125980268 823758684 /nfs/dbraw/zinc/75/86/84/823758684.db2.gz QSAIGFYAGOPIPO-UHFFFAOYSA-N 1 0 395.425 4.104 20 0 GIADRO Fc1ccc(-c2nc3c(s2)[C@H]([NH2+]CCCNc2ncccn2)CCC3)cc1 ZINC000163952655 823764868 /nfs/dbraw/zinc/76/48/68/823764868.db2.gz JXACQOKDWCPMNG-MRXNPFEDSA-N 1 0 383.496 4.208 20 0 GIADRO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc(F)cc1C(F)(F)F ZINC000126013187 823766134 /nfs/dbraw/zinc/76/61/34/823766134.db2.gz NBXVZUPUDJUUSM-MRXNPFEDSA-N 1 0 380.385 4.239 20 0 GIADRO O=C(Nc1cc2c(cc1Cl)CCC2=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000191785731 823767996 /nfs/dbraw/zinc/76/79/96/823767996.db2.gz BKKIHAGAOICPAS-QGZVFWFLSA-N 1 0 382.891 4.320 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1oc(COC(C)(C)C)nc1C ZINC000574576999 823770651 /nfs/dbraw/zinc/77/06/51/823770651.db2.gz LQXIMIYUYYPCAO-UHFFFAOYSA-N 1 0 387.524 4.022 20 0 GIADRO Cc1ccc(C[NH2+][C@H]2CCCN(c3ccccc3F)C2)c(-c2cnn(C)c2)c1 ZINC000574587280 823772762 /nfs/dbraw/zinc/77/27/62/823772762.db2.gz XWCSHCDCTNNEQX-FQEVSTJZSA-N 1 0 378.495 4.293 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)N2CCCCC[C@H]2c2ccncc2)c1 ZINC000064229499 823775830 /nfs/dbraw/zinc/77/58/30/823775830.db2.gz RKINYSQJVKRYBS-QFIPXVFZSA-N 1 0 380.536 4.360 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)N(Cc2ccco2)Cc2ccco2)c1 ZINC000064229793 823775846 /nfs/dbraw/zinc/77/58/46/823775846.db2.gz WYEGSQOOFJIUOF-UHFFFAOYSA-N 1 0 381.476 4.236 20 0 GIADRO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)c1 ZINC000191807849 823776166 /nfs/dbraw/zinc/77/61/66/823776166.db2.gz XPJGGPBIAFKSSF-DOTOQJQBSA-N 1 0 375.266 4.002 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)N2CCC(Cc3ccccc3)CC2)c1 ZINC000064229994 823776485 /nfs/dbraw/zinc/77/64/85/823776485.db2.gz NYIDKIUFADKUKT-UHFFFAOYSA-N 1 0 379.548 4.303 20 0 GIADRO C[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000164091960 823776937 /nfs/dbraw/zinc/77/69/37/823776937.db2.gz VGCVGQOZOBYABO-YYAJDYIMSA-N 1 0 397.485 4.323 20 0 GIADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)/C(=C/c2ccc(F)cc2)c2cccs2)C1 ZINC000164098290 823777250 /nfs/dbraw/zinc/77/72/50/823777250.db2.gz RVUYUMHACSMMBR-XWURAQLGSA-N 1 0 384.520 4.371 20 0 GIADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cccnc2SCc2ccc(F)cc2)C1 ZINC000164094673 823777470 /nfs/dbraw/zinc/77/74/70/823777470.db2.gz BWBBXJAYMCKRRO-YLJYHZDGSA-N 1 0 399.535 4.069 20 0 GIADRO Cc1ccc([C@H](CNC(=O)NCCCOCc2ccccc2)[NH+]2CCCC2)cc1 ZINC000064237370 823778391 /nfs/dbraw/zinc/77/83/91/823778391.db2.gz OKDQZSRUOXQMCP-QHCPKHFHSA-N 1 0 395.547 4.038 20 0 GIADRO COc1cc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)cc(Cl)c1OC ZINC000574606491 823778604 /nfs/dbraw/zinc/77/86/04/823778604.db2.gz KIYRIOLQRSZDJN-WSTZPKSXSA-N 1 0 387.907 4.362 20 0 GIADRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)Nc1cccc(N2CCCC2)c1 ZINC000064244467 823779872 /nfs/dbraw/zinc/77/98/72/823779872.db2.gz LAFJEXZGIWWXGM-UHFFFAOYSA-N 1 0 398.576 4.382 20 0 GIADRO COCc1ccc(C[NH2+]CC2(c3cccc(C(F)(F)F)c3)CCOCC2)o1 ZINC000126079798 823781668 /nfs/dbraw/zinc/78/16/68/823781668.db2.gz GYIZEDUVTXJVNG-UHFFFAOYSA-N 1 0 383.410 4.283 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+][C@@H](C)c2cc(C)sc2C)c1 ZINC000126082758 823782820 /nfs/dbraw/zinc/78/28/20/823782820.db2.gz LSWAPQGUWUPOKR-OCCSQVGLSA-N 1 0 376.522 4.450 20 0 GIADRO CN(C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000574619880 823783582 /nfs/dbraw/zinc/78/35/82/823783582.db2.gz NAAMCENEJNFRRO-BYICEURKSA-N 1 0 399.514 4.056 20 0 GIADRO Cc1ccc(CN2CCOCC2)cc1NC(=O)c1cccc(Cl)c1Cl ZINC000126089826 823784222 /nfs/dbraw/zinc/78/42/22/823784222.db2.gz XYKFAKOVRHUGQO-UHFFFAOYSA-N 1 0 379.287 4.386 20 0 GIADRO CC(C)[C@H](C[NH2+]C1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1cccnc1 ZINC000164182939 823784411 /nfs/dbraw/zinc/78/44/11/823784411.db2.gz VEZKGYCWQZBMOY-NRFANRHFSA-N 1 0 385.939 4.369 20 0 GIADRO Clc1cccc(Cl)c1CC[NH2+][C@H]1CCCc2c1cnn2-c1ncccn1 ZINC000574622409 823784525 /nfs/dbraw/zinc/78/45/25/823784525.db2.gz CTZQUSNUMAYMOO-KRWDZBQOSA-N 1 0 388.302 4.179 20 0 GIADRO OC1(C[NH2+][C@H](Cc2ccccn2)c2ccc(Br)cc2)CCCC1 ZINC000164203483 823785883 /nfs/dbraw/zinc/78/58/83/823785883.db2.gz URUUUSZUKKDPNR-GOSISDBHSA-N 1 0 375.310 4.023 20 0 GIADRO CC[C@H](C)n1ncc(C(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)c1C1CC1 ZINC000574630671 823786215 /nfs/dbraw/zinc/78/62/15/823786215.db2.gz MQKHMLOGRMTSTJ-BTYIYWSLSA-N 1 0 376.504 4.315 20 0 GIADRO COC(=O)c1coc([C@@H](C)[NH2+]C[C@H](c2cccc(C(F)(F)F)c2)N(C)C)c1 ZINC000574634244 823786939 /nfs/dbraw/zinc/78/69/39/823786939.db2.gz SBWLTNQCPGPYQU-MLGOLLRUSA-N 1 0 384.398 4.039 20 0 GIADRO COc1ccc(CC[C@H](C)[NH2+][C@H](CCSC)c2nnc3ccccn32)cc1 ZINC000164223822 823787426 /nfs/dbraw/zinc/78/74/26/823787426.db2.gz LJZSOSXGZOQDCT-QFBILLFUSA-N 1 0 384.549 4.143 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)Cc2ccc(OC(F)(F)F)cc2)C[C@H]1C ZINC000413497169 823787572 /nfs/dbraw/zinc/78/75/72/823787572.db2.gz LERRUSYYOPBIHS-INMHGKMJSA-N 1 0 386.458 4.095 20 0 GIADRO COc1ccc(CC[C@@H](C)[NH2+][C@@H](CCSC)c2nnc3ccccn32)cc1 ZINC000164223699 823787639 /nfs/dbraw/zinc/78/76/39/823787639.db2.gz LJZSOSXGZOQDCT-APWZRJJASA-N 1 0 384.549 4.143 20 0 GIADRO CCC(CC)(Cc1nc2ccccc2s1)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000574639398 823788277 /nfs/dbraw/zinc/78/82/77/823788277.db2.gz AAXQQXYKPYILKL-MSOLQXFVSA-N 1 0 399.604 4.493 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1cccc(NS(C)(=O)=O)c1)c1cc2c(s1)CCCC2 ZINC000164243164 823789072 /nfs/dbraw/zinc/78/90/72/823789072.db2.gz ZECAYYCVAXFCGS-ZIAGYGMSSA-N 1 0 378.563 4.410 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc3c(c2)CCC3=O)[C@@H]1c1cccs1 ZINC000574649334 823791003 /nfs/dbraw/zinc/79/10/03/823791003.db2.gz DVFWFQLNRDRTJI-MGPUTAFESA-N 1 0 383.517 4.082 20 0 GIADRO C[C@@H]1SCC[N@H+](C[C@H]2CCN(C(=O)c3ccccc3)C2)[C@H]1c1ccccc1 ZINC000574654242 823791625 /nfs/dbraw/zinc/79/16/25/823791625.db2.gz NVKYSLLVSHWVEA-NNMXDRDESA-N 1 0 380.557 4.327 20 0 GIADRO C[C@@H]1SCC[N@H+](C[C@@H]2CCN(C(=O)c3ccccc3)C2)[C@@H]1c1ccccc1 ZINC000574654240 823791677 /nfs/dbraw/zinc/79/16/77/823791677.db2.gz NVKYSLLVSHWVEA-IPJJNNNSSA-N 1 0 380.557 4.327 20 0 GIADRO COc1ccccc1CN(Cc1cccs1)C(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000462008923 823793388 /nfs/dbraw/zinc/79/33/88/823793388.db2.gz BLZSYQHMHWPVLV-KRWDZBQOSA-N 1 0 389.565 4.197 20 0 GIADRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1cc(F)c(C)cc1F ZINC000126122297 823793642 /nfs/dbraw/zinc/79/36/42/823793642.db2.gz AYTOSLHDPMXSQD-UHFFFAOYSA-N 1 0 376.472 4.383 20 0 GIADRO C[C@@H](CC(F)F)C(=O)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000413537720 823794226 /nfs/dbraw/zinc/79/42/26/823794226.db2.gz HBAXATMGFWHSJT-HOCLYGCPSA-N 1 0 392.412 4.191 20 0 GIADRO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCc2nccn2CCc2ccccc2)CC1 ZINC000164304994 823794585 /nfs/dbraw/zinc/79/45/85/823794585.db2.gz LSOVZJVZOKEIAQ-OFNKIYASSA-N 1 0 380.580 4.259 20 0 GIADRO C[C@@H](CNC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000413556661 823796577 /nfs/dbraw/zinc/79/65/77/823796577.db2.gz SYSRYZMUMVLBNZ-SJLPKXTDSA-N 1 0 385.474 4.176 20 0 GIADRO Cc1c([C@H](C)[NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)nnn1-c1ccc(F)cc1 ZINC000191855857 823796937 /nfs/dbraw/zinc/79/69/37/823796937.db2.gz ANDYDIPZJNGCDD-VPKVUBIPSA-N 1 0 380.467 4.143 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)N1CCCCC[C@H]1c1ccccc1 ZINC000126139248 823797894 /nfs/dbraw/zinc/79/78/94/823797894.db2.gz AWBOYDCBWBFYMD-QHCPKHFHSA-N 1 0 392.547 4.373 20 0 GIADRO C[C@@H](CC(=O)N(C)CCC[N@H+](C)Cc1ccncc1)Cc1ccc(Cl)cc1 ZINC000574677566 823798008 /nfs/dbraw/zinc/79/80/08/823798008.db2.gz HVDGLSGURULAEM-GOSISDBHSA-N 1 0 387.955 4.284 20 0 GIADRO Cc1ccncc1CCC[NH2+][C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000574678504 823798591 /nfs/dbraw/zinc/79/85/91/823798591.db2.gz SPRDPLYUXXXONK-GOSISDBHSA-N 1 0 392.330 4.415 20 0 GIADRO c1csc(CC[NH+]2CCN(Cc3csc(Nc4ccccc4)n3)CC2)c1 ZINC000064351715 823799103 /nfs/dbraw/zinc/79/91/03/823799103.db2.gz UEBZIZSFGKOKOJ-UHFFFAOYSA-N 1 0 384.574 4.309 20 0 GIADRO Clc1ccc(-c2nc(CN3CC[NH+](CCc4cccs4)CC3)co2)cc1 ZINC000064352030 823799179 /nfs/dbraw/zinc/79/91/79/823799179.db2.gz FQUQTPXIDOQRLS-UHFFFAOYSA-N 1 0 387.936 4.417 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1ccnc(N2CCC[C@@H](C)C2)c1 ZINC000462024559 823799327 /nfs/dbraw/zinc/79/93/27/823799327.db2.gz FBHSPEZZEZZWAK-LJQANCHMSA-N 1 0 394.563 4.042 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2Cl)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000164390520 823800231 /nfs/dbraw/zinc/80/02/31/823800231.db2.gz BVYRQMPONUTPTF-NVXWUHKLSA-N 1 0 392.952 4.063 20 0 GIADRO Cc1ccccc1[C@H](OC[C@@H](O)C[NH2+]C[C@H](C)c1nccs1)c1ccccc1 ZINC000574685981 823801457 /nfs/dbraw/zinc/80/14/57/823801457.db2.gz IFFRHIAWIRXBRQ-RCZSKKKRSA-N 1 0 396.556 4.312 20 0 GIADRO CSC1(CNC(=O)N[C@H]2CC[C@H](c3ccc(Cl)cc3)C2)CC[NH+](C)CC1 ZINC000413589961 823801608 /nfs/dbraw/zinc/80/16/08/823801608.db2.gz SSTSUXZWJGXKLI-WMZOPIPTSA-N 1 0 396.000 4.103 20 0 GIADRO CCOc1ccc(C2(C[NH2+][C@@H](c3ncc[nH]3)c3ccccc3)CCOCC2)cc1 ZINC000126156233 823801786 /nfs/dbraw/zinc/80/17/86/823801786.db2.gz UBTYTZZBDOYIHC-JOCHJYFZSA-N 1 0 391.515 4.236 20 0 GIADRO Cc1cccc([C@@H]2CCCN2C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)n1 ZINC000126159193 823802639 /nfs/dbraw/zinc/80/26/39/823802639.db2.gz FEGLFJYCIYJBJS-CVDCTZTESA-N 1 0 392.547 4.462 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)[C@@H]3CCCc4c(O)cccc43)C2)s1 ZINC000574697448 823803247 /nfs/dbraw/zinc/80/32/47/823803247.db2.gz JNNDZXKLCAFURP-DYESRHJHSA-N 1 0 398.572 4.163 20 0 GIADRO CC[C@@H](C(=O)N1CCC(OC2CCC(C)CC2)CC1)[N@H+](C)Cc1ccccc1 ZINC000574698615 823803293 /nfs/dbraw/zinc/80/32/93/823803293.db2.gz MCNOSTANDVTZGB-IRSIHTCSSA-N 1 0 386.580 4.483 20 0 GIADRO COc1ccccc1[C@@H]1C[C@H]1C(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000413611294 823803304 /nfs/dbraw/zinc/80/33/04/823803304.db2.gz CVQHQDSCYCNUQY-RPHTVSPISA-N 1 0 392.543 4.072 20 0 GIADRO O=C(Nc1ccccc1)c1nnc(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)s1 ZINC000191884353 823803697 /nfs/dbraw/zinc/80/36/97/823803697.db2.gz JQUCSIDTSYGLDU-PKOBYXMFSA-N 1 0 392.528 4.291 20 0 GIADRO CC(C)n1cccc1C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000126165653 823803633 /nfs/dbraw/zinc/80/36/33/823803633.db2.gz GQCLDTUSMWGDLN-UHFFFAOYSA-N 1 0 393.453 4.436 20 0 GIADRO Cc1cccn2c(CNc3ccc(NC(=O)CC[NH+]4CCCCC4)cc3)cnc12 ZINC000126171853 823804953 /nfs/dbraw/zinc/80/49/53/823804953.db2.gz GKSMJTRBPGSDRV-UHFFFAOYSA-N 1 0 391.519 4.069 20 0 GIADRO CCCC[NH+]1CCC(N[C@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)CC1 ZINC000164496948 823805563 /nfs/dbraw/zinc/80/55/63/823805563.db2.gz PZZJDZJQIKNLMW-GOSISDBHSA-N 1 0 392.609 4.318 20 0 GIADRO Cc1ccc(CCCC(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC000574710754 823806117 /nfs/dbraw/zinc/80/61/17/823806117.db2.gz NZCSCZAUFDBGKC-VWLOTQADSA-N 1 0 376.544 4.442 20 0 GIADRO C[C@H](c1ccc(Cl)cc1Cl)[N@H+](C)CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000164514255 823806484 /nfs/dbraw/zinc/80/64/84/823806484.db2.gz UTSQYDUFINCFJS-GFCCVEGCSA-N 1 0 394.302 4.114 20 0 GIADRO CC(=O)NC1CCC([NH2+][C@@H]2C[C@@H](C)CCc3ccc(Br)cc32)CC1 ZINC000574713577 823806620 /nfs/dbraw/zinc/80/66/20/823806620.db2.gz RNOWSFLUFBQWAA-GOWUAHTQSA-N 1 0 393.369 4.500 20 0 GIADRO CC(C)Cn1ccc2c1cccc2C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000574714743 823807261 /nfs/dbraw/zinc/80/72/61/823807261.db2.gz WZLQUBANZKWVPG-UHFFFAOYSA-N 1 0 390.531 4.087 20 0 GIADRO Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@@H]3CCC[C@@H]3c3ccccc3)CC2)cc1 ZINC000462041068 823808122 /nfs/dbraw/zinc/80/81/22/823808122.db2.gz QBHSCJPLTAQHNL-DHIUTWEWSA-N 1 0 398.572 4.074 20 0 GIADRO COc1ccc2c(c1)OC[C@H](C(=O)Nc1ccc(C[N@@H+]3CCC[C@@H](C)C3)cc1)C2 ZINC000064393243 823808903 /nfs/dbraw/zinc/80/89/03/823808903.db2.gz PRZSPYNHOVFMOO-YLJYHZDGSA-N 1 0 394.515 4.117 20 0 GIADRO Cc1cccc(N2CC[NH+](CCC(=O)N[C@H](C)c3ccc(Cl)cc3)CC2)c1 ZINC000462043209 823809206 /nfs/dbraw/zinc/80/92/06/823809206.db2.gz CJEQUYBWPSVHFX-GOSISDBHSA-N 1 0 385.939 4.038 20 0 GIADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)N[C@H]2CCc3sc(Cl)cc32)CC1 ZINC000462046025 823810641 /nfs/dbraw/zinc/81/06/41/823810641.db2.gz HNOIDKLFHKCNMC-INIZCTEOSA-N 1 0 393.940 4.288 20 0 GIADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000574726415 823811066 /nfs/dbraw/zinc/81/10/66/823811066.db2.gz MMPQUYNLVILVQA-UZLBHIALSA-N 1 0 392.469 4.009 20 0 GIADRO C[NH+](C)C[C@@H](NC(=O)N[C@H]1CCc2sc(Cl)cc21)c1ccc(F)cc1 ZINC000462049167 823811521 /nfs/dbraw/zinc/81/15/21/823811521.db2.gz WSTXBMSJLDMTMK-LSDHHAIUSA-N 1 0 381.904 4.130 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)Nc1ccccc1OC(F)F ZINC000126207216 823812298 /nfs/dbraw/zinc/81/22/98/823812298.db2.gz BDHQNWHCZWRAEM-UHFFFAOYSA-N 1 0 381.398 4.023 20 0 GIADRO COc1cccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C(F)(F)F)cc2)c1 ZINC000064412336 823813584 /nfs/dbraw/zinc/81/35/84/823813584.db2.gz WYQSMDLTTSRIGG-UHFFFAOYSA-N 1 0 395.425 4.310 20 0 GIADRO Cc1ccc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000064412300 823813710 /nfs/dbraw/zinc/81/37/10/823813710.db2.gz ZLILURGEEBPSGV-UHFFFAOYSA-N 1 0 393.453 4.287 20 0 GIADRO C[C@@H](CC(=O)N1CC[C@H]([NH+]2CCCCC2)C1)c1ccc(F)c(Br)c1 ZINC000462056110 823814934 /nfs/dbraw/zinc/81/49/34/823814934.db2.gz RZVOQAOECCWDOQ-HOCLYGCPSA-N 1 0 397.332 4.169 20 0 GIADRO CCC(CC)[C@@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)NC)cc1)c1cccs1 ZINC000164722037 823817264 /nfs/dbraw/zinc/81/72/64/823817264.db2.gz KXXOZULYPPGIMC-AUUYWEPGSA-N 1 0 380.579 4.484 20 0 GIADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc(NC(=O)c2cccs2)cc1 ZINC000064441550 823819629 /nfs/dbraw/zinc/81/96/29/823819629.db2.gz MXVKYDSJYHGKAA-MRXNPFEDSA-N 1 0 387.549 4.241 20 0 GIADRO C[C@H]([NH2+]Cc1ccccc1OC1CCCC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000164808317 823820812 /nfs/dbraw/zinc/82/08/12/823820812.db2.gz KTEKWPMGVYBACZ-INIZCTEOSA-N 1 0 388.533 4.230 20 0 GIADRO CC(C)c1nn(CN2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c(=S)n1C ZINC000164817301 823821331 /nfs/dbraw/zinc/82/13/31/823821331.db2.gz SZPJUFLRCFAQEB-WOJBJXKFSA-N 1 0 399.608 4.018 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Nc1cc(-c2ccccc2C)nn1C)c1ccco1 ZINC000462081340 823822632 /nfs/dbraw/zinc/82/26/32/823822632.db2.gz RRBHIQJIZWXQFZ-LJQANCHMSA-N 1 0 395.507 4.193 20 0 GIADRO CC(C)n1c2ccccc2nc1[C@@H](C)NC(=O)c1ccccc1OCC[NH+](C)C ZINC000164856333 823823207 /nfs/dbraw/zinc/82/32/07/823823207.db2.gz COPLEJZOASPDMN-QGZVFWFLSA-N 1 0 394.519 4.049 20 0 GIADRO CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3cc4cc(OC)ccc4o3)ccc2NC1=O ZINC000126261398 823823357 /nfs/dbraw/zinc/82/33/57/823823357.db2.gz JXCWNSFFDPIFSW-BFUOFWGJSA-N 1 0 380.444 4.402 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)CCC(=O)c3cccs3)C2)s1 ZINC000574777896 823824097 /nfs/dbraw/zinc/82/40/97/823824097.db2.gz ABLSPPMLBQRJDA-MRXNPFEDSA-N 1 0 390.574 4.061 20 0 GIADRO COc1cccc(CN(CC[NH+](C)C)C(=O)[C@H](C)c2ccc(Cl)s2)c1 ZINC000191956954 823824345 /nfs/dbraw/zinc/82/43/45/823824345.db2.gz WFXHCBWNXVBNIY-CQSZACIVSA-N 1 0 380.941 4.104 20 0 GIADRO C[NH+]1CCC2(CCCN2C(=O)N[C@H]2CC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000413718301 823824579 /nfs/dbraw/zinc/82/45/79/823824579.db2.gz PTOVGGUGTUFGMO-HKUYNNGSSA-N 1 0 375.944 4.246 20 0 GIADRO COc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C(F)(F)F)cc2)ccc1C ZINC000064470678 823825193 /nfs/dbraw/zinc/82/51/93/823825193.db2.gz NMRHEFBWEXVKHU-UHFFFAOYSA-N 1 0 394.437 4.226 20 0 GIADRO CC(C)(C)OC1CC[NH+](CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000164923159 823825581 /nfs/dbraw/zinc/82/55/81/823825581.db2.gz GVNKKRAJMWSWHA-UHFFFAOYSA-N 1 0 383.330 4.057 20 0 GIADRO CC(C)C[C@@H]([NH2+]Cc1cccc(C(=O)NCc2ccco2)c1)c1ccccn1 ZINC000164981959 823827935 /nfs/dbraw/zinc/82/79/35/823827935.db2.gz CZTSHGCMNNAWBU-JOCHJYFZSA-N 1 0 377.488 4.482 20 0 GIADRO COCc1ccc(C[NH2+][C@@H](C)CC(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000126280204 823828070 /nfs/dbraw/zinc/82/80/70/823828070.db2.gz LDCMOBHYHCQRHM-AWEZNQCLSA-N 1 0 380.410 4.359 20 0 GIADRO CC(C)Oc1ccc(C[NH2+][C@@H](C)CC(=O)Nc2ccccc2C(F)(F)F)cn1 ZINC000126291255 823831816 /nfs/dbraw/zinc/83/18/16/823831816.db2.gz OCEKHOIXIASSLT-AWEZNQCLSA-N 1 0 395.425 4.395 20 0 GIADRO C[C@@H]([NH3+])[C@@H](C)C(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000191992655 823832226 /nfs/dbraw/zinc/83/22/26/823832226.db2.gz WXVGMPURHZRPMP-HZPDHXFCSA-N 1 0 396.922 4.134 20 0 GIADRO CC[C@@H](Cc1cccc(Br)c1)C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000462115510 823832819 /nfs/dbraw/zinc/83/28/19/823832819.db2.gz BMAILUDKACHSOF-WBVHZDCISA-N 1 0 395.385 4.207 20 0 GIADRO CC[C@H](Cc1ccc(C)cc1)[NH2+]Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000462117389 823833658 /nfs/dbraw/zinc/83/36/58/823833658.db2.gz LUFHAFHMYRZQFC-HXUWFJFHSA-N 1 0 393.556 4.492 20 0 GIADRO C[N@H+](CCCCCc1cc(-c2ccccc2)n[nH]1)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000192017332 823835674 /nfs/dbraw/zinc/83/56/74/823835674.db2.gz GGQKGMYFLUTWDX-FQEVSTJZSA-N 1 0 381.520 4.207 20 0 GIADRO COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(OC(C)C)cc2)c1C ZINC000574828519 823835946 /nfs/dbraw/zinc/83/59/46/823835946.db2.gz YRRCFYLNSWCYIS-GDBMZVCRSA-N 1 0 386.492 4.127 20 0 GIADRO O=C(Cc1ccc2ccccc2c1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000064522255 823835949 /nfs/dbraw/zinc/83/59/49/823835949.db2.gz CVLMLDFDWRDWNX-IBGZPJMESA-N 1 0 378.541 4.472 20 0 GIADRO O=C(C[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1)Nc1ccc(F)cc1Cl ZINC000192020417 823835945 /nfs/dbraw/zinc/83/59/45/823835945.db2.gz NGYJSLMRQCGWLO-AEFFLSMTSA-N 1 0 383.250 4.191 20 0 GIADRO O=C(C[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1)Nc1ccc(F)cc1Cl ZINC000192020423 823836138 /nfs/dbraw/zinc/83/61/38/823836138.db2.gz NGYJSLMRQCGWLO-FUHWJXTLSA-N 1 0 383.250 4.191 20 0 GIADRO Cc1c2cc(Br)ccc2oc1C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000574832052 823836761 /nfs/dbraw/zinc/83/67/61/823836761.db2.gz OMSMILMRMKNQPO-DOMZBBRYSA-N 1 0 391.309 4.203 20 0 GIADRO Clc1ccc([C@H]2OCC[C@H]2[NH2+]CCCc2nc(-c3ccccc3)no2)cc1 ZINC000192026736 823836765 /nfs/dbraw/zinc/83/67/65/823836765.db2.gz XJGRKFNJBMMFRT-UYAOXDASSA-N 1 0 383.879 4.442 20 0 GIADRO COc1cccc(COc2cccc(NC(=O)NC[C@H]3CCC[N@H+](C)C3)c2C)c1 ZINC000165168625 823837584 /nfs/dbraw/zinc/83/75/84/823837584.db2.gz VHVLDQCJBMIJJV-LJQANCHMSA-N 1 0 397.519 4.046 20 0 GIADRO C[C@H]1[C@@H](NC(=O)Nc2ccc3oc(C4CC4)nc3c2)CC[N@@H+]1Cc1ccccc1 ZINC000574835824 823838066 /nfs/dbraw/zinc/83/80/66/823838066.db2.gz NAWJBYIPPYYKKU-KXBFYZLASA-N 1 0 390.487 4.490 20 0 GIADRO CO[C@](C)(C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000462128865 823838243 /nfs/dbraw/zinc/83/82/43/823838243.db2.gz IHMFYJBIBRUCIP-ZTNFWEORSA-N 1 0 398.469 4.020 20 0 GIADRO CN(C)C(=O)c1cccc(CC[NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)c1 ZINC000165190811 823838882 /nfs/dbraw/zinc/83/88/82/823838882.db2.gz JYGAKYHZKVYJGQ-IBGZPJMESA-N 1 0 392.421 4.107 20 0 GIADRO C[C@H]1C[N@H+](CC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)CC(C)(C)C1 ZINC000574841280 823839573 /nfs/dbraw/zinc/83/95/73/823839573.db2.gz XLZXHWYILJKUIU-OAHLLOKOSA-N 1 0 385.533 4.307 20 0 GIADRO Cc1nccn1-c1ccc(C[NH2+][C@@H](C)c2ccccc2OC(F)(F)F)cn1 ZINC000126322584 823839742 /nfs/dbraw/zinc/83/97/42/823839742.db2.gz ULDFJGGDKKSXGL-ZDUSSCGKSA-N 1 0 376.382 4.325 20 0 GIADRO CC1CCC([N@H+](Cc2nc(C(C)(C)NC(=O)OC(C)(C)C)no2)C2CC2)CC1 ZINC000165204580 823840046 /nfs/dbraw/zinc/84/00/46/823840046.db2.gz WWYXXIKADXRXQL-UHFFFAOYSA-N 1 0 392.544 4.373 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000192038388 823840343 /nfs/dbraw/zinc/84/03/43/823840343.db2.gz WTRUUWWUZVBBAD-BEFAXECRSA-N 1 0 395.286 4.060 20 0 GIADRO COc1cccc(C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)c1OC1CCCC1 ZINC000165220050 823840536 /nfs/dbraw/zinc/84/05/36/823840536.db2.gz URZINAGPFFHKTP-KRWDZBQOSA-N 1 0 392.503 4.448 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1cccc(-c2noc(C)n2)c1)c1ccccc1 ZINC000064545445 823840880 /nfs/dbraw/zinc/84/08/80/823840880.db2.gz ADADDKMQSDHMNP-FQEVSTJZSA-N 1 0 393.491 4.250 20 0 GIADRO COCCOc1ccc([C@H](C)[NH2+]CCc2c[nH]c3cccc(C)c23)cc1OC ZINC000165241984 823841082 /nfs/dbraw/zinc/84/10/82/823841082.db2.gz NVZLOPAIYDSWLP-KRWDZBQOSA-N 1 0 382.504 4.403 20 0 GIADRO COc1cc(C[N@@H+]2CC[C@H](COC(F)F)C2)ccc1OCc1ccccc1 ZINC000574846324 823841507 /nfs/dbraw/zinc/84/15/07/823841507.db2.gz NXKCGQGLOLWNNX-SFHVURJKSA-N 1 0 377.431 4.335 20 0 GIADRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N[C@H]1CCc2sc(Cl)cc21 ZINC000574848354 823842181 /nfs/dbraw/zinc/84/21/81/823842181.db2.gz MAPWNNNYLXBCEN-WBVHZDCISA-N 1 0 389.952 4.210 20 0 GIADRO O=C(NOCc1ccc(C(F)(F)F)cc1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000126339515 823843458 /nfs/dbraw/zinc/84/34/58/823843458.db2.gz NHPGXKCYLWZBGJ-UHFFFAOYSA-N 1 0 399.457 4.233 20 0 GIADRO C[C@@H](NC(=O)c1cc(-c2ccccc2C(F)(F)F)on1)C(C)(C)C[NH+](C)C ZINC000462147460 823844805 /nfs/dbraw/zinc/84/48/05/823844805.db2.gz HHXVPOPGWJJJLA-GFCCVEGCSA-N 1 0 383.414 4.067 20 0 GIADRO O=C(C[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1)Nc1ccccc1C(F)(F)F ZINC000192051383 823844937 /nfs/dbraw/zinc/84/49/37/823844937.db2.gz NNKYWILCPJTOLF-WMZOPIPTSA-N 1 0 398.812 4.417 20 0 GIADRO C[C@@H]([NH2+]C1CCN(Cc2ccc(F)cc2)CC1)c1cccc(N2CCOC2=O)c1 ZINC000165350015 823845126 /nfs/dbraw/zinc/84/51/26/823845126.db2.gz FTAKLJKBWLXDPD-QGZVFWFLSA-N 1 0 397.494 4.098 20 0 GIADRO C[C@@H]([NH2+]C1CCN(Cc2ccc(F)cc2)CC1)c1cccc(N2CCCC2=O)c1 ZINC000165375484 823846003 /nfs/dbraw/zinc/84/60/03/823846003.db2.gz JGPZAAZXHAOTSC-GOSISDBHSA-N 1 0 395.522 4.268 20 0 GIADRO C[C@H]([NH2+]C1CCN(Cc2ccc(F)cc2)CC1)c1cccc(N2CCCC2=O)c1 ZINC000165375358 823846112 /nfs/dbraw/zinc/84/61/12/823846112.db2.gz JGPZAAZXHAOTSC-SFHVURJKSA-N 1 0 395.522 4.268 20 0 GIADRO Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000192057851 823846476 /nfs/dbraw/zinc/84/64/76/823846476.db2.gz PLIBZVGZXFNHKE-APWZRJJASA-N 1 0 379.287 4.360 20 0 GIADRO COc1cccc(CN(CC[NH+](C)C)C(=O)NCc2ccc3sccc3c2)c1 ZINC000462154370 823846642 /nfs/dbraw/zinc/84/66/42/823846642.db2.gz DZZVPEFRZRHWND-UHFFFAOYSA-N 1 0 397.544 4.183 20 0 GIADRO C[C@H]([NH2+]C1CCN(Cc2ccc(F)cc2)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000165388532 823846966 /nfs/dbraw/zinc/84/69/66/823846966.db2.gz YSGVUTQPKGCQSX-SFHVURJKSA-N 1 0 395.522 4.268 20 0 GIADRO C[C@H](CNC(=O)c1c(F)cc(C(F)(F)F)cc1F)[N@@H+]1CCc2ccccc2C1 ZINC000574866638 823847254 /nfs/dbraw/zinc/84/72/54/823847254.db2.gz WFUFTSPQNILVPM-GFCCVEGCSA-N 1 0 398.375 4.160 20 0 GIADRO O=C(N[C@@H]1CCCc2cn(C3CCCC3)nc21)N1CC[NH+](C2CCCCC2)CC1 ZINC000462156559 823847574 /nfs/dbraw/zinc/84/75/74/823847574.db2.gz MJYTWJFSOPYAND-OAQYLSRUSA-N 1 0 399.583 4.036 20 0 GIADRO Cc1cccc2c(CCC(=O)N[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C)c[nH]c21 ZINC000462157012 823847621 /nfs/dbraw/zinc/84/76/21/823847621.db2.gz FVZSQNVLEOQWQQ-AVRDEDQJSA-N 1 0 375.516 4.046 20 0 GIADRO COc1cccc(OC)c1Oc1ccc(C[NH2+][C@H](C)c2cnc(C)nc2C)cn1 ZINC000165421220 823848055 /nfs/dbraw/zinc/84/80/55/823848055.db2.gz QCIONDDMZDTLTD-CQSZACIVSA-N 1 0 394.475 4.149 20 0 GIADRO CCOC(=O)CC[N@@H+](Cc1nnc(-c2ccc(Cl)cc2Cl)o1)CC1CC1 ZINC000064568901 823848274 /nfs/dbraw/zinc/84/82/74/823848274.db2.gz RUZMVRSNJOKGJT-UHFFFAOYSA-N 1 0 398.290 4.209 20 0 GIADRO Cc1ccccc1NC(=O)[C@H](C)[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000192069873 823850218 /nfs/dbraw/zinc/85/02/18/823850218.db2.gz KCFQDYSUBGCVDL-FASAQXTFSA-N 1 0 376.859 4.234 20 0 GIADRO C[C@@H]1CCc2sc(C(=O)N(C)CC3CCN(c4cc[nH+]cc4)CC3)cc2C1 ZINC000126370907 823850311 /nfs/dbraw/zinc/85/03/11/823850311.db2.gz NLXKBXGHPXVKDR-MRXNPFEDSA-N 1 0 383.561 4.257 20 0 GIADRO C[C@H]([NH2+]CCNC(=O)c1ccccc1Cl)[C@H](C)c1nc2ccccc2s1 ZINC000165513810 823851961 /nfs/dbraw/zinc/85/19/61/823851961.db2.gz OMQZYFDBEWLBNJ-KBPBESRZSA-N 1 0 387.936 4.461 20 0 GIADRO Cc1cnn(C)c1C(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000413860114 823852016 /nfs/dbraw/zinc/85/20/16/823852016.db2.gz MEZHIDKMTBROPQ-JOCHJYFZSA-N 1 0 394.563 4.026 20 0 GIADRO COc1ccccc1[C@H](C)[NH2+]Cc1ccc(OCCOc2ccccc2)nc1 ZINC000165533578 823852187 /nfs/dbraw/zinc/85/21/87/823852187.db2.gz OCXODNTWILIFNF-SFHVURJKSA-N 1 0 378.472 4.399 20 0 GIADRO Cc1ccccc1NC(=O)CC[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000192079828 823853003 /nfs/dbraw/zinc/85/30/03/823853003.db2.gz ASBWRTKVMCDKFG-UYAOXDASSA-N 1 0 376.859 4.236 20 0 GIADRO O=C(C[NH2+]Cc1cccc(OCc2ccccc2F)c1)Nc1ccc(F)cc1 ZINC000064614640 823853056 /nfs/dbraw/zinc/85/30/56/823853056.db2.gz YMOWTJSJHOWGBM-UHFFFAOYSA-N 1 0 382.410 4.272 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cnc(-c2ccsc2)s1 ZINC000462173002 823853724 /nfs/dbraw/zinc/85/37/24/823853724.db2.gz BHYYLTJPRGPTCT-WMLDXEAASA-N 1 0 383.542 4.122 20 0 GIADRO C[C@@H](Sc1nc2ccccc2s1)C(=O)NCc1ccccc1C[NH+](C)C ZINC000126387273 823854197 /nfs/dbraw/zinc/85/41/97/823854197.db2.gz UWAGMYOIIAQYSB-CQSZACIVSA-N 1 0 385.558 4.155 20 0 GIADRO Cc1ccc2[nH]cc(CCC(=O)N[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C)c2c1 ZINC000462175543 823854432 /nfs/dbraw/zinc/85/44/32/823854432.db2.gz KTACDIHCZLIPAI-FDDCHVKYSA-N 1 0 375.516 4.046 20 0 GIADRO CC(=O)Nc1ccc(CC[NH2+][C@@H](C)c2nnn(-c3cccc(Cl)c3)c2C)cc1 ZINC000165589911 823854811 /nfs/dbraw/zinc/85/48/11/823854811.db2.gz NAENENAXXJYVRH-AWEZNQCLSA-N 1 0 397.910 4.081 20 0 GIADRO Cc1ccc(C)c(OC2CC[NH+]([C@H](C)C(=O)N(C)Cc3ccccc3)CC2)c1 ZINC000064632044 823855290 /nfs/dbraw/zinc/85/52/90/823855290.db2.gz GZKGVTAQTKPEQX-HXUWFJFHSA-N 1 0 380.532 4.194 20 0 GIADRO CSc1cccc(NC(=O)C[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000192086590 823855829 /nfs/dbraw/zinc/85/58/29/823855829.db2.gz NYTHDHPTPKHJET-HKUYNNGSSA-N 1 0 394.899 4.259 20 0 GIADRO C[C@H](NC(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1)c1ccc(Oc2cccnc2)cc1 ZINC000574902421 823857368 /nfs/dbraw/zinc/85/73/68/823857368.db2.gz UQDVOHPQGJPRHU-MSOLQXFVSA-N 1 0 394.519 4.061 20 0 GIADRO CC[C@H]([NH2+][C@H](C)c1cnn(C(C)C)c1)c1ccccc1OCC(=O)N1CCCC1 ZINC000165662947 823857279 /nfs/dbraw/zinc/85/72/79/823857279.db2.gz FRCDUTKIIJJBRM-NQIIRXRSSA-N 1 0 398.551 4.267 20 0 GIADRO Cc1cccc(Cl)c1NC(=O)C[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000192091230 823857357 /nfs/dbraw/zinc/85/73/57/823857357.db2.gz BMRXPUGQNUNPGP-QFBILLFUSA-N 1 0 397.277 4.499 20 0 GIADRO CC(C)(C)C(=O)N1CCC(C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000192091503 823857468 /nfs/dbraw/zinc/85/74/68/823857468.db2.gz WNLMSGZDCCWEPJ-MOPGFXCFSA-N 1 0 396.934 4.183 20 0 GIADRO COc1ccc(C[NH2+][C@H](Cc2ccccn2)c2ccc(Br)cc2)cn1 ZINC000126401046 823857747 /nfs/dbraw/zinc/85/77/47/823857747.db2.gz LXPWUWVJYZEZRZ-LJQANCHMSA-N 1 0 398.304 4.321 20 0 GIADRO Cc1nn2c(C[NH2+][C@@H](c3ccccc3)C3(CO)CCCCC3)c(C)nc2s1 ZINC000574904453 823857985 /nfs/dbraw/zinc/85/79/85/823857985.db2.gz WLEDGLIBSBCEGG-IBGZPJMESA-N 1 0 384.549 4.181 20 0 GIADRO CSc1nnc(CCC[NH2+][C@H]2CCCOc3ccc(C)cc32)n1CC(C)C ZINC000165676342 823858261 /nfs/dbraw/zinc/85/82/61/823858261.db2.gz FVMZOOWEKRCUJB-SFHVURJKSA-N 1 0 388.581 4.401 20 0 GIADRO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+]([C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)C1 ZINC000574910535 823859694 /nfs/dbraw/zinc/85/96/94/823859694.db2.gz PCINQRCURIPKNS-XOBRGWDASA-N 1 0 391.899 4.362 20 0 GIADRO CC(=O)c1cccc(OC[C@H](O)C[NH2+]C[C@H](C)c2ccc(C(F)(F)F)cc2)c1 ZINC000574912634 823859749 /nfs/dbraw/zinc/85/97/49/823859749.db2.gz QFNDOFDQGZRSDO-IFXJQAMLSA-N 1 0 395.421 4.041 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)NCC(C)(C)c2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000413889257 823859916 /nfs/dbraw/zinc/85/99/16/823859916.db2.gz MYRCZJVIQNZALV-SIKLNZKXSA-N 1 0 394.563 4.054 20 0 GIADRO O=C(NCc1nc(C2CC2)cs1)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000165707153 823860200 /nfs/dbraw/zinc/86/02/00/823860200.db2.gz UMFHGSKUTVWQGN-UHFFFAOYSA-N 1 0 398.576 4.396 20 0 GIADRO COc1cc(C[NH2+][C@H]2CCc3cc(F)ccc32)cc(OC)c1OCC(F)F ZINC000574920903 823860695 /nfs/dbraw/zinc/86/06/95/823860695.db2.gz CYJRJMLJUVLRHS-INIZCTEOSA-N 1 0 381.394 4.264 20 0 GIADRO Cc1nccnc1CC[NH2+][C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000574921746 823860868 /nfs/dbraw/zinc/86/08/68/823860868.db2.gz NDSLYJCHQKKJPP-QFIPXVFZSA-N 1 0 395.890 4.131 20 0 GIADRO CC(=O)N(c1nc(CN2CCC[C@@H]([NH+]3CCCCC3)C2)cs1)c1ccccc1 ZINC000165743157 823861738 /nfs/dbraw/zinc/86/17/38/823861738.db2.gz ZZKMBVXFAUPSPR-OAQYLSRUSA-N 1 0 398.576 4.278 20 0 GIADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)N(c2ccccc2)c2ccccc2)CC1 ZINC000574928284 823861942 /nfs/dbraw/zinc/86/19/42/823861942.db2.gz PJUHSYNMZHKJOF-VXKWHMMOSA-N 1 0 379.504 4.163 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)c2cccc(Br)c2F)CC1 ZINC000192105727 823862188 /nfs/dbraw/zinc/86/21/88/823862188.db2.gz FGWRSHUNKSEPRB-UHFFFAOYSA-N 1 0 385.321 4.172 20 0 GIADRO CCc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000574929217 823862303 /nfs/dbraw/zinc/86/23/03/823862303.db2.gz USZFPGSFVQDDCS-LDLZHSJESA-N 1 0 376.544 4.379 20 0 GIADRO C[C@H](CSc1ccccc1)C(=O)Nc1ccc(OCC[NH+](C)C)cc1F ZINC000413899947 823862606 /nfs/dbraw/zinc/86/26/06/823862606.db2.gz JNUMOZFTQVAMST-OAHLLOKOSA-N 1 0 376.497 4.133 20 0 GIADRO CCc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000192108397 823862720 /nfs/dbraw/zinc/86/27/20/823862720.db2.gz BZEHSQLFVGCSNK-CJMONDIMSA-N 1 0 390.886 4.488 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)c2ccc(F)cc2C(F)(F)F)c(F)c1 ZINC000413900474 823862725 /nfs/dbraw/zinc/86/27/25/823862725.db2.gz KRXUTLQGHWOVKC-UHFFFAOYSA-N 1 0 388.336 4.176 20 0 GIADRO Cc1ccc(-c2c[nH]cc2C(=O)Nc2ccc(OCC[NH+](C)C)cc2F)s1 ZINC000413899986 823862740 /nfs/dbraw/zinc/86/27/40/823862740.db2.gz JRPLDRKDHOUSJT-UHFFFAOYSA-N 1 0 387.480 4.383 20 0 GIADRO O=C(OCC1CC[NH+](Cc2ccccc2)CC1)c1csc([C@H]2CCCO2)n1 ZINC000165789722 823863239 /nfs/dbraw/zinc/86/32/39/823863239.db2.gz WBKAAULRCQLXNX-LJQANCHMSA-N 1 0 386.517 4.064 20 0 GIADRO Cc1cc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c(Br)s1 ZINC000462194530 823864030 /nfs/dbraw/zinc/86/40/30/823864030.db2.gz ILEWXTGMTXNYOK-WBMJQRKESA-N 1 0 393.350 4.069 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)c(F)c1 ZINC000413906419 823864147 /nfs/dbraw/zinc/86/41/47/823864147.db2.gz YMZCDQXAUPNOHF-OLZOCXBDSA-N 1 0 376.394 4.073 20 0 GIADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C[C@@H](C)c2ccc(F)c(Br)c2)C1 ZINC000462197281 823864998 /nfs/dbraw/zinc/86/49/98/823864998.db2.gz CWVZCGKEFPOWAG-UKRRQHHQSA-N 1 0 385.321 4.025 20 0 GIADRO CSc1ccc(Cl)c(C(=O)Nc2ccc(OCC[NH+](C)C)cc2F)c1 ZINC000413918058 823865584 /nfs/dbraw/zinc/86/55/84/823865584.db2.gz KREVYFFCVXXOBQ-UHFFFAOYSA-N 1 0 382.888 4.394 20 0 GIADRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)c(OC(C)(C)C)c1 ZINC000165919993 823865980 /nfs/dbraw/zinc/86/59/80/823865980.db2.gz WVHGAGPLBWPTMW-INIZCTEOSA-N 1 0 375.534 4.427 20 0 GIADRO C[C@@H](NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(N2CCCC2)c1)c1ccc(F)cc1 ZINC000126433065 823866012 /nfs/dbraw/zinc/86/60/12/823866012.db2.gz SWVAEFJGJOGVRM-SQNIBIBYSA-N 1 0 383.511 4.342 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)CCSCc2ccccc2)c(F)c1 ZINC000413920004 823866086 /nfs/dbraw/zinc/86/60/86/823866086.db2.gz UTQKCUKBTZRDCA-UHFFFAOYSA-N 1 0 376.497 4.028 20 0 GIADRO CCn1c(C[NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)nc2c1cccc2F ZINC000192121921 823867060 /nfs/dbraw/zinc/86/70/60/823867060.db2.gz YDJGUDWMOTWAQU-UZLBHIALSA-N 1 0 375.394 4.093 20 0 GIADRO CC[C@@H](CNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)CC(F)(F)F ZINC000413925320 823867670 /nfs/dbraw/zinc/86/76/70/823867670.db2.gz ZWCTXEYKDQWGST-MRXNPFEDSA-N 1 0 385.474 4.271 20 0 GIADRO CCOc1cc(C)ccc1NC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000064705650 823867841 /nfs/dbraw/zinc/86/78/41/823867841.db2.gz IEEPALTYSPGALO-QGZVFWFLSA-N 1 0 387.549 4.489 20 0 GIADRO O=C(c1nc2ccccc2s1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000165996373 823867884 /nfs/dbraw/zinc/86/78/84/823867884.db2.gz VAJBXBAYHBXVAH-UHFFFAOYSA-N 1 0 379.529 4.077 20 0 GIADRO Fc1ccc([C@H]2OCC[C@H]2[NH2+]Cc2nc3ccccc3n2C(F)F)cc1F ZINC000192125603 823868270 /nfs/dbraw/zinc/86/82/70/823868270.db2.gz ZKBCGLWNDHSXIM-CRAIPNDOSA-N 1 0 379.357 4.329 20 0 GIADRO CC(C)Oc1ccc(CC[C@H](C)[NH2+]C2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000166013334 823868499 /nfs/dbraw/zinc/86/84/99/823868499.db2.gz DMBMKEXWIMLXQH-SFHVURJKSA-N 1 0 384.520 4.282 20 0 GIADRO CCC(CC)C(=O)N1CCC([NH2+][C@@H](C)c2cc(OC)c(OC)cc2C)CC1 ZINC000166036571 823868547 /nfs/dbraw/zinc/86/85/47/823868547.db2.gz KYEFUEPHEVOCEC-INIZCTEOSA-N 1 0 376.541 4.090 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)N(C)Cc1ccc(Cl)nc1)c1ccsc1 ZINC000126445153 823869829 /nfs/dbraw/zinc/86/98/29/823869829.db2.gz LUBDBZJMDBSQTG-MRXNPFEDSA-N 1 0 380.945 4.021 20 0 GIADRO CSc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000192130334 823870284 /nfs/dbraw/zinc/87/02/84/823870284.db2.gz FQHSRSGIZBABIT-YXKWSERDSA-N 1 0 392.471 4.134 20 0 GIADRO O=C(CC[NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1)Nc1cccc(Cl)c1 ZINC000192131282 823870875 /nfs/dbraw/zinc/87/08/75/823870875.db2.gz QZFJZJNDULCTQK-HKUYNNGSSA-N 1 0 380.822 4.067 20 0 GIADRO COc1ccc([C@H](C)[NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)cc1F ZINC000166162020 823871081 /nfs/dbraw/zinc/87/10/81/823871081.db2.gz NYDMYDCNXIZCRG-AWEZNQCLSA-N 1 0 378.438 4.428 20 0 GIADRO COCCOc1ccccc1C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000064720202 823871083 /nfs/dbraw/zinc/87/10/83/823871083.db2.gz SKXHQXSGQSUVAT-LJQANCHMSA-N 1 0 396.531 4.016 20 0 GIADRO CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)c1 ZINC000166197103 823872287 /nfs/dbraw/zinc/87/22/87/823872287.db2.gz PQXUTXKOQACJDF-LEDOBFOHSA-N 1 0 380.532 4.472 20 0 GIADRO Cc1noc(C)c1CCC[NH2+][C@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000166207580 823872331 /nfs/dbraw/zinc/87/23/31/823872331.db2.gz NRRODHBTERGBRH-GFCCVEGCSA-N 1 0 399.413 4.130 20 0 GIADRO Cc1ccc(-c2nnc([C@H](C)N[C@@H]3CC[N@H+](C)[C@@H]3c3ccccc3)o2)cc1C ZINC000574961649 823872605 /nfs/dbraw/zinc/87/26/05/823872605.db2.gz GHWARDOALASKER-IOMROCGXSA-N 1 0 376.504 4.449 20 0 GIADRO CC[C@H](Cc1ccccc1Br)[NH2+]Cc1cc(OC)c(O)c(OC)c1 ZINC000574963117 823873597 /nfs/dbraw/zinc/87/35/97/823873597.db2.gz ZWQASLLNMUZDRL-OAHLLOKOSA-N 1 0 394.309 4.283 20 0 GIADRO COc1cccc([C@H](Cc2cc(C)cc(C)c2)[NH2+]C2CCN(C(C)=O)CC2)c1 ZINC000166309481 823875226 /nfs/dbraw/zinc/87/52/26/823875226.db2.gz XJTBUICFEDMANU-DEOSSOPVSA-N 1 0 380.532 4.196 20 0 GIADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)COc2cc(Cl)ccc2Cl)C1 ZINC000064735246 823875332 /nfs/dbraw/zinc/87/53/32/823875332.db2.gz ZVBLXLGSGGMSPE-IJEWVQPXSA-N 1 0 385.335 4.236 20 0 GIADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)CCc2ncc(-c3ccccc3)o2)C1 ZINC000064735347 823875414 /nfs/dbraw/zinc/87/54/14/823875414.db2.gz HLDOKXBBYQOCPU-WSTZPKSXSA-N 1 0 381.520 4.138 20 0 GIADRO COc1cccc([C@@H](Cc2cc(C)cc(C)c2)[NH2+]C2CCN(C(C)=O)CC2)c1 ZINC000166309596 823875436 /nfs/dbraw/zinc/87/54/36/823875436.db2.gz XJTBUICFEDMANU-XMMPIXPASA-N 1 0 380.532 4.196 20 0 GIADRO C[C@H]([NH2+][C@H]1C[C@H](C)N(C2CC2)C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000166310734 823875449 /nfs/dbraw/zinc/87/54/49/823875449.db2.gz YBILSCQURIRSKR-SRVKXCTJSA-N 1 0 376.394 4.165 20 0 GIADRO COc1cc2[nH]c(CCC[NH2+][C@H](C)c3cccc(NC(C)=O)c3)cc2c(OC)c1 ZINC000166333394 823875779 /nfs/dbraw/zinc/87/57/79/823875779.db2.gz KIJFGUXSOFDZQR-OAHLLOKOSA-N 1 0 395.503 4.427 20 0 GIADRO Cc1cc(C)c(NC(=O)C[NH2+][C@H]2CCO[C@H]2c2ccc(F)c(F)c2)c(Cl)c1 ZINC000192143620 823878473 /nfs/dbraw/zinc/87/84/73/823878473.db2.gz JTYTYXLOKVOYPY-PXNSSMCTSA-N 1 0 394.849 4.293 20 0 GIADRO Cc1cc(Oc2ncccn2)ccc1NC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000166483381 823878540 /nfs/dbraw/zinc/87/85/40/823878540.db2.gz RQKXLLMTNBXMHA-UHFFFAOYSA-N 1 0 395.507 4.060 20 0 GIADRO CC[NH+]1CCC(NC(=O)c2cc(-c3ccccc3)nc3cc(F)ccc32)CC1 ZINC000064749783 823879378 /nfs/dbraw/zinc/87/93/78/823879378.db2.gz YTIGTYATSWGYKE-UHFFFAOYSA-N 1 0 377.463 4.255 20 0 GIADRO COc1ccc2nc(C3CC3)cc(C(=O)Nc3ccccc3C[NH+](C)C)c2c1 ZINC000574989998 823881124 /nfs/dbraw/zinc/88/11/24/823881124.db2.gz XTHKJEZGMYLJLV-UHFFFAOYSA-N 1 0 375.472 4.435 20 0 GIADRO CN(C)c1ccc(N2CCC([NH2+][C@@H](C[C@@H]3CCOC3)c3ccccc3)CC2)cc1 ZINC000166714271 823881946 /nfs/dbraw/zinc/88/19/46/823881946.db2.gz HDNRCOUAXJSNEC-CPJSRVTESA-N 1 0 393.575 4.479 20 0 GIADRO C[C@@H](CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000413978864 823882443 /nfs/dbraw/zinc/88/24/43/823882443.db2.gz IOQPYWLVQVHNQH-CJNGLKHVSA-N 1 0 396.375 4.146 20 0 GIADRO C[C@H]([NH2+]CCOc1ccc(Cl)c(F)c1)c1ccc(N2CCOC2=O)cc1 ZINC000192154288 823883011 /nfs/dbraw/zinc/88/30/11/823883011.db2.gz IPEJTYGTQFSTDU-ZDUSSCGKSA-N 1 0 378.831 4.165 20 0 GIADRO CCc1noc(CC)c1C[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000166992516 823884997 /nfs/dbraw/zinc/88/49/97/823884997.db2.gz XMIOOIGPWUAXJW-NSHDSACASA-N 1 0 384.261 4.255 20 0 GIADRO CSCc1cc(F)ccc1C[NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000167119558 823886608 /nfs/dbraw/zinc/88/66/08/823886608.db2.gz CEQVWUUSSZRQBZ-GFCCVEGCSA-N 1 0 385.501 4.082 20 0 GIADRO CCOCCOc1cc(C)ccc1C[NH2+][C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000167141164 823886928 /nfs/dbraw/zinc/88/69/28/823886928.db2.gz HJMFEZABKNASII-KRWDZBQOSA-N 1 0 396.531 4.491 20 0 GIADRO CC(C)[N@H+](CC(=O)N1CCO[C@@H](C)C1)Cc1ccc(-c2ccc(F)cc2)s1 ZINC000064801551 823887401 /nfs/dbraw/zinc/88/74/01/823887401.db2.gz DCZVXMVNHHFFGV-INIZCTEOSA-N 1 0 390.524 4.012 20 0 GIADRO Cc1cc(-n2ccnc2)ccc1C[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000192163896 823887677 /nfs/dbraw/zinc/88/76/77/823887677.db2.gz LZZQWSIXRGNRKM-QHCPKHFHSA-N 1 0 375.472 4.193 20 0 GIADRO CC[C@H](C)[NH2+][C@H](CNC(=O)c1ccnc(OCc2ccccc2)c1)c1ccco1 ZINC000575016272 823888770 /nfs/dbraw/zinc/88/87/70/823888770.db2.gz KSPNZXFFJLVPGF-FXAWDEMLSA-N 1 0 393.487 4.113 20 0 GIADRO O=C(C[N@H+](C1CC1)C1CCCC1)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000064808549 823889234 /nfs/dbraw/zinc/88/92/34/823889234.db2.gz LKLBRTBXGSRBLR-GOSISDBHSA-N 1 0 383.517 4.426 20 0 GIADRO COCCCOc1cc(C)ccc1C[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000167239793 823889262 /nfs/dbraw/zinc/88/92/62/823889262.db2.gz HMGKXTZTKXBNFY-GOSISDBHSA-N 1 0 398.503 4.218 20 0 GIADRO CC(C)c1ccc(CNc2ccc(CC[NH+]3CCC(C(N)=O)CC3)cc2)cc1 ZINC000126533301 823892346 /nfs/dbraw/zinc/89/23/46/823892346.db2.gz KJIQMVTZZNGASG-UHFFFAOYSA-N 1 0 379.548 4.162 20 0 GIADRO CCOc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cccc(N3CCCC3)c2)cc1 ZINC000126540815 823894240 /nfs/dbraw/zinc/89/42/40/823894240.db2.gz CXWLCEPHCHSTSS-ROUUACIJSA-N 1 0 381.520 4.363 20 0 GIADRO CC(C)n1ncc2cc(C[NH2+]C[C@H](c3ccco3)N3CCCC3)c(Cl)nc21 ZINC000126548030 823895740 /nfs/dbraw/zinc/89/57/40/823895740.db2.gz NLPSREWGYUCNJZ-QGZVFWFLSA-N 1 0 387.915 4.185 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(C)c(C(C)=O)c1)c1cccc(OC)c1 ZINC000575037367 823896985 /nfs/dbraw/zinc/89/69/85/823896985.db2.gz GIEWGSCZWATFBI-QFIPXVFZSA-N 1 0 382.504 4.019 20 0 GIADRO C[C@@H](NCC(C)(C)[NH2+][C@H](C)c1ccccc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000167862431 823897116 /nfs/dbraw/zinc/89/71/16/823897116.db2.gz ZQNIBQDWINICLE-HZPDHXFCSA-N 1 0 392.540 4.009 20 0 GIADRO Cc1ccc([C@H](OC[C@@H](O)C[NH2+]C[C@@H](C)c2nccs2)c2ccccc2)cc1 ZINC000575040701 823897861 /nfs/dbraw/zinc/89/78/61/823897861.db2.gz GUKSONNMUCSLIL-BVYCBKJFSA-N 1 0 396.556 4.312 20 0 GIADRO CCc1cccc2c(C3CCN(C(=O)NC[C@@H]4CC[N@@H+](C5CC5)C4)CC3)c[nH]c21 ZINC000126556271 823898066 /nfs/dbraw/zinc/89/80/66/823898066.db2.gz QCEWQFBPYYSPIA-KRWDZBQOSA-N 1 0 394.563 4.104 20 0 GIADRO CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000167985953 823898865 /nfs/dbraw/zinc/89/88/65/823898865.db2.gz DLPYZTNLMWJMML-IBGZPJMESA-N 1 0 387.959 4.144 20 0 GIADRO CS(=O)(=O)Cc1cccc(C[NH2+][C@H]2CC[C@H](c3cccc(Cl)c3)C2)c1 ZINC000414062573 823898889 /nfs/dbraw/zinc/89/88/89/823898889.db2.gz BWJZRJHPLVREIC-ICSRJNTNSA-N 1 0 377.937 4.311 20 0 GIADRO COc1ccccc1-c1csc([C@@H]2CCC[N@H+](Cc3snnc3C)C2)n1 ZINC000575049765 823899863 /nfs/dbraw/zinc/89/98/63/823899863.db2.gz NNOWMAKKNUKEQY-CQSZACIVSA-N 1 0 386.546 4.358 20 0 GIADRO CCCS(=O)(=O)N1CCC([NH2+][C@@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000414065830 823899825 /nfs/dbraw/zinc/89/98/25/823899825.db2.gz OYYYDUYMDRDHLF-YLJYHZDGSA-N 1 0 399.000 4.160 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)C1(c2cccc(F)c2)CCC1 ZINC000126569094 823901207 /nfs/dbraw/zinc/90/12/07/823901207.db2.gz BAVUIXCMPFXPEI-UHFFFAOYSA-N 1 0 381.495 4.017 20 0 GIADRO COc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)c(C)c1 ZINC000414071387 823901259 /nfs/dbraw/zinc/90/12/59/823901259.db2.gz KNVJKIZTPYERMO-QRVBRYPASA-N 1 0 396.531 4.104 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]CC1(N(C)C)CCOCC1 ZINC000168260178 823901315 /nfs/dbraw/zinc/90/13/15/823901315.db2.gz NUOYMRREMGPWGK-AWEZNQCLSA-N 1 0 377.529 4.019 20 0 GIADRO C[C@H](CC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)c1ccc(F)c(Br)c1 ZINC000462257659 823901797 /nfs/dbraw/zinc/90/17/97/823901797.db2.gz QGNACBVFWHNLMB-DDUZABMNSA-N 1 0 397.332 4.025 20 0 GIADRO C[C@H](C[NH2+][C@@H](C)c1cc2n(n1)CCC2)Sc1ccc(Br)cc1 ZINC000414073930 823902058 /nfs/dbraw/zinc/90/20/58/823902058.db2.gz GJKYSRLCPHPHQH-OLZOCXBDSA-N 1 0 380.355 4.423 20 0 GIADRO CS(=O)(=O)Cc1ccc(C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCCC4)cc1 ZINC000126571973 823902615 /nfs/dbraw/zinc/90/26/15/823902615.db2.gz QAXOKSYLOSWHOL-JOCHJYFZSA-N 1 0 399.556 4.114 20 0 GIADRO COCCOc1ccc([C@@H](C)[NH2+]Cc2cccc(Br)c2)cc1OC ZINC000126574827 823903078 /nfs/dbraw/zinc/90/30/78/823903078.db2.gz ZEOJEFLKJWQBMH-CQSZACIVSA-N 1 0 394.309 4.334 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CC2(c3ccc4c(c3)OCO4)CCOCC2)c(C)c1 ZINC000414076459 823903155 /nfs/dbraw/zinc/90/31/55/823903155.db2.gz QBYKPDZSMUQCDO-KRWDZBQOSA-N 1 0 383.488 4.131 20 0 GIADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](c2ccccc2)c2cccc(F)c2)cc1 ZINC000168561784 823904252 /nfs/dbraw/zinc/90/42/52/823904252.db2.gz MYIQFFBZXUGCNV-OPAMFIHVSA-N 1 0 398.503 4.174 20 0 GIADRO Cc1nc(CN2CCC(C[NH2+][C@@H]3C[C@H](OC(C)(C)C)C3(C)C)CC2)oc1C ZINC000414081947 823904543 /nfs/dbraw/zinc/90/45/43/823904543.db2.gz FHPGKWXASBPRLK-MOPGFXCFSA-N 1 0 377.573 4.075 20 0 GIADRO COC(=O)c1cnc([C@@H](C)[NH2+]CCCOc2ccc(Cl)cc2Cl)s1 ZINC000414081107 823904564 /nfs/dbraw/zinc/90/45/64/823904564.db2.gz UEVCFQBDKINZID-SNVBAGLBSA-N 1 0 389.304 4.356 20 0 GIADRO COc1ccc([C@H](C)[NH2+]C2CCN(C(=O)CCc3ccccc3)CC2)c(C)c1 ZINC000414081841 823904600 /nfs/dbraw/zinc/90/46/00/823904600.db2.gz VOXACUZHBWWWIS-IBGZPJMESA-N 1 0 380.532 4.278 20 0 GIADRO Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCC(C)(C)C[NH+](C)C ZINC000126581763 823904978 /nfs/dbraw/zinc/90/49/78/823904978.db2.gz RQQMSOHBDVWTHR-UHFFFAOYSA-N 1 0 384.307 4.274 20 0 GIADRO CCOc1cc(C[NH2+][C@H](C)c2ccc(OCc3nccn3C)cc2)ccc1OC ZINC000168805016 823906341 /nfs/dbraw/zinc/90/63/41/823906341.db2.gz YKGZGJZAISQISD-QGZVFWFLSA-N 1 0 395.503 4.257 20 0 GIADRO CC(C)(CNC(=S)Nc1ccc2c(c1)CCC2)[N@@H+]1CCc2ccccc2C1 ZINC000064892553 823906413 /nfs/dbraw/zinc/90/64/13/823906413.db2.gz YDXJNGWIGMPDMR-UHFFFAOYSA-N 1 0 379.573 4.299 20 0 GIADRO Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c(Br)c1 ZINC000168892433 823906545 /nfs/dbraw/zinc/90/65/45/823906545.db2.gz CWHAVPNYPWCRRQ-UHFFFAOYSA-N 1 0 387.321 4.283 20 0 GIADRO CC(C)(C)O[C@@H]1C[C@@H]([NH2+]Cc2ccc(COC3CCOCC3)cc2)C1(C)C ZINC000414091532 823906925 /nfs/dbraw/zinc/90/69/25/823906925.db2.gz DOIYRVSDRBRYLC-NHCUHLMSSA-N 1 0 375.553 4.454 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1COc2ccccc21 ZINC000169097395 823908142 /nfs/dbraw/zinc/90/81/42/823908142.db2.gz FEQMNPRRPZTMFA-RISCZKNCSA-N 1 0 377.238 4.012 20 0 GIADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=S)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000064903707 823908688 /nfs/dbraw/zinc/90/86/88/823908688.db2.gz SACQHVWYJDCAAD-CYBMUJFWSA-N 1 0 389.487 4.382 20 0 GIADRO CCn1nccc1NC(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000575092942 823910087 /nfs/dbraw/zinc/91/00/87/823910087.db2.gz SEPAPPQBJYRYIH-NRFANRHFSA-N 1 0 395.551 4.058 20 0 GIADRO CC(C)(C)OC(=O)c1ccc(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)cc1 ZINC000126611842 823910717 /nfs/dbraw/zinc/91/07/17/823910717.db2.gz UBAQKWHLNSBRMB-LJQANCHMSA-N 1 0 392.503 4.064 20 0 GIADRO COC(=O)/C=C/c1ccc(N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000064915943 823911792 /nfs/dbraw/zinc/91/17/92/823911792.db2.gz UNEPRDNMMKRVLL-ASHWEPGTSA-N 1 0 395.459 4.028 20 0 GIADRO COc1ccc([C@@H]([NH2+]CCc2cn(C)cn2)c2ccccc2Cl)cc1OC ZINC000414125488 823914770 /nfs/dbraw/zinc/91/47/70/823914770.db2.gz MQYGZQFZFGFFMY-OAQYLSRUSA-N 1 0 385.895 4.012 20 0 GIADRO CC(C)(CNC(=O)NCc1ccc(C(F)F)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000462297864 823915299 /nfs/dbraw/zinc/91/52/99/823915299.db2.gz PQPINDFROFRVNT-UHFFFAOYSA-N 1 0 387.474 4.260 20 0 GIADRO CC[C@H](C)n1ncc(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1C1CC1 ZINC000462297935 823915321 /nfs/dbraw/zinc/91/53/21/823915321.db2.gz NGKDXUBVZFWWSB-LLGFUMIMSA-N 1 0 395.551 4.374 20 0 GIADRO CC[C@H](C)n1ncc(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1C1CC1 ZINC000462297934 823915367 /nfs/dbraw/zinc/91/53/67/823915367.db2.gz NGKDXUBVZFWWSB-FIKGOQFSSA-N 1 0 395.551 4.374 20 0 GIADRO CCC(=O)N1CC[C@H]([NH2+][C@@H]2CCCc3nc(-c4ccc(Cl)cc4)sc32)C1 ZINC000126632394 823915437 /nfs/dbraw/zinc/91/54/37/823915437.db2.gz KPGZLLVWYMHMKK-JKSUJKDBSA-N 1 0 389.952 4.441 20 0 GIADRO Cc1ccc(-c2nc(C(=O)N(C)CC3CCN(c4cc[nH+]cc4)CC3)cs2)o1 ZINC000126634523 823915785 /nfs/dbraw/zinc/91/57/85/823915785.db2.gz HNDVQDVBWHTNMI-UHFFFAOYSA-N 1 0 396.516 4.095 20 0 GIADRO CCCn1ccnc1CCCN(C)C(=O)c1cn(C)nc1-c1ccccc1Cl ZINC000192248495 823915939 /nfs/dbraw/zinc/91/59/39/823915939.db2.gz BDHCQIMMFNAUBK-UHFFFAOYSA-N 1 0 399.926 4.052 20 0 GIADRO C[C@H]([NH2+]CCc1nnc2n1CCCCC2)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000126633246 823915938 /nfs/dbraw/zinc/91/59/38/823915938.db2.gz BWBLVBJNMMNFSI-KBPBESRZSA-N 1 0 397.350 4.299 20 0 GIADRO C[C@H]([NH2+]CCN1CCc2ccccc2C1=O)c1csc(-c2ccccc2)n1 ZINC000414129767 823916072 /nfs/dbraw/zinc/91/60/72/823916072.db2.gz IRDDLAOFYAAJLH-INIZCTEOSA-N 1 0 377.513 4.159 20 0 GIADRO COc1ccc(C[C@H](C)[NH2+][C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)cn1 ZINC000414130929 823916278 /nfs/dbraw/zinc/91/62/78/823916278.db2.gz XCAOVTHLYOENLL-DLBZAZTESA-N 1 0 390.487 4.019 20 0 GIADRO CCCc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1 ZINC000462304209 823917448 /nfs/dbraw/zinc/91/74/48/823917448.db2.gz CZJAECQWCUNTRE-PXNSSMCTSA-N 1 0 392.590 4.062 20 0 GIADRO CS(=O)(=O)c1cccc([C@H]([NH2+][C@@H]2CCC[C@H](F)C2)c2ccc(F)cc2F)c1 ZINC000575123134 823917570 /nfs/dbraw/zinc/91/75/70/823917570.db2.gz XNOIMBRWMNAAIR-NBQZKYEYSA-N 1 0 397.462 4.328 20 0 GIADRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000575126827 823918334 /nfs/dbraw/zinc/91/83/34/823918334.db2.gz RUJREXWWGAAKLS-VFVRVIDISA-N 1 0 393.409 4.009 20 0 GIADRO C[N@H+](CCCOc1ccc(S(C)(=O)=O)cc1)Cc1cccc2ccccc21 ZINC000064961945 823918840 /nfs/dbraw/zinc/91/88/40/823918840.db2.gz GTEAQPAVEJTTKL-UHFFFAOYSA-N 1 0 383.513 4.144 20 0 GIADRO C[C@]1(O)CCOC[C@@H]1[C@H]1CCC[N@@H+]1[C@@H](c1ccc(Cl)cc1)C1CCOCC1 ZINC000575134564 823920235 /nfs/dbraw/zinc/92/02/35/823920235.db2.gz BTZHSKSLGRXYSK-CZYKHXBRSA-N 1 0 393.955 4.060 20 0 GIADRO C[C@@H]([NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000414178290 823923189 /nfs/dbraw/zinc/92/31/89/823923189.db2.gz JQQSIIHSCSHXOF-NSODJVPESA-N 1 0 385.863 4.228 20 0 GIADRO C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)N1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000575146985 823923390 /nfs/dbraw/zinc/92/33/90/823923390.db2.gz LEVAOIPECMZIHU-ZOCIIQOWSA-N 1 0 389.927 4.248 20 0 GIADRO COc1ccc2cc(-c3nn(-c4ccccc4)cc3C[NH2+]C[C@@H](C)O)ccc2c1 ZINC000065013436 823924160 /nfs/dbraw/zinc/92/41/60/823924160.db2.gz XUTKIWLLYZHOJY-QGZVFWFLSA-N 1 0 387.483 4.172 20 0 GIADRO COc1ccc([C@H]([NH2+]C[C@@H](CO)c2ccc(OC)cc2)c2ccccc2)cc1 ZINC000414186943 823924247 /nfs/dbraw/zinc/92/42/47/823924247.db2.gz PWCWTEUUYGUNTH-XUZZJYLKSA-N 1 0 377.484 4.159 20 0 GIADRO FC(F)(F)c1ccn(-c2ccc(C[NH2+]Cc3cnn(-c4ccccc4)c3)cc2)n1 ZINC000065014560 823924942 /nfs/dbraw/zinc/92/49/42/823924942.db2.gz QQHBRLZWMZZITB-UHFFFAOYSA-N 1 0 397.404 4.367 20 0 GIADRO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]C[C@@H]1CCC[C@H]1C1CC1 ZINC000414187093 823925038 /nfs/dbraw/zinc/92/50/38/823925038.db2.gz HZIBFSOSJCREKR-YWMUFLPLSA-N 1 0 383.536 4.168 20 0 GIADRO C[C@@H]([NH2+]C[C@H]1CNC(=O)C1)c1ccc(Oc2ccc(Br)cc2)cc1 ZINC000414191932 823925498 /nfs/dbraw/zinc/92/54/98/823925498.db2.gz LPESVQDOBABTDN-KGLIPLIRSA-N 1 0 389.293 4.028 20 0 GIADRO C[C@@H]([NH2+][C@H]1c2sccc2OC(C)(C)[C@@H]1O)c1cc(Br)cs1 ZINC000414194747 823925855 /nfs/dbraw/zinc/92/58/55/823925855.db2.gz WUTOLYOKCZZMOK-CWONEXCFSA-N 1 0 388.352 4.496 20 0 GIADRO Cc1cc(C)c(S(=O)(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c(C)c1 ZINC000462328382 823926157 /nfs/dbraw/zinc/92/61/57/823926157.db2.gz TVJQMPVASCPAJA-PKOBYXMFSA-N 1 0 392.590 4.035 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@@H]2C[C@H]2c2c(F)cccc2Cl)ccc1S(C)(=O)=O ZINC000414198752 823926595 /nfs/dbraw/zinc/92/65/95/823926595.db2.gz ZXLQPPTZDQJFCL-AXAPSJFSSA-N 1 0 397.899 4.098 20 0 GIADRO COc1ccc([C@@H](CO)C[NH2+][C@@H](C)c2ccc(F)cc2Br)cc1 ZINC000414198977 823927094 /nfs/dbraw/zinc/92/70/94/823927094.db2.gz XATGYHFWWMXYCL-GXTWGEPZSA-N 1 0 382.273 4.024 20 0 GIADRO Cc1[nH]c2ccc(CNC(=O)NCCC[N@@H+]3CCc4ccccc4C3)cc2c1C ZINC000065031016 823927536 /nfs/dbraw/zinc/92/75/36/823927536.db2.gz KPSBAUISXKOYDV-UHFFFAOYSA-N 1 0 390.531 4.032 20 0 GIADRO CC[C@H](C)n1ncc(C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1C1CC1 ZINC000126690852 823928356 /nfs/dbraw/zinc/92/83/56/823928356.db2.gz ZHRRGGQQTGOSEM-AZUAARDMSA-N 1 0 394.563 4.326 20 0 GIADRO CC[C@H]([NH2+]Cc1cc(Cl)cc(S(=O)(=O)CC)c1)c1ccccc1OC ZINC000414208827 823929380 /nfs/dbraw/zinc/92/93/80/823929380.db2.gz JXJRVCPZMTVELU-SFHVURJKSA-N 1 0 381.925 4.383 20 0 GIADRO Clc1c(Br)cccc1C[NH2+]C1CCN(c2nccs2)CC1 ZINC000414213090 823930362 /nfs/dbraw/zinc/93/03/62/823930362.db2.gz SHINRMBVJGPXSJ-UHFFFAOYSA-N 1 0 386.746 4.318 20 0 GIADRO Cc1cc(C[N@@H+](CCCc2ccncc2)CC(C)C)nc(N2CCCCC2)n1 ZINC000462339133 823930391 /nfs/dbraw/zinc/93/03/91/823930391.db2.gz XLCZGWVBOQHPHS-UHFFFAOYSA-N 1 0 381.568 4.261 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H]2CCCc3nc(C)sc32)c1 ZINC000414213498 823930721 /nfs/dbraw/zinc/93/07/21/823930721.db2.gz UBGLIBXWHCSQRT-HNNXBMFYSA-N 1 0 384.954 4.066 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H]2CCCOc3cc(C)ccc32)c1 ZINC000414214543 823930896 /nfs/dbraw/zinc/93/08/96/823930896.db2.gz VMPFVEAENNBJPE-LJQANCHMSA-N 1 0 393.936 4.446 20 0 GIADRO Cc1nc(-c2ccc(C)cc2C)sc1C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000575173964 823931337 /nfs/dbraw/zinc/93/13/37/823931337.db2.gz GBTFBGUBEYPUPI-MRXNPFEDSA-N 1 0 392.528 4.199 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H]2c3cc(C)ccc3C[C@H]2C)c1 ZINC000414216250 823931397 /nfs/dbraw/zinc/93/13/97/823931397.db2.gz ZKBKKXIHMYNWAA-JLTOFOAXSA-N 1 0 377.937 4.465 20 0 GIADRO CC[C@@H]1OCC[C@H]1[NH2+][C@@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000414216119 823931619 /nfs/dbraw/zinc/93/16/19/823931619.db2.gz VFDHEGLFBNZXFD-ZBINZKHDSA-N 1 0 378.822 4.233 20 0 GIADRO CNc1ccc(Cl)c(C(=O)N[C@@H]2CC[N@H+](C3CC3)[C@H]2c2cccc(OC)c2)c1 ZINC000575175783 823931832 /nfs/dbraw/zinc/93/18/32/823931832.db2.gz RCAQDJXLOZSCPX-RTWAWAEBSA-N 1 0 399.922 4.098 20 0 GIADRO Cc1ccc(C(=O)C2CCN(C(=O)[C@H](C)[C@H]([NH3+])c3ccccc3)CC2)c(C)c1 ZINC000575177782 823932526 /nfs/dbraw/zinc/93/25/26/823932526.db2.gz XAOZZEYKCATOIN-GCJKJVERSA-N 1 0 378.516 4.061 20 0 GIADRO CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000414223796 823933155 /nfs/dbraw/zinc/93/31/55/823933155.db2.gz QQZVYHXVQUXJNK-YHBQJITHSA-N 1 0 392.421 4.325 20 0 GIADRO C[C@H](OC[C@H](O)C[NH2+]C1(c2nccs2)CCCC1)c1ccc(Cl)cc1 ZINC000126713460 823933479 /nfs/dbraw/zinc/93/34/79/823933479.db2.gz YBYORPUUVSEOMQ-WMLDXEAASA-N 1 0 380.941 4.294 20 0 GIADRO CC[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)c1ccccc1 ZINC000414226255 823933638 /nfs/dbraw/zinc/93/36/38/823933638.db2.gz UKQGOTURHJPLLY-HRAATJIYSA-N 1 0 379.504 4.493 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)c1ccccc1 ZINC000414226258 823933788 /nfs/dbraw/zinc/93/37/88/823933788.db2.gz UKQGOTURHJPLLY-KKSFZXQISA-N 1 0 379.504 4.493 20 0 GIADRO CO[C@@](C)([C@H](C)[NH2+][C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1)C1CC1 ZINC000414229884 823934185 /nfs/dbraw/zinc/93/41/85/823934185.db2.gz FSNMLQHAUBIFRR-XFQAVAEZSA-N 1 0 379.566 4.257 20 0 GIADRO O=C(Nc1cccc(Cl)c1OCC(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000575194768 823935774 /nfs/dbraw/zinc/93/57/74/823935774.db2.gz RCMVHXGDKWMGPM-OAHLLOKOSA-N 1 0 394.849 4.445 20 0 GIADRO Cc1cc(C[NH2+]CCc2ccc(OCc3ccccc3)cc2)ccc1-n1cncn1 ZINC000462351698 823936054 /nfs/dbraw/zinc/93/60/54/823936054.db2.gz IVUSRHHLASIRFY-UHFFFAOYSA-N 1 0 398.510 4.487 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@@H](C)c2cc(Cl)c(OC)cc2OC)cn1 ZINC000414236330 823936057 /nfs/dbraw/zinc/93/60/57/823936057.db2.gz AAOWYHGVPHCWQT-PJSUUKDQSA-N 1 0 393.915 4.002 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)cn1 ZINC000414236633 823936148 /nfs/dbraw/zinc/93/61/48/823936148.db2.gz AMDFTTOALRFXFZ-BOUXLOLZSA-N 1 0 375.900 4.138 20 0 GIADRO CCOc1cccc2cc([C@@H](C)[NH2+]C[C@@H]3CCO[C@H]3c3cnn(CC)c3)oc21 ZINC000414239561 823937098 /nfs/dbraw/zinc/93/70/98/823937098.db2.gz DBBZKYGEECGUFH-LDBYXDLTSA-N 1 0 383.492 4.476 20 0 GIADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](Oc3ccc(Cl)cc3)c3ccccc3)C2)C1 ZINC000575201523 823937517 /nfs/dbraw/zinc/93/75/17/823937517.db2.gz BAHLCPAVIWSJDB-RBBKRZOGSA-N 1 0 384.907 4.014 20 0 GIADRO Cc1c(C(=O)Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)oc2c1c(C)ccc2C ZINC000575202777 823938123 /nfs/dbraw/zinc/93/81/23/823938123.db2.gz ASZXLNDDCCOUPH-LJQANCHMSA-N 1 0 378.472 4.177 20 0 GIADRO C[C@@H]([NH2+]CCC(C)(C)S(C)(=O)=O)c1ccc(OCc2ccccc2)cc1 ZINC000414245073 823939189 /nfs/dbraw/zinc/93/91/89/823939189.db2.gz BNOPUOOEDLNBDI-QGZVFWFLSA-N 1 0 375.534 4.130 20 0 GIADRO C[C@H]([NH2+]CCC(C)(C)S(C)(=O)=O)c1ccc(OCc2ccccc2)cc1 ZINC000414245072 823939375 /nfs/dbraw/zinc/93/93/75/823939375.db2.gz BNOPUOOEDLNBDI-KRWDZBQOSA-N 1 0 375.534 4.130 20 0 GIADRO FC(F)(F)c1ccnc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)n1 ZINC000414247721 823940188 /nfs/dbraw/zinc/94/01/88/823940188.db2.gz OUMGFWVYOBBNQQ-RCCFBDPRSA-N 1 0 390.453 4.028 20 0 GIADRO FC(F)(F)c1ccnc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)n1 ZINC000414247720 823940377 /nfs/dbraw/zinc/94/03/77/823940377.db2.gz OUMGFWVYOBBNQQ-KZNAEPCWSA-N 1 0 390.453 4.028 20 0 GIADRO COc1ccccc1-c1ccc([C@@H](C)[NH2+]CCC(C)(C)S(C)(=O)=O)cc1 ZINC000414248272 823940424 /nfs/dbraw/zinc/94/04/24/823940424.db2.gz FMPRCUDWEXIHQA-MRXNPFEDSA-N 1 0 375.534 4.226 20 0 GIADRO COc1ccc([C@H](Cc2ccccc2)NC(=O)N(C)CC2([NH+](C)C)CCC2)cc1 ZINC000462359092 823940355 /nfs/dbraw/zinc/94/03/55/823940355.db2.gz ZFRZBRAXAVBNKT-QFIPXVFZSA-N 1 0 395.547 4.105 20 0 GIADRO COc1ccc([C@@H](Cc2ccccc2)NC(=O)N(C)CC2([NH+](C)C)CCC2)cc1 ZINC000462359091 823940514 /nfs/dbraw/zinc/94/05/14/823940514.db2.gz ZFRZBRAXAVBNKT-JOCHJYFZSA-N 1 0 395.547 4.105 20 0 GIADRO Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+]CCC(C)(C)S(C)(=O)=O ZINC000414249591 823940704 /nfs/dbraw/zinc/94/07/04/823940704.db2.gz GPNUJLXPGDJLNY-LBPRGKRZSA-N 1 0 384.542 4.122 20 0 GIADRO CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@@H]1CCO[C@H]1c1cnn(CC)c1 ZINC000414250776 823941394 /nfs/dbraw/zinc/94/13/94/823941394.db2.gz RMHSZZJXNRQOCG-QEEYODRMSA-N 1 0 377.916 4.384 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1=O)c1ccc(Cl)c2ccccc21 ZINC000462363103 823941782 /nfs/dbraw/zinc/94/17/82/823941782.db2.gz RZZORDGTHYSJFV-VBKZILBWSA-N 1 0 382.895 4.073 20 0 GIADRO CC[C@@H]([NH2+]C[C@@H]1CCO[C@H]1c1cnn(CC)c1)c1ccc(OC(F)F)cc1 ZINC000414253522 823942044 /nfs/dbraw/zinc/94/20/44/823942044.db2.gz TYRVIDDWCSDQLO-KFKAGJAMSA-N 1 0 379.451 4.323 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1ccc(F)cc1C(F)(F)F ZINC000126761842 823944516 /nfs/dbraw/zinc/94/45/16/823944516.db2.gz HEBFKEWVPMHGLG-UHFFFAOYSA-N 1 0 395.400 4.228 20 0 GIADRO CCC[N@H+](CC)C[C@H](C)NC(=O)Nc1cccc(CSC2CCOCC2)c1 ZINC000575222249 823944735 /nfs/dbraw/zinc/94/47/35/823944735.db2.gz XHFFDGKIGNFSRD-KRWDZBQOSA-N 1 0 393.597 4.341 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1scnc1C)c1ccc(C(F)(F)F)cc1 ZINC000065121667 823947549 /nfs/dbraw/zinc/94/75/49/823947549.db2.gz YGFKWSMMGJQKRL-OAHLLOKOSA-N 1 0 385.455 4.283 20 0 GIADRO CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000575234215 823948068 /nfs/dbraw/zinc/94/80/68/823948068.db2.gz GGLCLMDSVWFIEK-UHFFFAOYSA-N 1 0 397.372 4.034 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]CCC(C)(C)S(C)(=O)=O ZINC000414270569 823948101 /nfs/dbraw/zinc/94/81/01/823948101.db2.gz VTOGWPJMIKFXGX-CQSZACIVSA-N 1 0 380.579 4.291 20 0 GIADRO c1c(C[NH2+]C[C@@H]2NCCc3ccccc32)c(-c2ccccn2)nn1C1CCCC1 ZINC000575233370 823948254 /nfs/dbraw/zinc/94/82/54/823948254.db2.gz RHESYPLRMPNZSP-QHCPKHFHSA-N 1 0 387.531 4.037 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)Cc2csc(Cc3ccccc3)n2)C1 ZINC000065142309 823951303 /nfs/dbraw/zinc/95/13/03/823951303.db2.gz AQBULMLZIGCEMV-HDICACEKSA-N 1 0 399.604 4.149 20 0 GIADRO C[C@H]([NH2+][C@H]1CCN(C(=O)C2CCCC2)C1)c1ccc(SCC(F)F)cc1 ZINC000126787863 823951573 /nfs/dbraw/zinc/95/15/73/823951573.db2.gz BFRWCVKGPXAUKI-YOEHRIQHSA-N 1 0 382.520 4.486 20 0 GIADRO O=C(NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1)Nc1cnns1 ZINC000192338440 823951637 /nfs/dbraw/zinc/95/16/37/823951637.db2.gz YQNRWPAJYPLWIL-UHFFFAOYSA-N 1 0 393.516 4.123 20 0 GIADRO CC[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1nnc2n1CCCCC2 ZINC000575311333 823952371 /nfs/dbraw/zinc/95/23/71/823952371.db2.gz BFMXEUMIIYQNQR-SFTDATJTSA-N 1 0 393.579 4.242 20 0 GIADRO Cc1ccc(C[C@@H]2CCCN(C(=O)c3ccccc3OCC[NH+](C)C)C2)cc1 ZINC000065162300 823954876 /nfs/dbraw/zinc/95/48/76/823954876.db2.gz CVOQLKPLUIPIMA-NRFANRHFSA-N 1 0 380.532 4.030 20 0 GIADRO CCc1ncc(C[NH2+]Cc2ccc(-n3nc(C)cc3C)cc2C(F)(F)F)cn1 ZINC000414307150 823954987 /nfs/dbraw/zinc/95/49/87/823954987.db2.gz OVECAMJWAPHIBU-UHFFFAOYSA-N 1 0 389.425 4.150 20 0 GIADRO CC(C)([NH2+]Cc1ccc(S(C)(=O)=O)s1)c1ccc(Cl)c(Cl)c1 ZINC000414308830 823955318 /nfs/dbraw/zinc/95/53/18/823955318.db2.gz WUCVDCSKHHQUBR-UHFFFAOYSA-N 1 0 378.346 4.483 20 0 GIADRO CCC1(C[NH2+]Cc2cccc(Br)c2OC(F)F)CCOCC1 ZINC000575323147 823955299 /nfs/dbraw/zinc/95/52/99/823955299.db2.gz GXFIMAWDIFGSPF-UHFFFAOYSA-N 1 0 378.257 4.347 20 0 GIADRO CCc1ncc(C[NH2+][C@@H](Cc2ccccc2C)c2ccc(OC)c(OC)c2)cn1 ZINC000414309613 823955377 /nfs/dbraw/zinc/95/53/77/823955377.db2.gz VGWRWYURGQCGON-NRFANRHFSA-N 1 0 391.515 4.438 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCCc2c(O)cccc21)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000192351541 823956025 /nfs/dbraw/zinc/95/60/25/823956025.db2.gz TUUTVIWMBXXRQR-PBHICJAKSA-N 1 0 395.528 4.016 20 0 GIADRO CC(=O)c1cc(NC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)ccc1C ZINC000575327021 823956491 /nfs/dbraw/zinc/95/64/91/823956491.db2.gz MTSJKGUREIOQHT-UHFFFAOYSA-N 1 0 379.504 4.326 20 0 GIADRO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000192354339 823957155 /nfs/dbraw/zinc/95/71/55/823957155.db2.gz BSUVQAYUWLCCGY-SUMWQHHRSA-N 1 0 388.895 4.357 20 0 GIADRO CC(C)(C)C[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)c1ccc(F)cc1 ZINC000414317837 823957311 /nfs/dbraw/zinc/95/73/11/823957311.db2.gz WNSFDFNNEVBDHK-QGZVFWFLSA-N 1 0 398.931 4.394 20 0 GIADRO CC(=O)N(c1nc(CN2CC[C@H]([NH+]3CCCC3)C2)cs1)c1ccc(C)c(C)c1 ZINC000170739082 823958080 /nfs/dbraw/zinc/95/80/80/823958080.db2.gz OQDQSHWUXZNYHH-NRFANRHFSA-N 1 0 398.576 4.115 20 0 GIADRO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000065189075 823958343 /nfs/dbraw/zinc/95/83/43/823958343.db2.gz VXTLXJRYZABITQ-INIZCTEOSA-N 1 0 384.520 4.146 20 0 GIADRO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2c(O)ccc3ccc(OC)cc32)C1 ZINC000065188941 823958358 /nfs/dbraw/zinc/95/83/58/823958358.db2.gz JOOYZMLDELHDCN-WMZOPIPTSA-N 1 0 384.520 4.071 20 0 GIADRO O=C(NCCCCCOC1CCCCC1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000126823425 823959483 /nfs/dbraw/zinc/95/94/83/823959483.db2.gz VTTXBVVWIBHZCB-KNQAVFIVSA-N 1 0 391.600 4.164 20 0 GIADRO COc1cccc([C@@H]2C[C@H]2C[NH2+][C@@H](C)c2ccc(OCc3nccn3C)cc2)c1 ZINC000414331030 823959732 /nfs/dbraw/zinc/95/97/32/823959732.db2.gz CBUCRXGOAYQEBE-NYDSKATKSA-N 1 0 391.515 4.462 20 0 GIADRO CCOc1ccc(Cl)cc1CC[NH2+]Cc1c(C)nn(-c2ccccn2)c1C ZINC000575349885 823959766 /nfs/dbraw/zinc/95/97/66/823959766.db2.gz JBKJXIWHNFSGGE-UHFFFAOYSA-N 1 0 384.911 4.269 20 0 GIADRO CC(C)COc1ccc(C(C)(C)[NH2+]Cc2ccc(S(C)(=O)=O)s2)cc1 ZINC000414330051 823959884 /nfs/dbraw/zinc/95/98/84/823959884.db2.gz DMVUHSFAXDQQHP-UHFFFAOYSA-N 1 0 381.563 4.211 20 0 GIADRO C[C@@H](Cc1cn(C)c2ccc(F)cc12)[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000414337631 823960675 /nfs/dbraw/zinc/96/06/75/823960675.db2.gz DRMQJIBWIXMNDF-GJZGRUSLSA-N 1 0 388.508 4.003 20 0 GIADRO CCCC[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)c1ccc(OC)cc1 ZINC000414335818 823960721 /nfs/dbraw/zinc/96/07/21/823960721.db2.gz YQJVRMLPONGXFO-GOSISDBHSA-N 1 0 396.940 4.017 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CC(C)(C)c1cccnc1 ZINC000414343051 823961577 /nfs/dbraw/zinc/96/15/77/823961577.db2.gz XRYKJRBVCYRQJK-AWEZNQCLSA-N 1 0 375.900 4.028 20 0 GIADRO C[C@@H](Cc1cn(C)c2ccc(F)cc12)[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000414348444 823962436 /nfs/dbraw/zinc/96/24/36/823962436.db2.gz OIMMAEFFTXCVCP-HOTGVXAUSA-N 1 0 377.467 4.180 20 0 GIADRO COC1(C[C@@H](C)[NH2+]C2CCN(Cc3cccc(Br)c3)CC2)CCC1 ZINC000414356507 823963670 /nfs/dbraw/zinc/96/36/70/823963670.db2.gz ZUUGMKOBTIFQRZ-MRXNPFEDSA-N 1 0 395.385 4.351 20 0 GIADRO C[C@@H]([NH2+]C1CCN(Cc2cccc(Br)c2)CC1)c1cncs1 ZINC000414355336 823963852 /nfs/dbraw/zinc/96/38/52/823963852.db2.gz WXXZOWWSJSXGOM-CYBMUJFWSA-N 1 0 380.355 4.221 20 0 GIADRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)Nc1cc(Cl)ccc1-c1nc(C2CC2)no1 ZINC000575369299 823963928 /nfs/dbraw/zinc/96/39/28/823963928.db2.gz KMUREVFKUCFMJL-LBPRGKRZSA-N 1 0 391.903 4.118 20 0 GIADRO COc1ccc(Br)cc1C[NH2+]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000192374656 823964187 /nfs/dbraw/zinc/96/41/87/823964187.db2.gz ZBYQANSLUIJTCW-KXBFYZLASA-N 1 0 376.294 4.325 20 0 GIADRO CC[NH+](CC)CCOc1ccc(-c2noc([C@H]3CCCSC3)n2)cc1OC ZINC000575371584 823964149 /nfs/dbraw/zinc/96/41/49/823964149.db2.gz QSFNNMJWCMXRRD-INIZCTEOSA-N 1 0 391.537 4.076 20 0 GIADRO C[C@H]([NH2+]C[C@@H]1CCCN(Cc2cccs2)C1)c1ccc([S@](C)=O)cc1 ZINC000126846566 823965264 /nfs/dbraw/zinc/96/52/64/823965264.db2.gz WTUDDAQIRSQSSA-XOWTYJCDSA-N 1 0 376.591 4.048 20 0 GIADRO CN(C)c1ncc(C[NH2+][C@H](c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)n1C ZINC000414361881 823965525 /nfs/dbraw/zinc/96/55/25/823965525.db2.gz DDOJLBIHMCATBH-INIZCTEOSA-N 1 0 386.849 4.399 20 0 GIADRO CCN(CC)c1ccc(C[NH2+][C@@H](COC)c2cccc(C(F)(F)F)c2)cn1 ZINC000126854473 823967217 /nfs/dbraw/zinc/96/72/17/823967217.db2.gz GZZCDTBBDWQNNQ-SFHVURJKSA-N 1 0 381.442 4.424 20 0 GIADRO COc1ccc(CC[N@H+](CCn2cc(C)cn2)Cc2ccsc2)cc1OC ZINC000575442266 823971250 /nfs/dbraw/zinc/97/12/50/823971250.db2.gz SGKVBWWBMZMYKI-UHFFFAOYSA-N 1 0 385.533 4.015 20 0 GIADRO Cc1ccc(OCc2cccc(C(=O)N3CCC([NH2+]C4CCCC4)CC3)c2)cn1 ZINC000126873060 823971480 /nfs/dbraw/zinc/97/14/80/823971480.db2.gz VBHBRQHWITUBJL-UHFFFAOYSA-N 1 0 393.531 4.106 20 0 GIADRO Cc1nc(-c2ccc([C@@H](C)NC(=O)[C@@]3(c4ccccc4)CC[NH2+]C3)cc2)cs1 ZINC000575477429 823973544 /nfs/dbraw/zinc/97/35/44/823973544.db2.gz OSMYIKRDTOXSFJ-MWTRTKDXSA-N 1 0 391.540 4.227 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)Cc1c(Cl)cccc1OC ZINC000462433898 823973670 /nfs/dbraw/zinc/97/36/70/823973670.db2.gz ASQONAFERRMCLS-UHFFFAOYSA-N 1 0 390.911 4.250 20 0 GIADRO CSCc1ccc(C(=O)N(C)c2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000126893314 823975243 /nfs/dbraw/zinc/97/52/43/823975243.db2.gz PWTTUWKLZGNIOL-UHFFFAOYSA-N 1 0 384.545 4.301 20 0 GIADRO CC(C)C[N@H+](Cc1cc(=O)n2cc(Cl)ccc2n1)[C@@H]1CCCc2cccnc21 ZINC000126891657 823975329 /nfs/dbraw/zinc/97/53/29/823975329.db2.gz FVNKFMPWZTXAQP-LJQANCHMSA-N 1 0 396.922 4.279 20 0 GIADRO CC(C)(CNC(=O)CCc1cncc2ccccc21)[N@@H+]1CCc2ccccc2C1 ZINC000462438782 823975784 /nfs/dbraw/zinc/97/57/84/823975784.db2.gz XIBVBBZCCJJZFI-UHFFFAOYSA-N 1 0 387.527 4.121 20 0 GIADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc(-c2ccccc2C(F)(F)F)on1 ZINC000462440873 823976310 /nfs/dbraw/zinc/97/63/10/823976310.db2.gz MLXFEENOERUBDV-GUYCJALGSA-N 1 0 393.409 4.059 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@]1(C)CCCc2ccccc21 ZINC000126902896 823977033 /nfs/dbraw/zinc/97/70/33/823977033.db2.gz PHNYJEIWBVDJTE-XMMPIXPASA-N 1 0 377.532 4.051 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)N2CCC[C@H](CCC(=O)OC(C)(C)C)C2)c1 ZINC000414421162 823979370 /nfs/dbraw/zinc/97/93/70/823979370.db2.gz YROVYKXXCOKCFP-QGZVFWFLSA-N 1 0 389.540 4.114 20 0 GIADRO O=C(C[NH+]1CCCCCCC1)Nc1ccc(NCc2cn3ccccc3n2)cc1 ZINC000126919375 823980782 /nfs/dbraw/zinc/98/07/82/823980782.db2.gz FWASQYATRKYFOS-UHFFFAOYSA-N 1 0 391.519 4.151 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)N(C)Cc3ccc(C)s3)c(C)c2)CC1 ZINC000170824411 823980880 /nfs/dbraw/zinc/98/08/80/823980880.db2.gz DAHJUPJXJNDKCK-UHFFFAOYSA-N 1 0 386.565 4.171 20 0 GIADRO CCc1ncc(C[NH2+][C@@H]2CCN(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)cn1 ZINC000414426550 823982403 /nfs/dbraw/zinc/98/24/03/823982403.db2.gz HKSUPMUQAAGTSJ-UYAOXDASSA-N 1 0 376.907 4.145 20 0 GIADRO CC1(CNC(=O)N[C@@H](c2cc3ccccc3o2)c2ccccc2)CC[NH2+]CC1 ZINC000575733272 823983032 /nfs/dbraw/zinc/98/30/32/823983032.db2.gz PRKCBIXPXMSLRC-OAQYLSRUSA-N 1 0 377.488 4.211 20 0 GIADRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)/C=C/Sc1ccccc1)c1ccccc1O2 ZINC000170830715 823983380 /nfs/dbraw/zinc/98/33/80/823983380.db2.gz LNULLNKICJNNTK-PRDNPTHXSA-N 1 0 394.540 4.397 20 0 GIADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@H](OCC2CC2)c2ccc(Cl)cc2)s1 ZINC000414434777 823984997 /nfs/dbraw/zinc/98/49/97/823984997.db2.gz DUNYSTUNDKWQED-KRWDZBQOSA-N 1 0 399.965 4.063 20 0 GIADRO Cc1cc([NH+]2CCCCCC2)ccc1NCc1ccc(S(C)(=O)=O)s1 ZINC000414436045 823985536 /nfs/dbraw/zinc/98/55/36/823985536.db2.gz GIKOXDUFWNZEMB-UHFFFAOYSA-N 1 0 378.563 4.453 20 0 GIADRO CC(C)Oc1ccccc1C[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000170834625 823985514 /nfs/dbraw/zinc/98/55/14/823985514.db2.gz MIDKPPHVYZQFAD-UHFFFAOYSA-N 1 0 396.487 4.053 20 0 GIADRO COc1cccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)c1 ZINC000575751131 823985715 /nfs/dbraw/zinc/98/57/15/823985715.db2.gz KNABFTWOEXATJL-ODAXIHTASA-N 1 0 394.515 4.000 20 0 GIADRO COCCn1cc2c(n1)[C@H]([NH2+][C@H]1CCCc3c4cc(C)ccc4[nH]c31)CCC2 ZINC000575757114 823987053 /nfs/dbraw/zinc/98/70/53/823987053.db2.gz ZGMFPAITIVYGDS-RTWAWAEBSA-N 1 0 378.520 4.364 20 0 GIADRO Cc1cc(C[NH2+]C[C@H](c2ccc(Cl)cc2)N(C)CCC(F)(F)F)nn1C ZINC000414445694 823987143 /nfs/dbraw/zinc/98/71/43/823987143.db2.gz HWDFNARMSVKKEI-QGZVFWFLSA-N 1 0 388.865 4.097 20 0 GIADRO Cc1cc(C[NH2+][C@@H]2CCN(C(=O)Nc3ccccc3)C2)ccc1C(F)(F)F ZINC000414451729 823988008 /nfs/dbraw/zinc/98/80/08/823988008.db2.gz OFKUFJJUFQKJLI-QGZVFWFLSA-N 1 0 377.410 4.410 20 0 GIADRO CCc1ncc(C[NH2+][C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)cn1 ZINC000414451671 823988051 /nfs/dbraw/zinc/98/80/51/823988051.db2.gz NZHPKGKYDRXATL-IBGZPJMESA-N 1 0 379.426 4.315 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)C(F)(F)c3ccccc3)cc2F)CC1 ZINC000170849766 823990116 /nfs/dbraw/zinc/99/01/16/823990116.db2.gz FDDKGEXGPLPAED-UHFFFAOYSA-N 1 0 391.437 4.087 20 0 GIADRO CCOc1ccccc1NC(=O)C[N@H+](CC(C)C)[C@H]1CCCc2cccnc21 ZINC000126963615 823990324 /nfs/dbraw/zinc/99/03/24/823990324.db2.gz UNKLDOUYLJXPIM-FQEVSTJZSA-N 1 0 381.520 4.454 20 0 GIADRO O=C(Nc1ccc2c(c1)C[NH2+]C2)N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000575775153 823991546 /nfs/dbraw/zinc/99/15/46/823991546.db2.gz AXFMHWWMFJKGMA-PPUGGXLSSA-N 1 0 375.394 4.376 20 0 GIADRO O[C@H](C[NH2+]C[C@@H](c1c[nH]c2ccccc21)c1ccccc1)COc1ccccc1 ZINC000575776284 823992159 /nfs/dbraw/zinc/99/21/59/823992159.db2.gz XGTPQKKKKSZNFY-NFBKMPQASA-N 1 0 386.495 4.329 20 0 GIADRO COC(=O)[C@H](C)c1cccc(NC2CC[NH+](CCc3ccc(F)cc3)CC2)c1 ZINC000414482613 823992465 /nfs/dbraw/zinc/99/24/65/823992465.db2.gz DIPHUMQQPNCKKO-QGZVFWFLSA-N 1 0 384.495 4.221 20 0 GIADRO COc1cc(C[N@@H+]2CCSC3(CCC3)CC2)cc(OC)c1OCC(F)F ZINC000414481226 823992524 /nfs/dbraw/zinc/99/25/24/823992524.db2.gz VRXWHAOYPOKVND-UHFFFAOYSA-N 1 0 387.492 4.209 20 0 GIADRO Cc1cc2[nH]c(C(=O)Nc3cccc(C[NH+]4CCC(CO)CC4)c3)cc2c(C)c1 ZINC000126983736 823994431 /nfs/dbraw/zinc/99/44/31/823994431.db2.gz HGHWDJDQNPDAFH-UHFFFAOYSA-N 1 0 391.515 4.241 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)C12CC3CC(CC(C3)C1)C2 ZINC000126982844 823994455 /nfs/dbraw/zinc/99/44/55/823994455.db2.gz ILOWKNIIOFORLL-UHFFFAOYSA-N 1 0 382.548 4.046 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]Cc2cc(C)c3ncccc3c2)c1 ZINC000414494352 823994647 /nfs/dbraw/zinc/99/46/47/823994647.db2.gz KFKNVGMMEVLDFO-UHFFFAOYSA-N 1 0 388.920 4.280 20 0 GIADRO COC(=O)C1CCC([NH2+]C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000192442569 823994576 /nfs/dbraw/zinc/99/45/76/823994576.db2.gz JJCUZASNYCZSPE-UHFFFAOYSA-N 1 0 399.362 4.279 20 0 GIADRO CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH2+][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000126984965 823995017 /nfs/dbraw/zinc/99/50/17/823995017.db2.gz BIWKGDXKAMCSMS-OFNKIYASSA-N 1 0 399.604 4.373 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]Cc2cccc(OC(C)C)c2)c1 ZINC000414496165 823995263 /nfs/dbraw/zinc/99/52/63/823995263.db2.gz OZSNYMWLJNOSML-UHFFFAOYSA-N 1 0 381.925 4.211 20 0 GIADRO CC[C@H](CCO)C[NH2+][C@H](C)c1ccc(Br)cc1Br ZINC000126986977 823995404 /nfs/dbraw/zinc/99/54/04/823995404.db2.gz RVWADLYNTIMXIN-GHMZBOCLSA-N 1 0 379.136 4.271 20 0 GIADRO COc1ccccc1NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCCC2(C)C)cc1 ZINC000170872851 823996328 /nfs/dbraw/zinc/99/63/28/823996328.db2.gz DHMQHXKKAXMFIH-UHFFFAOYSA-N 1 0 395.503 4.151 20 0 GIADRO COc1cc(C[NH2+][C@@H]2CS[C@@H](C)C2)cc(Br)c1OC(F)F ZINC000414505425 823997519 /nfs/dbraw/zinc/99/75/19/823997519.db2.gz UPDXKWAPZYHMTO-WPRPVWTQSA-N 1 0 382.270 4.043 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+]C/C(C)=C\c2ccccc2OC(F)F)cn1 ZINC000414504872 823997527 /nfs/dbraw/zinc/99/75/27/823997527.db2.gz PGLCXCZAJIILFS-XAUNDALYSA-N 1 0 391.462 4.275 20 0 GIADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]C[C@@H]1C[C@H](C)O[C@H]1C ZINC000414510029 823998458 /nfs/dbraw/zinc/99/84/58/823998458.db2.gz DEWWWQXMDSAJPY-RCBQFDQVSA-N 1 0 392.341 4.155 20 0 GIADRO COc1cc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H]2C)cc(OC)c1OCc1ccccc1 ZINC000414510869 823998496 /nfs/dbraw/zinc/99/84/96/823998496.db2.gz FWHYKKSFGKLJMO-HLIPFELVSA-N 1 0 385.504 4.186 20 0 GIADRO COCC1CCC([NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)CC1 ZINC000414515154 823999172 /nfs/dbraw/zinc/99/91/72/823999172.db2.gz TVJDJFBSUONNRG-UHFFFAOYSA-N 1 0 378.314 4.134 20 0 GIADRO Clc1cccc(Cl)c1-c1nnc(C[N@@H+]2CC[C@H](c3cccnc3)C2)o1 ZINC000575799908 823999800 /nfs/dbraw/zinc/99/98/00/823999800.db2.gz FLRBPVXTLFDNFQ-ZDUSSCGKSA-N 1 0 375.259 4.428 20 0 GIADRO O=C(c1ccc(F)cc1)C1CC[NH+](CCCc2nc(-c3ccccc3)no2)CC1 ZINC000192462124 823999881 /nfs/dbraw/zinc/99/98/81/823999881.db2.gz XBBNMTMFCGMKSY-UHFFFAOYSA-N 1 0 393.462 4.403 20 0 GIADRO CC(C)n1nccc1NC(=O)[C@H](C)[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000192462978 824000188 /nfs/dbraw/zinc/00/01/88/824000188.db2.gz NKCNZKUTSHKBDO-SWLSCSKDSA-N 1 0 378.929 4.271 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)[C@H]1CCCc2cccnc21 ZINC000192463212 824000302 /nfs/dbraw/zinc/00/03/02/824000302.db2.gz ICFNGSAYAXOTHE-QFIPXVFZSA-N 1 0 377.532 4.194 20 0 GIADRO OC[C@H](C[NH2+]Cc1cc(Br)c(Cl)s1)c1ccc(F)cc1 ZINC000414521166 824000325 /nfs/dbraw/zinc/00/03/25/824000325.db2.gz DRAIAHZIRQVLNX-JTQLQIEISA-N 1 0 378.694 4.169 20 0 GIADRO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000575807766 824000779 /nfs/dbraw/zinc/00/07/79/824000779.db2.gz WWEYYFCYRMORDR-LBPRGKRZSA-N 1 0 393.890 4.245 20 0 GIADRO OCC1([C@H]([NH2+]Cc2ccc(C(F)(F)F)s2)c2ccccc2)CCOCC1 ZINC000414522626 824001148 /nfs/dbraw/zinc/00/11/48/824001148.db2.gz BWVHGISFCJOXOW-QGZVFWFLSA-N 1 0 385.451 4.387 20 0 GIADRO O=C(Nc1ccc(-c2noc(C(F)F)n2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000575813464 824002033 /nfs/dbraw/zinc/00/20/33/824002033.db2.gz XHLOEVCEWLGXLC-MRXNPFEDSA-N 1 0 398.413 4.135 20 0 GIADRO Clc1cccc(Cl)c1-c1nnc(C[N@@H+]2CC[C@H](c3ccncc3)C2)o1 ZINC000575813002 824002052 /nfs/dbraw/zinc/00/20/52/824002052.db2.gz TYNCXKGLCUZLSP-ZDUSSCGKSA-N 1 0 375.259 4.428 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N[C@@H](c2ccccc2)c2cccnc2)C1 ZINC000170893621 824002290 /nfs/dbraw/zinc/00/22/90/824002290.db2.gz LMIGNKKJPHZVMX-MZKRTTBSSA-N 1 0 394.563 4.228 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000192472192 824003817 /nfs/dbraw/zinc/00/38/17/824003817.db2.gz KCUJNYJCSPKVEB-ZHRRBRCNSA-N 1 0 379.529 4.478 20 0 GIADRO O=C(c1ccc(F)cc1)C1CC[NH+](CCc2nc(-c3ccccc3)no2)CC1 ZINC000192471739 824004184 /nfs/dbraw/zinc/00/41/84/824004184.db2.gz IWLOHDZDRXXHIA-UHFFFAOYSA-N 1 0 379.435 4.013 20 0 GIADRO CC(C)(C)c1csc(CNC(=O)NCc2ccccc2C[NH+]2CCCC2)n1 ZINC000170920220 824005000 /nfs/dbraw/zinc/00/50/00/824005000.db2.gz NAIPNRHUJKPJHA-UHFFFAOYSA-N 1 0 386.565 4.036 20 0 GIADRO C[NH+](C)C[C@@H](NC(=O)CCc1cccc(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000575828225 824005571 /nfs/dbraw/zinc/00/55/71/824005571.db2.gz KUWLEGDMTQACTD-GOSISDBHSA-N 1 0 382.401 4.196 20 0 GIADRO Cc1ccc(-c2ncc(C[NH2+][C@@H](c3ccccc3)C3(CO)CCOCC3)s2)o1 ZINC000414547489 824007862 /nfs/dbraw/zinc/00/78/62/824007862.db2.gz ZUFCZHGDAAZHBZ-FQEVSTJZSA-N 1 0 398.528 4.332 20 0 GIADRO COc1ccccc1-c1ccc(C[N@@H+]2CCC[C@H](N3CCCC3=O)CC2)cc1 ZINC000414549855 824009046 /nfs/dbraw/zinc/00/90/46/824009046.db2.gz MBPCRSZRDNXGIX-NRFANRHFSA-N 1 0 378.516 4.339 20 0 GIADRO CC(C)COc1ccc(CC(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)cc1 ZINC000170944868 824010154 /nfs/dbraw/zinc/01/01/54/824010154.db2.gz OFXQGORIIMYRNA-UHFFFAOYSA-N 1 0 395.547 4.045 20 0 GIADRO C[C@@H](c1ccncc1)N(C)C(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000127064800 824010288 /nfs/dbraw/zinc/01/02/88/824010288.db2.gz ZXKDLYJBDCNHBS-AQNXPRMDSA-N 1 0 394.563 4.462 20 0 GIADRO C[NH+](C)CC[C@@H](NC(=O)NC[C@@H](Cc1ccccc1)C(F)(F)F)C(C)(C)C ZINC000575845501 824010849 /nfs/dbraw/zinc/01/08/49/824010849.db2.gz OUIXSZYWNIMESA-IAGOWNOFSA-N 1 0 387.490 4.073 20 0 GIADRO Fc1cc(Br)ccc1C1CC([NH2+]Cc2nnc(C3CC3)s2)C1 ZINC000414553699 824010864 /nfs/dbraw/zinc/01/08/64/824010864.db2.gz JIDNFODMAYGRMA-UHFFFAOYSA-N 1 0 382.302 4.353 20 0 GIADRO Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000127081650 824013766 /nfs/dbraw/zinc/01/37/66/824013766.db2.gz JJXNFQOPFNPJDB-CYBMUJFWSA-N 1 0 397.466 4.181 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1cccc(OCC(F)(F)F)c1)c1ccccc1 ZINC000127085299 824014256 /nfs/dbraw/zinc/01/42/56/824014256.db2.gz WJRJQCFKFFTWDJ-QGZVFWFLSA-N 1 0 381.398 4.052 20 0 GIADRO CCOC(=O)Nc1ccc(NC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000127088865 824015064 /nfs/dbraw/zinc/01/50/64/824015064.db2.gz ICCUPNKAQJORJO-HXUWFJFHSA-N 1 0 396.491 4.214 20 0 GIADRO CCN(CC)[C@H](C[NH2+]Cc1cc2cnn(C(C)C)c2nc1Cl)c1ccco1 ZINC000127092042 824015470 /nfs/dbraw/zinc/01/54/70/824015470.db2.gz JFJXVKPQIUXSRD-QGZVFWFLSA-N 1 0 389.931 4.431 20 0 GIADRO CC[C@H]1c2ccsc2CCN1C(=O)C[NH2+][C@H](c1ccc(OC)cc1)C1CC1 ZINC000192509429 824015747 /nfs/dbraw/zinc/01/57/47/824015747.db2.gz JAVIBZQYMKXUDF-UGKGYDQZSA-N 1 0 384.545 4.333 20 0 GIADRO Brc1cccc(CN2CCC([NH2+]C/C=C\c3ccncc3)CC2)c1 ZINC000414584614 824016411 /nfs/dbraw/zinc/01/64/11/824016411.db2.gz JEMIBEUJLZYPKH-RQOWECAXSA-N 1 0 386.337 4.112 20 0 GIADRO COc1ccsc1C[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000414594130 824016639 /nfs/dbraw/zinc/01/66/39/824016639.db2.gz XOZBIIGUANLKIO-UHFFFAOYSA-N 1 0 395.366 4.273 20 0 GIADRO O=C(CCC[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)C1CC1)c1ccccc1 ZINC000575872610 824016954 /nfs/dbraw/zinc/01/69/54/824016954.db2.gz ZAVKMOTVJDIMIU-UHFFFAOYSA-N 1 0 376.500 4.206 20 0 GIADRO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1c(Cl)nccc1C(F)(F)F ZINC000127113951 824020263 /nfs/dbraw/zinc/02/02/63/824020263.db2.gz ZBPAZGCXFCMMBF-AWEZNQCLSA-N 1 0 397.828 4.148 20 0 GIADRO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1c(Cl)nccc1C(F)(F)F ZINC000127113699 824020413 /nfs/dbraw/zinc/02/04/13/824020413.db2.gz ZBPAZGCXFCMMBF-CQSZACIVSA-N 1 0 397.828 4.148 20 0 GIADRO O[C@@H](C[NH2+]Cc1ccc(Oc2ccc(F)cc2)cc1)COc1ccccc1F ZINC000575890494 824021423 /nfs/dbraw/zinc/02/14/23/824021423.db2.gz UKAKSTHGUXNHCC-SFHVURJKSA-N 1 0 385.410 4.287 20 0 GIADRO CNS(=O)(=O)Cc1ccc(C[NH2+][C@H]2CCCc3ccc(C(C)C)cc32)cc1 ZINC000127119983 824021620 /nfs/dbraw/zinc/02/16/20/824021620.db2.gz QEFWRMQSPRZLOH-QFIPXVFZSA-N 1 0 386.561 4.026 20 0 GIADRO [NH3+][C@@H]1CN(C(=O)Nc2ccc(Cl)cc2Cl)CC[C@H]1c1ccc(F)cc1 ZINC000414678026 824023046 /nfs/dbraw/zinc/02/30/46/824023046.db2.gz XRPGCDONDBCAGK-GOEBONIOSA-N 1 0 382.266 4.481 20 0 GIADRO O=C(C[NH2+]C1(c2ccc(F)cc2)CCOCC1)Nc1cccc(Cl)c1Cl ZINC000170971841 824023691 /nfs/dbraw/zinc/02/36/91/824023691.db2.gz HMORPAZYVSMLKG-UHFFFAOYSA-N 1 0 397.277 4.367 20 0 GIADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2nc(-c3ccccc3)cs2)CC1 ZINC000192540604 824025154 /nfs/dbraw/zinc/02/51/54/824025154.db2.gz LVZOCKVYXZSKBX-UHFFFAOYSA-N 1 0 381.501 4.140 20 0 GIADRO CCCCCN(Cc1ccc(F)cc1)C(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000414716898 824026118 /nfs/dbraw/zinc/02/61/18/824026118.db2.gz PCQBHFUAVZMUJU-INIZCTEOSA-N 1 0 385.483 4.003 20 0 GIADRO COc1ccc2sc(-c3nc([C@@H]4C[N@@H+]5CCC[C@]5(C)CO4)no3)c(C)c2c1 ZINC000575907096 824026100 /nfs/dbraw/zinc/02/61/00/824026100.db2.gz XIVDITMOJJZDFE-MGPUTAFESA-N 1 0 385.489 4.194 20 0 GIADRO COC(=O)Nc1ccc(C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000192543090 824026310 /nfs/dbraw/zinc/02/63/10/824026310.db2.gz IBYUCNMSODERDL-MRXNPFEDSA-N 1 0 381.476 4.349 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000127150204 824027212 /nfs/dbraw/zinc/02/72/12/824027212.db2.gz VOGUNLNAOALPCG-GDBMZVCRSA-N 1 0 380.916 4.147 20 0 GIADRO [NH3+][C@@H]1CCC[C@H](NC(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)C1 ZINC000414723894 824027595 /nfs/dbraw/zinc/02/75/95/824027595.db2.gz DACJIWNWFRVHNY-WBVHZDCISA-N 1 0 380.517 4.279 20 0 GIADRO CC[C@H](C(=O)Nc1ccc(CN(C(C)=O)C(C)C)cc1)[N@H+](C)Cc1ccccc1 ZINC000575912165 824028087 /nfs/dbraw/zinc/02/80/87/824028087.db2.gz JGGWBJFFUQTHGH-HSZRJFAPSA-N 1 0 395.547 4.293 20 0 GIADRO C[C@H]1CN(C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)CC[C@@H]1[NH3+] ZINC000414732058 824029597 /nfs/dbraw/zinc/02/95/97/824029597.db2.gz UIANWWROXGJASE-YOEHRIQHSA-N 1 0 380.517 4.088 20 0 GIADRO CCCO[C@H]1CCC[N@H+](CC(=O)N2CC[C@H](C)Sc3ccccc32)CC1 ZINC000170990140 824029674 /nfs/dbraw/zinc/02/96/74/824029674.db2.gz VRGULCTZXXOFQU-ROUUACIJSA-N 1 0 376.566 4.185 20 0 GIADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)Nc1ccc(Oc2ccc(Br)cc2)cc1 ZINC000414732855 824030007 /nfs/dbraw/zinc/03/00/07/824030007.db2.gz VDLYXOPEPAGFNG-SJCJKPOMSA-N 1 0 390.281 4.195 20 0 GIADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C[C@H]2CCCc3ccccc32)cc1 ZINC000170990876 824030145 /nfs/dbraw/zinc/03/01/45/824030145.db2.gz BUAOTGOZJNKQBQ-GOSISDBHSA-N 1 0 379.504 4.026 20 0 GIADRO CC(C)C[C@H]([NH3+])c1noc(CSc2nncn2-c2ccc(C(C)C)cc2)n1 ZINC000575922366 824030160 /nfs/dbraw/zinc/03/01/60/824030160.db2.gz UXVBDXZUTKVQJH-INIZCTEOSA-N 1 0 386.525 4.112 20 0 GIADRO C[C@@H]1CCN(C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)C[C@H]1C[NH3+] ZINC000414734622 824030345 /nfs/dbraw/zinc/03/03/45/824030345.db2.gz WIHJOFPVKBJWNR-NVXWUHKLSA-N 1 0 394.544 4.336 20 0 GIADRO C[C@@H]([NH3+])c1ccc(CNC(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)cc1 ZINC000414736030 824030697 /nfs/dbraw/zinc/03/06/97/824030697.db2.gz MKWVZARPSQINIV-GFCCVEGCSA-N 1 0 380.414 4.113 20 0 GIADRO CCCN(C(=O)C(=O)Nc1ccc(C[NH2+]C)cc1)[C@@H](C)c1cc2ccccc2o1 ZINC000414742049 824031645 /nfs/dbraw/zinc/03/16/45/824031645.db2.gz LTJHEHCZGKERFI-INIZCTEOSA-N 1 0 393.487 4.091 20 0 GIADRO COc1ccc(Oc2ccc(Cl)cc2NC(=O)N2CC[C@](C)(C[NH3+])C2)cc1 ZINC000414739907 824031696 /nfs/dbraw/zinc/03/16/96/824031696.db2.gz ZZBOFOZHCRDQRB-HXUWFJFHSA-N 1 0 389.883 4.344 20 0 GIADRO O=C(Nc1cccc(C[S@](=O)C2CCCCC2)c1)C1CC[NH+](C2CC2)CC1 ZINC000192560549 824031783 /nfs/dbraw/zinc/03/17/83/824031783.db2.gz GPQMCDQNHSOLBH-MHZLTWQESA-N 1 0 388.577 4.081 20 0 GIADRO C[C@@H]1CN(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)C[C@@]1(C)C[NH3+] ZINC000414750156 824032698 /nfs/dbraw/zinc/03/26/98/824032698.db2.gz KVTLEFGAWXYADL-SPLOXXLWSA-N 1 0 380.517 4.412 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)[C@@H]1n1cccn1 ZINC000575940780 824033103 /nfs/dbraw/zinc/03/31/03/824033103.db2.gz PJTIUNXHGATILZ-VWPQPMDRSA-N 1 0 383.442 4.259 20 0 GIADRO CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)cc1Cl ZINC000575943337 824033520 /nfs/dbraw/zinc/03/35/20/824033520.db2.gz SLMVDBORHSMSTI-DYVFJYSZSA-N 1 0 394.865 4.041 20 0 GIADRO CCN(C(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1)[C@@H](C)c1cc2ccccc2o1 ZINC000414760994 824033744 /nfs/dbraw/zinc/03/37/44/824033744.db2.gz ZQUKDJJJRJTROL-CABCVRRESA-N 1 0 379.460 4.001 20 0 GIADRO C[NH2+]CCC1CCN(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)CC1 ZINC000414764469 824034272 /nfs/dbraw/zinc/03/42/72/824034272.db2.gz DWPTVDRTDQZZOO-UHFFFAOYSA-N 1 0 378.476 4.348 20 0 GIADRO C[NH2+]CCC1CCN(C(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)CC1 ZINC000414777405 824034908 /nfs/dbraw/zinc/03/49/08/824034908.db2.gz FGAUBAVMLGLLCE-UHFFFAOYSA-N 1 0 393.837 4.135 20 0 GIADRO CCc1ccccc1[C@H]([NH3+])CNC(=O)Nc1ccc(OCC(F)(F)F)cc1 ZINC000414779224 824035354 /nfs/dbraw/zinc/03/53/54/824035354.db2.gz ZVUJMPKEUXVCAZ-QGZVFWFLSA-N 1 0 381.398 4.012 20 0 GIADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)Nc2ccc(OC(F)F)c(Cc3ccccc3)c2)C1 ZINC000414781338 824035474 /nfs/dbraw/zinc/03/54/74/824035474.db2.gz HITQUTNDCDKTSE-WBVHZDCISA-N 1 0 389.446 4.128 20 0 GIADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)Nc1cc(Cl)ccc1OCC(F)(F)F ZINC000414785183 824036159 /nfs/dbraw/zinc/03/61/59/824036159.db2.gz JECFNGPLTYGMTL-ZWNOBZJWSA-N 1 0 379.810 4.015 20 0 GIADRO [NH3+]CCCN(Cc1ccccc1)C(=O)Nc1ccccc1N1CCCCCC1 ZINC000414786692 824036249 /nfs/dbraw/zinc/03/62/49/824036249.db2.gz LBXOQTPNTZNWFJ-UHFFFAOYSA-N 1 0 380.536 4.450 20 0 GIADRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)cc1 ZINC000414789663 824036639 /nfs/dbraw/zinc/03/66/39/824036639.db2.gz YKGWTAVYPCAHFO-FQEVSTJZSA-N 1 0 396.535 4.160 20 0 GIADRO CCCn1ccnc1CCC[N@H+](C)Cc1cc(-c2ccncc2)ccc1OC ZINC000575955905 824036685 /nfs/dbraw/zinc/03/66/85/824036685.db2.gz AXTJRPJZICYTRG-UHFFFAOYSA-N 1 0 378.520 4.428 20 0 GIADRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)Nc2ccccc2N2CCCCCC2)CC1 ZINC000414791795 824036964 /nfs/dbraw/zinc/03/69/64/824036964.db2.gz QZYDSEVTIWJMIH-NRFANRHFSA-N 1 0 384.568 4.309 20 0 GIADRO CC(C)C(=O)N1CCC([NH2+][C@@H](Cc2cccnc2)c2cccc(Cl)c2)CC1 ZINC000575959328 824038298 /nfs/dbraw/zinc/03/82/98/824038298.db2.gz SXIVMCQIEQLSPN-NRFANRHFSA-N 1 0 385.939 4.255 20 0 GIADRO [NH3+]CCN(Cc1ccccc1)C(=O)Nc1cc(Cl)ccc1N1CCCCC1 ZINC000414817509 824039076 /nfs/dbraw/zinc/03/90/76/824039076.db2.gz ATCPXQUTEGZNSN-UHFFFAOYSA-N 1 0 386.927 4.323 20 0 GIADRO CC[C@H](C(=O)N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)[N@H+](C)Cc1ccccc1 ZINC000575961956 824039390 /nfs/dbraw/zinc/03/93/90/824039390.db2.gz SJZBBEXFIBORHQ-YPAWHYETSA-N 1 0 384.495 4.073 20 0 GIADRO O=C(Nc1cc(Cl)ccc1N1CCCCC1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414824658 824040003 /nfs/dbraw/zinc/04/00/03/824040003.db2.gz REHCUJBRTUXHKZ-IAGOWNOFSA-N 1 0 390.959 4.184 20 0 GIADRO Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000414837397 824040772 /nfs/dbraw/zinc/04/07/72/824040772.db2.gz HETJFAKJVAQEIA-JOCHJYFZSA-N 1 0 382.508 4.132 20 0 GIADRO CC[NH2+]CC1CCN(C(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2C)CC1 ZINC000414839927 824040843 /nfs/dbraw/zinc/04/08/43/824040843.db2.gz JZBFLNQPCFOQFJ-UHFFFAOYSA-N 1 0 394.519 4.101 20 0 GIADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)Nc1cc(C(C)(C)C)nn1-c1cccc(Cl)c1 ZINC000414854166 824042515 /nfs/dbraw/zinc/04/25/15/824042515.db2.gz UALVOKWGEORICJ-ZIAGYGMSSA-N 1 0 389.931 4.024 20 0 GIADRO CC[NH2+]Cc1cccc(NCc2ccc(OC)c(OCc3cccnc3)c2)c1 ZINC000414865137 824043428 /nfs/dbraw/zinc/04/34/28/824043428.db2.gz KFNMRAVZOLUXAH-UHFFFAOYSA-N 1 0 377.488 4.391 20 0 GIADRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000414882716 824044664 /nfs/dbraw/zinc/04/46/64/824044664.db2.gz CFDTTXMKVXAVFR-KRWDZBQOSA-N 1 0 395.507 4.293 20 0 GIADRO [NH3+]CCCCC(=O)Nc1cccc(NC(=O)Nc2cccc3c2CCCC3)c1 ZINC000575989446 824045292 /nfs/dbraw/zinc/04/52/92/824045292.db2.gz HBGBOJKRLFNASJ-UHFFFAOYSA-N 1 0 380.492 4.277 20 0 GIADRO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NCc2cnc(-c3cccs3)s2)cc1 ZINC000414886934 824045522 /nfs/dbraw/zinc/04/55/22/824045522.db2.gz QDPYDUHZHGYRJB-ZWKOTPCHSA-N 1 0 385.558 4.116 20 0 GIADRO CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+][C@H](C)c1ccc(-n3cncn3)cc1)CCC2 ZINC000192610698 824045406 /nfs/dbraw/zinc/04/54/06/824045406.db2.gz QUVCDQPDTXXCFA-QAPCUYQASA-N 1 0 394.475 4.074 20 0 GIADRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000414890917 824045806 /nfs/dbraw/zinc/04/58/06/824045806.db2.gz NKLPOMIAWMKBTE-FQEVSTJZSA-N 1 0 395.507 4.278 20 0 GIADRO CCC(=O)Nc1ccc(Cl)c(NC(=O)N(CCC[NH3+])CC2CCCC2)c1 ZINC000414889174 824045944 /nfs/dbraw/zinc/04/59/44/824045944.db2.gz KYJSSZVEELRUIZ-UHFFFAOYSA-N 1 0 380.920 4.061 20 0 GIADRO O=C(CCc1ccc(F)cc1F)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000575995596 824046207 /nfs/dbraw/zinc/04/62/07/824046207.db2.gz QZYYEWKTAJVROJ-HSZRJFAPSA-N 1 0 384.470 4.022 20 0 GIADRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000414892552 824046360 /nfs/dbraw/zinc/04/63/60/824046360.db2.gz QDCWFKFCBDMTAV-OXJNMPFZSA-N 1 0 395.507 4.373 20 0 GIADRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3cc(C)oc3C)n2C2CC2)CC1 ZINC000575996459 824046555 /nfs/dbraw/zinc/04/65/55/824046555.db2.gz SFGBOFACHZXDHG-UHFFFAOYSA-N 1 0 385.556 4.438 20 0 GIADRO Cn1ccnc1[C@H](O)C1CC[NH+](CCCc2c(Cl)cccc2Cl)CC1 ZINC000192624250 824048288 /nfs/dbraw/zinc/04/82/88/824048288.db2.gz ZNXXAAGMGUCOPC-GOSISDBHSA-N 1 0 382.335 4.105 20 0 GIADRO C[NH+](C)C[C@@H](NC(=O)c1cccc([C@H]2CCCOC2)c1)c1ccc(Cl)cc1 ZINC000576010390 824049323 /nfs/dbraw/zinc/04/93/23/824049323.db2.gz LCCCMVHBQJUZGL-PZJWPPBQSA-N 1 0 386.923 4.267 20 0 GIADRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)cc1 ZINC000414919179 824050085 /nfs/dbraw/zinc/05/00/85/824050085.db2.gz WJQKMNWXSMKUCS-FCHUYYIVSA-N 1 0 397.519 4.189 20 0 GIADRO Cc1ccc(C[C@H]2CCC[N@H+](CC(=O)N3CCC[C@@H](C(F)(F)F)C3)C2)cc1 ZINC000576018785 824050452 /nfs/dbraw/zinc/05/04/52/824050452.db2.gz WLFXCFVPHDSDQZ-RTBURBONSA-N 1 0 382.470 4.050 20 0 GIADRO CCC(C)(C)NC(=O)c1ccc(NC(=O)N[C@H](CCC[NH3+])c2ccccc2)cc1 ZINC000414925645 824050971 /nfs/dbraw/zinc/05/09/71/824050971.db2.gz ITSJOEFISZNBAE-HXUWFJFHSA-N 1 0 396.535 4.207 20 0 GIADRO CCOc1c(OC)cc(CN[C@H](C[NH3+])c2ccc3ccccc3c2)cc1OC ZINC000414939726 824052324 /nfs/dbraw/zinc/05/23/24/824052324.db2.gz JLICPYPANTVYOB-HXUWFJFHSA-N 1 0 380.488 4.045 20 0 GIADRO O=C(C1CCC1)N(CCC[NH2+][C@H](c1ccc(F)cc1)c1cccnc1)C1CC1 ZINC000576026142 824052453 /nfs/dbraw/zinc/05/24/53/824052453.db2.gz GBIVFWWSXWFOPD-JOCHJYFZSA-N 1 0 381.495 4.081 20 0 GIADRO C[C@H]([NH3+])c1ccc(NC(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2)cc1 ZINC000414946116 824052744 /nfs/dbraw/zinc/05/27/44/824052744.db2.gz SPXSPSAPWYKOHR-CVEARBPZSA-N 1 0 380.492 4.365 20 0 GIADRO COc1ccc2onc(CC(=O)Nc3ccc(C[N@@H+]4CCCC[C@@H]4C)cc3)c2c1 ZINC000414950144 824053282 /nfs/dbraw/zinc/05/32/82/824053282.db2.gz HIFMWILBPPSKGB-INIZCTEOSA-N 1 0 393.487 4.392 20 0 GIADRO Cc1cc(C[NH+]2CCC(C(=O)c3ccc4c(c3)NC(=O)[C@@H](C)O4)CC2)c(C)s1 ZINC000171065421 824053400 /nfs/dbraw/zinc/05/34/00/824053400.db2.gz MGXVGGPFFKGJLU-CQSZACIVSA-N 1 0 398.528 4.179 20 0 GIADRO Fc1ccc([C@H]2CC[NH2+]C[C@@H]2NCc2cnc(-c3ccsc3)s2)cc1F ZINC000414948357 824053416 /nfs/dbraw/zinc/05/34/16/824053416.db2.gz MDAPAWMGPWCWQT-QAPCUYQASA-N 1 0 391.512 4.385 20 0 GIADRO COc1cc(C[N@H+](C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C2CC2)ccc1O ZINC000192640251 824053781 /nfs/dbraw/zinc/05/37/81/824053781.db2.gz IUGIXNHWFWLOEG-JOCHJYFZSA-N 1 0 390.524 4.012 20 0 GIADRO CC(C)(C)c1cc(CN[C@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)no1 ZINC000576031832 824053988 /nfs/dbraw/zinc/05/39/88/824053988.db2.gz QXGJWOUDOZMTFR-IBGZPJMESA-N 1 0 382.426 4.482 20 0 GIADRO C[C@@H](CCCC[NH3+])NC(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1 ZINC000414966593 824055228 /nfs/dbraw/zinc/05/52/28/824055228.db2.gz OQUGDVKKJOAURS-AWEZNQCLSA-N 1 0 394.947 4.042 20 0 GIADRO COc1cccc(Oc2ccc(NC(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)cc2)c1 ZINC000414968036 824055667 /nfs/dbraw/zinc/05/56/67/824055667.db2.gz FJDGRQPJOAHPAI-ONGXBYRLSA-N 1 0 381.476 4.079 20 0 GIADRO Cc1c(C(=O)Nc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)[nH]c2c1C(=O)CCC2 ZINC000053720545 205138408 /nfs/dbraw/zinc/13/84/08/205138408.db2.gz GLURSXCOTNAPMA-HNNXBMFYSA-N 1 0 379.504 4.469 20 0 GIADRO COc1cccc(-c2cc(C(F)(F)N3CCC(F)(C[NH3+])CC3)cnc2Cl)c1 ZINC001164388524 718813705 /nfs/dbraw/zinc/81/37/05/718813705.db2.gz OWHATMQBEGEGSB-UHFFFAOYSA-N 1 0 399.844 4.223 20 0 GIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3C(=O)c4ccccc4[C@H]3C2)nc1 ZINC001164408759 718849256 /nfs/dbraw/zinc/84/92/56/718849256.db2.gz SVPCGAUOUMFQAX-BHIFYINESA-N 1 0 375.516 4.435 20 0 GIADRO Cc1cc(C(F)(F)N2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cc(Cl)n1 ZINC001164620647 719043551 /nfs/dbraw/zinc/04/35/51/719043551.db2.gz GKSHSOSFRBBRFA-IEBWSBKVSA-N 1 0 377.866 4.172 20 0 GIADRO FC(F)(c1ccc(Cl)nc1)N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164618362 719050515 /nfs/dbraw/zinc/05/05/15/719050515.db2.gz AVFPVIREYAULLQ-FUHWJXTLSA-N 1 0 377.866 4.381 20 0 GIADRO Clc1ccc2ncnc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)c2c1 ZINC001164620496 719064592 /nfs/dbraw/zinc/06/45/92/719064592.db2.gz FNMYZPCGEFPAII-LAUBAEHRSA-N 1 0 378.907 4.384 20 0 GIADRO Clc1nnc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c2sccc21 ZINC001164622852 719065777 /nfs/dbraw/zinc/06/57/77/719065777.db2.gz IZRHERPUDUFEIU-NVXWUHKLSA-N 1 0 384.936 4.446 20 0 GIADRO Cc1nc2ccc(F)cc2c(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164619047 719068288 /nfs/dbraw/zinc/06/82/88/719068288.db2.gz CDVXTFILQONTMX-GCJKJVERSA-N 1 0 376.479 4.178 20 0 GIADRO Clc1ccc2c(c1)ncnc2N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164627770 719070982 /nfs/dbraw/zinc/07/09/82/719070982.db2.gz QPOCWDCAOAPMDM-DYESRHJHSA-N 1 0 378.907 4.384 20 0 GIADRO CC(C)(C)OC(=O)c1ccc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1 ZINC001164623639 719076668 /nfs/dbraw/zinc/07/66/68/719076668.db2.gz KBPRBTUWRCGXKG-NHCUHLMSSA-N 1 0 393.531 4.138 20 0 GIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(C)nc4sccc42)CC3)cs1 ZINC001164693407 719803166 /nfs/dbraw/zinc/80/31/66/719803166.db2.gz SOXYILLJWWVLHM-UHFFFAOYSA-N 1 0 399.589 4.400 20 0 GIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ncnc4cc(F)ccc42)CC3)cs1 ZINC001164693815 719804569 /nfs/dbraw/zinc/80/45/69/719804569.db2.gz VFHLLUZXINESRE-UHFFFAOYSA-N 1 0 397.523 4.169 20 0 GIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ccc(Cl)c(C)n2)CC3)cs1 ZINC001164692460 719807022 /nfs/dbraw/zinc/80/70/22/719807022.db2.gz HOFMIEQZBQIGKD-UHFFFAOYSA-N 1 0 376.957 4.443 20 0 GIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(C)c4ccccc4n2)CC3)cs1 ZINC001164694079 719807658 /nfs/dbraw/zinc/80/76/58/719807658.db2.gz UOBQVAKCRJOSSQ-UHFFFAOYSA-N 1 0 393.560 4.338 20 0 GIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nccc3ccc(Cl)cc31)C2 ZINC001164806439 720099440 /nfs/dbraw/zinc/09/94/40/720099440.db2.gz CTUCJTWVFGELMA-PGRDOPGGSA-N 1 0 385.939 4.073 20 0 GIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(Cl)nc3sccc31)C2 ZINC001164805879 720099761 /nfs/dbraw/zinc/09/97/61/720099761.db2.gz AIKSNUJEJUNNDE-QRWLVFNGSA-N 1 0 391.968 4.134 20 0 GIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc3cccc(Cl)c3n1)C2 ZINC001164806957 720101364 /nfs/dbraw/zinc/10/13/64/720101364.db2.gz ABYSBUIPWDOCBN-PGRDOPGGSA-N 1 0 385.939 4.073 20 0 GIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc3c(C)ccc(F)c3cc1C)C2 ZINC001164813252 720137623 /nfs/dbraw/zinc/13/76/23/720137623.db2.gz PXJXVXBTMHIUGA-YADARESESA-N 1 0 397.538 4.175 20 0 GIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc3ccc(Cl)c(C)c3n1)C2 ZINC001164814380 720152022 /nfs/dbraw/zinc/15/20/22/720152022.db2.gz FXZWHFYNMBYCAC-XXBNENTESA-N 1 0 399.966 4.381 20 0 GIADRO COc1cccc2c(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)cc(Cl)nc12 ZINC001164721187 720329915 /nfs/dbraw/zinc/32/99/15/720329915.db2.gz BAFWXKCRFKXMLO-ZWKOTPCHSA-N 1 0 394.906 4.145 20 0 GIADRO Fc1ccc2nc(Cl)cc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c2c1 ZINC001164729766 720358207 /nfs/dbraw/zinc/35/82/07/720358207.db2.gz XYGHZFOFSAEMDK-MOPGFXCFSA-N 1 0 382.870 4.276 20 0 GIADRO Cc1ccc2nc(Cl)cc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c2c1 ZINC001164722485 720363852 /nfs/dbraw/zinc/36/38/52/720363852.db2.gz CUOHMAMZPZRVNF-VQTJNVASSA-N 1 0 378.907 4.445 20 0 GIADRO Clc1ccccc1-c1ccc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)nn1 ZINC001164728305 720409704 /nfs/dbraw/zinc/40/97/04/720409704.db2.gz SXCRSTQOYVSJEO-LEWJYISDSA-N 1 0 391.906 4.045 20 0 GIADRO Cc1ccc2cc(Cl)nc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c2c1 ZINC001164731605 720411556 /nfs/dbraw/zinc/41/15/56/720411556.db2.gz MCPGITKMMGONDH-WOJBJXKFSA-N 1 0 378.907 4.445 20 0 GIADRO Clc1cc(C2CCCCC2)nc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164724448 720476246 /nfs/dbraw/zinc/47/62/46/720476246.db2.gz GHFBZQGHIKIJNK-UXHICEINSA-N 1 0 397.954 4.426 20 0 GIADRO Cc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc2ccccc12 ZINC001164843062 720538392 /nfs/dbraw/zinc/53/83/92/720538392.db2.gz ZUEHJIYPADYXEG-SXWKCWPCSA-N 1 0 389.547 4.118 20 0 GIADRO Cc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc2ccccc12 ZINC001164843066 720538942 /nfs/dbraw/zinc/53/89/42/720538942.db2.gz ZUEHJIYPADYXEG-ZRCGQRJVSA-N 1 0 389.547 4.118 20 0 GIADRO Cc1ccc2ccnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)c2c1 ZINC001164838052 720541560 /nfs/dbraw/zinc/54/15/60/720541560.db2.gz NRBRDHILBLFUDO-QNWVGRARSA-N 1 0 389.547 4.118 20 0 GIADRO Cc1ccc(Cl)nc1C(F)(F)N([C@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001164736184 720545408 /nfs/dbraw/zinc/54/54/08/720545408.db2.gz VEJBUPICYQOOFO-CQSZACIVSA-N 1 0 387.902 4.104 20 0 GIADRO Cc1ccc(Cl)nc1N1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164844241 720657218 /nfs/dbraw/zinc/65/72/18/720657218.db2.gz ZGWFENGZOOGHJN-LJQANCHMSA-N 1 0 385.939 4.303 20 0 GIADRO Cc1cc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc2[nH]ccc21 ZINC001164842707 720701973 /nfs/dbraw/zinc/70/19/73/720701973.db2.gz MUVUSSYMDFKADC-HXUWFJFHSA-N 1 0 390.531 4.131 20 0 GIADRO CSc1cc(Cl)ncc1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001164857060 720952153 /nfs/dbraw/zinc/95/21/53/720952153.db2.gz GIVGTRREANNLLU-CYBMUJFWSA-N 1 0 379.961 4.075 20 0 GIADRO Cc1sc2nc(C)nc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@H]3C)c2c1C ZINC001164859347 720958561 /nfs/dbraw/zinc/95/85/61/720958561.db2.gz MWSXHGKMMVBEIE-CQSZACIVSA-N 1 0 398.580 4.234 20 0 GIADRO Cc1nc2cc(Cl)ccc2c(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)n1 ZINC001164856135 720962268 /nfs/dbraw/zinc/96/22/68/720962268.db2.gz AVZXPPQFIPXKBJ-CQSZACIVSA-N 1 0 398.942 4.210 20 0 GIADRO Cc1ccc(C[NH+]2CCC3(CCN(c4ncnc5cc[nH]c54)CC3)CC2)cc1 ZINC001164768453 721042059 /nfs/dbraw/zinc/04/20/59/721042059.db2.gz UKYTXVJDLSINIX-UHFFFAOYSA-N 1 0 375.520 4.149 20 0 GIADRO Cc1ccc2nc(Cl)cc(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)c2c1 ZINC001164783947 721403578 /nfs/dbraw/zinc/40/35/78/721403578.db2.gz IYEKBPLJMJWNJI-HUUCEWRRSA-N 1 0 384.936 4.221 20 0 GIADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc(-c3ccccc3)nn1)CC2 ZINC001164791840 721492156 /nfs/dbraw/zinc/49/21/56/721492156.db2.gz FQODBIUFYZVDDZ-UHFFFAOYSA-N 1 0 399.542 4.420 20 0 GIADRO CC(C)Oc1cccc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164791982 721496699 /nfs/dbraw/zinc/49/66/99/721496699.db2.gz IDUSWIIDFAKSMW-UHFFFAOYSA-N 1 0 380.536 4.145 20 0 GIADRO Cc1cc(Cl)cc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164908474 721584878 /nfs/dbraw/zinc/58/48/78/721584878.db2.gz ZIBVLNUDMHMKQX-LJQANCHMSA-N 1 0 392.881 4.176 20 0 GIADRO Fc1cnc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c(Cl)c1 ZINC001164904858 721698214 /nfs/dbraw/zinc/69/82/14/721698214.db2.gz GZMAGHLGCBGVKZ-GOSISDBHSA-N 1 0 396.844 4.007 20 0 GIADRO Cc1cc2c(ccnc2N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)o1 ZINC001164912578 721728890 /nfs/dbraw/zinc/72/88/90/721728890.db2.gz NYAFFHLMNLOLEW-OAQYLSRUSA-N 1 0 398.457 4.269 20 0 GIADRO Cc1nc2sccc2c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165028860 721798664 /nfs/dbraw/zinc/79/86/64/721798664.db2.gz ZYRFNGZBVWBEMK-FFZOFVMBSA-N 1 0 393.560 4.132 20 0 GIADRO Cc1cc2c(ncnc2N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)s1 ZINC001165023332 721798821 /nfs/dbraw/zinc/79/88/21/721798821.db2.gz JNEUQKSFGRDQAT-DBVUQKKJSA-N 1 0 393.560 4.132 20 0 GIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCc3ncnc(C4CC4)c3CC2)nc1 ZINC001164914742 721804261 /nfs/dbraw/zinc/80/42/61/721804261.db2.gz FNIUMGHGZSXGSF-JOCHJYFZSA-N 1 0 391.563 4.291 20 0 GIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)cc4[nH]ccc43)C[C@@H]21 ZINC001165027575 721805364 /nfs/dbraw/zinc/80/53/64/721805364.db2.gz WKQGCOUFWGWRKW-MOXGXCLJSA-N 1 0 395.938 4.348 20 0 GIADRO Cc1cccc2c1ncnc2N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165018588 721806053 /nfs/dbraw/zinc/80/60/53/721806053.db2.gz BJYFBPACRIJWOA-YUXAGFNASA-N 1 0 387.531 4.070 20 0 GIADRO CCCSc1cncc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165027069 721826236 /nfs/dbraw/zinc/82/62/36/721826236.db2.gz RPYJVRTVRDBARQ-SXLOBPIMSA-N 1 0 397.592 4.111 20 0 GIADRO CCCSc1cncc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165027070 721826244 /nfs/dbraw/zinc/82/62/44/721826244.db2.gz RPYJVRTVRDBARQ-YSIASYRMSA-N 1 0 397.592 4.111 20 0 GIADRO C[NH+](C)[C@H]1CCCN(C(F)(F)c2ccc3nc(Cl)c(Cl)nc3c2)C1 ZINC001165037289 721892084 /nfs/dbraw/zinc/89/20/84/721892084.db2.gz AIPWMNHYFPLWPT-NSHDSACASA-N 1 0 375.250 4.012 20 0 GIADRO C[NH+](C)[C@@H]1CCCN(C(F)(F)c2cc(-c3ccc(F)cc3)nnc2Cl)C1 ZINC001165036569 721899567 /nfs/dbraw/zinc/89/95/67/721899567.db2.gz HMVWLBUJAYISHA-CQSZACIVSA-N 1 0 384.833 4.011 20 0 GIADRO Cc1ccc(-c2cc(C(F)(F)N3CCC[C@@H]([NH+](C)C)C3)c(Cl)nn2)cc1 ZINC001165038897 721899619 /nfs/dbraw/zinc/89/96/19/721899619.db2.gz STRDTDJQGUHTOD-OAHLLOKOSA-N 1 0 380.870 4.181 20 0 GIADRO CSc1cnc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)c(C)c1 ZINC001164939031 721929534 /nfs/dbraw/zinc/92/95/34/721929534.db2.gz HMBDZQXJOMBHDV-UHFFFAOYSA-N 1 0 397.588 4.292 20 0 GIADRO CN(CC1CC[NH+](C)CC1)C(F)(F)c1cc(-c2cccs2)nnc1Cl ZINC001165042115 721937140 /nfs/dbraw/zinc/93/71/40/721937140.db2.gz GDMGNRCKHWLQDU-UHFFFAOYSA-N 1 0 386.899 4.181 20 0 GIADRO CN(CC1CC[NH+](C)CC1)C(F)(F)c1cnc(Cl)c(-c2ccncc2)c1 ZINC001165045118 721938285 /nfs/dbraw/zinc/93/82/85/721938285.db2.gz UHSKYLNLDWQIHA-UHFFFAOYSA-N 1 0 380.870 4.120 20 0 GIADRO CCOC(=O)c1c(Cl)cc(C)nc1N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001165045864 721965548 /nfs/dbraw/zinc/96/55/48/721965548.db2.gz CIZPQUSDXPXTRV-MRXNPFEDSA-N 1 0 379.932 4.065 20 0 GIADRO FC(F)(c1nc(Cl)cc(Cl)n1)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001165046817 721966037 /nfs/dbraw/zinc/96/60/37/721966037.db2.gz PDWBQUHOOIVDDB-GFCCVEGCSA-N 1 0 379.282 4.173 20 0 GIADRO Fc1cc2nc(Cl)c(N3CCCC[C@H]3CC[NH+]3CCCC3)nc2cc1F ZINC001165048362 721969014 /nfs/dbraw/zinc/96/90/14/721969014.db2.gz OQLJWLBXLGBSAW-ZDUSSCGKSA-N 1 0 380.870 4.406 20 0 GIADRO CCOC(=O)c1cnc(Cl)c(C)c1N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001165048886 721971805 /nfs/dbraw/zinc/97/18/05/721971805.db2.gz PCSMQLQKOYVVTM-MRXNPFEDSA-N 1 0 379.932 4.065 20 0 GIADRO CC(C)(C)NC(=O)c1ccc(Cl)nc1N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001165046461 721971828 /nfs/dbraw/zinc/97/18/28/721971828.db2.gz FPEMCYQRFAGTPC-MRXNPFEDSA-N 1 0 392.975 4.108 20 0 GIADRO COc1ccc2nc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)ccc2c1 ZINC001164953639 722015859 /nfs/dbraw/zinc/01/58/59/722015859.db2.gz WMGVKERARMTPKN-UHFFFAOYSA-N 1 0 388.515 4.131 20 0 GIADRO Clc1ccnc2cc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)ncc12 ZINC001164952554 722017172 /nfs/dbraw/zinc/01/71/72/722017172.db2.gz NKBUQYPLWBUOBL-UHFFFAOYSA-N 1 0 393.922 4.171 20 0 GIADRO Clc1cc2cc[nH]c2nc1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164955298 722019573 /nfs/dbraw/zinc/01/95/73/722019573.db2.gz DWPWDEKERVQPIU-UHFFFAOYSA-N 1 0 381.911 4.055 20 0 GIADRO c1ccc2c(c1)[C@H]1CN(c3ncccc3C[NH+]3CCCC3)C[C@@H]1[C@@H]2OCC1CC1 ZINC001164977447 722171754 /nfs/dbraw/zinc/17/17/54/722171754.db2.gz NXZWZRDDYAYVQL-TZRRMPRUSA-N 1 0 389.543 4.379 20 0 GIADRO Cc1csc2ncnc(N3CCC[C@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)c12 ZINC001164993237 722191196 /nfs/dbraw/zinc/19/11/96/722191196.db2.gz DEVGGUDQPHBWLD-NRFANRHFSA-N 1 0 382.508 4.384 20 0 GIADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2nnc(Cl)c4cccnc42)C3)c1 ZINC001164996010 722200551 /nfs/dbraw/zinc/20/05/51/722200551.db2.gz RJIQYMOHESHKAQ-OAQYLSRUSA-N 1 0 397.885 4.062 20 0 GIADRO COc1nc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)ccc1Cl ZINC001164995985 722205696 /nfs/dbraw/zinc/20/56/96/722205696.db2.gz RCYXYVVETOUWBP-FQEVSTJZSA-N 1 0 375.875 4.128 20 0 GIADRO CCOC(=O)c1csc(C2CC[NH+](Cc3ccc(SC)s3)CC2)n1 ZINC000570490682 823045646 /nfs/dbraw/zinc/04/56/46/823045646.db2.gz GQIMSCXXMNCNSM-UHFFFAOYSA-N 1 0 382.576 4.483 20 0 GIADRO CCc1cc2c(C[N@@H+]3CCC[C@H]3C[C@H](O)c3cccs3)cc(=O)oc2cc1O ZINC000175814466 823046474 /nfs/dbraw/zinc/04/64/74/823046474.db2.gz NUDNSBDZTCVQCG-LPHOPBHVSA-N 1 0 399.512 4.211 20 0 GIADRO Clc1ccc(-n2cc(N[C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)cn2)cc1 ZINC000570507654 823048080 /nfs/dbraw/zinc/04/80/80/823048080.db2.gz YZILPVCXOVYPEH-FPOVZHCZSA-N 1 0 380.879 4.194 20 0 GIADRO CC(C)[N@@H+]1CCCN(C(=O)Nc2ccc(OC(F)(F)F)c(Cl)c2)CC1 ZINC000570513435 823048619 /nfs/dbraw/zinc/04/86/19/823048619.db2.gz XINVTUVSOMVFCV-UHFFFAOYSA-N 1 0 379.810 4.187 20 0 GIADRO O=C(NCCc1c[nH]c2ccc(Cl)cc12)NC1CC[NH+](C2CCCC2)CC1 ZINC000175826218 823049016 /nfs/dbraw/zinc/04/90/16/823049016.db2.gz DBZLARIEJLFKQG-UHFFFAOYSA-N 1 0 388.943 4.070 20 0 GIADRO CC(C)OCC[NH+]1CCC(NC(=O)N2CC3(CCCC3)[C@@H]2c2ccccc2)CC1 ZINC000458516701 823050003 /nfs/dbraw/zinc/05/00/03/823050003.db2.gz ZISRGHASDMTFOM-QFIPXVFZSA-N 1 0 399.579 4.203 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)N[C@@H](c2nc(C)cs2)C2CC2)CC1 ZINC000175830854 823050046 /nfs/dbraw/zinc/05/00/46/823050046.db2.gz KPYSRLPAFWQNHB-GOSISDBHSA-N 1 0 378.586 4.056 20 0 GIADRO Cc1cc([C@H]([NH2+][C@@H]2CCC[C@H](N3CCCC3=O)C2)c2cccnc2)ccc1F ZINC000570528678 823050121 /nfs/dbraw/zinc/05/01/21/823050121.db2.gz IHGFMKNDLWHXBA-QTEQDKRBSA-N 1 0 381.495 4.142 20 0 GIADRO CSCc1cccc(CNC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000187364100 823050259 /nfs/dbraw/zinc/05/02/59/823050259.db2.gz HFQQVIYUWZLMKI-LPHOPBHVSA-N 1 0 375.582 4.002 20 0 GIADRO CCOc1ccc([C@@H](C)NC(=O)CCC[NH2+][C@H](C)C2CCSCC2)cc1 ZINC000187366536 823050530 /nfs/dbraw/zinc/05/05/30/823050530.db2.gz AVWBMAASPPIWBW-IAGOWNOFSA-N 1 0 378.582 4.164 20 0 GIADRO CCCNC(=O)c1ccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000055834863 823051143 /nfs/dbraw/zinc/05/11/43/823051143.db2.gz VMFALWCCFQXWKN-UHFFFAOYSA-N 1 0 379.504 4.065 20 0 GIADRO COc1cc(-c2noc([C@@H](C)Cc3ccccc3)n2)ccc1OCC[NH+](C)C ZINC000570548288 823052374 /nfs/dbraw/zinc/05/23/74/823052374.db2.gz AKNRKBMHYXVYSZ-INIZCTEOSA-N 1 0 381.476 4.032 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC(=O)NCCC1=CC[NH2+]CC1 ZINC000570550117 823052786 /nfs/dbraw/zinc/05/27/86/823052786.db2.gz YNSADKHGECDTPH-INIZCTEOSA-N 1 0 384.549 4.097 20 0 GIADRO Cn1c2cc(Cl)ccc2nc1CN(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000570551594 823053136 /nfs/dbraw/zinc/05/31/36/823053136.db2.gz JIIYYLFALAGTRY-UHFFFAOYSA-N 1 0 382.939 4.323 20 0 GIADRO CCc1ccc(Cl)c(CC)c1NC(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000570554844 823053568 /nfs/dbraw/zinc/05/35/68/823053568.db2.gz CDPFUDPHPIVKFK-UHFFFAOYSA-N 1 0 383.989 4.414 20 0 GIADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Nc1cccc(OCc2cscn2)c1 ZINC000175846500 823053728 /nfs/dbraw/zinc/05/37/28/823053728.db2.gz UFKXBKOUMRZNBT-GOSISDBHSA-N 1 0 388.537 4.060 20 0 GIADRO C[C@@H]([NH2+]C[C@H](c1ccccc1)C(C)(C)CO)c1ncc(Br)cc1F ZINC000187385832 823053789 /nfs/dbraw/zinc/05/37/89/823053789.db2.gz NCVJHLYPJFNHMD-CZUORRHYSA-N 1 0 395.316 4.436 20 0 GIADRO COc1cc(C[N@H+](C[C@H](O)c2ccc(F)cc2)C2CC2)ccc1OC(F)F ZINC000120729317 823053790 /nfs/dbraw/zinc/05/37/90/823053790.db2.gz JUFPWVLKXLQTEQ-KRWDZBQOSA-N 1 0 381.394 4.134 20 0 GIADRO O[C@H](C[NH+]1CCC(OCc2ccc(F)cc2)CC1)c1ccc(F)cc1Cl ZINC000187393888 823055276 /nfs/dbraw/zinc/05/52/76/823055276.db2.gz IRPZBSNCNXETQM-HXUWFJFHSA-N 1 0 381.850 4.333 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)NCc2nc3cc(C)ccc3n2C)cc1)C(C)C ZINC000187397692 823055554 /nfs/dbraw/zinc/05/55/54/823055554.db2.gz UPLKLFRTRDXPLF-UHFFFAOYSA-N 1 0 378.520 4.042 20 0 GIADRO Cc1cccc(CN(C)C(=O)NC[C@@H](CC(C)C)[NH2+][C@H](C)c2ccccc2)n1 ZINC000458563492 823056475 /nfs/dbraw/zinc/05/64/75/823056475.db2.gz SIWPCILFNVVDGR-DENIHFKCSA-N 1 0 382.552 4.297 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)[C@H](C)C1 ZINC000120749195 823056788 /nfs/dbraw/zinc/05/67/88/823056788.db2.gz VHIRUMVSBDTWHT-CRAIPNDOSA-N 1 0 378.948 4.134 20 0 GIADRO Cc1ccc2[nH]c(C(=O)Nc3cccc(C[NH+]4CCC(CO)CC4)c3)cc2c1C ZINC000120753812 823057536 /nfs/dbraw/zinc/05/75/36/823057536.db2.gz YGUJNRZBPNHHGU-UHFFFAOYSA-N 1 0 391.515 4.241 20 0 GIADRO Cc1cc2c(cc1C)[C@@H]([NH2+][C@H](C)Cn1ncc3ccccc3c1=O)CCS2 ZINC000187409690 823057945 /nfs/dbraw/zinc/05/79/45/823057945.db2.gz XPQWPOALIDAUIS-UZLBHIALSA-N 1 0 379.529 4.229 20 0 GIADRO Cc1cccc(C2(C[NH2+]C3CCC(CS(C)(=O)=O)CC3)CCCCC2)c1 ZINC000570619643 823063090 /nfs/dbraw/zinc/06/30/90/823063090.db2.gz WQOWJLMHZUWVMY-UHFFFAOYSA-N 1 0 377.594 4.390 20 0 GIADRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CC(C)(CC(F)(F)F)C1 ZINC000458591680 823060508 /nfs/dbraw/zinc/06/05/08/823060508.db2.gz XJYPHZVGLIYSMV-VQFNDLOPSA-N 1 0 397.485 4.127 20 0 GIADRO C[C@H](C[N@H+](C)Cc1ccccc1)N[C@@H](C)c1ncc(Br)cc1F ZINC000187422021 823060794 /nfs/dbraw/zinc/06/07/94/823060794.db2.gz MRARHMANSNSZCK-KGLIPLIRSA-N 1 0 380.305 4.154 20 0 GIADRO Cc1cnc([C@@H](NC(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)C2CC2)s1 ZINC000175874197 823061008 /nfs/dbraw/zinc/06/10/08/823061008.db2.gz PAYBRKIUCYPEQS-JXFKEZNVSA-N 1 0 398.576 4.209 20 0 GIADRO C[C@@H]1C[C@@H](CCNC(=O)N2CC(C)(CC(F)(F)F)C2)C[N@@H+]1Cc1ccccc1 ZINC000458606960 823062859 /nfs/dbraw/zinc/06/28/59/823062859.db2.gz WZBCXAXDFIXKLM-SJLPKXTDSA-N 1 0 397.485 4.271 20 0 GIADRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)cc1[N+](=O)[O-] ZINC000187443648 823064895 /nfs/dbraw/zinc/06/48/95/823064895.db2.gz ZEHJBLOCFSKFEI-APPDUMDISA-N 1 0 397.244 4.189 20 0 GIADRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)c2ccc(F)c(Br)c2)cc1[N+](=O)[O-] ZINC000187443618 823064997 /nfs/dbraw/zinc/06/49/97/823064997.db2.gz ZEHJBLOCFSKFEI-GTNSWQLSSA-N 1 0 397.244 4.189 20 0 GIADRO C[C@H](NC(=O)N[C@H]1CCCC[C@H]1CC(F)(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000458622353 823065079 /nfs/dbraw/zinc/06/50/79/823065079.db2.gz BGJNVCPGKKCPOT-OVWQWFNUSA-N 1 0 389.506 4.450 20 0 GIADRO C[C@H](N[C@H](C[NH+]1CCCC1)c1ccccc1)c1cccc(N2CCOC2=O)c1 ZINC000120795765 823065734 /nfs/dbraw/zinc/06/57/34/823065734.db2.gz QKZOGXJBLKYVNS-PGRDOPGGSA-N 1 0 379.504 4.131 20 0 GIADRO C[C@H](c1ccccn1)N(C)C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000187452402 823066460 /nfs/dbraw/zinc/06/64/60/823066460.db2.gz VTQPVUAKYAAIEI-KDOFPFPSSA-N 1 0 394.441 4.106 20 0 GIADRO C[C@H](NC(=O)N1CCc2cccc(Cl)c2C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000458629249 823066579 /nfs/dbraw/zinc/06/65/79/823066579.db2.gz IWSTVLXYXANNPJ-RDJZCZTQSA-N 1 0 375.944 4.061 20 0 GIADRO COc1cccc(C2CC[NH+]([C@@H]3CCN([C@H](C)c4ccc(F)cc4)C3=O)CC2)c1 ZINC000570651068 823067185 /nfs/dbraw/zinc/06/71/85/823067185.db2.gz PXPSTUMJORZVSI-UZUQRXQVSA-N 1 0 396.506 4.376 20 0 GIADRO COc1cc([C@H](C)[NH2+]CC(C)(C)c2cccc(C)c2)ccc1S(C)(=O)=O ZINC000120803954 823067412 /nfs/dbraw/zinc/06/74/12/823067412.db2.gz GIMONQTXTUJPMQ-INIZCTEOSA-N 1 0 375.534 4.036 20 0 GIADRO C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000055936283 823068260 /nfs/dbraw/zinc/06/82/60/823068260.db2.gz WVDVEMFRTFVYQB-AWEZNQCLSA-N 1 0 386.367 4.374 20 0 GIADRO O=S1(=O)CCC(C[NH2+]Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)CC1 ZINC000120811553 823068895 /nfs/dbraw/zinc/06/88/95/823068895.db2.gz OQOIRFWVGXIZFA-UHFFFAOYSA-N 1 0 388.316 4.168 20 0 GIADRO Cc1cnc([C@H]([NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)C2CC2)s1 ZINC000120813865 823069183 /nfs/dbraw/zinc/06/91/83/823069183.db2.gz QOLRTWATNADGAJ-GOSISDBHSA-N 1 0 389.952 4.450 20 0 GIADRO CC(C)[C@@H]([NH2+][C@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(F)cc1F ZINC000120812622 823069205 /nfs/dbraw/zinc/06/92/05/823069205.db2.gz LSUHTWVAQJCPTH-JLTOFOAXSA-N 1 0 396.503 4.263 20 0 GIADRO CCOc1ccccc1[C@@H](CC)NC(=O)C[NH2+][C@@H](c1ncccc1C)C(C)C ZINC000120814192 823069463 /nfs/dbraw/zinc/06/94/63/823069463.db2.gz NQZYQYKIVGUSAG-DENIHFKCSA-N 1 0 383.536 4.343 20 0 GIADRO [NH3+][C@@H](CCC(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1)c1ccccc1 ZINC000570675024 823070750 /nfs/dbraw/zinc/07/07/50/823070750.db2.gz FRTMIHWZYGLFKM-GJZGRUSLSA-N 1 0 397.466 4.348 20 0 GIADRO CCO[C@H]1C[C@]([NH3+])(C(=O)Nc2ccc(N[C@@H](C)c3ccccc3)cc2)C1(C)C ZINC000187475935 823070785 /nfs/dbraw/zinc/07/07/85/823070785.db2.gz KZGWWRFBIMEWRN-GRWTVWFQSA-N 1 0 381.520 4.331 20 0 GIADRO CC(C)[C@@H]([NH2+][C@H](C)c1ccc(NS(C)(=O)=O)cc1)c1ccc(F)cc1F ZINC000120826250 823072247 /nfs/dbraw/zinc/07/22/47/823072247.db2.gz OOWBPFWDMCBYSV-BFUOFWGJSA-N 1 0 382.476 4.384 20 0 GIADRO FC(F)(F)c1cccc(-c2noc(C[N@@H+]3CCC[C@@H]3[C@H]3CCCOC3)n2)c1 ZINC000570679257 823071185 /nfs/dbraw/zinc/07/11/85/823071185.db2.gz QTDVRKLHXPYTPH-GOEBONIOSA-N 1 0 381.398 4.146 20 0 GIADRO COc1cccc([C@@H](CNC(=O)c2c[nH]cc2-c2ccc(C)s2)[NH+](C)C)c1 ZINC000187504497 823076944 /nfs/dbraw/zinc/07/69/44/823076944.db2.gz RPGLTXDDZVGGRR-LJQANCHMSA-N 1 0 383.517 4.093 20 0 GIADRO C[NH+](C)CCc1ccc(CNC(=O)N2CC3(CCC3)[C@H]2c2ccccc2)cc1 ZINC000458688641 823074432 /nfs/dbraw/zinc/07/44/32/823074432.db2.gz MHAMQMZSMYUIST-JOCHJYFZSA-N 1 0 377.532 4.228 20 0 GIADRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)C1(C)C ZINC000187497546 823075524 /nfs/dbraw/zinc/07/55/24/823075524.db2.gz HJBQPDOOEONPDS-YLJYHZDGSA-N 1 0 380.916 4.132 20 0 GIADRO Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N(CCC[NH3+])CC1CCCC1 ZINC000570723259 823076119 /nfs/dbraw/zinc/07/61/19/823076119.db2.gz YVLZMDQZZSOJKZ-UHFFFAOYSA-N 1 0 379.570 4.022 20 0 GIADRO Cc1cc(Br)cc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000187508540 823077479 /nfs/dbraw/zinc/07/74/79/823077479.db2.gz QDIDRMPTIRQWNZ-RDTXWAMCSA-N 1 0 392.341 4.238 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)NCCCCCCOc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000187510407 823077980 /nfs/dbraw/zinc/07/79/80/823077980.db2.gz LFRNEKBAALTCJV-IEBWSBKVSA-N 1 0 395.975 4.403 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)Cc2csc(-c3ccoc3)n2)CC1 ZINC000120859804 823078439 /nfs/dbraw/zinc/07/84/39/823078439.db2.gz LZTBSEUPDYARSN-INIZCTEOSA-N 1 0 395.528 4.287 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc(C(=O)c2cc[nH]c2)cc1 ZINC000175943260 823078440 /nfs/dbraw/zinc/07/84/40/823078440.db2.gz YWVMKNDOAXIPOX-UHFFFAOYSA-N 1 0 389.499 4.018 20 0 GIADRO C[C@H]1CCCC[C@@]1(C)NC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000458726880 823078878 /nfs/dbraw/zinc/07/88/78/823078878.db2.gz DBZDOXZAZYOTBY-VDINOMKWSA-N 1 0 375.479 4.060 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1c(F)cccc1Br ZINC000175946512 823079226 /nfs/dbraw/zinc/07/92/26/823079226.db2.gz AQOUBTRFVSBNNS-UHFFFAOYSA-N 1 0 391.284 4.114 20 0 GIADRO CC(C)c1cccc(C(C)C)c1NC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000175951070 823080671 /nfs/dbraw/zinc/08/06/71/823080671.db2.gz IJPGFTKRINNWER-UHFFFAOYSA-N 1 0 387.568 4.251 20 0 GIADRO CSc1ccc([C@@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccsc2)cc1 ZINC000458746326 823080822 /nfs/dbraw/zinc/08/08/22/823080822.db2.gz XQZMDKYWCIZWKD-OAHLLOKOSA-N 1 0 377.579 4.304 20 0 GIADRO CC[C@@H](NC(=O)NCCC1CC[NH+](CC)CC1)c1nc(C(F)(F)F)cs1 ZINC000175954506 823081359 /nfs/dbraw/zinc/08/13/59/823081359.db2.gz RUOYZNVWKGYULD-CYBMUJFWSA-N 1 0 392.491 4.034 20 0 GIADRO CCOc1ccc(CNC(=O)N(CC[NH+](C)C)Cc2ccsc2)cc1Cl ZINC000458765439 823082678 /nfs/dbraw/zinc/08/26/78/823082678.db2.gz OVJWQROHVITBTH-UHFFFAOYSA-N 1 0 395.956 4.074 20 0 GIADRO Cc1cc(C)c(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1Br ZINC000187535523 823084011 /nfs/dbraw/zinc/08/40/11/823084011.db2.gz TWCKMRNLRYAXGD-OAHLLOKOSA-N 1 0 380.330 4.158 20 0 GIADRO COc1ccc2oc([C@H](C)NC(=O)Nc3ccc4c(c3)C[NH2+]CCO4)c(C)c2c1 ZINC000570783634 823086887 /nfs/dbraw/zinc/08/68/87/823086887.db2.gz OFVNPRWKNSGSFR-AWEZNQCLSA-N 1 0 395.459 4.115 20 0 GIADRO c1cncc(-c2noc([C@@]34CCC[C@@H]3C[N@@H+](Cc3ccc5ncccc5c3)C4)n2)c1 ZINC000570773241 823084919 /nfs/dbraw/zinc/08/49/19/823084919.db2.gz NDAAAJXIKZFBCH-HYBUGGRVSA-N 1 0 397.482 4.234 20 0 GIADRO O=C(c1ccc(C[NH2+][C@H]2CC[C@@H](c3cccc(Cl)c3)C2)cc1)N1CCOCC1 ZINC000570781899 823086583 /nfs/dbraw/zinc/08/65/83/823086583.db2.gz UCMORPOCSSCNCW-IRLDBZIGSA-N 1 0 398.934 4.238 20 0 GIADRO C[C@H]([NH2+]C[C@](C)(O)c1cccc(Cl)c1)c1ncc(Br)cc1F ZINC000187554030 823087403 /nfs/dbraw/zinc/08/74/03/823087403.db2.gz NUNLEFKSEYRFOG-QFYYESIMSA-N 1 0 387.680 4.195 20 0 GIADRO Cc1cc(C[NH+]2CCC(c3nnc4ccccn43)CC2)c(OC(F)F)cc1C ZINC000120928699 823088215 /nfs/dbraw/zinc/08/82/15/823088215.db2.gz VRPCUHLVIJOQIK-UHFFFAOYSA-N 1 0 386.446 4.327 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)NCc3ccnc(OC4CCCC4)c3)ccc21 ZINC000570794112 823088435 /nfs/dbraw/zinc/08/84/35/823088435.db2.gz JWVDVYJCRHMHLF-NRFANRHFSA-N 1 0 394.519 4.274 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCC2)CC[N@@H+]1C ZINC000175988797 823089753 /nfs/dbraw/zinc/08/97/53/823089753.db2.gz NESCVXVNWYVMKK-YJBOKZPZSA-N 1 0 397.485 4.251 20 0 GIADRO CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H](C)c2cncc(Br)c2)c1 ZINC000570816223 823091008 /nfs/dbraw/zinc/09/10/08/823091008.db2.gz JRGYYIJYVCBFGF-KBPBESRZSA-N 1 0 390.325 4.223 20 0 GIADRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C2CCN(Cc3ccccc3)CC2)c2ccccc21 ZINC000570818505 823091410 /nfs/dbraw/zinc/09/14/10/823091410.db2.gz CEBGDPWAQSEBEX-DNQXCXABSA-N 1 0 392.543 4.422 20 0 GIADRO Cc1cccc(C)c1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000056159673 823092167 /nfs/dbraw/zinc/09/21/67/823092167.db2.gz VBMYYNMULMMNGQ-IAGOWNOFSA-N 1 0 394.519 4.265 20 0 GIADRO CCCOc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(Cl)cn2)cc1OC ZINC000056161906 823092721 /nfs/dbraw/zinc/09/27/21/823092721.db2.gz QPUMICVGTWKPLC-UONOGXRCSA-N 1 0 391.899 4.210 20 0 GIADRO CC[C@]1(CO)CCC[N@@H+]([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000187584188 823092891 /nfs/dbraw/zinc/09/28/91/823092891.db2.gz ACAGHURIASXPOU-REWPJTCUSA-N 1 0 377.488 4.311 20 0 GIADRO CCN(C(=O)NCCC1(COC)CCC1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000458830569 823093722 /nfs/dbraw/zinc/09/37/22/823093722.db2.gz NZSVGWARUCPIMK-PZJWPPBQSA-N 1 0 387.568 4.060 20 0 GIADRO CCCC[N@H+](C)CC1CCN([C@H](C)c2nc(Cc3ccc(F)cc3)no2)CC1 ZINC000120984786 823097746 /nfs/dbraw/zinc/09/77/46/823097746.db2.gz GMZOCELXPYDGKQ-QGZVFWFLSA-N 1 0 388.531 4.304 20 0 GIADRO CN(C[C@H]1CCCOC1)C(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000570839803 823093947 /nfs/dbraw/zinc/09/39/47/823093947.db2.gz OSIJSTNTDPCIHK-GOSISDBHSA-N 1 0 391.581 4.155 20 0 GIADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C2(c3ccccc3C)CCC2)c1 ZINC000570844305 823094472 /nfs/dbraw/zinc/09/44/72/823094472.db2.gz OGJUUCIMWUZUQO-UHFFFAOYSA-N 1 0 393.531 4.336 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1c[nH]cc1-c1ccc(F)cc1 ZINC000570847619 823095007 /nfs/dbraw/zinc/09/50/07/823095007.db2.gz TUIAWCLMZFNIPR-GAJHUEQPSA-N 1 0 391.490 4.461 20 0 GIADRO C[C@H]1CCN(C(=O)NCc2cccc3cccnc32)CC[N@@H+]1Cc1ccccc1 ZINC000176010975 823095102 /nfs/dbraw/zinc/09/51/02/823095102.db2.gz KHPMWSIAWPDOEI-IBGZPJMESA-N 1 0 388.515 4.041 20 0 GIADRO CC(=O)c1ccc(NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1C ZINC000570853079 823095674 /nfs/dbraw/zinc/09/56/74/823095674.db2.gz DXYKWAQHFQRAJH-LEWJYISDSA-N 1 0 391.515 4.183 20 0 GIADRO COc1ccc(C[NH2+]C[C@H](Cc2ccccc2)C(F)(F)F)c(OC)c1OC ZINC000570863036 823098037 /nfs/dbraw/zinc/09/80/37/823098037.db2.gz RDDVQWGREZAOMQ-INIZCTEOSA-N 1 0 383.410 4.223 20 0 GIADRO CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)NCCCCC[NH+]1CCCC1 ZINC000458842574 823096480 /nfs/dbraw/zinc/09/64/80/823096480.db2.gz GVXTVCLBXSSRPY-OAQYLSRUSA-N 1 0 397.567 4.169 20 0 GIADRO CCN1CCC([NH+]2CCC(C(=O)N3CCC[C@H]3c3cc(C)ccc3C)CC2)CC1 ZINC000570863699 823098059 /nfs/dbraw/zinc/09/80/59/823098059.db2.gz YNZINQGVDAASJS-DEOSSOPVSA-N 1 0 397.607 4.163 20 0 GIADRO CC[NH+](CC)CC1CCN(C(=O)NCC[C@H](c2ccccc2)C(F)(F)F)CC1 ZINC000458854573 823098111 /nfs/dbraw/zinc/09/81/11/823098111.db2.gz XYBOUFZZVNXZLL-LJQANCHMSA-N 1 0 399.501 4.486 20 0 GIADRO CC[NH+](CC)CC1CCN(C(=O)NCC[C@@H](c2ccccc2)C(F)(F)F)CC1 ZINC000458854572 823098275 /nfs/dbraw/zinc/09/82/75/823098275.db2.gz XYBOUFZZVNXZLL-IBGZPJMESA-N 1 0 399.501 4.486 20 0 GIADRO CSc1ccc([C@@H](CNC(=O)NC(C)(C)c2nc(C)cs2)[NH+](C)C)cc1 ZINC000458893294 823102718 /nfs/dbraw/zinc/10/27/18/823102718.db2.gz MHFNHUQMIKKGLR-MRXNPFEDSA-N 1 0 392.594 4.011 20 0 GIADRO Cc1cccnc1[C@H]([NH2+]CC(=O)NCc1ccc(F)cc1C(F)(F)F)C(C)C ZINC000120992000 823098883 /nfs/dbraw/zinc/09/88/83/823098883.db2.gz LDUUTLSYNODQJE-GOSISDBHSA-N 1 0 397.416 4.151 20 0 GIADRO Cc1cc(C)n(CCC[NH2+]Cc2csc(COc3ccc(Cl)cc3)n2)n1 ZINC000121014583 823102951 /nfs/dbraw/zinc/10/29/51/823102951.db2.gz WQGJGKPJPUAGDY-UHFFFAOYSA-N 1 0 390.940 4.369 20 0 GIADRO COc1ccc2ccccc2c1C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(OC)c1 ZINC000121002441 823100822 /nfs/dbraw/zinc/10/08/22/823100822.db2.gz ASJODVQKMPRXDJ-HNNXBMFYSA-N 1 0 399.512 4.111 20 0 GIADRO Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@H](c2ccco2)N2CCCCC2)c1C ZINC000121003453 823101109 /nfs/dbraw/zinc/10/11/09/823101109.db2.gz GFCQCACZXMNTBD-RXVVDRJESA-N 1 0 383.536 4.430 20 0 GIADRO C[C@@H](Cc1ccc(Cl)cc1)[N@H+](C)CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000121008317 823101924 /nfs/dbraw/zinc/10/19/24/823101924.db2.gz HCLFSMNDMOZBIA-ZFWWWQNUSA-N 1 0 376.850 4.004 20 0 GIADRO CSc1ccc([C@H](CNC(=O)N(C)[C@H](C)c2cccc(O)c2)[NH+](C)C)cc1 ZINC000458886249 823102095 /nfs/dbraw/zinc/10/20/95/823102095.db2.gz HLRYDEIBPIZTDO-QRWLVFNGSA-N 1 0 387.549 4.119 20 0 GIADRO CCC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000056207111 823103153 /nfs/dbraw/zinc/10/31/53/823103153.db2.gz NKTBSQKAOQGYEJ-YESZJQIVSA-N 1 0 399.510 4.422 20 0 GIADRO CCCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000056207090 823103169 /nfs/dbraw/zinc/10/31/69/823103169.db2.gz HSMLSCFBEQDXNM-JKSUJKDBSA-N 1 0 385.483 4.033 20 0 GIADRO O=C(N[C@@H]1CCCc2c(F)cc(F)cc21)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000458899830 823103472 /nfs/dbraw/zinc/10/34/72/823103472.db2.gz HQXKIKGNARFZIY-OXJNMPFZSA-N 1 0 377.479 4.002 20 0 GIADRO O=C(N[C@@H]1CCCc2c(F)cc(F)cc21)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000458899831 823103599 /nfs/dbraw/zinc/10/35/99/823103599.db2.gz HQXKIKGNARFZIY-OXQOHEQNSA-N 1 0 377.479 4.002 20 0 GIADRO COc1cccc(COC[C@@H](O)C[N@@H+]2CCCC[C@@H]2c2cc3ccccc3[nH]2)c1 ZINC000121017329 823103646 /nfs/dbraw/zinc/10/36/46/823103646.db2.gz CAQGXQVYBYODAA-GBXCKJPGSA-N 1 0 394.515 4.281 20 0 GIADRO COc1ccccc1COC[C@H](O)C[N@@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000121020820 823104087 /nfs/dbraw/zinc/10/40/87/823104087.db2.gz HUTONGOSWYLJRP-NFBKMPQASA-N 1 0 394.515 4.281 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000176040865 823104176 /nfs/dbraw/zinc/10/41/76/823104176.db2.gz HXPRAZRJXDBRQQ-KRWDZBQOSA-N 1 0 389.499 4.026 20 0 GIADRO CC(C)Sc1ccc(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000176040862 823104185 /nfs/dbraw/zinc/10/41/85/823104185.db2.gz GBEBAIQIEGLJOO-UHFFFAOYSA-N 1 0 398.572 4.074 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NC[C@H]2CSc3ccccc32)C1 ZINC000458908224 823105139 /nfs/dbraw/zinc/10/51/39/823105139.db2.gz GNAKSZYVOXZCAY-QYZOEREBSA-N 1 0 387.593 4.172 20 0 GIADRO C[N@@H+]1CC[C@@H](CSc2nnc(Cc3cccs3)n2CCc2ccccc2)C1 ZINC000187649493 823105151 /nfs/dbraw/zinc/10/51/51/823105151.db2.gz JNHBHRDOGHHHAD-GOSISDBHSA-N 1 0 398.601 4.217 20 0 GIADRO CC(C)n1ncc2cc(CN3CCC[N@H+](Cc4ccccc4)C[C@H]3C)cnc21 ZINC000121028513 823105704 /nfs/dbraw/zinc/10/57/04/823105704.db2.gz CJHRLKMZZRPYLW-LJQANCHMSA-N 1 0 377.536 4.109 20 0 GIADRO CC(C)[C@@H](C(=O)NC1CC[NH+](Cc2ccncc2)CC1)c1cccc(Cl)c1 ZINC000176049150 823106511 /nfs/dbraw/zinc/10/65/11/823106511.db2.gz GKSPIAMNHDSTHM-OAQYLSRUSA-N 1 0 385.939 4.255 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1ccc(Cl)cc1F ZINC000187656472 823106621 /nfs/dbraw/zinc/10/66/21/823106621.db2.gz PLCXUWXKGYHNEY-KRWDZBQOSA-N 1 0 389.902 4.143 20 0 GIADRO CCOc1ccc(NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c(C(F)(F)F)c1 ZINC000121042871 823107663 /nfs/dbraw/zinc/10/76/63/823107663.db2.gz YNQWUPJLTWGTAP-GFCCVEGCSA-N 1 0 375.435 4.202 20 0 GIADRO COc1cccc([C@@H](C)CC(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)c1 ZINC000121045405 823108249 /nfs/dbraw/zinc/10/82/49/823108249.db2.gz YZMCSIMJBAITJB-SFHVURJKSA-N 1 0 396.531 4.032 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)NCC[C@@H]2CCc3ccccc32)CC1 ZINC000458936045 823108900 /nfs/dbraw/zinc/10/89/00/823108900.db2.gz YIFYSBPFXSOLAV-QFIPXVFZSA-N 1 0 391.559 4.413 20 0 GIADRO C[NH+](C)CCN(Cc1cccs1)C(=O)N[C@H]1CCCC[C@H]1CC(F)(F)F ZINC000458938393 823109182 /nfs/dbraw/zinc/10/91/82/823109182.db2.gz CABKXLIDHIAYAP-HOCLYGCPSA-N 1 0 391.503 4.333 20 0 GIADRO COc1ccc2c(c1)c(C(=O)N(C)C[C@H]1CCC[N@H+](C)C1)c(C)n2C1CCCC1 ZINC000121050940 823109415 /nfs/dbraw/zinc/10/94/15/823109415.db2.gz YTWRIPNQSSADMD-SFHVURJKSA-N 1 0 397.563 4.487 20 0 GIADRO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)C[N@@H+](C)[C@@H](C)C1CC1 ZINC000121054393 823110008 /nfs/dbraw/zinc/11/00/08/823110008.db2.gz RZNMDUWSWUDHLA-ROUUACIJSA-N 1 0 393.531 4.189 20 0 GIADRO CCCN(C(=O)NCc1ncc(C)s1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000176063573 823110256 /nfs/dbraw/zinc/11/02/56/823110256.db2.gz WZSNFVCCEXWLAD-IBGZPJMESA-N 1 0 386.565 4.038 20 0 GIADRO CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000570973893 823114197 /nfs/dbraw/zinc/11/41/97/823114197.db2.gz UQYLFFBTNYTAJL-QFBILLFUSA-N 1 0 385.943 4.072 20 0 GIADRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)C1(Cc2ccccc2F)CC1 ZINC000187678172 823111576 /nfs/dbraw/zinc/11/15/76/823111576.db2.gz AESZXPHQGYYCPX-UHFFFAOYSA-N 1 0 386.536 4.238 20 0 GIADRO C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000121066701 823111971 /nfs/dbraw/zinc/11/19/71/823111971.db2.gz FKNSYASTWBSRJR-WIEQDCTASA-N 1 0 385.483 4.272 20 0 GIADRO O=C(NCC1(c2cccc(Cl)c2)CC1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000121069338 823112253 /nfs/dbraw/zinc/11/22/53/823112253.db2.gz RVNUROMTJNJOGH-LJQANCHMSA-N 1 0 375.944 4.032 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@H](C)C[C@H](O)c2ccc(F)cc2)cc1Cn1cccn1 ZINC000121073246 823113053 /nfs/dbraw/zinc/11/30/53/823113053.db2.gz VDBKDJRRTWPUPS-JLHGSKIFSA-N 1 0 397.494 4.242 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1F)CCCS2 ZINC000187692312 823114149 /nfs/dbraw/zinc/11/41/49/823114149.db2.gz VTTKVLMPKWIZFX-CQSZACIVSA-N 1 0 396.434 4.268 20 0 GIADRO COc1cc(C(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)sc1Br ZINC000124410706 823594458 /nfs/dbraw/zinc/59/44/58/823594458.db2.gz PGXULLNEJIGJMY-ZDUSSCGKSA-N 1 0 397.338 4.072 20 0 GIADRO CCN(C(=O)NCCCc1ncccc1C)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000459000628 823114923 /nfs/dbraw/zinc/11/49/23/823114923.db2.gz ZPPRUGKPKTUKHC-IFMALSPDSA-N 1 0 394.563 4.190 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](c2ccc(F)c(Cl)c2)C2CC2)[C@H](C)C1 ZINC000459002772 823115233 /nfs/dbraw/zinc/11/52/33/823115233.db2.gz IMQAYMIDDRCDLC-VMDGZTHMSA-N 1 0 381.923 4.302 20 0 GIADRO COc1ccc2c(c1)CCC[C@H]2[N@H+](C)CCCS(=O)(=O)c1ccc(F)cc1 ZINC000570980927 823115390 /nfs/dbraw/zinc/11/53/90/823115390.db2.gz UBZAXVXBZBJZKU-OAQYLSRUSA-N 1 0 391.508 4.008 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1OC(F)F)c1ccc(OC)cc1 ZINC000121084694 823115461 /nfs/dbraw/zinc/11/54/61/823115461.db2.gz RMBKBNUOPABPSZ-BBRMVZONSA-N 1 0 378.419 4.365 20 0 GIADRO CCOC(=O)N1CCC([C@H](C)[NH2+][C@H](C)c2ccc(SC)c(OC)c2)CC1 ZINC000187701085 823115587 /nfs/dbraw/zinc/11/55/87/823115587.db2.gz RGFLUWDOAMPZPO-LSDHHAIUSA-N 1 0 380.554 4.325 20 0 GIADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)N[C@H](c3ccc(F)c(Cl)c3)C3CC3)C2)C1 ZINC000459014509 823116791 /nfs/dbraw/zinc/11/67/91/823116791.db2.gz OTMHXSLQYAVXSK-AZUAARDMSA-N 1 0 379.907 4.058 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2nn(CCC(C)C)c3ccccc23)C[C@H]1C ZINC000459014174 823116813 /nfs/dbraw/zinc/11/68/13/823116813.db2.gz UYTZQFFFYOUFQD-RTBURBONSA-N 1 0 399.583 4.097 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000571009224 823119509 /nfs/dbraw/zinc/11/95/09/823119509.db2.gz ISUAVSHNWDQZIQ-FQEVSTJZSA-N 1 0 394.519 4.069 20 0 GIADRO CC(C)[C@@H](CO)[N@H+](Cc1nnc(-c2cccc(Cl)c2)o1)Cc1ccccc1 ZINC000121096729 823117918 /nfs/dbraw/zinc/11/79/18/823117918.db2.gz GQZBWNXEPSTVAP-LJQANCHMSA-N 1 0 385.895 4.409 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H]2CCOC3(CCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000459022868 823117985 /nfs/dbraw/zinc/11/79/85/823117985.db2.gz PCNUZGWJVCKFPZ-FCEUIQTBSA-N 1 0 399.579 4.030 20 0 GIADRO COCCOCc1ccc(C[NH2+]Cc2cccc(C)c2Br)cc1 ZINC000571001006 823118234 /nfs/dbraw/zinc/11/82/34/823118234.db2.gz KQCDBIKWKAGNOW-UHFFFAOYSA-N 1 0 378.310 4.210 20 0 GIADRO C[N@H+](CCO)Cc1cc(NCc2cccc(-c3cccnc3)c2)ccc1Cl ZINC000571001226 823118255 /nfs/dbraw/zinc/11/82/55/823118255.db2.gz MXRUTJXTOIGPFG-UHFFFAOYSA-N 1 0 381.907 4.438 20 0 GIADRO C[C@H](c1cccc(C#N)c1)[NH+]1CCC(OCCCNC(=O)OC(C)(C)C)CC1 ZINC000187712699 823118584 /nfs/dbraw/zinc/11/85/84/823118584.db2.gz FOUQNRBOIBWQTP-QGZVFWFLSA-N 1 0 387.524 4.015 20 0 GIADRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)s1 ZINC000571002937 823118641 /nfs/dbraw/zinc/11/86/41/823118641.db2.gz SWBHOECEBORORK-IIYDPXPESA-N 1 0 397.548 4.212 20 0 GIADRO Cc1nc(C(C)C)sc1[C@H](C)N(C)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000121110269 823120313 /nfs/dbraw/zinc/12/03/13/823120313.db2.gz KFDGJULZUMARIT-ZDUSSCGKSA-N 1 0 390.940 4.429 20 0 GIADRO CC(C)=CCN(Cc1ccc(Cl)cc1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000459056570 823121516 /nfs/dbraw/zinc/12/15/16/823121516.db2.gz KDTCDIBUXHPPJQ-IHWFROFDSA-N 1 0 375.944 4.443 20 0 GIADRO CCOc1ccccc1CCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000176103782 823121696 /nfs/dbraw/zinc/12/16/96/823121696.db2.gz BUTPSQUHGUDJMK-DENIHFKCSA-N 1 0 380.532 4.187 20 0 GIADRO C[C@@H](C[C@H](O)c1cccs1)[NH2+]C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000121136400 823124514 /nfs/dbraw/zinc/12/45/14/823124514.db2.gz BTBYKAFVYNNKBK-KSSFIOAISA-N 1 0 392.952 4.108 20 0 GIADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1oc2ccccc2c1COc1ccccc1 ZINC000121120688 823122152 /nfs/dbraw/zinc/12/21/52/823122152.db2.gz OLZSHSYNKGFFLF-UTKZUKDTSA-N 1 0 392.499 4.424 20 0 GIADRO CCN(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000459061047 823122194 /nfs/dbraw/zinc/12/21/94/823122194.db2.gz OYKJHJARPIQNQZ-MIGBEJBISA-N 1 0 397.485 4.293 20 0 GIADRO C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@H](c1ccccc1OC(F)F)C(F)(F)F ZINC000571043749 823124548 /nfs/dbraw/zinc/12/45/48/823124548.db2.gz CIDLTYRCBWWVQE-DGCLKSJQSA-N 1 0 382.373 4.032 20 0 GIADRO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[NH2+]CCCCCO ZINC000571030584 823122641 /nfs/dbraw/zinc/12/26/41/823122641.db2.gz GPYYBZMJHSANLF-UHFFFAOYSA-N 1 0 383.467 4.364 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+]C1CCN(C(=O)c3ccco3)CC1)CCCS2 ZINC000187741639 823123290 /nfs/dbraw/zinc/12/32/90/823123290.db2.gz RAXICUJTGKHOPJ-GOSISDBHSA-N 1 0 386.517 4.110 20 0 GIADRO C[C@H]1C[C@H](NC(=O)CCCOc2ccccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000176115824 823125385 /nfs/dbraw/zinc/12/53/85/823125385.db2.gz URPIPULXYGMLAY-AZUAARDMSA-N 1 0 384.495 4.154 20 0 GIADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(-c2nc3ccccc3s2)s1 ZINC000121139453 823125450 /nfs/dbraw/zinc/12/54/50/823125450.db2.gz RCHCEVRWHSPNPQ-HIFRSBDPSA-N 1 0 385.558 4.437 20 0 GIADRO C[C@@H](NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1ncc(-c2ccccc2)o1 ZINC000121163457 823130011 /nfs/dbraw/zinc/13/00/11/823130011.db2.gz XDEAKNMTTXBZKE-MJGOQNOKSA-N 1 0 382.508 4.063 20 0 GIADRO C[C@@H](CCCC(F)(F)F)[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000571068263 823127596 /nfs/dbraw/zinc/12/75/96/823127596.db2.gz AUFZLDDWDGBOPC-NSHDSACASA-N 1 0 391.235 4.241 20 0 GIADRO COc1cc(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)ccc1OC(F)F ZINC000056326323 823128538 /nfs/dbraw/zinc/12/85/38/823128538.db2.gz YXVZCBURXLRXLM-UHFFFAOYSA-N 1 0 390.430 4.187 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)N(CCc1ccccc1F)C1CCCC1 ZINC000459107910 823128724 /nfs/dbraw/zinc/12/87/24/823128724.db2.gz OXSTVNWRNPEKEZ-UHFFFAOYSA-N 1 0 387.543 4.339 20 0 GIADRO Cc1cc(SC2CCCCC2)ccc1NC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000571078860 823128779 /nfs/dbraw/zinc/12/87/79/823128779.db2.gz XPHSXMLGDHVGAC-MRXNPFEDSA-N 1 0 399.564 4.016 20 0 GIADRO C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)cc1 ZINC000056331946 823129396 /nfs/dbraw/zinc/12/93/96/823129396.db2.gz JYMKSAQWKRNGSI-VGOFRKELSA-N 1 0 391.515 4.172 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]CCCn2ccc3ccccc32)c1 ZINC000121163678 823130487 /nfs/dbraw/zinc/13/04/87/823130487.db2.gz NWNTWAOIEHYXEU-KRWDZBQOSA-N 1 0 395.503 4.056 20 0 GIADRO C[C@H]([NH2+]C1CC1)C(=O)Nc1cc(C(F)(F)F)ccc1NCc1ccccc1 ZINC000571087924 823130493 /nfs/dbraw/zinc/13/04/93/823130493.db2.gz KYUASDBYQHQNJT-ZDUSSCGKSA-N 1 0 377.410 4.397 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000176129139 823130744 /nfs/dbraw/zinc/13/07/44/823130744.db2.gz KDZHTHULUKGMGT-OBZYLPMUSA-N 1 0 384.470 4.238 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)Cc2csc(-c3ccoc3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000176129993 823130967 /nfs/dbraw/zinc/13/09/67/823130967.db2.gz HKBKTUSJCHTLLQ-APWZRJJASA-N 1 0 395.528 4.115 20 0 GIADRO CNC(=O)c1ccc(C[N@H+](C)Cc2ccc(Oc3cccnc3)c(C)c2)cc1 ZINC000121168387 823131358 /nfs/dbraw/zinc/13/13/58/823131358.db2.gz CKYCQLMYBHIYNA-UHFFFAOYSA-N 1 0 375.472 4.174 20 0 GIADRO COc1ccc(Cl)cc1CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000176131737 823131607 /nfs/dbraw/zinc/13/16/07/823131607.db2.gz CBVJHDDZNWHBHV-JXFKEZNVSA-N 1 0 386.923 4.060 20 0 GIADRO C[NH+](C)CCOc1ccccc1-c1noc(-c2ccc3c(c2)CCCCC3=O)n1 ZINC000571097036 823131852 /nfs/dbraw/zinc/13/18/52/823131852.db2.gz VJVJAZQSXULAJJ-UHFFFAOYSA-N 1 0 391.471 4.253 20 0 GIADRO C[C@H](Cn1cc(Br)cn1)[NH2+]Cc1nc(-c2ccccc2F)cs1 ZINC000571096996 823131861 /nfs/dbraw/zinc/13/18/61/823131861.db2.gz FMRABLQRQQASRP-LLVKDONJSA-N 1 0 395.301 4.087 20 0 GIADRO C[C@H](CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C(=O)c1cccc(F)c1 ZINC000176134195 823132304 /nfs/dbraw/zinc/13/23/04/823132304.db2.gz OVVNSMMVTLRJJC-FGSXEWAUSA-N 1 0 396.506 4.204 20 0 GIADRO O=C(N[C@@H]1CC[C@H](c2cccc(Cl)c2)C1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000459130768 823132451 /nfs/dbraw/zinc/13/24/51/823132451.db2.gz GHZMTZYXOGUVOM-XKGZKEIXSA-N 1 0 375.944 4.103 20 0 GIADRO Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)[C@H]2CCC[C@@H](C)C2)C1 ZINC000459132240 823132520 /nfs/dbraw/zinc/13/25/20/823132520.db2.gz BLXIKOVGAPEZRD-NEPXVJNWSA-N 1 0 392.613 4.130 20 0 GIADRO Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)[C@@H]2CCC[C@H](C)C2)C1 ZINC000459132241 823132595 /nfs/dbraw/zinc/13/25/95/823132595.db2.gz BLXIKOVGAPEZRD-PBWTXFEYSA-N 1 0 392.613 4.130 20 0 GIADRO C[NH+](C)C[C@@H]1CCN(C(=O)Nc2ccc(Br)c(Cl)c2Cl)C1 ZINC000187786436 823132938 /nfs/dbraw/zinc/13/29/38/823132938.db2.gz SGYIEFZEUDDQCQ-VIFPVBQESA-N 1 0 395.128 4.171 20 0 GIADRO Fc1ccc([C@@H]([NH2+]CCc2ccc(OC(F)(F)F)cc2)c2ncc[nH]2)cc1 ZINC000187786105 823132957 /nfs/dbraw/zinc/13/29/57/823132957.db2.gz FLUNNPMMRDFOBR-QGZVFWFLSA-N 1 0 379.357 4.369 20 0 GIADRO Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000176137711 823133274 /nfs/dbraw/zinc/13/32/74/823133274.db2.gz KGEFHRJDUGXGRG-UHFFFAOYSA-N 1 0 396.535 4.004 20 0 GIADRO CC[N@H+](CC(=O)Nc1cc(Cl)c(OC)cc1OC)[C@H](C)Cc1ccsc1 ZINC000187789718 823133548 /nfs/dbraw/zinc/13/35/48/823133548.db2.gz KDEHTFZKOCITMY-CYBMUJFWSA-N 1 0 396.940 4.310 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)C/C=C/c3ccc(F)cc3)CC2)cc1 ZINC000176139772 823133712 /nfs/dbraw/zinc/13/37/12/823133712.db2.gz BJTHXZDGGFMUQV-NSCUHMNNSA-N 1 0 396.506 4.266 20 0 GIADRO CCOc1ccccc1Oc1ccccc1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000176144612 823134941 /nfs/dbraw/zinc/13/49/41/823134941.db2.gz IAJVLSHGERMLAM-QGZVFWFLSA-N 1 0 380.488 4.092 20 0 GIADRO C[N@H+](CCCCNC(=O)N(Cc1ccc(F)cc1F)C1CCCC1)C1CC1 ZINC000459149684 823135241 /nfs/dbraw/zinc/13/52/41/823135241.db2.gz GXYMVLLGLZTJTG-UHFFFAOYSA-N 1 0 379.495 4.293 20 0 GIADRO CCc1ccc(C[N@@H+]2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)cn1 ZINC000571124061 823136154 /nfs/dbraw/zinc/13/61/54/823136154.db2.gz MLRDHVWEUBAUSP-HNNXBMFYSA-N 1 0 389.425 4.085 20 0 GIADRO CCOC(=O)COCC[NH2+][C@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000571128465 823136994 /nfs/dbraw/zinc/13/69/94/823136994.db2.gz DJNFGYACKCVMJT-GFCCVEGCSA-N 1 0 382.913 4.002 20 0 GIADRO C[C@H](C[C@@H](O)c1cccs1)[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000121198719 823137014 /nfs/dbraw/zinc/13/70/14/823137014.db2.gz AMMJGDUAHPSMNR-DNVCBOLYSA-N 1 0 378.969 4.468 20 0 GIADRO COc1cc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)c(-c2ccccc2)cc1OC ZINC000121205312 823138364 /nfs/dbraw/zinc/13/83/64/823138364.db2.gz VKTKHXZTQUOYJI-GOSISDBHSA-N 1 0 377.488 4.474 20 0 GIADRO CC(=O)c1cccc(NC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000121214708 823140024 /nfs/dbraw/zinc/14/00/24/823140024.db2.gz NGZNIARIGYYGCX-JTSKRJEESA-N 1 0 379.504 4.406 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc([C@H]2CCOC2)cc1)c1ccc(Cl)cc1 ZINC000571139801 823140059 /nfs/dbraw/zinc/14/00/59/823140059.db2.gz FEMGCGDGWQRISB-PXNSSMCTSA-N 1 0 387.911 4.268 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1ccc([C@H]2CCOC2)cc1)c1ccc(Cl)cc1 ZINC000571139800 823140116 /nfs/dbraw/zinc/14/01/16/823140116.db2.gz FEMGCGDGWQRISB-FXAWDEMLSA-N 1 0 387.911 4.268 20 0 GIADRO O=C(NCc1ccc2c[nH+]cn2c1)N(CCc1ccccc1F)C1CCCC1 ZINC000459216743 823146053 /nfs/dbraw/zinc/14/60/53/823146053.db2.gz WEDAMOFPGBJGMG-UHFFFAOYSA-N 1 0 380.467 4.170 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)N[C@H](C)c2nc3c(s2)CCC3)CC1 ZINC000459201870 823143179 /nfs/dbraw/zinc/14/31/79/823143179.db2.gz UIUQJLMWCMFGOI-MRXNPFEDSA-N 1 0 392.613 4.236 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)NCCc2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000121229837 823143231 /nfs/dbraw/zinc/14/32/31/823143231.db2.gz KPYOPFMIFRPQJQ-AVRDEDQJSA-N 1 0 383.511 4.063 20 0 GIADRO Cc1ncc(CN(C)C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)s1 ZINC000056401894 823144012 /nfs/dbraw/zinc/14/40/12/823144012.db2.gz GWBLJBANKPRVNI-INIZCTEOSA-N 1 0 386.565 4.168 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)N1CCc2c3ccccc3[nH]c2C1)c1ccc(Cl)cc1 ZINC000571184597 823145376 /nfs/dbraw/zinc/14/53/76/823145376.db2.gz AXOYNURLRAJBBV-OAQYLSRUSA-N 1 0 396.922 4.192 20 0 GIADRO Cc1ccc([C@@H](O)C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)cc1 ZINC000121241789 823146081 /nfs/dbraw/zinc/14/60/81/823146081.db2.gz FFJGWRGJVXSRAL-QHCPKHFHSA-N 1 0 384.483 4.066 20 0 GIADRO C[C@@H](C[C@@H](O)c1cccs1)[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000121244615 823146425 /nfs/dbraw/zinc/14/64/25/823146425.db2.gz GDKURQKFDJFJAH-HNAYVOBHSA-N 1 0 378.969 4.468 20 0 GIADRO C[C@H](CCCc1cccnc1)NC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000459219940 823146708 /nfs/dbraw/zinc/14/67/08/823146708.db2.gz RJFFPFFSMKWATJ-NFBKMPQASA-N 1 0 394.563 4.099 20 0 GIADRO C[N@@H+]1CCC[C@H](CCNC(=O)N(Cc2c(F)cccc2F)C2CCCC2)C1 ZINC000459245156 823151079 /nfs/dbraw/zinc/15/10/79/823151079.db2.gz BGVNVGQASJTQGF-MRXNPFEDSA-N 1 0 379.495 4.151 20 0 GIADRO CN(Cc1cccc2ccccc21)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000056421715 823147233 /nfs/dbraw/zinc/14/72/33/823147233.db2.gz DCILMUUOVCDNHH-UHFFFAOYSA-N 1 0 388.515 4.041 20 0 GIADRO C[C@H]([NH2+]C1CCN(Cc2ccsc2)CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000121248320 823147232 /nfs/dbraw/zinc/14/72/32/823147232.db2.gz YEGSEZBLTZOIJZ-INIZCTEOSA-N 1 0 398.576 4.347 20 0 GIADRO Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000187863717 823148922 /nfs/dbraw/zinc/14/89/22/823148922.db2.gz TVFOJCXPZMPURT-QFIPXVFZSA-N 1 0 389.478 4.355 20 0 GIADRO CN(CCCc1ccccc1)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000056441202 823149500 /nfs/dbraw/zinc/14/95/00/823149500.db2.gz NXBHJUHWVRPAHF-UHFFFAOYSA-N 1 0 383.511 4.064 20 0 GIADRO Cc1cccc(Br)c1C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000571217772 823150338 /nfs/dbraw/zinc/15/03/38/823150338.db2.gz BPRHNQFBXQQPPB-QGZVFWFLSA-N 1 0 393.369 4.486 20 0 GIADRO c1cc(CN2CCC([NH2+]C3CCN(CCc4ccccc4)CC3)CC2)cs1 ZINC000121266986 823151652 /nfs/dbraw/zinc/15/16/52/823151652.db2.gz BUKNCIVEYRPCPI-UHFFFAOYSA-N 1 0 383.605 4.009 20 0 GIADRO COc1ccc(C[N@H+](Cc2cnn(C)c2C(F)(F)F)[C@H](C)C2CC2)c(OC)c1 ZINC000571228258 823151839 /nfs/dbraw/zinc/15/18/39/823151839.db2.gz ZLGGTBSXKZTASB-CYBMUJFWSA-N 1 0 397.441 4.257 20 0 GIADRO COc1ccc(C[N@H+](Cc2cnn(C)c2C(F)(F)F)[C@@H](C)C2CC2)c(OC)c1 ZINC000571228259 823151922 /nfs/dbraw/zinc/15/19/22/823151922.db2.gz ZLGGTBSXKZTASB-ZDUSSCGKSA-N 1 0 397.441 4.257 20 0 GIADRO Cc1cnn(-c2ccc(C)cc2NC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000571236626 823153152 /nfs/dbraw/zinc/15/31/52/823153152.db2.gz HWBYLXKBBCWBEP-OALUTQOASA-N 1 0 395.551 4.264 20 0 GIADRO C[NH+](C)CCN(C(=O)c1ccc(C(=O)Nc2ccccc2)cc1)c1ccccc1 ZINC000121290819 823156399 /nfs/dbraw/zinc/15/63/99/823156399.db2.gz BDTMZCQGQOAJDO-UHFFFAOYSA-N 1 0 387.483 4.147 20 0 GIADRO C[N@@H+]1CCC[C@@H](CCNC(=O)N2CCC[C@@H]2c2ccc(Br)cc2)C1 ZINC000459269055 823153947 /nfs/dbraw/zinc/15/39/47/823153947.db2.gz SOJNFZUPKJJHFP-MAUKXSAKSA-N 1 0 394.357 4.028 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)NCc1nnc(C(C)(C)C)[nH]1)C1CCCCC1 ZINC000459266454 823154153 /nfs/dbraw/zinc/15/41/53/823154153.db2.gz RRYWLBDZTRCZEZ-UHFFFAOYSA-N 1 0 398.555 4.188 20 0 GIADRO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)N[C@H](c1cccnc1)C1CC1 ZINC000571254140 823156552 /nfs/dbraw/zinc/15/65/52/823156552.db2.gz YRGSMZIUPMKVOF-REWPJTCUSA-N 1 0 392.547 4.134 20 0 GIADRO Clc1ccc(C2(C[NH2+]Cc3c[nH]c4nccnc34)CCOCC2)c(Cl)c1 ZINC000571251424 823155573 /nfs/dbraw/zinc/15/55/73/823155573.db2.gz FOOJOHOSFCCJKP-UHFFFAOYSA-N 1 0 391.302 4.054 20 0 GIADRO CCC[C@@H](NC(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1)C1CCCC1 ZINC000459288330 823156656 /nfs/dbraw/zinc/15/66/56/823156656.db2.gz PZCXIMNBXUKAQB-JOCHJYFZSA-N 1 0 386.584 4.089 20 0 GIADRO CSc1ccccc1NC(=O)C[N@H+](C)CCCC(=O)Nc1c(C)cccc1C ZINC000176243921 823161609 /nfs/dbraw/zinc/16/16/09/823161609.db2.gz IWBQEOSNYOYVKL-UHFFFAOYSA-N 1 0 399.560 4.315 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)N([C@@H](C)c1ccco1)C1CC1)[NH+]1CCCC1 ZINC000121300758 823158641 /nfs/dbraw/zinc/15/86/41/823158641.db2.gz AOCBPKCJORDGPR-FXAWDEMLSA-N 1 0 397.519 4.360 20 0 GIADRO C[C@H](CCO)[NH2+][C@H]1CCCc2nc(-c3ccc(Br)cc3)sc21 ZINC000121314050 823161294 /nfs/dbraw/zinc/16/12/94/823161294.db2.gz CBTMOJQGLQPPEF-RISCZKNCSA-N 1 0 381.339 4.311 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)[C@H]1CCC(=O)c2cccn21)C1CCCCC1 ZINC000571273794 823159244 /nfs/dbraw/zinc/15/92/44/823159244.db2.gz RUJZCKRXRZOEQY-OAQYLSRUSA-N 1 0 379.504 4.409 20 0 GIADRO C[C@@H](C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(Cl)s1 ZINC000176234055 823159482 /nfs/dbraw/zinc/15/94/82/823159482.db2.gz CPYFLWCTRBGOHX-NVXWUHKLSA-N 1 0 376.953 4.186 20 0 GIADRO CCc1cccc(C)c1NC(=O)C[N@H+](CC(C)C)C[C@H](O)c1ccc(F)cc1 ZINC000121306379 823159798 /nfs/dbraw/zinc/15/97/98/823159798.db2.gz UWHQMNQMCJIINC-NRFANRHFSA-N 1 0 386.511 4.327 20 0 GIADRO CC(=O)Nc1cccc2c1CC[N@H+](Cc1ccc(OCC(F)(F)F)cc1)C2 ZINC000056508009 823159816 /nfs/dbraw/zinc/15/98/16/823159816.db2.gz YPQJWTCRZXXNGY-UHFFFAOYSA-N 1 0 378.394 4.144 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)N1CC2(CCC2)[C@@H]2COC[C@@H]21)C1CCCCC1 ZINC000459314183 823159878 /nfs/dbraw/zinc/15/98/78/823159878.db2.gz QGCMTNCEUDEBEE-IRLDBZIGSA-N 1 0 397.563 4.484 20 0 GIADRO Cc1cc(F)c(CN(C)C2CC[NH+](CCc3ccccn3)CC2)c(Cl)c1 ZINC000459318814 823160856 /nfs/dbraw/zinc/16/08/56/823160856.db2.gz CNCCTEXAAFRSHI-UHFFFAOYSA-N 1 0 375.919 4.321 20 0 GIADRO CC(=O)N(C)C1CC[NH+](C/C=C/c2ccc(OCc3ccccc3)cc2)CC1 ZINC000459327781 823162029 /nfs/dbraw/zinc/16/20/29/823162029.db2.gz PMPRSOXTRVMJDB-RMKNXTFCSA-N 1 0 378.516 4.222 20 0 GIADRO O=C(NC1CC[NH+](CC2CC2)CC1)N(CCc1cccc(F)c1)C1CCCC1 ZINC000176246175 823162145 /nfs/dbraw/zinc/16/21/45/823162145.db2.gz NCVNHKCUUIYDST-UHFFFAOYSA-N 1 0 387.543 4.197 20 0 GIADRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)Nc2cccc(COc3ccccc3)c2C)C1(C)C ZINC000187946367 823162234 /nfs/dbraw/zinc/16/22/34/823162234.db2.gz QHJSHFGEZYQONR-NFBKMPQASA-N 1 0 382.504 4.045 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)N(C)[C@@H](C)Cc2cccc(F)c2)CC1 ZINC000459330300 823162280 /nfs/dbraw/zinc/16/22/80/823162280.db2.gz RHLCBXMUSFISDQ-SFHVURJKSA-N 1 0 398.526 4.063 20 0 GIADRO C[C@H]1CC[C@](CO)([N@H+](C)CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)C1 ZINC000187954820 823163278 /nfs/dbraw/zinc/16/32/78/823163278.db2.gz UPKKRJAIGHGQFT-QFYYESIMSA-N 1 0 379.715 4.068 20 0 GIADRO O=C(NC1CC([NH+]2CCCCC2)C1)N1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000571312349 823163917 /nfs/dbraw/zinc/16/39/17/823163917.db2.gz SPAGRMIDPAOFKP-UHFFFAOYSA-N 1 0 398.526 4.213 20 0 GIADRO CC(=O)N1CCC([NH2+][C@@H](CC2CC2)c2cc(F)cc(Br)c2)CC1 ZINC000187961297 823164302 /nfs/dbraw/zinc/16/43/02/823164302.db2.gz PTFNAUJNCLGEFJ-SFHVURJKSA-N 1 0 383.305 4.030 20 0 GIADRO Cc1noc(C2CCC([NH2+][C@H]3CCN(Cc4ccccc4)C4(CC4)C3)CC2)n1 ZINC000571325617 823165463 /nfs/dbraw/zinc/16/54/63/823165463.db2.gz QXJNJFOWDIOAAO-CBNMVNINSA-N 1 0 380.536 4.191 20 0 GIADRO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1csc(-c2ccc(C(N)=O)cc2)n1 ZINC000121370466 823171795 /nfs/dbraw/zinc/17/17/95/823171795.db2.gz ORQGYJLDHYLVPE-KDOFPFPSSA-N 1 0 395.503 4.426 20 0 GIADRO Cc1cccc(N2CCC(NC(=O)CCc3cc(Cl)cc(Cl)c3)CC2)n1 ZINC000121356266 823169354 /nfs/dbraw/zinc/16/93/54/823169354.db2.gz HNPFMLUIPIVMJE-UHFFFAOYSA-N 1 0 392.330 4.415 20 0 GIADRO O=c1cc(C[NH+]2CCC(c3nc4cc(Cl)ccc4o3)CC2)nc(C2CC2)[nH]1 ZINC000459354702 823169440 /nfs/dbraw/zinc/16/94/40/823169440.db2.gz ONVZSRIQNXTDHK-UHFFFAOYSA-N 1 0 384.867 4.234 20 0 GIADRO CSc1nnc(CCC[NH2+][C@@H]2CCc3c2cc(F)cc3F)n1CC(C)C ZINC000121356631 823169720 /nfs/dbraw/zinc/16/97/20/823169720.db2.gz SLFFARVVBXUIRF-QGZVFWFLSA-N 1 0 380.508 4.144 20 0 GIADRO Cc1cc(C)n(-c2cccc(NC(=O)N(C)CCC[N@H+](C)Cc3ccco3)c2)n1 ZINC000571353537 823169804 /nfs/dbraw/zinc/16/98/04/823169804.db2.gz IBLSHRKUAQTSON-UHFFFAOYSA-N 1 0 395.507 4.068 20 0 GIADRO CCCO[C@H]1CCC[N@H+](Cc2cc(Br)c(O)c(OCC)c2)CC1 ZINC000459354784 823169899 /nfs/dbraw/zinc/16/98/99/823169899.db2.gz SRSZOAUAZPAGPH-HNNXBMFYSA-N 1 0 386.330 4.335 20 0 GIADRO CCc1nnc(-c2ccc(NC(=O)N[C@@H](C)[C@H](c3ccccc3)[NH+](C)C)cc2)o1 ZINC000571353757 823169919 /nfs/dbraw/zinc/16/99/19/823169919.db2.gz XGKNJYYJTNKLMP-MGPUTAFESA-N 1 0 393.491 4.112 20 0 GIADRO Clc1cnn(CC[N@@H+]2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c1 ZINC000459361149 823171949 /nfs/dbraw/zinc/17/19/49/823171949.db2.gz FUXUCYJCDUVCTF-AWEZNQCLSA-N 1 0 392.290 4.120 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N(CC1CCCCC1)C1CC1 ZINC000056561995 823170283 /nfs/dbraw/zinc/17/02/83/823170283.db2.gz AMPXFIMGZPZCHP-UHFFFAOYSA-N 1 0 384.568 4.323 20 0 GIADRO COCCOc1ccc(C(F)(F)F)cc1NC1CCN(c2cc[nH+]cc2)CC1 ZINC000459358376 823170652 /nfs/dbraw/zinc/17/06/52/823170652.db2.gz FLOJMKBOAWBYOY-UHFFFAOYSA-N 1 0 395.425 4.207 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+][C@H](C)c2ccccc2Cl)c1 ZINC000121372165 823172041 /nfs/dbraw/zinc/17/20/41/823172041.db2.gz ZWKHRKCCYARUIQ-ZIAGYGMSSA-N 1 0 376.884 4.425 20 0 GIADRO CO[C@@H](C)c1nc(CN2CCC[N@H+](C[C@@H]3C[C@H]3c3ccccc3)CC2)cs1 ZINC000459360227 823171358 /nfs/dbraw/zinc/17/13/58/823171358.db2.gz RDMINCHLJBKGTJ-CUWPLCDZSA-N 1 0 385.577 4.162 20 0 GIADRO C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[NH2+][C@@H](c1ccccc1)C(C)(C)CO ZINC000571366739 823172320 /nfs/dbraw/zinc/17/23/20/823172320.db2.gz LRAQWRXQSZOXLR-HXOBKFHXSA-N 1 0 394.515 4.302 20 0 GIADRO CC(C)(C)[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CC1CCS(=O)(=O)CC1 ZINC000571366819 823172331 /nfs/dbraw/zinc/17/23/31/823172331.db2.gz QJTXKTDLGXPXBG-KRWDZBQOSA-N 1 0 391.499 4.077 20 0 GIADRO CC(C)c1ccccc1NC(=O)CN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000571366626 823172343 /nfs/dbraw/zinc/17/23/43/823172343.db2.gz GACTXVYPUFSVBY-VXKWHMMOSA-N 1 0 391.559 4.202 20 0 GIADRO COc1cc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1OCc1cccs1 ZINC000571366380 823172357 /nfs/dbraw/zinc/17/23/57/823172357.db2.gz ZITFTMBVTWBCHM-DFNIBXOVSA-N 1 0 386.561 4.393 20 0 GIADRO CCOc1cc(CNc2ccccc2C[NH+]2CCC(O)CC2)cc(Cl)c1O ZINC000459364198 823172876 /nfs/dbraw/zinc/17/28/76/823172876.db2.gz LGNUAMIUJBWJBV-UHFFFAOYSA-N 1 0 390.911 4.013 20 0 GIADRO C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@@H]1c2ccccc2CC12CCOCC2 ZINC000571369233 823172898 /nfs/dbraw/zinc/17/28/98/823172898.db2.gz WDUBRCAWNRQFQP-OPAMFIHVSA-N 1 0 382.479 4.227 20 0 GIADRO C[C@@H]1CN(c2ccccc2C[NH2+]Cc2ccccc2OCC(F)(F)F)CCO1 ZINC000459378226 823177160 /nfs/dbraw/zinc/17/71/60/823177160.db2.gz VQZPUSAYIFSQNI-MRXNPFEDSA-N 1 0 394.437 4.143 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)N1CCC[C@H]1c1ccccn1 ZINC000056577949 823173924 /nfs/dbraw/zinc/17/39/24/823173924.db2.gz XYGTUUDQHCCRNX-NRFANRHFSA-N 1 0 398.938 4.246 20 0 GIADRO COc1ccc(Nc2ccccc2C(=O)NC2CC[NH+](C3CCC3)CC2)cc1 ZINC000571379207 823174856 /nfs/dbraw/zinc/17/48/56/823174856.db2.gz RMDFYYHTSJVJPG-UHFFFAOYSA-N 1 0 379.504 4.186 20 0 GIADRO CC(C)c1c(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cnn1-c1ccccc1Cl ZINC000188042078 823175968 /nfs/dbraw/zinc/17/59/68/823175968.db2.gz JMWKQEFJXICFQX-HZPDHXFCSA-N 1 0 388.943 4.204 20 0 GIADRO O=C(CSCC1CC[NH2+]CC1)NCCC(c1ccccc1)c1ccccc1 ZINC000571400200 823177737 /nfs/dbraw/zinc/17/77/37/823177737.db2.gz FZQSPEJXPDJMOQ-UHFFFAOYSA-N 1 0 382.573 4.058 20 0 GIADRO CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000056600988 823178165 /nfs/dbraw/zinc/17/81/65/823178165.db2.gz QFQWVPSRVDLGBO-UHFFFAOYSA-N 1 0 391.519 4.235 20 0 GIADRO C[C@H]([NH2+]CCc1cncn1C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000459396674 823182993 /nfs/dbraw/zinc/18/29/93/823182993.db2.gz CPJAFXFRUCBUSD-LBPRGKRZSA-N 1 0 391.338 4.199 20 0 GIADRO OC[C@@]1(Cc2ccc(F)cc2)CC[N@H+](Cc2ccc(Cl)c3cccnc23)C1 ZINC000571442561 823183032 /nfs/dbraw/zinc/18/30/32/823183032.db2.gz UVDZHEUJDRWTKR-JOCHJYFZSA-N 1 0 384.882 4.454 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)NCc2ccccc2N2CCCC2)c1 ZINC000056621686 823183087 /nfs/dbraw/zinc/18/30/87/823183087.db2.gz FJERHNAXHXXZPE-UHFFFAOYSA-N 1 0 394.563 4.128 20 0 GIADRO CCO[C@@H]1C[C@@H]([NH2+][C@H](CC(=O)N(C)C)c2ccccc2)[C@H]1Sc1ccccc1 ZINC000459385694 823179558 /nfs/dbraw/zinc/17/95/58/823179558.db2.gz KFKSYDBTBKBAHK-YYTDSSBASA-N 1 0 398.572 4.134 20 0 GIADRO c1cc2c(s1)CCN([C@@H](C[NH2+]C1CCN(C3CC3)CC1)c1ccccc1)C2 ZINC000459385079 823179600 /nfs/dbraw/zinc/17/96/00/823179600.db2.gz ZFDSVZCJDXIWFH-QFIPXVFZSA-N 1 0 381.589 4.064 20 0 GIADRO COc1cccc(C[C@H]([NH2+]CC2CCN(C(=O)c3ccccc3)CC2)C2CC2)c1 ZINC000121409821 823179633 /nfs/dbraw/zinc/17/96/33/823179633.db2.gz PLBIZNBKTCNORA-DEOSSOPVSA-N 1 0 392.543 4.158 20 0 GIADRO c1cc2c(s1)CCN([C@H](C[NH2+]C1CCN(C3CC3)CC1)c1ccccc1)C2 ZINC000459385078 823179688 /nfs/dbraw/zinc/17/96/88/823179688.db2.gz ZFDSVZCJDXIWFH-JOCHJYFZSA-N 1 0 381.589 4.064 20 0 GIADRO O=C(Nc1ccc(N2CCCC2)c(F)c1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176313722 823179702 /nfs/dbraw/zinc/17/97/02/823179702.db2.gz FKQHEAGGTWRMMF-UHFFFAOYSA-N 1 0 388.531 4.345 20 0 GIADRO CCN(C(=O)NCc1noc2ccccc12)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000571417887 823180083 /nfs/dbraw/zinc/18/00/83/823180083.db2.gz VCTGUIBRDITTGU-IEBWSBKVSA-N 1 0 392.503 4.195 20 0 GIADRO CCOc1cc(C[NH2+]C2CCN(c3ccccc3OC)CC2)cc(Cl)c1O ZINC000459387469 823180319 /nfs/dbraw/zinc/18/03/19/823180319.db2.gz JOMGAZCJOGDONA-UHFFFAOYSA-N 1 0 390.911 4.212 20 0 GIADRO CCOC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000176317136 823180457 /nfs/dbraw/zinc/18/04/57/823180457.db2.gz CHLUOPJSDUSLSK-NWDGAFQWSA-N 1 0 378.822 4.044 20 0 GIADRO Cc1ccc(NC(=O)C2CC2)cc1NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000121419112 823181051 /nfs/dbraw/zinc/18/10/51/823181051.db2.gz QQPODYFPLRKOKV-UHFFFAOYSA-N 1 0 393.531 4.430 20 0 GIADRO C[C@H]1CN(c2ccccc2C[NH2+]Cc2cc(Br)cs2)CCO1 ZINC000459393427 823181740 /nfs/dbraw/zinc/18/17/40/823181740.db2.gz QYTPPIFHYHYDHI-ZDUSSCGKSA-N 1 0 381.339 4.026 20 0 GIADRO CC(=O)Nc1cc(NC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)ccc1C ZINC000056618443 823182146 /nfs/dbraw/zinc/18/21/46/823182146.db2.gz AUVGQDALRAEVMG-UHFFFAOYSA-N 1 0 386.540 4.073 20 0 GIADRO FC1(F)CC[N@H+](Cc2ccccc2)C[C@H]1c1nc(-c2n[nH]c3ccccc32)no1 ZINC000571446893 823183966 /nfs/dbraw/zinc/18/39/66/823183966.db2.gz WHRZONJLCKACCY-INIZCTEOSA-N 1 0 395.413 4.238 20 0 GIADRO CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+]C/C(C)=C\c1ccccc1OC(F)F ZINC000571452636 823185007 /nfs/dbraw/zinc/18/50/07/823185007.db2.gz SKRVZEJJRDVGTC-JZJXTHMUSA-N 1 0 377.435 4.028 20 0 GIADRO C[C@H]1CN(Cc2cccc(NC(=O)c3c(F)cccc3Cl)c2)C[C@H](C)O1 ZINC000121440485 823185038 /nfs/dbraw/zinc/18/50/38/823185038.db2.gz GHBCORADKCBWKJ-KBPBESRZSA-N 1 0 376.859 4.341 20 0 GIADRO COc1ncccc1CC[NH2+][C@H](c1ccco1)c1ccc(Br)cc1 ZINC000571454145 823185277 /nfs/dbraw/zinc/18/52/77/823185277.db2.gz VSAFBTBNRWVWDA-SFHVURJKSA-N 1 0 387.277 4.367 20 0 GIADRO COc1cc(C[NH2+][C@H](C2CC2)C(C)(C)CO)ccc1OCc1ccc(F)cc1 ZINC000571458120 823185834 /nfs/dbraw/zinc/18/58/34/823185834.db2.gz XOYJYTKDUFLRBA-JOCHJYFZSA-N 1 0 387.495 4.300 20 0 GIADRO CCc1nc2n(n1)C[C@H]([NH2+]C/C=C\c1ccc(OCc3ccccc3)cc1)CC2 ZINC000459406615 823185895 /nfs/dbraw/zinc/18/58/95/823185895.db2.gz USOGCTHCMGTMLF-DFOOEPSASA-N 1 0 388.515 4.037 20 0 GIADRO COc1cccc([C@H](NCc2cnc(C3CC3)nc2)c2cc(F)ccc2OC)c1 ZINC000459421704 823188848 /nfs/dbraw/zinc/18/88/48/823188848.db2.gz HBRMOZRWNTVUET-QFIPXVFZSA-N 1 0 393.462 4.390 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459411727 823187091 /nfs/dbraw/zinc/18/70/91/823187091.db2.gz UOSHBGDNLZMDRL-LLVKDONJSA-N 1 0 384.480 4.481 20 0 GIADRO C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@H+](C)CC1CCC(F)(F)CC1 ZINC000459421272 823188937 /nfs/dbraw/zinc/18/89/37/823188937.db2.gz DUFSDWCQBLROIV-HNNXBMFYSA-N 1 0 386.508 4.045 20 0 GIADRO CCO[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc(C)cn3)CC2)[C@H]1Sc1ccccc1 ZINC000459422081 823188953 /nfs/dbraw/zinc/18/89/53/823188953.db2.gz CTYVISPPIJRHJK-MQSCRBSSSA-N 1 0 397.588 4.287 20 0 GIADRO CCCC[NH+]1CCC(NC(=O)Nc2ccccc2O[C@H](C)C(F)(F)F)CC1 ZINC000571479019 823188971 /nfs/dbraw/zinc/18/89/71/823188971.db2.gz KFHBRLHWQSIAGI-CQSZACIVSA-N 1 0 387.446 4.402 20 0 GIADRO CCC[C@H](C(=O)N(C)C1CC[NH+](Cc2ncc(C)c(OC)c2C)CC1)C(C)C ZINC000121454634 823187626 /nfs/dbraw/zinc/18/76/26/823187626.db2.gz MXLBGJLJWCPEBA-FQEVSTJZSA-N 1 0 389.584 4.202 20 0 GIADRO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(NC(N)=O)cc2)[C@H]1Sc1ccccc1 ZINC000459422528 823189197 /nfs/dbraw/zinc/18/91/97/823189197.db2.gz YLDHGAFPYQDCJS-LMFCIFFHSA-N 1 0 385.533 4.166 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1C[NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000459454016 823195396 /nfs/dbraw/zinc/19/53/96/823195396.db2.gz BDPBBGUHHUMWSQ-QFBILLFUSA-N 1 0 389.471 4.480 20 0 GIADRO COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]C[C@@](C)(O)Cc1ccc(OC)c(OC)c1 ZINC000571486863 823190182 /nfs/dbraw/zinc/19/01/82/823190182.db2.gz PZQSWGGMSVJQRJ-YKSBVNFPSA-N 1 0 399.531 4.018 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c2ccccc2O1 ZINC000571521419 823195581 /nfs/dbraw/zinc/19/55/81/823195581.db2.gz PNNRFRMXRMOIKK-NXHRZFHOSA-N 1 0 385.533 4.097 20 0 GIADRO COc1cc(CCC(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)ccc1Cl ZINC000121475092 823191426 /nfs/dbraw/zinc/19/14/26/823191426.db2.gz XTGZXBKWHBSZKW-LJQANCHMSA-N 1 0 392.971 4.252 20 0 GIADRO CCOc1cc(C[NH2+]CCc2ccn(-c3ccc(F)cc3)n2)cc(Cl)c1O ZINC000459435986 823191904 /nfs/dbraw/zinc/19/19/04/823191904.db2.gz YAXFGLMHWBXVQQ-UHFFFAOYSA-N 1 0 389.858 4.101 20 0 GIADRO CC[C@H](NC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1)c1ccncc1 ZINC000176366847 823192372 /nfs/dbraw/zinc/19/23/72/823192372.db2.gz VBJPHTXKOAJAMS-QFIPXVFZSA-N 1 0 380.536 4.264 20 0 GIADRO Oc1cccc(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)c1Br ZINC000459442463 823192521 /nfs/dbraw/zinc/19/25/21/823192521.db2.gz OWSOEMIAKJZZCD-WMLDXEAASA-N 1 0 376.294 4.412 20 0 GIADRO CCOCCC1(C[NH2+]Cc2cc(Br)c(O)c(OCC)c2)CCC1 ZINC000459441885 823192566 /nfs/dbraw/zinc/19/25/66/823192566.db2.gz ZBUODQIPKIZKNE-UHFFFAOYSA-N 1 0 386.330 4.240 20 0 GIADRO C[NH+](C)CCN(Cc1cccs1)C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000176370267 823192777 /nfs/dbraw/zinc/19/27/77/823192777.db2.gz NZIKSUQIQGTPNO-UHFFFAOYSA-N 1 0 385.455 4.040 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(C(=O)Nc3ccc(F)cc3)cc2)[C@H]1SC ZINC000459443488 823193022 /nfs/dbraw/zinc/19/30/22/823193022.db2.gz QCJLAJKKPMORJN-XUVXKRRUSA-N 1 0 388.508 4.077 20 0 GIADRO Cc1ccc(NC(=O)C2(C[NH2+][C@@H](C)c3cc4n(n3)CCC4)CCCC2)cc1C ZINC000571502668 823193244 /nfs/dbraw/zinc/19/32/44/823193244.db2.gz GVPCRHCFRPAANM-SFHVURJKSA-N 1 0 380.536 4.296 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)[C@H]1Sc1ccccc1 ZINC000459447623 823194238 /nfs/dbraw/zinc/19/42/38/823194238.db2.gz GNNVEWZFKQUCFI-VETLVUNFSA-N 1 0 389.586 4.413 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCN(C(=O)C3CCCCC3)C1)CCCS2 ZINC000188151420 823194282 /nfs/dbraw/zinc/19/42/82/823194282.db2.gz ZUMGSWZURAOCPJ-YLJYHZDGSA-N 1 0 388.577 4.393 20 0 GIADRO CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCN(C(C)=O)c3ccccc32)[C@H]1Sc1ccccc1 ZINC000459447661 823194357 /nfs/dbraw/zinc/19/43/57/823194357.db2.gz WKTUOYQNGWWEPE-KKSHJYNMSA-N 1 0 396.556 4.412 20 0 GIADRO CC[NH+](CC)CCN(CC(C)C)C(=O)Nc1cc(NC(C)=O)ccc1Cl ZINC000056692340 823194370 /nfs/dbraw/zinc/19/43/70/823194370.db2.gz DLRYQIORZCIASC-UHFFFAOYSA-N 1 0 382.936 4.130 20 0 GIADRO Cc1c(C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)cnn1CCC(C)C ZINC000121495828 823194577 /nfs/dbraw/zinc/19/45/77/823194577.db2.gz MYQLMLVJUKEMBX-SFHVURJKSA-N 1 0 382.552 4.193 20 0 GIADRO CCOc1cc(C[NH2+][C@@H](C)[C@H](OC2CCOCC2)c2ccccc2)ccc1O ZINC000459452565 823194833 /nfs/dbraw/zinc/19/48/33/823194833.db2.gz RKMXAMBURJXVAW-SBUREZEXSA-N 1 0 385.504 4.206 20 0 GIADRO Oc1cccc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)c1Br ZINC000459453155 823195206 /nfs/dbraw/zinc/19/52/06/823195206.db2.gz ACRWVJISBGXVMV-PBHICJAKSA-N 1 0 384.220 4.053 20 0 GIADRO C[NH+](C)CCn1cc(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cn1 ZINC000121503615 823195950 /nfs/dbraw/zinc/19/59/50/823195950.db2.gz MIRORLNQAVMANI-UHFFFAOYSA-N 1 0 380.336 4.094 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000176388472 823196331 /nfs/dbraw/zinc/19/63/31/823196331.db2.gz ZNZKHYQJPWDPEM-UHFFFAOYSA-N 1 0 376.460 4.236 20 0 GIADRO CCOc1cc(C[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)cc(Br)c1O ZINC000459460274 823196802 /nfs/dbraw/zinc/19/68/02/823196802.db2.gz SINXHVBIVBJUQN-CZUORRHYSA-N 1 0 386.330 4.237 20 0 GIADRO CC[C@H](C(=O)Nc1cccc(CN2C[C@@H](C)O[C@@H](C)C2)c1)c1c(C)noc1C ZINC000121507803 823196921 /nfs/dbraw/zinc/19/69/21/823196921.db2.gz UXMFOHTZKIWEKR-MDOVXXIYSA-N 1 0 385.508 4.033 20 0 GIADRO C[C@@H]1C[C@@H](CCNC(=O)Nc2ccc3c(c2)CCN3)C[N@@H+]1Cc1ccccc1 ZINC000571533634 823197233 /nfs/dbraw/zinc/19/72/33/823197233.db2.gz AJCFDCRZTZCQBX-IEBWSBKVSA-N 1 0 378.520 4.077 20 0 GIADRO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]Cc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1 ZINC000571540262 823197878 /nfs/dbraw/zinc/19/78/78/823197878.db2.gz IMFJSELQOWXSRY-FOMKBEIMSA-N 1 0 383.536 4.216 20 0 GIADRO CC[C@H](C)Oc1cc(C[NH+]2CCC(CC(=O)N3CCCC3)CC2)ccc1OC ZINC000121518771 823198844 /nfs/dbraw/zinc/19/88/44/823198844.db2.gz FLNUWPJKRSJHOB-SFHVURJKSA-N 1 0 388.552 4.097 20 0 GIADRO CC1(C)[C@H]([NH2+]Cc2cc(Br)cc(Br)c2)[C@@H]2CCO[C@H]21 ZINC000571545946 823198883 /nfs/dbraw/zinc/19/88/83/823198883.db2.gz ZNJPQOYGYRECFR-BFHYXJOUSA-N 1 0 389.131 4.115 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+][C@@H](c2nnc3ccccn32)C(C)C)[C@H]1Sc1ccccc1 ZINC000459475308 823200131 /nfs/dbraw/zinc/20/01/31/823200131.db2.gz ZQQXIBSGDHXZPT-UYWIDEMCSA-N 1 0 396.560 4.354 20 0 GIADRO CS(=O)(=O)c1cccc([C@@H]([NH2+]C2CC3(CCC3)C2)c2ccc(F)c(F)c2)c1 ZINC000459475024 823200140 /nfs/dbraw/zinc/20/01/40/823200140.db2.gz KIEQEYTUXYSWDM-HXUWFJFHSA-N 1 0 391.483 4.380 20 0 GIADRO O=C1CCCN1c1cccc(-c2noc(-c3ccc(C[NH+]4CCCC4)cc3)n2)c1 ZINC000571563375 823200665 /nfs/dbraw/zinc/20/06/65/823200665.db2.gz DMIFLEKMXQQDCD-UHFFFAOYSA-N 1 0 388.471 4.126 20 0 GIADRO C[C@H]([NH2+]CCSCCCO)c1ccc(Br)cc1C(F)(F)F ZINC000188189883 823200730 /nfs/dbraw/zinc/20/07/30/823200730.db2.gz KWEDVJOYOYILTN-JTQLQIEISA-N 1 0 386.277 4.234 20 0 GIADRO C[C@H](Cc1ccc(O)cc1)NC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000056727003 823200923 /nfs/dbraw/zinc/20/09/23/823200923.db2.gz ACCCCCJQGQJOST-GOSISDBHSA-N 1 0 381.520 4.173 20 0 GIADRO COc1cc(C[NH2+]Cc2ccnc(Oc3ccccc3F)c2)cc(OC)c1O ZINC000571567656 823201503 /nfs/dbraw/zinc/20/15/03/823201503.db2.gz WRIIYIBOZZVWND-UHFFFAOYSA-N 1 0 384.407 4.026 20 0 GIADRO CN(C)c1ccc(NC(=O)N(CC[NH+](C)C)C2CCCC2)c(C(F)(F)F)c1 ZINC000176410210 823202249 /nfs/dbraw/zinc/20/22/49/823202249.db2.gz ALHYNWCEDJKXGX-UHFFFAOYSA-N 1 0 386.462 4.110 20 0 GIADRO C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1)c1nnc(-c2ccccc2)o1 ZINC000571572915 823202269 /nfs/dbraw/zinc/20/22/69/823202269.db2.gz KDQDCPZLCKEBEF-FASAQXTFSA-N 1 0 384.430 4.111 20 0 GIADRO CCCN(C(=O)NCc1ccn(C(C)C)n1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000571603118 823206402 /nfs/dbraw/zinc/20/64/02/823206402.db2.gz DXVOYATVTICKFL-QFIPXVFZSA-N 1 0 397.567 4.050 20 0 GIADRO COc1ccc(CN2CC[C@@H]([NH2+][C@H](C)c3cc4ccccc4s3)C2=O)cc1 ZINC000188203063 823202880 /nfs/dbraw/zinc/20/28/80/823202880.db2.gz ITBYLIWGYFVHLH-DNVCBOLYSA-N 1 0 380.513 4.362 20 0 GIADRO C[N@H+](CCc1ccccc1O)Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459493586 823203571 /nfs/dbraw/zinc/20/35/71/823203571.db2.gz ZQBSOTSSKUPURM-UHFFFAOYSA-N 1 0 376.504 4.440 20 0 GIADRO COc1ccccc1[C@H](N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000121564535 823206631 /nfs/dbraw/zinc/20/66/31/823206631.db2.gz HIKIMIUGVGRKHQ-HWHXTQLESA-N 1 0 387.527 4.432 20 0 GIADRO COc1cccc(N2CCC[C@@H]([NH2+]Cc3ccc(C)cc3-c3ccnn3C)C2)c1 ZINC000571583564 823204015 /nfs/dbraw/zinc/20/40/15/823204015.db2.gz NWNMPBBQBRPAKT-HXUWFJFHSA-N 1 0 390.531 4.163 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2C[C@@H]2c2cc(OC)ccc2OC)c1 ZINC000188217964 823204832 /nfs/dbraw/zinc/20/48/32/823204832.db2.gz QHIUHOSBXOAVRX-CTNGQTDRSA-N 1 0 382.504 4.288 20 0 GIADRO Cc1cnc([C@H](C)NC(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)s1 ZINC000176434213 823206779 /nfs/dbraw/zinc/20/67/79/823206779.db2.gz DCJYQSISCKUQGN-RDJZCZTQSA-N 1 0 386.565 4.244 20 0 GIADRO C[NH+](C)C[C@H](NC(=O)c1ccc(CCC(F)(F)F)cc1)c1ccc(F)cc1 ZINC000571593933 823205099 /nfs/dbraw/zinc/20/50/99/823205099.db2.gz MKBGFBQJAJUFPZ-SFHVURJKSA-N 1 0 382.401 4.353 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)N3CCc4cccc(Cl)c4C3)c2)CC1 ZINC000459504063 823206035 /nfs/dbraw/zinc/20/60/35/823206035.db2.gz GTWRRUMNJPVMMG-UHFFFAOYSA-N 1 0 398.938 4.072 20 0 GIADRO O=S1(=O)CCC(CCNc2cc[nH+]c3ccc(Oc4ccccc4)cc23)CC1 ZINC000571600992 823206127 /nfs/dbraw/zinc/20/61/27/823206127.db2.gz VQMPTLYOMDOWEL-UHFFFAOYSA-N 1 0 396.512 4.076 20 0 GIADRO Fc1cccc(F)c1-n1ccc(C[NH+]2CCC3(CC2)OCCc2ccccc23)n1 ZINC000459509160 823207347 /nfs/dbraw/zinc/20/73/47/823207347.db2.gz BREHXDHWBWCDPO-UHFFFAOYSA-N 1 0 395.453 4.215 20 0 GIADRO COc1ccc(-c2ccccc2C)cc1C[NH+]1CCC2(CCN(C)C2=O)CC1 ZINC000459511514 823207978 /nfs/dbraw/zinc/20/79/78/823207978.db2.gz IVWBCRCBUCEFTP-UHFFFAOYSA-N 1 0 378.516 4.115 20 0 GIADRO CCn1nncc1C[NH2+]C1(c2ccc(Br)c(C)c2)CCCCC1 ZINC000459517243 823209243 /nfs/dbraw/zinc/20/92/43/823209243.db2.gz RDERTEPRCUYQFJ-UHFFFAOYSA-N 1 0 377.330 4.318 20 0 GIADRO COc1ccccc1[C@H](C[NH2+]Cc1ccccc1N1CCO[C@H](C)C1)OC(C)C ZINC000459518184 823209774 /nfs/dbraw/zinc/20/97/74/823209774.db2.gz FFJOEVAGPGQOPR-DVECYGJZSA-N 1 0 398.547 4.176 20 0 GIADRO COc1ccc([C@H](C)[NH2+]C[C@H](C[C@@H](C)O)c2ccccc2)cc1Cn1cccn1 ZINC000121591961 823212380 /nfs/dbraw/zinc/21/23/80/823212380.db2.gz KEUXXOOIMDANMJ-DXIQSLLYSA-N 1 0 393.531 4.145 20 0 GIADRO COC1(C[NH2+][C@H](c2ccc(Br)cc2Cl)C2CC2)CCOCC1 ZINC000188255705 823209917 /nfs/dbraw/zinc/20/99/17/823209917.db2.gz LBWPMJJYMBSVHP-INIZCTEOSA-N 1 0 388.733 4.339 20 0 GIADRO C[C@@](O)(C[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1)C1CCCCC1 ZINC000459523451 823210977 /nfs/dbraw/zinc/21/09/77/823210977.db2.gz NDUMKLMWNUEVIA-HSZRJFAPSA-N 1 0 382.552 4.481 20 0 GIADRO O=C(c1ccccc1)N1CC[C@@H](C[NH2+][C@H](c2ccccc2)C2(CO)CCCC2)C1 ZINC000459527216 823211792 /nfs/dbraw/zinc/21/17/92/823211792.db2.gz BJLHWGFIYPIFJG-NZQKXSOJSA-N 1 0 392.543 4.032 20 0 GIADRO O=C(c1ccccc1)N1CC[C@H](C[NH2+][C@H](c2ccccc2)C2(CO)CCCC2)C1 ZINC000459527214 823211961 /nfs/dbraw/zinc/21/19/61/823211961.db2.gz BJLHWGFIYPIFJG-NFBKMPQASA-N 1 0 392.543 4.032 20 0 GIADRO C[C@H](c1ccccc1)[C@H](C)NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000176466521 823213807 /nfs/dbraw/zinc/21/38/07/823213807.db2.gz OWXOQAKMCOGAMZ-PMACEKPBSA-N 1 0 379.548 4.485 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)[C@@H](C)c3nc(C(C)(C)C)no3)C2)s1 ZINC000571645823 823213892 /nfs/dbraw/zinc/21/38/92/823213892.db2.gz ISQWZPRFVUDXOA-HOTGVXAUSA-N 1 0 376.570 4.252 20 0 GIADRO COc1ccc([C@H]2C[C@H]([NH2+]Cc3ccccc3N3CCO[C@H](C)C3)C2)cc1F ZINC000459549480 823217971 /nfs/dbraw/zinc/21/79/71/823217971.db2.gz WCACREUASSVRSO-NSISKUIASA-N 1 0 384.495 4.095 20 0 GIADRO CCOc1cc(C[NH2+][C@@H]2CCCc3c(O)cccc32)cc(Br)c1O ZINC000459536173 823214390 /nfs/dbraw/zinc/21/43/90/823214390.db2.gz YFAGSFUZXNLEOY-MRXNPFEDSA-N 1 0 392.293 4.426 20 0 GIADRO FC(F)OC[C@@H]1CC[N@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000459536970 823214796 /nfs/dbraw/zinc/21/47/96/823214796.db2.gz MNYRGOASEMWJGG-OAHLLOKOSA-N 1 0 376.451 4.121 20 0 GIADRO COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000571652674 823214886 /nfs/dbraw/zinc/21/48/86/823214886.db2.gz UBUWFXGLQKEKQZ-ZDUSSCGKSA-N 1 0 389.883 4.043 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1ccc(-c2nncs2)cc1 ZINC000459536816 823214818 /nfs/dbraw/zinc/21/48/18/823214818.db2.gz CDFMTDDHQPBOKV-UHFFFAOYSA-N 1 0 395.532 4.369 20 0 GIADRO CC(C)[C@@H](CNC(=O)Nc1ccc(-c2nncs2)cc1)[NH+]1CCC(C)CC1 ZINC000459543318 823216252 /nfs/dbraw/zinc/21/62/52/823216252.db2.gz LLECEVPOZCSHPZ-GOSISDBHSA-N 1 0 387.553 4.083 20 0 GIADRO Cc1cc(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)sc1-c1ccccc1 ZINC000571698550 823220770 /nfs/dbraw/zinc/22/07/70/823220770.db2.gz RPCQQEHQESRLSB-GUDVDZBRSA-N 1 0 384.545 4.047 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1C[N@@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000459563305 823220803 /nfs/dbraw/zinc/22/08/03/823220803.db2.gz CTKMLRKQZOTZMB-QFIPXVFZSA-N 1 0 399.535 4.148 20 0 GIADRO COc1ccc(-c2ccccc2C)cc1C[NH2+][C@@H]1CCO[C@H](c2ccnn2C)C1 ZINC000459563657 823221216 /nfs/dbraw/zinc/22/12/16/823221216.db2.gz DQZQPMZJVFUHEU-YKSBVNFPSA-N 1 0 391.515 4.414 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+][C@@H](C)c2ccc(Cl)cc2)c1 ZINC000121642554 823221501 /nfs/dbraw/zinc/22/15/01/823221501.db2.gz AYPLRJHYDDXZKT-KGLIPLIRSA-N 1 0 376.884 4.425 20 0 GIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cnc3onc(C(C)(C)C)c3c2)C1 ZINC000409453925 823222516 /nfs/dbraw/zinc/22/25/16/823222516.db2.gz BRZNHOATPOVSNL-MAUKXSAKSA-N 1 0 392.503 4.086 20 0 GIADRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1cccs1)c1nc(C(C)(C)C)cs1 ZINC000176501202 823222512 /nfs/dbraw/zinc/22/25/12/823222512.db2.gz PPZVCKQBCJBDNN-CQSZACIVSA-N 1 0 394.610 4.337 20 0 GIADRO COC1(C[NH2+][C@@H](C)c2ccc(Br)cc2C(F)(F)F)CCOCC1 ZINC000188315085 823218529 /nfs/dbraw/zinc/21/85/29/823218529.db2.gz IEGXVHGHSSFUGD-NSHDSACASA-N 1 0 396.247 4.314 20 0 GIADRO Cc1cccc(C(C)C)c1NC(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188348994 823223529 /nfs/dbraw/zinc/22/35/29/823223529.db2.gz TZUHBPKZWIIATA-XMMPIXPASA-N 1 0 395.547 4.219 20 0 GIADRO C[C@@H](NC(=O)NCc1cccc(C[NH+](C)C)c1)c1ccccc1C(F)(F)F ZINC000056853842 823224342 /nfs/dbraw/zinc/22/43/42/823224342.db2.gz AZCOWGGMQFCYLQ-CQSZACIVSA-N 1 0 379.426 4.327 20 0 GIADRO C[C@@H](NC(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccccc1C(F)(F)F ZINC000056853748 823224471 /nfs/dbraw/zinc/22/44/71/823224471.db2.gz KVMTWLDVIFKOFX-OAHLLOKOSA-N 1 0 383.458 4.284 20 0 GIADRO COc1ccc(-c2ccccc2C)cc1C[N@@H+]1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000459580328 823224586 /nfs/dbraw/zinc/22/45/86/823224586.db2.gz PDMXSXZIBQBXQQ-XKCSPQBFSA-N 1 0 381.516 4.032 20 0 GIADRO C[C@@H]([NH2+]CCCOc1ccc(F)cc1)c1ccc(OCc2nccn2C)cc1 ZINC000121675194 823228147 /nfs/dbraw/zinc/22/81/47/823228147.db2.gz JRVOEXFXKIDDFL-QGZVFWFLSA-N 1 0 383.467 4.258 20 0 GIADRO CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]Cc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1 ZINC000571725074 823225477 /nfs/dbraw/zinc/22/54/77/823225477.db2.gz TWYXVBIAWJYOKN-ILZDJORESA-N 1 0 383.536 4.360 20 0 GIADRO C[C@H](C(=O)N1CCc2ccccc21)[NH+]1CCC(c2noc3cc(F)ccc32)CC1 ZINC000571724991 823225483 /nfs/dbraw/zinc/22/54/83/823225483.db2.gz KJFNDXGTJREIFV-OAHLLOKOSA-N 1 0 393.462 4.124 20 0 GIADRO O[C@H](C[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1)COc1ccc2ccccc2c1 ZINC000571737036 823228188 /nfs/dbraw/zinc/22/81/88/823228188.db2.gz PLCVBOYWJKKTHS-PUHATCMVSA-N 1 0 397.902 4.353 20 0 GIADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@H](C)c2cccc(OC(F)F)c2)o1 ZINC000056866508 823225709 /nfs/dbraw/zinc/22/57/09/823225709.db2.gz OWRZVZZXDHVQED-OAHLLOKOSA-N 1 0 395.450 4.024 20 0 GIADRO Cc1ccc(C(=O)C2CCN(C(=O)NCCCC[NH+]3CCC(C)CC3)CC2)cc1 ZINC000056868646 823225937 /nfs/dbraw/zinc/22/59/37/823225937.db2.gz GRZVXDAITTUPLS-UHFFFAOYSA-N 1 0 399.579 4.111 20 0 GIADRO COc1cc(C[NH+]2CC(CCO)C2)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000459592195 823226202 /nfs/dbraw/zinc/22/62/02/823226202.db2.gz MTUJYTIXQCSJNL-UHFFFAOYSA-N 1 0 395.421 4.107 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1)c1ccc(OCC2CC2)c(F)c1 ZINC000121667807 823226501 /nfs/dbraw/zinc/22/65/01/823226501.db2.gz VSGLZCZBKXJVPZ-LSDHHAIUSA-N 1 0 381.455 4.002 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)[C@@H]2CCCCN2C(=O)c2cccs2)cc1 ZINC000188372320 823228296 /nfs/dbraw/zinc/22/82/96/823228296.db2.gz SQHCUWVCOCAJLB-IBGZPJMESA-N 1 0 399.560 4.223 20 0 GIADRO COc1ccc(C[NH2+]Cc2ccc3cnn(C)c3c2)cc1OCc1ccccc1 ZINC000571731200 823227019 /nfs/dbraw/zinc/22/70/19/823227019.db2.gz PCOAQLBGBGTHMT-UHFFFAOYSA-N 1 0 387.483 4.451 20 0 GIADRO CSc1ccc([C@@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccc(C)o2)cc1 ZINC000056882151 823227453 /nfs/dbraw/zinc/22/74/53/823227453.db2.gz VBCZTSOQPHAPJC-MRXNPFEDSA-N 1 0 375.538 4.144 20 0 GIADRO C[C@@H](CCCc1cccnc1)[NH2+][C@@H](C)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000459630498 823232761 /nfs/dbraw/zinc/23/27/61/823232761.db2.gz AMTJHVUXJIWXGA-IRXDYDNUSA-N 1 0 396.560 4.039 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N[C@H](c3cccs3)C(C)(C)CO)ccc21 ZINC000459611439 823229505 /nfs/dbraw/zinc/22/95/05/823229505.db2.gz DAFXOMYHJQXUGS-IEBWSBKVSA-N 1 0 387.549 4.178 20 0 GIADRO C[NH2+]C(C)(C)CNC(=O)Nc1ccc(Oc2cccc(F)c2)c2ccncc12 ZINC000571748814 823229625 /nfs/dbraw/zinc/22/96/25/823229625.db2.gz HNSHGOJIZLBAIN-UHFFFAOYSA-N 1 0 382.439 4.286 20 0 GIADRO CCOC(=O)c1cnc(C(=O)Nc2ccc(C[NH+](CC)CC)cc2)c(Cl)c1 ZINC000188380889 823230114 /nfs/dbraw/zinc/23/01/14/823230114.db2.gz FOIZOPVVBJQYLQ-UHFFFAOYSA-N 1 0 389.883 4.006 20 0 GIADRO Cc1ccccc1[C@H](OC[C@H](O)C[NH2+][C@@H](C)c1cncc(F)c1)c1ccccc1 ZINC000459618112 823230586 /nfs/dbraw/zinc/23/05/86/823230586.db2.gz BUPWJVHHFFILDK-KUWBRRTOSA-N 1 0 394.490 4.347 20 0 GIADRO CC(C)CC[NH+]1CCC(CNC(=O)c2cccc(NC(=O)c3ccco3)c2)CC1 ZINC000176541723 823232979 /nfs/dbraw/zinc/23/29/79/823232979.db2.gz UXGXTXKQGQBNOR-UHFFFAOYSA-N 1 0 397.519 4.020 20 0 GIADRO C[C@@H](CCCc1cccnc1)[NH2+]CC(=O)N1CC[C@H](C)Sc2ccccc21 ZINC000459631091 823233046 /nfs/dbraw/zinc/23/30/46/823233046.db2.gz BDOPBGNBALYPDK-ROUUACIJSA-N 1 0 383.561 4.300 20 0 GIADRO CC(C)Cn1cc(NC(=O)c2ccccc2CC2CC[NH2+]CC2)c(C(F)F)n1 ZINC000571763976 823231749 /nfs/dbraw/zinc/23/17/49/823231749.db2.gz XBCGNDRZAQTVNG-UHFFFAOYSA-N 1 0 390.478 4.271 20 0 GIADRO C[C@H](NC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)c1ccc(OC(F)F)cc1 ZINC000056936938 823233084 /nfs/dbraw/zinc/23/30/84/823233084.db2.gz UVCKMHJIQISENN-UGSOOPFHSA-N 1 0 395.425 4.090 20 0 GIADRO Cc1c(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)cccc1-c1ccccn1 ZINC000121694576 823232106 /nfs/dbraw/zinc/23/21/06/823232106.db2.gz JUGFEOXMZLRDCF-JOCHJYFZSA-N 1 0 377.463 4.229 20 0 GIADRO COc1cccc([C@H](CNC(=O)c2cccc(-c3ccccn3)c2C)[NH+](C)C)c1 ZINC000121695048 823232122 /nfs/dbraw/zinc/23/21/22/823232122.db2.gz BBTPBYVCCPAWCC-QHCPKHFHSA-N 1 0 389.499 4.098 20 0 GIADRO C[C@@H](c1cc(F)ccc1F)N(C)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000056934560 823232579 /nfs/dbraw/zinc/23/25/79/823232579.db2.gz WVNNUGSBLJBUOH-DJJJIMSYSA-N 1 0 379.426 4.109 20 0 GIADRO COC(=O)c1ccc(-c2nc(C[NH2+][C@H](C)CCCc3cccnc3)co2)cc1 ZINC000459632848 823233485 /nfs/dbraw/zinc/23/34/85/823233485.db2.gz GAIVAFQRJJXEIU-MRXNPFEDSA-N 1 0 379.460 4.024 20 0 GIADRO COC[C@H]([NH2+]C[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000571782162 823233540 /nfs/dbraw/zinc/23/35/40/823233540.db2.gz SKPIPOLENNYJKG-QMMLZNLJSA-N 1 0 376.903 4.449 20 0 GIADRO C[NH+](C)CC1CCC(NC(=O)C(C)(C)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000188414286 823237374 /nfs/dbraw/zinc/23/73/74/823237374.db2.gz VLIQLNFTOKYPJZ-UHFFFAOYSA-N 1 0 386.458 4.099 20 0 GIADRO CC(C)N1CCc2nc(C[NH2+]CCc3cccc(Br)c3)sc2C1 ZINC000459647175 823237790 /nfs/dbraw/zinc/23/77/90/823237790.db2.gz SXVPHCIFQPKDBN-UHFFFAOYSA-N 1 0 394.382 4.004 20 0 GIADRO CCOc1ccccc1Oc1ccccc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000176545173 823233923 /nfs/dbraw/zinc/23/39/23/823233923.db2.gz DGCNXJYYHCFFEH-MSOLQXFVSA-N 1 0 380.488 4.186 20 0 GIADRO C[C@@H](CCCc1cccnc1)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000459634940 823234468 /nfs/dbraw/zinc/23/44/68/823234468.db2.gz FXCMBMORYXUTCL-WMLDXEAASA-N 1 0 383.319 4.129 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)N[C@@H](c1ccco1)c1ccccc1)c1ccc(F)cc1 ZINC000056950226 823234538 /nfs/dbraw/zinc/23/45/38/823234538.db2.gz QRYXWAGHPQQKJD-TZIWHRDSSA-N 1 0 381.451 4.110 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)N[C@H](c1ccco1)c1ccccc1)c1ccc(F)cc1 ZINC000056950224 823234596 /nfs/dbraw/zinc/23/45/96/823234596.db2.gz QRYXWAGHPQQKJD-CTNGQTDRSA-N 1 0 381.451 4.110 20 0 GIADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000409501231 823235699 /nfs/dbraw/zinc/23/56/99/823235699.db2.gz LXMBBLPPQREYAC-GMBSWORKSA-N 1 0 396.934 4.183 20 0 GIADRO COc1ccc([C@@H]([NH2+]C2CCN(Cc3ccccn3)CC2)c2ccco2)cc1 ZINC000571802743 823236257 /nfs/dbraw/zinc/23/62/57/823236257.db2.gz HDAOYOJTRLXSHT-HSZRJFAPSA-N 1 0 377.488 4.027 20 0 GIADRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1sc(Cc2ccc(F)cc2)nc1C ZINC000056972199 823236816 /nfs/dbraw/zinc/23/68/16/823236816.db2.gz VTXAQZVRSRYLOC-HNNXBMFYSA-N 1 0 391.556 4.422 20 0 GIADRO C[C@@H](CCCc1cccnc1)[NH2+]CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000459645666 823237103 /nfs/dbraw/zinc/23/71/03/823237103.db2.gz RCINOIAURROTOY-ZDUSSCGKSA-N 1 0 397.853 4.276 20 0 GIADRO C[C@H](CCCc1cccnc1)[NH2+]CC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000459647985 823238028 /nfs/dbraw/zinc/23/80/28/823238028.db2.gz UQZRNPZATRTPOV-MRXNPFEDSA-N 1 0 380.517 4.145 20 0 GIADRO CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+]Cc2ccc(-c3ccccc3)o2)cc1 ZINC000121725942 823238071 /nfs/dbraw/zinc/23/80/71/823238071.db2.gz WFOAWBZPOQBEAE-UHFFFAOYSA-N 1 0 398.528 4.265 20 0 GIADRO CC(C)C[C@H](Cc1cccc(Br)c1)C(=O)N1CCC([NH+](C)C)CC1 ZINC000176566753 823238811 /nfs/dbraw/zinc/23/88/11/823238811.db2.gz DVUXRJZJCJOEDX-QGZVFWFLSA-N 1 0 395.385 4.207 20 0 GIADRO C[C@@H](Sc1ccnc2cc(Cl)ccc21)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000176587111 823242444 /nfs/dbraw/zinc/24/24/44/823242444.db2.gz YOCJRWPZLUQGJS-HUUCEWRRSA-N 1 0 391.968 4.169 20 0 GIADRO COc1ccc2c(c1)CCC[C@H]2CC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000057042761 823242540 /nfs/dbraw/zinc/24/25/40/823242540.db2.gz JFQJYPRXRNCJSF-NRFANRHFSA-N 1 0 392.543 4.286 20 0 GIADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cnn(-c3ccccc3C)c2C(C)C)C1 ZINC000188427635 823239769 /nfs/dbraw/zinc/23/97/69/823239769.db2.gz PFPYMHGSDXERIL-IBGZPJMESA-N 1 0 382.552 4.108 20 0 GIADRO COc1ccc(NC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cc1SC ZINC000459655130 823240841 /nfs/dbraw/zinc/24/08/41/823240841.db2.gz DHPHHQLAPSCYPN-UHFFFAOYSA-N 1 0 385.533 4.157 20 0 GIADRO Cc1nc(C(F)(F)F)ccc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000176580979 823241378 /nfs/dbraw/zinc/24/13/78/823241378.db2.gz RALBZENRMIUGLI-RHSMWYFYSA-N 1 0 391.437 4.192 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)CSc2nc3ccccc3o2)CC[N@@H+]1Cc1ccccc1 ZINC000176581429 823241466 /nfs/dbraw/zinc/24/14/66/823241466.db2.gz HHOCPSQYHAGTJO-AEFFLSMTSA-N 1 0 395.528 4.089 20 0 GIADRO Fc1ccc(C2=CC[C@H]([NH2+][C@@H]3CCCc4c3cnn4-c3ncccn3)CC2)cc1 ZINC000571831281 823241518 /nfs/dbraw/zinc/24/15/18/823241518.db2.gz ATSLOTRRCHVCML-PZJWPPBQSA-N 1 0 389.478 4.405 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)CCCc2nc3ccccc3[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000176582927 823241787 /nfs/dbraw/zinc/24/17/87/823241787.db2.gz YMZXXORWCHMZGV-UYAOXDASSA-N 1 0 390.531 4.055 20 0 GIADRO CC(C)([NH2+]C[C@@H](O)COCc1ccccc1F)c1cccc(C(F)(F)F)c1 ZINC000571833713 823241831 /nfs/dbraw/zinc/24/18/31/823241831.db2.gz GDBJJWJRSIMRCZ-QGZVFWFLSA-N 1 0 385.401 4.247 20 0 GIADRO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H](C)c1cncc(F)c1 ZINC000459656366 823241896 /nfs/dbraw/zinc/24/18/96/823241896.db2.gz VZRGCLAPFUKFIP-NEPJUHHUSA-N 1 0 385.361 4.187 20 0 GIADRO Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459659745 823243321 /nfs/dbraw/zinc/24/33/21/823243321.db2.gz ZNISURLQDMDYQT-QGZVFWFLSA-N 1 0 387.490 4.436 20 0 GIADRO COc1ccc(NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1SC ZINC000459660437 823243542 /nfs/dbraw/zinc/24/35/42/823243542.db2.gz OGVJYHQDMKDNNF-UHFFFAOYSA-N 1 0 399.560 4.451 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cnn(-c3ccccc3Cl)c2C(C)C)C1 ZINC000188465655 823244943 /nfs/dbraw/zinc/24/49/43/823244943.db2.gz WKXXSEMWUZNIAB-MRXNPFEDSA-N 1 0 388.943 4.063 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H](C)c2ccc(-c3cccnc3)cc2)C1 ZINC000176602741 823246092 /nfs/dbraw/zinc/24/60/92/823246092.db2.gz PPJJRVGHNPKTIN-RBUKOAKNSA-N 1 0 380.536 4.183 20 0 GIADRO FC(F)(F)[C@@H]1CC[N@H+](CCCOCCc2ccccc2)CC12CCOCC2 ZINC000459668845 823246409 /nfs/dbraw/zinc/24/64/09/823246409.db2.gz UKQRRZSKBIMIGS-LJQANCHMSA-N 1 0 385.470 4.317 20 0 GIADRO C[C@H](NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1ccc(-c2cccnc2)cc1 ZINC000176605391 823246787 /nfs/dbraw/zinc/24/67/87/823246787.db2.gz HEOJHLQRAVJQIP-CVDCTZTESA-N 1 0 392.547 4.470 20 0 GIADRO COC1CCC([NH2+]Cc2csc(N(C(C)=O)c3ccc(F)cc3)n2)CC1 ZINC000459671104 823247178 /nfs/dbraw/zinc/24/71/78/823247178.db2.gz FWPRIMMKMKYKAB-UHFFFAOYSA-N 1 0 377.485 4.014 20 0 GIADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NCC[C@@H]2CCc3ccccc32)CC1 ZINC000571873392 823248403 /nfs/dbraw/zinc/24/84/03/823248403.db2.gz WVEZUCKBBUYFDI-NQIIRXRSSA-N 1 0 392.547 4.026 20 0 GIADRO O=C(Nc1cccc(CSC2CCCCC2)c1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000571873095 823248434 /nfs/dbraw/zinc/24/84/34/823248434.db2.gz DJVBHFSKDVLDRI-SFHVURJKSA-N 1 0 399.564 4.021 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)c2ccc(OC)cc2OCC2CC2)CC1 ZINC000409556013 823248958 /nfs/dbraw/zinc/24/89/58/823248958.db2.gz OUSPIKWWALBSRL-UHFFFAOYSA-N 1 0 388.552 4.068 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)c(CC(=O)N2CC[NH2+]C[C@H]2c2ccccc2)s1 ZINC000571884370 823249559 /nfs/dbraw/zinc/24/95/59/823249559.db2.gz RDDGLMYORHZDFE-FQEVSTJZSA-N 1 0 391.540 4.143 20 0 GIADRO CC(C)c1csc(CNC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)n1 ZINC000121782036 823249796 /nfs/dbraw/zinc/24/97/96/823249796.db2.gz XFADDVOUYQNIIQ-QGZVFWFLSA-N 1 0 378.586 4.064 20 0 GIADRO c1ccn2c(c1)nnc2[C@@H]1CCC[N@@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000121782353 823250268 /nfs/dbraw/zinc/25/02/68/823250268.db2.gz MLLQXZLUSNMDCT-OAQYLSRUSA-N 1 0 399.498 4.083 20 0 GIADRO C[C@H]1C[C@@H](NC(=O)C2(Cc3ccccc3F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000188494653 823250589 /nfs/dbraw/zinc/25/05/89/823250589.db2.gz WKCLDUPQLLJYTG-RXVVDRJESA-N 1 0 380.507 4.318 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)CCCC3CCOCC3)cc2)C1 ZINC000409575642 823252629 /nfs/dbraw/zinc/25/26/29/823252629.db2.gz LMZXWAFJJKHNOV-BGYRXZFFSA-N 1 0 386.580 4.378 20 0 GIADRO CC(C)c1ccc([C@H]([NH2+]C2CCC3(CC2)NC(=O)NC3=O)c2cccs2)cc1 ZINC000571906237 823251987 /nfs/dbraw/zinc/25/19/87/823251987.db2.gz ZOIULYXBCGBOFT-OZWAEMERSA-N 1 0 397.544 4.071 20 0 GIADRO CC(C)OCC[NH+]1CCC(NC(=O)N2CCC[C@H]2c2ccccc2Cl)CC1 ZINC000176626078 823252118 /nfs/dbraw/zinc/25/21/18/823252118.db2.gz JCIRQOLWPWHBGJ-FQEVSTJZSA-N 1 0 393.959 4.076 20 0 GIADRO CC(C)(C[NH2+]CC1=Cc2cc(Br)ccc2OC1)N1CCCCC1 ZINC000409575775 823252780 /nfs/dbraw/zinc/25/27/80/823252780.db2.gz SDVFTWWIWSNRKI-UHFFFAOYSA-N 1 0 379.342 4.079 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)N[C@@H](CC(F)(F)F)c1ccccc1)c1cccc(F)c1 ZINC000057131354 823253269 /nfs/dbraw/zinc/25/32/69/823253269.db2.gz VMCYJTDXMXOIBL-ZWKOTPCHSA-N 1 0 397.416 4.421 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)CCc2ccc(C(F)(F)F)cc2)[C@@H]1n1cccn1 ZINC000571945025 823258175 /nfs/dbraw/zinc/25/81/75/823258175.db2.gz PNHIOHYMZIGIMF-FDPIWHGQSA-N 1 0 381.442 4.231 20 0 GIADRO CC[C@H](C)[NH2+][C@H](CNC(=O)Cc1nc(-c2ccccc2)oc1C)c1ccco1 ZINC000571914113 823253329 /nfs/dbraw/zinc/25/33/29/823253329.db2.gz QPUUGORPIIPZFO-HNAYVOBHSA-N 1 0 381.476 4.031 20 0 GIADRO C[C@@H]([NH2+]CC1CCN(CC(F)(F)F)CC1)c1ccc(Br)s1 ZINC000188510939 823253714 /nfs/dbraw/zinc/25/37/14/823253714.db2.gz JHRNUYKVJFQJRK-SNVBAGLBSA-N 1 0 385.293 4.436 20 0 GIADRO COC1CC[NH+](C(C)(C)CNC(=O)c2cc3cccc(Cl)c3s2)CC1 ZINC000571922584 823254587 /nfs/dbraw/zinc/25/45/87/823254587.db2.gz IPDZFSBVJLEDQV-UHFFFAOYSA-N 1 0 380.941 4.174 20 0 GIADRO C[C@H](NC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)[C@@H]1CC2CCC1CC2 ZINC000571927523 823255181 /nfs/dbraw/zinc/25/51/81/823255181.db2.gz YWIUBOUNMQGYND-FZEICLPQSA-N 1 0 384.568 4.121 20 0 GIADRO C[C@H](CCC(F)(F)F)[NH2+]C[C@H](CO)Cc1cc(F)cc(Br)c1 ZINC000459709935 823255198 /nfs/dbraw/zinc/25/51/98/823255198.db2.gz UFVYCMYCDSPPFK-ZYHUDNBSSA-N 1 0 386.227 4.060 20 0 GIADRO C[C@H](c1ccc(F)cc1)N1CC[C@H]([NH+]2CCC(c3ccc(O)cc3)CC2)C1=O ZINC000571942655 823257999 /nfs/dbraw/zinc/25/79/99/823257999.db2.gz JGRWFIFZRUAKNB-ZHRRBRCNSA-N 1 0 382.479 4.073 20 0 GIADRO C[C@@H]([NH2+]CC1CCN(CC(F)(F)F)CC1)c1ccc(Br)cc1O ZINC000188521291 823255765 /nfs/dbraw/zinc/25/57/65/823255765.db2.gz UABKCZXTWZNXQP-LLVKDONJSA-N 1 0 395.263 4.080 20 0 GIADRO Cc1cc(Br)ccc1-c1noc([C@]2(F)CC[N@@H+](C(C)(C)C)C2)n1 ZINC000571932573 823256427 /nfs/dbraw/zinc/25/64/27/823256427.db2.gz YEZFXFWBPTWMLM-KRWDZBQOSA-N 1 0 382.277 4.477 20 0 GIADRO CC(=O)Nc1cccc(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)c1C ZINC000188530584 823258032 /nfs/dbraw/zinc/25/80/32/823258032.db2.gz BFSYNHYFJQSGDM-UHFFFAOYSA-N 1 0 395.503 4.070 20 0 GIADRO CCC[N@H+](CC)Cc1ccc(C(=O)N(C)CC(=O)Nc2cccc(C)c2C)cc1 ZINC000409592950 823256805 /nfs/dbraw/zinc/25/68/05/823256805.db2.gz GDUGZNHHYVFLJX-UHFFFAOYSA-N 1 0 395.547 4.246 20 0 GIADRO COCCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1 ZINC000121816116 823256980 /nfs/dbraw/zinc/25/69/80/823256980.db2.gz MSLOWBGQDSBZLM-DLBZAZTESA-N 1 0 382.504 4.472 20 0 GIADRO 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 ZINC000411943475 823615574 /nfs/dbraw/zinc/61/55/74/823615574.db2.gz QQWUTZUNNKZPLC-QWRGUYRKSA-N 1 0 382.348 4.195 20 0 GIADRO CCOc1cc(C[NH2+][C@]2(C)CC=CCC2)ccc1OCC(=O)N1CCCCC1 ZINC000459743414 823259103 /nfs/dbraw/zinc/25/91/03/823259103.db2.gz CICWRGPXQZXYMH-HSZRJFAPSA-N 1 0 386.536 4.065 20 0 GIADRO O=C(C1CC[NH+](Cc2ccccc2)CC1)N1C[C@@H]2CCCCN2c2ccccc21 ZINC000571953113 823259295 /nfs/dbraw/zinc/25/92/95/823259295.db2.gz PVKHXYZVXNSZKH-QFIPXVFZSA-N 1 0 389.543 4.304 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@H]1CCCC(F)(F)C1 ZINC000409619771 823263513 /nfs/dbraw/zinc/26/35/13/823263513.db2.gz GTAPYJGFJUZBPT-NEWSRXKRSA-N 1 0 379.495 4.022 20 0 GIADRO Cc1nnc([C@@H](C)[NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)s1 ZINC000459748781 823259998 /nfs/dbraw/zinc/25/99/98/823259998.db2.gz IAMMMHTUBIBQLB-GQWLDOHISA-N 1 0 396.535 4.304 20 0 GIADRO CC(C)c1nc(CN[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)no1 ZINC000459751643 823260236 /nfs/dbraw/zinc/26/02/36/823260236.db2.gz KLIAZWJNOIGRHY-LEWJYISDSA-N 1 0 394.494 4.090 20 0 GIADRO CO[C@@H]1C[C@H]([NH2+]Cc2ncc(-c3ccccc3Br)o2)C12CCC2 ZINC000459750856 823260288 /nfs/dbraw/zinc/26/02/88/823260288.db2.gz HRSCLPGJSABVCA-JKSUJKDBSA-N 1 0 377.282 4.151 20 0 GIADRO COc1ccc([C@@H](CO)C[NH2+]Cc2ccc(Oc3cccnc3)c(C)c2)cc1 ZINC000459752155 823260587 /nfs/dbraw/zinc/26/05/87/823260587.db2.gz OFMBTCCOSBCCMN-HXUWFJFHSA-N 1 0 378.472 4.057 20 0 GIADRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)NCc2cccc(O)c2)cc1 ZINC000057183906 823260779 /nfs/dbraw/zinc/26/07/79/823260779.db2.gz VMKBOQHIWUIRQX-UHFFFAOYSA-N 1 0 389.499 4.120 20 0 GIADRO COc1ccc([C@@H](CO)C[NH2+]Cc2ccc(-c3ccccc3OC)cc2)cc1 ZINC000459757335 823260892 /nfs/dbraw/zinc/26/08/92/823260892.db2.gz RNQJNVIHUKDBFK-OAQYLSRUSA-N 1 0 377.484 4.237 20 0 GIADRO Cc1cc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cc(C)c1O ZINC000571961453 823260933 /nfs/dbraw/zinc/26/09/33/823260933.db2.gz YIEICQZKZLCWSR-LJQANCHMSA-N 1 0 396.535 4.240 20 0 GIADRO C[C@@H]1OCC[C@]1(O)C[N@H+](Cc1csc(Br)c1)Cc1ccccc1 ZINC000571961354 823261056 /nfs/dbraw/zinc/26/10/56/823261056.db2.gz TWJRZDHSCZZOSO-KSSFIOAISA-N 1 0 396.350 4.053 20 0 GIADRO C[C@@H]1[C@H]([NH2+][C@@H]2CCO[C@H]2c2cncc(Br)c2)C[C@H]1c1ccccc1 ZINC000459757912 823261160 /nfs/dbraw/zinc/26/11/60/823261160.db2.gz IAGGFRROLXBEHD-OBHGLWADSA-N 1 0 387.321 4.456 20 0 GIADRO C[C@H]1CCC[N@H+](CCNC(=O)c2sc3ccccc3c2Br)C1 ZINC000571964700 823261697 /nfs/dbraw/zinc/26/16/97/823261697.db2.gz ONBAFQLUEJEYJX-LBPRGKRZSA-N 1 0 381.339 4.126 20 0 GIADRO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@@H](C)c1ccn(C)n1 ZINC000459764615 823261896 /nfs/dbraw/zinc/26/18/96/823261896.db2.gz VBPKVGAQBDDWAL-MNOVXSKESA-N 1 0 388.821 4.160 20 0 GIADRO CCC[C@H]([NH2+]CC(=O)Nc1c(F)cc(F)cc1Br)C1CCC1 ZINC000459768437 823262424 /nfs/dbraw/zinc/26/24/24/823262424.db2.gz AZXJYUNSAGSBHV-AWEZNQCLSA-N 1 0 375.257 4.224 20 0 GIADRO Cc1ccnc(-c2n[nH]c([C@@H](C)[NH2+]C3CCC(c4ccc(O)cc4)CC3)n2)c1 ZINC000571975391 823264072 /nfs/dbraw/zinc/26/40/72/823264072.db2.gz GDCGYUNFGIPLHL-KLHKWILBSA-N 1 0 377.492 4.258 20 0 GIADRO CC(C)(C)OC(=O)N1Cc2ccc(CNC3CC[NH+](C(C)(C)C)CC3)cc2C1 ZINC000188594407 823268806 /nfs/dbraw/zinc/26/88/06/823268806.db2.gz KJFUMANGYMSCSU-UHFFFAOYSA-N 1 0 387.568 4.290 20 0 GIADRO CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+](C)C[C@@H](C)C(=O)OC(C)(C)C ZINC000459787746 823265080 /nfs/dbraw/zinc/26/50/80/823265080.db2.gz CVVDDMOEUPZRHR-CVEARBPZSA-N 1 0 376.541 4.048 20 0 GIADRO COc1ccc(NC(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1SC ZINC000459786881 823265240 /nfs/dbraw/zinc/26/52/40/823265240.db2.gz XZZCNZXFGQXEIL-FUHWJXTLSA-N 1 0 399.560 4.449 20 0 GIADRO O=C(CC[NH+]1CCCCC1)Nc1ccc(NC(=O)c2ccoc2C2CC2)cc1 ZINC000409626912 823265568 /nfs/dbraw/zinc/26/55/68/823265568.db2.gz XNMHAPBIFKZBTD-UHFFFAOYSA-N 1 0 381.476 4.224 20 0 GIADRO CCc1nc(C(C)C)ccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000459863785 823269122 /nfs/dbraw/zinc/26/91/22/823269122.db2.gz GUXAUKILMCQIML-UHFFFAOYSA-N 1 0 380.536 4.080 20 0 GIADRO COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000571993962 823266909 /nfs/dbraw/zinc/26/69/09/823266909.db2.gz ZZZPATRJOJVLGR-WMLDXEAASA-N 1 0 376.884 4.172 20 0 GIADRO C[NH+](C)CC[C@@H](NC(=O)Nc1cccc(-c2noc(C3CC3)n2)c1)C(C)(C)C ZINC000176684471 823267094 /nfs/dbraw/zinc/26/70/94/823267094.db2.gz NZNFDONTQOIOFZ-QGZVFWFLSA-N 1 0 385.512 4.102 20 0 GIADRO O=C1CCCN1Cc1ccccc1C[NH2+][C@@H]1CCCOc2cc3c(cc21)CCC3 ZINC000121880228 823269196 /nfs/dbraw/zinc/26/91/96/823269196.db2.gz OZBZIENVJMNKEU-HSZRJFAPSA-N 1 0 390.527 4.301 20 0 GIADRO CC(C)OCC[NH+]1CCC(NC(=O)CC(c2ccccc2)c2ccccc2)CC1 ZINC000176686295 823267661 /nfs/dbraw/zinc/26/76/61/823267661.db2.gz DMRODWYDKAVNOA-UHFFFAOYSA-N 1 0 394.559 4.214 20 0 GIADRO CC1(C)Cc2occc2[C@H]([NH2+]C2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)C1 ZINC000572005551 823268377 /nfs/dbraw/zinc/26/83/77/823268377.db2.gz DWNHPCFLTVMNPZ-QGZVFWFLSA-N 1 0 375.900 4.169 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)c3cccc4c3ccn4C)C2)s1 ZINC000572007807 823268557 /nfs/dbraw/zinc/26/85/57/823268557.db2.gz NAYXESCWYYTXKE-KRWDZBQOSA-N 1 0 381.545 4.142 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)c2ccc(Oc3ccccc3)cn2)CC1 ZINC000572016945 823269568 /nfs/dbraw/zinc/26/95/68/823269568.db2.gz OLNKSQNADKVAAB-UHFFFAOYSA-N 1 0 381.520 4.458 20 0 GIADRO C[C@H]([NH2+]C[C@]1(O)CCC[C@H](C(F)(F)F)C1)c1ncc(Br)s1 ZINC000188605989 823271250 /nfs/dbraw/zinc/27/12/50/823271250.db2.gz CJYOOSYWLVUFJZ-AUTRQRHGSA-N 1 0 387.265 4.040 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)c2cccc(NC(=O)C3CCCCC3)c2)CC1 ZINC000057255104 823271603 /nfs/dbraw/zinc/27/16/03/823271603.db2.gz FJNGJZQBVAGFTI-UHFFFAOYSA-N 1 0 385.552 4.152 20 0 GIADRO C[NH+]1CCN(c2ccc(NC(=O)c3cccc(Oc4ccccc4)c3)cc2)CC1 ZINC000005172719 817557251 /nfs/dbraw/zinc/55/72/51/817557251.db2.gz XYDMSXBLSDKEIQ-UHFFFAOYSA-N 1 0 387.483 4.483 20 0 GIADRO COc1cc(CN2CCC([NH2+]CC3CC3)CC2)c(-c2ccccc2)cc1OC ZINC000572039037 823272630 /nfs/dbraw/zinc/27/26/30/823272630.db2.gz RDQDCPVUAVGCRR-UHFFFAOYSA-N 1 0 380.532 4.335 20 0 GIADRO Cc1ccccc1OC[C@H](O)C[NH2+][C@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000572039409 823272728 /nfs/dbraw/zinc/27/27/28/823272728.db2.gz QOODWHMYOJBBGD-UYAOXDASSA-N 1 0 378.472 4.273 20 0 GIADRO C[C@H]([NH2+]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1)c1cc(Br)ccc1O ZINC000188611890 823272915 /nfs/dbraw/zinc/27/29/15/823272915.db2.gz LFRMJDBFOKAWAC-ZIBATOQPSA-N 1 0 396.247 4.289 20 0 GIADRO C[N@H+](Cc1cc(Br)cc(C(F)(F)F)c1)C1CCC(CO)CC1 ZINC000572047487 823273943 /nfs/dbraw/zinc/27/39/43/823273943.db2.gz JQZQFCOGWAOASD-UHFFFAOYSA-N 1 0 380.248 4.451 20 0 GIADRO CC1CC[NH+]([C@H](CNC(=O)c2csc([C@@H]3CCCO3)n2)c2ccccc2)CC1 ZINC000121926336 823278402 /nfs/dbraw/zinc/27/84/02/823278402.db2.gz GHENPYORDZVMRU-UXHICEINSA-N 1 0 399.560 4.198 20 0 GIADRO CCCCN(C(=O)c1cccc2ccc(=O)[nH]c21)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000572077246 823278771 /nfs/dbraw/zinc/27/87/71/823278771.db2.gz IKKGRVKEHJWBPS-UHFFFAOYSA-N 1 0 383.536 4.492 20 0 GIADRO Cc1ccc(C[C@@H]([NH2+][C@@H](C)c2ccc(-n3cnnn3)cc2)c2ccccn2)cc1 ZINC000121911577 823275599 /nfs/dbraw/zinc/27/55/99/823275599.db2.gz YQQKLKLALZNKCL-FDDCHVKYSA-N 1 0 384.487 4.000 20 0 GIADRO C[C@@H](NC(=O)c1cccc(C[NH+]2CCCC2)c1)c1nc(-c2ccncc2)cs1 ZINC000409657574 823275793 /nfs/dbraw/zinc/27/57/93/823275793.db2.gz OXMSVVVSOMGAKC-MRXNPFEDSA-N 1 0 392.528 4.292 20 0 GIADRO C[C@H]([NH2+]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1)c1ccc(Br)cc1O ZINC000188627974 823275977 /nfs/dbraw/zinc/27/59/77/823275977.db2.gz QADQDXBLPVVMBB-ZIBATOQPSA-N 1 0 396.247 4.289 20 0 GIADRO CCOc1cc(C[NH2+][C@H]2CCC[C@H](N3CCCC3=O)C2)ccc1OCC(C)C ZINC000572060365 823276024 /nfs/dbraw/zinc/27/60/24/823276024.db2.gz OUVUUTHZRKEOKW-PMACEKPBSA-N 1 0 388.552 4.143 20 0 GIADRO CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccccc1Cn1ccnc1 ZINC000572065947 823277076 /nfs/dbraw/zinc/27/70/76/823277076.db2.gz IQVURNSKWUPUJK-OAQYLSRUSA-N 1 0 397.906 4.305 20 0 GIADRO C[C@H]1C[C@H](NC(=O)c2ccc(Cl)nc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000176723072 823277345 /nfs/dbraw/zinc/27/73/45/823277345.db2.gz YQLBLVKGOKVHES-DZGCQCFKSA-N 1 0 378.303 4.171 20 0 GIADRO Cc1ccc(C[C@H]([NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)c2ccccn2)cc1 ZINC000121921667 823277464 /nfs/dbraw/zinc/27/74/64/823277464.db2.gz UJRBGUPJCGYBMV-MBSDFSHPSA-N 1 0 394.540 4.428 20 0 GIADRO O=C(c1ccc(OC(F)F)c(F)c1)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000460028212 823280732 /nfs/dbraw/zinc/28/07/32/823280732.db2.gz RCASBYSFWLNXPM-HNNXBMFYSA-N 1 0 376.378 4.052 20 0 GIADRO COc1cccc(Oc2ncccc2C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000121940791 823281342 /nfs/dbraw/zinc/28/13/42/823281342.db2.gz DFJSTWYYOHAESE-NJYVYQBISA-N 1 0 380.488 4.320 20 0 GIADRO CCN(CC)C(=O)C1CC[NH+](Cc2c(-c3ccccc3)nc3sccn23)CC1 ZINC000006419884 817689346 /nfs/dbraw/zinc/68/93/46/817689346.db2.gz LLEYHKATATWTGN-UHFFFAOYSA-N 1 0 396.560 4.143 20 0 GIADRO Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000121945048 823282305 /nfs/dbraw/zinc/28/23/05/823282305.db2.gz KUKVTLANHMRSLD-KRWDZBQOSA-N 1 0 380.602 4.399 20 0 GIADRO Cc1ccccc1[C@@H]1CN(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CCO1 ZINC000572102114 823283545 /nfs/dbraw/zinc/28/35/45/823283545.db2.gz QUZZBLFSXUAKDG-SFHVURJKSA-N 1 0 393.409 4.078 20 0 GIADRO CCCc1ccc([C@@H](NC(=S)NCCC[NH+](C)C)c2cccs2)cc1 ZINC000007027682 817739717 /nfs/dbraw/zinc/73/97/17/817739717.db2.gz DDVZLKXBZYWKOW-LJQANCHMSA-N 1 0 375.607 4.206 20 0 GIADRO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@](C)(O)C1CCCCC1 ZINC000188675936 823284420 /nfs/dbraw/zinc/28/44/20/823284420.db2.gz PETQQGHWKVSGIU-LIRRHRJNSA-N 1 0 386.458 4.343 20 0 GIADRO COCCC1(C)CN(C(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC000460103112 823284860 /nfs/dbraw/zinc/28/48/60/823284860.db2.gz HZZVNRPSMRRLNF-UHFFFAOYSA-N 1 0 387.568 4.019 20 0 GIADRO C[NH2+]CCC1CCN(C(=O)c2cc3c(C)nn(-c4ccccc4C)c3s2)CC1 ZINC000572119717 823286051 /nfs/dbraw/zinc/28/60/51/823286051.db2.gz RXPCYHMMCVOFCF-UHFFFAOYSA-N 1 0 396.560 4.166 20 0 GIADRO Cc1ccc(-c2cnc(-c3ccccc3C(=O)N[C@@H]3C[NH2+]CCC3(F)F)o2)cc1 ZINC000572121980 823286466 /nfs/dbraw/zinc/28/64/66/823286466.db2.gz MIQUOOQQFQEQAG-LJQANCHMSA-N 1 0 397.425 4.044 20 0 GIADRO Cc1nc(-c2ccccc2F)sc1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000572124771 823286649 /nfs/dbraw/zinc/28/66/49/823286649.db2.gz DDEYPEJLUKFHBW-UHFFFAOYSA-N 1 0 375.513 4.250 20 0 GIADRO CC(C)(C)c1cc([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc(C(C)(C)C)c1O ZINC000007126713 817767553 /nfs/dbraw/zinc/76/75/53/817767553.db2.gz MLLCFURKCZOMCI-IBGZPJMESA-N 1 0 391.519 4.433 20 0 GIADRO Cc1ccc(-c2c[nH]cc2C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)s1 ZINC000188715017 823291354 /nfs/dbraw/zinc/29/13/54/823291354.db2.gz DOYAUJYZTPPGAE-UHFFFAOYSA-N 1 0 396.516 4.194 20 0 GIADRO Cc1cc(C[NH2+]Cc2ccc(C(=O)N(C)C)[nH]2)ccc1Oc1ccc(F)cc1 ZINC000176766478 823287526 /nfs/dbraw/zinc/28/75/26/823287526.db2.gz ONOALLDYOFWMAF-UHFFFAOYSA-N 1 0 381.451 4.246 20 0 GIADRO O=C(c1ccc(CSc2ccccc2)cc1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000572155281 823291407 /nfs/dbraw/zinc/29/14/07/823291407.db2.gz DAVGKGQGRAYZNY-RTWAWAEBSA-N 1 0 380.557 4.441 20 0 GIADRO CSc1cccc(NC(=O)N2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000176768378 823288467 /nfs/dbraw/zinc/28/84/67/823288467.db2.gz TTZLONHPYAJKLZ-IRXDYDNUSA-N 1 0 391.581 4.152 20 0 GIADRO C[C@H](CNC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)c1ccc(F)cc1 ZINC000460122066 823288699 /nfs/dbraw/zinc/28/86/99/823288699.db2.gz WTLZLUIEAOKRIH-QIJUGHKUSA-N 1 0 395.522 4.093 20 0 GIADRO Cc1cc(Cl)ccc1NC(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000176771337 823289484 /nfs/dbraw/zinc/28/94/84/823289484.db2.gz MUMSQJDTBAVGRK-IRXDYDNUSA-N 1 0 393.959 4.392 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2OC)cc1OCC ZINC000007266825 817808006 /nfs/dbraw/zinc/80/80/06/817808006.db2.gz LXAOOPXEHPHENA-JKSUJKDBSA-N 1 0 386.492 4.170 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N2CCc3ccccc32)cc1OCC ZINC000007266834 817808052 /nfs/dbraw/zinc/80/80/52/817808052.db2.gz NYBZDZAJENJOLA-SJORKVTESA-N 1 0 382.504 4.112 20 0 GIADRO C[C@@H](Nc1ccc([NH+]2CCCCCC2)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000007286193 817811022 /nfs/dbraw/zinc/81/10/22/817811022.db2.gz GXUUNJHTKFCCRY-MRXNPFEDSA-N 1 0 382.464 4.414 20 0 GIADRO C[C@@H](Nc1ccc([NH+]2CCCCCC2)cc1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000007286168 817811216 /nfs/dbraw/zinc/81/12/16/817811216.db2.gz SVHMCRIWKWEGDS-QGZVFWFLSA-N 1 0 395.503 4.277 20 0 GIADRO COc1cc([C@H](C)[NH2+]CCc2ccccc2OC(F)F)cc(OC)c1OC ZINC000188715223 823291684 /nfs/dbraw/zinc/29/16/84/823291684.db2.gz KZRIRLZMHVIJHO-ZDUSSCGKSA-N 1 0 381.419 4.207 20 0 GIADRO CSc1cccc(F)c1CNC(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000572144973 823290116 /nfs/dbraw/zinc/29/01/16/823290116.db2.gz MHMZMLNGUHQPCS-UHFFFAOYSA-N 1 0 390.549 4.026 20 0 GIADRO CCOc1ccc(NC(=O)N(CC)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1F ZINC000460130581 823290803 /nfs/dbraw/zinc/29/08/03/823290803.db2.gz VWIQVAGFAIQEPU-IBGZPJMESA-N 1 0 385.483 4.353 20 0 GIADRO Cc1nc(CC(C)C)oc1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1C ZINC000188712137 823291004 /nfs/dbraw/zinc/29/10/04/823291004.db2.gz MAPFAEDHCQAXII-UHFFFAOYSA-N 1 0 387.549 4.291 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CCc2ccccc2OC(F)F)cc1NC(C)=O ZINC000188716602 823291925 /nfs/dbraw/zinc/29/19/25/823291925.db2.gz IVXNVPUWUSNOFP-ZDUSSCGKSA-N 1 0 378.419 4.148 20 0 GIADRO Cc1ccc2nc(C3CC3)cc(C(=O)N(CC[NH+](C)C)Cc3ccccn3)c2c1 ZINC000176786292 823292238 /nfs/dbraw/zinc/29/22/38/823292238.db2.gz JRGANFLUFADZSC-UHFFFAOYSA-N 1 0 388.515 4.020 20 0 GIADRO COc1ccc(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)cc1-c1ccccn1 ZINC000122007134 823292347 /nfs/dbraw/zinc/29/23/47/823292347.db2.gz LBKXEWGLIFJQJK-QFIPXVFZSA-N 1 0 389.499 4.098 20 0 GIADRO Cc1noc(-c2ccccc2)c1NC(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000460135822 823292558 /nfs/dbraw/zinc/29/25/58/823292558.db2.gz WONSXGVHIWDCNY-LJQANCHMSA-N 1 0 378.476 4.383 20 0 GIADRO C[N@@H+]1CCC[C@H]2CN(c3ccnc4c(Br)ccc(F)c34)CC[C@@H]21 ZINC000409731291 823293129 /nfs/dbraw/zinc/29/31/29/823293129.db2.gz YSLZLOBLVUTZCK-WFASDCNBSA-N 1 0 378.289 4.057 20 0 GIADRO O=C(CSc1ccc(F)cc1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000007492159 817854192 /nfs/dbraw/zinc/85/41/92/817854192.db2.gz UTTLKMXAGYWMMS-UHFFFAOYSA-N 1 0 392.927 4.352 20 0 GIADRO CC[N@H+](Cc1cc(Br)c2c(c1)OCCO2)[C@@H](C)c1cccnc1 ZINC000572167080 823293434 /nfs/dbraw/zinc/29/34/34/823293434.db2.gz PEIIDQWHLPMENH-ZDUSSCGKSA-N 1 0 377.282 4.198 20 0 GIADRO C[C@@H]([NH2+]CCC(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)cc1 ZINC000007539251 817864219 /nfs/dbraw/zinc/86/42/19/817864219.db2.gz SHEXCMYSQXUGRZ-OAHLLOKOSA-N 1 0 385.895 4.146 20 0 GIADRO CCCC[C@H](C)N(C)C(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000460140652 823294839 /nfs/dbraw/zinc/29/48/39/823294839.db2.gz BXRJMOISZGYZCP-SFHVURJKSA-N 1 0 375.557 4.127 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(Br)o2)cc1Cn1cccn1 ZINC000188736899 823295194 /nfs/dbraw/zinc/29/51/94/823295194.db2.gz TXZMFUYJAUWARU-CYBMUJFWSA-N 1 0 390.281 4.146 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)CCCc2nc3ccccc3s2)cc1F ZINC000122031875 823296456 /nfs/dbraw/zinc/29/64/56/823296456.db2.gz YQJBGAINEOTITL-UHFFFAOYSA-N 1 0 385.508 4.136 20 0 GIADRO C[C@H]([NH2+]CC1(c2ccc(Cl)cc2)CCOCC1)c1ccccc1-n1ccnn1 ZINC000572191355 823297290 /nfs/dbraw/zinc/29/72/90/823297290.db2.gz PWTKGNNNDSHVLI-KRWDZBQOSA-N 1 0 396.922 4.320 20 0 GIADRO COc1c(Br)cccc1C[NH2+]Cc1ccc(-n2ccnc2)c(F)c1 ZINC000176805729 823297374 /nfs/dbraw/zinc/29/73/74/823297374.db2.gz QTBKOJUNSGXPJB-UHFFFAOYSA-N 1 0 390.256 4.072 20 0 GIADRO CCOc1ccc(NC(=O)c2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)cc1 ZINC000007782034 817914636 /nfs/dbraw/zinc/91/46/36/817914636.db2.gz QDLVTENZNFBJJQ-UHFFFAOYSA-N 1 0 395.503 4.152 20 0 GIADRO CCCc1ccc([C@H]([NH2+][C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)C(C)C)cc1 ZINC000007851635 817938492 /nfs/dbraw/zinc/93/84/92/817938492.db2.gz LYBFJWDWWWNLRR-IIBYNOLFSA-N 1 0 381.520 4.052 20 0 GIADRO CN(Cc1ccccn1)C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000057481840 823302581 /nfs/dbraw/zinc/30/25/81/823302581.db2.gz MHOOLCZQKBIYSS-UHFFFAOYSA-N 1 0 388.515 4.152 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2Cl)cc1Br ZINC000007879194 817947819 /nfs/dbraw/zinc/94/78/19/817947819.db2.gz IYCCPDXLSWQDGF-LLVKDONJSA-N 1 0 397.700 4.400 20 0 GIADRO CCCC[C@@H](C)N(C)C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000460164063 823302832 /nfs/dbraw/zinc/30/28/32/823302832.db2.gz CIFNZPLGMNHEPV-QRVBRYPASA-N 1 0 375.557 4.016 20 0 GIADRO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000122048943 823298804 /nfs/dbraw/zinc/29/88/04/823298804.db2.gz JINHZXJOJRFUOR-KGLIPLIRSA-N 1 0 387.423 4.098 20 0 GIADRO CCN(C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1)[C@H]1CCOC(C)(C)C1 ZINC000460153107 823299104 /nfs/dbraw/zinc/29/91/04/823299104.db2.gz WNQIUEVGSBDTSE-SFTDATJTSA-N 1 0 387.568 4.121 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1oc2ccccc2c1COC ZINC000007946246 817967075 /nfs/dbraw/zinc/96/70/75/817967075.db2.gz SPUXSBAPWZYZPM-UHFFFAOYSA-N 1 0 380.488 4.351 20 0 GIADRO O=C(N[C@@H](c1c(Cl)cccc1Cl)C1CC1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000572227344 823304457 /nfs/dbraw/zinc/30/44/57/823304457.db2.gz PZDVCDAJNJZFLJ-KYZVSKTDSA-N 1 0 382.335 4.132 20 0 GIADRO CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@H]1CC[C@H](O)C1 ZINC000188801335 823308667 /nfs/dbraw/zinc/30/86/67/823308667.db2.gz VXSMUNKSIFVTPQ-KSSFIOAISA-N 1 0 392.341 4.009 20 0 GIADRO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000008201632 818016905 /nfs/dbraw/zinc/01/69/05/818016905.db2.gz COZNADFXMNGJRS-IXDOHACOSA-N 1 0 385.577 4.369 20 0 GIADRO O=C(C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)N1CCc2ccccc2C1 ZINC000008261867 818025320 /nfs/dbraw/zinc/02/53/20/818025320.db2.gz AUQOFSPVALUNGJ-LJQANCHMSA-N 1 0 391.540 4.061 20 0 GIADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1ccc2nc(C)oc2c1 ZINC000176837312 823305895 /nfs/dbraw/zinc/30/58/95/823305895.db2.gz BIXUQCHDPJZFJC-LJQANCHMSA-N 1 0 393.491 4.050 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCCc4occc4C3)cc2)C1 ZINC000460174874 823305950 /nfs/dbraw/zinc/30/59/50/823305950.db2.gz QSGJULNJCQQHHN-GOSISDBHSA-N 1 0 381.520 4.170 20 0 GIADRO Cc1ccccc1Cc1nnc(CN2CCC(CCC[NH+]3CCCC3)CC2)o1 ZINC000122100849 823306452 /nfs/dbraw/zinc/30/64/52/823306452.db2.gz PZIWIHLPWZHIQG-UHFFFAOYSA-N 1 0 382.552 4.057 20 0 GIADRO C[C@H]([NH2+]CC(c1ccccc1)c1ccccc1)C(=O)NC(=O)Nc1ccccc1 ZINC000011046996 818047824 /nfs/dbraw/zinc/04/78/24/818047824.db2.gz VBAIAMXOAIGMCP-SFHVURJKSA-N 1 0 387.483 4.145 20 0 GIADRO COc1ccccc1N1CC[C@@H]([NH2+]C2(c3cccc(C(F)(F)F)c3)CC2)C1=O ZINC000572252396 823307903 /nfs/dbraw/zinc/30/79/03/823307903.db2.gz CHEJTEVGRVQTEY-MRXNPFEDSA-N 1 0 390.405 4.098 20 0 GIADRO Cc1ccc([C@H](OC[C@@H](O)C[NH2+]C(C)(C)c2nccs2)c2ccccc2)cc1 ZINC000122112333 823307992 /nfs/dbraw/zinc/30/79/92/823307992.db2.gz LHHDDEUTXYHWBV-LEWJYISDSA-N 1 0 396.556 4.443 20 0 GIADRO O=C([C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000409814438 823314711 /nfs/dbraw/zinc/31/47/11/823314711.db2.gz XEALZSCPODRFNL-XLIONFOSSA-N 1 0 394.918 4.034 20 0 GIADRO O=C(N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000188831521 823314717 /nfs/dbraw/zinc/31/47/17/823314717.db2.gz YMHIQMDAWZCCFM-HNAYVOBHSA-N 1 0 392.465 4.212 20 0 GIADRO CC(C)(C)c1ccc(CCNc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)cc1 ZINC000572295338 823315268 /nfs/dbraw/zinc/31/52/68/823315268.db2.gz GENKFKSVHZPFNU-UHFFFAOYSA-N 1 0 393.575 4.336 20 0 GIADRO Cc1ccc(-n2cc(C[NH2+][C@H](C)CC[S@](C)=O)c(-c3ccc(F)cc3)n2)cc1 ZINC000572264648 823309790 /nfs/dbraw/zinc/30/97/90/823309790.db2.gz ZDLJCXJVDREOIE-UULLZXFKSA-N 1 0 399.535 4.234 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2csc(-c3ccc(Cl)s3)n2)[C@H](C)C1 ZINC000122125354 823310023 /nfs/dbraw/zinc/31/00/23/823310023.db2.gz IECHWPOVOWXKEO-DGCLKSJQSA-N 1 0 383.970 4.327 20 0 GIADRO C[C@@H](C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1)c1cccc(F)c1 ZINC000176852895 823310178 /nfs/dbraw/zinc/31/01/78/823310178.db2.gz SRJMQBUOGRFOEN-LJQANCHMSA-N 1 0 398.522 4.117 20 0 GIADRO CC[NH+](CC)[C@H](C)CNC(=O)NCc1ccc(-c2nc3ccccc3s2)o1 ZINC000057570731 823310671 /nfs/dbraw/zinc/31/06/71/823310671.db2.gz QSDRAKPRKDYPHA-CQSZACIVSA-N 1 0 386.521 4.086 20 0 GIADRO CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000460201109 823315012 /nfs/dbraw/zinc/31/50/12/823315012.db2.gz HVTMYUBMDPDNDX-IHPCNDPISA-N 1 0 399.583 4.364 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)NC1CCC2(CCCCC2)CC1 ZINC000188817358 823312469 /nfs/dbraw/zinc/31/24/69/823312469.db2.gz YILKDXQGSHTOFU-UHFFFAOYSA-N 1 0 384.568 4.238 20 0 GIADRO C[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@H+](C)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000122146480 823312800 /nfs/dbraw/zinc/31/28/00/823312800.db2.gz MVOOUPPHMZALSR-VKJFTORMSA-N 1 0 383.458 4.140 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@@H]1CCSc2ccccc21 ZINC000460196329 823312751 /nfs/dbraw/zinc/31/27/51/823312751.db2.gz WJDHEGAFNFLHFF-GHTZIAJQSA-N 1 0 380.557 4.389 20 0 GIADRO Cc1ccc(NC(=O)[C@H](C)Oc2ccc(C(F)(F)F)cc2)c(C[NH+](C)C)c1 ZINC000188821189 823313267 /nfs/dbraw/zinc/31/32/67/823313267.db2.gz NTKJNRQQHOSQCD-AWEZNQCLSA-N 1 0 380.410 4.481 20 0 GIADRO COc1ccc(C[N@H+](CC(=O)Nc2cc(C)ccc2OC)[C@H](C)C2CC2)cc1 ZINC000057601477 823313629 /nfs/dbraw/zinc/31/36/29/823313629.db2.gz KUVKCNDDPUBNEJ-QGZVFWFLSA-N 1 0 382.504 4.251 20 0 GIADRO Cc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@@H]2CC[C@H](O)C2)cc1 ZINC000188827603 823314114 /nfs/dbraw/zinc/31/41/14/823314114.db2.gz RLZMAKDEHDFVEJ-OFNKIYASSA-N 1 0 375.516 4.157 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000572261508 823309167 /nfs/dbraw/zinc/30/91/67/823309167.db2.gz KMNRFWORPOGNPQ-VGOFRKELSA-N 1 0 398.576 4.273 20 0 GIADRO C[NH+](C)CC1(C(=O)NCC2(c3ccccc3Cl)CCOCC2)CCCCC1 ZINC000460203078 823315719 /nfs/dbraw/zinc/31/57/19/823315719.db2.gz QKDAHDGOFXYWDC-UHFFFAOYSA-N 1 0 392.971 4.017 20 0 GIADRO Cc1cc(NCc2cccc(NC(=O)[C@H]3CCCO3)c2)c2cc(F)ccc2[nH+]1 ZINC000122169556 823316020 /nfs/dbraw/zinc/31/60/20/823316020.db2.gz UGDLSCSTOGMJKV-OAQYLSRUSA-N 1 0 379.435 4.412 20 0 GIADRO O=C(Nc1ccccc1OCC(F)(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000572300740 823316363 /nfs/dbraw/zinc/31/63/63/823316363.db2.gz KORUFCGHCUZVPD-INIZCTEOSA-N 1 0 378.394 4.088 20 0 GIADRO C[NH+](C)CC1(C(=O)Nc2ccccc2NC(=O)C[C@H]2C=CCC2)CCCCC1 ZINC000460205077 823316528 /nfs/dbraw/zinc/31/65/28/823316528.db2.gz OZXANKAQGSKLBG-SFHVURJKSA-N 1 0 383.536 4.432 20 0 GIADRO COc1ccc(NC(=O)C2(C[NH+](C)C)CCCCC2)cc1OCc1cccnc1 ZINC000460216747 823320430 /nfs/dbraw/zinc/32/04/30/823320430.db2.gz WKLQIIMZDYZYOX-UHFFFAOYSA-N 1 0 397.519 4.120 20 0 GIADRO C[C@H]([NH2+]C(C)(C)CNC(=O)N(C)Cc1ccccc1N(C)C)c1ccccc1 ZINC000460209963 823317982 /nfs/dbraw/zinc/31/79/82/823317982.db2.gz JENPRUHZIXWKSV-SFHVURJKSA-N 1 0 382.552 4.023 20 0 GIADRO CCn1c(Cc2cccc3ccccc32)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000460213325 823319076 /nfs/dbraw/zinc/31/90/76/823319076.db2.gz UXQJLGKBAJZECP-GCJKJVERSA-N 1 0 391.563 4.209 20 0 GIADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000460237671 823326770 /nfs/dbraw/zinc/32/67/70/823326770.db2.gz VLFHHSBSQWCPDW-CYBMUJFWSA-N 1 0 375.847 4.280 20 0 GIADRO CC1=CC[N@H+](CCNC(=O)N2CCc3sccc3[C@@H]2c2cccs2)CC1 ZINC000460219096 823321223 /nfs/dbraw/zinc/32/12/23/823321223.db2.gz XFXIRQYXRBNVNU-LJQANCHMSA-N 1 0 387.574 4.119 20 0 GIADRO CC1(C)[C@H]([NH2+]CC(=O)Nc2ccccc2Sc2ccccc2)[C@@H]2CCO[C@@H]21 ZINC000572353442 823326171 /nfs/dbraw/zinc/32/61/71/823326171.db2.gz FZJMZEFWHIGYEU-DQLDELGASA-N 1 0 382.529 4.179 20 0 GIADRO Cc1ccc2nc(C[N@@H+]3CCC[C@@H](c4nc(-c5ccc(F)cc5)no4)C3)cn2c1 ZINC000176909685 823322243 /nfs/dbraw/zinc/32/22/43/823322243.db2.gz DUTOFQRJJSTKKJ-QGZVFWFLSA-N 1 0 391.450 4.211 20 0 GIADRO Cc1ccc(-c2nc3c(s2)[C@H]([NH2+]Cc2cccc(C(N)=O)c2)CCC3)cc1 ZINC000122215612 823322649 /nfs/dbraw/zinc/32/26/49/823322649.db2.gz NYLYHWRDZUBVTN-GOSISDBHSA-N 1 0 377.513 4.385 20 0 GIADRO C[C@H](CNC(=O)c1ccccc1CSc1nc2ccccc2o1)[N@H+](C)C1CC1 ZINC000057711320 823323826 /nfs/dbraw/zinc/32/38/26/823323826.db2.gz PHTUCNQBWNAMDE-OAHLLOKOSA-N 1 0 395.528 4.333 20 0 GIADRO CC(C)n1cnc(C(=O)N(CC[N@H+](C)Cc2ccccc2)Cc2ccccc2)c1 ZINC000409845903 823323824 /nfs/dbraw/zinc/32/38/24/823323824.db2.gz SPEKWYSKVLOQBS-UHFFFAOYSA-N 1 0 390.531 4.238 20 0 GIADRO CS(=O)(=O)c1ccc(F)c(C[NH2+][C@@H](Cc2ccccc2)c2ccccc2)c1 ZINC000409847308 823324100 /nfs/dbraw/zinc/32/41/00/823324100.db2.gz WVHCMDNEKDESJG-QFIPXVFZSA-N 1 0 383.488 4.303 20 0 GIADRO CC[C@@H](C)c1nnc(N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)n1CC ZINC000460229714 823324250 /nfs/dbraw/zinc/32/42/50/823324250.db2.gz ABJSJEUDMSZIAX-MRXNPFEDSA-N 1 0 375.948 4.177 20 0 GIADRO CCOc1ccc(-c2nc(C)c(C(=O)Nc3cc(C[NH+](C)C)ccn3)s2)cc1 ZINC000176919662 823324338 /nfs/dbraw/zinc/32/43/38/823324338.db2.gz QWXXWQUGCDSOKO-UHFFFAOYSA-N 1 0 396.516 4.226 20 0 GIADRO C[NH+](C)CC1CCC(NC(=O)C(Cc2ccccc2)Cc2ccccc2)CC1 ZINC000409851822 823326516 /nfs/dbraw/zinc/32/65/16/823326516.db2.gz AILJIXRWLIWABQ-UHFFFAOYSA-N 1 0 378.560 4.325 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(Oc3cccnc3)c(C)c2)C1 ZINC000176923303 823325124 /nfs/dbraw/zinc/32/51/24/823325124.db2.gz RQUAFCPVKYGQRK-GOSISDBHSA-N 1 0 382.508 4.378 20 0 GIADRO C[NH+](C)CCN(Cc1ccco1)C(=O)N[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000176925054 823325375 /nfs/dbraw/zinc/32/53/75/823325375.db2.gz LGUWFEUVVPOTFZ-QFIPXVFZSA-N 1 0 395.478 4.282 20 0 GIADRO O=C(Nc1ccccc1O)C1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000015045114 818286061 /nfs/dbraw/zinc/28/60/61/818286061.db2.gz XZUYUCMVEOEWLB-UHFFFAOYSA-N 1 0 378.394 4.262 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(NC(=O)OCC(C)C)c2)C1 ZINC000176924215 823325533 /nfs/dbraw/zinc/32/55/33/823325533.db2.gz TYXAEXDEGAOYSR-KRWDZBQOSA-N 1 0 390.528 4.087 20 0 GIADRO CCC(CC)(CNC(=O)NCc1ccc2cc[nH]c2n1)[NH2+][C@H](C)c1ccccc1 ZINC000460237202 823326664 /nfs/dbraw/zinc/32/66/64/823326664.db2.gz VAFJWJFGWLFFCP-QGZVFWFLSA-N 1 0 393.535 4.272 20 0 GIADRO CC(C)c1c(C(=O)NCc2ccc(C[NH+](C)C)cc2)cnn1-c1ccc(F)cc1 ZINC000122235685 823325929 /nfs/dbraw/zinc/32/59/29/823325929.db2.gz PXWYNYCRCVFMBE-UHFFFAOYSA-N 1 0 394.494 4.126 20 0 GIADRO CC1(C)[C@H]([NH2+]CC(=O)Nc2ccccc2Sc2ccccc2)[C@@H]2CCO[C@H]21 ZINC000572353445 823325941 /nfs/dbraw/zinc/32/59/41/823325941.db2.gz FZJMZEFWHIGYEU-ZLGUVYLKSA-N 1 0 382.529 4.179 20 0 GIADRO CCC[C@]1(CO)CCN(C(=O)NCC(CC)(CC)[NH2+][C@H](C)c2ccccc2)C1 ZINC000460237252 823326857 /nfs/dbraw/zinc/32/68/57/823326857.db2.gz VGJDMWHIECKKNL-KNQAVFIVSA-N 1 0 389.584 4.090 20 0 GIADRO C[NH+](C)CCCNCc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 ZINC000015183989 818297630 /nfs/dbraw/zinc/29/76/30/818297630.db2.gz MRQAXNKCEKIECD-UHFFFAOYSA-N 1 0 388.515 4.386 20 0 GIADRO Cc1c(NC(=O)NC2CC[NH+](C3CCC3)CC2)cccc1OCC(F)(F)F ZINC000572357598 823326970 /nfs/dbraw/zinc/32/69/70/823326970.db2.gz JFXGTFIZEKEPJA-UHFFFAOYSA-N 1 0 385.430 4.075 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(NC(=O)c3ccco3)c(C)c2)C1 ZINC000176930883 823327254 /nfs/dbraw/zinc/32/72/54/823327254.db2.gz VTLNQZVAJCZDHB-QGZVFWFLSA-N 1 0 398.507 4.036 20 0 GIADRO FC(F)(F)C1CC([NH2+]C2CCN(Cc3ccccc3Br)CC2)C1 ZINC000572390377 823331972 /nfs/dbraw/zinc/33/19/72/823331972.db2.gz DAAWUILSWWCJPR-UHFFFAOYSA-N 1 0 391.275 4.344 20 0 GIADRO COCCOc1ccc(C(F)(F)F)cc1NC(=O)C[NH2+][C@@H](C)c1ccccc1 ZINC000122280809 823332031 /nfs/dbraw/zinc/33/20/31/823332031.db2.gz LHHHIFUNIWRVLX-AWEZNQCLSA-N 1 0 396.409 4.020 20 0 GIADRO C[N@H+](CCCNC(=O)Nc1ccc(F)cc1Br)C1CCCCC1 ZINC000057757856 823329213 /nfs/dbraw/zinc/32/92/13/823329213.db2.gz OZFGHDKZJNWWQA-UHFFFAOYSA-N 1 0 386.309 4.364 20 0 GIADRO CSc1ccsc1C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000409864156 823329586 /nfs/dbraw/zinc/32/95/86/823329586.db2.gz KLTRDCDVKFJNDX-UHFFFAOYSA-N 1 0 387.574 4.254 20 0 GIADRO CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](Cc2cc(Cl)nc3ccccc23)C1 ZINC000188928098 823329617 /nfs/dbraw/zinc/32/96/17/823329617.db2.gz LPBXEAHESJEVFK-CQSZACIVSA-N 1 0 375.900 4.235 20 0 GIADRO O=C(NC1CC(c2ccccc2)C1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000460246843 823329861 /nfs/dbraw/zinc/32/98/61/823329861.db2.gz KXZJCPBYTMDCGM-RVGROTJQSA-N 1 0 389.543 4.096 20 0 GIADRO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2cc(Cl)ccc2F)CC1 ZINC000015610105 818347356 /nfs/dbraw/zinc/34/73/56/818347356.db2.gz AKNQOXKFCXUNNJ-UHFFFAOYSA-N 1 0 382.266 4.137 20 0 GIADRO O=C(Nc1ccc(Cl)cc1OC(F)F)N1CCC([NH+]2CCCCC2)CC1 ZINC000460255869 823332214 /nfs/dbraw/zinc/33/22/14/823332214.db2.gz IJSYROXCJNBDPT-UHFFFAOYSA-N 1 0 387.858 4.424 20 0 GIADRO CSC1(CNC(=O)NC2(c3ccc(Cl)cc3)CCCC2)CC[NH+](C)CC1 ZINC000460250784 823330913 /nfs/dbraw/zinc/33/09/13/823330913.db2.gz ASVBDMQONAFTHV-UHFFFAOYSA-N 1 0 396.000 4.236 20 0 GIADRO Cc1ccc2[nH]c([C@H]3CCCN3C(=O)NC[C@H](c3cccs3)[NH+](C)C)nc2c1 ZINC000057774271 823331090 /nfs/dbraw/zinc/33/10/90/823331090.db2.gz JOGMHYDAADKOMU-QZTJIDSGSA-N 1 0 397.548 4.082 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc3oc(C(F)(F)F)nc3c2)C1 ZINC000176944799 823331214 /nfs/dbraw/zinc/33/12/14/823331214.db2.gz ZUBUNCSSYZWUOH-LBPRGKRZSA-N 1 0 384.402 4.042 20 0 GIADRO Cc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@H]2CC[C@H](c3ccccc3)O2)cc1 ZINC000572400636 823332983 /nfs/dbraw/zinc/33/29/83/823332983.db2.gz SFACRVAHDSYBLY-DNVJHFABSA-N 1 0 376.504 4.228 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1csc(-c2ccc(F)cc2)n1 ZINC000016102250 818393228 /nfs/dbraw/zinc/39/32/28/818393228.db2.gz LKJMCEGPOOBFJE-UHFFFAOYSA-N 1 0 395.503 4.475 20 0 GIADRO COc1ccc(-c2cncc(C(=O)N3C[C@H]4CCC[N@@H+]4Cc4ccccc43)c2)cc1 ZINC000122303154 823334801 /nfs/dbraw/zinc/33/48/01/823334801.db2.gz DJVXQYGRZXJQBI-JOCHJYFZSA-N 1 0 399.494 4.382 20 0 GIADRO COc1cccc([C@H](CNC(=S)Nc2ccc(C)c(C)c2)[NH+]2CCCC2)c1 ZINC000016244949 818410244 /nfs/dbraw/zinc/41/02/44/818410244.db2.gz QIFNFUOIVJGDPM-NRFANRHFSA-N 1 0 383.561 4.436 20 0 GIADRO COc1ccc([C@@H](CNC(=S)Nc2ccc(C)cc2C)[NH+]2CCCC2)cc1 ZINC000016315649 818421780 /nfs/dbraw/zinc/42/17/80/818421780.db2.gz JLDHSLAVOYKOHJ-OAQYLSRUSA-N 1 0 383.561 4.436 20 0 GIADRO COc1ccc([C@H](CNC(=S)Nc2cccc(Cl)c2)[NH+]2CCCC2)cc1 ZINC000016315660 818421885 /nfs/dbraw/zinc/42/18/85/818421885.db2.gz PEBLBGPGFTXKRK-IBGZPJMESA-N 1 0 389.952 4.472 20 0 GIADRO C[NH+](C)CCCC1CCN(C(=O)c2c[nH]nc2-c2cc3ccccc3o2)CC1 ZINC000188971012 823335983 /nfs/dbraw/zinc/33/59/83/823335983.db2.gz JCCZDBXBSHLMDU-UHFFFAOYSA-N 1 0 380.492 4.017 20 0 GIADRO Cc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1F ZINC000016402401 818436206 /nfs/dbraw/zinc/43/62/06/818436206.db2.gz LIRHIYHTQLJVOB-KRWDZBQOSA-N 1 0 398.478 4.304 20 0 GIADRO CCc1ccccc1NC(=O)COC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000016402241 818436241 /nfs/dbraw/zinc/43/62/41/818436241.db2.gz XMDYVZRSEIMYJM-UHFFFAOYSA-N 1 0 380.488 4.030 20 0 GIADRO C[C@@H](NC(=O)c1ccccc1NC(=O)C[N@H+](C)C1CCCCC1)c1ccccc1 ZINC000016445578 818443742 /nfs/dbraw/zinc/44/37/42/818443742.db2.gz KKBWQJXGSCRURC-GOSISDBHSA-N 1 0 393.531 4.381 20 0 GIADRO C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccc([C@H]2C[C@H]2C)o1)[N@@H+]1CCc2ccccc2C1 ZINC000409890360 823336948 /nfs/dbraw/zinc/33/69/48/823336948.db2.gz HIETUYFVDGCPBN-QFIDOLFYSA-N 1 0 378.516 4.070 20 0 GIADRO O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)c1cc(Cl)ccc1Cl ZINC000188975052 823336900 /nfs/dbraw/zinc/33/69/00/823336900.db2.gz JZTTXBNDWNAZLS-SJCJKPOMSA-N 1 0 385.241 4.147 20 0 GIADRO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CC2(CCC2)[C@@H]1C1CC1 ZINC000460278413 823337860 /nfs/dbraw/zinc/33/78/60/823337860.db2.gz VRSOHKNRZVQNAG-KBRMVUAJSA-N 1 0 379.548 4.156 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000016599679 818459020 /nfs/dbraw/zinc/45/90/20/818459020.db2.gz HDEPTACCSVRRSF-GOSISDBHSA-N 1 0 383.492 4.290 20 0 GIADRO CC[NH+]1C[C@@H](C)N(C(=O)c2ccc(Oc3ccc(C(C)=O)cc3)cc2)[C@H](C)C1 ZINC000572441011 823339571 /nfs/dbraw/zinc/33/95/71/823339571.db2.gz VQWPHSFPOZBZJD-IAGOWNOFSA-N 1 0 380.488 4.236 20 0 GIADRO Cc1cc(NC(=O)C2CC[NH+](CCCSc3ccccc3Cl)CC2)no1 ZINC000057873436 823343483 /nfs/dbraw/zinc/34/34/83/823343483.db2.gz IJFLYGKZZNEOFQ-UHFFFAOYSA-N 1 0 393.940 4.469 20 0 GIADRO CC[C@@H](C(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)c1ccc(F)cc1 ZINC000122340914 823340870 /nfs/dbraw/zinc/34/08/70/823340870.db2.gz URSJSOHJIJJSKW-CTNGQTDRSA-N 1 0 396.506 4.424 20 0 GIADRO CC1CC[NH+]([C@H](CNC(=O)N2CCc3ccccc3C2)c2cccs2)CC1 ZINC000017126513 818500753 /nfs/dbraw/zinc/50/07/53/818500753.db2.gz MAWQMYILTVDXDX-HXUWFJFHSA-N 1 0 383.561 4.289 20 0 GIADRO Cn1c2ccc(C(=O)Nc3cccc(CC[N@H+](C)C4CC4)c3)cc2nc1C(F)F ZINC000409907068 823341084 /nfs/dbraw/zinc/34/10/84/823341084.db2.gz QAZMRONUOKPMNL-UHFFFAOYSA-N 1 0 398.457 4.400 20 0 GIADRO COc1ccc(C(NC(=O)C[N@H+](C)C2CCCCC2)c2ccc(OC)cc2)cc1 ZINC000017283385 818505385 /nfs/dbraw/zinc/50/53/85/818505385.db2.gz ZDMYIIMLUGBSDQ-UHFFFAOYSA-N 1 0 396.531 4.174 20 0 GIADRO COc1ccc(C(=O)Nc2cccc(C[NH2+]Cc3ccccc3OC)c2)cc1 ZINC000017310951 818507721 /nfs/dbraw/zinc/50/77/21/818507721.db2.gz QWZZWSMEIZHLRO-UHFFFAOYSA-N 1 0 376.456 4.246 20 0 GIADRO COc1ccc(CC[NH2+]Cc2c(C)nn(Cc3ccc(F)cc3)c2Cl)cc1 ZINC000017310426 818507788 /nfs/dbraw/zinc/50/77/88/818507788.db2.gz KDJVPOJDAGCTKE-UHFFFAOYSA-N 1 0 387.886 4.373 20 0 GIADRO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000017311776 818507813 /nfs/dbraw/zinc/50/78/13/818507813.db2.gz ZNYPJOHMAFXZDJ-MRXNPFEDSA-N 1 0 377.488 4.170 20 0 GIADRO Cc1nc(-c2cccs2)sc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000017371321 818514144 /nfs/dbraw/zinc/51/41/44/818514144.db2.gz VBWSBPQDPOTZSA-UHFFFAOYSA-N 1 0 398.557 4.184 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=S)Nc1cccc(OC)c1)c1cccc(OC)c1 ZINC000017516652 818518003 /nfs/dbraw/zinc/51/80/03/818518003.db2.gz CFIIHXQHGNSZGB-HXUWFJFHSA-N 1 0 387.549 4.073 20 0 GIADRO COCc1cc([C@H](C)[NH2+]C2CCN(c3ccc(N(C)C)cc3)CC2)ccc1OC ZINC000122347793 823341963 /nfs/dbraw/zinc/34/19/63/823341963.db2.gz MKBHYFBIVHQVNH-SFHVURJKSA-N 1 0 397.563 4.227 20 0 GIADRO Cc1cc(C)n(-c2ccc(C[NH2+]Cc3ccc(F)nc3)c(C(F)(F)F)c2)n1 ZINC000189011328 823342043 /nfs/dbraw/zinc/34/20/43/823342043.db2.gz ACDXJEANEUUEEM-UHFFFAOYSA-N 1 0 378.373 4.332 20 0 GIADRO COc1cccc([C@H](CNC(=O)Cc2coc3c2ccc(C)c3C)[NH+](C)C)c1 ZINC000017794906 818527624 /nfs/dbraw/zinc/52/76/24/818527624.db2.gz DKUPRMZVGOLOND-NRFANRHFSA-N 1 0 380.488 4.020 20 0 GIADRO CCn1c(=S)n(CN2CC[NH+](C3CCC(C(C)C)CC3)CC2)nc1C1CC1 ZINC000176989780 823343772 /nfs/dbraw/zinc/34/37/72/823343772.db2.gz QVZYFRNGKAJAKU-UHFFFAOYSA-N 1 0 391.629 4.101 20 0 GIADRO COc1ccc([C@@H](CNC(=O)c2cc3ccccc3s2)[NH+]2CCCC2)cc1 ZINC000017911718 818532787 /nfs/dbraw/zinc/53/27/87/818532787.db2.gz SXEWWEHTFNTYOG-LJQANCHMSA-N 1 0 380.513 4.477 20 0 GIADRO COc1ccc([C@H](CNC(=O)C2(c3ccc(Cl)cc3)CC2)[NH+]2CCCC2)cc1 ZINC000017911329 818532882 /nfs/dbraw/zinc/53/28/82/818532882.db2.gz FSPJJTKOVJHPKV-NRFANRHFSA-N 1 0 398.934 4.334 20 0 GIADRO C[C@H](NC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C)c1cccc(OCc2ccccn2)c1 ZINC000122364610 823344441 /nfs/dbraw/zinc/34/44/41/823344441.db2.gz ICWKTSLTWQOOFJ-VJANTYMQSA-N 1 0 381.520 4.099 20 0 GIADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2noc(-c3ccc(F)cc3F)n2)C1 ZINC000189030339 823344795 /nfs/dbraw/zinc/34/47/95/823344795.db2.gz UWHFPPAHIDXFDQ-JKSUJKDBSA-N 1 0 390.478 4.101 20 0 GIADRO Cc1nc2ccc(NC(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)cc2o1 ZINC000176993454 823345140 /nfs/dbraw/zinc/34/51/40/823345140.db2.gz UXMFJRRAKORSKG-DNVCBOLYSA-N 1 0 378.476 4.311 20 0 GIADRO C[NH+](C)[C@@H](CNC(=S)Nc1ccc(OC(F)(F)F)cc1)c1cccs1 ZINC000018142774 818550405 /nfs/dbraw/zinc/55/04/05/818550405.db2.gz APOZUSQAKHUHJL-ZDUSSCGKSA-N 1 0 389.468 4.236 20 0 GIADRO Cc1ccc(NC(=O)[C@@H](C)N2CCC(C[NH+]3CCCCCC3)CC2)c(F)c1 ZINC000057889420 823345347 /nfs/dbraw/zinc/34/53/47/823345347.db2.gz AVVCQXRJLDIEKZ-GOSISDBHSA-N 1 0 375.532 4.049 20 0 GIADRO C[C@H](NC(=O)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000572466926 823345479 /nfs/dbraw/zinc/34/54/79/823345479.db2.gz WEJFAAGVCPAKIE-JSSFPYSZSA-N 1 0 383.458 4.029 20 0 GIADRO CC[N@H+](CCC1CCN(C(=O)COc2ccsc2Cl)CC1)CC(C)C ZINC000572468925 823345921 /nfs/dbraw/zinc/34/59/21/823345921.db2.gz UVHZDSMIGVEQBN-UHFFFAOYSA-N 1 0 386.989 4.387 20 0 GIADRO CCN(c1nnc(-c2ccoc2)n1CC)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000460304068 823346696 /nfs/dbraw/zinc/34/66/96/823346696.db2.gz ODTXLXHCGDHPCE-FXAWDEMLSA-N 1 0 379.508 4.220 20 0 GIADRO O=C(c1ccccc1F)N1CCC([NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000189041160 823346668 /nfs/dbraw/zinc/34/66/68/823346668.db2.gz WECALYSQGMSWII-PZJWPPBQSA-N 1 0 380.507 4.431 20 0 GIADRO FC(F)(F)c1csc([C@H]2CCC[N@H+](CCCO[C@H]3CCCCO3)C2)n1 ZINC000572499782 823349858 /nfs/dbraw/zinc/34/98/58/823349858.db2.gz DFKIFNRXYIWMKK-ZFWWWQNUSA-N 1 0 378.460 4.275 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)c2csc(C(F)(F)F)n2)cc1Cl ZINC000189041793 823346930 /nfs/dbraw/zinc/34/69/30/823346930.db2.gz FHWYXWRIQDXDLK-UHFFFAOYSA-N 1 0 393.818 4.008 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(NC(=O)C2CCC2)c1)c1cccc(N2CCOC2=O)c1 ZINC000122402805 823349574 /nfs/dbraw/zinc/34/95/74/823349574.db2.gz TVEGBFOHXMWBSX-MRXNPFEDSA-N 1 0 393.487 4.233 20 0 GIADRO CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000460309052 823348070 /nfs/dbraw/zinc/34/80/70/823348070.db2.gz SMDVZOXKTMQNFE-UKRRQHHQSA-N 1 0 394.350 4.335 20 0 GIADRO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2c(OC(F)F)ccc3ccccc32)N1 ZINC000019355914 818591395 /nfs/dbraw/zinc/59/13/95/818591395.db2.gz JPUZKHIRUSZRPX-KRWDZBQOSA-N 1 0 379.370 4.078 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[NH+]1CCC(C)(C2CC2)CC1 ZINC000572489845 823348429 /nfs/dbraw/zinc/34/84/29/823348429.db2.gz GOBWHOGTAJFDMZ-SFHVURJKSA-N 1 0 380.536 4.328 20 0 GIADRO C[NH+](C)CCCC1CCN(C(=O)NC[C@@H](c2ccccc2)C(F)(F)F)CC1 ZINC000189049657 823348588 /nfs/dbraw/zinc/34/85/88/823348588.db2.gz BFHHBAUDQZUESK-SFHVURJKSA-N 1 0 385.474 4.096 20 0 GIADRO c1c(C[NH2+]CCCOC2CCCC2)c(-c2cccnc2)nn1Cc1ccccc1 ZINC000057972622 823351653 /nfs/dbraw/zinc/35/16/53/823351653.db2.gz UIROWNLAHPUMTM-UHFFFAOYSA-N 1 0 390.531 4.432 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)C(=O)NCCC1=CCCCC1)C1CCCCC1 ZINC000057968982 823351758 /nfs/dbraw/zinc/35/17/58/823351758.db2.gz IYJGIFUBMFUPDP-UHFFFAOYSA-N 1 0 397.563 4.396 20 0 GIADRO COCCCOc1cccc(C[NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)c1 ZINC000572522022 823353309 /nfs/dbraw/zinc/35/33/09/823353309.db2.gz ZMPBNXXQSKTZND-QHCPKHFHSA-N 1 0 394.559 4.389 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(-c3ccccc3)nn2C(C)C)C1 ZINC000177034152 823355544 /nfs/dbraw/zinc/35/55/44/823355544.db2.gz CYZDHYSEJXSGIN-SFHVURJKSA-N 1 0 383.540 4.327 20 0 GIADRO O=C(NCc1cnc(-c2ccc(Cl)cc2)s1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000572525150 823354144 /nfs/dbraw/zinc/35/41/44/823354144.db2.gz GIOWPNOPPVQJGA-XYPHTWIQSA-N 1 0 375.925 4.000 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O)c1cccc(-c2ccncc2)c1 ZINC000189059515 823350203 /nfs/dbraw/zinc/35/02/03/823350203.db2.gz OFNPDSZGNFAXCI-HXOBKFHXSA-N 1 0 389.474 4.339 20 0 GIADRO CC[C@@H](NC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)c1c(C)noc1C ZINC000122442096 823355120 /nfs/dbraw/zinc/35/51/20/823355120.db2.gz SISLWLAWTNRRFM-HXUWFJFHSA-N 1 0 384.524 4.015 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)c2cnc3onc(C(C)C)c3c2)cc1 ZINC000021409824 818684698 /nfs/dbraw/zinc/68/46/98/818684698.db2.gz QGDFWVMASWONLB-UHFFFAOYSA-N 1 0 380.492 4.118 20 0 GIADRO CCCC[C@H]1CCC[C@@H]1[NH2+]Cc1nnc(C(=O)NCc2ccc(F)cc2)s1 ZINC000460351874 823361207 /nfs/dbraw/zinc/36/12/07/823361207.db2.gz ZQRXZQVJBKCNIL-RDJZCZTQSA-N 1 0 390.528 4.056 20 0 GIADRO COc1ccc(NC(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1OC1CCCC1 ZINC000058089885 823361279 /nfs/dbraw/zinc/36/12/79/823361279.db2.gz OYJMWOPTZMWSDZ-IAGOWNOFSA-N 1 0 389.540 4.259 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)N2C[C@H](C)CN(C)c3ccccc32)cc1)C1CC1 ZINC000460340548 823358361 /nfs/dbraw/zinc/35/83/61/823358361.db2.gz UIHQTDNIOBDYPQ-GOSISDBHSA-N 1 0 377.532 4.404 20 0 GIADRO C[C@H](c1ccccc1)N1CCC([NH2+][C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000122466775 823358611 /nfs/dbraw/zinc/35/86/11/823358611.db2.gz QCIRORNFRBNCOW-UIFIKXQLSA-N 1 0 387.568 4.247 20 0 GIADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C2(c3cc(F)cc(C(F)(F)F)c3)CC2)C1 ZINC000189107000 823358791 /nfs/dbraw/zinc/35/87/91/823358791.db2.gz WABCKPUGHCPFRF-AWEZNQCLSA-N 1 0 386.433 4.113 20 0 GIADRO C[NH+](C)CC1CCC(NC(=O)C(C)(C)c2csc(-c3cccs3)n2)CC1 ZINC000409979126 823360865 /nfs/dbraw/zinc/36/08/65/823360865.db2.gz JTSVODSZWQMYJX-UHFFFAOYSA-N 1 0 391.606 4.386 20 0 GIADRO O=C(CC[NH+]1CCN(Cc2ccc(Cl)cc2)CC1)Nc1ccccc1Cl ZINC000022194332 818781550 /nfs/dbraw/zinc/78/15/50/818781550.db2.gz LZFLJKUFTSUKHD-UHFFFAOYSA-N 1 0 392.330 4.140 20 0 GIADRO CSc1ccccc1NC(=O)CC[N@H+](C)CCOc1ccc(Cl)cc1 ZINC000022198899 818782038 /nfs/dbraw/zinc/78/20/38/818782038.db2.gz YOPZETZQCQPNKW-UHFFFAOYSA-N 1 0 378.925 4.401 20 0 GIADRO O=C(Nc1nc(CN2CCCCC2)cs1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000022290275 818790629 /nfs/dbraw/zinc/79/06/29/818790629.db2.gz BKGIXGNXGHFTDD-UHFFFAOYSA-N 1 0 398.576 4.367 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2ccccc2NCc2cccnc2)C1 ZINC000177070128 823364351 /nfs/dbraw/zinc/36/43/51/823364351.db2.gz PGKRTTUGWABRRR-BGYRXZFFSA-N 1 0 394.563 4.182 20 0 GIADRO CC(C)[C@@H]1C[C@H](CNC(=O)Nc2cccc(-c3ncc4n3CCCC4)c2)CCO1 ZINC000572596829 823367203 /nfs/dbraw/zinc/36/72/03/823367203.db2.gz LJKLYFLYHLZXES-UTKZUKDTSA-N 1 0 396.535 4.459 20 0 GIADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cc(Cl)ccc2SCC)[C@H](C)C1 ZINC000177073098 823364486 /nfs/dbraw/zinc/36/44/86/823364486.db2.gz YTRXTXDVSOKEOF-CRAIPNDOSA-N 1 0 399.000 4.319 20 0 GIADRO COc1ccc(CN(C)C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1F ZINC000022429132 818806023 /nfs/dbraw/zinc/80/60/23/818806023.db2.gz QHGBCTOOSYIYJP-UHFFFAOYSA-N 1 0 399.510 4.162 20 0 GIADRO C[C@H]1C[C@H](NC(=O)Nc2cc(F)c(F)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000177084857 823367289 /nfs/dbraw/zinc/36/72/89/823367289.db2.gz ZDCKTOKVLGNZPN-DZGCQCFKSA-N 1 0 377.410 4.279 20 0 GIADRO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(-c3nc4ccccc4s3)s2)C1 ZINC000409993755 823365428 /nfs/dbraw/zinc/36/54/28/823365428.db2.gz QKPPNYZFRIHUSY-CQSZACIVSA-N 1 0 385.558 4.487 20 0 GIADRO O[C@H](COc1ccc(Oc2ccccc2)cc1)C[N@@H+]1CCc2sccc2C1 ZINC000022549885 818824112 /nfs/dbraw/zinc/82/41/12/818824112.db2.gz YONFYPRJDLFKBD-SFHVURJKSA-N 1 0 381.497 4.338 20 0 GIADRO C[NH+](C)CC1CCN(c2ccc(NC(=O)C3(Cc4ccccc4)CC3)cc2)CC1 ZINC000177086162 823367510 /nfs/dbraw/zinc/36/75/10/823367510.db2.gz JQIRRDWLXUEKPB-UHFFFAOYSA-N 1 0 391.559 4.426 20 0 GIADRO Cc1nc(-c2ccccc2)sc1C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000022609271 818832624 /nfs/dbraw/zinc/83/26/24/818832624.db2.gz OUGUDNLBYGTXHF-IBGZPJMESA-N 1 0 379.529 4.021 20 0 GIADRO Cc1nc(-c2ccccc2)sc1C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000022609308 818832720 /nfs/dbraw/zinc/83/27/20/818832720.db2.gz YGJJSTDCZDAUSJ-GOSISDBHSA-N 1 0 383.492 4.290 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1ccc(NC(=O)c2cccs2)cc1)c1cccs1 ZINC000022646197 818836833 /nfs/dbraw/zinc/83/68/33/818836833.db2.gz CKJGYDTWOQBDSS-MRXNPFEDSA-N 1 0 399.541 4.095 20 0 GIADRO CCc1ccc(CCC(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCC2)cc1 ZINC000022680040 818842363 /nfs/dbraw/zinc/84/23/63/818842363.db2.gz NEJPAMJMESOVBB-QFIPXVFZSA-N 1 0 380.532 4.144 20 0 GIADRO CC(C)(C)c1cc[n+](C(C(=O)c2cc(F)ccc2F)C(=S)NC2CC2)cc1 ZINC000022688462 818844413 /nfs/dbraw/zinc/84/44/13/818844413.db2.gz HVVGUVOWRABUFG-UHFFFAOYSA-O 1 0 389.491 4.241 20 0 GIADRO COc1ccc2c(c1F)CC[C@@H]2[NH2+]Cc1cccc(COC2CCOCC2)c1 ZINC000572639589 823373074 /nfs/dbraw/zinc/37/30/74/823373074.db2.gz NTDMAHUSWXCISJ-NRFANRHFSA-N 1 0 385.479 4.307 20 0 GIADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCc1csc(-c2ccccc2)n1 ZINC000572637708 823373085 /nfs/dbraw/zinc/37/30/85/823373085.db2.gz SVFNDSKVBRETDR-QGZVFWFLSA-N 1 0 394.544 4.130 20 0 GIADRO C[C@@H](NC(=O)C[N@H+](C)[C@@H]1CCc2ccccc21)c1ccc(Br)cc1 ZINC000022761294 818857075 /nfs/dbraw/zinc/85/70/75/818857075.db2.gz DRLMJXJBASUGSQ-AUUYWEPGSA-N 1 0 387.321 4.246 20 0 GIADRO COc1cc(C[NH2+]CCc2ccc(F)cc2)ccc1OCc1c(C)noc1C ZINC000022771594 818859024 /nfs/dbraw/zinc/85/90/24/818859024.db2.gz YFDKNACARKDFPO-UHFFFAOYSA-N 1 0 384.451 4.350 20 0 GIADRO COc1cc(C[NH2+]C2CCN(C3CC3)CC2)ccc1OCc1ccc(F)cc1 ZINC000022820195 818864155 /nfs/dbraw/zinc/86/41/55/818864155.db2.gz CYWAWDFPYRTZEF-UHFFFAOYSA-N 1 0 384.495 4.130 20 0 GIADRO CC[NH+](CC)CCOc1ccc(NC(=O)NC(C)(C)c2ncc(C)s2)cc1 ZINC000177091991 823369181 /nfs/dbraw/zinc/36/91/81/823369181.db2.gz JBXXGRFUMLVPAF-UHFFFAOYSA-N 1 0 390.553 4.229 20 0 GIADRO C[NH+]1CCN(Cc2cccc(NC(=O)c3ccc(-c4ccccc4)cc3)c2)CC1 ZINC000022873515 818869096 /nfs/dbraw/zinc/86/90/96/818869096.db2.gz PKVWDKCDSGFCGI-UHFFFAOYSA-N 1 0 385.511 4.353 20 0 GIADRO COc1ccccc1SCC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000122542029 823369560 /nfs/dbraw/zinc/36/95/60/823369560.db2.gz PUYKAJRUEYELLH-ICSRJNTNSA-N 1 0 398.572 4.299 20 0 GIADRO C[N@H+](Cc1ccccc1N[C@@H]1CCN(CC(F)(F)F)C1=O)C1CCCCC1 ZINC000177095288 823370098 /nfs/dbraw/zinc/37/00/98/823370098.db2.gz RLLGMJZNFOKFQB-GOSISDBHSA-N 1 0 383.458 4.026 20 0 GIADRO COc1ccc(NC(=O)[C@@H](C)[NH2+]C(c2ccccc2)c2ccccc2)cc1OC ZINC000058271976 823373374 /nfs/dbraw/zinc/37/33/74/823373374.db2.gz BBWLAIQSHYOFQQ-QGZVFWFLSA-N 1 0 390.483 4.410 20 0 GIADRO O[C@H](C[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1)c1ccc2ccccc2c1 ZINC000189180891 823371264 /nfs/dbraw/zinc/37/12/64/823371264.db2.gz UOJVNLVLBDBWMF-HSZRJFAPSA-N 1 0 375.447 4.047 20 0 GIADRO CCS[C@H]1CC[C@H](N(C)C(=O)NCc2ccccc2C[N@H+](C)C(C)C)C1 ZINC000122554692 823371675 /nfs/dbraw/zinc/37/16/75/823371675.db2.gz LMZVUUNNKKXFCB-PMACEKPBSA-N 1 0 377.598 4.342 20 0 GIADRO COc1cccc(OC)c1OCCCCN1CC[NH+](C2CCC(C)CC2)CC1 ZINC000572639845 823373504 /nfs/dbraw/zinc/37/35/04/823373504.db2.gz WYPHVEZTXFFTAP-UHFFFAOYSA-N 1 0 390.568 4.059 20 0 GIADRO CCCOc1c(Cl)cc(C(=O)N(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)cc1OCC ZINC000122558206 823372432 /nfs/dbraw/zinc/37/24/32/823372432.db2.gz IXWBRLSAEFIXTK-YJBOKZPZSA-N 1 0 396.959 4.330 20 0 GIADRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+]Cc3cc4ccccc4s3)cc2)C[C@H](C)O1 ZINC000177105307 823372743 /nfs/dbraw/zinc/37/27/43/823372743.db2.gz YQKOROXCGCNYIC-CALCHBBNSA-N 1 0 394.540 4.441 20 0 GIADRO COc1ccc(C[N@@H+]2CCCN(C(=O)c3cc4c(cc(C)cc4C)[nH]3)CC2)cc1 ZINC000023245773 818916716 /nfs/dbraw/zinc/91/67/16/818916716.db2.gz NSFBZTFCSJPMQU-UHFFFAOYSA-N 1 0 391.515 4.141 20 0 GIADRO CC[C@@H]([NH2+]CCC(=O)N1CCc2ccccc2C1)c1nc(C(F)(F)F)cs1 ZINC000189187431 823372832 /nfs/dbraw/zinc/37/28/32/823372832.db2.gz ZZRVPXPHFWXHST-OAHLLOKOSA-N 1 0 397.466 4.178 20 0 GIADRO C[NH+](C)CCCOC1CCN(C(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000177107030 823372965 /nfs/dbraw/zinc/37/29/65/823372965.db2.gz LFOGPIMKOOUODV-IRXDYDNUSA-N 1 0 399.362 4.056 20 0 GIADRO CC[N@@H+]1CCC[C@H](CNC(=O)CCC(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000058276071 823373996 /nfs/dbraw/zinc/37/39/96/823373996.db2.gz WPYXXZSLZGWTPX-LJQANCHMSA-N 1 0 378.516 4.165 20 0 GIADRO CC(C)[C@@H]([NH2+]CC1CCC(c2ccccc2)CC1)c1nc(-c2nc[nH]n2)no1 ZINC000189200280 823374525 /nfs/dbraw/zinc/37/45/25/823374525.db2.gz SZCGAUCQQBFHMQ-VMWRSERWSA-N 1 0 380.496 4.115 20 0 GIADRO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000023391166 818932995 /nfs/dbraw/zinc/93/29/95/818932995.db2.gz GAXTXJRTUDCISW-MRXNPFEDSA-N 1 0 387.474 4.463 20 0 GIADRO CC(=O)c1ccc(OC[C@H](O)C[NH2+][C@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000023409623 818935660 /nfs/dbraw/zinc/93/56/60/818935660.db2.gz OAHPKBOLOFRQPZ-MLGOLLRUSA-N 1 0 382.287 4.287 20 0 GIADRO COc1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c(Cl)c1OC ZINC000572647098 823374839 /nfs/dbraw/zinc/37/48/39/823374839.db2.gz ZWLKIQXHACNAHR-QRVBRYPASA-N 1 0 387.907 4.362 20 0 GIADRO C[NH+](C)CCN(C(=O)Cc1csc(Cc2ccc(F)cc2)n1)c1ccccc1 ZINC000058296701 823375883 /nfs/dbraw/zinc/37/58/83/823375883.db2.gz ZFDLWAOIXMFPOF-UHFFFAOYSA-N 1 0 397.519 4.010 20 0 GIADRO Cc1cc(C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)c(Cl)cc1F ZINC000177120417 823376099 /nfs/dbraw/zinc/37/60/99/823376099.db2.gz MZRQDNLOJLLSJW-UHFFFAOYSA-N 1 0 375.875 4.182 20 0 GIADRO Brc1ccc(OCc2ccccn2)c(C[NH2+]Cc2cccnc2)c1 ZINC000023623342 818966650 /nfs/dbraw/zinc/96/66/50/818966650.db2.gz KVIKHKYISIPOJY-UHFFFAOYSA-N 1 0 384.277 4.108 20 0 GIADRO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000023676559 818972545 /nfs/dbraw/zinc/97/25/45/818972545.db2.gz LLHUAVIWRYPCFH-JXFKEZNVSA-N 1 0 393.483 4.142 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1)c1ccccn1 ZINC000023675559 818972599 /nfs/dbraw/zinc/97/25/99/818972599.db2.gz WTHNXQFSBBVJDA-IIBYNOLFSA-N 1 0 398.453 4.178 20 0 GIADRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccc(F)cc1Br ZINC000023739867 818977943 /nfs/dbraw/zinc/97/79/43/818977943.db2.gz PCHOWWSXIIKIKI-SFHVURJKSA-N 1 0 391.284 4.155 20 0 GIADRO CC(=O)Nc1ccc2c(C[NH+]3CCC(Cc4ccccc4)CC3)cc(=O)oc2c1 ZINC000023750928 818979158 /nfs/dbraw/zinc/97/91/58/818979158.db2.gz HMCYNQQTEDBABG-UHFFFAOYSA-N 1 0 390.483 4.206 20 0 GIADRO Cc1noc(C2CCC([NH2+]C[C@H](c3cccc(Cl)c3)N3CCCC3)CC2)n1 ZINC000572672489 823379892 /nfs/dbraw/zinc/37/98/92/823379892.db2.gz MVNJNQUTDFBHQX-RRWXTXHCSA-N 1 0 388.943 4.484 20 0 GIADRO CC(C)c1nnc(N2CCC[C@@H]([NH+]3CCCC3)CC2)n1CCc1ccccc1 ZINC000460422147 823383965 /nfs/dbraw/zinc/38/39/65/823383965.db2.gz QHGVBWSDDKGYNJ-OAQYLSRUSA-N 1 0 381.568 4.099 20 0 GIADRO Cc1sc([C@H](C)NC(=O)NC[C@@H]2CCC[N@@H+]2C)nc1-c1ccc(Cl)cc1 ZINC000122611409 823381155 /nfs/dbraw/zinc/38/11/55/823381155.db2.gz LFUMUIBLEDIRPL-LRDDRELGSA-N 1 0 392.956 4.226 20 0 GIADRO CC[C@@H]([NH2+]CC(=O)Nc1cc(OC)c(OC)c(OC)c1)c1ccc(Cl)cc1 ZINC000024253042 819039617 /nfs/dbraw/zinc/03/96/17/819039617.db2.gz HUFWRCOLYUUWGS-MRXNPFEDSA-N 1 0 392.883 4.045 20 0 GIADRO CC(=O)Nc1ccc(C)c(C(=O)Nc2ccc(C[NH+]3CCSCC3)cc2C)c1 ZINC000189269437 823384051 /nfs/dbraw/zinc/38/40/51/823384051.db2.gz AZCZIEPFHIJGIK-UHFFFAOYSA-N 1 0 397.544 4.063 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)Cc2nc(-c3cccs3)oc2C)cc1 ZINC000024486313 819063239 /nfs/dbraw/zinc/06/32/39/819063239.db2.gz REMIYPBCZVLIFS-UHFFFAOYSA-N 1 0 397.544 4.412 20 0 GIADRO CCCN(CCC[NH+](C)C)C(=O)c1ccc(C)c(NC(=O)Nc2ccccc2)c1 ZINC000189270146 823384296 /nfs/dbraw/zinc/38/42/96/823384296.db2.gz PFKKYSLCXWVSLE-UHFFFAOYSA-N 1 0 396.535 4.443 20 0 GIADRO Cc1cccc(NC(=O)NCC(=O)Nc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)c1 ZINC000058366541 823383513 /nfs/dbraw/zinc/38/35/13/823383513.db2.gz LMPJWVVEZLNFDT-GOSISDBHSA-N 1 0 394.519 4.130 20 0 GIADRO CCCN(CCC[NH+](C)C)C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000189266493 823383617 /nfs/dbraw/zinc/38/36/17/823383617.db2.gz MRWSTQPINOHNGH-UHFFFAOYSA-N 1 0 382.508 4.135 20 0 GIADRO CCOC1CC(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000189266449 823383634 /nfs/dbraw/zinc/38/36/34/823383634.db2.gz BHMRDKOLUCORMV-VWAQSERHSA-N 1 0 380.573 4.349 20 0 GIADRO CN(C)C(=O)Sc1ccc(C[N@H+](CCc2ccccc2)[C@H]2CCOC2)cc1 ZINC000177150559 823383731 /nfs/dbraw/zinc/38/37/31/823383731.db2.gz PZDNOFYDLPKQQN-FQEVSTJZSA-N 1 0 384.545 4.294 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1c[nH]c(=S)n1-c1ccccc1 ZINC000058323350 823378923 /nfs/dbraw/zinc/37/89/23/823378923.db2.gz CFCLSKOZSWGDLG-KRWDZBQOSA-N 1 0 396.516 4.085 20 0 GIADRO CC(=O)Nc1ccc(C[NH2+][C@H](C)[C@@H](OC2CCOCC2)c2ccccc2)cc1 ZINC000122629961 823384680 /nfs/dbraw/zinc/38/46/80/823384680.db2.gz IQIOYLSQTJUNAY-UZUQRXQVSA-N 1 0 382.504 4.060 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cnc4ccccc4c3O)cc2)C1 ZINC000058395442 823385412 /nfs/dbraw/zinc/38/54/12/823385412.db2.gz IUKSWGJAGFSZSV-MRXNPFEDSA-N 1 0 375.472 4.012 20 0 GIADRO CC[C@@H](C)[N@H+](CC(=O)NCC1(c2ccccc2)CCOCC1)Cc1ccccc1 ZINC000058395969 823385445 /nfs/dbraw/zinc/38/54/45/823385445.db2.gz RAKYIXOZBQOFLF-OAQYLSRUSA-N 1 0 394.559 4.152 20 0 GIADRO CCCN(CCC[NH+](C)C)C(=O)c1ccc(C)c(NC(=O)c2ccccc2F)c1 ZINC000189277457 823385576 /nfs/dbraw/zinc/38/55/76/823385576.db2.gz WYFBMMFYSHENSF-UHFFFAOYSA-N 1 0 399.510 4.190 20 0 GIADRO Cc1ccc2cc(C[NH2+]Cc3cccc(CN4CCO[C@@H](C)C4)c3)ccc2n1 ZINC000189281464 823386152 /nfs/dbraw/zinc/38/61/52/823386152.db2.gz YYFMQPDNBKKZBN-IBGZPJMESA-N 1 0 375.516 4.054 20 0 GIADRO Cn1nccc1[C@@H]1C[C@H]([NH2+]Cc2ccc(Oc3ccc(F)cc3)cc2)CCO1 ZINC000572710706 823387031 /nfs/dbraw/zinc/38/70/31/823387031.db2.gz WWPMZACALKPLBH-GCJKJVERSA-N 1 0 381.451 4.361 20 0 GIADRO C[NH+](C)Cc1cc(-c2noc(-c3cncnc3-c3ccccc3)n2)ccc1F ZINC000572709812 823387048 /nfs/dbraw/zinc/38/70/48/823387048.db2.gz SQPMHSAISABTHK-UHFFFAOYSA-N 1 0 375.407 4.061 20 0 GIADRO CCc1noc(-c2ccc(C)c(NC(=O)NCCC[NH2+]C3CCCCC3)c2)n1 ZINC000177161370 823387177 /nfs/dbraw/zinc/38/71/77/823387177.db2.gz ZXIDNVHAPYBCJO-UHFFFAOYSA-N 1 0 385.512 4.041 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@H](C)CCc1cccn1C ZINC000122649141 823387815 /nfs/dbraw/zinc/38/78/15/823387815.db2.gz LJNMYKKGUJDAAN-HUUCEWRRSA-N 1 0 377.916 4.015 20 0 GIADRO C[NH+](C)CCOc1ccccc1C(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000460437323 823389272 /nfs/dbraw/zinc/38/92/72/823389272.db2.gz LGRWLSAUIVLPNJ-UHFFFAOYSA-N 1 0 386.467 4.340 20 0 GIADRO COc1ccc(CCCCC(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cc1 ZINC000572713796 823387785 /nfs/dbraw/zinc/38/77/85/823387785.db2.gz FFMKJZYLVWTYLJ-NZQKXSOJSA-N 1 0 398.522 4.057 20 0 GIADRO C[C@H](CCc1cccn1C)[NH2+][C@@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000122651169 823388223 /nfs/dbraw/zinc/38/82/23/823388223.db2.gz RQSTXXIXMXSDIJ-SJORKVTESA-N 1 0 375.944 4.026 20 0 GIADRO COc1ccc(OC)c(C[NH2+][C@H](C)[C@@H](OC2CCOCC2)c2ccccc2)c1 ZINC000122682806 823393828 /nfs/dbraw/zinc/39/38/28/823393828.db2.gz DFHPDAFIVTXLNS-UZUQRXQVSA-N 1 0 385.504 4.119 20 0 GIADRO C[C@H](CSc1nnc(COc2ccccc2F)n1-c1ccccc1)[NH+](C)C ZINC000460448190 823392802 /nfs/dbraw/zinc/39/28/02/823392802.db2.gz KWGHKRSPMPBRGW-OAHLLOKOSA-N 1 0 386.496 4.028 20 0 GIADRO COc1cccc([C@@H](CNC(=O)Nc2ccc3nc(C4CC4)oc3c2)[NH+](C)C)c1 ZINC000177181940 823393219 /nfs/dbraw/zinc/39/32/19/823393219.db2.gz RWXPUXGUUHQZMY-LJQANCHMSA-N 1 0 394.475 4.138 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1)C(=O)NCc1ccc(F)cc1 ZINC000122681284 823393416 /nfs/dbraw/zinc/39/34/16/823393416.db2.gz YQYUDUULEGFADA-UONOGXRCSA-N 1 0 398.400 4.122 20 0 GIADRO CN(C)C[C@H]([NH2+]C1CCC2(CC1)C(=O)Nc1ccccc12)c1ccc(Cl)cc1 ZINC000572738620 823390921 /nfs/dbraw/zinc/39/09/21/823390921.db2.gz NMPPKMJPCWQNRL-STDCAVTESA-N 1 0 397.950 4.365 20 0 GIADRO CC(C)C[NH+]1CCC(NC(=O)C2(Cc3ccc(OC(F)(F)F)cc3)CC2)CC1 ZINC000189306155 823391197 /nfs/dbraw/zinc/39/11/97/823391197.db2.gz MKFMNIQKWLDUAZ-UHFFFAOYSA-N 1 0 398.469 4.145 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)c2nnc(-c3ccoc3)n2CCc2ccccc2)C[C@H]1C ZINC000460453314 823394283 /nfs/dbraw/zinc/39/42/83/823394283.db2.gz ILZWTCLJEXDPHK-WIYYLYMNSA-N 1 0 393.535 4.090 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000177187364 823394755 /nfs/dbraw/zinc/39/47/55/823394755.db2.gz LSPZFJJPJYFPCD-VQTJNVASSA-N 1 0 398.576 4.178 20 0 GIADRO CC[C@H](C)c1nnc(N2CCC[C@H]([NH+]3CCCC3)CC2)n1CCc1ccccc1 ZINC000460455805 823395461 /nfs/dbraw/zinc/39/54/61/823395461.db2.gz ZUQWYBCMSJTCSR-UNMCSNQZSA-N 1 0 395.595 4.489 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)N2C[C@@H](C)O[C@@H](c3ccccc3)C2)c1 ZINC000410117465 823395793 /nfs/dbraw/zinc/39/57/93/823395793.db2.gz JAOULRGFBWWMHJ-AUSIDOKSSA-N 1 0 395.547 4.200 20 0 GIADRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(OCC(F)(F)F)cc2)cc1 ZINC000122692196 823395776 /nfs/dbraw/zinc/39/57/76/823395776.db2.gz XEZIKKISSSESSN-ZIAGYGMSSA-N 1 0 396.409 4.314 20 0 GIADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)CCc2ccccc2OC(F)(F)F)C1 ZINC000410116755 823395801 /nfs/dbraw/zinc/39/58/01/823395801.db2.gz COTRSRFHBFQVKZ-JZXOWHBKSA-N 1 0 398.469 4.382 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1ccnc(Cl)c1 ZINC000122696926 823396479 /nfs/dbraw/zinc/39/64/79/823396479.db2.gz WHVGJOBXOPKKCS-BLLLJJGKSA-N 1 0 395.837 4.183 20 0 GIADRO O=S(=O)(c1ccc2ccccc2c1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000058473287 823396803 /nfs/dbraw/zinc/39/68/03/823396803.db2.gz RBJAKWGLNDHTLJ-UHFFFAOYSA-N 1 0 386.561 4.117 20 0 GIADRO COc1cc(C)c(C[NH2+][C@@H](C)[C@H](OC2CCOCC2)c2ccccc2)cc1OC ZINC000122711457 823398787 /nfs/dbraw/zinc/39/87/87/823398787.db2.gz AHKKRKDMJWUKAM-UUOWRZLLSA-N 1 0 399.531 4.427 20 0 GIADRO Cc1nc(CSc2ccc(C(=O)N[C@H]3C[C@@H](C)[N@@H+](C4CC4)C3)cc2)cs1 ZINC000177199616 823397449 /nfs/dbraw/zinc/39/74/49/823397449.db2.gz ZCSCUZKQGWTKNX-CJNGLKHVSA-N 1 0 387.574 4.099 20 0 GIADRO O=C(COc1ccc2ccccc2c1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000058477123 823397537 /nfs/dbraw/zinc/39/75/37/823397537.db2.gz ZCGGTBDBLDZPEY-UHFFFAOYSA-N 1 0 380.532 4.333 20 0 GIADRO C[C@H]([NH2+]C1(CNC(=O)Nc2ccsc2Cl)CCOCC1)c1ccccc1 ZINC000189344836 823398290 /nfs/dbraw/zinc/39/82/90/823398290.db2.gz QBGLLDXIHIMCAY-AWEZNQCLSA-N 1 0 393.940 4.423 20 0 GIADRO Cc1oc2nc(SC[C@H](C)[NH+](C)C)nc(NC(=O)c3ccccc3)c2c1C ZINC000460463005 823398347 /nfs/dbraw/zinc/39/83/47/823398347.db2.gz YCAUEGKJVAKADM-LBPRGKRZSA-N 1 0 384.505 4.134 20 0 GIADRO C[C@@H](NC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccc(C(F)(F)F)cc1 ZINC000410137753 823399845 /nfs/dbraw/zinc/39/98/45/823399845.db2.gz XTTYRIKGIXGIQD-KDOFPFPSSA-N 1 0 379.426 4.369 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)C1(c2cccc(Cl)c2)CCCC1 ZINC000058497404 823400412 /nfs/dbraw/zinc/40/04/12/823400412.db2.gz RNTSBSDROISFJS-UHFFFAOYSA-N 1 0 397.950 4.328 20 0 GIADRO CCC[C@@]1(CO)CC[N@@H+]([C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000572797828 823400593 /nfs/dbraw/zinc/40/05/93/823400593.db2.gz IELIYOWXVWZXQF-WZONZLPQSA-N 1 0 382.504 4.290 20 0 GIADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)NCc2ccc(F)cc2C(F)(F)F)C1 ZINC000410143785 823400904 /nfs/dbraw/zinc/40/09/04/823400904.db2.gz DXUNKQWTJPEWQQ-CQSZACIVSA-N 1 0 389.437 4.156 20 0 GIADRO CCOC(=O)N1CCC([C@H](C)[NH2+]Cc2ccc(CSC(F)F)o2)CC1 ZINC000189376584 823403729 /nfs/dbraw/zinc/40/37/29/823403729.db2.gz GCZLAKRPFYSPNQ-LBPRGKRZSA-N 1 0 376.469 4.082 20 0 GIADRO Cc1cc([C@H](C)NC(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)ccc1F ZINC000460481677 823403778 /nfs/dbraw/zinc/40/37/78/823403778.db2.gz ZAVPXIIUBRJZFW-VLCRHTCISA-N 1 0 395.522 4.359 20 0 GIADRO Brc1cccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)c1 ZINC000058505815 823401713 /nfs/dbraw/zinc/40/17/13/823401713.db2.gz YCIFESAEKKPFHX-MRXNPFEDSA-N 1 0 389.341 4.147 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)Nc1ccc(-c2ccccn2)cc1 ZINC000572805268 823402520 /nfs/dbraw/zinc/40/25/20/823402520.db2.gz KEVLEMBNSZRTQH-HXUWFJFHSA-N 1 0 376.460 4.300 20 0 GIADRO CC(=O)c1ccc(NC(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)cc1 ZINC000058519864 823403284 /nfs/dbraw/zinc/40/32/84/823403284.db2.gz ZJABGSSPOOWMAQ-UHFFFAOYSA-N 1 0 379.504 4.443 20 0 GIADRO COc1cc(C[N@H+](C)C[C@H](O)c2cccc(Br)c2)ccc1SC ZINC000058527978 823404256 /nfs/dbraw/zinc/40/42/56/823404256.db2.gz OCDXLKFMSFANGS-INIZCTEOSA-N 1 0 396.350 4.345 20 0 GIADRO COc1cc(C[N@H+](C)C[C@H](O)COc2ccc3ccccc3c2)ccc1SC ZINC000058528317 823404366 /nfs/dbraw/zinc/40/43/66/823404366.db2.gz ZMVCMABZMORAMR-FQEVSTJZSA-N 1 0 397.540 4.442 20 0 GIADRO CCn1c(C[NH2+][C@@H](C)[C@H](OC2CCOCC2)c2ccccc2)nc2ccccc21 ZINC000122744163 823404496 /nfs/dbraw/zinc/40/44/96/823404496.db2.gz OYCFTFKAPSLONF-UUOWRZLLSA-N 1 0 393.531 4.471 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)c1ccc(Br)cc1 ZINC000177228276 823404889 /nfs/dbraw/zinc/40/48/89/823404889.db2.gz LAXKOPAGOQPKTQ-INIZCTEOSA-N 1 0 389.337 4.132 20 0 GIADRO CC[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000058539295 823406077 /nfs/dbraw/zinc/40/60/77/823406077.db2.gz ANOSBAUPAIRBTH-LEWJYISDSA-N 1 0 391.475 4.469 20 0 GIADRO CSC1(CNC(=O)N[C@@H](c2cccc(C)c2)C(C)(C)C)CC[NH+](C)CC1 ZINC000460499365 823408998 /nfs/dbraw/zinc/40/89/98/823408998.db2.gz ZZHKDMMZPGIKBV-SFHVURJKSA-N 1 0 377.598 4.209 20 0 GIADRO FC(F)Oc1cc(-c2noc([C@H]3CCC[N@H+](Cc4ccccc4)C3)n2)ccn1 ZINC000410168279 823408739 /nfs/dbraw/zinc/40/87/39/823408739.db2.gz ZGZHVGVBXOBYIE-INIZCTEOSA-N 1 0 386.402 4.113 20 0 GIADRO CC[C@H](C)C(=O)Nc1cccc(C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000177237534 823406973 /nfs/dbraw/zinc/40/69/73/823406973.db2.gz XZVPMJZFHMNLMO-INIZCTEOSA-N 1 0 389.540 4.160 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(CN2CCCC2=O)cc1)c1ccc(Br)cc1 ZINC000177238018 823407050 /nfs/dbraw/zinc/40/70/50/823407050.db2.gz MQDOCLQYPXOWKG-HNNXBMFYSA-N 1 0 387.321 4.422 20 0 GIADRO C[C@H](O)C[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1)c1ccccc1 ZINC000572841354 823408097 /nfs/dbraw/zinc/40/80/97/823408097.db2.gz RCSJKSQWFOXUKU-TUACAJSNSA-N 1 0 378.560 4.328 20 0 GIADRO CC1CC[NH+]([C@@H](CNC(=O)NCc2cc3ccccc3[nH]2)c2ccccc2)CC1 ZINC000058572020 823411059 /nfs/dbraw/zinc/41/10/59/823411059.db2.gz ZHDJILBPMKTWBE-QHCPKHFHSA-N 1 0 390.531 4.440 20 0 GIADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1cc(F)cc(Br)c1 ZINC000177256163 823411175 /nfs/dbraw/zinc/41/11/75/823411175.db2.gz MJDDYQOLOOPGHB-UHFFFAOYSA-N 1 0 383.305 4.115 20 0 GIADRO CC(C)[C@@H](NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1 ZINC000410186772 823413858 /nfs/dbraw/zinc/41/38/58/823413858.db2.gz AZHKVVYMKVUFSK-OAQYLSRUSA-N 1 0 384.499 4.134 20 0 GIADRO COCC(C)(C)CCCNC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000572866789 823411593 /nfs/dbraw/zinc/41/15/93/823411593.db2.gz REPYDKFWYDSZFN-LJQANCHMSA-N 1 0 389.584 4.171 20 0 GIADRO O=C(CC1CCCC1)N1CCC[N@H+](CCOc2ccc3ccccc3c2)CC1 ZINC000058578950 823412095 /nfs/dbraw/zinc/41/20/95/823412095.db2.gz PAIOGZNDEWCJPQ-UHFFFAOYSA-N 1 0 380.532 4.333 20 0 GIADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccn(-c2ccccc2Cl)n1 ZINC000177259037 823412318 /nfs/dbraw/zinc/41/23/18/823412318.db2.gz USJBNFCLEXICGR-UHFFFAOYSA-N 1 0 386.927 4.053 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)c1ccccc1C(F)(F)F)c1ccccc1-n1cccn1 ZINC000177259081 823412350 /nfs/dbraw/zinc/41/23/50/823412350.db2.gz PZDYYGFMKIFECZ-IFXJQAMLSA-N 1 0 375.394 4.275 20 0 GIADRO COc1ccc2ccccc2c1CNC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000410179844 823412349 /nfs/dbraw/zinc/41/23/49/823412349.db2.gz CWOXXCIGMKXTHQ-GOSISDBHSA-N 1 0 383.517 4.012 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)CCc1cccc(Cl)c1)c1cccc(OC)c1 ZINC000058582207 823412371 /nfs/dbraw/zinc/41/23/71/823412371.db2.gz CICFPNBXVSXJLS-NRFANRHFSA-N 1 0 388.939 4.481 20 0 GIADRO COc1ccc2ccccc2c1CNC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000410179845 823412406 /nfs/dbraw/zinc/41/24/06/823412406.db2.gz CWOXXCIGMKXTHQ-SFHVURJKSA-N 1 0 383.517 4.012 20 0 GIADRO CCOC(=O)c1csc(CC[NH2+][C@H]2CCCc3c4cc(C)ccc4[nH]c32)n1 ZINC000572879125 823412888 /nfs/dbraw/zinc/41/28/88/823412888.db2.gz QOYKKHLSEAJDIB-KRWDZBQOSA-N 1 0 383.517 4.319 20 0 GIADRO CC(C)Oc1cccc(CN(C)C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000122795867 823413346 /nfs/dbraw/zinc/41/33/46/823413346.db2.gz PDCFDTBBBJPELS-IBGZPJMESA-N 1 0 375.557 4.270 20 0 GIADRO COCCc1ccccc1NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000189405474 823409646 /nfs/dbraw/zinc/40/96/46/823409646.db2.gz TXANYZJNGYFGFM-IBGZPJMESA-N 1 0 395.547 4.429 20 0 GIADRO C[C@@H](Sc1nc2ccccc2s1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000058593750 823414393 /nfs/dbraw/zinc/41/43/93/823414393.db2.gz HSJWWHKVMNZHOS-WBVHZDCISA-N 1 0 397.569 4.168 20 0 GIADRO COc1ccc(C[C@@H](CO)C[NH2+]Cc2cccc(-c3ccccc3C)c2)cc1O ZINC000572888745 823414455 /nfs/dbraw/zinc/41/44/55/823414455.db2.gz JHYXIAOYKNASHN-OAQYLSRUSA-N 1 0 391.511 4.317 20 0 GIADRO COc1ccc2ccccc2c1CNC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000410197098 823416858 /nfs/dbraw/zinc/41/68/58/823416858.db2.gz WNHVWOJRFYOYPQ-SFHVURJKSA-N 1 0 383.536 4.302 20 0 GIADRO C[C@H](NC(=O)NCC[N@@H+]1CCc2ccccc2C1)c1ccc(C(F)(F)F)cc1 ZINC000410200251 823417838 /nfs/dbraw/zinc/41/78/38/823417838.db2.gz SHSKIPJIYIFOLY-HNNXBMFYSA-N 1 0 391.437 4.124 20 0 GIADRO C[C@H]([NH2+]C[C@@H](c1cccs1)N1CCOCC1)c1cccc(Br)c1 ZINC000410204288 823418881 /nfs/dbraw/zinc/41/88/81/823418881.db2.gz AOFARSWSOOPTRN-YOEHRIQHSA-N 1 0 395.366 4.235 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)N2CC[C@@H](c3ccccc3)[C@@H]2C)CC1 ZINC000177283428 823420624 /nfs/dbraw/zinc/42/06/24/823420624.db2.gz WULHJMHNISIDDC-PZJWPPBQSA-N 1 0 392.547 4.238 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)NCc2ccc(OC(C)C)cc2)CC1 ZINC000410225297 823425131 /nfs/dbraw/zinc/42/51/31/823425131.db2.gz STEKRAANBRAHPO-UHFFFAOYSA-N 1 0 395.547 4.246 20 0 GIADRO COCCCOc1ccc(C[NH2+][C@H](C)c2ccc(-n3ccnc3C)cc2)cc1 ZINC000572946799 823425335 /nfs/dbraw/zinc/42/53/35/823425335.db2.gz CIXJXXZDUHUEFJ-GOSISDBHSA-N 1 0 379.504 4.447 20 0 GIADRO COC(=O)c1cc(C[NH2+][C@H](c2cncc(Br)c2)C2CC2)c(C)s1 ZINC000572979786 823429310 /nfs/dbraw/zinc/42/93/10/823429310.db2.gz BOUHSCUTHMJSKG-INIZCTEOSA-N 1 0 395.322 4.242 20 0 GIADRO Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000122877722 823427700 /nfs/dbraw/zinc/42/77/00/823427700.db2.gz ADLKDWFDWBJUFR-INIZCTEOSA-N 1 0 390.911 4.132 20 0 GIADRO C[N@@H+]1CC[C@H](CNC(=O)N2CC(C)(C)[C@H]2C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000460549031 823427858 /nfs/dbraw/zinc/42/78/58/823427858.db2.gz DTBMKFTVOCLGLH-AYOQOUSVSA-N 1 0 393.934 4.302 20 0 GIADRO COc1cccc(C2(F)CCN(C(=O)[C@@H](C)[N@H+](C)Cc3ccccc3)CC2)c1 ZINC000410233019 823428528 /nfs/dbraw/zinc/42/85/28/823428528.db2.gz YWQFQBSFGLYVKQ-GOSISDBHSA-N 1 0 384.495 4.003 20 0 GIADRO CC(C)(C)OC(=O)N1CC=C(C[NH2+]Cc2cccc(-c3cccnc3)c2)CC1 ZINC000189489475 823428764 /nfs/dbraw/zinc/42/87/64/823428764.db2.gz RAIYKIIMEQFOHY-UHFFFAOYSA-N 1 0 379.504 4.405 20 0 GIADRO COc1cccc(C2(F)CCN(C(=O)[C@H]3CCC[N@@H+]3Cc3ccccc3)CC2)c1 ZINC000410240196 823430851 /nfs/dbraw/zinc/43/08/51/823430851.db2.gz JFLNCRGBKXHSSC-JOCHJYFZSA-N 1 0 396.506 4.147 20 0 GIADRO C[N@H+](CCCNC(=O)NCc1ccc(C(F)(F)F)cc1)Cc1ccccc1 ZINC000058686937 823430896 /nfs/dbraw/zinc/43/08/96/823430896.db2.gz BFAGXJUWJPOVQX-UHFFFAOYSA-N 1 0 379.426 4.027 20 0 GIADRO C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 ZINC000572997903 823431848 /nfs/dbraw/zinc/43/18/48/823431848.db2.gz WNYLLSOVLDGHJM-HNNXBMFYSA-N 1 0 377.872 4.148 20 0 GIADRO CC1CC[NH+]([C@@H](CNC(=O)N[C@H]2CCc3cc(N)ccc32)c2cccs2)CC1 ZINC000573022265 823434647 /nfs/dbraw/zinc/43/46/47/823434647.db2.gz YGBZKMRGJBDIKT-PMACEKPBSA-N 1 0 398.576 4.090 20 0 GIADRO COc1ccc(Cl)cc1CC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000024650903 819859626 /nfs/dbraw/zinc/85/96/26/819859626.db2.gz AYKNWESKHICUOE-UHFFFAOYSA-N 1 0 386.923 4.193 20 0 GIADRO COc1ccc(CC[NH2+]C2CCC3(CC2)C(=O)Nc2ccccc23)c(Cl)c1 ZINC000122915402 823433655 /nfs/dbraw/zinc/43/36/55/823433655.db2.gz BSSCIMVEOQDDCD-UHFFFAOYSA-N 1 0 384.907 4.313 20 0 GIADRO Cc1ccc(CNC(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 ZINC000024667662 819862977 /nfs/dbraw/zinc/86/29/77/819862977.db2.gz SDPYIEMPAHWUFO-PKOBYXMFSA-N 1 0 377.488 4.021 20 0 GIADRO CC(C)n1ncc2ccc(NC(=O)N[C@@H]3CC[N@H+](C)[C@@H]3c3ccccc3)cc21 ZINC000189538497 823440256 /nfs/dbraw/zinc/44/02/56/823440256.db2.gz SYYKUMFYSYKTDI-TZIWHRDSSA-N 1 0 377.492 4.184 20 0 GIADRO Cc1cc2cc(NC(=O)N3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@H]4C3)ccc2[nH]1 ZINC000573023532 823435458 /nfs/dbraw/zinc/43/54/58/823435458.db2.gz SOYQDWONHLJNGK-FPOVZHCZSA-N 1 0 388.515 4.462 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1csc(N(C(C)=O)c2ccc(C)cc2)n1 ZINC000177330718 823435840 /nfs/dbraw/zinc/43/58/40/823435840.db2.gz SEXCLEYRNYNCGN-CTNGQTDRSA-N 1 0 398.576 4.195 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)NCC(C)(C)C(F)(F)F ZINC000573024415 823435888 /nfs/dbraw/zinc/43/58/88/823435888.db2.gz HVYVNEGJOZRNKG-UHFFFAOYSA-N 1 0 375.435 4.117 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H](C)Oc1ccc(Br)cc1 ZINC000177331796 823436292 /nfs/dbraw/zinc/43/62/92/823436292.db2.gz PIIZSYOEBJOLER-AWEZNQCLSA-N 1 0 391.309 4.225 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H](C)Oc1ccc(Br)cc1 ZINC000177331782 823436410 /nfs/dbraw/zinc/43/64/10/823436410.db2.gz PIIZSYOEBJOLER-CQSZACIVSA-N 1 0 391.309 4.225 20 0 GIADRO COc1ccccc1-c1nc(C(=O)N2CC[NH+](CC3CCCCC3)CC2)cs1 ZINC000058706227 823436413 /nfs/dbraw/zinc/43/64/13/823436413.db2.gz PESDVPPTURNMNO-UHFFFAOYSA-N 1 0 399.560 4.157 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)[C@@H](NC(=O)c2ccc(C)cc2)C(C)C)c1 ZINC000024925425 819896110 /nfs/dbraw/zinc/89/61/10/819896110.db2.gz PYKTYGRDZMMSGC-QFIPXVFZSA-N 1 0 395.547 4.230 20 0 GIADRO Cn1c(C[NH2+]CCCc2nc(-c3ccncc3)cs2)nc2cc(Cl)ccc21 ZINC000122943803 823437704 /nfs/dbraw/zinc/43/77/04/823437704.db2.gz KVCXYGPPFRAWFV-UHFFFAOYSA-N 1 0 397.935 4.468 20 0 GIADRO C/C=C/c1ccc(OC[C@H](O)C[N@H+]2CCC[C@H]2c2cccc(OC)c2)c(OC)c1 ZINC000025069067 819920084 /nfs/dbraw/zinc/92/00/84/819920084.db2.gz RZCDIYMYTKIYMX-RLPPLFNESA-N 1 0 397.515 4.314 20 0 GIADRO CCOc1ccc(NC(=O)N(CC)CCC[NH+]2CCCC2)c(C(F)(F)F)c1 ZINC000189531972 823438600 /nfs/dbraw/zinc/43/86/00/823438600.db2.gz XJCNDTBCEGDVBR-UHFFFAOYSA-N 1 0 387.446 4.444 20 0 GIADRO CC(C)[NH+]1CCN(C(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)CC1 ZINC000025135976 819934474 /nfs/dbraw/zinc/93/44/74/819934474.db2.gz GSLIQINEXQKZJD-UHFFFAOYSA-N 1 0 394.544 4.021 20 0 GIADRO CC(C)CCn1ncc(NC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)c1C(C)C ZINC000573043222 823438929 /nfs/dbraw/zinc/43/89/29/823438929.db2.gz RBHQOXTXJXRHML-HXUWFJFHSA-N 1 0 397.567 4.298 20 0 GIADRO CC[C@H](C)Oc1cc(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)ccc1OC ZINC000122965655 823441206 /nfs/dbraw/zinc/44/12/06/823441206.db2.gz RWVLBPMMUYQOPC-PXNSSMCTSA-N 1 0 377.525 4.033 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000025330860 819963696 /nfs/dbraw/zinc/96/36/96/819963696.db2.gz PMLRVNVAMHREAW-INIZCTEOSA-N 1 0 389.521 4.352 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1ccc(NC(=O)c2cccs2)cc1)c1ccsc1 ZINC000025330643 819963735 /nfs/dbraw/zinc/96/37/35/819963735.db2.gz VEOGTHZZFISMBJ-QGZVFWFLSA-N 1 0 399.541 4.095 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1ccccc1OCc1ccc(F)cc1)c1ccsc1 ZINC000025330063 819963904 /nfs/dbraw/zinc/96/39/04/819963904.db2.gz LRXXKUDQNDPQDV-FQEVSTJZSA-N 1 0 398.503 4.499 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)COc1ccc(Oc2ccccc2)cc1)c1ccsc1 ZINC000025331882 819964485 /nfs/dbraw/zinc/96/44/85/819964485.db2.gz COCXXNBJDQHKKR-OAQYLSRUSA-N 1 0 396.512 4.338 20 0 GIADRO CCCn1c(C)c(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)c2cc(OC)ccc21 ZINC000025331581 819964654 /nfs/dbraw/zinc/96/46/54/819964654.db2.gz AYMOJYWDWOPNHW-HXUWFJFHSA-N 1 0 399.560 4.463 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1ccccc1NC(=O)c1cccs1)c1ccsc1 ZINC000025332207 819964790 /nfs/dbraw/zinc/96/47/90/819964790.db2.gz PMQFVBVDQPHQHJ-QGZVFWFLSA-N 1 0 399.541 4.095 20 0 GIADRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](Cc2nnc(C3CC3)s2)[C@H]2CCCC[C@H]12 ZINC000573059389 823442204 /nfs/dbraw/zinc/44/22/04/823442204.db2.gz DCVBNRXSIFCXIT-TVNOUSRMSA-N 1 0 390.597 4.099 20 0 GIADRO CC[C@H]([NH2+]Cc1ccc(OCC(=O)N2CCCC2)c(OC)c1)c1ccc(C)cc1 ZINC000025356835 819969364 /nfs/dbraw/zinc/96/93/64/819969364.db2.gz YZIMAKBJDMPOCU-NRFANRHFSA-N 1 0 396.531 4.246 20 0 GIADRO O[C@@H](C[NH2+][C@@H](c1ccccc1)c1ccc(OC(F)F)cc1)COc1ccccc1 ZINC000025367221 819970620 /nfs/dbraw/zinc/97/06/20/819970620.db2.gz XPGHOKGDIKIVPQ-UGKGYDQZSA-N 1 0 399.437 4.407 20 0 GIADRO CN(Cc1nc2c(s1)CCCC2)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000177350328 823442502 /nfs/dbraw/zinc/44/25/02/823442502.db2.gz DLHIXQQUFZXGAS-IBGZPJMESA-N 1 0 398.576 4.000 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)CCC2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000122976599 823442526 /nfs/dbraw/zinc/44/25/26/823442526.db2.gz VUTSFYJTKAKMMR-UHFFFAOYSA-N 1 0 389.540 4.114 20 0 GIADRO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)C[NH+]1CCCCCC1 ZINC000025407632 819976441 /nfs/dbraw/zinc/97/64/41/819976441.db2.gz RKTUIVXUAAWIRW-LJQANCHMSA-N 1 0 393.531 4.334 20 0 GIADRO O=C(C[N@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1)N1CCc2sccc2C1 ZINC000025459891 819985169 /nfs/dbraw/zinc/98/51/69/819985169.db2.gz IATKCGPSEIXGAD-JOCHJYFZSA-N 1 0 388.536 4.281 20 0 GIADRO CC(C)(CNC(=O)c1ccc(Br)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000025460723 819985397 /nfs/dbraw/zinc/98/53/97/819985397.db2.gz XMCYKIXJWLINIL-UHFFFAOYSA-N 1 0 387.321 4.016 20 0 GIADRO Cc1cccc(OCC(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)c1 ZINC000025521371 819995218 /nfs/dbraw/zinc/99/52/18/819995218.db2.gz UEAMBWQQCHWDPT-UHFFFAOYSA-N 1 0 388.511 4.419 20 0 GIADRO CC1CCC(N(C[C@H]2CCCO2)C(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000460589813 823446537 /nfs/dbraw/zinc/44/65/37/823446537.db2.gz BVLNTHVTDHAFFT-VZYOYLOZSA-N 1 0 398.591 4.485 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc(NC(=O)CC(C)C)c(F)c1 ZINC000177358404 823444087 /nfs/dbraw/zinc/44/40/87/823444087.db2.gz JZBLUAFIQFJXQH-UHFFFAOYSA-N 1 0 385.483 4.433 20 0 GIADRO COc1cc(-c2noc(-c3sccc3C3CC3)n2)ccc1OCC[NH+](C)C ZINC000573078610 823444918 /nfs/dbraw/zinc/44/49/18/823444918.db2.gz TUGYGTXNKULVFI-UHFFFAOYSA-N 1 0 385.489 4.292 20 0 GIADRO O=C1CCCN1Cc1ccc(N[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000573091072 823445910 /nfs/dbraw/zinc/44/59/10/823445910.db2.gz VAXSIPWCSWNGSM-HSZRJFAPSA-N 1 0 389.543 4.418 20 0 GIADRO CC(C)(CNC(=O)/C=C/c1ccc2ccccc2n1)[N@@H+]1CCc2ccccc2C1 ZINC000025897814 820036531 /nfs/dbraw/zinc/03/65/31/820036531.db2.gz JJRHZDAGBFOWSX-BUHFOSPRSA-N 1 0 385.511 4.201 20 0 GIADRO COc1ccc(C[NH2+]Cc2cccc(OCc3ccccc3F)c2)c(OC)n1 ZINC000573101514 823447768 /nfs/dbraw/zinc/44/77/68/823447768.db2.gz SKQZGXVELGSKKY-UHFFFAOYSA-N 1 0 382.435 4.107 20 0 GIADRO CCNC(=O)CC[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000025923455 820040174 /nfs/dbraw/zinc/04/01/74/820040174.db2.gz NIKCKCRDBYCKKU-UHFFFAOYSA-N 1 0 396.922 4.151 20 0 GIADRO Cc1ccc(-c2nnc(N3CCC[C@H]([NH+]4CCCC4)CC3)n2CC(C)C)s1 ZINC000460594496 823448656 /nfs/dbraw/zinc/44/86/56/823448656.db2.gz FGPHADGBICIYII-SFHVURJKSA-N 1 0 387.597 4.426 20 0 GIADRO COc1cc(CN(C)C(=O)c2ccc(C[NH+]3CCCC3)cc2)ccc1SC ZINC000058772293 823448970 /nfs/dbraw/zinc/44/89/70/823448970.db2.gz GGBAAJXEUPFWPF-UHFFFAOYSA-N 1 0 384.545 4.285 20 0 GIADRO Cc1ccc2c(C[NH+]3CCC([C@@H](O)c4ccccc4)CC3)cc(=O)oc2c1C ZINC000026117600 820060692 /nfs/dbraw/zinc/06/06/92/820060692.db2.gz ROUPLQRTRYZJMD-QHCPKHFHSA-N 1 0 377.484 4.355 20 0 GIADRO FC(F)Oc1ccc2c(c1)CCC[C@H]2[NH2+]C1CCN(Cc2cccnc2)CC1 ZINC000123021868 823449599 /nfs/dbraw/zinc/44/95/99/823449599.db2.gz UVXZZMAFBXDDKW-OAQYLSRUSA-N 1 0 387.474 4.315 20 0 GIADRO COc1ccc2ccccc2c1CNC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000026150780 820064651 /nfs/dbraw/zinc/06/46/51/820064651.db2.gz LXCBWICDZGUKEI-IBGZPJMESA-N 1 0 383.517 4.012 20 0 GIADRO C[C@@H](CNC(=O)N[C@@H](C)c1cc2ccccc2o1)[N@@H+]1CCc2ccccc2C1 ZINC000026174069 820066926 /nfs/dbraw/zinc/06/69/26/820066926.db2.gz VTJQZWMDGARESN-IRXDYDNUSA-N 1 0 377.488 4.240 20 0 GIADRO CC(=O)Nc1ccc(C[NH2+]Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)cc1 ZINC000189579952 823450337 /nfs/dbraw/zinc/45/03/37/823450337.db2.gz QUQGIIUMTPXEKS-UHFFFAOYSA-N 1 0 395.503 4.186 20 0 GIADRO CC(C)(C)OC(=O)N1Cc2ccc(C[NH2+]Cc3ccccc3[N+](=O)[O-])cc2C1 ZINC000189580945 823450801 /nfs/dbraw/zinc/45/08/01/823450801.db2.gz MQHDQTAQHNFYAY-UHFFFAOYSA-N 1 0 383.448 4.135 20 0 GIADRO Clc1ccccc1Cn1cc(C[NH2+]CCn2ccnc2)c(-c2ccccc2)n1 ZINC000026309328 820080808 /nfs/dbraw/zinc/08/08/08/820080808.db2.gz GPUGKOMWOGQLLC-UHFFFAOYSA-N 1 0 391.906 4.238 20 0 GIADRO COC(=O)c1ccc(C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3)cc2)cc1 ZINC000026321289 820082726 /nfs/dbraw/zinc/08/27/26/820082726.db2.gz LVNLTSWRCPPOMV-UHFFFAOYSA-N 1 0 388.467 4.358 20 0 GIADRO COc1ccc(C2(C(=O)NC[C@@H](c3cccc(F)c3)[NH+](C)C)CCCC2)cc1 ZINC000058784100 823451380 /nfs/dbraw/zinc/45/13/80/823451380.db2.gz LZDBVWGTBOXAMW-NRFANRHFSA-N 1 0 384.495 4.065 20 0 GIADRO COc1ccc(C[NH2+]Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)cc1OC ZINC000189583110 823451564 /nfs/dbraw/zinc/45/15/64/823451564.db2.gz BFOOAUBGLYTDGA-UHFFFAOYSA-N 1 0 398.503 4.244 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000026369174 820090946 /nfs/dbraw/zinc/09/09/46/820090946.db2.gz SQBIQRYUCDBYSY-GJZGRUSLSA-N 1 0 385.895 4.145 20 0 GIADRO COCC[N@H+](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)C1CCCC1 ZINC000026447145 820098136 /nfs/dbraw/zinc/09/81/36/820098136.db2.gz NNAUMZUDQPYSIQ-UHFFFAOYSA-N 1 0 378.822 4.188 20 0 GIADRO Cc1cnc([C@@H](C)NC(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)s1 ZINC000177393660 823452678 /nfs/dbraw/zinc/45/26/78/823452678.db2.gz LOWPOHMCQSEUMV-RHSMWYFYSA-N 1 0 392.956 4.302 20 0 GIADRO COc1ccc(C[C@H](C)C(=O)Nc2ccc(C[NH+]3CCSCC3)cc2C)cc1 ZINC000123047063 823452878 /nfs/dbraw/zinc/45/28/78/823452878.db2.gz HFSLMYBWHWILOE-SFHVURJKSA-N 1 0 398.572 4.370 20 0 GIADRO COc1ccc(C[C@@H](C)C(=O)Nc2ccc(C[NH+]3CCSCC3)cc2C)cc1 ZINC000123047282 823452889 /nfs/dbraw/zinc/45/28/89/823452889.db2.gz HFSLMYBWHWILOE-GOSISDBHSA-N 1 0 398.572 4.370 20 0 GIADRO O=C(Cc1ccccc1)N1CCC[C@H]([NH2+]C2CC(c3cc(F)cc(F)c3)C2)C1 ZINC000573140187 823454247 /nfs/dbraw/zinc/45/42/47/823454247.db2.gz DOCKSBXJCQXDGT-QUENFVSXSA-N 1 0 384.470 4.034 20 0 GIADRO Fc1cccc(F)c1-c1n[nH]cc1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000573140406 823454331 /nfs/dbraw/zinc/45/43/31/823454331.db2.gz NBOBRPRABDHPJT-LQWHRVPQSA-N 1 0 395.453 4.359 20 0 GIADRO Cc1ccccc1[C@H](OC[C@H](O)C[N@@H+]1CCC(F)(F)[C@H](C)C1)c1ccccc1 ZINC000573142665 823454666 /nfs/dbraw/zinc/45/46/66/823454666.db2.gz FIUMTYRJOIWREK-SYYKKAFVSA-N 1 0 389.486 4.439 20 0 GIADRO CC[C@H]1c2ccsc2CCN1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000410310156 823459395 /nfs/dbraw/zinc/45/93/95/823459395.db2.gz HZMALBUWAWMFJZ-NRFANRHFSA-N 1 0 397.588 4.474 20 0 GIADRO CCCN(C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000573145024 823454962 /nfs/dbraw/zinc/45/49/62/823454962.db2.gz KHDNEBBLGNKXGF-DXBBTUNJSA-N 1 0 399.579 4.059 20 0 GIADRO COc1ccccc1-c1nnc(N2CCC[C@@H]([NH+]3CCCC3)CC2)n1CC(C)C ZINC000460624559 823459382 /nfs/dbraw/zinc/45/93/82/823459382.db2.gz BRGYUZZSAJDKNZ-LJQANCHMSA-N 1 0 397.567 4.064 20 0 GIADRO O[C@@]1(C[NH2+]Cc2ccc(F)cc2Br)CCC[C@@H](C(F)(F)F)C1 ZINC000189601172 823455672 /nfs/dbraw/zinc/45/56/72/823455672.db2.gz SOFRPZZEKWJGAA-RISCZKNCSA-N 1 0 384.211 4.161 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)Cc3c(F)cccc3Cl)c(C)c2)CC1 ZINC000026908788 820162623 /nfs/dbraw/zinc/16/26/23/820162623.db2.gz DDSLBAXJQPYMIT-UHFFFAOYSA-N 1 0 389.902 4.111 20 0 GIADRO O=C(NC1CCN(Cc2cnc(-c3cccs3)s2)CC1)c1ccccc1 ZINC000123074991 823457528 /nfs/dbraw/zinc/45/75/28/823457528.db2.gz MPEXJHBZHQQQKB-UHFFFAOYSA-N 1 0 383.542 4.266 20 0 GIADRO c1ccc(OCCCCC[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000189611956 823457878 /nfs/dbraw/zinc/45/78/78/823457878.db2.gz SJCMDXWJNYWSAJ-HXUWFJFHSA-N 1 0 382.552 4.433 20 0 GIADRO Cc1ccc2cc(C[N@@H+]3CCC[C@@H](c4nnc5n4CCCCC5)C3)ccc2n1 ZINC000189612270 823457998 /nfs/dbraw/zinc/45/79/98/823457998.db2.gz KUFSGQHHPCINCR-HXUWFJFHSA-N 1 0 375.520 4.241 20 0 GIADRO CN(C(=O)Nc1cccc(OCC[NH+](C)C)c1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000573163425 823458024 /nfs/dbraw/zinc/45/80/24/823458024.db2.gz IETADJSCBDQAFZ-FZNQNYSPSA-N 1 0 387.446 4.212 20 0 GIADRO O=C(c1cc(Oc2ccccc2)ccc1O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000177419716 823458321 /nfs/dbraw/zinc/45/83/21/823458321.db2.gz XNKBKXWPVBEKAP-SFHVURJKSA-N 1 0 380.488 4.133 20 0 GIADRO CCc1cccc[n+]1C(C(=O)c1cc(C)c(C)c(C)c1C)C(=S)NC1CC1 ZINC000027061191 820187147 /nfs/dbraw/zinc/18/71/47/820187147.db2.gz DWSRGAFYXNYRDI-UHFFFAOYSA-O 1 0 381.565 4.461 20 0 GIADRO CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)CC1Cc2ccccc2C1 ZINC000573172791 823460167 /nfs/dbraw/zinc/46/01/67/823460167.db2.gz GLBDNKAHJFNIAN-UHFFFAOYSA-N 1 0 376.422 4.381 20 0 GIADRO CC[C@@H]1CN(C(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)c2ccccc2O1 ZINC000460628094 823460341 /nfs/dbraw/zinc/46/03/41/823460341.db2.gz SSDVYMVZOTUCOQ-OAQYLSRUSA-N 1 0 393.531 4.035 20 0 GIADRO CC(C)Cn1c(C2CC2)nnc1N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000460629016 823460616 /nfs/dbraw/zinc/46/06/16/823460616.db2.gz KTQHCNYCTIAIDR-DEOSSOPVSA-N 1 0 393.579 4.304 20 0 GIADRO CC(C)n1ncc2cc(C(=O)Nc3cccc(C[NH+]4CCCCC4)c3)cnc21 ZINC000027141439 820200588 /nfs/dbraw/zinc/20/05/88/820200588.db2.gz IJROZFDGBSVAHR-UHFFFAOYSA-N 1 0 377.492 4.250 20 0 GIADRO COc1cc(C[NH2+]CCc2nc3c(cccc3C)o2)ccc1OCC(F)(F)F ZINC000410316488 823461149 /nfs/dbraw/zinc/46/11/49/823461149.db2.gz GGRIESBKUNSMLF-UHFFFAOYSA-N 1 0 394.393 4.418 20 0 GIADRO CC[C@H]([NH2+][C@@H]1CCc2ccc(F)cc21)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000573179256 823461787 /nfs/dbraw/zinc/46/17/87/823461787.db2.gz YLUPEIJEBFCORB-ZWKOTPCHSA-N 1 0 396.915 4.115 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)NCCCSc2ccccc2)CC1 ZINC000410318936 823461795 /nfs/dbraw/zinc/46/17/95/823461795.db2.gz KFYANBVJGDWINY-UHFFFAOYSA-N 1 0 397.588 4.441 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@H](C)CCc2ccccc2)CC1 ZINC000410320684 823462030 /nfs/dbraw/zinc/46/20/30/823462030.db2.gz UXQUXJHWSDRJJJ-HXUWFJFHSA-N 1 0 379.548 4.280 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1ccc(OC2CCC2)cc1Cl)c1cccs1 ZINC000123098522 823462180 /nfs/dbraw/zinc/46/21/80/823462180.db2.gz NXGXFBLXZSPUDU-QGZVFWFLSA-N 1 0 378.925 4.366 20 0 GIADRO C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000177438370 823462210 /nfs/dbraw/zinc/46/22/10/823462210.db2.gz NNMNVYFQSVEHQI-HNNXBMFYSA-N 1 0 382.470 4.407 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)N2CCc3cc(F)c(F)cc32)CC1 ZINC000410321341 823462346 /nfs/dbraw/zinc/46/23/46/823462346.db2.gz AYMIVFHFRLARGM-UHFFFAOYSA-N 1 0 385.458 4.010 20 0 GIADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000058853666 823462404 /nfs/dbraw/zinc/46/24/04/823462404.db2.gz METQEHDXZOKETR-OAHLLOKOSA-N 1 0 394.884 4.268 20 0 GIADRO O[C@]1(C[NH2+]Cc2ccccc2OCc2cccnc2)CCC[C@H](C(F)(F)F)C1 ZINC000189629249 823462470 /nfs/dbraw/zinc/46/24/70/823462470.db2.gz AZMNKZAIZUTLRM-AZUAARDMSA-N 1 0 394.437 4.234 20 0 GIADRO COc1cccc([C@H](CNC(=O)[C@H](C)Sc2ccc(C)cc2)[NH+]2CCCC2)c1 ZINC000027341299 820227596 /nfs/dbraw/zinc/22/75/96/820227596.db2.gz HBOILPXIJAOPPT-AVRDEDQJSA-N 1 0 398.572 4.438 20 0 GIADRO COc1cccc([C@H](CNC(=O)CCc2ccc(C)cc2C)[NH+]2CCCC2)c1 ZINC000027342681 820227615 /nfs/dbraw/zinc/22/76/15/820227615.db2.gz DBTMTTLTTRXBNF-QHCPKHFHSA-N 1 0 380.532 4.198 20 0 GIADRO COc1cccc([C@H](CNC(=O)c2cc3ccccc3s2)[NH+]2CCCC2)c1 ZINC000027341446 820228002 /nfs/dbraw/zinc/22/80/02/820228002.db2.gz XHVFSBCXQIJCPJ-IBGZPJMESA-N 1 0 380.513 4.477 20 0 GIADRO COc1ccccc1C(C)(C)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000058878768 823465217 /nfs/dbraw/zinc/46/52/17/823465217.db2.gz ITHFBKFKKRKEOJ-HXUWFJFHSA-N 1 0 380.532 4.001 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)Nc2cnn([C@@H](C)C3CC3)c2)CC1 ZINC000189633965 823463553 /nfs/dbraw/zinc/46/35/53/823463553.db2.gz DQUJQRMISHFMAR-SJORKVTESA-N 1 0 381.524 4.201 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)CCSc2nc3ccccc3s2)CC1 ZINC000058861229 823463636 /nfs/dbraw/zinc/46/36/36/823463636.db2.gz VYGOFLHDXMWVBK-UHFFFAOYSA-N 1 0 391.606 4.357 20 0 GIADRO CSCCCNC(=S)C(C(=O)c1cc(C)sc1C)[n+]1ccc(C)cc1 ZINC000027479255 820250139 /nfs/dbraw/zinc/25/01/39/820250139.db2.gz RBYUZSFUQKFIRU-UHFFFAOYSA-O 1 0 393.623 4.242 20 0 GIADRO C[NH+](C)[C@H]1CCOc2c(NC(=O)Cc3scnc3-c3ccccc3)cccc21 ZINC000573197220 823464209 /nfs/dbraw/zinc/46/42/09/823464209.db2.gz FMBOQRPELQBRAF-SFHVURJKSA-N 1 0 393.512 4.377 20 0 GIADRO CCOc1ccc(C[NH2+]C[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)cc1OCC ZINC000189637161 823464228 /nfs/dbraw/zinc/46/42/28/823464228.db2.gz ODVAVEZPEXZVDH-CRAIPNDOSA-N 1 0 375.431 4.057 20 0 GIADRO O=C(Nc1ccccc1)[C@@H]1CCC[N@H+](CCCc2nc(-c3cccs3)no2)C1 ZINC000027572800 820261089 /nfs/dbraw/zinc/26/10/89/820261089.db2.gz PTXOEBVKDFRSRI-MRXNPFEDSA-N 1 0 396.516 4.081 20 0 GIADRO C[C@H](Oc1ccc(F)cc1)C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000027573449 820261223 /nfs/dbraw/zinc/26/12/23/820261223.db2.gz HGXWDCQFYPLANE-LPHOPBHVSA-N 1 0 390.524 4.244 20 0 GIADRO CC1CC[NH+]([C@@H](CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)c2cccs2)CC1 ZINC000027575535 820262148 /nfs/dbraw/zinc/26/21/48/820262148.db2.gz IKYUYNASLIEOGP-SWDXFRIISA-N 1 0 388.577 4.033 20 0 GIADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N(C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000460646430 823465541 /nfs/dbraw/zinc/46/55/41/823465541.db2.gz CXMKHIBSCYVOAC-NXHRZFHOSA-N 1 0 385.474 4.269 20 0 GIADRO C[C@H](C(=O)Nc1cccc2ccccc21)N1CC[NH+](CCc2ccccc2)CC1 ZINC000027576002 820262909 /nfs/dbraw/zinc/26/29/09/820262909.db2.gz NQFUDBBBHVHIBB-HXUWFJFHSA-N 1 0 387.527 4.027 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)C(C)(C)c3ccccc3C)CC2)cc1 ZINC000058880289 823465753 /nfs/dbraw/zinc/46/57/53/823465753.db2.gz XRLNZXATXFQDCH-UHFFFAOYSA-N 1 0 394.559 4.310 20 0 GIADRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)[C@H](c1ccccc1)C1CC1)c1ccccc1O2 ZINC000123124599 823466114 /nfs/dbraw/zinc/46/61/14/823466114.db2.gz HSEZPHOXVHAGJV-JTHBVZDNSA-N 1 0 390.527 4.285 20 0 GIADRO COc1ccc([C@@H](CNC(=O)c2ccccc2SC)[NH+]2CCCCC2)cc1 ZINC000027667274 820272886 /nfs/dbraw/zinc/27/28/86/820272886.db2.gz HRTYCJKFOFYPKK-HXUWFJFHSA-N 1 0 384.545 4.374 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)COc1ccc2oc3c(c2c1)CCCC3)c1cccs1 ZINC000027675452 820273666 /nfs/dbraw/zinc/27/36/66/820273666.db2.gz FNWPYBNJYMNOSX-SFHVURJKSA-N 1 0 398.528 4.171 20 0 GIADRO CC1CC[NH+](Cc2ccccc2CNC(=O)N(C)Cc2ccc(F)cc2)CC1 ZINC000410337416 823466910 /nfs/dbraw/zinc/46/69/10/823466910.db2.gz BFKZSGXFUQYMHE-UHFFFAOYSA-N 1 0 383.511 4.399 20 0 GIADRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1ccccc1SCc1cscn1 ZINC000027762094 820283838 /nfs/dbraw/zinc/28/38/38/820283838.db2.gz IRQGNHUGCLYBFR-OAHLLOKOSA-N 1 0 375.563 4.040 20 0 GIADRO CCOc1ccc(-c2nc(C)c(C(=O)N[C@H](C)C[NH+]3CCCCC3)s2)cc1 ZINC000027767105 820284120 /nfs/dbraw/zinc/28/41/20/820284120.db2.gz RNVOYPUVXDARPT-OAHLLOKOSA-N 1 0 387.549 4.121 20 0 GIADRO CCCN(CCC)C(=O)c1cccc(C(=O)NC2CC[NH+](C3CCCC3)CC2)c1 ZINC000177457886 823467447 /nfs/dbraw/zinc/46/74/47/823467447.db2.gz KUPZMIZQROXXJV-UHFFFAOYSA-N 1 0 399.579 4.086 20 0 GIADRO COCc1ccccc1CNC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000410339223 823467437 /nfs/dbraw/zinc/46/74/37/823467437.db2.gz XNCXXCIKKRPRFA-LJQANCHMSA-N 1 0 395.547 4.207 20 0 GIADRO C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000058899757 823467927 /nfs/dbraw/zinc/46/79/27/823467927.db2.gz VISQHWCXMLOYHS-OAHLLOKOSA-N 1 0 387.351 4.389 20 0 GIADRO c1ccc(COc2ccc(C[NH+]3CCC(OC[C@@H]4CCCO4)CC3)cc2)cc1 ZINC000177462910 823468049 /nfs/dbraw/zinc/46/80/49/823468049.db2.gz NOKJBBQJVGLCIJ-DEOSSOPVSA-N 1 0 381.516 4.426 20 0 GIADRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)C1(c2cccc(F)c2)CCCC1 ZINC000027935411 820298744 /nfs/dbraw/zinc/29/87/44/820298744.db2.gz UVIXVCNCEYXZSM-UHFFFAOYSA-N 1 0 394.534 4.461 20 0 GIADRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)c1ccc(SC(F)F)cc1 ZINC000027933403 820298824 /nfs/dbraw/zinc/29/88/24/820298824.db2.gz DBLSGWYZXAYLAS-UHFFFAOYSA-N 1 0 390.499 4.438 20 0 GIADRO C[C@H]1CCc2c(C(=O)NC3CC[NH+](CCc4ccccc4)CC3)csc2C1 ZINC000027934394 820298832 /nfs/dbraw/zinc/29/88/32/820298832.db2.gz ZQLHESMTCVHIJQ-KRWDZBQOSA-N 1 0 382.573 4.310 20 0 GIADRO FC(F)(F)c1cccc(OCCC[NH+]2CCC(OC[C@H]3CCCO3)CC2)c1 ZINC000177462602 823468099 /nfs/dbraw/zinc/46/80/99/823468099.db2.gz PXCUSZBCZRVFQE-LJQANCHMSA-N 1 0 387.442 4.134 20 0 GIADRO Cc1ccc(SCCC(=O)NC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000027938446 820299395 /nfs/dbraw/zinc/29/93/95/820299395.db2.gz PAKPIZGDCKAGKC-UHFFFAOYSA-N 1 0 382.573 4.301 20 0 GIADRO COc1ccccc1CCNC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000410343403 823468145 /nfs/dbraw/zinc/46/81/45/823468145.db2.gz FXHVVYRCXUKANN-IBGZPJMESA-N 1 0 395.547 4.112 20 0 GIADRO CCN(C(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1)C1CCCCC1 ZINC000410354447 823471725 /nfs/dbraw/zinc/47/17/25/823471725.db2.gz QBSSHRSPUYOMMZ-OALUTQOASA-N 1 0 387.568 4.160 20 0 GIADRO C[C@@H](CCc1ccco1)NC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000410345254 823468713 /nfs/dbraw/zinc/46/87/13/823468713.db2.gz OYAIOZXAHUXCCC-RBUKOAKNSA-N 1 0 383.536 4.475 20 0 GIADRO Cc1cn2nc(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)sc2n1 ZINC000028068687 820309270 /nfs/dbraw/zinc/30/92/70/820309270.db2.gz YQKFDWRSAYGYNR-UHFFFAOYSA-N 1 0 389.528 4.011 20 0 GIADRO CCCn1c(C)c(C(=O)N2CCC([NH+]3CCCC3)CC2)c2cc(OC)ccc21 ZINC000058907422 823469054 /nfs/dbraw/zinc/46/90/54/823469054.db2.gz KFRJWAJMCOAHRT-UHFFFAOYSA-N 1 0 383.536 4.069 20 0 GIADRO C[C@H](NC(=O)N1Cc2ccccc2OC(C)(C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000460658957 823469119 /nfs/dbraw/zinc/46/91/19/823469119.db2.gz UFZAMSUWXOCWEG-ZWKOTPCHSA-N 1 0 385.552 4.022 20 0 GIADRO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1cc(F)ccc1Br ZINC000028172228 820315301 /nfs/dbraw/zinc/31/53/01/820315301.db2.gz SYMKGGDRTAMHOK-UHFFFAOYSA-N 1 0 377.257 4.436 20 0 GIADRO COc1ccc(NC(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)c(OC)c1 ZINC000410346920 823469337 /nfs/dbraw/zinc/46/93/37/823469337.db2.gz XQLDIBBQRLOHTC-KRWDZBQOSA-N 1 0 397.519 4.400 20 0 GIADRO COc1ccc(CCCC(=O)NC[C@@H](c2ccc(SC)cc2)[NH+](C)C)cc1 ZINC000573240071 823469474 /nfs/dbraw/zinc/46/94/74/823469474.db2.gz HAJXGGWLAZZOCU-NRFANRHFSA-N 1 0 386.561 4.159 20 0 GIADRO O=C(Cc1c[nH]c2ccccc12)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000028246085 820320434 /nfs/dbraw/zinc/32/04/34/820320434.db2.gz ZTZLIBONHWBWBV-UHFFFAOYSA-N 1 0 377.488 4.214 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCc2sccc2C1 ZINC000410348014 823469613 /nfs/dbraw/zinc/46/96/13/823469613.db2.gz GHCDISQSSDSIMN-QGZVFWFLSA-N 1 0 383.561 4.390 20 0 GIADRO FC(F)(F)CN1CCC([NH2+][C@@H]2CCCc3cc(Br)ccc32)CC1 ZINC000573244873 823469828 /nfs/dbraw/zinc/46/98/28/823469828.db2.gz WNVZHAWFPRGRFD-MRXNPFEDSA-N 1 0 391.275 4.443 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc3ccccc32)c1 ZINC000028336037 820325901 /nfs/dbraw/zinc/32/59/01/820325901.db2.gz FGTBFHXNGYNFHW-HZPDHXFCSA-N 1 0 375.472 4.476 20 0 GIADRO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3c[nH]c4cccc(F)c34)c2)CC1 ZINC000123147909 823470050 /nfs/dbraw/zinc/47/00/50/823470050.db2.gz UXAMNJICNDYYNE-UHFFFAOYSA-N 1 0 380.467 4.090 20 0 GIADRO O=C(Nc1ccccc1)c1cccc(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)c1 ZINC000177470306 823470145 /nfs/dbraw/zinc/47/01/45/823470145.db2.gz ICZHCNGMFIIEDQ-HSZRJFAPSA-N 1 0 394.515 4.099 20 0 GIADRO Cc1cccc(C)c1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000028350140 820327792 /nfs/dbraw/zinc/32/77/92/820327792.db2.gz RZBROXSLKBDLCX-SJORKVTESA-N 1 0 379.504 4.330 20 0 GIADRO Cc1cccc(C)c1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000028350132 820327809 /nfs/dbraw/zinc/32/78/09/820327809.db2.gz RZBROXSLKBDLCX-IAGOWNOFSA-N 1 0 379.504 4.330 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N(C)CCc3ccccc3)cc2)C1 ZINC000410349723 823470171 /nfs/dbraw/zinc/47/01/71/823470171.db2.gz GNKRRWYBJZTSDL-HXUWFJFHSA-N 1 0 379.548 4.303 20 0 GIADRO COc1ccc(OC)c(NC(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000410348816 823470177 /nfs/dbraw/zinc/47/01/77/823470177.db2.gz BFOZUQHBEMFYNN-QGZVFWFLSA-N 1 0 397.519 4.257 20 0 GIADRO CCc1ccc(NC(=O)NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)cc1 ZINC000410353252 823471039 /nfs/dbraw/zinc/47/10/39/823471039.db2.gz MGUKLSJIZWZAPE-QZTJIDSGSA-N 1 0 381.520 4.180 20 0 GIADRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)N(C)[C@@H]3CCCC[C@@H]3C)cc2)C[C@H](C)O1 ZINC000410356961 823472815 /nfs/dbraw/zinc/47/28/15/823472815.db2.gz YAEXZMUHTOHTKM-PSHVLCQKSA-N 1 0 387.568 4.016 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCc1nc2c(cccc2C)o1)CC3 ZINC000410357238 823472852 /nfs/dbraw/zinc/47/28/52/823472852.db2.gz DADVMYWDKWDDIE-OAHLLOKOSA-N 1 0 375.472 4.316 20 0 GIADRO O=C(CC[NH+]1CCN(Cc2cccc(Cl)c2)CC1)Nc1ccccc1Cl ZINC000028736000 820354443 /nfs/dbraw/zinc/35/44/43/820354443.db2.gz OJSXPFFPWJOHFU-UHFFFAOYSA-N 1 0 392.330 4.140 20 0 GIADRO O=C(CC[N@@H+](Cc1cccs1)C[C@@H]1CCCO1)Nc1ccccc1Cl ZINC000028736526 820354493 /nfs/dbraw/zinc/35/44/93/820354493.db2.gz OMFDDBYFFFGEOX-HNNXBMFYSA-N 1 0 378.925 4.411 20 0 GIADRO COc1cc(F)ccc1NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000410357701 823473031 /nfs/dbraw/zinc/47/30/31/823473031.db2.gz FNQPRLHJCQHBLP-MRXNPFEDSA-N 1 0 385.483 4.388 20 0 GIADRO COc1ccc(CC[NH2+]Cc2cn(C)nc2-c2ccccc2)c(Cl)c1OC ZINC000573270082 823473452 /nfs/dbraw/zinc/47/34/52/823473452.db2.gz HSMJBAJJAGXABS-UHFFFAOYSA-N 1 0 385.895 4.090 20 0 GIADRO O=C(Cc1ccc(-n2cccc2)cc1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000028834536 820361857 /nfs/dbraw/zinc/36/18/57/820361857.db2.gz MQGZKEBOPSXEIR-HXUWFJFHSA-N 1 0 379.529 4.035 20 0 GIADRO CC(=O)c1ccc(NC(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000410359570 823473668 /nfs/dbraw/zinc/47/36/68/823473668.db2.gz NVJJDOYRUGUNBQ-KRWDZBQOSA-N 1 0 379.504 4.443 20 0 GIADRO C[C@@H]1C[NH+](CCCNC(=O)C[C@@H](Cc2ccccc2)c2ccccc2)C[C@@H](C)O1 ZINC000460672846 823473891 /nfs/dbraw/zinc/47/38/91/823473891.db2.gz BJUTWDPWEZCUQJ-PQNGQFLHSA-N 1 0 394.559 4.019 20 0 GIADRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(Br)cc2)cc1 ZINC000028893679 820368782 /nfs/dbraw/zinc/36/87/82/820368782.db2.gz AEAQARQHUPIBKU-CHWSQXEVSA-N 1 0 377.282 4.136 20 0 GIADRO C[C@@H](NCc1ccccc1C[NH+]1CCCCC1)C(=O)Nc1cc(F)ccc1F ZINC000028899375 820369872 /nfs/dbraw/zinc/36/98/72/820369872.db2.gz JQFBJCSEJFVQHB-MRXNPFEDSA-N 1 0 387.474 4.068 20 0 GIADRO CC[C@H](NC(=O)NCc1ccccc1C[N@H+](C)C(C)C)c1ccc(OC)cc1 ZINC000410360937 823474087 /nfs/dbraw/zinc/47/40/87/823474087.db2.gz SXQXNZMWZFDFGQ-QFIPXVFZSA-N 1 0 383.536 4.486 20 0 GIADRO Cc1cccc2oc(CC[NH2+][C@@H](C)c3ccc(NC(=O)NC4CC4)cc3)nc21 ZINC000410360403 823474179 /nfs/dbraw/zinc/47/41/79/823474179.db2.gz QPMZQJMNUKXMAT-HNNXBMFYSA-N 1 0 378.476 4.313 20 0 GIADRO Cc1ccc(C)c(OC[C@@H](O)C[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)c1C ZINC000028919430 820373202 /nfs/dbraw/zinc/37/32/02/820373202.db2.gz OGMLFHUPPOKGGR-GCJKJVERSA-N 1 0 396.531 4.051 20 0 GIADRO Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@@H](C)c2ccccc2OC(F)F)c1C ZINC000028922096 820373492 /nfs/dbraw/zinc/37/34/92/820373492.db2.gz RUFWETKWALRNIX-DLBZAZTESA-N 1 0 379.447 4.304 20 0 GIADRO CCC[N@H+](CC(=O)Nc1cc(OC)c(Cl)cc1OC)Cc1ccccc1 ZINC000028932614 820375499 /nfs/dbraw/zinc/37/54/99/820375499.db2.gz IQXGHZDYZPHGQV-UHFFFAOYSA-N 1 0 376.884 4.208 20 0 GIADRO 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 823474584 /nfs/dbraw/zinc/47/45/84/823474584.db2.gz ZBNWZFTZDXFLCI-YGRLFVJLSA-N 1 0 382.348 4.279 20 0 GIADRO COc1ccc(CCC(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)cc1F ZINC000058950442 823474633 /nfs/dbraw/zinc/47/46/33/823474633.db2.gz RFQVSPHBMRTIKU-SFHVURJKSA-N 1 0 398.522 4.458 20 0 GIADRO COc1ccc(NC(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c(OC)c1 ZINC000410363233 823474707 /nfs/dbraw/zinc/47/47/07/823474707.db2.gz ZYTWUHYGQGISIC-KRWDZBQOSA-N 1 0 397.519 4.257 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCC[C@H]2c2cccnc2)C1 ZINC000410362606 823474739 /nfs/dbraw/zinc/47/47/39/823474739.db2.gz HHIAVZYXHLHWLA-CVDCTZTESA-N 1 0 392.547 4.360 20 0 GIADRO CCOCc1ccc(CNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000028994283 820382035 /nfs/dbraw/zinc/38/20/35/820382035.db2.gz VHVWZFAMLXJPJI-UHFFFAOYSA-N 1 0 395.547 4.208 20 0 GIADRO Cc1nc(C(F)(F)F)ccc1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000029009489 820383592 /nfs/dbraw/zinc/38/35/92/820383592.db2.gz ZUBRIKWWFBMTDH-UHFFFAOYSA-N 1 0 391.437 4.325 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000058952640 823474973 /nfs/dbraw/zinc/47/49/73/823474973.db2.gz RUNIMECWFHWKIG-ZHRRBRCNSA-N 1 0 398.934 4.334 20 0 GIADRO Cc1c([C@@H](C)[NH2+]CCc2nc3c(cccc3C)o2)nnn1-c1ccc(C)cc1 ZINC000410364084 823475090 /nfs/dbraw/zinc/47/50/90/823475090.db2.gz XUUGEYQJSKPQRG-MRXNPFEDSA-N 1 0 375.476 4.227 20 0 GIADRO C[C@@H](Oc1cccc(F)c1)C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000029080948 820390412 /nfs/dbraw/zinc/39/04/12/820390412.db2.gz ADHBYZMXQKXYSD-GOSISDBHSA-N 1 0 384.495 4.141 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)CCOc1cccc(Cl)c1)c1ccsc1 ZINC000058954628 823475670 /nfs/dbraw/zinc/47/56/70/823475670.db2.gz FFUBFGZKJDPKEK-GOSISDBHSA-N 1 0 380.941 4.370 20 0 GIADRO CC(C)[C@@H]([NH2+]CC(=O)NCc1ccc(OC(F)F)cc1)c1ccc(F)cc1 ZINC000029117393 820396124 /nfs/dbraw/zinc/39/61/24/820396124.db2.gz RFPXRLSNGVXDIW-LJQANCHMSA-N 1 0 380.410 4.030 20 0 GIADRO COc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)N2CCc3ccccc3C2)cc1 ZINC000029155598 820401462 /nfs/dbraw/zinc/40/14/62/820401462.db2.gz HVGMSDFPMRBXDS-QHCPKHFHSA-N 1 0 378.516 4.197 20 0 GIADRO C(C[NH+]1CCC(OCC2CCCC2)CC1)N1CCC(OCC2CCCC2)CC1 ZINC000177495592 823476111 /nfs/dbraw/zinc/47/61/11/823476111.db2.gz CEPPSULJKSILJU-UHFFFAOYSA-N 1 0 392.628 4.329 20 0 GIADRO Cc1ccc(C)c(C(=O)CCC(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000029161069 820402955 /nfs/dbraw/zinc/40/29/55/820402955.db2.gz WWUATSLQOVULSJ-UHFFFAOYSA-N 1 0 392.543 4.219 20 0 GIADRO COc1ccc(C[NH+](C)C)cc1NC(=O)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000029165784 820403440 /nfs/dbraw/zinc/40/34/40/820403440.db2.gz IVARTAXCUDBHEO-UHFFFAOYSA-N 1 0 384.867 4.053 20 0 GIADRO O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000029173539 820405290 /nfs/dbraw/zinc/40/52/90/820405290.db2.gz KVCOITFCQFGVFJ-UHFFFAOYSA-N 1 0 391.490 4.491 20 0 GIADRO O=C(Cc1csc(-c2cccs2)n1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000029178849 820406928 /nfs/dbraw/zinc/40/69/28/820406928.db2.gz DHMRIWWXASLZIL-SFHVURJKSA-N 1 0 397.569 4.367 20 0 GIADRO O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1cc(F)ccc1Br ZINC000029178574 820407006 /nfs/dbraw/zinc/40/70/06/820407006.db2.gz DRQAWJQXCDRYPN-SFHVURJKSA-N 1 0 391.284 4.155 20 0 GIADRO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(OCC2CCCC2)CC1)c1ccc(F)cc1 ZINC000177496675 823476431 /nfs/dbraw/zinc/47/64/31/823476431.db2.gz JUNDFAYMCATDHU-IAGOWNOFSA-N 1 0 376.516 4.063 20 0 GIADRO Cn1ccnc1COc1ccc(C[NH+]2CCC(OCC3CCCC3)CC2)cc1 ZINC000177495862 823476480 /nfs/dbraw/zinc/47/64/80/823476480.db2.gz HHLRDILVPCWKCW-UHFFFAOYSA-N 1 0 383.536 4.170 20 0 GIADRO Cc1oc(-c2ccccc2)nc1CC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000029192804 820408963 /nfs/dbraw/zinc/40/89/63/820408963.db2.gz CYLBJMKMCWGHDO-QFIPXVFZSA-N 1 0 389.499 4.146 20 0 GIADRO COC(=O)c1ccc(NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000410368083 823477028 /nfs/dbraw/zinc/47/70/28/823477028.db2.gz VLZRSAWSEPLENJ-KRWDZBQOSA-N 1 0 395.503 4.027 20 0 GIADRO Cc1cc(OCCCC(=O)NCCCC[NH+]2CCC(C)CC2)ccc1Cl ZINC000058968003 823477080 /nfs/dbraw/zinc/47/70/80/823477080.db2.gz DUAFEBUGLAVERB-UHFFFAOYSA-N 1 0 380.960 4.436 20 0 GIADRO C[NH+](C)Cc1ccc(NC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)cc1 ZINC000029279397 820426296 /nfs/dbraw/zinc/42/62/96/820426296.db2.gz UZXSVIHATJKWCR-UHFFFAOYSA-N 1 0 386.455 4.446 20 0 GIADRO Cc1cc([C@H]2CCCN2C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)on1 ZINC000410371375 823478698 /nfs/dbraw/zinc/47/86/98/823478698.db2.gz DJKAHTNNZNBPDW-WIYYLYMNSA-N 1 0 396.535 4.404 20 0 GIADRO C[C@@H]1C[N@@H+](CCC2CCN(Cc3coc(-c4cccs4)n3)CC2)C[C@H](C)O1 ZINC000177506108 823478885 /nfs/dbraw/zinc/47/88/85/823478885.db2.gz VBMJQTQVYUEOGE-CALCHBBNSA-N 1 0 389.565 4.114 20 0 GIADRO C[C@@H]1CN(C(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)C[C@@H](c2ccsc2)O1 ZINC000573308841 823479120 /nfs/dbraw/zinc/47/91/20/823479120.db2.gz KUVGIFXMQHMSNK-LPTQZCDUSA-N 1 0 395.528 4.073 20 0 GIADRO Cc1ccc(C[C@@H]([NH2+][C@@H]2CCCN(CC(C)(C)C)C2=O)c2ccccn2)cc1 ZINC000460686190 823479152 /nfs/dbraw/zinc/47/91/52/823479152.db2.gz FFQMJWMVSMJBOX-FGZHOGPDSA-N 1 0 379.548 4.301 20 0 GIADRO O=C(Cc1ccc(Cl)cc1Cl)NCC1([NH+]2CCSCC2)CCCC1 ZINC000029371658 820445231 /nfs/dbraw/zinc/44/52/31/820445231.db2.gz UFMLIORNJXYONH-UHFFFAOYSA-N 1 0 387.376 4.014 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)Nc3ccccc3N(C)C)cc2)C1 ZINC000410374493 823479598 /nfs/dbraw/zinc/47/95/98/823479598.db2.gz ZLSKRPGKFZDWSQ-GOSISDBHSA-N 1 0 380.536 4.306 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)CCC(=O)c3ccc(C)cc3)c(C)c2)CC1 ZINC000029374959 820445870 /nfs/dbraw/zinc/44/58/70/820445870.db2.gz BKFQKEOZFMQAKB-UHFFFAOYSA-N 1 0 393.531 4.047 20 0 GIADRO COc1ccc([C@H](C)N(C)C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000123213001 823479682 /nfs/dbraw/zinc/47/96/82/823479682.db2.gz WINNEMAMWVTBBZ-PGRDOPGGSA-N 1 0 381.520 4.235 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)C1 ZINC000177512298 823479999 /nfs/dbraw/zinc/47/99/99/823479999.db2.gz MNHIAPMNAVHTJL-HNNXBMFYSA-N 1 0 398.473 4.111 20 0 GIADRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)CCSc1ccccc1F ZINC000058991189 823480297 /nfs/dbraw/zinc/48/02/97/823480297.db2.gz VLDVPXKTCFWWCY-UHFFFAOYSA-N 1 0 378.488 4.037 20 0 GIADRO Cc1nc(-c2ccccc2F)sc1C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000573328979 823480465 /nfs/dbraw/zinc/48/04/65/823480465.db2.gz ARZNBBBJHRHHGV-UHFFFAOYSA-N 1 0 389.540 4.450 20 0 GIADRO C[C@@H]1CCSCCN1C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000189711924 823480468 /nfs/dbraw/zinc/48/04/68/823480468.db2.gz GVXIREGQQYAAHO-QIIPPGSGSA-N 1 0 399.963 4.009 20 0 GIADRO COc1cccc([C@@H](CNC(=O)c2cc3cc(C)ccc3[nH]2)[NH+]2CCCC2)c1 ZINC000029504205 820464908 /nfs/dbraw/zinc/46/49/08/820464908.db2.gz AEMJAIANSLPIAI-JOCHJYFZSA-N 1 0 377.488 4.052 20 0 GIADRO Cc1cc(C(=O)CCC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)c(C)s1 ZINC000059003474 823481760 /nfs/dbraw/zinc/48/17/60/823481760.db2.gz ARLYNDOUEOWLSB-UHFFFAOYSA-N 1 0 390.524 4.057 20 0 GIADRO CC[NH+]1CCC(NC(=O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)CC1 ZINC000029608661 820483657 /nfs/dbraw/zinc/48/36/57/820483657.db2.gz VKPBZDMHSFPXDP-UHFFFAOYSA-N 1 0 397.466 4.351 20 0 GIADRO CC[NH+]1CCC(NC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)CC1 ZINC000029609056 820483679 /nfs/dbraw/zinc/48/36/79/820483679.db2.gz XUAQNJSREXSEBH-UHFFFAOYSA-N 1 0 381.501 4.284 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C)cc3)nc2)C1 ZINC000177527195 823482560 /nfs/dbraw/zinc/48/25/60/823482560.db2.gz VQVWUGCVTXKUAI-GOSISDBHSA-N 1 0 382.508 4.378 20 0 GIADRO O=C(C1CC[NH+](Cc2cc(-c3ccc(F)cc3)no2)CC1)N1CCCCCC1 ZINC000029707676 820502513 /nfs/dbraw/zinc/50/25/13/820502513.db2.gz HWOHVILUPAAEMP-UHFFFAOYSA-N 1 0 385.483 4.095 20 0 GIADRO Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000177534045 823484630 /nfs/dbraw/zinc/48/46/30/823484630.db2.gz TYNWJTDCHZKWAR-VXGBXAGGSA-N 1 0 385.455 4.226 20 0 GIADRO CC1(C)CC(NC(=O)COC(c2ccccc2)c2ccccc2)CC(C)(C)[NH2+]1 ZINC000029787665 820518518 /nfs/dbraw/zinc/51/85/18/820518518.db2.gz MNPRKMBDDWIDQV-UHFFFAOYSA-N 1 0 380.532 4.218 20 0 GIADRO O=C(Nc1cc(F)c(F)cc1N1CCCCC1)NC1CC([NH+]2CCCCC2)C1 ZINC000573371936 823485742 /nfs/dbraw/zinc/48/57/42/823485742.db2.gz POSNAGVBKZMHEM-UHFFFAOYSA-N 1 0 392.494 4.094 20 0 GIADRO CCOc1ccc(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c(C(F)(F)F)c1 ZINC000177539660 823485857 /nfs/dbraw/zinc/48/58/57/823485857.db2.gz IZONELDJBSPURZ-AWEZNQCLSA-N 1 0 385.430 4.054 20 0 GIADRO C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1)c1ccc(F)cc1 ZINC000029825633 820525967 /nfs/dbraw/zinc/52/59/67/820525967.db2.gz OHNPQVMJGFLMSL-XYJFISCASA-N 1 0 395.478 4.412 20 0 GIADRO C[C@@H](C(=O)Nc1ccccc1OC(F)F)[N@H+](C)CCCOc1ccccc1 ZINC000029854435 820532861 /nfs/dbraw/zinc/53/28/61/820532861.db2.gz VXCLUSHTAQVTJU-HNNXBMFYSA-N 1 0 378.419 4.016 20 0 GIADRO CCN(CCC[NH+]1CCCC1)C(=O)Nc1cc(F)c(Br)cc1F ZINC000189747154 823486848 /nfs/dbraw/zinc/48/68/48/823486848.db2.gz BDMJWGJJFRUABI-UHFFFAOYSA-N 1 0 390.272 4.067 20 0 GIADRO O=C(NCc1cccc(OCc2ccccc2)c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000410403384 823488111 /nfs/dbraw/zinc/48/81/11/823488111.db2.gz CHVKWCBILUDCAS-JOCHJYFZSA-N 1 0 393.531 4.035 20 0 GIADRO COc1cccc(OC)c1OCCCC[N@@H+]1C[C@H](c2ccccc2)OC[C@@H]1C ZINC000573402624 823488526 /nfs/dbraw/zinc/48/85/26/823488526.db2.gz HYQUSLVIQOPNQU-PGRDOPGGSA-N 1 0 385.504 4.325 20 0 GIADRO O=S(=O)(N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1c(Cl)cccc1Cl ZINC000030004435 820566506 /nfs/dbraw/zinc/56/65/06/820566506.db2.gz WLLZQZNKUBPPMU-KRWDZBQOSA-N 1 0 399.343 4.109 20 0 GIADRO CCOC(=O)c1c(-c2ccco2)csc1NC(=O)C[N@H+](C)[C@@H](C)C(C)C ZINC000030149131 820579043 /nfs/dbraw/zinc/57/90/43/820579043.db2.gz IAAINLOLXBATPP-ZDUSSCGKSA-N 1 0 378.494 4.100 20 0 GIADRO Cc1cccc(-c2noc(CN3CCC[N@H+](Cc4ccccc4C)CC3)n2)c1 ZINC000030154316 820580515 /nfs/dbraw/zinc/58/05/15/820580515.db2.gz FANJGZMJZFYWPQ-UHFFFAOYSA-N 1 0 376.504 4.061 20 0 GIADRO Cc1ccccc1C[N@@H+]1CCCN(Cc2cc(-c3ccc(F)cc3)no2)CC1 ZINC000030154312 820580834 /nfs/dbraw/zinc/58/08/34/820580834.db2.gz KXNSJKBXCVCUEV-UHFFFAOYSA-N 1 0 379.479 4.497 20 0 GIADRO COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]Cc2ccc(OC)c(O)c2)c1 ZINC000177572684 823493932 /nfs/dbraw/zinc/49/39/32/823493932.db2.gz SCUPREHPDUWYCY-UHFFFAOYSA-N 1 0 395.503 4.318 20 0 GIADRO C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@@H]2C(=O)NC2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000410428511 823494858 /nfs/dbraw/zinc/49/48/58/823494858.db2.gz YMCBLNPRRYHHMN-SEVLPDGMSA-N 1 0 378.516 4.287 20 0 GIADRO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000573413335 823490957 /nfs/dbraw/zinc/49/09/57/823490957.db2.gz ZERXGXXOGFFCMI-GOTSBHOMSA-N 1 0 379.548 4.390 20 0 GIADRO O=C(C[N@H+](CC1CCCCC1)C1CC1)Nc1cc2c(cc1Cl)OCCCO2 ZINC000059390903 823495043 /nfs/dbraw/zinc/49/50/43/823495043.db2.gz JQQWPVCFQWDYEI-UHFFFAOYSA-N 1 0 392.927 4.485 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(F)cc2F)ccc1OC(C)C ZINC000030492721 820623292 /nfs/dbraw/zinc/62/32/92/820623292.db2.gz VGFSCOOEAYXINZ-UONOGXRCSA-N 1 0 392.446 4.438 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)c2ncoc2-c2ccc(C)cc2)c1 ZINC000460723427 823495095 /nfs/dbraw/zinc/49/50/95/823495095.db2.gz AAKPJKFZKMJVBL-UHFFFAOYSA-N 1 0 377.488 4.422 20 0 GIADRO COc1cc([C@@H](C)[NH2+]C[C@@H](O)COc2ccc(C)cc2C)ccc1OC(C)C ZINC000030533497 820633968 /nfs/dbraw/zinc/63/39/68/820633968.db2.gz IFABRIFZENKWOL-UYAOXDASSA-N 1 0 387.520 4.190 20 0 GIADRO COc1cc([C@@H](C)[NH2+]C[C@H](O)COc2c(C)cccc2C)ccc1OC(C)C ZINC000030533629 820634131 /nfs/dbraw/zinc/63/41/31/820634131.db2.gz BRZZUGBCKFIPOF-QUCCMNQESA-N 1 0 387.520 4.190 20 0 GIADRO COc1ccc(CC[NH2+]Cc2ccc(OC)c(OCc3cccnc3)c2)cc1 ZINC000030543550 820636473 /nfs/dbraw/zinc/63/64/73/820636473.db2.gz VZEMRQIWLCCYDK-UHFFFAOYSA-N 1 0 378.472 4.010 20 0 GIADRO COc1ccc(C[NH2+]CC2(N(C)C)CCCCC2)cc1OCc1cccnc1 ZINC000030545065 820637325 /nfs/dbraw/zinc/63/73/25/820637325.db2.gz NNNJWXMFAPKXLH-UHFFFAOYSA-N 1 0 383.536 4.023 20 0 GIADRO O=C(CCc1ccc(OC(F)F)cc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000030565498 820642031 /nfs/dbraw/zinc/64/20/31/820642031.db2.gz WBOXAAHNIXQQRM-UHFFFAOYSA-N 1 0 388.458 4.133 20 0 GIADRO CC1CC[NH+](CCCNC(=O)c2ccccc2SCc2cscn2)CC1 ZINC000030564956 820642067 /nfs/dbraw/zinc/64/20/67/820642067.db2.gz VZVQEGBHXMRNRU-UHFFFAOYSA-N 1 0 389.590 4.287 20 0 GIADRO COc1ccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc1OC(C)C ZINC000189779901 823492950 /nfs/dbraw/zinc/49/29/50/823492950.db2.gz BAVXHGXNRDRNMY-WIYYLYMNSA-N 1 0 383.492 4.049 20 0 GIADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2cccnc2SCc2ccc(F)cc2)C1 ZINC000177577773 823495218 /nfs/dbraw/zinc/49/52/18/823495218.db2.gz LGYOYFYRNJKASQ-MSOLQXFVSA-N 1 0 387.524 4.116 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1cccc(OC(F)(F)F)c1)c1ccc(F)cc1 ZINC000059356722 823493261 /nfs/dbraw/zinc/49/32/61/823493261.db2.gz UFQBVHQATBUOQP-MRXNPFEDSA-N 1 0 385.361 4.149 20 0 GIADRO Cc1nc(C)c(C[NH2+]Cc2cccc(C(=O)NCc3ccc(C)cc3)c2)s1 ZINC000123318764 823495497 /nfs/dbraw/zinc/49/54/97/823495497.db2.gz VCNIDVCWGIQVBA-UHFFFAOYSA-N 1 0 379.529 4.288 20 0 GIADRO c1c(C[NH2+]CCOCc2ccccc2)c(-c2cccnc2)nn1Cc1ccccc1 ZINC000177581773 823495774 /nfs/dbraw/zinc/49/57/74/823495774.db2.gz QETMTICGQVKXBG-UHFFFAOYSA-N 1 0 398.510 4.300 20 0 GIADRO COc1cc(C[NH2+]CCc2cn3ccccc3n2)ccc1OCc1ccccc1 ZINC000030661495 820660547 /nfs/dbraw/zinc/66/05/47/820660547.db2.gz ZPKXCVFQMKZCEA-UHFFFAOYSA-N 1 0 387.483 4.254 20 0 GIADRO COc1cc(C[NH2+]CCc2csc(C)n2)cc(OC)c1OCc1ccccc1 ZINC000030662773 820660639 /nfs/dbraw/zinc/66/06/39/820660639.db2.gz CQXJQARFHSOIOE-UHFFFAOYSA-N 1 0 398.528 4.380 20 0 GIADRO Cc1n[nH]cc1CCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000030667117 820661707 /nfs/dbraw/zinc/66/17/07/820661707.db2.gz IEJRKUBYRQQJJI-UHFFFAOYSA-N 1 0 389.478 4.432 20 0 GIADRO C[NH+](C)CCOc1ccc(CNC(=O)c2ccc(-c3ccc(F)cc3)s2)cc1 ZINC000059420017 823495921 /nfs/dbraw/zinc/49/59/21/823495921.db2.gz JEYIYQPFPFUAFN-UHFFFAOYSA-N 1 0 398.503 4.425 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1cccc(OC)c1OC)c1ccccc1Cl ZINC000030713341 820669784 /nfs/dbraw/zinc/66/97/84/820669784.db2.gz XKJUJEKUYZHOCQ-GOSISDBHSA-N 1 0 390.911 4.170 20 0 GIADRO COc1ccccc1Nc1ncccc1C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000030772300 820680339 /nfs/dbraw/zinc/68/03/39/820680339.db2.gz WANRBUWTZCIEIZ-UHFFFAOYSA-N 1 0 376.460 4.148 20 0 GIADRO CC(C)c1cc(C(=O)Nc2ccc(C[NH+](C)C)cc2)c2cnn(C(C)C)c2n1 ZINC000030772099 820680384 /nfs/dbraw/zinc/68/03/84/820680384.db2.gz BBBULSMXEGLFTD-UHFFFAOYSA-N 1 0 379.508 4.450 20 0 GIADRO Cc1cccc(C(C)C)c1NC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000123332375 823497393 /nfs/dbraw/zinc/49/73/93/823497393.db2.gz RUWXNHUAHZOVCQ-UHFFFAOYSA-N 1 0 394.563 4.452 20 0 GIADRO Cc1ccccc1OCCCC(=O)Nc1ccc(C[NH2+]Cc2ccn(C)c2)cc1 ZINC000123334077 823497682 /nfs/dbraw/zinc/49/76/82/823497682.db2.gz CTZFYXWYGDSAHU-UHFFFAOYSA-N 1 0 391.515 4.421 20 0 GIADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)Cc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000410483277 823498500 /nfs/dbraw/zinc/49/85/00/823498500.db2.gz MPZWPDSXXXOEQT-FXAWDEMLSA-N 1 0 394.987 4.162 20 0 GIADRO Fc1ccc(-c2ccc(C[NH2+]Cc3ccnc(N4CCOCC4)c3)s2)cc1 ZINC000030900332 820704534 /nfs/dbraw/zinc/70/45/34/820704534.db2.gz XHUXFWFUWINOBU-UHFFFAOYSA-N 1 0 383.492 4.076 20 0 GIADRO Cc1ccc(COc2ccc(C[NH2+]Cc3ccnc(-n4cccn4)c3)cc2)cc1 ZINC000030901063 820705249 /nfs/dbraw/zinc/70/52/49/820705249.db2.gz OQSXJYZCHKGOCC-UHFFFAOYSA-N 1 0 384.483 4.445 20 0 GIADRO Cn1cc(C[NH2+]CC(C)(C)c2ccccc2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000030906032 820705820 /nfs/dbraw/zinc/70/58/20/820705820.db2.gz PXCSZXNZODEFFF-UHFFFAOYSA-N 1 0 391.515 4.316 20 0 GIADRO CCc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]Cc2ccnn2C)cc1 ZINC000030906845 820706106 /nfs/dbraw/zinc/70/61/06/820706106.db2.gz OROMJHJVRAAXIA-UHFFFAOYSA-N 1 0 385.515 4.184 20 0 GIADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)c2cccc3ccccc32)[C@@H](C)C1 ZINC000410480488 823498723 /nfs/dbraw/zinc/49/87/23/823498723.db2.gz ARRMETJLQRGEQB-WMZHIEFXSA-N 1 0 396.575 4.371 20 0 GIADRO COc1ccc(C[NH2+][C@H]2CCCc3c2cnn3C)cc1OCc1ccccc1 ZINC000030908599 820706750 /nfs/dbraw/zinc/70/67/50/820706750.db2.gz NJLYTMJTXDYQCN-FQEVSTJZSA-N 1 0 377.488 4.175 20 0 GIADRO Cc1nn(C)c(Cl)c1C[NH2+]C[C@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000030910874 820707410 /nfs/dbraw/zinc/70/74/10/820707410.db2.gz URFCGCUEKUMXNE-MRXNPFEDSA-N 1 0 385.314 4.101 20 0 GIADRO Cc1c([C@H](C)[NH2+]Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)cnn1C ZINC000030909554 820707539 /nfs/dbraw/zinc/70/75/39/820707539.db2.gz LDPZRBGDQLDNGI-AWEZNQCLSA-N 1 0 382.895 4.485 20 0 GIADRO O=C(Nc1ccc(Br)cc1F)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000030938486 820710425 /nfs/dbraw/zinc/71/04/25/820710425.db2.gz GZPYWSSHYAOUBY-OAHLLOKOSA-N 1 0 391.284 4.439 20 0 GIADRO Cc1ccccc1C[N@@H+]1CCCN(Cc2nc(-c3ccccc3C)no2)CC1 ZINC000030970698 820712908 /nfs/dbraw/zinc/71/29/08/820712908.db2.gz HZODAJCOLPZUGT-UHFFFAOYSA-N 1 0 376.504 4.061 20 0 GIADRO Cc1cc(C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)nc(-c2ccc(Cl)cc2)n1 ZINC000123344975 823499453 /nfs/dbraw/zinc/49/94/53/823499453.db2.gz HWCDPVQCVHARJB-IBGZPJMESA-N 1 0 398.938 4.196 20 0 GIADRO CC[C@H](NC(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1)c1ccccc1OC ZINC000031106567 820744926 /nfs/dbraw/zinc/74/49/26/820744926.db2.gz WSOODHGKQSOJKH-NRFANRHFSA-N 1 0 395.547 4.282 20 0 GIADRO CN(C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1)[C@@H]1CCSC1 ZINC000123391985 823504690 /nfs/dbraw/zinc/50/46/90/823504690.db2.gz FKMYJTDXFGCCQV-HXUWFJFHSA-N 1 0 375.582 4.098 20 0 GIADRO Cc1cc(C)c(Br)c(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000460756406 823505031 /nfs/dbraw/zinc/50/50/31/823505031.db2.gz JPXFVQAIZTWPFO-QGZVFWFLSA-N 1 0 375.310 4.099 20 0 GIADRO CC[C@@H](NC(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1ccc(OC)cc1 ZINC000031149351 820754603 /nfs/dbraw/zinc/75/46/03/820754603.db2.gz BQZFVBCHZARNGL-HSZRJFAPSA-N 1 0 395.547 4.153 20 0 GIADRO CC(C)[C@@H](NC(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000031149307 820754684 /nfs/dbraw/zinc/75/46/84/820754684.db2.gz BLVQPKODRQKPSS-HSZRJFAPSA-N 1 0 379.548 4.390 20 0 GIADRO CSc1ccc([C@@H](C)NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000031150116 820754818 /nfs/dbraw/zinc/75/48/18/820754818.db2.gz FRCHPVWRINXTIX-GOSISDBHSA-N 1 0 397.588 4.476 20 0 GIADRO COc1ccc(OC)c([C@H]2CCCN2C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC000177635215 823505268 /nfs/dbraw/zinc/50/52/68/823505268.db2.gz AMZMADVSGAFHBD-LAUBAEHRSA-N 1 0 386.536 4.022 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)c2scnc2C(F)(F)F)[C@H]1c1cccs1 ZINC000410517102 823500800 /nfs/dbraw/zinc/50/08/00/823500800.db2.gz WECQDLYVQIJUTH-PWSUYJOCSA-N 1 0 389.468 4.036 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2c(F)ccc(SCC3CC3)c2F)[C@H](C)C1 ZINC000410513455 823500919 /nfs/dbraw/zinc/50/09/19/823500919.db2.gz MHBQXAIPZAHMKQ-CJNGLKHVSA-N 1 0 382.520 4.269 20 0 GIADRO O=C(Nc1cc2c(cc1Cl)OCCCO2)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000177612775 823501186 /nfs/dbraw/zinc/50/11/86/823501186.db2.gz NLZHJCJHLARKKA-AWEZNQCLSA-N 1 0 378.900 4.094 20 0 GIADRO CC1CC[NH+](Cc2ccc(CNC(=O)c3ccc(-n4cccn4)cc3)cc2)CC1 ZINC000031201319 820767668 /nfs/dbraw/zinc/76/76/68/820767668.db2.gz DRHWTEIUEFUAAI-UHFFFAOYSA-N 1 0 388.515 4.034 20 0 GIADRO Cc1cccc2nc(C3CC[NH+]([C@H](C)C(=O)NCc4ccccc4)CC3)oc21 ZINC000189818141 823501247 /nfs/dbraw/zinc/50/12/47/823501247.db2.gz BDHVTRDDBBVINI-QGZVFWFLSA-N 1 0 377.488 4.021 20 0 GIADRO COc1cccc([C@H](CNC(=O)c2sc(-c3ccc(C)o3)nc2C)[NH+](C)C)c1 ZINC000031209808 820769506 /nfs/dbraw/zinc/76/95/06/820769506.db2.gz DVQXLMNASBYVCG-KRWDZBQOSA-N 1 0 399.516 4.061 20 0 GIADRO O=C(c1cc2c(cccc2OC(F)F)[nH]1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000031225192 820773594 /nfs/dbraw/zinc/77/35/94/820773594.db2.gz AWKPQZQOXZLYPM-UHFFFAOYSA-N 1 0 399.441 4.117 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000059886152 823501551 /nfs/dbraw/zinc/50/15/51/823501551.db2.gz FRUVLNBIHBPHSW-GOSISDBHSA-N 1 0 378.875 4.056 20 0 GIADRO O=C(CC[N@@H+](Cc1ccco1)C[C@@H]1CCCO1)Nc1cccc2ccccc21 ZINC000060038967 823505776 /nfs/dbraw/zinc/50/57/76/823505776.db2.gz DXQDLTBVFJUXRF-FQEVSTJZSA-N 1 0 378.472 4.443 20 0 GIADRO C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N1CCC(CCC[NH+](C)C)CC1 ZINC000123362841 823501655 /nfs/dbraw/zinc/50/16/55/823501655.db2.gz MNYHZRJIVJZLSW-AWEZNQCLSA-N 1 0 386.367 4.374 20 0 GIADRO Cc1sc2ncnc(SCC(=O)Nc3ccccc3C[NH+](C)C)c2c1C ZINC000031232945 820775697 /nfs/dbraw/zinc/77/56/97/820775697.db2.gz YBWPHNNSJPEIEU-UHFFFAOYSA-N 1 0 386.546 4.101 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)NCc2ccc(OC(C)C)c(OC)c2)cc1 ZINC000031237463 820776570 /nfs/dbraw/zinc/77/65/70/820776570.db2.gz REGSXUISJVXSAS-UHFFFAOYSA-N 1 0 384.520 4.254 20 0 GIADRO C[N@H+](Cc1ccccc1CNC(=O)CCc1ccccc1O)C1CCCCC1 ZINC000059888563 823501869 /nfs/dbraw/zinc/50/18/69/823501869.db2.gz NOUHEBJIYOTFQK-UHFFFAOYSA-N 1 0 380.532 4.406 20 0 GIADRO Cc1cc(C(=O)Nc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)ccc1-n1cncn1 ZINC000460743377 823502177 /nfs/dbraw/zinc/50/21/77/823502177.db2.gz OAPQIVIMRSZCEP-SFHVURJKSA-N 1 0 389.503 4.202 20 0 GIADRO Cc1ccc(-c2cc(C(=O)N[C@H]3CCC[N@H+](Cc4ccccc4)C3)on2)cc1 ZINC000031415948 820808031 /nfs/dbraw/zinc/80/80/31/820808031.db2.gz XMVPWQHBHZFQBX-FQEVSTJZSA-N 1 0 375.472 4.044 20 0 GIADRO CC(C)O[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000410551565 823503606 /nfs/dbraw/zinc/50/36/06/823503606.db2.gz ZYNOTDQIJJXTNM-PMOQBDJRSA-N 1 0 380.532 4.180 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)NCc2csc(Br)c2)cc1 ZINC000031422769 820809433 /nfs/dbraw/zinc/80/94/33/820809433.db2.gz RZOKCHRVOWVUEJ-UHFFFAOYSA-N 1 0 381.339 4.282 20 0 GIADRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccnc1 ZINC000060063495 823506557 /nfs/dbraw/zinc/50/65/57/823506557.db2.gz FZMUDHRFVNGOTG-UHFFFAOYSA-N 1 0 381.307 4.374 20 0 GIADRO Cc1cccc(N2CC[NH+](CCCNC(=O)[C@H](C)c3cccc(Cl)c3)CC2)c1 ZINC000460767694 823507054 /nfs/dbraw/zinc/50/70/54/823507054.db2.gz JTGJAURONVCSTM-LJQANCHMSA-N 1 0 399.966 4.080 20 0 GIADRO COc1ccc2c(CC(=O)NCc3ccccc3C[NH+]3CCCCC3)coc2c1 ZINC000031524663 820820975 /nfs/dbraw/zinc/82/09/75/820820975.db2.gz PDTHBMQXGFXPCS-UHFFFAOYSA-N 1 0 392.499 4.286 20 0 GIADRO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1c[nH]nc1-c1ccc(Cl)cc1 ZINC000031544290 820823279 /nfs/dbraw/zinc/82/32/79/820823279.db2.gz AZGCZOGOAJDHJZ-LJQANCHMSA-N 1 0 394.906 4.125 20 0 GIADRO COc1cc(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)ccc1OCC(C)C ZINC000031566196 820826868 /nfs/dbraw/zinc/82/68/68/820826868.db2.gz FZRMIKQDKQTJJG-NRFANRHFSA-N 1 0 396.531 4.124 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@@H](c1nc(C2CC2)no1)C(C)C)CC3 ZINC000123424011 823507813 /nfs/dbraw/zinc/50/78/13/823507813.db2.gz RZXQUVZFAAKXAJ-VBKZILBWSA-N 1 0 380.492 4.281 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1ccccc1OC[C@@H]1CCCO1 ZINC000031619948 820835038 /nfs/dbraw/zinc/83/50/38/820835038.db2.gz GMSYJOSSJMGWTL-NRFANRHFSA-N 1 0 394.515 4.483 20 0 GIADRO CC(=O)c1ccc(NC(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000031660656 820840381 /nfs/dbraw/zinc/84/03/81/820840381.db2.gz IDFQPSPCTXUTQM-UHFFFAOYSA-N 1 0 379.504 4.443 20 0 GIADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cc(-c3ccncc3)nc3ccccc32)C1 ZINC000060207627 823512038 /nfs/dbraw/zinc/51/20/38/823512038.db2.gz USUDNTKVSXQZPA-GOSISDBHSA-N 1 0 388.515 4.147 20 0 GIADRO O=C(NCc1ccccc1F)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000031723658 820852165 /nfs/dbraw/zinc/85/21/65/820852165.db2.gz VIHQBCXVTKWHMM-IBGZPJMESA-N 1 0 375.875 4.115 20 0 GIADRO Cc1ccccc1C[N@H+]1CCCN(C(=O)c2cnc3onc(C(C)C)c3c2)CC1 ZINC000031765630 820856763 /nfs/dbraw/zinc/85/67/63/820856763.db2.gz CHTZQXIEDGQNHP-UHFFFAOYSA-N 1 0 392.503 4.003 20 0 GIADRO Cc1ccc([C@H](CNC(=O)c2ccnc(OCc3ccccc3)c2)[NH+](C)C)cc1 ZINC000060155648 823510074 /nfs/dbraw/zinc/51/00/74/823510074.db2.gz LGSKMHXEOWQGCS-QFIPXVFZSA-N 1 0 389.499 4.002 20 0 GIADRO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(C(F)(F)F)c1 ZINC000060159779 823510500 /nfs/dbraw/zinc/51/05/00/823510500.db2.gz PASHPHLSTRRFIH-QGZVFWFLSA-N 1 0 376.422 4.347 20 0 GIADRO Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC[NH+]3CCCC3)cc2)c(C)c1 ZINC000031855071 820867855 /nfs/dbraw/zinc/86/78/55/820867855.db2.gz ISXJKCIHPOHNMN-LTGZKZEYSA-N 1 0 389.499 4.324 20 0 GIADRO CC[NH+](CC)CCCCNC(=O)[C@H](C)Sc1ccc(Br)cc1 ZINC000031867030 820868488 /nfs/dbraw/zinc/86/84/88/820868488.db2.gz XDAZHCTXMVRLMJ-AWEZNQCLSA-N 1 0 387.387 4.168 20 0 GIADRO C[C@H](Sc1ccnc2cc(Cl)ccc21)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000177678092 823512381 /nfs/dbraw/zinc/51/23/81/823512381.db2.gz OIJKPGKHNZUFHS-IMJJTQAJSA-N 1 0 389.952 4.064 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCCc1csc(C)n1 ZINC000177670501 823511303 /nfs/dbraw/zinc/51/13/03/823511303.db2.gz QXKMXUCADNDMTD-HXUWFJFHSA-N 1 0 385.577 4.145 20 0 GIADRO CC(C)(C)N(Cc1ccccn1)C(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000410733525 823511403 /nfs/dbraw/zinc/51/14/03/823511403.db2.gz PHHVVMQSAVEZLA-HZPDHXFCSA-N 1 0 385.474 4.118 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1c[nH]nc1-c1ccc(F)cc1)c1ccsc1 ZINC000031984910 820883791 /nfs/dbraw/zinc/88/37/91/820883791.db2.gz PYSXNRGLWVFVTN-SFHVURJKSA-N 1 0 386.496 4.090 20 0 GIADRO O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1nccc2ccccc21 ZINC000060196754 823511568 /nfs/dbraw/zinc/51/15/68/823511568.db2.gz ILYCQBIEYAZPOQ-HXUWFJFHSA-N 1 0 379.891 4.455 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)[C@H](C)Oc1cccc(Cl)c1)c1ccsc1 ZINC000031988125 820885419 /nfs/dbraw/zinc/88/54/19/820885419.db2.gz RFTMFFOCVDWBPS-KSSFIOAISA-N 1 0 380.941 4.368 20 0 GIADRO O=C(/C=C/Sc1ccccc1)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000177673038 823511680 /nfs/dbraw/zinc/51/16/80/823511680.db2.gz DFCPCBBNHHKVKU-SDNWHVSQSA-N 1 0 382.529 4.135 20 0 GIADRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N1CCC[C@@H]1c1cccn1C ZINC000177673346 823511738 /nfs/dbraw/zinc/51/17/38/823511738.db2.gz CBIIJCPFRUDGGH-WOIUINJBSA-N 1 0 394.563 4.028 20 0 GIADRO CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cccc(C(N)=O)c1 ZINC000189910554 823512804 /nfs/dbraw/zinc/51/28/04/823512804.db2.gz LGADCCPWMLRETJ-HXUWFJFHSA-N 1 0 395.503 4.300 20 0 GIADRO CCOC(=O)c1csc(CC[NH2+][C@@H](C)c2ccc3cc(OC)ccc3c2)n1 ZINC000189915452 823513468 /nfs/dbraw/zinc/51/34/68/823513468.db2.gz ODTBZVASSKNLAX-AWEZNQCLSA-N 1 0 384.501 4.375 20 0 GIADRO O=C(CC1CC[NH+](CCCc2ccc(C(F)(F)F)cc2)CC1)N1CCCC1 ZINC000177686664 823513549 /nfs/dbraw/zinc/51/35/49/823513549.db2.gz IKYHCSOCTZFOOT-UHFFFAOYSA-N 1 0 382.470 4.363 20 0 GIADRO CC[NH2+]Cc1cccc(NC(=O)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)c1 ZINC000123483825 823513546 /nfs/dbraw/zinc/51/35/46/823513546.db2.gz SNXZJNIGSNTHNW-UHFFFAOYSA-N 1 0 396.922 4.433 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)CCC(=O)c1ccc2ccccc2c1)Cc1ccccc1 ZINC000032216754 820903476 /nfs/dbraw/zinc/90/34/76/820903476.db2.gz PSAVGYFMEODFGJ-HSZRJFAPSA-N 1 0 388.511 4.092 20 0 GIADRO CC(C)Cn1ncc2cc(C(=O)Nc3cccc(C[NH+]4CCCCC4)c3)cnc21 ZINC000060272850 823514000 /nfs/dbraw/zinc/51/40/00/823514000.db2.gz IXNKHJOTCWACPD-UHFFFAOYSA-N 1 0 391.519 4.326 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(OC)cc1OC)c1ccccc1Cl ZINC000032316026 820913459 /nfs/dbraw/zinc/91/34/59/820913459.db2.gz SUDAPOVXSABJMM-IBGZPJMESA-N 1 0 390.911 4.170 20 0 GIADRO OCC[C@@H]1CCC[C@H]1[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000189935402 823515512 /nfs/dbraw/zinc/51/55/12/823515512.db2.gz IRPSUWSOLZDDEO-AZUAARDMSA-N 1 0 381.545 4.301 20 0 GIADRO COC(=O)[C@](C)(C[NH2+][C@H](C)C(=O)Nc1c(C)cccc1C(C)C)c1ccccc1 ZINC000189939877 823516174 /nfs/dbraw/zinc/51/61/74/823516174.db2.gz GUUWTUAUYQCRDA-HOYKHHGWSA-N 1 0 396.531 4.166 20 0 GIADRO COC(=O)[C@@](C)(C[NH2+][C@@H](C)C(=O)Nc1c(C)cccc1C(C)C)c1ccccc1 ZINC000189939861 823516271 /nfs/dbraw/zinc/51/62/71/823516271.db2.gz GUUWTUAUYQCRDA-UUOWRZLLSA-N 1 0 396.531 4.166 20 0 GIADRO CCOc1ccc(C(=O)NC[C@@H](CC)[N@@H+]2CCc3ccccc3C2)cc1OCC ZINC000032445943 820946048 /nfs/dbraw/zinc/94/60/48/820946048.db2.gz GMTPBLITSMYZIQ-OAQYLSRUSA-N 1 0 396.531 4.051 20 0 GIADRO Cc1sc(-c2ccco2)nc1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000032464521 820950005 /nfs/dbraw/zinc/95/00/05/820950005.db2.gz CQOMJDQGQRQXPE-UHFFFAOYSA-N 1 0 381.501 4.237 20 0 GIADRO O=C(NC1CCCCC1)N1CCC([NH2+]C2CCC(C(F)(F)F)CC2)CC1 ZINC000123518558 823516615 /nfs/dbraw/zinc/51/66/15/823516615.db2.gz BPDCPYKPZZGBKH-UHFFFAOYSA-N 1 0 375.479 4.204 20 0 GIADRO Cc1nc(C)c([C@H](C)[NH2+]C[C@@H](c2ccccc2Cl)N2CCOCC2)s1 ZINC000177723430 823516861 /nfs/dbraw/zinc/51/68/61/823516861.db2.gz MMFHVVHJMQASIX-UGSOOPFHSA-N 1 0 379.957 4.137 20 0 GIADRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCc1noc(-c2ccsc2)n1 ZINC000189953374 823517414 /nfs/dbraw/zinc/51/74/14/823517414.db2.gz DXVDSLULNCHDTO-HZPDHXFCSA-N 1 0 382.533 4.044 20 0 GIADRO Cc1ccc(C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)cc1NC(=O)c1ccco1 ZINC000060395468 823523638 /nfs/dbraw/zinc/52/36/38/823523638.db2.gz CYNIAEFRGMIGNB-UHFFFAOYSA-N 1 0 397.519 4.033 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@@H](C)Cc2cccs2)ccc1S(=O)(=O)C(F)F ZINC000177742724 823519213 /nfs/dbraw/zinc/51/92/13/823519213.db2.gz ODRDDXLAMFIISI-RYUDHWBXSA-N 1 0 389.489 4.035 20 0 GIADRO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000032638248 820982471 /nfs/dbraw/zinc/98/24/71/820982471.db2.gz PQRDPFCLGDSMQF-FZMZJTMJSA-N 1 0 387.332 4.241 20 0 GIADRO CCN(C(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C)[C@H](C)Cc1ccsc1 ZINC000189972399 823519739 /nfs/dbraw/zinc/51/97/39/823519739.db2.gz IPOAXMKDHDIUNO-OXQOHEQNSA-N 1 0 389.565 4.022 20 0 GIADRO CCOc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1cccc(N3CCOC3=O)c1)CCO2 ZINC000177747991 823520007 /nfs/dbraw/zinc/52/00/07/823520007.db2.gz MMGZYZQBHMNMTR-FOIQADDNSA-N 1 0 382.460 4.216 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1ccccc1Cc1ccccc1)c1cccc(F)c1 ZINC000032730542 820998810 /nfs/dbraw/zinc/99/88/10/820998810.db2.gz ZQWZMQHRZSVFMF-QHCPKHFHSA-N 1 0 376.475 4.449 20 0 GIADRO COc1cc(Br)ccc1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1ccccc1C ZINC000189976844 823520401 /nfs/dbraw/zinc/52/04/01/823520401.db2.gz GLVQCTOGQLEHQR-ZIAGYGMSSA-N 1 0 391.309 4.444 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1cc(-c2ccccc2Cl)on1)c1cccc(F)c1 ZINC000032731795 820999697 /nfs/dbraw/zinc/99/96/97/820999697.db2.gz VIYSIBDMBGTBAD-SFHVURJKSA-N 1 0 387.842 4.167 20 0 GIADRO CCc1ccc([C@@H](CNC(=O)Cc2nc(-c3ccccc3)oc2C)[NH+](C)C)cc1 ZINC000032734324 821000366 /nfs/dbraw/zinc/00/03/66/821000366.db2.gz NSPZXXNXDCWMSX-JOCHJYFZSA-N 1 0 391.515 4.174 20 0 GIADRO CCc1ccc([C@@H](CNC(=O)c2cnn(-c3ccccc3C)c2C)[NH+](C)C)cc1 ZINC000032735116 821000803 /nfs/dbraw/zinc/00/08/03/821000803.db2.gz NWRCDAACIOVXJK-HSZRJFAPSA-N 1 0 390.531 4.084 20 0 GIADRO CCCc1cccc(C(C)C)c1NC(=O)NC1CC[NH+](CCCOC)CC1 ZINC000189978601 823520620 /nfs/dbraw/zinc/52/06/20/823520620.db2.gz GOMGAIINMJGLNV-UHFFFAOYSA-N 1 0 375.557 4.385 20 0 GIADRO CCCc1cccc(C(C)C)c1NC(=O)N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000189978181 823520660 /nfs/dbraw/zinc/52/06/60/823520660.db2.gz UFGKBJUCQPMMEL-FQEVSTJZSA-N 1 0 386.584 4.006 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]Cc2ccccc2-n2nc(C)cc2C)cc1NC(C)=O ZINC000123553943 823520798 /nfs/dbraw/zinc/52/07/98/823520798.db2.gz XFTLXMRSYTZNPX-QGZVFWFLSA-N 1 0 392.503 4.307 20 0 GIADRO O=C(Cc1ccc(C(F)(F)F)cc1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000032762206 821004399 /nfs/dbraw/zinc/00/43/99/821004399.db2.gz NYASIXQMOYMIPS-INIZCTEOSA-N 1 0 382.451 4.263 20 0 GIADRO O=C(COc1ccc(Cl)cc1Cl)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000032763407 821005100 /nfs/dbraw/zinc/00/51/00/821005100.db2.gz FYFKWPXNTSRHRY-OAHLLOKOSA-N 1 0 399.343 4.387 20 0 GIADRO C[N@H+](CCCNC(=O)c1cc(-c2ccccc2Cl)on1)Cc1ccccc1 ZINC000032766076 821005682 /nfs/dbraw/zinc/00/56/82/821005682.db2.gz IGYAEZXJKOGDTR-UHFFFAOYSA-N 1 0 383.879 4.247 20 0 GIADRO CCCn1ncc(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)c1C1CC1 ZINC000123583753 823523816 /nfs/dbraw/zinc/52/38/16/823523816.db2.gz OQLOJKNTDAHXAT-SFHVURJKSA-N 1 0 394.563 4.332 20 0 GIADRO Cc1ccc(Sc2ncccc2C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c(C)c1 ZINC000060374149 823521153 /nfs/dbraw/zinc/52/11/53/823521153.db2.gz MNBQEPJXXVCKGR-GOSISDBHSA-N 1 0 381.545 4.160 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1csc(Cc2ccccc2)n1 ZINC000032799847 821009294 /nfs/dbraw/zinc/00/92/94/821009294.db2.gz ADBGPHYFQIISTQ-UHFFFAOYSA-N 1 0 391.540 4.260 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1F)c1ccc(OCC(F)(F)F)cc1 ZINC000177754816 823521275 /nfs/dbraw/zinc/52/12/75/823521275.db2.gz ZZEUXOYUWQUBIF-APPDUMDISA-N 1 0 375.337 4.290 20 0 GIADRO O=C(c1ccc(Cl)s1)C(C(=S)NC1CC1)[n+]1ccc2c(c1)CCCC2 ZINC000032813809 821010965 /nfs/dbraw/zinc/01/09/65/821010965.db2.gz AJEBZTNKXJDNLA-UHFFFAOYSA-O 1 0 391.969 4.259 20 0 GIADRO COc1cccc(C[C@H]([NH2+]Cc2ccc(Cn3cncn3)cc2)c2ccccc2)c1 ZINC000177772421 823523933 /nfs/dbraw/zinc/52/39/33/823523933.db2.gz YSIJMXSMENPCIQ-VWLOTQADSA-N 1 0 398.510 4.409 20 0 GIADRO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1cccc(OCc2cccs2)c1 ZINC000033017759 821026793 /nfs/dbraw/zinc/02/67/93/821026793.db2.gz PVGWTZJZYRDOMF-UHFFFAOYSA-N 1 0 392.524 4.115 20 0 GIADRO CC(=O)c1ccc(-c2ccc(C(=O)NCc3cccc(C[NH+](C)C)c3)o2)cc1 ZINC000033084691 821032058 /nfs/dbraw/zinc/03/20/58/821032058.db2.gz KNILFBROSISCGS-UHFFFAOYSA-N 1 0 376.456 4.141 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)c2cc(C)c(OCc3cccnc3)c(C)c2)CC1 ZINC000060404052 823524060 /nfs/dbraw/zinc/52/40/60/823524060.db2.gz OSPWCIUGQKFLNX-UHFFFAOYSA-N 1 0 395.547 4.224 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)c2csc(-c3cccs3)n2)CC1 ZINC000123574931 823522945 /nfs/dbraw/zinc/52/29/45/823522945.db2.gz ROMTXWGNUKIVLI-UHFFFAOYSA-N 1 0 377.579 4.456 20 0 GIADRO Cc1ccc(-c2nc(C)c(C(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3)s2)o1 ZINC000033158279 821040498 /nfs/dbraw/zinc/04/04/98/821040498.db2.gz FUCIEMKHAVERRF-UHFFFAOYSA-N 1 0 396.516 4.024 20 0 GIADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)CCSc2ccccc2Cl)o1 ZINC000060407592 823524214 /nfs/dbraw/zinc/52/42/14/823524214.db2.gz MSPIBRQFUPZJGK-UHFFFAOYSA-N 1 0 380.941 4.314 20 0 GIADRO CN(C(=O)Nc1cccc2ccn(C)c21)C1CC[NH+](Cc2ccccc2)CC1 ZINC000190024357 823527536 /nfs/dbraw/zinc/52/75/36/823527536.db2.gz QMIGHWUQLBUTKM-UHFFFAOYSA-N 1 0 376.504 4.307 20 0 GIADRO CCS[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000190025132 823527731 /nfs/dbraw/zinc/52/77/31/823527731.db2.gz VMHNAOKWMIZWAA-OALUTQOASA-N 1 0 386.565 4.082 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1csc(-c2ccccc2Cl)n1 ZINC000177802717 823527843 /nfs/dbraw/zinc/52/78/43/823527843.db2.gz IVQHTMZGPXJPQG-CVEARBPZSA-N 1 0 389.952 4.091 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)CSc2ccc(Cl)cc2)CC1 ZINC000033826545 821060527 /nfs/dbraw/zinc/06/05/27/821060527.db2.gz XTKMQXGOJBDVEG-UHFFFAOYSA-N 1 0 389.952 4.213 20 0 GIADRO C[NH+](C)CCN(Cc1ccccc1)C(=O)Nc1cccc(Br)c1 ZINC000034929647 821063249 /nfs/dbraw/zinc/06/32/49/821063249.db2.gz SARGZJDNDYJYMY-UHFFFAOYSA-N 1 0 376.298 4.045 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1ccc(COc2ccc(F)cc2)o1)c1cccs1 ZINC000035982414 821067688 /nfs/dbraw/zinc/06/76/88/821067688.db2.gz CUWLXAFCCVBUTF-QGZVFWFLSA-N 1 0 388.464 4.092 20 0 GIADRO C[C@@H](O)C[N@H+](Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C1CCCCC1 ZINC000036207614 821070173 /nfs/dbraw/zinc/07/01/73/821070173.db2.gz RCZDOINAJZAXKT-OAHLLOKOSA-N 1 0 397.544 4.167 20 0 GIADRO CC1CC[NH+]([C@H](CNC(=O)Cc2c[nH]c3ccccc23)c2cccs2)CC1 ZINC000036310324 821071175 /nfs/dbraw/zinc/07/11/75/821071175.db2.gz NKBCIQZVOGPFME-HXUWFJFHSA-N 1 0 381.545 4.361 20 0 GIADRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc2ccc(Br)cc2[nH]1 ZINC000060452395 823529186 /nfs/dbraw/zinc/52/91/86/823529186.db2.gz LWDGFXGWKIZQDF-ZDUSSCGKSA-N 1 0 380.330 4.171 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(Br)s1)c1ccccc1 ZINC000036703164 821077763 /nfs/dbraw/zinc/07/77/63/821077763.db2.gz WIVXJVUBIIQDHK-CQSZACIVSA-N 1 0 381.339 4.324 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)CCC(=O)c3ccc(F)cc3)cc2)C1 ZINC000060414167 823524963 /nfs/dbraw/zinc/52/49/63/823524963.db2.gz XJRSQMXUYUYMNF-GOSISDBHSA-N 1 0 396.506 4.337 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)COc1ccc(C(C)C)c(C)c1 ZINC000036830014 821086547 /nfs/dbraw/zinc/08/65/47/821086547.db2.gz BBBKLLQLWRKTPC-UHFFFAOYSA-N 1 0 395.547 4.196 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)c1ccccc1C(F)(F)F)c1cccc(N2CCOC2=O)c1 ZINC000177779499 823525115 /nfs/dbraw/zinc/52/51/15/823525115.db2.gz DFPLMSOAXOISPX-SCLBCKFNSA-N 1 0 394.393 4.046 20 0 GIADRO COc1cccc(NC(=O)[C@@H]([NH2+]CCc2ccccc2F)c2ccccc2)c1 ZINC000038624513 821098365 /nfs/dbraw/zinc/09/83/65/821098365.db2.gz XZCORWUCXPOBBN-QFIPXVFZSA-N 1 0 378.447 4.346 20 0 GIADRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]C[C@@H](O)COc3ccccc3)s2)cc1 ZINC000177798109 823527217 /nfs/dbraw/zinc/52/72/17/823527217.db2.gz SBLASCAEPSIWSR-MAUKXSAKSA-N 1 0 398.528 4.218 20 0 GIADRO COC(=O)C[C@](C)([NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1)c1ccncc1 ZINC000190022920 823527262 /nfs/dbraw/zinc/52/72/62/823527262.db2.gz XBPMGYHOYFDJJW-KRWDZBQOSA-N 1 0 386.801 4.322 20 0 GIADRO Cc1nc([C@@H]2CCCN2C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cs1 ZINC000190056501 823531332 /nfs/dbraw/zinc/53/13/32/823531332.db2.gz MALOGKVWCIMRMU-FQEVSTJZSA-N 1 0 384.549 4.094 20 0 GIADRO Cc1ccc(-c2nn(Cc3ccccc3)cc2C[N@@H+]2CC[C@@H](O)[C@H](C)C2)cc1 ZINC000190055682 823531334 /nfs/dbraw/zinc/53/13/34/823531334.db2.gz QLESLTXAMPQDCF-AUSIDOKSSA-N 1 0 375.516 4.110 20 0 GIADRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cn(C(C)(C)C)nc1-c1ccc(F)cc1F ZINC000460865609 823531985 /nfs/dbraw/zinc/53/19/85/823531985.db2.gz PYVYELYHVXHSNR-AWEZNQCLSA-N 1 0 392.494 4.043 20 0 GIADRO COc1ccc(OCCC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000060475297 823532150 /nfs/dbraw/zinc/53/21/50/823532150.db2.gz LEZASJOMODOGLQ-LJQANCHMSA-N 1 0 396.531 4.155 20 0 GIADRO Cn1ccc2cccc(NC(=O)NC3CC[NH+](Cc4ccc(F)cc4)CC3)c21 ZINC000190084633 823535597 /nfs/dbraw/zinc/53/55/97/823535597.db2.gz JTHOFBQEDCQWBD-UHFFFAOYSA-N 1 0 380.467 4.104 20 0 GIADRO COc1cc(NC(=O)CC[N@@H+]2C[C@H](C)[C@H]2c2ccccc2)c(OC)cc1Cl ZINC000177830571 823532621 /nfs/dbraw/zinc/53/26/21/823532621.db2.gz GTPWRUDNKCQNGV-QKKBWIMNSA-N 1 0 388.895 4.379 20 0 GIADRO Cc1oc(-c2cccs2)nc1C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000060505364 823535663 /nfs/dbraw/zinc/53/56/63/823535663.db2.gz POBKWODINLZODX-UHFFFAOYSA-N 1 0 395.528 4.278 20 0 GIADRO CCC[N@@H+](CC(=O)NCC1(c2ccccc2)CCOCC1)CC1CCCCC1 ZINC000060495256 823534450 /nfs/dbraw/zinc/53/44/50/823534450.db2.gz WVHIFYIJDHGRTB-UHFFFAOYSA-N 1 0 386.580 4.143 20 0 GIADRO CN(Cc1ccc(Br)o1)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000041382940 821186435 /nfs/dbraw/zinc/18/64/35/821186435.db2.gz BWGYZVJVYJMTHE-UHFFFAOYSA-N 1 0 391.309 4.300 20 0 GIADRO COc1ccc(C[C@@H]([NH2+]Cc2ccnc(OC)c2)c2ccc(OC)cc2)cc1 ZINC000177841586 823534669 /nfs/dbraw/zinc/53/46/69/823534669.db2.gz HSHZWFVZHSFTTD-JOCHJYFZSA-N 1 0 378.472 4.181 20 0 GIADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000177842412 823534929 /nfs/dbraw/zinc/53/49/29/823534929.db2.gz WQBVSARJLBALBX-BXUZGUMPSA-N 1 0 379.888 4.418 20 0 GIADRO Cc1n[nH]cc1CCC[NH2+][C@@H](C)c1ccc(OC(F)F)cc1OC(F)F ZINC000177854348 823536772 /nfs/dbraw/zinc/53/67/72/823536772.db2.gz BWEXFFKJNNQVGH-NSHDSACASA-N 1 0 375.366 4.204 20 0 GIADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)Cc1cnc2ccccc2c1 ZINC000190105082 823537927 /nfs/dbraw/zinc/53/79/27/823537927.db2.gz YCFLYXAZVYUVPL-UHFFFAOYSA-N 1 0 381.545 4.209 20 0 GIADRO Cc1cc(/C=C(/C#N)C(=O)NCC[NH+]2CCCCC2)c(C)n1C1CCCCC1 ZINC000060522115 823538126 /nfs/dbraw/zinc/53/81/26/823538126.db2.gz ZTSHTYURBUIIJQ-PGMHBOJBSA-N 1 0 382.552 4.119 20 0 GIADRO CC[NH+](CC)CCN(C(=O)c1cccs1)c1cccc(Br)c1 ZINC000060548222 823541082 /nfs/dbraw/zinc/54/10/82/823541082.db2.gz SLBSRLNYDHJYGG-UHFFFAOYSA-N 1 0 381.339 4.499 20 0 GIADRO C[C@@H]([NH2+]C1CCN(C(=O)c2ccncc2)CC1)[C@@H](C)c1nc2ccccc2s1 ZINC000177885304 823541092 /nfs/dbraw/zinc/54/10/92/823541092.db2.gz IJHQCVCFQOLNKX-HZPDHXFCSA-N 1 0 394.544 4.078 20 0 GIADRO Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@H](C)c1ccc([S@](C)=O)cc1 ZINC000177870420 823538913 /nfs/dbraw/zinc/53/89/13/823538913.db2.gz SGBGHWUYNFDYQL-CRYYWNKWSA-N 1 0 381.545 4.202 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)c2c(F)cccc2F)CC1 ZINC000411071611 823541207 /nfs/dbraw/zinc/54/12/07/823541207.db2.gz IRDVRURGIFXACU-UHFFFAOYSA-N 1 0 380.822 4.344 20 0 GIADRO C[C@@H](Cc1cccc(Cl)c1)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000123771240 823539289 /nfs/dbraw/zinc/53/92/89/823539289.db2.gz CABMKSBOFKVYME-HNNXBMFYSA-N 1 0 387.911 4.048 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@H](C)c2ccc(SC)cc2)c1 ZINC000042021140 821254894 /nfs/dbraw/zinc/25/48/94/821254894.db2.gz PSWIMCJOGVUVJX-MRXNPFEDSA-N 1 0 399.560 4.066 20 0 GIADRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000177885794 823541280 /nfs/dbraw/zinc/54/12/80/823541280.db2.gz UISWVCFDTIAMGM-INIZCTEOSA-N 1 0 388.353 4.029 20 0 GIADRO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H](C)c1ccc([S@](C)=O)cc1 ZINC000177885998 823541283 /nfs/dbraw/zinc/54/12/83/823541283.db2.gz BLFCTZUYUJHPCM-SOHPYSCWSA-N 1 0 380.351 4.468 20 0 GIADRO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000177885979 823541296 /nfs/dbraw/zinc/54/12/96/823541296.db2.gz BLFCTZUYUJHPCM-QLEMLULZSA-N 1 0 380.351 4.468 20 0 GIADRO Cc1ccc(CNC(=O)[C@H](C)[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cc1 ZINC000123782448 823540295 /nfs/dbraw/zinc/54/02/95/823540295.db2.gz SDPYIEMPAHWUFO-HKUYNNGSSA-N 1 0 377.488 4.021 20 0 GIADRO CCN(C(=O)Cc1cc(C)ccc1OC)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000060543811 823540419 /nfs/dbraw/zinc/54/04/19/823540419.db2.gz OTRSKZAYOHLSRI-UGKGYDQZSA-N 1 0 380.532 4.230 20 0 GIADRO CCN(CC)C(=O)c1ccc(NC(=O)c2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000060551193 823541383 /nfs/dbraw/zinc/54/13/83/823541383.db2.gz IZJLKRACKQGXQH-UHFFFAOYSA-N 1 0 379.504 4.017 20 0 GIADRO CC[N@H+](CC(=O)Nc1cc(Cl)c(OC)cc1OC)Cc1ccccc1C ZINC000042133491 821272397 /nfs/dbraw/zinc/27/23/97/821272397.db2.gz YRZFPZPFYPMPGC-UHFFFAOYSA-N 1 0 376.884 4.126 20 0 GIADRO Cc1ccccc1CN(C)C(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000042132579 821272473 /nfs/dbraw/zinc/27/24/73/821272473.db2.gz MTTCCNVRRBLIBO-ICSRJNTNSA-N 1 0 391.515 4.363 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@H](C)C(=O)NCc2ccc(C)cc2)ccc1OC(C)C ZINC000042182950 821279458 /nfs/dbraw/zinc/27/94/58/821279458.db2.gz NVWYPLDPVCFGLO-QZTJIDSGSA-N 1 0 384.520 4.146 20 0 GIADRO COc1ccc(C(=O)Nc2cccc(CNC3CC[NH+](CC(C)C)CC3)c2)cc1 ZINC000042207483 821284413 /nfs/dbraw/zinc/28/44/13/821284413.db2.gz VMMDNOPUFMXBPD-UHFFFAOYSA-N 1 0 395.547 4.158 20 0 GIADRO COc1ncccc1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000042226275 821287784 /nfs/dbraw/zinc/28/77/84/821287784.db2.gz VBTYYZJKOGMYHL-UHFFFAOYSA-N 1 0 376.485 4.294 20 0 GIADRO CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H]2c2cccs2)c1 ZINC000042356084 821304084 /nfs/dbraw/zinc/30/40/84/821304084.db2.gz CWCYJXNIXJNZCE-VQIMIIECSA-N 1 0 399.560 4.394 20 0 GIADRO COc1ccc([C@H]2CCCN2C(=O)C[N@H+](C)[C@H](C)c2ccccc2)cc1OC ZINC000042473696 821308613 /nfs/dbraw/zinc/30/86/13/821308613.db2.gz KKFRAIRUBVKODT-YLJYHZDGSA-N 1 0 382.504 4.060 20 0 GIADRO CC[NH+](CC)CCC[C@H](C)NC(=O)CCc1ncc(-c2c(F)cccc2F)o1 ZINC000042538960 821310540 /nfs/dbraw/zinc/31/05/40/821310540.db2.gz LFMAUBNCMBUVAD-HNNXBMFYSA-N 1 0 393.478 4.179 20 0 GIADRO CCCNC(=O)C1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000042686780 821324434 /nfs/dbraw/zinc/32/44/34/821324434.db2.gz PTYVJPAIUAZWDY-UHFFFAOYSA-N 1 0 380.532 4.031 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)Cc1c(F)cccc1Cl ZINC000042698888 821325341 /nfs/dbraw/zinc/32/53/41/821325341.db2.gz IEHMINPEUTZJPX-UHFFFAOYSA-N 1 0 378.875 4.381 20 0 GIADRO CCCOc1ccc([C@H](C)NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1OC ZINC000042909880 821344185 /nfs/dbraw/zinc/34/41/85/821344185.db2.gz IQDMMLRNXPGWDA-HNNXBMFYSA-N 1 0 391.556 4.153 20 0 GIADRO c1cc(-c2nc3ccccc3s2)oc1C[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000042797438 821333657 /nfs/dbraw/zinc/33/36/57/821333657.db2.gz JTWVQXBXMWANMZ-OAHLLOKOSA-N 1 0 391.500 4.105 20 0 GIADRO COc1cccc(CO[C@@H](C)C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000043041662 821355955 /nfs/dbraw/zinc/35/59/55/821355955.db2.gz OTPGDOQUECOZII-SFHVURJKSA-N 1 0 382.504 4.225 20 0 GIADRO COc1ccc(F)cc1[C@@H](C)NC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000043136009 821366126 /nfs/dbraw/zinc/36/61/26/821366126.db2.gz PCSJYWZQUZCNQE-CRAIPNDOSA-N 1 0 389.471 4.015 20 0 GIADRO C[C@@H](CNC(=O)Nc1ccccc1C(F)(F)F)[N@@H+]1CCc2ccccc2C1 ZINC000043158399 821370476 /nfs/dbraw/zinc/37/04/76/821370476.db2.gz CIMAMFXBAWKGFA-AWEZNQCLSA-N 1 0 377.410 4.274 20 0 GIADRO CC[C@@H]([NH2+]CC(=O)Nc1c(Cl)cccc1Cl)c1ccc2c(c1)OCCO2 ZINC000180628069 821374715 /nfs/dbraw/zinc/37/47/15/821374715.db2.gz PXKFKVABJQUKOG-OAHLLOKOSA-N 1 0 395.286 4.444 20 0 GIADRO CC(C)[NH+]1CCC(NC(=O)N2CCC(c3nc4ccccc4s3)CC2)CC1 ZINC000043179562 821374869 /nfs/dbraw/zinc/37/48/69/821374869.db2.gz HFTDLXYXNHVRSJ-UHFFFAOYSA-N 1 0 386.565 4.058 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)NCc1ccc(Cl)cn1 ZINC000180634896 821376529 /nfs/dbraw/zinc/37/65/29/821376529.db2.gz JPVCWMLNDMCBOB-UHFFFAOYSA-N 1 0 386.927 4.110 20 0 GIADRO CCCc1csc(NC(=O)N(Cc2ccncc2)C[C@@H]2CCC[N@@H+]2CC)n1 ZINC000180640740 821378900 /nfs/dbraw/zinc/37/89/00/821378900.db2.gz WGZZAMYEQVRPBJ-SFHVURJKSA-N 1 0 387.553 4.009 20 0 GIADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccc(F)c(F)c3F)CC2)cc1 ZINC000043233229 821378948 /nfs/dbraw/zinc/37/89/48/821378948.db2.gz DDHUYGPDQMHSED-UHFFFAOYSA-N 1 0 377.410 4.152 20 0 GIADRO C[C@@H](NC(=O)NC1CC[NH+](Cc2ccccn2)CC1)c1cccc2ccccc21 ZINC000043235687 821379169 /nfs/dbraw/zinc/37/91/69/821379169.db2.gz OHACMPCRYTVBBA-GOSISDBHSA-N 1 0 388.515 4.260 20 0 GIADRO COc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccc(F)c(Cl)c3)CC2)cc1 ZINC000043268807 821383748 /nfs/dbraw/zinc/38/37/48/821383748.db2.gz FHNDENGPSKMWCM-UHFFFAOYSA-N 1 0 391.874 4.228 20 0 GIADRO Cn1ccnc1[C@@H](O)[C@@H]1CCC[N@H+](Cc2ccc(-c3cccc(F)c3)s2)C1 ZINC000180656504 821384563 /nfs/dbraw/zinc/38/45/63/821384563.db2.gz GGJOIDDDTACBJJ-UZLBHIALSA-N 1 0 385.508 4.233 20 0 GIADRO CCOc1cccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)c1 ZINC000180669562 821389162 /nfs/dbraw/zinc/38/91/62/821389162.db2.gz MEEXQBMWZDROLR-QZTJIDSGSA-N 1 0 381.520 4.363 20 0 GIADRO COc1cccc([C@H](CNC(=O)N(Cc2ccc(C)o2)C2CC2)[NH+]2CCCC2)c1 ZINC000043306971 821389277 /nfs/dbraw/zinc/38/92/77/821389277.db2.gz ZMNAWVMFJGGXFD-QFIPXVFZSA-N 1 0 397.519 4.108 20 0 GIADRO COc1cccc([C@H](CNC(=O)N2CCC[C@H]2c2cccs2)[NH+]2CCCC2)c1 ZINC000043307072 821390167 /nfs/dbraw/zinc/39/01/67/821390167.db2.gz TWNDMHXFPPAFIB-PMACEKPBSA-N 1 0 399.560 4.440 20 0 GIADRO Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N(C)C1CC[NH+](C)CC1 ZINC000180677576 821392174 /nfs/dbraw/zinc/39/21/74/821392174.db2.gz IZOHEGIJSLDNEP-UHFFFAOYSA-N 1 0 382.291 4.123 20 0 GIADRO Clc1ccccc1C1(C[NH2+]C2CCN(c3nccs3)CC2)CCOCC1 ZINC000180677596 821392365 /nfs/dbraw/zinc/39/23/65/821392365.db2.gz CLIKQOOKNCEKCE-UHFFFAOYSA-N 1 0 391.968 4.103 20 0 GIADRO CCOc1cccc([C@H](C)[NH2+]CC(=O)Nc2ccc(Br)cc2F)c1 ZINC000180679111 821393203 /nfs/dbraw/zinc/39/32/03/821393203.db2.gz GPIOWUWIWGYQAT-LBPRGKRZSA-N 1 0 395.272 4.276 20 0 GIADRO Cc1cccc(C)c1NC(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000043357968 821397104 /nfs/dbraw/zinc/39/71/04/821397104.db2.gz AXQNKQNHZQZHQL-OALUTQOASA-N 1 0 381.520 4.234 20 0 GIADRO CC1CC[NH+]([C@H](CNC(=O)Nc2nnc(C3CC3)s2)c2cccs2)CC1 ZINC000043360212 821397766 /nfs/dbraw/zinc/39/77/66/821397766.db2.gz XCFXWZKAJAJLIV-CQSZACIVSA-N 1 0 391.566 4.072 20 0 GIADRO COc1cc(C)c([C@@H](C)[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)cc1OC ZINC000180692715 821397960 /nfs/dbraw/zinc/39/79/60/821397960.db2.gz HBGLZPUTTOHQSU-CXAGYDPISA-N 1 0 383.410 4.415 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1cc(OC)c(OC)cc1C)Cc1ccccc1 ZINC000043404214 821402370 /nfs/dbraw/zinc/40/23/70/821402370.db2.gz NBSPKGPUWZXHLF-LJQANCHMSA-N 1 0 399.535 4.087 20 0 GIADRO O[C@@]1(C[NH2+][C@@H](c2ccc(Cl)cc2)c2ccc(OC(F)F)cc2)CCSC1 ZINC000180703793 821405851 /nfs/dbraw/zinc/40/58/51/821405851.db2.gz DLAZRDYCWLXFNW-PKOBYXMFSA-N 1 0 399.890 4.488 20 0 GIADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)Nc1ccccc1N1CCCC1 ZINC000043485867 821414091 /nfs/dbraw/zinc/41/40/91/821414091.db2.gz DGUZUYJCZSJWNJ-LJQANCHMSA-N 1 0 384.549 4.307 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CCC[C@@H]1c1ccccc1 ZINC000043490656 821415952 /nfs/dbraw/zinc/41/59/52/821415952.db2.gz INPGLOFPPOJGFF-JOCHJYFZSA-N 1 0 378.520 4.116 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CCC[C@H]1c1ccccc1 ZINC000043490659 821415983 /nfs/dbraw/zinc/41/59/83/821415983.db2.gz INPGLOFPPOJGFF-QFIPXVFZSA-N 1 0 378.520 4.116 20 0 GIADRO CCc1nc2c(s1)[C@@H]([NH2+][C@@H]1CCN(c3ccccc3Cl)C1=O)CCC2 ZINC000180726607 821419581 /nfs/dbraw/zinc/41/95/81/821419581.db2.gz AUNKVPKQWNFCQN-DZGCQCFKSA-N 1 0 375.925 4.131 20 0 GIADRO CCN(Cc1ccccc1C)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000043521971 821421797 /nfs/dbraw/zinc/42/17/97/821421797.db2.gz DKGRRKWJGKUUAO-UHFFFAOYSA-N 1 0 394.563 4.499 20 0 GIADRO CC[C@H](CNC(=O)Nc1ccccc1N1CC[NH+](CC)CC1)c1ccccc1 ZINC000043574863 821429183 /nfs/dbraw/zinc/42/91/83/821429183.db2.gz VXWHSBPVVXAHOR-LJQANCHMSA-N 1 0 380.536 4.144 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)N[C@@H](c2ccccc2)C2CC2)CC1 ZINC000043574515 821429246 /nfs/dbraw/zinc/42/92/46/821429246.db2.gz QQAUVIVAZDZOLE-QFIPXVFZSA-N 1 0 378.520 4.101 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)c2nc(C(C)C)ncc2Cl)CC1 ZINC000180755209 821436110 /nfs/dbraw/zinc/43/61/10/821436110.db2.gz AGXQZQVVYMEQIK-UHFFFAOYSA-N 1 0 380.964 4.228 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)c2cnc(-c3ccccc3)nc2C)CC1 ZINC000180757781 821437300 /nfs/dbraw/zinc/43/73/00/821437300.db2.gz MARPBFKZCJYCFG-UHFFFAOYSA-N 1 0 394.563 4.426 20 0 GIADRO O=C(Nc1ccc(F)cc1OCC(F)F)c1cccc(C[NH+]2CCCC2)c1 ZINC000180759407 821438793 /nfs/dbraw/zinc/43/87/93/821438793.db2.gz DGNVUALKYUNABA-UHFFFAOYSA-N 1 0 378.394 4.318 20 0 GIADRO COc1cc(C[N@@H+]2CCC[C@H]2CC(=O)c2ccc(F)cc2)cc(OC)c1OC ZINC000180765133 821442096 /nfs/dbraw/zinc/44/20/96/821442096.db2.gz AOUGRUNDZSIDHW-SFHVURJKSA-N 1 0 387.451 4.089 20 0 GIADRO CCC(CC)c1nnc(NC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)s1 ZINC000043697996 821443131 /nfs/dbraw/zinc/44/31/31/821443131.db2.gz GDTXGTNAQBYZOM-UHFFFAOYSA-N 1 0 387.553 4.182 20 0 GIADRO Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000180771966 821446343 /nfs/dbraw/zinc/44/63/43/821446343.db2.gz KCBVHJDXXHNTSS-IBGZPJMESA-N 1 0 382.895 4.192 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cnn(-c2ccccc2C)c1C ZINC000043727165 821447527 /nfs/dbraw/zinc/44/75/27/821447527.db2.gz LSSXKRMLVFRFDC-UHFFFAOYSA-N 1 0 390.531 4.261 20 0 GIADRO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@@H]1CCN(C(=O)C2CCCCC2)C1)CC3 ZINC000180773423 821447750 /nfs/dbraw/zinc/44/77/50/821447750.db2.gz MSBLMWZATSXUAK-RBUKOAKNSA-N 1 0 379.548 4.104 20 0 GIADRO CN(C(=O)CCc1ccc2[nH]ccc2c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000180773874 821447770 /nfs/dbraw/zinc/44/77/70/821447770.db2.gz ZEHHUTYKRXGKBA-UHFFFAOYSA-N 1 0 375.516 4.224 20 0 GIADRO Cc1ccc(-c2nc(CC(=O)NCc3ccc(C[NH+]4CCCC4)cc3)cs2)o1 ZINC000043727204 821447757 /nfs/dbraw/zinc/44/77/57/821447757.db2.gz ZSKOJDZULAXQMG-UHFFFAOYSA-N 1 0 395.528 4.166 20 0 GIADRO CCc1cc(N2CCC[C@@H]([NH2+][C@@H]3CC4(CCC4)Oc4ccccc43)C2)ncn1 ZINC000180779142 821452509 /nfs/dbraw/zinc/45/25/09/821452509.db2.gz RGMZEAQSUIFCFO-UYAOXDASSA-N 1 0 378.520 4.044 20 0 GIADRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000043781161 821457376 /nfs/dbraw/zinc/45/73/76/821457376.db2.gz YPKFSDVPRGNGHT-OAQYLSRUSA-N 1 0 394.906 4.297 20 0 GIADRO O=S(=O)(CCC[NH2+]Cc1ccc(Oc2ccccc2)o1)Cc1ccccc1 ZINC000180802859 821466795 /nfs/dbraw/zinc/46/67/95/821466795.db2.gz FXMYCSSPWXYQAR-UHFFFAOYSA-N 1 0 385.485 4.167 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccccc1Br)Cc1ccccc1 ZINC000043844864 821470307 /nfs/dbraw/zinc/47/03/07/821470307.db2.gz MXWSYRHFEYOGKX-QGZVFWFLSA-N 1 0 389.337 4.132 20 0 GIADRO CSc1ccc(NC(=O)NCCC[NH+]2CCN(c3cccc(C)c3)CC2)cc1 ZINC000043856431 821474216 /nfs/dbraw/zinc/47/42/16/821474216.db2.gz JDVYQCOPRMFCEA-UHFFFAOYSA-N 1 0 398.576 4.051 20 0 GIADRO COc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccc(SC)cc3)CC2)cc1 ZINC000043857135 821474328 /nfs/dbraw/zinc/47/43/28/821474328.db2.gz DCKFATFMKGVTHD-UHFFFAOYSA-N 1 0 385.533 4.157 20 0 GIADRO COC(=O)c1cc2cc(C[NH2+][C@@H](C)c3ccc(-n4cccn4)cc3)ccc2o1 ZINC000180815799 821476526 /nfs/dbraw/zinc/47/65/26/821476526.db2.gz TWTMDAOTUSRYCV-HNNXBMFYSA-N 1 0 375.428 4.256 20 0 GIADRO O=C(Nc1ccccc1OC(F)(F)F)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000043879421 821483217 /nfs/dbraw/zinc/48/32/17/821483217.db2.gz YANFQSLASNKWOJ-UHFFFAOYSA-N 1 0 393.409 4.371 20 0 GIADRO COc1cc([C@H](C)[NH2+]CCNC(=O)CC2CCCCC2)ccc1OC(F)F ZINC000180836613 821487952 /nfs/dbraw/zinc/48/79/52/821487952.db2.gz OLPFKKUOMWTUIP-AWEZNQCLSA-N 1 0 384.467 4.034 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1)c1ccc(-n2cccn2)cc1 ZINC000180838085 821488852 /nfs/dbraw/zinc/48/88/52/821488852.db2.gz UHPBZSLMPZLSQQ-CVEARBPZSA-N 1 0 398.457 4.021 20 0 GIADRO COc1ccc([C@@H]([NH2+]CCOc2cccc(NC(C)=O)c2)c2ccccc2)cc1 ZINC000180839676 821489185 /nfs/dbraw/zinc/48/91/85/821489185.db2.gz MVXVQGFUQSHABF-DEOSSOPVSA-N 1 0 390.483 4.412 20 0 GIADRO C[C@H]([NH2+]CCc1nc2c(s1)CCCC2)c1ccc(NC(=O)NC2CC2)cc1 ZINC000180840334 821489301 /nfs/dbraw/zinc/48/93/01/821489301.db2.gz FTSPQCQUPWWCHS-AWEZNQCLSA-N 1 0 384.549 4.199 20 0 GIADRO COCCOc1cc(C)ccc1NCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000180847775 821492760 /nfs/dbraw/zinc/49/27/60/821492760.db2.gz GUAOEACLYNGWGD-UHFFFAOYSA-N 1 0 397.563 4.163 20 0 GIADRO Cc1ccccc1NC(=O)C[C@H](C)[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000180847785 821492908 /nfs/dbraw/zinc/49/29/08/821492908.db2.gz ZCKITXYGIVRSMH-KRWDZBQOSA-N 1 0 394.544 4.453 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)CCc2ccc3[nH]ccc3c2)CC1 ZINC000180850168 821494824 /nfs/dbraw/zinc/49/48/24/821494824.db2.gz TUYQTQPDKSGXRF-SFHVURJKSA-N 1 0 375.516 4.442 20 0 GIADRO O=C([C@H](c1ccccc1)[NH+]1CCC([C@@H](O)c2ccccc2)CC1)N1CCCCC1 ZINC000043998859 821499743 /nfs/dbraw/zinc/49/97/43/821499743.db2.gz KKZXLTRQZCSKQK-ZEQRLZLVSA-N 1 0 392.543 4.186 20 0 GIADRO C[C@H](NC(=O)NCc1ccc(OC(F)(F)F)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180863871 821500999 /nfs/dbraw/zinc/50/09/99/821500999.db2.gz YZWOFTWCOSNARG-GOEBONIOSA-N 1 0 399.457 4.037 20 0 GIADRO CC(=O)Nc1cc(NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)ccc1F ZINC000044015870 821503253 /nfs/dbraw/zinc/50/32/53/821503253.db2.gz RDEVRNVCJFNLMZ-UHFFFAOYSA-N 1 0 398.482 4.092 20 0 GIADRO C[C@@H](O)[C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)c(Br)c2)C1 ZINC000180868169 821503497 /nfs/dbraw/zinc/50/34/97/821503497.db2.gz LIIDZJZTJCDRLX-QAPCUYQASA-N 1 0 390.321 4.231 20 0 GIADRO CC(C)[NH+]1CCC(N(C)C(=O)c2csc(-c3cccc(Cl)c3)n2)CC1 ZINC000044025261 821505889 /nfs/dbraw/zinc/50/58/89/821505889.db2.gz LVCVCOQPWBGWDS-UHFFFAOYSA-N 1 0 377.941 4.408 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)Nc3nc4ccccc4s3)cc2)CC1 ZINC000180883142 821511453 /nfs/dbraw/zinc/51/14/53/821511453.db2.gz PBHLSVKAZWZVES-UHFFFAOYSA-N 1 0 395.532 4.471 20 0 GIADRO COc1ccc([C@@H](CNC(=S)N[C@H](C)c2ccccc2)[NH+]2CCCC2)cc1 ZINC000044054578 821513465 /nfs/dbraw/zinc/51/34/65/821513465.db2.gz QKMUMLCFUUPWQN-DYESRHJHSA-N 1 0 383.561 4.057 20 0 GIADRO CC(C)c1nnc(NC(=O)C[NH2+][C@@H](C)c2ccc(-c3ccncc3)cc2)s1 ZINC000180887508 821515456 /nfs/dbraw/zinc/51/54/56/821515456.db2.gz IGNOLPCVVBWDBO-AWEZNQCLSA-N 1 0 381.505 4.013 20 0 GIADRO COc1ccccc1OC[C@H](C)C[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000180889825 821516927 /nfs/dbraw/zinc/51/69/27/821516927.db2.gz ZKIKKCXEIQRPMU-WWDZGPRUSA-N 1 0 392.540 4.136 20 0 GIADRO C[C@H]([NH2+]CC(=O)NCCCOC1CCCCC1)c1ccc(-c2ccncc2)cc1 ZINC000180897085 821522410 /nfs/dbraw/zinc/52/24/10/821522410.db2.gz URKJTACFIHTTPL-IBGZPJMESA-N 1 0 395.547 4.255 20 0 GIADRO C[C@H]([NH2+]CCc1nc(-c2cccc(Cl)c2)no1)c1ccc([S@@](C)=O)cc1 ZINC000180903042 821526446 /nfs/dbraw/zinc/52/64/46/821526446.db2.gz SGJMSWOCFLQJMA-WHDAMIPWSA-N 1 0 389.908 4.021 20 0 GIADRO CCC(CC)[C@@H]1C[C@@H](NC(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)CCO1 ZINC000180910021 821531274 /nfs/dbraw/zinc/53/12/74/821531274.db2.gz AQYSPLPSDFXLRF-ZJOUEHCJSA-N 1 0 391.556 4.008 20 0 GIADRO Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000180914698 821534674 /nfs/dbraw/zinc/53/46/74/821534674.db2.gz GQQBEHCOBBJNSV-CYBMUJFWSA-N 1 0 382.291 4.123 20 0 GIADRO COCCN1CCC([NH2+]Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)CC1 ZINC000180917222 821536745 /nfs/dbraw/zinc/53/67/45/821536745.db2.gz VGQIXKIHYRXLMX-UHFFFAOYSA-N 1 0 382.426 4.166 20 0 GIADRO NC(=O)C[C@@H]([NH2+]Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1)C1CCOCC1 ZINC000180918517 821537431 /nfs/dbraw/zinc/53/74/31/821537431.db2.gz XXJJHTXNJCFLII-QGZVFWFLSA-N 1 0 397.302 4.014 20 0 GIADRO CC(C)c1ccc(NC(=S)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000044158246 821538209 /nfs/dbraw/zinc/53/82/09/821538209.db2.gz BDNZRZZGDXGOKB-UHFFFAOYSA-N 1 0 380.561 4.442 20 0 GIADRO Clc1ccc2c(c1Cl)OCCC[C@H]2[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000180933144 821545223 /nfs/dbraw/zinc/54/52/23/821545223.db2.gz HXSXLSOUQJKLJL-XJKSGUPXSA-N 1 0 393.318 4.256 20 0 GIADRO CC[C@@H]([NH2+]C1CCN(c2nccs2)CC1)[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000180937991 821547138 /nfs/dbraw/zinc/54/71/38/821547138.db2.gz HBYOFWQVUPPISR-SJORKVTESA-N 1 0 399.482 4.233 20 0 GIADRO COc1cc(OC)cc(OCCC[NH2+][C@@H](c2ccccc2)c2ccccn2)c1 ZINC000180937124 821547257 /nfs/dbraw/zinc/54/72/57/821547257.db2.gz VCQVOVWIHWCKOR-QHCPKHFHSA-N 1 0 378.472 4.247 20 0 GIADRO Cc1cc(C)c(NC(=S)NCc2ccc(OCC[NH+](C)C)cc2)c(Cl)c1 ZINC000044222539 821549652 /nfs/dbraw/zinc/54/96/52/821549652.db2.gz YQQFVODMMCARAJ-UHFFFAOYSA-N 1 0 391.968 4.384 20 0 GIADRO C[C@@H]([NH2+][C@H](Cc1ccccc1)c1cccs1)c1ccc(-n2cnnn2)cc1 ZINC000180944003 821550104 /nfs/dbraw/zinc/55/01/04/821550104.db2.gz IDBRFMVQMJXMIZ-OXQOHEQNSA-N 1 0 375.501 4.358 20 0 GIADRO COC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(OCC(F)(F)F)cc2)cc1F ZINC000180947665 821551487 /nfs/dbraw/zinc/55/14/87/821551487.db2.gz YLDRLOYIJASIHZ-LBPRGKRZSA-N 1 0 385.357 4.404 20 0 GIADRO COc1ccc(C(=O)N2CCC([NH2+]C3CCC(C(C)C)CC3)CC2)cc1OC ZINC000180970471 821563795 /nfs/dbraw/zinc/56/37/95/821563795.db2.gz QNSXDBDKBPVCMN-UHFFFAOYSA-N 1 0 388.552 4.113 20 0 GIADRO CCn1c2ccccc2nc1[C@H](C)[NH2+][C@@H](C)CC(=O)Nc1cccnc1Cl ZINC000180991862 821579736 /nfs/dbraw/zinc/57/97/36/821579736.db2.gz DHKVPNFAERTIAR-KBPBESRZSA-N 1 0 385.899 4.173 20 0 GIADRO Cc1cc(F)ccc1-c1ccc(CNCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)o1 ZINC000180998510 821583834 /nfs/dbraw/zinc/58/38/34/821583834.db2.gz HVBVXRWTJBHAAO-OAQYLSRUSA-N 1 0 394.490 4.251 20 0 GIADRO C[C@@H]([NH2+]CCc1nc(-c2ccccn2)cs1)c1ccc(-n2ccnc2)cc1 ZINC000181008383 821590418 /nfs/dbraw/zinc/59/04/18/821590418.db2.gz QGVBWZHSCFFQKI-MRXNPFEDSA-N 1 0 375.501 4.284 20 0 GIADRO Cc1ccc([C@@H]([NH2+]CC2CCS(=O)(=O)CC2)c2ccccc2Cl)cc1 ZINC000181023982 821598847 /nfs/dbraw/zinc/59/88/47/821598847.db2.gz RIUWXVHOLRGPCB-HXUWFJFHSA-N 1 0 377.937 4.152 20 0 GIADRO Cn1cc([C@H]([NH2+][C@@H]2CCCN(c3ccccc3F)C2)c2cccc(F)c2)cn1 ZINC000181033415 821603221 /nfs/dbraw/zinc/60/32/21/821603221.db2.gz JLVKVPRSPLZIJC-DENIHFKCSA-N 1 0 382.458 4.046 20 0 GIADRO Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000181072501 821618408 /nfs/dbraw/zinc/61/84/08/821618408.db2.gz CDRPVGLELTVZQO-MEDUHNTESA-N 1 0 396.318 4.369 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)N[C@@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000181080489 821622540 /nfs/dbraw/zinc/62/25/40/821622540.db2.gz QFDKBCDLKVXGRT-GOSISDBHSA-N 1 0 379.932 4.070 20 0 GIADRO Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000181082062 821623423 /nfs/dbraw/zinc/62/34/23/821623423.db2.gz NUSSIFOTZZYRPY-ZDUSSCGKSA-N 1 0 382.291 4.123 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]C1CCC(S(C)(=O)=O)CC1 ZINC000181117712 821642649 /nfs/dbraw/zinc/64/26/49/821642649.db2.gz NYVULNPVUYLYKM-NNGSBXSVSA-N 1 0 392.590 4.433 20 0 GIADRO Fc1ccc(-n2cc(C[NH+]3CCC(n4ccc(C(F)(F)F)n4)CC3)cn2)cc1 ZINC000181119722 821644927 /nfs/dbraw/zinc/64/49/27/821644927.db2.gz OYZIYFUCILGMLC-UHFFFAOYSA-N 1 0 393.388 4.064 20 0 GIADRO Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]C1CCC(S(C)(=O)=O)CC1 ZINC000181122019 821646989 /nfs/dbraw/zinc/64/69/89/821646989.db2.gz HRGJYIJUHGSAFA-RWBZWWBESA-N 1 0 392.590 4.049 20 0 GIADRO COc1ccc2ccccc2c1-c1cc(CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)on1 ZINC000181134335 821654399 /nfs/dbraw/zinc/65/43/99/821654399.db2.gz FLRPOWSLERYHIN-SJLPKXTDSA-N 1 0 379.504 4.418 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(Cc2cc(-c3c(OC)ccc4ccccc43)no2)C1 ZINC000181136022 821655905 /nfs/dbraw/zinc/65/59/05/821655905.db2.gz ADOSOYPXXIDNHC-KRWDZBQOSA-N 1 0 379.504 4.277 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCc1ccc2[nH]ccc2c1 ZINC000181147971 821664160 /nfs/dbraw/zinc/66/41/60/821664160.db2.gz ZVSYKXVOOQNJKH-NRFANRHFSA-N 1 0 375.516 4.081 20 0 GIADRO COCCC[C@@H](C)[NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C ZINC000181167000 821675014 /nfs/dbraw/zinc/67/50/14/821675014.db2.gz WLGUURPBZFHVSN-XMSQKQJNSA-N 1 0 389.561 4.201 20 0 GIADRO COc1ccc(/C=C/C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000044875548 821675632 /nfs/dbraw/zinc/67/56/32/821675632.db2.gz NWPGWNFHYZQRBL-FMIVXFBMSA-N 1 0 378.516 4.257 20 0 GIADRO CC[C@H](C)[C@H](C)C(=O)Nc1ccc(Cl)c(C(=O)NCC[NH+](CC)CC)c1 ZINC000181176751 821679815 /nfs/dbraw/zinc/67/98/15/821679815.db2.gz VNNZZLNANJSJEP-GJZGRUSLSA-N 1 0 381.948 4.032 20 0 GIADRO COc1ccc2oc(C)c(C(=O)N3CCC[N@H+](Cc4ccccc4)CC3)c2c1 ZINC000044919026 821680976 /nfs/dbraw/zinc/68/09/76/821680976.db2.gz VKDFBWZGZHEHRN-UHFFFAOYSA-N 1 0 378.472 4.098 20 0 GIADRO COc1cc(N[C@H]2CCC[N@@H+]([C@@H](C)c3nc4ccccc4o3)C2)cc(OC)c1 ZINC000181183465 821683021 /nfs/dbraw/zinc/68/30/21/821683021.db2.gz NBUOIJNJHYNSNB-HOTGVXAUSA-N 1 0 381.476 4.483 20 0 GIADRO Cc1cc2ncc([C@H](C)[NH2+][C@H](c3ccc4c(c3)OCCO4)C(C)C)c(C)n2n1 ZINC000181190081 821686371 /nfs/dbraw/zinc/68/63/71/821686371.db2.gz HJPDWUNZYLFVHM-NYHFZMIOSA-N 1 0 380.492 4.165 20 0 GIADRO C[C@H]([NH2+][C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1)C1CCC1 ZINC000181194213 821689134 /nfs/dbraw/zinc/68/91/34/821689134.db2.gz FFTVYRVUENNBJF-RBZFPXEDSA-N 1 0 379.472 4.236 20 0 GIADRO CO[C@@H](C[NH2+][C@H](C)CC(=O)Nc1cccnc1Cl)c1cccc(Cl)c1 ZINC000181196434 821690566 /nfs/dbraw/zinc/69/05/66/821690566.db2.gz YKYMAIYSSGHVPB-WBMJQRKESA-N 1 0 382.291 4.083 20 0 GIADRO Cc1cc2ncc([C@@H](C)[NH2+][C@H](C)c3ccc(NC(=O)NC4CC4)cc3)c(C)n2n1 ZINC000181203844 821695703 /nfs/dbraw/zinc/69/57/03/821695703.db2.gz VHLMHOXLAMQAND-HUUCEWRRSA-N 1 0 392.507 4.042 20 0 GIADRO COc1ccc2ccccc2c1-c1cc(C[N@H+](C)CCCn2ccnc2)on1 ZINC000181207412 821697663 /nfs/dbraw/zinc/69/76/63/821697663.db2.gz DSVSBXHIJDFXIW-UHFFFAOYSA-N 1 0 376.460 4.222 20 0 GIADRO CCCC[N@H+](CC)Cc1cccc(CNc2ccc3nnc(C(F)F)n3n2)c1 ZINC000181215905 821702111 /nfs/dbraw/zinc/70/21/11/821702111.db2.gz QGTITGNTDTZSQJ-UHFFFAOYSA-N 1 0 388.466 4.296 20 0 GIADRO O=C(C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1)Nc1ccc(C(F)(F)F)cc1 ZINC000181222850 821704808 /nfs/dbraw/zinc/70/48/08/821704808.db2.gz RXAIJZARTBJSLH-KXBFYZLASA-N 1 0 392.421 4.401 20 0 GIADRO O=C(C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)Nc1ccc(C(F)(F)F)cc1 ZINC000181222826 821705048 /nfs/dbraw/zinc/70/50/48/821705048.db2.gz RXAIJZARTBJSLH-HNAYVOBHSA-N 1 0 392.421 4.401 20 0 GIADRO C[C@@H]1CCc2ccccc2N1C(=O)C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000181225266 821705725 /nfs/dbraw/zinc/70/57/25/821705725.db2.gz HTPYIHJYMRXRIY-XQBPLPMBSA-N 1 0 378.516 4.112 20 0 GIADRO C[S@](=O)c1ccc(C[NH2+][C@@H]2CCCOc3c(Br)cccc32)cc1 ZINC000181245161 821716436 /nfs/dbraw/zinc/71/64/36/821716436.db2.gz KYRWSEYFHBNTRA-HXOBKFHXSA-N 1 0 394.334 4.190 20 0 GIADRO CCCN(Cc1nnc(C2CC2)n1C1CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000181247775 821717199 /nfs/dbraw/zinc/71/71/99/821717199.db2.gz LAXHFOHQVBQJKP-JOCHJYFZSA-N 1 0 393.579 4.367 20 0 GIADRO Cc1cc2ncc([C@@H](C)[NH2+][C@H]3CCN(c4ccc(F)c(Cl)c4)C3)c(C)n2n1 ZINC000181249083 821717816 /nfs/dbraw/zinc/71/78/16/821717816.db2.gz RIJBKMJQXIZOOC-HIFRSBDPSA-N 1 0 387.890 4.068 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+][C@H]2CCN(c3ccc(F)c(Cl)c3)C2)s1 ZINC000181251109 821719201 /nfs/dbraw/zinc/71/92/01/821719201.db2.gz RQXRUSHVCGPGDO-JSGCOSHPSA-N 1 0 397.947 4.362 20 0 GIADRO CCOc1ccccc1[C@H](CC(C)C)[NH2+]CC(=O)Nc1cccc(NC(C)=O)c1 ZINC000181263655 821723517 /nfs/dbraw/zinc/72/35/17/821723517.db2.gz UFSLGLIARFPRRY-NRFANRHFSA-N 1 0 397.519 4.359 20 0 GIADRO CC(C)c1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000181265898 821724487 /nfs/dbraw/zinc/72/44/87/821724487.db2.gz HFOWEUBSFZXLGE-DLBZAZTESA-N 1 0 395.503 4.444 20 0 GIADRO CC(C)c1nnc(NC(=O)C[NH2+][C@H](C)c2ccc(-c3cccnc3)cc2)s1 ZINC000181277870 821731035 /nfs/dbraw/zinc/73/10/35/821731035.db2.gz GAMWKTRCEFBPNK-CQSZACIVSA-N 1 0 381.505 4.013 20 0 GIADRO CCOc1ccc([C@@H](C)NC(=O)CCC[NH2+][C@H](C)c2cccnc2Cl)cc1 ZINC000181279174 821731722 /nfs/dbraw/zinc/73/17/22/821731722.db2.gz BLKSIPUMHBDUKE-HZPDHXFCSA-N 1 0 389.927 4.442 20 0 GIADRO CC1(CNC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)CC[NH2+]CC1 ZINC000181280344 821732314 /nfs/dbraw/zinc/73/23/14/821732314.db2.gz BDPPCZGAZRMCSH-UHFFFAOYSA-N 1 0 375.472 4.128 20 0 GIADRO COc1cccc([C@@H]2[C@H]([NH2+][C@@H](C)c3nc4ccccc4n3C)CCN2C2CC2)c1 ZINC000181280338 821732370 /nfs/dbraw/zinc/73/23/70/821732370.db2.gz ZQUQAJRQPNIZDY-POCHDABASA-N 1 0 390.531 4.211 20 0 GIADRO C[C@@H]([NH2+]CCc1ccccc1OC(F)(F)F)c1ccc(N2CCOC2=O)cc1 ZINC000181280861 821732456 /nfs/dbraw/zinc/73/24/56/821732456.db2.gz YAFOBRGSECEUCQ-CQSZACIVSA-N 1 0 394.393 4.435 20 0 GIADRO CC[C@@H](C)c1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)cc1 ZINC000181282969 821733765 /nfs/dbraw/zinc/73/37/65/821733765.db2.gz OLOBHTZOFUFWLH-IAGOWNOFSA-N 1 0 395.503 4.446 20 0 GIADRO C[C@H](NC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)c1cc2ccccc2o1 ZINC000181285922 821735776 /nfs/dbraw/zinc/73/57/76/821735776.db2.gz ZBXMJEQQEYTSHH-SFHVURJKSA-N 1 0 399.535 4.028 20 0 GIADRO CCc1ccc2c(C[NH2+][C@@H](C)c3ccc(N4CCOC4=O)cc3)cc(=O)oc2c1 ZINC000181288664 821737066 /nfs/dbraw/zinc/73/70/66/821737066.db2.gz WBXYWHPWQJKBSZ-HNNXBMFYSA-N 1 0 392.455 4.163 20 0 GIADRO COc1ccc(CN(C)C(=O)C[NH2+][C@@H](C)c2ccc(-c3cccnc3)cc2)cc1 ZINC000181294770 821740639 /nfs/dbraw/zinc/74/06/39/821740639.db2.gz UNYZSGFTXORYLT-SFHVURJKSA-N 1 0 389.499 4.066 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1)C(=O)NCc1ccc(F)cc1 ZINC000181295369 821740814 /nfs/dbraw/zinc/74/08/14/821740814.db2.gz HTAKASDJCRISIM-DLBZAZTESA-N 1 0 377.463 4.243 20 0 GIADRO COCCOc1ccc([C@@H](C)[NH2+][C@H](C)c2c(C)nn(CC(F)(F)F)c2C)cc1 ZINC000181305643 821745714 /nfs/dbraw/zinc/74/57/14/821745714.db2.gz HUIYLPQSRISPKH-ZIAGYGMSSA-N 1 0 399.457 4.499 20 0 GIADRO Fc1ccc2oc(C[N@@H+]3CCC[C@H](c4nc(-c5ccccc5)n[nH]4)C3)nc2c1 ZINC000181307619 821747121 /nfs/dbraw/zinc/74/71/21/821747121.db2.gz FQWKPIGVHANXJF-HNNXBMFYSA-N 1 0 377.423 4.132 20 0 GIADRO CCn1c(C[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)nc2cc(F)ccc21 ZINC000181309847 821749206 /nfs/dbraw/zinc/74/92/06/821749206.db2.gz HEHKRHNOOGTPAX-CQSZACIVSA-N 1 0 382.439 4.003 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1)C(=O)N1CCc2sccc2C1 ZINC000181322052 821758356 /nfs/dbraw/zinc/75/83/56/821758356.db2.gz FATIMOCOTWIUFN-IRXDYDNUSA-N 1 0 391.540 4.434 20 0 GIADRO C[C@@H]([NH2+]C[C@H](O)COc1cccc2[nH]ccc21)c1ccc(-c2cccnc2)cc1 ZINC000181324018 821758813 /nfs/dbraw/zinc/75/88/13/821758813.db2.gz VKLOXVRUTYUHDO-UTKZUKDTSA-N 1 0 387.483 4.320 20 0 GIADRO CCc1ccc(Cl)c(CC)c1NC(=O)CCC[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000181330974 821763769 /nfs/dbraw/zinc/76/37/69/821763769.db2.gz QEMVASMHOKWAHU-OAHLLOKOSA-N 1 0 394.865 4.039 20 0 GIADRO Cc1ccc2c(C[NH2+][C@@H](C)c3cccc(N4CCOC4=O)c3)cc(=O)oc2c1C ZINC000181335780 821767625 /nfs/dbraw/zinc/76/76/25/821767625.db2.gz GMIMVRWVUJYASI-INIZCTEOSA-N 1 0 392.455 4.217 20 0 GIADRO COc1cccc2[nH]cc(CC[NH2+][C@@H](C)c3cc(OC)c(OC)c(OC)c3)c21 ZINC000181337338 821768392 /nfs/dbraw/zinc/76/83/92/821768392.db2.gz BDQFJMBHAIQNHR-AWEZNQCLSA-N 1 0 384.476 4.096 20 0 GIADRO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)cc1C ZINC000181338844 821769479 /nfs/dbraw/zinc/76/94/79/821769479.db2.gz NEWWRNJHDLGWRK-ZWKOTPCHSA-N 1 0 379.504 4.108 20 0 GIADRO Cc1cc(Cl)ccc1NC(=O)C[NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000181356179 821784018 /nfs/dbraw/zinc/78/40/18/821784018.db2.gz LUKGQEYNLAAAAD-OAHLLOKOSA-N 1 0 385.895 4.065 20 0 GIADRO CCOc1cc2c(cc1C[NH2+][C@H](C)c1sc(CCOC)nc1C)O[C@@H](C)C2 ZINC000181372118 821793148 /nfs/dbraw/zinc/79/31/48/821793148.db2.gz MFLUNOPWEWEDGH-UONOGXRCSA-N 1 0 390.549 4.213 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)s1 ZINC000181375384 821794517 /nfs/dbraw/zinc/79/45/17/821794517.db2.gz OBJUGCPFKZNQNK-ZIAGYGMSSA-N 1 0 387.549 4.401 20 0 GIADRO Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000181382612 821797616 /nfs/dbraw/zinc/79/76/16/821797616.db2.gz NXTNZLNGSCOCEG-CVEARBPZSA-N 1 0 399.922 4.453 20 0 GIADRO COc1ccc2oc([C@H](C)[NH2+]CCS(=O)(=O)c3ccc(F)cc3)c(C)c2c1 ZINC000181385210 821799176 /nfs/dbraw/zinc/79/91/76/821799176.db2.gz SSOIAQRGEDLALN-AWEZNQCLSA-N 1 0 391.464 4.013 20 0 GIADRO COc1ccc([C@@H](NC(=O)Nc2cccc(C[NH+](C)C)c2)C(F)(F)F)cc1 ZINC000181388637 821800470 /nfs/dbraw/zinc/80/04/70/821800470.db2.gz APFRSWLFISQLOD-QGZVFWFLSA-N 1 0 381.398 4.182 20 0 GIADRO O[C@@H](C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1)c1cccc(Br)c1 ZINC000181389336 821800782 /nfs/dbraw/zinc/80/07/82/821800782.db2.gz LONDHODJDCXYDW-XPGWFJOJSA-N 1 0 390.321 4.240 20 0 GIADRO COc1cc(C)c([C@@H](C)[NH2+]C[C@@H](O)c2cccc(Br)c2)cc1OC ZINC000181389494 821800918 /nfs/dbraw/zinc/80/09/18/821800918.db2.gz AAIZUBHXUYBLNL-CXAGYDPISA-N 1 0 394.309 4.159 20 0 GIADRO Cc1cc(C)c(NC(=O)C[NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)c(Cl)c1 ZINC000181389664 821801352 /nfs/dbraw/zinc/80/13/52/821801352.db2.gz WGHVKNWDGJOSGJ-MRXNPFEDSA-N 1 0 399.922 4.373 20 0 GIADRO CC[C@H]([NH2+][C@@H](CO)c1cccc(Br)c1)c1ccc2c(c1)CCO2 ZINC000181392079 821802736 /nfs/dbraw/zinc/80/27/36/821802736.db2.gz CMRCATIAEVOBLB-ROUUACIJSA-N 1 0 376.294 4.158 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)s1 ZINC000181393458 821803966 /nfs/dbraw/zinc/80/39/66/821803966.db2.gz XJVVFWBRVKSYMA-CABCVRRESA-N 1 0 387.549 4.179 20 0 GIADRO COc1cc(C)c([C@@H](C)[NH2+][C@H](CO)c2cccc(Br)c2)cc1OC ZINC000181400835 821807441 /nfs/dbraw/zinc/80/74/41/821807441.db2.gz GJLDRGQLCSOBGH-CXAGYDPISA-N 1 0 394.309 4.159 20 0 GIADRO OC[C@H]([NH2+][C@@H]1CCSc2ccc(F)cc21)c1cccc(Br)c1 ZINC000181400499 821807561 /nfs/dbraw/zinc/80/75/61/821807561.db2.gz HMPZKSLZRSVYGG-CVEARBPZSA-N 1 0 382.298 4.448 20 0 GIADRO Cc1nc(C)c([C@H](C)[NH2+]C[C@H](CO)Cc2ccc(OC(F)(F)F)cc2)s1 ZINC000181407407 821809791 /nfs/dbraw/zinc/80/97/91/821809791.db2.gz KCWASDBZVCAFFR-XHDPSFHLSA-N 1 0 388.455 4.160 20 0 GIADRO Cc1ccc2c(C[NH2+][C@H](C)c3cccc(N4CCCC4=O)c3)cc(=O)oc2c1 ZINC000181420219 821816635 /nfs/dbraw/zinc/81/66/35/821816635.db2.gz JYHBYEASLAMONM-MRXNPFEDSA-N 1 0 376.456 4.079 20 0 GIADRO COCCC[C@H]([NH2+][C@@H](C)Cc1cc(C)n[nH]1)c1ccc(Br)cc1 ZINC000181422662 821818746 /nfs/dbraw/zinc/81/87/46/821818746.db2.gz BUSVJZQZDVRBTN-UGSOOPFHSA-N 1 0 380.330 4.169 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+]CCNc2ncc(Cl)cc2Cl)s1 ZINC000181424740 821820228 /nfs/dbraw/zinc/82/02/28/821820228.db2.gz ZUKKKNGPXMGBCS-SNVBAGLBSA-N 1 0 389.352 4.105 20 0 GIADRO CSc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181430103 821822927 /nfs/dbraw/zinc/82/29/27/821822927.db2.gz MTYCEPKRKAKVTI-CVEARBPZSA-N 1 0 397.544 4.213 20 0 GIADRO Cc1nn(C)c(=O)c(-c2nc(C[NH2+][C@@H]3C[C@H](C)CC[C@@H]3C(C)C)cs2)c1C ZINC000181453806 821832929 /nfs/dbraw/zinc/83/29/29/821832929.db2.gz GKOPJHBRQUKNFC-FSPWUOQZSA-N 1 0 388.581 4.071 20 0 GIADRO C[C@@H](NC(=O)Cc1csc(-c2cccs2)n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181454229 821833197 /nfs/dbraw/zinc/83/31/97/821833197.db2.gz RGQACYWPAABJLI-HUUCEWRRSA-N 1 0 389.590 4.183 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+][C@H]1CCO[C@]2(CCSC2)C1 ZINC000181454435 821833249 /nfs/dbraw/zinc/83/32/49/821833249.db2.gz SZFWCKJCQXIYMK-ACWOFJMJSA-N 1 0 375.563 4.219 20 0 GIADRO C[C@H](NC(=O)CCc1cc(Br)cs1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181471099 821841421 /nfs/dbraw/zinc/84/14/21/821841421.db2.gz MHRQDLBTZUNZCC-KBPBESRZSA-N 1 0 399.398 4.212 20 0 GIADRO COc1ccc(NC(=O)C[NH2+][C@H](c2ccccc2F)C2CCCC2)c(OC)c1 ZINC000181486984 821848129 /nfs/dbraw/zinc/84/81/29/821848129.db2.gz SPOMMJJHLZSIGF-QFIPXVFZSA-N 1 0 386.467 4.303 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)C[NH2+][C@@H](c2ccccc2F)C2CCCC2)cc1 ZINC000181495228 821852955 /nfs/dbraw/zinc/85/29/55/821852955.db2.gz VFSMHEJRICHQTK-JOCHJYFZSA-N 1 0 383.467 4.244 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+]C2CCN(C(=O)c3ccccc3F)CC2)C1(CC)CC ZINC000181496601 821853946 /nfs/dbraw/zinc/85/39/46/821853946.db2.gz ABCZUZYLGIHQSF-VQTJNVASSA-N 1 0 376.516 4.004 20 0 GIADRO COc1ccc(-c2csc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c3cccc(O)c3)n2)cc1 ZINC000181522280 821865346 /nfs/dbraw/zinc/86/53/46/821865346.db2.gz KUJJWOFVQGRKNO-UONOGXRCSA-N 1 0 397.500 4.202 20 0 GIADRO Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000181534753 821871376 /nfs/dbraw/zinc/87/13/76/821871376.db2.gz MKRZFPOSUSLTGE-CQSZACIVSA-N 1 0 393.503 4.247 20 0 GIADRO CCOc1ccc([C@@H](C)NC(=O)CCC[NH2+]Cc2cccc3cnccc32)cc1 ZINC000181537689 821872601 /nfs/dbraw/zinc/87/26/01/821872601.db2.gz JQMWKRBJHVDOBN-GOSISDBHSA-N 1 0 391.515 4.381 20 0 GIADRO C[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1nc(C(C)(C)NC(=O)OC(C)(C)C)no1 ZINC000181538558 821873171 /nfs/dbraw/zinc/87/31/71/821873171.db2.gz KVKNOOVKWNOTNH-GJZGRUSLSA-N 1 0 388.512 4.111 20 0 GIADRO Cc1cccc(C)c1CC(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000181541652 821874125 /nfs/dbraw/zinc/87/41/25/821874125.db2.gz DLKNORZZLIXUOA-UHFFFAOYSA-N 1 0 394.559 4.033 20 0 GIADRO C[C@H](NC(=O)CCc1ncc(-c2ccccc2F)o1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181543472 821874815 /nfs/dbraw/zinc/87/48/15/821874815.db2.gz AEFDIKKRJQCIQU-DLBZAZTESA-N 1 0 399.510 4.183 20 0 GIADRO COc1cccc2cc([C@H](C)[NH2+]CCCS(=O)(=O)Cc3ccccc3)oc21 ZINC000181543858 821874955 /nfs/dbraw/zinc/87/49/55/821874955.db2.gz YDCSYSIUYYDFSR-INIZCTEOSA-N 1 0 387.501 4.097 20 0 GIADRO COC1(C[NH2+][C@@H]2CCCc3nc(-c4ccccc4F)sc32)CCOCC1 ZINC000181545509 821875417 /nfs/dbraw/zinc/87/54/17/821875417.db2.gz CEOYVVGOAGQXGN-MRXNPFEDSA-N 1 0 376.497 4.112 20 0 GIADRO Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000181547747 821876296 /nfs/dbraw/zinc/87/62/96/821876296.db2.gz VCTGKBCHKWFTKR-HNNXBMFYSA-N 1 0 391.487 4.097 20 0 GIADRO COc1cc([C@H](C)[NH2+]C[C@@H](c2ccccc2)C(C)(C)CO)cc(OC)c1OC ZINC000181556387 821880229 /nfs/dbraw/zinc/88/02/29/821880229.db2.gz YQHFJPUCSYCFIH-LPHOPBHVSA-N 1 0 387.520 4.165 20 0 GIADRO C[C@H]([NH2+]CC1(CO)CCOCC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000181565382 821883092 /nfs/dbraw/zinc/88/30/92/821883092.db2.gz AOXSJJBSLNHCBX-NSHDSACASA-N 1 0 385.348 4.164 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]Cc2cccc(-c3ccccn3)c2)cc1 ZINC000181568489 821883531 /nfs/dbraw/zinc/88/35/31/821883531.db2.gz MXOZGCLULKPDMW-KRWDZBQOSA-N 1 0 395.528 4.361 20 0 GIADRO C[C@H]([NH2+]CCC(=O)Nc1cc(N)ccc1F)c1ccc(OCC2CC2)c(F)c1 ZINC000181574671 821885628 /nfs/dbraw/zinc/88/56/28/821885628.db2.gz BAFPZQFENWMHSW-ZDUSSCGKSA-N 1 0 389.446 4.015 20 0 GIADRO C[C@H](c1ccncc1)N1CCC([NH2+][C@@H](C)c2cnn(Cc3ccccc3)c2)CC1 ZINC000181586105 821891022 /nfs/dbraw/zinc/89/10/22/821891022.db2.gz BOZCJSBBWQSLJK-VQTJNVASSA-N 1 0 389.547 4.203 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(COCC(F)(F)F)c1)c1ccc(-n2cncn2)cc1 ZINC000181595535 821895489 /nfs/dbraw/zinc/89/54/89/821895489.db2.gz ADXCHSXFRYLNHK-HNNXBMFYSA-N 1 0 390.409 4.197 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(COC2CCOCC2)cc1)c1ccc(-n2ccnc2)cc1 ZINC000181610509 821902207 /nfs/dbraw/zinc/90/22/07/821902207.db2.gz LINNBUWLTXTHKL-LJQANCHMSA-N 1 0 391.515 4.419 20 0 GIADRO Cc1noc(C)c1[C@@H](C)C[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000181627171 821911206 /nfs/dbraw/zinc/91/12/06/821911206.db2.gz JPIAEIYKSBWYPC-RYUDHWBXSA-N 1 0 394.313 4.164 20 0 GIADRO C[C@@H](NC(=O)c1ccc(Oc2cccnc2)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181629773 821912604 /nfs/dbraw/zinc/91/26/04/821912604.db2.gz PKKVMDQEFNGVIV-IEBWSBKVSA-N 1 0 379.504 4.257 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CC2([C@@H](O)c3ccccc3)CC2)cc1Cn1cccn1 ZINC000181644916 821920284 /nfs/dbraw/zinc/92/02/84/821920284.db2.gz SPWFTSZOVMQLQO-JPYJTQIMSA-N 1 0 391.515 4.104 20 0 GIADRO C[C@H]([NH2+]CC1([C@@H](O)c2ccccc2)CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000181647282 821920659 /nfs/dbraw/zinc/92/06/59/821920659.db2.gz QRUVWOUDVPUWEM-KKSFZXQISA-N 1 0 379.504 4.135 20 0 GIADRO C[C@@H](NC(=O)c1ccc(OCc2ccccc2)nc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181659214 821927612 /nfs/dbraw/zinc/92/76/12/821927612.db2.gz GQEPEWIEFLZLTE-NQIIRXRSSA-N 1 0 393.531 4.043 20 0 GIADRO Cc1ccccc1NC(=O)CC[NH2+]C(C)(C)COc1ccc(C(F)(F)F)cn1 ZINC000181668717 821934022 /nfs/dbraw/zinc/93/40/22/821934022.db2.gz JPFJLTPICASYDS-UHFFFAOYSA-N 1 0 395.425 4.185 20 0 GIADRO C[C@H](NC(=O)c1occc1COc1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181669191 821935003 /nfs/dbraw/zinc/93/50/03/821935003.db2.gz NXAOSGQNOUCXSZ-ZWKOTPCHSA-N 1 0 382.504 4.241 20 0 GIADRO Cc1ccc(-c2nc(CC(=O)N[C@@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)cs2)cc1 ZINC000181676159 821939235 /nfs/dbraw/zinc/93/92/35/821939235.db2.gz YWDRBSCKYARWBW-HKUYNNGSSA-N 1 0 397.588 4.430 20 0 GIADRO Cc1ccc(-c2nc(CC(=O)N[C@@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)cs2)cc1 ZINC000181676118 821939303 /nfs/dbraw/zinc/93/93/03/821939303.db2.gz YWDRBSCKYARWBW-PKOBYXMFSA-N 1 0 397.588 4.430 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CCc2ccc(NC(C)=O)cc2)c(Br)c1 ZINC000181682265 821941830 /nfs/dbraw/zinc/94/18/30/821941830.db2.gz BQVWWCGGBOHJAU-CYBMUJFWSA-N 1 0 391.309 4.309 20 0 GIADRO COC(=O)c1ccc(CN[C@@H](C)c2cc(Br)ccc2F)cc1OC ZINC000181685659 821943897 /nfs/dbraw/zinc/94/38/97/821943897.db2.gz YSKUUPPWWVEOEU-NSHDSACASA-N 1 0 396.256 4.234 20 0 GIADRO O=C(CC[N@@H+]1CCCCC[C@@H]1c1ccco1)Nc1cc([N+](=O)[O-])ccc1F ZINC000181711233 821955218 /nfs/dbraw/zinc/95/52/18/821955218.db2.gz VEXHZJKIWBAXJL-QGZVFWFLSA-N 1 0 375.400 4.273 20 0 GIADRO CCCCO[C@H]1C[C@@H]([NH2+]CC2CCN(Cc3nc(C)c(C)o3)CC2)C1(C)C ZINC000181741058 821971285 /nfs/dbraw/zinc/97/12/85/821971285.db2.gz TZBGOJVJGSCCTE-UXHICEINSA-N 1 0 377.573 4.077 20 0 GIADRO CCCCO[C@@H]1C[C@H]([NH2+]CC2CCN(Cc3nc(C)c(C)o3)CC2)C1(C)C ZINC000181740885 821971537 /nfs/dbraw/zinc/97/15/37/821971537.db2.gz TZBGOJVJGSCCTE-VQTJNVASSA-N 1 0 377.573 4.077 20 0 GIADRO CCC1(CC)[C@H]([NH2+]Cc2cccc(NC(=O)NCc3ccncc3)c2)C[C@H]1OC ZINC000181748697 821975140 /nfs/dbraw/zinc/97/51/40/821975140.db2.gz QSRUPEBURSQBAY-NHCUHLMSSA-N 1 0 396.535 4.087 20 0 GIADRO CCC1(CC)[C@H]([NH2+]Cc2cccc(NC(=O)NCc3ccncc3)c2)C[C@@H]1OC ZINC000181748660 821975175 /nfs/dbraw/zinc/97/51/75/821975175.db2.gz QSRUPEBURSQBAY-RTWAWAEBSA-N 1 0 396.535 4.087 20 0 GIADRO CC[C@H]([NH2+]Cc1ccccc1Oc1ccccc1)c1cccc(S(N)(=O)=O)c1 ZINC000181749798 821975498 /nfs/dbraw/zinc/97/54/98/821975498.db2.gz OPWFUPNIMPCKBN-NRFANRHFSA-N 1 0 396.512 4.367 20 0 GIADRO Cc1cc2cc(C(=O)N3CCC[C@@H]4C[N@H+](C)CC[C@H]43)oc2c(Br)c1 ZINC000181757375 821979206 /nfs/dbraw/zinc/97/92/06/821979206.db2.gz YHPADACIYKRQPX-CZUORRHYSA-N 1 0 391.309 4.060 20 0 GIADRO CC(C)C[C@H]([NH2+]CC1CCS(=O)(=O)CC1)c1cccc(C(F)(F)F)c1 ZINC000181758223 821979466 /nfs/dbraw/zinc/97/94/66/821979466.db2.gz AIDLMOADOLYBNQ-KRWDZBQOSA-N 1 0 377.472 4.207 20 0 GIADRO CC(C)C[C@@H]([NH2+]CC1CCS(=O)(=O)CC1)c1cccc(C(F)(F)F)c1 ZINC000181758243 821979777 /nfs/dbraw/zinc/97/97/77/821979777.db2.gz AIDLMOADOLYBNQ-QGZVFWFLSA-N 1 0 377.472 4.207 20 0 GIADRO COc1ccc(C(=O)c2ccccc2C(=O)Nc2cccc(C[NH+](C)C)c2)cc1 ZINC000181779706 821989408 /nfs/dbraw/zinc/98/94/08/821989408.db2.gz HSAMLDCKNSBKJI-UHFFFAOYSA-N 1 0 388.467 4.240 20 0 GIADRO Clc1ccc(-c2noc(CC[NH2+]Cc3c(C4CC4)nc4sccn34)n2)cc1 ZINC000181785737 821991409 /nfs/dbraw/zinc/99/14/09/821991409.db2.gz GJVTZPVDADCOIG-UHFFFAOYSA-N 1 0 399.907 4.309 20 0 GIADRO CCC[C@@H]([NH2+]CC(=O)N[C@@H](c1nccs1)c1ccccc1)c1ccccc1 ZINC000181787866 821992469 /nfs/dbraw/zinc/99/24/69/821992469.db2.gz UNOHMXIFODXUAP-TZIWHRDSSA-N 1 0 379.529 4.480 20 0 GIADRO COc1ccc([C@H](C)[NH2+]C[C@@H](CCO)c2ccccc2)c(Br)c1 ZINC000181794945 821995112 /nfs/dbraw/zinc/99/51/12/821995112.db2.gz DEGSACITUHYBAQ-GOEBONIOSA-N 1 0 378.310 4.275 20 0 GIADRO C[C@H]([NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1C(F)(F)F ZINC000181804385 821999803 /nfs/dbraw/zinc/99/98/03/821999803.db2.gz DIWARGPZYUSKKZ-RDJZCZTQSA-N 1 0 376.422 4.405 20 0 GIADRO O=C1C[C@@H](C[NH2+][C@H]2CC3(CCCC3)Oc3ccccc32)CN1Cc1ccccc1 ZINC000181808979 822001639 /nfs/dbraw/zinc/00/16/39/822001639.db2.gz JBRWPXHNIWWSMU-UNMCSNQZSA-N 1 0 390.527 4.461 20 0 GIADRO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1)[C@@H](C)c1nc2ccccc2s1 ZINC000181808848 822001824 /nfs/dbraw/zinc/00/18/24/822001824.db2.gz XVYKOLYVWKRRHA-LMMKCTJWSA-N 1 0 393.556 4.427 20 0 GIADRO C[C@H]([NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1)[C@H](C)c1nc2ccccc2s1 ZINC000181808909 822001880 /nfs/dbraw/zinc/00/18/80/822001880.db2.gz XVYKOLYVWKRRHA-LNLFQRSKSA-N 1 0 393.556 4.427 20 0 GIADRO C[C@@H]([NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1)c1cccc(C(F)(F)F)c1 ZINC000181818597 822005383 /nfs/dbraw/zinc/00/53/83/822005383.db2.gz MCTCKQDOQNSXLW-NVXWUHKLSA-N 1 0 376.422 4.405 20 0 GIADRO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1OC(F)(F)F ZINC000181819658 822005693 /nfs/dbraw/zinc/00/56/93/822005693.db2.gz ZVYVDUNWQWGSJH-WBVHZDCISA-N 1 0 392.421 4.285 20 0 GIADRO COc1cc([C@@H](C)[NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)ccc1SC ZINC000181822337 822006844 /nfs/dbraw/zinc/00/68/44/822006844.db2.gz QLGHOFKSCXHWGG-SJLPKXTDSA-N 1 0 384.545 4.116 20 0 GIADRO O=C1C[C@@H](C[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)CN1Cc1ccccc1 ZINC000181826728 822008621 /nfs/dbraw/zinc/00/86/21/822008621.db2.gz UCBONXVEXBWJRS-CVDCTZTESA-N 1 0 390.527 4.027 20 0 GIADRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccccc2Br)cc1[N+](=O)[O-] ZINC000181829879 822010126 /nfs/dbraw/zinc/01/01/26/822010126.db2.gz ACRDRARVJUHYEF-SJKOYZFVSA-N 1 0 379.254 4.050 20 0 GIADRO CC(C)OCCCCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000181857902 822017982 /nfs/dbraw/zinc/01/79/82/822017982.db2.gz JVWNKZBKCUQTCI-SFHVURJKSA-N 1 0 381.586 4.026 20 0 GIADRO C[C@H](C[NH2+][C@H](c1ccccc1)c1cc(Cl)ccc1Cl)CS(C)(=O)=O ZINC000181888291 822027574 /nfs/dbraw/zinc/02/75/74/822027574.db2.gz GGBXEGWDGYEQLZ-FZKQIMNGSA-N 1 0 386.344 4.353 20 0 GIADRO C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000181890298 822027980 /nfs/dbraw/zinc/02/79/80/822027980.db2.gz JQCQKQAJRQQFII-AEFFLSMTSA-N 1 0 397.485 4.296 20 0 GIADRO CC(C)N(CC[NH+](C)C)C(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1 ZINC000181890876 822028414 /nfs/dbraw/zinc/02/84/14/822028414.db2.gz AKTDMBIDUVMBFU-UHFFFAOYSA-N 1 0 376.888 4.331 20 0 GIADRO CC(=O)c1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(N2CCCC2)c1 ZINC000181892288 822028559 /nfs/dbraw/zinc/02/85/59/822028559.db2.gz RUMXHHHGMVQNLX-IRXDYDNUSA-N 1 0 379.504 4.167 20 0 GIADRO Cc1ccc(C[C@H](C)C(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)cc1 ZINC000181899429 822030751 /nfs/dbraw/zinc/03/07/51/822030751.db2.gz CELXEYSBJRYLSR-SFTDATJTSA-N 1 0 394.559 4.190 20 0 GIADRO COc1ccccc1-c1cccc(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000181908299 822034144 /nfs/dbraw/zinc/03/41/44/822034144.db2.gz OSWQPMUDWBRKMO-GOSISDBHSA-N 1 0 379.504 4.312 20 0 GIADRO COc1ccccc1[C@H](C[NH2+][C@@H](C)c1ccc(NC(C)=O)cc1)N1CCCC1 ZINC000181913636 822035353 /nfs/dbraw/zinc/03/53/53/822035353.db2.gz MUZRRXKOCABTLL-JTSKRJEESA-N 1 0 381.520 4.141 20 0 GIADRO CCC(CC)[C@H]1C[C@H](NC(=O)N(CC)Cc2ccc(C[NH+](C)C)cc2)CCO1 ZINC000181958693 822045939 /nfs/dbraw/zinc/04/59/39/822045939.db2.gz PZYWEBZVRQYRCN-FGZHOGPDSA-N 1 0 389.584 4.264 20 0 GIADRO Brc1ccccc1CCC[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000181977699 822050993 /nfs/dbraw/zinc/05/09/93/822050993.db2.gz UPWPRNBCPXDSGY-SFHVURJKSA-N 1 0 382.342 4.042 20 0 GIADRO CC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H](O)COc2cccc(Cl)c2Cl)cc1 ZINC000181999589 822058516 /nfs/dbraw/zinc/05/85/16/822058516.db2.gz SUXXHJWWZXZPSO-WBMJQRKESA-N 1 0 397.302 4.042 20 0 GIADRO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000182021640 822065247 /nfs/dbraw/zinc/06/52/47/822065247.db2.gz VRAFBGKZPYHVKZ-ZRGWGRIASA-N 1 0 391.357 4.029 20 0 GIADRO COCCC(=O)N1CCC([NH2+][C@@H](C)c2cc3c(ccc4ccccc34)o2)CC1 ZINC000182029856 822067559 /nfs/dbraw/zinc/06/75/59/822067559.db2.gz CVOBVUBVQRKCKF-INIZCTEOSA-N 1 0 380.488 4.264 20 0 GIADRO CCC[C@@H]1CN(C(=O)c2ccc(C)c(NC(C)=O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000182054683 822076055 /nfs/dbraw/zinc/07/60/55/822076055.db2.gz FVGWIKLQLCWOIX-JOCHJYFZSA-N 1 0 393.531 4.080 20 0 GIADRO C[C@H](c1ccccn1)[N@H+](C)Cc1cc(Br)c2c(c1)OCCCO2 ZINC000182064550 822078920 /nfs/dbraw/zinc/07/89/20/822078920.db2.gz DFMJVAJBOKXVEU-CYBMUJFWSA-N 1 0 377.282 4.198 20 0 GIADRO C/C(=C\c1ccccc1Cl)C(=O)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC000182065498 822079651 /nfs/dbraw/zinc/07/96/51/822079651.db2.gz LSQBQPCRXVCFNP-JQIJEIRASA-N 1 0 384.907 4.339 20 0 GIADRO Cn1ccnc1C[C@H]1CCC[N@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000182089414 822088635 /nfs/dbraw/zinc/08/86/35/822088635.db2.gz QIFWNBAGRDPBQZ-OAHLLOKOSA-N 1 0 399.336 4.186 20 0 GIADRO Cn1ccnc1C[C@@H]1CCC[N@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000182089397 822088868 /nfs/dbraw/zinc/08/88/68/822088868.db2.gz QIFWNBAGRDPBQZ-HNNXBMFYSA-N 1 0 399.336 4.186 20 0 GIADRO CCc1c2ccccc2oc1[C@@H](C)[NH2+][C@@H](C)Cn1ncc2ccccc2c1=O ZINC000182092545 822090613 /nfs/dbraw/zinc/09/06/13/822090613.db2.gz FWSKFFBDJPGZAB-JKSUJKDBSA-N 1 0 375.472 4.444 20 0 GIADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)CCCc1ncc(-c2ccccc2)o1 ZINC000182096527 822092576 /nfs/dbraw/zinc/09/25/76/822092576.db2.gz SMGWVPHGTNCXDB-LJQANCHMSA-N 1 0 391.515 4.301 20 0 GIADRO CCC(CC)(C[NH2+][C@H](C)c1ccc(NC(C)=O)cc1)NC(=O)OC(C)(C)C ZINC000182104856 822095187 /nfs/dbraw/zinc/09/51/87/822095187.db2.gz QKQXCTZVSQGPCU-OAHLLOKOSA-N 1 0 377.529 4.379 20 0 GIADRO CC(C)Sc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000182111505 822098588 /nfs/dbraw/zinc/09/85/88/822098588.db2.gz FQEHXVSBHVZAEP-KGLIPLIRSA-N 1 0 398.532 4.035 20 0 GIADRO Cc1cc(Cl)c(C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)cc1C ZINC000182137808 822112147 /nfs/dbraw/zinc/11/21/47/822112147.db2.gz WMNLYEZLMDSYQA-UHFFFAOYSA-N 1 0 386.923 4.413 20 0 GIADRO CCCC[C@@H]([NH2+]CC(=O)N1CCC[C@H](C(F)(F)F)C1)c1ccc(OC)cc1 ZINC000182152477 822119563 /nfs/dbraw/zinc/11/95/63/822119563.db2.gz AOWQICNTOCDJFC-FUHWJXTLSA-N 1 0 386.458 4.317 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+][C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)s1 ZINC000182154317 822120308 /nfs/dbraw/zinc/12/03/08/822120308.db2.gz XYIRGOHQQKMART-XNAIMREJSA-N 1 0 382.476 4.099 20 0 GIADRO COc1cc(C[NH2+]CCc2c[nH]c3cccc(C)c23)ccc1OC(=O)C1CC1 ZINC000182153828 822120319 /nfs/dbraw/zinc/12/03/19/822120319.db2.gz ABJDALHGEBPINO-UHFFFAOYSA-N 1 0 378.472 4.133 20 0 GIADRO CC(=O)Nc1ccc([C@@H](C)[NH2+][C@H](C)Cc2cc(C)nn2-c2ccccc2)cc1 ZINC000182160248 822123871 /nfs/dbraw/zinc/12/38/71/822123871.db2.gz XMGDPTRHBVLFSZ-SJLPKXTDSA-N 1 0 376.504 4.421 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCCOc2c(Cl)cccc21)c1ccc(NS(C)(=O)=O)cc1 ZINC000182177548 822133834 /nfs/dbraw/zinc/13/38/34/822133834.db2.gz LIWKQEXCOVNHSM-SCLBCKFNSA-N 1 0 394.924 4.276 20 0 GIADRO Cc1ccc(C(=O)NCC[C@@H](C)[NH+]2CCCCC2)cc1NC(=O)c1ccccc1 ZINC000182232528 822158456 /nfs/dbraw/zinc/15/84/56/822158456.db2.gz RJMKIBJBNLAALI-LJQANCHMSA-N 1 0 393.531 4.242 20 0 GIADRO CC[C@H]([NH2+]CC(=O)Nc1nc(CN2CCCC2)cs1)c1ccc(Cl)cc1 ZINC000182307075 822196725 /nfs/dbraw/zinc/19/67/25/822196725.db2.gz XIIHLPQFYWGLNC-KRWDZBQOSA-N 1 0 392.956 4.072 20 0 GIADRO C[C@@H]([NH2+]C1(c2cccc(C(F)(F)F)c2)CCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000182330989 822204743 /nfs/dbraw/zinc/20/47/43/822204743.db2.gz SBFJAVSYAOWKSB-CYBMUJFWSA-N 1 0 398.450 4.083 20 0 GIADRO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2c(F)cc(F)cc2Br)cc1 ZINC000182335125 822206089 /nfs/dbraw/zinc/20/60/89/822206089.db2.gz VYEWWIZXOPOBIH-LLVKDONJSA-N 1 0 383.236 4.325 20 0 GIADRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)c1 ZINC000182350198 822210824 /nfs/dbraw/zinc/21/08/24/822210824.db2.gz WHYHWNJTFIDTHD-MNOVXSKESA-N 1 0 383.275 4.385 20 0 GIADRO CC(C)Oc1cccc(CC(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)c1 ZINC000182356404 822213454 /nfs/dbraw/zinc/21/34/54/822213454.db2.gz CLDPNFKDXZTMPK-UHFFFAOYSA-N 1 0 395.547 4.185 20 0 GIADRO COc1cccc(/C(C)=C/C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)c1 ZINC000182359228 822214519 /nfs/dbraw/zinc/21/45/19/822214519.db2.gz HNPSQWQEYUZECJ-FBMGVBCBSA-N 1 0 393.531 4.268 20 0 GIADRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000182359998 822214936 /nfs/dbraw/zinc/21/49/36/822214936.db2.gz LBQMXZOTJPYPSX-LBPRGKRZSA-N 1 0 397.302 4.017 20 0 GIADRO C[C@H](CC(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1)c1cccc(F)c1 ZINC000182362463 822215971 /nfs/dbraw/zinc/21/59/71/822215971.db2.gz IRGMJADEEQGNCJ-QGZVFWFLSA-N 1 0 383.511 4.488 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)CCCOc3cccc(F)c3)cc2)CC1 ZINC000182371882 822219103 /nfs/dbraw/zinc/21/91/03/822219103.db2.gz RWADYAHIJTXJEZ-UHFFFAOYSA-N 1 0 399.510 4.154 20 0 GIADRO C[C@H](NC(=O)NCc1ccccc1OC(F)(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182380164 822222213 /nfs/dbraw/zinc/22/22/13/822222213.db2.gz ZFFCVEYOPAWQDT-HOCLYGCPSA-N 1 0 399.457 4.037 20 0 GIADRO COc1ccc([C@@H](CCO)[NH2+]CCCC(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000182386514 822224675 /nfs/dbraw/zinc/22/46/75/822224675.db2.gz RITZUQPFNJAIHQ-OAQYLSRUSA-N 1 0 384.520 4.052 20 0 GIADRO COc1ccc2ccccc2c1CNC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182391499 822226652 /nfs/dbraw/zinc/22/66/52/822226652.db2.gz VEBKUUKNZKIDKI-PKOBYXMFSA-N 1 0 395.547 4.301 20 0 GIADRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)c1 ZINC000182396887 822228740 /nfs/dbraw/zinc/22/87/40/822228740.db2.gz MCZFCNYMPVNYEJ-MNOVXSKESA-N 1 0 383.275 4.385 20 0 GIADRO COc1ccc([C@H](CCO)[NH2+]Cc2cc(=O)oc3cc(C)c(C(C)C)cc23)cc1 ZINC000182414673 822234586 /nfs/dbraw/zinc/23/45/86/822234586.db2.gz HKZOCTQZWBZEOJ-QFIPXVFZSA-N 1 0 395.499 4.447 20 0 GIADRO COC[C@@H](NCc1cn(-c2ccc(Cl)c(Cl)c2)nn1)c1ccccc1 ZINC000182432793 822240719 /nfs/dbraw/zinc/24/07/19/822240719.db2.gz XHQPNJKSCVCABC-GOSISDBHSA-N 1 0 377.275 4.051 20 0 GIADRO CCC[C@@H](C)C[NH2+][C@H](c1ccc(OC)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000182463509 822253019 /nfs/dbraw/zinc/25/30/19/822253019.db2.gz XITKPXUVVZBGBW-IIBYNOLFSA-N 1 0 375.534 4.214 20 0 GIADRO CCOc1ccccc1NC(=O)CC[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000177954260 822255898 /nfs/dbraw/zinc/25/58/98/822255898.db2.gz JHKDZQPXKRNNCU-UHFFFAOYSA-N 1 0 385.483 4.130 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1cccc(Br)c1Cl ZINC000182487640 822262650 /nfs/dbraw/zinc/26/26/50/822262650.db2.gz YISKYSYOERFGDX-CQSZACIVSA-N 1 0 397.700 4.262 20 0 GIADRO CC(C)(C)OC(=O)CCCC[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000182487459 822262764 /nfs/dbraw/zinc/26/27/64/822262764.db2.gz GXFMMJVQFTUTLQ-UHFFFAOYSA-N 1 0 375.435 4.051 20 0 GIADRO C[C@H](C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1)n1cnc2ccccc21 ZINC000177971222 822263403 /nfs/dbraw/zinc/26/34/03/822263403.db2.gz SXQPLZRJKKSROQ-RTBURBONSA-N 1 0 382.552 4.100 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCSc2c(F)cccc21)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000177971830 822263629 /nfs/dbraw/zinc/26/36/29/822263629.db2.gz WXODKQZDOPVVNV-BDJLRTHQSA-N 1 0 383.485 4.256 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCCc2cc(F)ccc21)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000182490505 822264002 /nfs/dbraw/zinc/26/40/02/822264002.db2.gz WAAGZFRTYRBLCZ-OYHNWAKOSA-N 1 0 382.479 4.211 20 0 GIADRO COc1ccc(OC)c([C@@H](C)[NH2+]CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000177975125 822265350 /nfs/dbraw/zinc/26/53/50/822265350.db2.gz HDFMYCKKHCFQLZ-CVEARBPZSA-N 1 0 378.513 4.002 20 0 GIADRO CCc1nc2c(s1)[C@H]([NH2+]CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)CCC2 ZINC000177976185 822266061 /nfs/dbraw/zinc/26/60/61/822266061.db2.gz BDADNGYMCAOTLQ-LSDHHAIUSA-N 1 0 379.570 4.320 20 0 GIADRO Cc1c([C@H](C)NCc2cccc(C[N@@H+](C)C(C)C)c2)nnn1-c1ccc(F)cc1 ZINC000177978683 822267426 /nfs/dbraw/zinc/26/74/26/822267426.db2.gz QDNFRUMKBWDQIM-KRWDZBQOSA-N 1 0 395.526 4.406 20 0 GIADRO C[NH+]1CCC(CCNC(=O)Nc2cc(Br)c(F)cc2Cl)CC1 ZINC000177990116 822272086 /nfs/dbraw/zinc/27/20/86/822272086.db2.gz PLUVVWHGSDGFML-UHFFFAOYSA-N 1 0 392.700 4.095 20 0 GIADRO O=C1CCCN1Cc1cccc(C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)c1 ZINC000177994692 822274754 /nfs/dbraw/zinc/27/47/54/822274754.db2.gz BTHOIQBLUAMBEL-NRFANRHFSA-N 1 0 376.500 4.345 20 0 GIADRO CCCOc1ccc(C(F)(F)F)cc1NC(=O)N1CC[C@@H](C[N@H+](C)CC)C1 ZINC000178002263 822278003 /nfs/dbraw/zinc/27/80/03/822278003.db2.gz BNVADPCXDZDCLK-AWEZNQCLSA-N 1 0 387.446 4.300 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(COc3cccc(F)c3)c2)C1 ZINC000178012467 822281843 /nfs/dbraw/zinc/28/18/43/822281843.db2.gz FNPFSIKHDQLBEY-SFHVURJKSA-N 1 0 385.483 4.210 20 0 GIADRO CC(=O)c1ccc(NC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)cc1Cl ZINC000182523816 822282053 /nfs/dbraw/zinc/28/20/53/822282053.db2.gz RJFKRCZIGLFDJF-UHFFFAOYSA-N 1 0 391.874 4.277 20 0 GIADRO CC[C@H](C)[N@H+](CCCOCc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000182524348 822282783 /nfs/dbraw/zinc/28/27/83/822282783.db2.gz LQJKJCIAWNWBPA-SFHVURJKSA-N 1 0 379.504 4.131 20 0 GIADRO C[C@H]([NH2+]C1CCN(C(=O)c2ccccc2F)CC1)c1ccc2ccccc2n1 ZINC000178017762 822283839 /nfs/dbraw/zinc/28/38/39/822283839.db2.gz YLFGYSHHJKWNSJ-INIZCTEOSA-N 1 0 377.463 4.329 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]CCNC(=O)c1ccccc1 ZINC000178019979 822285043 /nfs/dbraw/zinc/28/50/43/822285043.db2.gz UQOZCBHBLUGDGK-CQSZACIVSA-N 1 0 383.492 4.338 20 0 GIADRO Cc1nn(C)c(C)c1CC[NH2+][C@H](c1ccco1)c1ccc(Br)cc1 ZINC000182531981 822286471 /nfs/dbraw/zinc/28/64/71/822286471.db2.gz PANUKCPTZZJUJR-IBGZPJMESA-N 1 0 388.309 4.314 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CC(=O)N[C@@H](C)c2ccc3ccccc3c2)c1 ZINC000182534651 822287519 /nfs/dbraw/zinc/28/75/19/822287519.db2.gz UXVPVTLLXDXEME-SJORKVTESA-N 1 0 389.499 4.326 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+]CC(=O)N[C@@H](C)c2ccc3ccccc3c2)c1 ZINC000182534631 822287677 /nfs/dbraw/zinc/28/76/77/822287677.db2.gz UXVPVTLLXDXEME-IRXDYDNUSA-N 1 0 389.499 4.326 20 0 GIADRO CC[C@H]([NH2+]Cc1ccc(OCC(N)=O)c(OC)c1)c1ccc(Cl)c(Cl)c1 ZINC000178028148 822289423 /nfs/dbraw/zinc/28/94/23/822289423.db2.gz UDLUDYQEHGIXJR-INIZCTEOSA-N 1 0 397.302 4.107 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+]CC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)c1 ZINC000182537476 822289545 /nfs/dbraw/zinc/28/95/45/822289545.db2.gz OZHARURGGOUUCP-LSDHHAIUSA-N 1 0 387.911 4.169 20 0 GIADRO CCN(CC)C(=O)CCC1CC[NH+](CC(=O)c2c(C)[nH]c3ccccc32)CC1 ZINC000182544312 822293630 /nfs/dbraw/zinc/29/36/30/822293630.db2.gz MNNGEVFSRWUATP-UHFFFAOYSA-N 1 0 383.536 4.020 20 0 GIADRO O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)c1cccc(C[NH+]2CCCC2)c1 ZINC000182545349 822294181 /nfs/dbraw/zinc/29/41/81/822294181.db2.gz WAMAUZLVZSQWHF-RTWAWAEBSA-N 1 0 384.907 4.196 20 0 GIADRO COc1cc([C@H](C)[NH2+]CCc2csc3ccccc23)ccc1S(C)(=O)=O ZINC000178047727 822298950 /nfs/dbraw/zinc/29/89/50/822298950.db2.gz ADUCVGASFYBULI-AWEZNQCLSA-N 1 0 389.542 4.207 20 0 GIADRO C[C@@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccc(OCc2ccccc2)cc1 ZINC000178047888 822299037 /nfs/dbraw/zinc/29/90/37/822299037.db2.gz CZIBHGCQTKUIHU-GOSISDBHSA-N 1 0 385.471 4.092 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]Cc1cccnc1-n1cncn1 ZINC000178048374 822299152 /nfs/dbraw/zinc/29/91/52/822299152.db2.gz QIEBMUVGMBDFPA-ZDUSSCGKSA-N 1 0 394.479 4.084 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(-c2ncco2)cc1 ZINC000182557174 822301199 /nfs/dbraw/zinc/30/11/99/822301199.db2.gz RCMSKRCBNGRRQB-LJQANCHMSA-N 1 0 390.487 4.327 20 0 GIADRO COc1ccc(Cl)cc1[C@H](CC(C)C)[NH2+]Cc1cccnc1-n1cncn1 ZINC000178051671 822301639 /nfs/dbraw/zinc/30/16/39/822301639.db2.gz CBQAWDZXNYWFFA-SFHVURJKSA-N 1 0 385.899 4.201 20 0 GIADRO C[C@H]([NH2+]CC(=O)N1[C@H](C)CCC[C@H]1C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000182563595 822304073 /nfs/dbraw/zinc/30/40/73/822304073.db2.gz NAJJAVBKGUVSCM-QRVBRYPASA-N 1 0 393.531 4.379 20 0 GIADRO Cc1cccc2nc(C[NH2+][C@H](C)c3ccc(I)cc3)cn21 ZINC000178061417 822305268 /nfs/dbraw/zinc/30/52/68/822305268.db2.gz KEEQTZFGAFKBTF-CYBMUJFWSA-N 1 0 391.256 4.098 20 0 GIADRO CC(C)(C)OC(=O)NCCCOC1CC[NH+]([C@@H]2CCc3ccc(F)cc32)CC1 ZINC000178066579 822307494 /nfs/dbraw/zinc/30/74/94/822307494.db2.gz UFUVKKKYWJVDKL-HXUWFJFHSA-N 1 0 392.515 4.209 20 0 GIADRO CCCN(C(=O)[C@@H](C)c1c(C)n[nH]c1C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000182574760 822308595 /nfs/dbraw/zinc/30/85/95/822308595.db2.gz KRENOOLOQDTSGC-UWJYYQICSA-N 1 0 382.552 4.033 20 0 GIADRO COc1cccc([C@H](O)C[NH2+][C@H](C)c2cnn(-c3cc(C)ccc3C)c2C)c1 ZINC000178082706 822311957 /nfs/dbraw/zinc/31/19/57/822311957.db2.gz QNTKBKPRRNQPPE-UZUQRXQVSA-N 1 0 379.504 4.190 20 0 GIADRO COC[C@@H]([NH2+]CC1(c2ccccc2C)CCOCC1)c1ccc(F)c(F)c1 ZINC000182585808 822312685 /nfs/dbraw/zinc/31/26/85/822312685.db2.gz XVNHDXODSSPWBE-OAQYLSRUSA-N 1 0 375.459 4.299 20 0 GIADRO CCCOc1ccc([C@H](C)[NH2+]Cc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)cc1 ZINC000178086095 822313677 /nfs/dbraw/zinc/31/36/77/822313677.db2.gz UUKFEEHASSVHBJ-QRVBRYPASA-N 1 0 383.536 4.335 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@H](C)c2ccc(-n3cccn3)cc2)cc(OC)c1OC ZINC000178088046 822314120 /nfs/dbraw/zinc/31/41/20/822314120.db2.gz PDWSCCZBGOOFTO-HZPDHXFCSA-N 1 0 381.476 4.310 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21)C(=O)NC(C)(C)C ZINC000178097647 822317939 /nfs/dbraw/zinc/31/79/39/822317939.db2.gz PSOBDLQWBKWLBW-IUODEOHRSA-N 1 0 375.513 4.219 20 0 GIADRO C[C@H]([NH2+][C@H]1CCCc2nc(-c3ccc(F)cc3)sc21)C(=O)NC(C)(C)C ZINC000178097657 822318046 /nfs/dbraw/zinc/31/80/46/822318046.db2.gz PSOBDLQWBKWLBW-WFASDCNBSA-N 1 0 375.513 4.219 20 0 GIADRO CCOc1cc(Cl)ccc1C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000182623214 822326561 /nfs/dbraw/zinc/32/65/61/822326561.db2.gz IZZADRJBJSWZDR-OAHLLOKOSA-N 1 0 387.911 4.089 20 0 GIADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2ccnc(SC(C)(C)C)c2)CC1 ZINC000182623100 822326711 /nfs/dbraw/zinc/32/67/11/822326711.db2.gz FQQQPZDQTWOJQO-INIZCTEOSA-N 1 0 398.576 4.323 20 0 GIADRO Cc1cccc(C[NH2+]C2CCN(Cc3ccc(Br)cc3)CC2)c1O ZINC000182624251 822327318 /nfs/dbraw/zinc/32/73/18/822327318.db2.gz COEOESPJZBCTLP-UHFFFAOYSA-N 1 0 389.337 4.217 20 0 GIADRO C[C@H](CC(=O)N(C)C)[NH2+][C@H](c1ccccc1)c1ccc(Br)cc1F ZINC000178129751 822327640 /nfs/dbraw/zinc/32/76/40/822327640.db2.gz JCUSISSSWHRLBE-BFUOFWGJSA-N 1 0 393.300 4.134 20 0 GIADRO NC(=O)N1CCC([NH2+]C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000178129309 822327680 /nfs/dbraw/zinc/32/76/80/822327680.db2.gz ANVKCIPFBGCKOZ-UHFFFAOYSA-N 1 0 378.303 4.216 20 0 GIADRO Cc1cc(C)c(NC(=O)C[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)c(C)c1 ZINC000178133369 822328627 /nfs/dbraw/zinc/32/86/27/822328627.db2.gz KOVUOTQIAKKNSZ-GOSISDBHSA-N 1 0 379.504 4.028 20 0 GIADRO C[C@@H](Nc1ccc(N2CC[NH+](C)CC2)cc1)c1ccc(Br)s1 ZINC000182633489 822332044 /nfs/dbraw/zinc/33/20/44/822332044.db2.gz ABLASHFQAAMGRX-CYBMUJFWSA-N 1 0 380.355 4.436 20 0 GIADRO COCCOc1ccc([C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2OC)cc1OC ZINC000178150147 822334309 /nfs/dbraw/zinc/33/43/09/822334309.db2.gz PNZUNSYVVUGHJZ-GJZGRUSLSA-N 1 0 377.456 4.280 20 0 GIADRO COCCOc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(-n3cccn3)cc2)cc1OC ZINC000178150206 822334359 /nfs/dbraw/zinc/33/43/59/822334359.db2.gz PFAXIIGNVJRSCY-MSOLQXFVSA-N 1 0 395.503 4.318 20 0 GIADRO COCCOc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(-n3cccn3)cc2)cc1OC ZINC000178150226 822334410 /nfs/dbraw/zinc/33/44/10/822334410.db2.gz PFAXIIGNVJRSCY-QZTJIDSGSA-N 1 0 395.503 4.318 20 0 GIADRO COCCOc1ccc([C@H](C)[NH2+][C@@H]2CCOc3ccc(F)cc32)cc1OC ZINC000178151198 822334701 /nfs/dbraw/zinc/33/47/01/822334701.db2.gz XVERCXWAOIRKEG-KBXCAEBGSA-N 1 0 375.440 4.034 20 0 GIADRO O=C(NCc1ccc(Oc2cccnc2)c(F)c1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178155417 822336097 /nfs/dbraw/zinc/33/60/97/822336097.db2.gz WTBCFOIUAKOUMM-SFHVURJKSA-N 1 0 397.494 4.284 20 0 GIADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]Cc1cccc(Br)c1 ZINC000178162336 822337419 /nfs/dbraw/zinc/33/74/19/822337419.db2.gz DMNFTYOYOASDDC-LLVKDONJSA-N 1 0 382.689 4.004 20 0 GIADRO CC(C)[N@H+](C)Cc1cccc(CNCc2cc(O)ccc2Br)c1 ZINC000178162204 822337809 /nfs/dbraw/zinc/33/78/09/822337809.db2.gz UHESJUJBZKADBX-UHFFFAOYSA-N 1 0 377.326 4.285 20 0 GIADRO CC[C@H](NC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(F)cc1F ZINC000182651818 822339553 /nfs/dbraw/zinc/33/95/53/822339553.db2.gz SOGPGIKOJLFZNK-MDOVXXIYSA-N 1 0 379.495 4.368 20 0 GIADRO CN(C)C(=O)N1CCC([NH2+][C@@H](c2ccsc2)c2ccc(Cl)cc2)CC1 ZINC000182652432 822339833 /nfs/dbraw/zinc/33/98/33/822339833.db2.gz WRSVLQBSVUHSMX-GOSISDBHSA-N 1 0 377.941 4.227 20 0 GIADRO Cc1cc(N2CCSCC2)ccc1NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178172294 822340983 /nfs/dbraw/zinc/34/09/83/822340983.db2.gz GGVNUIAOTDULBO-GOSISDBHSA-N 1 0 387.593 4.141 20 0 GIADRO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CCNC(=O)c1ccccc1Cl ZINC000178171684 822341012 /nfs/dbraw/zinc/34/10/12/822341012.db2.gz JEHNDCHCGPBRLV-LBPRGKRZSA-N 1 0 379.957 4.483 20 0 GIADRO CC[C@@H]([NH2+]CCNC(=O)c1ccccc1Cl)c1ccccc1OC(F)F ZINC000178171649 822341030 /nfs/dbraw/zinc/34/10/30/822341030.db2.gz SSMYJAPSIZHBSM-MRXNPFEDSA-N 1 0 382.838 4.412 20 0 GIADRO CCOC(=O)C1CCC([NH2+][C@@H](C)[C@H](OC2CCOCC2)c2ccccc2)CC1 ZINC000182658645 822341811 /nfs/dbraw/zinc/34/18/11/822341811.db2.gz PBCNSNQFWVAFDJ-XMJMUYDCSA-N 1 0 389.536 4.023 20 0 GIADRO CCOc1cccc2cc([C@@H](C)[NH2+]CC(=O)N3CCC[C@H](C(F)(F)F)C3)oc21 ZINC000182663675 822343386 /nfs/dbraw/zinc/34/33/86/822343386.db2.gz XTVXYNDMXVFNQV-HIFRSBDPSA-N 1 0 398.425 4.283 20 0 GIADRO CCOc1cccc2cc([C@@H](C)[NH2+]CC(=O)N3CCC[C@@H](C(F)(F)F)C3)oc21 ZINC000182663710 822343443 /nfs/dbraw/zinc/34/34/43/822343443.db2.gz XTVXYNDMXVFNQV-UKRRQHHQSA-N 1 0 398.425 4.283 20 0 GIADRO COc1ccc([C@H](C)CCNC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000182666576 822344466 /nfs/dbraw/zinc/34/44/66/822344466.db2.gz DMDBCKMVVUNXPY-QWFCFKBJSA-N 1 0 387.568 4.141 20 0 GIADRO C[C@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)c1cc(Br)ccc1F ZINC000178183120 822345661 /nfs/dbraw/zinc/34/56/61/822345661.db2.gz GJZMMXPQIBYPGE-QWRGUYRKSA-N 1 0 383.227 4.123 20 0 GIADRO COc1cc([C@H](C)[NH2+]C[C@H](c2ccccc2Cl)N(C)C)cc(OC)c1OC ZINC000178188272 822347211 /nfs/dbraw/zinc/34/72/11/822347211.db2.gz SKDSWMCGNPRUKB-KBXCAEBGSA-N 1 0 392.927 4.319 20 0 GIADRO C[C@H](CNC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(F)cc1F ZINC000182680541 822349303 /nfs/dbraw/zinc/34/93/03/822349303.db2.gz TWJGAEKTZZGOGA-OWCLPIDISA-N 1 0 379.495 4.021 20 0 GIADRO CCN1CC[C@@H]([NH2+]Cc2c(C)nn(C)c2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000182680412 822349628 /nfs/dbraw/zinc/34/96/28/822349628.db2.gz OQDJTMFGSLMXBH-SJORKVTESA-N 1 0 385.314 4.100 20 0 GIADRO O=C(C[NH2+][C@H]1CC2(CCCC2)Oc2ccccc21)Nc1ccc(F)c(F)c1F ZINC000178203715 822352092 /nfs/dbraw/zinc/35/20/92/822352092.db2.gz DMHSZISWKZWXQC-INIZCTEOSA-N 1 0 390.405 4.469 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1c(F)cc(F)cc1Br)C1CCCCC1 ZINC000182701201 822354933 /nfs/dbraw/zinc/35/49/33/822354933.db2.gz UEKKUPONNZIKBH-SNVBAGLBSA-N 1 0 375.257 4.224 20 0 GIADRO CSCCCCCCNC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000182701199 822355148 /nfs/dbraw/zinc/35/51/48/822355148.db2.gz MBZXAZCWJSNLBU-SFHVURJKSA-N 1 0 377.598 4.435 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N(C)C[C@H](C)c2nccs2)CC1 ZINC000182701289 822355159 /nfs/dbraw/zinc/35/51/59/822355159.db2.gz RHFVLRFDCDTCOL-DLBZAZTESA-N 1 0 386.565 4.114 20 0 GIADRO C[C@@H]([NH2+]Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1)C1CCCCC1 ZINC000182703787 822355777 /nfs/dbraw/zinc/35/57/77/822355777.db2.gz REHCYZOKSRAZBC-CQSZACIVSA-N 1 0 378.563 4.272 20 0 GIADRO COCCOc1ccc([C@@H](C)[NH2+]C2CCN(c3ccccc3OC)CC2)cc1 ZINC000178229876 822356633 /nfs/dbraw/zinc/35/66/33/822356633.db2.gz SZCVKNQZUWDKNK-GOSISDBHSA-N 1 0 384.520 4.040 20 0 GIADRO CN(C)C(=O)Sc1cccc(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC000178233992 822357068 /nfs/dbraw/zinc/35/70/68/822357068.db2.gz JCHCKXJIPRSZGU-OAHLLOKOSA-N 1 0 375.538 4.053 20 0 GIADRO O=C(N[C@@H](c1ccco1)c1ccccc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000045027320 822358255 /nfs/dbraw/zinc/35/82/55/822358255.db2.gz ALZQFHWHPIYFKM-HSZRJFAPSA-N 1 0 389.499 4.333 20 0 GIADRO COc1ccc(C[N@@H+]2CCCN(C(=O)c3c[nH]cc3-c3ccccc3)CC2)cc1 ZINC000045033953 822358512 /nfs/dbraw/zinc/35/85/12/822358512.db2.gz TWFCYFVZBFMBBT-UHFFFAOYSA-N 1 0 389.499 4.038 20 0 GIADRO CC[C@H]([NH2+][C@H]1CCO[C@H](c2nccn2C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000453405440 822358507 /nfs/dbraw/zinc/35/85/07/822358507.db2.gz SNBJDEJGZOGBHS-XIRDDKMYSA-N 1 0 383.414 4.280 20 0 GIADRO C[NH+](C)C1(CNC(=O)c2cnn(C(C)(C)C)c2C(F)(F)F)CCCCCC1 ZINC000045038973 822358927 /nfs/dbraw/zinc/35/89/27/822358927.db2.gz ACAVIKIUCYFLLJ-UHFFFAOYSA-N 1 0 388.478 4.041 20 0 GIADRO Brc1cccc2c1OCCC[C@@H]2NC1CC[NH+](CC2CC2)CC1 ZINC000178254975 822359113 /nfs/dbraw/zinc/35/91/13/822359113.db2.gz YBRMCEVITCVICK-SFHVURJKSA-N 1 0 379.342 4.127 20 0 GIADRO CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000178255413 822359298 /nfs/dbraw/zinc/35/92/98/822359298.db2.gz NPYZAALWTHMDOG-GDMQMHGZSA-N 1 0 397.563 4.002 20 0 GIADRO CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000178255544 822359309 /nfs/dbraw/zinc/35/93/09/822359309.db2.gz NPYZAALWTHMDOG-OAGXWDRDSA-N 1 0 397.563 4.002 20 0 GIADRO Cc1nc2c(s1)[C@H]([NH2+][C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1)CCC2 ZINC000453422879 822360621 /nfs/dbraw/zinc/36/06/21/822360621.db2.gz XNFQGSULPLDKMB-CGTJXYLNSA-N 1 0 395.494 4.449 20 0 GIADRO CC(C)[N@@H+]1CCCN(c2nnc([C@H](C)Oc3ccc4ccccc4c3)n2C)CC1 ZINC000453422954 822360676 /nfs/dbraw/zinc/36/06/76/822360676.db2.gz LBHVFWAAXNOXKH-SFHVURJKSA-N 1 0 393.535 4.029 20 0 GIADRO Cc1cc(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)ccc1OC1CCOCC1 ZINC000178265212 822360874 /nfs/dbraw/zinc/36/08/74/822360874.db2.gz VILZXRCDTICYEY-GOSISDBHSA-N 1 0 386.536 4.146 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)cc1Cn1cccn1 ZINC000178268951 822361234 /nfs/dbraw/zinc/36/12/34/822361234.db2.gz ZUAYOXNACXQQEX-SJORKVTESA-N 1 0 393.487 4.123 20 0 GIADRO CCc1ccc(NC(=O)N(C)C2CC[NH+](CCc3ccccn3)CC2)cc1CC ZINC000182745235 822361412 /nfs/dbraw/zinc/36/14/12/822361412.db2.gz UNEKWOUREKIQLM-UHFFFAOYSA-N 1 0 394.563 4.377 20 0 GIADRO Cc1cc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccnc2C)sc1Br ZINC000453430232 822362093 /nfs/dbraw/zinc/36/20/93/822362093.db2.gz IRDNYOQVSFQPDR-RYUDHWBXSA-N 1 0 382.327 4.200 20 0 GIADRO COc1ccc([C@@H](C)NC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cc1F ZINC000045102428 822363022 /nfs/dbraw/zinc/36/30/22/822363022.db2.gz COQRJMKUVYRZIM-QGZVFWFLSA-N 1 0 399.510 4.168 20 0 GIADRO COc1ccc(C)cc1NC(=O)[C@H]([NH2+]CC[C@H]1CCCCO1)c1ccccc1 ZINC000182759085 822363335 /nfs/dbraw/zinc/36/33/35/822363335.db2.gz HGDBUOVQLDPQFE-DENIHFKCSA-N 1 0 382.504 4.232 20 0 GIADRO Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@@H]1CCCc2c(Br)cccc21 ZINC000453443079 822363738 /nfs/dbraw/zinc/36/37/38/822363738.db2.gz NOALYMMCJYHFNP-SCLBCKFNSA-N 1 0 388.309 4.147 20 0 GIADRO C[C@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)[C@H](C)c1nc2ccccc2s1 ZINC000178299148 822364725 /nfs/dbraw/zinc/36/47/25/822364725.db2.gz HPFAHDMJZLSWNW-GJZGRUSLSA-N 1 0 388.558 4.123 20 0 GIADRO C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(Oc2ccccc2)nc1 ZINC000178301364 822364933 /nfs/dbraw/zinc/36/49/33/822364933.db2.gz FGILRCKHBUKUJZ-CVDCTZTESA-N 1 0 388.515 4.269 20 0 GIADRO CC[C@@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1cccc(Br)c1 ZINC000178301400 822365035 /nfs/dbraw/zinc/36/50/35/822365035.db2.gz FOFNATHTUIDLFW-GOSISDBHSA-N 1 0 396.350 4.235 20 0 GIADRO CS(=O)(=O)Cc1ccccc1C[NH2+][C@H]1CCc2c1ccc(Cl)c2Cl ZINC000178302810 822365224 /nfs/dbraw/zinc/36/52/24/822365224.db2.gz XOKZBLXSOFCCIA-KRWDZBQOSA-N 1 0 384.328 4.315 20 0 GIADRO C[C@@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1ccc(SC(F)F)cc1 ZINC000178301821 822365288 /nfs/dbraw/zinc/36/52/88/822365288.db2.gz YVWQVXZKTPAPFZ-CYBMUJFWSA-N 1 0 385.501 4.397 20 0 GIADRO CCn1c(-c2cc(C)oc2C)nnc1N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000453452824 822366195 /nfs/dbraw/zinc/36/61/95/822366195.db2.gz UGXOMHUKYFNEII-UHFFFAOYSA-N 1 0 399.461 4.028 20 0 GIADRO CCn1c([C@@H]2CCCCO2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000453452664 822366224 /nfs/dbraw/zinc/36/62/24/822366224.db2.gz QEOWTPYJAROJKH-TYPHKJRUSA-N 1 0 397.567 4.029 20 0 GIADRO C[C@@H](NC(=O)NCc1ccccc1N1CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182782041 822366694 /nfs/dbraw/zinc/36/66/94/822366694.db2.gz HJBDJTRNJLHHLA-CTNGQTDRSA-N 1 0 398.595 4.129 20 0 GIADRO COc1cc([C@@H](C)[NH2+]CCSCc2ccccc2F)cc(OC)c1OC ZINC000178319454 822366878 /nfs/dbraw/zinc/36/68/78/822366878.db2.gz DMXLPTLWFMETNX-CQSZACIVSA-N 1 0 379.497 4.436 20 0 GIADRO COc1ccc(OC)c([C@H](C)[NH2+][C@@H](C)c2ccc(OCc3nccn3C)cc2)c1 ZINC000178356237 822370866 /nfs/dbraw/zinc/37/08/66/822370866.db2.gz WCNKCPTXXKYTPT-IRXDYDNUSA-N 1 0 395.503 4.428 20 0 GIADRO C[C@@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1ccc(F)cc1Br ZINC000178366057 822371714 /nfs/dbraw/zinc/37/17/14/822371714.db2.gz DTWJREYNHOZGES-SNVBAGLBSA-N 1 0 383.227 4.266 20 0 GIADRO CC[NH+](CC)Cc1cc([C@@H](C)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)ccc1OC ZINC000182818972 822372759 /nfs/dbraw/zinc/37/27/59/822372759.db2.gz PUGJRVQAABMMRS-CVEARBPZSA-N 1 0 397.519 4.430 20 0 GIADRO COc1cc(C[NH2+][C@@H]2CC(C)(C)Oc3cc(F)ccc32)cc(OC)c1OC ZINC000178378824 822372999 /nfs/dbraw/zinc/37/29/99/822372999.db2.gz JFILTHZHHNVPNB-MRXNPFEDSA-N 1 0 375.440 4.244 20 0 GIADRO CC[N@H+](Cc1cccc(C(=O)NCc2ccco2)c1)[C@H](C)c1cccc(O)c1 ZINC000178380083 822373241 /nfs/dbraw/zinc/37/32/41/822373241.db2.gz FEAPFZOKYBJNBL-QGZVFWFLSA-N 1 0 378.472 4.498 20 0 GIADRO C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)[C@@H](C[NH3+])c2ccccc2)cc1Cl ZINC000178391439 822374502 /nfs/dbraw/zinc/37/45/02/822374502.db2.gz WNSZWCUXSZBEOU-KXBFYZLASA-N 1 0 399.922 4.036 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCN(c2ncccc2F)C1)c1cc(Br)ccc1F ZINC000178423388 822377714 /nfs/dbraw/zinc/37/77/14/822377714.db2.gz CQSWUMHIKBIYKA-DGCLKSJQSA-N 1 0 382.252 4.052 20 0 GIADRO C[C@H]([NH2+][C@H]1CCN(c2ncccc2F)C1)c1cc(Br)ccc1F ZINC000178423397 822377781 /nfs/dbraw/zinc/37/77/81/822377781.db2.gz CQSWUMHIKBIYKA-AAEUAGOBSA-N 1 0 382.252 4.052 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@@H]1c1ccncc1)c1cccc(OC)c1 ZINC000045304857 822377787 /nfs/dbraw/zinc/37/77/87/822377787.db2.gz CDONKAMUIDVTDW-YADHBBJMSA-N 1 0 396.535 4.020 20 0 GIADRO CCN(c1ccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1)C(C)C ZINC000178429666 822378292 /nfs/dbraw/zinc/37/82/92/822378292.db2.gz ADVOZOACLHXRBV-XMSQKQJNSA-N 1 0 384.568 4.402 20 0 GIADRO O=C(Nc1ccc(OC(F)F)c(Cl)c1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000178430253 822378304 /nfs/dbraw/zinc/37/83/04/822378304.db2.gz PMTADHMGVTXNDB-MLGOLLRUSA-N 1 0 399.869 4.422 20 0 GIADRO C[C@@H]([NH2+]Cc1ccccc1OCC(F)(F)F)c1ccc2c(c1)CCC(=O)N2 ZINC000178436631 822378876 /nfs/dbraw/zinc/37/88/76/822378876.db2.gz FGEHCXNUUQDWGI-CYBMUJFWSA-N 1 0 378.394 4.363 20 0 GIADRO C[NH+](C)Cc1c2ccccc2oc1C(=O)N[C@@H]1CCCOc2cc(F)ccc21 ZINC000182851830 822379153 /nfs/dbraw/zinc/37/91/53/822379153.db2.gz DMGDJVJGWCDEPQ-GOSISDBHSA-N 1 0 382.435 4.277 20 0 GIADRO COc1ccccc1[C@@H](O)C[NH2+][C@H](C)c1cnn(-c2cccc(Cl)c2)c1C ZINC000178443719 822379542 /nfs/dbraw/zinc/37/95/42/822379542.db2.gz CSLVHYPZWOUIHU-VLIAUNLRSA-N 1 0 385.895 4.227 20 0 GIADRO CC(C)n1ncc2ccc(NC(=O)N3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cc21 ZINC000178449265 822380084 /nfs/dbraw/zinc/38/00/84/822380084.db2.gz QAEKPWOKTXAKPD-YLJYHZDGSA-N 1 0 381.524 4.098 20 0 GIADRO C[C@H](NC(=O)N(Cc1ccc(F)cc1)CC1CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182863056 822381436 /nfs/dbraw/zinc/38/14/36/822381436.db2.gz WBTLIAPGLQFAQD-PXNSSMCTSA-N 1 0 387.543 4.400 20 0 GIADRO CC[C@@H]([NH2+][C@@H](C)c1cc(OC)c(OC)cc1F)c1ccc2c(c1)OCCO2 ZINC000178480897 822383739 /nfs/dbraw/zinc/38/37/39/822383739.db2.gz UORQAXAJIMXMJX-SUMWQHHRSA-N 1 0 375.440 4.416 20 0 GIADRO Cc1cc(Br)c(C[NH2+][C@H](C)c2ccc(-n3ccnn3)cc2)s1 ZINC000453563462 822384877 /nfs/dbraw/zinc/38/48/77/822384877.db2.gz DJMWWKCEIBIWAH-GFCCVEGCSA-N 1 0 377.311 4.251 20 0 GIADRO Cc1cc(Br)c(C[NH+]2CCC(c3nnc4ccccn43)CC2)s1 ZINC000453563646 822385006 /nfs/dbraw/zinc/38/50/06/822385006.db2.gz NEQINGYJLPYSGY-UHFFFAOYSA-N 1 0 391.338 4.241 20 0 GIADRO O=C(NCc1ccccc1C[N@H+]1CCC[C@H]1CO)Nc1ccc2ccccc2c1 ZINC000182881168 822385262 /nfs/dbraw/zinc/38/52/62/822385262.db2.gz OMHNXDMWELSRLX-QHCPKHFHSA-N 1 0 389.499 4.118 20 0 GIADRO C[C@H](CN1CCCC1=O)[NH2+][C@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21 ZINC000178496338 822385304 /nfs/dbraw/zinc/38/53/04/822385304.db2.gz MAHOBULQGSXGHJ-CJNGLKHVSA-N 1 0 389.952 4.441 20 0 GIADRO Cc1cc(Br)c(C[N@@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)s1 ZINC000453566790 822385459 /nfs/dbraw/zinc/38/54/59/822385459.db2.gz STBDRJKNEPBBKH-ZDUSSCGKSA-N 1 0 387.387 4.193 20 0 GIADRO C[N@@H+]1CCCN(c2ccc(NC(=O)c3ccc(F)cc3C(F)(F)F)cc2)CC1 ZINC000178498749 822385487 /nfs/dbraw/zinc/38/54/87/822385487.db2.gz YMTVYUICWKQHBF-UHFFFAOYSA-N 1 0 395.400 4.239 20 0 GIADRO O=C(N[C@@H](c1cccs1)c1ccc(Cl)cc1)NC1CC[NH+](C2CC2)CC1 ZINC000045409762 822385552 /nfs/dbraw/zinc/38/55/52/822385552.db2.gz YOUKHBOYJMLZSX-LJQANCHMSA-N 1 0 389.952 4.417 20 0 GIADRO CCN(CC)C(=O)c1ccc(NC(=O)C[NH2+][C@H](C)c2cc(C)cc(C)c2)cc1 ZINC000182886780 822386217 /nfs/dbraw/zinc/38/62/17/822386217.db2.gz GDAQMJLEXQIIMS-GOSISDBHSA-N 1 0 381.520 4.075 20 0 GIADRO Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000045416640 822386649 /nfs/dbraw/zinc/38/66/49/822386649.db2.gz RAERXNXGTHUNMC-UHFFFAOYSA-N 1 0 392.528 4.123 20 0 GIADRO CC[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)c1cccc(Cl)c1 ZINC000453574507 822386705 /nfs/dbraw/zinc/38/67/05/822386705.db2.gz RBSLNLGSESVEDG-UXHICEINSA-N 1 0 399.922 4.095 20 0 GIADRO O=C(Nc1ccc(Br)c(Cl)c1)NC1CC[NH+](CC2CC2)CC1 ZINC000178516515 822387000 /nfs/dbraw/zinc/38/70/00/822387000.db2.gz HPRULAFDCVNMGS-UHFFFAOYSA-N 1 0 386.721 4.098 20 0 GIADRO Cc1cc(Br)c(CNc2ccccc2C[NH+]2CCC(O)CC2)s1 ZINC000453575253 822386889 /nfs/dbraw/zinc/38/68/89/822386889.db2.gz LDWRGKIEPNRRQY-UHFFFAOYSA-N 1 0 395.366 4.388 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)C(=O)N[C@H](c3ccccc3)C(C)(C)C)ccc21 ZINC000453578967 822387472 /nfs/dbraw/zinc/38/74/72/822387472.db2.gz VZCXKXJQPOQESK-NHCUHLMSSA-N 1 0 393.531 4.078 20 0 GIADRO Cc1cc(Br)c(C[NH2+]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)s1 ZINC000453579097 822387565 /nfs/dbraw/zinc/38/75/65/822387565.db2.gz BBTNGAMZUUIQAN-GWCFXTLKSA-N 1 0 386.277 4.392 20 0 GIADRO Cc1ccc(OC(F)F)c([C@H](C)[NH2+]CCCc2nnc3n2CCCCC3)c1 ZINC000178525283 822387927 /nfs/dbraw/zinc/38/79/27/822387927.db2.gz HKWIMMRCOMRFKZ-HNNXBMFYSA-N 1 0 378.467 4.198 20 0 GIADRO Nc1c(Br)cc(Br)cc1C[NH2+]CCC1CC(F)(F)C1 ZINC000453587040 822388922 /nfs/dbraw/zinc/38/89/22/822388922.db2.gz JQCLZVLUPXBIPR-UHFFFAOYSA-N 1 0 398.089 4.319 20 0 GIADRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1C(F)(F)F ZINC000178535137 822389251 /nfs/dbraw/zinc/38/92/51/822389251.db2.gz PIRBRXZCGGBGES-UHFFFAOYSA-N 1 0 394.412 4.487 20 0 GIADRO [NH3+]C[C@@H]1CCN(C(=O)c2sc(-c3ccccc3)cc2OCc2ccccc2)C1 ZINC000178540852 822389712 /nfs/dbraw/zinc/38/97/12/822389712.db2.gz STGBBOGKEBIQTF-SFHVURJKSA-N 1 0 392.524 4.415 20 0 GIADRO COc1ccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000178543147 822389904 /nfs/dbraw/zinc/38/99/04/822389904.db2.gz LLLNXJXRMNFSEO-DENIHFKCSA-N 1 0 379.504 4.214 20 0 GIADRO C[C@@H](NC(=O)N(C)Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182905228 822389836 /nfs/dbraw/zinc/38/98/36/822389836.db2.gz ANFUFUVNRQWARI-NVXWUHKLSA-N 1 0 397.485 4.500 20 0 GIADRO C[C@@H](NC(=O)N(C)Cc1ccc(C(F)(F)F)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182905271 822389896 /nfs/dbraw/zinc/38/98/96/822389896.db2.gz ANFUFUVNRQWARI-WBVHZDCISA-N 1 0 397.485 4.500 20 0 GIADRO COc1cc(OC)c(NC(=O)C[NH2+][C@@H](C)c2cc(C)cc(C)c2)cc1Cl ZINC000182907980 822390404 /nfs/dbraw/zinc/39/04/04/822390404.db2.gz PTWULMQASXPOKQ-AWEZNQCLSA-N 1 0 376.884 4.263 20 0 GIADRO C[C@H](NC(=O)Nc1ccccc1Br)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182908604 822390668 /nfs/dbraw/zinc/39/06/68/822390668.db2.gz OLIADJXOOROEIC-UONOGXRCSA-N 1 0 380.330 4.224 20 0 GIADRO C/C(=C/c1ccccc1OC(F)F)C[NH2+][C@@H](C)C(=O)Nc1cccnc1C ZINC000453604933 822391671 /nfs/dbraw/zinc/39/16/71/822391671.db2.gz CIIKRHFXBUOTCV-HVCHUGMYSA-N 1 0 375.419 4.012 20 0 GIADRO O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)c1cc2c(cc1F)NC(=O)CC2 ZINC000178562088 822391958 /nfs/dbraw/zinc/39/19/58/822391958.db2.gz ORIKFINSEWCJNA-UHFFFAOYSA-N 1 0 395.478 4.339 20 0 GIADRO COCCC[C@@H]([NH2+]Cc1ccc(CO)c(F)c1)c1ccc(Br)cc1 ZINC000178562813 822392061 /nfs/dbraw/zinc/39/20/61/822392061.db2.gz HASCWAYCNJETGP-LJQANCHMSA-N 1 0 396.300 4.338 20 0 GIADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)c2ccccc2C(F)(F)F)cc1 ZINC000178575149 822393149 /nfs/dbraw/zinc/39/31/49/822393149.db2.gz WQGIZOXWWUPJFA-OLZOCXBDSA-N 1 0 386.439 4.025 20 0 GIADRO COc1cc(OC)c(OC)cc1C[NH2+][C@@H](c1ccccc1)C1(CO)CCCC1 ZINC000453616298 822393649 /nfs/dbraw/zinc/39/36/49/822393649.db2.gz NODNOTOFSUDEHW-QFIPXVFZSA-N 1 0 385.504 4.096 20 0 GIADRO Cc1ncccc1NC(=O)[C@H](C)[NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000453620959 822394417 /nfs/dbraw/zinc/39/44/17/822394417.db2.gz XRCMVOHXZRKEBO-LBPRGKRZSA-N 1 0 392.286 4.089 20 0 GIADRO Cc1cc(C(=O)C[N@H+](C[C@@H]2CCOC2)C2CC2)c(C)n1CCc1cccs1 ZINC000178594843 822394880 /nfs/dbraw/zinc/39/48/80/822394880.db2.gz UKZZZNSVVIKRTE-SFHVURJKSA-N 1 0 386.561 4.093 20 0 GIADRO C[C@@H]([NH2+][C@H](C)[C@H](C)c1nc2ccccc2s1)C(=O)NCCc1ccccc1 ZINC000453624791 822395004 /nfs/dbraw/zinc/39/50/04/822395004.db2.gz JWPNWGPELGCUCV-GVDBMIGSSA-N 1 0 381.545 4.125 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)[C@H](C)c1nc2ccccc2s1)C(=O)NCCc1ccccc1 ZINC000453624795 822395022 /nfs/dbraw/zinc/39/50/22/822395022.db2.gz JWPNWGPELGCUCV-YESZJQIVSA-N 1 0 381.545 4.125 20 0 GIADRO COc1cc(C[N@@H+](Cc2cnn(C)c2)CC(C)C)ccc1OCC(F)(F)F ZINC000453626073 822395260 /nfs/dbraw/zinc/39/52/60/822395260.db2.gz RTAMZOFANUVOTP-UHFFFAOYSA-N 1 0 385.430 4.028 20 0 GIADRO C[C@@H]1CC[C@@H](C[NH2+]Cc2cc(Br)ccc2OCc2ccccn2)O1 ZINC000453633708 822396070 /nfs/dbraw/zinc/39/60/70/822396070.db2.gz RTJKZCSOCHYQFD-KDOFPFPSSA-N 1 0 391.309 4.080 20 0 GIADRO Cc1ccc(C)c([C@@H](C)N(C)C(=O)C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)c1 ZINC000453641113 822396988 /nfs/dbraw/zinc/39/69/88/822396988.db2.gz RGSHPFDOMCJWJJ-VGSWGCGISA-N 1 0 393.531 4.010 20 0 GIADRO CC(C)[C@@H](c1ccccc1)N(C)C(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000453639996 822397070 /nfs/dbraw/zinc/39/70/70/822397070.db2.gz CZIGGUQEVRYYKB-VXKWHMMOSA-N 1 0 393.531 4.030 20 0 GIADRO C[C@@H]([NH2+]CCc1ccc(Br)s1)c1ccc(N2CCOC2=O)cc1 ZINC000178638446 822398518 /nfs/dbraw/zinc/39/85/18/822398518.db2.gz SYFLNFSYYMHFOO-GFCCVEGCSA-N 1 0 395.322 4.361 20 0 GIADRO OCC[C@@H](C[NH2+][C@@H]1CCCOc2ccc(Br)cc21)c1ccccc1 ZINC000178644622 822399176 /nfs/dbraw/zinc/39/91/76/822399176.db2.gz RVTZZFLTSBDMQW-QFBILLFUSA-N 1 0 390.321 4.419 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]C[C@@H](CCO)c2ccccc2)cc1Br ZINC000178643728 822399242 /nfs/dbraw/zinc/39/92/42/822399242.db2.gz VJLGEIIBZJOIHL-RHSMWYFYSA-N 1 0 378.310 4.275 20 0 GIADRO COCCN1CCC([NH2+][C@H](C)c2ccc(OCc3ccc(F)cc3)cc2)CC1 ZINC000178657644 822400277 /nfs/dbraw/zinc/40/02/77/822400277.db2.gz OFOOWMZAYPSSMM-GOSISDBHSA-N 1 0 386.511 4.166 20 0 GIADRO COc1ccc2cc([C@H](C)[NH2+]Cc3ccccc3CS(C)(=O)=O)ccc2c1 ZINC000178661967 822400439 /nfs/dbraw/zinc/40/04/39/822400439.db2.gz NDTPTHWVVUZSDJ-INIZCTEOSA-N 1 0 383.513 4.244 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1cccc(OC(F)F)c1 ZINC000045617606 822400693 /nfs/dbraw/zinc/40/06/93/822400693.db2.gz QKGIENMAMBJMMY-UHFFFAOYSA-N 1 0 394.849 4.336 20 0 GIADRO CCCCc1ccc(NC(=O)C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)cc1 ZINC000453692678 822401037 /nfs/dbraw/zinc/40/10/37/822401037.db2.gz LSMQDXCNRPFQIG-OAQYLSRUSA-N 1 0 379.504 4.155 20 0 GIADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2cc3ccccc3c(Cl)n2)CC1 ZINC000178672827 822401465 /nfs/dbraw/zinc/40/14/65/822401465.db2.gz PVBKKYDGOZATJH-HNNXBMFYSA-N 1 0 394.906 4.239 20 0 GIADRO C[NH+]1CCN(c2ccc(NC(=O)CC3CCC(C(F)(F)F)CC3)cc2)CC1 ZINC000182968371 822401578 /nfs/dbraw/zinc/40/15/78/822401578.db2.gz NKJLRYCTELZCAQ-UHFFFAOYSA-N 1 0 383.458 4.136 20 0 GIADRO C[C@H](C(=O)Nc1ccc2nc(N3CCCC3)sc2c1)[C@@H]([NH3+])c1ccccc1 ZINC000178675435 822401924 /nfs/dbraw/zinc/40/19/24/822401924.db2.gz BSVSJQAPVAETKA-IFXJQAMLSA-N 1 0 380.517 4.171 20 0 GIADRO COc1ccc([C@@H](NC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)C(C)C)cc1 ZINC000045659377 822403385 /nfs/dbraw/zinc/40/33/85/822403385.db2.gz QRWCRDVZXYDPGW-OALUTQOASA-N 1 0 375.538 4.056 20 0 GIADRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@H](c1ccccc1)c1ccncc1 ZINC000178701814 822404041 /nfs/dbraw/zinc/40/40/41/822404041.db2.gz UZABYXWOKJAIBC-MGPUTAFESA-N 1 0 380.879 4.226 20 0 GIADRO O=C(Nc1c[nH]nc1-c1ccccc1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000178703386 822404068 /nfs/dbraw/zinc/40/40/68/822404068.db2.gz GOPCWZJCZZJMRA-SFHVURJKSA-N 1 0 378.451 4.067 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+][C@H](c2ccccc2)c2ccncc2)cc1 ZINC000178704153 822404258 /nfs/dbraw/zinc/40/42/58/822404258.db2.gz ZNDNBCLULCTYID-VGOFRKELSA-N 1 0 395.528 4.283 20 0 GIADRO CC[C@H](C)NC(=O)CC[NH2+][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000178717468 822405253 /nfs/dbraw/zinc/40/52/53/822405253.db2.gz SVTJQMYBCZQXEV-XJKSGUPXSA-N 1 0 375.513 4.221 20 0 GIADRO Cc1cc([C@H](C)[NH2+]CC(=O)N[C@@H](c2nccs2)c2ccccc2)c(C)s1 ZINC000182986931 822405654 /nfs/dbraw/zinc/40/56/54/822405654.db2.gz RVGFAPBBSJHSMA-IFXJQAMLSA-N 1 0 385.558 4.378 20 0 GIADRO Brc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(-n3cncn3)cc1)CCCO2 ZINC000178741885 822406583 /nfs/dbraw/zinc/40/65/83/822406583.db2.gz DVWZIUPKTAZMEX-SFHVURJKSA-N 1 0 399.292 4.033 20 0 GIADRO COc1ccc(Br)c(C[NH2+]C2(c3ccc(F)cc3)CCOCC2)c1 ZINC000178746900 822406942 /nfs/dbraw/zinc/40/69/42/822406942.db2.gz RWLVDXQCRABQJJ-UHFFFAOYSA-N 1 0 394.284 4.392 20 0 GIADRO O=C(Cc1cc2c(ccc3ccccc23)o1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000178750537 822407183 /nfs/dbraw/zinc/40/71/83/822407183.db2.gz QFOHDXREFWZHMQ-UHFFFAOYSA-N 1 0 399.494 4.304 20 0 GIADRO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(N[C@H](c2ccc(Cl)cc2)C2CC2)c1 ZINC000183005411 822409616 /nfs/dbraw/zinc/40/96/16/822409616.db2.gz LAOARGSUMINOAS-RTWAWAEBSA-N 1 0 383.923 4.353 20 0 GIADRO CCC[C@@H](Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1)c1ccc(OC)cc1 ZINC000183007370 822410409 /nfs/dbraw/zinc/41/04/09/822410409.db2.gz RZYMBVRKXNGYAN-FGZHOGPDSA-N 1 0 381.520 4.098 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cc1C ZINC000045757031 822410858 /nfs/dbraw/zinc/41/08/58/822410858.db2.gz YISGXSXRVRSJLB-UHFFFAOYSA-N 1 0 394.519 4.048 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@H](C)c2ccc(OC[C@@H]3CCCCO3)c(F)c2)cnn1C ZINC000178800354 822411258 /nfs/dbraw/zinc/41/12/58/822411258.db2.gz LLMQMDCDSROCDQ-VKJFTORMSA-N 1 0 375.488 4.227 20 0 GIADRO C[C@H](NC(=O)[C@H](C)N1CC[NH+](C2CCCC2)CC1)c1ccc(Cl)cc1Cl ZINC000045767670 822411421 /nfs/dbraw/zinc/41/14/21/822411421.db2.gz PVYGIABBZMPMPZ-GJZGRUSLSA-N 1 0 398.378 4.119 20 0 GIADRO C[C@@H]([NH3+])C1CCN(C(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)CC1 ZINC000178805034 822412153 /nfs/dbraw/zinc/41/21/53/822412153.db2.gz MGCFSPFQTIMGBK-SNVBAGLBSA-N 1 0 384.332 4.316 20 0 GIADRO Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000178809238 822412573 /nfs/dbraw/zinc/41/25/73/822412573.db2.gz JNXVRKJBXJGKGZ-GOSISDBHSA-N 1 0 388.515 4.047 20 0 GIADRO C[C@@H]([NH3+])C1CCN(C(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)CC1 ZINC000178809289 822412643 /nfs/dbraw/zinc/41/26/43/822412643.db2.gz LCTRBVUZSMWSJZ-CYBMUJFWSA-N 1 0 392.425 4.043 20 0 GIADRO CCC(C)(C)NC(=O)c1ccc(NC(=O)C[C@@H]([NH3+])c2ccccc2)cc1Cl ZINC000178811141 822412770 /nfs/dbraw/zinc/41/27/70/822412770.db2.gz SWRSDUMQYBMJOD-GOSISDBHSA-N 1 0 387.911 4.287 20 0 GIADRO Cc1c(N[C@H](C)c2ccc(OCC[NH+](C)C)cc2)cccc1C(=O)N1CCCC1 ZINC000183023103 822412880 /nfs/dbraw/zinc/41/28/80/822412880.db2.gz DQXRRSCXNZINEW-LJQANCHMSA-N 1 0 395.547 4.345 20 0 GIADRO Cc1noc(C)c1CN(C)C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000045780061 822412849 /nfs/dbraw/zinc/41/28/49/822412849.db2.gz CBVZYMUJFXRPMJ-INIZCTEOSA-N 1 0 384.524 4.007 20 0 GIADRO Cc1cc([C@H]2CCCN2C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)on1 ZINC000045780718 822413000 /nfs/dbraw/zinc/41/30/00/822413000.db2.gz DJKAHTNNZNBPDW-GHTZIAJQSA-N 1 0 396.535 4.404 20 0 GIADRO Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000178817653 822413405 /nfs/dbraw/zinc/41/34/05/822413405.db2.gz WFMXQIGCBAUJCC-XYPWUTKMSA-N 1 0 375.925 4.127 20 0 GIADRO CC(C)CCN(C(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1)C1CC1 ZINC000045787253 822413440 /nfs/dbraw/zinc/41/34/40/822413440.db2.gz JSBSVGANQNUHCD-OALUTQOASA-N 1 0 387.568 4.016 20 0 GIADRO C[C@H]([NH3+])C1CCN(C(=O)c2oc3ccccc3c2COc2ccccc2)CC1 ZINC000178818676 822413669 /nfs/dbraw/zinc/41/36/69/822413669.db2.gz WIBVCZKQBNXDNH-INIZCTEOSA-N 1 0 378.472 4.211 20 0 GIADRO C[C@H]([NH3+])C1CCN(C(=O)c2ccc(-c3ccc(Br)cc3)s2)CC1 ZINC000178823355 822413948 /nfs/dbraw/zinc/41/39/48/822413948.db2.gz NFNGJUAYFKCYOE-LBPRGKRZSA-N 1 0 393.350 4.377 20 0 GIADRO CCN(Cc1ccncc1)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000045789377 822414032 /nfs/dbraw/zinc/41/40/32/822414032.db2.gz DDHYGKAIPNADCW-IBGZPJMESA-N 1 0 380.536 4.045 20 0 GIADRO Cc1nc2ccccc2nc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000178826626 822414412 /nfs/dbraw/zinc/41/44/12/822414412.db2.gz JJIWXNLEEDSIBA-JWTNVVGKSA-N 1 0 396.535 4.301 20 0 GIADRO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1C ZINC000045812904 822415637 /nfs/dbraw/zinc/41/56/37/822415637.db2.gz IBLCYGNYPZMCJK-DLBZAZTESA-N 1 0 379.504 4.330 20 0 GIADRO COc1ccc(C(=O)N(C)CC[N@H+](C)C2CCCCC2)cc1-c1ccccn1 ZINC000178857917 822416767 /nfs/dbraw/zinc/41/67/67/822416767.db2.gz XNUAURIRDMZZRB-UHFFFAOYSA-N 1 0 381.520 4.094 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)CCc1ccccc1Cl)c1cccc(OC)c1 ZINC000045827772 822417306 /nfs/dbraw/zinc/41/73/06/822417306.db2.gz LDOXCOINXKXBQB-NRFANRHFSA-N 1 0 388.939 4.481 20 0 GIADRO CCCN(C(=O)c1ccc(COc2ccc3ccccc3c2)o1)[C@H]1CC[NH2+]C1 ZINC000178887981 822419120 /nfs/dbraw/zinc/41/91/20/822419120.db2.gz TWPDHZDGUMGHJF-IBGZPJMESA-N 1 0 378.472 4.226 20 0 GIADRO Cc1cc(Cl)c(NC(=O)C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)cc1C ZINC000453943833 822419846 /nfs/dbraw/zinc/41/98/46/822419846.db2.gz JKMPKQBXIXSYMM-LJQANCHMSA-N 1 0 385.895 4.083 20 0 GIADRO CCCN(C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1)[C@H]1CC[NH2+]C1 ZINC000178900789 822420211 /nfs/dbraw/zinc/42/02/11/822420211.db2.gz IOLPSHTYRZLNCB-AWEZNQCLSA-N 1 0 394.302 4.395 20 0 GIADRO COc1ccc2c(c1)CCC[C@@H]2Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000183075210 822421185 /nfs/dbraw/zinc/42/11/85/822421185.db2.gz BKNQNCCNIQHCON-DEOSSOPVSA-N 1 0 380.532 4.389 20 0 GIADRO CC(C)c1ccc(NC(=O)C(=O)NC2CC[NH+](C3CCC3)CC2)c(C(C)C)c1 ZINC000454019564 822422827 /nfs/dbraw/zinc/42/28/27/822422827.db2.gz QUZWQVGXBONSKK-UHFFFAOYSA-N 1 0 385.552 4.005 20 0 GIADRO CC[C@H](NC(=O)C(=O)Nc1cccc2c1C[N@@H+]([C@@H](C)C(C)C)C2)C1CCCC1 ZINC000454030636 822423791 /nfs/dbraw/zinc/42/37/91/822423791.db2.gz LXCIFKGJXLUYMY-JXFKEZNVSA-N 1 0 385.552 4.070 20 0 GIADRO C[C@H](NCc1csc(-c2ccc3c(c2)OCO3)n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183104177 822424827 /nfs/dbraw/zinc/42/48/27/822424827.db2.gz MPGQOOMIHNDULT-DOTOQJQBSA-N 1 0 399.560 4.281 20 0 GIADRO C[C@H](CCNC(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F)[NH+]1CCCCC1 ZINC000183105761 822425227 /nfs/dbraw/zinc/42/52/27/822425227.db2.gz OOGSQUZFQQVRRR-OIISXLGYSA-N 1 0 384.442 4.069 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)Nc2cc(OC)c(OC)cc2F)CC1 ZINC000183107613 822425435 /nfs/dbraw/zinc/42/54/35/822425435.db2.gz OFINPXNERHGCJH-UHFFFAOYSA-N 1 0 395.519 4.209 20 0 GIADRO CC(C)c1ccc(-c2noc(CCC(=O)NCC[C@H](C)[NH+]3CCCCC3)n2)cc1 ZINC000183109458 822425648 /nfs/dbraw/zinc/42/56/48/822425648.db2.gz MTOVVKLCPKUPQW-SFHVURJKSA-N 1 0 398.551 4.173 20 0 GIADRO Cn1cc(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)c(C2CCCCC2)n1 ZINC000183115437 822426477 /nfs/dbraw/zinc/42/64/77/822426477.db2.gz NPEAWABDFOBHPJ-NRFANRHFSA-N 1 0 375.557 4.018 20 0 GIADRO C[NH2+]C[C@H]1CCN(C(=O)c2c3ccccc3nc3c2C[C@@H](C(C)(C)C)CC3)C1 ZINC000178989612 822426863 /nfs/dbraw/zinc/42/68/63/822426863.db2.gz AZKRRZMLTVZNTG-SJORKVTESA-N 1 0 379.548 4.067 20 0 GIADRO CC(C)(C)OC(=O)Nc1cccc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000178990449 822427133 /nfs/dbraw/zinc/42/71/33/822427133.db2.gz PPWWIOMFBRXFAL-XLIONFOSSA-N 1 0 399.535 4.123 20 0 GIADRO O=S1(=O)CCC[C@H]([NH2+]Cc2ccccc2-c2ccc(Cl)cc2Cl)C1 ZINC000183124907 822427715 /nfs/dbraw/zinc/42/77/15/822427715.db2.gz PRJKDUPDLVBLEB-HNNXBMFYSA-N 1 0 384.328 4.327 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCC1)N1CCc2c3ccccc3[nH]c2C1 ZINC000179002412 822428661 /nfs/dbraw/zinc/42/86/61/822428661.db2.gz FSCILWBKRIWKRE-UHFFFAOYSA-N 1 0 388.515 4.032 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)[NH2+]CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)cc1 ZINC000183136817 822429061 /nfs/dbraw/zinc/42/90/61/822429061.db2.gz QLQOYIGYYCRQAC-IRXDYDNUSA-N 1 0 394.494 4.190 20 0 GIADRO CCOc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(-n3ccnc3C)cc2)cc1 ZINC000183141287 822430113 /nfs/dbraw/zinc/43/01/13/822430113.db2.gz UWBZHZRWKKRQEC-IRXDYDNUSA-N 1 0 392.503 4.257 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)Nc2ccccc2N2CCCC2)c1 ZINC000045986716 822430824 /nfs/dbraw/zinc/43/08/24/822430824.db2.gz KVIIQRSDUCZVBN-UHFFFAOYSA-N 1 0 380.536 4.450 20 0 GIADRO C[NH2+]C[C@@H]1CCN(C(=O)c2cc3sc(Nc4ccccc4C)nc3s2)C1 ZINC000179026574 822431239 /nfs/dbraw/zinc/43/12/39/822431239.db2.gz JDKHRYYAYYQNMO-ZDUSSCGKSA-N 1 0 386.546 4.091 20 0 GIADRO Cc1cccc(C(=O)N[C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c1Cl ZINC000179029590 822431353 /nfs/dbraw/zinc/43/13/53/822431353.db2.gz VMTVBWBKQXPGFK-HNNXBMFYSA-N 1 0 389.902 4.030 20 0 GIADRO CCc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000183149817 822431629 /nfs/dbraw/zinc/43/16/29/822431629.db2.gz UXOMIJHVFNASHV-CQSZACIVSA-N 1 0 394.441 4.128 20 0 GIADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)Nc3ccc(OCc4ccccc4)cc3)C2)C1 ZINC000454128093 822431889 /nfs/dbraw/zinc/43/18/89/822431889.db2.gz AXGXOCOWYLRMPT-QHCPKHFHSA-N 1 0 379.504 4.215 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NCc1ccnc(Oc2ccccc2)c1 ZINC000045997311 822432379 /nfs/dbraw/zinc/43/23/79/822432379.db2.gz WIOJLMIQUUGNJV-IBGZPJMESA-N 1 0 396.535 4.328 20 0 GIADRO COc1cc(C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)ccc1SC ZINC000183155421 822432623 /nfs/dbraw/zinc/43/26/23/822432623.db2.gz QSTGDNAKKCPGTE-UHFFFAOYSA-N 1 0 385.455 4.470 20 0 GIADRO Cc1ccc(-c2nc(C[NH2+]C[C@@H]3CC(=O)N(Cc4ccccc4)C3)cs2)cc1 ZINC000179053035 822433583 /nfs/dbraw/zinc/43/35/83/822433583.db2.gz WESMJIGTEJMFHU-IBGZPJMESA-N 1 0 391.540 4.257 20 0 GIADRO O=C1C[C@@H](C[NH2+]Cc2csc(-c3ccc(F)cc3)n2)CN1Cc1ccccc1 ZINC000179052065 822433709 /nfs/dbraw/zinc/43/37/09/822433709.db2.gz FQXFOCKQMWNYJJ-KRWDZBQOSA-N 1 0 395.503 4.088 20 0 GIADRO COc1cc(Cl)c(C[NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1Cl ZINC000179054146 822433833 /nfs/dbraw/zinc/43/38/33/822433833.db2.gz KEBXDPWNOSPTJH-OAHLLOKOSA-N 1 0 393.314 4.140 20 0 GIADRO O=C1C[C@@H](C[NH2+]Cc2ccc(OC(F)F)c(Cl)c2)CN1Cc1ccccc1 ZINC000179053940 822433923 /nfs/dbraw/zinc/43/39/23/822433923.db2.gz CDWPDHJKJZRYFH-INIZCTEOSA-N 1 0 394.849 4.080 20 0 GIADRO O=C1C[C@H](C[NH2+]Cc2cnc(-c3cccs3)s2)CN1Cc1ccccc1 ZINC000179059509 822434347 /nfs/dbraw/zinc/43/43/47/822434347.db2.gz YXEJFMKHOQUECP-MRXNPFEDSA-N 1 0 383.542 4.010 20 0 GIADRO Cc1cc(C)cc(NC(=O)[C@@H](C)[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)c1 ZINC000183166010 822434373 /nfs/dbraw/zinc/43/43/73/822434373.db2.gz SBBZGHNERCBMIS-OAHLLOKOSA-N 1 0 394.441 4.183 20 0 GIADRO O=C(c1cc(-c2ccccn2)ccc1Cl)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000179061171 822434524 /nfs/dbraw/zinc/43/45/24/822434524.db2.gz OWFYQCJVGXNLSW-SFHVURJKSA-N 1 0 383.923 4.493 20 0 GIADRO O=c1ccccn1Cc1ccc(C[NH2+]Cc2ccc(F)c(C(F)(F)F)c2)cc1 ZINC000179071107 822435234 /nfs/dbraw/zinc/43/52/34/822435234.db2.gz CYBDWCIVYFUCBL-UHFFFAOYSA-N 1 0 390.380 4.344 20 0 GIADRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+]Cc3ccc(F)c(Cl)c3)cc2)C[C@@H](C)O1 ZINC000179071892 822435483 /nfs/dbraw/zinc/43/54/83/822435483.db2.gz DYOCGSVGJOGOOA-HUUCEWRRSA-N 1 0 390.886 4.018 20 0 GIADRO CCc1ccc(Cl)c(CC)c1NC(=O)CCC[N@@H+]1CCC[C@H]1C[C@@H](C)O ZINC000179072965 822435549 /nfs/dbraw/zinc/43/55/49/822435549.db2.gz RCPKPLYOJZCAMF-WBVHZDCISA-N 1 0 380.960 4.419 20 0 GIADRO C[C@H]([NH2+]Cc1cn2cc(Cl)ccc2n1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000179090402 822437002 /nfs/dbraw/zinc/43/70/02/822437002.db2.gz VOVPPWGSBXDNHD-AOMKIAJQSA-N 1 0 399.922 4.403 20 0 GIADRO C[C@@H](NC(=O)c1ccccc1NC(=O)OCc1ccccc1)C(C)(C)C[NH+](C)C ZINC000183185990 822437670 /nfs/dbraw/zinc/43/76/70/822437670.db2.gz OGWARPJDDIUGMA-QGZVFWFLSA-N 1 0 397.519 4.141 20 0 GIADRO CC(C)n1cc([C@H](C)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)cn1 ZINC000183188268 822438156 /nfs/dbraw/zinc/43/81/56/822438156.db2.gz UNIVMJGSAPSSDG-SFHVURJKSA-N 1 0 383.540 4.452 20 0 GIADRO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)NC1CC[NH+](C2CCC2)CC1 ZINC000454219649 822440211 /nfs/dbraw/zinc/44/02/11/822440211.db2.gz XGFKVLYKJSISMG-UHFFFAOYSA-N 1 0 375.822 4.497 20 0 GIADRO CCCOc1ccc(C(F)(F)F)cc1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000454222446 822440591 /nfs/dbraw/zinc/44/05/91/822440591.db2.gz NQXCCMDYUVUIJE-GOOCMWNKSA-N 1 0 385.430 4.241 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)N1CC[C@H]1c1ccccc1 ZINC000046105442 822441346 /nfs/dbraw/zinc/44/13/46/822441346.db2.gz LOYPNYRSWUETHO-NRFANRHFSA-N 1 0 381.520 4.064 20 0 GIADRO COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000179136024 822441888 /nfs/dbraw/zinc/44/18/88/822441888.db2.gz WLYJZYATBTYLCM-LBPRGKRZSA-N 1 0 382.291 4.385 20 0 GIADRO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000454235798 822441940 /nfs/dbraw/zinc/44/19/40/822441940.db2.gz HKHPRKXLKUWSLJ-CTNGQTDRSA-N 1 0 379.504 4.353 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)N1CCC[C@H]1c1ccc(F)cc1F)c1ccsc1 ZINC000454237858 822442382 /nfs/dbraw/zinc/44/23/82/822442382.db2.gz LODUMUIPFRLMSF-ZWKOTPCHSA-N 1 0 379.476 4.176 20 0 GIADRO Cc1noc(C)c1CN(C)C(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000046123893 822442770 /nfs/dbraw/zinc/44/27/70/822442770.db2.gz FHLGEXOWKAANTL-IAGOWNOFSA-N 1 0 398.551 4.111 20 0 GIADRO CC(C)n1ncc2cc(CN(CCC[NH3+])c3cccc(F)c3)c(Cl)nc21 ZINC000183218765 822443128 /nfs/dbraw/zinc/44/31/28/822443128.db2.gz KUGABMZEHFKKEY-UHFFFAOYSA-N 1 0 375.879 4.160 20 0 GIADRO NC(=O)N1CCC([NH2+][C@H](c2ccccc2)c2cc(Cl)ccc2Cl)CC1 ZINC000183223059 822443696 /nfs/dbraw/zinc/44/36/96/822443696.db2.gz PIQOWUFZKYWEPY-GOSISDBHSA-N 1 0 378.303 4.216 20 0 GIADRO C[C@H](NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1nc(C(C)(C)C)cs1 ZINC000179153681 822444865 /nfs/dbraw/zinc/44/48/65/822444865.db2.gz NDCKNQLLWMDPJF-QILLFSRXSA-N 1 0 386.565 4.246 20 0 GIADRO Cc1nc2ccccc2n1CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000046156320 822445514 /nfs/dbraw/zinc/44/55/14/822445514.db2.gz LBWICOPQCNHLGV-KRWDZBQOSA-N 1 0 376.504 4.215 20 0 GIADRO CSc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)cc1 ZINC000179159945 822445590 /nfs/dbraw/zinc/44/55/90/822445590.db2.gz KAJHWHXOBSBJKL-QUCCMNQESA-N 1 0 388.508 4.074 20 0 GIADRO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)N1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000454264616 822446068 /nfs/dbraw/zinc/44/60/68/822446068.db2.gz LRRUEKMQKDLFNV-LZLYRXPVSA-N 1 0 397.485 4.412 20 0 GIADRO CCc1nocc1CN(C)C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000454276449 822448571 /nfs/dbraw/zinc/44/85/71/822448571.db2.gz TZZOEMMUWOSAHP-ROUUACIJSA-N 1 0 398.551 4.057 20 0 GIADRO C[C@@H]([NH2+]C[C@H](c1cccs1)N1CCCC1)c1ncc(Br)s1 ZINC000179189083 822448821 /nfs/dbraw/zinc/44/88/21/822448821.db2.gz JYMSGAZJARQENX-VXGBXAGGSA-N 1 0 386.384 4.455 20 0 GIADRO COc1cccc([C@@H]2[C@H](NC(=O)[C@H](C)c3ccccc3F)CC[N@@H+]2C2CC2)c1 ZINC000183261458 822450011 /nfs/dbraw/zinc/45/00/11/822450011.db2.gz VMNOMBZXZOMQLD-UJUVCNOISA-N 1 0 382.479 4.032 20 0 GIADRO C[C@@H]([NH2+]CC1(c2ccccc2)CCOCC1)c1ncc(Br)s1 ZINC000179203505 822450300 /nfs/dbraw/zinc/45/03/00/822450300.db2.gz XOLZRQTUBADZFL-CYBMUJFWSA-N 1 0 381.339 4.305 20 0 GIADRO C[N@@H+]1CC[C@@H](NC(=O)NCc2csc(-c3ccccc3)n2)[C@@H]1c1ccccc1 ZINC000179202065 822450335 /nfs/dbraw/zinc/45/03/35/822450335.db2.gz NXWXKBGRZVMGMP-UXHICEINSA-N 1 0 392.528 4.055 20 0 GIADRO C[C@@H](CNC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)c1nccs1 ZINC000183263710 822450658 /nfs/dbraw/zinc/45/06/58/822450658.db2.gz IANDSKZARMQUBL-KRWDZBQOSA-N 1 0 386.565 4.122 20 0 GIADRO O=C(NCC[NH2+][C@H]1CCc2c1cccc2Br)c1ccccc1Cl ZINC000179206297 822451051 /nfs/dbraw/zinc/45/10/51/822451051.db2.gz JYDUEUNYTLVMQA-KRWDZBQOSA-N 1 0 393.712 4.109 20 0 GIADRO O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)N1CCC[C@H]1c1ccncc1 ZINC000046226216 822452374 /nfs/dbraw/zinc/45/23/74/822452374.db2.gz FQWDPROTMKDKNC-SFTDATJTSA-N 1 0 398.938 4.419 20 0 GIADRO CSCCCCCCNC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000183278331 822452682 /nfs/dbraw/zinc/45/26/82/822452682.db2.gz GWBBGCFLKNNMHX-FUHWJXTLSA-N 1 0 383.627 4.354 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)N2CC[C@@H](C(F)(F)F)C[C@H]2C)CC1 ZINC000454292479 822452733 /nfs/dbraw/zinc/45/27/33/822452733.db2.gz BXVBFRVAYVGRBD-HZPDHXFCSA-N 1 0 398.473 4.023 20 0 GIADRO Cn1ccnc1[C@H]([NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)C1CC1 ZINC000183278448 822452839 /nfs/dbraw/zinc/45/28/39/822452839.db2.gz BTATYBNHDNNIJM-LJQANCHMSA-N 1 0 393.362 4.432 20 0 GIADRO COc1cccc(N2CC[C@@H](C[NH2+][C@@H](C)c3ncc(Br)s3)C2)c1 ZINC000179222474 822453237 /nfs/dbraw/zinc/45/32/37/822453237.db2.gz DYRRHUZUXPMBQV-STQMWFEESA-N 1 0 396.354 4.091 20 0 GIADRO COc1ccc(COCCC[NH2+][C@H](C)c2ncc(Br)s2)cc1 ZINC000179222930 822453584 /nfs/dbraw/zinc/45/35/84/822453584.db2.gz IRZDRFLAXSOXJK-GFCCVEGCSA-N 1 0 385.327 4.172 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)N2CC3(CCC3)[C@@H]2c2ccco2)CC1 ZINC000454299080 822454117 /nfs/dbraw/zinc/45/41/17/822454117.db2.gz JTLSBQKOQDPUCE-NRFANRHFSA-N 1 0 394.519 4.181 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)N2CCC(Oc3ccccc3Cl)CC2)c1 ZINC000179229890 822454220 /nfs/dbraw/zinc/45/42/20/822454220.db2.gz GPTBZGDVQSVFJE-UHFFFAOYSA-N 1 0 387.911 4.477 20 0 GIADRO COc1ccc([C@H](C[NH2+][C@@H](c2ccco2)c2ccccc2)N2CCOCC2)cc1 ZINC000183293966 822454513 /nfs/dbraw/zinc/45/45/13/822454513.db2.gz HVCVZBMFIXIIHH-LADGPHEKSA-N 1 0 392.499 4.041 20 0 GIADRO COc1ccc([C@@H](C[NH2+][C@H](c2ccco2)c2ccccc2)N2CCOCC2)cc1 ZINC000183293904 822454524 /nfs/dbraw/zinc/45/45/24/822454524.db2.gz HVCVZBMFIXIIHH-VWNXMTODSA-N 1 0 392.499 4.041 20 0 GIADRO COC(=O)COc1ccccc1[C@@H](C)[NH2+]CCc1csc(-c2ccccc2)n1 ZINC000183310303 822456860 /nfs/dbraw/zinc/45/68/60/822456860.db2.gz YWAMVOQGFWQMSF-MRXNPFEDSA-N 1 0 396.512 4.255 20 0 GIADRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)NCc3cnc(C4CC4)o3)cc2)C1 ZINC000454329614 822458589 /nfs/dbraw/zinc/45/85/89/822458589.db2.gz SURLJCPVZQSDSP-IRXDYDNUSA-N 1 0 396.535 4.029 20 0 GIADRO COC(=O)COc1ccccc1[C@@H](C)[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000183321205 822458634 /nfs/dbraw/zinc/45/86/34/822458634.db2.gz RZWULOGCTUQHGL-ZIAGYGMSSA-N 1 0 379.403 4.252 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)NCc3cnc(C4CC4)o3)cc2)C1 ZINC000454329609 822458715 /nfs/dbraw/zinc/45/87/15/822458715.db2.gz SURLJCPVZQSDSP-CALCHBBNSA-N 1 0 396.535 4.029 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1)c1ncc(Br)s1 ZINC000183333661 822460196 /nfs/dbraw/zinc/46/01/96/822460196.db2.gz FLNBIFSQMRYYCT-ZYHUDNBSSA-N 1 0 386.746 4.489 20 0 GIADRO CC1CC[NH+](C2CCC(NC(=O)N3CCc4c([nH]c5ccccc54)C3)CC2)CC1 ZINC000179277309 822460274 /nfs/dbraw/zinc/46/02/74/822460274.db2.gz FIKAWJOVTQYIFI-UHFFFAOYSA-N 1 0 394.563 4.279 20 0 GIADRO CC(C)[NH+]1CCC(NC(=O)[C@@H]2CC=CC[C@@H]2c2nc3ccccc3s2)CC1 ZINC000046319928 822461121 /nfs/dbraw/zinc/46/11/21/822461121.db2.gz NJYMEEORZQGKSL-MSOLQXFVSA-N 1 0 383.561 4.335 20 0 GIADRO C[N@H+](Cc1ccccc1CNC(=O)NCCC[C@@H]1CCOC1)C1CCCCC1 ZINC000454359864 822461778 /nfs/dbraw/zinc/46/17/78/822461778.db2.gz ICWCDFTXMOYCKI-LJQANCHMSA-N 1 0 387.568 4.067 20 0 GIADRO CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+]CC1CCOCC1 ZINC000179299240 822462574 /nfs/dbraw/zinc/46/25/74/822462574.db2.gz ACPJJZNWHRGXKC-UHFFFAOYSA-N 1 0 392.341 4.274 20 0 GIADRO COc1cccc([C@@H](CNC(=O)c2ccc([C@@H](C)C(F)(F)F)cc2)[NH+](C)C)c1 ZINC000454364316 822462578 /nfs/dbraw/zinc/46/25/78/822462578.db2.gz CTYQYGCYBHNFQT-AUUYWEPGSA-N 1 0 394.437 4.394 20 0 GIADRO C[C@@H](CNC(=O)N1CCC[C@@H]1c1nc2ccccc2s1)[N@@H+]1CCCC[C@H]1C ZINC000046338723 822462751 /nfs/dbraw/zinc/46/27/51/822462751.db2.gz PEWWCPKNSUQMCF-SOLBZPMBSA-N 1 0 386.565 4.406 20 0 GIADRO C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000454365985 822462800 /nfs/dbraw/zinc/46/28/00/822462800.db2.gz DGUIZDCSOHXNIP-VQIMIIECSA-N 1 0 397.485 4.271 20 0 GIADRO C[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000454365984 822462836 /nfs/dbraw/zinc/46/28/36/822462836.db2.gz DGUIZDCSOHXNIP-QFBILLFUSA-N 1 0 397.485 4.271 20 0 GIADRO Cc1c([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cnn1C ZINC000183356091 822463130 /nfs/dbraw/zinc/46/31/30/822463130.db2.gz YPZZPJAWBOHWHG-NXEZZACHSA-N 1 0 388.821 4.079 20 0 GIADRO O[C@H](COCc1cccs1)C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000046343380 822463518 /nfs/dbraw/zinc/46/35/18/822463518.db2.gz XWSMNVNLNPSZST-HOTGVXAUSA-N 1 0 388.558 4.115 20 0 GIADRO CCOc1ccc([C@H](C)NC(=O)C[NH2+][C@H](C)[C@@H](C)c2ccccc2)cc1OC ZINC000183362925 822463766 /nfs/dbraw/zinc/46/37/66/822463766.db2.gz KOMVOYHWZLFMFM-KURKYZTESA-N 1 0 384.520 4.053 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1c(F)cc(F)cc1Br)[C@@H](C)c1ccccc1 ZINC000183368795 822464547 /nfs/dbraw/zinc/46/45/47/822464547.db2.gz AFYCLUYHIZBFQT-NEPJUHHUSA-N 1 0 397.263 4.448 20 0 GIADRO O=C(CCCC[C@@H]1CCSS1)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000046362555 822466185 /nfs/dbraw/zinc/46/61/85/822466185.db2.gz PJIPBWLLDGKSRD-LJQANCHMSA-N 1 0 378.607 4.265 20 0 GIADRO Cc1c(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)cccc1-c1ccccn1 ZINC000179326068 822466543 /nfs/dbraw/zinc/46/65/43/822466543.db2.gz AULSINJMTRMIPN-UHFFFAOYSA-N 1 0 399.538 4.494 20 0 GIADRO C[C@@H](CNC(=O)N(Cc1ccco1)Cc1cccs1)[N@@H+]1CCC[C@@H](C)C1 ZINC000046368133 822466606 /nfs/dbraw/zinc/46/66/06/822466606.db2.gz YJCRGFJEYQQWGT-SJORKVTESA-N 1 0 375.538 4.173 20 0 GIADRO COCc1c2ccccc2oc1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000046375217 822467186 /nfs/dbraw/zinc/46/71/86/822467186.db2.gz ASWSOVZTTCHCAD-UHFFFAOYSA-N 1 0 378.472 4.105 20 0 GIADRO Cc1cc(CSc2ccccc2C(=O)NCc2cccc(C[NH+](C)C)c2)on1 ZINC000046380128 822467541 /nfs/dbraw/zinc/46/75/41/822467541.db2.gz PQFCRMVFGCYCLV-UHFFFAOYSA-N 1 0 395.528 4.267 20 0 GIADRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000454394067 822468259 /nfs/dbraw/zinc/46/82/59/822468259.db2.gz RPLXZGQXACUPSO-IBGZPJMESA-N 1 0 398.507 4.164 20 0 GIADRO C[NH+](C)CCCC1CCN(C(=O)c2cccc(NC(=O)OC(C)(C)C)c2)CC1 ZINC000179345813 822468699 /nfs/dbraw/zinc/46/86/99/822468699.db2.gz NTJZLEAQLJQNNM-UHFFFAOYSA-N 1 0 389.540 4.228 20 0 GIADRO C[N@@H+]1CCCN(c2ccc(NC(=O)c3cc(F)c(F)cc3Cl)cc2)CC1 ZINC000046404215 822470707 /nfs/dbraw/zinc/47/07/07/822470707.db2.gz AWJBNKPWNCIDPV-UHFFFAOYSA-N 1 0 379.838 4.012 20 0 GIADRO COc1cccc(Cn2ccc3ccc(NC(=O)N(C)CCC[NH+](C)C)cc32)c1 ZINC000183423096 822472428 /nfs/dbraw/zinc/47/24/28/822472428.db2.gz QSKJGDCHLMSXFZ-UHFFFAOYSA-N 1 0 394.519 4.114 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)Nc1cccc2[nH]ccc21 ZINC000179372392 822472951 /nfs/dbraw/zinc/47/29/51/822472951.db2.gz FQYMOPYBOLUODY-UHFFFAOYSA-N 1 0 377.492 4.333 20 0 GIADRO Cc1cc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(N3CCCC3=O)cc2)c(C)s1 ZINC000179372932 822473021 /nfs/dbraw/zinc/47/30/21/822473021.db2.gz MNAFNJAASMSTPH-GJZGRUSLSA-N 1 0 385.533 4.170 20 0 GIADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)Nc3ccccc3N3CCc4ccccc43)C2)C1 ZINC000454424214 822473362 /nfs/dbraw/zinc/47/33/62/822473362.db2.gz HIJBDQIJZAJHNM-XMMPIXPASA-N 1 0 390.531 4.330 20 0 GIADRO C[C@H]([NH2+]Cc1cn(Cc2cccnc2)nn1)C(c1ccccc1)c1ccccc1 ZINC000183429407 822473791 /nfs/dbraw/zinc/47/37/91/822473791.db2.gz JFAYEGCKAQMLBT-IBGZPJMESA-N 1 0 383.499 4.032 20 0 GIADRO COc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)cc1Cl ZINC000179381055 822474005 /nfs/dbraw/zinc/47/40/05/822474005.db2.gz PLICPZYYQZSGER-UHFFFAOYSA-N 1 0 394.302 4.248 20 0 GIADRO COC(=O)COc1ccccc1[C@@H](C)[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000183441161 822475314 /nfs/dbraw/zinc/47/53/14/822475314.db2.gz PGFDODDGNRFCJC-DYVFJYSZSA-N 1 0 375.465 4.265 20 0 GIADRO CC(=O)N(c1nc(CN2CCC[N@@H+](C3CCCC3)CC2)cs1)c1ccccc1 ZINC000179393832 822476390 /nfs/dbraw/zinc/47/63/90/822476390.db2.gz DFXQQJVJTAEGBB-UHFFFAOYSA-N 1 0 398.576 4.278 20 0 GIADRO C[C@H](C[NH2+][C@@H](c1ccccc1)c1ccc(F)cn1)N1CCc2sccc2C1 ZINC000183448598 822476511 /nfs/dbraw/zinc/47/65/11/822476511.db2.gz GDDRMXNULRAIKQ-ZHRRBRCNSA-N 1 0 381.520 4.408 20 0 GIADRO CC[C@H]([NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1cc(C)ccc1OC ZINC000179407218 822478387 /nfs/dbraw/zinc/47/83/87/822478387.db2.gz QYUKVQVEMYCGBX-UNMCSNQZSA-N 1 0 382.504 4.362 20 0 GIADRO C[C@@H]([NH2+]CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1nc2c(s1)CCCC2 ZINC000179426489 822480814 /nfs/dbraw/zinc/48/08/14/822480814.db2.gz RXRKNUTZFSHOKS-HUUCEWRRSA-N 1 0 379.570 4.320 20 0 GIADRO Cc1cc(F)ccc1[C@H]1CCCN1C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000454474606 822480917 /nfs/dbraw/zinc/48/09/17/822480917.db2.gz BZZVAPYWDGVTSC-OAQYLSRUSA-N 1 0 385.483 4.444 20 0 GIADRO C[C@@H](NC(=O)Nc1ccc(N(C)C)c(Cl)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183475425 822481319 /nfs/dbraw/zinc/48/13/19/822481319.db2.gz ZDDJHTVALQQIRT-CABCVRRESA-N 1 0 378.948 4.181 20 0 GIADRO CCOCc1cc(C[NH+]2CCC(OCCc3ccccc3)CC2)ccc1OC ZINC000179433799 822481963 /nfs/dbraw/zinc/48/19/63/822481963.db2.gz QSSLXMJKBCLEJN-UHFFFAOYSA-N 1 0 383.532 4.455 20 0 GIADRO C[C@@](O)(C[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1)c1ccc(F)cc1F ZINC000183478677 822482158 /nfs/dbraw/zinc/48/21/58/822482158.db2.gz CANUQHDETKYNGJ-QGZVFWFLSA-N 1 0 393.327 4.042 20 0 GIADRO Cc1ccc([C@@H](C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)N2CCCC2)o1 ZINC000183480112 822482602 /nfs/dbraw/zinc/48/26/02/822482602.db2.gz ZWPHOEXIYNWOKG-RTBURBONSA-N 1 0 391.556 4.104 20 0 GIADRO Cc1cc2ncc([C@@H](C)[NH2+]Cc3ccc(C(=O)OC(C)(C)C)cc3)c(C)n2n1 ZINC000179437396 822482703 /nfs/dbraw/zinc/48/27/03/822482703.db2.gz RDSCKEALSWOLLG-OAHLLOKOSA-N 1 0 380.492 4.152 20 0 GIADRO Cc1ccc(NC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1OC(F)F ZINC000183483653 822483263 /nfs/dbraw/zinc/48/32/63/822483263.db2.gz QDGIWSRDOIHOMZ-GJZGRUSLSA-N 1 0 381.467 4.371 20 0 GIADRO CCC(=O)Nc1ccc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)cc1 ZINC000454490995 822483931 /nfs/dbraw/zinc/48/39/31/822483931.db2.gz MPPKFTRMTGRNCO-SFHVURJKSA-N 1 0 394.519 4.021 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2cnc(C3CCCC3)s2)C1)C(=O)OC(C)(C)C ZINC000179449465 822484741 /nfs/dbraw/zinc/48/47/41/822484741.db2.gz WPVJBCCSPLOUSE-HNNXBMFYSA-N 1 0 379.570 4.490 20 0 GIADRO CCOc1cc(F)ccc1NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000454497113 822485109 /nfs/dbraw/zinc/48/51/09/822485109.db2.gz GPFDDUVNDFMIRL-UHFFFAOYSA-N 1 0 391.409 4.105 20 0 GIADRO CCc1nnc(-c2ccc(NC(=O)N[C@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)cc2)o1 ZINC000183503757 822487218 /nfs/dbraw/zinc/48/72/18/822487218.db2.gz ISIDSHAXBJJHBB-NVXWUHKLSA-N 1 0 397.523 4.074 20 0 GIADRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C[C@@H](O)c2ccc3ccccc3c2)CC1 ZINC000183505329 822487405 /nfs/dbraw/zinc/48/74/05/822487405.db2.gz DRISONXJVDYEEC-LEWJYISDSA-N 1 0 384.520 4.252 20 0 GIADRO COC(=O)COc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000183509672 822487911 /nfs/dbraw/zinc/48/79/11/822487911.db2.gz WYNSAYIZWSSLBN-UONOGXRCSA-N 1 0 392.293 4.413 20 0 GIADRO CO[C@](C)(CNC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccccc1 ZINC000454512700 822488131 /nfs/dbraw/zinc/48/81/31/822488131.db2.gz HTDOIDKPAHNVOZ-YADARESESA-N 1 0 395.547 4.073 20 0 GIADRO C[C@H](C[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1)c1nc(-c2ccccc2)no1 ZINC000179478463 822488308 /nfs/dbraw/zinc/48/83/08/822488308.db2.gz FTVUPNDVDVJZOE-SJORKVTESA-N 1 0 390.487 4.318 20 0 GIADRO COc1cc([C@H](C)[NH2+]C[C@H](C)c2nc(-c3ccccc3)no2)cc(OC)c1OC ZINC000179479338 822488701 /nfs/dbraw/zinc/48/87/01/822488701.db2.gz MZIZWYIBAAJWNW-GJZGRUSLSA-N 1 0 397.475 4.217 20 0 GIADRO C[C@@H]([NH2+]C[C@H](C)c1nc(-c2ccccc2)no1)c1cccc(N2CCOC2=O)c1 ZINC000179479637 822488753 /nfs/dbraw/zinc/48/87/53/822488753.db2.gz SPECQGUJBRVXCN-JKSUJKDBSA-N 1 0 392.459 4.148 20 0 GIADRO C[C@H]([NH2+]C[C@@H]1C[C@H](O)CN1Cc1ccccc1)c1cccc(-c2ccncc2)c1 ZINC000179486540 822489748 /nfs/dbraw/zinc/48/97/48/822489748.db2.gz RFXHSGLKZXBDFX-LQGLAIQGSA-N 1 0 387.527 4.035 20 0 GIADRO C[C@H]([NH2+][C@H](CNC(=O)OC(C)(C)C)c1ccc2ccccc2c1)c1cnn(C)c1 ZINC000179495036 822490806 /nfs/dbraw/zinc/49/08/06/822490806.db2.gz PQHJDXWKZBJBPD-HRAATJIYSA-N 1 0 394.519 4.490 20 0 GIADRO C[C@H]([NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1cccc(Br)c1 ZINC000179495393 822490988 /nfs/dbraw/zinc/49/09/88/822490988.db2.gz FTMJRMCSBIZPEK-RDJZCZTQSA-N 1 0 387.321 4.148 20 0 GIADRO O=C1C[C@@H](C[NH2+][C@@H]2CCc3c2cccc3Br)CN1Cc1ccccc1 ZINC000179496845 822491154 /nfs/dbraw/zinc/49/11/54/822491154.db2.gz IVJZSAJXYXZAJU-OXJNMPFZSA-N 1 0 399.332 4.075 20 0 GIADRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccccc1)c1cccc(OC(F)F)c1 ZINC000046611344 822491942 /nfs/dbraw/zinc/49/19/42/822491942.db2.gz KAJBLBSCDJJMQB-INIZCTEOSA-N 1 0 391.462 4.122 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCc2c(F)cc(F)cc2F)CC1 ZINC000454529531 822492017 /nfs/dbraw/zinc/49/20/17/822492017.db2.gz WXJYLTICKHLOIP-CQSZACIVSA-N 1 0 391.437 4.129 20 0 GIADRO COc1cc([C@@H](C)[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)ccc1OC(F)F ZINC000179502695 822492283 /nfs/dbraw/zinc/49/22/83/822492283.db2.gz QDMGRMYDKCIZHY-BMIGLBTASA-N 1 0 389.801 4.473 20 0 GIADRO COc1cc([C@@H](C)[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)ccc1OC(F)F ZINC000179502731 822492509 /nfs/dbraw/zinc/49/25/09/822492509.db2.gz QDMGRMYDKCIZHY-MEBBXXQBSA-N 1 0 389.801 4.473 20 0 GIADRO C[NH+](C)CCCOc1ccc(CN[C@H](c2ccccc2)c2ccc(F)cn2)cc1 ZINC000183550430 822493598 /nfs/dbraw/zinc/49/35/98/822493598.db2.gz GYBBIYSJIZROJY-XMMPIXPASA-N 1 0 393.506 4.430 20 0 GIADRO CC[C@@H]([NH2+][C@@H](C)Cn1ncc2ccccc2c1=O)c1ccc(OC(F)F)cc1 ZINC000179516419 822494839 /nfs/dbraw/zinc/49/48/39/822494839.db2.gz JWGKNXRAUZTZNC-IFXJQAMLSA-N 1 0 387.430 4.127 20 0 GIADRO CCn1nc(C)c(NC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)c1C ZINC000179517022 822495156 /nfs/dbraw/zinc/49/51/56/822495156.db2.gz VGPOHUQQSNRXSV-UHFFFAOYSA-N 1 0 383.540 4.218 20 0 GIADRO CCc1cccc(CC)c1NC(=O)C[NH2+][C@H](C)c1cccc(-n2cccn2)c1 ZINC000183569154 822496015 /nfs/dbraw/zinc/49/60/15/822496015.db2.gz YNFLTFSFQGDGSQ-QGZVFWFLSA-N 1 0 376.504 4.286 20 0 GIADRO CCc1cccc(CC)c1NC(=O)C[NH2+][C@@H](C)c1cccc(-n2cccn2)c1 ZINC000183569135 822496033 /nfs/dbraw/zinc/49/60/33/822496033.db2.gz YNFLTFSFQGDGSQ-KRWDZBQOSA-N 1 0 376.504 4.286 20 0 GIADRO COc1cc([C@@H](C)[NH2+]Cc2cccnc2OCC(F)F)ccc1OC(F)F ZINC000179521900 822496392 /nfs/dbraw/zinc/49/63/92/822496392.db2.gz MLOVQLUVOSMUQS-LLVKDONJSA-N 1 0 388.361 4.186 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)c2cnc3ccc(F)cc3c2)CC[N@@H+]1Cc1ccccc1 ZINC000179521416 822496396 /nfs/dbraw/zinc/49/63/96/822496396.db2.gz RUGDVKHZOFAPDF-VGOFRKELSA-N 1 0 391.490 4.499 20 0 GIADRO CC1CC[NH+](Cc2ccccc2CNC(=O)Cc2cccc3cccnc32)CC1 ZINC000046640118 822496732 /nfs/dbraw/zinc/49/67/32/822496732.db2.gz IEQAFSULILNNDJ-UHFFFAOYSA-N 1 0 387.527 4.326 20 0 GIADRO CC(C)Oc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccccc2OC(F)F)cc1 ZINC000179526297 822497179 /nfs/dbraw/zinc/49/71/79/822497179.db2.gz KLFGGDLZSJISNQ-AWEZNQCLSA-N 1 0 378.419 4.365 20 0 GIADRO O=C(NCCCCC[NH+]1CCCC1)Nc1ccccc1OC[C@@H]1CCCCO1 ZINC000454566901 822497889 /nfs/dbraw/zinc/49/78/89/822497889.db2.gz AGPZXHSWCKGUCX-IBGZPJMESA-N 1 0 389.540 4.022 20 0 GIADRO Cc1cc(Sc2ccccc2)ccc1NC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000454569896 822498408 /nfs/dbraw/zinc/49/84/08/822498408.db2.gz DOMWHGPHABRNMD-SFHVURJKSA-N 1 0 399.560 4.115 20 0 GIADRO CC(C)c1noc2ncc(C(=O)Nc3cccc(CC[NH+]4CCCC4)c3)cc21 ZINC000179548432 822501353 /nfs/dbraw/zinc/50/13/53/822501353.db2.gz VESDEFSTZRYYSA-UHFFFAOYSA-N 1 0 378.476 4.237 20 0 GIADRO CCCOc1ccc([C@@H](C)NC(=O)Nc2cccc(C[NH+](C)C)c2)cc1OC ZINC000046674293 822502706 /nfs/dbraw/zinc/50/27/06/822502706.db2.gz IDAGLMWAXIMXJX-MRXNPFEDSA-N 1 0 385.508 4.428 20 0 GIADRO CSCC1CCC(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000454594252 822502913 /nfs/dbraw/zinc/50/29/13/822502913.db2.gz LWAOWBGVZHUSEE-WYNBGMTASA-N 1 0 389.609 4.261 20 0 GIADRO C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000454609611 822505575 /nfs/dbraw/zinc/50/55/75/822505575.db2.gz VNOGLFZROSVSPD-ZAWLATJESA-N 1 0 397.485 4.412 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000454614706 822506587 /nfs/dbraw/zinc/50/65/87/822506587.db2.gz ZDXLLEBKTJATPB-MRXNPFEDSA-N 1 0 397.947 4.140 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CCCCC2(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000454615411 822506700 /nfs/dbraw/zinc/50/67/00/822506700.db2.gz ZVDMBIREOPCXNY-QRQLOZEOSA-N 1 0 379.495 4.164 20 0 GIADRO C[C@H]([NH2+][C@H]1CCN(c2c(F)cccc2F)C1=O)c1cccc(OC(F)F)c1 ZINC000179582275 822506862 /nfs/dbraw/zinc/50/68/62/822506862.db2.gz NAOSAGCUOVAJSA-ZBEGNZNMSA-N 1 0 382.357 4.022 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Cc2cccc3cccnc32)C1 ZINC000046714773 822508782 /nfs/dbraw/zinc/50/87/82/822508782.db2.gz XGKYJUJWNOBRQX-LJQANCHMSA-N 1 0 387.527 4.326 20 0 GIADRO Brc1ccc([C@@H]([NH2+]CCCOC[C@H]2CCCO2)c2ccco2)cc1 ZINC000183681461 822510431 /nfs/dbraw/zinc/51/04/31/822510431.db2.gz RBJQRUDLHUDUHZ-IEBWSBKVSA-N 1 0 394.309 4.307 20 0 GIADRO CCCC[C@@H]([NH2+][C@@H](C)c1ccc(-n2ccnc2C)cc1)C(=O)Nc1cc(C)on1 ZINC000183680807 822510482 /nfs/dbraw/zinc/51/04/82/822510482.db2.gz OVJRHPPBIAWFHL-OXJNMPFZSA-N 1 0 395.507 4.325 20 0 GIADRO C[C@H](Oc1ccccc1Cl)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000046729316 822510635 /nfs/dbraw/zinc/51/06/35/822510635.db2.gz MWYXAHLJTBNZAV-HOCLYGCPSA-N 1 0 378.925 4.122 20 0 GIADRO CC(C)Oc1ccc(C(=O)NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000046736845 822511434 /nfs/dbraw/zinc/51/14/34/822511434.db2.gz PLSWFIVSSYCHHY-KDURUIRLSA-N 1 0 396.531 4.013 20 0 GIADRO CCC[C@@H]1C[C@@H](C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)CCO1 ZINC000183691090 822512357 /nfs/dbraw/zinc/51/23/57/822512357.db2.gz YCTQWJNSKDSNAQ-AZUAARDMSA-N 1 0 392.971 4.264 20 0 GIADRO COc1cc2c(cc1OC)C[N@H+](Cc1ccccc1N[C@H]1CCSC1)CC2 ZINC000179616952 822513544 /nfs/dbraw/zinc/51/35/44/822513544.db2.gz UPIONAMODAJVII-IBGZPJMESA-N 1 0 384.545 4.180 20 0 GIADRO CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+][C@@H](c2ccccc2Cl)C(C)C)cc1 ZINC000183703756 822514311 /nfs/dbraw/zinc/51/43/11/822514311.db2.gz BWJUQUKTDGBRJM-LAUBAEHRSA-N 1 0 390.911 4.025 20 0 GIADRO COC(=O)COc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000183706958 822514642 /nfs/dbraw/zinc/51/46/42/822514642.db2.gz PUGTXTYOZXFJTD-DLBZAZTESA-N 1 0 393.487 4.144 20 0 GIADRO Cc1nc(CN2CCC(C[NH2+]CC3CCC(C(F)(F)F)CC3)CC2)oc1C ZINC000183707124 822514658 /nfs/dbraw/zinc/51/46/58/822514658.db2.gz CUNQRGRTTHGYNQ-UHFFFAOYSA-N 1 0 387.490 4.462 20 0 GIADRO COC(=O)COc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1cccc(N2CCCC2)c1 ZINC000183710860 822515158 /nfs/dbraw/zinc/51/51/58/822515158.db2.gz DFZJYCUGHQGFMC-ZWKOTPCHSA-N 1 0 382.504 4.250 20 0 GIADRO O=C(Nc1cccc(-c2ccc3c(c2)CCO3)c1)NC1CC[NH+](CC2CC2)CC1 ZINC000179627993 822515620 /nfs/dbraw/zinc/51/56/20/822515620.db2.gz RLUDKFPAYAILBR-UHFFFAOYSA-N 1 0 391.515 4.284 20 0 GIADRO O=C(NC[C@H]1CCCO1)c1cccc(C[NH2+]C2c3ccccc3-c3ccccc32)c1 ZINC000183716397 822515935 /nfs/dbraw/zinc/51/59/35/822515935.db2.gz QDWGOTSMZZNRQE-HXUWFJFHSA-N 1 0 398.506 4.455 20 0 GIADRO Cc1cccc([C@@H](C)[NH2+]CCC(=O)Nc2ccc(N3CCCC3=O)cc2)c1C ZINC000183718261 822516140 /nfs/dbraw/zinc/51/61/40/822516140.db2.gz RVOKECZGWXUVNS-GOSISDBHSA-N 1 0 379.504 4.110 20 0 GIADRO CC(C)[NH2+]C1CCN(C(=O)Nc2cccc(-c3ccc4c(c3)CCO4)c2)CC1 ZINC000179630884 822516291 /nfs/dbraw/zinc/51/62/91/822516291.db2.gz HURQBJXQTPGMLR-UHFFFAOYSA-N 1 0 379.504 4.283 20 0 GIADRO CCOc1ccc(OCC(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000046780554 822516605 /nfs/dbraw/zinc/51/66/05/822516605.db2.gz OEVOKLDDHATZQP-IBGZPJMESA-N 1 0 396.531 4.012 20 0 GIADRO CCOCc1cccc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)c1 ZINC000454683792 822516698 /nfs/dbraw/zinc/51/66/98/822516698.db2.gz ZNJAKPIPKBEYNC-LJQANCHMSA-N 1 0 381.520 4.209 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)C(C)(C)c2ccc(Br)cc2)c1 ZINC000046785943 822517248 /nfs/dbraw/zinc/51/72/48/822517248.db2.gz UXJBWQJKYHVVHZ-UHFFFAOYSA-N 1 0 375.310 4.427 20 0 GIADRO CC(C)c1noc2nc(C3CC3)cc(C(=O)NCc3cccc(C[NH+](C)C)c3)c21 ZINC000046788084 822517417 /nfs/dbraw/zinc/51/74/17/822517417.db2.gz OTYVYCQQULPSKG-UHFFFAOYSA-N 1 0 392.503 4.215 20 0 GIADRO N#Cc1c(NC(=O)CC[NH2+]C2(c3ccccc3F)CC2)sc2c1CCCC2 ZINC000179643959 822518633 /nfs/dbraw/zinc/51/86/33/822518633.db2.gz DVZDYBXJCWUAHF-UHFFFAOYSA-N 1 0 383.492 4.245 20 0 GIADRO Brc1cncc(CNc2ccccc2C[NH+]2CCSCC2)c1 ZINC000183742140 822520364 /nfs/dbraw/zinc/52/03/64/822520364.db2.gz PGIFWURXDFQGAU-UHFFFAOYSA-N 1 0 378.339 4.005 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)c2cc(OC)c(OC)cc2C)cc1 ZINC000046816186 822520462 /nfs/dbraw/zinc/52/04/62/822520462.db2.gz DNRKSBDTJAFCIU-KRWDZBQOSA-N 1 0 384.520 4.345 20 0 GIADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)Nc1ccccc1CC(F)(F)F ZINC000179652960 822520504 /nfs/dbraw/zinc/52/05/04/822520504.db2.gz CTLJIULMZLCVOC-OAHLLOKOSA-N 1 0 379.426 4.433 20 0 GIADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2cnc(-c3ccccc3)s2)CC1 ZINC000046815402 822520528 /nfs/dbraw/zinc/52/05/28/822520528.db2.gz QBFZIEQZTMXGJQ-UHFFFAOYSA-N 1 0 391.540 4.467 20 0 GIADRO CC[C@@H](C)C(=O)Nc1cccc(C[NH2+][C@@H](C)c2ccccc2OCC(=O)OC)c1 ZINC000183744012 822520852 /nfs/dbraw/zinc/52/08/52/822520852.db2.gz RELIQPRBRKLIGC-SJORKVTESA-N 1 0 398.503 4.074 20 0 GIADRO CCCOc1c(Br)cc(C[N@H+](C)CCc2ccncc2)cc1OC ZINC000183757232 822523250 /nfs/dbraw/zinc/52/32/50/822523250.db2.gz LVGRYTJUVCOZPI-UHFFFAOYSA-N 1 0 393.325 4.316 20 0 GIADRO COc1cccc([C@@H]2[C@H](NC(=O)Nc3ccc(F)cc3C)CC[N@@H+]2C2CC2)c1 ZINC000183767763 822525421 /nfs/dbraw/zinc/52/54/21/822525421.db2.gz LINJMFAOGZWHBG-NHCUHLMSSA-N 1 0 383.467 4.242 20 0 GIADRO CCN(Cc1ccc(C(=O)N2CCCC2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000183767697 822525435 /nfs/dbraw/zinc/52/54/35/822525435.db2.gz KKTWDSJNODJEFK-DEOSSOPVSA-N 1 0 391.559 4.019 20 0 GIADRO COC(=O)c1ccc(C[NH2+][C@@H](C)c2cccc(OCc3ccccn3)c2)cc1F ZINC000179687431 822527600 /nfs/dbraw/zinc/52/76/00/822527600.db2.gz NAWJVQBABCYYDF-INIZCTEOSA-N 1 0 394.446 4.437 20 0 GIADRO CCCOc1c(C[NH+]2CCC(C(=O)N3CCCCC3)CC2)cccc1OCC ZINC000179687485 822527646 /nfs/dbraw/zinc/52/76/46/822527646.db2.gz SHVSFEYKVFLRPP-UHFFFAOYSA-N 1 0 388.552 4.099 20 0 GIADRO CC[C@H]1CCCCN1C(=O)C[NH2+][C@@H](C)c1cccc(OCc2ccccn2)c1 ZINC000179688039 822527849 /nfs/dbraw/zinc/52/78/49/822527849.db2.gz RSHNRNRLUSGBQI-RXVVDRJESA-N 1 0 381.520 4.102 20 0 GIADRO Cc1ccc(C(=O)N2CCC([N@H+](C)CCCO)CC2)c(Sc2ccccc2)c1 ZINC000183784653 822527869 /nfs/dbraw/zinc/52/78/69/822527869.db2.gz LMHJUAODVIVGCX-UHFFFAOYSA-N 1 0 398.572 4.065 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)c1cc(F)ccc1F)c1cccc(OCc2ccccn2)c1 ZINC000179694712 822529028 /nfs/dbraw/zinc/52/90/28/822529028.db2.gz PYLNFIYKWMTEMJ-OYHNWAKOSA-N 1 0 384.426 4.323 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1cccc(OCc2ccccn2)c1)C(=O)N(C)C1CCCCC1 ZINC000179694425 822529091 /nfs/dbraw/zinc/52/90/91/822529091.db2.gz KCSSQGLLKNPIFE-RBUKOAKNSA-N 1 0 395.547 4.491 20 0 GIADRO Cc1cc2c(cc1NC(=O)N(C)[C@@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)OCO2 ZINC000183799195 822529493 /nfs/dbraw/zinc/52/94/93/822529493.db2.gz WCPIFJMFOYCROI-IEBWSBKVSA-N 1 0 395.503 4.241 20 0 GIADRO COc1cc([C@H](C)[NH2+]CCOc2ccccc2)ccc1OCc1ccncc1 ZINC000179699235 822530153 /nfs/dbraw/zinc/53/01/53/822530153.db2.gz XGQQDXDLOKFILM-SFHVURJKSA-N 1 0 378.472 4.399 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)NCc2ccnc(Oc3ccccc3)c2)o1 ZINC000046916855 822530339 /nfs/dbraw/zinc/53/03/39/822530339.db2.gz YAJXLSGIADPDLO-UHFFFAOYSA-N 1 0 379.460 4.239 20 0 GIADRO Cc1c(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cnn1-c1ccccc1C ZINC000046917630 822530555 /nfs/dbraw/zinc/53/05/55/822530555.db2.gz GNGGNIRKGPNFIM-HSZRJFAPSA-N 1 0 388.515 4.056 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)N(Cc2ccco2)Cc2ccccc2)c1 ZINC000046926770 822531902 /nfs/dbraw/zinc/53/19/02/822531902.db2.gz OWZLTCNCAWVUET-UHFFFAOYSA-N 1 0 377.488 4.253 20 0 GIADRO COc1cc(OC)c(C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1OC ZINC000046934518 822532541 /nfs/dbraw/zinc/53/25/41/822532541.db2.gz PXKHPFNZPLWXAN-MRXNPFEDSA-N 1 0 398.503 4.197 20 0 GIADRO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000183825461 822532807 /nfs/dbraw/zinc/53/28/07/822532807.db2.gz LEXULFPHCJIAPR-ICSRJNTNSA-N 1 0 394.515 4.156 20 0 GIADRO CCC(CC)n1nc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1C ZINC000179713263 822533063 /nfs/dbraw/zinc/53/30/63/822533063.db2.gz DPOJJSXLTIABLZ-YLJYHZDGSA-N 1 0 382.552 4.336 20 0 GIADRO CC[C@@H]([NH2+]CC(=O)N1CCC[C@H](C(F)(F)F)C1)c1ccccc1OC(F)F ZINC000179722186 822535185 /nfs/dbraw/zinc/53/51/85/822535185.db2.gz JUTQUMOJSYAPJT-GXTWGEPZSA-N 1 0 394.384 4.130 20 0 GIADRO Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000046989764 822536087 /nfs/dbraw/zinc/53/60/87/822536087.db2.gz PGKJQVSMVAWMQG-INIZCTEOSA-N 1 0 393.597 4.426 20 0 GIADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1oc2ccccc2c1COc1ccccc1 ZINC000046993980 822536297 /nfs/dbraw/zinc/53/62/97/822536297.db2.gz GDCRZMBHLQKBFP-LEWJYISDSA-N 1 0 390.483 4.368 20 0 GIADRO O=C(C[NH2+][C@H](CCCO)c1ccccc1)Nc1ccccc1SC(F)F ZINC000179729708 822536837 /nfs/dbraw/zinc/53/68/37/822536837.db2.gz QAABSDHAFWBQRU-OAHLLOKOSA-N 1 0 380.460 4.043 20 0 GIADRO C[C@H](NC(=O)C[NH2+][C@@H](CCCO)c1ccccc1)c1cccc2ccccc21 ZINC000179730244 822537085 /nfs/dbraw/zinc/53/70/85/822537085.db2.gz HGXHTJIOFOSWES-MBSDFSHPSA-N 1 0 376.500 4.120 20 0 GIADRO CCC1CCC(N(C(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)C2CC2)CC1 ZINC000179735444 822538392 /nfs/dbraw/zinc/53/83/92/822538392.db2.gz CQROXGFFZHAADA-UHFFFAOYSA-N 1 0 398.591 4.464 20 0 GIADRO CN(C)C(=O)Sc1cccc(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)c1 ZINC000179737014 822538941 /nfs/dbraw/zinc/53/89/41/822538941.db2.gz PZLUWFRNDZNDKI-OAQYLSRUSA-N 1 0 398.528 4.472 20 0 GIADRO Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)NCCCC[N@@H+](C)C1CC1 ZINC000454812217 822539080 /nfs/dbraw/zinc/53/90/80/822539080.db2.gz TVYADJQAQCORDV-UHFFFAOYSA-N 1 0 397.567 4.474 20 0 GIADRO Cc1cc2oc(=O)cc(C[N@@H+]3CCC[C@@H](C4(C)OCCO4)C3)c2cc1C(C)C ZINC000183879697 822539656 /nfs/dbraw/zinc/53/96/56/822539656.db2.gz NWBWLAYEWYTXMQ-GOSISDBHSA-N 1 0 385.504 4.200 20 0 GIADRO NC(=O)C1CC[NH+](Cc2cccc(N[C@@H](c3ccco3)c3ccccc3)c2)CC1 ZINC000183886356 822540740 /nfs/dbraw/zinc/54/07/40/822540740.db2.gz FGQYFRJFPWWDOL-HSZRJFAPSA-N 1 0 389.499 4.178 20 0 GIADRO CCN(C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[C@H](C)c1cccc(OC)c1 ZINC000179749997 822542391 /nfs/dbraw/zinc/54/23/91/822542391.db2.gz ZZBKSEJHYWDWIY-GOSISDBHSA-N 1 0 396.535 4.099 20 0 GIADRO O=C(C1CC[NH+](Cc2cnc(C3CCCC3)s2)CC1)N1CCCCCC1 ZINC000179752827 822543125 /nfs/dbraw/zinc/54/31/25/822543125.db2.gz LNKNWNQBBWHAGU-UHFFFAOYSA-N 1 0 375.582 4.415 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C2(c3ccc(F)cc3F)CCC2)cc1 ZINC000179753117 822543183 /nfs/dbraw/zinc/54/31/83/822543183.db2.gz ARSWCLLAFMPION-AWEZNQCLSA-N 1 0 394.487 4.456 20 0 GIADRO CC[C@H]1c2ccsc2CCN1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179753486 822543278 /nfs/dbraw/zinc/54/32/78/822543278.db2.gz OXUIUJHLIFDQOS-IBGZPJMESA-N 1 0 384.549 4.079 20 0 GIADRO CCc1cccc(CC)c1NC(=O)C[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179757017 822544436 /nfs/dbraw/zinc/54/44/36/822544436.db2.gz HIUOCDLZPPFJOU-QHCPKHFHSA-N 1 0 394.515 4.262 20 0 GIADRO CCN(Cc1ccccc1)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000179760448 822545160 /nfs/dbraw/zinc/54/51/60/822545160.db2.gz NZYSVLDFJDLINL-ZWKOTPCHSA-N 1 0 393.531 4.123 20 0 GIADRO Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000179760870 822545390 /nfs/dbraw/zinc/54/53/90/822545390.db2.gz ORVQFROJTINDNA-UWJYYQICSA-N 1 0 396.535 4.382 20 0 GIADRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)Nc1ccc(COCc2ccccc2)cc1 ZINC000454850660 822545465 /nfs/dbraw/zinc/54/54/65/822545465.db2.gz BEOFFJSLXYXDFL-JOCHJYFZSA-N 1 0 381.520 4.351 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N(C)[C@@H](C)c1ccc(F)cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000179761389 822545540 /nfs/dbraw/zinc/54/55/40/822545540.db2.gz JZVHXGNVLPGUHK-CVEARBPZSA-N 1 0 397.494 4.044 20 0 GIADRO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000179761401 822545587 /nfs/dbraw/zinc/54/55/87/822545587.db2.gz JZVHXGNVLPGUHK-JKSUJKDBSA-N 1 0 397.494 4.044 20 0 GIADRO C[C@H](Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)c1ccc2c(c1)CCCC2 ZINC000179765084 822547187 /nfs/dbraw/zinc/54/71/87/822547187.db2.gz VLVFKBDNWRGFBZ-SFHVURJKSA-N 1 0 391.559 4.436 20 0 GIADRO Cc1ccnc(Oc2cc(NC(=O)NCCCC[N@@H+](C)C3CC3)ccc2C)c1 ZINC000454868034 822548652 /nfs/dbraw/zinc/54/86/52/822548652.db2.gz JUTFKLVLCCYSHM-UHFFFAOYSA-N 1 0 382.508 4.487 20 0 GIADRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)c3ccc4c(c3)NC(=O)CCS4)c2C1 ZINC000179769219 822548952 /nfs/dbraw/zinc/54/89/52/822548952.db2.gz QCYTUQRSTKMLOJ-UHFFFAOYSA-N 1 0 395.528 4.345 20 0 GIADRO CC[C@H]1CN(C(=O)Nc2ccc(C)c(NC(C)=O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000183932781 822549584 /nfs/dbraw/zinc/54/95/84/822549584.db2.gz LQHUOJSYZODEFZ-NRFANRHFSA-N 1 0 394.519 4.082 20 0 GIADRO CCC(=O)Nc1ccc(NC(=O)N2CC[N@H+](Cc3ccccc3)[C@H](CC)C2)cc1 ZINC000183933701 822549906 /nfs/dbraw/zinc/54/99/06/822549906.db2.gz LUUXHFNCZBLNOI-OAQYLSRUSA-N 1 0 394.519 4.163 20 0 GIADRO CC[C@H](Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)c1ccc(F)cc1F ZINC000179774751 822550265 /nfs/dbraw/zinc/55/02/65/822550265.db2.gz JRRJTZCWSQFQTP-NRFANRHFSA-N 1 0 387.474 4.225 20 0 GIADRO CC[NH+]1CCN(c2ccccc2N[C@@H](C)c2ncc(Br)s2)CC1 ZINC000179776792 822550591 /nfs/dbraw/zinc/55/05/91/822550591.db2.gz VPKMGDUFKZVSDH-ZDUSSCGKSA-N 1 0 395.370 4.221 20 0 GIADRO CN1CC[NH+](CCC(C)(C)NC(=O)Nc2ccccc2Oc2ccccc2)CC1 ZINC000183941147 822551003 /nfs/dbraw/zinc/55/10/03/822551003.db2.gz YDUKIWGMJFSWLN-UHFFFAOYSA-N 1 0 396.535 4.017 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000047187665 822552226 /nfs/dbraw/zinc/55/22/26/822552226.db2.gz YEVFJLUECSTPQP-LJQANCHMSA-N 1 0 393.531 4.323 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000047187718 822552472 /nfs/dbraw/zinc/55/24/72/822552472.db2.gz DADSPQWKEYEICG-KRWDZBQOSA-N 1 0 389.540 4.418 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccc(COc2ccc(F)cc2)o1 ZINC000047187680 822552533 /nfs/dbraw/zinc/55/25/33/822552533.db2.gz BGHWLWIOHGEROY-KRWDZBQOSA-N 1 0 388.483 4.382 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)NCc1ccc(C(F)F)cc1 ZINC000183951144 822552752 /nfs/dbraw/zinc/55/27/52/822552752.db2.gz IEKCGPDAHBJUQJ-UHFFFAOYSA-N 1 0 375.463 4.465 20 0 GIADRO C[C@H](NC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[C@H]1CCC[C@@H](C)C1 ZINC000454898103 822552970 /nfs/dbraw/zinc/55/29/70/822552970.db2.gz IZRUVQOBBHXWFO-BVBWDCQLSA-N 1 0 389.506 4.306 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)Nc1ccc(OCc2ccccn2)c(F)c1 ZINC000454900202 822553412 /nfs/dbraw/zinc/55/34/12/822553412.db2.gz BJNXUQOBFAQEMF-UHFFFAOYSA-N 1 0 388.487 4.042 20 0 GIADRO CCCC(=O)Nc1ccc(Cl)c(NC(=O)NCC[C@H](C)[NH+]2CCCCC2)c1 ZINC000183956025 822553638 /nfs/dbraw/zinc/55/36/38/822553638.db2.gz RRFWGJFLPLKKQX-HNNXBMFYSA-N 1 0 394.947 4.465 20 0 GIADRO CC1CC[NH+](CCCCNC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)CC1 ZINC000047198931 822553746 /nfs/dbraw/zinc/55/37/46/822553746.db2.gz WXRQIIWFVSDZRO-UHFFFAOYSA-N 1 0 389.540 4.276 20 0 GIADRO COc1ccccc1C1(C[NH2+][C@H](C)CC(=O)Nc2cccnc2Cl)CCC1 ZINC000183957511 822553860 /nfs/dbraw/zinc/55/38/60/822553860.db2.gz MPAYIGGZZOTBEY-OAHLLOKOSA-N 1 0 387.911 4.172 20 0 GIADRO CC(C)(C)C[C@@H]1CCN(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000454907848 822554717 /nfs/dbraw/zinc/55/47/17/822554717.db2.gz QXLCHCVWZVLGJT-OOHWJJMZSA-N 1 0 389.506 4.259 20 0 GIADRO CC1CC[NH+](CCCCNC(=O)CSc2nc3ccccc3s2)CC1 ZINC000047214145 822554933 /nfs/dbraw/zinc/55/49/33/822554933.db2.gz WMMAKFCYRNCJNM-UHFFFAOYSA-N 1 0 377.579 4.017 20 0 GIADRO Cn1cc(C[NH+]2CCC(OCCc3ccccc3)CC2)c(-c2cccs2)n1 ZINC000179801628 822555799 /nfs/dbraw/zinc/55/57/99/822555799.db2.gz ZOBXOUDVILZESO-UHFFFAOYSA-N 1 0 381.545 4.372 20 0 GIADRO CC(C)[NH+]1CCC(NC(=O)Nc2ccc(-n3ncc4ccccc43)cc2)CC1 ZINC000183979589 822557345 /nfs/dbraw/zinc/55/73/45/822557345.db2.gz ZSSFPISOKNEPFR-UHFFFAOYSA-N 1 0 377.492 4.020 20 0 GIADRO COc1ccc(C[N@H+](C)C[C@H](C)c2nccs2)c(Br)c1OC ZINC000183986035 822558212 /nfs/dbraw/zinc/55/82/12/822558212.db2.gz FKGHVXYKZIENGL-NSHDSACASA-N 1 0 385.327 4.158 20 0 GIADRO C[NH+]1CCN(c2ccc(N[C@H](c3ccccc3)c3ccc(F)cn3)cc2)CC1 ZINC000183989937 822559078 /nfs/dbraw/zinc/55/90/78/822559078.db2.gz RVRDGXCJNUTGTM-HSZRJFAPSA-N 1 0 376.479 4.174 20 0 GIADRO C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000183992091 822559630 /nfs/dbraw/zinc/55/96/30/822559630.db2.gz LJILWSGOIHQRJU-JPYJTQIMSA-N 1 0 392.547 4.059 20 0 GIADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)Nc3ccc(Cl)c(Br)c3)C2)C1 ZINC000454940523 822560457 /nfs/dbraw/zinc/56/04/57/822560457.db2.gz IILLNDJHVINYPE-MRXNPFEDSA-N 1 0 386.721 4.052 20 0 GIADRO CNC(=O)C1CC[NH+](Cc2cc(C)c(OCc3ccccc3C)c(C)c2)CC1 ZINC000179826519 822560904 /nfs/dbraw/zinc/56/09/04/822560904.db2.gz WWSTUMMVIZTXPT-UHFFFAOYSA-N 1 0 380.532 4.149 20 0 GIADRO COc1cc(Br)c(C[N@H+](C)C[C@H](C)c2nccs2)cc1OC ZINC000184002632 822561853 /nfs/dbraw/zinc/56/18/53/822561853.db2.gz QOSIFFSQQGWFAB-NSHDSACASA-N 1 0 385.327 4.158 20 0 GIADRO O=C(NCc1ccccc1OC(F)(F)F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000047304100 822563646 /nfs/dbraw/zinc/56/36/46/822563646.db2.gz XLRAYYDIXTVRSO-UHFFFAOYSA-N 1 0 392.421 4.114 20 0 GIADRO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000047305205 822563884 /nfs/dbraw/zinc/56/38/84/822563884.db2.gz HSMJPKRJOGSEJV-SFHVURJKSA-N 1 0 391.515 4.013 20 0 GIADRO Cc1ccc(N[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1C(=O)NC(C)C ZINC000179842001 822564571 /nfs/dbraw/zinc/56/45/71/822564571.db2.gz GFHTZSCZXHQPLQ-SFHVURJKSA-N 1 0 383.536 4.247 20 0 GIADRO O=C(Nc1ccc(Cl)c(Cl)c1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000047323538 822565833 /nfs/dbraw/zinc/56/58/33/822565833.db2.gz NTEUNTKWVICRDD-UHFFFAOYSA-N 1 0 379.291 4.175 20 0 GIADRO Cc1nc([C@@H](N[C@H]2CCC[N@H+](Cc3ccccc3)C2)c2ccc(Cl)cc2)no1 ZINC000179895570 822572975 /nfs/dbraw/zinc/57/29/75/822572975.db2.gz JVSNBJZTSMJVJU-SFTDATJTSA-N 1 0 396.922 4.375 20 0 GIADRO O=C(NCc1ccc(C(F)F)cc1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000184062817 822573109 /nfs/dbraw/zinc/57/31/09/822573109.db2.gz OXPZQCVEZQCCRV-UHFFFAOYSA-N 1 0 393.503 4.397 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)NCc2ccc(C(F)F)cc2)[NH+]2CCCC2)o1 ZINC000184075582 822574696 /nfs/dbraw/zinc/57/46/96/822574696.db2.gz CASRBUKQAVRKOQ-QGZVFWFLSA-N 1 0 377.435 4.162 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1ncccc1C(F)(F)F ZINC000179910386 822575193 /nfs/dbraw/zinc/57/51/93/822575193.db2.gz SFUILENSGQXIAX-HNNXBMFYSA-N 1 0 391.437 4.405 20 0 GIADRO Cc1nn(C)cc1[C@@H](C)[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000184083723 822575397 /nfs/dbraw/zinc/57/53/97/822575397.db2.gz LSKKJXJDOQNKHL-CYBMUJFWSA-N 1 0 381.351 4.351 20 0 GIADRO C[C@H]([NH2+]CCCc1nc(-c2ccc(F)cc2)no1)c1nc2c(s1)CCCC2 ZINC000184090667 822576544 /nfs/dbraw/zinc/57/65/44/822576544.db2.gz YHLXMBKMBJMEQR-ZDUSSCGKSA-N 1 0 386.496 4.494 20 0 GIADRO COc1ccc(OC)c([C@H](C)[NH2+]CCCc2nc(-c3ccc(F)cc3)no2)c1 ZINC000184093256 822576708 /nfs/dbraw/zinc/57/67/08/822576708.db2.gz JDHLXHZSWQGPSW-AWEZNQCLSA-N 1 0 385.439 4.176 20 0 GIADRO Cc1nc([C@H](C)[N@@H+]2CCOCC3(CCOCC3)C2)oc1-c1ccc(Cl)cc1 ZINC000184096890 822577330 /nfs/dbraw/zinc/57/73/30/822577330.db2.gz LDXOHWVLDDKPFY-INIZCTEOSA-N 1 0 390.911 4.493 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)c2cc(-c3csc(C)n3)c[nH]2)CC1 ZINC000184105023 822578726 /nfs/dbraw/zinc/57/87/26/822578726.db2.gz PKKDDYOTJCCMBB-UHFFFAOYSA-N 1 0 388.581 4.421 20 0 GIADRO COc1ccc(OCc2ccccn2)c(C[NH2+]C[C@@H](C)c2nc(C)cs2)c1 ZINC000184110579 822579614 /nfs/dbraw/zinc/57/96/14/822579614.db2.gz XFNBORZRGOUQEO-OAHLLOKOSA-N 1 0 383.517 4.327 20 0 GIADRO Cc1csc([C@@H](C)C[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)n1 ZINC000184113088 822580097 /nfs/dbraw/zinc/58/00/97/822580097.db2.gz STQPTLFNQUEEHC-NSHDSACASA-N 1 0 391.338 4.497 20 0 GIADRO CCO[C@@H]1CCN(C(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)C[C@H]1C ZINC000455048926 822580077 /nfs/dbraw/zinc/58/00/77/822580077.db2.gz BAFIOTPXLNYJTP-DENIHFKCSA-N 1 0 387.568 4.240 20 0 GIADRO CCO[C@H]1CCN(C(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)C[C@@H]1C ZINC000455048937 822580303 /nfs/dbraw/zinc/58/03/03/822580303.db2.gz BAFIOTPXLNYJTP-UGKGYDQZSA-N 1 0 387.568 4.240 20 0 GIADRO CC1CC[NH+](CCc2cccc(NC(=O)N3C[C@]4(CCCO4)[C@H]3C3CC3)c2)CC1 ZINC000455051799 822580895 /nfs/dbraw/zinc/58/08/95/822580895.db2.gz FLIOSZZKOGOAQN-ISKFKSNPSA-N 1 0 397.563 4.136 20 0 GIADRO CC1CC[NH+](CCc2cccc(NC(=O)N3C[C@@]4(CCCO4)[C@H]3C3CC3)c2)CC1 ZINC000455051803 822580908 /nfs/dbraw/zinc/58/09/08/822580908.db2.gz FLIOSZZKOGOAQN-VWNXMTODSA-N 1 0 397.563 4.136 20 0 GIADRO COc1ccc(C[NH2+]C[C@@H](C)c2nc(C)cs2)cc1OCc1cccnc1 ZINC000184117163 822580937 /nfs/dbraw/zinc/58/09/37/822580937.db2.gz CZAQQVFJZZQTLY-OAHLLOKOSA-N 1 0 383.517 4.327 20 0 GIADRO Cc1c(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)cccc1N(C)C ZINC000455063935 822583053 /nfs/dbraw/zinc/58/30/53/822583053.db2.gz AAIACHFUMWVENM-GOSISDBHSA-N 1 0 380.536 4.047 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCCOc3cc(F)ccc32)cc1 ZINC000179961835 822586277 /nfs/dbraw/zinc/58/62/77/822586277.db2.gz NWFBFQBOENZOLY-IFXJQAMLSA-N 1 0 392.496 4.152 20 0 GIADRO COc1cccc(C[NH2+]C2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)c1O ZINC000184151697 822586363 /nfs/dbraw/zinc/58/63/63/822586363.db2.gz XXPJERHWLFKIJD-UHFFFAOYSA-N 1 0 395.330 4.462 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cccc(N3CCCC3=O)c2)cc1 ZINC000047522366 822586835 /nfs/dbraw/zinc/58/68/35/822586835.db2.gz YKIFLJLVOHRADB-SFHVURJKSA-N 1 0 391.515 4.440 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1cncc(F)c1 ZINC000179972888 822588295 /nfs/dbraw/zinc/58/82/95/822588295.db2.gz UWURAJDKYDBFJK-FZKQIMNGSA-N 1 0 395.400 4.081 20 0 GIADRO CC(C)Oc1ccccc1NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000047541919 822588632 /nfs/dbraw/zinc/58/86/32/822588632.db2.gz GPRDBXCIJSLTLO-UHFFFAOYSA-N 1 0 385.483 4.399 20 0 GIADRO O=C(NCC[NH2+][C@@H](c1cccc(Cl)c1)C1CCCCC1)C1N=CC=CC1=O ZINC000184167658 822589473 /nfs/dbraw/zinc/58/94/73/822589473.db2.gz SDWZYAWQLVHBOI-DCDYOYONSA-N 1 0 387.911 4.077 20 0 GIADRO O=S(=O)(/C=C/c1cccc(Cl)c1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000184178912 822591674 /nfs/dbraw/zinc/59/16/74/822591674.db2.gz XLJFWRKNOOGXCB-SDNWHVSQSA-N 1 0 382.957 4.027 20 0 GIADRO COc1ccc([C@@H](C)Nc2cc(C[NH+](C)C)ccc2C)cc1Cn1cccn1 ZINC000179990559 822591825 /nfs/dbraw/zinc/59/18/25/822591825.db2.gz ROMBFDITRPZLLH-GOSISDBHSA-N 1 0 378.520 4.483 20 0 GIADRO O=C(CCc1ccc2[nH]ccc2c1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000179992354 822592279 /nfs/dbraw/zinc/59/22/79/822592279.db2.gz JXRMMQBTSWJHIH-UHFFFAOYSA-N 1 0 375.516 4.129 20 0 GIADRO C[C@@H](NC(=O)NCCCCC[NH+]1CCCC1)c1ccc(-c2ccncc2)cc1 ZINC000455123073 822592359 /nfs/dbraw/zinc/59/23/59/822592359.db2.gz YBUAYGLIARBTIW-LJQANCHMSA-N 1 0 380.536 4.375 20 0 GIADRO CC(C)c1nccn1Cc1cccc(NC(=O)N2CC[NH+](C3CCCC3)CC2)c1 ZINC000047571339 822592584 /nfs/dbraw/zinc/59/25/84/822592584.db2.gz WSBARCWQMWFVGP-UHFFFAOYSA-N 1 0 395.551 4.147 20 0 GIADRO C[C@@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000179995442 822592609 /nfs/dbraw/zinc/59/26/09/822592609.db2.gz CFALQPOCBDKELZ-VQIMIIECSA-N 1 0 387.451 4.191 20 0 GIADRO CCN(C(=O)c1cc(Cl)cc(Cl)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000184187278 822592791 /nfs/dbraw/zinc/59/27/91/822592791.db2.gz OVHRPWGCUNUINP-INIZCTEOSA-N 1 0 378.303 4.125 20 0 GIADRO Cc1nc(-c2ccccc2)sc1NC(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000455126199 822592934 /nfs/dbraw/zinc/59/29/34/822592934.db2.gz MYXAWWJVMNZVMK-OAHLLOKOSA-N 1 0 384.549 4.457 20 0 GIADRO COc1c(C)cc(C(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1C ZINC000179999406 822593198 /nfs/dbraw/zinc/59/31/98/822593198.db2.gz ZLWRRJGUYBCIJP-UHFFFAOYSA-N 1 0 381.520 4.086 20 0 GIADRO CCOC(=O)N1CCC([NH2+][C@H](c2ccc(Br)cc2)C2CC2)CC1 ZINC000179999779 822593321 /nfs/dbraw/zinc/59/33/21/822593321.db2.gz FSDFYLOIPTVWGS-KRWDZBQOSA-N 1 0 381.314 4.111 20 0 GIADRO Brc1ccc([C@@H]([NH2+]Cc2ccc(Cn3cncn3)cc2)C2CC2)cc1 ZINC000180000494 822593373 /nfs/dbraw/zinc/59/33/73/822593373.db2.gz FMRFKEBIBZZHDC-FQEVSTJZSA-N 1 0 397.320 4.330 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2c(F)cccc2F)cc1OC ZINC000047609063 822596511 /nfs/dbraw/zinc/59/65/11/822596511.db2.gz PVUAWVOGQOHJML-QWHCGFSZSA-N 1 0 378.419 4.050 20 0 GIADRO COc1ccc(C(=O)N2CCC([NH2+]Cc3ccc(C(C)C)cc3)CC2)c(OC)c1 ZINC000047609809 822596772 /nfs/dbraw/zinc/59/67/72/822596772.db2.gz TVLFCFUDHPDRNP-UHFFFAOYSA-N 1 0 396.531 4.222 20 0 GIADRO CNC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@H](c2ccc(Cl)cc2)[C@H]2C[C@@H]2C)c1 ZINC000180016850 822597296 /nfs/dbraw/zinc/59/72/96/822597296.db2.gz PFDNBECUPNANIZ-WZBLMQSHSA-N 1 0 399.922 4.014 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1cccc(Cl)c1-n1cccn1)c1cccs1 ZINC000047628220 822597897 /nfs/dbraw/zinc/59/78/97/822597897.db2.gz FVAMTWWFMHZLAF-OAHLLOKOSA-N 1 0 389.912 4.012 20 0 GIADRO COc1ccc([C@H]([NH2+]Cc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)C(C)C)cc1 ZINC000180020567 822598086 /nfs/dbraw/zinc/59/80/86/822598086.db2.gz CUUPVUWJJFXIFF-IUKKYPGJSA-N 1 0 383.536 4.191 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)Nc1cccc(-n2cc(C(F)(F)F)cn2)c1 ZINC000455161268 822599768 /nfs/dbraw/zinc/59/97/68/822599768.db2.gz VFYQOWIXQXRAOG-UHFFFAOYSA-N 1 0 397.445 4.133 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000180028385 822600348 /nfs/dbraw/zinc/60/03/48/822600348.db2.gz YXUXOPFZPYLQMW-OALUTQOASA-N 1 0 391.874 4.192 20 0 GIADRO Brc1cccc(C[N@H+](Cc2c[nH]nc2-c2cccnc2)C2CC2)c1 ZINC000180032147 822601273 /nfs/dbraw/zinc/60/12/73/822601273.db2.gz RIWWWLKEXRCIIQ-UHFFFAOYSA-N 1 0 383.293 4.399 20 0 GIADRO COC(=O)Nc1cccc(NC(=O)NCc2ccccc2C[NH+]2CCCCC2)c1 ZINC000047711692 822601955 /nfs/dbraw/zinc/60/19/55/822601955.db2.gz QUVHHNRWHVYVJE-UHFFFAOYSA-N 1 0 396.491 4.173 20 0 GIADRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1ncccc1C(F)(F)F ZINC000180036114 822602023 /nfs/dbraw/zinc/60/20/23/822602023.db2.gz CNIJXDSYJLARAF-UHFFFAOYSA-N 1 0 395.450 4.210 20 0 GIADRO CC(=O)NCCC[NH2+][C@H](c1ccc(Cl)cc1)c1ccc(OC(F)F)cc1 ZINC000180036858 822602035 /nfs/dbraw/zinc/60/20/35/822602035.db2.gz GUHDCNPGZQXZAV-GOSISDBHSA-N 1 0 382.838 4.147 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)Nc1ccc(OC(F)F)c(F)c1 ZINC000047713905 822602361 /nfs/dbraw/zinc/60/23/61/822602361.db2.gz QSTIZDAEYAMLSC-HNNXBMFYSA-N 1 0 397.397 4.369 20 0 GIADRO Cc1cc(C)c(NC(=O)NC2CC[NH+](C3CCC3)CC2)cc1Br ZINC000455186284 822603679 /nfs/dbraw/zinc/60/36/79/822603679.db2.gz BFXBGULNPBPCAR-UHFFFAOYSA-N 1 0 380.330 4.204 20 0 GIADRO CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3ccnc3)cc2)cc1 ZINC000047723545 822603916 /nfs/dbraw/zinc/60/39/16/822603916.db2.gz FTVCXSUKZDOZAV-QGZVFWFLSA-N 1 0 377.492 4.253 20 0 GIADRO COc1ccc([C@@H]([NH2+]Cc2cccc(NC(=O)[C@@H]3CCCO3)c2)C(C)C)cc1 ZINC000180048977 822604199 /nfs/dbraw/zinc/60/41/99/822604199.db2.gz ZPFDSAVXVDNWNU-VXKWHMMOSA-N 1 0 382.504 4.300 20 0 GIADRO COc1ccc([C@H]([NH2+]Cc2cccc(NC(=O)[C@H]3CCCO3)c2)C(C)C)cc1 ZINC000180049017 822604245 /nfs/dbraw/zinc/60/42/45/822604245.db2.gz ZPFDSAVXVDNWNU-FGZHOGPDSA-N 1 0 382.504 4.300 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)Nc1ncc(-c2ccccc2)s1 ZINC000180051571 822604843 /nfs/dbraw/zinc/60/48/43/822604843.db2.gz KGXYOJLAUZESLC-UHFFFAOYSA-N 1 0 393.516 4.243 20 0 GIADRO Cc1cc([C@H](C)[NH2+]C2CCN(C(=O)c3ccco3)CC2)ccc1Br ZINC000180060296 822606229 /nfs/dbraw/zinc/60/62/29/822606229.db2.gz IUYVACLIVWROPJ-AWEZNQCLSA-N 1 0 391.309 4.306 20 0 GIADRO Cc1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)nc1 ZINC000184283638 822608526 /nfs/dbraw/zinc/60/85/26/822608526.db2.gz IWCKEUMNCXHGFM-UHFFFAOYSA-N 1 0 392.425 4.149 20 0 GIADRO COc1ccc(OCc2nc(C[NH2+]C[C@@H](C)c3nccs3)cs2)cc1 ZINC000184289513 822609416 /nfs/dbraw/zinc/60/94/16/822609416.db2.gz BYAKTIRXTCJBCS-CYBMUJFWSA-N 1 0 375.519 4.081 20 0 GIADRO COc1ccc(OCCC[NH+]2CCC(C(=O)c3cc(F)ccc3F)CC2)cc1 ZINC000047797651 822609709 /nfs/dbraw/zinc/60/97/09/822609709.db2.gz BGTBQVVGBBSBPR-UHFFFAOYSA-N 1 0 389.442 4.337 20 0 GIADRO O=C(c1cc(F)ccc1F)C1CC[NH+](CCCOc2ccc(F)cc2)CC1 ZINC000047797662 822609720 /nfs/dbraw/zinc/60/97/20/822609720.db2.gz JFCRPGHNDJPUNM-UHFFFAOYSA-N 1 0 377.406 4.468 20 0 GIADRO Nc1ccc(F)c(NC(=O)CC[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CC2)c1 ZINC000180073712 822609980 /nfs/dbraw/zinc/60/99/80/822609980.db2.gz LBTJABBHPIXHJG-LJQANCHMSA-N 1 0 395.400 4.496 20 0 GIADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)N[C@@H](c3ccc(Cl)cc3)C(F)(F)F)C2)C1 ZINC000455219780 822611084 /nfs/dbraw/zinc/61/10/84/822611084.db2.gz ZHZJQCYQTFDJAG-RDJZCZTQSA-N 1 0 389.849 4.071 20 0 GIADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)N[C@H](c3ccc(Cl)cc3)C(F)(F)F)C2)C1 ZINC000455219782 822611123 /nfs/dbraw/zinc/61/11/23/822611123.db2.gz ZHZJQCYQTFDJAG-WBVHZDCISA-N 1 0 389.849 4.071 20 0 GIADRO COc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(OCC(C)C)c(OC)c2)cc1 ZINC000180088441 822612851 /nfs/dbraw/zinc/61/28/51/822612851.db2.gz RJRNUVLNXANFLK-MRXNPFEDSA-N 1 0 386.492 4.028 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(F)c(Br)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000047827479 822612923 /nfs/dbraw/zinc/61/29/23/822612923.db2.gz DKBXKNIDDADTGN-NSHDSACASA-N 1 0 377.257 4.324 20 0 GIADRO CCOc1cc(C[NH2+][C@H](C)c2ccc3c(c2)CCC(=O)N3)ccc1OC(F)F ZINC000047827554 822612938 /nfs/dbraw/zinc/61/29/38/822612938.db2.gz UKVQVMXMNBIQGE-CYBMUJFWSA-N 1 0 390.430 4.422 20 0 GIADRO CCOc1c(Cl)cc(C[NH2+][C@@H](C)c2ccc3c(c2)CCC(=O)N3)cc1OC ZINC000047827485 822612960 /nfs/dbraw/zinc/61/29/60/822612960.db2.gz WOFZFEVLEJJUTH-ZDUSSCGKSA-N 1 0 388.895 4.483 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(OCc2ccncc2)cc1)c1ccc2c(c1)CCC(=O)N2 ZINC000047827009 822613055 /nfs/dbraw/zinc/61/30/55/822613055.db2.gz YHXOIPIPRMRMJC-QGZVFWFLSA-N 1 0 387.483 4.396 20 0 GIADRO C[N@@H+]1CC[C@]2(CCN(C(=O)Nc3cccnc3-c3ccc(Cl)s3)C2)C1 ZINC000455230565 822613379 /nfs/dbraw/zinc/61/33/79/822613379.db2.gz QJGHUGFJBOALOW-SFHVURJKSA-N 1 0 376.913 4.023 20 0 GIADRO C[C@@H](NC(=O)NC[C@@H](c1cccs1)[NH+](C)C)c1ccc(C(F)(F)F)cc1 ZINC000047833995 822613407 /nfs/dbraw/zinc/61/34/07/822613407.db2.gz QFMBHKJUANQLOI-DOMZBBRYSA-N 1 0 385.455 4.430 20 0 GIADRO COc1ccc2oc([C@@H](C)[NH2+]C[C@@H](O)COCc3ccccc3F)c(C)c2c1 ZINC000184319870 822614263 /nfs/dbraw/zinc/61/42/63/822614263.db2.gz YXIMFCSHNMTYEZ-NVXWUHKLSA-N 1 0 387.451 4.117 20 0 GIADRO C[N@@H+]1CC[C@H](NC(=O)c2occc2COc2ccccc2)[C@@H]1c1ccccc1 ZINC000180095251 822614247 /nfs/dbraw/zinc/61/42/47/822614247.db2.gz JAVIKPBHBIFRRT-SFTDATJTSA-N 1 0 376.456 4.034 20 0 GIADRO CCOC(=O)C1CCC([NH2+]Cc2cccc(NC(=O)c3cccc(F)c3)c2)CC1 ZINC000180094770 822614277 /nfs/dbraw/zinc/61/42/77/822614277.db2.gz DDAJXMFGZNGTDO-UHFFFAOYSA-N 1 0 398.478 4.290 20 0 GIADRO COC(=O)c1ccc(C[NH2+]Cc2cccc(NC(=O)c3cccc(F)c3)c2)cc1 ZINC000180095132 822614317 /nfs/dbraw/zinc/61/43/17/822614317.db2.gz KBSLFZDQWFKFCE-UHFFFAOYSA-N 1 0 392.430 4.154 20 0 GIADRO COC(=O)c1ccc(C[NH2+][C@H](C)c2ccc(OCC(C)C)c(OC)c2)s1 ZINC000180096039 822614539 /nfs/dbraw/zinc/61/45/39/822614539.db2.gz UFMGGYMKQSZPCJ-CQSZACIVSA-N 1 0 377.506 4.429 20 0 GIADRO Cc1cccc(-c2nc(CC(=O)N[C@@H]3CC[N@@H+](C)[C@@H]3c3ccccc3)cs2)c1 ZINC000180099579 822615341 /nfs/dbraw/zinc/61/53/41/822615341.db2.gz OSKBEDODJTUXAU-IFMALSPDSA-N 1 0 391.540 4.223 20 0 GIADRO COc1ccc2oc([C@H](C)[NH2+]CC(=O)N[C@H]3CCOc4ccccc43)c(C)c2c1 ZINC000184326529 822615678 /nfs/dbraw/zinc/61/56/78/822615678.db2.gz KVSNCRQMHRTHLI-KXBFYZLASA-N 1 0 394.471 4.040 20 0 GIADRO CCc1ccc(C(C)(C)[NH2+]CC(=O)N[C@@H](c2nccs2)c2ccccc2)cc1 ZINC000180105525 822616052 /nfs/dbraw/zinc/61/60/52/822616052.db2.gz LFBCHDYMOPRLRS-OAQYLSRUSA-N 1 0 393.556 4.436 20 0 GIADRO C[C@@H](NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000047883286 822616269 /nfs/dbraw/zinc/61/62/69/822616269.db2.gz VVJWRMFRYMABDB-RHSMWYFYSA-N 1 0 395.425 4.496 20 0 GIADRO C[C@@H]([NH2+]CC1(Sc2ccccc2)CCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000180106738 822616303 /nfs/dbraw/zinc/61/63/03/822616303.db2.gz KQDQRXXLKJLABW-MRXNPFEDSA-N 1 0 390.574 4.090 20 0 GIADRO C[C@H](NC(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccccn1 ZINC000047887842 822616558 /nfs/dbraw/zinc/61/65/58/822616558.db2.gz VIBGDRSMUUJKEE-QRVBRYPASA-N 1 0 380.536 4.120 20 0 GIADRO Cc1cccc([C@H](C[NH2+][C@@H](c2ccccc2)c2ccccn2)N2CCOCC2)c1 ZINC000180106965 822616583 /nfs/dbraw/zinc/61/65/83/822616583.db2.gz NNLLWKKAYCCIEP-DQEYMECFSA-N 1 0 387.527 4.143 20 0 GIADRO COCCc1ccccc1NC(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000455245538 822616664 /nfs/dbraw/zinc/61/66/64/822616664.db2.gz DATFZEHMLLQGOD-UHFFFAOYSA-N 1 0 375.557 4.240 20 0 GIADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)Nc3cccc(Cl)c3Br)C2)C1 ZINC000455247898 822617133 /nfs/dbraw/zinc/61/71/33/822617133.db2.gz GKGITJULYGIWQE-INIZCTEOSA-N 1 0 386.721 4.052 20 0 GIADRO COc1ccc2oc([C@H](C)[NH2+]CC(=O)Nc3cc(C)nn3C(C)(C)C)c(C)c2c1 ZINC000184341250 822618554 /nfs/dbraw/zinc/61/85/54/822618554.db2.gz ZPANFPUHNOANIG-HNNXBMFYSA-N 1 0 398.507 4.299 20 0 GIADRO O=C(Nc1cccc(OC(F)F)c1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000047908022 822618710 /nfs/dbraw/zinc/61/87/10/822618710.db2.gz CRWPVAUMFBNIBJ-UHFFFAOYSA-N 1 0 375.419 4.028 20 0 GIADRO CC[C@H](C)n1ncc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)c1C ZINC000455262476 822620615 /nfs/dbraw/zinc/62/06/15/822620615.db2.gz MQTLXTOICZLAAX-ROUUACIJSA-N 1 0 383.540 4.148 20 0 GIADRO Cc1oc2ccccc2c1C(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000184352563 822620687 /nfs/dbraw/zinc/62/06/87/822620687.db2.gz ZVTGMECJPLKDGB-LJQANCHMSA-N 1 0 390.483 4.459 20 0 GIADRO CC[C@@H](NCc1c(Cl)cccc1N1CC[NH+](C)CC1)c1nc(C)cs1 ZINC000180126480 822620929 /nfs/dbraw/zinc/62/09/29/822620929.db2.gz UKSIVJNZQKIKMA-QGZVFWFLSA-N 1 0 378.973 4.098 20 0 GIADRO C[C@H]([NH2+][C@H](Cc1ccccc1)c1ccccc1F)c1ccc(S(N)(=O)=O)cc1 ZINC000180129406 822621752 /nfs/dbraw/zinc/62/17/52/822621752.db2.gz OZXRVMNEGUJLBU-KSFYIVLOSA-N 1 0 398.503 4.108 20 0 GIADRO CCOC(=O)Nc1ccc(NC(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000047947076 822621935 /nfs/dbraw/zinc/62/19/35/822621935.db2.gz DWQARGZQJLKGOX-UHFFFAOYSA-N 1 0 396.491 4.173 20 0 GIADRO CC[C@H](NC(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1OC ZINC000047967891 822622969 /nfs/dbraw/zinc/62/29/69/822622969.db2.gz WHMBGDILURTNLB-NRFANRHFSA-N 1 0 381.520 4.110 20 0 GIADRO CCOCc1ccccc1CNC(=O)C[NH2+][C@H](C)c1cc2ccccc2s1 ZINC000184368416 822623311 /nfs/dbraw/zinc/62/33/11/822623311.db2.gz ONDGGQNXOQMJFA-MRXNPFEDSA-N 1 0 382.529 4.405 20 0 GIADRO CC[C@@H]1Oc2cc([C@H](C)[NH2+][C@@H](C)c3nc4ccccc4n3C)ccc2NC1=O ZINC000180139465 822624600 /nfs/dbraw/zinc/62/46/00/822624600.db2.gz CLZHEUXBNNBBDV-NJSLBKSFSA-N 1 0 378.476 4.095 20 0 GIADRO C[N@@H+]1CC[C@H](NC(=O)c2ccc(Br)cc2Cl)[C@@H]1c1ccccc1 ZINC000180142572 822625094 /nfs/dbraw/zinc/62/50/94/822625094.db2.gz TURIZQLIBFPQMO-IRXDYDNUSA-N 1 0 393.712 4.278 20 0 GIADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1nc(-c2ccccc2Cl)ns1 ZINC000184380062 822625140 /nfs/dbraw/zinc/62/51/40/822625140.db2.gz CSEGUTGUAXWROX-ZDUSSCGKSA-N 1 0 393.944 4.197 20 0 GIADRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)c(Oc2ccccc2)c1 ZINC000180148923 822626891 /nfs/dbraw/zinc/62/68/91/822626891.db2.gz YJFLZPMJYBNEGY-KRWDZBQOSA-N 1 0 396.512 4.286 20 0 GIADRO COc1ccccc1N1CC[C@@H]([NH2+][C@H](C)c2nc3ccc(Cl)cc3n2C)C1 ZINC000180151614 822627624 /nfs/dbraw/zinc/62/76/24/822627624.db2.gz LQTBTVIZKBWXKT-GDBMZVCRSA-N 1 0 384.911 4.165 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)c2ncccc2C(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000180154581 822628369 /nfs/dbraw/zinc/62/83/69/822628369.db2.gz UQJXHLYSCHZFLM-NVXWUHKLSA-N 1 0 391.437 4.226 20 0 GIADRO Cc1ccc(-c2cnc(CCC(=O)N[C@@H]3CC[N@@H+](C)[C@@H]3c3ccccc3)o2)cc1 ZINC000180154799 822628422 /nfs/dbraw/zinc/62/84/22/822628422.db2.gz BAZHVTLYSDVZQL-HYBUGGRVSA-N 1 0 389.499 4.144 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCc1ccc(OC(F)F)cc1 ZINC000048063991 822628655 /nfs/dbraw/zinc/62/86/55/822628655.db2.gz URTQDHTXBCVUIS-UHFFFAOYSA-N 1 0 391.462 4.128 20 0 GIADRO Cc1c(NC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)cccc1N(C)C ZINC000180157004 822628963 /nfs/dbraw/zinc/62/89/63/822628963.db2.gz RMKLNAUDJVNWPJ-SFHVURJKSA-N 1 0 380.536 4.408 20 0 GIADRO C[C@H](NC(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1)c1cccnc1 ZINC000048067530 822628972 /nfs/dbraw/zinc/62/89/72/822628972.db2.gz HPTPVMKLUKLUKL-FHWLQOOXSA-N 1 0 380.536 4.120 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)c1 ZINC000180157655 822629009 /nfs/dbraw/zinc/62/90/09/822629009.db2.gz MTYXUAUKDKPABJ-GOSISDBHSA-N 1 0 392.547 4.350 20 0 GIADRO COc1cc(NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)ccc1Cl ZINC000455299122 822630616 /nfs/dbraw/zinc/63/06/16/822630616.db2.gz IPPMYGDGNKXYMK-UHFFFAOYSA-N 1 0 393.837 4.229 20 0 GIADRO Cc1csc(-c2cccc(C(=O)N[C@@H]3CC[N@@H+](C)[C@@H]3c3ccccc3)c2)n1 ZINC000180166332 822630878 /nfs/dbraw/zinc/63/08/78/822630878.db2.gz CMXLPBPGKWXWJA-WOJBJXKFSA-N 1 0 377.513 4.294 20 0 GIADRO C[C@@H]([NH2+]CCc1nc(-c2ccc(Cl)cc2)no1)c1nc2ccccc2n1C ZINC000180171064 822631741 /nfs/dbraw/zinc/63/17/41/822631741.db2.gz CWBNHBMOIIWCOG-CYBMUJFWSA-N 1 0 381.867 4.170 20 0 GIADRO Cc1ccc([C@@H](C[NH2+][C@H](c2ccccc2)c2ccccn2)N2CCOCC2)cc1 ZINC000180174221 822632643 /nfs/dbraw/zinc/63/26/43/822632643.db2.gz XNHDPYLGKBRPLS-JWQCQUIFSA-N 1 0 387.527 4.143 20 0 GIADRO C[C@H]([NH2+]CCCc1nc(-c2ccncc2)cs1)c1nc2ccccc2n1C ZINC000180176401 822632833 /nfs/dbraw/zinc/63/28/33/822632833.db2.gz QZJNVPMGOYZUKR-HNNXBMFYSA-N 1 0 377.517 4.375 20 0 GIADRO COC(=O)COc1cccc(C[NH2+][C@H](c2ccccc2OC)C2CCCC2)c1 ZINC000180178158 822633174 /nfs/dbraw/zinc/63/31/74/822633174.db2.gz YXKXIRBTHFLLCR-QHCPKHFHSA-N 1 0 383.488 4.268 20 0 GIADRO COc1ccccc1[C@H](NC1CC[NH+](CCC(F)(F)F)CC1)c1ccco1 ZINC000180180027 822633605 /nfs/dbraw/zinc/63/36/05/822633605.db2.gz XKGYLWYPIIIJRR-IBGZPJMESA-N 1 0 382.426 4.384 20 0 GIADRO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1ccc(CN2CCCC2=O)cc1)CC3 ZINC000180183295 822634361 /nfs/dbraw/zinc/63/43/61/822634361.db2.gz MDAAPIHUPFMORV-FQEVSTJZSA-N 1 0 387.527 4.246 20 0 GIADRO CN(Cc1cc(F)c(F)c(F)c1)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000180184970 822634839 /nfs/dbraw/zinc/63/48/39/822634839.db2.gz PTVLGOZQCQTBQU-MRXNPFEDSA-N 1 0 397.466 4.144 20 0 GIADRO O=C(Nc1nc(Cc2ccccc2)cs1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000184438126 822634995 /nfs/dbraw/zinc/63/49/95/822634995.db2.gz CKIJJIBAPXLISU-PXNSSMCTSA-N 1 0 396.560 4.215 20 0 GIADRO CO[C@@H](C[NH2+][C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)c1ccccc1 ZINC000180194166 822636779 /nfs/dbraw/zinc/63/67/79/822636779.db2.gz XKSZEEFELZABHG-GOTSBHOMSA-N 1 0 395.524 4.157 20 0 GIADRO C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000048136838 822637142 /nfs/dbraw/zinc/63/71/42/822637142.db2.gz AQJQKTIBYUMKRB-HRAATJIYSA-N 1 0 377.488 4.129 20 0 GIADRO Cc1c(-c2cc(C[NH+]3CCC(Oc4ccc(C)c(C)c4)CC3)on2)cnn1C ZINC000184451857 822637649 /nfs/dbraw/zinc/63/76/49/822637649.db2.gz ZXVDJWREKDJBPU-UHFFFAOYSA-N 1 0 380.492 4.044 20 0 GIADRO Cn1cc(C[NH2+][C@@H](c2ccc(Br)cc2)C2CC2)c(C(F)(F)F)n1 ZINC000180198807 822637889 /nfs/dbraw/zinc/63/78/89/822637889.db2.gz WMVZLRFNODWBKK-CQSZACIVSA-N 1 0 388.231 4.442 20 0 GIADRO CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1 ZINC000180207881 822639532 /nfs/dbraw/zinc/63/95/32/822639532.db2.gz ZDENFNMJPLLZNS-WOJBJXKFSA-N 1 0 399.922 4.110 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(Cc2ccc(Br)c3cccnc23)C1 ZINC000180215276 822640934 /nfs/dbraw/zinc/64/09/34/822640934.db2.gz DBAUYFPRRXMWDX-OAHLLOKOSA-N 1 0 376.342 4.161 20 0 GIADRO Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000180219358 822641616 /nfs/dbraw/zinc/64/16/16/822641616.db2.gz SDJXZOXQGKTKCA-IBGZPJMESA-N 1 0 395.547 4.314 20 0 GIADRO O=C(CSCc1cccc(Cl)c1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180221630 822642002 /nfs/dbraw/zinc/64/20/02/822642002.db2.gz KQQNZJKIDHRWJC-UHFFFAOYSA-N 1 0 389.952 4.001 20 0 GIADRO O=C(CC1(CSc2ccccc2)CC1)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000184472996 822642045 /nfs/dbraw/zinc/64/20/45/822642045.db2.gz NKESKMSNWVTTRT-UHFFFAOYSA-N 1 0 395.572 4.125 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)c2ccc(OC)c(OC(F)F)c2)c1 ZINC000048177728 822642394 /nfs/dbraw/zinc/64/23/94/822642394.db2.gz AISXDRGCNQWZQY-UHFFFAOYSA-N 1 0 378.419 4.391 20 0 GIADRO O=C(CCCCC(=O)c1ccccc1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000048185645 822643244 /nfs/dbraw/zinc/64/32/44/822643244.db2.gz IVORAHHXVUXEPG-LJQANCHMSA-N 1 0 384.545 4.445 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1ncoc1-c1ccccc1Cl ZINC000180227215 822643568 /nfs/dbraw/zinc/64/35/68/822643568.db2.gz CXCFBWCZFLHLFB-UHFFFAOYSA-N 1 0 396.878 4.036 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000180229226 822643958 /nfs/dbraw/zinc/64/39/58/822643958.db2.gz ZCVZHEYMHUOGSF-QQGDVQBRSA-N 1 0 397.899 4.063 20 0 GIADRO C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000180229246 822643966 /nfs/dbraw/zinc/64/39/66/822643966.db2.gz ZCVZHEYMHUOGSF-YXKWSERDSA-N 1 0 397.899 4.063 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)NCCc1cccc2cccnc21 ZINC000048216207 822646113 /nfs/dbraw/zinc/64/61/13/822646113.db2.gz CBXVRWPAZQXKEN-UHFFFAOYSA-N 1 0 390.531 4.119 20 0 GIADRO CCc1cc(N2CCC([NH2+]CC(c3ccccc3)c3ccccc3)CC2)ncn1 ZINC000180242311 822646659 /nfs/dbraw/zinc/64/66/59/822646659.db2.gz DOMRLPPQGXJYOM-UHFFFAOYSA-N 1 0 386.543 4.430 20 0 GIADRO Cc1cc2ncn(C[C@@H](O)C[NH2+][C@H](C)c3nc(C(C)(C)C)cs3)c2cc1C ZINC000184505157 822646982 /nfs/dbraw/zinc/64/69/82/822646982.db2.gz KGWUGFJDDVHEOJ-CVEARBPZSA-N 1 0 386.565 4.119 20 0 GIADRO COc1ccc(CC[C@@H](C)[NH2+][C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1 ZINC000184511450 822648195 /nfs/dbraw/zinc/64/81/95/822648195.db2.gz XQTQBCBBXXJKDS-WAIKUNEKSA-N 1 0 384.495 4.239 20 0 GIADRO CC[C@H](C)NC(=O)CC[NH2+][C@@H](c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000180251734 822648581 /nfs/dbraw/zinc/64/85/81/822648581.db2.gz FKDFJAWJQWDSQC-YWZLYKJASA-N 1 0 376.447 4.272 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Nc1cc(NC(=O)C(C)C)ccc1C)CC(C)C ZINC000048256301 822649112 /nfs/dbraw/zinc/64/91/12/822649112.db2.gz NSMPYSHIFBLFBI-IBGZPJMESA-N 1 0 390.572 4.468 20 0 GIADRO C[C@H]([NH2+]CCC(=O)Nc1cc(N)ccc1F)c1nc(-c2ccccc2)cs1 ZINC000184522766 822650402 /nfs/dbraw/zinc/65/04/02/822650402.db2.gz MANYYMXMGZWXSK-ZDUSSCGKSA-N 1 0 384.480 4.211 20 0 GIADRO COc1ccc(S[C@@H](C)C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000048276700 822650892 /nfs/dbraw/zinc/65/08/92/822650892.db2.gz OXCLDMPHARAXFG-KRWDZBQOSA-N 1 0 384.545 4.088 20 0 GIADRO CC(=O)Nc1ccc(C)c(NC(=O)NCc2ccccc2C[NH+]2CCCCC2)c1 ZINC000048274449 822650956 /nfs/dbraw/zinc/65/09/56/822650956.db2.gz OBYRAHWACWBLRE-UHFFFAOYSA-N 1 0 394.519 4.261 20 0 GIADRO CCc1nc2c(s1)[C@H]([NH2+][C@@H]1CCN(C(C)=O)Cc3cc(F)ccc31)CCC2 ZINC000184527433 822651241 /nfs/dbraw/zinc/65/12/41/822651241.db2.gz RIGLYRHPFPILGA-QZTJIDSGSA-N 1 0 387.524 4.305 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1ccc2c(c1)CN(CC(F)F)C2 ZINC000455424080 822651261 /nfs/dbraw/zinc/65/12/61/822651261.db2.gz CCXHEWKIVCFXRC-INIZCTEOSA-N 1 0 394.510 4.043 20 0 GIADRO C[C@@H](Cc1cccs1)NC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180270011 822651797 /nfs/dbraw/zinc/65/17/97/822651797.db2.gz HTXZCBVTTZHZNR-KRWDZBQOSA-N 1 0 386.565 4.022 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CSCc1ccncc1 ZINC000048323452 822653624 /nfs/dbraw/zinc/65/36/24/822653624.db2.gz OAZBFSGJDAYCQV-GOSISDBHSA-N 1 0 383.561 4.006 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccccc1OC(F)(F)F ZINC000180283589 822654926 /nfs/dbraw/zinc/65/49/26/822654926.db2.gz RZJXYDIYUOFNSV-KRWDZBQOSA-N 1 0 392.421 4.179 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]C[C@H](O)COCc1ccco1 ZINC000184547581 822655310 /nfs/dbraw/zinc/65/53/10/822655310.db2.gz DQZNGELXZWOVJN-QAPCUYQASA-N 1 0 386.517 4.248 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(C)c(NC(C)=O)c1)c1ccccc1 ZINC000048363059 822656446 /nfs/dbraw/zinc/65/64/46/822656446.db2.gz PFQAUILZYBEFFN-NRFANRHFSA-N 1 0 382.508 4.158 20 0 GIADRO Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000180294322 822657829 /nfs/dbraw/zinc/65/78/29/822657829.db2.gz MHSNLOFQLFJPLT-DLBZAZTESA-N 1 0 389.569 4.018 20 0 GIADRO Cc1nc2cc(F)cc(C(=O)NC[C@@H](c3cccs3)[NH+]3CCCC3)c2nc1C ZINC000048381944 822657915 /nfs/dbraw/zinc/65/79/15/822657915.db2.gz IHYHFLONKKSSAR-SFHVURJKSA-N 1 0 398.507 4.014 20 0 GIADRO Cc1nc(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c(-c2ccccc2)o1 ZINC000184563757 822658025 /nfs/dbraw/zinc/65/80/25/822658025.db2.gz ZDOGRHXVNJDGHG-QGZVFWFLSA-N 1 0 395.528 4.354 20 0 GIADRO Cc1cc(C[C@H](C)[NH2+]Cc2c[nH]nc2-c2ccc(C)o2)n(-c2ccccc2)n1 ZINC000180296800 822658541 /nfs/dbraw/zinc/65/85/41/822658541.db2.gz LRIAVZXMYBOTSW-HNNXBMFYSA-N 1 0 375.476 4.193 20 0 GIADRO C[C@H]([NH2+]Cc1ccn(-c2ccccc2)n1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000180296875 822658560 /nfs/dbraw/zinc/65/85/60/822658560.db2.gz VUBNKXYDOLZDCI-YADARESESA-N 1 0 391.515 4.287 20 0 GIADRO CCC(=O)Nc1ccc(NC(=O)NCc2ccc(C[NH+](CC)CC)cc2)cc1 ZINC000048393089 822659075 /nfs/dbraw/zinc/65/90/75/822659075.db2.gz XYCORUXHSCVWAP-UHFFFAOYSA-N 1 0 382.508 4.199 20 0 GIADRO CCC(CC)[C@@H]1C[C@H](NC(=O)NCc2ccccc2C[NH+]2CCCC2)CCO1 ZINC000180300279 822659447 /nfs/dbraw/zinc/65/94/47/822659447.db2.gz VEEBDCMZSLYZDR-YADHBBJMSA-N 1 0 387.568 4.065 20 0 GIADRO Cc1cc(C)c(NC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)c(C)n1 ZINC000455465669 822659828 /nfs/dbraw/zinc/65/98/28/822659828.db2.gz FBLZMWSNGIEEMK-UHFFFAOYSA-N 1 0 380.536 4.179 20 0 GIADRO CCSc1cccc(Br)c1NC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000455476893 822662043 /nfs/dbraw/zinc/66/20/43/822662043.db2.gz ZFYBFFYYMHRCDA-TXEJJXNPSA-N 1 0 386.359 4.117 20 0 GIADRO CC(C)NC(=O)Nc1cccc(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)c1 ZINC000180314320 822662071 /nfs/dbraw/zinc/66/20/71/822662071.db2.gz CLLLZYHOZHUSTE-UHFFFAOYSA-N 1 0 394.519 4.107 20 0 GIADRO 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 822663218 /nfs/dbraw/zinc/66/32/18/822663218.db2.gz XLMRIRXNRRRLKO-WCSCSJSISA-N 1 0 395.469 4.423 20 0 GIADRO Cc1cc(Br)cc(C)c1NC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000048467508 822664970 /nfs/dbraw/zinc/66/49/70/822664970.db2.gz QPYAMUVRRZNATL-UHFFFAOYSA-N 1 0 380.330 4.158 20 0 GIADRO Cc1cc(C)c(NC(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)c(C)n1 ZINC000455493493 822665384 /nfs/dbraw/zinc/66/53/84/822665384.db2.gz MEIVAPAEWQOLGK-QGZVFWFLSA-N 1 0 394.441 4.450 20 0 GIADRO O=C(NC(c1ccc(F)cc1)c1ccc(F)cc1)NC1CC[NH+](C2CCC2)CC1 ZINC000455499973 822666540 /nfs/dbraw/zinc/66/65/40/822666540.db2.gz DUWQYXCCDPOPIH-UHFFFAOYSA-N 1 0 399.485 4.370 20 0 GIADRO Cc1c(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cccc1-c1ncco1 ZINC000455504070 822667457 /nfs/dbraw/zinc/66/74/57/822667457.db2.gz IWQHIRVHMSGDRS-GOSISDBHSA-N 1 0 380.448 4.202 20 0 GIADRO O=S1(=O)CCC(C[NH2+]Cc2c(Cl)cccc2Oc2ccccc2)CC1 ZINC000180349146 822667944 /nfs/dbraw/zinc/66/79/44/822667944.db2.gz JVKUMQODAKLSSR-UHFFFAOYSA-N 1 0 379.909 4.047 20 0 GIADRO C[C@H](NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1c(F)cccc1Cl ZINC000180355614 822669290 /nfs/dbraw/zinc/66/92/90/822669290.db2.gz FTRPTPWTUVXSJS-AWEZNQCLSA-N 1 0 390.890 4.151 20 0 GIADRO CC(C)Oc1ccc2ccccc2c1C[NH2+][C@H](C)c1ccc(-n2cnnn2)cc1 ZINC000184642373 822670004 /nfs/dbraw/zinc/67/00/04/822670004.db2.gz ZMWYGIPGOLEXRO-QGZVFWFLSA-N 1 0 387.487 4.454 20 0 GIADRO C[C@@H](NC1CC[NH+](CCc2ccccc2)CC1)c1nc(-c2cccc(F)c2)no1 ZINC000184645540 822670598 /nfs/dbraw/zinc/67/05/98/822670598.db2.gz QKPLYWAJWSONCZ-QGZVFWFLSA-N 1 0 394.494 4.233 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)Cc1cccc(OCc2cccnc2)c1 ZINC000180365055 822670832 /nfs/dbraw/zinc/67/08/32/822670832.db2.gz SVKXEAUISBMCAE-UHFFFAOYSA-N 1 0 389.499 4.212 20 0 GIADRO Cc1cc(C)c(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c(C)n1 ZINC000455530993 822671286 /nfs/dbraw/zinc/67/12/86/822671286.db2.gz RZFWZGAKHFASFF-FQEVSTJZSA-N 1 0 380.536 4.429 20 0 GIADRO COc1ccc(NC(=O)NC[C@H](c2ccsc2)[NH+](C)C)c(C(F)(F)F)c1 ZINC000048549659 822671357 /nfs/dbraw/zinc/67/13/57/822671357.db2.gz WCRDGSPQTBCZMA-OAHLLOKOSA-N 1 0 387.427 4.200 20 0 GIADRO COc1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C(F)(F)F)c1 ZINC000048549760 822671658 /nfs/dbraw/zinc/67/16/58/822671658.db2.gz KSIQTPKWDXBFHC-OAHLLOKOSA-N 1 0 393.409 4.110 20 0 GIADRO COc1ccc([C@H](C[NH2+][C@@H]2CCSc3ccc(F)cc32)N(C)C)cc1OC ZINC000180381447 822673076 /nfs/dbraw/zinc/67/30/76/822673076.db2.gz STNGNOXFHLTQLH-MSOLQXFVSA-N 1 0 390.524 4.272 20 0 GIADRO C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000455552267 822673874 /nfs/dbraw/zinc/67/38/74/822673874.db2.gz FKEIJHKOYSZFPE-CVEARBPZSA-N 1 0 377.960 4.490 20 0 GIADRO C[C@H]1CCN(C(=O)Nc2cc(F)cc(F)c2F)CC[N@@H+]1Cc1ccccc1 ZINC000455565077 822675377 /nfs/dbraw/zinc/67/53/77/822675377.db2.gz KPNCXPXJDFSLPJ-AWEZNQCLSA-N 1 0 377.410 4.232 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)Nc2ccc(OC(F)F)cn2)CC1 ZINC000455569054 822676139 /nfs/dbraw/zinc/67/61/39/822676139.db2.gz KELDONBEENRMRU-CQSZACIVSA-N 1 0 390.434 4.030 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)N1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000455570189 822676293 /nfs/dbraw/zinc/67/62/93/822676293.db2.gz WZSGVHRQCLXCLU-DEOSSOPVSA-N 1 0 381.564 4.083 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)N1CCC(F)(c2cccc(Cl)c2)CC1 ZINC000455570515 822676360 /nfs/dbraw/zinc/67/63/60/822676360.db2.gz XDUZVTNABPUKBR-UHFFFAOYSA-N 1 0 393.934 4.327 20 0 GIADRO COc1cc(Cl)cc(C[NH+]2CCC(C(=O)Nc3ccc(F)cc3)CC2)c1O ZINC000184687281 822676572 /nfs/dbraw/zinc/67/65/72/822676572.db2.gz UQJOWXFLWLJWSD-UHFFFAOYSA-N 1 0 392.858 4.044 20 0 GIADRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](c1ccccc1)c1ccccc1Br)CC2 ZINC000180409801 822676907 /nfs/dbraw/zinc/67/69/07/822676907.db2.gz GEROCKSJXYIPAM-UZLBHIALSA-N 1 0 397.320 4.043 20 0 GIADRO COc1ccc([C@H]([NH2+][C@@H]2CCc3nc(C)nn3C2)c2ccc(Cl)cc2)cc1C ZINC000180410086 822677113 /nfs/dbraw/zinc/67/71/13/822677113.db2.gz YWRAQPPKXMAOGF-DENIHFKCSA-N 1 0 396.922 4.251 20 0 GIADRO CC(C)(C)OC(=O)NC1CCC([NH2+]CCCc2nc3c(s2)CCCC3)CC1 ZINC000180410408 822677141 /nfs/dbraw/zinc/67/71/41/822677141.db2.gz PURZWZAVULSWPU-UHFFFAOYSA-N 1 0 393.597 4.380 20 0 GIADRO CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2SC(C)C)C1 ZINC000180411002 822677337 /nfs/dbraw/zinc/67/73/37/822677337.db2.gz VDAUTTDLDSAYDB-HNNXBMFYSA-N 1 0 399.398 4.298 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(COc2ccccc2)cc1)c1ccc(-n2cnnn2)cc1 ZINC000180411770 822677545 /nfs/dbraw/zinc/67/75/45/822677545.db2.gz JOQFFVOXODDWBH-SFHVURJKSA-N 1 0 385.471 4.092 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2ncccc2C(F)(F)F)CC1 ZINC000180413363 822677605 /nfs/dbraw/zinc/67/76/05/822677605.db2.gz DTAUMGAKSBJVFT-HNNXBMFYSA-N 1 0 383.458 4.217 20 0 GIADRO CS[C@@H](C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1)c1ccccc1 ZINC000180417792 822678250 /nfs/dbraw/zinc/67/82/50/822678250.db2.gz WWSMZNRVEHGQON-OAQYLSRUSA-N 1 0 383.561 4.260 20 0 GIADRO CCCN(C)c1ccc(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)cc1 ZINC000180419409 822678521 /nfs/dbraw/zinc/67/85/21/822678521.db2.gz LVVXCAFOKVGLGY-UHFFFAOYSA-N 1 0 394.563 4.316 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1cc(-c2ccccc2)no1 ZINC000180421832 822678899 /nfs/dbraw/zinc/67/88/99/822678899.db2.gz PCUMSLPYEQWZEC-UHFFFAOYSA-N 1 0 390.487 4.115 20 0 GIADRO CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H](C)c2sc(CCOC)nc2C)c1 ZINC000180423912 822679249 /nfs/dbraw/zinc/67/92/49/822679249.db2.gz VLLLLRPWFUTIMG-GJZGRUSLSA-N 1 0 389.565 4.476 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H](c3ccccc3)C3CC3)cc2)CC1 ZINC000180424581 822679454 /nfs/dbraw/zinc/67/94/54/822679454.db2.gz UFVGUIZVBMIYMX-QHCPKHFHSA-N 1 0 377.532 4.349 20 0 GIADRO COc1ccc(C(=O)NCC[NH2+][C@H](C)c2sc(-c3ccccc3)nc2C)cc1 ZINC000180424823 822679467 /nfs/dbraw/zinc/67/94/67/822679467.db2.gz HGRWAOUDGVKHMR-OAHLLOKOSA-N 1 0 395.528 4.208 20 0 GIADRO CCNC(=O)c1ccc(C[NH2+]Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)cc1 ZINC000048713273 822679494 /nfs/dbraw/zinc/67/94/94/822679494.db2.gz RGXMTVFWFHUGDS-UHFFFAOYSA-N 1 0 396.922 4.182 20 0 GIADRO C[C@@H]1CC=C(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C(F)(F)F)CC1 ZINC000455588274 822679553 /nfs/dbraw/zinc/67/95/53/822679553.db2.gz GSOPSYULMCJAGY-CQSZACIVSA-N 1 0 381.442 4.142 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000180427273 822679649 /nfs/dbraw/zinc/67/96/49/822679649.db2.gz DYCFSQPALFZHNT-UHFFFAOYSA-N 1 0 391.437 4.479 20 0 GIADRO CN(C(=O)N[C@@H](c1ccccc1)C(F)F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000455593410 822680501 /nfs/dbraw/zinc/68/05/01/822680501.db2.gz HDONRIXTWIHJKO-FQEVSTJZSA-N 1 0 387.474 4.299 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1cc(F)c(F)cc1Cl ZINC000180431976 822680646 /nfs/dbraw/zinc/68/06/46/822680646.db2.gz VDOJWSRWHRJTNM-UHFFFAOYSA-N 1 0 393.865 4.392 20 0 GIADRO CCCCOc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3cncn3)c(F)c2)cc1OC ZINC000048745301 822680774 /nfs/dbraw/zinc/68/07/74/822680774.db2.gz SMWOKGYRLYYVSX-MRXNPFEDSA-N 1 0 398.482 4.445 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N[C@@H](c1ccccc1)C(F)F ZINC000455594789 822680855 /nfs/dbraw/zinc/68/08/55/822680855.db2.gz JBLIKQFQSVSZDI-AEFFLSMTSA-N 1 0 377.435 4.112 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000184718201 822681393 /nfs/dbraw/zinc/68/13/93/822681393.db2.gz ABTNXKVLMQKRRK-ZWKOTPCHSA-N 1 0 388.433 4.120 20 0 GIADRO COc1cccc([C@@H](C)CC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000180436552 822681493 /nfs/dbraw/zinc/68/14/93/822681493.db2.gz FVMDVGMSTHEKGC-IBGZPJMESA-N 1 0 395.547 4.349 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000180436016 822681495 /nfs/dbraw/zinc/68/14/95/822681495.db2.gz DNDAPMTYJQGNHE-RBUKOAKNSA-N 1 0 399.485 4.228 20 0 GIADRO COc1cccc([C@H](C)CC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000180436572 822681551 /nfs/dbraw/zinc/68/15/51/822681551.db2.gz FVMDVGMSTHEKGC-LJQANCHMSA-N 1 0 395.547 4.349 20 0 GIADRO O=C(N[C@@H](c1ccccc1)C(F)F)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000455598603 822681732 /nfs/dbraw/zinc/68/17/32/822681732.db2.gz NRLFJDRFUDEKMR-VTHDOGFWSA-N 1 0 399.485 4.488 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)CCCOc1ccccc1F ZINC000180438387 822682167 /nfs/dbraw/zinc/68/21/67/822682167.db2.gz USJQOQIJORAROT-UHFFFAOYSA-N 1 0 399.510 4.145 20 0 GIADRO COCCC1(C[NH2+][C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)CCCCC1 ZINC000184723022 822682278 /nfs/dbraw/zinc/68/22/78/822682278.db2.gz WHXMPZDGEZLBJR-AWEZNQCLSA-N 1 0 377.554 4.239 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1cnc(Cl)c(Cl)c1 ZINC000180440332 822682414 /nfs/dbraw/zinc/68/24/14/822682414.db2.gz IQOVOSNXJAFZGR-UHFFFAOYSA-N 1 0 393.318 4.162 20 0 GIADRO CNC(=O)COc1cccc(C[NH2+]Cc2c3ccccc3cc3ccccc32)c1 ZINC000048778474 822682452 /nfs/dbraw/zinc/68/24/52/822682452.db2.gz RYSQTIQTEWHNBK-UHFFFAOYSA-N 1 0 384.479 4.408 20 0 GIADRO COc1ccc(C[NH2+]Cc2cccc(NC(=O)c3ccc(F)cc3)c2)c(OC)c1 ZINC000048781049 822682848 /nfs/dbraw/zinc/68/28/48/822682848.db2.gz SYSIDZUMANXWPH-UHFFFAOYSA-N 1 0 394.446 4.385 20 0 GIADRO C[N@H+](CCCCNC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1)C1CC1 ZINC000455604450 822682921 /nfs/dbraw/zinc/68/29/21/822682921.db2.gz GDFPQOVMBZFVNL-SFHVURJKSA-N 1 0 383.458 4.330 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)N[C@@H](c2ccccc2)C(F)F)[NH+]2CCCC2)o1 ZINC000455604238 822682930 /nfs/dbraw/zinc/68/29/30/822682930.db2.gz TZZLTAPZBVFIEI-AEFFLSMTSA-N 1 0 377.435 4.031 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@@H](c2ccccc2)C(F)F)CC1 ZINC000455604249 822683038 /nfs/dbraw/zinc/68/30/38/822683038.db2.gz UASCOSOGWBPKKR-FQEVSTJZSA-N 1 0 387.474 4.265 20 0 GIADRO COc1ccc(C[C@@H](C)C(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000180445301 822683130 /nfs/dbraw/zinc/68/31/30/822683130.db2.gz NJMLSHSWUSBPSZ-LJQANCHMSA-N 1 0 395.547 4.034 20 0 GIADRO COc1ccc(C[C@H](C)C(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000180445283 822683184 /nfs/dbraw/zinc/68/31/84/822683184.db2.gz NJMLSHSWUSBPSZ-IBGZPJMESA-N 1 0 395.547 4.034 20 0 GIADRO CC1(C(=O)NCc2cc(-c3ccccc3)on2)CC[NH+](Cc2ccccc2)CC1 ZINC000184733283 822683609 /nfs/dbraw/zinc/68/36/09/822683609.db2.gz BRVXADMNLGOTGJ-UHFFFAOYSA-N 1 0 389.499 4.260 20 0 GIADRO COc1ccccc1COC1CC[NH+](Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000184735475 822683889 /nfs/dbraw/zinc/68/38/89/822683889.db2.gz FUVRKIJAKAXQPC-UHFFFAOYSA-N 1 0 391.895 4.244 20 0 GIADRO COCc1ccc(CNC(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)cc1 ZINC000048807512 822683942 /nfs/dbraw/zinc/68/39/42/822683942.db2.gz GJGYNNUNOFMLFJ-UHFFFAOYSA-N 1 0 395.547 4.064 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1cccc(OC(F)F)c1 ZINC000180452504 822684923 /nfs/dbraw/zinc/68/49/23/822684923.db2.gz HOBYRUPWNHUYQU-UHFFFAOYSA-N 1 0 389.446 4.062 20 0 GIADRO COCc1ccc(CNC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000048828358 822684984 /nfs/dbraw/zinc/68/49/84/822684984.db2.gz ZKEPRYGRUJQMKZ-IBGZPJMESA-N 1 0 395.547 4.064 20 0 GIADRO C[N@H+](CCCCNC(=O)N1CCC[C@@H]1Cc1c(F)cccc1Cl)C1CC1 ZINC000455622660 822685729 /nfs/dbraw/zinc/68/57/29/822685729.db2.gz UZHUPDHTWCAZKS-MRXNPFEDSA-N 1 0 381.923 4.070 20 0 GIADRO CC(C)[NH+]1CCC(Nc2ccc(CC(=O)N3CCc4ccccc43)cc2)CC1 ZINC000180456059 822685753 /nfs/dbraw/zinc/68/57/53/822685753.db2.gz TUKOKJWJOUPTBU-UHFFFAOYSA-N 1 0 377.532 4.103 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CC(C)(C)c2ccc(OC)cc2)cc1 ZINC000180460201 822686136 /nfs/dbraw/zinc/68/61/36/822686136.db2.gz DCXPFBMMQWZUKG-INIZCTEOSA-N 1 0 390.549 4.085 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)N[C@@H]2CCCOc3c(Cl)cccc32)c1 ZINC000180466651 822687214 /nfs/dbraw/zinc/68/72/14/822687214.db2.gz CTCKBBMSZSYJRY-LJQANCHMSA-N 1 0 387.911 4.115 20 0 GIADRO O=C(NNc1cc[nH+]cc1)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000180469520 822687580 /nfs/dbraw/zinc/68/75/80/822687580.db2.gz QBBAQCHCHHKRAA-UHFFFAOYSA-N 1 0 389.846 4.345 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)Nc3cccc(C4CC4)n3)CC2)cc1 ZINC000455643283 822689690 /nfs/dbraw/zinc/68/96/90/822689690.db2.gz MRGVLOQMNQKORL-UHFFFAOYSA-N 1 0 394.519 4.001 20 0 GIADRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)N[C@@H](c1nccs1)C(F)(F)F ZINC000455643907 822689700 /nfs/dbraw/zinc/68/97/00/822689700.db2.gz WAOTZMCYMGCMKP-ZDUSSCGKSA-N 1 0 392.491 4.090 20 0 GIADRO CCCOc1ccc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)cc1OCCC ZINC000049073525 822692179 /nfs/dbraw/zinc/69/21/79/822692179.db2.gz WDZUSBVHVNIZLD-UHFFFAOYSA-N 1 0 388.552 4.212 20 0 GIADRO COCc1c(C(=O)N2CCC(C[NH+]3CCCC3)CC2)sc2cccc(F)c21 ZINC000049072844 822692214 /nfs/dbraw/zinc/69/22/14/822692214.db2.gz FGHSILZEGYHYBQ-UHFFFAOYSA-N 1 0 390.524 4.135 20 0 GIADRO CCCc1noc2nc(C3CC3)cc(C(=O)N3CCC(C[NH+](CC)CC)CC3)c12 ZINC000049075196 822692216 /nfs/dbraw/zinc/69/22/16/822692216.db2.gz QPLXDTXMVNRLFO-UHFFFAOYSA-N 1 0 398.551 4.247 20 0 GIADRO COc1ccc(NC(=O)C[C@H](C)[NH2+]CCCc2ccc(Cl)cc2)c(OC)c1 ZINC000180506183 822692867 /nfs/dbraw/zinc/69/28/67/822692867.db2.gz SFDHNWCEZCJFTG-HNNXBMFYSA-N 1 0 390.911 4.297 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)NCc1ncc(-c2ccccc2)o1)c1ccsc1 ZINC000049118950 822693232 /nfs/dbraw/zinc/69/32/32/822693232.db2.gz MKUFRDCQJLSNLR-SFHVURJKSA-N 1 0 398.532 4.285 20 0 GIADRO O[C@H](C[C@@H]1CCC[N@@H+]1Cc1ccc(Oc2cnccn2)cc1)c1cccs1 ZINC000180507665 822693354 /nfs/dbraw/zinc/69/33/54/822693354.db2.gz AVXXMOQEUPFDML-PKOBYXMFSA-N 1 0 381.501 4.419 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]Cc2cc(Br)c(OC)c(OC)c2)c(F)c1 ZINC000180507607 822693360 /nfs/dbraw/zinc/69/33/60/822693360.db2.gz ZSCKAPDWGMMNFY-LLVKDONJSA-N 1 0 398.272 4.465 20 0 GIADRO CC(C)(C)OC(=O)NC1CCC([NH2+]C[C@@H](O)c2ccc3ccccc3c2)CC1 ZINC000180508890 822693525 /nfs/dbraw/zinc/69/35/25/822693525.db2.gz MRPKMGGGUMAGIX-XVAXZDLZSA-N 1 0 384.520 4.299 20 0 GIADRO COc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccccc3CSC)CC2)cc1 ZINC000184808746 822693818 /nfs/dbraw/zinc/69/38/18/822693818.db2.gz WZIISGBINJUMFB-UHFFFAOYSA-N 1 0 399.560 4.298 20 0 GIADRO CC(C)c1ccc([C@@H]2CCCCN2C(=O)Nc2ccnn2CC[NH+](C)C)cc1 ZINC000455662108 822694257 /nfs/dbraw/zinc/69/42/57/822694257.db2.gz VEVLABCFNQKZLY-FQEVSTJZSA-N 1 0 383.540 4.327 20 0 GIADRO CC(C)Oc1cccc([C@@H](C)NC(=O)NC[C@H](c2ccsc2)[NH+](C)C)c1 ZINC000049194965 822694716 /nfs/dbraw/zinc/69/47/16/822694716.db2.gz BCWNOOSDODFBIF-DNVCBOLYSA-N 1 0 375.538 4.198 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CC[C@H](C)NC(=O)OC(C)(C)C ZINC000180520464 822695482 /nfs/dbraw/zinc/69/54/82/822695482.db2.gz OACZJVAKTFGMBX-UONOGXRCSA-N 1 0 390.553 4.467 20 0 GIADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(Br)cc1C(F)(F)F ZINC000180529405 822696937 /nfs/dbraw/zinc/69/69/37/822696937.db2.gz OACCWULHNSTZSA-LBPRGKRZSA-N 1 0 393.247 4.072 20 0 GIADRO O=C(Nc1ccc(C2CCC2)cn1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000455672825 822697010 /nfs/dbraw/zinc/69/70/10/822697010.db2.gz FMOLKUKNWYQAKF-YADHBBJMSA-N 1 0 390.531 4.335 20 0 GIADRO C[C@@H](Nc1ccc(NC(=O)Nc2ccnn2CC[NH+](C)C)cc1)c1ccccc1 ZINC000455673475 822697042 /nfs/dbraw/zinc/69/70/42/822697042.db2.gz XDARRXKEVUQALO-QGZVFWFLSA-N 1 0 392.507 4.262 20 0 GIADRO Cc1nc(CCCC(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)cs1 ZINC000184836238 822697628 /nfs/dbraw/zinc/69/76/28/822697628.db2.gz HBOXBYRSTHVJNW-KRWDZBQOSA-N 1 0 399.482 4.212 20 0 GIADRO Cc1ccc(C2CC([NH2+]Cc3ccc(C(=O)N4C[C@@H](C)O[C@@H](C)C4)cc3)C2)cc1 ZINC000180535286 822697833 /nfs/dbraw/zinc/69/78/33/822697833.db2.gz LKSLTMGNOVZEEZ-LHHMWQFHSA-N 1 0 392.543 4.280 20 0 GIADRO COc1ccc([C@@H]([NH2+]CCNC(=O)c2ccccc2Cl)c2ccccc2)cc1 ZINC000180538234 822698492 /nfs/dbraw/zinc/69/84/92/822698492.db2.gz TXENXQJONORHAT-QFIPXVFZSA-N 1 0 394.902 4.458 20 0 GIADRO C[C@H]([NH2+]C[C@H](c1ccco1)N1CCCC1)c1ccc(Br)cc1O ZINC000184845322 822699432 /nfs/dbraw/zinc/69/94/32/822699432.db2.gz URQXECIGFCJYIA-XJKSGUPXSA-N 1 0 379.298 4.235 20 0 GIADRO CCOc1ccccc1CC[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000180546424 822699863 /nfs/dbraw/zinc/69/98/63/822699863.db2.gz QURREIGRMLWBOG-UHFFFAOYSA-N 1 0 386.923 4.176 20 0 GIADRO CC(C)c1cccc(NC(=O)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000049383145 822699986 /nfs/dbraw/zinc/69/99/86/822699986.db2.gz GAEFRMWLTXDCLY-UHFFFAOYSA-N 1 0 393.531 4.051 20 0 GIADRO CC(C)OCCSc1nc2ccccc2c(=O)n1CC[NH+](C(C)C)C(C)C ZINC000049552489 822701667 /nfs/dbraw/zinc/70/16/67/822701667.db2.gz JAEDBEJLRNOPIX-UHFFFAOYSA-N 1 0 391.581 4.032 20 0 GIADRO CC(=O)c1cccc(OC[C@@H](O)C[NH2+][C@H](CC(F)(F)F)c2ccc(F)cc2)c1 ZINC000180559157 822702291 /nfs/dbraw/zinc/70/22/91/822702291.db2.gz FVORDNWGYMZJLG-PKOBYXMFSA-N 1 0 399.384 4.051 20 0 GIADRO CS[C@@H]1CCC[C@H]([NH2+][C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)C1 ZINC000180567465 822703730 /nfs/dbraw/zinc/70/37/30/822703730.db2.gz WEBAPJLKXCJPKJ-ZVDOUQERSA-N 1 0 389.586 4.443 20 0 GIADRO C[C@@H](c1ccc(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)cc1)C(F)(F)F ZINC000455696565 822704792 /nfs/dbraw/zinc/70/47/92/822704792.db2.gz ZGOCLSBDWMKSOS-HNNXBMFYSA-N 1 0 391.437 4.142 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1O)c1ccc2c(c1)OCCO2 ZINC000184875469 822705364 /nfs/dbraw/zinc/70/53/64/822705364.db2.gz YUSHJHRYEFDOCT-NEPJUHHUSA-N 1 0 378.266 4.338 20 0 GIADRO CC(=O)N(c1ccc(NC(=O)N(C)CC[NH+](C(C)C)C(C)C)cc1)[C@@H]1C[C@@H]1C ZINC000455697631 822705436 /nfs/dbraw/zinc/70/54/36/822705436.db2.gz JMADQEHUDXVLJC-LAUBAEHRSA-N 1 0 388.556 4.030 20 0 GIADRO CC1(C(=O)OCc2nc(-c3ccsc3)no2)CC[NH+](Cc2ccccc2)CC1 ZINC000184876913 822705554 /nfs/dbraw/zinc/70/55/54/822705554.db2.gz JORCXODSRGUZRR-UHFFFAOYSA-N 1 0 397.500 4.144 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc(Br)cc1O)c1ccc(-n2cncn2)cc1 ZINC000184885280 822707196 /nfs/dbraw/zinc/70/71/96/822707196.db2.gz SZDYXUBCVYRREE-CHWSQXEVSA-N 1 0 387.281 4.147 20 0 GIADRO CC(=O)N(c1ccc(NC(=O)NCCC[NH+](C(C)C)C(C)C)cc1)[C@@H]1C[C@@H]1C ZINC000455704682 822707782 /nfs/dbraw/zinc/70/77/82/822707782.db2.gz RITVIWFEXORFJI-LAUBAEHRSA-N 1 0 388.556 4.078 20 0 GIADRO O=C(N[C@H](CC1CCC1)c1ccccc1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000180602057 822709244 /nfs/dbraw/zinc/70/92/44/822709244.db2.gz HPRJWGGTAZLKLP-HSZRJFAPSA-N 1 0 392.547 4.277 20 0 GIADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)Nc1cn(C)nc1C1CCCCC1 ZINC000455711180 822709813 /nfs/dbraw/zinc/70/98/13/822709813.db2.gz BBDHWAALRNAWLZ-QGZVFWFLSA-N 1 0 383.540 4.110 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)N3C[C@@H](c4ccccc4)C[C@@H]3C)c2)CC1 ZINC000184906894 822711051 /nfs/dbraw/zinc/71/10/51/822711051.db2.gz OIZGHKPJWCNWBX-FPOVZHCZSA-N 1 0 392.547 4.238 20 0 GIADRO Cc1csc(SCc2ccc(C(=O)NCC(C)(C)C[NH+](C)C)cc2)n1 ZINC000049946064 822712302 /nfs/dbraw/zinc/71/23/02/822712302.db2.gz JJFDBFNRHZGMSV-UHFFFAOYSA-N 1 0 377.579 4.061 20 0 GIADRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)Nc1ccc2c(c1)CCC2=O ZINC000455719105 822712651 /nfs/dbraw/zinc/71/26/51/822712651.db2.gz UCRYBZUEILIHOD-UHFFFAOYSA-N 1 0 385.895 4.065 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)c1ccc(C(F)(F)F)cc1 ZINC000184920687 822713309 /nfs/dbraw/zinc/71/33/09/822713309.db2.gz VQYIDQNYYDLLCI-AWEZNQCLSA-N 1 0 398.450 4.096 20 0 GIADRO O=C(Nc1ccccc1OCCF)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000455724502 822714199 /nfs/dbraw/zinc/71/41/99/822714199.db2.gz PCHNJWMPIMRCLK-UHFFFAOYSA-N 1 0 377.504 4.155 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)N(C)[C@H](C)c3ccccc3F)c2)CC1 ZINC000184928835 822714705 /nfs/dbraw/zinc/71/47/05/822714705.db2.gz KLMGALULSZAJIA-QGZVFWFLSA-N 1 0 384.499 4.193 20 0 GIADRO CC(C)C(=O)Nc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000050026543 822714789 /nfs/dbraw/zinc/71/47/89/822714789.db2.gz SFIJKUUHUUZZMG-IBGZPJMESA-N 1 0 379.504 4.132 20 0 GIADRO C[C@H](NC(=O)Nc1ccccc1OCCF)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000455727314 822714985 /nfs/dbraw/zinc/71/49/85/822714985.db2.gz WIFXEUMJFWFBSO-HKUYNNGSSA-N 1 0 385.483 4.067 20 0 GIADRO CCOC(=O)CC[NH2+][C@@H](C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000184954889 822718071 /nfs/dbraw/zinc/71/80/71/822718071.db2.gz IZFYFYINAOXFHZ-NSHDSACASA-N 1 0 383.311 4.176 20 0 GIADRO C[C@@H](C(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1cn(C)c2ccccc12 ZINC000184959765 822718541 /nfs/dbraw/zinc/71/85/41/822718541.db2.gz LBZAEDNKLQMEHY-LJQANCHMSA-N 1 0 389.543 4.105 20 0 GIADRO CCCn1ncc(NC(=O)N[C@@H]2CCCC[C@@H]2C[NH+](CC)CC)c1C1CC1 ZINC000455746410 822718915 /nfs/dbraw/zinc/71/89/15/822718915.db2.gz DZCGYGKORKTGKH-QZTJIDSGSA-N 1 0 375.561 4.193 20 0 GIADRO CSc1cccc(C)c1NC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000184964629 822719341 /nfs/dbraw/zinc/71/93/41/822719341.db2.gz BUHUPTHYEVKQBD-UHFFFAOYSA-N 1 0 375.513 4.452 20 0 GIADRO CC(=O)c1cccc(OC[C@H](O)C[NH2+][C@H](Cc2ccccc2)c2cccs2)c1 ZINC000184967420 822719633 /nfs/dbraw/zinc/71/96/33/822719633.db2.gz YGQZJRWCHDKZJT-IFMALSPDSA-N 1 0 395.524 4.264 20 0 GIADRO COCc1cccc(CNC(=O)C[NH2+][C@@H](Cc2ccccc2)c2cccs2)c1 ZINC000184973317 822720169 /nfs/dbraw/zinc/72/01/69/822720169.db2.gz HGZFUBSDBBPIHA-NRFANRHFSA-N 1 0 394.540 4.084 20 0 GIADRO Cn1cc(-c2cc(C[N@H+](Cc3ccc(C(F)(F)F)cc3)C3CC3)on2)cn1 ZINC000184974086 822720412 /nfs/dbraw/zinc/72/04/12/822720412.db2.gz PIAGLYIBUPDQFR-UHFFFAOYSA-N 1 0 376.382 4.259 20 0 GIADRO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)Nc2ccccc2C(C)(F)F)C1 ZINC000455764182 822722141 /nfs/dbraw/zinc/72/21/41/822722141.db2.gz CKEGJPLASPZNNI-QGZVFWFLSA-N 1 0 388.462 4.179 20 0 GIADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1cccc(OC(C)C)c1 ZINC000455765862 822722472 /nfs/dbraw/zinc/72/24/72/822722472.db2.gz DGFKYLOQJQUVAL-OAQYLSRUSA-N 1 0 396.535 4.387 20 0 GIADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1cccc(OC(C)C)c1 ZINC000455765860 822722482 /nfs/dbraw/zinc/72/24/82/822722482.db2.gz DGFKYLOQJQUVAL-NRFANRHFSA-N 1 0 396.535 4.387 20 0 GIADRO C[C@@H]([NH2+]C[C@H]1CCN(c2ccccc2)C1)c1ccc(Br)cc1O ZINC000184998879 822723585 /nfs/dbraw/zinc/72/35/85/822723585.db2.gz GRGMEPKHRBOKAK-HUUCEWRRSA-N 1 0 375.310 4.332 20 0 GIADRO O=C(CCCOc1ccccc1Cl)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000050310316 822724612 /nfs/dbraw/zinc/72/46/12/822724612.db2.gz QXVFKVXFCZUCOE-UHFFFAOYSA-N 1 0 386.923 4.280 20 0 GIADRO CCCNC(=O)c1cccc(C[NH2+][C@@H](C)c2cc(Br)ccc2O)c1 ZINC000185048191 822729117 /nfs/dbraw/zinc/72/91/17/822729117.db2.gz DNPHZRZVFOHHQP-ZDUSSCGKSA-N 1 0 391.309 4.145 20 0 GIADRO COc1cc(OC)c(C[NH2+][C@H](C)c2cc(Br)ccc2O)c(OC)c1 ZINC000185065856 822731703 /nfs/dbraw/zinc/73/17/03/822731703.db2.gz BUUIHFARHQRFSS-LLVKDONJSA-N 1 0 396.281 4.031 20 0 GIADRO Cc1ccc(C(=O)Nc2ccc(OCC[N@H+]3CC[C@H](C)C3)cc2)c(C2CC2)n1 ZINC000455822932 822732172 /nfs/dbraw/zinc/73/21/72/822732172.db2.gz MRDGZTXKTSBHLJ-INIZCTEOSA-N 1 0 379.504 4.240 20 0 GIADRO CC(C)C(=O)c1ccc(NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000455824329 822732522 /nfs/dbraw/zinc/73/25/22/822732522.db2.gz RUCSBMVNEIGGCD-UHFFFAOYSA-N 1 0 397.494 4.451 20 0 GIADRO Cc1ccc(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c(C2CC2)n1 ZINC000455830767 822733278 /nfs/dbraw/zinc/73/32/78/822733278.db2.gz SWTYWCHZDXHQMK-RUZDIDTESA-N 1 0 389.543 4.396 20 0 GIADRO CCCn1ncc(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c1C1CC1 ZINC000455830790 822733317 /nfs/dbraw/zinc/73/33/17/822733317.db2.gz NJEZCVLSSDWCLE-GOSISDBHSA-N 1 0 385.512 4.112 20 0 GIADRO CCCn1ncc(NC(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c1C1CC1 ZINC000455836607 822734235 /nfs/dbraw/zinc/73/42/35/822734235.db2.gz USFPBBBDQNVPDK-LPHOPBHVSA-N 1 0 381.524 4.128 20 0 GIADRO CCCn1ncc(NC(=O)NCc2ccccc2C[NH+]2CCCCC2)c1C1CC1 ZINC000455836506 822734330 /nfs/dbraw/zinc/73/43/30/822734330.db2.gz UBZKYKBYWUFEFV-UHFFFAOYSA-N 1 0 395.551 4.478 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)NCCc3cc(C(F)(F)F)ccn3)ccc21 ZINC000455841673 822735399 /nfs/dbraw/zinc/73/53/99/822735399.db2.gz FBLXEMPOTUKMGU-SFHVURJKSA-N 1 0 392.425 4.014 20 0 GIADRO CC[C@@H]1Cc2ccccc2CN1C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000185093731 822736145 /nfs/dbraw/zinc/73/61/45/822736145.db2.gz YRJKLJOMVAODKM-WZONZLPQSA-N 1 0 392.547 4.154 20 0 GIADRO O=C(Nc1ccc(Cl)cc1OCc1ccccc1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000455848143 822736475 /nfs/dbraw/zinc/73/64/75/822736475.db2.gz PBYLDXCBPQIXHP-LJQANCHMSA-N 1 0 397.906 4.397 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)NCc3ccc(OC(F)F)c(F)c3)ccc21 ZINC000455850333 822736702 /nfs/dbraw/zinc/73/67/02/822736702.db2.gz KUCKOIKYLXPGKQ-KRWDZBQOSA-N 1 0 393.409 4.298 20 0 GIADRO CN1CCC[C@H](NC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)c2ccccc21 ZINC000455852994 822737315 /nfs/dbraw/zinc/73/73/15/822737315.db2.gz MHOCBXVIKUQSDL-SFTDATJTSA-N 1 0 378.520 4.328 20 0 GIADRO Cc1ccccc1-c1ccc(Cl)c(C(=O)NCCN2CCC([NH+](C)C)CC2)c1 ZINC000455855165 822737644 /nfs/dbraw/zinc/73/76/44/822737644.db2.gz BWNPCAHWKSSVRB-UHFFFAOYSA-N 1 0 399.966 4.071 20 0 GIADRO COc1cc(C[NH2+]C[C@](C)(O)c2cccc(Cl)c2)c(SC)cc1OC ZINC000185113921 822738816 /nfs/dbraw/zinc/73/88/16/822738816.db2.gz HOJQPCDYNDVRJQ-IBGZPJMESA-N 1 0 381.925 4.076 20 0 GIADRO CN(Cc1cc(F)c(F)c(F)c1)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455862487 822739104 /nfs/dbraw/zinc/73/91/04/822739104.db2.gz RUOXRMSZIAGYII-GOSISDBHSA-N 1 0 377.410 4.317 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N[C@@H](c3nccs3)C(F)(F)F)ccc21 ZINC000455865150 822739233 /nfs/dbraw/zinc/73/92/33/822739233.db2.gz TZVNKZKWCPPESX-KBPBESRZSA-N 1 0 384.427 4.117 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)c2ccc(OCCOC)cc2Cl)c1 ZINC000185117836 822739350 /nfs/dbraw/zinc/73/93/50/822739350.db2.gz KDCCDLFBWMAREI-UHFFFAOYSA-N 1 0 390.911 4.459 20 0 GIADRO COc1ccc([C@H](C)NC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)c(C)c1OC ZINC000455867943 822739724 /nfs/dbraw/zinc/73/97/24/822739724.db2.gz VRBXRUXEDXUTRC-YWZLYKJASA-N 1 0 397.519 4.444 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CC[C@](F)(c4ccccc4F)C3)ccc21 ZINC000455869911 822740140 /nfs/dbraw/zinc/74/01/40/822740140.db2.gz WUIVWWATSXQUJR-IFMALSPDSA-N 1 0 385.458 4.477 20 0 GIADRO COc1cc(F)cc(C[C@@H](C)NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)c1 ZINC000455870312 822740170 /nfs/dbraw/zinc/74/01/70/822740170.db2.gz XEXDHTWVBHIPFP-SPLOXXLWSA-N 1 0 385.483 4.136 20 0 GIADRO Cc1ccccc1-c1ccc(Cl)c(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000455874130 822740772 /nfs/dbraw/zinc/74/07/72/822740772.db2.gz MRIFQTXYESQRPZ-SFHVURJKSA-N 1 0 398.934 4.110 20 0 GIADRO COc1ccccc1OC[C@H](C)CNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455875253 822740875 /nfs/dbraw/zinc/74/08/75/822740875.db2.gz AVPAVFRVKDWTPU-OXQOHEQNSA-N 1 0 397.519 4.081 20 0 GIADRO Cc1nn(C)c(N2CCOCC2)c1C[NH2+][C@H](C)c1ccc(Cl)c2ccccc21 ZINC000185136656 822741546 /nfs/dbraw/zinc/74/15/46/822741546.db2.gz LVQWFNWTIUWOLI-OAHLLOKOSA-N 1 0 398.938 4.223 20 0 GIADRO COc1ccc([C@H]2CCC[N@@H+]2CC2CCN(C(=O)C(C)(C)C)CC2)cc1OC ZINC000185151748 822743243 /nfs/dbraw/zinc/74/32/43/822743243.db2.gz IBQYWYKSZSAEBW-LJQANCHMSA-N 1 0 388.552 4.125 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)Nc1scnc1C(C)C)[NH+]1CCCC1 ZINC000455892103 822743349 /nfs/dbraw/zinc/74/33/49/822743349.db2.gz JTAAJCJALOEAOL-MRXNPFEDSA-N 1 0 388.537 4.234 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)NCc3ccc(Br)cc3)ccc21 ZINC000455891626 822743411 /nfs/dbraw/zinc/74/34/11/822743411.db2.gz BWYQTIGWKMSIRF-SFHVURJKSA-N 1 0 388.309 4.320 20 0 GIADRO CC(=O)c1ccc(NC(=O)CC[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)cc1 ZINC000050963692 822743452 /nfs/dbraw/zinc/74/34/52/822743452.db2.gz VXUHQJWWJUHEOU-QFIPXVFZSA-N 1 0 398.478 4.038 20 0 GIADRO CN(C)c1cc[nH+]cc1CNc1cccc(COCCOc2ccccc2)c1 ZINC000185160286 822744371 /nfs/dbraw/zinc/74/43/71/822744371.db2.gz GYPYRVXGGFJQRY-UHFFFAOYSA-N 1 0 377.488 4.355 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)NCc3csc(-c4ccco4)n3)ccc21 ZINC000455897959 822744574 /nfs/dbraw/zinc/74/45/74/822744574.db2.gz DZFDZRFLQSVTQN-KRWDZBQOSA-N 1 0 382.489 4.274 20 0 GIADRO C[N@@H+](Cc1ccc(Br)cc1)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000185165807 822744811 /nfs/dbraw/zinc/74/48/11/822744811.db2.gz MYCGTTBEJMKMMY-UHFFFAOYSA-N 1 0 381.358 4.166 20 0 GIADRO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000051049245 822744887 /nfs/dbraw/zinc/74/48/87/822744887.db2.gz DWEVDEHKYBFBRM-KNQAVFIVSA-N 1 0 395.547 4.177 20 0 GIADRO C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000185176733 822745746 /nfs/dbraw/zinc/74/57/46/822745746.db2.gz IERYKISGHZMGCR-WRWLIDTKSA-N 1 0 388.939 4.024 20 0 GIADRO COCCN(C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)[C@H](C)c1ccccc1 ZINC000455905416 822746088 /nfs/dbraw/zinc/74/60/88/822746088.db2.gz HMFCZXQWUPOGEQ-VGSWGCGISA-N 1 0 381.520 4.477 20 0 GIADRO Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000185190734 822747416 /nfs/dbraw/zinc/74/74/16/822747416.db2.gz RXNADFZRXHZDKJ-MRXNPFEDSA-N 1 0 380.602 4.399 20 0 GIADRO C[N@@H+](CC(=O)NCc1ccc(Cl)cc1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133458 822747444 /nfs/dbraw/zinc/74/74/44/822747444.db2.gz CMHBKJGTXVCSHE-DENIHFKCSA-N 1 0 386.923 4.056 20 0 GIADRO C[C@@H](c1ccc(C(=O)N2CC[C@@H](OCC[NH+]3CCCCC3)C2)cc1)C(F)(F)F ZINC000455913229 822748009 /nfs/dbraw/zinc/74/80/09/822748009.db2.gz YUNNSFHWNQJPHO-QFBILLFUSA-N 1 0 398.469 4.069 20 0 GIADRO C[C@H](c1ccc(C(=O)N2CC[C@H](OCC[NH+]3CCCCC3)C2)cc1)C(F)(F)F ZINC000455913225 822748036 /nfs/dbraw/zinc/74/80/36/822748036.db2.gz YUNNSFHWNQJPHO-APWZRJJASA-N 1 0 398.469 4.069 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC(C)(C)CCC(=O)OC(C)(C)C)ccc21 ZINC000455922573 822750125 /nfs/dbraw/zinc/75/01/25/822750125.db2.gz MHWZHESJWNIFLW-GOSISDBHSA-N 1 0 389.540 4.258 20 0 GIADRO CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)C1 ZINC000051201101 822750356 /nfs/dbraw/zinc/75/03/56/822750356.db2.gz WQOASMREFPWHCW-FXAWDEMLSA-N 1 0 380.488 4.275 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCN(c4ccccc4Cl)CC3)ccc21 ZINC000455926815 822750788 /nfs/dbraw/zinc/75/07/88/822750788.db2.gz NJQAUANPMWICDI-HXUWFJFHSA-N 1 0 398.938 4.243 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCC[C@@H](Nc4ccccc4)C3)ccc21 ZINC000455929982 822751431 /nfs/dbraw/zinc/75/14/31/822751431.db2.gz OOYAQNSAAOVBPY-IFMALSPDSA-N 1 0 378.520 4.344 20 0 GIADRO C[C@@H]1CN(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C[C@H](c2ccc(F)cc2)O1 ZINC000455929961 822751489 /nfs/dbraw/zinc/75/14/89/822751489.db2.gz ONDGBXDZMLCFSH-UJUVCNOISA-N 1 0 397.494 4.369 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)c1 ZINC000455931821 822751976 /nfs/dbraw/zinc/75/19/76/822751976.db2.gz PUXVVCQZYKNVBV-SPLOXXLWSA-N 1 0 380.492 4.077 20 0 GIADRO CC[C@H](NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)c1ccc2c(c1)OCCO2 ZINC000455935063 822752697 /nfs/dbraw/zinc/75/26/97/822752697.db2.gz RGDDHXJUYDXFTG-PMACEKPBSA-N 1 0 395.503 4.280 20 0 GIADRO CCCCOCCCNC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000455939772 822753644 /nfs/dbraw/zinc/75/36/44/822753644.db2.gz HGLYHUGKLVVTRF-UHFFFAOYSA-N 1 0 397.947 4.141 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N(Cc3ccco3)Cc3cccnc3)ccc21 ZINC000455939854 822753715 /nfs/dbraw/zinc/75/37/15/822753715.db2.gz TWLLRTNEDWOHSD-QFIPXVFZSA-N 1 0 390.487 4.458 20 0 GIADRO CC[C@@H]1[C@@H](C)CCN1C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000455941144 822754105 /nfs/dbraw/zinc/75/41/05/822754105.db2.gz IWMCSOXVNVOJQE-KBXCAEBGSA-N 1 0 379.932 4.465 20 0 GIADRO Cc1ccc([C@H](CNC(=O)[C@H](C)c2cn(C)c3ccccc23)[NH+]2CCCC2)o1 ZINC000185246467 822754269 /nfs/dbraw/zinc/75/42/69/822754269.db2.gz MOKGBKSQIJOHLW-UTKZUKDTSA-N 1 0 379.504 4.137 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)NCc1cccc(OC(F)F)c1 ZINC000051302436 822754998 /nfs/dbraw/zinc/75/49/98/822754998.db2.gz MJBXSUNSIWAULC-UHFFFAOYSA-N 1 0 391.462 4.129 20 0 GIADRO COc1cc(C)c([C@@H](C)NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)cc1OC ZINC000455945573 822755398 /nfs/dbraw/zinc/75/53/98/822755398.db2.gz WKINFMJNIBMMKO-FOIQADDNSA-N 1 0 397.519 4.444 20 0 GIADRO CC[NH+](CC)CCOc1ccc(NC(=O)N2C[C@H](C)C[C@@H]2c2cccnc2)cc1 ZINC000185257709 822755569 /nfs/dbraw/zinc/75/55/69/822755569.db2.gz XXNQQDWMZJOSSM-XMSQKQJNSA-N 1 0 396.535 4.417 20 0 GIADRO CC[C@]1(C)CCN(C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)C1 ZINC000455946348 822755750 /nfs/dbraw/zinc/75/57/50/822755750.db2.gz PVQZNPYZRFJZBT-HXUWFJFHSA-N 1 0 379.932 4.467 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCC[C@H]3c3ccc4c(c3)OCO4)ccc21 ZINC000455946669 822755784 /nfs/dbraw/zinc/75/57/84/822755784.db2.gz WZVHGRRPJNURIG-VQTJNVASSA-N 1 0 393.487 4.333 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCC1)Nc1cccc(C(F)(F)F)n1 ZINC000185269193 822757291 /nfs/dbraw/zinc/75/72/91/822757291.db2.gz YTCSDGZEHIUJKB-UHFFFAOYSA-N 1 0 378.398 4.018 20 0 GIADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000455963635 822757937 /nfs/dbraw/zinc/75/79/37/822757937.db2.gz BFJAMLAUULRTMD-XHDPSFHLSA-N 1 0 386.721 4.193 20 0 GIADRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)cc1Cl ZINC000185276054 822758255 /nfs/dbraw/zinc/75/82/55/822758255.db2.gz RAHMVNBBTVASJB-UHFFFAOYSA-N 1 0 377.897 4.091 20 0 GIADRO CC(C)CCc1ccc(NC(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)nc1 ZINC000455964634 822758279 /nfs/dbraw/zinc/75/82/79/822758279.db2.gz RTDCUIMQYMZLSX-GOSISDBHSA-N 1 0 395.551 4.412 20 0 GIADRO CCC(CC)C(=O)N1CCC([NH2+]C[C@@H](C)Cc2ccc(OC)c(F)c2)CC1 ZINC000185276666 822758400 /nfs/dbraw/zinc/75/84/00/822758400.db2.gz LYWHJVIEGRFEFT-INIZCTEOSA-N 1 0 378.532 4.030 20 0 GIADRO Fc1cc(C[NH2+][C@@H](Cc2ccccc2)c2ccccc2)cnc1N1CCOCC1 ZINC000185279703 822758687 /nfs/dbraw/zinc/75/86/87/822758687.db2.gz XSXBWTADFJBSKQ-QHCPKHFHSA-N 1 0 391.490 4.131 20 0 GIADRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCCN(Cc3cccs3)C2)cc1Cl ZINC000185282327 822759220 /nfs/dbraw/zinc/75/92/20/822759220.db2.gz VJRKHIDVHVNFPU-HNNXBMFYSA-N 1 0 379.913 4.312 20 0 GIADRO CC(C)(C)C[C@@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)c1ccccc1 ZINC000185292532 822760521 /nfs/dbraw/zinc/76/05/21/822760521.db2.gz OAOVQFDDXKZHTQ-OAQYLSRUSA-N 1 0 386.561 4.494 20 0 GIADRO C[C@H](c1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1)C(F)(F)F ZINC000455993313 822763076 /nfs/dbraw/zinc/76/30/76/822763076.db2.gz KZVUODUNWHMHAG-LJHODMEESA-N 1 0 380.454 4.441 20 0 GIADRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)C1=CC[C@@H](C)CC1 ZINC000455994893 822763517 /nfs/dbraw/zinc/76/35/17/822763517.db2.gz LURKXVVKDAUALZ-DYESRHJHSA-N 1 0 378.520 4.323 20 0 GIADRO CCN(CC)C(=O)c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)cc1 ZINC000185316007 822764614 /nfs/dbraw/zinc/76/46/14/822764614.db2.gz WBDXZQAQNYRNHC-UHFFFAOYSA-N 1 0 375.856 4.020 20 0 GIADRO O[C@H](c1ccccc1)C1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1 ZINC000051531243 822764571 /nfs/dbraw/zinc/76/45/71/822764571.db2.gz UOWCCTMBVRQQBZ-HXUWFJFHSA-N 1 0 383.517 4.176 20 0 GIADRO CC(C)[NH+]1CCC(N[C@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)CC1 ZINC000174294722 822765469 /nfs/dbraw/zinc/76/54/69/822765469.db2.gz VVAZUJBUDSEQAI-LJQANCHMSA-N 1 0 395.547 4.055 20 0 GIADRO CC(C)[NH+]1CCC(N[C@@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000174295083 822765622 /nfs/dbraw/zinc/76/56/22/822765622.db2.gz FDCRAFCLWURDGT-LBPRGKRZSA-N 1 0 391.865 4.148 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C)c1cccnc1)c1ccc(C(F)(F)F)cc1 ZINC000174295561 822765671 /nfs/dbraw/zinc/76/56/71/822765671.db2.gz RWMDLGGDNICOED-KXBFYZLASA-N 1 0 393.453 4.403 20 0 GIADRO Cc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c(C2CC2)n1 ZINC000456017310 822766913 /nfs/dbraw/zinc/76/69/13/822766913.db2.gz QFXTZPRFYWAQCP-FYYLOGMGSA-N 1 0 389.543 4.394 20 0 GIADRO CC[C@@H](C)n1ncc(C(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)c1C1CC1 ZINC000185332491 822767367 /nfs/dbraw/zinc/76/73/67/822767367.db2.gz LBGBNPUTEMWUTK-VGSWGCGISA-N 1 0 394.563 4.372 20 0 GIADRO CC[C@H](C)n1ncc(C(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)c1C1CC1 ZINC000185332540 822767420 /nfs/dbraw/zinc/76/74/20/822767420.db2.gz LBGBNPUTEMWUTK-HTAPYJJXSA-N 1 0 394.563 4.372 20 0 GIADRO C[N@H+](Cc1ccccn1)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)CC1 ZINC000456022374 822767716 /nfs/dbraw/zinc/76/77/16/822767716.db2.gz NGJGIARRMJIARQ-FDFHNCONSA-N 1 0 397.950 4.352 20 0 GIADRO Cc1ccc(C(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)c(C2CC2)n1 ZINC000456021575 822767753 /nfs/dbraw/zinc/76/77/53/822767753.db2.gz RTUPWDIZOFOGED-UHFFFAOYSA-N 1 0 378.520 4.041 20 0 GIADRO CC[NH+](CC)[C@H]1CCN([C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000174309717 822768778 /nfs/dbraw/zinc/76/87/78/822768778.db2.gz KOBSGEPJDYUFIT-JSGCOSHPSA-N 1 0 391.865 4.102 20 0 GIADRO C[NH+](C)CCOc1cccc(CNC(=O)Nc2cccc(CC(F)(F)F)c2)c1 ZINC000174309922 822769030 /nfs/dbraw/zinc/76/90/30/822769030.db2.gz VDDMSPOSXAJILF-UHFFFAOYSA-N 1 0 395.425 4.054 20 0 GIADRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)c1ccccc1C(F)(F)F)C1CC1 ZINC000185346421 822769253 /nfs/dbraw/zinc/76/92/53/822769253.db2.gz AKXCFBCVFVJDCE-IBGZPJMESA-N 1 0 376.422 4.346 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)N[C@@H](CCO)c1ccco1)C1CCCCC1 ZINC000185351166 822769778 /nfs/dbraw/zinc/76/97/78/822769778.db2.gz LOILPNHPVZVWBV-FQEVSTJZSA-N 1 0 385.508 4.289 20 0 GIADRO CC(=O)N1CC[C@H]([NH2+]Cc2cccc(Br)c2)c2ccc(F)cc2C1 ZINC000185360781 822771442 /nfs/dbraw/zinc/77/14/42/822771442.db2.gz UZQYHBJFIQUURP-IBGZPJMESA-N 1 0 391.284 4.171 20 0 GIADRO CC(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3ccccn3)c2)c2ccc(F)cc2C1 ZINC000185364513 822772432 /nfs/dbraw/zinc/77/24/32/822772432.db2.gz CIVZQFOORAGUQV-DEOSSOPVSA-N 1 0 389.474 4.471 20 0 GIADRO CCC(=O)Nc1ccc(Cl)c(NC(=O)NCCC[NH+](C(C)C)C(C)C)c1 ZINC000174355129 822776995 /nfs/dbraw/zinc/77/69/95/822776995.db2.gz XCKNAGAOFAJYMX-UHFFFAOYSA-N 1 0 382.936 4.319 20 0 GIADRO Cc1cc(C[NH2+][C@@H]2CCc3c2cccc3Br)ccc1-n1cncn1 ZINC000174358350 822777348 /nfs/dbraw/zinc/77/73/48/822777348.db2.gz NWLOXOIVZJMQCM-GOSISDBHSA-N 1 0 383.293 4.115 20 0 GIADRO C[C@H](CCNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000174361737 822777918 /nfs/dbraw/zinc/77/79/18/822777918.db2.gz UNJWVIUCPDYZBN-IIDMSEBBSA-N 1 0 385.474 4.323 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)cc1)C(=O)Nc1nc2ccccc2s1 ZINC000174367657 822778825 /nfs/dbraw/zinc/77/88/25/822778825.db2.gz RPGCINWBHTYLCR-GJZGRUSLSA-N 1 0 391.500 4.160 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1nc2ccccc2s1)c1ccc(-n2cccn2)cc1 ZINC000174367673 822778888 /nfs/dbraw/zinc/77/88/88/822778888.db2.gz RPGCINWBHTYLCR-CABCVRRESA-N 1 0 391.500 4.160 20 0 GIADRO O[C@H](C[NH2+]Cc1ccccc1N1CCOCC1)c1ccc(-c2ccccc2)cc1 ZINC000185423159 822781718 /nfs/dbraw/zinc/78/17/18/822781718.db2.gz LBZBJIFXPOTUGT-RUZDIDTESA-N 1 0 388.511 4.013 20 0 GIADRO C[NH+](C)Cc1ccc(C(=O)N2CCC(c3ccc(C(C)(C)C)cc3)CC2)cn1 ZINC000456137333 822783026 /nfs/dbraw/zinc/78/30/26/822783026.db2.gz JMFPJYWLLJCQOE-UHFFFAOYSA-N 1 0 379.548 4.461 20 0 GIADRO CCOCc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000051923763 822783115 /nfs/dbraw/zinc/78/31/15/822783115.db2.gz ZFGUCVAPZDXJBQ-HSZRJFAPSA-N 1 0 396.531 4.075 20 0 GIADRO CC(C)Oc1ccc2ccccc2c1CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000185437210 822783659 /nfs/dbraw/zinc/78/36/59/822783659.db2.gz FOQWHXOQKXECMG-PKOBYXMFSA-N 1 0 383.536 4.251 20 0 GIADRO CC(=O)Nc1ccc(C[NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)cc1 ZINC000174403731 822785369 /nfs/dbraw/zinc/78/53/69/822785369.db2.gz VAGNCMXLEPBPDT-FQEVSTJZSA-N 1 0 388.895 4.146 20 0 GIADRO C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)NC(C)(C)CCC[NH+](C)C ZINC000456171500 822786082 /nfs/dbraw/zinc/78/60/82/822786082.db2.gz OMEPCFUDZBAQHK-ZDUSSCGKSA-N 1 0 387.337 4.003 20 0 GIADRO CCOc1cc(C[NH2+][C@H](C)c2cc(Br)ccc2O)ccc1OC ZINC000185452501 822786261 /nfs/dbraw/zinc/78/62/61/822786261.db2.gz FVVIVBSGWIOHAC-GFCCVEGCSA-N 1 0 380.282 4.413 20 0 GIADRO COc1cc(C)c([C@@H](C)NC(=O)C[NH2+][C@H](c2ccccc2)C(C)C)cc1OC ZINC000052006337 822786310 /nfs/dbraw/zinc/78/63/10/822786310.db2.gz ATWJDZQVCUZBCW-HXOBKFHXSA-N 1 0 384.520 4.176 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCCC[C@@H]1O)c1ccc(Br)cc1Br ZINC000051998914 822786376 /nfs/dbraw/zinc/78/63/76/822786376.db2.gz QWRSOSHSXLBTIK-IIMNLJJBSA-N 1 0 377.120 4.166 20 0 GIADRO Cc1cc([C@@H]2CCC[N@@H+]2C[C@H](O)Cn2c3ccccc3c3ccccc32)on1 ZINC000052007809 822786477 /nfs/dbraw/zinc/78/64/77/822786477.db2.gz RKLMAGNTEJUGHC-JTSKRJEESA-N 1 0 375.472 4.289 20 0 GIADRO Cc1cc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2ccc(Br)cc2F)on1 ZINC000052010514 822786851 /nfs/dbraw/zinc/78/68/51/822786851.db2.gz LJRXRQLGGISFOS-HNNXBMFYSA-N 1 0 396.260 4.050 20 0 GIADRO CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1 ZINC000174414459 822786884 /nfs/dbraw/zinc/78/68/84/822786884.db2.gz RLQLBMFNMCZRFI-HZPDHXFCSA-N 1 0 392.544 4.124 20 0 GIADRO C[C@@H](CCNC(=O)c1cccnc1SC(F)F)[N@H+](C)Cc1ccccc1 ZINC000174418920 822787454 /nfs/dbraw/zinc/78/74/54/822787454.db2.gz PJSMTFHMLWEGPE-AWEZNQCLSA-N 1 0 379.476 4.037 20 0 GIADRO CC(C)Oc1ccc([C@H](O)C[NH2+][C@@H](C)c2cc(Br)ccc2O)cc1 ZINC000185469990 822787798 /nfs/dbraw/zinc/78/77/98/822787798.db2.gz DPMURYLMQISPBR-ORAYPTAESA-N 1 0 394.309 4.326 20 0 GIADRO C[C@H](Sc1ccc(Br)cc1)C(=O)NC(C)(C)CCC[NH+](C)C ZINC000456199885 822787841 /nfs/dbraw/zinc/78/78/41/822787841.db2.gz KXXDPHQTHZPGTB-ZDUSSCGKSA-N 1 0 387.387 4.166 20 0 GIADRO Fc1ccc(C2([NH2+]Cc3ccc(Oc4cnccn4)cc3)CCOCC2)cc1 ZINC000174424896 822788282 /nfs/dbraw/zinc/78/82/82/822788282.db2.gz HWIUXUQTDWTHAL-UHFFFAOYSA-N 1 0 379.435 4.204 20 0 GIADRO CC[N@H+](CCC(=O)Nc1cc(Cl)ccc1OC)Cc1ccc(OC)cc1 ZINC000052039790 822788889 /nfs/dbraw/zinc/78/88/89/822788889.db2.gz RIWWETPUTYGQTO-UHFFFAOYSA-N 1 0 376.884 4.208 20 0 GIADRO C[C@H]1CCN(Cc2nnc(-c3cccc(Cl)c3)o2)CC[N@@H+]1Cc1ccccc1 ZINC000174432449 822789370 /nfs/dbraw/zinc/78/93/70/822789370.db2.gz GHTSLVFIAMAGJP-KRWDZBQOSA-N 1 0 396.922 4.486 20 0 GIADRO C[C@H]1CCN(Cc2ccc(C(=O)N3CCCC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000174434787 822789643 /nfs/dbraw/zinc/78/96/43/822789643.db2.gz GIBLKVCZZIFBAW-NRFANRHFSA-N 1 0 391.559 4.019 20 0 GIADRO CCSc1cccc(C[NH2+]Cc2ccc(S(=O)(=O)N(C)C(C)C)cc2)c1 ZINC000185490433 822790106 /nfs/dbraw/zinc/79/01/06/822790106.db2.gz OVJSGCJCUSSARN-UHFFFAOYSA-N 1 0 392.590 4.117 20 0 GIADRO CCSc1cccc(C[NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)c1 ZINC000185491038 822790184 /nfs/dbraw/zinc/79/01/84/822790184.db2.gz HEGSWGUUBLDGEP-QZTJIDSGSA-N 1 0 398.572 4.338 20 0 GIADRO CCOc1ccc(C(=O)CCC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)cc1 ZINC000456257290 822790776 /nfs/dbraw/zinc/79/07/76/822790776.db2.gz DVLUTNMFKHAQDT-OAQYLSRUSA-N 1 0 380.488 4.236 20 0 GIADRO Cc1nccn1CC[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccc(C)c1 ZINC000052120027 822790989 /nfs/dbraw/zinc/79/09/89/822790989.db2.gz GGAGNGOVWPXAIM-UHFFFAOYSA-N 1 0 385.515 4.202 20 0 GIADRO COc1ccc(SC)c(OC)c1C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000456260122 822791086 /nfs/dbraw/zinc/79/10/86/822791086.db2.gz FEZVPPNHFCTADX-INIZCTEOSA-N 1 0 386.517 4.227 20 0 GIADRO COCCn1cc(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)c2ccccc21 ZINC000456266415 822791847 /nfs/dbraw/zinc/79/18/47/822791847.db2.gz IEQYRXZEDZCSRG-OAQYLSRUSA-N 1 0 377.488 4.089 20 0 GIADRO Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+]CCCCn1ccnc1C ZINC000174453207 822791885 /nfs/dbraw/zinc/79/18/85/822791885.db2.gz RJMSSBMADCUTCJ-UHFFFAOYSA-N 1 0 375.879 4.048 20 0 GIADRO Cc1nccn1CCCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000174452916 822791894 /nfs/dbraw/zinc/79/18/94/822791894.db2.gz VUHYCTVLRXDHGZ-UHFFFAOYSA-N 1 0 386.503 4.009 20 0 GIADRO Cc1nccn1CCCC[NH2+]Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000174453117 822791903 /nfs/dbraw/zinc/79/19/03/822791903.db2.gz IDPXWWAWOPMLFJ-UHFFFAOYSA-N 1 0 390.940 4.450 20 0 GIADRO C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)cc1 ZINC000456267361 822791927 /nfs/dbraw/zinc/79/19/27/822791927.db2.gz IVIKHIUUYATREG-XMDBHEJHSA-N 1 0 377.488 4.082 20 0 GIADRO Cc1csc([C@@H](NC(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)C2CC2)n1 ZINC000174453274 822791951 /nfs/dbraw/zinc/79/19/51/822791951.db2.gz ZUYAIZCELLYGBU-PMACEKPBSA-N 1 0 398.576 4.347 20 0 GIADRO Cc1cc(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)c2cnn(C(C)C)c2n1 ZINC000456268222 822791959 /nfs/dbraw/zinc/79/19/59/822791959.db2.gz IYBPVDLHWIESBP-FQEVSTJZSA-N 1 0 377.492 4.122 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)c3ccc(Br)cc3F)ccc21 ZINC000456270241 822792150 /nfs/dbraw/zinc/79/21/50/822792150.db2.gz KBNWECALFHWZJS-KRWDZBQOSA-N 1 0 377.257 4.389 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)Cc3ccc(F)c(Br)c3)ccc21 ZINC000456272124 822792389 /nfs/dbraw/zinc/79/23/89/822792389.db2.gz LDBYTOTVJLFXRS-GOSISDBHSA-N 1 0 391.284 4.318 20 0 GIADRO c1csc(-c2nn(-c3ccccc3)cc2C[NH2+]CCCOC2CCOCC2)c1 ZINC000174462630 822793474 /nfs/dbraw/zinc/79/34/74/822793474.db2.gz SJRNMUGTIHNHKB-UHFFFAOYSA-N 1 0 397.544 4.276 20 0 GIADRO Cc1cc(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)c(C)n1-c1nccs1 ZINC000456280038 822793494 /nfs/dbraw/zinc/79/34/94/822793494.db2.gz QBWWDRDFWAIESB-LJQANCHMSA-N 1 0 380.517 4.352 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)Cc3ccc(Br)s3)ccc21 ZINC000456281361 822793652 /nfs/dbraw/zinc/79/36/52/822793652.db2.gz RAWLEFSHAPBIBW-HNNXBMFYSA-N 1 0 379.323 4.241 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)CN[C@@H](c3ccccc3)C(F)(F)F)ccc21 ZINC000456282029 822793745 /nfs/dbraw/zinc/79/37/45/822793745.db2.gz RYKDMMJWLVGUOF-QUCCMNQESA-N 1 0 391.437 4.067 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)CCC(=O)CCC(=O)c3cccs3)ccc21 ZINC000456284191 822794126 /nfs/dbraw/zinc/79/41/26/822794126.db2.gz TUVVUTMPWDGPEC-IBGZPJMESA-N 1 0 398.528 4.248 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cccnc2Sc2ccc(C)cc2C)C1 ZINC000174466924 822794254 /nfs/dbraw/zinc/79/42/54/822794254.db2.gz HCXNRGAPRHZICX-SFHVURJKSA-N 1 0 383.561 4.263 20 0 GIADRO CC(C)(C)n1cc(C[NH2+]C2(c3ccc(Br)cc3)CCOCC2)cn1 ZINC000174470514 822794538 /nfs/dbraw/zinc/79/45/38/822794538.db2.gz KPQQNEBKRBPITQ-UHFFFAOYSA-N 1 0 392.341 4.196 20 0 GIADRO COc1ccc(COCCCC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)cc1 ZINC000456289739 822794726 /nfs/dbraw/zinc/79/47/26/822794726.db2.gz XXDRBXASKFYKTC-QFIPXVFZSA-N 1 0 382.504 4.180 20 0 GIADRO Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000456291185 822794914 /nfs/dbraw/zinc/79/49/14/822794914.db2.gz YVLCZMAYIKDQFQ-NRFANRHFSA-N 1 0 392.478 4.429 20 0 GIADRO COc1ccc(-c2nc(C[NH2+][C@H](C)[C@@H]3COc4ccccc43)cs2)c(OC)c1 ZINC000185546028 822795275 /nfs/dbraw/zinc/79/52/75/822795275.db2.gz VIMCRUSUAKJLBZ-KUHUBIRLSA-N 1 0 396.512 4.482 20 0 GIADRO CO[C@@]1(C)C[C@H](N(C)Cc2nnc(-c3ccccc3Br)o2)C1(C)C ZINC000174482273 822795384 /nfs/dbraw/zinc/79/53/84/822795384.db2.gz VWRUGQPXFHGQIH-KSSFIOAISA-N 1 0 394.313 4.135 20 0 GIADRO COC(=O)c1ccc(-c2nc(C[NH2+][C@@H](C)[C@@H]3COc4ccccc43)cs2)cc1 ZINC000185552651 822795851 /nfs/dbraw/zinc/79/58/51/822795851.db2.gz QHMIAHFJBMMCSW-LIRRHRJNSA-N 1 0 394.496 4.251 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2sc(-c3cccc(Cl)c3)nc2C)C1 ZINC000174487174 822795998 /nfs/dbraw/zinc/79/59/98/822795998.db2.gz AXNYLTRJEJQGAY-AWEZNQCLSA-N 1 0 377.941 4.186 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cccc(OCc3cccc(Cl)c3)c2)C1 ZINC000174490524 822796221 /nfs/dbraw/zinc/79/62/21/822796221.db2.gz JQMSKYQUMDFCDO-GOSISDBHSA-N 1 0 386.923 4.333 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(-c3ccc(F)cc3)nc3ccccc32)C1 ZINC000174494012 822796564 /nfs/dbraw/zinc/79/65/64/822796564.db2.gz LUVWKSDGYLKMHT-QGZVFWFLSA-N 1 0 391.490 4.455 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)c3c[nH]c4ncc(Br)cc34)ccc21 ZINC000456311078 822797219 /nfs/dbraw/zinc/79/72/19/822797219.db2.gz KLAZVTPELSNZKU-KRWDZBQOSA-N 1 0 399.292 4.127 20 0 GIADRO 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 822798568 /nfs/dbraw/zinc/79/85/68/822798568.db2.gz DDWLLDXPUQAYAG-PHSGOXPASA-N 1 0 382.470 4.074 20 0 GIADRO C[C@H]1CN(C(=O)c2ccc([C@@H]3CCCOC3)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000456328955 822798971 /nfs/dbraw/zinc/79/89/71/822798971.db2.gz IHXXYTXCBUOMQY-HYBUGGRVSA-N 1 0 392.543 4.175 20 0 GIADRO COc1cccc([C@H]2CCC[N@@H+]2CC(=O)N(C)[C@@H](C)c2ccccc2OC)c1 ZINC000052429974 822799332 /nfs/dbraw/zinc/79/93/32/822799332.db2.gz ZUIHLSCSIHOMFG-LAUBAEHRSA-N 1 0 382.504 4.060 20 0 GIADRO CCOc1ccc([C@H](C)NC(=O)C[N@@H+]2CCC[C@@H]2c2ccccc2)cc1OC ZINC000052432007 822799495 /nfs/dbraw/zinc/79/94/95/822799495.db2.gz FYAUAWSQFZLBKF-FXAWDEMLSA-N 1 0 382.504 4.108 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000174519663 822800102 /nfs/dbraw/zinc/80/01/02/822800102.db2.gz IUTNRABFTQTJSR-INIZCTEOSA-N 1 0 387.524 4.206 20 0 GIADRO CCCC[NH+]1CCC(NC(=O)N[C@H](CC)c2nc(C(F)(F)F)cs2)CC1 ZINC000174526203 822801072 /nfs/dbraw/zinc/80/10/72/822801072.db2.gz ZERTXUSGRQOXMS-CYBMUJFWSA-N 1 0 392.491 4.177 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1nnc(-c2ccsc2)s1 ZINC000052496141 822801637 /nfs/dbraw/zinc/80/16/37/822801637.db2.gz KPEIIBFYWQSNGC-CYBMUJFWSA-N 1 0 379.555 4.043 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCC1)Nc1nnc(-c2ccsc2)s1 ZINC000052496664 822801701 /nfs/dbraw/zinc/80/17/01/822801701.db2.gz JQMLJUOWEJEADF-UHFFFAOYSA-N 1 0 399.545 4.184 20 0 GIADRO COc1cc(-c2ccccc2)sc1C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174530460 822801798 /nfs/dbraw/zinc/80/17/98/822801798.db2.gz CUJLRRNYYWUXKU-QGZVFWFLSA-N 1 0 384.545 4.372 20 0 GIADRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1ccc(SCc2csc(C)n2)cc1 ZINC000456361985 822802164 /nfs/dbraw/zinc/80/21/64/822802164.db2.gz WJAVOZCQIZFQGM-GOSISDBHSA-N 1 0 389.590 4.300 20 0 GIADRO O=C(c1[nH]c2ccc(Cl)cc2c1Cl)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000174539011 822802735 /nfs/dbraw/zinc/80/27/35/822802735.db2.gz BRCCLMDGMCNVSK-ZDUSSCGKSA-N 1 0 380.319 4.423 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2sc(-c3ccc(Cl)cc3)nc2C)C1 ZINC000174537893 822802798 /nfs/dbraw/zinc/80/27/98/822802798.db2.gz RIFXRROBEJCCHC-AWEZNQCLSA-N 1 0 377.941 4.186 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1c(C)nc(C2CC2)nc1SC ZINC000174541169 822802896 /nfs/dbraw/zinc/80/28/96/822802896.db2.gz BDJCCZPMHOYECS-UHFFFAOYSA-N 1 0 398.576 4.108 20 0 GIADRO CCc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2c(C)nn(CC(F)(F)F)c2C)cc1 ZINC000185619014 822802958 /nfs/dbraw/zinc/80/29/58/822802958.db2.gz MWYCYNVTGNRMIN-TZMCWYRMSA-N 1 0 396.457 4.302 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C[C@H](C)C(=O)c1cccc(F)c1 ZINC000174541501 822803033 /nfs/dbraw/zinc/80/30/33/822803033.db2.gz JINKZYUAZMJJJU-KRWDZBQOSA-N 1 0 384.495 4.145 20 0 GIADRO CC(C)n1cnnc1[C@@H]1CCC[N@H+](CCOc2ccccc2C(F)(F)F)C1 ZINC000174552430 822804072 /nfs/dbraw/zinc/80/40/72/822804072.db2.gz GDGUBYBDCYJRQU-OAHLLOKOSA-N 1 0 382.430 4.136 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]CC(=O)Nc1ccccc1C(C)C ZINC000185631670 822804487 /nfs/dbraw/zinc/80/44/87/822804487.db2.gz VLUMLYJGOPNXKT-ZDUSSCGKSA-N 1 0 396.457 4.475 20 0 GIADRO O=C(C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1)N(Cc1ccccc1)C1CC1 ZINC000052612492 822805099 /nfs/dbraw/zinc/80/50/99/822805099.db2.gz AGJFNESCALALPL-IBGZPJMESA-N 1 0 389.499 4.198 20 0 GIADRO CSC1(C[NH2+]Cc2cc(C)c(OCc3ccccn3)c(C)c2)CCOCC1 ZINC000174564031 822805594 /nfs/dbraw/zinc/80/55/94/822805594.db2.gz MZHZTMBAQXIBNI-UHFFFAOYSA-N 1 0 386.561 4.279 20 0 GIADRO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000174566129 822805648 /nfs/dbraw/zinc/80/56/48/822805648.db2.gz VPBHQYGVCNKBNA-GJZGRUSLSA-N 1 0 385.335 4.095 20 0 GIADRO O=C(c1cc(-c2ccco2)nc2ccccc21)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174566454 822805695 /nfs/dbraw/zinc/80/56/95/822805695.db2.gz VWKVORSELJQRCL-GOSISDBHSA-N 1 0 389.499 4.443 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1Cc1ccccc1)[C@@H]1COc2ccccc21 ZINC000185645052 822806005 /nfs/dbraw/zinc/80/60/05/822806005.db2.gz SPZHOMRFMZVTAD-GCJKJVERSA-N 1 0 386.495 4.370 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)Nc2cc(Cl)ccc2N2CCCCC2)CC[N@@H+]1C ZINC000174568421 822806111 /nfs/dbraw/zinc/80/61/11/822806111.db2.gz CRLCJCBVUNWDMI-DOTOQJQBSA-N 1 0 378.948 4.277 20 0 GIADRO Cc1nn(-c2ccc(Cl)c(Cl)c2)c(NC(=O)N(C)CCC[NH+](C)C)c1C ZINC000185645534 822806240 /nfs/dbraw/zinc/80/62/40/822806240.db2.gz IYFKJUBEUHDTHS-UHFFFAOYSA-N 1 0 398.338 4.211 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(OC)cc2)cc1OCC ZINC000052659810 822806601 /nfs/dbraw/zinc/80/66/01/822806601.db2.gz QGXTWYOBSZHBFV-HOTGVXAUSA-N 1 0 386.492 4.170 20 0 GIADRO Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C[NH+](C)C)c(Br)c1 ZINC000052666370 822806945 /nfs/dbraw/zinc/80/69/45/822806945.db2.gz RTCFPPRKOVMFJL-AWEZNQCLSA-N 1 0 391.309 4.225 20 0 GIADRO COc1ccc(OCCC[NH2+][C@H](C)c2c(C)nn(CC(F)(F)F)c2C)cc1 ZINC000185653742 822807122 /nfs/dbraw/zinc/80/71/22/822807122.db2.gz CODRKKYMBUQHCO-CYBMUJFWSA-N 1 0 385.430 4.191 20 0 GIADRO C[C@@H]([NH2+]Cc1ccccc1N1CCCCC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000174579830 822807746 /nfs/dbraw/zinc/80/77/46/822807746.db2.gz UYWDXNWHSLFFFU-MRXNPFEDSA-N 1 0 390.524 4.070 20 0 GIADRO C[C@@H](NCC(=O)N(Cc1ccccc1)C(C)(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185663374 822808147 /nfs/dbraw/zinc/80/81/47/822808147.db2.gz PLGIATJFHKNLQM-TZIWHRDSSA-N 1 0 385.596 4.056 20 0 GIADRO COC(=O)COc1ccc([C@@H](C)[NH2+]Cc2c(C)cc(C)c(C(C)=O)c2C)cc1 ZINC000185666851 822808265 /nfs/dbraw/zinc/80/82/65/822808265.db2.gz STYKKXLNPSPBDQ-QGZVFWFLSA-N 1 0 383.488 4.217 20 0 GIADRO CCCCCNC(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2cccc3ccccc32)CC1 ZINC000052721712 822808489 /nfs/dbraw/zinc/80/84/89/822808489.db2.gz WEHBJTHYSDVFIN-SFHVURJKSA-N 1 0 395.547 4.185 20 0 GIADRO C[C@@H](NCC(=O)N(Cc1ccco1)c1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185675531 822809023 /nfs/dbraw/zinc/80/90/23/822809023.db2.gz QJBMFTWZAKTGJO-WOJBJXKFSA-N 1 0 395.547 4.055 20 0 GIADRO C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1C(F)(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185677998 822809141 /nfs/dbraw/zinc/80/91/41/822809141.db2.gz URZOVTGVGAFFBK-PMPSAXMXSA-N 1 0 397.485 4.275 20 0 GIADRO Cc1nc(COc2ccc(C[NH2+]CCc3c[nH]c4ccc(Cl)cc34)cc2)no1 ZINC000174592634 822809271 /nfs/dbraw/zinc/80/92/71/822809271.db2.gz ZKOVMIQHWXHBTL-UHFFFAOYSA-N 1 0 396.878 4.424 20 0 GIADRO COCCOc1cc(C)ccc1C[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000185682105 822809505 /nfs/dbraw/zinc/80/95/05/822809505.db2.gz XSEMDLINDPLNSR-AWEZNQCLSA-N 1 0 394.309 4.339 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)NCc1ccc(C(F)F)cc1 ZINC000185693649 822810768 /nfs/dbraw/zinc/81/07/68/822810768.db2.gz HMUOJCUPDYLTFN-UHFFFAOYSA-N 1 0 397.416 4.176 20 0 GIADRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)NCc1ccc(C(F)F)cc1 ZINC000185694582 822810817 /nfs/dbraw/zinc/81/08/17/822810817.db2.gz VFADJROXVJZEDN-UHFFFAOYSA-N 1 0 379.426 4.037 20 0 GIADRO COc1ccc(C[NH2+]C[C@H](C)Oc2ccc(F)cc2)cc1OCc1cccnc1 ZINC000174603073 822810882 /nfs/dbraw/zinc/81/08/82/822810882.db2.gz NIPJCQBLFCRCKD-KRWDZBQOSA-N 1 0 396.462 4.365 20 0 GIADRO C[C@@H](NCC(=O)Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185697264 822811060 /nfs/dbraw/zinc/81/10/60/822811060.db2.gz ILCKMSXDXOZIEL-ZIAGYGMSSA-N 1 0 384.351 4.175 20 0 GIADRO CC(C)[C@H](NC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)c1nc2ccccc2[nH]1 ZINC000052807842 822811633 /nfs/dbraw/zinc/81/16/33/822811633.db2.gz WQPUONRKBLAHNU-PXNSSMCTSA-N 1 0 385.556 4.214 20 0 GIADRO CCSCC[C@@H](C)N(C)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000174607278 822811777 /nfs/dbraw/zinc/81/17/77/822811777.db2.gz YNIFMTMIPGNYOH-GOSISDBHSA-N 1 0 392.613 4.132 20 0 GIADRO Cc1ccc2[nH]cc(CCC(=O)NC[C@H]3CC[N@H+](CCc4ccccc4)C3)c2c1 ZINC000174612774 822812557 /nfs/dbraw/zinc/81/25/57/822812557.db2.gz DNNHKRJSVMDTSE-OAQYLSRUSA-N 1 0 389.543 4.090 20 0 GIADRO CCc1cnc(CC[NH2+]Cc2ccc(OC)c(OCc3cccnc3)c2)s1 ZINC000174624347 822814065 /nfs/dbraw/zinc/81/40/65/822814065.db2.gz PUPGRSSRUSBHDW-UHFFFAOYSA-N 1 0 383.517 4.020 20 0 GIADRO COc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H](OC(C)C)c2ccccc2OC)cc1 ZINC000185724812 822814768 /nfs/dbraw/zinc/81/47/68/822814768.db2.gz VLQOWCLURVQSAE-JOCHJYFZSA-N 1 0 395.503 4.350 20 0 GIADRO CCOc1ccc(NC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000174631732 822814806 /nfs/dbraw/zinc/81/48/06/822814806.db2.gz JFTGFVSNZKSYRA-LJQANCHMSA-N 1 0 397.519 4.080 20 0 GIADRO C[C@H](NCc1coc(-c2c(F)cccc2F)n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185730346 822815531 /nfs/dbraw/zinc/81/55/31/822815531.db2.gz MPHPEQOEGVBOMZ-LSDHHAIUSA-N 1 0 375.463 4.362 20 0 GIADRO CS(=O)(=O)c1cccc([C@H]([NH2+]C2CCSCC2)c2ccc(Cl)cc2)c1 ZINC000174635721 822815709 /nfs/dbraw/zinc/81/57/09/822815709.db2.gz BMGUFSQULIRMMX-LJQANCHMSA-N 1 0 395.977 4.318 20 0 GIADRO COc1cc(OC)c(OC)cc1C[NH2+]Cc1ccc(-c2csc(C)n2)cc1 ZINC000052916022 822815758 /nfs/dbraw/zinc/81/57/58/822815758.db2.gz FCLYMZCEISLWHO-UHFFFAOYSA-N 1 0 384.501 4.434 20 0 GIADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2sccc2C(C)C)cc1 ZINC000052934423 822816161 /nfs/dbraw/zinc/81/61/61/822816161.db2.gz XLIMILHJHMRMOP-UHFFFAOYSA-N 1 0 387.549 4.195 20 0 GIADRO C[C@H](NCC(=O)N[C@@H](c1cccs1)C(C)(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185740240 822816520 /nfs/dbraw/zinc/81/65/20/822816520.db2.gz WWMDYPQCPXLIHA-FVJLSDCUSA-N 1 0 391.625 4.194 20 0 GIADRO Cc1cc(C(=O)NC(C)(C)CC[NH+]2CCCCCC2)c(C)n1Cc1ccccn1 ZINC000185751906 822817692 /nfs/dbraw/zinc/81/76/92/822817692.db2.gz TUQPLXSWGKBTAO-UHFFFAOYSA-N 1 0 396.579 4.323 20 0 GIADRO CCC(C)(C)NC(=O)[C@@H](C)[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000052993762 822817923 /nfs/dbraw/zinc/81/79/23/822817923.db2.gz NXSFUCFJFIJYCQ-CYBMUJFWSA-N 1 0 377.916 4.354 20 0 GIADRO CCC(C)(C)NC(=O)[C@H](C)[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000052993763 822818020 /nfs/dbraw/zinc/81/80/20/822818020.db2.gz NXSFUCFJFIJYCQ-ZDUSSCGKSA-N 1 0 377.916 4.354 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@H+](C)Cc2cccc3ccccc32)c1 ZINC000053017344 822818687 /nfs/dbraw/zinc/81/86/87/822818687.db2.gz BLOCIYWCBGAOGR-INIZCTEOSA-N 1 0 375.472 4.257 20 0 GIADRO Cc1ccc(OC2CC[NH+](Cc3cc(=O)n4cc(Cl)ccc4n3)CC2)cc1C ZINC000053016272 822818702 /nfs/dbraw/zinc/81/87/02/822818702.db2.gz IWTDRUAEYPWTAP-UHFFFAOYSA-N 1 0 397.906 4.008 20 0 GIADRO Nc1c(Br)cc(Br)cc1C[NH2+]Cc1cccc(F)c1 ZINC000185765385 822819156 /nfs/dbraw/zinc/81/91/56/822819156.db2.gz OJGQGJHQNSYVGK-UHFFFAOYSA-N 1 0 388.078 4.223 20 0 GIADRO Cc1cc(C)cc(OCc2noc(CN[C@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)n2)c1 ZINC000185767857 822819409 /nfs/dbraw/zinc/81/94/09/822819409.db2.gz YVNWCZCNDOAZSN-RTBURBONSA-N 1 0 398.551 4.008 20 0 GIADRO CCC[N@H+](CC)CCNC(=O)c1ccccc1SCc1c(C)noc1C ZINC000174660112 822819830 /nfs/dbraw/zinc/81/98/30/822819830.db2.gz GGJVERDLWIEWBR-UHFFFAOYSA-N 1 0 375.538 4.045 20 0 GIADRO Cc1ccc(OCc2ccc(C(=O)N3CCC([NH+]4CCCC4)CC3)o2)c(C)c1 ZINC000053080666 822820712 /nfs/dbraw/zinc/82/07/12/822820712.db2.gz FKAZNVUNMIEVOD-UHFFFAOYSA-N 1 0 382.504 4.176 20 0 GIADRO COc1ccc(C[N@H+](Cc2cc(=O)n3cc(Cl)ccc3n2)[C@@H](C)C2CC2)cc1 ZINC000053097720 822821523 /nfs/dbraw/zinc/82/15/23/822821523.db2.gz HUZIHCXILFJMEW-HNNXBMFYSA-N 1 0 397.906 4.157 20 0 GIADRO C[N@H+](Cc1nnc(-c2ccc(Cl)cc2)o1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000174676905 822822084 /nfs/dbraw/zinc/82/20/84/822822084.db2.gz KWTGPLNPNRNOHC-LJQANCHMSA-N 1 0 382.895 4.491 20 0 GIADRO CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)CCc2nnc(-c3ccccc3)o2)CC1 ZINC000456684542 822822410 /nfs/dbraw/zinc/82/24/10/822822410.db2.gz CHJSUAXFXHHYDR-UHFFFAOYSA-N 1 0 398.551 4.028 20 0 GIADRO CCCn1c(C)c(C(=O)NC2CC[NH+](C3CCC3)CC2)c2cc(OC)ccc21 ZINC000456696150 822823723 /nfs/dbraw/zinc/82/37/23/822823723.db2.gz JPHHGJSDTBJWJV-UHFFFAOYSA-N 1 0 383.536 4.115 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1cc(Cl)ccc1Cl ZINC000185819708 822824112 /nfs/dbraw/zinc/82/41/12/822824112.db2.gz VMJFGSGTRPJQCI-CYBMUJFWSA-N 1 0 399.343 4.384 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1cccc2ccccc21 ZINC000185819483 822824180 /nfs/dbraw/zinc/82/41/80/822824180.db2.gz SLLVPVJQDSSOJL-QGZVFWFLSA-N 1 0 380.513 4.231 20 0 GIADRO C[C@H](c1ccccc1C(F)(F)F)[C@H](C)[NH2+]Cc1nc2ccccc2c(=O)n1C ZINC000185824141 822824727 /nfs/dbraw/zinc/82/47/27/822824727.db2.gz JIUPUWFHLYSDMY-KBPBESRZSA-N 1 0 389.421 4.234 20 0 GIADRO Cc1cc(C)nc(SCC(=O)Nc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)n1 ZINC000053190160 822825610 /nfs/dbraw/zinc/82/56/10/822825610.db2.gz PAZWHBDGJJXEAB-HNNXBMFYSA-N 1 0 384.549 4.056 20 0 GIADRO C[NH+](C)Cc1cccc(C(=O)Nc2ccccc2-c2nnc(-c3ccccc3)[nH]2)c1 ZINC000174704556 822825806 /nfs/dbraw/zinc/82/58/06/822825806.db2.gz HRTIASBKTBCXHB-UHFFFAOYSA-N 1 0 397.482 4.453 20 0 GIADRO Cc1nc(-c2cccs2)sc1C(=O)N(CC(C)C)C1CC[NH+](C)CC1 ZINC000053223278 822826626 /nfs/dbraw/zinc/82/66/26/822826626.db2.gz QQAJXBIQRZJGCI-UHFFFAOYSA-N 1 0 377.579 4.372 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1C(=O)N(CC(C)C)C1CC[NH+](C)CC1 ZINC000053222536 822826653 /nfs/dbraw/zinc/82/66/53/822826653.db2.gz OKPLZUAMRVMFOI-UHFFFAOYSA-N 1 0 389.540 4.450 20 0 GIADRO COc1ccc([C@H](CNC(=O)Nc2ccccc2SC)[NH+]2CCCC2)cc1 ZINC000053246453 822827676 /nfs/dbraw/zinc/82/76/76/822827676.db2.gz VRGHSUQUNUTPCY-IBGZPJMESA-N 1 0 385.533 4.376 20 0 GIADRO CCC(CC)(C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccccc1 ZINC000174718461 822828000 /nfs/dbraw/zinc/82/80/00/822828000.db2.gz DNWOBZSEOOCQRN-UHFFFAOYSA-N 1 0 394.559 4.018 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)c1ccc2scc(Br)c2c1 ZINC000456740285 822828469 /nfs/dbraw/zinc/82/84/69/822828469.db2.gz VKTUIDAUNAAXHT-UHFFFAOYSA-N 1 0 393.350 4.411 20 0 GIADRO COCc1c(C(=O)NCCC[NH+]2CCCCCC2)sc2cccc(F)c21 ZINC000053271518 822828671 /nfs/dbraw/zinc/82/86/71/822828671.db2.gz XZNQKQMNCWVGPU-UHFFFAOYSA-N 1 0 378.513 4.183 20 0 GIADRO COc1ccc([C@@H](C[NH2+][C@H](C)c2cc(Cl)ccc2O)N(C)C)cc1OC ZINC000185874033 822829048 /nfs/dbraw/zinc/82/90/48/822829048.db2.gz FJQUFUVHDYNPCZ-CXAGYDPISA-N 1 0 378.900 4.016 20 0 GIADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2cccc(NC(=O)c3ccco3)c2)C1 ZINC000053304923 822829612 /nfs/dbraw/zinc/82/96/12/822829612.db2.gz BJIXIPFRRAWRJF-IAGOWNOFSA-N 1 0 397.519 4.018 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)NCC(C)(C)c2c(Cl)cccc2Cl)CC[N@@H+]1C ZINC000174732655 822829920 /nfs/dbraw/zinc/82/99/20/822829920.db2.gz YJUXJBHGMNYAAO-ZIAGYGMSSA-N 1 0 386.367 4.395 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)Cc2cccc(F)c2)CC1 ZINC000456777094 822830309 /nfs/dbraw/zinc/83/03/09/822830309.db2.gz FOWWDGOTVWAJAA-UHFFFAOYSA-N 1 0 376.859 4.133 20 0 GIADRO CC(C)[NH+]1CCC(C(=O)NC[C@@H](C)Sc2ccc(Br)cc2)CC1 ZINC000174741742 822831073 /nfs/dbraw/zinc/83/10/73/822831073.db2.gz BUZFMTBGZKGGKT-CQSZACIVSA-N 1 0 399.398 4.166 20 0 GIADRO Cc1ccc(F)c(CC(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)c1 ZINC000456789050 822831091 /nfs/dbraw/zinc/83/10/91/822831091.db2.gz IKXVMMGLKKJWDR-UHFFFAOYSA-N 1 0 390.886 4.442 20 0 GIADRO CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)c2cccc(C[NH+](C)C)c2)c1 ZINC000174743829 822831371 /nfs/dbraw/zinc/83/13/71/822831371.db2.gz AVVMQOXMLPOIGM-UHFFFAOYSA-N 1 0 387.911 4.134 20 0 GIADRO COc1ccccc1C[C@@H]([NH2+]CC(=O)Nc1ccccc1OC(F)F)C(C)C ZINC000185902166 822831702 /nfs/dbraw/zinc/83/17/02/822831702.db2.gz RVEVRQSUTXJRRS-QGZVFWFLSA-N 1 0 392.446 4.092 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)c2cc(F)c(F)c(F)c2)CC1 ZINC000456794607 822831870 /nfs/dbraw/zinc/83/18/70/822831870.db2.gz RTJYVEQMBROAER-UHFFFAOYSA-N 1 0 398.812 4.483 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)Cc2c(F)cccc2F)CC1 ZINC000456796819 822831991 /nfs/dbraw/zinc/83/19/91/822831991.db2.gz WESQBEYRRMBEKP-UHFFFAOYSA-N 1 0 394.849 4.272 20 0 GIADRO Cc1cc2c(cc1C)[C@H](C(=O)NC1CC[NH+]([C@H](C)c3ccccc3)CC1)CO2 ZINC000185905573 822832019 /nfs/dbraw/zinc/83/20/19/822832019.db2.gz WSHWPLOMWURLKT-XMSQKQJNSA-N 1 0 378.516 4.121 20 0 GIADRO CO[C@H](CNC(=O)c1oc2ccccc2c1C[NH+](C)C)c1cccc(Cl)c1 ZINC000174753541 822832670 /nfs/dbraw/zinc/83/26/70/822832670.db2.gz ZSTYGXAPURMREX-LJQANCHMSA-N 1 0 386.879 4.265 20 0 GIADRO O=C(c1ccc(-c2cncnc2)cc1F)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000185918479 822833229 /nfs/dbraw/zinc/83/32/29/822833229.db2.gz WZDOFZJXOBCEDK-SFHVURJKSA-N 1 0 396.510 4.011 20 0 GIADRO CC[C@H](NC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1)c1nc(C)cs1 ZINC000174762655 822833914 /nfs/dbraw/zinc/83/39/14/822833914.db2.gz JFCUZJKOXKAERV-HKUYNNGSSA-N 1 0 386.565 4.209 20 0 GIADRO CC1CC[NH+](C[C@H]2CCCN(C(=O)Nc3cccc(-c4cc[nH]n4)c3)C2)CC1 ZINC000185927763 822834601 /nfs/dbraw/zinc/83/46/01/822834601.db2.gz OXNRXUYOVVTEIY-GOSISDBHSA-N 1 0 381.524 4.053 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)c2oc3ccc(OC)cc3c2C)C1 ZINC000174779783 822835839 /nfs/dbraw/zinc/83/58/39/822835839.db2.gz NPZQCINJWDENQC-IRXDYDNUSA-N 1 0 387.524 4.184 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)Nc2cccc(-c3cc[nH]n3)c2)CC1 ZINC000185944036 822835921 /nfs/dbraw/zinc/83/59/21/822835921.db2.gz TXNJKNPSYZJBPT-UHFFFAOYSA-N 1 0 383.540 4.443 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H](C)c2nc(-c3ccccc3)cs2)C1 ZINC000174791206 822837513 /nfs/dbraw/zinc/83/75/13/822837513.db2.gz YPZQXPQZKHDBEN-DLBZAZTESA-N 1 0 386.565 4.244 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)NCc2ccccc2Sc2ccccc2)CC[N@@H+]1C ZINC000174793757 822837728 /nfs/dbraw/zinc/83/77/28/822837728.db2.gz UQYZWIXYANBYNS-HKUYNNGSSA-N 1 0 383.561 4.462 20 0 GIADRO CC(=O)Nc1ccc(F)c(C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)c1 ZINC000053513206 822838126 /nfs/dbraw/zinc/83/81/26/822838126.db2.gz DPDRAQBSACMVFT-MRXNPFEDSA-N 1 0 397.494 4.089 20 0 GIADRO CN(Cc1ccc(Cl)s1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000053513692 822838187 /nfs/dbraw/zinc/83/81/87/822838187.db2.gz UBWFTKHERXLIEF-UHFFFAOYSA-N 1 0 377.941 4.208 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000174797268 822838389 /nfs/dbraw/zinc/83/83/89/822838389.db2.gz JZAYLSPPQAMLHO-HKUYNNGSSA-N 1 0 396.560 4.144 20 0 GIADRO C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000185964951 822838567 /nfs/dbraw/zinc/83/85/67/822838567.db2.gz KWFDXJHFNXHBCB-FQEVSTJZSA-N 1 0 398.890 4.362 20 0 GIADRO CN(Cc1ccc(Cl)cc1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000053523571 822838602 /nfs/dbraw/zinc/83/86/02/822838602.db2.gz ZEFRSEPXWDNDAB-GOSISDBHSA-N 1 0 375.900 4.302 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H](c2ccccc2)c2ccccc2OC)C1 ZINC000174801131 822839049 /nfs/dbraw/zinc/83/90/49/822839049.db2.gz YKVKCWMNUZSSBO-XXBNENTESA-N 1 0 395.547 4.158 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1ccc(Cl)s1 ZINC000174800927 822839123 /nfs/dbraw/zinc/83/91/23/822839123.db2.gz JQNXVRIHIPXXNT-KRWDZBQOSA-N 1 0 391.968 4.455 20 0 GIADRO CN(C(=O)c1ccc(F)c(Cl)c1F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000185978185 822840213 /nfs/dbraw/zinc/84/02/13/822840213.db2.gz TVIVFAMGFVFRRG-UHFFFAOYSA-N 1 0 378.850 4.355 20 0 GIADRO C[C@H]1CCCCN1C(=O)C[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000174822150 822842058 /nfs/dbraw/zinc/84/20/58/822842058.db2.gz DGNVGOZOPKLYED-AWEZNQCLSA-N 1 0 375.900 4.062 20 0 GIADRO NC(=O)c1ccc(-c2nc(C[NH+]3CCC(Cc4ccccc4)CC3)cs2)cc1 ZINC000053602342 822842150 /nfs/dbraw/zinc/84/21/50/822842150.db2.gz KETCUIQKMIWQMF-UHFFFAOYSA-N 1 0 391.540 4.364 20 0 GIADRO NC(=O)c1ccc(-c2nc(C[N@@H+]3CCC[C@H]3Cc3ccc(F)cc3)cs2)cc1 ZINC000053641605 822843557 /nfs/dbraw/zinc/84/35/57/822843557.db2.gz ORQNUEOMUQFYFC-FQEVSTJZSA-N 1 0 395.503 4.255 20 0 GIADRO CCSCC[C@H](C)N(C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000174839380 822844630 /nfs/dbraw/zinc/84/46/30/822844630.db2.gz ZMQULAXXPIVJTJ-XSLAUPDRSA-N 1 0 389.609 4.355 20 0 GIADRO Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000186031276 822845434 /nfs/dbraw/zinc/84/54/34/822845434.db2.gz RGVFIFXFIJGMSN-GFCCVEGCSA-N 1 0 395.272 4.282 20 0 GIADRO CC(=O)Nc1ccc2c(C[N@@H+]3CCC[C@H]3c3cccc(F)c3)cc(=O)oc2c1 ZINC000053717993 822845871 /nfs/dbraw/zinc/84/58/71/822845871.db2.gz FGIFYVCMLVFBPK-FQEVSTJZSA-N 1 0 380.419 4.228 20 0 GIADRO CCSc1cc(CNC(=O)NCc2ccc(C[NH+](CC)CC)cc2)ccn1 ZINC000186036201 822846061 /nfs/dbraw/zinc/84/60/61/822846061.db2.gz NOVXHOZYANCUNO-UHFFFAOYSA-N 1 0 386.565 4.035 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2ccc(N3CCOC3=O)cc2)cc1 ZINC000053721961 822846165 /nfs/dbraw/zinc/84/61/65/822846165.db2.gz ORTZJFNYCYHRHZ-QGZVFWFLSA-N 1 0 393.487 4.270 20 0 GIADRO O=S1(=O)CCCN1c1ccc(C[NH2+]C2c3ccccc3-c3ccccc32)cc1 ZINC000186038991 822846188 /nfs/dbraw/zinc/84/61/88/822846188.db2.gz AKRUUCUUQIWRIT-UHFFFAOYSA-N 1 0 390.508 4.086 20 0 GIADRO COc1ccc([C@@H](NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2)c2ccco2)cc1 ZINC000457014137 822846329 /nfs/dbraw/zinc/84/63/29/822846329.db2.gz WOLWVMCYCHQDEN-VGOFRKELSA-N 1 0 378.472 4.014 20 0 GIADRO O=S1(=O)CCCN1c1ccc(C[NH2+]C2CCC(c3ccccc3)CC2)cc1 ZINC000186039899 822846411 /nfs/dbraw/zinc/84/64/11/822846411.db2.gz AHTRBFVEVLTZCB-UHFFFAOYSA-N 1 0 384.545 4.043 20 0 GIADRO CC1(C)CCC[N@@H+]1CCNC(=O)c1ccc(Br)cc1C(F)(F)F ZINC000457056337 822848632 /nfs/dbraw/zinc/84/86/32/822848632.db2.gz NMEGUXWPRAMRHP-UHFFFAOYSA-N 1 0 393.247 4.072 20 0 GIADRO C[C@@H](C(=O)NC(C)(C)C[NH+]1CCCC1)c1cccc(C(=O)c2ccccc2)c1 ZINC000457060742 822848846 /nfs/dbraw/zinc/84/88/46/822848846.db2.gz XWINRQBSKBVKIF-GOSISDBHSA-N 1 0 378.516 4.012 20 0 GIADRO CN(C(=O)CCc1cnc2ccccc2c1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457062513 822849119 /nfs/dbraw/zinc/84/91/19/822849119.db2.gz CXSNIIPVUNOPAQ-UHFFFAOYSA-N 1 0 393.453 4.043 20 0 GIADRO CC(C)c1ccc(-c2ncc(C[N@@H+]3CC[C@@H](CN4CCOCC4)C3)s2)cc1 ZINC000174875751 822849630 /nfs/dbraw/zinc/84/96/30/822849630.db2.gz AZIUWSCKVXUKJG-SFHVURJKSA-N 1 0 385.577 4.088 20 0 GIADRO CCOc1ccc(NC(=O)NC2CC[NH+](C3CCCC3)CC2)c2ncccc12 ZINC000186082687 822850126 /nfs/dbraw/zinc/85/01/26/822850126.db2.gz WPVMDGSCXQCOQZ-UHFFFAOYSA-N 1 0 382.508 4.162 20 0 GIADRO COc1ccc2ccc(C(=O)N(C)C3CC[NH+](CCC(F)(F)F)CC3)cc2c1 ZINC000457073902 822850254 /nfs/dbraw/zinc/85/02/54/822850254.db2.gz URZDQAQSRYQJCY-UHFFFAOYSA-N 1 0 394.437 4.337 20 0 GIADRO CN(C(=O)c1ccccc1OC(F)(F)F)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457079493 822850791 /nfs/dbraw/zinc/85/07/91/822850791.db2.gz FMQGFPMGVGBBJM-UHFFFAOYSA-N 1 0 398.347 4.074 20 0 GIADRO CCOc1ccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c2ncccc12 ZINC000186096167 822851291 /nfs/dbraw/zinc/85/12/91/822851291.db2.gz XZOFZSKFOREJGN-JXFKEZNVSA-N 1 0 394.519 4.114 20 0 GIADRO CN(C(=O)c1cccn1Cc1cccs1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457084483 822851447 /nfs/dbraw/zinc/85/14/47/822851447.db2.gz LDYUFAGITXSDHC-UHFFFAOYSA-N 1 0 399.482 4.087 20 0 GIADRO COc1c(C)ccc(NC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1C ZINC000174896454 822852279 /nfs/dbraw/zinc/85/22/79/822852279.db2.gz CNXYMMPTTTZARA-HXUWFJFHSA-N 1 0 381.520 4.298 20 0 GIADRO Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000457100552 822853246 /nfs/dbraw/zinc/85/32/46/822853246.db2.gz WSBXZQGFZHHNHF-INIZCTEOSA-N 1 0 395.425 4.224 20 0 GIADRO Cc1cnc([C@@H](C)NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)s1 ZINC000174909795 822854404 /nfs/dbraw/zinc/85/44/04/822854404.db2.gz ZYQNXBQSHHCPER-SZVBFZGTSA-N 1 0 386.565 4.207 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2sccc2Br)CC1 ZINC000053968519 822855009 /nfs/dbraw/zinc/85/50/09/822855009.db2.gz QGAJWCKWBXQCNK-UHFFFAOYSA-N 1 0 393.350 4.213 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000053968510 822855022 /nfs/dbraw/zinc/85/50/22/822855022.db2.gz NOFYVEJXNRERHQ-AEFFLSMTSA-N 1 0 382.470 4.444 20 0 GIADRO CCC[C@H]([NH2+][C@H](C)c1sccc1OC)C(=O)N1CCc2sccc2C1 ZINC000186148012 822855780 /nfs/dbraw/zinc/85/57/80/822855780.db2.gz JYRNHKLQSQOIIY-HIFRSBDPSA-N 1 0 378.563 4.222 20 0 GIADRO C[N@H+](CCCNC(=O)N(Cc1ccco1)Cc1ccco1)Cc1ccccc1 ZINC000053999451 822856425 /nfs/dbraw/zinc/85/64/25/822856425.db2.gz JBWPTHVSPIZZRI-UHFFFAOYSA-N 1 0 381.476 4.107 20 0 GIADRO Cc1noc(C)c1[C@H](C)C[NH2+][C@@H]1CCCC[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000186157288 822856582 /nfs/dbraw/zinc/85/65/82/822856582.db2.gz WEYVBJREKZBXSF-CDHQVMDDSA-N 1 0 390.549 4.078 20 0 GIADRO Cc1noc2nc(-c3ccc(C)cc3)cc(C(=O)N(C)[C@H]3CC[N@@H+](C(C)C)C3)c12 ZINC000457141262 822856764 /nfs/dbraw/zinc/85/67/64/822856764.db2.gz ZAIFSBYHEAHDKD-SFHVURJKSA-N 1 0 392.503 4.061 20 0 GIADRO COc1ccc(SCCC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000174932707 822857789 /nfs/dbraw/zinc/85/77/89/822857789.db2.gz SSMGWXZCPIZHLT-FQEVSTJZSA-N 1 0 398.572 4.158 20 0 GIADRO Cc1oc2ccccc2c1CNC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186170812 822857818 /nfs/dbraw/zinc/85/78/18/822857818.db2.gz HZUWFDKZUKQXOC-FQEVSTJZSA-N 1 0 391.515 4.405 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCc1cc(Cl)cs1 ZINC000174936091 822858074 /nfs/dbraw/zinc/85/80/74/822858074.db2.gz HQXVWZSBXWFPOV-KRWDZBQOSA-N 1 0 376.953 4.315 20 0 GIADRO C[N@H+](CCCCNC(=O)c1ccc(Br)c(C(F)(F)F)c1)C1CC1 ZINC000457165698 822858483 /nfs/dbraw/zinc/85/84/83/822858483.db2.gz KMELQNNBMSEEBS-UHFFFAOYSA-N 1 0 393.247 4.072 20 0 GIADRO Cc1nc([C@H]2CCCN2C(=O)NC2CC[NH+](CCc3ccccc3)CC2)cs1 ZINC000186180721 822858520 /nfs/dbraw/zinc/85/85/20/822858520.db2.gz CEJGWBIHZKVSAV-OAQYLSRUSA-N 1 0 398.576 4.005 20 0 GIADRO C[N@H+](CCCCNC(=O)[C@H]1CCCO[C@H]1c1ccc(Cl)cc1Cl)C1CC1 ZINC000457171680 822858714 /nfs/dbraw/zinc/85/87/14/822858714.db2.gz SLWPQGHKSLACPW-HKUYNNGSSA-N 1 0 399.362 4.452 20 0 GIADRO C[N@@H+]1CCCN(c2ccc(NC(=O)c3cc4cc(Cl)ccc4[nH]3)cc2)CC1 ZINC000054012353 822858901 /nfs/dbraw/zinc/85/89/01/822858901.db2.gz HGTWHOAXSZEMLL-UHFFFAOYSA-N 1 0 382.895 4.216 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@@H]1c1csc(C)n1)c1ccsc1 ZINC000186186439 822859109 /nfs/dbraw/zinc/85/91/09/822859109.db2.gz RKMBRWBLGJBYDC-QZTJIDSGSA-N 1 0 392.594 4.443 20 0 GIADRO COc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H](c3ccccc3)C3CC3)CC2)cc1 ZINC000054024701 822859409 /nfs/dbraw/zinc/85/94/09/822859409.db2.gz JBMAWIFRAOPVTP-QHCPKHFHSA-N 1 0 393.531 4.064 20 0 GIADRO Cc1ocnc1C(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457191848 822859588 /nfs/dbraw/zinc/85/95/88/822859588.db2.gz AOFSFUFFUFIUHP-OAQYLSRUSA-N 1 0 381.520 4.280 20 0 GIADRO O=C(c1ccccn1)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457191931 822859685 /nfs/dbraw/zinc/85/96/85/822859685.db2.gz CJOQZEQUSOROOL-HSZRJFAPSA-N 1 0 377.532 4.379 20 0 GIADRO O=C(C[C@@H]1CCCO1)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457193321 822859801 /nfs/dbraw/zinc/85/98/01/822859801.db2.gz HKIVXPBPQPJILG-XZOQPEGZSA-N 1 0 384.564 4.239 20 0 GIADRO CCn1ccnc1C(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457193292 822859850 /nfs/dbraw/zinc/85/98/50/822859850.db2.gz HBSPVYWYZCLXNR-JOCHJYFZSA-N 1 0 394.563 4.200 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cc1c[nH]c2cc(Cl)ccc12 ZINC000174949776 822859868 /nfs/dbraw/zinc/85/98/68/822859868.db2.gz AAXXIYYFMHSINR-SFHVURJKSA-N 1 0 395.934 4.344 20 0 GIADRO O=C(CC[C@H]1CCOC1)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457193805 822859909 /nfs/dbraw/zinc/85/99/09/822859909.db2.gz JKOKYGIMYJBIML-LADGPHEKSA-N 1 0 398.591 4.487 20 0 GIADRO CC(=O)CCCC(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457194492 822859926 /nfs/dbraw/zinc/85/99/26/822859926.db2.gz LCLHFXVMLABZTM-QHCPKHFHSA-N 1 0 384.564 4.429 20 0 GIADRO C[N@H+](CCCCNC(=O)C1(c2ccc(Br)cc2)CCCC1)C1CC1 ZINC000457194566 822860076 /nfs/dbraw/zinc/86/00/76/822860076.db2.gz FOHLMFFTOVVHAH-UHFFFAOYSA-N 1 0 393.369 4.252 20 0 GIADRO C[C@@H]([NH2+]Cc1cccnc1OCC(F)F)c1ccc(Br)cc1O ZINC000186199451 822860145 /nfs/dbraw/zinc/86/01/45/822860145.db2.gz ZZLSSHLFPKQTGE-SNVBAGLBSA-N 1 0 387.224 4.044 20 0 GIADRO C[N@H+](CCCCNC(=O)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1)C1CC1 ZINC000457202237 822860626 /nfs/dbraw/zinc/86/06/26/822860626.db2.gz NFWOKFOGZBQTMC-ZWKOTPCHSA-N 1 0 383.561 4.337 20 0 GIADRO CCOc1ccc(-c2nc(C)c(C(=O)NCCCC[N@H+](C)C3CC3)s2)cc1 ZINC000457213161 822861055 /nfs/dbraw/zinc/86/10/55/822861055.db2.gz YLWRYOFIEGHGTN-UHFFFAOYSA-N 1 0 387.549 4.121 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cc1cccc(C(F)(F)F)c1 ZINC000174957572 822861222 /nfs/dbraw/zinc/86/12/22/822861222.db2.gz NRQNLBHBOJSMHO-IBGZPJMESA-N 1 0 390.449 4.228 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)N[C@H](C)c2ccc(OC)c(F)c2)cc1 ZINC000054073325 822861366 /nfs/dbraw/zinc/86/13/66/822861366.db2.gz BLXVSMRFWWHIJF-MRXNPFEDSA-N 1 0 387.499 4.237 20 0 GIADRO Cc1cc2[nH]c(C(=O)N(C)C[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc2c(C)c1 ZINC000174958950 822861457 /nfs/dbraw/zinc/86/14/57/822861457.db2.gz IHHWBBLAHHXDPI-FQEVSTJZSA-N 1 0 375.516 4.379 20 0 GIADRO c1ncn(CC2CC[NH+](Cc3cn(-c4ccccc4)nc3-c3ccccc3)CC2)n1 ZINC000186218455 822861831 /nfs/dbraw/zinc/86/18/31/822861831.db2.gz IJRMVQWGBMRMGO-UHFFFAOYSA-N 1 0 398.514 4.043 20 0 GIADRO Cc1cc(F)cc2[nH]c(C(=O)N(C)C[C@H]3CC[N@H+](Cc4ccccc4)C3)cc21 ZINC000174963294 822862145 /nfs/dbraw/zinc/86/21/45/822862145.db2.gz IWPKJERHUMWUGG-GOSISDBHSA-N 1 0 379.479 4.210 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(OC(F)(F)F)cc1 ZINC000174964768 822862159 /nfs/dbraw/zinc/86/21/59/822862159.db2.gz REERFEABVHQKSB-KRWDZBQOSA-N 1 0 392.421 4.179 20 0 GIADRO Cc1nc(-c2cccs2)sc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000174971139 822862850 /nfs/dbraw/zinc/86/28/50/822862850.db2.gz JSWORQFDKFMERN-CABCVRRESA-N 1 0 375.563 4.267 20 0 GIADRO C/C(=C\c1ccc(F)cc1)C(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1 ZINC000186241566 822863876 /nfs/dbraw/zinc/86/38/76/822863876.db2.gz ZDRLCLXSOVFNCZ-DTQAZKPQSA-N 1 0 383.467 4.066 20 0 GIADRO Cc1c[nH+]ccc1N1CCC(C(=O)N2C[C@@H](c3ccccc3)C3(CCC3)C2)CC1 ZINC000568960643 822865188 /nfs/dbraw/zinc/86/51/88/822865188.db2.gz GKSXTQMNVUQWML-QFIPXVFZSA-N 1 0 389.543 4.403 20 0 GIADRO Cc1cc(F)ccc1-c1ccc(C[NH2+]Cc2ccccc2CS(C)(=O)=O)o1 ZINC000174995689 822865294 /nfs/dbraw/zinc/86/52/94/822865294.db2.gz XEOSCILJUJKSHT-UHFFFAOYSA-N 1 0 387.476 4.229 20 0 GIADRO Cc1c(COc2ccccc2)cccc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000174997089 822865359 /nfs/dbraw/zinc/86/53/59/822865359.db2.gz CYMVVYFAOSMIRT-UXHICEINSA-N 1 0 379.504 4.274 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC(C)(C)c1ccccc1 ZINC000174997061 822865363 /nfs/dbraw/zinc/86/53/63/822865363.db2.gz SZZDOHOPRDHVLD-OAQYLSRUSA-N 1 0 379.548 4.128 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)N[C@H](Cc2ccc(C)cc2)c2ccccn2)CC1 ZINC000174998211 822865393 /nfs/dbraw/zinc/86/53/93/822865393.db2.gz IXLAPDXUCGKCRY-HSZRJFAPSA-N 1 0 394.563 4.095 20 0 GIADRO Cc1ccc(NC(=O)C[C@H]2CCCc3ccccc32)cc1NC(=O)CC[NH+](C)C ZINC000186256206 822865681 /nfs/dbraw/zinc/86/56/81/822865681.db2.gz FBZKRJNQEPIAKM-LJQANCHMSA-N 1 0 393.531 4.334 20 0 GIADRO COc1ccccc1[C@H](C)CC(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1 ZINC000186260269 822866250 /nfs/dbraw/zinc/86/62/50/822866250.db2.gz DFAAUJBZBVQUPK-QGZVFWFLSA-N 1 0 397.519 4.026 20 0 GIADRO O=C(Nc1ccccn1)[C@H]1CCC[N@@H+](Cc2cc(Cl)cc3cccnc32)C1 ZINC000054182534 822866345 /nfs/dbraw/zinc/86/63/45/822866345.db2.gz MUPCBKVZLBURCL-INIZCTEOSA-N 1 0 380.879 4.134 20 0 GIADRO COc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@H]2CCCOC2)cc1 ZINC000054181148 822866428 /nfs/dbraw/zinc/86/64/28/822866428.db2.gz ZNBZLDYJQXSBPY-HXUWFJFHSA-N 1 0 391.515 4.123 20 0 GIADRO Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)cc1NC(=O)CC[NH+](C)C ZINC000186261732 822866457 /nfs/dbraw/zinc/86/64/57/822866457.db2.gz NSCPLGSSYFNBDP-RBUKOAKNSA-N 1 0 399.922 4.281 20 0 GIADRO CC(=O)N(c1nc(CN[C@H]2CCC[C@H]([NH+](C)C)C2)cs1)c1ccc(C)cc1 ZINC000175010264 822866704 /nfs/dbraw/zinc/86/67/04/822866704.db2.gz KXPCUGHSKMSYPO-PXNSSMCTSA-N 1 0 386.565 4.099 20 0 GIADRO CC(=O)N(c1nc(CN[C@@H]2CCC[C@H]([NH+](C)C)C2)cs1)c1ccc(C)cc1 ZINC000175010242 822866782 /nfs/dbraw/zinc/86/67/82/822866782.db2.gz KXPCUGHSKMSYPO-XLIONFOSSA-N 1 0 386.565 4.099 20 0 GIADRO Cc1c(F)cccc1NC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000175010274 822866811 /nfs/dbraw/zinc/86/68/11/822866811.db2.gz VECDDQIPNIFLSL-QGZVFWFLSA-N 1 0 385.483 4.156 20 0 GIADRO C[NH+](C)[C@H]1CCC[C@H](NCc2csc(COc3ccc(Cl)cc3)n2)C1 ZINC000175012077 822867095 /nfs/dbraw/zinc/86/70/95/822867095.db2.gz RDACKKVTIGRBGW-RDJZCZTQSA-N 1 0 379.957 4.338 20 0 GIADRO OC1CC[NH+](Cc2ccccc2CNCc2ccc(-c3ccccc3)o2)CC1 ZINC000175017418 822868018 /nfs/dbraw/zinc/86/80/18/822868018.db2.gz YCGQSBLOKBLTJA-UHFFFAOYSA-N 1 0 376.500 4.193 20 0 GIADRO C[C@H](OC[C@H](O)C[NH2+]Cc1nc2ccccc2n1C1CC1)c1ccc(Cl)cc1 ZINC000568993619 822868060 /nfs/dbraw/zinc/86/80/60/822868060.db2.gz TZFPMUOSSFFPEB-HNAYVOBHSA-N 1 0 399.922 4.253 20 0 GIADRO C[C@@H](OC[C@H](O)C[NH2+]Cc1nc2ccccc2n1C1CC1)c1ccc(Cl)cc1 ZINC000568993618 822868146 /nfs/dbraw/zinc/86/81/46/822868146.db2.gz TZFPMUOSSFFPEB-DNVCBOLYSA-N 1 0 399.922 4.253 20 0 GIADRO Cc1cccnc1NC(=O)C1CC[NH+](Cc2c(Cl)ccc3cccnc32)CC1 ZINC000054208213 822868635 /nfs/dbraw/zinc/86/86/35/822868635.db2.gz NGLFOKRDBWJTLL-UHFFFAOYSA-N 1 0 394.906 4.442 20 0 GIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)C1 ZINC000054222955 822869142 /nfs/dbraw/zinc/86/91/42/822869142.db2.gz BTICPGMJDCADPD-LPHOPBHVSA-N 1 0 380.536 4.081 20 0 GIADRO O=C(CS[C@H](c1ccccc1)c1ccc(Cl)cc1)NCC1=CC[NH2+]CC1 ZINC000186279149 822869262 /nfs/dbraw/zinc/86/92/62/822869262.db2.gz WRKYHZVRYJICFN-OAQYLSRUSA-N 1 0 386.948 4.199 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CCc2ncc(-c3ccccc3)o2)C1 ZINC000054224204 822869296 /nfs/dbraw/zinc/86/92/96/822869296.db2.gz TXAZNYNJMOSNDY-NQIIRXRSSA-N 1 0 389.499 4.226 20 0 GIADRO Cc1nc(-c2c[nH]c(C(=O)N[C@H]3CC[N@@H+]([C@@H](C)c4ccccc4)C3)c2)cs1 ZINC000054224767 822869489 /nfs/dbraw/zinc/86/94/89/822869489.db2.gz FXURZBUBCMCPBK-KSSFIOAISA-N 1 0 380.517 4.012 20 0 GIADRO COc1cc(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)ccc1OC(C)C ZINC000054226543 822869752 /nfs/dbraw/zinc/86/97/52/822869752.db2.gz XYLLYPACECDWPH-FXAWDEMLSA-N 1 0 382.504 4.048 20 0 GIADRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1 ZINC000457355839 822870059 /nfs/dbraw/zinc/87/00/59/822870059.db2.gz AUYBFOGBFCBQKI-BXUZGUMPSA-N 1 0 380.275 4.133 20 0 GIADRO COc1cccc(F)c1NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000186283415 822870135 /nfs/dbraw/zinc/87/01/35/822870135.db2.gz LUUOSGHOQAGGRT-ICSRJNTNSA-N 1 0 397.494 4.353 20 0 GIADRO CC[C@H](CC(=O)N1CCC[C@H]([NH3+])[C@@H]1c1ccccc1OC)c1ccc(OC)cc1 ZINC000457358646 822870205 /nfs/dbraw/zinc/87/02/05/822870205.db2.gz DKYRLOJKLSTRRE-GQOCTPOGSA-N 1 0 396.531 4.279 20 0 GIADRO COc1ccccc1[C@H]1[C@@H]([NH3+])CCCN1C(=O)CCCc1cc(C)sc1C ZINC000457361411 822870260 /nfs/dbraw/zinc/87/02/60/822870260.db2.gz KDRHBFUWGAGQSR-UGKGYDQZSA-N 1 0 386.561 4.387 20 0 GIADRO COc1ccccc1[C@H]1[C@@H]([NH3+])CCCN1C(=O)c1cccc(C(F)(F)F)c1 ZINC000457366053 822870527 /nfs/dbraw/zinc/87/05/27/822870527.db2.gz ULMMIFKNWLXRSJ-WMZOPIPTSA-N 1 0 378.394 4.019 20 0 GIADRO CC1(C)CN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)[C@H]1c1ccncc1 ZINC000457370255 822870921 /nfs/dbraw/zinc/87/09/21/822870921.db2.gz DMGFAPMTVMCCAV-SFTDATJTSA-N 1 0 378.520 4.011 20 0 GIADRO Cc1nc(C2CCCC2)sc1C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000457370466 822870998 /nfs/dbraw/zinc/87/09/98/822870998.db2.gz OLUIKTQOXPAAIH-ROUUACIJSA-N 1 0 387.524 4.205 20 0 GIADRO [NH3+][C@@H]1CN(C(=O)c2ccc(CCC(F)(F)F)cc2)CC[C@H]1c1ccc(F)cc1 ZINC000457374111 822871076 /nfs/dbraw/zinc/87/10/76/822871076.db2.gz KDGMOQRUWQNCDN-RBUKOAKNSA-N 1 0 394.412 4.278 20 0 GIADRO [NH3+][C@@H]1CN(C(=O)c2ccccc2CCC(F)(F)F)CC[C@H]1c1ccc(F)cc1 ZINC000457373634 822871172 /nfs/dbraw/zinc/87/11/72/822871172.db2.gz VJQGDEKVCJRAOU-PKOBYXMFSA-N 1 0 394.412 4.278 20 0 GIADRO [NH3+][C@H]1CN(C(=O)c2cc(C3CC3)nc3ccccc32)CC[C@H]1c1ccc(F)cc1 ZINC000457375337 822871310 /nfs/dbraw/zinc/87/13/10/822871310.db2.gz LHZSOYSCXATJLV-RXVVDRJESA-N 1 0 389.474 4.208 20 0 GIADRO Cc1nc(-c2cccc(C(=O)N3CC[C@@H](c4ccc(F)cc4)[C@H]([NH3+])C3)c2)cs1 ZINC000457376607 822871364 /nfs/dbraw/zinc/87/13/64/822871364.db2.gz ZDZLWZPUZGGMRT-VQTJNVASSA-N 1 0 395.503 4.215 20 0 GIADRO C[C@H](NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)c1ccc(F)cc1F ZINC000457382765 822871861 /nfs/dbraw/zinc/87/18/61/822871861.db2.gz XKWULGMOCJHPRT-LBPRGKRZSA-N 1 0 393.400 4.084 20 0 GIADRO CCc1ccc2occ(C(=O)N3CC[C@H](c4ccc(OC)c(F)c4)[C@H]([NH3+])C3)c2c1 ZINC000457385290 822872014 /nfs/dbraw/zinc/87/20/14/822872014.db2.gz SFEGGXQPIXSWSC-OXQOHEQNSA-N 1 0 396.462 4.100 20 0 GIADRO [NH3+][C@@H]1CN(C(=O)CCc2ccc(-c3ccccc3)[nH]2)CC[C@H]1c1ccc(F)cc1 ZINC000457386892 822872040 /nfs/dbraw/zinc/87/20/40/822872040.db2.gz UHDOZERGBDALIR-FCHUYYIVSA-N 1 0 391.490 4.097 20 0 GIADRO Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000457385770 822872045 /nfs/dbraw/zinc/87/20/45/822872045.db2.gz VYZHDJQRIJBHTJ-UHFFFAOYSA-N 1 0 396.922 4.399 20 0 GIADRO COc1ccc([C@@H]2CCN(C(=O)c3cc(Cl)ccc3Cl)C[C@@H]2[NH3+])cc1F ZINC000457390413 822872418 /nfs/dbraw/zinc/87/24/18/822872418.db2.gz XJHGRURAJDVXIS-GUYCJALGSA-N 1 0 397.277 4.098 20 0 GIADRO CSCc1cccnc1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000569043313 822872766 /nfs/dbraw/zinc/87/27/66/822872766.db2.gz JQEFMCMIPZANIL-FPOVZHCZSA-N 1 0 395.572 4.071 20 0 GIADRO CSCc1cccnc1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000569043317 822872775 /nfs/dbraw/zinc/87/27/75/822872775.db2.gz JQEFMCMIPZANIL-TZIWHRDSSA-N 1 0 395.572 4.071 20 0 GIADRO CCN(C(=O)c1cnc(Cl)c(Cl)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186304142 822873474 /nfs/dbraw/zinc/87/34/74/822873474.db2.gz RYYDMMQQTQQOCA-INIZCTEOSA-N 1 0 378.303 4.125 20 0 GIADRO CC(C)Oc1ccc([C@H](C[NH2+]Cc2ccn(-c3ccccc3)n2)N(C)C)cc1 ZINC000569048511 822873631 /nfs/dbraw/zinc/87/36/31/822873631.db2.gz RWNCEZHKJARLTC-QHCPKHFHSA-N 1 0 378.520 4.052 20 0 GIADRO CC(=O)c1ccc(NC(=O)CC[NH+]2CCC(C(=O)c3ccc(C)cc3)CC2)cc1 ZINC000054299019 822873986 /nfs/dbraw/zinc/87/39/86/822873986.db2.gz GMHKXZVVQNYOHX-UHFFFAOYSA-N 1 0 392.499 4.121 20 0 GIADRO COc1ccc([C@H]2CC[N@H+](Cc3nnc(-c4ccc(Cl)cc4)n3C)C2)cc1 ZINC000186307867 822874162 /nfs/dbraw/zinc/87/41/62/822874162.db2.gz HMPWNWSBIPLOID-KRWDZBQOSA-N 1 0 382.895 4.134 20 0 GIADRO CC(C)[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccsc1)c1nc2ccccc2[nH]1 ZINC000457426762 822874361 /nfs/dbraw/zinc/87/43/61/822874361.db2.gz BHHREYSJECXDST-IBGZPJMESA-N 1 0 399.564 4.095 20 0 GIADRO Cc1cc(Br)c(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)s1 ZINC000457436570 822875002 /nfs/dbraw/zinc/87/50/02/822875002.db2.gz GWCCUDBMANEEDS-HNNXBMFYSA-N 1 0 393.350 4.213 20 0 GIADRO C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@@H]1CCCc2c1cnn2-c1ncccn1 ZINC000569061568 822875531 /nfs/dbraw/zinc/87/55/31/822875531.db2.gz NNIJZUPPELIBAX-YLJYHZDGSA-N 1 0 375.520 4.386 20 0 GIADRO CC(C)Oc1ccccc1NC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000175060736 822875756 /nfs/dbraw/zinc/87/57/56/822875756.db2.gz UUPAGFZNLRMVBD-HXUWFJFHSA-N 1 0 381.520 4.460 20 0 GIADRO C[C@@H](NC(=O)[C@H](C)N1CCC([NH+]2CCCC2)CC1)c1ccc(Cl)cc1Cl ZINC000054317247 822875759 /nfs/dbraw/zinc/87/57/59/822875759.db2.gz CZMDNMPOQXGROB-CABCVRRESA-N 1 0 398.378 4.119 20 0 GIADRO C[C@@H]([NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)[C@H](c1ccccc1)N(C)C ZINC000186324625 822876303 /nfs/dbraw/zinc/87/63/03/822876303.db2.gz VNKJCDDBWLLXOP-VGOFRKELSA-N 1 0 399.966 4.226 20 0 GIADRO Cc1occc1C(=O)Nc1cc(NC(=O)C2C[NH+](C3CCCCC3)C2)ccc1F ZINC000457454873 822876480 /nfs/dbraw/zinc/87/64/80/822876480.db2.gz MVCSNNASDVCBLC-UHFFFAOYSA-N 1 0 399.466 4.182 20 0 GIADRO COc1cccc([C@H]2C[C@H](N(C)C(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)C2)c1 ZINC000457454426 822876488 /nfs/dbraw/zinc/87/64/88/822876488.db2.gz IWVFCLFYMCYNDH-ZJOUEHCJSA-N 1 0 397.519 4.013 20 0 GIADRO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)N1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000457459386 822877094 /nfs/dbraw/zinc/87/70/94/822877094.db2.gz NBMKRWUNZBMPBA-JJXSEGSLSA-N 1 0 387.446 4.177 20 0 GIADRO Cc1ccc(CN2CCOCC2)cc1NC(=O)C[C@H](C)Cc1cccc(F)c1 ZINC000175076276 822878101 /nfs/dbraw/zinc/87/81/01/822878101.db2.gz QXFSNWJJXMPPAF-QGZVFWFLSA-N 1 0 384.495 4.174 20 0 GIADRO CC[NH+]1CCC(CNC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(C)C)CC1 ZINC000569083297 822878294 /nfs/dbraw/zinc/87/82/94/822878294.db2.gz UITDYNIFDHNQGZ-GOSISDBHSA-N 1 0 385.474 4.434 20 0 GIADRO COc1cccc([C@H]2C[C@H](N(C)C(=O)NC[C@@H](c3cccc(F)c3)[NH+](C)C)C2)c1 ZINC000457480107 822879554 /nfs/dbraw/zinc/87/95/54/822879554.db2.gz NDZMGEPQBQULNF-VCOUNFBDSA-N 1 0 399.510 4.025 20 0 GIADRO O=C(c1sc(-c2ccco2)nc1-c1ccccc1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000569101303 822880201 /nfs/dbraw/zinc/88/02/01/822880201.db2.gz HFXYGHGJPMXTQE-QFIPXVFZSA-N 1 0 393.512 4.286 20 0 GIADRO CCn1c(-c2ccc3ccccc3c2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000569125512 822881803 /nfs/dbraw/zinc/88/18/03/822881803.db2.gz PBUWVQYXEHMAGY-GOSISDBHSA-N 1 0 377.536 4.286 20 0 GIADRO C[C@H](CC(F)(F)F)C(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000457497248 822881893 /nfs/dbraw/zinc/88/18/93/822881893.db2.gz JVBSRGVZUDQHPV-GFCCVEGCSA-N 1 0 384.364 4.184 20 0 GIADRO CC1(C)OCc2cc(C[NH2+]Cc3cccc(NC(=O)C4CCC4)c3)ccc2O1 ZINC000186362537 822881995 /nfs/dbraw/zinc/88/19/95/822881995.db2.gz VKCRYJYVEQJUMM-UHFFFAOYSA-N 1 0 380.488 4.360 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)NC(c2cccs2)c2cccs2)CC1 ZINC000175104810 822882839 /nfs/dbraw/zinc/88/28/39/822882839.db2.gz ACFKXFAAPSHFKO-UHFFFAOYSA-N 1 0 377.579 4.320 20 0 GIADRO O=C(CC[NH+]1CCN(C/C=C/c2ccccc2)CC1)Nc1cccc2ccccc21 ZINC000054424040 822883685 /nfs/dbraw/zinc/88/36/85/822883685.db2.gz KBFWTMOQNKTGOX-JXMROGBWSA-N 1 0 399.538 4.499 20 0 GIADRO Cc1ccc(C(=O)N2CCC([NH2+]Cc3ccc4c(c3)COC(C)(C)O4)CC2)cc1 ZINC000186375366 822884196 /nfs/dbraw/zinc/88/41/96/822884196.db2.gz ZNOOMKIFKWWBPG-UHFFFAOYSA-N 1 0 394.515 4.035 20 0 GIADRO COc1ccccc1[C@H](C[NH2+][C@@H](C)c1cnc2cc(C)nn2c1C)OC(C)C ZINC000186375411 822884239 /nfs/dbraw/zinc/88/42/39/822884239.db2.gz WIBSNGOLMFNANF-KKSFZXQISA-N 1 0 382.508 4.172 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)CC[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000054429192 822884412 /nfs/dbraw/zinc/88/44/12/822884412.db2.gz QWCZPSCPTCYSIJ-UHFFFAOYSA-N 1 0 386.879 4.172 20 0 GIADRO O=C(NC1CCC(C(F)F)CC1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000457516973 822884710 /nfs/dbraw/zinc/88/47/10/822884710.db2.gz HIEIFRHVCWLVDV-UHFFFAOYSA-N 1 0 399.913 4.428 20 0 GIADRO CC1(C)OCc2cc(C[NH2+]CCc3nc(-c4ccc(Cl)cc4)no3)ccc2O1 ZINC000186377694 822884638 /nfs/dbraw/zinc/88/46/38/822884638.db2.gz HJVBERWHVADSTG-UHFFFAOYSA-N 1 0 399.878 4.367 20 0 GIADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1 ZINC000569154682 822885119 /nfs/dbraw/zinc/88/51/19/822885119.db2.gz LZQOYNQIQNWJLS-GCJKJVERSA-N 1 0 378.516 4.012 20 0 GIADRO COc1ccc(Br)cc1C[NH2+]Cc1cc(C)nc(N2CCCC2)c1 ZINC000569158914 822886033 /nfs/dbraw/zinc/88/60/33/822886033.db2.gz ZLGQJUHGICPAJO-UHFFFAOYSA-N 1 0 390.325 4.051 20 0 GIADRO CC[C@H](CC(F)F)C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC000457528529 822886185 /nfs/dbraw/zinc/88/61/85/822886185.db2.gz KAYJWKYCIWMRAP-OAHLLOKOSA-N 1 0 381.467 4.121 20 0 GIADRO CC1(C)CN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)[C@@H]1c1ccncc1 ZINC000457540469 822887886 /nfs/dbraw/zinc/88/78/86/822887886.db2.gz ZWFCUXPLKVYBDG-JOCHJYFZSA-N 1 0 392.547 4.360 20 0 GIADRO CCC[N@@H+]1CC[C@H](CNC(=O)NCc2ccc(Oc3cc(C)ccc3C)nc2)C1 ZINC000054511421 822891802 /nfs/dbraw/zinc/89/18/02/822891802.db2.gz VYTQMJBUBBHONB-HXUWFJFHSA-N 1 0 396.535 4.022 20 0 GIADRO Cc1ccccc1Oc1ccc(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)nc1 ZINC000457566912 822892068 /nfs/dbraw/zinc/89/20/68/822892068.db2.gz DJKADOFPXDTJGA-IBGZPJMESA-N 1 0 379.504 4.273 20 0 GIADRO O[C@@H]1CC[N@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C[C@H]1C1CCCC1 ZINC000569205814 822892659 /nfs/dbraw/zinc/89/26/59/822892659.db2.gz KZTRCVIVOXMWKE-JTHBVZDNSA-N 1 0 394.563 4.433 20 0 GIADRO Cc1cc(C[NH2+]Cc2cn(-c3ccc(F)cc3)nc2-c2cccc(C)c2)n(C)n1 ZINC000569206098 822892949 /nfs/dbraw/zinc/89/29/49/822892949.db2.gz CJCVJDGDPOOPEG-UHFFFAOYSA-N 1 0 389.478 4.319 20 0 GIADRO Cc1ccc([C@@H](OC[C@@H](O)C[NH2+]CCC2CC(F)(F)C2)c2ccccc2)cc1 ZINC000569214302 822893501 /nfs/dbraw/zinc/89/35/01/822893501.db2.gz PTBYBZITHJJKAP-VXKWHMMOSA-N 1 0 389.486 4.487 20 0 GIADRO Cc1nn(-c2ccc(Br)cc2)cc1-c1nc([C@@H]([NH3+])CC(C)C)no1 ZINC000569221160 822893980 /nfs/dbraw/zinc/89/39/80/822893980.db2.gz IFFKCUBZATYYKP-HNNXBMFYSA-N 1 0 390.285 4.039 20 0 GIADRO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186435556 822894974 /nfs/dbraw/zinc/89/49/74/822894974.db2.gz UNAGVIVQFJRMEH-HSZRJFAPSA-N 1 0 377.463 4.260 20 0 GIADRO Cc1ccccc1Oc1ccc(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)nc1 ZINC000457588510 822895044 /nfs/dbraw/zinc/89/50/44/822895044.db2.gz CCQGTGPFOWOJDB-LJQANCHMSA-N 1 0 379.504 4.130 20 0 GIADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Nc1cccc(NC(=O)c2ccccc2)c1 ZINC000175160522 822895116 /nfs/dbraw/zinc/89/51/16/822895116.db2.gz REUMYSATPYNLLO-OAQYLSRUSA-N 1 0 394.519 4.277 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(Oc3cccc(Cl)c3)cn2)C[C@@H]1C ZINC000457591785 822895574 /nfs/dbraw/zinc/89/55/74/822895574.db2.gz ZXWACNSMCJHICU-RDJZCZTQSA-N 1 0 387.911 4.472 20 0 GIADRO CC(C)(Cc1ccc(Cl)cc1)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000457596219 822896152 /nfs/dbraw/zinc/89/61/52/822896152.db2.gz IOXGLHJTEKRVSE-UHFFFAOYSA-N 1 0 392.971 4.012 20 0 GIADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2ccc(Oc3cccc(Cl)c3)cn2)C1 ZINC000457598574 822896308 /nfs/dbraw/zinc/89/63/08/822896308.db2.gz CVOIPLMCMFZIRE-INIZCTEOSA-N 1 0 387.911 4.331 20 0 GIADRO CC[C@H](C)[NH2+][C@H](CNC(=O)Nc1ccc2oc(C(=O)OC)cc2c1)c1ccco1 ZINC000569249655 822896435 /nfs/dbraw/zinc/89/64/35/822896435.db2.gz IGQHUAIZNBXUCD-XJKSGUPXSA-N 1 0 399.447 4.063 20 0 GIADRO Cc1nc2c(F)cccc2cc1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000569250034 822896631 /nfs/dbraw/zinc/89/66/31/822896631.db2.gz WMLIXCPHEJWWLH-UHFFFAOYSA-N 1 0 391.490 4.119 20 0 GIADRO COc1cc(C[NH2+]C2Cc3ccccc3C2)ccc1OCc1c(C)noc1C ZINC000186445016 822896846 /nfs/dbraw/zinc/89/68/46/822896846.db2.gz FFIRRLOSNVGSLJ-UHFFFAOYSA-N 1 0 378.472 4.136 20 0 GIADRO O=C(c1ccc(Oc2cccc(Cl)c2)cn1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000457612406 822897168 /nfs/dbraw/zinc/89/71/68/822897168.db2.gz VVQYQHISKUYAGD-QGZVFWFLSA-N 1 0 399.922 4.475 20 0 GIADRO C[NH+](C)CCCCC(=O)N1CCCCC[C@@H]1c1noc(-c2ccc(F)cc2)n1 ZINC000569256217 822897606 /nfs/dbraw/zinc/89/76/06/822897606.db2.gz WDCCDHGWBCKBNA-GOSISDBHSA-N 1 0 388.487 4.051 20 0 GIADRO O=C(Cc1ccccc1OC1CCCC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000457617423 822897763 /nfs/dbraw/zinc/89/77/63/822897763.db2.gz QGJBNEOOWRPMQO-UHFFFAOYSA-N 1 0 384.564 4.464 20 0 GIADRO Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000569265423 822898376 /nfs/dbraw/zinc/89/83/76/822898376.db2.gz GOVFVQDYKDXSKL-DLBZAZTESA-N 1 0 380.467 4.388 20 0 GIADRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)N1Cc2ccc(Cl)cc2C1 ZINC000457635604 822899400 /nfs/dbraw/zinc/89/94/00/822899400.db2.gz JKGXPURPFHYPJO-UHFFFAOYSA-N 1 0 383.923 4.072 20 0 GIADRO CCOC(=O)N1CC[C@@H]([NH2+][C@H](C)c2sc(-c3ccccc3F)nc2C)C1 ZINC000186463945 822899567 /nfs/dbraw/zinc/89/95/67/822899567.db2.gz PZISPMMNOFKKMI-TZMCWYRMSA-N 1 0 377.485 4.139 20 0 GIADRO CC(C)Cc1noc(-c2cc(Cl)ccc2NC(=O)N(C)CCC[NH+](C)C)n1 ZINC000186468906 822900249 /nfs/dbraw/zinc/90/02/49/822900249.db2.gz QYAPEZSBYZDWPU-UHFFFAOYSA-N 1 0 393.919 4.004 20 0 GIADRO COC[C@@H]1CCCN(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000457649352 822901207 /nfs/dbraw/zinc/90/12/07/822901207.db2.gz LGYLKZURLOEEJW-SIKLNZKXSA-N 1 0 387.568 4.019 20 0 GIADRO COC[C@H]1CCCN(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000457649353 822901226 /nfs/dbraw/zinc/90/12/26/822901226.db2.gz LGYLKZURLOEEJW-UGKGYDQZSA-N 1 0 387.568 4.019 20 0 GIADRO C[C@H](Sc1ccnc2cc(Cl)ccc21)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000175204338 822903669 /nfs/dbraw/zinc/90/36/69/822903669.db2.gz DPWLURRNTHQGGQ-ZDUSSCGKSA-N 1 0 389.952 4.112 20 0 GIADRO CC(C)c1ccccc1OCC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000569298886 822903615 /nfs/dbraw/zinc/90/36/15/822903615.db2.gz DKAFQJNNUWJOTJ-YADHBBJMSA-N 1 0 392.543 4.169 20 0 GIADRO CC(C)c1ccccc1OCC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000569298884 822903770 /nfs/dbraw/zinc/90/37/70/822903770.db2.gz DKAFQJNNUWJOTJ-FGZHOGPDSA-N 1 0 392.543 4.169 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@@H]2CCc3cnn(C(C)C)c3C2)nnn1-c1cccc(Cl)c1 ZINC000569300623 822903907 /nfs/dbraw/zinc/90/39/07/822903907.db2.gz CSIMYLYYWLZTJC-KBXCAEBGSA-N 1 0 398.942 4.215 20 0 GIADRO CN(Cc1cc2ccccc2o1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000175206664 822904132 /nfs/dbraw/zinc/90/41/32/822904132.db2.gz HSZQRZNEAUYWQI-UHFFFAOYSA-N 1 0 377.488 4.370 20 0 GIADRO COC[C@H]1CCCN(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)CC1 ZINC000457669547 822904196 /nfs/dbraw/zinc/90/41/96/822904196.db2.gz XKMNYKYLMSHAHH-UXHICEINSA-N 1 0 387.568 4.019 20 0 GIADRO Cc1cccc([C@H]2NC(=O)N(C3CC[NH+]([C@H](C)c4ccccc4)CC3)C2=O)c1C ZINC000569301058 822904283 /nfs/dbraw/zinc/90/42/83/822904283.db2.gz ODTQJXVFQDGKOL-XMSQKQJNSA-N 1 0 391.515 4.122 20 0 GIADRO Cc1cc(NC(=O)C[NH2+]Cc2ccc(C(F)F)cc2)ccc1Br ZINC000569300878 822904342 /nfs/dbraw/zinc/90/43/42/822904342.db2.gz CYZSTYZTXQDIQC-UHFFFAOYSA-N 1 0 383.236 4.423 20 0 GIADRO C[N@@H+]1CC[C@H](CNC(=O)c2[nH]ccc2C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000457676312 822905284 /nfs/dbraw/zinc/90/52/84/822905284.db2.gz BQPXBJLFQUEYGV-KUHUBIRLSA-N 1 0 375.875 4.107 20 0 GIADRO C[N@@H+]1CC[C@@H](CNC(=O)c2[nH]ccc2C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000457676310 822905293 /nfs/dbraw/zinc/90/52/93/822905293.db2.gz BQPXBJLFQUEYGV-IFXJQAMLSA-N 1 0 375.875 4.107 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)NC1CCC(C(F)F)CC1 ZINC000457680895 822905739 /nfs/dbraw/zinc/90/57/39/822905739.db2.gz WFIILSYNKUASAC-UHFFFAOYSA-N 1 0 397.510 4.030 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CCC(c2ccsc2)CC1 ZINC000186508916 822906334 /nfs/dbraw/zinc/90/63/34/822906334.db2.gz UWCGSRBBPRSTTB-UHFFFAOYSA-N 1 0 383.561 4.302 20 0 GIADRO Cc1c(Cl)cncc1C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000457684188 822906393 /nfs/dbraw/zinc/90/63/93/822906393.db2.gz HYKLRCCAJKGZOM-FZKQIMNGSA-N 1 0 396.293 4.259 20 0 GIADRO Cc1ccc(Br)cc1NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000175217906 822907148 /nfs/dbraw/zinc/90/71/48/822907148.db2.gz YDEPUEHROJBRKW-UHFFFAOYSA-N 1 0 380.330 4.286 20 0 GIADRO CO[C@@H](C)c1nc(CN2CCC([C@H](O)c3ccc(Cl)cc3)CC2)cs1 ZINC000175218579 822907166 /nfs/dbraw/zinc/90/71/66/822907166.db2.gz OXMAEADRULGERR-SCLBCKFNSA-N 1 0 380.941 4.450 20 0 GIADRO CO[C@H](C)c1nc(CN2CCC([C@H](O)c3ccc(Cl)cc3)CC2)cs1 ZINC000175218603 822907189 /nfs/dbraw/zinc/90/71/89/822907189.db2.gz OXMAEADRULGERR-FZKQIMNGSA-N 1 0 380.941 4.450 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N(C)Cc2ccc(Cl)s2)C1 ZINC000054718223 822907321 /nfs/dbraw/zinc/90/73/21/822907321.db2.gz HVBDUXYSSSFNIE-ZBFHGGJFSA-N 1 0 377.941 4.378 20 0 GIADRO C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(Br)cc1[O-] ZINC000186518738 822907490 /nfs/dbraw/zinc/90/74/90/822907490.db2.gz MVYPNJOVBSKXHG-SOUVJXGZSA-N 1 0 381.358 4.458 20 0 GIADRO CC[C@H](CC(F)F)C(=O)Nc1cc(C)nn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000457692314 822907595 /nfs/dbraw/zinc/90/75/95/822907595.db2.gz ZNQCFLFENPSOTK-QZTJIDSGSA-N 1 0 390.478 4.258 20 0 GIADRO COc1cc(Br)c(C[NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)cc1O ZINC000569327766 822908002 /nfs/dbraw/zinc/90/80/02/822908002.db2.gz HNRLYFMFDQCLLV-QAPCUYQASA-N 1 0 392.293 4.173 20 0 GIADRO COc1ccc2c(c1F)CC[C@@H]2[NH2+]C[C@@H](CO)Cc1ccccc1C(F)(F)F ZINC000569326981 822908098 /nfs/dbraw/zinc/90/80/98/822908098.db2.gz FGYIJECJWCUMNY-UGSOOPFHSA-N 1 0 397.412 4.281 20 0 GIADRO Cc1ccc([C@H](CNC(=O)N2CCC[C@@H]2c2csc(C)n2)[NH+]2CCCC2)o1 ZINC000186523255 822908278 /nfs/dbraw/zinc/90/82/78/822908278.db2.gz RRKDGJGUBVKLKR-MSOLQXFVSA-N 1 0 388.537 4.037 20 0 GIADRO COc1ccc([C@@H](NC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c2ccco2)cc1 ZINC000457703637 822908549 /nfs/dbraw/zinc/90/85/49/822908549.db2.gz JMQSKQMTHAVUFY-AZUAARDMSA-N 1 0 399.516 4.041 20 0 GIADRO Cc1cc(C)n(-c2ccc(NC(=O)NC3CC[NH+](C4CCCC4)CC3)cc2F)n1 ZINC000175229550 822909590 /nfs/dbraw/zinc/90/95/90/822909590.db2.gz BZOGAXLUQZIGLY-UHFFFAOYSA-N 1 0 399.514 4.157 20 0 GIADRO COCCC[C@H]([NH2+][C@@H](CCO)c1ccco1)c1ccc(Br)cc1 ZINC000186551917 822911817 /nfs/dbraw/zinc/91/18/17/822911817.db2.gz OAPKXEDGFQUXJA-IRXDYDNUSA-N 1 0 382.298 4.223 20 0 GIADRO NS(=O)(=O)c1ccc2c(c1)CCC[C@@H]2[NH2+]C1CCC(c2ccccc2)CC1 ZINC000569368815 822911907 /nfs/dbraw/zinc/91/19/07/822911907.db2.gz FVDJZBUPJJQSJB-FQVRHNBASA-N 1 0 384.545 4.027 20 0 GIADRO COc1cccc([C@H]2C[C@H](N(C)C(=O)NCCCC[N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC000457739939 822913005 /nfs/dbraw/zinc/91/30/05/822913005.db2.gz OQQNMEFOYRJSJC-JBACZVJFSA-N 1 0 387.568 4.237 20 0 GIADRO O=C(c1cccc(C[NH+]2CCC([C@H](O)c3ccccc3)CC2)c1)N1CCCCC1 ZINC000054808538 822914644 /nfs/dbraw/zinc/91/46/44/822914644.db2.gz YIQBTKRHPPFAFR-XMMPIXPASA-N 1 0 392.543 4.258 20 0 GIADRO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)N1C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000457753135 822914738 /nfs/dbraw/zinc/91/47/38/822914738.db2.gz XGEDOUPJCYKKPP-YYIAUSFCSA-N 1 0 377.495 4.402 20 0 GIADRO CC[C@H](NC(=O)c1ccccc1)c1noc(-c2ccc(C[NH+](CC)CC)cc2)n1 ZINC000569390879 822915253 /nfs/dbraw/zinc/91/52/53/822915253.db2.gz ZBQDHKCJZNHUDB-FQEVSTJZSA-N 1 0 392.503 4.460 20 0 GIADRO O=C(CCC[NH+]1CCC(c2ncc[nH]2)CC1)c1ccc(Br)cc1 ZINC000569391697 822915545 /nfs/dbraw/zinc/91/55/45/822915545.db2.gz ZRBPNNZGPYBXGF-UHFFFAOYSA-N 1 0 376.298 4.015 20 0 GIADRO COc1ccc([C@@H](Cc2ccccc2)[NH2+]Cc2ccc(Cn3cncn3)cc2)cc1 ZINC000569396492 822916055 /nfs/dbraw/zinc/91/60/55/822916055.db2.gz AHHQZKUVOIPIOT-RUZDIDTESA-N 1 0 398.510 4.409 20 0 GIADRO Cc1cc(CCCC(=O)N(Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c(C)s1 ZINC000186574813 822916187 /nfs/dbraw/zinc/91/61/87/822916187.db2.gz UNSJRWANQUHPFJ-NRFANRHFSA-N 1 0 385.577 4.254 20 0 GIADRO C[C@H](NC(=O)c1c(F)cc(C(F)(F)F)cc1F)[C@@H](c1ccccc1)[NH+](C)C ZINC000569398692 822916726 /nfs/dbraw/zinc/91/67/26/822916726.db2.gz KVRRWRJAFNWLJO-GTNSWQLSSA-N 1 0 386.364 4.405 20 0 GIADRO Cc1nc(-c2ccc([C@@H](C)NC(=O)N(C)[C@H]3CC[N@@H+](C(C)C)C3)cc2)cs1 ZINC000457772164 822917468 /nfs/dbraw/zinc/91/74/68/822917468.db2.gz JLSCPZCUHFNQTK-BEFAXECRSA-N 1 0 386.565 4.304 20 0 GIADRO C[C@H]([NH2+][C@H](Cc1ccc(F)cc1)[C@H]1COc2ccccc2O1)c1cscn1 ZINC000569417169 822919880 /nfs/dbraw/zinc/91/98/80/822919880.db2.gz TZURSKJYVFZXCU-AVBTWRTFSA-N 1 0 384.476 4.384 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(F)c(F)c(F)c1F ZINC000175268432 822920210 /nfs/dbraw/zinc/92/02/10/822920210.db2.gz VMUOHZHEMOYMCE-HNNXBMFYSA-N 1 0 394.412 4.227 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(Cl)c(Cl)[nH]1 ZINC000175269412 822920337 /nfs/dbraw/zinc/92/03/37/822920337.db2.gz CKQARTVDIOADMO-HNNXBMFYSA-N 1 0 380.319 4.306 20 0 GIADRO COc1cc(NC(=O)C[NH2+][C@@H](C)c2ccc(C(F)(F)F)cc2)cc(OC)c1 ZINC000175269671 822920441 /nfs/dbraw/zinc/92/04/41/822920441.db2.gz OBLDJGFSQRLESM-LBPRGKRZSA-N 1 0 382.382 4.012 20 0 GIADRO CCSCc1ccc(C(=O)N(Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000186595152 822920397 /nfs/dbraw/zinc/92/03/97/822920397.db2.gz SLYVZVHFIKPTAR-NRFANRHFSA-N 1 0 383.561 4.119 20 0 GIADRO CCC(=O)Nc1cccc(C(=O)N(CC)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000175277216 822922443 /nfs/dbraw/zinc/92/24/43/822922443.db2.gz YSNFROUNDMOQEL-HXUWFJFHSA-N 1 0 393.531 4.019 20 0 GIADRO CCSc1cc(C(=O)N(CC)C[C@H]2CC[N@H+](Cc3ccccc3)C2)ccn1 ZINC000175277175 822922470 /nfs/dbraw/zinc/92/24/70/822922470.db2.gz LTRUIOQGCQOBJS-IBGZPJMESA-N 1 0 383.561 4.178 20 0 GIADRO Cc1ccc(Oc2ccc(C(=O)N3CC[N@@H+](C4CCC4)C[C@H](C)C3)nc2)cc1 ZINC000457820467 822922682 /nfs/dbraw/zinc/92/26/82/822922682.db2.gz TYCBTRVZTIHDEZ-SFHVURJKSA-N 1 0 379.504 4.129 20 0 GIADRO Cc1nn2c(C[NH2+]C3(Cc4ccccc4)CCOCC3)c(C(C)C)nc2s1 ZINC000569434984 822922780 /nfs/dbraw/zinc/92/27/80/822922780.db2.gz LQMVIPTYIXBXNK-UHFFFAOYSA-N 1 0 384.549 4.104 20 0 GIADRO Cc1cccc(C)c1NC(=S)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000054939639 822923331 /nfs/dbraw/zinc/92/33/31/822923331.db2.gz APTMXNHVNKSRRQ-UHFFFAOYSA-N 1 0 396.604 4.192 20 0 GIADRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)c1ccc(Oc2cccc(F)c2)cn1 ZINC000457826301 822923340 /nfs/dbraw/zinc/92/33/40/822923340.db2.gz BPZNPSMOCQAEDE-UHFFFAOYSA-N 1 0 397.450 4.200 20 0 GIADRO O=C(c1ccc(Cl)c(Cl)c1)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000186611841 822923547 /nfs/dbraw/zinc/92/35/47/822923547.db2.gz WELAEENQSRWHGU-INIZCTEOSA-N 1 0 378.303 4.173 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cc1c[nH]c2cc(F)ccc12 ZINC000175282749 822923592 /nfs/dbraw/zinc/92/35/92/822923592.db2.gz ONXVUUFNBMQDJQ-IBGZPJMESA-N 1 0 393.506 4.220 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000175282935 822923944 /nfs/dbraw/zinc/92/39/44/822923944.db2.gz URSSNQZQFYJJFZ-UHFFFAOYSA-N 1 0 387.911 4.477 20 0 GIADRO O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457843491 822924552 /nfs/dbraw/zinc/92/45/52/822924552.db2.gz KXSDYQIIQRINAJ-LWSSLDFYSA-N 1 0 396.575 4.237 20 0 GIADRO CC(C)(C)[N@@H+]1CCc2nc(NC(=O)c3ccc(-c4cc[nH]n4)s3)sc2C1 ZINC000569449484 822924926 /nfs/dbraw/zinc/92/49/26/822924926.db2.gz FGWANQASKJPOJU-UHFFFAOYSA-N 1 0 387.534 4.004 20 0 GIADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)Cc2cccc(OCc3cccc(Cl)c3)c2)C1 ZINC000569449117 822924959 /nfs/dbraw/zinc/92/49/59/822924959.db2.gz OEWCZDUTBRUYLK-YLJYHZDGSA-N 1 0 386.923 4.095 20 0 GIADRO COc1ccc(C[N@@H+]2CC[C@H](c3cc(C)ccn3)C2)c(Br)c1OC ZINC000569470729 822927092 /nfs/dbraw/zinc/92/70/92/822927092.db2.gz NWFZTCPWWFEVPH-AWEZNQCLSA-N 1 0 391.309 4.159 20 0 GIADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cccc(C(F)F)c1 ZINC000175295639 822927302 /nfs/dbraw/zinc/92/73/02/822927302.db2.gz UWGCHRUTSKQXGR-UHFFFAOYSA-N 1 0 389.446 4.027 20 0 GIADRO Clc1cccc(-c2noc(CC[N@@H+]3CC[C@@]4(C3)OCc3ccccc34)n2)c1 ZINC000186637219 822927552 /nfs/dbraw/zinc/92/75/52/822927552.db2.gz DDPJPJGVYZXTDR-NRFANRHFSA-N 1 0 381.863 4.064 20 0 GIADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cc(C)n(C(C)C)c1C ZINC000175295855 822927639 /nfs/dbraw/zinc/92/76/39/822927639.db2.gz YOQSCSFJQUMLDB-UHFFFAOYSA-N 1 0 398.551 4.089 20 0 GIADRO CCCCOc1ccc([C@H](C)NC(=O)NCc2ccc3c[nH+]cn3c2)cc1OC ZINC000457884095 822928373 /nfs/dbraw/zinc/92/83/73/822928373.db2.gz XWOOSKAIWJBYAU-INIZCTEOSA-N 1 0 396.491 4.082 20 0 GIADRO COc1cccc([C@H]2C[C@H](N(C)C(=O)NC[C@@H](c3ccc(F)cc3)[NH+](C)C)C2)c1 ZINC000457891528 822929291 /nfs/dbraw/zinc/92/92/91/822929291.db2.gz AXSDNONNTDNFDZ-VCOUNFBDSA-N 1 0 399.510 4.025 20 0 GIADRO CCCC(O)(CCC)CC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000569495406 822929607 /nfs/dbraw/zinc/92/96/07/822929607.db2.gz GSFCSGSGSQLJGH-SFHVURJKSA-N 1 0 380.598 4.058 20 0 GIADRO Cc1cc(F)ccc1-n1ccc(C(=O)N(CC[NH+]2CCCC2)c2ccccc2)n1 ZINC000569498628 822930055 /nfs/dbraw/zinc/93/00/55/822930055.db2.gz UNRSNKYDRVKUFO-UHFFFAOYSA-N 1 0 392.478 4.062 20 0 GIADRO Cc1ccc([C@@H](C)NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)c(C)c1 ZINC000457898074 822930536 /nfs/dbraw/zinc/93/05/36/822930536.db2.gz AKVVNJYASRNTSX-MRXNPFEDSA-N 1 0 385.474 4.423 20 0 GIADRO CCc1cc[n+](C(C(=O)c2ccc(CC(C)C)cc2)C(=S)NC2CC2)cc1 ZINC000055011263 822930778 /nfs/dbraw/zinc/93/07/78/822930778.db2.gz UZVJFSOXDLLXKZ-UHFFFAOYSA-O 1 0 381.565 4.426 20 0 GIADRO O=S(=O)(CCC[NH2+]Cc1ccccc1OCC1CC1)c1ccc(Cl)cc1 ZINC000569509620 822931783 /nfs/dbraw/zinc/93/17/83/822931783.db2.gz YJDWJFVDHOVVHN-UHFFFAOYSA-N 1 0 393.936 4.082 20 0 GIADRO C[C@H](C(=O)Nc1ccccc1Br)[N@H+](C)CCc1ccc(F)cc1 ZINC000055024502 822931897 /nfs/dbraw/zinc/93/18/97/822931897.db2.gz UUUDMZRURJNQHL-CYBMUJFWSA-N 1 0 379.273 4.090 20 0 GIADRO Cc1ccc(CNC(=O)C2CC[NH+](Cc3ccc(OC(F)F)cc3)CC2)cc1 ZINC000175318627 822933701 /nfs/dbraw/zinc/93/37/01/822933701.db2.gz ZYVUKUTWAUTWRW-UHFFFAOYSA-N 1 0 388.458 4.125 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCC1)N1CCC(c2ccc(O)cc2)CC1 ZINC000055046484 822934186 /nfs/dbraw/zinc/93/41/86/822934186.db2.gz JISMLWLQIQYJPS-UHFFFAOYSA-N 1 0 393.531 4.077 20 0 GIADRO O=C(Cc1ccc(F)cc1Br)NC1CC[NH+](C2CCCCC2)CC1 ZINC000186673398 822934577 /nfs/dbraw/zinc/93/45/77/822934577.db2.gz UCZMXSTVFPYEGL-UHFFFAOYSA-N 1 0 397.332 4.044 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)N2CCC(c3ccc(O)cc3)CC2)cc1 ZINC000055049604 822935097 /nfs/dbraw/zinc/93/50/97/822935097.db2.gz ZSMVNGSDFSGMLJ-UHFFFAOYSA-N 1 0 395.547 4.323 20 0 GIADRO COc1ccc(F)cc1C[NH2+]C1(c2cccc(Br)c2)CCOCC1 ZINC000055055596 822935627 /nfs/dbraw/zinc/93/56/27/822935627.db2.gz OCYGIPDWKNLKDJ-UHFFFAOYSA-N 1 0 394.284 4.392 20 0 GIADRO COc1cc(F)c(F)cc1NC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000569535271 822936345 /nfs/dbraw/zinc/93/63/45/822936345.db2.gz XHXGMPSRDFRBEM-INIZCTEOSA-N 1 0 383.826 4.051 20 0 GIADRO CC(C)OCCOCc1cccc(NC(=O)N[C@H](C)C[NH+]2CCCCCC2)c1 ZINC000186688973 822937682 /nfs/dbraw/zinc/93/76/82/822937682.db2.gz CIHQQEUPVPFKBN-LJQANCHMSA-N 1 0 391.556 4.014 20 0 GIADRO Cc1ccc(-c2ccsc2C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000055148550 822940475 /nfs/dbraw/zinc/94/04/75/822940475.db2.gz KZLKXTFQOUMXJV-UHFFFAOYSA-N 1 0 392.528 4.123 20 0 GIADRO COc1ccc(OC)c(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2OC(C)C)c1 ZINC000055152064 822941300 /nfs/dbraw/zinc/94/13/00/822941300.db2.gz BIWRCBZPGNXPRQ-CVEARBPZSA-N 1 0 386.492 4.169 20 0 GIADRO CC(C)C[C@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1)c1cccs1 ZINC000186710013 822941848 /nfs/dbraw/zinc/94/18/48/822941848.db2.gz OFNDLMFHZBACAH-KRWDZBQOSA-N 1 0 396.553 4.304 20 0 GIADRO CCc1c(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cnn1-c1ccccc1C ZINC000186711642 822942473 /nfs/dbraw/zinc/94/24/73/822942473.db2.gz CRTZOPVQJCSWHE-RTBURBONSA-N 1 0 394.563 4.126 20 0 GIADRO CCCc1csc(C[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)n1 ZINC000569589160 822942735 /nfs/dbraw/zinc/94/27/35/822942735.db2.gz YIESEGWZJGCRDR-IIBYNOLFSA-N 1 0 395.532 4.094 20 0 GIADRO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)C1 ZINC000175353784 822943090 /nfs/dbraw/zinc/94/30/90/822943090.db2.gz ISNZYSLSWUUVRD-HXUWFJFHSA-N 1 0 398.482 4.026 20 0 GIADRO COc1ccc(C[C@@H](C)C[NH+]2CCC(NC(=O)CC3CCCC3)CC2)cc1F ZINC000186721956 822944442 /nfs/dbraw/zinc/94/44/42/822944442.db2.gz JQHZWGIMQDDVPE-QGZVFWFLSA-N 1 0 390.543 4.174 20 0 GIADRO Clc1ccc(C[N@@H+]2CCCN(c3nnc(-c4ccoc4)n3C3CC3)CC2)cc1 ZINC000569614030 822944945 /nfs/dbraw/zinc/94/49/45/822944945.db2.gz NNHSONKXEXMNGA-UHFFFAOYSA-N 1 0 397.910 4.239 20 0 GIADRO C[C@H](NC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1)c1cc[nH]c(=O)c1 ZINC000457969615 822945948 /nfs/dbraw/zinc/94/59/48/822945948.db2.gz YTHJQPUCCBHJMZ-KRWDZBQOSA-N 1 0 396.535 4.112 20 0 GIADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 ZINC000055209348 822946020 /nfs/dbraw/zinc/94/60/20/822946020.db2.gz CCUJZDYXJGBNIZ-CQSZACIVSA-N 1 0 396.318 4.182 20 0 GIADRO C[C@@H](Nc1ccc(C(=O)N2CCCC2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000569625953 822946444 /nfs/dbraw/zinc/94/64/44/822946444.db2.gz WVBRSYFTAQOTQI-DENIHFKCSA-N 1 0 377.532 4.245 20 0 GIADRO C[C@H](Nc1ccc(C(=O)N2CCCC2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000569625956 822946499 /nfs/dbraw/zinc/94/64/99/822946499.db2.gz WVBRSYFTAQOTQI-UGKGYDQZSA-N 1 0 377.532 4.245 20 0 GIADRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)Nc2ccc3c(c2)c2ccccc2n3CC)C1(C)C ZINC000186734795 822947321 /nfs/dbraw/zinc/94/73/21/822947321.db2.gz LTEDLHUHWGKEEO-NFBKMPQASA-N 1 0 379.504 4.285 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)NC[C@H](c2cccnc2)C(C)C)CC1 ZINC000175365262 822947508 /nfs/dbraw/zinc/94/75/08/822947508.db2.gz ZUTZRUXVKXWKNJ-QHCPKHFHSA-N 1 0 394.563 4.093 20 0 GIADRO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H](C)CN1CCCCCC1 ZINC000186737603 822947542 /nfs/dbraw/zinc/94/75/42/822947542.db2.gz BVLWPQRLSSUKFL-HOTGVXAUSA-N 1 0 385.474 4.277 20 0 GIADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C)c(NC(=O)Nc2ccccc2)c1 ZINC000569637740 822948612 /nfs/dbraw/zinc/94/86/12/822948612.db2.gz IRVUWCCAOOPZLQ-FQEVSTJZSA-N 1 0 394.519 4.243 20 0 GIADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CCC(OCC3CCCC3)CC2)C1 ZINC000175370609 822949397 /nfs/dbraw/zinc/94/93/97/822949397.db2.gz VZJISYXWXKZYNM-WOJBJXKFSA-N 1 0 393.616 4.125 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)NC(C)(C)c1ncc(C)s1)c1ccsc1 ZINC000175371585 822949701 /nfs/dbraw/zinc/94/97/01/822949701.db2.gz NPKXBKVNLJMSEC-OAHLLOKOSA-N 1 0 380.583 4.130 20 0 GIADRO COc1ccc(CCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000055293698 822950196 /nfs/dbraw/zinc/95/01/96/822950196.db2.gz QUBYUIOBXBDHQR-UHFFFAOYSA-N 1 0 386.923 4.062 20 0 GIADRO CC(C)c1ccc(-c2noc(CCC(=O)NCCC[N@@H+]3CCCC[C@@H]3C)n2)cc1 ZINC000055293137 822950207 /nfs/dbraw/zinc/95/02/07/822950207.db2.gz XXLJSPCLCVLPSY-SFHVURJKSA-N 1 0 398.551 4.173 20 0 GIADRO Cc1cnc([C@H](C)C[NH2+][C@H](C)CC(=O)N(C)Cc2ccccc2Cl)s1 ZINC000186766530 822951691 /nfs/dbraw/zinc/95/16/91/822951691.db2.gz ZWVHPIAPOXUOEG-ZIAGYGMSSA-N 1 0 379.957 4.235 20 0 GIADRO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CCC(=O)Nc1ccccc1Cl ZINC000175378542 822951813 /nfs/dbraw/zinc/95/18/13/822951813.db2.gz NJDOXKMFPNYCDV-SXBQZSJRSA-N 1 0 378.925 4.099 20 0 GIADRO O=C(Nc1cc(F)ccc1SCC(F)F)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000175378880 822952053 /nfs/dbraw/zinc/95/20/53/822952053.db2.gz WKFQLSFWEREUTD-CYBMUJFWSA-N 1 0 387.471 4.133 20 0 GIADRO Cc1cc(C(=O)C(C(=S)NCc2cccs2)[n+]2cccc(C)c2)c(C)[nH]1 ZINC000055349730 822953845 /nfs/dbraw/zinc/95/38/45/822953845.db2.gz LFSDWLDTMKTUKS-UHFFFAOYSA-O 1 0 384.550 4.018 20 0 GIADRO CSc1ccc([C@@H](CNC(=O)NCc2cccc3cccnc32)[NH+](C)C)cc1 ZINC000458052921 822953934 /nfs/dbraw/zinc/95/39/34/822953934.db2.gz FLRUZJYWBAAGJZ-HXUWFJFHSA-N 1 0 394.544 4.059 20 0 GIADRO COc1cc(C)c(NC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1F ZINC000186780788 822954378 /nfs/dbraw/zinc/95/43/78/822954378.db2.gz LMQMMCRJHVDFCV-INIZCTEOSA-N 1 0 385.483 4.490 20 0 GIADRO Cc1ccc(-c2cnc(-c3ccccc3C(=O)N[C@H]3C[NH2+]CC[C@H]3C)o2)cc1 ZINC000186783544 822954619 /nfs/dbraw/zinc/95/46/19/822954619.db2.gz BRVBEXBFDVXMCR-UZLBHIALSA-N 1 0 375.472 4.045 20 0 GIADRO CC(C)c1c(NC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)cnn1-c1ccccc1 ZINC000569679694 822954772 /nfs/dbraw/zinc/95/47/72/822954772.db2.gz KOBSFVZZEHLFEY-SFHVURJKSA-N 1 0 395.551 4.334 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCO2)C(=O)Nc1ccccc1C(F)(F)F ZINC000055375311 822955837 /nfs/dbraw/zinc/95/58/37/822955837.db2.gz BPEIAWALHKGLSE-NWDGAFQWSA-N 1 0 380.366 4.112 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCO2)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000055375101 822955875 /nfs/dbraw/zinc/95/58/75/822955875.db2.gz MMLMABKBMBHKIW-DLBZAZTESA-N 1 0 395.503 4.083 20 0 GIADRO CCC(CC)c1cc(CNC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)on1 ZINC000175393069 822957140 /nfs/dbraw/zinc/95/71/40/822957140.db2.gz XWBUQYCIMDUHDV-UHFFFAOYSA-N 1 0 398.551 4.350 20 0 GIADRO O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+]Cc1cc2ccccc2nc1N1CCCCC1 ZINC000569710688 822957752 /nfs/dbraw/zinc/95/77/52/822957752.db2.gz UQEVOILUQZIBQR-NRFANRHFSA-N 1 0 388.515 4.493 20 0 GIADRO CC(C)c1c(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cnn1-c1ccc(Cl)cc1 ZINC000569720423 822958899 /nfs/dbraw/zinc/95/88/99/822958899.db2.gz CYICZZAVEXVOGE-WKILWMFISA-N 1 0 388.943 4.144 20 0 GIADRO CC(C)[N@@H+]1CC[C@@H](CNCc2csc(COc3ccc(Cl)cc3)n2)C1 ZINC000569723232 822959096 /nfs/dbraw/zinc/95/90/96/822959096.db2.gz YPPYYPJLARDFKJ-HNNXBMFYSA-N 1 0 379.957 4.195 20 0 GIADRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)NC1CCC(C(F)F)CC1 ZINC000458113375 822959200 /nfs/dbraw/zinc/95/92/00/822959200.db2.gz SSCYNPMUOOPIOD-FHERZECASA-N 1 0 385.524 4.083 20 0 GIADRO C[C@@H]1[C@H](NC(=O)N2CC[C@@H](C(F)(F)F)C2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000569726323 822959417 /nfs/dbraw/zinc/95/94/17/822959417.db2.gz SZMFSEYYARJAKY-DJIMGWMZSA-N 1 0 383.458 4.022 20 0 GIADRO C[N@@H+]1CCCN(c2ccc(NC(=O)c3cc(Cl)cc4cccnc43)cc2)CC1 ZINC000055418003 822959574 /nfs/dbraw/zinc/95/95/74/822959574.db2.gz CFVODLAAIHRQLI-UHFFFAOYSA-N 1 0 394.906 4.282 20 0 GIADRO CCC(CC)c1cc(CNC(=O)NCc2ccccc2C[N@H+](C)C(C)C)on1 ZINC000175401102 822959706 /nfs/dbraw/zinc/95/97/06/822959706.db2.gz GTVQDZISHKQSER-UHFFFAOYSA-N 1 0 386.540 4.418 20 0 GIADRO Cc1nccn1C[C@H](C)CNC(=O)N[C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000458126200 822960527 /nfs/dbraw/zinc/96/05/27/822960527.db2.gz BUOFMNBUKMZWNM-KZULUSFZSA-N 1 0 378.879 4.071 20 0 GIADRO COc1cccc(Oc2ccc(NC(=O)N(C)[C@H]3CC[N@H+](C)[C@H](C)C3)cc2)c1 ZINC000175407583 822961277 /nfs/dbraw/zinc/96/12/77/822961277.db2.gz CXDCVVPCANPJMK-AEFFLSMTSA-N 1 0 383.492 4.434 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)N[C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000458145589 822962373 /nfs/dbraw/zinc/96/23/73/822962373.db2.gz NIBNJSXJRJHLIE-QGZVFWFLSA-N 1 0 383.483 4.085 20 0 GIADRO COc1c(F)cc(NC(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1F ZINC000175411662 822962359 /nfs/dbraw/zinc/96/23/59/822962359.db2.gz WMSMUJKYSKOWIX-YVEFUNNKSA-N 1 0 395.475 4.240 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)N2CC(C)(C)[C@H]2c2ccncc2)[NH+]2CCCC2)cc1 ZINC000458158581 822963619 /nfs/dbraw/zinc/96/36/19/822963619.db2.gz VRMREIZYRRJGRU-FGZHOGPDSA-N 1 0 392.547 4.320 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1nc(-c2ccccc2)cs1 ZINC000175415955 822963755 /nfs/dbraw/zinc/96/37/55/822963755.db2.gz DUGUPEDYEQMFQN-IBGZPJMESA-N 1 0 391.540 4.404 20 0 GIADRO C[N@@H+]1CCC[C@H](CCNC(=O)CCCCc2ccc(Br)cc2)C1 ZINC000458167260 822964377 /nfs/dbraw/zinc/96/43/77/822964377.db2.gz MKKIIXYVVLADCV-QGZVFWFLSA-N 1 0 381.358 4.010 20 0 GIADRO Cc1nc2ccc(CNc3ccc(Cl)c(C[N@H+](C)CCO)c3)cc2s1 ZINC000569762030 822965143 /nfs/dbraw/zinc/96/51/43/822965143.db2.gz JGDVAHDQRSTODJ-UHFFFAOYSA-N 1 0 375.925 4.294 20 0 GIADRO CC(C)(C)OC(=O)c1ccc(C[N@@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)cc1 ZINC000569764863 822965409 /nfs/dbraw/zinc/96/54/09/822965409.db2.gz ZSMPVYZRIJZPFI-DEOSSOPVSA-N 1 0 399.506 4.208 20 0 GIADRO COc1ccc(C[C@H](C)C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)cc1F ZINC000186845483 822966496 /nfs/dbraw/zinc/96/64/96/822966496.db2.gz KHFZPACWMVPDJA-PXNSSMCTSA-N 1 0 379.516 4.063 20 0 GIADRO COc1ccc(C[C@@H](C)C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)cc1F ZINC000186845533 822966549 /nfs/dbraw/zinc/96/65/49/822966549.db2.gz KHFZPACWMVPDJA-YLJYHZDGSA-N 1 0 379.516 4.063 20 0 GIADRO CCCOc1ccc(C[NH2+]Cc2cc(C)nc(N3CCCC3)c2)cc1OCC ZINC000569771239 822966625 /nfs/dbraw/zinc/96/66/25/822966625.db2.gz RXIVBUPVMQAPQZ-UHFFFAOYSA-N 1 0 383.536 4.468 20 0 GIADRO Cc1cc(NC(=O)c2[nH]c3ccc(F)cc3c2Cl)ccc1OCC[NH+](C)C ZINC000458189005 822966715 /nfs/dbraw/zinc/96/67/15/822966715.db2.gz CUHVETXZHGCJSH-UHFFFAOYSA-N 1 0 389.858 4.462 20 0 GIADRO Cc1cc(NC(=O)c2cccc(F)c2Br)ccc1OCC[NH+](C)C ZINC000458190713 822966920 /nfs/dbraw/zinc/96/69/20/822966920.db2.gz AKEACCCKPXIGIC-UHFFFAOYSA-N 1 0 395.272 4.089 20 0 GIADRO Cc1cc(NC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)ccc1OCC[NH+](C)C ZINC000458190394 822966924 /nfs/dbraw/zinc/96/69/24/822966924.db2.gz FATGLWQHTNFVAG-UHFFFAOYSA-N 1 0 384.524 4.017 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)c1cnc(-c2ccsc2)s1 ZINC000458195694 822967370 /nfs/dbraw/zinc/96/73/70/822967370.db2.gz CPSKFLZPAAGHDO-UHFFFAOYSA-N 1 0 377.560 4.137 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)[C@H]1C[C@H]1c1ccccc1OC(F)F ZINC000458196971 822967641 /nfs/dbraw/zinc/96/76/41/822967641.db2.gz FEQJEFKLUKFUKO-IRXDYDNUSA-N 1 0 394.487 4.043 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)F ZINC000458196972 822967694 /nfs/dbraw/zinc/96/76/94/822967694.db2.gz FEQJEFKLUKFUKO-SJORKVTESA-N 1 0 394.487 4.043 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)C[C@H](c1ccccc1)C(F)(F)F ZINC000458197008 822967727 /nfs/dbraw/zinc/96/77/27/822967727.db2.gz FJTHYECYNQOWET-QGZVFWFLSA-N 1 0 384.467 4.375 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)c1cnc(-c2ccccc2F)s1 ZINC000458209338 822969217 /nfs/dbraw/zinc/96/92/17/822969217.db2.gz YMTYGTBTOMMPKA-UHFFFAOYSA-N 1 0 389.521 4.215 20 0 GIADRO Cc1ccc(-c2nc3c(s2)[C@@H]([NH2+]CCCCCS(C)(=O)=O)CCC3)cc1 ZINC000186859006 822969479 /nfs/dbraw/zinc/96/94/79/822969479.db2.gz KFRKEZMTICNSGQ-KRWDZBQOSA-N 1 0 392.590 4.300 20 0 GIADRO C[C@@H](Cc1coc2ccccc12)[NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000569794069 822969962 /nfs/dbraw/zinc/96/99/62/822969962.db2.gz YYJSNTUUPRJGEU-HNAYVOBHSA-N 1 0 390.462 4.366 20 0 GIADRO COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]Cc2ccc(CN3CCCC3=O)cc2)cc1 ZINC000569796161 822970277 /nfs/dbraw/zinc/97/02/77/822970277.db2.gz XNFHCNJICOOCBJ-JJEOQYAHSA-N 1 0 378.516 4.099 20 0 GIADRO CC(C)C(=O)c1ccc([C@H](C)C(=O)N(CC[NH+](C)C)Cc2ccsc2)cc1 ZINC000458219666 822970370 /nfs/dbraw/zinc/97/03/70/822970370.db2.gz IORXXRHYPMSERH-KRWDZBQOSA-N 1 0 386.561 4.281 20 0 GIADRO COc1ccc([C@H]([NH2+]CCCCCS(C)(=O)=O)c2ccccc2Cl)cc1 ZINC000186871996 822972135 /nfs/dbraw/zinc/97/21/35/822972135.db2.gz NZGWFZVGPJWYNN-FQEVSTJZSA-N 1 0 395.952 4.243 20 0 GIADRO O=C(C[NH2+][C@@H]1CCSc2c(Cl)cccc21)N[C@H]1CCOc2ccccc21 ZINC000569816955 822972338 /nfs/dbraw/zinc/97/23/38/822972338.db2.gz DUIZFYXIPIGEQR-SJORKVTESA-N 1 0 388.920 4.107 20 0 GIADRO C[N@@H+]1CCC[C@H](CCNC(=O)[C@@H]2CCCO[C@H]2c2ccc(Cl)cc2Cl)C1 ZINC000458237656 822972393 /nfs/dbraw/zinc/97/23/93/822972393.db2.gz ZIKKTMSNTZWELK-BJZITVGISA-N 1 0 399.362 4.309 20 0 GIADRO COc1ccc([C@H](C)[NH2+]C[C@@H](C2CC2)N(C)Cc2ccccc2)cc1NC(C)=O ZINC000186880788 822973560 /nfs/dbraw/zinc/97/35/60/822973560.db2.gz ZYCPXEADCKHSNI-SBUREZEXSA-N 1 0 395.547 4.215 20 0 GIADRO CC(=O)Nc1ccc(C)c(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)c1 ZINC000186889234 822975270 /nfs/dbraw/zinc/97/52/70/822975270.db2.gz PMWVLLGCDNIAGI-UHFFFAOYSA-N 1 0 393.531 4.259 20 0 GIADRO Cc1nn(-c2cc[nH+]cc2)cc1CNc1cnn(-c2ccc(Cl)cc2)c1C ZINC000569847271 822975538 /nfs/dbraw/zinc/97/55/38/822975538.db2.gz ZSLHKKOOACBFGW-UHFFFAOYSA-N 1 0 378.867 4.335 20 0 GIADRO Cc1cc(NC(=O)c2cccc(-c3noc(C4CC4)n3)c2)ccc1C[NH+](C)C ZINC000458267079 822975677 /nfs/dbraw/zinc/97/56/77/822975677.db2.gz DXSVAYAXZFSCCO-UHFFFAOYSA-N 1 0 376.460 4.236 20 0 GIADRO Cc1ccc(-c2noc(CCC(=O)Nc3ccc(C[NH+](C)C)c(C)c3)n2)cc1F ZINC000458267215 822975698 /nfs/dbraw/zinc/97/56/98/822975698.db2.gz FJKYKQSFFLERQL-UHFFFAOYSA-N 1 0 396.466 4.125 20 0 GIADRO CC(C)[C@@H](CNC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C)c1cccnc1 ZINC000175467748 822976276 /nfs/dbraw/zinc/97/62/76/822976276.db2.gz LCFUJZXMXYHTJE-NFBKMPQASA-N 1 0 394.563 4.127 20 0 GIADRO C[C@@H](Cc1cncc2ccccc21)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000458272047 822976411 /nfs/dbraw/zinc/97/64/11/822976411.db2.gz KNDVLKPSYUBNDX-INIZCTEOSA-N 1 0 395.478 4.132 20 0 GIADRO CSCc1cc(C(=O)Nc2ccc(OCC[NH+](C)C)c(F)c2)ccc1F ZINC000458274316 822976802 /nfs/dbraw/zinc/97/68/02/822976802.db2.gz BDELXEYSDPDXSS-UHFFFAOYSA-N 1 0 380.460 4.021 20 0 GIADRO COc1ccc([C@@H](C)CC(=O)NC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000175472267 822977095 /nfs/dbraw/zinc/97/70/95/822977095.db2.gz XTRYKVWLKKXJRV-IBGZPJMESA-N 1 0 380.532 4.012 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)COc1cccc(Cl)c1 ZINC000055553053 822977565 /nfs/dbraw/zinc/97/75/65/822977565.db2.gz NPEUHQSFQGEIBB-UHFFFAOYSA-N 1 0 376.884 4.078 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)c2coc(C3CCCCC3)n2)cc1F ZINC000458290546 822979020 /nfs/dbraw/zinc/97/90/20/822979020.db2.gz NIIBIRALSFDQNP-UHFFFAOYSA-N 1 0 375.444 4.054 20 0 GIADRO Cc1cc(C)n(Cc2cccc(C(=O)Nc3ccc(C[NH+](C)C)c(C)c3)c2)n1 ZINC000458293158 822979514 /nfs/dbraw/zinc/97/95/14/822979514.db2.gz ULWGQYNQHWZGPL-UHFFFAOYSA-N 1 0 376.504 4.171 20 0 GIADRO Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000186917234 822979959 /nfs/dbraw/zinc/97/99/59/822979959.db2.gz SCVQZCXHYCREDI-OXJNMPFZSA-N 1 0 396.922 4.255 20 0 GIADRO COc1cc(Br)cc(C)c1NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000175485451 822980581 /nfs/dbraw/zinc/98/05/81/822980581.db2.gz RGLJWCBWHNEATQ-HNNXBMFYSA-N 1 0 398.345 4.104 20 0 GIADRO CCCCOc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)cc1OCC ZINC000569889189 822980908 /nfs/dbraw/zinc/98/09/08/822980908.db2.gz PIFLDCQBQZNKLC-IRXDYDNUSA-N 1 0 389.458 4.257 20 0 GIADRO CC[C@H](NC(=O)NC[C@@H](c1ccc(SC)cc1)[NH+](C)C)c1nc(C)cs1 ZINC000458308491 822981431 /nfs/dbraw/zinc/98/14/31/822981431.db2.gz IJRFMAMIEJYYKM-IRXDYDNUSA-N 1 0 392.594 4.227 20 0 GIADRO Cc1nc2ccccc2n1CCC[NH2+][C@H](C)c1ncc(Br)cc1F ZINC000186927199 822981451 /nfs/dbraw/zinc/98/14/51/822981451.db2.gz IXRYPSBQKPYBRS-GFCCVEGCSA-N 1 0 391.288 4.382 20 0 GIADRO CCCOc1ccc([C@H](C)[NH2+][C@@H](C)C2CCS(=O)(=O)CC2)cc1OCCC ZINC000186929810 822982278 /nfs/dbraw/zinc/98/22/78/822982278.db2.gz CZPNFYRDBMQLGH-IRXDYDNUSA-N 1 0 397.581 4.128 20 0 GIADRO Cc1cccc2nc(C3CCN(C(=O)NC4CC(C)(C)[NH2+]C(C)(C)C4)CC3)oc21 ZINC000186935110 822983452 /nfs/dbraw/zinc/98/34/52/822983452.db2.gz OGKNLXYACKURSG-UHFFFAOYSA-N 1 0 398.551 4.334 20 0 GIADRO COc1ccc(C[C@H](C)C[NH2+][C@@H](c2nccn2C)c2cccc(F)c2)cc1F ZINC000186944437 822984571 /nfs/dbraw/zinc/98/45/71/822984571.db2.gz XHFVICQJDIZQKE-YCRPNKLZSA-N 1 0 385.458 4.265 20 0 GIADRO C[NH+](C)CCOc1cccc(CNC(=O)Nc2cccc(C(C)(F)F)c2)c1 ZINC000186946847 822984821 /nfs/dbraw/zinc/98/48/21/822984821.db2.gz PNRQUWCFMQPYQT-UHFFFAOYSA-N 1 0 377.435 4.060 20 0 GIADRO C[C@H](NC(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000175505631 822985546 /nfs/dbraw/zinc/98/55/46/822985546.db2.gz BYFABZMNUMUGAE-FQEVSTJZSA-N 1 0 395.547 4.118 20 0 GIADRO Cn1cccc1[C@H]1CCCN1C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000175507847 822986049 /nfs/dbraw/zinc/98/60/49/822986049.db2.gz MBHKKJUQPJOIGY-POAQFYNOSA-N 1 0 386.565 4.016 20 0 GIADRO CC[C@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1nc(C)cs1 ZINC000175508987 822986621 /nfs/dbraw/zinc/98/66/21/822986621.db2.gz SNKWUESQLCHCGK-QRQLOZEOSA-N 1 0 386.565 4.255 20 0 GIADRO Cc1csc(C(C)(C)NC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)n1 ZINC000175510151 822987004 /nfs/dbraw/zinc/98/70/04/822987004.db2.gz ZGNOEHRFLUGGPT-ZBFHGGJFSA-N 1 0 392.594 4.130 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000186958993 822987175 /nfs/dbraw/zinc/98/71/75/822987175.db2.gz PQRLXQMAEMYGLQ-SFHVURJKSA-N 1 0 395.547 4.132 20 0 GIADRO Cc1cccc(CN(C)C(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)n1 ZINC000458367871 822987783 /nfs/dbraw/zinc/98/77/83/822987783.db2.gz IKMSWOLLRNCEEP-IBGZPJMESA-N 1 0 380.536 4.195 20 0 GIADRO CCO[C@@H]1CCN(C(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCCC2)C[C@@H]1C ZINC000458368254 822987813 /nfs/dbraw/zinc/98/78/13/822987813.db2.gz ISIHXWZSTWXMIX-QKNQBKEWSA-N 1 0 387.568 4.107 20 0 GIADRO CCc1nc([C@H](C)NC(=O)NC[C@@H](c2ccc(SC)cc2)[NH+](C)C)cs1 ZINC000458370311 822987949 /nfs/dbraw/zinc/98/79/49/822987949.db2.gz OXJULDYJTPVHSR-GUYCJALGSA-N 1 0 392.594 4.091 20 0 GIADRO CCc1nc([C@H](C)NC(=O)NC[C@H](c2ccc(SC)cc2)[NH+](C)C)cs1 ZINC000458370313 822987982 /nfs/dbraw/zinc/98/79/82/822987982.db2.gz OXJULDYJTPVHSR-SUMWQHHRSA-N 1 0 392.594 4.091 20 0 GIADRO Cc1cc(NC(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)ccc1Oc1cccnc1 ZINC000569942543 822988147 /nfs/dbraw/zinc/98/81/47/822988147.db2.gz YVPKXQDFDUWEPF-OAQYLSRUSA-N 1 0 394.519 4.424 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)NC2(c3ccccc3F)CC2)[C@@H]1c1cccs1 ZINC000175515171 822988546 /nfs/dbraw/zinc/98/85/46/822988546.db2.gz QCJXDEGKQOATQS-HNAYVOBHSA-N 1 0 387.524 4.259 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCC[C@@H]2c2ccncc2)[C@@H]1c1cccs1 ZINC000175517877 822989122 /nfs/dbraw/zinc/98/91/22/822989122.db2.gz PQJALQWXVCVVTH-QWFCFKBJSA-N 1 0 384.549 4.073 20 0 GIADRO CCOc1cc(C[N@@H+]2CCCO[C@H](C(C)C)C2)ccc1OCC(F)(F)F ZINC000569950995 822989326 /nfs/dbraw/zinc/98/93/26/822989326.db2.gz SHWDDPFNEHAVPA-SFHVURJKSA-N 1 0 375.431 4.273 20 0 GIADRO O=C(NC(c1ccccc1)c1ccccc1)NC1CC[NH+](C2CCCC2)CC1 ZINC000175521392 822989977 /nfs/dbraw/zinc/98/99/77/822989977.db2.gz JLTMRYINCYIAAK-UHFFFAOYSA-N 1 0 377.532 4.482 20 0 GIADRO CC(C)(C)[NH+]1CCC(NC(=O)Nc2ccc(OC(F)F)c3cccnc23)CC1 ZINC000186975823 822990590 /nfs/dbraw/zinc/99/05/90/822990590.db2.gz BDLOWKPGUDEWFC-UHFFFAOYSA-N 1 0 392.450 4.221 20 0 GIADRO c1c(C[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000569972487 822991516 /nfs/dbraw/zinc/99/15/16/822991516.db2.gz YXYAUEHIXPGLGU-OFNKIYASSA-N 1 0 388.515 4.325 20 0 GIADRO c1nn(-c2ccccc2)cc1CC[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000569971315 822991574 /nfs/dbraw/zinc/99/15/74/822991574.db2.gz RCQZTWNMICOZTK-HSZRJFAPSA-N 1 0 386.543 4.202 20 0 GIADRO c1c(C[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000569972486 822991585 /nfs/dbraw/zinc/99/15/85/822991585.db2.gz YXYAUEHIXPGLGU-NZQKXSOJSA-N 1 0 388.515 4.325 20 0 GIADRO C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C[NH2+][C@@H](c1ccccc1)C(C)(C)CO ZINC000569972935 822991822 /nfs/dbraw/zinc/99/18/22/822991822.db2.gz PQDONYPYJYVQET-CYFREDJKSA-N 1 0 394.559 4.163 20 0 GIADRO O=C(Cc1cccs1)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000175531994 822992156 /nfs/dbraw/zinc/99/21/56/822992156.db2.gz MRWCMBPOUKGNTD-KRWDZBQOSA-N 1 0 396.478 4.204 20 0 GIADRO CCCC[N@H+](C)C[C@H](C)NC(=O)Cc1csc(-c2ccccc2Cl)n1 ZINC000569978543 822992612 /nfs/dbraw/zinc/99/26/12/822992612.db2.gz BYRMFKZSVPYPPB-AWEZNQCLSA-N 1 0 379.957 4.243 20 0 GIADRO O=C(CC1CCCC1)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000175534045 822992618 /nfs/dbraw/zinc/99/26/18/822992618.db2.gz BWCODOCBWQHXRX-IBGZPJMESA-N 1 0 382.470 4.480 20 0 GIADRO CCOCCOc1ccc(Cl)cc1NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000569986486 822993727 /nfs/dbraw/zinc/99/37/27/822993727.db2.gz XQLPRMGJTCRDNL-UHFFFAOYSA-N 1 0 390.911 4.112 20 0 GIADRO C[NH+](C)CCOc1ccccc1CNC(=O)Nc1cccc(C(C)(F)F)c1 ZINC000186994937 822993934 /nfs/dbraw/zinc/99/39/34/822993934.db2.gz ZKADNAYNVVDYJG-UHFFFAOYSA-N 1 0 377.435 4.060 20 0 GIADRO CC(C)C[C@@H](NC(=O)C[NH2+]C1(c2ccc(F)cc2)CCOCC1)c1ccccc1 ZINC000569995798 822994440 /nfs/dbraw/zinc/99/44/40/822994440.db2.gz NEEDEWAHUIEXSD-JOCHJYFZSA-N 1 0 398.522 4.325 20 0 GIADRO Cc1c(C)c(C)c(C[NH2+][C@H]2CCCc3ccc(S(N)(=O)=O)cc32)c(C)c1C ZINC000570012597 822996726 /nfs/dbraw/zinc/99/67/26/822996726.db2.gz QBZLVRAEIDPQKF-QFIPXVFZSA-N 1 0 386.561 4.043 20 0 GIADRO COCC[N@H+](C)CCCC1CCN(C(=O)Nc2cccc(C(C)(F)F)c2)CC1 ZINC000187020576 822998821 /nfs/dbraw/zinc/99/88/21/822998821.db2.gz FFAJDXJGGAFKTC-UHFFFAOYSA-N 1 0 397.510 4.401 20 0 GIADRO Cc1cc2c(cc1C)[C@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)CCS2 ZINC000187025149 822999869 /nfs/dbraw/zinc/99/98/69/822999869.db2.gz QQTJAVDPERVZTD-HXUWFJFHSA-N 1 0 384.545 4.097 20 0 GIADRO O=C(Nc1ccc(OC2CCCC2)c(Cl)c1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000175573907 823000445 /nfs/dbraw/zinc/00/04/45/823000445.db2.gz ZXEYWECBALKMAG-INIZCTEOSA-N 1 0 375.900 4.139 20 0 GIADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000175574253 823000484 /nfs/dbraw/zinc/00/04/84/823000484.db2.gz VAZHQXZDNOSPGQ-OALUTQOASA-N 1 0 391.581 4.018 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](c1ccc(F)cc1)N(C)C)c1ncc(Br)cc1F ZINC000187031898 823001019 /nfs/dbraw/zinc/00/10/19/823001019.db2.gz INTSOMIJKYPADO-BZNIZROVSA-N 1 0 384.268 4.076 20 0 GIADRO Cc1csc([C@H](NC(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)C2CC2)n1 ZINC000175578476 823001186 /nfs/dbraw/zinc/00/11/86/823001186.db2.gz SKTRLYKMGCQTAT-VQIMIIECSA-N 1 0 386.565 4.112 20 0 GIADRO CC[N@H+](CCC1CCN(c2nnc(-c3cccnc3)n2C2CC2)CC1)CC1CC1 ZINC000570052459 823001208 /nfs/dbraw/zinc/00/12/08/823001208.db2.gz TWXMNKDZDHIAQW-UHFFFAOYSA-N 1 0 394.567 4.013 20 0 GIADRO CC1(C)OCc2cc(C[NH2+]Cc3cc(Cl)c4c(c3)OCCO4)ccc2O1 ZINC000187035208 823001568 /nfs/dbraw/zinc/00/15/68/823001568.db2.gz DWERPLLBSUISEO-UHFFFAOYSA-N 1 0 375.852 4.046 20 0 GIADRO O=C(N[C@H]1CCc2ccc(-c3ccccc3)cc21)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000187034549 823001666 /nfs/dbraw/zinc/00/16/66/823001666.db2.gz KGXVXEFQEVALFI-BJKOFHAPSA-N 1 0 390.527 4.101 20 0 GIADRO COc1cccc([C@H](C)[NH+]2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)c1 ZINC000175583363 823002097 /nfs/dbraw/zinc/00/20/97/823002097.db2.gz HPNVYKDAFOUHJY-KRWDZBQOSA-N 1 0 384.495 4.232 20 0 GIADRO COc1cccc([C@H](C)[NH+]2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)c1 ZINC000175584758 823002284 /nfs/dbraw/zinc/00/22/84/823002284.db2.gz BCCGSZHLMHZVJM-AWEZNQCLSA-N 1 0 388.895 4.466 20 0 GIADRO COc1ccc([C@@H]2CCN(C(=O)N[C@@H](C[NH3+])c3ccc4ccccc4c3)C2)cc1 ZINC000570068216 823002815 /nfs/dbraw/zinc/00/28/15/823002815.db2.gz CLZZEBHBSKJCKG-GGAORHGYSA-N 1 0 389.499 4.047 20 0 GIADRO CSc1ccc(-c2noc([C@@]34CCC[C@@H]3C[N@H+](Cc3ccccc3)C4)n2)nc1 ZINC000570070662 823003033 /nfs/dbraw/zinc/00/30/33/823003033.db2.gz QUZHELXFKWGVCW-VGOFRKELSA-N 1 0 392.528 4.407 20 0 GIADRO CC1(C)OCc2cc(C[NH2+]Cc3ccc(NC(=O)c4ccco4)cc3)ccc2O1 ZINC000187054454 823004383 /nfs/dbraw/zinc/00/43/83/823004383.db2.gz SQXJGWBDSRTQGI-UHFFFAOYSA-N 1 0 392.455 4.467 20 0 GIADRO C[C@@H](C(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1)[NH+]1CCCCCC1 ZINC000175603021 823005002 /nfs/dbraw/zinc/00/50/02/823005002.db2.gz BVCUMVUILGQUIQ-INIZCTEOSA-N 1 0 376.928 4.026 20 0 GIADRO C[C@H]1C[C@H](NC(=O)c2ccccc2CSc2nc3ccccc3[nH]2)CC[N@@H+]1C ZINC000570094464 823005377 /nfs/dbraw/zinc/00/53/77/823005377.db2.gz AFQRQPWZJQKIGH-DOTOQJQBSA-N 1 0 394.544 4.068 20 0 GIADRO COc1ccc(-n2c(C[N@@H+]3CCC[C@H]3[C@H]3CCCO3)nc3ccccc32)cc1 ZINC000570112535 823006744 /nfs/dbraw/zinc/00/67/44/823006744.db2.gz PUEXKLVQCMPERU-FCHUYYIVSA-N 1 0 377.488 4.178 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCc1coc(-c2ccccc2)n1 ZINC000175618380 823007689 /nfs/dbraw/zinc/00/76/89/823007689.db2.gz WFVUYCSJFSREGF-UHFFFAOYSA-N 1 0 392.503 4.135 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1c(F)c(F)cc(F)c1F ZINC000175619998 823007964 /nfs/dbraw/zinc/00/79/64/823007964.db2.gz JZFQAJDSJDTOPE-UHFFFAOYSA-N 1 0 384.373 4.216 20 0 GIADRO Cc1cc(C[NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)cc(N2CCCC2)n1 ZINC000570131679 823008786 /nfs/dbraw/zinc/00/87/86/823008786.db2.gz QDFGVQQLVMBUCZ-QFIPXVFZSA-N 1 0 387.531 4.343 20 0 GIADRO Cc1cccc(CC2(O)CC[NH+](Cc3ccc(C)cc3-c3ccnn3C)CC2)c1 ZINC000570144818 823010209 /nfs/dbraw/zinc/01/02/09/823010209.db2.gz VXDRDZUIBRGCMU-UHFFFAOYSA-N 1 0 389.543 4.274 20 0 GIADRO COc1ccc([C@H](C)N(C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000175634835 823010428 /nfs/dbraw/zinc/01/04/28/823010428.db2.gz ZCMNAZOGCWAROO-IPJJNNNSSA-N 1 0 395.547 4.451 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)Nc2ccc(Oc3cccnc3)c(C)c2)CC1 ZINC000175635311 823010548 /nfs/dbraw/zinc/01/05/48/823010548.db2.gz UVKBJPLOZPDFFQ-UHFFFAOYSA-N 1 0 382.508 4.426 20 0 GIADRO C[C@H](NC(=O)N1CCC(CC[NH+](C)C)CC1)c1cccc(OC(F)(F)F)c1 ZINC000175637748 823010836 /nfs/dbraw/zinc/01/08/36/823010836.db2.gz GQWYFLQEQDYVBJ-AWEZNQCLSA-N 1 0 387.446 4.020 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)N[C@@H](C)c2cccc(OC(F)(F)F)c2)CC1 ZINC000175639404 823011148 /nfs/dbraw/zinc/01/11/48/823011148.db2.gz SXEKMTMCTXPSRB-AWEZNQCLSA-N 1 0 387.446 4.162 20 0 GIADRO C[C@H]1CN(C)CCN1C(=O)c1sc2cccc(F)c2c1COc1ccccc1 ZINC000570167833 823011657 /nfs/dbraw/zinc/01/16/57/823011657.db2.gz LNNLPTLDEOFWKL-HNNXBMFYSA-N 1 0 398.503 4.396 20 0 GIADRO Cc1ccc([C@H](CN[C@@H](C)c2ncc(Br)cc2F)[NH+](C)C)cc1 ZINC000187109942 823011661 /nfs/dbraw/zinc/01/16/61/823011661.db2.gz WPQJTFSJIXRRFW-GUYCJALGSA-N 1 0 380.305 4.245 20 0 GIADRO COc1c(Br)cccc1CNCc1cccc(C[NH+]2CCCC2)c1 ZINC000187110198 823011820 /nfs/dbraw/zinc/01/18/20/823011820.db2.gz KUDVRRUGFMAPLL-UHFFFAOYSA-N 1 0 389.337 4.343 20 0 GIADRO COc1cc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)ccc1OCC(C)C ZINC000187111437 823012116 /nfs/dbraw/zinc/01/21/16/823012116.db2.gz NZYIEXMOCVCZSG-QGZVFWFLSA-N 1 0 396.531 4.490 20 0 GIADRO CC(C)(C)c1cc(NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)n(C(C)(C)C)n1 ZINC000570179218 823012722 /nfs/dbraw/zinc/01/27/22/823012722.db2.gz XILSPDIJMGGVBJ-INIZCTEOSA-N 1 0 392.613 4.092 20 0 GIADRO CCc1ccc(-c2nc(CN(C)C3C[C@H]4CC[C@@H](C3)[N@H+]4CCOC)cs2)cc1 ZINC000570184504 823013190 /nfs/dbraw/zinc/01/31/90/823013190.db2.gz IQCWWHVDLVVTSC-CBQGHPETSA-N 1 0 399.604 4.446 20 0 GIADRO C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]Cc1ccncc1OCc1ccccc1 ZINC000570189528 823013657 /nfs/dbraw/zinc/01/36/57/823013657.db2.gz VYACVOZKXHLHKD-IBGZPJMESA-N 1 0 389.499 4.192 20 0 GIADRO Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2COc3ccc(F)cc3C2)c(Cl)c1 ZINC000570196702 823014373 /nfs/dbraw/zinc/01/43/73/823014373.db2.gz CPGNOFGSXNIPFA-CJNGLKHVSA-N 1 0 376.859 4.098 20 0 GIADRO OC[C@@]1(Cc2ccc(F)cc2)CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000570196945 823014435 /nfs/dbraw/zinc/01/44/35/823014435.db2.gz MAHFIWUKBYGDLX-HXUWFJFHSA-N 1 0 397.412 4.194 20 0 GIADRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1csc(-c2ccc(F)cc2)n1 ZINC000175660398 823014771 /nfs/dbraw/zinc/01/47/71/823014771.db2.gz YAKYJKNPQBIKSS-UHFFFAOYSA-N 1 0 389.521 4.215 20 0 GIADRO c1ccc(C[N@H+]2CCCC[C@H](CN[C@H](c3ccccc3)c3cncnc3)C2)cc1 ZINC000570205917 823015136 /nfs/dbraw/zinc/01/51/36/823015136.db2.gz ROYWWNGDMQWYSA-RCZVLFRGSA-N 1 0 386.543 4.458 20 0 GIADRO CN1C(=O)CCc2cc(C[NH2+]Cc3cccc(NC(=O)C4CCCC4)c3)ccc21 ZINC000187136628 823016008 /nfs/dbraw/zinc/01/60/08/823016008.db2.gz GMSDQCGLSXKOPN-UHFFFAOYSA-N 1 0 391.515 4.014 20 0 GIADRO O=C(N[C@@H]1CCC[C@H](c2nc3ccccc3[nH]2)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000570216378 823016066 /nfs/dbraw/zinc/01/60/66/823016066.db2.gz PYCOSVSAWHGRPT-FVJLSDCUSA-N 1 0 380.536 4.112 20 0 GIADRO COc1ccc(Cl)c(NC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000175667440 823016285 /nfs/dbraw/zinc/01/62/85/823016285.db2.gz VVCXDICLWQMAQI-KRWDZBQOSA-N 1 0 387.911 4.334 20 0 GIADRO O=C(NC1CC[NH+](Cc2cccnc2)CC1)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000175670356 823016930 /nfs/dbraw/zinc/01/69/30/823016930.db2.gz HQDCKOGCVIELGZ-ZEQRLZLVSA-N 1 0 385.511 4.119 20 0 GIADRO CCOC1(C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CCCC1 ZINC000570228659 823016914 /nfs/dbraw/zinc/01/69/14/823016914.db2.gz IHOGVHXYVZMQPT-UHFFFAOYSA-N 1 0 390.531 4.432 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCCc2ccc3[nH]ccc3c2)C1 ZINC000570239191 823017748 /nfs/dbraw/zinc/01/77/48/823017748.db2.gz XHZLZMCRCJXTRM-UYAOXDASSA-N 1 0 382.552 4.006 20 0 GIADRO COC[C@H]([NH2+][C@H](C)c1cc(OC)c(OC)c(OC)c1)c1cccc(Cl)c1 ZINC000570241481 823017878 /nfs/dbraw/zinc/01/78/78/823017878.db2.gz IBEMRNCNRBKNDB-DYVFJYSZSA-N 1 0 379.884 4.404 20 0 GIADRO CSc1ccc([C@H](CNC(=O)c2ccc(NC(=O)C(C)C)cc2)[NH+](C)C)cc1 ZINC000570240720 823017989 /nfs/dbraw/zinc/01/79/89/823017989.db2.gz USMJJTHBBQTMNH-FQEVSTJZSA-N 1 0 399.560 4.036 20 0 GIADRO CCN(C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[C@H](C)Cc1ccsc1 ZINC000187151624 823018053 /nfs/dbraw/zinc/01/80/53/823018053.db2.gz ONAIPQPIGRRUIW-GOSISDBHSA-N 1 0 385.577 4.375 20 0 GIADRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cc(NC(=O)NC(C)(C)C)ccc1Cl ZINC000570242788 823018139 /nfs/dbraw/zinc/01/81/39/823018139.db2.gz MZOSXECRXJXAQN-AWEZNQCLSA-N 1 0 396.963 4.110 20 0 GIADRO Cc1cc(SC(C)(C)C)ccc1NC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000175677517 823018203 /nfs/dbraw/zinc/01/82/03/823018203.db2.gz WTLXDCIHZXQPPJ-UHFFFAOYSA-N 1 0 391.581 4.214 20 0 GIADRO C[C@H]1C[N@H+](CCOc2ccc(Oc3ccccc3)cc2)CC2(CCOCC2)O1 ZINC000570244298 823018607 /nfs/dbraw/zinc/01/86/07/823018607.db2.gz XESBFDXIVLBUOK-IBGZPJMESA-N 1 0 383.488 4.128 20 0 GIADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]C[C@@H](C)COCc1ccccc1 ZINC000187158179 823018818 /nfs/dbraw/zinc/01/88/18/823018818.db2.gz VUWCFTYNICJYHU-MRXNPFEDSA-N 1 0 395.952 4.076 20 0 GIADRO O[C@@H](C[C@@H]1CCC[N@@H+]1Cc1ccc(OCc2ccccc2F)nc1)c1ccco1 ZINC000187162482 823019254 /nfs/dbraw/zinc/01/92/54/823019254.db2.gz OWLLMJZGMIKXSP-FPOVZHCZSA-N 1 0 396.462 4.481 20 0 GIADRO CC(=O)Nc1ccc(C)c(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000187162650 823019523 /nfs/dbraw/zinc/01/95/23/823019523.db2.gz JLSIWOUSYJCPNQ-GCJKJVERSA-N 1 0 393.531 4.079 20 0 GIADRO CC[N@H+](C)Cc1cccc(CN[C@@H](C)c2ncc(Br)cc2F)c1 ZINC000187164341 823019687 /nfs/dbraw/zinc/01/96/87/823019687.db2.gz ZYILZNSQNVSWHM-ZDUSSCGKSA-N 1 0 380.305 4.286 20 0 GIADRO CC[C@@H](C)n1nc(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)cc1C ZINC000570254759 823019975 /nfs/dbraw/zinc/01/99/75/823019975.db2.gz ODORBVRLLFIEEE-NQIIRXRSSA-N 1 0 382.552 4.195 20 0 GIADRO COc1c(Br)cccc1C[NH2+][C@@H](c1ccccc1)[C@@H]1CCCO1 ZINC000187170130 823020232 /nfs/dbraw/zinc/02/02/32/823020232.db2.gz GIIFMRWFYCDWJO-ROUUACIJSA-N 1 0 376.294 4.468 20 0 GIADRO CC[C@@H]([NH2+][C@H]1CCN(c2ncccc2F)C1)c1cccc(Br)c1 ZINC000570260215 823020384 /nfs/dbraw/zinc/02/03/84/823020384.db2.gz NCNSSHCVXQRTRZ-DOTOQJQBSA-N 1 0 378.289 4.303 20 0 GIADRO Cc1cc(NC(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)ccc1OCC(F)(F)F ZINC000570262409 823020637 /nfs/dbraw/zinc/02/06/37/823020637.db2.gz QZKAFJVUDDCOPM-RDJZCZTQSA-N 1 0 399.457 4.322 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)[C@@H]3CC[C@@H](C(F)(F)F)C3)C2)s1 ZINC000570286414 823022437 /nfs/dbraw/zinc/02/24/37/823022437.db2.gz SYSDYDIKRJTWQR-BZUAXINKSA-N 1 0 388.499 4.315 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)N1CC2(CCCC2)c2ccccc21 ZINC000175696826 823022527 /nfs/dbraw/zinc/02/25/27/823022527.db2.gz DWWYRXIQNDHCKS-UHFFFAOYSA-N 1 0 390.531 4.088 20 0 GIADRO Cc1cc(NC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)ccc1NC(=O)c1ccco1 ZINC000175698701 823022794 /nfs/dbraw/zinc/02/27/94/823022794.db2.gz MNVMTJICFPYOSG-SFHVURJKSA-N 1 0 398.507 4.178 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCCc3c[nH]c4cc(F)ccc34)ccc21 ZINC000570288489 823022824 /nfs/dbraw/zinc/02/28/24/823022824.db2.gz LWQZZMFWRIVXLG-OAQYLSRUSA-N 1 0 380.467 4.220 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)CC1 ZINC000175700272 823023228 /nfs/dbraw/zinc/02/32/28/823023228.db2.gz GMQIRCPUFPPWJL-WOJBJXKFSA-N 1 0 384.470 4.191 20 0 GIADRO Cc1ccc(C2(C[NH2+]C3CCC(CS(C)(=O)=O)CC3)CCCC2)c(C)c1 ZINC000570298874 823023398 /nfs/dbraw/zinc/02/33/98/823023398.db2.gz APNIIJVSVXEHHO-UHFFFAOYSA-N 1 0 377.594 4.308 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCc2sccc2C1)c1cccc(OC(F)(F)F)c1 ZINC000175704847 823024046 /nfs/dbraw/zinc/02/40/46/823024046.db2.gz AJLGNWFCGCCUQU-OLZOCXBDSA-N 1 0 398.450 4.271 20 0 GIADRO C[C@H](NCc1ccc(F)c(C[NH+](C)C)c1)c1ncc(Br)cc1F ZINC000187209286 823025392 /nfs/dbraw/zinc/02/53/92/823025392.db2.gz HNNBODSNCYYJGL-NSHDSACASA-N 1 0 384.268 4.035 20 0 GIADRO [NH3+]C[C@H]1CC[C@H](CNC(=O)C2(c3cc(C(F)(F)F)ccc3Cl)CC2)CC1 ZINC000570331090 823026475 /nfs/dbraw/zinc/02/64/75/823026475.db2.gz WFFWRLGLIINZPK-JOCQHMNTSA-N 1 0 388.861 4.272 20 0 GIADRO CCCn1ccc2ccc(NC(=O)NC3CC[NH+](CCOC(C)C)CC3)cc21 ZINC000175718028 823026546 /nfs/dbraw/zinc/02/65/46/823026546.db2.gz LQAHAKJEGVFLMV-UHFFFAOYSA-N 1 0 386.540 4.062 20 0 GIADRO Cc1ccsc1[C@H](Cc1ccccc1)[NH2+][C@@H](C)C1CCS(=O)(=O)CC1 ZINC000187226244 823027510 /nfs/dbraw/zinc/02/75/10/823027510.db2.gz MTAWTMGAFLTAES-LPHOPBHVSA-N 1 0 377.575 4.143 20 0 GIADRO CCCN(CC[NH+]1CCCC1)C(=O)c1cc(C(C)C)nc2c1cnn2C(C)C ZINC000570352310 823028069 /nfs/dbraw/zinc/02/80/69/823028069.db2.gz VFHMUSQLMWQWMX-UHFFFAOYSA-N 1 0 385.556 4.084 20 0 GIADRO Cc1cccc([C@H](NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)C(C)(C)C)c1 ZINC000175729142 823028057 /nfs/dbraw/zinc/02/80/57/823028057.db2.gz QNIXXRWQAIOKAA-QFIPXVFZSA-N 1 0 394.563 4.441 20 0 GIADRO CC1(C)CC[C@@H](C[NH+]2CCC(C(=O)Nc3ccccc3Br)CC2)O1 ZINC000187232822 823028450 /nfs/dbraw/zinc/02/84/50/823028450.db2.gz YVIWVDVBTUGVKO-HNNXBMFYSA-N 1 0 395.341 4.057 20 0 GIADRO Cc1cccc(C(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)c1Br ZINC000187233176 823028486 /nfs/dbraw/zinc/02/84/86/823028486.db2.gz LIZVXXOWURBAQC-RDTXWAMCSA-N 1 0 375.310 4.179 20 0 GIADRO Cc1nc2c(s1)[C@H]([N@H+](C)C[C@H](O)c1ccc(F)c(Br)c1)CCC2 ZINC000187252652 823030902 /nfs/dbraw/zinc/03/09/02/823030902.db2.gz YWNBPRHIXAVGBP-CVEARBPZSA-N 1 0 399.329 4.396 20 0 GIADRO CCN(c1ccccc1)c1ccc(C[NH2+][C@H](C)C2CCS(=O)(=O)CC2)cc1 ZINC000187255331 823031310 /nfs/dbraw/zinc/03/13/10/823031310.db2.gz QFQXDHCBULPKGF-GOSISDBHSA-N 1 0 386.561 4.148 20 0 GIADRO [NH3+]C[C@H](NC(=O)N1CCC(OC2CCCCC2)CC1)c1ccc2ccccc2c1 ZINC000570383219 823031842 /nfs/dbraw/zinc/03/18/42/823031842.db2.gz HVKSDCWDWVOFOF-QHCPKHFHSA-N 1 0 395.547 4.363 20 0 GIADRO C[C@H]([NH2+]Cc1ccccc1N1CCOCC1)c1cccc(OC(F)(F)F)c1 ZINC000175752630 823031954 /nfs/dbraw/zinc/03/19/54/823031954.db2.gz YVIYRDUPQOXPAP-HNNXBMFYSA-N 1 0 380.410 4.273 20 0 GIADRO CN1C(=O)CCc2cc(C[NH2+]C3(c4cccc(Br)c4)CC3)ccc21 ZINC000187259655 823032077 /nfs/dbraw/zinc/03/20/77/823032077.db2.gz DFICOIHBCGJXTI-UHFFFAOYSA-N 1 0 385.305 4.137 20 0 GIADRO CC(C)[C@@H](C(=O)NCc1ccc(Oc2ccccc2C(F)(F)F)nc1)[C@H](C)[NH3+] ZINC000570393883 823032725 /nfs/dbraw/zinc/03/27/25/823032725.db2.gz RZTMNUULVXNOOA-SCLBCKFNSA-N 1 0 395.425 4.128 20 0 GIADRO Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000175757930 823032875 /nfs/dbraw/zinc/03/28/75/823032875.db2.gz NOPWWMRYMUMTLD-CTNGQTDRSA-N 1 0 387.568 4.025 20 0 GIADRO C[C@H](NC(=O)c1cc(F)ccc1Br)[C@H](c1ccccc1)[NH+](C)C ZINC000187266996 823033291 /nfs/dbraw/zinc/03/32/91/823033291.db2.gz KCMFZHMQTQMMIX-YVEFUNNKSA-N 1 0 379.273 4.009 20 0 GIADRO COCCOc1ccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1F ZINC000055726459 823033336 /nfs/dbraw/zinc/03/33/36/823033336.db2.gz AYGLGQCIRWNVES-UHFFFAOYSA-N 1 0 386.467 4.089 20 0 GIADRO COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+]Cc1nc(-c2ccccc2)oc1C ZINC000570405423 823033662 /nfs/dbraw/zinc/03/36/62/823033662.db2.gz WPBFIGXUYXTLLV-OXJNMPFZSA-N 1 0 378.472 4.160 20 0 GIADRO Cc1cccc([C@H](NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c2ccccn2)c1 ZINC000570408780 823034189 /nfs/dbraw/zinc/03/41/89/823034189.db2.gz JGUYUHMVMOBBBQ-VWNXMTODSA-N 1 0 385.511 4.118 20 0 GIADRO CCC(CC)(CNC(=O)N[C@@H]1C[C@@H](C)n2ccnc21)[NH2+][C@H](C)c1ccccc1 ZINC000458380602 823034577 /nfs/dbraw/zinc/03/45/77/823034577.db2.gz URHLILBNOSRFGO-ZHALLVOQSA-N 1 0 383.540 4.098 20 0 GIADRO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000458387613 823035344 /nfs/dbraw/zinc/03/53/44/823035344.db2.gz XPMODGFGXALSEL-NQNKTMCVSA-N 1 0 379.548 4.012 20 0 GIADRO CCS(=O)(=O)c1c(Cl)cccc1CNC1CC[NH+](C2CCCCC2)CC1 ZINC000187278029 823035810 /nfs/dbraw/zinc/03/58/10/823035810.db2.gz PAPQCIOUYOTHNP-UHFFFAOYSA-N 1 0 399.000 4.020 20 0 GIADRO [NH3+][C@@H]1CCc2ncc(NC(=O)N3CCC[C@@H]3c3cccc4ccccc43)cc2C1 ZINC000570424799 823036403 /nfs/dbraw/zinc/03/64/03/823036403.db2.gz AYNGMKYUCILNCO-WZONZLPQSA-N 1 0 386.499 4.420 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC(C)(CC(F)(F)F)C2)CC1 ZINC000458406444 823037267 /nfs/dbraw/zinc/03/72/67/823037267.db2.gz KKKAWHIIFFXXRP-OAHLLOKOSA-N 1 0 383.458 4.196 20 0 GIADRO CCOc1cccc2[nH]cc(CC(=O)NCc3ccccc3C[NH+]3CCCC3)c21 ZINC000187293611 823038263 /nfs/dbraw/zinc/03/82/63/823038263.db2.gz LPUZUBCAUUPHDB-UHFFFAOYSA-N 1 0 391.515 4.021 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)[NH2+]Cc2cc(C)nc(N3CCCC3)c2)cc1 ZINC000570438799 823038606 /nfs/dbraw/zinc/03/86/06/823038606.db2.gz KCARZDYDRXJEAW-SFHVURJKSA-N 1 0 375.520 4.335 20 0 GIADRO CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000175782260 823039222 /nfs/dbraw/zinc/03/92/22/823039222.db2.gz YETAXJCNWVIYJZ-FOIQADDNSA-N 1 0 393.959 4.122 20 0 GIADRO c1ccc(C[N@@H+]2CC[C@@H]3CN(c4nc(-c5ccccc5)ns4)C[C@@H]3C2)cc1 ZINC000570443424 823039465 /nfs/dbraw/zinc/03/94/65/823039465.db2.gz ZLAGMZFUOXIZPS-UXHICEINSA-N 1 0 376.529 4.163 20 0 GIADRO COc1ccc([C@H](CCO)[NH2+][C@H](C)c2cc(Br)cc(C)c2O)cc1 ZINC000187310478 823041271 /nfs/dbraw/zinc/04/12/71/823041271.db2.gz OPBPIOHAWLZHOG-ACJLOTCBSA-N 1 0 394.309 4.246 20 0 GIADRO COc1ccc(-c2ccncc2)cc1CNc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000187311260 823041364 /nfs/dbraw/zinc/04/13/64/823041364.db2.gz CXZJVFNEYGFNAV-UHFFFAOYSA-N 1 0 388.515 4.121 20 0 GIADRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)NCc2ccc(F)c(Cl)c2)[C@H](C(F)(F)F)C1 ZINC000570467482 823041608 /nfs/dbraw/zinc/04/16/08/823041608.db2.gz OVOWDCKIHPOQRQ-VXGBXAGGSA-N 1 0 380.813 4.004 20 0 GIADRO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2cccc(C(=O)Nc3ccccc3)c2C)C1 ZINC000175794470 823041955 /nfs/dbraw/zinc/04/19/55/823041955.db2.gz JAUNBNLDZSFGKX-LJQANCHMSA-N 1 0 394.519 4.195 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCCN(C(=O)CCC(F)(F)F)C1)c1ccc(F)cc1Cl ZINC000570473233 823042851 /nfs/dbraw/zinc/04/28/51/823042851.db2.gz QEUYBPPRIBFOCA-DGCLKSJQSA-N 1 0 380.813 4.463 20 0 GIADRO Cc1ccc([C@H](CNC(=O)c2cc(Br)ccc2C)[NH+](C)C)cc1 ZINC000460920639 823542450 /nfs/dbraw/zinc/54/24/50/823542450.db2.gz HRASEZIGIFINBS-SFHVURJKSA-N 1 0 375.310 4.099 20 0 GIADRO C[C@@H]([NH2+]Cc1cccnc1-n1cccn1)c1cc(Br)ccc1F ZINC000177905740 823544299 /nfs/dbraw/zinc/54/42/99/823544299.db2.gz FMSGLZNANNPSJE-GFCCVEGCSA-N 1 0 375.245 4.020 20 0 GIADRO O=C(Nc1ccc(OC2CCCC2)cc1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000123847081 823545154 /nfs/dbraw/zinc/54/51/54/823545154.db2.gz RMGIKBKBRSNRLD-UHFFFAOYSA-N 1 0 394.519 4.189 20 0 GIADRO C[C@@H](C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1)c1ccc(F)c(F)c1 ZINC000460933875 823545541 /nfs/dbraw/zinc/54/55/41/823545541.db2.gz NYMUKURSRJMEPO-MRXNPFEDSA-N 1 0 384.470 4.118 20 0 GIADRO C[C@H]([NH2+]CC1(c2ccc(Cl)cc2)CCOCC1)c1ccc(-n2cncn2)cc1 ZINC000177919036 823546197 /nfs/dbraw/zinc/54/61/97/823546197.db2.gz WFYZWGWTKNMTJP-KRWDZBQOSA-N 1 0 396.922 4.320 20 0 GIADRO CCC[NH+]1CCC(CNC(=O)N(C)[C@@H](C)c2sc(C(C)C)nc2C)CC1 ZINC000123865995 823547537 /nfs/dbraw/zinc/54/75/37/823547537.db2.gz MCFRGEHDZOTKRO-INIZCTEOSA-N 1 0 380.602 4.399 20 0 GIADRO COC1CCC(CC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)CC1 ZINC000123867145 823547560 /nfs/dbraw/zinc/54/75/60/823547560.db2.gz FXIWAJYRFTXCAH-UHFFFAOYSA-N 1 0 380.532 4.079 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)N[C@H](C)COc1cccc(F)c1)c1ccsc1 ZINC000060610227 823547601 /nfs/dbraw/zinc/54/76/01/823547601.db2.gz ZUWAIFCEQJUKFU-BEFAXECRSA-N 1 0 393.528 4.037 20 0 GIADRO COc1ccc(Cl)cc1[C@@H](C)[NH2+]Cc1ccc(Cn2ccccc2=O)cc1 ZINC000177932159 823547706 /nfs/dbraw/zinc/54/77/06/823547706.db2.gz YCWIFKSHSFSPSZ-MRXNPFEDSA-N 1 0 382.891 4.409 20 0 GIADRO C[C@H](Cc1ccsc1)NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000060610484 823547868 /nfs/dbraw/zinc/54/78/68/823547868.db2.gz JNAPOLNIDGNRNU-QZTJIDSGSA-N 1 0 385.577 4.410 20 0 GIADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C2(c3cccc(C(F)(F)F)c3)CCC2)C1 ZINC000460945845 823548038 /nfs/dbraw/zinc/54/80/38/823548038.db2.gz ADBKEUMSJBDDRH-INIZCTEOSA-N 1 0 382.470 4.364 20 0 GIADRO C[C@@H]([NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccc2c(c1)OCCCO2 ZINC000177938111 823548545 /nfs/dbraw/zinc/54/85/45/823548545.db2.gz UHCKFMGCCWUVEV-CMJOXMDJSA-N 1 0 381.472 4.421 20 0 GIADRO C[N@@H+]1CC[C@@H](CNC(=O)c2cc(F)cc(F)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123898829 823549994 /nfs/dbraw/zinc/54/99/94/823549994.db2.gz HPZMMNYDHCWHPJ-SGTLLEGYSA-N 1 0 382.813 4.180 20 0 GIADRO COCc1ccccc1C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000123905568 823550535 /nfs/dbraw/zinc/55/05/35/823550535.db2.gz ZUTJGVGEPBSJMC-YWZLYKJASA-N 1 0 390.886 4.048 20 0 GIADRO Fc1ccccc1-c1n[nH]cc1C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000123906311 823550663 /nfs/dbraw/zinc/55/06/63/823550663.db2.gz USISFVAUQWVOJJ-UHFFFAOYSA-N 1 0 375.451 4.472 20 0 GIADRO Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NCC[NH+]1CCCCC1 ZINC000060666343 823551307 /nfs/dbraw/zinc/55/13/07/823551307.db2.gz OKWDHRBZFQRRTP-UHFFFAOYSA-N 1 0 388.515 4.063 20 0 GIADRO C[C@H](C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)c1ccsc1 ZINC000123914254 823551375 /nfs/dbraw/zinc/55/13/75/823551375.db2.gz QHMRYGIDVGMFPH-XAYKYTGQSA-N 1 0 380.916 4.453 20 0 GIADRO C[C@H](NC(=O)c1cc(C(F)(F)F)ccc1Br)C(C)(C)C[NH+](C)C ZINC000123921576 823551887 /nfs/dbraw/zinc/55/18/87/823551887.db2.gz NYVAMERGQBJSSX-JTQLQIEISA-N 1 0 395.263 4.174 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)CCc1scnc1C)c1ccccc1Cl ZINC000411150596 823551996 /nfs/dbraw/zinc/55/19/96/823551996.db2.gz AGZOVJAUNREXIZ-KRWDZBQOSA-N 1 0 379.957 4.237 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)NCCOCC(F)(F)F)C1CCCCC1 ZINC000123924693 823552030 /nfs/dbraw/zinc/55/20/30/823552030.db2.gz FXEHNZUJEVYNTG-UHFFFAOYSA-N 1 0 387.446 4.152 20 0 GIADRO CC[C@@H](C(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1)c1ccc(F)cc1 ZINC000460968536 823552668 /nfs/dbraw/zinc/55/26/68/823552668.db2.gz IRVSQNPOPLWANZ-YADHBBJMSA-N 1 0 384.495 4.281 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCN(C(=O)C3CCCCC3)C2)cc1OCC ZINC000123945934 823553999 /nfs/dbraw/zinc/55/39/99/823553999.db2.gz GLZTVPLVEWAWKO-FXAWDEMLSA-N 1 0 388.552 4.316 20 0 GIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2c[nH]cc2-c2ccc(F)cc2)C1 ZINC000460974900 823554064 /nfs/dbraw/zinc/55/40/64/823554064.db2.gz ZJHKEDSRFIQXMN-JXFKEZNVSA-N 1 0 377.463 4.386 20 0 GIADRO c1sc(-c2ccccn2)nc1C[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000123946056 823554127 /nfs/dbraw/zinc/55/41/27/823554127.db2.gz SOLZFPAXYGZECI-UHFFFAOYSA-N 1 0 379.514 4.056 20 0 GIADRO C[N@@H+]1CC[C@@H](CNC(=O)CCc2ccccc2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123956296 823555035 /nfs/dbraw/zinc/55/50/35/823555035.db2.gz WAQZWUASAPHJJV-KKSFZXQISA-N 1 0 392.877 4.360 20 0 GIADRO C[C@H]1CCC[N@H+](CCCCNC(=O)C2(c3ccccc3Br)CC2)C1 ZINC000190249412 823555860 /nfs/dbraw/zinc/55/58/60/823555860.db2.gz FFTUAXFBVZFUMP-INIZCTEOSA-N 1 0 393.369 4.109 20 0 GIADRO Cc1cccc(C)c1NCC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000460996830 823556788 /nfs/dbraw/zinc/55/67/88/823556788.db2.gz ASJGNHBORFJPLP-UHFFFAOYSA-N 1 0 379.548 4.408 20 0 GIADRO C[C@H](CC(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)c1ccncc1 ZINC000123975719 823557273 /nfs/dbraw/zinc/55/72/73/823557273.db2.gz IJFBKSLCYBJDKM-SOIKWTOOSA-N 1 0 389.902 4.177 20 0 GIADRO CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H](CO)Cc1c[nH]c2ccccc12 ZINC000123990420 823558235 /nfs/dbraw/zinc/55/82/35/823558235.db2.gz KXVYUURLKGCIIC-PKOBYXMFSA-N 1 0 393.531 4.202 20 0 GIADRO O[C@@H](C[N@@H+](Cc1ccccc1)CC1CCC2(CC1)OCCO2)c1ccsc1 ZINC000190275164 823558481 /nfs/dbraw/zinc/55/84/81/823558481.db2.gz SBVDOJNWXGNUNN-NRFANRHFSA-N 1 0 387.545 4.217 20 0 GIADRO C[C@@H]1[C@H](C(=O)N2CCC([N@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)C1(F)F ZINC000461012213 823558931 /nfs/dbraw/zinc/55/89/31/823558931.db2.gz KQNNSAQYKZFHKJ-MLGOLLRUSA-N 1 0 390.396 4.029 20 0 GIADRO CCN(c1nnc(C)n1Cc1cccs1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000461013951 823559058 /nfs/dbraw/zinc/55/90/58/823559058.db2.gz ILYKVNZBWMJHTC-PXNSSMCTSA-N 1 0 395.576 4.358 20 0 GIADRO CCOc1c(OC)cc(C[NH2+]Cc2cc(Br)ccc2C)cc1OC ZINC000190296137 823559944 /nfs/dbraw/zinc/55/99/44/823559944.db2.gz XNDXQFZQDSJWML-UHFFFAOYSA-N 1 0 394.309 4.463 20 0 GIADRO COc1cc(OC)c(OC)cc1C[NH2+]Cc1cc(Br)ccc1C ZINC000190298450 823560216 /nfs/dbraw/zinc/56/02/16/823560216.db2.gz DKUBFQGCBQYLMN-UHFFFAOYSA-N 1 0 380.282 4.073 20 0 GIADRO CC(C)c1noc2nc(-c3ccco3)cc(C(=O)N(C)[C@H]3CC[N@H+](C)[C@H](C)C3)c21 ZINC000124018085 823560348 /nfs/dbraw/zinc/56/03/48/823560348.db2.gz PQYCOFZGMPZHIE-CABCVRRESA-N 1 0 396.491 4.161 20 0 GIADRO COc1cc(C[NH2+]CC(C)(C)N(C)C)ccc1OCc1ccc(Cl)cc1 ZINC000060832543 823561018 /nfs/dbraw/zinc/56/10/18/823561018.db2.gz FMIABGMTZDWOQJ-UHFFFAOYSA-N 1 0 376.928 4.357 20 0 GIADRO O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000411269292 823561361 /nfs/dbraw/zinc/56/13/61/823561361.db2.gz NRJGXXUBLUZVLE-MOPGFXCFSA-N 1 0 378.969 4.125 20 0 GIADRO Cc1ccc(OC(F)F)c(C[NH2+]Cc2ccc(C)nc2-n2cc(Cl)cn2)c1 ZINC000190308663 823561351 /nfs/dbraw/zinc/56/13/51/823561351.db2.gz FZJPDVDAGSLCAW-UHFFFAOYSA-N 1 0 392.837 4.429 20 0 GIADRO COC(=O)C1(c2ccccc2)CC[NH+](Cc2ccc(-c3ncco3)cc2F)CC1 ZINC000411275150 823561597 /nfs/dbraw/zinc/56/15/97/823561597.db2.gz JQVRHAFUATXJDM-UHFFFAOYSA-N 1 0 394.446 4.188 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000411278790 823561927 /nfs/dbraw/zinc/56/19/27/823561927.db2.gz ASPRQDAYEDFSSL-MRXNPFEDSA-N 1 0 396.922 4.085 20 0 GIADRO Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000411286924 823562474 /nfs/dbraw/zinc/56/24/74/823562474.db2.gz XOZFWAVFEQYSEK-KSZLIROESA-N 1 0 395.551 4.180 20 0 GIADRO O=C(Nc1ccccc1N1CCCC1=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000411287994 823562480 /nfs/dbraw/zinc/56/24/80/823562480.db2.gz ZXBLUCPCWHXTEL-UHFFFAOYSA-N 1 0 377.488 4.052 20 0 GIADRO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2cnc3ccc(C)cc3c2)C1 ZINC000411298900 823563094 /nfs/dbraw/zinc/56/30/94/823563094.db2.gz UCYDQKAPXFXYHW-KRWDZBQOSA-N 1 0 393.453 4.166 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccc(-c3ncco3)cc2F)C1)CC(F)(F)F ZINC000411300336 823563245 /nfs/dbraw/zinc/56/32/45/823563245.db2.gz BPRFBBCMXDTVEU-CQSZACIVSA-N 1 0 385.405 4.187 20 0 GIADRO C[C@H](C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1)c1ccc(F)c(F)c1 ZINC000461038014 823563300 /nfs/dbraw/zinc/56/33/00/823563300.db2.gz MJSGMHRBBQBPPK-LBPRGKRZSA-N 1 0 382.838 4.301 20 0 GIADRO COc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)c(C)c1 ZINC000461040168 823563831 /nfs/dbraw/zinc/56/38/31/823563831.db2.gz COTCQCVNLQKXRZ-QGZVFWFLSA-N 1 0 392.421 4.027 20 0 GIADRO CNC(=O)CCOC1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000411322970 823564535 /nfs/dbraw/zinc/56/45/35/823564535.db2.gz DMPNDPMWCZSREB-QFIPXVFZSA-N 1 0 386.923 4.047 20 0 GIADRO COC[C@H]([NH2+][C@H](CO)Cc1c[nH]c2ccccc12)c1cccc(C(F)(F)F)c1 ZINC000124069983 823564975 /nfs/dbraw/zinc/56/49/75/823564975.db2.gz SUDOVQMZEJBFOG-PXNSSMCTSA-N 1 0 392.421 4.067 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)Nc1cccc(C(F)(F)F)n1 ZINC000124069853 823564996 /nfs/dbraw/zinc/56/49/96/823564996.db2.gz VHPKEKQTRFEXKT-ZDUSSCGKSA-N 1 0 382.386 4.042 20 0 GIADRO C[C@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)c1cc(Cl)ccc1Cl ZINC000411332487 823565059 /nfs/dbraw/zinc/56/50/59/823565059.db2.gz BAGLUCSWPUFEIW-WFASDCNBSA-N 1 0 387.376 4.388 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCCC1)NC12CC3CC(CC(C3)C1)C2 ZINC000060893102 823565075 /nfs/dbraw/zinc/56/50/75/823565075.db2.gz LHYLQUXHZGLMBG-UHFFFAOYSA-N 1 0 381.564 4.441 20 0 GIADRO Cc1cccc(CN(Cc2ccco2)C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)c1 ZINC000411344796 823565526 /nfs/dbraw/zinc/56/55/26/823565526.db2.gz FUKWSRRFWHCIGW-OAQYLSRUSA-N 1 0 398.572 4.334 20 0 GIADRO COc1cc(C[NH2+]C[C@@](C)(O)c2ccsc2)ccc1OCc1ccccc1 ZINC000124083567 823566122 /nfs/dbraw/zinc/56/61/22/823566122.db2.gz SRNYVCYBHRTARG-JOCHJYFZSA-N 1 0 383.513 4.333 20 0 GIADRO O=C(Nc1cccc(F)c1)C1CC[NH+](Cc2ccc(-c3ncco3)cc2F)CC1 ZINC000411361884 823566503 /nfs/dbraw/zinc/56/65/03/823566503.db2.gz YXMFNPODMOAUHA-UHFFFAOYSA-N 1 0 397.425 4.471 20 0 GIADRO O=C(C[NH2+]C1(c2ccc(Cl)cc2)CCOCC1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000411369520 823566916 /nfs/dbraw/zinc/56/69/16/823566916.db2.gz QJMGKBYPQFXXTL-XLIONFOSSA-N 1 0 390.955 4.117 20 0 GIADRO C[NH+](C)Cc1cccc(C(=O)N2CCCCC[C@H]2C[C@H](O)c2ccccc2)c1 ZINC000124101693 823567661 /nfs/dbraw/zinc/56/76/61/823567661.db2.gz BTOAUTJQWZQKJB-GOTSBHOMSA-N 1 0 380.532 4.257 20 0 GIADRO COc1cc(C[NH2+]C[C@@](C)(O)c2ccsc2)c(-c2ccccc2)cc1OC ZINC000124101929 823567690 /nfs/dbraw/zinc/56/76/90/823567690.db2.gz PPZCZWWKWKEFIX-JOCHJYFZSA-N 1 0 383.513 4.430 20 0 GIADRO C[NH+](C)Cc1cccc(C(=O)N2CCCCC[C@@H]2C[C@@H](O)c2ccccc2)c1 ZINC000124101945 823567712 /nfs/dbraw/zinc/56/77/12/823567712.db2.gz BTOAUTJQWZQKJB-DHIUTWEWSA-N 1 0 380.532 4.257 20 0 GIADRO CN(C)c1cc(C[NH2+][C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)ccn1 ZINC000124101319 823567721 /nfs/dbraw/zinc/56/77/21/823567721.db2.gz FCBHMXYIIZQGAL-NRFANRHFSA-N 1 0 389.478 4.168 20 0 GIADRO COc1ccc(NC(=O)CC[NH2+]C(C)(C)c2nc(C)c(C)s2)cc1Cl ZINC000411388745 823568715 /nfs/dbraw/zinc/56/87/15/823568715.db2.gz ORKWMCAJHXOZCO-UHFFFAOYSA-N 1 0 381.929 4.275 20 0 GIADRO CCCOc1c(Cl)cc(C[NH2+][C@H]2CCN(CC(F)(F)F)C2)cc1OCC ZINC000060953374 823569137 /nfs/dbraw/zinc/56/91/37/823569137.db2.gz SMJKRKYPSJTUKY-AWEZNQCLSA-N 1 0 394.865 4.254 20 0 GIADRO C[C@@H]1C[C@H]1c1ccc(CN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)C2CC2)o1 ZINC000411393716 823569613 /nfs/dbraw/zinc/56/96/13/823569613.db2.gz WGMVIIAEYFGCFR-MOXGXCLJSA-N 1 0 388.577 4.112 20 0 GIADRO CCOc1cc(C[NH2+]C[C@@](C)(O)c2ccsc2)ccc1OCC(F)(F)F ZINC000124128899 823570182 /nfs/dbraw/zinc/57/01/82/823570182.db2.gz ALYRTXKGOKFEAY-QGZVFWFLSA-N 1 0 389.439 4.085 20 0 GIADRO Cc1nccn1CCC[N@@H+](C)CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000411400483 823570402 /nfs/dbraw/zinc/57/04/02/823570402.db2.gz NXPVYUBJIMFOHE-UHFFFAOYSA-N 1 0 376.504 4.209 20 0 GIADRO Cc1nn(C)c(C)c1[C@H](NCc1cccc(C[NH+]2CCCCC2)c1)C(F)(F)F ZINC000411402601 823570621 /nfs/dbraw/zinc/57/06/21/823570621.db2.gz QRIWRDXIWKHESS-FQEVSTJZSA-N 1 0 394.485 4.416 20 0 GIADRO Cc1nn(C)c(C)c1[C@@H](NCc1cccc(C[NH+]2CCCCC2)c1)C(F)(F)F ZINC000411402602 823570623 /nfs/dbraw/zinc/57/06/23/823570623.db2.gz QRIWRDXIWKHESS-HXUWFJFHSA-N 1 0 394.485 4.416 20 0 GIADRO CCN(Cc1c[nH]c2ccccc12)C(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC000190415971 823570757 /nfs/dbraw/zinc/57/07/57/823570757.db2.gz IPLIVUUBUSDDLD-UHFFFAOYSA-N 1 0 378.520 4.351 20 0 GIADRO O=C(CCCOc1ccccc1)Nc1ccc(C[NH2+]Cc2cccc(O)c2)cc1 ZINC000060978976 823570900 /nfs/dbraw/zinc/57/09/00/823570900.db2.gz ZZOWGORKPYCQOV-UHFFFAOYSA-N 1 0 390.483 4.480 20 0 GIADRO Cc1nccn1CCCC[NH2+][C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000124138182 823571030 /nfs/dbraw/zinc/57/10/30/823571030.db2.gz CQBLNMCZYBPAGR-QFIPXVFZSA-N 1 0 391.494 4.492 20 0 GIADRO CCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2Cl)CC1 ZINC000124145911 823571749 /nfs/dbraw/zinc/57/17/49/823571749.db2.gz OPEJYFZCKODBPS-JTQLQIEISA-N 1 0 399.771 4.112 20 0 GIADRO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC000190425052 823571978 /nfs/dbraw/zinc/57/19/78/823571978.db2.gz ZGPGLPHJIWVTBX-HOCLYGCPSA-N 1 0 385.842 4.168 20 0 GIADRO COc1cc(Br)ccc1[C@@H](C)[NH2+]Cc1ccc(OC(C)=O)cc1 ZINC000190431161 823572821 /nfs/dbraw/zinc/57/28/21/823572821.db2.gz NTBPNMVKVGQULW-GFCCVEGCSA-N 1 0 378.266 4.234 20 0 GIADRO CSC[C@H](CCO)[NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000124159904 823573161 /nfs/dbraw/zinc/57/31/61/823573161.db2.gz VXXUJIBCTFNGAO-ZDUSSCGKSA-N 1 0 376.469 4.033 20 0 GIADRO COCCOc1ccc(C[NH2+]CC2(c3ccc(F)cc3)CCCC2)cc1OC ZINC000061017625 823573285 /nfs/dbraw/zinc/57/32/85/823573285.db2.gz VAHBLJPPUQKZAS-UHFFFAOYSA-N 1 0 387.495 4.461 20 0 GIADRO COc1ccc(NC(=O)N2CCC([NH2+]C(C)C)CC2)c(OCc2ccccc2)c1 ZINC000190435105 823573500 /nfs/dbraw/zinc/57/35/00/823573500.db2.gz DNIIAPJZRBLZTP-UHFFFAOYSA-N 1 0 397.519 4.269 20 0 GIADRO CCCOc1ccc([C@@H](C)NC(=O)NCC2([NH+](C)C)CCCCC2)cc1OC ZINC000061020662 823573644 /nfs/dbraw/zinc/57/36/44/823573644.db2.gz AHWUILATEYFRAV-QGZVFWFLSA-N 1 0 391.556 4.109 20 0 GIADRO O=S1(=O)CCCN1c1ccc(C[NH2+][C@@H]2CCCC[C@@H](c3ccccc3)C2)cc1 ZINC000461085876 823573639 /nfs/dbraw/zinc/57/36/39/823573639.db2.gz VWUDTKIDYKWEAN-FGZHOGPDSA-N 1 0 398.572 4.433 20 0 GIADRO CCOc1cc2c(cc1C[NH2+]Cc1cccc(Br)c1)O[C@@H](C)C2 ZINC000061028537 823574042 /nfs/dbraw/zinc/57/40/42/823574042.db2.gz RWDOLOYOAXXMAB-ZDUSSCGKSA-N 1 0 376.294 4.461 20 0 GIADRO CC[C@H](Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1)c1cccc(Cl)c1F ZINC000461087684 823574230 /nfs/dbraw/zinc/57/42/30/823574230.db2.gz LKQHLQVJEWDGOU-OALUTQOASA-N 1 0 389.902 4.492 20 0 GIADRO COc1ccc(C[NH2+]CCc2ccc(OC(F)F)cc2)cc1Br ZINC000061029654 823574211 /nfs/dbraw/zinc/57/42/11/823574211.db2.gz HTRJEIIJEJKGHV-UHFFFAOYSA-N 1 0 386.236 4.391 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCNCc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000061029108 823574259 /nfs/dbraw/zinc/57/42/59/823574259.db2.gz CVUNMXZGQKOJCZ-FQEVSTJZSA-N 1 0 389.547 4.288 20 0 GIADRO CC[C@@H](Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1)c1cccc(Cl)c1F ZINC000461087683 823574285 /nfs/dbraw/zinc/57/42/85/823574285.db2.gz LKQHLQVJEWDGOU-MOPGFXCFSA-N 1 0 389.902 4.492 20 0 GIADRO CC(C)(C)C[C@H]([NH2+]CCC(=O)Nc1ccc(C(N)=O)cc1)c1ccc(F)cc1 ZINC000411442764 823574587 /nfs/dbraw/zinc/57/45/87/823574587.db2.gz AVOGRSDSDVLLCB-IBGZPJMESA-N 1 0 385.483 4.020 20 0 GIADRO CC[NH+](CC)CCN(C(=O)[C@H]1CCO[C@@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000461089520 823574652 /nfs/dbraw/zinc/57/46/52/823574652.db2.gz XGORUBIYHXCSQG-HOTGVXAUSA-N 1 0 386.458 4.195 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+]CCC(=O)NCc2ccccc2Cl)cc1OC ZINC000411443065 823574660 /nfs/dbraw/zinc/57/46/60/823574660.db2.gz BCOUKCCYQALORY-HNNXBMFYSA-N 1 0 390.911 4.104 20 0 GIADRO CC1(C)CN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CC[C@H]1C(F)(F)F ZINC000190441576 823574738 /nfs/dbraw/zinc/57/47/38/823574738.db2.gz CFVIHNZYGXFICE-GOEBONIOSA-N 1 0 387.446 4.037 20 0 GIADRO CC[C@@H]([NH2+]CC(=O)Nc1c(C)nn(-c2ccccc2)c1C)c1ccc(OC)cc1 ZINC000124178195 823575054 /nfs/dbraw/zinc/57/50/54/823575054.db2.gz GESGYOVOWJHRML-OAQYLSRUSA-N 1 0 392.503 4.177 20 0 GIADRO CC(C)OCCCNC(=O)C1CC[NH+](CCSc2ccc(Cl)cc2)CC1 ZINC000061044078 823575123 /nfs/dbraw/zinc/57/51/23/823575123.db2.gz XLNJUAFCEVQTML-UHFFFAOYSA-N 1 0 399.000 4.075 20 0 GIADRO C[C@H]([NH2+]CCc1nc2ccccc2c(=O)[nH]1)c1ccc(OCC(F)(F)F)cc1 ZINC000411448049 823575506 /nfs/dbraw/zinc/57/55/06/823575506.db2.gz DQIAMZVTWQSSKT-ZDUSSCGKSA-N 1 0 391.393 4.170 20 0 GIADRO Cc1nn(C(F)F)c(C)c1CC(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000124186749 823575797 /nfs/dbraw/zinc/57/57/97/823575797.db2.gz RMOIQKKRUUSLOU-AWEZNQCLSA-N 1 0 390.478 4.451 20 0 GIADRO C[C@H]([NH2+][C@H](CCO)C1CCOCC1)c1ccc2ccccc2c1OC(F)F ZINC000461095170 823575897 /nfs/dbraw/zinc/57/58/97/823575897.db2.gz BRDBWUBKGLDVFB-IFXJQAMLSA-N 1 0 379.447 4.269 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)N=c2cc(C)n(C3CCCCC3)[nH]2)cc1)C1CC1 ZINC000461095533 823575905 /nfs/dbraw/zinc/57/59/05/823575905.db2.gz CKAAMCCCVPRPJO-UHFFFAOYSA-N 1 0 380.536 4.355 20 0 GIADRO COc1ccc2c(c1)CCC[C@@H]2C[NH2+][C@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000124189268 823575951 /nfs/dbraw/zinc/57/59/51/823575951.db2.gz DRNZWMDDOMXHJY-DNVCBOLYSA-N 1 0 382.504 4.433 20 0 GIADRO O=C(CC[NH2+][C@@H](CCO)c1ccccc1)N[C@@H](c1cccs1)c1ccccc1 ZINC000411453397 823576408 /nfs/dbraw/zinc/57/64/08/823576408.db2.gz XKVPPIBBCWTKJL-NZQKXSOJSA-N 1 0 394.540 4.057 20 0 GIADRO C[N@@H+]1CCCC12CCN(CCC(=O)Nc1ccccc1Oc1ccccc1)CC2 ZINC000411455637 823576582 /nfs/dbraw/zinc/57/65/82/823576582.db2.gz YRNUKKBCXIVJEQ-UHFFFAOYSA-N 1 0 393.531 4.368 20 0 GIADRO Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000411456043 823576620 /nfs/dbraw/zinc/57/66/20/823576620.db2.gz MGDAGULLMVSAKI-KURKYZTESA-N 1 0 379.504 4.447 20 0 GIADRO COc1ccc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c(OCc2ccccc2)c1 ZINC000190454407 823576789 /nfs/dbraw/zinc/57/67/89/823576789.db2.gz AXCOQFNXLSTSJL-IEBWSBKVSA-N 1 0 397.519 4.221 20 0 GIADRO COc1cccc(Cl)c1CN1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000190458244 823577350 /nfs/dbraw/zinc/57/73/50/823577350.db2.gz JWNUSNZIUOSDSI-OAHLLOKOSA-N 1 0 379.957 4.067 20 0 GIADRO CC(C)(C)n1nccc1NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000190462037 823577688 /nfs/dbraw/zinc/57/76/88/823577688.db2.gz FSFDVOYRJUHRGE-PMACEKPBSA-N 1 0 395.551 4.157 20 0 GIADRO CC(C)[N@@H+](Cc1ccc(NC(=O)[C@@H]2[C@@H](C)C2(F)F)cc1)C[C@H]1CCCCO1 ZINC000461101612 823577748 /nfs/dbraw/zinc/57/77/48/823577748.db2.gz SOHDYSCPEKEFQF-LZQZEXGQSA-N 1 0 380.479 4.306 20 0 GIADRO CO[C@]1(C[NH2+][C@@H](CCSc2ccccc2)c2ccc(F)cc2)CCOC1 ZINC000461102651 823577885 /nfs/dbraw/zinc/57/78/85/823577885.db2.gz KIJQLVBXHJSSPH-SFTDATJTSA-N 1 0 375.509 4.444 20 0 GIADRO COc1ccc2c(c1)CCC[C@H]2C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000124218840 823578344 /nfs/dbraw/zinc/57/83/44/823578344.db2.gz OFBPFOIDSYMMBY-YOEHRIQHSA-N 1 0 391.508 4.009 20 0 GIADRO CSc1ccc(OC[C@H](O)C[NH2+][C@H](C)c2cccc(N3CCCC3)c2)cc1 ZINC000411472353 823578902 /nfs/dbraw/zinc/57/89/02/823578902.db2.gz HJUZCGWKYUIVPL-YLJYHZDGSA-N 1 0 386.561 4.099 20 0 GIADRO COc1ccc(-c2n[nH]cc2C[NH2+]C[C@H](O)c2c(Cl)cccc2Cl)cc1 ZINC000124225426 823578997 /nfs/dbraw/zinc/57/89/97/823578997.db2.gz RJWWCNKBLVIPSD-KRWDZBQOSA-N 1 0 392.286 4.215 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H]2CC(C)(C)Oc3ccccc32)CC1 ZINC000411478666 823579500 /nfs/dbraw/zinc/57/95/00/823579500.db2.gz UXVRVLTUXIEQKF-QFIPXVFZSA-N 1 0 392.543 4.421 20 0 GIADRO CC(C)[NH+]1CCN(c2ccc(C(=O)N(Cc3ccc(F)cc3)C3CC3)cc2)CC1 ZINC000061134064 823579912 /nfs/dbraw/zinc/57/99/12/823579912.db2.gz SPESBTRPYRXHDS-UHFFFAOYSA-N 1 0 395.522 4.161 20 0 GIADRO O=C(CC[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)NCc1ccccc1Cl ZINC000411481533 823580039 /nfs/dbraw/zinc/58/00/39/823580039.db2.gz XULDFQLHDKUWMI-LAUBAEHRSA-N 1 0 386.923 4.104 20 0 GIADRO COC(=O)c1c(C)[nH]c(C(=O)C[NH2+][C@@H](C)c2ccc(-c3ccncc3)cc2)c1C ZINC000411481813 823580109 /nfs/dbraw/zinc/58/01/09/823580109.db2.gz YCKXJBKMUAGPGX-HNNXBMFYSA-N 1 0 391.471 4.014 20 0 GIADRO O=C(CC[NH2+]C1(c2ccc3c(c2)OCO3)CC1)Nc1ccccc1C(F)(F)F ZINC000411483239 823580172 /nfs/dbraw/zinc/58/01/72/823580172.db2.gz MTAHZNJDIMYZHL-UHFFFAOYSA-N 1 0 392.377 4.042 20 0 GIADRO CC[C@H]([NH2+]CCC(=O)NC(c1ccccc1)c1ccccc1)C1CCOCC1 ZINC000411483061 823580253 /nfs/dbraw/zinc/58/02/53/823580253.db2.gz USHJBPKWVSPUEI-QFIPXVFZSA-N 1 0 380.532 4.077 20 0 GIADRO CC(C)[NH+]1CCN(c2ccc(C(=O)N(Cc3ccco3)C3CCCC3)cc2)CC1 ZINC000061139516 823580355 /nfs/dbraw/zinc/58/03/55/823580355.db2.gz MCELHXYHZMHWFF-UHFFFAOYSA-N 1 0 395.547 4.395 20 0 GIADRO COc1cccc([C@H]2CCC[N@@H+]2Cc2ccccc2OCC(=O)N2CCCC2)c1 ZINC000124247274 823580694 /nfs/dbraw/zinc/58/06/94/823580694.db2.gz KUWQOLVBNSXPAY-JOCHJYFZSA-N 1 0 394.515 4.034 20 0 GIADRO CCC(CC)c1cc(CNC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)on1 ZINC000461120671 823581335 /nfs/dbraw/zinc/58/13/35/823581335.db2.gz CDNFFHNVEQONOF-GOSISDBHSA-N 1 0 387.499 4.246 20 0 GIADRO O=C(Nc1cccc(OC(F)F)c1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000061165805 823581988 /nfs/dbraw/zinc/58/19/88/823581988.db2.gz UTKXZOWNDAGAPC-KRWDZBQOSA-N 1 0 375.419 4.074 20 0 GIADRO COc1ccccc1SCC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000124271760 823582692 /nfs/dbraw/zinc/58/26/92/823582692.db2.gz WBVNFZQGRSQDHZ-SFHVURJKSA-N 1 0 390.593 4.290 20 0 GIADRO C[C@@]1([NH2+]CCC(=O)Nc2ccccc2Oc2ccccc2)CCO[C@@H]1C1CC1 ZINC000411513761 823582977 /nfs/dbraw/zinc/58/29/77/823582977.db2.gz PVIPHMLVQAFNLJ-DHIUTWEWSA-N 1 0 380.488 4.355 20 0 GIADRO CC1CC[NH+]([C@@H](CNC(=O)NCc2cc(F)cc(F)c2)c2cccs2)CC1 ZINC000061191416 823583125 /nfs/dbraw/zinc/58/31/25/823583125.db2.gz IEUTXTNGLLBCHI-SFHVURJKSA-N 1 0 393.503 4.299 20 0 GIADRO CC(C)Oc1cccc([C@@H](C)NC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)c1 ZINC000061195029 823583526 /nfs/dbraw/zinc/58/35/26/823583526.db2.gz OGJJYSRJRIYUOB-WIYYLYMNSA-N 1 0 383.536 4.007 20 0 GIADRO C[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000411518520 823583644 /nfs/dbraw/zinc/58/36/44/823583644.db2.gz IWJQUHOTTBFBKB-CQSZACIVSA-N 1 0 386.458 4.143 20 0 GIADRO CC[C@H]([NH2+]CCC(=O)NC(c1ccccc1)c1ccccc1)c1nccs1 ZINC000411521187 823584135 /nfs/dbraw/zinc/58/41/35/823584135.db2.gz YEZDYOWSIMAIAJ-IBGZPJMESA-N 1 0 379.529 4.480 20 0 GIADRO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C(=O)/C=C/c2cc3ccccc3o2)C1 ZINC000190544794 823585022 /nfs/dbraw/zinc/58/50/22/823585022.db2.gz XDNAQWUBOQMLNA-OZSKJFCKSA-N 1 0 395.528 4.191 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)NCc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC000061228724 823585466 /nfs/dbraw/zinc/58/54/66/823585466.db2.gz PQFKUAWMLDWSAR-QHCPKHFHSA-N 1 0 394.563 4.169 20 0 GIADRO C[C@H]1C[C@@H](NC(=O)N2CCC(c3ccncc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000190552823 823585613 /nfs/dbraw/zinc/58/56/13/823585613.db2.gz KAXAKYWLAZLKDS-CVDCTZTESA-N 1 0 392.547 4.024 20 0 GIADRO Cc1cc(C(F)(F)F)ccc1CNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000190554514 823585800 /nfs/dbraw/zinc/58/58/00/823585800.db2.gz BDJOTKQDUASSER-UHFFFAOYSA-N 1 0 383.458 4.031 20 0 GIADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2ccc(C(F)(F)F)c(F)c2)CC1 ZINC000190559629 823586493 /nfs/dbraw/zinc/58/64/93/823586493.db2.gz SLKXKTGLUOXMLT-UHFFFAOYSA-N 1 0 384.373 4.174 20 0 GIADRO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000411542754 823586883 /nfs/dbraw/zinc/58/68/83/823586883.db2.gz JFTIKVLASODNQH-IERDGZPVSA-N 1 0 382.552 4.181 20 0 GIADRO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000411542756 823586955 /nfs/dbraw/zinc/58/69/55/823586955.db2.gz JFTIKVLASODNQH-KKSFZXQISA-N 1 0 382.552 4.181 20 0 GIADRO CSc1ccccc1NC(=O)CC[NH2+][C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000411545291 823587038 /nfs/dbraw/zinc/58/70/38/823587038.db2.gz WJZHRXUVRQHKHQ-KRWDZBQOSA-N 1 0 394.544 4.333 20 0 GIADRO Cn1c2ccccc2nc1C(C)(C)[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000411545741 823587181 /nfs/dbraw/zinc/58/71/81/823587181.db2.gz RGAXFQCTSMJFRS-UHFFFAOYSA-N 1 0 395.894 4.344 20 0 GIADRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NCc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000411548584 823587349 /nfs/dbraw/zinc/58/73/49/823587349.db2.gz FJUMLCINMLSYBS-HXUWFJFHSA-N 1 0 398.938 4.235 20 0 GIADRO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]CCC(=O)Nc1ccc(Cl)cc1F ZINC000411549268 823587619 /nfs/dbraw/zinc/58/76/19/823587619.db2.gz ZMIAMRHTQDJGAD-LBPRGKRZSA-N 1 0 380.895 4.418 20 0 GIADRO CCOC(=O)N1CCC([NH2+][C@@H](c2ccc(Br)s2)C2CC2)CC1 ZINC000190578207 823587862 /nfs/dbraw/zinc/58/78/62/823587862.db2.gz AUUKCKITHIPIFB-OAHLLOKOSA-N 1 0 387.343 4.172 20 0 GIADRO C[N@H+](Cn1ccc(=S)c2ccccc21)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000190579630 823588064 /nfs/dbraw/zinc/58/80/64/823588064.db2.gz IEJGOTAIRDXRRQ-FQEVSTJZSA-N 1 0 377.513 4.061 20 0 GIADRO Cn1cc([C@H](NCc2ccc(C[NH+]3CCCCC3)cc2)c2ccc(F)cc2)cn1 ZINC000411560645 823588244 /nfs/dbraw/zinc/58/82/44/823588244.db2.gz YESWQTDYJHBLKF-XMMPIXPASA-N 1 0 392.522 4.424 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(CN(C)C(=O)C(C)C)cc2)cc1 ZINC000190583833 823588439 /nfs/dbraw/zinc/58/84/39/823588439.db2.gz VTBQKUOIQAKICE-UHFFFAOYSA-N 1 0 395.547 4.395 20 0 GIADRO CCN1CCC[C@@H](C[N@H+](C)Cc2cnc3ccc(C)cc3c2)[C@@H]1c1cnn(C)c1 ZINC000411583249 823589187 /nfs/dbraw/zinc/58/91/87/823589187.db2.gz NJEZOCMRBUQUDH-GBXCKJPGSA-N 1 0 391.563 4.182 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C[C@@H](c2ccc(O)cc2)C2CC2)C1 ZINC000411585474 823589426 /nfs/dbraw/zinc/58/94/26/823589426.db2.gz HGKXJMOSYBRHQO-FRGLQRNOSA-N 1 0 378.516 4.228 20 0 GIADRO CC(C)Oc1cccc(CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)c1 ZINC000061285664 823589525 /nfs/dbraw/zinc/58/95/25/823589525.db2.gz OUHYICZFNRHKRG-UHFFFAOYSA-N 1 0 384.545 4.204 20 0 GIADRO Cc1ccc2ncc(C[N@H+](C)C[C@@H]3C[C@H](F)CN3Cc3nccs3)cc2c1 ZINC000411591332 823589591 /nfs/dbraw/zinc/58/95/91/823589591.db2.gz ADQPRBVEXSPZGM-OALUTQOASA-N 1 0 384.524 4.044 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)c1nc(Cl)ccc1Cl ZINC000061289304 823590028 /nfs/dbraw/zinc/59/00/28/823590028.db2.gz OLSNGLLSTZPMPO-UHFFFAOYSA-N 1 0 396.343 4.232 20 0 GIADRO CN(Cc1ccco1)C(=O)C[NH2+][C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000411602432 823590069 /nfs/dbraw/zinc/59/00/69/823590069.db2.gz CDTWCDRRJFEWGA-FUHWJXTLSA-N 1 0 380.410 4.183 20 0 GIADRO O=C(NC[C@H]1CCN(c2ccc(F)cc2)C1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000411604246 823590076 /nfs/dbraw/zinc/59/00/76/823590076.db2.gz GEMJEESFWCAMTM-HXUWFJFHSA-N 1 0 395.522 4.068 20 0 GIADRO Brc1cccc(C[N@H+](CCc2cncs2)C2CCOCC2)c1 ZINC000411613853 823590875 /nfs/dbraw/zinc/59/08/75/823590875.db2.gz GSDZBWLDXILSME-UHFFFAOYSA-N 1 0 381.339 4.129 20 0 GIADRO C[C@@H]([NH2+]CCC(=O)N1CCc2sccc2C1)c1ccc(C(F)(F)F)cc1 ZINC000411617264 823590999 /nfs/dbraw/zinc/59/09/99/823590999.db2.gz LFPHNXGZLCVJID-CYBMUJFWSA-N 1 0 382.451 4.393 20 0 GIADRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1cccc2cccnc21 ZINC000061308284 823591032 /nfs/dbraw/zinc/59/10/32/823591032.db2.gz AXNREYSCDVUYEG-UHFFFAOYSA-N 1 0 377.513 4.344 20 0 GIADRO COc1cc(Br)ccc1[C@H](C)[NH2+]CCC(=O)Nc1ccccc1F ZINC000411625154 823592031 /nfs/dbraw/zinc/59/20/31/823592031.db2.gz ZWDHIKHNLBCWCY-LBPRGKRZSA-N 1 0 395.272 4.276 20 0 GIADRO CCn1nccc1C[N@H+](C)CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000411644595 823593371 /nfs/dbraw/zinc/59/33/71/823593371.db2.gz JTDBIVXCOGUYSL-UHFFFAOYSA-N 1 0 378.476 4.156 20 0 GIADRO CC(C)(CO)[C@@H]([NH2+]CCc1nc(-c2cccc(Cl)c2)no1)c1ccccc1 ZINC000411646178 823593531 /nfs/dbraw/zinc/59/35/31/823593531.db2.gz VEFOQLJCIHMHPY-IBGZPJMESA-N 1 0 385.895 4.282 20 0 GIADRO COc1ccc(C2([NH2+]Cc3cnc4ccc(C)cc4c3)CCOCC2)cc1F ZINC000411645511 823593597 /nfs/dbraw/zinc/59/35/97/823593597.db2.gz OXRNCPVWZOVQFC-UHFFFAOYSA-N 1 0 380.463 4.486 20 0 GIADRO O=C(CC[NH2+]C1(c2cccc(C(F)(F)F)c2)CCOCC1)Nc1ccccc1 ZINC000411649971 823594019 /nfs/dbraw/zinc/59/40/19/823594019.db2.gz QBVCOQFKRMZOIW-UHFFFAOYSA-N 1 0 392.421 4.330 20 0 GIADRO O=C(CC[NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1)Nc1ccc(Cl)cc1F ZINC000411650749 823594240 /nfs/dbraw/zinc/59/42/40/823594240.db2.gz RNBWVRCASJXGAY-HKUYNNGSSA-N 1 0 398.812 4.206 20 0 GIADRO COc1ccccc1NC(=O)c1ccc(NC(=O)CC[NH2+][C@@H]2CCC[C@H]2C)cc1 ZINC000411654101 823594678 /nfs/dbraw/zinc/59/46/78/823594678.db2.gz WYJYUFSNCBWRQM-VQIMIIECSA-N 1 0 395.503 4.054 20 0 GIADRO CCCCOc1ccc(CNC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1Cl ZINC000190645732 823594791 /nfs/dbraw/zinc/59/47/91/823594791.db2.gz MANIIQFCBNXVOI-MAUKXSAKSA-N 1 0 381.948 4.001 20 0 GIADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)Nc1ccc(-c2nccs2)cc1 ZINC000124415208 823594861 /nfs/dbraw/zinc/59/48/61/823594861.db2.gz DQUFCQLHHVEPEJ-IBGZPJMESA-N 1 0 380.517 4.105 20 0 GIADRO Cc1c(F)cccc1NC(=O)CC[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000411655007 823594862 /nfs/dbraw/zinc/59/48/62/823594862.db2.gz ZXDTYJTXCVGXPP-AZUAARDMSA-N 1 0 376.859 4.236 20 0 GIADRO Cc1c(F)cccc1NC(=O)CC[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000411655008 823594906 /nfs/dbraw/zinc/59/49/06/823594906.db2.gz ZXDTYJTXCVGXPP-ICSRJNTNSA-N 1 0 376.859 4.236 20 0 GIADRO CCOc1ccc(NC(=O)CC[NH2+][C@H](c2ccc(C)cc2)c2ccccn2)cc1 ZINC000411658136 823595256 /nfs/dbraw/zinc/59/52/56/823595256.db2.gz KMVBBWPWPPODKM-XMMPIXPASA-N 1 0 389.499 4.497 20 0 GIADRO O=C(CC[NH2+][C@H](CO)c1ccc(Cl)cc1C(F)(F)F)Nc1ccccc1 ZINC000411669656 823596089 /nfs/dbraw/zinc/59/60/89/823596089.db2.gz ZSSAGGWTUNGBBN-MRXNPFEDSA-N 1 0 386.801 4.011 20 0 GIADRO C[C@H](NC(=O)N[C@@H]1CCc2sc(Cl)cc21)[C@H](c1ccccc1)[NH+](C)C ZINC000461194392 823596409 /nfs/dbraw/zinc/59/64/09/823596409.db2.gz JEWLWHWVJRHHTK-WBHUJUFNSA-N 1 0 377.941 4.379 20 0 GIADRO COc1ccc(C[NH2+][C@H](CCO)c2ccccc2)cc1OCc1ccccc1 ZINC000124438538 823596766 /nfs/dbraw/zinc/59/67/66/823596766.db2.gz FPAGCBHZRLPHBD-JOCHJYFZSA-N 1 0 377.484 4.488 20 0 GIADRO Fc1cc(-c2ncco2)ccc1C[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000411687145 823597133 /nfs/dbraw/zinc/59/71/33/823597133.db2.gz FKFHIUDCFROEEP-GOSISDBHSA-N 1 0 380.467 4.393 20 0 GIADRO COc1ccc(CCCC(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000061432669 823597176 /nfs/dbraw/zinc/59/71/76/823597176.db2.gz VKATXHJDJPSBMQ-JOCHJYFZSA-N 1 0 380.532 4.046 20 0 GIADRO O=C(CC[NH2+][C@@H]1CCOc2c(Br)cccc21)Nc1ccccc1F ZINC000411693019 823597533 /nfs/dbraw/zinc/59/75/33/823597533.db2.gz LGVSBGLLKNSGOC-OAHLLOKOSA-N 1 0 393.256 4.030 20 0 GIADRO CC(C)C(=O)NC[C@H]1CCCN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)C1 ZINC000124447293 823597592 /nfs/dbraw/zinc/59/75/92/823597592.db2.gz XFIAGBDNPDGJOI-CQSZACIVSA-N 1 0 379.426 4.242 20 0 GIADRO CCCCNC(=O)CC[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000411696174 823597726 /nfs/dbraw/zinc/59/77/26/823597726.db2.gz JJAOOILVOUZOGT-LJQANCHMSA-N 1 0 386.458 4.069 20 0 GIADRO CC(=O)Oc1ccc(C[N@@H+](Cc2ccccc2)C[C@@H](O)c2cccs2)cc1 ZINC000124449129 823597756 /nfs/dbraw/zinc/59/77/56/823597756.db2.gz PUKGXPNFRBBXLW-OAQYLSRUSA-N 1 0 381.497 4.409 20 0 GIADRO CN1CC[C@@H]([NH2+]Cc2ccc(-c3ncco3)cc2F)[C@@H]1c1ccc(F)c(F)c1 ZINC000411702157 823598049 /nfs/dbraw/zinc/59/80/49/823598049.db2.gz YXRAKXVZOCEDOE-UXHICEINSA-N 1 0 387.405 4.294 20 0 GIADRO O=C(Cc1ccc(OC(F)F)cc1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000061494000 823599753 /nfs/dbraw/zinc/59/97/53/823599753.db2.gz SSNXDAMRAPVWKK-UHFFFAOYSA-N 1 0 380.479 4.136 20 0 GIADRO C[C@H]([NH2+][C@H]1CCCc2c1cnn2Cc1ccccc1)c1ccc2c(c1)OCO2 ZINC000124476608 823599880 /nfs/dbraw/zinc/59/98/80/823599880.db2.gz OOGNAQDNDCGQHB-JXFKEZNVSA-N 1 0 375.472 4.388 20 0 GIADRO O=C(CC[N@@H+]1CCCC[C@@H]1c1cc[nH]n1)NC(c1ccccc1)c1ccccc1 ZINC000411725151 823600220 /nfs/dbraw/zinc/60/02/20/823600220.db2.gz VWKFBMNDXAXLJC-JOCHJYFZSA-N 1 0 388.515 4.233 20 0 GIADRO Cc1c(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)[nH]c2c1C(=O)CCC2 ZINC000061503750 823600188 /nfs/dbraw/zinc/60/01/88/823600188.db2.gz IEPHLGIWEINFGO-UHFFFAOYSA-N 1 0 393.531 4.148 20 0 GIADRO COC(=O)C[C@@](C)([NH2+]Cc1ccc(OC(F)F)c(OC)c1)c1cccc(F)c1 ZINC000411725561 823600336 /nfs/dbraw/zinc/60/03/36/823600336.db2.gz GNMIAONUFFLDCN-HXUWFJFHSA-N 1 0 397.393 4.004 20 0 GIADRO CCOc1ccc(OCC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)cc1 ZINC000061503903 823600414 /nfs/dbraw/zinc/60/04/14/823600414.db2.gz WLFVLXNYZKTSRT-UHFFFAOYSA-N 1 0 396.531 4.157 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)c2cnn(-c3ccc(C)cc3)c2C(C)C)CC1 ZINC000461220331 823600678 /nfs/dbraw/zinc/60/06/78/823600678.db2.gz UEBBJZAIWJWCKG-UHFFFAOYSA-N 1 0 382.552 4.156 20 0 GIADRO CC(C)(CO)[C@@H]([NH2+]CCc1nc(-c2ccc(Cl)cc2)no1)c1cccs1 ZINC000411733083 823600813 /nfs/dbraw/zinc/60/08/13/823600813.db2.gz FFTQKNGZCVPLGU-KRWDZBQOSA-N 1 0 391.924 4.343 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)c2csc(-c3ccc(Cl)s3)n2)CC1 ZINC000461221288 823600948 /nfs/dbraw/zinc/60/09/48/823600948.db2.gz VOLFDLCMYLIHCF-UHFFFAOYSA-N 1 0 383.970 4.377 20 0 GIADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000411741273 823601360 /nfs/dbraw/zinc/60/13/60/823601360.db2.gz ZKXYGTDTLAJGQM-NVXWUHKLSA-N 1 0 386.458 4.000 20 0 GIADRO CCOc1ccccc1NC(=O)CC[NH2+][C@@H](C)c1ccc(OC)c(OC)c1C ZINC000411742046 823601386 /nfs/dbraw/zinc/60/13/86/823601386.db2.gz QLOJSUZDRNXTSK-INIZCTEOSA-N 1 0 386.492 4.090 20 0 GIADRO Cn1cc(CNc2cc3c(c[nH+]2)CCCC3)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000461226381 823601449 /nfs/dbraw/zinc/60/14/49/823601449.db2.gz MVEISDXHWKUGQU-UHFFFAOYSA-N 1 0 390.487 4.134 20 0 GIADRO CC(=O)Nc1cccc(C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1C ZINC000190715301 823601452 /nfs/dbraw/zinc/60/14/52/823601452.db2.gz PPJAZGWOQBPJAI-INIZCTEOSA-N 1 0 379.504 4.438 20 0 GIADRO C[C@@H](OCCCNC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000061526216 823601482 /nfs/dbraw/zinc/60/14/82/823601482.db2.gz ZBKHIKMCGHHQSR-NFBKMPQASA-N 1 0 395.547 4.118 20 0 GIADRO CC(C)N(C)c1ccc(C[NH2+]Cc2ccc(NC(=O)c3ccco3)cc2)cn1 ZINC000190715387 823601631 /nfs/dbraw/zinc/60/16/31/823601631.db2.gz KFBADDYXPVADAG-UHFFFAOYSA-N 1 0 378.476 4.061 20 0 GIADRO COc1ccc(NC(=O)CC[NH2+][C@H](CCO)c2ccc(Cl)cc2)cc1Cl ZINC000411744555 823601920 /nfs/dbraw/zinc/60/19/20/823601920.db2.gz UHOCMTIDUNJPKA-QGZVFWFLSA-N 1 0 397.302 4.044 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CCC(=O)Nc2ccccc2Cl)c(C)c1OC ZINC000411748620 823602259 /nfs/dbraw/zinc/60/22/59/823602259.db2.gz ZNAFQIBGXBBHMW-AWEZNQCLSA-N 1 0 376.884 4.345 20 0 GIADRO c1ccc(C[N@H+]2CCC[C@H](N(CCc3ccccn3)Cc3ccncc3)C2)cc1 ZINC000411751401 823602406 /nfs/dbraw/zinc/60/24/06/823602406.db2.gz BQPUCWICNPLJRZ-VWLOTQADSA-N 1 0 386.543 4.186 20 0 GIADRO Cc1c(F)cccc1NC(=O)CC[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000411754996 823602590 /nfs/dbraw/zinc/60/25/90/823602590.db2.gz YGSWRULLMNZVHV-PZJWPPBQSA-N 1 0 389.902 4.151 20 0 GIADRO COc1ccccc1NC1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000124514153 823602761 /nfs/dbraw/zinc/60/27/61/823602761.db2.gz OHWDKBULDUWIRL-UHFFFAOYSA-N 1 0 393.531 4.008 20 0 GIADRO O=C(NCc1cc2ccccc2o1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000061553564 823603287 /nfs/dbraw/zinc/60/32/87/823603287.db2.gz OPVGSGWLKSBFRS-UHFFFAOYSA-N 1 0 377.488 4.418 20 0 GIADRO CN(C(=O)c1ccc2ccccc2c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000124524418 823603506 /nfs/dbraw/zinc/60/35/06/823603506.db2.gz MFBHHNFQXDCRIO-ZEQRLZLVSA-N 1 0 393.575 4.249 20 0 GIADRO CC(C)[C@@H]([NH2+]CCC(=O)Nc1ccccc1-c1ccccc1)C1(CO)CCC1 ZINC000411772680 823604044 /nfs/dbraw/zinc/60/40/44/823604044.db2.gz VLLLAZNKLRNJDD-HSZRJFAPSA-N 1 0 380.532 4.459 20 0 GIADRO O=C(CCSc1ccccc1F)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000061568506 823604466 /nfs/dbraw/zinc/60/44/66/823604466.db2.gz NKGMDQDLYYVEMM-UHFFFAOYSA-N 1 0 392.565 4.398 20 0 GIADRO N#CCSc1ccccc1C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000061572341 823604589 /nfs/dbraw/zinc/60/45/89/823604589.db2.gz DXHVBCWQNQAMMZ-UHFFFAOYSA-N 1 0 397.569 4.146 20 0 GIADRO CC1(C)[C@H]([NH2+]CCC(=O)Nc2ccccc2Oc2ccccc2)[C@H]2CCO[C@H]21 ZINC000411789668 823604963 /nfs/dbraw/zinc/60/49/63/823604963.db2.gz GGORWBGKJRGGPE-ZPMCFJSWSA-N 1 0 380.488 4.211 20 0 GIADRO CC(C)[C@@H]([NH2+]Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1)[C@@H](CO)C(C)C ZINC000411788819 823605017 /nfs/dbraw/zinc/60/50/17/823605017.db2.gz MWGBKIKASKMIHI-FXAWDEMLSA-N 1 0 399.560 4.443 20 0 GIADRO Cc1cnc([C@@H](NC(=O)[C@@H](C)[NH+]2CCC(Cc3ccccc3)CC2)C2CC2)s1 ZINC000461254135 823605294 /nfs/dbraw/zinc/60/52/94/823605294.db2.gz ZGRCXLQXZDUSKO-UTKZUKDTSA-N 1 0 397.588 4.362 20 0 GIADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C1(c2ccc(Br)cc2)CCC1 ZINC000461255149 823605635 /nfs/dbraw/zinc/60/56/35/823605635.db2.gz BZYDQZRJMIZGHP-GOSISDBHSA-N 1 0 393.369 4.204 20 0 GIADRO CC[NH+]1CCC(NC(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)CC1 ZINC000061620263 823606337 /nfs/dbraw/zinc/60/63/37/823606337.db2.gz WQIPQOQWXHRDSB-UHFFFAOYSA-N 1 0 398.359 4.260 20 0 GIADRO COc1cc(C[NH+]2CCC([C@@H](O)c3ccccc3)CC2)c(SC)cc1OC ZINC000124562333 823606573 /nfs/dbraw/zinc/60/65/73/823606573.db2.gz XERUEEWWWXOOSK-QFIPXVFZSA-N 1 0 387.545 4.371 20 0 GIADRO CC(C)c1c(C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cnn1-c1ccc(F)cc1 ZINC000461261796 823607598 /nfs/dbraw/zinc/60/75/98/823607598.db2.gz HCOBJIFOHOBXGX-GOSISDBHSA-N 1 0 386.515 4.081 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)c2cnn(CC(C)C)c2C(F)F)cc1 ZINC000124574432 823607638 /nfs/dbraw/zinc/60/76/38/823607638.db2.gz XJSPNGCWUQKSKE-UHFFFAOYSA-N 1 0 392.494 4.249 20 0 GIADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1ccccc1C(=O)c1ccc(F)cc1 ZINC000461262473 823607797 /nfs/dbraw/zinc/60/77/97/823607797.db2.gz JDLGARFZOKMTOH-IBGZPJMESA-N 1 0 382.479 4.003 20 0 GIADRO O[C@@H](c1ccccc1)C1CC[NH+](Cc2c[nH]nc2-c2c(F)cccc2F)CC1 ZINC000124575453 823607839 /nfs/dbraw/zinc/60/78/39/823607839.db2.gz LTINVLDAYRMBDT-QFIPXVFZSA-N 1 0 383.442 4.301 20 0 GIADRO Brc1ccccc1-c1noc([C@@H]2CCC[N@@H+]2CC2CCOCC2)n1 ZINC000190781398 823608086 /nfs/dbraw/zinc/60/80/86/823608086.db2.gz JEWWQXFONIHGDJ-INIZCTEOSA-N 1 0 392.297 4.063 20 0 GIADRO Brc1cc2cccnc2c(C[NH+]2CCC(c3ccncn3)CC2)c1 ZINC000411821761 823608601 /nfs/dbraw/zinc/60/86/01/823608601.db2.gz ABDRPNYKZMXBGQ-UHFFFAOYSA-N 1 0 383.293 4.167 20 0 GIADRO C[C@@H](Sc1ccc(Br)cc1)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000461265981 823608871 /nfs/dbraw/zinc/60/88/71/823608871.db2.gz PPVRNIYGOXVELK-ZBFHGGJFSA-N 1 0 399.398 4.263 20 0 GIADRO COc1cc(C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cc(Cl)c1OCC(C)C ZINC000461269402 823609587 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Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CCSC2(CCC2)CC1 ZINC000411868528 823611506 /nfs/dbraw/zinc/61/15/06/823611506.db2.gz LDSZMPMOMKKOEL-UHFFFAOYSA-N 1 0 383.355 4.058 20 0 GIADRO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1Cc2ccccc2-c2ccccc2C1 ZINC000411867634 823611514 /nfs/dbraw/zinc/61/15/14/823611514.db2.gz JRBHYCWXXTWREZ-OAQYLSRUSA-N 1 0 392.568 4.413 20 0 GIADRO COC(=O)c1ccc(NC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)cc1 ZINC000061751343 823611769 /nfs/dbraw/zinc/61/17/69/823611769.db2.gz JBXAPWUFPIDVEL-UHFFFAOYSA-N 1 0 395.503 4.171 20 0 GIADRO CC[C@@H]([NH2+]CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1)c1ccccc1 ZINC000411877478 823612058 /nfs/dbraw/zinc/61/20/58/823612058.db2.gz CTYCVOAPNRPLQJ-IEBWSBKVSA-N 1 0 377.444 4.291 20 0 GIADRO COCCN(C)c1ccc(CNc2ccc(C[NH+]3CCC(C)CC3)cc2)cn1 ZINC000190819969 823612790 /nfs/dbraw/zinc/61/27/90/823612790.db2.gz VMSHCIIMFLYTHM-UHFFFAOYSA-N 1 0 382.552 4.008 20 0 GIADRO CO[C@H]1c2ccccc2C[C@H]1[NH2+]CC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000411891176 823613345 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CCC(CC)c1cc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)on1 ZINC000461437666 823637309 /nfs/dbraw/zinc/63/73/09/823637309.db2.gz IJSNZJWKTJNTNI-PMACEKPBSA-N 1 0 381.520 4.172 20 0 GIADRO C[C@H](CCc1ccccc1F)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461438334 823637379 /nfs/dbraw/zinc/63/73/79/823637379.db2.gz LERGXVKGTAJSKR-OIBXWCBGSA-N 1 0 394.534 4.375 20 0 GIADRO O=C(c1cccn1C1CCCC1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461440938 823638050 /nfs/dbraw/zinc/63/80/50/823638050.db2.gz FBAABOISNDPCKH-LEWJYISDSA-N 1 0 377.532 4.197 20 0 GIADRO O=C(N[C@H](c1ccccc1)[C@H]1CCOC1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412231494 823638098 /nfs/dbraw/zinc/63/80/98/823638098.db2.gz QBRHJIQJRJEJHL-XZOQPEGZSA-N 1 0 378.516 4.180 20 0 GIADRO CC[N@H+](CCC1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2OC)CC1)CC1CC1 ZINC000412235794 823638493 /nfs/dbraw/zinc/63/84/93/823638493.db2.gz YKOMFDGNVXNLDC-FCHUYYIVSA-N 1 0 384.564 4.159 20 0 GIADRO COc1cc(C[N@H+](C)[C@@H](C)c2ccc(F)c(F)c2)ccc1OC(=O)C1CC1 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XRFCXOJLNICWAH-VXKWHMMOSA-N 1 0 385.511 4.276 20 0 GIADRO O=C(CCc1cnc2ccccc2c1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461451822 823640588 /nfs/dbraw/zinc/64/05/88/823640588.db2.gz UAIXCMCQLYUMTJ-RPWUZVMVSA-N 1 0 399.538 4.148 20 0 GIADRO Cc1nc(CC(C)C)sc1C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461454904 823641115 /nfs/dbraw/zinc/64/11/15/823641115.db2.gz ISTRENGXPZRJME-PMACEKPBSA-N 1 0 397.588 4.244 20 0 GIADRO C[C@H](NC(=O)[C@@H]1CC(C)(C)Oc2ccccc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000412263800 823641269 /nfs/dbraw/zinc/64/12/69/823641269.db2.gz ZXOMXIVLDHUQCY-CZTZKLFOSA-N 1 0 392.543 4.358 20 0 GIADRO C[C@@H]1CCC[C@@H](CC(=O)NC2CC[NH+](CCOc3ccc(F)cc3)CC2)C1 ZINC000461456187 823641509 /nfs/dbraw/zinc/64/15/09/823641509.db2.gz ILZKJSKQYXSBOC-QZTJIDSGSA-N 1 0 376.516 4.002 20 0 GIADRO O=C(CCc1cc2ccccc2o1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461457180 823641623 /nfs/dbraw/zinc/64/16/23/823641623.db2.gz RSJCWJATRKGYFS-FGZHOGPDSA-N 1 0 388.511 4.346 20 0 GIADRO Cc1nc2ccccc2cc1C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461457771 823641668 /nfs/dbraw/zinc/64/16/68/823641668.db2.gz RFZDNOWYBGYYGS-VXKWHMMOSA-N 1 0 385.511 4.137 20 0 GIADRO CSCc1cc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)ccc1F ZINC000461457730 823641676 /nfs/dbraw/zinc/64/16/76/823641676.db2.gz VIJHTGGMVKFGJQ-PZJWPPBQSA-N 1 0 398.547 4.283 20 0 GIADRO COc1ccc(OC)c([C@H](O)C[NH2+][C@H](C)c2cc(Cl)sc2Cl)c1 ZINC000124972161 823641686 /nfs/dbraw/zinc/64/16/86/823641686.db2.gz CCOZYEBZMSPBRZ-NOZJJQNGSA-N 1 0 376.305 4.456 20 0 GIADRO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C(=O)c1cccc(Cc2ccccc2)c1 ZINC000412277593 823642332 /nfs/dbraw/zinc/64/23/32/823642332.db2.gz VZBMEOHUBCAEIF-DQEYMECFSA-N 1 0 399.538 4.437 20 0 GIADRO Cc1nc(-c2cccnc2)nc(NCc2ccc(C[NH+]3CCCCC3)cc2)c1C ZINC000461462411 823642583 /nfs/dbraw/zinc/64/25/83/823642583.db2.gz ZBYKYDRLTBDWFF-UHFFFAOYSA-N 1 0 387.531 4.175 20 0 GIADRO CC[C@@H](Nc1ccccc1)C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000461471883 823643804 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4.063 20 0 GIADRO COc1cccc(CN(CC[NH+](C)C)C(=O)Nc2cc(Cl)ccc2F)c1 ZINC000191090175 823647402 /nfs/dbraw/zinc/64/74/02/823647402.db2.gz DJFUPAAZQRHZHJ-UHFFFAOYSA-N 1 0 379.863 4.083 20 0 GIADRO CCCc1c(NC(=O)c2ccc(C[NH+](C)C)cc2)cnn1-c1ccc(F)cc1 ZINC000191092681 823647976 /nfs/dbraw/zinc/64/79/76/823647976.db2.gz CKEHSGZWMIQJFP-UHFFFAOYSA-N 1 0 380.467 4.278 20 0 GIADRO CCS(=O)(=O)CCCCC[NH2+][C@H](C)c1sc(-c2ccccc2)nc1C ZINC000191095839 823648512 /nfs/dbraw/zinc/64/85/12/823648512.db2.gz VZOKNLZRPFOOAB-OAHLLOKOSA-N 1 0 380.579 4.374 20 0 GIADRO O=C(NCCCCc1ccc(Cl)s1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412348931 823649030 /nfs/dbraw/zinc/64/90/30/823649030.db2.gz ZUFHQYQKYARQNY-OAHLLOKOSA-N 1 0 387.014 4.058 20 0 GIADRO CN(C)[C@H](C(=O)Nc1ccc(Br)c(F)c1)c1cccc(Cl)c1 ZINC000461499877 823649274 /nfs/dbraw/zinc/64/92/74/823649274.db2.gz XGDUYYAJSWGVNN-HNNXBMFYSA-N 1 0 385.664 4.483 20 0 GIADRO COc1ccc(OC)c([C@@H](O)C[NH2+][C@H](C)c2cccc(-c3ccncc3)c2)c1 ZINC000125065304 823649530 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GIADRO CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000461518064 823652637 /nfs/dbraw/zinc/65/26/37/823652637.db2.gz CLGHIJKGDJQFDF-ROUUACIJSA-N 1 0 384.524 4.355 20 0 GIADRO Cc1cc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c(C)n1-c1nccs1 ZINC000125116488 823652705 /nfs/dbraw/zinc/65/27/05/823652705.db2.gz QBDARELGCQVRAO-SFHVURJKSA-N 1 0 398.532 4.101 20 0 GIADRO COc1ccc([C@@H](C)N(C)C(=S)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000063147147 823653013 /nfs/dbraw/zinc/65/30/13/823653013.db2.gz LUUJQZGVDXIHPB-GOSISDBHSA-N 1 0 397.588 4.227 20 0 GIADRO C[NH+]1CCC(NC(=S)N(Cc2cccs2)c2ccc(F)cc2F)CC1 ZINC000063149969 823653181 /nfs/dbraw/zinc/65/31/81/823653181.db2.gz UAGSASRFWYAQOB-UHFFFAOYSA-N 1 0 381.517 4.002 20 0 GIADRO CCN(CCc1ccccc1)C(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000063149502 823653200 /nfs/dbraw/zinc/65/32/00/823653200.db2.gz MACJLXQBZIIDBC-UHFFFAOYSA-N 1 0 381.589 4.090 20 0 GIADRO Cc1csc(Sc2ccc(NC(=O)N3CC[NH+](CC4CC4)CC3)cc2)n1 ZINC000063162652 823653630 /nfs/dbraw/zinc/65/36/30/823653630.db2.gz BAVKFXUATVSDAJ-UHFFFAOYSA-N 1 0 388.562 4.162 20 0 GIADRO O=C(N[C@@H]1CC[C@H](c2cccc(Cl)c2)C1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412416910 823654214 /nfs/dbraw/zinc/65/42/14/823654214.db2.gz YKKOYAUUCZSZNW-DFQSSKMNSA-N 1 0 392.996 4.310 20 0 GIADRO C[C@@H]([NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1)c1csc(Cl)c1 ZINC000191154177 823654414 /nfs/dbraw/zinc/65/44/14/823654414.db2.gz PJICMVHSSSZCHJ-CQSZACIVSA-N 1 0 377.941 4.155 20 0 GIADRO Cc1c([C@H](C)[NH2+]C[C@H](O)c2ccco2)cnn1-c1ccc(Cl)cc1Cl ZINC000125145289 823654818 /nfs/dbraw/zinc/65/48/18/823654818.db2.gz ZQDPRATZUAMHNW-GTNSWQLSSA-N 1 0 380.275 4.465 20 0 GIADRO CCSc1cc(Cl)ccc1C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000125169390 823656395 /nfs/dbraw/zinc/65/63/95/823656395.db2.gz XVDOIBMYTMFSDZ-UHFFFAOYSA-N 1 0 396.984 4.217 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@@H](C)c2ccc(OCC(=O)NC3CC3)cc2)cnn1C(C)(C)C ZINC000191185009 823657306 /nfs/dbraw/zinc/65/73/06/823657306.db2.gz ICTZDBUJACLLLJ-HOTGVXAUSA-N 1 0 398.551 4.016 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)c3cc(Cl)ccc3F)CC2)cc1 ZINC000063263406 823658069 /nfs/dbraw/zinc/65/80/69/823658069.db2.gz FJVNELALRIITAW-UHFFFAOYSA-N 1 0 390.886 4.130 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NC1(c2ccc(F)cc2)CCC1 ZINC000063264729 823658147 /nfs/dbraw/zinc/65/81/47/823658147.db2.gz SAIYYGFJICTZAM-UHFFFAOYSA-N 1 0 396.510 4.087 20 0 GIADRO Cc1c([C@@H](C)[NH2+]CC2(c3ccc4c(c3)OCO4)CCOCC2)cnn1C(C)(C)C ZINC000191211004 823659562 /nfs/dbraw/zinc/65/95/62/823659562.db2.gz PFQWHJIZAIMGPA-MRXNPFEDSA-N 1 0 399.535 4.074 20 0 GIADRO Cc1ccc(C(=O)N[C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c(Cl)c1 ZINC000191218592 823660184 /nfs/dbraw/zinc/66/01/84/823660184.db2.gz VOFCKAPDAWKHBB-OAHLLOKOSA-N 1 0 389.902 4.030 20 0 GIADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2ccc(Oc3cccnc3)cc2)C1 ZINC000063297045 823660628 /nfs/dbraw/zinc/66/06/28/823660628.db2.gz HTERYRMSWPZVAR-QZTJIDSGSA-N 1 0 381.520 4.360 20 0 GIADRO CC(C)Oc1cccc(C[NH+]2CCC(C(=O)NCCc3cccs3)CC2)c1 ZINC000063301194 823661129 /nfs/dbraw/zinc/66/11/29/823661129.db2.gz NSUIBOZOTQZPJO-UHFFFAOYSA-N 1 0 386.561 4.106 20 0 GIADRO C[C@H](c1ccc(F)c(F)c1)[NH+]1CCC(C(=O)NCCc2cccs2)CC1 ZINC000063301025 823661146 /nfs/dbraw/zinc/66/11/46/823661146.db2.gz GCEDRDNPDQEUFP-CQSZACIVSA-N 1 0 378.488 4.158 20 0 GIADRO c1ccc(OCc2cccnc2)c(CNC2CC[NH+](CC3CCCC3)CC2)c1 ZINC000063319745 823662171 /nfs/dbraw/zinc/66/21/71/823662171.db2.gz YFGOIVYFMJVFBM-UHFFFAOYSA-N 1 0 379.548 4.405 20 0 GIADRO COc1ccc(C(=O)CCC(=O)Nc2ccc(C[NH+](C)C)cc2F)c(Cl)c1 ZINC000412561427 823662396 /nfs/dbraw/zinc/66/23/96/823662396.db2.gz TWZLLSKRYUZQJU-UHFFFAOYSA-N 1 0 392.858 4.151 20 0 GIADRO CCOc1cccc([C@@H](C)NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000063323161 823662610 /nfs/dbraw/zinc/66/26/10/823662610.db2.gz USZSGZMQCYQYBY-GOSISDBHSA-N 1 0 381.520 4.242 20 0 GIADRO C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000412562652 823662726 /nfs/dbraw/zinc/66/27/26/823662726.db2.gz XUFHTJIHRFBXLQ-CYBMUJFWSA-N 1 0 376.859 4.388 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)c1ccc(C)c2ccccc12 ZINC000412565077 823662895 /nfs/dbraw/zinc/66/28/95/823662895.db2.gz BVPGJTFEAPQTSY-UHFFFAOYSA-N 1 0 378.472 4.350 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)c1cc2cc(C)ccc2nc1C ZINC000412564019 823662903 /nfs/dbraw/zinc/66/29/03/823662903.db2.gz NBFBMFORTIVVPX-UHFFFAOYSA-N 1 0 393.487 4.053 20 0 GIADRO CC(=O)Nc1ccc(Cl)c(C(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)c1 ZINC000125265210 823663273 /nfs/dbraw/zinc/66/32/73/823663273.db2.gz HRQADZVCORSXHA-GOSISDBHSA-N 1 0 391.943 4.073 20 0 GIADRO CCOc1cccc([C@H](C)[NH2+][C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)c1 ZINC000125262396 823663158 /nfs/dbraw/zinc/66/31/58/823663158.db2.gz TWNYGBUXSYABCQ-IRXDYDNUSA-N 1 0 388.533 4.037 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)CCCc1cc(C)sc1C ZINC000412567112 823663192 /nfs/dbraw/zinc/66/31/92/823663192.db2.gz XBGBYUFTFKNWAA-UHFFFAOYSA-N 1 0 390.549 4.275 20 0 GIADRO Cc1cc(C)c([C@H](C)[NH2+]Cc2ccccc2CS(=O)(=O)NC(C)C)cc1C ZINC000125271437 823663893 /nfs/dbraw/zinc/66/38/93/823663893.db2.gz OURPCEPCEVSNKM-IBGZPJMESA-N 1 0 388.577 4.290 20 0 GIADRO CCC[C@@H]([NH2+][C@H](C)c1cnn(C(C)C)c1C)C(=O)N1CCc2sccc2C1 ZINC000191256748 823663992 /nfs/dbraw/zinc/66/39/92/823663992.db2.gz XRFUNSSAMIWRKI-DNVCBOLYSA-N 1 0 388.581 4.238 20 0 GIADRO COc1cc(Cl)c(Cl)cc1NC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000191275792 823666263 /nfs/dbraw/zinc/66/62/63/823666263.db2.gz CFLZKSKERUJHRN-ZDUSSCGKSA-N 1 0 386.323 4.342 20 0 GIADRO Cc1c([C@@H](C)[NH2+][C@@H]2CCCN(Cc3c(F)cccc3F)C2)cnn1C(C)C ZINC000191279043 823666772 /nfs/dbraw/zinc/66/67/72/823666772.db2.gz IBHIAJRUUJTJDH-NVXWUHKLSA-N 1 0 376.495 4.366 20 0 GIADRO COc1cc(Cl)c(Cl)cc1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000191284131 823667230 /nfs/dbraw/zinc/66/72/30/823667230.db2.gz FKPSGKWIJUWGNJ-YVEFUNNKSA-N 1 0 398.334 4.483 20 0 GIADRO CCOc1cccc([C@@H](C)NC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)c1 ZINC000063404513 823668629 /nfs/dbraw/zinc/66/86/29/823668629.db2.gz MOOBFPMMSDBMBN-LJQANCHMSA-N 1 0 387.568 4.444 20 0 GIADRO CCOc1cccc([C@@H](C)NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000063404662 823668724 /nfs/dbraw/zinc/66/87/24/823668724.db2.gz OVPCJNJXINBNRY-GOSISDBHSA-N 1 0 381.520 4.242 20 0 GIADRO CCOc1cccc([C@@H](C)NC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000063405113 823668807 /nfs/dbraw/zinc/66/88/07/823668807.db2.gz NXVHZLWVIFGDCK-CEXWTWQISA-N 1 0 375.557 4.204 20 0 GIADRO Cc1c([C@@H](C)[NH2+]CC2CCN(C(=O)c3ccccc3)CC2)cnn1C(C)(C)C ZINC000191300116 823669032 /nfs/dbraw/zinc/66/90/32/823669032.db2.gz UPLLILPQNNSZMH-QGZVFWFLSA-N 1 0 382.552 4.150 20 0 GIADRO CN(CCCc1cc(-c2ccccc2)no1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000125338738 823669195 /nfs/dbraw/zinc/66/91/95/823669195.db2.gz HDSSRDYHSBJIGC-UHFFFAOYSA-N 1 0 398.551 4.036 20 0 GIADRO C[NH+](C)CC1CCC(NC(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)CC1 ZINC000125344445 823669486 /nfs/dbraw/zinc/66/94/86/823669486.db2.gz FUDKFRSZHYBIIA-UHFFFAOYSA-N 1 0 388.943 4.009 20 0 GIADRO C[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccccc2C(=O)c2cccs2)CC1 ZINC000125349574 823669868 /nfs/dbraw/zinc/66/98/68/823669868.db2.gz XVWBEJXECGRKMS-INIZCTEOSA-N 1 0 382.529 4.068 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)N[C@H]2CCCc3c(O)cccc32)CC1 ZINC000191316418 823670784 /nfs/dbraw/zinc/67/07/84/823670784.db2.gz QFVXSYOGGJBYMW-QFIPXVFZSA-N 1 0 393.531 4.076 20 0 GIADRO Cc1c([C@@H](C)[NH2+]CC(=O)N2CCC(Cc3ccccc3)CC2)cnn1C(C)(C)C ZINC000191325179 823671976 /nfs/dbraw/zinc/67/19/76/823671976.db2.gz KTMJCVZEQMDTHM-GOSISDBHSA-N 1 0 396.579 4.078 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@@H](C)c1cnn(C(C)C)c1C ZINC000191326431 823672189 /nfs/dbraw/zinc/67/21/89/823672189.db2.gz OBWGNGHAEJXQAT-ZDUSSCGKSA-N 1 0 378.904 4.114 20 0 GIADRO CCN(CCC[NH+](C)C)C(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1 ZINC000191327145 823672215 /nfs/dbraw/zinc/67/22/15/823672215.db2.gz HMFNPULDLCWLNN-UHFFFAOYSA-N 1 0 390.915 4.120 20 0 GIADRO CCc1cccc(C)c1NC(=O)COc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000063457397 823672577 /nfs/dbraw/zinc/67/25/77/823672577.db2.gz CIECZRHECYLLGY-UHFFFAOYSA-N 1 0 396.531 4.440 20 0 GIADRO CCc1ccc(CN(C)C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000063464484 823673220 /nfs/dbraw/zinc/67/32/20/823673220.db2.gz DVGKPKYKGWTQNX-HSZRJFAPSA-N 1 0 379.548 4.303 20 0 GIADRO CN(CCCOc1ccccc1)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000063464682 823673421 /nfs/dbraw/zinc/67/34/21/823673421.db2.gz KFVISMXLORPLLA-QFIPXVFZSA-N 1 0 395.547 4.009 20 0 GIADRO COc1ccc(C[N@H+](C)Cc2cc(OC)c(OC)cc2C)cc1OC(F)F ZINC000125409800 823673958 /nfs/dbraw/zinc/67/39/58/823673958.db2.gz KISCGBRMKLQVOD-UHFFFAOYSA-N 1 0 381.419 4.254 20 0 GIADRO COc1ccc(OC)c([C@H]2C[C@H]2C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)c1 ZINC000191340009 823674013 /nfs/dbraw/zinc/67/40/13/823674013.db2.gz OOAVHQHXLNTIRA-IFMALSPDSA-N 1 0 394.515 4.084 20 0 GIADRO COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)c1 ZINC000191339993 823674031 /nfs/dbraw/zinc/67/40/31/823674031.db2.gz OOAVHQHXLNTIRA-RBBKRZOGSA-N 1 0 394.515 4.084 20 0 GIADRO CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)[C@H](CC)[NH+](CC)CC ZINC000461646044 823674623 /nfs/dbraw/zinc/67/46/23/823674623.db2.gz CXSSHMORVFSFTF-KRWDZBQOSA-N 1 0 392.931 4.249 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F)C1CCOCC1 ZINC000125418245 823674719 /nfs/dbraw/zinc/67/47/19/823674719.db2.gz YXNULPLNRNRDJF-MNOVXSKESA-N 1 0 378.822 4.091 20 0 GIADRO Cc1c2cc(F)ccc2oc1CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000125425493 823675202 /nfs/dbraw/zinc/67/52/02/823675202.db2.gz FPIKMYIBHULORI-KXBFYZLASA-N 1 0 385.483 4.039 20 0 GIADRO COC(=O)c1cccc(OCC[NH+]2CCC(c3nc4ccccc4s3)CC2)c1 ZINC000063482599 823675379 /nfs/dbraw/zinc/67/53/79/823675379.db2.gz YFRAUEHJBAOLLK-UHFFFAOYSA-N 1 0 396.512 4.341 20 0 GIADRO C[NH+](C)CCN(CCCc1ccccc1)C(=O)c1nc(Cl)ccc1Cl ZINC000063485886 823675498 /nfs/dbraw/zinc/67/54/98/823675498.db2.gz DDNHKSLSMRNSHA-UHFFFAOYSA-N 1 0 380.319 4.025 20 0 GIADRO Clc1sc(C[NH2+][C@H]2CCO[C@]3(CCSC3)C2)cc1Br ZINC000191365356 823676977 /nfs/dbraw/zinc/67/69/77/823676977.db2.gz VMXGFVCCFJMRPW-TVQRCGJNSA-N 1 0 382.776 4.308 20 0 GIADRO C[C@@H](NC(=O)CCc1nc2ccccc2n1-c1ccccc1)C(C)(C)C[NH+](C)C ZINC000461665611 823677494 /nfs/dbraw/zinc/67/74/94/823677494.db2.gz YQMSFOHEEIRZBB-GOSISDBHSA-N 1 0 392.547 4.051 20 0 GIADRO COc1ccccc1C[N@H+](C[C@H](O)COc1cccc(C(F)(F)F)c1)C1CC1 ZINC000063523860 823677617 /nfs/dbraw/zinc/67/76/17/823677617.db2.gz CCVWDRUZSFBGAG-SFHVURJKSA-N 1 0 395.421 4.118 20 0 GIADRO CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+]Cc2cccc3ccccc32)cc1 ZINC000063546344 823678737 /nfs/dbraw/zinc/67/87/37/823678737.db2.gz DUWYQZOJPKMALZ-UHFFFAOYSA-N 1 0 382.529 4.159 20 0 GIADRO Cc1c([C@H](C)[NH2+]C[C@H](CO)Cc2ccc(OC(F)(F)F)cc2)cnn1C(C)C ZINC000191383135 823678832 /nfs/dbraw/zinc/67/88/32/823678832.db2.gz GFRAOJNLPHUEJA-WMLDXEAASA-N 1 0 399.457 4.173 20 0 GIADRO COc1ccc(Cl)cc1C1(C[NH2+]Cc2cnn(C(C)(C)C)c2)CCOCC1 ZINC000063551994 823679062 /nfs/dbraw/zinc/67/90/62/823679062.db2.gz YFYOTNPYINZSGZ-UHFFFAOYSA-N 1 0 391.943 4.138 20 0 GIADRO C[C@H](NC(=O)CCSc1ccccc1Br)C(C)(C)C[NH+](C)C ZINC000461676102 823679312 /nfs/dbraw/zinc/67/93/12/823679312.db2.gz WAQDFSZSTCQTQP-ZDUSSCGKSA-N 1 0 387.387 4.024 20 0 GIADRO C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[NH+]1CCC(OC2CCCCC2)CC1 ZINC000125478775 823679603 /nfs/dbraw/zinc/67/96/03/823679603.db2.gz VYVYQTIPALDVQB-SFHVURJKSA-N 1 0 397.563 4.029 20 0 GIADRO Cc1ccc(N2CCC[C@H]([NH2+][C@@H](C)c3cccc(N4CCOC4=O)c3)C2)cc1 ZINC000125498640 823680900 /nfs/dbraw/zinc/68/09/00/823680900.db2.gz NWOBISITWSNKJG-ICSRJNTNSA-N 1 0 379.504 4.271 20 0 GIADRO Cc1ccc(CCCCC(=O)Nc2ccc(CN3CC[NH+](C)CC3)cc2)cc1 ZINC000063593662 823681846 /nfs/dbraw/zinc/68/18/46/823681846.db2.gz YQNFDXPYNFTVIP-UHFFFAOYSA-N 1 0 379.548 4.094 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCCN(c2cccc(F)c2)C1)c1ccc(N2CCOC2=O)cc1 ZINC000125598859 823688768 /nfs/dbraw/zinc/68/87/68/823688768.db2.gz OGNYZZGVZFLTSF-QFBILLFUSA-N 1 0 383.467 4.102 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCCN(c2cccc(F)c2)C1)c1ccc(N2CCOC2=O)cc1 ZINC000125599146 823688876 /nfs/dbraw/zinc/68/88/76/823688876.db2.gz OGNYZZGVZFLTSF-VQIMIIECSA-N 1 0 383.467 4.102 20 0 GIADRO CCCn1ccnc1CCC[N@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000191482364 823689483 /nfs/dbraw/zinc/68/94/83/823689483.db2.gz CSBALYUALYDFIG-UHFFFAOYSA-N 1 0 383.323 4.103 20 0 GIADRO CCCn1ccnc1CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000191483239 823689701 /nfs/dbraw/zinc/68/97/01/823689701.db2.gz GIOCAKWPQAHXOI-HNNXBMFYSA-N 1 0 396.457 4.204 20 0 GIADRO Cc1cccc(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000063694902 823689887 /nfs/dbraw/zinc/68/98/87/823689887.db2.gz FFKLNIHKZZEOAI-LJQANCHMSA-N 1 0 393.531 4.098 20 0 GIADRO O=C(NCCCCCCC[NH+]1CCCC1)c1ccc(Br)c(F)c1 ZINC000063704644 823690190 /nfs/dbraw/zinc/69/01/90/823690190.db2.gz ANUKNXMQKBJDEP-UHFFFAOYSA-N 1 0 385.321 4.364 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(OC)c(OC(F)F)c2)cc1NC(C)=O ZINC000125623431 823690979 /nfs/dbraw/zinc/69/09/79/823690979.db2.gz PBCWNIBPBHVWFE-GFCCVEGCSA-N 1 0 394.418 4.114 20 0 GIADRO Brc1cccc([C@H]([NH2+]CCc2cccnc2)C2CCOCC2)c1 ZINC000191493124 823691009 /nfs/dbraw/zinc/69/10/09/823691009.db2.gz VWYTXWMKTCXQOV-LJQANCHMSA-N 1 0 375.310 4.144 20 0 GIADRO COc1ccc2c(c1)[C@@H]([NH2+][C@@H](CN1CCCC1=O)c1ccccc1)CCS2 ZINC000191496961 823691611 /nfs/dbraw/zinc/69/16/11/823691611.db2.gz FFGAPPQMHWOJFU-PMACEKPBSA-N 1 0 382.529 4.185 20 0 GIADRO CC(C)c1c(C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cnn1-c1ccc(F)cc1 ZINC000063723078 823691648 /nfs/dbraw/zinc/69/16/48/823691648.db2.gz OSZFBEAPLQDALT-UHFFFAOYSA-N 1 0 386.515 4.081 20 0 GIADRO O=C1OCC[C@@H]1CC[NH+]1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000125637996 823692296 /nfs/dbraw/zinc/69/22/96/823692296.db2.gz NHDBETSYQQSSJD-UNMCSNQZSA-N 1 0 398.934 4.000 20 0 GIADRO C[C@@H]([NH2+]C[C@H](O)c1ccc(OC(F)(F)F)cc1)c1ccc(-n2ccnc2)cc1 ZINC000125646310 823692979 /nfs/dbraw/zinc/69/29/79/823692979.db2.gz PWJFFNZOTQJPDA-KUHUBIRLSA-N 1 0 391.393 4.155 20 0 GIADRO COc1cccc(N2CC[C@H](C[NH2+][C@@H]3CCSc4ccc(OC)cc43)C2)c1 ZINC000191507901 823693252 /nfs/dbraw/zinc/69/32/52/823693252.db2.gz SDSHLVLLKGJIBN-IIBYNOLFSA-N 1 0 384.545 4.357 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NC[C@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000461766757 823693323 /nfs/dbraw/zinc/69/33/23/823693323.db2.gz XYADHWNHVYTIFT-IRMYBRCSSA-N 1 0 399.579 4.203 20 0 GIADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2cc(-c3ccccc3Cl)on2)C1 ZINC000063758327 823693703 /nfs/dbraw/zinc/69/37/03/823693703.db2.gz BWNWTGHDTRFXQD-OAHLLOKOSA-N 1 0 375.900 4.237 20 0 GIADRO COc1ccc(NC(=O)C[N@H+](CCc2ccccc2)C2CCCC2)c(OC)c1 ZINC000063754852 823693761 /nfs/dbraw/zinc/69/37/61/823693761.db2.gz LOEWDHQLZYTFSA-UHFFFAOYSA-N 1 0 382.504 4.130 20 0 GIADRO Cc1ccc2nc(C[N@H+]3CC=C(c4cccc5ccccc54)CC3)cc(=O)n2c1 ZINC000063762822 823693957 /nfs/dbraw/zinc/69/39/57/823693957.db2.gz KVCVCXRIXGJYGF-UHFFFAOYSA-N 1 0 381.479 4.445 20 0 GIADRO CCCn1ccnc1CCC[N@H+](C)CC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000191516774 823694377 /nfs/dbraw/zinc/69/43/77/823694377.db2.gz BIWFRLMKSOVMPY-IBGZPJMESA-N 1 0 392.547 4.188 20 0 GIADRO CN(CC[N@H+](C)C1CCCCC1)C(=O)C1(c2ccc(Br)cc2)CC1 ZINC000063771579 823694675 /nfs/dbraw/zinc/69/46/75/823694675.db2.gz QOOOMHGXNXIJRE-UHFFFAOYSA-N 1 0 393.369 4.204 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+]CCC1CCN(CC(F)(F)F)CC1)CCS2 ZINC000191522121 823694957 /nfs/dbraw/zinc/69/49/57/823694957.db2.gz LXNVTKIFNSPMAB-QGZVFWFLSA-N 1 0 388.499 4.486 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)NCc2c(C)cc(C)cc2C)CC1 ZINC000063776870 823695084 /nfs/dbraw/zinc/69/50/84/823695084.db2.gz GXEKPFJNVPHDPP-UHFFFAOYSA-N 1 0 380.536 4.075 20 0 GIADRO CCCOc1c(Cl)cc(C(=O)N(C)CC[N@H+](C)C2CCCCC2)cc1OC ZINC000063778412 823695258 /nfs/dbraw/zinc/69/52/58/823695258.db2.gz JYGUNLFLKKSQAW-UHFFFAOYSA-N 1 0 396.959 4.474 20 0 GIADRO COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCN(C(=O)CCc3ccccc3)C1)CCS2 ZINC000191524828 823695362 /nfs/dbraw/zinc/69/53/62/823695362.db2.gz MAGDQJFOZJLLKL-NQIIRXRSSA-N 1 0 396.556 4.055 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)NCC(C)(C)c2ccc(OC)cc2)cc1 ZINC000063785832 823695736 /nfs/dbraw/zinc/69/57/36/823695736.db2.gz ZEORYJMIKZIIMZ-UHFFFAOYSA-N 1 0 397.563 4.314 20 0 GIADRO c1cc(C[NH+]2CCCCC2)cc(-c2noc(CCCc3nc(C4CC4)no3)n2)c1 ZINC000125679104 823696029 /nfs/dbraw/zinc/69/60/29/823696029.db2.gz MKBWIWLLLQWGEA-UHFFFAOYSA-N 1 0 393.491 4.158 20 0 GIADRO CCc1noc(C2CCC([NH2+][C@H](C)c3nc(-c4cccc(F)c4)no3)CC2)n1 ZINC000191533026 823696728 /nfs/dbraw/zinc/69/67/28/823696728.db2.gz UASHSFAUTKJXAZ-VEAWUBTESA-N 1 0 385.443 4.198 20 0 GIADRO Fc1ccc(-c2nnc(SCC[N@@H+]3CCCOCC3)c3ccccc32)cc1 ZINC000412982542 823697033 /nfs/dbraw/zinc/69/70/33/823697033.db2.gz KRXJPQNTAODTBJ-UHFFFAOYSA-N 1 0 383.492 4.250 20 0 GIADRO CCOC(=O)N1CCC([NH2+][C@@H](C)c2sc(Cc3ccccc3)nc2C)CC1 ZINC000125699101 823698005 /nfs/dbraw/zinc/69/80/05/823698005.db2.gz SWEBJPDKCBHWCY-HNNXBMFYSA-N 1 0 387.549 4.314 20 0 GIADRO COc1cccc(Cc2nnc(S[C@@H]3CC[N@H+](Cc4ccccc4)C3)o2)c1 ZINC000412996892 823699180 /nfs/dbraw/zinc/69/91/80/823699180.db2.gz UUCQTXXIGUCSJN-LJQANCHMSA-N 1 0 381.501 4.036 20 0 GIADRO CCOC(=O)c1csc(CC[NH2+][C@H]2CCCOc3c(Cl)cccc32)n1 ZINC000191555735 823699221 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20 0 GIADRO CC1CC[NH+](CCCCNC(=O)N[C@H](c2cccc(F)c2)c2ccccn2)CC1 ZINC000125735918 823701947 /nfs/dbraw/zinc/70/19/47/823701947.db2.gz CWTYZWXFEVKGAK-JOCHJYFZSA-N 1 0 398.526 4.121 20 0 GIADRO C[C@H](NC1CC[NH+](Cc2ccccc2Cl)CC1)c1nc(C(C)(C)C)no1 ZINC000191574312 823702499 /nfs/dbraw/zinc/70/24/99/823702499.db2.gz XQLGVXSHSLVOSK-AWEZNQCLSA-N 1 0 376.932 4.336 20 0 GIADRO COC[C@@H](C)Oc1ccc(Cl)cc1NC1CC[NH+](Cc2ccccn2)CC1 ZINC000191574948 823702521 /nfs/dbraw/zinc/70/25/21/823702521.db2.gz LDAMBNSHCRNETG-MRXNPFEDSA-N 1 0 389.927 4.225 20 0 GIADRO C[C@@H](CNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)CC(F)(F)F ZINC000413073766 823703472 /nfs/dbraw/zinc/70/34/72/823703472.db2.gz IKEMPXSRUKOIED-CYBMUJFWSA-N 1 0 391.865 4.192 20 0 GIADRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(-c3nc4ccccc4s3)s2)C1 ZINC000063865840 823703851 /nfs/dbraw/zinc/70/38/51/823703851.db2.gz QKPPNYZFRIHUSY-AWEZNQCLSA-N 1 0 385.558 4.487 20 0 GIADRO Cc1cccc([C@@H](NC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)c2ccccn2)c1 ZINC000125750446 823703935 /nfs/dbraw/zinc/70/39/35/823703935.db2.gz WYPKQOUSZFQFGB-NZQKXSOJSA-N 1 0 394.563 4.433 20 0 GIADRO Cc1ccc(OC2CCN(C(=O)[C@@H]3C[NH2+]C[C@H]3c3ccc(Cl)cc3)CC2)cc1 ZINC000574336066 823704583 /nfs/dbraw/zinc/70/45/83/823704583.db2.gz FFESPHYDNARJAQ-FCHUYYIVSA-N 1 0 398.934 4.021 20 0 GIADRO C[C@@H]1C[C@@H](CC[NH2+]CC2=Cc3cc(Br)ccc3OC2)C[C@H](C)O1 ZINC000574341901 823705108 /nfs/dbraw/zinc/70/51/08/823705108.db2.gz LLIBMJKTIKRQOQ-QDMKHBRRSA-N 1 0 380.326 4.408 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CCCO[C@@H](C)c2ccccc2)cc1 ZINC000163381137 823705087 /nfs/dbraw/zinc/70/50/87/823705087.db2.gz DFTLXTMVXQIEJB-MSOLQXFVSA-N 1 0 390.549 4.267 20 0 GIADRO C[C@@H]1CC(CC[NH2+]CC2=Cc3cc(Br)ccc3OC2)C[C@@H](C)O1 ZINC000574341902 823705158 /nfs/dbraw/zinc/70/51/58/823705158.db2.gz LLIBMJKTIKRQOQ-ZIAGYGMSSA-N 1 0 380.326 4.408 20 0 GIADRO COc1ccccc1S(=O)(=O)CCC[NH2+]C(C)(C)c1ccc(Cl)cc1 ZINC000574344832 823705473 /nfs/dbraw/zinc/70/54/73/823705473.db2.gz IMTUIPBQVYEAOU-UHFFFAOYSA-N 1 0 381.925 4.037 20 0 GIADRO O=C1Nc2ccccc2C12CCC([NH2+][C@@H]1CCN(c3cccc(Cl)c3)C1)CC2 ZINC000163385830 823705766 /nfs/dbraw/zinc/70/57/66/823705766.db2.gz GNNVHKRCSBLQPK-FRIYVGAWSA-N 1 0 395.934 4.341 20 0 GIADRO Cc1cc(-c2nnc(C[N@@H+]3CCCCC[C@H]3C[C@H](O)c3ccco3)o2)c(C)o1 ZINC000163400050 823706481 /nfs/dbraw/zinc/70/64/81/823706481.db2.gz JUIGXVHJRPJGNR-WMZOPIPTSA-N 1 0 385.464 4.408 20 0 GIADRO CC(C)CC(=O)N1CCC([NH2+][C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000163417331 823707845 /nfs/dbraw/zinc/70/78/45/823707845.db2.gz KOCGAWHLJYBAKL-GOSISDBHSA-N 1 0 379.342 4.063 20 0 GIADRO C[C@@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000163427750 823708488 /nfs/dbraw/zinc/70/84/88/823708488.db2.gz FBQDVOMTKNIQIH-JSGCOSHPSA-N 1 0 381.307 4.275 20 0 GIADRO C[NH+](C)Cc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)cc1 ZINC000125781192 823708976 /nfs/dbraw/zinc/70/89/76/823708976.db2.gz NQKIBSKOLRZHKX-UHFFFAOYSA-N 1 0 379.485 4.059 20 0 GIADRO COc1ccc(Oc2cc(C[NH2+][C@@H](C)c3ccc4c(c3)OCO4)ccn2)cc1 ZINC000163439811 823709768 /nfs/dbraw/zinc/70/97/68/823709768.db2.gz JDQAJLYBTDSABS-HNNXBMFYSA-N 1 0 378.428 4.462 20 0 GIADRO O=C(Nc1ccccc1OCC(F)(F)F)c1cccc(C[NH+]2CCCC2)c1 ZINC000063916136 823711026 /nfs/dbraw/zinc/71/10/26/823711026.db2.gz MVYADNDHWYHCCO-UHFFFAOYSA-N 1 0 378.394 4.476 20 0 GIADRO CC[N@@H+]1CCC[C@H](CNCc2cc(OC)c(OCc3ccccc3)c(OC)c2)C1 ZINC000063917524 823711451 /nfs/dbraw/zinc/71/14/51/823711451.db2.gz JHRCEMPNYAJAMO-HXUWFJFHSA-N 1 0 398.547 4.104 20 0 GIADRO C[C@](Cc1ccccc1)(NC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000413127397 823711562 /nfs/dbraw/zinc/71/15/62/823711562.db2.gz VRRBPJCWUPXQNZ-WPFOTENUSA-N 1 0 377.532 4.071 20 0 GIADRO C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)[NH+]1CCC(c2ccncc2)CC1 ZINC000191623110 823716997 /nfs/dbraw/zinc/71/69/97/823716997.db2.gz VXENKNBAMXFEDK-HNNXBMFYSA-N 1 0 389.902 4.101 20 0 GIADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC3(CCOCC3)[C@H]2c2ccccc2)C1 ZINC000413157686 823717719 /nfs/dbraw/zinc/71/77/19/823717719.db2.gz AAIWUYPGDQFASK-PZJWPPBQSA-N 1 0 399.579 4.060 20 0 GIADRO CCc1nn(C)c(CC)c1C[NH2+][C@@H](C)c1ccc(Br)cc1OC ZINC000191629976 823718668 /nfs/dbraw/zinc/71/86/68/823718668.db2.gz OBJWKQOITIMOKW-LBPRGKRZSA-N 1 0 380.330 4.167 20 0 GIADRO Cc1ccc(N2CCC([NH2+][C@@H](C)c3ccc(F)cc3OC(F)F)CC2)nc1 ZINC000163533761 823719009 /nfs/dbraw/zinc/71/90/09/823719009.db2.gz XCPQZIDJZKZUKM-AWEZNQCLSA-N 1 0 379.426 4.450 20 0 GIADRO COc1ccccc1-c1nc(C2CC[NH+](Cc3cc(Cl)ccc3O)CC2)no1 ZINC000191632090 823719596 /nfs/dbraw/zinc/71/95/96/823719596.db2.gz CQEMDQCFYORIHZ-UHFFFAOYSA-N 1 0 399.878 4.484 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+][C@@H]2CCc3c2cccc3Cl)cc1 ZINC000163551699 823720492 /nfs/dbraw/zinc/72/04/92/823720492.db2.gz KUJYRRBLLCEDDM-BFUOFWGJSA-N 1 0 378.925 4.440 20 0 GIADRO COc1cccc(Cl)c1CNCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000191634154 823720772 /nfs/dbraw/zinc/72/07/72/823720772.db2.gz URKWWLUSVCZWOM-UHFFFAOYSA-N 1 0 387.955 4.169 20 0 GIADRO CCc1c(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)cnn1-c1ccccc1C ZINC000191645062 823722602 /nfs/dbraw/zinc/72/26/02/823722602.db2.gz KKUAGAJSRHAHMU-UHFFFAOYSA-N 1 0 383.540 4.128 20 0 GIADRO CC1(C)[C@H]([NH2+]C[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)C[C@@H]1Oc1ccccc1 ZINC000574421964 823725052 /nfs/dbraw/zinc/72/50/52/823725052.db2.gz ZULGBEJWDZJXDY-HCXYKTFWSA-N 1 0 383.492 4.003 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[N@H+](C)CCCCS(C)(=O)=O ZINC000163587073 823725542 /nfs/dbraw/zinc/72/55/42/823725542.db2.gz MHVMCHIOFHDVFC-INIZCTEOSA-N 1 0 380.579 4.245 20 0 GIADRO COc1ccc(-c2cnc(C[N@H+](C[C@@H](C)c3ccccc3)[C@@H](C)CO)o2)cc1 ZINC000574423906 823725827 /nfs/dbraw/zinc/72/58/27/823725827.db2.gz YDNDLLYPASJCHE-MSOLQXFVSA-N 1 0 380.488 4.337 20 0 GIADRO C[C@@H]([NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc([S@@](C)=O)cc1 ZINC000163590630 823726333 /nfs/dbraw/zinc/72/63/33/823726333.db2.gz XOKUVLRTJUOHKV-DXPJPUQTSA-N 1 0 390.980 4.393 20 0 GIADRO COc1cc(-c2nc(CC34CCC[NH+]3CCC4)no2)ccc1OC1CCCC1 ZINC000574429699 823726863 /nfs/dbraw/zinc/72/68/63/823726863.db2.gz OCEJTXAYUUWDLO-UHFFFAOYSA-N 1 0 383.492 4.238 20 0 GIADRO Oc1cccc2c1CCC[C@@H]2[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000191665485 823727494 /nfs/dbraw/zinc/72/74/94/823727494.db2.gz WAZIRDSOPNCZAL-INIZCTEOSA-N 1 0 390.277 4.093 20 0 GIADRO CCN(Cc1occc1C)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000413205946 823727731 /nfs/dbraw/zinc/72/77/31/823727731.db2.gz QLHYJBHWWYGTCK-KRWDZBQOSA-N 1 0 375.538 4.093 20 0 GIADRO CC[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)CC(F)(F)F ZINC000413212744 823729394 /nfs/dbraw/zinc/72/93/94/823729394.db2.gz ZELMXSGHANFGKW-CABCVRRESA-N 1 0 391.503 4.238 20 0 GIADRO Cn1cc(C(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)c(C2CCC2)n1 ZINC000413214847 823729768 /nfs/dbraw/zinc/72/97/68/823729768.db2.gz NAQGIBFGTXQVHN-UHFFFAOYSA-N 1 0 394.563 4.382 20 0 GIADRO Fc1ccc(OC2CC[NH+](Cc3cccc(OCc4ccccn4)c3)CC2)cn1 ZINC000191676965 823730022 /nfs/dbraw/zinc/73/00/22/823730022.db2.gz ZQCGVUXIJKBUCD-UHFFFAOYSA-N 1 0 393.462 4.238 20 0 GIADRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C ZINC000191678449 823730570 /nfs/dbraw/zinc/73/05/70/823730570.db2.gz STXISCFEPPGYIA-IRXDYDNUSA-N 1 0 389.540 4.079 20 0 GIADRO CC(C)(C)OCc1cccc(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000125860095 823731319 /nfs/dbraw/zinc/73/13/19/823731319.db2.gz YQHGSOAWTZVUBR-UNMCSNQZSA-N 1 0 399.579 4.160 20 0 GIADRO O=C(CC[NH+]1CCN(c2ccccc2)CC1)Nc1ccccc1OC1CCCC1 ZINC000461872519 823731838 /nfs/dbraw/zinc/73/18/38/823731838.db2.gz UGEMPXVBBYYSAW-UHFFFAOYSA-N 1 0 393.531 4.159 20 0 GIADRO CC[C@@H]1c2ccsc2CCN1C(=O)CC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000461876156 823733779 /nfs/dbraw/zinc/73/37/79/823733779.db2.gz GLZAQBLDZYVEET-OAQYLSRUSA-N 1 0 397.588 4.105 20 0 GIADRO Cc1cc(N(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)nc(-c2cccs2)n1 ZINC000413230804 823734165 /nfs/dbraw/zinc/73/41/65/823734165.db2.gz DXTLFJPJAWUXNF-PXNSSMCTSA-N 1 0 379.533 4.038 20 0 GIADRO O=C(CS[C@H]1CCC[N@H+](Cc2ccccc2)C1)Nc1c(F)cccc1F ZINC000574452409 823734201 /nfs/dbraw/zinc/73/42/01/823734201.db2.gz GFZNWTHARRIQAT-INIZCTEOSA-N 1 0 376.472 4.301 20 0 GIADRO CC1(C(=O)N[C@@H]2CCCN(c3ccccc3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000163666089 823734483 /nfs/dbraw/zinc/73/44/83/823734483.db2.gz ZEUBNZQYPDVXQJ-JOCHJYFZSA-N 1 0 391.559 4.074 20 0 GIADRO Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000125880175 823735697 /nfs/dbraw/zinc/73/56/97/823735697.db2.gz MFBJQLCQKOTGHF-CVEARBPZSA-N 1 0 378.586 4.294 20 0 GIADRO O=C(CCCNC(=O)c1cccc(C[NH+]2CCCC2)c1)Nc1ccc(Cl)cc1 ZINC000064027270 823736375 /nfs/dbraw/zinc/73/63/75/823736375.db2.gz SQZKFRHEPFIBMR-UHFFFAOYSA-N 1 0 399.922 4.085 20 0 GIADRO CC(C)[N@@H+](Cc1ccc(NC(=O)N2CCC[C@@H](F)C2)cc1)C[C@H]1CCCCO1 ZINC000574462213 823737008 /nfs/dbraw/zinc/73/70/08/823737008.db2.gz BAPDMZBDBWFHDS-TZIWHRDSSA-N 1 0 391.531 4.432 20 0 GIADRO Cc1ccc(-c2nc(C(=O)NCc3cccc(C[NH+](C)C)c3)cs2)c(C)c1 ZINC000064032824 823738006 /nfs/dbraw/zinc/73/80/06/823738006.db2.gz NECKYLQQUXDTRK-UHFFFAOYSA-N 1 0 379.529 4.419 20 0 GIADRO COCOc1ccc(OC)cc1CNCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000163694860 823738196 /nfs/dbraw/zinc/73/81/96/823738196.db2.gz DIZLRGQDHYWCHS-IBGZPJMESA-N 1 0 398.547 4.200 20 0 GIADRO Cc1nc(C(F)(F)F)sc1C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000461885773 823738794 /nfs/dbraw/zinc/73/87/94/823738794.db2.gz AOQBBYSUUAWTIT-AWEZNQCLSA-N 1 0 383.439 4.037 20 0 GIADRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000461887910 823739230 /nfs/dbraw/zinc/73/92/30/823739230.db2.gz GQZNNSQOLJJMSF-CALCHBBNSA-N 1 0 380.492 4.450 20 0 GIADRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000461887912 823739303 /nfs/dbraw/zinc/73/93/03/823739303.db2.gz GQZNNSQOLJJMSF-IRXDYDNUSA-N 1 0 380.492 4.450 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)c1ccc(Br)s1 ZINC000163700333 823739376 /nfs/dbraw/zinc/73/93/76/823739376.db2.gz BHMIBVOVAQQVHL-AWEZNQCLSA-N 1 0 395.366 4.194 20 0 GIADRO COCc1ccc(C[NH2+]C[C@@H](O)COc2ccc(-c3ccccc3)cc2)cc1 ZINC000574475928 823740326 /nfs/dbraw/zinc/74/03/26/823740326.db2.gz OMIQQAAZJLEESH-HSZRJFAPSA-N 1 0 377.484 4.030 20 0 GIADRO CC(C)c1c(NC(=O)N(CC[NH+](C)C)C(C)C)cnn1-c1ccc(Cl)cc1 ZINC000191702426 823741093 /nfs/dbraw/zinc/74/10/93/823741093.db2.gz YYSRWDITXMPSMO-UHFFFAOYSA-N 1 0 391.947 4.453 20 0 GIADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000163720035 823741355 /nfs/dbraw/zinc/74/13/55/823741355.db2.gz FALLPAQFCWNEML-CQSZACIVSA-N 1 0 392.425 4.448 20 0 GIADRO COC(=O)c1cccc(C[NH2+][C@@](C)(c2ccc(Br)cc2)C(C)C)n1 ZINC000574479097 823741348 /nfs/dbraw/zinc/74/13/48/823741348.db2.gz DHKWGKBGWRGKGH-LJQANCHMSA-N 1 0 391.309 4.292 20 0 GIADRO C[C@H](C(=O)NC[C@@H](c1ccsc1)[NH+](C)C)c1cccc(Br)c1 ZINC000461895904 823742630 /nfs/dbraw/zinc/74/26/30/823742630.db2.gz CXSJCQDGPQCOHZ-LRDDRELGSA-N 1 0 381.339 4.033 20 0 GIADRO C[C@H](Cn1ncc2ccccc21)c1nc(-c2cccc(C[NH+]3CCCC3)c2)no1 ZINC000574483995 823743440 /nfs/dbraw/zinc/74/34/40/823743440.db2.gz DQCXKZCQYLCMDN-QGZVFWFLSA-N 1 0 387.487 4.486 20 0 GIADRO CCC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(OC)c1 ZINC000163742025 823743734 /nfs/dbraw/zinc/74/37/34/823743734.db2.gz NCUDMWPZLBLBFX-LPHOPBHVSA-N 1 0 375.534 4.161 20 0 GIADRO CC(C)(C)c1ncc(C[NH2+][C@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)cn1 ZINC000574486442 823744663 /nfs/dbraw/zinc/74/46/63/823744663.db2.gz FXCLAVMBGRKXQU-FQEVSTJZSA-N 1 0 393.453 4.284 20 0 GIADRO Cc1cccc2c(CCC(=O)NCc3ccc(OCCC[NH+](C)C)cc3)c[nH]c21 ZINC000163758709 823746133 /nfs/dbraw/zinc/74/61/33/823746133.db2.gz KOXIBGLYTGOXGQ-UHFFFAOYSA-N 1 0 393.531 4.056 20 0 GIADRO Cc1ccc(CCC(=O)N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)s1 ZINC000574490724 823746383 /nfs/dbraw/zinc/74/63/83/823746383.db2.gz JMQSYWSJLONVHU-QGZVFWFLSA-N 1 0 396.478 4.399 20 0 GIADRO CC(C)c1ccc(C[C@@H](C)NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000125928289 823746520 /nfs/dbraw/zinc/74/65/20/823746520.db2.gz XJEYKNLKBTZAFD-LJQANCHMSA-N 1 0 394.563 4.100 20 0 GIADRO O=C(C[N@@H+]1CCCC[C@H]1c1ccccc1)NCC1(c2ccccc2)CCOCC1 ZINC000574494091 823747787 /nfs/dbraw/zinc/74/77/87/823747787.db2.gz VFNYAWHPFJTECU-QHCPKHFHSA-N 1 0 392.543 4.078 20 0 GIADRO COCCOCc1ccc(C(=O)Nc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)cc1 ZINC000461909034 823749807 /nfs/dbraw/zinc/74/98/07/823749807.db2.gz HWTKXIFUMPRFNT-IBGZPJMESA-N 1 0 396.531 4.476 20 0 GIADRO Cc1ccc([C@@H]2C[C@H](C)[N@@H+](Cc3nc4c(cnn4-c4ccccc4)c(=O)[nH]3)C2)cc1 ZINC000574501606 823749930 /nfs/dbraw/zinc/74/99/30/823749930.db2.gz YZFZFWMZLPIMJQ-PKOBYXMFSA-N 1 0 399.498 4.208 20 0 GIADRO O=C(Nc1cccc(Cl)c1Br)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000191729507 823749967 /nfs/dbraw/zinc/74/99/67/823749967.db2.gz GGDBMYNOXQPCMF-GFCCVEGCSA-N 1 0 386.721 4.195 20 0 GIADRO Cc1ccc([C@@H]2C[C@@H](C)[N@@H+](Cc3nc4c(cnn4-c4ccccc4)c(=O)[nH]3)C2)cc1 ZINC000574501601 823750058 /nfs/dbraw/zinc/75/00/58/823750058.db2.gz YZFZFWMZLPIMJQ-IEBWSBKVSA-N 1 0 399.498 4.208 20 0 GIADRO C[C@H](CNC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)CC(F)(F)F ZINC000413319454 823751572 /nfs/dbraw/zinc/75/15/72/823751572.db2.gz DDKLKHDJXQLOMN-GUTXKFCHSA-N 1 0 377.476 4.019 20 0 GIADRO CCN(Cc1occc1C)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000413323195 823752442 /nfs/dbraw/zinc/75/24/42/823752442.db2.gz HRNLNQDFEDFYOQ-VQIMIIECSA-N 1 0 375.538 4.264 20 0 GIADRO C[C@H](CC(=O)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000574516744 823754290 /nfs/dbraw/zinc/75/42/90/823754290.db2.gz SOMBIDJFLOKHTP-WXSAJPJJSA-N 1 0 382.470 4.484 20 0 GIADRO COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000191744845 823754716 /nfs/dbraw/zinc/75/47/16/823754716.db2.gz ZBYOQRXCTRZCAV-DOTOQJQBSA-N 1 0 397.947 4.092 20 0 GIADRO C[C@H]([NH2+]C[C@@H](OCC1CC1)c1ccc(Cl)cc1)c1ccc(-n2cnnn2)cc1 ZINC000574527473 823755775 /nfs/dbraw/zinc/75/57/75/823755775.db2.gz IARXWWFNDGHYMG-YCRPNKLZSA-N 1 0 397.910 4.134 20 0 GIADRO CCOc1cc(C[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)ccc1OC(F)F ZINC000163880827 823755967 /nfs/dbraw/zinc/75/59/67/823755967.db2.gz ONHCWVHKHJWDIX-NRRJATNASA-N 1 0 383.460 4.275 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)c1 ZINC000163878790 823756269 /nfs/dbraw/zinc/75/62/69/823756269.db2.gz BOWOTEDUORBXRG-NIKGAXFTSA-N 1 0 375.513 4.132 20 0 GIADRO C[C@@H](CC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)c1ccc(F)c(Br)c1 ZINC000461929461 823761042 /nfs/dbraw/zinc/76/10/42/823761042.db2.gz UDJZDPRUCVVVCT-HOCLYGCPSA-N 1 0 397.332 4.169 20 0 GIADRO Fc1ccccc1-c1nc2c(s1)[C@@H]([NH2+]CCCNc1ncccn1)CCC2 ZINC000163935061 823762789 /nfs/dbraw/zinc/76/27/89/823762789.db2.gz YXAAOOAGEXUPHT-INIZCTEOSA-N 1 0 383.496 4.208 20 0 GIADRO Cc1cc(CN2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)nc(-c2ccc(Cl)cc2)n1 ZINC000574552672 823763452 /nfs/dbraw/zinc/76/34/52/823763452.db2.gz BSNZKKKOTCQFFR-PZJWPPBQSA-N 1 0 396.897 4.171 20 0 GIADRO COc1c(C)cnc(CN2CCC([N@H+](C)C/C=C\c3ccccc3)CC2)c1C ZINC000574558538 823765595 /nfs/dbraw/zinc/76/55/95/823765595.db2.gz LBLLDVAJBRXTQN-FLIBITNWSA-N 1 0 379.548 4.317 20 0 GIADRO C[C@H](C(=O)Nc1ccc(OCC[NH+](C)C)cc1)c1cccc(Br)c1 ZINC000461938960 823765600 /nfs/dbraw/zinc/76/56/00/823765600.db2.gz UZNVNUQHZTYVQX-AWEZNQCLSA-N 1 0 391.309 4.132 20 0 GIADRO COc1ccc(C[C@](C)(O)C[NH2+]Cc2ccc(Cl)c(Cl)c2)cc1OC ZINC000574560430 823766922 /nfs/dbraw/zinc/76/69/22/823766922.db2.gz BIKRZZXOJGZXPK-IBGZPJMESA-N 1 0 384.303 4.094 20 0 GIADRO CCC1(CNC(=O)N[C@@H](C)c2nccs2)CC[NH+](Cc2ccccc2)CC1 ZINC000413395771 823767747 /nfs/dbraw/zinc/76/77/47/823767747.db2.gz CKIYFXVZHBFSMV-KRWDZBQOSA-N 1 0 386.565 4.196 20 0 GIADRO [NH3+]C1(c2noc([C@@H]3C[C@@]34CCc3cc(Br)ccc34)n2)CCCCC1 ZINC000574564560 823768248 /nfs/dbraw/zinc/76/82/48/823768248.db2.gz ZZQSKBINVBLNJV-MAUKXSAKSA-N 1 0 388.309 4.322 20 0 GIADRO COC1CC[NH+](C2(CNC(=O)c3cc4cc(Cl)sc4[nH]3)CCCC2)CC1 ZINC000574565899 823768325 /nfs/dbraw/zinc/76/83/25/823768325.db2.gz GFGDFICUTLURTM-UHFFFAOYSA-N 1 0 395.956 4.036 20 0 GIADRO C[C@H]([NH2+]C1CCN(Cc2ccccn2)CC1)c1ccc(Br)cc1F ZINC000126025452 823768935 /nfs/dbraw/zinc/76/89/35/823768935.db2.gz OUXHTFGWGFFZJB-AWEZNQCLSA-N 1 0 392.316 4.298 20 0 GIADRO C[C@H](CNC(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000413399559 823768938 /nfs/dbraw/zinc/76/89/38/823768938.db2.gz HKWCWENGNIRVLG-BQFCYCMXSA-N 1 0 385.474 4.175 20 0 GIADRO Cc1cc(C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)sc1-c1ccc(F)cc1 ZINC000574568804 823769372 /nfs/dbraw/zinc/76/93/72/823769372.db2.gz BEMRPOWNIKOEBD-ZDUSSCGKSA-N 1 0 387.505 4.387 20 0 GIADRO Cc1c([C@@H](C)[NH2+][C@H](C)c2ccc(NC(N)=O)cc2)cnn1-c1ccc(F)cc1 ZINC000164040068 823772809 /nfs/dbraw/zinc/77/28/09/823772809.db2.gz YWRJSCIUUHJFMC-ZIAGYGMSSA-N 1 0 381.455 4.222 20 0 GIADRO COCCOc1cccc(C[NH2+][C@H](C)c2ccc(Br)cc2F)c1 ZINC000126042281 823773216 /nfs/dbraw/zinc/77/32/16/823773216.db2.gz NYEDHCDBPJZQNF-CYBMUJFWSA-N 1 0 382.273 4.464 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@@H](C)c2cnc(C)nc2C)ccc1OCc1ccncc1 ZINC000164048196 823773642 /nfs/dbraw/zinc/77/36/42/823773642.db2.gz FLZYXLJCWBZAFH-HOTGVXAUSA-N 1 0 392.503 4.488 20 0 GIADRO CC[NH+](CC)CCSCC(=O)Nc1cccc(-c2nc3ccccc3n2C)c1 ZINC000461966404 823775162 /nfs/dbraw/zinc/77/51/62/823775162.db2.gz BVZOLRROSHHOHM-UHFFFAOYSA-N 1 0 396.560 4.254 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)N(C)Cc2c(F)cccc2Cl)c1 ZINC000064229871 823775593 /nfs/dbraw/zinc/77/55/93/823775593.db2.gz RPGFJJGQSLWJCE-UHFFFAOYSA-N 1 0 377.891 4.272 20 0 GIADRO CCN(Cc1occc1C)C(=O)N[C@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000413429060 823776248 /nfs/dbraw/zinc/77/62/48/823776248.db2.gz AUEZXCPGYRCVLI-RBBKRZOGSA-N 1 0 397.519 4.106 20 0 GIADRO COCCOCc1ccc(C[NH2+]C[C@H]2CCCO[C@H]2c2ccc(C)cc2)cc1 ZINC000574600195 823776495 /nfs/dbraw/zinc/77/64/95/823776495.db2.gz JBXLJAIFAICTLJ-RPWUZVMVSA-N 1 0 383.532 4.416 20 0 GIADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)[C@H]2CC(C)(C)Oc3ccccc32)CC1 ZINC000413431502 823776861 /nfs/dbraw/zinc/77/68/61/823776861.db2.gz ATHJHBNFRFQEBN-FQEVSTJZSA-N 1 0 382.504 4.047 20 0 GIADRO CC[NH+](CC)CCSCC(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1 ZINC000461971106 823777772 /nfs/dbraw/zinc/77/77/72/823777772.db2.gz LCJLZQBLQXSXQS-UHFFFAOYSA-N 1 0 381.542 4.271 20 0 GIADRO COc1ccc(C[N@@H+]2CCC[C@H](c3nc(C(F)(F)F)cn3C)C2)cc1Cl ZINC000574606119 823778643 /nfs/dbraw/zinc/77/86/43/823778643.db2.gz FGYUGIGKTUWAOT-ZDUSSCGKSA-N 1 0 387.833 4.481 20 0 GIADRO C[C@@H]([NH2+]C1(CNC(=O)c2cn(C)nc2C2CCC2)CCCC1)c1ccccc1 ZINC000413440291 823778821 /nfs/dbraw/zinc/77/88/21/823778821.db2.gz BQSVIMYCSWAKMU-QGZVFWFLSA-N 1 0 380.536 4.081 20 0 GIADRO CCOCc1ccccc1C[NH2+][C@H](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000126065376 823778783 /nfs/dbraw/zinc/77/87/83/823778783.db2.gz XNVIRJTWXNRBCF-OAHLLOKOSA-N 1 0 390.911 4.392 20 0 GIADRO C[C@@H](NC(=O)NCC1CC[NH+](Cc2cccs2)CC1)c1ccc(F)cc1F ZINC000064251494 823780414 /nfs/dbraw/zinc/78/04/14/823780414.db2.gz NVNNNDQAPYYGPZ-CQSZACIVSA-N 1 0 393.503 4.299 20 0 GIADRO COc1cc(Cl)c(F)c(C(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000413456451 823781100 /nfs/dbraw/zinc/78/11/00/823781100.db2.gz KQUKAKKJYRTJIH-UHFFFAOYSA-N 1 0 390.886 4.224 20 0 GIADRO CC[NH+](CC)CCSCC(=O)N(Cc1cccc(Br)c1)C1CC1 ZINC000461985967 823783405 /nfs/dbraw/zinc/78/34/05/823783405.db2.gz ORRSVFJKHFKDNW-UHFFFAOYSA-N 1 0 399.398 4.015 20 0 GIADRO CCn1nccc1CCN1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000574620491 823783847 /nfs/dbraw/zinc/78/38/47/823783847.db2.gz PJQFHGUNTDLHII-UHFFFAOYSA-N 1 0 394.485 4.061 20 0 GIADRO CCCN(CC[NH+](CC)CC)C(=O)NC[C@@H]1CCCO[C@@H]1c1ccc(C)cc1 ZINC000461996217 823787902 /nfs/dbraw/zinc/78/79/02/823787902.db2.gz ULCVJNWQZHGVAL-FCHUYYIVSA-N 1 0 389.584 4.226 20 0 GIADRO CC(C)[NH+](CCCNC(=O)N[C@H]1CCCc2cn(C3CCCC3)nc21)C(C)C ZINC000461996934 823788505 /nfs/dbraw/zinc/78/85/05/823788505.db2.gz KJRAMDPXLCONNP-FQEVSTJZSA-N 1 0 389.588 4.184 20 0 GIADRO CS(=O)(=O)c1cccc(Oc2ncccc2C[NH2+][C@@H]2CCc3ccccc32)c1 ZINC000164235710 823788556 /nfs/dbraw/zinc/78/85/56/823788556.db2.gz XPRKUJGZIJXBBC-OAQYLSRUSA-N 1 0 394.496 4.055 20 0 GIADRO CC(C)[NH+](CCCNC(=O)N[C@@H]1CCCc2cn(C3CCCC3)nc21)C(C)C ZINC000461996935 823788626 /nfs/dbraw/zinc/78/86/26/823788626.db2.gz KJRAMDPXLCONNP-HXUWFJFHSA-N 1 0 389.588 4.184 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)c2cc3cc(Br)ccc3o2)CC1 ZINC000064310185 823789057 /nfs/dbraw/zinc/78/90/57/823789057.db2.gz ZMXMUGDMTARWJZ-UHFFFAOYSA-N 1 0 379.298 4.142 20 0 GIADRO C[C@H](NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc2ccccc2n1 ZINC000191834060 823791023 /nfs/dbraw/zinc/79/10/23/823791023.db2.gz NKNNWDMYZDAUIT-UGKGYDQZSA-N 1 0 375.516 4.177 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(OCCOc2ccc(Cl)cc2)cc1)c1cnn(C)c1 ZINC000164328701 823796108 /nfs/dbraw/zinc/79/61/08/823796108.db2.gz CTONOEGRKAQWKH-MRXNPFEDSA-N 1 0 385.895 4.382 20 0 GIADRO C[C@H](CNC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000413556660 823796754 /nfs/dbraw/zinc/79/67/54/823796754.db2.gz SYSRYZMUMVLBNZ-FUHWJXTLSA-N 1 0 385.474 4.176 20 0 GIADRO CC[N@H+](C[C@H](O)COc1ccc(C(=O)OC)cc1)[C@@H](C)c1cc2ccccc2o1 ZINC000064348863 823797983 /nfs/dbraw/zinc/79/79/83/823797983.db2.gz CGFZHYFESWEKNC-LPHOPBHVSA-N 1 0 397.471 4.042 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCc2nc(C3CC3)cs2)CC1 ZINC000126143204 823798272 /nfs/dbraw/zinc/79/82/72/823798272.db2.gz QXFPRGBDIKBTKB-HNNXBMFYSA-N 1 0 384.549 4.045 20 0 GIADRO Cc1cccn2c(CNc3cccc(NC(=O)C[NH+]4CCCCCC4)c3)cnc12 ZINC000126141538 823798399 /nfs/dbraw/zinc/79/83/99/823798399.db2.gz LPSITGIEAAFVGE-UHFFFAOYSA-N 1 0 391.519 4.069 20 0 GIADRO C[C@H](Oc1ccc(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1)c1ccccc1 ZINC000191867071 823799574 /nfs/dbraw/zinc/79/95/74/823799574.db2.gz CAEUDCPCNDVOEV-VQTJNVASSA-N 1 0 378.516 4.385 20 0 GIADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C[C@@H](C)c2ccc(F)c(Br)c2)C1 ZINC000462025232 823799888 /nfs/dbraw/zinc/79/98/88/823799888.db2.gz HJAVJXVCADQUIA-HUUCEWRRSA-N 1 0 399.348 4.318 20 0 GIADRO CC[NH+]1CCN(c2cccc(NCc3ccc(OC(F)F)c(OC)c3)c2)CC1 ZINC000191884425 823803465 /nfs/dbraw/zinc/80/34/65/823803465.db2.gz VTZXQMNAEJCOPK-UHFFFAOYSA-N 1 0 391.462 4.051 20 0 GIADRO C[NH+]1CCN(Cc2cccc(C(=O)Nc3cccc(OC4CCCC4)c3)c2)CC1 ZINC000462031867 823803440 /nfs/dbraw/zinc/80/34/40/823803440.db2.gz LZURAZPATBPQKT-UHFFFAOYSA-N 1 0 393.531 4.008 20 0 GIADRO C[C@@H]1c2cc3c(cc2C2(CCCC2)C[N@H+]1C[C@@H]1CC2(CCC2)C(=O)O1)OCCO3 ZINC000191889023 823804629 /nfs/dbraw/zinc/80/46/29/823804629.db2.gz TVUDYOOBIQTPSE-SJORKVTESA-N 1 0 397.515 4.132 20 0 GIADRO CC[NH+](CC)CCOc1ccc(NC(=O)N2CCC(c3ccncc3)CC2)cc1 ZINC000191894339 823806208 /nfs/dbraw/zinc/80/62/08/823806208.db2.gz PWULYJIABIYKPX-UHFFFAOYSA-N 1 0 396.535 4.214 20 0 GIADRO CC[NH+](CC)CCSCC(=O)Nc1ccccc1N1CCc2ccccc21 ZINC000462039193 823807031 /nfs/dbraw/zinc/80/70/31/823807031.db2.gz NYKZWSGVUIEAML-UHFFFAOYSA-N 1 0 383.561 4.394 20 0 GIADRO C[NH+](C)C[C@@H](NC(=O)c1[nH]c2ccc(F)cc2c1Cl)c1ccc(F)cc1 ZINC000574717578 823807919 /nfs/dbraw/zinc/80/79/19/823807919.db2.gz MVXAOEAIDCREGQ-MRXNPFEDSA-N 1 0 377.822 4.132 20 0 GIADRO Cc1nc(C(F)(F)F)sc1C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000462040418 823808282 /nfs/dbraw/zinc/80/82/82/823808282.db2.gz NBJZMTOQRNVRNL-CQSZACIVSA-N 1 0 389.487 4.054 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000164546275 823808461 /nfs/dbraw/zinc/80/84/61/823808461.db2.gz ABMCSMDETXJAQW-XJKSGUPXSA-N 1 0 388.537 4.174 20 0 GIADRO O=C(N[C@H](c1c(Cl)cccc1Cl)C1CC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000462044481 823809844 /nfs/dbraw/zinc/80/98/44/823809844.db2.gz APAFPTKDZGLSRJ-KSSFIOAISA-N 1 0 380.319 4.100 20 0 GIADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)N[C@@H]2CCc3sc(Cl)cc32)CC1 ZINC000462046026 823810521 /nfs/dbraw/zinc/81/05/21/823810521.db2.gz HNOIDKLFHKCNMC-MRXNPFEDSA-N 1 0 393.940 4.288 20 0 GIADRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1cc(-c2ccccc2C(F)(F)F)on1 ZINC000462049110 823811496 /nfs/dbraw/zinc/81/14/96/823811496.db2.gz NCEILVPTLQLLLR-CYBMUJFWSA-N 1 0 393.409 4.107 20 0 GIADRO C[C@H](Oc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1)c1ccccc1 ZINC000191919506 823811474 /nfs/dbraw/zinc/81/14/74/823811474.db2.gz YOAQKFZWXKJUHJ-ZEYPLWLESA-N 1 0 378.516 4.383 20 0 GIADRO C[C@@H](C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)c1cccc(Br)c1 ZINC000462050588 823812474 /nfs/dbraw/zinc/81/24/74/823812474.db2.gz RHJDHZDEVQDGAL-QAPCUYQASA-N 1 0 379.342 4.030 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCc1ccc(F)cc1 ZINC000064412278 823813798 /nfs/dbraw/zinc/81/37/98/823813798.db2.gz BGKNHGWRHGJJGG-UHFFFAOYSA-N 1 0 397.416 4.118 20 0 GIADRO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@H](C)C1CCOCC1 ZINC000126215212 823813776 /nfs/dbraw/zinc/81/37/76/823813776.db2.gz BRJDMXZDPWFIKV-VXGBXAGGSA-N 1 0 392.849 4.481 20 0 GIADRO Cc1nccn1CCCC[NH2+]C1(c2cccc(Br)c2)CCOCC1 ZINC000126234780 823817501 /nfs/dbraw/zinc/81/75/01/823817501.db2.gz GKRZVVNEJZBFFL-UHFFFAOYSA-N 1 0 392.341 4.030 20 0 GIADRO Cc1ccc([C@@H]2OCCC[C@H]2[NH2+]C[C@@H](O)COCc2ccccc2Cl)cc1 ZINC000574750605 823818298 /nfs/dbraw/zinc/81/82/98/823818298.db2.gz ZOHSQCZPUVIUJP-FCEUIQTBSA-N 1 0 389.923 4.036 20 0 GIADRO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@H](CC(N)=O)c1cccc(Cl)c1)CC3 ZINC000462068089 823818596 /nfs/dbraw/zinc/81/85/96/823818596.db2.gz QFADCTSRLXRTJA-HRAATJIYSA-N 1 0 381.907 4.193 20 0 GIADRO NC(=O)c1cc(C[NH2+][C@@H](CCCc2ccccc2)Cc2ccc(Cl)cc2)on1 ZINC000462069147 823818751 /nfs/dbraw/zinc/81/87/51/823818751.db2.gz FJJUXQWBNWDJHQ-IBGZPJMESA-N 1 0 397.906 4.151 20 0 GIADRO COc1cc([C@@H](C)[NH2+]CC(C)(C)c2ccc(C)cc2)ccc1S(C)(=O)=O ZINC000164852207 823822774 /nfs/dbraw/zinc/82/27/74/823822774.db2.gz DRMXBJWYMYLCLG-MRXNPFEDSA-N 1 0 375.534 4.036 20 0 GIADRO Cc1cc(C)c(-c2csc(NC(=O)C[N@H+](C[C@H]3CCOC3)C3CC3)n2)c(C)c1 ZINC000164866510 823823560 /nfs/dbraw/zinc/82/35/60/823823560.db2.gz QWDQNEJEYFVKNS-QGZVFWFLSA-N 1 0 399.560 4.175 20 0 GIADRO O=C(NC[C@@H]1CCC[NH2+]C1)Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1 ZINC000574782719 823825315 /nfs/dbraw/zinc/82/53/15/823825315.db2.gz QNKLWKSBWZGDCM-CYBMUJFWSA-N 1 0 394.397 4.014 20 0 GIADRO CC(C)c1cc(NCc2ccc(Oc3cccnc3)c(F)c2)nc(N(C)C)[nH+]1 ZINC000462091506 823825431 /nfs/dbraw/zinc/82/54/31/823825431.db2.gz ZMISFDPCUCMMTF-UHFFFAOYSA-N 1 0 381.455 4.026 20 0 GIADRO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)Nc1ccccc1OC(F)F ZINC000574785099 823825959 /nfs/dbraw/zinc/82/59/59/823825959.db2.gz WEROBLUJGYXQSQ-MRXNPFEDSA-N 1 0 375.419 4.074 20 0 GIADRO O=C(c1ccc(Nc2cc[nH+]cc2)cc1)N1CCc2ccc(Br)cc21 ZINC000462095961 823826402 /nfs/dbraw/zinc/82/64/02/823826402.db2.gz YCWQGJXEADOJRT-UHFFFAOYSA-N 1 0 394.272 4.213 20 0 GIADRO O=C(N[C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000413732602 823827566 /nfs/dbraw/zinc/82/75/66/823827566.db2.gz ZWYJGKBKAVOKGB-ILZDJORESA-N 1 0 375.944 4.103 20 0 GIADRO Cc1ccc(C[N@H+](CCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)C2CC2)o1 ZINC000164991921 823829289 /nfs/dbraw/zinc/82/92/89/823829289.db2.gz XBSQTMSILVAFKQ-UHFFFAOYSA-N 1 0 392.503 4.384 20 0 GIADRO CC[C@@H]([NH2+]Cc1cccc(C(=O)NCc2ccco2)c1)c1ccc2c(c1)CCO2 ZINC000165005262 823829680 /nfs/dbraw/zinc/82/96/80/823829680.db2.gz DDNABGKKEHXJGB-JOCHJYFZSA-N 1 0 390.483 4.385 20 0 GIADRO CCC[NH+]1CCC(N[C@H](c2cccc(OC)c2)c2cc(F)ccc2OC)CC1 ZINC000462108845 823830281 /nfs/dbraw/zinc/83/02/81/823830281.db2.gz BMMYSBHQQPQUHW-HSZRJFAPSA-N 1 0 386.511 4.396 20 0 GIADRO Cc1nc2c(s1)[C@H]([NH2+]Cc1cccc(C(=O)NCc3ccco3)c1)CCC2 ZINC000165024923 823830251 /nfs/dbraw/zinc/83/02/51/823830251.db2.gz FAAUISHRKPXFMJ-GOSISDBHSA-N 1 0 381.501 4.142 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)cc1 ZINC000165036874 823830938 /nfs/dbraw/zinc/83/09/38/823830938.db2.gz ADNLGVAIOUGUGH-KRWDZBQOSA-N 1 0 378.472 4.459 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(Oc3ccc(C(C)=O)cc3)cc2)[C@H](C)C1 ZINC000126288816 823831379 /nfs/dbraw/zinc/83/13/79/823831379.db2.gz XQSMGOVOVNJPGG-UZUQRXQVSA-N 1 0 394.515 4.484 20 0 GIADRO COc1ccc(C[NH+](Cc2ccc(OC)cc2)C[C@H]2CC3(CCC3)C(=O)O2)cc1 ZINC000191990929 823831729 /nfs/dbraw/zinc/83/17/29/823831729.db2.gz VJSQIHWREUSXDH-JOCHJYFZSA-N 1 0 395.499 4.192 20 0 GIADRO C[C@H](CNC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)CC(F)(F)F ZINC000413748139 823832252 /nfs/dbraw/zinc/83/22/52/823832252.db2.gz MTBOCBAQZNPEQH-FXAWDEMLSA-N 1 0 397.485 4.273 20 0 GIADRO CC(=O)Nc1ccc(Cl)c(C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)c1 ZINC000126294674 823832417 /nfs/dbraw/zinc/83/24/17/823832417.db2.gz WKRIKLYMDRTOIH-OAHLLOKOSA-N 1 0 399.922 4.254 20 0 GIADRO CCOc1ccc(Oc2ccc(NC(=O)N3CC[C@@H](C[NH+](C)C)C3)cc2)cc1 ZINC000126297168 823833197 /nfs/dbraw/zinc/83/31/97/823833197.db2.gz UXQNJZSABZKPFT-KRWDZBQOSA-N 1 0 383.492 4.293 20 0 GIADRO COc1cc(C)ccc1Oc1ccc(NC(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)cn1 ZINC000165086615 823833219 /nfs/dbraw/zinc/83/32/19/823833219.db2.gz DNUHDDRIDIZWPT-IAGOWNOFSA-N 1 0 383.492 4.155 20 0 GIADRO COc1cccc(-c2c[nH]cc2C(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000574817052 823833776 /nfs/dbraw/zinc/83/37/76/823833776.db2.gz PSIGFSGNLREHEQ-OPAMFIHVSA-N 1 0 377.488 4.112 20 0 GIADRO C[C@@H](NC(=O)NOCc1ccc(C(F)(F)F)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000165111178 823834849 /nfs/dbraw/zinc/83/48/49/823834849.db2.gz PHXGDBHYVPRCAJ-GDBMZVCRSA-N 1 0 399.457 4.089 20 0 GIADRO C[NH+](C)CC1CCN(c2ccccc2NC(=O)[C@H]2C[C@@]2(F)c2ccccc2)CC1 ZINC000413758135 823835014 /nfs/dbraw/zinc/83/50/14/823835014.db2.gz NPKXSFFBXKEXGR-HYBUGGRVSA-N 1 0 395.522 4.288 20 0 GIADRO Cc1cc(C)c(OCC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c(C)c1 ZINC000064522049 823835184 /nfs/dbraw/zinc/83/51/84/823835184.db2.gz KGPQCYUJSQNVCZ-IBGZPJMESA-N 1 0 386.561 4.081 20 0 GIADRO Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000192018625 823835440 /nfs/dbraw/zinc/83/54/40/823835440.db2.gz CISVZEVDYDTPIZ-CHWSQXEVSA-N 1 0 393.409 4.188 20 0 GIADRO C[C@@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)[C@@H](C)c1nc2ccccc2s1 ZINC000165129006 823835638 /nfs/dbraw/zinc/83/56/38/823835638.db2.gz OWPCIYAUQOOYKR-HZPDHXFCSA-N 1 0 381.545 4.322 20 0 GIADRO O=C(C[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)N[C@@H](c1ccccc1)C1CC1 ZINC000192021730 823836282 /nfs/dbraw/zinc/83/62/82/823836282.db2.gz NYJVMURWLHLXAL-BAGYTPMASA-N 1 0 384.907 4.027 20 0 GIADRO C[C@H](CNC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000192031071 823837845 /nfs/dbraw/zinc/83/78/45/823837845.db2.gz IGXVCUQGPNPOES-VAKZPMALSA-N 1 0 386.923 4.068 20 0 GIADRO COc1ccc(NC(=O)C[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)cc2)cc1Cl ZINC000192031477 823838544 /nfs/dbraw/zinc/83/85/44/823838544.db2.gz BNTVTQBOKRJGRB-LPHOPBHVSA-N 1 0 395.286 4.060 20 0 GIADRO CC(C)OCc1cccc(NC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000064534547 823838759 /nfs/dbraw/zinc/83/87/59/823838759.db2.gz SBBZSQCMMQKKQZ-KDURUIRLSA-N 1 0 375.557 4.491 20 0 GIADRO C[C@@H](C(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1cccc(Br)c1 ZINC000462132400 823839730 /nfs/dbraw/zinc/83/97/30/823839730.db2.gz VGKAMPNVXXOPEI-OAHLLOKOSA-N 1 0 379.342 4.030 20 0 GIADRO COc1cccc(C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)c1OC1CCCC1 ZINC000165220169 823840438 /nfs/dbraw/zinc/84/04/38/823840438.db2.gz URZINAGPFFHKTP-QGZVFWFLSA-N 1 0 392.503 4.448 20 0 GIADRO C[C@H](C(=O)NC1(c2cccc(C(F)(F)F)c2)CCOCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000413788798 823841661 /nfs/dbraw/zinc/84/16/61/823841661.db2.gz UXMWZSTYJHOHQF-OWCLPIDISA-N 1 0 398.469 4.089 20 0 GIADRO Cc1c(Cl)cccc1NC(=O)C[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000192045140 823842979 /nfs/dbraw/zinc/84/29/79/823842979.db2.gz VMDDRYWVVGWQLT-IEBWSBKVSA-N 1 0 379.287 4.360 20 0 GIADRO Cc1csc(C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)c1Br ZINC000192045711 823843099 /nfs/dbraw/zinc/84/30/99/823843099.db2.gz FPMNHHXNSPLVBI-ZDUSSCGKSA-N 1 0 381.339 4.069 20 0 GIADRO COc1cc(C)c([C@H](C)[NH2+]C2CCN(Cc3ccc(F)cc3)CC2)cc1OC ZINC000165357162 823845073 /nfs/dbraw/zinc/84/50/73/823845073.db2.gz CEKISIKCYKJIEX-KRWDZBQOSA-N 1 0 386.511 4.467 20 0 GIADRO Cc1noc(-c2ccccc2)c1NC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000126346386 823845376 /nfs/dbraw/zinc/84/53/76/823845376.db2.gz MXJMPEDLOKAMTJ-YJBOKZPZSA-N 1 0 382.508 4.425 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)NCc2ccccc2C[NH+]2CCCCC2)c1C ZINC000126346773 823845412 /nfs/dbraw/zinc/84/54/12/823845412.db2.gz KBFMXICJRZLBHL-UHFFFAOYSA-N 1 0 394.519 4.261 20 0 GIADRO CCOc1ccc(NC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)c(C(F)(F)F)c1 ZINC000064563945 823847127 /nfs/dbraw/zinc/84/71/27/823847127.db2.gz CENOUAYLEZTINN-ZIAGYGMSSA-N 1 0 387.446 4.489 20 0 GIADRO CCOc1ccc(NC(=O)N2CCC([NH+]3CCCC3)CC2)c(C(F)(F)F)c1 ZINC000064563863 823847382 /nfs/dbraw/zinc/84/73/82/823847382.db2.gz ZPEDORHNIVHRPX-UHFFFAOYSA-N 1 0 385.430 4.196 20 0 GIADRO C[C@H]([NH2+]C1CCN(Cc2ccc(F)cc2)CC1)c1ccc2c(c1)OCCCO2 ZINC000165395406 823847661 /nfs/dbraw/zinc/84/76/61/823847661.db2.gz AMPITLSCSOSAKA-KRWDZBQOSA-N 1 0 384.495 4.302 20 0 GIADRO Cc1c2cc(C)ccc2[nH]c1C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000165412606 823848097 /nfs/dbraw/zinc/84/80/97/823848097.db2.gz GACUIOLQKNQHTD-HXUWFJFHSA-N 1 0 375.516 4.379 20 0 GIADRO CCCN(CCC[NH+](C)C)C(=O)N[C@@H](C)c1ccc(Br)cc1F ZINC000462157832 823848100 /nfs/dbraw/zinc/84/81/00/823848100.db2.gz QEPNNDFVJIYRHI-ZDUSSCGKSA-N 1 0 388.325 4.023 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1Br)c1ccc(NC(N)=O)cc1 ZINC000165417126 823848277 /nfs/dbraw/zinc/84/82/77/823848277.db2.gz NJFIXVJVDFVVAS-GHMZBOCLSA-N 1 0 380.261 4.491 20 0 GIADRO Cc1ccc([C@@H](NCc2nnc(C3CC[NH2+]CC3)[nH]2)c2ccccc2Cl)cc1 ZINC000574869686 823848378 /nfs/dbraw/zinc/84/83/78/823848378.db2.gz LHFUPLUGTBPYJX-OAQYLSRUSA-N 1 0 395.938 4.113 20 0 GIADRO CCOc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000192066634 823849155 /nfs/dbraw/zinc/84/91/55/823849155.db2.gz XFUIFAJPPKLCOI-PNHOKKKMSA-N 1 0 388.895 4.186 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+][C@@H](C)c1ccc(NC(N)=O)cc1 ZINC000165449338 823849168 /nfs/dbraw/zinc/84/91/68/823849168.db2.gz KNJUQOMWAHGOSN-QWHCGFSZSA-N 1 0 381.505 4.416 20 0 GIADRO CCCN(Cc1csc(N(C(C)=O)c2cccc(Cl)c2)n1)[C@H]1CC[NH2+]C1 ZINC000574876815 823849343 /nfs/dbraw/zinc/84/93/43/823849343.db2.gz HNRTXFKOXIABEO-SFHVURJKSA-N 1 0 392.956 4.055 20 0 GIADRO c1cn(Cc2cccc(C[NH2+][C@@H]3CCN(Cc4ccccc4)C4(CC4)C3)c2)cn1 ZINC000574877793 823849409 /nfs/dbraw/zinc/84/94/09/823849409.db2.gz UQVDMDKAEFLLAM-XMMPIXPASA-N 1 0 386.543 4.218 20 0 GIADRO C[C@@H](O)[C@H]([NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1)c1ccccc1F ZINC000574881895 823850295 /nfs/dbraw/zinc/85/02/95/823850295.db2.gz RNPUEXQNRBEPPX-SZNDQCEHSA-N 1 0 394.893 4.294 20 0 GIADRO Cn1cncc1CNC(=O)NC1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC000462166011 823850923 /nfs/dbraw/zinc/85/09/23/823850923.db2.gz KTVDVTWIOWMCHR-UHFFFAOYSA-N 1 0 380.414 4.098 20 0 GIADRO C[C@H]([NH2+][C@H]1CCN(c2c(F)cccc2F)C1=O)c1cccc(N2CCCC2)c1 ZINC000126374241 823851349 /nfs/dbraw/zinc/85/13/49/823851349.db2.gz SPOOOVGCQPUCEU-YWZLYKJASA-N 1 0 385.458 4.021 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(Oc2cccnc2)cc1 ZINC000462168399 823851538 /nfs/dbraw/zinc/85/15/38/823851538.db2.gz XYVCSHPERQBLNK-WZONZLPQSA-N 1 0 387.483 4.124 20 0 GIADRO C[C@@H](Cc1ccccc1Cl)C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000126375911 823851727 /nfs/dbraw/zinc/85/17/27/823851727.db2.gz IXRQGGZQDVXDEQ-KRWDZBQOSA-N 1 0 385.939 4.289 20 0 GIADRO CN(C(=O)Nc1ccccc1Cl)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000165540540 823852889 /nfs/dbraw/zinc/85/28/89/823852889.db2.gz FQGAKOVTTWARLJ-UXHICEINSA-N 1 0 392.975 4.141 20 0 GIADRO Cc1nc2c(s1)[C@@H]([NH2+]Cc1ccc(OCCOc3ccccc3)nc1)CCC2 ZINC000165544220 823853095 /nfs/dbraw/zinc/85/30/95/823853095.db2.gz GYJOXQPELZQWJZ-IBGZPJMESA-N 1 0 395.528 4.472 20 0 GIADRO CCC[N@H+](Cc1nnnn1-c1c(C)cccc1C)[C@@H]1CCc2ccccc2C1 ZINC000064632677 823855658 /nfs/dbraw/zinc/85/56/58/823855658.db2.gz HQRBRFQMLFEVDK-OAQYLSRUSA-N 1 0 375.520 4.049 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Cc1c[nH]c2cc(Cl)ccc12 ZINC000462178219 823856145 /nfs/dbraw/zinc/85/61/45/823856145.db2.gz URRLKMQHBKOICK-YCRPNKLZSA-N 1 0 381.907 4.001 20 0 GIADRO C[C@@H]1c2ccsc2CCN1C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000064644007 823856294 /nfs/dbraw/zinc/85/62/94/823856294.db2.gz FBYZGYUJMGZASQ-CVEARBPZSA-N 1 0 389.590 4.351 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)Cc1c[nH]c2cc(Cl)ccc12 ZINC000126396355 823856531 /nfs/dbraw/zinc/85/65/31/823856531.db2.gz OVULVCOUVVLEND-UHFFFAOYSA-N 1 0 396.922 4.134 20 0 GIADRO Cc1csc(C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)c1Br ZINC000192089643 823856848 /nfs/dbraw/zinc/85/68/48/823856848.db2.gz KGKOFGXHXKBOCV-CYBMUJFWSA-N 1 0 381.339 4.069 20 0 GIADRO Cc1csc(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1Br ZINC000192090421 823856934 /nfs/dbraw/zinc/85/69/34/823856934.db2.gz MVHBGNCVKZILNE-QWHCGFSZSA-N 1 0 385.371 4.202 20 0 GIADRO CC[C@@H]([NH2+]CCCc1nnc(SC)n1CC(C)C)c1ccc2c(c1)CCO2 ZINC000165648274 823856960 /nfs/dbraw/zinc/85/69/60/823856960.db2.gz CPFBJYKPINYEPK-GOSISDBHSA-N 1 0 388.581 4.264 20 0 GIADRO CC[C@@H]([NH2+][C@@H](CC)c1ccc2c(c1)CCO2)c1ccccc1OCC(=O)N(C)C ZINC000165686667 823859015 /nfs/dbraw/zinc/85/90/15/823859015.db2.gz FMGIZTFWYJNNEN-LEWJYISDSA-N 1 0 396.531 4.281 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1)c1ccccc1OCC(=O)N(C)C ZINC000165691670 823859349 /nfs/dbraw/zinc/85/93/49/823859349.db2.gz YTWGKFOPONJQML-LIRRHRJNSA-N 1 0 376.447 4.234 20 0 GIADRO Cc1[nH+]c2c(Cl)cccc2c(N2CC[C@H]3[C@@H](CCC(=O)N3C3CC3)C2)c1C ZINC000574909889 823859468 /nfs/dbraw/zinc/85/94/68/823859468.db2.gz ZBZCTMWUDBDTNU-KXBFYZLASA-N 1 0 383.923 4.485 20 0 GIADRO CCc1onc(-c2ccccc2Cl)c1C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000574919274 823860101 /nfs/dbraw/zinc/86/01/01/823860101.db2.gz UDDIHJXYWNVQOF-CQSZACIVSA-N 1 0 389.927 4.360 20 0 GIADRO Cc1cccc(NC(=O)C[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c1C ZINC000192102877 823860728 /nfs/dbraw/zinc/86/07/28/823860728.db2.gz SARXCNNIRFJCOD-UYAOXDASSA-N 1 0 376.859 4.154 20 0 GIADRO CC[N@H+](CCC1CCN(C(=O)NCC(C)(C)c2cccnc2)CC1)CC(C)C ZINC000413892725 823860930 /nfs/dbraw/zinc/86/09/30/823860930.db2.gz YSDYXYOZFGNLEE-UHFFFAOYSA-N 1 0 388.600 4.149 20 0 GIADRO CC(=O)N(c1nc(CN2CCCC[C@H]2[C@@H](C)O)cs1)c1cccc(Cl)c1 ZINC000165720783 823860909 /nfs/dbraw/zinc/86/09/09/823860909.db2.gz OCWVZVRKFNLTME-ACJLOTCBSA-N 1 0 393.940 4.216 20 0 GIADRO C[C@@H]([NH2+]C1CCN(Cc2ccccc2F)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000165720774 823861078 /nfs/dbraw/zinc/86/10/78/823861078.db2.gz YERCNWYMVHZGDV-QGZVFWFLSA-N 1 0 397.494 4.098 20 0 GIADRO COCCOCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 ZINC000165730064 823861432 /nfs/dbraw/zinc/86/14/32/823861432.db2.gz YWNKQIADEBMTJI-UHFFFAOYSA-N 1 0 391.471 4.038 20 0 GIADRO Cc1cc(NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)ccc1-c1ccncc1 ZINC000574926637 823861764 /nfs/dbraw/zinc/86/17/64/823861764.db2.gz JERMVMIFRQXHTF-FQEVSTJZSA-N 1 0 381.545 4.213 20 0 GIADRO Cn1c2ccccc2c(Cl)c1C(=O)Nc1ccc(OCC[NH+](C)C)cc1F ZINC000413896218 823861937 /nfs/dbraw/zinc/86/19/37/823861937.db2.gz BPXDJXLIQMQFKQ-UHFFFAOYSA-N 1 0 389.858 4.164 20 0 GIADRO CCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cnn(-c3ccc(Cl)cc3Cl)c2C)C1 ZINC000126422363 823862899 /nfs/dbraw/zinc/86/28/99/823862899.db2.gz ABUZRBHUGHRACX-IUODEOHRSA-N 1 0 395.334 4.149 20 0 GIADRO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc(F)cc1Cl ZINC000574932436 823863011 /nfs/dbraw/zinc/86/30/11/823863011.db2.gz KCMPXCCDKBJDCA-RYGJVYDSSA-N 1 0 390.886 4.359 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)C[C@@H](c2ccccc2)C(F)(F)F)c(F)c1 ZINC000413901608 823863327 /nfs/dbraw/zinc/86/33/27/823863327.db2.gz MZVODEFPKRBNDR-INIZCTEOSA-N 1 0 398.400 4.441 20 0 GIADRO CC[C@H](CNC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000413905909 823863935 /nfs/dbraw/zinc/86/39/35/823863935.db2.gz JRDUYZYPKKAIAX-WMZOPIPTSA-N 1 0 385.474 4.129 20 0 GIADRO CCSc1ccc(CC(=O)Nc2ccc(OCC[NH+](C)C)cc2F)cc1 ZINC000413904938 823863977 /nfs/dbraw/zinc/86/39/77/823863977.db2.gz VMNIYQURQAXAJU-UHFFFAOYSA-N 1 0 376.497 4.059 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)c(F)c1 ZINC000413906830 823864186 /nfs/dbraw/zinc/86/41/86/823864186.db2.gz ZMTNMSTVBSLFIU-JKSUJKDBSA-N 1 0 376.859 4.162 20 0 GIADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@H](C)c2cccc(Br)c2)o1 ZINC000462197937 823865720 /nfs/dbraw/zinc/86/57/20/823865720.db2.gz WROKEHBDNHBEHK-OAHLLOKOSA-N 1 0 393.325 4.044 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@@H](C)c2ccc(C)cc2)ccc1S(=O)(=O)C(F)F ZINC000165910719 823865957 /nfs/dbraw/zinc/86/59/57/823865957.db2.gz PSWUFNSDFRFHRH-KBPBESRZSA-N 1 0 383.460 4.412 20 0 GIADRO C[NH+](C)CCOc1ccc(-c2noc(-c3ncoc3-c3ccc(F)cc3)n2)cc1 ZINC000574942462 823866423 /nfs/dbraw/zinc/86/64/23/823866423.db2.gz UYHQPNMQAVKPQQ-UHFFFAOYSA-N 1 0 394.406 4.138 20 0 GIADRO CC[C@@H](CNC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1)CC(F)(F)F ZINC000413921077 823866585 /nfs/dbraw/zinc/86/65/85/823866585.db2.gz VCSKEQBOUJRQHZ-IAGOWNOFSA-N 1 0 377.495 4.119 20 0 GIADRO CN1CC[C@H]([NH2+]Cc2cn3cc(Cl)ccc3n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000574945416 823867473 /nfs/dbraw/zinc/86/74/73/823867473.db2.gz HWPZAHXDHVQHTM-HKUYNNGSSA-N 1 0 393.293 4.315 20 0 GIADRO COc1ccc(C(=O)Nc2cccc(C[N@H+](C)Cc3ccc(O)cc3)c2)cc1 ZINC000574944303 823867510 /nfs/dbraw/zinc/86/75/10/823867510.db2.gz KLAZYGJFBIHFRR-UHFFFAOYSA-N 1 0 376.456 4.285 20 0 GIADRO COc1cccc(C[NH2+][C@H](C)c2ccc(I)cc2)c1OC ZINC000165973668 823867547 /nfs/dbraw/zinc/86/75/47/823867547.db2.gz BJDNXVLXGWHGJH-GFCCVEGCSA-N 1 0 397.256 4.159 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)NCc3ccc4sccc4c3)c2)CC1 ZINC000574945167 823867703 /nfs/dbraw/zinc/86/77/03/823867703.db2.gz VHKGNIKTBSPGFQ-UHFFFAOYSA-N 1 0 394.544 4.365 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)C(=O)N[C@@H](CC2CCCC2)c2ccccc2)c1 ZINC000126441813 823868186 /nfs/dbraw/zinc/86/81/86/823868186.db2.gz JVEPZRZKFWTZBS-QFIPXVFZSA-N 1 0 393.531 4.125 20 0 GIADRO Cc1nc(C(F)(F)F)sc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000462202107 823868283 /nfs/dbraw/zinc/86/82/83/823868283.db2.gz LISWLCHFRGMFJO-SWLSCSKDSA-N 1 0 397.466 4.111 20 0 GIADRO CCC(CC)C(=O)N1CCC([NH2+][C@@H](C)c2ccc(SC)c(OC)c2)CC1 ZINC000166082743 823869377 /nfs/dbraw/zinc/86/93/77/823869377.db2.gz QGIQWWNJLBSJSW-HNNXBMFYSA-N 1 0 378.582 4.495 20 0 GIADRO CCOc1c(Cl)cc(C[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)cc1OC ZINC000166138510 823870590 /nfs/dbraw/zinc/87/05/90/823870590.db2.gz CZYVHBONBKLFPT-YMXBGEKHSA-N 1 0 381.925 4.336 20 0 GIADRO COc1ccc(OC)c([C@H](C)[NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)c1 ZINC000166156729 823871045 /nfs/dbraw/zinc/87/10/45/823871045.db2.gz NPHXPDXGPYUORM-HNNXBMFYSA-N 1 0 390.474 4.297 20 0 GIADRO O=C(CC[NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)Nc1cccc(Cl)c1 ZINC000192131265 823871110 /nfs/dbraw/zinc/87/11/10/823871110.db2.gz QZFJZJNDULCTQK-IEBWSBKVSA-N 1 0 380.822 4.067 20 0 GIADRO C[NH+](C)Cc1ccc(NC(=O)CSCC(=O)c2ccc(Cl)cc2)c(F)c1 ZINC000413939067 823871957 /nfs/dbraw/zinc/87/19/57/823871957.db2.gz NLEZJDQZMWSTIK-UHFFFAOYSA-N 1 0 394.899 4.095 20 0 GIADRO Cc1ccc(-c2nnc([C@H](C)N[C@H]3CC[N@H+](C)[C@H]3c3ccccc3)o2)cc1C ZINC000574961654 823872719 /nfs/dbraw/zinc/87/27/19/823872719.db2.gz GHWARDOALASKER-YYWHXJBOSA-N 1 0 376.504 4.449 20 0 GIADRO COc1ccc(C[C@@](C)(O)C[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)cc1OC ZINC000574964740 823874363 /nfs/dbraw/zinc/87/43/63/823874363.db2.gz ULIYKTGKIOLSNG-HSZRJFAPSA-N 1 0 399.462 4.186 20 0 GIADRO Cc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(C(=O)NC[C@@H]3CCCO3)c1)CCC2 ZINC000166312210 823875012 /nfs/dbraw/zinc/87/50/12/823875012.db2.gz UIDCDBSOFKTTSA-JTHBVZDNSA-N 1 0 378.516 4.071 20 0 GIADRO CC[C@H](C)n1ncc(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c1C1CC1 ZINC000126469035 823876419 /nfs/dbraw/zinc/87/64/19/823876419.db2.gz STBWCFPAFUBELU-AZUAARDMSA-N 1 0 394.563 4.026 20 0 GIADRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)c2nc3ccccc3s2)CC1 ZINC000166380595 823876649 /nfs/dbraw/zinc/87/66/49/823876649.db2.gz POJRNHQOIPORAQ-UHFFFAOYSA-N 1 0 379.529 4.281 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)COC(c2ccccc2)c2ccccc2)CC1 ZINC000064738551 823877053 /nfs/dbraw/zinc/87/70/53/823877053.db2.gz YBFBWGJGFSWYAE-UHFFFAOYSA-N 1 0 394.559 4.371 20 0 GIADRO CC(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cccc(N3CCCC3)c2)c1 ZINC000126473115 823877477 /nfs/dbraw/zinc/87/74/77/823877477.db2.gz HOKUGZUYTCLRTC-IAGOWNOFSA-N 1 0 379.504 4.167 20 0 GIADRO COc1cc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c(Cl)c(OC)c1 ZINC000413958102 823877800 /nfs/dbraw/zinc/87/78/00/823877800.db2.gz NSSUBAHAZIMOAS-INIZCTEOSA-N 1 0 388.895 4.208 20 0 GIADRO COc1cccc(N2CC[C@H](C[NH2+][C@@H](C[C@@H]3CCOC3)c3ccccc3)C2)c1 ZINC000166455204 823877954 /nfs/dbraw/zinc/87/79/54/823877954.db2.gz PXBBLRYPKQUJMA-ROKPMTFOSA-N 1 0 380.532 4.279 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+][C@H]1CCCN(c2cnn(C)c2)C1 ZINC000166460840 823878044 /nfs/dbraw/zinc/87/80/44/823878044.db2.gz VCLJEOOOUIHBQA-KDOFPFPSSA-N 1 0 399.539 4.311 20 0 GIADRO C[C@@H](C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)N(C)CC(F)(F)F ZINC000192144525 823878929 /nfs/dbraw/zinc/87/89/29/823878929.db2.gz JSNSSTSRRJYWON-HNNXBMFYSA-N 1 0 385.474 4.272 20 0 GIADRO O[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@@H]1CCSc2ccc(Br)cc21 ZINC000166612703 823879837 /nfs/dbraw/zinc/87/98/37/823879837.db2.gz PEIKBSKQWARCNM-NUJGCVRESA-N 1 0 376.319 4.234 20 0 GIADRO C[C@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1O)c1ccc(OC(F)F)cc1OC(F)F ZINC000166634860 823879869 /nfs/dbraw/zinc/87/98/69/823879869.db2.gz FVZGIBQQAFSVJM-GLZQIGESSA-N 1 0 385.357 4.198 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H](C)c2cnn(-c3ccccn3)c2C)cc1 ZINC000166669257 823880499 /nfs/dbraw/zinc/88/04/99/823880499.db2.gz NVNNYOQCMKQJFD-IRXDYDNUSA-N 1 0 386.503 4.482 20 0 GIADRO Cc1c(Cl)cccc1NNC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000064755669 823880791 /nfs/dbraw/zinc/88/07/91/823880791.db2.gz LXOPZAKUCOATKK-HNNXBMFYSA-N 1 0 392.956 4.248 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCc1cccc(F)c1 ZINC000064755161 823881073 /nfs/dbraw/zinc/88/10/73/823881073.db2.gz BCCORDVCJTWNGR-UHFFFAOYSA-N 1 0 397.416 4.118 20 0 GIADRO COc1cccc([C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c2cc(F)ccc2OC)c1 ZINC000166757075 823882278 /nfs/dbraw/zinc/88/22/78/823882278.db2.gz ZOWYQLCFQAFYLW-YYDVJCTNSA-N 1 0 384.495 4.149 20 0 GIADRO COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]C[C@@H]2CC3(CCC3)C(=O)O2)cc1 ZINC000192153927 823882561 /nfs/dbraw/zinc/88/25/61/823882561.db2.gz SXLGNFOWKUVRSX-LEWJYISDSA-N 1 0 383.463 4.194 20 0 GIADRO CC[N@H+](CCC1CCN(C(=O)NCC(F)(F)c2ccccc2)CC1)CC1CC1 ZINC000462230440 823884610 /nfs/dbraw/zinc/88/46/10/823884610.db2.gz SWCJGKQKUYMJRF-UHFFFAOYSA-N 1 0 393.522 4.322 20 0 GIADRO O=C(NC[C@H](Cc1ccccc1)C(F)(F)F)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000462231901 823885649 /nfs/dbraw/zinc/88/56/49/823885649.db2.gz YMDHSZKTVUPGTD-SFHVURJKSA-N 1 0 397.485 4.068 20 0 GIADRO CCOCCOc1cc(C)ccc1C[NH2+][C@@H]1CCCOc2ccc(OC)cc21 ZINC000167137975 823887155 /nfs/dbraw/zinc/88/71/55/823887155.db2.gz GZJVCKKNLUUPEY-OAQYLSRUSA-N 1 0 385.504 4.422 20 0 GIADRO O=C(c1cccnc1Nc1ccccc1F)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000126510674 823887397 /nfs/dbraw/zinc/88/73/97/823887397.db2.gz YITOYNQPDBGSCM-KKSFZXQISA-N 1 0 394.494 4.053 20 0 GIADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CCSc3c(F)cccc32)o1 ZINC000126511098 823887486 /nfs/dbraw/zinc/88/74/86/823887486.db2.gz ANOGWSLKXWVSTH-SFHVURJKSA-N 1 0 391.512 4.037 20 0 GIADRO Clc1cc(C[NH2+]C2CCN(Cc3ccncc3)CC2)ccc1Br ZINC000192166114 823888392 /nfs/dbraw/zinc/88/83/92/823888392.db2.gz KHCYVGUTVNJWAJ-UHFFFAOYSA-N 1 0 394.744 4.252 20 0 GIADRO CC[NH+](CC)CCOc1ccc(NC(=O)c2ccc(Br)cc2)cc1 ZINC000167212687 823889521 /nfs/dbraw/zinc/88/95/21/823889521.db2.gz SMDHKBAAZYJIRG-UHFFFAOYSA-N 1 0 391.309 4.422 20 0 GIADRO Cc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(NC(=O)NCc3ccncc3)c1)CC2 ZINC000167402617 823891579 /nfs/dbraw/zinc/89/15/79/823891579.db2.gz YDJRBUKDQABBOJ-HSZRJFAPSA-N 1 0 386.499 4.489 20 0 GIADRO CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2sc(-c3ccc(Cl)cc3)nc2C)C1 ZINC000126528092 823891437 /nfs/dbraw/zinc/89/14/37/823891437.db2.gz ABAMIEXCUFAABC-LRDDRELGSA-N 1 0 377.941 4.433 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCN(c2c(F)cccc2F)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000167470516 823892715 /nfs/dbraw/zinc/89/27/15/823892715.db2.gz XFAVUWMIQQECJI-HIFRSBDPSA-N 1 0 385.458 4.124 20 0 GIADRO COCCOc1cc(C)ccc1C[NH2+][C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000167640098 823894319 /nfs/dbraw/zinc/89/43/19/823894319.db2.gz LGAKUZNSCVZXHI-SFHVURJKSA-N 1 0 379.504 4.365 20 0 GIADRO CC(C)C(=O)Nc1cccc(NC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000126546417 823895273 /nfs/dbraw/zinc/89/52/73/823895273.db2.gz BPBGYSQXMIGIBG-OAQYLSRUSA-N 1 0 394.519 4.067 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2N2CCC(O)CC2)cc1F ZINC000167786135 823895265 /nfs/dbraw/zinc/89/52/65/823895265.db2.gz MIXDSSCQUKTTRD-GJZGRUSLSA-N 1 0 390.474 4.346 20 0 GIADRO C[C@H]([NH2+]Cc1ccccc1CN1C(=O)NC2(CCCCC2)C1=O)c1cccs1 ZINC000167891033 823897590 /nfs/dbraw/zinc/89/75/90/823897590.db2.gz XJGHSSDTGXWSBU-INIZCTEOSA-N 1 0 397.544 4.354 20 0 GIADRO COc1ccc2cccc(CC(=O)Nc3cccc4c3OCC[C@@H]4[NH+](C)C)c2c1 ZINC000575039240 823897571 /nfs/dbraw/zinc/89/75/71/823897571.db2.gz YHPRMGQFCCNEDB-QFIPXVFZSA-N 1 0 390.483 4.415 20 0 GIADRO COc1ccc(C[C@H](C)[NH2+][C@H](C)c2cccc(OCc3ccccn3)c2)cn1 ZINC000414063626 823899150 /nfs/dbraw/zinc/89/91/50/823899150.db2.gz DYXQCOTWAYLWHZ-ZWKOTPCHSA-N 1 0 377.488 4.346 20 0 GIADRO COc1ccc(C[C@H](C)[NH2+][C@@H](C)c2cccc(OCc3ccccn3)c2)cn1 ZINC000414063623 823899216 /nfs/dbraw/zinc/89/92/16/823899216.db2.gz DYXQCOTWAYLWHZ-ROUUACIJSA-N 1 0 377.488 4.346 20 0 GIADRO Clc1cc(C[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)ccc1Br ZINC000192200841 823900130 /nfs/dbraw/zinc/90/01/30/823900130.db2.gz QXAQSHRYMMYNSL-IUODEOHRSA-N 1 0 376.747 4.247 20 0 GIADRO CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3ncccc3F)C2)cc1 ZINC000168117303 823900241 /nfs/dbraw/zinc/90/02/41/823900241.db2.gz PQYGYTLMLQSQPT-VQIMIIECSA-N 1 0 399.514 4.024 20 0 GIADRO Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)NCC1(C)CC[NH2+]CC1 ZINC000575052359 823900387 /nfs/dbraw/zinc/90/03/87/823900387.db2.gz XHPBSUBNYQPNEW-UHFFFAOYSA-N 1 0 382.291 4.076 20 0 GIADRO COc1cc(C[NH2+][C@@H]2CC[C@H](c3cccc(Cl)c3)C2)ccc1OCCO ZINC000414070358 823900616 /nfs/dbraw/zinc/90/06/16/823900616.db2.gz LCQPDAAFZFUBNK-PKOBYXMFSA-N 1 0 375.896 4.146 20 0 GIADRO CC(C)(C)c1ccc(CNc2ccc(CC[NH+]3CCC(C(N)=O)CC3)cc2)cc1 ZINC000126566187 823900779 /nfs/dbraw/zinc/90/07/79/823900779.db2.gz MDBSDRHJCJRDAF-UHFFFAOYSA-N 1 0 393.575 4.336 20 0 GIADRO Cc1noc(C)c1[C@H](C)[NH2+][C@@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000168232121 823901526 /nfs/dbraw/zinc/90/15/26/823901526.db2.gz DTMJKHBBQNEHRV-QWRGUYRKSA-N 1 0 385.386 4.258 20 0 GIADRO C[C@H](CC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccc(F)c(Br)c1 ZINC000462257661 823902010 /nfs/dbraw/zinc/90/20/10/823902010.db2.gz QGNACBVFWHNLMB-QIIPPGSGSA-N 1 0 397.332 4.025 20 0 GIADRO COc1cccc(C[C@@H]([NH2+]CCc2nnc3n2CCCCC3)c2ccccc2)c1 ZINC000126571819 823902174 /nfs/dbraw/zinc/90/21/74/823902174.db2.gz YZLVURRRTVABGN-JOCHJYFZSA-N 1 0 390.531 4.129 20 0 GIADRO CN(C)C1(C[NH2+][C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)CCOCC1 ZINC000168343352 823902212 /nfs/dbraw/zinc/90/22/12/823902212.db2.gz RXXXWAOKKUQAFE-QGZVFWFLSA-N 1 0 389.540 4.027 20 0 GIADRO Cc1nccn1-c1ccc(C[NH2+][C@H]2CCCOc3cc4c(cc32)CCCC4)cn1 ZINC000126573497 823902305 /nfs/dbraw/zinc/90/23/05/823902305.db2.gz YKWSPHWZEVXPKO-QFIPXVFZSA-N 1 0 388.515 4.458 20 0 GIADRO COCCOc1ccc([C@@H](C)[NH2+]C2CCN(c3cccs3)CC2)cc1OC ZINC000168432608 823903255 /nfs/dbraw/zinc/90/32/55/823903255.db2.gz NZZSMERACVGJDP-MRXNPFEDSA-N 1 0 390.549 4.102 20 0 GIADRO COC(=O)c1cnc([C@H](C)[NH2+]CC2(c3cccc(C(F)(F)F)c3)CC2)s1 ZINC000414079181 823903655 /nfs/dbraw/zinc/90/36/55/823903655.db2.gz RQPVOEVJZLQSFC-NSHDSACASA-N 1 0 384.423 4.331 20 0 GIADRO COCCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2cc(OC)c(OC)cc2F)cc1 ZINC000168557114 823903876 /nfs/dbraw/zinc/90/38/76/823903876.db2.gz TZTHNAQXIOFARF-CABCVRRESA-N 1 0 377.456 4.280 20 0 GIADRO COc1cc(C[NH2+][C@@H]2CCCOc3ccc(C(C)C)cc32)ccc1OCCO ZINC000126577198 823904106 /nfs/dbraw/zinc/90/41/06/823904106.db2.gz CCDVUNYYYDZMGN-HXUWFJFHSA-N 1 0 385.504 4.193 20 0 GIADRO C[C@H](C(=O)NCc1ccc(C[NH+](C)C)c(F)c1)c1cccc(Br)c1 ZINC000462267870 823906460 /nfs/dbraw/zinc/90/64/60/823906460.db2.gz JFCRGYYJARHVNB-ZDUSSCGKSA-N 1 0 393.300 4.070 20 0 GIADRO Cc1ccc(OCc2nc(C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCCC4)cs2)cc1 ZINC000168974816 823907439 /nfs/dbraw/zinc/90/74/39/823907439.db2.gz HVTLHNPWFBCQQX-TYPHKJRUSA-N 1 0 384.545 4.468 20 0 GIADRO CC(C)(C)C[C@@H]([NH2+]C[C@@]1(CCO)CCOC1)c1ccc(Br)cc1 ZINC000414093083 823907518 /nfs/dbraw/zinc/90/75/18/823907518.db2.gz LZBHDJOSUIWUTR-IEBWSBKVSA-N 1 0 384.358 4.305 20 0 GIADRO Cc1nc2ccccc2n1CC[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000064901280 823908400 /nfs/dbraw/zinc/90/84/00/823908400.db2.gz PXZZICXIDLDCIC-UHFFFAOYSA-N 1 0 399.420 4.339 20 0 GIADRO CC(C)n1cc([C@H](C)[NH2+][C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)cn1 ZINC000169107818 823908872 /nfs/dbraw/zinc/90/88/72/823908872.db2.gz GOGFFIQPDLLRCV-KXBFYZLASA-N 1 0 380.458 4.408 20 0 GIADRO Clc1ccc2c(c1Cl)OCCC[C@@H]2[NH2+]CCc1nnc2n1CCCCC2 ZINC000126604247 823909502 /nfs/dbraw/zinc/90/95/02/823909502.db2.gz JKZLLMJCGDWQOD-HNNXBMFYSA-N 1 0 395.334 4.357 20 0 GIADRO Cc1cnn([C@H]2CCN([C@@H](c3nc(-c4ccccc4)no3)c3ccccc3)C2)c1 ZINC000575097935 823911943 /nfs/dbraw/zinc/91/19/43/823911943.db2.gz UTYFTWSAFCGZDK-LEWJYISDSA-N 1 0 385.471 4.278 20 0 GIADRO O=C1[C@H]([NH2+][C@@H]2CC[C@H](c3cccc(Cl)c3)C2)CCCN1Cc1ccccn1 ZINC000414113385 823912546 /nfs/dbraw/zinc/91/25/46/823912546.db2.gz RTCWHTBQEJXFIV-FBBABVLZSA-N 1 0 383.923 4.152 20 0 GIADRO COc1ccc([C@H](C)[NH2+]C[C@H]2CCN(c3cc(OC)cc(OC)c3)C2)c(C)c1 ZINC000414118001 823913546 /nfs/dbraw/zinc/91/35/46/823913546.db2.gz UDJNSUVEZLVWPK-ZWKOTPCHSA-N 1 0 384.520 4.198 20 0 GIADRO Brc1cccc([C@@H]([NH2+][C@H]2CCc3c[nH]nc3C2)c2ccccc2)c1 ZINC000414118813 823914001 /nfs/dbraw/zinc/91/40/01/823914001.db2.gz VUUQOIHNKQVDAG-ICSRJNTNSA-N 1 0 382.305 4.409 20 0 GIADRO Brc1cccc([C@@H]([NH2+][C@@H]2CCc3c[nH]nc3C2)c2ccccc2)c1 ZINC000414118814 823914069 /nfs/dbraw/zinc/91/40/69/823914069.db2.gz VUUQOIHNKQVDAG-QUCCMNQESA-N 1 0 382.305 4.409 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@H](c1ccccc1)n1cccn1 ZINC000064934263 823914459 /nfs/dbraw/zinc/91/44/59/823914459.db2.gz IMYXQRZOJGIZOR-QHCPKHFHSA-N 1 0 388.515 4.140 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CCCc2nnc(SC)n2CC(C)C)c(C)c1 ZINC000414126231 823914716 /nfs/dbraw/zinc/91/47/16/823914716.db2.gz RCGNWUXPUADVEX-MRXNPFEDSA-N 1 0 376.570 4.256 20 0 GIADRO CC(C)(C)S(=O)(=O)N1CCC([NH2+][C@H]2CC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000414128310 823915398 /nfs/dbraw/zinc/91/53/98/823915398.db2.gz GWXHQXRZHUWTSR-LPHOPBHVSA-N 1 0 399.000 4.158 20 0 GIADRO COc1ccc(C[NH2+][C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)c(C)c1OC ZINC000575112613 823915438 /nfs/dbraw/zinc/91/54/38/823915438.db2.gz XYZGTOOCOVLLRQ-LBPRGKRZSA-N 1 0 385.430 4.239 20 0 GIADRO CSc1ccccc1NC(=O)CC[N@H+](C)Cc1ccccc1N1CCCC1 ZINC000126632196 823915554 /nfs/dbraw/zinc/91/55/54/823915554.db2.gz IJSKUPULDRGVPF-UHFFFAOYSA-N 1 0 383.561 4.469 20 0 GIADRO COC(=O)c1cnc([C@@H](C)[NH2+]CC2(c3cccc(Br)c3)CC2)s1 ZINC000414129095 823915926 /nfs/dbraw/zinc/91/59/26/823915926.db2.gz UQIMMNGBXXWGPH-LLVKDONJSA-N 1 0 395.322 4.075 20 0 GIADRO O=C(Cc1ccccc1Cl)N1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000064942097 823915946 /nfs/dbraw/zinc/91/59/46/823915946.db2.gz CPCNSTSJLHGJBC-UHFFFAOYSA-N 1 0 394.902 4.086 20 0 GIADRO COc1ccc(C[C@@H](C)[NH2+][C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)cn1 ZINC000414130931 823916695 /nfs/dbraw/zinc/91/66/95/823916695.db2.gz XCAOVTHLYOENLL-IAGOWNOFSA-N 1 0 390.487 4.019 20 0 GIADRO CS(=O)(=O)c1cccc([C@H]([NH2+][C@H]2CCC[C@H](F)C2)c2ccc(F)cc2F)c1 ZINC000575123135 823917264 /nfs/dbraw/zinc/91/72/64/823917264.db2.gz XNOIMBRWMNAAIR-UVFQYZLESA-N 1 0 397.462 4.328 20 0 GIADRO CC(C)[NH2+]CCCNC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000575122003 823917321 /nfs/dbraw/zinc/91/73/21/823917321.db2.gz VQNIIGMJZMWIKR-UHFFFAOYSA-N 1 0 381.398 4.011 20 0 GIADRO C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H](Cc2ccccc2C(F)(F)F)C(C)(C)C)C1 ZINC000462305460 823918563 /nfs/dbraw/zinc/91/85/63/823918563.db2.gz KGAYPHXXOULTNJ-YJBOKZPZSA-N 1 0 399.501 4.256 20 0 GIADRO O=S1(=O)C[C@H](C[NH2+][C@@H]2CC[C@H](c3cccc(Cl)c3)C2)c2ccccc21 ZINC000414149557 823918844 /nfs/dbraw/zinc/91/88/44/823918844.db2.gz UVWJCIKITGDWOM-XYJFISCASA-N 1 0 375.921 4.137 20 0 GIADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000414147509 823918883 /nfs/dbraw/zinc/91/88/83/823918883.db2.gz MMLAZCHHHNYYHZ-DYEKYZERSA-N 1 0 395.263 4.100 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1cncc(F)c1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000414154819 823919353 /nfs/dbraw/zinc/91/93/53/823919353.db2.gz LOAKNQVRKJTTDF-CABCVRRESA-N 1 0 376.497 4.349 20 0 GIADRO COc1cc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)cc(OC)c1OCC(F)F ZINC000575130940 823919653 /nfs/dbraw/zinc/91/96/53/823919653.db2.gz NDLBDBDFJSHIOH-QGZVFWFLSA-N 1 0 377.431 4.337 20 0 GIADRO CCN1CC[C@H]([NH2+]Cc2cc(C)c(C(=O)OC)o2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000575140318 823921697 /nfs/dbraw/zinc/92/16/97/823921697.db2.gz PLWXWHIQRBGZPO-ZWKOTPCHSA-N 1 0 394.874 4.092 20 0 GIADRO COc1ccc([C@H](CO)C[NH2+][C@H](C)c2cnn(-c3cccc(Cl)c3)c2C)cc1 ZINC000414171238 823922095 /nfs/dbraw/zinc/92/20/95/823922095.db2.gz CWCIMHSDCHDZKR-QAPCUYQASA-N 1 0 399.922 4.269 20 0 GIADRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)Cc3coc4ccccc34)cc2)C1 ZINC000575145326 823922855 /nfs/dbraw/zinc/92/28/55/823922855.db2.gz JWEBPQWCGKBWFW-KRWDZBQOSA-N 1 0 378.472 4.335 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)CCCc1ccc(F)c(F)c1 ZINC000126667040 823922898 /nfs/dbraw/zinc/92/28/98/823922898.db2.gz GSDZKTHYMCNXIG-UHFFFAOYSA-N 1 0 387.474 4.058 20 0 GIADRO O=C(c1ccc2ncsc2c1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000170636524 823923307 /nfs/dbraw/zinc/92/33/07/823923307.db2.gz WGKOCWBHINVZKJ-UHFFFAOYSA-N 1 0 379.529 4.077 20 0 GIADRO COc1ccc([C@H](C)N[C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c(F)c1 ZINC000126669908 823923432 /nfs/dbraw/zinc/92/34/32/823923432.db2.gz YHCBFUAHLVZCOV-JKSUJKDBSA-N 1 0 389.490 4.137 20 0 GIADRO C[N@H+](CCCCCc1cc(-c2ccccc2)no1)CN1CCSC1=S ZINC000170638611 823923854 /nfs/dbraw/zinc/92/38/54/823923854.db2.gz ANIUEJMSWFEYIA-UHFFFAOYSA-N 1 0 375.563 4.277 20 0 GIADRO COCCOc1ccc(CC(=O)Nc2cccc3c2C[N@H+](CCC(C)C)C3)cc1 ZINC000192267406 823923861 /nfs/dbraw/zinc/92/38/61/823923861.db2.gz GEMUJPFEOZRFFL-UHFFFAOYSA-N 1 0 396.531 4.255 20 0 GIADRO COc1ccc([C@@H](CO)C[NH2+][C@@H](C)c2ccc(OCC(F)(F)F)cc2)cc1 ZINC000414186262 823924432 /nfs/dbraw/zinc/92/44/32/823924432.db2.gz PMUTULQPUMLDKM-WMLDXEAASA-N 1 0 383.410 4.063 20 0 GIADRO C[C@@H]1C[C@@H](N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)c2nccn21 ZINC000414186234 823924489 /nfs/dbraw/zinc/92/44/89/823924489.db2.gz PJYRXANXZBUTGV-FJTGNWTPSA-N 1 0 390.506 4.286 20 0 GIADRO COc1ccc(C)cc1C[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000065014580 823924720 /nfs/dbraw/zinc/92/47/20/823924720.db2.gz AHVPPCLKGHYNSG-UHFFFAOYSA-N 1 0 375.394 4.498 20 0 GIADRO O=C(Nc1cccc(-c2ccc3c(c2)CCO3)c1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000575152776 823925221 /nfs/dbraw/zinc/92/52/21/823925221.db2.gz ZIWMXMXLDMLIFW-RTWAWAEBSA-N 1 0 391.515 4.142 20 0 GIADRO C[C@@H]1C[C@H]([NH2+]CCc2nnc3n2CCCCC3)c2cccc(Br)c21 ZINC000126680149 823925992 /nfs/dbraw/zinc/92/59/92/823925992.db2.gz IWHKKPDJZUGIQP-CJNGLKHVSA-N 1 0 389.341 4.148 20 0 GIADRO Brc1cc(Br)cc(C[NH2+]Cc2cnn3ccccc23)c1 ZINC000575156976 823926210 /nfs/dbraw/zinc/92/62/10/823926210.db2.gz IYUALOIGOMXNLQ-UHFFFAOYSA-N 1 0 395.098 4.149 20 0 GIADRO CC(C)(C)OC(=O)NC[C@H]1CCN(Cc2csc(-c3cccs3)n2)C1 ZINC000170648137 823926531 /nfs/dbraw/zinc/92/65/31/823926531.db2.gz UGTSFHVJUHTAHH-CYBMUJFWSA-N 1 0 379.551 4.218 20 0 GIADRO CC(C)(C)OC(=O)NC[C@@H]1CCN(Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000170648099 823926777 /nfs/dbraw/zinc/92/67/77/823926777.db2.gz PNCXDWVSORMZNH-AWEZNQCLSA-N 1 0 391.899 4.342 20 0 GIADRO COc1ccc([C@H](CO)C[NH2+][C@H](C)c2ccc(F)c(Br)c2)cc1 ZINC000414201763 823927595 /nfs/dbraw/zinc/92/75/95/823927595.db2.gz YQZJSXXNGDSIIX-DOMZBBRYSA-N 1 0 382.273 4.024 20 0 GIADRO COc1ccc([C@@H](CO)C[NH2+][C@H](C)c2ccc(F)c(Br)c2)cc1 ZINC000414201764 823927702 /nfs/dbraw/zinc/92/77/02/823927702.db2.gz YQZJSXXNGDSIIX-IUODEOHRSA-N 1 0 382.273 4.024 20 0 GIADRO C[C@H]([NH2+]CCc1nnc2n1CCCCC2)c1cc(Cl)ccc1OC(F)F ZINC000126689057 823927883 /nfs/dbraw/zinc/92/78/83/823927883.db2.gz KWQPXAQMNSWYCT-LBPRGKRZSA-N 1 0 384.858 4.153 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(CNC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000414204836 823928212 /nfs/dbraw/zinc/92/82/12/823928212.db2.gz BVEGRJIAYQUPQP-UHFFFAOYSA-N 1 0 399.000 4.020 20 0 GIADRO Cc1cc(C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)ccc1NC(=O)c1cccs1 ZINC000126693082 823928629 /nfs/dbraw/zinc/92/86/29/823928629.db2.gz NFQYQGRGECWMPO-KRWDZBQOSA-N 1 0 399.560 4.017 20 0 GIADRO CC(C)(C)C(=O)N1CCC([NH2+]Cc2cccc(Br)c2Cl)CC1 ZINC000414209534 823928948 /nfs/dbraw/zinc/92/89/48/823928948.db2.gz KODCXVVGRKOXMZ-UHFFFAOYSA-N 1 0 387.749 4.229 20 0 GIADRO C[C@@H](N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1cccnc1Cl ZINC000126693863 823929282 /nfs/dbraw/zinc/92/92/82/823929282.db2.gz SVKALAYZBPJSFC-HUUCEWRRSA-N 1 0 376.907 4.038 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)c2ccc(OC)c(F)c2)c1 ZINC000414215858 823931380 /nfs/dbraw/zinc/93/13/80/823931380.db2.gz YMZHHPWWXBIBIA-LBPRGKRZSA-N 1 0 385.888 4.132 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H]2CCCc3c(O)cccc32)c1 ZINC000414215588 823931701 /nfs/dbraw/zinc/93/17/01/823931701.db2.gz XVFDSMQOYKWQQP-SFHVURJKSA-N 1 0 379.909 4.006 20 0 GIADRO CNc1ccc(Cl)c(C(=O)N[C@H]2CC[N@H+](C3CC3)[C@@H]2c2cccc(OC)c2)c1 ZINC000575175781 823932039 /nfs/dbraw/zinc/93/20/39/823932039.db2.gz RCAQDJXLOZSCPX-LEWJYISDSA-N 1 0 399.922 4.098 20 0 GIADRO C[C@H](SCC1CC[NH2+]CC1)c1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000575178219 823932319 /nfs/dbraw/zinc/93/23/19/823932319.db2.gz PYCIAZYKYBOAKP-NSHDSACASA-N 1 0 375.519 4.451 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1cc(F)cc(F)c1 ZINC000126711353 823932977 /nfs/dbraw/zinc/93/29/77/823932977.db2.gz QKTLGGMIQDMRNH-CABCVRRESA-N 1 0 377.454 4.268 20 0 GIADRO COc1ccc(NC(=O)N[C@]2(C)CC[N@H+](Cc3ccccc3)C2)cc1SC ZINC000575185826 823933591 /nfs/dbraw/zinc/93/35/91/823933591.db2.gz KSEXRMNGQAYCPL-OAQYLSRUSA-N 1 0 385.533 4.203 20 0 GIADRO C[C@@H]1C[C@@H]([NH2+][C@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)CS1 ZINC000414226110 823933745 /nfs/dbraw/zinc/93/37/45/823933745.db2.gz JNVAFLUPSGYXFG-OMWUSAIZSA-N 1 0 395.977 4.317 20 0 GIADRO COc1ccc([C@H](Cc2ccccc2)NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000462348424 823934717 /nfs/dbraw/zinc/93/47/17/823934717.db2.gz ONAGXNMKWKRIAM-AAIMPIBUSA-N 1 0 395.547 4.103 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)Nc2c(F)cc(F)cc2Br)CC1 ZINC000192289210 823934875 /nfs/dbraw/zinc/93/48/75/823934875.db2.gz KKRJTXJKSYKXOL-UHFFFAOYSA-N 1 0 390.272 4.065 20 0 GIADRO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H](Cc2ccccc2)c2ccc(OC)cc2)C1 ZINC000462349251 823935379 /nfs/dbraw/zinc/93/53/79/823935379.db2.gz RCPJJUZFCKWVMW-FYYLOGMGSA-N 1 0 395.547 4.105 20 0 GIADRO C[NH+]1CCC(Nc2ccccc2NC(=O)COc2ccc(F)cc2Cl)CC1 ZINC000170678482 823935281 /nfs/dbraw/zinc/93/52/81/823935281.db2.gz FTQPBPKBERVUGK-UHFFFAOYSA-N 1 0 391.874 4.003 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)N[C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000170679736 823935842 /nfs/dbraw/zinc/93/58/42/823935842.db2.gz WJLQVFRUVLKVNQ-PKTZIBPZSA-N 1 0 393.531 4.002 20 0 GIADRO COCCOc1cccc(C(=O)Nc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)c1 ZINC000065072337 823935934 /nfs/dbraw/zinc/93/59/34/823935934.db2.gz DXWBPQZBJZCMDI-GOSISDBHSA-N 1 0 382.504 4.339 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@H](C)c2ccc(SC)c(OC)c2)cn1 ZINC000414236582 823936107 /nfs/dbraw/zinc/93/61/07/823936107.db2.gz AKPXODAPLZUAMU-PTSWNOGYSA-N 1 0 375.538 4.062 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@@H](C)c2ccc(-c3ccncc3)cc2)cn1 ZINC000414240674 823937431 /nfs/dbraw/zinc/93/74/31/823937431.db2.gz DZLWJFDXBYJOBO-JWNTYJGQSA-N 1 0 376.504 4.393 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@H]2CCCOc3c(Cl)cc(C)cc32)cn1 ZINC000414242107 823937933 /nfs/dbraw/zinc/93/79/33/823937933.db2.gz HDUNVVCENMAFPS-RYGJVYDSSA-N 1 0 389.927 4.446 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]Cc2cc(Br)c(OC)c(OC)c2)cc1F ZINC000170684559 823938061 /nfs/dbraw/zinc/93/80/61/823938061.db2.gz JMSCEQGMPDEDGV-LLVKDONJSA-N 1 0 398.272 4.465 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000170684893 823938705 /nfs/dbraw/zinc/93/87/05/823938705.db2.gz JOLHPKATMNQUJB-FCHUYYIVSA-N 1 0 397.563 4.040 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@@H](C[C@H]2CCCO2)c2ccc(F)cc2)cn1 ZINC000414244174 823938855 /nfs/dbraw/zinc/93/88/55/823938855.db2.gz KTLOCPQIYQFCRE-KVJIRVJXSA-N 1 0 387.499 4.020 20 0 GIADRO C[C@H](NC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc(F)c1F ZINC000126739486 823939099 /nfs/dbraw/zinc/93/90/99/823939099.db2.gz JUUSJRKAIITFQJ-GJZGRUSLSA-N 1 0 393.503 4.299 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@@H](C)c2cc(Br)ccc2F)cn1 ZINC000414245378 823939270 /nfs/dbraw/zinc/93/92/70/823939270.db2.gz MKAIRTIHDUGWIC-ZJNRKIDTSA-N 1 0 396.304 4.233 20 0 GIADRO C[C@@H]1C[C@H](C[NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)[C@H](C)O1 ZINC000414247118 823939751 /nfs/dbraw/zinc/93/97/51/823939751.db2.gz CJIZGFJZKFZEBJ-AHMDFLBRSA-N 1 0 382.342 4.320 20 0 GIADRO OC[C@@H](C[NH2+]Cc1ccc(Br)cc1Cl)Cc1ccc(F)cc1 ZINC000462363282 823941501 /nfs/dbraw/zinc/94/15/01/823941501.db2.gz DRUCQQHNJNAAQP-CYBMUJFWSA-N 1 0 386.692 4.182 20 0 GIADRO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]C[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000414253935 823941951 /nfs/dbraw/zinc/94/19/51/823941951.db2.gz IOPXPURSEDLGGA-LPWJVIDDSA-N 1 0 392.849 4.479 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]CCC(C)(C)S(C)(=O)=O ZINC000414254468 823942452 /nfs/dbraw/zinc/94/24/52/823942452.db2.gz JXGQDIMMTIURDO-GFCCVEGCSA-N 1 0 384.542 4.122 20 0 GIADRO CC[C@H]([NH2+]C[C@@H]1CCO[C@H]1c1cnn(CC)c1)c1ccccc1Br ZINC000414254302 823942497 /nfs/dbraw/zinc/94/24/97/823942497.db2.gz UOZXYNIVXOHTPF-ZOCIIQOWSA-N 1 0 392.341 4.484 20 0 GIADRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000575218605 823942530 /nfs/dbraw/zinc/94/25/30/823942530.db2.gz HDZWKERKRRKTNV-NRFANRHFSA-N 1 0 384.495 4.285 20 0 GIADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1cnc(C)n1-c1ccccc1)Cc1ccncc1 ZINC000575218613 823942760 /nfs/dbraw/zinc/94/27/60/823942760.db2.gz HICPUTLHQFDLRH-HSZRJFAPSA-N 1 0 389.547 4.062 20 0 GIADRO FC(F)COc1ccc(C[NH2+]CCc2ccc(Br)s2)cc1 ZINC000462365825 823943002 /nfs/dbraw/zinc/94/30/02/823943002.db2.gz GKOKRGYJMZYDPF-UHFFFAOYSA-N 1 0 376.266 4.487 20 0 GIADRO COc1ccccc1NC(=O)C[C@@H](C)[NH2+]Cc1cc(C)ccc1Br ZINC000414259564 823944164 /nfs/dbraw/zinc/94/41/64/823944164.db2.gz MPXKNVLGQSYEBK-CQSZACIVSA-N 1 0 391.309 4.273 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@@H](C)c2ccc(Br)cc2F)cn1 ZINC000414259655 823944271 /nfs/dbraw/zinc/94/42/71/823944271.db2.gz YGOIFLKVXGYYTR-ZJNRKIDTSA-N 1 0 396.304 4.233 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@@H](C)c2cccc(Br)c2)cn1 ZINC000414259756 823944441 /nfs/dbraw/zinc/94/44/41/823944441.db2.gz YLWWOJCHVSISQJ-DHSIGJKJSA-N 1 0 378.314 4.094 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)c1ccc(OC)c(O)c1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000575222026 823944900 /nfs/dbraw/zinc/94/49/00/823944900.db2.gz LWPGQGCMRRNYCQ-XWFZLUIHSA-N 1 0 380.492 4.020 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Cc1ccc(C)nc1)c1ccc(C(F)(F)F)cc1 ZINC000065121620 823946896 /nfs/dbraw/zinc/94/68/96/823946896.db2.gz ZMAXJMUXIKPOAH-IBGZPJMESA-N 1 0 393.453 4.151 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)CCc1ccco1)c1ccc(C(F)(F)F)cc1 ZINC000065121837 823947431 /nfs/dbraw/zinc/94/74/31/823947431.db2.gz XZWGCKNYYOYJFT-GOSISDBHSA-N 1 0 382.426 4.430 20 0 GIADRO Cc1csc(NC(=O)N(CC[NH+](C)C)Cc2cccc(C(F)(F)F)c2)n1 ZINC000126773817 823947955 /nfs/dbraw/zinc/94/79/55/823947955.db2.gz RRFVIPXEXPKCRB-UHFFFAOYSA-N 1 0 386.443 4.066 20 0 GIADRO CC(C)(CC[NH2+][C@H]1CCCc2nc(-c3ccccc3F)sc21)S(C)(=O)=O ZINC000414274536 823949320 /nfs/dbraw/zinc/94/93/20/823949320.db2.gz ZHPPIUUBHNDOPN-HNNXBMFYSA-N 1 0 396.553 4.130 20 0 GIADRO O=C(NCCCCF)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC000462377210 823949537 /nfs/dbraw/zinc/94/95/37/823949537.db2.gz VTTLVPAAMZCELA-LEWJYISDSA-N 1 0 388.914 4.422 20 0 GIADRO COCCn1c(C)c(C)c2cc(C(=O)N3CCC([NH2+]C4CCCC4)CC3)ccc21 ZINC000126781374 823949821 /nfs/dbraw/zinc/94/98/21/823949821.db2.gz ZBFMDTJFYFUNBJ-UHFFFAOYSA-N 1 0 397.563 4.041 20 0 GIADRO CN(C(=O)[C@H]1CCCC[C@H]1C(F)(F)F)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000126781159 823949998 /nfs/dbraw/zinc/94/99/98/823949998.db2.gz JTFCJLWPMNOBKZ-RBUKOAKNSA-N 1 0 398.469 4.493 20 0 GIADRO CC(C)c1c(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cnn1-c1ccccc1 ZINC000192339663 823951852 /nfs/dbraw/zinc/95/18/52/823951852.db2.gz QVYMJDBHAYCRDX-JLYLLQBASA-N 1 0 381.524 4.133 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)Nc2c(C)cc(Br)cc2OC)CC1 ZINC000170715784 823952565 /nfs/dbraw/zinc/95/25/65/823952565.db2.gz MTGDDUXNNUGYHR-UHFFFAOYSA-N 1 0 398.345 4.104 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]C[C@@H](CO)c2ccc(F)cc2)cc1Br ZINC000414300506 823954078 /nfs/dbraw/zinc/95/40/78/823954078.db2.gz AVQVBXSWWXKGDQ-DOMZBBRYSA-N 1 0 382.273 4.024 20 0 GIADRO COc1ccccc1[C@H](C[NH2+]Cc1cc(OC)c(OC)cc1F)OC(C)C ZINC000575321621 823954514 /nfs/dbraw/zinc/95/45/14/823954514.db2.gz CPUYCMMTKIKYCW-NRFANRHFSA-N 1 0 377.456 4.107 20 0 GIADRO CC(C)(C[NH2+]C1CCN(c2nccs2)CC1)c1ccc(Br)cc1 ZINC000575325146 823955887 /nfs/dbraw/zinc/95/58/87/823955887.db2.gz RFBSGDASWATMBM-UHFFFAOYSA-N 1 0 394.382 4.442 20 0 GIADRO O=C1CC[C@H](c2cccc(N[C@@H]3CC[N@H+](Cc4ccccc4)[C@H]4CCC[C@H]43)c2)N1 ZINC000414317230 823956685 /nfs/dbraw/zinc/95/66/85/823956685.db2.gz OZABJVKTDNLDJY-KEZOAJOQSA-N 1 0 389.543 4.493 20 0 GIADRO NC(=O)CC[C@@H]1CCC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1 ZINC000170736287 823957724 /nfs/dbraw/zinc/95/77/24/823957724.db2.gz CJRIIGZKYNGEGS-IBGZPJMESA-N 1 0 388.515 4.017 20 0 GIADRO Clc1ccc(OCc2nc(CN3CC[C@@H]([NH+]4CCCC4)C3)cs2)cc1 ZINC000170741684 823958457 /nfs/dbraw/zinc/95/84/57/823958457.db2.gz URCAYYNJRXNJPS-QGZVFWFLSA-N 1 0 377.941 4.046 20 0 GIADRO CS(=O)(=O)CC1(C[NH2+][C@@H]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)CCC1 ZINC000414324976 823958423 /nfs/dbraw/zinc/95/84/23/823958423.db2.gz JNOOLWZCPQMHBJ-NVXWUHKLSA-N 1 0 389.483 4.146 20 0 GIADRO C[C@H]([NH2+]CC1(CS(C)(=O)=O)CCC1)c1ccc(SCC(F)(F)F)cc1 ZINC000414328207 823958720 /nfs/dbraw/zinc/95/87/20/823958720.db2.gz NONXSOLGLSVFBQ-ZDUSSCGKSA-N 1 0 395.512 4.207 20 0 GIADRO CC(C)(C)[C@H]1CC[N@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C[C@@H]1O ZINC000575338158 823958947 /nfs/dbraw/zinc/95/89/47/823958947.db2.gz MHSQKTSBGDDWAO-FPOVZHCZSA-N 1 0 382.552 4.289 20 0 GIADRO O=C([C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1)N1CCC([NH2+]C2CCCC2)CC1 ZINC000126819920 823959097 /nfs/dbraw/zinc/95/90/97/823959097.db2.gz ANPLVEBXPGQBMB-RTBURBONSA-N 1 0 380.454 4.332 20 0 GIADRO C[C@H]([NH2+]CC1(CS(C)(=O)=O)CCC1)c1ccccc1OCc1ccccc1 ZINC000414329677 823959220 /nfs/dbraw/zinc/95/92/20/823959220.db2.gz PGNYZDVMOYQZJT-SFHVURJKSA-N 1 0 387.545 4.131 20 0 GIADRO COC(=O)CC[C@@H]([NH2+]Cc1cn(-c2cccc(F)c2)nc1C)c1ccccc1 ZINC000414335471 823960302 /nfs/dbraw/zinc/96/03/02/823960302.db2.gz ODPSMLMCMCKPFQ-OAQYLSRUSA-N 1 0 381.451 4.104 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)N(C)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000575354825 823960736 /nfs/dbraw/zinc/96/07/36/823960736.db2.gz HZNXRDJVXXDORJ-IAGOWNOFSA-N 1 0 386.565 4.129 20 0 GIADRO COc1ccc([C@@H](Cc2ccncc2)[NH2+][C@@H]2CCN(c3ccc(F)cc3)C2)cc1 ZINC000414341650 823961273 /nfs/dbraw/zinc/96/12/73/823961273.db2.gz IDIABOCNGDWVLQ-ZJSXRUAMSA-N 1 0 391.490 4.382 20 0 GIADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC(C)(C)c1cccnc1 ZINC000414338721 823961379 /nfs/dbraw/zinc/96/13/79/823961379.db2.gz RYTBVSOIEXKWPW-CQSZACIVSA-N 1 0 390.325 4.129 20 0 GIADRO COc1cccc([C@@H]2C[C@H]2C[NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)c1 ZINC000414342323 823961409 /nfs/dbraw/zinc/96/14/09/823961409.db2.gz PBYKRANWXLZWTO-VPKVUBIPSA-N 1 0 379.504 4.433 20 0 GIADRO Cc1cccc(Oc2ccc(-c3nc(CC45CCC[NH+]4CCC5)no3)nc2)c1 ZINC000575362947 823962183 /nfs/dbraw/zinc/96/21/83/823962183.db2.gz QDEFPVJRAGIULR-UHFFFAOYSA-N 1 0 376.460 4.403 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)Cc1cn(C)c2ccc(F)cc12)c1ccc(-n2cncn2)cc1 ZINC000414348454 823962248 /nfs/dbraw/zinc/96/22/48/823962248.db2.gz OIMMAEFFTXCVCP-JKSUJKDBSA-N 1 0 377.467 4.180 20 0 GIADRO C[C@H](Cc1cn(C)c2ccc(F)cc12)[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000414348449 823962324 /nfs/dbraw/zinc/96/23/24/823962324.db2.gz OIMMAEFFTXCVCP-HZPDHXFCSA-N 1 0 377.467 4.180 20 0 GIADRO C[C@H]([NH2+]C1CCN(Cc2cccc(Br)c2)CC1)c1nccs1 ZINC000414352358 823963304 /nfs/dbraw/zinc/96/33/04/823963304.db2.gz PMDDQGCVHJHART-ZDUSSCGKSA-N 1 0 380.355 4.221 20 0 GIADRO Cc1ccc(C[NH2+]C2(c3ccc(OCc4ccccc4)cc3)CCOCC2)nn1 ZINC000414356512 823963762 /nfs/dbraw/zinc/96/37/62/823963762.db2.gz DZAHGALDSXQPPL-UHFFFAOYSA-N 1 0 389.499 4.160 20 0 GIADRO C[C@@H]([NH2+]C[C@H]1CCCN(Cc2cccs2)C1)c1cccc(N2CCCC2=O)c1 ZINC000126839421 823963832 /nfs/dbraw/zinc/96/38/32/823963832.db2.gz XUFANAKTFSQJOK-RTBURBONSA-N 1 0 397.588 4.438 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)N1CCCCC[C@H]1c1ccncc1)c1cccc(F)c1 ZINC000126846377 823965396 /nfs/dbraw/zinc/96/53/96/823965396.db2.gz HYJSBSKXMWSOBF-SFTDATJTSA-N 1 0 384.499 4.150 20 0 GIADRO C[C@@H]1C[C@H]1[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)c1ccc(Cl)cc1 ZINC000414363333 823965815 /nfs/dbraw/zinc/96/58/15/823965815.db2.gz XQAOBISFHCBKMC-PZDGAKPMSA-N 1 0 399.343 4.128 20 0 GIADRO C[C@@H]1C[C@H]1[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)c1ccc(Cl)cc1 ZINC000414363329 823965956 /nfs/dbraw/zinc/96/59/56/823965956.db2.gz XQAOBISFHCBKMC-MZKGEVEHSA-N 1 0 399.343 4.128 20 0 GIADRO 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 ZINC000462415757 823966532 /nfs/dbraw/zinc/96/65/32/823966532.db2.gz PCZPUQCZLVECHK-VKNJGNDWSA-N 1 0 392.971 4.289 20 0 GIADRO COCC[C@@H](NC(=O)[C@H]1C[NH2+]Cc2ccccc21)c1ccc(Cl)c(Cl)c1 ZINC000575399260 823967247 /nfs/dbraw/zinc/96/72/47/823967247.db2.gz YOCHFKZJZMACQJ-QFBILLFUSA-N 1 0 393.314 4.074 20 0 GIADRO Cc1cc(C(=O)NC2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)c(C)o1 ZINC000170777231 823968610 /nfs/dbraw/zinc/96/86/10/823968610.db2.gz KECCOOISWUDCHW-UHFFFAOYSA-N 1 0 380.410 4.310 20 0 GIADRO CC(C)c1cnc(NC(=O)N2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)s1 ZINC000192390269 823968625 /nfs/dbraw/zinc/96/86/25/823968625.db2.gz HOOWISHZLVPVKL-HZPDHXFCSA-N 1 0 394.585 4.010 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCN(C(=O)C2CCCC2)C1)c1ccc(F)cc1Br ZINC000126861889 823968955 /nfs/dbraw/zinc/96/89/55/823968955.db2.gz AARBLWRLUNPSGG-DOMZBBRYSA-N 1 0 383.305 4.030 20 0 GIADRO Cc1ccc([C@H](CNC(=O)c2cnc(-c3ccccn3)s2)[NH+]2CCCC2)cc1 ZINC000170781694 823970619 /nfs/dbraw/zinc/97/06/19/823970619.db2.gz LBUAXLAGWFYICK-IBGZPJMESA-N 1 0 392.528 4.080 20 0 GIADRO C[C@H]([NH2+]C[C@H]1CCCN(Cc2cccs2)C1)c1ccc(N2CCCC2=O)cc1 ZINC000126879914 823972689 /nfs/dbraw/zinc/97/26/89/823972689.db2.gz OHLGKQPFVXPZNT-RBUKOAKNSA-N 1 0 397.588 4.438 20 0 GIADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc(-c2ccccc2C(F)(F)F)on1 ZINC000462441504 823976603 /nfs/dbraw/zinc/97/66/03/823976603.db2.gz PJWBRSXLSKJDDB-ZIAGYGMSSA-N 1 0 393.409 4.059 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)Nc2ccc(OC)c(OC)c2OC)cc1)C(C)C ZINC000170810235 823976872 /nfs/dbraw/zinc/97/68/72/823976872.db2.gz LUKTVLHVOGSRQU-UHFFFAOYSA-N 1 0 386.492 4.195 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2cn(-c3cccc(F)c3)nc2C)C1)CC(F)(F)F ZINC000414416715 823977583 /nfs/dbraw/zinc/97/75/83/823977583.db2.gz WIKVCOOBBBAVJP-INIZCTEOSA-N 1 0 398.448 4.026 20 0 GIADRO Cc1c(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)cnn1-c1ccc(Cl)cc1 ZINC000575632029 823980102 /nfs/dbraw/zinc/98/01/02/823980102.db2.gz JGXQILGUEXTSPK-INIZCTEOSA-N 1 0 386.927 4.427 20 0 GIADRO C[N@H+](CCc1cccc(NC(=O)c2ccc3c(c2)CCCCC3=O)c1)C1CC1 ZINC000575631656 823980248 /nfs/dbraw/zinc/98/02/48/823980248.db2.gz WEHJXBKVAWNOPL-UHFFFAOYSA-N 1 0 376.500 4.485 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc3c2OCCC3)[C@H]1c1cccs1 ZINC000575636406 823982049 /nfs/dbraw/zinc/98/20/49/823982049.db2.gz NUQUAUANZPITTM-LPHOPBHVSA-N 1 0 385.533 4.278 20 0 GIADRO CS(=O)(=O)c1ccc(C[NH2+][C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)s1 ZINC000414427943 823982866 /nfs/dbraw/zinc/98/28/66/823982866.db2.gz AQKKVMHBYPENGV-MQMHXKEQSA-N 1 0 389.464 4.206 20 0 GIADRO CC1(CNC(=O)N[C@H](c2cc3ccccc3o2)c2ccccc2)CC[NH2+]CC1 ZINC000575733271 823983038 /nfs/dbraw/zinc/98/30/38/823983038.db2.gz PRKCBIXPXMSLRC-NRFANRHFSA-N 1 0 377.488 4.211 20 0 GIADRO CC(C)Oc1ccccc1[C@@H](C)[NH2+][C@H]1CCCc2c1cnn2-c1ncccn1 ZINC000575734460 823983122 /nfs/dbraw/zinc/98/31/22/823983122.db2.gz UUMGNNSMPGKPJI-APWZRJJASA-N 1 0 377.492 4.178 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2cc(C(F)(F)F)ccn2)[C@@H]1c1cccs1 ZINC000192421167 823983424 /nfs/dbraw/zinc/98/34/24/823983424.db2.gz IKBMKTPRWYXDBV-BLLLJJGKSA-N 1 0 398.454 4.367 20 0 GIADRO Cc1cc(C[N@@H+]2CCC[C@H](CNC(=O)CC(F)(F)F)C2)ccc1C(F)(F)F ZINC000414447217 823986957 /nfs/dbraw/zinc/98/69/57/823986957.db2.gz ZJDJNPZXRABJRS-CQSZACIVSA-N 1 0 396.375 4.294 20 0 GIADRO C[C@H](NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(-c2ccncc2)cc1 ZINC000575758409 823987691 /nfs/dbraw/zinc/98/76/91/823987691.db2.gz BWNMLUBZQLMPBZ-CYFREDJKSA-N 1 0 385.511 4.448 20 0 GIADRO CC(C)CC[N@@H+]1Cc2cccc(NC(=O)c3csc(-c4cnccn4)n3)c2C1 ZINC000170843868 823988784 /nfs/dbraw/zinc/98/87/84/823988784.db2.gz URCSDXSFUBMOBE-UHFFFAOYSA-N 1 0 393.516 4.214 20 0 GIADRO Brc1cccc2c(C[NH+]3CCC(c4ccncn4)CC3)ccnc12 ZINC000414465865 823990097 /nfs/dbraw/zinc/99/00/97/823990097.db2.gz ACBNGKNRURQAFZ-UHFFFAOYSA-N 1 0 383.293 4.167 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)C1(c2cccc(F)c2)CCC1 ZINC000126963925 823990539 /nfs/dbraw/zinc/99/05/39/823990539.db2.gz CVESAKAZYDKRCW-UHFFFAOYSA-N 1 0 396.506 4.090 20 0 GIADRO COCCOc1ccc(C[NH2+]Cc2cccc(Br)c2Cl)cc1 ZINC000414488264 823993613 /nfs/dbraw/zinc/99/36/13/823993613.db2.gz WGLJUGBCYRKLLT-UHFFFAOYSA-N 1 0 384.701 4.418 20 0 GIADRO CC[C@H](C)n1ncc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1C1CC1 ZINC000126981022 823993956 /nfs/dbraw/zinc/99/39/56/823993956.db2.gz AELAYDFFKKKOFD-NPPFBWRTSA-N 1 0 394.563 4.372 20 0 GIADRO COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]Cc2cccnc2OCC(F)(F)F)cc1 ZINC000575784172 823994008 /nfs/dbraw/zinc/99/40/08/823994008.db2.gz PEPJAPDZJXAACZ-FSPWUOQZSA-N 1 0 380.410 4.313 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)N[C@H](COC)c2cccc(Cl)c2)cc1)C1CC1 ZINC000575784821 823994784 /nfs/dbraw/zinc/99/47/84/823994784.db2.gz UIXWQSBVQYMCSF-OAQYLSRUSA-N 1 0 386.923 4.442 20 0 GIADRO COc1cccc2c1CC[C@@H](Nc1ccc(N3CCC([NH+](C)C)CC3)cc1)C2 ZINC000192446978 823995708 /nfs/dbraw/zinc/99/57/08/823995708.db2.gz VLMRQAQAIYMDCH-HXUWFJFHSA-N 1 0 379.548 4.195 20 0 GIADRO COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]Cc1cnccc1C(C)(C)C ZINC000414500047 823996406 /nfs/dbraw/zinc/99/64/06/823996406.db2.gz PLXITOYQBJNBLK-UHFFFAOYSA-N 1 0 382.460 4.210 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+]Cc2cc(-c3ccccc3)ccc2OC)cn1 ZINC000414501435 823996514 /nfs/dbraw/zinc/99/65/14/823996514.db2.gz HEZHTOHYRNOECZ-GBXCKJPGSA-N 1 0 391.515 4.446 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+]Cc2cnc(-c3ccccc3F)s2)cn1 ZINC000414501068 823996611 /nfs/dbraw/zinc/99/66/11/823996611.db2.gz GNBOWSDSOMYBKL-IFXJQAMLSA-N 1 0 386.496 4.033 20 0 GIADRO C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]Cc1ccccc1S(C)(=O)=O ZINC000414503777 823996802 /nfs/dbraw/zinc/99/68/02/823996802.db2.gz IZYKVHXTHUVAIQ-SDNWHVSQSA-N 1 0 383.435 4.302 20 0 GIADRO COc1cc(C[NH2+][C@H]2CS[C@H](C)C2)cc(Br)c1OC(F)F ZINC000414505422 823997493 /nfs/dbraw/zinc/99/74/93/823997493.db2.gz UPDXKWAPZYHMTO-PSASIEDQSA-N 1 0 382.270 4.043 20 0 GIADRO O=C(NCc1ccc(Cl)cc1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000575795977 823998936 /nfs/dbraw/zinc/99/89/36/823998936.db2.gz WVHKPYGAHHOQIJ-VQTJNVASSA-N 1 0 383.923 4.004 20 0 GIADRO Cc1cc(NC(=O)C[NH2+]C2CCC3(CCOCC3)CC2)ccc1Br ZINC000575797337 823999340 /nfs/dbraw/zinc/99/93/40/823999340.db2.gz HZTWDBAZIWURPM-UHFFFAOYSA-N 1 0 395.341 4.025 20 0 GIADRO CC(C)[NH+]1CCC(NC(=O)NC2(c3cccc(Br)c3)CCC2)CC1 ZINC000170882796 823999640 /nfs/dbraw/zinc/99/96/40/823999640.db2.gz MXQRGQJMHRPGII-UHFFFAOYSA-N 1 0 394.357 4.000 20 0 GIADRO CC[C@@H](CC(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccccc1 ZINC000127011955 824000637 /nfs/dbraw/zinc/00/06/37/824000637.db2.gz LENNQYHURRVZSZ-NRFANRHFSA-N 1 0 380.532 4.413 20 0 GIADRO CC(C)C[C@@H]([NH3+])c1noc(-c2cc(OCC(F)(F)F)c3ccccc3n2)n1 ZINC000575802930 824000597 /nfs/dbraw/zinc/00/05/97/824000597.db2.gz YDFUHIKEZHLURR-GFCCVEGCSA-N 1 0 380.370 4.272 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N(Cc2cccnc2)C2CC2)C1 ZINC000170890415 824001405 /nfs/dbraw/zinc/00/14/05/824001405.db2.gz PFXSINVIBLFDFH-LJQANCHMSA-N 1 0 392.547 4.188 20 0 GIADRO COc1cc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCCCC2)cc(OC)c1O ZINC000414525608 824002160 /nfs/dbraw/zinc/00/21/60/824002160.db2.gz JWGQMEBXLHNOFA-QFIPXVFZSA-N 1 0 385.504 4.183 20 0 GIADRO OCC1([C@H]([NH2+]Cc2cnnn2Cc2ccccc2)c2ccccc2)CCCCC1 ZINC000414527952 824002629 /nfs/dbraw/zinc/00/26/29/824002629.db2.gz NKJLKRYPSPQVES-HSZRJFAPSA-N 1 0 390.531 4.100 20 0 GIADRO CC(=O)NCC[N@H+](CCCc1c(Cl)cccc1Cl)C1CCSCC1 ZINC000575818358 824002956 /nfs/dbraw/zinc/00/29/56/824002956.db2.gz GNWQSSGVNPCWDG-UHFFFAOYSA-N 1 0 389.392 4.260 20 0 GIADRO Cc1[nH]c2c(cccc2C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)c1C ZINC000127029232 824003469 /nfs/dbraw/zinc/00/34/69/824003469.db2.gz SYBXXAXMLBBDPV-UHFFFAOYSA-N 1 0 391.515 4.241 20 0 GIADRO COCCNc1ccc(C[NH2+][C@@H]2CCc3c2cc(Br)cc3F)cc1 ZINC000127036067 824004768 /nfs/dbraw/zinc/00/47/68/824004768.db2.gz QAGHYQNBPPJCDO-LJQANCHMSA-N 1 0 393.300 4.424 20 0 GIADRO O=C(/C=C/c1nc2ccccc2s1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000192473789 824005044 /nfs/dbraw/zinc/00/50/44/824005044.db2.gz AIXHUFZPMZAXDB-ZHACJKMWSA-N 1 0 377.513 4.222 20 0 GIADRO C[NH+](C)[C@H]1CCCN(C(=O)c2cccc(Oc3ccc(Cl)c(Cl)c3)n2)C1 ZINC000127037355 824005206 /nfs/dbraw/zinc/00/52/06/824005206.db2.gz ZMTBKVDGPIDNOH-ZDUSSCGKSA-N 1 0 394.302 4.347 20 0 GIADRO 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399.556 4.047 20 0 GIADRO CCNC(=O)C1(C[NH2+][C@@H](c2ccc(OC)cc2Br)C(C)C)CCC1 ZINC000575840834 824009681 /nfs/dbraw/zinc/00/96/81/824009681.db2.gz CLJZKYVGNLUJGK-QGZVFWFLSA-N 1 0 397.357 4.051 20 0 GIADRO COCCNc1ccc(C[NH2+]C2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000127062834 824009907 /nfs/dbraw/zinc/00/99/07/824009907.db2.gz SNWPOYPAZDMHQB-UHFFFAOYSA-N 1 0 387.955 4.153 20 0 GIADRO Cc1cc(C[N@@H+]2CCC[C@H](N3CCCC3=O)CC2)ccc1Oc1cccnc1 ZINC000414556098 824011178 /nfs/dbraw/zinc/01/11/78/824011178.db2.gz VIDDOKXTOAROOA-FQEVSTJZSA-N 1 0 379.504 4.159 20 0 GIADRO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC000414556903 824011514 /nfs/dbraw/zinc/01/15/14/824011514.db2.gz WGOWKGRNIFZXRJ-JOCHJYFZSA-N 1 0 396.506 4.382 20 0 GIADRO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccc(Cl)cc3)s2)CC1 ZINC000414558080 824011794 /nfs/dbraw/zinc/01/17/94/824011794.db2.gz YLORDHXRJJOCLZ-QGZVFWFLSA-N 1 0 389.952 4.440 20 0 GIADRO COc1ccc(C[N@@H+]2CCC[C@H](N3CCCC3=O)CC2)cc1OCCC(C)C ZINC000414557755 824011987 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GIADRO Brc1cccc(C2([NH2+]Cc3cc4cccnc4o3)CCOCC2)c1 ZINC000575870348 824016494 /nfs/dbraw/zinc/01/64/94/824016494.db2.gz BMXQJSYSISKSSL-UHFFFAOYSA-N 1 0 387.277 4.386 20 0 GIADRO O=C(NCCCC[NH+]1CCC(Cc2ccccc2)CC1)c1scnc1C1CC1 ZINC000127104039 824017981 /nfs/dbraw/zinc/01/79/81/824017981.db2.gz UIVWPYLAAJBNDZ-UHFFFAOYSA-N 1 0 397.588 4.485 20 0 GIADRO Cc1nc(NC(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)sc1C(F)(F)F ZINC000575884550 824019614 /nfs/dbraw/zinc/01/96/14/824019614.db2.gz JIZQWESSEZASGH-GXTWGEPZSA-N 1 0 398.454 4.427 20 0 GIADRO CC(C)[C@@H]1CC[C@H]1[NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000575889788 824020939 /nfs/dbraw/zinc/02/09/39/824020939.db2.gz OAHBCQQFOAYKTA-IOMROCGXSA-N 1 0 393.499 4.482 20 0 GIADRO CCCCc1ccc([C@@H](NC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)C(C)C)cc1 ZINC000414658315 824021444 /nfs/dbraw/zinc/02/14/44/824021444.db2.gz JBZMMZOHUHDLRL-QFIPXVFZSA-N 1 0 393.531 4.084 20 0 GIADRO O=C(CC[NH2+]C1(c2ccc3c(c2)OCO3)CC1)Nc1c(Cl)cccc1Cl ZINC000575891443 824021907 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C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000127142874 824025996 /nfs/dbraw/zinc/02/59/96/824025996.db2.gz CPZMSNOMTQMUPW-ORAYPTAESA-N 1 0 379.426 4.109 20 0 GIADRO CCCOc1ccc(NC(=O)N(CCC)C2CC[NH2+]CC2)cc1OCCC ZINC000414717568 824026045 /nfs/dbraw/zinc/02/60/45/824026045.db2.gz PUXCWIVMCMSVLR-UHFFFAOYSA-N 1 0 377.529 4.260 20 0 GIADRO CCCOc1ccc(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OCCC ZINC000414718063 824026144 /nfs/dbraw/zinc/02/61/44/824026144.db2.gz QSFIRPAZVHSKEU-BYICEURKSA-N 1 0 375.513 4.011 20 0 GIADRO COc1ccc2sc(-c3nc([C@H]4C[N@@H+]5CCC[C@@]5(C)CO4)no3)c(C)c2c1 ZINC000575907098 824026108 /nfs/dbraw/zinc/02/61/08/824026108.db2.gz XIVDITMOJJZDFE-QRWLVFNGSA-N 1 0 385.489 4.194 20 0 GIADRO CCCCCN(Cc1ccc(Cl)cc1)C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000414719052 824026198 /nfs/dbraw/zinc/02/61/98/824026198.db2.gz TXOQFKJELQNPOC-UHFFFAOYSA-N 1 0 399.922 4.101 20 0 GIADRO CCCOc1ccc(NC(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1OCCC ZINC000414719254 824026667 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1 0 394.544 4.478 20 0 GIADRO CC(C)C[C@@H]([NH3+])CN1CCC[C@@H]1c1nc(-c2ccccc2Br)no1 ZINC000414734385 824030402 /nfs/dbraw/zinc/03/04/02/824030402.db2.gz DRIMIWCIKZCYTM-CZUORRHYSA-N 1 0 393.329 4.009 20 0 GIADRO C[C@H](CCC[NH3+])NC(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 ZINC000414735051 824030428 /nfs/dbraw/zinc/03/04/28/824030428.db2.gz LRGLHZRNTKCGHG-SNVBAGLBSA-N 1 0 387.336 4.290 20 0 GIADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)C1 ZINC000414736682 824030802 /nfs/dbraw/zinc/03/08/02/824030802.db2.gz YKHTURURKSYSJM-DOTOQJQBSA-N 1 0 380.517 4.136 20 0 GIADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)C1 ZINC000414742750 824031893 /nfs/dbraw/zinc/03/18/93/824031893.db2.gz UBAXQRICORSJOU-ZYHUDNBSSA-N 1 0 399.347 4.290 20 0 GIADRO C[NH2+][C@@H]1CCCN(C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)C1 ZINC000414742763 824031969 /nfs/dbraw/zinc/03/19/69/824031969.db2.gz IOBDTBQMRCQENH-CYBMUJFWSA-N 1 0 384.427 4.045 20 0 GIADRO [NH3+][C@H]1CCC[C@H](CNC(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)C1 ZINC000414742791 824031978 /nfs/dbraw/zinc/03/19/78/824031978.db2.gz UFWYUECJIQIAIG-ZFWWWQNUSA-N 1 0 378.929 4.026 20 0 GIADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 ZINC000414746470 824032315 /nfs/dbraw/zinc/03/23/15/824032315.db2.gz ZHZYDVUFDQXKRA-MNOVXSKESA-N 1 0 399.347 4.242 20 0 GIADRO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N(CC)[C@H](C)c1cc2ccccc2o1 ZINC000414759044 824033805 /nfs/dbraw/zinc/03/38/05/824033805.db2.gz WBWLIAJHZWSCSJ-MRXNPFEDSA-N 1 0 393.487 4.091 20 0 GIADRO Cc1cc2cc(CNC(=O)N3CCC[C@@H](C[N@H+]4CCCC[C@H]4C)C3)ccc2[nH]1 ZINC000575946237 824034416 /nfs/dbraw/zinc/03/44/16/824034416.db2.gz LQWGTXFAKUJEKZ-QUCCMNQESA-N 1 0 382.552 4.272 20 0 GIADRO O=C(Nc1ccccc1N1CCCCCC1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000414777410 824035426 /nfs/dbraw/zinc/03/54/26/824035426.db2.gz FGBVENFIMJHJKG-TZIWHRDSSA-N 1 0 384.568 4.453 20 0 GIADRO CCCCN(Cc1ccccc1Cl)C(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000414781099 824035448 /nfs/dbraw/zinc/03/54/48/824035448.db2.gz MQELXPJQULWVCK-HNNXBMFYSA-N 1 0 387.911 4.127 20 0 GIADRO CCCc1ccc([C@H](NC(=O)C(=O)Nc2ccc([C@H](C)[NH3+])cc2)C(C)C)cc1 ZINC000414783866 824035679 /nfs/dbraw/zinc/03/56/79/824035679.db2.gz RISRBHBMOHZSHP-HRAATJIYSA-N 1 0 381.520 4.111 20 0 GIADRO CC(C)Cc1ccc([C@@H](NC(=O)C(=O)Nc2ccc([C@H](C)[NH3+])cc2)C2CC2)cc1 ZINC000414782416 824035692 /nfs/dbraw/zinc/03/56/92/824035692.db2.gz ONLKBDPRGDQYGD-KSFYIVLOSA-N 1 0 393.531 4.111 20 0 GIADRO CCOc1c(Br)cc(Cl)cc1NC(=O)NC(C)(C)CCC[NH3+] ZINC000414782473 824035698 /nfs/dbraw/zinc/03/56/98/824035698.db2.gz XPAFTUXXFLZJOC-UHFFFAOYSA-N 1 0 392.725 4.140 20 0 GIADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)Nc2ccc(OC(F)F)c(Cc3ccccc3)c2)C1 ZINC000414789005 824036568 /nfs/dbraw/zinc/03/65/68/824036568.db2.gz OEETYXMLBRSYLN-HOCLYGCPSA-N 1 0 389.446 4.080 20 0 GIADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1 ZINC000414794391 824036993 /nfs/dbraw/zinc/03/69/93/824036993.db2.gz SXVRUBXJKQZYGH-HOCLYGCPSA-N 1 0 389.446 4.080 20 0 GIADRO Cc1ccc(NC(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)cc1Br ZINC000414797486 824037454 /nfs/dbraw/zinc/03/74/54/824037454.db2.gz YSBFJEPDIWTXJA-YOEHRIQHSA-N 1 0 380.330 4.144 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc(Br)cc1)C(=O)N1CCc2sccc2C1 ZINC000192581367 824037541 /nfs/dbraw/zinc/03/75/41/824037541.db2.gz ZZIUGLMEIUDGOR-CHWSQXEVSA-N 1 0 393.350 4.135 20 0 GIADRO COc1ccc(CNCC[NH2+]C2CCCCCC2)cc1OCc1cccnc1 ZINC000414804588 824037749 /nfs/dbraw/zinc/03/77/49/824037749.db2.gz LBNARUCMWMMEPT-UHFFFAOYSA-N 1 0 383.536 4.071 20 0 GIADRO CCCC[C@@H](CN)[NH2+][C@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414805175 824037880 /nfs/dbraw/zinc/03/78/80/824037880.db2.gz AEXVPDDYKJRYOR-YPMHNXCESA-N 1 0 379.854 4.183 20 0 GIADRO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H](C)c1ccc(SC(C)C)cc1 ZINC000414810050 824038341 /nfs/dbraw/zinc/03/83/41/824038341.db2.gz WNTOBGWEUOHWGT-MRXNPFEDSA-N 1 0 399.560 4.113 20 0 GIADRO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000414819286 824039102 /nfs/dbraw/zinc/03/91/02/824039102.db2.gz YJAPBNQOKVYDAL-FQEVSTJZSA-N 1 0 399.922 4.046 20 0 GIADRO Cc1c2ccccc2oc1[C@H](NC(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1)C(C)C ZINC000414820008 824039518 /nfs/dbraw/zinc/03/95/18/824039518.db2.gz BIAJLZFBHVOICB-MGPUTAFESA-N 1 0 393.487 4.213 20 0 GIADRO Cc1ccccc1C1(C(=O)N[C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)CC1 ZINC000171020523 824039873 /nfs/dbraw/zinc/03/98/73/824039873.db2.gz UVZBOWGPQIJLEW-OAQYLSRUSA-N 1 0 390.527 4.131 20 0 GIADRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)Nc2cccc(OC[C@H]3CCCO3)c2)cc1 ZINC000414829804 824040207 /nfs/dbraw/zinc/04/02/07/824040207.db2.gz NFWPALYWMUBYFI-FGZHOGPDSA-N 1 0 397.519 4.189 20 0 GIADRO Cc1csc2c1ncnc2NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000192594837 824040340 /nfs/dbraw/zinc/04/03/40/824040340.db2.gz HDESLCFEVHYMMF-INIZCTEOSA-N 1 0 382.533 4.312 20 0 GIADRO O=C(NCCC[NH2+]Cc1cccnc1)Nc1ccccc1SC1CCCC1 ZINC000414835010 824040346 /nfs/dbraw/zinc/04/03/46/824040346.db2.gz UNOKPZSSZIXXHL-UHFFFAOYSA-N 1 0 384.549 4.418 20 0 GIADRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)Nc2cccc(OC[C@H]3CCCO3)c2)cc1 ZINC000414829812 824040356 /nfs/dbraw/zinc/04/03/56/824040356.db2.gz NFWPALYWMUBYFI-YADHBBJMSA-N 1 0 397.519 4.189 20 0 GIADRO C[C@H]([NH3+])c1ccc(NC(=O)Nc2ccc(S(=O)(=O)C3CCCC3)cc2)cc1 ZINC000414833684 824040390 /nfs/dbraw/zinc/04/03/90/824040390.db2.gz PUBFDVCLOLTCHY-AWEZNQCLSA-N 1 0 387.505 4.067 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(COC)cc1 ZINC000192595315 824041000 /nfs/dbraw/zinc/04/10/00/824041000.db2.gz PFJJSNVAOOFSJK-NRFANRHFSA-N 1 0 381.520 4.209 20 0 GIADRO CN(C)c1ccc(NC(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)c(C(F)(F)F)c1 ZINC000414844012 824041150 /nfs/dbraw/zinc/04/11/50/824041150.db2.gz DCRWWMFVHXBFBH-QGZVFWFLSA-N 1 0 398.473 4.013 20 0 GIADRO C[C@H]1CN(C(=O)Nc2cc(C(C)(C)C)nn2-c2cccc(Cl)c2)CC[C@H]1[NH3+] ZINC000414851237 824041789 /nfs/dbraw/zinc/04/17/89/824041789.db2.gz NXJIIEVBASBEAE-XJKSGUPXSA-N 1 0 389.931 4.024 20 0 GIADRO CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@H](c2ccccc2)C2CC2)c1 ZINC000192598346 824041874 /nfs/dbraw/zinc/04/18/74/824041874.db2.gz DKEXCQBZBZIWPV-HTAPYJJXSA-N 1 0 393.531 4.237 20 0 GIADRO CC(C)C[C@@H](CN)[NH2+][C@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414854240 824042584 /nfs/dbraw/zinc/04/25/84/824042584.db2.gz USPHTXAZSIQYJN-YPMHNXCESA-N 1 0 379.854 4.039 20 0 GIADRO O=C(NCC(F)(F)c1ccc(Cl)cc1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000575976550 824042879 /nfs/dbraw/zinc/04/28/79/824042879.db2.gz NWQIPNKHRCDRKG-KBXCAEBGSA-N 1 0 397.897 4.090 20 0 GIADRO CO[C@@H]1CCN(C(=O)Nc2ccc(Sc3ccc(C)c(C)c3)cc2)[C@H](C[NH3+])C1 ZINC000414864430 824043407 /nfs/dbraw/zinc/04/34/07/824043407.db2.gz YNQBNAMAVRJRQZ-RBUKOAKNSA-N 1 0 399.560 4.425 20 0 GIADRO CCC[NH2+]CCNCc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000414870388 824043455 /nfs/dbraw/zinc/04/34/55/824043455.db2.gz MJKYZVLWCPTZEL-UHFFFAOYSA-N 1 0 380.319 4.335 20 0 GIADRO CC(C)Oc1ccc(C[NH+]2CCC(C(=O)NCCc3cccs3)CC2)cc1 ZINC000171035157 824043608 /nfs/dbraw/zinc/04/36/08/824043608.db2.gz NSIYRPRUHUWSJP-UHFFFAOYSA-N 1 0 386.561 4.106 20 0 GIADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NCc2nc(-c3ccccc3)cs2)cc1 ZINC000414876305 824043884 /nfs/dbraw/zinc/04/38/84/824043884.db2.gz DDAMTVXWOSJTHS-PMACEKPBSA-N 1 0 379.529 4.054 20 0 GIADRO FC(F)(F)COCC[N@@H+]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000171039062 824044514 /nfs/dbraw/zinc/04/45/14/824044514.db2.gz OGVAMAJZVJHGEA-ZDUSSCGKSA-N 1 0 389.805 4.148 20 0 GIADRO COc1ccc(NC(=O)N[C@H](CCC[NH3+])c2ccccc2)c(C(F)(F)F)c1 ZINC000414883471 824044972 /nfs/dbraw/zinc/04/49/72/824044972.db2.gz ALFUASGZVLBYCK-MRXNPFEDSA-N 1 0 381.398 4.316 20 0 GIADRO CCC(=O)Nc1ccc(Cl)c(NC(=O)N[C@H](CCC[NH3+])c2ccccc2)c1 ZINC000414892452 824046252 /nfs/dbraw/zinc/04/62/52/824046252.db2.gz PWIXJQVYVRXSEN-QGZVFWFLSA-N 1 0 388.899 4.290 20 0 GIADRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000414893021 824046702 /nfs/dbraw/zinc/04/67/02/824046702.db2.gz QSIFVIPDFBPIHL-RDJZCZTQSA-N 1 0 395.507 4.088 20 0 GIADRO Cc1ccc(Br)cc1NC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000414910218 824049058 /nfs/dbraw/zinc/04/90/58/824049058.db2.gz SNBOOMKGHBQYCV-YOEHRIQHSA-N 1 0 380.330 4.144 20 0 GIADRO C[C@@H]([NH3+])c1ccc(CNC(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2)cc1 ZINC000414929997 824051373 /nfs/dbraw/zinc/05/13/73/824051373.db2.gz AIKDLLCCUYVENL-IAGOWNOFSA-N 1 0 394.519 4.043 20 0 GIADRO Cc1ccc(C[NH2+]Cc2ccc3c(c2)sc(=O)n3C)c(OCC(F)(F)F)c1 ZINC000192633609 824051902 /nfs/dbraw/zinc/05/19/02/824051902.db2.gz SNNJHQCFQNORNE-UHFFFAOYSA-N 1 0 396.434 4.139 20 0 GIADRO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@@H]1CCCc2cc(N)ccc21 ZINC000414937235 824052017 /nfs/dbraw/zinc/05/20/17/824052017.db2.gz VGZUVZLRCLBWTQ-YCRPNKLZSA-N 1 0 385.939 4.326 20 0 GIADRO Cc1cccc(NC(=O)C[C@@H](C)N[C@@H](C[NH3+])c2ccc3ccccc3c2)c1C ZINC000414939857 824052344 /nfs/dbraw/zinc/05/23/44/824052344.db2.gz JXWWCEWIIQRTBV-HXOBKFHXSA-N 1 0 375.516 4.463 20 0 GIADRO [NH3+]C[C@H](NCc1ccc(OC[C@H]2CCCO2)cc1)c1ccc2ccccc2c1 ZINC000414945459 824052855 /nfs/dbraw/zinc/05/28/55/824052855.db2.gz RPZUDOJAVKGSCL-RPWUZVMVSA-N 1 0 376.500 4.187 20 0 GIADRO Cc1cc(C[NH+]2CCC(C(=O)c3ccc4c(c3)NC(=O)[C@H](C)O4)CC2)c(C)s1 ZINC000171065413 824053248 /nfs/dbraw/zinc/05/32/48/824053248.db2.gz MGXVGGPFFKGJLU-AWEZNQCLSA-N 1 0 398.528 4.179 20 0 GIADRO CCc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C(F)(F)F)s1 ZINC000192641267 824053695 /nfs/dbraw/zinc/05/36/95/824053695.db2.gz GRYBBYPEKIPOHE-UHFFFAOYSA-N 1 0 397.466 4.333 20 0 GIADRO C[C@H](c1ccccc1F)[NH+]1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1 ZINC000171065746 824053717 /nfs/dbraw/zinc/05/37/17/824053717.db2.gz QKKHWUYROBJHHO-HUUCEWRRSA-N 1 0 396.462 4.201 20 0 GIADRO O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)[C@@H]1CCCc2cccnc21 ZINC000192640527 824053756 /nfs/dbraw/zinc/05/37/56/824053756.db2.gz AHXQUIZKWMVPBA-OAQYLSRUSA-N 1 0 379.504 4.005 20 0 GIADRO COc1cc(SC)ccc1NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000192643241 824054359 /nfs/dbraw/zinc/05/43/59/824054359.db2.gz KBCUNMKTXKJVID-UHFFFAOYSA-N 1 0 385.533 4.335 20 0 GIADRO O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)N1CC[C@@H](CC(F)(F)F)C1 ZINC000576039383 824055658 /nfs/dbraw/zinc/05/56/58/824055658.db2.gz VREAUIGFRFJSQM-RBUKOAKNSA-N 1 0 397.485 4.273 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000007107261 204232312 /nfs/dbraw/zinc/23/23/12/204232312.db2.gz MLSSGTUMBGGVAX-UHFFFAOYSA-N 1 0 377.410 4.100 20 0 GIADRO O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)c1ccn(C2CCCC2)n1 ZINC000028244688 206041558 /nfs/dbraw/zinc/04/15/58/206041558.db2.gz DNPDMZIUPHQIHF-UHFFFAOYSA-N 1 0 382.508 4.115 20 0 GIADRO [NH3+]C1CC2(C1)CCN(C(F)(F)c1cnc(Cl)c(-c3cccnc3)c1)CC2 ZINC001164388070 718802131 /nfs/dbraw/zinc/80/21/31/718802131.db2.gz ROAGVZAJBHGHKN-UHFFFAOYSA-N 1 0 378.854 4.050 20 0 GIADRO Cc1ccc(C(F)(F)N2[C@@H](C(F)(F)F)CCC23CC[NH2+]CC3)nc1Cl ZINC001164414446 718880531 /nfs/dbraw/zinc/88/05/31/718880531.db2.gz UIBPHFZXSKFYMA-GFCCVEGCSA-N 1 0 383.792 4.242 20 0 GIADRO FC(F)(c1nc(Cl)c2ccccc2n1)N1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001164416635 718891463 /nfs/dbraw/zinc/89/14/63/718891463.db2.gz FGUKLPMILOSHBF-MRXNPFEDSA-N 1 0 380.870 4.187 20 0 GIADRO Fc1cccc2c(Cl)nc(C(F)(F)N3CCCCC34CC[NH2+]CC4)nc12 ZINC001164420043 718910284 /nfs/dbraw/zinc/91/02/84/718910284.db2.gz GHDPWSCHORIMAM-UHFFFAOYSA-N 1 0 384.833 4.080 20 0 GIADRO FC(F)(c1cc(-c2ccco2)nnc1Cl)N1CCCCC12CC[NH2+]CC2 ZINC001164421896 718911939 /nfs/dbraw/zinc/91/19/39/718911939.db2.gz VNKFLBGHSZWBDK-UHFFFAOYSA-N 1 0 382.842 4.047 20 0 GIADRO FC(F)(c1cnc(Cl)c(C2CC2)c1)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001164431012 718948160 /nfs/dbraw/zinc/94/81/60/718948160.db2.gz YVDZKWKKMGDKAJ-ZWKOTPCHSA-N 1 0 375.850 4.233 20 0 GIADRO CC(C)c1ccc(-c2cc(C(F)(F)N3CCC[C@H]4[NH2+]C[C@@H]43)c(Cl)nn2)cc1 ZINC001164449863 719003144 /nfs/dbraw/zinc/00/31/44/719003144.db2.gz PNQXLGBIWJZRSS-AEFFLSMTSA-N 1 0 392.881 4.406 20 0 GIADRO Fc1c(Cl)nccc1C(F)(F)N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164626942 719043872 /nfs/dbraw/zinc/04/38/72/719043872.db2.gz SIMJIXQMBCJHAC-QAPCUYQASA-N 1 0 381.829 4.003 20 0 GIADRO Cc1cc(Cl)nc(C(F)(F)N2CC[C@]3(C[NH2+]C[C@H]3c3ccccc3)C2)c1 ZINC001164621720 719046553 /nfs/dbraw/zinc/04/65/53/719046553.db2.gz JPLUAECUQKVMHW-LPHOPBHVSA-N 1 0 377.866 4.172 20 0 GIADRO FC(F)(c1ccnc(Cl)c1)N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164621304 719054251 /nfs/dbraw/zinc/05/42/51/719054251.db2.gz INZXGUUSESEJFD-AEFFLSMTSA-N 1 0 377.866 4.381 20 0 GIADRO Cc1cc(Cl)nc(C(F)(F)N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164621977 719057124 /nfs/dbraw/zinc/05/71/24/719057124.db2.gz KJTFXWJFOUTCIU-SJORKVTESA-N 1 0 392.881 4.084 20 0 GIADRO Clc1nnc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c2sccc21 ZINC001164622850 719066609 /nfs/dbraw/zinc/06/66/09/719066609.db2.gz IZRHERPUDUFEIU-DOTOQJQBSA-N 1 0 384.936 4.446 20 0 GIADRO Clc1ncnc2scc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)c21 ZINC001164626524 719072228 /nfs/dbraw/zinc/07/22/28/719072228.db2.gz OFAMUSDOILYRPV-HZPDHXFCSA-N 1 0 384.936 4.446 20 0 GIADRO Cc1nc(-c2ccccn2)nc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1C ZINC001164623546 719104907 /nfs/dbraw/zinc/10/49/07/719104907.db2.gz DLBDXODRUKZDQD-JTHBVZDNSA-N 1 0 399.542 4.256 20 0 GIADRO COc1ccc(-c2csc3ncnc(N4CC[NH+](CC(C)C)CC4)c23)cc1 ZINC000641935267 719337234 /nfs/dbraw/zinc/33/72/34/719337234.db2.gz RUASCLOFGQIAEA-UHFFFAOYSA-N 1 0 382.533 4.145 20 0 GIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ncc(F)cc2Cl)CC3)cs1 ZINC001164691982 719807012 /nfs/dbraw/zinc/80/70/12/719807012.db2.gz DHVZIJGLTSIEKQ-UHFFFAOYSA-N 1 0 380.920 4.274 20 0 GIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ccc4c(n2)CCCC4)CC3)cs1 ZINC001164692569 719807175 /nfs/dbraw/zinc/80/71/75/719807175.db2.gz JJLXZMARQMWWEF-UHFFFAOYSA-N 1 0 382.577 4.360 20 0 GIADRO COc1ccc(Cl)c(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)n1 ZINC001164692591 719809304 /nfs/dbraw/zinc/80/93/04/719809304.db2.gz KITKZFYNEZDKEV-UHFFFAOYSA-N 1 0 392.956 4.144 20 0 GIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nccc4ncsc42)CC3)cs1 ZINC001164693857 719812023 /nfs/dbraw/zinc/81/20/23/719812023.db2.gz ZAZKAHGVUJSNOV-UHFFFAOYSA-N 1 0 385.562 4.091 20 0 GIADRO CCc1cc(Cl)nc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)n1 ZINC001164703480 719815958 /nfs/dbraw/zinc/81/59/58/719815958.db2.gz VOJFLZJJNDDDIV-UHFFFAOYSA-N 1 0 391.972 4.092 20 0 GIADRO CCc1cc(CC)nc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)n1 ZINC001164700712 719816638 /nfs/dbraw/zinc/81/66/38/719816638.db2.gz LPHJVGOGAOTHOG-UHFFFAOYSA-N 1 0 385.581 4.001 20 0 GIADRO c1csc(C[N@@H+]2CCOC3(CCN(c4nccc5ccsc54)CC3)C2)c1 ZINC001164695277 719890020 /nfs/dbraw/zinc/89/00/20/719890020.db2.gz LBJOBJHZTGSMKM-UHFFFAOYSA-N 1 0 385.558 4.229 20 0 GIADRO CC(C)(C)c1ccc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc1 ZINC001164707298 719910108 /nfs/dbraw/zinc/91/01/08/719910108.db2.gz OVYRNEYWZVRZCI-UHFFFAOYSA-N 1 0 385.577 4.312 20 0 GIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc3cc(Cl)ccc3n1)C2 ZINC001164808608 720080505 /nfs/dbraw/zinc/08/05/05/720080505.db2.gz IIFFKEJIWFEENH-PGRDOPGGSA-N 1 0 385.939 4.073 20 0 GIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)cc3cccc(C)c31)C2 ZINC001164813040 720194914 /nfs/dbraw/zinc/19/49/14/720194914.db2.gz BZDZVXBGDDRUPN-XXBNENTESA-N 1 0 399.966 4.381 20 0 GIADRO Clc1ncc(-c2ccccc2)c(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164725888 720387798 /nfs/dbraw/zinc/38/77/98/720387798.db2.gz OBXITKJPVUOPQG-PMACEKPBSA-N 1 0 391.906 4.045 20 0 GIADRO CC(C)(C)c1cc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)nc(C(C)(C)C)n1 ZINC001164734769 720432168 /nfs/dbraw/zinc/43/21/68/720432168.db2.gz UHVZRFLCWAUMDS-MOPGFXCFSA-N 1 0 393.579 4.320 20 0 GIADRO COc1cc2cnc(Cl)cc2cc1N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164731647 720488799 /nfs/dbraw/zinc/48/87/99/720488799.db2.gz XEZHYXQYUNQWKS-MOPGFXCFSA-N 1 0 394.906 4.145 20 0 GIADRO Cc1cc2ccccc2nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164834434 720523265 /nfs/dbraw/zinc/52/32/65/720523265.db2.gz GJHNABNELMSXGN-QZNHQXDQSA-N 1 0 389.547 4.118 20 0 GIADRO Cc1cc2ccccc2c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164838600 720572705 /nfs/dbraw/zinc/57/27/05/720572705.db2.gz OSAYRQLUZPEILX-FUPPJEDESA-N 1 0 389.547 4.118 20 0 GIADRO Cc1ccnc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1Cl ZINC001164843843 720684888 /nfs/dbraw/zinc/68/48/88/720684888.db2.gz RJBKMVMQXOEVJP-LJQANCHMSA-N 1 0 385.939 4.303 20 0 GIADRO CC(C)Oc1cccc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164842772 720696367 /nfs/dbraw/zinc/69/63/67/720696367.db2.gz NDOAAORTSWKZJY-NRFANRHFSA-N 1 0 395.547 4.129 20 0 GIADRO Cc1cccc2c1nc(Cl)nc2N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164856158 720946796 /nfs/dbraw/zinc/94/67/96/720946796.db2.gz BUWMDOHQVVFMAC-HNNXBMFYSA-N 1 0 398.942 4.210 20 0 GIADRO CSc1cc(Cl)cnc1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001164864175 720992602 /nfs/dbraw/zinc/99/26/02/720992602.db2.gz YRYMIKOREMVRIB-CYBMUJFWSA-N 1 0 379.961 4.075 20 0 GIADRO Cc1cc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)nc(-c2cccs2)n1 ZINC001164864480 721010358 /nfs/dbraw/zinc/01/03/58/721010358.db2.gz XSXUZHPKGXTYNP-INIZCTEOSA-N 1 0 396.564 4.131 20 0 GIADRO COC(=O)c1ccnc(N2CCC3(CC2)CC[NH+](Cc2ccc(C)cc2)CC3)c1 ZINC001164759903 721041968 /nfs/dbraw/zinc/04/19/68/721041968.db2.gz AOZKDODUQOKAAY-UHFFFAOYSA-N 1 0 393.531 4.059 20 0 GIADRO CN1Cc2ccccc2CC2(CC[NH+](C(C)(C)c3ccnc(Cl)c3)CC2)C1=O ZINC001164896982 721474135 /nfs/dbraw/zinc/47/41/35/721474135.db2.gz YYMHRCWTDDICGN-UHFFFAOYSA-N 1 0 397.950 4.267 20 0 GIADRO Cc1cc2ncnc(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)c2s1 ZINC001164796334 721498801 /nfs/dbraw/zinc/49/88/01/721498801.db2.gz QGIBNLHZZNUNBV-UHFFFAOYSA-N 1 0 393.560 4.276 20 0 GIADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(C3CCC3)ncn1)CC2 ZINC001164795446 721501994 /nfs/dbraw/zinc/50/19/94/721501994.db2.gz HEEIYPFYUWIWNM-UHFFFAOYSA-N 1 0 377.536 4.020 20 0 GIADRO Cc1cc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc2[nH]ccc21 ZINC001164905469 721713708 /nfs/dbraw/zinc/71/37/08/721713708.db2.gz GKPQSKIWACPUJK-OAQYLSRUSA-N 1 0 397.473 4.004 20 0 GIADRO F[C@H](Oc1ccc(Cl)nc1)N1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001165015402 721767142 /nfs/dbraw/zinc/76/71/42/721767142.db2.gz PULPKUXNLGMJKQ-FQEVSTJZSA-N 1 0 398.825 4.374 20 0 GIADRO Cc1nc2ccsc2c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165024584 721799127 /nfs/dbraw/zinc/79/91/27/721799127.db2.gz MFRMXJNBCYIFBM-QRFRQXIXSA-N 1 0 393.560 4.132 20 0 GIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(-c4ccccc4)nn3)C[C@@H]21 ZINC001165026165 721804467 /nfs/dbraw/zinc/80/44/67/721804467.db2.gz QAIIJDAXDSVWMB-ODGPQVTHSA-N 1 0 399.542 4.276 20 0 GIADRO Cc1ccc2ncnc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c2c1 ZINC001165026339 721806214 /nfs/dbraw/zinc/80/62/14/721806214.db2.gz QSILOAVJIDCWLA-ZEYPLWLESA-N 1 0 387.531 4.070 20 0 GIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc4ccsc4cn3)C[C@H]21 ZINC001165026013 721816841 /nfs/dbraw/zinc/81/68/41/721816841.db2.gz OTUIZRXQRSOQDM-MISYRCLQSA-N 1 0 378.545 4.428 20 0 GIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nnc(Cl)c4ccoc43)C[C@@H]21 ZINC001165025962 721817822 /nfs/dbraw/zinc/81/78/22/721817822.db2.gz OMXPJVJLFCONPA-JCGIZDLHSA-N 1 0 397.910 4.008 20 0 GIADRO Cc1cc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc2[nH]ccc21 ZINC001165028291 721818156 /nfs/dbraw/zinc/81/81/56/721818156.db2.gz XHBACILAOADBKU-IOMROCGXSA-N 1 0 375.520 4.003 20 0 GIADRO Cc1cc2ncnc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c2s1 ZINC001165024888 721820853 /nfs/dbraw/zinc/82/08/53/721820853.db2.gz KUICLRLRPXKJAW-QRFRQXIXSA-N 1 0 393.560 4.132 20 0 GIADRO CCCSc1cncc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165027068 721826325 /nfs/dbraw/zinc/82/63/25/721826325.db2.gz RPYJVRTVRDBARQ-IHPCNDPISA-N 1 0 397.592 4.111 20 0 GIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(Cl)ccc2C)CC1 ZINC001165018278 721837909 /nfs/dbraw/zinc/83/79/09/721837909.db2.gz VUAFWMYQJSIDSX-UHFFFAOYSA-N 1 0 389.927 4.161 20 0 GIADRO Cc1sc2nc(-c3cccnc3)nc(N3CC[NH+](C4CCCC4)CC3)c2c1C ZINC001165031590 721860087 /nfs/dbraw/zinc/86/00/87/721860087.db2.gz DDNSILUBMZNJPQ-UHFFFAOYSA-N 1 0 393.560 4.435 20 0 GIADRO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CC[NH+](C4CCCC4)CC3)c12 ZINC001165032668 721860169 /nfs/dbraw/zinc/86/01/69/721860169.db2.gz YOEINUZUDPBHTK-UHFFFAOYSA-N 1 0 389.547 4.161 20 0 GIADRO C[NH+](C)[C@@H]1CCCN(C(F)(F)c2ccc(OCc3ccc(Cl)nc3)cc2)C1 ZINC001165034635 721897603 /nfs/dbraw/zinc/89/76/03/721897603.db2.gz GOLMXIGALOYIAC-QGZVFWFLSA-N 1 0 395.881 4.389 20 0 GIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nccc5occc54)CC3)C2)cc1 ZINC001164938549 721920476 /nfs/dbraw/zinc/92/04/76/721920476.db2.gz PUHVOWFAJCQAGK-UHFFFAOYSA-N 1 0 377.488 4.008 20 0 GIADRO C[NH+](C)CC1CCN(C(F)(F)c2ccc3nc(Cl)c(Cl)nc3c2)CC1 ZINC001165041745 721945736 /nfs/dbraw/zinc/94/57/36/721945736.db2.gz JVJDSPCDSGFZDO-UHFFFAOYSA-N 1 0 389.277 4.260 20 0 GIADRO FC(F)(c1nc(Cl)cc(Cl)n1)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001165046818 721965907 /nfs/dbraw/zinc/96/59/07/721965907.db2.gz PDWBQUHOOIVDDB-LBPRGKRZSA-N 1 0 379.282 4.173 20 0 GIADRO c1cnc(N2CCCC[C@@H]2CC[NH+]2CCCC2)c(C2SCCCS2)n1 ZINC001165046546 721968433 /nfs/dbraw/zinc/96/84/33/721968433.db2.gz GWAYJNBDXCDKLT-MRXNPFEDSA-N 1 0 378.611 4.190 20 0 GIADRO c1[nH]c2ccccc2c1-c1ccnc(N2CCCC[C@H]2CC[NH+]2CCCC2)n1 ZINC001165050064 721969676 /nfs/dbraw/zinc/96/96/76/721969676.db2.gz ZKNRDGCFBURGQA-SFHVURJKSA-N 1 0 375.520 4.470 20 0 GIADRO c1[nH]c2ccccc2c1-c1ccnc(N2CCCC[C@@H]2CC[NH+]2CCCC2)n1 ZINC001165050063 721969689 /nfs/dbraw/zinc/96/96/89/721969689.db2.gz ZKNRDGCFBURGQA-GOSISDBHSA-N 1 0 375.520 4.470 20 0 GIADRO FC(F)(c1cc(C2CC2)nnc1Cl)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001165048614 721975738 /nfs/dbraw/zinc/97/57/38/721975738.db2.gz JVESGKUHWIGRDI-HNNXBMFYSA-N 1 0 384.902 4.397 20 0 GIADRO COc1ccc(Oc2cc(N3CCCC[C@@H]3CC[NH+]3CCCC3)nc(C)n2)cc1 ZINC001165050565 721978232 /nfs/dbraw/zinc/97/82/32/721978232.db2.gz VHXLNKLWNDVUON-LJQANCHMSA-N 1 0 396.535 4.431 20 0 GIADRO C[N@H+](Cc1ccc(N2CCC[C@@]3(C[C@@H](OCC4CCCC4)CO3)C2)nc1)C1CC1 ZINC001164976079 722165804 /nfs/dbraw/zinc/16/58/04/722165804.db2.gz JOIRGHCJOLLRRT-ISKFKSNPSA-N 1 0 399.579 4.011 20 0 GIADRO COc1cc(Cl)cnc1N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164994539 722193601 /nfs/dbraw/zinc/19/36/01/722193601.db2.gz NUHSYAQMGHQPBO-HXUWFJFHSA-N 1 0 375.875 4.128 20 0 GIADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2cnc(-c4ccco4)cn2)C3)c1 ZINC001164993665 722197983 /nfs/dbraw/zinc/19/79/83/722197983.db2.gz GZVKVBLVTQKKSE-JOCHJYFZSA-N 1 0 378.451 4.121 20 0 GIADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2ncnc4c(F)cccc42)C3)c1 ZINC001164993271 722198276 /nfs/dbraw/zinc/19/82/76/722198276.db2.gz DYFYQSXHWKIYBW-JOCHJYFZSA-N 1 0 380.442 4.153 20 0 GIADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2ccc4ncc(F)cc4n2)C3)c1 ZINC001164994519 722206573 /nfs/dbraw/zinc/20/65/73/722206573.db2.gz IFUWZRDOVHIXIZ-QFIPXVFZSA-N 1 0 380.442 4.153 20 0 GIADRO Cc1csc2cnc(N3CCC[C@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)nc12 ZINC001164993810 722206795 /nfs/dbraw/zinc/20/67/95/722206795.db2.gz BUMPGSAKZVLUQU-NRFANRHFSA-N 1 0 382.508 4.384 20 0 GIADRO CCCSc1cncc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164995640 722209826 /nfs/dbraw/zinc/20/98/26/722209826.db2.gz OTAVDKZJHVJDFS-NRFANRHFSA-N 1 0 386.540 4.363 20 0 GIADRO Cc1cc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc(-c2ccco2)n1 ZINC001164994050 722210040 /nfs/dbraw/zinc/21/00/40/722210040.db2.gz DXQOFTUIYLZQFD-QHCPKHFHSA-N 1 0 392.478 4.429 20 0 GIADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2ccc(-c4ccco4)nn2)C3)c1 ZINC001164994066 722210268 /nfs/dbraw/zinc/21/02/68/722210268.db2.gz FFRWTUPIFXECCO-QFIPXVFZSA-N 1 0 378.451 4.121 20 0 GIADRO COc1ccc(-c2ccc(CNC(=O)N3CC[C@]4(C3)CCC[N@H+](C)C4)s2)cc1 ZINC000458476311 823045234 /nfs/dbraw/zinc/04/52/34/823045234.db2.gz AMKZNOMFZNZXNO-JOCHJYFZSA-N 1 0 399.560 4.051 20 0 GIADRO COc1cccc([C@H](C)[NH+]2CCC(OCCCNC(=O)OC(C)(C)C)CC2)c1 ZINC000175811824 823045831 /nfs/dbraw/zinc/04/58/31/823045831.db2.gz ADGIIVJDEGHPHQ-KRWDZBQOSA-N 1 0 392.540 4.152 20 0 GIADRO C[C@H](NC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)C(C)(C)C[NH+](C)C ZINC000175811676 823045943 /nfs/dbraw/zinc/04/59/43/823045943.db2.gz RMURHWSGTOHJFW-INIZCTEOSA-N 1 0 382.508 4.037 20 0 GIADRO CCS[C@@H]1CCCC[C@H]1NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458489054 823046824 /nfs/dbraw/zinc/04/68/24/823046824.db2.gz HZYULQWHNQUUJQ-HZPDHXFCSA-N 1 0 395.535 4.109 20 0 GIADRO O=S(=O)(CC[NH2+]CC1(c2ccc(F)cc2)CCCCC1)c1ccccc1 ZINC000570498927 823046917 /nfs/dbraw/zinc/04/69/17/823046917.db2.gz KDIZLNKZLRGYDR-UHFFFAOYSA-N 1 0 375.509 4.091 20 0 GIADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)N[C@H](c3ccccc3)c3ccc(Cl)cc3)C[C@H]21 ZINC000570500976 823046992 /nfs/dbraw/zinc/04/69/92/823046992.db2.gz ABYWOHHCSOPPBB-CWJKEVGVSA-N 1 0 383.923 4.198 20 0 GIADRO COc1cccc(OCCC[NH2+][C@H](C)c2ncc(Br)cc2F)c1 ZINC000187349582 823047531 /nfs/dbraw/zinc/04/75/31/823047531.db2.gz IQPDBKXDLSKOCE-GFCCVEGCSA-N 1 0 383.261 4.112 20 0 GIADRO CCCC[NH+]1CCC(NC(=O)Nc2ccc3oc(C(F)(F)F)nc3c2)CC1 ZINC000175819835 823047642 /nfs/dbraw/zinc/04/76/42/823047642.db2.gz UXGDHYZUXSYXPN-UHFFFAOYSA-N 1 0 384.402 4.233 20 0 GIADRO O[C@H](C[NH2+][C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)COc1ccc2ccccc2c1 ZINC000570509865 823048183 /nfs/dbraw/zinc/04/81/83/823048183.db2.gz IWPGXRIDLSGLQR-CQOQZXRMSA-N 1 0 395.474 4.229 20 0 GIADRO CC(C)CC(=O)Nc1ccc(NC(=O)c2ccccc2CC2CC[NH2+]CC2)cc1 ZINC000570515271 823048468 /nfs/dbraw/zinc/04/84/68/823048468.db2.gz LQAFHTFAQMJQKC-UHFFFAOYSA-N 1 0 393.531 4.466 20 0 GIADRO Cc1csc([C@H](NC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)C2CC2)n1 ZINC000175824679 823048516 /nfs/dbraw/zinc/04/85/16/823048516.db2.gz DGFTWWVUMSQRHA-FXAWDEMLSA-N 1 0 398.576 4.209 20 0 GIADRO Cc1cc([C@@H](C)NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)ccc1F ZINC000458509171 823048869 /nfs/dbraw/zinc/04/88/69/823048869.db2.gz LDOUCYRHDDFVGR-CQSZACIVSA-N 1 0 389.437 4.253 20 0 GIADRO COc1ccc(-c2ccncc2)cc1CN[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000187356922 823048892 /nfs/dbraw/zinc/04/88/92/823048892.db2.gz GSTVWWGNAIZDLL-GHTZIAJQSA-N 1 0 379.548 4.500 20 0 GIADRO C[C@@H]1CCN(C(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)C[C@H]1C[NH3+] ZINC000570519554 823049023 /nfs/dbraw/zinc/04/90/23/823049023.db2.gz HRVZILJBISXDRW-VXGBXAGGSA-N 1 0 398.359 4.103 20 0 GIADRO Cc1cc(Br)cc([C@@H](C)[NH2+]Cc2ccc([S@](C)=O)cc2)c1O ZINC000187362208 823049573 /nfs/dbraw/zinc/04/95/73/823049573.db2.gz VVADJOQKDOHIDO-IPQOISQHSA-N 1 0 382.323 4.051 20 0 GIADRO C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458526673 823051166 /nfs/dbraw/zinc/05/11/66/823051166.db2.gz WJEVTZWABXKDLT-HOCLYGCPSA-N 1 0 377.495 4.259 20 0 GIADRO CC(C)(C)OC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)C1 ZINC000175836854 823051599 /nfs/dbraw/zinc/05/15/99/823051599.db2.gz OGUZLVPGAAEEEU-KURKYZTESA-N 1 0 394.581 4.283 20 0 GIADRO NC(=O)[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]Cc1cc2ccccc2s1 ZINC000570547331 823052319 /nfs/dbraw/zinc/05/23/19/823052319.db2.gz YTAVAKOMCORCCX-MRXNPFEDSA-N 1 0 378.419 4.106 20 0 GIADRO O=C(c1ccccc1C(F)(F)F)N1CCC([NH2+]Cc2ccc(F)c(F)c2)CC1 ZINC000187379608 823052845 /nfs/dbraw/zinc/05/28/45/823052845.db2.gz UQUGFUCZOVDMQX-UHFFFAOYSA-N 1 0 398.375 4.378 20 0 GIADRO CCC(CC)(C[NH2+]CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)C(=O)OC ZINC000120732376 823054268 /nfs/dbraw/zinc/05/42/68/823054268.db2.gz CBZPZGZOBJYQMI-UHFFFAOYSA-N 1 0 395.714 4.154 20 0 GIADRO Cc1nc(C)c(C[NH2+]C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)s1 ZINC000187381814 823053371 /nfs/dbraw/zinc/05/33/71/823053371.db2.gz CXCITNIKJDWWFC-UHFFFAOYSA-N 1 0 397.466 4.173 20 0 GIADRO COc1cccc(SCC(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)c1 ZINC000570557599 823054380 /nfs/dbraw/zinc/05/43/80/823054380.db2.gz QQUSWYLUOZSJMB-UHFFFAOYSA-N 1 0 394.924 4.020 20 0 GIADRO CC(C)(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000570563764 823055428 /nfs/dbraw/zinc/05/54/28/823055428.db2.gz YUZKUTIDXHDAPX-MRXNPFEDSA-N 1 0 391.437 4.124 20 0 GIADRO Cc1cc2c(cc1C)[C@H]([NH2+]C[C@@H]1CC(=O)N(Cc3ccccc3)C1)CCS2 ZINC000187404676 823056986 /nfs/dbraw/zinc/05/69/86/823056986.db2.gz RSUPEPJGIOEVOL-PZJWPPBQSA-N 1 0 380.557 4.479 20 0 GIADRO C[NH+](C)CCc1ccc(C(=O)N2CCC(=Cc3ccc(F)c(F)c3)CC2)cc1 ZINC000570582546 823057327 /nfs/dbraw/zinc/05/73/27/823057327.db2.gz ZLDNJAJOJIQNAL-UHFFFAOYSA-N 1 0 384.470 4.389 20 0 GIADRO CCO[C@H]1C[C@]([NH3+])(C(=O)Nc2ccc(Sc3nc(C)cs3)cc2)C1(C)C ZINC000187408422 823057457 /nfs/dbraw/zinc/05/74/57/823057457.db2.gz AAGRRTFHXBGRBB-KXBFYZLASA-N 1 0 391.562 4.074 20 0 GIADRO CC(C)Oc1ccc(-c2nc(C(=O)N(C)[C@H]3CC[N@H+](C)C[C@H]3C)cs2)cc1 ZINC000120755757 823057821 /nfs/dbraw/zinc/05/78/21/823057821.db2.gz UQOHPJNADYPYKX-BEFAXECRSA-N 1 0 387.549 4.010 20 0 GIADRO COCc1cc([C@@H](C)[NH2+]C[C@@H](c2c(F)cccc2F)N(C)C)ccc1OC ZINC000120756359 823058079 /nfs/dbraw/zinc/05/80/79/823058079.db2.gz WXZXXFAOQNIXOT-KUHUBIRLSA-N 1 0 378.463 4.073 20 0 GIADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C2(Cc3ccc(F)cc3)CC2)c1 ZINC000570596998 823059429 /nfs/dbraw/zinc/05/94/29/823059429.db2.gz MLVHJAAJHXGNOE-UHFFFAOYSA-N 1 0 397.494 4.067 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(Sc2ccc(F)cc2)cc1)C1CCS(=O)(=O)CC1 ZINC000187418890 823059632 /nfs/dbraw/zinc/05/96/32/823059632.db2.gz QFLZRFMFPXMPFS-HNNXBMFYSA-N 1 0 393.549 4.280 20 0 GIADRO CC[C@@H](NC(=O)NC[C@H](c1ccc(SC)cc1)[NH+](C)C)c1c(C)noc1C ZINC000458586722 823059899 /nfs/dbraw/zinc/05/98/99/823059899.db2.gz JLAXGPORJROPSN-QZTJIDSGSA-N 1 0 390.553 4.067 20 0 GIADRO 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 823060194 /nfs/dbraw/zinc/06/01/94/823060194.db2.gz XBUPRNBBMQWLSP-VVLHAWIVSA-N 1 0 377.495 4.115 20 0 GIADRO C[C@H](c1ccccc1C(F)(F)F)[C@H](C)NC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000458610044 823063251 /nfs/dbraw/zinc/06/32/51/823063251.db2.gz LWXWLICNZMOVFC-FTRWYGJKSA-N 1 0 397.485 4.325 20 0 GIADRO CC(C)Oc1ccc2ccccc2c1CNC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000570618150 823063233 /nfs/dbraw/zinc/06/32/33/823063233.db2.gz WJHUDPQETHQOGV-VQTJNVASSA-N 1 0 395.547 4.158 20 0 GIADRO COC(=O)COc1c(C)cc(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)cc1C ZINC000120772978 823061155 /nfs/dbraw/zinc/06/11/55/823061155.db2.gz WUGJLWUFFWTUTI-SIKLNZKXSA-N 1 0 397.515 4.113 20 0 GIADRO C[NH+](C)Cc1c2ccccc2oc1C(=O)N[C@H]1CCCN(c2ccccc2F)C1 ZINC000120776087 823061555 /nfs/dbraw/zinc/06/15/55/823061555.db2.gz ROPHWJXENLIZOJ-INIZCTEOSA-N 1 0 395.478 4.032 20 0 GIADRO C[NH+](C)Cc1c2ccccc2oc1C(=O)N[C@@H]1CCCN(c2ccccc2F)C1 ZINC000120775955 823061630 /nfs/dbraw/zinc/06/16/30/823061630.db2.gz ROPHWJXENLIZOJ-MRXNPFEDSA-N 1 0 395.478 4.032 20 0 GIADRO C[C@H]1C[C@@H](CCNC(=O)N2CC(C)(CC(F)(F)F)C2)C[N@@H+]1Cc1ccccc1 ZINC000458606958 823062904 /nfs/dbraw/zinc/06/29/04/823062904.db2.gz WZBCXAXDFIXKLM-FUHWJXTLSA-N 1 0 397.485 4.271 20 0 GIADRO [NH3+][C@H]1CCc2ncc(NC(=O)N3CCCC[C@@H]3c3ccc(Cl)cc3)cc2C1 ZINC000570616785 823062875 /nfs/dbraw/zinc/06/28/75/823062875.db2.gz KDCBEMRFMLYUAH-FXAWDEMLSA-N 1 0 384.911 4.310 20 0 GIADRO Cc1cc(N2CCC[C@H](c3nnc4n3CCCCC4)C2)c2cc(F)ccc2[nH+]1 ZINC000120785273 823063756 /nfs/dbraw/zinc/06/37/56/823063756.db2.gz PEWIZCFQKBMFDA-INIZCTEOSA-N 1 0 379.483 4.384 20 0 GIADRO O=C(CC[N@H+](Cc1ccco1)Cc1cccs1)N1CCc2sccc2C1 ZINC000055899521 823063816 /nfs/dbraw/zinc/06/38/16/823063816.db2.gz CGAQQGMSIKIYEB-UHFFFAOYSA-N 1 0 386.542 4.380 20 0 GIADRO C[N@H+](CCC(=O)N1CCc2sccc2C1)Cc1ccccc1OC(F)(F)F ZINC000055901105 823063895 /nfs/dbraw/zinc/06/38/95/823063895.db2.gz KYUHYJSZQBKJPU-UHFFFAOYSA-N 1 0 398.450 4.054 20 0 GIADRO CCC(=O)Nc1cccc(C[NH2+]CCC(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000570625681 823063984 /nfs/dbraw/zinc/06/39/84/823063984.db2.gz GPEYHNUQOQZDAF-UHFFFAOYSA-N 1 0 393.409 4.172 20 0 GIADRO C[C@H](OC[C@@H](O)C[NH2+]Cc1nc(C(C)(C)C)cs1)c1ccc(Cl)cc1 ZINC000570625740 823064048 /nfs/dbraw/zinc/06/40/48/823064048.db2.gz IZEKITRIKMGXOG-BBRMVZONSA-N 1 0 382.957 4.322 20 0 GIADRO CCc1cccc(Oc2ccc(NC(=O)[C@H]([NH2+]C3CCOCC3)C(C)C)cn2)c1 ZINC000175901644 823067720 /nfs/dbraw/zinc/06/77/20/823067720.db2.gz FTHUAMGFZJIBSO-JOCHJYFZSA-N 1 0 397.519 4.168 20 0 GIADRO C[C@H](NC(=O)N[C@H]1CCCC[C@H]1CC(F)(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000458622350 823064972 /nfs/dbraw/zinc/06/49/72/823064972.db2.gz BGJNVCPGKKCPOT-CUSZFKRNSA-N 1 0 389.506 4.450 20 0 GIADRO 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 823065154 /nfs/dbraw/zinc/06/51/54/823065154.db2.gz BJZDMAFIYTUPEI-SIRPWMCASA-N 1 0 389.506 4.400 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)[C@@H](C)c3nc(-c4cccnc4)no3)C2)s1 ZINC000570635695 823065200 /nfs/dbraw/zinc/06/52/00/823065200.db2.gz SHDGXARNBHKFLC-IRXDYDNUSA-N 1 0 397.548 4.016 20 0 GIADRO Cc1occc1CN(C)C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000187450500 823065956 /nfs/dbraw/zinc/06/59/56/823065956.db2.gz ANXVBJNMBWYWHD-KRWDZBQOSA-N 1 0 383.414 4.051 20 0 GIADRO Cc1nc(C(C)C)ccc1C(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000570649553 823066707 /nfs/dbraw/zinc/06/67/07/823066707.db2.gz NDUFBGIECXHQQV-NRFANRHFSA-N 1 0 393.531 4.231 20 0 GIADRO C[C@H](NC(=O)N[C@H]1CCc2cc(F)c(F)c(F)c21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000458638196 823068033 /nfs/dbraw/zinc/06/80/33/823068033.db2.gz SYCFWHDNIDQVBA-JDFRZJQESA-N 1 0 395.469 4.043 20 0 GIADRO C[C@H](NC(=O)N[C@@H]1CCc2cc(F)c(F)c(F)c21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000458638195 823068067 /nfs/dbraw/zinc/06/80/67/823068067.db2.gz SYCFWHDNIDQVBA-DXCKQFNASA-N 1 0 395.469 4.043 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H]2C[C@H]2c2cccc(O)c2)cc1 ZINC000570661041 823068290 /nfs/dbraw/zinc/06/82/90/823068290.db2.gz UORNSSLHVGUBQT-MQNAVGNWSA-N 1 0 378.516 4.187 20 0 GIADRO C[C@@H](CNC(=O)c1ccccc1SCc1cscn1)[NH+]1CCCCC1 ZINC000055934666 823068311 /nfs/dbraw/zinc/06/83/11/823068311.db2.gz JMVUHYLUYNGVBH-HNNXBMFYSA-N 1 0 375.563 4.040 20 0 GIADRO CC(C)(C)CC[NH+]1CCN(CCC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000055934000 823068402 /nfs/dbraw/zinc/06/84/02/823068402.db2.gz SBIZZMQDYBXBAU-UHFFFAOYSA-N 1 0 386.367 4.376 20 0 GIADRO C[C@H](N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000120808160 823068419 /nfs/dbraw/zinc/06/84/19/823068419.db2.gz BIQJCIHWTQRCJO-MBSDFSHPSA-N 1 0 392.547 4.458 20 0 GIADRO C[C@@H](c1cccnc1)N(C)C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000187466692 823068722 /nfs/dbraw/zinc/06/87/22/823068722.db2.gz GJFOCUQJDSJHHU-KSSFIOAISA-N 1 0 394.441 4.106 20 0 GIADRO CCC(CC)c1cc(CNC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)on1 ZINC000175905371 823068756 /nfs/dbraw/zinc/06/87/56/823068756.db2.gz NIYLNDXFXQDLCQ-SFHVURJKSA-N 1 0 390.572 4.232 20 0 GIADRO CCC(CC)c1cc(CNC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)on1 ZINC000175907557 823069405 /nfs/dbraw/zinc/06/94/05/823069405.db2.gz WIMGJJVVTJEWCA-ROUUACIJSA-N 1 0 390.572 4.374 20 0 GIADRO Cc1cnc([C@@H]([NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)C2CC2)s1 ZINC000120813997 823069441 /nfs/dbraw/zinc/06/94/41/823069441.db2.gz QOLRTWATNADGAJ-SFHVURJKSA-N 1 0 389.952 4.450 20 0 GIADRO Cc1cc(CNC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)ccc1Cl ZINC000458648876 823069683 /nfs/dbraw/zinc/06/96/83/823069683.db2.gz GIZGOOBWIBIXSL-UHFFFAOYSA-N 1 0 391.865 4.207 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)NC[C@H](c1ccccc1)C(F)(F)F ZINC000458652282 823069931 /nfs/dbraw/zinc/06/99/31/823069931.db2.gz CDBVZFSKAVXEQS-QGZVFWFLSA-N 1 0 399.482 4.167 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)NCCC1CC(F)(F)C1)c1cccc(C(F)(F)F)c1 ZINC000458653627 823070133 /nfs/dbraw/zinc/07/01/33/823070133.db2.gz RRKIGQGTPKKHJO-HNNXBMFYSA-N 1 0 393.400 4.043 20 0 GIADRO C[C@H](NC(=O)NC1CCC(C(F)F)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000458669611 823072322 /nfs/dbraw/zinc/07/23/22/823072322.db2.gz IAHMCJHACBQHEF-BARLLCKDSA-N 1 0 379.495 4.020 20 0 GIADRO C[C@@H](C(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1)C1CCOCC1 ZINC000570684207 823071589 /nfs/dbraw/zinc/07/15/89/823071589.db2.gz ABAOKRJIXULKNT-QGZVFWFLSA-N 1 0 376.566 4.266 20 0 GIADRO COc1cc([C@H](C)N[C@@H](C[NH+]2CCCC2)c2ccccc2)cc(OC)c1OC ZINC000120828236 823072601 /nfs/dbraw/zinc/07/26/01/823072601.db2.gz JZABCVUDFWDOQS-PXNSSMCTSA-N 1 0 384.520 4.200 20 0 GIADRO Clc1cccc(N2CCOCC2)c1C[NH2+]CCCc1c[nH]c2ccccc12 ZINC000570692843 823072952 /nfs/dbraw/zinc/07/29/52/823072952.db2.gz YIOPDIWZNJODOF-UHFFFAOYSA-N 1 0 383.923 4.380 20 0 GIADRO CC(C)(O)c1ccc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)cc1 ZINC000187503005 823076823 /nfs/dbraw/zinc/07/68/23/823076823.db2.gz PINSCVZACCMDMJ-UHFFFAOYSA-N 1 0 398.510 4.452 20 0 GIADRO Cc1cnc([C@H]([NH2+]C[C@H](O)c2ccc(F)c(Br)c2)C2CC2)s1 ZINC000187488640 823073618 /nfs/dbraw/zinc/07/36/18/823073618.db2.gz WNSPCOLCLPWFNB-LSDHHAIUSA-N 1 0 385.302 4.127 20 0 GIADRO CC[C@H](C[C@H](C)CO)[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000570703237 823073822 /nfs/dbraw/zinc/07/38/22/823073822.db2.gz OUOCFBVUZVKBRI-IINYFYTJSA-N 1 0 379.136 4.098 20 0 GIADRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)CCc1ccc(F)cc1F ZINC000120841108 823074834 /nfs/dbraw/zinc/07/48/34/823074834.db2.gz RHQUKPHXFCOXQR-UHFFFAOYSA-N 1 0 390.499 4.393 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)NCC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000458696064 823075195 /nfs/dbraw/zinc/07/51/95/823075195.db2.gz TXQXDAMWGZTRBR-UHFFFAOYSA-N 1 0 385.474 4.157 20 0 GIADRO Cc1noc(-c2ccccc2)c1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000570719242 823075421 /nfs/dbraw/zinc/07/54/21/823075421.db2.gz LZIGSDUVLVORMD-XLIONFOSSA-N 1 0 390.487 4.435 20 0 GIADRO C[N@H+](CCNC(=O)c1cc(C(F)(F)F)ccc1Br)C1CCCC1 ZINC000120846424 823075734 /nfs/dbraw/zinc/07/57/34/823075734.db2.gz LYXIYQPYKHOVKL-UHFFFAOYSA-N 1 0 393.247 4.072 20 0 GIADRO C[C@H](N[C@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(-n2cncn2)cc1Cl ZINC000120852079 823076680 /nfs/dbraw/zinc/07/66/80/823076680.db2.gz ARBCJSPDQDOJQW-HTAPYJJXSA-N 1 0 395.938 4.408 20 0 GIADRO COc1cc(C[NH2+]Cc2ccc(C(C)(C)O)cc2)ccc1OCc1ccncc1 ZINC000187508768 823077653 /nfs/dbraw/zinc/07/76/53/823077653.db2.gz AURVFROPJLPRCZ-UHFFFAOYSA-N 1 0 392.499 4.186 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1cc(C)nc(N2CCCC2)c1)CC3 ZINC000570733470 823078028 /nfs/dbraw/zinc/07/80/28/823078028.db2.gz NJJZWIGPRPQUTO-SFHVURJKSA-N 1 0 390.531 4.127 20 0 GIADRO C=Cn1cc(C[NH2+]C[C@H]2CCCN(C)[C@@H]2c2ccc(C(F)(F)F)cc2)cn1 ZINC000570734153 823078315 /nfs/dbraw/zinc/07/83/15/823078315.db2.gz PNBZDNXWVUUYFL-IEBWSBKVSA-N 1 0 378.442 4.175 20 0 GIADRO c1ccc(CCCO[C@H]2CC[N@H+](CCc3nc(-c4ccccc4)no3)C2)cc1 ZINC000175955158 823081712 /nfs/dbraw/zinc/08/17/12/823081712.db2.gz WGNDVSHZEVFIQH-NRFANRHFSA-N 1 0 377.488 4.003 20 0 GIADRO COc1sc(C[NH2+]C[C@@H](c2ccco2)N2CCCC2)cc1Br ZINC000120872681 823080354 /nfs/dbraw/zinc/08/03/54/823080354.db2.gz GEXHZARFRYWIEE-AWEZNQCLSA-N 1 0 385.327 4.039 20 0 GIADRO O=C1Nc2ccccc2C12CCC([NH2+][C@H](CN1CCCC1)c1ccccc1)CC2 ZINC000120875919 823080613 /nfs/dbraw/zinc/08/06/13/823080613.db2.gz LKMRRBAMDNQLAC-JKJRPBHFSA-N 1 0 389.543 4.246 20 0 GIADRO Cc1cc(C)c(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1Br ZINC000187528355 823082275 /nfs/dbraw/zinc/08/22/75/823082275.db2.gz AMCVBTKASZGFLM-RHSMWYFYSA-N 1 0 380.330 4.014 20 0 GIADRO O=[N+]([O-])c1ccc(CNc2cccc(C[NH+]3CCC(CO)CC3)c2)cc1Cl ZINC000187531510 823082919 /nfs/dbraw/zinc/08/29/19/823082919.db2.gz MYPNVDLCJAQMHC-UHFFFAOYSA-N 1 0 389.883 4.065 20 0 GIADRO CCC[C@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)NC)cc1)c1ccc(F)cc1F ZINC000120894611 823083386 /nfs/dbraw/zinc/08/33/86/823083386.db2.gz ZQRSGTWLYCRMCM-YJYMSZOUSA-N 1 0 382.476 4.065 20 0 GIADRO c1cc(-c2n[nH]cc2CN2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cs1 ZINC000570766963 823083740 /nfs/dbraw/zinc/08/37/40/823083740.db2.gz DPPZSQACVSAOQJ-NQIIRXRSSA-N 1 0 378.545 4.092 20 0 GIADRO 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 ZINC000458784276 823085061 /nfs/dbraw/zinc/08/50/61/823085061.db2.gz XLQYCPCKHKLRBQ-PRXSRLESSA-N 1 0 375.944 4.304 20 0 GIADRO CCCOc1c(C[NH+]2CCC(c3nnc4ccccn43)CC2)cccc1OCC ZINC000120912126 823085733 /nfs/dbraw/zinc/08/57/33/823085733.db2.gz SNTAXGMTBLQJJW-UHFFFAOYSA-N 1 0 394.519 4.296 20 0 GIADRO CC[C@@]1(CO)CCC[N@H+](Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000187546969 823086481 /nfs/dbraw/zinc/08/64/81/823086481.db2.gz SGNBUEMLOOWXBM-GOSISDBHSA-N 1 0 379.298 4.089 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(OC)cc1C ZINC000175978156 823087119 /nfs/dbraw/zinc/08/71/19/823087119.db2.gz SOJHWHLPWXDNOE-FQEVSTJZSA-N 1 0 381.520 4.380 20 0 GIADRO CCOCc1cccc(NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)c1 ZINC000175977768 823087251 /nfs/dbraw/zinc/08/72/51/823087251.db2.gz NRRUDDOSBTXLKX-UHFFFAOYSA-N 1 0 381.520 4.351 20 0 GIADRO C[C@H](C[C@@H](O)c1ccco1)[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000120921370 823087308 /nfs/dbraw/zinc/08/73/08/823087308.db2.gz QOCQENMUUDIKEQ-DAXOMENPSA-N 1 0 380.282 4.358 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)N[C@H]2CCc3cc(F)ccc32)CC1 ZINC000175979376 823087652 /nfs/dbraw/zinc/08/76/52/823087652.db2.gz IYGNZFDKLWTTIU-QFIPXVFZSA-N 1 0 381.495 4.119 20 0 GIADRO Cc1cccc(C)c1NC(=O)CCC[N@@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000120926435 823087829 /nfs/dbraw/zinc/08/78/29/823087829.db2.gz YTEQAFZWZABKAM-UHFFFAOYSA-N 1 0 397.538 4.369 20 0 GIADRO Cc1nc(CCCC(=O)Nc2ccc(C[NH+]3CCSCC3)cc2C)cs1 ZINC000175982910 823088377 /nfs/dbraw/zinc/08/83/77/823088377.db2.gz SVHSAGYPHYBYSR-UHFFFAOYSA-N 1 0 389.590 4.270 20 0 GIADRO CSc1ccc(CNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)cc1 ZINC000175984651 823088694 /nfs/dbraw/zinc/08/86/94/823088694.db2.gz XAPFFMGNLQUMFP-UHFFFAOYSA-N 1 0 383.561 4.215 20 0 GIADRO Cc1ncsc1CC[NH2+]C[C@@H](O)CO[C@H](c1ccccc1)c1ccccc1C ZINC000570795611 823088789 /nfs/dbraw/zinc/08/87/89/823088789.db2.gz ZZACIGHJRPRGLN-NFBKMPQASA-N 1 0 396.556 4.059 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000187565515 823089327 /nfs/dbraw/zinc/08/93/27/823089327.db2.gz GJDADVDNWTWRND-UHFFFAOYSA-N 1 0 376.422 4.115 20 0 GIADRO O=C(NCc1csc(-c2ccccc2)n1)c1ccccc1CC1CC[NH2+]CC1 ZINC000570802530 823089375 /nfs/dbraw/zinc/08/93/75/823089375.db2.gz SITULGZPINZBSD-UHFFFAOYSA-N 1 0 391.540 4.282 20 0 GIADRO O=C(Nc1ccc2c(c1)CCC2)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000570825134 823092342 /nfs/dbraw/zinc/09/23/42/823092342.db2.gz HOJPZFLRVDXDMV-FCHUYYIVSA-N 1 0 375.516 4.161 20 0 GIADRO CCOC(=O)C1CCC([NH2+]C[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)CC1 ZINC000187568024 823089867 /nfs/dbraw/zinc/08/98/67/823089867.db2.gz PKHAOBFVTCXZCM-UYJHFMRCSA-N 1 0 386.458 4.020 20 0 GIADRO C[C@H](NC(=O)Cc1nc(-c2ccc(F)cc2)cs1)[C@H](c1ccccc1)[NH+](C)C ZINC000187570454 823090081 /nfs/dbraw/zinc/09/00/81/823090081.db2.gz BVDXSPFAQKWEJN-OYHNWAKOSA-N 1 0 397.519 4.299 20 0 GIADRO O=C(Nc1ccc2c(c1)C[NH2+]CC2)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000570811469 823090130 /nfs/dbraw/zinc/09/01/30/823090130.db2.gz CDASAXCREYLZHE-UHFFFAOYSA-N 1 0 397.906 4.113 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1cccc(NC(=O)c2ccccc2)c1)C(=O)N1CCC(C)CC1 ZINC000056153254 823090183 /nfs/dbraw/zinc/09/01/83/823090183.db2.gz AMKUDBDJFPPHDA-RBUKOAKNSA-N 1 0 393.531 4.237 20 0 GIADRO CCOc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1cc(OC)c(OC)cc1C ZINC000056153902 823090421 /nfs/dbraw/zinc/09/04/21/823090421.db2.gz ZUQPRZNCEGOTKS-HOTGVXAUSA-N 1 0 386.492 4.089 20 0 GIADRO C[N@@H+]1CCC[C@]2(CCN(Cc3ncc(-c4cccc(Br)c4)o3)C2)C1 ZINC000570811618 823090669 /nfs/dbraw/zinc/09/06/69/823090669.db2.gz LMDVLZMYFXRYLI-IBGZPJMESA-N 1 0 390.325 4.022 20 0 GIADRO Clc1cccc(-c2noc(CC[NH2+]Cc3cnc(-c4ccccc4)[nH]3)n2)c1 ZINC000175995617 823091081 /nfs/dbraw/zinc/09/10/81/823091081.db2.gz HVJLGTOCOPQHAT-UHFFFAOYSA-N 1 0 379.851 4.112 20 0 GIADRO CCOC(=O)[C@H]1CC[C@H]([NH2+]C2CCN(Cc3ccccc3)CC2)c2ccccc21 ZINC000570818507 823091206 /nfs/dbraw/zinc/09/12/06/823091206.db2.gz CEBGDPWAQSEBEX-ZEQRLZLVSA-N 1 0 392.543 4.422 20 0 GIADRO CCc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(NC(=O)NC3CC3)cc2)cc1 ZINC000056159869 823092607 /nfs/dbraw/zinc/09/26/07/823092607.db2.gz XHNLLIGDSODLBT-HZPDHXFCSA-N 1 0 394.519 4.211 20 0 GIADRO CN(Cc1cc(Cl)cn1C)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000120951730 823092006 /nfs/dbraw/zinc/09/20/06/823092006.db2.gz CQLWTJOTAKAVDG-UHFFFAOYSA-N 1 0 388.943 4.006 20 0 GIADRO COc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2ccc(Cl)cc2F)c(OC)c1 ZINC000187580644 823092093 /nfs/dbraw/zinc/09/20/93/823092093.db2.gz ATKMNZKVJQDDSK-GFCCVEGCSA-N 1 0 380.847 4.003 20 0 GIADRO Cc1ccc2c(c1)nc(C[NH2+][C@H](C)CC(=O)N(C)Cc1ccccc1Cl)n2C ZINC000187580674 823092116 /nfs/dbraw/zinc/09/21/16/823092116.db2.gz RQLORHHXAOOGRL-MRXNPFEDSA-N 1 0 398.938 4.062 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2c(F)cccc2Br)C1 ZINC000176004389 823093061 /nfs/dbraw/zinc/09/30/61/823093061.db2.gz WCPGYNVJEXJSIH-OKILXGFUSA-N 1 0 385.321 4.076 20 0 GIADRO CCCOc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2OC)cc1OC ZINC000056161963 823093248 /nfs/dbraw/zinc/09/32/48/823093248.db2.gz VJDHUBOFCWHCEA-HZPDHXFCSA-N 1 0 386.492 4.170 20 0 GIADRO Cc1coc(-c2ccc(C)c(NC(=O)N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C(C)C)c2)n1 ZINC000120959288 823093339 /nfs/dbraw/zinc/09/33/39/823093339.db2.gz LCFBXOCFNCABMF-MOPGFXCFSA-N 1 0 382.508 4.437 20 0 GIADRO CC(C)Sc1ccc([C@H](C)NC(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)cc1 ZINC000176005493 823093700 /nfs/dbraw/zinc/09/37/00/823093700.db2.gz ZROZQLSSSPKPFC-JXFKEZNVSA-N 1 0 378.582 4.158 20 0 GIADRO Cc1onc(-c2ccccc2)c1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000570843214 823094317 /nfs/dbraw/zinc/09/43/17/823094317.db2.gz OLEPAFOACGPMTK-UZLBHIALSA-N 1 0 375.472 4.043 20 0 GIADRO c1ccc(OCCOc2ccc(C[NH2+]Cc3cccc4cccnc43)cn2)cc1 ZINC000120967261 823094427 /nfs/dbraw/zinc/09/44/27/823094427.db2.gz WBAHKHQZXUHCPS-UHFFFAOYSA-N 1 0 385.467 4.377 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cc(C)no2)ccc1OCCC(C)C ZINC000056183180 823097810 /nfs/dbraw/zinc/09/78/10/823097810.db2.gz VUWKNCZKCLIEEZ-HZPDHXFCSA-N 1 0 389.496 4.094 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)NCc2cccc3cccnc32)[C@@H]1c1cccs1 ZINC000176009697 823094866 /nfs/dbraw/zinc/09/48/66/823094866.db2.gz RZUSLJSEZJWGNU-GHTZIAJQSA-N 1 0 394.544 4.179 20 0 GIADRO CC(C)c1noc([C@H](C)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)n1 ZINC000056170850 823095112 /nfs/dbraw/zinc/09/51/12/823095112.db2.gz LLVBNXZLVRGEAL-INIZCTEOSA-N 1 0 385.512 4.181 20 0 GIADRO CC[NH+]1CCN(c2ccc(N[C@H](C)C(=O)Nc3cc(F)ccc3C)c(C)c2)CC1 ZINC000056170375 823095152 /nfs/dbraw/zinc/09/51/52/823095152.db2.gz VYIMMTMIJVZKRB-GOSISDBHSA-N 1 0 398.526 4.024 20 0 GIADRO COc1cc([C@@H](C)[NH2+]Cc2ccc(C(C)(C)C)cc2)ccc1S(C)(=O)=O ZINC000120970073 823095267 /nfs/dbraw/zinc/09/52/67/823095267.db2.gz DNBLZEGXPLWHKF-OAHLLOKOSA-N 1 0 375.534 4.247 20 0 GIADRO CC[NH+]1CCN(c2ccc(N[C@H](C)C(=O)Nc3c(C)cccc3C)c(C)c2)CC1 ZINC000056170329 823095285 /nfs/dbraw/zinc/09/52/85/823095285.db2.gz ZUHMVDARIFRPCA-HXUWFJFHSA-N 1 0 394.563 4.193 20 0 GIADRO Cc1ccc([C@@H]2CSCCN2C(=O)NCCCCC[NH+]2CCCC2)cc1 ZINC000458836960 823095414 /nfs/dbraw/zinc/09/54/14/823095414.db2.gz BWICJJZSFLDKFT-FQEVSTJZSA-N 1 0 375.582 4.061 20 0 GIADRO Cc1cccnc1[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1Br)C(C)C ZINC000120975434 823095741 /nfs/dbraw/zinc/09/57/41/823095741.db2.gz YYVCUHSRLXUFCN-YOEHRIQHSA-N 1 0 390.325 4.466 20 0 GIADRO O=C(NCC[C@@H](c1ccccc1)C(F)(F)F)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000458853964 823097943 /nfs/dbraw/zinc/09/79/43/823097943.db2.gz WTDRUPPEXUDLCU-MOPGFXCFSA-N 1 0 397.485 4.383 20 0 GIADRO Cc1cc(-c2nc3cc(F)ccc3s2)ccc1NC(=O)N1CC([NH+](C)C)C1 ZINC000570855451 823096351 /nfs/dbraw/zinc/09/63/51/823096351.db2.gz UXNXTBIXIUUPTP-UHFFFAOYSA-N 1 0 384.480 4.189 20 0 GIADRO CCN1CCC([NH+]2CCC(C(=O)N3CCC[C@@H]3c3cc(C)ccc3C)CC2)CC1 ZINC000570863700 823098003 /nfs/dbraw/zinc/09/80/03/823098003.db2.gz YNZINQGVDAASJS-XMMPIXPASA-N 1 0 397.607 4.163 20 0 GIADRO CN1CC[C@@H]([NH2+]Cc2nc3ccc(F)cc3o2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000570857128 823096688 /nfs/dbraw/zinc/09/66/88/823096688.db2.gz CJSIGFMIUJVXSV-APWZRJJASA-N 1 0 377.822 4.294 20 0 GIADRO O=C(NCC[C@@H](c1ccccc1)C(F)(F)F)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000458845856 823096791 /nfs/dbraw/zinc/09/67/91/823096791.db2.gz PEFGHOISXXYUHA-OALUTQOASA-N 1 0 397.485 4.383 20 0 GIADRO CCc1nc(NC(=O)N(CC[NH+](CC)CC)CCC(F)(F)F)sc1C ZINC000176021848 823098124 /nfs/dbraw/zinc/09/81/24/823098124.db2.gz OZIUMOVTZUFGMI-UHFFFAOYSA-N 1 0 380.480 4.142 20 0 GIADRO COc1ccc(CN(C(=O)NC2CC[NH+](C3CCCC3)CC2)[C@@H](C)C2CC2)cc1 ZINC000176027853 823099251 /nfs/dbraw/zinc/09/92/51/823099251.db2.gz BBNOTNWEMKYKCK-SFHVURJKSA-N 1 0 399.579 4.412 20 0 GIADRO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2cccc3[nH]ccc32)C1 ZINC000570873700 823100069 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4.147 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)NC[C@H]2CSc3ccccc32)CC1 ZINC000458915040 823105671 /nfs/dbraw/zinc/10/56/71/823105671.db2.gz MVLKGCHJOJPKTN-SFHVURJKSA-N 1 0 375.582 4.029 20 0 GIADRO CCOc1ccccc1NC(=O)[C@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1ccccc1 ZINC000187653806 823106034 /nfs/dbraw/zinc/10/60/34/823106034.db2.gz ZGVJENBTIQNZRO-WIYYLYMNSA-N 1 0 382.504 4.312 20 0 GIADRO CSCC1CCC(NC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000458932463 823108262 /nfs/dbraw/zinc/10/82/62/823108262.db2.gz OYFOUSUYDKUZGR-UHFFFAOYSA-N 1 0 389.609 4.214 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)NCC[C@H]2CCc3ccccc32)CC1 ZINC000458936044 823108880 /nfs/dbraw/zinc/10/88/80/823108880.db2.gz YIFYSBPFXSOLAV-JOCHJYFZSA-N 1 0 391.559 4.413 20 0 GIADRO CCCOc1c(Br)cc(C[NH2+][C@@H](C)c2cc[nH]c(=O)c2)cc1OC ZINC000570945104 823110341 /nfs/dbraw/zinc/11/03/41/823110341.db2.gz PTWBPHNGDCRDDG-LBPRGKRZSA-N 1 0 395.297 4.198 20 0 GIADRO Cn1cc(C[N@@H+]2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)c(C(C)(C)C)n1 ZINC000570973022 823113898 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394.563 4.190 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2oc3ccc(CCC(C)=O)cc3c2C)C[C@@H]1C ZINC000570979993 823115028 /nfs/dbraw/zinc/11/50/28/823115028.db2.gz OUBKZPILTIKAJG-HNAYVOBHSA-N 1 0 384.520 4.208 20 0 GIADRO CCOC(=O)N1CCC([C@H](C)[NH2+][C@@H](C)c2ccc(SC)c(OC)c2)CC1 ZINC000187701048 823115583 /nfs/dbraw/zinc/11/55/83/823115583.db2.gz RGFLUWDOAMPZPO-GJZGRUSLSA-N 1 0 380.554 4.325 20 0 GIADRO CC[NH+]1CCC(CNC(=O)C2(c3cccc(C(F)(F)F)c3)CCCC2)CC1 ZINC000570991828 823116512 /nfs/dbraw/zinc/11/65/12/823116512.db2.gz BKFLTSOGRGKVFJ-UHFFFAOYSA-N 1 0 382.470 4.365 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+][C@@H](C)C(=O)N1Cc2ccccc2C1 ZINC000570992193 823116579 /nfs/dbraw/zinc/11/65/79/823116579.db2.gz SGLQWQRZATUBCN-ZBFHGGJFSA-N 1 0 392.528 4.095 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc2c(c1)CCCC2=O ZINC000570991190 823116702 /nfs/dbraw/zinc/11/67/02/823116702.db2.gz WGRXNUGYNLBQMV-FQEVSTJZSA-N 1 0 390.527 4.190 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2nn(CCC(C)C)c3ccccc23)C[C@@H]1C ZINC000459014173 823116731 /nfs/dbraw/zinc/11/67/31/823116731.db2.gz UYTZQFFFYOUFQD-RBUKOAKNSA-N 1 0 399.583 4.097 20 0 GIADRO CCS(=O)(=O)c1ccc2oc(CN3C[C@H](c4ccc(C)cc4)C[C@H]3C)nc2c1 ZINC000570997088 823117637 /nfs/dbraw/zinc/11/76/37/823117637.db2.gz NTXRRQQRGXZSDS-SJLPKXTDSA-N 1 0 398.528 4.308 20 0 GIADRO Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]Cc1cc(F)ccc1Br ZINC000121100758 823118421 /nfs/dbraw/zinc/11/84/21/823118421.db2.gz OTYCXZJAXPQVKZ-CYBMUJFWSA-N 1 0 379.273 4.404 20 0 GIADRO CC(C)c1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000121102568 823118862 /nfs/dbraw/zinc/11/88/62/823118862.db2.gz QFTVBHKGNZMTKT-IAGOWNOFSA-N 1 0 377.492 4.069 20 0 GIADRO Cc1c[nH+]ccc1N1CCC(c2nc(-c3ccc(NC(C)(C)C)cn3)no2)CC1 ZINC000571013039 823120081 /nfs/dbraw/zinc/12/00/81/823120081.db2.gz FSXUNKCJMQPKAC-UHFFFAOYSA-N 1 0 392.507 4.429 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]CC2=CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000187745939 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386.323 4.246 20 0 GIADRO C[C@H]([NH2+]CC1=CCN(C(=O)OC(C)(C)C)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000187747885 823124558 /nfs/dbraw/zinc/12/45/58/823124558.db2.gz MWMVNCMFCFFVNZ-KRWDZBQOSA-N 1 0 399.535 4.031 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(-c2ccccc2)o1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000121136934 823124769 /nfs/dbraw/zinc/12/47/69/823124769.db2.gz QPOCVWSXEKOLSV-INIZCTEOSA-N 1 0 384.501 4.048 20 0 GIADRO COc1ccc2c(c1)[C@@H]([NH2+]C1CCN(C(=O)c3ccoc3)CC1)CCCS2 ZINC000187748097 823124672 /nfs/dbraw/zinc/12/46/72/823124672.db2.gz BWFQAGIPKVQLCU-IBGZPJMESA-N 1 0 386.517 4.110 20 0 GIADRO COc1ccc(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)cc1OC(F)F ZINC000056332817 823129885 /nfs/dbraw/zinc/12/98/85/823129885.db2.gz TUHMDNBVINSXAQ-UHFFFAOYSA-N 1 0 390.430 4.187 20 0 GIADRO C[C@H]1C[C@H](NC(=O)Cc2ccc(C(F)(F)F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000176117607 823126147 /nfs/dbraw/zinc/12/61/47/823126147.db2.gz NOBUOMUDXSGIGG-OXJNMPFZSA-N 1 0 390.449 4.417 20 0 GIADRO CC[C@@H](Cc1ccccc1)[N@H+](C)Cc1ncc(I)s1 ZINC000571086046 823130054 /nfs/dbraw/zinc/13/00/54/823130054.db2.gz AGKQVSRLWJIRJF-ZDUSSCGKSA-N 1 0 386.302 4.201 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)N1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000459115302 823130068 /nfs/dbraw/zinc/13/00/68/823130068.db2.gz SZOZPBFULSHLCW-DEOSSOPVSA-N 1 0 389.543 4.361 20 0 GIADRO Cc1nc(-c2c[nH]c(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)c2)cs1 ZINC000176122610 823128125 /nfs/dbraw/zinc/12/81/25/823128125.db2.gz AIHXPDJSGSAOKF-BEFAXECRSA-N 1 0 394.544 4.230 20 0 GIADRO COc1ccc(-c2cc(C(=O)N3CCC([C@@H]4CC[NH2+]C4)CC3)sc2C)cc1 ZINC000571082042 823129068 /nfs/dbraw/zinc/12/90/68/823129068.db2.gz LFAUFPJXUDRVED-GOSISDBHSA-N 1 0 384.545 4.194 20 0 GIADRO CC[N@H+](CCc1nccs1)[C@@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1 ZINC000121155452 823129222 /nfs/dbraw/zinc/12/92/22/823129222.db2.gz DFQQJNYVCOVUDG-OAQYLSRUSA-N 1 0 395.528 4.396 20 0 GIADRO COc1ccc(C)cc1NC(=O)C[NH2+][C@@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000571084178 823129568 /nfs/dbraw/zinc/12/95/68/823129568.db2.gz NRZCVRAHEJAEKD-KRWDZBQOSA-N 1 0 391.471 4.480 20 0 GIADRO CCN(C(=O)NC[C@@H]1CCOC(C)(C)C1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000459129112 823131971 /nfs/dbraw/zinc/13/19/71/823131971.db2.gz DGLNSDPFYHYLCK-QKNQBKEWSA-N 1 0 387.568 4.059 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)CCc2nc3ccccc3s2)CC[N@@H+]1Cc1ccccc1 ZINC000176137365 823133145 /nfs/dbraw/zinc/13/31/45/823133145.db2.gz HJYIHFJGGQKGHS-MJGOQNOKSA-N 1 0 393.556 4.398 20 0 GIADRO C[C@H](NC(=O)NC[C@@H](c1cccs1)[NH+](C)C)c1cccc(N2CCCC2)c1 ZINC000176147130 823135563 /nfs/dbraw/zinc/13/55/63/823135563.db2.gz HUSQAAFOUCAQTG-LPHOPBHVSA-N 1 0 386.565 4.011 20 0 GIADRO CC(C)[C@@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)c1nc2ccccc2[nH]1 ZINC000176140946 823133725 /nfs/dbraw/zinc/13/37/25/823133725.db2.gz IBNNCLVVNMNQFP-OAQYLSRUSA-N 1 0 397.567 4.356 20 0 GIADRO Cc1noc(C2CCC([NH2+][C@H]3CCOc4c(Br)cccc43)CC2)n1 ZINC000571112649 823133912 /nfs/dbraw/zinc/13/39/12/823133912.db2.gz KXILYTGWFBOHLL-ZUEPYMLJSA-N 1 0 392.297 4.280 20 0 GIADRO CCN(C(=O)NCCC1CC(F)(F)C1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000459145331 823134686 /nfs/dbraw/zinc/13/46/86/823134686.db2.gz WMEIYIOFWRYNCO-LPHOPBHVSA-N 1 0 379.495 4.289 20 0 GIADRO Fc1ccc(-c2nc3c(s2)[C@H]([NH2+]CCOC[C@H]2CCCO2)CCC3)cc1 ZINC000121190873 823135697 /nfs/dbraw/zinc/13/56/97/823135697.db2.gz LNUKYYNLNHOYMU-IAGOWNOFSA-N 1 0 376.497 4.112 20 0 GIADRO CC[N@H+](CC(=O)Nc1c(C)nn(-c2ccccc2)c1C)[C@H](C)Cc1ccsc1 ZINC000187798823 823135741 /nfs/dbraw/zinc/13/57/41/823135741.db2.gz NAEAMUHCQBHIGT-MRXNPFEDSA-N 1 0 396.560 4.442 20 0 GIADRO CCS(=O)(=O)c1ccc(C[NH2+]C[C@@H](C)c2ccc(C(F)(F)F)cc2)s1 ZINC000571126120 823136825 /nfs/dbraw/zinc/13/68/25/823136825.db2.gz QWCNMQDZQMAECG-GFCCVEGCSA-N 1 0 391.480 4.454 20 0 GIADRO CC[NH+](CC)CCOc1ccc(NC(=O)Cc2c[nH]c3ccc(OC)cc23)cc1 ZINC000121195121 823136185 /nfs/dbraw/zinc/13/61/85/823136185.db2.gz NIHCYVCNFHAHRZ-UHFFFAOYSA-N 1 0 395.503 4.078 20 0 GIADRO CCOC(=O)COCC[NH2+][C@@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000571128467 823137072 /nfs/dbraw/zinc/13/70/72/823137072.db2.gz DJNFGYACKCVMJT-LBPRGKRZSA-N 1 0 382.913 4.002 20 0 GIADRO CC(=O)c1cccc(OCCCC(=O)N2C[C@@H]3CCC[N@@H+]3Cc3ccccc32)c1 ZINC000121218059 823140901 /nfs/dbraw/zinc/14/09/01/823140901.db2.gz SXFBETZFVXYVEK-NRFANRHFSA-N 1 0 392.499 4.059 20 0 GIADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@H](C)c1cccc(C)c1 ZINC000459194702 823141565 /nfs/dbraw/zinc/14/15/65/823141565.db2.gz GAMMSQIXAMIPTP-DENIHFKCSA-N 1 0 380.536 4.147 20 0 GIADRO C[C@@H]1C[N@@H+](C2CCN(C(=O)CC(C)(C)Cc3ccc(Cl)cc3)CC2)CCO1 ZINC000187830544 823141978 /nfs/dbraw/zinc/14/19/78/823141978.db2.gz SRLCMMZEJNAGGV-QGZVFWFLSA-N 1 0 392.971 4.011 20 0 GIADRO CN(Cc1cccc(C(F)(F)F)c1)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000056396257 823142444 /nfs/dbraw/zinc/14/24/44/823142444.db2.gz PRZGTZHZJQEWKU-UHFFFAOYSA-N 1 0 379.426 4.109 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)N[C@@H](C)c2nc3c(s2)CCC3)CC1 ZINC000459201865 823143234 /nfs/dbraw/zinc/14/32/34/823143234.db2.gz UIUQJLMWCMFGOI-INIZCTEOSA-N 1 0 392.613 4.236 20 0 GIADRO Cc1ncc(CN(C)C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)s1 ZINC000056401895 823144027 /nfs/dbraw/zinc/14/40/27/823144027.db2.gz GWBLJBANKPRVNI-MRXNPFEDSA-N 1 0 386.565 4.168 20 0 GIADRO [NH3+][C@@H]1CCc2ncc(NC(=O)N[C@H]3CC[C@H](c4cccc(Cl)c4)C3)cc2C1 ZINC000571180277 823144837 /nfs/dbraw/zinc/14/48/37/823144837.db2.gz ASKCFGYVJVNZNG-QGTPRVQTSA-N 1 0 384.911 4.009 20 0 GIADRO C[C@@H](c1cccc(Cl)c1)N(C)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000056406672 823144890 /nfs/dbraw/zinc/14/48/90/823144890.db2.gz MHGCRRNIWYYJGG-INIZCTEOSA-N 1 0 386.927 4.102 20 0 GIADRO CC(C)(CN[C@@H](c1ncc[nH]1)c1ccc(F)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000187845477 823145097 /nfs/dbraw/zinc/14/50/97/823145097.db2.gz JBUPEEJVUZYDMC-OAQYLSRUSA-N 1 0 378.495 4.065 20 0 GIADRO Cc1ccc(-n2cc(C[NH2+]C[C@@H](C)C[C@H](C)O)c(-c3ccc(F)cc3)n2)cc1 ZINC000571184830 823145536 /nfs/dbraw/zinc/14/55/36/823145536.db2.gz LBTDRDCCEGSUGJ-ROUUACIJSA-N 1 0 381.495 4.483 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H](C)C[C@H](O)c1cccs1 ZINC000121216706 823140723 /nfs/dbraw/zinc/14/07/23/823140723.db2.gz KMBYTVBRQRJLGE-XEZPLFJOSA-N 1 0 396.940 4.229 20 0 GIADRO CC(C)(C)c1cc(NC(=O)N2CCC[C@H](C[NH3+])C2)n(-c2cccc(Cl)c2)n1 ZINC000571147036 823140652 /nfs/dbraw/zinc/14/06/52/823140652.db2.gz ZPDYROITHYPIEV-CQSZACIVSA-N 1 0 389.931 4.026 20 0 GIADRO COc1cccc(C[C@H]([NH2+]C[C@@H]2CCN(c3cccc(OC)c3)C2)C2CC2)c1 ZINC000121244147 823146428 /nfs/dbraw/zinc/14/64/28/823146428.db2.gz LSVAAFLXOONHFD-CYFREDJKSA-N 1 0 380.532 4.141 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@H]1CCOC2(CCCC2)C1 ZINC000121252211 823147955 /nfs/dbraw/zinc/14/79/55/823147955.db2.gz ZIBMMVOAKOWWLG-SFHVURJKSA-N 1 0 389.540 4.021 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1O ZINC000571211089 823149385 /nfs/dbraw/zinc/14/93/85/823149385.db2.gz ZZBNYMXJZXEDIA-ZBEGNZNMSA-N 1 0 395.286 4.164 20 0 GIADRO CN(C(=O)NCc1ccc(Cl)cc1F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000187877676 823151429 /nfs/dbraw/zinc/15/14/29/823151429.db2.gz XGVWUIAJTJSTPX-UHFFFAOYSA-N 1 0 389.902 4.285 20 0 GIADRO CSc1ccc([C@H](CNC(=O)c2cc(O)c3ccccc3c2)[NH+](C)C)cc1 ZINC000571240452 823154040 /nfs/dbraw/zinc/15/40/40/823154040.db2.gz NXNHQIKKQIIPIE-FQEVSTJZSA-N 1 0 380.513 4.300 20 0 GIADRO Cc1ccc([C@H](CN[C@@H](c2ncc[nH]2)c2ccc(F)cc2)[NH+]2CCCC2)cc1 ZINC000187900135 823154834 /nfs/dbraw/zinc/15/48/34/823154834.db2.gz ZHGYYHDUMKJTJD-FCHUYYIVSA-N 1 0 378.495 4.373 20 0 GIADRO CC(C)([C@H](NC(=O)c1cc(C2CC2)no1)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000571245530 823154960 /nfs/dbraw/zinc/15/49/60/823154960.db2.gz SRKNBHLVTDZYKS-LJQANCHMSA-N 1 0 389.446 4.176 20 0 GIADRO O=C(C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O)Nc1ccccc1-c1ccccc1 ZINC000571255454 823156562 /nfs/dbraw/zinc/15/65/62/823156562.db2.gz VCXNJGKGSHOHLO-MDNUFGMLSA-N 1 0 378.516 4.308 20 0 GIADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)Nc1ccc(OCc2ccccn2)c(F)c1 ZINC000571248392 823155336 /nfs/dbraw/zinc/15/53/36/823155336.db2.gz KTBMRXGGKAHYPC-MRXNPFEDSA-N 1 0 388.487 4.042 20 0 GIADRO CC[N@H+](CCC1CCN(C(=O)NC2CCC(C(F)F)CC2)CC1)CC1CC1 ZINC000459277295 823155538 /nfs/dbraw/zinc/15/55/38/823155538.db2.gz LIRRRMAHKKOCMY-UHFFFAOYSA-N 1 0 385.543 4.354 20 0 GIADRO O=C(C[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C1)Nc1ccccc1C(F)(F)F ZINC000121287668 823155726 /nfs/dbraw/zinc/15/57/26/823155726.db2.gz VYRKITCGQXALKN-HNNXBMFYSA-N 1 0 380.385 4.348 20 0 GIADRO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)[C@@H](C)c1ccc2c(c1)CCC2 ZINC000459321290 823161147 /nfs/dbraw/zinc/16/11/47/823161147.db2.gz ZVBKIZJAEWQYAR-INIZCTEOSA-N 1 0 379.504 4.155 20 0 GIADRO COc1ccc(-c2ccccc2C)cc1C[NH+]1CCC(NC(=O)C(C)C)CC1 ZINC000459295335 823157662 /nfs/dbraw/zinc/15/76/62/823157662.db2.gz HUSLUQQCEAGTNI-UHFFFAOYSA-N 1 0 380.532 4.407 20 0 GIADRO O=C(C1CC1)N1CCC([NH2+]C/C=C/c2ccc(OCc3ccccc3)cc2)CC1 ZINC000459294610 823157715 /nfs/dbraw/zinc/15/77/15/823157715.db2.gz KTGUGMXAEAGXIG-QPJJXVBHSA-N 1 0 390.527 4.269 20 0 GIADRO C[C@@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000459320198 823161197 /nfs/dbraw/zinc/16/11/97/823161197.db2.gz RYSMRPYGOOVUNL-JKSUJKDBSA-N 1 0 385.474 4.010 20 0 GIADRO CC(C)[N@@H+](Cc1cnc(C2CC2)nc1)C[C@@H](O)COc1cccc2ccccc21 ZINC000459303697 823158502 /nfs/dbraw/zinc/15/85/02/823158502.db2.gz XYRABEYHNRKILW-OAQYLSRUSA-N 1 0 391.515 4.158 20 0 GIADRO COc1cccc(Oc2ccc(NC(=O)NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)cc2)c1 ZINC000571278504 823159557 /nfs/dbraw/zinc/15/95/57/823159557.db2.gz QTKKEQDGLPHCRK-AYHJJNSGSA-N 1 0 381.476 4.234 20 0 GIADRO CCc1nc(-c2nc([C@H]([NH3+])CC(C)C)no2)nn1-c1c(Cl)cccc1Cl ZINC000571283510 823160344 /nfs/dbraw/zinc/16/03/44/823160344.db2.gz POYASPDZYUBCCM-GFCCVEGCSA-N 1 0 395.294 4.232 20 0 GIADRO COc1cccc([C@H](CNC(=O)N([C@@H](C)c2ccco2)C2CC2)[NH+]2CCCC2)c1 ZINC000121312446 823160968 /nfs/dbraw/zinc/16/09/68/823160968.db2.gz QSKCBCHGDFZZLT-UWJYYQICSA-N 1 0 397.519 4.360 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)N(C)[C@H](C)Cc2cccc(F)c2)CC1 ZINC000459330298 823162362 /nfs/dbraw/zinc/16/23/62/823162362.db2.gz RHLCBXMUSFISDQ-GOSISDBHSA-N 1 0 398.526 4.063 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000459329936 823162399 /nfs/dbraw/zinc/16/23/99/823162399.db2.gz RSQFLVBEEQDDFC-UHFFFAOYSA-N 1 0 397.548 4.146 20 0 GIADRO CCOc1ccc(NC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)c(C(F)(F)F)c1 ZINC000121322220 823162964 /nfs/dbraw/zinc/16/29/64/823162964.db2.gz MSTJMCJBLHCCGI-AWEZNQCLSA-N 1 0 387.446 4.204 20 0 GIADRO CC[C@@H]1CN(C/C=C/c2ccc(OCc3ccccc3)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000459333281 823162972 /nfs/dbraw/zinc/16/29/72/823162972.db2.gz IISVEANUVPZJMU-DYKDJHDHSA-N 1 0 394.559 4.056 20 0 GIADRO CCN(Cc1c[nH]c2ccccc12)C(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000187951121 823163074 /nfs/dbraw/zinc/16/30/74/823163074.db2.gz OJIVBIHGLYBLEK-OAQYLSRUSA-N 1 0 394.519 4.438 20 0 GIADRO CCOCCOc1c(Cl)cccc1NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000176253023 823163497 /nfs/dbraw/zinc/16/34/97/823163497.db2.gz ULVSRNDVVJJWAG-MRXNPFEDSA-N 1 0 394.943 4.348 20 0 GIADRO Cc1coc2ccc(NC(=O)NC3CC[NH+]([C@@H](C)c4ccncc4)CC3)cc12 ZINC000187961347 823164179 /nfs/dbraw/zinc/16/41/79/823164179.db2.gz YYSRGSONBFHUJN-INIZCTEOSA-N 1 0 378.476 4.483 20 0 GIADRO c1c(CN2CC[C@H]([NH+]3CCCCC3)C2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459339253 823164925 /nfs/dbraw/zinc/16/49/25/823164925.db2.gz NMRGJMHDNNJDEW-NRFANRHFSA-N 1 0 379.552 4.120 20 0 GIADRO CC(=O)NCCC[NH2+][C@H](C)c1sc(-c2ccccc2Br)nc1C ZINC000121334920 823165316 /nfs/dbraw/zinc/16/53/16/823165316.db2.gz QYIRPKNYGJYAGR-LLVKDONJSA-N 1 0 396.354 4.058 20 0 GIADRO CC[N@H+](CCc1cncn1C)[C@@H]1CCSc2ccc(Br)cc21 ZINC000459341628 823165504 /nfs/dbraw/zinc/16/55/04/823165504.db2.gz PZJKIRLKSFCXHZ-MRXNPFEDSA-N 1 0 380.355 4.284 20 0 GIADRO C[C@@H](Cc1ccccc1F)[NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1 ZINC000188010663 823171557 /nfs/dbraw/zinc/17/15/57/823171557.db2.gz CYNYSIJJADHONT-KRWDZBQOSA-N 1 0 392.478 4.263 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1N1CCCC1=O)c1cccc2ccccc21 ZINC000121345795 823166960 /nfs/dbraw/zinc/16/69/60/823166960.db2.gz CSBLILAQTSPLTR-QGZVFWFLSA-N 1 0 387.483 4.256 20 0 GIADRO CC(C)COc1ccc(C[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)cc1 ZINC000121370892 823172102 /nfs/dbraw/zinc/17/21/02/823172102.db2.gz VCZPVHBHHZCRMV-UHFFFAOYSA-N 1 0 382.504 4.278 20 0 GIADRO O=C(CCC[NH+]1CCN(c2ccccc2)CC1)N1CCC(c2ccsc2)CC1 ZINC000187984539 823167320 /nfs/dbraw/zinc/16/73/20/823167320.db2.gz AQPLMYDDIKYUMP-UHFFFAOYSA-N 1 0 397.588 4.057 20 0 GIADRO Cc1occc1CN(C)C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000056553314 823167821 /nfs/dbraw/zinc/16/78/21/823167821.db2.gz BLKABZCXCUTDTL-GOSISDBHSA-N 1 0 375.538 4.264 20 0 GIADRO CC1CC[NH+]([C@@H](CNC(=O)N2CCC[C@@H]2c2ccccn2)c2cccs2)CC1 ZINC000056553315 823167843 /nfs/dbraw/zinc/16/78/43/823167843.db2.gz GPOBKPKLTDRPQO-UXHICEINSA-N 1 0 398.576 4.463 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(N(C)C(=O)OC)cc1)c1ccccc1 ZINC000056554526 823168231 /nfs/dbraw/zinc/16/82/31/823168231.db2.gz VTDGIEUWSKCKIW-HXUWFJFHSA-N 1 0 398.507 4.094 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+][C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000571349998 823169198 /nfs/dbraw/zinc/16/91/98/823169198.db2.gz UVNPVFXNKWVWRM-PWIZWCRZSA-N 1 0 385.577 4.413 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(NC(=O)c2cccc(F)c2)c1)c1cccc(CO)c1 ZINC000121357985 823170082 /nfs/dbraw/zinc/17/00/82/823170082.db2.gz JPTCJHIJPSIUCM-MRXNPFEDSA-N 1 0 378.447 4.421 20 0 GIADRO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@H]1CCC[C@@H]1CCO ZINC000188002938 823170204 /nfs/dbraw/zinc/17/02/04/823170204.db2.gz TYVCIYCDTNLEDM-HSMVNMDESA-N 1 0 392.849 4.217 20 0 GIADRO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@@]1(CO)C[C@@H]1c1ccccc1 ZINC000571368109 823172589 /nfs/dbraw/zinc/17/25/89/823172589.db2.gz PMQVHMQQICODLY-DHIUTWEWSA-N 1 0 395.934 4.398 20 0 GIADRO Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccccc2N2CC[NH+](C)CC2)c1 ZINC000056572629 823172533 /nfs/dbraw/zinc/17/25/33/823172533.db2.gz YZBCOIGROUTQQY-NRFANRHFSA-N 1 0 378.520 4.116 20 0 GIADRO O=C(NCC1([NH+]2CCSCC2)CCCCC1)c1c(Cl)cccc1Cl ZINC000176288107 823172955 /nfs/dbraw/zinc/17/29/55/823172955.db2.gz HKLSKJYGZFVCMF-UHFFFAOYSA-N 1 0 387.376 4.475 20 0 GIADRO C[C@](O)(C[NH2+][C@@H](Cc1ccccc1)c1nc2ccccc2s1)C(F)(F)F ZINC000571396604 823177141 /nfs/dbraw/zinc/17/71/41/823177141.db2.gz JFDXLLDHZPKDGY-YJBOKZPZSA-N 1 0 380.435 4.483 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)N(Cc2ccco2)C[C@H]2CCCO2)cc1 ZINC000056577735 823173932 /nfs/dbraw/zinc/17/39/32/823173932.db2.gz AIFFGUMMXBKNLX-JOCHJYFZSA-N 1 0 399.535 4.012 20 0 GIADRO Cc1ccc(NC(=O)Cc2cccc(OCC(F)(F)F)c2)c(C[NH+](C)C)c1 ZINC000121397372 823177249 /nfs/dbraw/zinc/17/72/49/823177249.db2.gz AHBCKWKFJOEJFA-UHFFFAOYSA-N 1 0 380.410 4.179 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)NCCc2cc3ccccc3o2)CC1 ZINC000176292064 823174168 /nfs/dbraw/zinc/17/41/68/823174168.db2.gz BOWNRSZLWIDINN-UHFFFAOYSA-N 1 0 391.515 4.281 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@H]1c1ccccn1)c1cccc(OC)c1 ZINC000056582569 823174390 /nfs/dbraw/zinc/17/43/90/823174390.db2.gz KVXAUXOFNIHZKN-FCHUYYIVSA-N 1 0 396.535 4.020 20 0 GIADRO COc1ccc(-c2ccccc2C)cc1C[N@H+]1CCO[C@@H]2CC[C@H](OC)C[C@@H]21 ZINC000459370851 823174770 /nfs/dbraw/zinc/17/47/70/823174770.db2.gz XPJXPDSQWPENPU-ODGPQVTHSA-N 1 0 381.516 4.439 20 0 GIADRO CC(C)n1c2ccc(C(=O)N(C)CC3([NH+](C)C)CCC3)cc2nc1C(F)(F)F ZINC000188041102 823175715 /nfs/dbraw/zinc/17/57/15/823175715.db2.gz YJDWVVSDGDWDLE-UHFFFAOYSA-N 1 0 396.457 4.192 20 0 GIADRO CN(CCC[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1)CC(F)(F)F ZINC000459374005 823175745 /nfs/dbraw/zinc/17/57/45/823175745.db2.gz LLMMIBXFYAOEMB-UHFFFAOYSA-N 1 0 395.473 4.034 20 0 GIADRO CC(C)c1c(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cnn1-c1ccccc1Cl ZINC000188042127 823176045 /nfs/dbraw/zinc/17/60/45/823176045.db2.gz JMWKQEFJXICFQX-CVEARBPZSA-N 1 0 388.943 4.204 20 0 GIADRO CCOc1ccccc1Oc1ccccc1C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000176302807 823176661 /nfs/dbraw/zinc/17/66/61/823176661.db2.gz GGMDUFOYRBIXNH-UHFFFAOYSA-N 1 0 382.504 4.291 20 0 GIADRO C[C@H](C[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1)N1CCC[C@H](C)C1 ZINC000459377606 823176858 /nfs/dbraw/zinc/17/68/58/823176858.db2.gz PFBXUKMJYNIZHI-RBUKOAKNSA-N 1 0 381.568 4.270 20 0 GIADRO COCCOc1ccc([C@@H](C)[NH2+][C@H]2CCOc3c(F)cccc32)cc1OC ZINC000188047086 823176905 /nfs/dbraw/zinc/17/69/05/823176905.db2.gz ZTHSRYDHIBKAJZ-KDOFPFPSSA-N 1 0 375.440 4.034 20 0 GIADRO COc1ccc(C[C@H]([NH2+]Cc2ccc(OC)nc2)c2ccc(OC)cc2)cc1 ZINC000176307209 823177917 /nfs/dbraw/zinc/17/79/17/823177917.db2.gz DNXAAYBVUFNLOC-QFIPXVFZSA-N 1 0 378.472 4.181 20 0 GIADRO C[C@H]([NH2+]C1(CNC(=O)C/C=C/c2ccc(F)cc2)CCOCC1)c1ccccc1 ZINC000176308326 823178535 /nfs/dbraw/zinc/17/85/35/823178535.db2.gz MPUDMFNKWYOJOQ-UEKDZROGSA-N 1 0 396.506 4.245 20 0 GIADRO COc1ccc(Cl)cc1[C@H](CC(C)C)NC(=O)N1CCC(CC[NH3+])CC1 ZINC000571410673 823178759 /nfs/dbraw/zinc/17/87/59/823178759.db2.gz KORHOWWHWRSQBW-SFHVURJKSA-N 1 0 381.948 4.206 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)Cc2cn(C3CCCC3)nc2-c2ccccn2)C[C@H]1C ZINC000459384847 823179167 /nfs/dbraw/zinc/17/91/67/823179167.db2.gz YEAQHYSEJYKAHA-WIYYLYMNSA-N 1 0 381.568 4.365 20 0 GIADRO CCOc1ccc(Oc2ccc(NC(=O)N3CC[C@@]4(C3)CCC[NH2+]C4)cc2)cc1 ZINC000571413763 823179430 /nfs/dbraw/zinc/17/94/30/823179430.db2.gz FHGWQRKTDSLXAZ-QHCPKHFHSA-N 1 0 395.503 4.485 20 0 GIADRO CC[NH+](CC)C[C@@H]1CCN(Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000459385511 823179500 /nfs/dbraw/zinc/17/95/00/823179500.db2.gz YPVVHGAPFWYXRX-IBGZPJMESA-N 1 0 381.568 4.224 20 0 GIADRO COC(=O)CC1([NH2+]Cc2cc(-c3c(OC)ccc4ccccc43)no2)CCC1 ZINC000459385820 823179673 /nfs/dbraw/zinc/17/96/73/823179673.db2.gz GIPTZBWFQFEQAA-UHFFFAOYSA-N 1 0 380.444 4.079 20 0 GIADRO O=C(Nc1ccc2c(c1)C[NH2+]CCO2)N(CCc1ccc(F)cc1)C1CCCC1 ZINC000571415516 823179812 /nfs/dbraw/zinc/17/98/12/823179812.db2.gz XEKSCNMRSJJUHH-UHFFFAOYSA-N 1 0 397.494 4.327 20 0 GIADRO CCN(CCC[NH+](CC)CC)C(=O)c1cccc(NC(=O)c2cccs2)c1 ZINC000188061108 823179813 /nfs/dbraw/zinc/17/98/13/823179813.db2.gz GUWMQGFMOUWJDT-UHFFFAOYSA-N 1 0 387.549 4.194 20 0 GIADRO CCOC(=O)c1noc(C[N@H+](C)[C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)n1 ZINC000459397770 823183198 /nfs/dbraw/zinc/18/31/98/823183198.db2.gz JTOAGAWGKRGOIR-CABCVRRESA-N 1 0 397.397 4.033 20 0 GIADRO COc1cccc([C@H]2[C@@H](NC(=O)c3coc(C4CCCC4)n3)CCN2C2CC2)c1 ZINC000571421798 823180350 /nfs/dbraw/zinc/18/03/50/823180350.db2.gz ZQMRAYKBJDZVNR-FPOVZHCZSA-N 1 0 395.503 4.049 20 0 GIADRO CN(CC1([NH+](C)C)CCC1)C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 ZINC000188063106 823180390 /nfs/dbraw/zinc/18/03/90/823180390.db2.gz LXBIDPOXLKYIRQ-UHFFFAOYSA-N 1 0 397.466 4.385 20 0 GIADRO COc1cccc([C@@H]2[C@H](NC(=O)c3coc(C4CCCC4)n3)CCN2C2CC2)c1 ZINC000571421802 823180393 /nfs/dbraw/zinc/18/03/93/823180393.db2.gz ZQMRAYKBJDZVNR-TZIWHRDSSA-N 1 0 395.503 4.049 20 0 GIADRO Cc1ccc(-c2nnc([C@@H](C)[NH2+][C@@H]3CCO[C@@H](c4ccccn4)C3)o2)cc1C ZINC000571422667 823180703 /nfs/dbraw/zinc/18/07/03/823180703.db2.gz OULLNBCTCMSFCE-YVWKXTFCSA-N 1 0 378.476 4.319 20 0 GIADRO CC1CC[NH+]([C@H](CNC(=O)[C@@H]2CCC(=O)c3ccccc32)c2ccccc2)CC1 ZINC000571422851 823180855 /nfs/dbraw/zinc/18/08/55/823180855.db2.gz UIOXHZNCUHKIEL-DHIUTWEWSA-N 1 0 390.527 4.336 20 0 GIADRO CCOc1cc(C[NH2+][C@H]2CCc3c2cccc3F)cc(Br)c1O ZINC000459389702 823180885 /nfs/dbraw/zinc/18/08/85/823180885.db2.gz HOLOOZJRUWEWMJ-INIZCTEOSA-N 1 0 380.257 4.470 20 0 GIADRO Clc1ccc(C2(C[NH2+]Cc3cnc(C4CC4)nc3)CCOCC2)c(Cl)c1 ZINC000459392643 823181739 /nfs/dbraw/zinc/18/17/39/823181739.db2.gz LWPFOROLZOVJEE-UHFFFAOYSA-N 1 0 392.330 4.499 20 0 GIADRO CCOc1cc(C[NH2+]C2CCN(c3nc4ccccc4s3)CC2)ccc1O ZINC000459398130 823183412 /nfs/dbraw/zinc/18/34/12/823183412.db2.gz SXTUWFVCTLOXFC-UHFFFAOYSA-N 1 0 383.517 4.159 20 0 GIADRO CCOC[C@@H]1CC[N@H+](Cc2csc(-c3cccc(Br)c3)n2)C1 ZINC000176326990 823182617 /nfs/dbraw/zinc/18/26/17/823182617.db2.gz AQUDPPMVGZYKJJ-CYBMUJFWSA-N 1 0 381.339 4.431 20 0 GIADRO Cc1nc2c(s1)[C@H]([N@H+](C)C[C@H](O)CO[C@@H]1CCCc3ccccc31)CCC2 ZINC000121399639 823177622 /nfs/dbraw/zinc/17/76/22/823177622.db2.gz DBUNGHJUFNXJBF-IOMROCGXSA-N 1 0 386.561 4.216 20 0 GIADRO Cc1occc1CN(C)C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000056623501 823183994 /nfs/dbraw/zinc/18/39/94/823183994.db2.gz QKSDGJYORFJKSY-IBGZPJMESA-N 1 0 375.900 4.220 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc3c(c2)NC(=O)CO3)[C@H]1Sc1ccccc1 ZINC000459400654 823184155 /nfs/dbraw/zinc/18/41/55/823184155.db2.gz BLQBSKCUFRFHLB-PDPGBCDDSA-N 1 0 398.528 4.006 20 0 GIADRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc3c(c2)NC(=O)CO3)[C@H]1Sc1ccccc1 ZINC000459400656 823184265 /nfs/dbraw/zinc/18/42/65/823184265.db2.gz BLQBSKCUFRFHLB-RYJHKJPMSA-N 1 0 398.528 4.006 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1C[NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000459401797 823184493 /nfs/dbraw/zinc/18/44/93/823184493.db2.gz YCCPQLGYIKQEDG-HNNXBMFYSA-N 1 0 384.524 4.337 20 0 GIADRO COC[C@@H]([NH2+]Cc1ccc(OC(C)(C)C)cc1C(F)(F)F)C1CCOCC1 ZINC000188092628 823185072 /nfs/dbraw/zinc/18/50/72/823185072.db2.gz IECANZFLXYQVBL-GOSISDBHSA-N 1 0 389.458 4.414 20 0 GIADRO Cc1cnn([C@@H]2CC[N@H+](Cc3cn(-c4ccc(C)cc4)nc3C(C)(C)C)C2)c1 ZINC000571458197 823185843 /nfs/dbraw/zinc/18/58/43/823185843.db2.gz ZBBKERMXJNWEQJ-OAQYLSRUSA-N 1 0 377.536 4.430 20 0 GIADRO COc1cc(C[NH2+][C@@H](C2CC2)C(C)(C)CO)ccc1OCc1ccc(F)cc1 ZINC000571458125 823185921 /nfs/dbraw/zinc/18/59/21/823185921.db2.gz XOYJYTKDUFLRBA-QFIPXVFZSA-N 1 0 387.495 4.300 20 0 GIADRO COc1ccc(OC)c(NC(=O)[C@H](C)[N@@H+]2C[C@H](c3ccc(F)cc3)C[C@@H]2C)c1 ZINC000121448135 823186503 /nfs/dbraw/zinc/18/65/03/823186503.db2.gz JPCDLECMMZATJL-YQQAZPJKSA-N 1 0 386.467 4.048 20 0 GIADRO Cc1nn(C)c2cc(NC(=O)N3CCC(CC[N@H+]4CCCC[C@@H]4C)CC3)ccc12 ZINC000571463520 823186481 /nfs/dbraw/zinc/18/64/81/823186481.db2.gz SXTIPJUZTDJPIO-KRWDZBQOSA-N 1 0 397.567 4.390 20 0 GIADRO CCOC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000176340251 823186724 /nfs/dbraw/zinc/18/67/24/823186724.db2.gz XDBHMXZDYMWKTN-NWDGAFQWSA-N 1 0 378.822 4.044 20 0 GIADRO Fc1ccc([C@H](Cn2cnc3ccccc32)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000459413171 823187389 /nfs/dbraw/zinc/18/73/89/823187389.db2.gz SZIFGAXQSPQJQU-QFIPXVFZSA-N 1 0 378.495 4.133 20 0 GIADRO CC(=O)Nc1ccc(-c2nc(-c3ccccc3C[NH+]3CCCCC3)no2)cc1F ZINC000571481071 823189298 /nfs/dbraw/zinc/18/92/98/823189298.db2.gz HEOKUZBTMZEYGD-UHFFFAOYSA-N 1 0 394.450 4.487 20 0 GIADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)[C@H]2CCN(c3ccccc3Cl)C2)C1 ZINC000571487020 823190472 /nfs/dbraw/zinc/19/04/72/823190472.db2.gz VUECXRDAEMHBKG-RDGPPVDQSA-N 1 0 389.971 4.030 20 0 GIADRO CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCOC3(CCSCC3)C2)[C@H]1Sc1ccccc1 ZINC000459428649 823190559 /nfs/dbraw/zinc/19/05/59/823190559.db2.gz BPICNFPOXQORGM-VBSBHUPXSA-N 1 0 393.618 4.359 20 0 GIADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)[C@H]2CCN(c3ccccc3Cl)C2)C1 ZINC000571487022 823190590 /nfs/dbraw/zinc/19/05/90/823190590.db2.gz VUECXRDAEMHBKG-ZSYWTGECSA-N 1 0 389.971 4.030 20 0 GIADRO COc1ccc([C@@H](OC)[C@H](C)[NH2+]Cc2c(C)nc3scc(C4CC4)n23)cc1 ZINC000459454842 823195518 /nfs/dbraw/zinc/19/55/18/823195518.db2.gz CGXCNDQUQMMRBC-XOBRGWDASA-N 1 0 385.533 4.456 20 0 GIADRO Cc1ccc(-n2ncc(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)c2C2CC2)cc1Cl ZINC000571489057 823190820 /nfs/dbraw/zinc/19/08/20/823190820.db2.gz WQTQSZCVHUWWET-HNNXBMFYSA-N 1 0 388.943 4.170 20 0 GIADRO COc1c(C)ccc(NC(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)c1C ZINC000571493982 823191882 /nfs/dbraw/zinc/19/18/82/823191882.db2.gz VSIBFCSOWIGNRZ-SFHVURJKSA-N 1 0 375.900 4.390 20 0 GIADRO O[C@H]1CCCC[C@H]1CCC[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459437073 823191917 /nfs/dbraw/zinc/19/19/17/823191917.db2.gz RILILZYZVFIPCY-AVRDEDQJSA-N 1 0 382.552 4.481 20 0 GIADRO COCCCOc1cccc(C[NH2+]Cc2c(C)nc3scc(C4CC4)n23)c1 ZINC000459442068 823192647 /nfs/dbraw/zinc/19/26/47/823192647.db2.gz CEQIARNRAQVPTC-UHFFFAOYSA-N 1 0 385.533 4.287 20 0 GIADRO Cc1c([C@H](C)[NH2+]C[C@H](C[C@@H](C)O)c2ccccc2)nnn1-c1cccc(Cl)c1 ZINC000121486020 823193038 /nfs/dbraw/zinc/19/30/38/823193038.db2.gz LKSHFRFXYMGWBE-GJYPPUQNSA-N 1 0 398.938 4.434 20 0 GIADRO CC(=O)Nc1c(C)ccc(NC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)c1C ZINC000056690371 823193375 /nfs/dbraw/zinc/19/33/75/823193375.db2.gz ZLNRTPLYZSFGFD-UHFFFAOYSA-N 1 0 396.535 4.424 20 0 GIADRO CN(CC[NH+](C)C)C(=O)c1cc(-c2nc3ccccc3s2)nc2ccccc21 ZINC000176372153 823193442 /nfs/dbraw/zinc/19/34/42/823193442.db2.gz XVCKNSKRVFZLNJ-UHFFFAOYSA-N 1 0 390.512 4.145 20 0 GIADRO CCOC(=O)c1noc(C[NH2+][C@H]2CCCCC[C@@H]2c2ccc(Cl)cc2)n1 ZINC000459453823 823195196 /nfs/dbraw/zinc/19/51/96/823195196.db2.gz NFBRZXJXBIDEFS-CVEARBPZSA-N 1 0 377.872 4.106 20 0 GIADRO Oc1cccc(C[NH2+][C@H]2CCO[C@H]2c2ccc(F)c(F)c2)c1Br ZINC000459453167 823195233 /nfs/dbraw/zinc/19/52/33/823195233.db2.gz ACRWVJISBGXVMV-YOEHRIQHSA-N 1 0 384.220 4.053 20 0 GIADRO CC1(c2ccccc2)CC([NH2+][C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)C1 ZINC000459459199 823196488 /nfs/dbraw/zinc/19/64/88/823196488.db2.gz HUMFYYDBVQDPDN-RZFJCUDFSA-N 1 0 376.479 4.109 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2coc(-c3ccc(OC)cc3)n2)C1)CC(F)(F)F ZINC000176393623 823197438 /nfs/dbraw/zinc/19/74/38/823197438.db2.gz UQWIILOYMDLGGK-OAHLLOKOSA-N 1 0 397.441 4.056 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2coc(-c3ccc(F)cc3)n2)C1)CC(F)(F)F ZINC000176393661 823197839 /nfs/dbraw/zinc/19/78/39/823197839.db2.gz ZEGXJOFLSRKWEW-AWEZNQCLSA-N 1 0 385.405 4.187 20 0 GIADRO C[C@H](c1ccccc1)[C@H](C)NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000176406214 823201457 /nfs/dbraw/zinc/20/14/57/823201457.db2.gz CITHJOSFZWPRIE-PMACEKPBSA-N 1 0 379.548 4.485 20 0 GIADRO Cc1cccc(C)c1NC(=O)C[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000571545052 823198668 /nfs/dbraw/zinc/19/86/68/823198668.db2.gz PFVNIFZRZYVBLC-WIYYLYMNSA-N 1 0 389.902 4.069 20 0 GIADRO Cc1ccc2snc(C(=O)N3CC[C@]4(CC[N@H+](Cc5ccccc5)C4)C3)c2c1 ZINC000571546526 823198841 /nfs/dbraw/zinc/19/88/41/823198841.db2.gz FFAIPWHAPJTVDM-QHCPKHFHSA-N 1 0 391.540 4.343 20 0 GIADRO CC(C)c1cc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc(=O)[nH]1 ZINC000121534981 823201295 /nfs/dbraw/zinc/20/12/95/823201295.db2.gz ADVRDLCQKITDOY-XLIONFOSSA-N 1 0 381.520 4.036 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2coc(-c3cccc(F)c3)n2)C1)CC(F)(F)F ZINC000176406446 823201332 /nfs/dbraw/zinc/20/13/32/823201332.db2.gz PKCXADPLGZAFGD-CQSZACIVSA-N 1 0 385.405 4.187 20 0 GIADRO C[NH+](C)CCOc1cnccc1CNC(=O)Nc1ccccc1-c1ccccc1 ZINC000571561248 823200432 /nfs/dbraw/zinc/20/04/32/823200432.db2.gz IXJABOBCKVQAKB-UHFFFAOYSA-N 1 0 390.487 4.011 20 0 GIADRO COc1cc(C[N@H+](C)Cc2ccc(F)c(C)c2)cc(OC)c1OCC(F)F ZINC000571567342 823201495 /nfs/dbraw/zinc/20/14/95/823201495.db2.gz GSXQWOSBXYZCGH-UHFFFAOYSA-N 1 0 383.410 4.427 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+]CCCNC(=O)c1cccs1)CCCS2 ZINC000188197370 823201903 /nfs/dbraw/zinc/20/19/03/823201903.db2.gz WEAZXSQNEDMXFW-MRXNPFEDSA-N 1 0 376.547 4.093 20 0 GIADRO Oc1cccc(C[NH2+]C[C@H]2CCCO[C@H]2c2ccccc2)c1Br ZINC000459483151 823202141 /nfs/dbraw/zinc/20/21/41/823202141.db2.gz YNHKYJOKYJLFNJ-APWZRJJASA-N 1 0 376.294 4.412 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(C(C)C)nn2-c2ccccc2)[C@H](C)C1 ZINC000571573003 823202252 /nfs/dbraw/zinc/20/22/52/823202252.db2.gz JWUCQVOKETULGA-XLIONFOSSA-N 1 0 383.540 4.190 20 0 GIADRO OCC[C@@H]([NH2+]C/C=C\c1ccc(OCc2ccccc2)cc1)C1CCOCC1 ZINC000459484652 823202366 /nfs/dbraw/zinc/20/23/66/823202366.db2.gz UOIZDVSAACEFGL-MKRXODRLSA-N 1 0 381.516 4.046 20 0 GIADRO CCOc1cc(C[N@H+](C)C[C@H](C)c2nccs2)cc(Br)c1O ZINC000459488387 823203015 /nfs/dbraw/zinc/20/30/15/823203015.db2.gz UNTBZTXUPVEDME-NSHDSACASA-N 1 0 385.327 4.245 20 0 GIADRO C[NH+](C)CCN(Cc1cccc(OCc2ccccc2F)c1)Cc1ccccn1 ZINC000571602969 823206599 /nfs/dbraw/zinc/20/65/99/823206599.db2.gz QVWSNQQYTOTJOT-UHFFFAOYSA-N 1 0 393.506 4.364 20 0 GIADRO COc1c2ccccc2[nH]c1C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000571588198 823204282 /nfs/dbraw/zinc/20/42/82/823204282.db2.gz AADVCKVEEJHREG-QGZVFWFLSA-N 1 0 383.536 4.293 20 0 GIADRO CSC[C@@H](CCO)[NH2+][C@H](C)c1ccc(Br)cc1C(F)(F)F ZINC000188216938 823204807 /nfs/dbraw/zinc/20/48/07/823204807.db2.gz PHCYZPXIPPVJTN-MWLCHTKSSA-N 1 0 386.277 4.233 20 0 GIADRO Cc1oc(-c2ccccc2)c(C(=O)NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1C ZINC000188216768 823204859 /nfs/dbraw/zinc/20/48/59/823204859.db2.gz MMTMLTGAGXUHDU-IRXDYDNUSA-N 1 0 384.520 4.183 20 0 GIADRO CC1CC[NH+]([C@H](CNC(=O)N2CCC[C@@H]2c2ccccn2)c2ccccc2)CC1 ZINC000056745918 823205483 /nfs/dbraw/zinc/20/54/83/823205483.db2.gz LFENARBFGGZWHJ-DHIUTWEWSA-N 1 0 392.547 4.401 20 0 GIADRO CCOc1cc(CNc2cccc3c2OCC[C@@H]3[NH+](C)C)cc(Cl)c1O ZINC000459501516 823205494 /nfs/dbraw/zinc/20/54/94/823205494.db2.gz ILRKIGURBNFSFT-KRWDZBQOSA-N 1 0 376.884 4.442 20 0 GIADRO COc1ccc(-c2noc([C@H](C)[N@@H+]3CC[C@]4(C3)CCc3ccccc3O4)n2)cc1 ZINC000571604792 823206963 /nfs/dbraw/zinc/20/69/63/823206963.db2.gz ZXFQRIDLJXXQBG-HJPURHCSSA-N 1 0 391.471 4.276 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1C[N@H+]1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC000459509969 823207561 /nfs/dbraw/zinc/20/75/61/823207561.db2.gz LEHHOIDHFSMWQX-QGZVFWFLSA-N 1 0 394.544 4.067 20 0 GIADRO Cc1occc1-c1nnc(SCCC[NH+]2CCCC2)n1Cc1ccccc1 ZINC000188236399 823207747 /nfs/dbraw/zinc/20/77/47/823207747.db2.gz KQANQTRPIUUEFB-UHFFFAOYSA-N 1 0 382.533 4.473 20 0 GIADRO CC1CC[NH+]([C@@H](CNC(=O)N2CCC(F)(F)[C@H](C)C2)c2cccs2)CC1 ZINC000571609653 823208149 /nfs/dbraw/zinc/20/81/49/823208149.db2.gz YPOLDDSVMOZNED-CVEARBPZSA-N 1 0 385.524 4.208 20 0 GIADRO CCc1c(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)cnn1C(C)(C)C ZINC000571609521 823208273 /nfs/dbraw/zinc/20/82/73/823208273.db2.gz SJYSFOFPZXOPMD-HXUWFJFHSA-N 1 0 396.579 4.233 20 0 GIADRO Cc1nc(CCCC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cs1 ZINC000176442982 823208750 /nfs/dbraw/zinc/20/87/50/823208750.db2.gz XGPWMJLIDNCKFC-SEJPIABJSA-N 1 0 383.561 4.086 20 0 GIADRO O=C(CC[NH+]1CCC2(CC1)OCCc1ccccc12)Nc1cccc(Cl)c1 ZINC000459528077 823212297 /nfs/dbraw/zinc/21/22/97/823212297.db2.gz QXLRHQHAQUAULT-UHFFFAOYSA-N 1 0 384.907 4.233 20 0 GIADRO Clc1cnn2cc(CC[NH2+][C@@H]3CCCOc4ccc(Cl)cc43)cnc12 ZINC000571614474 823209502 /nfs/dbraw/zinc/20/95/02/823209502.db2.gz CDSDXWCSJUCPIT-MRXNPFEDSA-N 1 0 377.275 4.082 20 0 GIADRO COc1ccccc1-c1cccc(NC(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000571623088 823210957 /nfs/dbraw/zinc/21/09/57/823210957.db2.gz HDAODUWHYFGXRA-RBUKOAKNSA-N 1 0 379.504 4.216 20 0 GIADRO Cc1c(NC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])cccc1C(=O)Nc1ccccc1 ZINC000571634951 823212504 /nfs/dbraw/zinc/21/25/04/823212504.db2.gz WDMAJSNIBBXPCO-UXHICEINSA-N 1 0 379.504 4.484 20 0 GIADRO CCOC(=O)c1noc(C[NH2+][C@@H](Cc2ccccc2C(F)(F)F)C(C)(C)C)n1 ZINC000459526283 823211615 /nfs/dbraw/zinc/21/16/15/823211615.db2.gz KAWXHKCQQFBSJU-AWEZNQCLSA-N 1 0 399.413 4.012 20 0 GIADRO CCOc1ccc([C@@H](COC)[NH2+]Cc2c(C)nc3scc(C4CC4)n23)cc1 ZINC000459527177 823211992 /nfs/dbraw/zinc/21/19/92/823211992.db2.gz PFMXZEUBFJJSSW-GOSISDBHSA-N 1 0 385.533 4.458 20 0 GIADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1cc(-c2ccccc2Cl)n(-c2ccccc2)n1 ZINC000571634200 823212718 /nfs/dbraw/zinc/21/27/18/823212718.db2.gz WKYSHXBODWYUAK-HZPDHXFCSA-N 1 0 394.906 4.002 20 0 GIADRO Brc1ccc(-n2cc(C[NH+]3CCC([C@H]4CCCO4)CC3)cn2)cc1 ZINC000188280139 823213525 /nfs/dbraw/zinc/21/35/25/823213525.db2.gz GMWZXRNFWCQUHB-LJQANCHMSA-N 1 0 390.325 4.026 20 0 GIADRO Cc1cccc(Cl)c1NC(=O)C[NH2+][C@@H](c1ccccc1)C1(CO)CCCC1 ZINC000459533199 823213550 /nfs/dbraw/zinc/21/35/50/823213550.db2.gz FGHCBEHDZMGVFE-NRFANRHFSA-N 1 0 386.923 4.471 20 0 GIADRO O=C(c1ccc2c[nH+]cn2c1)N1CCCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000571639414 823213658 /nfs/dbraw/zinc/21/36/58/823213658.db2.gz RSMSPAPOKBWJAE-SFHVURJKSA-N 1 0 379.851 4.231 20 0 GIADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000121601167 823214001 /nfs/dbraw/zinc/21/40/01/823214001.db2.gz OXHWKQRTSJYVLJ-SFHVURJKSA-N 1 0 394.519 4.038 20 0 GIADRO CSC[C@H](CCO)[NH2+]Cc1cn(-c2ccc(C)cc2)nc1-c1ccc(F)cc1 ZINC000571650641 823214679 /nfs/dbraw/zinc/21/46/79/823214679.db2.gz YTRLDOXWMQAQHH-FQEVSTJZSA-N 1 0 399.535 4.190 20 0 GIADRO CSC[C@@H](CCO)[NH2+]Cc1cn(-c2ccc(C)cc2)nc1-c1ccc(F)cc1 ZINC000571650643 823214930 /nfs/dbraw/zinc/21/49/30/823214930.db2.gz YTRLDOXWMQAQHH-HXUWFJFHSA-N 1 0 399.535 4.190 20 0 GIADRO [NH3+]CCC[C@H](NC(=O)NCc1ccc(OC2CCCCC2)nc1)c1ccccc1 ZINC000571656707 823215128 /nfs/dbraw/zinc/21/51/28/823215128.db2.gz XELFEWINPUMBAR-NRFANRHFSA-N 1 0 396.535 4.073 20 0 GIADRO COC(=O)c1cccc2c1CCN([C@@H](C)C(=O)Nc1c(C)cccc1C(C)C)C2 ZINC000459539123 823215306 /nfs/dbraw/zinc/21/53/06/823215306.db2.gz PKUBGNRBPFDJNO-KRWDZBQOSA-N 1 0 394.515 4.290 20 0 GIADRO O=C(COc1ccccc1C[N@@H+]1CC2(CCC2)[C@H]1c1ccccc1)N1CCCC1 ZINC000571660991 823215768 /nfs/dbraw/zinc/21/57/68/823215768.db2.gz JBGQUBBUCPWPOM-XMMPIXPASA-N 1 0 390.527 4.415 20 0 GIADRO CN(Cc1ccccc1NC(=O)NCC[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000459543547 823216376 /nfs/dbraw/zinc/21/63/76/823216376.db2.gz MPXKKOGYCHJJNN-LJQANCHMSA-N 1 0 380.536 4.176 20 0 GIADRO CCOc1cc(C[NH2+]CC2(c3ccccn3)CCC2)cc(Br)c1O ZINC000459550715 823218231 /nfs/dbraw/zinc/21/82/31/823218231.db2.gz QIOMBCFFLWVPQD-UHFFFAOYSA-N 1 0 391.309 4.160 20 0 GIADRO C[C@H]1C[C@H](NC(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)C[N@@H+]1C1CC1 ZINC000188301128 823216513 /nfs/dbraw/zinc/21/65/13/823216513.db2.gz FCRFJYSDNFDCOK-STQMWFEESA-N 1 0 394.393 4.200 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)N[C@@H](c1ccco1)c1ccccc1 ZINC000056812442 823218275 /nfs/dbraw/zinc/21/82/75/823218275.db2.gz IIWRCLJLZIJKPD-JOCHJYFZSA-N 1 0 395.478 4.282 20 0 GIADRO O=C(Nc1ccc(SCC[NH+]2CCCCC2)cc1)N1CCCSCC1 ZINC000571676202 823217617 /nfs/dbraw/zinc/21/76/17/823217617.db2.gz FNXMBJLHVVUODR-UHFFFAOYSA-N 1 0 379.595 4.235 20 0 GIADRO CCOC1CC([N@H+](C)Cc2cc(Br)c(OC(F)F)c(OC)c2)C1 ZINC000571691439 823219435 /nfs/dbraw/zinc/21/94/35/823219435.db2.gz WCQCSUIAHQTPDW-UHFFFAOYSA-N 1 0 394.256 4.058 20 0 GIADRO CC(C)c1csc(NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000571690939 823219469 /nfs/dbraw/zinc/21/94/69/823219469.db2.gz PTJURCLIJFAWTD-ROUUACIJSA-N 1 0 384.549 4.252 20 0 GIADRO CC(C)c1nnc(CC[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)s1 ZINC000459555792 823219524 /nfs/dbraw/zinc/21/95/24/823219524.db2.gz IUPKJSJNECPZCQ-UHFFFAOYSA-N 1 0 396.564 4.367 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1C[NH2+]C[C@@H](CO)c1ccccc1Cl ZINC000459557085 823219743 /nfs/dbraw/zinc/21/97/43/823219743.db2.gz GQRWFWRLXUSVCY-AWEZNQCLSA-N 1 0 375.925 4.101 20 0 GIADRO Oc1cccc(C[NH2+]C2(Cc3ccccc3)CCOCC2)c1Br ZINC000459556572 823219804 /nfs/dbraw/zinc/21/98/04/823219804.db2.gz ALYDVPLHMWSBCJ-UHFFFAOYSA-N 1 0 376.294 4.036 20 0 GIADRO Oc1cccc(C[NH2+][C@@H]2c3ccccc3CC23CCOCC3)c1Br ZINC000459557182 823219837 /nfs/dbraw/zinc/21/98/37/823219837.db2.gz CTMNSIJFPCZXDD-LJQANCHMSA-N 1 0 388.305 4.339 20 0 GIADRO Cc1c(C[NH2+][C@H](C)c2ccc(Br)cc2C(F)(F)F)cnn1C ZINC000188325847 823219859 /nfs/dbraw/zinc/21/98/59/823219859.db2.gz WLIYHFXFRHOEJM-SECBINFHSA-N 1 0 376.220 4.361 20 0 GIADRO CCOc1cc(C[NH2+]C2(Cc3ccccc3)CCOCC2)cc(Cl)c1O ZINC000459559456 823220062 /nfs/dbraw/zinc/22/00/62/823220062.db2.gz INSLRDRRDQYRJA-UHFFFAOYSA-N 1 0 375.896 4.326 20 0 GIADRO Brc1ccc(C[N@@H+]2CC3(CCC3)[C@@H]2C2CC2)c(N2CCOCC2)c1 ZINC000571697104 823220385 /nfs/dbraw/zinc/22/03/85/823220385.db2.gz PSXCFZSRUIHETD-IBGZPJMESA-N 1 0 391.353 4.050 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc(OCC2CC2)c(F)c1)c1cccc(-n2cnnn2)c1 ZINC000121639075 823220624 /nfs/dbraw/zinc/22/06/24/823220624.db2.gz AATGAFIEMFVNRY-HUUCEWRRSA-N 1 0 381.455 4.002 20 0 GIADRO C[C@H](C(=O)NCc1cccs1)[NH+]1CCC(c2ccnc3ccccc32)CC1 ZINC000571697206 823220641 /nfs/dbraw/zinc/22/06/41/823220641.db2.gz COOBCNKEBSCARI-MRXNPFEDSA-N 1 0 379.529 4.181 20 0 GIADRO CCOc1cc(C[NH2+][C@H]2c3ccccc3O[C@H]2C)cc(Br)c1O ZINC000459562190 823220747 /nfs/dbraw/zinc/22/07/47/823220747.db2.gz ATWSAEXGQIZTKS-APPDUMDISA-N 1 0 378.266 4.165 20 0 GIADRO Brc1cnn(C2CC[NH+](C[C@@H]3CCC4(CCCCC4)O3)CC2)c1 ZINC000409447900 823221323 /nfs/dbraw/zinc/22/13/23/823221323.db2.gz FHKQOGYZIQJZNT-KRWDZBQOSA-N 1 0 382.346 4.164 20 0 GIADRO CC(C)c1cc(C(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)nn1C(C)(C)C ZINC000409450983 823221339 /nfs/dbraw/zinc/22/13/39/823221339.db2.gz CQUUEACVCQNJJU-MJGOQNOKSA-N 1 0 382.552 4.327 20 0 GIADRO C[NH+](C)CCN(Cc1ccco1)Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459565834 823221453 /nfs/dbraw/zinc/22/14/53/823221453.db2.gz UCKJUWUKXPPZLR-UHFFFAOYSA-N 1 0 393.535 4.217 20 0 GIADRO O=C1CCCN1[C@H]1CCC[C@@H]([NH2+]Cc2cccc(OCc3ccccc3)c2)C1 ZINC000571703229 823221697 /nfs/dbraw/zinc/22/16/97/823221697.db2.gz ZNJVMZJYPOWNON-YADHBBJMSA-N 1 0 378.516 4.289 20 0 GIADRO CCCC(=O)N1CCC[C@H](C(=O)Nc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)C1 ZINC000056847991 823223164 /nfs/dbraw/zinc/22/31/64/823223164.db2.gz DIZPIAUHYIEGJV-ICSRJNTNSA-N 1 0 385.552 4.038 20 0 GIADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459567834 823221933 /nfs/dbraw/zinc/22/19/33/823221933.db2.gz WLVLSJLOZIELQY-AVRDEDQJSA-N 1 0 379.552 4.119 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@@H](c3ccncc3)C2)[C@H]1Sc1ccccc1 ZINC000459570960 823222737 /nfs/dbraw/zinc/22/27/37/823222737.db2.gz NHQOIQICWMFWFQ-XBJCXQGOSA-N 1 0 384.545 4.230 20 0 GIADRO Cc1n[nH]c(C)c1[C@@H]1CCCCC[N@H+]1Cc1ccccc1N1CCO[C@@H](C)C1 ZINC000459552493 823218882 /nfs/dbraw/zinc/21/88/82/823218882.db2.gz ULBGLJDUDZFNEL-JTSKRJEESA-N 1 0 382.552 4.369 20 0 GIADRO C[NH+](C)CCC1CCN(C(=O)NCc2ccc(OCc3ccccc3)cc2)CC1 ZINC000056846277 823222870 /nfs/dbraw/zinc/22/28/70/823222870.db2.gz VHYONZZRQVWKJJ-UHFFFAOYSA-N 1 0 395.547 4.139 20 0 GIADRO COc1ccc(Cl)cc1CN(C)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176487417 823219164 /nfs/dbraw/zinc/21/91/64/823219164.db2.gz SNGZHBIYKLVOHW-UHFFFAOYSA-N 1 0 393.959 4.287 20 0 GIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)Cn2ccc3ccc(Cl)cc32)C1 ZINC000409458057 823223633 /nfs/dbraw/zinc/22/36/33/823223633.db2.gz YUQGLGCKGRLTNF-OXJNMPFZSA-N 1 0 381.907 4.246 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)c2ccc3c(C)cc(=O)[nH]c3c2)CC1 ZINC000571719475 823224268 /nfs/dbraw/zinc/22/42/68/823224268.db2.gz TUOZWEHUQQDULN-UHFFFAOYSA-N 1 0 383.536 4.223 20 0 GIADRO C[C@H](c1ccc(S(C)(=O)=O)cc1)N1CCC([NH2+]C2CC(C(C)(C)C)C2)CC1 ZINC000459582453 823224982 /nfs/dbraw/zinc/22/49/82/823224982.db2.gz RQBVKBIHVVZXKA-PPDQVPDSSA-N 1 0 392.609 4.030 20 0 GIADRO CCOc1cc(C[NH2+]C2(Cc3ccc(F)cc3Cl)CCOCC2)ccc1O ZINC000459580900 823225058 /nfs/dbraw/zinc/22/50/58/823225058.db2.gz BPLQPZILYIGLRF-UHFFFAOYSA-N 1 0 393.886 4.465 20 0 GIADRO CC(=O)Nc1ccc(C)c(C(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)c1 ZINC000188359614 823225382 /nfs/dbraw/zinc/22/53/82/823225382.db2.gz JSFHGINOSDASDL-UHFFFAOYSA-N 1 0 379.504 4.438 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CCCNC(=O)[C@@H]2CC=CCC2)cc1 ZINC000409463168 823225490 /nfs/dbraw/zinc/22/54/90/823225490.db2.gz CZRQOXKMCOEXOE-TZIWHRDSSA-N 1 0 397.563 4.252 20 0 GIADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)c2cnc3cnccc3c2)C1 ZINC000409464172 823225867 /nfs/dbraw/zinc/22/58/67/823225867.db2.gz IODSLIJZDOZZJN-QZTJIDSGSA-N 1 0 388.515 4.038 20 0 GIADRO Cc1ccc(C(=O)C2CCN(C(=O)NCCCC[N@H+]3CCCC[C@H]3C)CC2)cc1 ZINC000056868797 823225962 /nfs/dbraw/zinc/22/59/62/823225962.db2.gz OAJIGFNBJXOQJB-HXUWFJFHSA-N 1 0 399.579 4.254 20 0 GIADRO C[NH+]1CCC(Nc2ccccc2NC(=O)CCc2ncc(C(C)(C)C)o2)CC1 ZINC000188366734 823226907 /nfs/dbraw/zinc/22/69/07/823226907.db2.gz YGCRNNQQDUHNIV-UHFFFAOYSA-N 1 0 384.524 4.050 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2Cl)c1 ZINC000121681193 823229543 /nfs/dbraw/zinc/22/95/43/823229543.db2.gz MNUSMAKLDHQYMQ-KBPBESRZSA-N 1 0 383.883 4.291 20 0 GIADRO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1(Cc2ccccc2F)CC1 ZINC000188380996 823230133 /nfs/dbraw/zinc/23/01/33/823230133.db2.gz GBAGDBWVVNDFPC-FRIKZZABSA-N 1 0 392.518 4.460 20 0 GIADRO Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)C(C)(C)C[NH3+] ZINC000571754836 823230203 /nfs/dbraw/zinc/23/02/03/823230203.db2.gz WLNOCCVAOPYJNH-UHFFFAOYSA-N 1 0 393.409 4.190 20 0 GIADRO CC[C@H](NC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1)c1nccs1 ZINC000121684371 823230292 /nfs/dbraw/zinc/23/02/92/823230292.db2.gz GAJBSRNITDBPPU-JKSUJKDBSA-N 1 0 392.594 4.428 20 0 GIADRO C[NH+](C)Cc1ccccc1NC(=O)CSCc1coc(-c2ccccc2)n1 ZINC000056930687 823232335 /nfs/dbraw/zinc/23/23/35/823232335.db2.gz VAJNEUIQQJXCMV-UHFFFAOYSA-N 1 0 381.501 4.275 20 0 GIADRO C[C@H](CCCc1cccnc1)[NH2+][C@@H](C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000459630504 823232671 /nfs/dbraw/zinc/23/26/71/823232671.db2.gz ANJASCCHYVVQBT-CABCVRRESA-N 1 0 377.435 4.011 20 0 GIADRO CN(CC(F)(F)F)C(=O)N(CC[N@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC000409511332 823237463 /nfs/dbraw/zinc/23/74/63/823237463.db2.gz DKIYTFAGHDIFIB-UHFFFAOYSA-N 1 0 393.453 4.235 20 0 GIADRO Cc1oc(-c2ccccc2)nc1CC(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000176548859 823234880 /nfs/dbraw/zinc/23/48/80/823234880.db2.gz MWWNXDRUMQGGQK-UHFFFAOYSA-N 1 0 383.536 4.067 20 0 GIADRO C[C@@H](CCCc1cccnc1)[NH2+]CC(=O)N(C)[C@@H](C)c1cc2ccccc2o1 ZINC000459641561 823235944 /nfs/dbraw/zinc/23/59/44/823235944.db2.gz RFGIPBZMXFPFGJ-ROUUACIJSA-N 1 0 379.504 4.348 20 0 GIADRO COc1ccccc1NC(=O)C[C@H](C)[NH2+]CCc1cccc(Br)c1 ZINC000459641973 823236047 /nfs/dbraw/zinc/23/60/47/823236047.db2.gz MPFAIRQXFBKEMT-AWEZNQCLSA-N 1 0 391.309 4.007 20 0 GIADRO C[C@H](CCCc1cccnc1)[NH2+]CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000459645664 823237099 /nfs/dbraw/zinc/23/70/99/823237099.db2.gz RCINOIAURROTOY-CYBMUJFWSA-N 1 0 397.853 4.276 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000121722397 823237258 /nfs/dbraw/zinc/23/72/58/823237258.db2.gz CADSCLGFXSJRCY-DYXWJJEUSA-N 1 0 398.938 4.093 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C2(Cc3ccccc3F)CC2)CC1 ZINC000188418342 823238054 /nfs/dbraw/zinc/23/80/54/823238054.db2.gz FTKWPTBMUSBEPY-SFHVURJKSA-N 1 0 380.507 4.490 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1)c1nc2c(s1)CCC2 ZINC000459647517 823238079 /nfs/dbraw/zinc/23/80/79/823238079.db2.gz KCGLPIFYDQMZBC-UONOGXRCSA-N 1 0 391.968 4.373 20 0 GIADRO C[C@H](CCCc1cccnc1)[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000459648675 823238347 /nfs/dbraw/zinc/23/83/47/823238347.db2.gz VAZOVZRZIAHCON-PBHICJAKSA-N 1 0 383.319 4.129 20 0 GIADRO CC[NH+]1CCC(CNC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)CC1 ZINC000057001297 823238972 /nfs/dbraw/zinc/23/89/72/823238972.db2.gz XSYUOMBBNFJVFC-UHFFFAOYSA-N 1 0 389.499 4.470 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)CCCc1cccnc1)C(=O)Nc1ccccc1OC(F)F ZINC000459650608 823239323 /nfs/dbraw/zinc/23/93/23/823239323.db2.gz YGFUGBHETPFHIT-LSDHHAIUSA-N 1 0 377.435 4.011 20 0 GIADRO Cc1ccc2c(CCNC(=O)c3oc4ccccc4c3C[NH+](C)C)cn(C)c2c1 ZINC000188434797 823240309 /nfs/dbraw/zinc/24/03/09/823240309.db2.gz GBDGMFHYLZZQIP-UHFFFAOYSA-N 1 0 389.499 4.267 20 0 GIADRO CC(C)n1cc(NC(=O)N[C@@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)cn1 ZINC000571826277 823240244 /nfs/dbraw/zinc/24/02/44/823240244.db2.gz XENBOWYHADQMFG-FQEVSTJZSA-N 1 0 383.540 4.059 20 0 GIADRO Cc1nccnc1[C@@H](C)[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000188448845 823242623 /nfs/dbraw/zinc/24/26/23/823242623.db2.gz URJUDBQMTHBKET-CQSZACIVSA-N 1 0 379.335 4.407 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2c[nH]c(C(F)(F)F)c2)C1 ZINC000571828774 823240784 /nfs/dbraw/zinc/24/07/84/823240784.db2.gz JKGAOODXHCYJSA-AWEZNQCLSA-N 1 0 379.426 4.195 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)c2cnc(Cl)c(Cl)c2)CC[N@@H+]1Cc1ccccc1 ZINC000176582563 823241591 /nfs/dbraw/zinc/24/15/91/823241591.db2.gz GBZZBEYZKUEQHY-CZUORRHYSA-N 1 0 378.303 4.171 20 0 GIADRO C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H](C)c1nc2c(s1)CCC2 ZINC000459657562 823242081 /nfs/dbraw/zinc/24/20/81/823242081.db2.gz XFHLTBVOKWHWPW-GJZGRUSLSA-N 1 0 397.544 4.137 20 0 GIADRO C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@H](C)c1nc2c(s1)CCC2 ZINC000459657564 823242176 /nfs/dbraw/zinc/24/21/76/823242176.db2.gz XFHLTBVOKWHWPW-HUUCEWRRSA-N 1 0 397.544 4.137 20 0 GIADRO Cc1ccsc1C[N@@H+]1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000121748794 823242339 /nfs/dbraw/zinc/24/23/39/823242339.db2.gz XSWINLVTCLKNDO-ZDUSSCGKSA-N 1 0 380.439 4.498 20 0 GIADRO CCCOC1(c2noc([C@H]3CCC[N@H+](Cc4cccnc4)C3)n2)CCCCC1 ZINC000571840569 823242975 /nfs/dbraw/zinc/24/29/75/823242975.db2.gz DPICWYMJRFVBHY-IBGZPJMESA-N 1 0 384.524 4.430 20 0 GIADRO CCOc1ccccc1OCC[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459660873 823243502 /nfs/dbraw/zinc/24/35/02/823243502.db2.gz LTFXSMZXNHQRQR-SFHVURJKSA-N 1 0 387.442 4.145 20 0 GIADRO C[NH+]1CCN(Cc2cccc(NC(=O)CCCC[C@@H]3CCSS3)c2)CC1 ZINC000057054096 823243848 /nfs/dbraw/zinc/24/38/48/823243848.db2.gz DQDUBORPBMDCAS-LJQANCHMSA-N 1 0 393.622 4.087 20 0 GIADRO Cc1n[nH]cc1CCC[NH2+]Cc1cc(C(F)(F)F)ccc1Br ZINC000571845887 823244389 /nfs/dbraw/zinc/24/43/89/823244389.db2.gz ZVVSYVRBEVHXTA-UHFFFAOYSA-N 1 0 376.220 4.222 20 0 GIADRO Cc1cc(C(F)(F)F)nn1CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000571844703 823244400 /nfs/dbraw/zinc/24/44/00/823244400.db2.gz HNUKUXSBHQHUFF-AWEZNQCLSA-N 1 0 394.441 4.081 20 0 GIADRO O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)c1ccoc1C(F)(F)F ZINC000571846242 823244573 /nfs/dbraw/zinc/24/45/73/823244573.db2.gz UMBHJPOVFIKTED-UHFFFAOYSA-N 1 0 382.382 4.415 20 0 GIADRO COCc1nc(CN[C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cs1 ZINC000571845084 823244591 /nfs/dbraw/zinc/24/45/91/823244591.db2.gz UGWCLROFYUBZDD-SESVDKBCSA-N 1 0 385.577 4.070 20 0 GIADRO Cc1cc(C[NH2+]C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1Br ZINC000459666239 823245816 /nfs/dbraw/zinc/24/58/16/823245816.db2.gz REDXDDXWWSFNTD-CQSZACIVSA-N 1 0 396.350 4.054 20 0 GIADRO CC[C@@H](C)[NH2+][C@H](CNC(=O)Nc1cc(OC)c(Cl)c(OC)c1)c1ccco1 ZINC000459666391 823245832 /nfs/dbraw/zinc/24/58/32/823245832.db2.gz MNHBYJSZHKUMKM-TZMCWYRMSA-N 1 0 395.887 4.201 20 0 GIADRO C[C@@H](NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)c1ccc(-c2cccnc2)cc1 ZINC000176603479 823246414 /nfs/dbraw/zinc/24/64/14/823246414.db2.gz SMKVUQUKRCCQIA-AUSIDOKSSA-N 1 0 392.547 4.470 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)N[C@H](C)c2ccc(-c3cccnc3)cc2)CC1 ZINC000176606177 823247011 /nfs/dbraw/zinc/24/70/11/823247011.db2.gz RYUUXQVLQUVKFK-GOSISDBHSA-N 1 0 380.536 4.325 20 0 GIADRO C=CCNC(=S)C(C(=O)c1cc(Cl)ccc1Cl)[n+]1ccc(C)cc1 ZINC000121777873 823248474 /nfs/dbraw/zinc/24/84/74/823248474.db2.gz NBSHYOBWEFCTMA-UHFFFAOYSA-O 1 0 380.320 4.304 20 0 GIADRO Cc1ccc([C@@H]2CCCCN2C(=O)NC2CC[NH+](CCOC(C)C)CC2)cc1 ZINC000176611346 823248632 /nfs/dbraw/zinc/24/86/32/823248632.db2.gz GRIIVZPZANEMFH-QFIPXVFZSA-N 1 0 387.568 4.121 20 0 GIADRO Cc1ncc(C[NH2+][C@@H](C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)o1 ZINC000459677742 823248699 /nfs/dbraw/zinc/24/86/99/823248699.db2.gz QAAZNMKJQYMGQP-VIFPVBQESA-N 1 0 375.778 4.162 20 0 GIADRO CCOc1cc(C[NH2+]Cc2ccc(C)c(C)n2)cc(Br)c1OC ZINC000459678494 823249020 /nfs/dbraw/zinc/24/90/20/823249020.db2.gz WDOVXWIZESSAJF-UHFFFAOYSA-N 1 0 379.298 4.158 20 0 GIADRO Cc1ncc(C[NH2+][C@@H](C)COc2ccc3cc(Br)ccc3c2)o1 ZINC000459678650 823249029 /nfs/dbraw/zinc/24/90/29/823249029.db2.gz RYQPKDXVLMDOAZ-LBPRGKRZSA-N 1 0 375.266 4.456 20 0 GIADRO C[C@H](C[NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl)c1ccc(S(C)(=O)=O)cc1 ZINC000459696103 823252457 /nfs/dbraw/zinc/25/24/57/823252457.db2.gz HGFUDAURJPBJPQ-CDHAZOANSA-N 1 0 381.900 4.132 20 0 GIADRO Cc1cccc(-n2ccn(CN3CC[NH+](CCc4cccs4)CC3)c2=S)c1 ZINC000057104534 823250038 /nfs/dbraw/zinc/25/00/38/823250038.db2.gz NQZVFWBCWGGRIU-UHFFFAOYSA-N 1 0 398.601 4.196 20 0 GIADRO Cc1c2ccccc2oc1C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000057113497 823250196 /nfs/dbraw/zinc/25/01/96/823250196.db2.gz KFIIBTGDEYVDBL-UHFFFAOYSA-N 1 0 391.515 4.073 20 0 GIADRO COc1cccc(CNC(=O)c2ccc(CC[NH+](C)C)cc2)c1OC1CCCC1 ZINC000571896266 823250602 /nfs/dbraw/zinc/25/06/02/823250602.db2.gz VIPQUBZRXRGXQF-UHFFFAOYSA-N 1 0 396.531 4.051 20 0 GIADRO Cc1nc(C)c(C[NH2+]C[C@@H](O)COC(c2ccccc2)c2ccccc2)s1 ZINC000571910204 823252861 /nfs/dbraw/zinc/25/28/61/823252861.db2.gz LQYHDAJMRDLORZ-HXUWFJFHSA-N 1 0 382.529 4.017 20 0 GIADRO CN(CCC(F)(F)F)[C@@H](C[NH2+]CC[C@H]1CCOC1)c1ccc(Cl)cc1 ZINC000571900210 823251330 /nfs/dbraw/zinc/25/13/30/823251330.db2.gz NRNDMTZSTIPJPK-YOEHRIQHSA-N 1 0 378.866 4.282 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1ccc(Oc2ccccc2)cc1 ZINC000057165657 823257656 /nfs/dbraw/zinc/25/76/56/823257656.db2.gz CKGOABOWAILWSG-UHFFFAOYSA-N 1 0 387.483 4.268 20 0 GIADRO CC[C@@H](C)[NH2+][C@H](CNC(=O)Cc1nc(-c2ccccc2)oc1C)c1ccco1 ZINC000571914111 823253094 /nfs/dbraw/zinc/25/30/94/823253094.db2.gz QPUUGORPIIPZFO-DNVCBOLYSA-N 1 0 381.476 4.031 20 0 GIADRO COc1ccc(C[NH2+][C@H]2c3sccc3OC(C)(C)[C@@H]2O)cc1OCC(C)C ZINC000459701451 823253302 /nfs/dbraw/zinc/25/33/02/823253302.db2.gz ODXMGUUUTSTRIQ-AZUAARDMSA-N 1 0 391.533 4.154 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)Cc1csc(COc2ccccc2)n1 ZINC000459730867 823257909 /nfs/dbraw/zinc/25/79/09/823257909.db2.gz BZFQKLNUTJTNGD-UHFFFAOYSA-N 1 0 387.574 4.347 20 0 GIADRO O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@H]([NH2+]C2CCC(C(F)F)CC2)C1 ZINC000459718426 823256278 /nfs/dbraw/zinc/25/62/78/823256278.db2.gz UUMZTGGKSVJLRT-SJJHQCBESA-N 1 0 390.474 4.397 20 0 GIADRO COC1(C)CC[NH+](CC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)CC1 ZINC000571935271 823256782 /nfs/dbraw/zinc/25/67/82/823256782.db2.gz KXIDIFLPSHBPML-NRFANRHFSA-N 1 0 386.923 4.047 20 0 GIADRO CCOC(=O)CC1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000000575877 817372879 /nfs/dbraw/zinc/37/28/79/817372879.db2.gz LRPAEWGHKZNZQS-UHFFFAOYSA-N 1 0 381.516 4.458 20 0 GIADRO CC(C)(C)[NH+]1CCC(NC(=O)C2(c3cc(F)cc(C(F)(F)F)c3)CC2)CC1 ZINC000188535048 823258882 /nfs/dbraw/zinc/25/88/82/823258882.db2.gz OMJHGTXXONZWSD-UHFFFAOYSA-N 1 0 386.433 4.255 20 0 GIADRO C[C@H](CC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)N1CCCCC1=O ZINC000188538371 823259304 /nfs/dbraw/zinc/25/93/04/823259304.db2.gz RXZHHIJLRJFKIT-GOSISDBHSA-N 1 0 385.552 4.181 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)cc(OC)c1OC ZINC000121829971 823259326 /nfs/dbraw/zinc/25/93/26/823259326.db2.gz LBFOUIRUPWZLGL-HUUCEWRRSA-N 1 0 398.503 4.473 20 0 GIADRO O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000057175099 823259373 /nfs/dbraw/zinc/25/93/73/823259373.db2.gz WQKPSXYVABIIBT-QHCPKHFHSA-N 1 0 394.515 4.095 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)Cc3cnc4ccccc4c3)C2)s1 ZINC000571954057 823259622 /nfs/dbraw/zinc/25/96/22/823259622.db2.gz WJYOSAAYIVKWBB-GOSISDBHSA-N 1 0 393.556 4.128 20 0 GIADRO Cc1ccc(C[C@@H]([NH2+][C@@H](C)c2cccc(-n3cnnn3)c2)c2ccccn2)cc1 ZINC000121833240 823259694 /nfs/dbraw/zinc/25/96/94/823259694.db2.gz BWKDVXXSJHOGQQ-FDDCHVKYSA-N 1 0 384.487 4.000 20 0 GIADRO OC[C@H](C[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)c1cccnc1 ZINC000571954930 823259752 /nfs/dbraw/zinc/25/97/52/823259752.db2.gz RIZWZLZFSPDKRO-INIZCTEOSA-N 1 0 376.378 4.226 20 0 GIADRO CO[C@H]1C[C@@H]([NH2+]CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)C12CCC2 ZINC000459774771 823263216 /nfs/dbraw/zinc/26/32/16/823263216.db2.gz UHEFNFPWBJQRFZ-OLZOCXBDSA-N 1 0 377.699 4.133 20 0 GIADRO Fc1cccc(C2CC([NH2+][C@@H]3CCO[C@H]3c3cncc(Br)c3)C2)c1 ZINC000459751725 823260421 /nfs/dbraw/zinc/26/04/21/823260421.db2.gz BFVJJRDZVHUJRI-NZFXJPAUSA-N 1 0 391.284 4.349 20 0 GIADRO C[C@H](CCc1ccc(F)cc1)[NH2+][C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000459755824 823261005 /nfs/dbraw/zinc/26/10/05/823261005.db2.gz FXDDKMZMUHJKRM-ZNOIYHFQSA-N 1 0 393.300 4.424 20 0 GIADRO C[C@@H](C[NH2+][C@@H]1CCO[C@H]1c1cncc(Br)c1)c1ccc(F)cc1 ZINC000459756625 823261051 /nfs/dbraw/zinc/26/10/51/823261051.db2.gz GNOALSQVRZBPQP-RZAIGCCYSA-N 1 0 379.273 4.207 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1)[C@H]1CCCOC1 ZINC000459759558 823261572 /nfs/dbraw/zinc/26/15/72/823261572.db2.gz SSNOZXMZZGYEOW-QOFIPBISSA-N 1 0 382.523 4.198 20 0 GIADRO Cc1cc(NC2CCN(C(=O)c3ccccc3Cl)CC2)ccc1C[NH+](C)C ZINC000459765250 823262287 /nfs/dbraw/zinc/26/22/87/823262287.db2.gz OWTWHPOTSRATIN-UHFFFAOYSA-N 1 0 385.939 4.427 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)c1csc(-c2ccoc2)n1 ZINC000409616544 823262612 /nfs/dbraw/zinc/26/26/12/823262612.db2.gz GBPJDNCPBZKMBO-UHFFFAOYSA-N 1 0 399.541 4.247 20 0 GIADRO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459772058 823262754 /nfs/dbraw/zinc/26/27/54/823262754.db2.gz UDQSXGNRTHVBQL-SIKLNZKXSA-N 1 0 389.490 4.140 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccccc2-n2cccn2)cc1 ZINC000121855082 823263679 /nfs/dbraw/zinc/26/36/79/823263679.db2.gz WGPOCNMXNKJFMA-SJORKVTESA-N 1 0 398.532 4.046 20 0 GIADRO O=C(NCc1ccc2c[nH+]cn2c1)N1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000571977709 823264581 /nfs/dbraw/zinc/26/45/81/823264581.db2.gz BAQKGXMFKXJKTK-UHFFFAOYSA-N 1 0 391.450 4.044 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)C1(c2cccc(F)c2)CCOCC1 ZINC000057208357 823264737 /nfs/dbraw/zinc/26/47/37/823264737.db2.gz XTJDDFFCGUHMJD-UHFFFAOYSA-N 1 0 396.506 4.499 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(C)(C)Cc1nc2ccccc2[nH]1 ZINC000409636891 823269402 /nfs/dbraw/zinc/26/94/02/823269402.db2.gz VMJDVKZINJLNIJ-UHFFFAOYSA-N 1 0 392.547 4.242 20 0 GIADRO COc1ccccc1CSc1ccccc1NC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000571982210 823265223 /nfs/dbraw/zinc/26/52/23/823265223.db2.gz XJWVIUBEEAMABK-SJLPKXTDSA-N 1 0 397.544 4.061 20 0 GIADRO O=C(CCC[N@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1)c1ccc(Br)cc1 ZINC000459797288 823265847 /nfs/dbraw/zinc/26/58/47/823265847.db2.gz RYKRUPGGLHTVCT-AZUAARDMSA-N 1 0 394.353 4.285 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCCC(F)(F)C1 ZINC000409629122 823266432 /nfs/dbraw/zinc/26/64/32/823266432.db2.gz GUTUPKCEDFBEAO-PMACEKPBSA-N 1 0 393.522 4.366 20 0 GIADRO CN(C(=O)C[N@@H+]1CC[C@H](c2cccnc2)C1)C(c1ccccc1)c1ccccc1 ZINC000571998029 823267571 /nfs/dbraw/zinc/26/75/71/823267571.db2.gz LUYMTMNWOIWZEC-QHCPKHFHSA-N 1 0 385.511 4.119 20 0 GIADRO CSc1ccccc1[C@@H](C)NC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000409633095 823267629 /nfs/dbraw/zinc/26/76/29/823267629.db2.gz VDEMJVAIEQPURC-IEBWSBKVSA-N 1 0 383.561 4.291 20 0 GIADRO CC(C)OCC[NH+]1CCC(NC(=O)c2sc3ccccc3c2Cl)CC1 ZINC000176685684 823267722 /nfs/dbraw/zinc/26/77/22/823267722.db2.gz DURBRODGOBNHLK-UHFFFAOYSA-N 1 0 380.941 4.174 20 0 GIADRO CC1CCC(OC2CCN(C(=O)[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000572012868 823269289 /nfs/dbraw/zinc/26/92/89/823269289.db2.gz XWBLVUCIAKYEEK-NJEKYYFSSA-N 1 0 384.564 4.095 20 0 GIADRO c1cc(NC2CC[NH+](C3CCCCC3)CC2)ccc1Cc1nnc2n1CCC2 ZINC000188600839 823270331 /nfs/dbraw/zinc/27/03/31/823270331.db2.gz CISNIGSYMFYUAU-UHFFFAOYSA-N 1 0 379.552 4.024 20 0 GIADRO CC(C)OCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2Cl)CC1 ZINC000176698441 823270485 /nfs/dbraw/zinc/27/04/85/823270485.db2.gz XZSWYTJEXNNUJZ-DLBZAZTESA-N 1 0 399.362 4.103 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)N([C@@H](C)C(C)C)C3CC3)CC2)cc1 ZINC000121889904 823270960 /nfs/dbraw/zinc/27/09/60/823270960.db2.gz YDOIRWPNHVQIIC-SFHVURJKSA-N 1 0 387.568 4.126 20 0 GIADRO C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)c3cnn([C@@H]4CCC[NH2+]C4)c3)c2)C1 ZINC000572026471 823271161 /nfs/dbraw/zinc/27/11/61/823271161.db2.gz KFSJVYYFZBHTPE-YHYVQYDKSA-N 1 0 396.535 4.155 20 0 GIADRO CC(=O)c1ccc(Oc2ccc(C(=O)NC[C@H]3CC[C@H](C[NH3+])CC3)cc2)cc1 ZINC000572035756 823272324 /nfs/dbraw/zinc/27/23/24/823272324.db2.gz MPFOMQWAQGDFDO-IYARVYRRSA-N 1 0 380.488 4.176 20 0 GIADRO CC(C)CC[N@@H+]1Cc2cccc(NC(=O)CCCNC(=O)[C@@H]3CC=CCC3)c2C1 ZINC000409646596 823272466 /nfs/dbraw/zinc/27/24/66/823272466.db2.gz VSMIIJKIIHZAJI-LJQANCHMSA-N 1 0 397.563 4.240 20 0 GIADRO CCc1ccc([C@H](C/N=C/c2cc(Br)ccc2O)[NH+](C)C)cc1 ZINC000005292419 817569977 /nfs/dbraw/zinc/56/99/77/817569977.db2.gz WDBRQDPKGVICRD-IUOVYFEOSA-N 1 0 375.310 4.439 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)CSC1=Nc2ccccc2CS1)c1ccccc1 ZINC000005325590 817574528 /nfs/dbraw/zinc/57/45/28/817574528.db2.gz QLWVQECFZSCMLL-GOSISDBHSA-N 1 0 385.558 4.073 20 0 GIADRO CCCOc1ccc(C[N@@H+]2CC[C@H](OCc3c(C)noc3C)C2)cc1OCC ZINC000572047758 823273809 /nfs/dbraw/zinc/27/38/09/823273809.db2.gz VBHDJSIWKSPFOY-IBGZPJMESA-N 1 0 388.508 4.270 20 0 GIADRO Cc1cc(C2CCN(C(=O)CCCC[NH+](C)C)CC2)ccc1Br ZINC000572072548 823278050 /nfs/dbraw/zinc/27/80/50/823278050.db2.gz LXQAGSQEGUXYQP-UHFFFAOYSA-N 1 0 381.358 4.195 20 0 GIADRO CCc1cccc(C)c1NC(=O)C[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000121931367 823279265 /nfs/dbraw/zinc/27/92/65/823279265.db2.gz XIGWWDZGDUOYMO-UXHICEINSA-N 1 0 384.520 4.457 20 0 GIADRO CC(C)(CO)[C@H](NCc1nn(-c2ccc(F)cc2)c2c1CCC2)c1cccs1 ZINC000572079766 823279420 /nfs/dbraw/zinc/27/94/20/823279420.db2.gz PXPLYYQPOMJOLV-OAQYLSRUSA-N 1 0 399.535 4.411 20 0 GIADRO Cc1nn(-c2ccccn2)c(C)c1C[NH2+]CCOc1ccccc1C(F)(F)F ZINC000572062574 823276564 /nfs/dbraw/zinc/27/65/64/823276564.db2.gz RLLWYKQEFQGZHY-UHFFFAOYSA-N 1 0 390.409 4.072 20 0 GIADRO COC1CC[NH+](C2(CNC(=O)CC3CC(c4ccccc4)C3)CCCC2)CC1 ZINC000409673902 823280109 /nfs/dbraw/zinc/28/01/09/823280109.db2.gz XLJFQENWJWRSDC-UHFFFAOYSA-N 1 0 384.564 4.110 20 0 GIADRO CCc1nc2cc(CNC(=O)[C@H](c3ccccc3)[N@@H+](C)CC)ccc2n1C1CC1 ZINC000572062888 823276674 /nfs/dbraw/zinc/27/66/74/823276674.db2.gz XZQRIHJGISONNF-QHCPKHFHSA-N 1 0 390.531 4.243 20 0 GIADRO CC[NH+](CC)CCOc1ccc(CNC(=O)NC[C@H]2CCCC(F)(F)C2)cc1 ZINC000409661566 823276749 /nfs/dbraw/zinc/27/67/49/823276749.db2.gz DFZOZSBMUOQOFU-SFHVURJKSA-N 1 0 397.510 4.032 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C)c1ccc(-c2ccccc2)cc1 ZINC000572065096 823276889 /nfs/dbraw/zinc/27/68/89/823276889.db2.gz SXWKMKDHWNQEJN-NYQDVAGCSA-N 1 0 388.515 4.100 20 0 GIADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2ccc(-n3ncc4ccccc43)cc2Cl)C1 ZINC000572064171 823276964 /nfs/dbraw/zinc/27/69/64/823276964.db2.gz ZCUWKCIEFLCWPE-MRXNPFEDSA-N 1 0 396.922 4.139 20 0 GIADRO CC(C)c1ncc(Cl)c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000176723549 823277613 /nfs/dbraw/zinc/27/76/13/823277613.db2.gz IZDOBELXAPCZAL-NVXWUHKLSA-N 1 0 386.927 4.036 20 0 GIADRO CC[C@@H](CC(C)C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C(F)(F)F ZINC000460023588 823280243 /nfs/dbraw/zinc/28/02/43/823280243.db2.gz XECQLODGVWZFRR-HNNXBMFYSA-N 1 0 385.474 4.468 20 0 GIADRO CCOc1ccc(NC(=S)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)cc1 ZINC000006335995 817678320 /nfs/dbraw/zinc/67/83/20/817678320.db2.gz KNSAHWQCBMYVNT-OAQYLSRUSA-N 1 0 399.560 4.217 20 0 GIADRO CC[NH+](CC)[C@H](C)CNC(=O)C(C)(C)c1csc(-c2cc(F)ccc2F)n1 ZINC000572085593 823280943 /nfs/dbraw/zinc/28/09/43/823280943.db2.gz SYCXUBPIKHLUPE-CYBMUJFWSA-N 1 0 395.519 4.212 20 0 GIADRO CC(=O)Nc1ccc(C)c(C(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)c1 ZINC000188655842 823281201 /nfs/dbraw/zinc/28/12/01/823281201.db2.gz IEVRSBBJUKMFFY-HSZRJFAPSA-N 1 0 393.531 4.156 20 0 GIADRO CC[NH+](CC)CCOc1cc(NC(=O)c2scnc2C2CC2)ccc1OC ZINC000121963468 823285427 /nfs/dbraw/zinc/28/54/27/823285427.db2.gz RDRGJKMAMSDXDY-UHFFFAOYSA-N 1 0 389.521 4.002 20 0 GIADRO FC(F)(F)c1ccc(C2(C[NH2+]C3CCN(Cc4ccncc4)CC3)CC2)cc1 ZINC000188657367 823281572 /nfs/dbraw/zinc/28/15/72/823281572.db2.gz VTFWHQRTXWRIDW-UHFFFAOYSA-N 1 0 389.465 4.386 20 0 GIADRO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC(C)(C)N1CCCCC1 ZINC000121941900 823281679 /nfs/dbraw/zinc/28/16/79/823281679.db2.gz LUHHHBSTTFPUCH-OAHLLOKOSA-N 1 0 385.474 4.277 20 0 GIADRO COCCCOc1cccc(NC(=O)c2oc3ccccc3c2C[NH+](C)C)c1 ZINC000176738188 823281730 /nfs/dbraw/zinc/28/17/30/823281730.db2.gz IQYGGIUBODBPJW-UHFFFAOYSA-N 1 0 382.460 4.162 20 0 GIADRO C[C@@H]([NH2+]C[C@@](C)(O)C1CCCCC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000188665824 823282738 /nfs/dbraw/zinc/28/27/38/823282738.db2.gz FROJRGXPCYOELY-VGOFRKELSA-N 1 0 393.593 4.385 20 0 GIADRO C[C@H]([NH2+]C[C@](C)(O)C1CCCCC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000188665757 823282870 /nfs/dbraw/zinc/28/28/70/823282870.db2.gz FROJRGXPCYOELY-JTSKRJEESA-N 1 0 393.593 4.385 20 0 GIADRO FC(F)Oc1ccc(NC(=S)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000007009404 817738004 /nfs/dbraw/zinc/73/80/04/817738004.db2.gz XZDFQZSBSFBAJW-UHFFFAOYSA-N 1 0 391.487 4.370 20 0 GIADRO Cc1ccc([C@H](C)NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000460101140 823284540 /nfs/dbraw/zinc/28/45/40/823284540.db2.gz CJWUJUTXEMOBGB-PMOQBDJRSA-N 1 0 377.532 4.220 20 0 GIADRO Cc1ccc(NC(=O)[C@H](C)Oc2ccc(Br)cc2)c(C[NH+](C)C)c1 ZINC000409701755 823286154 /nfs/dbraw/zinc/28/61/54/823286154.db2.gz QJYSJPQRZVVMSM-AWEZNQCLSA-N 1 0 391.309 4.225 20 0 GIADRO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000460132107 823291253 /nfs/dbraw/zinc/29/12/53/823291253.db2.gz JLLTUYOYRPMCBL-CRAIPNDOSA-N 1 0 380.454 4.212 20 0 GIADRO COCC[NH2+]C1CCN(C(=O)c2sc3cc(Cl)ccc3c2Cl)CC1 ZINC000572129928 823287413 /nfs/dbraw/zinc/28/74/13/823287413.db2.gz BPACFFDODKEKOV-UHFFFAOYSA-N 1 0 387.332 4.049 20 0 GIADRO Cc1cccc(OCCCCC(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)c1 ZINC000057389219 823288142 /nfs/dbraw/zinc/28/81/42/823288142.db2.gz FFJRKBVOFGWCLI-UHFFFAOYSA-N 1 0 395.547 4.325 20 0 GIADRO CCc1ccc([C@H]([NH2+]CC(=O)Nc2ccc(N3CCOCC3)cc2)C(C)C)cc1 ZINC000007251419 817805044 /nfs/dbraw/zinc/80/50/44/817805044.db2.gz YRBNMDMMMFJFPS-XMMPIXPASA-N 1 0 395.547 4.011 20 0 GIADRO CCOc1ccc(NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000572142705 823289602 /nfs/dbraw/zinc/28/96/02/823289602.db2.gz GNDZUEADWFOYIB-VQTJNVASSA-N 1 0 379.504 4.071 20 0 GIADRO Cc1ccc(NC(=O)N2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c(Cl)c1 ZINC000176773129 823289670 /nfs/dbraw/zinc/28/96/70/823289670.db2.gz LHAORJRGTNLCCX-IAGOWNOFSA-N 1 0 393.959 4.392 20 0 GIADRO O=C1CCCN1Cc1ccc(C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)cc1 ZINC000121992715 823290081 /nfs/dbraw/zinc/29/00/81/823290081.db2.gz RHRUEINUIPNSOU-HSZRJFAPSA-N 1 0 390.527 4.301 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccccc1OC(F)F)c1cccc(NS(C)(=O)=O)c1 ZINC000122007016 823292131 /nfs/dbraw/zinc/29/21/31/823292131.db2.gz WCEFRAXAAJLFRD-STQMWFEESA-N 1 0 384.448 4.071 20 0 GIADRO CSc1ccccc1NC(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000176786200 823292250 /nfs/dbraw/zinc/29/22/50/823292250.db2.gz IIUBSGSBDPETIG-IRXDYDNUSA-N 1 0 391.581 4.152 20 0 GIADRO COCCn1cc(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)c2ccccc21 ZINC000057436787 823297484 /nfs/dbraw/zinc/29/74/84/823297484.db2.gz DXVQIOPWNJTSDU-UHFFFAOYSA-N 1 0 391.515 4.178 20 0 GIADRO CC[C@H]([NH2+]C1CCN(c2ccc(S(=O)(=O)CC)cc2)CC1)C1CCCCC1 ZINC000122023443 823294782 /nfs/dbraw/zinc/29/47/82/823294782.db2.gz LQKZNHRQIANOID-QFIPXVFZSA-N 1 0 392.609 4.398 20 0 GIADRO CC(C)(NC[C@H](O)COc1ccc2ccccc2c1)c1cc(C(F)(F)F)on1 ZINC000572194001 823297734 /nfs/dbraw/zinc/29/77/34/823297734.db2.gz DJGXWRVHUAZDJX-HNNXBMFYSA-N 1 0 394.393 4.111 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CCc2sc(Cl)cc21)c1ccco1 ZINC000460144152 823296022 /nfs/dbraw/zinc/29/60/22/823296022.db2.gz TUSQJFSJYXTITN-ZIAGYGMSSA-N 1 0 381.929 4.364 20 0 GIADRO Cc1c2ccccc2oc1CNC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000176807068 823297883 /nfs/dbraw/zinc/29/78/83/823297883.db2.gz OWPPBIAONHUWPC-FQEVSTJZSA-N 1 0 391.515 4.405 20 0 GIADRO COc1ccc([C@@H](CNC(=S)Nc2ccc(F)cc2)[NH+]2CCCCC2)cc1 ZINC000007678675 817893141 /nfs/dbraw/zinc/89/31/41/817893141.db2.gz MZSFXIIOXRTTTR-HXUWFJFHSA-N 1 0 387.524 4.348 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)COc1ccccc1-c1ccccc1)Cc1ccccc1 ZINC000007683652 817894357 /nfs/dbraw/zinc/89/43/57/817894357.db2.gz BMLCTKPJVHYROH-JOCHJYFZSA-N 1 0 388.511 4.022 20 0 GIADRO O=C(Cc1cccc(C(F)(F)F)c1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000007687061 817895621 /nfs/dbraw/zinc/89/56/21/817895621.db2.gz ZMQYKQPBVRHCQO-INIZCTEOSA-N 1 0 382.451 4.263 20 0 GIADRO CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H](C)c2cccc(NC(C)=O)c2)cc1 ZINC000409741414 823296606 /nfs/dbraw/zinc/29/66/06/823296606.db2.gz AHESNILBYVRKGU-QGZVFWFLSA-N 1 0 381.520 4.368 20 0 GIADRO CCc1nc(C)c([C@H](C)N(C)CC(=O)Nc2cc(Cl)ccc2OC)s1 ZINC000122034995 823296686 /nfs/dbraw/zinc/29/66/86/823296686.db2.gz RKPPRSMYVZSAPF-LBPRGKRZSA-N 1 0 381.929 4.307 20 0 GIADRO CCc1nc(C)c([C@H](C)N(C)C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)s1 ZINC000176817700 823301028 /nfs/dbraw/zinc/30/10/28/823301028.db2.gz LWDABDVPEJWLPY-AWEZNQCLSA-N 1 0 392.544 4.117 20 0 GIADRO COC(C)(C)c1nc(C)c(C(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)s1 ZINC000572209843 823301174 /nfs/dbraw/zinc/30/11/74/823301174.db2.gz NOVVPZTUSQAVSB-KRWDZBQOSA-N 1 0 393.597 4.108 20 0 GIADRO O=C(CSc1nc2ccccc2o1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000007850554 817937885 /nfs/dbraw/zinc/93/78/85/817937885.db2.gz RRTRYNPQTFTKGZ-UHFFFAOYSA-N 1 0 395.528 4.222 20 0 GIADRO CCOC1CC(CC[NH2+]Cc2c(C)nn(Cc3ccccc3Cl)c2C)C1 ZINC000188774910 823302422 /nfs/dbraw/zinc/30/24/22/823302422.db2.gz HDRFFHSCBZLMQK-UHFFFAOYSA-N 1 0 375.944 4.496 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2cccc(C)c2C)cc1Br ZINC000007879162 817947513 /nfs/dbraw/zinc/94/75/13/817947513.db2.gz RFWUIWIZKUDGLR-AWEZNQCLSA-N 1 0 391.309 4.364 20 0 GIADRO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000122048710 823298461 /nfs/dbraw/zinc/29/84/61/823298461.db2.gz JINHZXJOJRFUOR-KBPBESRZSA-N 1 0 387.423 4.098 20 0 GIADRO COCCCn1c(C)cc(C(=O)C[N@H+](C)[C@H]2CC[C@@H](C(F)(F)F)CC2)c1C ZINC000572201863 823299076 /nfs/dbraw/zinc/29/90/76/823299076.db2.gz WKPHKPAVYDKMKW-CALCHBBNSA-N 1 0 388.474 4.377 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cc(Br)ccc1F ZINC000007946354 817966969 /nfs/dbraw/zinc/96/69/69/817966969.db2.gz PKYWBFRWGZZOMI-UHFFFAOYSA-N 1 0 393.300 4.360 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)[C@H]2C[C@H]2c2cccc(C(F)(F)F)c2)cc1F ZINC000122055312 823299414 /nfs/dbraw/zinc/29/94/14/823299414.db2.gz POLVPJJSFXQMBZ-ROUUACIJSA-N 1 0 394.412 4.326 20 0 GIADRO CC(C)[C@@H]([NH2+]CC(=O)Nc1ccccc1C(=O)NC1CCCC1)c1ccccc1 ZINC000008003229 817979249 /nfs/dbraw/zinc/97/92/49/817979249.db2.gz AMPFFCZGFDTCIF-HSZRJFAPSA-N 1 0 393.531 4.284 20 0 GIADRO COc1ccccc1C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1F)C(C)C ZINC000572205572 823300040 /nfs/dbraw/zinc/30/00/40/823300040.db2.gz PTWXDTFFUWPIEM-KRWDZBQOSA-N 1 0 378.875 4.283 20 0 GIADRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)N1CCC2(CCCC2)CC1 ZINC000572205762 823300218 /nfs/dbraw/zinc/30/02/18/823300218.db2.gz YKSBVJMFSBOPQC-SFHVURJKSA-N 1 0 375.582 4.326 20 0 GIADRO C[C@H]1CN(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)CCC1(F)F ZINC000460167560 823303717 /nfs/dbraw/zinc/30/37/17/823303717.db2.gz JJCRJDFOFJSACJ-WMLDXEAASA-N 1 0 385.886 4.164 20 0 GIADRO CC[N@H+](CCC1CCN(C(=O)CCc2cccc(OC)c2F)CC1)CC1CC1 ZINC000572229361 823304758 /nfs/dbraw/zinc/30/47/58/823304758.db2.gz BAUNPZQMKYMALY-UHFFFAOYSA-N 1 0 390.543 4.128 20 0 GIADRO CC[NH+](CC)[C@@H](C(=O)Nc1cc(C(=O)NCC2CC2)ccc1C)c1ccccc1 ZINC000188787000 823305740 /nfs/dbraw/zinc/30/57/40/823305740.db2.gz MZCJVJUEEVNVHA-JOCHJYFZSA-N 1 0 393.531 4.156 20 0 GIADRO CCCc1ccccc1NC(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000176838445 823305773 /nfs/dbraw/zinc/30/57/73/823305773.db2.gz FGMPKKSGKSKTDL-OALUTQOASA-N 1 0 387.568 4.382 20 0 GIADRO CC[C@H](CNC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)Oc1cccc(C)c1 ZINC000176843507 823307197 /nfs/dbraw/zinc/30/71/97/823307197.db2.gz BAQPSKSGUVNWOD-HXUWFJFHSA-N 1 0 399.535 4.051 20 0 GIADRO C[C@@H]([NH2+]CC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(Cl)cn1 ZINC000011046514 818047848 /nfs/dbraw/zinc/04/78/48/818047848.db2.gz MSRAROQYROBWJK-MRXNPFEDSA-N 1 0 379.891 4.484 20 0 GIADRO Cc1nc(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)sc1C(F)(F)F ZINC000572260300 823309018 /nfs/dbraw/zinc/30/90/18/823309018.db2.gz XHBBIPZOFIHUHP-LLVKDONJSA-N 1 0 388.415 4.022 20 0 GIADRO COc1ccccc1N1CC[C@H]([NH2+]C2(c3cccc(C(F)(F)F)c3)CC2)C1=O ZINC000572252395 823307691 /nfs/dbraw/zinc/30/76/91/823307691.db2.gz CHEJTEVGRVQTEY-INIZCTEOSA-N 1 0 390.405 4.098 20 0 GIADRO CCn1c(-c2cc(C)nc3ccccc32)nnc1N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000460182923 823308446 /nfs/dbraw/zinc/30/84/46/823308446.db2.gz HXEGYKQZQOWSCM-QZTJIDSGSA-N 1 0 392.551 4.131 20 0 GIADRO Cn1cc(C[C@H]2CC[N@H+](CCSc3ccnc4cc(Cl)ccc43)C2)cn1 ZINC000122122504 823309449 /nfs/dbraw/zinc/30/94/49/823309449.db2.gz LHLVFSSXYNNEPR-OAHLLOKOSA-N 1 0 386.952 4.278 20 0 GIADRO Cc1ccc(C)c(CC(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000176852388 823310039 /nfs/dbraw/zinc/31/00/39/823310039.db2.gz DFBLXHQUTXVLFC-UHFFFAOYSA-N 1 0 394.559 4.033 20 0 GIADRO Cc1c[nH+]ccc1N1CCC(C(=O)N2CCC[C@@]2(C)Cc2ccc(F)cc2)CC1 ZINC000572271911 823311191 /nfs/dbraw/zinc/31/11/91/823311191.db2.gz MNIRXHDYCUMNEU-DEOSSOPVSA-N 1 0 395.522 4.369 20 0 GIADRO CCN(c1nnc(-c2ccccn2)n1CC)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000460194266 823312250 /nfs/dbraw/zinc/31/22/50/823312250.db2.gz BGJNQWWAGVAQHD-QUCCMNQESA-N 1 0 390.535 4.022 20 0 GIADRO COCc1ccccc1C(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000057587136 823312244 /nfs/dbraw/zinc/31/22/44/823312244.db2.gz OCPQBHAFYTWNFZ-KDURUIRLSA-N 1 0 380.532 4.241 20 0 GIADRO Cc1cccc(NC(=O)NC(=O)C[N@@H+](C)[C@H]2CC[C@@H](C(F)(F)F)CC2)c1C ZINC000572280269 823312311 /nfs/dbraw/zinc/31/23/11/823312311.db2.gz PCKYVOZKTWBSKC-GASCZTMLSA-N 1 0 385.430 4.004 20 0 GIADRO CCOc1ccc([C@H](C)NC(=O)NCc2ccccc2C[N@H+](C)C(C)C)cc1 ZINC000057592463 823312940 /nfs/dbraw/zinc/31/29/40/823312940.db2.gz MDRUZAJRRANMNX-SFHVURJKSA-N 1 0 383.536 4.486 20 0 GIADRO C[NH+](C)CCN(Cc1ccco1)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000176868434 823313758 /nfs/dbraw/zinc/31/37/58/823313758.db2.gz AFLZNZNRZMOYBF-LJQANCHMSA-N 1 0 375.900 4.158 20 0 GIADRO Cc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@H]2CC[C@@H](O)C2)cc1 ZINC000188827674 823314004 /nfs/dbraw/zinc/31/40/04/823314004.db2.gz RLZMAKDEHDFVEJ-NZQKXSOJSA-N 1 0 375.516 4.157 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)CCC(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000011946888 818131361 /nfs/dbraw/zinc/13/13/61/818131361.db2.gz NIZMVIUVOIFXJT-UHFFFAOYSA-N 1 0 399.922 4.084 20 0 GIADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(Cc3ccccc3)Cc3ccccc3)CC[C@H]21 ZINC000409813074 823314397 /nfs/dbraw/zinc/31/43/97/823314397.db2.gz RYURTBGFNVLZCE-ISKFKSNPSA-N 1 0 376.544 4.031 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)CCc3nc(-c4ccccc4)no3)C2)s1 ZINC000572291354 823314460 /nfs/dbraw/zinc/31/44/60/823314460.db2.gz KHYWENGFEYQDGC-SFHVURJKSA-N 1 0 396.560 4.103 20 0 GIADRO COC(=O)c1ccccc1-c1ccc(C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)o1 ZINC000572296915 823315696 /nfs/dbraw/zinc/31/56/96/823315696.db2.gz ZHZNNWYGIPQVRJ-HNNXBMFYSA-N 1 0 385.851 4.030 20 0 GIADRO O=C(CCCC1CCOCC1)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000409817813 823315723 /nfs/dbraw/zinc/31/57/23/823315723.db2.gz AYJYLOHJXBPVPX-PKTZIBPZSA-N 1 0 384.564 4.096 20 0 GIADRO COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H](C)c2ccc(F)cc2F)c(OC)c1 ZINC000122171119 823316586 /nfs/dbraw/zinc/31/65/86/823316586.db2.gz PDSDYYAXDVKYNX-OLZOCXBDSA-N 1 0 378.419 4.050 20 0 GIADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1cc(O)ccc1C(F)(F)F ZINC000188848566 823316804 /nfs/dbraw/zinc/31/68/04/823316804.db2.gz OBHXPLRBHBYCON-OAHLLOKOSA-N 1 0 384.423 4.039 20 0 GIADRO CCn1c(-c2cc(C)oc2C)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000460207577 823317357 /nfs/dbraw/zinc/31/73/57/823317357.db2.gz BSRMMLSQZMZURW-UHFFFAOYSA-N 1 0 397.498 4.026 20 0 GIADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2c(C)c(C)oc2-c2ccccc2)[C@H](C)C1 ZINC000188856468 823317889 /nfs/dbraw/zinc/31/78/89/823317889.db2.gz HXLBYQJTOSXEKC-UTKZUKDTSA-N 1 0 398.547 4.430 20 0 GIADRO O=C(NCc1cc2ccccc2[nH]1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000057645690 823318348 /nfs/dbraw/zinc/31/83/48/823318348.db2.gz OXKRFMUTFINKCE-UHFFFAOYSA-N 1 0 376.504 4.153 20 0 GIADRO C[C@H](C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccc(F)c(F)c1 ZINC000460210718 823318357 /nfs/dbraw/zinc/31/83/57/823318357.db2.gz OBGJUUSHAYDQJR-OHNRDTAOSA-N 1 0 378.488 4.329 20 0 GIADRO COc1ccc([C@@H](C[NH2+]Cc2ccccc2Br)N2CCCC2)cc1 ZINC000057681720 823320932 /nfs/dbraw/zinc/32/09/32/823320932.db2.gz BJQRVLAKASUDPD-HXUWFJFHSA-N 1 0 389.337 4.384 20 0 GIADRO O=C1CCCN1c1ccc(-c2noc(-c3ccc(C[NH+]4CCCC4)cc3)n2)cc1 ZINC000572321461 823319896 /nfs/dbraw/zinc/31/98/96/823319896.db2.gz QAWOGUJDKMOLQX-UHFFFAOYSA-N 1 0 388.471 4.126 20 0 GIADRO Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000176898233 823320000 /nfs/dbraw/zinc/32/00/00/823320000.db2.gz UECXKVKRZOZFOL-UHFFFAOYSA-N 1 0 386.908 4.481 20 0 GIADRO Brc1ccccc1-c1ccc(C[NH2+][C@H]2CCc3nc[nH]c3C2)cc1 ZINC000572327097 823321137 /nfs/dbraw/zinc/32/11/37/823321137.db2.gz UQYFGVLFAMDATR-INIZCTEOSA-N 1 0 382.305 4.486 20 0 GIADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2ccc3ccc(Cl)cc3n2)CC1 ZINC000176910760 823322300 /nfs/dbraw/zinc/32/23/00/823322300.db2.gz AWOMMWCEBJPKSB-UHFFFAOYSA-N 1 0 383.879 4.218 20 0 GIADRO CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@](C)(Cc1ccccc1)[C@@H](C)O ZINC000188906507 823326309 /nfs/dbraw/zinc/32/63/09/823326309.db2.gz NDULJLUTUUQMTN-XLNZFTOWSA-N 1 0 382.548 4.186 20 0 GIADRO C[C@@H](CNC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)[N@H+](C)C1CC1 ZINC000057705916 823323641 /nfs/dbraw/zinc/32/36/41/823323641.db2.gz VGQZNRKFQUIUCS-NSHDSACASA-N 1 0 398.359 4.258 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)NCCc1cccc2cccnc21)c1ccsc1 ZINC000057707267 823323858 /nfs/dbraw/zinc/32/38/58/823323858.db2.gz YZWLNOZCIQXWRS-HXUWFJFHSA-N 1 0 396.560 4.221 20 0 GIADRO CCn1c(Cc2ccc3ccccc3c2)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460228567 823323981 /nfs/dbraw/zinc/32/39/81/823323981.db2.gz BMKSLHUVRASYDA-AVRDEDQJSA-N 1 0 389.547 4.105 20 0 GIADRO O[C@H](COc1ccc(F)cc1)C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000014789018 818265809 /nfs/dbraw/zinc/26/58/09/818265809.db2.gz MGFVUDXXSZZOSS-KRWDZBQOSA-N 1 0 386.492 4.055 20 0 GIADRO O=C(C[NH+]1CCCC1)Nc1ccc(COc2ccc(Br)cc2)cc1 ZINC000014914557 818277134 /nfs/dbraw/zinc/27/71/34/818277134.db2.gz QKOYUEMEFULDEH-UHFFFAOYSA-N 1 0 389.293 4.062 20 0 GIADRO Cc1cc(C)n2c(C[NH2+]C(C)(C)c3ccc(OC(F)(F)F)cc3)cnc2n1 ZINC000188899592 823324911 /nfs/dbraw/zinc/32/49/11/823324911.db2.gz QDVJGMQFBDDRDY-UHFFFAOYSA-N 1 0 378.398 4.270 20 0 GIADRO 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 823324973 /nfs/dbraw/zinc/32/49/73/823324973.db2.gz ISBKGCOCGYQZGQ-JXYJOFSCSA-N 1 0 378.516 4.458 20 0 GIADRO CN(C)C(=O)Sc1cccc(C[N@H+](CCO)[C@H]2CCCc3ccccc32)c1 ZINC000176926200 823325957 /nfs/dbraw/zinc/32/59/57/823325957.db2.gz ASMVEDQBNYBCTM-NRFANRHFSA-N 1 0 384.545 4.332 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000015140112 818294548 /nfs/dbraw/zinc/29/45/48/818294548.db2.gz CHMVZAYRTOTXOO-UHFFFAOYSA-N 1 0 388.515 4.015 20 0 GIADRO CCC[C@@]1(CO)CCN(C(=O)NCC(CC)(CC)[NH2+][C@@H](C)c2ccccc2)C1 ZINC000460237253 823326844 /nfs/dbraw/zinc/32/68/44/823326844.db2.gz VGJDMWHIECKKNL-SIKLNZKXSA-N 1 0 389.584 4.090 20 0 GIADRO CCN(CC)C(=O)C1([NH2+]Cc2ccc(SC(=O)N(C)C)cc2)CCCCC1 ZINC000176929921 823326967 /nfs/dbraw/zinc/32/69/67/823326967.db2.gz HTNJTLWRTTULIR-UHFFFAOYSA-N 1 0 391.581 4.121 20 0 GIADRO COc1ccc(C(=O)C(C(=S)Nc2ccc(F)cc2)[n+]2ccccc2)cc1 ZINC000015244670 818302329 /nfs/dbraw/zinc/30/23/29/818302329.db2.gz BWINPOKKTJZWTI-UHFFFAOYSA-O 1 0 381.452 4.173 20 0 GIADRO NC(=O)c1cccc(C[NH2+][C@H]2CCCc3nc(-c4ccccc4F)sc32)c1 ZINC000122247198 823327262 /nfs/dbraw/zinc/32/72/62/823327262.db2.gz FZKRGTQRGVZSDK-KRWDZBQOSA-N 1 0 381.476 4.215 20 0 GIADRO CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000572362420 823327523 /nfs/dbraw/zinc/32/75/23/823327523.db2.gz KEXCBERRHUSWRU-FFZOFVMBSA-N 1 0 390.449 4.227 20 0 GIADRO FC(F)(F)c1cccc(CN2CCC([NH2+]Cc3cccc4c3NCC4)CC2)c1 ZINC000572364235 823327550 /nfs/dbraw/zinc/32/75/50/823327550.db2.gz ZIZDTZBDPUFACQ-UHFFFAOYSA-N 1 0 389.465 4.428 20 0 GIADRO Cc1sc([C@H](C)NC(=O)NC2CC[NH+](C)CC2)nc1-c1ccc(Cl)cc1 ZINC000122253317 823328084 /nfs/dbraw/zinc/32/80/84/823328084.db2.gz JLOAUWBPIJBZPN-LBPRGKRZSA-N 1 0 392.956 4.226 20 0 GIADRO C[C@H](NC(=O)N1CCC(c2ccsc2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000188919774 823328529 /nfs/dbraw/zinc/32/85/29/823328529.db2.gz MRQRAJUTTAHZAU-FUHWJXTLSA-N 1 0 375.582 4.290 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)c1cccc(OCc2ccccc2)c1)c1cccc(CO)c1 ZINC000122260189 823328971 /nfs/dbraw/zinc/32/89/71/823328971.db2.gz BPDXUBZRNYIQSQ-UUOWRZLLSA-N 1 0 377.484 4.142 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(C)ccc1OC ZINC000015499749 818330534 /nfs/dbraw/zinc/33/05/34/818330534.db2.gz JYUTXTDLGONSSF-UONOGXRCSA-N 1 0 376.884 4.343 20 0 GIADRO O=C(Nc1ccc(-c2ccc(Cl)cc2Cl)nc1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000572376087 823329129 /nfs/dbraw/zinc/32/91/29/823329129.db2.gz SDHCLUIMCPYZTJ-SJCJKPOMSA-N 1 0 391.302 4.271 20 0 GIADRO CCOC(=O)Nc1ccc2c(C[N@@H+]3CCC[C@H]3c3cccn3C)cc(=O)oc2c1 ZINC000015521862 818333964 /nfs/dbraw/zinc/33/39/64/818333964.db2.gz RVEDKVQOHKRQCF-IBGZPJMESA-N 1 0 395.459 4.037 20 0 GIADRO Cc1ccnc(-n2c(=O)c3ccccc3nc2SCC[C@@H]2CCCC[N@H+]2C)c1 ZINC000057763658 823329725 /nfs/dbraw/zinc/32/97/25/823329725.db2.gz SKUMMFUNMZHZNC-KRWDZBQOSA-N 1 0 394.544 4.056 20 0 GIADRO CCCn1c(C)c(C(=O)N(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)c2cc(OC)ccc21 ZINC000122283137 823332119 /nfs/dbraw/zinc/33/21/19/823332119.db2.gz YAZGLUMAQJCKFM-JXFKEZNVSA-N 1 0 385.552 4.171 20 0 GIADRO CN(C)C(=O)N1CCC([NH2+]C2(c3cc(C(F)(F)F)ccc3Cl)CC2)CC1 ZINC000188936580 823330516 /nfs/dbraw/zinc/33/05/16/823330516.db2.gz HXIXREPZYVGLAS-UHFFFAOYSA-N 1 0 389.849 4.084 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)C3(Oc4ccc(Cl)cc4)CC3)c2)CC1 ZINC000572385625 823330741 /nfs/dbraw/zinc/33/07/41/823330741.db2.gz VQTXVKLJDGJQNA-UHFFFAOYSA-N 1 0 399.922 4.032 20 0 GIADRO CC[C@@H](C)[NH2+][C@H](CNC(=O)CCc1ccc(OC)c(Cl)c1)c1ccco1 ZINC000572387234 823330996 /nfs/dbraw/zinc/33/09/96/823330996.db2.gz RSEONFAKJJZIKL-RHSMWYFYSA-N 1 0 378.900 4.120 20 0 GIADRO Cc1[nH]c2ccccc2c1CC(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000572386860 823331093 /nfs/dbraw/zinc/33/10/93/823331093.db2.gz KACWPFNXKVEXHG-KRWDZBQOSA-N 1 0 383.923 4.134 20 0 GIADRO Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)NC[C@@H](c3cccs3)[NH+](C)C)nc2c1 ZINC000057774262 823331205 /nfs/dbraw/zinc/33/12/05/823331205.db2.gz JOGMHYDAADKOMU-ROUUACIJSA-N 1 0 397.548 4.082 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1ccc(Cl)cc1OC(F)F)c1ccsc1 ZINC000460258309 823333087 /nfs/dbraw/zinc/33/30/87/823333087.db2.gz LKBZDUCXVKUFFB-CYBMUJFWSA-N 1 0 389.855 4.427 20 0 GIADRO COc1cc(C)c([C@H](C)NC(=O)c2ccccc2CC2CC[NH2+]CC2)cc1OC ZINC000572405564 823333663 /nfs/dbraw/zinc/33/36/63/823333663.db2.gz ZCAPTPRJYWDXEO-KRWDZBQOSA-N 1 0 396.531 4.045 20 0 GIADRO COc1ccc(-c2nc(C)c(C(=O)NCc3ccc(C[NH+](C)C)cc3)s2)cc1 ZINC000016102454 818393299 /nfs/dbraw/zinc/39/32/99/818393299.db2.gz NQMNECNEOWCGEC-UHFFFAOYSA-N 1 0 395.528 4.119 20 0 GIADRO CSc1ccccc1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000409879429 823334178 /nfs/dbraw/zinc/33/41/78/823334178.db2.gz QMXCIKUKMJULTH-HUUCEWRRSA-N 1 0 386.517 4.248 20 0 GIADRO COc1ccc([C@H](C[NH2+]Cc2ccc(Br)s2)N2CCCC2)cc1 ZINC000057801180 823334510 /nfs/dbraw/zinc/33/45/10/823334510.db2.gz KHSMYMWJKLDUMM-KRWDZBQOSA-N 1 0 395.366 4.446 20 0 GIADRO COc1ccc([C@@H](C[NH2+]Cc2ccc(Br)s2)N2CCCC2)cc1 ZINC000057801178 823334532 /nfs/dbraw/zinc/33/45/32/823334532.db2.gz KHSMYMWJKLDUMM-QGZVFWFLSA-N 1 0 395.366 4.446 20 0 GIADRO COc1ccc([C@@H](C[NH2+]Cc2cccc(Cl)c2Cl)N2CCOCC2)cc1 ZINC000057801110 823334616 /nfs/dbraw/zinc/33/46/16/823334616.db2.gz VDAKMPTWBMCTLV-LJQANCHMSA-N 1 0 395.330 4.165 20 0 GIADRO C[C@H]([NH2+]C1CCN(Cc2ccccn2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000188978107 823337472 /nfs/dbraw/zinc/33/74/72/823337472.db2.gz BJSYINMMJPHKRO-HNNXBMFYSA-N 1 0 379.426 4.295 20 0 GIADRO COc1ccccc1[C@@H](CNC(=S)Nc1ccc(Cl)cc1)[NH+]1CCCC1 ZINC000016241271 818409072 /nfs/dbraw/zinc/40/90/72/818409072.db2.gz ANMDNDCONKEANA-GOSISDBHSA-N 1 0 389.952 4.472 20 0 GIADRO COc1ccccc1[C@@H](CNC(=S)Nc1cccc(Cl)c1)[NH+]1CCCC1 ZINC000016241321 818409714 /nfs/dbraw/zinc/40/97/14/818409714.db2.gz XWUWCCXWUUIWIN-GOSISDBHSA-N 1 0 389.952 4.472 20 0 GIADRO CCOC(=O)c1ccc(NC(=S)NC[C@@H](c2ccc(CC)cc2)[NH+](C)C)cc1 ZINC000016242649 818409758 /nfs/dbraw/zinc/40/97/58/818409758.db2.gz NYTXTUXFNGUNSK-FQEVSTJZSA-N 1 0 399.560 4.015 20 0 GIADRO CSc1ccc(CNCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)s1 ZINC000572413205 823335038 /nfs/dbraw/zinc/33/50/38/823335038.db2.gz RXWYNUBUCUJXOT-INIZCTEOSA-N 1 0 376.591 4.460 20 0 GIADRO CCN(c1nnc([C@@H]2OCC[C@@H]2C)n1CC)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000460266444 823335061 /nfs/dbraw/zinc/33/50/61/823335061.db2.gz KEMBZVNVPBNCJL-IZZBFERCSA-N 1 0 397.567 4.057 20 0 GIADRO CC[N@H+](CC(=O)N[C@H](c1ccc2c(c1)OCCCO2)C(C)C)Cc1ccccc1 ZINC000016337020 818425943 /nfs/dbraw/zinc/42/59/43/818425943.db2.gz DGALSAQCXBSYAX-DEOSSOPVSA-N 1 0 396.531 4.183 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)C1 ZINC000016335274 818426168 /nfs/dbraw/zinc/42/61/68/818426168.db2.gz ZIMRKIIDDDFLRR-HLLBOEOZSA-N 1 0 387.574 4.465 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N[C@H]2CCc3cc(N)ccc32)cc1 ZINC000572424881 823336686 /nfs/dbraw/zinc/33/66/86/823336686.db2.gz WJZDCFQTMMIMDG-SBUREZEXSA-N 1 0 392.547 4.130 20 0 GIADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)c1 ZINC000572432609 823338058 /nfs/dbraw/zinc/33/80/58/823338058.db2.gz MVTWKZOVEHMQIL-UHFFFAOYSA-N 1 0 392.503 4.317 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1ccc2c(c1)OC(C)(C)O2 ZINC000057858385 823342896 /nfs/dbraw/zinc/34/28/96/823342896.db2.gz DZTNJSCVPSPWHF-UHFFFAOYSA-N 1 0 383.492 4.357 20 0 GIADRO Cc1cc(NC2CC[NH+](Cc3ccc(F)cc3)CC2)nc(-c2ccncc2)n1 ZINC000057827595 823338642 /nfs/dbraw/zinc/33/86/42/823338642.db2.gz YMXMAGXDEDGYON-UHFFFAOYSA-N 1 0 377.467 4.063 20 0 GIADRO C[C@H]1C[NH+](CCOc2ccc(CCNC(=O)c3ccoc3C3CC3)cc2)C[C@@H]1C ZINC000409898300 823339037 /nfs/dbraw/zinc/33/90/37/823339037.db2.gz XYJVICIBICJONV-ROUUACIJSA-N 1 0 396.531 4.096 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)/C=C/c2nc3ccccc3s2)cc1 ZINC000016780344 818477497 /nfs/dbraw/zinc/47/74/97/818477497.db2.gz ACTDMYAQXBHOOU-BUHFOSPRSA-N 1 0 379.529 4.468 20 0 GIADRO O=S1(=O)CCC(C[NH2+][C@H](Cc2ccccc2Cl)c2ccsc2)CC1 ZINC000572455620 823343173 /nfs/dbraw/zinc/34/31/73/823343173.db2.gz ONNCFALDWAUXOA-GOSISDBHSA-N 1 0 383.966 4.100 20 0 GIADRO C[C@@H](C(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000122337852 823340313 /nfs/dbraw/zinc/34/03/13/823340313.db2.gz GEYQEGQWJSEFRV-KFWWJZLASA-N 1 0 389.927 4.449 20 0 GIADRO COc1ccccc1CC[NH2+]Cc1c(C)nn(Cc2ccc(F)cc2)c1Cl ZINC000017316207 818508516 /nfs/dbraw/zinc/50/85/16/818508516.db2.gz CBIUIASZRUGQFG-UHFFFAOYSA-N 1 0 387.886 4.373 20 0 GIADRO O=S(=O)(c1ccc(C[NH2+]Cc2ccc3ccccc3c2)cc1)N1CCCCC1 ZINC000017317698 818508801 /nfs/dbraw/zinc/50/88/01/818508801.db2.gz CIAFNYXWUUJFMM-UHFFFAOYSA-N 1 0 394.540 4.304 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)Nc1cccc(-n2cccn2)c1 ZINC000057862936 823343316 /nfs/dbraw/zinc/34/33/16/823343316.db2.gz GZNASNOLXDTRKV-UHFFFAOYSA-N 1 0 389.503 4.180 20 0 GIADRO FC(F)(F)c1cc(Cl)cc(C[NH2+]Cc2ccc(Cn3cncn3)cc2)c1 ZINC000189023897 823343497 /nfs/dbraw/zinc/34/34/97/823343497.db2.gz NFDCURVYFFDNEJ-UHFFFAOYSA-N 1 0 380.801 4.288 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)NC(C)(C)c1ncc(C)s1 ZINC000176990490 823344057 /nfs/dbraw/zinc/34/40/57/823344057.db2.gz LBXWTASRJBAJGC-UHFFFAOYSA-N 1 0 390.553 4.229 20 0 GIADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2cc3ccccc3s2)cc1 ZINC000018116128 818547421 /nfs/dbraw/zinc/54/74/21/818547421.db2.gz BIOSAQDIWBLQLC-UHFFFAOYSA-N 1 0 395.528 4.225 20 0 GIADRO COc1cccc(N2CC[C@H](C[NH2+][C@@H](C)Cc3ccc(OC)c(OC)c3C)C2)c1 ZINC000572468839 823345349 /nfs/dbraw/zinc/34/53/49/823345349.db2.gz MEUQIHLSHBTUPN-PKOBYXMFSA-N 1 0 398.547 4.068 20 0 GIADRO CSc1ccc([C@@H](C)[NH2+][C@H]2CCN(Cc3ccc(F)cc3)C2=O)cc1F ZINC000189034547 823345506 /nfs/dbraw/zinc/34/55/06/823345506.db2.gz TZUGBBYZDUUSIR-ACJLOTCBSA-N 1 0 376.472 4.138 20 0 GIADRO CSc1ccc([C@H](C)[NH2+][C@@H]2CCN(Cc3ccc(F)cc3)C2=O)cc1F ZINC000189034480 823345521 /nfs/dbraw/zinc/34/55/21/823345521.db2.gz TZUGBBYZDUUSIR-SCLBCKFNSA-N 1 0 376.472 4.138 20 0 GIADRO Cc1noc(C)c1CO[C@@H]1CC[N@H+](Cc2cnc(-c3ccccc3F)s2)C1 ZINC000572471589 823346198 /nfs/dbraw/zinc/34/61/98/823346198.db2.gz SJQARFTZLBTXFX-OAHLLOKOSA-N 1 0 387.480 4.345 20 0 GIADRO CC(C)(C)OC(=O)Cc1ccccc1NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000177013374 823349478 /nfs/dbraw/zinc/34/94/78/823349478.db2.gz DBGMRXBCBRLCMG-GOSISDBHSA-N 1 0 386.536 4.164 20 0 GIADRO Cc1nc(-c2cccs2)ccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000057919643 823348035 /nfs/dbraw/zinc/34/80/35/823348035.db2.gz RAZFPJYMUSZRGW-UHFFFAOYSA-N 1 0 392.528 4.123 20 0 GIADRO COc1ccc(NC(=O)C[NH2+][C@H](Cc2ccccc2)c2ccccc2)cc1OC ZINC000019538724 818594004 /nfs/dbraw/zinc/59/40/04/818594004.db2.gz UULAPWJBIPZIEJ-OAQYLSRUSA-N 1 0 390.483 4.216 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccc(Br)s1 ZINC000189050391 823348505 /nfs/dbraw/zinc/34/85/05/823348505.db2.gz LFHHYNNJNDGWQQ-BXUZGUMPSA-N 1 0 397.313 4.101 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)c3ocnc3-c3ccccc3)C2)s1 ZINC000572489080 823348513 /nfs/dbraw/zinc/34/85/13/823348513.db2.gz BQFBJQXGGCTMMV-QGZVFWFLSA-N 1 0 395.528 4.306 20 0 GIADRO Cc1nc(-c2ccccc2F)sc1C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000019666195 818597137 /nfs/dbraw/zinc/59/71/37/818597137.db2.gz ZJULSMPYXPTJQT-UHFFFAOYSA-N 1 0 375.513 4.062 20 0 GIADRO O[C@H](C[NH2+]Cc1csc(-c2ccco2)n1)c1ccc(OC(F)(F)F)cc1 ZINC000057973971 823351958 /nfs/dbraw/zinc/35/19/58/823351958.db2.gz MORLJOZCHPFMHV-CQSZACIVSA-N 1 0 384.379 4.125 20 0 GIADRO COc1ccc([C@@H]2CCCCC[N@@H+]2C[C@H](O)COCc2ccccc2OC)cc1 ZINC000057974221 823352061 /nfs/dbraw/zinc/35/20/61/823352061.db2.gz RRJZFHUWNWFZGT-GMAHTHKFSA-N 1 0 399.531 4.199 20 0 GIADRO O[C@H](C[NH2+]Cc1cccc(OC(F)F)c1)c1ccc(OC(F)(F)F)cc1 ZINC000057974014 823352094 /nfs/dbraw/zinc/35/20/94/823352094.db2.gz RSWKXQLVWGDOLX-OAHLLOKOSA-N 1 0 377.309 4.010 20 0 GIADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C[C@@H](c1ccccc1)C(F)(F)F ZINC000572518555 823353085 /nfs/dbraw/zinc/35/30/85/823353085.db2.gz DHAMNFXUDOPVOQ-APWZRJJASA-N 1 0 378.438 4.359 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C)cc3)C2=O)ccc1SC ZINC000189079429 823353523 /nfs/dbraw/zinc/35/35/23/823353523.db2.gz BHBCEHWQLUEZEG-QFBILLFUSA-N 1 0 384.545 4.177 20 0 GIADRO COc1ccc(CN(C(=O)C[N@@H+]2CCC[C@H]2c2ccc(OC)cc2)C2CC2)cc1 ZINC000020947615 818642378 /nfs/dbraw/zinc/64/23/78/818642378.db2.gz VNPNMWQDQBRTOS-QHCPKHFHSA-N 1 0 394.515 4.032 20 0 GIADRO C[C@H]1CN(C)c2ccccc2N(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000460323611 823353629 /nfs/dbraw/zinc/35/36/29/823353629.db2.gz HVIKSTKJQSMAAA-FPOVZHCZSA-N 1 0 377.532 4.018 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Cc1c(F)cccc1Cl)c1cccc(OC)c1 ZINC000021070977 818651618 /nfs/dbraw/zinc/65/16/18/818651618.db2.gz LLQFIYWUWSCUCX-HXUWFJFHSA-N 1 0 392.902 4.230 20 0 GIADRO CC[N@@H+]1CCC[C@@H](CN(C)C(=O)c2cccc(C3CCC3)c2)[C@@H]1c1cnn(C)c1 ZINC000409958983 823354340 /nfs/dbraw/zinc/35/43/40/823354340.db2.gz OSDBXIYFKRCLMH-JTHBVZDNSA-N 1 0 394.563 4.233 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O)c1cccc(-c2ccncc2)c1 ZINC000189059451 823350319 /nfs/dbraw/zinc/35/03/19/823350319.db2.gz OFNPDSZGNFAXCI-GAJHUEQPSA-N 1 0 389.474 4.339 20 0 GIADRO C[N@H+](CCC1CCOCC1)CC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000177020938 823351008 /nfs/dbraw/zinc/35/10/08/823351008.db2.gz UYCQCQLCGCKPFJ-UHFFFAOYSA-N 1 0 378.822 4.046 20 0 GIADRO FC(F)(F)c1cc(Cl)cc(C[NH2+]Cc2ccccc2N2CCOCC2)c1 ZINC000189090052 823355919 /nfs/dbraw/zinc/35/59/19/823355919.db2.gz ALEWVPOKJQVJHH-UHFFFAOYSA-N 1 0 384.829 4.485 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2csc(-c3ccc(Cl)s3)n2)[C@H](C)C1 ZINC000122458885 823357524 /nfs/dbraw/zinc/35/75/24/823357524.db2.gz ZJOCPVMXVFEVRH-OCCSQVGLSA-N 1 0 397.997 4.256 20 0 GIADRO CC[C@H](CN(CC)C(=O)C1CC[NH+](C2CCN(CC)CC2)CC1)c1ccccc1 ZINC000572540558 823357505 /nfs/dbraw/zinc/35/75/05/823357505.db2.gz GDXNDQSCKMBSEW-OAQYLSRUSA-N 1 0 399.623 4.225 20 0 GIADRO CCn1ncc2ccc(NC(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)cc21 ZINC000177057544 823361235 /nfs/dbraw/zinc/36/12/35/823361235.db2.gz XOYGYUVNUGONJA-DYESRHJHSA-N 1 0 391.519 4.231 20 0 GIADRO CCCC[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1cc2c(cc1Cl)OCCCO2 ZINC000460352912 823361616 /nfs/dbraw/zinc/36/16/16/823361616.db2.gz OEGHVGPLTNIWCA-HOCLYGCPSA-N 1 0 380.916 4.388 20 0 GIADRO C[C@H](CCCOc1ccccc1C(N)=O)[NH2+][C@H](c1ccccc1)c1ccncc1 ZINC000122473754 823359533 /nfs/dbraw/zinc/35/95/33/823359533.db2.gz FFHRAYXCFOHHHZ-WZONZLPQSA-N 1 0 389.499 4.107 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)C[C@H](C)c3c(C)noc3C)C2)s1 ZINC000572556191 823359964 /nfs/dbraw/zinc/35/99/64/823359964.db2.gz AXBIQTRAIHYEJQ-KSSFIOAISA-N 1 0 389.565 4.135 20 0 GIADRO Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000122477332 823360164 /nfs/dbraw/zinc/36/01/64/823360164.db2.gz ZYDLNDUPABUEQM-CQSZACIVSA-N 1 0 382.291 4.027 20 0 GIADRO Cc1ccc(CNC(=O)c2nnc(C[NH2+][C@H]3CCCC[C@H]3C(C)C)s2)cc1 ZINC000460352529 823361522 /nfs/dbraw/zinc/36/15/22/823361522.db2.gz VVWGAQGRPLMTBX-ROUUACIJSA-N 1 0 386.565 4.081 20 0 GIADRO CN(Cc1ccc(F)cc1Cl)C(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000409979599 823360759 /nfs/dbraw/zinc/36/07/59/823360759.db2.gz XIPJRVYUEUXBIP-UHFFFAOYSA-N 1 0 392.927 4.300 20 0 GIADRO CCCN(CC[NH+]1CCCCCC1)C(=O)NCCCCc1nc(C)cs1 ZINC000460349497 823360834 /nfs/dbraw/zinc/36/08/34/823360834.db2.gz HLRHDLWOAKXYGR-UHFFFAOYSA-N 1 0 380.602 4.072 20 0 GIADRO Cc1noc2nc(-c3ccccc3)cc(C(=O)NC[C@H]3CCC[N@@H+](C(C)C)C3)c12 ZINC000409978876 823360970 /nfs/dbraw/zinc/36/09/70/823360970.db2.gz RRQUYFKPQXMJKJ-QGZVFWFLSA-N 1 0 392.503 4.048 20 0 GIADRO COC(=O)c1c(C[NH2+][C@@H](CCO)C(C)C)nc2ccccc2c1-c1ccccc1 ZINC000460354143 823361981 /nfs/dbraw/zinc/36/19/81/823361981.db2.gz SCLCIVZXJKWVEB-IBGZPJMESA-N 1 0 392.499 4.185 20 0 GIADRO CS[C@@H]1CN(CCOC(c2ccccc2)c2ccccc2)C[C@@H]1[NH+]1CCCC1 ZINC000460354082 823362235 /nfs/dbraw/zinc/36/22/35/823362235.db2.gz SATAXRKPQXEWRA-XZOQPEGZSA-N 1 0 396.600 4.304 20 0 GIADRO Fc1ccc(Cn2cc(C[NH2+]CCc3coc(-c4ccc(F)cc4)n3)cn2)cc1 ZINC000189156823 823366975 /nfs/dbraw/zinc/36/69/75/823366975.db2.gz WQLCMLDQSDSFSL-UHFFFAOYSA-N 1 0 394.425 4.197 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]Cc2cccc(NC(=O)C3CCC3)c2)cc1NC(C)=O ZINC000122492059 823362693 /nfs/dbraw/zinc/36/26/93/823362693.db2.gz UDBKZQRDUNNKFF-OAHLLOKOSA-N 1 0 395.503 4.243 20 0 GIADRO CS(=O)(=O)c1cccc(Oc2ncccc2C[NH2+][C@@H]2CCC23CCCC3)c1 ZINC000189134911 823362845 /nfs/dbraw/zinc/36/28/45/823362845.db2.gz RJZAXIBRQIVXCS-LJQANCHMSA-N 1 0 386.517 4.090 20 0 GIADRO CS[C@@H]1CN(Cc2ncc(-c3cccc(Cl)c3)o2)C[C@@H]1[NH+]1CCCC1 ZINC000460357416 823362853 /nfs/dbraw/zinc/36/28/53/823362853.db2.gz SQBAIDMYIXUENP-FUHWJXTLSA-N 1 0 377.941 4.007 20 0 GIADRO Fc1ccc(Cn2cc(C[NH2+]Cc3cccc(OCC(F)F)c3)cn2)cc1 ZINC000189157217 823366993 /nfs/dbraw/zinc/36/69/93/823366993.db2.gz SHYKIYXZYHCCFH-UHFFFAOYSA-N 1 0 375.394 4.004 20 0 GIADRO CS(=O)(=O)c1cccc(Oc2ncccc2C[NH2+][C@H]2CCC23CCCC3)c1 ZINC000189134938 823363023 /nfs/dbraw/zinc/36/30/23/823363023.db2.gz RJZAXIBRQIVXCS-IBGZPJMESA-N 1 0 386.517 4.090 20 0 GIADRO C[C@@H](C(=O)Nc1ccccc1Cc1ccccc1)[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000189136661 823363167 /nfs/dbraw/zinc/36/31/67/823363167.db2.gz VPMMZRJHHVGHSK-CYFREDJKSA-N 1 0 392.543 4.495 20 0 GIADRO CCN(CC)c1ccc(C(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCC2)cc1 ZINC000058117075 823363218 /nfs/dbraw/zinc/36/32/18/823363218.db2.gz RRHRGRMZSZMXPV-JOCHJYFZSA-N 1 0 395.547 4.108 20 0 GIADRO CCOCc1cccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000177067258 823363541 /nfs/dbraw/zinc/36/35/41/823363541.db2.gz XRNQRNDJBFNMJZ-XMSQKQJNSA-N 1 0 381.520 4.398 20 0 GIADRO COc1ccc([C@@H](CNc2ccc(C(C)=O)cc2[N+](=O)[O-])[NH+]2CCCCC2)cc1 ZINC000022344211 818794335 /nfs/dbraw/zinc/79/43/35/818794335.db2.gz QFPGHHDNGBUZST-JOCHJYFZSA-N 1 0 397.475 4.445 20 0 GIADRO COc1ccc([C@H](CNc2ccc(C(C)=O)cc2[N+](=O)[O-])[NH+]2CCCCC2)cc1 ZINC000022344216 818794588 /nfs/dbraw/zinc/79/45/88/818794588.db2.gz QFPGHHDNGBUZST-QFIPXVFZSA-N 1 0 397.475 4.445 20 0 GIADRO C[NH+](C)CCSc1nc2sc3c(c2c(=O)n1C1CCCC1)CCCC3 ZINC000058138550 823364152 /nfs/dbraw/zinc/36/41/52/823364152.db2.gz UNJRRLBGPRATIB-UHFFFAOYSA-N 1 0 377.579 4.106 20 0 GIADRO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)N[C@H]1CCCC(F)(F)C1 ZINC000460362808 823364194 /nfs/dbraw/zinc/36/41/94/823364194.db2.gz ZSZKPUCJVLLKTD-OALUTQOASA-N 1 0 379.495 4.166 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(NC(=O)C2CCC2)c1)c1ccc(N2CCCC2=O)cc1 ZINC000122503807 823364312 /nfs/dbraw/zinc/36/43/12/823364312.db2.gz NTLZXFWTPRWVJM-QGZVFWFLSA-N 1 0 391.515 4.403 20 0 GIADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cccn2-c2c(Cl)cccc2Cl)CC1 ZINC000409992684 823365037 /nfs/dbraw/zinc/36/50/37/823365037.db2.gz LPFXNIOUESBOHF-CQSZACIVSA-N 1 0 380.319 4.340 20 0 GIADRO CC(=O)Nc1ccc(C)c(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)c1 ZINC000189149122 823365485 /nfs/dbraw/zinc/36/54/85/823365485.db2.gz WKZXCYQTKAIRSG-UHFFFAOYSA-N 1 0 397.544 4.063 20 0 GIADRO Cc1nc(-c2ccccc2)sc1C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000022609268 818832561 /nfs/dbraw/zinc/83/25/61/818832561.db2.gz OUGUDNLBYGTXHF-LJQANCHMSA-N 1 0 379.529 4.021 20 0 GIADRO O=C(c1occc1COc1ccccc1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000022611224 818833541 /nfs/dbraw/zinc/83/35/41/818833541.db2.gz GIMWPFSXSQDKRW-UHFFFAOYSA-N 1 0 390.483 4.207 20 0 GIADRO C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@H](c2ccncc2)C1 ZINC000572563078 823361712 /nfs/dbraw/zinc/36/17/12/823361712.db2.gz OFNPHZSMWYVGJL-ZBFHGGJFSA-N 1 0 377.410 4.307 20 0 GIADRO COCc1cc([C@H](C)[NH2+]Cc2cccc(NC(=O)C3CCC3)c2)ccc1OC ZINC000122487563 823361758 /nfs/dbraw/zinc/36/17/58/823361758.db2.gz HCLJNOLLFMBVFG-INIZCTEOSA-N 1 0 382.504 4.431 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)c1csc2c1CCCC2)[NH+]1CCCC1 ZINC000022679575 818842252 /nfs/dbraw/zinc/84/22/52/818842252.db2.gz LFUMRPYKXNGHDG-LJQANCHMSA-N 1 0 384.545 4.202 20 0 GIADRO CCCc1cc[n+](C(C(=O)c2ccc3c(c2)CCC3)C(=S)NC2CC2)cc1 ZINC000022688841 818844978 /nfs/dbraw/zinc/84/49/78/818844978.db2.gz KBMWFKFALBPNQO-UHFFFAOYSA-O 1 0 379.549 4.106 20 0 GIADRO CC(C)c1ccc(/C=C/CC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000122533267 823368263 /nfs/dbraw/zinc/36/82/63/823368263.db2.gz VKAKDAALMNLMKY-IMFHVMILSA-N 1 0 384.564 4.097 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(Br)cc1F)c1ccccc1 ZINC000022752741 818855791 /nfs/dbraw/zinc/85/57/91/818855791.db2.gz NDSXDJSDUUMJMY-SFHVURJKSA-N 1 0 393.300 4.401 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)COCc1nc2ccccc2s1)c1ccccc1 ZINC000022752328 818855814 /nfs/dbraw/zinc/85/58/14/818855814.db2.gz NTHSGXLPIOCXCJ-IBGZPJMESA-N 1 0 397.544 4.012 20 0 GIADRO COc1ccc(F)cc1CN1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000022777762 818859563 /nfs/dbraw/zinc/85/95/63/818859563.db2.gz MZGMHGNXUIQCJJ-UHFFFAOYSA-N 1 0 380.463 4.011 20 0 GIADRO CCCn1ccc2cc(NC(=O)Nc3ccccc3N3CC[NH+](C)CC3)ccc21 ZINC000058212251 823369024 /nfs/dbraw/zinc/36/90/24/823369024.db2.gz IJOHOLCPOJTULJ-UHFFFAOYSA-N 1 0 391.519 4.447 20 0 GIADRO O=C(NCCC(c1ccccc1)c1ccccc1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000058212167 823369217 /nfs/dbraw/zinc/36/92/17/823369217.db2.gz BMUKNYHDOVSJCG-HSZRJFAPSA-N 1 0 391.559 4.478 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)Nc2ccc(-c3cc[nH]n3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000177092306 823369280 /nfs/dbraw/zinc/36/92/80/823369280.db2.gz LQGGRRQSKDCZFE-UTKZUKDTSA-N 1 0 389.503 4.251 20 0 GIADRO Cc1cc2oc(=O)cc(CN3CCC[N@H+](Cc4ccc(F)cc4)CC3)c2cc1C ZINC000022837161 818865780 /nfs/dbraw/zinc/86/57/80/818865780.db2.gz XRUXACXMGCDFCI-UHFFFAOYSA-N 1 0 394.490 4.257 20 0 GIADRO COc1cccc([C@@H](CNC(=O)CCCOc2ccccc2C)[NH+]2CCCC2)c1 ZINC000022869525 818867928 /nfs/dbraw/zinc/86/79/28/818867928.db2.gz MQUCMPNEOCXSSB-JOCHJYFZSA-N 1 0 396.531 4.116 20 0 GIADRO Cc1ccc([C@H]2CCCCCN2C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)o1 ZINC000572614966 823369547 /nfs/dbraw/zinc/36/95/47/823369547.db2.gz NUDSFOGCCIYPOB-RBUKOAKNSA-N 1 0 376.566 4.249 20 0 GIADRO COc1ccccc1SCC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000122541847 823369652 /nfs/dbraw/zinc/36/96/52/823369652.db2.gz PUYKAJRUEYELLH-QUCCMNQESA-N 1 0 398.572 4.299 20 0 GIADRO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]Cc1noc2ccccc12 ZINC000572617236 823369687 /nfs/dbraw/zinc/36/96/87/823369687.db2.gz WSHNJZCRFBLMTL-GFCCVEGCSA-N 1 0 393.365 4.233 20 0 GIADRO COc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC([C@@H]3CCCO3)CC2)cc1 ZINC000189172172 823369742 /nfs/dbraw/zinc/36/97/42/823369742.db2.gz BBTHTTYAPSIECK-XZOQPEGZSA-N 1 0 394.515 4.266 20 0 GIADRO C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000572641259 823373267 /nfs/dbraw/zinc/37/32/67/823373267.db2.gz ZVHUWGIHCIXPQG-KSSFIOAISA-N 1 0 382.470 4.121 20 0 GIADRO O=C(NC[C@H]1CCC[NH2+]C1)N[C@H](c1ccccc1Cl)c1cc(F)ccc1F ZINC000572618515 823370002 /nfs/dbraw/zinc/37/00/02/823370002.db2.gz NUQWCEWOFYUEHO-ORAYPTAESA-N 1 0 393.865 4.006 20 0 GIADRO CCCOc1ccc(C(F)(F)F)cc1NC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000410007518 823370022 /nfs/dbraw/zinc/37/00/22/823370022.db2.gz TZXWYGVDUCILFD-UHFFFAOYSA-N 1 0 399.457 4.490 20 0 GIADRO C[C@@H](CNC(=O)C1(c2ccc(Br)cc2)CCC1)[N@@H+]1CCCC[C@H]1C ZINC000058231075 823370357 /nfs/dbraw/zinc/37/03/57/823370357.db2.gz FTEVLWODFNHLBJ-CVEARBPZSA-N 1 0 393.369 4.250 20 0 GIADRO COc1cccc(CCC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)c1 ZINC000022965433 818881284 /nfs/dbraw/zinc/88/12/84/818881284.db2.gz CBOHVEOCMDXPGQ-OAQYLSRUSA-N 1 0 386.923 4.235 20 0 GIADRO C[N@H+](CCCNC(=O)c1cnc(-c2ccccc2F)s1)Cc1ccccc1 ZINC000410011393 823370811 /nfs/dbraw/zinc/37/08/11/823370811.db2.gz MNTSPYPAIRIHIX-UHFFFAOYSA-N 1 0 383.492 4.201 20 0 GIADRO O=C(NCC1CC[NH+](Cc2ccncc2)CC1)c1ccc(-c2ccccc2)cc1 ZINC000023016018 818887600 /nfs/dbraw/zinc/88/76/00/818887600.db2.gz SCVSNAOXONMYRI-UHFFFAOYSA-N 1 0 385.511 4.391 20 0 GIADRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+][C@@H]3CCc4c3ccc(OC)c4F)ccc2NC1=O ZINC000572625801 823371081 /nfs/dbraw/zinc/37/10/81/823371081.db2.gz WTRGNUZPVHVWEO-NJAPINKUSA-N 1 0 384.451 4.282 20 0 GIADRO CNc1nc(CNC(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)cs1 ZINC000177101319 823371208 /nfs/dbraw/zinc/37/12/08/823371208.db2.gz ZHOIZSLGGIDQMX-UHFFFAOYSA-N 1 0 387.553 4.271 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(C)c(Cl)c2)c(C)c1OC ZINC000572629220 823371453 /nfs/dbraw/zinc/37/14/53/823371453.db2.gz LTHGAGQTGBCDOW-CQSZACIVSA-N 1 0 376.884 4.263 20 0 GIADRO CCOCc1cc(C[NH2+]Cc2ccc(Br)cc2OC)ccc1OC ZINC000189184751 823371655 /nfs/dbraw/zinc/37/16/55/823371655.db2.gz ZKQAPWMODJCRGA-UHFFFAOYSA-N 1 0 394.309 4.293 20 0 GIADRO Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000189187108 823372399 /nfs/dbraw/zinc/37/23/99/823372399.db2.gz FKPKTFNABDSQGO-ABAIWWIYSA-N 1 0 393.409 4.024 20 0 GIADRO COc1cc(Br)ccc1C[NH2+]Cc1c[nH]nc1-c1ccc(C)cc1 ZINC000189187962 823372690 /nfs/dbraw/zinc/37/26/90/823372690.db2.gz JSJUONQVWSYJJP-UHFFFAOYSA-N 1 0 386.293 4.446 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)c2cc3ccccc3cc2OC)CC1 ZINC000023229029 818914662 /nfs/dbraw/zinc/91/46/62/818914662.db2.gz WAVFQVUGERBMKW-UHFFFAOYSA-N 1 0 389.499 4.243 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)Nc2cnn(-c3ccccc3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000177110428 823373842 /nfs/dbraw/zinc/37/38/42/823373842.db2.gz CRNCFAUZUWSHSM-UYAOXDASSA-N 1 0 389.503 4.047 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)Nc2cnn(-c3ccccc3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000177110462 823373859 /nfs/dbraw/zinc/37/38/59/823373859.db2.gz CRNCFAUZUWSHSM-QUCCMNQESA-N 1 0 389.503 4.047 20 0 GIADRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2sc(-c3ccc(Cl)cc3)nc2C)C1 ZINC000058275876 823374139 /nfs/dbraw/zinc/37/41/39/823374139.db2.gz HGSPIPWJIRXMTR-AWEZNQCLSA-N 1 0 377.941 4.234 20 0 GIADRO OCCC[N@H+](Cc1ccc(-n2ccnc2)nc1)C(c1ccccc1)c1ccccc1 ZINC000177112367 823374393 /nfs/dbraw/zinc/37/43/93/823374393.db2.gz GBNUJUQQIYGAJV-UHFFFAOYSA-N 1 0 398.510 4.241 20 0 GIADRO C[C@H]1CN(C(=O)NCc2ccccc2C[NH+]2CCCC2)C[C@@H](c2ccsc2)O1 ZINC000177114586 823374706 /nfs/dbraw/zinc/37/47/06/823374706.db2.gz YUFQZSUSZINBPQ-UWJYYQICSA-N 1 0 399.560 4.016 20 0 GIADRO CC[NH+]1CCN(CC(=O)Nc2ccc(Sc3ccc(C)c(C)c3)cc2)CC1 ZINC000023467874 818944438 /nfs/dbraw/zinc/94/44/38/818944438.db2.gz LSCFGDBAQAKYEX-UHFFFAOYSA-N 1 0 383.561 4.031 20 0 GIADRO COc1cccc([C@@H](CNC(=O)CCc2cc3ccccc3o2)[NH+]2CCCC2)c1 ZINC000023483355 818945185 /nfs/dbraw/zinc/94/51/85/818945185.db2.gz KAKACBWBQAXPHM-JOCHJYFZSA-N 1 0 392.499 4.327 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)CCc1cccnc1)c1ccc(C(F)(F)F)cc1 ZINC000122576186 823375450 /nfs/dbraw/zinc/37/54/50/823375450.db2.gz BXSUHOOZCRYVDR-IBGZPJMESA-N 1 0 393.453 4.232 20 0 GIADRO CCCNC(=O)C1([NH2+]CC(=O)Nc2ccccc2-c2ccccc2)CCCCC1 ZINC000177118195 823375612 /nfs/dbraw/zinc/37/56/12/823375612.db2.gz YATSTDBJBOXGMN-UHFFFAOYSA-N 1 0 393.531 4.111 20 0 GIADRO Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)NCC[NH2+]C(C)(C)C)cs1 ZINC000572654797 823376676 /nfs/dbraw/zinc/37/66/76/823376676.db2.gz NEHGQFRLSBPUFD-UHFFFAOYSA-N 1 0 377.529 4.040 20 0 GIADRO CC1(C)CN(c2nnc([C@@H]3CCCS3)n2C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000572655923 823376877 /nfs/dbraw/zinc/37/68/77/823376877.db2.gz LDDKJIDWKMEBNP-IBGZPJMESA-N 1 0 397.592 4.282 20 0 GIADRO CC(=O)CCc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2cccc3ccccc32)cc1 ZINC000023676545 818972583 /nfs/dbraw/zinc/97/25/83/818972583.db2.gz FTKGFDUVNAHBDT-UGKGYDQZSA-N 1 0 391.511 4.452 20 0 GIADRO CCOc1ccc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1OCC ZINC000023738738 818977113 /nfs/dbraw/zinc/97/71/13/818977113.db2.gz IWYDQZVZXHFWMP-FQEVSTJZSA-N 1 0 382.504 4.051 20 0 GIADRO Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000023798381 818985000 /nfs/dbraw/zinc/98/50/00/818985000.db2.gz IBBOYXISRPHLAI-UHFFFAOYSA-N 1 0 386.515 4.013 20 0 GIADRO C[C@H]1C[C@H](NC(=O)Nc2ccc3c(c2)C(=O)CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000177127998 823378060 /nfs/dbraw/zinc/37/80/60/823378060.db2.gz JJQNOCFHUMFASH-LAUBAEHRSA-N 1 0 391.515 4.380 20 0 GIADRO CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)CCC(=O)c1ccccc1 ZINC000410046819 823378945 /nfs/dbraw/zinc/37/89/45/823378945.db2.gz DKUGBHGXBUOLRV-HSZRJFAPSA-N 1 0 392.543 4.239 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)CSc1ccc(C)cc1)[NH+]1CCCC1 ZINC000023985294 819002427 /nfs/dbraw/zinc/00/24/27/819002427.db2.gz FNXVNONQABAMSG-HXUWFJFHSA-N 1 0 384.545 4.049 20 0 GIADRO CCC[N@H+](CC(=O)Nc1ccccc1C(=O)NC1CCCC1)Cc1ccccc1 ZINC000023992243 819003585 /nfs/dbraw/zinc/00/35/85/819003585.db2.gz JJNCHJHYNCUJHR-UHFFFAOYSA-N 1 0 393.531 4.210 20 0 GIADRO CCc1noc(-c2ccc(C)c(NC(=O)NCCCC[N@@H+]3CCC[C@H](C)C3)c2)n1 ZINC000177150565 823383869 /nfs/dbraw/zinc/38/38/69/823383869.db2.gz NMHZQOGADAZJKN-INIZCTEOSA-N 1 0 399.539 4.241 20 0 GIADRO O[C@H](C[NH2+]Cc1cc2ccccc2s1)COc1ccc(Br)cc1 ZINC000572673308 823379793 /nfs/dbraw/zinc/37/97/93/823379793.db2.gz UXJFGNQYGJATAM-OAHLLOKOSA-N 1 0 392.318 4.193 20 0 GIADRO C/C=C/c1ccc(OC[C@H](O)C[N@H+](C)Cc2ccc(Cl)s2)c(OC)c1 ZINC000024068192 819017855 /nfs/dbraw/zinc/01/78/55/819017855.db2.gz BVFBBUVFMWZXEQ-MBVDDHJVSA-N 1 0 381.925 4.315 20 0 GIADRO C[NH+](C)Cc1ccccc1CNC(=O)COC(c1ccccc1)c1ccccc1 ZINC000024084569 819021279 /nfs/dbraw/zinc/02/12/79/819021279.db2.gz MMUHCXSAPINQEB-UHFFFAOYSA-N 1 0 388.511 4.171 20 0 GIADRO O=C(c1sc2cc(F)ccc2c1Cl)N1CCN(c2cc[nH+]cc2)CC1 ZINC000024086654 819021590 /nfs/dbraw/zinc/02/15/90/819021590.db2.gz MNCIFHKZMJTGAS-UHFFFAOYSA-N 1 0 375.856 4.051 20 0 GIADRO COc1ccc([C@H](C)[NH2+]C[C@@H](O)COc2ccc(C(C)(C)C)cc2)cc1F ZINC000024102411 819023844 /nfs/dbraw/zinc/02/38/44/819023844.db2.gz OPIWAXGYLFEJMP-MAUKXSAKSA-N 1 0 375.484 4.222 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)cc1F ZINC000024102350 819023962 /nfs/dbraw/zinc/02/39/62/819023962.db2.gz SPVWIMBLRCXFLU-YPMHNXCESA-N 1 0 388.266 4.232 20 0 GIADRO CN1CC[C@@H]([NH2+]Cc2ncc(Br)s2)[C@H]1c1ccc(Cl)cc1 ZINC000572676715 823380567 /nfs/dbraw/zinc/38/05/67/823380567.db2.gz HYZYGEWFZAXWNA-IUODEOHRSA-N 1 0 386.746 4.094 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1nc(Cl)ccc1Cl ZINC000058349817 823381294 /nfs/dbraw/zinc/38/12/94/823381294.db2.gz SABIQIXXZSWLCB-UHFFFAOYSA-N 1 0 398.721 4.436 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)c2cc(NC(=O)CC(C)(C)C)ccc2Cl)C[N@@H+]1C1CC1 ZINC000177151335 823384079 /nfs/dbraw/zinc/38/40/79/823384079.db2.gz VUPZUAOBKITSDX-UKRRQHHQSA-N 1 0 391.943 4.070 20 0 GIADRO CC(=O)Nc1ccc(C)c(C(=O)Nc2cc(C[NH+]3CCSCC3)ccc2C)c1 ZINC000189269646 823384153 /nfs/dbraw/zinc/38/41/53/823384153.db2.gz XUULUJMRKZLBBA-UHFFFAOYSA-N 1 0 397.544 4.063 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc2c1OCCCO2)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000122617163 823382174 /nfs/dbraw/zinc/38/21/74/823382174.db2.gz UEKMRMYPEQLANG-WZONZLPQSA-N 1 0 397.515 4.263 20 0 GIADRO Cc1oc(-c2cccs2)nc1CC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000024357558 819050509 /nfs/dbraw/zinc/05/05/09/819050509.db2.gz IIEAEEMSRMKXJQ-LJQANCHMSA-N 1 0 395.528 4.207 20 0 GIADRO O=C(CC1([NH+]2CCOCC2)CCCC1)NC(c1cccs1)c1cccs1 ZINC000122616181 823382262 /nfs/dbraw/zinc/38/22/62/823382262.db2.gz YXFFMHOKVHJJGI-UHFFFAOYSA-N 1 0 390.574 4.050 20 0 GIADRO Cc1ccccc1-n1ncc(C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)c1C(C)C ZINC000189270140 823384262 /nfs/dbraw/zinc/38/42/62/823384262.db2.gz OXAGTIHLRJJLCG-IBGZPJMESA-N 1 0 382.552 4.012 20 0 GIADRO CCc1noc(-c2ccc(C)c(NC(=O)NC[C@H](c3cccs3)[NH+](C)C)c2)n1 ZINC000177148713 823383030 /nfs/dbraw/zinc/38/30/30/823383030.db2.gz HGWLXJRVKKZIPM-MRXNPFEDSA-N 1 0 399.520 4.093 20 0 GIADRO Cc1oc(-c2cccs2)nc1CC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000024493236 819064249 /nfs/dbraw/zinc/06/42/49/819064249.db2.gz OYDMSPLKDMGEMB-QGZVFWFLSA-N 1 0 399.516 4.190 20 0 GIADRO CN(C)C(=O)Sc1cccc(C[N@H+](CCc2ccccc2)[C@H]2CCOC2)c1 ZINC000177150521 823383712 /nfs/dbraw/zinc/38/37/12/823383712.db2.gz ZABMNMAGAGNZPO-FQEVSTJZSA-N 1 0 384.545 4.294 20 0 GIADRO COc1ccc(-c2nc(C)c(C(=O)NC[C@H](c3ccccc3)[NH+](C)C)s2)cc1 ZINC000024577609 819074744 /nfs/dbraw/zinc/07/47/44/819074744.db2.gz NPIOOOSJKMLOQZ-LJQANCHMSA-N 1 0 395.528 4.160 20 0 GIADRO Cc1ccc2cc(C[NH2+]Cc3cccc(NC(=O)c4ccncc4)c3)ccc2n1 ZINC000189272769 823384526 /nfs/dbraw/zinc/38/45/26/823384526.db2.gz OJTJRBKINLQBMS-UHFFFAOYSA-N 1 0 382.467 4.480 20 0 GIADRO CC(C)[C@@H](C[NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1)c1cccnc1 ZINC000189278756 823385547 /nfs/dbraw/zinc/38/55/47/823385547.db2.gz LONSWRQHSYYUEO-OBFZPWGMSA-N 1 0 391.515 4.018 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)CCOc2ccccc2Cl)CC1 ZINC000058400196 823386259 /nfs/dbraw/zinc/38/62/59/823386259.db2.gz UKJGJVLIQCFOAJ-UHFFFAOYSA-N 1 0 386.923 4.198 20 0 GIADRO C[NH+]1CCN(c2ccccc2NC(=O)CSc2ccc3ccccc3c2)CC1 ZINC000058401281 823386485 /nfs/dbraw/zinc/38/64/85/823386485.db2.gz XRBWCAMBTSMXQH-UHFFFAOYSA-N 1 0 391.540 4.322 20 0 GIADRO COc1ccccc1-c1nnc(SC[C@H](C)[NH+](C)C)n1CCc1ccccc1 ZINC000460451825 823393836 /nfs/dbraw/zinc/39/38/36/823393836.db2.gz FGHXBWOSPUTALH-KRWDZBQOSA-N 1 0 396.560 4.239 20 0 GIADRO COc1ccc2[nH]c(C(=O)N(C)[C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)cc2c1 ZINC000189314359 823392372 /nfs/dbraw/zinc/39/23/72/823392372.db2.gz XNNMSBUCTOZXAA-XLIONFOSSA-N 1 0 391.515 4.302 20 0 GIADRO C[C@@H](CSc1nnc(COc2ccccc2F)n1-c1ccccc1)[NH+](C)C ZINC000460448189 823392695 /nfs/dbraw/zinc/39/26/95/823392695.db2.gz KWGHKRSPMPBRGW-HNNXBMFYSA-N 1 0 386.496 4.028 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc(OCC(F)(F)F)cc1)C(=O)NCc1ccc(F)cc1 ZINC000122681474 823393347 /nfs/dbraw/zinc/39/33/47/823393347.db2.gz YQYUDUULEGFADA-ZIAGYGMSSA-N 1 0 398.400 4.122 20 0 GIADRO CCC(CC)n1nccc1C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000572728325 823389688 /nfs/dbraw/zinc/38/96/88/823389688.db2.gz KLPJMWDNDDIKGY-KRWDZBQOSA-N 1 0 388.581 4.208 20 0 GIADRO C[N@H+](CC(=O)N[C@@H](c1nccs1)c1ccccc1)CC1(c2ccccc2)CC1 ZINC000189321389 823393660 /nfs/dbraw/zinc/39/36/60/823393660.db2.gz MYQIWYKNRZPMCF-OAQYLSRUSA-N 1 0 391.540 4.012 20 0 GIADRO CCOc1ccc(C(F)(F)F)cc1NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000058433408 823390744 /nfs/dbraw/zinc/39/07/44/823390744.db2.gz GOZQUJFMVMLYMJ-UHFFFAOYSA-N 1 0 387.446 4.442 20 0 GIADRO CCOCCOc1c(Cl)cccc1NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000058437188 823391647 /nfs/dbraw/zinc/39/16/47/823391647.db2.gz GEECCODJQYCMQP-UHFFFAOYSA-N 1 0 397.947 4.093 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1ccc2nc(C3CC3)oc2c1)c1ccc(F)cc1 ZINC000177184380 823394172 /nfs/dbraw/zinc/39/41/72/823394172.db2.gz RHSSDFLEPIPCSQ-GOSISDBHSA-N 1 0 382.439 4.269 20 0 GIADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(OC)c2)cc1 ZINC000177186823 823394622 /nfs/dbraw/zinc/39/46/22/823394622.db2.gz VEZJFLMYRLRGDX-IRXDYDNUSA-N 1 0 390.549 4.138 20 0 GIADRO COc1ccc(-c2ccc(C(=O)N(C)[C@H]3CC[N@H+](C)[C@H](C)C3)c(F)c2)c(F)c1 ZINC000122688244 823395034 /nfs/dbraw/zinc/39/50/34/823395034.db2.gz VLZXZXRHIWAMJG-ZBFHGGJFSA-N 1 0 388.458 4.195 20 0 GIADRO C[C@H]1CC[NH2+][C@H](C(=O)Nc2ccc(Oc3cccc(C(F)(F)F)n3)cc2)C1 ZINC000572768451 823395731 /nfs/dbraw/zinc/39/57/31/823395731.db2.gz AUCNDSPOEQRRAL-WFASDCNBSA-N 1 0 379.382 4.219 20 0 GIADRO CSC1(CNC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2Cl)CC[NH+](C)CC1 ZINC000572772049 823396094 /nfs/dbraw/zinc/39/60/94/823396094.db2.gz HTVICTLKASHFMZ-KBPBESRZSA-N 1 0 387.376 4.041 20 0 GIADRO O=C(c1ccnc(Cl)c1)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000122698343 823396732 /nfs/dbraw/zinc/39/67/32/823396732.db2.gz DFWUTWNNYAHITM-UHFFFAOYSA-N 1 0 397.828 4.102 20 0 GIADRO Cn1cc(C[NH2+]Cc2cc3ccccc3[nH]2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000058473859 823396867 /nfs/dbraw/zinc/39/68/67/823396867.db2.gz JVNWVUSNTSGAOY-UHFFFAOYSA-N 1 0 388.471 4.020 20 0 GIADRO Cc1cn(-c2ccccc2)nc1NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000122698834 823396909 /nfs/dbraw/zinc/39/69/09/823396909.db2.gz PHSCFUZHTLZLON-UHFFFAOYSA-N 1 0 395.551 4.345 20 0 GIADRO Cc1nc(CSc2ccc(C(=O)N[C@@H]3C[C@@H](C)[N@@H+](C4CC4)C3)cc2)cs1 ZINC000177199605 823397229 /nfs/dbraw/zinc/39/72/29/823397229.db2.gz ZCSCUZKQGWTKNX-CZUORRHYSA-N 1 0 387.574 4.099 20 0 GIADRO COc1cc(NC(=O)CC[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)c(OC)cc1Cl ZINC000177202856 823398267 /nfs/dbraw/zinc/39/82/67/823398267.db2.gz KGQPOJHSKDSLRB-MAUKXSAKSA-N 1 0 398.956 4.046 20 0 GIADRO C[C@@H]([NH2+]C1(CNCc2ccc(Cl)cc2F)CCOCC1)c1ccccc1 ZINC000189354144 823399816 /nfs/dbraw/zinc/39/98/16/823399816.db2.gz SSPZQVVCXHBADD-MRXNPFEDSA-N 1 0 376.903 4.469 20 0 GIADRO C[C@H]1CCC[N@H+](CCCCNC(=O)NCc2ccc(F)cc2C(F)(F)F)C1 ZINC000410143784 823400944 /nfs/dbraw/zinc/40/09/44/823400944.db2.gz DXUNKQWTJPEWQQ-AWEZNQCLSA-N 1 0 389.437 4.156 20 0 GIADRO CCOC(=O)N1CCC([C@H](C)[NH2+]Cc2ccc(OCc3ccncc3)cc2)CC1 ZINC000189366477 823401741 /nfs/dbraw/zinc/40/17/41/823401741.db2.gz JTYQJNJQIHJBTG-SFHVURJKSA-N 1 0 397.519 4.007 20 0 GIADRO COc1cccc([C@H](C)[NH2+]C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1 ZINC000177217623 823402104 /nfs/dbraw/zinc/40/21/04/823402104.db2.gz MMQPZEVITLUDBA-AWEZNQCLSA-N 1 0 379.426 4.429 20 0 GIADRO C[C@H](NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)c1ccc(F)cc1F ZINC000460476758 823402242 /nfs/dbraw/zinc/40/22/42/823402242.db2.gz QFTHNRHDJHVVRF-YTQUADARSA-N 1 0 399.485 4.189 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Nc2ccc(N(C)C)cc2)C1 ZINC000058520894 823403139 /nfs/dbraw/zinc/40/31/39/823403139.db2.gz FHCATDXXRQZQSQ-GOSISDBHSA-N 1 0 380.536 4.306 20 0 GIADRO Cc1cc(NC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)ccc1Br ZINC000058522278 823403444 /nfs/dbraw/zinc/40/34/44/823403444.db2.gz IHELISLGZMAHNX-CQSZACIVSA-N 1 0 382.346 4.391 20 0 GIADRO Cc1cccc2c1OCC[C@H]2[NH2+][C@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000189379044 823404271 /nfs/dbraw/zinc/40/42/71/823404271.db2.gz BHQLVAUQZNRNKR-DYESRHJHSA-N 1 0 377.488 4.482 20 0 GIADRO CN(C)C(=O)COc1cccc(C[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)c1 ZINC000177228536 823404832 /nfs/dbraw/zinc/40/48/32/823404832.db2.gz JLTZAVOWCRQMMW-XMMPIXPASA-N 1 0 392.474 4.172 20 0 GIADRO CCOC(=O)N1CCC([C@H](C)[NH2+]Cc2csc(-c3ccsc3)n2)CC1 ZINC000189381009 823404970 /nfs/dbraw/zinc/40/49/70/823404970.db2.gz LLNWUCGAIMTWPK-ZDUSSCGKSA-N 1 0 379.551 4.218 20 0 GIADRO C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000410159016 823405634 /nfs/dbraw/zinc/40/56/34/823405634.db2.gz SSVMWNOSMMIBAN-CXAGYDPISA-N 1 0 397.302 4.307 20 0 GIADRO COc1cccc(C[NH2+][C@@H](C)[C@H](OC2CCOCC2)c2ccccc2)c1OC ZINC000122751488 823405788 /nfs/dbraw/zinc/40/57/88/823405788.db2.gz BVJZYXAYPVITAG-JTSKRJEESA-N 1 0 385.504 4.119 20 0 GIADRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)C(C)(C)CC(C)C)CC2)c1C ZINC000177231595 823405803 /nfs/dbraw/zinc/40/58/03/823405803.db2.gz YEWRABXYQGJGJI-UHFFFAOYSA-N 1 0 389.584 4.202 20 0 GIADRO COc1cccc([C@@H](CNC(=O)Nc2ccsc2Cl)[NH+]2CCCC2)c1 ZINC000189386911 823405929 /nfs/dbraw/zinc/40/59/29/823405929.db2.gz QSJWWSUAGWXTES-MRXNPFEDSA-N 1 0 379.913 4.369 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)c1ccc(Cl)nc1Cl ZINC000122756394 823406809 /nfs/dbraw/zinc/40/68/09/823406809.db2.gz FBXNWRHEHLEADJ-UHFFFAOYSA-N 1 0 396.343 4.232 20 0 GIADRO COCCc1ccccc1NC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000189391025 823406905 /nfs/dbraw/zinc/40/69/05/823406905.db2.gz VSHCVAURNHBBCX-QFIPXVFZSA-N 1 0 381.520 4.143 20 0 GIADRO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)Cc1ccc(Cl)s1 ZINC000189396703 823407868 /nfs/dbraw/zinc/40/78/68/823407868.db2.gz ULORQGLWUHMLSL-CYBMUJFWSA-N 1 0 384.954 4.134 20 0 GIADRO COc1ccc2c(c1)[C@H](C(=O)N(C)C[C@@H]1CC[N@H+](Cc3ccc(C)s3)C1)CC2 ZINC000572847953 823408862 /nfs/dbraw/zinc/40/88/62/823408862.db2.gz XYQXJDJCWYQIMG-LAUBAEHRSA-N 1 0 398.572 4.075 20 0 GIADRO O=C(CCC(=O)c1ccc2c(c1)CCC2)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177246897 823408904 /nfs/dbraw/zinc/40/89/04/823408904.db2.gz KAMNRCUYCQFVNG-UHFFFAOYSA-N 1 0 382.548 4.052 20 0 GIADRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)c1 ZINC000189415277 823411498 /nfs/dbraw/zinc/41/14/98/823411498.db2.gz VFMPMTYWEALSCO-BZNIZROVSA-N 1 0 395.286 4.164 20 0 GIADRO Cc1ccc(Cl)c(OCC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)c1 ZINC000410178777 823412088 /nfs/dbraw/zinc/41/20/88/823412088.db2.gz NVCUUPSBNSDUTF-UHFFFAOYSA-N 1 0 390.936 4.215 20 0 GIADRO CC(=O)Oc1ccc(C[N@@H+](C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)cc1 ZINC000122786617 823412167 /nfs/dbraw/zinc/41/21/67/823412167.db2.gz FROHABJFISCCLK-OALUTQOASA-N 1 0 380.271 4.009 20 0 GIADRO Cc1cccc(O[C@@H](C)C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)c1 ZINC000122768246 823409015 /nfs/dbraw/zinc/40/90/15/823409015.db2.gz FPDDQRQAMMTAAG-KRWDZBQOSA-N 1 0 386.923 4.310 20 0 GIADRO C[C@@H](NC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)c1ccc(F)cc1F ZINC000460500294 823409325 /nfs/dbraw/zinc/40/93/25/823409325.db2.gz QFTHNRHDJHVVRF-BHIYHBOVSA-N 1 0 399.485 4.189 20 0 GIADRO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N(CCC(F)(F)F)CC1CC1 ZINC000177263511 823413615 /nfs/dbraw/zinc/41/36/15/823413615.db2.gz SZAMHIFBPMYUME-GOSISDBHSA-N 1 0 383.458 4.198 20 0 GIADRO Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177252148 823409901 /nfs/dbraw/zinc/40/99/01/823409901.db2.gz FOEZODCTTJRFLR-UHFFFAOYSA-N 1 0 398.526 4.155 20 0 GIADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)N[C@@H](c3cc4ccccc4o3)c3ccccc3)C[C@@H]21 ZINC000572856369 823409979 /nfs/dbraw/zinc/40/99/79/823409979.db2.gz VFOOCBMLYIWMHP-VLVHOKLOSA-N 1 0 389.499 4.291 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)N[C@@H](Cc2ccccc2C(F)(F)F)C(C)(C)C)CC[N@@H+]1C ZINC000460525222 823419208 /nfs/dbraw/zinc/41/92/08/823419208.db2.gz IHJGHUJERQFULB-HFTRVMKXSA-N 1 0 399.501 4.445 20 0 GIADRO CN(C)c1cccc(C(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)c1 ZINC000058619458 823418130 /nfs/dbraw/zinc/41/81/30/823418130.db2.gz HKKUULVDZAGWLK-UHFFFAOYSA-N 1 0 387.527 4.411 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2nc3ccc(C)cc3s2)c(C)c1OC ZINC000572909264 823418156 /nfs/dbraw/zinc/41/81/56/823418156.db2.gz JRRSXYJSTJKTQK-CQSZACIVSA-N 1 0 399.516 4.220 20 0 GIADRO Cc1ccc(CNC(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)s1 ZINC000410203094 823418585 /nfs/dbraw/zinc/41/85/85/823418585.db2.gz QLJYWQWQSNRFNX-QGZVFWFLSA-N 1 0 377.579 4.390 20 0 GIADRO Fc1cccc(Cl)c1CN1CCC([NH2+]CCc2ccc(Cl)nc2)CC1 ZINC000122847397 823422663 /nfs/dbraw/zinc/42/26/63/823422663.db2.gz DTDUPZZOKSHQEY-UHFFFAOYSA-N 1 0 382.310 4.324 20 0 GIADRO Cc1cccc2c1OCC[C@@H]2[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000189468255 823423624 /nfs/dbraw/zinc/42/36/24/823423624.db2.gz BHQLVAUQZNRNKR-UWJYYQICSA-N 1 0 377.488 4.482 20 0 GIADRO O=C(NCc1cccc(C(F)(F)F)c1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177293714 823423747 /nfs/dbraw/zinc/42/37/47/823423747.db2.gz UKVXAEMYPQQPJS-UHFFFAOYSA-N 1 0 383.458 4.302 20 0 GIADRO Cc1noc(C[C@H]([NH2+][C@@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)c2ccccc2)n1 ZINC000572938187 823423978 /nfs/dbraw/zinc/42/39/78/823423978.db2.gz UBJYABALGKQEDD-XOBRGWDASA-N 1 0 390.487 4.242 20 0 GIADRO CC1(C)CN(C(=O)NC2CC[NH+](C3CCCC3)CC2)CC[C@@H]1C(F)(F)F ZINC000189454846 823420668 /nfs/dbraw/zinc/42/06/68/823420668.db2.gz CFIVMEXXAGDYMX-INIZCTEOSA-N 1 0 375.479 4.013 20 0 GIADRO CC(=O)Nc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3c(C)cc(C)cc3C)C2=O)cc1 ZINC000189454811 823420778 /nfs/dbraw/zinc/42/07/78/823420778.db2.gz HBGBRWGGLSWMEN-DYESRHJHSA-N 1 0 379.504 4.026 20 0 GIADRO COc1ccc(C[C@](C)(O)C[NH2+][C@@H](C)c2ccc(Cl)c(F)c2)cc1OC ZINC000572924736 823420806 /nfs/dbraw/zinc/42/08/06/823420806.db2.gz CNZFAFKAXFCBAE-RBZFPXEDSA-N 1 0 381.875 4.141 20 0 GIADRO C[C@H](CNC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)Cc1cccs1 ZINC000460528750 823420925 /nfs/dbraw/zinc/42/09/25/823420925.db2.gz QFJXJPFTXPLEKD-JBACZVJFSA-N 1 0 397.588 4.090 20 0 GIADRO C[N@H+](CCc1ccc(F)cc1Cl)C1CCN(CCc2ccccn2)CC1 ZINC000572926873 823421148 /nfs/dbraw/zinc/42/11/48/823421148.db2.gz RSCFAGVBODMDKI-UHFFFAOYSA-N 1 0 375.919 4.056 20 0 GIADRO COCCc1ccccc1NC(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000189476306 823425480 /nfs/dbraw/zinc/42/54/80/823425480.db2.gz PRTPCAPYZLCRDV-OALUTQOASA-N 1 0 395.547 4.154 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(NC(=O)c2cccs2)c(C)c1 ZINC000122863691 823425447 /nfs/dbraw/zinc/42/54/47/823425447.db2.gz KCJBPJMZELXRJG-MSOLQXFVSA-N 1 0 397.544 4.008 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)C1CCN(c2nc3ccccc3o2)CC1 ZINC000177301434 823426793 /nfs/dbraw/zinc/42/67/93/823426793.db2.gz JOPVBDZSSWQSOQ-UHFFFAOYSA-N 1 0 392.503 4.053 20 0 GIADRO Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+][C@@H]1CCN(C(C)(C)C)C1=O ZINC000572959963 823426898 /nfs/dbraw/zinc/42/68/98/823426898.db2.gz LCLRZXNHYMVYDB-MLGOLLRUSA-N 1 0 375.513 4.308 20 0 GIADRO C[C@@H]([NH2+]CCCN(C(=O)C1CCC1)C1CC1)c1cccc(Br)c1 ZINC000410230032 823427094 /nfs/dbraw/zinc/42/70/94/823427094.db2.gz LBJPYEYRIFVQCL-CQSZACIVSA-N 1 0 379.342 4.281 20 0 GIADRO Cc1c(C(=O)Nc2cc(C[NH+](C)C)ccc2C)cnn1-c1ccccc1Cl ZINC000177306315 823428035 /nfs/dbraw/zinc/42/80/35/823428035.db2.gz ZBQBTYJPMUTDAA-UHFFFAOYSA-N 1 0 382.895 4.456 20 0 GIADRO CC[C@H](c1ccncc1)N(C)C(=O)NC[C@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC000122882588 823428428 /nfs/dbraw/zinc/42/84/28/823428428.db2.gz BKCVKKTYVGHBKZ-FCHUYYIVSA-N 1 0 380.536 4.011 20 0 GIADRO CCS[C@H]1CCCC[C@H]1[NH2+]Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000189488677 823428784 /nfs/dbraw/zinc/42/87/84/823428784.db2.gz VNMFWLJYNMXSLV-MSOLQXFVSA-N 1 0 389.590 4.227 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)NCc2ccc(OC(C)C)cc2)c1 ZINC000410237671 823429948 /nfs/dbraw/zinc/42/99/48/823429948.db2.gz QVNNSWIWCWFCIC-UHFFFAOYSA-N 1 0 383.536 4.315 20 0 GIADRO CC[C@H]([NH2+][C@H](C)CC(=O)Nc1cc(OC)ccc1OC)c1ccc(OC)cc1 ZINC000122892855 823429975 /nfs/dbraw/zinc/42/99/75/823429975.db2.gz WUKWXUSPVJRAKT-BEFAXECRSA-N 1 0 386.492 4.170 20 0 GIADRO CC[C@@H]([NH2+][C@H](C)CC(=O)Nc1ccc(OC)cc1OC)c1ccc(OC)cc1 ZINC000122893915 823430317 /nfs/dbraw/zinc/43/03/17/823430317.db2.gz RCGZCROETOMKLB-DNVCBOLYSA-N 1 0 386.492 4.170 20 0 GIADRO CC(C)[C@H]([NH2+][C@H]1CCCc2cc(S(N)(=O)=O)ccc21)c1ccccc1Cl ZINC000572991064 823430686 /nfs/dbraw/zinc/43/06/86/823430686.db2.gz SGWZSNYXUMTPJG-PMACEKPBSA-N 1 0 392.952 4.352 20 0 GIADRO Cc1nc(-c2ccc(C)cc2C)sc1C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000572999324 823431825 /nfs/dbraw/zinc/43/18/25/823431825.db2.gz RMYHJOFQCCTXJI-ZWKOTPCHSA-N 1 0 383.561 4.197 20 0 GIADRO Cc1ccc(-c2n[nH]cc2C[NH2+]CC2=CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000189500854 823432197 /nfs/dbraw/zinc/43/21/97/823432197.db2.gz UUOYTECCFUJTCZ-UHFFFAOYSA-N 1 0 382.508 4.042 20 0 GIADRO O=C(Nc1cccnc1-c1ccc(Cl)s1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000189505634 823433018 /nfs/dbraw/zinc/43/30/18/823433018.db2.gz UUGWZRXNXKVQBU-CQSZACIVSA-N 1 0 390.940 4.413 20 0 GIADRO CCS[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc(-c2ccc(Br)o2)o1 ZINC000189505751 823433132 /nfs/dbraw/zinc/43/31/32/823433132.db2.gz IBDNWABEEMACJA-ZYHUDNBSSA-N 1 0 386.315 4.246 20 0 GIADRO C[NH+](C)Cc1ccccc1NC(=O)Cn1c2ccccc2nc1SC(F)F ZINC000024643693 819859011 /nfs/dbraw/zinc/85/90/11/819859011.db2.gz RYNURXZUNKFKQQ-UHFFFAOYSA-N 1 0 390.459 4.051 20 0 GIADRO Cc1ccc(C(=O)CCC(=O)NCc2ccccc2C[NH+]2CCCCC2)s1 ZINC000024650675 819859214 /nfs/dbraw/zinc/85/92/14/819859214.db2.gz YCFZMFBNUNRSSE-UHFFFAOYSA-N 1 0 384.545 4.322 20 0 GIADRO O=C(CCc1ccoc1)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000177324162 823433794 /nfs/dbraw/zinc/43/37/94/823433794.db2.gz UBDRNJSKKKLWJB-LJQANCHMSA-N 1 0 394.437 4.125 20 0 GIADRO O=C(CCc1ccoc1)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000177324144 823433826 /nfs/dbraw/zinc/43/38/26/823433826.db2.gz UBDRNJSKKKLWJB-IBGZPJMESA-N 1 0 394.437 4.125 20 0 GIADRO CCOc1c(Cl)cc(C(=O)Nc2cc(C[NH+](C)C)ccc2C)cc1OC ZINC000177341452 823440232 /nfs/dbraw/zinc/44/02/32/823440232.db2.gz BBEPBARHSLZKAV-UHFFFAOYSA-N 1 0 376.884 4.370 20 0 GIADRO Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)Nc3ccccc3C[NH+](C)C)c12 ZINC000024808857 819879940 /nfs/dbraw/zinc/87/99/40/819879940.db2.gz QESKPTHFNMQTPC-UHFFFAOYSA-N 1 0 399.498 4.258 20 0 GIADRO Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)Nc2ccccc2C[NH+](C)C)cc1 ZINC000024810978 819880195 /nfs/dbraw/zinc/88/01/95/819880195.db2.gz CCCVGAAHBCUBQY-UHFFFAOYSA-N 1 0 395.532 4.007 20 0 GIADRO Cc1ccc(-n2cc(C[N@@H+]3C[C@@H]4CC[C@H](O)[C@@H]4C3)c(-c3ccc(F)cc3)n2)cc1 ZINC000573030147 823436958 /nfs/dbraw/zinc/43/69/58/823436958.db2.gz GAGUVLSZDAKZRZ-NMNUPHIUSA-N 1 0 391.490 4.190 20 0 GIADRO CN(CC1([NH+](C)C)CCC1)C(=O)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000189525106 823437428 /nfs/dbraw/zinc/43/74/28/823437428.db2.gz AJPUDOKGESPGNY-SJORKVTESA-N 1 0 383.561 4.289 20 0 GIADRO CC1CCN(C(=O)C[NH+]2CCC(c3nc4cc(Cl)ccc4s3)CC2)CC1 ZINC000025033650 819911790 /nfs/dbraw/zinc/91/17/90/819911790.db2.gz RFUYFOROVLVVTN-UHFFFAOYSA-N 1 0 391.968 4.388 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)Nc2cccnc2-c2ccc(Cl)s2)CC[N@@H+]1C ZINC000189527712 823437847 /nfs/dbraw/zinc/43/78/47/823437847.db2.gz IAGCXUZIYIETFM-CHWSQXEVSA-N 1 0 378.929 4.410 20 0 GIADRO Clc1cc2c(cc1C[NH2+][C@@H](c1ccc3c(c1)OCCO3)C1CC1)OCCO2 ZINC000573040470 823438336 /nfs/dbraw/zinc/43/83/36/823438336.db2.gz HGKYHHLAYHXAMV-OAQYLSRUSA-N 1 0 387.863 4.123 20 0 GIADRO COc1ccc(Br)c(C(=O)Nc2cc(C[NH+](C)C)ccc2C)c1 ZINC000177342336 823440594 /nfs/dbraw/zinc/44/05/94/823440594.db2.gz QCSBRXXXICONSU-UHFFFAOYSA-N 1 0 377.282 4.080 20 0 GIADRO Cc1ccsc1-c1nnc(N2CCC[C@H]([NH+]3CCCC3)CC2)n1CC(C)C ZINC000460572603 823439182 /nfs/dbraw/zinc/43/91/82/823439182.db2.gz JTKCTHYTTIAYAK-SFHVURJKSA-N 1 0 387.597 4.426 20 0 GIADRO CC[C@@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(Cl)s1 ZINC000177339191 823439462 /nfs/dbraw/zinc/43/94/62/823439462.db2.gz ZCNXQHJYUPHHGB-IUODEOHRSA-N 1 0 386.970 4.454 20 0 GIADRO CNC(=O)c1ccc(C[N@H+](Cc2ccc(OC(F)(F)F)cc2)C2CC2)cc1 ZINC000025198036 819942957 /nfs/dbraw/zinc/94/29/57/819942957.db2.gz SQSHDXOPDJOQTG-UHFFFAOYSA-N 1 0 378.394 4.109 20 0 GIADRO CSc1ccccc1[C@@H](C)NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000410264656 823440074 /nfs/dbraw/zinc/44/00/74/823440074.db2.gz FURAFBNVRAEAJI-LJQANCHMSA-N 1 0 397.588 4.188 20 0 GIADRO CCOc1cc(C[NH2+][C@H]2CCCc3ccccc32)ccc1O[C@@H](C)C(=O)N(C)C ZINC000025259709 819952187 /nfs/dbraw/zinc/95/21/87/819952187.db2.gz WIRPGKFPLRWYGK-UWJYYQICSA-N 1 0 396.531 4.108 20 0 GIADRO C/C=C/c1ccc(OC[C@@H](O)C[N@H+](Cc2ccccc2F)C2CC2)c(OC)c1 ZINC000025300005 819957558 /nfs/dbraw/zinc/95/75/58/819957558.db2.gz DSCRWWRDZHGYRP-QLPSFHHPSA-N 1 0 385.479 4.272 20 0 GIADRO CCN(CCC[NH+]1CCCC1)C(=O)Nc1ccc(Sc2ncccn2)cc1C ZINC000189546988 823441318 /nfs/dbraw/zinc/44/13/18/823441318.db2.gz RIDFVIDFCSFTTI-UHFFFAOYSA-N 1 0 399.564 4.276 20 0 GIADRO Cc1ccc(-c2nc(CC(=O)NC[C@H](c3ccsc3)[NH+](C)C)cs2)cc1 ZINC000025330831 819963976 /nfs/dbraw/zinc/96/39/76/819963976.db2.gz CMCXRHJWLFXIDS-GOSISDBHSA-N 1 0 385.558 4.142 20 0 GIADRO FC(F)(F)c1cnc(NCC[NH2+]Cc2scnc2C2CC2)c(Cl)c1 ZINC000573058202 823441848 /nfs/dbraw/zinc/44/18/48/823441848.db2.gz XWWPOZQKMQASTJ-UHFFFAOYSA-N 1 0 376.835 4.289 20 0 GIADRO FC1(F)CCCC[C@@H]1C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 ZINC000573059746 823442214 /nfs/dbraw/zinc/44/22/14/823442214.db2.gz ZNPIEGVZWRDTGA-MBOZVWFJSA-N 1 0 388.462 4.311 20 0 GIADRO Cc1cccn2c(=O)cc(C[N@H+]3Cc4ccccc4[C@@H](c4ccccc4)C3)nc12 ZINC000025402328 819976334 /nfs/dbraw/zinc/97/63/34/819976334.db2.gz JLSFRNLGXOIXQG-HSZRJFAPSA-N 1 0 381.479 4.151 20 0 GIADRO Cc1cc(N2CCCC2)ccc1NC(=O)C[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC000025441203 819980751 /nfs/dbraw/zinc/98/07/51/819980751.db2.gz PFRRWCMNLBHOPC-NRFANRHFSA-N 1 0 377.532 4.241 20 0 GIADRO COc1cc(OC)c(NC(=O)C[N@@H+]2CCC[C@H]2Cc2ccccc2)cc1Cl ZINC000025441661 819980823 /nfs/dbraw/zinc/98/08/23/819980823.db2.gz DAVVWEJRZPNGQS-INIZCTEOSA-N 1 0 388.895 4.003 20 0 GIADRO C[NH+](C)C1(CNC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)CCCCCC1 ZINC000025443666 819981584 /nfs/dbraw/zinc/98/15/84/819981584.db2.gz CJXDMVQZUBFPPJ-UHFFFAOYSA-N 1 0 389.540 4.418 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCCCC1)c1occc1Br ZINC000177357988 823444152 /nfs/dbraw/zinc/44/41/52/823444152.db2.gz QYCYNOAKICZWQF-UHFFFAOYSA-N 1 0 391.309 4.348 20 0 GIADRO Cc1ccc2c(CC(=O)NC[C@@H](C)[N@@H+]3CCc4ccccc4C3)coc2c1C ZINC000025630322 820008330 /nfs/dbraw/zinc/00/83/30/820008330.db2.gz FKZWMHRYVFIINL-QGZVFWFLSA-N 1 0 376.500 4.155 20 0 GIADRO C/C=C/c1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccc(F)cc2F)c(OC)c1 ZINC000025663968 820012207 /nfs/dbraw/zinc/01/22/07/820012207.db2.gz GRHPQNQYQAPXGN-ROHVMALMSA-N 1 0 377.431 4.097 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1cc(F)ccc1F ZINC000177363814 823445473 /nfs/dbraw/zinc/44/54/73/823445473.db2.gz WKEGCTLCGUNTRR-DJJJIMSYSA-N 1 0 382.476 4.017 20 0 GIADRO CC(C)(C)c1cnc(CCC(=O)N2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)o1 ZINC000573083511 823445623 /nfs/dbraw/zinc/44/56/23/823445623.db2.gz VSJIFOQBZLZBSC-WOJBJXKFSA-N 1 0 397.563 4.103 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)COc1ccccc1-c1ccccc1)c1ccsc1 ZINC000025810789 820027357 /nfs/dbraw/zinc/02/73/57/820027357.db2.gz HTNTWBKCWSMONU-FQEVSTJZSA-N 1 0 380.513 4.213 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1csc(-c2ccc(F)cc2)n1)c1ccsc1 ZINC000025813366 820027902 /nfs/dbraw/zinc/02/79/02/820027902.db2.gz LRYFDMFVUGRDDB-MRXNPFEDSA-N 1 0 375.494 4.043 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1ccc(COc2ccc(F)cc2)o1)c1ccsc1 ZINC000025814998 820027991 /nfs/dbraw/zinc/02/79/91/820027991.db2.gz ORLDJJAXMKGWIF-SFHVURJKSA-N 1 0 388.464 4.092 20 0 GIADRO COc1cccc([C@@H]2[C@@H](NC(=O)Nc3ccc4[nH]ccc4c3)CC[N@@H+]2C2CC2)c1 ZINC000189544459 823440895 /nfs/dbraw/zinc/44/08/95/823440895.db2.gz DUNRHGMZFLTSPD-FCHUYYIVSA-N 1 0 390.487 4.276 20 0 GIADRO Cc1cc(C(F)(F)F)ccc1C(=O)N(C)CCC[N@H+](C)Cc1ccncc1 ZINC000573098367 823446955 /nfs/dbraw/zinc/44/69/55/823446955.db2.gz WLZIOGABKJJBMC-UHFFFAOYSA-N 1 0 379.426 4.003 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(F)cc1Cl)c1cccc(OC)c1 ZINC000025859985 820031925 /nfs/dbraw/zinc/03/19/25/820031925.db2.gz PKSSQHIWDUMROW-LJQANCHMSA-N 1 0 378.875 4.301 20 0 GIADRO C[C@H]1CCN(C(=O)CSc2cccc(C(F)(F)F)c2)C[C@@H]1n1ccnc1 ZINC000123048584 823453130 /nfs/dbraw/zinc/45/31/30/823453130.db2.gz CVBZEOWAOOMHDQ-BBRMVZONSA-N 1 0 383.439 4.104 20 0 GIADRO Cc1cc(C(=O)NC[C@H](C(C)C)[N@@H+]2CCc3ccccc3C2)c(C)n1C1CC1 ZINC000025918433 820039238 /nfs/dbraw/zinc/03/92/38/820039238.db2.gz WDQHAWOJRGPSJW-HSZRJFAPSA-N 1 0 379.548 4.253 20 0 GIADRO COCCc1ccccc1NC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000189574490 823447978 /nfs/dbraw/zinc/44/79/78/823447978.db2.gz CXYGGAXNXWBVKQ-UHFFFAOYSA-N 1 0 395.547 4.429 20 0 GIADRO C[C@@H]1CCN(C(=O)CSc2cccc(C(F)(F)F)c2)C[C@H]1n1ccnc1 ZINC000123048818 823453243 /nfs/dbraw/zinc/45/32/43/823453243.db2.gz CVBZEOWAOOMHDQ-CZUORRHYSA-N 1 0 383.439 4.104 20 0 GIADRO COc1ccc([C@@H](CNC(=O)c2sccc2-n2cccc2)[NH+]2CCCC2)cc1 ZINC000026023286 820050405 /nfs/dbraw/zinc/05/04/05/820050405.db2.gz DELHBHQPLJTEKC-HXUWFJFHSA-N 1 0 395.528 4.114 20 0 GIADRO CN(CC(=O)Nc1cccc(Cl)c1)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000026034224 820051576 /nfs/dbraw/zinc/05/15/76/820051576.db2.gz ISQAWYDDDMJSCB-UHFFFAOYSA-N 1 0 399.922 4.037 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCCc2cc(OC(F)F)ccc21)c1ccc(S(C)(=O)=O)cc1 ZINC000123017846 823448931 /nfs/dbraw/zinc/44/89/31/823448931.db2.gz GKSSLEIRJJARJG-BFUOFWGJSA-N 1 0 395.471 4.420 20 0 GIADRO Cc1nc(CN2C[C@@H](F)C[C@H]2C[NH2+][C@H](C)CCc2c(F)cccc2F)cs1 ZINC000573109137 823449107 /nfs/dbraw/zinc/44/91/07/823449107.db2.gz ALFBEUXTFGMCGF-KMFMINBZSA-N 1 0 397.510 4.253 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCc2cc3ccccc3[nH]2)C1 ZINC000573108503 823449149 /nfs/dbraw/zinc/44/91/49/823449149.db2.gz DATADSFDDPXERR-SFHVURJKSA-N 1 0 390.531 4.399 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1ccc(NC(=O)C(C)C)cc1)CC3 ZINC000123049212 823453323 /nfs/dbraw/zinc/45/33/23/823453323.db2.gz FAWBJHISIYFLFT-SFHVURJKSA-N 1 0 391.515 4.418 20 0 GIADRO FC(F)(F)c1ccc(-n2cc(C[N@@H+]3CC4(CCOCC4)[C@@H]3C3CC3)cn2)cc1 ZINC000573116252 823449593 /nfs/dbraw/zinc/44/95/93/823449593.db2.gz ZLQPRXOBGFRRSR-IBGZPJMESA-N 1 0 391.437 4.282 20 0 GIADRO CCCN(CC[NH+]1CCCC1)C(=O)c1sc(Cc2ccc(F)cc2)nc1C ZINC000573118850 823449815 /nfs/dbraw/zinc/44/98/15/823449815.db2.gz ZJTWDRVFURUMIG-UHFFFAOYSA-N 1 0 389.540 4.129 20 0 GIADRO CC1(C)CC(NC(=O)N[C@H]2CCSc3ccc(Cl)cc32)CC(C)(C)[NH2+]1 ZINC000026179335 820067156 /nfs/dbraw/zinc/06/71/56/820067156.db2.gz OABGWEIYNRWCKV-HNNXBMFYSA-N 1 0 381.973 4.485 20 0 GIADRO COCCc1ccccc1NC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000189578752 823449982 /nfs/dbraw/zinc/44/99/82/823449982.db2.gz WRFRODIMHZJQLT-LJQANCHMSA-N 1 0 387.568 4.384 20 0 GIADRO CC(C)C(=O)NCC[NH2+]Cc1ccc(-c2ccc(Br)cc2)s1 ZINC000026219291 820070846 /nfs/dbraw/zinc/07/08/46/820070846.db2.gz FLXHGZHIVTUOOS-UHFFFAOYSA-N 1 0 381.339 4.039 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccccc1C(F)(F)F)Cc1ccccc1 ZINC000058794762 823453493 /nfs/dbraw/zinc/45/34/93/823453493.db2.gz XWMUVRZWRYRXIZ-QGZVFWFLSA-N 1 0 378.438 4.388 20 0 GIADRO c1cc(-c2nc3ccccc3s2)oc1C[NH2+]C[C@H]1COc2ccccc2O1 ZINC000026305142 820080324 /nfs/dbraw/zinc/08/03/24/820080324.db2.gz QGHAYCXJZZCVBS-HNNXBMFYSA-N 1 0 378.453 4.486 20 0 GIADRO CCc1ccc(-c2nn(-c3ccccc3C)cc2C[NH2+]CCn2ccnc2)cc1 ZINC000026309304 820081024 /nfs/dbraw/zinc/08/10/24/820081024.db2.gz MZLSOIVEAGWWER-UHFFFAOYSA-N 1 0 385.515 4.396 20 0 GIADRO COc1ccc(OC)c(C[NH2+]Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)c1 ZINC000189581882 823451548 /nfs/dbraw/zinc/45/15/48/823451548.db2.gz ISVBIWZBSJWGBW-UHFFFAOYSA-N 1 0 398.503 4.244 20 0 GIADRO C[N@@H+]1CC[C@H](NC(=O)Nc2cc(Br)ccc2F)[C@@H]1c1ccccc1 ZINC000189582457 823451571 /nfs/dbraw/zinc/45/15/71/823451571.db2.gz RJZPYPCJBRMQHK-RDJZCZTQSA-N 1 0 392.272 4.155 20 0 GIADRO COc1ccc(CN(C)C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000026381644 820092192 /nfs/dbraw/zinc/09/21/92/820092192.db2.gz HUIOTVKXTQRVEC-UHFFFAOYSA-N 1 0 395.547 4.269 20 0 GIADRO COCc1ccccc1CNC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000026380893 820092306 /nfs/dbraw/zinc/09/23/06/820092306.db2.gz PWSCXWDKLCVPKV-UHFFFAOYSA-N 1 0 395.547 4.064 20 0 GIADRO C[C@@H](NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C)c1ccc(Br)cc1 ZINC000026392410 820093353 /nfs/dbraw/zinc/09/33/53/820093353.db2.gz PZAZBAXJGSHNMR-WBMJQRKESA-N 1 0 396.354 4.174 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)C[N@@H+](C)[C@H]2CCC[C@H](C)C2)c(C(F)(F)F)c1 ZINC000026478642 820102851 /nfs/dbraw/zinc/10/28/51/820102851.db2.gz BACUUZYZGFBGIB-WFASDCNBSA-N 1 0 385.430 4.113 20 0 GIADRO O=C(C[N@@H+]1CCC[C@@H]1c1cccs1)NCc1ccc(OC(F)(F)F)cc1 ZINC000026484533 820103707 /nfs/dbraw/zinc/10/37/07/820103707.db2.gz DKXRSSXEHAYCKH-OAHLLOKOSA-N 1 0 384.423 4.100 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccccc1CCOC)c1ccsc1 ZINC000189593922 823454232 /nfs/dbraw/zinc/45/42/32/823454232.db2.gz KBJXXALJNJJGMG-IBGZPJMESA-N 1 0 375.538 4.142 20 0 GIADRO S=c1oc(-c2ccccc2Cl)nn1CN1CC[NH+](C2CCCC2)CC1 ZINC000026627613 820124947 /nfs/dbraw/zinc/12/49/47/820124947.db2.gz ZOCIIYLIXFJHEY-UHFFFAOYSA-N 1 0 378.929 4.044 20 0 GIADRO O=C(NC1CC[NH+](Cc2c(O)ccc3ccccc32)CC1)c1ccc(F)cc1 ZINC000026649299 820128202 /nfs/dbraw/zinc/12/82/02/820128202.db2.gz DFJNJQJLJXIRSP-UHFFFAOYSA-N 1 0 378.447 4.079 20 0 GIADRO CC(C)Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000460609107 823455141 /nfs/dbraw/zinc/45/51/41/823455141.db2.gz NPDUQHPXHVUQJZ-GOSISDBHSA-N 1 0 385.531 4.195 20 0 GIADRO COc1ccccc1-c1nnc(N2CCC[C@H]([NH+]3CCCC3)CC2)n1CC(C)C ZINC000460624558 823459417 /nfs/dbraw/zinc/45/94/17/823459417.db2.gz BRGYUZZSAJDKNZ-IBGZPJMESA-N 1 0 397.567 4.064 20 0 GIADRO O[C@@]1(C[NH2+]Cc2ccc(OCc3ccncc3)cc2)CCC[C@@H](C(F)(F)F)C1 ZINC000189605427 823456839 /nfs/dbraw/zinc/45/68/39/823456839.db2.gz RBUHKFLJELUCAK-QUCCMNQESA-N 1 0 394.437 4.234 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)Cc3coc4cc(C)ccc34)c(C)c2)CC1 ZINC000026909265 820162536 /nfs/dbraw/zinc/16/25/36/820162536.db2.gz LQSMCUOZZODQHW-UHFFFAOYSA-N 1 0 391.515 4.373 20 0 GIADRO CC(C)[N@H+](CC(=O)N(Cc1ccccc1)c1nc2c(s1)CCCC2)C1CC1 ZINC000026941498 820166364 /nfs/dbraw/zinc/16/63/64/820166364.db2.gz TWRZACGSMUEHRA-UHFFFAOYSA-N 1 0 383.561 4.428 20 0 GIADRO COCCOc1ccc([C@H](C)[NH2+]C[C@H]2CC[C@H](c3ccccc3)O2)cc1OC ZINC000573162950 823458025 /nfs/dbraw/zinc/45/80/25/823458025.db2.gz YCFHERYRNWIPEG-IOMROCGXSA-N 1 0 385.504 4.291 20 0 GIADRO O[C@@]1(C[NH2+]Cc2ccc(F)c(Br)c2)CCC[C@H](C(F)(F)F)C1 ZINC000189612747 823458281 /nfs/dbraw/zinc/45/82/81/823458281.db2.gz OLCPKFHRKMZPCU-FZMZJTMJSA-N 1 0 384.211 4.161 20 0 GIADRO O[C@]1(C[NH2+]Cc2ccc(F)c(Br)c2)CCC[C@@H](C(F)(F)F)C1 ZINC000189612800 823458338 /nfs/dbraw/zinc/45/83/38/823458338.db2.gz OLCPKFHRKMZPCU-BXUZGUMPSA-N 1 0 384.211 4.161 20 0 GIADRO O[C@]1(C[NH2+]Cc2csc(-c3cccs3)n2)CCC[C@H](C(F)(F)F)C1 ZINC000189618705 823459725 /nfs/dbraw/zinc/45/97/25/823459725.db2.gz OQTMNIUQVWFWFT-XHDPSFHLSA-N 1 0 376.469 4.445 20 0 GIADRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)N1CCC[C@H]1c1ccsc1 ZINC000410311977 823460100 /nfs/dbraw/zinc/46/01/00/823460100.db2.gz LDXGXEGGPNFQFI-NRFANRHFSA-N 1 0 383.561 4.302 20 0 GIADRO O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)N1CC[NH+](C2CCCC2)CC1 ZINC000027118641 820195932 /nfs/dbraw/zinc/19/59/32/820195932.db2.gz HFQKXYHTEMOBRS-QFIPXVFZSA-N 1 0 381.495 4.066 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1cn(-c2ccc(Cl)cc2)nn1 ZINC000027142976 820200759 /nfs/dbraw/zinc/20/07/59/820200759.db2.gz KQECGLCUYHNQJI-UHFFFAOYSA-N 1 0 395.894 4.159 20 0 GIADRO Cc1c(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cnn1-c1ccccc1 ZINC000027147375 820201220 /nfs/dbraw/zinc/20/12/20/820201220.db2.gz XHLZSLBPIWCMBM-UHFFFAOYSA-N 1 0 388.515 4.097 20 0 GIADRO COc1cccc(C(=O)C(C(=S)Nc2ccc(F)cc2)[n+]2cccc(C)c2)c1 ZINC000027194029 820208517 /nfs/dbraw/zinc/20/85/17/820208517.db2.gz RQIAMNBUUBOAGO-UHFFFAOYSA-O 1 0 395.479 4.481 20 0 GIADRO CC(C)c1noc2nc(C3CC3)cc(C(=O)NC3CC[NH+](C4CCCC4)CC3)c21 ZINC000177436279 823461610 /nfs/dbraw/zinc/46/16/10/823461610.db2.gz NHWORIAYFRTZSS-UHFFFAOYSA-N 1 0 396.535 4.360 20 0 GIADRO COc1cccc([C@@H](CNC(=O)Nc2ccc(N3CCCCC3)cc2)[NH+](C)C)c1 ZINC000058844545 823461683 /nfs/dbraw/zinc/46/16/83/823461683.db2.gz ISJKJQNESDOCNQ-JOCHJYFZSA-N 1 0 396.535 4.110 20 0 GIADRO COc1ccc(CC[NH2+]Cc2ccccc2OCc2ccncc2)cc1OC ZINC000027217130 820210828 /nfs/dbraw/zinc/21/08/28/820210828.db2.gz LJMKFQQFDRVMKK-UHFFFAOYSA-N 1 0 378.472 4.010 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)Nc1ccc(N2CCCCC2)cc1 ZINC000058844559 823461813 /nfs/dbraw/zinc/46/18/13/823461813.db2.gz CSBNZGCHUUWPLA-FQEVSTJZSA-N 1 0 382.508 4.229 20 0 GIADRO CC[C@H]([NH2+][C@H]1CCc2ccc(F)cc21)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000573179255 823461814 /nfs/dbraw/zinc/46/18/14/823461814.db2.gz YLUPEIJEBFCORB-ROUUACIJSA-N 1 0 396.915 4.115 20 0 GIADRO CCc1ccc(CN(C)C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000410319811 823462043 /nfs/dbraw/zinc/46/20/43/823462043.db2.gz WRBUHSZPIHNNKN-UHFFFAOYSA-N 1 0 379.548 4.363 20 0 GIADRO COc1cccc([C@@H](CNC(=O)Nc2ccccc2SC(F)F)[NH+](C)C)c1 ZINC000058878365 823465109 /nfs/dbraw/zinc/46/51/09/823465109.db2.gz BAVKRGUSPOPCTG-MRXNPFEDSA-N 1 0 395.475 4.434 20 0 GIADRO CCCCNC(=S)C(C(=O)c1ccc(Cl)cc1)[n+]1ccc(N(C)C)cc1 ZINC000027326623 820224512 /nfs/dbraw/zinc/22/45/12/820224512.db2.gz VJUCKODNCQCOEU-UHFFFAOYSA-O 1 0 390.960 4.022 20 0 GIADRO CCCCNC(=S)C(C(=O)c1ccccc1Br)[n+]1ccccc1 ZINC000027326706 820224645 /nfs/dbraw/zinc/22/46/45/820224645.db2.gz RJPHNRPZPAMQMF-UHFFFAOYSA-O 1 0 392.342 4.065 20 0 GIADRO COc1cccc([C@@H](CNC(=O)c2oc3ccccc3c2C)[NH+]2CCCC2)c1 ZINC000027340262 820227285 /nfs/dbraw/zinc/22/72/85/820227285.db2.gz UNUHPJGYSZHEPA-HXUWFJFHSA-N 1 0 378.472 4.317 20 0 GIADRO O=C(CCc1nc2ccccc2o1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000027344367 820228615 /nfs/dbraw/zinc/22/86/15/820228615.db2.gz WSVMPXPSVUFAFX-IBGZPJMESA-N 1 0 397.906 4.367 20 0 GIADRO CCCOc1cc(C[NH2+]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)ccc1OC ZINC000189632043 823462916 /nfs/dbraw/zinc/46/29/16/823462916.db2.gz YXQZRTSWNYMMJD-YJBOKZPZSA-N 1 0 375.431 4.057 20 0 GIADRO C[N@H+](CCNC(=O)c1c2c(nc3ccccc31)/C(=C/c1ccco1)CC2)C1CC1 ZINC000058858332 823462990 /nfs/dbraw/zinc/46/29/90/823462990.db2.gz WTOZWJAHGIJBTM-FOCLMDBBSA-N 1 0 387.483 4.139 20 0 GIADRO Cc1ccc(-c2cc(C(=O)N3CCC[N@H+](Cc4ccccc4C)CC3)[nH]n2)cc1 ZINC000027389471 820237812 /nfs/dbraw/zinc/23/78/12/820237812.db2.gz NXXUVNZPOTYJIE-UHFFFAOYSA-N 1 0 388.515 4.042 20 0 GIADRO Cn1cc(C[NH2+]CCc2cccc(Cl)c2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000027402695 820240538 /nfs/dbraw/zinc/24/05/38/820240538.db2.gz HGDCZOSBVSAMSP-UHFFFAOYSA-N 1 0 397.906 4.234 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000027412894 820241567 /nfs/dbraw/zinc/24/15/67/820241567.db2.gz KDINQIXKLRIGHT-UHFFFAOYSA-N 1 0 375.513 4.252 20 0 GIADRO O=C(NCc1ccccc1Br)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177446610 823464113 /nfs/dbraw/zinc/46/41/13/823464113.db2.gz BNPRHIMFDVOWIQ-UHFFFAOYSA-N 1 0 394.357 4.045 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)CCSc2ccnc3cc(Cl)ccc32)CC[N@@H+]1C ZINC000177447695 823464122 /nfs/dbraw/zinc/46/41/22/823464122.db2.gz PBBOMRYMGBGEOO-GDBMZVCRSA-N 1 0 391.968 4.312 20 0 GIADRO CC(C)c1c(C(=O)NC2CC[NH+](C3CCCC3)CC2)cnn1-c1ccc(F)cc1 ZINC000177448739 823464605 /nfs/dbraw/zinc/46/46/05/823464605.db2.gz JZTRUKVGQFUXLB-UHFFFAOYSA-N 1 0 398.526 4.272 20 0 GIADRO CCCCc1oc2ccccc2c1C[N@H+](C)Cc1nn2c(nc(C)cc2=O)s1 ZINC000027542752 820258462 /nfs/dbraw/zinc/25/84/62/820258462.db2.gz VWVPONIUUBFOBX-UHFFFAOYSA-N 1 0 396.516 4.180 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)CCCOc1ccc(C)cc1)[NH+]1CCCC1 ZINC000027570712 820260583 /nfs/dbraw/zinc/26/05/83/820260583.db2.gz PZOMAVCKQBUWLZ-JOCHJYFZSA-N 1 0 396.531 4.116 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)[C@H](C)Sc1ccc(C)cc1)[NH+]1CCCC1 ZINC000027571249 820260608 /nfs/dbraw/zinc/26/06/08/820260608.db2.gz MPTZTJDKYMFFHT-GHTZIAJQSA-N 1 0 398.572 4.438 20 0 GIADRO CC[C@H](c1ccc(Cl)cc1)[N@@H+]1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 ZINC000177474139 823471125 /nfs/dbraw/zinc/47/11/25/823471125.db2.gz VPARLPFWFMAKBS-CRAIPNDOSA-N 1 0 392.931 4.089 20 0 GIADRO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000573207438 823465682 /nfs/dbraw/zinc/46/56/82/823465682.db2.gz WDRVFTWIGSDEEJ-OXJNMPFZSA-N 1 0 375.463 4.158 20 0 GIADRO CCc1ccc([C@H](CNC(=O)c2cc(-c3csc(C)n3)c[nH]2)[NH+](C)C)cc1 ZINC000027597492 820264906 /nfs/dbraw/zinc/26/49/06/820264906.db2.gz QHKSJIRMSMDTSQ-FQEVSTJZSA-N 1 0 382.533 4.042 20 0 GIADRO CCc1ccc([C@@H](CNC(=O)CCc2c(C)nn(CC(C)C)c2C)[NH+](C)C)cc1 ZINC000027597471 820265106 /nfs/dbraw/zinc/26/51/06/820265106.db2.gz AAKMZWSEPHPVAB-HSZRJFAPSA-N 1 0 398.595 4.070 20 0 GIADRO Cc1nc(CSc2ccccc2C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cs1 ZINC000177452490 823465820 /nfs/dbraw/zinc/46/58/20/823465820.db2.gz RWDPPPAIJPGCFE-RDJZCZTQSA-N 1 0 389.590 4.346 20 0 GIADRO [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCCN1C(=O)c1cnc2ccsc2c1 ZINC000573210535 823465903 /nfs/dbraw/zinc/46/59/03/823465903.db2.gz LVXBVQYADSCNGO-YLJYHZDGSA-N 1 0 379.529 4.109 20 0 GIADRO O=C(COc1cccc(C(F)(F)F)c1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000058881480 823466043 /nfs/dbraw/zinc/46/60/43/823466043.db2.gz HHDRNRNITZRTIO-UHFFFAOYSA-N 1 0 398.469 4.199 20 0 GIADRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)[C@H](c1ccccc1)C1CC1)c1ccccc1O2 ZINC000123124789 823466175 /nfs/dbraw/zinc/46/61/75/823466175.db2.gz HSEZPHOXVHAGJV-FYYLOGMGSA-N 1 0 390.527 4.285 20 0 GIADRO COCc1c(C(=O)NC[C@H](c2cccs2)[NH+](C)C)sc2cccc(F)c21 ZINC000027677408 820274307 /nfs/dbraw/zinc/27/43/07/820274307.db2.gz DPEGCUGJSAOLNN-CQSZACIVSA-N 1 0 392.521 4.281 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCc3sccc3C2)cc1 ZINC000410337105 823466552 /nfs/dbraw/zinc/46/65/52/823466552.db2.gz LVUZQRIEGGMPKG-KRWDZBQOSA-N 1 0 383.561 4.390 20 0 GIADRO COc1ccc(C2(C(=O)N3CCC[C@@H]([N@H+]4[C@H](C)CC[C@@H]4C)C3)CCCC2)cc1 ZINC000058882815 823466575 /nfs/dbraw/zinc/46/65/75/823466575.db2.gz UTTZJLGPAIBEAU-SVFBPWRDSA-N 1 0 384.564 4.371 20 0 GIADRO COC1(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2C)CCOCC1 ZINC000123128626 823466967 /nfs/dbraw/zinc/46/69/67/823466967.db2.gz OBUCXIAJKCVPHF-UHFFFAOYSA-N 1 0 391.515 4.133 20 0 GIADRO Cc1cc(C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc(C)c1OCc1cccnc1 ZINC000058891444 823467216 /nfs/dbraw/zinc/46/72/16/823467216.db2.gz JSMURFNFSYRWCF-PXNSSMCTSA-N 1 0 395.547 4.128 20 0 GIADRO COc1cc(NC(=O)C[N@H+](C)[C@@H]2CCCc3ccccc32)c(OC)cc1Cl ZINC000027906543 820295391 /nfs/dbraw/zinc/29/53/91/820295391.db2.gz OWGYHLXJGBANRA-GOSISDBHSA-N 1 0 388.895 4.305 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCc3ccccc3C2)cc1 ZINC000410343374 823467977 /nfs/dbraw/zinc/46/79/77/823467977.db2.gz CYJDCMMISFOASX-IBGZPJMESA-N 1 0 377.532 4.329 20 0 GIADRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)c1cc2cc(Cl)ccc2[nH]1 ZINC000027935485 820298661 /nfs/dbraw/zinc/29/86/61/820298661.db2.gz MVNVWCJZWMVGBW-UHFFFAOYSA-N 1 0 381.907 4.258 20 0 GIADRO Cc1cc(C)c(NC(=O)[C@@H](C)N2CC[NH+](CCc3ccccc3)CC2)c(Cl)c1 ZINC000027958834 820300677 /nfs/dbraw/zinc/30/06/77/820300677.db2.gz XGYWPAKRNJQVHH-LJQANCHMSA-N 1 0 399.966 4.144 20 0 GIADRO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2cccc(-n3cccc3)c2)CC1 ZINC000028006856 820304171 /nfs/dbraw/zinc/30/41/71/820304171.db2.gz OVXGVJHRAMQXFC-UHFFFAOYSA-N 1 0 394.906 4.135 20 0 GIADRO CC1CC[NH+](Cc2ccccc2CNC(=O)N2CCC[C@@H]2c2cccnc2)CC1 ZINC000410345461 823468821 /nfs/dbraw/zinc/46/88/21/823468821.db2.gz PSQPGZQFLQCARJ-HSZRJFAPSA-N 1 0 392.547 4.360 20 0 GIADRO COc1ccc([C@H](Cc2ccccc2)[NH2+][C@H]2CCN(c3ncccc3F)C2)cc1 ZINC000573254805 823471482 /nfs/dbraw/zinc/47/14/82/823471482.db2.gz YMXQFOFLUVGRDL-REWPJTCUSA-N 1 0 391.490 4.382 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N(Cc2ccccn2)C2CC2)cc1 ZINC000410347038 823469308 /nfs/dbraw/zinc/46/93/08/823469308.db2.gz YFWBUMQMVJHNIF-IBGZPJMESA-N 1 0 392.547 4.330 20 0 GIADRO C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@@H](C)c1nnc2n1CCCCC2 ZINC000573240218 823469524 /nfs/dbraw/zinc/46/95/24/823469524.db2.gz NCXCMOOVYMWZMN-OLZOCXBDSA-N 1 0 395.320 4.188 20 0 GIADRO CCCOc1c(Cl)cc(C(=O)N2CCC([NH+]3CCCC3)CC2)cc1OCC ZINC000058910220 823469587 /nfs/dbraw/zinc/46/95/87/823469587.db2.gz CBEWANOPDRVIAQ-UHFFFAOYSA-N 1 0 394.943 4.228 20 0 GIADRO CO[C@H](C)c1noc(CN2CCC[N@@H+]([C@@H](C)c3ccc4ccccc4c3)CC2)n1 ZINC000177468645 823469683 /nfs/dbraw/zinc/46/96/83/823469683.db2.gz WPYFBXOWLKCUPO-ZWKOTPCHSA-N 1 0 394.519 4.199 20 0 GIADRO O=C(N[C@H](C[NH+]1CCCCC1)c1ccccc1)c1ccccc1Br ZINC000028316677 820324095 /nfs/dbraw/zinc/32/40/95/820324095.db2.gz LTXBWVBWLXWXLM-LJQANCHMSA-N 1 0 387.321 4.406 20 0 GIADRO Cc1cccc2oc(CC[NH2+]Cc3cc(Br)cc4c3OCC4)nc21 ZINC000410349259 823470066 /nfs/dbraw/zinc/47/00/66/823470066.db2.gz AQQGZVZCXAVZKN-UHFFFAOYSA-N 1 0 387.277 4.166 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1ccc(Cl)cc1 ZINC000028348496 820327830 /nfs/dbraw/zinc/32/78/30/820327830.db2.gz KZUDDJZAJYZCAH-KBPBESRZSA-N 1 0 385.895 4.366 20 0 GIADRO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)c(C)c1 ZINC000028350765 820328354 /nfs/dbraw/zinc/32/83/54/820328354.db2.gz KOXBZQQATGZHLD-SJORKVTESA-N 1 0 379.504 4.330 20 0 GIADRO C[NH+](C)CCCC1CCN(CC(=O)Nc2ccccc2Cc2ccccc2)CC1 ZINC000123156884 823471633 /nfs/dbraw/zinc/47/16/33/823471633.db2.gz YHELWOUYKPHCOW-UHFFFAOYSA-N 1 0 393.575 4.270 20 0 GIADRO CCCN(Cc1ccc(C)cc1)C(=O)C[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000058918412 823470305 /nfs/dbraw/zinc/47/03/05/823470305.db2.gz QTHADQZWICZSNK-RUZDIDTESA-N 1 0 394.559 4.179 20 0 GIADRO Cc1ccc(CSCCNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000028391325 820331885 /nfs/dbraw/zinc/33/18/85/820331885.db2.gz QEWKXAFXTWZFMB-UHFFFAOYSA-N 1 0 397.588 4.323 20 0 GIADRO CCOc1ccc([C@@H](C)NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000028390385 820331948 /nfs/dbraw/zinc/33/19/48/820331948.db2.gz HYHATVYEIDOWGB-GOSISDBHSA-N 1 0 381.520 4.242 20 0 GIADRO O=C(c1ccccc1OCc1ccc(F)cc1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000058920138 823470749 /nfs/dbraw/zinc/47/07/49/823470749.db2.gz WKDZCGLWYQUAGJ-FQEVSTJZSA-N 1 0 382.479 4.105 20 0 GIADRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)N(C)C3CCCCCC3)cc2)C[C@H](C)O1 ZINC000410352137 823470985 /nfs/dbraw/zinc/47/09/85/823470985.db2.gz IENDOMQIDLVMLI-KDURUIRLSA-N 1 0 387.568 4.160 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCCc2ccc(F)c(F)c2)CC1 ZINC000189668036 823471025 /nfs/dbraw/zinc/47/10/25/823471025.db2.gz XVVXIWXCSKALEX-INIZCTEOSA-N 1 0 387.474 4.032 20 0 GIADRO CC(C)Cc1ccc(C(=O)C2CC[NH+](C[C@H](O)COc3ccccc3)CC2)cc1 ZINC000058934376 823472398 /nfs/dbraw/zinc/47/23/98/823472398.db2.gz QNGLUOGTERRWAI-QHCPKHFHSA-N 1 0 395.543 4.220 20 0 GIADRO CN(CC1([NH+](C)C)CCC1)C(=O)NCc1ccccc1COCc1ccccc1 ZINC000189675512 823472699 /nfs/dbraw/zinc/47/26/99/823472699.db2.gz UQYFOWGYOLVROK-UHFFFAOYSA-N 1 0 395.547 4.029 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)Cc2coc(-c3ccccc3)n2)cc1 ZINC000028715227 820353150 /nfs/dbraw/zinc/35/31/50/820353150.db2.gz XYKWXTAEGURNKG-UHFFFAOYSA-N 1 0 377.488 4.042 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCCN(CC(C)(C)C)C1=O)c1ccc(OCC(F)(F)F)cc1 ZINC000460682112 823477219 /nfs/dbraw/zinc/47/72/19/823477219.db2.gz ZXADKYUOBHGFBH-RHSMWYFYSA-N 1 0 386.458 4.315 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H](C)C[C@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC000177484038 823473131 /nfs/dbraw/zinc/47/31/31/823473131.db2.gz LNMOBQACXKUJEF-TWOQFEAHSA-N 1 0 389.540 4.474 20 0 GIADRO COc1ccc([C@H](NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)c2ccco2)cc1 ZINC000573266116 823473196 /nfs/dbraw/zinc/47/31/96/823473196.db2.gz UEYKPMOYXTYGKK-REWPJTCUSA-N 1 0 390.483 4.016 20 0 GIADRO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000028786271 820358082 /nfs/dbraw/zinc/35/80/82/820358082.db2.gz OKUPGPDNLQZMCQ-UHFFFAOYSA-N 1 0 393.890 4.482 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cccc2c3c([nH]c21)CCCC3 ZINC000028837749 820362340 /nfs/dbraw/zinc/36/23/40/820362340.db2.gz QYOAQMOCGXHDNJ-FQEVSTJZSA-N 1 0 377.488 4.207 20 0 GIADRO C[N@H+](CCC(=O)NCc1ccccc1Cl)Cc1ccc(Br)cc1 ZINC000028852587 820364255 /nfs/dbraw/zinc/36/42/55/820364255.db2.gz YZSKPGQSBPMSJU-UHFFFAOYSA-N 1 0 395.728 4.241 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1)C(=O)Nc1cc(F)ccc1F ZINC000028893773 820368849 /nfs/dbraw/zinc/36/88/49/820368849.db2.gz MXCPWELGYOFALJ-WDEREUQCSA-N 1 0 383.236 4.405 20 0 GIADRO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[NH+]1CCC(OCC2CCCC2)CC1 ZINC000177488393 823474053 /nfs/dbraw/zinc/47/40/53/823474053.db2.gz XNGIUNYWQSDJNI-QGZVFWFLSA-N 1 0 376.516 4.016 20 0 GIADRO CO[C@@H](CNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC000410361069 823474101 /nfs/dbraw/zinc/47/41/01/823474101.db2.gz UIJULIGEPRIPQV-CVDCTZTESA-N 1 0 395.547 4.105 20 0 GIADRO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)c1cc[nH]c1C1CC1 ZINC000573273577 823474096 /nfs/dbraw/zinc/47/40/96/823474096.db2.gz NUVVJWNXBKSZIA-XZOQPEGZSA-N 1 0 385.511 4.290 20 0 GIADRO Cc1cccc(OCCN(C)C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)c1 ZINC000410360687 823474139 /nfs/dbraw/zinc/47/41/39/823474139.db2.gz SGRSTJVBODEWAW-UHFFFAOYSA-N 1 0 383.536 4.056 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000028925412 820374359 /nfs/dbraw/zinc/37/43/59/820374359.db2.gz YLMJZMQQEYONQU-QGZVFWFLSA-N 1 0 376.504 4.236 20 0 GIADRO COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]Cc2ccc(C(N)=O)cc2)cc1 ZINC000123179796 823474978 /nfs/dbraw/zinc/47/49/78/823474978.db2.gz BRGGUVCOGCPCNK-QFIPXVFZSA-N 1 0 378.447 4.007 20 0 GIADRO O=C(c1cnc(-c2ccccn2)s1)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000573279863 823475249 /nfs/dbraw/zinc/47/52/49/823475249.db2.gz NZPGHFAXTIWQPW-UHFFFAOYSA-N 1 0 384.549 4.076 20 0 GIADRO COc1cc(OC)c(NC(=O)C[NH2+][C@H](c2ccc(F)cc2)C(C)C)cc1Cl ZINC000029117373 820395568 /nfs/dbraw/zinc/39/55/68/820395568.db2.gz ZTGBMJFBTDBCNC-FQEVSTJZSA-N 1 0 394.874 4.422 20 0 GIADRO COc1cc(OC)c(NC(=O)C[NH2+][C@@H](c2ccc(F)cc2)C(C)C)cc1Cl ZINC000029117375 820395583 /nfs/dbraw/zinc/39/55/83/820395583.db2.gz ZTGBMJFBTDBCNC-HXUWFJFHSA-N 1 0 394.874 4.422 20 0 GIADRO Cc1ccc(C[NH2+]Cc2ccc(Br)s2)c(-n2cc(Cl)cn2)n1 ZINC000190313962 823561816 /nfs/dbraw/zinc/56/18/16/823561816.db2.gz SKQBMDHZGRPRGE-UHFFFAOYSA-N 1 0 397.729 4.343 20 0 GIADRO Cc1oc(-c2ccccc2)nc1C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000029179032 820406925 /nfs/dbraw/zinc/40/69/25/820406925.db2.gz RXUXPSMBKLLBPZ-HXUWFJFHSA-N 1 0 375.472 4.217 20 0 GIADRO O=C(CSc1nc2ccccc2s1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000029177921 820406967 /nfs/dbraw/zinc/40/69/67/820406967.db2.gz UXEPNRDSIQFBAS-GOSISDBHSA-N 1 0 397.569 4.342 20 0 GIADRO O=C(CCc1ccc(OC(F)F)cc1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000029179803 820408020 /nfs/dbraw/zinc/40/80/20/820408020.db2.gz VIQZKTKYSPXFDI-FQEVSTJZSA-N 1 0 388.458 4.174 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCC[C@@H]2c2cccn2C)C1 ZINC000410370005 823477605 /nfs/dbraw/zinc/47/76/05/823477605.db2.gz ZLMXIHIAJMJXJT-WMZHIEFXSA-N 1 0 394.563 4.304 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000058966478 823477037 /nfs/dbraw/zinc/47/70/37/823477037.db2.gz YOWXUQCDEZJBSX-OAHLLOKOSA-N 1 0 389.540 4.500 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)C1 ZINC000177528691 823483087 /nfs/dbraw/zinc/48/30/87/823483087.db2.gz CZXXQFZDFZOPHY-SFHVURJKSA-N 1 0 394.519 4.135 20 0 GIADRO COC1(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(C)cc2)CCOCC1 ZINC000123211041 823479520 /nfs/dbraw/zinc/47/95/20/823479520.db2.gz NAOXQCUTXQYSNT-UHFFFAOYSA-N 1 0 391.515 4.133 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N(C)Cc3cccc(F)c3)cc2)C1 ZINC000410374468 823479708 /nfs/dbraw/zinc/47/97/08/823479708.db2.gz ZHEICFQMUHUUNQ-SFHVURJKSA-N 1 0 383.511 4.399 20 0 GIADRO COc1cccc([C@@H]2[C@H](NC(=O)Nc3cccc(F)c3C)CC[N@@H+]2C2CC2)c1 ZINC000189710471 823480047 /nfs/dbraw/zinc/48/00/47/823480047.db2.gz GYRVQVIEZDHJEJ-NHCUHLMSSA-N 1 0 383.467 4.242 20 0 GIADRO CC(C)(COc1ccc(C(F)(F)F)cn1)[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000123220527 823480520 /nfs/dbraw/zinc/48/05/20/823480520.db2.gz UUAHHKVFETYUQH-UHFFFAOYSA-N 1 0 394.441 4.043 20 0 GIADRO CCOC(=O)Nc1ccc2c(C[N@H+](C)[C@H]3CCc4ccccc43)cc(=O)oc2c1 ZINC000029484683 820461557 /nfs/dbraw/zinc/46/15/57/820461557.db2.gz RDXSAOPQXAMFFQ-FQEVSTJZSA-N 1 0 392.455 4.481 20 0 GIADRO CC(=O)c1cccc(NC(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000410376163 823480753 /nfs/dbraw/zinc/48/07/53/823480753.db2.gz RYNXKAGFBOAQHY-KRWDZBQOSA-N 1 0 379.504 4.443 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1csc(-c2ccccc2)n1 ZINC000059001609 823481222 /nfs/dbraw/zinc/48/12/22/823481222.db2.gz MOBZUNRCPQGYFI-UHFFFAOYSA-N 1 0 383.492 4.153 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1cc(Cl)sc1Cl ZINC000059001633 823481371 /nfs/dbraw/zinc/48/13/71/823481371.db2.gz MGAFSALMBIUDTL-UHFFFAOYSA-N 1 0 375.296 4.398 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)c2cnn(-c3ccc(C)cc3)c2C)cc1 ZINC000029549922 820474574 /nfs/dbraw/zinc/47/45/74/820474574.db2.gz QXGIUCZTOJOTFG-UHFFFAOYSA-N 1 0 390.531 4.261 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCC[C@H]3c3cccn3C)cc2)C1 ZINC000410380662 823481722 /nfs/dbraw/zinc/48/17/22/823481722.db2.gz HRBPJFUETQAQGC-CVDCTZTESA-N 1 0 394.563 4.304 20 0 GIADRO Cc1cc(CNC(=O)C2CC[NH+](C3CC3)CC2)ccc1Oc1ccc(F)cc1 ZINC000573341648 823481842 /nfs/dbraw/zinc/48/18/42/823481842.db2.gz MDGDXWAGKIXKQO-UHFFFAOYSA-N 1 0 382.479 4.417 20 0 GIADRO O=C1[C@H]([NH2+][C@@H](CCc2ccccc2)c2ccccc2)CCN1CC(F)(F)F ZINC000573348490 823482505 /nfs/dbraw/zinc/48/25/05/823482505.db2.gz CTZJRRZJHIXPBI-RBUKOAKNSA-N 1 0 376.422 4.113 20 0 GIADRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(Cn2ccnc2C(C)C)c1 ZINC000177530004 823483741 /nfs/dbraw/zinc/48/37/41/823483741.db2.gz YJJPFKZRSDYGKF-NHCUHLMSSA-N 1 0 395.551 4.145 20 0 GIADRO O=C(NCCC[NH+]1CCCCC1)NCc1ccc(OCc2cccc(F)c2)cc1 ZINC000410408690 823489347 /nfs/dbraw/zinc/48/93/47/823489347.db2.gz SGNAGVSLYMPIHB-UHFFFAOYSA-N 1 0 399.510 4.080 20 0 GIADRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000029692857 820498788 /nfs/dbraw/zinc/49/87/88/820498788.db2.gz ZZWYOSPMJKFIEA-OAQYLSRUSA-N 1 0 396.494 4.178 20 0 GIADRO COc1ccc([C@H]2CCC[N@@H+]2Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)cc1 ZINC000029701259 820500711 /nfs/dbraw/zinc/50/07/11/820500711.db2.gz NJYFFSSWCAAMEF-TZIWHRDSSA-N 1 0 398.466 4.069 20 0 GIADRO C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1CC(=O)N[C@H](c1nccs1)c1ccccc1 ZINC000177532381 823484366 /nfs/dbraw/zinc/48/43/66/823484366.db2.gz ZMDQUVTXUGOJJX-ZNLUXHQJSA-N 1 0 391.540 4.227 20 0 GIADRO C[C@@H]1Oc2ccccc2[C@H]1NC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000573361183 823484461 /nfs/dbraw/zinc/48/44/61/823484461.db2.gz RJUATOGZZZQLOF-JTSKRJEESA-N 1 0 379.504 4.359 20 0 GIADRO CC(C)c1ccc(C[N@H+](C)Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)cc1 ZINC000029715167 820504512 /nfs/dbraw/zinc/50/45/12/820504512.db2.gz SKWZBOBNOPZXMA-HXUWFJFHSA-N 1 0 384.483 4.479 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)Nc1ccccc1OC(C)C)[NH+]1CCCC1 ZINC000059054511 823484586 /nfs/dbraw/zinc/48/45/86/823484586.db2.gz PHJLCHLVFTWFAI-HXUWFJFHSA-N 1 0 397.519 4.441 20 0 GIADRO COCC[N@H+](Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1)C1CCCC1 ZINC000029726309 820507441 /nfs/dbraw/zinc/50/74/41/820507441.db2.gz SCRFXCSJSNDRQY-UHFFFAOYSA-N 1 0 387.545 4.219 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(C)cc2OCc2ccccc2)C1 ZINC000177535468 823484928 /nfs/dbraw/zinc/48/49/28/823484928.db2.gz WMIFNDQEVFZTID-HXUWFJFHSA-N 1 0 381.520 4.380 20 0 GIADRO CC[C@@H](NC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1c(C)noc1C ZINC000123252643 823485656 /nfs/dbraw/zinc/48/56/56/823485656.db2.gz MQXZUBSMHNTQSM-SJLPKXTDSA-N 1 0 390.553 4.015 20 0 GIADRO CN(Cc1ccccc1Br)C(=O)C[N@H+](C)[C@@H]1CCc2ccccc21 ZINC000029810609 820522961 /nfs/dbraw/zinc/52/29/61/820522961.db2.gz LVMLQXQRWHAFND-LJQANCHMSA-N 1 0 387.321 4.027 20 0 GIADRO CCN(C(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1)c1ccccc1 ZINC000029827214 820526559 /nfs/dbraw/zinc/52/65/59/820526559.db2.gz FPKQTGPKKOPWTA-ZWKOTPCHSA-N 1 0 377.488 4.449 20 0 GIADRO C[C@H](C1CC1)[N@H+](CC(=O)Nc1ccccc1N1CCCC1=O)Cc1ccccc1 ZINC000029843754 820531483 /nfs/dbraw/zinc/53/14/83/820531483.db2.gz LECGUXXFVQYYKN-GOSISDBHSA-N 1 0 391.515 4.053 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+](C)CCCOc1ccccc1 ZINC000029852731 820532896 /nfs/dbraw/zinc/53/28/96/820532896.db2.gz HTYZEMLQLBVNSQ-OAHLLOKOSA-N 1 0 376.884 4.077 20 0 GIADRO C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccccc2CC[NH3+])cc1Cl ZINC000573381898 823486764 /nfs/dbraw/zinc/48/67/64/823486764.db2.gz FQXJOVAJGFYJJS-OAHLLOKOSA-N 1 0 399.922 4.108 20 0 GIADRO COc1ncc(C[NH+]2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)c(C)n1 ZINC000410409993 823489722 /nfs/dbraw/zinc/48/97/22/823489722.db2.gz GHRJUEQOMAQHJB-UHFFFAOYSA-N 1 0 396.318 4.282 20 0 GIADRO Fc1ccc(N2CCC[N@H+](Cc3ccc(Oc4cnccn4)cc3)CC2)cc1F ZINC000573390224 823486996 /nfs/dbraw/zinc/48/69/96/823486996.db2.gz ALEJYHUFQFMWEO-UHFFFAOYSA-N 1 0 396.441 4.259 20 0 GIADRO O=C(Nc1cccc(OCCF)c1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000123263302 823487537 /nfs/dbraw/zinc/48/75/37/823487537.db2.gz QBXSBZLALINQDP-UHFFFAOYSA-N 1 0 399.510 4.207 20 0 GIADRO COc1ccccc1NC(=O)C1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000029904543 820544620 /nfs/dbraw/zinc/54/46/20/820544620.db2.gz ZZEBNKKIBPDXBU-UHFFFAOYSA-N 1 0 388.895 4.078 20 0 GIADRO COc1cnccc1[C@@H](C)NC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000189752968 823488331 /nfs/dbraw/zinc/48/83/31/823488331.db2.gz GZMIVQJEXNLIOK-GOSISDBHSA-N 1 0 396.535 4.027 20 0 GIADRO C[C@H](C1CC1)n1cc(NC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000189753889 823488381 /nfs/dbraw/zinc/48/83/81/823488381.db2.gz XHNAVXXNULNSPW-QGZVFWFLSA-N 1 0 396.539 4.020 20 0 GIADRO C[NH+](C)Cc1ccc(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)cc1 ZINC000029952647 820556236 /nfs/dbraw/zinc/55/62/36/820556236.db2.gz UNVJPDUACWURPK-UHFFFAOYSA-N 1 0 379.485 4.314 20 0 GIADRO O=C(c1cc(-c2cccc(Cl)c2)on1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000030034805 820572492 /nfs/dbraw/zinc/57/24/92/820572492.db2.gz KAPNNDGQOZQWJM-UHFFFAOYSA-N 1 0 395.890 4.343 20 0 GIADRO CC(C)c1nccn1Cc1cccc(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000177529957 823483669 /nfs/dbraw/zinc/48/36/69/823483669.db2.gz VWPIGLQKKBWNAS-HXUWFJFHSA-N 1 0 395.551 4.004 20 0 GIADRO O=C(Nc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1)c1ccccc1 ZINC000573355243 823483728 /nfs/dbraw/zinc/48/37/28/823483728.db2.gz IXAUVEVXUZEHJL-YTFSRNRJSA-N 1 0 377.532 4.339 20 0 GIADRO CC[N@H+](Cc1cc(=O)n2ccsc2n1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000123309267 823494339 /nfs/dbraw/zinc/49/43/39/823494339.db2.gz JEKMITFDEYFHPE-GFCCVEGCSA-N 1 0 381.423 4.358 20 0 GIADRO c1c2cccnc2oc1C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000573414307 823490863 /nfs/dbraw/zinc/49/08/63/823490863.db2.gz XSMTUIFVUJZKIV-WZONZLPQSA-N 1 0 386.455 4.432 20 0 GIADRO CC(C)c1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000123290102 823491039 /nfs/dbraw/zinc/49/10/39/823491039.db2.gz MXVKTMYMWCWSTO-MOPGFXCFSA-N 1 0 395.547 4.324 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1nc(C(F)(F)F)cs1)CC3 ZINC000123289094 823491066 /nfs/dbraw/zinc/49/10/66/823491066.db2.gz YXMOVZYCVRREHP-JTQLQIEISA-N 1 0 381.423 4.299 20 0 GIADRO COc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(OC(C)C)c(OC)c1 ZINC000030454947 820618645 /nfs/dbraw/zinc/61/86/45/820618645.db2.gz WBAHJSLRUQCSAO-JKSUJKDBSA-N 1 0 386.492 4.169 20 0 GIADRO COc1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(OC(C)C)c(OC)c1 ZINC000030454949 820618719 /nfs/dbraw/zinc/61/87/19/820618719.db2.gz WBAHJSLRUQCSAO-HZPDHXFCSA-N 1 0 386.492 4.169 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(F)c(F)c2)ccc1OC(C)C ZINC000030492702 820623227 /nfs/dbraw/zinc/62/32/27/820623227.db2.gz CDVILOXJPSDZAP-KGLIPLIRSA-N 1 0 392.446 4.438 20 0 GIADRO Cc1ccc(NC(=O)[C@H](C)[NH2+]CC2(c3ccccc3)CCOCC2)c(Cl)c1 ZINC000030508704 820626645 /nfs/dbraw/zinc/62/66/45/820626645.db2.gz HARAWOLERBJIQF-KRWDZBQOSA-N 1 0 386.923 4.313 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2C)cc1Br ZINC000030509781 820627368 /nfs/dbraw/zinc/62/73/68/820627368.db2.gz UAWGEHJEJXKRTQ-KBPBESRZSA-N 1 0 391.309 4.444 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NC2CCC(C)CC2)cc1Br ZINC000030509862 820627480 /nfs/dbraw/zinc/62/74/80/820627480.db2.gz OPZOWZPOYKUGRT-MYMJJRTCSA-N 1 0 397.357 4.192 20 0 GIADRO COc1ccc2ccccc2c1CN(C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)C1CCCC1 ZINC000573429792 823492320 /nfs/dbraw/zinc/49/23/20/823492320.db2.gz AAFOWEJKWDZWDP-IEBWSBKVSA-N 1 0 395.547 4.430 20 0 GIADRO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ncoc1-c1ccccc1Cl ZINC000460714463 823492327 /nfs/dbraw/zinc/49/23/27/823492327.db2.gz CSIBKVOUHWSDBC-QGZVFWFLSA-N 1 0 395.890 4.389 20 0 GIADRO COc1cc(C[NH2+]C[C@@H](c2ccccc2)N(C)C)ccc1OCc1ccncc1 ZINC000030545050 820637168 /nfs/dbraw/zinc/63/71/68/820637168.db2.gz FKXJGBXIGGKKJN-QFIPXVFZSA-N 1 0 391.515 4.062 20 0 GIADRO COc1cc(C[NH2+]CCc2c[nH]c3ccccc23)ccc1OCc1ccncc1 ZINC000030543921 820637280 /nfs/dbraw/zinc/63/72/80/820637280.db2.gz CWHLJWQSISMVGD-UHFFFAOYSA-N 1 0 387.483 4.483 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Nc1cccc(OC(F)(F)F)c1)c1ccc(F)cc1 ZINC000059356720 823492884 /nfs/dbraw/zinc/49/28/84/823492884.db2.gz UFQBVHQATBUOQP-INIZCTEOSA-N 1 0 385.361 4.149 20 0 GIADRO CCCN(CCC)C(=O)c1cccc(C(=O)Nc2cccc(C[NH2+]CC)c2)c1 ZINC000123302084 823493003 /nfs/dbraw/zinc/49/30/03/823493003.db2.gz NSBCBWFVULVUHT-UHFFFAOYSA-N 1 0 381.520 4.311 20 0 GIADRO CC(C)(C)c1nnc(C[NH2+][C@@H]2CCc3cccc(Br)c3C2)s1 ZINC000573464120 823493056 /nfs/dbraw/zinc/49/30/56/823493056.db2.gz RONABGFGJLPQJJ-GFCCVEGCSA-N 1 0 380.355 4.245 20 0 GIADRO O=C(C[N@H+]1CCC[C@@H]1Cc1cccc(F)c1)Nc1ccc(N2CCCC2)cc1 ZINC000059404630 823495527 /nfs/dbraw/zinc/49/55/27/823495527.db2.gz AAWFTXCOJURGRJ-JOCHJYFZSA-N 1 0 381.495 4.072 20 0 GIADRO Cc1c(C[NH2+]Cc2ccccc2Cn2ccnc2)sc2nc(C)nc(C)c12 ZINC000030651553 820658452 /nfs/dbraw/zinc/65/84/52/820658452.db2.gz VSFVGBTZYHFJAY-UHFFFAOYSA-N 1 0 377.517 4.151 20 0 GIADRO Cn1c(Cl)c(Cl)cc1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000030673455 820663458 /nfs/dbraw/zinc/66/34/58/820663458.db2.gz NVZHNTNIMFYPJA-UHFFFAOYSA-N 1 0 380.319 4.248 20 0 GIADRO COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+][C@@H]2Cc3ccccc3[C@H]2O)c1 ZINC000177583762 823496355 /nfs/dbraw/zinc/49/63/55/823496355.db2.gz ZFAHADDSPKRXGM-FYYLOGMGSA-N 1 0 391.515 4.062 20 0 GIADRO Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000030772968 820680272 /nfs/dbraw/zinc/68/02/72/820680272.db2.gz JMJFCGJQCXATHN-UHFFFAOYSA-N 1 0 383.473 4.216 20 0 GIADRO COc1ccc(C[C@H](C)[NH2+]C[C@H](O)c2ccc(Cl)c(Cl)c2)cc1OC ZINC000059700374 823497341 /nfs/dbraw/zinc/49/73/41/823497341.db2.gz AWHAHHVOZVUTPH-SJCJKPOMSA-N 1 0 384.303 4.265 20 0 GIADRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ncoc2-c2ccccc2Cl)C1 ZINC000460729897 823497452 /nfs/dbraw/zinc/49/74/52/823497452.db2.gz JXWFSYDEESZMMO-GJZGRUSLSA-N 1 0 375.900 4.093 20 0 GIADRO CO[C@H]1CCC[C@@H](C(=O)N(c2cccc(SC)c2)C2CC[NH+](C)CC2)C1 ZINC000410465161 823497537 /nfs/dbraw/zinc/49/75/37/823497537.db2.gz FKMQGBMHENEWBH-APWZRJJASA-N 1 0 376.566 4.041 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1N[C@H](c1nccs1)c1ccccc1 ZINC000123333843 823497660 /nfs/dbraw/zinc/49/76/60/823497660.db2.gz HERPAACDWJBDNO-QMMLZNLJSA-N 1 0 378.545 4.128 20 0 GIADRO CSc1cccc(N(C(=O)CCc2cncc(C)c2)C2CC[NH+](C)CC2)c1 ZINC000410473308 823497970 /nfs/dbraw/zinc/49/79/70/823497970.db2.gz VEUHWKFRVSTPHJ-UHFFFAOYSA-N 1 0 383.561 4.172 20 0 GIADRO O=C(CSc1cccc(F)c1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000177594869 823498096 /nfs/dbraw/zinc/49/80/96/823498096.db2.gz JXQUESQMNGPQGR-UHFFFAOYSA-N 1 0 376.522 4.105 20 0 GIADRO CCN(c1ccc(C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)cc1)C(C)C ZINC000123338949 823498320 /nfs/dbraw/zinc/49/83/20/823498320.db2.gz HFHHVUUIIHEGSD-UHFFFAOYSA-N 1 0 396.535 4.064 20 0 GIADRO CC(C)[C@@H](C[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1)c1cccnc1 ZINC000177595728 823498406 /nfs/dbraw/zinc/49/84/06/823498406.db2.gz VQYRJNGDEVFMBU-GOSISDBHSA-N 1 0 381.501 4.463 20 0 GIADRO Cc1cc(C[NH2+][C@@H]2CCCc3c2cnn3C)cc(C)c1OCc1ccccn1 ZINC000030908489 820706953 /nfs/dbraw/zinc/70/69/53/820706953.db2.gz VSLABXBKFFETQN-OAQYLSRUSA-N 1 0 376.504 4.178 20 0 GIADRO Cc1cccc2nc(C3CC[NH+](C[C@H](O)COCc4ccccc4F)CC3)oc21 ZINC000189810513 823499450 /nfs/dbraw/zinc/49/94/50/823499450.db2.gz GCFCLEHFJHEDTG-IBGZPJMESA-N 1 0 398.478 4.032 20 0 GIADRO COc1cccc([C@@H](C)CC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000177606512 823499934 /nfs/dbraw/zinc/49/99/34/823499934.db2.gz XPFLNUIDZWBZDN-KRWDZBQOSA-N 1 0 384.495 4.109 20 0 GIADRO COc1ccccc1NC(=O)C[C@H](C)N[C@H](c1nccs1)c1ccccc1 ZINC000123348218 823499996 /nfs/dbraw/zinc/49/99/96/823499996.db2.gz YBDMIDLNCSFXLX-YWZLYKJASA-N 1 0 381.501 4.248 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNS(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000059829410 823499964 /nfs/dbraw/zinc/49/99/64/823499964.db2.gz ARVRNZQSPONRNW-OKILXGFUSA-N 1 0 393.380 4.030 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)CC(F)(F)F)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000189835323 823503952 /nfs/dbraw/zinc/50/39/52/823503952.db2.gz XTZYUVOOUSYWHQ-PXAZEXFGSA-N 1 0 384.373 4.042 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(Cl)c2cc(Cl)ccc2n1 ZINC000410556631 823504324 /nfs/dbraw/zinc/50/43/24/823504324.db2.gz ZYQITBMQKFPUMZ-KGLIPLIRSA-N 1 0 378.303 4.240 20 0 GIADRO O=C(NCCc1cccc2ccccc21)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000031096020 820740324 /nfs/dbraw/zinc/74/03/24/820740324.db2.gz AZYJMXLQQZAUJU-UHFFFAOYSA-N 1 0 387.527 4.346 20 0 GIADRO Cc1ccc(CC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1Br ZINC000189855305 823506473 /nfs/dbraw/zinc/50/64/73/823506473.db2.gz ZEWRYQVQDUUTQE-NVXWUHKLSA-N 1 0 393.369 4.069 20 0 GIADRO CC[C@@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccccc1OC(F)F ZINC000031106811 820744891 /nfs/dbraw/zinc/74/48/91/820744891.db2.gz UKYWRFLIYFQFIW-OAHLLOKOSA-N 1 0 383.483 4.348 20 0 GIADRO CC[C@@H](NC(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1ccccc1OC ZINC000031150122 820754809 /nfs/dbraw/zinc/75/48/09/820754809.db2.gz CPEVFDOVFJBDSS-JOCHJYFZSA-N 1 0 395.547 4.153 20 0 GIADRO Cc1cccc2nc(C3CC[NH+](Cc4cc(=O)oc5cc(O)ccc45)CC3)oc21 ZINC000189818060 823501260 /nfs/dbraw/zinc/50/12/60/823501260.db2.gz WXWBJKRPTXKBOY-UHFFFAOYSA-N 1 0 390.439 4.328 20 0 GIADRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1cc2c(cccc2OC(F)F)[nH]1 ZINC000031210809 820770323 /nfs/dbraw/zinc/77/03/23/820770323.db2.gz BZZZSLPRVZZCAO-IBGZPJMESA-N 1 0 399.441 4.336 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)Nc2cccc(N3CCCCC3=O)c2)cc1 ZINC000031234969 820775629 /nfs/dbraw/zinc/77/56/29/820775629.db2.gz UGVHUAJVNBOYSU-UHFFFAOYSA-N 1 0 379.504 4.298 20 0 GIADRO c1ccc2nc(N3CCCCC3)c(C[NH2+]CCCOCC3CCOCC3)cc2c1 ZINC000123401355 823505830 /nfs/dbraw/zinc/50/58/30/823505830.db2.gz KSZVXGCBRCJJEN-UHFFFAOYSA-N 1 0 397.563 4.148 20 0 GIADRO CC[NH+]1CCC(NC(=O)c2ccc(-c3ccc(Br)cc3)s2)CC1 ZINC000031264202 820780770 /nfs/dbraw/zinc/78/07/70/820780770.db2.gz HZSLBRONLAJMSM-UHFFFAOYSA-N 1 0 393.350 4.392 20 0 GIADRO Cc1cc(C(=O)Nc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)ccc1-n1cncn1 ZINC000460743376 823502188 /nfs/dbraw/zinc/50/21/88/823502188.db2.gz OAPQIVIMRSZCEP-GOSISDBHSA-N 1 0 389.503 4.202 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)N2CCC([C@H](O)c3ccccc3)CC2)cc1 ZINC000031271540 820783721 /nfs/dbraw/zinc/78/37/21/820783721.db2.gz QRXMOINQWUESAU-HSZRJFAPSA-N 1 0 380.532 4.114 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)cc1 ZINC000031271538 820783783 /nfs/dbraw/zinc/78/37/83/820783783.db2.gz QRXMOINQWUESAU-QHCPKHFHSA-N 1 0 380.532 4.114 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CCOCC(F)(F)C(F)F)cc1Br ZINC000189821917 823502361 /nfs/dbraw/zinc/50/23/61/823502361.db2.gz FJUDOWPOYOUEDZ-VIFPVBQESA-N 1 0 388.199 4.025 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000031309068 820789692 /nfs/dbraw/zinc/78/96/92/820789692.db2.gz HFUBHIZMWCSPBA-KRWDZBQOSA-N 1 0 379.504 4.122 20 0 GIADRO COc1ccc2cc([C@H](C)C(=O)N(CC[NH+](C)C)Cc3ccc(C)o3)ccc2c1 ZINC000059924241 823502936 /nfs/dbraw/zinc/50/29/36/823502936.db2.gz VAJKDHCWHOKACH-SFHVURJKSA-N 1 0 394.515 4.444 20 0 GIADRO COc1ccc(OC)c([C@@H](C)NC(=O)C[N@H+](C2CC2)[C@@H]2CCc3ccccc32)c1 ZINC000060061570 823506404 /nfs/dbraw/zinc/50/64/04/823506404.db2.gz IRNMMBBOJLIFFK-OPAMFIHVSA-N 1 0 394.515 4.033 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)[C@@H]1CCSc2ccccc21 ZINC000460748206 823503386 /nfs/dbraw/zinc/50/33/86/823503386.db2.gz WCLOPRLBHJRWSP-HXUWFJFHSA-N 1 0 398.572 4.303 20 0 GIADRO O=C(c1ccccc1)C1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000059949299 823503560 /nfs/dbraw/zinc/50/35/60/823503560.db2.gz RVJOFOGAUMQRHB-UHFFFAOYSA-N 1 0 376.500 4.018 20 0 GIADRO Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000060064631 823506808 /nfs/dbraw/zinc/50/68/08/823506808.db2.gz LQFACQZMFFXXJU-UHFFFAOYSA-N 1 0 388.943 4.076 20 0 GIADRO N#CCSc1ccccc1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000031493408 820817608 /nfs/dbraw/zinc/81/76/08/820817608.db2.gz JOXCCDAEOLNCCW-UHFFFAOYSA-N 1 0 379.529 4.218 20 0 GIADRO CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1[NH2+]Cc1nccn1CCCc1ccccc1 ZINC000123419655 823507406 /nfs/dbraw/zinc/50/74/06/823507406.db2.gz GWOJKHUBAYPCBJ-PMACEKPBSA-N 1 0 398.551 4.051 20 0 GIADRO Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000060092947 823507741 /nfs/dbraw/zinc/50/77/41/823507741.db2.gz NYWWPZVXUKAYOT-INIZCTEOSA-N 1 0 388.943 4.076 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)[C@@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC000123424073 823507749 /nfs/dbraw/zinc/50/77/49/823507749.db2.gz OESRSYCMZYVYMD-RTBURBONSA-N 1 0 376.422 4.187 20 0 GIADRO O=C(Cc1ccc(Cl)c(Cl)c1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000031566059 820827334 /nfs/dbraw/zinc/82/73/34/820827334.db2.gz CEICXHXCVYWHIB-QGZVFWFLSA-N 1 0 377.315 4.317 20 0 GIADRO CC(=O)N[C@@H](CC(=O)Nc1cccc(C[NH+]2CCCCC2)c1)c1ccc(C)cc1 ZINC000031620171 820835176 /nfs/dbraw/zinc/83/51/76/820835176.db2.gz BVANUHLWWQLXDA-QHCPKHFHSA-N 1 0 393.531 4.187 20 0 GIADRO CC(C)[C@@H](NC(=O)c1cccs1)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000031620793 820835407 /nfs/dbraw/zinc/83/54/07/820835407.db2.gz OCSSWTMKWYGQSV-HXUWFJFHSA-N 1 0 399.560 4.127 20 0 GIADRO O=C([C@H]1CC[N@@H+](C2CCCCC2)C1)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000177657479 823508839 /nfs/dbraw/zinc/50/88/39/823508839.db2.gz BGZVZQRZIIAELT-ROUUACIJSA-N 1 0 381.520 4.188 20 0 GIADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)CCCOc2ccc(Cl)cc2Cl)C1 ZINC000060207765 823512056 /nfs/dbraw/zinc/51/20/56/823512056.db2.gz AYBKRTMXLRXMOV-OAHLLOKOSA-N 1 0 387.351 4.389 20 0 GIADRO O=C(NCc1ccccc1F)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000031723657 820852072 /nfs/dbraw/zinc/85/20/72/820852072.db2.gz VIHQBCXVTKWHMM-LJQANCHMSA-N 1 0 375.875 4.115 20 0 GIADRO C[C@@H](C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1)n1cnc2ccccc21 ZINC000031812517 820864478 /nfs/dbraw/zinc/86/44/78/820864478.db2.gz WOEJBUWDVQJWCY-FXAWDEMLSA-N 1 0 396.560 4.248 20 0 GIADRO CC(C)[C@H](CNC(=O)c1ccc(OCc2cccnc2)cc1)[NH+]1CCC(C)CC1 ZINC000031900614 820872754 /nfs/dbraw/zinc/87/27/54/820872754.db2.gz WQFHOKRGOVVROJ-QHCPKHFHSA-N 1 0 395.547 4.147 20 0 GIADRO CC(C)[C@@H](CNC(=O)c1ccc(OCc2cccnc2)cc1)[NH+]1CCC(C)CC1 ZINC000031900619 820872842 /nfs/dbraw/zinc/87/28/42/820872842.db2.gz WQFHOKRGOVVROJ-HSZRJFAPSA-N 1 0 395.547 4.147 20 0 GIADRO CCCc1ccc(C(=O)NCC2CC[NH+](Cc3ccc(OC)cc3)CC2)cc1 ZINC000060185673 823511155 /nfs/dbraw/zinc/51/11/55/823511155.db2.gz XPINMAWBNDETKO-UHFFFAOYSA-N 1 0 380.532 4.290 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1)c1ccsc1 ZINC000031983174 820883058 /nfs/dbraw/zinc/88/30/58/820883058.db2.gz QOJPXWMPRCVNNF-CWFSZBLJSA-N 1 0 399.560 4.156 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Cc1ccc(-n2cccc2)cc1)c1ccsc1 ZINC000031983470 820883393 /nfs/dbraw/zinc/88/33/93/820883393.db2.gz ANRBQONYHZQPAD-OAQYLSRUSA-N 1 0 381.545 4.281 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1cc(Br)ccc1F)c1ccsc1 ZINC000031984562 820883492 /nfs/dbraw/zinc/88/34/92/820883492.db2.gz ICSOLXUZXVQNMF-MRXNPFEDSA-N 1 0 399.329 4.463 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(C(F)(F)F)nc1C)c1ccsc1 ZINC000031983778 820883579 /nfs/dbraw/zinc/88/35/79/820883579.db2.gz RGIZPAUXKAAJRF-HNNXBMFYSA-N 1 0 385.455 4.283 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(OC(F)F)c(OC)c1)c1ccsc1 ZINC000031989020 820886014 /nfs/dbraw/zinc/88/60/14/820886014.db2.gz FOUBPLNIANVPGY-OAHLLOKOSA-N 1 0 398.475 4.171 20 0 GIADRO Cc1cc(C(=O)NCCCC[NH+]2CCN(c3cccc(C)c3)CC2)c(C)s1 ZINC000032066978 820893119 /nfs/dbraw/zinc/89/31/19/820893119.db2.gz BXDJDFIEHFKPQY-UHFFFAOYSA-N 1 0 385.577 4.006 20 0 GIADRO Cc1cccc(Cl)c1NC(=O)CNC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000189955992 823517663 /nfs/dbraw/zinc/51/76/63/823517663.db2.gz IGYXYQGYLSVDIK-ROUUACIJSA-N 1 0 399.966 4.333 20 0 GIADRO C[C@@H](CCNC(=O)N(CCC(F)(F)F)Cc1ccccc1)[NH+]1CCCCC1 ZINC000189914199 823513177 /nfs/dbraw/zinc/51/31/77/823513177.db2.gz KDZHFOIOOZPFND-KRWDZBQOSA-N 1 0 385.474 4.415 20 0 GIADRO O=C(NCCSc1ccccc1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000060244804 823513260 /nfs/dbraw/zinc/51/32/60/823513260.db2.gz ACHXLGNUZGJPCQ-KRWDZBQOSA-N 1 0 389.590 4.052 20 0 GIADRO COc1ccc2sc(C(=O)NC[C@@H](c3cccc(F)c3)[NH+](C)C)c(C)c2c1 ZINC000460790873 823513289 /nfs/dbraw/zinc/51/32/89/823513289.db2.gz DLMHCUMUCWPMSW-SFHVURJKSA-N 1 0 386.492 4.390 20 0 GIADRO COc1ccccc1NC(=O)C1CC[NH+](CCCOc2cc(C)cc(C)c2)CC1 ZINC000177684701 823513339 /nfs/dbraw/zinc/51/33/39/823513339.db2.gz QNCAYZITADFSDK-UHFFFAOYSA-N 1 0 396.531 4.432 20 0 GIADRO CCOC(=O)c1csc(CC[NH2+][C@H](CC)c2ccc(Br)cc2)n1 ZINC000189914753 823513412 /nfs/dbraw/zinc/51/34/12/823513412.db2.gz BKPGHIXWIPTZMF-CQSZACIVSA-N 1 0 397.338 4.366 20 0 GIADRO O=C(CSc1ccc(Cl)cc1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000032217751 820903579 /nfs/dbraw/zinc/90/35/79/820903579.db2.gz UGWYOAWLXFNEKR-INIZCTEOSA-N 1 0 380.966 4.447 20 0 GIADRO Cc1c(O)ccc2c(C[N@@H+](Cc3cccc(F)c3)C[C@H]3CCCO3)cc(=O)oc12 ZINC000060269493 823513862 /nfs/dbraw/zinc/51/38/62/823513862.db2.gz ZVVOVUPDSRJSOK-LJQANCHMSA-N 1 0 397.446 4.127 20 0 GIADRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)CCCOc3ccccc3Cl)C2)CC1 ZINC000060275062 823514002 /nfs/dbraw/zinc/51/40/02/823514002.db2.gz WMUCYXDMYPVYJI-IBGZPJMESA-N 1 0 392.971 4.470 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC1([C@@H](O)c2ccccc2)CC1)CC3 ZINC000123491111 823514153 /nfs/dbraw/zinc/51/41/53/823514153.db2.gz KUOHQYXZECHWON-HXOBKFHXSA-N 1 0 376.500 4.137 20 0 GIADRO CCc1ccsc1C(=O)Nc1ccc(OC)c(OCC[NH+](CC)CC)c1 ZINC000060304716 823514716 /nfs/dbraw/zinc/51/47/16/823514716.db2.gz ZNOJNHUNMREOJF-UHFFFAOYSA-N 1 0 376.522 4.292 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Nc1cccc(C(F)(F)F)n1 ZINC000123501432 823515173 /nfs/dbraw/zinc/51/51/73/823515173.db2.gz YSSOFALCIMEVRN-UHFFFAOYSA-N 1 0 380.414 4.216 20 0 GIADRO Cc1nc(-c2ccccc2)sc1C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000032400411 820934477 /nfs/dbraw/zinc/93/44/77/820934477.db2.gz UDFBQHRRQFLICT-UHFFFAOYSA-N 1 0 391.540 4.297 20 0 GIADRO C[C@@H](C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)[N@@H+]1CCC2(CCC2)C1 ZINC000123508565 823515718 /nfs/dbraw/zinc/51/57/18/823515718.db2.gz HGUODPWFOVXYEJ-HNNXBMFYSA-N 1 0 383.517 4.203 20 0 GIADRO COc1cc(C2(C(=O)NC[C@H](c3ccc(C)cc3)[NH+]3CCCC3)CC2)ccc1C ZINC000060324397 823515850 /nfs/dbraw/zinc/51/58/50/823515850.db2.gz GFCAYLPCKWBWPY-JOCHJYFZSA-N 1 0 392.543 4.297 20 0 GIADRO CCC[NH+]1CCC(NC(=O)c2cc(NC(=O)CC(C)(C)C)ccc2Cl)CC1 ZINC000460801596 823516109 /nfs/dbraw/zinc/51/61/09/823516109.db2.gz HYWZNJKABZTIIS-UHFFFAOYSA-N 1 0 393.959 4.319 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)COc1cccc2[nH]ccc21)c1ccc(Br)cc1 ZINC000177731497 823518110 /nfs/dbraw/zinc/51/81/10/823518110.db2.gz LQPCURBMIYNQQP-CZUORRHYSA-N 1 0 389.293 4.021 20 0 GIADRO CC[C@H](CNC(=O)/C=C/c1ccc2ccccc2n1)[N@@H+]1CCc2ccccc2C1 ZINC000032446254 820945899 /nfs/dbraw/zinc/94/58/99/820945899.db2.gz ADDXFKPPMHFWPJ-YAOQVBECSA-N 1 0 385.511 4.201 20 0 GIADRO CN(C(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F)c1cccc2cccnc21 ZINC000410816329 823516451 /nfs/dbraw/zinc/51/64/51/823516451.db2.gz XORWGGFXZMFULK-HUUCEWRRSA-N 1 0 379.426 4.106 20 0 GIADRO COc1ccc([C@@H](CNC(=O)c2ccc3cc[nH]c3c2)[NH+]2CCCCC2)cc1 ZINC000032485613 820957779 /nfs/dbraw/zinc/95/77/79/820957779.db2.gz TWZWZZFDWZSVBX-JOCHJYFZSA-N 1 0 377.488 4.134 20 0 GIADRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCc1nc(-c2ccccc2F)no1 ZINC000189955062 823517438 /nfs/dbraw/zinc/51/74/38/823517438.db2.gz YTOPYAWNEJBZCO-IRXDYDNUSA-N 1 0 394.494 4.122 20 0 GIADRO CCCc1cccc(C(C)C)c1NC(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000189953890 823517523 /nfs/dbraw/zinc/51/75/23/823517523.db2.gz CXVUQDVQDHTADJ-LJQANCHMSA-N 1 0 375.557 4.121 20 0 GIADRO COc1ccc([C@H](CNc2ccc(C#N)cc2[N+](=O)[O-])[NH+]2CCCCC2)cc1 ZINC000032533950 820966077 /nfs/dbraw/zinc/96/60/77/820966077.db2.gz UUXYVBJDIONQKA-NRFANRHFSA-N 1 0 380.448 4.114 20 0 GIADRO CCCc1cccc(C(C)C)c1NC(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000189966831 823519081 /nfs/dbraw/zinc/51/90/81/823519081.db2.gz WKEXJTLFNAPPJN-GOSISDBHSA-N 1 0 387.568 4.480 20 0 GIADRO COc1ccc2cc(C(=O)NC[C@H](c3ccc(C)o3)[NH+]3CCCC3)c(C)nc2c1 ZINC000060355163 823519075 /nfs/dbraw/zinc/51/90/75/823519075.db2.gz DWSZLYMMEIBXRU-OAQYLSRUSA-N 1 0 393.487 4.020 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)c2cc(F)c(Cl)cc2F)CC1 ZINC000123815723 823542648 /nfs/dbraw/zinc/54/26/48/823542648.db2.gz ASBXLUWLNMVVPF-UHFFFAOYSA-N 1 0 378.850 4.355 20 0 GIADRO CCc1ccc([C@@H](CNC(=O)N2CCC[C@@H]2c2csc(C)n2)[NH+](C)C)cc1 ZINC000189972733 823519761 /nfs/dbraw/zinc/51/97/61/823519761.db2.gz NXNRMDOBTCZHRX-WOJBJXKFSA-N 1 0 386.565 4.163 20 0 GIADRO C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)c1 ZINC000032680771 820990857 /nfs/dbraw/zinc/99/08/57/820990857.db2.gz ZUEAQMUAWNCBKJ-WIYYLYMNSA-N 1 0 397.563 4.200 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1cccc(N2CCOC2=O)c1)c1ccc(-n2cccn2)cc1 ZINC000177749038 823520238 /nfs/dbraw/zinc/52/02/38/823520238.db2.gz WKMOOHHWZQFAHI-IAGOWNOFSA-N 1 0 376.460 4.241 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)CSCc1cccc(Cl)c1)c1cccc(F)c1 ZINC000032728651 820997622 /nfs/dbraw/zinc/99/76/22/820997622.db2.gz CYKQYHYBNSOUFT-SFHVURJKSA-N 1 0 380.916 4.131 20 0 GIADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)Nc1ccc(OC)cc1OC ZINC000123551195 823520297 /nfs/dbraw/zinc/52/02/97/823520297.db2.gz LCWZZQXPAJZETE-UHFFFAOYSA-N 1 0 391.537 4.141 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1ccccc1Cc1ccccc1)c1cccc(F)c1 ZINC000032730544 820998620 /nfs/dbraw/zinc/99/86/20/820998620.db2.gz ZQWZMQHRZSVFMF-HSZRJFAPSA-N 1 0 376.475 4.449 20 0 GIADRO Cc1ccc(-c2nc(C)c(C(=O)NC[C@H](c3cccc(F)c3)[NH+](C)C)s2)o1 ZINC000032731432 820998646 /nfs/dbraw/zinc/99/86/46/820998646.db2.gz MMEZSCUDHOQXGH-MRXNPFEDSA-N 1 0 387.480 4.192 20 0 GIADRO Cc1ccc(COc2ccc(C[NH+]3CCC(Cn4cncn4)CC3)cc2)cc1 ZINC000189977314 823520428 /nfs/dbraw/zinc/52/04/28/823520428.db2.gz SRCTUBGFUGXRAQ-UHFFFAOYSA-N 1 0 376.504 4.078 20 0 GIADRO CC(C)c1cc(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)c2cnn(C(C)C)c2n1 ZINC000032732989 820999380 /nfs/dbraw/zinc/99/93/80/820999380.db2.gz SLMPUXUCDHEQNA-IRXDYDNUSA-N 1 0 385.556 4.128 20 0 GIADRO CC(C)c1ccc(-c2noc(CCC(=O)NC[C@@H](C)[N@@H+]3CCCC[C@@H]3C)n2)cc1 ZINC000032737036 821000986 /nfs/dbraw/zinc/00/09/86/821000986.db2.gz RNBCWKMHYIHXMP-ZWKOTPCHSA-N 1 0 398.551 4.172 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)c1ccc(F)c(F)c1)c1ccc(OCC(F)(F)F)cc1 ZINC000177753470 823520785 /nfs/dbraw/zinc/52/07/85/823520785.db2.gz IDMQAMXHWHABLI-APPDUMDISA-N 1 0 375.337 4.290 20 0 GIADRO C[NH+](C)CCN(C(=O)c1cnc(Cc2ccc(F)cc2)s1)c1ccccc1 ZINC000060373203 823520921 /nfs/dbraw/zinc/52/09/21/823520921.db2.gz LYIYGJAGHYTSLF-UHFFFAOYSA-N 1 0 383.492 4.081 20 0 GIADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccc(N2CCCCCC2)nc1 ZINC000032763013 821005175 /nfs/dbraw/zinc/00/51/75/821005175.db2.gz BNJLHUQXYVQNCJ-IBGZPJMESA-N 1 0 398.576 4.090 20 0 GIADRO Cc1ccc(-n2ncc(C(=O)N3CC[C@@H]([NH+]4CCCC4)C3)c2C2CC2)cc1Cl ZINC000060374031 823521128 /nfs/dbraw/zinc/52/11/28/823521128.db2.gz KUXVHOMAQSOLJK-GOSISDBHSA-N 1 0 398.938 4.022 20 0 GIADRO O=C(Nc1ccccc1)c1cccc(C[N@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)c1 ZINC000123584480 823523839 /nfs/dbraw/zinc/52/38/39/823523839.db2.gz SKOUSUDKANZPSF-YADHBBJMSA-N 1 0 396.556 4.425 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1csc(-c2ccc(Cl)s2)n1 ZINC000177758874 823521711 /nfs/dbraw/zinc/52/17/11/823521711.db2.gz IRLRKINHDWPSPZ-KGLIPLIRSA-N 1 0 395.981 4.153 20 0 GIADRO CSc1ccc(Cl)c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000032896564 821018011 /nfs/dbraw/zinc/01/80/11/821018011.db2.gz QXSMUCXNOOSSEM-UHFFFAOYSA-N 1 0 375.925 4.066 20 0 GIADRO CC(C)[N@H+](CCC(=O)Nc1ccc(Br)cc1)Cc1cccnc1 ZINC000411406198 823570804 /nfs/dbraw/zinc/57/08/04/823570804.db2.gz FGVZZRZGQGMFAI-UHFFFAOYSA-N 1 0 376.298 4.083 20 0 GIADRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCOc1ccc2ccccc2c1 ZINC000177767451 823522959 /nfs/dbraw/zinc/52/29/59/823522959.db2.gz NSYIEXHKCZPMDZ-HNNXBMFYSA-N 1 0 383.879 4.274 20 0 GIADRO CC[C@H](C(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1)c1ccc(F)cc1 ZINC000460849594 823528151 /nfs/dbraw/zinc/52/81/51/823528151.db2.gz WWCSHYAYPFPDRE-QFIPXVFZSA-N 1 0 384.495 4.062 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1c(C)nn(-c2ccccc2)c1C)c1ccccc1 ZINC000036063031 821068190 /nfs/dbraw/zinc/06/81/90/821068190.db2.gz XTZZUWOLUNIVKI-QFIPXVFZSA-N 1 0 390.531 4.302 20 0 GIADRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccc(OC(F)(F)F)cc1 ZINC000036659950 821074480 /nfs/dbraw/zinc/07/44/80/821074480.db2.gz KYGQAOBKEZWQFT-GOSISDBHSA-N 1 0 378.394 4.152 20 0 GIADRO CCc1ccc([C@H](C)[NH2+]Cc2ccc(S(=O)(=O)N(CC)CC)cc2)s1 ZINC000177818814 823530158 /nfs/dbraw/zinc/53/01/58/823530158.db2.gz LKKIKJBXXLJIPU-HNNXBMFYSA-N 1 0 380.579 4.192 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1c(C)onc1-c1ccccc1)c1ccccc1 ZINC000036692797 821076192 /nfs/dbraw/zinc/07/61/92/821076192.db2.gz DLVSWVBCJJKOJA-FQEVSTJZSA-N 1 0 377.488 4.463 20 0 GIADRO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(COc2ccc(F)cc2)o1 ZINC000036697691 821076570 /nfs/dbraw/zinc/07/65/70/821076570.db2.gz XYRVFVDNILQKSR-IBGZPJMESA-N 1 0 394.446 4.002 20 0 GIADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)CCSc2ccc(Cl)cc2)o1 ZINC000060407560 823524258 /nfs/dbraw/zinc/52/42/58/823524258.db2.gz JELQIFPBRPZNPQ-UHFFFAOYSA-N 1 0 380.941 4.314 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)c2nn(-c3ccccc3)c3c2CCC3)c1 ZINC000036748402 821081209 /nfs/dbraw/zinc/08/12/09/821081209.db2.gz PZNRLMNPZNXQRS-UHFFFAOYSA-N 1 0 388.515 4.455 20 0 GIADRO CCOc1ccc(C(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1OC ZINC000060414248 823524871 /nfs/dbraw/zinc/52/48/71/823524871.db2.gz NHPYBPJRUADXJX-GOSISDBHSA-N 1 0 396.531 4.256 20 0 GIADRO CCN(C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)[C@@H]1CCOC(C)(C)C1 ZINC000460834315 823525218 /nfs/dbraw/zinc/52/52/18/823525218.db2.gz AHAAMMXVQCNZHO-NFBKMPQASA-N 1 0 387.568 4.030 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)c1ccccc1C(F)(F)F)c1cccc(N2CCOC2=O)c1 ZINC000177779514 823525193 /nfs/dbraw/zinc/52/51/93/823525193.db2.gz DFPLMSOAXOISPX-FZKQIMNGSA-N 1 0 394.393 4.046 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)c1ccccc1C(F)(F)F)c1ccc(-n2cccn2)cc1 ZINC000177779654 823525230 /nfs/dbraw/zinc/52/52/30/823525230.db2.gz AXKCQWVLOQDVQJ-IFXJQAMLSA-N 1 0 375.394 4.275 20 0 GIADRO COc1cc(F)c([C@H](C)[NH2+]C[C@H](O)c2ccccc2C(F)(F)F)cc1OC ZINC000177780015 823525460 /nfs/dbraw/zinc/52/54/60/823525460.db2.gz NHDMQOITRCXGNV-ZBEGNZNMSA-N 1 0 387.373 4.246 20 0 GIADRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000038583368 821098034 /nfs/dbraw/zinc/09/80/34/821098034.db2.gz APEVLJZKZHUNJN-UHFFFAOYSA-N 1 0 376.422 4.347 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)NC(c1ccccc1)c1ccccc1)c1cccs1 ZINC000038629350 821098323 /nfs/dbraw/zinc/09/83/23/821098323.db2.gz ZHTYMUKIHQLHPD-LJQANCHMSA-N 1 0 379.529 4.440 20 0 GIADRO O=c1cc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)c2ccc(O)cc2o1 ZINC000038658340 821098727 /nfs/dbraw/zinc/09/87/27/821098727.db2.gz OOLGVPYRAFWNAH-CQSZACIVSA-N 1 0 392.480 4.488 20 0 GIADRO CCc1ccc([C@@H](C)[NH2+]Cc2ccc(S(=O)(=O)N(CC)CC)cc2)s1 ZINC000177818802 823530185 /nfs/dbraw/zinc/53/01/85/823530185.db2.gz LKKIKJBXXLJIPU-OAHLLOKOSA-N 1 0 380.579 4.192 20 0 GIADRO CN(Cc1nc2c(s1)CCCC2)Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000177787456 823526246 /nfs/dbraw/zinc/52/62/46/823526246.db2.gz GMYBCAYHTUERDS-UHFFFAOYSA-N 1 0 380.513 4.249 20 0 GIADRO CCC[N@@H+]1CC[C@@H](CNC(=O)N(Cc2cc(F)ccc2F)C2CCCC2)C1 ZINC000177794644 823526894 /nfs/dbraw/zinc/52/68/94/823526894.db2.gz FUOLTOTZWWSRCN-INIZCTEOSA-N 1 0 379.495 4.151 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2cccc(C(F)(F)F)n2)C1 ZINC000123625716 823527104 /nfs/dbraw/zinc/52/71/04/823527104.db2.gz FXVNPADSCMPEPP-CABCVRRESA-N 1 0 384.446 4.219 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]C[C@H](O)COc1ccccc1 ZINC000177797031 823527287 /nfs/dbraw/zinc/52/72/87/823527287.db2.gz JUERNBYQTOEVDR-KSSFIOAISA-N 1 0 386.492 4.348 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1ncc(-c2ccccc2Cl)o1 ZINC000177820358 823530686 /nfs/dbraw/zinc/53/06/86/823530686.db2.gz HNSJMVZSCIKIET-CVEARBPZSA-N 1 0 387.911 4.013 20 0 GIADRO Cn1ccc2cccc(NC(=O)NC[C@H]3CCC[N@H+](C)[C@@H]3c3cccs3)c21 ZINC000190050019 823530711 /nfs/dbraw/zinc/53/07/11/823530711.db2.gz KCEXORIWYSSCGF-UZLBHIALSA-N 1 0 382.533 4.444 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccc(Br)s1 ZINC000177824770 823531497 /nfs/dbraw/zinc/53/14/97/823531497.db2.gz XNEFXZBQUJWYES-QWRGUYRKSA-N 1 0 388.352 4.326 20 0 GIADRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1ccc2ncccc2c1 ZINC000123687748 823531587 /nfs/dbraw/zinc/53/15/87/823531587.db2.gz GCYKOPRMKWLOMZ-UHFFFAOYSA-N 1 0 377.513 4.344 20 0 GIADRO CCOc1ccc(CC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000060475079 823532172 /nfs/dbraw/zinc/53/21/72/823532172.db2.gz MRFDGZGOHJRVRX-LJQANCHMSA-N 1 0 380.532 4.176 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)Nc2cccc(C(F)(F)F)n2)CC1 ZINC000123693491 823532235 /nfs/dbraw/zinc/53/22/35/823532235.db2.gz LEAXNGHIJXUYAB-UHFFFAOYSA-N 1 0 392.425 4.195 20 0 GIADRO COc1ccc2sc(C(=O)NCc3cccc(OCC[NH+](C)C)c3)c(C)c2c1 ZINC000460867548 823532443 /nfs/dbraw/zinc/53/24/43/823532443.db2.gz AKIWUJPGMRKKQF-UHFFFAOYSA-N 1 0 398.528 4.089 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)Cc1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC000040615247 821162349 /nfs/dbraw/zinc/16/23/49/821162349.db2.gz AFYZVSBEBFQKGU-HXUWFJFHSA-N 1 0 386.923 4.235 20 0 GIADRO CC[NH+]1CCC(N(C)C(=O)c2ccc(-c3cc(F)c(F)c(F)c3)cc2)CC1 ZINC000460871527 823533273 /nfs/dbraw/zinc/53/32/73/823533273.db2.gz ORVMERZHVVFXHD-UHFFFAOYSA-N 1 0 376.422 4.327 20 0 GIADRO Cc1ccc(Br)cc1C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000460883208 823535687 /nfs/dbraw/zinc/53/56/87/823535687.db2.gz MQUVZZFSFTVLAK-KRWDZBQOSA-N 1 0 393.369 4.486 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1ccccc1 ZINC000041021999 821168144 /nfs/dbraw/zinc/16/81/44/821168144.db2.gz NDLQZHBURZEAHH-LJQANCHMSA-N 1 0 397.906 4.347 20 0 GIADRO CC(C)C[NH+]1CCC(NC(=O)CCOc2ccccc2-c2ccccc2)CC1 ZINC000060490315 823533908 /nfs/dbraw/zinc/53/39/08/823533908.db2.gz YLTQMCGEYFBZGZ-UHFFFAOYSA-N 1 0 380.532 4.359 20 0 GIADRO O=C(N[C@@H]1CCCc2sccc21)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460883572 823535766 /nfs/dbraw/zinc/53/57/66/823535766.db2.gz NZWWGJKLJBMZAR-SFHLNBCPSA-N 1 0 395.572 4.289 20 0 GIADRO C[C@@H]([NH2+]C(C)(C)CNC(=O)c1ccc(OC2CCOCC2)cc1)c1ccccc1 ZINC000460878426 823534782 /nfs/dbraw/zinc/53/47/82/823534782.db2.gz HDMKZBWQWYUYAD-GOSISDBHSA-N 1 0 396.531 4.104 20 0 GIADRO CCNC(=O)c1cccc(C[NH2+][C@@H](C)c2sc(-c3cccnc3)nc2C)c1 ZINC000177882999 823540800 /nfs/dbraw/zinc/54/08/00/823540800.db2.gz XFTKTTFMJFBWKA-AWEZNQCLSA-N 1 0 380.517 4.114 20 0 GIADRO Cc1ccc(SCCC(=O)Nc2ccc(CN3CC[NH+](C)CC3)cc2)cc1C ZINC000060547422 823540816 /nfs/dbraw/zinc/54/08/16/823540816.db2.gz PPCKCWSEKFZFBO-UHFFFAOYSA-N 1 0 397.588 4.172 20 0 GIADRO COc1ccc(OCc2ccccn2)c(C[NH2+]C[C@@H](O)c2ccccc2Cl)c1 ZINC000123787751 823540840 /nfs/dbraw/zinc/54/08/40/823540840.db2.gz BXAMSLRTYMHKKX-OAQYLSRUSA-N 1 0 398.890 4.146 20 0 GIADRO C[C@H](Cn1ccnc1)[NH2+][C@H](C)c1ccc(Br)cc1Br ZINC000041650565 821216055 /nfs/dbraw/zinc/21/60/55/821216055.db2.gz XKMQJULOLUFQAU-GHMZBOCLSA-N 1 0 387.119 4.147 20 0 GIADRO O[C@@H](C[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1)c1ccccc1Cl ZINC000123789711 823540931 /nfs/dbraw/zinc/54/09/31/823540931.db2.gz WKGYZKYNTPNWEL-INIZCTEOSA-N 1 0 388.876 4.015 20 0 GIADRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc3[nH]ccc3c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123752456 823537399 /nfs/dbraw/zinc/53/73/99/823537399.db2.gz OAXHJRRTFWKXCW-JXFKEZNVSA-N 1 0 385.870 4.383 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1 ZINC000041785859 821229525 /nfs/dbraw/zinc/22/95/25/821229525.db2.gz XVEQLZRTBUZMLE-UHFFFAOYSA-N 1 0 379.504 4.017 20 0 GIADRO Cc1cc(CSc2ccccc2C(=O)NCC(C)(C)[NH+]2CCCCC2)on1 ZINC000041797978 821231720 /nfs/dbraw/zinc/23/17/20/821231720.db2.gz ACSAJOUHBPUFCU-UHFFFAOYSA-N 1 0 387.549 4.270 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)N1CCc2ccc(Cl)cc21 ZINC000060548577 823541072 /nfs/dbraw/zinc/54/10/72/823541072.db2.gz HZHGNVLKBOMMIM-UHFFFAOYSA-N 1 0 387.886 4.216 20 0 GIADRO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]Cc2cccc(C(N)=O)c2)cc1 ZINC000060523508 823538356 /nfs/dbraw/zinc/53/83/56/823538356.db2.gz PNYRITKYJFCCIQ-UHFFFAOYSA-N 1 0 396.494 4.236 20 0 GIADRO CC[C@H]([NH2+]CCC(=O)Nc1cc(Cl)ccc1Cl)c1c(C)nn(C)c1C ZINC000411512798 823582872 /nfs/dbraw/zinc/58/28/72/823582872.db2.gz BWNXQBGHBDHEGT-HNNXBMFYSA-N 1 0 383.323 4.413 20 0 GIADRO Cc1nn(C)c(Cl)c1C[NH2+]CC1(c2cccc(Br)c2)CCC1 ZINC000060528245 823538743 /nfs/dbraw/zinc/53/87/43/823538743.db2.gz XAFKIIOUSKPTTH-UHFFFAOYSA-N 1 0 382.733 4.356 20 0 GIADRO Cc1ccc([C@@H]([NH2+]CCc2ccccc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000123766456 823538849 /nfs/dbraw/zinc/53/88/49/823538849.db2.gz BROGYARJVHRCDM-HSZRJFAPSA-N 1 0 379.525 4.320 20 0 GIADRO COCc1ccc(C(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000123765731 823538860 /nfs/dbraw/zinc/53/88/60/823538860.db2.gz KGUMSIQVGCKBBP-XLIONFOSSA-N 1 0 390.886 4.048 20 0 GIADRO COc1ccc2c(c1)CCN2C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000060531714 823538925 /nfs/dbraw/zinc/53/89/25/823538925.db2.gz BDYIHCVTJRFDCX-HXUWFJFHSA-N 1 0 399.560 4.302 20 0 GIADRO CCSc1cccc(NC(=O)C(=O)Nc2cccc(C[NH+](CC)CC)c2)c1 ZINC000190118972 823539696 /nfs/dbraw/zinc/53/96/96/823539696.db2.gz TYXJOVIOABOSAS-UHFFFAOYSA-N 1 0 385.533 4.218 20 0 GIADRO CCCCNC(=O)c1ccc(C[NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000177879154 823540161 /nfs/dbraw/zinc/54/01/61/823540161.db2.gz SUEXUFZLLOBPJA-GOSISDBHSA-N 1 0 393.531 4.194 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@H](C)C(=O)NCc2ccc(C)cc2)ccc1OC(C)C ZINC000042182948 821279611 /nfs/dbraw/zinc/27/96/11/821279611.db2.gz NVWYPLDPVCFGLO-ZWKOTPCHSA-N 1 0 384.520 4.146 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(Cl)cc2C)c(OC)c1 ZINC000042184399 821280750 /nfs/dbraw/zinc/28/07/50/821280750.db2.gz BLXBTTJJGZMUGT-KBPBESRZSA-N 1 0 376.884 4.343 20 0 GIADRO COc1ccc(C[NH2+]C[C@H]2COc3ccccc3C2)cc1OCc1cccnc1 ZINC000042186828 821281203 /nfs/dbraw/zinc/28/12/03/821281203.db2.gz GCCWLYVGMYYORE-FQEVSTJZSA-N 1 0 390.483 4.010 20 0 GIADRO CCOc1cc(C[NH2+]Cc2ccc(N(C)C)nc2)ccc1OCc1ccccc1 ZINC000042227491 821287755 /nfs/dbraw/zinc/28/77/55/821287755.db2.gz JNZWVVAAXAZFMG-UHFFFAOYSA-N 1 0 391.515 4.415 20 0 GIADRO Fc1cc(C[NH2+]Cc2cccc(COCc3ccco3)c2)ccc1-n1cncn1 ZINC000042230039 821289092 /nfs/dbraw/zinc/28/90/92/821289092.db2.gz SPJSKUCMJGKQIX-UHFFFAOYSA-N 1 0 392.434 4.006 20 0 GIADRO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)C[N@H+](C)C1CCCC1 ZINC000042541146 821310509 /nfs/dbraw/zinc/31/05/09/821310509.db2.gz FMRFZAWTHZIFAU-SFHVURJKSA-N 1 0 393.531 4.333 20 0 GIADRO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccc4cccnc43)CC2)c2ncccc12 ZINC000042656141 821320525 /nfs/dbraw/zinc/32/05/25/821320525.db2.gz QTOYSCRSKNGZMZ-UHFFFAOYSA-N 1 0 399.454 4.013 20 0 GIADRO CC(C)N(C(=O)C[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1)C(C)C ZINC000042742753 821330064 /nfs/dbraw/zinc/33/00/64/821330064.db2.gz ZSTBKNQJCBNWPX-UHFFFAOYSA-N 1 0 377.916 4.306 20 0 GIADRO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000043036468 821355697 /nfs/dbraw/zinc/35/56/97/821355697.db2.gz HXFLSAYZBGAASY-ZDUSSCGKSA-N 1 0 381.303 4.139 20 0 GIADRO CC(C)c1ccc(-c2noc(CCC(=O)NC[C@H](C)[N@@H+]3CCCC[C@H]3C)n2)cc1 ZINC000043085603 821358789 /nfs/dbraw/zinc/35/87/89/821358789.db2.gz RNBCWKMHYIHXMP-MSOLQXFVSA-N 1 0 398.551 4.172 20 0 GIADRO Cc1nc(COc2cccc(C(=O)NC[C@@H](C)[N@@H+]3CCCC[C@@H]3C)c2)cs1 ZINC000043085345 821358975 /nfs/dbraw/zinc/35/89/75/821358975.db2.gz VDJREAZQSICBAK-JKSUJKDBSA-N 1 0 387.549 4.023 20 0 GIADRO CC(C)[C@H](NC(=O)NCCCC[NH+]1CCC(C)CC1)c1nc2ccccc2[nH]1 ZINC000043105567 821361626 /nfs/dbraw/zinc/36/16/26/821361626.db2.gz GQYQDFUVMJOVEK-FQEVSTJZSA-N 1 0 385.556 4.071 20 0 GIADRO CC(C)[NH+]1CCC(N(C)C(=O)CCc2ncc(-c3ccccc3Cl)o2)CC1 ZINC000043115929 821362883 /nfs/dbraw/zinc/36/28/83/821362883.db2.gz DHTAGLQFJIXOEX-UHFFFAOYSA-N 1 0 389.927 4.259 20 0 GIADRO Cc1ccc(C)c(NC(=O)NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c1 ZINC000043122752 821364421 /nfs/dbraw/zinc/36/44/21/821364421.db2.gz SCROVPBHEZPUMZ-RTBURBONSA-N 1 0 381.520 4.234 20 0 GIADRO CCOc1cc(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)ccc1OC ZINC000043136051 821366724 /nfs/dbraw/zinc/36/67/24/821366724.db2.gz XVJIFJSPUPEDNO-KRWDZBQOSA-N 1 0 387.480 4.036 20 0 GIADRO CC(C)Oc1ccc([C@H](C)NC(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1 ZINC000043143913 821367298 /nfs/dbraw/zinc/36/72/98/821367298.db2.gz ZVJYPIUXLKSCGF-MAUKXSAKSA-N 1 0 375.538 4.198 20 0 GIADRO C[C@H](CNC(=O)Nc1ccccc1C(F)(F)F)[N@@H+]1CCc2ccccc2C1 ZINC000043158401 821370557 /nfs/dbraw/zinc/37/05/57/821370557.db2.gz CIMAMFXBAWKGFA-CQSZACIVSA-N 1 0 377.410 4.274 20 0 GIADRO CCOc1ccc([C@H]2CCCN2C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000043167484 821372306 /nfs/dbraw/zinc/37/23/06/821372306.db2.gz ALWMWXIDTIHLFB-RTWAWAEBSA-N 1 0 397.519 4.362 20 0 GIADRO COc1ccc([C@@H](NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C(C)C)cc1 ZINC000043167497 821372436 /nfs/dbraw/zinc/37/24/36/821372436.db2.gz WONXXNFSTFHERD-FPOVZHCZSA-N 1 0 385.508 4.122 20 0 GIADRO CC(C)n1cnnc1[C@@H]1CCC[N@H+](CCOc2cc(Cl)ccc2Cl)C1 ZINC000180629930 821375019 /nfs/dbraw/zinc/37/50/19/821375019.db2.gz MBRVTXYDOYCLEN-CQSZACIVSA-N 1 0 383.323 4.424 20 0 GIADRO CCC(CC)[C@@H]1C[C@@H](NC(=O)NCc2ccccc2C[N@H+](C)C(C)C)CCO1 ZINC000180631105 821375505 /nfs/dbraw/zinc/37/55/05/821375505.db2.gz SMOVABGXQXXTGO-VXKWHMMOSA-N 1 0 389.584 4.310 20 0 GIADRO O[C@@H](C[C@H]1CCC[N@@H+]1Cc1ccc(Oc2cnccn2)cc1)c1ccc(F)cc1 ZINC000180638421 821378055 /nfs/dbraw/zinc/37/80/55/821378055.db2.gz BNVCURFXAZVELV-IRLDBZIGSA-N 1 0 393.462 4.496 20 0 GIADRO COc1cccc([C@@H](CNC(=O)Nc2ccc(F)c(F)c2F)[NH+]2CCCC2)c1 ZINC000043233617 821378932 /nfs/dbraw/zinc/37/89/32/821378932.db2.gz CKNBHOPJFKWACM-QGZVFWFLSA-N 1 0 393.409 4.071 20 0 GIADRO Cn1ccnc1[C@H](O)[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3F)s2)C1 ZINC000180647778 821381695 /nfs/dbraw/zinc/38/16/95/821381695.db2.gz PYCRWACGLKWKHB-MGPUTAFESA-N 1 0 385.508 4.233 20 0 GIADRO NC(=O)COc1cccc(C[NH2+][C@H](c2cccc(F)c2)c2cccc(Cl)c2)c1 ZINC000180650855 821383182 /nfs/dbraw/zinc/38/31/82/821383182.db2.gz WYEKRHXSJKLMJM-QFIPXVFZSA-N 1 0 398.865 4.222 20 0 GIADRO Cn1ccnc1[C@H](O)[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3Cl)o2)C1 ZINC000180653722 821383568 /nfs/dbraw/zinc/38/35/68/821383568.db2.gz ICLRIGZJRPEQPA-FOIQADDNSA-N 1 0 385.895 4.279 20 0 GIADRO Cn1ccnc1[C@H](O)[C@H]1CCC[N@H+](Cc2ccc(-c3cccc(F)c3)s2)C1 ZINC000180656528 821384944 /nfs/dbraw/zinc/38/49/44/821384944.db2.gz GGJOIDDDTACBJJ-OXJNMPFZSA-N 1 0 385.508 4.233 20 0 GIADRO COC(=O)CC[C@@H]([NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1)c1ccccc1 ZINC000180667422 821388074 /nfs/dbraw/zinc/38/80/74/821388074.db2.gz FTILLXCKGGWWBX-DYESRHJHSA-N 1 0 380.488 4.159 20 0 GIADRO COc1cccc([C@H](CNC(=O)N2CCC[C@@H]2c2cccs2)[NH+]2CCCC2)c1 ZINC000043307070 821389651 /nfs/dbraw/zinc/38/96/51/821389651.db2.gz TWNDMHXFPPAFIB-UXHICEINSA-N 1 0 399.560 4.440 20 0 GIADRO C[C@@H]([NH2+]CC1(c2ccccc2Cl)CCOCC1)c1ccc([S@@](C)=O)cc1 ZINC000180677546 821392353 /nfs/dbraw/zinc/39/23/53/821392353.db2.gz RLAZBVKRGAKKBK-AKJBCIBTSA-N 1 0 391.964 4.476 20 0 GIADRO CCOc1cccc([C@H](C)[NH2+][C@@H](C)C(=O)N(C)Cc2nc3ccccc3s2)c1 ZINC000180680364 821393336 /nfs/dbraw/zinc/39/33/36/821393336.db2.gz TZNZSSJQQHPESP-HOTGVXAUSA-N 1 0 397.544 4.393 20 0 GIADRO CCc1ccc([C@H]([NH2+]CC(C)(C)SC)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000180687090 821395370 /nfs/dbraw/zinc/39/53/70/821395370.db2.gz AZHHMUFQRJMFFH-FQEVSTJZSA-N 1 0 391.602 4.473 20 0 GIADRO C[C@@H]([NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1)c1ccc(N2CCCC2=O)cc1 ZINC000180689217 821396008 /nfs/dbraw/zinc/39/60/08/821396008.db2.gz HZIMAAGMCXBNLH-KUHUBIRLSA-N 1 0 392.421 4.216 20 0 GIADRO C[C@@H](CCN[C@H](c1cnn(C)c1)c1cccc(F)c1)[N@H+](C)Cc1ccccc1 ZINC000180696989 821400565 /nfs/dbraw/zinc/40/05/65/821400565.db2.gz ZJDYPWFBAISBCD-MBSDFSHPSA-N 1 0 380.511 4.149 20 0 GIADRO COc1ccc(CNC(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)cn1 ZINC000043391189 821401064 /nfs/dbraw/zinc/40/10/64/821401064.db2.gz AKQYAIOMKHVUAU-UHFFFAOYSA-N 1 0 382.508 4.176 20 0 GIADRO COc1cc(C)c(NC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)cc1OC ZINC000043404300 821402325 /nfs/dbraw/zinc/40/23/25/821402325.db2.gz NLJAMXCSNPZAOS-UHFFFAOYSA-N 1 0 397.519 4.060 20 0 GIADRO O[C@@]1(C[NH2+][C@H](c2ccccc2)c2ccc(Br)cc2F)CCSC1 ZINC000180703336 821405210 /nfs/dbraw/zinc/40/52/10/821405210.db2.gz JGRHNVPSQJPAPX-QZTJIDSGSA-N 1 0 396.325 4.135 20 0 GIADRO COc1ccc(Oc2ccc(Cl)cc2NC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000043439282 821407457 /nfs/dbraw/zinc/40/74/57/821407457.db2.gz URPURVDJHGIKLB-UHFFFAOYSA-N 1 0 389.883 4.357 20 0 GIADRO Cc1cc(Br)ccc1NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000043448951 821407695 /nfs/dbraw/zinc/40/76/95/821407695.db2.gz HKLATQPPBHIAKF-HNNXBMFYSA-N 1 0 382.327 4.243 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)cc1F ZINC000180708171 821409006 /nfs/dbraw/zinc/40/90/06/821409006.db2.gz ZGFMXXLLBOZNET-LBPRGKRZSA-N 1 0 375.831 4.431 20 0 GIADRO C[C@H]([NH2+]CCc1nc(-c2ccc(Cl)cc2)no1)c1ccc([S@@](C)=O)cc1 ZINC000180707977 821409059 /nfs/dbraw/zinc/40/90/59/821409059.db2.gz KNNDPMMNVGXQGA-WHDAMIPWSA-N 1 0 389.908 4.021 20 0 GIADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N[C@H](C)c2ccccc2)CC1 ZINC000043454892 821410044 /nfs/dbraw/zinc/41/00/44/821410044.db2.gz AKWNXRVUEWYMIR-MRXNPFEDSA-N 1 0 386.927 4.365 20 0 GIADRO O=C(Nc1ccccc1N1CCCC1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000043485481 821413614 /nfs/dbraw/zinc/41/36/14/821413614.db2.gz IHMPEKYJNITLDE-UHFFFAOYSA-N 1 0 378.520 4.027 20 0 GIADRO O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000180716522 821415101 /nfs/dbraw/zinc/41/51/01/821415101.db2.gz ZAKUHZJPFKYRQF-HNAYVOBHSA-N 1 0 395.469 4.284 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@H]1CCSc2ccccc21 ZINC000043489765 821415816 /nfs/dbraw/zinc/41/58/16/821415816.db2.gz ZEIRALWTBHYJFG-FQEVSTJZSA-N 1 0 396.560 4.105 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2Cl)C1=O)c1cnn(Cc2ccccc2)c1 ZINC000180724393 821418875 /nfs/dbraw/zinc/41/88/75/821418875.db2.gz KACLSAMKBMXIFG-OXJNMPFZSA-N 1 0 394.906 4.041 20 0 GIADRO CC[C@H]([NH2+]CC1(N2CCCCC2)CCOCC1)c1ccccc1OC(F)F ZINC000180737252 821425692 /nfs/dbraw/zinc/42/56/92/821425692.db2.gz WJEUFWZIUURVQH-SFHVURJKSA-N 1 0 382.495 4.364 20 0 GIADRO CC[C@H]([NH2+]CC1(N2CCCCC2)CCOCC1)c1ccc(OC(F)F)cc1 ZINC000180739451 821427067 /nfs/dbraw/zinc/42/70/67/821427067.db2.gz BTERCUBNSNWCHY-IBGZPJMESA-N 1 0 382.495 4.364 20 0 GIADRO CC[C@@H]([NH2+]CC1(N2CCCCC2)CCOCC1)c1ccc(OC(F)F)cc1 ZINC000180739467 821427077 /nfs/dbraw/zinc/42/70/77/821427077.db2.gz BTERCUBNSNWCHY-LJQANCHMSA-N 1 0 382.495 4.364 20 0 GIADRO C[C@@H]([NH2+]CC1(N2CCCCC2)CCOCC1)c1ccc(F)c(Br)c1 ZINC000180740482 821428318 /nfs/dbraw/zinc/42/83/18/821428318.db2.gz FDHZGINTGCKTQK-OAHLLOKOSA-N 1 0 399.348 4.274 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)N2CCC(c3ccccc3)CC2)CC1 ZINC000043574330 821428608 /nfs/dbraw/zinc/42/86/08/821428608.db2.gz BLRMZSDLQNSDCH-UHFFFAOYSA-N 1 0 392.547 4.240 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)NCCCSc2ccccc2)CC1 ZINC000043574542 821429328 /nfs/dbraw/zinc/42/93/28/821429328.db2.gz QBYKDCAMPBTBFH-UHFFFAOYSA-N 1 0 398.576 4.132 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)c2ccc(Br)c(O)c2)CC1 ZINC000180756101 821436843 /nfs/dbraw/zinc/43/68/43/821436843.db2.gz NPPRSFBHGQQPIH-UHFFFAOYSA-N 1 0 397.357 4.129 20 0 GIADRO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H](C)C(=O)Nc1ccccc1 ZINC000180761675 821439913 /nfs/dbraw/zinc/43/99/13/821439913.db2.gz QPQWXCPYUNERQR-KBPBESRZSA-N 1 0 393.409 4.039 20 0 GIADRO COc1ccc(C[N@@H+]2CCC[C@@H]2CC(=O)c2ccc(F)cc2)c(OC)c1OC ZINC000180762220 821440630 /nfs/dbraw/zinc/44/06/30/821440630.db2.gz VASBONVZQBTRFK-GOSISDBHSA-N 1 0 387.451 4.089 20 0 GIADRO CCN(CC)C(=O)CCC1CC[NH+](Cc2cn(C)nc2-c2cccs2)CC1 ZINC000180770656 821445204 /nfs/dbraw/zinc/44/52/04/821445204.db2.gz GKGZGTYJJUHNJE-UHFFFAOYSA-N 1 0 388.581 4.009 20 0 GIADRO CCc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3cccc(-c4ccncc4)c3)C2)ncn1 ZINC000180777091 821450527 /nfs/dbraw/zinc/45/05/27/821450527.db2.gz YGQKBPFKSVATDF-MBSDFSHPSA-N 1 0 387.531 4.421 20 0 GIADRO Cn1cc(C[N@@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c(-c2cccs2)n1 ZINC000180799853 821465538 /nfs/dbraw/zinc/46/55/38/821465538.db2.gz HGLOFCZTQQXLIR-AWEZNQCLSA-N 1 0 395.454 4.201 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)c1 ZINC000043840953 821468862 /nfs/dbraw/zinc/46/88/62/821468862.db2.gz JYDMPSQCCCFZAW-FQEVSTJZSA-N 1 0 393.531 4.137 20 0 GIADRO CCOC(=O)CC[C@H]1CCC[N@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000180806575 821469529 /nfs/dbraw/zinc/46/95/29/821469529.db2.gz HBRXXMLBKWTKAO-LJQANCHMSA-N 1 0 382.504 4.216 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccccc1N1CCCC1=O)c1ccccc1 ZINC000043853055 821472818 /nfs/dbraw/zinc/47/28/18/821472818.db2.gz FEHPEVOFCPBRIB-NRFANRHFSA-N 1 0 394.519 4.018 20 0 GIADRO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000180821535 821480677 /nfs/dbraw/zinc/48/06/77/821480677.db2.gz IKYHTFBHJCNLDG-UWVGGRQHSA-N 1 0 391.377 4.198 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(SC(=O)N(C)C)cc1)c1ccc(-n2cccn2)cc1 ZINC000180821996 821480839 /nfs/dbraw/zinc/48/08/39/821480839.db2.gz NHCHKYCJIINGDE-INIZCTEOSA-N 1 0 380.517 4.497 20 0 GIADRO CCS(=O)(=O)C[C@H](C)[NH2+][C@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21 ZINC000180821963 821480924 /nfs/dbraw/zinc/48/09/24/821480924.db2.gz YWLBWJMQXOOVDN-WFASDCNBSA-N 1 0 398.981 4.254 20 0 GIADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)CCCc2ccc3ccccc3c2)[C@H](C)C1 ZINC000180834903 821486473 /nfs/dbraw/zinc/48/64/73/821486473.db2.gz LCRHBRIODCNZTL-HYBUGGRVSA-N 1 0 396.575 4.416 20 0 GIADRO C[C@@H](NC(=O)C[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1)c1ccc(Cl)cc1 ZINC000180836290 821487396 /nfs/dbraw/zinc/48/73/96/821487396.db2.gz AFSHQIFRTQJCSQ-JKSUJKDBSA-N 1 0 382.895 4.054 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1ccccc1OCC(F)(F)F)c1cccs1 ZINC000043959417 821495602 /nfs/dbraw/zinc/49/56/02/821495602.db2.gz SOADERZEGLKXKB-CYBMUJFWSA-N 1 0 387.427 4.114 20 0 GIADRO Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C[N@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000180853712 821496177 /nfs/dbraw/zinc/49/61/77/821496177.db2.gz PCYAZHHVDLUOLB-OLZOCXBDSA-N 1 0 387.833 4.056 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)CCc2ncc(-c3ccccc3Cl)o2)c1 ZINC000043978013 821497466 /nfs/dbraw/zinc/49/74/66/821497466.db2.gz SYUWRXIFXLQHEO-UHFFFAOYSA-N 1 0 397.906 4.306 20 0 GIADRO COc1ccc([C@@H]([NH2+]C2CCOCC2)c2ccccc2)cc1Br ZINC000180859978 821498955 /nfs/dbraw/zinc/49/89/55/821498955.db2.gz CQIOUZYQHYUEOE-IBGZPJMESA-N 1 0 376.294 4.316 20 0 GIADRO COc1ccc([C@H]([NH2+]C2CCOCC2)c2ccccc2)cc1Br ZINC000180859960 821498972 /nfs/dbraw/zinc/49/89/72/821498972.db2.gz CQIOUZYQHYUEOE-LJQANCHMSA-N 1 0 376.294 4.316 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@@H](C)c1nc2ccccc2[nH]1 ZINC000043993595 821499297 /nfs/dbraw/zinc/49/92/97/821499297.db2.gz POVJKBRAMIKEEL-INIZCTEOSA-N 1 0 395.507 4.166 20 0 GIADRO C[C@@H](NC(=O)NCc1ccc(OC(F)(F)F)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180863924 821501027 /nfs/dbraw/zinc/50/10/27/821501027.db2.gz YZWOFTWCOSNARG-ZBFHGGJFSA-N 1 0 399.457 4.037 20 0 GIADRO Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000180863354 821501171 /nfs/dbraw/zinc/50/11/71/821501171.db2.gz JKDYXCVCNUYFQQ-LJQANCHMSA-N 1 0 387.527 4.163 20 0 GIADRO COCCCOc1ccccc1NCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000180878941 821509323 /nfs/dbraw/zinc/50/93/23/821509323.db2.gz JUJJJVOJBCRPRW-UHFFFAOYSA-N 1 0 397.563 4.244 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)cc1C ZINC000044047165 821511128 /nfs/dbraw/zinc/51/11/28/821511128.db2.gz LFJJWNKDZYWKDB-UHFFFAOYSA-N 1 0 394.519 4.002 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1Cl)c1ccc(-c2ccncc2)cc1 ZINC000180883388 821511289 /nfs/dbraw/zinc/51/12/89/821511289.db2.gz KYQIIVJTNNSBNA-OXJNMPFZSA-N 1 0 382.891 4.493 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N[C@@H]1CCOc2ccccc21)c1ccc(-c2ccncc2)cc1 ZINC000180884950 821513119 /nfs/dbraw/zinc/51/31/19/821513119.db2.gz DXTNZLCZIHFOQJ-VGOFRKELSA-N 1 0 387.483 4.039 20 0 GIADRO COc1cccc([C@H](CNC(=S)N[C@H](C)c2ccccc2)[NH+]2CCCC2)c1 ZINC000044056219 821513179 /nfs/dbraw/zinc/51/31/79/821513179.db2.gz GIYUYWYIMUDHKH-UTKZUKDTSA-N 1 0 383.561 4.057 20 0 GIADRO COc1ccccc1[C@@H](CNC(=S)N[C@@H](C)c1ccccc1)[NH+]1CCCC1 ZINC000044055677 821513458 /nfs/dbraw/zinc/51/34/58/821513458.db2.gz HNLHVWIROUFZIL-FXAWDEMLSA-N 1 0 383.561 4.057 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1)C(=O)Nc1ccc(Cl)cn1 ZINC000180886576 821514465 /nfs/dbraw/zinc/51/44/65/821514465.db2.gz RNHNHQVETKLKSN-GJZGRUSLSA-N 1 0 380.879 4.475 20 0 GIADRO COc1cc(C[NH2+]Cc2ccc(OC(C)(C)C)nc2)cc(Br)c1O ZINC000180888715 821516253 /nfs/dbraw/zinc/51/62/53/821516253.db2.gz XKTJEQBZPMUBNM-UHFFFAOYSA-N 1 0 395.297 4.025 20 0 GIADRO CC(=O)Nc1ccc(F)c(NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000044077704 821517381 /nfs/dbraw/zinc/51/73/81/821517381.db2.gz KBZALKULVBCSCT-UHFFFAOYSA-N 1 0 398.482 4.092 20 0 GIADRO CC(C)C(=O)Nc1cccc(NC(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)c1 ZINC000044083473 821519549 /nfs/dbraw/zinc/51/95/49/821519549.db2.gz VRUVGNIOWFLPLB-FQEVSTJZSA-N 1 0 388.556 4.159 20 0 GIADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)Nc1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000044102537 821523249 /nfs/dbraw/zinc/52/32/49/821523249.db2.gz MFQPYFSKWZLHSF-LJQANCHMSA-N 1 0 397.548 4.101 20 0 GIADRO CC(=O)c1cccc(OC[C@H](O)C[NH2+][C@H](C)c2ccc(-c3ccncc3)cc2)c1 ZINC000180899476 821523657 /nfs/dbraw/zinc/52/36/57/821523657.db2.gz YFCCWISVWKPHHX-UZUQRXQVSA-N 1 0 390.483 4.042 20 0 GIADRO CCOc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccc(-c3ccncc3)cc2)cc1 ZINC000180904209 821527116 /nfs/dbraw/zinc/52/71/16/821527116.db2.gz BOEYDMULSIFDOT-AVRDEDQJSA-N 1 0 392.499 4.238 20 0 GIADRO COC(=O)COc1cccc(C[NH2+][C@@H](C)c2ccc(OC)c3ccccc32)c1 ZINC000180909434 821530404 /nfs/dbraw/zinc/53/04/04/821530404.db2.gz WOMCWJMFRQJBMT-INIZCTEOSA-N 1 0 379.456 4.251 20 0 GIADRO COc1ccc([C@@H]([NH2+]CCCNC(=O)c2occc2C)c2ccccc2)cc1 ZINC000180910873 821531704 /nfs/dbraw/zinc/53/17/04/821531704.db2.gz RKWUYEYYJMNJEM-NRFANRHFSA-N 1 0 378.472 4.096 20 0 GIADRO O=C(Nc1ccccc1OCCc1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000044150295 821535679 /nfs/dbraw/zinc/53/56/79/821535679.db2.gz BSSBZKHDUPBMAK-UHFFFAOYSA-N 1 0 379.504 4.056 20 0 GIADRO Cc1c(Cl)cccc1NC(=S)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000044158245 821538148 /nfs/dbraw/zinc/53/81/48/821538148.db2.gz BZPOEMWMXMLGBU-UHFFFAOYSA-N 1 0 386.952 4.281 20 0 GIADRO C[N@@H+]1CCCN(c2ccc(NC(=S)Nc3ccc(F)c(Cl)c3)cc2)CC1 ZINC000044229763 821551748 /nfs/dbraw/zinc/55/17/48/821551748.db2.gz AUAMAOWSZXZXAA-UHFFFAOYSA-N 1 0 392.931 4.430 20 0 GIADRO CC(C)(C)n1cc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cn1 ZINC000180952604 821553680 /nfs/dbraw/zinc/55/36/80/821553680.db2.gz NLLOZMJQXDTRSB-PZJWPPBQSA-N 1 0 395.551 4.157 20 0 GIADRO C[C@H]([NH2+]CC(=O)N(C)Cc1ccccc1F)c1ccc(OCC(F)(F)F)cc1 ZINC000180963595 821559321 /nfs/dbraw/zinc/55/93/21/821559321.db2.gz FEDGRHLDQUKKIR-AWEZNQCLSA-N 1 0 398.400 4.076 20 0 GIADRO CCOc1ccc([C@H](C)NC(=O)Nc2cccc(C[NH+](C)C)c2)cc1OCC ZINC000044293220 821561029 /nfs/dbraw/zinc/56/10/29/821561029.db2.gz MFMFOZKSBFFLRX-INIZCTEOSA-N 1 0 385.508 4.428 20 0 GIADRO CCC[C@H]([NH2+]C1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1)c1ccccc1 ZINC000180969622 821563231 /nfs/dbraw/zinc/56/32/31/821563231.db2.gz SISWDAWDZZFARV-NRFANRHFSA-N 1 0 396.531 4.439 20 0 GIADRO COc1ccc(C(=O)N2CCC([NH2+]C(CC(C)C)CC(C)C)CC2)cc1OC ZINC000180970263 821563913 /nfs/dbraw/zinc/56/39/13/821563913.db2.gz AZAUDKPKDZVFHP-UHFFFAOYSA-N 1 0 390.568 4.359 20 0 GIADRO COc1ccc(C(=O)N2CCC([NH2+][C@@H](C)c3ccc(C)s3)CC2)cc1OC ZINC000180970995 821564477 /nfs/dbraw/zinc/56/44/77/821564477.db2.gz XAPBROHHYFDARD-HNNXBMFYSA-N 1 0 388.533 4.029 20 0 GIADRO COc1cc(C[NH2+][C@H]2CCCOc3cc(Cl)ccc32)cc2c1OCCO2 ZINC000180972155 821565009 /nfs/dbraw/zinc/56/50/09/821565009.db2.gz HWLZUPQTWDLUJF-INIZCTEOSA-N 1 0 375.852 4.123 20 0 GIADRO COc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2ccccc2OC2CCC2)c(OC)c1 ZINC000180973059 821566224 /nfs/dbraw/zinc/56/62/24/821566224.db2.gz SIPPQTKWKZGXHQ-MRXNPFEDSA-N 1 0 398.503 4.142 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(Oc2ccccc2)nc1 ZINC000044466219 821587774 /nfs/dbraw/zinc/58/77/74/821587774.db2.gz YVBVNVHFMYRTHS-UHFFFAOYSA-N 1 0 387.483 4.268 20 0 GIADRO CN(C)S(=O)(=O)c1ccc(C[NH2+][C@H](c2cccc(F)c2)C2CCCC2)cc1 ZINC000181006732 821589244 /nfs/dbraw/zinc/58/92/44/821589244.db2.gz ZKJGQEWPTASGSK-NRFANRHFSA-N 1 0 390.524 4.097 20 0 GIADRO Cn1c(CCC[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)nc2ccccc21 ZINC000181020761 821597121 /nfs/dbraw/zinc/59/71/21/821597121.db2.gz WDISRJGRMNJCOM-UHFFFAOYSA-N 1 0 396.966 4.414 20 0 GIADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)CCc2ccc(Cl)s2)CC1 ZINC000044507178 821597058 /nfs/dbraw/zinc/59/70/58/821597058.db2.gz IBQUCNCOIAVNPB-UHFFFAOYSA-N 1 0 376.953 4.377 20 0 GIADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000044507324 821597107 /nfs/dbraw/zinc/59/71/07/821597107.db2.gz BJEBLYKAAMNOGV-HKUYNNGSSA-N 1 0 382.470 4.398 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)N[C@@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000181024468 821599596 /nfs/dbraw/zinc/59/95/96/821599596.db2.gz JTLYYDMCRPUHRF-GOSISDBHSA-N 1 0 379.932 4.070 20 0 GIADRO O=C(N[C@H]1CCCOc2cc(Cl)ccc21)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000181028217 821601410 /nfs/dbraw/zinc/60/14/10/821601410.db2.gz LJDUEMNDNKXKAY-MJGOQNOKSA-N 1 0 391.943 4.214 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1cc(-c2cccnc2)on1 ZINC000044552641 821607784 /nfs/dbraw/zinc/60/77/84/821607784.db2.gz WIZVSZIVDZRUGQ-QGZVFWFLSA-N 1 0 390.487 4.041 20 0 GIADRO COc1cccc(OCCC[NH2+][C@H](C)c2ccc(NC(=O)NC3CC3)cc2)c1 ZINC000181053139 821612070 /nfs/dbraw/zinc/61/20/70/821612070.db2.gz LVIAZANFQPAJPN-MRXNPFEDSA-N 1 0 383.492 4.099 20 0 GIADRO C[N@H+](CCCn1ccnc1)Cc1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC000181055327 821612765 /nfs/dbraw/zinc/61/27/65/821612765.db2.gz PQNXXWTUBFDIJD-UHFFFAOYSA-N 1 0 393.922 4.457 20 0 GIADRO CCOc1cc(C[NH2+]CC2(OC)CCC2)cc(Br)c1OC(F)F ZINC000181085680 821625258 /nfs/dbraw/zinc/62/52/58/821625258.db2.gz GMEWFMWXILGGBI-UHFFFAOYSA-N 1 0 394.256 4.108 20 0 GIADRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC000181089288 821627233 /nfs/dbraw/zinc/62/72/33/821627233.db2.gz DFKCZNMWUMKZHX-UHFFFAOYSA-N 1 0 399.445 4.070 20 0 GIADRO COc1cccc2[nH]cc(CC[NH2+]C3CCC(NC(=O)OC(C)(C)C)CC3)c21 ZINC000181089161 821627257 /nfs/dbraw/zinc/62/72/57/821627257.db2.gz XWRWAIFLTJEIBB-UHFFFAOYSA-N 1 0 387.524 4.145 20 0 GIADRO C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@@H](O)c1c(Cl)cccc1Cl ZINC000181105806 821635039 /nfs/dbraw/zinc/63/50/39/821635039.db2.gz XOJRCEBOQVOOMN-SUMWQHHRSA-N 1 0 381.303 4.058 20 0 GIADRO COc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H](O)c1c(Cl)cccc1Cl ZINC000181107323 821636588 /nfs/dbraw/zinc/63/65/88/821636588.db2.gz ANJLOHYUONPIOE-WBMJQRKESA-N 1 0 397.302 4.042 20 0 GIADRO C[C@H]([NH2+]C1CCC(S(C)(=O)=O)CC1)c1ccc(OCc2ccccc2)cc1 ZINC000181114297 821640682 /nfs/dbraw/zinc/64/06/82/821640682.db2.gz XWYBDKJXHXHSQF-RYHLMMNBSA-N 1 0 387.545 4.272 20 0 GIADRO Cc1ccc2[nH]c3c(c2c1)C[C@@H](Nc1ccccc1C[NH+]1CCC(O)CC1)CC3 ZINC000181114737 821641525 /nfs/dbraw/zinc/64/15/25/821641525.db2.gz VFOOLDLRKVQPMK-IBGZPJMESA-N 1 0 389.543 4.402 20 0 GIADRO Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+]C1CCC(S(C)(=O)=O)CC1 ZINC000181117643 821642841 /nfs/dbraw/zinc/64/28/41/821642841.db2.gz NSOQNXXYEBELHV-LRVUVFPRSA-N 1 0 396.553 4.264 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]CC(=O)N(C)CC(F)(F)F ZINC000181139455 821658360 /nfs/dbraw/zinc/65/83/60/821658360.db2.gz XMVSXEFOYHHXAC-GFCCVEGCSA-N 1 0 385.455 4.098 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+][C@@H]1CCN(c2ccc(C)cc2)C1=O ZINC000181144908 821662411 /nfs/dbraw/zinc/66/24/11/821662411.db2.gz DOACUGWGPVFPGV-DNVCBOLYSA-N 1 0 392.528 4.278 20 0 GIADRO CC[C@H](C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(OC)cc1 ZINC000181147771 821663436 /nfs/dbraw/zinc/66/34/36/821663436.db2.gz QTPGUCYWABRKAB-REWPJTCUSA-N 1 0 380.532 4.169 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(OC(F)F)cc1)C(=O)NCc1ccccc1Cl ZINC000044803116 821665289 /nfs/dbraw/zinc/66/52/89/821665289.db2.gz PQJWDOQPVYNAJP-QWHCGFSZSA-N 1 0 382.838 4.297 20 0 GIADRO Cc1cc(C)cc(OCC(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000044878878 821676355 /nfs/dbraw/zinc/67/63/55/821676355.db2.gz KNTKJFZVWAZCNI-SFHVURJKSA-N 1 0 380.532 4.231 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+][C@H]1C[C@H](C)N(c2ccccc2)C1=O ZINC000181171927 821677184 /nfs/dbraw/zinc/67/71/84/821677184.db2.gz AHVPKTBJCFLNDW-DOXZYTNZSA-N 1 0 392.528 4.358 20 0 GIADRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@H](C)Oc1cccc(Cl)c1 ZINC000181173631 821678449 /nfs/dbraw/zinc/67/84/49/821678449.db2.gz DJFIRPPJSAYNTH-STQMWFEESA-N 1 0 382.291 4.163 20 0 GIADRO C[C@H](C[NH2+][C@@H](C)CC(=O)Nc1cccnc1Cl)Oc1ccccc1Cl ZINC000181181652 821681658 /nfs/dbraw/zinc/68/16/58/821681658.db2.gz YFYJSHDRMBSNBI-QWHCGFSZSA-N 1 0 382.291 4.163 20 0 GIADRO COc1cc(N[C@H]2CCC[N@@H+]([C@H](C)c3nc4ccccc4o3)C2)cc(OC)c1 ZINC000181183480 821682843 /nfs/dbraw/zinc/68/28/43/821682843.db2.gz NBUOIJNJHYNSNB-CVEARBPZSA-N 1 0 381.476 4.483 20 0 GIADRO Cc1cc(Br)ccc1C[N@H+]1CCC[C@@H](c2nncn2C(C)C)C1 ZINC000181183912 821683654 /nfs/dbraw/zinc/68/36/54/821683654.db2.gz TWOBGPXUNFSYFL-MRXNPFEDSA-N 1 0 377.330 4.310 20 0 GIADRO CCOCCO[C@H]1CC[N@H+](Cc2cc(-c3c(OC)ccc4ccccc43)no2)C1 ZINC000181187288 821685026 /nfs/dbraw/zinc/68/50/26/821685026.db2.gz YCTJEYNIWMHYHJ-SFHVURJKSA-N 1 0 396.487 4.131 20 0 GIADRO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000181188385 821685374 /nfs/dbraw/zinc/68/53/74/821685374.db2.gz OTOAGERVZNYYTJ-KGVIQGDOSA-N 1 0 384.495 4.103 20 0 GIADRO CCN(CC)[C@H](C[NH2+][C@H](C)c1cnc2cc(C)nn2c1C)c1cccc(OC)c1 ZINC000181192271 821687702 /nfs/dbraw/zinc/68/77/02/821687702.db2.gz FKWNEDQFGNHIRH-VGOFRKELSA-N 1 0 395.551 4.088 20 0 GIADRO COc1ccc([C@H](C)[NH2+]C[C@H](OC)c2cccc(Cl)c2)cc1NC(C)=O ZINC000181196584 821690467 /nfs/dbraw/zinc/69/04/67/821690467.db2.gz PIGSQDRTNJBVGQ-RBZFPXEDSA-N 1 0 376.884 4.345 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H](OC)c2cccc(Cl)c2)cc1 ZINC000181195773 821690607 /nfs/dbraw/zinc/69/06/07/821690607.db2.gz LURHEWRDBCJWLP-AUUYWEPGSA-N 1 0 396.940 4.140 20 0 GIADRO CCC1(CO)CC[NH+](Cc2cc(-c3c(OC)ccc4ccccc43)no2)CC1 ZINC000181209199 821698364 /nfs/dbraw/zinc/69/83/64/821698364.db2.gz JVNIUPQRMBTUGS-UHFFFAOYSA-N 1 0 380.488 4.488 20 0 GIADRO COC(=O)c1oc([C@H](C)[NH+]2CCC(OCc3ccccc3OC)CC2)cc1C ZINC000181210721 821699158 /nfs/dbraw/zinc/69/91/58/821699158.db2.gz CBWRGIPRDPTOEM-INIZCTEOSA-N 1 0 387.476 4.125 20 0 GIADRO CCC[C@H](NC(=O)C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)c1ccccc1 ZINC000181226979 821706673 /nfs/dbraw/zinc/70/66/73/821706673.db2.gz KBTCYEWLGKARBR-AJSBUHFISA-N 1 0 380.532 4.402 20 0 GIADRO C[C@H]([NH2+]CC1(CS(C)(=O)=O)CC1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000181228014 821707423 /nfs/dbraw/zinc/70/74/23/821707423.db2.gz FNULOJVMILSAQK-HNNXBMFYSA-N 1 0 377.481 4.093 20 0 GIADRO Cc1ccc(-c2nc3c(s2)[C@@H]([NH2+]CCCNC(=O)C2CCC2)CCC3)cc1 ZINC000181232898 821709472 /nfs/dbraw/zinc/70/94/72/821709472.db2.gz NSXGIYPHRKSKHZ-SFHVURJKSA-N 1 0 383.561 4.392 20 0 GIADRO C[C@H]([NH2+]CCc1ccccc1OC(F)(F)F)c1ccc(N2CCOC2=O)cc1 ZINC000181280840 821732361 /nfs/dbraw/zinc/73/23/61/821732361.db2.gz YAFOBRGSECEUCQ-AWEZNQCLSA-N 1 0 394.393 4.435 20 0 GIADRO COc1cccc([C@@H]2[C@@H]([NH2+][C@H]3CCCc4nc(C)sc43)CCN2C2CC2)c1 ZINC000181282226 821733683 /nfs/dbraw/zinc/73/36/83/821733683.db2.gz HAJMUMUZDWYTMR-SESVDKBCSA-N 1 0 383.561 4.405 20 0 GIADRO CCC[C@H]([NH2+][C@@H]1CCc2nc(COC)nn2C1)c1ccc(Cl)c(Cl)c1 ZINC000181295458 821740774 /nfs/dbraw/zinc/74/07/74/821740774.db2.gz YDWQHRBJTKBZBX-CJNGLKHVSA-N 1 0 383.323 4.177 20 0 GIADRO COc1cc2c(cc1NC(=O)C[NH2+][C@@H](C)c1cccnc1)oc1ccccc12 ZINC000181300616 821743256 /nfs/dbraw/zinc/74/32/56/821743256.db2.gz YRNGZFVLBDPRNQ-AWEZNQCLSA-N 1 0 375.428 4.279 20 0 GIADRO C[C@H]([NH2+]CC(=O)N(C)Cc1ccccc1F)c1ccc(-c2cccnc2)cc1 ZINC000181306010 821745810 /nfs/dbraw/zinc/74/58/10/821745810.db2.gz HNOOTJKHXDEVLK-KRWDZBQOSA-N 1 0 377.463 4.197 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1nnc(C(C)(C)C)s1)c1ccc(-c2cccnc2)cc1 ZINC000181305384 821746077 /nfs/dbraw/zinc/74/60/77/821746077.db2.gz NHLCCUYNIGVHKW-CQSZACIVSA-N 1 0 395.532 4.187 20 0 GIADRO COc1ccc(OC)c([C@@H](C)[NH2+][C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)c1 ZINC000181308939 821747709 /nfs/dbraw/zinc/74/77/09/821747709.db2.gz UWAKFYZDZYRQNJ-NEPJUHHUSA-N 1 0 385.430 4.491 20 0 GIADRO C[C@H](Cc1ccccc1Br)[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000181308417 821747852 /nfs/dbraw/zinc/74/78/52/821747852.db2.gz OKUGNOGRZKIUKW-ZIAGYGMSSA-N 1 0 396.350 4.134 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)NCCc1ccc(F)cc1)c1ccc(-c2cccnc2)cc1 ZINC000181313504 821752736 /nfs/dbraw/zinc/75/27/36/821752736.db2.gz ZEOGUAURXSNWQQ-MSOLQXFVSA-N 1 0 391.490 4.286 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@H](C)c2c(C)nn(CC(F)(F)F)c2C)cc1OC ZINC000181316216 821754084 /nfs/dbraw/zinc/75/40/84/821754084.db2.gz NVGUBGKNPRXTMC-VXGBXAGGSA-N 1 0 385.430 4.491 20 0 GIADRO O=C1Nc2ccccc2C12CCC([NH2+][C@@H]1CCCOc3c(F)cccc31)CC2 ZINC000181321813 821758197 /nfs/dbraw/zinc/75/81/97/821758197.db2.gz ZZPSJPDFZSQYSY-HVWVKJRRSA-N 1 0 380.463 4.462 20 0 GIADRO CCc1ccc2c(C[NH2+][C@@H](C)c3cccc(N4CCOC4=O)c3)cc(=O)oc2c1 ZINC000181324064 821758999 /nfs/dbraw/zinc/75/89/99/821758999.db2.gz OYXCTPXXAGRNSA-HNNXBMFYSA-N 1 0 392.455 4.163 20 0 GIADRO COc1cc(OC)cc(OCC[NH2+][C@@H](C)c2sc(-c3cccnc3)nc2C)c1 ZINC000181347599 821777702 /nfs/dbraw/zinc/77/77/02/821777702.db2.gz MGRJCIIPEHZKKW-AWEZNQCLSA-N 1 0 399.516 4.260 20 0 GIADRO Cc1ccc(C)c(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)c1 ZINC000181361146 821787330 /nfs/dbraw/zinc/78/73/30/821787330.db2.gz ZETQJLPELMWVHD-MSOLQXFVSA-N 1 0 379.504 4.108 20 0 GIADRO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000181361553 821787954 /nfs/dbraw/zinc/78/79/54/821787954.db2.gz GHXJKXCVICIIGL-FHWLQOOXSA-N 1 0 393.531 4.038 20 0 GIADRO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]Cc1nc(C2CC2)cs1 ZINC000181365635 821790499 /nfs/dbraw/zinc/79/04/99/821790499.db2.gz CVWWZCNVDZLADZ-CYBMUJFWSA-N 1 0 377.941 4.201 20 0 GIADRO CSc1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)c1 ZINC000181367562 821791134 /nfs/dbraw/zinc/79/11/34/821791134.db2.gz IMWGXELVSKXOSL-HOTGVXAUSA-N 1 0 397.544 4.213 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+][C@H](c2ccc3c(c2)OCCO3)C(C)C)s1 ZINC000181371947 821793062 /nfs/dbraw/zinc/79/30/62/821793062.db2.gz TYGVTAZMRXXSRI-QRWLVFNGSA-N 1 0 390.549 4.460 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)s1 ZINC000181375403 821794396 /nfs/dbraw/zinc/79/43/96/821794396.db2.gz OBJUGCPFKZNQNK-KGLIPLIRSA-N 1 0 387.549 4.401 20 0 GIADRO CCOC(=O)C1CCC([NH2+]Cc2ccc(NC(=O)c3ccc(F)cc3)cc2)CC1 ZINC000181382831 821797613 /nfs/dbraw/zinc/79/76/13/821797613.db2.gz TXJSJZWONHNMNU-UHFFFAOYSA-N 1 0 398.478 4.290 20 0 GIADRO CCn1c2cccc(F)c2nc1C[NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000181391292 821802005 /nfs/dbraw/zinc/80/20/05/821802005.db2.gz GGENXMAPVXEXFY-OAHLLOKOSA-N 1 0 380.467 4.173 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+]Cc2ccc(Br)s2)s1 ZINC000181393250 821803185 /nfs/dbraw/zinc/80/31/85/821803185.db2.gz YSNSPBMAUFRMCH-VIFPVBQESA-N 1 0 375.357 4.315 20 0 GIADRO C[C@H]([NH2+][C@H](CO)c1cccc(Br)c1)c1ccc(-n2ccnc2)cc1 ZINC000181394866 821805472 /nfs/dbraw/zinc/80/54/72/821805472.db2.gz IMDOYBBAYFFRSZ-IFXJQAMLSA-N 1 0 386.293 4.019 20 0 GIADRO Cc1ccc(NC(=O)C[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)c(Cl)c1 ZINC000181396082 821805994 /nfs/dbraw/zinc/80/59/94/821805994.db2.gz DVQXHKKWFGWHIH-OAHLLOKOSA-N 1 0 385.895 4.065 20 0 GIADRO O=C(Nc1ccc(OCc2ccccc2)cc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000181399748 821806760 /nfs/dbraw/zinc/80/67/60/821806760.db2.gz NUKFSGUNRRZYOS-HXUWFJFHSA-N 1 0 379.504 4.215 20 0 GIADRO Cc1ccc(CCN(Cc2nnc(C3CC3)n2C2CC2)C[C@H]2CCCO2)cc1 ZINC000181402166 821808278 /nfs/dbraw/zinc/80/82/78/821808278.db2.gz SNUJEPNCNJDLRR-OAQYLSRUSA-N 1 0 380.536 4.023 20 0 GIADRO C[C@H]([NH2+]C[C@H](CO)Cc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)nc1 ZINC000181407952 821809646 /nfs/dbraw/zinc/80/96/46/821809646.db2.gz RZTMFQYOVMHROI-GXTWGEPZSA-N 1 0 388.817 4.135 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)Nc1ccc(F)cc1OCC(F)F ZINC000181415359 821813709 /nfs/dbraw/zinc/81/37/09/821813709.db2.gz POOYMMAPYYIWGT-OAHLLOKOSA-N 1 0 397.397 4.021 20 0 GIADRO Cc1ccc(C)c(NC(=O)[C@H](C)[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)c1 ZINC000181416929 821814413 /nfs/dbraw/zinc/81/44/13/821814413.db2.gz NQTMJWFSBPVVNN-MSOLQXFVSA-N 1 0 379.504 4.108 20 0 GIADRO Nc1nc(C[N@@H+]2CCCCC[C@H]2C[C@@H](O)c2ccccc2)nc2ccccc12 ZINC000181421380 821817347 /nfs/dbraw/zinc/81/73/47/821817347.db2.gz VESWJLMPMDRIFV-GHTZIAJQSA-N 1 0 376.504 4.080 20 0 GIADRO Nc1nc(C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2ccccc2)nc2ccccc12 ZINC000181421430 821817839 /nfs/dbraw/zinc/81/78/39/821817839.db2.gz VESWJLMPMDRIFV-NQIIRXRSSA-N 1 0 376.504 4.080 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)s1 ZINC000181423563 821819390 /nfs/dbraw/zinc/81/93/90/821819390.db2.gz QDNUJLPWBHRTCW-JEYLPNPQSA-N 1 0 397.585 4.127 20 0 GIADRO COc1cccc2cc([C@H](C)[NH2+]C[C@H](c3ccc(C)o3)N3CCOCC3)oc21 ZINC000181424208 821819747 /nfs/dbraw/zinc/81/97/47/821819747.db2.gz NPIOWRXIMOQOBA-FUHWJXTLSA-N 1 0 384.476 4.067 20 0 GIADRO COc1ccccc1[C@@H](NC1CC[NH+](Cc2ccncc2)CC1)c1ccco1 ZINC000181433917 821824967 /nfs/dbraw/zinc/82/49/67/821824967.db2.gz GPHXHTWLAHAUNI-HSZRJFAPSA-N 1 0 377.488 4.027 20 0 GIADRO Cc1c(Cl)cccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181438406 821827035 /nfs/dbraw/zinc/82/70/35/821827035.db2.gz WKJMVYWPHGGLSL-JKSUJKDBSA-N 1 0 399.922 4.453 20 0 GIADRO COC[C@@H](NCc1cn2cc(Cl)cc(Cl)c2n1)c1ccc(F)c(F)c1 ZINC000181440812 821827865 /nfs/dbraw/zinc/82/78/65/821827865.db2.gz VEQWTPUMANJUSQ-MRXNPFEDSA-N 1 0 386.229 4.397 20 0 GIADRO C[C@@H](NC(=O)[C@@H](C)[N@H+](C)CCc1ccncc1)c1ccc(Cl)cc1Cl ZINC000181451956 821831836 /nfs/dbraw/zinc/83/18/36/821831836.db2.gz RBTQTTYBIIHDAG-ZIAGYGMSSA-N 1 0 380.319 4.129 20 0 GIADRO Cc1ccccc1[C@H](C)[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000181459415 821835873 /nfs/dbraw/zinc/83/58/73/821835873.db2.gz QFBCWONAUQTZRY-INIZCTEOSA-N 1 0 389.337 4.445 20 0 GIADRO CC(C)c1nn(C)c2sc(C(=O)N[C@@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)cc12 ZINC000181462828 821837760 /nfs/dbraw/zinc/83/77/60/821837760.db2.gz RJJLWZBITPDPNX-LSDHHAIUSA-N 1 0 388.581 4.141 20 0 GIADRO COc1ccc2ccccc2c1-c1cc(C[N@H+](C)C[C@H]2CCCC[C@@H]2O)on1 ZINC000181468156 821839758 /nfs/dbraw/zinc/83/97/58/821839758.db2.gz DGHAUEIZRIUKIT-UTKZUKDTSA-N 1 0 380.488 4.486 20 0 GIADRO C[C@H](NC(=O)CCCOc1ccc(Cl)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181486196 821847659 /nfs/dbraw/zinc/84/76/59/821847659.db2.gz DARBMSUMBNWQOX-DLBZAZTESA-N 1 0 378.944 4.268 20 0 GIADRO Cc1ccc(Br)c(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000181505677 821857790 /nfs/dbraw/zinc/85/77/90/821857790.db2.gz FEKGOLIADTVMIQ-GJZGRUSLSA-N 1 0 379.342 4.140 20 0 GIADRO C[C@H](CC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(=O)c1ccc(Cl)cc1 ZINC000181507073 821858531 /nfs/dbraw/zinc/85/85/31/821858531.db2.gz JNLZMLQJRMATQW-JFIYKMOQSA-N 1 0 390.955 4.318 20 0 GIADRO OCC[C@H]([NH2+]Cc1csc(COc2ccc(F)cc2)n1)C1CCCCC1 ZINC000181508142 821858927 /nfs/dbraw/zinc/85/89/27/821858927.db2.gz SNZVSKNOBYPJJA-IBGZPJMESA-N 1 0 378.513 4.282 20 0 GIADRO COc1ccc([C@@H]2CCCCCN2C(=O)C[NH2+][C@H](C)c2cccc(O)c2)cc1 ZINC000181507931 821859022 /nfs/dbraw/zinc/85/90/22/821859022.db2.gz MBNQXUFSJAZEFN-VGSWGCGISA-N 1 0 382.504 4.195 20 0 GIADRO CCOc1ccccc1OCCCC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181508282 821859252 /nfs/dbraw/zinc/85/92/52/821859252.db2.gz ZJSLQXADZWCYCI-RTBURBONSA-N 1 0 388.552 4.014 20 0 GIADRO COc1cccc2cc([C@H](C)[NH2+]Cc3ccc(N4C[C@H](C)O[C@@H](C)C4)nc3)oc21 ZINC000181509854 821859828 /nfs/dbraw/zinc/85/98/28/821859828.db2.gz PJQXIVJQRIQLCN-ULQDDVLXSA-N 1 0 395.503 4.301 20 0 GIADRO CC(C)[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc(C(F)(F)F)cc1 ZINC000181511139 821860765 /nfs/dbraw/zinc/86/07/65/821860765.db2.gz RTIHUFOTGZWSKG-KGLIPLIRSA-N 1 0 382.348 4.155 20 0 GIADRO CCOC(=O)c1oc2ccccc2c1C[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000181516806 821863201 /nfs/dbraw/zinc/86/32/01/821863201.db2.gz HPBKNLCFLOOPTG-OAHLLOKOSA-N 1 0 390.443 4.041 20 0 GIADRO CC(C)(COc1ncccc1Br)[NH2+]Cc1nc2cc(F)ccc2o1 ZINC000181517805 821863385 /nfs/dbraw/zinc/86/33/85/821863385.db2.gz IWAZZMJBOGHINO-UHFFFAOYSA-N 1 0 394.244 4.072 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@@H]2CCCN(CC(F)(F)F)C2=O)c2ccccc12 ZINC000181526072 821866747 /nfs/dbraw/zinc/86/67/47/821866747.db2.gz QLMCBTXKMDAZKT-SUMWQHHRSA-N 1 0 380.410 4.052 20 0 GIADRO Cc1cc(C)n(-c2ccc(C(=O)N[C@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)cc2F)n1 ZINC000181530105 821868144 /nfs/dbraw/zinc/86/81/44/821868144.db2.gz ABTXQAVBPKWBGM-MJGOQNOKSA-N 1 0 398.526 4.011 20 0 GIADRO CCOc1cccc2cc([C@H](C)[NH2+]Cc3cccc(OCC(=O)N(C)C)c3)oc21 ZINC000181530867 821868662 /nfs/dbraw/zinc/86/86/62/821868662.db2.gz DJESZQIYEUQLMO-INIZCTEOSA-N 1 0 396.487 4.149 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@H](C)Cc2cc(C)nn2-c2ccccc2)cc1OC ZINC000181530204 821868730 /nfs/dbraw/zinc/86/87/30/821868730.db2.gz NWEYYQOJMCINEP-AEFFLSMTSA-N 1 0 379.504 4.480 20 0 GIADRO COC[C@H](Cc1ccccc1)[NH2+][C@H](C)[C@H](OC1CCOCC1)c1ccccc1 ZINC000181536625 821871858 /nfs/dbraw/zinc/87/18/58/821871858.db2.gz LDHBNVPONQMPHP-UCFCWBNQSA-N 1 0 383.532 4.159 20 0 GIADRO Cc1c([C@@H](C)[NH2+]CCc2nnc(-c3ccccc3)o2)cnn1-c1ccc(F)cc1 ZINC000181559228 821880585 /nfs/dbraw/zinc/88/05/85/821880585.db2.gz JNLALAXJFQXONQ-OAHLLOKOSA-N 1 0 391.450 4.263 20 0 GIADRO COc1cc([C@H](C)[NH2+]Cc2cccc(-c3ccccn3)c2)ccc1S(C)(=O)=O ZINC000181569257 821883501 /nfs/dbraw/zinc/88/35/01/821883501.db2.gz RLEAZUZTGSEQGG-INIZCTEOSA-N 1 0 396.512 4.012 20 0 GIADRO C[C@@H](NC(=O)C[NH2+][C@@H](C)c1ccc(OCC2CC2)c(F)c1)c1cccs1 ZINC000181575270 821886052 /nfs/dbraw/zinc/88/60/52/821886052.db2.gz IXJRSYXCDRQWDP-UONOGXRCSA-N 1 0 376.497 4.204 20 0 GIADRO C[C@H]([NH2+]Cc1cc(=O)oc2cc(O)ccc12)c1ccc(OCC2CC2)c(F)c1 ZINC000181580091 821887916 /nfs/dbraw/zinc/88/79/16/821887916.db2.gz JFLDTJBUFGAMGU-ZDUSSCGKSA-N 1 0 383.419 4.277 20 0 GIADRO COc1cccc2cc([C@@H](C)[NH2+]C3CCN(C(=O)c4ccccc4)CC3)oc21 ZINC000181598159 821897054 /nfs/dbraw/zinc/89/70/54/821897054.db2.gz YQVOUYNXRKTWKD-MRXNPFEDSA-N 1 0 378.472 4.397 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(COC2CCOCC2)cc1)c1ccc2c(c1)OCCCO2 ZINC000181608846 821900847 /nfs/dbraw/zinc/90/08/47/821900847.db2.gz SJSBHUFFCDNQOS-SFHVURJKSA-N 1 0 397.515 4.394 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2ccc(COC3CCOCC3)cc2)c1 ZINC000181610546 821902425 /nfs/dbraw/zinc/90/24/25/821902425.db2.gz VKKLNLGHUPTJRD-KRWDZBQOSA-N 1 0 382.504 4.191 20 0 GIADRO CCCc1nc(CN[C@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)cs1 ZINC000181626634 821910723 /nfs/dbraw/zinc/91/07/23/821910723.db2.gz ZPLBALUDSLXBJZ-MRXNPFEDSA-N 1 0 390.572 4.227 20 0 GIADRO C[C@@H](NC(=O)c1cc(Cl)ccc1OC(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181635302 821915307 /nfs/dbraw/zinc/91/53/07/821915307.db2.gz QAHIQHLRKFCIKM-OLZOCXBDSA-N 1 0 386.870 4.324 20 0 GIADRO Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000181636911 821916447 /nfs/dbraw/zinc/91/64/47/821916447.db2.gz GVXRETCBBKQWDL-GOSISDBHSA-N 1 0 390.528 4.146 20 0 GIADRO CC(C)[C@@H]([NH2+]CC(=O)N1CCC[C@H](C(F)(F)F)C1)c1ccc(F)cc1F ZINC000181650151 821923035 /nfs/dbraw/zinc/92/30/35/821923035.db2.gz HAVFVUVWWYPNLQ-YVEFUNNKSA-N 1 0 378.385 4.052 20 0 GIADRO CCOc1ccc([C@@H]([NH2+]C2CCN(C(C)=O)CC2)c2cccc(Cl)c2)cc1 ZINC000181651200 821923559 /nfs/dbraw/zinc/92/35/59/821923559.db2.gz KZKUVOOZAHJTQD-JOCHJYFZSA-N 1 0 386.923 4.429 20 0 GIADRO C[C@@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181657547 821926859 /nfs/dbraw/zinc/92/68/59/821926859.db2.gz ZNRRXQYNIXRFHT-CVEARBPZSA-N 1 0 378.944 4.267 20 0 GIADRO CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)c1sc(C(C)C)nc1C ZINC000181660520 821929128 /nfs/dbraw/zinc/92/91/28/821929128.db2.gz ODRQCQYWEZQONH-HOCLYGCPSA-N 1 0 380.579 4.478 20 0 GIADRO CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000181663086 821930044 /nfs/dbraw/zinc/93/00/44/821930044.db2.gz PIGMCQBFQOERGG-PXNSSMCTSA-N 1 0 385.529 4.275 20 0 GIADRO C[C@H](NC(=O)/C=C/c1cnc(C(C)(C)C)s1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181678190 821939856 /nfs/dbraw/zinc/93/98/56/821939856.db2.gz ZATHMFSZAIDLKJ-ZBYDSPNZSA-N 1 0 375.582 4.223 20 0 GIADRO COC(=O)c1ccc(C[NH2+][C@H](C)c2sc(-c3cccnc3)nc2C)cc1OC ZINC000181687522 821944264 /nfs/dbraw/zinc/94/42/64/821944264.db2.gz XFRJTFFNDWOHDN-CYBMUJFWSA-N 1 0 397.500 4.160 20 0 GIADRO COC[C@@H]([NH2+]CC(=O)N[C@H](c1cccs1)c1ccc(C)cc1)c1ccccc1 ZINC000181691933 821946241 /nfs/dbraw/zinc/94/62/41/821946241.db2.gz XXDPLGMNTJBKDU-OFNKIYASSA-N 1 0 394.540 4.239 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(c2ccccn2)C1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000181697417 821947817 /nfs/dbraw/zinc/94/78/17/821947817.db2.gz ZFZQWTUHVZZAQL-SXLOBPIMSA-N 1 0 399.510 4.098 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@H]2CCN(c3ccccn3)C2)ccc1SC(F)F ZINC000181702563 821950846 /nfs/dbraw/zinc/95/08/46/821950846.db2.gz HUKPCJZQWUXLSG-HIFRSBDPSA-N 1 0 379.476 4.334 20 0 GIADRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000181708453 821953149 /nfs/dbraw/zinc/95/31/49/821953149.db2.gz NFGHNLVUNGQTHJ-TXPKVOOTSA-N 1 0 387.911 4.210 20 0 GIADRO CC[C@H]([NH2+]CC(=O)N[C@@H](c1nccs1)c1ccccc1)c1ccc(C)cc1 ZINC000181711326 821954948 /nfs/dbraw/zinc/95/49/48/821954948.db2.gz ZVQZACACPAQKTH-PZJWPPBQSA-N 1 0 379.529 4.398 20 0 GIADRO CCc1nc(C)c([C@@H](C)[N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)s1 ZINC000181716594 821958389 /nfs/dbraw/zinc/95/83/89/821958389.db2.gz LHKOYSGIFJGCQI-GFCCVEGCSA-N 1 0 394.472 4.083 20 0 GIADRO CN(C(=O)NCC1(C)CCCCCC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000181717665 821959080 /nfs/dbraw/zinc/95/90/80/821959080.db2.gz OCNRIOYEKJCZDT-UHFFFAOYSA-N 1 0 386.584 4.090 20 0 GIADRO C[C@H]([NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)[C@H]1COc2ccccc21 ZINC000181722730 821961353 /nfs/dbraw/zinc/96/13/53/821961353.db2.gz HXSMSPJGRFOFDZ-HNAYVOBHSA-N 1 0 384.907 4.099 20 0 GIADRO CCc1nn(C)c(CC)c1C[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000181724143 821961788 /nfs/dbraw/zinc/96/17/88/821961788.db2.gz AUJNWXSXVHPFNN-KRWDZBQOSA-N 1 0 392.341 4.311 20 0 GIADRO C[C@@H]([NH2+][C@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1ccc(OCC#N)cc1 ZINC000181729964 821965070 /nfs/dbraw/zinc/96/50/70/821965070.db2.gz BYCAFSTVYFJNEU-NTKDMRAZSA-N 1 0 399.494 4.490 20 0 GIADRO C[C@@H]1C[C@H]([N@H+](C)CC2CCN(C(=O)C(C)(C)C)CC2)CCN1Cc1ccccc1 ZINC000181736953 821969269 /nfs/dbraw/zinc/96/92/69/821969269.db2.gz XHRXTFBAWITPRL-NFBKMPQASA-N 1 0 399.623 4.256 20 0 GIADRO CCOc1ccc(Cl)cc1CC[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000181756050 821978266 /nfs/dbraw/zinc/97/82/66/821978266.db2.gz PJVSCUKUSJGMEC-LAUBAEHRSA-N 1 0 387.955 4.176 20 0 GIADRO CCOc1ccc(Cl)cc1CC[NH2+][C@@H](C)CC(=O)Nc1cccnc1Cl ZINC000181756153 821978342 /nfs/dbraw/zinc/97/83/42/821978342.db2.gz RXNVVIVXAKYEKE-ZDUSSCGKSA-N 1 0 396.318 4.337 20 0 GIADRO CCOc1ccc(Cl)cc1CC[NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000181756457 821978551 /nfs/dbraw/zinc/97/85/51/821978551.db2.gz NNHPOLBXZLUGJE-CYBMUJFWSA-N 1 0 399.915 4.175 20 0 GIADRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(Oc2cccnc2)c(C)c1 ZINC000181763707 821981728 /nfs/dbraw/zinc/98/17/28/821981728.db2.gz SZFZPXBRQYVEMV-RTBURBONSA-N 1 0 380.492 4.273 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N(Cc1ccco1)CC(F)(F)F)c1cc2ccccc2o1 ZINC000181771663 821986508 /nfs/dbraw/zinc/98/65/08/821986508.db2.gz PZTHUZVJEYZVJK-CYBMUJFWSA-N 1 0 380.366 4.268 20 0 GIADRO COc1cccc2cc([C@@H](C)[NH2+]CCNc3nccc(C(F)(F)F)n3)oc21 ZINC000181778020 821988022 /nfs/dbraw/zinc/98/80/22/821988022.db2.gz SFWJBRMKSWQTKC-LLVKDONJSA-N 1 0 380.370 4.013 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(N2CCCC2)cc1)c1ccc(OC)cc1 ZINC000181805993 822000263 /nfs/dbraw/zinc/00/02/63/822000263.db2.gz MCDJGGUIZYXQFJ-JTSKRJEESA-N 1 0 381.520 4.363 20 0 GIADRO CC[C@H]([NH2+][C@H](C)C(=O)N(C)Cc1nc2ccccc2s1)c1ccc(OC)cc1 ZINC000181811486 822002880 /nfs/dbraw/zinc/00/28/80/822002880.db2.gz JDJIJJMLMRWAAE-QAPCUYQASA-N 1 0 397.544 4.393 20 0 GIADRO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[NH2+][C@@H](C)c1cccc(N2CCCC2)c1 ZINC000181859975 822018891 /nfs/dbraw/zinc/01/88/91/822018891.db2.gz ROPOBZLLIZGQAP-ZWKOTPCHSA-N 1 0 383.511 4.296 20 0 GIADRO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(OC)cc2Br)C1 ZINC000181864631 822020340 /nfs/dbraw/zinc/02/03/40/822020340.db2.gz LDJAWCVAQJEDKH-MYQFPRQMSA-N 1 0 388.371 4.188 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1ccccc1OC(F)F)c1cccc(N2CCCC2)c1 ZINC000181868987 822021118 /nfs/dbraw/zinc/02/11/18/822021118.db2.gz HFBZUPRQNAXPHT-HNNXBMFYSA-N 1 0 389.446 4.178 20 0 GIADRO C[C@H]([NH2+]CC(=O)N[C@H](c1ccccc1)C1CC1)c1cccc(N2CCCC2)c1 ZINC000181868092 822021403 /nfs/dbraw/zinc/02/14/03/822021403.db2.gz GIVGAEWDNYUTMI-MHECFPHRSA-N 1 0 377.532 4.205 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)C[NH2+][C@H](C)c1cccc(N2CCCC2)c1 ZINC000181870282 822022136 /nfs/dbraw/zinc/02/21/36/822022136.db2.gz QHWMDUZDMBVZAF-OAHLLOKOSA-N 1 0 387.911 4.238 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)COCc1ccccc1Cl)c1cccc(N2CCCC2)c1 ZINC000181884128 822026165 /nfs/dbraw/zinc/02/61/65/822026165.db2.gz SXUFFONLRSPOBU-DYESRHJHSA-N 1 0 388.939 4.169 20 0 GIADRO CC(=O)c1cccc(NC(=O)C[NH2+][C@@H](C)c2cccc(OC(F)(F)F)c2)c1 ZINC000181901793 822031753 /nfs/dbraw/zinc/03/17/53/822031753.db2.gz RLTMWPSGXOHSEX-LBPRGKRZSA-N 1 0 380.366 4.077 20 0 GIADRO C[C@@H]([NH2+]Cc1cc(=O)oc2cc(O)ccc12)c1cccc(OC(F)(F)F)c1 ZINC000181902028 822031790 /nfs/dbraw/zinc/03/17/90/822031790.db2.gz YUEINFKVZYWUMI-LLVKDONJSA-N 1 0 379.334 4.248 20 0 GIADRO CC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2c(C)nn(Cc3ccccc3)c2C)cc1 ZINC000181924622 822037747 /nfs/dbraw/zinc/03/77/47/822037747.db2.gz IASISPVSNDEYCQ-MRXNPFEDSA-N 1 0 376.504 4.357 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)C[NH2+][C@H](CC2CCCC2)c2ccccc2)cc1 ZINC000181943893 822041859 /nfs/dbraw/zinc/04/18/59/822041859.db2.gz HTFCLVZDJNZJND-JOCHJYFZSA-N 1 0 379.504 4.495 20 0 GIADRO CC(C)[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)c1ccc(F)c(F)c1 ZINC000181950517 822043175 /nfs/dbraw/zinc/04/31/75/822043175.db2.gz RDQMDJLYWZHRQR-XCGNWRKASA-N 1 0 389.490 4.460 20 0 GIADRO Brc1ccccc1CCC[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000181977718 822050723 /nfs/dbraw/zinc/05/07/23/822050723.db2.gz UPWPRNBCPXDSGY-GOSISDBHSA-N 1 0 382.342 4.042 20 0 GIADRO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+][C@@H]1CCN(c2ncccc2F)C1 ZINC000181990412 822055563 /nfs/dbraw/zinc/05/55/63/822055563.db2.gz FGLZTQPWNVRFRL-QGZVFWFLSA-N 1 0 399.901 4.045 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N2CCC[C@@H]2c2cccs2)cc1F ZINC000181997895 822057996 /nfs/dbraw/zinc/05/79/96/822057996.db2.gz CPYPOZARDITVLX-GRDNDAEWSA-N 1 0 376.497 4.299 20 0 GIADRO C[C@@H]([NH2+]CCOc1ccc(Br)cc1)c1ccc(OCC#N)cc1 ZINC000182006164 822060204 /nfs/dbraw/zinc/06/02/04/822060204.db2.gz UJKGJXJRKYUORX-CQSZACIVSA-N 1 0 375.266 4.081 20 0 GIADRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1cc2c(ccc3ccccc23)o1 ZINC000182009859 822060805 /nfs/dbraw/zinc/06/08/05/822060805.db2.gz KWFOCGMWTRDRCX-OAHLLOKOSA-N 1 0 398.528 4.193 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1)c1ccc(-n2ccnn2)cc1 ZINC000182017037 822063826 /nfs/dbraw/zinc/06/38/26/822063826.db2.gz MVDDPEFHQUHLGC-INIZCTEOSA-N 1 0 378.476 4.073 20 0 GIADRO COCCC[NH+]1CCC(NC(=O)c2cc(C)ccc2SC2CCCC2)CC1 ZINC000182029525 822067716 /nfs/dbraw/zinc/06/77/16/822067716.db2.gz OCUPJRAVLGPCET-UHFFFAOYSA-N 1 0 390.593 4.260 20 0 GIADRO COc1ccc([C@H]([NH2+]CC(=O)N(C)c2nc3ccccc3s2)C(C)C)cc1 ZINC000182048521 822073214 /nfs/dbraw/zinc/07/32/14/822073214.db2.gz KJVXQHIDTMLWTE-HXUWFJFHSA-N 1 0 383.517 4.255 20 0 GIADRO Cc1cc(C[NH2+][C@H](CC(N)=O)C2CCCCC2)nc(-c2ccc(Cl)cc2)n1 ZINC000182054906 822076151 /nfs/dbraw/zinc/07/61/51/822076151.db2.gz UVCTWBPXROXBPP-LJQANCHMSA-N 1 0 386.927 4.019 20 0 GIADRO C/C(=C\C(=O)Nc1ccccc1C[NH+]1CCC(O)CC1)c1cccc(Cl)c1 ZINC000182061760 822078108 /nfs/dbraw/zinc/07/81/08/822078108.db2.gz MWVLCPXYXWPKJE-DTQAZKPQSA-N 1 0 384.907 4.339 20 0 GIADRO C[C@H](C(=O)Nc1ccccc1C[NH+]1CCC(O)CC1)c1ccc(Cl)s1 ZINC000182064401 822079021 /nfs/dbraw/zinc/07/90/21/822079021.db2.gz IXZGEQXTZHJEFH-ZDUSSCGKSA-N 1 0 378.925 4.100 20 0 GIADRO O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)c1cc(F)cc(C(F)(F)F)c1 ZINC000182065412 822079774 /nfs/dbraw/zinc/07/97/74/822079774.db2.gz SJVXGAZDRSPTKQ-UHFFFAOYSA-N 1 0 396.384 4.054 20 0 GIADRO Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@@H](C)c1ccc(OCc2cccc(C)c2)cc1 ZINC000182067393 822080106 /nfs/dbraw/zinc/08/01/06/822080106.db2.gz JZGWSYZKTSHMTH-INIZCTEOSA-N 1 0 392.503 4.203 20 0 GIADRO Cc1cc(C[N@H+]2CCC[C@@H](Cc3nccn3C)C2)ccc1Oc1cccnc1 ZINC000182090526 822089812 /nfs/dbraw/zinc/08/98/12/822089812.db2.gz LHACJODEWKZUIL-IBGZPJMESA-N 1 0 376.504 4.371 20 0 GIADRO C[S@](=O)C[C@H]([NH2+]Cc1ccc(Cl)c(Br)c1)c1ccccc1 ZINC000182103932 822094926 /nfs/dbraw/zinc/09/49/26/822094926.db2.gz WWCWVFUIEUKCBM-KKSFZXQISA-N 1 0 386.742 4.312 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000182107189 822096655 /nfs/dbraw/zinc/09/66/55/822096655.db2.gz VFJDPEDVQUWJDT-INIZCTEOSA-N 1 0 392.858 4.320 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CCCc2c(C)nn(C)c2C)c(Br)c1 ZINC000182109162 822097443 /nfs/dbraw/zinc/09/74/43/822097443.db2.gz MOWOVYVEWDGONH-LBPRGKRZSA-N 1 0 380.330 4.091 20 0 GIADRO CCOc1cccc(C[NH2+][C@@H](C)c2ccc(NC(C)=O)cc2)c1OC(F)F ZINC000182116992 822101170 /nfs/dbraw/zinc/10/11/70/822101170.db2.gz BLIJPVHBVGXSDC-ZDUSSCGKSA-N 1 0 378.419 4.496 20 0 GIADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]Cc1ccc(Cl)cn1 ZINC000182121105 822102834 /nfs/dbraw/zinc/10/28/34/822102834.db2.gz LEEJUKXDABRGAH-NSHDSACASA-N 1 0 382.689 4.004 20 0 GIADRO CC(C)c1ccc(C2(O)CCC([NH2+][C@@H]3CCN(C(=O)C4CCCC4)C3)CC2)cc1 ZINC000182123275 822104199 /nfs/dbraw/zinc/10/41/99/822104199.db2.gz GILGNSXSSAEHRM-QJOWDPPASA-N 1 0 398.591 4.321 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000182127084 822106004 /nfs/dbraw/zinc/10/60/04/822106004.db2.gz AOHSUKYHXCCKHJ-CYBMUJFWSA-N 1 0 396.457 4.174 20 0 GIADRO CC(=O)Nc1ccc([C@@H](C)[NH2+]CCc2nc(-c3cccc(Cl)c3)no2)cc1 ZINC000182138163 822112109 /nfs/dbraw/zinc/11/21/09/822112109.db2.gz HUSLUSLURYDEMF-CYBMUJFWSA-N 1 0 384.867 4.242 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1)c1ccc(N2CCOC2=O)cc1 ZINC000182142044 822114109 /nfs/dbraw/zinc/11/41/09/822114109.db2.gz ZRYZVTFWHMSYDP-INIZCTEOSA-N 1 0 396.487 4.449 20 0 GIADRO CCCC[C@H]([NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1)c1ccc(OC)cc1 ZINC000182143130 822114926 /nfs/dbraw/zinc/11/49/26/822114926.db2.gz KEWQHKRDSNVVRS-IBGZPJMESA-N 1 0 385.895 4.378 20 0 GIADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)N[C@@H]1CCCOc2c(F)cccc21 ZINC000182147487 822117979 /nfs/dbraw/zinc/11/79/79/822117979.db2.gz BJSGVPLDUUTFEZ-HXUWFJFHSA-N 1 0 389.515 4.136 20 0 GIADRO Cc1cccc(C)c1CC(=O)Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000182157026 822122390 /nfs/dbraw/zinc/12/23/90/822122390.db2.gz UNRUQHYOVUGOOK-OAQYLSRUSA-N 1 0 388.515 4.128 20 0 GIADRO CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H](C)Cc2cc(C)nn2-c2ccccc2)cc1 ZINC000182160226 822123812 /nfs/dbraw/zinc/12/38/12/822123812.db2.gz XMGDPTRHBVLFSZ-WMZOPIPTSA-N 1 0 376.504 4.421 20 0 GIADRO C[C@H]([NH2+][C@H]1CCCOc2c(Cl)cccc21)c1ccc(S(C)(=O)=O)cc1 ZINC000182179663 822135340 /nfs/dbraw/zinc/13/53/40/822135340.db2.gz WHTAWAUYKBBYQJ-UGSOOPFHSA-N 1 0 379.909 4.308 20 0 GIADRO Cc1ccc2c(c1)OCCC[C@H]2[NH2+][C@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000182186882 822138161 /nfs/dbraw/zinc/13/81/61/822138161.db2.gz XPIQPALBRXNHFM-RBBKRZOGSA-N 1 0 378.516 4.032 20 0 GIADRO CC[C@@](C)([NH2+]C[C@@H](O)COc1ccccc1C(F)(F)F)c1nc(C)cs1 ZINC000182193641 822141071 /nfs/dbraw/zinc/14/10/71/822141071.db2.gz KWMSJLKOTLVNSX-CXAGYDPISA-N 1 0 388.455 4.125 20 0 GIADRO CC(C)n1cnnc1[C@@H]1CCC[N@H+](CCCc2ccccc2Br)C1 ZINC000182210329 822148510 /nfs/dbraw/zinc/14/85/10/822148510.db2.gz YYRJUTSNILEVGK-QGZVFWFLSA-N 1 0 391.357 4.434 20 0 GIADRO CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)cc1 ZINC000182223428 822154814 /nfs/dbraw/zinc/15/48/14/822154814.db2.gz HDVJCLDMDSVKFG-RYUDHWBXSA-N 1 0 382.430 4.432 20 0 GIADRO CCOc1cccc2cc([C@H](C)NC(=O)N3CCC[C@H]4C[N@H+](C)CC[C@@H]43)oc21 ZINC000182248346 822166680 /nfs/dbraw/zinc/16/66/80/822166680.db2.gz WZPUJMTUMWFTMF-SZMVWBNQSA-N 1 0 385.508 4.018 20 0 GIADRO C[C@@H](CCNC(=O)c1ccccc1CSC1=NCCS1)[NH+]1CCCCC1 ZINC000182258221 822172369 /nfs/dbraw/zinc/17/23/69/822172369.db2.gz GXHHTYKUEPFBEA-INIZCTEOSA-N 1 0 391.606 4.017 20 0 GIADRO C[C@H](CCNC(=O)c1ccccc1CSC1=NCCS1)[NH+]1CCCCC1 ZINC000182258244 822173262 /nfs/dbraw/zinc/17/32/62/822173262.db2.gz GXHHTYKUEPFBEA-MRXNPFEDSA-N 1 0 391.606 4.017 20 0 GIADRO Cc1cc2ncc([C@@H](C)[NH2+]C3(c4cccc(Br)c4)CC3)c(C)n2n1 ZINC000182272265 822181313 /nfs/dbraw/zinc/18/13/13/822181313.db2.gz GNKXBLIYDUEVOM-CYBMUJFWSA-N 1 0 385.309 4.449 20 0 GIADRO FC(F)(F)CN1CCC([NH2+]C2(c3cccc(Br)c3)CC2)CC1 ZINC000182272457 822181734 /nfs/dbraw/zinc/18/17/34/822181734.db2.gz BHSCIVWYNBULAP-UHFFFAOYSA-N 1 0 377.248 4.055 20 0 GIADRO C[C@H]([NH2+]CCCCC(=O)OCc1ccccc1)c1ncc(Br)s1 ZINC000182277879 822183654 /nfs/dbraw/zinc/18/36/54/822183654.db2.gz MCPPVFVHCBQBQJ-ZDUSSCGKSA-N 1 0 397.338 4.470 20 0 GIADRO CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000182301463 822193127 /nfs/dbraw/zinc/19/31/27/822193127.db2.gz XWLNZSSHMZUMNK-OLZOCXBDSA-N 1 0 394.427 4.042 20 0 GIADRO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000182334890 822205867 /nfs/dbraw/zinc/20/58/67/822205867.db2.gz GHNUJQPUUMVOFB-KRWDZBQOSA-N 1 0 376.504 4.395 20 0 GIADRO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2cccc(Br)c2)cc1 ZINC000182334934 822206115 /nfs/dbraw/zinc/20/61/15/822206115.db2.gz LCLJBAUVOYIUOF-ZDUSSCGKSA-N 1 0 382.323 4.094 20 0 GIADRO CC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)CC)cc1)c1ccc(Br)cc1 ZINC000182336358 822206479 /nfs/dbraw/zinc/20/64/79/822206479.db2.gz BOQLWRHQSDSRNO-GOSISDBHSA-N 1 0 396.350 4.484 20 0 GIADRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c1 ZINC000182351183 822211357 /nfs/dbraw/zinc/21/13/57/822211357.db2.gz WJJXUNJPTIQPNU-VXGBXAGGSA-N 1 0 397.302 4.236 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3cc(C4CCCCC4)[nH]n3)cc2)CC1 ZINC000182355379 822213045 /nfs/dbraw/zinc/21/30/45/822213045.db2.gz UCYLGWMDJLKANE-UHFFFAOYSA-N 1 0 395.551 4.240 20 0 GIADRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C(=O)Nc2ccccc2)c2ccccc2)c1 ZINC000182365223 822216882 /nfs/dbraw/zinc/21/68/82/822216882.db2.gz XCCXVXQPTFSWAH-OPAMFIHVSA-N 1 0 376.456 4.431 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)CCc3ccc(F)cc3F)cc2)CC1 ZINC000182367539 822217177 /nfs/dbraw/zinc/21/71/77/822217177.db2.gz RIYPORJSHSENEY-UHFFFAOYSA-N 1 0 387.474 4.067 20 0 GIADRO CCOc1cc(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)ccc1C ZINC000182368858 822217703 /nfs/dbraw/zinc/21/77/03/822217703.db2.gz WVTNDPFEQJEYCW-UHFFFAOYSA-N 1 0 381.520 4.176 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H]3C[C@@H]3c3cccc(F)c3F)cc2)CC1 ZINC000182371369 822219069 /nfs/dbraw/zinc/21/90/69/822219069.db2.gz PDXGNXPNIJHURU-UXHICEINSA-N 1 0 399.485 4.237 20 0 GIADRO COc1cc(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)ccc1Cl ZINC000182373073 822219398 /nfs/dbraw/zinc/21/93/98/822219398.db2.gz CNOOJAXGEUMVBJ-UHFFFAOYSA-N 1 0 387.911 4.131 20 0 GIADRO C[C@H](NC(=O)N[C@H](c1ccco1)c1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182377277 822221089 /nfs/dbraw/zinc/22/10/89/822221089.db2.gz RCHXBXKPBXUZRU-KPLVRAHFSA-N 1 0 381.520 4.321 20 0 GIADRO C[C@@H](NC(=O)NCc1ccccc1OC(F)(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182380186 822222128 /nfs/dbraw/zinc/22/21/28/822222128.db2.gz ZFFCVEYOPAWQDT-ZBFHGGJFSA-N 1 0 399.457 4.037 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1cccc(Br)c1Cl)c1ccccc1 ZINC000182387008 822224740 /nfs/dbraw/zinc/22/47/40/822224740.db2.gz JNJDCYAHRDOBJJ-OAHLLOKOSA-N 1 0 381.701 4.135 20 0 GIADRO COc1ccc([C@@H](CCO)[NH2+]Cc2cccc(NC(=O)OC(C)(C)C)c2)cc1 ZINC000182400437 822230179 /nfs/dbraw/zinc/23/01/79/822230179.db2.gz RWFVHXYXUDSWMI-HXUWFJFHSA-N 1 0 386.492 4.256 20 0 GIADRO CS(=O)(=O)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000182418453 822235868 /nfs/dbraw/zinc/23/58/68/822235868.db2.gz GLZHEVVBRPWBPP-YJBOKZPZSA-N 1 0 390.530 4.002 20 0 GIADRO Cc1cc(F)cc2[nH]c(C(=O)Nc3ccc(N4CCC([NH+](C)C)CC4)cc3)cc21 ZINC000182432688 822240587 /nfs/dbraw/zinc/24/05/87/822240587.db2.gz GNTSCJFXTPYEPR-UHFFFAOYSA-N 1 0 394.494 4.398 20 0 GIADRO FC(F)Sc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cccnc1-n1cncn1 ZINC000182437060 822242165 /nfs/dbraw/zinc/24/21/65/822242165.db2.gz QFNCRKYFRCVHPE-KRWDZBQOSA-N 1 0 387.459 4.144 20 0 GIADRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cc(C)c(Cl)cc2OC)c1 ZINC000182452820 822247553 /nfs/dbraw/zinc/24/75/53/822247553.db2.gz IIBKILXOBMCFJK-STQMWFEESA-N 1 0 392.883 4.049 20 0 GIADRO CC[C@@H]([NH2+]C[C@H](O)COc1ccc(-c2ccccc2)cc1)c1c(C)noc1C ZINC000182453252 822247827 /nfs/dbraw/zinc/24/78/27/822247827.db2.gz MMDVRTIIFPNKLV-RBBKRZOGSA-N 1 0 380.488 4.439 20 0 GIADRO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3cc(Cl)ccc3N3CCCCC3)CC[C@@H]21 ZINC000177943924 822251564 /nfs/dbraw/zinc/25/15/64/822251564.db2.gz MWYRYVYLIIJHPV-LPHOPBHVSA-N 1 0 390.959 4.278 20 0 GIADRO Cc1nn(C(C)(C)C)cc1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000182460629 822251763 /nfs/dbraw/zinc/25/17/63/822251763.db2.gz FZYITZAOHKQNEW-XLIONFOSSA-N 1 0 382.552 4.072 20 0 GIADRO Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+][C@@H](C)C(=O)NCc1ccccc1 ZINC000177945252 822252282 /nfs/dbraw/zinc/25/22/82/822252282.db2.gz OVNKOUYZMPCUPX-AEFFLSMTSA-N 1 0 393.556 4.398 20 0 GIADRO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)c1ccc(-n2cccn2)cc1 ZINC000177963762 822259696 /nfs/dbraw/zinc/25/96/96/822259696.db2.gz UMJLWGRXOGREEC-UPRUFMODSA-N 1 0 396.535 4.453 20 0 GIADRO COc1ccc([C@H](C)NC2CC[NH+](CCc3ccccc3)CC2)cc1NC(C)=O ZINC000177969523 822261963 /nfs/dbraw/zinc/26/19/63/822261963.db2.gz TZPPANJHJIBXMF-SFHVURJKSA-N 1 0 395.547 4.011 20 0 GIADRO O=S(=O)(CC[NH2+][C@@H]1CCSc2c(F)cccc21)c1ccc(Cl)cc1 ZINC000177970122 822262803 /nfs/dbraw/zinc/26/28/03/822262803.db2.gz ZVABCVUGNDGBTI-MRXNPFEDSA-N 1 0 385.913 4.080 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCCc2cc(F)ccc21)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000182490568 822264720 /nfs/dbraw/zinc/26/47/20/822264720.db2.gz WAAGZFRTYRBLCZ-QRQCRPRQSA-N 1 0 382.479 4.211 20 0 GIADRO C[C@@H]([NH2+]CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(-n2ccnc2)cc1 ZINC000177976899 822266688 /nfs/dbraw/zinc/26/66/88/822266688.db2.gz ISOCVWBHPPIDCI-MSOLQXFVSA-N 1 0 384.524 4.170 20 0 GIADRO CN(C)C(=O)CCC[NH2+][C@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21 ZINC000177991992 822273182 /nfs/dbraw/zinc/27/31/82/822273182.db2.gz VBGVNGMNEDMDDZ-HNNXBMFYSA-N 1 0 377.941 4.299 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(CN2CCCC2=O)c1)c1ccc(Br)s1 ZINC000177992617 822273506 /nfs/dbraw/zinc/27/35/06/822273506.db2.gz RCPUMOFICNWINK-CYBMUJFWSA-N 1 0 393.350 4.484 20 0 GIADRO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2cc(Br)c(F)cc2Cl)C1 ZINC000177992611 822273731 /nfs/dbraw/zinc/27/37/31/822273731.db2.gz FRPOZBUJUXZHOU-JTQLQIEISA-N 1 0 392.700 4.095 20 0 GIADRO CC(=O)c1ccc(NC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)cc1Cl ZINC000182508492 822273765 /nfs/dbraw/zinc/27/37/65/822273765.db2.gz XLNKNVFZCCQKSQ-GOSISDBHSA-N 1 0 377.847 4.106 20 0 GIADRO O=c1[nH]c2ccccc2cc1C[N@H+]1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000177997427 822275964 /nfs/dbraw/zinc/27/59/64/822275964.db2.gz PSSXXMOOYVVQGG-GGAORHGYSA-N 1 0 376.500 4.396 20 0 GIADRO C[C@H](C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1)c1ccccc1 ZINC000182528775 822284979 /nfs/dbraw/zinc/28/49/79/822284979.db2.gz XDNUMGFRVAFCHC-SFHVURJKSA-N 1 0 379.504 4.243 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]CCNC(=O)c1ccccc1 ZINC000178019993 822285023 /nfs/dbraw/zinc/28/50/23/822285023.db2.gz UQOZCBHBLUGDGK-AWEZNQCLSA-N 1 0 383.492 4.338 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(Oc3cccc(OC)c3)cc2)C1 ZINC000178019599 822285049 /nfs/dbraw/zinc/28/50/49/822285049.db2.gz HRNZQNSFRXXOCL-KRWDZBQOSA-N 1 0 383.492 4.293 20 0 GIADRO Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+]CCNC(=O)c1ccccc1 ZINC000178020344 822285089 /nfs/dbraw/zinc/28/50/89/822285089.db2.gz XREVCAUEGIHRKM-CQSZACIVSA-N 1 0 383.492 4.338 20 0 GIADRO CCN(C(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1)C(C)C ZINC000182531719 822286577 /nfs/dbraw/zinc/28/65/77/822286577.db2.gz LOSZLGSYFARTPD-UHFFFAOYSA-N 1 0 385.474 4.452 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(COCCc3ccccc3)c2)C1 ZINC000178024043 822287706 /nfs/dbraw/zinc/28/77/06/822287706.db2.gz OKGCZBOIEYIJSH-JOCHJYFZSA-N 1 0 395.547 4.251 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(OCc3ccccc3F)cc2)C1 ZINC000178025435 822288411 /nfs/dbraw/zinc/28/84/11/822288411.db2.gz UDHCTJIIUVCKCM-KRWDZBQOSA-N 1 0 385.483 4.210 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CC(=O)N2CC[C@@H](C)Sc3ccccc32)c1 ZINC000182543394 822293839 /nfs/dbraw/zinc/29/38/39/822293839.db2.gz BTHZBAZREDTJNH-HZPDHXFCSA-N 1 0 397.544 4.213 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CC(=O)N2CC[C@H](C)Sc3ccccc32)c1 ZINC000182543412 822293867 /nfs/dbraw/zinc/29/38/67/822293867.db2.gz BTHZBAZREDTJNH-JKSUJKDBSA-N 1 0 397.544 4.213 20 0 GIADRO C[C@H]([NH2+]C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc2c(c1)CCO2 ZINC000178043088 822295851 /nfs/dbraw/zinc/29/58/51/822295851.db2.gz NPXBXLAKLYGWTE-AWEZNQCLSA-N 1 0 391.437 4.355 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(C)c(Oc3cc(C)ccn3)c2)C1 ZINC000178042654 822296040 /nfs/dbraw/zinc/29/60/40/822296040.db2.gz LIVHSVPAZOGOAI-GOSISDBHSA-N 1 0 382.508 4.296 20 0 GIADRO C[C@@H]([NH2+]C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc2c(c1)CCO2 ZINC000178043100 822296088 /nfs/dbraw/zinc/29/60/88/822296088.db2.gz NPXBXLAKLYGWTE-CQSZACIVSA-N 1 0 391.437 4.355 20 0 GIADRO CCOc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(OC[C@@H]3CCCO3)cc1)CCO2 ZINC000178043904 822296807 /nfs/dbraw/zinc/29/68/07/822296807.db2.gz MCRSVDNMLUZGAA-UNMCSNQZSA-N 1 0 383.488 4.257 20 0 GIADRO C[C@H]([NH2+]CC(=O)NCc1cccc(COCc2ccco2)c1)c1cccs1 ZINC000182552791 822298436 /nfs/dbraw/zinc/29/84/36/822298436.db2.gz RNDFUAXBGOWKLG-INIZCTEOSA-N 1 0 384.501 4.025 20 0 GIADRO COc1ccc(NC(=O)C[C@H](C)[NH2+]CCc2csc3ccccc23)c(OC)c1 ZINC000178047249 822298429 /nfs/dbraw/zinc/29/84/29/822298429.db2.gz ZHACVJQGWUGFME-HNNXBMFYSA-N 1 0 398.528 4.468 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1cccc(NC(=O)c2ccccc2)c1)C(=O)NC1CCCC1 ZINC000182559724 822302573 /nfs/dbraw/zinc/30/25/73/822302573.db2.gz JTXYHKHAQSTZJZ-DLBZAZTESA-N 1 0 379.504 4.037 20 0 GIADRO CC(C)(C)OC(=O)NCCCOC1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000178066902 822307144 /nfs/dbraw/zinc/30/71/44/822307144.db2.gz XPJGACNJPHNOTE-UHFFFAOYSA-N 1 0 388.961 4.297 20 0 GIADRO CCN(CC)C(=O)CCC1CC[NH+]([C@H](C)c2nnc(-c3ccccc3)o2)CC1 ZINC000182576890 822309543 /nfs/dbraw/zinc/30/95/43/822309543.db2.gz ZOYCSLUAURTEAI-QGZVFWFLSA-N 1 0 384.524 4.158 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000182577041 822310063 /nfs/dbraw/zinc/31/00/63/822310063.db2.gz SHWOCYHXFSTSEW-PXNSSMCTSA-N 1 0 379.504 4.446 20 0 GIADRO COc1ccccc1CCC[NH+]1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000182580935 822311216 /nfs/dbraw/zinc/31/12/16/822311216.db2.gz VQNFKJBYRBTMEN-UHFFFAOYSA-N 1 0 385.483 4.053 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+][C@H]2CCc3cc(Cl)ccc32)cc1 ZINC000178086025 822313430 /nfs/dbraw/zinc/31/34/30/822313430.db2.gz BISAEKSUUUUIST-YJYMSZOUSA-N 1 0 378.925 4.440 20 0 GIADRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+][C@H](C)C(=O)NC3CCCC3)s2)cc1 ZINC000178099410 822319120 /nfs/dbraw/zinc/31/91/20/822319120.db2.gz DQQIWWWZCBLGNM-UKRRQHHQSA-N 1 0 387.549 4.225 20 0 GIADRO C[C@H](NC(=O)N[C@H](c1nccs1)c1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182613343 822322574 /nfs/dbraw/zinc/32/25/74/822322574.db2.gz LYNNMNYNOAWCGL-HQRMLTQVSA-N 1 0 398.576 4.185 20 0 GIADRO CC(C)Oc1ccc([C@H](C)[NH2+]CC(=O)N(C)c2nc3ccccc3s2)cc1 ZINC000182626445 822328256 /nfs/dbraw/zinc/32/82/56/822328256.db2.gz ULKQDZZFILDBST-HNNXBMFYSA-N 1 0 383.517 4.397 20 0 GIADRO Cc1cc(C)c(NC(=O)C[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)c(C)c1 ZINC000178134613 822328917 /nfs/dbraw/zinc/32/89/17/822328917.db2.gz PTEBXUYBNSFMKH-SFHVURJKSA-N 1 0 379.504 4.028 20 0 GIADRO Cc1ccc(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)c(OC[C@H]2CCCO2)c1 ZINC000178151422 822334778 /nfs/dbraw/zinc/33/47/78/822334778.db2.gz IYIJIVQDGJZXOA-AZUAARDMSA-N 1 0 386.536 4.146 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1cc2ccccc2o1)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000182641420 822334923 /nfs/dbraw/zinc/33/49/23/822334923.db2.gz IJFLTIQORSPSPI-HZPDHXFCSA-N 1 0 391.471 4.237 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(N2CCCC2=O)c1)c1cc2ccccc2o1 ZINC000182641387 822335163 /nfs/dbraw/zinc/33/51/63/822335163.db2.gz IJFLTIQORSPSPI-CVEARBPZSA-N 1 0 391.471 4.237 20 0 GIADRO Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000182644527 822336644 /nfs/dbraw/zinc/33/66/44/822336644.db2.gz XBAALAGMAGQMNK-ZWKOTPCHSA-N 1 0 377.577 4.020 20 0 GIADRO CCOc1cccc2cc([C@H](C)[NH2+]C[C@@H](O)COc3cccc(C(C)=O)c3)oc21 ZINC000182648688 822337910 /nfs/dbraw/zinc/33/79/10/822337910.db2.gz YXLMCZLJEBICCC-HNAYVOBHSA-N 1 0 397.471 4.125 20 0 GIADRO Cc1ccc2[nH]c([C@H]3CCCN3C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)nc2c1 ZINC000178169293 822340312 /nfs/dbraw/zinc/34/03/12/822340312.db2.gz YNHYOCBTSIXIBY-DYESRHJHSA-N 1 0 380.536 4.189 20 0 GIADRO COc1cc(OC)c([C@H](C)[NH2+]CCNC(=O)c2ccccc2Cl)cc1Cl ZINC000178172205 822341176 /nfs/dbraw/zinc/34/11/76/822341176.db2.gz IRRBQKQZPIRZAW-LBPRGKRZSA-N 1 0 397.302 4.091 20 0 GIADRO CSc1nnc(CCC[NH2+][C@H](C)c2ccc3ccccc3n2)n1CC(C)C ZINC000178175586 822342826 /nfs/dbraw/zinc/34/28/26/822342826.db2.gz CWSMOMRLVPSBAB-MRXNPFEDSA-N 1 0 383.565 4.488 20 0 GIADRO CCOc1cccc2cc([C@H](C)[NH2+]CC(=O)N3CCC[C@H](C(F)(F)F)C3)oc21 ZINC000182663692 822343586 /nfs/dbraw/zinc/34/35/86/822343586.db2.gz XTVXYNDMXVFNQV-ZFWWWQNUSA-N 1 0 398.425 4.283 20 0 GIADRO C[C@@H]([NH2+]C[C@H](c1ccccc1Cl)N(C)C)c1cccc(N2CCOC2=O)c1 ZINC000178187658 822346456 /nfs/dbraw/zinc/34/64/56/822346456.db2.gz USRDETQFFCCJPT-FOIQADDNSA-N 1 0 387.911 4.250 20 0 GIADRO Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+][C@H]1CCCN(c2ncccn2)C1 ZINC000178191090 822347666 /nfs/dbraw/zinc/34/76/66/822347666.db2.gz LLHDXEAPYWKDAC-ZBFHGGJFSA-N 1 0 397.523 4.367 20 0 GIADRO Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+][C@H]1CCCN(c2ncccn2)C1 ZINC000178191103 822347725 /nfs/dbraw/zinc/34/77/25/822347725.db2.gz LLHDXEAPYWKDAC-HOCLYGCPSA-N 1 0 397.523 4.367 20 0 GIADRO COc1ccccc1-c1ccc([C@H](C)[NH2+][C@H]2CCCN(c3ncccn3)C2)cc1 ZINC000178191736 822348301 /nfs/dbraw/zinc/34/83/01/822348301.db2.gz PDXDBUHWQOZVKT-RXVVDRJESA-N 1 0 388.515 4.472 20 0 GIADRO O=C(C[NH2+][C@@H]1CCCOc2c(Cl)cccc21)Nc1ccc(F)c(F)c1F ZINC000178201247 822350306 /nfs/dbraw/zinc/35/03/06/822350306.db2.gz VPBHYICUPOXNFK-CYBMUJFWSA-N 1 0 384.785 4.199 20 0 GIADRO C[C@H](CCNC(=O)N1CCC[C@@H]1c1nc2ccccc2s1)[NH+]1CCCCC1 ZINC000182688596 822351990 /nfs/dbraw/zinc/35/19/90/822351990.db2.gz CVXAHABKDSYEMR-SJLPKXTDSA-N 1 0 386.565 4.407 20 0 GIADRO C[C@@H]([NH2+]CCCCOc1ccccc1C(F)(F)F)c1nnc2ccccn21 ZINC000182689171 822352039 /nfs/dbraw/zinc/35/20/39/822352039.db2.gz CLQYHSGYFZMWFD-CQSZACIVSA-N 1 0 378.398 4.258 20 0 GIADRO C[C@H]([NH2+]CCCCOc1cccc(C(F)(F)F)c1)c1nnc2ccccn21 ZINC000182688715 822352170 /nfs/dbraw/zinc/35/21/70/822352170.db2.gz ZIWLFMLDYNVHGE-AWEZNQCLSA-N 1 0 378.398 4.258 20 0 GIADRO COC[C@@H](NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(F)c(F)c1 ZINC000182691956 822353236 /nfs/dbraw/zinc/35/32/36/822353236.db2.gz AMLPGDFNPVAXRX-FOIQADDNSA-N 1 0 380.504 4.216 20 0 GIADRO C[C@@H](CCNC(=O)N(CCc1ccccc1)Cc1ccncc1)[NH+]1CCCCC1 ZINC000182695312 822353491 /nfs/dbraw/zinc/35/34/91/822353491.db2.gz FCTRTLIFOWGZLZ-NRFANRHFSA-N 1 0 394.563 4.100 20 0 GIADRO COCc1noc(C[NH2+]C2(Cc3ccc(Br)cc3)CCCCC2)n1 ZINC000182696380 822353849 /nfs/dbraw/zinc/35/38/49/822353849.db2.gz GXAIDCDFVCIXOC-UHFFFAOYSA-N 1 0 394.313 4.014 20 0 GIADRO CCCN(C(=O)c1cccs1)C1CC[NH+](CCc2scnc2C)CC1 ZINC000178219278 822354893 /nfs/dbraw/zinc/35/48/93/822354893.db2.gz WPHHFVMIHVVZKH-UHFFFAOYSA-N 1 0 377.579 4.072 20 0 GIADRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](CCC(=O)c2ccc(F)cc2)C1 ZINC000182701092 822355022 /nfs/dbraw/zinc/35/50/22/822355022.db2.gz MHQFGLFZMRZGOU-RDJZCZTQSA-N 1 0 378.488 4.024 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000178233412 822357059 /nfs/dbraw/zinc/35/70/59/822357059.db2.gz KQCIYCCGTOPZMC-INIZCTEOSA-N 1 0 393.560 4.224 20 0 GIADRO C[C@@H]([NH2+]C1CCN(Cc2ccncc2)CC1)c1cccc(OC(F)(F)F)c1 ZINC000178235556 822357230 /nfs/dbraw/zinc/35/72/30/822357230.db2.gz KYKZIYKIESLDEK-OAHLLOKOSA-N 1 0 379.426 4.295 20 0 GIADRO COc1cc(OC)c([C@H](C)[NH2+]C2CCN(Cc3ccncc3)CC2)cc1Cl ZINC000178234639 822357251 /nfs/dbraw/zinc/35/72/51/822357251.db2.gz NIBBCPFAWMEXED-HNNXBMFYSA-N 1 0 389.927 4.067 20 0 GIADRO Cc1nc2ccc(NC(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc2s1 ZINC000045027361 822358166 /nfs/dbraw/zinc/35/81/66/822358166.db2.gz WFJPGEYVTNTSPO-UHFFFAOYSA-N 1 0 380.517 4.391 20 0 GIADRO C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)[NH2+][C@@H]1CCO[C@H](c2nccn2C)C1 ZINC000453405517 822358704 /nfs/dbraw/zinc/35/87/04/822358704.db2.gz SSAHJUKRONPHHK-OJIVJNGMSA-N 1 0 398.334 4.393 20 0 GIADRO COc1ccc([C@H]([NH2+]CCc2cnc(C)cn2)c2ccccc2Cl)cc1OC ZINC000453413864 822359577 /nfs/dbraw/zinc/35/95/77/822359577.db2.gz WOBPTJKXXFQGNO-QFIPXVFZSA-N 1 0 397.906 4.377 20 0 GIADRO CC(C)Oc1ccc([C@H](C)[NH2+][C@H]2CCO[C@@H](c3nccn3C)C2)cc1Cl ZINC000453416969 822359950 /nfs/dbraw/zinc/35/99/50/822359950.db2.gz ZTDCJPCKITUHCI-URLQWDBASA-N 1 0 377.916 4.432 20 0 GIADRO Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@H]1C[C@H](C)c2c1cccc2Br ZINC000453419664 822360435 /nfs/dbraw/zinc/36/04/35/822360435.db2.gz DDVPYCSXDQARIU-BNLOLNQZSA-N 1 0 388.309 4.318 20 0 GIADRO C[C@@H](CS(C)(=O)=O)[NH2+]Cc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1 ZINC000182745657 822361347 /nfs/dbraw/zinc/36/13/47/822361347.db2.gz OILSAWCCNFZROA-ZDUSSCGKSA-N 1 0 387.423 4.020 20 0 GIADRO Cn1c2ccccc2c(Cl)c1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000045080786 822361649 /nfs/dbraw/zinc/36/16/49/822361649.db2.gz PKQHEXRMMWBTLF-INIZCTEOSA-N 1 0 387.936 4.460 20 0 GIADRO CC[C@H](C(=O)N1CCC([NH2+][C@@H](C)c2ccc3c(c2)CCO3)CC1)c1ccccc1 ZINC000178274259 822361918 /nfs/dbraw/zinc/36/19/18/822361918.db2.gz BSADKGMGNKTACG-MBSDFSHPSA-N 1 0 392.543 4.457 20 0 GIADRO Cc1cc(Cl)c2c(c1)[C@H]([NH2+]CCCc1nnc3n1CCCCC3)CCCO2 ZINC000178275806 822362157 /nfs/dbraw/zinc/36/21/57/822362157.db2.gz BECIJDPFAUWIHH-GOSISDBHSA-N 1 0 388.943 4.402 20 0 GIADRO COc1cc(OC)cc(N2CC[C@H]([NH2+][C@H](C)c3ccc4ccccc4n3)C2)c1 ZINC000178276013 822362361 /nfs/dbraw/zinc/36/23/61/822362361.db2.gz WFJDTGIADHQXIS-AEFFLSMTSA-N 1 0 377.488 4.182 20 0 GIADRO CCN(CC)C(=O)c1ccc(NC(=O)C[NH2+][C@@H](C)c2cc(C)sc2C)cc1 ZINC000182756194 822362953 /nfs/dbraw/zinc/36/29/53/822362953.db2.gz AAHSNMDYBDMXIU-HNNXBMFYSA-N 1 0 387.549 4.136 20 0 GIADRO CCOc1ccc([C@H](CC)[NH2+][C@@H](C)C(=O)Nc2cccnc2C)cc1OCC ZINC000453438882 822363116 /nfs/dbraw/zinc/36/31/16/822363116.db2.gz MDUIOALBZCZPEG-WMZOPIPTSA-N 1 0 385.508 4.255 20 0 GIADRO O=C(c1ccc2ncsc2c1)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000178292838 822363990 /nfs/dbraw/zinc/36/39/90/822363990.db2.gz MWDZSBCVRLJQBR-CTNGQTDRSA-N 1 0 391.540 4.423 20 0 GIADRO CCOc1ccc(Cl)cc1[C@H](C)[NH2+]Cc1ccccc1CS(C)(=O)=O ZINC000178298453 822364809 /nfs/dbraw/zinc/36/48/09/822364809.db2.gz DPNRDKBLAAAZLI-AWEZNQCLSA-N 1 0 381.925 4.134 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)Cc1nc2ccccc2s1 ZINC000045132580 822364998 /nfs/dbraw/zinc/36/49/98/822364998.db2.gz LFXCWZRMMZSIAC-UHFFFAOYSA-N 1 0 396.560 4.480 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(Oc2ccccc2)nc1)c1ccc(S(C)(=O)=O)cc1 ZINC000178301560 822364946 /nfs/dbraw/zinc/36/49/46/822364946.db2.gz CZJAKLCIFFASOB-INIZCTEOSA-N 1 0 382.485 4.128 20 0 GIADRO C[C@@H](c1cccc(Br)c1)[NH+]1CCC(CC(=O)N2CCCC2)CC1 ZINC000178302827 822365267 /nfs/dbraw/zinc/36/52/67/822365267.db2.gz UGBJCWSEBWEWEH-HNNXBMFYSA-N 1 0 379.342 4.235 20 0 GIADRO C[C@@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1cccc(-c2ccncc2)c1 ZINC000178302896 822365270 /nfs/dbraw/zinc/36/52/70/822365270.db2.gz PAVVGJJJZHZMOE-QGZVFWFLSA-N 1 0 380.513 4.144 20 0 GIADRO C[C@H](c1cccc(Br)c1)[NH+]1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000178308452 822365808 /nfs/dbraw/zinc/36/58/08/822365808.db2.gz XUBILIQVIFQQOK-MRXNPFEDSA-N 1 0 393.369 4.481 20 0 GIADRO COc1ccc([C@H](Cc2ccncc2)[NH2+][C@H](CO)Cc2ccc(C)c(C)c2)cc1 ZINC000453456642 822367345 /nfs/dbraw/zinc/36/73/45/822367345.db2.gz VARGYWJUDNKDGH-ZCYQVOJMSA-N 1 0 390.527 4.184 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1ccc(NC(=O)OC)cc1 ZINC000045184728 822368468 /nfs/dbraw/zinc/36/84/68/822368468.db2.gz AUCXEHZLLDCIIU-UHFFFAOYSA-N 1 0 384.480 4.028 20 0 GIADRO Cc1cc([C@H](C)[NH2+]Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)c(C)s1 ZINC000178349325 822370132 /nfs/dbraw/zinc/37/01/32/822370132.db2.gz JAPCRIQMSIJHGU-INIZCTEOSA-N 1 0 392.590 4.390 20 0 GIADRO COc1ccc([C@H](C)Nc2cccc(C[NH+]3CCSCC3)c2)cc1NC(C)=O ZINC000182805078 822370533 /nfs/dbraw/zinc/37/05/33/822370533.db2.gz RGQPOHVWHSWNFR-INIZCTEOSA-N 1 0 399.560 4.376 20 0 GIADRO CC(C)Sc1ccc([C@H](C)[NH2+]Cc2cccc([C@@]3(C)NC(=O)NC3=O)c2)cc1 ZINC000178381814 822373376 /nfs/dbraw/zinc/37/33/76/822373376.db2.gz JSROTWAARYZZPZ-OYHNWAKOSA-N 1 0 397.544 4.093 20 0 GIADRO CCOc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(OC(F)F)c(OC)c1)CCO2 ZINC000178388975 822374417 /nfs/dbraw/zinc/37/44/17/822374417.db2.gz NUBGNDLBYYXHSU-INIZCTEOSA-N 1 0 379.403 4.309 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCc2c1cccc2Cl)c1cccc(N2CCCS2(=O)=O)c1 ZINC000178406245 822376342 /nfs/dbraw/zinc/37/63/42/822376342.db2.gz BHKULGKZYNZCPP-VBKZILBWSA-N 1 0 390.936 4.218 20 0 GIADRO C[C@@H]([NH2+]CCSC(F)(F)F)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000178420257 822377535 /nfs/dbraw/zinc/37/75/35/822377535.db2.gz IHEIJYASRICZQV-GFCCVEGCSA-N 1 0 381.485 4.307 20 0 GIADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCc1ccc(Br)cc1 ZINC000178424412 822377982 /nfs/dbraw/zinc/37/79/82/822377982.db2.gz HITYHJMPBKRLAD-GFCCVEGCSA-N 1 0 396.716 4.047 20 0 GIADRO C[N@H+](Cc1ccc(OCc2ccccn2)cc1)Cc1ccc([S@](C)=O)cc1 ZINC000178429547 822378268 /nfs/dbraw/zinc/37/82/68/822378268.db2.gz HNYMCYCXKBMMTM-MHZLTWQESA-N 1 0 380.513 4.030 20 0 GIADRO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@@H]1CCCOC1 ZINC000178428904 822378281 /nfs/dbraw/zinc/37/82/81/822378281.db2.gz PJIRWOVEYXTOSS-NEPJUHHUSA-N 1 0 378.822 4.092 20 0 GIADRO O=C(Nc1ccccc1SC(F)F)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000178432498 822378698 /nfs/dbraw/zinc/37/86/98/822378698.db2.gz YSYHTJRFKAFULY-XJKSGUPXSA-N 1 0 381.492 4.482 20 0 GIADRO CC(C)C[NH+]1CCC(NC(=O)C[C@H](C)c2ccc(Br)cc2)CC1 ZINC000178435711 822378826 /nfs/dbraw/zinc/37/88/26/822378826.db2.gz QSPOEMYYBDXVCY-HNNXBMFYSA-N 1 0 381.358 4.179 20 0 GIADRO O=C(Nc1ccc2c3c(cccc31)CC2)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000178434571 822378923 /nfs/dbraw/zinc/37/89/23/822378923.db2.gz QMUASRODZLOXLQ-GCJKJVERSA-N 1 0 375.516 4.419 20 0 GIADRO COc1ccccc1[C@@H](O)C[NH2+][C@@H](C)c1cnn(-c2cc(C)ccc2C)c1C ZINC000178443832 822379571 /nfs/dbraw/zinc/37/95/71/822379571.db2.gz OSSNUZFPSARLEV-JTSKRJEESA-N 1 0 379.504 4.190 20 0 GIADRO Cc1c([C@H](C)[NH2+]Cc2ccc(N3CCCC3=O)cc2)cnn1-c1ccc(F)cc1 ZINC000178446542 822379819 /nfs/dbraw/zinc/37/98/19/822379819.db2.gz YTCRMRCBNZRMOZ-INIZCTEOSA-N 1 0 392.478 4.297 20 0 GIADRO CCn1cnnc1-c1cccc(N[C@H](C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000182858307 822380331 /nfs/dbraw/zinc/38/03/31/822380331.db2.gz UUUDXBNHPPQLGB-QGZVFWFLSA-N 1 0 379.508 4.079 20 0 GIADRO C[C@@H]([NH2+]CCNC(=O)c1ccccc1F)c1ccc(SCC(F)F)cc1 ZINC000178452118 822380466 /nfs/dbraw/zinc/38/04/66/822380466.db2.gz DNHFXFSEIJFWKE-CYBMUJFWSA-N 1 0 382.451 4.264 20 0 GIADRO Cc1ncc(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)c(C(C)C)n1 ZINC000178465082 822381695 /nfs/dbraw/zinc/38/16/95/822381695.db2.gz KSZNRFGLLBNVJG-UHFFFAOYSA-N 1 0 382.508 4.025 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1c(F)cc(Cl)cc1F ZINC000182863920 822381637 /nfs/dbraw/zinc/38/16/37/822381637.db2.gz XXCGLOFFUXKONU-PXAZEXFGSA-N 1 0 394.853 4.045 20 0 GIADRO CC(=O)Nc1ccc(Cl)c(NC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000182866176 822381793 /nfs/dbraw/zinc/38/17/93/822381793.db2.gz SJQYHHUWOZBELX-ZFWWWQNUSA-N 1 0 392.931 4.073 20 0 GIADRO CC/C(=C\C(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000178484514 822384125 /nfs/dbraw/zinc/38/41/25/822384125.db2.gz ISKXAFSOHLMXRY-FBMGVBCBSA-N 1 0 382.504 4.205 20 0 GIADRO CC(=O)Nc1ccc(C[NH2+][C@@H]2CCCOc3ccc(Br)cc32)cc1 ZINC000178485358 822384173 /nfs/dbraw/zinc/38/41/73/822384173.db2.gz VAWOOIWELAVGRB-GOSISDBHSA-N 1 0 389.293 4.411 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(NS(C)(=O)=O)cc1)c1ccc(OC(F)F)cc1 ZINC000178496979 822385263 /nfs/dbraw/zinc/38/52/63/822385263.db2.gz NNLONZWWDRYFRQ-QWHCGFSZSA-N 1 0 384.448 4.071 20 0 GIADRO Cc1ccc(C(=O)NC2CC[NH+](CC3CC3)CC2)c(Sc2ccccc2)n1 ZINC000178502577 822385731 /nfs/dbraw/zinc/38/57/31/822385731.db2.gz MKGXPMHTFBQYBB-UHFFFAOYSA-N 1 0 381.545 4.145 20 0 GIADRO Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182885201 822385938 /nfs/dbraw/zinc/38/59/38/822385938.db2.gz ZKZYHESAGPJOAU-YJBOKZPZSA-N 1 0 398.526 4.011 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)Nc1ccc(C)cc1C[NH+](C)C ZINC000182886725 822386108 /nfs/dbraw/zinc/38/61/08/822386108.db2.gz CJEOSZUEYXLKAY-ZDUSSCGKSA-N 1 0 396.457 4.174 20 0 GIADRO C[C@H](NC(=O)N1CCCCC[C@@H]1c1ccncc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182886708 822386119 /nfs/dbraw/zinc/38/61/19/822386119.db2.gz MIHOCUUMAVUDMW-CZTZKLFOSA-N 1 0 384.568 4.361 20 0 GIADRO CSc1cc2c(cc1C[NH+]1CCC3(CC1)OCCc1ccccc13)OCCO2 ZINC000453573664 822386413 /nfs/dbraw/zinc/38/64/13/822386413.db2.gz KGXKMPSYVZQCAB-UHFFFAOYSA-N 1 0 397.540 4.244 20 0 GIADRO COc1sc(C[NH2+][C@H](c2cccs2)C(C)(C)CO)cc1Br ZINC000453580223 822387662 /nfs/dbraw/zinc/38/76/62/822387662.db2.gz STVXRTGPNLUDEY-CYBMUJFWSA-N 1 0 390.368 4.430 20 0 GIADRO Cc1cc(Br)c(C[NH+]2CCC(CN3CCCCC3=O)CC2)s1 ZINC000453579610 822387737 /nfs/dbraw/zinc/38/77/37/822387737.db2.gz PMATWAHGUHYRFF-UHFFFAOYSA-N 1 0 385.371 4.044 20 0 GIADRO Oc1ccc(Br)c(C[NH+]2CCC3(CC2)OCCc2ccccc23)c1 ZINC000453579769 822387753 /nfs/dbraw/zinc/38/77/53/822387753.db2.gz SGMYBTRMVGVKDB-UHFFFAOYSA-N 1 0 388.305 4.219 20 0 GIADRO CC(C)(CO)[C@@H]([NH2+]Cc1cc(Br)cc2c1OCC2)c1cccs1 ZINC000453580451 822387875 /nfs/dbraw/zinc/38/78/75/822387875.db2.gz UCVIWADFGFULJB-KRWDZBQOSA-N 1 0 396.350 4.295 20 0 GIADRO C[C@H]([NH2+]CCCc1nnc2n1CCCCC2)[C@H](C)c1nc2ccccc2s1 ZINC000178526365 822388103 /nfs/dbraw/zinc/38/81/03/822388103.db2.gz XCNNTZNCQYFNFQ-HOTGVXAUSA-N 1 0 383.565 4.329 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CCCc1nnc2n1CCCCC2 ZINC000178526861 822388159 /nfs/dbraw/zinc/38/81/59/822388159.db2.gz VGQPAOTXTQEEMB-HNNXBMFYSA-N 1 0 396.564 4.115 20 0 GIADRO COc1c(Br)cccc1C[NH2+][C@H](c1cccs1)C(C)(C)CO ZINC000453581935 822388223 /nfs/dbraw/zinc/38/82/23/822388223.db2.gz VXPWABVFQZSLMW-MRXNPFEDSA-N 1 0 384.339 4.369 20 0 GIADRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccc(C(F)(F)F)nc1Cl ZINC000178528502 822388260 /nfs/dbraw/zinc/38/82/60/822388260.db2.gz LLSSKFQVZHZMNV-OAHLLOKOSA-N 1 0 397.828 4.321 20 0 GIADRO CC(=O)Nc1ccc(OC[C@H](O)C[N@H+](Cc2cc3ccccc3o2)C(C)C)cc1 ZINC000178531512 822388497 /nfs/dbraw/zinc/38/84/97/822388497.db2.gz HJRVMAADILQMAO-HXUWFJFHSA-N 1 0 396.487 4.042 20 0 GIADRO CC[C@@H](NC(=O)NC1CC[NH+](CC(C)C)CC1)c1ccccc1OC(F)F ZINC000045463416 822388858 /nfs/dbraw/zinc/38/88/58/822388858.db2.gz WUGSEVMBOOTULY-QGZVFWFLSA-N 1 0 383.483 4.159 20 0 GIADRO CCOc1c(Br)cc(C[NH2+]CCC2CC(F)(F)C2)cc1OC ZINC000453588192 822389538 /nfs/dbraw/zinc/38/95/38/822389538.db2.gz KWEVCXOHRCFPLZ-UHFFFAOYSA-N 1 0 378.257 4.381 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccc(C(F)(F)F)nc1Cl ZINC000178543886 822390053 /nfs/dbraw/zinc/39/00/53/822390053.db2.gz HMWVCSBAMAUEQY-GFCCVEGCSA-N 1 0 377.838 4.138 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000178544073 822390169 /nfs/dbraw/zinc/39/01/69/822390169.db2.gz NUEQDYISPCVMMC-BEFAXECRSA-N 1 0 379.529 4.347 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)CCSc1nc2ccccc2s1)c1ccsc1 ZINC000045495879 822390663 /nfs/dbraw/zinc/39/06/63/822390663.db2.gz JQDXVZBONAMJPA-HNNXBMFYSA-N 1 0 391.587 4.259 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1ccccc1NC(=O)c1ccsc1)c1ccsc1 ZINC000045495935 822390973 /nfs/dbraw/zinc/39/09/73/822390973.db2.gz OCRAAADJXBNYCL-SFHVURJKSA-N 1 0 399.541 4.095 20 0 GIADRO OCc1ccc(C[NH2+][C@@H]2CCCOc3cc(Br)ccc32)cc1F ZINC000178566098 822392196 /nfs/dbraw/zinc/39/21/96/822392196.db2.gz VTTITVNWCHSHHU-QGZVFWFLSA-N 1 0 380.257 4.084 20 0 GIADRO OCC1([C@H]([NH2+]Cc2cncc(Br)c2)c2ccccc2)CCCC1 ZINC000453610467 822392612 /nfs/dbraw/zinc/39/26/12/822392612.db2.gz HOTQEBIXSVNLST-GOSISDBHSA-N 1 0 375.310 4.228 20 0 GIADRO C[C@@H](NC(=O)N(CCc1cccc(F)c1)C1CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182919370 822392753 /nfs/dbraw/zinc/39/27/53/822392753.db2.gz YUPZUPXZCRUOED-IEBWSBKVSA-N 1 0 387.543 4.195 20 0 GIADRO Cc1nn(C)cc1[C@@H](C)[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000178579521 822393567 /nfs/dbraw/zinc/39/35/67/822393567.db2.gz LIHOLOHATUAKNT-CQSZACIVSA-N 1 0 381.442 4.146 20 0 GIADRO COc1cc(C[NH2+][C@H](C(C)C)C2(CO)CCCC2)ccc1OCc1ccncc1 ZINC000453615353 822393555 /nfs/dbraw/zinc/39/35/55/822393555.db2.gz NEWLCJHBAIOQDJ-HSZRJFAPSA-N 1 0 398.547 4.336 20 0 GIADRO [NH3+]C[C@H]1CCN(C(=O)c2oc3ccccc3c2CSc2ccccc2F)C1 ZINC000178580111 822393849 /nfs/dbraw/zinc/39/38/49/822393849.db2.gz AQXFHYXQONZAJH-CQSZACIVSA-N 1 0 384.476 4.285 20 0 GIADRO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)Nc1ccc2c[nH+]ccc2c1 ZINC000453616343 822393893 /nfs/dbraw/zinc/39/38/93/822393893.db2.gz NRTHYFYTAQFQJB-OAHLLOKOSA-N 1 0 388.471 4.413 20 0 GIADRO C[C@@H]([NH2+]CCCN1CCOC1=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000178585697 822394236 /nfs/dbraw/zinc/39/42/36/822394236.db2.gz GBEJPVQAGULQSI-SNVBAGLBSA-N 1 0 384.320 4.217 20 0 GIADRO O=C(Nc1cccc(C[NH2+]C[C@H]2CCC[C@@H]2O)c1)c1ccc(Cl)cc1Cl ZINC000453622042 822394686 /nfs/dbraw/zinc/39/46/86/822394686.db2.gz ARRONVCEKCJMDI-KUHUBIRLSA-N 1 0 393.314 4.496 20 0 GIADRO Cc1ccc(NC(=O)NC(=O)[C@H](C)[NH+]2CCC(c3ccccc3)CC2)c(C)c1 ZINC000045548764 822395147 /nfs/dbraw/zinc/39/51/47/822395147.db2.gz AFJZTHWRABOEFK-SFHVURJKSA-N 1 0 379.504 4.220 20 0 GIADRO Cc1cccc(C)c1OC[C@@H](C)[NH2+][C@@H](C)CC(=O)Nc1cccnc1Cl ZINC000178597073 822395188 /nfs/dbraw/zinc/39/51/88/822395188.db2.gz GNICKZACAFJPSN-JKSUJKDBSA-N 1 0 375.900 4.126 20 0 GIADRO Cc1ccc(CNC(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)cn1 ZINC000045567847 822395798 /nfs/dbraw/zinc/39/57/98/822395798.db2.gz QXVGWEHWVUUHQD-UHFFFAOYSA-N 1 0 388.515 4.118 20 0 GIADRO Cc1noc(C2CC[NH+](Cc3cc(C)nc(-c4ccc(Cl)cc4)n3)CC2)n1 ZINC000178606711 822395889 /nfs/dbraw/zinc/39/58/89/822395889.db2.gz IIVHVSVPJOVDDG-UHFFFAOYSA-N 1 0 383.883 4.176 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(C(F)(F)F)cc1)c1ccc2ccccc2n1 ZINC000178609439 822396056 /nfs/dbraw/zinc/39/60/56/822396056.db2.gz GPQCEQHBPIMSPK-WMLDXEAASA-N 1 0 390.405 4.344 20 0 GIADRO C[C@@H](NC(=O)N(C)CCOc1ccc(Cl)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182938301 822396463 /nfs/dbraw/zinc/39/64/63/822396463.db2.gz HKLDGROOPKVYLV-IAGOWNOFSA-N 1 0 393.959 4.013 20 0 GIADRO Cc1nnc(-c2ccccc2C(=O)OCC2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000182939542 822396677 /nfs/dbraw/zinc/39/66/77/822396677.db2.gz YZUAYLOFOPJVIM-UHFFFAOYSA-N 1 0 391.471 4.114 20 0 GIADRO CC(C)C(=O)Nc1cccc(NC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000182947948 822398134 /nfs/dbraw/zinc/39/81/34/822398134.db2.gz YTAFBRYEKFWJDN-IAGOWNOFSA-N 1 0 386.540 4.056 20 0 GIADRO Cc1c(C[NH2+][C@H](C)CC(=O)Nc2cccnc2Cl)oc2ccc(F)cc12 ZINC000178641419 822398967 /nfs/dbraw/zinc/39/89/67/822398967.db2.gz PTTLHZVBISJDII-LLVKDONJSA-N 1 0 375.831 4.436 20 0 GIADRO Cc1c([C@H](C)[NH2+]C[C@@H](CCO)c2ccccc2)nnn1-c1cccc(Cl)c1 ZINC000178644046 822399091 /nfs/dbraw/zinc/39/90/91/822399091.db2.gz KTGDEQUYEHNQJN-MAUKXSAKSA-N 1 0 384.911 4.046 20 0 GIADRO OCC[C@@H](C[NH2+][C@H]1CCCOc2c(Br)cccc21)c1ccccc1 ZINC000178648542 822399307 /nfs/dbraw/zinc/39/93/07/822399307.db2.gz AIRRWIRZYIQLQP-LPHOPBHVSA-N 1 0 390.321 4.419 20 0 GIADRO CSc1nnc(CCC[NH2+][C@H]2CCCc3cc(F)ccc32)n1CC(C)C ZINC000182964836 822400963 /nfs/dbraw/zinc/40/09/63/822400963.db2.gz GLVMBHACAXBURP-SFHVURJKSA-N 1 0 376.545 4.395 20 0 GIADRO CC[C@H](C)N(Cc1ccccc1)C(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000453698228 822401525 /nfs/dbraw/zinc/40/15/25/822401525.db2.gz XMODCPBPEHBYMQ-HTAPYJJXSA-N 1 0 393.531 4.001 20 0 GIADRO Cc1ccc(OCCCC(=O)Nc2ccc(C[NH2+][C@H]3CCO[C@@H]3C)cc2)cc1 ZINC000178676716 822401904 /nfs/dbraw/zinc/40/19/04/822401904.db2.gz UGJKPEIKKUVWNX-GCJKJVERSA-N 1 0 382.504 4.060 20 0 GIADRO C[C@H]([NH2+]CC(C)(C)N1CCc2ccccc2C1)c1cccc(N2CCOC2=O)c1 ZINC000178682107 822402496 /nfs/dbraw/zinc/40/24/96/822402496.db2.gz NLIXWXIBQMVYPM-SFHVURJKSA-N 1 0 393.531 4.131 20 0 GIADRO C[NH+](C)CCOc1cccc(CNC(=O)CC2CCC(C(F)(F)F)CC2)c1 ZINC000183002374 822409160 /nfs/dbraw/zinc/40/91/60/822409160.db2.gz JZDUTEHBHCPWDD-UHFFFAOYSA-N 1 0 386.458 4.002 20 0 GIADRO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(N[C@H]2CCCOc3c(Cl)cccc32)c1 ZINC000183006022 822409938 /nfs/dbraw/zinc/40/99/38/822409938.db2.gz HPZXICLIKLWFPU-VQTJNVASSA-N 1 0 399.922 4.116 20 0 GIADRO COCC[NH+]1CCC(N[C@H](c2cccc(OC)c2)c2ccccc2Cl)CC1 ZINC000178791997 822410332 /nfs/dbraw/zinc/41/03/32/822410332.db2.gz URYKSHDBKJPYSO-JOCHJYFZSA-N 1 0 388.939 4.138 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)N2C[C@H](C)C[C@H]2c2cccnc2)CC1 ZINC000183009463 822410602 /nfs/dbraw/zinc/41/06/02/822410602.db2.gz CRWLFDCEVFYVKK-JPYJTQIMSA-N 1 0 392.547 4.147 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)N2C[C@@H](C)C[C@@H]2c2cccnc2)CC1 ZINC000183009441 822410634 /nfs/dbraw/zinc/41/06/34/822410634.db2.gz CRWLFDCEVFYVKK-FDDCHVKYSA-N 1 0 392.547 4.147 20 0 GIADRO CN(Cc1ccc(C(C)(C)C)cc1)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000045756108 822410818 /nfs/dbraw/zinc/41/08/18/822410818.db2.gz XISVCTJKVSNAOR-UHFFFAOYSA-N 1 0 394.563 4.185 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)N2CCc3sccc3[C@@H]2C)CC1 ZINC000045756598 822410885 /nfs/dbraw/zinc/41/08/85/822410885.db2.gz LZXZOWUHJHPMCA-KRWDZBQOSA-N 1 0 383.561 4.350 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)N(C)CCCOc2ccccc2)CC1 ZINC000045757598 822411027 /nfs/dbraw/zinc/41/10/27/822411027.db2.gz BKJBPPWCQSIWPI-UHFFFAOYSA-N 1 0 395.547 4.070 20 0 GIADRO C[C@@H](NC(=O)[C@@H](C)N1CC[NH+](C2CCCC2)CC1)c1ccc(Cl)cc1Cl ZINC000045767668 822411445 /nfs/dbraw/zinc/41/14/45/822411445.db2.gz PVYGIABBZMPMPZ-HUUCEWRRSA-N 1 0 398.378 4.119 20 0 GIADRO O=C(Nc1ncc(Cc2ccccc2)s1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000178806077 822412182 /nfs/dbraw/zinc/41/21/82/822412182.db2.gz LHAIHSIFPBCKSX-PXNSSMCTSA-N 1 0 396.560 4.215 20 0 GIADRO C[C@H]([NH3+])C1CCN(C(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)CC1 ZINC000178809279 822412649 /nfs/dbraw/zinc/41/26/49/822412649.db2.gz LCTRBVUZSMWSJZ-ZDUSSCGKSA-N 1 0 392.425 4.043 20 0 GIADRO COCCN(Cc1ccco1)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000045780049 822412842 /nfs/dbraw/zinc/41/28/42/822412842.db2.gz JGWQVUNBDWCWMW-IBGZPJMESA-N 1 0 399.535 4.012 20 0 GIADRO C[C@@H](c1ccccc1)N(C)C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000045785812 822413531 /nfs/dbraw/zinc/41/35/31/822413531.db2.gz WLPICPOKXXSBQK-ZCNNSNEGSA-N 1 0 395.547 4.198 20 0 GIADRO Cc1cc([C@@H]2CCCN2C(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)no1 ZINC000045787889 822413687 /nfs/dbraw/zinc/41/36/87/822413687.db2.gz KZLOGYXFYYXHBL-JTSKRJEESA-N 1 0 396.535 4.262 20 0 GIADRO CCN(Cc1ccncc1)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000045789379 822414062 /nfs/dbraw/zinc/41/40/62/822414062.db2.gz DDHYGKAIPNADCW-LJQANCHMSA-N 1 0 380.536 4.045 20 0 GIADRO Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)[C@H](C)[C@H]([NH3+])c3ccccc3)cc2)n1 ZINC000178823626 822414093 /nfs/dbraw/zinc/41/40/93/822414093.db2.gz CCYQMXNBAORNMV-FGSXEWAUSA-N 1 0 376.504 4.002 20 0 GIADRO C[C@H]1c2cc3c(cc2C2(CCCC2)C[N@H+]1C[C@H](O)c1ccccc1)OCCO3 ZINC000045793855 822414401 /nfs/dbraw/zinc/41/44/01/822414401.db2.gz WWBKCCYMQXHUIZ-UWJYYQICSA-N 1 0 379.500 4.380 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc(NC(=O)C2CC2)cc1)C(=O)N1CCCc2ccccc21 ZINC000045812384 822415435 /nfs/dbraw/zinc/41/54/35/822415435.db2.gz AEIAMLHRSYKZCL-IAGOWNOFSA-N 1 0 391.515 4.054 20 0 GIADRO Cc1cc(C)cc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)c1 ZINC000045812879 822415731 /nfs/dbraw/zinc/41/57/31/822415731.db2.gz JFINNMIMMSRUAO-SJORKVTESA-N 1 0 379.504 4.330 20 0 GIADRO CC(C)=CCC[C@@H](C)NC(=O)C(=O)Nc1cccc2c1C[N@@H+]([C@H](C)C(C)C)C2 ZINC000453842977 822415761 /nfs/dbraw/zinc/41/57/61/822415761.db2.gz AUPPXDVMTGOHOC-QZTJIDSGSA-N 1 0 385.552 4.236 20 0 GIADRO CC(C)=CCC[C@H](C)NC(=O)C(=O)Nc1cccc2c1C[N@@H+]([C@@H](C)C(C)C)C2 ZINC000453842978 822415770 /nfs/dbraw/zinc/41/57/70/822415770.db2.gz AUPPXDVMTGOHOC-ROUUACIJSA-N 1 0 385.552 4.236 20 0 GIADRO O=C(N[C@@H]1CCSc2ccc(F)cc21)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000178851192 822416454 /nfs/dbraw/zinc/41/64/54/822416454.db2.gz BVFIDNUAEDOSQZ-NIKGAXFTSA-N 1 0 389.540 4.021 20 0 GIADRO COc1cccc([C@@H](CNC(=O)C23CC4CC(CC(C4)C2)C3)[NH+]2CCCC2)c1 ZINC000045872730 822420589 /nfs/dbraw/zinc/42/05/89/822420589.db2.gz VTJXPUNHPBNALX-SOSWSAFESA-N 1 0 382.548 4.165 20 0 GIADRO COc1cc(-c2ccccc2)ccc1CNC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000183078060 822421579 /nfs/dbraw/zinc/42/15/79/822421579.db2.gz VCOLROSABUQDHO-DNQXCXABSA-N 1 0 394.559 4.220 20 0 GIADRO Cc1cc(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)c(C)s1 ZINC000045942265 822425976 /nfs/dbraw/zinc/42/59/76/822425976.db2.gz OODJUAPMILYUCF-UHFFFAOYSA-N 1 0 385.533 4.432 20 0 GIADRO C[NH2+]C[C@@H]1CCN(C(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc32)C1 ZINC000178980505 822426070 /nfs/dbraw/zinc/42/60/70/822426070.db2.gz ZYFMRQUGPUYAPC-ZDUSSCGKSA-N 1 0 385.920 4.298 20 0 GIADRO O=C(NC1CC[NH+](C2CC2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000045946249 822426261 /nfs/dbraw/zinc/42/62/61/822426261.db2.gz NVFUHRORCYSVFE-UHFFFAOYSA-N 1 0 380.332 4.081 20 0 GIADRO Cn1cc(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)c(C2CCCCC2)n1 ZINC000183115460 822426539 /nfs/dbraw/zinc/42/65/39/822426539.db2.gz NPEAWABDFOBHPJ-OAQYLSRUSA-N 1 0 375.557 4.018 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)CC1CCC(C(F)(F)F)CC1 ZINC000183121948 822427360 /nfs/dbraw/zinc/42/73/60/822427360.db2.gz JLVNQOHGWCHTGW-JIZBTBOESA-N 1 0 397.485 4.167 20 0 GIADRO C/C(=C\c1ccc(Cl)cc1)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000178993280 822427381 /nfs/dbraw/zinc/42/73/81/822427381.db2.gz LZTUPTDEKOQNKS-SAPNQHFASA-N 1 0 398.934 4.016 20 0 GIADRO O=S1(=O)CCC[C@@H]([NH2+]Cc2ccccc2-c2ccc(Cl)cc2Cl)C1 ZINC000183124890 822427514 /nfs/dbraw/zinc/42/75/14/822427514.db2.gz PRJKDUPDLVBLEB-OAHLLOKOSA-N 1 0 384.328 4.327 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccccc1-n1cccn1)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000183135854 822429034 /nfs/dbraw/zinc/42/90/34/822429034.db2.gz URCXDJGBYBKGGU-ABSDTBQOSA-N 1 0 394.544 4.337 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)N(C)Cc2cccc(F)c2)cc1 ZINC000183136515 822429068 /nfs/dbraw/zinc/42/90/68/822429068.db2.gz DNOKEXODFQVWNI-DLBZAZTESA-N 1 0 394.494 4.018 20 0 GIADRO C[C@@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccc2c(c1)CCC(=O)N2 ZINC000045980973 822429390 /nfs/dbraw/zinc/42/93/90/822429390.db2.gz YGCMNEIEWFFLBZ-QGZVFWFLSA-N 1 0 391.515 4.048 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)c1 ZINC000045980231 822429405 /nfs/dbraw/zinc/42/94/05/822429405.db2.gz LWFKGUMFOYVBHP-UHFFFAOYSA-N 1 0 394.519 4.199 20 0 GIADRO Cc1cccc([C@H](C)NC(=O)C(=O)Nc2cccc3c2C[N@H+]([C@H](C)C(C)C)C3)c1 ZINC000454113701 822430794 /nfs/dbraw/zinc/43/07/94/822430794.db2.gz XMZDSPDFAJZNFQ-ZWKOTPCHSA-N 1 0 393.531 4.171 20 0 GIADRO Cc1cc(NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)n(Cc2ccccc2)n1 ZINC000045989411 822431362 /nfs/dbraw/zinc/43/13/62/822431362.db2.gz FFYJOQMUAHDZRS-LJQANCHMSA-N 1 0 383.540 4.016 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cc2C)cc1 ZINC000183151482 822431944 /nfs/dbraw/zinc/43/19/44/822431944.db2.gz KNAYQCZVQGNNSL-HNNXBMFYSA-N 1 0 382.895 4.432 20 0 GIADRO C[C@H]1C[C@@H](C(F)(F)F)CCN1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000454130095 822431974 /nfs/dbraw/zinc/43/19/74/822431974.db2.gz AUWOEVFDWADKFP-RDJZCZTQSA-N 1 0 383.458 4.023 20 0 GIADRO CN1CC[C@@H]([NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)[C@@H]1c1ccccc1 ZINC000179045697 822433178 /nfs/dbraw/zinc/43/31/78/822433178.db2.gz HLSINKHCAYWYAD-NQIIRXRSSA-N 1 0 393.512 4.074 20 0 GIADRO CC[NH+]1CCN(CC(C)(C)NC(=O)Nc2c(C(C)C)cccc2C(C)C)CC1 ZINC000454156334 822433809 /nfs/dbraw/zinc/43/38/09/822433809.db2.gz IDTFZMJVQAKCGV-UHFFFAOYSA-N 1 0 388.600 4.471 20 0 GIADRO CC(C)CCOc1ccc(C[NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 ZINC000179058829 822434243 /nfs/dbraw/zinc/43/42/43/822434243.db2.gz CTFZULPINILYOM-JOCHJYFZSA-N 1 0 380.532 4.250 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[C@@H](C(F)(F)F)C[C@H]2C)cc1 ZINC000454174727 822435574 /nfs/dbraw/zinc/43/55/74/822435574.db2.gz WWHYGRJMTDDBMW-CRAIPNDOSA-N 1 0 385.474 4.401 20 0 GIADRO CC(C)[NH+]1CCN(c2ccc(C(=O)N(C)c3cccc4ncccc43)cc2)CC1 ZINC000179079845 822436141 /nfs/dbraw/zinc/43/61/41/822436141.db2.gz ZHFGPPPTJJDDEO-UHFFFAOYSA-N 1 0 388.515 4.042 20 0 GIADRO COCc1ccccc1NC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000046032932 822437143 /nfs/dbraw/zinc/43/71/43/822437143.db2.gz ONCVGLMIJUIEEZ-UHFFFAOYSA-N 1 0 389.499 4.336 20 0 GIADRO COCc1ccccc1NC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000046033150 822437385 /nfs/dbraw/zinc/43/73/85/822437385.db2.gz XFTHEEJBVQHYNE-QFIPXVFZSA-N 1 0 397.519 4.190 20 0 GIADRO O=C(C[NH2+][C@@H]1CCCOc2cc3c(cc21)CCC3)Nc1ccc(F)c(F)c1F ZINC000179099199 822437857 /nfs/dbraw/zinc/43/78/57/822437857.db2.gz KEIVIHCGTAPCGE-MRXNPFEDSA-N 1 0 390.405 4.035 20 0 GIADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)c2ccc(Cl)nc2)cc1 ZINC000179096690 822437890 /nfs/dbraw/zinc/43/78/90/822437890.db2.gz SVVXEHBOVVDCCY-LSDHHAIUSA-N 1 0 395.956 4.177 20 0 GIADRO COc1cc(OC)c(OC)cc1C[NH2+][C@@H]1CCCOc2cc3c(cc21)CCC3 ZINC000179099566 822438188 /nfs/dbraw/zinc/43/81/88/822438188.db2.gz XDZZFQHNEKSVFK-LJQANCHMSA-N 1 0 383.488 4.205 20 0 GIADRO CC(C)n1cc([C@@H](C)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)cn1 ZINC000183188251 822438203 /nfs/dbraw/zinc/43/82/03/822438203.db2.gz UNIVMJGSAPSSDG-GOSISDBHSA-N 1 0 383.540 4.452 20 0 GIADRO Cc1cnc([C@@H](C)CNC(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)s1 ZINC000183193608 822439117 /nfs/dbraw/zinc/43/91/17/822439117.db2.gz UHDAYPVJSVAMCP-IRXDYDNUSA-N 1 0 392.613 4.241 20 0 GIADRO CN(C(=O)c1oc2ccccc2c1CSc1ccccc1F)[C@H]1CC[NH2+]C1 ZINC000179113229 822439692 /nfs/dbraw/zinc/43/96/92/822439692.db2.gz VANFPZIKOVXIQC-AWEZNQCLSA-N 1 0 384.476 4.298 20 0 GIADRO CC[C@H](CNC(=S)Nc1ccc(C(C)=O)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000046106436 822441413 /nfs/dbraw/zinc/44/14/13/822441413.db2.gz YVFZZRGUQYSBMC-OAQYLSRUSA-N 1 0 381.545 4.013 20 0 GIADRO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000454235807 822441842 /nfs/dbraw/zinc/44/18/42/822441842.db2.gz HKHPRKXLKUWSLJ-TZIWHRDSSA-N 1 0 379.504 4.353 20 0 GIADRO CCN(Cc1ccncc1)C(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000046123681 822442552 /nfs/dbraw/zinc/44/25/52/822442552.db2.gz NIHJPACALQQXBZ-PMACEKPBSA-N 1 0 394.563 4.291 20 0 GIADRO C[C@@H](CCc1cccc(F)c1)[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000183220437 822443638 /nfs/dbraw/zinc/44/36/38/822443638.db2.gz WCZCWNWPGPCQRD-INIZCTEOSA-N 1 0 380.467 4.471 20 0 GIADRO O=C(CCOc1ccccc1Cl)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000046147530 822444243 /nfs/dbraw/zinc/44/42/43/822444243.db2.gz LKUWANYJQPEHHX-INIZCTEOSA-N 1 0 378.925 4.124 20 0 GIADRO C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000454259564 822445016 /nfs/dbraw/zinc/44/50/16/822445016.db2.gz GYOARCSNFNIHLO-AEFFLSMTSA-N 1 0 397.485 4.066 20 0 GIADRO CN(C(=O)Nc1cccc(Cl)c1F)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000454264801 822446037 /nfs/dbraw/zinc/44/60/37/822446037.db2.gz VVZKBSHWMUOPOC-UHFFFAOYSA-N 1 0 381.801 4.360 20 0 GIADRO COc1cccc([C@H]2[C@@H](NC(=O)c3cccc(C(F)F)c3)CC[N@@H+]2C2CC2)c1 ZINC000183238574 822446350 /nfs/dbraw/zinc/44/63/50/822446350.db2.gz GTEOVJMWDLVBPH-PMACEKPBSA-N 1 0 386.442 4.341 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)Nc2cccnc2Br)CC1 ZINC000183243802 822447575 /nfs/dbraw/zinc/44/75/75/822447575.db2.gz RSEOYGQOCAPABW-UHFFFAOYSA-N 1 0 397.361 4.210 20 0 GIADRO Cn1ccnc1[C@H]([NH2+]C[C@@H](c1ccccc1)N1CCc2sccc2C1)C1CC1 ZINC000183248318 822448199 /nfs/dbraw/zinc/44/81/99/822448199.db2.gz ARFDTPXXZQOQLE-RBBKRZOGSA-N 1 0 392.572 4.322 20 0 GIADRO O=C1[C@@H]([NH2+][C@@H]2CCCc3cc(SC(F)F)ccc32)CCN1CC(F)(F)F ZINC000183249402 822448401 /nfs/dbraw/zinc/44/84/01/822448401.db2.gz XTBIVMOCQWVSEO-KGLIPLIRSA-N 1 0 394.409 4.132 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000046195977 822448831 /nfs/dbraw/zinc/44/88/31/822448831.db2.gz RHFWRAVPHXAPJK-UHFFFAOYSA-N 1 0 392.421 4.022 20 0 GIADRO C[C@H](N[C@H](C[NH+]1CCCC1)c1ccccc1)c1ncc(Br)s1 ZINC000179197387 822449525 /nfs/dbraw/zinc/44/95/25/822449525.db2.gz ZFBIPVWIMKOBRZ-DZGCQCFKSA-N 1 0 380.355 4.393 20 0 GIADRO C[C@@H](N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1cccc(F)c1F ZINC000183258696 822449592 /nfs/dbraw/zinc/44/95/92/822449592.db2.gz FZHXHYNAOYTSNL-CABCVRRESA-N 1 0 377.454 4.268 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCc1cc(C2CC2)ccc1F ZINC000454281630 822450138 /nfs/dbraw/zinc/45/01/38/822450138.db2.gz UTNPIQGEQRQTRD-UHFFFAOYSA-N 1 0 396.510 4.085 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCc2c1cccc2Br)c1ccc(S(C)(=O)=O)cc1 ZINC000179203653 822450567 /nfs/dbraw/zinc/45/05/67/822450567.db2.gz QPUGSCCZEZZDCT-XIKOKIGWSA-N 1 0 394.334 4.191 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)N[C@H](CCO)c2cccc(C(F)(F)F)c2)c1 ZINC000454286075 822451373 /nfs/dbraw/zinc/45/13/73/822451373.db2.gz IFZUEACDPBMBGO-GOSISDBHSA-N 1 0 395.425 4.012 20 0 GIADRO CC1(C)CN(C(=O)Nc2ccccn2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000454289983 822452056 /nfs/dbraw/zinc/45/20/56/822452056.db2.gz CXNSZSSBOXDTNO-OAQYLSRUSA-N 1 0 378.520 4.236 20 0 GIADRO COc1cccc([C@@H]2[C@@H](NC(=O)c3coc4ccccc34)CC[N@@H+]2C2CC2)c1 ZINC000183274458 822452077 /nfs/dbraw/zinc/45/20/77/822452077.db2.gz NHAYLUARZXQMCM-RBBKRZOGSA-N 1 0 376.456 4.149 20 0 GIADRO C[C@@H]1CN(C(=O)Nc2nc(C(F)(F)F)cs2)CC[N@H+](Cc2ccccc2)C1 ZINC000454300633 822454320 /nfs/dbraw/zinc/45/43/20/822454320.db2.gz JUZPYCLXNGJVKI-ZDUSSCGKSA-N 1 0 398.454 4.148 20 0 GIADRO O=C(NCc1ccccc1OCc1ccccc1)NC1CC[NH+](C2CCC2)CC1 ZINC000454301083 822454570 /nfs/dbraw/zinc/45/45/70/822454570.db2.gz UBIXDNGTEAROGQ-UHFFFAOYSA-N 1 0 393.531 4.082 20 0 GIADRO C[C@H]([NH2+][C@H]1CCCN(c2cccc(F)c2)C1)c1ncc(Br)s1 ZINC000179231652 822454629 /nfs/dbraw/zinc/45/46/29/822454629.db2.gz LYXGHBXRQPVNEG-AAEUAGOBSA-N 1 0 384.318 4.364 20 0 GIADRO COCc1cccc(C[N@@H+]2CCC[C@@H](CNC(=O)Nc3ccc(C)cc3)C2)c1 ZINC000179235573 822455385 /nfs/dbraw/zinc/45/53/85/822455385.db2.gz PAJWGABVZFSZQW-NRFANRHFSA-N 1 0 381.520 4.175 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CC(c2cccc(Cl)c2)C1 ZINC000454308223 822455586 /nfs/dbraw/zinc/45/55/86/822455586.db2.gz DIMMCRURMOPSIV-UHFFFAOYSA-N 1 0 383.923 4.113 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CC[C@@H](C(F)(F)F)C[C@@H]1C ZINC000454324224 822458022 /nfs/dbraw/zinc/45/80/22/822458022.db2.gz VJJYGQVSBWWVNN-MAUKXSAKSA-N 1 0 385.474 4.399 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+][C@H]2CCN(c3ccc(Cl)cc3)C2)s1 ZINC000183332220 822459996 /nfs/dbraw/zinc/45/99/96/822459996.db2.gz ZUZIKDGCBBSEGU-BBRMVZONSA-N 1 0 379.957 4.223 20 0 GIADRO Cc1sc(CC[NH2+]C2CCN(CC(F)(F)F)CC2)nc1-c1ccccc1 ZINC000183332490 822460034 /nfs/dbraw/zinc/46/00/34/822460034.db2.gz NQJGOEQZLHHWAA-UHFFFAOYSA-N 1 0 383.483 4.277 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)N(C)C[C@@H](C)c1nccs1 ZINC000183338388 822460853 /nfs/dbraw/zinc/46/08/53/822460853.db2.gz KLIXHKPIGJZEEI-MRXNPFEDSA-N 1 0 390.553 4.131 20 0 GIADRO CCOc1ccc(-c2nc(C)c(C(=O)NC3CC[NH+](C(C)C)CC3)s2)cc1 ZINC000046320030 822461246 /nfs/dbraw/zinc/46/12/46/822461246.db2.gz RXMJAFYHZYBWNS-UHFFFAOYSA-N 1 0 387.549 4.120 20 0 GIADRO Cc1ccccc1-n1ncc(C(=O)NCC[NH+](C(C)C)C(C)C)c1C(F)(F)F ZINC000046320540 822461291 /nfs/dbraw/zinc/46/12/91/822461291.db2.gz ILFJCJXZRFPGER-UHFFFAOYSA-N 1 0 396.457 4.048 20 0 GIADRO COc1ccccc1/C=C(/C(=O)NC1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000046319955 822461312 /nfs/dbraw/zinc/46/13/12/822461312.db2.gz ZKPVDTXSKWHOSZ-OQKWZONESA-N 1 0 378.516 4.225 20 0 GIADRO COC(=O)COc1ccccc1[C@H](C)[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000183358404 822463207 /nfs/dbraw/zinc/46/32/07/822463207.db2.gz XAEMHCNVSLHPQJ-KBPBESRZSA-N 1 0 379.403 4.252 20 0 GIADRO CCOc1ccc(C[NH+]2CCC(C(=O)NCc3ccccc3)CC2)cc1OCC ZINC000183360113 822463549 /nfs/dbraw/zinc/46/35/49/822463549.db2.gz ZDXUYUIJVJCNCJ-UHFFFAOYSA-N 1 0 396.531 4.012 20 0 GIADRO CCOc1ccc([C@H](C)NC(=O)C[NH2+][C@@H](C)[C@@H](C)c2ccccc2)cc1OC ZINC000183362888 822463848 /nfs/dbraw/zinc/46/38/48/822463848.db2.gz KOMVOYHWZLFMFM-SQNIBIBYSA-N 1 0 384.520 4.053 20 0 GIADRO CCO[C@@H](C)c1nc(CN2CC[NH+](Cc3cccc4cnccc43)CC2)cs1 ZINC000183364392 822464041 /nfs/dbraw/zinc/46/40/41/822464041.db2.gz OOWYGBWNKBRXFW-KRWDZBQOSA-N 1 0 396.560 4.107 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)Nc2ccc3c(c2)CN(CC(F)(F)F)C3)c1 ZINC000454372209 822464140 /nfs/dbraw/zinc/46/41/40/822464140.db2.gz HREBKPVZSQHIQG-UHFFFAOYSA-N 1 0 392.425 4.270 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1)c1ccsc1 ZINC000046346439 822464399 /nfs/dbraw/zinc/46/43/99/822464399.db2.gz HEFZRVUXLONHBD-CRAIPNDOSA-N 1 0 398.532 4.081 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)N1CCC[C@H](c2nc3ccccc3o2)C1)c1ccsc1 ZINC000046346433 822464438 /nfs/dbraw/zinc/46/44/38/822464438.db2.gz HEFZRVUXLONHBD-YJBOKZPZSA-N 1 0 398.532 4.081 20 0 GIADRO C[NH+](C)CCOc1ccc(CN[C@@H](c2ccccc2)c2ccc(F)cn2)cc1 ZINC000183368646 822464522 /nfs/dbraw/zinc/46/45/22/822464522.db2.gz ICJKTADLDRVFBT-QHCPKHFHSA-N 1 0 379.479 4.040 20 0 GIADRO CC1(CNC(=O)c2ccc(-c3ccc(OC(F)F)cc3)s2)CC[NH2+]CC1 ZINC000183382958 822466596 /nfs/dbraw/zinc/46/65/96/822466596.db2.gz SJZHLPPIFBPYLD-UHFFFAOYSA-N 1 0 380.460 4.136 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000454386834 822466926 /nfs/dbraw/zinc/46/69/26/822466926.db2.gz QIZCXBQOYBFXLV-UHFFFAOYSA-N 1 0 375.513 4.360 20 0 GIADRO Cc1onc(-c2ccccc2)c1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000046375340 822467250 /nfs/dbraw/zinc/46/72/50/822467250.db2.gz YLIHJYPFGFHPDL-UHFFFAOYSA-N 1 0 375.472 4.176 20 0 GIADRO CO[C@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CC1(C)C ZINC000454401914 822469648 /nfs/dbraw/zinc/46/96/48/822469648.db2.gz AVZLKPODEUVNEP-NRFANRHFSA-N 1 0 387.568 4.019 20 0 GIADRO Cc1ccc(SCCC(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)cc1 ZINC000046404158 822470619 /nfs/dbraw/zinc/47/06/19/822470619.db2.gz WTXYRDPQZNNEGD-UHFFFAOYSA-N 1 0 383.561 4.258 20 0 GIADRO Cc1cccc(N2CC[NH+](CCCNC(=S)Nc3ccc(C)cc3C)CC2)c1 ZINC000046416734 822471446 /nfs/dbraw/zinc/47/14/46/822471446.db2.gz CAXWVWJTMNEPNN-UHFFFAOYSA-N 1 0 396.604 4.111 20 0 GIADRO CCO[C@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C[C@@H]1C ZINC000454415548 822471940 /nfs/dbraw/zinc/47/19/40/822471940.db2.gz ZPHHPKNBBBDLLK-UGKGYDQZSA-N 1 0 387.568 4.019 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)Nc1ccc2c(c1)CCCO2 ZINC000179375654 822473320 /nfs/dbraw/zinc/47/33/20/822473320.db2.gz NXUIKMVVVCPIEA-UHFFFAOYSA-N 1 0 394.519 4.177 20 0 GIADRO C[C@@H](NC(=O)Nc1cccc(COCC2CC2)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183441515 822475340 /nfs/dbraw/zinc/47/53/40/822475340.db2.gz FWCBPJFWOOQKBU-YLJYHZDGSA-N 1 0 385.552 4.388 20 0 GIADRO CCS[C@@H](C)c1noc(CN(C)CCC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000179389198 822475527 /nfs/dbraw/zinc/47/55/27/822475527.db2.gz DPQXWABDKFLHLH-INIZCTEOSA-N 1 0 389.569 4.017 20 0 GIADRO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cnc2ccc(F)cc2c1 ZINC000179391227 822475810 /nfs/dbraw/zinc/47/58/10/822475810.db2.gz MGZSUPNAXYTQBD-FRIKZZABSA-N 1 0 389.474 4.299 20 0 GIADRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C[C@@H]2CCN(c3ccc(F)cc3)C2)CC1 ZINC000183445324 822476104 /nfs/dbraw/zinc/47/61/04/822476104.db2.gz LIYPWBMMPRXAQC-PKOBYXMFSA-N 1 0 391.531 4.031 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)Cc1nccn1Cc1ccccc1 ZINC000179397334 822476855 /nfs/dbraw/zinc/47/68/55/822476855.db2.gz QHHIGFIBGSAYEU-UHFFFAOYSA-N 1 0 389.547 4.065 20 0 GIADRO Cc1ccc(NC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1OCC(F)F ZINC000183456199 822477665 /nfs/dbraw/zinc/47/76/65/822477665.db2.gz GEOJEKBNGDMAJV-HZPDHXFCSA-N 1 0 395.494 4.413 20 0 GIADRO Cc1cc(NC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)cnc1Cl ZINC000179403285 822477856 /nfs/dbraw/zinc/47/78/56/822477856.db2.gz QAWYCTQUOUQMQH-UHFFFAOYSA-N 1 0 387.915 4.209 20 0 GIADRO Cc1ccc(NC(=O)COc2ccc(CC[NH2+][C@@H]3CCCSC3)cc2)cc1 ZINC000183459990 822478326 /nfs/dbraw/zinc/47/83/26/822478326.db2.gz JBQUEAVDWUPOFC-HXUWFJFHSA-N 1 0 384.545 4.040 20 0 GIADRO CC(C)(CNC(=O)NC1CC[NH+](C2CCC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000454457518 822478810 /nfs/dbraw/zinc/47/88/10/822478810.db2.gz WKDSTGBXXNPRSO-UHFFFAOYSA-N 1 0 397.485 4.299 20 0 GIADRO Cc1cc2ncc([C@H](C)[NH2+]Cc3ccnc(OC4CCCCC4)c3)c(C)n2n1 ZINC000179418178 822479727 /nfs/dbraw/zinc/47/97/27/822479727.db2.gz MSBHQSDDUNDXFP-INIZCTEOSA-N 1 0 379.508 4.303 20 0 GIADRO COc1ccc(C[NH2+][C@@H](C)c2cnc3cc(C)nn3c2C)c(C(F)(F)F)c1 ZINC000179420954 822479902 /nfs/dbraw/zinc/47/99/02/822479902.db2.gz NZMUMCBQKOLKOQ-LBPRGKRZSA-N 1 0 378.398 4.224 20 0 GIADRO C[C@H](NC(=O)Nc1ccc(N(C)C)c(Cl)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183475362 822481111 /nfs/dbraw/zinc/48/11/11/822481111.db2.gz ZDDJHTVALQQIRT-LSDHHAIUSA-N 1 0 378.948 4.181 20 0 GIADRO Cc1cc2ncc([C@H](C)[NH2+]C[C@@H](O)c3ccc(Cl)cc3Cl)c(C)n2n1 ZINC000179428505 822481228 /nfs/dbraw/zinc/48/12/28/822481228.db2.gz ZNZYBOAMFGPRTR-APPDUMDISA-N 1 0 379.291 4.037 20 0 GIADRO Cc1cc2ncc([C@H](C)[NH2+]C[C@@H]3CCCN(C)[C@@H]3c3cccs3)c(C)n2n1 ZINC000179435146 822482239 /nfs/dbraw/zinc/48/22/39/822482239.db2.gz FRFDIMGGWSMLTN-WJPUGNRLSA-N 1 0 383.565 4.141 20 0 GIADRO Cc1nn(C)c(C)c1CCC[NH2+][C@@H](c1ccc(Br)cc1)C1CC1 ZINC000183486060 822483800 /nfs/dbraw/zinc/48/38/00/822483800.db2.gz OWOLXPKMVAESCB-LJQANCHMSA-N 1 0 376.342 4.473 20 0 GIADRO COc1ccc([C@@H](CNC(=O)NCc2ccc(C)cc2)[NH+]2CCCCC2)cc1 ZINC000046541298 822484448 /nfs/dbraw/zinc/48/44/48/822484448.db2.gz YNRRCLIRJVRGTI-JOCHJYFZSA-N 1 0 381.520 4.030 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1cc2cc(F)ccc2[nH]1)c1cccc(OC)c1 ZINC000046550541 822485052 /nfs/dbraw/zinc/48/50/52/822485052.db2.gz GNZGEAWZEFQRQN-NRFANRHFSA-N 1 0 383.467 4.129 20 0 GIADRO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(-c3nccs3)cc2)[C@@H]1c1ccccc1 ZINC000179463268 822486334 /nfs/dbraw/zinc/48/63/34/822486334.db2.gz SGFXYDXNYNFYDV-MOPGFXCFSA-N 1 0 378.501 4.377 20 0 GIADRO CC(C)(CCc1ccccc1)NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179461902 822486370 /nfs/dbraw/zinc/48/63/70/822486370.db2.gz MPPTZTXXNUAFBL-UHFFFAOYSA-N 1 0 380.536 4.009 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)NC[C@H](C)c1ncc(C)s1 ZINC000183501902 822486723 /nfs/dbraw/zinc/48/67/23/822486723.db2.gz RRQIITGTWMEKAF-HNNXBMFYSA-N 1 0 390.553 4.097 20 0 GIADRO C[N@@H+]1CC[C@H](NC(=O)Nc2ccccc2N2CCCCC2)[C@@H]1c1ccccc1 ZINC000179470732 822487475 /nfs/dbraw/zinc/48/74/75/822487475.db2.gz MEISIARJMCYICE-UNMCSNQZSA-N 1 0 378.520 4.244 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)s1 ZINC000183510974 822487890 /nfs/dbraw/zinc/48/78/90/822487890.db2.gz IJAHLFMOWOZGOH-XHBKTUGNSA-N 1 0 380.941 4.475 20 0 GIADRO C[C@H](NC(=O)Nc1ccc2nc(C3CC3)oc2c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183511755 822488027 /nfs/dbraw/zinc/48/80/27/822488027.db2.gz MEHIJXVRISJPPB-HOCLYGCPSA-N 1 0 382.508 4.480 20 0 GIADRO COc1cccc(C[C@H]([NH2+]C[C@H](C)c2nc(-c3ccccc3)no2)C2CC2)c1 ZINC000179477868 822488180 /nfs/dbraw/zinc/48/81/80/822488180.db2.gz GIJMLHMLLURWTN-KKSFZXQISA-N 1 0 377.488 4.460 20 0 GIADRO CO[C@@](C)(CNC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccccc1 ZINC000454512695 822488164 /nfs/dbraw/zinc/48/81/64/822488164.db2.gz HTDOIDKPAHNVOZ-CYFREDJKSA-N 1 0 395.547 4.073 20 0 GIADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000183513685 822488420 /nfs/dbraw/zinc/48/84/20/822488420.db2.gz YAQFRJVRJOSXIX-CDHAZOANSA-N 1 0 394.302 4.225 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+]C[C@@H](C)c2nc(-c3ccccc3)no2)s1 ZINC000179479840 822488769 /nfs/dbraw/zinc/48/87/69/822488769.db2.gz ATUZPULZINFWPU-KGLIPLIRSA-N 1 0 386.521 4.145 20 0 GIADRO Cc1coc(-c2cccc(NC(=O)N[C@@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)c2)n1 ZINC000183519221 822489046 /nfs/dbraw/zinc/48/90/46/822489046.db2.gz UOZYRNMMFKMIKQ-WMZOPIPTSA-N 1 0 382.508 4.425 20 0 GIADRO CC(C)[C@H](NC(=O)N1CCC(CCC[NH+](C)C)CC1)c1nc2ccccc2[nH]1 ZINC000179483145 822489307 /nfs/dbraw/zinc/48/93/07/822489307.db2.gz IDURXZRATJCXJH-FQEVSTJZSA-N 1 0 385.556 4.023 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)Cc3cccc4cccnc43)cc2)C1 ZINC000046596484 822489717 /nfs/dbraw/zinc/48/97/17/822489717.db2.gz HJPPEUXTGOCVNR-IBGZPJMESA-N 1 0 387.527 4.326 20 0 GIADRO CN(C(=O)c1cccc(NC(=O)NC(C)(C)CCC[NH+](C)C)c1)c1ccccc1 ZINC000454518529 822489909 /nfs/dbraw/zinc/48/99/09/822489909.db2.gz HCVCRAJBHTYFQM-UHFFFAOYSA-N 1 0 396.535 4.205 20 0 GIADRO Cc1ccc(NC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1-c1ncco1 ZINC000183526878 822490004 /nfs/dbraw/zinc/49/00/04/822490004.db2.gz COZWGFLJUAZZTR-SJORKVTESA-N 1 0 382.508 4.425 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccccc3F)C2)cc(OC)c1OC ZINC000179500607 822492066 /nfs/dbraw/zinc/49/20/66/822492066.db2.gz RTQUXHFUMOIPIV-NVXWUHKLSA-N 1 0 388.483 4.171 20 0 GIADRO O=C1Nc2ccccc2C12CCC([NH2+][C@@H]1CCCN(c3ccccc3F)C1)CC2 ZINC000179500002 822492137 /nfs/dbraw/zinc/49/21/37/822492137.db2.gz QOCZKYAPFPLADK-RKDDFOCISA-N 1 0 393.506 4.217 20 0 GIADRO COc1cc([C@H](C)[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)ccc1OC(F)F ZINC000179502716 822492499 /nfs/dbraw/zinc/49/24/99/822492499.db2.gz QDMGRMYDKCIZHY-ZUZCIYMTSA-N 1 0 389.801 4.473 20 0 GIADRO COc1ccc(CC[NH2+][C@H](c2ccccc2)c2ccc(F)cn2)c(OC)c1OC ZINC000183548283 822493404 /nfs/dbraw/zinc/49/34/04/822493404.db2.gz SDETYUOTQVPGOS-OAQYLSRUSA-N 1 0 396.462 4.168 20 0 GIADRO Clc1ccc(-c2cc(C[N@@H+]3CCC[C@@H](c4nnc(C5CC5)[nH]4)C3)on2)cc1 ZINC000179510772 822493704 /nfs/dbraw/zinc/49/37/04/822493704.db2.gz DYIPDRWWFCPEPI-OAHLLOKOSA-N 1 0 383.883 4.370 20 0 GIADRO COc1ccccc1OC[C@H](C)C[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000179512279 822493853 /nfs/dbraw/zinc/49/38/53/822493853.db2.gz QQZNZAHFKKWLLR-SJORKVTESA-N 1 0 384.476 4.018 20 0 GIADRO COc1ccccc1OC[C@H](C)C[NH2+][C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000179513228 822494086 /nfs/dbraw/zinc/49/40/86/822494086.db2.gz LMXLIWGTTSXNAP-IAGOWNOFSA-N 1 0 397.519 4.345 20 0 GIADRO C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H](C)c1ccc(SC(F)F)cc1 ZINC000179516864 822495132 /nfs/dbraw/zinc/49/51/32/822495132.db2.gz SUZQRZXRRBAGTP-KBPBESRZSA-N 1 0 389.471 4.451 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)Cn1ncc2ccccc2c1=O)c1cccc(OC(F)(F)F)c1 ZINC000179517480 822495280 /nfs/dbraw/zinc/49/52/80/822495280.db2.gz RMSHUXPYEQCNLJ-UONOGXRCSA-N 1 0 391.393 4.034 20 0 GIADRO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000179517364 822495335 /nfs/dbraw/zinc/49/53/35/822495335.db2.gz POZPARFHTZBFNG-CHWSQXEVSA-N 1 0 376.287 4.443 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]Cc1cccnc1OCC(F)F ZINC000179522477 822496518 /nfs/dbraw/zinc/49/65/18/822496518.db2.gz DVSTZFOHYLBOBW-LBPRGKRZSA-N 1 0 390.459 4.403 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+][C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)s1 ZINC000179525385 822496963 /nfs/dbraw/zinc/49/69/63/822496963.db2.gz DCUOFWLCIAEERU-GXTWGEPZSA-N 1 0 397.947 4.362 20 0 GIADRO Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000179526827 822497081 /nfs/dbraw/zinc/49/70/81/822497081.db2.gz SVXNEMRVUDQICC-AWEZNQCLSA-N 1 0 388.231 4.369 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)c1cccc(Br)c1)c1cccc(-n2cccn2)c1 ZINC000183581104 822497393 /nfs/dbraw/zinc/49/73/93/822497393.db2.gz QTVWHNJNCPUCLZ-LIRRHRJNSA-N 1 0 386.293 4.019 20 0 GIADRO C[C@@H](NC(=O)C[NH2+][C@@H](C)c1cccc(-n2cccn2)c1)c1ccc(Cl)cc1 ZINC000183585798 822497737 /nfs/dbraw/zinc/49/77/37/822497737.db2.gz RLMXQXIGAWAWGC-JKSUJKDBSA-N 1 0 382.895 4.054 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)c1ccccc1Br)c1cccc(-n2cccn2)c1 ZINC000183590208 822498219 /nfs/dbraw/zinc/49/82/19/822498219.db2.gz HXRXXJHZDXJJEI-IFXJQAMLSA-N 1 0 386.293 4.019 20 0 GIADRO CC(C)[C@@H]([NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1nc(C2CC2)no1 ZINC000183604948 822500172 /nfs/dbraw/zinc/50/01/72/822500172.db2.gz OKUPPAGSWUCFIG-JKSUJKDBSA-N 1 0 378.517 4.023 20 0 GIADRO C[NH+](C)C[C@H]1CCN(C(=O)c2ccc(-c3ccc(Br)s3)s2)C1 ZINC000183608181 822500553 /nfs/dbraw/zinc/50/05/53/822500553.db2.gz PYACXHORVATHCY-LLVKDONJSA-N 1 0 399.379 4.263 20 0 GIADRO C[C@@H]([NH2+]CC1(c2ccc(F)cc2Cl)CC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000179554384 822502583 /nfs/dbraw/zinc/50/25/83/822502583.db2.gz ZEMGLDUXLXXNJC-GFCCVEGCSA-N 1 0 399.890 4.404 20 0 GIADRO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H](C)c2cccc(F)c2F)c(OC)c1 ZINC000179558491 822503452 /nfs/dbraw/zinc/50/34/52/822503452.db2.gz HRXLUWNAYWRQLQ-STQMWFEESA-N 1 0 378.419 4.050 20 0 GIADRO CC(C)(C[NH2+][C@H](c1ccc(Cl)cc1)c1ccc(OC(F)F)cc1)C(N)=O ZINC000183642152 822505400 /nfs/dbraw/zinc/50/54/00/822505400.db2.gz DOTZFBLIMBFLIN-MRXNPFEDSA-N 1 0 382.838 4.132 20 0 GIADRO COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000179577180 822506148 /nfs/dbraw/zinc/50/61/48/822506148.db2.gz FIIWJPKJAZYBAW-QLFBSQMISA-N 1 0 392.446 4.213 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)NC[C@H]2CCCCC2(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000454615400 822506703 /nfs/dbraw/zinc/50/67/03/822506703.db2.gz ZVDMBIREOPCXNY-BHIYHBOVSA-N 1 0 379.495 4.164 20 0 GIADRO Cc1nn(-c2ccccc2)cc1NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000183659282 822507014 /nfs/dbraw/zinc/50/70/14/822507014.db2.gz JCRQUYDXYJTOLI-QFIPXVFZSA-N 1 0 389.503 4.139 20 0 GIADRO COc1ccc(NC(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)cc1CO ZINC000179589811 822508109 /nfs/dbraw/zinc/50/81/09/822508109.db2.gz AUGQPRKFICRLEB-UHFFFAOYSA-N 1 0 390.483 4.072 20 0 GIADRO C[C@@H](Cn1cc(Br)cn1)[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000179589891 822508169 /nfs/dbraw/zinc/50/81/69/822508169.db2.gz BBXLXTDEZHWGCN-HZMBPMFUSA-N 1 0 394.210 4.457 20 0 GIADRO COc1ccc(C)cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000179594979 822509428 /nfs/dbraw/zinc/50/94/28/822509428.db2.gz BKZRKVFYBVCDBQ-KGLIPLIRSA-N 1 0 378.419 4.283 20 0 GIADRO Cc1cccc(C(C)(C)[NH2+]CC(=O)N[C@@H](c2nccs2)c2ccccc2)c1 ZINC000179598046 822509766 /nfs/dbraw/zinc/50/97/66/822509766.db2.gz KTILDRFRKSTDDD-HXUWFJFHSA-N 1 0 379.529 4.182 20 0 GIADRO CC(C)C[C@H]([NH2+][C@H](C)c1ccc2c(c1)OCCCO2)C(=O)Nc1nccs1 ZINC000179599679 822510219 /nfs/dbraw/zinc/51/02/19/822510219.db2.gz QAOLQYFSJDUIKE-ZBFHGGJFSA-N 1 0 389.521 4.008 20 0 GIADRO CC(C)C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCCO2)C(=O)Nc1nccs1 ZINC000179599658 822510322 /nfs/dbraw/zinc/51/03/22/822510322.db2.gz QAOLQYFSJDUIKE-HOCLYGCPSA-N 1 0 389.521 4.008 20 0 GIADRO CC(C)C[C@H]([NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1)C(=O)Nc1nccs1 ZINC000179600375 822510537 /nfs/dbraw/zinc/51/05/37/822510537.db2.gz FANJEBVRFNAPCQ-YJBOKZPZSA-N 1 0 383.521 4.033 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)C(F)F)cc1)c1ccc(OC(F)F)cc1 ZINC000179603528 822511157 /nfs/dbraw/zinc/51/11/57/822511157.db2.gz GMYLNCHODIMYLN-NSHDSACASA-N 1 0 391.386 4.135 20 0 GIADRO Cc1ccc(NC(=O)NCC[C@H](C)[NH+]2CCCCC2)cc1NC(=O)C(C)(C)C ZINC000183685690 822511172 /nfs/dbraw/zinc/51/11/72/822511172.db2.gz ADYHCRCIBPJARW-KRWDZBQOSA-N 1 0 388.556 4.366 20 0 GIADRO CC(C)c1cnc(C[NH2+][C@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)s1 ZINC000183686557 822511270 /nfs/dbraw/zinc/51/12/70/822511270.db2.gz BGBMTPWGODTCCH-MRXNPFEDSA-N 1 0 386.565 4.374 20 0 GIADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cccc(C(=O)Nc2ccccc2)c1C ZINC000454648122 822511894 /nfs/dbraw/zinc/51/18/94/822511894.db2.gz YTZNFTIIWCCHMU-IBGZPJMESA-N 1 0 394.519 4.243 20 0 GIADRO COC(=O)c1ccc(Cl)c(C[NH2+][C@@H](C)c2ccc(-n3ccnc3C)cc2)c1 ZINC000183690299 822512146 /nfs/dbraw/zinc/51/21/46/822512146.db2.gz FOQSNQGOLMXSRP-AWEZNQCLSA-N 1 0 383.879 4.472 20 0 GIADRO COC(=O)COc1ccccc1[C@H](C)[NH2+]C[C@H]1CCCO[C@H]1c1ccc(C)cc1 ZINC000183691447 822512280 /nfs/dbraw/zinc/51/22/80/822512280.db2.gz BBYSYCVSUUDPPC-NRYAXDJKSA-N 1 0 397.515 4.365 20 0 GIADRO O=C(NCCCC[NH+]1CCCC1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000046749761 822512784 /nfs/dbraw/zinc/51/27/84/822512784.db2.gz KAMPCPOMERFMJZ-UHFFFAOYSA-N 1 0 386.565 4.061 20 0 GIADRO CNC(=O)c1ccc(C[N@H+](C)Cc2ccc(Cl)c(Br)c2)cc1 ZINC000179614522 822513138 /nfs/dbraw/zinc/51/31/38/822513138.db2.gz YRNZIUULAJBZAO-UHFFFAOYSA-N 1 0 381.701 4.094 20 0 GIADRO CC(C)[C@@H]([NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1)c1ccccc1Cl ZINC000183698682 822513402 /nfs/dbraw/zinc/51/34/02/822513402.db2.gz DDGAZKHDLYUCTK-LJQANCHMSA-N 1 0 380.941 4.077 20 0 GIADRO CC(C)[C@H]([NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1)c1ccccc1Cl ZINC000183698662 822513426 /nfs/dbraw/zinc/51/34/26/822513426.db2.gz DDGAZKHDLYUCTK-IBGZPJMESA-N 1 0 380.941 4.077 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc3cc(C)cc(Br)c3o2)C1 ZINC000183704333 822514222 /nfs/dbraw/zinc/51/42/22/822514222.db2.gz RXQOSNYAUUJLEL-AWEZNQCLSA-N 1 0 393.325 4.308 20 0 GIADRO Brc1cncc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000183705999 822514411 /nfs/dbraw/zinc/51/44/11/822514411.db2.gz RULUPIDXINHVFM-IHWFROFDSA-N 1 0 386.337 4.129 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N(C)Cc2nc3ccccc3s2)C1 ZINC000046763191 822514419 /nfs/dbraw/zinc/51/44/19/822514419.db2.gz TZKQAWTWJLYRTA-CALCHBBNSA-N 1 0 388.581 4.196 20 0 GIADRO Clc1cccc(N2CCCC2)c1C[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000179623603 822514634 /nfs/dbraw/zinc/51/46/34/822514634.db2.gz SURODHKWSLIXMK-QGZVFWFLSA-N 1 0 395.938 4.363 20 0 GIADRO Brc1cncc(C[NH2+]CCCc2nc(-c3ccncc3)cs2)c1 ZINC000183708797 822514915 /nfs/dbraw/zinc/51/49/15/822514915.db2.gz AKYKRFZQHPHQMC-UHFFFAOYSA-N 1 0 389.322 4.085 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)c1cc(OC)c(OC)cc1C)C(=O)Nc1ccc(OC)cc1 ZINC000179625276 822515040 /nfs/dbraw/zinc/51/50/40/822515040.db2.gz KPMWZOVIAFXSQE-KXBFYZLASA-N 1 0 386.492 4.089 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)C(C)(C)c1ccc(Br)cc1)c1ccsc1 ZINC000046765853 822515025 /nfs/dbraw/zinc/51/50/25/822515025.db2.gz YZBZNQBOVLSURG-INIZCTEOSA-N 1 0 395.366 4.207 20 0 GIADRO COC(=O)COc1ccccc1[C@H](C)[NH2+][C@@H](C)c1cccc(N2CCCC2)c1 ZINC000183710825 822515168 /nfs/dbraw/zinc/51/51/68/822515168.db2.gz DFZJYCUGHQGFMC-ROUUACIJSA-N 1 0 382.504 4.250 20 0 GIADRO COc1cc(C)c([C@H](C)[NH2+]CC(=O)Nc2ccccc2C(F)(F)F)cc1OC ZINC000179630808 822516294 /nfs/dbraw/zinc/51/62/94/822516294.db2.gz JUQANQIBLUMALJ-ZDUSSCGKSA-N 1 0 396.409 4.320 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CC(=O)NCc1ccc(F)cc1 ZINC000183720941 822516569 /nfs/dbraw/zinc/51/65/69/822516569.db2.gz GJEKUIGIRHLVNQ-AWEZNQCLSA-N 1 0 383.492 4.225 20 0 GIADRO Cc1nn(-c2ccccc2)cc1NC(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000183722523 822516849 /nfs/dbraw/zinc/51/68/49/822516849.db2.gz JZIIINUCOSRPSR-UHFFFAOYSA-N 1 0 391.519 4.343 20 0 GIADRO COc1cc(C)c([C@H](C)[NH2+]CC(=O)N[C@H](C)c2ccccc2Cl)cc1OC ZINC000179635116 822516973 /nfs/dbraw/zinc/51/69/73/822516973.db2.gz XINZQDGISSEFLM-LSDHHAIUSA-N 1 0 390.911 4.194 20 0 GIADRO CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+][C@H](C)c2cc3ccccc3o2)C1 ZINC000183724273 822517045 /nfs/dbraw/zinc/51/70/45/822517045.db2.gz FJAAAAHXLMOJCU-OAHLLOKOSA-N 1 0 387.476 4.135 20 0 GIADRO CO[C@H](C)c1cccc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)c1 ZINC000454685551 822517061 /nfs/dbraw/zinc/51/70/61/822517061.db2.gz RADBGEGMHFTFFI-RBUKOAKNSA-N 1 0 381.520 4.380 20 0 GIADRO Cc1ccc([C@H]2OCCC[C@@H]2C[NH2+]Cc2cncc(Br)c2)cc1 ZINC000183723941 822517084 /nfs/dbraw/zinc/51/70/84/822517084.db2.gz ADPDPKDZUYXXAO-IEBWSBKVSA-N 1 0 375.310 4.410 20 0 GIADRO Cc1nn(-c2ccccc2)cc1NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000183728781 822517744 /nfs/dbraw/zinc/51/77/44/822517744.db2.gz BCMKBYSUIOSXAA-UHFFFAOYSA-N 1 0 381.524 4.099 20 0 GIADRO C[C@@H]1CCc2ccccc2[C@H]1NC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000179646557 822519213 /nfs/dbraw/zinc/51/92/13/822519213.db2.gz DBDATFYUTDAHQX-VGSWGCGISA-N 1 0 381.520 4.209 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]Cc1ccc(N2CCOC2=O)cc1 ZINC000183737648 822519411 /nfs/dbraw/zinc/51/94/11/822519411.db2.gz LTTIIWPGYGTQNT-CQSZACIVSA-N 1 0 394.500 4.321 20 0 GIADRO CCOc1ccc(Br)cc1NC(=O)NC(C)(C)CCC[NH+](C)C ZINC000454701032 822519522 /nfs/dbraw/zinc/51/95/22/822519522.db2.gz PKBOVTGVIIKGMN-UHFFFAOYSA-N 1 0 386.334 4.090 20 0 GIADRO CC[C@@H]1C[C@H](C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)CCO1 ZINC000183740399 822520220 /nfs/dbraw/zinc/52/02/20/822520220.db2.gz MPMPKFWEYZPVBR-DHIUTWEWSA-N 1 0 386.580 4.043 20 0 GIADRO Cc1ccc(C[NH+]2CCSCC2)cc1NCc1cncc(Br)c1 ZINC000183742277 822520605 /nfs/dbraw/zinc/52/06/05/822520605.db2.gz NLPBOGFHHYVJTL-UHFFFAOYSA-N 1 0 392.366 4.313 20 0 GIADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CC3(CCC3)[C@@H]2c2ccco2)CC1 ZINC000454706262 822520912 /nfs/dbraw/zinc/52/09/12/822520912.db2.gz CSLUTJIEFRVKMD-UTKZUKDTSA-N 1 0 394.519 4.137 20 0 GIADRO Cc1ccc(Br)cc1NC(=O)CC[NH2+]Cc1ncc(C(C)C)s1 ZINC000183752569 822522456 /nfs/dbraw/zinc/52/24/56/822522456.db2.gz OELUEOFHOQDMPS-UHFFFAOYSA-N 1 0 396.354 4.456 20 0 GIADRO CC(C)Oc1ccc(NC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)c(C(F)(F)F)c1 ZINC000454726219 822523897 /nfs/dbraw/zinc/52/38/97/822523897.db2.gz BPXNMRMYLMWNSP-IBGZPJMESA-N 1 0 399.457 4.442 20 0 GIADRO C[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@](C)(F)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000454735496 822525057 /nfs/dbraw/zinc/52/50/57/822525057.db2.gz MWBJBJDUNBYJGP-LJHODMEESA-N 1 0 385.886 4.006 20 0 GIADRO FC(F)Oc1ccc(C[N@H+](C[C@H]2CCOC2)C2CC2)cc1Br ZINC000179678718 822525362 /nfs/dbraw/zinc/52/53/62/822525362.db2.gz KEBXFZUZHLJGEV-GFCCVEGCSA-N 1 0 376.241 4.051 20 0 GIADRO Cc1ccc(NCc2c(F)cccc2N2CCCC2)cc1NC(=O)CC[NH+](C)C ZINC000183774418 822526508 /nfs/dbraw/zinc/52/65/08/822526508.db2.gz ZMXOVAOLLDGEGZ-UHFFFAOYSA-N 1 0 398.526 4.237 20 0 GIADRO Cc1cccc(-c2n[nH]cc2CNc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)c1 ZINC000183777966 822527215 /nfs/dbraw/zinc/52/72/15/822527215.db2.gz MRYDRAOBPPPCGJ-UHFFFAOYSA-N 1 0 391.519 4.196 20 0 GIADRO C[C@H]([NH2+]CC(=O)NCC1CCCCC1)c1cccc(OCc2ccccn2)c1 ZINC000179688077 822527813 /nfs/dbraw/zinc/52/78/13/822527813.db2.gz XNZWSRUKPALPCV-SFHVURJKSA-N 1 0 381.520 4.008 20 0 GIADRO CC1CC[NH+](Cc2ccccc2CNC(=O)c2ccccc2SCC#N)CC1 ZINC000046897616 822527882 /nfs/dbraw/zinc/52/78/82/822527882.db2.gz SEAFZDYRKJJDLT-UHFFFAOYSA-N 1 0 393.556 4.464 20 0 GIADRO CCc1oc(C(=O)OC)cc1C[NH2+][C@@H](C)c1cccc(OCc2ccccn2)c1 ZINC000179692089 822528476 /nfs/dbraw/zinc/52/84/76/822528476.db2.gz BPOQMWVZVJDXPV-INIZCTEOSA-N 1 0 394.471 4.453 20 0 GIADRO C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000454754237 822528566 /nfs/dbraw/zinc/52/85/66/822528566.db2.gz ZNEIICUKPDTIPW-CYBMUJFWSA-N 1 0 384.351 4.241 20 0 GIADRO COc1cc([C@@H](C)[NH2+]C[C@H](O)c2ccc(F)cc2)ccc1OCc1ccncc1 ZINC000179702831 822530780 /nfs/dbraw/zinc/53/07/80/822530780.db2.gz URZFQPCAVMXKOH-IERDGZPVSA-N 1 0 396.462 4.193 20 0 GIADRO COC(=O)COc1ccccc1[C@@H](C)[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000183812397 822530750 /nfs/dbraw/zinc/53/07/50/822530750.db2.gz SYVPVKPAVATPDX-LVCYWYKZSA-N 1 0 383.488 4.057 20 0 GIADRO COc1cc([C@H](C)[NH2+]C[C@@H](O)c2ccccc2)ccc1OCc1ccncc1 ZINC000179702989 822531066 /nfs/dbraw/zinc/53/10/66/822531066.db2.gz HGVXATNQXLNUEM-LAUBAEHRSA-N 1 0 378.472 4.053 20 0 GIADRO COc1cc([C@H](C)[NH2+]CCc2scnc2C)ccc1OCc1ccncc1 ZINC000179706179 822531796 /nfs/dbraw/zinc/53/17/96/822531796.db2.gz PRKOCKVEKTXIQQ-HNNXBMFYSA-N 1 0 383.517 4.327 20 0 GIADRO Brc1ccc([C@@H]([NH2+]CCCOC[C@H]2CCOC2)c2ccco2)cc1 ZINC000183821788 822532044 /nfs/dbraw/zinc/53/20/44/822532044.db2.gz VANNOULFGPGGOD-DNVCBOLYSA-N 1 0 394.309 4.164 20 0 GIADRO COc1cc([C@@H](C)[NH2+]CC(=O)Nc2nccs2)ccc1OCc1ccccc1 ZINC000179708619 822532234 /nfs/dbraw/zinc/53/22/34/822532234.db2.gz UDHUFLHYAPDQHW-OAHLLOKOSA-N 1 0 397.500 4.020 20 0 GIADRO COc1cc([C@H](C)[NH2+]CC(=O)Nc2nccs2)ccc1OCc1ccccc1 ZINC000179708609 822532237 /nfs/dbraw/zinc/53/22/37/822532237.db2.gz UDHUFLHYAPDQHW-HNNXBMFYSA-N 1 0 397.500 4.020 20 0 GIADRO C[C@H]1CCN(C(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)c2ccccc21 ZINC000179718019 822534342 /nfs/dbraw/zinc/53/43/42/822534342.db2.gz CQXGYRLUFWDWGZ-SFHVURJKSA-N 1 0 378.516 4.045 20 0 GIADRO CNC(=O)C(C)(C)C[NH2+][C@H](c1ccccc1)c1ccc(Br)cc1F ZINC000183843817 822535107 /nfs/dbraw/zinc/53/51/07/822535107.db2.gz OEHBABDDXHCBON-QGZVFWFLSA-N 1 0 393.300 4.039 20 0 GIADRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccnc1Cl)c1ccccc1OC(F)F ZINC000179723723 822535507 /nfs/dbraw/zinc/53/55/07/822535507.db2.gz IMOJSLWDJURISO-WCQYABFASA-N 1 0 383.826 4.404 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1cccc(NC(=O)OC(C)(C)C)c1 ZINC000046989562 822535975 /nfs/dbraw/zinc/53/59/75/822535975.db2.gz AAQXUWTVVXHWBF-QGZVFWFLSA-N 1 0 389.540 4.418 20 0 GIADRO C[C@H]1CCC[N@H+](CCCCNC(=O)CCc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000046990467 822536094 /nfs/dbraw/zinc/53/60/94/822536094.db2.gz RRZCWPBVNYVKRM-KRWDZBQOSA-N 1 0 387.499 4.042 20 0 GIADRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2ccc(C3SCCS3)cc2)C1 ZINC000046991028 822536279 /nfs/dbraw/zinc/53/62/79/822536279.db2.gz BXQAYXNGOFRODI-INIZCTEOSA-N 1 0 378.607 4.407 20 0 GIADRO COC(=O)COc1ccccc1[C@@H](C)[NH2+][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000183854976 822536417 /nfs/dbraw/zinc/53/64/17/822536417.db2.gz MAZRBFMVEIWEMS-RDTXWAMCSA-N 1 0 389.879 4.456 20 0 GIADRO CCOc1ccccc1[C@@H](CC)[NH2+][C@H](C)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000179733525 822537992 /nfs/dbraw/zinc/53/79/92/822537992.db2.gz RDEPYCAJRFBSRQ-FOIQADDNSA-N 1 0 383.492 4.112 20 0 GIADRO Cc1cccc(-c2ccc(C[NH2+][C@H](C)c3ccc(S(N)(=O)=O)cc3)cc2)c1 ZINC000183875417 822539224 /nfs/dbraw/zinc/53/92/24/822539224.db2.gz JHHKGVHFPJMZLU-QGZVFWFLSA-N 1 0 380.513 4.160 20 0 GIADRO CCOc1ccccc1[C@H](CC)[NH2+]CC(=O)Nc1ccnn1Cc1cccs1 ZINC000179737906 822539374 /nfs/dbraw/zinc/53/93/74/822539374.db2.gz GFJWQKPKQDPPED-SFHVURJKSA-N 1 0 398.532 4.071 20 0 GIADRO CCC(CC)(C[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1)C(=O)OC ZINC000183879365 822539628 /nfs/dbraw/zinc/53/96/28/822539628.db2.gz PZJVTFNMCSSADK-INIZCTEOSA-N 1 0 395.565 4.033 20 0 GIADRO CCN(C(=O)C[NH2+][C@H](CCCO)c1ccccc1)c1cccc2ccccc21 ZINC000179739656 822539839 /nfs/dbraw/zinc/53/98/39/822539839.db2.gz MPKDXSOVKQNBNE-JOCHJYFZSA-N 1 0 376.500 4.296 20 0 GIADRO Fc1ccc(COC2CC[NH+](Cc3cc(F)cc4c3OCOC4)CC2)cc1 ZINC000179740169 822540088 /nfs/dbraw/zinc/54/00/88/822540088.db2.gz PYOZQJXSWXORLN-UHFFFAOYSA-N 1 0 375.415 4.013 20 0 GIADRO O=C(C[NH2+][C@@H](CCCO)c1ccccc1)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000179741273 822540599 /nfs/dbraw/zinc/54/05/99/822540599.db2.gz MRALJKAOEASLOQ-UPVQGACJSA-N 1 0 398.522 4.277 20 0 GIADRO C[C@H]1CCN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)[C@@H](c2ccco2)C1 ZINC000179743276 822540938 /nfs/dbraw/zinc/54/09/38/822540938.db2.gz SSRUXOVBHYHUMX-FXAWDEMLSA-N 1 0 382.508 4.074 20 0 GIADRO COC(=O)c1cc(C[NH+]2CCC(OCc3ccccc3OC)CC2)c(C)s1 ZINC000179748830 822541964 /nfs/dbraw/zinc/54/19/64/822541964.db2.gz AOTCACOSRQXABP-UHFFFAOYSA-N 1 0 389.517 4.033 20 0 GIADRO Cc1ccc(C)c(NC(=O)[C@H](C)[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)c1 ZINC000179750781 822542658 /nfs/dbraw/zinc/54/26/58/822542658.db2.gz UAJAFSRKDGVJGM-KSFYIVLOSA-N 1 0 380.488 4.143 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1ccc(F)c(F)c1F)c1cccc(C(F)(F)F)c1 ZINC000183898975 822542633 /nfs/dbraw/zinc/54/26/33/822542633.db2.gz INMZWAVAMKQZLY-CQSZACIVSA-N 1 0 390.327 4.155 20 0 GIADRO Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000179752395 822542843 /nfs/dbraw/zinc/54/28/43/822542843.db2.gz METQHRVRLIKKOR-CTNGQTDRSA-N 1 0 392.547 4.194 20 0 GIADRO CCn1c(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)nc2cc(F)ccc21 ZINC000179752345 822542845 /nfs/dbraw/zinc/54/28/45/822542845.db2.gz NMOAYNJJFPGIAI-QFIPXVFZSA-N 1 0 381.451 4.207 20 0 GIADRO OC[C@H]([NH2+]Cc1ccccc1Oc1cccnc1)c1cccc(Br)c1 ZINC000183901674 822543204 /nfs/dbraw/zinc/54/32/04/822543204.db2.gz XEOZTKFEMJESGX-IBGZPJMESA-N 1 0 399.288 4.460 20 0 GIADRO CCc1noc(C2CCC([NH2+]C[C@@H](O)c3c(Cl)cccc3Cl)CC2)n1 ZINC000183904792 822543827 /nfs/dbraw/zinc/54/38/27/822543827.db2.gz GAEDKYHWAZFZJH-KOHJWAIASA-N 1 0 384.307 4.288 20 0 GIADRO Cc1ccc(NC(=O)N2CC[C@H](C(F)(F)F)C[C@@H]2C)c(OCC[NH+](C)C)c1 ZINC000454841832 822544332 /nfs/dbraw/zinc/54/43/32/822544332.db2.gz RDQYQMLYDKPJGA-GJZGRUSLSA-N 1 0 387.446 4.130 20 0 GIADRO CSc1cccc(NC(=O)C[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)c1 ZINC000179757554 822544397 /nfs/dbraw/zinc/54/43/97/822544397.db2.gz LPUNZXMSBRKFEI-AWEZNQCLSA-N 1 0 383.517 4.046 20 0 GIADRO C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179760633 822545330 /nfs/dbraw/zinc/54/53/30/822545330.db2.gz RLVSSFMOMVLKOP-PXNSSMCTSA-N 1 0 396.510 4.025 20 0 GIADRO Cc1ccc2c(c1)[C@H](Nc1cccc(C[NH+]3CCC(C(N)=O)CC3)c1)CCCO2 ZINC000179765119 822547194 /nfs/dbraw/zinc/54/71/94/822547194.db2.gz LIAXKBCVSQTBQC-JOCHJYFZSA-N 1 0 393.531 4.018 20 0 GIADRO C[C@@H]([NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1ccccc1Cl ZINC000179766483 822547631 /nfs/dbraw/zinc/54/76/31/822547631.db2.gz XJABHCPWFHBAHE-ZUOKHONESA-N 1 0 386.879 4.179 20 0 GIADRO C[C@H]([NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1ccccc1Cl ZINC000179766497 822547688 /nfs/dbraw/zinc/54/76/88/822547688.db2.gz XJABHCPWFHBAHE-RBZFPXEDSA-N 1 0 386.879 4.179 20 0 GIADRO C[N@@H+]1CC[C@H](CNC(=O)Nc2cc(C(F)(F)F)ccc2SCC(F)F)C1 ZINC000454862850 822547807 /nfs/dbraw/zinc/54/78/07/822547807.db2.gz ZUEADUZBLJEDCP-SNVBAGLBSA-N 1 0 397.413 4.136 20 0 GIADRO CCOc1ccc(C(C)=O)cc1C[NH2+][C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000179767399 822548015 /nfs/dbraw/zinc/54/80/15/822548015.db2.gz CCROHXOMRZVDMU-OAHLLOKOSA-N 1 0 380.488 4.487 20 0 GIADRO NC(=O)C1CC[NH+](Cc2cccc(N[C@H]3CCSc4ccccc43)c2)CC1 ZINC000179770555 822549197 /nfs/dbraw/zinc/54/91/97/822549197.db2.gz DTEOWVPIVJFCFJ-FQEVSTJZSA-N 1 0 381.545 4.033 20 0 GIADRO CCN(C)c1ccc([C@H](C)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)cc1 ZINC000179774211 822550243 /nfs/dbraw/zinc/55/02/43/822550243.db2.gz MRVYNQCQHKPNGA-SFHVURJKSA-N 1 0 394.563 4.013 20 0 GIADRO O=C(NC1CC([NH+]2CCCCC2)C1)N[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000454882308 822550563 /nfs/dbraw/zinc/55/05/63/822550563.db2.gz KAHHWRXYDCPGMQ-HSFDUWRESA-N 1 0 375.944 4.292 20 0 GIADRO CC[NH+]1CCN(c2ccccc2N[C@@H](C)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000179776989 822550726 /nfs/dbraw/zinc/55/07/26/822550726.db2.gz KUCPKEHPANXWOH-IBGZPJMESA-N 1 0 392.547 4.128 20 0 GIADRO CCC[C@H](NC(=O)C[NH2+][C@H](C)c1ccc(NC(=O)C2CC2)cc1)c1ccccc1 ZINC000179776984 822550761 /nfs/dbraw/zinc/55/07/61/822550761.db2.gz LMNMYFSHADYQKX-VGSWGCGISA-N 1 0 393.531 4.343 20 0 GIADRO FC(F)SCc1ccc(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)o1 ZINC000179780598 822551459 /nfs/dbraw/zinc/55/14/59/822551459.db2.gz SYUWELYIUAOLHC-CYBMUJFWSA-N 1 0 378.448 4.158 20 0 GIADRO FC(F)SCc1ccc(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)o1 ZINC000179780610 822551554 /nfs/dbraw/zinc/55/15/54/822551554.db2.gz SYUWELYIUAOLHC-ZDUSSCGKSA-N 1 0 378.448 4.158 20 0 GIADRO Cc1cnc(C(C)(C)[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)s1 ZINC000183953450 822553225 /nfs/dbraw/zinc/55/32/25/822553225.db2.gz ONUWYYCYDKTMSS-NSHDSACASA-N 1 0 375.321 4.023 20 0 GIADRO CC1CC[NH+](CCCCNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)CC1 ZINC000047198961 822553826 /nfs/dbraw/zinc/55/38/26/822553826.db2.gz IYRHMQNDJNETMA-UHFFFAOYSA-N 1 0 393.531 4.181 20 0 GIADRO CC[C@H](C(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1ccc(OC)cc1 ZINC000179793179 822553984 /nfs/dbraw/zinc/55/39/84/822553984.db2.gz DHICYQMGXUSMHW-QHCPKHFHSA-N 1 0 380.532 4.012 20 0 GIADRO Cc1ccccc1C([NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1)c1ccccc1C ZINC000183973118 822556075 /nfs/dbraw/zinc/55/60/75/822556075.db2.gz SRGYMMPNFCYWKI-SFHVURJKSA-N 1 0 394.540 4.391 20 0 GIADRO C[C@@H](F)CCNC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000454919220 822556684 /nfs/dbraw/zinc/55/66/84/822556684.db2.gz GFMMZADGNOYESE-GYISXVGNSA-N 1 0 381.923 4.301 20 0 GIADRO C[N@H+](CCCCNC(=O)NCc1cnc(-c2ccc(Cl)cc2)s1)C1CC1 ZINC000454921154 822557096 /nfs/dbraw/zinc/55/70/96/822557096.db2.gz VZTWUEHPKOXGBN-UHFFFAOYSA-N 1 0 392.956 4.137 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000047262014 822559702 /nfs/dbraw/zinc/55/97/02/822559702.db2.gz YDKDDPPYFPEVHJ-UHFFFAOYSA-N 1 0 388.309 4.003 20 0 GIADRO O=C(Nc1ccc(Cl)cn1)C1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000047262358 822559869 /nfs/dbraw/zinc/55/98/69/822559869.db2.gz SVJPOWSPHVOTQC-UHFFFAOYSA-N 1 0 380.879 4.134 20 0 GIADRO CCC(CC)(C(=O)Nc1cccc(C[NH+](C)C)c1)c1ccc(OC)c(OC)c1 ZINC000184006955 822562704 /nfs/dbraw/zinc/56/27/04/822562704.db2.gz NKOHQTPFAJBNLQ-UHFFFAOYSA-N 1 0 384.520 4.462 20 0 GIADRO Cc1nc(COc2ccc(N[C@H](C)c3ccc(OCC[NH+](C)C)cc3)cc2)no1 ZINC000179834934 822562805 /nfs/dbraw/zinc/56/28/05/822562805.db2.gz OBSIREKJXBUURH-MRXNPFEDSA-N 1 0 396.491 4.071 20 0 GIADRO COCOc1ccc(OC)cc1C[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000179838166 822563718 /nfs/dbraw/zinc/56/37/18/822563718.db2.gz FTYJZTHHZYFTPB-ZDUSSCGKSA-N 1 0 380.282 4.291 20 0 GIADRO Clc1cccc(N2CCCC2)c1C[N@@H+]1CCCN(c2nccs2)CC1 ZINC000179849553 822566011 /nfs/dbraw/zinc/56/60/11/822566011.db2.gz VHNZRYPCJQHJGN-UHFFFAOYSA-N 1 0 376.957 4.109 20 0 GIADRO Cc1sc2[nH]c(C[NH2+][C@@H](C)C3CCOCC3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000179862359 822567977 /nfs/dbraw/zinc/56/79/77/822567977.db2.gz IXELZLCYRJSYNW-AWEZNQCLSA-N 1 0 397.544 4.173 20 0 GIADRO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000047338333 822568513 /nfs/dbraw/zinc/56/85/13/822568513.db2.gz XNKWGUCJEMLXFT-UHFFFAOYSA-N 1 0 375.822 4.451 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1ccc(Oc2cccc(Cl)c2)cc1)C1CCOCC1 ZINC000179870817 822568972 /nfs/dbraw/zinc/56/89/72/822568972.db2.gz WXBQLNMFKOHDGY-HNNXBMFYSA-N 1 0 388.895 4.476 20 0 GIADRO Cc1cc(Br)c2ccccc2c1NC(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000455004690 822569056 /nfs/dbraw/zinc/56/90/56/822569056.db2.gz WHEIOZSNQGYWQY-DYVFJYSZSA-N 1 0 388.309 4.079 20 0 GIADRO C[C@H](C[C@H](O)c1cccs1)[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000184057647 822572355 /nfs/dbraw/zinc/57/23/55/822572355.db2.gz NBRUJBZUCNOIDL-BZNIZROVSA-N 1 0 397.331 4.237 20 0 GIADRO Cc1nc([C@H](N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c2ccc(Cl)cc2)no1 ZINC000179895522 822572907 /nfs/dbraw/zinc/57/29/07/822572907.db2.gz JVSNBJZTSMJVJU-NHCUHLMSSA-N 1 0 396.922 4.375 20 0 GIADRO CC(=O)c1ccc(NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)cc1C ZINC000455023246 822573025 /nfs/dbraw/zinc/57/30/25/822573025.db2.gz KSXAEFNECTZMQM-UHFFFAOYSA-N 1 0 385.430 4.078 20 0 GIADRO CN(Cc1cccc2ccccc21)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000047392946 822574100 /nfs/dbraw/zinc/57/41/00/822574100.db2.gz JFUMDYHSCXJWDI-UHFFFAOYSA-N 1 0 388.515 4.256 20 0 GIADRO O=C(C[N@H+](C[C@H]1CCOC1)C1CC1)Nc1ccccc1Sc1ccccc1 ZINC000047405777 822575784 /nfs/dbraw/zinc/57/57/84/822575784.db2.gz AKPQXVZUGYXVKL-QGZVFWFLSA-N 1 0 382.529 4.277 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)Cn1nc(C2CC2)sc1=S ZINC000179916394 822576392 /nfs/dbraw/zinc/57/63/92/822576392.db2.gz LSSXZAJLNXAVNS-UHFFFAOYSA-N 1 0 389.594 4.142 20 0 GIADRO C[C@H](CC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)C(=O)c1ccc(Cl)cc1 ZINC000179918883 822577135 /nfs/dbraw/zinc/57/71/35/822577135.db2.gz SLADNJHIURFCMZ-IAGOWNOFSA-N 1 0 378.944 4.177 20 0 GIADRO CCCNC(=O)C1CC[NH+](Cc2cccc(OCc3ccccc3F)c2)CC1 ZINC000179923048 822577933 /nfs/dbraw/zinc/57/79/33/822577933.db2.gz VYGGYZUIQGJPBE-UHFFFAOYSA-N 1 0 384.495 4.143 20 0 GIADRO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000179931664 822579371 /nfs/dbraw/zinc/57/93/71/822579371.db2.gz KGGRBCNPBPXIMZ-QGZVFWFLSA-N 1 0 377.960 4.069 20 0 GIADRO COc1ccc([C@H](C)C[NH+]2CCC(c3nc(-c4ccccn4)no3)CC2)cc1 ZINC000179933259 822579702 /nfs/dbraw/zinc/57/97/02/822579702.db2.gz NVRYQWYVISJKFG-MRXNPFEDSA-N 1 0 378.476 4.123 20 0 GIADRO Cc1csc([C@H](C)C[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)n1 ZINC000184115312 822580590 /nfs/dbraw/zinc/58/05/90/822580590.db2.gz BEQUNNZZILVAIB-LLVKDONJSA-N 1 0 391.338 4.497 20 0 GIADRO Cc1noc(C)c1CSc1ncccc1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000047453502 822580909 /nfs/dbraw/zinc/58/09/09/822580909.db2.gz DYFXRQUDNLUBDB-UHFFFAOYSA-N 1 0 396.516 4.293 20 0 GIADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)Cc2ccc(Cl)cc2)[C@H](C)C1 ZINC000179939178 822580939 /nfs/dbraw/zinc/58/09/39/822580939.db2.gz AEXROWLNHBPWTC-UEXGIBASSA-N 1 0 394.987 4.162 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)c2ccccc2NC(=O)c2ccsc2)c1 ZINC000047460295 822581415 /nfs/dbraw/zinc/58/14/15/822581415.db2.gz HRNCGWXETYDBDP-UHFFFAOYSA-N 1 0 379.485 4.314 20 0 GIADRO Cc1cc(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)c(O)c(C(C)(C)C)c1 ZINC000047461086 822581469 /nfs/dbraw/zinc/58/14/69/822581469.db2.gz JULYBLGHIRJLAV-UHFFFAOYSA-N 1 0 394.519 4.057 20 0 GIADRO CC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)CC)cc1)c1ccccc1OC(F)F ZINC000179942331 822582051 /nfs/dbraw/zinc/58/20/51/822582051.db2.gz SIJSKXXECBGORC-QGZVFWFLSA-N 1 0 383.460 4.323 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)c2ccc(CSc3nc[nH]n3)cc2)c1 ZINC000047490166 822583787 /nfs/dbraw/zinc/58/37/87/822583787.db2.gz KDVWHYKAUIKALQ-UHFFFAOYSA-N 1 0 395.532 4.191 20 0 GIADRO O=C1Nc2ccccc2C12CCC([NH2+][C@@H]1CCCOc3cc(F)ccc31)CC2 ZINC000179961622 822586290 /nfs/dbraw/zinc/58/62/90/822586290.db2.gz VXDPKYFCYUHGLO-VCDSYBKSSA-N 1 0 380.463 4.462 20 0 GIADRO CC(C)[N@@H+](Cc1ccc(NC(=O)N2CC[C@@H]2C2CC2)cc1)C[C@H]1CCCCO1 ZINC000455079584 822586411 /nfs/dbraw/zinc/58/64/11/822586411.db2.gz SYWMSTLJQTXMNL-FGZHOGPDSA-N 1 0 385.552 4.482 20 0 GIADRO [NH3+]CC1(CC(=O)Nc2ccc(F)c(NC(=O)Cc3ccccc3)c2)CCCCC1 ZINC000184158047 822587523 /nfs/dbraw/zinc/58/75/23/822587523.db2.gz ZCNKGUAYXYVOQN-UHFFFAOYSA-N 1 0 397.494 4.245 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)Cc2ccc3c(c2)OCCO3)cc1 ZINC000047544388 822589069 /nfs/dbraw/zinc/58/90/69/822589069.db2.gz XKACTROMXTXFSZ-QGZVFWFLSA-N 1 0 380.488 4.013 20 0 GIADRO Cc1nn(-c2ccccc2)cc1C[NH2+]CCCc1nc(-c2ccc(F)cc2)no1 ZINC000184169410 822589856 /nfs/dbraw/zinc/58/98/56/822589856.db2.gz UZVFKLGXHGOADA-UHFFFAOYSA-N 1 0 391.450 4.092 20 0 GIADRO O=C(Nc1ccc(Oc2ccccc2)cn1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000455107036 822589908 /nfs/dbraw/zinc/58/99/08/822589908.db2.gz FIDUREJJWOTCHZ-UHFFFAOYSA-N 1 0 380.492 4.356 20 0 GIADRO CCCCCOc1ccc([C@@H]([NH2+]C[C@H]2COC3(CCOCC3)O2)C2CC2)cc1 ZINC000179981785 822590079 /nfs/dbraw/zinc/59/00/79/822590079.db2.gz LSYZVNJPRJYCPV-VXKWHMMOSA-N 1 0 389.536 4.218 20 0 GIADRO O=C(NCCCCC[NH+]1CCCC1)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000455121114 822591947 /nfs/dbraw/zinc/59/19/47/822591947.db2.gz TUXOQQLYKSPTHS-KRWDZBQOSA-N 1 0 389.437 4.385 20 0 GIADRO Cc1nc2ccccc2n1CCC[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000179993819 822592398 /nfs/dbraw/zinc/59/23/98/822592398.db2.gz UASZBUJUAQMVIH-UHFFFAOYSA-N 1 0 386.540 4.160 20 0 GIADRO CC(C)COC[C@@H]([NH2+]C[C@@H](O)c1ccccc1Br)c1ccco1 ZINC000184189082 822593158 /nfs/dbraw/zinc/59/31/58/822593158.db2.gz GYXJYIWFUZWLBR-IAGOWNOFSA-N 1 0 382.298 4.079 20 0 GIADRO Brc1ccc([C@H]([NH2+]CCc2nnc3n2CCCCC3)C2CC2)cc1 ZINC000180001974 822593511 /nfs/dbraw/zinc/59/35/11/822593511.db2.gz XKAWBITWSXYIFQ-LJQANCHMSA-N 1 0 389.341 4.050 20 0 GIADRO CCS(=O)(=O)N1CCC([NH2+][C@@H](c2ccc(Cl)c(Cl)c2)C(C)C)CC1 ZINC000180006239 822594545 /nfs/dbraw/zinc/59/45/45/822594545.db2.gz HQZVPYQUGKHGJR-QGZVFWFLSA-N 1 0 393.380 4.094 20 0 GIADRO COc1ccc(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1OC(C)C ZINC000184205378 822596034 /nfs/dbraw/zinc/59/60/34/822596034.db2.gz LZYISAZTBMONJU-QGZVFWFLSA-N 1 0 387.480 4.034 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2Cl)cc1OC ZINC000047608849 822596306 /nfs/dbraw/zinc/59/63/06/822596306.db2.gz GDKKGIZJPYUTTI-ZIAGYGMSSA-N 1 0 376.884 4.425 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)NCc2ccc(C(F)F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000184210432 822596702 /nfs/dbraw/zinc/59/67/02/822596702.db2.gz JCRWPMQFTCMPIS-UZLBHIALSA-N 1 0 387.474 4.477 20 0 GIADRO Cc1nn(C)c(OCC(F)(F)F)c1C[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000180015832 822597024 /nfs/dbraw/zinc/59/70/24/822597024.db2.gz OBPBHGJVMHTTHN-OAHLLOKOSA-N 1 0 399.482 4.284 20 0 GIADRO CC[C@H]1Oc2cc([C@H](C)[NH2+]CC(=O)Nc3cccc(C(C)C)c3)ccc2NC1=O ZINC000180018910 822597718 /nfs/dbraw/zinc/59/77/18/822597718.db2.gz CACUOLFSTNPQLP-MGPUTAFESA-N 1 0 395.503 4.209 20 0 GIADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1scnc1C1CCCC1 ZINC000184218366 822598010 /nfs/dbraw/zinc/59/80/10/822598010.db2.gz AUNXLICXVSBQNV-HNNXBMFYSA-N 1 0 375.563 4.429 20 0 GIADRO CC(C)C[NH+]1CCC(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)CC1 ZINC000047634528 822598224 /nfs/dbraw/zinc/59/82/24/822598224.db2.gz SUTWOKXMSNXUPY-UHFFFAOYSA-N 1 0 389.927 4.164 20 0 GIADRO CC(C)CS(=O)(=O)N1CCC([NH2+][C@H](C)c2cc3cc(Cl)ccc3o2)CC1 ZINC000180024718 822599402 /nfs/dbraw/zinc/59/94/02/822599402.db2.gz ZVHWTCBGXFIRFG-CQSZACIVSA-N 1 0 398.956 4.187 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)Nc1nc(C2CC2)cs1 ZINC000180025100 822599407 /nfs/dbraw/zinc/59/94/07/822599407.db2.gz HTIDJSCTUQOVCA-UHFFFAOYSA-N 1 0 385.537 4.186 20 0 GIADRO CN(CC[N@H+](C)C1CC1)C(=O)Nc1cccc(COCCc2ccccc2)c1 ZINC000184230319 822599837 /nfs/dbraw/zinc/59/98/37/822599837.db2.gz MHAQFRFMWNDVBY-UHFFFAOYSA-N 1 0 381.520 4.004 20 0 GIADRO Clc1ccccc1[C@@H](NC1CC[NH+](C2CC2)CC1)c1ccc2c(c1)OCCO2 ZINC000180028947 822600465 /nfs/dbraw/zinc/60/04/65/822600465.db2.gz DCQGKJAIUHSZDU-QHCPKHFHSA-N 1 0 398.934 4.417 20 0 GIADRO COc1ccccc1S(=O)(=O)CCC[NH2+]C(c1ccccc1)c1ccccc1 ZINC000184239260 822601088 /nfs/dbraw/zinc/60/10/88/822601088.db2.gz NPNJBJAXCDXIKW-UHFFFAOYSA-N 1 0 395.524 4.238 20 0 GIADRO CC[C@H](C)Sc1ccc(NC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)c(C)c1 ZINC000184248401 822602571 /nfs/dbraw/zinc/60/25/71/822602571.db2.gz FVXFRKZSBGCQMR-MSOLQXFVSA-N 1 0 392.613 4.033 20 0 GIADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NCc2ccc(C(F)F)cc2)CC1 ZINC000184249830 822603006 /nfs/dbraw/zinc/60/30/06/822603006.db2.gz HRVIXMUEIHHBKN-HNNXBMFYSA-N 1 0 388.462 4.044 20 0 GIADRO CN(C)S(=O)(=O)c1ccc(C[NH2+][C@H](c2ccc(F)cc2)C2CCCC2)cc1 ZINC000180043364 822603236 /nfs/dbraw/zinc/60/32/36/822603236.db2.gz IOOXKGGBJYUHQH-NRFANRHFSA-N 1 0 390.524 4.097 20 0 GIADRO CC(C)[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1Cl ZINC000180043540 822603277 /nfs/dbraw/zinc/60/32/77/822603277.db2.gz GHZWQZFLLKYXFU-LJQANCHMSA-N 1 0 380.941 4.077 20 0 GIADRO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)NC(=O)CO2)CC3 ZINC000180043920 822603338 /nfs/dbraw/zinc/60/33/38/822603338.db2.gz VELFTTXSPCTNHE-GOEBONIOSA-N 1 0 375.472 4.015 20 0 GIADRO COc1cccc(CC[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)c1 ZINC000047720577 822603762 /nfs/dbraw/zinc/60/37/62/822603762.db2.gz IVDCBADISAUYLE-UHFFFAOYSA-N 1 0 384.483 4.275 20 0 GIADRO CC(C)Oc1ncccc1C[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000047720906 822603896 /nfs/dbraw/zinc/60/38/96/822603896.db2.gz CWUJJOIXLTWJEN-UHFFFAOYSA-N 1 0 390.409 4.363 20 0 GIADRO COc1cc2c(cc1C[NH2+][C@@H](C)c1ccc(NC(=O)NC3CC3)cc1)O[C@@H](C)C2 ZINC000047725820 822604176 /nfs/dbraw/zinc/60/41/76/822604176.db2.gz UCLOKURLRKMEPO-GJZGRUSLSA-N 1 0 395.503 4.153 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)c3cccc(Cl)c3Cl)c2)CC1 ZINC000184259760 822604662 /nfs/dbraw/zinc/60/46/62/822604662.db2.gz YXMAFVXCAMRCEH-UHFFFAOYSA-N 1 0 378.303 4.388 20 0 GIADRO Cc1ccc(Cn2cc(C[NH2+][C@@H](C)C[S@](C)=O)c(-c3ccc(C)cc3)n2)cc1 ZINC000184268211 822606157 /nfs/dbraw/zinc/60/61/57/822606157.db2.gz CYTZTBWOMYBEBZ-VKGTZQKMSA-N 1 0 395.572 4.072 20 0 GIADRO CS(=O)(=O)Cc1cccc(C[NH2+][C@H](c2ccccc2F)C2CCCC2)c1 ZINC000180076543 822610588 /nfs/dbraw/zinc/61/05/88/822610588.db2.gz SBQBJRZKEFWBDY-NRFANRHFSA-N 1 0 375.509 4.391 20 0 GIADRO CC(C)Cc1ccc([C@H]([NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)C2CC2)cc1 ZINC000180080374 822611101 /nfs/dbraw/zinc/61/11/01/822611101.db2.gz QMDOKLWHMQEGOA-ZHRRBRCNSA-N 1 0 386.561 4.334 20 0 GIADRO C[N@H+](CCCCNC(=O)Nc1ccnn1Cc1cccc2ccccc21)C1CC1 ZINC000455223144 822611707 /nfs/dbraw/zinc/61/17/07/822611707.db2.gz WGHYJHYNLZTZTI-UHFFFAOYSA-N 1 0 391.519 4.081 20 0 GIADRO C[NH+](C)CCc1ccccc1NC(=O)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000455227758 822612793 /nfs/dbraw/zinc/61/27/93/822612793.db2.gz MAXVPQDMTBNQGU-OAQYLSRUSA-N 1 0 391.519 4.426 20 0 GIADRO C[C@@H]([NH2+]CCc1cc(F)cc2c1OCOC2)c1nc2ccc(Cl)cc2n1C ZINC000180092518 822613737 /nfs/dbraw/zinc/61/37/37/822613737.db2.gz UNMXXHLCPUKXJL-GFCCVEGCSA-N 1 0 389.858 4.126 20 0 GIADRO Cc1ccccc1[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)o1)C(C)(C)C ZINC000180092539 822613741 /nfs/dbraw/zinc/61/37/41/822613741.db2.gz XFWRDKKKQJZOTJ-HXUWFJFHSA-N 1 0 390.549 4.250 20 0 GIADRO COc1ccc2oc([C@@H](C)[NH2+]CC(=O)Nc3cccc(C(C)=O)c3)c(C)c2c1 ZINC000184321602 822614472 /nfs/dbraw/zinc/61/44/72/822614472.db2.gz SJSUEHUNXUCVRR-CQSZACIVSA-N 1 0 380.444 4.242 20 0 GIADRO COc1ccc(/C=C(\C)C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1F ZINC000184329063 822616086 /nfs/dbraw/zinc/61/60/86/822616086.db2.gz BTDNJNAUNDTTIO-DILWRCETSA-N 1 0 396.506 4.218 20 0 GIADRO CC(C)Oc1cccc([C@H](C)NC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000047882493 822616327 /nfs/dbraw/zinc/61/63/27/822616327.db2.gz BSALEKAXEXEBOK-FXAWDEMLSA-N 1 0 385.508 4.264 20 0 GIADRO CC[NH+](CC)[C@@H](CN[C@@H](c1cnn(C)c1)c1cccc(F)c1)c1ccsc1 ZINC000180107311 822616590 /nfs/dbraw/zinc/61/65/90/822616590.db2.gz WEJKUZBTJQMTAJ-LEWJYISDSA-N 1 0 386.540 4.383 20 0 GIADRO COc1ccc2oc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc3cccnc3Cl)c(C)c2c1 ZINC000184330895 822616565 /nfs/dbraw/zinc/61/65/65/822616565.db2.gz LYCLXAMDINQHEX-OLZOCXBDSA-N 1 0 387.867 4.476 20 0 GIADRO Cc1cccc([C@H](C[NH2+][C@H](c2ccccc2)c2ccccn2)N2CCOCC2)c1 ZINC000180107007 822616611 /nfs/dbraw/zinc/61/66/11/822616611.db2.gz NNLLWKKAYCCIEP-LOSJGSFVSA-N 1 0 387.527 4.143 20 0 GIADRO COc1ccc(CNCC[C@@H](C)[NH+]2CCCCC2)cc1OCc1cccnc1 ZINC000184331469 822616850 /nfs/dbraw/zinc/61/68/50/822616850.db2.gz GGSJZAVMUGNRQU-LJQANCHMSA-N 1 0 383.536 4.023 20 0 GIADRO CCCN1c2ccc(N[C@H](C)c3cccc(OCC[NH+](C)C)c3)cc2CCC1=O ZINC000180113326 822617869 /nfs/dbraw/zinc/61/78/69/822617869.db2.gz DEHVKJYXEFPHDX-GOSISDBHSA-N 1 0 395.547 4.489 20 0 GIADRO CCc1c(NC(=O)NC(C)(C)CCC[NH+](C)C)cnn1-c1ccc(Cl)cc1 ZINC000455254304 822618708 /nfs/dbraw/zinc/61/87/08/822618708.db2.gz ACLFNPHWKMZJJU-UHFFFAOYSA-N 1 0 391.947 4.330 20 0 GIADRO COc1ccc(OCc2ccccn2)c(C[NH2+]C[C@H](C)c2ncc(C)s2)c1 ZINC000184344219 822619147 /nfs/dbraw/zinc/61/91/47/822619147.db2.gz VCXADFTZRABJIE-HNNXBMFYSA-N 1 0 383.517 4.327 20 0 GIADRO Cc1cc(NC(=O)CC[NH2+][C@H](C)c2sc(-c3ccc(F)cc3)nc2C)no1 ZINC000184345411 822619407 /nfs/dbraw/zinc/61/94/07/822619407.db2.gz RXCPXTNHSGPHRC-GFCCVEGCSA-N 1 0 388.468 4.233 20 0 GIADRO COc1ccc(OCc2nc(C[NH2+]C[C@H](C)c3ncc(C)s3)cs2)cc1 ZINC000184344802 822619418 /nfs/dbraw/zinc/61/94/18/822619418.db2.gz JMEXXDSCKSQRRM-ZDUSSCGKSA-N 1 0 389.546 4.389 20 0 GIADRO Cc1csc(=O)n1CC[NH2+][C@@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000184348373 822619984 /nfs/dbraw/zinc/61/99/84/822619984.db2.gz DQGIQOVCZRCVJG-LBPRGKRZSA-N 1 0 377.510 4.140 20 0 GIADRO COc1ccc([C@@H](CNC(=O)Nc2cccc(N(C)C)c2C)[NH+]2CCCC2)cc1 ZINC000180126305 822620633 /nfs/dbraw/zinc/62/06/33/822620633.db2.gz XBHRCNVABCVPAQ-JOCHJYFZSA-N 1 0 396.535 4.028 20 0 GIADRO C[C@@H](NC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)c1ccc(OC(F)F)cc1 ZINC000047936043 822620917 /nfs/dbraw/zinc/62/09/17/822620917.db2.gz ISCJZGXJDNBJJV-FZKQIMNGSA-N 1 0 395.425 4.090 20 0 GIADRO CC(C)[NH+]1CCN(c2ccc(C(=O)Nc3cncc(Cl)c3Cl)cc2)CC1 ZINC000180127021 822621084 /nfs/dbraw/zinc/62/10/84/822621084.db2.gz FWXWYCNREBLZDV-UHFFFAOYSA-N 1 0 393.318 4.171 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1C(=O)NC1CC1)c1cc2ccccc2s1 ZINC000184354973 822621156 /nfs/dbraw/zinc/62/11/56/822621156.db2.gz VKCURWRMHNKGSB-CQSZACIVSA-N 1 0 393.512 4.083 20 0 GIADRO CCOC(=O)Nc1ccc(NC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000047946166 822621456 /nfs/dbraw/zinc/62/14/56/822621456.db2.gz QZFCAXVJZKRRSQ-HXUWFJFHSA-N 1 0 396.491 4.214 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(C)n(-c3ccccc3Cl)n2)C1 ZINC000180131607 822622088 /nfs/dbraw/zinc/62/20/88/822622088.db2.gz CBRCMVQAKPLLCX-INIZCTEOSA-N 1 0 389.931 4.030 20 0 GIADRO O=C(Nc1ccc(Cl)cc1OC(F)F)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000184374260 822624206 /nfs/dbraw/zinc/62/42/06/822624206.db2.gz HZIAAICMZYPVGT-BLLLJJGKSA-N 1 0 399.869 4.422 20 0 GIADRO CC[C@@H](C)n1ncc(NC(=O)NC[C@@H](c2ccc(SC)cc2)[NH+](C)C)c1C ZINC000455275955 822624671 /nfs/dbraw/zinc/62/46/71/822624671.db2.gz YBKMYYRICKJIOR-KUHUBIRLSA-N 1 0 389.569 4.309 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1N1CCCC1=O)c1cc2ccccc2s1 ZINC000184377960 822624702 /nfs/dbraw/zinc/62/47/02/822624702.db2.gz SITLLYUPYRJQEC-OAHLLOKOSA-N 1 0 393.512 4.317 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)Nc1ccc(C(C)=O)cc1)[NH+]1CCCCC1 ZINC000048039873 822625962 /nfs/dbraw/zinc/62/59/62/822625962.db2.gz BKNZKUJOSOSDMN-NRFANRHFSA-N 1 0 395.503 4.247 20 0 GIADRO COc1cc(C)cc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)c1C ZINC000455282532 822626443 /nfs/dbraw/zinc/62/64/43/822626443.db2.gz IHAULWDJJSHUKF-SFHVURJKSA-N 1 0 381.520 4.298 20 0 GIADRO CC[C@@H]([NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)c1nc(C)cs1 ZINC000184388562 822626562 /nfs/dbraw/zinc/62/65/62/822626562.db2.gz FVGCZTJCHVUUFI-SMDDNHRTSA-N 1 0 375.321 4.239 20 0 GIADRO CCCN(C(=O)[C@@H]1C[C@H]1c1cccnc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000455283853 822626752 /nfs/dbraw/zinc/62/67/52/822626752.db2.gz NPJJOXFEGUSSEI-XPWALMASSA-N 1 0 377.532 4.088 20 0 GIADRO CCCCCOc1cc(C)ccc1C[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000180150681 822627474 /nfs/dbraw/zinc/62/74/74/822627474.db2.gz QHEBGJGWJIGTKG-QGZVFWFLSA-N 1 0 390.549 4.062 20 0 GIADRO COc1ccccc1N1CC[C@H]([NH2+][C@H](C)c2nc3ccc(Cl)cc3n2C)C1 ZINC000180151639 822627650 /nfs/dbraw/zinc/62/76/50/822627650.db2.gz LQTBTVIZKBWXKT-ZBFHGGJFSA-N 1 0 384.911 4.165 20 0 GIADRO Cc1ccc([C@H](OC[C@H](O)C[NH2+][C@@H](C)c2nccs2)c2ccccc2)cc1 ZINC000184400482 822628668 /nfs/dbraw/zinc/62/86/68/822628668.db2.gz ZVGWADQHSWLOBR-IOMROCGXSA-N 1 0 382.529 4.269 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1ccccc1OCC(F)(F)F)c1ccc(F)cc1 ZINC000048072745 822629203 /nfs/dbraw/zinc/62/92/03/822629203.db2.gz RNTXXDUPAUQGJV-MRXNPFEDSA-N 1 0 399.388 4.191 20 0 GIADRO CC[N@H+](CCc1nccs1)Cc1cc2c(cc1Br)OCCCO2 ZINC000180164090 822630401 /nfs/dbraw/zinc/63/04/01/822630401.db2.gz VLCIFUPBPBZHBK-UHFFFAOYSA-N 1 0 397.338 4.132 20 0 GIADRO O=C(Cc1ccc(OC(F)(F)F)cc1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000048094471 822631141 /nfs/dbraw/zinc/63/11/41/822631141.db2.gz FQMWVLNMVSIUDN-QGZVFWFLSA-N 1 0 396.409 4.064 20 0 GIADRO CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000180170675 822631723 /nfs/dbraw/zinc/63/17/23/822631723.db2.gz DALSTZCKPWLOKX-QGZVFWFLSA-N 1 0 391.987 4.315 20 0 GIADRO FC(F)(F)CCN1CCC([NH2+][C@H]2CCc3c2cccc3Br)CC1 ZINC000180172122 822631986 /nfs/dbraw/zinc/63/19/86/822631986.db2.gz AGRLPIXNHUGRBU-INIZCTEOSA-N 1 0 391.275 4.443 20 0 GIADRO O=C1C[C@H](C[NH2+]Cc2c(Cl)cccc2N2CCCC2)CN1Cc1ccccc1 ZINC000180174815 822632651 /nfs/dbraw/zinc/63/26/51/822632651.db2.gz OPQNAHRXZBALJM-LJQANCHMSA-N 1 0 397.950 4.079 20 0 GIADRO C[C@H]([NH2+]CCc1nc2c(cccc2F)n1C)c1nc2ccc(Cl)cc2n1C ZINC000180176568 822632813 /nfs/dbraw/zinc/63/28/13/822632813.db2.gz YJJULYRTJQXQFJ-LBPRGKRZSA-N 1 0 385.874 4.146 20 0 GIADRO C[C@@H]([NH2+]CCc1nc2c(cccc2F)n1C)c1nc2ccc(Cl)cc2n1C ZINC000180176587 822632841 /nfs/dbraw/zinc/63/28/41/822632841.db2.gz YJJULYRTJQXQFJ-GFCCVEGCSA-N 1 0 385.874 4.146 20 0 GIADRO O=C(Nc1cccc2c1CCO2)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000455328892 822635411 /nfs/dbraw/zinc/63/54/11/822635411.db2.gz RACVDTTVVDBUAW-UHFFFAOYSA-N 1 0 391.515 4.142 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ncccc1C(F)(F)F ZINC000180189348 822635736 /nfs/dbraw/zinc/63/57/36/822635736.db2.gz IEIWFLDUFLKAPC-KRWDZBQOSA-N 1 0 391.437 4.085 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ncccc1C(F)(F)F ZINC000180189331 822635815 /nfs/dbraw/zinc/63/58/15/822635815.db2.gz IEIWFLDUFLKAPC-QGZVFWFLSA-N 1 0 391.437 4.085 20 0 GIADRO C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000048136752 822637169 /nfs/dbraw/zinc/63/71/69/822637169.db2.gz DNKOQBLHFGKXLS-KKSFZXQISA-N 1 0 377.488 4.129 20 0 GIADRO O=C(Nc1ccc(N2CCCC2)c(F)c1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000048137960 822637391 /nfs/dbraw/zinc/63/73/91/822637391.db2.gz LBBDNYWRJIJLOZ-UHFFFAOYSA-N 1 0 396.510 4.212 20 0 GIADRO Cn1cc(C[NH2+][C@H](COc2cccc(F)c2)c2cccc(C(F)(F)F)c2)cn1 ZINC000180207680 822639528 /nfs/dbraw/zinc/63/95/28/822639528.db2.gz NWIDRTBXBBWKET-LJQANCHMSA-N 1 0 393.384 4.488 20 0 GIADRO C[C@H](NCc1cccnc1OCC(F)F)c1nc2ccc(Cl)cc2n1C ZINC000180211475 822640278 /nfs/dbraw/zinc/64/02/78/822640278.db2.gz ZDUOBFHWKRACFO-NSHDSACASA-N 1 0 380.826 4.116 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1sccc1-c1ccccc1 ZINC000180217690 822641348 /nfs/dbraw/zinc/64/13/48/822641348.db2.gz KUVMZOLSJANNKT-UHFFFAOYSA-N 1 0 377.513 4.457 20 0 GIADRO CC[NH+](CC)CCOc1ccc(NC(=O)c2sccc2Br)cc1 ZINC000048173906 822642259 /nfs/dbraw/zinc/64/22/59/822642259.db2.gz AVHUSUNUHOVJKM-UHFFFAOYSA-N 1 0 397.338 4.484 20 0 GIADRO COc1ccc(S[C@@H](C)C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000048185656 822643221 /nfs/dbraw/zinc/64/32/21/822643221.db2.gz MDSULTBOUPMMHJ-MAUKXSAKSA-N 1 0 390.574 4.191 20 0 GIADRO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000180225495 822643252 /nfs/dbraw/zinc/64/32/52/822643252.db2.gz CQKZHLLQIIHHBJ-KGLIPLIRSA-N 1 0 385.451 4.391 20 0 GIADRO Cc1csc(-c2cccc(C(=O)NCC3CCN(c4cc[nH+]cc4)CC3)c2)n1 ZINC000180227115 822643392 /nfs/dbraw/zinc/64/33/92/822643392.db2.gz BWBRWUJSDXIYMT-UHFFFAOYSA-N 1 0 392.528 4.160 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1ccc(-n2cncn2)cc1 ZINC000180229329 822643986 /nfs/dbraw/zinc/64/39/86/822643986.db2.gz ZRLMVWJFJSCINP-CJMONDIMSA-N 1 0 386.858 4.241 20 0 GIADRO CN(C(=O)Nc1nc(C2CCC2)cs1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000455385794 822644375 /nfs/dbraw/zinc/64/43/75/822644375.db2.gz WIBLOXCDJQFKFS-UHFFFAOYSA-N 1 0 390.475 4.291 20 0 GIADRO Cn1cc([C@H]([NH2+]C[C@H]2CCCO[C@@H]2c2ccccc2)c2cccc(F)c2)cn1 ZINC000180232857 822644857 /nfs/dbraw/zinc/64/48/57/822644857.db2.gz KQGOSPJROFZKAZ-UEVCKROQSA-N 1 0 379.479 4.406 20 0 GIADRO CC[C@@H]([NH2+][C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21)c1ccc2c(c1)OCCO2 ZINC000184509459 822647632 /nfs/dbraw/zinc/64/76/32/822647632.db2.gz UVYAXCLBKLUVBP-NHCUHLMSSA-N 1 0 398.478 4.131 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000180247259 822647728 /nfs/dbraw/zinc/64/77/28/822647728.db2.gz AJLSECMAHSBGJR-QHCPKHFHSA-N 1 0 392.547 4.481 20 0 GIADRO CCC(=O)Nc1ccc(C)c(NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000048257003 822649346 /nfs/dbraw/zinc/64/93/46/822649346.db2.gz JUIVPDJXZSOTDI-UHFFFAOYSA-N 1 0 394.519 4.261 20 0 GIADRO NC(=O)COc1cccc(CNCc2c(Cl)cccc2Oc2ccccc2)c1 ZINC000180257409 822649406 /nfs/dbraw/zinc/64/94/06/822649406.db2.gz PCHYUBHZWNQAQO-UHFFFAOYSA-N 1 0 396.874 4.286 20 0 GIADRO Cc1ccc(-c2cnc(CCC(=O)NCCC[NH+]3C[C@@H](C)C[C@H](C)C3)o2)cc1 ZINC000048267778 822649902 /nfs/dbraw/zinc/64/99/02/822649902.db2.gz VRXFRZSGBBVONC-OALUTQOASA-N 1 0 383.536 4.067 20 0 GIADRO C[NH+](C)Cc1ccccc1CNC(=O)c1ccc(Br)cc1Cl ZINC000048269528 822650028 /nfs/dbraw/zinc/65/00/28/822650028.db2.gz ZFFOIHOLXIQILK-UHFFFAOYSA-N 1 0 381.701 4.094 20 0 GIADRO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)C1(c2ccc(F)cc2F)CCC1 ZINC000180261945 822650282 /nfs/dbraw/zinc/65/02/82/822650282.db2.gz FVVOEJGZDPNEED-IBGZPJMESA-N 1 0 398.497 4.067 20 0 GIADRO Cc1cc(NC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)c(F)cc1Br ZINC000455429160 822652069 /nfs/dbraw/zinc/65/20/69/822652069.db2.gz RBWDNEUFNGYUFA-LBPRGKRZSA-N 1 0 398.320 4.235 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]C[C@H](O)COCc1ccco1 ZINC000184547600 822655244 /nfs/dbraw/zinc/65/52/44/822655244.db2.gz DQZNGELXZWOVJN-YJBOKZPZSA-N 1 0 386.517 4.248 20 0 GIADRO Cc1nc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)sc1Cc1ccc(F)cc1 ZINC000455448249 822655971 /nfs/dbraw/zinc/65/59/71/822655971.db2.gz OAKHTPRIPSBRHK-GUYCJALGSA-N 1 0 390.528 4.128 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[NH2+][C@H](c2ccc(F)cc2)C2CCCC2)c1 ZINC000180288833 822656236 /nfs/dbraw/zinc/65/62/36/822656236.db2.gz JUXNJWUIUGFADR-QFIPXVFZSA-N 1 0 386.467 4.303 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(C)c(NC(C)=O)c1)c1ccccc1 ZINC000048363062 822656522 /nfs/dbraw/zinc/65/65/22/822656522.db2.gz PFQAUILZYBEFFN-OAQYLSRUSA-N 1 0 382.508 4.158 20 0 GIADRO Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)N1CC[NH+](CC(C)C)CC1 ZINC000048371841 822657342 /nfs/dbraw/zinc/65/73/42/822657342.db2.gz CTLIULNOLIVIJJ-UHFFFAOYSA-N 1 0 394.519 4.053 20 0 GIADRO CN(C)S(=O)(=O)c1cccc(C[NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)c1 ZINC000180294006 822657837 /nfs/dbraw/zinc/65/78/37/822657837.db2.gz SKVGWVLUYCXZSQ-OAQYLSRUSA-N 1 0 390.524 4.097 20 0 GIADRO CCC(=O)Nc1ccc(NC(=O)NC[C@@H](c2ccc(CC)cc2)[NH+](C)C)cc1 ZINC000048390357 822658669 /nfs/dbraw/zinc/65/86/69/822658669.db2.gz CAHPEXPMWNQQEH-FQEVSTJZSA-N 1 0 382.508 4.022 20 0 GIADRO Cc1ccnn1-c1ccccc1NC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000184568533 822658793 /nfs/dbraw/zinc/65/87/93/822658793.db2.gz SAEMSKXPKCGDFM-FQEVSTJZSA-N 1 0 395.551 4.157 20 0 GIADRO Cc1cccc(COc2ccc(CNC(=O)NC3CC[NH+](C4CC4)CC3)cc2)c1 ZINC000048395002 822659267 /nfs/dbraw/zinc/65/92/67/822659267.db2.gz QAJAWWLORRJEBA-UHFFFAOYSA-N 1 0 393.531 4.000 20 0 GIADRO CC[NH+]1CCN(c2cccc(NCc3cc(Cl)c(OC)c(OC)c3)c2)CC1 ZINC000184572204 822659502 /nfs/dbraw/zinc/65/95/02/822659502.db2.gz BCKKGINNJUJTRX-UHFFFAOYSA-N 1 0 389.927 4.111 20 0 GIADRO Cc1cc(N2CCCCCC2)ccc1NC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000455465895 822659960 /nfs/dbraw/zinc/65/99/60/822659960.db2.gz RLAMPYKCPDQNMY-QHCPKHFHSA-N 1 0 384.568 4.325 20 0 GIADRO O[C@@H](C[NH2+]C1CCN(CC(F)(F)F)CC1)c1ccc(-c2ccccc2)cc1 ZINC000184579903 822660789 /nfs/dbraw/zinc/66/07/89/822660789.db2.gz MRNDXVDNDJVMPF-FQEVSTJZSA-N 1 0 378.438 4.003 20 0 GIADRO C[C@H]1CCCN(Cc2csc(NC(=O)c3cn(C)nc3-c3ccccc3)n2)C1 ZINC000180308931 822661108 /nfs/dbraw/zinc/66/11/08/822661108.db2.gz XWPXUPCUUWQXFD-HNNXBMFYSA-N 1 0 395.532 4.028 20 0 GIADRO Cc1cc(C)c(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c(C)n1 ZINC000455480672 822662807 /nfs/dbraw/zinc/66/28/07/822662807.db2.gz OJQRMKXXIRYOLP-SEJPIABJSA-N 1 0 378.520 4.324 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1ccc(F)cc1Br ZINC000048451450 822663024 /nfs/dbraw/zinc/66/30/24/822663024.db2.gz OBPHOMUEHXLCFW-ZDUSSCGKSA-N 1 0 386.309 4.364 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1ccc(F)cc1Br)c1ccsc1 ZINC000048451748 822663184 /nfs/dbraw/zinc/66/31/84/822663184.db2.gz QIQUNWPAHOTJJO-CQSZACIVSA-N 1 0 386.290 4.074 20 0 GIADRO CNC(=O)c1cccc(C[NH2+][C@@H](COc2ccccc2F)c2ccccc2)c1 ZINC000180325207 822663511 /nfs/dbraw/zinc/66/35/11/822663511.db2.gz ZCNHKSOHJOWKBF-NRFANRHFSA-N 1 0 378.447 4.095 20 0 GIADRO C[C@@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000455484548 822663547 /nfs/dbraw/zinc/66/35/47/822663547.db2.gz ZHVXCKDVLXGBMZ-GVZPALNKSA-N 1 0 382.335 4.247 20 0 GIADRO CCc1ccc([C@H](CNC(=O)Nc2cn(C)nc2C2CC2)[NH+](CC)CC)cc1 ZINC000455486081 822663807 /nfs/dbraw/zinc/66/38/07/822663807.db2.gz YMFVDIZBLDUXFC-FQEVSTJZSA-N 1 0 383.540 4.065 20 0 GIADRO CC[C@H](Cc1ccccc1)NC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180341699 822666524 /nfs/dbraw/zinc/66/65/24/822666524.db2.gz DPYJNDQKNRIUED-JOCHJYFZSA-N 1 0 394.563 4.351 20 0 GIADRO CC(C)[NH+]1CCC(NC(=O)c2ccc(Br)cc2C(F)(F)F)CC1 ZINC000180344573 822666972 /nfs/dbraw/zinc/66/69/72/822666972.db2.gz BGDUYFNQNGNHQK-UHFFFAOYSA-N 1 0 393.247 4.071 20 0 GIADRO CC[C@@H]([NH2+]C1CCN(C(=O)Cc2ccccc2OC)CC1)c1ccccc1F ZINC000180348290 822667732 /nfs/dbraw/zinc/66/77/32/822667732.db2.gz LZJOXDIMAIAKIK-OAQYLSRUSA-N 1 0 384.495 4.109 20 0 GIADRO Cc1cccc(CC[NH2+][C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)c1 ZINC000180350954 822668331 /nfs/dbraw/zinc/66/83/31/822668331.db2.gz OBDYMDXQSUFMKY-HSZRJFAPSA-N 1 0 379.525 4.320 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000184635424 822669136 /nfs/dbraw/zinc/66/91/36/822669136.db2.gz ISKSDECJPQGMRS-SFHVURJKSA-N 1 0 393.531 4.125 20 0 GIADRO C[C@@H](NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1c(F)cccc1Cl ZINC000180355630 822669324 /nfs/dbraw/zinc/66/93/24/822669324.db2.gz FTRPTPWTUVXSJS-CQSZACIVSA-N 1 0 390.890 4.151 20 0 GIADRO C[C@H](C#N)Oc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000180357109 822669709 /nfs/dbraw/zinc/66/97/09/822669709.db2.gz KAGHMHGWIZDDRO-RTBURBONSA-N 1 0 391.515 4.259 20 0 GIADRO CCOCc1ccc(CNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000184642229 822669994 /nfs/dbraw/zinc/66/99/94/822669994.db2.gz UWESODXTKVAPTC-UHFFFAOYSA-N 1 0 380.532 4.142 20 0 GIADRO Clc1cccc(Oc2ccccc2)c1C[NH2+]C[C@H]1COC2(CCOCC2)O1 ZINC000180361509 822670457 /nfs/dbraw/zinc/67/04/57/822670457.db2.gz UEGCDQADMJHUHP-KRWDZBQOSA-N 1 0 389.879 4.144 20 0 GIADRO CSc1ccc([C@@H](CNC(=O)Nc2cc(F)cc(F)c2F)[NH+](C)C)cc1 ZINC000455533018 822671395 /nfs/dbraw/zinc/67/13/95/822671395.db2.gz GFMXHRZAZXSXCZ-MRXNPFEDSA-N 1 0 383.439 4.250 20 0 GIADRO COc1ccc(NC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)c(C(F)(F)F)c1 ZINC000048549736 822671572 /nfs/dbraw/zinc/67/15/72/822671572.db2.gz OTBBJECYEIIVRZ-QGZVFWFLSA-N 1 0 399.388 4.278 20 0 GIADRO CCc1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000180377861 822672417 /nfs/dbraw/zinc/67/24/17/822672417.db2.gz BHUQFCIXVJZLBX-AWEZNQCLSA-N 1 0 380.410 4.479 20 0 GIADRO COc1ccc([C@H](C[NH2+][C@H]2CCSc3c(F)cccc32)N(C)C)cc1OC ZINC000180378722 822672676 /nfs/dbraw/zinc/67/26/76/822672676.db2.gz ZDPDUASHOLGGMC-ROUUACIJSA-N 1 0 390.524 4.272 20 0 GIADRO COc1ccc([C@H](C[NH2+][C@H](C)c2cnc3ccsc3c2)N(C)C)cc1OC ZINC000180379389 822672722 /nfs/dbraw/zinc/67/27/22/822672722.db2.gz NYONWFMJYOZEPC-KDOFPFPSSA-N 1 0 385.533 4.267 20 0 GIADRO O=C(Nc1cc(F)cc(F)c1F)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000455544565 822672941 /nfs/dbraw/zinc/67/29/41/822672941.db2.gz PFPFWEXDUBVRFY-OAQYLSRUSA-N 1 0 389.421 4.234 20 0 GIADRO Cc1nc(C)c([C@@H](C)[NH2+][C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)s1 ZINC000184669453 822673397 /nfs/dbraw/zinc/67/33/97/822673397.db2.gz RYMYPTJVSITAHZ-DOMZBBRYSA-N 1 0 397.466 4.230 20 0 GIADRO O=C(N[C@@H]1CC[C@H](c2cccc(Cl)c2)C1)NC1CC[NH+](C2CCC2)CC1 ZINC000455556200 822674278 /nfs/dbraw/zinc/67/42/78/822674278.db2.gz HRRSLQAOBWPOQA-QFBILLFUSA-N 1 0 375.944 4.292 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)N1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000455567408 822675747 /nfs/dbraw/zinc/67/57/47/822675747.db2.gz SZFLVQBKNMWIHW-IBGZPJMESA-N 1 0 393.984 4.233 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1)c1cccc2ccccc21 ZINC000184687526 822676582 /nfs/dbraw/zinc/67/65/82/822676582.db2.gz NFLGTHMKHMPZKT-INIZCTEOSA-N 1 0 398.503 4.370 20 0 GIADRO O=C(Nc1cc(F)cc(F)c1F)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000455572454 822676696 /nfs/dbraw/zinc/67/66/96/822676696.db2.gz ZPLJCJAZSUNZGY-ALOPSCKCSA-N 1 0 389.421 4.421 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)N[C@H]2CCCOc3c(Cl)cccc32)cc1 ZINC000180418738 822678396 /nfs/dbraw/zinc/67/83/96/822678396.db2.gz PNDXMRDYDNEYKB-IBGZPJMESA-N 1 0 387.911 4.115 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@H](c1ccccc1)C(F)F ZINC000455584920 822678552 /nfs/dbraw/zinc/67/85/52/822678552.db2.gz AZHKEEKKFAYUGQ-LJQANCHMSA-N 1 0 375.463 4.332 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1ccc(F)cc1Cl ZINC000180422891 822679057 /nfs/dbraw/zinc/67/90/57/822679057.db2.gz KYCDTYTWJRAUQM-UHFFFAOYSA-N 1 0 375.875 4.253 20 0 GIADRO CC[C@@H](C)C(=O)Nc1cccc(C[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)c1 ZINC000180423625 822679175 /nfs/dbraw/zinc/67/91/75/822679175.db2.gz CDGRPVOBNZCHCD-IAGOWNOFSA-N 1 0 395.503 4.479 20 0 GIADRO CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)c1 ZINC000180423605 822679304 /nfs/dbraw/zinc/67/93/04/822679304.db2.gz CDGRPVOBNZCHCD-IRXDYDNUSA-N 1 0 395.503 4.479 20 0 GIADRO CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2cccc3c2OCCCO3)cc1 ZINC000048714270 822679410 /nfs/dbraw/zinc/67/94/10/822679410.db2.gz SUACPQBJMUKQPM-MRXNPFEDSA-N 1 0 383.492 4.229 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1scnc1C(C)(C)C ZINC000180428461 822680139 /nfs/dbraw/zinc/68/01/39/822680139.db2.gz CUYULZJFJIFGGL-UHFFFAOYSA-N 1 0 386.565 4.214 20 0 GIADRO CCNC(=O)Nc1cccc(NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000184708765 822680161 /nfs/dbraw/zinc/68/01/61/822680161.db2.gz MDXRKKGOAIBAGM-UHFFFAOYSA-N 1 0 394.519 4.069 20 0 GIADRO CCCC[C@@H]1CCC[C@@H]1[NH2+]Cc1nnc(C(=O)Nc2ccc(OC)cc2)s1 ZINC000184710366 822680349 /nfs/dbraw/zinc/68/03/49/822680349.db2.gz PBUYIUJKTXTVMB-PBHICJAKSA-N 1 0 388.537 4.248 20 0 GIADRO COc1cc(Cl)cc(C[NH2+]C[C@@H](O)c2c(Cl)cccc2Cl)c1O ZINC000184709116 822680370 /nfs/dbraw/zinc/68/03/70/822680370.db2.gz ZBHCHADSTITPFK-CYBMUJFWSA-N 1 0 376.667 4.184 20 0 GIADRO CCCC[C@@H]1CCC[C@H]1[NH2+]Cc1nnc(C(=O)Nc2ccc(OC)cc2)s1 ZINC000184710404 822680378 /nfs/dbraw/zinc/68/03/78/822680378.db2.gz PBUYIUJKTXTVMB-RHSMWYFYSA-N 1 0 388.537 4.248 20 0 GIADRO COc1cc([C@H](C)[NH2+]Cc2cnn(C(C)(C)C)c2)ccc1OCc1ccncc1 ZINC000048746901 822680953 /nfs/dbraw/zinc/68/09/53/822680953.db2.gz HYJOFSFGYRWSGO-KRWDZBQOSA-N 1 0 394.519 4.472 20 0 GIADRO O=C(NCCC1CC(F)(F)C1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000455598444 822681776 /nfs/dbraw/zinc/68/17/76/822681776.db2.gz NVMWFDGQZUEMSJ-OAQYLSRUSA-N 1 0 391.506 4.120 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(Br)c(C3CC3)n2)C[C@@H]1C ZINC000455600721 822681878 /nfs/dbraw/zinc/68/18/78/822681878.db2.gz RINAXJLIOSJESC-JSGCOSHPSA-N 1 0 395.345 4.058 20 0 GIADRO C[C@H]([NH2+]C1(c2ccc(Br)cc2)CCC1)c1ccc(-n2cnnn2)cc1 ZINC000180438647 822682184 /nfs/dbraw/zinc/68/21/84/822682184.db2.gz RAZJMLKQSPKSGS-AWEZNQCLSA-N 1 0 398.308 4.155 20 0 GIADRO COc1ccc(NC(=O)C[C@H](C)[NH2+]Cc2c(C)oc3ccccc32)c(OC)c1 ZINC000184724712 822682246 /nfs/dbraw/zinc/68/22/46/822682246.db2.gz HQZCFBPDLOZGMW-AWEZNQCLSA-N 1 0 382.460 4.265 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000180441571 822682658 /nfs/dbraw/zinc/68/26/58/822682658.db2.gz AJSSYWYSMNMXDY-TZIWHRDSSA-N 1 0 399.485 4.228 20 0 GIADRO COc1ccc(C[NH2+]Cc2cccc(NC(=O)c3ccc(F)cc3)c2)cc1O ZINC000048781080 822682810 /nfs/dbraw/zinc/68/28/10/822682810.db2.gz OBIYYZPULNETBX-UHFFFAOYSA-N 1 0 380.419 4.082 20 0 GIADRO CC(=O)Nc1ccc(C[NH2+]Cc2cccc(NC(=O)c3ccc(F)cc3)c2)cc1 ZINC000048781094 822682867 /nfs/dbraw/zinc/68/28/67/822682867.db2.gz KBDXGPQZYGKHCN-UHFFFAOYSA-N 1 0 391.446 4.326 20 0 GIADRO COc1ccc(C[NH2+]Cc2cccc(NC(=O)c3cccc(F)c3)c2)cc1O ZINC000048781484 822682880 /nfs/dbraw/zinc/68/28/80/822682880.db2.gz PGZYVBWJBFWGFQ-UHFFFAOYSA-N 1 0 380.419 4.082 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F ZINC000180444851 822683155 /nfs/dbraw/zinc/68/31/55/822683155.db2.gz RCTFLBZMGRIONJ-NHCUHLMSSA-N 1 0 399.485 4.228 20 0 GIADRO COc1ccccc1SC[C@H](C)C[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000180445645 822683404 /nfs/dbraw/zinc/68/34/04/822683404.db2.gz KRFWWRUIWUZLIU-HZPDHXFCSA-N 1 0 393.574 4.178 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)N[C@H](c2ccccc2)C(F)F)CC1 ZINC000455610214 822684024 /nfs/dbraw/zinc/68/40/24/822684024.db2.gz BESXFACLCPQPMA-HXUWFJFHSA-N 1 0 387.474 4.299 20 0 GIADRO C[N@H+](CCCCNC(=O)N1CC[C@@H](Sc2cccc(Cl)c2)C1)C1CC1 ZINC000455611286 822684276 /nfs/dbraw/zinc/68/42/76/822684276.db2.gz LOVTTXPFXORJGB-GOSISDBHSA-N 1 0 381.973 4.090 20 0 GIADRO O[C@@H](C[NH2+]Cc1ccccc1Br)c1cccc(Br)c1 ZINC000048820577 822684410 /nfs/dbraw/zinc/68/44/10/822684410.db2.gz VRVLNSFSALZWSO-HNNXBMFYSA-N 1 0 385.099 4.035 20 0 GIADRO CC(=O)Nc1cccc(OCC[NH2+][C@@H](C)c2ccc(F)cc2OC(F)F)c1 ZINC000180450941 822684502 /nfs/dbraw/zinc/68/45/02/822684502.db2.gz XHYPUURHFYDSRZ-LBPRGKRZSA-N 1 0 382.382 4.115 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+]CCOc2ccc(Br)cc2)s1 ZINC000180451754 822684724 /nfs/dbraw/zinc/68/47/24/822684724.db2.gz WTXYLUGIFQTWTI-GFCCVEGCSA-N 1 0 399.354 4.133 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1ccccc1OCC1CC1 ZINC000180451918 822684954 /nfs/dbraw/zinc/68/49/54/822684954.db2.gz DIGIUDFRWKPGAL-UHFFFAOYSA-N 1 0 393.531 4.249 20 0 GIADRO CC[C@H]1C[C@@H](C(=O)N(c2cccc(SC)c2)C2CC[NH+](C)CC2)CCO1 ZINC000180454091 822685250 /nfs/dbraw/zinc/68/52/50/822685250.db2.gz RHOVHPKVFUNBHG-LPHOPBHVSA-N 1 0 376.566 4.041 20 0 GIADRO CC[C@H]1C[C@H](C(=O)N(c2cccc(SC)c2)C2CC[NH+](C)CC2)CCO1 ZINC000180454052 822685274 /nfs/dbraw/zinc/68/52/74/822685274.db2.gz RHOVHPKVFUNBHG-APWZRJJASA-N 1 0 376.566 4.041 20 0 GIADRO CC(C)[NH+]1CCC(Nc2ccc(CCn3cc(Br)cn3)cc2)CC1 ZINC000180455669 822685551 /nfs/dbraw/zinc/68/55/51/822685551.db2.gz YPEHVQYTVGEYAT-UHFFFAOYSA-N 1 0 391.357 4.173 20 0 GIADRO CC(C)(C)OC(=O)N1CCC(C[N@H+](Cc2ccco2)Cc2cccnc2)CC1 ZINC000180460534 822686261 /nfs/dbraw/zinc/68/62/61/822686261.db2.gz BPAWMEQUNOKTFH-UHFFFAOYSA-N 1 0 385.508 4.324 20 0 GIADRO CC(C)(C)OC(=O)N1CC[C@H](CC[NH2+][C@H](c2ccccc2)c2ccccn2)C1 ZINC000180498983 822691473 /nfs/dbraw/zinc/69/14/73/822691473.db2.gz DKMNQKAFODPZMO-GHTZIAJQSA-N 1 0 381.520 4.408 20 0 GIADRO O=C(c1csc(-c2cccc(Cl)c2)n1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000049072842 822692024 /nfs/dbraw/zinc/69/20/24/822692024.db2.gz LSKCHMSKGONAPZ-UHFFFAOYSA-N 1 0 389.952 4.412 20 0 GIADRO CC[NH+](CC)CC1CCN(C(=O)c2sc3cccc(F)c3c2COC)CC1 ZINC000049075255 822692161 /nfs/dbraw/zinc/69/21/61/822692161.db2.gz WSRVBXFRZIBURW-UHFFFAOYSA-N 1 0 392.540 4.381 20 0 GIADRO C[C@H](NC(=O)Nc1ccnn1CC[NH+](C)C)c1ccc(Cl)c2ccccc21 ZINC000455656142 822692545 /nfs/dbraw/zinc/69/25/45/822692545.db2.gz JXDNFPDVPXULPB-AWEZNQCLSA-N 1 0 385.899 4.134 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+]Cc2cc(Br)ccc2OC)s1 ZINC000180504546 822692624 /nfs/dbraw/zinc/69/26/24/822692624.db2.gz WWMKKOIRRYQICO-LLVKDONJSA-N 1 0 399.354 4.262 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)Nc2ccc([C@@H]3CCOC3)cc2)cc1 ZINC000455656729 822692752 /nfs/dbraw/zinc/69/27/52/822692752.db2.gz BMFIBIOQMCVZGI-OAQYLSRUSA-N 1 0 381.520 4.354 20 0 GIADRO COc1cc([C@H](C)[NH2+]CCCc2ccc(Cl)cc2)ccc1S(C)(=O)=O ZINC000180506892 822693098 /nfs/dbraw/zinc/69/30/98/822693098.db2.gz XEGPQIRNIYZXII-AWEZNQCLSA-N 1 0 381.925 4.036 20 0 GIADRO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)cc1 ZINC000180507873 822693352 /nfs/dbraw/zinc/69/33/52/822693352.db2.gz OZUOSXMKJZFSCX-MJGOQNOKSA-N 1 0 383.517 4.235 20 0 GIADRO CC(C)Oc1ccccc1[C@H](C)NC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000049194660 822694793 /nfs/dbraw/zinc/69/47/93/822694793.db2.gz CIMSCXRQNBTVNE-MAUKXSAKSA-N 1 0 375.538 4.198 20 0 GIADRO CC[C@H](NC(=O)NC[C@H](c1ccsc1)[NH+](C)C)c1ccccc1OC(F)F ZINC000049194669 822694833 /nfs/dbraw/zinc/69/48/33/822694833.db2.gz HBTSBGPJPJLIBL-JKSUJKDBSA-N 1 0 397.491 4.403 20 0 GIADRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)Nc1ccc([C@H]2CCOC2)cc1 ZINC000455665296 822695130 /nfs/dbraw/zinc/69/51/30/822695130.db2.gz OQSOVEGYZZRNPL-FQEVSTJZSA-N 1 0 381.520 4.223 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@H](C)c2cc3ccccc3o2)c1 ZINC000049204254 822695165 /nfs/dbraw/zinc/69/51/65/822695165.db2.gz SWCYKKSYOAAASS-MRXNPFEDSA-N 1 0 393.487 4.091 20 0 GIADRO O=C(Nc1cc(Cl)ccc1OC(F)(F)F)N1CCC([NH+]2CCCC2)CC1 ZINC000455668282 822696028 /nfs/dbraw/zinc/69/60/28/822696028.db2.gz SOKCPHAIEGJYDQ-UHFFFAOYSA-N 1 0 391.821 4.331 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1ccc2[nH]ccc2c1)c1cccc(C(F)(F)F)c1 ZINC000184828306 822696312 /nfs/dbraw/zinc/69/63/12/822696312.db2.gz QKEFNBQJCDYZDN-SFHVURJKSA-N 1 0 375.394 4.219 20 0 GIADRO C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)NNc1cc[nH+]cc1 ZINC000180529153 822696947 /nfs/dbraw/zinc/69/69/47/822696947.db2.gz JLKHINGCOXFXJE-LBPRGKRZSA-N 1 0 388.880 4.155 20 0 GIADRO C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)NNc1cc[nH+]cc1 ZINC000180529176 822696950 /nfs/dbraw/zinc/69/69/50/822696950.db2.gz JLKHINGCOXFXJE-GFCCVEGCSA-N 1 0 388.880 4.155 20 0 GIADRO NC(=O)c1cccc(CC[NH2+][C@@H]2CCCc3nc(-c4ccccc4F)sc32)c1 ZINC000180532198 822697412 /nfs/dbraw/zinc/69/74/12/822697412.db2.gz SBTSMBUNAVLFSK-GOSISDBHSA-N 1 0 395.503 4.258 20 0 GIADRO Cc1ccc(C2CC([NH2+]Cc3ccc(C(=O)N4C[C@@H](C)O[C@H](C)C4)cc3)C2)cc1 ZINC000180535306 822697854 /nfs/dbraw/zinc/69/78/54/822697854.db2.gz LKSLTMGNOVZEEZ-UOYQGRGCSA-N 1 0 392.543 4.280 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)Nc1ccc([C@@H]2CCOC2)cc1 ZINC000455677433 822698312 /nfs/dbraw/zinc/69/83/12/822698312.db2.gz VHAFPEKQNSQENA-UYAOXDASSA-N 1 0 383.492 4.132 20 0 GIADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1ccc(C2CCC2)cn1 ZINC000455683653 822700223 /nfs/dbraw/zinc/70/02/23/822700223.db2.gz XXMNQYJDKKYPTB-OAQYLSRUSA-N 1 0 393.535 4.263 20 0 GIADRO Cc1csc([C@@H](NC(=O)NCCCCC[NH+]2CCCCC2)C(F)(F)F)n1 ZINC000455684861 822700693 /nfs/dbraw/zinc/70/06/93/822700693.db2.gz IJZOVYCRFQDVAO-CQSZACIVSA-N 1 0 392.491 4.010 20 0 GIADRO O=S(=O)(CCC[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1)c1ccccc1 ZINC000180556071 822701672 /nfs/dbraw/zinc/70/16/72/822701672.db2.gz DQULWTLKTBYOPT-KRWDZBQOSA-N 1 0 389.414 4.273 20 0 GIADRO COCC[C@](C)(O)C[NH2+][C@H](c1ccccc1)c1cc(Br)ccc1F ZINC000180556625 822701797 /nfs/dbraw/zinc/70/17/97/822701797.db2.gz CFIYGLOYYJZQGT-MOPGFXCFSA-N 1 0 396.300 4.055 20 0 GIADRO Cn1cc([C@H]([NH2+][C@@H]2CCCN(c3cccc(F)c3)C2)c2cccc(F)c2)cn1 ZINC000180560043 822702518 /nfs/dbraw/zinc/70/25/18/822702518.db2.gz UZWTXZULJKANKQ-IFMALSPDSA-N 1 0 382.458 4.046 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(N[C@@H](c2cnn(C)c2)c2cccc(F)c2)CC1 ZINC000180559478 822702573 /nfs/dbraw/zinc/70/25/73/822702573.db2.gz DWANMPPZUXQYIL-HOYKHHGWSA-N 1 0 392.522 4.464 20 0 GIADRO C[C@H]([NH2+][C@H]1CCc2c1cccc2Br)c1ccc(-n2cncn2)cc1 ZINC000180562415 822703082 /nfs/dbraw/zinc/70/30/82/822703082.db2.gz OLPXMIRGVZNDGW-DJJJIMSYSA-N 1 0 383.293 4.368 20 0 GIADRO CC(C)n1cnnc1-c1ccccc1NC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000180562732 822703143 /nfs/dbraw/zinc/70/31/43/822703143.db2.gz LEXIUGQZFKIDFM-UHFFFAOYSA-N 1 0 398.555 4.112 20 0 GIADRO O[C@@H](C[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1)COCc1cccs1 ZINC000180569050 822704037 /nfs/dbraw/zinc/70/40/37/822704037.db2.gz QPZCHEHOXGATFS-GOEBONIOSA-N 1 0 377.403 4.048 20 0 GIADRO C[C@H](CC(=O)N1CCC(CCC[NH+](C)C)CC1)C(=O)c1ccc(Cl)cc1 ZINC000180573333 822704744 /nfs/dbraw/zinc/70/47/44/822704744.db2.gz JVCUGUJSNBRGRU-MRXNPFEDSA-N 1 0 378.944 4.129 20 0 GIADRO CC1(C(=O)OCc2nc(-c3ccccc3)no2)CC[NH+](Cc2ccccc2)CC1 ZINC000184876032 822705403 /nfs/dbraw/zinc/70/54/03/822705403.db2.gz MWEDIBIAXXSKAX-UHFFFAOYSA-N 1 0 391.471 4.082 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)c1ccc(-n2cncn2)cc1 ZINC000184884451 822707020 /nfs/dbraw/zinc/70/70/20/822707020.db2.gz NARQRADKLAZMTF-STQMWFEESA-N 1 0 387.281 4.147 20 0 GIADRO O=C(Nc1nc(CC(F)(F)F)cs1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000455703561 822707205 /nfs/dbraw/zinc/70/72/05/822707205.db2.gz QHSFLQPWSPWPFY-UHFFFAOYSA-N 1 0 398.454 4.034 20 0 GIADRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]3c3cc(F)c(F)c(F)c3)C2)CC1 ZINC000184887588 822707592 /nfs/dbraw/zinc/70/75/92/822707592.db2.gz VHFVBLOOJYGBQD-CGTJXYLNSA-N 1 0 394.481 4.178 20 0 GIADRO Cc1ccc(F)c(Br)c1NC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000455704442 822707618 /nfs/dbraw/zinc/70/76/18/822707618.db2.gz AEGHOARVZUFEPW-OAHLLOKOSA-N 1 0 394.288 4.321 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)N(Cc3ccccc3)C(C)C)c2)CC1 ZINC000184891923 822708400 /nfs/dbraw/zinc/70/84/00/822708400.db2.gz NMTFWPBWELGBIP-UHFFFAOYSA-N 1 0 380.536 4.271 20 0 GIADRO Cc1ccc([C@H]([NH2+]CC2(CS(C)(=O)=O)CC2)c2ccccc2Cl)cc1 ZINC000180600173 822708790 /nfs/dbraw/zinc/70/87/90/822708790.db2.gz MMSMOSJITTZPKR-IBGZPJMESA-N 1 0 377.937 4.152 20 0 GIADRO C[C@@H](NC(=O)N1CCC([NH+]2CCCCC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000049795567 822710007 /nfs/dbraw/zinc/71/00/07/822710007.db2.gz CSLCVEGXAFOIFD-OAHLLOKOSA-N 1 0 383.458 4.426 20 0 GIADRO CCN(C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1)[C@@H](C)c1cccc(O)c1 ZINC000184906790 822711149 /nfs/dbraw/zinc/71/11/49/822711149.db2.gz NDRNWNHZZDQJQW-SFHVURJKSA-N 1 0 396.535 4.149 20 0 GIADRO C[C@H]([NH2+]CCC(=O)NC1CCCC1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000180609620 822711512 /nfs/dbraw/zinc/71/15/12/822711512.db2.gz WRUNYLPWZZARAZ-INIZCTEOSA-N 1 0 397.494 4.178 20 0 GIADRO CC(C)C[NH+]1CCN(CC(=O)Nc2ccccc2Sc2ccccc2)CC1 ZINC000049969028 822712763 /nfs/dbraw/zinc/71/27/63/822712763.db2.gz XXHDWLMJNVSTGN-UHFFFAOYSA-N 1 0 383.561 4.050 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccccc2OCCF)[C@@H]1c1cccs1 ZINC000455720630 822713202 /nfs/dbraw/zinc/71/32/02/822713202.db2.gz GMPNFDISEYJMFE-DNVCBOLYSA-N 1 0 391.512 4.301 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)c1ccc(C(C)(C)C)cc1 ZINC000184923139 822713556 /nfs/dbraw/zinc/71/35/56/822713556.db2.gz YOHVHMCOYNATAV-QGZVFWFLSA-N 1 0 386.561 4.375 20 0 GIADRO COc1cc(OC)c(OC)cc1C[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000180620286 822714076 /nfs/dbraw/zinc/71/40/76/822714076.db2.gz ARHUXKXBDFCQCG-MSOLQXFVSA-N 1 0 389.492 4.174 20 0 GIADRO COC(=O)c1sc2ccccc2c1C[N@@H+]1CCC[C@@H](c2nncn2C(C)C)C1 ZINC000180621513 822714302 /nfs/dbraw/zinc/71/43/02/822714302.db2.gz HVGRFXGYCKBOFT-OAHLLOKOSA-N 1 0 398.532 4.240 20 0 GIADRO C[C@H](C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)c1cn(C)c2ccccc12 ZINC000184927390 822714434 /nfs/dbraw/zinc/71/44/34/822714434.db2.gz MFXVIHYAVSQNOI-LAUBAEHRSA-N 1 0 379.504 4.218 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccccc1OCCF ZINC000455725856 822714626 /nfs/dbraw/zinc/71/46/26/822714626.db2.gz RZCAMGINVUBPHF-IBGZPJMESA-N 1 0 385.483 4.021 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)Nc2ccccc2OCCF)CC1 ZINC000455728025 822715388 /nfs/dbraw/zinc/71/53/88/822715388.db2.gz YTQLFTPMPJSRKB-UHFFFAOYSA-N 1 0 385.483 4.163 20 0 GIADRO COc1ccc(Cl)c(NC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000050059722 822716657 /nfs/dbraw/zinc/71/66/57/822716657.db2.gz HDXLMOXUHJBYDQ-AWEZNQCLSA-N 1 0 393.940 4.444 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)Nc2nc(CC(F)(F)F)cs2)C1 ZINC000455734103 822716786 /nfs/dbraw/zinc/71/67/86/822716786.db2.gz XIMNOVNMWIPJCW-TZMCWYRMSA-N 1 0 398.454 4.205 20 0 GIADRO CC(C)OC[C@H](O)C[NH2+][C@H](C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000184957346 822718400 /nfs/dbraw/zinc/71/84/00/822718400.db2.gz GPPBYKKUGWIQKH-IUODEOHRSA-N 1 0 399.354 4.009 20 0 GIADRO Cc1ccc(F)c(Br)c1NC(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000455744958 822718405 /nfs/dbraw/zinc/71/84/05/822718405.db2.gz GDFMUJXNSODCLN-UHFFFAOYSA-N 1 0 398.276 4.085 20 0 GIADRO Cc1csc2nc(C[NH2+][C@H](Cc3ccccc3)c3cccs3)cc(=O)n12 ZINC000184973586 822720125 /nfs/dbraw/zinc/72/01/25/822720125.db2.gz NKISBVQEQJLMGA-QGZVFWFLSA-N 1 0 381.526 4.200 20 0 GIADRO CCCn1ncc(NC(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1C1CC1 ZINC000455760054 822721258 /nfs/dbraw/zinc/72/12/58/822721258.db2.gz VOODPPFEBKUPHL-HXUWFJFHSA-N 1 0 395.551 4.299 20 0 GIADRO CCCn1ncc(NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)c1C1CC1 ZINC000455760295 822721315 /nfs/dbraw/zinc/72/13/15/822721315.db2.gz VSJAQXJGFMPQGB-UHFFFAOYSA-N 1 0 387.572 4.290 20 0 GIADRO CC(=O)c1ccc(NC(=O)C[NH2+][C@H](Cc2ccccc2)c2cccs2)cc1 ZINC000184993645 822722832 /nfs/dbraw/zinc/72/28/32/822722832.db2.gz RHFUKGVXZMOMPF-HXUWFJFHSA-N 1 0 378.497 4.463 20 0 GIADRO Cc1ccc(C[N@H+](CCc2ccccc2)CC(=O)Nc2c(C)n[nH]c2C)s1 ZINC000050275273 822723520 /nfs/dbraw/zinc/72/35/20/822723520.db2.gz LXWYZSAESXVXBA-UHFFFAOYSA-N 1 0 382.533 4.080 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)CCCOCc3ccccc3)c(C)c2)CC1 ZINC000050291126 822723854 /nfs/dbraw/zinc/72/38/54/822723854.db2.gz ASBPLIMRKIHWIX-UHFFFAOYSA-N 1 0 395.547 4.072 20 0 GIADRO CC(C)Oc1cccc(NC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000455773204 822723899 /nfs/dbraw/zinc/72/38/99/822723899.db2.gz UFEJFBITIGQTFC-FQEVSTJZSA-N 1 0 381.520 4.460 20 0 GIADRO CC(C)Oc1cccc(NC(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)c1 ZINC000455777339 822724766 /nfs/dbraw/zinc/72/47/66/822724766.db2.gz GFRFWSZEZPTAOJ-KRWDZBQOSA-N 1 0 382.508 4.216 20 0 GIADRO CCOc1ccc(C[NH2+][C@@H](C)c2ccc(Br)cc2O)cc1OC ZINC000185009923 822724873 /nfs/dbraw/zinc/72/48/73/822724873.db2.gz LVFMSVHCASMHIQ-LBPRGKRZSA-N 1 0 380.282 4.413 20 0 GIADRO Brc1ccsc1C[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000185037390 822727793 /nfs/dbraw/zinc/72/77/93/822727793.db2.gz HJRYODDKDNUJIL-UHFFFAOYSA-N 1 0 380.336 4.361 20 0 GIADRO CCCCn1cc(C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)c(C)n1 ZINC000185041442 822728189 /nfs/dbraw/zinc/72/81/89/822728189.db2.gz LCFSIWGBQRGRLQ-SFHVURJKSA-N 1 0 396.457 4.043 20 0 GIADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)Nc2ccccc2C(C)(F)F)cc1 ZINC000455797049 822728353 /nfs/dbraw/zinc/72/83/53/822728353.db2.gz WKQHEDJELSENHQ-SFHVURJKSA-N 1 0 377.435 4.231 20 0 GIADRO CC(C)C(=O)c1ccc(NC(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)cc1 ZINC000455798266 822728542 /nfs/dbraw/zinc/72/85/42/822728542.db2.gz PMUDPMKVRCHQCK-QGZVFWFLSA-N 1 0 394.519 4.267 20 0 GIADRO C[NH+](C)CCOc1ccc(CNC(=O)Nc2ccccc2C(C)(F)F)cc1 ZINC000455816353 822731583 /nfs/dbraw/zinc/73/15/83/822731583.db2.gz WSAHJZOJUXTZHQ-UHFFFAOYSA-N 1 0 377.435 4.060 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N[C@H](CCO)c3ccc(Cl)cc3)ccc21 ZINC000455837635 822734602 /nfs/dbraw/zinc/73/46/02/822734602.db2.gz BPHWWDWZBKJAEV-WOJBJXKFSA-N 1 0 387.911 4.134 20 0 GIADRO CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455840227 822735073 /nfs/dbraw/zinc/73/50/73/822735073.db2.gz DCYZIZNJUPKUAK-OREJSRFESA-N 1 0 385.483 4.272 20 0 GIADRO CO[C@H](c1ccccc1F)[C@H](C)NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455840229 822735118 /nfs/dbraw/zinc/73/51/18/822735118.db2.gz DCYZIZNJUPKUAK-WVFSVQOHSA-N 1 0 385.483 4.272 20 0 GIADRO Fc1ccc([C@@H](Cn2cnc3ccccc32)[NH2+]CCOCC(F)(F)F)cc1 ZINC000185089425 822735410 /nfs/dbraw/zinc/73/54/10/822735410.db2.gz STIAGLMNDVAXED-QGZVFWFLSA-N 1 0 381.373 4.085 20 0 GIADRO COc1cc2c(cc1Cl)CN(C(=O)Nc1ccc3c(c1)CC[C@@H]3[NH+](C)C)CC2 ZINC000455842629 822735515 /nfs/dbraw/zinc/73/55/15/822735515.db2.gz FSHIOHBUVPSOLL-FQEVSTJZSA-N 1 0 399.922 4.488 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCC[C@H]3COc3ccccc3)ccc21 ZINC000455843343 822735682 /nfs/dbraw/zinc/73/56/82/822735682.db2.gz GPUVUYVHRWVIQW-SIKLNZKXSA-N 1 0 379.504 4.311 20 0 GIADRO CC(C)c1ncsc1NC(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000455844565 822735891 /nfs/dbraw/zinc/73/58/91/822735891.db2.gz LACFRVBIMJGBLK-HOTGVXAUSA-N 1 0 394.585 4.010 20 0 GIADRO O=S1(=O)CCCN1c1cccc(C[NH2+]Cc2cc(-c3ccccc3)cs2)c1 ZINC000185092302 822735921 /nfs/dbraw/zinc/73/59/21/822735921.db2.gz ROPQIYWRZVELAJ-UHFFFAOYSA-N 1 0 398.553 4.245 20 0 GIADRO Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000050680038 822735971 /nfs/dbraw/zinc/73/59/71/822735971.db2.gz QEEBOTDYRURLDF-UHFFFAOYSA-N 1 0 393.531 4.229 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCc4[nH]c5ccc(F)cc5c4C3)ccc21 ZINC000455850193 822736710 /nfs/dbraw/zinc/73/67/10/822736710.db2.gz KKQLYHWJAISRMR-JOCHJYFZSA-N 1 0 392.478 4.446 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCc3ccc(OC(F)F)c(F)c3)ccc21 ZINC000455850335 822736716 /nfs/dbraw/zinc/73/67/16/822736716.db2.gz KUCKOIKYLXPGKQ-QGZVFWFLSA-N 1 0 393.409 4.298 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CC[C@@]4(C3)CCc3ccccc3O4)ccc21 ZINC000455853997 822737477 /nfs/dbraw/zinc/73/74/77/822737477.db2.gz MUGVYYGFHAQURG-XUZZJYLKSA-N 1 0 391.515 4.237 20 0 GIADRO C[C@H]([NH2+]C1CCN(c2ccccc2)CC1)c1ccc(Br)cc1O ZINC000185104540 822737586 /nfs/dbraw/zinc/73/75/86/822737586.db2.gz YQIGCTHXXBZKFI-AWEZNQCLSA-N 1 0 375.310 4.474 20 0 GIADRO C[C@H](CCO)N(Cc1ccccc1)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455859024 822738395 /nfs/dbraw/zinc/73/83/95/822738395.db2.gz PMYCZVOXTHQDND-VGSWGCGISA-N 1 0 381.520 4.041 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N(Cc3ccccc3)CC(C)(C)O)ccc21 ZINC000455859918 822738528 /nfs/dbraw/zinc/73/85/28/822738528.db2.gz QJAWEERIVZOCKD-NRFANRHFSA-N 1 0 381.520 4.041 20 0 GIADRO CN(C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000455859820 822738570 /nfs/dbraw/zinc/73/85/70/822738570.db2.gz QDBVYKBQUXJIMU-NHCUHLMSSA-N 1 0 389.503 4.212 20 0 GIADRO CN(C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000455859818 822738574 /nfs/dbraw/zinc/73/85/74/822738574.db2.gz QDBVYKBQUXJIMU-LEWJYISDSA-N 1 0 389.503 4.212 20 0 GIADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000455860359 822738790 /nfs/dbraw/zinc/73/87/90/822738790.db2.gz MCJPCQBYUJPQFS-BHYGNILZSA-N 1 0 381.347 4.287 20 0 GIADRO O=C(Nc1cccc(CN2CCCCC2=O)c1)c1cccc(C[NH+]2CCCC2)c1 ZINC000050796000 822738871 /nfs/dbraw/zinc/73/88/71/822738871.db2.gz DZYCXQPRRVNPAR-UHFFFAOYSA-N 1 0 391.515 4.047 20 0 GIADRO COc1cccc(C2=CCN(C(=O)Nc3ccc4c(c3)CC[C@H]4[NH+](C)C)C2)c1 ZINC000455865949 822739411 /nfs/dbraw/zinc/73/94/11/822739411.db2.gz URWWUYQOZPTJAO-JOCHJYFZSA-N 1 0 377.488 4.175 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CC(C)(C)O[C@](C)(C(F)(F)F)C3)ccc21 ZINC000455868681 822739868 /nfs/dbraw/zinc/73/98/68/822739868.db2.gz VUOVIOLZRPLABN-APWZRJJASA-N 1 0 399.457 4.199 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1)c1cc2c(cc1O)CCCC2 ZINC000185131944 822740953 /nfs/dbraw/zinc/74/09/53/822740953.db2.gz FSFVBQMCWHOBKD-WAIKUNEKSA-N 1 0 394.515 4.239 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1cc2c(cc1O)CCCC2 ZINC000185131882 822741022 /nfs/dbraw/zinc/74/10/22/822741022.db2.gz FSFVBQMCWHOBKD-HJPURHCSSA-N 1 0 394.515 4.239 20 0 GIADRO CCN(Cc1ccc(OC)cc1OC)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455876265 822741055 /nfs/dbraw/zinc/74/10/55/822741055.db2.gz BHHYAPWBQPRDOO-OAQYLSRUSA-N 1 0 397.519 4.307 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(-n2ccnc2)c(F)c1)c1cc(Br)ccc1O ZINC000185134076 822741331 /nfs/dbraw/zinc/74/13/31/822741331.db2.gz UDZLQOMIIJLRGK-GFCCVEGCSA-N 1 0 390.256 4.330 20 0 GIADRO CCc1ccc(NC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1OC ZINC000455884480 822742243 /nfs/dbraw/zinc/74/22/43/822742243.db2.gz WIAIJCWQOCNDDI-UHFFFAOYSA-N 1 0 396.535 4.423 20 0 GIADRO C[N@H+](C[C@H]1CCCO[C@@H]1c1ccccc1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000050928079 822742644 /nfs/dbraw/zinc/74/26/44/822742644.db2.gz WFLMOJJPCIMLFT-WIYYLYMNSA-N 1 0 380.448 4.002 20 0 GIADRO C[N@H+](CC(=O)Nc1cccc(CSc2ccccn2)c1)C(C1CC1)C1CC1 ZINC000050965707 822743405 /nfs/dbraw/zinc/74/34/05/822743405.db2.gz CQCYWBJQXFESSJ-UHFFFAOYSA-N 1 0 381.545 4.433 20 0 GIADRO O=C(Nc1cccc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)c1)c1ccco1 ZINC000051012971 822744024 /nfs/dbraw/zinc/74/40/24/822744024.db2.gz UCZVYBNTCTWUSG-UHFFFAOYSA-N 1 0 389.455 4.380 20 0 GIADRO CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455896901 822744336 /nfs/dbraw/zinc/74/43/36/822744336.db2.gz DISAQNGJZZRGHI-OREJSRFESA-N 1 0 385.483 4.272 20 0 GIADRO C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000185162204 822744503 /nfs/dbraw/zinc/74/45/03/822744503.db2.gz NXAPHUKFCHNEJD-COPCDDAFSA-N 1 0 378.520 4.011 20 0 GIADRO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000051049243 822744934 /nfs/dbraw/zinc/74/49/34/822744934.db2.gz DWEVDEHKYBFBRM-SIKLNZKXSA-N 1 0 395.547 4.177 20 0 GIADRO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000051049325 822744944 /nfs/dbraw/zinc/74/49/44/822744944.db2.gz WDPLAAMNQDUUII-PZJWPPBQSA-N 1 0 395.547 4.177 20 0 GIADRO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000051061671 822745525 /nfs/dbraw/zinc/74/55/25/822745525.db2.gz UQZVOFSIVVLOOY-INIZCTEOSA-N 1 0 375.900 4.123 20 0 GIADRO Cc1ccccc1CN(C)C(=O)[C@H](C)[N@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132472 822747201 /nfs/dbraw/zinc/74/72/01/822747201.db2.gz HCNUXIBQFVIFFX-NKKJXINNSA-N 1 0 394.559 4.442 20 0 GIADRO C[N@@H+](CC(=O)Nc1ccnn1C1CCCC1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132977 822747243 /nfs/dbraw/zinc/74/72/43/822747243.db2.gz VRRQQYFHUPBGAN-WMZHIEFXSA-N 1 0 396.535 4.036 20 0 GIADRO COc1ccccc1NC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133329 822747456 /nfs/dbraw/zinc/74/74/56/822747456.db2.gz NZOGYYMTDKRNOR-LQBOVUBWSA-N 1 0 382.504 4.122 20 0 GIADRO COc1ccc2c(C[N@H+](C)C[C@@H]3CCCO[C@@H]3c3ccccc3)cc(=O)oc2c1 ZINC000051133613 822747752 /nfs/dbraw/zinc/74/77/52/822747752.db2.gz MSVWTVCTEWJFCP-MHECFPHRSA-N 1 0 393.483 4.401 20 0 GIADRO COc1c(C)cnc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)c1C ZINC000051189518 822749875 /nfs/dbraw/zinc/74/98/75/822749875.db2.gz DBTIUHYWMKIAFV-UHFFFAOYSA-N 1 0 399.498 4.245 20 0 GIADRO CS(=O)(=O)CCCCC[NH2+]Cc1c(Cl)cccc1Oc1ccccc1 ZINC000185212824 822749983 /nfs/dbraw/zinc/74/99/83/822749983.db2.gz LVKXUYVXZBGZAW-UHFFFAOYSA-N 1 0 381.925 4.437 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)NC(C)(C)CCC(=O)OC(C)(C)C)ccc21 ZINC000455922574 822750108 /nfs/dbraw/zinc/75/01/08/822750108.db2.gz MHWZHESJWNIFLW-SFHVURJKSA-N 1 0 389.540 4.258 20 0 GIADRO Cc1nc(NC(=O)N2CCC[N@@H+](C)CC2)sc1Cc1ccc(Cl)cc1F ZINC000455924634 822750409 /nfs/dbraw/zinc/75/04/09/822750409.db2.gz XPRLOABQTQEMLJ-UHFFFAOYSA-N 1 0 396.919 4.004 20 0 GIADRO CO[C@@H](CNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)c1cccc(Cl)c1 ZINC000455925149 822750457 /nfs/dbraw/zinc/75/04/57/822750457.db2.gz MXGDJBUVXIOTGG-PMACEKPBSA-N 1 0 387.911 4.398 20 0 GIADRO CC(C)(C)OC(=O)NC[C@@H]([NH2+]Cc1coc(-c2c(F)cccc2F)n1)C1CC1 ZINC000185218395 822750550 /nfs/dbraw/zinc/75/05/50/822750550.db2.gz ZSOWGNTWHJMBFO-MRXNPFEDSA-N 1 0 393.434 4.013 20 0 GIADRO C[N@H+](Cc1ccccc1)[C@H](CNCc1csc(-c2ccccn2)n1)C1CC1 ZINC000185222845 822751047 /nfs/dbraw/zinc/75/10/47/822751047.db2.gz VWSPPEOGFDFZQI-OAQYLSRUSA-N 1 0 378.545 4.205 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCC[C@@H]3c3nc4ccccc4[nH]3)ccc21 ZINC000455928052 822751111 /nfs/dbraw/zinc/75/11/11/822751111.db2.gz NTHYMPHISLYKPB-NHCUHLMSSA-N 1 0 389.503 4.481 20 0 GIADRO CC(C)[C@H]1C[C@H]1C(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000185224406 822751466 /nfs/dbraw/zinc/75/14/66/822751466.db2.gz OYTWVGOGZNKHHO-RTBURBONSA-N 1 0 382.470 4.420 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC[C@@H]3SCCc4ccccc43)ccc21 ZINC000455929980 822751498 /nfs/dbraw/zinc/75/14/98/822751498.db2.gz OONISDGGSLGXOZ-RTWAWAEBSA-N 1 0 381.545 4.388 20 0 GIADRO CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000051237675 822751653 /nfs/dbraw/zinc/75/16/53/822751653.db2.gz CUKACADQMOWWDK-RBBKRZOGSA-N 1 0 381.520 4.380 20 0 GIADRO COc1ccc(OC)c([C@H](C)NC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)c1 ZINC000455932568 822752188 /nfs/dbraw/zinc/75/21/88/822752188.db2.gz QBBPUVXCEGFUKG-XOBRGWDASA-N 1 0 383.492 4.135 20 0 GIADRO Cc1nc(COc2ccc(C[NH2+]C3(Cc4cccc(F)c4)CCC3)cc2)no1 ZINC000185230411 822752209 /nfs/dbraw/zinc/75/22/09/822752209.db2.gz APOGHZHCTWGHJN-UHFFFAOYSA-N 1 0 381.451 4.351 20 0 GIADRO COc1ccc([C@H]2CCN(C(=O)Nc3ccc4c(c3)CC[C@@H]4[NH+](C)C)C2)cc1 ZINC000455933984 822752511 /nfs/dbraw/zinc/75/25/11/822752511.db2.gz QWWXHQSTLFGRJL-AVRDEDQJSA-N 1 0 379.504 4.266 20 0 GIADRO CC[C@@H](NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)c1ccc2c(c1)OCCO2 ZINC000455935064 822752613 /nfs/dbraw/zinc/75/26/13/822752613.db2.gz RGDDHXJUYDXFTG-UXHICEINSA-N 1 0 395.503 4.280 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)NCCCC(F)(F)F)CC1 ZINC000455936601 822753164 /nfs/dbraw/zinc/75/31/64/822753164.db2.gz CKUOCFJHYIEZBW-UHFFFAOYSA-N 1 0 393.837 4.277 20 0 GIADRO C[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000185239935 822753439 /nfs/dbraw/zinc/75/34/39/822753439.db2.gz LOPUKPCRCCCXQP-UHFFFAOYSA-N 1 0 383.876 4.080 20 0 GIADRO COc1ccc(C[C@@H](C)C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)cc1F ZINC000185242612 822753717 /nfs/dbraw/zinc/75/37/17/822753717.db2.gz ZTAFVJQLUHABRC-QGZVFWFLSA-N 1 0 390.543 4.174 20 0 GIADRO C[C@H]1CC[C@H](C)N(C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)C1 ZINC000455940440 822753909 /nfs/dbraw/zinc/75/39/09/822753909.db2.gz HVQVNQVSTJICOT-GJZGRUSLSA-N 1 0 379.932 4.465 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N(Cc3ccco3)C[C@H]3CCCO3)ccc21 ZINC000455943841 822754881 /nfs/dbraw/zinc/75/48/81/822754881.db2.gz VOOYYRNCPKQUEA-TZIWHRDSSA-N 1 0 383.492 4.042 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCc1cccc(OC(F)F)c1 ZINC000051302343 822755029 /nfs/dbraw/zinc/75/50/29/822755029.db2.gz BKZOIXCPQKMQII-UHFFFAOYSA-N 1 0 391.462 4.128 20 0 GIADRO CC1=C[C@H](C)CN(C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)C1 ZINC000455946335 822755719 /nfs/dbraw/zinc/75/57/19/822755719.db2.gz PUBPNNHXYJCHGD-AWEZNQCLSA-N 1 0 377.916 4.243 20 0 GIADRO COc1ccc([C@H](C)NC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)cc1OC ZINC000455946174 822755738 /nfs/dbraw/zinc/75/57/38/822755738.db2.gz WVFVHAIZOWHTMJ-LIRRHRJNSA-N 1 0 383.492 4.135 20 0 GIADRO C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185258813 822755766 /nfs/dbraw/zinc/75/57/66/822755766.db2.gz IIILGQZNLPSMEQ-JFIYKMOQSA-N 1 0 390.955 4.318 20 0 GIADRO CC[C@H](C(=O)N1CCC([NH2+][C@@H](C)c2cc(F)ccc2O)CC1)c1ccccc1 ZINC000185260142 822756077 /nfs/dbraw/zinc/75/60/77/822756077.db2.gz JKHRJQYKKMNDIK-JXFKEZNVSA-N 1 0 384.495 4.367 20 0 GIADRO CC[C@H](C(=O)N1CCC([NH2+][C@H](C)c2cc(F)ccc2O)CC1)c1ccccc1 ZINC000185260177 822756129 /nfs/dbraw/zinc/75/61/29/822756129.db2.gz JKHRJQYKKMNDIK-UZLBHIALSA-N 1 0 384.495 4.367 20 0 GIADRO Fc1ccccc1[C@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)C1CCCC1 ZINC000185266764 822756925 /nfs/dbraw/zinc/75/69/25/822756925.db2.gz KGZXQMZYNIBGHY-OAQYLSRUSA-N 1 0 387.474 4.218 20 0 GIADRO CCOc1cccc2cc([C@H](C)[NH2+]Cc3cnc(N4CCOCC4)c(F)c3)oc21 ZINC000185269120 822757285 /nfs/dbraw/zinc/75/72/85/822757285.db2.gz MPUAIOYMHKQDJC-HNNXBMFYSA-N 1 0 399.466 4.053 20 0 GIADRO O=C(Nc1cc(Cl)cc(Br)c1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000455966206 822758421 /nfs/dbraw/zinc/75/84/21/822758421.db2.gz GGPUAMXNGBXGLT-OAHLLOKOSA-N 1 0 386.721 4.195 20 0 GIADRO COc1ccc(C[C@H](C)C[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)cc1F ZINC000185281159 822758849 /nfs/dbraw/zinc/75/88/49/822758849.db2.gz LZRTUOSBUKQKDX-JKSUJKDBSA-N 1 0 386.467 4.320 20 0 GIADRO O=C(Nc1cc(Cl)cc(Br)c1)NC1CC[NH+](C2CCC2)CC1 ZINC000455968452 822758901 /nfs/dbraw/zinc/75/89/01/822758901.db2.gz JOKFEDATHBSTEQ-UHFFFAOYSA-N 1 0 386.721 4.241 20 0 GIADRO Cc1c(Cl)cccc1NC(=O)CC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000185283079 822759382 /nfs/dbraw/zinc/75/93/82/822759382.db2.gz KZEKGJFVJVDZPT-UHFFFAOYSA-N 1 0 382.247 4.328 20 0 GIADRO COc1ccc(C[C@H](C)C[NH2+]C2CCN(C(=O)c3ccc(C)cc3)CC2)cc1F ZINC000185285185 822759639 /nfs/dbraw/zinc/75/96/39/822759639.db2.gz NGVQUEASLFQOKQ-SFHVURJKSA-N 1 0 398.522 4.216 20 0 GIADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)Nc3cc(Cl)cc(Br)c3)C2)C1 ZINC000455973955 822759741 /nfs/dbraw/zinc/75/97/41/822759741.db2.gz RTDHTXQMOKJHMC-INIZCTEOSA-N 1 0 386.721 4.052 20 0 GIADRO Cc1cnc([C@H]([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)C2CC2)s1 ZINC000185286669 822759829 /nfs/dbraw/zinc/75/98/29/822759829.db2.gz FKUBDAAQCOQGCN-CZUORRHYSA-N 1 0 387.332 4.239 20 0 GIADRO CC1CC[NH+](C2CCC(NC(=O)[C@H]3C[C@H]3c3cc(F)c(F)c(F)c3)CC2)CC1 ZINC000185286508 822759855 /nfs/dbraw/zinc/75/98/55/822759855.db2.gz LJECVGVXKZYBJO-FOIPXRHGSA-N 1 0 394.481 4.367 20 0 GIADRO O=S(=O)(c1ccc(NCc2ccc(C[NH+]3CCCCC3)cc2)cc1)C(F)F ZINC000051454275 822760690 /nfs/dbraw/zinc/76/06/90/822760690.db2.gz NHPLXMGCXPXURY-UHFFFAOYSA-N 1 0 394.487 4.281 20 0 GIADRO Cc1cnc([C@H]([NH2+]Cc2ccc(I)cc2)C2CC2)s1 ZINC000185298401 822761678 /nfs/dbraw/zinc/76/16/78/822761678.db2.gz GNDDMCIWVTUFGP-CQSZACIVSA-N 1 0 384.286 4.297 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1nc2ccccc2s1 ZINC000174279505 822761982 /nfs/dbraw/zinc/76/19/82/822761982.db2.gz HJKIMKNATMPUFW-KRWDZBQOSA-N 1 0 380.517 4.282 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)CC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000185301014 822762253 /nfs/dbraw/zinc/76/22/53/822762253.db2.gz VLAOCDASOXDFES-UHFFFAOYSA-N 1 0 398.246 4.029 20 0 GIADRO CC(C)C[C@@H](C)C(=O)Nc1ccccc1N1CC[NH+](CCc2ccncc2)CC1 ZINC000185301712 822762274 /nfs/dbraw/zinc/76/22/74/822762274.db2.gz PYIONFZFKSDFFG-HXUWFJFHSA-N 1 0 394.563 4.067 20 0 GIADRO C[C@@H]([NH2+]C[C@@](C)(O)c1cccc(Cl)c1)c1ncc(Br)s1 ZINC000185304217 822762495 /nfs/dbraw/zinc/76/24/95/822762495.db2.gz AMVIZFWAELEQDE-YMTOWFKASA-N 1 0 375.719 4.117 20 0 GIADRO CCc1cnc(CC[NH2+][C@@H](C(=O)Nc2ccc(OC)cc2)c2ccccc2)s1 ZINC000174283352 822762775 /nfs/dbraw/zinc/76/27/75/822762775.db2.gz LASMZIUKKLBSRP-OAQYLSRUSA-N 1 0 395.528 4.226 20 0 GIADRO O=C(N[C@H](Cc1ccccc1)c1ccccc1F)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000174284606 822762967 /nfs/dbraw/zinc/76/29/67/822762967.db2.gz USARAQPUZJDUEV-NFBKMPQASA-N 1 0 395.522 4.237 20 0 GIADRO C[C@@H]([NH2+]C[C@@](C)(O)c1cccc(Cl)c1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000185314209 822764233 /nfs/dbraw/zinc/76/42/33/822764233.db2.gz HIBXNMYSYHBRBC-SPLOXXLWSA-N 1 0 387.911 4.182 20 0 GIADRO CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3ccc([N+](=O)[O-])c(Cl)c3)ccc2NC1=O ZINC000185318473 822765028 /nfs/dbraw/zinc/76/50/28/822765028.db2.gz HHZSYJKSZZNSAO-GTNSWQLSSA-N 1 0 389.839 4.209 20 0 GIADRO CC(C)[NH+]1CCC(N[C@@H](C)C(=O)Nc2ccccc2Oc2ccccc2)CC1 ZINC000174294551 822765280 /nfs/dbraw/zinc/76/52/80/822765280.db2.gz QROYNDRODGVMTC-SFHVURJKSA-N 1 0 381.520 4.268 20 0 GIADRO COCCN1CCC([NH2+][C@@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000174301819 822767250 /nfs/dbraw/zinc/76/72/50/822767250.db2.gz MGRSSFVNNXGCAB-LBPRGKRZSA-N 1 0 398.391 4.486 20 0 GIADRO CC[C@H](NC(=O)NCCC[NH+](C(C)C)C(C)C)c1nc(C(F)(F)F)cs1 ZINC000174309541 822768807 /nfs/dbraw/zinc/76/88/07/822768807.db2.gz NLVXWGVIHWVAFB-ZDUSSCGKSA-N 1 0 394.507 4.421 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)c2cc(Oc3ccccc3)ccn2)CC1 ZINC000174311299 822769100 /nfs/dbraw/zinc/76/91/00/822769100.db2.gz ZHLPUDXFNRQQIY-UHFFFAOYSA-N 1 0 381.520 4.458 20 0 GIADRO COc1ccc([C@H](NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c2ccc(F)cc2)cc1 ZINC000174324692 822771067 /nfs/dbraw/zinc/77/10/67/822771067.db2.gz IPPNSIAXDLASNG-QGCDCVKKSA-N 1 0 399.510 4.048 20 0 GIADRO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)NCc2ccc(COC(C)C)cc2)cc1 ZINC000051649537 822771554 /nfs/dbraw/zinc/77/15/54/822771554.db2.gz ITSZXTNYULXODY-HSZRJFAPSA-N 1 0 396.531 4.074 20 0 GIADRO CCOc1ccc([C@@H](C)NC(=O)C[N@@H+]2CCC[C@@H]2c2cccs2)cc1OC ZINC000051653244 822771615 /nfs/dbraw/zinc/77/16/15/822771615.db2.gz KRVRJSCYYBQGHV-NVXWUHKLSA-N 1 0 388.533 4.170 20 0 GIADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2ccc([C@@H](C)C(F)(F)F)cc2)cc1 ZINC000456061183 822772735 /nfs/dbraw/zinc/77/27/35/822772735.db2.gz RBDYUVXCAJPLCQ-KUHUBIRLSA-N 1 0 394.437 4.394 20 0 GIADRO CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000051676450 822773311 /nfs/dbraw/zinc/77/33/11/822773311.db2.gz FPTGWUBOCYLLKP-RTWAWAEBSA-N 1 0 387.568 4.060 20 0 GIADRO CC(=O)Nc1cc(NC(=O)N[C@H](C[N@H+](C)Cc2ccccc2)C(C)C)ccc1C ZINC000185375978 822774473 /nfs/dbraw/zinc/77/44/73/822774473.db2.gz VKRYQANQNZIOAH-JOCHJYFZSA-N 1 0 396.535 4.232 20 0 GIADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc(Br)cc(OC(C)C)c2)C1 ZINC000174343141 822775324 /nfs/dbraw/zinc/77/53/24/822775324.db2.gz KYMXWTHUMGYZPN-HNNXBMFYSA-N 1 0 397.357 4.040 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(Br)cc(OC(C)C)c2)C1 ZINC000174343993 822775412 /nfs/dbraw/zinc/77/54/12/822775412.db2.gz ODFVOIKAHAAUDF-OAHLLOKOSA-N 1 0 397.357 4.040 20 0 GIADRO C[C@H](NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1ccc(-c2ccncc2)cc1 ZINC000174344002 822775428 /nfs/dbraw/zinc/77/54/28/822775428.db2.gz KCEMGVLZXKSYDP-CVDCTZTESA-N 1 0 392.547 4.470 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)N(C)C(C1CC1)C1CC1)[NH+]1CCCCC1 ZINC000051710595 822775595 /nfs/dbraw/zinc/77/55/95/822775595.db2.gz XSXXNFRMXHGQON-HXUWFJFHSA-N 1 0 385.552 4.052 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(C(C)=O)c1 ZINC000174344997 822775645 /nfs/dbraw/zinc/77/56/45/822775645.db2.gz ZOLOEQRXURVJHS-FQEVSTJZSA-N 1 0 379.504 4.265 20 0 GIADRO CC(C)[NH+](CCCNC(=O)N1CCC[C@H](c2nc3ccccc3o2)C1)C(C)C ZINC000174353854 822776839 /nfs/dbraw/zinc/77/68/39/822776839.db2.gz ICSYGJRNMSBTAG-SFHVURJKSA-N 1 0 386.540 4.226 20 0 GIADRO CC(C)[NH+](CCCNC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)C(C)C ZINC000174354687 822777040 /nfs/dbraw/zinc/77/70/40/822777040.db2.gz TTXTYBFWXMRAHR-UHFFFAOYSA-N 1 0 391.400 4.022 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)cc1)C(=O)Nc1cccc2ncccc21 ZINC000174368306 822779025 /nfs/dbraw/zinc/77/90/25/822779025.db2.gz JUBDSFLHELDUKF-IRXDYDNUSA-N 1 0 385.471 4.098 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000174376939 822780620 /nfs/dbraw/zinc/78/06/20/822780620.db2.gz ZPIQBGNQLTYRMI-LSDHHAIUSA-N 1 0 398.894 4.212 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(Cl)cc1F ZINC000174393450 822783230 /nfs/dbraw/zinc/78/32/30/822783230.db2.gz DBOFGCASFFQTIA-INIZCTEOSA-N 1 0 375.875 4.465 20 0 GIADRO CC[N@@H+](Cc1nc(-c2cccc(C)c2)no1)CC1CCN(c2ccccn2)CC1 ZINC000174394285 822783363 /nfs/dbraw/zinc/78/33/63/822783363.db2.gz UXMXBWQGFOWCRH-UHFFFAOYSA-N 1 0 391.519 4.179 20 0 GIADRO Cn1cccc1[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000174395520 822783530 /nfs/dbraw/zinc/78/35/30/822783530.db2.gz IGTCFVYCBGZZOV-KNQAVFIVSA-N 1 0 383.511 4.130 20 0 GIADRO CCCCSc1ccc(Cl)cc1C(=O)NC1CC[NH+](CCOC)CC1 ZINC000185443841 822784611 /nfs/dbraw/zinc/78/46/11/822784611.db2.gz YYCFXIAMWVYFOQ-UHFFFAOYSA-N 1 0 384.973 4.073 20 0 GIADRO CN(Cc1nc2ccccc2n1C(F)F)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174399855 822784666 /nfs/dbraw/zinc/78/46/66/822784666.db2.gz GRBXAPPMLQKQRY-SFHVURJKSA-N 1 0 384.474 4.385 20 0 GIADRO CCc1cccc(CC)c1NC(=O)CN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174402289 822784950 /nfs/dbraw/zinc/78/49/50/822784950.db2.gz ZRWPCQVXISPJRK-NRFANRHFSA-N 1 0 393.575 4.204 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1Oc1cccnc1 ZINC000051982451 822785515 /nfs/dbraw/zinc/78/55/15/822785515.db2.gz YKNUPMHGLXXERD-UHFFFAOYSA-N 1 0 387.483 4.268 20 0 GIADRO CCOc1ccccc1[C@@H](CC(C)C)NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000174413896 822786763 /nfs/dbraw/zinc/78/67/63/822786763.db2.gz ZJYRIQHQAOBKDY-TZIWHRDSSA-N 1 0 387.568 4.300 20 0 GIADRO Cc1ccc([C@H](C[NH2+]Cc2ccc(Oc3cnccn3)cc2)N2CCCC2)o1 ZINC000174415076 822787021 /nfs/dbraw/zinc/78/70/21/822787021.db2.gz GBDUEKMFSURPSS-FQEVSTJZSA-N 1 0 378.476 4.097 20 0 GIADRO Cc1cc2c(cc1C)[C@@H](C(=O)Nc1cccc(C[NH+]3CCSCC3)c1C)CO2 ZINC000185467427 822787638 /nfs/dbraw/zinc/78/76/38/822787638.db2.gz JIRIPELNMNWNFJ-FQEVSTJZSA-N 1 0 396.556 4.275 20 0 GIADRO Cc1c(C(=O)NC(C)(C)CCC[NH+](C)C)cnn1-c1cccc(C(F)(F)F)c1 ZINC000456196807 822787671 /nfs/dbraw/zinc/78/76/71/822787671.db2.gz IIHXVSDCQUHWQK-UHFFFAOYSA-N 1 0 396.457 4.050 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc2c(c1)COC2)c1cccc(C(F)(F)F)c1 ZINC000185470082 822787766 /nfs/dbraw/zinc/78/77/66/822787766.db2.gz OWEMYJLIIZVUNK-SFHVURJKSA-N 1 0 393.409 4.160 20 0 GIADRO CC(C)Oc1ccc([C@@H](O)C[NH2+][C@H](C)c2ccc(Br)cc2O)cc1 ZINC000185470784 822787898 /nfs/dbraw/zinc/78/78/98/822787898.db2.gz XNGGXSJORYIIAY-YJYMSZOUSA-N 1 0 394.309 4.326 20 0 GIADRO O[C@@H](C[NH2+]C1CCN(Cc2ccccc2)CC1)c1c(Cl)cccc1Cl ZINC000174424020 822788173 /nfs/dbraw/zinc/78/81/73/822788173.db2.gz SNBPCQHPRRIHRC-IBGZPJMESA-N 1 0 379.331 4.281 20 0 GIADRO O[C@H]1CCC[C@H](C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)C1 ZINC000174427466 822788584 /nfs/dbraw/zinc/78/85/84/822788584.db2.gz BDCNIXYTJNEOFL-REWPJTCUSA-N 1 0 375.516 4.239 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)Nc2cc(F)c(OC)c(F)c2OC)cc1)C1CC1 ZINC000456238401 822789110 /nfs/dbraw/zinc/78/91/10/822789110.db2.gz BOZAMMGHOXZISC-UHFFFAOYSA-N 1 0 390.430 4.219 20 0 GIADRO C[C@@H]1CCN(Cc2nnc(-c3ccccc3Cl)o2)CC[N@@H+]1Cc1ccccc1 ZINC000174433752 822789438 /nfs/dbraw/zinc/78/94/38/822789438.db2.gz BVNPQJWMCWJSRP-QGZVFWFLSA-N 1 0 396.922 4.486 20 0 GIADRO CCOc1ccc(-c2nc(C[N@H+](CC)C[C@H]3CCOC3)cs2)cc1OC ZINC000052072459 822789633 /nfs/dbraw/zinc/78/96/33/822789633.db2.gz SYLYLRALWSFANP-OAHLLOKOSA-N 1 0 376.522 4.076 20 0 GIADRO COc1cc(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)ccc1OC(F)F ZINC000456254565 822790475 /nfs/dbraw/zinc/79/04/75/822790475.db2.gz BBSOGKMHGDUEEG-INIZCTEOSA-N 1 0 376.403 4.098 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)Cc3csc(Cc4ccccc4)n3)ccc21 ZINC000456255553 822790654 /nfs/dbraw/zinc/79/06/54/822790654.db2.gz CFTQUPCBGAIBTH-OAQYLSRUSA-N 1 0 391.540 4.464 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)c3ccc(OCC(F)(F)F)cc3)ccc21 ZINC000456256617 822790688 /nfs/dbraw/zinc/79/06/88/822790688.db2.gz CQTKKVPLJBGKER-SFHVURJKSA-N 1 0 378.394 4.429 20 0 GIADRO CC(C)Cn1ncc(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)c1C(F)F ZINC000456261413 822791329 /nfs/dbraw/zinc/79/13/29/822791329.db2.gz FUTNTKBWNBYEOW-KRWDZBQOSA-N 1 0 376.451 4.278 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)c3ccc4nc(C(F)(F)F)cn4c3)ccc21 ZINC000456267227 822791964 /nfs/dbraw/zinc/79/19/64/822791964.db2.gz INDPFRJSHQTQBY-MRXNPFEDSA-N 1 0 388.393 4.154 20 0 GIADRO CSCc1nc2ccccc2n1CC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000456268280 822791984 /nfs/dbraw/zinc/79/19/84/822791984.db2.gz JGTNRWZFQOWIRO-IBGZPJMESA-N 1 0 394.544 4.087 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)Cc3cccc(OCC(F)(F)F)c3)ccc21 ZINC000456272969 822792334 /nfs/dbraw/zinc/79/23/34/822792334.db2.gz LUKJJUQDZOHLNO-LJQANCHMSA-N 1 0 392.421 4.358 20 0 GIADRO CCOc1ccc(C(=O)CCC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)cc1F ZINC000456274443 822792594 /nfs/dbraw/zinc/79/25/94/822792594.db2.gz MRMIAMSTGHXYCP-HXUWFJFHSA-N 1 0 398.478 4.375 20 0 GIADRO CCO[C@H](C)c1nc(CN(C)C(=O)c2cccc(C[NH+]3CCCC3)c2)cs1 ZINC000174457005 822792629 /nfs/dbraw/zinc/79/26/29/822792629.db2.gz PKXBCFQLTWHSIG-MRXNPFEDSA-N 1 0 387.549 4.109 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)C3CCC(NC(=O)C4CCCC4)CC3)ccc21 ZINC000456275161 822792870 /nfs/dbraw/zinc/79/28/70/822792870.db2.gz MVGWLLPQMSDAIB-RKOYOZNISA-N 1 0 397.563 4.039 20 0 GIADRO CN(C(=O)N[C@@H](C1CCCC1)C(F)(F)F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000185519562 822793012 /nfs/dbraw/zinc/79/30/12/822793012.db2.gz XAAOSQWSFSHHHI-IBGZPJMESA-N 1 0 397.485 4.414 20 0 GIADRO O[C@@H](C[C@H]1COCC[N@@H+]1CC1CCC(C(F)(F)F)CC1)c1cccs1 ZINC000185521326 822793163 /nfs/dbraw/zinc/79/31/63/822793163.db2.gz OWZFUZDFLVCLFU-CKUJCDMFSA-N 1 0 377.472 4.241 20 0 GIADRO CC(C)CC(=O)N[C@H](C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)c1ccccc1 ZINC000456278179 822793217 /nfs/dbraw/zinc/79/32/17/822793217.db2.gz OYKUMJIGSRLNOE-GMAHTHKFSA-N 1 0 393.531 4.078 20 0 GIADRO C[NH+](C)Cc1cccc(C(=O)Oc2ccc(NC(=O)c3cccs3)cc2)c1 ZINC000174462541 822793541 /nfs/dbraw/zinc/79/35/41/822793541.db2.gz AJMOQAZAVMTZRU-UHFFFAOYSA-N 1 0 380.469 4.281 20 0 GIADRO CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)cc1 ZINC000456285641 822794392 /nfs/dbraw/zinc/79/43/92/822794392.db2.gz UZBFRVBKFVUBSW-QKKBWIMNSA-N 1 0 397.544 4.313 20 0 GIADRO Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000456289797 822794708 /nfs/dbraw/zinc/79/47/08/822794708.db2.gz XYVCZXYLQJRNRM-SFHVURJKSA-N 1 0 378.501 4.315 20 0 GIADRO CCn1cc(C[NH2+]C2(c3ccc(OCc4ccccc4)cc3)CCOCC2)cn1 ZINC000174471279 822794718 /nfs/dbraw/zinc/79/47/18/822794718.db2.gz PDPZUEXDNDGTOI-UHFFFAOYSA-N 1 0 391.515 4.278 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccccc2OCc2ccc(Cl)cc2)C1 ZINC000174473546 822794863 /nfs/dbraw/zinc/79/48/63/822794863.db2.gz FJNRJCYXCNFGBV-GOSISDBHSA-N 1 0 386.923 4.333 20 0 GIADRO CO[C@]1(C)C[C@@H](N(C)Cc2nnc(-c3ccccc3Br)o2)C1(C)C ZINC000174482228 822795441 /nfs/dbraw/zinc/79/54/41/822795441.db2.gz VWRUGQPXFHGQIH-RDTXWAMCSA-N 1 0 394.313 4.135 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](Sc2ccc(F)cc2)c2ccccc2)C1 ZINC000174492373 822796378 /nfs/dbraw/zinc/79/63/78/822796378.db2.gz HWIQTZLMKZACKY-DYESRHJHSA-N 1 0 386.536 4.459 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)Nc2cccc(Oc3ccccn3)c2)c1 ZINC000174504939 822797989 /nfs/dbraw/zinc/79/79/89/822797989.db2.gz JROKYMHPEOAYOK-UHFFFAOYSA-N 1 0 376.460 4.257 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)C3(Cc4ccc(F)cc4)CCOCC3)ccc21 ZINC000456320603 822798245 /nfs/dbraw/zinc/79/82/45/822798245.db2.gz OBSITRFRKPSUEX-JOCHJYFZSA-N 1 0 396.506 4.353 20 0 GIADRO C[C@@H]1CN(C(=O)C2CCC(C(F)(F)F)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000456331637 822799252 /nfs/dbraw/zinc/79/92/52/822799252.db2.gz KIFQVXFYHIAGRS-IVMQYODDSA-N 1 0 382.470 4.336 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(C)c(NC(=O)Nc3ccccc3)c2)C1 ZINC000174514755 822799658 /nfs/dbraw/zinc/79/96/58/822799658.db2.gz IKUNRQNMHFKVDQ-SFHVURJKSA-N 1 0 394.519 4.053 20 0 GIADRO CC(C)OCCCNC(=O)C1CC[NH+]([C@H](C)c2ccc(F)c(Cl)c2)CC1 ZINC000052441340 822799890 /nfs/dbraw/zinc/79/98/90/822799890.db2.gz XGIHUULIMUUFHI-OAHLLOKOSA-N 1 0 384.923 4.183 20 0 GIADRO Cc1nc2sc3c(c2c(NC2CC[NH+](Cc4ccncc4)CC2)n1)CCCC3 ZINC000052447750 822800046 /nfs/dbraw/zinc/80/00/46/822800046.db2.gz GWLDKJMPDCCMLO-UHFFFAOYSA-N 1 0 393.560 4.350 20 0 GIADRO O=C([C@@H]1C[C@H]1c1ccccc1OC(F)(F)F)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174522132 822800471 /nfs/dbraw/zinc/80/04/71/822800471.db2.gz BCBAKYUNAUGTMY-BPQIPLTHSA-N 1 0 396.453 4.023 20 0 GIADRO CCCOc1ccc(-c2nc(C(=O)N3CC[C@@H](C[N@H+](C)CC)C3)cs2)cc1 ZINC000174521842 822800517 /nfs/dbraw/zinc/80/05/17/822800517.db2.gz JCKDKIPVNIVIKW-INIZCTEOSA-N 1 0 387.549 4.013 20 0 GIADRO C[C@@H]1CN(C(=O)c2coc(C3CCCCC3)n2)CC[N@H+](Cc2ccccc2)C1 ZINC000456343132 822800541 /nfs/dbraw/zinc/80/05/41/822800541.db2.gz QWISXCLOAFBDQS-SFHVURJKSA-N 1 0 381.520 4.316 20 0 GIADRO COc1ccc(N2CCC[N@H+](Cc3ccc(OC(F)F)c(OC)c3)CC2)cc1 ZINC000052466215 822800848 /nfs/dbraw/zinc/80/08/48/822800848.db2.gz VWCSZPHNZQKRCS-UHFFFAOYSA-N 1 0 392.446 4.018 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cn(Cc3ccccc3)c3ccccc23)C1 ZINC000174527025 822801375 /nfs/dbraw/zinc/80/13/75/822801375.db2.gz RPQBWCRIAAFENY-FQEVSTJZSA-N 1 0 375.516 4.103 20 0 GIADRO C[C@H]1CN(C(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000456351900 822801359 /nfs/dbraw/zinc/80/13/59/822801359.db2.gz XIWAXOKFDHTJHK-NEWSRXKRSA-N 1 0 382.470 4.336 20 0 GIADRO CCCNC(=O)C1CC[NH+]([C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)CC1 ZINC000052492698 822801361 /nfs/dbraw/zinc/80/13/61/822801361.db2.gz VPZHQEFZGJGJPL-SFHVURJKSA-N 1 0 393.531 4.238 20 0 GIADRO C[C@@H]1CN(C(=O)c2cccc([C@@H]3CCCOC3)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000456352561 822801558 /nfs/dbraw/zinc/80/15/58/822801558.db2.gz YERXNPCNJONZRQ-GBXCKJPGSA-N 1 0 392.543 4.175 20 0 GIADRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)Nc1nnc(-c2ccsc2)s1 ZINC000052496322 822801691 /nfs/dbraw/zinc/80/16/91/822801691.db2.gz UODTWLDVKLKLTB-MRXNPFEDSA-N 1 0 399.545 4.225 20 0 GIADRO C[C@H]([NH2+]CC(=O)N(C)[C@@H](C)c1cc2ccccc2o1)[C@@H]1COc2ccccc21 ZINC000185621735 822803314 /nfs/dbraw/zinc/80/33/14/822803314.db2.gz LQAGJBVAEOKDCN-BXWFABGCSA-N 1 0 378.472 4.107 20 0 GIADRO CC(C)c1noc2nc(C3CC3)cc(C(=O)N3CC[C@@H](C[NH+]4CCCCC4)C3)c21 ZINC000174547596 822803529 /nfs/dbraw/zinc/80/35/29/822803529.db2.gz UHNAWOUUDZUUFP-INIZCTEOSA-N 1 0 396.535 4.172 20 0 GIADRO COC(C)(C)C[C@@H](C)[NH2+]Cc1csc(N(C(C)=O)c2ccc(F)cc2)n1 ZINC000174553342 822804215 /nfs/dbraw/zinc/80/42/15/822804215.db2.gz YQSNPOXFVNEIFI-CYBMUJFWSA-N 1 0 379.501 4.260 20 0 GIADRO CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1COc2ccccc21 ZINC000185633049 822804544 /nfs/dbraw/zinc/80/45/44/822804544.db2.gz BHQWAZDNIYPLDV-DEYYWGMASA-N 1 0 392.455 4.117 20 0 GIADRO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000185636913 822805106 /nfs/dbraw/zinc/80/51/06/822805106.db2.gz MKNXTSBOGSUHDT-UHFFFAOYSA-N 1 0 389.543 4.340 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1cc(C)ccc1C ZINC000185641755 822805914 /nfs/dbraw/zinc/80/59/14/822805914.db2.gz KLPJPXHZSLOPDR-ZFWWWQNUSA-N 1 0 396.457 4.357 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1ccccc1Cc1ccccc1)[C@@H]1COc2ccccc21 ZINC000185645035 822805971 /nfs/dbraw/zinc/80/59/71/822805971.db2.gz SPZHOMRFMZVTAD-AVRDEDQJSA-N 1 0 386.495 4.370 20 0 GIADRO C[C@@H](C(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)c1cn(C)c2ccccc12 ZINC000185654758 822807259 /nfs/dbraw/zinc/80/72/59/822807259.db2.gz HERSOJLGWPFUJV-LJQANCHMSA-N 1 0 389.543 4.405 20 0 GIADRO COc1ccccc1C[C@H](C)N(C)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000174576673 822807250 /nfs/dbraw/zinc/80/72/50/822807250.db2.gz WOEJGEZUFSWAAT-IBGZPJMESA-N 1 0 395.547 4.064 20 0 GIADRO CN(C(=O)c1cc(Cl)cc(Cl)n1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000185660778 822807775 /nfs/dbraw/zinc/80/77/75/822807775.db2.gz KPLNYRADZMFWRW-INIZCTEOSA-N 1 0 378.303 4.125 20 0 GIADRO CC[C@H](NC(=O)CN[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(Cl)cc1 ZINC000185665172 822808107 /nfs/dbraw/zinc/80/81/07/822808107.db2.gz MLVMVUVRSVQBGT-CDXJDZJCSA-N 1 0 391.987 4.150 20 0 GIADRO C[C@@H](N[C@@H](C)C(=O)N1CCC[C@@H]1c1cccs1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185671329 822808590 /nfs/dbraw/zinc/80/85/90/822808590.db2.gz SGDXMUDCLGOCQW-AJYBTWMASA-N 1 0 389.609 4.043 20 0 GIADRO Cc1nc(-c2ccc(CC[NH2+][C@H](C(=O)NC3CC3)c3ccccc3)cc2)cs1 ZINC000052724645 822808585 /nfs/dbraw/zinc/80/85/85/822808585.db2.gz DNVKWZGMKGCCBA-QFIPXVFZSA-N 1 0 391.540 4.271 20 0 GIADRO C[N@H+](CCSc1nnc(NCc2ccco2)s1)Cc1ccc(F)cc1 ZINC000185684709 822809944 /nfs/dbraw/zinc/80/99/44/822809944.db2.gz CVGNRFMDIHDGMO-UHFFFAOYSA-N 1 0 378.498 4.106 20 0 GIADRO Cc1nn(-c2ccc(F)cc2)c(Cl)c1CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000174598978 822810268 /nfs/dbraw/zinc/81/02/68/822810268.db2.gz YDSPLASNTGUNBT-ZNXRZULTSA-N 1 0 376.907 4.078 20 0 GIADRO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000174599883 822810320 /nfs/dbraw/zinc/81/03/20/822810320.db2.gz DBCQTIDCJZVASC-YQQQUEKLSA-N 1 0 390.934 4.137 20 0 GIADRO CC(=O)N(c1nc(CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cs1)c1ccc(C)cc1 ZINC000174600006 822810466 /nfs/dbraw/zinc/81/04/66/822810466.db2.gz IRHIAFKCBZASAX-PRJVBOEPSA-N 1 0 398.576 4.241 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[N@H+](C)CCCc1ccccc1 ZINC000052802907 822810809 /nfs/dbraw/zinc/81/08/09/822810809.db2.gz FCDICYGCOHGZDK-FQEVSTJZSA-N 1 0 390.531 4.381 20 0 GIADRO C[C@H](NCC(=O)Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185697247 822811041 /nfs/dbraw/zinc/81/10/41/822811041.db2.gz ILCKMSXDXOZIEL-UONOGXRCSA-N 1 0 384.351 4.175 20 0 GIADRO CCC[C@H](NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000174617612 822813108 /nfs/dbraw/zinc/81/31/08/822813108.db2.gz NMWGTDYTNJUVOB-ROUUACIJSA-N 1 0 381.442 4.202 20 0 GIADRO CCC[C@@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(C(F)(F)F)c1 ZINC000174617705 822813137 /nfs/dbraw/zinc/81/31/37/822813137.db2.gz RPWYQXZXUQOPMU-FGTMMUONSA-N 1 0 383.458 4.425 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)N3CC[C@@H](C)C[C@H]3c3ccco3)c2)CC1 ZINC000185714485 822813353 /nfs/dbraw/zinc/81/33/53/822813353.db2.gz XLOPVXZMBXYVEN-NQIIRXRSSA-N 1 0 396.535 4.427 20 0 GIADRO C[C@H](NCc1nn(-c2ccc(F)cc2)c2c1CCC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185715400 822813510 /nfs/dbraw/zinc/81/35/10/822813510.db2.gz BUUPJQHFPXXEPE-ZWKOTPCHSA-N 1 0 396.554 4.243 20 0 GIADRO COc1ccc(C[N@H+](Cc2csc(-c3cnn(C)c3)n2)[C@@H](C)C2CC2)cc1 ZINC000052867121 822813563 /nfs/dbraw/zinc/81/35/63/822813563.db2.gz YQRGPTOBWTXSBN-HNNXBMFYSA-N 1 0 382.533 4.353 20 0 GIADRO C[C@@H]1CC[C@@H]([NH2+][C@@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)c(F)c2)C1 ZINC000174622936 822813943 /nfs/dbraw/zinc/81/39/43/822813943.db2.gz VGJNRZCGTXRCFM-AUJRIZCKSA-N 1 0 379.472 4.236 20 0 GIADRO O=C(N[C@@H]1CCO[C@H](c2cccs2)C1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000456543347 822814369 /nfs/dbraw/zinc/81/43/69/822814369.db2.gz PXBZQZRLESQIOX-AQNXPRMDSA-N 1 0 384.545 4.139 20 0 GIADRO O=C(Nc1ccccc1-c1nc2ccccc2s1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000174628941 822814521 /nfs/dbraw/zinc/81/45/21/822814521.db2.gz PBEZRZMZTWFRHM-INIZCTEOSA-N 1 0 390.512 4.441 20 0 GIADRO C[NH+]1CCC(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)nc2)CC1 ZINC000174629354 822814558 /nfs/dbraw/zinc/81/45/58/822814558.db2.gz ZLSHOVYNJDCGHM-UHFFFAOYSA-N 1 0 379.382 4.173 20 0 GIADRO CC(C)[NH+]1CCC(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000174631471 822814796 /nfs/dbraw/zinc/81/47/96/822814796.db2.gz NWVYCNWFWBJGCE-UHFFFAOYSA-N 1 0 383.517 4.293 20 0 GIADRO C[C@@H](NCc1cc(=O)oc2cc3c(cc12)CCC3)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185728395 822815184 /nfs/dbraw/zinc/81/51/84/822815184.db2.gz WGVVLCQBGWVMLZ-VQIMIIECSA-N 1 0 380.532 4.024 20 0 GIADRO CCC(CC)c1cc(CNC(=O)Nc2ccccc2N2CC[NH+](CC)CC2)on1 ZINC000174635258 822815514 /nfs/dbraw/zinc/81/55/14/822815514.db2.gz XTGLUUASKIFGGW-UHFFFAOYSA-N 1 0 399.539 4.042 20 0 GIADRO C[C@H](NCc1coc(-c2c(F)cccc2F)n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185730382 822815501 /nfs/dbraw/zinc/81/55/01/822815501.db2.gz MPHPEQOEGVBOMZ-GJZGRUSLSA-N 1 0 375.463 4.362 20 0 GIADRO COc1ccc(Br)cc1C[NH2+]C1(c2cccc(F)c2)CCOCC1 ZINC000174647099 822817275 /nfs/dbraw/zinc/81/72/75/822817275.db2.gz IEZOZJYVVZNMRI-UHFFFAOYSA-N 1 0 394.284 4.392 20 0 GIADRO COc1ccc([C@H]([NH2+][C@H]2CCC[C@@H](C)C2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000174649782 822817724 /nfs/dbraw/zinc/81/77/24/822817724.db2.gz XIWOUTPVOGWAMA-WVBUVRCRSA-N 1 0 387.545 4.356 20 0 GIADRO Cc1cc(Cl)ccc1NC(=O)[C@H](C)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185753599 822817869 /nfs/dbraw/zinc/81/78/69/822817869.db2.gz KWWPOQUDYRLKCO-IXDOHACOSA-N 1 0 377.960 4.218 20 0 GIADRO C[C@@H]1CN(Cc2ccccc2NC(=O)[C@@H]2C[C@@]23CCc2ccccc23)C[C@H](C)O1 ZINC000174652659 822818203 /nfs/dbraw/zinc/81/82/03/822818203.db2.gz GDJLYHSUTRIVOW-SNMCCPJMSA-N 1 0 390.527 4.138 20 0 GIADRO Cc1cc2c(cc1C)[C@H](C(=O)NC1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)CO2 ZINC000185763061 822818764 /nfs/dbraw/zinc/81/87/64/822818764.db2.gz ZIAXNUJLRSRHRY-ZYJGPIPZSA-N 1 0 390.527 4.091 20 0 GIADRO C[N@H+](Cc1cc(Cl)cc2cccnc21)C1CCN(CCc2ccccn2)CC1 ZINC000174658688 822819541 /nfs/dbraw/zinc/81/95/41/822819541.db2.gz KYLFFHJKVVXKMP-UHFFFAOYSA-N 1 0 394.950 4.422 20 0 GIADRO CC(=O)Nc1ccc2c(C[N@H+](C)CCCCc3ccccc3)cc(=O)oc2c1 ZINC000053079339 822820599 /nfs/dbraw/zinc/82/05/99/822820599.db2.gz KIUGYGZKCHCZSF-UHFFFAOYSA-N 1 0 378.472 4.206 20 0 GIADRO C[C@@H](c1nnc(SCC2(O)CCC(C)CC2)n1-c1ccc(F)cc1)N(C)C ZINC000174668815 822821087 /nfs/dbraw/zinc/82/10/87/822821087.db2.gz QRYXZAJZCZUISZ-CHWWFWEZSA-N 1 0 392.544 4.062 20 0 GIADRO CCc1ccc(-c2nc(CC(=O)NC3CC[NH+](C4CCC4)CC3)cs2)cc1 ZINC000456680724 822822008 /nfs/dbraw/zinc/82/20/08/822822008.db2.gz GDYWTJIUHRWTFF-UHFFFAOYSA-N 1 0 383.561 4.048 20 0 GIADRO CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)CCc2ncc(C(C)(C)C)o2)CC1 ZINC000456688347 822822858 /nfs/dbraw/zinc/82/28/58/822822858.db2.gz GMLKBJRFBNNPGY-UHFFFAOYSA-N 1 0 377.573 4.264 20 0 GIADRO CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)c2cnc(-c3ccncc3)s2)CC1 ZINC000456691717 822823141 /nfs/dbraw/zinc/82/31/41/822823141.db2.gz KUUFOBBUUHLBRU-UHFFFAOYSA-N 1 0 386.565 4.178 20 0 GIADRO Cc1nc([C@H]2CCCO2)sc1C(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000456691988 822823208 /nfs/dbraw/zinc/82/32/08/822823208.db2.gz AGZOISATEQJORK-MRXNPFEDSA-N 1 0 393.597 4.276 20 0 GIADRO Cc1ccc(OCc2ccc(C(=O)N3CCC(CC[NH+](C)C)CC3)o2)c(C)c1 ZINC000053146685 822823545 /nfs/dbraw/zinc/82/35/45/822823545.db2.gz PPAYKWSZPKFSKC-UHFFFAOYSA-N 1 0 384.520 4.279 20 0 GIADRO CC[C@@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000185820331 822824319 /nfs/dbraw/zinc/82/43/19/822824319.db2.gz ZMYMBHGBHHMWHL-LJQANCHMSA-N 1 0 378.925 4.121 20 0 GIADRO CC[NH+](CC)CCOc1ccc(C(=O)N2C[C@H]3CCC(=O)c4cccc2c43)cc1 ZINC000185823595 822824574 /nfs/dbraw/zinc/82/45/74/822824574.db2.gz GXPQISFWZXILJO-GOSISDBHSA-N 1 0 392.499 4.128 20 0 GIADRO COc1ccc(-c2cc(C(=O)NC3CC[NH+](C4CCC4)CC3)sc2C)cc1 ZINC000456703068 822824822 /nfs/dbraw/zinc/82/48/22/822824822.db2.gz RBVQCFFKGCIIFF-UHFFFAOYSA-N 1 0 384.545 4.479 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1cccnc1Cl)[C@H](C)c1ccccc1C(F)(F)F ZINC000185829541 822825098 /nfs/dbraw/zinc/82/50/98/822825098.db2.gz ZLZPRLGXMCXBDR-NWDGAFQWSA-N 1 0 385.817 4.474 20 0 GIADRO Cc1c(C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)cnn1C(C)(C)C ZINC000053187641 822825513 /nfs/dbraw/zinc/82/55/13/822825513.db2.gz KHGROJHNTLLLCC-KRWDZBQOSA-N 1 0 382.552 4.251 20 0 GIADRO CCCCOc1ccc(C(=O)N(CC(C)C)C2CC[NH+](C)CC2)cc1OC ZINC000053222905 822826717 /nfs/dbraw/zinc/82/67/17/822826717.db2.gz QYRZQKKHSMMSMO-UHFFFAOYSA-N 1 0 376.541 4.067 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)NCC2(c3ccccc3)CC2)[C@@H]1c1cccs1 ZINC000174709080 822826774 /nfs/dbraw/zinc/82/67/74/822826774.db2.gz DHLBJRXLAAJNFZ-FXAWDEMLSA-N 1 0 383.561 4.162 20 0 GIADRO Cc1ccccc1[C@H]1CCC[N@@H+]1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000053279221 822828873 /nfs/dbraw/zinc/82/88/73/822828873.db2.gz WVLGWLWJOKZPHH-GOSISDBHSA-N 1 0 398.304 4.103 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)c2cc(F)c(F)cc2F)CC1 ZINC000456784317 822830531 /nfs/dbraw/zinc/83/05/31/822830531.db2.gz BYZDAYOSDUTCBR-UHFFFAOYSA-N 1 0 398.812 4.483 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)CCOc2ccccc2)CC1 ZINC000456791497 822831442 /nfs/dbraw/zinc/83/14/42/822831442.db2.gz YWXYWTMETOQENI-UHFFFAOYSA-N 1 0 388.895 4.221 20 0 GIADRO COc1ccc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1Cc1ccccc1 ZINC000174745107 822831466 /nfs/dbraw/zinc/83/14/66/822831466.db2.gz RYFPYEBADJWMJK-UWJYYQICSA-N 1 0 381.520 4.232 20 0 GIADRO Cc1sccc1CC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000456793283 822831542 /nfs/dbraw/zinc/83/15/42/822831542.db2.gz QEQPASZFTPGEII-UHFFFAOYSA-N 1 0 378.925 4.364 20 0 GIADRO O=C(Nc1ccc(SC(F)F)cc1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000174745615 822831636 /nfs/dbraw/zinc/83/16/36/822831636.db2.gz XWEIJKLWCAZCJC-UHFFFAOYSA-N 1 0 399.507 4.110 20 0 GIADRO CC[NH+](CC)[C@@H](C(=O)N[C@@H](C)c1nc(-c2cccc(F)c2)no1)c1ccccc1 ZINC000174746518 822831675 /nfs/dbraw/zinc/83/16/75/822831675.db2.gz JWSKXFDRUHEJJW-HNAYVOBHSA-N 1 0 396.466 4.136 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)CCCn2cccc2)CC1 ZINC000456795635 822831945 /nfs/dbraw/zinc/83/19/45/822831945.db2.gz UDMZELZJLANAKA-UHFFFAOYSA-N 1 0 375.900 4.033 20 0 GIADRO O=C(c1ccc(-c2cncnc2)cc1F)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000185918462 822833299 /nfs/dbraw/zinc/83/32/99/822833299.db2.gz WZDOFZJXOBCEDK-GOSISDBHSA-N 1 0 396.510 4.011 20 0 GIADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Cc2csc(-c3cccc(F)c3)n2)C1 ZINC000053404952 822833360 /nfs/dbraw/zinc/83/33/60/822833360.db2.gz SVJBLERFSZNRNC-HNNXBMFYSA-N 1 0 389.540 4.118 20 0 GIADRO Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000053403953 822833398 /nfs/dbraw/zinc/83/33/98/822833398.db2.gz JSQLCWRXWGAOPF-CQSZACIVSA-N 1 0 393.597 4.281 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)CC[N@@H+]1C ZINC000174768652 822834661 /nfs/dbraw/zinc/83/46/61/822834661.db2.gz QETTVLHSHIYMPS-MAUKXSAKSA-N 1 0 378.476 4.441 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)Cc2csc(COc3ccc(F)cc3)n2)[C@H](C)C1 ZINC000174777996 822835624 /nfs/dbraw/zinc/83/56/24/822835624.db2.gz IREFSGXPWVCTTO-BEFAXECRSA-N 1 0 377.529 4.023 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)Cc2csc(COc3ccc(F)cc3)n2)[C@H](C)C1 ZINC000174778009 822835638 /nfs/dbraw/zinc/83/56/38/822835638.db2.gz IREFSGXPWVCTTO-DNVCBOLYSA-N 1 0 377.529 4.023 20 0 GIADRO COc1ccc2oc([C@@H](C)NC(=O)N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C(C)C)c(C)c2c1 ZINC000174779682 822835817 /nfs/dbraw/zinc/83/58/17/822835817.db2.gz WRNMCOUYSZEGMV-KURKYZTESA-N 1 0 399.535 4.468 20 0 GIADRO O=C(Nc1cccc(-c2cc[nH]n2)c1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000185943020 822835846 /nfs/dbraw/zinc/83/58/46/822835846.db2.gz RUITVGGPDADESD-UHFFFAOYSA-N 1 0 381.524 4.197 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)CC[N@@H+]1C ZINC000174780127 822835994 /nfs/dbraw/zinc/83/59/94/822835994.db2.gz DFNFFBWFMRPMGJ-OXQOHEQNSA-N 1 0 395.507 4.277 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)NCc1coc(-c2ccccc2)n1 ZINC000174785989 822836617 /nfs/dbraw/zinc/83/66/17/822836617.db2.gz KEQZLRPMLJBSHA-UHFFFAOYSA-N 1 0 392.503 4.183 20 0 GIADRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)Nc1cccc(-c2cc[nH]n2)c1 ZINC000185960032 822837603 /nfs/dbraw/zinc/83/76/03/822837603.db2.gz MGULMUMPSUDBPC-UHFFFAOYSA-N 1 0 395.532 4.172 20 0 GIADRO CC[C@H]([NH2+]CCOc1ccccc1C(=O)OC)c1nc(C(F)(F)F)cs1 ZINC000185959159 822837606 /nfs/dbraw/zinc/83/76/06/822837606.db2.gz JIHGQRXHIIVFSU-LBPRGKRZSA-N 1 0 388.411 4.068 20 0 GIADRO C[C@@H](CC(=O)Nc1cccc(OCCC[NH+](C)C)c1)C(=O)c1cccc(F)c1 ZINC000174795282 822837870 /nfs/dbraw/zinc/83/78/70/822837870.db2.gz GMHDPDCHJGRRHU-INIZCTEOSA-N 1 0 386.467 4.004 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000174797414 822838363 /nfs/dbraw/zinc/83/83/63/822838363.db2.gz GXCUUZWXDUOHGP-QRQLOZEOSA-N 1 0 398.576 4.366 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)Nc2cccc(-c3cc[nH]n3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000185965358 822838489 /nfs/dbraw/zinc/83/84/89/822838489.db2.gz FXRHCJDQBDHIAZ-UTKZUKDTSA-N 1 0 389.503 4.251 20 0 GIADRO CCOc1ccc(CN(C)C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000053524071 822838707 /nfs/dbraw/zinc/83/87/07/822838707.db2.gz SJXDVXHFDHGQHZ-HXUWFJFHSA-N 1 0 385.508 4.047 20 0 GIADRO CN(Cc1cccc(Cl)c1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000053523646 822838774 /nfs/dbraw/zinc/83/87/74/822838774.db2.gz OZZLFCHKFSJOQN-GOSISDBHSA-N 1 0 375.900 4.302 20 0 GIADRO C[C@H](NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000053535033 822839562 /nfs/dbraw/zinc/83/95/62/822839562.db2.gz SDOFKNXWAAIQNF-YOEHRIQHSA-N 1 0 395.425 4.496 20 0 GIADRO Cc1c(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cccc1OCC(F)(F)F ZINC000174807139 822839992 /nfs/dbraw/zinc/83/99/92/822839992.db2.gz NHGGZSNSYQZHLK-CVEARBPZSA-N 1 0 399.457 4.415 20 0 GIADRO COc1cc(C[NH2+][C@H](C)c2cc(C)ccc2O)cc(Br)c1OC ZINC000185977886 822840217 /nfs/dbraw/zinc/84/02/17/822840217.db2.gz UGAMKXNLIUUZQQ-GFCCVEGCSA-N 1 0 380.282 4.331 20 0 GIADRO COc1cc(C[NH2+][C@@H](C)c2cc(F)ccc2O)cc(Br)c1OC ZINC000185978158 822840223 /nfs/dbraw/zinc/84/02/23/822840223.db2.gz MXTDGTSBIZHJMU-JTQLQIEISA-N 1 0 384.245 4.162 20 0 GIADRO CC(=O)N[C@@H](CC(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1)c1cccs1 ZINC000053618537 822842991 /nfs/dbraw/zinc/84/29/91/822842991.db2.gz LRBNLXMVUJIJHT-FQEVSTJZSA-N 1 0 399.560 4.186 20 0 GIADRO COc1ccc(COCC(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000053619262 822842999 /nfs/dbraw/zinc/84/29/99/822842999.db2.gz ZJZHIQIIMVYKEI-UHFFFAOYSA-N 1 0 382.504 4.082 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Nc1cnn(Cc2ccccc2)c1 ZINC000174831370 822843322 /nfs/dbraw/zinc/84/33/22/822843322.db2.gz VLYSJGPCEGMZJE-UHFFFAOYSA-N 1 0 391.519 4.047 20 0 GIADRO CC(C)(C)OC(=O)NC1CCC([NH2+]Cc2ncc(-c3ccccc3)cn2)CC1 ZINC000186052689 822847434 /nfs/dbraw/zinc/84/74/34/822847434.db2.gz XKZMRAFWSARZHI-UHFFFAOYSA-N 1 0 382.508 4.069 20 0 GIADRO CC(C)O[C@H](C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)c1ccccc1 ZINC000457069669 822849807 /nfs/dbraw/zinc/84/98/07/822849807.db2.gz NZNNELXFDXZJKK-SFHVURJKSA-N 1 0 386.458 4.028 20 0 GIADRO CCc1nc(C(C)C)ccc1C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457072177 822850102 /nfs/dbraw/zinc/85/01/02/822850102.db2.gz QWZSNNHSRFHOQD-UHFFFAOYSA-N 1 0 385.474 4.256 20 0 GIADRO Cc1nc2ccccc2c(C)c1C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457072654 822850148 /nfs/dbraw/zinc/85/01/48/822850148.db2.gz SCTDRMCMEUTKPD-UHFFFAOYSA-N 1 0 393.453 4.340 20 0 GIADRO Cc1ccnc2ccc(C(=O)N(C)C3CC[NH+](CCC(F)(F)F)CC3)cc12 ZINC000457074338 822850248 /nfs/dbraw/zinc/85/02/48/822850248.db2.gz VPTXJBVFXRJLEK-UHFFFAOYSA-N 1 0 379.426 4.032 20 0 GIADRO Cc1cnc([C@H](NC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)C2CC2)s1 ZINC000174889151 822851252 /nfs/dbraw/zinc/85/12/52/822851252.db2.gz CQUHJSWKIOGIMA-CRAIPNDOSA-N 1 0 386.565 4.331 20 0 GIADRO C[C@H]([NH2+]C(C)(C)CNC(=O)NCc1coc(-c2ccccc2)n1)c1ccccc1 ZINC000174889520 822851270 /nfs/dbraw/zinc/85/12/70/822851270.db2.gz WRCAMOMAVJTUKW-KRWDZBQOSA-N 1 0 392.503 4.270 20 0 GIADRO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000457087124 822851740 /nfs/dbraw/zinc/85/17/40/822851740.db2.gz JHVWPMAZKVYKJG-MRXNPFEDSA-N 1 0 395.425 4.224 20 0 GIADRO CN(C(=O)[C@]1(C)CCCc2ccccc21)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457089259 822852145 /nfs/dbraw/zinc/85/21/45/822852145.db2.gz SUERFBRCRNSGRU-HXUWFJFHSA-N 1 0 382.470 4.156 20 0 GIADRO CN(C(=O)c1cccc(OC2CCCC2)c1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457089267 822852185 /nfs/dbraw/zinc/85/21/85/822852185.db2.gz SVGWEXWUTVYAIA-UHFFFAOYSA-N 1 0 398.469 4.497 20 0 GIADRO Cc1cc(C)cc(C2(C(=O)N(C)C3CC[NH+](CCC(F)(F)F)CC3)CC2)c1 ZINC000457093623 822852846 /nfs/dbraw/zinc/85/28/46/822852846.db2.gz YIAHYHCGQYXWFR-UHFFFAOYSA-N 1 0 382.470 4.210 20 0 GIADRO Cc1ccc([C@H]([NH2+]CCOc2ccccc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000174901519 822852947 /nfs/dbraw/zinc/85/29/47/822852947.db2.gz VALDUVOAINJOMZ-QHCPKHFHSA-N 1 0 395.524 4.157 20 0 GIADRO COc1ccc(CC[NH2+][C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000174901148 822852953 /nfs/dbraw/zinc/85/29/53/822852953.db2.gz KLLNJVHIJNFQPT-HSZRJFAPSA-N 1 0 395.524 4.020 20 0 GIADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)c2csc(-c3ccccc3F)n2)C1 ZINC000457095755 822853020 /nfs/dbraw/zinc/85/30/20/822853020.db2.gz QETGOXZLMSUVRJ-HNNXBMFYSA-N 1 0 389.540 4.168 20 0 GIADRO Cc1ccc(C(=O)N2CCC([NH+]3CCN(c4cccc(Cl)c4)CC3)CC2)cc1 ZINC000457109664 822853937 /nfs/dbraw/zinc/85/39/37/822853937.db2.gz DIROFJYKFOXMMG-UHFFFAOYSA-N 1 0 397.950 4.075 20 0 GIADRO COc1cccc(F)c1NC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000186134847 822854409 /nfs/dbraw/zinc/85/44/09/822854409.db2.gz XVPAWMMVLNHATJ-FZKQIMNGSA-N 1 0 377.485 4.100 20 0 GIADRO COCCC[NH+]1CCC(NC(=O)/C(C)=C/c2c(Cl)cccc2Cl)CC1 ZINC000186148100 822855750 /nfs/dbraw/zinc/85/57/50/822855750.db2.gz XKFSJFARNFJDNQ-BUHFOSPRSA-N 1 0 385.335 4.014 20 0 GIADRO O=C(Cc1ccc(-c2ccccc2)cc1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000053990217 822855796 /nfs/dbraw/zinc/85/57/96/822855796.db2.gz CRKAZQPUCCXPLY-UHFFFAOYSA-N 1 0 385.511 4.072 20 0 GIADRO Cc1cc(NC(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)ccc1N(C)C ZINC000174918545 822855892 /nfs/dbraw/zinc/85/58/92/822855892.db2.gz SCEXPDJSEBJRIA-UZLBHIALSA-N 1 0 386.565 4.327 20 0 GIADRO COc1ccc(NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c(OC)c1 ZINC000054003339 822856664 /nfs/dbraw/zinc/85/66/64/822856664.db2.gz VOZXFHVEAXODSC-UHFFFAOYSA-N 1 0 383.492 4.011 20 0 GIADRO CCc1nc(CN2CCC(C[NH2+][C@H](C)c3sccc3OC)CC2)cs1 ZINC000186160365 822857039 /nfs/dbraw/zinc/85/70/39/822857039.db2.gz VAMKJBFDFBTBEN-CQSZACIVSA-N 1 0 379.595 4.338 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1csc(-c2cccs2)n1 ZINC000174932219 822857751 /nfs/dbraw/zinc/85/77/51/822857751.db2.gz YUIZKUFWQTZTHG-QGZVFWFLSA-N 1 0 397.569 4.466 20 0 GIADRO C[NH+](C)CC1(CNC(=O)Cc2csc(-c3ccccc3Cl)n2)CCCC1 ZINC000186177598 822858306 /nfs/dbraw/zinc/85/83/06/822858306.db2.gz OCPRWUBAGXKJMX-UHFFFAOYSA-N 1 0 391.968 4.244 20 0 GIADRO COc1ccc(C[N@@H+]2CCCN(C(=O)N[C@H](c3ccccc3)C3CC3)CC2)cc1 ZINC000054024703 822859427 /nfs/dbraw/zinc/85/94/27/822859427.db2.gz JBMAWIFRAOPVTP-HSZRJFAPSA-N 1 0 393.531 4.064 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCn1ccc2ccccc21 ZINC000174945709 822859485 /nfs/dbraw/zinc/85/94/85/822859485.db2.gz VQPPNMCPRHWOGL-NRFANRHFSA-N 1 0 375.516 4.012 20 0 GIADRO C[N@H+](CCCCNC(=O)c1cc(NC(=O)CC(C)(C)C)ccc1Cl)C1CC1 ZINC000457195162 822860081 /nfs/dbraw/zinc/86/00/81/822860081.db2.gz GJYVUXRBUZQKKI-UHFFFAOYSA-N 1 0 393.959 4.319 20 0 GIADRO O=C(c1cscn1)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457197759 822860370 /nfs/dbraw/zinc/86/03/70/822860370.db2.gz VVCQBYWHVZKCLR-OAQYLSRUSA-N 1 0 383.561 4.440 20 0 GIADRO CC(C)c1nc([C@@H](C)[NH2+]C[C@H](c2ccc(F)cc2)N2CCOCC2)cs1 ZINC000186205565 822860692 /nfs/dbraw/zinc/86/06/92/822860692.db2.gz ZUGIURKXBPNOSG-DNVCBOLYSA-N 1 0 377.529 4.130 20 0 GIADRO Cc1nn(Cc2ccccc2)c2sc(C(=O)NCCCC[N@@H+](C)C3CC3)cc12 ZINC000457206601 822860783 /nfs/dbraw/zinc/86/07/83/822860783.db2.gz SMBGPTUPVSUASF-UHFFFAOYSA-N 1 0 396.560 4.059 20 0 GIADRO CC(C)n1ncc2cc(CN(C)[C@H]3CCC[N@H+](Cc4ccccc4)C3)cnc21 ZINC000174955598 822860905 /nfs/dbraw/zinc/86/09/05/822860905.db2.gz PGQYXAMYCSWTFV-QFIPXVFZSA-N 1 0 377.536 4.109 20 0 GIADRO Cc1ccc2[nH]c(C(=O)N(C)C[C@H]3CC[N@H+](Cc4ccccc4)C3)cc2c1C ZINC000174956829 822860935 /nfs/dbraw/zinc/86/09/35/822860935.db2.gz NDQGLJJBQGIJGD-HXUWFJFHSA-N 1 0 375.516 4.379 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc2ncsc2c1 ZINC000174958993 822861522 /nfs/dbraw/zinc/86/15/22/822861522.db2.gz WRAZFVRFTBGPII-KRWDZBQOSA-N 1 0 380.517 4.282 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccccc1OCC1CC1 ZINC000174962370 822861988 /nfs/dbraw/zinc/86/19/88/822861988.db2.gz ZAUNFUDQFGOZMS-OAQYLSRUSA-N 1 0 378.516 4.070 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(CC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000174967038 822862460 /nfs/dbraw/zinc/86/24/60/822862460.db2.gz OHXOWBPWZIUHBR-IBGZPJMESA-N 1 0 381.520 4.081 20 0 GIADRO COc1ccc(S[C@@H](C)C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000174969851 822862598 /nfs/dbraw/zinc/86/25/98/822862598.db2.gz RKGSCXJFBGPMOD-AZUAARDMSA-N 1 0 398.572 4.156 20 0 GIADRO Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NCc1ccccc1C[NH+](C)C ZINC000054118695 822862834 /nfs/dbraw/zinc/86/28/34/822862834.db2.gz NHVBKTKDGOJEJD-UHFFFAOYSA-N 1 0 387.549 4.033 20 0 GIADRO Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1NC(=O)CC[NH+](C)C ZINC000186231561 822863084 /nfs/dbraw/zinc/86/30/84/822863084.db2.gz AJYNQKLJXOZXCZ-UHFFFAOYSA-N 1 0 394.302 4.444 20 0 GIADRO CN(C)Cc1csc(NC(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)n1 ZINC000457290505 822863505 /nfs/dbraw/zinc/86/35/05/822863505.db2.gz MKUXLTUIWLLDDW-UHFFFAOYSA-N 1 0 394.544 4.089 20 0 GIADRO Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1NC(=O)CC[NH+](C)C ZINC000186242491 822864083 /nfs/dbraw/zinc/86/40/83/822864083.db2.gz PEXXBASQYWQTBI-UHFFFAOYSA-N 1 0 375.472 4.291 20 0 GIADRO CC(C)c1ccc(-c2ncc(C[NH+]3CCC(Cn4cncn4)CC3)s2)cc1 ZINC000186245559 822864290 /nfs/dbraw/zinc/86/42/90/822864290.db2.gz BQALKICVNDOOBC-UHFFFAOYSA-N 1 0 381.549 4.437 20 0 GIADRO CCNC(=O)Nc1c(C)cccc1NC(=O)c1ccc(C[NH+](CC)CC)cc1 ZINC000457313088 822864503 /nfs/dbraw/zinc/86/45/03/822864503.db2.gz RBWQENZIHNFRQV-UHFFFAOYSA-N 1 0 382.508 4.231 20 0 GIADRO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1ccc(F)c(Br)c1 ZINC000054153272 822864588 /nfs/dbraw/zinc/86/45/88/822864588.db2.gz RRHYMZIYGABHJA-ZDUSSCGKSA-N 1 0 389.272 4.362 20 0 GIADRO Cc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1NC(=O)CC[NH+](C)C ZINC000186254764 822865513 /nfs/dbraw/zinc/86/55/13/822865513.db2.gz IJJBCMLRBHHCAF-UHFFFAOYSA-N 1 0 393.531 4.336 20 0 GIADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)Nc3ccc(-c4ccc(Cl)s4)nc3)C[C@@H]21 ZINC000568963708 822865702 /nfs/dbraw/zinc/86/57/02/822865702.db2.gz KNZZFFQHBYGGJX-KWCYVHTRSA-N 1 0 376.913 4.055 20 0 GIADRO C[C@H](CCNC(=O)N1CCCC[C@H]1c1nc2ccccc2[nH]1)[NH+]1CCCCC1 ZINC000568964982 822865829 /nfs/dbraw/zinc/86/58/29/822865829.db2.gz FLWYDHBQJJGTET-XLIONFOSSA-N 1 0 383.540 4.064 20 0 GIADRO CC(C)C[C@H](C)OCCC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000568969042 822866032 /nfs/dbraw/zinc/86/60/32/822866032.db2.gz XZGIIFDENQKGNV-NRFANRHFSA-N 1 0 386.580 4.342 20 0 GIADRO O=c1[nH]c(CC[N@@H+](Cc2ccccc2C(F)(F)F)C2CC2)nc2ccccc21 ZINC000054176461 822866100 /nfs/dbraw/zinc/86/61/00/822866100.db2.gz FILMTRKRDAITLN-UHFFFAOYSA-N 1 0 387.405 4.149 20 0 GIADRO O=C(Nc1nccs1)C1CC[NH+](Cc2c(Cl)ccc3cccnc32)CC1 ZINC000054180421 822866475 /nfs/dbraw/zinc/86/64/75/822866475.db2.gz SHMDELZRSAJVRD-UHFFFAOYSA-N 1 0 386.908 4.195 20 0 GIADRO Cc1ccc(NC(=O)[C@H](c2ccccc2)C(C)C)cc1NC(=O)CC[NH+](C)C ZINC000186262024 822866480 /nfs/dbraw/zinc/86/64/80/822866480.db2.gz QPTOFJACYDYBDN-QFIPXVFZSA-N 1 0 381.520 4.264 20 0 GIADRO Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)cc1NC(=O)CC[NH+](C)C ZINC000186261692 822866498 /nfs/dbraw/zinc/86/64/98/822866498.db2.gz NSCPLGSSYFNBDP-RTBURBONSA-N 1 0 399.922 4.281 20 0 GIADRO Cc1c(Cl)cccc1N1CCCN(C(=O)Nc2cccc3c2CC[NH2+]C3)CC1 ZINC000568972816 822866777 /nfs/dbraw/zinc/86/67/77/822866777.db2.gz ZIIWRXNHISAUKV-UHFFFAOYSA-N 1 0 398.938 4.038 20 0 GIADRO COc1cc(NC(=O)NC2CC[NH+](C3CCCC3)CC2)ccc1OC(C)C ZINC000186264736 822866952 /nfs/dbraw/zinc/86/69/52/822866952.db2.gz DHPYFHYLOIUYCA-UHFFFAOYSA-N 1 0 375.513 4.011 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2OC(F)F)cc1 ZINC000054194055 822866970 /nfs/dbraw/zinc/86/69/70/822866970.db2.gz RWFHNQIPXINQOO-UONOGXRCSA-N 1 0 378.419 4.365 20 0 GIADRO Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)NCc2cccc(C[NH+](C)C)c2)cc1 ZINC000175012349 822867101 /nfs/dbraw/zinc/86/71/01/822867101.db2.gz BLXFPTPZECSBBS-PKTZIBPZSA-N 1 0 395.547 4.024 20 0 GIADRO CCC[N@H+](CC(=O)Nc1ccccc1C)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000186266400 822867117 /nfs/dbraw/zinc/86/71/17/822867117.db2.gz MXGQKKOHTLLAQR-UHFFFAOYSA-N 1 0 382.504 4.491 20 0 GIADRO Cc1ccc(NC(=O)[C@H](C)c2ccc(Cl)s2)cc1NC(=O)CC[NH+](C)C ZINC000186266763 822867199 /nfs/dbraw/zinc/86/71/99/822867199.db2.gz AANCQFCXIMMIPG-CYBMUJFWSA-N 1 0 393.940 4.342 20 0 GIADRO COc1cc(NC(=O)NCCCCC[NH+]2CCCCC2)ccc1OC(C)C ZINC000186271323 822867950 /nfs/dbraw/zinc/86/79/50/822867950.db2.gz QLVGUSYVACVBKG-UHFFFAOYSA-N 1 0 377.529 4.260 20 0 GIADRO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3cc(-c4ccc(F)cc4)no3)C2)n1 ZINC000054205475 822868287 /nfs/dbraw/zinc/86/82/87/822868287.db2.gz FTELFXUWDFTZJX-KRWDZBQOSA-N 1 0 394.450 4.035 20 0 GIADRO Cc1ccc(CNC(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)nc1 ZINC000568994784 822868388 /nfs/dbraw/zinc/86/83/88/822868388.db2.gz MZOYTMALSZJDLT-UHFFFAOYSA-N 1 0 388.515 4.118 20 0 GIADRO C[C@H]([NH2+]C1CC1)C(=O)Nc1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000569003079 822868876 /nfs/dbraw/zinc/86/88/76/822868876.db2.gz NRJNYQPRQXXHKF-HNNXBMFYSA-N 1 0 379.504 4.315 20 0 GIADRO Cc1ccc(-c2nc(CC(=O)N[C@H]3CC[N@@H+]([C@@H](C)c4ccccc4)C3)cs2)o1 ZINC000054223386 822869183 /nfs/dbraw/zinc/86/91/83/822869183.db2.gz QQZOITYVKUKCEK-WMZOPIPTSA-N 1 0 395.528 4.206 20 0 GIADRO Cc1oc(-c2ccccc2)nc1C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000054226812 822869736 /nfs/dbraw/zinc/86/97/36/822869736.db2.gz WVWHETHQDJVDFF-JXFKEZNVSA-N 1 0 375.472 4.215 20 0 GIADRO COc1ccc(N(C)C(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)cc1F ZINC000569017040 822869927 /nfs/dbraw/zinc/86/99/27/822869927.db2.gz IZJMGRCVXZNGDJ-CYBMUJFWSA-N 1 0 392.500 4.191 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CCCCC(=O)c2ccccc2)C1 ZINC000054228187 822870042 /nfs/dbraw/zinc/87/00/42/822870042.db2.gz QXEZGFDRONYABK-KNQAVFIVSA-N 1 0 378.516 4.381 20 0 GIADRO C[NH2+]Cc1cccc(NC(=O)[C@@H](C)Cc2ccc(F)c(Br)c2)c1 ZINC000457363096 822870386 /nfs/dbraw/zinc/87/03/86/822870386.db2.gz MXAPCOXGCKVNBT-LBPRGKRZSA-N 1 0 379.273 4.125 20 0 GIADRO C[C@H]1CCN(C(=O)c2ccc(COc3ccc4ccccc4c3)o2)[C@@H](C)[C@H]1[NH3+] ZINC000457362790 822870413 /nfs/dbraw/zinc/87/04/13/822870413.db2.gz MWXYGMKPMMYCOI-WCJKSRRJSA-N 1 0 378.472 4.210 20 0 GIADRO C[NH2+]Cc1cccc(NC(=O)C2(Cc3ccc(OC(F)(F)F)cc3)CC2)c1 ZINC000457363869 822870610 /nfs/dbraw/zinc/87/06/10/822870610.db2.gz RZGCQSBENLUJSL-UHFFFAOYSA-N 1 0 378.394 4.266 20 0 GIADRO Cc1nc(C2CCCC2)sc1C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000457370464 822870912 /nfs/dbraw/zinc/87/09/12/822870912.db2.gz OLUIKTQOXPAAIH-MSOLQXFVSA-N 1 0 387.524 4.205 20 0 GIADRO CC[C@@H](CNC(=O)C1CC[NH+](C(C)C)CC1)Cc1cccc(Br)c1 ZINC000175029951 822870890 /nfs/dbraw/zinc/87/08/90/822870890.db2.gz YXXWWFLDSBYSTA-MRXNPFEDSA-N 1 0 395.385 4.254 20 0 GIADRO CCc1cc(N2CCC([NH2+][C@@H](C)c3ccc(C(F)(F)F)cc3)CC2)ncn1 ZINC000175030067 822870936 /nfs/dbraw/zinc/87/09/36/822870936.db2.gz VSVFSVWQCJXXNI-AWEZNQCLSA-N 1 0 378.442 4.377 20 0 GIADRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000457373322 822871164 /nfs/dbraw/zinc/87/11/64/822871164.db2.gz KGSGCPUUWJPYPE-FPOVZHCZSA-N 1 0 379.504 4.353 20 0 GIADRO [NH3+][C@H]1CN(C(=O)c2cc(C3CC3)nc3ccccc32)CC[C@@H]1c1ccc(F)cc1 ZINC000457375336 822871334 /nfs/dbraw/zinc/87/13/34/822871334.db2.gz LHZSOYSCXATJLV-NQIIRXRSSA-N 1 0 389.474 4.208 20 0 GIADRO Cc1csc(Nc2ccc(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc2)n1 ZINC000569037120 822871854 /nfs/dbraw/zinc/87/18/54/822871854.db2.gz IBFXUNFFOQWUHI-HXUWFJFHSA-N 1 0 392.528 4.199 20 0 GIADRO COc1cccc([C@@H](NC(=O)N(C)CCC[NH+](C)C)c2ccccc2Cl)c1 ZINC000186291365 822871871 /nfs/dbraw/zinc/87/18/71/822871871.db2.gz FNOJRXLMUCHZSS-HXUWFJFHSA-N 1 0 389.927 4.031 20 0 GIADRO C[C@H]([NH2+]C[C@H](c1ccc(F)cc1)N1CCOCC1)c1nccc2ccccc21 ZINC000569039607 822872033 /nfs/dbraw/zinc/87/20/33/822872033.db2.gz DOLVFHARXWMWDF-HTAPYJJXSA-N 1 0 379.479 4.098 20 0 GIADRO COc1cc(C[NH2+]CCc2cccnc2OC)ccc1OCc1cccs1 ZINC000569039582 822872101 /nfs/dbraw/zinc/87/21/01/822872101.db2.gz CKKROIJYNNKYHH-UHFFFAOYSA-N 1 0 384.501 4.072 20 0 GIADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)c1cc(C)nc2c1cnn2[C@@H](C)CC)c1ccco1 ZINC000569040862 822872296 /nfs/dbraw/zinc/87/22/96/822872296.db2.gz KKYIHMJAHWJQOJ-QOKNQOGYSA-N 1 0 397.523 4.163 20 0 GIADRO CC[C@H](C)[NH2+][C@H](CNC(=O)c1cc(C)nc2c1cnn2[C@@H](C)CC)c1ccco1 ZINC000569040863 822872323 /nfs/dbraw/zinc/87/23/23/822872323.db2.gz KKYIHMJAHWJQOJ-URLQWDBASA-N 1 0 397.523 4.163 20 0 GIADRO Cc1nc(-c2ccsc2)ccc1C(=O)N1CC[C@H](c2ccc(F)cc2)[C@H]([NH3+])C1 ZINC000457391081 822872455 /nfs/dbraw/zinc/87/24/55/822872455.db2.gz XSOYXBIHVVSWNW-WOJBJXKFSA-N 1 0 395.503 4.215 20 0 GIADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCCc2ncc(-c3ccccc3)o2)C1 ZINC000054286401 822873149 /nfs/dbraw/zinc/87/31/49/822873149.db2.gz GCTDNTXKSBHSEV-GOSISDBHSA-N 1 0 383.536 4.291 20 0 GIADRO CCN(CC)c1ncc(CN2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)s1 ZINC000569052356 822874182 /nfs/dbraw/zinc/87/41/82/822874182.db2.gz KHLJAFWTPZKPCN-QFIPXVFZSA-N 1 0 384.593 4.087 20 0 GIADRO C[C@H](c1nc(-c2ccccc2)no1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000569054339 822874373 /nfs/dbraw/zinc/87/43/73/822874373.db2.gz HPBHXVRFGGVWRV-STZQEDGTSA-N 1 0 388.515 4.252 20 0 GIADRO Cc1cc(Br)c(C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)s1 ZINC000457435007 822874902 /nfs/dbraw/zinc/87/49/02/822874902.db2.gz HWDYVBSSSNHRDL-CHWSQXEVSA-N 1 0 387.387 4.307 20 0 GIADRO C[NH+]1CCC(N(Cc2cscn2)Cc2ccccc2Br)CC1 ZINC000569058861 822875127 /nfs/dbraw/zinc/87/51/27/822875127.db2.gz YIQUXTAWZILADD-UHFFFAOYSA-N 1 0 380.355 4.002 20 0 GIADRO Cc1nc(-c2cccc(NC(=O)CN3CC[N@@H+](C)CC34CCCCC4)c2)cs1 ZINC000175058966 822875404 /nfs/dbraw/zinc/87/54/04/822875404.db2.gz JMTUDJUOPSSPLQ-UHFFFAOYSA-N 1 0 398.576 4.007 20 0 GIADRO C[C@@H]1CN(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)[C@H]1c1ccccc1 ZINC000175060425 822875613 /nfs/dbraw/zinc/87/56/13/822875613.db2.gz IJCVIYAKSTWYEG-AUSIDOKSSA-N 1 0 377.532 4.096 20 0 GIADRO C[C@@H](NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)c1ccccc1Cl ZINC000457451166 822876208 /nfs/dbraw/zinc/87/62/08/822876208.db2.gz HZWVDSLPIZOROK-CYBMUJFWSA-N 1 0 391.865 4.459 20 0 GIADRO C[C@H](NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)c1ccccc1Cl ZINC000457451167 822876222 /nfs/dbraw/zinc/87/62/22/822876222.db2.gz HZWVDSLPIZOROK-ZDUSSCGKSA-N 1 0 391.865 4.459 20 0 GIADRO Cc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(OCc3ccccc3)cc2)cc1 ZINC000569069052 822876350 /nfs/dbraw/zinc/87/63/50/822876350.db2.gz JKAKSXGGRFFGSP-QFIPXVFZSA-N 1 0 377.484 4.104 20 0 GIADRO Cn1cc(-c2ncc(C[NH2+][C@H]3CCC[C@H](c4ccc(Cl)cc4)C3)cn2)cn1 ZINC000569069676 822876560 /nfs/dbraw/zinc/87/65/60/822876560.db2.gz AYGYHUHWTRZQRI-PXNSSMCTSA-N 1 0 381.911 4.347 20 0 GIADRO Cc1ccc(C(=O)CC(C)(C)CC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000186330523 822876983 /nfs/dbraw/zinc/87/69/83/822876983.db2.gz KEZQRGGYOCMDTN-NRFANRHFSA-N 1 0 384.564 4.461 20 0 GIADRO CC1(C)CN(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)[C@H]1c1ccncc1 ZINC000457462937 822877472 /nfs/dbraw/zinc/87/74/72/822877472.db2.gz UHIBEUOVWQVTFT-HKUYNNGSSA-N 1 0 384.549 4.073 20 0 GIADRO CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000186338982 822878165 /nfs/dbraw/zinc/87/81/65/822878165.db2.gz BNUQRFKJRYANBV-NWKXHEKXSA-N 1 0 395.547 4.342 20 0 GIADRO CC(C)C[C@@H](CNC(=O)c1coc(C2CCOCC2)n1)[NH2+][C@@H](C)c1ccccc1 ZINC000569083531 822878455 /nfs/dbraw/zinc/87/84/55/822878455.db2.gz WELVHMWOPXFWLZ-PXNSSMCTSA-N 1 0 399.535 4.064 20 0 GIADRO CC(C)C[C@H](CNC(=O)c1coc(C2CCOCC2)n1)[NH2+][C@H](C)c1ccccc1 ZINC000569083533 822878514 /nfs/dbraw/zinc/87/85/14/822878514.db2.gz WELVHMWOPXFWLZ-YLJYHZDGSA-N 1 0 399.535 4.064 20 0 GIADRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000569088935 822878912 /nfs/dbraw/zinc/87/89/12/822878912.db2.gz VZGPSCAWMFJYFS-SXGZJXTBSA-N 1 0 398.469 4.162 20 0 GIADRO CC[NH+](CC)CCOc1cc(NC(=O)c2cccc3[nH]ccc32)ccc1OC ZINC000175083685 822879324 /nfs/dbraw/zinc/87/93/24/822879324.db2.gz ZTCJXAJRPPNYBT-UHFFFAOYSA-N 1 0 381.476 4.149 20 0 GIADRO Cc1cc(NC(=O)C2C[NH+](C3CCCCC3)C2)ccc1NC(=O)c1ccco1 ZINC000457479955 822879547 /nfs/dbraw/zinc/87/95/47/822879547.db2.gz ITPSAZRURDMQJJ-UHFFFAOYSA-N 1 0 381.476 4.043 20 0 GIADRO O=C(NCc1coc(-c2cccs2)n1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000054377127 822879595 /nfs/dbraw/zinc/87/95/95/822879595.db2.gz FVAFDPGEVYPSDN-SFHVURJKSA-N 1 0 396.516 4.039 20 0 GIADRO CC[C@@H](CC(F)F)C(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000457493141 822881367 /nfs/dbraw/zinc/88/13/67/822881367.db2.gz DYDQZTMZUKZVDM-AWEZNQCLSA-N 1 0 380.401 4.277 20 0 GIADRO C[NH2+]Cc1ccc(NC(=O)C2(Cc3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000569124728 822881450 /nfs/dbraw/zinc/88/14/50/822881450.db2.gz VDDJSSWODCTNMC-UHFFFAOYSA-N 1 0 378.394 4.266 20 0 GIADRO CN(Cc1ccccc1F)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000054393588 822881459 /nfs/dbraw/zinc/88/14/59/822881459.db2.gz YSVANUUZDYPYPP-UHFFFAOYSA-N 1 0 389.902 4.285 20 0 GIADRO CC[C@@H](CC(F)F)C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000457497560 822881927 /nfs/dbraw/zinc/88/19/27/822881927.db2.gz JZJHWTYJHAIDAO-AWEZNQCLSA-N 1 0 391.300 4.021 20 0 GIADRO Cc1cc(C)c(NC(=O)CNC(=O)C[NH2+][C@H](c2ccccc2)C(C)(C)C)c(C)c1 ZINC000054397135 822882158 /nfs/dbraw/zinc/88/21/58/822882158.db2.gz VHSJCCRGFJZUAG-HSZRJFAPSA-N 1 0 395.547 4.044 20 0 GIADRO COc1ccc([C@H]([NH2+][C@H](C)CCC2CC2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000186365150 822882275 /nfs/dbraw/zinc/88/22/75/822882275.db2.gz SJRBEMNUMZEFBJ-ZHRRBRCNSA-N 1 0 387.545 4.356 20 0 GIADRO CCC(=O)Nc1ccc(C)c(NC(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000054412251 822883371 /nfs/dbraw/zinc/88/33/71/822883371.db2.gz ATWBGXRTNXFPPZ-FXAWDEMLSA-N 1 0 394.519 4.301 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc2c(c1)COC(C)(C)O2)c1ccc(N2CCCC2=O)cc1 ZINC000186371108 822883377 /nfs/dbraw/zinc/88/33/77/822883377.db2.gz IMFIEJIGKLYPSP-MRXNPFEDSA-N 1 0 380.488 4.309 20 0 GIADRO CC1(C)OCc2cc(C[NH2+]C[C@@H]3CCCN(Cc4cccs4)C3)ccc2O1 ZINC000186372426 822883670 /nfs/dbraw/zinc/88/36/70/822883670.db2.gz SHRDBEDQHUAWEC-SFHVURJKSA-N 1 0 386.561 4.395 20 0 GIADRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000186375165 822884123 /nfs/dbraw/zinc/88/41/23/822884123.db2.gz KIUZHIFZCNSKTR-HOTGVXAUSA-N 1 0 392.849 4.481 20 0 GIADRO C[N@H+](CCNC(=O)Nc1cccc(CSc2ccccn2)c1)C1CCCC1 ZINC000569152371 822884496 /nfs/dbraw/zinc/88/44/96/822884496.db2.gz VYSFFPHNLYTEAG-UHFFFAOYSA-N 1 0 384.549 4.370 20 0 GIADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1 ZINC000569154681 822885050 /nfs/dbraw/zinc/88/50/50/822885050.db2.gz LZQOYNQIQNWJLS-AVRDEDQJSA-N 1 0 378.516 4.012 20 0 GIADRO COc1cc(CN2CC[C@H]([NH2+][C@@H](C)c3csc(C(C)C)n3)C2)cc(OC)c1 ZINC000186380829 822885232 /nfs/dbraw/zinc/88/52/32/822885232.db2.gz ZJJGOOASECLEGK-RDJZCZTQSA-N 1 0 389.565 4.209 20 0 GIADRO CCOC(=O)c1ccn(-c2cccc(C[NH2+]Cc3ccc(F)c(Cl)c3)c2)n1 ZINC000569155400 822885422 /nfs/dbraw/zinc/88/54/22/822885422.db2.gz DHUIZSNLZMKANJ-UHFFFAOYSA-N 1 0 387.842 4.131 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C1(c2cccc(Cl)c2)CC(=O)C1 ZINC000569158130 822885713 /nfs/dbraw/zinc/88/57/13/822885713.db2.gz PKNCNKAHLNRFDG-UHFFFAOYSA-N 1 0 398.934 4.097 20 0 GIADRO COc1cccc(N2CCC[C@H]([NH2+]Cc3ccc4c(c3)COC(C)(C)O4)C2)c1 ZINC000186385446 822885938 /nfs/dbraw/zinc/88/59/38/822885938.db2.gz NRTDUYLODNIADD-IBGZPJMESA-N 1 0 382.504 4.099 20 0 GIADRO CSC1(CNC(=O)Nc2cc(Cl)c(Cl)cc2F)CC[NH+](C)CC1 ZINC000569158969 822885998 /nfs/dbraw/zinc/88/59/98/822885998.db2.gz CJOKYGFIDNSAGT-UHFFFAOYSA-N 1 0 380.316 4.081 20 0 GIADRO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2cc(NC(=O)c3ccccc3)ccc2C)C1 ZINC000175120989 822886227 /nfs/dbraw/zinc/88/62/27/822886227.db2.gz NRPFNTLCCWPKHJ-HXUWFJFHSA-N 1 0 394.519 4.195 20 0 GIADRO CC(=O)Nc1c(C)ccc(NC(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c1C ZINC000054446080 822886576 /nfs/dbraw/zinc/88/65/76/822886576.db2.gz QUELLWCRUXASJO-FXAWDEMLSA-N 1 0 394.519 4.219 20 0 GIADRO C[C@@H](Cc1cccc(F)c1)N(C)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000457532246 822886859 /nfs/dbraw/zinc/88/68/59/822886859.db2.gz HJEZYDANEBGCMX-SFHVURJKSA-N 1 0 383.511 4.194 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)NC1CCC(C(F)F)CC1 ZINC000457532461 822886899 /nfs/dbraw/zinc/88/68/99/822886899.db2.gz QKFWAKFQTZZZOV-UHFFFAOYSA-N 1 0 379.495 4.296 20 0 GIADRO COc1cccc(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)c1OC(F)F ZINC000569172318 822888548 /nfs/dbraw/zinc/88/85/48/822888548.db2.gz SZSHOEZAGNRYKF-GUDVDZBRSA-N 1 0 389.442 4.301 20 0 GIADRO CCCn1ncc(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c1C1CC1 ZINC000569178900 822889258 /nfs/dbraw/zinc/88/92/58/822889258.db2.gz AQKMXFWVDSXGMO-HXUWFJFHSA-N 1 0 394.563 4.203 20 0 GIADRO C[C@H]([NH2+]CCc1cn(C)c2cc(F)ccc12)c1ccc(N2CCOC2=O)cc1 ZINC000186412349 822890326 /nfs/dbraw/zinc/89/03/26/822890326.db2.gz ZIFCXGUUJVSSKQ-HNNXBMFYSA-N 1 0 381.451 4.167 20 0 GIADRO CCOc1cccc(CNC(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000175141598 822890507 /nfs/dbraw/zinc/89/05/07/822890507.db2.gz FFIDKQVPWYILPX-XLIONFOSSA-N 1 0 387.549 4.029 20 0 GIADRO CC[C@@H](CC(F)F)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C(F)(F)F ZINC000457563350 822891779 /nfs/dbraw/zinc/89/17/79/822891779.db2.gz XTVRUIJAUKEZOS-LBPRGKRZSA-N 1 0 393.400 4.077 20 0 GIADRO O=C(c1ccc(Oc2cccc(F)c2)cn1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000457568582 822892301 /nfs/dbraw/zinc/89/23/01/822892301.db2.gz FUQOHVHFSNNAFP-UHFFFAOYSA-N 1 0 383.467 4.104 20 0 GIADRO Cc1ccc([C@H](OC[C@H](O)C[NH2+]Cc2ccc(C)c(C)n2)c2ccccc2)cc1 ZINC000569214701 822893705 /nfs/dbraw/zinc/89/37/05/822893705.db2.gz ZHNOVJNVQIDSHF-JWQCQUIFSA-N 1 0 390.527 4.264 20 0 GIADRO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186431654 822894236 /nfs/dbraw/zinc/89/42/36/822894236.db2.gz OUQXNANKSICRFD-HSZRJFAPSA-N 1 0 395.453 4.399 20 0 GIADRO CC(C)(C)c1nc(CN2CC[NH+](Cc3c(O)ccc4ccncc43)CC2)cs1 ZINC000054546566 822894529 /nfs/dbraw/zinc/89/45/29/822894529.db2.gz MUTPQKOFWZJWDU-UHFFFAOYSA-N 1 0 396.560 4.012 20 0 GIADRO CCOC(=O)N1CC[C@@H]([NH2+][C@H](C)c2sc(-c3ccc(OC)cc3)nc2C)C1 ZINC000186444260 822896751 /nfs/dbraw/zinc/89/67/51/822896751.db2.gz ZOOBRHVOLUCKHT-CZUORRHYSA-N 1 0 389.521 4.009 20 0 GIADRO COc1ccc2ccccc2c1CNC(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000457622047 822897936 /nfs/dbraw/zinc/89/79/36/822897936.db2.gz DJVRJEUPIXILEF-UHFFFAOYSA-N 1 0 397.544 4.183 20 0 GIADRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)N1CC(c2cccc(Cl)c2)C1 ZINC000457629183 822898717 /nfs/dbraw/zinc/89/87/17/822898717.db2.gz BEOVINSPBNRKLA-UHFFFAOYSA-N 1 0 397.950 4.156 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@@H](C)CCCc2cccnc2)CC1 ZINC000457635567 822899437 /nfs/dbraw/zinc/89/94/37/822899437.db2.gz JDZBUAGCBJLGAM-FQEVSTJZSA-N 1 0 394.563 4.065 20 0 GIADRO Cc1ccc(Oc2ccc(C(=O)N3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)nc2)cc1 ZINC000457669065 822903990 /nfs/dbraw/zinc/90/39/90/822903990.db2.gz KMYLCIJHBAAJCR-JPYJTQIMSA-N 1 0 391.515 4.271 20 0 GIADRO Cc1cc(OCc2ccccc2)c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)s1 ZINC000457670235 822904221 /nfs/dbraw/zinc/90/42/21/822904221.db2.gz XDIYQACRDROZKG-RBUKOAKNSA-N 1 0 384.545 4.192 20 0 GIADRO Cc1cccc([C@@H]2NC(=O)N(C3CC[NH+]([C@H](C)c4ccccc4)CC3)C2=O)c1C ZINC000569301056 822904217 /nfs/dbraw/zinc/90/42/17/822904217.db2.gz ODTQJXVFQDGKOL-GCJKJVERSA-N 1 0 391.515 4.122 20 0 GIADRO Cc1cc(OCc2ccccc2)c(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)s1 ZINC000457670231 822904258 /nfs/dbraw/zinc/90/42/58/822904258.db2.gz XDIYQACRDROZKG-OALUTQOASA-N 1 0 384.545 4.192 20 0 GIADRO COc1ccccc1-c1ncc(C[NH2+][C@@H]2CCO[C@H](c3ccccc3)C2)cn1 ZINC000569303835 822904578 /nfs/dbraw/zinc/90/45/78/822904578.db2.gz VNNBVGMCXNDIKX-KNQAVFIVSA-N 1 0 375.472 4.162 20 0 GIADRO Cc1ccc(C[NH+]2CCCC2)cc1NS(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC000569304964 822904822 /nfs/dbraw/zinc/90/48/22/822904822.db2.gz QRKKJPHQJQKEPL-UHFFFAOYSA-N 1 0 396.915 4.325 20 0 GIADRO Cc1c(Cl)cncc1C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000457685253 822906284 /nfs/dbraw/zinc/90/62/84/822906284.db2.gz IOCUSPUVBOCZAC-UHFFFAOYSA-N 1 0 383.923 4.172 20 0 GIADRO Cc1c(Cl)cncc1C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000457684189 822906417 /nfs/dbraw/zinc/90/64/17/822906417.db2.gz HYKLRCCAJKGZOM-SCLBCKFNSA-N 1 0 396.293 4.259 20 0 GIADRO O=C(c1ccc(Oc2cccc(F)c2)cn1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000457688403 822906865 /nfs/dbraw/zinc/90/68/65/822906865.db2.gz VHKWOWXEOLWXRP-AOMKIAJQSA-N 1 0 395.478 4.102 20 0 GIADRO Cc1nn(-c2ccccc2)cc1C[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000186519423 822907430 /nfs/dbraw/zinc/90/74/30/822907430.db2.gz JITQCEWLYSPOOT-CQSZACIVSA-N 1 0 386.293 4.500 20 0 GIADRO CC[C@H](CC(F)F)C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000457694809 822907861 /nfs/dbraw/zinc/90/78/61/822907861.db2.gz RSGCCLZKEQMGQB-NDGTYSDOSA-N 1 0 376.850 4.270 20 0 GIADRO Cc1ccccc1C(NC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1C ZINC000186528612 822908795 /nfs/dbraw/zinc/90/87/95/822908795.db2.gz ZVCYCZJNXQCMPA-IBGZPJMESA-N 1 0 377.532 4.176 20 0 GIADRO CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(-c2nc3cc(F)ccc3n2C)cc1C ZINC000569338124 822909131 /nfs/dbraw/zinc/90/91/31/822909131.db2.gz AUYARECWPHAMMY-IAGOWNOFSA-N 1 0 380.467 4.014 20 0 GIADRO C[C@H](CNC(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1)[N@H+](C)C1CC1 ZINC000186535010 822909848 /nfs/dbraw/zinc/90/98/48/822909848.db2.gz OQEWFIDDAFMYOX-GFCCVEGCSA-N 1 0 382.382 4.058 20 0 GIADRO Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2cccc(C(C)C)c2)C1 ZINC000457722591 822910874 /nfs/dbraw/zinc/91/08/74/822910874.db2.gz DWNOVKMFRZZHBL-IBGZPJMESA-N 1 0 385.577 4.098 20 0 GIADRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccsc1)c1ccc(OC(F)F)cc1 ZINC000457725743 822911328 /nfs/dbraw/zinc/91/13/28/822911328.db2.gz WFCJIONYXVIBLT-CQSZACIVSA-N 1 0 397.491 4.184 20 0 GIADRO COCCC[C@H]([NH2+][C@H](CCO)c1ccco1)c1ccc(Br)cc1 ZINC000186551958 822911689 /nfs/dbraw/zinc/91/16/89/822911689.db2.gz OAPKXEDGFQUXJA-DLBZAZTESA-N 1 0 382.298 4.223 20 0 GIADRO Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@]2(C)CC[C@H](C)C2(C)C)C1 ZINC000457728967 822911828 /nfs/dbraw/zinc/91/18/28/822911828.db2.gz JVDZUAULPPMSNT-WJPUGNRLSA-N 1 0 377.598 4.194 20 0 GIADRO CC(C)Cc1ccc([C@H](C[NH2+]C2CCN(Cc3ccccn3)CC2)N(C)C)cc1 ZINC000569373236 822912618 /nfs/dbraw/zinc/91/26/18/822912618.db2.gz JXAMOLYPOSEISV-VWLOTQADSA-N 1 0 394.607 4.137 20 0 GIADRO Cc1csc([C@H](C)C[NH2+][C@H]2CCCC[C@H]2S(=O)(=O)c2ccc(C)cc2)n1 ZINC000186557785 822913004 /nfs/dbraw/zinc/91/30/04/822913004.db2.gz VUPLKGMZYAZFEH-AYOQOUSVSA-N 1 0 392.590 4.238 20 0 GIADRO O=C(c1cccc(CN2CCC[N@H+](Cc3ccccc3)CC2)c1)N1CCCCC1 ZINC000054808469 822914575 /nfs/dbraw/zinc/91/45/75/822914575.db2.gz JPXKOHFXSOQHFZ-UHFFFAOYSA-N 1 0 391.559 4.021 20 0 GIADRO Cc1csc([C@@H](C)C[NH2+][C@@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)n1 ZINC000186567488 822914593 /nfs/dbraw/zinc/91/45/93/822914593.db2.gz RHCRYLZSAHBXGS-KBPBESRZSA-N 1 0 379.957 4.235 20 0 GIADRO Cc1ccc(NC(=O)Cc2cccc(C(C)C)c2)cc1NC(=O)CC[NH+](C)C ZINC000457752028 822914728 /nfs/dbraw/zinc/91/47/28/822914728.db2.gz OCCZOQYBENMNJA-UHFFFAOYSA-N 1 0 381.520 4.190 20 0 GIADRO O=C(C[C@@H]1CCCc2ccccc21)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000186568883 822914957 /nfs/dbraw/zinc/91/49/57/822914957.db2.gz KEZZLGNNAWLPIL-RBBKRZOGSA-N 1 0 377.532 4.063 20 0 GIADRO CC(C)Oc1cccc(/C=C/C(=O)N(Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c1 ZINC000186573540 822915868 /nfs/dbraw/zinc/91/58/68/822915868.db2.gz CEDLXGGWSYJCHP-LEQVUBRHSA-N 1 0 393.531 4.053 20 0 GIADRO O=C(c1cc(C(F)(F)F)ccc1F)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000186578697 822916619 /nfs/dbraw/zinc/91/66/19/822916619.db2.gz DQBMBAOYAUFTCL-MRXNPFEDSA-N 1 0 395.400 4.024 20 0 GIADRO CCCCn1c(=S)n(CN2CCSC(C)(C)C2)nc1[C@H](CC)[NH+](C)C ZINC000175259972 822917393 /nfs/dbraw/zinc/91/73/93/822917393.db2.gz JPXDVJXICIBHLG-HNNXBMFYSA-N 1 0 385.647 4.012 20 0 GIADRO Cc1nc(-c2ccc([C@H](C)NC(=O)N3CC[C@]4(C3)CCC[N@H+](C)C4)cc2)cs1 ZINC000457772729 822917396 /nfs/dbraw/zinc/91/73/96/822917396.db2.gz JXUKNZKAHFXQKG-KSFYIVLOSA-N 1 0 398.576 4.307 20 0 GIADRO O=C(CN1CCC([NH2+]CC2CCC(C(F)(F)F)CC2)CC1)Nc1ccccc1 ZINC000186585782 822917843 /nfs/dbraw/zinc/91/78/43/822917843.db2.gz HXGNAFNKPQIGLZ-UHFFFAOYSA-N 1 0 397.485 4.048 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(F)c3ccccc32)cc1 ZINC000569406047 822917914 /nfs/dbraw/zinc/91/79/14/822917914.db2.gz BNEZHAQTTSDQHP-CQSZACIVSA-N 1 0 379.435 4.227 20 0 GIADRO COc1cc(-c2noc([C@H]3CC[C@H](C(F)(F)F)C3)n2)ccc1OCC[NH+](C)C ZINC000569408349 822918117 /nfs/dbraw/zinc/91/81/17/822918117.db2.gz IUIUDUQAETYUQL-KBPBESRZSA-N 1 0 399.413 4.132 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)Cc1cccc(Cl)c1F ZINC000569415671 822919636 /nfs/dbraw/zinc/91/96/36/822919636.db2.gz VRPLZUJJMZNUCJ-UHFFFAOYSA-N 1 0 389.902 4.182 20 0 GIADRO Cc1ccc2c(CC(=O)N(Cc3ccccn3)[C@H]3CCC[NH2+]CC3)coc2c1C ZINC000186598546 822920971 /nfs/dbraw/zinc/92/09/71/822920971.db2.gz OKTYDTBCLGAHQJ-NRFANRHFSA-N 1 0 391.515 4.158 20 0 GIADRO COc1cccc([C@@H](CNC(=O)N(C)[C@H](C)c2ccc(F)cc2)[NH+]2CCCC2)c1 ZINC000054921205 822922319 /nfs/dbraw/zinc/92/23/19/822922319.db2.gz ICUATMRZPJWMPL-VGOFRKELSA-N 1 0 399.510 4.374 20 0 GIADRO COc1cccc([C@H](CNC(=O)N(C)[C@H](C)c2ccc(F)cc2)[NH+]2CCCC2)c1 ZINC000054921201 822922362 /nfs/dbraw/zinc/92/23/62/822922362.db2.gz ICUATMRZPJWMPL-VGSWGCGISA-N 1 0 399.510 4.374 20 0 GIADRO Cc1ccc(Oc2ccc(C(=O)N3CC[N@@H+](C4CCC4)C[C@@H](C)C3)nc2)cc1 ZINC000457820465 822922687 /nfs/dbraw/zinc/92/26/87/822922687.db2.gz TYCBTRVZTIHDEZ-GOSISDBHSA-N 1 0 379.504 4.129 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1nc(Cl)ccc1Cl ZINC000175280000 822923009 /nfs/dbraw/zinc/92/30/09/822923009.db2.gz BETMVCNNFLSSLA-MRXNPFEDSA-N 1 0 392.330 4.373 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cc1c(C)[nH]c2ccccc21 ZINC000175281329 822923206 /nfs/dbraw/zinc/92/32/06/822923206.db2.gz WGNJZMNCKCWZID-OAQYLSRUSA-N 1 0 389.543 4.389 20 0 GIADRO CSc1ccc(Cl)c(C(=O)N(Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c1 ZINC000186612085 822923498 /nfs/dbraw/zinc/92/34/98/822923498.db2.gz IFELKFRZAKSSFU-MRXNPFEDSA-N 1 0 389.952 4.241 20 0 GIADRO CCOCCCC[NH2+]Cc1cc(Br)c(C)c(Br)c1 ZINC000569442140 822923770 /nfs/dbraw/zinc/92/37/70/822923770.db2.gz CXQBVTBMHAWPHC-UHFFFAOYSA-N 1 0 379.136 4.426 20 0 GIADRO C[C@H]1C[C@H](NC(=O)NCc2nc3ccccc3s2)CC[N@@H+]1Cc1ccccc1 ZINC000175283491 822923924 /nfs/dbraw/zinc/92/39/24/822923924.db2.gz MFIMUZAWKUUWQP-FUHWJXTLSA-N 1 0 394.544 4.149 20 0 GIADRO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]Cc1ccc(C(C)(C)O)cc1 ZINC000186620191 822924927 /nfs/dbraw/zinc/92/49/27/822924927.db2.gz ITWQUEKJNVLKHH-MRXNPFEDSA-N 1 0 388.939 4.094 20 0 GIADRO C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@H](c3cnn(C)c3)c3ccc(F)cc3)CC2)C1 ZINC000186629415 822926170 /nfs/dbraw/zinc/92/61/70/822926170.db2.gz CTZJKGPPQSDNNA-ZQMYSKGWSA-N 1 0 384.543 4.281 20 0 GIADRO COc1cc(C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)ccc1OCC(F)(F)F ZINC000569463388 822926238 /nfs/dbraw/zinc/92/62/38/822926238.db2.gz HSLIPIXXMNXNOW-SJLPKXTDSA-N 1 0 385.426 4.170 20 0 GIADRO COc1ccc(NC(=S)NC[C@@H](c2ccccc2OC)[NH+]2CCCCC2)cc1 ZINC000054971283 822926285 /nfs/dbraw/zinc/92/62/85/822926285.db2.gz KVQWMVLBFDXSFP-FQEVSTJZSA-N 1 0 399.560 4.217 20 0 GIADRO C[C@H]1C[C@@H](NC(=O)NCCc2c[nH]c3ccccc23)CC[N@@H+]1Cc1ccccc1 ZINC000175291402 822926304 /nfs/dbraw/zinc/92/63/04/822926304.db2.gz HMPGNCSKESVADX-RXVVDRJESA-N 1 0 390.531 4.063 20 0 GIADRO C[NH+](C)[C@H](CNC(=S)Nc1ccc(OC(F)F)cc1)c1ccc(F)cc1 ZINC000054971375 822926646 /nfs/dbraw/zinc/92/66/46/822926646.db2.gz ORWGWRZUYQUHNQ-MRXNPFEDSA-N 1 0 383.439 4.016 20 0 GIADRO CC[C@H](NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccncc1 ZINC000175293572 822926880 /nfs/dbraw/zinc/92/68/80/822926880.db2.gz UPNIWXQLHOPTSQ-COPCDDAFSA-N 1 0 380.536 4.227 20 0 GIADRO COc1ccc(-c2noc([C@H]3CCC[N@H+](CCc4ccccc4)C3)n2)cc1OC ZINC000569470338 822927205 /nfs/dbraw/zinc/92/72/05/822927205.db2.gz ADXAHOYJBKEWIQ-IBGZPJMESA-N 1 0 393.487 4.176 20 0 GIADRO CC(=O)c1cc(NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)ccc1C ZINC000569472413 822927212 /nfs/dbraw/zinc/92/72/12/822927212.db2.gz YTSZJJAAJLHMES-UHFFFAOYSA-N 1 0 383.467 4.123 20 0 GIADRO CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000186641775 822928163 /nfs/dbraw/zinc/92/81/63/822928163.db2.gz VMHCECPXYAHEDF-NZQKXSOJSA-N 1 0 397.494 4.277 20 0 GIADRO C[C@H](CC(=O)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21)n1ccnc1 ZINC000569490238 822928953 /nfs/dbraw/zinc/92/89/53/822928953.db2.gz WAIMLQGWOPEKBO-CJNGLKHVSA-N 1 0 384.480 4.291 20 0 GIADRO Cc1cc(C)c(NC(=S)N[C@@H](Cc2ccccc2)C[NH+](C)C)c(Cl)c1 ZINC000054990673 822928973 /nfs/dbraw/zinc/92/89/73/822928973.db2.gz QITLWVYMIJQFQV-KRWDZBQOSA-N 1 0 375.969 4.416 20 0 GIADRO CC[NH+](CC)[C@@H](C(=O)N[C@@H](C)c1cncc(F)c1)c1cccc(C(F)(F)F)c1 ZINC000457899043 822930861 /nfs/dbraw/zinc/93/08/61/822930861.db2.gz ZLIPCPUEMGGUGD-SCLBCKFNSA-N 1 0 397.416 4.500 20 0 GIADRO C[C@H](Cc1ccc(Br)c(F)c1)[NH2+][C@H]1CCCc2[nH]c(=O)ccc21 ZINC000569507484 822931471 /nfs/dbraw/zinc/93/14/71/822931471.db2.gz DRDUFQHOYOBJMP-BZNIZROVSA-N 1 0 379.273 4.287 20 0 GIADRO CN(C)c1cc[n+](C(C(=O)c2ccc(Cl)cc2)C(=S)NC(C)(C)C)cc1 ZINC000055014840 822931657 /nfs/dbraw/zinc/93/16/57/822931657.db2.gz XJNJSVUFIZPXAA-UHFFFAOYSA-O 1 0 390.960 4.020 20 0 GIADRO CC(=O)c1c(C)cc(C)c(C[NH+]2CCC(NC(=O)NC3CCCCC3)CC2)c1C ZINC000055027664 822932244 /nfs/dbraw/zinc/93/22/44/822932244.db2.gz PWFLVKFGVRDIIS-UHFFFAOYSA-N 1 0 399.579 4.411 20 0 GIADRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)N1CCC=C(c2ccccc2)C1 ZINC000569512289 822932342 /nfs/dbraw/zinc/93/23/42/822932342.db2.gz MZRSHELAMIKWSA-LJQANCHMSA-N 1 0 395.572 4.459 20 0 GIADRO NC(=O)[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]Cc1ccc2sccc2c1 ZINC000569516274 822933148 /nfs/dbraw/zinc/93/31/48/822933148.db2.gz ALWGWOJGIMEFFF-MRXNPFEDSA-N 1 0 378.419 4.106 20 0 GIADRO CO[C@H](C)c1nc(CN2CCC[N@H+](C[C@H]3CC(C)=C[C@@H](C)C3)CC2)cs1 ZINC000569515965 822933213 /nfs/dbraw/zinc/93/32/13/822933213.db2.gz UOJSLSNLKZECPU-BHIYHBOVSA-N 1 0 377.598 4.351 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)CCc1ccc(-c2ccccc2)[nH]1)c1cccc(F)c1 ZINC000055039118 822933255 /nfs/dbraw/zinc/93/32/55/822933255.db2.gz RIWDSZRXICNBJQ-QFIPXVFZSA-N 1 0 379.479 4.173 20 0 GIADRO Cc1ccc(CNC(=O)C2CC[NH+](Cc3cc(C)nc4ccccc34)CC2)cc1 ZINC000175318430 822933744 /nfs/dbraw/zinc/93/37/44/822933744.db2.gz MWJRZKYIYSWXGS-UHFFFAOYSA-N 1 0 387.527 4.380 20 0 GIADRO CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186669998 822933843 /nfs/dbraw/zinc/93/38/43/822933843.db2.gz XORWIZQNVQJNQV-HSZRJFAPSA-N 1 0 377.440 4.241 20 0 GIADRO Cc1cccc([C@H]2CC[N@H+](Cc3csc(-c4ccc(C(N)=O)cc4)n3)C2)c1 ZINC000569529396 822935128 /nfs/dbraw/zinc/93/51/28/822935128.db2.gz VGBFNOCXALKECU-IBGZPJMESA-N 1 0 377.513 4.207 20 0 GIADRO Cc1cccc([C@@H]2CC[N@H+](Cc3csc(-c4ccc(C(N)=O)cc4)n3)C2)c1 ZINC000569529400 822935185 /nfs/dbraw/zinc/93/51/85/822935185.db2.gz VGBFNOCXALKECU-LJQANCHMSA-N 1 0 377.513 4.207 20 0 GIADRO Cc1ccc(CNC(=O)C2CC[NH+](Cc3cccc(OC(F)F)c3)CC2)cc1 ZINC000175323968 822935352 /nfs/dbraw/zinc/93/53/52/822935352.db2.gz VJEBFZDWDAHDJR-UHFFFAOYSA-N 1 0 388.458 4.125 20 0 GIADRO O=C(c1ccc(C[NH+]2CCC(COc3ccccc3)CC2)cc1)N1CCCC1 ZINC000055082130 822936634 /nfs/dbraw/zinc/93/66/34/822936634.db2.gz RHCNMHDSCYZEMH-UHFFFAOYSA-N 1 0 378.516 4.214 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)Nc1cccc(N2CCCCC2)c1 ZINC000055084289 822936918 /nfs/dbraw/zinc/93/69/18/822936918.db2.gz LYIXVISNIZFFOI-HXUWFJFHSA-N 1 0 382.508 4.229 20 0 GIADRO COc1ccccc1C(C)(C)c1noc(C2CCN(c3cc[nH+]cc3C)CC2)n1 ZINC000569542462 822937427 /nfs/dbraw/zinc/93/74/27/822937427.db2.gz DPDZXKHHTBSVEV-UHFFFAOYSA-N 1 0 392.503 4.492 20 0 GIADRO CC[C@H](NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)c1cccs1 ZINC000457927681 822938122 /nfs/dbraw/zinc/93/81/22/822938122.db2.gz MMQFKKNDQYLIMG-AWEZNQCLSA-N 1 0 377.476 4.257 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)CC[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000055103407 822938580 /nfs/dbraw/zinc/93/85/80/822938580.db2.gz GBUSYFLTSOQBJW-UHFFFAOYSA-N 1 0 388.895 4.262 20 0 GIADRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000569569689 822940971 /nfs/dbraw/zinc/94/09/71/822940971.db2.gz AFILXASBKIPVTB-GJZGRUSLSA-N 1 0 377.941 4.044 20 0 GIADRO COc1cc(-c2noc(C[N@H+](C[C@H](C)c3ccccc3)[C@@H](C)CO)n2)ccc1C ZINC000569584696 822942153 /nfs/dbraw/zinc/94/21/53/822942153.db2.gz PLNNMQRNIYDLHZ-ROUUACIJSA-N 1 0 395.503 4.040 20 0 GIADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)NC(c3ccc(F)cc3)c3ccc(F)cc3)C2)C1 ZINC000457952768 822943436 /nfs/dbraw/zinc/94/34/36/822943436.db2.gz QLWLVHZRVWDKFR-HSZRJFAPSA-N 1 0 399.485 4.182 20 0 GIADRO C[C@H](Nc1ccc(C(=O)N2CCCC2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000569625955 822946511 /nfs/dbraw/zinc/94/65/11/822946511.db2.gz WVBRSYFTAQOTQI-SIKLNZKXSA-N 1 0 377.532 4.245 20 0 GIADRO CCOC(=O)[C@H]1CC[C@@H]([NH2+]CCCc2ccc3c(c2)OCCO3)c2ccccc21 ZINC000569626850 822946733 /nfs/dbraw/zinc/94/67/33/822946733.db2.gz BAYUBLPDRLLQSM-LEWJYISDSA-N 1 0 395.499 4.162 20 0 GIADRO COc1ccc([C@@H](NC(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)c2ccc(F)cc2)cc1 ZINC000457975327 822946826 /nfs/dbraw/zinc/94/68/26/822946826.db2.gz UBLFYSMNBHQKDT-IRLDBZIGSA-N 1 0 399.510 4.048 20 0 GIADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCCc2ccc3c(c2)OCCO3)c2ccccc21 ZINC000569626852 822946841 /nfs/dbraw/zinc/94/68/41/822946841.db2.gz BAYUBLPDRLLQSM-RTWAWAEBSA-N 1 0 395.499 4.162 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)[C@H]1Cc2ccccc2C(=O)O1)C1CCCCC1 ZINC000055252152 822947898 /nfs/dbraw/zinc/94/78/98/822947898.db2.gz BJLJQGWSSHIOGU-JOCHJYFZSA-N 1 0 392.499 4.171 20 0 GIADRO CC(C)(C)n1nccc1NC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000569642855 822949026 /nfs/dbraw/zinc/94/90/26/822949026.db2.gz SUGQJTJETHHWMH-KRWDZBQOSA-N 1 0 389.931 4.250 20 0 GIADRO CC(C)(C)n1nccc1NC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000569642856 822949133 /nfs/dbraw/zinc/94/91/33/822949133.db2.gz SUGQJTJETHHWMH-QGZVFWFLSA-N 1 0 389.931 4.250 20 0 GIADRO COc1cc(-c2noc([C@H]3[C@H](c4ccccc4)[C@@H]3C)n2)ccc1OCC[NH+](C)C ZINC000569645912 822949428 /nfs/dbraw/zinc/94/94/28/822949428.db2.gz FWWORMCNPYJCNZ-ONGXBYRLSA-N 1 0 393.487 4.203 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1nc2ccccc2cc1Cl ZINC000569652467 822950458 /nfs/dbraw/zinc/95/04/58/822950458.db2.gz FPDURFMBIGOMEC-GOSISDBHSA-N 1 0 393.918 4.482 20 0 GIADRO COc1ccc(CCC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1Cl ZINC000055309973 822950623 /nfs/dbraw/zinc/95/06/23/822950623.db2.gz UDSXZFAIEBWDEJ-SFHVURJKSA-N 1 0 390.911 4.218 20 0 GIADRO CCc1c(NC(=O)CCCC[NH+](C)C)cnn1-c1cccc(C(F)(F)F)c1 ZINC000569660611 822951847 /nfs/dbraw/zinc/95/18/47/822951847.db2.gz BQMZFWFKWWBCRX-UHFFFAOYSA-N 1 0 382.430 4.124 20 0 GIADRO CC(C)Oc1ccc2[nH+]ccc(N[C@H](C)c3ncc(Br)cn3)c2c1 ZINC000569662810 822952380 /nfs/dbraw/zinc/95/23/80/822952380.db2.gz XCQIMZWDQWACLQ-GFCCVEGCSA-N 1 0 387.281 4.170 20 0 GIADRO CCSc1cccc(Br)c1NC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000569674865 822953793 /nfs/dbraw/zinc/95/37/93/822953793.db2.gz UQQJIHGRITXLSM-GXTWGEPZSA-N 1 0 398.370 4.071 20 0 GIADRO Cn1cccc1[C@H]1CCCCN1C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000175384975 822953941 /nfs/dbraw/zinc/95/39/41/822953941.db2.gz NGZKWUIOQVWPGY-HSZRJFAPSA-N 1 0 394.563 4.174 20 0 GIADRO CC[NH+](CC)[C@@H](C(=O)NC1CCC(OC)CC1)c1cccc(C(F)(F)F)c1 ZINC000458056198 822954128 /nfs/dbraw/zinc/95/41/28/822954128.db2.gz DBIVXQJRAHLKSP-DAWZGUTISA-N 1 0 386.458 4.162 20 0 GIADRO [NH3+][C@H](CNC(=O)N1CCCC[C@H]1c1nc2cc(Cl)ccc2[nH]1)c1ccccc1 ZINC000569677403 822954149 /nfs/dbraw/zinc/95/41/49/822954149.db2.gz JCKXVUKEPKCGPH-APWZRJJASA-N 1 0 397.910 4.153 20 0 GIADRO Cc1ccc(-c2cnc(-c3ccccc3C(=O)N[C@@H]3C[NH2+]CC[C@@H]3C)o2)cc1 ZINC000186783494 822954759 /nfs/dbraw/zinc/95/47/59/822954759.db2.gz BRVBEXBFDVXMCR-OXJNMPFZSA-N 1 0 375.472 4.045 20 0 GIADRO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+](Cc2ccc3c(c2)nnn3C)C1 ZINC000569679807 822954758 /nfs/dbraw/zinc/95/47/58/822954758.db2.gz RZPSEPFBQYMEQC-SFHVURJKSA-N 1 0 388.519 4.279 20 0 GIADRO Cc1ccc(Nc2ccccc2C(=O)N2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc1 ZINC000569685493 822955153 /nfs/dbraw/zinc/95/51/53/822955153.db2.gz UVEMXKSOLLAHCL-CVDCTZTESA-N 1 0 393.531 4.097 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCO2)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000055375132 822955889 /nfs/dbraw/zinc/95/58/89/822955889.db2.gz FTZPQCURMQXYNZ-NWDGAFQWSA-N 1 0 380.366 4.112 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccccc2CN2CCc3ccccc32)CC[N@@H+]1C ZINC000175389195 822955852 /nfs/dbraw/zinc/95/58/52/822955852.db2.gz BTFHBYHVUCATGF-WIYYLYMNSA-N 1 0 392.547 4.196 20 0 GIADRO CC(C)[N@@H+](Cc1ccc(NC(=O)[C@@H](C)Cc2c[nH]cn2)cc1)C[C@@H]1CCCCO1 ZINC000569705982 822957248 /nfs/dbraw/zinc/95/72/48/822957248.db2.gz CMLWLKVWHRJOTG-AVRDEDQJSA-N 1 0 398.551 4.007 20 0 GIADRO CC(C)[N@@H+](Cc1ccc(NC(=O)[C@H](C)Cc2c[nH]cn2)cc1)C[C@H]1CCCCO1 ZINC000569705987 822957283 /nfs/dbraw/zinc/95/72/83/822957283.db2.gz CMLWLKVWHRJOTG-XMSQKQJNSA-N 1 0 398.551 4.007 20 0 GIADRO CCCC[NH+]1CCC(NC(=O)C2(c3cc(F)cc(C(F)(F)F)c3)CC2)CC1 ZINC000186799844 822957439 /nfs/dbraw/zinc/95/74/39/822957439.db2.gz WSUXMHPUNJJKFD-UHFFFAOYSA-N 1 0 386.433 4.257 20 0 GIADRO CCOC(=O)c1csc(CS[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000569724040 822959323 /nfs/dbraw/zinc/95/93/23/822959323.db2.gz SXWSFPQULQPXAG-INIZCTEOSA-N 1 0 376.547 4.218 20 0 GIADRO C[C@@]1(NC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)C[C@H]1c1ccccc1 ZINC000458115810 822959839 /nfs/dbraw/zinc/95/98/39/822959839.db2.gz VSQJROIBPQQWOG-PIPMEXSNSA-N 1 0 383.561 4.206 20 0 GIADRO COC[C@H]([NH2+][C@@H](C)CC(=O)Nc1ccc(OC)cc1)c1cccc(Cl)c1 ZINC000569736111 822960904 /nfs/dbraw/zinc/96/09/04/822960904.db2.gz QHNXEWCISQWLPC-LIRRHRJNSA-N 1 0 376.884 4.043 20 0 GIADRO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]Cc1cc(C)nc(N2CCCC2)c1 ZINC000569746563 822962800 /nfs/dbraw/zinc/96/28/00/822962800.db2.gz VUPDVOKVWXTKKS-UHFFFAOYSA-N 1 0 393.510 4.222 20 0 GIADRO c1cc([C@H]2CCC[N@H+]([C@@H](c3nc(-c4ccccc4)no3)c3ccccc3)C2)n[nH]1 ZINC000175413503 822962956 /nfs/dbraw/zinc/96/29/56/822962956.db2.gz JIVVMDNDPTZLGT-PZJWPPBQSA-N 1 0 385.471 4.429 20 0 GIADRO Cc1ccc([C@H](CNC(=O)N2CC(C)(C)[C@@H]2c2ccncc2)[NH+]2CCCC2)cc1 ZINC000458158582 822963676 /nfs/dbraw/zinc/96/36/76/822963676.db2.gz VRMREIZYRRJGRU-VXKWHMMOSA-N 1 0 392.547 4.320 20 0 GIADRO O=C(Nc1ccc2c(c1)CCCO2)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000569757546 822964363 /nfs/dbraw/zinc/96/43/63/822964363.db2.gz SHCXXIQOCFZIHK-DEOSSOPVSA-N 1 0 391.515 4.142 20 0 GIADRO CC(C)c1noc2nc(-c3ccco3)cc(C(=O)NCC[C@@H]3CCC[N@H+](C)C3)c21 ZINC000458175237 822965337 /nfs/dbraw/zinc/96/53/37/822965337.db2.gz SQCQGHPTTFAWBX-HNNXBMFYSA-N 1 0 396.491 4.068 20 0 GIADRO CC[NH+](CC)[C@@H](c1nc(-c2ccc(OCC(F)F)nc2)no1)c1ccccc1 ZINC000569765875 822965787 /nfs/dbraw/zinc/96/57/87/822965787.db2.gz CKIGAWDLFSWLOU-GOSISDBHSA-N 1 0 388.418 4.207 20 0 GIADRO Cc1cc(NC(=O)c2c(F)cccc2Br)ccc1OCC[NH+](C)C ZINC000458191493 822966836 /nfs/dbraw/zinc/96/68/36/822966836.db2.gz GUJAPFVZWPANHT-UHFFFAOYSA-N 1 0 395.272 4.089 20 0 GIADRO CC(C)[C@@H](CNC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1)c1cccnc1 ZINC000175431467 822967090 /nfs/dbraw/zinc/96/70/90/822967090.db2.gz LKUXYJITHUPWPO-AUSIDOKSSA-N 1 0 394.563 4.346 20 0 GIADRO Cc1cc(NC(=O)CCc2ccc3ccccc3n2)ccc1OCC[NH+](C)C ZINC000458195999 822967421 /nfs/dbraw/zinc/96/74/21/822967421.db2.gz MLSXLZKAQWRDMX-UHFFFAOYSA-N 1 0 377.488 4.055 20 0 GIADRO Cc1cc(-c2nc(C(=O)N3CCC(CC[N@H+]4CCCC[C@H]4C)CC3)co2)ccn1 ZINC000569780688 822967916 /nfs/dbraw/zinc/96/79/16/822967916.db2.gz VAYOUFGIADNZJC-GOSISDBHSA-N 1 0 396.535 4.162 20 0 GIADRO CC(C)[C@H]1N(C(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)CC12CCCCC2 ZINC000458200758 822967925 /nfs/dbraw/zinc/96/79/25/822967925.db2.gz WDTFFQGRNVAKSY-HSZRJFAPSA-N 1 0 398.591 4.322 20 0 GIADRO Cc1cc(NC(=O)c2occc2COc2ccccc2)ccc1OCC[NH+](C)C ZINC000458201462 822968254 /nfs/dbraw/zinc/96/82/54/822968254.db2.gz URTZMAHMQWMHSN-UHFFFAOYSA-N 1 0 394.471 4.360 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)C[N@@H+](C)[C@@H](C)[C@@H](C)c2ccc(Cl)cc2)c1 ZINC000175437170 822968956 /nfs/dbraw/zinc/96/89/56/822968956.db2.gz QFUUZAYAHQWAEM-CABCVRRESA-N 1 0 387.911 4.361 20 0 GIADRO CC[C@H](C)n1ncc(C(=O)Nc2ccc(OCC[NH+](C)C)c(C)c2)c1C1CC1 ZINC000458214428 822969613 /nfs/dbraw/zinc/96/96/13/822969613.db2.gz OSPMSIQDLWOLOK-INIZCTEOSA-N 1 0 384.524 4.233 20 0 GIADRO Cc1cc(NC(=O)CCc2cnc3ccccc3c2)ccc1OCC[NH+](C)C ZINC000458214288 822969730 /nfs/dbraw/zinc/96/97/30/822969730.db2.gz OGWYYSCMJDVVGP-UHFFFAOYSA-N 1 0 377.488 4.055 20 0 GIADRO COCCC[NH+]1CCC(NC(=O)N2CCCC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000458226026 822970901 /nfs/dbraw/zinc/97/09/01/822970901.db2.gz BZLSWZLJIRHFQO-FQEVSTJZSA-N 1 0 393.959 4.078 20 0 GIADRO CS(=O)(=O)CCCCC[NH2+][C@H]1CCCc2cc(SC(F)F)ccc21 ZINC000186870418 822971650 /nfs/dbraw/zinc/97/16/50/822971650.db2.gz ARNDYDOXZDMEOR-INIZCTEOSA-N 1 0 377.522 4.183 20 0 GIADRO Cc1cc(NC(=O)[C@@]2(C)CCCCN2C(=O)c2ccccc2)ccc1C[NH+](C)C ZINC000458254913 822974315 /nfs/dbraw/zinc/97/43/15/822974315.db2.gz APCHHMHICZSUHD-XMMPIXPASA-N 1 0 393.531 4.080 20 0 GIADRO CCc1c(C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)cnn1-c1ccc(OC)cc1 ZINC000458262687 822975062 /nfs/dbraw/zinc/97/50/62/822975062.db2.gz KRARAFNCPYVPJG-UHFFFAOYSA-N 1 0 392.503 4.066 20 0 GIADRO CCCCCNC(=O)C1CC[NH+](Cc2cc(-c3ccncc3)ccc2OC)CC1 ZINC000186889289 822975332 /nfs/dbraw/zinc/97/53/32/822975332.db2.gz LRKOLGSZVCDWRB-UHFFFAOYSA-N 1 0 395.547 4.276 20 0 GIADRO COc1cc(C[NH2+][C@H](C)[C@@H]2COc3ccccc32)cc(OC)c1OCC(F)F ZINC000569847081 822975642 /nfs/dbraw/zinc/97/56/42/822975642.db2.gz WTJQQVJQWJCORZ-CJNGLKHVSA-N 1 0 393.430 4.002 20 0 GIADRO CC[N@@H+]1CCC[C@H]1CN(Cc1csc(Br)c1)Cc1ccncc1 ZINC000569855612 822976616 /nfs/dbraw/zinc/97/66/16/822976616.db2.gz ATJIQHCNCMJLPG-KRWDZBQOSA-N 1 0 394.382 4.392 20 0 GIADRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)c1ccc(-c2cncnc2)cc1F ZINC000186901504 822977041 /nfs/dbraw/zinc/97/70/41/822977041.db2.gz WLIBSVGOUHQOAZ-UHFFFAOYSA-N 1 0 384.499 4.057 20 0 GIADRO CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)cc1 ZINC000458279605 822977323 /nfs/dbraw/zinc/97/73/23/822977323.db2.gz JXHSXPGEQGBOCR-OAHLLOKOSA-N 1 0 385.533 4.134 20 0 GIADRO Cc1cc(NC(=O)c2cccc(COC3CCOCC3)c2)ccc1C[NH+](C)C ZINC000458279572 822977464 /nfs/dbraw/zinc/97/74/64/822977464.db2.gz JQZNTUHHTXQJEY-UHFFFAOYSA-N 1 0 382.504 4.005 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)c2ccc(N3CCCCC3)cc2)cc1F ZINC000458282384 822977577 /nfs/dbraw/zinc/97/75/77/822977577.db2.gz INZYEBYNWAOHNG-UHFFFAOYSA-N 1 0 385.483 4.009 20 0 GIADRO Cc1ccc(-c2cc(C(=O)N(Cc3ccco3)C3CC[NH+](C)CC3)[nH]n2)cc1C ZINC000186907323 822978112 /nfs/dbraw/zinc/97/81/12/822978112.db2.gz BMQDBJGBRKRPQX-UHFFFAOYSA-N 1 0 392.503 4.023 20 0 GIADRO Cc1cc(NC(=O)Cc2csc(Cc3ccc(F)cc3)n2)ccc1C[NH+](C)C ZINC000458288002 822978617 /nfs/dbraw/zinc/97/86/17/822978617.db2.gz PPMGKUTULYGRPT-UHFFFAOYSA-N 1 0 397.519 4.424 20 0 GIADRO CCCCN(C)C(=O)C1CC[NH+](Cc2cc(-c3ccncc3)ccc2OC)CC1 ZINC000186911378 822978644 /nfs/dbraw/zinc/97/86/44/822978644.db2.gz QVBKRTSEVHKOTC-UHFFFAOYSA-N 1 0 395.547 4.228 20 0 GIADRO COc1ccc([C@H](CCn2cncn2)[NH2+]C[C@@H](c2ccccc2)C2CC2)cc1 ZINC000569872086 822978815 /nfs/dbraw/zinc/97/88/15/822978815.db2.gz BFPWPUFNUFWXQG-GOTSBHOMSA-N 1 0 376.504 4.202 20 0 GIADRO C[C@@H](NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)C(C)(C)c1ccccc1 ZINC000458289153 822979025 /nfs/dbraw/zinc/97/90/25/822979025.db2.gz KFTHLDHEFLEMMU-MRXNPFEDSA-N 1 0 399.501 4.411 20 0 GIADRO CC1CC[NH+](Cc2ccc(-c3noc(-c4ccnn4CC(F)F)n3)cc2)CC1 ZINC000569885324 822980461 /nfs/dbraw/zinc/98/04/61/822980461.db2.gz GWPXPYRSUDISDP-UHFFFAOYSA-N 1 0 387.434 4.097 20 0 GIADRO CC[NH+](CC)[C@H](c1nc(-c2ccc(-n3cncn3)c(C)c2)no1)c1ccccc1 ZINC000569887068 822980657 /nfs/dbraw/zinc/98/06/57/822980657.db2.gz SBLYGAKNVXVBEB-FQEVSTJZSA-N 1 0 388.475 4.057 20 0 GIADRO CCC[C@H](NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC)C1CCCCC1 ZINC000458311421 822982020 /nfs/dbraw/zinc/98/20/20/822982020.db2.gz YDFKKHYFCLTEFB-JKWVGCSGSA-N 1 0 379.589 4.019 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)cc1F ZINC000458316491 822982488 /nfs/dbraw/zinc/98/24/88/822982488.db2.gz LZVLWJINESJAQU-KGLIPLIRSA-N 1 0 376.394 4.073 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)cc1F ZINC000458316493 822982591 /nfs/dbraw/zinc/98/25/91/822982591.db2.gz LZVLWJINESJAQU-ZIAGYGMSSA-N 1 0 376.394 4.073 20 0 GIADRO O[C@H](C[NH2+][C@@H]1CCOc2c(Cl)cccc21)Cc1ccc(C(F)(F)F)cc1 ZINC000569897979 822982892 /nfs/dbraw/zinc/98/28/92/822982892.db2.gz SWZVRTHFNNZSFP-WMLDXEAASA-N 1 0 385.813 4.376 20 0 GIADRO C[C@H]([NH2+][C@@H](c1ccccc1)c1ccc(Cl)cc1)C1CCS(=O)(=O)CC1 ZINC000186934949 822983147 /nfs/dbraw/zinc/98/31/47/822983147.db2.gz YLXMCZGXUDVYIZ-YWZLYKJASA-N 1 0 377.937 4.232 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1F ZINC000458325920 822983500 /nfs/dbraw/zinc/98/35/00/822983500.db2.gz UMZYSJVUOXNILU-QWHCGFSZSA-N 1 0 376.394 4.073 20 0 GIADRO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1ccccc1OCC(F)(F)F ZINC000175498433 822983916 /nfs/dbraw/zinc/98/39/16/822983916.db2.gz HOMKUZHVIBQSCV-HNNXBMFYSA-N 1 0 390.409 4.401 20 0 GIADRO CC(C)Sc1ccc([C@@H](C)NC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000458331151 822984108 /nfs/dbraw/zinc/98/41/08/822984108.db2.gz ZMMGYLKTBTZFFR-DYESRHJHSA-N 1 0 375.582 4.375 20 0 GIADRO Cc1cc2oc(=O)cc(C[NH+]3CCC(O)(Cc4cccc(F)c4)CC3)c2cc1C ZINC000186942655 822984303 /nfs/dbraw/zinc/98/43/03/822984303.db2.gz XMUKXNUFSGGRKU-UHFFFAOYSA-N 1 0 395.474 4.119 20 0 GIADRO CCN(Cc1cccs1)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000175507698 822986044 /nfs/dbraw/zinc/98/60/44/822986044.db2.gz VNXNSXBDAPAVJV-QAPCUYQASA-N 1 0 377.579 4.424 20 0 GIADRO CCCO[C@@H]1CCCN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1 ZINC000175508905 822986318 /nfs/dbraw/zinc/98/63/18/822986318.db2.gz ZUXYDSUJOKSNCO-NSHGMRRFSA-N 1 0 393.597 4.122 20 0 GIADRO Cc1nc(CCCC(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)cs1 ZINC000175509022 822986546 /nfs/dbraw/zinc/98/65/46/822986546.db2.gz DWCMAWTWFQYHNK-QGZVFWFLSA-N 1 0 385.577 4.465 20 0 GIADRO CC(C)Sc1cc(Br)ccc1C[NH2+]C[C@@H]1CC(=O)N(C2CC2)C1 ZINC000569933250 822987146 /nfs/dbraw/zinc/98/71/46/822987146.db2.gz KJXNWBBNGNCTPA-ZDUSSCGKSA-N 1 0 397.382 4.050 20 0 GIADRO CCc1nc([C@H](C)NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cs1 ZINC000175527100 822990993 /nfs/dbraw/zinc/99/09/93/822990993.db2.gz WVLDMMBEYBEPKW-SOLBZPMBSA-N 1 0 386.565 4.119 20 0 GIADRO O=C(C1CCCCC1)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000175533454 822992349 /nfs/dbraw/zinc/99/23/49/822992349.db2.gz GAVPKIOHUXEFGP-GOSISDBHSA-N 1 0 382.470 4.480 20 0 GIADRO C[C@H]([NH2+]C[C@H]1CCN(c2ccccc2)C1)c1ncc(Br)cc1F ZINC000186994016 822993944 /nfs/dbraw/zinc/99/39/44/822993944.db2.gz IYBYTNBSSUKDOF-UONOGXRCSA-N 1 0 378.289 4.160 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000175545478 822994708 /nfs/dbraw/zinc/99/47/08/822994708.db2.gz XVTIICIKCWAPCZ-UKILVPOCSA-N 1 0 392.518 4.201 20 0 GIADRO Clc1ccccc1-c1csc(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)n1 ZINC000187001990 822995296 /nfs/dbraw/zinc/99/52/96/822995296.db2.gz OPVARHREROHWAU-AWEZNQCLSA-N 1 0 399.951 4.381 20 0 GIADRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)c3cccc([C@@H]4CCCOC4)c3)cccc21 ZINC000570018628 822997689 /nfs/dbraw/zinc/99/76/89/822997689.db2.gz FIQRKUBJMOJVSO-WIYYLYMNSA-N 1 0 380.488 4.218 20 0 GIADRO CCOCCC[N@@H+]1CC[C@@H](NCc2cc3ccccc3nc2Cl)[C@H](C)C1 ZINC000187015302 822997889 /nfs/dbraw/zinc/99/78/89/822997889.db2.gz BYBZTFDOSRDMTC-VQIMIIECSA-N 1 0 375.944 4.115 20 0 GIADRO CCC[NH+]1CCN(c2ccc(NC(=O)c3cccc(CC#N)c3)cc2Cl)CC1 ZINC000055695744 823000133 /nfs/dbraw/zinc/00/01/33/823000133.db2.gz VCDUDKHVGIWNSD-UHFFFAOYSA-N 1 0 396.922 4.190 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNc2c(C(=O)[O-])c[nH+]c3c(C)c(C)ccc23)c1 ZINC000570048294 823000612 /nfs/dbraw/zinc/00/06/12/823000612.db2.gz OVMYGLIBMOGIHU-UHFFFAOYSA-N 1 0 377.488 4.036 20 0 GIADRO COc1ccc([C@@H]2CCN(C(=O)N[C@H](C[NH3+])c3ccc4ccccc4c3)C2)cc1 ZINC000570068215 823002770 /nfs/dbraw/zinc/00/27/70/823002770.db2.gz CLZZEBHBSKJCKG-FYYLOGMGSA-N 1 0 389.499 4.047 20 0 GIADRO C[C@H](C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1)c1ccc(Cl)s1 ZINC000175594398 823003855 /nfs/dbraw/zinc/00/38/55/823003855.db2.gz WORLVGZIRKKTQE-AWEZNQCLSA-N 1 0 377.941 4.286 20 0 GIADRO CC[C@@H](NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000175597128 823004241 /nfs/dbraw/zinc/00/42/41/823004241.db2.gz MTIBNWIPWFGZDL-HSZRJFAPSA-N 1 0 395.547 4.452 20 0 GIADRO Cc1nc2ccc(-c3nc(-c4ccccc4N4CC[NH+](C)CC4)no3)cc2s1 ZINC000570083005 823004261 /nfs/dbraw/zinc/00/42/61/823004261.db2.gz TYRYNHOUAZNFHG-UHFFFAOYSA-N 1 0 391.500 4.074 20 0 GIADRO CCOc1cc(C[NH2+][C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)cc(Br)c1OC ZINC000570084908 823004513 /nfs/dbraw/zinc/00/45/13/823004513.db2.gz OPHQHFNOULFCPM-AYOQOUSVSA-N 1 0 388.305 4.284 20 0 GIADRO C[C@@H]([NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1)c1ncc(Br)cc1F ZINC000187057305 823004892 /nfs/dbraw/zinc/00/48/92/823004892.db2.gz JTGUGGFEONSIDP-OLZOCXBDSA-N 1 0 396.279 4.299 20 0 GIADRO Fc1ccccc1COc1ccc(CN2CCC[C@@H]([NH+]3CCCC3)CC2)cn1 ZINC000187066837 823005924 /nfs/dbraw/zinc/00/59/24/823005924.db2.gz CEXYAVKPDXIWLE-OAQYLSRUSA-N 1 0 383.511 4.250 20 0 GIADRO O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)[C@H]1CCc2cccc(O)c21 ZINC000570115707 823006997 /nfs/dbraw/zinc/00/69/97/823006997.db2.gz VVUZHJOHKOPDIW-OALUTQOASA-N 1 0 384.907 4.029 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)NC[C@@H](c2ccc(CC(C)C)cc2)[NH+](C)C)c1 ZINC000570116436 823007089 /nfs/dbraw/zinc/00/70/89/823007089.db2.gz XHYKHOAGAXMFFC-QFIPXVFZSA-N 1 0 396.535 4.268 20 0 GIADRO C[C@H](C[NH2+][C@H](C)c1ncc(Br)cc1F)N1CCc2sccc2C1 ZINC000187086350 823008722 /nfs/dbraw/zinc/00/87/22/823008722.db2.gz HACPWDFRVYDPHO-VXGBXAGGSA-N 1 0 398.345 4.142 20 0 GIADRO C[C@@H](C[NH2+][C@@H](C)c1ncc(Br)cc1F)N1CCc2ccccc2C1 ZINC000187086059 823008846 /nfs/dbraw/zinc/00/88/46/823008846.db2.gz KFEHYPDINOBONT-KBPBESRZSA-N 1 0 392.316 4.081 20 0 GIADRO COc1cccc([C@@H](C[NH2+]Cc2cc(-c3ccncc3)ccc2OC)N(C)C)c1 ZINC000187089761 823009167 /nfs/dbraw/zinc/00/91/67/823009167.db2.gz FVPZEHWHJVPVKC-HSZRJFAPSA-N 1 0 391.515 4.158 20 0 GIADRO C[C@H]([NH2+][C@H](c1cccs1)c1ccc(Cl)cc1)C1CCS(=O)(=O)CC1 ZINC000187089486 823009256 /nfs/dbraw/zinc/00/92/56/823009256.db2.gz INOXSLPCVBFKRJ-UGSOOPFHSA-N 1 0 383.966 4.294 20 0 GIADRO Cc1ccc2cc(C[NH+]3CCC(c4nc(-c5ccccn5)no4)CC3)ccc2n1 ZINC000187090406 823009397 /nfs/dbraw/zinc/00/93/97/823009397.db2.gz VWJDVDUAOODULW-UHFFFAOYSA-N 1 0 385.471 4.368 20 0 GIADRO COc1ccc2oc(C(=O)Nc3ccc(OCC[NH+](C)C)c(F)c3)c(C)c2c1 ZINC000570141071 823009989 /nfs/dbraw/zinc/00/99/89/823009989.db2.gz WXVKUKNNCPEJTN-UHFFFAOYSA-N 1 0 386.423 4.082 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000187097723 823010258 /nfs/dbraw/zinc/01/02/58/823010258.db2.gz DIZZNCZHASCSAU-MRXNPFEDSA-N 1 0 376.456 4.379 20 0 GIADRO CCN(C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)[C@@H](C)c1cc2ccccc2o1 ZINC000570147153 823010344 /nfs/dbraw/zinc/01/03/44/823010344.db2.gz FRVIFKRXUFLCKF-FFZOFVMBSA-N 1 0 377.488 4.281 20 0 GIADRO COc1ccc([C@H](C)N(C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000175634819 823010346 /nfs/dbraw/zinc/01/03/46/823010346.db2.gz ZCMNAZOGCWAROO-DXIQSLLYSA-N 1 0 395.547 4.451 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)N2CCC(C(F)(F)F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000175635883 823010475 /nfs/dbraw/zinc/01/04/75/823010475.db2.gz JMJSITCWCVFBAK-QAPCUYQASA-N 1 0 383.458 4.023 20 0 GIADRO C[C@H]1C[C@H](NC(=O)N(Cc2cccs2)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000175638169 823010955 /nfs/dbraw/zinc/01/09/55/823010955.db2.gz DIHHDAKWVNFOJU-PKOBYXMFSA-N 1 0 383.561 4.475 20 0 GIADRO O=C(NCc1ccccc1OC1CCCC1)NC1CC[NH+](C2CCCC2)CC1 ZINC000175652499 823013252 /nfs/dbraw/zinc/01/32/52/823013252.db2.gz KIEKLXSUXAVALA-UHFFFAOYSA-N 1 0 385.552 4.214 20 0 GIADRO COc1ccc(-c2ccncc2)cc1CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000187125421 823014275 /nfs/dbraw/zinc/01/42/75/823014275.db2.gz DOLDKVMBZAMVJI-OFNKIYASSA-N 1 0 377.532 4.206 20 0 GIADRO COc1cc(C[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)ccc1OCCC(C)C ZINC000187126156 823014433 /nfs/dbraw/zinc/01/44/33/823014433.db2.gz FNXBUAUNBMEUIO-UHFFFAOYSA-N 1 0 396.531 4.319 20 0 GIADRO CCCOc1cc(C[N@H+](Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)ccc1OC ZINC000570202741 823014748 /nfs/dbraw/zinc/01/47/48/823014748.db2.gz BDVLFXPSRFYVTG-RBUKOAKNSA-N 1 0 387.545 4.485 20 0 GIADRO C[C@H]([NH2+]CC1(c2ccc(Cl)cc2)CCCCC1)C1CCS(=O)(=O)CC1 ZINC000187130151 823015175 /nfs/dbraw/zinc/01/51/75/823015175.db2.gz UETKKPCQVRAWOP-INIZCTEOSA-N 1 0 383.985 4.345 20 0 GIADRO COc1ccc([C@H](C)[NH2+]C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1O ZINC000570205739 823015217 /nfs/dbraw/zinc/01/52/17/823015217.db2.gz MXUHERWGMDPMCL-ZDUSSCGKSA-N 1 0 395.425 4.134 20 0 GIADRO COc1cc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)ccc1F ZINC000187137308 823016132 /nfs/dbraw/zinc/01/61/32/823016132.db2.gz YGEAHJFYKYPKTM-GHTZIAJQSA-N 1 0 397.494 4.353 20 0 GIADRO CC[C@H](NC(=O)C1CC[NH+](C2CCN(CC)CC2)CC1)c1cccc(Cl)c1 ZINC000570222744 823016620 /nfs/dbraw/zinc/01/66/20/823016620.db2.gz FIMNPAFRINZNLC-NRFANRHFSA-N 1 0 391.987 4.104 20 0 GIADRO CC[C@@H](C)Sc1ccc(NC(=O)N2CC[NH+](C3CCOCC3)CC2)c(C)c1 ZINC000175669978 823016759 /nfs/dbraw/zinc/01/67/59/823016759.db2.gz UCYIAGUKJXDSOL-QGZVFWFLSA-N 1 0 391.581 4.214 20 0 GIADRO CN(C(=O)Nc1ccc(OC(F)F)cc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000570227917 823016828 /nfs/dbraw/zinc/01/68/28/823016828.db2.gz UBINUWQHVZXNAD-OAHLLOKOSA-N 1 0 393.409 4.165 20 0 GIADRO C[C@@H]1[C@H](NC(=O)N2CCC[C@@H](C(F)(F)F)[C@H]2C)CC[N@@H+]1Cc1ccccc1 ZINC000570238011 823017689 /nfs/dbraw/zinc/01/76/89/823017689.db2.gz PQKKZNSXVYJKBV-JOCBIADPSA-N 1 0 383.458 4.022 20 0 GIADRO C[C@@H]1[C@H](NC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C)CC[N@@H+]1Cc1ccccc1 ZINC000570238010 823017795 /nfs/dbraw/zinc/01/77/95/823017795.db2.gz PQKKZNSXVYJKBV-CIRFHOKZSA-N 1 0 383.458 4.022 20 0 GIADRO COC[C@@H]([NH2+][C@H](C)c1cc(OC)c(OC)c(OC)c1)c1cccc(Cl)c1 ZINC000570241474 823017993 /nfs/dbraw/zinc/01/79/93/823017993.db2.gz IBEMRNCNRBKNDB-CXAGYDPISA-N 1 0 379.884 4.404 20 0 GIADRO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000175678509 823018555 /nfs/dbraw/zinc/01/85/55/823018555.db2.gz OIMMQXUSLIHONP-YLJYHZDGSA-N 1 0 391.540 4.451 20 0 GIADRO COc1ccc(C[C@H](C)C[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)cc1F ZINC000187159068 823018847 /nfs/dbraw/zinc/01/88/47/823018847.db2.gz CHALHLKUZBNLBH-HOTGVXAUSA-N 1 0 386.467 4.320 20 0 GIADRO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CC[C@H](O)C(F)(F)F)cc1 ZINC000570247982 823018961 /nfs/dbraw/zinc/01/89/61/823018961.db2.gz HBPNFKZQJUXIJU-IBGZPJMESA-N 1 0 389.421 4.251 20 0 GIADRO CCc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H]2CCc3nc[nH]c3C2)cc1 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COCCOc1cc(C)ccc1C[NH2+]Cc1ccc(C)cc1-c1ccnn1C ZINC000570296624 823023315 /nfs/dbraw/zinc/02/33/15/823023315.db2.gz IIGQZALVPHHGSA-UHFFFAOYSA-N 1 0 379.504 4.019 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)[C@@H]2SCCc3sccc32)CC1 ZINC000175701484 823023406 /nfs/dbraw/zinc/02/34/06/823023406.db2.gz NUBIZBWTYBSECI-HXUWFJFHSA-N 1 0 386.586 4.202 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2cnc(C(C)(C)C)nc2)[C@H]1c1cccs1 ZINC000175708720 823024815 /nfs/dbraw/zinc/02/48/15/823024815.db2.gz UPAYJLPLTHXYJG-PBHICJAKSA-N 1 0 387.553 4.040 20 0 GIADRO C[C@H]1CC[N@H+](Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C[C@@H]1n1ccnc1 ZINC000570318290 823025394 /nfs/dbraw/zinc/02/53/94/823025394.db2.gz FZYBPEWNMNEVOF-KXBFYZLASA-N 1 0 389.425 4.171 20 0 GIADRO [NH3+]Cc1ccc(CNC(=O)N(Cc2cccc(-c3cccnc3)c2)C2CC2)cc1 ZINC000570329344 823026283 /nfs/dbraw/zinc/02/62/83/823026283.db2.gz HAFXJLSBZVXRGL-UHFFFAOYSA-N 1 0 386.499 4.082 20 0 GIADRO CC(C)Oc1cccc([C@H](O)C[NH2+][C@@H](C)c2ncc(Br)cc2F)c1 ZINC000187217581 823026385 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ZINC000187260578 823032212 /nfs/dbraw/zinc/03/22/12/823032212.db2.gz JGCCYSXZHFIWPD-HXOBKFHXSA-N 1 0 389.499 4.178 20 0 GIADRO Cc1ccccc1[C@H](NC(=O)N1CCC(OCCC[NH+](C)C)CC1)C(C)(C)C ZINC000175759849 823033485 /nfs/dbraw/zinc/03/34/85/823033485.db2.gz GEPFUVHWNXZECA-NRFANRHFSA-N 1 0 389.584 4.225 20 0 GIADRO Cc1cccc([C@@H](NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)c2ccccn2)c1 ZINC000570408778 823034066 /nfs/dbraw/zinc/03/40/66/823034066.db2.gz JGUYUHMVMOBBBQ-LADGPHEKSA-N 1 0 385.511 4.118 20 0 GIADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCc2ccccc2COCc2ccccc2)C1 ZINC000175762628 823034082 /nfs/dbraw/zinc/03/40/82/823034082.db2.gz QAULPJCYASTUPT-GOTSBHOMSA-N 1 0 395.547 4.075 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH2+]C[C@H](C)Oc1ccccc1OC ZINC000187270436 823034208 /nfs/dbraw/zinc/03/42/08/823034208.db2.gz RVKYHZSDWGOZLI-KRWDZBQOSA-N 1 0 378.472 4.323 20 0 GIADRO Cc1cc(Br)cc(C)c1C[NH2+][C@@H](C)c1ccc2c(c1)OCC(=O)N2 ZINC000570418701 823035239 /nfs/dbraw/zinc/03/52/39/823035239.db2.gz RZHVTIQKIIBAQH-ZDUSSCGKSA-N 1 0 389.293 4.248 20 0 GIADRO CC[C@](C)([NH2+]C[C@H](O)c1ccc(F)c(Br)c1)c1nc(C)cs1 ZINC000187275006 823035463 /nfs/dbraw/zinc/03/54/63/823035463.db2.gz PTTZDZCSVSDPND-HOCLYGCPSA-N 1 0 387.318 4.302 20 0 GIADRO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2cccc(COc3ccccc3)c2C)C1 ZINC000175769051 823035625 /nfs/dbraw/zinc/03/56/25/823035625.db2.gz SEYZAPUGSKEOCN-LJQANCHMSA-N 1 0 381.520 4.427 20 0 GIADRO C[C@@H]1[C@H](NC(=O)N2CCCCC[C@H]2c2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC000570423223 823036008 /nfs/dbraw/zinc/03/60/08/823036008.db2.gz DGMRXOINMOKNKZ-PTUXOGIPSA-N 1 0 392.547 4.371 20 0 GIADRO COc1ccc(C[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)c(OC2CCCC2)c1 ZINC000187279475 823035944 /nfs/dbraw/zinc/03/59/44/823035944.db2.gz NTLNXYBHFQLDPY-UHFFFAOYSA-N 1 0 394.515 4.215 20 0 GIADRO CC(C)Cn1c(CC2CCCC2)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000570423412 823036157 /nfs/dbraw/zinc/03/61/57/823036157.db2.gz NWMZQVJOJPGYHI-CTNGQTDRSA-N 1 0 385.600 4.120 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)C(C)(C)c3cccs3)C2)s1 ZINC000570427522 823036706 /nfs/dbraw/zinc/03/67/06/823036706.db2.gz NWPWLQRYXFEBFA-MRXNPFEDSA-N 1 0 376.591 4.376 20 0 GIADRO CC(C)CC[NH+]1CCC(CNC(=O)N(Cc2ccc(O)cc2)CC2CC2)CC1 ZINC000175771809 823036875 /nfs/dbraw/zinc/03/68/75/823036875.db2.gz TTXFUCKXLRNIQZ-UHFFFAOYSA-N 1 0 387.568 4.072 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCC(=O)N2C)c1cccc(OC(F)(F)F)c1 ZINC000187288173 823037358 /nfs/dbraw/zinc/03/73/58/823037358.db2.gz LYFSXAYZJMNABK-CYBMUJFWSA-N 1 0 378.394 4.345 20 0 GIADRO C[C@H]([NH2+][C@H]1CCN(C)[C@H]1c1ccccc1)c1nnc(-c2ccccc2F)s1 ZINC000570437914 823038348 /nfs/dbraw/zinc/03/83/48/823038348.db2.gz HYEOQRJPNLPWIU-JVPBZIDWSA-N 1 0 382.508 4.440 20 0 GIADRO C[C@@H](c1ccco1)N(C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000175781216 823038838 /nfs/dbraw/zinc/03/88/38/823038838.db2.gz DFWQLOFPFDJMRD-SFHVURJKSA-N 1 0 381.520 4.427 20 0 GIADRO C[C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3F)nc2)C[C@@H]1n1ccnc1 ZINC000187299016 823039448 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397.494 4.385 20 0 GIADRO COc1ccc(-c2ccc(CNC(=O)NCCCC[N@H+](C)C3CC3)cc2)cc1 ZINC000458453360 823042571 /nfs/dbraw/zinc/04/25/71/823042571.db2.gz KLIJCXYUPBEFTR-UHFFFAOYSA-N 1 0 381.520 4.036 20 0 GIADRO CC[C@@H](NC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)c1ccncc1 ZINC000187320606 823043129 /nfs/dbraw/zinc/04/31/29/823043129.db2.gz QIOKXFNNYFYBFT-QZTJIDSGSA-N 1 0 394.441 4.154 20 0 GIADRO COc1cc(C[NH2+]CC2(CCO)CCCCC2)ccc1OCc1ccncc1 ZINC000175801147 823043491 /nfs/dbraw/zinc/04/34/91/823043491.db2.gz MVCLSWWDXLGINU-UHFFFAOYSA-N 1 0 384.520 4.092 20 0 GIADRO CC(C)[NH+](CCCNC(=O)Nc1cccc(OCc2cscn2)c1)C(C)C ZINC000175801690 823043815 /nfs/dbraw/zinc/04/38/15/823043815.db2.gz ZRRQLHSESLVJBH-UHFFFAOYSA-N 1 0 390.553 4.353 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(N3CCc4sccc4C3)cc2)CC[N@@H+]1C ZINC000175802645 823043979 /nfs/dbraw/zinc/04/39/79/823043979.db2.gz DGCAIROLAUZWSQ-OXQOHEQNSA-N 1 0 398.576 4.257 20 0 GIADRO C[C@H]([NH2+]CC(C)(C)c1c(Cl)cccc1Cl)C1CCS(=O)(=O)CC1 ZINC000187327705 823044164 /nfs/dbraw/zinc/04/41/64/823044164.db2.gz XASFSUCOHGXHHK-LBPRGKRZSA-N 1 0 378.365 4.074 20 0 GIADRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@H]1C[C@@]12CCc1ccccc12 ZINC000175803581 823044116 /nfs/dbraw/zinc/04/41/16/823044116.db2.gz MQXYYWZGHQVNTR-ZJSXRUAMSA-N 1 0 392.568 4.386 20 0 GIADRO CC(C)c1ccc(-c2noc(CCC(=O)NC[C@@H](C)[N@@H+]3CCC[C@@H](C)C3)n2)cc1 ZINC000060554815 823541754 /nfs/dbraw/zinc/54/17/54/823541754.db2.gz NEJIZNRHOARSOB-QZTJIDSGSA-N 1 0 398.551 4.029 20 0 GIADRO COc1ccc2sc(C(=O)N(CC[NH+](C)C)Cc3ccc(C)o3)c(C)c2c1 ZINC000460921363 823542763 /nfs/dbraw/zinc/54/27/63/823542763.db2.gz HEMADAKMBSAOPJ-UHFFFAOYSA-N 1 0 386.517 4.324 20 0 GIADRO Cc1c2ccccc2oc1[C@@H](C)[NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000177895441 823543101 /nfs/dbraw/zinc/54/31/01/823543101.db2.gz JYSNOFOHBQTHPM-QGZVFWFLSA-N 1 0 398.528 4.377 20 0 GIADRO CCOc1ccc(-c2nc(C[N@H+](C)C3CCC(CO)CC3)cs2)cc1OC ZINC000177903967 823544376 /nfs/dbraw/zinc/54/43/76/823544376.db2.gz YVNINYVGGUZWDU-UHFFFAOYSA-N 1 0 390.549 4.200 20 0 GIADRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc3ncccc3c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123839657 823544522 /nfs/dbraw/zinc/54/45/22/823544522.db2.gz MMQUKOLPVCBHKD-UWJYYQICSA-N 1 0 397.881 4.450 20 0 GIADRO CC[C@@H](C)Oc1cc(C[N@@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)ccc1OC ZINC000123848113 823545424 /nfs/dbraw/zinc/54/54/24/823545424.db2.gz RFJNNILQMFFQFS-IEBWSBKVSA-N 1 0 390.568 4.247 20 0 GIADRO C[C@@H](NC1CC[NH+](C(C)(C)C)CC1)c1cc2c(cc1Br)OCCO2 ZINC000177915203 823545835 /nfs/dbraw/zinc/54/58/35/823545835.db2.gz VCYUQNZCDVITCP-CYBMUJFWSA-N 1 0 397.357 4.134 20 0 GIADRO Cc1cc(C)cc([C@@H](C)[NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000177919878 823546261 /nfs/dbraw/zinc/54/62/61/823546261.db2.gz SJDRCRAFVOSUAX-HSALFYBXSA-N 1 0 380.532 4.404 20 0 GIADRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+][C@@H]3CCSc4ccccc43)cc2)C[C@H](C)O1 ZINC000177920876 823546540 /nfs/dbraw/zinc/54/65/40/823546540.db2.gz FAQWLSOWFRTVJG-LLGFUMIMSA-N 1 0 396.556 4.263 20 0 GIADRO Cc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)cc1Br ZINC000123860728 823546885 /nfs/dbraw/zinc/54/68/85/823546885.db2.gz OYGUBIJIWBNBIK-MRXNPFEDSA-N 1 0 381.358 4.132 20 0 GIADRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N(C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000460941857 823547129 /nfs/dbraw/zinc/54/71/29/823547129.db2.gz YTMAONOPFBLTFD-BBWFWOEESA-N 1 0 377.495 4.259 20 0 GIADRO C[C@H](CNC(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21)C[NH+]1CCCCC1 ZINC000060602984 823547214 /nfs/dbraw/zinc/54/72/14/823547214.db2.gz BKPGRMIRQRMGKZ-BEFAXECRSA-N 1 0 395.494 4.087 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1c(F)c(F)cc(F)c1F ZINC000177930652 823547541 /nfs/dbraw/zinc/54/75/41/823547541.db2.gz DMIXRDKMOVZZON-HNNXBMFYSA-N 1 0 394.412 4.227 20 0 GIADRO COc1cc([C@@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cc2)ccc1OC(F)F ZINC000177934259 823548078 /nfs/dbraw/zinc/54/80/78/823548078.db2.gz RSFCRKCGIFFUPP-LLVKDONJSA-N 1 0 384.810 4.239 20 0 GIADRO COCCOc1ccc([C@@H](C)[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)cc1 ZINC000177937766 823548541 /nfs/dbraw/zinc/54/85/41/823548541.db2.gz ZYYBRVLTJLZDHY-MWTRTKDXSA-N 1 0 383.488 4.285 20 0 GIADRO O[C@H](C[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1)COc1ccc(F)cc1 ZINC000060625454 823549047 /nfs/dbraw/zinc/54/90/47/823549047.db2.gz QTGCDKDNHNOSLB-QGZVFWFLSA-N 1 0 375.827 4.269 20 0 GIADRO Cc1ccc(-c2ocnc2C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)cc1 ZINC000460958454 823550616 /nfs/dbraw/zinc/55/06/16/823550616.db2.gz BOCSCHLZGCUFQX-UHFFFAOYSA-N 1 0 381.520 4.378 20 0 GIADRO Fc1ccc(-c2n[nH]cc2C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)cc1 ZINC000123908770 823550821 /nfs/dbraw/zinc/55/08/21/823550821.db2.gz DKBKNUBZYZAESC-UHFFFAOYSA-N 1 0 375.451 4.472 20 0 GIADRO O=C(C[C@@H](c1ccc(O)cc1)C1CC1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000411150905 823551963 /nfs/dbraw/zinc/55/19/63/823551963.db2.gz YGKFFZSWJMEGIQ-RTWAWAEBSA-N 1 0 382.504 4.212 20 0 GIADRO CC1(C)C[C@H](C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c2ccccc2O1 ZINC000411153574 823552267 /nfs/dbraw/zinc/55/22/67/823552267.db2.gz BSKPCQGOLDWNID-ROUUACIJSA-N 1 0 384.545 4.346 20 0 GIADRO O[C@H](c1ccc(Cl)cc1)C1CC[NH+](CC2CCC3(CC2)OCCO3)CC1 ZINC000190225891 823552678 /nfs/dbraw/zinc/55/26/78/823552678.db2.gz CVLDQSHPHHFEEW-HXUWFJFHSA-N 1 0 379.928 4.019 20 0 GIADRO CC[C@@]1(CO)CCC[N@H+](Cc2ccc(OCc3cccs3)c(OC)c2)C1 ZINC000190231422 823553489 /nfs/dbraw/zinc/55/34/89/823553489.db2.gz SNJBJPOIXZRSOY-OAQYLSRUSA-N 1 0 375.534 4.320 20 0 GIADRO C[C@@H]1CCC[C@](CNC(=O)c2ncoc2-c2ccccc2Cl)([NH+](C)C)C1 ZINC000460976443 823554266 /nfs/dbraw/zinc/55/42/66/823554266.db2.gz JGUWIMHQUOXEJQ-VLIAUNLRSA-N 1 0 375.900 4.235 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)C[N@H+]2CC[C@@H](Cc3ccc(C(C)C)cc3)C2)cc1 ZINC000460976662 823554439 /nfs/dbraw/zinc/55/44/39/823554439.db2.gz DRUJJJZSSRXREN-FQEVSTJZSA-N 1 0 393.531 4.272 20 0 GIADRO COc1ccc2cc(CN(C)C(=O)C3CC[NH+]([C@@H]4CCSC4)CC3)ccc2c1 ZINC000411180807 823555103 /nfs/dbraw/zinc/55/51/03/823555103.db2.gz SMKSIDPSRRCVMT-OAQYLSRUSA-N 1 0 398.572 4.024 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)CCC(=O)c2cc(Cl)sc2Cl)cc1 ZINC000123959722 823555389 /nfs/dbraw/zinc/55/53/89/823555389.db2.gz UIUSYQHUHHIMJD-UHFFFAOYSA-N 1 0 399.343 4.396 20 0 GIADRO CSc1ccc(OC[C@@H](O)C[NH+]2CCC(C(=O)c3ccc(C)cc3)CC2)cc1 ZINC000411186356 823555417 /nfs/dbraw/zinc/55/54/17/823555417.db2.gz NTKVRYMOWDQUHF-FQEVSTJZSA-N 1 0 399.556 4.052 20 0 GIADRO Brc1cc(C[NH2+]CCc2nc(-c3ccccn3)cs2)cs1 ZINC000123959377 823555519 /nfs/dbraw/zinc/55/55/19/823555519.db2.gz CZMWFLBVDRSYQD-UHFFFAOYSA-N 1 0 380.336 4.361 20 0 GIADRO COc1cc(C)c(CN(C)C(=O)c2cccc(C[NH+]3CCCCC3)c2)cc1OC ZINC000411188914 823555639 /nfs/dbraw/zinc/55/56/39/823555639.db2.gz GZQZXJGIPHWRAP-UHFFFAOYSA-N 1 0 396.531 4.270 20 0 GIADRO Cc1cccc(-c2n[nH]cc2C[NH2+]CCc2nc(-c3ccccn3)cs2)c1 ZINC000123962887 823555840 /nfs/dbraw/zinc/55/58/40/823555840.db2.gz TXBMJJHHKWULRQ-UHFFFAOYSA-N 1 0 375.501 4.236 20 0 GIADRO Cc1cc(C[NH2+]C[C@H](O)c2c(F)cccc2F)cc(C)c1OCc1ccccn1 ZINC000123963726 823555903 /nfs/dbraw/zinc/55/59/03/823555903.db2.gz JHWFDMAZBCYJCQ-NRFANRHFSA-N 1 0 398.453 4.379 20 0 GIADRO Fc1ccc(-c2n[nH]cc2C[NH2+]CCc2nc(-c3ccccn3)cs2)cc1 ZINC000123966124 823556108 /nfs/dbraw/zinc/55/61/08/823556108.db2.gz GOCLRETZCSXVDE-UHFFFAOYSA-N 1 0 379.464 4.067 20 0 GIADRO Cc1cc(C)c(Br)c(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1 ZINC000460998986 823557122 /nfs/dbraw/zinc/55/71/22/823557122.db2.gz HTBRDBUKYDISKU-CVEARBPZSA-N 1 0 379.342 4.153 20 0 GIADRO CC[NH+](CC)C[C@@H](C)NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1 ZINC000460999657 823557176 /nfs/dbraw/zinc/55/71/76/823557176.db2.gz IZFSGAULCYVUNW-GFCCVEGCSA-N 1 0 397.306 4.036 20 0 GIADRO CC[NH+](CC)C[C@H](C)NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1 ZINC000460999658 823557279 /nfs/dbraw/zinc/55/72/79/823557279.db2.gz IZFSGAULCYVUNW-LBPRGKRZSA-N 1 0 397.306 4.036 20 0 GIADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)C1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC000461003167 823557770 /nfs/dbraw/zinc/55/77/70/823557770.db2.gz VGTFGNRGQBDKES-MRXNPFEDSA-N 1 0 382.470 4.460 20 0 GIADRO O=C(c1cccc(C[NH+]2CCCCC2)c1)N1CCC(OCc2ccccc2)CC1 ZINC000411214318 823557925 /nfs/dbraw/zinc/55/79/25/823557925.db2.gz ONFWSSNBNWZYAW-UHFFFAOYSA-N 1 0 392.543 4.494 20 0 GIADRO Cc1cc(NC(=O)C(=O)N[C@H](C)c2cc3ccccc3s2)ccc1C[NH+](C)C ZINC000411216155 823557947 /nfs/dbraw/zinc/55/79/47/823557947.db2.gz SVVADQMAUMCWLN-OAHLLOKOSA-N 1 0 395.528 4.087 20 0 GIADRO C[C@@H](CNC(=O)c1ccc2nc(Cl)ccc2c1)[N@@H+]1CCc2ccccc2C1 ZINC000060792945 823558003 /nfs/dbraw/zinc/55/80/03/823558003.db2.gz VTUIBJKSYUNCIF-HNNXBMFYSA-N 1 0 379.891 4.065 20 0 GIADRO Cc1cc(C)c(Br)c(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)c1 ZINC000461012306 823558875 /nfs/dbraw/zinc/55/88/75/823558875.db2.gz ATNVKWJNPADQCR-INIZCTEOSA-N 1 0 379.342 4.060 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)cnn1-c1ccc(F)cc1 ZINC000124005683 823559240 /nfs/dbraw/zinc/55/92/40/823559240.db2.gz FTCKVNWKXVZMRM-KXBFYZLASA-N 1 0 392.478 4.055 20 0 GIADRO CC(C)CCOc1ccc(C[NH2+]C[C@H](c2cccs2)N2CCOCC2)cc1 ZINC000060817431 823559466 /nfs/dbraw/zinc/55/94/66/823559466.db2.gz IJHVDHRAVCJDTD-OAQYLSRUSA-N 1 0 388.577 4.336 20 0 GIADRO COc1ccc(-c2n[nH]cc2C[NH2+]Cc2cc(Br)ccc2C)cc1 ZINC000190295321 823559993 /nfs/dbraw/zinc/55/99/93/823559993.db2.gz WWSFRSKQWCXANN-UHFFFAOYSA-N 1 0 386.293 4.446 20 0 GIADRO CC(C)C(=O)Nc1ccc(CNC(=O)c2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000411247644 823560378 /nfs/dbraw/zinc/56/03/78/823560378.db2.gz RBQVMILLLGXLRZ-UHFFFAOYSA-N 1 0 393.531 4.197 20 0 GIADRO CC(C)c1noc2nc(-c3ccco3)cc(C(=O)N[C@H](C)C[N@H+](C)C(C)C)c21 ZINC000461024254 823560904 /nfs/dbraw/zinc/56/09/04/823560904.db2.gz BFRKVPQRPCCUIV-CQSZACIVSA-N 1 0 384.480 4.065 20 0 GIADRO CC[N@@H+](Cc1ccc2c(c1)OCO2)C[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1 ZINC000060845865 823561636 /nfs/dbraw/zinc/56/16/36/823561636.db2.gz ZIIBUEVLCANYAH-KXBFYZLASA-N 1 0 391.895 4.029 20 0 GIADRO CC(C)NC(=O)Nc1ccc(NC(=O)c2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000411275676 823561747 /nfs/dbraw/zinc/56/17/47/823561747.db2.gz KPVMITADVOTLGB-UHFFFAOYSA-N 1 0 394.519 4.455 20 0 GIADRO COCCOc1ccc(CN[C@@H](C)c2nc(-c3ccncc3)cs2)cc1OC ZINC000124045977 823562738 /nfs/dbraw/zinc/56/27/38/823562738.db2.gz KZQSTVOCFRJGHI-HNNXBMFYSA-N 1 0 399.516 4.090 20 0 GIADRO Cc1ccc(-c2csc3ncnc(Nc4cnn(CC[NH+](C)C)c4)c23)cc1 ZINC000060864530 823563276 /nfs/dbraw/zinc/56/32/76/823563276.db2.gz GBKIGPKEDRTZPP-UHFFFAOYSA-N 1 0 378.505 4.168 20 0 GIADRO CCCc1cc(NCc2cccc(C[NH+]3CCCCCC3)c2)n2ncnc2n1 ZINC000060862763 823563280 /nfs/dbraw/zinc/56/32/80/823563280.db2.gz VVAUKUBLPKZMDN-UHFFFAOYSA-N 1 0 378.524 4.065 20 0 GIADRO CC(=O)c1c(C)[nH]c(C(=O)CN(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1C ZINC000411304186 823563618 /nfs/dbraw/zinc/56/36/18/823563618.db2.gz BNXDRXYLRRUWAO-IIBYNOLFSA-N 1 0 395.547 4.002 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)C2CC[NH+](Cc3ccc([C@H]4C[C@H]4C)o3)CC2)c1 ZINC000124054961 823563646 /nfs/dbraw/zinc/56/36/46/823563646.db2.gz YHBISCSLXVYQIQ-VFNWGFHPSA-N 1 0 395.503 4.212 20 0 GIADRO CCOCC[N@@H+]1CCN(C(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)C[C@@H]1CC ZINC000461039608 823563726 /nfs/dbraw/zinc/56/37/26/823563726.db2.gz XHUXKXIIWXNZMY-IPMKNSEASA-N 1 0 399.362 4.056 20 0 GIADRO CC1CC[NH+](C2CCC(NC(=O)NC[C@@H]3CCO[C@H]3c3ccccc3)CC2)CC1 ZINC000190333997 823564112 /nfs/dbraw/zinc/56/41/12/823564112.db2.gz OXKWJHYJXCAXAH-SBOSXTITSA-N 1 0 399.579 4.107 20 0 GIADRO COc1cc2c(c(OC)c1OC)CC[N@H+](Cc1cnc3ccc(C)cc3c1)CC2 ZINC000411320644 823564516 /nfs/dbraw/zinc/56/45/16/823564516.db2.gz GRLPRBADISIFNM-UHFFFAOYSA-N 1 0 392.499 4.170 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+][C@@H](CO)Cc1c[nH]c2ccccc12 ZINC000124068280 823564811 /nfs/dbraw/zinc/56/48/11/823564811.db2.gz NONOUMPBLOVKJD-KBXCAEBGSA-N 1 0 392.528 4.249 20 0 GIADRO COc1cc(NC(=O)C[N@@H+]2CCC[C@@H]2CC2CCCCC2)cc(OC)c1OC ZINC000060892843 823565100 /nfs/dbraw/zinc/56/51/00/823565100.db2.gz RMBDBIKAWLRAQO-GOSISDBHSA-N 1 0 390.524 4.086 20 0 GIADRO COc1cc(C(C)=O)ccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]1CC1CCCCC1 ZINC000060892790 823565110 /nfs/dbraw/zinc/56/51/10/823565110.db2.gz GZLWCMGZFBPUGW-NHCUHLMSSA-N 1 0 389.536 4.072 20 0 GIADRO COc1ccc(CNC(=O)NCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)cc1 ZINC000060909902 823565900 /nfs/dbraw/zinc/56/59/00/823565900.db2.gz MLOYZNFEQUZNNO-OALUTQOASA-N 1 0 395.547 4.173 20 0 GIADRO O=C(Nc1ccccc1)NC1CC[NH+](Cc2ccc(-c3ncco3)cc2F)CC1 ZINC000411357699 823566132 /nfs/dbraw/zinc/56/61/32/823566132.db2.gz VPFBGSCUYQCQTD-UHFFFAOYSA-N 1 0 394.450 4.267 20 0 GIADRO CCCCC[C@H](C)NC(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000060918093 823566575 /nfs/dbraw/zinc/56/65/75/823566575.db2.gz QVKIJIIZJGKIOV-IPMKNSEASA-N 1 0 375.557 4.064 20 0 GIADRO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H]1CCCc2c(O)cccc21 ZINC000190367046 823566828 /nfs/dbraw/zinc/56/68/28/823566828.db2.gz LGWLJJZOUYOMQD-MNRDOXJOSA-N 1 0 390.527 4.124 20 0 GIADRO CCOc1c(Cl)cccc1CC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000190366998 823566850 /nfs/dbraw/zinc/56/68/50/823566850.db2.gz XVNMXYXVGBOBKD-UHFFFAOYSA-N 1 0 386.923 4.062 20 0 GIADRO CCOC(=O)c1c2c(sc1NC(=O)C[C@@H]1C=CCC1)C(C)(C)[NH2+]C(C)(C)C2 ZINC000060944445 823568502 /nfs/dbraw/zinc/56/85/02/823568502.db2.gz DXKPOMBWLXFKDM-CYBMUJFWSA-N 1 0 390.549 4.379 20 0 GIADRO OCc1ccc(C[NH2+][C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)cc1 ZINC000124114932 823568758 /nfs/dbraw/zinc/56/87/58/823568758.db2.gz NLVVHUWSTKFRJB-QFIPXVFZSA-N 1 0 375.447 4.199 20 0 GIADRO COc1cc(C[NH2+]CCc2cc(C)c(O)c(C)c2)ccc1OCc1ccncc1 ZINC000190393366 823569018 /nfs/dbraw/zinc/56/90/18/823569018.db2.gz BTNRQZGYHGIJCG-UHFFFAOYSA-N 1 0 392.499 4.324 20 0 GIADRO Fc1cc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)ccc1OC(F)F ZINC000124118253 823569130 /nfs/dbraw/zinc/56/91/30/823569130.db2.gz ITPKEVZUPUJGQO-OAHLLOKOSA-N 1 0 394.441 4.125 20 0 GIADRO CCCOc1ccc([C@@H](C)NC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1OC ZINC000060954565 823569127 /nfs/dbraw/zinc/56/91/27/823569127.db2.gz MAEWCXOWQZAUIM-XLIONFOSSA-N 1 0 399.535 4.147 20 0 GIADRO CC(C)(C)[NH+]1CCC(NC(=O)c2cc3ccccc3cc2OC(F)F)CC1 ZINC000124118589 823569297 /nfs/dbraw/zinc/56/92/97/823569297.db2.gz RSUFVHPRTLWGAN-UHFFFAOYSA-N 1 0 376.447 4.434 20 0 GIADRO CSc1ccc(OC[C@@H](O)C[NH+]2CCC(Nc3cccc(C)c3)CC2)cc1 ZINC000411396020 823569881 /nfs/dbraw/zinc/56/98/81/823569881.db2.gz WOLLQRPKNVVLGS-FQEVSTJZSA-N 1 0 386.561 4.033 20 0 GIADRO Cc1c(C[NH2+]C[C@H](Cc2ccccc2)C(C)C)c(=O)n(-c2ccccc2)n1C ZINC000190414274 823570584 /nfs/dbraw/zinc/57/05/84/823570584.db2.gz FATCESKADDRGMJ-NRFANRHFSA-N 1 0 377.532 4.089 20 0 GIADRO Cc1cn2c(CN(C)C(=O)c3cccc(C[NH+]4CCCCC4)c3)c(C)nc2s1 ZINC000411406801 823570818 /nfs/dbraw/zinc/57/08/18/823570818.db2.gz GOXMBLNQXDOIHH-UHFFFAOYSA-N 1 0 396.560 4.271 20 0 GIADRO Cc1ccc2[nH]c([C@H]3CCC[N@H+](CCC(=O)Nc4ccccc4F)C3)nc2c1 ZINC000411411946 823571201 /nfs/dbraw/zinc/57/12/01/823571201.db2.gz HBQPKPAWOPQUQM-INIZCTEOSA-N 1 0 380.467 4.219 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)cc1OCC ZINC000124140075 823571189 /nfs/dbraw/zinc/57/11/89/823571189.db2.gz JCQDQJTZHBZXCF-APWZRJJASA-N 1 0 382.504 4.220 20 0 GIADRO Cc1cccc(C)c1NCC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000461076595 823571247 /nfs/dbraw/zinc/57/12/47/823571247.db2.gz PFZQIYIEQHACQB-IFMALSPDSA-N 1 0 379.548 4.227 20 0 GIADRO CC1(C)Cc2cccc(C[N@@H+]3CCC[C@@H](c4nnc5n4CCCCC5)C3)c2O1 ZINC000124141296 823571276 /nfs/dbraw/zinc/57/12/76/823571276.db2.gz CPTYAPAPQOKRGY-LJQANCHMSA-N 1 0 380.536 4.098 20 0 GIADRO Cc1ccc([C@@H]([NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)C2CCCC2)o1 ZINC000461079993 823572048 /nfs/dbraw/zinc/57/20/48/823572048.db2.gz HZBLDDWURUTJIN-NRFANRHFSA-N 1 0 388.533 4.149 20 0 GIADRO COc1ccc([C@@H](Cc2ccccc2)NC(=O)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000461081452 823572531 /nfs/dbraw/zinc/57/25/31/823572531.db2.gz LWNQKNCMNPKAHB-JTHBVZDNSA-N 1 0 380.532 4.360 20 0 GIADRO C[C@H](c1cccnc1)[N@H+](C)CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000411424001 823572509 /nfs/dbraw/zinc/57/25/09/823572509.db2.gz PJFXVQQKXUCCDG-VGSWGCGISA-N 1 0 379.529 4.432 20 0 GIADRO C[C@@H]1CN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000411423729 823572568 /nfs/dbraw/zinc/57/25/68/823572568.db2.gz YLQZAIMASBEDDV-YGOYIFOWSA-N 1 0 397.994 4.387 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)NCc1cc(F)cc(F)c1 ZINC000061011630 823572623 /nfs/dbraw/zinc/57/26/23/823572623.db2.gz UYSMUIQPYWMWHJ-UHFFFAOYSA-N 1 0 387.474 4.340 20 0 GIADRO Cc1nn(Cc2ccccc2)c(Cl)c1CNC[C@H](Cc1ccccc1)[NH+](C)C ZINC000061015022 823572917 /nfs/dbraw/zinc/57/29/17/823572917.db2.gz OJMYUCWGPNVVSE-NRFANRHFSA-N 1 0 396.966 4.156 20 0 GIADRO CCOc1ccc([C@@H]([NH2+]C[C@]2(OC)CCOC2)c2ccccc2Cl)cc1 ZINC000461084841 823573236 /nfs/dbraw/zinc/57/32/36/823573236.db2.gz JIJPUEAUCPAFNM-NHCUHLMSSA-N 1 0 375.896 4.223 20 0 GIADRO CCOc1cccc(C[NH2+]Cc2ccc(OCc3ccncc3)c(OC)c2)c1 ZINC000061018552 823573438 /nfs/dbraw/zinc/57/34/38/823573438.db2.gz KBGFTCQWZKYSIU-UHFFFAOYSA-N 1 0 378.472 4.358 20 0 GIADRO CC[C@H](NC(=O)NCC1([NH+](C)C)CCCCC1)c1ccccc1OC(F)F ZINC000061020665 823573623 /nfs/dbraw/zinc/57/36/23/823573623.db2.gz GCJZFKQMLSWZQB-INIZCTEOSA-N 1 0 383.483 4.303 20 0 GIADRO CCSc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)cc1 ZINC000461086337 823573843 /nfs/dbraw/zinc/57/38/43/823573843.db2.gz XFENSVRQTYXPES-INIZCTEOSA-N 1 0 390.574 4.189 20 0 GIADRO CC(C)[C@@H]([NH2+]Cc1ccc(Br)cn1)c1ccc2c(c1)OCCO2 ZINC000411436285 823573987 /nfs/dbraw/zinc/57/39/87/823573987.db2.gz GYBDUYCCRPXXAB-GOSISDBHSA-N 1 0 377.282 4.102 20 0 GIADRO COc1cc(Br)ccc1[C@H](C)[NH2+]C[C@H](O)c1ccc(F)c(F)c1 ZINC000190439673 823574076 /nfs/dbraw/zinc/57/40/76/823574076.db2.gz WTRPYGFFVZXQKS-QFYYESIMSA-N 1 0 386.236 4.120 20 0 GIADRO Cc1c(C[N@@H+]2CCC[C@@H]2c2cccc(Cl)c2)c(=O)n(-c2ccccc2)n1C ZINC000124168568 823574135 /nfs/dbraw/zinc/57/41/35/823574135.db2.gz YCOVCRITZCGWRJ-OAQYLSRUSA-N 1 0 381.907 4.475 20 0 GIADRO CC[NH2+]Cc1ccccc1NC(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000124170237 823574159 /nfs/dbraw/zinc/57/41/59/823574159.db2.gz DQLYONCJUMRJDB-HZPDHXFCSA-N 1 0 378.394 4.437 20 0 GIADRO C[N@@H+]1CCCC12CCN(CCC(=O)Nc1ccccc1-c1ccccc1)CC2 ZINC000411438959 823574231 /nfs/dbraw/zinc/57/42/31/823574231.db2.gz DDLBNDRGRSPAQP-UHFFFAOYSA-N 1 0 377.532 4.242 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]2CCCc3c(O)cccc32)CC1 ZINC000190441457 823574516 /nfs/dbraw/zinc/57/45/16/823574516.db2.gz QRGMZRGDGKRNMW-VGOFRKELSA-N 1 0 378.516 4.154 20 0 GIADRO O=C(CC1CC[NH+](CCOc2ccc(Cl)cc2Cl)CC1)N1CCCC1 ZINC000061049503 823575405 /nfs/dbraw/zinc/57/54/05/823575405.db2.gz UCOXMRNHDLQVDW-UHFFFAOYSA-N 1 0 385.335 4.097 20 0 GIADRO O=C(Nc1cccc(C(F)(F)F)n1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000124185081 823575447 /nfs/dbraw/zinc/57/54/47/823575447.db2.gz KQJILFPDPSVUBN-HNNXBMFYSA-N 1 0 384.446 4.220 20 0 GIADRO CC(C)(C)CNC(=O)C(C)(C)[NH2+]CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000411449786 823575778 /nfs/dbraw/zinc/57/57/78/823575778.db2.gz XSLARIWNQUWQGJ-UHFFFAOYSA-N 1 0 395.547 4.213 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@H](C)C(=O)N(C)c2ccccc2)cnn1-c1ccc(F)cc1 ZINC000411451391 823576034 /nfs/dbraw/zinc/57/60/34/823576034.db2.gz HMSXFDQXESUTAQ-JKSUJKDBSA-N 1 0 380.467 4.022 20 0 GIADRO C[C@H]([NH2+]CCC(=O)Nc1c(Cl)cccc1Cl)c1ccc2c(c1)OCO2 ZINC000411451322 823576044 /nfs/dbraw/zinc/57/60/44/823576044.db2.gz GDBXRALPUUUHCM-NSHDSACASA-N 1 0 381.259 4.402 20 0 GIADRO CC[NH+](CC)CCN(C(=O)c1cncc(F)c1)c1cccc(C(F)(F)F)c1 ZINC000461096732 823576263 /nfs/dbraw/zinc/57/62/63/823576263.db2.gz VIGNYGYGNVEOFI-UHFFFAOYSA-N 1 0 383.389 4.228 20 0 GIADRO C[C@H]([NH2+]CCc1nc2ccccc2c(=O)[nH]1)c1ccc(OC(F)(F)F)cc1 ZINC000411452159 823576277 /nfs/dbraw/zinc/57/62/77/823576277.db2.gz VYWIMGCBKKWTJN-LBPRGKRZSA-N 1 0 377.366 4.127 20 0 GIADRO COc1ccc(NC(=O)CC[NH2+][C@H](c2ccccc2)[C@@H]2CCOC2)cc1Cl ZINC000411455098 823576596 /nfs/dbraw/zinc/57/65/96/823576596.db2.gz DPWLMSGORIPJQX-IIBYNOLFSA-N 1 0 388.895 4.045 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000411456611 823576864 /nfs/dbraw/zinc/57/68/64/823576864.db2.gz GROJVCFHLADXJX-IIBYNOLFSA-N 1 0 388.895 4.045 20 0 GIADRO O=C(CC[NH2+][C@H](c1ccccc1)[C@@H]1CCOC1)Nc1ccccc1C(F)(F)F ZINC000411457976 823577024 /nfs/dbraw/zinc/57/70/24/823577024.db2.gz IKSVBOUPJLYNKR-OXQOHEQNSA-N 1 0 392.421 4.401 20 0 GIADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCc2nc3cc(Cl)ccc3s2)C[C@H]1C ZINC000461100758 823577284 /nfs/dbraw/zinc/57/72/84/823577284.db2.gz RHMKZAYZGMXOMT-VHDGCEQUSA-N 1 0 380.941 4.450 20 0 GIADRO Cc1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@@H](CCO)C2CCOCC2)CCC3)cc1 ZINC000461101134 823577489 /nfs/dbraw/zinc/57/74/89/823577489.db2.gz CSTZFEOEASRTOL-OALUTQOASA-N 1 0 386.561 4.263 20 0 GIADRO CC(=O)c1c(C)[nH]c(C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)c1C(C)C ZINC000124223861 823578906 /nfs/dbraw/zinc/57/89/06/823578906.db2.gz CNBTWLFJERSWMN-UHFFFAOYSA-N 1 0 395.547 4.352 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)C[C@H](c2ccc(O)cc2)C2CC2)CC1 ZINC000411473086 823578923 /nfs/dbraw/zinc/57/89/23/823578923.db2.gz IWWLYUNDABTVNY-DEOSSOPVSA-N 1 0 392.543 4.365 20 0 GIADRO CCOc1ccccc1NC(=O)CC[NH2+][C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000411473841 823578940 /nfs/dbraw/zinc/57/89/40/823578940.db2.gz KRVLPPVRSJAFSR-QGZVFWFLSA-N 1 0 392.503 4.259 20 0 GIADRO Cc1nn(Cc2ccccc2)c2sc(C(=O)N(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)cc12 ZINC000124228814 823579296 /nfs/dbraw/zinc/57/92/96/823579296.db2.gz PSKROWSQYMBUTG-CRAIPNDOSA-N 1 0 396.560 4.009 20 0 GIADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2NC(=O)c2ccsc2)C1 ZINC000124231269 823579386 /nfs/dbraw/zinc/57/93/86/823579386.db2.gz SQQVTIBJIVXPGU-KRWDZBQOSA-N 1 0 399.560 4.098 20 0 GIADRO Cc1c2cc(Br)ccc2oc1C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000124230832 823579447 /nfs/dbraw/zinc/57/94/47/823579447.db2.gz ZKMSUCZLBGVVPS-BXUZGUMPSA-N 1 0 379.298 4.058 20 0 GIADRO C[C@H]([NH2+]CCc1nc2ccccc2c(=O)[nH]1)c1ccc(OCC2CC2)c(F)c1 ZINC000411478077 823579492 /nfs/dbraw/zinc/57/94/92/823579492.db2.gz TWBAYRZIZRWYPR-AWEZNQCLSA-N 1 0 381.451 4.157 20 0 GIADRO Cc1c(C[N@@H+]2CCC[C@@H]2c2ccccc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000124231658 823579577 /nfs/dbraw/zinc/57/95/77/823579577.db2.gz VVFWVYOQVBRHBC-OAQYLSRUSA-N 1 0 381.907 4.475 20 0 GIADRO COc1ccc(NC(=O)CC[NH2+][C@H](c2nc(C)cs2)C2CC2)cc1Cl ZINC000411481126 823579778 /nfs/dbraw/zinc/57/97/78/823579778.db2.gz PZORHKLGAFMTBE-KRWDZBQOSA-N 1 0 379.913 4.183 20 0 GIADRO CO[C@]1(C[NH2+][C@H]2CCCc3nc(-c4ccc(Cl)cc4)sc32)CCOC1 ZINC000461113214 823579887 /nfs/dbraw/zinc/57/98/87/823579887.db2.gz WNKFUJJHSSSAFV-KXBFYZLASA-N 1 0 378.925 4.236 20 0 GIADRO O=C(CC[NH2+][C@H](Cc1ccccc1)C1CC1)Nc1ccccc1Br ZINC000411480332 823579893 /nfs/dbraw/zinc/57/98/93/823579893.db2.gz OFPHAJJOYWLNEQ-LJQANCHMSA-N 1 0 387.321 4.389 20 0 GIADRO COc1ccc(CNC(=O)C[NH2+][C@H]2CCCSc3ccc(Cl)cc32)cc1 ZINC000461113143 823579939 /nfs/dbraw/zinc/57/99/39/823579939.db2.gz VQWNFZZPUDKVJG-SFHVURJKSA-N 1 0 390.936 4.182 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)CC[N@@H+]1C ZINC000124239972 823580153 /nfs/dbraw/zinc/58/01/53/823580153.db2.gz RKYVLGFVEIJRDG-RXVVDRJESA-N 1 0 388.515 4.094 20 0 GIADRO CC[C@H]([NH2+]CCC(=O)N[C@H](c1cccs1)c1ccccc1)C1CCOCC1 ZINC000411484418 823580373 /nfs/dbraw/zinc/58/03/73/823580373.db2.gz XYWNLVXRTWQSIJ-UGKGYDQZSA-N 1 0 386.561 4.139 20 0 GIADRO C[C@H]([NH2+]CCC(=O)Nc1c(Cl)cccc1Cl)c1ccc([S@](C)=O)cc1 ZINC000411486886 823580591 /nfs/dbraw/zinc/58/05/91/823580591.db2.gz USNZZEGCKOTYPS-VDBVYFBLSA-N 1 0 399.343 4.410 20 0 GIADRO CCc1cnccc1[C@@H](C)[NH2+]CCC(=O)Nc1cccc(Br)c1 ZINC000411499138 823581727 /nfs/dbraw/zinc/58/17/27/823581727.db2.gz CQRBFXDKXLBWNG-CYBMUJFWSA-N 1 0 376.298 4.086 20 0 GIADRO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C[N@@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000411498741 823581731 /nfs/dbraw/zinc/58/17/31/823581731.db2.gz BQLJNEFUQNSHGR-BPUTZDHNSA-N 1 0 382.451 4.340 20 0 GIADRO CCc1cc(N2CCC(C(=O)NCCc3cccs3)CC2)c2ccccc2[nH+]1 ZINC000124260999 823581835 /nfs/dbraw/zinc/58/18/35/823581835.db2.gz XVBVFHJAMNTNQQ-UHFFFAOYSA-N 1 0 393.556 4.434 20 0 GIADRO C[C@H]([NH2+]Cc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)[C@@H](C)C1CCCCC1 ZINC000411512989 823582868 /nfs/dbraw/zinc/58/28/68/823582868.db2.gz BZJJNQNXPMOAAY-CVEARBPZSA-N 1 0 379.508 4.216 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Nc1ccnn1C(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC000190518109 823582943 /nfs/dbraw/zinc/58/29/43/823582943.db2.gz XHCTWIXWIAHOIC-HNNXBMFYSA-N 1 0 397.445 4.081 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]CC(=O)N(C)Cc1ccco1 ZINC000411519034 823583801 /nfs/dbraw/zinc/58/38/01/823583801.db2.gz KTSGVELRXIZJMM-CYBMUJFWSA-N 1 0 387.480 4.160 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]CC(=O)N1CCCC[C@H]1C ZINC000411522823 823584518 /nfs/dbraw/zinc/58/45/18/823584518.db2.gz XGEJKLUSAIPGRQ-ZIAGYGMSSA-N 1 0 375.513 4.309 20 0 GIADRO Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)CC2CCCCC2)C1 ZINC000190539857 823584631 /nfs/dbraw/zinc/58/46/31/823584631.db2.gz KKNXFNJFJLSRHJ-LPHOPBHVSA-N 1 0 377.598 4.338 20 0 GIADRO C[C@H](c1nnc(SCC[C@H]2CCC[N@@H+]2C)n1-c1ccc(Cl)cc1)N(C)C ZINC000124294643 823584751 /nfs/dbraw/zinc/58/47/51/823584751.db2.gz ICQKYULUWMVAOJ-GDBMZVCRSA-N 1 0 393.988 4.120 20 0 GIADRO C[C@@H](c1nnc(SCC[C@H]2CCC[N@@H+]2C)n1-c1ccc(Cl)cc1)N(C)C ZINC000124294447 823584828 /nfs/dbraw/zinc/58/48/28/823584828.db2.gz ICQKYULUWMVAOJ-GOEBONIOSA-N 1 0 393.988 4.120 20 0 GIADRO COCC[C@@H]([NH2+]CCC(=O)Nc1cccc(Br)c1)c1ccc(C)o1 ZINC000411526691 823584932 /nfs/dbraw/zinc/58/49/32/823584932.db2.gz DXATXZSTORIGIY-MRXNPFEDSA-N 1 0 395.297 4.047 20 0 GIADRO Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000124297927 823585145 /nfs/dbraw/zinc/58/51/45/823585145.db2.gz ONLCNQHVCROETK-IRXDYDNUSA-N 1 0 380.602 4.398 20 0 GIADRO CCOc1ccccc1NC(=O)CC[NH2+][C@H](C)c1cnn(Cc2ccccc2)c1 ZINC000411535254 823585816 /nfs/dbraw/zinc/58/58/16/823585816.db2.gz FPOCSVSVGXKQNA-GOSISDBHSA-N 1 0 392.503 4.010 20 0 GIADRO C[C@@H]1C[N@@H+](C2CCN(C(=O)Nc3ccccc3-c3ccccc3)CC2)CCO1 ZINC000124317266 823586724 /nfs/dbraw/zinc/58/67/24/823586724.db2.gz OSPGOXYRWQCBLI-GOSISDBHSA-N 1 0 379.504 4.071 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)c2ccc3c(c2)NC(=O)CCS3)cc1 ZINC000190572220 823587381 /nfs/dbraw/zinc/58/73/81/823587381.db2.gz ZKIMSQKRRVOBRV-UHFFFAOYSA-N 1 0 383.517 4.215 20 0 GIADRO CCC[N@H+](CCc1cccs1)[C@H](C)C(=O)Nc1ccc(OC)cc1OC ZINC000411556215 823587742 /nfs/dbraw/zinc/58/77/42/823587742.db2.gz UBBXOUUXGZDQJU-OAHLLOKOSA-N 1 0 376.522 4.047 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](O)c2ccc(F)cc2)cc1Br ZINC000124339770 823588627 /nfs/dbraw/zinc/58/86/27/823588627.db2.gz GDHRQCWICFUEPR-PZROIBLQSA-N 1 0 382.273 4.370 20 0 GIADRO COc1ccc([C@H](C)[NH2+]C2CCN(c3ccccn3)CC2)cc1Br ZINC000124342531 823588725 /nfs/dbraw/zinc/58/87/25/823588725.db2.gz HQIQLGFPPDSFSO-AWEZNQCLSA-N 1 0 390.325 4.172 20 0 GIADRO FC(F)(F)CN1CC[C@@H](C[NH2+][C@H](c2ccc(Br)s2)C2CC2)C1 ZINC000190588740 823588731 /nfs/dbraw/zinc/58/87/31/823588731.db2.gz JZYKGNDTLXRPNO-HZMBPMFUSA-N 1 0 397.304 4.436 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C[C@H](c2ccc(O)cc2)C2CC2)C1 ZINC000411585477 823589419 /nfs/dbraw/zinc/58/94/19/823589419.db2.gz HGKXJMOSYBRHQO-OAOOKAIFSA-N 1 0 378.516 4.228 20 0 GIADRO Cc1ccccc1C1(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)CCCCC1 ZINC000124353396 823589495 /nfs/dbraw/zinc/58/94/95/823589495.db2.gz RBBFGXFFDZDCSN-UHFFFAOYSA-N 1 0 391.559 4.373 20 0 GIADRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)CCOc1cccc(F)c1 ZINC000061307816 823590769 /nfs/dbraw/zinc/59/07/69/823590769.db2.gz QHFOSQVLJFOINX-UHFFFAOYSA-N 1 0 388.508 4.091 20 0 GIADRO CC(=O)Nc1cccc(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)c1C ZINC000190607943 823590925 /nfs/dbraw/zinc/59/09/25/823590925.db2.gz FTOLWYHCNRJGMX-KRWDZBQOSA-N 1 0 393.531 4.258 20 0 GIADRO CC(=O)Nc1cccc(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)c1C ZINC000190607381 823590947 /nfs/dbraw/zinc/59/09/47/823590947.db2.gz JMEDBKZCLWZFME-KRWDZBQOSA-N 1 0 393.531 4.115 20 0 GIADRO O=C(C1CCCC1)N1CC[C@@H]([NH2+][C@H](c2ccc(Br)s2)C2CC2)C1 ZINC000190616080 823592133 /nfs/dbraw/zinc/59/21/33/823592133.db2.gz NZJUQSDHZIXHEN-PBHICJAKSA-N 1 0 397.382 4.342 20 0 GIADRO COCC[N@H+](Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1)[C@H]1CCC[C@@H]1C ZINC000411625279 823592216 /nfs/dbraw/zinc/59/22/16/823592216.db2.gz LCXCYKMKSXXJOV-ZFWWWQNUSA-N 1 0 387.505 4.294 20 0 GIADRO CCOC(=O)c1cccc(NC(=O)NC[C@@H](c2ccsc2)[NH+](CC)CC)c1 ZINC000061350823 823592868 /nfs/dbraw/zinc/59/28/68/823592868.db2.gz NUFZSLMSDNKDMQ-SFHVURJKSA-N 1 0 389.521 4.129 20 0 GIADRO C[C@@H]([NH2+]C1CCN(Cc2ccccc2Cl)CC1)[C@H](O)c1ccc(F)cc1 ZINC000124394957 823592989 /nfs/dbraw/zinc/59/29/89/823592989.db2.gz KDVVKBUWECOIKP-VFNWGFHPSA-N 1 0 376.903 4.155 20 0 GIADRO O=C(CC[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)Nc1ccccc1F ZINC000411643472 823593185 /nfs/dbraw/zinc/59/31/85/823593185.db2.gz JEOWIDRDVNEWKP-IEBWSBKVSA-N 1 0 380.822 4.067 20 0 GIADRO O=C(CC[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1)NCc1ccccc1Cl ZINC000411646537 823593689 /nfs/dbraw/zinc/59/36/89/823593689.db2.gz MHIFTXQASLKGBH-ICSRJNTNSA-N 1 0 393.314 4.120 20 0 GIADRO Fc1cc([C@@H]2OCC[C@@H]2[NH2+]Cc2ccc(Br)cn2)ccc1Cl ZINC000411649947 823594029 /nfs/dbraw/zinc/59/40/29/823594029.db2.gz QECZPRBUWGYCMR-HOTGVXAUSA-N 1 0 385.664 4.256 20 0 GIADRO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000124415454 823594876 /nfs/dbraw/zinc/59/48/76/823594876.db2.gz LBEHGSUQWZOTNJ-UHFFFAOYSA-N 1 0 393.890 4.246 20 0 GIADRO CCS(=O)(=O)CCCCC[N@@H+]1CCCCC[C@H]1C[C@H](O)c1cccs1 ZINC000190656139 823595579 /nfs/dbraw/zinc/59/55/79/823595579.db2.gz MWCATGUZXBORHD-ROUUACIJSA-N 1 0 387.611 4.021 20 0 GIADRO CCOc1ccc(NC(=O)CC[N@H+](C)C2CCN(c3ccccc3)CC2)cc1 ZINC000411662695 823595709 /nfs/dbraw/zinc/59/57/09/823595709.db2.gz GHUBTBZBHYQGFG-UHFFFAOYSA-N 1 0 381.520 4.015 20 0 GIADRO COc1ccc(C(=O)CCC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)cc1 ZINC000061412203 823595911 /nfs/dbraw/zinc/59/59/11/823595911.db2.gz KHZPTPZZFWYFCY-UHFFFAOYSA-N 1 0 394.515 4.325 20 0 GIADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2-c2nc(C(C)(C)C)no2)C1 ZINC000124439902 823596929 /nfs/dbraw/zinc/59/69/29/823596929.db2.gz HIQREFPYYUXHIU-KRWDZBQOSA-N 1 0 398.551 4.132 20 0 GIADRO COc1ccc(CCCC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)cc1 ZINC000061432968 823597053 /nfs/dbraw/zinc/59/70/53/823597053.db2.gz PHYLKAHAQZASPC-UHFFFAOYSA-N 1 0 388.939 4.262 20 0 GIADRO Cc1nc(CC(C)C)oc1C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000190673687 823597377 /nfs/dbraw/zinc/59/73/77/823597377.db2.gz UPIDAWWPRDCZCT-KRWDZBQOSA-N 1 0 375.557 4.298 20 0 GIADRO COc1ccccc1NC(=O)C[NH2+]C(C)(C)Cc1ccc(C(F)(F)F)cc1 ZINC000190678546 823597654 /nfs/dbraw/zinc/59/76/54/823597654.db2.gz AOEOLMDSFBGJGK-UHFFFAOYSA-N 1 0 380.410 4.263 20 0 GIADRO O=C(CC[NH2+][C@@H]1CCCC12CCOCC2)N[C@@H](c1cccs1)c1ccccc1 ZINC000411699131 823597867 /nfs/dbraw/zinc/59/78/67/823597867.db2.gz YDAQYQCNSZPJOK-IFMALSPDSA-N 1 0 398.572 4.283 20 0 GIADRO CCC[N@H+](CC)Cc1ccc(C(=O)NCc2ncc(-c3ccccc3)cn2)cc1 ZINC000461203640 823597967 /nfs/dbraw/zinc/59/79/67/823597967.db2.gz WHWLYDQALLZBJX-UHFFFAOYSA-N 1 0 388.515 4.306 20 0 GIADRO CC(C)OCCCNC(=O)C1CC[NH+](CCCc2cccc3ccccc32)CC1 ZINC000124454330 823597979 /nfs/dbraw/zinc/59/79/79/823597979.db2.gz OCHOTGYACSVRGZ-UHFFFAOYSA-N 1 0 396.575 4.416 20 0 GIADRO CC(=O)Oc1ccc(C[N@@H+](Cc2ccccc2)C[C@H](O)c2ccsc2)cc1 ZINC000124452467 823598032 /nfs/dbraw/zinc/59/80/32/823598032.db2.gz UXECCXGRFDVLSE-QFIPXVFZSA-N 1 0 381.497 4.409 20 0 GIADRO Cc1ccc(Br)cc1C[NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000190695826 823599029 /nfs/dbraw/zinc/59/90/29/823599029.db2.gz PDUYAXQXVNENSP-JXFKEZNVSA-N 1 0 388.353 4.153 20 0 GIADRO Cc1ccc(Br)cc1C[NH2+][C@@H](C)CC(=O)Nc1cccnc1Cl ZINC000190695357 823599126 /nfs/dbraw/zinc/59/91/26/823599126.db2.gz IGGRJTLDNUJWMD-LBPRGKRZSA-N 1 0 396.716 4.313 20 0 GIADRO CCn1c(CCNC(=O)c2cccc(C[NH+]3CCCCC3)c2)nc2ccccc21 ZINC000411713764 823599177 /nfs/dbraw/zinc/59/91/77/823599177.db2.gz YGNWLSBHESLKBU-UHFFFAOYSA-N 1 0 390.531 4.015 20 0 GIADRO CC(C)Oc1ccccc1NC(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000061500770 823599857 /nfs/dbraw/zinc/59/98/57/823599857.db2.gz KLPJGNWTEWACNZ-UHFFFAOYSA-N 1 0 381.520 4.432 20 0 GIADRO Fc1cc(-c2ncco2)ccc1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000411724604 823600167 /nfs/dbraw/zinc/60/01/67/823600167.db2.gz YTGIQLWXQKBRAN-RZUBCFFCSA-N 1 0 378.447 4.485 20 0 GIADRO Cc1nc(-c2c[nH]c(C(=O)NC[C@H](c3ccc(C)cc3)[NH+]3CCCC3)c2)cs1 ZINC000061503098 823600256 /nfs/dbraw/zinc/60/02/56/823600256.db2.gz VPVITZBJFOFWTP-OAQYLSRUSA-N 1 0 394.544 4.322 20 0 GIADRO CC(=O)c1c(C)[nH]c(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)c1C ZINC000061503942 823600332 /nfs/dbraw/zinc/60/03/32/823600332.db2.gz FNYKLYBQRKRVDO-UHFFFAOYSA-N 1 0 381.520 4.140 20 0 GIADRO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1[NH2+]Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000411725530 823600363 /nfs/dbraw/zinc/60/03/63/823600363.db2.gz GCZATDZJKAXMKV-RYGJVYDSSA-N 1 0 397.906 4.430 20 0 GIADRO O=C(CCC(=O)c1ccc(F)cc1)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000061504048 823600383 /nfs/dbraw/zinc/60/03/83/823600383.db2.gz RZTXSTSDHCXYLO-UHFFFAOYSA-N 1 0 396.506 4.481 20 0 GIADRO O=C(CC[N@@H+]1CCC[C@H](c2ccncc2)C1)Nc1cccc(Br)c1 ZINC000411726770 823600428 /nfs/dbraw/zinc/60/04/28/823600428.db2.gz HZYWLOPCZPNALI-INIZCTEOSA-N 1 0 388.309 4.052 20 0 GIADRO CC[NH2+]Cc1ccccc1NC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C ZINC000124483108 823600517 /nfs/dbraw/zinc/60/05/17/823600517.db2.gz UWOBLJOZQVZADR-UHFFFAOYSA-N 1 0 377.492 4.251 20 0 GIADRO CCCNC(=O)CCC[N@@H+]1CCc2nc(-c3ccccc3Cl)sc2C1 ZINC000411731965 823600794 /nfs/dbraw/zinc/60/07/94/823600794.db2.gz COFCRQADWVQTNP-UHFFFAOYSA-N 1 0 377.941 4.128 20 0 GIADRO COc1cc([C@H](C)[NH2+]CCC(=O)N[C@H](c2cccs2)c2ccccc2)ccn1 ZINC000411741967 823601354 /nfs/dbraw/zinc/60/13/54/823601354.db2.gz QHIDBUZIXILWFK-AOMKIAJQSA-N 1 0 395.528 4.098 20 0 GIADRO COC[C@H](NC(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C)c1cccc(Cl)c1 ZINC000461227911 823601590 /nfs/dbraw/zinc/60/15/90/823601590.db2.gz UFJMVANTNBBIQC-XPGWFJOJSA-N 1 0 389.927 4.018 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000061530222 823601847 /nfs/dbraw/zinc/60/18/47/823601847.db2.gz RGVYDGYMCZGVBX-UHFFFAOYSA-N 1 0 394.563 4.128 20 0 GIADRO O=C(C[C@@H](c1ccc(O)cc1)C1CC1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000411746734 823602070 /nfs/dbraw/zinc/60/20/70/823602070.db2.gz UDNRCRJGJOQZMY-JOCHJYFZSA-N 1 0 398.572 4.366 20 0 GIADRO CCC1(C)C[NH+](C[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000461236254 823602171 /nfs/dbraw/zinc/60/21/71/823602171.db2.gz CWLPRYYTQPPFAR-FQEVSTJZSA-N 1 0 375.459 4.164 20 0 GIADRO CN1CC[C@H]([NH2+]CCC(=O)Nc2ccccc2Cl)[C@H]1c1ccc(Cl)cc1 ZINC000411750158 823602310 /nfs/dbraw/zinc/60/23/10/823602310.db2.gz QEMWFMBBQSVDSG-AZUAARDMSA-N 1 0 392.330 4.357 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@H](C)[C@@H]1OCCc2sccc21 ZINC000411753124 823602371 /nfs/dbraw/zinc/60/23/71/823602371.db2.gz BYJYYVIFKUQBMZ-BLVKFPJESA-N 1 0 394.924 4.031 20 0 GIADRO CC(C)[NH+]1CCC(NC(=O)CN[C@H](c2c(Cl)cccc2Cl)C2CC2)CC1 ZINC000411755138 823602575 /nfs/dbraw/zinc/60/25/75/823602575.db2.gz RFFVJLQYNDZXQH-FQEVSTJZSA-N 1 0 398.378 4.023 20 0 GIADRO Cc1c(F)cccc1NC(=O)CC[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000411754993 823602641 /nfs/dbraw/zinc/60/26/41/823602641.db2.gz YGSWRULLMNZVHV-CTNGQTDRSA-N 1 0 389.902 4.151 20 0 GIADRO O=C(NC1(c2ccc(Cl)c(Cl)c2)CC1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000411760769 823603220 /nfs/dbraw/zinc/60/32/20/823603220.db2.gz SREUHFQOPJAZOO-HNNXBMFYSA-N 1 0 399.387 4.316 20 0 GIADRO O=C(NCc1csc2ccccc12)NCc1ccccc1C[NH+]1CCCC1 ZINC000061553237 823603321 /nfs/dbraw/zinc/60/33/21/823603321.db2.gz IYANVSHSOWDVCG-UHFFFAOYSA-N 1 0 379.529 4.497 20 0 GIADRO COc1c(C)cnc(C[N@H+](C)CCc2nc(-c3ccc(Cl)cc3)no2)c1C ZINC000411780322 823604285 /nfs/dbraw/zinc/60/42/85/823604285.db2.gz FRALTKVYPXJDHQ-UHFFFAOYSA-N 1 0 386.883 4.085 20 0 GIADRO CC(C)[C@H](CO)[C@@H]([NH2+]Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1)C(C)C ZINC000411783212 823604410 /nfs/dbraw/zinc/60/44/10/823604410.db2.gz FMOJYJFOCPNCFW-UGSOOPFHSA-N 1 0 389.521 4.036 20 0 GIADRO C[C@H]1CCC[C@@](CNC(=O)CCc2ncc(-c3ccccc3F)o2)([NH+](C)C)C1 ZINC000124538031 823604576 /nfs/dbraw/zinc/60/45/76/823604576.db2.gz RLWIFDQGNPEGFF-KSFYIVLOSA-N 1 0 387.499 4.040 20 0 GIADRO CC(C)n1c2ccc(C(=O)N(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)cc2nc1C(F)(F)F ZINC000124544581 823605058 /nfs/dbraw/zinc/60/50/58/823605058.db2.gz JUWATRUHUAKCKB-UKRRQHHQSA-N 1 0 396.457 4.191 20 0 GIADRO CCn1cc([C@H](C)[NH2+]CCC(=O)Nc2ccc(Oc3ccccc3)cc2)cn1 ZINC000411792354 823605193 /nfs/dbraw/zinc/60/51/93/823605193.db2.gz AKQLCHFGPFCOBH-KRWDZBQOSA-N 1 0 378.476 4.375 20 0 GIADRO C[C@H]([NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1)[C@H](O)c1ccc(F)cc1 ZINC000124552862 823605874 /nfs/dbraw/zinc/60/58/74/823605874.db2.gz KLXZCCYOWPIXBQ-QKKBWIMNSA-N 1 0 394.893 4.294 20 0 GIADRO O=C(CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)Nc1ccccc1Oc1ccccc1 ZINC000411801846 823606084 /nfs/dbraw/zinc/60/60/84/823606084.db2.gz NKOCVBFLOWUNQM-NMNUPHIUSA-N 1 0 392.499 4.355 20 0 GIADRO Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1NC(=O)Nc1ccccc1 ZINC000124558108 823606501 /nfs/dbraw/zinc/60/65/01/823606501.db2.gz UMWZNJQLYYPTEC-YLJYHZDGSA-N 1 0 394.519 4.194 20 0 GIADRO O=C(c1cccc(Oc2ccccc2)c1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000061648598 823607384 /nfs/dbraw/zinc/60/73/84/823607384.db2.gz VSJCRGFGNPSKHW-UHFFFAOYSA-N 1 0 394.515 4.053 20 0 GIADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000461261692 823607428 /nfs/dbraw/zinc/60/74/28/823607428.db2.gz XOEFFFQMMANXNP-USXIJHARSA-N 1 0 384.442 4.022 20 0 GIADRO CC(=O)Nc1cccc(C(=O)OCC2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000190781127 823608022 /nfs/dbraw/zinc/60/80/22/823608022.db2.gz OQEQVKFWDVVZTG-UHFFFAOYSA-N 1 0 380.488 4.022 20 0 GIADRO CC(C)Oc1ccc(NC(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000061671973 823608260 /nfs/dbraw/zinc/60/82/60/823608260.db2.gz KKNAQPCOJHBCCD-UHFFFAOYSA-N 1 0 381.520 4.432 20 0 GIADRO Brc1ccccc1-c1noc([C@H]2CCC[N@@H+]2CCc2ccccn2)n1 ZINC000190783246 823608482 /nfs/dbraw/zinc/60/84/82/823608482.db2.gz OWZUOMBSQKUDQG-QGZVFWFLSA-N 1 0 399.292 4.274 20 0 GIADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000124592035 823609237 /nfs/dbraw/zinc/60/92/37/823609237.db2.gz XYJREACJIYEMGD-IAQYHMDHSA-N 1 0 386.721 4.051 20 0 GIADRO Cc1ccc([C@H](CNC(=O)Nc2ccc(F)c(F)c2F)[NH+]2CCCC2)cc1 ZINC000061734343 823610105 /nfs/dbraw/zinc/61/01/05/823610105.db2.gz WUJFCACPUAHYNX-KRWDZBQOSA-N 1 0 377.410 4.371 20 0 GIADRO C[NH+](C)CCn1c2cc(NCc3ccc(Cl)cc3Cl)ccc2oc1=O ZINC000124605060 823610598 /nfs/dbraw/zinc/61/05/98/823610598.db2.gz AGVRRRZMEAOHOE-UHFFFAOYSA-N 1 0 380.275 4.075 20 0 GIADRO CC[NH+](CC)[C@@H](C(=O)N1CC2(CCC2(F)F)C1)c1cccc(C(F)(F)F)c1 ZINC000461282160 823611445 /nfs/dbraw/zinc/61/14/45/823611445.db2.gz GADKJRFBLYTKOS-OAHLLOKOSA-N 1 0 390.396 4.346 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)cc1 ZINC000061747686 823611600 /nfs/dbraw/zinc/61/16/00/823611600.db2.gz MMOLLVYSTLHKCN-UHFFFAOYSA-N 1 0 394.519 4.343 20 0 GIADRO CCCc1nnc(NC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)s1 ZINC000061747563 823611612 /nfs/dbraw/zinc/61/16/12/823611612.db2.gz MVEYORSUUZPWTK-UHFFFAOYSA-N 1 0 387.553 4.188 20 0 GIADRO CC[C@@H]([NH2+]CC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C)c1ccccc1 ZINC000411884532 823612635 /nfs/dbraw/zinc/61/26/35/823612635.db2.gz BQUMYOLAUOSIAR-OAQYLSRUSA-N 1 0 376.504 4.477 20 0 GIADRO CC[C@@H]([NH2+]CC(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1)c1ccccc1 ZINC000411886687 823612823 /nfs/dbraw/zinc/61/28/23/823612823.db2.gz FIJQXVMHJKPLBU-UXHICEINSA-N 1 0 382.504 4.108 20 0 GIADRO Cc1c(F)cccc1NC(=O)CC[NH2+][C@@H](c1cccs1)C1(CO)CCC1 ZINC000411887161 823612960 /nfs/dbraw/zinc/61/29/60/823612960.db2.gz YPIBVKAVQRSRDV-IBGZPJMESA-N 1 0 376.497 4.018 20 0 GIADRO C[NH+](C)CCn1c2cc(NCc3c(Cl)cccc3Cl)ccc2oc1=O ZINC000124638454 823613305 /nfs/dbraw/zinc/61/33/05/823613305.db2.gz KEXRGTVRYYUMPQ-UHFFFAOYSA-N 1 0 380.275 4.075 20 0 GIADRO CCOc1ccc(NC(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1F ZINC000061775282 823613356 /nfs/dbraw/zinc/61/33/56/823613356.db2.gz BEMMDRFTJTWKCX-FQEVSTJZSA-N 1 0 385.483 4.491 20 0 GIADRO Cc1ccccc1C[C@@H](C)NC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000061791347 823614678 /nfs/dbraw/zinc/61/46/78/823614678.db2.gz XQIKKZVWPWBPLH-LJQANCHMSA-N 1 0 397.588 4.339 20 0 GIADRO Cc1ccccc1CN(C)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000061792375 823614886 /nfs/dbraw/zinc/61/48/86/823614886.db2.gz MTKUIHSXTUWUTJ-UHFFFAOYSA-N 1 0 383.561 4.250 20 0 GIADRO CN(CCCc1ccccc1)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000061792227 823614946 /nfs/dbraw/zinc/61/49/46/823614946.db2.gz LZCHGSLGEOIWCQ-UHFFFAOYSA-N 1 0 397.588 4.374 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)NCCSc2ccc(Cl)cc2)c1 ZINC000061855161 823616203 /nfs/dbraw/zinc/61/62/03/823616203.db2.gz AMPGKUUFHSHZLF-UHFFFAOYSA-N 1 0 391.968 4.383 20 0 GIADRO CO[C@](C)([C@@H](C)[NH2+]Cc1ncc(-c2cccc(Br)c2)o1)C1CC1 ZINC000411954210 823616394 /nfs/dbraw/zinc/61/63/94/823616394.db2.gz STFHMNXLZPUFRR-KZULUSFZSA-N 1 0 379.298 4.397 20 0 GIADRO COc1cccc(CCNC(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)c1 ZINC000061866611 823616637 /nfs/dbraw/zinc/61/66/37/823616637.db2.gz VYQKFWWXHKVVGJ-LJQANCHMSA-N 1 0 395.547 4.112 20 0 GIADRO CO[C@@](C)([C@H](C)[NH2+]CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)C1CC1 ZINC000411972747 823617244 /nfs/dbraw/zinc/61/72/44/823617244.db2.gz QMMWOMGHVSBAOG-GMWOSMDTSA-N 1 0 398.572 4.015 20 0 GIADRO CO[C@](C)([C@@H](C)[NH2+]CCC(=O)NC(c1ccccc1)c1ccccc1)C1CC1 ZINC000411972067 823617266 /nfs/dbraw/zinc/61/72/66/823617266.db2.gz PIICSSFHFYGPMJ-HOYKHHGWSA-N 1 0 380.532 4.076 20 0 GIADRO Cc1cccc(C)c1NC(=O)CCC[N@@H+]1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000411976524 823617435 /nfs/dbraw/zinc/61/74/35/823617435.db2.gz DJFSDKLCRADGHC-XMMPIXPASA-N 1 0 392.499 4.132 20 0 GIADRO Cc1cc(C)n(-c2ccc(C[N@@H+]3CC[C@@]4(C3)CC(=O)c3ccccc3O4)cc2)n1 ZINC000411978998 823617651 /nfs/dbraw/zinc/61/76/51/823617651.db2.gz HTSCGNUWZSILRK-DEOSSOPVSA-N 1 0 387.483 4.099 20 0 GIADRO CSc1ccccc1OC[C@@H](O)C[N@H+](Cc1c(C)nc2ccccn21)C(C)C ZINC000411987803 823618346 /nfs/dbraw/zinc/61/83/46/823618346.db2.gz RMSCGJDIQDLHMP-SFHVURJKSA-N 1 0 399.560 4.015 20 0 GIADRO Cc1nc(C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)c(Br)s1 ZINC000411990848 823618709 /nfs/dbraw/zinc/61/87/09/823618709.db2.gz SAMQWQMWLDOGSO-NSHDSACASA-N 1 0 396.354 4.073 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(Br)c(F)cc2C)[C@H](C)C1 ZINC000190880286 823619078 /nfs/dbraw/zinc/61/90/78/823619078.db2.gz FTUUAFZSDXGABR-MLGOLLRUSA-N 1 0 386.309 4.091 20 0 GIADRO CC[C@H](C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1)c1ccc(F)cc1 ZINC000461340680 823620598 /nfs/dbraw/zinc/62/05/98/823620598.db2.gz OIOWBELMPXTBKM-QFIPXVFZSA-N 1 0 383.511 4.488 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@@H]2CCCc3c(O)cccc32)CC1 ZINC000190893351 823620777 /nfs/dbraw/zinc/62/07/77/823620777.db2.gz ZSTCZCVNLVTYNX-JOCHJYFZSA-N 1 0 393.531 4.042 20 0 GIADRO O=C(CC[NH2+]C1(CO)C2CC3CC(C2)CC1C3)Nc1c(Cl)cccc1Cl ZINC000412004038 823621157 /nfs/dbraw/zinc/62/11/57/823621157.db2.gz RQPSXVPFEHPAFZ-UHFFFAOYSA-N 1 0 397.346 4.099 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)C[N@@H+](C)[C@@H]2CCCC[C@H]2c2ccccc2)cc1 ZINC000412006486 823621897 /nfs/dbraw/zinc/62/18/97/823621897.db2.gz HXILXGLHXDDAGZ-FCHUYYIVSA-N 1 0 379.504 4.242 20 0 GIADRO CC(C)C[NH+]1CCC(NC(=O)C(=O)Nc2c(C(C)C)cccc2C(C)C)CC1 ZINC000062009281 823621967 /nfs/dbraw/zinc/62/19/67/823621967.db2.gz PYVBNIWAIPNRBZ-UHFFFAOYSA-N 1 0 387.568 4.109 20 0 GIADRO OCC1([C@H]([NH2+]CCSc2ccc(F)cc2)c2ccccc2)CCOCC1 ZINC000412008734 823622075 /nfs/dbraw/zinc/62/20/75/823622075.db2.gz MDRMCMSOFSHUGG-HXUWFJFHSA-N 1 0 375.509 4.038 20 0 GIADRO CCS(=O)(=O)CCCCC[NH2+][C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000190907641 823622751 /nfs/dbraw/zinc/62/27/51/823622751.db2.gz NGKZVCJNXPLTSY-IBGZPJMESA-N 1 0 380.941 4.019 20 0 GIADRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1ccnc(OC2CCC2)c1 ZINC000124748590 823623026 /nfs/dbraw/zinc/62/30/26/823623026.db2.gz HRHIRPXXEOUMEH-UHFFFAOYSA-N 1 0 397.544 4.122 20 0 GIADRO CCN(C)c1ccc(C[NH2+]Cc2ccc(NC(=O)c3ccc(F)cc3)cc2)cn1 ZINC000190913130 823623478 /nfs/dbraw/zinc/62/34/78/823623478.db2.gz YYWAYTJGYXYQGY-UHFFFAOYSA-N 1 0 392.478 4.219 20 0 GIADRO CC[N@H+](CCC(=O)Nc1c(C)nn(-c2ccccc2)c1C)Cc1occc1C ZINC000412024308 823623511 /nfs/dbraw/zinc/62/35/11/823623511.db2.gz FPFJCLWDLNPFLG-UHFFFAOYSA-N 1 0 380.492 4.241 20 0 GIADRO CCc1ccc(Cl)c(CC)c1NC(=O)CCC[N@@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000412038112 823623674 /nfs/dbraw/zinc/62/36/74/823623674.db2.gz GYJVVGQPSIVSEJ-KSZLIROESA-N 1 0 392.971 4.276 20 0 GIADRO O=C1CCCN1[C@H]1CCC[N@@H+](CCCCOc2ccccc2C(F)(F)F)CC1 ZINC000412051448 823624251 /nfs/dbraw/zinc/62/42/51/823624251.db2.gz AKTCHKVEYXSZSR-KRWDZBQOSA-N 1 0 398.469 4.341 20 0 GIADRO Cc1ccc(Sc2ncccc2C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1C ZINC000124765199 823624260 /nfs/dbraw/zinc/62/42/60/823624260.db2.gz LCRWQBFRBWOYNE-MSOLQXFVSA-N 1 0 383.561 4.404 20 0 GIADRO O=C1CCCN1[C@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000412058374 823624801 /nfs/dbraw/zinc/62/48/01/823624801.db2.gz UXNUDYLAMQXABR-QFIPXVFZSA-N 1 0 378.516 4.243 20 0 GIADRO Cc1cc(-c2nnc(C[N@@H+]3CCC[C@H](CCC(=O)OC(C)(C)C)C3)o2)c(C)o1 ZINC000412063223 823625285 /nfs/dbraw/zinc/62/52/85/823625285.db2.gz IVTAVUNKHLALPQ-MRXNPFEDSA-N 1 0 389.496 4.280 20 0 GIADRO Cc1nc(-c2c[nH]c(C(=O)NC[C@H]3CCC[N@H+](Cc4ccccc4)C3)c2)cs1 ZINC000062231104 823625341 /nfs/dbraw/zinc/62/53/41/823625341.db2.gz DZMDPPOQNFORFM-GOSISDBHSA-N 1 0 394.544 4.089 20 0 GIADRO Cc1cc(C)cc(OCCC(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000062230477 823625352 /nfs/dbraw/zinc/62/53/52/823625352.db2.gz PTJWEHYROADQFH-JOCHJYFZSA-N 1 0 380.532 4.101 20 0 GIADRO FC(F)c1ccc(C[NH+]2CCN(c3ccc(Br)cn3)CC2)cc1 ZINC000461376764 823625640 /nfs/dbraw/zinc/62/56/40/823625640.db2.gz NSORREFUGZKKPP-UHFFFAOYSA-N 1 0 382.252 4.104 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)N1CCc2ccc(OC)cc2C1 ZINC000062249836 823626343 /nfs/dbraw/zinc/62/63/43/823626343.db2.gz CMVLVXJSYABQFZ-UHFFFAOYSA-N 1 0 397.519 4.006 20 0 GIADRO CNC(=O)[C@H](CC(C)C)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1C ZINC000062258600 823626841 /nfs/dbraw/zinc/62/68/41/823626841.db2.gz HLOBNAYZTOWAFX-QFIPXVFZSA-N 1 0 390.531 4.098 20 0 GIADRO COc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H](C)COCC(F)(F)F)c2)cc1 ZINC000062259914 823626907 /nfs/dbraw/zinc/62/69/07/823626907.db2.gz IYAYEJYRYHOWFQ-AWEZNQCLSA-N 1 0 396.409 4.005 20 0 GIADRO CCN(C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000124803329 823627364 /nfs/dbraw/zinc/62/73/64/823627364.db2.gz FNNCDSCBTHYJAR-HUUCEWRRSA-N 1 0 383.458 4.282 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@H]2CCN(c3c(C)cc(C)cc3C)C2=O)c1 ZINC000190941173 823627752 /nfs/dbraw/zinc/62/77/52/823627752.db2.gz JFPSNZKMQOJYQM-UTKZUKDTSA-N 1 0 379.504 4.026 20 0 GIADRO COc1ccccc1[C@@H]1CCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000412123190 823627967 /nfs/dbraw/zinc/62/79/67/823627967.db2.gz LIZSHMIKYZUSJD-OAQYLSRUSA-N 1 0 378.516 4.311 20 0 GIADRO CC(=O)Nc1cccc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)c1C ZINC000190947636 823628923 /nfs/dbraw/zinc/62/89/23/823628923.db2.gz VZYBOYFKTFXEHN-QHCPKHFHSA-N 1 0 393.531 4.156 20 0 GIADRO Cc1ccnc(Oc2ccc(NC(=O)NCCC[N@@H+](C)C3CCCCC3)cc2)n1 ZINC000124822288 823628913 /nfs/dbraw/zinc/62/89/13/823628913.db2.gz OJGKQLHIJMRCDD-UHFFFAOYSA-N 1 0 397.523 4.353 20 0 GIADRO COc1cccc(C[NH2+]Cc2ccccc2-c2ccc(Cn3ccnc3)cc2)n1 ZINC000190949164 823629070 /nfs/dbraw/zinc/62/90/70/823629070.db2.gz WRDMQDFZVSKADP-UHFFFAOYSA-N 1 0 384.483 4.292 20 0 GIADRO O=C(N[C@@H](c1ccc(F)cc1)C1CCC1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412134581 823629095 /nfs/dbraw/zinc/62/90/95/823629095.db2.gz ZPZUBDNMNBDAMZ-WOJBJXKFSA-N 1 0 376.541 4.001 20 0 GIADRO CC(C)[C@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)c1ccccc1Cl ZINC000412137115 823629200 /nfs/dbraw/zinc/62/92/00/823629200.db2.gz OLJAUMWDXTUTBK-LPHOPBHVSA-N 1 0 380.985 4.371 20 0 GIADRO CCC(CC)(C[NH2+]Cc1ccc(-n2cncn2)cc1)c1ccc(OC)c(OC)c1 ZINC000461398586 823629429 /nfs/dbraw/zinc/62/94/29/823629429.db2.gz GZCFLRRGENIBQH-UHFFFAOYSA-N 1 0 394.519 4.132 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)CC[N@@H+]1C ZINC000124834646 823629649 /nfs/dbraw/zinc/62/96/49/823629649.db2.gz XABIKINVFLWLKP-YUMQZZPRSA-N 1 0 385.122 4.250 20 0 GIADRO O=C(c1cccc(C[NH+]2CCCCC2)c1)N1CC[C@@H](COCc2ccccc2)C1 ZINC000412143135 823629938 /nfs/dbraw/zinc/62/99/38/823629938.db2.gz CULXHDNFGFWTDH-HSZRJFAPSA-N 1 0 392.543 4.351 20 0 GIADRO CSc1cccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)c1 ZINC000062369236 823630013 /nfs/dbraw/zinc/63/00/13/823630013.db2.gz SNYVOQNBJYMPIK-UHFFFAOYSA-N 1 0 379.476 4.282 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000062369494 823630185 /nfs/dbraw/zinc/63/01/85/823630185.db2.gz OUKZATWYEBHNNO-UHFFFAOYSA-N 1 0 397.853 4.223 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)Nc1cccc2c1CCCC2 ZINC000062373568 823630386 /nfs/dbraw/zinc/63/03/86/823630386.db2.gz VJYOWVJBPUKGHD-UHFFFAOYSA-N 1 0 387.474 4.439 20 0 GIADRO O=C(Nc1ccc(OC(F)F)cc1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000062374863 823630646 /nfs/dbraw/zinc/63/06/46/823630646.db2.gz VAIRFBBKVRZGCY-UHFFFAOYSA-N 1 0 381.467 4.454 20 0 GIADRO CCCCCc1nnc(NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)s1 ZINC000062375783 823630851 /nfs/dbraw/zinc/63/08/51/823630851.db2.gz ZUBHRIIRUOASBD-UHFFFAOYSA-N 1 0 393.601 4.437 20 0 GIADRO CC(C)CCOc1ccc(NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)cc1 ZINC000412152787 823630947 /nfs/dbraw/zinc/63/09/47/823630947.db2.gz FSXBYEUURAWHJL-LJQANCHMSA-N 1 0 376.566 4.268 20 0 GIADRO O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000412162414 823631814 /nfs/dbraw/zinc/63/18/14/823631814.db2.gz BDOBYHFMAQSDCI-INIZCTEOSA-N 1 0 399.387 4.096 20 0 GIADRO CCCOc1cccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)c1 ZINC000062387271 823631945 /nfs/dbraw/zinc/63/19/45/823631945.db2.gz SVHWOQSDMSNOCK-UHFFFAOYSA-N 1 0 391.462 4.349 20 0 GIADRO Cc1nc2ccc(NC(=O)NC3CC[NH+](Cc4ccc(F)cc4)CC3)cc2o1 ZINC000124862015 823632053 /nfs/dbraw/zinc/63/20/53/823632053.db2.gz DRDBJPGKNPULFE-UHFFFAOYSA-N 1 0 382.439 4.061 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)C[C@@H](c2ccc(O)cc2)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000412169090 823632139 /nfs/dbraw/zinc/63/21/39/823632139.db2.gz CCZJMYXGWRQDPO-IHLLOCCUSA-N 1 0 392.543 4.445 20 0 GIADRO O=C(N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)C1(c2cccc(Cl)c2)CC1 ZINC000461421461 823632984 /nfs/dbraw/zinc/63/29/84/823632984.db2.gz CNXVXJXQXKIESL-VQTJNVASSA-N 1 0 394.946 4.352 20 0 GIADRO O=C(c1ccc(-c2ccccc2)[nH]1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461421478 823633114 /nfs/dbraw/zinc/63/31/14/823633114.db2.gz CPGMQTSPJOQNBN-FGZHOGPDSA-N 1 0 385.511 4.276 20 0 GIADRO CCOc1ccc(NC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)cc1F ZINC000062404735 823633187 /nfs/dbraw/zinc/63/31/87/823633187.db2.gz FFIPUZYWSIKDFX-UHFFFAOYSA-N 1 0 393.890 4.474 20 0 GIADRO O=C(N[C@@H](c1ccccc1F)C1CCCC1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412179349 823633216 /nfs/dbraw/zinc/63/32/16/823633216.db2.gz XYSKLYHNOZPBEY-WIYYLYMNSA-N 1 0 390.568 4.391 20 0 GIADRO O=C([C@@H]1SCCc2sccc21)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461422032 823633218 /nfs/dbraw/zinc/63/32/18/823633218.db2.gz IGHDVJQTKKKYRJ-BBTUJRGHSA-N 1 0 398.597 4.059 20 0 GIADRO COc1ccccc1-n1c(SC[C@H]2CC[N@H+](C)C2)nnc1-c1cccs1 ZINC000190976028 823633344 /nfs/dbraw/zinc/63/33/44/823633344.db2.gz SWFWEEOJCOKXPV-AWEZNQCLSA-N 1 0 386.546 4.048 20 0 GIADRO O=C(c1cncc(-c2ccccc2)c1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461424661 823633717 /nfs/dbraw/zinc/63/37/17/823633717.db2.gz HXFBKDSEHOJPJG-RDGATRHJSA-N 1 0 397.522 4.343 20 0 GIADRO COc1ccc(C2(C(=O)N3CC[C@H](C[NH+]4CCCCC4)C3)CCCCC2)cc1 ZINC000461425500 823634023 /nfs/dbraw/zinc/63/40/23/823634023.db2.gz JCUILXAPAIXORF-HXUWFJFHSA-N 1 0 384.564 4.232 20 0 GIADRO CCc1ccccc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461425755 823634137 /nfs/dbraw/zinc/63/41/37/823634137.db2.gz IQHWJDJKCYDKBD-OPBMBUAESA-N 1 0 388.555 4.333 20 0 GIADRO CC[C@H](OC1CCCCC1)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461426975 823634365 /nfs/dbraw/zinc/63/43/65/823634365.db2.gz LFTPKHZAMHODDB-XJUOHMSHSA-N 1 0 384.564 4.095 20 0 GIADRO CCNC(=O)COc1cccc(C[NH2+][C@@H](CC)c2cc(Cl)ccc2OC)c1 ZINC000124895038 823634479 /nfs/dbraw/zinc/63/44/79/823634479.db2.gz CDDYMWUNYBUHQC-IBGZPJMESA-N 1 0 390.911 4.104 20 0 GIADRO CCC(CC)n1nc(C)cc1C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461427800 823634716 /nfs/dbraw/zinc/63/47/16/823634716.db2.gz QRYQSGPIZIOWMT-LEWJYISDSA-N 1 0 394.563 4.147 20 0 GIADRO CC(C)(C)c1ncc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000461427536 823634773 /nfs/dbraw/zinc/63/47/73/823634773.db2.gz LTZWIWBTZBUZRD-QZTJIDSGSA-N 1 0 383.561 4.035 20 0 GIADRO CCCCOc1ccc(C[NH2+][C@H](C)c2cccc(NS(C)(=O)=O)c2)cc1 ZINC000062421181 823634819 /nfs/dbraw/zinc/63/48/19/823634819.db2.gz NFCJXURCHZQZJO-MRXNPFEDSA-N 1 0 376.522 4.088 20 0 GIADRO CCC(CC)[C@@H](CNC(=O)Nc1ccc(Oc2nccc(C)n2)cc1)[NH+](C)C ZINC000124897741 823634851 /nfs/dbraw/zinc/63/48/51/823634851.db2.gz FOLXNPAXXNQZJY-LJQANCHMSA-N 1 0 385.512 4.065 20 0 GIADRO CCN(CC)[C@H](C[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)c1ccco1 ZINC000062423676 823634880 /nfs/dbraw/zinc/63/48/80/823634880.db2.gz FBZGMXIPHSKCME-QGZVFWFLSA-N 1 0 378.900 4.267 20 0 GIADRO CN(C(=O)C[C@H](c1ccc(O)cc1)C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000412198706 823634930 /nfs/dbraw/zinc/63/49/30/823634930.db2.gz WWVVPJYHVCBYOF-GMAHTHKFSA-N 1 0 378.516 4.009 20 0 GIADRO CCC(CC)n1ncc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1C ZINC000461428256 823634986 /nfs/dbraw/zinc/63/49/86/823634986.db2.gz MRIYQDOAEKHKTC-RTWAWAEBSA-N 1 0 394.563 4.147 20 0 GIADRO COc1ccc(C[NH2+]C[C@@H](c2ccc(C)cc2)N(C)C)cc1Br ZINC000062423391 823635002 /nfs/dbraw/zinc/63/50/02/823635002.db2.gz GNSIGEDCBGOBRR-SFHVURJKSA-N 1 0 377.326 4.159 20 0 GIADRO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N(CCc1ccccc1)C1CCCC1 ZINC000412199983 823635012 /nfs/dbraw/zinc/63/50/12/823635012.db2.gz ZARKBBXNQBJGRA-JOCHJYFZSA-N 1 0 386.605 4.218 20 0 GIADRO O=C(Cc1cccc(Cl)c1F)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461431176 823635710 /nfs/dbraw/zinc/63/57/10/823635710.db2.gz QWAPBHQBTHIDKP-RTBURBONSA-N 1 0 386.898 4.002 20 0 GIADRO CC(C)(CC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)c1ccccc1 ZINC000461433600 823636265 /nfs/dbraw/zinc/63/62/65/823636265.db2.gz WTFJGUOHFYXEIA-FGZHOGPDSA-N 1 0 376.544 4.335 20 0 GIADRO C[N@@H+]1CC[C@@H](CSC2=N/C(=C/c3ccccc3)C(=O)N2c2ccc(F)cc2)C1 ZINC000191001146 823636749 /nfs/dbraw/zinc/63/67/49/823636749.db2.gz KMMUSHLXFSXOKR-UOBPLZBXSA-N 1 0 395.503 4.254 20 0 GIADRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)NCc1cccc(Cl)c1 ZINC000062473787 823636955 /nfs/dbraw/zinc/63/69/55/823636955.db2.gz MBQGIGAUZJALRC-UHFFFAOYSA-N 1 0 380.319 4.267 20 0 GIADRO CC(C)(CNC(=O)N1CCC(c2cc3ccccc3[nH]2)CC1)[NH+]1CCCCC1 ZINC000062474743 823637180 /nfs/dbraw/zinc/63/71/80/823637180.db2.gz WHOZQRBVMCCSDL-UHFFFAOYSA-N 1 0 382.552 4.321 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000062476989 823637283 /nfs/dbraw/zinc/63/72/83/823637283.db2.gz OZTIDVASFITDJZ-NRFANRHFSA-N 1 0 387.474 4.189 20 0 GIADRO CC(C)[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F)c1ccccc1 ZINC000062476224 823637318 /nfs/dbraw/zinc/63/73/18/823637318.db2.gz INRSLBAUDLDNFD-OAQYLSRUSA-N 1 0 389.490 4.435 20 0 GIADRO Cc1cc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c(C)n1C(C)C ZINC000461438052 823637258 /nfs/dbraw/zinc/63/72/58/823637258.db2.gz JYEWPMPCYKUVHB-FCHUYYIVSA-N 1 0 379.548 4.280 20 0 GIADRO CCC(CC)c1cc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)on1 ZINC000461437667 823637402 /nfs/dbraw/zinc/63/74/02/823637402.db2.gz IJSNZJWKTJNTNI-UXHICEINSA-N 1 0 381.520 4.172 20 0 GIADRO Cc1cccc2c1OCC[C@H]2NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000191006885 823637454 /nfs/dbraw/zinc/63/74/54/823637454.db2.gz ABLRGVWCWMQQBU-SYYKKAFVSA-N 1 0 393.531 4.171 20 0 GIADRO O=C(c1coc2cc(F)ccc12)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461439371 823637653 /nfs/dbraw/zinc/63/76/53/823637653.db2.gz QZRLYNCJGKRPMP-MSOLQXFVSA-N 1 0 378.447 4.166 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)C[C@@H](c1ccc(O)cc1)C1CC1 ZINC000412230486 823637824 /nfs/dbraw/zinc/63/78/24/823637824.db2.gz SBLDVOFEXNDJPP-HSZRJFAPSA-N 1 0 393.531 4.046 20 0 GIADRO CCNC(=O)COc1cccc(C[NH2+][C@@H](C)c2sc(C(C)(C)C)nc2C)c1 ZINC000124930732 823637983 /nfs/dbraw/zinc/63/79/83/823637983.db2.gz ZHXGYQZJBNNAMC-AWEZNQCLSA-N 1 0 389.565 4.115 20 0 GIADRO O=C(N[C@@H](c1ccccc1)[C@@H]1CCOC1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412231493 823637992 /nfs/dbraw/zinc/63/79/92/823637992.db2.gz QBRHJIQJRJEJHL-PKTZIBPZSA-N 1 0 378.516 4.180 20 0 GIADRO O=C(c1cccn1C1CCCC1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461440939 823637985 /nfs/dbraw/zinc/63/79/85/823637985.db2.gz FBAABOISNDPCKH-NHCUHLMSSA-N 1 0 377.532 4.197 20 0 GIADRO Cc1ccccc1OCCCC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461441776 823638254 /nfs/dbraw/zinc/63/82/54/823638254.db2.gz GJODUDYJCUCBPK-PKTZIBPZSA-N 1 0 392.543 4.135 20 0 GIADRO O=C(Cc1csc2ccccc12)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461441767 823638284 /nfs/dbraw/zinc/63/82/84/823638284.db2.gz GHAQZTVDBQGPFT-TZIWHRDSSA-N 1 0 390.552 4.424 20 0 GIADRO O=C(CCc1ccc(Cl)cc1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461443265 823638700 /nfs/dbraw/zinc/63/87/00/823638700.db2.gz NESFGNHMOQMTRG-SFTDATJTSA-N 1 0 382.935 4.253 20 0 GIADRO O=C(c1coc(C2CCCCC2)n1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461443125 823638725 /nfs/dbraw/zinc/63/87/25/823638725.db2.gz ILQOTTMJMXLNPP-NHCUHLMSSA-N 1 0 393.531 4.316 20 0 GIADRO C[C@H](CNC(=O)N1CCC(c2cc3ccccc3[nH]2)CC1)C[NH+]1CCCCC1 ZINC000062498711 823638758 /nfs/dbraw/zinc/63/87/58/823638758.db2.gz UGAGZGCNVUZMDW-GOSISDBHSA-N 1 0 382.552 4.179 20 0 GIADRO COc1ccccc1[C@H](C)CC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461444555 823639060 /nfs/dbraw/zinc/63/90/60/823639060.db2.gz LCGPCKLYOLYDCG-CEMLEFRQSA-N 1 0 392.543 4.169 20 0 GIADRO Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000124943125 823639130 /nfs/dbraw/zinc/63/91/30/823639130.db2.gz HQFZTXLNVNBECT-ZOBUZTSGSA-N 1 0 380.602 4.398 20 0 GIADRO C[C@H](CC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)c1ccc(F)cc1 ZINC000461446324 823639314 /nfs/dbraw/zinc/63/93/14/823639314.db2.gz UKYMXPFOMDXDDC-BVYCBKJFSA-N 1 0 380.507 4.300 20 0 GIADRO Cc1ccc2[nH]c(C(=O)N3C[C@H]4CC[N@H+](Cc5ccccc5)C[C@@H]4C3)cc2c1C ZINC000461446745 823639391 /nfs/dbraw/zinc/63/93/91/823639391.db2.gz NLNZXPAKUXRPOC-NHCUHLMSSA-N 1 0 387.527 4.379 20 0 GIADRO CC(C)(C)c1ccc2c(c1)CN(C(=O)C1CC[NH+]([C@@H]3CCSC3)CC1)CC2 ZINC000412249532 823639938 /nfs/dbraw/zinc/63/99/38/823639938.db2.gz LNIRKOSORCZYIM-OAQYLSRUSA-N 1 0 386.605 4.086 20 0 GIADRO C[C@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)C1(c2ccccc2)CCCC1 ZINC000412257106 823640468 /nfs/dbraw/zinc/64/04/68/823640468.db2.gz HULUPNIUWVKVEY-RXVVDRJESA-N 1 0 386.605 4.221 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)C[C@@H](c3ccc(O)cc3)C3CC3)c2)CC1 ZINC000412256737 823640570 /nfs/dbraw/zinc/64/05/70/823640570.db2.gz MKEVTQWIXNFDMQ-HSZRJFAPSA-N 1 0 393.531 4.057 20 0 GIADRO O=C(c1cc2ccc(Cl)cc2[nH]1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461453267 823640663 /nfs/dbraw/zinc/64/06/63/823640663.db2.gz ZKPAISRMJCCWGR-MOPGFXCFSA-N 1 0 393.918 4.415 20 0 GIADRO O=C(Cc1coc2cc(F)ccc12)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461455646 823641303 /nfs/dbraw/zinc/64/13/03/823641303.db2.gz MDXYVLONADCOQL-AZUAARDMSA-N 1 0 392.474 4.095 20 0 GIADRO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 ZINC000412266059 823641636 /nfs/dbraw/zinc/64/16/36/823641636.db2.gz YAQYUVFKLXLSND-ODAXIHTASA-N 1 0 398.616 4.389 20 0 GIADRO Cc1[nH]c2c(cccc2C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1C ZINC000461457679 823641698 /nfs/dbraw/zinc/64/16/98/823641698.db2.gz QRSSOIXJCCTOHD-NHCUHLMSSA-N 1 0 387.527 4.379 20 0 GIADRO Cc1[nH]c2c(cccc2C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1C ZINC000461457680 823641710 /nfs/dbraw/zinc/64/17/10/823641710.db2.gz QRSSOIXJCCTOHD-RTWAWAEBSA-N 1 0 387.527 4.379 20 0 GIADRO Cc1nc(CC2CC2)sc1C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000191051005 823642660 /nfs/dbraw/zinc/64/26/60/823642660.db2.gz LVNCDLMIGZSPMB-SFHVURJKSA-N 1 0 375.582 4.132 20 0 GIADRO O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(Cl)s1 ZINC000461467433 823643111 /nfs/dbraw/zinc/64/31/11/823643111.db2.gz PAZDPBARRMVZIR-MRXNPFEDSA-N 1 0 390.936 4.003 20 0 GIADRO CCNC(=O)Nc1ccc(C)c(NC(=O)c2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000412287365 823643147 /nfs/dbraw/zinc/64/31/47/823643147.db2.gz JYKQTNCPGHUDKC-UHFFFAOYSA-N 1 0 394.519 4.375 20 0 GIADRO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@H]1CCC(=O)c2ccccc21 ZINC000461468421 823643414 /nfs/dbraw/zinc/64/34/14/823643414.db2.gz JROYMYMTAXZQBZ-REWPJTCUSA-N 1 0 390.527 4.165 20 0 GIADRO Cc1ccc([C@H](CNC(=O)NCc2ccc(C(F)(F)F)cc2)[NH+](C)C)cc1 ZINC000062656442 823643586 /nfs/dbraw/zinc/64/35/86/823643586.db2.gz YWNYJVXOJHDQDG-SFHVURJKSA-N 1 0 379.426 4.116 20 0 GIADRO CCCCc1nnc(N(C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)n1Cc1cccs1 ZINC000461478223 823644843 /nfs/dbraw/zinc/64/48/43/823644843.db2.gz GTGZOJVQOYHIQN-DLBZAZTESA-N 1 0 375.586 4.040 20 0 GIADRO CCCCc1nnc(N(C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)n1Cc1cccs1 ZINC000461478224 823644850 /nfs/dbraw/zinc/64/48/50/823644850.db2.gz GTGZOJVQOYHIQN-IAGOWNOFSA-N 1 0 375.586 4.040 20 0 GIADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1nnc(CC(C)(C)C)n1Cc1cccs1 ZINC000461479970 823645178 /nfs/dbraw/zinc/64/51/78/823645178.db2.gz CXWPVPZPRMNVHE-IRXDYDNUSA-N 1 0 387.597 4.040 20 0 GIADRO Cc1ccc(Cc2ccccn2)cc1NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412326286 823646453 /nfs/dbraw/zinc/64/64/53/823646453.db2.gz CFCDLCRUWRUHGH-NRFANRHFSA-N 1 0 395.572 4.137 20 0 GIADRO CC[C@@H](C(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C(C)C)[NH+](CC)CC ZINC000461490947 823647594 /nfs/dbraw/zinc/64/75/94/823647594.db2.gz QQYUUTJYBKQPPD-KRWDZBQOSA-N 1 0 392.931 4.247 20 0 GIADRO COc1cccc(CN(CC[NH+](C)C)C(=O)Nc2ccc(Cl)cc2C)c1 ZINC000191091386 823647832 /nfs/dbraw/zinc/64/78/32/823647832.db2.gz UXKAUTUZYUZZCZ-UHFFFAOYSA-N 1 0 375.900 4.253 20 0 GIADRO COc1ccc2cc([C@H](C)[NH2+]C[C@@H](O)c3cc(OC)ccc3OC)ccc2c1 ZINC000125051611 823648280 /nfs/dbraw/zinc/64/82/80/823648280.db2.gz RCIRDSPJCLMBPT-OYHNWAKOSA-N 1 0 381.472 4.250 20 0 GIADRO CCS(=O)(=O)CCCCC[NH2+][C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000191095821 823648502 /nfs/dbraw/zinc/64/85/02/823648502.db2.gz VZOKNLZRPFOOAB-HNNXBMFYSA-N 1 0 380.579 4.374 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)N(CCC(F)(F)F)Cc2ccccc2)c1 ZINC000191096551 823648729 /nfs/dbraw/zinc/64/87/29/823648729.db2.gz MOSUEXKJGVWOGY-UHFFFAOYSA-N 1 0 393.453 4.412 20 0 GIADRO O=C(c1cccc(C[NH+]2CCCCC2)c1)N1CCC(F)(c2cccnc2)CC1 ZINC000412347218 823648860 /nfs/dbraw/zinc/64/88/60/823648860.db2.gz VSYZZXMJNUATTE-UHFFFAOYSA-N 1 0 381.495 4.169 20 0 GIADRO CCN(C)C(=O)c1cccc(NC(=O)c2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000412349492 823649078 /nfs/dbraw/zinc/64/90/78/823649078.db2.gz USHSQKWGLUTSNJ-UHFFFAOYSA-N 1 0 379.504 4.017 20 0 GIADRO O=C(NCc1ccc(-c2ccccc2)cc1F)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412356849 823649316 /nfs/dbraw/zinc/64/93/16/823649316.db2.gz GZOAKWWIRFRILB-OAQYLSRUSA-N 1 0 398.547 4.326 20 0 GIADRO Cc1ccsc1-c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n1Cc1cccs1 ZINC000461505874 823650557 /nfs/dbraw/zinc/65/05/57/823650557.db2.gz GUKRVTNCSGCTIK-HOTGVXAUSA-N 1 0 399.589 4.098 20 0 GIADRO COc1ccccc1[C@@H](C[NH2+][C@@H](C)c1cnn(C(C)(C)C)c1C)N1CCCC1 ZINC000191113589 823650576 /nfs/dbraw/zinc/65/05/76/823650576.db2.gz FNELRZMBHWNMOR-LAUBAEHRSA-N 1 0 384.568 4.443 20 0 GIADRO COCC[C@H](NC(=O)CC[C@H]1CCCC[N@@H+]1C)c1cccc(C(F)(F)F)c1 ZINC000412376511 823650647 /nfs/dbraw/zinc/65/06/47/823650647.db2.gz IHLJAIOAUIRUQE-MSOLQXFVSA-N 1 0 386.458 4.164 20 0 GIADRO COc1c(Br)cc(C[NH2+]CCC(F)(F)F)cc1Br ZINC000063099507 823651478 /nfs/dbraw/zinc/65/14/78/823651478.db2.gz MFACZNBILDYHJY-UHFFFAOYSA-N 1 0 391.025 4.262 20 0 GIADRO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1cnc(-c2ccccc2F)s1 ZINC000063094938 823651497 /nfs/dbraw/zinc/65/14/97/823651497.db2.gz JKLZHKVEJOQGSD-UHFFFAOYSA-N 1 0 375.513 4.286 20 0 GIADRO Fc1ccc(NC(=S)NC2CC[NH+](Cc3ccccc3)CC2)c(Cl)c1 ZINC000063142653 823652526 /nfs/dbraw/zinc/65/25/26/823652526.db2.gz QNCPLAAXXJNDGF-UHFFFAOYSA-N 1 0 377.916 4.430 20 0 GIADRO S=C(NC1CC[NH+](Cc2ccccc2)CC1)N(Cc1ccccc1)C1CC1 ZINC000063147085 823652717 /nfs/dbraw/zinc/65/27/17/823652717.db2.gz AUZFEXUCZSFAND-UHFFFAOYSA-N 1 0 379.573 4.190 20 0 GIADRO Fc1ccc(CN(C(=S)NC2CC[NH+](Cc3ccccc3)CC2)C2CC2)cc1 ZINC000063145346 823652732 /nfs/dbraw/zinc/65/27/32/823652732.db2.gz PYPIAXBQAMXPTR-UHFFFAOYSA-N 1 0 397.563 4.329 20 0 GIADRO Cc1cc(NC(=O)N2CCC([NH+]3CCCC3)CC2)ccc1Oc1cccnc1 ZINC000063164828 823653909 /nfs/dbraw/zinc/65/39/09/823653909.db2.gz KPBHZNSKAOBCGU-UHFFFAOYSA-N 1 0 380.492 4.274 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2CC(C)(C)Oc3ccccc32)cc1F ZINC000412419006 823654408 /nfs/dbraw/zinc/65/44/08/823654408.db2.gz PQXNZRWEHDCYDE-QGZVFWFLSA-N 1 0 386.467 4.050 20 0 GIADRO CCCCC1CCC(NC(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)CC1 ZINC000063229472 823655373 /nfs/dbraw/zinc/65/53/73/823655373.db2.gz CRWZJYIDZFXMQG-UHFFFAOYSA-N 1 0 399.579 4.129 20 0 GIADRO Cc1c2ccccc2oc1[C@@H](C)NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000125159795 823655804 /nfs/dbraw/zinc/65/58/04/823655804.db2.gz ZXMUUFQVFYSNMF-MBOZVWFJSA-N 1 0 381.520 4.461 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1ccc(Oc2cccnc2)cc1)c1cccc(F)c1 ZINC000063258549 823657506 /nfs/dbraw/zinc/65/75/06/823657506.db2.gz FHROESQRSFHKJT-OAQYLSRUSA-N 1 0 379.435 4.046 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)NC2(c3ccc(F)cc3)CCC2)CC1 ZINC000063265404 823658374 /nfs/dbraw/zinc/65/83/74/823658374.db2.gz CAHFYYPDWMPPNM-UHFFFAOYSA-N 1 0 396.510 4.169 20 0 GIADRO Cc1cc(Br)ccc1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000063272134 823658754 /nfs/dbraw/zinc/65/87/54/823658754.db2.gz WSIGBZWQPUCKLS-UHFFFAOYSA-N 1 0 379.342 4.142 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)Cc2ccoc2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000125217776 823659878 /nfs/dbraw/zinc/65/98/78/823659878.db2.gz DHYBOIASEJBUNB-LPHOPBHVSA-N 1 0 380.410 4.040 20 0 GIADRO CS(=O)(=O)c1ccc(OCCC[N@H+](Cc2ccc(Cl)cc2)C2CC2)cc1 ZINC000063286576 823660019 /nfs/dbraw/zinc/66/00/19/823660019.db2.gz AABOQJHYYAYAAX-UHFFFAOYSA-N 1 0 393.936 4.177 20 0 GIADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2csc(Cl)c2)cc1 ZINC000191219586 823660172 /nfs/dbraw/zinc/66/01/72/823660172.db2.gz FAFGSOXFCZWOPL-ZDUSSCGKSA-N 1 0 386.970 4.283 20 0 GIADRO O=C(NCCc1cccs1)C1CC[NH+](Cc2ccc(F)c3cccnc23)CC1 ZINC000063301221 823661096 /nfs/dbraw/zinc/66/10/96/823661096.db2.gz HNUPQWSVAHKCQW-UHFFFAOYSA-N 1 0 397.519 4.006 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)Nc2cccc([C@H](C)C(=O)OC)c2)cc1)C1CC1 ZINC000412546826 823661220 /nfs/dbraw/zinc/66/12/20/823661220.db2.gz KDCBKYVRSSQJEO-INIZCTEOSA-N 1 0 380.488 4.200 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)Nc2cccc([C@@H](C)C(=O)OC)c2)cc1)C(C)C ZINC000412553604 823661555 /nfs/dbraw/zinc/66/15/55/823661555.db2.gz WNTWMFTZMFFKQA-QGZVFWFLSA-N 1 0 382.504 4.446 20 0 GIADRO C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000412554472 823661797 /nfs/dbraw/zinc/66/17/97/823661797.db2.gz YQNNGEAKQVZYTI-LBPRGKRZSA-N 1 0 395.272 4.056 20 0 GIADRO C[NH+](C)Cc1ccc(NC(=O)[C@H]2C[C@H]2c2ccccc2OC(F)F)c(F)c1 ZINC000412555887 823662002 /nfs/dbraw/zinc/66/20/02/823662002.db2.gz CSJDWMDXZJGNOB-GJZGRUSLSA-N 1 0 378.394 4.231 20 0 GIADRO CCCc1c(C(=O)Nc2ccc(C[NH+](C)C)cc2F)cnn1-c1ccccc1 ZINC000412560613 823662340 /nfs/dbraw/zinc/66/23/40/823662340.db2.gz QFBBVKJMGGEECH-UHFFFAOYSA-N 1 0 380.467 4.278 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)CSc1ccccc1Cl ZINC000412561217 823662377 /nfs/dbraw/zinc/66/23/77/823662377.db2.gz DIJVEXQATVDENO-UHFFFAOYSA-N 1 0 394.924 4.020 20 0 GIADRO C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CCCCN2Cc2ccc(F)cc2)c(F)c1 ZINC000412560918 823662409 /nfs/dbraw/zinc/66/24/09/823662409.db2.gz ROEKQVMVUWCWFK-NRFANRHFSA-N 1 0 387.474 4.020 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)c1sc2nccc(C)c2c1C ZINC000412563575 823662721 /nfs/dbraw/zinc/66/27/21/823662721.db2.gz LQRDMGTWLCQMQR-UHFFFAOYSA-N 1 0 399.516 4.114 20 0 GIADRO C[NH+](C)Cc1ccc(NC(=O)CCc2cc(Br)ccc2F)c(F)c1 ZINC000412563062 823662734 /nfs/dbraw/zinc/66/27/34/823662734.db2.gz YLEJLGOWCBDPES-UHFFFAOYSA-N 1 0 397.263 4.360 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)[C@H](C)Cc1ccc(Cl)cc1 ZINC000412568278 823663317 /nfs/dbraw/zinc/66/33/17/823663317.db2.gz GIYIKZXQCPHGFK-OAHLLOKOSA-N 1 0 390.911 4.106 20 0 GIADRO COc1ccccc1NC(=O)C1CC[NH+](Cc2ccc(OCC3CC3)cc2)CC1 ZINC000191250876 823663549 /nfs/dbraw/zinc/66/35/49/823663549.db2.gz IYSVFYMFIRASBI-UHFFFAOYSA-N 1 0 394.515 4.335 20 0 GIADRO O=C(NCc1ccc(C(F)(F)F)cc1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000063333573 823663602 /nfs/dbraw/zinc/66/36/02/823663602.db2.gz FOYJHHFNZXEEGC-UHFFFAOYSA-N 1 0 383.458 4.159 20 0 GIADRO Cc1c([C@@H](C)[NH2+][C@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)cnn1C(C)C ZINC000191254661 823663792 /nfs/dbraw/zinc/66/37/92/823663792.db2.gz MBYWQYSYTDRJEN-QZTJIDSGSA-N 1 0 397.567 4.441 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)C[C@H](C)c1c[nH]c2ccccc21 ZINC000412585221 823664511 /nfs/dbraw/zinc/66/45/11/823664511.db2.gz XRQNYCGPNSAOKI-INIZCTEOSA-N 1 0 395.503 4.249 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1OC(C)C ZINC000125282111 823664690 /nfs/dbraw/zinc/66/46/90/823664690.db2.gz XOODYCJGOLNUKK-CVEARBPZSA-N 1 0 391.533 4.298 20 0 GIADRO C[C@@H](NC(=O)NC1CCC(C[NH+](C)C)CC1)c1ccc(-c2cccnc2)cc1 ZINC000125283343 823664713 /nfs/dbraw/zinc/66/47/13/823664713.db2.gz VUPAAQPZUDDZIS-PDDLGQBUSA-N 1 0 380.536 4.229 20 0 GIADRO Cc1ccc(C)c(NC(=S)NN=C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000063357768 823665385 /nfs/dbraw/zinc/66/53/85/823665385.db2.gz RVQOULLHOGIJML-UHFFFAOYSA-N 1 0 391.544 4.114 20 0 GIADRO Cc1ccc(-n2cccn2)cc1NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000191276008 823666439 /nfs/dbraw/zinc/66/64/39/823666439.db2.gz SFMASZNFQYYCBP-UHFFFAOYSA-N 1 0 389.503 4.098 20 0 GIADRO CCC(CC)c1nnc(NC(=O)NC2CC[NH+](CC3CCCC3)CC2)s1 ZINC000063389853 823666647 /nfs/dbraw/zinc/66/66/47/823666647.db2.gz GLPHVQSYWBFXHU-UHFFFAOYSA-N 1 0 379.574 4.218 20 0 GIADRO CCOc1cccc(NC(=O)NCC2CC[NH+](Cc3ccc(OC)cc3)CC2)c1 ZINC000063392639 823667289 /nfs/dbraw/zinc/66/72/89/823667289.db2.gz QXSOJVOGUUYGKQ-UHFFFAOYSA-N 1 0 397.519 4.128 20 0 GIADRO CC(C)(C)c1ccc([C@H](O)C[NH2+]C2CCC3(CC2)C(=O)Nc2ccccc23)cc1 ZINC000125323861 823667901 /nfs/dbraw/zinc/66/79/01/823667901.db2.gz DFWVYYUALSBWFD-WRVMZKTCSA-N 1 0 392.543 4.440 20 0 GIADRO O=C(N[C@H](c1ccccc1)C(F)(F)F)NC1CC[NH+](CC2CCCC2)CC1 ZINC000063407964 823669047 /nfs/dbraw/zinc/66/90/47/823669047.db2.gz AIBKELQBLIQGTI-GOSISDBHSA-N 1 0 383.458 4.244 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H]1CCCc2c(O)cccc21 ZINC000191313980 823670579 /nfs/dbraw/zinc/67/05/79/823670579.db2.gz NBYXGLISYUKZIR-OAQYLSRUSA-N 1 0 381.520 4.063 20 0 GIADRO COc1ccc(C)cc1NC(=O)[C@H]([NH2+][C@@H](C)C1CCOCC1)c1ccccc1 ZINC000125364571 823670817 /nfs/dbraw/zinc/67/08/17/823670817.db2.gz GNKTUXIBUPNWQP-HTAPYJJXSA-N 1 0 382.504 4.088 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@H](C)c1cnn(C(C)C)c1C ZINC000191326421 823672153 /nfs/dbraw/zinc/67/21/53/823672153.db2.gz OBWGNGHAEJXQAT-CYBMUJFWSA-N 1 0 378.904 4.114 20 0 GIADRO Cc1c(Cl)c(C[N@@H+]2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)nc2ccccc12 ZINC000125396056 823673009 /nfs/dbraw/zinc/67/30/09/823673009.db2.gz UNPYIQWJAYHIKM-QRWLVFNGSA-N 1 0 383.923 4.172 20 0 GIADRO CCN(CCc1ccccc1)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000063463850 823673214 /nfs/dbraw/zinc/67/32/14/823673214.db2.gz JHFDRWHCMWXVRV-HSZRJFAPSA-N 1 0 379.548 4.173 20 0 GIADRO CC(C)Oc1ccc(CNC(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000063463926 823673226 /nfs/dbraw/zinc/67/32/26/823673226.db2.gz MHPBVJDUJOOODU-JOCHJYFZSA-N 1 0 395.547 4.185 20 0 GIADRO O=C(NCCc1cccc(Cl)c1)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000063464533 823673409 /nfs/dbraw/zinc/67/34/09/823673409.db2.gz URDSCQXNSYLDBG-FQEVSTJZSA-N 1 0 385.939 4.094 20 0 GIADRO O=C(Cc1ccc(F)cc1Cl)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000125414065 823674445 /nfs/dbraw/zinc/67/44/45/823674445.db2.gz QDGYZEWSUYLRGD-IHWFROFDSA-N 1 0 386.898 4.333 20 0 GIADRO C[C@H]([NH2+][C@@H](C)C1CCOCC1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000125418030 823674627 /nfs/dbraw/zinc/67/46/27/823674627.db2.gz YXNULPLNRNRDJF-QWRGUYRKSA-N 1 0 378.822 4.091 20 0 GIADRO Cc1cc(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)c(C)n1-c1nccs1 ZINC000125424620 823675236 /nfs/dbraw/zinc/67/52/36/823675236.db2.gz WHVLTASGCBQELZ-FQEVSTJZSA-N 1 0 394.544 4.118 20 0 GIADRO Cc1c(NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)sc2c1CCCC2 ZINC000461652097 823675316 /nfs/dbraw/zinc/67/53/16/823675316.db2.gz JIZIBYDWGFFVQC-UHFFFAOYSA-N 1 0 397.588 4.476 20 0 GIADRO C[NH+](C)CCN(CCCc1ccccc1)C(=O)c1cc(F)c(F)cc1Cl ZINC000063485938 823675589 /nfs/dbraw/zinc/67/55/89/823675589.db2.gz MRIKOBUMYALWNM-UHFFFAOYSA-N 1 0 380.866 4.255 20 0 GIADRO COc1cc(C[NH2+][C@@H](C)c2cnn(C(C)C)c2C)cc(Br)c1OC ZINC000191354237 823675607 /nfs/dbraw/zinc/67/56/07/823675607.db2.gz MXRYUTQJJNBOKW-LBPRGKRZSA-N 1 0 396.329 4.403 20 0 GIADRO COc1ccc(OC)c([C@@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c2cc3ccccc3o2)c1 ZINC000191362522 823676631 /nfs/dbraw/zinc/67/66/31/823676631.db2.gz YAOUTJMEMIQAQK-PMPSAXMXSA-N 1 0 396.487 4.367 20 0 GIADRO CC(C)(C)c1ccc([C@H]2CCC[N@@H+]2CCC(=O)Nc2ccc(C(N)=O)cc2)cc1 ZINC000063508404 823676857 /nfs/dbraw/zinc/67/68/57/823676857.db2.gz HCPPBKAOPRZVHO-OAQYLSRUSA-N 1 0 393.531 4.249 20 0 GIADRO Clc1sc(C[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)cc1Br ZINC000191365384 823677154 /nfs/dbraw/zinc/67/71/54/823677154.db2.gz VMXGFVCCFJMRPW-ZANVPECISA-N 1 0 382.776 4.308 20 0 GIADRO C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000461664310 823677318 /nfs/dbraw/zinc/67/73/18/823677318.db2.gz LBNHHPFONKSTBL-BNUXRISVSA-N 1 0 393.531 4.203 20 0 GIADRO CCC1(CC)[C@@H]([NH2+]CC(=O)Nc2c(Cl)cccc2C(F)(F)F)C[C@@H]1OC ZINC000191370719 823677876 /nfs/dbraw/zinc/67/78/76/823677876.db2.gz OAVAFPMVGNZJPT-KBPBESRZSA-N 1 0 392.849 4.481 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)[NH2+]C[C@H](O)c2ccc(OC(C)C)cc2)cc1 ZINC000125464223 823678192 /nfs/dbraw/zinc/67/81/92/823678192.db2.gz VMRTXJKZVKTJKR-SBUREZEXSA-N 1 0 379.504 4.352 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000063541974 823678452 /nfs/dbraw/zinc/67/84/52/823678452.db2.gz DYNPGSJNOTVBLH-OAHLLOKOSA-N 1 0 385.439 4.038 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000063541915 823678458 /nfs/dbraw/zinc/67/84/58/823678458.db2.gz QBVDCOITBYAEKK-OAHLLOKOSA-N 1 0 385.439 4.038 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@@H](CO)c2cccc(Br)c2)cnn1C(C)(C)C ZINC000191382481 823678739 /nfs/dbraw/zinc/67/87/39/823678739.db2.gz MQROZTXQONAUDV-SJCJKPOMSA-N 1 0 380.330 4.093 20 0 GIADRO Cc1ccc(CCCCC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)cc1 ZINC000063571509 823680297 /nfs/dbraw/zinc/68/02/97/823680297.db2.gz DHZPPWDDZFVVAH-UHFFFAOYSA-N 1 0 379.548 4.407 20 0 GIADRO C[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2cccc(NC(=O)c3cccs3)c2)CC1 ZINC000125496239 823680886 /nfs/dbraw/zinc/68/08/86/823680886.db2.gz BGIJICSBLLRTQH-INIZCTEOSA-N 1 0 397.544 4.089 20 0 GIADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 ZINC000063582135 823681046 /nfs/dbraw/zinc/68/10/46/823681046.db2.gz AHBZVTZUCLOCEC-VNHYZAJKSA-N 1 0 383.305 4.066 20 0 GIADRO c1ccc(Oc2ncccc2-c2noc([C@@H]3CCC[N@@H+]3C3CCOCC3)n2)cc1 ZINC000125506930 823681547 /nfs/dbraw/zinc/68/15/47/823681547.db2.gz AQCKZVYDIWGDCX-IBGZPJMESA-N 1 0 392.459 4.240 20 0 GIADRO CCC(CC)n1ncc(C(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)c1C ZINC000125525990 823682672 /nfs/dbraw/zinc/68/26/72/823682672.db2.gz RMYZCUFFXMJXCZ-SFHVURJKSA-N 1 0 382.552 4.289 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)N[C@H]2COc3cccc(Cl)c32)C1 ZINC000461697363 823683102 /nfs/dbraw/zinc/68/31/02/823683102.db2.gz CWHZYGVCDSADNO-NUJGCVRESA-N 1 0 391.943 4.070 20 0 GIADRO Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)o1 ZINC000461700782 823683669 /nfs/dbraw/zinc/68/36/69/823683669.db2.gz WDJDSIPLABLDMI-QGZVFWFLSA-N 1 0 394.519 4.147 20 0 GIADRO COc1cc(C(C)=O)ccc1OC[C@H](O)C[N@@H+]1CCC[C@H]1c1ccc(C)c(C)c1 ZINC000063619637 823683731 /nfs/dbraw/zinc/68/37/31/823683731.db2.gz TXDGOPDEZCEHSI-YADHBBJMSA-N 1 0 397.515 4.091 20 0 GIADRO COC(=O)[C@@H](C)c1ccc(NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000412811267 823684671 /nfs/dbraw/zinc/68/46/71/823684671.db2.gz LBZCRWKHYPSNRZ-SFHVURJKSA-N 1 0 394.515 4.204 20 0 GIADRO C[C@@H](NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(C)(C)C[NH+](C)C ZINC000461709108 823685372 /nfs/dbraw/zinc/68/53/72/823685372.db2.gz PUELINPMMBFXCR-SNVBAGLBSA-N 1 0 384.364 4.430 20 0 GIADRO CC(C)c1ccc(C(=O)Nc2sccc2C(=O)NCCC[NH+]2CCCC2)cc1 ZINC000063667007 823687730 /nfs/dbraw/zinc/68/77/30/823687730.db2.gz HVMFPJPXPPPLKI-UHFFFAOYSA-N 1 0 399.560 4.340 20 0 GIADRO COc1cccc(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)c1OC ZINC000063679981 823689021 /nfs/dbraw/zinc/68/90/21/823689021.db2.gz RYIUONVAJPDBEG-UHFFFAOYSA-N 1 0 382.504 4.010 20 0 GIADRO CC[NH+]1CCC(NC(=O)c2ccsc2NC(=O)c2ccc(C(C)C)cc2)CC1 ZINC000063680837 823689133 /nfs/dbraw/zinc/68/91/33/823689133.db2.gz VLBMZBWEOZAPRU-UHFFFAOYSA-N 1 0 399.560 4.338 20 0 GIADRO Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000063693441 823689775 /nfs/dbraw/zinc/68/97/75/823689775.db2.gz RDVFKGIINFIVGE-CYBMUJFWSA-N 1 0 399.482 4.474 20 0 GIADRO C[N@H+](Cc1ccccc1CNC(=O)c1ccc(C(N)=S)cc1)C1CCCCC1 ZINC000063696733 823689937 /nfs/dbraw/zinc/68/99/37/823689937.db2.gz SFCVDFWURRHIEQ-UHFFFAOYSA-N 1 0 395.572 4.015 20 0 GIADRO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H](C)Cc1ccc(Br)cc1 ZINC000125616558 823690311 /nfs/dbraw/zinc/69/03/11/823690311.db2.gz KUEGQZMYXFDMBJ-HOTGVXAUSA-N 1 0 383.374 4.254 20 0 GIADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc(C3CC3)nc3onc(CC(C)(C)C)c32)C1 ZINC000063706413 823690380 /nfs/dbraw/zinc/69/03/80/823690380.db2.gz JGLZCLIDOZVBHE-HNNXBMFYSA-N 1 0 398.551 4.149 20 0 GIADRO COCc1cc([C@@H](C)[NH2+]Cc2ccc(OC)c(OC(F)F)c2)ccc1OC ZINC000125621458 823690780 /nfs/dbraw/zinc/69/07/80/823690780.db2.gz YOBBKJBOZWTILX-CYBMUJFWSA-N 1 0 381.419 4.302 20 0 GIADRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2csc(-c3cccc(Cl)c3)n2)CC1 ZINC000063722588 823691426 /nfs/dbraw/zinc/69/14/26/823691426.db2.gz QXCFAAJKWXXQAE-UHFFFAOYSA-N 1 0 377.941 4.410 20 0 GIADRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2cc3cc(Br)ccc3o2)CC1 ZINC000063722883 823691529 /nfs/dbraw/zinc/69/15/29/823691529.db2.gz RJNYVPIXSGIBDG-UHFFFAOYSA-N 1 0 379.298 4.142 20 0 GIADRO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]C[C@@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000125632640 823691735 /nfs/dbraw/zinc/69/17/35/823691735.db2.gz SJEQFMWYJWQJPA-YVEFUNNKSA-N 1 0 385.430 4.229 20 0 GIADRO Cc1ccc(C[NH2+]Cc2cc(Cl)cc(C)c2O)c(-n2cc(Cl)cn2)n1 ZINC000191500258 823691802 /nfs/dbraw/zinc/69/18/02/823691802.db2.gz KIUWLLGGQOSMAX-UHFFFAOYSA-N 1 0 377.275 4.186 20 0 GIADRO CCCCOc1ccc(C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cc1OCC ZINC000063726854 823692122 /nfs/dbraw/zinc/69/21/22/823692122.db2.gz BFTQZVGIGYQCNY-UHFFFAOYSA-N 1 0 376.541 4.211 20 0 GIADRO C[C@@H](C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)c1cccc(Br)c1 ZINC000461755978 823692305 /nfs/dbraw/zinc/69/23/05/823692305.db2.gz UWAPVONTRLJGJY-RHSMWYFYSA-N 1 0 391.309 4.099 20 0 GIADRO Cc1ccccc1O[C@H](C)C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000125639416 823692407 /nfs/dbraw/zinc/69/24/07/823692407.db2.gz ASYXIYLXSMNIAZ-QGZVFWFLSA-N 1 0 386.923 4.310 20 0 GIADRO C[C@H](C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cccc(Br)c1 ZINC000461755980 823692392 /nfs/dbraw/zinc/69/23/92/823692392.db2.gz UWAPVONTRLJGJY-YOEHRIQHSA-N 1 0 391.309 4.099 20 0 GIADRO C[C@@H](C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)c1cccc(Br)c1 ZINC000461757422 823692474 /nfs/dbraw/zinc/69/24/74/823692474.db2.gz RBYRYXSZAOTVIY-ACJLOTCBSA-N 1 0 393.300 4.111 20 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COc1cccc(CNC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)c1 ZINC000063777805 823695249 /nfs/dbraw/zinc/69/52/49/823695249.db2.gz QCCUFSIOHIYJSW-UHFFFAOYSA-N 1 0 381.520 4.071 20 0 GIADRO COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCN(c3ncccc3Cl)C1)CCS2 ZINC000191524999 823695285 /nfs/dbraw/zinc/69/52/85/823695285.db2.gz KHTFEEDLRQWWTR-DYVFJYSZSA-N 1 0 375.925 4.149 20 0 GIADRO COCC[C@@H](Cc1cccc(F)c1)[NH2+][C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000191531484 823696308 /nfs/dbraw/zinc/69/63/08/823696308.db2.gz BHIZSDJGGJCKCM-LIRRHRJNSA-N 1 0 387.430 4.313 20 0 GIADRO Cc1ccc(C[NH2+][C@H]2CSCCc3ccccc32)c(-n2cc(Cl)cn2)n1 ZINC000191531930 823696493 /nfs/dbraw/zinc/69/64/93/823696493.db2.gz VAQQJSXUFKDHCF-IBGZPJMESA-N 1 0 384.936 4.349 20 0 GIADRO C[C@@H](O)CC(C)(C)C[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000191533147 823696710 /nfs/dbraw/zinc/69/67/10/823696710.db2.gz OOMUKJFCGMRINE-KDOFPFPSSA-N 1 0 384.358 4.304 20 0 GIADRO CCOC(=O)N1CCC([NH2+][C@H](C)c2csc(-c3csc(C)n3)c2)CC1 ZINC000125686504 823696777 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4.320 20 0 GIADRO Cc1cc(F)c(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)cc1F ZINC000125794155 823712035 /nfs/dbraw/zinc/71/20/35/823712035.db2.gz KIRHZCNPIJUHAE-UHFFFAOYSA-N 1 0 376.472 4.383 20 0 GIADRO Cc1oc(NC(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)nc1C1CC1 ZINC000574375438 823712766 /nfs/dbraw/zinc/71/27/66/823712766.db2.gz JIWMBSOQOMGEQJ-GOSISDBHSA-N 1 0 382.508 4.284 20 0 GIADRO CC[C@H](C[N@H+](C)Cc1ccc(C(=O)N(C)C)[nH]1)Oc1ccc(Cl)c(Cl)c1 ZINC000191617492 823714423 /nfs/dbraw/zinc/71/44/23/823714423.db2.gz MWVSVEHJFSEZNL-CQSZACIVSA-N 1 0 398.334 4.313 20 0 GIADRO CC(C)CN(C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@H]1CCCc2cccnc21 ZINC000163495588 823715461 /nfs/dbraw/zinc/71/54/61/823715461.db2.gz VCBNYJOTJDTDGX-CTNGQTDRSA-N 1 0 384.568 4.144 20 0 GIADRO CCCN(CCC[NH+](C)C)C(=O)Nc1ccc2nc(-c3ccccn3)oc2c1 ZINC000191621238 823716541 /nfs/dbraw/zinc/71/65/41/823716541.db2.gz DUDCXSPUHMUVTK-UHFFFAOYSA-N 1 0 381.480 4.085 20 0 GIADRO CCCOc1c(C[NH2+]C2CCN(C(=O)c3ccccc3)CC2)cccc1OCC ZINC000191622818 823717083 /nfs/dbraw/zinc/71/70/83/823717083.db2.gz NWYDMRHKMHUQGB-UHFFFAOYSA-N 1 0 396.531 4.269 20 0 GIADRO COc1cc(O)c(C[NH2+][C@H](C)c2ccc(Br)cc2OC)cc1OC ZINC000191627189 823718063 /nfs/dbraw/zinc/71/80/63/823718063.db2.gz BFMDJSPVYUTOSW-LLVKDONJSA-N 1 0 396.281 4.031 20 0 GIADRO COc1cc(Br)ccc1[C@H](C)[NH2+]C1CCN(c2nccs2)CC1 ZINC000191631893 823719094 /nfs/dbraw/zinc/71/90/94/823719094.db2.gz JYTWSUQCOMHAIN-LBPRGKRZSA-N 1 0 396.354 4.234 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CCc3c2cccc3Cl)cc1 ZINC000163552049 823720368 /nfs/dbraw/zinc/72/03/68/823720368.db2.gz KUJYRRBLLCEDDM-DJJJIMSYSA-N 1 0 378.925 4.440 20 0 GIADRO CC[C@@H](CNC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)CC(F)(F)F ZINC000413177302 823721618 /nfs/dbraw/zinc/72/16/18/823721618.db2.gz HFQCOSYBZFEHHP-MRXNPFEDSA-N 1 0 385.474 4.176 20 0 GIADRO CC1CC[NH+](Cc2cccc(CNC(=O)c3cnc([C@H]4CCCO4)s3)c2)CC1 ZINC000125827592 823722097 /nfs/dbraw/zinc/72/20/97/823722097.db2.gz LXNRJUMJTUDOBI-LJQANCHMSA-N 1 0 399.560 4.157 20 0 GIADRO CC[NH+](CC)CCO[C@@H]1CCN(c2nc(C(F)F)nc3ccc(Cl)cc32)C1 ZINC000413180955 823722525 /nfs/dbraw/zinc/72/25/25/823722525.db2.gz JEJAFZMARXSDFG-CQSZACIVSA-N 1 0 398.885 4.158 20 0 GIADRO CCCN(CCC[NH+](C)C)C(=O)Nc1nc(-c2ccccc2Cl)ns1 ZINC000191648046 823723558 /nfs/dbraw/zinc/72/35/58/823723558.db2.gz UUXZRNVLMSICGR-UHFFFAOYSA-N 1 0 381.933 4.054 20 0 GIADRO Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+][C@H]1CCN(CC(F)(F)F)C1 ZINC000125835264 823723687 /nfs/dbraw/zinc/72/36/87/823723687.db2.gz ODMSWXVXQWIJGO-CJNGLKHVSA-N 1 0 383.483 4.330 20 0 GIADRO Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+][C@@H]1CCN(CC(F)(F)F)C1 ZINC000125834767 823723715 /nfs/dbraw/zinc/72/37/15/823723715.db2.gz ODMSWXVXQWIJGO-CZUORRHYSA-N 1 0 383.483 4.330 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)N(C)Cc1ccc(OC)c(Cl)c1)c1ccco1 ZINC000413186695 823723966 /nfs/dbraw/zinc/72/39/66/823723966.db2.gz PSXFUQJFLFKNGM-QGZVFWFLSA-N 1 0 393.915 4.166 20 0 GIADRO Cc1ccc(-c2nnc(N3CC[NH+](C4CCCC4)CC3)n2Cc2cccs2)o1 ZINC000574417963 823724371 /nfs/dbraw/zinc/72/43/71/823724371.db2.gz RJAIHWJBMPIGAM-UHFFFAOYSA-N 1 0 397.548 4.021 20 0 GIADRO CC(C)NC(=O)c1ccc(NC(=O)c2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000413197518 823725447 /nfs/dbraw/zinc/72/54/47/823725447.db2.gz PHZXHCYOENSVIZ-UHFFFAOYSA-N 1 0 379.504 4.063 20 0 GIADRO Cc1ccc(-c2cnc(CCC(=O)NC[C@@H]3CCC[N@@H+](CC(C)C)C3)o2)cc1 ZINC000163585553 823725565 /nfs/dbraw/zinc/72/55/65/823725565.db2.gz MPQSTCASKDOXIY-IBGZPJMESA-N 1 0 383.536 4.067 20 0 GIADRO O=C(NC[C@H](Cc1ccccc1)C(F)(F)F)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000574424931 823726240 /nfs/dbraw/zinc/72/62/40/823726240.db2.gz LRHUKLBIXGSOLQ-HNNXBMFYSA-N 1 0 395.400 4.014 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1cccc(-c2ccncc2)c1 ZINC000125857426 823730164 /nfs/dbraw/zinc/73/01/64/823730164.db2.gz FTMAYTWRRUCAGL-KRWDZBQOSA-N 1 0 380.513 4.144 20 0 GIADRO Fc1ccc(OC2CC[NH+](Cc3ccc(OCc4ccncc4)cc3)CC2)cn1 ZINC000191680681 823731565 /nfs/dbraw/zinc/73/15/65/823731565.db2.gz AFLKSFPVRSZCTI-UHFFFAOYSA-N 1 0 393.462 4.238 20 0 GIADRO Cc1ccc([C@H](OC[C@H](O)C[NH2+][C@H]2CCO[C@H](C3CC3)C2)c2ccccc2)cc1 ZINC000574446144 823732655 /nfs/dbraw/zinc/73/26/55/823732655.db2.gz REQTUMSPNZIROZ-FQUZAXHOSA-N 1 0 395.543 4.009 20 0 GIADRO C[C@H](CCc1ccco1)NC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000574447786 823733183 /nfs/dbraw/zinc/73/31/83/823733183.db2.gz SKNKGMBPHQVFBX-TZIWHRDSSA-N 1 0 383.536 4.202 20 0 GIADRO Cc1noc(C2CCC([NH2+]C/C=C\c3ccc(Br)cc3)CC2)n1 ZINC000574459882 823735734 /nfs/dbraw/zinc/73/57/34/823735734.db2.gz MPJXNLMZFWYAPU-IHWYPQMZSA-N 1 0 376.298 4.470 20 0 GIADRO O=C(NCCOc1ccc(C(F)(F)F)cc1)c1cccc(C[NH+]2CCCC2)c1 ZINC000064026683 823736387 /nfs/dbraw/zinc/73/63/87/823736387.db2.gz KFKZXKVGJXXIPL-UHFFFAOYSA-N 1 0 392.421 4.110 20 0 GIADRO O=C(c1cccc(C[NH+]2CCCC2)c1)N(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000064027709 823736609 /nfs/dbraw/zinc/73/66/09/823736609.db2.gz CHGSLFBCLHWPIQ-QHCPKHFHSA-N 1 0 378.516 4.104 20 0 GIADRO O=C(c1cccc(C[NH+]2CCCC2)c1)N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000064027694 823736723 /nfs/dbraw/zinc/73/67/23/823736723.db2.gz IUTYDTQQTIBADX-UHFFFAOYSA-N 1 0 388.515 4.179 20 0 GIADRO C[C@H]([NH2+][C@@H](CN1CCOCC1)c1ccccc1)c1ccc(Br)s1 ZINC000163687808 823737338 /nfs/dbraw/zinc/73/73/38/823737338.db2.gz OIUHFIOMFITTPY-HOCLYGCPSA-N 1 0 395.366 4.235 20 0 GIADRO C[C@@H](Oc1cccnc1NC(=O)N1CCC[C@@H]([NH+](C)C)CC1)c1ccccc1 ZINC000574467872 823737972 /nfs/dbraw/zinc/73/79/72/823737972.db2.gz RTLZJUZZHIVZLM-IEBWSBKVSA-N 1 0 382.508 4.170 20 0 GIADRO Cc1nc(C(F)(F)F)sc1C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000461885774 823738689 /nfs/dbraw/zinc/73/86/89/823738689.db2.gz AOQBBYSUUAWTIT-CQSZACIVSA-N 1 0 383.439 4.037 20 0 GIADRO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)N1CCC(CC(F)(F)F)CC1 ZINC000574470583 823738881 /nfs/dbraw/zinc/73/88/81/823738881.db2.gz WHYRYRIRZVLWNL-QGZVFWFLSA-N 1 0 375.479 4.158 20 0 GIADRO C[C@@H]([NH2+][C@H](CN1CCOCC1)c1ccccc1)c1ccccc1OC(F)F ZINC000163699887 823739365 /nfs/dbraw/zinc/73/93/65/823739365.db2.gz SIEPDLRJNYPYCP-VQIMIIECSA-N 1 0 376.447 4.012 20 0 GIADRO C[NH+](C)Cc1ccc(S(=O)(=O)NC2(c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000461888751 823739655 /nfs/dbraw/zinc/73/96/55/823739655.db2.gz IRZABCLQKTZMQW-UHFFFAOYSA-N 1 0 399.343 4.023 20 0 GIADRO CC(C)[NH+]1CCC(C(=O)Nc2ccccc2-c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000461889349 823739770 /nfs/dbraw/zinc/73/97/70/823739770.db2.gz LOWPOCYQRKLXKL-UHFFFAOYSA-N 1 0 389.503 4.198 20 0 GIADRO CC(C)c1c(NC(=O)NCC2CC[NH+](C)CC2)cnn1-c1ccc(Cl)cc1 ZINC000191700245 823740034 /nfs/dbraw/zinc/74/00/34/823740034.db2.gz YCKOWXPVFOSRFO-UHFFFAOYSA-N 1 0 389.931 4.112 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1cc(Cl)ccc1Br)c1ccccc1 ZINC000125900120 823740206 /nfs/dbraw/zinc/74/02/06/823740206.db2.gz WIYWOINABQNQFE-INIZCTEOSA-N 1 0 381.701 4.135 20 0 GIADRO COc1cc2c(cc1F)[nH+]ccc2N1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000461892260 823740796 /nfs/dbraw/zinc/74/07/96/823740796.db2.gz ZJXYUUGOPQYNJI-HSZRJFAPSA-N 1 0 380.463 4.204 20 0 GIADRO c1ccc([C@H](CN2CCOCC2)[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)cc1 ZINC000163719836 823741699 /nfs/dbraw/zinc/74/16/99/823741699.db2.gz JDBZZRMTGMVTIT-VXKWHMMOSA-N 1 0 378.516 4.096 20 0 GIADRO CSc1ccc([C@@H](CNC(=O)[C@@H](C)c2c(F)cccc2F)[NH+](C)C)cc1 ZINC000574480155 823741755 /nfs/dbraw/zinc/74/17/55/823741755.db2.gz KTSZAKAAOGLNBB-SCLBCKFNSA-N 1 0 378.488 4.209 20 0 GIADRO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@@H](CN1CCOCC1)c1ccccc1 ZINC000163724177 823742050 /nfs/dbraw/zinc/74/20/50/823742050.db2.gz YNILKMGPMWYGJF-LPHOPBHVSA-N 1 0 387.593 4.473 20 0 GIADRO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+][C@@H](CN1CCOCC1)c1ccccc1 ZINC000163724083 823742164 /nfs/dbraw/zinc/74/21/64/823742164.db2.gz YNILKMGPMWYGJF-APWZRJJASA-N 1 0 387.593 4.473 20 0 GIADRO C[C@@H](C(=O)NC[C@H](c1ccsc1)[NH+](C)C)c1cccc(Br)c1 ZINC000461895905 823742797 /nfs/dbraw/zinc/74/27/97/823742797.db2.gz CXSJCQDGPQCOHZ-MLGOLLRUSA-N 1 0 381.339 4.033 20 0 GIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2cccnc2C(F)(F)F)C1 ZINC000574482904 823742919 /nfs/dbraw/zinc/74/29/19/823742919.db2.gz XLEQYNRLLPBKCG-ZFWWWQNUSA-N 1 0 378.398 4.057 20 0 GIADRO COc1ccc(C[NH2+]C[C@](C)(Cc2ccccc2)[C@@H](C)O)cc1OC(F)F ZINC000191709971 823743687 /nfs/dbraw/zinc/74/36/87/823743687.db2.gz ZWBGDCKXZIZMEW-VFNWGFHPSA-N 1 0 379.447 4.016 20 0 GIADRO COc1cccc(C[NH2+]C[C@@](C)(Cc2ccccc2)[C@@H](C)O)c1OC(F)F ZINC000191711830 823744308 /nfs/dbraw/zinc/74/43/08/823744308.db2.gz JWMCURXOWLCEOX-QVKFZJNVSA-N 1 0 379.447 4.016 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+][C@@H](CN2CCOCC2)c2ccccc2)cc1OCC ZINC000163745145 823744395 /nfs/dbraw/zinc/74/43/95/823744395.db2.gz BOFBKKVTJAZKJJ-KNQAVFIVSA-N 1 0 398.547 4.208 20 0 GIADRO Cc1ccncc1CCC[NH2+]C[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000574486327 823744919 /nfs/dbraw/zinc/74/49/19/823744919.db2.gz ZTENXAPBGVJGEM-GHTZIAJQSA-N 1 0 375.919 4.398 20 0 GIADRO Cc1cc(Br)cn2cc(CC[NH2+][C@H](C)c3ccc(F)cc3)nc12 ZINC000574487364 823744937 /nfs/dbraw/zinc/74/49/37/823744937.db2.gz HFRHYVVXWPYTRP-CYBMUJFWSA-N 1 0 376.273 4.438 20 0 GIADRO Clc1cccc2c1SCC[C@H]2[NH2+]Cc1cccc(CN2CCOCC2)c1 ZINC000163751566 823745258 /nfs/dbraw/zinc/74/52/58/823745258.db2.gz HKVWDZMDHAVYPH-HXUWFJFHSA-N 1 0 388.964 4.499 20 0 GIADRO CC[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccncc1 ZINC000163772342 823746847 /nfs/dbraw/zinc/74/68/47/823746847.db2.gz CPUZFHIJQMAZQF-LAUBAEHRSA-N 1 0 387.549 4.058 20 0 GIADRO COc1ccc([C@H](C)[NH2+]Cc2cccc(OCC(=O)N(C)C)c2)c2ccccc12 ZINC000163783549 823748617 /nfs/dbraw/zinc/74/86/17/823748617.db2.gz OKXNALCMZSJSDC-KRWDZBQOSA-N 1 0 392.499 4.166 20 0 GIADRO COc1ccc([C@@H]([NH2+][C@@H](C)c2ccc(-n3cnnn3)cc2)c2ccc(C)cc2)cc1 ZINC000163789368 823748645 /nfs/dbraw/zinc/74/86/45/823748645.db2.gz UQZDUXWHFLCALT-UUOWRZLLSA-N 1 0 399.498 4.420 20 0 GIADRO COCCOCc1ccc(C(=O)Nc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)cc1 ZINC000461909035 823749978 /nfs/dbraw/zinc/74/99/78/823749978.db2.gz HWTKXIFUMPRFNT-LJQANCHMSA-N 1 0 396.531 4.476 20 0 GIADRO FC(F)(F)c1ccc2c(c1)[nH+]ccc2N1CCC(OC[C@H]2CCCO2)CC1 ZINC000125946134 823750628 /nfs/dbraw/zinc/75/06/28/823750628.db2.gz VLYSFNAMLRGOHT-MRXNPFEDSA-N 1 0 380.410 4.418 20 0 GIADRO Cc1cc(C(=O)N2CC[NH+](CC3CCCCC3)CC2)c(C)n1CC(F)(F)F ZINC000064126675 823751146 /nfs/dbraw/zinc/75/11/46/823751146.db2.gz RKDNQSQZJWGXJO-UHFFFAOYSA-N 1 0 385.474 4.005 20 0 GIADRO COCCOCc1ccc(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)cc1 ZINC000461913995 823751977 /nfs/dbraw/zinc/75/19/77/823751977.db2.gz CATLAPFPJFLOAN-UHFFFAOYSA-N 1 0 396.531 4.130 20 0 GIADRO C[C@H](C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)c1cccc(Br)c1 ZINC000461915198 823752392 /nfs/dbraw/zinc/75/23/92/823752392.db2.gz DVXLVRQWCTXDFF-HOTGVXAUSA-N 1 0 381.358 4.323 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1ccc(SC(F)F)cc1 ZINC000163831261 823752615 /nfs/dbraw/zinc/75/26/15/823752615.db2.gz QKKGLGVNOWEIAA-CQSZACIVSA-N 1 0 394.487 4.319 20 0 GIADRO CC(=O)c1ccc2c(c1)CN(C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)C2 ZINC000413324348 823752848 /nfs/dbraw/zinc/75/28/48/823752848.db2.gz IZYZVQMDRZTJEB-UWJYYQICSA-N 1 0 397.544 4.059 20 0 GIADRO COc1cncc(/C=C/CC[N@H+](C)Cc2cc(OC)c(OC)cc2SC)c1 ZINC000574516214 823753301 /nfs/dbraw/zinc/75/33/01/823753301.db2.gz WFPWOKYCQSKKGD-SOFGYWHQSA-N 1 0 388.533 4.365 20 0 GIADRO Cc1cc(N2CC[NH+]([C@H](C)c3ccc(OC(F)F)cc3)CC2)nc(C(C)C)n1 ZINC000064139572 823753512 /nfs/dbraw/zinc/75/35/12/823753512.db2.gz IWDWMNRWKRZVGO-MRXNPFEDSA-N 1 0 390.478 4.393 20 0 GIADRO CCCN(CC[NH+](CC)CC)C(=O)Nc1cccc2c1CN(c1ccccn1)C2 ZINC000461918388 823753837 /nfs/dbraw/zinc/75/38/37/823753837.db2.gz KUMWUOZPPQJXLV-UHFFFAOYSA-N 1 0 395.551 4.188 20 0 GIADRO C[C@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCC(CC(=O)N2CCCC2)CC1 ZINC000064141841 823754017 /nfs/dbraw/zinc/75/40/17/823754017.db2.gz MZAXJKKMEHKHPO-OAHLLOKOSA-N 1 0 384.442 4.371 20 0 GIADRO CC(C)C(=O)NC1CC[NH+](Cc2ccc(OCc3ccc(F)cc3)cc2)CC1 ZINC000064141625 823754244 /nfs/dbraw/zinc/75/42/44/823754244.db2.gz VNJOFWRHBAGVJL-UHFFFAOYSA-N 1 0 384.495 4.141 20 0 GIADRO CC(C)[NH+](CCCNC(=O)N1CC2(CCOCC2)[C@@H]1c1ccccc1)C(C)C ZINC000413339621 823755479 /nfs/dbraw/zinc/75/54/79/823755479.db2.gz QHKFFNNWAQRDRV-NRFANRHFSA-N 1 0 387.568 4.059 20 0 GIADRO C[C@H]1C[C@H](NC(=O)NCc2cnccc2C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000413351059 823757067 /nfs/dbraw/zinc/75/70/67/823757067.db2.gz AGBKLPPMPSPVSU-GHTZIAJQSA-N 1 0 394.563 4.231 20 0 GIADRO CCOc1ccccc1Oc1ccc(CNC2CC[NH+](CC3CC3)CC2)cn1 ZINC000163888250 823757684 /nfs/dbraw/zinc/75/76/84/823757684.db2.gz LZGNGLFFEORNLK-UHFFFAOYSA-N 1 0 381.520 4.237 20 0 GIADRO CC[C@H](CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)CC(F)(F)F ZINC000413354030 823758054 /nfs/dbraw/zinc/75/80/54/823758054.db2.gz QAHDFPXGZNIGKB-XYJFISCASA-N 1 0 385.474 4.175 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]Cc1ccc(N2CCCC2=O)cc1 ZINC000163894295 823758111 /nfs/dbraw/zinc/75/81/11/823758111.db2.gz RDRZKNRMKVCPJM-HNNXBMFYSA-N 1 0 392.528 4.491 20 0 GIADRO CCC[N@H+](CC)Cc1ccc(-c2nc(CC(=O)Nc3ccccc3C)no2)cc1 ZINC000574543393 823759903 /nfs/dbraw/zinc/75/99/03/823759903.db2.gz XYSURWMHAFDTHI-UHFFFAOYSA-N 1 0 392.503 4.458 20 0 GIADRO O=C(Nc1cc(F)ccc1OCC1CC1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000191766036 823760616 /nfs/dbraw/zinc/76/06/16/823760616.db2.gz AMTSJEQPGJLNFS-OXJNMPFZSA-N 1 0 387.499 4.095 20 0 GIADRO C[C@@H]([NH3+])c1ccc(CNC(=O)N2CCn3c(cc4ccc(Cl)cc43)C2)cc1 ZINC000574549157 823761779 /nfs/dbraw/zinc/76/17/79/823761779.db2.gz NWBHIESBZJBBSG-CQSZACIVSA-N 1 0 382.895 4.040 20 0 GIADRO Cc1ccc(C(=O)N[C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)c(Cl)c1 ZINC000191770727 823762350 /nfs/dbraw/zinc/76/23/50/823762350.db2.gz VURXKVWQAVIQMW-IBGZPJMESA-N 1 0 384.907 4.366 20 0 GIADRO CC(C)[N@@H+]1CCC[C@H](CN[C@@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)C1 ZINC000125994569 823762457 /nfs/dbraw/zinc/76/24/57/823762457.db2.gz VUBPXHAJBRHZEU-RBUKOAKNSA-N 1 0 392.609 4.174 20 0 GIADRO Cc1nc(C(F)(F)F)sc1C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000461931168 823762495 /nfs/dbraw/zinc/76/24/95/823762495.db2.gz LTTNMVXSQZHYBN-GXTWGEPZSA-N 1 0 383.439 4.036 20 0 GIADRO CS(=O)(=O)C1CCC([NH2+][C@H](Cc2ccccc2F)c2ccccc2)CC1 ZINC000191773630 823763630 /nfs/dbraw/zinc/76/36/30/823763630.db2.gz HYDGLPDNUJHOTH-GZNCHQMQSA-N 1 0 375.509 4.055 20 0 GIADRO C[C@H](CNC(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)CC(F)(F)F ZINC000413381530 823764228 /nfs/dbraw/zinc/76/42/28/823764228.db2.gz KRPAAXXJJGQIRP-ARFHVFGLSA-N 1 0 385.474 4.031 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)N[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000163948237 823764380 /nfs/dbraw/zinc/76/43/80/823764380.db2.gz PRPSJJFBZAJOKX-PKTZIBPZSA-N 1 0 393.531 4.002 20 0 GIADRO C[C@H](C(=O)Nc1ccccc1NC(=O)Cc1cccs1)[NH+]1[C@H](C)CC[C@H]1C ZINC000413384983 823765284 /nfs/dbraw/zinc/76/52/84/823765284.db2.gz GDBSDVYQBHHVPY-BZUAXINKSA-N 1 0 385.533 4.129 20 0 GIADRO O=C(NC1(c2ccc(F)cc2)CCOCC1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000413387243 823765566 /nfs/dbraw/zinc/76/55/66/823765566.db2.gz NPMKFGYSFUNZDH-UHFFFAOYSA-N 1 0 396.506 4.247 20 0 GIADRO CC(C)[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000461939416 823766264 /nfs/dbraw/zinc/76/62/64/823766264.db2.gz WRYQZRSMELEULD-FQEVSTJZSA-N 1 0 378.944 4.220 20 0 GIADRO FC(F)(F)CC[N@H+](Cc1ccccc1)Cc1ccccc1N1CCOCC1 ZINC000191782959 823766773 /nfs/dbraw/zinc/76/67/73/823766773.db2.gz NFRGQGCLJMHOPH-UHFFFAOYSA-N 1 0 378.438 4.478 20 0 GIADRO O=C(Nc1nnc(-c2cc3ccccc3o2)s1)N1CCC([NH+]2CCCC2)CC1 ZINC000191789229 823769001 /nfs/dbraw/zinc/76/90/01/823769001.db2.gz GOEOSIOCIDUUSW-UHFFFAOYSA-N 1 0 397.504 4.043 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(NC(=O)C2CCCC2)c1)c1ccc([S@](C)=O)cc1 ZINC000126045802 823773755 /nfs/dbraw/zinc/77/37/55/823773755.db2.gz JMHDQPGDYBCIMR-RKOGDMNLSA-N 1 0 384.545 4.404 20 0 GIADRO CN(C)[C@@H](C[NH2+]CCC(=O)Nc1cccc(Cl)c1)c1ccccc1Cl ZINC000574596951 823775888 /nfs/dbraw/zinc/77/58/88/823775888.db2.gz KNIVLSVCDQIIPO-SFHVURJKSA-N 1 0 380.319 4.215 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CSCc1cscn1 ZINC000126058673 823777516 /nfs/dbraw/zinc/77/75/16/823777516.db2.gz GNUZEICFLFCLFW-INIZCTEOSA-N 1 0 389.590 4.067 20 0 GIADRO CCOCc1ccccc1C[NH2+][C@@H](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000126065178 823778284 /nfs/dbraw/zinc/77/82/84/823778284.db2.gz XNVIRJTWXNRBCF-HNNXBMFYSA-N 1 0 390.911 4.392 20 0 GIADRO Cc1cc([C@](C)(O)C[NH2+]C2CCN(Cc3ccccc3Cl)CC2)c(C)o1 ZINC000164105951 823778289 /nfs/dbraw/zinc/77/82/89/823778289.db2.gz FGRYKSZGTRGLKK-OAQYLSRUSA-N 1 0 376.928 4.012 20 0 GIADRO CC(=O)NCC[C@H]1CCC[N@H+](Cc2cccc(OCc3ccc(F)cc3)c2)C1 ZINC000574607220 823779576 /nfs/dbraw/zinc/77/95/76/823779576.db2.gz QIRQJZPERZVMBS-LJQANCHMSA-N 1 0 384.495 4.143 20 0 GIADRO CCC1CCC(N(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)C2CC2)CC1 ZINC000461977001 823779587 /nfs/dbraw/zinc/77/95/87/823779587.db2.gz JTJZBQWFSXFTEX-UHFFFAOYSA-N 1 0 383.580 4.007 20 0 GIADRO O=C(NCCc1c[nH]c2cc(F)ccc12)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000461980854 823781008 /nfs/dbraw/zinc/78/10/08/823781008.db2.gz DITAGNGLNUGZSN-QFIPXVFZSA-N 1 0 379.479 4.020 20 0 GIADRO CC(C)[C@H](C[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1)c1cccnc1 ZINC000164143022 823781287 /nfs/dbraw/zinc/78/12/87/823781287.db2.gz QLKBTOXNDQCNQL-AVRDEDQJSA-N 1 0 378.520 4.485 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)N2CCC[C@H](Nc3ccccc3)C2)cc1)C1CC1 ZINC000164149444 823781563 /nfs/dbraw/zinc/78/15/63/823781563.db2.gz UNIDGHOTKKPTEJ-QFIPXVFZSA-N 1 0 377.532 4.388 20 0 GIADRO CC[C@H]1c2ccccc2CCN1C(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000164212854 823786418 /nfs/dbraw/zinc/78/64/18/823786418.db2.gz OVLGKKYHVQRETM-DEOSSOPVSA-N 1 0 392.543 4.041 20 0 GIADRO CC[NH+](CC)Cc1ccc(NS(=O)(=O)Cc2ccc(F)c(Cl)c2)cc1 ZINC000574633008 823786741 /nfs/dbraw/zinc/78/67/41/823786741.db2.gz ATBNYZLVPNAXLM-UHFFFAOYSA-N 1 0 384.904 4.263 20 0 GIADRO C[C@@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1)c1cnc2ccsc2c1 ZINC000191831543 823789096 /nfs/dbraw/zinc/78/90/96/823789096.db2.gz AIPSZPHHYKPHHR-XLIONFOSSA-N 1 0 381.545 4.238 20 0 GIADRO CC[C@H](Cc1ccccc1Br)C(=O)N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000413506655 823789115 /nfs/dbraw/zinc/78/91/15/823789115.db2.gz VXPZEVBKSFNIOX-NUJGCVRESA-N 1 0 395.385 4.349 20 0 GIADRO CC[C@H]([NH2+][C@@H](CCSC)c1nnc2ccccn21)c1ccc2c(c1)CCO2 ZINC000164252446 823789636 /nfs/dbraw/zinc/78/96/36/823789636.db2.gz OEUQMHGSQIOMHZ-ROUUACIJSA-N 1 0 382.533 4.199 20 0 GIADRO C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1cccnc1Oc1cccc(S(C)(=O)=O)c1 ZINC000164248021 823789965 /nfs/dbraw/zinc/78/99/65/823789965.db2.gz GBEACNPUSPQQAU-HZPDHXFCSA-N 1 0 388.533 4.192 20 0 GIADRO CCCC[C@@H]1CCC[C@H]1[NH2+]Cc1nc(-c2cc(OC)c(OC)c(OC)c2)no1 ZINC000191833492 823790205 /nfs/dbraw/zinc/79/02/05/823790205.db2.gz UHSJCWICKIZKEH-GDBMZVCRSA-N 1 0 389.496 4.211 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc3c(c2)CCC3=O)[C@@H]1c1cccs1 ZINC000574649329 823790501 /nfs/dbraw/zinc/79/05/01/823790501.db2.gz DVFWFQLNRDRTJI-FOIQADDNSA-N 1 0 383.517 4.082 20 0 GIADRO CCc1nc2cc(C[NH2+][C@H](C)CC(=O)N3CCCCCC3)ccc2n1C1CC1 ZINC000574654703 823791717 /nfs/dbraw/zinc/79/17/17/823791717.db2.gz HDIPUAGTIHJIPU-QGZVFWFLSA-N 1 0 382.552 4.204 20 0 GIADRO O=C(NC1CC([NH+]2CCCCC2)C1)N[C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000413523819 823791647 /nfs/dbraw/zinc/79/16/47/823791647.db2.gz YRQHXMGJOYFKJG-OVZGMEQFSA-N 1 0 375.944 4.292 20 0 GIADRO Fc1ccc2c(c1)CCN2C1CC[NH+](Cc2cc(-n3ccnc3)cs2)CC1 ZINC000574655313 823792053 /nfs/dbraw/zinc/79/20/53/823792053.db2.gz UYJPQXZWIKRARA-UHFFFAOYSA-N 1 0 382.508 4.100 20 0 GIADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCC(c2nc3cccc(C)c3o2)CC1 ZINC000462008178 823792509 /nfs/dbraw/zinc/79/25/09/823792509.db2.gz HOPZHEHJEMAAKZ-QGZVFWFLSA-N 1 0 386.540 4.146 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CN[C@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000574657395 823792529 /nfs/dbraw/zinc/79/25/29/823792529.db2.gz MTXYSFNMEGSRIS-HXOBKFHXSA-N 1 0 393.510 4.197 20 0 GIADRO Cc1cc(F)c(C(=O)Nc2ccc(C[NH+]3CCSCC3)cc2C)cc1F ZINC000126118680 823792530 /nfs/dbraw/zinc/79/25/30/823792530.db2.gz XXQQJGCSEPAUSJ-UHFFFAOYSA-N 1 0 376.472 4.383 20 0 GIADRO C[C@H]1CCC[C@@H]([NH+]2CCC(NCc3nccn3CCc3ccccc3)CC2)C1 ZINC000164278472 823792640 /nfs/dbraw/zinc/79/26/40/823792640.db2.gz PKOAPRYAKOHPKC-NZQKXSOJSA-N 1 0 380.580 4.259 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CN[C@@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000574657397 823792938 /nfs/dbraw/zinc/79/29/38/823792938.db2.gz MTXYSFNMEGSRIS-UZUQRXQVSA-N 1 0 393.510 4.197 20 0 GIADRO O=C(NCCCc1c[nH]c2ccccc12)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000462015285 823795074 /nfs/dbraw/zinc/79/50/74/823795074.db2.gz NYLAQYICUMGJLH-QHCPKHFHSA-N 1 0 375.516 4.271 20 0 GIADRO COCCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)cc1OC ZINC000191855662 823796847 /nfs/dbraw/zinc/79/68/47/823796847.db2.gz PZNHRNHSCAOOLN-NYDSKATKSA-N 1 0 385.504 4.149 20 0 GIADRO C[C@H]1CN(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)C[C@@H](c2ccsc2)O1 ZINC000164349293 823797765 /nfs/dbraw/zinc/79/77/65/823797765.db2.gz WPCYAYGKRYVABZ-UWJYYQICSA-N 1 0 399.560 4.016 20 0 GIADRO CC[N@H+](CCN1CCOC1=O)Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000064348578 823797692 /nfs/dbraw/zinc/79/76/92/823797692.db2.gz SWGKHLVAURUOHJ-UHFFFAOYSA-N 1 0 382.382 4.240 20 0 GIADRO Cc1nc2ccc(C(=O)Nc3cccc(C[NH+]4CCC(CO)CC4)c3)cc2s1 ZINC000574677167 823797848 /nfs/dbraw/zinc/79/78/48/823797848.db2.gz NEOYUZYNPKAWMH-UHFFFAOYSA-N 1 0 395.528 4.061 20 0 GIADRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)c2C1 ZINC000191862865 823798658 /nfs/dbraw/zinc/79/86/58/823798658.db2.gz LATQKAWOBXEELF-JKSUJKDBSA-N 1 0 389.540 4.146 20 0 GIADRO COc1ccc(CNc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)cc1OC ZINC000126144186 823798793 /nfs/dbraw/zinc/79/87/93/823798793.db2.gz PNFAYKURHIIAMN-UHFFFAOYSA-N 1 0 397.519 4.130 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)c1c[nH]c2cc(Cl)ccc12 ZINC000064354930 823799582 /nfs/dbraw/zinc/79/95/82/823799582.db2.gz AAKIDWSPWXCLPH-UHFFFAOYSA-N 1 0 399.922 4.472 20 0 GIADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C[C@H](C)c2ccc(F)c(Br)c2)C1 ZINC000462025231 823799935 /nfs/dbraw/zinc/79/99/35/823799935.db2.gz HJAVJXVCADQUIA-GJZGRUSLSA-N 1 0 399.348 4.318 20 0 GIADRO CSC1(CNC(=O)N(C)[C@@H]2CCCC[C@@H]2c2ccccc2)CC[NH+](C)CC1 ZINC000413578936 823800073 /nfs/dbraw/zinc/80/00/73/823800073.db2.gz KEYUNTMUGUABFS-WOJBJXKFSA-N 1 0 389.609 4.182 20 0 GIADRO Cc1c2cccc(Cl)c2[nH]c1C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000413579734 823800177 /nfs/dbraw/zinc/80/01/77/823800177.db2.gz ZGLUHEHGFDPUGE-UHFFFAOYSA-N 1 0 397.906 4.339 20 0 GIADRO CCOCCC1(CNC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)CCC1 ZINC000126150774 823800339 /nfs/dbraw/zinc/80/03/39/823800339.db2.gz JHFKVXISZAIALP-LJQANCHMSA-N 1 0 387.568 4.108 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccsc2)CC1)c1ccc(F)cc1C(F)(F)F ZINC000126158603 823802585 /nfs/dbraw/zinc/80/25/85/823802585.db2.gz LVCYZCFGQRAJOO-UHFFFAOYSA-N 1 0 386.414 4.300 20 0 GIADRO Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@H](C)c3ccc(C)c(C)c3)CC2)cc1 ZINC000462030814 823803012 /nfs/dbraw/zinc/80/30/12/823803012.db2.gz JDOHOKDSLBYSPF-LJQANCHMSA-N 1 0 386.561 4.116 20 0 GIADRO COc1ccc(CNc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)c(OC)c1 ZINC000126162904 823803245 /nfs/dbraw/zinc/80/32/45/823803245.db2.gz ZFWIPIODTDJBQI-UHFFFAOYSA-N 1 0 397.519 4.130 20 0 GIADRO Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@@H](C)c3ccc(C)c(C)c3)CC2)cc1 ZINC000462030812 823803203 /nfs/dbraw/zinc/80/32/03/823803203.db2.gz JDOHOKDSLBYSPF-IBGZPJMESA-N 1 0 386.561 4.116 20 0 GIADRO CCCC[NH+]1CCC(N[C@@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)CC1 ZINC000164496813 823805375 /nfs/dbraw/zinc/80/53/75/823805375.db2.gz PZZJDZJQIKNLMW-SFHVURJKSA-N 1 0 392.609 4.318 20 0 GIADRO CC[C@H](NC(=O)CC[NH+]1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000462038831 823807128 /nfs/dbraw/zinc/80/71/28/823807128.db2.gz MFEPCLPICNOUOZ-NRFANRHFSA-N 1 0 385.939 4.120 20 0 GIADRO CC[C@@H](C)[NH2+][C@H](CNC(=O)c1c(C)nn(-c2ccc(F)cc2)c1C)c1ccco1 ZINC000574715955 823807012 /nfs/dbraw/zinc/80/70/12/823807012.db2.gz LVIYRCVIFMNHFN-AUUYWEPGSA-N 1 0 398.482 4.080 20 0 GIADRO COc1cccc2c1OC[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccccc1C(C)C)C2 ZINC000164524324 823807078 /nfs/dbraw/zinc/80/70/78/823807078.db2.gz ZJMODZOLPWFZOM-WMZOPIPTSA-N 1 0 382.504 4.129 20 0 GIADRO COc1cccc2c1OC[C@H]([NH2+][C@@H](C)CC(=O)Nc1ccccc1C(C)C)C2 ZINC000164524070 823807104 /nfs/dbraw/zinc/80/71/04/823807104.db2.gz ZJMODZOLPWFZOM-FUHWJXTLSA-N 1 0 382.504 4.129 20 0 GIADRO C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+][C@H]1CCc2ccccc2C1 ZINC000462039350 823807200 /nfs/dbraw/zinc/80/72/00/823807200.db2.gz IMCIYUQQLQCBAH-GCJKJVERSA-N 1 0 377.532 4.151 20 0 GIADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)c1c(C)nn(-c2ccc(F)cc2)c1C)c1ccco1 ZINC000574715958 823807247 /nfs/dbraw/zinc/80/72/47/823807247.db2.gz LVIYRCVIFMNHFN-LIRRHRJNSA-N 1 0 398.482 4.080 20 0 GIADRO CC(C)CC(=O)Nc1ccc(NC(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000126184709 823807447 /nfs/dbraw/zinc/80/74/47/823807447.db2.gz CZHDKIIZKIPSDC-HXUWFJFHSA-N 1 0 382.508 4.096 20 0 GIADRO C[C@@H]1OCC[C@@]12C[N@H+](Cc1ccc(OCc3ccc(F)cc3)cc1)C[C@@H](C)O2 ZINC000574716880 823807717 /nfs/dbraw/zinc/80/77/17/823807717.db2.gz XIHDPEJDRSJSHT-IEGUWTFLSA-N 1 0 385.479 4.173 20 0 GIADRO CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2ccc(COc3cc(C)ccc3C(C)C)cc2)C1 ZINC000191914274 823810475 /nfs/dbraw/zinc/81/04/75/823810475.db2.gz PVNZNQGIFCOJTD-PZJWPPBQSA-N 1 0 382.504 4.013 20 0 GIADRO COc1cccc(C[N@@H+](Cc2ccc(OC(F)F)cc2)C[C@@H]2CCCO2)c1 ZINC000064399953 823812138 /nfs/dbraw/zinc/81/21/38/823812138.db2.gz GASQVJVKAGFSQJ-FQEVSTJZSA-N 1 0 377.431 4.478 20 0 GIADRO CC[C@H](NC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000413657033 823812294 /nfs/dbraw/zinc/81/22/94/823812294.db2.gz WNXCFEITZRPWMY-QFIPXVFZSA-N 1 0 380.536 4.481 20 0 GIADRO Brc1ccn2cc(CNC[C@@H](c3ccccc3)[NH+]3CCCC3)nc2c1 ZINC000574729951 823812327 /nfs/dbraw/zinc/81/23/27/823812327.db2.gz WSNXKUVEHVZRGK-IBGZPJMESA-N 1 0 399.336 4.024 20 0 GIADRO Cc1ccc([C@@H](C[NH2+][C@@H](C)c2sc(C(C)C)nc2C)N2CCOCC2)o1 ZINC000164621996 823812594 /nfs/dbraw/zinc/81/25/94/823812594.db2.gz UQOCECXPOFQAPI-DOTOQJQBSA-N 1 0 377.554 4.200 20 0 GIADRO CCN(CC)C(=O)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccc(Cl)c1 ZINC000064411461 823813162 /nfs/dbraw/zinc/81/31/62/823813162.db2.gz AYKXAWXSEHPWAJ-UHFFFAOYSA-N 1 0 396.922 4.151 20 0 GIADRO Cc1nccn1CCCC[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000164628717 823813210 /nfs/dbraw/zinc/81/32/10/823813210.db2.gz ZSNRXCAQPXPAKH-KRWDZBQOSA-N 1 0 378.314 4.238 20 0 GIADRO Cc1ccc([C@H](C[NH2+][C@H](C)c2sc(C(C)C)nc2C)N2CCOCC2)o1 ZINC000164622367 823813237 /nfs/dbraw/zinc/81/32/37/823813237.db2.gz UQOCECXPOFQAPI-WBVHZDCISA-N 1 0 377.554 4.200 20 0 GIADRO COc1ccc(CN(C)C(=O)[C@H](C)[NH2+][C@H](C)c2cccc(Cl)c2)cc1OC ZINC000126220069 823814770 /nfs/dbraw/zinc/81/47/70/823814770.db2.gz LQNDDQVZMXBQQE-CABCVRRESA-N 1 0 390.911 4.055 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H](c2c(Cl)cccc2Cl)C2CC2)C1 ZINC000462055233 823814636 /nfs/dbraw/zinc/81/46/36/823814636.db2.gz PVQJOBHWRTZOOT-UGSOOPFHSA-N 1 0 384.351 4.428 20 0 GIADRO [NH3+][C@H]1CCC[C@H](CNC(=O)Nc2ccc3nc(Cc4ccccc4)oc3c2)C1 ZINC000574739647 823814954 /nfs/dbraw/zinc/81/49/54/823814954.db2.gz WLGIQOLTEQNYKN-IRXDYDNUSA-N 1 0 378.476 4.058 20 0 GIADRO CC(=O)c1ccc(OCCCC(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000126224515 823815978 /nfs/dbraw/zinc/81/59/78/823815978.db2.gz HGBIXKXZXUYLHD-UHFFFAOYSA-N 1 0 380.488 4.283 20 0 GIADRO CC[C@@H](C)n1ncc(C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)c1C1CC1 ZINC000126228690 823816361 /nfs/dbraw/zinc/81/63/61/823816361.db2.gz JQQADRBXOJWXEY-MOPGFXCFSA-N 1 0 394.563 4.468 20 0 GIADRO CCC(CC)[C@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)NC)cc1)c1cccs1 ZINC000164721759 823817256 /nfs/dbraw/zinc/81/72/56/823817256.db2.gz KXXOZULYPPGIMC-LIRRHRJNSA-N 1 0 380.579 4.484 20 0 GIADRO COc1ccc([C@H](C)N(C)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000126235385 823817537 /nfs/dbraw/zinc/81/75/37/823817537.db2.gz CEYOGDQSTIVEPP-PXNSSMCTSA-N 1 0 385.508 4.218 20 0 GIADRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)N[C@H]1CCc2sc(Cl)cc21 ZINC000462064221 823817741 /nfs/dbraw/zinc/81/77/41/823817741.db2.gz WXQGUJQFRULBPY-INIZCTEOSA-N 1 0 395.931 4.301 20 0 GIADRO COc1ccc(CN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(Cl)cc2)cc1OC ZINC000126236005 823817956 /nfs/dbraw/zinc/81/79/56/823817956.db2.gz ZVSUHUFVRWPCME-LSDHHAIUSA-N 1 0 390.911 4.055 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000126238343 823818357 /nfs/dbraw/zinc/81/83/57/823818357.db2.gz AQWFEAWPJBLOGU-QZTJIDSGSA-N 1 0 397.567 4.369 20 0 GIADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cccc(NC(=O)C2CCCCC2)c1 ZINC000064441799 823819469 /nfs/dbraw/zinc/81/94/69/823819469.db2.gz GBLNGSLOSINZFR-GOSISDBHSA-N 1 0 387.568 4.446 20 0 GIADRO Cn1cc2c(n1)CCC[C@H]2[NH2+]CC1(c2ccc(Br)s2)CCC1 ZINC000574764586 823820774 /nfs/dbraw/zinc/82/07/74/823820774.db2.gz YDXFXPBDGYLCQU-CYBMUJFWSA-N 1 0 380.355 4.333 20 0 GIADRO Cc1nc(C(F)(F)F)sc1C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000462078782 823821837 /nfs/dbraw/zinc/82/18/37/823821837.db2.gz IUDGMXMRQCLDHV-GXTWGEPZSA-N 1 0 389.487 4.197 20 0 GIADRO CC(=O)N(c1nc(CN2CCC(C[NH+]3CCCC3)CC2)cs1)c1ccccc1 ZINC000164843541 823822037 /nfs/dbraw/zinc/82/20/37/823822037.db2.gz RCDHXLCSABYJDZ-UHFFFAOYSA-N 1 0 398.576 4.136 20 0 GIADRO FC(F)(F)c1ccc(OCC[NH2+]Cc2cnc(-c3ccncc3)s2)cc1 ZINC000574779529 823824589 /nfs/dbraw/zinc/82/45/89/823824589.db2.gz ABBAUFLOSUIHLM-UHFFFAOYSA-N 1 0 379.407 4.393 20 0 GIADRO C[C@H](NC(=O)c1ccccc1NCc1ccccc1Cl)C1=CC[N@H+](C)CC1 ZINC000413720350 823824957 /nfs/dbraw/zinc/82/49/57/823824957.db2.gz OICXGARXCZIFFQ-INIZCTEOSA-N 1 0 383.923 4.332 20 0 GIADRO CC(C)(C)OC1CC[NH+](C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000164910910 823825139 /nfs/dbraw/zinc/82/51/39/823825139.db2.gz SLPWULSYJOWPMY-ZDUSSCGKSA-N 1 0 376.324 4.013 20 0 GIADRO C[C@H]([NH2+]C[C@H]1CCCN(C)[C@@H]1c1cccs1)c1ccc(N2CCOC2=O)cc1 ZINC000164956065 823826808 /nfs/dbraw/zinc/82/68/08/823826808.db2.gz XOAMNLCGMIZCHZ-CDXJDZJCSA-N 1 0 399.560 4.438 20 0 GIADRO CC(C)C[C@H]([NH2+]Cc1cccc(C(=O)NCc2ccco2)c1)c1ccccn1 ZINC000164981837 823827904 /nfs/dbraw/zinc/82/79/04/823827904.db2.gz CZTSHGCMNNAWBU-QFIPXVFZSA-N 1 0 377.488 4.482 20 0 GIADRO CC[C@@H](C)n1ncc(C(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)c1C1CC1 ZINC000126282605 823829045 /nfs/dbraw/zinc/82/90/45/823829045.db2.gz CDJKDTYKVIJVNH-QGZVFWFLSA-N 1 0 395.551 4.115 20 0 GIADRO CC[NH+]1CCC(N(c2ccccc2)S(=O)(=O)c2ccccc2Cl)CC1 ZINC000191977608 823829750 /nfs/dbraw/zinc/82/97/50/823829750.db2.gz YZGAPHYTQJYRKD-UHFFFAOYSA-N 1 0 378.925 4.020 20 0 GIADRO COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000462110098 823830183 /nfs/dbraw/zinc/83/01/83/823830183.db2.gz GZADACAOOLOXPE-MRXNPFEDSA-N 1 0 393.314 4.396 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(C(=O)NCc2ccco2)c1)c1ccc(F)cc1N(C)C ZINC000165027428 823830365 /nfs/dbraw/zinc/83/03/65/823830365.db2.gz OTTQHMHWCQNXOI-MRXNPFEDSA-N 1 0 395.478 4.266 20 0 GIADRO CC(=O)c1ccc(Oc2ccc(C(=O)N(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)cc2)cc1 ZINC000126291864 823831675 /nfs/dbraw/zinc/83/16/75/823831675.db2.gz HAMCKGCWGUGAST-OXQOHEQNSA-N 1 0 380.488 4.236 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)N1CCC[C@H]1[C@H]1CCCOC1 ZINC000574806835 823832739 /nfs/dbraw/zinc/83/27/39/823832739.db2.gz WVQHMPVFYPBAMG-GOTSBHOMSA-N 1 0 399.579 4.163 20 0 GIADRO C[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)CC(F)(F)F ZINC000413750931 823833530 /nfs/dbraw/zinc/83/35/30/823833530.db2.gz SXFUQOSBAJHWKT-XYJFISCASA-N 1 0 385.474 4.269 20 0 GIADRO C[C@@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)c1ccc(F)cc1Br ZINC000165106845 823834334 /nfs/dbraw/zinc/83/43/34/823834334.db2.gz MMRBSULKNMWFSM-CYBMUJFWSA-N 1 0 393.300 4.183 20 0 GIADRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(OCC2CC2)cc1 ZINC000064521019 823834617 /nfs/dbraw/zinc/83/46/17/823834617.db2.gz NNURXCIVHXAMLN-GOSISDBHSA-N 1 0 384.545 4.179 20 0 GIADRO Cc1cc(-n2ccnc2)ccc1C[NH+]1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000192015456 823834919 /nfs/dbraw/zinc/83/49/19/823834919.db2.gz OLBIQQZRPGMLMB-QHCPKHFHSA-N 1 0 379.479 4.265 20 0 GIADRO CC[N@H+](CCC1CCN(C(=O)NC[C@H](C)CC(F)(F)F)CC1)CC(C)C ZINC000413759113 823835510 /nfs/dbraw/zinc/83/55/10/823835510.db2.gz ICHDSUBSNXTMSU-MRXNPFEDSA-N 1 0 379.511 4.365 20 0 GIADRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cc(F)c(F)cc1Cl ZINC000064522164 823835892 /nfs/dbraw/zinc/83/58/92/823835892.db2.gz WGGZZQQCHIOFTI-LBPRGKRZSA-N 1 0 384.879 4.322 20 0 GIADRO O=C(COc1ccc2ccccc2c1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000064522186 823836070 /nfs/dbraw/zinc/83/60/70/823836070.db2.gz LNZWTGBDYNIXRG-SFHVURJKSA-N 1 0 394.540 4.309 20 0 GIADRO C[C@@H](CCc1cccc(F)c1)C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000126312036 823836953 /nfs/dbraw/zinc/83/69/53/823836953.db2.gz VNXPHNBBRHCILK-SFHVURJKSA-N 1 0 383.511 4.164 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)N2CCc3ccccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000574836733 823838031 /nfs/dbraw/zinc/83/80/31/823838031.db2.gz YIXBYUCVYWQIQB-CVDCTZTESA-N 1 0 377.532 4.150 20 0 GIADRO COc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cc1Cl ZINC000165177408 823838143 /nfs/dbraw/zinc/83/81/43/823838143.db2.gz AESSRISMBCCHEY-AWEZNQCLSA-N 1 0 378.875 4.175 20 0 GIADRO CO[C@](C)(C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000462128863 823838386 /nfs/dbraw/zinc/83/83/86/823838386.db2.gz IHMFYJBIBRUCIP-CVAIRZPRSA-N 1 0 398.469 4.020 20 0 GIADRO Cc1nccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(F)c(Br)c2)cn1 ZINC000126320073 823838758 /nfs/dbraw/zinc/83/87/58/823838758.db2.gz DAIICKALVPXYPS-LBPRGKRZSA-N 1 0 389.272 4.328 20 0 GIADRO CC(C)CNC(=O)c1cccc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)c1 ZINC000192036333 823839167 /nfs/dbraw/zinc/83/91/67/823839167.db2.gz CJTOLJSGKAZNGP-RTWAWAEBSA-N 1 0 386.923 4.346 20 0 GIADRO CCn1c(-c2ccc(C)cc2)nn(CN2CC[NH+](C3CCCCC3)CC2)c1=S ZINC000165244538 823841156 /nfs/dbraw/zinc/84/11/56/823841156.db2.gz FOADJHMPWDMSIB-UHFFFAOYSA-N 1 0 399.608 4.317 20 0 GIADRO C[C@@H](NC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000192041268 823841126 /nfs/dbraw/zinc/84/11/26/823841126.db2.gz AMBCCPFUVNYMPQ-RYMBOPBQSA-N 1 0 390.886 4.165 20 0 GIADRO Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000126328409 823841153 /nfs/dbraw/zinc/84/11/53/823841153.db2.gz ZNWDQCBMSKOYIO-KRWDZBQOSA-N 1 0 382.552 4.213 20 0 GIADRO NS(=O)(=O)c1ccc2c(c1)[C@@H]([NH2+]CCCCc1ccc(Cl)s1)CCC2 ZINC000574847451 823841352 /nfs/dbraw/zinc/84/13/52/823841352.db2.gz HSROHZCOBUHMDU-KRWDZBQOSA-N 1 0 398.981 4.039 20 0 GIADRO CC(C)(C)n1ncc(NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c(Cl)c1=O ZINC000064550809 823842274 /nfs/dbraw/zinc/84/22/74/823842274.db2.gz VPLFKKFWXIDDDA-AWEZNQCLSA-N 1 0 394.972 4.037 20 0 GIADRO Cc1cccc(Cl)c1NC(=O)C[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000192044118 823842631 /nfs/dbraw/zinc/84/26/31/823842631.db2.gz WWMXTEPEUXMJIP-APWZRJJASA-N 1 0 379.287 4.360 20 0 GIADRO C[C@H](NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cnn(Cc2ccccc2)c1 ZINC000165330812 823843772 /nfs/dbraw/zinc/84/37/72/823843772.db2.gz ZEZXGAGIVZCJPD-XUZZJYLKSA-N 1 0 388.559 4.147 20 0 GIADRO C[C@@H](NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1cnn(Cc2ccccc2)c1 ZINC000165330692 823844089 /nfs/dbraw/zinc/84/40/89/823844089.db2.gz ZEZXGAGIVZCJPD-QPPBQGQZSA-N 1 0 388.559 4.147 20 0 GIADRO CCC(CC)[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F)C1CC1 ZINC000165366487 823845470 /nfs/dbraw/zinc/84/54/70/823845470.db2.gz GSIGWYUBQUHLAO-UHFFFAOYSA-N 1 0 385.430 4.255 20 0 GIADRO CSc1ccc(Cl)cc1NC(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000064562824 823846224 /nfs/dbraw/zinc/84/62/24/823846224.db2.gz IGYUSHKAFGHJSB-UHFFFAOYSA-N 1 0 393.940 4.324 20 0 GIADRO C[C@H](N[C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1noc(Cc2ccccc2)n1 ZINC000165378514 823846546 /nfs/dbraw/zinc/84/65/46/823846546.db2.gz JHORGZWIXUXSLV-ROUUACIJSA-N 1 0 394.519 4.013 20 0 GIADRO Cc1nccn1-c1ccc(C[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)cn1 ZINC000126356610 823847588 /nfs/dbraw/zinc/84/75/88/823847588.db2.gz UPCSDQDYGPMBCV-HNNXBMFYSA-N 1 0 390.466 4.060 20 0 GIADRO CC(C)[C@@H](O)CC[NH2+][C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000165407016 823848437 /nfs/dbraw/zinc/84/84/37/823848437.db2.gz VIUDNHZSJJIMNX-MOPGFXCFSA-N 1 0 377.326 4.125 20 0 GIADRO C[C@H](NC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)c1noc(Cc2ccccc2)n1 ZINC000165445492 823849188 /nfs/dbraw/zinc/84/91/88/823849188.db2.gz LAYQXDWYUGGDQC-LQWHRVPQSA-N 1 0 382.552 4.354 20 0 GIADRO O=C1O[C@H](C[NH+]2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)CC12CCC2 ZINC000192072689 823850669 /nfs/dbraw/zinc/85/06/69/823850669.db2.gz MKHVBLNABXRTDN-INIZCTEOSA-N 1 0 398.330 4.460 20 0 GIADRO O=C(N[C@H]1CC[C@H](Nc2ccccn2)CC1)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000574885309 823851384 /nfs/dbraw/zinc/85/13/84/823851384.db2.gz NSNMYYYVKJMIQJ-RSKVWTTASA-N 1 0 375.516 4.215 20 0 GIADRO C[C@@H](C(=O)N(CC[NH+](C)C)Cc1cccs1)c1cccc(Br)c1 ZINC000462167854 823851625 /nfs/dbraw/zinc/85/16/25/823851625.db2.gz COEXSHOBVORCCD-CQSZACIVSA-N 1 0 395.366 4.205 20 0 GIADRO Cc1c(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)cccc1-c1ncco1 ZINC000574886781 823852010 /nfs/dbraw/zinc/85/20/10/823852010.db2.gz VSGXYZBGSDXGIW-DYESRHJHSA-N 1 0 390.487 4.435 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)C(=O)Nc1c(F)cccc1F ZINC000192076281 823852551 /nfs/dbraw/zinc/85/25/51/823852551.db2.gz UNFPCXDFZDKIBY-FEMPBKKVSA-N 1 0 398.812 4.204 20 0 GIADRO Cc1cn(C)nc1C(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000413867326 823852865 /nfs/dbraw/zinc/85/28/65/823852865.db2.gz VCVQFTXAYGHGRS-JOCHJYFZSA-N 1 0 394.563 4.026 20 0 GIADRO CCc1cccc(C)c1NC(=O)C[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000192081790 823854122 /nfs/dbraw/zinc/85/41/22/823854122.db2.gz ZLPWYQPZNMQWRQ-NQIIRXRSSA-N 1 0 390.886 4.408 20 0 GIADRO Cc1ccc2[nH]cc(CCC(=O)N[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C)c2c1 ZINC000462175545 823854868 /nfs/dbraw/zinc/85/48/68/823854868.db2.gz KTACDIHCZLIPAI-MBSDFSHPSA-N 1 0 375.516 4.046 20 0 GIADRO CC(=O)Nc1ccc(CC[NH2+][C@@H](C)c2ccc(F)cc2Br)cc1 ZINC000165612890 823855311 /nfs/dbraw/zinc/85/53/11/823855311.db2.gz KBTUJIKBTXDBDK-LBPRGKRZSA-N 1 0 379.273 4.440 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CCCc2nnc(SC)n2CC(C)C)c(F)c1 ZINC000165631628 823856401 /nfs/dbraw/zinc/85/64/01/823856401.db2.gz LIRYQPXAFTYDGY-AWEZNQCLSA-N 1 0 380.533 4.087 20 0 GIADRO CC[C@@H]([NH2+][C@H](C)c1ccc(OC)cc1)c1ccccc1OCC(=O)N1CCCC1 ZINC000165662117 823857256 /nfs/dbraw/zinc/85/72/56/823857256.db2.gz HQPSUHZQLWHLMD-XMSQKQJNSA-N 1 0 396.531 4.498 20 0 GIADRO COC(=O)c1ccc(C[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)cc1F ZINC000192091064 823857386 /nfs/dbraw/zinc/85/73/86/823857386.db2.gz CMVXQFOPFZKLIN-ROUUACIJSA-N 1 0 381.806 4.025 20 0 GIADRO Cc1ccc(NC(=O)C[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c(C)c1 ZINC000192092187 823857933 /nfs/dbraw/zinc/85/79/33/823857933.db2.gz ZSJAITCONAXHRT-UYAOXDASSA-N 1 0 376.859 4.154 20 0 GIADRO COCCC[C@H]([NH2+]Cc1ccc(OC)nc1)c1ccc(Br)cc1 ZINC000126402460 823858039 /nfs/dbraw/zinc/85/80/39/823858039.db2.gz KMOUEFJYVJEOJR-KRWDZBQOSA-N 1 0 379.298 4.110 20 0 GIADRO CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+][C@@H](CC)c2cc(C)ccc2OC)s1 ZINC000574908200 823858976 /nfs/dbraw/zinc/85/89/76/823858976.db2.gz YZQUXKYHSQHDLZ-FMKPAKJESA-N 1 0 390.553 4.122 20 0 GIADRO CC(C)Oc1ccc([C@@H](CNC(=O)c2cc3c(cccc3F)[nH]2)[NH+](C)C)cc1 ZINC000574908932 823859146 /nfs/dbraw/zinc/85/91/46/823859146.db2.gz ACYASKWXBWDMBE-OAQYLSRUSA-N 1 0 383.467 4.127 20 0 GIADRO CCN(C(=O)NCC(C)(C)c1cccnc1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000413887671 823859319 /nfs/dbraw/zinc/85/93/19/823859319.db2.gz JEDMMQPVHBAYNS-DENIHFKCSA-N 1 0 394.563 4.226 20 0 GIADRO C[C@@H]([NH2+]CC1(CCO)CCCCC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000165695100 823859321 /nfs/dbraw/zinc/85/93/21/823859321.db2.gz YVWBMNPBMLBZIL-GOSISDBHSA-N 1 0 393.593 4.386 20 0 GIADRO C[C@H](CSc1ccccc1)C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000126408017 823859402 /nfs/dbraw/zinc/85/94/02/823859402.db2.gz NUHJKEACGZRDAR-GOSISDBHSA-N 1 0 383.561 4.185 20 0 GIADRO CC(C)c1ccc([C@H](C[NH2+][C@@H](C)[C@@H]2CCOC2)NC(=O)OC(C)(C)C)cc1 ZINC000165703755 823860160 /nfs/dbraw/zinc/86/01/60/823860160.db2.gz IDQNEMTZJFRVPL-DBVUQKKJSA-N 1 0 376.541 4.390 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)C(=O)Nc1cc(F)ccc1F ZINC000192103929 823860978 /nfs/dbraw/zinc/86/09/78/823860978.db2.gz BVYFCPWPNPMGTL-FEMPBKKVSA-N 1 0 398.812 4.204 20 0 GIADRO Clc1ccc(O[C@H]2CC[N@H+](Cc3ccc(-n4ccnc4)nc3)C2)cc1Cl ZINC000126414032 823861426 /nfs/dbraw/zinc/86/14/26/823861426.db2.gz OFWPYBXEUUFKHT-INIZCTEOSA-N 1 0 389.286 4.227 20 0 GIADRO CC[C@@H](C)n1ncc(C(=O)Nc2ccc(OCC[NH+](C)C)cc2F)c1C1CC1 ZINC000413897920 823862359 /nfs/dbraw/zinc/86/23/59/823862359.db2.gz FJZIXEXLYDJYJA-CQSZACIVSA-N 1 0 388.487 4.063 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C[C@H](c1ccccc1)C(F)(F)F ZINC000462190976 823862541 /nfs/dbraw/zinc/86/25/41/823862541.db2.gz RUIRGSAGCNPEJU-NSISKUIASA-N 1 0 390.449 4.359 20 0 GIADRO COc1ccc2cccc(CC(=O)Nc3ccc(OCC[NH+](C)C)cc3F)c2c1 ZINC000413899855 823862769 /nfs/dbraw/zinc/86/27/69/823862769.db2.gz JGGXGDVSABOMQM-UHFFFAOYSA-N 1 0 396.462 4.109 20 0 GIADRO CCc1ccccc1NC(=O)[C@H](C)[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000192108409 823862802 /nfs/dbraw/zinc/86/28/02/823862802.db2.gz BZEHSQLFVGCSNK-QTJFZDIUSA-N 1 0 390.886 4.488 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(OCc3ccc(F)cc3)c2)[C@H]1n1cccn1 ZINC000574930289 823862977 /nfs/dbraw/zinc/86/29/77/823862977.db2.gz QNDBTQHJRDBHDH-YTFSRNRJSA-N 1 0 395.478 4.110 20 0 GIADRO Cc1ccc(Br)cc1C(=O)Nc1ccc(OCC[NH+](C)C)cc1F ZINC000413903034 823863727 /nfs/dbraw/zinc/86/37/27/823863727.db2.gz PXVOPBWGLRJEEW-UHFFFAOYSA-N 1 0 395.272 4.089 20 0 GIADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@@H](C)c2cccc(Br)c2)o1 ZINC000462197936 823865835 /nfs/dbraw/zinc/86/58/35/823865835.db2.gz WROKEHBDNHBEHK-HNNXBMFYSA-N 1 0 393.325 4.044 20 0 GIADRO Fc1ccc([C@@H]2OCC[C@H]2[NH2+]CCCc2nc(-c3ccccc3)no2)cc1F ZINC000192119889 823866652 /nfs/dbraw/zinc/86/66/52/823866652.db2.gz XBZUXRAZUSBDAN-QUCCMNQESA-N 1 0 385.414 4.067 20 0 GIADRO Fc1ccc([C@H]2OCC[C@@H]2[NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)cc1F ZINC000192121888 823866969 /nfs/dbraw/zinc/86/69/69/823866969.db2.gz QNEVQIIYUZHRQG-NZQKXSOJSA-N 1 0 395.453 4.259 20 0 GIADRO CCc1c(NC(=O)CSCC[NH+](CC)CC)cnn1-c1ccccc1Cl ZINC000192122371 823867381 /nfs/dbraw/zinc/86/73/81/823867381.db2.gz ZQEYYFZIWSYIBH-UHFFFAOYSA-N 1 0 394.972 4.102 20 0 GIADRO CC[C@H](CNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)CC(F)(F)F ZINC000413925318 823867544 /nfs/dbraw/zinc/86/75/44/823867544.db2.gz ZWCTXEYKDQWGST-INIZCTEOSA-N 1 0 385.474 4.271 20 0 GIADRO CC1CC[NH+](CCCNC(=O)CCSc2ccc(Br)cc2)CC1 ZINC000064700593 823867769 /nfs/dbraw/zinc/86/77/69/823867769.db2.gz PSUZJKSJIMDWKD-UHFFFAOYSA-N 1 0 399.398 4.170 20 0 GIADRO COCC[N@H+](C)CC[C@@H](N[C@@H](C)c1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000165990492 823867852 /nfs/dbraw/zinc/86/78/52/823867852.db2.gz IPVINDPFKSKHOW-SIKLNZKXSA-N 1 0 398.547 4.208 20 0 GIADRO Fc1ccc([C@@H]2OCC[C@@H]2[NH2+]Cc2nc3ccccc3n2C(F)F)cc1F ZINC000192125620 823868284 /nfs/dbraw/zinc/86/82/84/823868284.db2.gz ZKBCGLWNDHSXIM-YJBOKZPZSA-N 1 0 379.357 4.329 20 0 GIADRO Cn1nc(C2CCCC2)cc1NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000166024216 823868555 /nfs/dbraw/zinc/86/85/55/823868555.db2.gz DNNRFNYIRZQFHO-UHFFFAOYSA-N 1 0 380.536 4.319 20 0 GIADRO CCc1nc([C@H](C)NC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)cs1 ZINC000126443668 823868910 /nfs/dbraw/zinc/86/89/10/823868910.db2.gz WTLAYZRIARKIDI-GTPINHCMSA-N 1 0 378.586 4.109 20 0 GIADRO CSc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000192130323 823870451 /nfs/dbraw/zinc/87/04/51/823870451.db2.gz FQHSRSGIZBABIT-GESALYCCSA-N 1 0 392.471 4.134 20 0 GIADRO Cc1noc(C)c1CCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000166138073 823870462 /nfs/dbraw/zinc/87/04/62/823870462.db2.gz GHEKJBVQFGZSJP-AWEZNQCLSA-N 1 0 377.916 4.065 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c2ccccc2O1 ZINC000574959704 823871777 /nfs/dbraw/zinc/87/17/77/823871777.db2.gz PQUNNGDVXUQOGF-AWQBJMPUSA-N 1 0 399.560 4.343 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)[C@@H](c1ccc(F)cc1)C(C)C ZINC000413938674 823871980 /nfs/dbraw/zinc/87/19/80/823871980.db2.gz MCGLRIGSYKTNTQ-OAQYLSRUSA-N 1 0 388.483 4.153 20 0 GIADRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)c1sc(C(F)(F)F)nc1C ZINC000462209081 823872136 /nfs/dbraw/zinc/87/21/36/823872136.db2.gz CKDOZRRXUWEAAA-OLZOCXBDSA-N 1 0 377.476 4.101 20 0 GIADRO C[NH+](C)Cc1ccc(NC(=O)CSc2ccc(C(F)(F)F)cn2)c(F)c1 ZINC000413940107 823872679 /nfs/dbraw/zinc/87/26/79/823872679.db2.gz RHHVTBZPEBFUPI-UHFFFAOYSA-N 1 0 387.402 4.032 20 0 GIADRO CC(=O)N(c1nc(CN2CC[N@@H+](C)CC23CCCCC3)cs1)c1ccccc1 ZINC000166291313 823874557 /nfs/dbraw/zinc/87/45/57/823874557.db2.gz GTMAYQKIZPVYLE-UHFFFAOYSA-N 1 0 398.576 4.278 20 0 GIADRO Cc1cccc(C)c1NC(=O)CCC[NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000192137494 823874979 /nfs/dbraw/zinc/87/49/79/823874979.db2.gz ZLFUUUIPVGZCNA-UGKGYDQZSA-N 1 0 388.458 4.420 20 0 GIADRO Cc1oc(-c2cccs2)nc1CC(=O)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000064735389 823875011 /nfs/dbraw/zinc/87/50/11/823875011.db2.gz OVRRPNYOAJJRBF-UXLLHSPISA-N 1 0 387.549 4.118 20 0 GIADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2cnc(-c3ccccc3F)s2)C1 ZINC000064736117 823875690 /nfs/dbraw/zinc/87/56/90/823875690.db2.gz QVAREZRBNKZYQV-XHSDSOJGSA-N 1 0 387.524 4.427 20 0 GIADRO Cc1cc(O[C@H](C)C(=O)N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)ccc1Cl ZINC000064735924 823875882 /nfs/dbraw/zinc/87/58/82/823875882.db2.gz FAUFYUBFDRYKRC-XMTFNYHQSA-N 1 0 378.944 4.280 20 0 GIADRO CCOCCC1(C[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)CC1 ZINC000126471860 823876894 /nfs/dbraw/zinc/87/68/94/823876894.db2.gz VVDRKBFSCSKOFG-UHFFFAOYSA-N 1 0 378.314 4.136 20 0 GIADRO O=C(Cn1ccc2ccc(Cl)cc21)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000064741720 823877266 /nfs/dbraw/zinc/87/72/66/823877266.db2.gz MPCUNVMFEOLCQB-UHFFFAOYSA-N 1 0 399.897 4.215 20 0 GIADRO COc1ccccc1N1CC[C@H](C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)C1 ZINC000166420462 823877277 /nfs/dbraw/zinc/87/72/77/823877277.db2.gz XGNJXLUYUVAEPZ-VWPQPMDRSA-N 1 0 380.532 4.279 20 0 GIADRO COC(=O)c1cc2cc(C[NH2+][C@@H]3CCO[C@H]3c3ccc(F)c(F)c3)ccc2o1 ZINC000192141211 823877582 /nfs/dbraw/zinc/87/75/82/823877582.db2.gz DGJYJECAWQISGX-XLIONFOSSA-N 1 0 387.382 4.117 20 0 GIADRO CC[NH+](CC)[C@H](C(=O)Nc1cc(OC)cc(OC)c1Cl)c1ccccc1 ZINC000413958904 823877974 /nfs/dbraw/zinc/87/79/74/823877974.db2.gz PIWXVQRLXKWXNQ-IBGZPJMESA-N 1 0 376.884 4.379 20 0 GIADRO Cc1cc(C)c(NC(=O)C[NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)c(Cl)c1 ZINC000192143615 823878535 /nfs/dbraw/zinc/87/85/35/823878535.db2.gz JTYTYXLOKVOYPY-XLIONFOSSA-N 1 0 394.849 4.293 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCC(F)(F)c2ccccc2)C1 ZINC000462221386 823878783 /nfs/dbraw/zinc/87/87/83/823878783.db2.gz CMMYENFCUAXGJS-QZTJIDSGSA-N 1 0 379.495 4.074 20 0 GIADRO Cc1sc(NC(=O)C[NH2+][C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c(C)c1C ZINC000192144805 823879074 /nfs/dbraw/zinc/87/90/74/823879074.db2.gz MUWQNCLSRPUICD-SJLPKXTDSA-N 1 0 380.460 4.010 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)N[C@H]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)CC1 ZINC000574985861 823879723 /nfs/dbraw/zinc/87/97/23/823879723.db2.gz GVXRKGQASVIPIM-MOPGFXCFSA-N 1 0 397.567 4.010 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)Cc1coc2cc(C)c(C)cc12 ZINC000413966039 823879982 /nfs/dbraw/zinc/87/99/82/823879982.db2.gz YFJPNXJFROWYPZ-UHFFFAOYSA-N 1 0 396.487 4.180 20 0 GIADRO Cc1ccsc1CNC(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000064757321 823881540 /nfs/dbraw/zinc/88/15/40/823881540.db2.gz DYVOFUBCQUJMHL-UHFFFAOYSA-N 1 0 399.482 4.349 20 0 GIADRO Cc1sc(NC(=O)C2CC[NH+](C(C)C)CC2)nc1-c1c[nH]c2ncccc12 ZINC000126495329 823883609 /nfs/dbraw/zinc/88/36/09/823883609.db2.gz FWGGMSOAHUJSLC-UHFFFAOYSA-N 1 0 383.521 4.054 20 0 GIADRO Cc1nccn1-c1ccc(C[NH2+][C@H](C)c2cccc(OC(F)(F)F)c2)cn1 ZINC000126497549 823884196 /nfs/dbraw/zinc/88/41/96/823884196.db2.gz SCFCHYJOQAQZRJ-CYBMUJFWSA-N 1 0 376.382 4.325 20 0 GIADRO CCc1noc(CC)c1C[NH2+][C@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000166946032 823884437 /nfs/dbraw/zinc/88/44/37/823884437.db2.gz PZNARBNJMGBBCL-GFCCVEGCSA-N 1 0 383.414 4.325 20 0 GIADRO COc1ccc2cc([C@H](C)C(=O)NCC[N@H+](C)Cc3ccccc3)ccc2c1 ZINC000064804595 823888777 /nfs/dbraw/zinc/88/87/77/823888777.db2.gz GSQMTTYVTLDGFY-SFHVURJKSA-N 1 0 376.500 4.200 20 0 GIADRO C[C@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1 ZINC000167350091 823890571 /nfs/dbraw/zinc/89/05/71/823890571.db2.gz VEPDQMMNUJXGMA-GAJHUEQPSA-N 1 0 386.499 4.426 20 0 GIADRO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)Nc1ccc(OC(F)F)cc1F ZINC000575022195 823890474 /nfs/dbraw/zinc/89/04/74/823890474.db2.gz JDBBFNKLGCFZPW-HNNXBMFYSA-N 1 0 393.409 4.213 20 0 GIADRO C[C@@H](CCc1ccco1)[NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1 ZINC000167359768 823891071 /nfs/dbraw/zinc/89/10/71/823891071.db2.gz HECADQSOMQEXFL-KRWDZBQOSA-N 1 0 378.476 4.107 20 0 GIADRO Fc1cccc(C[C@H]([NH2+]CCc2nnc3n2CCCCC3)c2cccc(F)c2)c1 ZINC000126530297 823891741 /nfs/dbraw/zinc/89/17/41/823891741.db2.gz QCLMBZDJVITWCW-NRFANRHFSA-N 1 0 396.485 4.399 20 0 GIADRO CCN(CC[NH2+][C@@H](C)c1ccc(OC)cc1Br)CCC(F)(F)F ZINC000575027241 823892351 /nfs/dbraw/zinc/89/23/51/823892351.db2.gz XCNUEMAYBXQYBD-LBPRGKRZSA-N 1 0 397.279 4.383 20 0 GIADRO Cc1nc(C2CCCC2)sc1C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000126535829 823892836 /nfs/dbraw/zinc/89/28/36/823892836.db2.gz YUHYUARMNPYDRW-UHFFFAOYSA-N 1 0 398.576 4.493 20 0 GIADRO O=C(c1cccc2c3c([nH]c21)CCCC3)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000126537380 823893436 /nfs/dbraw/zinc/89/34/36/823893436.db2.gz UFOIYIQTXASWKG-ZHRRBRCNSA-N 1 0 377.532 4.136 20 0 GIADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc(N4CCCCC4)c(Cl)c3)CC[C@@H]21 ZINC000167737884 823894619 /nfs/dbraw/zinc/89/46/19/823894619.db2.gz NGVPEBKOWUHGTM-APWZRJJASA-N 1 0 390.959 4.278 20 0 GIADRO O=C(Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc2sccc2[nH]1 ZINC000192181769 823894732 /nfs/dbraw/zinc/89/47/32/823894732.db2.gz MOZGZHTZZKTNRI-MRXNPFEDSA-N 1 0 391.500 4.125 20 0 GIADRO C[C@@H](CC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2)c1ccc(C(F)(F)F)cc1 ZINC000575039041 823897232 /nfs/dbraw/zinc/89/72/32/823897232.db2.gz NROIEJUDPNYHSJ-LRDDRELGSA-N 1 0 377.410 4.049 20 0 GIADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3cccc(COC4CCCCC4)c3)CC[C@@H]21 ZINC000167885628 823897379 /nfs/dbraw/zinc/89/73/79/823897379.db2.gz ZIZMFEFYEQASBC-KNQAVFIVSA-N 1 0 385.552 4.484 20 0 GIADRO CCSc1cc(Cl)ccc1C(=O)NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000126555856 823897574 /nfs/dbraw/zinc/89/75/74/823897574.db2.gz YZEJZPDWUSSHOY-GASCZTMLSA-N 1 0 384.973 4.071 20 0 GIADRO CCc1cccc2c(C3CCN(C(=O)NC[C@H]4CC[N@@H+](C5CC5)C4)CC3)c[nH]c21 ZINC000126556486 823898374 /nfs/dbraw/zinc/89/83/74/823898374.db2.gz QCEWQFBPYYSPIA-QGZVFWFLSA-N 1 0 394.563 4.104 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc(OC(F)F)c(F)c1 ZINC000462251583 823898976 /nfs/dbraw/zinc/89/89/76/823898976.db2.gz BOJRVVSHHQCSIJ-DYVFJYSZSA-N 1 0 393.409 4.069 20 0 GIADRO CCCS(=O)(=O)N1CCC([NH2+][C@H]2CCC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000414062031 823899111 /nfs/dbraw/zinc/89/91/11/823899111.db2.gz KVMHNPLISMWFOY-XLIONFOSSA-N 1 0 399.000 4.160 20 0 GIADRO Clc1cc(C[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)ccc1Br ZINC000192200856 823900072 /nfs/dbraw/zinc/90/00/72/823900072.db2.gz QXAQSHRYMMYNSL-WFASDCNBSA-N 1 0 376.747 4.247 20 0 GIADRO CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CCN(c3ncccc3F)C2)cc1 ZINC000168117602 823900159 /nfs/dbraw/zinc/90/01/59/823900159.db2.gz PQYGYTLMLQSQPT-LPHOPBHVSA-N 1 0 399.514 4.024 20 0 GIADRO c1ccc(CN2CCC([NH2+][C@H]3CCCOc4cc5c(cc43)CCCC5)CC2)nc1 ZINC000126565023 823900194 /nfs/dbraw/zinc/90/01/94/823900194.db2.gz GSALLNJVDIRHAN-DEOSSOPVSA-N 1 0 391.559 4.428 20 0 GIADRO CC1CC[NH+](Cc2cccc(CNC(=O)c3ccncc3C(F)(F)F)c2)CC1 ZINC000192202888 823900436 /nfs/dbraw/zinc/90/04/36/823900436.db2.gz OZMGTLYGEWUVDE-UHFFFAOYSA-N 1 0 391.437 4.262 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]CC1(N(C)C)CCOCC1 ZINC000168260097 823901334 /nfs/dbraw/zinc/90/13/34/823901334.db2.gz NUOYMRREMGPWGK-CQSZACIVSA-N 1 0 377.529 4.019 20 0 GIADRO COc1ccc(C[NH2+]Cc2ccc(OC(F)F)c(F)c2)cc1Br ZINC000168215701 823901380 /nfs/dbraw/zinc/90/13/80/823901380.db2.gz PCPGQMPVZPPODB-UHFFFAOYSA-N 1 0 390.199 4.488 20 0 GIADRO COc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)c(C)c1 ZINC000414071382 823901331 /nfs/dbraw/zinc/90/13/31/823901331.db2.gz KNVJKIZTPYERMO-FHWLQOOXSA-N 1 0 396.531 4.104 20 0 GIADRO COC(=O)c1cnc([C@@H](C)[NH2+]C[C@H](C)CSc2ccccc2OC)s1 ZINC000414070492 823901485 /nfs/dbraw/zinc/90/14/85/823901485.db2.gz CHVNRTFWEXBGDJ-QWHCGFSZSA-N 1 0 380.535 4.017 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1cccc(N2CCCC2)c1)c1ccc(NS(C)(=O)=O)cc1 ZINC000168361022 823902556 /nfs/dbraw/zinc/90/25/56/823902556.db2.gz WKFNXPJHCGXOHP-IRXDYDNUSA-N 1 0 387.549 4.070 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC000462259035 823902403 /nfs/dbraw/zinc/90/24/03/823902403.db2.gz MNSSUCUIGBJPAY-FOIQADDNSA-N 1 0 390.487 4.347 20 0 GIADRO C[C@H]([NH2+]C1CCN(c2cccs2)CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000168412778 823902613 /nfs/dbraw/zinc/90/26/13/823902613.db2.gz JCBCVIXYOVISOB-HNNXBMFYSA-N 1 0 384.549 4.352 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1cc(-c2ccccn2)ccc1Cl)c1cccs1 ZINC000168480661 823902959 /nfs/dbraw/zinc/90/29/59/823902959.db2.gz OGIJKJVIHMKCDB-SFHVURJKSA-N 1 0 385.920 4.496 20 0 GIADRO C[C@H]([NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1cc2n(n1)CCC2 ZINC000414080923 823904232 /nfs/dbraw/zinc/90/42/32/823904232.db2.gz DNYCZXYAYNQTPM-AWEZNQCLSA-N 1 0 393.362 4.451 20 0 GIADRO C[C@@H]([NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1F)[C@H]1C[C@H]1C ZINC000414084119 823905078 /nfs/dbraw/zinc/90/50/78/823905078.db2.gz FALIBWNDVUCPQD-VKCQTPNSSA-N 1 0 379.472 4.092 20 0 GIADRO CCOc1cccc(C[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)c1OC(F)F ZINC000168639226 823905705 /nfs/dbraw/zinc/90/57/05/823905705.db2.gz BVEHJKPWCRMMKZ-WHDAMIPWSA-N 1 0 383.460 4.275 20 0 GIADRO Cc1nc2ccccc2n1Cc1cc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)ccc1Cl ZINC000168671922 823905725 /nfs/dbraw/zinc/90/57/25/823905725.db2.gz SJNMIFOVQJZAPG-HOCLYGCPSA-N 1 0 382.895 4.112 20 0 GIADRO CCOc1cc(C[NH2+][C@H](C)c2ccc(OC)c(Cn3cccn3)c2)ccc1OC ZINC000168840175 823906732 /nfs/dbraw/zinc/90/67/32/823906732.db2.gz DQKZCMURCIWNMZ-QGZVFWFLSA-N 1 0 395.503 4.198 20 0 GIADRO Brc1cccc([C@@H]([NH2+][C@H]2CCc3n[nH]cc3C2)c2ccccc2)c1 ZINC000414090099 823906999 /nfs/dbraw/zinc/90/69/99/823906999.db2.gz KOFAANNEDKDNDK-ICSRJNTNSA-N 1 0 382.305 4.409 20 0 GIADRO C[NH+](C)C1(CNC(=O)c2cnc(-c3ccccc3Cl)s2)CCCCC1 ZINC000064893914 823906963 /nfs/dbraw/zinc/90/69/63/823906963.db2.gz DSTBKIIHWXGDEN-UHFFFAOYSA-N 1 0 377.941 4.458 20 0 GIADRO CC(C)OCc1ccc(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000462269179 823907341 /nfs/dbraw/zinc/90/73/41/823907341.db2.gz RRCNGFUKRDZGOS-XMSQKQJNSA-N 1 0 381.520 4.254 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1ccccc1CSC1=NCCS1)c1ccccc1 ZINC000126595195 823907608 /nfs/dbraw/zinc/90/76/08/823907608.db2.gz DOUVLPWXTNZBSK-LJQANCHMSA-N 1 0 399.585 4.055 20 0 GIADRO C[C@H]([NH2+]CCOc1c(Cl)cc(Br)cc1Cl)c1ccn(C)n1 ZINC000414094724 823907871 /nfs/dbraw/zinc/90/78/71/823907871.db2.gz GWNVCPNTBNOFJF-VIFPVBQESA-N 1 0 393.112 4.219 20 0 GIADRO C[C@H](NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1csc(-c2ccccc2)n1 ZINC000414096393 823908470 /nfs/dbraw/zinc/90/84/70/823908470.db2.gz QNCSFDYMQJXUKI-DQLDELGASA-N 1 0 385.577 4.229 20 0 GIADRO CC(C)n1cc([C@@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)cn1 ZINC000169107567 823908846 /nfs/dbraw/zinc/90/88/46/823908846.db2.gz GOGFFIQPDLLRCV-DNVCBOLYSA-N 1 0 380.458 4.408 20 0 GIADRO COc1ccc(C[NH2+][C@@H](C)[C@H]2COc3ccccc32)cc1OCc1cccnc1 ZINC000169164995 823909397 /nfs/dbraw/zinc/90/93/97/823909397.db2.gz IXDCEOBMMGSMEL-LAUBAEHRSA-N 1 0 390.483 4.324 20 0 GIADRO CCN1CC[C@H]([NH2+][C@@H](C)c2cc3n(n2)CCC3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000414100286 823909645 /nfs/dbraw/zinc/90/96/45/823909645.db2.gz KZNKKJQGCIFDOR-YHJVDBJQSA-N 1 0 376.907 4.108 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1cc(F)cc(C(F)(F)F)c1 ZINC000126606656 823909930 /nfs/dbraw/zinc/90/99/30/823909930.db2.gz HSANSVRPXCCDJV-UHFFFAOYSA-N 1 0 395.400 4.228 20 0 GIADRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](c1ccccc1)c1cccc(Br)c1 ZINC000414100854 823910393 /nfs/dbraw/zinc/91/03/93/823910393.db2.gz LOIIQZOZALMARD-QYZOEREBSA-N 1 0 387.321 4.043 20 0 GIADRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@@H](c1ccccc1)c1cccc(Br)c1 ZINC000414100850 823910404 /nfs/dbraw/zinc/91/04/04/823910404.db2.gz LOIIQZOZALMARD-QRVBRYPASA-N 1 0 387.321 4.043 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)c(C)c1 ZINC000414106484 823911396 /nfs/dbraw/zinc/91/13/96/823911396.db2.gz IMDFWPSPMAIYPW-YJBOKZPZSA-N 1 0 380.467 4.067 20 0 GIADRO C[C@H]([NH2+]C[C@@H]1C[C@H](O)CN1Cc1ccccc1)c1csc(-c2ccccc2)n1 ZINC000414106745 823911421 /nfs/dbraw/zinc/91/14/21/823911421.db2.gz RHEAUQABDNPFIK-YYWHXJBOSA-N 1 0 393.556 4.096 20 0 GIADRO Cc1ccc2cccc(C(=O)Nc3ccc([C@@H](C)N4CCOCC4)cc3)c2n1 ZINC000126614320 823911510 /nfs/dbraw/zinc/91/15/10/823911510.db2.gz NWQUPQGGYSROJT-QGZVFWFLSA-N 1 0 375.472 4.189 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC000462282548 823911557 /nfs/dbraw/zinc/91/15/57/823911557.db2.gz WMVGGBDHYDPOFI-UGSOOPFHSA-N 1 0 399.445 4.143 20 0 GIADRO O=C(c1cccs1)c1ccccc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000126616345 823912091 /nfs/dbraw/zinc/91/20/91/823912091.db2.gz QRYMEDTWKVPKJE-OXJNMPFZSA-N 1 0 394.540 4.068 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)CCCOc2ccccc2Cl)cc1 ZINC000064918882 823912473 /nfs/dbraw/zinc/91/24/73/823912473.db2.gz SUOUUXRSXGIQHR-UHFFFAOYSA-N 1 0 376.884 4.078 20 0 GIADRO C[S@](=O)C1(C[NH2+][C@@H](c2ccccc2)c2cccc(Br)c2)CC1 ZINC000414124361 823914861 /nfs/dbraw/zinc/91/48/61/823914861.db2.gz CEGRKJYBVAUICT-JTSKRJEESA-N 1 0 378.335 4.039 20 0 GIADRO CC(C)(C)C[C@H]([NH2+]C[C@@H](CO)[C@@H]1CCOC1)c1ccc(Br)cc1 ZINC000414127239 823915289 /nfs/dbraw/zinc/91/52/89/823915289.db2.gz GBIKFURGWSJIRS-RYRKJORJSA-N 1 0 384.358 4.161 20 0 GIADRO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1Cl ZINC000462300785 823916346 /nfs/dbraw/zinc/91/63/46/823916346.db2.gz JUZRZDAFZZADDT-KSSFIOAISA-N 1 0 398.981 4.071 20 0 GIADRO CC(=O)NCCc1ccc([C@H](C)[NH2+]Cc2ccc(Br)c(C)c2)cc1 ZINC000414137015 823917180 /nfs/dbraw/zinc/91/71/80/823917180.db2.gz FZMXMPKTJWHTRI-HNNXBMFYSA-N 1 0 389.337 4.287 20 0 GIADRO OCC1(Cc2ccccc2)CC[NH+](Cc2ncc(-c3ccc(F)cc3)o2)CC1 ZINC000575123199 823917418 /nfs/dbraw/zinc/91/74/18/823917418.db2.gz IDDSGGWZTVPCBG-UHFFFAOYSA-N 1 0 380.463 4.298 20 0 GIADRO Cc1cc(C)c(C[NH+]2CCN(Cc3nc(-c4cccs4)no3)CC2)c(C)c1 ZINC000064951268 823917810 /nfs/dbraw/zinc/91/78/10/823917810.db2.gz URYFPNVQGFMRDL-UHFFFAOYSA-N 1 0 382.533 4.041 20 0 GIADRO C[C@H]([NH2+][C@H](CCC(=O)OC(C)(C)C)Cc1ccccc1)c1cc2n(n1)CCC2 ZINC000414148458 823918707 /nfs/dbraw/zinc/91/87/07/823918707.db2.gz SQKFEBLSESLBMY-PKOBYXMFSA-N 1 0 383.536 4.213 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCCN(C(=O)N2CCCC2)C1)c1csc(-c2ccccc2)n1 ZINC000414164426 823921016 /nfs/dbraw/zinc/92/10/16/823921016.db2.gz OGVCVHCXEBQVNC-AEFFLSMTSA-N 1 0 384.549 4.141 20 0 GIADRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(F)c(I)c2)nc1C ZINC000414171816 823922120 /nfs/dbraw/zinc/92/21/20/823922120.db2.gz VITMDWZBXRGRBA-LBPRGKRZSA-N 1 0 384.236 4.293 20 0 GIADRO Cc1ccc(C[NH2+][C@H](C)c2ccc(F)c(I)c2)nc1C ZINC000414171815 823922318 /nfs/dbraw/zinc/92/23/18/823922318.db2.gz VITMDWZBXRGRBA-GFCCVEGCSA-N 1 0 384.236 4.293 20 0 GIADRO COc1ccc([C@@H](CO)C[NH2+][C@H](C)c2ccc(Br)cc2F)cc1 ZINC000414172540 823922654 /nfs/dbraw/zinc/92/26/54/823922654.db2.gz FKXDFDLFHMGJEI-TZMCWYRMSA-N 1 0 382.273 4.024 20 0 GIADRO Cc1nccnc1[C@H](C)[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000414174418 823922662 /nfs/dbraw/zinc/92/26/62/823922662.db2.gz HHCOYYNCLFICPK-OFAXGOBFSA-N 1 0 390.506 4.243 20 0 GIADRO CC(C)[N@H+](CCC(C)(C)O)CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000462320495 823923672 /nfs/dbraw/zinc/92/36/72/823923672.db2.gz RRNNEHDSUCWSNV-UHFFFAOYSA-N 1 0 380.838 4.169 20 0 GIADRO CC(C)[C@@H]1[N@H+](CCC(=O)Nc2cccc(C(F)(F)F)c2)CC12CCOCC2 ZINC000414179970 823923777 /nfs/dbraw/zinc/92/37/77/823923777.db2.gz KSYRCORQVGZAEX-SFHVURJKSA-N 1 0 384.442 4.171 20 0 GIADRO C[C@H](N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1cc(F)ccc1F ZINC000126671718 823923864 /nfs/dbraw/zinc/92/38/64/823923864.db2.gz GTHCFVJFHYTGMZ-GJZGRUSLSA-N 1 0 377.454 4.268 20 0 GIADRO COc1ccc(CCC[NH2+]Cc2cc(Br)ccc2F)cc1OC ZINC000065014441 823924167 /nfs/dbraw/zinc/92/41/67/823924167.db2.gz CGXZANRPTZSSEB-UHFFFAOYSA-N 1 0 382.273 4.328 20 0 GIADRO Ic1ccccc1[C@@H]1CCC[N@@H+]1CCCc1ccncc1 ZINC000462322873 823924357 /nfs/dbraw/zinc/92/43/57/823924357.db2.gz RFLNHTXGRRUSCK-SFHVURJKSA-N 1 0 392.284 4.456 20 0 GIADRO COc1ccc(C[N@H+](Cc2cccc(C(=O)N(C)C)c2)[C@H](C)C2CC2)c(OC)c1 ZINC000575151716 823924586 /nfs/dbraw/zinc/92/45/86/823924586.db2.gz PJFWISAWBDWHDV-QGZVFWFLSA-N 1 0 396.531 4.206 20 0 GIADRO CC(C)c1cccc(S(=O)(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000462323256 823925030 /nfs/dbraw/zinc/92/50/30/823925030.db2.gz HFPKHEGZOQISHG-YLJYHZDGSA-N 1 0 392.590 4.233 20 0 GIADRO CC(=O)Nc1cccc(C[N@@H+](C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)c1 ZINC000170643319 823924996 /nfs/dbraw/zinc/92/49/96/823924996.db2.gz AFXLDTVNCSOAKZ-RBUKOAKNSA-N 1 0 379.287 4.042 20 0 GIADRO COc1ccc([C@@H](CO)C[NH2+][C@@H](C)c2ccc(Br)c(F)c2)cc1 ZINC000414187636 823925077 /nfs/dbraw/zinc/92/50/77/823925077.db2.gz QFLXXGSRGWFLII-SWLSCSKDSA-N 1 0 382.273 4.024 20 0 GIADRO C[C@H](CCc1ccccc1F)C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000126679094 823925460 /nfs/dbraw/zinc/92/54/60/823925460.db2.gz DAISMBFZIUKCFO-GOSISDBHSA-N 1 0 383.511 4.164 20 0 GIADRO COc1ccc([C@@H](CO)C[NH2+][C@H](C)c2cc(Br)ccc2F)cc1 ZINC000414196720 823925758 /nfs/dbraw/zinc/92/57/58/823925758.db2.gz VXLYTCYXEPYKFI-TZMCWYRMSA-N 1 0 382.273 4.024 20 0 GIADRO CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](Cc2cc(Cl)cc3cccnc32)C1 ZINC000170647494 823925966 /nfs/dbraw/zinc/92/59/66/823925966.db2.gz XCWWLECDDLSFLT-CQSZACIVSA-N 1 0 375.900 4.235 20 0 GIADRO Cc1cc(C)c(S(=O)(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c(C)c1 ZINC000462328380 823926457 /nfs/dbraw/zinc/92/64/57/823926457.db2.gz TVJQMPVASCPAJA-MJGOQNOKSA-N 1 0 392.590 4.035 20 0 GIADRO COc1ccc([C@@H](CO)C[NH2+][C@H](C)c2ccc(F)cc2Br)cc1 ZINC000414198983 823927240 /nfs/dbraw/zinc/92/72/40/823927240.db2.gz XATGYHFWWMXYCL-TZMCWYRMSA-N 1 0 382.273 4.024 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)c1 ZINC000414204223 823928225 /nfs/dbraw/zinc/92/82/25/823928225.db2.gz BBUOHIYCDGQDEG-KRWDZBQOSA-N 1 0 384.328 4.044 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H]2CCc3cc(F)c(OC)cc32)c1 ZINC000414206470 823928498 /nfs/dbraw/zinc/92/84/98/823928498.db2.gz FGEXBMIRNVSVGJ-SFHVURJKSA-N 1 0 397.899 4.058 20 0 GIADRO Cc1c2cc(Cl)ccc2oc1C(=O)N(C)C1CC[NH+](C2CCOCC2)CC1 ZINC000065039323 823928739 /nfs/dbraw/zinc/92/87/39/823928739.db2.gz AASUTQIFNUUFRJ-UHFFFAOYSA-N 1 0 390.911 4.110 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H]2CCCc3cc(F)ccc32)c1 ZINC000414208786 823928883 /nfs/dbraw/zinc/92/88/83/823928883.db2.gz JPHUSNJUQIGWGN-IBGZPJMESA-N 1 0 381.900 4.440 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H]2CCCc3cc(OC)ccc32)c1 ZINC000414210768 823929936 /nfs/dbraw/zinc/92/99/36/823929936.db2.gz NDMWMWQPSGKDIR-HXUWFJFHSA-N 1 0 393.936 4.309 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)c2ccc(OC)c(OC)c2)c1 ZINC000414214200 823930839 /nfs/dbraw/zinc/93/08/39/823930839.db2.gz VDGDRWXJHRAPEQ-ZDUSSCGKSA-N 1 0 397.924 4.002 20 0 GIADRO CC1CC[NH+](Cc2ccccc2CNC(=O)N2CC[C@@H](c3cccnc3)C2)CC1 ZINC000575176770 823931740 /nfs/dbraw/zinc/93/17/40/823931740.db2.gz DSZJQZHNILAPCL-HSZRJFAPSA-N 1 0 392.547 4.013 20 0 GIADRO CCc1ccc([C@H]([NH2+][C@H]2CS[C@@H](C)C2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000414220624 823931938 /nfs/dbraw/zinc/93/19/38/823931938.db2.gz CGTOVLJDIFLPBD-DLVCFXQMSA-N 1 0 389.586 4.226 20 0 GIADRO O=C(CSCC1CC[NH2+]CC1)Nc1cccc(CSc2ccccn2)c1 ZINC000575177848 823932632 /nfs/dbraw/zinc/93/26/32/823932632.db2.gz AGZDKKKBGANLAM-UHFFFAOYSA-N 1 0 387.574 4.045 20 0 GIADRO C[NH+]1CCC(Nc2ccccc2NC(=O)CSc2nc3ccccc3o2)CC1 ZINC000170678432 823935256 /nfs/dbraw/zinc/93/52/56/823935256.db2.gz AGHVOPJAZQLWEH-UHFFFAOYSA-N 1 0 396.516 4.065 20 0 GIADRO CC(C)(C)C(=O)N1CCC([NH2+]Cc2cc(Cl)cc(Br)c2)CC1 ZINC000414235398 823935451 /nfs/dbraw/zinc/93/54/51/823935451.db2.gz DLIMAWFIWNPMLV-UHFFFAOYSA-N 1 0 387.749 4.229 20 0 GIADRO Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@H](Cc1ccccc1)CN(C)C ZINC000462352744 823936430 /nfs/dbraw/zinc/93/64/30/823936430.db2.gz OUGUVURICVYJKX-OAQYLSRUSA-N 1 0 382.939 4.097 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@H](C)c2ccc(Br)cc2)cn1 ZINC000414239070 823937105 /nfs/dbraw/zinc/93/71/05/823937105.db2.gz CQSKGGHNUGZARL-QIIPPGSGSA-N 1 0 378.314 4.094 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@@H](C)c2sc(C(C)(C)C)nc2C)cn1 ZINC000414240094 823937485 /nfs/dbraw/zinc/93/74/85/823937485.db2.gz DKZRKCYQAPXSFQ-JLJPHGGASA-N 1 0 376.570 4.394 20 0 GIADRO COc1ccc([C@H](C)[NH2+]Cc2cc(Br)c(OC)c(OC)c2)cc1F ZINC000170684557 823937999 /nfs/dbraw/zinc/93/79/99/823937999.db2.gz JMSCEQGMPDEDGV-NSHDSACASA-N 1 0 398.272 4.465 20 0 GIADRO Clc1cc(Br)cc(C[NH2+]C2CCN(c3ccccn3)CC2)c1 ZINC000414242088 823938050 /nfs/dbraw/zinc/93/80/50/823938050.db2.gz MSCVOSUMMYNEPQ-UHFFFAOYSA-N 1 0 380.717 4.256 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@H](C)c2cccc(-c3ccncc3)c2)cn1 ZINC000414243539 823938291 /nfs/dbraw/zinc/93/82/91/823938291.db2.gz JSBZHJPSNNJCFP-FRGLQRNOSA-N 1 0 376.504 4.393 20 0 GIADRO CC[C@@H](C[NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1)CC(F)(F)F ZINC000414246264 823939830 /nfs/dbraw/zinc/93/98/30/823939830.db2.gz CISYTWSGCORQBC-WLYUNCDWSA-N 1 0 382.426 4.162 20 0 GIADRO OCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000575213839 823940770 /nfs/dbraw/zinc/94/07/70/823940770.db2.gz NIENKZAUGYQFIK-IWEFOYFVSA-N 1 0 377.326 4.449 20 0 GIADRO Cc1ccc(Br)c(C[NH2+][C@H](C)c2cccc(N3CCOCC3)c2)c1 ZINC000414251292 823941143 /nfs/dbraw/zinc/94/11/43/823941143.db2.gz HDEXORFWVWRZLQ-MRXNPFEDSA-N 1 0 389.337 4.445 20 0 GIADRO CC[C@H](c1cccc(OC)c1)[N@H+](C)C[C@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000575213499 823941156 /nfs/dbraw/zinc/94/11/56/823941156.db2.gz FJTOEAHSWYECEL-SIKLNZKXSA-N 1 0 381.520 4.106 20 0 GIADRO Nc1c(Cl)cc(NC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cc1Cl ZINC000192306366 823941331 /nfs/dbraw/zinc/94/13/31/823941331.db2.gz NTOSTVZFGIWXQR-UHFFFAOYSA-N 1 0 393.318 4.315 20 0 GIADRO OC[C@H](C[NH2+]Cc1ccc(Br)cc1Cl)Cc1ccc(F)cc1 ZINC000462363283 823941644 /nfs/dbraw/zinc/94/16/44/823941644.db2.gz DRUCQQHNJNAAQP-ZDUSSCGKSA-N 1 0 386.692 4.182 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000126751359 823941960 /nfs/dbraw/zinc/94/19/60/823941960.db2.gz NCQAHAPQGGCMRE-UHFFFAOYSA-N 1 0 393.462 4.469 20 0 GIADRO CC(C)C[C@@H](NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1)c1cccs1 ZINC000065104751 823943289 /nfs/dbraw/zinc/94/32/89/823943289.db2.gz NQJLXMHEIUFBML-HXUWFJFHSA-N 1 0 385.577 4.013 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](C)CC(F)(F)F)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000414257059 823943438 /nfs/dbraw/zinc/94/34/38/823943438.db2.gz DEFCAXVESRKXSD-LSDHHAIUSA-N 1 0 392.487 4.100 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)c2n[nH]c(-c3ccccc3)c2Br)c1 ZINC000065106890 823944167 /nfs/dbraw/zinc/94/41/67/823944167.db2.gz BGGKHSLKQFXZOW-UHFFFAOYSA-N 1 0 399.292 4.153 20 0 GIADRO COc1ccc(OC)c(CC[NH2+]Cc2cn(-c3ccc(Cl)cc3)nc2C)c1 ZINC000462369154 823944786 /nfs/dbraw/zinc/94/47/86/823944786.db2.gz OTDKRMOKERMSHB-UHFFFAOYSA-N 1 0 385.895 4.184 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1c(C)noc1C)c1ccc(C(F)(F)F)cc1 ZINC000065121854 823947605 /nfs/dbraw/zinc/94/76/05/823947605.db2.gz BGZUZKVKGNMGFZ-INIZCTEOSA-N 1 0 383.414 4.123 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(C2CC2)on1)c1ccc(C(F)(F)F)cc1 ZINC000065121769 823947638 /nfs/dbraw/zinc/94/76/38/823947638.db2.gz VBGKNVJLXAGNBE-KRWDZBQOSA-N 1 0 395.425 4.384 20 0 GIADRO Cc1cnc(NC(=O)N(CC[NH+](C)C)Cc2cccc(C(F)(F)F)c2)s1 ZINC000126774037 823948009 /nfs/dbraw/zinc/94/80/09/823948009.db2.gz JTMUICPGSMVQKQ-UHFFFAOYSA-N 1 0 386.443 4.066 20 0 GIADRO O=C(Oc1cccc(Oc2ncccn2)c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000170707231 823948703 /nfs/dbraw/zinc/94/87/03/823948703.db2.gz AOWGAEVOUNILCU-LJQANCHMSA-N 1 0 389.455 4.087 20 0 GIADRO CN(C(=O)[C@@H]1CCCC[C@H]1C(F)(F)F)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000126780940 823949271 /nfs/dbraw/zinc/94/92/71/823949271.db2.gz JTFCJLWPMNOBKZ-RTBURBONSA-N 1 0 398.469 4.493 20 0 GIADRO CCn1ccnc1[C@H](C)[NH2+]CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000575248918 823950612 /nfs/dbraw/zinc/95/06/12/823950612.db2.gz YJPBROQGUFJNRI-KRWDZBQOSA-N 1 0 378.476 4.375 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(C)(C)Oc2ccc(Cl)cc2)C1 ZINC000065140846 823950791 /nfs/dbraw/zinc/95/07/91/823950791.db2.gz UQBQQQPGSYWVET-APWZRJJASA-N 1 0 386.923 4.449 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)C1(CNC(=O)OC(C)(C)C)CCCC1 ZINC000126787264 823951498 /nfs/dbraw/zinc/95/14/98/823951498.db2.gz NHGJEWUIKMPRPM-UHFFFAOYSA-N 1 0 389.540 4.080 20 0 GIADRO C[C@H]([NH2+]C[C@@H]1CCCN(Cc2cccs2)C1)c1ccc(N2CCOC2=O)cc1 ZINC000126790796 823951939 /nfs/dbraw/zinc/95/19/39/823951939.db2.gz ZSIBZASLDKMAAW-ROUUACIJSA-N 1 0 399.560 4.268 20 0 GIADRO O=C(NCCc1c[nH]c2cc(F)ccc12)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000065157953 823952940 /nfs/dbraw/zinc/95/29/40/823952940.db2.gz YYDAZAGKHBVIGA-SFHVURJKSA-N 1 0 397.469 4.017 20 0 GIADRO COc1ccc(CN(C)C(=O)C[N@@H+](Cc2ccccc2)CC2CCC2)cc1F ZINC000065161403 823954446 /nfs/dbraw/zinc/95/44/46/823954446.db2.gz MRKHUGUZFQWPNC-UHFFFAOYSA-N 1 0 384.495 4.095 20 0 GIADRO C[C@H]([NH2+][C@H]1CCCc2c(O)cccc21)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000192351538 823956123 /nfs/dbraw/zinc/95/61/23/823956123.db2.gz TUUTVIWMBXXRQR-YOEHRIQHSA-N 1 0 395.528 4.016 20 0 GIADRO COCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCN(Cc3cccs3)C2)cc1 ZINC000126806635 823956174 /nfs/dbraw/zinc/95/61/74/823956174.db2.gz PJVJKYJAKPGHEP-MOPGFXCFSA-N 1 0 388.577 4.336 20 0 GIADRO CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H](CO)c2ccc(F)cc2)cc1 ZINC000414314780 823956135 /nfs/dbraw/zinc/95/61/35/823956135.db2.gz QVDFWMIZGLTSLN-VQIMIIECSA-N 1 0 387.499 4.126 20 0 GIADRO COCCCC[N@H+](Cc1ccccc1)Cc1cc(=O)oc2cc(OC)ccc12 ZINC000065165781 823956445 /nfs/dbraw/zinc/95/64/45/823956445.db2.gz KBCCLDNEVILJNP-UHFFFAOYSA-N 1 0 381.472 4.230 20 0 GIADRO C[C@H]([NH2+][C@H]1CCCc2c(O)cccc21)C(=O)Nc1ccccc1C(F)(F)F ZINC000192352679 823956612 /nfs/dbraw/zinc/95/66/12/823956612.db2.gz UCZPUCIEDAJLCV-LRDDRELGSA-N 1 0 378.394 4.405 20 0 GIADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H]2CCCC[C@H]2F)CC1 ZINC000414316618 823956705 /nfs/dbraw/zinc/95/67/05/823956705.db2.gz UTALLMXVEYWWBZ-QZTJIDSGSA-N 1 0 397.332 4.232 20 0 GIADRO CC(C)COc1ccc(CC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000126809118 823956885 /nfs/dbraw/zinc/95/68/85/823956885.db2.gz OXFWYDIVFUMWPD-UHFFFAOYSA-N 1 0 395.547 4.034 20 0 GIADRO CN(C(=O)c1cc2c(ccc3ccccc23)[nH]1)C1CC[NH+](C2CCOCC2)CC1 ZINC000065174463 823957015 /nfs/dbraw/zinc/95/70/15/823957015.db2.gz COPMRRCBNPXYEC-UHFFFAOYSA-N 1 0 391.515 4.037 20 0 GIADRO NC(=O)CC[C@@H]1CCC[N@H+](Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000170733795 823957629 /nfs/dbraw/zinc/95/76/29/823957629.db2.gz PIMPXUOXURSRGB-ZDUSSCGKSA-N 1 0 397.466 4.306 20 0 GIADRO c1nc(CNC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)sc1-c1ccccc1 ZINC000192355903 823957815 /nfs/dbraw/zinc/95/78/15/823957815.db2.gz HTYZZIKQXKBZGK-NRFANRHFSA-N 1 0 393.556 4.191 20 0 GIADRO c1nc(C2CCCC2)sc1CNC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000192356766 823957855 /nfs/dbraw/zinc/95/78/55/823957855.db2.gz YWGKICNFMZZOGU-HXUWFJFHSA-N 1 0 385.577 4.181 20 0 GIADRO CS(=O)(=O)c1ccc(C[NH2+]CC2(c3c(F)cccc3F)CCCC2)s1 ZINC000414321534 823957949 /nfs/dbraw/zinc/95/79/49/823957949.db2.gz RASQTSLXKNTPLK-UHFFFAOYSA-N 1 0 385.501 4.031 20 0 GIADRO c1nc(-c2ccccc2)sc1CNC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000192356058 823958048 /nfs/dbraw/zinc/95/80/48/823958048.db2.gz QJPVZBOMVSQBMQ-NRFANRHFSA-N 1 0 393.556 4.191 20 0 GIADRO Cc1cccc([C@@H]([NH2+]CC2(CS(C)(=O)=O)CCC2)c2cccc(F)c2)c1 ZINC000414325567 823958784 /nfs/dbraw/zinc/95/87/84/823958784.db2.gz KJXBQBDLCTVHAK-HXUWFJFHSA-N 1 0 375.509 4.028 20 0 GIADRO CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000192360471 823959085 /nfs/dbraw/zinc/95/90/85/823959085.db2.gz HHSJAAITTUEVIK-FZKQIMNGSA-N 1 0 392.455 4.335 20 0 GIADRO O=C1[C@H]([NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)CCN1c1ccc(F)cc1 ZINC000414329199 823959287 /nfs/dbraw/zinc/95/92/87/823959287.db2.gz ZPCJQUIYQYPDAL-QZTJIDSGSA-N 1 0 393.384 4.012 20 0 GIADRO C[C@@H](NC(=O)[C@H](C)[NH2+][C@@H]1CCCc2c(O)cccc21)c1cc2ccccc2o1 ZINC000192365305 823959868 /nfs/dbraw/zinc/95/98/68/823959868.db2.gz BOYKXAPQASGLPP-ZRGWGRIASA-N 1 0 378.472 4.371 20 0 GIADRO Brc1ccc(Br)c(C[NH2+][C@H]2CCC23CCOCC3)c1 ZINC000575349304 823959875 /nfs/dbraw/zinc/95/98/75/823959875.db2.gz XKECOEBDEAQCDY-AWEZNQCLSA-N 1 0 389.131 4.260 20 0 GIADRO C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000414336893 823960766 /nfs/dbraw/zinc/96/07/66/823960766.db2.gz HXOZXTZASNAXPJ-SNVBAGLBSA-N 1 0 378.346 4.179 20 0 GIADRO Cc1cc2ncc([C@@H](C)[NH2+][C@@H](C)Cc3cn(C)c4ccc(F)cc34)c(C)n2n1 ZINC000414336109 823960862 /nfs/dbraw/zinc/96/08/62/823960862.db2.gz CSIWMDURKPMNND-DZGCQCFKSA-N 1 0 379.483 4.259 20 0 GIADRO CCN(C(=O)C[NH2+][C@@H]1CCCc2c(O)cccc21)c1nc2ccccc2s1 ZINC000192368348 823960981 /nfs/dbraw/zinc/96/09/81/823960981.db2.gz CGLPRLIWHRHPDD-MRXNPFEDSA-N 1 0 381.501 4.022 20 0 GIADRO C[C@@H](Cc1cn(C)c2ccc(F)cc12)[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000414339150 823961189 /nfs/dbraw/zinc/96/11/89/823961189.db2.gz FXLPPAJGNVLMIA-INIZCTEOSA-N 1 0 387.543 4.265 20 0 GIADRO C[C@H](Cc1cn(C)c2ccc(F)cc12)[NH2+][C@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000414343409 823961940 /nfs/dbraw/zinc/96/19/40/823961940.db2.gz AYMBXHSCGXYBQU-HZPDHXFCSA-N 1 0 381.495 4.301 20 0 GIADRO C[C@@H]([NH2+]C1CCN(Cc2cccc(Br)c2)CC1)c1ccncc1F ZINC000414346341 823962275 /nfs/dbraw/zinc/96/22/75/823962275.db2.gz FXACHEADRRWHDB-CQSZACIVSA-N 1 0 392.316 4.298 20 0 GIADRO C[C@H]([NH2+]C1CCN(Cc2cccc(Br)c2)CC1)c1ccncc1F ZINC000414346339 823962334 /nfs/dbraw/zinc/96/23/34/823962334.db2.gz FXACHEADRRWHDB-AWEZNQCLSA-N 1 0 392.316 4.298 20 0 GIADRO CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3ccc(F)cc3)C2)cc1 ZINC000414351409 823962898 /nfs/dbraw/zinc/96/28/98/823962898.db2.gz RPERAAMHYCUPIZ-UZLBHIALSA-N 1 0 384.499 4.285 20 0 GIADRO CC(C)NC(=O)[C@H](C)[NH2+][C@@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21 ZINC000414353912 823963313 /nfs/dbraw/zinc/96/33/13/823963313.db2.gz ZPXIFZANXBKRLU-SWLSCSKDSA-N 1 0 377.941 4.344 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000170757760 823963397 /nfs/dbraw/zinc/96/33/97/823963397.db2.gz IZFIAFLDKROQMI-QGZVFWFLSA-N 1 0 381.973 4.393 20 0 GIADRO C/C(=C\C(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1)c1ccccc1Cl ZINC000170759767 823963812 /nfs/dbraw/zinc/96/38/12/823963812.db2.gz ACDZBJOHAIUSBC-ISLYRVAYSA-N 1 0 397.950 4.304 20 0 GIADRO O=C(NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCCCO1 ZINC000126841844 823964438 /nfs/dbraw/zinc/96/44/38/823964438.db2.gz ISMKSRKIPUUKAJ-HSZRJFAPSA-N 1 0 378.516 4.135 20 0 GIADRO CN(C)c1ncc(C[NH2+][C@@H](c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)n1C ZINC000414361888 823965212 /nfs/dbraw/zinc/96/52/12/823965212.db2.gz DDOJLBIHMCATBH-MRXNPFEDSA-N 1 0 386.849 4.399 20 0 GIADRO CC(C)(C[NH2+]Cc1ccc(S(C)(=O)=O)s1)c1c(F)cccc1Cl ZINC000414362956 823965368 /nfs/dbraw/zinc/96/53/68/823965368.db2.gz WWOFPPUZPNROGK-UHFFFAOYSA-N 1 0 375.918 4.012 20 0 GIADRO COc1ccc2oc(C[NH2+][C@H](CO)c3cccc(Br)c3)cc2c1 ZINC000126849064 823965930 /nfs/dbraw/zinc/96/59/30/823965930.db2.gz CEEHVZCUJLLSJR-QGZVFWFLSA-N 1 0 376.250 4.027 20 0 GIADRO O=C(CC[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1)N[C@@H](c1cccs1)c1ccccc1 ZINC000575398416 823966334 /nfs/dbraw/zinc/96/63/34/823966334.db2.gz LYQQKSAOWMZHMU-MIZPHKNDSA-N 1 0 398.572 4.235 20 0 GIADRO O=C(c1ccc2ccccc2c1)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000575400286 823967209 /nfs/dbraw/zinc/96/72/09/823967209.db2.gz XQRHIILLRVQXRZ-UHFFFAOYSA-N 1 0 388.515 4.050 20 0 GIADRO COc1cccc([C@@H](C)C(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)c1 ZINC000170774502 823967459 /nfs/dbraw/zinc/96/74/59/823967459.db2.gz BXPVMRHNRNHSEZ-LJQANCHMSA-N 1 0 380.532 4.169 20 0 GIADRO CCN(CC)c1ccc(C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2Cl)cn1 ZINC000126856300 823967728 /nfs/dbraw/zinc/96/77/28/823967728.db2.gz YCGOMBIDJQPQLA-OAHLLOKOSA-N 1 0 384.915 4.013 20 0 GIADRO CC[N@H+](Cc1cn(-c2cccc(F)c2)nc1C)Cc1ccc(C(=O)N(C)C)cc1 ZINC000414376910 823968637 /nfs/dbraw/zinc/96/86/37/823968637.db2.gz ALYYYCPXCIBQDY-UHFFFAOYSA-N 1 0 394.494 4.044 20 0 GIADRO Cc1nc(-c2ccc(C)cc2C)sc1C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000126863747 823968972 /nfs/dbraw/zinc/96/89/72/823968972.db2.gz SQISKMDFWWFGCV-SFHVURJKSA-N 1 0 383.561 4.293 20 0 GIADRO C[C@@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000126865332 823969451 /nfs/dbraw/zinc/96/94/51/823969451.db2.gz YRAWUMQGEKKRAJ-HKUYNNGSSA-N 1 0 377.488 4.054 20 0 GIADRO COCCCOc1cc(C)ccc1C[NH2+]Cc1cn(-c2cccc(F)c2)nc1C ZINC000414387034 823970758 /nfs/dbraw/zinc/97/07/58/823970758.db2.gz ZNFLOUOCJGRFHN-UHFFFAOYSA-N 1 0 397.494 4.333 20 0 GIADRO Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ncc(C(C)C)s2)C1 ZINC000192400098 823970809 /nfs/dbraw/zinc/97/08/09/823970809.db2.gz TVACHDGTWQVKCE-CQSZACIVSA-N 1 0 393.582 4.017 20 0 GIADRO Cc1ccc(Cc2cnc(NC(=O)N3CCC([NH2+]C(C)C)CC3)s2)cc1F ZINC000170791258 823972317 /nfs/dbraw/zinc/97/23/17/823972317.db2.gz BQIOIPRBRQZDHD-UHFFFAOYSA-N 1 0 390.528 4.176 20 0 GIADRO Cc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000170791250 823972420 /nfs/dbraw/zinc/97/24/20/823972420.db2.gz RNMDWPVMZVGGQI-UHFFFAOYSA-N 1 0 397.567 4.473 20 0 GIADRO C[C@H]([NH2+][C@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1)c1cccc(O)c1 ZINC000575473043 823973257 /nfs/dbraw/zinc/97/32/57/823973257.db2.gz YSWKXVMMMYDABN-SZMVWBNQSA-N 1 0 378.472 4.040 20 0 GIADRO CN(C(=O)c1cc2cc(F)ccc2o1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000126884189 823973974 /nfs/dbraw/zinc/97/39/74/823973974.db2.gz OBAZLGNMDHGUBS-UHFFFAOYSA-N 1 0 382.435 4.323 20 0 GIADRO C[C@H](CC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C)c1ccc(F)c(Br)c1 ZINC000462436326 823975105 /nfs/dbraw/zinc/97/51/05/823975105.db2.gz MQMFHGUJSBUBJN-LBTNJELSSA-N 1 0 397.332 4.167 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)C(C)(C)c1ccc(Cl)cc1 ZINC000126901787 823977247 /nfs/dbraw/zinc/97/72/47/823977247.db2.gz BAQZPMANKNKGRI-UHFFFAOYSA-N 1 0 385.939 4.388 20 0 GIADRO COc1ccc(CNc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)cc1O ZINC000126904652 823977949 /nfs/dbraw/zinc/97/79/49/823977949.db2.gz WANBWNVVDJOBND-UHFFFAOYSA-N 1 0 397.519 4.218 20 0 GIADRO CCCCOc1cc(C[N@@H+]2CC[C@H](OCc3c(C)noc3C)C2)ccc1OC ZINC000575600652 823978900 /nfs/dbraw/zinc/97/89/00/823978900.db2.gz ZLGVMBAADMDNAC-IBGZPJMESA-N 1 0 388.508 4.270 20 0 GIADRO Cc1nn(C)c2ncc(C[N@H+](Cc3ccc4c(c3)CCO4)C3CCCC3)cc12 ZINC000170817321 823979165 /nfs/dbraw/zinc/97/91/65/823979165.db2.gz FLMNJGADMIEFDL-UHFFFAOYSA-N 1 0 376.504 4.156 20 0 GIADRO CCS(=O)(=O)CCCCC[NH2+]C(C)(C)c1ccc(Br)c(C)c1 ZINC000575622955 823979341 /nfs/dbraw/zinc/97/93/41/823979341.db2.gz PSWYYZUZYCWQEW-UHFFFAOYSA-N 1 0 390.387 4.187 20 0 GIADRO CC(C)[C@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)N(C)[C@@H]3CCC[C@@H](C)C3)c2C1 ZINC000170820274 823979514 /nfs/dbraw/zinc/97/95/14/823979514.db2.gz VNSXYKXRPSWDNT-ZIFCJYIRSA-N 1 0 385.552 4.022 20 0 GIADRO CCc1ccccc1NC(=O)[C@H](C)Nc1cccc2c1C[N@H+](CCCOC)C2 ZINC000170822951 823979967 /nfs/dbraw/zinc/97/99/67/823979967.db2.gz HLEGPVZRXIZZCB-KRWDZBQOSA-N 1 0 381.520 4.040 20 0 GIADRO CN(Cc1ccccc1)c1ccccc1NC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000170828367 823982275 /nfs/dbraw/zinc/98/22/75/823982275.db2.gz LXWBUEFOCWZODC-UHFFFAOYSA-N 1 0 392.547 4.319 20 0 GIADRO CN(C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000126933368 823984348 /nfs/dbraw/zinc/98/43/48/823984348.db2.gz AOJWJTWPFDOLLV-IRXDYDNUSA-N 1 0 398.469 4.493 20 0 GIADRO Cc1cc(OC[C@@H](O)C[NH2+]C[C@@H](C)c2nccs2)c(C(C)C)cc1Cl ZINC000575742568 823984774 /nfs/dbraw/zinc/98/47/74/823984774.db2.gz LHEYRXKETPIHFG-CABCVRRESA-N 1 0 382.957 4.361 20 0 GIADRO F[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Br)ccc1OCc1ccccn1 ZINC000575747781 823985225 /nfs/dbraw/zinc/98/52/25/823985225.db2.gz KFZJHDCOOKTAEA-SJORKVTESA-N 1 0 379.273 4.403 20 0 GIADRO Cc1ccc(SCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C2CC2)cc1 ZINC000575755874 823986384 /nfs/dbraw/zinc/98/63/84/823986384.db2.gz IHDZEAOISSEWRM-UHFFFAOYSA-N 1 0 385.581 4.134 20 0 GIADRO O=C(c1cn(Cc2ccccc2)c2ccccc12)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000126945971 823987229 /nfs/dbraw/zinc/98/72/29/823987229.db2.gz JEQKZXYVKVGZKR-NRFANRHFSA-N 1 0 387.527 4.248 20 0 GIADRO COc1cccc(COC[C@H](O)C[N@H+](CC(C)C)[C@@H]2CCCc3cccnc32)c1 ZINC000126958041 823989332 /nfs/dbraw/zinc/98/93/32/823989332.db2.gz GXISTNRRQWVPLT-FYYLOGMGSA-N 1 0 398.547 4.003 20 0 GIADRO COc1cccc([C@H](C)C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)c1 ZINC000170849684 823990109 /nfs/dbraw/zinc/99/01/09/823990109.db2.gz VRWKYDPDKXGWOT-INIZCTEOSA-N 1 0 399.510 4.107 20 0 GIADRO c1ccc2nc(N3CCCCC3)c(C[NH+]3CCC(c4ccncn4)CC3)cc2c1 ZINC000414472473 823991301 /nfs/dbraw/zinc/99/13/01/823991301.db2.gz SAVCKWDYIZCTPI-UHFFFAOYSA-N 1 0 387.531 4.395 20 0 GIADRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)CC[C@H](C)NC(=O)OC(C)(C)C)c2C1 ZINC000192438090 823993042 /nfs/dbraw/zinc/99/30/42/823993042.db2.gz JPELOCONJXDDLP-INIZCTEOSA-N 1 0 389.540 4.290 20 0 GIADRO COc1cccc([C@H](C)CC(=O)NC[C@@H](c2ccc(SC)cc2)[NH+](C)C)c1 ZINC000575779887 823992995 /nfs/dbraw/zinc/99/29/95/823992995.db2.gz JILNEUPJDPWLLC-IERDGZPVSA-N 1 0 386.561 4.330 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000126980593 823993501 /nfs/dbraw/zinc/99/35/01/823993501.db2.gz OFNCMNYKNCPTIT-ROUUACIJSA-N 1 0 398.469 4.198 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]Cc2cccn2CCC(C)C)c1 ZINC000414493881 823994574 /nfs/dbraw/zinc/99/45/74/823994574.db2.gz JOICGVQGNFBRCG-UHFFFAOYSA-N 1 0 382.957 4.271 20 0 GIADRO C[C@H](CNC(=O)c1c(Cl)nccc1C(F)(F)F)[N@H+](C)Cc1ccccc1 ZINC000126985843 823995044 /nfs/dbraw/zinc/99/50/44/823995044.db2.gz LQEAAMYZQICAJK-GFCCVEGCSA-N 1 0 385.817 4.004 20 0 GIADRO COc1cccc2c1CC[C@@H]([NH2+]CCc1nc(-c3ccc(Cl)cc3)no1)C2 ZINC000192445358 823995350 /nfs/dbraw/zinc/99/53/50/823995350.db2.gz NNIJEMJJVYMBHP-QGZVFWFLSA-N 1 0 383.879 4.088 20 0 GIADRO CSc1ccc(C[NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)s1 ZINC000575788535 823996612 /nfs/dbraw/zinc/99/66/12/823996612.db2.gz QZYXAKJDDPISJK-GASCZTMLSA-N 1 0 390.574 4.009 20 0 GIADRO O=C(Nc1ccc(OCc2cccc(F)c2)c(F)c1)C1CC[NH+](C2CC2)CC1 ZINC000192450419 823996720 /nfs/dbraw/zinc/99/67/20/823996720.db2.gz PWELOAUXSTXYGL-UHFFFAOYSA-N 1 0 386.442 4.357 20 0 GIADRO C[C@H](NC(=O)C1CC[NH+](C2CC2)CC1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000192450267 823996868 /nfs/dbraw/zinc/99/68/68/823996868.db2.gz VJBSPQHGOGFZOR-KRWDZBQOSA-N 1 0 396.506 4.456 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+]Cc2c(Cl)cccc2N2CCCC2)cn1 ZINC000414504432 823997029 /nfs/dbraw/zinc/99/70/29/823997029.db2.gz OAQSQCZJHTXWFT-HRAATJIYSA-N 1 0 388.943 4.024 20 0 GIADRO CS(=O)(=O)c1ccccc1C[NH2+][C@@H]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000414510134 823998285 /nfs/dbraw/zinc/99/82/85/823998285.db2.gz UFRPPFNBCLMZPH-LJQANCHMSA-N 1 0 375.921 4.469 20 0 GIADRO COc1cc(C[NH2+]C[C@@H]2C[C@H](C)O[C@@H]2C)cc(OC)c1OCc1ccccc1 ZINC000414510870 823998483 /nfs/dbraw/zinc/99/84/83/823998483.db2.gz FWHYKKSFGKLJMO-QKLQHJQFSA-N 1 0 385.504 4.186 20 0 GIADRO CC(C)N1CCc2nc(C[NH2+]CC3(c4c(F)cccc4F)CCC3)sc2C1 ZINC000414512151 823998729 /nfs/dbraw/zinc/99/87/29/823998729.db2.gz ZNBUBZCDHMLRQB-UHFFFAOYSA-N 1 0 391.531 4.399 20 0 GIADRO COCC1CCC([NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC1 ZINC000414511120 823998853 /nfs/dbraw/zinc/99/88/53/823998853.db2.gz JSPXHXAHKWMEMB-UHFFFAOYSA-N 1 0 378.314 4.134 20 0 GIADRO C[C@H](C[NH2+]CC1(c2c(F)cccc2F)CCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000414511817 823998976 /nfs/dbraw/zinc/99/89/76/823998976.db2.gz YLIKAMNOZFXNNI-OAHLLOKOSA-N 1 0 393.499 4.183 20 0 GIADRO O=C(/C=C/c1ccc(Cl)cc1)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000127005139 823999194 /nfs/dbraw/zinc/99/91/94/823999194.db2.gz HDSGDRSNAKVVFG-RMKNXTFCSA-N 1 0 384.907 4.196 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3sccc3-n3cccc3)c(C)c2)CC1 ZINC000192462505 824000309 /nfs/dbraw/zinc/00/03/09/824000309.db2.gz JNGRGUAALHLCSM-UHFFFAOYSA-N 1 0 394.544 4.241 20 0 GIADRO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1ccc(N2CCOC2=O)cc1)CC3 ZINC000127019550 824001518 /nfs/dbraw/zinc/00/15/18/824001518.db2.gz RUWPUFMXPWJJGO-QGZVFWFLSA-N 1 0 375.472 4.080 20 0 GIADRO C[C@@]12CCCN1C[C@@H](c1noc(C3(c4ccc(C(F)(F)F)cc4)CC3)n1)OC2 ZINC000575812699 824002065 /nfs/dbraw/zinc/00/20/65/824002065.db2.gz NXWSLILBNHBNGK-YJBOKZPZSA-N 1 0 393.409 4.094 20 0 GIADRO OCC1([C@H]([NH2+]Cc2ccc(F)c(C(F)(F)F)c2)c2ccccc2)CCOCC1 ZINC000414534939 824004447 /nfs/dbraw/zinc/00/44/47/824004447.db2.gz HHIPAWLEUJVUAX-LJQANCHMSA-N 1 0 397.412 4.465 20 0 GIADRO CCCCOc1ccc(C[NH2+]Cc2ccc3c(c2)sc(=O)n3C)cc1OC ZINC000192474836 824004830 /nfs/dbraw/zinc/00/48/30/824004830.db2.gz WXZQLECVLXTDSJ-UHFFFAOYSA-N 1 0 386.517 4.077 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@@H]2CCN(C(=O)C3CCCC3)C2)ccc1SC(F)F ZINC000127037245 824005342 /nfs/dbraw/zinc/00/53/42/824005342.db2.gz CYWRAUSHDJNREJ-CZUORRHYSA-N 1 0 398.519 4.452 20 0 GIADRO C[N@H+]1C[C@H]2CN(C(=O)c3sc4cc(C(F)(F)F)ccc4c3Cl)C[C@H]2C1 ZINC000192478674 824006696 /nfs/dbraw/zinc/00/66/96/824006696.db2.gz WNGALDICEJEXSL-AOOOYVTPSA-N 1 0 388.842 4.207 20 0 GIADRO COc1cccc2c(C[NH2+][C@@H](c3ccccc3)C3(CO)CCOCC3)cccc12 ZINC000414543431 824006895 /nfs/dbraw/zinc/00/68/95/824006895.db2.gz TXJQNVIXAFYVFA-DEOSSOPVSA-N 1 0 391.511 4.468 20 0 GIADRO COc1ccc2cc(C[NH2+][C@H](c3ccccc3)C3(CO)CCOCC3)ccc2c1 ZINC000414546900 824007885 /nfs/dbraw/zinc/00/78/85/824007885.db2.gz YRRAXLPHASSFNN-XMMPIXPASA-N 1 0 391.511 4.468 20 0 GIADRO COc1cc2ccccc2cc1C[NH2+][C@@H](c1ccccc1)C1(CO)CCOCC1 ZINC000414547459 824007991 /nfs/dbraw/zinc/00/79/91/824007991.db2.gz ZQCGRZMPNWMMCL-DEOSSOPVSA-N 1 0 391.511 4.468 20 0 GIADRO C[NH+](C)C1CCN(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000192486120 824008485 /nfs/dbraw/zinc/00/84/85/824008485.db2.gz AEZUPNXIBUJMTJ-UHFFFAOYSA-N 1 0 383.336 4.282 20 0 GIADRO CCOc1cc(C[N@H+](CCc2ccccn2)Cc2ccncc2)ccc1OC ZINC000575837622 824008638 /nfs/dbraw/zinc/00/86/38/824008638.db2.gz IHIBGFYQLPCTBN-UHFFFAOYSA-N 1 0 377.488 4.129 20 0 GIADRO COCCNc1ccc(C[NH2+][C@H](C)c2ccc(F)cc2Br)cc1 ZINC000127061436 824009351 /nfs/dbraw/zinc/00/93/51/824009351.db2.gz XKMAVFNEZTZHHM-CYBMUJFWSA-N 1 0 381.289 4.497 20 0 GIADRO CN(C)c1cc(Cl)cc(Cl)c1C[N@@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000414552196 824010159 /nfs/dbraw/zinc/01/01/59/824010159.db2.gz PXCVHFMMTKOYMC-OAHLLOKOSA-N 1 0 384.351 4.036 20 0 GIADRO CC(C)C[N@H+](CCC(=O)Nc1cc(N)ccc1F)[C@@H]1CCCc2cccnc21 ZINC000127075450 824012043 /nfs/dbraw/zinc/01/20/43/824012043.db2.gz ZVKQYZLCMCNKTR-HXUWFJFHSA-N 1 0 384.499 4.167 20 0 GIADRO CC[NH+]1CCC(n2nccc2NC(=O)[C@H](C)Oc2cccc3ccccc32)CC1 ZINC000192499406 824012076 /nfs/dbraw/zinc/01/20/76/824012076.db2.gz OLUFAISZERDYKM-KRWDZBQOSA-N 1 0 392.503 4.099 20 0 GIADRO OC[C@H]1C[N@H+](Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)CC[C@@H]1O ZINC000414560289 824012484 /nfs/dbraw/zinc/01/24/84/824012484.db2.gz QMOWHUUIESEJBF-BWKNWUBXSA-N 1 0 388.511 4.332 20 0 GIADRO COc1ccc(C[N@@H+]2CCC[C@@H](CCC(=O)OC(C)(C)C)C2)c(OC)c1OC ZINC000414560859 824012849 /nfs/dbraw/zinc/01/28/49/824012849.db2.gz RNWGBSOMJZXOLR-INIZCTEOSA-N 1 0 393.524 4.046 20 0 GIADRO CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]C1(CO)C2CC3CC(C2)CC1C3 ZINC000414565318 824013993 /nfs/dbraw/zinc/01/39/93/824013993.db2.gz WKGZXJDPVBEEME-PIPNEPMNSA-N 1 0 384.564 4.304 20 0 GIADRO Fc1ccc(N2CC[C@H]([NH2+]Cc3ccccc3OCc3ccncc3)C2)cc1 ZINC000414580150 824015229 /nfs/dbraw/zinc/01/52/29/824015229.db2.gz JICAZFGHTMVXCZ-NRFANRHFSA-N 1 0 377.463 4.168 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(c3ccccc3C)CC2)c1 ZINC000170953793 824015742 /nfs/dbraw/zinc/01/57/42/824015742.db2.gz CBXPKUDCTKNZPJ-QGZVFWFLSA-N 1 0 379.504 4.160 20 0 GIADRO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000192510111 824015976 /nfs/dbraw/zinc/01/59/76/824015976.db2.gz LFFLNOGLLSHLRC-XMMPIXPASA-N 1 0 388.515 4.477 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cc2ccccc2c(Cl)n1 ZINC000192513267 824016376 /nfs/dbraw/zinc/01/63/76/824016376.db2.gz ZRJCPNGUFNFFHH-UHFFFAOYSA-N 1 0 394.906 4.201 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)c2ccccc2CC2CC[NH2+]CC2)cc1Cl ZINC000575869306 824016413 /nfs/dbraw/zinc/01/64/13/824016413.db2.gz LPHLNGDQYQXYOV-UHFFFAOYSA-N 1 0 385.895 4.093 20 0 GIADRO O=C(C[NH2+][C@H](c1ccccc1)C1CC1)Nc1c(F)cc(F)cc1Br ZINC000192512689 824016477 /nfs/dbraw/zinc/01/64/77/824016477.db2.gz LLNRYFQWWJUODH-QGZVFWFLSA-N 1 0 395.247 4.407 20 0 GIADRO CS(=O)(=O)c1ccc(C[NH2+]CCCCc2cccc(C(F)(F)F)c2)cc1 ZINC000192514103 824016901 /nfs/dbraw/zinc/01/69/01/824016901.db2.gz PERVDXFJGQKGJU-UHFFFAOYSA-N 1 0 385.451 4.221 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(Oc2ccc(C(C)=O)cc2)cc1 ZINC000127102559 824017909 /nfs/dbraw/zinc/01/79/09/824017909.db2.gz ZUTUTLVKSWLCPP-RTWAWAEBSA-N 1 0 392.499 4.380 20 0 GIADRO C[NH+](C)C[C@@H]1CCN(C(=O)Nc2ccccc2-c2cc(F)c(F)c(F)c2)C1 ZINC000127114271 824020437 /nfs/dbraw/zinc/02/04/37/824020437.db2.gz ZJZSCLYFPLNQRI-ZDUSSCGKSA-N 1 0 377.410 4.186 20 0 GIADRO COc1cc(C[N@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)cc(Cl)c1OC ZINC000127119040 824021201 /nfs/dbraw/zinc/02/12/01/824021201.db2.gz ZHBKSWSTNUYIIK-CQSZACIVSA-N 1 0 386.883 4.131 20 0 GIADRO CC[C@H](C)c1ccc([C@@H](NC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)C(C)C)cc1 ZINC000414658891 824021273 /nfs/dbraw/zinc/02/12/73/824021273.db2.gz KJFNIQSOLAKYGA-AOMKIAJQSA-N 1 0 393.531 4.255 20 0 GIADRO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]Cc1ccccc1-n1cccn1 ZINC000127120196 824021702 /nfs/dbraw/zinc/02/17/02/824021702.db2.gz IYWPRJUBHQYVBL-UHFFFAOYSA-N 1 0 393.441 4.243 20 0 GIADRO [NH3+]CC[C@H]1CCCN(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000414675481 824022608 /nfs/dbraw/zinc/02/26/08/824022608.db2.gz FYZIIDYUBHXXLT-SNVBAGLBSA-N 1 0 383.336 4.317 20 0 GIADRO Cc1[nH+]c2c(n1[C@H]1CCN(C(=O)C3(Oc4ccc(Cl)cc4)CC3)C1)CCCC2 ZINC000575903578 824024505 /nfs/dbraw/zinc/02/45/05/824024505.db2.gz LETAKXPZZPYJHX-KRWDZBQOSA-N 1 0 399.922 4.109 20 0 GIADRO Cc1ccc(NC(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)c(Br)c1 ZINC000414707229 824025194 /nfs/dbraw/zinc/02/51/94/824025194.db2.gz YQUJWWQDRHZBTN-YOEHRIQHSA-N 1 0 380.330 4.144 20 0 GIADRO C[C@@H](c1ccncc1)N(C)C(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000127142687 824025543 /nfs/dbraw/zinc/02/55/43/824025543.db2.gz WCQRMAVTUBJALO-ZCNNSNEGSA-N 1 0 394.563 4.462 20 0 GIADRO COc1ccc2sc(-c3nc([C@H]4C[N@@H+]5CCC[C@]5(C)CO4)no3)c(C)c2c1 ZINC000575907091 824025918 /nfs/dbraw/zinc/02/59/18/824025918.db2.gz XIVDITMOJJZDFE-FOIQADDNSA-N 1 0 385.489 4.194 20 0 GIADRO CC(C)c1ccc([C@H](C[NH2+][C@@H]2CCOC[C@H]2C)NC(=O)OC(C)(C)C)cc1 ZINC000192543187 824026264 /nfs/dbraw/zinc/02/62/64/824026264.db2.gz HCRGKEWHRDAWMI-AHRSYUTCSA-N 1 0 376.541 4.390 20 0 GIADRO CCNC(=O)COc1ccc(C[N@@H+]2C[C@@H](C)CC[C@@H]2c2ccccc2)cc1OC ZINC000575907462 824026548 /nfs/dbraw/zinc/02/65/48/824026548.db2.gz HNKDRVAZTJDOMH-GHTZIAJQSA-N 1 0 396.531 4.183 20 0 GIADRO Cc1cc(Br)ccc1NC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000414721295 824026568 /nfs/dbraw/zinc/02/65/68/824026568.db2.gz GEXVRAIMWUYNOZ-RHSMWYFYSA-N 1 0 380.330 4.144 20 0 GIADRO C[NH+](C)C[C@@H]1CCN(C(=O)Nc2ccccc2Oc2cc(F)cc(F)c2)C1 ZINC000127151033 824027279 /nfs/dbraw/zinc/02/72/79/824027279.db2.gz YPTMXEWOKJRMHY-AWEZNQCLSA-N 1 0 375.419 4.173 20 0 GIADRO CN(C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1)[C@H](C[NH3+])C1CC1 ZINC000414723425 824027510 /nfs/dbraw/zinc/02/75/10/824027510.db2.gz CAFVPSWUVAXZJK-GOSISDBHSA-N 1 0 380.517 4.088 20 0 GIADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)C1 ZINC000414724355 824027838 /nfs/dbraw/zinc/02/78/38/824027838.db2.gz FAFQMQYAUSPBEL-RDJZCZTQSA-N 1 0 394.544 4.478 20 0 GIADRO CCOc1ccc(Oc2ccc(NC(=O)N3CCC[C@H](CC[NH3+])C3)cc2)cc1 ZINC000414724641 824027856 /nfs/dbraw/zinc/02/78/56/824027856.db2.gz KLDAFBOTIBLIDT-QGZVFWFLSA-N 1 0 383.492 4.470 20 0 GIADRO CO[C@H]1CCN(C(=O)Nc2ccc(Sc3cc(C)ccc3C)cc2)[C@H](C[NH3+])C1 ZINC000414724185 824027905 /nfs/dbraw/zinc/02/79/05/824027905.db2.gz JJIICBMQGFSCDS-OALUTQOASA-N 1 0 399.560 4.425 20 0 GIADRO Cc1ccc(NC(=O)c2cccc(C[NH+]3CCCC3)c2)cc1C(=O)N(C)C(C)C ZINC000192548009 824028408 /nfs/dbraw/zinc/02/84/08/824028408.db2.gz QOSRHFBFYBDGKE-UHFFFAOYSA-N 1 0 393.531 4.324 20 0 GIADRO CCN(CC)C(=O)c1ccc(NC(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)cc1 ZINC000414725318 824028324 /nfs/dbraw/zinc/02/83/24/824028324.db2.gz VUFVKMTWDJBDGG-OAQYLSRUSA-N 1 0 396.535 4.114 20 0 GIADRO CN(C)c1ccc(C(F)(F)F)cc1NC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000414731773 824029626 /nfs/dbraw/zinc/02/96/26/824029626.db2.gz HXRRONZTMAWEQU-RHSMWYFYSA-N 1 0 398.473 4.157 20 0 GIADRO Cc1ccc(Cc2cnc(NC(=O)N3CCC[C@H]([C@@H](C)[NH3+])C3)s2)cc1Cl ZINC000414733149 824030080 /nfs/dbraw/zinc/03/00/80/824030080.db2.gz JRLNTAMAEUDWMX-HIFRSBDPSA-N 1 0 392.956 4.287 20 0 GIADRO O=C(c1ccc(F)cc1)N1CCCN(Cc2cnc(-c3ccccc3)s2)CC1 ZINC000192554804 824030137 /nfs/dbraw/zinc/03/01/37/824030137.db2.gz IVWSQARSTDRVNC-UHFFFAOYSA-N 1 0 395.503 4.297 20 0 GIADRO CC(C)C[C@@H]([NH3+])CN1CCC[C@H]1c1nc(-c2ccccc2Br)no1 ZINC000414734383 824030366 /nfs/dbraw/zinc/03/03/66/824030366.db2.gz DRIMIWCIKZCYTM-CJNGLKHVSA-N 1 0 393.329 4.009 20 0 GIADRO CC(C)C[C@H]([NH3+])CN1CCC[C@H]1c1nc(-c2ccccc2Br)no1 ZINC000414734381 824030455 /nfs/dbraw/zinc/03/04/55/824030455.db2.gz DRIMIWCIKZCYTM-BBRMVZONSA-N 1 0 393.329 4.009 20 0 GIADRO O=C(CC[NH2+]C1CC1)Nc1cccc(NC(=O)Nc2cccc3c2CCCC3)c1 ZINC000575934261 824031979 /nfs/dbraw/zinc/03/19/79/824031979.db2.gz HTEJDTSLUSGVQR-UHFFFAOYSA-N 1 0 392.503 4.290 20 0 GIADRO CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000171006539 824034461 /nfs/dbraw/zinc/03/44/61/824034461.db2.gz ITFFFPNPTWVKGY-NRFANRHFSA-N 1 0 397.567 4.023 20 0 GIADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000414777209 824034839 /nfs/dbraw/zinc/03/48/39/824034839.db2.gz ODYYWAZQZWXFIR-IBGZPJMESA-N 1 0 383.496 4.168 20 0 GIADRO COc1ccccc1Oc1ccc(NC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000414773429 824034921 /nfs/dbraw/zinc/03/49/21/824034921.db2.gz AGIKYZVXTBLQIL-KFKAGJAMSA-N 1 0 381.476 4.079 20 0 GIADRO O=C(Nc1ccccc1N1CCCCCC1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000414777407 824034933 /nfs/dbraw/zinc/03/49/33/824034933.db2.gz FGBVENFIMJHJKG-CTNGQTDRSA-N 1 0 384.568 4.453 20 0 GIADRO CSc1ccc([C@H](CNC(=O)[C@@H]2[C@@H](c3ccccc3)C2(F)F)[NH+](C)C)cc1 ZINC000575950218 824035378 /nfs/dbraw/zinc/03/53/78/824035378.db2.gz UBIVAPUDTGSFDK-OTWHNJEPSA-N 1 0 390.499 4.176 20 0 GIADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)Nc2ccc(OC(F)F)c(Cc3ccccc3)c2)C1 ZINC000414789007 824036631 /nfs/dbraw/zinc/03/66/31/824036631.db2.gz OEETYXMLBRSYLN-ZBFHGGJFSA-N 1 0 389.446 4.080 20 0 GIADRO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@H](CC2CCCCC2)c2ccccc2)cc1 ZINC000414788430 824036665 /nfs/dbraw/zinc/03/66/65/824036665.db2.gz MMXXDUCLMRILJA-HTAPYJJXSA-N 1 0 393.531 4.473 20 0 GIADRO C[C@H](CCC[NH3+])NC(=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1 ZINC000414791682 824036824 /nfs/dbraw/zinc/03/68/24/824036824.db2.gz QSNYOGQYXISMCA-CQSZACIVSA-N 1 0 377.435 4.128 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1ccc(N2CCC(C)CC2)nc1 ZINC000171013763 824037467 /nfs/dbraw/zinc/03/74/67/824037467.db2.gz OXDOYRLNDWIWNI-UHFFFAOYSA-N 1 0 394.563 4.042 20 0 GIADRO CN(Cc1ccccc1-c1ccccc1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000171016042 824038210 /nfs/dbraw/zinc/03/82/10/824038210.db2.gz OTQRBIHVSCKGHV-UHFFFAOYSA-N 1 0 377.532 4.369 20 0 GIADRO CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H](C)c2ccc(SC(C)C)cc2)c1 ZINC000414811684 824038176 /nfs/dbraw/zinc/03/81/76/824038176.db2.gz ZRCOJIOPUHQUSY-MRXNPFEDSA-N 1 0 399.560 4.113 20 0 GIADRO CC(C)Sc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000414810483 824038243 /nfs/dbraw/zinc/03/82/43/824038243.db2.gz XBVGYFMXIFQLHJ-CABCVRRESA-N 1 0 385.533 4.023 20 0 GIADRO COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]C[C@H](N)c2ccccc2)c1 ZINC000414824205 824039430 /nfs/dbraw/zinc/03/94/30/824039430.db2.gz ALPMGRYJQZHMMA-NRFANRHFSA-N 1 0 378.520 4.103 20 0 GIADRO CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000414834790 824040311 /nfs/dbraw/zinc/04/03/11/824040311.db2.gz QVYDMXFRXLLQBI-IFXJQAMLSA-N 1 0 387.911 4.154 20 0 GIADRO CCc1ccccc1[C@H]([NH3+])CNC(=O)Nc1ccc(N(C)C)cc1C(F)(F)F ZINC000414843764 824041174 /nfs/dbraw/zinc/04/11/74/824041174.db2.gz CTNJCQIPDBNHIV-QGZVFWFLSA-N 1 0 394.441 4.155 20 0 GIADRO CCCCN(C(=O)C(=O)Nc1ccccc1C[NH2+]C)[C@@H](CC)c1ccccc1 ZINC000414848759 824041597 /nfs/dbraw/zinc/04/15/97/824041597.db2.gz LCOPXZSUJYGFQP-NRFANRHFSA-N 1 0 381.520 4.125 20 0 GIADRO CCCCN(C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2)[C@@H](CC)c1ccccc1 ZINC000414852966 824042166 /nfs/dbraw/zinc/04/21/66/824042166.db2.gz RASURHUXBRHPFB-QFIPXVFZSA-N 1 0 393.531 4.051 20 0 GIADRO Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000414866301 824043460 /nfs/dbraw/zinc/04/34/60/824043460.db2.gz AJYYQDIPQAMNHQ-HXUWFJFHSA-N 1 0 394.519 4.147 20 0 GIADRO Cc1cccc2nc(C[N@@H+]3CCC[C@@H](c4nc(-c5ccc(F)cc5)no4)C3)cn21 ZINC000171038388 824044128 /nfs/dbraw/zinc/04/41/28/824044128.db2.gz KYMFYRQAANUEPA-QGZVFWFLSA-N 1 0 391.450 4.211 20 0 GIADRO COc1ccc([C@H]2CC[NH2+]C[C@@H]2NCc2csc(-c3ccc(F)cc3)n2)cc1 ZINC000414881249 824044653 /nfs/dbraw/zinc/04/46/53/824044653.db2.gz KSVWDJNIEMMESP-RTWAWAEBSA-N 1 0 397.519 4.193 20 0 GIADRO C[C@H](CC(=O)N1CCc2ccccc2[C@@H]1Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000575986248 824044785 /nfs/dbraw/zinc/04/47/85/824044785.db2.gz YHUZDJWNQAGYRL-UCFCWBNQSA-N 1 0 376.544 4.381 20 0 GIADRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000414883919 824045033 /nfs/dbraw/zinc/04/50/33/824045033.db2.gz FATISWMTEFFKOV-OPAMFIHVSA-N 1 0 395.507 4.088 20 0 GIADRO CCc1cccc(Oc2ccc(NC(=O)N3CCC(CC[NH2+]C)CC3)cn2)c1 ZINC000414886133 824045391 /nfs/dbraw/zinc/04/53/91/824045391.db2.gz PPHBTXCVNCSESK-UHFFFAOYSA-N 1 0 382.508 4.290 20 0 GIADRO COc1ccc([C@H]2CC[NH2+]C[C@@H]2NCc2ccc(-c3ccncc3)cc2F)cc1 ZINC000414888322 824045818 /nfs/dbraw/zinc/04/58/18/824045818.db2.gz REYPVZSOIMYMEM-VWNXMTODSA-N 1 0 391.490 4.132 20 0 GIADRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000414893016 824046726 /nfs/dbraw/zinc/04/67/26/824046726.db2.gz QSIFVIPDFBPIHL-DOTOQJQBSA-N 1 0 395.507 4.088 20 0 GIADRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000414895090 824047062 /nfs/dbraw/zinc/04/70/62/824047062.db2.gz VWZDZBRXULGSFL-IAGOWNOFSA-N 1 0 395.507 4.230 20 0 GIADRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000414895825 824047069 /nfs/dbraw/zinc/04/70/69/824047069.db2.gz ZXCYWDMBCKIFMS-GOSISDBHSA-N 1 0 383.496 4.134 20 0 GIADRO C[C@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccnn1C ZINC000192622123 824047697 /nfs/dbraw/zinc/04/76/97/824047697.db2.gz AFWGJBXIQBIBPV-INIZCTEOSA-N 1 0 375.451 4.263 20 0 GIADRO [NH3+]CC12CCC(CC1)CN2Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000576002767 824047788 /nfs/dbraw/zinc/04/77/88/824047788.db2.gz CVWUJJBTYGQGNH-UHFFFAOYSA-N 1 0 377.941 4.079 20 0 GIADRO FC(F)(F)CN1CCC([NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000171052397 824048197 /nfs/dbraw/zinc/04/81/97/824048197.db2.gz UKKNTJNMIUTQMU-UHFFFAOYSA-N 1 0 395.252 4.386 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)N1CC[C@@](F)(c2ccccc2)C1 ZINC000576005554 824048380 /nfs/dbraw/zinc/04/83/80/824048380.db2.gz YMYOGDLNFSWYJE-UGKGYDQZSA-N 1 0 385.483 4.087 20 0 GIADRO c1ccc(COc2ccc(C[N@@H+]3CCC[C@H](c4nnc5n4CCC5)C3)cc2)cc1 ZINC000171053107 824048662 /nfs/dbraw/zinc/04/86/62/824048662.db2.gz ZAPDPLQDRGXYNA-NRFANRHFSA-N 1 0 388.515 4.183 20 0 GIADRO Nc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000414911824 824049006 /nfs/dbraw/zinc/04/90/06/824049006.db2.gz HECXCMBPXRFNJZ-FQEVSTJZSA-N 1 0 397.320 4.384 20 0 GIADRO C[C@@H](O)c1ccc(CNC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000171056105 824049573 /nfs/dbraw/zinc/04/95/73/824049573.db2.gz UYPYZDQUXDFAHH-LJQANCHMSA-N 1 0 395.547 4.115 20 0 GIADRO CC(C)(C)C[C@H](NC(=O)C(=O)Nc1ccc(C[NH3+])cc1)c1ccc(Cl)cc1 ZINC000414923723 824050407 /nfs/dbraw/zinc/05/04/07/824050407.db2.gz FQUUKMFZRNKERC-SFHVURJKSA-N 1 0 387.911 4.031 20 0 GIADRO C[C@@H]([NH3+])c1ccc(NC(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2)cc1 ZINC000414946118 824052675 /nfs/dbraw/zinc/05/26/75/824052675.db2.gz SPXSPSAPWYKOHR-HZPDHXFCSA-N 1 0 380.492 4.365 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@H]3CCCS3)n2Cc2ccccc2)C1 ZINC000576027406 824052793 /nfs/dbraw/zinc/05/27/93/824052793.db2.gz FPZKUYBIBPFFJD-WOJBJXKFSA-N 1 0 399.608 4.063 20 0 GIADRO C[C@H]([NH3+])c1ccc(CNC(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)cc1 ZINC000414944462 824052940 /nfs/dbraw/zinc/05/29/40/824052940.db2.gz PVCLHYRNYGAMII-KRWDZBQOSA-N 1 0 394.519 4.044 20 0 GIADRO C[C@@H](c1ccccc1F)[NH+]1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)CC1 ZINC000171065743 824053698 /nfs/dbraw/zinc/05/36/98/824053698.db2.gz QKKHWUYROBJHHO-GJZGRUSLSA-N 1 0 396.462 4.201 20 0 GIADRO O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)[C@H]1CCCc2cccnc21 ZINC000192640542 824053866 /nfs/dbraw/zinc/05/38/66/824053866.db2.gz AHXQUIZKWMVPBA-NRFANRHFSA-N 1 0 379.504 4.005 20 0 GIADRO CO[C@@H]1CCN(C(=O)Nc2ccc(Oc3cc(C)cc(C)c3)cc2)[C@@H](C[NH3+])C1 ZINC000414971906 824056070 /nfs/dbraw/zinc/05/60/70/824056070.db2.gz IZARSQRLZGQMGF-UYAOXDASSA-N 1 0 383.492 4.066 20 0 GIADRO O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccc(-c3ccncc3)cc2)CC1 ZINC000040937550 205075582 /nfs/dbraw/zinc/07/55/82/205075582.db2.gz ZVSOQMNOCJWZQN-UHFFFAOYSA-N 1 0 391.902 4.360 20 0 GIADRO [NH3+]C1CC2(C1)CCN(C(F)(F)c1cc(Cl)nc(-c3ccccc3)n1)CC2 ZINC001164386839 718801741 /nfs/dbraw/zinc/80/17/41/718801741.db2.gz FMTNECDYFGDOLV-UHFFFAOYSA-N 1 0 378.854 4.050 20 0 GIADRO FC(F)(c1cnc(Cl)c(C2CCCCC2)c1)N1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001164408901 718865942 /nfs/dbraw/zinc/86/59/42/718865942.db2.gz NXPGNDAMIJPAMI-CRAIPNDOSA-N 1 0 399.913 4.142 20 0 GIADRO Fc1c(Cl)nccc1C(F)(F)N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001164414661 718879941 /nfs/dbraw/zinc/87/99/41/718879941.db2.gz VYNJUYMSEGRFKJ-SNVBAGLBSA-N 1 0 387.755 4.072 20 0 GIADRO CSc1ccc(C(F)(F)N2C[C@H]3[NH2+]Cc4ccccc4[C@H]3C2)nc1Cl ZINC001164425896 718943403 /nfs/dbraw/zinc/94/34/03/718943403.db2.gz XYFLIWWHEQHVMM-ZIAGYGMSSA-N 1 0 381.879 4.077 20 0 GIADRO FC(F)(c1ccnc(Cl)c1)N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164621310 719054311 /nfs/dbraw/zinc/05/43/11/719054311.db2.gz INZXGUUSESEJFD-WMZOPIPTSA-N 1 0 377.866 4.381 20 0 GIADRO Cc1cc(Cl)nc(C(F)(F)N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164621973 719056288 /nfs/dbraw/zinc/05/62/88/719056288.db2.gz KJTFXWJFOUTCIU-IAGOWNOFSA-N 1 0 392.881 4.084 20 0 GIADRO Clc1cccc2c1ncnc2N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164629774 719065170 /nfs/dbraw/zinc/06/51/70/719065170.db2.gz YYYQOWDOQMXAGO-PXNSSMCTSA-N 1 0 378.907 4.384 20 0 GIADRO Cc1cc(C(F)(F)N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc(Cl)n1 ZINC001164629918 719071234 /nfs/dbraw/zinc/07/12/34/719071234.db2.gz ZYGVZAHCVKWQOX-IRXDYDNUSA-N 1 0 392.881 4.084 20 0 GIADRO Clc1cccc2nc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)ncc12 ZINC001164628521 719082606 /nfs/dbraw/zinc/08/26/06/719082606.db2.gz SFAUJNAWCALXER-DYESRHJHSA-N 1 0 378.907 4.384 20 0 GIADRO Clc1ccc2cnc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)nc2c1 ZINC001164623626 719083608 /nfs/dbraw/zinc/08/36/08/719083608.db2.gz JZQVZYPYZBRDTA-WIYYLYMNSA-N 1 0 378.907 4.384 20 0 GIADRO c1ccc(C[N@@H+]2C[C@H]3[C@H](C2)CCCN3c2ccc(COC3CCC3)cn2)cc1 ZINC001164628983 719108479 /nfs/dbraw/zinc/10/84/79/719108479.db2.gz PJTRRPFZPFQKMK-GMAHTHKFSA-N 1 0 377.532 4.252 20 0 GIADRO [NH3+]C1([C@@H]2CN(C(F)(F)c3ccc(-c4ccnc(Cl)c4)cc3)C[C@H]2CF)CC1 ZINC001164624279 719117391 /nfs/dbraw/zinc/11/73/91/719117391.db2.gz FCRFFUJRWGUIEI-NVXWUHKLSA-N 1 0 395.856 4.460 20 0 GIADRO C[C@@H]1CN(c2nc(-c3cccnc3)nc3sc4c(c32)CCCC4)[C@@H](C)C[N@@H+]1C ZINC001164632260 719233232 /nfs/dbraw/zinc/23/32/32/719233232.db2.gz ARTYKPRPSJRHBV-CABCVRRESA-N 1 0 393.560 4.161 20 0 GIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2cnc4ccccc4n2)CC3)cs1 ZINC001164693844 719804617 /nfs/dbraw/zinc/80/46/17/719804617.db2.gz VIPXGVYADDQDOY-UHFFFAOYSA-N 1 0 379.533 4.030 20 0 GIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(C)c(C)nc2Cl)CC3)cs1 ZINC001164692463 719808926 /nfs/dbraw/zinc/80/89/26/719808926.db2.gz HSJDTIMFXHCKSN-UHFFFAOYSA-N 1 0 391.972 4.147 20 0 GIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc4cnccc4cc2C)CC3)cs1 ZINC001164691219 719815843 /nfs/dbraw/zinc/81/58/43/719815843.db2.gz BCKFBWFMKAPNAW-UHFFFAOYSA-N 1 0 393.560 4.338 20 0 GIADRO c1csc(C[N@@H+]2CCOC3(CCN(c4nccc5ccccc54)CC3)C2)c1 ZINC001164695737 719887841 /nfs/dbraw/zinc/88/78/41/719887841.db2.gz UIBJYYCPOVMNII-UHFFFAOYSA-N 1 0 379.529 4.168 20 0 GIADRO Clc1ccnc(Cl)c1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164695327 719891046 /nfs/dbraw/zinc/89/10/46/719891046.db2.gz NZVFERSUVNNVKI-UHFFFAOYSA-N 1 0 398.359 4.321 20 0 GIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc3cc(Cl)ccc3n1)C2 ZINC001164808604 720081045 /nfs/dbraw/zinc/08/10/45/720081045.db2.gz IIFFKEJIWFEENH-AVRDEDQJSA-N 1 0 385.939 4.073 20 0 GIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nccc3cc(Cl)ccc31)C2 ZINC001164807879 720098035 /nfs/dbraw/zinc/09/80/35/720098035.db2.gz GIALZRRLUQTZMS-AVRDEDQJSA-N 1 0 385.939 4.073 20 0 GIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(Cl)nc3cc(C)ccc31)C2 ZINC001164810641 720129266 /nfs/dbraw/zinc/12/92/66/720129266.db2.gz KMWIVBWFJBHSDR-JPYJTQIMSA-N 1 0 399.966 4.381 20 0 GIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(Cl)nc3cc(C)ccc31)C2 ZINC001164810644 720129552 /nfs/dbraw/zinc/12/95/52/720129552.db2.gz KMWIVBWFJBHSDR-MBSDFSHPSA-N 1 0 399.966 4.381 20 0 GIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)cc3ccc(C)cc31)C2 ZINC001164814381 720143441 /nfs/dbraw/zinc/14/34/41/720143441.db2.gz SDLUXIDKCOFLJA-AUSIDOKSSA-N 1 0 399.966 4.381 20 0 GIADRO Cc1ccc2c(c1)nc(Cl)cc2N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164726507 720397498 /nfs/dbraw/zinc/39/74/98/720397498.db2.gz OZWPVTBWJATUQZ-PMACEKPBSA-N 1 0 378.907 4.445 20 0 GIADRO Cc1ccc(F)c2cc(C)c(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)nc12 ZINC001164726513 720405429 /nfs/dbraw/zinc/40/54/29/720405429.db2.gz PAONMNVFOHQTCT-RTWAWAEBSA-N 1 0 376.479 4.239 20 0 GIADRO Cc1ccc(C)c(-c2ccc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)nn2)c1 ZINC001164729351 720449673 /nfs/dbraw/zinc/44/96/73/720449673.db2.gz HDJQKCHRYOJEAU-XZOQPEGZSA-N 1 0 385.515 4.009 20 0 GIADRO Cc1ccc(C)c(-c2ccc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)nn2)c1 ZINC001164729341 720450042 /nfs/dbraw/zinc/45/00/42/720450042.db2.gz HDJQKCHRYOJEAU-DHIUTWEWSA-N 1 0 385.515 4.009 20 0 GIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H](O)[C@H]2Cc2ccccc2)nc1 ZINC001164832563 720494072 /nfs/dbraw/zinc/49/40/72/720494072.db2.gz JRUQWUXLEJBVLV-DNVJHFABSA-N 1 0 379.548 4.201 20 0 GIADRO Cc1ccc2ccnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)c2c1 ZINC001164838051 720541884 /nfs/dbraw/zinc/54/18/84/720541884.db2.gz NRBRDHILBLFUDO-MQSCRBSSSA-N 1 0 389.547 4.118 20 0 GIADRO Cc1cc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)ncc1Cl ZINC001164838220 720676458 /nfs/dbraw/zinc/67/64/58/720676458.db2.gz GJSOLDRKUDAFSL-IBGZPJMESA-N 1 0 385.939 4.303 20 0 GIADRO Cc1c[nH]c2nc(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)ccc12 ZINC001164842738 720678801 /nfs/dbraw/zinc/67/88/01/720678801.db2.gz NAERKDXNTDWDRG-FQEVSTJZSA-N 1 0 390.531 4.131 20 0 GIADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cccc(C3CC3)n1)CC2 ZINC001164839568 720726077 /nfs/dbraw/zinc/72/60/77/720726077.db2.gz MAKRYSGRRVANMH-NRFANRHFSA-N 1 0 377.532 4.219 20 0 GIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3OCCC[C@]3(COC)C2)nc1 ZINC001164847020 720829198 /nfs/dbraw/zinc/82/91/98/720829198.db2.gz HOYBMFAQRMOVDQ-MQSCRBSSSA-N 1 0 387.568 4.041 20 0 GIADRO Cc1nc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)c(Cl)cc1Cl ZINC001164856271 720994147 /nfs/dbraw/zinc/99/41/47/720994147.db2.gz AMEKOLDWBOYPGC-ZDUSSCGKSA-N 1 0 382.339 4.315 20 0 GIADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(C)(C)c1ccnc(Cl)c1)[C@H]2C ZINC001164861020 721021495 /nfs/dbraw/zinc/02/14/95/721021495.db2.gz MUTKLWYEDHUBHS-HNNXBMFYSA-N 1 0 375.948 4.084 20 0 GIADRO COCc1ccnc(N2CCC3(CC2)CC[NH+](Cc2ccc(C)cc2)CC3)c1 ZINC001164759898 721043081 /nfs/dbraw/zinc/04/30/81/721043081.db2.gz RNIOXIYVYZFLNW-UHFFFAOYSA-N 1 0 379.548 4.419 20 0 GIADRO CC(=O)Nc1cccc(N2CCC3(CC2)CC[NH+](Cc2ccc(C)cc2)CC3)n1 ZINC001164759212 721043751 /nfs/dbraw/zinc/04/37/51/721043751.db2.gz LKQUAXHPRCIYAJ-UHFFFAOYSA-N 1 0 392.547 4.231 20 0 GIADRO Cc1ccc2nc(Cl)cc(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)c2c1 ZINC001164783934 721403291 /nfs/dbraw/zinc/40/32/91/721403291.db2.gz IYEKBPLJMJWNJI-GASCZTMLSA-N 1 0 384.936 4.221 20 0 GIADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncnc3cc(F)ccc31)CC2 ZINC001164791154 721491303 /nfs/dbraw/zinc/49/13/03/721491303.db2.gz BPYRJPYLZGMNRS-UHFFFAOYSA-N 1 0 391.494 4.045 20 0 GIADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(C(C)(C)C)ncn1)CC2 ZINC001164796816 721499810 /nfs/dbraw/zinc/49/98/10/721499810.db2.gz ZBVUWRCDKXUYDZ-UHFFFAOYSA-N 1 0 379.552 4.050 20 0 GIADRO Cc1ccc(Cl)nc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906180 721583743 /nfs/dbraw/zinc/58/37/43/721583743.db2.gz ZLBWKYMMBZMZHA-LJQANCHMSA-N 1 0 392.881 4.176 20 0 GIADRO Cc1cccc2ncnc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c12 ZINC001165027652 721813953 /nfs/dbraw/zinc/81/39/53/721813953.db2.gz VKWKYRLWMQPCGY-DWLFOUALSA-N 1 0 387.531 4.070 20 0 GIADRO c1cc(N2CCCCC2)ccc1-c1ccc(N2CC[NH+](C3CCCC3)CC2)nn1 ZINC001165032592 721861546 /nfs/dbraw/zinc/86/15/46/721861546.db2.gz SAAMRDQFZPVGDS-UHFFFAOYSA-N 1 0 391.563 4.199 20 0 GIADRO C[NH+](C)[C@@H]1CCCN(C(F)(F)c2ccc3nc(Cl)c(Cl)nc3c2)C1 ZINC001165037287 721892137 /nfs/dbraw/zinc/89/21/37/721892137.db2.gz AIPWMNHYFPLWPT-LLVKDONJSA-N 1 0 375.250 4.012 20 0 GIADRO CN(CC1CC[NH+](C)CC1)c1cnc(Cl)nc1Oc1ccccc1Cl ZINC001165043700 721938811 /nfs/dbraw/zinc/93/88/11/721938811.db2.gz BXHRTVKTGRTUMK-UHFFFAOYSA-N 1 0 381.307 4.354 20 0 GIADRO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@@H+](C(C)(C)c3ccnc(Cl)c3)C[C@@H]12 ZINC001164945472 721968349 /nfs/dbraw/zinc/96/83/49/721968349.db2.gz LAPIUMLGOQKTIF-OFNKIYASSA-N 1 0 397.950 4.235 20 0 GIADRO O=C(Nc1ccccc1)c1ccnc(N2CCCC[C@@H]2CC[NH+]2CCCC2)c1 ZINC001165047549 721971218 /nfs/dbraw/zinc/97/12/18/721971218.db2.gz KLQSOOJYUGOBTD-OAQYLSRUSA-N 1 0 378.520 4.179 20 0 GIADRO CC[NH+](CC)C1CCN(C(F)(F)c2cc(Cl)nc(-c3cccnc3)n2)CC1 ZINC001165053295 722005431 /nfs/dbraw/zinc/00/54/31/722005431.db2.gz LJACZJABMSPXKQ-UHFFFAOYSA-N 1 0 395.885 4.048 20 0 GIADRO Clc1cc(-c2ccccc2)cc(N2CC[NH+](CCc3ccccn3)CC2)n1 ZINC001165055765 722012739 /nfs/dbraw/zinc/01/27/39/722012739.db2.gz KWZIFBWBGGFLOM-UHFFFAOYSA-N 1 0 378.907 4.162 20 0 GIADRO Clc1nnc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c2sccc21 ZINC001164952158 722014335 /nfs/dbraw/zinc/01/43/35/722014335.db2.gz ICIDZBVZBACUNE-UHFFFAOYSA-N 1 0 399.951 4.232 20 0 GIADRO CCc1cc2c(ncnc2N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)s1 ZINC001164953735 722016978 /nfs/dbraw/zinc/01/69/78/722016978.db2.gz XTCSWOPAOBPGDR-UHFFFAOYSA-N 1 0 393.560 4.141 20 0 GIADRO c1cncc(C[N@@H+]2CCC3(C2)CCN(c2ccc(-c4ccncc4)cn2)CC3)c1 ZINC001164955468 722021163 /nfs/dbraw/zinc/02/11/63/722021163.db2.gz HYGFRTKKLJRTFC-UHFFFAOYSA-N 1 0 385.515 4.031 20 0 GIADRO Cc1ccc(N2C[C@]3(CC[N@@H+](C(C)(C)c4ccnc(Cl)c4)C3)CC2=O)s1 ZINC001164964961 722044645 /nfs/dbraw/zinc/04/46/45/722044645.db2.gz WKOSXJUPXJYPOL-HXUWFJFHSA-N 1 0 389.952 4.469 20 0 GIADRO C[N@H+](Cc1ccc(N2CCC[C@]3(C[C@@H](OCC4CCCC4)CO3)C2)nc1)C1CC1 ZINC001164976090 722165768 /nfs/dbraw/zinc/16/57/68/722165768.db2.gz JOIRGHCJOLLRRT-VWNXMTODSA-N 1 0 399.579 4.011 20 0 GIADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2cnc(-c4ccco4)cn2)C3)c1 ZINC001164993666 722197831 /nfs/dbraw/zinc/19/78/31/722197831.db2.gz GZVKVBLVTQKKSE-QFIPXVFZSA-N 1 0 378.451 4.121 20 0 GIADRO COc1cc(Cl)nc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164993643 722198422 /nfs/dbraw/zinc/19/84/22/722198422.db2.gz GJUCFXMKERIPGE-FQEVSTJZSA-N 1 0 375.875 4.128 20 0 GIADRO COc1cccc2cnc(N3CCC[C@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)nc21 ZINC001164997218 722201398 /nfs/dbraw/zinc/20/13/98/722201398.db2.gz XEWJSOYPSJRJAZ-QHCPKHFHSA-N 1 0 392.478 4.022 20 0 GIADRO Cc1cc2ncnc(N3CCC[C@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)c2s1 ZINC001164995695 722205995 /nfs/dbraw/zinc/20/59/95/722205995.db2.gz PLDVQOIJJHJMET-NRFANRHFSA-N 1 0 382.508 4.384 20 0 GIADRO CC[C@H](NC(=O)NC(C)(C)CCC[NH+](C)C)c1nc(C(F)(F)F)cs1 ZINC000458474713 823044953 /nfs/dbraw/zinc/04/49/53/823044953.db2.gz INFFQYJJEIJUPX-NSHDSACASA-N 1 0 380.480 4.033 20 0 GIADRO Cc1ccccc1[C@H](CC(C)C)[NH2+][C@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000570490350 823045628 /nfs/dbraw/zinc/04/56/28/823045628.db2.gz SASZNFQRUBGUDZ-VXKWHMMOSA-N 1 0 386.561 4.397 20 0 GIADRO CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000175810854 823045739 /nfs/dbraw/zinc/04/57/39/823045739.db2.gz PVVHJNXHPLXMSC-AWEZNQCLSA-N 1 0 381.948 4.031 20 0 GIADRO COc1ccccc1CSc1ccccc1NC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000570498512 823046592 /nfs/dbraw/zinc/04/65/92/823046592.db2.gz KCZKMKVPBIYSLW-NVXWUHKLSA-N 1 0 385.533 4.107 20 0 GIADRO CCc1ccc([C@@H](CNC(=O)N2CCC(OC(C)C)CC2)[NH+](CC)CC)cc1 ZINC000570505917 823047628 /nfs/dbraw/zinc/04/76/28/823047628.db2.gz FLAZIUIZNNMBCQ-JOCHJYFZSA-N 1 0 389.584 4.231 20 0 GIADRO CCc1ccc([C@H](CNC(=O)N2CCC(OC(C)C)CC2)[NH+](CC)CC)cc1 ZINC000570505918 823047775 /nfs/dbraw/zinc/04/77/75/823047775.db2.gz FLAZIUIZNNMBCQ-QFIPXVFZSA-N 1 0 389.584 4.231 20 0 GIADRO C[NH+]1CCC(Nc2ccccc2NC(=O)CO[C@H]2CCCc3ccccc32)CC1 ZINC000570508152 823047968 /nfs/dbraw/zinc/04/79/68/823047968.db2.gz PSXSDQPADSZAMT-QHCPKHFHSA-N 1 0 393.531 4.225 20 0 GIADRO C[C@H](CCCc1cccnc1)NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000458501727 823048297 /nfs/dbraw/zinc/04/82/97/823048297.db2.gz LBXKJSKZYVRZNY-TXTKFYIRSA-N 1 0 394.563 4.003 20 0 GIADRO O=C(Nc1ccnn1Cc1ccc(Cl)cc1Cl)c1ccc2c[nH+]cn2c1 ZINC000570522646 823049292 /nfs/dbraw/zinc/04/92/92/823049292.db2.gz CGXPIYGWVOMUDI-UHFFFAOYSA-N 1 0 386.242 4.138 20 0 GIADRO COc1cc(-c2nc(C[N@H+](C)CC3(O)CCCCCC3)cs2)ccc1O ZINC000187361869 823049587 /nfs/dbraw/zinc/04/95/87/823049587.db2.gz JQQGFRNGXCFPAE-UHFFFAOYSA-N 1 0 376.522 4.041 20 0 GIADRO Cc1cc(Br)cc([C@H](C)[NH2+]Cc2ccc([S@](C)=O)cc2)c1O ZINC000187362222 823049834 /nfs/dbraw/zinc/04/98/34/823049834.db2.gz VVADJOQKDOHIDO-YTEVENLXSA-N 1 0 382.323 4.051 20 0 GIADRO Cc1nc(C(F)(F)F)ccc1NC(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000570530271 823050452 /nfs/dbraw/zinc/05/04/52/823050452.db2.gz CKJDJYJECQTEMR-CQSZACIVSA-N 1 0 394.441 4.441 20 0 GIADRO Cc1csc([C@@H](NC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)C2CC2)n1 ZINC000175840487 823052536 /nfs/dbraw/zinc/05/25/36/823052536.db2.gz IYUUVVQRBXBPAF-HKUYNNGSSA-N 1 0 390.597 4.056 20 0 GIADRO CCn1ccnc1[C@H](C)NC(=O)NC[C@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000458538594 823052671 /nfs/dbraw/zinc/05/26/71/823052671.db2.gz AJDZATYRWAPBNI-BJLQDIEVSA-N 1 0 385.556 4.029 20 0 GIADRO Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000120722874 823052717 /nfs/dbraw/zinc/05/27/17/823052717.db2.gz XWBMTBDZWITUKG-LBPRGKRZSA-N 1 0 396.318 4.419 20 0 GIADRO CCn1ccnc1[C@H](C)NC(=O)NC[C@@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000458538595 823052706 /nfs/dbraw/zinc/05/27/06/823052706.db2.gz AJDZATYRWAPBNI-CMKODMSKSA-N 1 0 385.556 4.029 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)NC[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000458538858 823052792 /nfs/dbraw/zinc/05/27/92/823052792.db2.gz UZDGUKCWJRBUCC-GDBMZVCRSA-N 1 0 391.503 4.190 20 0 GIADRO CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CC[C@H](OCC)[C@H](C)C2)c1 ZINC000458545351 823053630 /nfs/dbraw/zinc/05/36/30/823053630.db2.gz PMKKLEWNYHEQHW-KNQAVFIVSA-N 1 0 389.584 4.265 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](c1ccccc1)C(C)(C)CO)c1ncc(Br)cc1F ZINC000187385790 823053861 /nfs/dbraw/zinc/05/38/61/823053861.db2.gz NCVJHLYPJFNHMD-CJNGLKHVSA-N 1 0 395.316 4.436 20 0 GIADRO C[C@@H]([NH2+]CC1([C@@H](O)c2ccccc2)CC1)c1ncc(Br)cc1F ZINC000187393415 823055073 /nfs/dbraw/zinc/05/50/73/823055073.db2.gz HHNPUJFMFKAYBF-PXAZEXFGSA-N 1 0 379.273 4.148 20 0 GIADRO CC(=O)N(c1nc(CSCC2CC[NH2+]CC2)cs1)c1ccc(C)cc1 ZINC000570567974 823055831 /nfs/dbraw/zinc/05/58/31/823055831.db2.gz ABGAXDOYYYFMNG-UHFFFAOYSA-N 1 0 375.563 4.369 20 0 GIADRO COC[C@@](C)(CCO)[NH2+]Cc1ccc(-c2ccccc2Br)s1 ZINC000175853124 823056028 /nfs/dbraw/zinc/05/60/28/823056028.db2.gz MIUALCWPCMBFRJ-QGZVFWFLSA-N 1 0 384.339 4.055 20 0 GIADRO Brc1cccc(NC2CC[NH+](Cc3ccc4[nH]cnc4c3)CC2)c1 ZINC000570581827 823057131 /nfs/dbraw/zinc/05/71/31/823057131.db2.gz PCIQKHVEHGGSMX-UHFFFAOYSA-N 1 0 385.309 4.402 20 0 GIADRO C[C@@H]1CCc2ccccc2[C@H]1NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458569183 823057390 /nfs/dbraw/zinc/05/73/90/823057390.db2.gz BOKVHDUEPKNODZ-BEFAXECRSA-N 1 0 397.485 4.368 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)C1(Cc2ccccc2)CCC1 ZINC000120753966 823057482 /nfs/dbraw/zinc/05/74/82/823057482.db2.gz FCBVEBUKSKJUDK-UHFFFAOYSA-N 1 0 392.543 4.242 20 0 GIADRO C[C@H]([NH2+][C@@H](C)C1CCS(=O)(=O)CC1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000187414232 823058935 /nfs/dbraw/zinc/05/89/35/823058935.db2.gz UPDMSUPDGAYDHM-RDBSUJKOSA-N 1 0 377.472 4.000 20 0 GIADRO C[NH+](C)C[C@H](NC(=O)[C@@H]1C[C@H]1c1c(F)cccc1Cl)c1ccc(F)cc1 ZINC000570595240 823059589 /nfs/dbraw/zinc/05/95/89/823059589.db2.gz GNUIEXPXXOOZAX-RKVPGOIHSA-N 1 0 378.850 4.141 20 0 GIADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CC(c3cccc(Cl)c3)C2)CC1 ZINC000458586119 823059654 /nfs/dbraw/zinc/05/96/54/823059654.db2.gz VFWJWRMNORPSAS-MRXNPFEDSA-N 1 0 398.938 4.069 20 0 GIADRO COc1cc(C[NH2+]CCc2ccc(Cl)cc2)cc(OC)c1OCC(F)F ZINC000570599806 823060064 /nfs/dbraw/zinc/06/00/64/823060064.db2.gz WNQAUJVSEJGCIR-UHFFFAOYSA-N 1 0 385.838 4.333 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(NC(=O)C(C)(C)C)ccc2C)[C@H](C)C1 ZINC000120783109 823063218 /nfs/dbraw/zinc/06/32/18/823063218.db2.gz WORLPIQTPRELEF-APWZRJJASA-N 1 0 388.556 4.174 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)NC2CCC(OC(C)C)CC2)cc1 ZINC000120773866 823061203 /nfs/dbraw/zinc/06/12/03/823061203.db2.gz BCKYVGYFXGDHGN-UHFFFAOYSA-N 1 0 375.557 4.064 20 0 GIADRO CC(C)[C@H](Cc1ccccc1)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000187436479 823063537 /nfs/dbraw/zinc/06/35/37/823063537.db2.gz PZNDXGSHFNHDLI-QHCPKHFHSA-N 1 0 379.548 4.063 20 0 GIADRO Cc1cc(F)ccc1[C@@H]1CCCN1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000458616063 823064135 /nfs/dbraw/zinc/06/41/35/823064135.db2.gz RRHGYPKJVAILIE-QFIPXVFZSA-N 1 0 396.510 4.292 20 0 GIADRO Cc1nn2c(CNc3cccc4c3OCC[C@H]4[NH+](C)C)c(C(C)C)nc2s1 ZINC000570627462 823064356 /nfs/dbraw/zinc/06/43/56/823064356.db2.gz OWIQKURFYPROIE-MRXNPFEDSA-N 1 0 385.537 4.220 20 0 GIADRO Cc1ccc(SCc2nnc(N3CC[C@H]([NH+]4CCCC4)C3)n2C(C)C)cc1 ZINC000570655197 823067714 /nfs/dbraw/zinc/06/77/14/823067714.db2.gz XXMARXKUJDNWJB-SFHVURJKSA-N 1 0 385.581 4.134 20 0 GIADRO C[C@@H](NC(=O)NCc1ccc(C(C)(F)F)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000458621826 823065050 /nfs/dbraw/zinc/06/50/50/823065050.db2.gz AYBUMKIGMLGMNI-NVXWUHKLSA-N 1 0 379.495 4.251 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)Nc2cccc(CSc3ccccn3)c2)CC[N@@H+]1C ZINC000175893365 823065454 /nfs/dbraw/zinc/06/54/54/823065454.db2.gz CNLDRCRZUGIEQE-LPHOPBHVSA-N 1 0 384.549 4.320 20 0 GIADRO C[C@H](c1ccncc1)N(C)C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000187449606 823065739 /nfs/dbraw/zinc/06/57/39/823065739.db2.gz XCBZJELPMJZGRE-KDOFPFPSSA-N 1 0 394.441 4.106 20 0 GIADRO COc1ccc(C[C@@H](C)[NH2+]C[C@H](c2c(F)cccc2F)N(C)C)c(C)c1OC ZINC000570645079 823066032 /nfs/dbraw/zinc/06/60/32/823066032.db2.gz CMKJPYXIBQSERK-AUUYWEPGSA-N 1 0 392.490 4.114 20 0 GIADRO C[C@@H](c1ccccn1)N(C)C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000187452421 823066427 /nfs/dbraw/zinc/06/64/27/823066427.db2.gz VTQPVUAKYAAIEI-KBXCAEBGSA-N 1 0 394.441 4.106 20 0 GIADRO C[N@@H+]1CC[C@H](CNC(=O)NC2(C3(C)CC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000458628733 823066513 /nfs/dbraw/zinc/06/65/13/823066513.db2.gz WSUOCSXBAOCTMW-PBHICJAKSA-N 1 0 379.907 4.104 20 0 GIADRO CCCC[NH+]1CCC(NC(=O)Nc2ccc(Sc3ncccn3)cc2C)CC1 ZINC000175896760 823066529 /nfs/dbraw/zinc/06/65/29/823066529.db2.gz HUKPBHCGTGMQGJ-UHFFFAOYSA-N 1 0 399.564 4.322 20 0 GIADRO COc1cc(C[N@H+](C)CCc2ccccn2)cc(OC)c1OCc1ccccc1 ZINC000120800159 823066605 /nfs/dbraw/zinc/06/66/05/823066605.db2.gz CXWLJENREQNDDP-UHFFFAOYSA-N 1 0 392.499 4.352 20 0 GIADRO C[C@@H](NC(=O)N1CC(c2cccc(Cl)c2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000458630173 823066746 /nfs/dbraw/zinc/06/67/46/823066746.db2.gz KHVGWTIYDIMSNL-WBVHZDCISA-N 1 0 375.944 4.102 20 0 GIADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)N[C@@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000187456662 823067132 /nfs/dbraw/zinc/06/71/32/823067132.db2.gz GPUGQEVPMBEFAK-NHCUHLMSSA-N 1 0 395.547 4.297 20 0 GIADRO CC[C@H](CC(F)(F)F)NC(=O)NC[C@@H](c1ccc(SC)cc1)[NH+](C)C ZINC000458638784 823068200 /nfs/dbraw/zinc/06/82/00/823068200.db2.gz ATYRQXULHURDOE-HIFRSBDPSA-N 1 0 377.476 4.041 20 0 GIADRO CC(C)[C@@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(F)cc1F ZINC000120812332 823068868 /nfs/dbraw/zinc/06/88/68/823068868.db2.gz LSUHTWVAQJCPTH-VBKZILBWSA-N 1 0 396.503 4.263 20 0 GIADRO O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@H]2CCC[C@@H]21 ZINC000175906928 823069251 /nfs/dbraw/zinc/06/92/51/823069251.db2.gz AIPYUQPLWFIFRT-GGAORHGYSA-N 1 0 399.579 4.032 20 0 GIADRO COc1ccccc1Nc1ccccc1C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000570685908 823072042 /nfs/dbraw/zinc/07/20/42/823072042.db2.gz ZKYNNNDRMGKZCA-KRWDZBQOSA-N 1 0 381.520 4.241 20 0 GIADRO FC(F)(F)c1cccc(-c2noc(C[N@@H+]3CCC[C@@H]3[C@@H]3CCCOC3)n2)c1 ZINC000570679256 823071276 /nfs/dbraw/zinc/07/12/76/823071276.db2.gz QTDVRKLHXPYTPH-GDBMZVCRSA-N 1 0 381.398 4.146 20 0 GIADRO C[C@@H](CC(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1)C1CC[NH2+]CC1 ZINC000570680099 823071282 /nfs/dbraw/zinc/07/12/82/823071282.db2.gz JFYKLZQCIZNQNZ-HNNXBMFYSA-N 1 0 382.470 4.437 20 0 GIADRO C[NH+](C)CCN(Cc1cccs1)C(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC000175914009 823071368 /nfs/dbraw/zinc/07/13/68/823071368.db2.gz GFTRPZIHGNIBEG-UHFFFAOYSA-N 1 0 384.505 4.362 20 0 GIADRO Cc1cccnc1[C@@H]([NH2+]CC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1)C(C)C ZINC000120822261 823071539 /nfs/dbraw/zinc/07/15/39/823071539.db2.gz ZYRBFSOEWLNRAN-QRWLVFNGSA-N 1 0 375.463 4.175 20 0 GIADRO OC[C@@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1)c1ccccc1Cl ZINC000570682037 823071594 /nfs/dbraw/zinc/07/15/94/823071594.db2.gz ORUJEVLJLBSLED-WOJBJXKFSA-N 1 0 384.951 4.203 20 0 GIADRO COC(C)(C)CN(C)C(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000570681095 823071672 /nfs/dbraw/zinc/07/16/72/823071672.db2.gz AQAGXKXNEHGYGH-UHFFFAOYSA-N 1 0 379.570 4.153 20 0 GIADRO CCC(CC)c1cc(CNC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)on1 ZINC000175920645 823072895 /nfs/dbraw/zinc/07/28/95/823072895.db2.gz RXLXVHKNULZNOV-UHFFFAOYSA-N 1 0 398.551 4.290 20 0 GIADRO Cc1cnc([C@@H](NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C2CC2)s1 ZINC000175920750 823072926 /nfs/dbraw/zinc/07/29/26/823072926.db2.gz CKEIVYHPGDZHOR-FQEVSTJZSA-N 1 0 398.576 4.114 20 0 GIADRO O=C(NCc1noc2ccccc12)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000570695272 823072989 /nfs/dbraw/zinc/07/29/89/823072989.db2.gz RBUDQWOJBOTLEH-UHFFFAOYSA-N 1 0 394.475 4.014 20 0 GIADRO CC[C@@H](C[C@H](C)CO)[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000570703236 823073835 /nfs/dbraw/zinc/07/38/35/823073835.db2.gz OUOCFBVUZVKBRI-HZMBPMFUSA-N 1 0 379.136 4.098 20 0 GIADRO CC(C)(O)c1ccc(C[NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)cc1 ZINC000187505477 823076982 /nfs/dbraw/zinc/07/69/82/823076982.db2.gz YBOVWFHNZYDZOO-FQEVSTJZSA-N 1 0 389.923 4.415 20 0 GIADRO C[C@H](N[C@H](C[NH+]1CCCC1)c1ccccc1)c1cccc(N2CCCC2=O)c1 ZINC000120839912 823074615 /nfs/dbraw/zinc/07/46/15/823074615.db2.gz RGPHNTFDPPWTJZ-WMZHIEFXSA-N 1 0 377.532 4.301 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)COCc1ccccc1)c1ccc(Oc2cccnc2)cc1 ZINC000570718953 823075226 /nfs/dbraw/zinc/07/52/26/823075226.db2.gz IBOCFXKABZIBCU-GHTZIAJQSA-N 1 0 378.472 4.102 20 0 GIADRO Cc1c([C@H](C)N[C@@H](C[NH+]2CCCC2)c2ccccc2)nnn1-c1ccc(F)cc1 ZINC000120844436 823075285 /nfs/dbraw/zinc/07/52/85/823075285.db2.gz ROCCMCDOVLLMNV-JTSKRJEESA-N 1 0 393.510 4.203 20 0 GIADRO CCOCc1cccc(NC(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000175929901 823075536 /nfs/dbraw/zinc/07/55/36/823075536.db2.gz GXPXOPPVOUMMKQ-PXNSSMCTSA-N 1 0 387.549 4.489 20 0 GIADRO CC(C)[C@@H](CC(F)(F)F)NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000458698664 823075783 /nfs/dbraw/zinc/07/57/83/823075783.db2.gz WJIQAZVTZTUBLN-FUHWJXTLSA-N 1 0 385.474 4.127 20 0 GIADRO CSc1ccc([C@H](CNC(=O)NCC2(C(F)(F)F)CCC2)[NH+](C)C)cc1 ZINC000458752384 823081473 /nfs/dbraw/zinc/08/14/73/823081473.db2.gz JGZJFDQOGRIALD-HNNXBMFYSA-N 1 0 389.487 4.043 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000458721575 823077997 /nfs/dbraw/zinc/07/79/97/823077997.db2.gz CRCKMMWOTFJPSJ-RUCARUNLSA-N 1 0 393.503 4.046 20 0 GIADRO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC(C)(C)[C@H]1c1ccncc1)[NH+](C)C ZINC000458752770 823081556 /nfs/dbraw/zinc/08/15/56/823081556.db2.gz BVVJKXVJFPNDBC-DZFGPLHGSA-N 1 0 380.536 4.174 20 0 GIADRO CN(C(=O)c1ccccc1N1CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000570755960 823081604 /nfs/dbraw/zinc/08/16/04/823081604.db2.gz LHKHMPLSGHTBLG-NRFANRHFSA-N 1 0 377.532 4.023 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cn(C)nc2C(F)(F)F)cc1 ZINC000056012333 823078865 /nfs/dbraw/zinc/07/88/65/823078865.db2.gz BMCCTPWKHSXCQI-ZDUSSCGKSA-N 1 0 380.414 4.066 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)N(Cc2cccnc2)Cc2ccccc2C)CC1 ZINC000175946368 823079124 /nfs/dbraw/zinc/07/91/24/823079124.db2.gz IXHLDBDOFNRNDP-UHFFFAOYSA-N 1 0 394.563 4.224 20 0 GIADRO CN(C)c1c(Cl)cccc1NC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000175945908 823079129 /nfs/dbraw/zinc/07/91/29/823079129.db2.gz RIBOBLUVDOCUSK-UHFFFAOYSA-N 1 0 380.945 4.063 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)CCc2nc3c(cccc3C)[nH]2)[NH+]2CCCC2)cc1 ZINC000175947471 823079584 /nfs/dbraw/zinc/07/95/84/823079584.db2.gz WBQBZZOVTRPQBM-OAQYLSRUSA-N 1 0 390.531 4.066 20 0 GIADRO CC[C@H](C)[NH2+][C@H](CNC(=O)N1CCC(c2ccccc2F)CC1)c1ccco1 ZINC000570751084 823080989 /nfs/dbraw/zinc/08/09/89/823080989.db2.gz OZCWFQAKYCXZAF-OXJNMPFZSA-N 1 0 387.499 4.437 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)N(C)[C@@H](C)c2ccccc2Br)CC1 ZINC000175957113 823082019 /nfs/dbraw/zinc/08/20/19/823082019.db2.gz MAJQZXBUUMKSAA-HNNXBMFYSA-N 1 0 396.373 4.274 20 0 GIADRO Cc1cccc(OC[C@H](C)NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)c1 ZINC000175958331 823082145 /nfs/dbraw/zinc/08/21/45/823082145.db2.gz ZKECTFYLBPGJDS-FQEVSTJZSA-N 1 0 395.547 4.068 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Cc2noc3ccc(F)cc32)C1 ZINC000570783644 823086843 /nfs/dbraw/zinc/08/68/43/823086843.db2.gz OHUHLPNKRKDUSL-INIZCTEOSA-N 1 0 395.478 4.058 20 0 GIADRO c1cc(-c2n[nH]cc2CN2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cs1 ZINC000570766965 823083853 /nfs/dbraw/zinc/08/38/53/823083853.db2.gz DPPZSQACVSAOQJ-WIYYLYMNSA-N 1 0 378.545 4.092 20 0 GIADRO Clc1ccc([C@H]2CCC[C@@H]([NH2+]Cc3cn(Cc4cccnc4)nn3)C2)cc1 ZINC000570770822 823084717 /nfs/dbraw/zinc/08/47/17/823084717.db2.gz ZMKZKCSBQIVKNH-AZUAARDMSA-N 1 0 381.911 4.191 20 0 GIADRO Cc1cccnc1[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(N2CCCC2)cc1)C(C)C ZINC000120907744 823085209 /nfs/dbraw/zinc/08/52/09/823085209.db2.gz PJROFXHNFVXBBX-WIYYLYMNSA-N 1 0 380.536 4.304 20 0 GIADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)NC[C@@H](c2ccccc2)C2CC2)CC1 ZINC000458785205 823085286 /nfs/dbraw/zinc/08/52/86/823085286.db2.gz AVDIKDYZEZWLGJ-QFIPXVFZSA-N 1 0 381.520 4.079 20 0 GIADRO Cc1cc([C@@H](C)[NH2+]Cc2cccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)c2)cs1 ZINC000570773847 823085336 /nfs/dbraw/zinc/08/53/36/823085336.db2.gz VAWZVOHORVLINJ-SZNDQCEHSA-N 1 0 383.517 4.132 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)Nc2cc(Br)c(C)cc2C)CC1 ZINC000187545727 823086100 /nfs/dbraw/zinc/08/61/00/823086100.db2.gz CNDSVESJZOZREF-UHFFFAOYSA-N 1 0 382.346 4.404 20 0 GIADRO FC(F)(F)c1cnc(N2CC[C@@H]([NH2+]Cc3ccc4c(n3)CCC4)C2)c(Cl)c1 ZINC000570779076 823086290 /nfs/dbraw/zinc/08/62/90/823086290.db2.gz UJFGSCQKBRCQRM-OAHLLOKOSA-N 1 0 396.844 4.006 20 0 GIADRO [NH3+]C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000570792571 823088204 /nfs/dbraw/zinc/08/82/04/823088204.db2.gz MLHXAJHNJWXNDS-KSZLIROESA-N 1 0 389.524 4.263 20 0 GIADRO CC(C)(C)c1ccc(C[NH2+]Cc2ccc(N3CCCS3(=O)=O)c(F)c2)s1 ZINC000187559090 823088269 /nfs/dbraw/zinc/08/82/69/823088269.db2.gz LHBYSPLOROLUMM-UHFFFAOYSA-N 1 0 396.553 4.014 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCc3ccnc(OC4CCCC4)c3)ccc21 ZINC000570794113 823088322 /nfs/dbraw/zinc/08/83/22/823088322.db2.gz JWVDVYJCRHMHLF-OAQYLSRUSA-N 1 0 394.519 4.274 20 0 GIADRO Cc1ccc(-c2ncc(C[NH+]3CCC(c4nnc5ccccn54)CC3)s2)o1 ZINC000120930934 823088426 /nfs/dbraw/zinc/08/84/26/823088426.db2.gz GKTFSPYWMGYKOZ-UHFFFAOYSA-N 1 0 379.489 4.134 20 0 GIADRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]Cc1ccccc1Br ZINC000120933322 823088781 /nfs/dbraw/zinc/08/87/81/823088781.db2.gz IVRIXKARSRMJLJ-NSHDSACASA-N 1 0 382.689 4.004 20 0 GIADRO Fc1cc2cccnc2c(C[NH2+]CCc2ccc(OCC(F)(F)F)nc2)c1 ZINC000187573058 823090609 /nfs/dbraw/zinc/09/06/09/823090609.db2.gz VMAWFCSBLYMLNE-UHFFFAOYSA-N 1 0 379.357 4.042 20 0 GIADRO Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2F)c(OCC[NH+](C)C)c1 ZINC000175993527 823090676 /nfs/dbraw/zinc/09/06/76/823090676.db2.gz IQZHRCQAEBADQH-UHFFFAOYSA-N 1 0 384.373 4.346 20 0 GIADRO COc1cc(C)c([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(Cl)cc2)cc1OC ZINC000056154165 823090712 /nfs/dbraw/zinc/09/07/12/823090712.db2.gz MHNXUCSHKQYPGF-UONOGXRCSA-N 1 0 376.884 4.343 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+]Cc2ccc(Br)cc2OC)s1 ZINC000187574751 823090824 /nfs/dbraw/zinc/09/08/24/823090824.db2.gz AYCZMTFKJSWOHB-LLVKDONJSA-N 1 0 399.354 4.262 20 0 GIADRO C[C@@H]1CC([NH2+]Cc2cc(Br)ccc2Br)C[C@@H](C)O1 ZINC000187576181 823091194 /nfs/dbraw/zinc/09/11/94/823091194.db2.gz DHSDVTXTQSFLLP-NXEZZACHSA-N 1 0 377.120 4.257 20 0 GIADRO C[C@@H]1CN(C(=O)NCC[C@H](c2ccccc2)C(F)(F)F)CC[N@@H+](C2CCC2)C1 ZINC000458818586 823091533 /nfs/dbraw/zinc/09/15/33/823091533.db2.gz MZKSNZKSWKQXRS-QFBILLFUSA-N 1 0 397.485 4.238 20 0 GIADRO CN(C(=O)NC[C@H]1CCCCC(F)(F)C1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458821974 823091948 /nfs/dbraw/zinc/09/19/48/823091948.db2.gz WNXLINBOUBXWGX-AWEZNQCLSA-N 1 0 399.448 4.260 20 0 GIADRO CCCOc1ccc([C@H](C)[NH2+]Cc2cc(=O)oc3c(C)c(O)ccc23)cc1OC ZINC000056161946 823092738 /nfs/dbraw/zinc/09/27/38/823092738.db2.gz LZAKFEGMUWEOFC-HNNXBMFYSA-N 1 0 397.471 4.455 20 0 GIADRO CCCOc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccnc2Cl)cc1OC ZINC000056161922 823092769 /nfs/dbraw/zinc/09/27/69/823092769.db2.gz HFEGNHHPYFGJMP-UONOGXRCSA-N 1 0 391.899 4.210 20 0 GIADRO COc1ccc(-c2csc3ncnc(N4CC[C@@H]([NH+]5CCCC5)[C@H]4C)c23)cc1 ZINC000570834234 823093356 /nfs/dbraw/zinc/09/33/56/823093356.db2.gz GARAYIBXCIRSPD-DNVCBOLYSA-N 1 0 394.544 4.430 20 0 GIADRO Cc1ccc(-c2ncc(C[NH+]3CCC(C(=O)NCc4ccccc4)CC3)s2)o1 ZINC000120966846 823094477 /nfs/dbraw/zinc/09/44/77/823094477.db2.gz NLQARAOYRWLKET-UHFFFAOYSA-N 1 0 395.528 4.240 20 0 GIADRO NS(=O)(=O)c1ccc2c(c1)[C@@H]([NH2+][C@H](c1ccccc1)C1CCCC1)CCC2 ZINC000570862758 823097997 /nfs/dbraw/zinc/09/79/97/823097997.db2.gz OASPAMHBIJGUTE-FCHUYYIVSA-N 1 0 384.545 4.233 20 0 GIADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Nc1ccc2ccn(C)c2c1 ZINC000176017821 823096815 /nfs/dbraw/zinc/09/68/15/823096815.db2.gz KNOUROULAZHXKH-UHFFFAOYSA-N 1 0 384.446 4.306 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000120981760 823096987 /nfs/dbraw/zinc/09/69/87/823096987.db2.gz ZLYMMOMRVXEBBA-RYUDHWBXSA-N 1 0 380.366 4.112 20 0 GIADRO O=C(NCC[C@@H](c1ccccc1)C(F)(F)F)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000458847871 823097265 /nfs/dbraw/zinc/09/72/65/823097265.db2.gz REPLFERYQHVWBS-OALUTQOASA-N 1 0 397.485 4.383 20 0 GIADRO CCc1ccc([C@@H](C)CC(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000176037053 823102714 /nfs/dbraw/zinc/10/27/14/823102714.db2.gz IQUJAWBBIRFYFY-IBGZPJMESA-N 1 0 394.559 4.016 20 0 GIADRO CCC(CC)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000056207105 823103218 /nfs/dbraw/zinc/10/32/18/823103218.db2.gz UUHWUTYFRWQFEO-CVEARBPZSA-N 1 0 399.510 4.422 20 0 GIADRO CC(=O)c1ccc(NC(=O)CCN2CC[NH+](C3CCC(C(C)C)CC3)CC2)cc1 ZINC000176026863 823099164 /nfs/dbraw/zinc/09/91/64/823099164.db2.gz UTYUUJFHAITBBL-UHFFFAOYSA-N 1 0 399.579 4.050 20 0 GIADRO Cc1cccnc1[C@H]([NH2+]C[C@H](O)COc1cccc(C(F)(F)F)c1)C(C)C ZINC000120996342 823099602 /nfs/dbraw/zinc/09/96/02/823099602.db2.gz VYCPLMMUSILGHQ-FUHWJXTLSA-N 1 0 382.426 4.135 20 0 GIADRO CCCN(CCc1cccc(F)c1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000176033274 823101176 /nfs/dbraw/zinc/10/11/76/823101176.db2.gz BPVRSEFXVGUTLA-UHFFFAOYSA-N 1 0 375.532 4.197 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)NCc2cc(COC(C)(C)C)on2)cc1)C(C)C ZINC000187630478 823101486 /nfs/dbraw/zinc/10/14/86/823101486.db2.gz ZDBWQXUMIVORQL-UHFFFAOYSA-N 1 0 387.524 4.150 20 0 GIADRO CSc1ccc([C@@H](CNC(=O)N(C)C2CCC(F)(F)CC2)[NH+](C)C)cc1 ZINC000458883979 823101706 /nfs/dbraw/zinc/10/17/06/823101706.db2.gz FUKMJXQGMLKSJJ-QGZVFWFLSA-N 1 0 385.524 4.231 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1cccc(OCc2ccccn2)c1)C(=O)Nc1ccccc1 ZINC000056201357 823102083 /nfs/dbraw/zinc/10/20/83/823102083.db2.gz JMZSJNNFSSHDBN-ZWKOTPCHSA-N 1 0 375.472 4.338 20 0 GIADRO O=S1(=O)C[C@@H]([NH2+][C@H](CCc2ccccc2)Cc2ccccc2)c2ccccc21 ZINC000570886395 823102113 /nfs/dbraw/zinc/10/21/13/823102113.db2.gz VODWNMFQRCOKNA-FYYLOGMGSA-N 1 0 391.536 4.349 20 0 GIADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCC[C@@H](CCCc2ccccc2)C1 ZINC000121018490 823103570 /nfs/dbraw/zinc/10/35/70/823103570.db2.gz IVSCKSCLVCYTCH-GGAORHGYSA-N 1 0 386.580 4.041 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000121021007 823104161 /nfs/dbraw/zinc/10/41/61/823104161.db2.gz BQBKOHXRVIIIOM-KRWDZBQOSA-N 1 0 396.922 4.486 20 0 GIADRO O=C1[C@@H]([NH2+]Cc2cnc(C3CCCCC3)s2)CCN1Cc1ccc(F)cc1 ZINC000570897844 823104744 /nfs/dbraw/zinc/10/47/44/823104744.db2.gz CUOLCZLSXYNBDT-IBGZPJMESA-N 1 0 387.524 4.221 20 0 GIADRO C[NH+]1CCC(NC(=O)N[C@H](Cc2ccccc2C(F)(F)F)C(C)(C)C)CC1 ZINC000570900093 823105140 /nfs/dbraw/zinc/10/51/40/823105140.db2.gz UCJRTFPIMAGHFS-QGZVFWFLSA-N 1 0 385.474 4.056 20 0 GIADRO CCCCOC1CCN(C(=O)NC[C@@H](c2ccc(SC)cc2)[NH+](C)C)CC1 ZINC000458912308 823105326 /nfs/dbraw/zinc/10/53/26/823105326.db2.gz ZWKDYICZBRGHLN-FQEVSTJZSA-N 1 0 393.597 4.002 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)NCc1cc(C2CC2)ccc1F ZINC000458915154 823105694 /nfs/dbraw/zinc/10/56/94/823105694.db2.gz SZRCVMZWFCDNKN-UHFFFAOYSA-N 1 0 396.510 4.156 20 0 GIADRO Cc1cccc2nc(C3CCN(C(=O)NC[C@H](C)C[NH+]4CCCCC4)CC3)oc21 ZINC000187660256 823107598 /nfs/dbraw/zinc/10/75/98/823107598.db2.gz VGBDQFUBVMCKCQ-KRWDZBQOSA-N 1 0 398.551 4.147 20 0 GIADRO CC[C@@H]1CCCC[C@@H]1CNC(=O)N1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000458941800 823109663 /nfs/dbraw/zinc/10/96/63/823109663.db2.gz MPIZQVHEPYCMNZ-IPMKNSEASA-N 1 0 392.613 4.131 20 0 GIADRO CCC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(CC)CC)cc1)c1ccsc1 ZINC000187669345 823109713 /nfs/dbraw/zinc/10/97/13/823109713.db2.gz DOYWPHPBPQBHTJ-LJQANCHMSA-N 1 0 380.579 4.410 20 0 GIADRO O=C(CCCc1ccccc1)N[C@@H]1CCC[N@H+](Cc2cccc3cc[nH]c32)C1 ZINC000570972556 823113803 /nfs/dbraw/zinc/11/38/03/823113803.db2.gz GLCMDOHYVFZVLQ-JOCHJYFZSA-N 1 0 375.516 4.271 20 0 GIADRO CCn1c(-c2sccc2C)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000570945629 823110451 /nfs/dbraw/zinc/11/04/51/823110451.db2.gz IHBZJZDMJSIGKA-MSOLQXFVSA-N 1 0 387.597 4.426 20 0 GIADRO CC[NH+](CC)CC1CCN(C(=O)N[C@H]2CCCC[C@H]2CC(F)(F)F)CC1 ZINC000458954192 823110663 /nfs/dbraw/zinc/11/06/63/823110663.db2.gz WNIQWOZXKXPBMQ-IRXDYDNUSA-N 1 0 377.495 4.261 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc2c(C)cc(=O)[nH]c2c1)c1ccccc1 ZINC000570947348 823110692 /nfs/dbraw/zinc/11/06/92/823110692.db2.gz CJVZOLUJNCUBGZ-NRFANRHFSA-N 1 0 377.488 4.062 20 0 GIADRO O=C(CCOCc1ccccc1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000570950904 823111254 /nfs/dbraw/zinc/11/12/54/823111254.db2.gz LOQSBGLYNLIBAZ-UHFFFAOYSA-N 1 0 392.543 4.108 20 0 GIADRO CN(C(=O)N[C@@H](c1ccc(F)c(Cl)c1)C1CC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000458994735 823114022 /nfs/dbraw/zinc/11/40/22/823114022.db2.gz DXBFBYKLSAVPOA-QDXKRRSBSA-N 1 0 379.907 4.197 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](c2ccc(F)c(Cl)c2)C2CC2)C[C@@H]1C ZINC000458975185 823112287 /nfs/dbraw/zinc/11/22/87/823112287.db2.gz AROQGAPSUSVNHM-AXHNFQJDSA-N 1 0 381.923 4.444 20 0 GIADRO COc1ccccc1[C@H](CN[C@@H](c1ncc[nH]1)c1ccc(F)cc1)[NH+]1CCCC1 ZINC000187685415 823112779 /nfs/dbraw/zinc/11/27/79/823112779.db2.gz VTABTZWCCQWVLD-RBBKRZOGSA-N 1 0 394.494 4.074 20 0 GIADRO C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC000176072738 823112825 /nfs/dbraw/zinc/11/28/25/823112825.db2.gz CPVIHZJNDCYRNE-QUCCMNQESA-N 1 0 397.563 4.294 20 0 GIADRO CCSc1cc(CNC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)ccn1 ZINC000187691857 823114164 /nfs/dbraw/zinc/11/41/64/823114164.db2.gz LNLVIIGATKFDCQ-UHFFFAOYSA-N 1 0 390.597 4.036 20 0 GIADRO COc1cccc([C@@H](CN[C@@H](c2ncc[nH]2)c2ccc(F)cc2)[NH+]2CCCC2)c1 ZINC000187690883 823113691 /nfs/dbraw/zinc/11/36/91/823113691.db2.gz CTCQOKDFTIHPJE-FGZHOGPDSA-N 1 0 394.494 4.074 20 0 GIADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)CCc2ccc(Br)cc2)C1 ZINC000176078318 823114324 /nfs/dbraw/zinc/11/43/24/823114324.db2.gz GMKMNUZWISULPD-MRXNPFEDSA-N 1 0 381.358 4.010 20 0 GIADRO COc1ccc2oc([C@H](C)NC(=O)N(C)[C@H](C)C3CC[NH+](C)CC3)c(C)c2c1 ZINC000570976347 823114472 /nfs/dbraw/zinc/11/44/72/823114472.db2.gz TVUXLBZTNJEXFR-JKSUJKDBSA-N 1 0 387.524 4.183 20 0 GIADRO CCN(C(=O)NCCCc1ncccc1C)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000459000637 823114938 /nfs/dbraw/zinc/11/49/38/823114938.db2.gz ZPPRUGKPKTUKHC-RBBKRZOGSA-N 1 0 394.563 4.190 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@H](C)C[C@H](O)c2ccc(F)cc2)nnn1-c1ccc(F)cc1 ZINC000121086377 823115713 /nfs/dbraw/zinc/11/57/13/823115713.db2.gz ZPXPDICTINJIRB-CKNLXJGOSA-N 1 0 386.446 4.017 20 0 GIADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@@H](c1ccco1)c1ccccc1 ZINC000570985108 823115723 /nfs/dbraw/zinc/11/57/23/823115723.db2.gz UZUJAECQRPOTCB-XMSQKQJNSA-N 1 0 377.488 4.189 20 0 GIADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)N[C@@H](c3ccc(F)c(Cl)c3)C3CC3)CC[C@@H]21 ZINC000459006790 823115896 /nfs/dbraw/zinc/11/58/96/823115896.db2.gz KWTNHFNPAYMZHY-AYOQOUSVSA-N 1 0 379.907 4.056 20 0 GIADRO O=C(N[C@@H](c1ccc(F)c(Cl)c1)C1CC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000459020646 823117714 /nfs/dbraw/zinc/11/77/14/823117714.db2.gz SEAHWTSSUBSZAE-IFXJQAMLSA-N 1 0 379.907 4.058 20 0 GIADRO COc1ccc(Sc2ccc(NC(=O)N3CC[C@@H]([NH+]4CC=CC4)C3)cc2)cc1 ZINC000176093408 823118402 /nfs/dbraw/zinc/11/84/02/823118402.db2.gz IGSVCLNLCUOMTP-GOSISDBHSA-N 1 0 395.528 4.324 20 0 GIADRO CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)s1 ZINC000571002939 823118586 /nfs/dbraw/zinc/11/85/86/823118586.db2.gz SWBHOECEBORORK-XNJGSVPQSA-N 1 0 397.548 4.212 20 0 GIADRO CC[C@@H]([NH2+][C@H]1CCc2c1cc(F)cc2F)c1ccccc1OCC(=O)N(C)C ZINC000121103487 823119140 /nfs/dbraw/zinc/11/91/40/823119140.db2.gz ZIIDVYHCGPSKIT-UXHICEINSA-N 1 0 388.458 4.160 20 0 GIADRO C[C@H]1C[C@H](NC(=O)Cc2ccccc2C(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000176100649 823120284 /nfs/dbraw/zinc/12/02/84/823120284.db2.gz MTBUHKRZZSEYOE-QFBILLFUSA-N 1 0 390.449 4.417 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)c2cc(-c3cccs3)on2)CC[N@@H+]1Cc1ccccc1 ZINC000176103235 823121732 /nfs/dbraw/zinc/12/17/32/823121732.db2.gz XXAPZOLOKVHQBK-NVXWUHKLSA-N 1 0 381.501 4.186 20 0 GIADRO COc1ccc(CN(Cc2ccccc2)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000459058728 823121831 /nfs/dbraw/zinc/12/18/31/823121831.db2.gz MZBISYAPZLXFEP-FRIKZZABSA-N 1 0 393.531 4.032 20 0 GIADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)NC[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000459060446 823122147 /nfs/dbraw/zinc/12/21/47/823122147.db2.gz LBERDSJMPWIDQU-UYAOXDASSA-N 1 0 395.613 4.053 20 0 GIADRO C[NH2+][C@@H](CC(C)(C)C)C(=O)N[C@H](c1ccccc1OC(F)F)C(F)(F)F ZINC000571043750 823124538 /nfs/dbraw/zinc/12/45/38/823124538.db2.gz CIDLTYRCBWWVQE-WCQYABFASA-N 1 0 382.373 4.032 20 0 GIADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc(-c2cccs2)nc2ccccc21 ZINC000121136313 823124581 /nfs/dbraw/zinc/12/45/81/823124581.db2.gz GTTNRDUCCVMAOT-QRWLVFNGSA-N 1 0 379.529 4.376 20 0 GIADRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)Nc2ccc3nc(-c4ccc(F)cc4)oc3c2)C1(C)C ZINC000187736587 823122358 /nfs/dbraw/zinc/12/23/58/823122358.db2.gz CJLLPFICVBASNE-XMSQKQJNSA-N 1 0 397.450 4.105 20 0 GIADRO C[C@@]1(c2ccccc2)CC[C@H]([NH2+]C2CCN(CC(=O)Nc3ccccc3)CC2)C1 ZINC000187741142 823122906 /nfs/dbraw/zinc/12/29/06/823122906.db2.gz YWZXJOBKWKZPCK-UKILVPOCSA-N 1 0 391.559 4.190 20 0 GIADRO Cc1cc(NC(=O)c2occc2Br)ccc1OCC[NH+]1CCCC1 ZINC000176109435 823123033 /nfs/dbraw/zinc/12/30/33/823123033.db2.gz JKCYQSGMOVUJGW-UHFFFAOYSA-N 1 0 393.281 4.077 20 0 GIADRO O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000571034936 823123238 /nfs/dbraw/zinc/12/32/38/823123238.db2.gz YJFXZAKKLWVONP-CBPXPLCBSA-N 1 0 382.479 4.131 20 0 GIADRO Cc1cc(C)c(CNC(=O)N(Cc2ccc3c(c2)CCO3)C2CCCC2)cn1 ZINC000459072218 823123901 /nfs/dbraw/zinc/12/39/01/823123901.db2.gz HZJNNZZBZYVKCS-UHFFFAOYSA-N 1 0 379.504 4.288 20 0 GIADRO COc1ccccc1[C@H]1[C@@H]([NH3+])CCCN1C(=O)CCCc1ccc(SC)cc1 ZINC000571047541 823124983 /nfs/dbraw/zinc/12/49/83/823124983.db2.gz WVSAVVFQWQIRAW-REWPJTCUSA-N 1 0 398.572 4.431 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CCC[C@H](c3ccc(Cl)cc3)C2)CC[N@@H+]1C ZINC000459080425 823125172 /nfs/dbraw/zinc/12/51/72/823125172.db2.gz DQIKWWHOCWXPGA-MCYKXBRJSA-N 1 0 377.960 4.490 20 0 GIADRO CC[C@@H](Cc1ccccc1)NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000176117080 823125780 /nfs/dbraw/zinc/12/57/80/823125780.db2.gz DWHQOEKMEWBPHI-QFIPXVFZSA-N 1 0 379.548 4.314 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C)s1 ZINC000187754077 823125974 /nfs/dbraw/zinc/12/59/74/823125974.db2.gz YMTAXIAADYXUOG-FVQBIDKESA-N 1 0 397.585 4.079 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(Cl)cc1 ZINC000121144024 823126517 /nfs/dbraw/zinc/12/65/17/823126517.db2.gz OYKNQOCCJKFLFR-LIRRHRJNSA-N 1 0 380.941 4.392 20 0 GIADRO CN(CCC1CCOCC1)Cn1nc(-c2ccc(OC(F)F)cc2)oc1=S ZINC000121151542 823127986 /nfs/dbraw/zinc/12/79/86/823127986.db2.gz KUSNBCLOKPDWAG-UHFFFAOYSA-N 1 0 399.463 4.180 20 0 GIADRO CC[C@H](Cc1ccccc1)[N@H+](C)Cc1ncc(I)s1 ZINC000571086041 823130139 /nfs/dbraw/zinc/13/01/39/823130139.db2.gz AGKQVSRLWJIRJF-CYBMUJFWSA-N 1 0 386.302 4.201 20 0 GIADRO CNC(=O)c1ccc(C[N@H+](C)Cc2ccc(OCc3csc(C)n3)cc2)cc1 ZINC000121151985 823128243 /nfs/dbraw/zinc/12/82/43/823128243.db2.gz WTXYSGILYFMOMS-UHFFFAOYSA-N 1 0 395.528 4.022 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)N1CCC[C@H]1[C@H]1CCCOC1 ZINC000571076254 823128528 /nfs/dbraw/zinc/12/85/28/823128528.db2.gz PCQPTQFSZLBMTB-GOTSBHOMSA-N 1 0 399.579 4.163 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1c[nH]nc1-c1ccsc1 ZINC000187767595 823128740 /nfs/dbraw/zinc/12/87/40/823128740.db2.gz NTIDPMRBTGHDAI-SFHVURJKSA-N 1 0 394.544 4.122 20 0 GIADRO Cc1cc(SC2CCCCC2)ccc1NC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000571078859 823128852 /nfs/dbraw/zinc/12/88/52/823128852.db2.gz XPHSXMLGDHVGAC-INIZCTEOSA-N 1 0 399.564 4.016 20 0 GIADRO CCO[C@@H]1C[C@]([NH3+])(C(=O)Nc2cccc(OCc3ccccc3C)c2)C1(C)C ZINC000187771598 823129608 /nfs/dbraw/zinc/12/96/08/823129608.db2.gz VHIAAKCSBGZCNU-OFNKIYASSA-N 1 0 382.504 4.045 20 0 GIADRO C[C@@H](c1cccc(Cl)c1)N(C)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000056360504 823135894 /nfs/dbraw/zinc/13/58/94/823135894.db2.gz UXMQTCJKVCMDKC-YJBOKZPZSA-N 1 0 375.900 4.473 20 0 GIADRO COC[C@@]1(C[NH2+]Cc2cc(C(F)(F)F)ccc2F)OCCc2ccccc21 ZINC000571091874 823130860 /nfs/dbraw/zinc/13/08/60/823130860.db2.gz GUQXJJSQLOTNQN-LJQANCHMSA-N 1 0 383.385 4.049 20 0 GIADRO COc1ccc(CCCC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000176130658 823131360 /nfs/dbraw/zinc/13/13/60/823131360.db2.gz QGSOAAJDTNOUDN-KNQAVFIVSA-N 1 0 380.532 4.187 20 0 GIADRO c1c2c(sc1-c1nnc(CN3CCC[C@@H]3C[NH+]3CCCCC3)o1)CCCC2 ZINC000121189854 823135356 /nfs/dbraw/zinc/13/53/56/823135356.db2.gz BGDALNZSCRSEJF-QGZVFWFLSA-N 1 0 386.565 4.127 20 0 GIADRO C[C@H]([NH2+][C@H]1CCc2ccc(-c3ccccc3)cc21)c1ccc(S(N)(=O)=O)cc1 ZINC000187786708 823132965 /nfs/dbraw/zinc/13/29/65/823132965.db2.gz XFEFOHYEDOFNRP-HJPURHCSSA-N 1 0 392.524 4.339 20 0 GIADRO COc1ccc(C[NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)c(C)c1OC ZINC000571120716 823135531 /nfs/dbraw/zinc/13/55/31/823135531.db2.gz XBECHIXDAVFLBA-UHFFFAOYSA-N 1 0 387.867 4.048 20 0 GIADRO Fc1ccc(-c2nc3c(s2)[C@@H]([NH2+]CCOC[C@H]2CCCO2)CCC3)cc1 ZINC000121191026 823135561 /nfs/dbraw/zinc/13/55/61/823135561.db2.gz LNUKYYNLNHOYMU-SJORKVTESA-N 1 0 376.497 4.112 20 0 GIADRO CCN(C(=O)NCCC1CC(F)(F)C1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000459145335 823134636 /nfs/dbraw/zinc/13/46/36/823134636.db2.gz WMEIYIOFWRYNCO-QFBILLFUSA-N 1 0 379.495 4.289 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)NCCC2CC(F)(F)C2)CC[N@@H+]1Cc1ccccc1 ZINC000459146941 823134982 /nfs/dbraw/zinc/13/49/82/823134982.db2.gz YDXVXUPJULQQNA-VQIMIIECSA-N 1 0 379.495 4.116 20 0 GIADRO Cc1cc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)cc(C)c1OCc1ccccn1 ZINC000121188751 823135033 /nfs/dbraw/zinc/13/50/33/823135033.db2.gz UCVJPEWRNZCLOU-HXUWFJFHSA-N 1 0 376.504 4.380 20 0 GIADRO O=C(Nc1nncs1)C1CC[NH+](CC2CCC(c3ccccc3)CC2)CC1 ZINC000571126573 823136843 /nfs/dbraw/zinc/13/68/43/823136843.db2.gz HRKGGPZCISBYNV-UHFFFAOYSA-N 1 0 384.549 4.163 20 0 GIADRO C[C@H](c1cccc(Cl)c1)N(C)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000056360507 823135938 /nfs/dbraw/zinc/13/59/38/823135938.db2.gz UXMQTCJKVCMDKC-CRAIPNDOSA-N 1 0 375.900 4.473 20 0 GIADRO CCO[C@@H]1C[C@]([NH3+])(C(=O)Nc2ccc(OCc3ccccc3)cc2C)C1(C)C ZINC000187799603 823135977 /nfs/dbraw/zinc/13/59/77/823135977.db2.gz PJVDMVPPEYQKMN-OFNKIYASSA-N 1 0 382.504 4.045 20 0 GIADRO Cc1ccc(-c2nc(-c3nc([C@@H]4C[N@@H+]5CCC[C@]5(C)CO4)no3)cs2)cc1 ZINC000571123850 823136166 /nfs/dbraw/zinc/13/61/66/823136166.db2.gz IPAFIFKVAOXTAN-OXJNMPFZSA-N 1 0 382.489 4.094 20 0 GIADRO COc1ccc(C(=O)Nc2cccc(C[N@@H+]3CCC[C@H](c4cc[nH]n4)C3)c2)cc1 ZINC000121201452 823137637 /nfs/dbraw/zinc/13/76/37/823137637.db2.gz QNCJVXGNZHSMOQ-IBGZPJMESA-N 1 0 390.487 4.050 20 0 GIADRO Cc1coc(-c2ccc(C)c(NC(=O)NCc3ccc(C[NH+](C)C)cc3)c2)n1 ZINC000121215243 823140314 /nfs/dbraw/zinc/14/03/14/823140314.db2.gz XQOSOMHTGXIAIX-UHFFFAOYSA-N 1 0 378.476 4.342 20 0 GIADRO C[C@@H](NC(=O)CC(C)(C)C)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000187819487 823140129 /nfs/dbraw/zinc/14/01/29/823140129.db2.gz GUCBNMWLZPBYGY-QGZVFWFLSA-N 1 0 387.568 4.331 20 0 GIADRO C[C@H](CCCc1cccnc1)NC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000459189287 823140903 /nfs/dbraw/zinc/14/09/03/823140903.db2.gz BMJQJXGOUXGEOS-OXQOHEQNSA-N 1 0 388.943 4.048 20 0 GIADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1 ZINC000571165354 823142924 /nfs/dbraw/zinc/14/29/24/823142924.db2.gz ZCVBEBODXWUYJR-GHMZBOCLSA-N 1 0 386.443 4.000 20 0 GIADRO CNC(=O)COc1cccc(C[NH2+][C@H](C)c2ccc(OC(C)C)c(Cl)c2)c1 ZINC000571174529 823144208 /nfs/dbraw/zinc/14/42/08/823144208.db2.gz CACILFDAVQTKOK-OAHLLOKOSA-N 1 0 390.911 4.103 20 0 GIADRO Cc1ccc(-n2cc(C[NH2+]C[C@@H](C)C[C@@H](C)O)c(-c3ccc(F)cc3)n2)cc1 ZINC000571184831 823145369 /nfs/dbraw/zinc/14/53/69/823145369.db2.gz LBTDRDCCEGSUGJ-ZWKOTPCHSA-N 1 0 381.495 4.483 20 0 GIADRO Cc1cnccc1CC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000571146267 823140692 /nfs/dbraw/zinc/14/06/92/823140692.db2.gz FIVVRKDADREZLY-WYNJDRFBSA-N 1 0 397.950 4.316 20 0 GIADRO COc1cccc(C[C@@H]([NH2+]C[C@@H]2CCN(c3cccc(OC)c3)C2)C2CC2)c1 ZINC000121244304 823146333 /nfs/dbraw/zinc/14/63/33/823146333.db2.gz LSVAAFLXOONHFD-YADARESESA-N 1 0 380.532 4.141 20 0 GIADRO C[N@@H+]1CCC[C@@H]1CCN1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 ZINC000121246871 823146927 /nfs/dbraw/zinc/14/69/27/823146927.db2.gz DVHRIJOSDSZDSS-HXUWFJFHSA-N 1 0 378.520 4.173 20 0 GIADRO Cc1c2ccccc2oc1[C@H](C)NC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000056421663 823147329 /nfs/dbraw/zinc/14/73/29/823147329.db2.gz JMXQASJYUYLJHZ-KRWDZBQOSA-N 1 0 392.503 4.161 20 0 GIADRO C[C@@H](Cc1ccc(F)cc1Br)[NH2+]Cc1cnn(CC(F)(F)F)c1 ZINC000571199565 823147460 /nfs/dbraw/zinc/14/74/60/823147460.db2.gz BLZXFQBLAMOHTE-JTQLQIEISA-N 1 0 394.210 4.068 20 0 GIADRO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000121265326 823151188 /nfs/dbraw/zinc/15/11/88/823151188.db2.gz QNQWXFVWEUXNHZ-MRXNPFEDSA-N 1 0 387.890 4.135 20 0 GIADRO CC(=O)Nc1ccc(-c2noc(C3CC[NH+](C4CC4)CC3)n2)cc1C(F)(F)F ZINC000571206279 823148301 /nfs/dbraw/zinc/14/83/01/823148301.db2.gz QCAODNDAURUDSQ-UHFFFAOYSA-N 1 0 394.397 4.056 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)NC[C@H]2CCc3ccccc32)CC1 ZINC000176188945 823148484 /nfs/dbraw/zinc/14/84/84/823148484.db2.gz PJEPWFXKBSKQDA-OAQYLSRUSA-N 1 0 377.532 4.022 20 0 GIADRO CCOCc1cc(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)ccc1OC ZINC000571207559 823148660 /nfs/dbraw/zinc/14/86/60/823148660.db2.gz BYUXTRDATAYVPM-DNVJHFABSA-N 1 0 381.516 4.236 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1O ZINC000571211087 823149417 /nfs/dbraw/zinc/14/94/17/823149417.db2.gz ZZBNYMXJZXEDIA-BZNIZROVSA-N 1 0 395.286 4.164 20 0 GIADRO C[C@@H](c1ccc(F)cc1)N(C)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000056441515 823149737 /nfs/dbraw/zinc/14/97/37/823149737.db2.gz PFMBYXPYXKAFIH-INIZCTEOSA-N 1 0 387.474 4.332 20 0 GIADRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)NC1CCC(C(F)F)CC1 ZINC000459239595 823149959 /nfs/dbraw/zinc/14/99/59/823149959.db2.gz CGHCINFSBIOABN-UHFFFAOYSA-N 1 0 387.902 4.237 20 0 GIADRO C[C@H](C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1)c1cc2ccccc2o1 ZINC000176198085 823150508 /nfs/dbraw/zinc/15/05/08/823150508.db2.gz MJXIWNCHAKGNOM-HNNXBMFYSA-N 1 0 379.460 4.065 20 0 GIADRO CN(C(=O)NC1CCC(C(F)F)CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000459242783 823150572 /nfs/dbraw/zinc/15/05/72/823150572.db2.gz FVYDYJWAICTJGW-UHFFFAOYSA-N 1 0 379.495 4.116 20 0 GIADRO C[C@@H](CNC(=O)NC1CC[NH+](C(C)(C)C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000187881887 823152080 /nfs/dbraw/zinc/15/20/80/823152080.db2.gz IDHRGGDFGLNUBM-AWEZNQCLSA-N 1 0 385.474 4.371 20 0 GIADRO CCCC[C@@H]([NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccs2)C1)c1ccccc1 ZINC000571231651 823152458 /nfs/dbraw/zinc/15/24/58/823152458.db2.gz XQHKJCQUVZLGOA-PKOBYXMFSA-N 1 0 392.590 4.280 20 0 GIADRO Cc1cnn(-c2ccc(C)cc2NC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000571236628 823153118 /nfs/dbraw/zinc/15/31/18/823153118.db2.gz HWBYLXKBBCWBEP-RTBURBONSA-N 1 0 395.551 4.264 20 0 GIADRO CC(=O)NC[C@@H]1CCC[N@H+](C/C=C/c2ccc(OCc3ccccc3)cc2)C1 ZINC000459287688 823156374 /nfs/dbraw/zinc/15/63/74/823156374.db2.gz ZMJLKPLWXCNQRM-LKYAVPRHSA-N 1 0 378.516 4.127 20 0 GIADRO COc1ccc(CC[N@@H+](CC(=O)Nc2cccc(C)c2C)CC(C)C)cc1OC ZINC000571237109 823153486 /nfs/dbraw/zinc/15/34/86/823153486.db2.gz GYCAGIRTHBFCMJ-UHFFFAOYSA-N 1 0 398.547 4.460 20 0 GIADRO C[N@@H+]1CCC[C@@H](CCNC(=O)Nc2ccccc2CN2CCc3ccccc32)C1 ZINC000459265070 823153686 /nfs/dbraw/zinc/15/36/86/823153686.db2.gz NOMDXUWLVQUZIE-IBGZPJMESA-N 1 0 392.547 4.103 20 0 GIADRO CCN(Cc1cccc(-c2ccncc2)c1)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000459268257 823154117 /nfs/dbraw/zinc/15/41/17/823154117.db2.gz RZYTWTOJMUVGBV-LJQANCHMSA-N 1 0 380.536 4.012 20 0 GIADRO COc1ccc(C[N@@H+]2CC[C@@H](COC(F)F)C2)cc1OCc1ccccc1 ZINC000571245978 823155013 /nfs/dbraw/zinc/15/50/13/823155013.db2.gz FOAOUCOZJGDGTK-GOSISDBHSA-N 1 0 377.431 4.335 20 0 GIADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccccc1NCc1cccnc1 ZINC000176218499 823155207 /nfs/dbraw/zinc/15/52/07/823155207.db2.gz SOJGVMRNCIAYNK-UHFFFAOYSA-N 1 0 392.547 4.221 20 0 GIADRO O=C(NC1CCC(C(F)F)CC1)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000459287588 823156559 /nfs/dbraw/zinc/15/65/59/823156559.db2.gz SMCJQRDAHSRQPC-OBFZPWGMSA-N 1 0 391.506 4.118 20 0 GIADRO COc1cccc(C[C@@H]2CCCN2C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)c1 ZINC000571259214 823157012 /nfs/dbraw/zinc/15/70/12/823157012.db2.gz LDHLZPVOUKVYOW-NZQKXSOJSA-N 1 0 393.531 4.483 20 0 GIADRO CC(C)Oc1ccccc1CNC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000056477959 823157787 /nfs/dbraw/zinc/15/77/87/823157787.db2.gz RFNSNWWKEVBYFR-UHFFFAOYSA-N 1 0 381.520 4.069 20 0 GIADRO C[C@H](CCO)[NH2+][C@@H]1CCCc2nc(-c3ccc(Br)cc3)sc21 ZINC000121313924 823161202 /nfs/dbraw/zinc/16/12/02/823161202.db2.gz CBTMOJQGLQPPEF-BXUZGUMPSA-N 1 0 381.339 4.311 20 0 GIADRO Cc1cc(NC(=O)N(C)[C@H]2CC[NH2+]C2)ccc1-c1ccc(Br)cc1 ZINC000571265949 823157964 /nfs/dbraw/zinc/15/79/64/823157964.db2.gz AVMQZUYHPQRFEH-KRWDZBQOSA-N 1 0 388.309 4.250 20 0 GIADRO COC(=O)COc1ccccc1[C@@H](C)[NH2+]Cc1cc(Br)ccc1C ZINC000190696186 823599193 /nfs/dbraw/zinc/59/91/93/823599193.db2.gz JBPUVWXUBQAUSL-CQSZACIVSA-N 1 0 392.293 4.160 20 0 GIADRO COc1ccccc1C[C@@H](C)N(C)C(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000176232327 823158739 /nfs/dbraw/zinc/15/87/39/823158739.db2.gz XPGDOADUQLIJEF-XLIONFOSSA-N 1 0 399.535 4.006 20 0 GIADRO OCC1CC[NH+](Cc2ccccc2NCc2nnc(-c3ccccc3)s2)CC1 ZINC000121304257 823159200 /nfs/dbraw/zinc/15/92/00/823159200.db2.gz ZYBGHZDVTQWWSC-UHFFFAOYSA-N 1 0 394.544 4.022 20 0 GIADRO COc1ccc(C[N@@H+]2CCC[C@@H](OCC3CC3)C2)c(OCc2cccnc2)c1 ZINC000571274582 823159278 /nfs/dbraw/zinc/15/92/78/823159278.db2.gz IIEXQKFIJOVZHZ-JOCHJYFZSA-N 1 0 382.504 4.060 20 0 GIADRO COC[C@@H]([NH2+]Cc1ccc(OC(C)C)cc1C(F)(F)F)C1CCOCC1 ZINC000187929326 823159530 /nfs/dbraw/zinc/15/95/30/823159530.db2.gz LCEZULYMQWTWPW-GOSISDBHSA-N 1 0 375.431 4.024 20 0 GIADRO c1c(CN2CCC([NH+]3CCCC3)CC2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459309958 823159711 /nfs/dbraw/zinc/15/97/11/823159711.db2.gz LTZSCVXVUMAVBZ-UHFFFAOYSA-N 1 0 379.552 4.120 20 0 GIADRO CC(=O)Nc1cccc(C(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)c1C ZINC000187931220 823159937 /nfs/dbraw/zinc/15/99/37/823159937.db2.gz PVOBFUSWQPYYOU-UHFFFAOYSA-N 1 0 393.531 4.115 20 0 GIADRO O=C(c1ccc2c(c1)CC[NH2+]CC2)N(Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000571281493 823160033 /nfs/dbraw/zinc/16/00/33/823160033.db2.gz ATILORNAYLUKBS-UHFFFAOYSA-N 1 0 397.522 4.242 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1ccc(F)c(Cl)c1 ZINC000176237439 823160217 /nfs/dbraw/zinc/16/02/17/823160217.db2.gz OSBKCLBXLYGJTB-SFHVURJKSA-N 1 0 389.902 4.143 20 0 GIADRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](c1ccc(Br)cc1Cl)C1CC1)CC2 ZINC000187934851 823160472 /nfs/dbraw/zinc/16/04/72/823160472.db2.gz LRPWFYKWGSCRRM-SUMWQHHRSA-N 1 0 395.732 4.058 20 0 GIADRO Cc1cc(C(=O)N2CC[N@H+](C)CC23CCCCC3)ccc1NC(=O)CC(C)C ZINC000176238545 823160505 /nfs/dbraw/zinc/16/05/05/823160505.db2.gz YNYJTFZQUCSLQY-UHFFFAOYSA-N 1 0 385.552 4.070 20 0 GIADRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](c1ccc(Br)cc1Cl)C1CC1)CC2 ZINC000187934828 823160559 /nfs/dbraw/zinc/16/05/59/823160559.db2.gz LRPWFYKWGSCRRM-CXAGYDPISA-N 1 0 395.732 4.058 20 0 GIADRO Cc1ccccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000056519831 823161060 /nfs/dbraw/zinc/16/10/60/823161060.db2.gz JUHOFZMVPLARAZ-UHFFFAOYSA-N 1 0 390.325 4.353 20 0 GIADRO C[N@@H+]1CCC[C@@H](CCNC(=O)N(Cc2cccs2)C2Cc3ccccc3C2)C1 ZINC000459325432 823161742 /nfs/dbraw/zinc/16/17/42/823161742.db2.gz WLVFPHMAIXRNQL-SFHVURJKSA-N 1 0 397.588 4.159 20 0 GIADRO CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000571300183 823162099 /nfs/dbraw/zinc/16/20/99/823162099.db2.gz HXDXSWCWXLSWLE-ZWKOTPCHSA-N 1 0 384.486 4.464 20 0 GIADRO COc1cccc(C[C@@H]([NH2+]CC2CCN(Cc3nc(C)c(C)o3)CC2)C2CC2)c1 ZINC000121340753 823166177 /nfs/dbraw/zinc/16/61/77/823166177.db2.gz DZKPILHZCXKCBK-HSZRJFAPSA-N 1 0 397.563 4.123 20 0 GIADRO CCC(CC)n1nc(C)cc1C(=O)N1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000571313665 823163874 /nfs/dbraw/zinc/16/38/74/823163874.db2.gz NPBSOLUFXCTYMF-IFMALSPDSA-N 1 0 396.579 4.365 20 0 GIADRO CO[C@@H](C)c1nc(CN2CCC[N@H+](CC3CCC(F)(F)CC3)CC2)cs1 ZINC000459341591 823165448 /nfs/dbraw/zinc/16/54/48/823165448.db2.gz KBHXSEQGKOXSFV-HNNXBMFYSA-N 1 0 387.540 4.184 20 0 GIADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)Cc1ccc(OC(F)F)c(F)c1 ZINC000571327762 823165918 /nfs/dbraw/zinc/16/59/18/823165918.db2.gz FPVZHZMUBFJMKB-GOSISDBHSA-N 1 0 393.453 4.309 20 0 GIADRO COc1c(Cl)cccc1NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000056549680 823166937 /nfs/dbraw/zinc/16/69/37/823166937.db2.gz HSVZWNDTTZWMNG-INIZCTEOSA-N 1 0 377.872 4.290 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)NCCCCn1ccnc1)C1CCCCC1 ZINC000056550325 823167264 /nfs/dbraw/zinc/16/72/64/823167264.db2.gz FMWUUMPFINMCAZ-UHFFFAOYSA-N 1 0 383.540 4.250 20 0 GIADRO COc1ccc(-c2ccccc2C)cc1C[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000459347422 823167321 /nfs/dbraw/zinc/16/73/21/823167321.db2.gz VLGIBIIIGWGXMU-JOCHJYFZSA-N 1 0 381.516 4.441 20 0 GIADRO CCOc1cc(CNc2cccc(NC(=O)CC[NH+]3CCCCC3)c2)ccc1O ZINC000459348486 823167771 /nfs/dbraw/zinc/16/77/71/823167771.db2.gz HSVFMJDSCZBYRT-UHFFFAOYSA-N 1 0 397.519 4.218 20 0 GIADRO CCN1CC[C@H]([NH2+]Cc2cc(F)ccc2OC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000571346681 823168628 /nfs/dbraw/zinc/16/86/28/823168628.db2.gz LMNNYZJEWMGPEV-FXAWDEMLSA-N 1 0 382.401 4.177 20 0 GIADRO C[C@H]([NH2+]CCN1CCc2c(Cl)cccc2C1)c1ccc(N2CCOC2=O)cc1 ZINC000187997943 823169189 /nfs/dbraw/zinc/16/91/89/823169189.db2.gz ACFAOWYWGGOAKY-INIZCTEOSA-N 1 0 399.922 4.006 20 0 GIADRO Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CCc2cnc(SC3CCCC3)nc2)c1 ZINC000571349218 823169262 /nfs/dbraw/zinc/16/92/62/823169262.db2.gz HKDZFXBVXHXGBF-QGZVFWFLSA-N 1 0 398.576 4.369 20 0 GIADRO Clc1ccc(C[NH2+]Cc2ccc(Cn3cncn3)cc2)c(Br)c1 ZINC000571352972 823169903 /nfs/dbraw/zinc/16/99/03/823169903.db2.gz QDDNYCDQVOFANI-UHFFFAOYSA-N 1 0 391.700 4.032 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)N3CCC[C@H]3C3CCCC3)c(C)c2)CC1 ZINC000056562928 823170698 /nfs/dbraw/zinc/17/06/98/823170698.db2.gz UIMPNQNSYGILFX-QFIPXVFZSA-N 1 0 384.568 4.323 20 0 GIADRO COc1cc(F)c(F)cc1NC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000571367748 823172636 /nfs/dbraw/zinc/17/26/36/823172636.db2.gz LQUMFTFXCXVDNG-INIZCTEOSA-N 1 0 383.826 4.051 20 0 GIADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(C)(C)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000188021121 823173132 /nfs/dbraw/zinc/17/31/32/823173132.db2.gz VDGDOFGYJGMBQS-WMZOPIPTSA-N 1 0 382.470 4.217 20 0 GIADRO COc1ccccc1CC[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459377993 823177311 /nfs/dbraw/zinc/17/73/11/823177311.db2.gz YOPRIBMVYDXMNY-UHFFFAOYSA-N 1 0 376.504 4.401 20 0 GIADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000176295243 823174935 /nfs/dbraw/zinc/17/49/35/823174935.db2.gz AZGUTHXOGQPLSO-UHFFFAOYSA-N 1 0 394.441 4.172 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@H](C)c2cccc(Cl)c2)c1 ZINC000121385117 823174968 /nfs/dbraw/zinc/17/49/68/823174968.db2.gz FLKCWLVOMWUABR-UONOGXRCSA-N 1 0 376.884 4.425 20 0 GIADRO C[N@@H+]1CCC[C@H](CCNC(=O)Nc2cccc(CSc3ccccn3)c2)C1 ZINC000459371753 823175109 /nfs/dbraw/zinc/17/51/09/823175109.db2.gz IQURPTPNHRXQMV-QGZVFWFLSA-N 1 0 384.549 4.227 20 0 GIADRO COc1ncc(CN2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1Cl ZINC000571382864 823175513 /nfs/dbraw/zinc/17/55/13/823175513.db2.gz GJFAVIAHWRWFPC-UHFFFAOYSA-N 1 0 385.939 4.232 20 0 GIADRO CCCC[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(-c3cccnc3)cc2)CC1 ZINC000176297148 823175619 /nfs/dbraw/zinc/17/56/19/823175619.db2.gz QASNWMNSHMRDOI-SFHVURJKSA-N 1 0 380.536 4.373 20 0 GIADRO CCOc1cccc2cc([C@H](C)NC(=O)N3CCCC[C@@H]3[C@@H]3CCC[NH2+]C3)oc21 ZINC000571387722 823176222 /nfs/dbraw/zinc/17/62/22/823176222.db2.gz ZSWDAOBAELBWCM-QXAKKESOSA-N 1 0 399.535 4.456 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000459377532 823176892 /nfs/dbraw/zinc/17/68/92/823176892.db2.gz OZWDVZYIYUAFNU-IBGZPJMESA-N 1 0 381.568 4.224 20 0 GIADRO O=c1cc(C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)nc(-c2ccccc2)[nH]1 ZINC000459380105 823177834 /nfs/dbraw/zinc/17/78/34/823177834.db2.gz ASVQHJDYOXIKGX-DYESRHJHSA-N 1 0 375.472 4.107 20 0 GIADRO CCOc1cc(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)ccc1OC ZINC000176308235 823178135 /nfs/dbraw/zinc/17/81/35/823178135.db2.gz NEPJJSRIQAAJDO-UHFFFAOYSA-N 1 0 375.513 4.013 20 0 GIADRO CN(CC1([NH+](C)C)CCC1)C(=O)Cc1csc(-c2ccc(Cl)s2)n1 ZINC000188054138 823178462 /nfs/dbraw/zinc/17/84/62/823178462.db2.gz BPZNJFXCMZRKET-UHFFFAOYSA-N 1 0 383.970 4.010 20 0 GIADRO c1nc2ccccc2n1CC[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459386238 823179842 /nfs/dbraw/zinc/17/98/42/823179842.db2.gz AYFBGFMZCQCEIX-UHFFFAOYSA-N 1 0 386.503 4.200 20 0 GIADRO CCn1nncc1C[NH2+][C@](C)(Cc1cccc(Br)c1)c1ccccc1 ZINC000459387788 823180305 /nfs/dbraw/zinc/18/03/05/823180305.db2.gz NSYAVYHDIFANGM-HXUWFJFHSA-N 1 0 399.336 4.308 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+]Cc2cc(=O)[nH]c(-c3ccccc3)n2)cc1OC ZINC000459392661 823181692 /nfs/dbraw/zinc/18/16/92/823181692.db2.gz LYHLTMFKXIBSDM-HNNXBMFYSA-N 1 0 379.460 4.107 20 0 GIADRO COc1cc(C)c([C@@H](C)[NH2+]Cc2cc(=O)[nH]c(-c3ccccc3)n2)cc1OC ZINC000459393205 823181737 /nfs/dbraw/zinc/18/17/37/823181737.db2.gz MJZCKSVMOJZLPA-OAHLLOKOSA-N 1 0 379.460 4.026 20 0 GIADRO COC[C@H]([NH2+]Cc1ccccc1COc1ccccc1Cl)C1CCOCC1 ZINC000188071887 823181933 /nfs/dbraw/zinc/18/19/33/823181933.db2.gz MEOQAFFBUHVKKX-NRFANRHFSA-N 1 0 389.923 4.450 20 0 GIADRO Fc1ccc(OCC[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)cc1 ZINC000459393787 823182019 /nfs/dbraw/zinc/18/20/19/823182019.db2.gz SIDUDFXGQCDSBN-UHFFFAOYSA-N 1 0 380.467 4.368 20 0 GIADRO Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000056618567 823182161 /nfs/dbraw/zinc/18/21/61/823182161.db2.gz PVZUSQZKQMQLDD-SFHVURJKSA-N 1 0 394.519 4.243 20 0 GIADRO CC[C@@H](C)[NH2+][C@H](CNC(=O)c1ccc(Br)c(F)c1)c1ccco1 ZINC000571434752 823182248 /nfs/dbraw/zinc/18/22/48/823182248.db2.gz JHSFADGEKSYZOT-IAQYHMDHSA-N 1 0 383.261 4.040 20 0 GIADRO CCCOc1ccc(C[NH2+]Cc2cc(Br)c(O)c(OCC)c2)cn1 ZINC000459396402 823182473 /nfs/dbraw/zinc/18/24/73/823182473.db2.gz VZNFYVAMDPZWJH-UHFFFAOYSA-N 1 0 395.297 4.027 20 0 GIADRO C[C@@H]([NH2+]CCc1cncn1C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000459396673 823182841 /nfs/dbraw/zinc/18/28/41/823182841.db2.gz CPJAFXFRUCBUSD-GFCCVEGCSA-N 1 0 391.338 4.199 20 0 GIADRO O=C(CC[N@H+](Cc1ccccc1)C[C@@H](O)c1ccsc1)Nc1ccccc1F ZINC000176327605 823182837 /nfs/dbraw/zinc/18/28/37/823182837.db2.gz RBWCWQBKWRRJSR-OAQYLSRUSA-N 1 0 398.503 4.452 20 0 GIADRO Cc1ccc(NC(=O)CCOc2ccc3ccccc3c2)c(OCC[NH+](C)C)c1 ZINC000571448050 823183870 /nfs/dbraw/zinc/18/38/70/823183870.db2.gz PGVGXXDQIWJNPM-UHFFFAOYSA-N 1 0 392.499 4.496 20 0 GIADRO CC(C)n1cnnc1-c1ccccc1NC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000176336754 823185876 /nfs/dbraw/zinc/18/58/76/823185876.db2.gz LRIUZHCMVWFVNE-QGZVFWFLSA-N 1 0 398.536 4.012 20 0 GIADRO CC1(C)C(=O)N[C@H]1C1CC[NH+](CC/C=C/c2ccc(Br)cc2)CC1 ZINC000571460991 823186039 /nfs/dbraw/zinc/18/60/39/823186039.db2.gz BPWPDULFKNGUDD-YZTRRJNXSA-N 1 0 391.353 4.089 20 0 GIADRO CC1(C)C(=O)N[C@@H]1C1CC[NH+](CC/C=C\c2ccc(Br)cc2)CC1 ZINC000571460988 823186115 /nfs/dbraw/zinc/18/61/15/823186115.db2.gz BPWPDULFKNGUDD-LKIHTYOGSA-N 1 0 391.353 4.089 20 0 GIADRO C[C@H](NC(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)c1ccc(Cl)cc1 ZINC000121461676 823189056 /nfs/dbraw/zinc/18/90/56/823189056.db2.gz ABSCUYDQVMVKLL-INIZCTEOSA-N 1 0 399.922 4.142 20 0 GIADRO C[C@H]([NH2+]CCCN1CCCC1=O)c1ccc(Br)cc1C(F)(F)F ZINC000188101545 823186651 /nfs/dbraw/zinc/18/66/51/823186651.db2.gz CATGDGYSLZSLOV-NSHDSACASA-N 1 0 393.247 4.131 20 0 GIADRO CC(C)NC(=O)CC[NH2+][C@H](c1ccccc1)c1ccc(Br)cc1 ZINC000188115960 823188872 /nfs/dbraw/zinc/18/88/72/823188872.db2.gz WRIMQDSBOIONLS-LJQANCHMSA-N 1 0 375.310 4.043 20 0 GIADRO COc1cc(F)c([C@@H](C)NCc2cccc(O)c2Br)cc1OC ZINC000459421336 823188899 /nfs/dbraw/zinc/18/88/99/823188899.db2.gz YSKQTYYBALITRK-SNVBAGLBSA-N 1 0 384.245 4.162 20 0 GIADRO C[N@@H+]1CCC[C@H](CCNC(=O)Nc2cc(F)ccc2SCC(F)F)C1 ZINC000459418424 823188210 /nfs/dbraw/zinc/18/82/10/823188210.db2.gz ADDUBCUPKZLFRF-GFCCVEGCSA-N 1 0 375.460 4.036 20 0 GIADRO CCN(Cc1ccccc1NCc1ccc(OCC[NH+]2CCCC2)cc1)C(C)=O ZINC000121470539 823190683 /nfs/dbraw/zinc/19/06/83/823190683.db2.gz NTXCXHSFHAUPFJ-UHFFFAOYSA-N 1 0 395.547 4.142 20 0 GIADRO CCOc1cc(C[NH2+]C[C@H](OC)c2ccc(F)cc2)cc(Br)c1O ZINC000459433440 823191326 /nfs/dbraw/zinc/19/13/26/823191326.db2.gz UNRRFBDWMZOOCY-KRWDZBQOSA-N 1 0 398.272 4.170 20 0 GIADRO Cc1nccn1-c1ccc(C[NH2+][C@@H](C)Cc2ccc(Br)cc2)cn1 ZINC000188134451 823191657 /nfs/dbraw/zinc/19/16/57/823191657.db2.gz OGWKAYIZQQOFDR-AWEZNQCLSA-N 1 0 385.309 4.059 20 0 GIADRO C[NH+](C)CCN(Cc1cccs1)C(=O)N[C@@H](c1ccco1)c1ccccc1 ZINC000176366382 823192149 /nfs/dbraw/zinc/19/21/49/823192149.db2.gz HBSQEELRPMEVEE-HXUWFJFHSA-N 1 0 383.517 4.204 20 0 GIADRO C[C@H](CN1CCCC1=O)[NH2+][C@H](c1ccccc1)c1ccc(Br)cc1 ZINC000188140522 823192565 /nfs/dbraw/zinc/19/25/65/823192565.db2.gz GRAUZSWIGAJNPU-FOIQADDNSA-N 1 0 387.321 4.139 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNCc2cccc(O)c2Br)[C@@H]1c1cccs1 ZINC000459441447 823192718 /nfs/dbraw/zinc/19/27/18/823192718.db2.gz VZSLTQWYRVNUCI-KBXCAEBGSA-N 1 0 395.366 4.389 20 0 GIADRO O=C(Nc1cccc(-c2ccc3c(c2)CCO3)c1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000571503976 823193362 /nfs/dbraw/zinc/19/33/62/823193362.db2.gz KIFLQOSIVRQGBR-NRFANRHFSA-N 1 0 391.515 4.142 20 0 GIADRO CCOc1cc(C[NH2+]Cc2ccc(C)cc2O[C@@H]2CCOC2)cc(Cl)c1O ZINC000459445336 823193578 /nfs/dbraw/zinc/19/35/78/823193578.db2.gz SHYPOMZWSRRMGZ-QGZVFWFLSA-N 1 0 391.895 4.210 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCN(C(=O)C3CCCCC3)C1)CCCS2 ZINC000188151462 823194538 /nfs/dbraw/zinc/19/45/38/823194538.db2.gz ZUMGSWZURAOCPJ-FXAWDEMLSA-N 1 0 388.577 4.393 20 0 GIADRO COc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCN(C(=O)C3CCCCC3)C1)CCCS2 ZINC000188151486 823194595 /nfs/dbraw/zinc/19/45/95/823194595.db2.gz ZUMGSWZURAOCPJ-PXNSSMCTSA-N 1 0 388.577 4.393 20 0 GIADRO CC(=O)Nc1ccc(Cl)c(NC(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)c1 ZINC000056692695 823194752 /nfs/dbraw/zinc/19/47/52/823194752.db2.gz IUNOHXRCPQDNHK-LJQANCHMSA-N 1 0 394.947 4.176 20 0 GIADRO Cc1cccc([C@@H]([NH2+]C[C@@H](O)COCc2ccccc2Cl)c2ccccn2)c1 ZINC000571515755 823194851 /nfs/dbraw/zinc/19/48/51/823194851.db2.gz ALXQAQWWLSSCLO-NFBKMPQASA-N 1 0 396.918 4.300 20 0 GIADRO COc1cc(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)cc(Cl)c1OCCC(C)C ZINC000571514994 823194878 /nfs/dbraw/zinc/19/48/78/823194878.db2.gz IJYXZHGWPRFMFN-ZBFHGGJFSA-N 1 0 382.932 4.021 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C[C@H](C)O)c2ccccc2)[C@H]1Sc1ccccc1 ZINC000459453538 823195106 /nfs/dbraw/zinc/19/51/06/823195106.db2.gz XMZSZUYNSDDXRF-YZMLUHFISA-N 1 0 385.573 4.469 20 0 GIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccccc2Oc2ccncc2)C1 ZINC000571532055 823196814 /nfs/dbraw/zinc/19/68/14/823196814.db2.gz PLWTUIMUDOUXPB-AZUAARDMSA-N 1 0 387.483 4.439 20 0 GIADRO C[S@@](=O)Cc1ccc(C[NH2+][C@H]2CCCc3cc(Br)ccc32)cc1 ZINC000571531703 823196867 /nfs/dbraw/zinc/19/68/67/823196867.db2.gz PQZCJOAZCOOJTM-WMZHIEFXSA-N 1 0 392.362 4.495 20 0 GIADRO CC[C@H](C)n1c2ccc(NC(=O)N[C@@H]3CC[C@@H](C[NH3+])C3)cc2nc1C(F)(F)F ZINC000571533467 823197198 /nfs/dbraw/zinc/19/71/98/823197198.db2.gz KXIAWQGGGZDFCB-YNEHKIRRSA-N 1 0 397.445 4.275 20 0 GIADRO C[C@H]1C[C@@H](CCNC(=O)Nc2ccc3c(c2)CCN3)C[N@@H+]1Cc1ccccc1 ZINC000571533636 823197263 /nfs/dbraw/zinc/19/72/63/823197263.db2.gz AJCFDCRZTZCQBX-PKOBYXMFSA-N 1 0 378.520 4.077 20 0 GIADRO C[C@@H]([NH2+]CCCc1cnn(C)c1)c1ccc(Br)cc1C(F)(F)F ZINC000188174587 823197802 /nfs/dbraw/zinc/19/78/02/823197802.db2.gz DOLPBVSAOCZONW-LLVKDONJSA-N 1 0 390.247 4.485 20 0 GIADRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](c1ccccc1)c1ccc(Br)cc1)CC2 ZINC000188175924 823198111 /nfs/dbraw/zinc/19/81/11/823198111.db2.gz ROOPZEJEFNKCCR-QUCCMNQESA-N 1 0 397.320 4.043 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)Nc2cc(F)c(OC)c(F)c2)cc1 ZINC000056717973 823199144 /nfs/dbraw/zinc/19/91/44/823199144.db2.gz KTUZTQIQICXJIJ-UHFFFAOYSA-N 1 0 377.435 4.137 20 0 GIADRO CC(C)N1CC[C@H]([NH2+]C2CCN(C3CC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000459471461 823199216 /nfs/dbraw/zinc/19/92/16/823199216.db2.gz TZLSLNKGXBACDU-SFTDATJTSA-N 1 0 379.951 4.219 20 0 GIADRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1cccs1)c1cccc(OC(F)F)c1 ZINC000176401449 823200304 /nfs/dbraw/zinc/20/03/04/823200304.db2.gz OILQVHOIWCADIE-AWEZNQCLSA-N 1 0 397.491 4.184 20 0 GIADRO CC(C)Oc1cccc([C@@H](C)NC(=O)N(CC[NH+](C)C)Cc2cccs2)c1 ZINC000176402180 823200536 /nfs/dbraw/zinc/20/05/36/823200536.db2.gz YCWKEGIOIXJZGY-QGZVFWFLSA-N 1 0 389.565 4.370 20 0 GIADRO C[C@@H]1CN(c2ccccc2C[NH+]2CCC3(CC2)OCCc2ccsc23)CCO1 ZINC000459481073 823201409 /nfs/dbraw/zinc/20/14/09/823201409.db2.gz MQXVVWGQVQFEDN-GOSISDBHSA-N 1 0 398.572 4.037 20 0 GIADRO CCOc1ccc(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1F ZINC000056703192 823196097 /nfs/dbraw/zinc/19/60/97/823196097.db2.gz JXRHBGBYFVHPAC-KRWDZBQOSA-N 1 0 375.444 4.166 20 0 GIADRO CCC[N@@H+]1CC[C@@H](CNC(=O)NC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000056729707 823201565 /nfs/dbraw/zinc/20/15/65/823201565.db2.gz VOTXWMVZXOWWFY-INIZCTEOSA-N 1 0 387.474 4.085 20 0 GIADRO C[C@@H]1CN(c2ccccc2C[N@H+](C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)CCO1 ZINC000459482247 823201762 /nfs/dbraw/zinc/20/17/62/823201762.db2.gz LNULBVHDTJUIGZ-XANCMCCPSA-N 1 0 398.522 4.403 20 0 GIADRO Cc1ccc(C[N@H+](CCO)Cc2cn(C3CCCC3)nc2-c2ccccn2)cc1 ZINC000459485862 823202283 /nfs/dbraw/zinc/20/22/83/823202283.db2.gz RESZFTZUNZLDHU-UHFFFAOYSA-N 1 0 390.531 4.363 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1)c1nnc(-c2ccccc2)o1 ZINC000571572916 823202464 /nfs/dbraw/zinc/20/24/64/823202464.db2.gz KDQDCPZLCKEBEF-MJXNMMHHSA-N 1 0 384.430 4.111 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1CN(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000459491235 823203195 /nfs/dbraw/zinc/20/31/95/823203195.db2.gz URHNLYZJMBCNJS-RXVVDRJESA-N 1 0 395.576 4.101 20 0 GIADRO C[NH+](C)C[C@H]1CCCCN1C(=O)c1ccc2c(ccn2Cc2ccccc2)c1 ZINC000571584397 823204111 /nfs/dbraw/zinc/20/41/11/823204111.db2.gz DGCAWFUHYADUPZ-JOCHJYFZSA-N 1 0 375.516 4.246 20 0 GIADRO C[C@H](Nc1cccc(CC[N@H+](C)C2CC2)c1)C(=O)N1c2ccccc2C[C@H]1C ZINC000571589462 823204398 /nfs/dbraw/zinc/20/43/98/823204398.db2.gz JANPMKGLCBSILX-MSOLQXFVSA-N 1 0 377.532 4.102 20 0 GIADRO CSC[C@@H](CCO)[NH2+][C@@H](C)c1ccc(Br)cc1C(F)(F)F ZINC000188216915 823204778 /nfs/dbraw/zinc/20/47/78/823204778.db2.gz PHCYZPXIPPVJTN-GXSJLCMTSA-N 1 0 386.277 4.233 20 0 GIADRO COc1ccc(F)cc1C[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459497837 823204870 /nfs/dbraw/zinc/20/48/70/823204870.db2.gz KAWWHFWRIKOLGB-UHFFFAOYSA-N 1 0 380.467 4.498 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)Nc1cccc(N2CCCCC2)c1 ZINC000056742339 823205018 /nfs/dbraw/zinc/20/50/18/823205018.db2.gz UWCLBZBXHFRGMR-UHFFFAOYSA-N 1 0 398.526 4.412 20 0 GIADRO CS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(C3CC3)cc2)cc1C(F)(F)F ZINC000459500351 823205221 /nfs/dbraw/zinc/20/52/21/823205221.db2.gz AXEVUVDYKOGCGU-UHFFFAOYSA-N 1 0 383.435 4.276 20 0 GIADRO C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+](C)CCc1ccncc1 ZINC000121557700 823205378 /nfs/dbraw/zinc/20/53/78/823205378.db2.gz QXQRLDYHJKUIJL-GFCCVEGCSA-N 1 0 385.817 4.255 20 0 GIADRO CCOC(=O)c1csc(C2CC[NH+](CCc3cccc(Cl)c3)CC2)n1 ZINC000459508216 823206961 /nfs/dbraw/zinc/20/69/61/823206961.db2.gz MNJSDHDDDTTXEX-UHFFFAOYSA-N 1 0 378.925 4.395 20 0 GIADRO CC(C)(C)OC(=O)CCc1cccc(NC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000459514673 823208574 /nfs/dbraw/zinc/20/85/74/823208574.db2.gz AVQFFEQTNZAXEF-UHFFFAOYSA-N 1 0 381.520 4.437 20 0 GIADRO Fc1ccc2c(c1)onc2C1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000459515037 823208868 /nfs/dbraw/zinc/20/88/68/823208868.db2.gz DCOIZBVALHAYFF-HXUWFJFHSA-N 1 0 379.479 4.421 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N1CCC[C@@H]1c1ccncc1 ZINC000056764306 823208998 /nfs/dbraw/zinc/20/89/98/823208998.db2.gz QOVLWLSAENEFEL-JOCHJYFZSA-N 1 0 378.520 4.479 20 0 GIADRO C[C@H](NC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)c1nc2ccccc2[nH]1 ZINC000056764369 823209034 /nfs/dbraw/zinc/20/90/34/823209034.db2.gz KXUVVVUEXSKLRD-KRWDZBQOSA-N 1 0 391.519 4.474 20 0 GIADRO Cc1cc(N2CCC([NH2+][C@H](Cc3cccnc3)c3cccc(Cl)c3)CC2)n[nH]1 ZINC000571616611 823209772 /nfs/dbraw/zinc/20/97/72/823209772.db2.gz KCYMWZKLWNWRCS-OAQYLSRUSA-N 1 0 395.938 4.309 20 0 GIADRO Brc1ccc2c(c1)[C@H]([NH2+]Cc1cccnc1-n1cccn1)CCCO2 ZINC000177902473 823543957 /nfs/dbraw/zinc/54/39/57/823543957.db2.gz OTGAEXSQPKQEQS-QGZVFWFLSA-N 1 0 399.292 4.033 20 0 GIADRO COc1ccc(-c2ccccc2C)cc1C[N@@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000459523836 823210942 /nfs/dbraw/zinc/21/09/42/823210942.db2.gz VSQZATBBSMUBOM-UHFFFAOYSA-N 1 0 378.516 4.115 20 0 GIADRO Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000571624450 823211049 /nfs/dbraw/zinc/21/10/49/823211049.db2.gz SJFCQNFFCCNJIR-AWEZNQCLSA-N 1 0 388.537 4.282 20 0 GIADRO C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@H+](C)CCc1ccncc1 ZINC000121587449 823211707 /nfs/dbraw/zinc/21/17/07/823211707.db2.gz JBQYJGBWRHYPNR-ZDUSSCGKSA-N 1 0 376.382 4.386 20 0 GIADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1cc(-c2ccccc2Cl)n(-c2ccccc2)n1 ZINC000571634194 823212573 /nfs/dbraw/zinc/21/25/73/823212573.db2.gz WKYSHXBODWYUAK-CVEARBPZSA-N 1 0 394.906 4.002 20 0 GIADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)NCc2ccc(C(F)(F)F)cc2)CC1 ZINC000121593231 823212785 /nfs/dbraw/zinc/21/27/85/823212785.db2.gz IWFQANNHUJMNQJ-UHFFFAOYSA-N 1 0 395.425 4.104 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)Nc1ccc(-c2csnn2)cc1 ZINC000056786537 823213137 /nfs/dbraw/zinc/21/31/37/823213137.db2.gz LCNFPRIQPALSSO-GOSISDBHSA-N 1 0 397.504 4.147 20 0 GIADRO Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000459532563 823213283 /nfs/dbraw/zinc/21/32/83/823213283.db2.gz UKCGCUFQYBLTRI-WOJBJXKFSA-N 1 0 392.543 4.125 20 0 GIADRO COc1ccc(C[C@H](C)C[NH2+][C@H](c2ncc[nH]2)c2ccc(F)cc2)cc1OC ZINC000188285802 823214467 /nfs/dbraw/zinc/21/44/67/823214467.db2.gz RGDICGUVDLCIIM-BTYIYWSLSA-N 1 0 383.467 4.124 20 0 GIADRO C[C@@H](CCNC(=O)Nc1ccc(-c2nncs2)cc1)[N@H+](C)Cc1ccccc1 ZINC000459536619 823214493 /nfs/dbraw/zinc/21/44/93/823214493.db2.gz QJGKCRBTOGUSRK-INIZCTEOSA-N 1 0 395.532 4.237 20 0 GIADRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)Nc2ccc(-c3nncs3)cc2)C1 ZINC000459538724 823215246 /nfs/dbraw/zinc/21/52/46/823215246.db2.gz DWOHOWICZOUYAQ-HOTGVXAUSA-N 1 0 387.553 4.085 20 0 GIADRO COc1ccccc1-c1ccc(C[NH2+][C@H]2CCCN(CC(F)(F)F)C2=O)cc1 ZINC000121611314 823215714 /nfs/dbraw/zinc/21/57/14/823215714.db2.gz ZLQYSNIEZLWWMT-SFHVURJKSA-N 1 0 392.421 4.005 20 0 GIADRO C[C@H]1C[C@@H](NC(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)C[N@@H+]1C1CC1 ZINC000188301175 823216467 /nfs/dbraw/zinc/21/64/67/823216467.db2.gz FCRFJYSDNFDCOK-QWHCGFSZSA-N 1 0 394.393 4.200 20 0 GIADRO CC(C)[C@H]([NH2+]C/C=C\c1ccc(OCc2ccccc2)cc1)c1nncn1C ZINC000459543784 823216701 /nfs/dbraw/zinc/21/67/01/823216701.db2.gz MLRXTTSONOPNSN-LWAZDOKKSA-N 1 0 376.504 4.394 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1ccc(Br)cc1C(F)(F)F ZINC000188308485 823217666 /nfs/dbraw/zinc/21/76/66/823217666.db2.gz VAOUYRUZSDACMZ-JOYOIKCWSA-N 1 0 388.231 4.399 20 0 GIADRO CCN(CCC[NH+]1CCCC1)Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459555506 823219439 /nfs/dbraw/zinc/21/94/39/823219439.db2.gz GCBMPJMAJGKKNE-UHFFFAOYSA-N 1 0 381.568 4.368 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@H](C)c2ccc(OCc3nccn3C)cc2)c1 ZINC000121637006 823220162 /nfs/dbraw/zinc/22/01/62/823220162.db2.gz BPXURVJQPVOAQG-IAGOWNOFSA-N 1 0 392.503 4.369 20 0 GIADRO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176501810 823223007 /nfs/dbraw/zinc/22/30/07/823223007.db2.gz LOZJSTLXMJOBKD-HNNXBMFYSA-N 1 0 379.495 4.464 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@@H](C)c2ccc(Cl)cc2)c1 ZINC000121642398 823221166 /nfs/dbraw/zinc/22/11/66/823221166.db2.gz AYPLRJHYDDXZKT-KBPBESRZSA-N 1 0 376.884 4.425 20 0 GIADRO CN(Cc1cccc(F)c1)C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000571699264 823221314 /nfs/dbraw/zinc/22/13/14/823221314.db2.gz PRAXONOCOPECGL-OAQYLSRUSA-N 1 0 383.511 4.269 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1C[NH2+][C@H](CCO)c1ccc(Cl)cc1 ZINC000459565928 823221436 /nfs/dbraw/zinc/22/14/36/823221436.db2.gz UBCWUDQEABNVJO-MRXNPFEDSA-N 1 0 375.925 4.448 20 0 GIADRO O=C1CCCN1[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(OCc3ccccc3)c2)C1 ZINC000571703227 823221517 /nfs/dbraw/zinc/22/15/17/823221517.db2.gz ZNJVMZJYPOWNON-FGZHOGPDSA-N 1 0 378.516 4.289 20 0 GIADRO [NH3+][C@H]1CCc2ncc(NC(=O)c3cc(C4CC4)nc4ccc(Cl)cc43)cc2C1 ZINC000571688069 823219175 /nfs/dbraw/zinc/21/91/75/823219175.db2.gz LXOBBCVADBIOTM-HNNXBMFYSA-N 1 0 392.890 4.229 20 0 GIADRO O[C@H](C[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1)COc1ccc2ccccc2c1 ZINC000571737033 823228027 /nfs/dbraw/zinc/22/80/27/823228027.db2.gz PLCVBOYWJKKTHS-AKIFATBCSA-N 1 0 397.902 4.353 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccn(-c3cccc(Cl)c3)n2)C1 ZINC000409460485 823224301 /nfs/dbraw/zinc/22/43/01/823224301.db2.gz SXJZVLGIAURUNB-VQIMIIECSA-N 1 0 394.906 4.091 20 0 GIADRO CCOc1cc(C[NH2+]C[C@@H]2CCO[C@@H](C(C)C)C2)cc(Br)c1O ZINC000459580309 823224795 /nfs/dbraw/zinc/22/47/95/823224795.db2.gz PBCLRHSPQXOFNN-CZUORRHYSA-N 1 0 386.330 4.094 20 0 GIADRO C[C@@H](c1ccc(S(C)(=O)=O)cc1)N1CCC([NH2+]C2CC(C(C)(C)C)C2)CC1 ZINC000459582454 823224964 /nfs/dbraw/zinc/22/49/64/823224964.db2.gz RQBVKBIHVVZXKA-VQSBYGRUSA-N 1 0 392.609 4.030 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(C)(C)c1ccccc1Br ZINC000409462713 823225184 /nfs/dbraw/zinc/22/51/84/823225184.db2.gz HMOHLTJMUPSACB-MRXNPFEDSA-N 1 0 395.385 4.498 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000409462212 823225254 /nfs/dbraw/zinc/22/52/54/823225254.db2.gz DMDMDGSJPXPHDU-MDYRTPRTSA-N 1 0 396.934 4.328 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CCCNC(=O)[C@H]2CC=CCC2)cc1 ZINC000409463165 823225433 /nfs/dbraw/zinc/22/54/33/823225433.db2.gz CZRQOXKMCOEXOE-FPOVZHCZSA-N 1 0 397.563 4.252 20 0 GIADRO CC(C)Oc1cccc([C@@H](C)NC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000056867073 823225712 /nfs/dbraw/zinc/22/57/12/823225712.db2.gz BGCPDMVZHCVYDO-GOSISDBHSA-N 1 0 375.557 4.297 20 0 GIADRO CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1)c1ccccc1OC ZINC000056867536 823225980 /nfs/dbraw/zinc/22/59/80/823225980.db2.gz PBQTXLGEIJRDHX-HXUWFJFHSA-N 1 0 387.499 4.059 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)[C@]23CCC(=O)N2c2ccccc2S3)cc1 ZINC000188362595 823226218 /nfs/dbraw/zinc/22/62/18/823226218.db2.gz OUXFXZZFAIPVKR-JOCHJYFZSA-N 1 0 395.528 4.096 20 0 GIADRO Cc1ccc(Cn2cc(C[NH+]3CC(CCO)C3)c(-c3ccc(C)cc3)n2)cc1 ZINC000459594577 823226669 /nfs/dbraw/zinc/22/66/69/823226669.db2.gz QGHKTQLWECXAQE-UHFFFAOYSA-N 1 0 375.516 4.029 20 0 GIADRO Cc1ccc(-c2nn(Cc3ccccc3)cc2C[NH+]2CC(CCO)C2)cc1C ZINC000459594605 823226825 /nfs/dbraw/zinc/22/68/25/823226825.db2.gz QKMCJHVAZUTWSS-UHFFFAOYSA-N 1 0 375.516 4.029 20 0 GIADRO CCC[N@H+](CC)Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1 ZINC000409471253 823228347 /nfs/dbraw/zinc/22/83/47/823228347.db2.gz QGPSOXDTZYWLLN-UHFFFAOYSA-N 1 0 393.531 4.407 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NCc2noc(C(C)(C)C)n2)CC1 ZINC000571733977 823227415 /nfs/dbraw/zinc/22/74/15/823227415.db2.gz OSTAELGSQSGRJE-UHFFFAOYSA-N 1 0 378.904 4.106 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+][C@H](C)c2ccc(-n3cncn3)cc2Cl)c1 ZINC000121681476 823229448 /nfs/dbraw/zinc/22/94/48/823229448.db2.gz MNUSMAKLDHQYMQ-UONOGXRCSA-N 1 0 383.883 4.291 20 0 GIADRO CC(C)(O)C1C[NH+](Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)C1 ZINC000459616093 823230219 /nfs/dbraw/zinc/23/02/19/823230219.db2.gz XZQWMQODDOSGBW-UHFFFAOYSA-N 1 0 381.907 4.395 20 0 GIADRO CC(C)[C@H](NCc1nnc(C2CC[NH2+]CC2)[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000571755339 823230529 /nfs/dbraw/zinc/23/05/29/823230529.db2.gz YIJZJXCPSVUBFP-KRWDZBQOSA-N 1 0 382.339 4.065 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)N[C@H](c2ccc(OC)cc2)C2CC2)CC1 ZINC000121698856 823232927 /nfs/dbraw/zinc/23/29/27/823232927.db2.gz MSYINXFMBPCEBJ-QFIPXVFZSA-N 1 0 387.568 4.300 20 0 GIADRO CC(C)[C@@H](NCc1nnc(C2CC[NH2+]CC2)[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000571755340 823230677 /nfs/dbraw/zinc/23/06/77/823230677.db2.gz YIJZJXCPSVUBFP-QGZVFWFLSA-N 1 0 382.339 4.065 20 0 GIADRO C[C@@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1nc(-c2ccccc2)cs1 ZINC000176541724 823232958 /nfs/dbraw/zinc/23/29/58/823232958.db2.gz VGLCEPRNDAVDNO-CCNLRDMRSA-N 1 0 384.549 4.186 20 0 GIADRO Cc1nccn1-c1ccc(CNC(=O)C[C@@H]2CCCc3ccccc32)cc1F ZINC000409482081 823231161 /nfs/dbraw/zinc/23/11/61/823231161.db2.gz CPXLZJGQLASDKE-IBGZPJMESA-N 1 0 377.463 4.446 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1cncc(F)c1)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000459624245 823231573 /nfs/dbraw/zinc/23/15/73/823231573.db2.gz SLEPMCMHRFWPOJ-SRVKXCTJSA-N 1 0 384.282 4.444 20 0 GIADRO Cc1cc(C(=O)NCC2CC[NH+](CCC(C)C)CC2)c(C)n1Cc1ccccn1 ZINC000176540532 823232460 /nfs/dbraw/zinc/23/24/60/823232460.db2.gz RIWDJWFZWYGVBC-UHFFFAOYSA-N 1 0 396.579 4.036 20 0 GIADRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1cccs1)c1ncc(-c2ccccc2)o1 ZINC000176540842 823232546 /nfs/dbraw/zinc/23/25/46/823232546.db2.gz VNBHZUZYYFVMKE-INIZCTEOSA-N 1 0 398.532 4.238 20 0 GIADRO C[C@@H](CCCc1cccnc1)[NH2+][C@@H](C)C(=O)Nc1ccccc1Br ZINC000459633198 823233804 /nfs/dbraw/zinc/23/38/04/823233804.db2.gz DPAAGBSMHQRBBZ-GJZGRUSLSA-N 1 0 390.325 4.172 20 0 GIADRO Clc1cccc(-c2nnc(C[N@@H+]3C[C@H](c4ccccc4)[C@@H]4COCC[C@@H]43)o2)c1 ZINC000571785181 823233940 /nfs/dbraw/zinc/23/39/40/823233940.db2.gz IODBZNZAVSKCRY-AABGKKOBSA-N 1 0 395.890 4.395 20 0 GIADRO CC(C)c1ccc2occ(C(=O)NCC3([NH+]4CCCCC4)CCOCC3)c2c1 ZINC000571787869 823234351 /nfs/dbraw/zinc/23/43/51/823234351.db2.gz YXGPMJWLHTXYHB-UHFFFAOYSA-N 1 0 384.520 4.321 20 0 GIADRO Cc1cnc([C@@H](C)NC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)s1 ZINC000176562061 823237494 /nfs/dbraw/zinc/23/74/94/823237494.db2.gz BMPVFRDZIJYFPU-CQSZACIVSA-N 1 0 392.956 4.130 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl)c1nc2c(s1)CCC2 ZINC000459636111 823234814 /nfs/dbraw/zinc/23/48/14/823234814.db2.gz PYKITPFEGNMYJW-CMPLNLGQSA-N 1 0 387.332 4.029 20 0 GIADRO COc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c(C)c1OC ZINC000459642316 823235891 /nfs/dbraw/zinc/23/58/91/823235891.db2.gz BKWHXUKGYBLQAK-QGZVFWFLSA-N 1 0 387.442 4.193 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH2+][C@H](C)CCCc1cccnc1 ZINC000459643270 823236213 /nfs/dbraw/zinc/23/62/13/823236213.db2.gz OBHQMDYXZSTUIT-HUUCEWRRSA-N 1 0 375.900 4.072 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+][C@@H](C)CCCc1cccnc1 ZINC000459643269 823236436 /nfs/dbraw/zinc/23/64/36/823236436.db2.gz OBHQMDYXZSTUIT-GJZGRUSLSA-N 1 0 375.900 4.072 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)CCCc1cccnc1)C(=O)Nc1nc2ccc(F)cc2s1 ZINC000459645286 823237045 /nfs/dbraw/zinc/23/70/45/823237045.db2.gz QKZUYBLTZZHVQB-UONOGXRCSA-N 1 0 386.496 4.158 20 0 GIADRO C[C@@H](C[NH2+]CC(=O)Nc1ccc(F)c(F)c1F)c1ccc(C(F)(F)F)cc1 ZINC000571807397 823237207 /nfs/dbraw/zinc/23/72/07/823237207.db2.gz JGDQUFSDJGGSOP-JTQLQIEISA-N 1 0 390.327 4.455 20 0 GIADRO Cc1ccccc1-n1nccc1C[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459646954 823237783 /nfs/dbraw/zinc/23/77/83/823237783.db2.gz IZUPIQSGGDHXTA-IBGZPJMESA-N 1 0 393.453 4.362 20 0 GIADRO CC[NH+](CC)[C@H](C(=O)NCC(C)(C)C[C@H](C)O)c1cccc(C(F)(F)F)c1 ZINC000121727098 823237987 /nfs/dbraw/zinc/23/79/87/823237987.db2.gz OZSOATDAVPZQDB-YOEHRIQHSA-N 1 0 388.474 4.002 20 0 GIADRO COc1ccc(NC(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cc1SC ZINC000459647553 823238124 /nfs/dbraw/zinc/23/81/24/823238124.db2.gz ABWZKEFRTLMQFM-CRAIPNDOSA-N 1 0 385.533 4.374 20 0 GIADRO CC[C@H](C(=O)Nc1cccc(C(=O)NC(C)(C)C)c1)[N@H+](C)Cc1ccccc1 ZINC000571812909 823238443 /nfs/dbraw/zinc/23/84/43/823238443.db2.gz SIJCOVRHPKLQMT-HXUWFJFHSA-N 1 0 381.520 4.064 20 0 GIADRO O=C(NCCCCC[NH+]1CCCCC1)N[C@@H]1c2ccccc2CC12CCOCC2 ZINC000571817525 823239304 /nfs/dbraw/zinc/23/93/04/823239304.db2.gz YPQMWTWDJJVGSU-JOCHJYFZSA-N 1 0 399.579 4.036 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@@H](C)CCCc1cccnc1 ZINC000459652045 823239531 /nfs/dbraw/zinc/23/95/31/823239531.db2.gz PXLYBMJGVJNXEZ-JKSUJKDBSA-N 1 0 389.927 4.462 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@H](C)CCCc1cccnc1 ZINC000459652044 823239664 /nfs/dbraw/zinc/23/96/64/823239664.db2.gz PXLYBMJGVJNXEZ-HZPDHXFCSA-N 1 0 389.927 4.462 20 0 GIADRO CC(C)n1cc(NC(=O)N[C@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)cn1 ZINC000571826278 823240423 /nfs/dbraw/zinc/24/04/23/823240423.db2.gz XENBOWYHADQMFG-HXUWFJFHSA-N 1 0 383.540 4.059 20 0 GIADRO Cc1ccc2c(C[N@@H+]3CC[C@H](C(F)(F)F)C4(CCOCC4)C3)ccc(O)c2n1 ZINC000459653814 823240452 /nfs/dbraw/zinc/24/04/52/823240452.db2.gz DJWXFOABAFXTTD-SFHVURJKSA-N 1 0 394.437 4.430 20 0 GIADRO FC(F)(F)[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccsc2)CC12CCOCC2 ZINC000459656881 823241622 /nfs/dbraw/zinc/24/16/22/823241622.db2.gz WFZWZCRXOANMJF-HNNXBMFYSA-N 1 0 385.455 4.319 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)CCCc2nc3ccccc3[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000176582964 823241795 /nfs/dbraw/zinc/24/17/95/823241795.db2.gz YMZXXORWCHMZGV-QUCCMNQESA-N 1 0 390.531 4.055 20 0 GIADRO Cn1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c(-c2ccccc2)n1 ZINC000459657475 823242219 /nfs/dbraw/zinc/24/22/19/823242219.db2.gz WYMUMJLNBNEHEY-GOSISDBHSA-N 1 0 393.453 4.268 20 0 GIADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H](C)c1cncc(F)c1 ZINC000459659766 823243244 /nfs/dbraw/zinc/24/32/44/823243244.db2.gz ZPQMBEMBYDAXAZ-RYUDHWBXSA-N 1 0 380.261 4.051 20 0 GIADRO C[C@H](Oc1ccc(C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)cc1)c1ccccc1 ZINC000409532258 823243264 /nfs/dbraw/zinc/24/32/64/823243264.db2.gz WKSSVLHHQMDGOU-WMZHIEFXSA-N 1 0 396.531 4.009 20 0 GIADRO C[C@@H](O)c1ccc(C[NH2+]Cc2cccc3c2N(C(=O)OC(C)(C)C)CC3)cc1 ZINC000176591918 823243629 /nfs/dbraw/zinc/24/36/29/823243629.db2.gz DPHQYPOATAFZAQ-MRXNPFEDSA-N 1 0 382.504 4.327 20 0 GIADRO Cc1noc(-c2ccc(C)c(NC(=O)NC[C@H]3CCC[N@@H+]3C3CCCCC3)c2)n1 ZINC000571842550 823243761 /nfs/dbraw/zinc/24/37/61/823243761.db2.gz MJKJORKVMJCOKD-LJQANCHMSA-N 1 0 397.523 4.272 20 0 GIADRO CC[C@H](NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)c1c(C)noc1C ZINC000121755183 823243924 /nfs/dbraw/zinc/24/39/24/823243924.db2.gz FYGRTCUHDWLGMX-ACBHZAAOSA-N 1 0 376.545 4.085 20 0 GIADRO Cc1ccc(Cl)cc1S(=O)(=O)N(c1cccc(F)c1)C1CC[NH+](C)CC1 ZINC000571846134 823244445 /nfs/dbraw/zinc/24/44/45/823244445.db2.gz RRYVNOIRQIJPTC-UHFFFAOYSA-N 1 0 396.915 4.077 20 0 GIADRO COCc1nc(CN[C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cs1 ZINC000571845081 823244475 /nfs/dbraw/zinc/24/44/75/823244475.db2.gz UGWCLROFYUBZDD-HLAWJBBLSA-N 1 0 385.577 4.070 20 0 GIADRO C[C@H]([NH2+]Cc1ccc2cnn(C)c2c1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000571850284 823245624 /nfs/dbraw/zinc/24/56/24/823245624.db2.gz VBUIJSYBNCODNK-INIZCTEOSA-N 1 0 397.544 4.140 20 0 GIADRO C[C@@H](NC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)c1ccc(-c2cccnc2)cc1 ZINC000176601279 823245799 /nfs/dbraw/zinc/24/57/99/823245799.db2.gz CAYJLIDNEPAHOW-XXBNENTESA-N 1 0 392.547 4.470 20 0 GIADRO C[C@@H](C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)c1ccc(C(F)(F)F)cc1 ZINC000409573752 823252350 /nfs/dbraw/zinc/25/23/50/823252350.db2.gz GNNAXKOMWYUXLW-DNVCBOLYSA-N 1 0 378.438 4.098 20 0 GIADRO Cc1nc(CCCC(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)cs1 ZINC000176611279 823248201 /nfs/dbraw/zinc/24/82/01/823248201.db2.gz FUXIEYYBVYCMGK-UHFFFAOYSA-N 1 0 381.929 4.007 20 0 GIADRO COc1sc(C[NH2+]Cc2ccc(OC)c(Cl)c2)cc1Br ZINC000121777843 823248494 /nfs/dbraw/zinc/24/84/94/823248494.db2.gz CGQDINAAKDUIQJ-UHFFFAOYSA-N 1 0 376.703 4.471 20 0 GIADRO CCOC[C@H]1CCCCN1Cc1csc(N(C(C)=O)c2ccc(F)cc2)n1 ZINC000459680641 823249239 /nfs/dbraw/zinc/24/92/39/823249239.db2.gz WABVIICZHXLELG-LJQANCHMSA-N 1 0 391.512 4.358 20 0 GIADRO CC(C)c1csc(CNC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1 ZINC000121782187 823249828 /nfs/dbraw/zinc/24/98/28/823249828.db2.gz XFADDVOUYQNIIQ-KRWDZBQOSA-N 1 0 378.586 4.064 20 0 GIADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1 ZINC000121782270 823249942 /nfs/dbraw/zinc/24/99/42/823249942.db2.gz WHKDPRAVZVWNDN-BMIGLBTASA-N 1 0 384.332 4.459 20 0 GIADRO CC(C)OCC[NH+]1CCC(NC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000176621933 823250762 /nfs/dbraw/zinc/25/07/62/823250762.db2.gz FNLXDLHTAZZYRG-HXUWFJFHSA-N 1 0 393.959 4.076 20 0 GIADRO CC1(C)Oc2ccsc2[C@@H]([NH2+]Cc2ccc(OCC(F)(F)F)cc2)[C@@H]1O ZINC000459689069 823250910 /nfs/dbraw/zinc/25/09/10/823250910.db2.gz HZZFVYZNCFJELR-ZBFHGGJFSA-N 1 0 387.423 4.052 20 0 GIADRO CC(C)[C@@H]1C[C@@H](CC(=O)Nc2nc3c(s2)C[N@@H+](C(C)(C)C)CC3)CCO1 ZINC000571910540 823252725 /nfs/dbraw/zinc/25/27/25/823252725.db2.gz GKCCMVFKJZGHDY-HOCLYGCPSA-N 1 0 379.570 4.080 20 0 GIADRO CC(C)[C@@H](SCc1ccccc1)C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000176624175 823251731 /nfs/dbraw/zinc/25/17/31/823251731.db2.gz RMLOQJMXHIKWKN-JOCHJYFZSA-N 1 0 397.588 4.120 20 0 GIADRO COc1ccc(NC(=O)NCC2CC[NH+](CCC(C)C)CC2)cc1SC ZINC000459694145 823252225 /nfs/dbraw/zinc/25/22/25/823252225.db2.gz ALVIIKGUQDABEO-UHFFFAOYSA-N 1 0 379.570 4.297 20 0 GIADRO O=C(NC[C@H]1CC[C@H](c2ccccc2)O1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000571916460 823253639 /nfs/dbraw/zinc/25/36/39/823253639.db2.gz AYGRZSMHVQWENA-DHIUTWEWSA-N 1 0 399.579 4.204 20 0 GIADRO COc1cccc2c1C[C@H]([NH2+][C@H](C)CC(=O)Nc1ccccc1C(F)(F)F)C2 ZINC000459704087 823253752 /nfs/dbraw/zinc/25/37/52/823253752.db2.gz PJUWOWUCTJQEPG-UKRRQHHQSA-N 1 0 392.421 4.188 20 0 GIADRO COCC[C@@H](Cc1cccc(F)c1)[NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000121799742 823254051 /nfs/dbraw/zinc/25/40/51/823254051.db2.gz UGNXVMDBXSJPRM-AOMKIAJQSA-N 1 0 384.495 4.473 20 0 GIADRO CCc1nc(C)c([C@@H](C)N(C)C(=O)NCCCCC[NH+]2CCCCC2)s1 ZINC000176639104 823255053 /nfs/dbraw/zinc/25/50/53/823255053.db2.gz ZTEXPASNLIMOPM-QGZVFWFLSA-N 1 0 380.602 4.373 20 0 GIADRO Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000057167740 823257957 /nfs/dbraw/zinc/25/79/57/823257957.db2.gz PBPWAWZFEIZJTJ-IBGZPJMESA-N 1 0 395.547 4.062 20 0 GIADRO Fc1ccc([C@H]([NH2+]CC2CCN(CC(F)(F)F)CC2)c2ccccc2)nc1 ZINC000188521126 823255816 /nfs/dbraw/zinc/25/58/16/823255816.db2.gz KNHDUHPHNYCYOM-LJQANCHMSA-N 1 0 381.417 4.174 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)[C@H]2C[C@H]2c2c(F)cccc2Cl)cc1F ZINC000121811864 823256002 /nfs/dbraw/zinc/25/60/02/823256002.db2.gz XMTQYDADVPVKME-CABCVRRESA-N 1 0 378.850 4.100 20 0 GIADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cc(N(C)C)c3ccccc3n2)C1 ZINC000571933708 823256479 /nfs/dbraw/zinc/25/64/79/823256479.db2.gz ZMEUAAXMNSPVLN-OALUTQOASA-N 1 0 394.563 4.027 20 0 GIADRO Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000057167759 823258074 /nfs/dbraw/zinc/25/80/74/823258074.db2.gz VIXKLDZCNNWEQL-LJQANCHMSA-N 1 0 395.547 4.062 20 0 GIADRO CC1(C)C(=O)N[C@H]1C1CC[NH+](CC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000571938852 823257443 /nfs/dbraw/zinc/25/74/43/823257443.db2.gz IQRWAUHBDYCART-QFIPXVFZSA-N 1 0 398.497 4.333 20 0 GIADRO O=C(CC(c1ccccc1)c1ccccc1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000057166573 823257578 /nfs/dbraw/zinc/25/75/78/823257578.db2.gz FOXJIBDSFQQSKJ-UHFFFAOYSA-N 1 0 399.538 4.384 20 0 GIADRO O=C(N[C@H](CC(F)(F)F)c1ccccc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000057130851 823252903 /nfs/dbraw/zinc/25/29/03/823252903.db2.gz MUYXRLLMCUSHKQ-GOSISDBHSA-N 1 0 383.458 4.340 20 0 GIADRO COc1ccc([C@@H](CO)C[NH2+]C2CC(c3cccc(Br)c3)C2)cc1 ZINC000459733266 823258479 /nfs/dbraw/zinc/25/84/79/823258479.db2.gz JSESZQXDCRDORD-TVRKMHQQSA-N 1 0 390.321 4.069 20 0 GIADRO COc1ccc(NC(=O)N(CC[NH+](C)C)Cc2cccs2)cc1SC ZINC000459773670 823263062 /nfs/dbraw/zinc/26/30/62/823263062.db2.gz PXESYMCFXVRPAK-UHFFFAOYSA-N 1 0 379.551 4.074 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)cc(OC)c1OC ZINC000121829804 823259221 /nfs/dbraw/zinc/25/92/21/823259221.db2.gz LBFOUIRUPWZLGL-LSDHHAIUSA-N 1 0 398.503 4.473 20 0 GIADRO O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@H]1Cc1cccc(F)c1 ZINC000057175193 823259316 /nfs/dbraw/zinc/25/93/16/823259316.db2.gz WNSYFTRMEJKPJS-QHCPKHFHSA-N 1 0 380.507 4.271 20 0 GIADRO Cc1ccc(OCCCCNC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000057174827 823259333 /nfs/dbraw/zinc/25/93/33/823259333.db2.gz MDDMDOKWBUAPCI-UHFFFAOYSA-N 1 0 380.532 4.182 20 0 GIADRO O[C@@H](C[C@@H]1CCCCC[N@@H+]1CCc1nc(-c2ccccc2)no1)c1ccco1 ZINC000121835760 823260161 /nfs/dbraw/zinc/26/01/61/823260161.db2.gz DHGKUJKSNHTKER-OALUTQOASA-N 1 0 381.476 4.240 20 0 GIADRO C[C@H](CC[NH2+][C@@H]1CCO[C@H]1c1cncc(Br)c1)c1ccccc1 ZINC000459752696 823260564 /nfs/dbraw/zinc/26/05/64/823260564.db2.gz BXYXJOYGTPAHHC-ZMYBRWDISA-N 1 0 375.310 4.458 20 0 GIADRO C[N@H+](Cc1cn(Cc2ccccc2)nc1-c1cccnc1)Cc1ccc(O)cc1 ZINC000571959621 823260635 /nfs/dbraw/zinc/26/06/35/823260635.db2.gz APYWACPNGYHBQN-UHFFFAOYSA-N 1 0 384.483 4.331 20 0 GIADRO CC(C)Oc1ccc(C[NH2+][C@@H]2CCO[C@H]2c2cncc(Br)c2)cc1 ZINC000459756877 823260952 /nfs/dbraw/zinc/26/09/52/823260952.db2.gz HHLJXTYEMTWXCR-MOPGFXCFSA-N 1 0 391.309 4.251 20 0 GIADRO C[C@H]([NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1)[C@H]1CCCOC1 ZINC000459758846 823261216 /nfs/dbraw/zinc/26/12/16/823261216.db2.gz SSNOZXMZZGYEOW-INDWIESVSA-N 1 0 382.523 4.198 20 0 GIADRO COc1ccc(CNc2ccc(C[NH+](C)C)c(C)c2)c(Br)c1O ZINC000459759168 823261324 /nfs/dbraw/zinc/26/13/24/823261324.db2.gz LXBNHNBQQXCGOQ-UHFFFAOYSA-N 1 0 379.298 4.145 20 0 GIADRO Cc1cnc([C@@H](C)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)o1 ZINC000459765603 823262109 /nfs/dbraw/zinc/26/21/09/823262109.db2.gz NXZXGTCRNVBQGA-VOQZNFBZSA-N 1 0 379.479 4.441 20 0 GIADRO CCC[C@@H]([NH2+]CC(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F)C1CCC1 ZINC000459770365 823262496 /nfs/dbraw/zinc/26/24/96/823262496.db2.gz CIMPCBXLAAAXAO-MRXNPFEDSA-N 1 0 385.430 4.161 20 0 GIADRO CO[C@H]1C[C@@H]([NH2+]Cc2coc(-c3ccc(Br)cc3)n2)C12CCC2 ZINC000459769585 823262502 /nfs/dbraw/zinc/26/25/02/823262502.db2.gz QXNIZCQISHOXCT-CVEARBPZSA-N 1 0 377.282 4.151 20 0 GIADRO C[C@@H]1C[C@H]1c1ccc(C[NH2+][C@@H]2CCO[C@H]2c2cncc(Br)c2)o1 ZINC000459771846 823262866 /nfs/dbraw/zinc/26/28/66/823262866.db2.gz SZYQHXVGNYTXAV-JJSROIJQSA-N 1 0 377.282 4.180 20 0 GIADRO COc1ccc([C@@H](CO)C[NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)cc1 ZINC000459732951 823258236 /nfs/dbraw/zinc/25/82/36/823258236.db2.gz JLSXPHYBDBDWKE-MRXNPFEDSA-N 1 0 388.920 4.338 20 0 GIADRO Cc1ccc(C[C@@H]([NH2+][C@H](C)Cn2cc(Br)cn2)c2ccccn2)cc1 ZINC000121880262 823269364 /nfs/dbraw/zinc/26/93/64/823269364.db2.gz RWUFBZODDUPUCX-OXQOHEQNSA-N 1 0 399.336 4.311 20 0 GIADRO CC1(C)C[C@H]([NH2+][C@H]2CCCc3c2cnn3-c2ncccn2)c2ccc(F)cc2O1 ZINC000571975169 823264281 /nfs/dbraw/zinc/26/42/81/823264281.db2.gz GMYUUOANNGHAKG-ROUUACIJSA-N 1 0 393.466 4.071 20 0 GIADRO C[C@H]1C[NH+](CCCCNC(=O)c2sc3ccccc3c2Cl)C[C@H](C)O1 ZINC000176690319 823268902 /nfs/dbraw/zinc/26/89/02/823268902.db2.gz PTTOKRYHCPQUEU-KBPBESRZSA-N 1 0 380.941 4.174 20 0 GIADRO CC1CC[NH+](CCNC(=O)[C@H]2CC=CC[C@H]2c2nc3ccccc3s2)CC1 ZINC000057213367 823265012 /nfs/dbraw/zinc/26/50/12/823265012.db2.gz LIXBESAMSHECQL-ZWKOTPCHSA-N 1 0 383.561 4.194 20 0 GIADRO CC[NH2+]Cc1cccc(NC(=O)N[C@H]2c3ccccc3CC23CCOCC3)c1 ZINC000572010913 823268927 /nfs/dbraw/zinc/26/89/27/823268927.db2.gz WDPIRZYYCYWSGW-NRFANRHFSA-N 1 0 379.504 4.012 20 0 GIADRO Cc1ccc([C@@H]([NH2+]C[C@@H]2CCC=CO2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000188580511 823265488 /nfs/dbraw/zinc/26/54/88/823265488.db2.gz RSXUDEVMCSWNCK-UGKGYDQZSA-N 1 0 385.529 4.079 20 0 GIADRO CC(C)c1csc(CNC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1 ZINC000121865644 823266099 /nfs/dbraw/zinc/26/60/99/823266099.db2.gz MWEYAPTZLKOKQX-IRXDYDNUSA-N 1 0 378.586 4.063 20 0 GIADRO Cc1cc(C(=O)[C@H](C)[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)c(C)n1Cc1ccco1 ZINC000459810317 823266622 /nfs/dbraw/zinc/26/66/22/823266622.db2.gz TXSHDIVHGSGULL-OFAXGOBFSA-N 1 0 398.547 4.190 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@H]1CCCC(F)(F)C1 ZINC000409631008 823266995 /nfs/dbraw/zinc/26/69/95/823266995.db2.gz NHXXQSBBCZLCQJ-SFHVURJKSA-N 1 0 394.510 4.155 20 0 GIADRO Cc1c(Cl)cc(NC(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1Cl ZINC000572011340 823269318 /nfs/dbraw/zinc/26/93/18/823269318.db2.gz BOTVBUQDABGPTI-OAHLLOKOSA-N 1 0 386.323 4.020 20 0 GIADRO C/C(=C\c1ccc(F)cc1)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000176689697 823268598 /nfs/dbraw/zinc/26/85/98/823268598.db2.gz NXHSOBRKHNDSHV-WNZNBFKUSA-N 1 0 396.506 4.245 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(-c2ccncc2)nc2ccccc21 ZINC000004417457 817525741 /nfs/dbraw/zinc/52/57/41/817525741.db2.gz MWBPONSJSHEABO-SFHVURJKSA-N 1 0 388.515 4.291 20 0 GIADRO C[C@@H]1CCC[C@H]([NH+]2CCC(Nc3ccc(Cc4nnc5n4CCC5)cc3)CC2)C1 ZINC000188603805 823271095 /nfs/dbraw/zinc/27/10/95/823271095.db2.gz MHTNWQCAONRINF-GCJKJVERSA-N 1 0 393.579 4.270 20 0 GIADRO CC(C)CC[N@@H+]1Cc2cccc(NC(=O)CCCNC(=O)[C@H]3CC=CCC3)c2C1 ZINC000409646595 823272541 /nfs/dbraw/zinc/27/25/41/823272541.db2.gz VSMIIJKIIHZAJI-IBGZPJMESA-N 1 0 397.563 4.240 20 0 GIADRO COc1cc(Cl)c(NC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)cc1C ZINC000572040308 823272911 /nfs/dbraw/zinc/27/29/11/823272911.db2.gz QJUWUDUEFFHCBR-UHFFFAOYSA-N 1 0 393.890 4.392 20 0 GIADRO OC[C@H](C[NH2+][C@H]1CCCNc2ccccc21)Cc1ccc(Br)cc1 ZINC000572047304 823273675 /nfs/dbraw/zinc/27/36/75/823273675.db2.gz ANDNDFBBGHYCEB-JXFKEZNVSA-N 1 0 389.337 4.137 20 0 GIADRO Cc1ccc(C[C@@H]([NH2+][C@H](C)c2ccc(-n3cnnn3)cc2)c2ccccn2)cc1 ZINC000121911868 823275660 /nfs/dbraw/zinc/27/56/60/823275660.db2.gz YQQKLKLALZNKCL-WZONZLPQSA-N 1 0 384.487 4.000 20 0 GIADRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)c1coc(-c2ccccc2Cl)n1 ZINC000572067292 823277414 /nfs/dbraw/zinc/27/74/14/823277414.db2.gz QCZNRWJJHDTQFR-UHFFFAOYSA-N 1 0 387.867 4.182 20 0 GIADRO C[C@H]([NH2+]C[C@]1(O)CCC[C@H](C(F)(F)F)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000188636897 823278012 /nfs/dbraw/zinc/27/80/12/823278012.db2.gz RTWQIDREVPSJCQ-RFUYNDQBSA-N 1 0 399.457 4.105 20 0 GIADRO O=C(CN[C@@H](Cc1ccc(Cl)cc1)c1ccccn1)NCc1ccc(F)cc1 ZINC000572073676 823277923 /nfs/dbraw/zinc/27/79/23/823277923.db2.gz MTAYOCSEUFXETE-NRFANRHFSA-N 1 0 397.881 4.064 20 0 GIADRO COc1ccc([C@H](CNC(=S)Nc2ccc(C)c(C)c2)[NH+]2CCCC2)cc1 ZINC000006335998 817678234 /nfs/dbraw/zinc/67/82/34/817678234.db2.gz JESANFGABWACIK-NRFANRHFSA-N 1 0 383.561 4.436 20 0 GIADRO Cc1ccc(NC(=O)NCCCC[NH+]2CCN(Cc3ccccc3)CC2)c(C)c1 ZINC000409677541 823281070 /nfs/dbraw/zinc/28/10/70/823281070.db2.gz ZQGHKZXJPUYMGR-UHFFFAOYSA-N 1 0 394.563 4.023 20 0 GIADRO Cc1c(Br)cccc1C[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000572090099 823281879 /nfs/dbraw/zinc/28/18/79/823281879.db2.gz SQEDUFGAFVHBGD-MGPUTAFESA-N 1 0 388.353 4.153 20 0 GIADRO O=C(c1ccc2noc(-c3ccc(F)cc3)c2c1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000121948266 823283075 /nfs/dbraw/zinc/28/30/75/823283075.db2.gz QBVPDPYLCLKLMI-IBGZPJMESA-N 1 0 393.462 4.334 20 0 GIADRO Cc1ccc(OCc2ccccc2)c(NC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000572101094 823283610 /nfs/dbraw/zinc/28/36/10/823283610.db2.gz AOUMXDBHSOHKNG-HXUWFJFHSA-N 1 0 381.520 4.426 20 0 GIADRO Cc1ccccc1[C@H]1CN(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CCO1 ZINC000572102113 823283629 /nfs/dbraw/zinc/28/36/29/823283629.db2.gz QUZZBLFSXUAKDG-GOSISDBHSA-N 1 0 393.409 4.078 20 0 GIADRO C[C@@H](CC[NH2+]Cc1csc(CNC(=O)c2ccccc2)n1)c1ccccc1 ZINC000572105214 823283883 /nfs/dbraw/zinc/28/38/83/823283883.db2.gz WFQAWICTEOAIJV-KRWDZBQOSA-N 1 0 379.529 4.357 20 0 GIADRO O=C(NCc1ccc2c(c1)C[NH2+]C2)C1(c2ccc(Br)cc2)CCCC1 ZINC000188675026 823284343 /nfs/dbraw/zinc/28/43/43/823284343.db2.gz FLFHNBLSZCNYQU-UHFFFAOYSA-N 1 0 399.332 4.181 20 0 GIADRO O[C@]1(C[NH2+]Cc2ccc(-c3ccccc3Br)s2)CCSC1 ZINC000176751326 823284360 /nfs/dbraw/zinc/28/43/60/823284360.db2.gz WSZDFAJVHDSDOL-INIZCTEOSA-N 1 0 384.364 4.135 20 0 GIADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)Nc1ccc(OC(F)F)cc1F ZINC000572108214 823284529 /nfs/dbraw/zinc/28/45/29/823284529.db2.gz LTMREYPVXHBNNW-CYBMUJFWSA-N 1 0 381.398 4.069 20 0 GIADRO CCCc1occc1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000409697634 823285060 /nfs/dbraw/zinc/28/50/60/823285060.db2.gz MPDLCUZIZNAMHV-MRXNPFEDSA-N 1 0 380.410 4.255 20 0 GIADRO C[C@H]1CCC[C@@](CNC(=O)N(C)[C@H]2CC[C@@H](C(F)(F)F)CC2)([NH+](C)C)C1 ZINC000460108064 823286112 /nfs/dbraw/zinc/28/61/12/823286112.db2.gz FMXWCCOBDPTDCP-LISAXSMJSA-N 1 0 377.495 4.259 20 0 GIADRO COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000176763290 823286561 /nfs/dbraw/zinc/28/65/61/823286561.db2.gz QVRWDZHUUVZZEV-UHFFFAOYSA-N 1 0 399.878 4.029 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)CC(=O)N(C)[C@@H](C)c3ccccc3)C2)s1 ZINC000572124693 823286797 /nfs/dbraw/zinc/28/67/97/823286797.db2.gz ASYMGJPCCGXXDV-VQTJNVASSA-N 1 0 399.604 4.030 20 0 GIADRO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccnn2Cc2ccc(C(C)C)cc2)C1 ZINC000460115338 823287264 /nfs/dbraw/zinc/28/72/64/823287264.db2.gz MGVQTXQAHHWKOQ-HXUWFJFHSA-N 1 0 383.540 4.003 20 0 GIADRO C[C@H](NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)c1c(F)cccc1F ZINC000460116664 823287555 /nfs/dbraw/zinc/28/75/55/823287555.db2.gz ZMHVTZIQULINDJ-YTQUADARSA-N 1 0 399.485 4.189 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)Cc1csc(-c2ccc(Cl)s2)n1 ZINC000057388385 823287843 /nfs/dbraw/zinc/28/78/43/823287843.db2.gz ZXQHYEJLFBJSRB-LBPRGKRZSA-N 1 0 383.970 4.058 20 0 GIADRO Cc1cc(C)cc(NC(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000409708191 823287963 /nfs/dbraw/zinc/28/79/63/823287963.db2.gz YWRFTBCSGUYNFP-UHFFFAOYSA-N 1 0 380.536 4.027 20 0 GIADRO CCOc1cccc2cc([C@H](C)[NH2+][C@@H](C)CS(=O)(=O)c3ccccc3)oc21 ZINC000122004421 823291499 /nfs/dbraw/zinc/29/14/99/823291499.db2.gz YELWMGYPJKNWLI-HOTGVXAUSA-N 1 0 387.501 4.345 20 0 GIADRO CC[C@H]([NH2+]Cc1ccc(C)nc1-n1cc(Cl)cn1)c1ccc(C(=O)OC)cc1 ZINC000572138693 823288897 /nfs/dbraw/zinc/28/88/97/823288897.db2.gz KKYUODNZJPNGCP-IBGZPJMESA-N 1 0 398.894 4.257 20 0 GIADRO OC1(C(F)(F)F)CC[NH+](CC(Cc2ccccc2)Cc2ccccc2)CC1 ZINC000572141800 823289408 /nfs/dbraw/zinc/28/94/08/823289408.db2.gz BINRAZAJACJABK-UHFFFAOYSA-N 1 0 377.450 4.477 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2OC)cc1OCC ZINC000007266822 817808032 /nfs/dbraw/zinc/80/80/32/817808032.db2.gz LXAOOPXEHPHENA-CVEARBPZSA-N 1 0 386.492 4.170 20 0 GIADRO C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CC2(CCC2)[C@H]1C1CCOCC1)c1ccccc1 ZINC000572150665 823290769 /nfs/dbraw/zinc/29/07/69/823290769.db2.gz AKFQSQKJTDSJRS-WIYYLYMNSA-N 1 0 399.579 4.107 20 0 GIADRO O=C(CSc1cccc(C(F)(F)F)c1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000007362008 817824815 /nfs/dbraw/zinc/82/48/15/817824815.db2.gz HGWPECPWUKMSHU-KRWDZBQOSA-N 1 0 394.462 4.188 20 0 GIADRO CCOc1ccc(NC(=O)N(CC)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1F ZINC000460130582 823290811 /nfs/dbraw/zinc/29/08/11/823290811.db2.gz VWIQVAGFAIQEPU-LJQANCHMSA-N 1 0 385.483 4.353 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)COc1ccccc1-c1ccccc1)c1cccs1 ZINC000007408840 817833671 /nfs/dbraw/zinc/83/36/71/817833671.db2.gz FXWLFZCOQHCIRJ-LJQANCHMSA-N 1 0 380.513 4.213 20 0 GIADRO C[C@H]([NH2+]CCc1ccccc1OC(F)F)c1ccc(NC(=O)NC2CC2)cc1 ZINC000188718306 823292301 /nfs/dbraw/zinc/29/23/01/823292301.db2.gz BFBLUSSEAZZMIV-AWEZNQCLSA-N 1 0 389.446 4.465 20 0 GIADRO COc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2cccc(CSC)c2)c(OC)c1 ZINC000188719346 823292537 /nfs/dbraw/zinc/29/25/37/823292537.db2.gz NYQGQPUWQAFWQH-OAHLLOKOSA-N 1 0 388.533 4.074 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)NC12CC3CC(CC(C3)C1)C2 ZINC000057411885 823292597 /nfs/dbraw/zinc/29/25/97/823292597.db2.gz OEYZTRGOYUMJFN-UHFFFAOYSA-N 1 0 385.527 4.058 20 0 GIADRO COc1ccc2oc(C(=O)NCc3ccc(C[NH+]4CCCC4)cc3)c(C)c2c1 ZINC000007437194 817841597 /nfs/dbraw/zinc/84/15/97/817841597.db2.gz CMDFUNWMOQDNGX-UHFFFAOYSA-N 1 0 378.472 4.276 20 0 GIADRO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCc1ccccc1OC(F)F ZINC000188725326 823293532 /nfs/dbraw/zinc/29/35/32/823293532.db2.gz SVOHXWXLAUQFNL-OAHLLOKOSA-N 1 0 376.447 4.400 20 0 GIADRO C[C@H]([NH2+]CCC(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)cc1 ZINC000007539246 817864203 /nfs/dbraw/zinc/86/42/03/817864203.db2.gz SHEXCMYSQXUGRZ-HNNXBMFYSA-N 1 0 385.895 4.146 20 0 GIADRO O=C(COc1ccsc1Cl)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000572174278 823294539 /nfs/dbraw/zinc/29/45/39/823294539.db2.gz INLDFGLYJDNDCU-KRWDZBQOSA-N 1 0 392.952 4.199 20 0 GIADRO C[N@@H+]1CCCC12CCN(C(=O)c1cccc(-c3noc(CC(C)(C)C)n3)c1)CC2 ZINC000572173569 823294679 /nfs/dbraw/zinc/29/46/79/823294679.db2.gz IKVXAFBRXKZHNO-UHFFFAOYSA-N 1 0 396.535 4.026 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)C1(c2ccccc2C)CCOCC1 ZINC000057429016 823294917 /nfs/dbraw/zinc/29/49/17/823294917.db2.gz CSPRYXLCYLVDCE-UHFFFAOYSA-N 1 0 394.559 4.201 20 0 GIADRO Cc1cc(NC(=O)N(C)c2cccc3ccccc32)n(C2CC[NH+](C)CC2)n1 ZINC000572175740 823294992 /nfs/dbraw/zinc/29/49/92/823294992.db2.gz UNTMRJURTCRGPA-UHFFFAOYSA-N 1 0 377.492 4.280 20 0 GIADRO Cc1ncc(C[NH2+]CCc2nc(-c3ccccn3)cs2)n1-c1ccccc1 ZINC000176797749 823295063 /nfs/dbraw/zinc/29/50/63/823295063.db2.gz PEDXCPPMJMBLMH-UHFFFAOYSA-N 1 0 375.501 4.032 20 0 GIADRO C[NH+](C)C1(CNC(=O)Cc2csc(-c3ccc(Cl)s3)n2)CCCC1 ZINC000057431518 823295970 /nfs/dbraw/zinc/29/59/70/823295970.db2.gz MAGGJWGUVRHKRE-UHFFFAOYSA-N 1 0 383.970 4.058 20 0 GIADRO FC(F)(F)c1cc(Br)cc(CN2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000572185799 823296192 /nfs/dbraw/zinc/29/61/92/823296192.db2.gz QKTLJXPWEPJALD-OAHLLOKOSA-N 1 0 377.248 4.138 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)C(Cc2ccccc2)Cc2ccccc2)CC1 ZINC000409741554 823296630 /nfs/dbraw/zinc/29/66/30/823296630.db2.gz OOYYHLCPMFUPCM-UHFFFAOYSA-N 1 0 378.560 4.326 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)ccc1S(C)(=O)=O ZINC000188745026 823296852 /nfs/dbraw/zinc/29/68/52/823296852.db2.gz WPCGHKKKJRHUIZ-ILZDJORESA-N 1 0 387.545 4.161 20 0 GIADRO COCC[N@H+](C)CC[C@H](NC(=O)[C@H](C)c1cccc(Cl)c1)c1ccccc1 ZINC000460150467 823298067 /nfs/dbraw/zinc/29/80/67/823298067.db2.gz MYDJYDMYGNFRNZ-UTKZUKDTSA-N 1 0 388.939 4.269 20 0 GIADRO Cc1cc(F)cc2c1CN(C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000409744177 823297219 /nfs/dbraw/zinc/29/72/19/823297219.db2.gz YQBKSEQGCDQBNV-WIYYLYMNSA-N 1 0 395.522 4.112 20 0 GIADRO Cc1cc(CNC(=O)Nc2ccc3nn(C(C)C)cc3c2)cc(N2CCCC2)n1 ZINC000572208207 823300499 /nfs/dbraw/zinc/30/04/99/823300499.db2.gz ANXNZUPOJQADCW-UHFFFAOYSA-N 1 0 392.507 4.243 20 0 GIADRO COc1ccc(C[C@](C)(O)C[NH2+][C@H]2CC[C@@](C)(c3ccccc3)C2)cc1OC ZINC000572209003 823300936 /nfs/dbraw/zinc/30/09/36/823300936.db2.gz IGZYTVIGNUYVJK-ZTCOLXNVSA-N 1 0 383.532 4.097 20 0 GIADRO CC[C@@H](C)Oc1cccc(NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000057482431 823302526 /nfs/dbraw/zinc/30/25/26/823302526.db2.gz QKDMGPQOEBXLFW-QGZVFWFLSA-N 1 0 382.508 4.045 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2cccc(C)c2)cc1Br ZINC000007879182 817947838 /nfs/dbraw/zinc/94/78/38/817947838.db2.gz QFTOLJXOMQZVDZ-ZDUSSCGKSA-N 1 0 377.282 4.055 20 0 GIADRO COCC[N@H+](C)CC[C@H](NC(=O)[C@@H](C)c1cccc(Cl)c1)c1ccccc1 ZINC000460150468 823298113 /nfs/dbraw/zinc/29/81/13/823298113.db2.gz MYDJYDMYGNFRNZ-UWJYYQICSA-N 1 0 388.939 4.269 20 0 GIADRO Cc1ccc(Br)c(C)c1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000572194814 823298157 /nfs/dbraw/zinc/29/81/57/823298157.db2.gz SGSJKYCBINGQLJ-INIZCTEOSA-N 1 0 391.309 4.226 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)COc1ccc2ccccc2c1 ZINC000007945832 817966416 /nfs/dbraw/zinc/96/64/16/817966416.db2.gz QQCVDHWNMQWFLD-UHFFFAOYSA-N 1 0 376.500 4.377 20 0 GIADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2cc(-c3cccc(Cl)c3)no2)CC1 ZINC000122054398 823299431 /nfs/dbraw/zinc/29/94/31/823299431.db2.gz FNVGEWZRPPMGBL-UHFFFAOYSA-N 1 0 399.878 4.325 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)[C@@H]2C[C@H]2c2cccc(C(F)(F)F)c2)cc1F ZINC000122055098 823299541 /nfs/dbraw/zinc/29/95/41/823299541.db2.gz POLVPJJSFXQMBZ-ZWKOTPCHSA-N 1 0 394.412 4.326 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N1CCC(c2ccsc2)CC1 ZINC000188779366 823303509 /nfs/dbraw/zinc/30/35/09/823303509.db2.gz GEBUQRRIWRVIFG-UHFFFAOYSA-N 1 0 383.561 4.433 20 0 GIADRO Cc1cccc(C(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000176847958 823308599 /nfs/dbraw/zinc/30/85/99/823308599.db2.gz MKZBJKMPTWDKOJ-UHFFFAOYSA-N 1 0 380.532 4.105 20 0 GIADRO CCOC1CC(CC[NH2+]Cc2csc(N(C(C)=O)c3ccc(F)cc3)n2)C1 ZINC000188785991 823305458 /nfs/dbraw/zinc/30/54/58/823305458.db2.gz PMMPSBYJQGLYES-UHFFFAOYSA-N 1 0 391.512 4.262 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)CSCc2cccc(C)c2)CC1 ZINC000057511725 823305680 /nfs/dbraw/zinc/30/56/80/823305680.db2.gz WSDREVQXZPANRT-UHFFFAOYSA-N 1 0 383.561 4.009 20 0 GIADRO CCn1c(-c2cc(C)nc3ccccc32)nnc1N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000460182925 823308712 /nfs/dbraw/zinc/30/87/12/823308712.db2.gz HXEGYKQZQOWSCM-ZWKOTPCHSA-N 1 0 392.551 4.131 20 0 GIADRO CCOc1c(Br)cc(C[NH2+]CCC2CC(OCC)C2)cc1OC ZINC000188788874 823305977 /nfs/dbraw/zinc/30/59/77/823305977.db2.gz FFDKVUIKZMKSJV-UHFFFAOYSA-N 1 0 386.330 4.151 20 0 GIADRO CCCN(CC[NH+](C)C)C(=O)c1cc(NC(=O)CC(C)(C)C)ccc1Cl ZINC000460183489 823308768 /nfs/dbraw/zinc/30/87/68/823308768.db2.gz CJUPGVXZLCNURV-UHFFFAOYSA-N 1 0 381.948 4.129 20 0 GIADRO COc1cnccc1[C@@H](C)[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000188790945 823306652 /nfs/dbraw/zinc/30/66/52/823306652.db2.gz KWUOXRQNKYGSQD-NWDGAFQWSA-N 1 0 382.245 4.107 20 0 GIADRO C[C@H]([NH2+]CC(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(F)cc1 ZINC000011046814 818047894 /nfs/dbraw/zinc/04/78/94/818047894.db2.gz WPPRFMGASDOVPW-SFHVURJKSA-N 1 0 376.475 4.252 20 0 GIADRO C[C@@H]([NH2+]CC(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(F)cc1 ZINC000011046821 818047944 /nfs/dbraw/zinc/04/79/44/818047944.db2.gz WPPRFMGASDOVPW-GOSISDBHSA-N 1 0 376.475 4.252 20 0 GIADRO COc1cnccc1[C@H](C)[NH2+][C@@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000188797791 823307934 /nfs/dbraw/zinc/30/79/34/823307934.db2.gz ZIPHBULPHJXLDM-STQMWFEESA-N 1 0 397.397 4.057 20 0 GIADRO C[C@@H](Cc1ccccc1)C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000176847390 823308265 /nfs/dbraw/zinc/30/82/65/823308265.db2.gz ZLNPQPFRTQKXMU-NRFANRHFSA-N 1 0 394.559 4.053 20 0 GIADRO CCC(=O)Nc1ccc(C)c(NC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000057542195 823308328 /nfs/dbraw/zinc/30/83/28/823308328.db2.gz OSJNVHQFMWFQOQ-HXUWFJFHSA-N 1 0 394.519 4.130 20 0 GIADRO CCn1c(CSc2ccc(C)cc2)nnc1N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000460185114 823309213 /nfs/dbraw/zinc/30/92/13/823309213.db2.gz RWPFARIWSRFAAO-QZTJIDSGSA-N 1 0 387.597 4.208 20 0 GIADRO Cc1ccc(-n2cc(C[NH2+][C@@H](C)CC[S@](C)=O)c(-c3ccc(F)cc3)n2)cc1 ZINC000572264646 823309665 /nfs/dbraw/zinc/30/96/65/823309665.db2.gz ZDLJCXJVDREOIE-HPGBDJQBSA-N 1 0 399.535 4.234 20 0 GIADRO C[C@@H](C(=O)NCC[N@H+](C)Cc1ccc(F)cc1)c1ccc(C(F)(F)F)cc1 ZINC000409796711 823309820 /nfs/dbraw/zinc/30/98/20/823309820.db2.gz SXKUFMUGJLWIIE-CQSZACIVSA-N 1 0 382.401 4.196 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2csc(-c3ccc(Cl)s3)n2)[C@H](C)C1 ZINC000122125124 823310087 /nfs/dbraw/zinc/31/00/87/823310087.db2.gz IECHWPOVOWXKEO-YPMHNXCESA-N 1 0 383.970 4.327 20 0 GIADRO C[C@@H](C1CC1)[N@H+](CC(=O)N(Cc1ccco1)CC(F)(F)F)Cc1ccccc1 ZINC000057566859 823310579 /nfs/dbraw/zinc/31/05/79/823310579.db2.gz AVONPTPRSKLUCK-INIZCTEOSA-N 1 0 394.437 4.471 20 0 GIADRO COc1ccc(CN(C)C(=O)C[N@H+](Cc2ccccc2)[C@@H](C)C2CC2)cc1F ZINC000057566763 823310645 /nfs/dbraw/zinc/31/06/45/823310645.db2.gz LWHQPLBSGPNDJX-KRWDZBQOSA-N 1 0 384.495 4.093 20 0 GIADRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)c1cccc(C2CCC2)c1 ZINC000409804003 823311718 /nfs/dbraw/zinc/31/17/18/823311718.db2.gz LEQXYPBDIVLIHS-UHFFFAOYSA-N 1 0 397.607 4.222 20 0 GIADRO O[C@@H](C[NH2+]Cc1csc(-c2ccccc2)n1)COCc1ccccc1Cl ZINC000572274868 823311819 /nfs/dbraw/zinc/31/18/19/823311819.db2.gz QANQTFYLIWNEHS-SFHVURJKSA-N 1 0 388.920 4.131 20 0 GIADRO Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)C3(C[NH+](C)C)CCCCC3)cc2)n1 ZINC000460194903 823312556 /nfs/dbraw/zinc/31/25/56/823312556.db2.gz GSEVBKOBOLVNLT-IBGZPJMESA-N 1 0 382.552 4.178 20 0 GIADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cn(-c2ccccc2)nc1C(C)(C)C ZINC000011920970 818129009 /nfs/dbraw/zinc/12/90/09/818129009.db2.gz HZBPAECKWUZEFQ-GOSISDBHSA-N 1 0 384.568 4.410 20 0 GIADRO Cc1ccc(-c2cnc(-c3ccccc3C(=O)N3CC[NH+]4CCC3CC4)o2)cc1 ZINC000188828006 823314318 /nfs/dbraw/zinc/31/43/18/823314318.db2.gz PVOKQGYRXFBSHA-UHFFFAOYSA-N 1 0 387.483 4.237 20 0 GIADRO Cc1ccc2[nH+]cc(C(=O)[O-])c(NC[C@@H]3CCC[N@H+](Cc4cccs4)C3)c2c1 ZINC000572291174 823314624 /nfs/dbraw/zinc/31/46/24/823314624.db2.gz DCPDRBKAFRFMCY-INIZCTEOSA-N 1 0 395.528 4.049 20 0 GIADRO CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000460201790 823315467 /nfs/dbraw/zinc/31/54/67/823315467.db2.gz CJHJBSNQEYICJC-UHFFFAOYSA-N 1 0 391.922 4.212 20 0 GIADRO Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)c(C)c1 ZINC000012328217 818155359 /nfs/dbraw/zinc/15/53/59/818155359.db2.gz NLKJLCXGLPVBSI-UXHICEINSA-N 1 0 393.531 4.290 20 0 GIADRO C[NH+](C)CC1(C(=O)Nc2ccccc2NC(=O)C[C@@H]2C=CCC2)CCCCC1 ZINC000460205075 823316618 /nfs/dbraw/zinc/31/66/18/823316618.db2.gz OZXANKAQGSKLBG-GOSISDBHSA-N 1 0 383.536 4.432 20 0 GIADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(Cc2ccccc2)Cc2ccccc2)C1 ZINC000409822607 823317150 /nfs/dbraw/zinc/31/71/50/823317150.db2.gz VVOWLSDJWJPJHS-HSZRJFAPSA-N 1 0 378.560 4.182 20 0 GIADRO C[NH+](C)CC1CCC(NC(=O)C2(Cc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000188863700 823319263 /nfs/dbraw/zinc/31/92/63/823319263.db2.gz XDTZFIVHPKASLZ-UHFFFAOYSA-N 1 0 382.470 4.265 20 0 GIADRO CCOc1ccc(-c2nc(CC)c(-c3nc(Cc4cncn4C)no3)s2)cc1 ZINC000572323114 823320028 /nfs/dbraw/zinc/32/00/28/823320028.db2.gz YMMKCVMPJZIRMX-UHFFFAOYSA-N 1 0 395.488 4.146 20 0 GIADRO CCN(CC)C(=O)[C@H]([NH2+][C@H]1C[C@H](c2ccc(OC)c(F)c2)C1)c1ccccc1 ZINC000409837328 823320983 /nfs/dbraw/zinc/32/09/83/823320983.db2.gz REOXUIBYPGNWPL-WOIUINJBSA-N 1 0 384.495 4.280 20 0 GIADRO Cc1cccc(NC(=O)[C@H](C)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1C ZINC000572326535 823321173 /nfs/dbraw/zinc/32/11/73/823321173.db2.gz XUBZBKLAMIJRLW-WWNPGLIZSA-N 1 0 391.559 4.084 20 0 GIADRO Brc1cccc2[nH]cc(CC[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCC4)c21 ZINC000572327292 823321738 /nfs/dbraw/zinc/32/17/38/823321738.db2.gz ASLBLDHMTPLZMG-FSPWUOQZSA-N 1 0 375.310 4.020 20 0 GIADRO C[NH+](C)Cc1ccnc(NC(=O)c2cc(-c3cccnc3)nc3ccccc32)c1 ZINC000176909691 823322263 /nfs/dbraw/zinc/32/22/63/823322263.db2.gz JZNYBXIMIUDDSR-UHFFFAOYSA-N 1 0 383.455 4.006 20 0 GIADRO CCC[C@]1(CO)CCN(C(=O)NCC(CC)(CC)[NH2+][C@@H](C)c2ccccc2)C1 ZINC000460237254 823326701 /nfs/dbraw/zinc/32/67/01/823326701.db2.gz VGJDMWHIECKKNL-UGKGYDQZSA-N 1 0 389.584 4.090 20 0 GIADRO O=S(=O)(/C=C/c1ccc(Cl)cc1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000057705194 823323711 /nfs/dbraw/zinc/32/37/11/823323711.db2.gz MDXKGVBCGOIUFD-JZUUQJBKSA-N 1 0 396.965 4.129 20 0 GIADRO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH2+][C@H]1CCOc2c(Br)cccc21 ZINC000409845362 823323752 /nfs/dbraw/zinc/32/37/52/823323752.db2.gz YXOKJBKTJYECNG-CPUCHLNUSA-N 1 0 395.341 4.042 20 0 GIADRO C[C@@H](CNC(=O)c1ccccc1CSc1nc2ccccc2[nH]1)[N@H+](C)C1CC1 ZINC000057711731 823324012 /nfs/dbraw/zinc/32/40/12/823324012.db2.gz WRCRZCQSBMWCBJ-HNNXBMFYSA-N 1 0 394.544 4.068 20 0 GIADRO O[C@@H](COc1ccc(F)cc1)C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000014789016 818265773 /nfs/dbraw/zinc/26/57/73/818265773.db2.gz MGFVUDXXSZZOSS-QGZVFWFLSA-N 1 0 386.492 4.055 20 0 GIADRO C[C@H](CNC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)[N@H+](C)C1CC1 ZINC000057713221 823324159 /nfs/dbraw/zinc/32/41/59/823324159.db2.gz WUNYXLVYZMCGIR-GFCCVEGCSA-N 1 0 396.318 4.180 20 0 GIADRO C[C@H](CNC(=O)c1ccccc1CSc1nc2ccccc2[nH]1)[N@H+](C)C1CC1 ZINC000057711736 823324346 /nfs/dbraw/zinc/32/43/46/823324346.db2.gz WRCRZCQSBMWCBJ-OAHLLOKOSA-N 1 0 394.544 4.068 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2sccc2Br)C1 ZINC000409847484 823324577 /nfs/dbraw/zinc/32/45/77/823324577.db2.gz FQSSOUGXNQYIKC-TZMCWYRMSA-N 1 0 379.323 4.076 20 0 GIADRO COc1cc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cccs2)ccc1OC(F)F ZINC000176920225 823324587 /nfs/dbraw/zinc/32/45/87/823324587.db2.gz ZQDBKEULWOLZSX-GJZGRUSLSA-N 1 0 383.460 4.446 20 0 GIADRO CC[C@H]([NH2+]CC(=O)NC[C@H]1CCN(c2ccccc2)C1)c1ccc(Cl)cc1 ZINC000122240833 823326501 /nfs/dbraw/zinc/32/65/01/823326501.db2.gz WTDGHYDCWSKUNC-UTKZUKDTSA-N 1 0 385.939 4.023 20 0 GIADRO Cc1ccc(C[C@H]2CCCN(C(=O)C3CCN(c4cc[nH+]cc4C)CC3)C2)cc1 ZINC000572344346 823325009 /nfs/dbraw/zinc/32/50/09/823325009.db2.gz UPFADGHUZSBHNK-JOCHJYFZSA-N 1 0 391.559 4.396 20 0 GIADRO O=C(/C=C/c1nc2ccccc2s1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000015140099 818294421 /nfs/dbraw/zinc/29/44/21/818294421.db2.gz RJWFNWPRYRCBCV-VAWYXSNFSA-N 1 0 377.513 4.222 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(-c3ccc4ccccc4c3)n[nH]2)[C@H](C)C1 ZINC000572357482 823326912 /nfs/dbraw/zinc/32/69/12/823326912.db2.gz XTXLQENVINNBMR-ZHRRBRCNSA-N 1 0 376.504 4.032 20 0 GIADRO Cc1nc(CC[NH2+]C[C@H](O)CO[C@@H](c2ccccc2)c2ccc(C)cc2)cs1 ZINC000572356694 823327063 /nfs/dbraw/zinc/32/70/63/823327063.db2.gz SABTUFXAVZSTRO-GOTSBHOMSA-N 1 0 396.556 4.059 20 0 GIADRO COc1ccc([C@H](CNC(=O)CCc2ccc([C@H]3C[C@@H]3C)o2)[NH+]2CCCC2)cc1 ZINC000057781385 823331743 /nfs/dbraw/zinc/33/17/43/823331743.db2.gz PXFMZPGJYITJQP-HSQYWUDLSA-N 1 0 396.531 4.298 20 0 GIADRO COc1ccc(C(=O)C(C(=S)Nc2cccc(C)c2)[n+]2ccccc2)cc1 ZINC000015246095 818302300 /nfs/dbraw/zinc/30/23/00/818302300.db2.gz WGTWUMUQFPJHCO-UHFFFAOYSA-O 1 0 377.489 4.342 20 0 GIADRO CC(C)c1c(C(=O)Nc2cc(C[NH+](C)C)ccn2)cnn1-c1cccc(Cl)c1 ZINC000176931918 823327272 /nfs/dbraw/zinc/32/72/72/823327272.db2.gz JFYGGPRZUCATDU-UHFFFAOYSA-N 1 0 397.910 4.358 20 0 GIADRO Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000572364799 823327942 /nfs/dbraw/zinc/32/79/42/823327942.db2.gz QMOIXXWLSMMBES-QXUYBEEESA-N 1 0 377.532 4.042 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)CSc3ccccc3Cl)cc2)CC1 ZINC000015378526 818320074 /nfs/dbraw/zinc/32/00/74/818320074.db2.gz RZOJEJOFNLYDNG-UHFFFAOYSA-N 1 0 389.952 4.213 20 0 GIADRO COc1ccc(NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)cc1F ZINC000057752950 823328544 /nfs/dbraw/zinc/32/85/44/823328544.db2.gz QNMHLSLVSBMNJG-INIZCTEOSA-N 1 0 385.483 4.388 20 0 GIADRO C[C@H](NC(=O)NC[C@@H](c1ccccc1)C(F)(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000188919695 823328556 /nfs/dbraw/zinc/32/85/56/823328556.db2.gz VJYSFWSJADJLSX-IEZWGBDMSA-N 1 0 397.485 4.285 20 0 GIADRO COc1ccc(OCC[NH2+][C@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)cc1 ZINC000015506875 818332187 /nfs/dbraw/zinc/33/21/87/818332187.db2.gz XFVCSPYLLZHUJH-QHCPKHFHSA-N 1 0 390.483 4.352 20 0 GIADRO Cc1c(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)cccc1-c1ccccn1 ZINC000122262327 823329153 /nfs/dbraw/zinc/32/91/53/823329153.db2.gz CRBHYBWBAHJJGQ-QFIPXVFZSA-N 1 0 399.538 4.351 20 0 GIADRO CCN(CC)C(=O)c1cccc(NC(=O)C[NH2+][C@H](c2ccccc2)C(C)C)c1 ZINC000015550299 818337574 /nfs/dbraw/zinc/33/75/74/818337574.db2.gz GRWOIIVVVQNEQT-QFIPXVFZSA-N 1 0 381.520 4.094 20 0 GIADRO C[C@H](C(=O)N[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000409863627 823329546 /nfs/dbraw/zinc/32/95/46/823329546.db2.gz CUDRHOIUFCCJND-ZOCIIQOWSA-N 1 0 376.422 4.023 20 0 GIADRO O=C(Nc1ccc(F)cc1)c1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000122272507 823331011 /nfs/dbraw/zinc/33/10/11/823331011.db2.gz BQFKTJBZVDEBSR-NJYVYQBISA-N 1 0 380.463 4.125 20 0 GIADRO CCN(CCC[NH+](C)C)C(=O)c1ccc(C)c(NC(=O)Nc2ccccc2)c1 ZINC000188939216 823330993 /nfs/dbraw/zinc/33/09/93/823330993.db2.gz JYKXQSFVTJVKMY-UHFFFAOYSA-N 1 0 382.508 4.053 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCc2ncc(-c3ccccc3Cl)o2)[C@H](C)C1 ZINC000122284331 823332461 /nfs/dbraw/zinc/33/24/61/823332461.db2.gz JGBAEOPXTLIXJQ-CRAIPNDOSA-N 1 0 389.927 4.116 20 0 GIADRO COc1ccccc1C[C@@H](C)CC(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000409875065 823332817 /nfs/dbraw/zinc/33/28/17/823332817.db2.gz KPTBYHUDLVEPNM-LJQANCHMSA-N 1 0 394.559 4.217 20 0 GIADRO CCN(CCC[NH+](C)C)C(=O)c1cc(C(C)C)nc2c1c(C)nn2C(C)(C)C ZINC000188954403 823333494 /nfs/dbraw/zinc/33/34/94/823333494.db2.gz KWSBDTSQZGLERP-UHFFFAOYSA-N 1 0 387.572 4.032 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1cc(Cl)nc(Cl)c1 ZINC000016102910 818393120 /nfs/dbraw/zinc/39/31/20/818393120.db2.gz VJIOHLFHUXPGIK-UHFFFAOYSA-N 1 0 378.303 4.304 20 0 GIADRO CCOC(=O)c1cnn(C2CC[NH+]([C@@H](C)CCc3cccc(F)c3)CC2)c1C ZINC000572408268 823333914 /nfs/dbraw/zinc/33/39/14/823333914.db2.gz PBICJEZKHFKNNU-INIZCTEOSA-N 1 0 387.499 4.166 20 0 GIADRO COc1ccccc1[C@@H](CNC(=S)Nc1ccc(C)cc1C)[NH+]1CCCC1 ZINC000016241301 818408910 /nfs/dbraw/zinc/40/89/10/818408910.db2.gz RDPFIMLFDAOPPK-HXUWFJFHSA-N 1 0 383.561 4.436 20 0 GIADRO COc1ccc(-c2cncc(C(=O)N3C[C@@H]4CCC[N@@H+]4Cc4ccccc43)c2)cc1 ZINC000122302922 823335001 /nfs/dbraw/zinc/33/50/01/823335001.db2.gz DJVXQYGRZXJQBI-QFIPXVFZSA-N 1 0 399.494 4.382 20 0 GIADRO COc1ccc([C@@H](CNC(=S)Nc2ccccc2OC)[NH+]2CCCCC2)cc1 ZINC000016318392 818423263 /nfs/dbraw/zinc/42/32/63/818423263.db2.gz NLUUFHZIUCBUNV-HXUWFJFHSA-N 1 0 399.560 4.217 20 0 GIADRO Cc1cccc(C)c1NC(=O)[C@H](C)OC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000016402413 818436213 /nfs/dbraw/zinc/43/62/13/818436213.db2.gz KIHFJIFUKXTPDM-IBGZPJMESA-N 1 0 394.515 4.473 20 0 GIADRO Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1F ZINC000016402400 818436279 /nfs/dbraw/zinc/43/62/79/818436279.db2.gz LIRHIYHTQLJVOB-QGZVFWFLSA-N 1 0 398.478 4.304 20 0 GIADRO Cc1ccc(Cl)c(OCC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000016506759 818451259 /nfs/dbraw/zinc/45/12/59/818451259.db2.gz UCYKEYYCXWNBJP-UHFFFAOYSA-N 1 0 386.923 4.330 20 0 GIADRO CC(C)Oc1ccc([C@H](CNC(=O)c2cc(Cl)ccc2F)[NH+](C)C)cc1 ZINC000572432762 823337920 /nfs/dbraw/zinc/33/79/20/823337920.db2.gz SQRGINXOTNRYQE-IBGZPJMESA-N 1 0 378.875 4.299 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc(-n2nc(C)cc2C)cc1 ZINC000016784000 818478122 /nfs/dbraw/zinc/47/81/22/818478122.db2.gz FAGIXZBEPJQIGI-UHFFFAOYSA-N 1 0 390.531 4.261 20 0 GIADRO C[C@@H](Cn1ccc2ccccc21)c1nc(-c2cccc(OCC[NH+](C)C)c2)no1 ZINC000572442747 823339799 /nfs/dbraw/zinc/33/97/99/823339799.db2.gz CFTFYRKLIAALBL-KRWDZBQOSA-N 1 0 390.487 4.435 20 0 GIADRO COCCC[NH+]1CCC(NC(=O)C(C)(C)c2ccc(-c3ccccc3)cc2)CC1 ZINC000122336373 823340245 /nfs/dbraw/zinc/34/02/45/823340245.db2.gz UBHSOINQMZESPF-UHFFFAOYSA-N 1 0 394.559 4.248 20 0 GIADRO CC[NH+](CC)CC1CCN([C@H](C)C(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000057847167 823340908 /nfs/dbraw/zinc/34/09/08/823340908.db2.gz ZTIDCOBYFUHLFL-CQSZACIVSA-N 1 0 386.367 4.374 20 0 GIADRO CN(C)c1cc(Cl)cc(Cl)c1C[NH2+][C@H]1CCO[C@]2(CCSC2)C1 ZINC000572447066 823341167 /nfs/dbraw/zinc/34/11/67/823341167.db2.gz VUDYWQMYXCNVRO-SUMWQHHRSA-N 1 0 375.365 4.204 20 0 GIADRO COc1ccc(CC[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)cc1 ZINC000017310427 818507760 /nfs/dbraw/zinc/50/77/60/818507760.db2.gz KRVKHWFWRPBSBK-UHFFFAOYSA-N 1 0 384.483 4.275 20 0 GIADRO COc1ccc(CC[NH2+]Cc2c(C)nn(Cc3ccccc3)c2Cl)cc1OC ZINC000017310890 818507946 /nfs/dbraw/zinc/50/79/46/818507946.db2.gz CWLLBKHELSOZIG-UHFFFAOYSA-N 1 0 399.922 4.243 20 0 GIADRO CSC1(CNC(=O)Nc2cc(-c3ccccc3)cnc2C)CC[NH+](C)CC1 ZINC000572447670 823341362 /nfs/dbraw/zinc/34/13/62/823341362.db2.gz WVAMUESQBZIZPC-UHFFFAOYSA-N 1 0 384.549 4.006 20 0 GIADRO O=S(=O)(c1ccc(C[NH2+]Cc2cccc3ccccc32)cc1)N1CCCCC1 ZINC000017317607 818508814 /nfs/dbraw/zinc/50/88/14/818508814.db2.gz IUDUQCCMZVHIMT-UHFFFAOYSA-N 1 0 394.540 4.304 20 0 GIADRO C[C@@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000176981704 823341766 /nfs/dbraw/zinc/34/17/66/823341766.db2.gz WQLRITANRDKFBF-RYUDHWBXSA-N 1 0 398.290 4.189 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)Nc2ccc(CNC(=O)OC(C)(C)C)cc2)c1 ZINC000122349197 823342179 /nfs/dbraw/zinc/34/21/79/823342179.db2.gz GDMHEZJXELCTQE-UHFFFAOYSA-N 1 0 398.507 4.417 20 0 GIADRO COc1cc(C2(C(=O)Nc3cccc4c3OCC[C@H]4[NH+](C)C)CC2)ccc1C ZINC000572454186 823342637 /nfs/dbraw/zinc/34/26/37/823342637.db2.gz IOPYIRAYDSHNEE-LJQANCHMSA-N 1 0 380.488 4.059 20 0 GIADRO O=S(=O)(Cc1ccc(Cl)c(F)c1)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000572468074 823345453 /nfs/dbraw/zinc/34/54/53/823345453.db2.gz CUXBBMOIKZXGDS-UHFFFAOYSA-N 1 0 396.915 4.059 20 0 GIADRO Cn1ncc(C[NH2+]C2(c3ccc(Br)cc3)CCC2)c1C(F)(F)F ZINC000176995710 823345507 /nfs/dbraw/zinc/34/55/07/823345507.db2.gz UQEVWHNSGAVDMA-UHFFFAOYSA-N 1 0 388.231 4.370 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2csc(C(F)(F)F)n2)CC1 ZINC000189034597 823345687 /nfs/dbraw/zinc/34/56/87/823345687.db2.gz UCLKFKSSRRRTQZ-LBPRGKRZSA-N 1 0 383.439 4.117 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(OC)cc(OC)c1)c1ccccc1Cl ZINC000018227287 818557820 /nfs/dbraw/zinc/55/78/20/818557820.db2.gz FQCIGLXWPQYINE-FQEVSTJZSA-N 1 0 390.911 4.170 20 0 GIADRO CC(C)n1c(Sc2nc(C3CCCCC3)ns2)nnc1[C@H]1CCC[NH2+]C1 ZINC000572472240 823346009 /nfs/dbraw/zinc/34/60/09/823346009.db2.gz XVULUFYBCYMCEU-AWEZNQCLSA-N 1 0 392.598 4.376 20 0 GIADRO C[C@@H](NC(=O)c1cnccc1Oc1ccccc1)[C@H](c1ccccc1)[NH+](C)C ZINC000409943380 823349553 /nfs/dbraw/zinc/34/95/53/823349553.db2.gz PJBNBGICJQANJT-VGOFRKELSA-N 1 0 375.472 4.295 20 0 GIADRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1sc(Cl)nc1C ZINC000177003687 823347158 /nfs/dbraw/zinc/34/71/58/823347158.db2.gz WPZKRHGGUBQRGS-UHFFFAOYSA-N 1 0 391.928 4.049 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)Cc3ccc(Cl)c(Cl)c3)cc2)CC1 ZINC000018892202 818579309 /nfs/dbraw/zinc/57/93/09/818579309.db2.gz IFKVYQFZSRFJKO-UHFFFAOYSA-N 1 0 392.330 4.317 20 0 GIADRO CCc1ccccc1NC(=S)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000018924972 818581100 /nfs/dbraw/zinc/58/11/00/818581100.db2.gz LWBHIFSITQYKBM-NRFANRHFSA-N 1 0 383.561 4.381 20 0 GIADRO CCOC(=O)c1ccc(NC(=S)NCc2ccc(C[NH+](CC)CC)cc2)cc1 ZINC000018944802 818582086 /nfs/dbraw/zinc/58/20/86/818582086.db2.gz UGIHKWPDEYWYON-UHFFFAOYSA-N 1 0 399.560 4.192 20 0 GIADRO C[C@@H](OC[C@@H](O)C[N@H+](C)Cc1cnn(-c2ccccc2)c1)c1ccc(Cl)cc1 ZINC000057948988 823349669 /nfs/dbraw/zinc/34/96/69/823349669.db2.gz DFXSAVFWPHZQKY-VGSWGCGISA-N 1 0 399.922 4.096 20 0 GIADRO O=C(c1csc(-c2ccc(Cl)cc2Cl)n1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000572487125 823348321 /nfs/dbraw/zinc/34/83/21/823348321.db2.gz XHRNSCSVTVBXGD-SFHVURJKSA-N 1 0 396.343 4.333 20 0 GIADRO CC1(C)CC(NC(=O)C2(Cc3ccc(C(F)(F)F)cc3)CC2)CC(C)(C)[NH2+]1 ZINC000189051836 823348911 /nfs/dbraw/zinc/34/89/11/823348911.db2.gz GDHRYBGIJAIVQF-UHFFFAOYSA-N 1 0 382.470 4.454 20 0 GIADRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2-n2ccnc2)c2ccccc21 ZINC000572491958 823349044 /nfs/dbraw/zinc/34/90/44/823349044.db2.gz AFNNUIFOVJUEJB-NHCUHLMSSA-N 1 0 375.472 4.144 20 0 GIADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccccc2-n2ccnc2)c2ccccc21 ZINC000572491959 823349142 /nfs/dbraw/zinc/34/91/42/823349142.db2.gz AFNNUIFOVJUEJB-RTWAWAEBSA-N 1 0 375.472 4.144 20 0 GIADRO Fc1cccc(-c2cnc(CN3C[C@H]4CC[N@H+](Cc5ccccc5)C[C@@H]4C3)o2)c1 ZINC000572530174 823355174 /nfs/dbraw/zinc/35/51/74/823355174.db2.gz MBCHVLSVJXXOIO-NHCUHLMSSA-N 1 0 391.490 4.435 20 0 GIADRO c1c(C[NH2+]CCCOC2CCCC2)c(-c2cccnc2)nn1-c1ccccc1 ZINC000057972675 823351583 /nfs/dbraw/zinc/35/15/83/823351583.db2.gz DUYFCLOGAXJMET-UHFFFAOYSA-N 1 0 376.504 4.373 20 0 GIADRO COc1ccc(Oc2cc(C[NH2+]C[C@@H](O)[C@@H](C)c3ccccc3)ccn2)cc1 ZINC000572511780 823351680 /nfs/dbraw/zinc/35/16/80/823351680.db2.gz RFQPTMRZVLKIFX-HTAPYJJXSA-N 1 0 378.472 4.137 20 0 GIADRO C[C@@H](c1ccc(F)cc1)[N@H+](C)C[C@H](O)COc1ccc(Br)cc1 ZINC000057974695 823352009 /nfs/dbraw/zinc/35/20/09/823352009.db2.gz IKWWKNJANRGWRI-GUYCJALGSA-N 1 0 382.273 4.021 20 0 GIADRO C[C@@H](CCOCc1ccccc1)NC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000572515594 823352148 /nfs/dbraw/zinc/35/21/48/823352148.db2.gz KBVQJMCJWJKARC-KRWDZBQOSA-N 1 0 380.488 4.220 20 0 GIADRO FC(F)(F)CN1CC[C@H]([NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000057975546 823352213 /nfs/dbraw/zinc/35/22/13/823352213.db2.gz GZSRCCYQIOIYIU-KRWDZBQOSA-N 1 0 399.844 4.040 20 0 GIADRO COc1cc(C[NH2+][C@@H]2CCN(CC(F)(F)F)C2)c(-c2ccccc2)cc1OC ZINC000057975731 823352340 /nfs/dbraw/zinc/35/23/40/823352340.db2.gz DFMAIFGEZBCEFZ-QGZVFWFLSA-N 1 0 394.437 4.097 20 0 GIADRO CCOc1ccccc1NC(=O)[C@H](SCC1CC[NH2+]CC1)c1ccccc1 ZINC000572518334 823352423 /nfs/dbraw/zinc/35/24/23/823352423.db2.gz NFXCEMWPNHWWBP-OAQYLSRUSA-N 1 0 384.545 4.498 20 0 GIADRO C[C@H](NC(=O)C[N@H+](C)[C@@H](C)c1ccccc1)c1ccc(Br)cc1 ZINC000020814476 818631947 /nfs/dbraw/zinc/63/19/47/818631947.db2.gz FYZWFVUKKNNXIM-GJZGRUSLSA-N 1 0 375.310 4.319 20 0 GIADRO CCOc1cc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)ccc1OC ZINC000177028368 823353362 /nfs/dbraw/zinc/35/33/62/823353362.db2.gz UJDKQOZKMXDTFQ-XLIONFOSSA-N 1 0 397.519 4.269 20 0 GIADRO CCOc1ccccc1OCCCC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000020903521 818638750 /nfs/dbraw/zinc/63/87/50/818638750.db2.gz HIACXHQJQNVMSP-UHFFFAOYSA-N 1 0 396.531 4.025 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@H]2CCN(Cc3ccc(C)cc3)C2=O)ccc1SC ZINC000189079453 823353559 /nfs/dbraw/zinc/35/35/59/823353559.db2.gz BHBCEHWQLUEZEG-APWZRJJASA-N 1 0 384.545 4.177 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@H]2CCN(Cc3ccc(C)cc3)C2=O)ccc1SC ZINC000189079406 823353736 /nfs/dbraw/zinc/35/37/36/823353736.db2.gz BHBCEHWQLUEZEG-LPHOPBHVSA-N 1 0 384.545 4.177 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc2ncsc2c1)c1cccc(OC)c1 ZINC000021070886 818651552 /nfs/dbraw/zinc/65/15/52/818651552.db2.gz ZWHQHEMYQYAROR-IBGZPJMESA-N 1 0 383.517 4.118 20 0 GIADRO O=C(NCc1coc2ccccc12)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460326940 823354731 /nfs/dbraw/zinc/35/47/31/823354731.db2.gz UQOVSDHSCWUUJT-PZJWPPBQSA-N 1 0 389.499 4.096 20 0 GIADRO O=C(NCc1coc2ccccc12)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460326941 823354864 /nfs/dbraw/zinc/35/48/64/823354864.db2.gz UQOVSDHSCWUUJT-TZIWHRDSSA-N 1 0 389.499 4.096 20 0 GIADRO COc1cc(C[NH2+][C@@H](C)CCC(C)C)cc(I)c1OC ZINC000409960976 823354850 /nfs/dbraw/zinc/35/48/50/823354850.db2.gz GUJRNKNYCIQQMO-LBPRGKRZSA-N 1 0 391.293 4.223 20 0 GIADRO O=C(c1ccncc1)N1CCC([NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000189058713 823349934 /nfs/dbraw/zinc/34/99/34/823349934.db2.gz QDAQORRFHCXPQN-UHFFFAOYSA-N 1 0 397.828 4.148 20 0 GIADRO CC(C)(CNC(=O)C(C)(C)c1csc(-c2cccs2)n1)C[NH+]1CCCC1 ZINC000409949234 823351193 /nfs/dbraw/zinc/35/11/93/823351193.db2.gz ALVCQZTVIULBHA-UHFFFAOYSA-N 1 0 391.606 4.387 20 0 GIADRO O=C(NCc1ccco1)c1cccc(C[NH2+]Cc2cccc(OC(F)F)c2)c1 ZINC000057965190 823351251 /nfs/dbraw/zinc/35/12/51/823351251.db2.gz OMAZVVSIULKTFZ-UHFFFAOYSA-N 1 0 386.398 4.101 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cnc2onc(C(C)C)c2c1 ZINC000021410874 818684486 /nfs/dbraw/zinc/68/44/86/818684486.db2.gz YSMPBPAOZFGCBA-UHFFFAOYSA-N 1 0 380.492 4.118 20 0 GIADRO C[C@@H](Oc1ccccc1NC(=O)N1CCC[C@H]1C[NH+]1CCCC1)C(F)(F)F ZINC000572559225 823361004 /nfs/dbraw/zinc/36/10/04/823361004.db2.gz APFVWCURHAACGK-CABCVRRESA-N 1 0 385.430 4.108 20 0 GIADRO CCS[C@H]1CC[C@H](N(C)C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000122457238 823357239 /nfs/dbraw/zinc/35/72/39/823357239.db2.gz BCLZKICJYGCEPD-SFTDATJTSA-N 1 0 389.609 4.275 20 0 GIADRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)c3cc(-c4cccc(F)c4)no3)cccc21 ZINC000572544040 823357939 /nfs/dbraw/zinc/35/79/39/823357939.db2.gz LKHKVWHMXCNSAK-GOSISDBHSA-N 1 0 381.407 4.118 20 0 GIADRO COCc1cccc(NC(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000058057604 823358042 /nfs/dbraw/zinc/35/80/42/823358042.db2.gz QQUJLWAFWWMWLV-GOSISDBHSA-N 1 0 381.520 4.387 20 0 GIADRO C[C@H](C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)[C@H]1OCCc2sccc21 ZINC000572546111 823358668 /nfs/dbraw/zinc/35/86/68/823358668.db2.gz LYJPQFFPOURAIN-BBTUJRGHSA-N 1 0 390.593 4.113 20 0 GIADRO Fc1cccc(Cl)c1CN1CCC([NH2+]Cc2ccnc(OC(F)F)c2)CC1 ZINC000572547978 823358847 /nfs/dbraw/zinc/35/88/47/823358847.db2.gz OUWFBFYEWYLWFL-UHFFFAOYSA-N 1 0 399.844 4.230 20 0 GIADRO COc1ccc(NC(=O)NCC(C)(C)[NH+]2CCCCC2)cc1OC1CCCC1 ZINC000058091670 823361406 /nfs/dbraw/zinc/36/14/06/823361406.db2.gz VPNHPNXQJXLWLF-UHFFFAOYSA-N 1 0 389.540 4.403 20 0 GIADRO CCCOc1c(Cl)cc(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1OC ZINC000021869716 818750263 /nfs/dbraw/zinc/75/02/63/818750263.db2.gz MVMWZSJANWONRI-GOSISDBHSA-N 1 0 390.911 4.170 20 0 GIADRO CS[C@H]1CN(Cc2coc(-c3cccc(Cl)c3)n2)C[C@@H]1[NH+]1CCCC1 ZINC000460353188 823361646 /nfs/dbraw/zinc/36/16/46/823361646.db2.gz FOAAQAPRNSVDLQ-ROUUACIJSA-N 1 0 377.941 4.007 20 0 GIADRO C[C@H](Oc1ccccc1NC(=O)N1CCC[C@H]1C[NH+]1CCCC1)C(F)(F)F ZINC000572559226 823360847 /nfs/dbraw/zinc/36/08/47/823360847.db2.gz APFVWCURHAACGK-GJZGRUSLSA-N 1 0 385.430 4.108 20 0 GIADRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cc2c(cc1Cl)OCCCO2 ZINC000460355601 823362330 /nfs/dbraw/zinc/36/23/30/823362330.db2.gz WVMPCYLXEDMQPD-HOCLYGCPSA-N 1 0 380.916 4.244 20 0 GIADRO O=C(CC[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)Nc1cccc(Cl)c1 ZINC000022199272 818782701 /nfs/dbraw/zinc/78/27/01/818782701.db2.gz IQNIHYCMKDGWTP-SFHVURJKSA-N 1 0 386.879 4.277 20 0 GIADRO CC(C)C[C@H](CNC(=O)N1CCC(F)(F)[C@H](C)C1)[NH2+][C@H](C)c1ccccc1 ZINC000460362923 823364145 /nfs/dbraw/zinc/36/41/45/823364145.db2.gz HAZPHWBHNLCVST-ZHALLVOQSA-N 1 0 381.511 4.439 20 0 GIADRO Cc1noc(C2CCC([NH2+]C[C@H](C)Oc3ccccc3Br)CC2)n1 ZINC000572578351 823364783 /nfs/dbraw/zinc/36/47/83/823364783.db2.gz PTOVYEDZJQWGFA-GRTSSRMGSA-N 1 0 394.313 4.224 20 0 GIADRO CC[N@@H+]1C[C@H](C)N(C(=O)C(C)(C)c2csc(-c3cccs3)n2)C[C@@H]1C ZINC000409991631 823364790 /nfs/dbraw/zinc/36/47/90/823364790.db2.gz JKPCPCHYFXERLO-KBPBESRZSA-N 1 0 377.579 4.090 20 0 GIADRO 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 823364822 /nfs/dbraw/zinc/36/48/22/823364822.db2.gz VJZFDVQRHQUHKB-YSHGAJCASA-N 1 0 397.485 4.412 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)C(C)(C)COCc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000409993129 823365233 /nfs/dbraw/zinc/36/52/33/823365233.db2.gz NHRXFHFOKASNPI-NFBKMPQASA-N 1 0 394.559 4.399 20 0 GIADRO Cc1c(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)oc2c1C(=O)CCC2 ZINC000409993773 823365340 /nfs/dbraw/zinc/36/53/40/823365340.db2.gz QWWLQHKJKBXWPB-UHFFFAOYSA-N 1 0 394.515 4.413 20 0 GIADRO Cc1ccc(-c2nc(CC(=O)N(C)CCC[N@H+](C)Cc3ccco3)cs2)cc1 ZINC000572589482 823366142 /nfs/dbraw/zinc/36/61/42/823366142.db2.gz YPUFKEDPKULVEU-UHFFFAOYSA-N 1 0 397.544 4.235 20 0 GIADRO COCc1cc([C@@H](C)[NH2+]Cc2cccc(NC(=O)C3CCC3)c2)ccc1OC ZINC000122487779 823361706 /nfs/dbraw/zinc/36/17/06/823361706.db2.gz HCLJNOLLFMBVFG-MRXNPFEDSA-N 1 0 382.504 4.431 20 0 GIADRO C[C@H](C[NH2+]Cc1cn2ccc(Br)cc2n1)COCc1ccccc1 ZINC000572566517 823361883 /nfs/dbraw/zinc/36/18/83/823361883.db2.gz OSWCPXLGCMOUJX-OAHLLOKOSA-N 1 0 388.309 4.039 20 0 GIADRO Nc1c(Br)cc(Br)cc1C[NH2+]C[C@H]1CCCSC1 ZINC000572564135 823361889 /nfs/dbraw/zinc/36/18/89/823361889.db2.gz ZTNRLNBHKAPQKE-SECBINFHSA-N 1 0 394.176 4.027 20 0 GIADRO CCc1ccc([C@@H](CNC(=O)CCC(=O)c2cc(C)sc2C)[NH+](C)C)cc1 ZINC000022684392 818843841 /nfs/dbraw/zinc/84/38/41/818843841.db2.gz KKBRHRKCOVFRMK-HXUWFJFHSA-N 1 0 386.561 4.309 20 0 GIADRO CCOc1cccc(/C=N/C[C@H](c2ccc(OC)cc2)[NH+]2CCCCC2)c1O ZINC000022729172 818851223 /nfs/dbraw/zinc/85/12/23/818851223.db2.gz LZHQEDMXHUMOJM-KCOUNZPASA-N 1 0 382.504 4.446 20 0 GIADRO CCOc1ccc(O)c(/C=N/C[C@H](c2ccc(OC)cc2)[NH+]2CCCCC2)c1 ZINC000022729152 818851455 /nfs/dbraw/zinc/85/14/55/818851455.db2.gz YFUVFAGPHWFCNR-ZHNJOBQTSA-N 1 0 382.504 4.446 20 0 GIADRO Cc1cccc(NC(=O)N2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1Cl ZINC000177089424 823368319 /nfs/dbraw/zinc/36/83/19/823368319.db2.gz BIPRCLQMFRKFGM-CALCHBBNSA-N 1 0 393.959 4.392 20 0 GIADRO COc1cc(-c2noc(CCCCC[NH2+][C@@H]3CCC34CCCC4)n2)ccc1O ZINC000189166018 823368744 /nfs/dbraw/zinc/36/87/44/823368744.db2.gz UHKRTBAASPYSPL-LJQANCHMSA-N 1 0 385.508 4.476 20 0 GIADRO CC(C)(CO)[C@H]([NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1)C1CC1 ZINC000572609987 823368841 /nfs/dbraw/zinc/36/88/41/823368841.db2.gz DWLMVSNJPSRPMW-HXUWFJFHSA-N 1 0 386.923 4.479 20 0 GIADRO C[NH+](C)CCN(C(=O)Nc1cc(Br)c(F)cc1F)C1CCCC1 ZINC000189165453 823368836 /nfs/dbraw/zinc/36/88/36/823368836.db2.gz UZUPUJYUCPNSFF-UHFFFAOYSA-N 1 0 390.272 4.065 20 0 GIADRO C[NH+](C)CCCOC1CCN(C(=O)c2sc3ccccc3c2Cl)CC1 ZINC000177090326 823368942 /nfs/dbraw/zinc/36/89/42/823368942.db2.gz BDWKBLCJNPGZGE-UHFFFAOYSA-N 1 0 380.941 4.128 20 0 GIADRO Clc1cccc(-c2noc(CN3CCC[N@H+](Cc4ccccc4)CC3)n2)c1 ZINC000022807352 818863061 /nfs/dbraw/zinc/86/30/61/818863061.db2.gz BAUBGLXBCJTIHS-UHFFFAOYSA-N 1 0 382.895 4.098 20 0 GIADRO c1c(C[NH2+]C2CCN(C3CC3)CC2)c(-c2ccccc2)nn1Cc1ccccc1 ZINC000022820790 818864206 /nfs/dbraw/zinc/86/42/06/818864206.db2.gz YCBLFLYSIJODPE-UHFFFAOYSA-N 1 0 386.543 4.315 20 0 GIADRO Cc1cccc(C(C)C)c1NC(=O)CN1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000022850976 818867368 /nfs/dbraw/zinc/86/73/68/818867368.db2.gz ACIFIDBWAPIVQL-UHFFFAOYSA-N 1 0 397.538 4.404 20 0 GIADRO CCSc1ccccc1C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000022870055 818868557 /nfs/dbraw/zinc/86/85/57/818868557.db2.gz JWMVVQYOHCPJST-HXUWFJFHSA-N 1 0 384.545 4.374 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(NC(=O)C3CCCCC3)c2)[C@H](C)C1 ZINC000122542170 823369606 /nfs/dbraw/zinc/36/96/06/823369606.db2.gz GDYWTYYHMPXJQU-DYESRHJHSA-N 1 0 385.552 4.008 20 0 GIADRO Cc1ccc(-n2ncc(C(=O)N[C@H]3C[C@H](C)[N@@H+](C4CC4)C3)c2C2CC2)cc1Cl ZINC000177094209 823369820 /nfs/dbraw/zinc/36/98/20/823369820.db2.gz UFALWKPOECLBJF-HOCLYGCPSA-N 1 0 398.938 4.067 20 0 GIADRO C[N@H+](Cc1ccccc1N[C@H]1CCN(CC(F)(F)F)C1=O)C1CCCCC1 ZINC000177095309 823370079 /nfs/dbraw/zinc/37/00/79/823370079.db2.gz RLLGMJZNFOKFQB-SFHVURJKSA-N 1 0 383.458 4.026 20 0 GIADRO Brc1cc2c(cc1C[NH+]1CCC([C@@H]3CCCO3)CC1)OCCCO2 ZINC000189174814 823370336 /nfs/dbraw/zinc/37/03/36/823370336.db2.gz PPGMQYGXPQOMBZ-KRWDZBQOSA-N 1 0 396.325 4.001 20 0 GIADRO COc1cccc(CCC(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)c1 ZINC000022966769 818881205 /nfs/dbraw/zinc/88/12/05/818881205.db2.gz BDPUPRGBVVBWCO-HXUWFJFHSA-N 1 0 386.561 4.279 20 0 GIADRO O=C(NCC1CC[NH+](Cc2ccncc2)CC1)c1cc(Cl)ccc1Cl ZINC000023015877 818887560 /nfs/dbraw/zinc/88/75/60/818887560.db2.gz IMJWEMOCSBLHFO-UHFFFAOYSA-N 1 0 378.303 4.030 20 0 GIADRO COc1cc(Br)ccc1C[NH2+]Cc1cn(C)nc1-c1cccs1 ZINC000189184566 823371768 /nfs/dbraw/zinc/37/17/68/823371768.db2.gz JRAGYYHMNYTPGF-UHFFFAOYSA-N 1 0 392.322 4.210 20 0 GIADRO CC[NH+](CC)CCOc1ccc(CNC(=O)C2(c3ccccc3)CCC2)cc1 ZINC000058259030 823372325 /nfs/dbraw/zinc/37/23/25/823372325.db2.gz SWHYUWINFDQITA-UHFFFAOYSA-N 1 0 380.532 4.145 20 0 GIADRO O=C(COc1ccc(Cl)c2ccccc12)N1CCC([NH+]2CCCCC2)CC1 ZINC000058269026 823372853 /nfs/dbraw/zinc/37/28/53/823372853.db2.gz HUDXEWQDJXDBQP-UHFFFAOYSA-N 1 0 386.923 4.349 20 0 GIADRO Brc1ccccc1-c1cnc(C[NH+]2CCC([C@@H]3CCCO3)CC2)o1 ZINC000189223546 823378396 /nfs/dbraw/zinc/37/83/96/823378396.db2.gz OQDVXOFBMMUCAT-KRWDZBQOSA-N 1 0 391.309 4.495 20 0 GIADRO O[C@H](COCc1cccs1)C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000023410225 818936145 /nfs/dbraw/zinc/93/61/45/818936145.db2.gz KCFKPPUWGIVVIO-INIZCTEOSA-N 1 0 388.558 4.115 20 0 GIADRO Cc1ccc(CC[C@H](C)NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)o1 ZINC000460394212 823374833 /nfs/dbraw/zinc/37/48/33/823374833.db2.gz MRANESMLSJLGDB-BWAGFHJFSA-N 1 0 395.547 4.073 20 0 GIADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)CCCc2ccc(Br)s2)C1 ZINC000122573123 823375009 /nfs/dbraw/zinc/37/50/09/823375009.db2.gz IUBAFHCMFLEAEM-AWEZNQCLSA-N 1 0 387.387 4.070 20 0 GIADRO Cc1cc(Cl)ccc1NC(=O)CN1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000572651929 823375537 /nfs/dbraw/zinc/37/55/37/823375537.db2.gz ZNRMTDSGOLROGP-WOJBJXKFSA-N 1 0 397.950 4.041 20 0 GIADRO O=C(N1CCC[C@@H]2CCC[C@H]21)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000460395944 823375626 /nfs/dbraw/zinc/37/56/26/823375626.db2.gz YDKFLESYXPXGHQ-NSHGMRRFSA-N 1 0 380.454 4.232 20 0 GIADRO Cc1nc(COC(C)(C)C)oc1C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000572650880 823375784 /nfs/dbraw/zinc/37/57/84/823375784.db2.gz BHCZLYGKHWDARX-SFHVURJKSA-N 1 0 391.556 4.026 20 0 GIADRO COc1ccccc1COc1cccc(NC(=O)N[C@H](C)C[N@H+](C)C(C)C)c1C ZINC000572652765 823375966 /nfs/dbraw/zinc/37/59/66/823375966.db2.gz LFDIJUZCGKHOFR-QGZVFWFLSA-N 1 0 399.535 4.433 20 0 GIADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000058299126 823376004 /nfs/dbraw/zinc/37/60/04/823376004.db2.gz ODDMDPYVMMRXRP-YWTNHNAXSA-N 1 0 381.545 4.089 20 0 GIADRO CC1(C)CN(c2nnc([C@H]3CCCS3)n2C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000572655924 823376795 /nfs/dbraw/zinc/37/67/95/823376795.db2.gz LDDKJIDWKMEBNP-LJQANCHMSA-N 1 0 397.592 4.282 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cc2c(s1)CC[C@@H](C)C2 ZINC000023657437 818971798 /nfs/dbraw/zinc/97/17/98/818971798.db2.gz KUYCHFXMIWPUNW-OAHLLOKOSA-N 1 0 383.561 4.185 20 0 GIADRO CC(=O)CCc1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2cccc3ccccc32)cc1 ZINC000023676543 818972513 /nfs/dbraw/zinc/97/25/13/818972513.db2.gz FTKGFDUVNAHBDT-KNQAVFIVSA-N 1 0 391.511 4.452 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(Cl)c(Cl)[nH]3)c(C)c2)CC1 ZINC000023694143 818975204 /nfs/dbraw/zinc/97/52/04/818975204.db2.gz JBWJXFMXBUYJNM-UHFFFAOYSA-N 1 0 381.307 4.024 20 0 GIADRO O=C(CCC(=O)c1ccc2c(c1)CCC2)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000023741700 818977930 /nfs/dbraw/zinc/97/79/30/818977930.db2.gz IHLHBYZOIRKKFT-HSZRJFAPSA-N 1 0 390.527 4.092 20 0 GIADRO O=C(CCC(=O)c1ccc2c(c1)CCC2)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000023741705 818977983 /nfs/dbraw/zinc/97/79/83/818977983.db2.gz IHLHBYZOIRKKFT-QHCPKHFHSA-N 1 0 390.527 4.092 20 0 GIADRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)CSCc3ccncc3)cc2)C1 ZINC000058326170 823378897 /nfs/dbraw/zinc/37/88/97/823378897.db2.gz NZWPQMAHSFNFGM-OALUTQOASA-N 1 0 397.588 4.109 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cc2ccc(F)cc2s1 ZINC000023793164 818985074 /nfs/dbraw/zinc/98/50/74/818985074.db2.gz WWAXZRJCWRBHKX-UHFFFAOYSA-N 1 0 383.492 4.353 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1c[nH]c(=S)n1-c1ccccc1 ZINC000058323352 823378866 /nfs/dbraw/zinc/37/88/66/823378866.db2.gz CFCLSKOZSWGDLG-QGZVFWFLSA-N 1 0 396.516 4.085 20 0 GIADRO COCCC1(C[NH2+]CCC(=O)Nc2cc(Cl)ccc2OC)CCCCC1 ZINC000189266802 823383793 /nfs/dbraw/zinc/38/37/93/823383793.db2.gz GUVGVSWUIFZAGF-UHFFFAOYSA-N 1 0 382.932 4.254 20 0 GIADRO CC(C)c1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1CCc1ccccc1 ZINC000460410994 823380152 /nfs/dbraw/zinc/38/01/52/823380152.db2.gz GYCIYNPRXHJLPE-UHFFFAOYSA-N 1 0 381.568 4.099 20 0 GIADRO O=C(c1ccc(-c2ccc(Cl)cc2)s1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000024086276 819021728 /nfs/dbraw/zinc/02/17/28/819021728.db2.gz KXNWNZLEQVABBH-UHFFFAOYSA-N 1 0 383.904 4.426 20 0 GIADRO C[C@H]([NH2+]C1(CNC(=O)CCCc2nc(C3CC3)no2)CCCC1)c1ccccc1 ZINC000122625338 823383912 /nfs/dbraw/zinc/38/39/12/823383912.db2.gz QXOPQARQNIRTKN-KRWDZBQOSA-N 1 0 396.535 4.050 20 0 GIADRO Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000024189285 819030885 /nfs/dbraw/zinc/03/08/85/819030885.db2.gz FORZOFMERQMOFR-KRWDZBQOSA-N 1 0 386.923 4.328 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)c1ccc2ccccc2n1 ZINC000177908573 823545055 /nfs/dbraw/zinc/54/50/55/823545055.db2.gz WYRHFLALSOMUSM-CYBMUJFWSA-N 1 0 384.277 4.287 20 0 GIADRO C[C@H]([NH2+]Cc1cccc2c1OCCCO2)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000122616958 823382203 /nfs/dbraw/zinc/38/22/03/823382203.db2.gz UEKMRMYPEQLANG-FDDCHVKYSA-N 1 0 397.515 4.263 20 0 GIADRO COc1ccc(-c2cnc(C[N@H+](CCc3ccccc3)[C@H]3CCOC3)o2)cc1 ZINC000177146454 823382307 /nfs/dbraw/zinc/38/23/07/823382307.db2.gz AJDLBUFQQRZTIO-FQEVSTJZSA-N 1 0 378.472 4.184 20 0 GIADRO Cc1cc(C[N@@H+]2CC[C@H](OCc3ccncc3)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000572683553 823382465 /nfs/dbraw/zinc/38/24/65/823382465.db2.gz JHICDGKPWDGOBR-NRFANRHFSA-N 1 0 394.906 4.292 20 0 GIADRO CCOC1CC(CC[NH2+][C@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)C1 ZINC000189261229 823382917 /nfs/dbraw/zinc/38/29/17/823382917.db2.gz JVGFBUOADYVHCV-LRYGQEGESA-N 1 0 379.566 4.259 20 0 GIADRO Cc1ccc2cc(C[NH2+][C@H](C)c3ccc(OCC(=O)NC4CC4)cc3)ccc2n1 ZINC000189261738 823382971 /nfs/dbraw/zinc/38/29/71/823382971.db2.gz XMJHVVIIINYVGF-QGZVFWFLSA-N 1 0 389.499 4.051 20 0 GIADRO COc1cc(C[NH2+]Cc2cn(C)nc2-c2ccc(F)cc2)ccc1OC(F)F ZINC000572691653 823384364 /nfs/dbraw/zinc/38/43/64/823384364.db2.gz YVCDJALOQFKRSB-UHFFFAOYSA-N 1 0 391.393 4.126 20 0 GIADRO C[C@H](Oc1cnc2ccccc2c1)C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000572702272 823385640 /nfs/dbraw/zinc/38/56/40/823385640.db2.gz ABLFAPYCXICTQT-BTYIYWSLSA-N 1 0 397.906 4.075 20 0 GIADRO C[C@@H](NC(=O)Nc1ccc2c(c1)C[NH2+]CCO2)c1cccc(Cl)c1Cl ZINC000572703803 823385957 /nfs/dbraw/zinc/38/59/57/823385957.db2.gz NIECIJDCDNYSPK-LLVKDONJSA-N 1 0 380.275 4.358 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)COc2cccc(C(C)(C)C)c2)CC1 ZINC000058400128 823386151 /nfs/dbraw/zinc/38/61/51/823386151.db2.gz UTTAVTATQWKRKX-UHFFFAOYSA-N 1 0 394.559 4.452 20 0 GIADRO COc1ccc(SCCC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000058399951 823386208 /nfs/dbraw/zinc/38/62/08/823386208.db2.gz FVHHBSFETOLFSR-UHFFFAOYSA-N 1 0 398.572 4.267 20 0 GIADRO Cc1cccc2nc(C3CCN(C(=O)NC[C@@H]4CC[N@@H+](CC(C)C)C4)CC3)oc21 ZINC000189285095 823386840 /nfs/dbraw/zinc/38/68/40/823386840.db2.gz DZIHDWKFUWARPJ-SFHVURJKSA-N 1 0 398.551 4.003 20 0 GIADRO COc1ccc2[nH]c(C(=O)N(C)[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)cc2c1 ZINC000189314335 823392122 /nfs/dbraw/zinc/39/21/22/823392122.db2.gz XNNMSBUCTOZXAA-FXAWDEMLSA-N 1 0 391.515 4.302 20 0 GIADRO O=C(CCC(=O)c1ccc2ccccc2c1)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000572749902 823392378 /nfs/dbraw/zinc/39/23/78/823392378.db2.gz JSANJJPOCGCQDF-UHFFFAOYSA-N 1 0 393.512 4.365 20 0 GIADRO Cc1c([C@@H](C)[NH2+]CCc2ccc(Cl)nc2)nnn1-c1cccc(Cl)c1 ZINC000122677782 823392474 /nfs/dbraw/zinc/39/24/74/823392474.db2.gz HSIZYTHZZHHXIK-GFCCVEGCSA-N 1 0 376.291 4.171 20 0 GIADRO Cc1ccccc1OCc1nnc(SC[C@@H](C)[NH+](C)C)n1-c1ccccc1 ZINC000460448116 823392770 /nfs/dbraw/zinc/39/27/70/823392770.db2.gz GTFCLFHHUTXSPN-QGZVFWFLSA-N 1 0 382.533 4.197 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(N2CCCC2)nc1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000122679001 823393050 /nfs/dbraw/zinc/39/30/50/823393050.db2.gz LAJFSBNZMCRXLH-YADARESESA-N 1 0 395.547 4.097 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(N2CCCC2)nc1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000122679215 823393192 /nfs/dbraw/zinc/39/31/92/823393192.db2.gz LAJFSBNZMCRXLH-NTKDMRAZSA-N 1 0 395.547 4.097 20 0 GIADRO Fc1cc([C@H]2OCC[C@@H]2[NH2+]CCc2nc(-c3ccccc3)no2)ccc1Cl ZINC000572727396 823389704 /nfs/dbraw/zinc/38/97/04/823389704.db2.gz XMUHLHZSDHZPNR-PKOBYXMFSA-N 1 0 387.842 4.191 20 0 GIADRO Cc1oc(-c2ccccc2)c(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)c1C ZINC000189300437 823390002 /nfs/dbraw/zinc/39/00/02/823390002.db2.gz IQKLDXJTKHFGMX-UHFFFAOYSA-N 1 0 389.499 4.353 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1)C(=O)NCc1cccs1 ZINC000122683028 823394119 /nfs/dbraw/zinc/39/41/19/823394119.db2.gz FAZDSFUYAVBOBC-QWHCGFSZSA-N 1 0 386.439 4.045 20 0 GIADRO C[NH+]1CCC(Nc2ccccc2NC(=O)c2cc(F)cc3cccnc32)CC1 ZINC000122709800 823398417 /nfs/dbraw/zinc/39/84/17/823398417.db2.gz UYTGZYRMDJHXDS-UHFFFAOYSA-N 1 0 378.451 4.132 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)CC[N@@H+]1C ZINC000122685613 823394516 /nfs/dbraw/zinc/39/45/16/823394516.db2.gz WBZNFSKEPZQQPS-GXTWGEPZSA-N 1 0 399.482 4.189 20 0 GIADRO C[C@H](NCc1cc(O)cc(C(F)(F)F)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000572767507 823395470 /nfs/dbraw/zinc/39/54/70/823395470.db2.gz OAZCCKBWYNKGIS-MAUKXSAKSA-N 1 0 378.438 4.411 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)N2C[C@H](C)O[C@@H](c3ccccc3)C2)c1 ZINC000410117469 823395722 /nfs/dbraw/zinc/39/57/22/823395722.db2.gz JAOULRGFBWWMHJ-WMZHIEFXSA-N 1 0 395.547 4.200 20 0 GIADRO Cc1ccn(C)c1C(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000189337260 823396290 /nfs/dbraw/zinc/39/62/90/823396290.db2.gz MYWHWNQXFSPOAG-UHFFFAOYSA-N 1 0 393.453 4.089 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N[C@@H]1CCc2sc(Cl)cc21 ZINC000572774606 823396800 /nfs/dbraw/zinc/39/68/00/823396800.db2.gz SERSKUOFPNKIFJ-KGLIPLIRSA-N 1 0 379.913 4.118 20 0 GIADRO COc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000122698002 823396762 /nfs/dbraw/zinc/39/67/62/823396762.db2.gz XPKYDEBFICDYSL-UONOGXRCSA-N 1 0 396.409 4.314 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1cc(Br)ccc1Cl)C1CCCCC1 ZINC000058475926 823396957 /nfs/dbraw/zinc/39/69/57/823396957.db2.gz QNZGSZLUZUPRCI-MRXNPFEDSA-N 1 0 387.749 4.343 20 0 GIADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)Nc1ncc(-c2ccc(Cl)cc2)s1 ZINC000572777039 823397157 /nfs/dbraw/zinc/39/71/57/823397157.db2.gz ZJZBWDQOCOTENX-QGZVFWFLSA-N 1 0 393.940 4.195 20 0 GIADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)Nc1ncc(C(F)(F)F)s1 ZINC000572776047 823397197 /nfs/dbraw/zinc/39/71/97/823397197.db2.gz XJQYIANYZTXYAE-JTQLQIEISA-N 1 0 390.456 4.182 20 0 GIADRO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000122702366 823397338 /nfs/dbraw/zinc/39/73/38/823397338.db2.gz NUWODQMLIFYHJP-HOTGVXAUSA-N 1 0 391.508 4.128 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1ocnc1-c1ccccc1 ZINC000572810171 823403613 /nfs/dbraw/zinc/40/36/13/823403613.db2.gz IHGVIXGTIMSXSG-UHFFFAOYSA-N 1 0 375.472 4.258 20 0 GIADRO CC(C)C(=O)NCCC[NH2+][C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000572797099 823400499 /nfs/dbraw/zinc/40/04/99/823400499.db2.gz HOOJFCDULMCCLL-KRWDZBQOSA-N 1 0 392.341 4.060 20 0 GIADRO C[C@@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C(F)(F)F)cc1 ZINC000410146722 823401221 /nfs/dbraw/zinc/40/12/21/823401221.db2.gz BQQPFSKLVDBLKO-DNVCBOLYSA-N 1 0 391.437 4.340 20 0 GIADRO CC[NH+](CC)CCNC(=O)c1cc(-c2ccc(C)s2)nc2c1cnn2C(C)C ZINC000058505671 823401718 /nfs/dbraw/zinc/40/17/18/823401718.db2.gz NSRWNKWVKZBYQG-UHFFFAOYSA-N 1 0 399.564 4.121 20 0 GIADRO COc1ccccc1C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000058525684 823403918 /nfs/dbraw/zinc/40/39/18/823403918.db2.gz UNFLHGVLMLJPOC-UZLBHIALSA-N 1 0 386.923 4.233 20 0 GIADRO Cc1ccc2ncc(C[NH2+][C@H](C)[C@@H](OC3CCOCC3)c3ccccc3)n2c1 ZINC000122733630 823402351 /nfs/dbraw/zinc/40/23/51/823402351.db2.gz GFGBNSPIVWYSRQ-WZONZLPQSA-N 1 0 379.504 4.058 20 0 GIADRO Cc1ccc2ncc(C[NH2+][C@@H](C)[C@@H](OC3CCOCC3)c3ccccc3)n2c1 ZINC000122733430 823402500 /nfs/dbraw/zinc/40/25/00/823402500.db2.gz GFGBNSPIVWYSRQ-FDDCHVKYSA-N 1 0 379.504 4.058 20 0 GIADRO O=C(CCc1ccoc1)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000177221224 823402698 /nfs/dbraw/zinc/40/26/98/823402698.db2.gz RJFLZWUOSDUJCF-UHFFFAOYSA-N 1 0 383.492 4.056 20 0 GIADRO COc1ccc(NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)c(OC)c1 ZINC000058522775 823403484 /nfs/dbraw/zinc/40/34/84/823403484.db2.gz KRDBOZJGZFOFQC-QGZVFWFLSA-N 1 0 397.519 4.257 20 0 GIADRO C[N@@H+]1CC[C@H](CNC(=O)Nc2cccnc2Oc2ccc(Cl)cc2Cl)C1 ZINC000572815188 823404618 /nfs/dbraw/zinc/40/46/18/823404618.db2.gz LATNBLQMOOHEPQ-GFCCVEGCSA-N 1 0 395.290 4.254 20 0 GIADRO CCOC(=O)N1CCC([C@@H](C)[NH2+]Cc2csc(-c3ccsc3)n2)CC1 ZINC000189380982 823404966 /nfs/dbraw/zinc/40/49/66/823404966.db2.gz LLNWUCGAIMTWPK-CYBMUJFWSA-N 1 0 379.551 4.218 20 0 GIADRO COc1cccc([C@H](CNC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)[NH+](C)C)c1 ZINC000410156952 823405084 /nfs/dbraw/zinc/40/50/84/823405084.db2.gz VNDKLFQCOCQTCM-AVRDEDQJSA-N 1 0 398.547 4.313 20 0 GIADRO Cc1oc(-c2cccs2)nc1CC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177230437 823405486 /nfs/dbraw/zinc/40/54/86/823405486.db2.gz MNJRQENYVODVHK-UHFFFAOYSA-N 1 0 387.549 4.167 20 0 GIADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccc(-n2cc[nH]c2=S)cc1 ZINC000177231127 823405570 /nfs/dbraw/zinc/40/55/70/823405570.db2.gz LVCDCWAOOUQEQQ-UHFFFAOYSA-N 1 0 384.549 4.062 20 0 GIADRO CCOc1cc2c(cc1NC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)O[C@@H](C)C2 ZINC000058536386 823405839 /nfs/dbraw/zinc/40/58/39/823405839.db2.gz DXXVJXPWJGTIOG-IRXDYDNUSA-N 1 0 389.540 4.185 20 0 GIADRO CC[C@@H]1CN(c2cc(C(F)F)nc3ccc(Cl)cc32)CC[N@@H+]1C[C@@H](C)O ZINC000572828904 823406758 /nfs/dbraw/zinc/40/67/58/823406758.db2.gz BNORBOAMHAPCFO-TZMCWYRMSA-N 1 0 383.870 4.107 20 0 GIADRO CC(C)C[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1cccs1 ZINC000177240123 823407628 /nfs/dbraw/zinc/40/76/28/823407628.db2.gz GIPXOSTUCBEFJQ-MAUKXSAKSA-N 1 0 380.579 4.436 20 0 GIADRO C[NH+]1CCC(CCNC(=O)N2CCC[C@@H]2c2ccccc2Br)CC1 ZINC000122761275 823407667 /nfs/dbraw/zinc/40/76/67/823407667.db2.gz IOGYMPOTMOAZTQ-GOSISDBHSA-N 1 0 394.357 4.028 20 0 GIADRO Cc1noc2nc(C(C)C)cc(C(=O)NC3CC[NH+](C4CCCCC4)CC3)c12 ZINC000177241136 823408048 /nfs/dbraw/zinc/40/80/48/823408048.db2.gz XQOSHGQYFPOUCP-UHFFFAOYSA-N 1 0 384.524 4.182 20 0 GIADRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)c1 ZINC000189415241 823411535 /nfs/dbraw/zinc/41/15/35/823411535.db2.gz VFMPMTYWEALSCO-BDJLRTHQSA-N 1 0 395.286 4.164 20 0 GIADRO O[C@H](C[NH2+]Cc1ccc(COCC(F)(F)F)cc1)Cc1cccc(Cl)c1 ZINC000572869889 823411902 /nfs/dbraw/zinc/41/19/02/823411902.db2.gz WDIOYANDPIWRBP-SFHVURJKSA-N 1 0 387.829 4.112 20 0 GIADRO Cc1ccccc1CSCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000410179427 823412299 /nfs/dbraw/zinc/41/22/99/823412299.db2.gz RTTPSTIQRIIGBS-UHFFFAOYSA-N 1 0 386.586 4.416 20 0 GIADRO C[C@H](NC(=O)Nc1ccsc1Cl)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000189423169 823412464 /nfs/dbraw/zinc/41/24/64/823412464.db2.gz UCBSOCBRIDYBLU-LBPRGKRZSA-N 1 0 396.919 4.175 20 0 GIADRO CCN(C(C)=O)c1nc(CS[C@H]2CCC[N@H+](Cc3ccccc3)C2)cs1 ZINC000572879603 823412873 /nfs/dbraw/zinc/41/28/73/823412873.db2.gz ONUVZCNRNHMZHG-IBGZPJMESA-N 1 0 389.590 4.414 20 0 GIADRO Cc1cccn2cc(COc3ccccc3-c3nc([C@@H]([NH3+])CC(C)C)no3)nc12 ZINC000572878597 823412892 /nfs/dbraw/zinc/41/28/92/823412892.db2.gz SUSOOKNQZOCHPR-SFHVURJKSA-N 1 0 391.475 4.318 20 0 GIADRO O=C(Nc1ccc(F)cc1OC(F)F)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000460500998 823409623 /nfs/dbraw/zinc/40/96/23/823409623.db2.gz DPTMUYYVWRQDLS-HNNXBMFYSA-N 1 0 378.394 4.278 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(-n2cccn2)c1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000122772153 823409607 /nfs/dbraw/zinc/40/96/07/823409607.db2.gz PCLHZOJOSLGXKJ-NTKDMRAZSA-N 1 0 391.515 4.287 20 0 GIADRO Cc1c([C@@H](C)[NH2+]CCc2ccc(Cl)nc2)nnn1-c1ccc(Cl)cc1 ZINC000122774528 823410160 /nfs/dbraw/zinc/41/01/60/823410160.db2.gz IXFDBLPTNSFJRD-GFCCVEGCSA-N 1 0 376.291 4.171 20 0 GIADRO CCCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000177269517 823415981 /nfs/dbraw/zinc/41/59/81/823415981.db2.gz SOPWICRJIZYECO-SJORKVTESA-N 1 0 390.549 4.138 20 0 GIADRO FC(F)(F)CN1CCC([NH2+][C@H]2CCN(c3ccc(Cl)cc3Cl)C2)CC1 ZINC000189445581 823418185 /nfs/dbraw/zinc/41/81/85/823418185.db2.gz FGTKJOKEYAQWFL-AWEZNQCLSA-N 1 0 396.284 4.188 20 0 GIADRO Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H]2CCC[C@H](c3ccccc3)C2)CC1 ZINC000572910753 823418494 /nfs/dbraw/zinc/41/84/94/823418494.db2.gz UDMRZNYNVUNTTR-VXKWHMMOSA-N 1 0 377.532 4.449 20 0 GIADRO COc1cc(C[NH2+]Cc2cccc(Br)c2F)ccc1OC(F)F ZINC000572930020 823422162 /nfs/dbraw/zinc/42/21/62/823422162.db2.gz SCMKULQJSWQRNG-UHFFFAOYSA-N 1 0 390.199 4.488 20 0 GIADRO FC(F)(F)CN1CCC(C[NH2+]Cc2csc(-c3cccs3)n2)CC1 ZINC000189465811 823422912 /nfs/dbraw/zinc/42/29/12/823422912.db2.gz BPYHOVLPRGFELO-UHFFFAOYSA-N 1 0 375.485 4.236 20 0 GIADRO Cc1cccc2c1OCC[C@@H]2[NH2+][C@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000189468275 823423695 /nfs/dbraw/zinc/42/36/95/823423695.db2.gz BHQLVAUQZNRNKR-UTKZUKDTSA-N 1 0 377.488 4.482 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCCc2ccccc21)c1cccc(OC)c1 ZINC000058648098 823424170 /nfs/dbraw/zinc/42/41/70/823424170.db2.gz DTRUAYIBWWCTOL-XZOQPEGZSA-N 1 0 380.532 4.314 20 0 GIADRO Cc1ccc(Sc2ncccc2C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c(C)c1 ZINC000122858578 823424420 /nfs/dbraw/zinc/42/44/20/823424420.db2.gz XIZJNEFRNGAAER-MSOLQXFVSA-N 1 0 383.561 4.404 20 0 GIADRO C[C@@H]1c2ccsc2CC[N@H+]1CCC(=O)Nc1ccccc1Br ZINC000411149634 823551839 /nfs/dbraw/zinc/55/18/39/823551839.db2.gz WJVZLHNORIFTPR-GFCCVEGCSA-N 1 0 379.323 4.459 20 0 GIADRO COc1ccc(CC[NH2+][C@H](C)c2cccc(Br)c2)c(OC)c1OC ZINC000410223317 823424503 /nfs/dbraw/zinc/42/45/03/823424503.db2.gz CXDZQXBDFKIVII-CYBMUJFWSA-N 1 0 394.309 4.368 20 0 GIADRO CC[C@@H](C(=O)N(Cc1ccco1)Cc1ccc(O)cc1)[N@H+](C)Cc1ccccc1 ZINC000572924939 823420743 /nfs/dbraw/zinc/42/07/43/823420743.db2.gz OMPIJRWCZAJSCB-QHCPKHFHSA-N 1 0 392.499 4.425 20 0 GIADRO Cc1cccc(CC[N@@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)c1 ZINC000572947818 823425321 /nfs/dbraw/zinc/42/53/21/823425321.db2.gz MGUIMXRAZWNZBU-OAQYLSRUSA-N 1 0 388.515 4.393 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)CC(Cc2ccccc2)Cc2ccccc2)CC[N@@H+]1C ZINC000177298694 823425532 /nfs/dbraw/zinc/42/55/32/823425532.db2.gz LMBZKQJNZMHASJ-RDPSFJRHSA-N 1 0 378.560 4.419 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1ccnc(OCc2ccccc2)c1 ZINC000177311758 823429251 /nfs/dbraw/zinc/42/92/51/823429251.db2.gz QKSQHEDNPZWHAT-UHFFFAOYSA-N 1 0 375.472 4.283 20 0 GIADRO COc1cccc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)c1OC(F)F ZINC000122871368 823426846 /nfs/dbraw/zinc/42/68/46/823426846.db2.gz DDJGUCRKHUGOEZ-INIZCTEOSA-N 1 0 390.430 4.147 20 0 GIADRO Cc1ccc2c(C[N@@H+]3CCC[C@H](c4cc(C(F)(F)F)n[nH]4)C3)ccc(O)c2n1 ZINC000572987730 823430352 /nfs/dbraw/zinc/43/03/52/823430352.db2.gz DDCWMSUMMBLQIN-AWEZNQCLSA-N 1 0 390.409 4.370 20 0 GIADRO C[C@@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)c1ccc(OC(F)F)cc1 ZINC000177326407 823434446 /nfs/dbraw/zinc/43/44/46/823434446.db2.gz PEACXWAPZBRXSB-OAHLLOKOSA-N 1 0 395.494 4.445 20 0 GIADRO C/C=C\c1ccc(OC[C@H](O)CNc2ccc3c(c2)CC[C@@H]3[NH+](C)C)c(OC)c1 ZINC000572993839 823431031 /nfs/dbraw/zinc/43/10/31/823431031.db2.gz ZEINXDYXHFRZRN-OSUNSINCSA-N 1 0 396.531 4.129 20 0 GIADRO CC(C)[C@@H]([NH2+][C@@H]1CCCc2cc(S(N)(=O)=O)ccc21)c1ccccc1Cl ZINC000572991067 823431148 /nfs/dbraw/zinc/43/11/48/823431148.db2.gz SGWZSNYXUMTPJG-WOJBJXKFSA-N 1 0 392.952 4.352 20 0 GIADRO C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 ZINC000572997904 823431827 /nfs/dbraw/zinc/43/18/27/823431827.db2.gz WNYLLSOVLDGHJM-OAHLLOKOSA-N 1 0 377.872 4.148 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)c3ccc(C)nc3C3CC3)C2)s1 ZINC000573008096 823432810 /nfs/dbraw/zinc/43/28/10/823432810.db2.gz SHYDOIZMTKCTGB-QGZVFWFLSA-N 1 0 383.561 4.231 20 0 GIADRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000460560964 823433220 /nfs/dbraw/zinc/43/32/20/823433220.db2.gz VTFCXBMZMOSNEY-CQSZACIVSA-N 1 0 394.972 4.034 20 0 GIADRO CC(C)[NH+]1CCC(NC(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)CC1 ZINC000177327331 823434829 /nfs/dbraw/zinc/43/48/29/823434829.db2.gz VWDYVEBZKAZJKI-UHFFFAOYSA-N 1 0 386.540 4.200 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Cc1c(C)[nH]c2ccccc21)c1cccc(OC)c1 ZINC000024693894 819866162 /nfs/dbraw/zinc/86/61/62/819866162.db2.gz QLJLFVMKUUKNCC-QHCPKHFHSA-N 1 0 393.531 4.227 20 0 GIADRO Cc1cccc(NC(=O)[C@H](C)[NH2+][C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000573022466 823434984 /nfs/dbraw/zinc/43/49/84/823434984.db2.gz HXXHCZPEKSSZTB-GKCIPKSASA-N 1 0 389.902 4.150 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1coc(-c2ccc(Br)cc2)n1 ZINC000177328520 823435067 /nfs/dbraw/zinc/43/50/67/823435067.db2.gz UWAPYMUDFBTNKA-MSOLQXFVSA-N 1 0 390.325 4.163 20 0 GIADRO COc1cc(C)c(C[N@H+](C)CCC(=O)Nc2ccc(Cl)cc2F)cc1OC ZINC000024804522 819878766 /nfs/dbraw/zinc/87/87/66/819878766.db2.gz UIZNEEQFSVIGSC-UHFFFAOYSA-N 1 0 394.874 4.265 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000122928281 823435322 /nfs/dbraw/zinc/43/53/22/823435322.db2.gz ZHFYDCLKAVGOLR-SFHVURJKSA-N 1 0 389.540 4.114 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)CSc1nc2ccccc2s1)c1ccco1 ZINC000024851654 819884009 /nfs/dbraw/zinc/88/40/09/819884009.db2.gz IHLOGWGLWJMXNH-HNNXBMFYSA-N 1 0 389.546 4.181 20 0 GIADRO O=C(CC[NH+]1CCC(C(=O)Nc2ccccc2)CC1)Nc1cccc(Cl)c1 ZINC000024856781 819884615 /nfs/dbraw/zinc/88/46/15/819884615.db2.gz GWSGJBDHONFAIS-UHFFFAOYSA-N 1 0 385.895 4.019 20 0 GIADRO COC[C@]1(C[NH2+][C@@H](C)c2ccc(Br)s2)OCCc2ccccc21 ZINC000573023524 823435591 /nfs/dbraw/zinc/43/55/91/823435591.db2.gz SNQBCLCGDLFBKQ-UGSOOPFHSA-N 1 0 396.350 4.276 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccccc1CCOC ZINC000189517295 823435751 /nfs/dbraw/zinc/43/57/51/823435751.db2.gz KBEJRQPSOJWJJX-OAQYLSRUSA-N 1 0 395.547 4.251 20 0 GIADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)/C=C/c2ccsc2)CC1 ZINC000025014356 819909711 /nfs/dbraw/zinc/90/97/11/819909711.db2.gz QAMNPXMUJPULCS-ZZXKWVIFSA-N 1 0 375.925 4.195 20 0 GIADRO C[C@@H]1CCCC[C@@H]1CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000573035937 823437387 /nfs/dbraw/zinc/43/73/87/823437387.db2.gz GKIVDEHUROTHOU-YMPZKCBVSA-N 1 0 398.591 4.248 20 0 GIADRO O=C(c1ccccc1)C1CC[NH+](Cc2ccc(C(=O)N3CCCC3)cc2)CC1 ZINC000025056510 819917047 /nfs/dbraw/zinc/91/70/47/819917047.db2.gz RPZKSUSSNZMAFU-UHFFFAOYSA-N 1 0 376.500 4.018 20 0 GIADRO c1sc(CCC[NH2+][C@@H]2CCN(CCc3ccccc3)C2)nc1-c1ccncc1 ZINC000177334490 823437897 /nfs/dbraw/zinc/43/78/97/823437897.db2.gz CLKBFKSGOKAKKM-OAQYLSRUSA-N 1 0 392.572 4.044 20 0 GIADRO COc1ccc(C(=O)C2CC[NH+](Cc3cc(OC)c(OC)cc3C)CC2)cc1 ZINC000025060515 819918449 /nfs/dbraw/zinc/91/84/49/819918449.db2.gz YRFIAQFHHNJFQK-UHFFFAOYSA-N 1 0 383.488 4.116 20 0 GIADRO C[N@H+](CCO)Cc1cc(NCc2ccc(C(F)(F)F)s2)ccc1Cl ZINC000573040239 823438238 /nfs/dbraw/zinc/43/82/38/823438238.db2.gz XQGVDCKXSDXXMZ-UHFFFAOYSA-N 1 0 378.847 4.457 20 0 GIADRO CCc1ccc(C[C@@H](Cc2ccc(Cl)cc2)[NH2+][C@H]2CCN(C3CC3)C2)nc1 ZINC000573040742 823438380 /nfs/dbraw/zinc/43/83/80/823438380.db2.gz OEBUNSQDOHVOHF-FCHUYYIVSA-N 1 0 383.967 4.278 20 0 GIADRO C[C@H]([NH2+][C@H]1CCSc2ccc(Cl)cc21)C(=O)NCc1ccc(F)cc1 ZINC000025216882 819944850 /nfs/dbraw/zinc/94/48/50/819944850.db2.gz AENUQDDKSUQONQ-SJCJKPOMSA-N 1 0 378.900 4.311 20 0 GIADRO COc1cc(C[NH2+]Cc2ccc3c(c2)OCCO3)ccc1OCc1cccs1 ZINC000025262594 819952091 /nfs/dbraw/zinc/95/20/91/819952091.db2.gz OMCNJJNASHQJFH-UHFFFAOYSA-N 1 0 397.496 4.397 20 0 GIADRO COc1cccc([C@H]2[C@H](NC(=O)Nc3cccc4[nH]ccc43)CC[N@@H+]2C2CC2)c1 ZINC000189546221 823441263 /nfs/dbraw/zinc/44/12/63/823441263.db2.gz IKEMCBFKBVNPSS-YADHBBJMSA-N 1 0 390.487 4.276 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)COc1ccc2oc3c(c2c1)CCCC3)c1ccsc1 ZINC000025329416 819963055 /nfs/dbraw/zinc/96/30/55/819963055.db2.gz ATRGLAZULJNYKY-IBGZPJMESA-N 1 0 398.528 4.171 20 0 GIADRO Cn1c2ccccc2c2cc(C(=O)NC[C@H](c3ccsc3)[NH+](C)C)sc21 ZINC000025328886 819963106 /nfs/dbraw/zinc/96/31/06/819963106.db2.gz MVMGNHAGMABVCK-QGZVFWFLSA-N 1 0 383.542 4.487 20 0 GIADRO CCCn1c(C)c(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c2cc(OC)ccc21 ZINC000025331582 819964681 /nfs/dbraw/zinc/96/46/81/819964681.db2.gz AYMOJYWDWOPNHW-FQEVSTJZSA-N 1 0 399.560 4.463 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1cc(-c2ccc(Cl)cc2)on1)c1ccsc1 ZINC000025331940 819964694 /nfs/dbraw/zinc/96/46/94/819964694.db2.gz OABQFKUGOMKDIW-MRXNPFEDSA-N 1 0 375.881 4.089 20 0 GIADRO CC(=O)c1ccc(-c2ccc(C(=O)NC[C@@H](c3ccccc3)[NH+](C)C)o2)cc1 ZINC000025420349 819978064 /nfs/dbraw/zinc/97/80/64/819978064.db2.gz NINSWSNJQNQPJF-FQEVSTJZSA-N 1 0 376.456 4.182 20 0 GIADRO Cc1ccc(-c2cnc(CCC(=O)NCC3([NH+](C)C)CCCCCC3)o2)cc1 ZINC000025443985 819981228 /nfs/dbraw/zinc/98/12/28/819981228.db2.gz MHURKQRMQUOILO-UHFFFAOYSA-N 1 0 383.536 4.353 20 0 GIADRO Cc1c2cccc(F)c2oc1C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000025461858 819986088 /nfs/dbraw/zinc/98/60/88/819986088.db2.gz KMSBZXAEOIYGJD-UHFFFAOYSA-N 1 0 380.463 4.447 20 0 GIADRO O=C(Nc1ccc(NC(=O)c2cccc(C[NH+]3CCCCC3)c2)cc1)NC1CC1 ZINC000573068131 823443336 /nfs/dbraw/zinc/44/33/36/823443336.db2.gz LIMXMSSUVZKCCU-UHFFFAOYSA-N 1 0 392.503 4.209 20 0 GIADRO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC000025545849 820001407 /nfs/dbraw/zinc/00/14/07/820001407.db2.gz WQKIQLCGCFLVHZ-LJQANCHMSA-N 1 0 393.531 4.190 20 0 GIADRO C/C=C/c1ccc(OC[C@H](O)C[NH2+][C@H](C)c2ccc(F)cc2F)c(OC)c1 ZINC000025663972 820012252 /nfs/dbraw/zinc/01/22/52/820012252.db2.gz GRHPQNQYQAPXGN-XUOJHOASSA-N 1 0 377.431 4.097 20 0 GIADRO O=C(Nc1ccc2nc(C(F)F)sc2c1)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000573090614 823445923 /nfs/dbraw/zinc/44/59/23/823445923.db2.gz PCOBNTAINDMIKH-DZGCQCFKSA-N 1 0 388.443 4.111 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1ccc(COc2ccc(F)cc2)o1)c1ccsc1 ZINC000025815004 820027793 /nfs/dbraw/zinc/02/77/93/820027793.db2.gz ORLDJJAXMKGWIF-GOSISDBHSA-N 1 0 388.464 4.092 20 0 GIADRO Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000025814091 820027887 /nfs/dbraw/zinc/02/78/87/820027887.db2.gz UYBWNOFCMYWEQC-AWEZNQCLSA-N 1 0 393.578 4.135 20 0 GIADRO C[C@H](C[S@@](C)=O)[NH2+]Cc1ccc(Oc2cccc(Br)c2)cc1 ZINC000190272290 823558175 /nfs/dbraw/zinc/55/81/75/823558175.db2.gz OMICDOLZBWSSJR-MCMMXHMISA-N 1 0 382.323 4.098 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1cc(Cl)ccc1OC)c1cccc(OC)c1 ZINC000025856740 820031501 /nfs/dbraw/zinc/03/15/01/820031501.db2.gz BECXKGVVWWOLPZ-LJQANCHMSA-N 1 0 390.911 4.170 20 0 GIADRO C[C@H]([NH2+]Cc1cccnc1Oc1cccc(S(C)(=O)=O)c1)C1CCCCC1 ZINC000177369902 823447413 /nfs/dbraw/zinc/44/74/13/823447413.db2.gz FCLUCUMHAYOAPL-INIZCTEOSA-N 1 0 388.533 4.336 20 0 GIADRO COc1ccc(OC)c(NC(=O)[C@@H](C)[NH2+]CC2(c3ccccc3)CCCC2)c1 ZINC000025898282 820036331 /nfs/dbraw/zinc/03/63/31/820036331.db2.gz SWAFOWXIDFMEIS-QGZVFWFLSA-N 1 0 382.504 4.132 20 0 GIADRO CCOc1ccc(-c2nc(C)c(C(=O)N(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)s2)cc1 ZINC000123048345 823453181 /nfs/dbraw/zinc/45/31/81/823453181.db2.gz RZUADQCGBRGCTB-RHSMWYFYSA-N 1 0 387.549 4.072 20 0 GIADRO Cc1nc(-c2cccs2)ccc1C(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000025942517 820042405 /nfs/dbraw/zinc/04/24/05/820042405.db2.gz TWENCCIZFKEWRD-MRXNPFEDSA-N 1 0 391.540 4.295 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC(=O)Nc1c(C)cc(C)cc1C)CC3 ZINC000123014898 823448170 /nfs/dbraw/zinc/44/81/70/823448170.db2.gz AQFAOUUZABCCMX-QGZVFWFLSA-N 1 0 391.515 4.187 20 0 GIADRO COc1ccc([C@H](CNC(=O)c2sccc2-n2cccc2)[NH+]2CCCC2)cc1 ZINC000026023292 820050385 /nfs/dbraw/zinc/05/03/85/820050385.db2.gz DELHBHQPLJTEKC-FQEVSTJZSA-N 1 0 395.528 4.114 20 0 GIADRO CC(C)c1c(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cnn1-c1ccccc1Cl ZINC000573118297 823449775 /nfs/dbraw/zinc/44/97/75/823449775.db2.gz USDPABYPOLHNRY-WKILWMFISA-N 1 0 388.943 4.144 20 0 GIADRO O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)C1(c2ccc(F)cc2)CC1 ZINC000058775398 823449758 /nfs/dbraw/zinc/44/97/58/823449758.db2.gz PLCQCRBMNSKPSO-FQEVSTJZSA-N 1 0 386.898 4.464 20 0 GIADRO CC1(C)CC(NC(=O)N[C@@H]2CCSc3ccc(Cl)cc32)CC(C)(C)[NH2+]1 ZINC000026179329 820067362 /nfs/dbraw/zinc/06/73/62/820067362.db2.gz OABGWEIYNRWCKV-OAHLLOKOSA-N 1 0 381.973 4.485 20 0 GIADRO O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccc(-n2cccn2)cc1)Nc1ccccc1 ZINC000026180868 820067623 /nfs/dbraw/zinc/06/76/23/820067623.db2.gz RUBBDBBZTFUMHF-JOCHJYFZSA-N 1 0 389.503 4.049 20 0 GIADRO CC1(C)CC(NC(=O)N(Cc2ccco2)Cc2cccs2)CC(C)(C)[NH2+]1 ZINC000026180320 820067797 /nfs/dbraw/zinc/06/77/97/820067797.db2.gz GAZVYWULSXPTSP-UHFFFAOYSA-N 1 0 375.538 4.362 20 0 GIADRO CN(C)[C@@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1)c1ccccc1 ZINC000026304225 820080315 /nfs/dbraw/zinc/08/03/15/820080315.db2.gz BOTXEPZHHGNKBU-DEOSSOPVSA-N 1 0 397.526 4.327 20 0 GIADRO COc1cc2c(cc1C[NH2+][C@H](c1ccc3c(c1)OCCO3)C(C)C)O[C@H](C)C2 ZINC000026312997 820081306 /nfs/dbraw/zinc/08/13/06/820081306.db2.gz RUUKDUPDFUVWPB-CMJOXMDJSA-N 1 0 383.488 4.277 20 0 GIADRO C[N@@H+]1CC[C@@H](NC(=O)Nc2cc(Br)ccc2F)[C@@H]1c1ccccc1 ZINC000189582485 823451423 /nfs/dbraw/zinc/45/14/23/823451423.db2.gz RJZPYPCJBRMQHK-WBVHZDCISA-N 1 0 392.272 4.155 20 0 GIADRO CCC[N@H+](Cc1ccc(OC(C)=O)cc1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000123038946 823451726 /nfs/dbraw/zinc/45/17/26/823451726.db2.gz WOQKORVRCNERKM-UHFFFAOYSA-N 1 0 394.515 4.129 20 0 GIADRO O[C@H]([C@H]1CC[N@@H+]([C@H](c2ccc(Cl)cc2)C2CCOCC2)C1)C(F)(F)F ZINC000573134665 823452320 /nfs/dbraw/zinc/45/23/20/823452320.db2.gz PMMXPFOPUNANNJ-USXIJHARSA-N 1 0 377.834 4.053 20 0 GIADRO O[C@H](C[NH2+]Cc1cc(Br)ccc1OC(F)F)c1ccc(F)cc1 ZINC000058792236 823452861 /nfs/dbraw/zinc/45/28/61/823452861.db2.gz QRBGCQQNUXFYMQ-CQSZACIVSA-N 1 0 390.199 4.013 20 0 GIADRO CC(C)[C@@H](CNC(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000410310989 823459758 /nfs/dbraw/zinc/45/97/58/823459758.db2.gz QCWFGEWYDFGGJO-XMMPIXPASA-N 1 0 393.575 4.433 20 0 GIADRO Fc1ccccc1Nc1nn(CN2CC[NH+](C3CCCC3)CC2)c(=S)s1 ZINC000026627337 820124896 /nfs/dbraw/zinc/12/48/96/820124896.db2.gz LACPJVPGHSIHOS-UHFFFAOYSA-N 1 0 393.557 4.074 20 0 GIADRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1cc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000177407125 823454956 /nfs/dbraw/zinc/45/49/56/823454956.db2.gz OEGVDXPNYBSMFW-UHFFFAOYSA-N 1 0 395.425 4.203 20 0 GIADRO C[C@H](C[NH2+]Cc1cn2ccc(Br)cc2n1)Sc1ccccc1 ZINC000573143367 823455008 /nfs/dbraw/zinc/45/50/08/823455008.db2.gz HFAKOTKDVFKPAM-CYBMUJFWSA-N 1 0 376.323 4.367 20 0 GIADRO CCC[N@H+](CCC(=O)Nc1ccccc1Cl)C[C@H]1COc2ccccc2O1 ZINC000026665080 820129576 /nfs/dbraw/zinc/12/95/76/820129576.db2.gz VQITVRTYECMBAI-INIZCTEOSA-N 1 0 388.895 4.221 20 0 GIADRO O=C(CSCc1coc(-c2ccccc2)n1)NC1CC[NH+](C2CCCC2)CC1 ZINC000177408720 823455259 /nfs/dbraw/zinc/45/52/59/823455259.db2.gz FKUZYCMKAPEWGN-UHFFFAOYSA-N 1 0 399.560 4.098 20 0 GIADRO FC(F)(F)C(F)(F)COCC[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000189598198 823455287 /nfs/dbraw/zinc/45/52/87/823455287.db2.gz RTIIGCDNJHHUSG-LBPRGKRZSA-N 1 0 378.341 4.221 20 0 GIADRO COC(=O)[C@@H](C)[C@@H]([NH2+]CC(=O)Nc1c(C)cccc1C(C)C)c1ccccc1 ZINC000177409822 823455440 /nfs/dbraw/zinc/45/54/40/823455440.db2.gz AMVOLDMUGUOFDS-HTAPYJJXSA-N 1 0 382.504 4.197 20 0 GIADRO O[C@]1(C[NH2+]Cc2cccc(OCC(F)(F)F)c2)CCC[C@H](C(F)(F)F)C1 ZINC000189600050 823455637 /nfs/dbraw/zinc/45/56/37/823455637.db2.gz BEOAPUABLYMKMC-DZGCQCFKSA-N 1 0 385.348 4.201 20 0 GIADRO COC(=O)[C@H](C)[C@H]([NH2+]CC(=O)Nc1c(C)cccc1C(C)C)c1ccccc1 ZINC000177409808 823455579 /nfs/dbraw/zinc/45/55/79/823455579.db2.gz AMVOLDMUGUOFDS-VGSWGCGISA-N 1 0 382.504 4.197 20 0 GIADRO CC(C)[C@H]([NH2+]CC(=O)N(C)C(c1ccccc1)c1ccccc1)C1(CO)CCC1 ZINC000573150167 823455836 /nfs/dbraw/zinc/45/58/36/823455836.db2.gz DAWSWGHKINCJJA-DEOSSOPVSA-N 1 0 394.559 4.011 20 0 GIADRO COCc1ccccc1NC(=O)NC[C@@H](c1ccc(CC(C)C)cc1)[NH+](C)C ZINC000573156092 823456665 /nfs/dbraw/zinc/45/66/65/823456665.db2.gz UUFIUKIPRJCTRK-QFIPXVFZSA-N 1 0 383.536 4.456 20 0 GIADRO COC(=O)[C@H](C)[C@@H]([NH2+]CC(=O)Nc1cccc(Cl)c1Cl)c1ccccc1 ZINC000177415877 823457147 /nfs/dbraw/zinc/45/71/47/823457147.db2.gz IAYQLHWXBPXGPF-KZULUSFZSA-N 1 0 395.286 4.072 20 0 GIADRO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000189609013 823457640 /nfs/dbraw/zinc/45/76/40/823457640.db2.gz CEIAYEJBKAHCKM-HNAYVOBHSA-N 1 0 399.432 4.201 20 0 GIADRO CCCCOc1ccc(C[NH+]2CCC(NC(=O)c3ccccc3)CC2)cc1OC ZINC000123077916 823458231 /nfs/dbraw/zinc/45/82/31/823458231.db2.gz ZJPRMXKTNSWNJT-UHFFFAOYSA-N 1 0 396.531 4.269 20 0 GIADRO COC(=O)[C@H](C)[C@@H]([NH2+]Cc1ccc(OCC(F)(F)F)cc1)c1ccccc1 ZINC000177418979 823458277 /nfs/dbraw/zinc/45/82/77/823458277.db2.gz NWIDTEHOECDUHG-RDTXWAMCSA-N 1 0 381.394 4.268 20 0 GIADRO COC(=O)[C@H](C)[C@H]([NH2+]Cc1ccc(OCC(F)(F)F)cc1)c1ccccc1 ZINC000177418947 823458287 /nfs/dbraw/zinc/45/82/87/823458287.db2.gz NWIDTEHOECDUHG-KDOFPFPSSA-N 1 0 381.394 4.268 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)COc1cccc(C(F)(F)F)c1 ZINC000058820447 823458735 /nfs/dbraw/zinc/45/87/35/823458735.db2.gz CMWGKIRHNUWTRK-UHFFFAOYSA-N 1 0 394.437 4.241 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1cccc(Cn2ccnc2)c1)CC3 ZINC000123081615 823458948 /nfs/dbraw/zinc/45/89/48/823458948.db2.gz RSEZJLYBPBSLTN-LJQANCHMSA-N 1 0 386.499 4.068 20 0 GIADRO CC(C)(C)c1noc(-c2ccccc2C(=O)NC2CC[NH+](C3CCCC3)CC2)n1 ZINC000177423563 823459187 /nfs/dbraw/zinc/45/91/87/823459187.db2.gz MXTXROUUYRPURV-UHFFFAOYSA-N 1 0 396.535 4.171 20 0 GIADRO C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@H+](C)Cc1ccc2occc2c1 ZINC000573139815 823453818 /nfs/dbraw/zinc/45/38/18/823453818.db2.gz LOCGWVQAIPOVQP-MRXNPFEDSA-N 1 0 384.501 4.166 20 0 GIADRO COc1ccccc1COC1CC[NH+](Cc2ccc(OC)c(OC)c2C)CC1 ZINC000573139828 823453872 /nfs/dbraw/zinc/45/38/72/823453872.db2.gz LXFLYZZIYWWHHX-UHFFFAOYSA-N 1 0 385.504 4.202 20 0 GIADRO Brc1ccc(-c2nc(CN3CC[C@@H]([NH+]4CCCC4)C3)cs2)cc1 ZINC000177428560 823459917 /nfs/dbraw/zinc/45/99/17/823459917.db2.gz AFOWLTIPQDHSMF-QGZVFWFLSA-N 1 0 392.366 4.243 20 0 GIADRO CCc1cc[n+](C(C(=O)c2ccc3c(c2)CCCC3)C(=S)NC2CC2)cc1 ZINC000027061256 820187124 /nfs/dbraw/zinc/18/71/24/820187124.db2.gz SVUSSJHJGWNEGB-UHFFFAOYSA-O 1 0 379.549 4.106 20 0 GIADRO CC(C)C(=O)N1CCC[N@H+](CCSc2ccnc3cc(Cl)ccc32)CC1 ZINC000177429068 823460189 /nfs/dbraw/zinc/46/01/89/823460189.db2.gz TUNBYOKDMLBQLS-UHFFFAOYSA-N 1 0 391.968 4.171 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1cc(Cl)c2c(c1)OCCO2 ZINC000027140344 820200057 /nfs/dbraw/zinc/20/00/57/820200057.db2.gz HWZWDXSUTZHYLQ-UHFFFAOYSA-N 1 0 386.879 4.349 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)C1(c2ccccc2)CCOCC1 ZINC000027142739 820200594 /nfs/dbraw/zinc/20/05/94/820200594.db2.gz QRYVAZDGSKBTHP-UHFFFAOYSA-N 1 0 378.516 4.359 20 0 GIADRO O=C(CC[C@H]1Cc2ccccc2NC1=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000027141804 820200836 /nfs/dbraw/zinc/20/08/36/820200836.db2.gz QGGPXEYHFBGVKK-FQEVSTJZSA-N 1 0 391.515 4.202 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1ccn(-c2ccc(F)cc2)n1 ZINC000027143040 820201090 /nfs/dbraw/zinc/20/10/90/820201090.db2.gz SBELGNACWZISOS-UHFFFAOYSA-N 1 0 378.451 4.250 20 0 GIADRO O=C(CC1([NH+]2CCOCC2)CCCC1)Nc1ccc(CCC(F)(F)F)cc1 ZINC000177435137 823461277 /nfs/dbraw/zinc/46/12/77/823461277.db2.gz XVKUIEATKKXLJB-UHFFFAOYSA-N 1 0 384.442 4.155 20 0 GIADRO Cc1cccc(NC(=S)C(C(=O)c2ccc3c(c2)OCO3)[n+]2ccccc2)c1 ZINC000027173600 820205932 /nfs/dbraw/zinc/20/59/32/820205932.db2.gz FSYSDJIDRGIRDJ-UHFFFAOYSA-O 1 0 391.472 4.062 20 0 GIADRO Cc1cc(C(=O)C(C(=S)Nc2ccc(F)cc2)[n+]2ccc(C)cc2)c(C)[nH]1 ZINC000027194322 820208540 /nfs/dbraw/zinc/20/85/40/820208540.db2.gz NAULLZSJIOMJIS-UHFFFAOYSA-O 1 0 382.484 4.417 20 0 GIADRO COc1cccc(C(=O)C(C(=S)Nc2ccc(C)cc2)[n+]2ccccc2)c1 ZINC000027202341 820209141 /nfs/dbraw/zinc/20/91/41/820209141.db2.gz HXAAMBKEJNEIKO-UHFFFAOYSA-O 1 0 377.489 4.342 20 0 GIADRO CC[C@@H](C[NH2+]Cc1cc(Cl)c(OC)c(OC)c1)N1CCc2ccccc2C1 ZINC000027218729 820211385 /nfs/dbraw/zinc/21/13/85/820211385.db2.gz OPBUGESWXASGJJ-IBGZPJMESA-N 1 0 388.939 4.284 20 0 GIADRO CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@H]2CCCCc3ccccc32)cc1 ZINC000177437951 823461920 /nfs/dbraw/zinc/46/19/20/823461920.db2.gz HMHXJGXVZNQXAJ-QFIPXVFZSA-N 1 0 386.561 4.072 20 0 GIADRO CC(C)Oc1ncc(C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)cc1Cl ZINC000058878908 823465056 /nfs/dbraw/zinc/46/50/56/823465056.db2.gz DORRAPMEMPRNIL-UHFFFAOYSA-N 1 0 393.959 4.250 20 0 GIADRO O[C@]1(C[NH2+]Cc2cc(Br)ccc2F)CCC[C@H](C(F)(F)F)C1 ZINC000189628132 823462249 /nfs/dbraw/zinc/46/22/49/823462249.db2.gz XKCJQARLIUNDRB-SMDDNHRTSA-N 1 0 384.211 4.161 20 0 GIADRO COc1ccc([C@@H](CNC(=O)c2ccccc2C(F)(F)F)[NH+]2CCCC2)cc1 ZINC000058854743 823462341 /nfs/dbraw/zinc/46/23/41/823462341.db2.gz BWNREAREQBCWJU-LJQANCHMSA-N 1 0 392.421 4.281 20 0 GIADRO CC(C)(NC(=O)Nc1cccc(-c2ncc3n2CCCC3)c1)c1nccs1 ZINC000573184504 823462454 /nfs/dbraw/zinc/46/24/54/823462454.db2.gz GXBPVGPTPGQCSA-UHFFFAOYSA-N 1 0 381.505 4.400 20 0 GIADRO CCCCNC(=S)C(C(=O)c1cc(C)sc1C)[n+]1ccc(N(C)C)cc1 ZINC000027324400 820224255 /nfs/dbraw/zinc/22/42/55/820224255.db2.gz CFEKDBBEOPSYAM-UHFFFAOYSA-O 1 0 390.598 4.047 20 0 GIADRO O[C@@]1(C[NH2+]Cc2csc(-c3ccsc3)n2)CCC[C@H](C(F)(F)F)C1 ZINC000189630472 823462837 /nfs/dbraw/zinc/46/28/37/823462837.db2.gz MBKBICRITRMSIV-WFASDCNBSA-N 1 0 376.469 4.445 20 0 GIADRO C[N@H+](CCNC(=O)[C@](C)(Cc1nc2ccccc2s1)c1ccccc1)C1CC1 ZINC000058858011 823462967 /nfs/dbraw/zinc/46/29/67/823462967.db2.gz XDVVGEJBQNQBLZ-HSZRJFAPSA-N 1 0 393.556 4.007 20 0 GIADRO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@@H](C)Cn1ccnc1C ZINC000123104678 823463038 /nfs/dbraw/zinc/46/30/38/823463038.db2.gz JWYDKMSDBJUKGB-OAHLLOKOSA-N 1 0 385.943 4.132 20 0 GIADRO O=C(CCc1ccc(OC(F)(F)F)cc1)NC1CC[NH+](C2CCCC2)CC1 ZINC000177443163 823463097 /nfs/dbraw/zinc/46/30/97/823463097.db2.gz MVBKTQMOYXGBJI-UHFFFAOYSA-N 1 0 384.442 4.041 20 0 GIADRO C[NH+](C)CC1CCC(NC(=O)N(CCC(F)(F)F)Cc2ccccc2)CC1 ZINC000189641026 823465264 /nfs/dbraw/zinc/46/52/64/823465264.db2.gz MKNRAYSCYQVSTO-UHFFFAOYSA-N 1 0 385.474 4.271 20 0 GIADRO CCOc1ccc(C[NH2+]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)cc1OCC ZINC000189637121 823463878 /nfs/dbraw/zinc/46/38/78/823463878.db2.gz ODVAVEZPEXZVDH-MAUKXSAKSA-N 1 0 375.431 4.057 20 0 GIADRO CC(C)[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccccc1 ZINC000027451081 820246363 /nfs/dbraw/zinc/24/63/63/820246363.db2.gz VAMLQYMXZGIEQP-JTSKRJEESA-N 1 0 379.504 4.127 20 0 GIADRO Cc1cc(C(=O)C(C(=S)N[C@@H]2CCCC[C@@H]2C)[n+]2cccc(C)c2)c(C)n1C ZINC000027486660 820251646 /nfs/dbraw/zinc/25/16/46/820251646.db2.gz JGIHNTVZZIEOKV-OXJNMPFZSA-O 1 0 398.596 4.345 20 0 GIADRO COc1ccc2ccc(O)c(C[N@H+](C)Cc3ccc(C(=O)NC4CC4)cc3)c2c1 ZINC000027541058 820257563 /nfs/dbraw/zinc/25/75/63/820257563.db2.gz UPWQHTOGUQIIHW-UHFFFAOYSA-N 1 0 390.483 4.078 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)c1ccc2[nH]c(C)c(C)c2c1)[NH+]1CCCC1 ZINC000027569661 820260497 /nfs/dbraw/zinc/26/04/97/820260497.db2.gz XZKHMNRZAPFYKU-QFIPXVFZSA-N 1 0 391.515 4.360 20 0 GIADRO COc1ccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)c(F)c1 ZINC000027573955 820261130 /nfs/dbraw/zinc/26/11/30/820261130.db2.gz XVYBMTHDZOIZOC-GOSISDBHSA-N 1 0 376.497 4.099 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1ccccc1COc1ccccc1)Cc1ccccc1 ZINC000027589488 820264330 /nfs/dbraw/zinc/26/43/30/820264330.db2.gz CBPXIWIUCZQXRD-QFIPXVFZSA-N 1 0 388.511 4.168 20 0 GIADRO COc1cccc(C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)c1OC(F)F ZINC000058881015 823465745 /nfs/dbraw/zinc/46/57/45/823465745.db2.gz LNRAAPNESPXEIN-UHFFFAOYSA-N 1 0 396.478 4.025 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1ccccc1COc1ccccc1)c1cccc(F)c1 ZINC000027594724 820265229 /nfs/dbraw/zinc/26/52/29/820265229.db2.gz WUHVCJOIPRUEGQ-QHCPKHFHSA-N 1 0 392.474 4.437 20 0 GIADRO COc1ccc(C2(C(=O)NC3CC[NH+](CC4CCCC4)CC3)CCCC2)cc1 ZINC000058880373 823465795 /nfs/dbraw/zinc/46/57/95/823465795.db2.gz CEUHNQAGWCRPDV-UHFFFAOYSA-N 1 0 384.564 4.278 20 0 GIADRO COCC[N@H+](C)CCCNC(=O)Nc1ccccc1Oc1ccccc1Cl ZINC000058881311 823466086 /nfs/dbraw/zinc/46/60/86/823466086.db2.gz NEOMKDHSYWYIBC-UHFFFAOYSA-N 1 0 391.899 4.222 20 0 GIADRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)c1ccc(Cl)c(F)c1)c1ccccc1O2 ZINC000123123519 823466132 /nfs/dbraw/zinc/46/61/32/823466132.db2.gz WPPAYHVFHVZXLC-SFHVURJKSA-N 1 0 388.870 4.197 20 0 GIADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)Cc2coc3cc4c(cc23)CCC4)C1 ZINC000058883998 823466404 /nfs/dbraw/zinc/46/64/04/823466404.db2.gz VLCQZWPUJKXYMR-FVJLSDCUSA-N 1 0 380.532 4.328 20 0 GIADRO C=CCOc1ccc(/C=C/C(=O)N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)cc1OC ZINC000058883623 823466617 /nfs/dbraw/zinc/46/66/17/823466617.db2.gz NEGDFHKVQYESKW-ZGCYLVEQSA-N 1 0 398.547 4.137 20 0 GIADRO COc1cc(C(=O)N(CC[NH+](C)C)CC(C)C)cc(Cl)c1OCC(C)C ZINC000058883606 823466627 /nfs/dbraw/zinc/46/66/27/823466627.db2.gz CXWPSDYXDJOQJN-UHFFFAOYSA-N 1 0 384.948 4.043 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1ccc(Br)cc1Cl)C1CCCCC1 ZINC000058891124 823467246 /nfs/dbraw/zinc/46/72/46/823467246.db2.gz SSEURQUIZVDALQ-MRXNPFEDSA-N 1 0 387.749 4.343 20 0 GIADRO Cc1c(Cl)c(C[NH+]2CCC(C(=O)NCC(F)(F)F)CC2)nc2ccccc12 ZINC000027779761 820286158 /nfs/dbraw/zinc/28/61/58/820286158.db2.gz PWTLEQFVTTYTHY-UHFFFAOYSA-N 1 0 399.844 4.087 20 0 GIADRO O[C@@H](C[C@@H]1CCCCC[N@@H+]1Cc1cc(F)cc2c1OCOC2)c1ccco1 ZINC000177458665 823467392 /nfs/dbraw/zinc/46/73/92/823467392.db2.gz MTZHEDXMSZDXDF-OALUTQOASA-N 1 0 375.440 4.154 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1cccc(OC(F)(F)F)c1)c1cccc(F)c1 ZINC000058890599 823467369 /nfs/dbraw/zinc/46/73/69/823467369.db2.gz ZYMBBFKOOLWWHB-MRXNPFEDSA-N 1 0 385.361 4.149 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)NCCc2cccc3[nH]ccc32)[C@@H]1c1cccs1 ZINC000573222412 823467414 /nfs/dbraw/zinc/46/74/14/823467414.db2.gz NWEKQHGQAXEGHB-DYESRHJHSA-N 1 0 396.560 4.154 20 0 GIADRO CC1CC[NH+](Cc2ccc(CNC(=O)Nc3ccc4c(c3)CCO4)cc2)CC1 ZINC000410341077 823467662 /nfs/dbraw/zinc/46/76/62/823467662.db2.gz QSYIJFQTTXQIRC-UHFFFAOYSA-N 1 0 379.504 4.175 20 0 GIADRO COc1ccc2ccccc2c1CN(C(=O)N[C@H]1CC[NH2+][C@H](C)C1)C1CCCC1 ZINC000573225401 823467834 /nfs/dbraw/zinc/46/78/34/823467834.db2.gz FPTLWOHDHTWZSX-MJGOQNOKSA-N 1 0 395.547 4.443 20 0 GIADRO COc1ccc(CCNC(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)cc1 ZINC000410342970 823468034 /nfs/dbraw/zinc/46/80/34/823468034.db2.gz CZIKRTQPIXCCSO-IBGZPJMESA-N 1 0 395.547 4.112 20 0 GIADRO O=C(CCSc1ccc(F)cc1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000027927503 820297651 /nfs/dbraw/zinc/29/76/51/820297651.db2.gz RKRMFLKRDKSPCU-UHFFFAOYSA-N 1 0 386.536 4.131 20 0 GIADRO Cc1ccc2c(CC(=O)NC3CC[NH+](CCc4ccccc4)CC3)coc2c1 ZINC000027927001 820297699 /nfs/dbraw/zinc/29/76/99/820297699.db2.gz SRJVYPYKCCKRFT-UHFFFAOYSA-N 1 0 376.500 4.107 20 0 GIADRO COc1ccc([C@@H]2CCCN2C(=O)C[N@H+](Cc2ccccc2)C(C)C)cc1OC ZINC000027931470 820298232 /nfs/dbraw/zinc/29/82/32/820298232.db2.gz ZTNZBSVRYDKPPJ-NRFANRHFSA-N 1 0 396.531 4.278 20 0 GIADRO CC[C@H](C)c1ccccc1OCC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000027933183 820298808 /nfs/dbraw/zinc/29/88/08/820298808.db2.gz DDJNGYORDZFUTB-FQEVSTJZSA-N 1 0 394.559 4.402 20 0 GIADRO COc1cccc(CNC(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)c1 ZINC000410343453 823468540 /nfs/dbraw/zinc/46/85/40/823468540.db2.gz GQZBDMPGVZODFZ-SFHVURJKSA-N 1 0 381.520 4.069 20 0 GIADRO CC(C)c1ccc(-c2noc(CCC(=O)NCCC[NH+]3CCC(C)CC3)n2)cc1 ZINC000028070685 820309292 /nfs/dbraw/zinc/30/92/92/820309292.db2.gz SKNDKAWZWCVUGC-UHFFFAOYSA-N 1 0 398.551 4.031 20 0 GIADRO C[C@@H](Nc1cc[nH+]c2cc(C(F)(F)F)ccc12)c1cccc(S(N)(=O)=O)c1 ZINC000123141608 823468929 /nfs/dbraw/zinc/46/89/29/823468929.db2.gz MRKMXOSTIKKYQM-LLVKDONJSA-N 1 0 395.406 4.074 20 0 GIADRO C[C@@H](NC(=O)N1Cc2ccccc2OC(C)(C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000460658955 823469129 /nfs/dbraw/zinc/46/91/29/823469129.db2.gz UFZAMSUWXOCWEG-QZTJIDSGSA-N 1 0 385.552 4.022 20 0 GIADRO COCCOc1cc(C)ccc1C[NH2+][C@@H]1CCc2[nH]c3ccc(OC)cc3c2C1 ZINC000573238355 823469201 /nfs/dbraw/zinc/46/92/01/823469201.db2.gz CNRGYENPBPDNPB-GOSISDBHSA-N 1 0 394.515 4.157 20 0 GIADRO CC(C)OCCCNC(=O)C1CC[NH+]([C@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000189659631 823469336 /nfs/dbraw/zinc/46/93/36/823469336.db2.gz TXXHYMMMKPYWFB-UPVQGACJSA-N 1 0 386.580 4.140 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1ccc(Cl)cc1 ZINC000028348490 820327408 /nfs/dbraw/zinc/32/74/08/820327408.db2.gz KZUDDJZAJYZCAH-UONOGXRCSA-N 1 0 385.895 4.366 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1cccc(Cl)c1 ZINC000028347284 820327490 /nfs/dbraw/zinc/32/74/90/820327490.db2.gz JAQRGGKRHJIOLO-UONOGXRCSA-N 1 0 385.895 4.366 20 0 GIADRO C[C@@H](Sc1ccc(Br)cc1)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000058918476 823470336 /nfs/dbraw/zinc/47/03/36/823470336.db2.gz RHXMHIDZKFNQFF-ZBFHGGJFSA-N 1 0 397.382 4.017 20 0 GIADRO CC[C@H](CNC(=O)N(C)Cc1cccc(Cl)c1)[N@@H+]1CCc2ccccc2C1 ZINC000028391711 820332091 /nfs/dbraw/zinc/33/20/91/820332091.db2.gz GVEJPRYZQVYZPI-OAQYLSRUSA-N 1 0 385.939 4.318 20 0 GIADRO O=C(/C=C/c1cc(C(F)(F)F)ccc1Cl)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000058919886 823470685 /nfs/dbraw/zinc/47/06/85/823470685.db2.gz PAQSRRSXZSEVGU-CDVVCGDMSA-N 1 0 386.845 4.459 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCCN(CC(C)(C)C)C1=O)c1cccc(OCc2ccccn2)c1 ZINC000460667705 823472017 /nfs/dbraw/zinc/47/20/17/823472017.db2.gz IGESVGKYJCXOGO-GCJKJVERSA-N 1 0 395.547 4.348 20 0 GIADRO C[C@H]1CN(C(=O)NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c2ccccc21 ZINC000410356734 823472511 /nfs/dbraw/zinc/47/25/11/823472511.db2.gz XZOHOVNGOHVOAU-IPMKNSEASA-N 1 0 393.531 4.129 20 0 GIADRO CCc1nc2c(s1)[C@H](N(C)C(=O)NC[C@H](c1cccs1)[NH+](C)C)CCC2 ZINC000123163565 823472675 /nfs/dbraw/zinc/47/26/75/823472675.db2.gz MFHNSHWKRZHCMH-HUUCEWRRSA-N 1 0 392.594 4.089 20 0 GIADRO C[C@@H](CCc1ccco1)NC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000410357297 823472756 /nfs/dbraw/zinc/47/27/56/823472756.db2.gz DGMPIZWUMOQWQG-RBUKOAKNSA-N 1 0 383.536 4.475 20 0 GIADRO O=C(CCc1ccc(-c2ccccc2F)o1)N1CCC([NH+]2CCCCC2)CC1 ZINC000058936026 823472791 /nfs/dbraw/zinc/47/27/91/823472791.db2.gz GVXORHKSNYCLEI-UHFFFAOYSA-N 1 0 384.495 4.495 20 0 GIADRO CC(C)OCc1c2ccccc2oc1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000058937507 823473023 /nfs/dbraw/zinc/47/30/23/823473023.db2.gz RLPHBWMJADKCEK-UHFFFAOYSA-N 1 0 384.520 4.448 20 0 GIADRO C[C@H]1C[NH+](CCC2CCN(Cc3ncc(-c4cccs4)o3)CC2)C[C@H](C)O1 ZINC000177484264 823473409 /nfs/dbraw/zinc/47/34/09/823473409.db2.gz LMFBUTSKFRMANC-IRXDYDNUSA-N 1 0 389.565 4.114 20 0 GIADRO C[N@H+](CCC(=O)N[C@H]1CCCc2ccccc21)Cc1ccc(OC(F)F)cc1 ZINC000028852427 820364115 /nfs/dbraw/zinc/36/41/15/820364115.db2.gz DCLKPSHKEBOFMG-FQEVSTJZSA-N 1 0 388.458 4.304 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1cnc2c(F)cccc2c1 ZINC000573271448 823473751 /nfs/dbraw/zinc/47/37/51/823473751.db2.gz LPFQIMLZDXRIMZ-KRWDZBQOSA-N 1 0 377.463 4.111 20 0 GIADRO O=C(CCN1CC[NH+](Cc2cccc3ccccc32)CC1)Nc1ccccc1F ZINC000028887616 820366751 /nfs/dbraw/zinc/36/67/51/820366751.db2.gz GTZURPZGQOCCAX-UHFFFAOYSA-N 1 0 391.490 4.125 20 0 GIADRO Cc1ccc(O)c(C(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000028885606 820366950 /nfs/dbraw/zinc/36/69/50/820366950.db2.gz BCZPELJZQFZCDY-UHFFFAOYSA-N 1 0 392.421 4.068 20 0 GIADRO COc1cccc(C[NH2+]C[C@H](O)CO[C@@H](c2ccccc2)c2ccc(C)cc2)c1 ZINC000573271130 823473790 /nfs/dbraw/zinc/47/37/90/823473790.db2.gz YSYDZPOSIYJCFU-ZCYQVOJMSA-N 1 0 391.511 4.260 20 0 GIADRO CCCN(CC[NH+]1CCCCCC1)C(=O)NCCC1CC(OC(C)(C)C)C1 ZINC000460672548 823473935 /nfs/dbraw/zinc/47/39/35/823473935.db2.gz NJGISKWZSNEJOI-UHFFFAOYSA-N 1 0 381.605 4.268 20 0 GIADRO C[C@H](NCc1ccccc1C[NH+]1CCCCC1)C(=O)Nc1cc(F)ccc1F ZINC000028899381 820370077 /nfs/dbraw/zinc/37/00/77/820370077.db2.gz JQFBJCSEJFVQHB-INIZCTEOSA-N 1 0 387.474 4.068 20 0 GIADRO O=C(CCc1cccc(Cl)c1)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000573274227 823474158 /nfs/dbraw/zinc/47/41/58/823474158.db2.gz NIULMGPEMZBCFC-HSZRJFAPSA-N 1 0 382.935 4.397 20 0 GIADRO O=C(CCc1cccc(Cl)c1)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000573274228 823474210 /nfs/dbraw/zinc/47/42/10/823474210.db2.gz NIULMGPEMZBCFC-QHCPKHFHSA-N 1 0 382.935 4.397 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)c1 ZINC000028918140 820373057 /nfs/dbraw/zinc/37/30/57/820373057.db2.gz CRJMLYTUTZCTRX-SJKOYZFVSA-N 1 0 397.302 4.042 20 0 GIADRO Cc1ccc(C)c(OC[C@@H](O)C[NH2+][C@@H](C)c2ccccc2OC(F)F)c1C ZINC000028922098 820373417 /nfs/dbraw/zinc/37/34/17/820373417.db2.gz RUFWETKWALRNIX-IRXDYDNUSA-N 1 0 379.447 4.304 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3ccn(-c4ccccc4)n3)cc2)C1 ZINC000058949510 823474257 /nfs/dbraw/zinc/47/42/57/823474257.db2.gz DUEICNJMCKDQEG-IBGZPJMESA-N 1 0 388.515 4.034 20 0 GIADRO COc1ccc(CCC(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1F ZINC000058948740 823474265 /nfs/dbraw/zinc/47/42/65/823474265.db2.gz SBBHZLWZYDUAGN-SFHVURJKSA-N 1 0 398.522 4.315 20 0 GIADRO CO[C@H](CNC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000410369307 823477411 /nfs/dbraw/zinc/47/74/11/823477411.db2.gz BCVIBFCXQOFZNS-WMZHIEFXSA-N 1 0 395.547 4.248 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)cc1 ZINC000058950431 823474683 /nfs/dbraw/zinc/47/46/83/823474683.db2.gz DGEBQVOFILHNHE-ZHRRBRCNSA-N 1 0 398.934 4.334 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000058952570 823474995 /nfs/dbraw/zinc/47/49/95/823474995.db2.gz KWNSJMMIWVZEMC-GPZRYRNASA-N 1 0 393.487 4.299 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)Cc1cccc2ccccc21 ZINC000058953700 823475290 /nfs/dbraw/zinc/47/52/90/823475290.db2.gz SRWZABGPINAZSE-UHFFFAOYSA-N 1 0 390.527 4.419 20 0 GIADRO O=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000029090820 820391470 /nfs/dbraw/zinc/39/14/70/820391470.db2.gz KQEQQTFLMPMJFQ-UHFFFAOYSA-N 1 0 394.906 4.078 20 0 GIADRO O=C(CSC(c1ccccc1)c1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000029090139 820391534 /nfs/dbraw/zinc/39/15/34/820391534.db2.gz DDEVPQLAZHHZID-UHFFFAOYSA-N 1 0 380.557 4.252 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)CCOc1cccc(Cl)c1)c1ccsc1 ZINC000058954627 823475651 /nfs/dbraw/zinc/47/56/51/823475651.db2.gz FFUBFGZKJDPKEK-SFHVURJKSA-N 1 0 380.941 4.370 20 0 GIADRO O=C(Nc1ccc(Oc2cccnc2)cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000573285040 823475891 /nfs/dbraw/zinc/47/58/91/823475891.db2.gz VCUFMEJYPBQMES-UHFFFAOYSA-N 1 0 380.492 4.356 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)c1ccccc1 ZINC000029166171 820403392 /nfs/dbraw/zinc/40/33/92/820403392.db2.gz CJNOGVXRVKTSLB-IBGZPJMESA-N 1 0 395.547 4.291 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)c1 ZINC000029164850 820403471 /nfs/dbraw/zinc/40/34/71/820403471.db2.gz WPDSXRGPMNGQCR-UHFFFAOYSA-N 1 0 399.292 4.153 20 0 GIADRO O=C(Nc1ccccc1O)C1CC[NH+](CCOc2ccc3ccccc3c2)CC1 ZINC000029173270 820405456 /nfs/dbraw/zinc/40/54/56/820405456.db2.gz FPNYHHVYCRVFMZ-UHFFFAOYSA-N 1 0 390.483 4.275 20 0 GIADRO CC[C@](C)(O)C[N@H+](Cc1ccccc1)Cc1ccc(OCc2nccn2C)cc1 ZINC000189727868 823483002 /nfs/dbraw/zinc/48/30/02/823483002.db2.gz KHTQFXUWFFFYEB-DEOSSOPVSA-N 1 0 393.531 4.162 20 0 GIADRO O=C(NCCc1cc(F)ccc1F)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000177504909 823478690 /nfs/dbraw/zinc/47/86/90/823478690.db2.gz VAHGVAFPXUZAIQ-SEJPIABJSA-N 1 0 399.485 4.002 20 0 GIADRO OC[C@@H](C[NH2+]Cc1cnc(C2CCCCC2)s1)Cc1ccc(F)c(F)c1 ZINC000573352237 823483095 /nfs/dbraw/zinc/48/30/95/823483095.db2.gz AQNHLZDDNROYDW-OAHLLOKOSA-N 1 0 380.504 4.410 20 0 GIADRO O=C(NCc1cccc(C(F)(F)F)c1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000029316725 820435888 /nfs/dbraw/zinc/43/58/88/820435888.db2.gz FZDCHABFOJWEJX-IBGZPJMESA-N 1 0 391.437 4.342 20 0 GIADRO C[C@H]1C[NH+](CCC2CCN(Cc3csc(-c4ccco4)n3)CC2)C[C@H](C)O1 ZINC000177505419 823479061 /nfs/dbraw/zinc/47/90/61/823479061.db2.gz OBFSITVWJHMCRF-IRXDYDNUSA-N 1 0 389.565 4.114 20 0 GIADRO Cc1nn(-c2cc[nH+]cc2)cc1CNc1ccc(C(=O)N2CCC(C)CC2)cc1 ZINC000573310460 823479140 /nfs/dbraw/zinc/47/91/40/823479140.db2.gz SXSUMNMIDSUGOC-UHFFFAOYSA-N 1 0 389.503 4.060 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc4[nH]c(C)c(C)c4c3)c(C)c2)CC1 ZINC000029373681 820445792 /nfs/dbraw/zinc/44/57/92/820445792.db2.gz VTTDGJMNBGMHFL-UHFFFAOYSA-N 1 0 390.531 4.487 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)CCCOc3ccc(C)cc3)c(C)c2)CC1 ZINC000029375200 820445844 /nfs/dbraw/zinc/44/58/44/820445844.db2.gz HUHKYEZQMIGZLG-UHFFFAOYSA-N 1 0 395.547 4.243 20 0 GIADRO CC1CC[NH+]([C@@H](CNC(=O)c2ccc(-n3ccnc3)cc2)c2cccs2)CC1 ZINC000029434413 820454467 /nfs/dbraw/zinc/45/44/67/820454467.db2.gz JJXLMKWETKDGIX-FQEVSTJZSA-N 1 0 394.544 4.137 20 0 GIADRO CSc1ccc(NC(=O)NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000410375946 823480279 /nfs/dbraw/zinc/48/02/79/823480279.db2.gz QPDWKFCPLIHONR-CALCHBBNSA-N 1 0 399.560 4.339 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCc2ccccc2C1 ZINC000410376892 823480601 /nfs/dbraw/zinc/48/06/01/823480601.db2.gz YLLSCHFFFHTNNP-IBGZPJMESA-N 1 0 377.532 4.329 20 0 GIADRO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](CCCCC2CCOCC2)C1 ZINC000410388563 823483605 /nfs/dbraw/zinc/48/36/05/823483605.db2.gz KIVSMRLZVPNLRG-SFHVURJKSA-N 1 0 392.506 4.096 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)C1 ZINC000177518315 823480978 /nfs/dbraw/zinc/48/09/78/823480978.db2.gz GOQSDJZVABWRST-KRWDZBQOSA-N 1 0 395.507 4.136 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)c1 ZINC000460689407 823481020 /nfs/dbraw/zinc/48/10/20/823481020.db2.gz BIEBLQBGDHUMPC-RTBURBONSA-N 1 0 377.315 4.475 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1nc(-c2cccs2)oc1C ZINC000058997014 823481044 /nfs/dbraw/zinc/48/10/44/823481044.db2.gz FLSVWSPWLLPAJG-UHFFFAOYSA-N 1 0 383.517 4.483 20 0 GIADRO Cc1cccc(COc2ccc(CNC(=O)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)c1 ZINC000410387491 823483381 /nfs/dbraw/zinc/48/33/81/823483381.db2.gz GRDTVUCQBWZKFP-YADHBBJMSA-N 1 0 393.531 4.000 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)Nc2cccc(OCCF)c2)CC[N@@H+]1Cc1ccccc1 ZINC000123227114 823481217 /nfs/dbraw/zinc/48/12/17/823481217.db2.gz QLRAJPFFGXXMKV-YLJYHZDGSA-N 1 0 385.483 4.210 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)C(C)(C)c2ccc(Br)cc2)CC1 ZINC000059003789 823481637 /nfs/dbraw/zinc/48/16/37/823481637.db2.gz HNHBELKQVNMNQJ-UHFFFAOYSA-N 1 0 395.385 4.306 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)Cc1csc(-c2ccccc2)n1 ZINC000059001925 823481677 /nfs/dbraw/zinc/48/16/77/823481677.db2.gz GBRBYXQMDGRSLN-UHFFFAOYSA-N 1 0 397.519 4.082 20 0 GIADRO Cc1cccc(COc2ccc(CNC(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)c1 ZINC000410387488 823483422 /nfs/dbraw/zinc/48/34/22/823483422.db2.gz GRDTVUCQBWZKFP-FCHUYYIVSA-N 1 0 393.531 4.000 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)[C@H](C)Oc2ccc(Cl)c(Cl)c2)CC1 ZINC000059004295 823482056 /nfs/dbraw/zinc/48/20/56/823482056.db2.gz BRCJHDRUYSNWPG-AWEZNQCLSA-N 1 0 387.351 4.340 20 0 GIADRO CC[C@H](NC(=O)NCC1CC[NH+](Cc2cccs2)CC1)c1c(C)noc1C ZINC000123236873 823483477 /nfs/dbraw/zinc/48/34/77/823483477.db2.gz NBEJGHPDRABFTN-SFHVURJKSA-N 1 0 390.553 4.015 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc4c(cccc4F)[nH]3)c(C)c2)CC1 ZINC000029597223 820481910 /nfs/dbraw/zinc/48/19/10/820481910.db2.gz DOUOVHMZDQKCPD-UHFFFAOYSA-N 1 0 380.467 4.010 20 0 GIADRO CC1(C)CC(NC(=O)c2ccccc2SCc2cscn2)CC(C)(C)[NH2+]1 ZINC000029600701 820482529 /nfs/dbraw/zinc/48/25/29/820482529.db2.gz KCSCKTYCKKZFDD-UHFFFAOYSA-N 1 0 389.590 4.474 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000177525516 823482277 /nfs/dbraw/zinc/48/22/77/823482277.db2.gz IKDWHQPZJCQHEQ-MRXNPFEDSA-N 1 0 386.471 4.209 20 0 GIADRO Cc1ccc([C@H]2CCC[N@@H+]2Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)cc1 ZINC000029718321 820505834 /nfs/dbraw/zinc/50/58/34/820505834.db2.gz NLEJLJSGEBGOLI-TZIWHRDSSA-N 1 0 382.467 4.369 20 0 GIADRO O=C(NC1CC[NH+](Cc2cc(-c3ccc(F)cc3)no2)CC1)c1ccc(F)cc1 ZINC000029720694 820506760 /nfs/dbraw/zinc/50/67/60/820506760.db2.gz NEXGKYHGTDRVGB-UHFFFAOYSA-N 1 0 397.425 4.014 20 0 GIADRO CN1CCC([N@H+](Cc2ccccc2)Cc2ccc3c(c2)COC(C)(C)O3)CC1 ZINC000573366327 823485025 /nfs/dbraw/zinc/48/50/25/823485025.db2.gz NPHQLGDIYAGTOF-UHFFFAOYSA-N 1 0 380.532 4.428 20 0 GIADRO O=C(COc1ccc(Cl)c(Cl)c1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000029753118 820510584 /nfs/dbraw/zinc/51/05/84/820510584.db2.gz NGSGOPKVKWEDTP-UHFFFAOYSA-N 1 0 393.314 4.153 20 0 GIADRO C[N@H+](CC(=O)Nc1ccnn1Cc1ccccc1Cl)[C@@H]1CCc2ccccc21 ZINC000029810940 820522880 /nfs/dbraw/zinc/52/28/80/820522880.db2.gz XGDIJDKMHAALST-HXUWFJFHSA-N 1 0 394.906 4.143 20 0 GIADRO C[NH+](C)CCOc1ccc(CNC(=O)NC2CCC(c3ccccc3)CC2)cc1 ZINC000410397901 823486228 /nfs/dbraw/zinc/48/62/28/823486228.db2.gz HPHASAPAKNTTRQ-UHFFFAOYSA-N 1 0 395.547 4.153 20 0 GIADRO COc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H](c4nc5ccccc5o4)C3)o2)cc1 ZINC000029827705 820526825 /nfs/dbraw/zinc/52/68/25/820526825.db2.gz BWZWFPUTENDCOF-MRXNPFEDSA-N 1 0 390.443 4.266 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccc(OCc2ccccn2)cc1 ZINC000460708199 823489644 /nfs/dbraw/zinc/48/96/44/823489644.db2.gz IBYGJBLTFPRHID-LJQANCHMSA-N 1 0 381.520 4.045 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)c3cn(C)c4ccc(F)cc34)C2)s1 ZINC000573378448 823486395 /nfs/dbraw/zinc/48/63/95/823486395.db2.gz IHINWNSLSXCHLM-INIZCTEOSA-N 1 0 399.535 4.281 20 0 GIADRO Cc1cccc(OCCCC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000059123023 823486485 /nfs/dbraw/zinc/48/64/85/823486485.db2.gz JYZIQUZLGPKVDM-UHFFFAOYSA-N 1 0 380.532 4.243 20 0 GIADRO C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@H+](C)CCCOc1ccccc1 ZINC000029854432 820532746 /nfs/dbraw/zinc/53/27/46/820532746.db2.gz VXCLUSHTAQVTJU-OAHLLOKOSA-N 1 0 378.419 4.016 20 0 GIADRO CC[C@@H](CNC(=O)CCCc1c[nH]c2ccccc12)[N@@H+]1CCc2ccccc2C1 ZINC000029909077 820545828 /nfs/dbraw/zinc/54/58/28/820545828.db2.gz NICHACJNNWSGNE-QFIPXVFZSA-N 1 0 389.543 4.444 20 0 GIADRO CC[C@@H](CNC(=O)CCc1nc2ccccc2s1)[N@@H+]1CCc2ccccc2C1 ZINC000029909308 820546152 /nfs/dbraw/zinc/54/61/52/820546152.db2.gz YNFPUHXCDXOXTF-IBGZPJMESA-N 1 0 393.556 4.182 20 0 GIADRO C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000177554739 823489913 /nfs/dbraw/zinc/48/99/13/823489913.db2.gz YGUMAVBRRQMICC-DYESRHJHSA-N 1 0 391.540 4.451 20 0 GIADRO COc1cc(Cl)c(NC(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)cc1C ZINC000573402521 823488492 /nfs/dbraw/zinc/48/84/92/823488492.db2.gz HUGCJWTXLHAASP-IFXJQAMLSA-N 1 0 375.900 4.470 20 0 GIADRO CC[C@H](C(=O)Nc1cccc(C(=O)NCC[NH+](CC)CC)c1)c1ccc(F)cc1 ZINC000460708527 823489934 /nfs/dbraw/zinc/48/99/34/823489934.db2.gz WZQQYDSGSCZNDL-NRFANRHFSA-N 1 0 399.510 4.030 20 0 GIADRO CCc1cc2c(ncnc2NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)s1 ZINC000030001572 820566023 /nfs/dbraw/zinc/56/60/23/820566023.db2.gz ULVNCGKEODOOMO-HZPDHXFCSA-N 1 0 396.560 4.475 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cc(-c2ccccc2F)on1 ZINC000030033552 820572409 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Cc1nc(C)c(C[NH2+][C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)s1 ZINC000123307795 823493982 /nfs/dbraw/zinc/49/39/82/823493982.db2.gz DYYWNSSBADQSGK-MRXNPFEDSA-N 1 0 397.466 4.232 20 0 GIADRO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1ccc(C2SCCCS2)cc1 ZINC000030318925 820600966 /nfs/dbraw/zinc/60/09/66/820600966.db2.gz VHTKHEJAOXOICS-UHFFFAOYSA-N 1 0 398.597 4.343 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)c2ccc(C3N=NC(=S)O3)cc2)c1 ZINC000123285709 823490751 /nfs/dbraw/zinc/49/07/51/823490751.db2.gz JFEYYFXDLSWHTK-UHFFFAOYSA-N 1 0 382.489 4.119 20 0 GIADRO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000573413333 823490973 /nfs/dbraw/zinc/49/09/73/823490973.db2.gz ZERXGXXOGFFCMI-DHIUTWEWSA-N 1 0 379.548 4.390 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(N(C)C)cc2)ccc1OC(C)C ZINC000030492476 820622573 /nfs/dbraw/zinc/62/25/73/820622573.db2.gz AADATNMXKOYDBX-IAGOWNOFSA-N 1 0 399.535 4.226 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(F)cc2F)ccc1OC(C)C ZINC000030492719 820623328 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Clc1ccccc1Cn1cc(C[NH2+]Cc2ccccc2Cn2ccnc2)cn1 ZINC000030652132 820658375 /nfs/dbraw/zinc/65/83/75/820658375.db2.gz DESOBBQZMQLDFY-UHFFFAOYSA-N 1 0 391.906 4.119 20 0 GIADRO CCOc1cc(C[NH2+]Cc2ccccc2Cn2ccnc2)cc(Cl)c1OC ZINC000030651775 820658583 /nfs/dbraw/zinc/65/85/83/820658583.db2.gz BEJKWRLHSXQFOA-UHFFFAOYSA-N 1 0 385.895 4.282 20 0 GIADRO CC[C@H]([NH2+]Cc1cc(Cl)c(OCC(N)=O)c(OC)c1)c1ccc(Cl)cc1 ZINC000030655971 820659066 /nfs/dbraw/zinc/65/90/66/820659066.db2.gz YGIOKYNKLXAVSO-INIZCTEOSA-N 1 0 397.302 4.107 20 0 GIADRO Cc1ccc(S(=O)(=O)N2CCC([NH2+]Cc3cccc4ccccc43)CC2)cc1 ZINC000030653368 820659372 /nfs/dbraw/zinc/65/93/72/820659372.db2.gz HSUSAJKVXXMFRZ-UHFFFAOYSA-N 1 0 394.540 4.091 20 0 GIADRO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCCc2c[nH]nc2C)o1 ZINC000030667098 820661696 /nfs/dbraw/zinc/66/16/96/820661696.db2.gz LULVVCVYCOQGSU-UHFFFAOYSA-N 1 0 375.476 4.195 20 0 GIADRO CN(c1ccccc1)c1ccc(C[NH2+]C2CCN(C(=O)c3ccoc3)CC2)cc1 ZINC000030668890 820662178 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GIADRO CCCC[N@H+](CC(=O)Nc1cccc(C(=O)N(C)C)c1)[C@H](C)c1ccccc1 ZINC000123346653 823499817 /nfs/dbraw/zinc/49/98/17/823499817.db2.gz NJMNRWXSKYVQSB-GOSISDBHSA-N 1 0 381.520 4.190 20 0 GIADRO C[C@H]([NH2+][C@H]1c2cccc(F)c2CC[C@H]1C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177605433 823499812 /nfs/dbraw/zinc/49/98/12/823499812.db2.gz GMTPMXNOSMYZMD-LRAJWGHMSA-N 1 0 390.524 4.050 20 0 GIADRO COc1cccc([C@H](C)CC(=O)NCC2CC[NH+](Cc3cccs3)CC2)c1 ZINC000177627761 823503863 /nfs/dbraw/zinc/50/38/63/823503863.db2.gz HXDJCQKXWYATFJ-QGZVFWFLSA-N 1 0 386.561 4.279 20 0 GIADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc(-c2ccncc2)nc2ccccc21 ZINC000059995675 823504519 /nfs/dbraw/zinc/50/45/19/823504519.db2.gz VDHMZTDZKSXAIB-ZWKOTPCHSA-N 1 0 388.515 4.147 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Nc1ccc(OC)c2ncccc12 ZINC000123394522 823505092 /nfs/dbraw/zinc/50/50/92/823505092.db2.gz KTDNQCALTHAYSY-UHFFFAOYSA-N 1 0 392.503 4.359 20 0 GIADRO O=C(NCCCCc1ccccc1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000031149068 820754132 /nfs/dbraw/zinc/75/41/32/820754132.db2.gz NSTPUSCRYVDEPJ-UHFFFAOYSA-N 1 0 379.548 4.016 20 0 GIADRO O=C(N[C@H]1C[C@H](c2ccccc2)C1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000460758005 823505212 /nfs/dbraw/zinc/50/52/12/823505212.db2.gz KXZJCPBYTMDCGM-ZJZGAYNASA-N 1 0 389.543 4.096 20 0 GIADRO Cc1cc(OCc2ccccc2)c(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)s1 ZINC000410588515 823505585 /nfs/dbraw/zinc/50/55/85/823505585.db2.gz JQIUCAHCDBEAIA-OALUTQOASA-N 1 0 384.545 4.192 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2scnc2C(F)(F)F)[C@@H]1c1cccs1 ZINC000410517094 823500868 /nfs/dbraw/zinc/50/08/68/823500868.db2.gz WECQDLYVQIJUTH-CMPLNLGQSA-N 1 0 389.468 4.036 20 0 GIADRO C[C@@H](C1CC1)n1cc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC000189816135 823500979 /nfs/dbraw/zinc/50/09/79/823500979.db2.gz ZOCSLLCVVLISGT-OAIAAZCPSA-N 1 0 393.535 4.171 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)N(C)Cc1ccc(OC)c(F)c1)c1ccsc1 ZINC000031193820 820765281 /nfs/dbraw/zinc/76/52/81/820765281.db2.gz RGTPQFJCEROAMV-GOSISDBHSA-N 1 0 393.528 4.120 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1ccc(OC2CCOCC2)cc1 ZINC000460741867 823501773 /nfs/dbraw/zinc/50/17/73/823501773.db2.gz NHWULQNPSXSXHP-UHFFFAOYSA-N 1 0 396.531 4.015 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000031237735 820776338 /nfs/dbraw/zinc/77/63/38/820776338.db2.gz ZUNAWESGWRNALR-UHFFFAOYSA-N 1 0 398.894 4.413 20 0 GIADRO C[C@H]1CCC[C@@](CNC(=O)c2ccc(COc3ccc(F)cc3)o2)([NH+](C)C)C1 ZINC000059890583 823501905 /nfs/dbraw/zinc/50/19/05/823501905.db2.gz LVLWZQAGKHGBJZ-KSFYIVLOSA-N 1 0 388.483 4.238 20 0 GIADRO COc1ccc(C[NH2+]CC[C@](C)(O)c2ccccc2)cc1OCc1cccnc1 ZINC000189822007 823502242 /nfs/dbraw/zinc/50/22/42/823502242.db2.gz FSSPRRGVBUHWCH-DEOSSOPVSA-N 1 0 392.499 4.057 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(Br)c(Cl)c1)c1ccc2c(c1)NC(=O)CO2 ZINC000189831555 823503493 /nfs/dbraw/zinc/50/34/93/823503493.db2.gz VXIJXZZYGUMDJY-JTQLQIEISA-N 1 0 395.684 4.284 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H](C)c1noc(-c2ccccc2)n1)CC3 ZINC000123380519 823503551 /nfs/dbraw/zinc/50/35/51/823503551.db2.gz FUWIMYVBZIVDGH-GOEBONIOSA-N 1 0 388.471 4.435 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)c2c(C)nn(-c3ccccc3)c2Cl)c1 ZINC000060062926 823506529 /nfs/dbraw/zinc/50/65/29/823506529.db2.gz YKSOTCYCLZCQLY-UHFFFAOYSA-N 1 0 396.922 4.216 20 0 GIADRO CN(CC(=O)Nc1ccccc1Cl)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000031447136 820812776 /nfs/dbraw/zinc/81/27/76/820812776.db2.gz XYFCHZGHLRUOMM-UHFFFAOYSA-N 1 0 399.922 4.037 20 0 GIADRO Cc1cc(N2CCC(C(=O)NCCc3cccs3)CC2)c2cc(F)ccc2[nH+]1 ZINC000123412730 823507020 /nfs/dbraw/zinc/50/70/20/823507020.db2.gz VQMAWWZTLZTZCS-UHFFFAOYSA-N 1 0 397.519 4.319 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1 ZINC000031526106 820821330 /nfs/dbraw/zinc/82/13/30/820821330.db2.gz WAVPGOOQFPJILY-VGOFRKELSA-N 1 0 393.531 4.053 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1cc(-c2ccccc2)on1 ZINC000031525139 820821406 /nfs/dbraw/zinc/82/14/06/820821406.db2.gz DNTFNWUDRJGGAZ-UHFFFAOYSA-N 1 0 375.472 4.258 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)[C@@H](NC(=O)c2ccc(F)cc2)C(C)C)c1 ZINC000031531488 820821886 /nfs/dbraw/zinc/82/18/86/820821886.db2.gz DBZJPWYZWYYFFQ-NRFANRHFSA-N 1 0 399.510 4.061 20 0 GIADRO O=C(CCc1ccc(OC(F)F)cc1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000031543062 820823054 /nfs/dbraw/zinc/82/30/54/820823054.db2.gz VNWOCVPUHPIJNK-IBGZPJMESA-N 1 0 388.458 4.001 20 0 GIADRO C[C@@H]1Sc2ccc(C(=O)Nc3cccc(C[NH+]4CCCCC4)c3)cc2NC1=O ZINC000031621530 820835904 /nfs/dbraw/zinc/83/59/04/820835904.db2.gz CYBSVBSUTPVMPK-HNNXBMFYSA-N 1 0 395.528 4.358 20 0 GIADRO C[C@@H](CNC(=O)c1ccc(-c2nc3ccccc3s2)o1)[NH+]1CCC(C)CC1 ZINC000060156544 823510366 /nfs/dbraw/zinc/51/03/66/823510366.db2.gz USFDLOHJTDRCIV-HNNXBMFYSA-N 1 0 383.517 4.407 20 0 GIADRO CO[C@H](C)c1nc(C[NH2+][C@@]2(CNC(=O)OC(C)(C)C)CCCC[C@@H]2C)cs1 ZINC000177677590 823512321 /nfs/dbraw/zinc/51/23/21/823512321.db2.gz HENYLBLNCOISGH-BXTJHSDWSA-N 1 0 397.585 4.414 20 0 GIADRO O=C(c1ccncc1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000060169195 823510900 /nfs/dbraw/zinc/51/09/00/823510900.db2.gz QPHLBTWOYXFHQP-UHFFFAOYSA-N 1 0 378.303 4.127 20 0 GIADRO CC1CC[NH+](Cc2ccccc2CNC(=O)c2scnc2C(F)(F)F)CC1 ZINC000410753798 823512403 /nfs/dbraw/zinc/51/24/03/823512403.db2.gz FOADEYCYBQFADP-UHFFFAOYSA-N 1 0 397.466 4.324 20 0 GIADRO CCOc1cccc([C@H](C)NC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)c1 ZINC000060185081 823511082 /nfs/dbraw/zinc/51/10/82/823511082.db2.gz RHUXYCWIRLZPET-PXNSSMCTSA-N 1 0 384.495 4.314 20 0 GIADRO CCc1sc(C(=O)NCC2CC[NH+](Cc3ccc(OC)cc3)CC2)cc1C ZINC000060185847 823511096 /nfs/dbraw/zinc/51/10/96/823511096.db2.gz SDNLPKUKVLIZSE-UHFFFAOYSA-N 1 0 386.561 4.270 20 0 GIADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)c1cc2cc(Cl)ccc2o1 ZINC000031962786 820880481 /nfs/dbraw/zinc/88/04/81/820880481.db2.gz VNKWSUNTQHVBGV-UHFFFAOYSA-N 1 0 378.925 4.178 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1cnn(-c2cccc(C)c2)c1C)c1ccsc1 ZINC000031984284 820883688 /nfs/dbraw/zinc/88/36/88/820883688.db2.gz TWEVKKHDILAMMT-OAQYLSRUSA-N 1 0 396.560 4.364 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)Oc1ccccc1Cl)c1ccsc1 ZINC000031983820 820883866 /nfs/dbraw/zinc/88/38/66/820883866.db2.gz FQAHYUOPNFRJML-RHSMWYFYSA-N 1 0 380.941 4.368 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1cnc2onc(C(C)C)c2c1)c1ccsc1 ZINC000031984998 820884307 /nfs/dbraw/zinc/88/43/07/820884307.db2.gz AANGJEOUAOCIGD-QGZVFWFLSA-N 1 0 386.521 4.221 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(OC(F)(F)F)cc1)c1ccsc1 ZINC000031987384 820884756 /nfs/dbraw/zinc/88/47/56/820884756.db2.gz GFUZBPFEXAZZMK-MRXNPFEDSA-N 1 0 386.439 4.460 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)C(C)(C)Oc1ccc(F)cc1)c1ccsc1 ZINC000031987096 820884849 /nfs/dbraw/zinc/88/48/49/820884849.db2.gz QXFSFSXSOMAPEA-GOSISDBHSA-N 1 0 378.513 4.244 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)Nc1cccc(C(F)(F)F)n1 ZINC000123474392 823512717 /nfs/dbraw/zinc/51/27/17/823512717.db2.gz BBMPSXFKFZACLF-UHFFFAOYSA-N 1 0 378.398 4.018 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)c1ccccc1Br)c1cccc(-n2ccnc2)c1 ZINC000189911374 823512739 /nfs/dbraw/zinc/51/27/39/823512739.db2.gz LHWQNSJQXLENRU-AUUYWEPGSA-N 1 0 386.293 4.019 20 0 GIADRO CCc1ccc(CN(C)C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000060244758 823513172 /nfs/dbraw/zinc/51/31/72/823513172.db2.gz ZVXTURHHFQVUKU-FQEVSTJZSA-N 1 0 385.577 4.364 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)CCCSc2ccc(Br)cc2)CC[N@@H+]1C ZINC000123487806 823513734 /nfs/dbraw/zinc/51/37/34/823513734.db2.gz RHZCKXSQPAMQJJ-GDBMZVCRSA-N 1 0 399.398 4.263 20 0 GIADRO O=C(Cc1coc(-c2ccccc2)n1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000032195464 820902101 /nfs/dbraw/zinc/90/21/01/820902101.db2.gz GDHHDGKOIQHRRG-UHFFFAOYSA-N 1 0 381.520 4.189 20 0 GIADRO O=C(Nc1ccc(Cl)cc1-n1cccn1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000189918766 823513872 /nfs/dbraw/zinc/51/38/72/823513872.db2.gz ZZLAEOIUVJLWGX-UHFFFAOYSA-N 1 0 387.915 4.008 20 0 GIADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(CSc3ccccc3)cc2)C1 ZINC000032268233 820905778 /nfs/dbraw/zinc/90/57/78/820905778.db2.gz VBTVZIWIRZQJBQ-NRFANRHFSA-N 1 0 398.572 4.066 20 0 GIADRO Cc1cc(C)n(-c2ccccc2C[NH2+][C@@H](C)CC(=O)Nc2cccnc2Cl)n1 ZINC000123492370 823514115 /nfs/dbraw/zinc/51/41/15/823514115.db2.gz UUWJHDAANHQXDD-AWEZNQCLSA-N 1 0 397.910 4.044 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1cc(-c2ccco2)on1)c1ccccc1Cl ZINC000032317860 820913892 /nfs/dbraw/zinc/91/38/92/820913892.db2.gz MFMUYKQSXBGQIH-QGZVFWFLSA-N 1 0 387.867 4.401 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1Cl ZINC000032317263 820914169 /nfs/dbraw/zinc/91/41/69/820914169.db2.gz AHPMQBSRAGZDQM-FQEVSTJZSA-N 1 0 399.922 4.038 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)/C=C/c1ccccc1OC(F)(F)F)c1ccsc1 ZINC000032369044 820927350 /nfs/dbraw/zinc/92/73/50/820927350.db2.gz IYPXLRXIARSZNC-KIUWMYQTSA-N 1 0 384.423 4.079 20 0 GIADRO Cc1ccc(Br)cc1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000460798740 823515479 /nfs/dbraw/zinc/51/54/79/823515479.db2.gz WSPQIUMIIFKTOQ-UHFFFAOYSA-N 1 0 387.321 4.283 20 0 GIADRO CCCc1cccc(C(C)C)c1NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000189961568 823518087 /nfs/dbraw/zinc/51/80/87/823518087.db2.gz PCLLUZZFNSITLQ-SFHVURJKSA-N 1 0 387.568 4.385 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1ccc(OC(F)(F)F)cc1 ZINC000032462059 820949342 /nfs/dbraw/zinc/94/93/42/820949342.db2.gz FQBXYGBZDOEPKH-UHFFFAOYSA-N 1 0 378.394 4.111 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1cc(Cl)nc2ccccc21 ZINC000032464256 820949909 /nfs/dbraw/zinc/94/99/09/820949909.db2.gz LQHDVLHYOWGTPX-UHFFFAOYSA-N 1 0 379.891 4.414 20 0 GIADRO Cc1nc([C@H]2CCCN2C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cs1 ZINC000189944237 823516611 /nfs/dbraw/zinc/51/66/11/823516611.db2.gz SFNQKWJXUYZQJP-MSOLQXFVSA-N 1 0 388.537 4.118 20 0 GIADRO CC(=O)Nc1ccc2c(C[N@@H+](C)[C@H]3CCCc4ccccc43)cc(=O)oc2c1 ZINC000032512303 820963916 /nfs/dbraw/zinc/96/39/16/820963916.db2.gz RWVKOBAPSRCZRX-NRFANRHFSA-N 1 0 376.456 4.261 20 0 GIADRO Cc1cc(Oc2ncccn2)ccc1NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000060351015 823518274 /nfs/dbraw/zinc/51/82/74/823518274.db2.gz DZZGQIMGGNRBFW-OAQYLSRUSA-N 1 0 388.471 4.180 20 0 GIADRO c1ccc(COc2ccc(C[N@H+](C[C@@H]3CCCO3)[C@@H]3CCSC3)cc2)nc1 ZINC000123532156 823518286 /nfs/dbraw/zinc/51/82/86/823518286.db2.gz JSPKYHJUUWPCDN-IRLDBZIGSA-N 1 0 384.545 4.147 20 0 GIADRO CCC(=O)N1CCCN([C@H](C)c2nnc(-c3ccc(Cl)c(Cl)c3)o2)CC1 ZINC000123525897 823517590 /nfs/dbraw/zinc/51/75/90/823517590.db2.gz RMNBYJQIHQVMJP-GFCCVEGCSA-N 1 0 397.306 4.049 20 0 GIADRO C[NH+](C)Cc1ccccc1CNC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000460806351 823517583 /nfs/dbraw/zinc/51/75/83/823517583.db2.gz PAZVTLFHXBUFKR-MOPGFXCFSA-N 1 0 377.315 4.475 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)c2nc(-c3ccco3)sc2C)CC1 ZINC000123581795 823523571 /nfs/dbraw/zinc/52/35/71/823523571.db2.gz PVOGSCCAPUASLY-UHFFFAOYSA-N 1 0 375.538 4.296 20 0 GIADRO COc1ccc2cc(C(=O)NC[C@@H](c3ccc(C)o3)[NH+]3CCCC3)c(C)nc2c1 ZINC000060355164 823518966 /nfs/dbraw/zinc/51/89/66/823518966.db2.gz DWSZLYMMEIBXRU-NRFANRHFSA-N 1 0 393.487 4.020 20 0 GIADRO Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000032703757 820994923 /nfs/dbraw/zinc/99/49/23/820994923.db2.gz NNYMVUFNLUAUAV-UHFFFAOYSA-N 1 0 393.597 4.426 20 0 GIADRO C[NH+](C)Cc1ccccc1CNC(=O)c1ccc(Cl)cc1Br ZINC000177749306 823520231 /nfs/dbraw/zinc/52/02/31/823520231.db2.gz YJHOATKBNRTCQI-UHFFFAOYSA-N 1 0 381.701 4.094 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1cc(Cl)ccc1Br)c1cccc(F)c1 ZINC000032731389 820998842 /nfs/dbraw/zinc/99/88/42/820998842.db2.gz LDYBTZUGHLOIQY-INIZCTEOSA-N 1 0 399.691 4.274 20 0 GIADRO C[C@@H](CNC(=O)COC(c1ccccc1)c1ccccc1)[N@@H+]1CCCC[C@@H]1C ZINC000032732675 820999336 /nfs/dbraw/zinc/99/93/36/820999336.db2.gz BEIQIZHUMOYZTG-PMACEKPBSA-N 1 0 380.532 4.172 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1ccccc1SC(F)(F)F)c1cccc(F)c1 ZINC000032731726 820999653 /nfs/dbraw/zinc/99/96/53/820999653.db2.gz DIQVGLNBJLEWDS-OAHLLOKOSA-N 1 0 386.414 4.470 20 0 GIADRO CCc1ccc([C@H](CNC(=O)CCSc2ccc(OC)cc2)[NH+](C)C)cc1 ZINC000032734066 821000072 /nfs/dbraw/zinc/00/00/72/821000072.db2.gz QPIIJSPASOCAKP-NRFANRHFSA-N 1 0 386.561 4.159 20 0 GIADRO Cc1noc2nc(-c3ccccc3)cc(C(=O)NC[C@H](C)[N@@H+]3CCCC[C@@H]3C)c12 ZINC000032734969 821001074 /nfs/dbraw/zinc/00/10/74/821001074.db2.gz QATINHXBHCMKCV-HOTGVXAUSA-N 1 0 392.503 4.191 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)[C@@H](C)c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000460817348 823520693 /nfs/dbraw/zinc/52/06/93/823520693.db2.gz YSJGQVTZAJCFQT-JXFKEZNVSA-N 1 0 386.923 4.405 20 0 GIADRO O=C(CSc1ccccc1Cl)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000032761404 821004185 /nfs/dbraw/zinc/00/41/85/821004185.db2.gz PZYOSDKGDUYRCS-HNNXBMFYSA-N 1 0 380.966 4.447 20 0 GIADRO Cc1onc(-c2ccccc2)c1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000032761894 821004425 /nfs/dbraw/zinc/00/44/25/821004425.db2.gz YUJHLOUBJIUSTE-KRWDZBQOSA-N 1 0 381.501 4.278 20 0 GIADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1cc(Br)ccc1F ZINC000032761600 821004647 /nfs/dbraw/zinc/00/46/47/821004647.db2.gz VNQQWOOSYYYKHU-HNNXBMFYSA-N 1 0 397.313 4.217 20 0 GIADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1cc(-c2ccccc2F)on1 ZINC000032763129 821005034 /nfs/dbraw/zinc/00/50/34/821005034.db2.gz ZYGHDVVRYCVARQ-KRWDZBQOSA-N 1 0 385.464 4.109 20 0 GIADRO Cc1sc(-c2ccco2)nc1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000032762792 821005341 /nfs/dbraw/zinc/00/53/41/821005341.db2.gz IXJRFZMROGRYLB-CQSZACIVSA-N 1 0 387.530 4.340 20 0 GIADRO CCCc1cccc(C(C)C)c1NC(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000189982440 823521237 /nfs/dbraw/zinc/52/12/37/823521237.db2.gz VCEXHLPPSFJYJF-UHFFFAOYSA-N 1 0 398.551 4.420 20 0 GIADRO Cc1c(O)ccc2c(C[NH2+][C@@H](C)c3ccc(Br)cc3)cc(=O)oc12 ZINC000032791466 821008508 /nfs/dbraw/zinc/00/85/08/821008508.db2.gz PBUJIFKOEXVFRG-LBPRGKRZSA-N 1 0 388.261 4.420 20 0 GIADRO CCCC[N@H+](C)CC(=O)N1N=C(c2cc3ccccc3o2)C[C@H]1c1ccco1 ZINC000032799811 821009062 /nfs/dbraw/zinc/00/90/62/821009062.db2.gz PGYRWNQCOITMGT-SFHVURJKSA-N 1 0 379.460 4.435 20 0 GIADRO CCCc1cc[n+](C(C(=O)c2ccc(OC(F)F)cc2)C(=S)NCC)cc1 ZINC000032813724 821010814 /nfs/dbraw/zinc/01/08/14/821010814.db2.gz CTUUOKIJTMRHPB-UHFFFAOYSA-O 1 0 393.479 4.076 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)c2cc(C)n(Cc3ccccn3)c2C)CC1 ZINC000123566692 823522065 /nfs/dbraw/zinc/52/20/65/823522065.db2.gz QIWHNQYPWVIMFO-UHFFFAOYSA-N 1 0 396.579 4.132 20 0 GIADRO CC(C)(C)OC(=O)N1CCC(C[NH2+][C@@H](c2ccccc2)c2cccnc2)CC1 ZINC000177763013 823522110 /nfs/dbraw/zinc/52/21/10/823522110.db2.gz PTGNBTDMSBUPLF-NRFANRHFSA-N 1 0 381.520 4.408 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)c2ccc(-n3cnc4ccccc43)cc2)c1 ZINC000033084408 821031899 /nfs/dbraw/zinc/03/18/99/821031899.db2.gz RPMANPYIXFINEE-UHFFFAOYSA-N 1 0 384.483 4.017 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)CCCCc2ccc(Br)cc2)CC1 ZINC000060403850 823524102 /nfs/dbraw/zinc/52/41/02/823524102.db2.gz WUPUBSFGJDAJMZ-UHFFFAOYSA-N 1 0 395.385 4.495 20 0 GIADRO CCOc1ccc(C(=O)Nc2cc(Cl)ccc2N2CC[NH+](CC)CC2)cc1 ZINC000060439466 823527824 /nfs/dbraw/zinc/52/78/24/823527824.db2.gz XIFUOSXUPYJKKA-UHFFFAOYSA-N 1 0 387.911 4.133 20 0 GIADRO Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[NH2+]CCCOC[C@@H]1CCOC1 ZINC000123632091 823527911 /nfs/dbraw/zinc/52/79/11/823527911.db2.gz VUZIEXBSOCGNBM-HNNXBMFYSA-N 1 0 398.334 4.020 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 ZINC000177806980 823528274 /nfs/dbraw/zinc/52/82/74/823528274.db2.gz LIFDSMJQPABPPU-MSOLQXFVSA-N 1 0 390.959 4.421 20 0 GIADRO C[NH+](C)C1(CNc2ncc(C(=O)N3CCCCC3)cc2Cl)CCCCC1 ZINC000060445825 823528603 /nfs/dbraw/zinc/52/86/03/823528603.db2.gz WPPCRHKGGOJMGP-UHFFFAOYSA-N 1 0 378.948 4.038 20 0 GIADRO Cc1[nH]c2ccc(C(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3C)cc2c1C ZINC000036036959 821067907 /nfs/dbraw/zinc/06/79/07/821067907.db2.gz PZLPSSGRYUGXDG-UHFFFAOYSA-N 1 0 376.504 4.097 20 0 GIADRO FC(F)(F)c1ccc(-c2ccc(C[NH2+]CCCOC[C@@H]3CCOC3)o2)cc1 ZINC000123648866 823529060 /nfs/dbraw/zinc/52/90/60/823529060.db2.gz OTMHXOSOALGMJZ-HNNXBMFYSA-N 1 0 383.410 4.498 20 0 GIADRO CC[C@@H]([NH2+]CCCS(=O)(=O)c1ccccc1)c1ccccc1OC(F)F ZINC000177812177 823529041 /nfs/dbraw/zinc/52/90/41/823529041.db2.gz NOCVAWPQTOJJPY-QGZVFWFLSA-N 1 0 383.460 4.193 20 0 GIADRO CC1CC[NH+]([C@@H](CNC(=O)CCC(=O)c2cccs2)c2cccs2)CC1 ZINC000036310306 821071071 /nfs/dbraw/zinc/07/10/71/821071071.db2.gz DBECMGNGEJKUAM-INIZCTEOSA-N 1 0 390.574 4.362 20 0 GIADRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cnn(-c2cccc(Cl)c2)c1C ZINC000060452513 823529176 /nfs/dbraw/zinc/52/91/76/823529176.db2.gz JNOYRHLUXQEEAD-HNNXBMFYSA-N 1 0 376.932 4.074 20 0 GIADRO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000036664143 821074852 /nfs/dbraw/zinc/07/48/52/821074852.db2.gz HPHZBWDWGMWZAM-WMLDXEAASA-N 1 0 393.314 4.151 20 0 GIADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2ccc(SC(F)(F)F)cc2)o1 ZINC000060407431 823524292 /nfs/dbraw/zinc/52/42/92/823524292.db2.gz XMBMRZJUTPSKSU-UHFFFAOYSA-N 1 0 386.439 4.404 20 0 GIADRO O=C(NCc1sccc1Br)C1CC[NH+](Cc2ccccc2)CC1 ZINC000060455090 823529562 /nfs/dbraw/zinc/52/95/62/823529562.db2.gz PDHKSYKQDJUINQ-UHFFFAOYSA-N 1 0 393.350 4.039 20 0 GIADRO CC(C)=CCNC(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000460835495 823525446 /nfs/dbraw/zinc/52/54/46/823525446.db2.gz FJTAAKOSLQEOLT-UHFFFAOYSA-N 1 0 394.357 4.021 20 0 GIADRO COc1cc(C[N@H+](Cc2cc(Cl)c(OC)c(OC)c2)C2CC2)ccc1O ZINC000190014423 823526093 /nfs/dbraw/zinc/52/60/93/823526093.db2.gz OELXOIQKDWZJLL-UHFFFAOYSA-N 1 0 377.868 4.236 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C2CC2)nc2ccc(Cl)cc21 ZINC000177791005 823526454 /nfs/dbraw/zinc/52/64/54/823526454.db2.gz WKUTZVZITKQZTC-SJORKVTESA-N 1 0 383.923 4.464 20 0 GIADRO COC(=O)C[C@](C)([NH2+]C[C@H](C)c1cccc(Br)c1)c1ccncc1 ZINC000190022215 823527063 /nfs/dbraw/zinc/52/70/63/823527063.db2.gz QVOQHSYNIMWIOO-LIRRHRJNSA-N 1 0 391.309 4.016 20 0 GIADRO CN(C)c1ccc(C[NH2+]Cc2cc(Br)ccc2OC(F)F)cc1 ZINC000061030456 823574294 /nfs/dbraw/zinc/57/42/94/823574294.db2.gz YTCOFOYYQUOTMH-UHFFFAOYSA-N 1 0 385.252 4.406 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(COc2cccc(F)c2)c1 ZINC000177815804 823529879 /nfs/dbraw/zinc/52/98/79/823529879.db2.gz LCNDJRZRWGOFCB-RTWAWAEBSA-N 1 0 382.479 4.104 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)CC1 ZINC000039564028 821115977 /nfs/dbraw/zinc/11/59/77/821115977.db2.gz WVLAKNAHFCJGFS-UHFFFAOYSA-N 1 0 389.540 4.226 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000177848912 823535964 /nfs/dbraw/zinc/53/59/64/823535964.db2.gz LSOWNGSNTZXATR-OLZOCXBDSA-N 1 0 375.822 4.449 20 0 GIADRO O=C(C[NH2+]Cc1cccc(C(F)(F)F)c1)Nc1ccc(Br)cc1 ZINC000060462959 823530779 /nfs/dbraw/zinc/53/07/79/823530779.db2.gz ZMTIJODLPTYFGT-UHFFFAOYSA-N 1 0 387.199 4.196 20 0 GIADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)Nc1cccc(C(F)(F)F)n1 ZINC000123682600 823531422 /nfs/dbraw/zinc/53/14/22/823531422.db2.gz CTRNRQXMMNTKSI-GFCCVEGCSA-N 1 0 384.427 4.121 20 0 GIADRO C[C@@H]([NH2+][C@H]1CC(C)(C)Oc2cc(F)ccc21)c1ccc(S(C)(=O)=O)cc1 ZINC000177826421 823531878 /nfs/dbraw/zinc/53/18/78/823531878.db2.gz QKFRAGMIWKEBGC-ACJLOTCBSA-N 1 0 377.481 4.182 20 0 GIADRO CCN(C(=O)Nc1ccc2c(c1)COC2)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000123691952 823532252 /nfs/dbraw/zinc/53/22/52/823532252.db2.gz CXFGURAQZGIRJL-HTAPYJJXSA-N 1 0 379.504 4.406 20 0 GIADRO Cc1cc(-c2nnc(N3CCC[N@@H+](C4CCCC4)CC3)n2CC(C)C)c(C)o1 ZINC000460866106 823532309 /nfs/dbraw/zinc/53/23/09/823532309.db2.gz XIZMSAQIZWYVOG-UHFFFAOYSA-N 1 0 385.556 4.266 20 0 GIADRO COc1cccc(OC)c1OC1CC[NH+](Cc2ccc(OC(F)F)cc2)CC1 ZINC000060477824 823532597 /nfs/dbraw/zinc/53/25/97/823532597.db2.gz WWEVTMBYQXNXRT-UHFFFAOYSA-N 1 0 393.430 4.349 20 0 GIADRO Cc1nc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c(-c2ccccc2)s1 ZINC000040327078 821158549 /nfs/dbraw/zinc/15/85/49/821158549.db2.gz FELVMPWLOWXKOG-QGZVFWFLSA-N 1 0 381.501 4.278 20 0 GIADRO CCOC1CC[NH+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000060484339 823533285 /nfs/dbraw/zinc/53/32/85/823533285.db2.gz WMMBPGDHYOPYRU-GOSISDBHSA-N 1 0 385.335 4.158 20 0 GIADRO O=C(CCc1ncc(-c2ccccc2)o1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000041020162 821167229 /nfs/dbraw/zinc/16/72/29/821167229.db2.gz NPAFPRHIBNIRGO-LJQANCHMSA-N 1 0 393.487 4.211 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)CCc1ncc(-c2ccccc2)o1)c1ccccc1 ZINC000041020055 821167385 /nfs/dbraw/zinc/16/73/85/821167385.db2.gz TXWADFQXOKWTDX-OAQYLSRUSA-N 1 0 391.515 4.474 20 0 GIADRO C[N@H+](CC[C@@H]1CCCO1)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC000190073229 823534017 /nfs/dbraw/zinc/53/40/17/823534017.db2.gz PBLDHKQCVSDGOW-IRXDYDNUSA-N 1 0 398.341 4.008 20 0 GIADRO Cn1ccc2cccc(NC(=O)NC[C@H]3CCC[N@H+](Cc4cccs4)C3)c21 ZINC000190075332 823534399 /nfs/dbraw/zinc/53/43/99/823534399.db2.gz HUZFSXZLDLMCLK-MRXNPFEDSA-N 1 0 382.533 4.274 20 0 GIADRO Cc1cc(C)c(C(=O)C(C(=S)NC2CC2)[n+]2ccc3c(c2)CCCC3)cc1C ZINC000041465642 821194649 /nfs/dbraw/zinc/19/46/49/821194649.db2.gz ZIKYXCKOSRGJAJ-UHFFFAOYSA-O 1 0 393.576 4.469 20 0 GIADRO CC(C)[N@@H+]1CCCN(C(=O)c2cc(NC(=O)CC(C)(C)C)ccc2Cl)CC1 ZINC000460879899 823535058 /nfs/dbraw/zinc/53/50/58/823535058.db2.gz IPNRVWLGGUPQEJ-UHFFFAOYSA-N 1 0 393.959 4.271 20 0 GIADRO COc1ccccc1NC(=O)c1ccc(NC(=O)CC[N@@H+]2CC[C@H](C)[C@H]2C)cc1 ZINC000177882726 823540909 /nfs/dbraw/zinc/54/09/09/823540909.db2.gz PNYHYWLDEBMFQE-DLBZAZTESA-N 1 0 395.503 4.006 20 0 GIADRO C[C@@H](CNC(=O)C(C)(C)c1ccc(Br)cc1)[N@@H+]1CCCC[C@H]1C ZINC000060516531 823537416 /nfs/dbraw/zinc/53/74/16/823537416.db2.gz GURMRQPMGQJOFI-CABCVRRESA-N 1 0 381.358 4.106 20 0 GIADRO CC(C)c1ccc(-c2noc(CCC(=O)NCC(C)(C)[NH+]3CCCCC3)n2)cc1 ZINC000041798338 821231495 /nfs/dbraw/zinc/23/14/95/821231495.db2.gz JQRVUJYAGNDWDA-UHFFFAOYSA-N 1 0 398.551 4.173 20 0 GIADRO CCn1cnnc1-c1cccc(NC(=O)c2ccc(C[NH+](CC)CC)cc2)c1 ZINC000041838403 821235332 /nfs/dbraw/zinc/23/53/32/821235332.db2.gz BAOUUJZZPRHXFB-UHFFFAOYSA-N 1 0 377.492 4.059 20 0 GIADRO CCOC(=O)N1CCC([NH2+]Cc2cc(OC)c(OC)cc2-c2ccccc2)CC1 ZINC000060523624 823538341 /nfs/dbraw/zinc/53/83/41/823538341.db2.gz YDZKNTPGXDQDGX-UHFFFAOYSA-N 1 0 398.503 4.081 20 0 GIADRO CC[C@@H](NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)c1c(C)noc1C ZINC000123761273 823538386 /nfs/dbraw/zinc/53/83/86/823538386.db2.gz YXYHBYPSVGXYJM-RTBURBONSA-N 1 0 376.545 4.040 20 0 GIADRO Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000123764826 823538602 /nfs/dbraw/zinc/53/86/02/823538602.db2.gz NIAJDZXFZKFPDR-KRWDZBQOSA-N 1 0 388.556 4.079 20 0 GIADRO CO[C@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1)c1ccccc1 ZINC000060528372 823538773 /nfs/dbraw/zinc/53/87/73/823538773.db2.gz GZOFBIBXRJONLW-HSZRJFAPSA-N 1 0 384.483 4.412 20 0 GIADRO COc1ccc(C[NH2+]C[C@H](O)c2ccccc2Cl)cc1OCc1cccnc1 ZINC000123791469 823541168 /nfs/dbraw/zinc/54/11/68/823541168.db2.gz YVAGKHQIEBUVPA-FQEVSTJZSA-N 1 0 398.890 4.146 20 0 GIADRO Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000177870447 823539123 /nfs/dbraw/zinc/53/91/23/823539123.db2.gz SGBGHWUYNFDYQL-XGCWNURASA-N 1 0 381.545 4.202 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)C(=O)N[C@@H](c2ccccc2)C2CCCCC2)c1 ZINC000042051164 821257944 /nfs/dbraw/zinc/25/79/44/821257944.db2.gz KKTVISXOWDVROZ-QFIPXVFZSA-N 1 0 393.531 4.125 20 0 GIADRO O=C(NC1CC[NH+](C2CC2)CC1)N1CCC(c2cccc3ccccc32)CC1 ZINC000060536023 823539567 /nfs/dbraw/zinc/53/95/67/823539567.db2.gz UHLPCJAXJHCPEX-UHFFFAOYSA-N 1 0 377.532 4.356 20 0 GIADRO C[C@@H]1CN(C(=O)Nc2ccccc2SC2CCCC2)CC[N@@H+]1CC(C)(C)O ZINC000190118274 823539653 /nfs/dbraw/zinc/53/96/53/823539653.db2.gz QEJRFZZTTCRSHQ-MRXNPFEDSA-N 1 0 391.581 4.030 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](Cc2ccccc2)c2sccc2C)C1 ZINC000177879979 823540359 /nfs/dbraw/zinc/54/03/59/823540359.db2.gz QWYOZCVJVMNLQT-PMACEKPBSA-N 1 0 385.577 4.324 20 0 GIADRO CCN(C(=O)Cc1ccc(C)c(OC)c1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000060543776 823540363 /nfs/dbraw/zinc/54/03/63/823540363.db2.gz BAQCBMCIRZNYOJ-SIKLNZKXSA-N 1 0 380.532 4.230 20 0 GIADRO COc1ccc2c(c1)CCN2C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000060545704 823540647 /nfs/dbraw/zinc/54/06/47/823540647.db2.gz QCPZTHHDBWGLMM-NRFANRHFSA-N 1 0 399.922 4.258 20 0 GIADRO Cc1cc(F)ccc1C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123785732 823540728 /nfs/dbraw/zinc/54/07/28/823540728.db2.gz KKGPOKVFUVETKZ-IFXJQAMLSA-N 1 0 378.850 4.349 20 0 GIADRO C[NH+]1CCN(Cc2ccc(NC(=O)C3(c4ccc(F)cc4)CCCC3)cc2)CC1 ZINC000060547313 823540757 /nfs/dbraw/zinc/54/07/57/823540757.db2.gz YIICMSGHNISNQN-UHFFFAOYSA-N 1 0 395.522 4.024 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@@H](C)C(=O)NCc2ccc(C)cc2)ccc1OC(C)C ZINC000042182951 821279673 /nfs/dbraw/zinc/27/96/73/821279673.db2.gz NVWYPLDPVCFGLO-MSOLQXFVSA-N 1 0 384.520 4.146 20 0 GIADRO COc1ccc([C@@H](CNC(=O)c2c(F)cccc2Cl)[NH+]2CCCCC2)cc1 ZINC000042369870 821305107 /nfs/dbraw/zinc/30/51/07/821305107.db2.gz BWWANIWXNNXOHY-LJQANCHMSA-N 1 0 390.886 4.445 20 0 GIADRO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc3ccccc3c2)c(OC)c1 ZINC000042385039 821305801 /nfs/dbraw/zinc/30/58/01/821305801.db2.gz CBDJAGPSAPEUNO-MRXNPFEDSA-N 1 0 378.472 4.316 20 0 GIADRO CCC[C@H](C)C(=O)NCCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000042495807 821309083 /nfs/dbraw/zinc/30/90/83/821309083.db2.gz YYWMNNQAJPYZPD-KRWDZBQOSA-N 1 0 399.501 4.160 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1cnn(-c2ccccc2)c1C ZINC000042699788 821325726 /nfs/dbraw/zinc/32/57/26/821325726.db2.gz LURPMRWAZXVZFJ-UHFFFAOYSA-N 1 0 392.503 4.154 20 0 GIADRO COc1ccc(F)cc1[C@@H](C)[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000042797224 821333696 /nfs/dbraw/zinc/33/36/96/821333696.db2.gz DZXBCJQDYBULRO-SNVBAGLBSA-N 1 0 382.229 4.176 20 0 GIADRO CC[NH+](CC)CCCNC(=O)N[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000043003716 821354044 /nfs/dbraw/zinc/35/40/44/821354044.db2.gz KIXYHWGHLVIMRN-GOSISDBHSA-N 1 0 396.535 4.031 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)CSc1nc2ccccc2o1 ZINC000043086373 821359261 /nfs/dbraw/zinc/35/92/61/821359261.db2.gz VBIJUKZJOUHNJB-UHFFFAOYSA-N 1 0 383.517 4.077 20 0 GIADRO Cc1nc(C(F)(F)F)ccc1C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000043086979 821359455 /nfs/dbraw/zinc/35/94/55/821359455.db2.gz YXBLWVXIXROMEP-UHFFFAOYSA-N 1 0 379.426 4.179 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)Nc1cccc(Br)c1 ZINC000043134558 821366013 /nfs/dbraw/zinc/36/60/13/821366013.db2.gz BQRAFVMYMIQTEC-HNNXBMFYSA-N 1 0 378.270 4.001 20 0 GIADRO COc1ccc([C@@H]2CCCN2C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000043137268 821366622 /nfs/dbraw/zinc/36/66/22/821366622.db2.gz KYRZXZFGOPOGRT-SFTDATJTSA-N 1 0 397.519 4.362 20 0 GIADRO CN(Cc1ccccc1C(F)(F)F)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000043168100 821372700 /nfs/dbraw/zinc/37/27/00/821372700.db2.gz CPUKBDLLTSGNPP-QGZVFWFLSA-N 1 0 395.425 4.277 20 0 GIADRO CC(C)n1cnnc1[C@H]1CCC[N@H+](Cc2ccc(SC(=O)N(C)C)cc2)C1 ZINC000180628937 821374664 /nfs/dbraw/zinc/37/46/64/821374664.db2.gz RPGNNUGJHGQEQX-KRWDZBQOSA-N 1 0 387.553 4.012 20 0 GIADRO COc1ccc([C@@H]([NH2+]CCc2cccc(C(=O)N(C)C)c2)c2ccccc2)cc1 ZINC000180630356 821375210 /nfs/dbraw/zinc/37/52/10/821375210.db2.gz ZEZPEAROZQQSFS-DEOSSOPVSA-N 1 0 388.511 4.319 20 0 GIADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N1CCC[C@@H]1c1cccs1 ZINC000043231957 821378087 /nfs/dbraw/zinc/37/80/87/821378087.db2.gz TXPYGWBMCYETQI-CVEARBPZSA-N 1 0 375.563 4.493 20 0 GIADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)Nc2ccc(F)c(F)c2F)CC1 ZINC000043232790 821378640 /nfs/dbraw/zinc/37/86/40/821378640.db2.gz VGAPGIZQIXTHFR-UHFFFAOYSA-N 1 0 377.410 4.152 20 0 GIADRO CCN(c1ccc(NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1)C(C)C ZINC000180640388 821378942 /nfs/dbraw/zinc/37/89/42/821378942.db2.gz AABHQSONTCQGRB-UHFFFAOYSA-N 1 0 395.551 4.354 20 0 GIADRO Cn1ccnc1[C@H](O)[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3F)s2)C1 ZINC000180647734 821381521 /nfs/dbraw/zinc/38/15/21/821381521.db2.gz PYCRWACGLKWKHB-FOIQADDNSA-N 1 0 385.508 4.233 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)Nc1ccc(Br)cc1F ZINC000043260234 821382006 /nfs/dbraw/zinc/38/20/06/821382006.db2.gz CVFJQLMIXFWYMD-HNNXBMFYSA-N 1 0 396.260 4.140 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(Br)cc1F)c1cccs1 ZINC000043260258 821382287 /nfs/dbraw/zinc/38/22/87/821382287.db2.gz YWHXRIFNDSVHLT-ZDUSSCGKSA-N 1 0 386.290 4.074 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)CCCc2nc3ccccc3[nH]2)c1 ZINC000043274116 821385152 /nfs/dbraw/zinc/38/51/52/821385152.db2.gz KXXWBWYQYPTFCB-UHFFFAOYSA-N 1 0 378.520 4.044 20 0 GIADRO CC[NH+]1CCC(NC(=O)N[C@H](c2cccs2)c2ccc(Cl)cc2)CC1 ZINC000043291603 821387333 /nfs/dbraw/zinc/38/73/33/821387333.db2.gz XBQMTTFNGYDZCU-SFHVURJKSA-N 1 0 377.941 4.274 20 0 GIADRO COC(=O)CC[C@H]([NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1)c1ccccc1 ZINC000180667371 821388274 /nfs/dbraw/zinc/38/82/74/821388274.db2.gz FTILLXCKGGWWBX-UWJYYQICSA-N 1 0 380.488 4.159 20 0 GIADRO COc1cccc([C@H](CNC(=O)N2CCC[C@H]2c2ccsc2)[NH+]2CCCC2)c1 ZINC000043307002 821389410 /nfs/dbraw/zinc/38/94/10/821389410.db2.gz LPGREUPLTZKAOD-SFTDATJTSA-N 1 0 399.560 4.440 20 0 GIADRO Cc1ccc(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c(Br)c1 ZINC000043328478 821392827 /nfs/dbraw/zinc/39/28/27/821392827.db2.gz RNWGRRQRXSGTRZ-MRXNPFEDSA-N 1 0 392.297 4.309 20 0 GIADRO COc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCOc1ccccc1C(F)(F)F ZINC000180678600 821392922 /nfs/dbraw/zinc/39/29/22/821392922.db2.gz ORCOUEPTGWENJN-CQSZACIVSA-N 1 0 396.409 4.100 20 0 GIADRO CCN1CC[NH+](CCCCNC(=O)Nc2ccccc2Oc2ccccc2)CC1 ZINC000043348450 821396354 /nfs/dbraw/zinc/39/63/54/821396354.db2.gz YBIROJOLUUYZQU-UHFFFAOYSA-N 1 0 396.535 4.018 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1)c1ccc(-n2ccnc2)cc1 ZINC000180690281 821396679 /nfs/dbraw/zinc/39/66/79/821396679.db2.gz YRKILQSZXVQXJH-AUUYWEPGSA-N 1 0 375.394 4.275 20 0 GIADRO C[C@@H]([NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1)c1cccc(N2CCOC2=O)c1 ZINC000180692780 821398279 /nfs/dbraw/zinc/39/82/79/821398279.db2.gz YFCGVDQDQREFSA-ACJLOTCBSA-N 1 0 394.393 4.046 20 0 GIADRO COc1ccccc1[C@H]([NH2+]C1CCN(Cc2ccncc2)CC1)c1ccccc1 ZINC000180695082 821399324 /nfs/dbraw/zinc/39/93/24/821399324.db2.gz NZLPWOMXPLLGEM-RUZDIDTESA-N 1 0 387.527 4.434 20 0 GIADRO CN(C)c1ccc(CNC(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)cn1 ZINC000043391004 821401141 /nfs/dbraw/zinc/40/11/41/821401141.db2.gz QBEAERWPUDGCDA-UHFFFAOYSA-N 1 0 395.551 4.234 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Nc1cc(OC)c(OC)cc1C)c1ccsc1 ZINC000043404166 821402389 /nfs/dbraw/zinc/40/23/89/821402389.db2.gz LQESPDBKJCXXKE-QGZVFWFLSA-N 1 0 391.537 4.278 20 0 GIADRO O[C@]1(C[NH2+][C@H](c2cccc(F)c2)c2cccc(Br)c2)CCSC1 ZINC000180703635 821405732 /nfs/dbraw/zinc/40/57/32/821405732.db2.gz SGVWNURRMGDTEX-ROUUACIJSA-N 1 0 396.325 4.135 20 0 GIADRO Cc1ccccc1NC(=O)C[C@H](C)[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000180707070 821408309 /nfs/dbraw/zinc/40/83/09/821408309.db2.gz LFVWRJSRAPWDLU-HNNXBMFYSA-N 1 0 398.894 4.248 20 0 GIADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N2CCCCCCC2)CC1 ZINC000043454821 821409793 /nfs/dbraw/zinc/40/97/93/821409793.db2.gz ZRNDHSIUARNAIV-UHFFFAOYSA-N 1 0 378.948 4.280 20 0 GIADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N2CCc3ccccc3C2)CC1 ZINC000043454897 821409891 /nfs/dbraw/zinc/40/98/91/821409891.db2.gz OLTIQPXQFICDFM-UHFFFAOYSA-N 1 0 398.938 4.072 20 0 GIADRO CCOc1cccc([C@@H](C)[NH2+]CC(=O)N[C@H](c2ccc(OC)cc2)C2CC2)c1 ZINC000180715911 821414274 /nfs/dbraw/zinc/41/42/74/821414274.db2.gz YIKQHIQJSHTXSK-MWTRTKDXSA-N 1 0 382.504 4.012 20 0 GIADRO 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 821415039 /nfs/dbraw/zinc/41/50/39/821415039.db2.gz KVVBRKKGASOYKL-FSPWUOQZSA-N 1 0 383.458 4.281 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@@H]1CCSc2ccccc21 ZINC000043489762 821415830 /nfs/dbraw/zinc/41/58/30/821415830.db2.gz ZEIRALWTBHYJFG-HXUWFJFHSA-N 1 0 396.560 4.105 20 0 GIADRO CCN(Cc1ccccc1)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000043523138 821422442 /nfs/dbraw/zinc/42/24/42/821422442.db2.gz YSCGMUJQQLHKBT-UHFFFAOYSA-N 1 0 380.536 4.191 20 0 GIADRO CC(C)OCc1c2ccccc2oc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000043544910 821424121 /nfs/dbraw/zinc/42/41/21/821424121.db2.gz YSUDXPOGHNPHIF-IBGZPJMESA-N 1 0 392.499 4.362 20 0 GIADRO COc1cc(OC)c([C@@H](C)NCC2([NH+]3CCCCC3)CCOCC2)cc1Cl ZINC000180737594 821425667 /nfs/dbraw/zinc/42/56/67/821425667.db2.gz NFDNPVUWNPAIIG-MRXNPFEDSA-N 1 0 396.959 4.043 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)N(C)[C@H]2CCCc3ccccc32)CC1 ZINC000043574510 821428570 /nfs/dbraw/zinc/42/85/70/821428570.db2.gz JJDWKTLFKKMDDV-QFIPXVFZSA-N 1 0 392.547 4.370 20 0 GIADRO CCc1ccc([C@H](COC)[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)o1 ZINC000180744307 821430335 /nfs/dbraw/zinc/43/03/35/821430335.db2.gz VQZRYVWGLZYXPZ-MMNRESRNSA-N 1 0 378.513 4.050 20 0 GIADRO CS(=O)(=O)c1cccc([C@H]([NH2+]C[C@H]2CCCS2)c2ccc(Cl)cc2)c1 ZINC000180753122 821434595 /nfs/dbraw/zinc/43/45/95/821434595.db2.gz LUJWNFFWQZIFRN-IEBWSBKVSA-N 1 0 395.977 4.318 20 0 GIADRO CC[NH+](CC)CCOc1ccc(NC(=O)c2cccc(NC(=O)C3CC3)c2)cc1 ZINC000043687151 821441319 /nfs/dbraw/zinc/44/13/19/821441319.db2.gz SOAGBBGFGCXISA-UHFFFAOYSA-N 1 0 395.503 4.008 20 0 GIADRO C[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1cccc(OCc2ccccc2)c1 ZINC000180766921 821443370 /nfs/dbraw/zinc/44/33/70/821443370.db2.gz QFYJCYTUEQCMPP-KXBFYZLASA-N 1 0 392.421 4.079 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@H]1c1c(C)n[nH]c1C)c1ccsc1 ZINC000180771865 821446122 /nfs/dbraw/zinc/44/61/22/821446122.db2.gz FCUCYQNHOSCAJJ-ROUUACIJSA-N 1 0 389.569 4.018 20 0 GIADRO O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000043717999 821446373 /nfs/dbraw/zinc/44/63/73/821446373.db2.gz JXTGQMDYGLBLJQ-FQEVSTJZSA-N 1 0 375.944 4.309 20 0 GIADRO COc1ccc([C@H]([NH2+][C@H]2CCN(C(=O)C3CCCC3)C2)c2ccccc2)cc1 ZINC000180781178 821453765 /nfs/dbraw/zinc/45/37/65/821453765.db2.gz IXLWWTOAJJKREC-JTHBVZDNSA-N 1 0 378.516 4.165 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1cc(-c2cccs2)on1 ZINC000180781625 821454745 /nfs/dbraw/zinc/45/47/45/821454745.db2.gz VNTHQVGWUYMKQM-UHFFFAOYSA-N 1 0 396.516 4.177 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)c2cc3cnn(C(C)C)c3nc2C)c1 ZINC000043765700 821454850 /nfs/dbraw/zinc/45/48/50/821454850.db2.gz CJQOXSLHLFAPKI-UHFFFAOYSA-N 1 0 379.508 4.415 20 0 GIADRO c1cn(C[C@@H]2CCC[N@H+](Cc3ccc(-c4nc5ccccc5s4)o3)C2)nn1 ZINC000180797379 821464022 /nfs/dbraw/zinc/46/40/22/821464022.db2.gz KJQPYIZKPOWGAH-OAHLLOKOSA-N 1 0 379.489 4.060 20 0 GIADRO Cc1cccc([C@H]([NH2+]Cc2ccc(S(=O)(=O)N3CCCC3)o2)C(C)(C)C)c1 ZINC000180799162 821464597 /nfs/dbraw/zinc/46/45/97/821464597.db2.gz OCCQQEJAWBLICL-FQEVSTJZSA-N 1 0 390.549 4.250 20 0 GIADRO Cc1cc2ncc([C@H](C)[NH2+]CCCOc3cccc4cccnc43)c(C)n2n1 ZINC000180804670 821467467 /nfs/dbraw/zinc/46/74/67/821467467.db2.gz ZFMGSKDSDVUQBF-INIZCTEOSA-N 1 0 375.476 4.014 20 0 GIADRO COc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCCOc1cccc2cccnc21 ZINC000180804419 821467610 /nfs/dbraw/zinc/46/76/10/821467610.db2.gz LVJQJCDXGULCDK-QGZVFWFLSA-N 1 0 393.487 4.019 20 0 GIADRO C[C@H]([NH2+]CCCOc1cccc2cccnc21)c1cccc(N2CCOC2=O)c1 ZINC000180804699 821467966 /nfs/dbraw/zinc/46/79/66/821467966.db2.gz QEQJRNJMEPRJTP-KRWDZBQOSA-N 1 0 391.471 4.311 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+]CCCOc2cccc3cccnc32)s1 ZINC000180804917 821468068 /nfs/dbraw/zinc/46/80/68/821468068.db2.gz BCCOSOWKFLCIDV-HNNXBMFYSA-N 1 0 385.533 4.308 20 0 GIADRO CC(C)(C)S(=O)(=O)CC[NH2+][C@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000180806544 821469691 /nfs/dbraw/zinc/46/96/91/821469691.db2.gz CTBWZWXQRLRFPP-HNNXBMFYSA-N 1 0 396.553 4.130 20 0 GIADRO Cc1cccc(C[NH2+]C[C@@H]2CCN(c3cccc(Br)c3)C2)c1O ZINC000180808652 821470872 /nfs/dbraw/zinc/47/08/72/821470872.db2.gz MYSAORVFBNYRII-HNNXBMFYSA-N 1 0 375.310 4.079 20 0 GIADRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000180821518 821480865 /nfs/dbraw/zinc/48/08/65/821480865.db2.gz IKYHTFBHJCNLDG-ZJUUUORDSA-N 1 0 391.377 4.198 20 0 GIADRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cc(C)c(OCc3cccc(C)c3)c(C)c2)C1 ZINC000180825251 821482426 /nfs/dbraw/zinc/48/24/26/821482426.db2.gz YYRPZPAXSVZNDC-QHCPKHFHSA-N 1 0 394.559 4.491 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CCc2nc3c(s2)CCCC3)cc1Cn1cccn1 ZINC000180838989 821488645 /nfs/dbraw/zinc/48/86/45/821488645.db2.gz OGGOMCBCCRGKHR-MRXNPFEDSA-N 1 0 396.560 4.169 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)Nc2ccc(OCC(F)(F)F)cc2)c1 ZINC000043918706 821489087 /nfs/dbraw/zinc/48/90/87/821489087.db2.gz GTSAHALRWKHPDC-UHFFFAOYSA-N 1 0 381.398 4.011 20 0 GIADRO COC[C@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1)c1ccccc1 ZINC000180844564 821490756 /nfs/dbraw/zinc/49/07/56/821490756.db2.gz ZQQFHTYMJQCKPZ-JTSKRJEESA-N 1 0 387.545 4.441 20 0 GIADRO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000180846368 821492130 /nfs/dbraw/zinc/49/21/30/821492130.db2.gz WRELIRNPOQYMMH-MRXNPFEDSA-N 1 0 395.528 4.477 20 0 GIADRO c1sc(CCC[NH2+][C@H]2CCCN(Cc3ccccc3)C2)nc1-c1ccncc1 ZINC000180847707 821492820 /nfs/dbraw/zinc/49/28/20/821492820.db2.gz JPZRNQZGUBDGHG-NRFANRHFSA-N 1 0 392.572 4.392 20 0 GIADRO Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000180847768 821492893 /nfs/dbraw/zinc/49/28/93/821492893.db2.gz ZCKITXYGIVRSMH-QGZVFWFLSA-N 1 0 394.544 4.453 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1cccc(Cl)c1Cl)c1ccc(-n2cccn2)cc1 ZINC000180849244 821493456 /nfs/dbraw/zinc/49/34/56/821493456.db2.gz CZOBUILKZQYLQQ-ZDUSSCGKSA-N 1 0 389.286 4.468 20 0 GIADRO C[C@@H]([NH2+]CCCc1nc(-c2ccncc2)cs1)c1ccc([S@](C)=O)cc1 ZINC000180849649 821494155 /nfs/dbraw/zinc/49/41/55/821494155.db2.gz AGCHTONCFWTNPP-WZQKQDCOSA-N 1 0 385.558 4.226 20 0 GIADRO COc1cc(C[NH+]2CCC([C@@H](O)c3ccccc3)CC2)ccc1OC(F)F ZINC000043998804 821499688 /nfs/dbraw/zinc/49/96/88/821499688.db2.gz LCLGYQLTFXTNNZ-FQEVSTJZSA-N 1 0 377.431 4.242 20 0 GIADRO COc1cc(-c2noc(CCCCC[NH2+][C@H](C)c3ccc(C)o3)n2)ccc1O ZINC000180864820 821501497 /nfs/dbraw/zinc/50/14/97/821501497.db2.gz FFLKJDKGANSZKX-OAHLLOKOSA-N 1 0 385.464 4.416 20 0 GIADRO CC(=O)Nc1cc(NC(=O)NCc2ccccc2C[NH+]2CCCCC2)ccc1F ZINC000044015859 821502431 /nfs/dbraw/zinc/50/24/31/821502431.db2.gz LCZZFNWWFSHIRO-UHFFFAOYSA-N 1 0 398.482 4.092 20 0 GIADRO CC(=O)c1cccc(NC(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)c1 ZINC000180882062 821511360 /nfs/dbraw/zinc/51/13/60/821511360.db2.gz YWUTWBKIICUOFD-UHFFFAOYSA-N 1 0 380.492 4.064 20 0 GIADRO COc1ccccc1[C@H](CNC(=S)N[C@@H](C)c1ccccc1)[NH+]1CCCC1 ZINC000044055673 821513222 /nfs/dbraw/zinc/51/32/22/821513222.db2.gz HNLHVWIROUFZIL-PXNSSMCTSA-N 1 0 383.561 4.057 20 0 GIADRO COc1ccccc1CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000180894983 821521169 /nfs/dbraw/zinc/52/11/69/821521169.db2.gz AHJJNCOAMPXIBU-ZWKOTPCHSA-N 1 0 389.499 4.113 20 0 GIADRO C[C@@H]([NH2+]CC(=O)NCc1ccc(Cl)s1)c1ccc(-c2ccncc2)cc1 ZINC000180897492 821522532 /nfs/dbraw/zinc/52/25/32/821522532.db2.gz QMCZNBRIVQJXSP-CQSZACIVSA-N 1 0 385.920 4.431 20 0 GIADRO COc1ccc(OC)c([C@H](C)[NH2+]CCc2nc(-c3cccc(Cl)c3)no2)c1 ZINC000180902741 821526659 /nfs/dbraw/zinc/52/66/59/821526659.db2.gz ZEMUPPJZKVHXAQ-ZDUSSCGKSA-N 1 0 387.867 4.301 20 0 GIADRO FC(F)(F)c1cccc(-c2ccc(C[NH2+]Cc3cccnc3-n3cncn3)o2)c1 ZINC000180904649 821527948 /nfs/dbraw/zinc/52/79/48/821527948.db2.gz INGNYZKJAALENP-UHFFFAOYSA-N 1 0 399.376 4.231 20 0 GIADRO COC(=O)COc1cccc(C[NH2+][C@H]2CC3(CCCC3)Oc3ccccc32)c1 ZINC000180909285 821530559 /nfs/dbraw/zinc/53/05/59/821530559.db2.gz UWTMFYBWQVRGKF-FQEVSTJZSA-N 1 0 381.472 4.165 20 0 GIADRO COc1cc(C[NH2+][C@@H]2CCc3[nH]c4ccc(C)cc4c3C2)cc(OC)c1OC ZINC000180914136 821534016 /nfs/dbraw/zinc/53/40/16/821534016.db2.gz FOILNXJNKBDLGA-MRXNPFEDSA-N 1 0 380.488 4.149 20 0 GIADRO CC(C)(C)c1ccc(-c2ccc(C[NH2+][C@H](CC(N)=O)C3CCOCC3)o2)cc1 ZINC000180915087 821534779 /nfs/dbraw/zinc/53/47/79/821534779.db2.gz XQWGUFSENRDJGY-HXUWFJFHSA-N 1 0 384.520 4.004 20 0 GIADRO CC[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(OC)cc2)C1=O)c1ccc(Cl)s1 ZINC000180915957 821535378 /nfs/dbraw/zinc/53/53/78/821535378.db2.gz DZRDVSOYWZUAIV-HZPDHXFCSA-N 1 0 378.925 4.252 20 0 GIADRO COc1ccc(CN2CC[C@@H]([NH2+][C@@H](C)c3oc4ccccc4c3C)C2=O)cc1 ZINC000180917218 821536802 /nfs/dbraw/zinc/53/68/02/821536802.db2.gz IIHYMCKNBOHCNJ-OXJNMPFZSA-N 1 0 378.472 4.202 20 0 GIADRO CCc1cccc(CC)c1NC(=S)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000044222662 821550123 /nfs/dbraw/zinc/55/01/23/821550123.db2.gz YQVLYNHPNWZDLV-UHFFFAOYSA-N 1 0 385.577 4.238 20 0 GIADRO CC(C)(C)n1cc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cn1 ZINC000180952585 821553515 /nfs/dbraw/zinc/55/35/15/821553515.db2.gz NLLOZMJQXDTRSB-CTNGQTDRSA-N 1 0 395.551 4.157 20 0 GIADRO COc1ccc(NC(=O)C[C@@H](C)[NH2+]CC(C)(C)Cc2ccccc2)c(OC)c1 ZINC000180955112 821554856 /nfs/dbraw/zinc/55/48/56/821554856.db2.gz QWRHUWUZUNCNGX-QGZVFWFLSA-N 1 0 384.520 4.279 20 0 GIADRO CN(Cc1ccc(Br)s1)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000044276868 821558304 /nfs/dbraw/zinc/55/83/04/821558304.db2.gz WAVLZRKNMSAAJK-UHFFFAOYSA-N 1 0 382.327 4.236 20 0 GIADRO COc1ccc(C(=O)N2CCC([NH2+][C@@H](C)c3ccc(C)cc3C)CC2)cc1OC ZINC000180969558 821563180 /nfs/dbraw/zinc/56/31/80/821563180.db2.gz SKNJYPDKOYJGOZ-SFHVURJKSA-N 1 0 396.531 4.276 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)c1cc(F)ccc1F)c1ccc(OCC(F)(F)F)cc1 ZINC000180970103 821563754 /nfs/dbraw/zinc/56/37/54/821563754.db2.gz ZVRLSEIFAJBFLX-PIGZYNQJSA-N 1 0 375.337 4.290 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Nc1cccc(OCC(F)(F)F)c1)c1ccsc1 ZINC000044309900 821566701 /nfs/dbraw/zinc/56/67/01/821566701.db2.gz PLCXGZRRDUCVQB-HNNXBMFYSA-N 1 0 387.427 4.114 20 0 GIADRO Cc1ccc(NCc2cccc(Cl)c2O)cc1NC(=O)CN1CCCCC1 ZINC000181002136 821586169 /nfs/dbraw/zinc/58/61/69/821586169.db2.gz JOUZARSEZXNHTD-UHFFFAOYSA-N 1 0 387.911 4.391 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CCc1nc2cc(F)ccc2n1C ZINC000181004664 821588028 /nfs/dbraw/zinc/58/80/28/821588028.db2.gz JCQASYVOFCCYOD-ZDUSSCGKSA-N 1 0 395.507 4.433 20 0 GIADRO C[C@H]([NH2+]CCc1nc(-c2ccccn2)cs1)c1ccc2c(c1)OCCCO2 ZINC000181007042 821589139 /nfs/dbraw/zinc/58/91/39/821589139.db2.gz SWVQMBRXUVTXCC-HNNXBMFYSA-N 1 0 381.501 4.260 20 0 GIADRO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000181006984 821589270 /nfs/dbraw/zinc/58/92/70/821589270.db2.gz VJUYHKNIAAIBKF-MRXNPFEDSA-N 1 0 394.544 4.317 20 0 GIADRO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000181006717 821589282 /nfs/dbraw/zinc/58/92/82/821589282.db2.gz BCQTZUXNDRGNEP-OAHLLOKOSA-N 1 0 381.501 4.087 20 0 GIADRO C[C@@H]([NH2+]CCc1nc(C2CCCCC2)cs1)c1ccc(S(C)(=O)=O)cc1 ZINC000181015852 821594697 /nfs/dbraw/zinc/59/46/97/821594697.db2.gz ZAWOIDSHVXAOOL-OAHLLOKOSA-N 1 0 392.590 4.488 20 0 GIADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=S)NCc2cccs2)CC1 ZINC000044511897 821597794 /nfs/dbraw/zinc/59/77/94/821597794.db2.gz ZBEOIHXYMHZKCP-UHFFFAOYSA-N 1 0 394.997 4.030 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(N2CCOC2=O)cc1)c1cccc(Br)c1 ZINC000181068120 821617128 /nfs/dbraw/zinc/61/71/28/821617128.db2.gz JIFFSPGRXFJXCO-ZDUSSCGKSA-N 1 0 375.266 4.257 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(F)c(Cl)c3F)c(C)c2)CC1 ZINC000181078911 821622107 /nfs/dbraw/zinc/62/21/07/821622107.db2.gz DEMSUXSEIKPLAR-UHFFFAOYSA-N 1 0 393.865 4.321 20 0 GIADRO Cc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000181084109 821624572 /nfs/dbraw/zinc/62/45/72/821624572.db2.gz AXVJUKXMRFEMOV-TZMCWYRMSA-N 1 0 395.334 4.042 20 0 GIADRO O[C@@H](C[NH2+]C1CCN(CCc2ccccc2)CC1)c1c(Cl)cccc1Cl ZINC000181107399 821636551 /nfs/dbraw/zinc/63/65/51/821636551.db2.gz GZIXATZYVGWYOH-FQEVSTJZSA-N 1 0 393.358 4.324 20 0 GIADRO O=C(Nc1ccc2[nH]c(C(F)F)nc2c1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000181112526 821639624 /nfs/dbraw/zinc/63/96/24/821639624.db2.gz MUPBPBCYQBJWJX-UHFFFAOYSA-N 1 0 391.466 4.419 20 0 GIADRO CCC[C@@H]([NH2+]C1CCC(S(C)(=O)=O)CC1)c1cccc(C(F)(F)F)c1 ZINC000181113306 821640618 /nfs/dbraw/zinc/64/06/18/821640618.db2.gz JLYKSIVVRNARNY-OFLPRAFFSA-N 1 0 377.472 4.492 20 0 GIADRO COCCCOc1cccc(C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)c1 ZINC000181118782 821644250 /nfs/dbraw/zinc/64/42/50/821644250.db2.gz FMPLEQFTCOURPE-UHFFFAOYSA-N 1 0 397.441 4.154 20 0 GIADRO COc1ccc2ccccc2c1-c1cc(CN(C)C[C@H]2CCC[N@H+](C)C2)on1 ZINC000181119340 821645031 /nfs/dbraw/zinc/64/50/31/821645031.db2.gz HAGJFTGOSQCXGV-KRWDZBQOSA-N 1 0 379.504 4.277 20 0 GIADRO Cc1cc(C(C)(C)C)cc2c1OCCC[C@@H]2[NH2+]C1CCC(S(C)(=O)=O)CC1 ZINC000181120426 821645638 /nfs/dbraw/zinc/64/56/38/821645638.db2.gz OPRRHBVIILOMRR-QLOJAFMTSA-N 1 0 393.593 4.452 20 0 GIADRO COc1ccc2oc(C[NH+]3CCC(n4ccc(C(F)(F)F)n4)CC3)cc2c1 ZINC000181125104 821648239 /nfs/dbraw/zinc/64/82/39/821648239.db2.gz QMLQANKNUXEBLM-UHFFFAOYSA-N 1 0 379.382 4.494 20 0 GIADRO Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]C1CCC(S(C)(=O)=O)CC1 ZINC000181125607 821649183 /nfs/dbraw/zinc/64/91/83/821649183.db2.gz OJUCIJMPCNNSIZ-ACBHZAAOSA-N 1 0 377.575 4.286 20 0 GIADRO CS(=O)(=O)C1CCC([NH2+][C@H]2CCCc3nc(-c4ccccc4)sc32)CC1 ZINC000181127239 821649882 /nfs/dbraw/zinc/64/98/82/821649882.db2.gz RVEPVSFUTJUFJZ-JCYILVPMSA-N 1 0 390.574 4.133 20 0 GIADRO C[C@H](O)CC(C)(C)C[NH2+][C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000181136858 821656545 /nfs/dbraw/zinc/65/65/45/821656545.db2.gz UOUHMEIVIGCGEU-RYUDHWBXSA-N 1 0 394.865 4.463 20 0 GIADRO N#Cc1ccc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)c(Br)c1 ZINC000181140758 821658687 /nfs/dbraw/zinc/65/86/87/821658687.db2.gz XNZPTHYBVWRTAK-NVXWUHKLSA-N 1 0 391.334 4.470 20 0 GIADRO N#Cc1ccc(C[N@H+]2CCC[C@H]2C[C@H](O)c2cccs2)c(Br)c1 ZINC000181140738 821658815 /nfs/dbraw/zinc/65/88/15/821658815.db2.gz XNZPTHYBVWRTAK-RDJZCZTQSA-N 1 0 391.334 4.470 20 0 GIADRO O=C(NC1CC[NH+](C2CC2)CC1)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000044775926 821659809 /nfs/dbraw/zinc/65/98/09/821659809.db2.gz UPUDYYXAWQRZDS-ROUUACIJSA-N 1 0 381.545 4.089 20 0 GIADRO C[C@H]1CCN(C(=O)CCc2ccc3[nH]ccc3c2)CC[N@@H+]1Cc1ccccc1 ZINC000181152557 821666367 /nfs/dbraw/zinc/66/63/67/821666367.db2.gz XSXAMCWDPRBQTO-IBGZPJMESA-N 1 0 375.516 4.224 20 0 GIADRO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CCCN1C(=O)COc2ccccc21 ZINC000181153525 821667182 /nfs/dbraw/zinc/66/71/82/821667182.db2.gz PTLDPNHHPVBYEK-AWEZNQCLSA-N 1 0 387.549 4.215 20 0 GIADRO CSC1(C[NH2+][C@H]2CCCOc3cc(Br)ccc32)CCOCC1 ZINC000181158946 821670765 /nfs/dbraw/zinc/67/07/65/821670765.db2.gz LGIREGRQFSADLE-HNNXBMFYSA-N 1 0 386.355 4.165 20 0 GIADRO COc1ccc(-c2ccc(C[NH2+][C@@H](C)c3ccc(-n4cnnn4)cc3)cc2)cc1 ZINC000181167842 821675577 /nfs/dbraw/zinc/67/55/77/821675577.db2.gz ITFJQRLEXBOZFW-KRWDZBQOSA-N 1 0 385.471 4.189 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)COc3ccccc3Cl)cc2)C1 ZINC000044879138 821676266 /nfs/dbraw/zinc/67/62/66/821676266.db2.gz QCIDSCRUJUVENG-QGZVFWFLSA-N 1 0 386.923 4.267 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)CCCOc3ccccc3)cc2)C1 ZINC000044878900 821676366 /nfs/dbraw/zinc/67/63/66/821676366.db2.gz IETKYNAYQSFIKI-HXUWFJFHSA-N 1 0 380.532 4.394 20 0 GIADRO CCN(CC)C(=O)c1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000044915012 821680508 /nfs/dbraw/zinc/68/05/08/821680508.db2.gz JRZIKOIHVVJTOE-FQEVSTJZSA-N 1 0 393.531 4.019 20 0 GIADRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1c[nH]c2cc(F)ccc12 ZINC000181197130 821691392 /nfs/dbraw/zinc/69/13/92/821691392.db2.gz XDCXCHJMULLBML-UHFFFAOYSA-N 1 0 383.492 4.417 20 0 GIADRO C[C@@H]([NH2+]CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1nccs1 ZINC000181199070 821692504 /nfs/dbraw/zinc/69/25/04/821692504.db2.gz IDRIKUFLVOJFNI-OAHLLOKOSA-N 1 0 398.498 4.025 20 0 GIADRO CO[C@@H](C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)c1ccc(F)cc1 ZINC000181202441 821694132 /nfs/dbraw/zinc/69/41/32/821694132.db2.gz VYVQHHJXYYKLFB-FQEVSTJZSA-N 1 0 390.886 4.061 20 0 GIADRO O=C(C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1)Nc1nc2ccc(F)cc2s1 ZINC000181210323 821699004 /nfs/dbraw/zinc/69/90/04/821699004.db2.gz ZXWUJBXMBOQRRI-KDOFPFPSSA-N 1 0 399.491 4.131 20 0 GIADRO O=C(C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)Nc1ccccc1C(F)(F)F ZINC000181220933 821704563 /nfs/dbraw/zinc/70/45/63/821704563.db2.gz VANOBVFNDKEPCU-HNAYVOBHSA-N 1 0 392.421 4.401 20 0 GIADRO Cc1ccccc1COc1ccc([C@@H](C)[NH2+]CC2(CS(C)(=O)=O)CC2)cc1 ZINC000181228765 821707467 /nfs/dbraw/zinc/70/74/67/821707467.db2.gz DAOKYJCFSOJHPY-GOSISDBHSA-N 1 0 387.545 4.049 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1sccc1-n1cccc1 ZINC000181238128 821713717 /nfs/dbraw/zinc/71/37/17/821713717.db2.gz KWMOYVKNIYINOO-UHFFFAOYSA-N 1 0 394.544 4.313 20 0 GIADRO C[S@@](=O)c1ccc(C[NH2+][C@H]2CCCOc3c(Br)cccc32)cc1 ZINC000181245178 821716374 /nfs/dbraw/zinc/71/63/74/821716374.db2.gz KYRWSEYFHBNTRA-GAJHUEQPSA-N 1 0 394.334 4.190 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1cc(Cl)c(Cl)[nH]1 ZINC000181246876 821717248 /nfs/dbraw/zinc/71/72/48/821717248.db2.gz GEYUWEWCFJMHEY-UHFFFAOYSA-N 1 0 381.307 4.095 20 0 GIADRO Nc1ccc(F)c(NC(=O)CC[NH2+]C2(c3ccc(F)cc3F)CCCC2)c1 ZINC000181249682 821718227 /nfs/dbraw/zinc/71/82/27/821718227.db2.gz VBOKGGZKDVLKKX-UHFFFAOYSA-N 1 0 377.410 4.074 20 0 GIADRO CC[NH+](CC)CCOc1ccc(C(=O)Nc2cn(-c3ccccc3)nc2C)cc1 ZINC000181256439 821720949 /nfs/dbraw/zinc/72/09/49/821720949.db2.gz QJNOFNIROQWVCV-UHFFFAOYSA-N 1 0 392.503 4.154 20 0 GIADRO CCOc1ccccc1[C@H](CC(C)C)[NH2+]CC(=O)Nc1cccnc1Cl ZINC000181266905 821725084 /nfs/dbraw/zinc/72/50/84/821725084.db2.gz JWLZXJBBBPTEIN-KRWDZBQOSA-N 1 0 375.900 4.449 20 0 GIADRO CCc1cccc(CC)c1NC(=O)C[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000181268888 821725385 /nfs/dbraw/zinc/72/53/85/821725385.db2.gz OHNAFTNGEKRFOV-INIZCTEOSA-N 1 0 395.503 4.057 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)Nc2cccnc2N2CCCC2)CC1 ZINC000181269521 821726306 /nfs/dbraw/zinc/72/63/06/821726306.db2.gz JVTTXPJLIMLWFE-UHFFFAOYSA-N 1 0 387.572 4.048 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1)C(=O)Nc1ccc(Cl)cn1 ZINC000181276767 821729980 /nfs/dbraw/zinc/72/99/80/821729980.db2.gz GFCMEBAFFSAGQF-GJZGRUSLSA-N 1 0 380.879 4.475 20 0 GIADRO COc1cccc([C@@H]2[C@H]([NH2+][C@@H](C)c3ccc([S@@](C)=O)cc3)CCN2C2CC2)c1 ZINC000181279798 821731613 /nfs/dbraw/zinc/73/16/13/821731613.db2.gz AQFYRDXDDQWSQC-HEVRMSQFSA-N 1 0 398.572 4.061 20 0 GIADRO CCOc1ccc([C@@H](C)NC(=O)CCC[NH2+][C@@H](C)c2sc(C)nc2C)cc1 ZINC000181278988 821731651 /nfs/dbraw/zinc/73/16/51/821731651.db2.gz SIBNVBKHBVBKSF-CABCVRRESA-N 1 0 389.565 4.467 20 0 GIADRO CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@H](C)c2sc(C)nc2C)cc1 ZINC000181279050 821731658 /nfs/dbraw/zinc/73/16/58/821731658.db2.gz SIBNVBKHBVBKSF-LSDHHAIUSA-N 1 0 389.565 4.467 20 0 GIADRO COc1cccc([C@@H]2[C@@H]([NH2+][C@@H](C)c3nc4ccccc4n3C)CCN2C2CC2)c1 ZINC000181280382 821732542 /nfs/dbraw/zinc/73/25/42/821732542.db2.gz ZQUQAJRQPNIZDY-JFJYTDJESA-N 1 0 390.531 4.211 20 0 GIADRO COCc1nc2n(n1)C[C@@H]([NH2+][C@H](CC(C)C)c1cccc(C(F)(F)F)c1)CC2 ZINC000181292801 821739371 /nfs/dbraw/zinc/73/93/71/821739371.db2.gz XJZWCICWWHXCIL-DLBZAZTESA-N 1 0 396.457 4.135 20 0 GIADRO CCn1c(C[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)nc2c1cccc2F ZINC000181296410 821741397 /nfs/dbraw/zinc/74/13/97/821741397.db2.gz DUVZRVMXJZPGJP-AWEZNQCLSA-N 1 0 382.439 4.003 20 0 GIADRO Cc1ccc2c(C[NH2+][C@@H](C)c3ccc(N4CCOC4=O)cc3)cc(=O)oc2c1C ZINC000181296071 821741484 /nfs/dbraw/zinc/74/14/84/821741484.db2.gz OGMJUKYXASCEIL-INIZCTEOSA-N 1 0 392.455 4.217 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1=O)c1ccc(-c2cccnc2)cc1 ZINC000181296752 821741507 /nfs/dbraw/zinc/74/15/07/821741507.db2.gz AZRQQNWVGPRPAD-HRAATJIYSA-N 1 0 375.447 4.344 20 0 GIADRO CC(C)n1nccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000181301314 821743464 /nfs/dbraw/zinc/74/34/64/821743464.db2.gz MMYVJTBZZXVQJU-DLBZAZTESA-N 1 0 377.492 4.204 20 0 GIADRO COCCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)cc1 ZINC000181305658 821746033 /nfs/dbraw/zinc/74/60/33/821746033.db2.gz HUIYLPQSRISPKH-KGLIPLIRSA-N 1 0 399.457 4.499 20 0 GIADRO COCCOc1ccc([C@H](C)[NH2+][C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)cc1 ZINC000181305624 821746044 /nfs/dbraw/zinc/74/60/44/821746044.db2.gz HUIYLPQSRISPKH-KBPBESRZSA-N 1 0 399.457 4.499 20 0 GIADRO C[C@@H](Cc1ccccc1Br)[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000181308359 821746978 /nfs/dbraw/zinc/74/69/78/821746978.db2.gz OKUGNOGRZKIUKW-KBPBESRZSA-N 1 0 396.350 4.134 20 0 GIADRO Cc1sc(CC[NH2+]C2CCN(Cc3ccncc3)CC2)nc1-c1ccccc1 ZINC000181307498 821747159 /nfs/dbraw/zinc/74/71/59/821747159.db2.gz BVOBXNAEFCIIOM-UHFFFAOYSA-N 1 0 392.572 4.310 20 0 GIADRO C[C@H](Cc1ccccc1Br)[NH2+]C1CCN(c2nccs2)CC1 ZINC000181309072 821747657 /nfs/dbraw/zinc/74/76/57/821747657.db2.gz BLIUZJYIBSGEHD-CYBMUJFWSA-N 1 0 380.355 4.095 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000181316378 821754288 /nfs/dbraw/zinc/75/42/88/821754288.db2.gz NVAOGMUUPDTQTD-QWHCGFSZSA-N 1 0 392.429 4.055 20 0 GIADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@H](c1nccs1)c1ccccc1 ZINC000181316726 821754698 /nfs/dbraw/zinc/75/46/98/821754698.db2.gz VSYAJXVNQACRMR-XLIONFOSSA-N 1 0 394.544 4.052 20 0 GIADRO CC[C@H](C)c1ccc(NC(=O)C[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)cc1 ZINC000181316572 821754818 /nfs/dbraw/zinc/75/48/18/821754818.db2.gz CLPHJNISLCFXGI-DLBZAZTESA-N 1 0 395.503 4.446 20 0 GIADRO COc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(-c3cccnc3)cc2)cc1OC ZINC000181317030 821755447 /nfs/dbraw/zinc/75/54/47/821755447.db2.gz JAROECIBMSYZIJ-MRXNPFEDSA-N 1 0 391.471 4.055 20 0 GIADRO O=C1Nc2ccccc2C12CCC([NH2+][C@H]1CCCOc3c(F)cccc31)CC2 ZINC000181321831 821758015 /nfs/dbraw/zinc/75/80/15/821758015.db2.gz ZZPSJPDFZSQYSY-PELQFQBLSA-N 1 0 380.463 4.462 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1)C(=O)N1CCc2sccc2C1 ZINC000181322090 821758311 /nfs/dbraw/zinc/75/83/11/821758311.db2.gz FATIMOCOTWIUFN-DLBZAZTESA-N 1 0 391.540 4.434 20 0 GIADRO CC(C)OC(=O)c1ccc(C[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)cc1 ZINC000181324996 821759597 /nfs/dbraw/zinc/75/95/97/821759597.db2.gz TTYAPIGIBPJIIA-INIZCTEOSA-N 1 0 382.460 4.059 20 0 GIADRO COc1ccc([C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C(F)(F)F)cc1 ZINC000181330235 821763192 /nfs/dbraw/zinc/76/31/92/821763192.db2.gz UZXZFIFYDRNAEH-QAPCUYQASA-N 1 0 384.442 4.069 20 0 GIADRO CCc1ccccc1NC(=O)C[C@H](C)[NH2+]CCc1c[nH]c2cccc(OC)c12 ZINC000181335466 821767174 /nfs/dbraw/zinc/76/71/74/821767174.db2.gz CKJMJTTXVALGTF-INIZCTEOSA-N 1 0 379.504 4.288 20 0 GIADRO CC(C)c1ccccc1OC[C@H](O)C[NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000181338594 821769543 /nfs/dbraw/zinc/76/95/43/821769543.db2.gz JKQMHAVFNCMFQT-WIYYLYMNSA-N 1 0 396.531 4.027 20 0 GIADRO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000181340313 821771683 /nfs/dbraw/zinc/77/16/83/821771683.db2.gz SDERQMODCIBYFW-HOTGVXAUSA-N 1 0 399.922 4.453 20 0 GIADRO CC(C)c1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000181352047 821781260 /nfs/dbraw/zinc/78/12/60/821781260.db2.gz BJCGEFMUSFFQLE-KRWDZBQOSA-N 1 0 379.504 4.226 20 0 GIADRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)cc1F ZINC000181360764 821787289 /nfs/dbraw/zinc/78/72/89/821787289.db2.gz GBBDLMAVBGFROM-BEFAXECRSA-N 1 0 395.434 4.349 20 0 GIADRO O=C(Nc1ccc(Br)c2ccccc12)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000181364245 821789135 /nfs/dbraw/zinc/78/91/35/821789135.db2.gz VETYEXYBYNSDRY-AWEZNQCLSA-N 1 0 386.293 4.080 20 0 GIADRO C[C@H]([NH2+]CCCc1nc(-c2ccccc2)no1)c1ccc(N2CCCC2=O)cc1 ZINC000181368150 821791473 /nfs/dbraw/zinc/79/14/73/821791473.db2.gz HPTGPDZNTWYQET-KRWDZBQOSA-N 1 0 390.487 4.147 20 0 GIADRO CCOc1cc2c(cc1C[NH2+][C@@H](C)c1sc(CCOC)nc1C)O[C@@H](C)C2 ZINC000181372104 821793187 /nfs/dbraw/zinc/79/31/87/821793187.db2.gz MFLUNOPWEWEDGH-KBPBESRZSA-N 1 0 390.549 4.213 20 0 GIADRO CCc1ccc2c(C[NH2+][C@@H](C)c3ccc(N4CCCC4=O)cc3)cc(=O)oc2c1 ZINC000181378241 821795246 /nfs/dbraw/zinc/79/52/46/821795246.db2.gz FEZCSXVYPDAJSO-INIZCTEOSA-N 1 0 390.483 4.333 20 0 GIADRO CSc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000181382111 821796727 /nfs/dbraw/zinc/79/67/27/821796727.db2.gz FMOJKVCAYDJECP-HOTGVXAUSA-N 1 0 397.544 4.213 20 0 GIADRO Cc1c(Cl)cccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000181382553 821797632 /nfs/dbraw/zinc/79/76/32/821797632.db2.gz NXTNZLNGSCOCEG-JKSUJKDBSA-N 1 0 399.922 4.453 20 0 GIADRO CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@H](C)c2sc(CCOC)nc2C)c1 ZINC000181383192 821798327 /nfs/dbraw/zinc/79/83/27/821798327.db2.gz LAMPPBNESNPTSG-HUUCEWRRSA-N 1 0 389.565 4.020 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+]C2CCN(Cc3ccc(F)cc3)CC2)s1 ZINC000181384680 821798972 /nfs/dbraw/zinc/79/89/72/821798972.db2.gz UCFWSNRORXMVPK-OAHLLOKOSA-N 1 0 391.556 4.095 20 0 GIADRO Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000181388381 821800307 /nfs/dbraw/zinc/80/03/07/821800307.db2.gz QRXVZQPGFDMTRN-UHFFFAOYSA-N 1 0 391.487 4.001 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)s1 ZINC000181393351 821803818 /nfs/dbraw/zinc/80/38/18/821803818.db2.gz AZWXRTNDACGCMI-HUUCEWRRSA-N 1 0 387.549 4.179 20 0 GIADRO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181394516 821804700 /nfs/dbraw/zinc/80/47/00/821804700.db2.gz YOOJGIGLFKMPRM-HOTGVXAUSA-N 1 0 399.922 4.453 20 0 GIADRO C[C@@H]([NH2+][C@@H](CO)c1cccc(Br)c1)c1ccc(-n2ccnc2)cc1 ZINC000181394847 821805332 /nfs/dbraw/zinc/80/53/32/821805332.db2.gz IMDOYBBAYFFRSZ-KUHUBIRLSA-N 1 0 386.293 4.019 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CN(c3ccccc3)C(=O)O2)cc1OCC ZINC000181397047 821805838 /nfs/dbraw/zinc/80/58/38/821805838.db2.gz MKYRGUBZSASHBN-QFBILLFUSA-N 1 0 384.476 4.160 20 0 GIADRO C[C@@H]([NH2+][C@@H](CO)c1cccc(Br)c1)c1cccc(OC(F)F)c1 ZINC000181395877 821805860 /nfs/dbraw/zinc/80/58/60/821805860.db2.gz APBUUGOKTFVJEN-BZNIZROVSA-N 1 0 386.236 4.435 20 0 GIADRO CCc1nc2c(s1)[C@H]([NH2+][C@@H](CO)c1cccc(Br)c1)CCC2 ZINC000181401118 821807216 /nfs/dbraw/zinc/80/72/16/821807216.db2.gz PGYGDZLOHVSEOX-HIFRSBDPSA-N 1 0 381.339 4.169 20 0 GIADRO CC(C)c1ccccc1NC(=O)C[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181406711 821809295 /nfs/dbraw/zinc/80/92/95/821809295.db2.gz HUZRJGQBADQVKF-KRWDZBQOSA-N 1 0 379.504 4.226 20 0 GIADRO CCc1ccc(-c2noc(CN[C@H](C)c3cccc(N4CCCC4=O)c3)n2)cc1 ZINC000181406345 821809311 /nfs/dbraw/zinc/80/93/11/821809311.db2.gz XNYCGZKOLQFGGR-MRXNPFEDSA-N 1 0 390.487 4.277 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CC(=O)NCCc1ccccc1 ZINC000181409354 821810907 /nfs/dbraw/zinc/81/09/07/821810907.db2.gz JKGJNAIKOBCYQJ-MRXNPFEDSA-N 1 0 379.529 4.128 20 0 GIADRO Cc1cc(Cl)cc2c1OCCC[C@@H]2NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000181411695 821811904 /nfs/dbraw/zinc/81/19/04/821811904.db2.gz XBLBCFAIWNGCCF-ACRUOGEOSA-N 1 0 392.971 4.220 20 0 GIADRO COC[C@@H]([NH2+]Cc1ccc(SC(=O)N(C)C)cc1)c1ccc(F)c(F)c1 ZINC000181417123 821814988 /nfs/dbraw/zinc/81/49/88/821814988.db2.gz JZYMTSCTPXVPPM-GOSISDBHSA-N 1 0 380.460 4.216 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+][C@@H](C)c2cc(OC)c(OC)cc2F)s1 ZINC000181419311 821816140 /nfs/dbraw/zinc/81/61/40/821816140.db2.gz NZICBKZBYQNPRM-RYUDHWBXSA-N 1 0 382.501 4.209 20 0 GIADRO O[C@H](C[C@H]1CCCCC[N@@H+]1Cc1nnc(C2CC2)n1C1CC1)c1ccccc1 ZINC000181421544 821817958 /nfs/dbraw/zinc/81/79/58/821817958.db2.gz LPKPEOAVXYPOOK-NHCUHLMSSA-N 1 0 380.536 4.359 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+][C@@H]2CCN(c3cccc(Cl)c3)C2)s1 ZINC000181432055 821824108 /nfs/dbraw/zinc/82/41/08/821824108.db2.gz MMNLNVDEHHJCPS-XJKSGUPXSA-N 1 0 379.957 4.223 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+]Cc2cc(OC)ccc2OC(F)F)s1 ZINC000181433651 821825299 /nfs/dbraw/zinc/82/52/99/821825299.db2.gz ZKOHWDLPSJSRAZ-LLVKDONJSA-N 1 0 386.464 4.101 20 0 GIADRO COCCC1(C[NH2+][C@H](C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000181438415 821826901 /nfs/dbraw/zinc/82/69/01/821826901.db2.gz VPRLNFRRBJRFDH-GFCCVEGCSA-N 1 0 392.849 4.482 20 0 GIADRO CCOc1cccc2cc([C@H](C)[NH2+]C[C@@H](O)c3cc(OC)ccc3OC)oc21 ZINC000181442601 821828630 /nfs/dbraw/zinc/82/86/30/821828630.db2.gz DTUPLEVYETYLGZ-KBXCAEBGSA-N 1 0 385.460 4.233 20 0 GIADRO CCc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181445818 821829656 /nfs/dbraw/zinc/82/96/56/821829656.db2.gz YUAUXZULNYXPST-IRXDYDNUSA-N 1 0 379.504 4.054 20 0 GIADRO Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCO[C@]3(CCSC3)C2)cc1Cl ZINC000181447531 821830401 /nfs/dbraw/zinc/83/04/01/821830401.db2.gz NMYHIMXNXPFLCI-SIXWZSSISA-N 1 0 382.957 4.010 20 0 GIADRO Cc1nc(Cc2ccccc2)sc1C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181453355 821832610 /nfs/dbraw/zinc/83/26/10/821832610.db2.gz MCAZRFDIBDTSDO-LPHOPBHVSA-N 1 0 397.588 4.425 20 0 GIADRO C[C@@H](NC(=O)Cc1csc(-c2cccs2)n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181454268 821833123 /nfs/dbraw/zinc/83/31/23/821833123.db2.gz RGQACYWPAABJLI-CABCVRRESA-N 1 0 389.590 4.183 20 0 GIADRO Cc1cc(Br)ccc1C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181493368 821851784 /nfs/dbraw/zinc/85/17/84/821851784.db2.gz BGJIWRLUVCPQOT-HUUCEWRRSA-N 1 0 379.342 4.140 20 0 GIADRO Cc1ccccc1[C@@H](OC[C@@H](O)C[N@H+](C)CCc1ccncc1)c1ccccc1 ZINC000181494080 821852152 /nfs/dbraw/zinc/85/21/52/821852152.db2.gz MHIKOUMDCTXZRH-ZCYQVOJMSA-N 1 0 390.527 4.031 20 0 GIADRO CS[C@@H]1CCC[C@@H](NC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000181502061 821856225 /nfs/dbraw/zinc/85/62/25/821856225.db2.gz RZMHJRNRHSXOAG-UYAOXDASSA-N 1 0 390.597 4.004 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc(C(F)(F)F)cn3)CC2)C12CCC2 ZINC000181502965 821856353 /nfs/dbraw/zinc/85/63/53/821856353.db2.gz QFPPSAFTHYEYAQ-DLBZAZTESA-N 1 0 383.458 4.007 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]CC2(Cc3ccccc3)CC2)c1 ZINC000181509027 821859540 /nfs/dbraw/zinc/85/95/40/821859540.db2.gz DVGGQRQUWNEOFQ-KRWDZBQOSA-N 1 0 382.504 4.033 20 0 GIADRO C[C@H](NC(=O)CCc1ncc(-c2ccccc2)o1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181518743 821864245 /nfs/dbraw/zinc/86/42/45/821864245.db2.gz BERAWTSMSBJNPP-HKUYNNGSSA-N 1 0 381.520 4.043 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(OCc2ccccc2)cc1)c1cccc(O)c1 ZINC000181519439 821864453 /nfs/dbraw/zinc/86/44/53/821864453.db2.gz OEIXTJVKDXVGIZ-QGZVFWFLSA-N 1 0 376.456 4.261 20 0 GIADRO C[C@@H](NC(=O)COc1ccc(Cl)cc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181524648 821865887 /nfs/dbraw/zinc/86/58/87/821865887.db2.gz YZLSQBUUFQLSMB-KGLIPLIRSA-N 1 0 385.335 4.141 20 0 GIADRO Cc1c(Br)cccc1C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181530930 821868530 /nfs/dbraw/zinc/86/85/30/821868530.db2.gz MJHZVKVBAUVFTJ-GJZGRUSLSA-N 1 0 379.342 4.140 20 0 GIADRO C[C@H]([NH2+]CC(=O)N[C@H](c1nccs1)c1ccccc1)[C@@H](C)c1ccccc1 ZINC000181534023 821870756 /nfs/dbraw/zinc/87/07/56/821870756.db2.gz DAHVDUYRYHUVLO-WWMYMODYSA-N 1 0 379.529 4.131 20 0 GIADRO C[C@H](NC(=O)CSCc1cccc(Cl)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181533286 821870825 /nfs/dbraw/zinc/87/08/25/821870825.db2.gz BBOIOMMTBUHDES-RDJZCZTQSA-N 1 0 380.985 4.342 20 0 GIADRO C[C@H](CC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)C(=O)c1ccc(Cl)cc1 ZINC000181534855 821871219 /nfs/dbraw/zinc/87/12/19/821871219.db2.gz OUXRXPLILDHTGJ-VQIMIIECSA-N 1 0 376.928 4.026 20 0 GIADRO Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000181534741 821871354 /nfs/dbraw/zinc/87/13/54/821871354.db2.gz MKRZFPOSUSLTGE-AWEZNQCLSA-N 1 0 393.503 4.247 20 0 GIADRO C[C@@H](NC(=O)CCc1ncc(-c2ccccc2F)o1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181543530 821874614 /nfs/dbraw/zinc/87/46/14/821874614.db2.gz AEFDIKKRJQCIQU-SJORKVTESA-N 1 0 399.510 4.183 20 0 GIADRO CC(C)(CO)[C@@H](C[NH2+]C1CCC2(CC1)C(=O)Nc1ccccc12)c1ccccc1 ZINC000181554635 821879049 /nfs/dbraw/zinc/87/90/49/821879049.db2.gz HONYCVJPQYWPDC-XWGIXXMPSA-N 1 0 392.543 4.211 20 0 GIADRO Cc1c([C@@H](C)[NH2+]C[C@@H](c2ccccc2)C(C)(C)CO)nnn1-c1ccc(F)cc1 ZINC000181554691 821879059 /nfs/dbraw/zinc/87/90/59/821879059.db2.gz RPMRUOVOZPXHEE-IERDGZPVSA-N 1 0 396.510 4.168 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]C[C@H](c2ccccc2)C(C)(C)CO)cc1NC(C)=O ZINC000181555382 821879684 /nfs/dbraw/zinc/87/96/84/821879684.db2.gz UZLCOMJVZABICD-OXQOHEQNSA-N 1 0 384.520 4.107 20 0 GIADRO COc1ccc([C@H](C)[NH2+]C[C@H](c2ccccc2)C(C)(C)CO)cc1NC(C)=O ZINC000181555363 821879698 /nfs/dbraw/zinc/87/96/98/821879698.db2.gz UZLCOMJVZABICD-OXJNMPFZSA-N 1 0 384.520 4.107 20 0 GIADRO COc1cc(OC)c([C@H](C)[NH2+]CCc2nnc(-c3ccccc3)o2)cc1Cl ZINC000181558145 821880738 /nfs/dbraw/zinc/88/07/38/821880738.db2.gz JCXQJELWLWFHJN-ZDUSSCGKSA-N 1 0 387.867 4.301 20 0 GIADRO COc1ccc2cc(CN(C)C(=O)[C@H](C)[NH2+][C@H](C)c3cccc(O)c3)ccc2c1 ZINC000181579452 821887088 /nfs/dbraw/zinc/88/70/88/821887088.db2.gz PUEPBMQSGMCBMK-SJORKVTESA-N 1 0 392.499 4.252 20 0 GIADRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)Nc1ccc(N2CCc3sccc3C2)cc1 ZINC000181579954 821887746 /nfs/dbraw/zinc/88/77/46/821887746.db2.gz DPGCVCXRQHTQAH-HXUWFJFHSA-N 1 0 398.576 4.115 20 0 GIADRO C[C@H]([NH2+]CCc1cc(Br)ccc1F)c1ccc(OCC#N)cc1 ZINC000181583393 821889242 /nfs/dbraw/zinc/88/92/42/821889242.db2.gz KMQOBDHFJQBRPR-ZDUSSCGKSA-N 1 0 377.257 4.384 20 0 GIADRO C[C@@H]([NH2+]C1CCN([C@H](C)c2ccncc2)CC1)c1cnn(Cc2ccccc2)c1 ZINC000181586137 821891323 /nfs/dbraw/zinc/89/13/23/821891323.db2.gz BOZCJSBBWQSLJK-WOJBJXKFSA-N 1 0 389.547 4.203 20 0 GIADRO O[C@@H](C[NH2+][C@H](Cc1cccc(F)c1)c1cccc(F)c1)COCc1ccco1 ZINC000181594165 821895101 /nfs/dbraw/zinc/89/51/01/821895101.db2.gz ITOOWGBHOGYALE-RBBKRZOGSA-N 1 0 387.426 4.009 20 0 GIADRO COCc1cc([C@H](C)[NH2+]Cc2ccc(COC3CCOCC3)cc2)ccc1OC ZINC000181612305 821903229 /nfs/dbraw/zinc/90/32/29/821903229.db2.gz RVRXNPTZYJMUNL-SFHVURJKSA-N 1 0 399.531 4.388 20 0 GIADRO C[C@H](NC(=O)c1cnn(-c2ccccc2)c1C1CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181633435 821914276 /nfs/dbraw/zinc/91/42/76/821914276.db2.gz CAFMFYLJBYEIOH-PKOBYXMFSA-N 1 0 392.547 4.133 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1cc2cc(Cl)ccc2o1 ZINC000181640418 821918272 /nfs/dbraw/zinc/91/82/72/821918272.db2.gz PSHPWACCJCMMRM-CYBMUJFWSA-N 1 0 377.893 4.482 20 0 GIADRO C[C@H]([NH2+]CC1([C@H](O)c2ccccc2)CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000181647246 821920872 /nfs/dbraw/zinc/92/08/72/821920872.db2.gz QRUVWOUDVPUWEM-HRAATJIYSA-N 1 0 379.504 4.135 20 0 GIADRO O=C(CC[N@@H+]1CCC[C@H]1c1cccc(F)c1)Nc1cc([N+](=O)[O-])ccc1F ZINC000181649689 821922341 /nfs/dbraw/zinc/92/23/41/821922341.db2.gz PNMSHXLOKQWWJC-SFHVURJKSA-N 1 0 375.375 4.039 20 0 GIADRO Brc1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@@H]2CCOC2)CCC3)cc1 ZINC000181656346 821926343 /nfs/dbraw/zinc/92/63/43/821926343.db2.gz GMFRQUWPEIHHNM-KGLIPLIRSA-N 1 0 379.323 4.329 20 0 GIADRO COc1ccc(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1-c1ccccn1 ZINC000181657249 821926652 /nfs/dbraw/zinc/92/66/52/821926652.db2.gz AFBNVHGMWJZONT-IEBWSBKVSA-N 1 0 393.531 4.140 20 0 GIADRO Cc1ccccc1[C@@H](OC[C@H](O)C[NH2+][C@@H](C)c1cccnc1)c1ccccc1 ZINC000181663073 821929771 /nfs/dbraw/zinc/92/97/71/821929771.db2.gz UKYGFHBGSOPSCA-KWOQKUFVSA-N 1 0 376.500 4.208 20 0 GIADRO CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H](C)c1ccc(SC)c(OC)c1 ZINC000181662256 821929942 /nfs/dbraw/zinc/92/99/42/821929942.db2.gz JJIVEJTXNJRUME-NVXWUHKLSA-N 1 0 393.574 4.320 20 0 GIADRO CC(C)(C)C(=O)N1CCC(C[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)CC1 ZINC000181665301 821932072 /nfs/dbraw/zinc/93/20/72/821932072.db2.gz SNLKQFMTHLTCDD-NRFANRHFSA-N 1 0 390.543 4.091 20 0 GIADRO C[C@H]([NH2+]CC(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1)c1cccnc1 ZINC000181667121 821933371 /nfs/dbraw/zinc/93/33/71/821933371.db2.gz OYHOPEWLLACNFF-AOMKIAJQSA-N 1 0 379.891 4.291 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1)c1cccnc1 ZINC000181667182 821933551 /nfs/dbraw/zinc/93/35/51/821933551.db2.gz OYHOPEWLLACNFF-OPAMFIHVSA-N 1 0 379.891 4.291 20 0 GIADRO C[C@@H](NC(=O)c1cccnc1SC(F)(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181670092 821935625 /nfs/dbraw/zinc/93/56/25/821935625.db2.gz AKHUSRSQJZROKV-CHWSQXEVSA-N 1 0 387.471 4.076 20 0 GIADRO COc1ccc(-c2cncc(C(=O)N[C@@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)c2)cc1 ZINC000181670692 821936358 /nfs/dbraw/zinc/93/63/58/821936358.db2.gz BGVIHFJBVVCCHE-HKUYNNGSSA-N 1 0 393.531 4.140 20 0 GIADRO C[C@H](NC(=O)COc1ccc(Cl)c(Cl)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181680490 821940534 /nfs/dbraw/zinc/94/05/34/821940534.db2.gz DNAGSRRYSQJOHG-KBPBESRZSA-N 1 0 385.335 4.141 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CCOCc2ccc(Cl)cc2)cc1NC(C)=O ZINC000181711658 821955892 /nfs/dbraw/zinc/95/58/92/821955892.db2.gz JQHQXJMXPSHNGJ-CQSZACIVSA-N 1 0 376.884 4.174 20 0 GIADRO COc1ccccc1[C@H](CC(C)C)[NH2+]CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000181713003 821956289 /nfs/dbraw/zinc/95/62/89/821956289.db2.gz USDNYOFIVRCLMW-WBVHZDCISA-N 1 0 386.458 4.173 20 0 GIADRO Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@@H](CC(C)C)c1ccccc1OCC(C)C ZINC000181721573 821960862 /nfs/dbraw/zinc/96/08/62/821960862.db2.gz KJVSGVGZRWEAIZ-IBGZPJMESA-N 1 0 386.540 4.377 20 0 GIADRO CCCCC[C@@H]([NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)c1ccccc1 ZINC000181745511 821973212 /nfs/dbraw/zinc/97/32/12/821973212.db2.gz GMEIUZRZZMQIKD-NHCUHLMSSA-N 1 0 375.534 4.035 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(-n3ccnn3)cc2)cc1OCC ZINC000181747901 821974531 /nfs/dbraw/zinc/97/45/31/821974531.db2.gz OAMRVYFCHWNEAA-IAGOWNOFSA-N 1 0 380.492 4.477 20 0 GIADRO CCOc1ccc(Cl)cc1CC[NH2+][C@H](C)CC(=O)Nc1cccnc1Cl ZINC000181756171 821978491 /nfs/dbraw/zinc/97/84/91/821978491.db2.gz RXNVVIVXAKYEKE-CYBMUJFWSA-N 1 0 396.318 4.337 20 0 GIADRO CCOc1ccccc1Oc1ccc(C[NH2+]Cc2cnn(CC(C)C)c2)cn1 ZINC000181767543 821984343 /nfs/dbraw/zinc/98/43/43/821984343.db2.gz AXPMCOMERYRDNN-UHFFFAOYSA-N 1 0 380.492 4.415 20 0 GIADRO CCS(=O)(=O)c1ccc2oc(C[NH2+][C@H](C)C(C)(C)c3ccccc3)nc2c1 ZINC000181785607 821991225 /nfs/dbraw/zinc/99/12/25/821991225.db2.gz XIEJENUSDRLGNN-OAHLLOKOSA-N 1 0 386.517 4.077 20 0 GIADRO CCN(CC)C(=O)c1cccc(NC(=O)C[NH2+][C@@H](C)C(C)(C)c2ccccc2)c1 ZINC000181791821 821994068 /nfs/dbraw/zinc/99/40/68/821994068.db2.gz HLOXYJDDIAYNQR-SFHVURJKSA-N 1 0 395.547 4.063 20 0 GIADRO COc1ccc(-c2noc(C[NH2+][C@@H](C)C(C)(C)c3ccccc3)n2)c(OC)c1 ZINC000181796260 821995896 /nfs/dbraw/zinc/99/58/96/821995896.db2.gz VHNHURAQYPGYJQ-HNNXBMFYSA-N 1 0 381.476 4.210 20 0 GIADRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000181810376 822002109 /nfs/dbraw/zinc/00/21/09/822002109.db2.gz NBGHBZJDZRLJHZ-IRXDYDNUSA-N 1 0 396.491 4.181 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(N2CCCC2)cc1)c1cccc(N2CCCC2)c1 ZINC000181856850 822017944 /nfs/dbraw/zinc/01/79/44/822017944.db2.gz SGNVKEPVWFVKKZ-LJQANCHMSA-N 1 0 392.547 4.176 20 0 GIADRO CC(C)OCCCCNC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000181866723 822020808 /nfs/dbraw/zinc/02/08/08/822020808.db2.gz IINGZQLISUYBAC-IBGZPJMESA-N 1 0 375.557 4.065 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)c1cccc(N2CCCC2)c1)C(=O)Nc1ccc(OC)cc1 ZINC000181869991 822021707 /nfs/dbraw/zinc/02/17/07/822021707.db2.gz PFAHJZMNWZJHQJ-JTSKRJEESA-N 1 0 381.520 4.363 20 0 GIADRO CC(C)OCCCCNC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000181875910 822023625 /nfs/dbraw/zinc/02/36/25/822023625.db2.gz SRFAUUNJUPNLND-UHFFFAOYSA-N 1 0 375.557 4.067 20 0 GIADRO Cc1cc(C)c(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c(Cl)n1 ZINC000181879884 822024928 /nfs/dbraw/zinc/02/49/28/822024928.db2.gz DBHFAEODDJVJAO-OAHLLOKOSA-N 1 0 377.941 4.055 20 0 GIADRO C[C@H]([NH2+]CC(=O)N(C)Cc1ccc(Cl)s1)c1cccc(N2CCCC2)c1 ZINC000181888476 822027300 /nfs/dbraw/zinc/02/73/00/822027300.db2.gz UDGPFXHMHVOMHH-HNNXBMFYSA-N 1 0 391.968 4.311 20 0 GIADRO C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000181890280 822027806 /nfs/dbraw/zinc/02/78/06/822027806.db2.gz JQCQKQAJRQQFII-WMZOPIPTSA-N 1 0 397.485 4.296 20 0 GIADRO C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000181890335 822027837 /nfs/dbraw/zinc/02/78/37/822027837.db2.gz JQCQKQAJRQQFII-SJLPKXTDSA-N 1 0 397.485 4.296 20 0 GIADRO CC(C)[C@@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1cccc(C(F)(F)F)c1 ZINC000181898978 822030712 /nfs/dbraw/zinc/03/07/12/822030712.db2.gz ZPJBMRRHBZBOBV-ZIAGYGMSSA-N 1 0 382.348 4.155 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1cccc(OC(F)(F)F)c1 ZINC000181901835 822031529 /nfs/dbraw/zinc/03/15/29/822031529.db2.gz ZFQKVEVZMXVUHS-NSHDSACASA-N 1 0 397.784 4.400 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1cccc(OC(F)(F)F)c1 ZINC000181901852 822031581 /nfs/dbraw/zinc/03/15/81/822031581.db2.gz ZFQKVEVZMXVUHS-LLVKDONJSA-N 1 0 397.784 4.400 20 0 GIADRO Clc1ccccc1-c1csc(N2CC[NH+](CC3CCOCC3)CC2)n1 ZINC000181912795 822035183 /nfs/dbraw/zinc/03/51/83/822035183.db2.gz OGOVNQPXLDAHJV-UHFFFAOYSA-N 1 0 377.941 4.012 20 0 GIADRO CC[C@H](C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1)c1ccc(OC)cc1 ZINC000181929866 822038297 /nfs/dbraw/zinc/03/82/97/822038297.db2.gz CVTVEMIJZKQFTB-QHCPKHFHSA-N 1 0 395.547 4.358 20 0 GIADRO CN(C)C(=O)c1ccc(NC(=O)C[NH2+][C@H](CC2CCCC2)c2ccccc2)cc1 ZINC000181940100 822041181 /nfs/dbraw/zinc/04/11/81/822041181.db2.gz NPXIPXXXDYEOHA-JOCHJYFZSA-N 1 0 393.531 4.238 20 0 GIADRO CC(C)[C@@H]([NH2+]Cc1ccc(N2CCO[C@@H](C)C2)nc1)c1ccc(F)c(F)c1 ZINC000181951474 822043533 /nfs/dbraw/zinc/04/35/33/822043533.db2.gz NKUBBVVYQBUCHF-YCRPNKLZSA-N 1 0 375.463 4.072 20 0 GIADRO CCOc1cccc2cc([C@H](C)[NH2+]Cc3cccc(OCC(=O)OC)c3)oc21 ZINC000181967756 822048326 /nfs/dbraw/zinc/04/83/26/822048326.db2.gz VVJOUCXSJIODDM-HNNXBMFYSA-N 1 0 383.444 4.234 20 0 GIADRO O=C(Nc1cccc(C[NH2+][C@H]2CCCOc3cc(F)ccc32)c1)c1ccncc1 ZINC000181976921 822050884 /nfs/dbraw/zinc/05/08/84/822050884.db2.gz LTUCXLCFQCQNGH-NRFANRHFSA-N 1 0 391.446 4.477 20 0 GIADRO CCN(Cc1cccs1)C(=O)N[C@@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000181983868 822053390 /nfs/dbraw/zinc/05/33/90/822053390.db2.gz MXCKWGPYHKDFRY-NHCUHLMSSA-N 1 0 399.560 4.266 20 0 GIADRO C[C@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1cc2c(ccc3ccccc23)o1 ZINC000182009839 822060934 /nfs/dbraw/zinc/06/09/34/822060934.db2.gz KWFOCGMWTRDRCX-HNNXBMFYSA-N 1 0 398.528 4.193 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(F)c(Cl)c1F ZINC000182010085 822061040 /nfs/dbraw/zinc/06/10/40/822061040.db2.gz ZRCDWFCZCGPFPW-OAHLLOKOSA-N 1 0 378.850 4.212 20 0 GIADRO COCc1nc2n(n1)C[C@@H]([NH2+][C@H](CC(C)(C)C)c1ccc(Cl)cc1)CC2 ZINC000182012952 822062136 /nfs/dbraw/zinc/06/21/36/822062136.db2.gz HFWLUISHAAZTTN-DLBZAZTESA-N 1 0 376.932 4.160 20 0 GIADRO Cc1nn(C)c(C)c1CCC[NH2+]Cc1c(C)nn(-c2ccc(Cl)cc2)c1C ZINC000182045270 822072289 /nfs/dbraw/zinc/07/22/89/822072289.db2.gz ODRQJUBZAWMUKU-UHFFFAOYSA-N 1 0 385.943 4.215 20 0 GIADRO CC(C)Cc1ccc(CCC(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000182060336 822077584 /nfs/dbraw/zinc/07/75/84/822077584.db2.gz YIBIDRTZFZBDES-UHFFFAOYSA-N 1 0 394.559 4.413 20 0 GIADRO CC(C)(C)Oc1ccc(C(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000182061811 822078167 /nfs/dbraw/zinc/07/81/67/822078167.db2.gz CFCLCHMCFKJSPT-UHFFFAOYSA-N 1 0 382.504 4.073 20 0 GIADRO CC(C)CCOc1ccc(C(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000182067439 822080009 /nfs/dbraw/zinc/08/00/09/822080009.db2.gz FCJSFBRYCUBPDN-UHFFFAOYSA-N 1 0 396.531 4.321 20 0 GIADRO C[C@@H](Cc1ccc(Cl)cc1)C(=O)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC000182068184 822080722 /nfs/dbraw/zinc/08/07/22/822080722.db2.gz MGRBWOMODLDERC-INIZCTEOSA-N 1 0 386.923 4.114 20 0 GIADRO COc1cccc2cc([C@H](C)[NH2+]C[C@H]3CC(=O)N(Cc4ccccc4)C3)oc21 ZINC000182084433 822087091 /nfs/dbraw/zinc/08/70/91/822087091.db2.gz WXVZXGCRIRHINP-FUHWJXTLSA-N 1 0 378.472 4.141 20 0 GIADRO CC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CCN(c3ccccc3OC(F)F)C2)cc1 ZINC000182085274 822087648 /nfs/dbraw/zinc/08/76/48/822087648.db2.gz DYFKNUSRGQVATF-KSSFIOAISA-N 1 0 389.446 4.176 20 0 GIADRO CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3ccccc3Cl)C2=O)cc1 ZINC000182097849 822092732 /nfs/dbraw/zinc/09/27/32/822092732.db2.gz SJXJARLFCUIINN-IFXJQAMLSA-N 1 0 385.895 4.145 20 0 GIADRO COCc1ccccc1CNC(=O)C[NH2+][C@@H](C)c1ccc(SC(C)C)cc1 ZINC000182104889 822095257 /nfs/dbraw/zinc/09/52/57/822095257.db2.gz AIEWFUBLYDWYGJ-KRWDZBQOSA-N 1 0 386.561 4.301 20 0 GIADRO COC(=O)c1ccc(Cl)c(C[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)c1 ZINC000182108738 822097021 /nfs/dbraw/zinc/09/70/21/822097021.db2.gz QKPJDHHTIUKKHE-CYBMUJFWSA-N 1 0 386.879 4.326 20 0 GIADRO NC(=O)C[C@@H]([NH2+]Cc1coc(-c2ccc(C(F)(F)F)cc2)n1)C1CCCCC1 ZINC000182114602 822099416 /nfs/dbraw/zinc/09/94/16/822099416.db2.gz VZGRKJOKFXCGEO-QGZVFWFLSA-N 1 0 395.425 4.274 20 0 GIADRO C[C@@H](Nc1cccc(OC[C@@H]2CCCO2)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000182126894 822106096 /nfs/dbraw/zinc/10/60/96/822106096.db2.gz FOZHDPOWANMMMJ-JPYJTQIMSA-N 1 0 384.520 4.358 20 0 GIADRO CC(=O)Nc1ccc([C@H](C)[NH2+]CCc2nc(-c3cccc(Cl)c3)no2)cc1 ZINC000182138140 822111993 /nfs/dbraw/zinc/11/19/93/822111993.db2.gz HUSLUSLURYDEMF-ZDUSSCGKSA-N 1 0 384.867 4.242 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1)c1cccc(N2CCOC2=O)c1 ZINC000182142430 822114968 /nfs/dbraw/zinc/11/49/68/822114968.db2.gz FDNXNSMJPPHGGD-INIZCTEOSA-N 1 0 396.487 4.449 20 0 GIADRO Clc1ccc(C[NH2+][C@@H](CN2CCOCC2)c2ccccc2)c2ncccc12 ZINC000182147529 822117965 /nfs/dbraw/zinc/11/79/65/822117965.db2.gz IYHFFPGYGKHUFM-NRFANRHFSA-N 1 0 381.907 4.051 20 0 GIADRO CCCC[C@H]([NH2+]CC(=O)Nc1ccc(NC(C)=O)cc1)c1ccc(OC)cc1 ZINC000182150216 822119145 /nfs/dbraw/zinc/11/91/45/822119145.db2.gz RTZWINDGXLNVMB-NRFANRHFSA-N 1 0 383.492 4.113 20 0 GIADRO C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1cccc(N2CCCC2=O)c1 ZINC000182158925 822123159 /nfs/dbraw/zinc/12/31/59/822123159.db2.gz DTDBWEZGDLVZAB-PRPYNDMISA-N 1 0 386.442 4.272 20 0 GIADRO CC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CCN(c3ccc(Cl)c(F)c3)C2)cc1 ZINC000182174406 822131533 /nfs/dbraw/zinc/13/15/33/822131533.db2.gz UEPHUPZPJWYRJZ-GUYCJALGSA-N 1 0 375.875 4.367 20 0 GIADRO Cc1cccnc1[C@@H]([NH2+]C[C@@H](O)COc1ccccc1C(F)(F)F)C(C)C ZINC000182175292 822132358 /nfs/dbraw/zinc/13/23/58/822132358.db2.gz PYNWBCFGQDXEBS-QAPCUYQASA-N 1 0 382.426 4.135 20 0 GIADRO CCC(CC)[C@@H]1C[C@@H](NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)CCO1 ZINC000182195325 822141780 /nfs/dbraw/zinc/14/17/80/822141780.db2.gz XSJWMRCZUPQVSP-ZJOUEHCJSA-N 1 0 391.556 4.090 20 0 GIADRO Brc1ccccc1CCC[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000182219677 822153253 /nfs/dbraw/zinc/15/32/53/822153253.db2.gz LPHHZVGGMZQZLO-INIZCTEOSA-N 1 0 389.341 4.188 20 0 GIADRO CC(C)[C@@H]([NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1)c1ccc(Cl)cc1F ZINC000182276414 822183223 /nfs/dbraw/zinc/18/32/23/822183223.db2.gz GGFYPQRCXAZZLR-KZULUSFZSA-N 1 0 384.904 4.174 20 0 GIADRO CC(C)[C@H]([NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1)c1ccc(Cl)cc1F ZINC000182276400 822183331 /nfs/dbraw/zinc/18/33/31/822183331.db2.gz GGFYPQRCXAZZLR-XIKOKIGWSA-N 1 0 384.904 4.174 20 0 GIADRO Cc1ccccc1-n1nccc1NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000182327289 822203539 /nfs/dbraw/zinc/20/35/39/822203539.db2.gz RKXZSDRVMDPJOJ-PMACEKPBSA-N 1 0 395.551 4.299 20 0 GIADRO C[C@@H]([NH2+]C1(c2cccc(C(F)(F)F)c2)CCC1)c1ccc(-n2cnnn2)cc1 ZINC000182331086 822204794 /nfs/dbraw/zinc/20/47/94/822204794.db2.gz AOBIDYWIQFDQCF-CQSZACIVSA-N 1 0 387.409 4.411 20 0 GIADRO CC[C@@H]([NH2+]Cc1nc(=O)c2c([nH]1)sc(C)c2-c1ccc(C)cc1)[C@H]1CCCO1 ZINC000182334759 822206027 /nfs/dbraw/zinc/20/60/27/822206027.db2.gz ZSBCWNAOWFWYRC-IAGOWNOFSA-N 1 0 397.544 4.316 20 0 GIADRO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2ccc3cc(OC)ccc3c2)cc1 ZINC000182336171 822206546 /nfs/dbraw/zinc/20/65/46/822206546.db2.gz NNCSKTXNYUEIIM-INIZCTEOSA-N 1 0 383.513 4.493 20 0 GIADRO Cc1ccc([C@H](C)[NH2+]CC(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)cc1 ZINC000182336335 822206656 /nfs/dbraw/zinc/20/66/56/822206656.db2.gz MAYWXEPSAYGVOG-LPHOPBHVSA-N 1 0 377.444 4.210 20 0 GIADRO COc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@@H](C)c2ccc(C)cc2)cc1OC ZINC000182351200 822211163 /nfs/dbraw/zinc/21/11/63/822211163.db2.gz BGVYAOKOSFMJTB-PXNSSMCTSA-N 1 0 382.504 4.027 20 0 GIADRO C[C@@H](NC(=O)NCc1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182353171 822211858 /nfs/dbraw/zinc/21/18/58/822211858.db2.gz ZWIVZGAKNHFVPL-GDBMZVCRSA-N 1 0 383.458 4.158 20 0 GIADRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc(F)cn1 ZINC000182369833 822218222 /nfs/dbraw/zinc/21/82/22/822218222.db2.gz GOSMZSFMBJIBLA-UHFFFAOYSA-N 1 0 384.282 4.122 20 0 GIADRO CCCOc1cccc(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)c1 ZINC000182371796 822218999 /nfs/dbraw/zinc/21/89/99/822218999.db2.gz JEGPBIJKMUZUGQ-UHFFFAOYSA-N 1 0 381.520 4.258 20 0 GIADRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)c1 ZINC000182372135 822219054 /nfs/dbraw/zinc/21/90/54/822219054.db2.gz NPLVYDXJDSPGFR-GFCCVEGCSA-N 1 0 397.302 4.017 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3cc(-c4cccs4)on3)cc2)CC1 ZINC000182374748 822220313 /nfs/dbraw/zinc/22/03/13/822220313.db2.gz SFDWKZDBNOQOKB-UHFFFAOYSA-N 1 0 396.516 4.186 20 0 GIADRO COc1ccc([C@@H](CCO)[NH2+]CC(=O)Nc2ccccc2-c2ccccc2)cc1 ZINC000182380368 822222231 /nfs/dbraw/zinc/22/22/31/822222231.db2.gz JHGXKKRNKXGBQV-JOCHJYFZSA-N 1 0 390.483 4.014 20 0 GIADRO COc1ccc([C@H](CCO)[NH2+]Cc2cc(C)nc(-c3ccc(Cl)cc3)n2)cc1 ZINC000182400562 822230295 /nfs/dbraw/zinc/23/02/95/822230295.db2.gz OJIRZNIBTMCLLR-NRFANRHFSA-N 1 0 397.906 4.327 20 0 GIADRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)c1 ZINC000182411523 822233488 /nfs/dbraw/zinc/23/34/88/822233488.db2.gz UHRWOAFPRHRYRN-ZIAGYGMSSA-N 1 0 376.884 4.349 20 0 GIADRO CCOCc1ccc(CNC(=O)C[NH2+][C@@H](C)c2ccc(C(F)(F)F)cc2)cc1 ZINC000182439992 822243524 /nfs/dbraw/zinc/24/35/24/822243524.db2.gz CKWYQVLTTIAMNL-HNNXBMFYSA-N 1 0 394.437 4.209 20 0 GIADRO Cc1cc(NC(=O)C[NH2+][C@@H](C)c2ccc(C(F)(F)F)cc2)n(C(C)(C)C)n1 ZINC000182457984 822249882 /nfs/dbraw/zinc/24/98/82/822249882.db2.gz OHKDTKJESTYSSK-ZDUSSCGKSA-N 1 0 382.430 4.255 20 0 GIADRO C[C@@H]([NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccc(N2CCCC2=O)cc1 ZINC000177940194 822250267 /nfs/dbraw/zinc/25/02/67/822250267.db2.gz DWGQQYJMEPBBSW-VOIUYBSRSA-N 1 0 392.499 4.387 20 0 GIADRO Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+][C@H](C)C(=O)NCc1ccccc1 ZINC000177945286 822252031 /nfs/dbraw/zinc/25/20/31/822252031.db2.gz OVNKOUYZMPCUPX-FUHWJXTLSA-N 1 0 393.556 4.398 20 0 GIADRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)C(=O)N[C@@H](C)c2cccc3ccccc32)c1 ZINC000182469847 822255179 /nfs/dbraw/zinc/25/51/79/822255179.db2.gz LKTCYNUGIGDQQQ-YESZJQIVSA-N 1 0 392.499 4.471 20 0 GIADRO C[C@H](Cc1cccc(Br)c1)[NH2+][C@H](C)c1ccc([S@](C)=O)cc1 ZINC000177955316 822256374 /nfs/dbraw/zinc/25/63/74/822256374.db2.gz KECHWYBHAAFKDW-SOHPYSCWSA-N 1 0 380.351 4.468 20 0 GIADRO C[C@H](C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1)n1cnc2ccccc21 ZINC000177971244 822263657 /nfs/dbraw/zinc/26/36/57/822263657.db2.gz SXQPLZRJKKSROQ-RBUKOAKNSA-N 1 0 382.552 4.100 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCCc2cc(F)ccc21)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000182490525 822264030 /nfs/dbraw/zinc/26/40/30/822264030.db2.gz WAAGZFRTYRBLCZ-IVZQSRNASA-N 1 0 382.479 4.211 20 0 GIADRO O=C1O[C@H](C[N@@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)CN1c1ccccc1 ZINC000177974818 822265376 /nfs/dbraw/zinc/26/53/76/822265376.db2.gz ISZOEQBFMGRGFN-FUHWJXTLSA-N 1 0 397.544 4.227 20 0 GIADRO CCc1nc2c(s1)[C@H]([NH2+]CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)CCC2 ZINC000177976158 822266119 /nfs/dbraw/zinc/26/61/19/822266119.db2.gz BDADNGYMCAOTLQ-HUUCEWRRSA-N 1 0 379.570 4.320 20 0 GIADRO C[C@@H]([NH2+]CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(-n2ccnc2)cc1 ZINC000177976874 822266484 /nfs/dbraw/zinc/26/64/84/822266484.db2.gz ISOCVWBHPPIDCI-QZTJIDSGSA-N 1 0 384.524 4.170 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(OC)c1 ZINC000177977316 822266622 /nfs/dbraw/zinc/26/66/22/822266622.db2.gz WTNPVGJWZRKKFK-HZPDHXFCSA-N 1 0 378.513 4.002 20 0 GIADRO CC(=O)c1ccc(NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)cc1Cl ZINC000182498665 822269078 /nfs/dbraw/zinc/26/90/78/822269078.db2.gz BBDUCZNOWCROMG-UHFFFAOYSA-N 1 0 399.922 4.371 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cc(Br)c(F)cc2Cl)C1 ZINC000177990542 822272622 /nfs/dbraw/zinc/27/26/22/822272622.db2.gz XHCAWXPCZJQFNX-SNVBAGLBSA-N 1 0 392.700 4.047 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(CN2CCCC2=O)c1)c1ccc(F)cc1OC(F)F ZINC000177996113 822275569 /nfs/dbraw/zinc/27/55/69/822275569.db2.gz SFFJMFGEGCYXOY-AWEZNQCLSA-N 1 0 392.421 4.400 20 0 GIADRO CC[C@@H](NC(=O)C[NH2+][C@@H](C)c1cccc(NC(C)=O)c1)c1ccc(Cl)cc1 ZINC000182528043 822284456 /nfs/dbraw/zinc/28/44/56/822284456.db2.gz AFLWZANCJDJYNX-VBKZILBWSA-N 1 0 387.911 4.217 20 0 GIADRO Cc1ccc(-c2cc(C[NH2+][C@H](C)c3ccc(N4CCOC4=O)cc3)on2)cc1 ZINC000178026159 822288193 /nfs/dbraw/zinc/28/81/93/822288193.db2.gz QYCGCGDKGQZTGC-MRXNPFEDSA-N 1 0 377.444 4.457 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccccc1Br)c1ccc(NS(C)(=O)=O)cc1 ZINC000178026991 822288931 /nfs/dbraw/zinc/28/89/31/822288931.db2.gz FESMAFCPMQOMTQ-STQMWFEESA-N 1 0 397.338 4.232 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2c(C)c(C(C)(C)C)nn2-c2ccccc2)C1 ZINC000178036532 822292993 /nfs/dbraw/zinc/29/29/93/822292993.db2.gz GWPQYTLXYCHHSV-GOSISDBHSA-N 1 0 397.567 4.284 20 0 GIADRO COc1cc(C)c([C@@H](C)[NH2+][C@@H](C)CC(=O)Nc2cccnc2Cl)cc1OC ZINC000178036112 822293009 /nfs/dbraw/zinc/29/30/09/822293009.db2.gz HAGIPGVTJIJQFG-UONOGXRCSA-N 1 0 391.899 4.129 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+]CC(=O)N[C@@H](c2ccccc2)C2CCCC2)c1 ZINC000182550999 822297480 /nfs/dbraw/zinc/29/74/80/822297480.db2.gz QVXASCQVBJFLIM-XDHUDOTRSA-N 1 0 393.531 4.343 20 0 GIADRO O[C@H](CCc1ccccc1)C[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000182552307 822298278 /nfs/dbraw/zinc/29/82/78/822298278.db2.gz ISBONSVXBHKEDB-JKSUJKDBSA-N 1 0 384.467 4.335 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(NS(C)(=O)=O)cc1)c1cccc(C(F)(F)F)c1 ZINC000178048983 822300435 /nfs/dbraw/zinc/30/04/35/822300435.db2.gz VNQBWYTZZDWRRQ-QWHCGFSZSA-N 1 0 386.439 4.489 20 0 GIADRO CC(C)(C)OC(=O)NC1(C(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)CC1 ZINC000178051574 822301483 /nfs/dbraw/zinc/30/14/83/822301483.db2.gz ICPSIHWDZOFDHI-UHFFFAOYSA-N 1 0 387.524 4.058 20 0 GIADRO Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]Cc1cccnc1-n1cncn1 ZINC000178054274 822302423 /nfs/dbraw/zinc/30/24/23/822302423.db2.gz VFMFBVLUUSFJRR-IBGZPJMESA-N 1 0 375.501 4.106 20 0 GIADRO O=C(Nc1ccc2c(c1)CCO2)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000178066149 822307081 /nfs/dbraw/zinc/30/70/81/822307081.db2.gz NSKNHZGZYHAMEU-UNMCSNQZSA-N 1 0 391.515 4.140 20 0 GIADRO COc1ccc(C(=O)N2CCC(CCC[NH+](C)C)CC2)cc1OC1CCCC1 ZINC000182570045 822307698 /nfs/dbraw/zinc/30/76/98/822307698.db2.gz MYTVAKFZESVJGC-UHFFFAOYSA-N 1 0 388.552 4.211 20 0 GIADRO CCN(CC)C(=O)CCC1CC[NH+]([C@H](C)c2nnc(-c3ccc(C)cc3)o2)CC1 ZINC000182574507 822308431 /nfs/dbraw/zinc/30/84/31/822308431.db2.gz VWJXMQZNNKRRTE-GOSISDBHSA-N 1 0 398.551 4.467 20 0 GIADRO CN(C)C(=O)c1cccc(NC(=O)C[NH2+][C@H](c2ccc(Cl)cc2)C2CCC2)c1 ZINC000182576202 822309678 /nfs/dbraw/zinc/30/96/78/822309678.db2.gz YUMSWROYQBVBLB-NRFANRHFSA-N 1 0 399.922 4.111 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]C2CCN(C(=O)CC(C)C)CC2)cc1Br ZINC000178079588 822311218 /nfs/dbraw/zinc/31/12/18/822311218.db2.gz DBQQHIGDNUUALM-CQSZACIVSA-N 1 0 397.357 4.145 20 0 GIADRO CC[C@H]([NH2+]CC(=O)NC[C@@H]1CCN(c2ccccc2)C1)c1cccc(Cl)c1 ZINC000182584208 822312306 /nfs/dbraw/zinc/31/23/06/822312306.db2.gz NTDPNQJBFDUJFM-UWJYYQICSA-N 1 0 385.939 4.023 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@@H]2CCc3cc(Cl)ccc32)ccc1S(C)(=O)=O ZINC000178085780 822313580 /nfs/dbraw/zinc/31/35/80/822313580.db2.gz DWNTVERDFVUHEH-YVEFUNNKSA-N 1 0 379.909 4.090 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(-n2cccn2)cc1)c1ccc(OCc2nccn2C)cc1 ZINC000178089912 822314933 /nfs/dbraw/zinc/31/49/33/822314933.db2.gz HLRRBOHNVFBVBL-GOSISDBHSA-N 1 0 387.487 4.036 20 0 GIADRO COc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@H](C)C(=O)NC(C)(C)C)CCC3)cc1 ZINC000178096154 822317480 /nfs/dbraw/zinc/31/74/80/822317480.db2.gz TYZVUZFNEQULJI-CZUORRHYSA-N 1 0 387.549 4.089 20 0 GIADRO COc1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@@H](C)C(=O)NC(C)(C)C)CCC3)cc1 ZINC000178096168 822317731 /nfs/dbraw/zinc/31/77/31/822317731.db2.gz TYZVUZFNEQULJI-BBRMVZONSA-N 1 0 387.549 4.089 20 0 GIADRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)Nc1ccc(-c2ncco2)cc1 ZINC000182617229 822324618 /nfs/dbraw/zinc/32/46/18/822324618.db2.gz SXKUPPPWXQOHCS-FQEVSTJZSA-N 1 0 376.460 4.300 20 0 GIADRO COc1ccc(Cc2nc(C)c([C@@H](C)[NH2+]C[C@@](C)(O)C(C)C)s2)cc1OC ZINC000178120766 822325628 /nfs/dbraw/zinc/32/56/28/822325628.db2.gz FQTKVHJNMMRAHE-SPLOXXLWSA-N 1 0 392.565 4.117 20 0 GIADRO CCOc1cc(Cl)ccc1C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000182623197 822326748 /nfs/dbraw/zinc/32/67/48/822326748.db2.gz IZZADRJBJSWZDR-HNNXBMFYSA-N 1 0 387.911 4.089 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)NCc2nc(C3CC3)cs2)CC1 ZINC000182625549 822327694 /nfs/dbraw/zinc/32/76/94/822327694.db2.gz JSXXUCHXJJUNBM-UHFFFAOYSA-N 1 0 378.586 4.064 20 0 GIADRO COc1cc([C@H](C)[NH2+]C/C=C/c2ccccc2)ccc1S(=O)(=O)C(F)F ZINC000178136388 822329655 /nfs/dbraw/zinc/32/96/55/822329655.db2.gz AXIIDIIKZKHZOY-MRZGDXHCSA-N 1 0 381.444 4.056 20 0 GIADRO C[C@@H](NC(=O)[C@H](C)[NH2+][C@@H](C)c1cc2ccccc2o1)c1ccc2c(c1)OCCO2 ZINC000182629139 822330238 /nfs/dbraw/zinc/33/02/38/822330238.db2.gz VONZYKALJOZLRR-PMPSAXMXSA-N 1 0 394.471 4.121 20 0 GIADRO CC(C)Oc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)cc1 ZINC000178142862 822331304 /nfs/dbraw/zinc/33/13/04/822331304.db2.gz HKGIFJALBXRNEO-GJZGRUSLSA-N 1 0 379.497 4.428 20 0 GIADRO O=C(Nc1cccc(-c2cccs2)c1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000178145619 822332150 /nfs/dbraw/zinc/33/21/50/822332150.db2.gz XWAQHFGRBNODFX-PMACEKPBSA-N 1 0 399.560 4.305 20 0 GIADRO Cc1c([C@H](C)[NH2+]Cc2ccccc2-n2cccn2)cnn1-c1ccc(F)cc1 ZINC000178145152 822332191 /nfs/dbraw/zinc/33/21/91/822332191.db2.gz QYSVDKASGKTJTF-INIZCTEOSA-N 1 0 375.451 4.356 20 0 GIADRO CCC[N@H+](CCC(=O)c1ccccc1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000182637593 822333358 /nfs/dbraw/zinc/33/33/58/822333358.db2.gz OJYQHLKXMDOZKM-UHFFFAOYSA-N 1 0 378.516 4.276 20 0 GIADRO COc1cc(C)c([C@H](C)NC(=O)C[NH2+][C@H](C)c2cc3ccccc3o2)cc1OC ZINC000182639468 822334358 /nfs/dbraw/zinc/33/43/58/822334358.db2.gz BIFZPDMAEAMLLO-JKSUJKDBSA-N 1 0 396.487 4.286 20 0 GIADRO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000178164612 822338052 /nfs/dbraw/zinc/33/80/52/822338052.db2.gz WKBDIYKSBRERFQ-UHFFFAOYSA-N 1 0 394.606 4.163 20 0 GIADRO CC(C)OCCOCc1cccc(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC000178164720 822338136 /nfs/dbraw/zinc/33/81/36/822338136.db2.gz VAOJSSTWWDNFCU-HXUWFJFHSA-N 1 0 388.552 4.221 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1cc(Br)ccc1F)c1ccc(NC(N)=O)cc1 ZINC000178166860 822338783 /nfs/dbraw/zinc/33/87/83/822338783.db2.gz CXHLFSAQSAQOIQ-MNOVXSKESA-N 1 0 380.261 4.491 20 0 GIADRO C[C@H](NC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ncc(-c2ccccc2)o1 ZINC000182656554 822340896 /nfs/dbraw/zinc/34/08/96/822340896.db2.gz YLQKAGABDGQNBK-JENIJYKNSA-N 1 0 396.535 4.355 20 0 GIADRO COC(=O)c1ccc(C[NH2+]CCc2csc(-c3ccc(Cl)cc3)n2)o1 ZINC000182671521 822346195 /nfs/dbraw/zinc/34/61/95/822346195.db2.gz JQLJNDYBJRDNJG-UHFFFAOYSA-N 1 0 376.865 4.175 20 0 GIADRO C[C@@H]([NH2+]CCSc1ccnc2cc(Cl)ccc21)c1nnc2ccccn21 ZINC000182673089 822346655 /nfs/dbraw/zinc/34/66/55/822346655.db2.gz KYMNCRKXMYZHHE-CYBMUJFWSA-N 1 0 383.908 4.374 20 0 GIADRO COc1ccccc1-c1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3ncccn3)C2)cc1 ZINC000178191717 822348384 /nfs/dbraw/zinc/34/83/84/822348384.db2.gz PDXDBUHWQOZVKT-GHTZIAJQSA-N 1 0 388.515 4.472 20 0 GIADRO Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+][C@H]1CCCN(c2ncccn2)C1 ZINC000178193816 822348676 /nfs/dbraw/zinc/34/86/76/822348676.db2.gz QYXGYHBKUSYLIA-LPHOPBHVSA-N 1 0 393.560 4.152 20 0 GIADRO O=C(Nc1ccc(F)cc1OCC(F)(F)F)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178200223 822350286 /nfs/dbraw/zinc/35/02/86/822350286.db2.gz QSBDCHGEARWWTN-CYBMUJFWSA-N 1 0 388.405 4.360 20 0 GIADRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C2CCN(Cc3ccccc3)CC2)CC1 ZINC000182686484 822350975 /nfs/dbraw/zinc/35/09/75/822350975.db2.gz SETGNDXUZRMOGX-HXUWFJFHSA-N 1 0 387.568 4.030 20 0 GIADRO Cc1cc(C)c2c(c1)[C@@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1F)CCCO2 ZINC000178203134 822351563 /nfs/dbraw/zinc/35/15/63/822351563.db2.gz WHJIYFWPPREWSZ-HNNXBMFYSA-N 1 0 378.394 4.163 20 0 GIADRO COc1ccc(CCC(=O)Nc2ccc([C@@H](C)[NH3+])cc2)cc1Br ZINC000178207113 822352738 /nfs/dbraw/zinc/35/27/38/822352738.db2.gz CSANRRIYJGCXFK-GFCCVEGCSA-N 1 0 377.282 4.049 20 0 GIADRO C[NH+](C)CCn1c(=O)oc2ccc(NCc3ccc(-c4ccc(F)cc4)o3)cc21 ZINC000178208436 822353178 /nfs/dbraw/zinc/35/31/78/822353178.db2.gz BIJTVKVZUZPVSF-UHFFFAOYSA-N 1 0 395.434 4.167 20 0 GIADRO CCCc1c(C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)nnn1-c1cccc(Cl)c1 ZINC000178211486 822353366 /nfs/dbraw/zinc/35/33/66/822353366.db2.gz LBOWBNCOLAIQBJ-CYBMUJFWSA-N 1 0 383.883 4.145 20 0 GIADRO Cc1nn(C)cc1[C@@H](C)[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000178220509 822355089 /nfs/dbraw/zinc/35/50/89/822355089.db2.gz CZPDFIIOUGGWPZ-CYBMUJFWSA-N 1 0 381.351 4.351 20 0 GIADRO COc1ccc(OC)c([C@@H](C)[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000182705851 822356089 /nfs/dbraw/zinc/35/60/89/822356089.db2.gz YKNTYKZTXFWDQY-CVEARBPZSA-N 1 0 378.513 4.144 20 0 GIADRO C[C@@H]([NH2+]C1CCN(Cc2ccncc2)CC1)c1ccc(F)c(Br)c1 ZINC000178231123 822356817 /nfs/dbraw/zinc/35/68/17/822356817.db2.gz NRGFUFHLCBKUOZ-CQSZACIVSA-N 1 0 392.316 4.298 20 0 GIADRO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)CC(C)(C)c3ccccc3)CC2)C[C@H](C)O1 ZINC000178239712 822357540 /nfs/dbraw/zinc/35/75/40/822357540.db2.gz UADHVENNQIZDCZ-BGYRXZFFSA-N 1 0 386.580 4.092 20 0 GIADRO CC(C)(C)[S@](=O)Cc1cccc(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC000178245363 822357994 /nfs/dbraw/zinc/35/79/94/822357994.db2.gz NDWGTUFKUAROOC-DNOBIOAJSA-N 1 0 390.593 4.327 20 0 GIADRO CSc1cc(C)ccc1CNC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182724632 822358108 /nfs/dbraw/zinc/35/81/08/822358108.db2.gz NFEGMAYPAHANIB-WMZOPIPTSA-N 1 0 375.582 4.169 20 0 GIADRO COc1cccc([C@H]2CCCN2C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000045029547 822358177 /nfs/dbraw/zinc/35/81/77/822358177.db2.gz ZELZREAEPVRNGP-HSZRJFAPSA-N 1 0 393.531 4.206 20 0 GIADRO C[C@@H]1C[NH+](CCC2CCN(C(=O)CCc3ccccc3Cl)CC2)C[C@@H](C)O1 ZINC000178245667 822358236 /nfs/dbraw/zinc/35/82/36/822358236.db2.gz SCOFQWMWCMNVPZ-QZTJIDSGSA-N 1 0 392.971 4.011 20 0 GIADRO Cc1cnc(CC[NH2+][C@@H]2c3cc(Br)ccc3SC[C@H]2C)cn1 ZINC000453404309 822358454 /nfs/dbraw/zinc/35/84/54/822358454.db2.gz PNWFOHCUAPBLCB-DIFFPNOSSA-N 1 0 378.339 4.163 20 0 GIADRO CC[C@H]([NH2+][C@H]1CCO[C@@H](c2nccn2C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000453405436 822358519 /nfs/dbraw/zinc/35/85/19/822358519.db2.gz SNBJDEJGZOGBHS-BHYGNILZSA-N 1 0 383.414 4.280 20 0 GIADRO Cc1ccc(OCCC(=O)Nc2ccc([C@H](C)[NH3+])cc2)c(Br)c1 ZINC000178249523 822358559 /nfs/dbraw/zinc/35/85/59/822358559.db2.gz HAKJTUBUPUOCHG-ZDUSSCGKSA-N 1 0 377.282 4.185 20 0 GIADRO Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@H]1CCCc2cc(Br)ccc21 ZINC000453411588 822359123 /nfs/dbraw/zinc/35/91/23/822359123.db2.gz APGAVVNHWOZIGM-UGSOOPFHSA-N 1 0 388.309 4.147 20 0 GIADRO C[C@H](NC(=O)NC[C@H](c1cccs1)[NH+](C)C)c1ccc(OC(F)F)cc1 ZINC000045039658 822359181 /nfs/dbraw/zinc/35/91/81/822359181.db2.gz VGHQLHCFAVJAPM-SWLSCSKDSA-N 1 0 383.464 4.013 20 0 GIADRO COC[C@H]([NH2+]CCC(=O)Nc1cccc(Cl)c1C)c1ccc(F)c(F)c1 ZINC000182733076 822359225 /nfs/dbraw/zinc/35/92/25/822359225.db2.gz SEKIYHUDNAKYJV-SFHVURJKSA-N 1 0 382.838 4.233 20 0 GIADRO C[C@H](CC(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1cccc(F)c1 ZINC000178255709 822359409 /nfs/dbraw/zinc/35/94/09/822359409.db2.gz JKAIWKDQHUTQLJ-QRVBRYPASA-N 1 0 390.543 4.057 20 0 GIADRO C[C@]1(C[NH2+][C@@H]2CCCc3nc(-c4ccc(Cl)cc4)sc32)CCC(=O)N1 ZINC000453413946 822359532 /nfs/dbraw/zinc/35/95/32/822359532.db2.gz WVKRWYAJJUDAJG-AUUYWEPGSA-N 1 0 375.925 4.099 20 0 GIADRO C[C@@]1(C[NH2+][C@@H]2CCCc3nc(-c4ccc(Cl)cc4)sc32)CCC(=O)N1 ZINC000453413951 822359591 /nfs/dbraw/zinc/35/95/91/822359591.db2.gz WVKRWYAJJUDAJG-KUHUBIRLSA-N 1 0 375.925 4.099 20 0 GIADRO Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](C)c2c1cccc2Br ZINC000453419668 822360416 /nfs/dbraw/zinc/36/04/16/822360416.db2.gz DDVPYCSXDQARIU-ZUCKAHLUSA-N 1 0 388.309 4.318 20 0 GIADRO C[C@H](CS(C)(=O)=O)[NH2+]Cc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1 ZINC000182745678 822361384 /nfs/dbraw/zinc/36/13/84/822361384.db2.gz OILSAWCCNFZROA-CYBMUJFWSA-N 1 0 387.423 4.020 20 0 GIADRO CS(=O)(=O)c1cccc([C@H]([NH2+]CCC2CC(F)(F)C2)c2ccc(F)cc2)c1 ZINC000453431912 822362017 /nfs/dbraw/zinc/36/20/17/822362017.db2.gz RVDIOWYRHKDGMJ-LJQANCHMSA-N 1 0 397.462 4.344 20 0 GIADRO Cc1cc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccnc2C)sc1Br ZINC000453430231 822362081 /nfs/dbraw/zinc/36/20/81/822362081.db2.gz IRDNYOQVSFQPDR-NEPJUHHUSA-N 1 0 382.327 4.200 20 0 GIADRO COc1cc(OC)cc(N2CC[C@@H]([NH2+][C@H](C)c3ccc4ccccc4n3)C2)c1 ZINC000178275982 822362273 /nfs/dbraw/zinc/36/22/73/822362273.db2.gz WFJDTGIADHQXIS-SJLPKXTDSA-N 1 0 377.488 4.182 20 0 GIADRO COc1ccc(Cc2nc(C)c([C@@H](C)[NH2+]CC3CCOCC3)s2)cc1OC ZINC000178281368 822362732 /nfs/dbraw/zinc/36/27/32/822362732.db2.gz PHDXITDHNFHLKX-CQSZACIVSA-N 1 0 390.549 4.137 20 0 GIADRO COc1ccc([C@H](C)NC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cc1F ZINC000045102426 822363080 /nfs/dbraw/zinc/36/30/80/822363080.db2.gz COQRJMKUVYRZIM-KRWDZBQOSA-N 1 0 399.510 4.168 20 0 GIADRO C[C@H]([NH2+]C[C@H]1CCOC(C)(C)C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000453439001 822363155 /nfs/dbraw/zinc/36/31/55/822363155.db2.gz VQBAIYDMOHHACX-IRXDYDNUSA-N 1 0 379.566 4.259 20 0 GIADRO COc1ccc([C@H](C)[NH2+]Cc2cccc(CS(C)(=O)=O)c2)c2ccccc12 ZINC000178286277 822363462 /nfs/dbraw/zinc/36/34/62/822363462.db2.gz XOVZWXHIMSCOPL-INIZCTEOSA-N 1 0 383.513 4.244 20 0 GIADRO CC[C@@H]([NH2+][C@@H](C)c1cccc(N2CCCS2(=O)=O)c1)c1ccc(OC)cc1 ZINC000178290648 822364028 /nfs/dbraw/zinc/36/40/28/822364028.db2.gz OYSWQYGXYXJGKY-HRAATJIYSA-N 1 0 388.533 4.037 20 0 GIADRO C[C@@H]([NH2+]C[C@H](O)CCc1ccccc1)c1cccc(OCc2ccccn2)c1 ZINC000182766565 822364315 /nfs/dbraw/zinc/36/43/15/822364315.db2.gz MLTGNALZBVNBOI-AUSIDOKSSA-N 1 0 376.500 4.305 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CCSCc2ccccc2F)cc1NC(C)=O ZINC000178319861 822366886 /nfs/dbraw/zinc/36/68/86/822366886.db2.gz IOUZGQFKQFRXST-AWEZNQCLSA-N 1 0 376.497 4.377 20 0 GIADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)N[C@H](c1ccco1)c1ccccc1 ZINC000045154974 822366904 /nfs/dbraw/zinc/36/69/04/822366904.db2.gz WTPBFXQIGRBVNP-QHCPKHFHSA-N 1 0 391.515 4.185 20 0 GIADRO CCN(c1nnc([C@@H]2CCCCO2)n1CC)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000453455312 822367037 /nfs/dbraw/zinc/36/70/37/822367037.db2.gz SRQZQRMPQTXGHX-NRSPTQNISA-N 1 0 397.567 4.201 20 0 GIADRO C[C@H](CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1)c1nccs1 ZINC000182792425 822367969 /nfs/dbraw/zinc/36/79/69/822367969.db2.gz QRFPNARISXVTHJ-CVEARBPZSA-N 1 0 392.594 4.081 20 0 GIADRO COc1cc([C@H](C)[NH2+]C[C@H]2CN(CC(C)C)CCO2)ccc1SC(F)F ZINC000178332609 822368108 /nfs/dbraw/zinc/36/81/08/822368108.db2.gz MSXZQYYKDKYKHJ-HOCLYGCPSA-N 1 0 388.524 4.017 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)N1CCC[C@H]1c1ccncc1 ZINC000045182168 822368324 /nfs/dbraw/zinc/36/83/24/822368324.db2.gz ANGBXDTUHQOMMZ-NRFANRHFSA-N 1 0 398.938 4.246 20 0 GIADRO COCCc1nc(C)c([C@@H](C)Nc2cccc(C[NH+]3CCSCC3)c2)s1 ZINC000182806965 822370946 /nfs/dbraw/zinc/37/09/46/822370946.db2.gz DVYKUTANFKHNLJ-OAHLLOKOSA-N 1 0 391.606 4.362 20 0 GIADRO CCC[C@@H]1CN(c2nnc([C@@H]3CC[C@H](C)O3)n2CC)CC[N@@H+]1Cc1ccccc1 ZINC000453469958 822371557 /nfs/dbraw/zinc/37/15/57/822371557.db2.gz WVSMPISSMGJSAC-TYPHKJRUSA-N 1 0 397.567 4.029 20 0 GIADRO O=C(N[C@H]1CCSc2ccc(F)cc21)N1CCC([NH+]2CCCCC2)CC1 ZINC000045233642 822371863 /nfs/dbraw/zinc/37/18/63/822371863.db2.gz OQFIKCXIHZBUDP-SFHVURJKSA-N 1 0 377.529 4.023 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000178367470 822371905 /nfs/dbraw/zinc/37/19/05/822371905.db2.gz ONSOZFKQQXWZQJ-LBPRGKRZSA-N 1 0 384.471 4.191 20 0 GIADRO CC[N@H+](Cc1cccc(C(=O)NCc2ccco2)c1)[C@@H](C)c1cccc(O)c1 ZINC000178380066 822373181 /nfs/dbraw/zinc/37/31/81/822373181.db2.gz FEAPFZOKYBJNBL-KRWDZBQOSA-N 1 0 378.472 4.498 20 0 GIADRO C[NH+](C)CCCOc1ccc(CNC(=O)Nc2c(F)cc(Cl)cc2F)cc1 ZINC000182826140 822373886 /nfs/dbraw/zinc/37/38/86/822373886.db2.gz LPMISDUBWMFQSE-UHFFFAOYSA-N 1 0 397.853 4.270 20 0 GIADRO C[C@H]([NH2+][C@@H]1CC(C)(C)c2ccccc21)c1cccc(N2CCCS2(=O)=O)c1 ZINC000178406604 822376351 /nfs/dbraw/zinc/37/63/51/822376351.db2.gz RIDDBLQJBGIOTE-HRAATJIYSA-N 1 0 384.545 4.300 20 0 GIADRO COc1cc(CN2CC[C@@H]([NH2+][C@H](C)c3ccc4ccccc4n3)C2)cc(OC)c1 ZINC000178411823 822376655 /nfs/dbraw/zinc/37/66/55/822376655.db2.gz NIJGJWCBUXISLI-YLJYHZDGSA-N 1 0 391.515 4.177 20 0 GIADRO C[C@H]([NH2+]CCc1ccc(Br)cc1)c1cccc(N2CCOC2=O)c1 ZINC000178424999 822377927 /nfs/dbraw/zinc/37/79/27/822377927.db2.gz GPGIUSHWZXODHZ-AWEZNQCLSA-N 1 0 389.293 4.299 20 0 GIADRO O=C(Nc1ccccc1SC(F)F)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000178432510 822378611 /nfs/dbraw/zinc/37/86/11/822378611.db2.gz YSYHTJRFKAFULY-BBRMVZONSA-N 1 0 381.492 4.482 20 0 GIADRO O=C(Nc1ccccc1OC(F)(F)F)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000178434246 822378647 /nfs/dbraw/zinc/37/86/47/822378647.db2.gz YFQWBANNWVXFTD-CJNGLKHVSA-N 1 0 383.414 4.066 20 0 GIADRO CC(C)C[NH+]1CCC(NC(=O)C[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000178435699 822379002 /nfs/dbraw/zinc/37/90/02/822379002.db2.gz QSPOEMYYBDXVCY-OAHLLOKOSA-N 1 0 381.358 4.179 20 0 GIADRO C[NH+](C)Cc1c2ccccc2oc1C(=O)N[C@H]1CCCOc2cc(F)ccc21 ZINC000182851850 822379061 /nfs/dbraw/zinc/37/90/61/822379061.db2.gz DMGDJVJGWCDEPQ-SFHVURJKSA-N 1 0 382.435 4.277 20 0 GIADRO CC[C@H](C)c1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1Cc1cccs1 ZINC000453502429 822379432 /nfs/dbraw/zinc/37/94/32/822379432.db2.gz RCXWMSRHWAHZQV-IRXDYDNUSA-N 1 0 387.597 4.212 20 0 GIADRO COc1cc(OC)cc(N2CC[C@@H](C[NH2+][C@H](C)c3ccc4ccccc4n3)C2)c1 ZINC000178443778 822379644 /nfs/dbraw/zinc/37/96/44/822379644.db2.gz LYKKZBPBWKDKQW-MSOLQXFVSA-N 1 0 391.515 4.429 20 0 GIADRO COc1ccccc1[C@H](O)C[NH2+][C@@H](C)c1cnn(-c2cccc(Cl)c2)c1C ZINC000178443755 822379672 /nfs/dbraw/zinc/37/96/72/822379672.db2.gz CSLVHYPZWOUIHU-VBKZILBWSA-N 1 0 385.895 4.227 20 0 GIADRO O=C(Nc1ccc(Cl)cn1)C1CC[NH+](CCCc2cccc(F)c2)CC1 ZINC000182860085 822380710 /nfs/dbraw/zinc/38/07/10/822380710.db2.gz ZWIUUDGUGIVCAP-UHFFFAOYSA-N 1 0 375.875 4.157 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCSc2ccc(F)cc21)c1ccc(NS(C)(=O)=O)cc1 ZINC000178461323 822381340 /nfs/dbraw/zinc/38/13/40/822381340.db2.gz LBZHBAITMIFSSI-YVEFUNNKSA-N 1 0 380.510 4.085 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1)c1ccc2c(c1)OCCO2 ZINC000178479605 822383484 /nfs/dbraw/zinc/38/34/84/822383484.db2.gz ZHQQWRJHUPOUNN-JXFKEZNVSA-N 1 0 380.488 4.387 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)c1cc(OC)c(OC)cc1F)c1ccc2c(c1)OCCO2 ZINC000178480885 822383600 /nfs/dbraw/zinc/38/36/00/822383600.db2.gz UORQAXAJIMXMJX-GUYCJALGSA-N 1 0 375.440 4.416 20 0 GIADRO CC(C)C(=O)Nc1ccc(C[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000178480777 822383748 /nfs/dbraw/zinc/38/37/48/822383748.db2.gz MPYBEMHIVMWSDY-KRWDZBQOSA-N 1 0 379.504 4.259 20 0 GIADRO CC[C@@H]([NH2+][C@H](C)c1cc(OC)c(OC)cc1F)c1ccc2c(c1)OCCO2 ZINC000178480914 822383800 /nfs/dbraw/zinc/38/38/00/822383800.db2.gz UORQAXAJIMXMJX-CXAGYDPISA-N 1 0 375.440 4.416 20 0 GIADRO C[C@H]([NH2+]CCNC(=O)c1ccco1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000178493150 822385068 /nfs/dbraw/zinc/38/50/68/822385068.db2.gz IEGDCXJWWMEOSV-INIZCTEOSA-N 1 0 382.435 4.078 20 0 GIADRO C[C@@H](NC(=O)N(Cc1ccc(F)cc1F)C1CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182882816 822385494 /nfs/dbraw/zinc/38/54/94/822385494.db2.gz LDRYODGOACECEM-HZPDHXFCSA-N 1 0 391.506 4.292 20 0 GIADRO O=C(Nc1ccccc1N1CCc2sccc2C1)NC1CC[NH+](C2CC2)CC1 ZINC000045410035 822385573 /nfs/dbraw/zinc/38/55/73/822385573.db2.gz FXIUMKXKRSOHKC-UHFFFAOYSA-N 1 0 396.560 4.059 20 0 GIADRO CC(C)c1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)cc1 ZINC000453570125 822385923 /nfs/dbraw/zinc/38/59/23/822385923.db2.gz CUYXRWOMOREAKF-ZHRRBRCNSA-N 1 0 393.531 4.175 20 0 GIADRO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1ccc(Br)cc1F ZINC000045416067 822386291 /nfs/dbraw/zinc/38/62/91/822386291.db2.gz FEKVQLACKZEBBD-CYBMUJFWSA-N 1 0 389.272 4.362 20 0 GIADRO Cc1cc(Br)c(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)s1 ZINC000453573951 822386386 /nfs/dbraw/zinc/38/63/86/822386386.db2.gz JFFGZBZOTXNCBF-HNNXBMFYSA-N 1 0 388.371 4.369 20 0 GIADRO COc1ccc(C[NH+]2CCC3(CC2)OCCc2ccccc23)cc1OC(F)F ZINC000453573115 822386430 /nfs/dbraw/zinc/38/64/30/822386430.db2.gz JFSHYLTXJZYATA-UHFFFAOYSA-N 1 0 389.442 4.361 20 0 GIADRO O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCCCN1CCCn1ccnc1 ZINC000182888098 822386574 /nfs/dbraw/zinc/38/65/74/822386574.db2.gz MPRXYJPGPKFYGR-QGZVFWFLSA-N 1 0 381.307 4.073 20 0 GIADRO Cc1ccc(NC(=O)C2CC2)cc1NC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182891771 822387228 /nfs/dbraw/zinc/38/72/28/822387228.db2.gz DYCWZHNCXJRYPH-SJLPKXTDSA-N 1 0 398.551 4.118 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1cccc(CSc2ccccn2)c1)c1cccnc1 ZINC000182891976 822387249 /nfs/dbraw/zinc/38/72/49/822387249.db2.gz QINWSYDWEDVCDY-MRXNPFEDSA-N 1 0 378.501 4.058 20 0 GIADRO CC[C@@H](SC)C(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000178521451 822387328 /nfs/dbraw/zinc/38/73/28/822387328.db2.gz GPMUBBSOAOJIOY-QGZVFWFLSA-N 1 0 388.499 4.270 20 0 GIADRO OC1CC[NH+](CCCN[C@H](Cc2ccc(F)cc2)c2ccccc2Cl)CC1 ZINC000178522775 822387626 /nfs/dbraw/zinc/38/76/26/822387626.db2.gz FWGBHJDLGCSWBS-JOCHJYFZSA-N 1 0 390.930 4.199 20 0 GIADRO CC(C)(CO)[C@H]([NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1)c1cccs1 ZINC000453581887 822387991 /nfs/dbraw/zinc/38/79/91/822387991.db2.gz VKPWNSRRPCBLER-GOSISDBHSA-N 1 0 375.925 4.437 20 0 GIADRO CC[C@H](NC(=O)NC1CC[NH+](CC(C)C)CC1)c1ccccc1OC(F)F ZINC000045463414 822388724 /nfs/dbraw/zinc/38/87/24/822388724.db2.gz WUGSEVMBOOTULY-KRWDZBQOSA-N 1 0 383.483 4.159 20 0 GIADRO CC(=O)N(c1nc(C[NH2+]C[C@@H]2CCOC(C)(C)C2)cs1)c1ccc(F)cc1 ZINC000453585790 822388737 /nfs/dbraw/zinc/38/87/37/822388737.db2.gz UDFKQUARJHNFFX-OAHLLOKOSA-N 1 0 391.512 4.262 20 0 GIADRO Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000178536605 822389414 /nfs/dbraw/zinc/38/94/14/822389414.db2.gz NIUHGDQJUHLUFL-RDJZCZTQSA-N 1 0 389.952 4.328 20 0 GIADRO Cc1cc(Br)c(C[NH2+][C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)s1 ZINC000453592432 822390140 /nfs/dbraw/zinc/39/01/40/822390140.db2.gz HWQUVLRGWYVGJZ-KGLIPLIRSA-N 1 0 385.371 4.090 20 0 GIADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]Cc1ccc([C@H](C)O)cc1 ZINC000178543545 822390160 /nfs/dbraw/zinc/39/01/60/822390160.db2.gz RNRPMNKWCYFBGZ-KGLIPLIRSA-N 1 0 391.309 4.009 20 0 GIADRO CCOCCC[N@@H+]1CC[C@H](NCc2sc(C)cc2Br)[C@@H](C)C1 ZINC000453592369 822390162 /nfs/dbraw/zinc/39/01/62/822390162.db2.gz RCXIXUNJVHOZKS-BBRMVZONSA-N 1 0 389.403 4.046 20 0 GIADRO CCOc1cc(C[N@H+](C)C2CCN(OC)CC2)ccc1OCc1ccccc1 ZINC000453599119 822391013 /nfs/dbraw/zinc/39/10/13/822391013.db2.gz BJXIVSKYALSGLX-UHFFFAOYSA-N 1 0 384.520 4.122 20 0 GIADRO CCOc1cc(CNc2ccc3c[nH+]ccc3c2)ccc1O[C@H](C)C(=O)N(C)C ZINC000453601180 822391233 /nfs/dbraw/zinc/39/12/33/822391233.db2.gz SXNGTVHUMMVMFG-MRXNPFEDSA-N 1 0 393.487 4.101 20 0 GIADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)C1 ZINC000178553438 822391406 /nfs/dbraw/zinc/39/14/06/822391406.db2.gz LIMDBZHVJBSLLQ-KRWDZBQOSA-N 1 0 389.540 4.131 20 0 GIADRO CCOc1ccc(OCC)c(NC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000182914937 822391877 /nfs/dbraw/zinc/39/18/77/822391877.db2.gz QBDMYRKGVCFWFC-SJORKVTESA-N 1 0 389.540 4.259 20 0 GIADRO Cc1nn(-c2cc[nH+]cc2)cc1CN1CCC[C@H]1c1ccc(Br)cn1 ZINC000453608368 822392326 /nfs/dbraw/zinc/39/23/26/822392326.db2.gz GVWIFPQZRTXTSJ-IBGZPJMESA-N 1 0 398.308 4.070 20 0 GIADRO OCC1([C@@H]([NH2+]Cc2cncc(Br)c2)c2ccccc2)CCCC1 ZINC000453610468 822392599 /nfs/dbraw/zinc/39/25/99/822392599.db2.gz HOTQEBIXSVNLST-SFHVURJKSA-N 1 0 375.310 4.228 20 0 GIADRO C[C@H](NC(=O)N(CCc1cccc(F)c1)C1CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182919387 822392762 /nfs/dbraw/zinc/39/27/62/822392762.db2.gz YUPZUPXZCRUOED-HKUYNNGSSA-N 1 0 387.543 4.195 20 0 GIADRO COc1ccccc1CN(C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C1CC1 ZINC000182924874 822393657 /nfs/dbraw/zinc/39/36/57/822393657.db2.gz GDWWDPQDVFCMDI-QZTJIDSGSA-N 1 0 385.552 4.022 20 0 GIADRO C[C@H]([NH2+]CCCN1CCOC1=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000178585686 822394232 /nfs/dbraw/zinc/39/42/32/822394232.db2.gz GBEJPVQAGULQSI-JTQLQIEISA-N 1 0 384.320 4.217 20 0 GIADRO COc1cc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCCC2)cc(OC)c1OC ZINC000453621159 822394529 /nfs/dbraw/zinc/39/45/29/822394529.db2.gz UDXOKPBMJANOPQ-QFIPXVFZSA-N 1 0 385.504 4.096 20 0 GIADRO C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000178594876 822394812 /nfs/dbraw/zinc/39/48/12/822394812.db2.gz YSSCHPULVBRWHL-YOEHRIQHSA-N 1 0 387.911 4.294 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)c1cc(Cl)c2c(c1)OCCO2)c1ccc2ccccc2n1 ZINC000178604809 822395718 /nfs/dbraw/zinc/39/57/18/822395718.db2.gz HDNWSHTYRXCRHJ-ORAYPTAESA-N 1 0 384.863 4.044 20 0 GIADRO CN(Cc1ccco1)C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000045567520 822395934 /nfs/dbraw/zinc/39/59/34/822395934.db2.gz IDKAZQIFQYLXOX-UHFFFAOYSA-N 1 0 377.488 4.350 20 0 GIADRO CCOc1cc(C[NH2+]C[C@@H]2CC[C@H](C)O2)cc(Br)c1OC(F)F ZINC000453635409 822396508 /nfs/dbraw/zinc/39/65/08/822396508.db2.gz UVSBMPPNKJJFMD-JQWIXIFHSA-N 1 0 394.256 4.106 20 0 GIADRO C[C@H](NC(=O)N1CCC[C@@H]1c1cccc(N(C)C)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182939989 822396572 /nfs/dbraw/zinc/39/65/72/822396572.db2.gz ITNNFIYJKDOYTB-GREBRCKQSA-N 1 0 398.595 4.252 20 0 GIADRO COc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@@H](C)c2cc(C)cc(C)c2)cc1OC ZINC000182947753 822398077 /nfs/dbraw/zinc/39/80/77/822398077.db2.gz DXVMXFIBVGTNRY-RXVVDRJESA-N 1 0 396.531 4.335 20 0 GIADRO OCC[C@@H](C[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1)c1ccccc1 ZINC000178656887 822400254 /nfs/dbraw/zinc/40/02/54/822400254.db2.gz ASCVOGSPPNAHCX-SFHVURJKSA-N 1 0 390.930 4.199 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H](C)Oc1cccc(C(C)C)c1 ZINC000045614729 822400378 /nfs/dbraw/zinc/40/03/78/822400378.db2.gz QIKTZUXETTVEHD-IBGZPJMESA-N 1 0 395.547 4.276 20 0 GIADRO Cc1cc2ccccc2c(NC(=O)C(=O)NC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000453691117 822401098 /nfs/dbraw/zinc/40/10/98/822401098.db2.gz IZODLVJNJLVXFA-UHFFFAOYSA-N 1 0 393.531 4.000 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CC(C)(C)N2CCc3ccccc3C2)cc1NC(C)=O ZINC000178682372 822402454 /nfs/dbraw/zinc/40/24/54/822402454.db2.gz ABFKPMILCXMPTK-KRWDZBQOSA-N 1 0 395.547 4.141 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)N2C[C@H](C)C[C@@H]2c2cccnc2)c1 ZINC000182976537 822402847 /nfs/dbraw/zinc/40/28/47/822402847.db2.gz QXRNBHQMMHNHBN-XMSQKQJNSA-N 1 0 380.536 4.216 20 0 GIADRO Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc(C(F)(F)F)cc3)CC2)nc(C)n1 ZINC000178694972 822403368 /nfs/dbraw/zinc/40/33/68/822403368.db2.gz NZZQMDNIRMAWPR-AWEZNQCLSA-N 1 0 378.442 4.432 20 0 GIADRO CCOc1cc(C[NH2+][C@H](C)c2cc(C)sc2C)nc2nc(C(F)(F)F)nn21 ZINC000182981097 822404140 /nfs/dbraw/zinc/40/41/40/822404140.db2.gz GSOIBQPSFQCTSY-SNVBAGLBSA-N 1 0 399.442 4.071 20 0 GIADRO Cc1c([C@H](C)[NH2+]Cc2ccc(-n3cncn3)cc2)cnn1-c1cc(C)ccc1C ZINC000178741799 822406514 /nfs/dbraw/zinc/40/65/14/822406514.db2.gz VIGUYDZGUYLALF-SFHVURJKSA-N 1 0 386.503 4.229 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(-n2cncn2)cc1)c1cc(Cl)ccc1OC(F)F ZINC000178743299 822406732 /nfs/dbraw/zinc/40/67/32/822406732.db2.gz FKMTWXKHOCRERJ-LBPRGKRZSA-N 1 0 378.810 4.373 20 0 GIADRO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+](C)C[C@H]2CCOC2)cc1 ZINC000178779049 822409176 /nfs/dbraw/zinc/40/91/76/822409176.db2.gz KFWGFAKMJWHLJW-GOSISDBHSA-N 1 0 377.488 4.016 20 0 GIADRO CCCOc1ccc([C@H](C)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)cc1 ZINC000183007658 822410437 /nfs/dbraw/zinc/41/04/37/822410437.db2.gz KSFAGKWQOUIKRD-HTAPYJJXSA-N 1 0 381.520 4.098 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@@H](C)c2ccc(OC[C@@H]3CCCCO3)c(F)c2)cnn1C ZINC000178800332 822411294 /nfs/dbraw/zinc/41/12/94/822411294.db2.gz LLMQMDCDSROCDQ-MPGHIAIKSA-N 1 0 375.488 4.227 20 0 GIADRO C[C@H]([NH3+])C1CCN(C(=O)c2sc(-c3ccco3)nc2-c2ccccc2)CC1 ZINC000178802228 822411684 /nfs/dbraw/zinc/41/16/84/822411684.db2.gz RGTKGEQZADAULT-AWEZNQCLSA-N 1 0 381.501 4.270 20 0 GIADRO Cc1ccc(C(=O)CCC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1C ZINC000045776182 822412450 /nfs/dbraw/zinc/41/24/50/822412450.db2.gz DZEQYFPDSCGAGC-QFIPXVFZSA-N 1 0 378.516 4.220 20 0 GIADRO C[C@H]([NH3+])C1CCN(C(=O)Cc2cccc(OCc3cccc(Cl)c3)c2)CC1 ZINC000178815879 822413178 /nfs/dbraw/zinc/41/31/78/822413178.db2.gz SUTSWCGQVLDNCF-INIZCTEOSA-N 1 0 386.923 4.047 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N(C)Cc1ccc(F)cc1F ZINC000045789612 822414006 /nfs/dbraw/zinc/41/40/06/822414006.db2.gz FMPSLFPHKRRTAW-UHFFFAOYSA-N 1 0 375.463 4.147 20 0 GIADRO C[NH+](C)CCOc1ccc(CNC(=O)Nc2ccc(SC(F)F)cc2)cc1 ZINC000045793973 822414436 /nfs/dbraw/zinc/41/44/36/822414436.db2.gz PMOULLGOSRFFKA-UHFFFAOYSA-N 1 0 395.475 4.263 20 0 GIADRO CCOc1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000045812743 822415624 /nfs/dbraw/zinc/41/56/24/822415624.db2.gz KODGOJMMWYLUQX-HZPDHXFCSA-N 1 0 395.503 4.112 20 0 GIADRO Cc1cc(OC[C@H](O)CN2CC[NH+](C3CCCC3)CC2)c(C(C)C)cc1Cl ZINC000045821758 822416772 /nfs/dbraw/zinc/41/67/72/822416772.db2.gz CJFSUYRPGQMVNE-LJQANCHMSA-N 1 0 394.987 4.072 20 0 GIADRO C[C@H]([NH3+])C1CCN(C(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)CC1 ZINC000178856880 822416930 /nfs/dbraw/zinc/41/69/30/822416930.db2.gz OMYSCKFOESANTR-ZDUSSCGKSA-N 1 0 393.409 4.092 20 0 GIADRO CCCOc1c(Cl)cc(C[NH2+]Cc2cccc(C(=O)NC)c2)cc1OCC ZINC000045822432 822416896 /nfs/dbraw/zinc/41/68/96/822416896.db2.gz KBFONCGJTJQMKX-UHFFFAOYSA-N 1 0 390.911 4.177 20 0 GIADRO C[NH+](C)CCOc1ccccc1CNC(=O)CC1CCC(C(F)(F)F)CC1 ZINC000183048635 822417589 /nfs/dbraw/zinc/41/75/89/822417589.db2.gz NQUSBLXKKFBVLH-UHFFFAOYSA-N 1 0 386.458 4.002 20 0 GIADRO CCOC(=O)C[C@H](C)N(C)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000183054572 822418165 /nfs/dbraw/zinc/41/81/65/822418165.db2.gz MZOCUHDVNUMIPE-KRWDZBQOSA-N 1 0 389.540 4.257 20 0 GIADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCC[C@H]2c2cccc(F)c2)CC1 ZINC000178887259 822419148 /nfs/dbraw/zinc/41/91/48/822419148.db2.gz NCHGTHQIMMVZRO-VGSWGCGISA-N 1 0 396.510 4.293 20 0 GIADRO COc1cc(-c2ccccc2)ccc1C[NH2+]Cc1ccccc1CS(C)(=O)=O ZINC000183067168 822419815 /nfs/dbraw/zinc/41/98/15/822419815.db2.gz UVJCJTXZZAHHDZ-UHFFFAOYSA-N 1 0 395.524 4.197 20 0 GIADRO CCc1nc(CN2CCC(CNC(=O)[C@H]3CCCC(C)(C)C3)CC2)cs1 ZINC000178905631 822420592 /nfs/dbraw/zinc/42/05/92/822420592.db2.gz QZXAFQFINWQEAH-KRWDZBQOSA-N 1 0 377.598 4.250 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)C(=O)Nc3cc(Cl)cc(Cl)c3)ccc21 ZINC000453976408 822420672 /nfs/dbraw/zinc/42/06/72/822420672.db2.gz IDTQPZUZFMJOCE-QGZVFWFLSA-N 1 0 392.286 4.120 20 0 GIADRO CCCN(C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1)[C@@H]1CC[NH2+]C1 ZINC000178923407 822422061 /nfs/dbraw/zinc/42/20/61/822422061.db2.gz JJJLFPLKIALUFI-CQSZACIVSA-N 1 0 383.439 4.043 20 0 GIADRO CCCN(C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)[C@@H]1CC[NH2+]C1 ZINC000178924105 822422150 /nfs/dbraw/zinc/42/21/50/822422150.db2.gz YNHMZGFITBEYIA-MRXNPFEDSA-N 1 0 393.409 4.107 20 0 GIADRO OCC1CC[NH+](Cc2cccc(N[C@@H]3CSCCc4ccccc43)c2)CC1 ZINC000183080864 822422264 /nfs/dbraw/zinc/42/22/64/822422264.db2.gz XCBKXBCXIJZGHA-HSZRJFAPSA-N 1 0 382.573 4.333 20 0 GIADRO C[C@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000178934123 822422754 /nfs/dbraw/zinc/42/27/54/822422754.db2.gz JZWYKEXTUVZSCK-HIFRSBDPSA-N 1 0 380.414 4.452 20 0 GIADRO CCN(CC)C(=O)[C@@H](c1ccccc1)[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000045914070 822423393 /nfs/dbraw/zinc/42/33/93/822423393.db2.gz VHHSKFZIQUAEEL-PKTZIBPZSA-N 1 0 380.532 4.042 20 0 GIADRO C[NH2+]C[C@H]1CCN(C(=O)CS[C@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000178965174 822424939 /nfs/dbraw/zinc/42/49/39/822424939.db2.gz GBDNVXYJNKPINI-IIBYNOLFSA-N 1 0 388.964 4.231 20 0 GIADRO C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)cc2)C1 ZINC000178964418 822425038 /nfs/dbraw/zinc/42/50/38/822425038.db2.gz RPVBJURHGGLLNW-IBGZPJMESA-N 1 0 380.532 4.245 20 0 GIADRO COc1ccc(C[C@H](C)C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cc1OC ZINC000183104598 822425067 /nfs/dbraw/zinc/42/50/67/822425067.db2.gz KMIKPQOBUZVEDN-KRWDZBQOSA-N 1 0 382.504 4.117 20 0 GIADRO COc1ccc(NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)cc1OC ZINC000045958093 822426904 /nfs/dbraw/zinc/42/69/04/822426904.db2.gz CPUFQAYGZVRPGI-QGZVFWFLSA-N 1 0 397.519 4.257 20 0 GIADRO O[C@@H](C[NH+]1CCC(OCc2ccccc2)CC1)c1ccccc1Br ZINC000178997954 822427937 /nfs/dbraw/zinc/42/79/37/822427937.db2.gz SFUMLKTWYLSJFW-FQEVSTJZSA-N 1 0 390.321 4.164 20 0 GIADRO C[C@H](C[NH2+]Cc1cc(Br)cc(C(F)(F)F)c1)Cn1ccnc1 ZINC000179000589 822428448 /nfs/dbraw/zinc/42/84/48/822428448.db2.gz VKUQJACLCXPNSM-LLVKDONJSA-N 1 0 376.220 4.090 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)[NH2+]CC(=O)N(Cc2ccccc2)C2CC2)cc1 ZINC000183140681 822429967 /nfs/dbraw/zinc/42/99/67/822429967.db2.gz SBBCZNZDLRBUGI-SFHVURJKSA-N 1 0 388.515 4.023 20 0 GIADRO C[S@](=O)C[C@H]([NH2+]Cc1ccc(C(=O)Nc2ccccc2)cc1)c1ccccc1 ZINC000183140973 822430031 /nfs/dbraw/zinc/43/00/31/822430031.db2.gz HHFHGEUVJXOXBR-DWACAAAGSA-N 1 0 392.524 4.148 20 0 GIADRO Cc1cc(CSc2ccccc2C(=O)NCC[C@H](C)[NH+]2CCCCC2)on1 ZINC000183142399 822430277 /nfs/dbraw/zinc/43/02/77/822430277.db2.gz UUSUWIXGMYOTGI-KRWDZBQOSA-N 1 0 387.549 4.270 20 0 GIADRO C[N@@H+](Cc1cccc2cnccc21)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000183142202 822430282 /nfs/dbraw/zinc/43/02/82/822430282.db2.gz MRRFISHWSYFVEK-QGZVFWFLSA-N 1 0 390.405 4.125 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)C[NH2+][C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000183145425 822430748 /nfs/dbraw/zinc/43/07/48/822430748.db2.gz MZFPPMJOVKPNIY-CQSZACIVSA-N 1 0 398.894 4.132 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000183145510 822431008 /nfs/dbraw/zinc/43/10/08/822431008.db2.gz NASRTQDREJRUMZ-ZIAGYGMSSA-N 1 0 384.430 4.137 20 0 GIADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)Nc2ccc3scnc3c2)CC1 ZINC000179027272 822431156 /nfs/dbraw/zinc/43/11/56/822431156.db2.gz YLMSADNPVYUWSD-AWEZNQCLSA-N 1 0 381.505 4.038 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000183150152 822431675 /nfs/dbraw/zinc/43/16/75/822431675.db2.gz FCALXBWBERGXRI-OAHLLOKOSA-N 1 0 382.895 4.432 20 0 GIADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)C2)C1 ZINC000454134903 822432366 /nfs/dbraw/zinc/43/23/66/822432366.db2.gz LWQSKHIZEPJTNK-MRXNPFEDSA-N 1 0 375.822 4.308 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]CC(=O)Nc2sc(C)c(C)c2C)cc1 ZINC000183157107 822433085 /nfs/dbraw/zinc/43/30/85/822433085.db2.gz QFUCJOPSNOSBPA-OAHLLOKOSA-N 1 0 382.533 4.457 20 0 GIADRO C[C@@H]([NH2+]C[C@H](O)c1ccccc1Br)c1ccccc1-n1cccn1 ZINC000183160279 822433458 /nfs/dbraw/zinc/43/34/58/822433458.db2.gz HQXIICHGVSQEJZ-KUHUBIRLSA-N 1 0 386.293 4.019 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N1CCC[C@@H]1c1ccc(F)cc1F ZINC000454151646 822433519 /nfs/dbraw/zinc/43/35/19/822433519.db2.gz NIPOBUNJIHXSRG-MOPGFXCFSA-N 1 0 389.446 4.241 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)NCc2cccc(OCC(F)(F)F)c2)c1 ZINC000046007960 822434001 /nfs/dbraw/zinc/43/40/01/822434001.db2.gz JJILABIMDDSRQH-UHFFFAOYSA-N 1 0 381.398 4.011 20 0 GIADRO Cc1nn(C)cc1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000179057143 822434147 /nfs/dbraw/zinc/43/41/47/822434147.db2.gz GUPNXOYFTNIALS-UHFFFAOYSA-N 1 0 375.451 4.010 20 0 GIADRO O=C1C[C@@H](C[NH2+]Cc2cnc(-c3cccs3)s2)CN1Cc1ccccc1 ZINC000179059501 822434234 /nfs/dbraw/zinc/43/42/34/822434234.db2.gz YXEJFMKHOQUECP-INIZCTEOSA-N 1 0 383.542 4.010 20 0 GIADRO CC[C@H]1c2ccsc2CCN1C(=O)C[NH2+][C@@H](C)c1ccccc1-n1cccn1 ZINC000183168349 822434730 /nfs/dbraw/zinc/43/47/30/822434730.db2.gz MHDDUHPVWMPXAU-LPHOPBHVSA-N 1 0 394.544 4.120 20 0 GIADRO CC[NH+]1CCN(Cc2ccc(N[C@H](C)c3ccc(OC)c(OC)c3)cc2)CC1 ZINC000183180284 822436580 /nfs/dbraw/zinc/43/65/80/822436580.db2.gz AVKUSQOOCJGBOI-GOSISDBHSA-N 1 0 383.536 4.014 20 0 GIADRO C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1csc(-c2cccc(Br)c2)n1 ZINC000179085636 822436680 /nfs/dbraw/zinc/43/66/80/822436680.db2.gz FTIKTIJCIFIKLW-BLLLJJGKSA-N 1 0 381.339 4.308 20 0 GIADRO C[N@H+](CCCCNC(=O)NCc1ccc(-c2nc3ccccc3s2)o1)C1CC1 ZINC000454194251 822437605 /nfs/dbraw/zinc/43/76/05/822437605.db2.gz NGWZYTNRHQKVLN-UHFFFAOYSA-N 1 0 398.532 4.230 20 0 GIADRO Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000183187853 822438120 /nfs/dbraw/zinc/43/81/20/822438120.db2.gz LKHGEASGEVSFQO-HNNXBMFYSA-N 1 0 394.441 4.183 20 0 GIADRO CN(C(=O)Nc1ccc(OC(F)F)cc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000454208669 822439098 /nfs/dbraw/zinc/43/90/98/822439098.db2.gz QGDOHPXDGRIBCI-UHFFFAOYSA-N 1 0 395.372 4.169 20 0 GIADRO CCOc1ccc([C@@H](C)NC(=O)C[NH2+][C@@H](c2ccccc2)C2CC2)cc1OC ZINC000179108689 822439136 /nfs/dbraw/zinc/43/91/36/822439136.db2.gz OILKZVDPKFULKM-MWTRTKDXSA-N 1 0 382.504 4.012 20 0 GIADRO C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000179118281 822440116 /nfs/dbraw/zinc/44/01/16/822440116.db2.gz NNQIWZDRNIWQSB-CVEARBPZSA-N 1 0 386.927 4.403 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)N(C)[C@H](C)c1cccs1 ZINC000046105430 822441362 /nfs/dbraw/zinc/44/13/62/822441362.db2.gz FLCKUQVVDUIGSS-QGZVFWFLSA-N 1 0 389.565 4.371 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)N(C)Cc1sccc1C ZINC000046105408 822441370 /nfs/dbraw/zinc/44/13/70/822441370.db2.gz BKMWCJXKXAOGDZ-UHFFFAOYSA-N 1 0 389.565 4.119 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)c2cccc(Br)c2Cl)cc1 ZINC000183210179 822442175 /nfs/dbraw/zinc/44/21/75/822442175.db2.gz GZDINVZRZGJJSA-UHFFFAOYSA-N 1 0 397.700 4.295 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)N1CCC[C@@H]1c1ccc(F)cc1F)c1ccsc1 ZINC000454237852 822442341 /nfs/dbraw/zinc/44/23/41/822442341.db2.gz LODUMUIPFRLMSF-MSOLQXFVSA-N 1 0 379.476 4.176 20 0 GIADRO C[C@@H]1C[C@H](c2cccnc2)N(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000183224101 822443966 /nfs/dbraw/zinc/44/39/66/822443966.db2.gz IVNJUZZNCSXCGY-AUSIDOKSSA-N 1 0 392.547 4.086 20 0 GIADRO C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000454255222 822444161 /nfs/dbraw/zinc/44/41/61/822444161.db2.gz VTKJIDFSHWQHAV-CRAIPNDOSA-N 1 0 383.458 4.155 20 0 GIADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)Nc3ccc(Br)cc3Cl)C2)C1 ZINC000454256078 822444357 /nfs/dbraw/zinc/44/43/57/822444357.db2.gz OVOMJETUFDDMJK-INIZCTEOSA-N 1 0 386.721 4.052 20 0 GIADRO COc1cccc([C@@H]2[C@@H](NC(=O)[C@@H](C)c3cccc(F)c3)CC[N@@H+]2C2CC2)c1 ZINC000183231534 822444790 /nfs/dbraw/zinc/44/47/90/822444790.db2.gz NQYHXLOYYLBFDY-UZQPLGKSSA-N 1 0 382.479 4.032 20 0 GIADRO O=C(Cc1csc2ccc(Cl)cc12)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000179158631 822445450 /nfs/dbraw/zinc/44/54/50/822445450.db2.gz FOSQSWPGLDZMNJ-UHFFFAOYSA-N 1 0 399.947 4.273 20 0 GIADRO COc1ccc(COCC(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000046156312 822445584 /nfs/dbraw/zinc/44/55/84/822445584.db2.gz REMVJHCKAMZEMP-GOSISDBHSA-N 1 0 382.504 4.082 20 0 GIADRO Cc1cc(NC(=O)CC[NH+]2CCC(Sc3ccc(Cl)cc3)CC2)no1 ZINC000179166859 822446450 /nfs/dbraw/zinc/44/64/50/822446450.db2.gz UHEOAGRVZKUEDB-UHFFFAOYSA-N 1 0 379.913 4.222 20 0 GIADRO CN1C(=O)CCc2cc(C(=O)Nc3ccc(C[NH+]4CCCCCC4)cc3)ccc21 ZINC000179172370 822447082 /nfs/dbraw/zinc/44/70/82/822447082.db2.gz DNRSVMQDBIFNBR-UHFFFAOYSA-N 1 0 391.515 4.224 20 0 GIADRO C[C@H]([NH2+]C[C@@H](c1cccs1)N1CCCC1)c1ncc(Br)s1 ZINC000179189054 822448883 /nfs/dbraw/zinc/44/88/83/822448883.db2.gz JYMSGAZJARQENX-RYUDHWBXSA-N 1 0 386.384 4.455 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2cnc3ccc(F)cc3c2)CC1 ZINC000179197281 822449475 /nfs/dbraw/zinc/44/94/75/822449475.db2.gz RYEVNZROBSYLSE-QGZVFWFLSA-N 1 0 383.511 4.491 20 0 GIADRO COc1cccc([C@@H]2[C@H](NC(=O)[C@@H](C)c3ccccc3F)CC[N@@H+]2C2CC2)c1 ZINC000183261437 822449977 /nfs/dbraw/zinc/44/99/77/822449977.db2.gz VMNOMBZXZOMQLD-ITEAAPOESA-N 1 0 382.479 4.032 20 0 GIADRO COc1ccc(OCc2ccccn2)c(C[N@H+](C)C[C@@H](C)c2nccs2)c1 ZINC000183262462 822450283 /nfs/dbraw/zinc/45/02/83/822450283.db2.gz KNVPTMMCEKLAKV-MRXNPFEDSA-N 1 0 383.517 4.361 20 0 GIADRO COc1ccc(OCc2ccccn2)c(C[N@H+](C)C[C@H](C)c2nccs2)c1 ZINC000183262443 822450320 /nfs/dbraw/zinc/45/03/20/822450320.db2.gz KNVPTMMCEKLAKV-INIZCTEOSA-N 1 0 383.517 4.361 20 0 GIADRO Cc1cc(F)ccc1[C@H]1CCCN1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000454282688 822450531 /nfs/dbraw/zinc/45/05/31/822450531.db2.gz VIESLEMNPPLWIW-JOCHJYFZSA-N 1 0 396.510 4.040 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCSCC2)c1)c1cnc2ccc(F)cc2c1 ZINC000179215346 822452553 /nfs/dbraw/zinc/45/25/53/822452553.db2.gz DJYLZAPIIJZREP-UHFFFAOYSA-N 1 0 381.476 4.175 20 0 GIADRO C[C@H]([NH2+]C[C@@H]1CCCN1Cc1ccccc1)c1ncc(Br)s1 ZINC000179230693 822454200 /nfs/dbraw/zinc/45/42/00/822454200.db2.gz PXFWEZJRFUAWDU-ZFWWWQNUSA-N 1 0 380.355 4.221 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCCN(c2cccc(F)c2)C1)c1ncc(Br)s1 ZINC000179231644 822454397 /nfs/dbraw/zinc/45/43/97/822454397.db2.gz LYXGHBXRQPVNEG-DGCLKSJQSA-N 1 0 384.318 4.364 20 0 GIADRO O=C(N[C@H](c1ccc(F)c(Cl)c1)C1CC1)NC1CC[NH+](CC2CC2)CC1 ZINC000454306648 822455319 /nfs/dbraw/zinc/45/53/19/822455319.db2.gz SUSQBDMGPHVXJB-IBGZPJMESA-N 1 0 379.907 4.104 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1)c1ncc(Br)s1 ZINC000179237731 822455831 /nfs/dbraw/zinc/45/58/31/822455831.db2.gz CCBHRROGDGLHIP-CMPLNLGQSA-N 1 0 386.746 4.489 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCN(c2cccc(Cl)c2)C1)c1ncc(Br)s1 ZINC000179237750 822455837 /nfs/dbraw/zinc/45/58/37/822455837.db2.gz CCBHRROGDGLHIP-PWSUYJOCSA-N 1 0 386.746 4.489 20 0 GIADRO CCCc1ncc(CNC(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)o1 ZINC000454315310 822456958 /nfs/dbraw/zinc/45/69/58/822456958.db2.gz HXXYLUNFMISQQJ-QZTJIDSGSA-N 1 0 398.551 4.104 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)N2CC[C@@H](C(F)(F)F)C[C@H]2C)CC1 ZINC000454326836 822458250 /nfs/dbraw/zinc/45/82/50/822458250.db2.gz YBWWMFVNCGREPV-SJLPKXTDSA-N 1 0 397.485 4.332 20 0 GIADRO CCc1nocc1CN(C)C(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000454332795 822459199 /nfs/dbraw/zinc/45/91/99/822459199.db2.gz VZJVUYRXPUPVLR-HDICACEKSA-N 1 0 398.551 4.057 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+][C@@H]2CCN(c3ccc(Cl)cc3)C2)s1 ZINC000183332157 822460082 /nfs/dbraw/zinc/46/00/82/822460082.db2.gz ZUZIKDGCBBSEGU-CZUORRHYSA-N 1 0 379.957 4.223 20 0 GIADRO C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1)c1cccc(N2CCOC2=O)c1 ZINC000183335404 822460518 /nfs/dbraw/zinc/46/05/18/822460518.db2.gz OGZGRXNAAZYNQL-YJBOKZPZSA-N 1 0 385.895 4.226 20 0 GIADRO CC(C)[NH+]1CCC(NC(=O)[C@H]2CC=CC[C@H]2c2nc3ccccc3s2)CC1 ZINC000046319931 822461142 /nfs/dbraw/zinc/46/11/42/822461142.db2.gz NJYMEEORZQGKSL-ZWKOTPCHSA-N 1 0 383.561 4.335 20 0 GIADRO CC(C)(C)c1nn(Cc2ccccc2)cc1CNC1CC[NH+](CC2CC2)CC1 ZINC000179287935 822461218 /nfs/dbraw/zinc/46/12/18/822461218.db2.gz SPMGKTKUKZVZMC-UHFFFAOYSA-N 1 0 380.580 4.193 20 0 GIADRO COC(=O)COc1ccccc1[C@@H](C)[NH2+]Cc1ccccc1OC1CCCC1 ZINC000183373565 822465503 /nfs/dbraw/zinc/46/55/03/822465503.db2.gz NJEQJDNDNJPERG-QGZVFWFLSA-N 1 0 383.488 4.411 20 0 GIADRO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)[NH2+][C@H](C)c1ccccn1 ZINC000183376437 822465751 /nfs/dbraw/zinc/46/57/51/822465751.db2.gz OBDYCPIFVFQBER-GXTWGEPZSA-N 1 0 389.521 4.005 20 0 GIADRO Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCC1(C)CC[NH2+]CC1 ZINC000183378244 822465957 /nfs/dbraw/zinc/46/59/57/822465957.db2.gz IATPWKKKXWWQQD-UHFFFAOYSA-N 1 0 382.291 4.076 20 0 GIADRO CC(C)n1cc(C[NH2+]CCCOc2ncc(C(F)(F)F)cc2Cl)cn1 ZINC000179324028 822466163 /nfs/dbraw/zinc/46/61/63/822466163.db2.gz JJPAPKFQDALBHD-UHFFFAOYSA-N 1 0 376.810 4.090 20 0 GIADRO Cc1nc2ccccc2n1CCC[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000183382301 822466354 /nfs/dbraw/zinc/46/63/54/822466354.db2.gz GHTCWVQDKOXWQF-GOSISDBHSA-N 1 0 386.540 4.114 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1ccc(F)cc1Br ZINC000046375134 822467189 /nfs/dbraw/zinc/46/71/89/822467189.db2.gz RXANMYPEYCOXIN-UHFFFAOYSA-N 1 0 391.284 4.114 20 0 GIADRO CC(C)c1c(C(=O)NCc2cccc(C[NH+](C)C)c2)cnn1-c1ccc(F)cc1 ZINC000046380560 822467533 /nfs/dbraw/zinc/46/75/33/822467533.db2.gz CJJHNHZEPAWTSM-UHFFFAOYSA-N 1 0 394.494 4.126 20 0 GIADRO O=C(CC[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1)Nc1ccccc1C(F)(F)F ZINC000183391454 822467666 /nfs/dbraw/zinc/46/76/66/822467666.db2.gz BTALGWOGTXBIIR-MRXNPFEDSA-N 1 0 396.384 4.326 20 0 GIADRO CC[C@@H](C)n1ncc(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)c1C1CC1 ZINC000179347219 822468863 /nfs/dbraw/zinc/46/88/63/822468863.db2.gz OBKBRMQACUQXJC-GOSISDBHSA-N 1 0 394.563 4.168 20 0 GIADRO Cc1csc([C@@H](C)CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000183407906 822469849 /nfs/dbraw/zinc/46/98/49/822469849.db2.gz RYNDETCUEZWNQC-FAXKSRBJSA-N 1 0 398.576 4.050 20 0 GIADRO Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)c1 ZINC000046404228 822470602 /nfs/dbraw/zinc/47/06/02/822470602.db2.gz SCNKOYYCXVILRI-UHFFFAOYSA-N 1 0 395.547 4.278 20 0 GIADRO C[C@@H]1C[C@H]1c1ccc(CCC(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)o1 ZINC000046404414 822470622 /nfs/dbraw/zinc/47/06/22/822470622.db2.gz MBHJADBNYWBEQR-DYESRHJHSA-N 1 0 381.520 4.116 20 0 GIADRO C[C@H]1C[C@@H]1c1ccc(CCC(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)o1 ZINC000046404413 822470633 /nfs/dbraw/zinc/47/06/33/822470633.db2.gz MBHJADBNYWBEQR-UWJYYQICSA-N 1 0 381.520 4.116 20 0 GIADRO C[N@@H+]1CCCN(c2ccc(NC(=O)CCSc3ccccc3F)cc2)CC1 ZINC000046404406 822470731 /nfs/dbraw/zinc/47/07/31/822470731.db2.gz NVHCKRMQTCXHIB-UHFFFAOYSA-N 1 0 387.524 4.089 20 0 GIADRO C[C@@H](c1nc2ccccc2s1)N(C)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000046426616 822472214 /nfs/dbraw/zinc/47/22/14/822472214.db2.gz BHGNUGLUTQWPBD-BBWFWOEESA-N 1 0 388.581 4.367 20 0 GIADRO COc1ccc(CN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c2cc(C)sc2C)cc1F ZINC000179370188 822472401 /nfs/dbraw/zinc/47/24/01/822472401.db2.gz LJVFIMUQHCRRRY-UONOGXRCSA-N 1 0 378.513 4.210 20 0 GIADRO CCOc1ccc(-c2nc(C(=O)N(C)C3CC[NH+](C(C)C)CC3)cs2)cc1 ZINC000046436191 822472879 /nfs/dbraw/zinc/47/28/79/822472879.db2.gz CAUNIRQXYBLWLJ-UHFFFAOYSA-N 1 0 387.549 4.154 20 0 GIADRO CCc1cccc2c(C3CCN(C(=O)c4c[nH+]ccc4N(C)C)CC3)c[nH]c21 ZINC000183436856 822474666 /nfs/dbraw/zinc/47/46/66/822474666.db2.gz VOZIFABAFYMTQZ-UHFFFAOYSA-N 1 0 376.504 4.211 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000179387880 822475284 /nfs/dbraw/zinc/47/52/84/822475284.db2.gz SZGFBJZUIYWMMM-UHFFFAOYSA-N 1 0 392.425 4.269 20 0 GIADRO O=C(c1c[nH]c2cccc(Br)c12)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000179397655 822476782 /nfs/dbraw/zinc/47/67/82/822476782.db2.gz LRVOVGLBDRYCRA-UHFFFAOYSA-N 1 0 390.325 4.021 20 0 GIADRO C[C@H]([NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1)c1ccccc1O ZINC000183450994 822476974 /nfs/dbraw/zinc/47/69/74/822476974.db2.gz VYVSLRJYKCHLFU-LSDHHAIUSA-N 1 0 375.310 4.332 20 0 GIADRO CC[C@H]([NH2+][C@H](C)c1ccc(OCC(=O)NC2CC2)cc1)c1cc(C)ccc1OC ZINC000179399812 822477362 /nfs/dbraw/zinc/47/73/62/822477362.db2.gz KACPUOSIVIIVGU-VGSWGCGISA-N 1 0 396.531 4.463 20 0 GIADRO CSCCc1ccc(NC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000183459036 822478172 /nfs/dbraw/zinc/47/81/72/822478172.db2.gz CQHRGGQUUKPSTD-SJLPKXTDSA-N 1 0 375.582 4.367 20 0 GIADRO CC[C@@H]([NH2+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1)c1cc(C)ccc1OC ZINC000179407251 822478405 /nfs/dbraw/zinc/47/84/05/822478405.db2.gz QYUKVQVEMYCGBX-IFMALSPDSA-N 1 0 382.504 4.362 20 0 GIADRO Fc1cc2cccnc2c(CN2CC[NH+](Cc3cccc4cccnc43)CC2)c1 ZINC000046509757 822479591 /nfs/dbraw/zinc/47/95/91/822479591.db2.gz ODSITTWITALVOI-UHFFFAOYSA-N 1 0 386.474 4.240 20 0 GIADRO Cc1cc2ncc([C@@H](C)[NH2+]C[C@@H](O)c3cc(Cl)cc(Cl)c3)c(C)n2n1 ZINC000179432675 822481783 /nfs/dbraw/zinc/48/17/83/822481783.db2.gz IURHYBUKONQJKQ-PIGZYNQJSA-N 1 0 379.291 4.037 20 0 GIADRO C[C@H](NC(=O)Nc1cc(Br)ccc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183479989 822482284 /nfs/dbraw/zinc/48/22/84/822482284.db2.gz DDPSFUQYZGIBBE-QWHCGFSZSA-N 1 0 398.320 4.363 20 0 GIADRO C/C(=C\c1ccc(Cl)cc1)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000179441074 822483392 /nfs/dbraw/zinc/48/33/92/822483392.db2.gz RSQBNLQYLDSXSE-SAPNQHFASA-N 1 0 398.934 4.016 20 0 GIADRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]CCCc2nc3c(s2)CCCC3)CC1 ZINC000183485523 822483637 /nfs/dbraw/zinc/48/36/37/822483637.db2.gz ZENGEHOISALZLF-MRXNPFEDSA-N 1 0 393.597 4.334 20 0 GIADRO COc1cc(F)c([C@H](C)[NH2+]CCCc2nc(-c3ccccc3)no2)cc1OC ZINC000183486339 822483776 /nfs/dbraw/zinc/48/37/76/822483776.db2.gz YONIHTOPPYACKL-AWEZNQCLSA-N 1 0 385.439 4.176 20 0 GIADRO COC(=O)c1ccc(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)cc1 ZINC000046539383 822483916 /nfs/dbraw/zinc/48/39/16/822483916.db2.gz RQECQNUARPUVBE-UHFFFAOYSA-N 1 0 380.488 4.490 20 0 GIADRO COC(=O)COc1ccccc1[C@H](C)[NH2+][C@@H]1CCOc2c(Cl)cccc21 ZINC000183491512 822484785 /nfs/dbraw/zinc/48/47/85/822484785.db2.gz LXNFZGGIAGUZNO-SUMWQHHRSA-N 1 0 375.852 4.066 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2cccc(-c3cccnc3)c2)C1)C(=O)OC(C)(C)C ZINC000179449835 822484957 /nfs/dbraw/zinc/48/49/57/822484957.db2.gz KMWLOALQDLXQCN-LJQANCHMSA-N 1 0 381.520 4.437 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2C[C@H](C)C[C@H]2c2cccnc2)CC1 ZINC000183492529 822485005 /nfs/dbraw/zinc/48/50/05/822485005.db2.gz NDNHQHRGZIMFCY-MSYCTHLASA-N 1 0 392.547 4.400 20 0 GIADRO Cc1cnc([C@@H](C)CNC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)s1 ZINC000183493625 822485254 /nfs/dbraw/zinc/48/52/54/822485254.db2.gz DPNSEWGOTHNJBZ-RDJZCZTQSA-N 1 0 386.565 4.080 20 0 GIADRO COc1ccc(NC(=O)C[C@H](C)[NH2+]CCc2coc(-c3ccc(F)cc3)n2)cc1 ZINC000179453994 822485232 /nfs/dbraw/zinc/48/52/32/822485232.db2.gz XPGJIAQQNWIMPL-HNNXBMFYSA-N 1 0 397.450 4.039 20 0 GIADRO C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000179455293 822485678 /nfs/dbraw/zinc/48/56/78/822485678.db2.gz VIGSCYONLNHIST-CQSZACIVSA-N 1 0 385.414 4.169 20 0 GIADRO CCc1nc2c(s1)[C@H](N(C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)CCC2 ZINC000179460850 822486049 /nfs/dbraw/zinc/48/60/49/822486049.db2.gz MLBOIUVUBDFQPM-YVWKXTFCSA-N 1 0 398.576 4.170 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)N1C[C@H](C)C[C@H]1c1cccnc1 ZINC000183501509 822486764 /nfs/dbraw/zinc/48/67/64/822486764.db2.gz UEHWLNUDIGHTFG-NQIIRXRSSA-N 1 0 396.535 4.417 20 0 GIADRO C[N@@H+]1CCC[C@H]1CCN1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000179469504 822487239 /nfs/dbraw/zinc/48/72/39/822487239.db2.gz FABRBAKACQTGSS-MAUKXSAKSA-N 1 0 384.351 4.271 20 0 GIADRO CC(C)[NH+]1CCC(N(C)C(=O)CCSc2ccccc2Br)CC1 ZINC000046574286 822487336 /nfs/dbraw/zinc/48/73/36/822487336.db2.gz JSYWFMLMWVSBJE-UHFFFAOYSA-N 1 0 399.398 4.263 20 0 GIADRO Cc1csc([C@@H]([NH2+]Cc2ccc(I)cc2)C2CC2)n1 ZINC000183507445 822487645 /nfs/dbraw/zinc/48/76/45/822487645.db2.gz ZBULOMKLLBJFAW-AWEZNQCLSA-N 1 0 384.286 4.297 20 0 GIADRO C[C@H](C[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1)c1nc(-c2ccccc2)no1 ZINC000179479624 822488808 /nfs/dbraw/zinc/48/88/08/822488808.db2.gz SPECQGUJBRVXCN-CVEARBPZSA-N 1 0 392.459 4.148 20 0 GIADRO C[C@H](NC(=O)Nc1cc(F)ccc1OC(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183520272 822489316 /nfs/dbraw/zinc/48/93/16/822489316.db2.gz CUSKHFHWSBGFQA-QWHCGFSZSA-N 1 0 385.430 4.202 20 0 GIADRO C[C@H]([NH2+]C[C@@H]1C[C@H](O)CN1Cc1ccccc1)[C@H](C)c1nc2ccccc2s1 ZINC000179485407 822489835 /nfs/dbraw/zinc/48/98/35/822489835.db2.gz QYEAICOTZYXSAC-ZULIPRJHSA-N 1 0 395.572 4.013 20 0 GIADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc(COc4ccccc4)cc3)CC[C@@H]21 ZINC000179487020 822490012 /nfs/dbraw/zinc/49/00/12/822490012.db2.gz WCIKDZHWBLAXHA-KNQAVFIVSA-N 1 0 379.504 4.214 20 0 GIADRO C[NH+](C)CCOc1ccccc1CN[C@H](c1ccccc1)c1ccc(F)cn1 ZINC000183526622 822490017 /nfs/dbraw/zinc/49/00/17/822490017.db2.gz JFFFNKXQDBTPLP-HSZRJFAPSA-N 1 0 379.479 4.040 20 0 GIADRO CCN(CC)[C@H](C[NH2+]C1CCN(c2nccs2)CC1)c1ccccc1Cl ZINC000183530867 822490711 /nfs/dbraw/zinc/49/07/11/822490711.db2.gz QVEFJXQLLQKQRB-LJQANCHMSA-N 1 0 393.000 4.438 20 0 GIADRO C[C@@H]([NH2+][C@H](CNC(=O)OC(C)(C)C)c1ccc2ccccc2c1)c1cnn(C)c1 ZINC000179495044 822490714 /nfs/dbraw/zinc/49/07/14/822490714.db2.gz PQHJDXWKZBJBPD-IIBYNOLFSA-N 1 0 394.519 4.490 20 0 GIADRO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000179497309 822491453 /nfs/dbraw/zinc/49/14/53/822491453.db2.gz DBRITCMYZGBAGX-WBVHZDCISA-N 1 0 392.421 4.285 20 0 GIADRO FC(F)(F)COc1ccc(C[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)cc1 ZINC000179498860 822491840 /nfs/dbraw/zinc/49/18/40/822491840.db2.gz LXHZLUMSHFPQHW-HNNXBMFYSA-N 1 0 380.414 4.003 20 0 GIADRO C[C@H](NC(=O)N1CCC([NH+]2CCCCC2)CC1)c1ccc(OC(F)F)cc1 ZINC000046611829 822492156 /nfs/dbraw/zinc/49/21/56/822492156.db2.gz UCKWKVXHRCKXKB-HNNXBMFYSA-N 1 0 381.467 4.009 20 0 GIADRO C[C@@H](NC(=O)N1CCC([NH+]2CCCCC2)CC1)c1ccc(OC(F)F)cc1 ZINC000046611831 822492193 /nfs/dbraw/zinc/49/21/93/822492193.db2.gz UCKWKVXHRCKXKB-OAHLLOKOSA-N 1 0 381.467 4.009 20 0 GIADRO C[C@H]([NH2+][C@@H]1c2ccccc2CC[C@@H]1C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000179505593 822492896 /nfs/dbraw/zinc/49/28/96/822492896.db2.gz MEGKFDBTNLKJJV-HOIFWPIMSA-N 1 0 384.545 4.201 20 0 GIADRO C[C@H](NCc1ccnc(OCC[NH+](C)C)c1)c1cc(F)c(Cl)cc1Cl ZINC000179509692 822493484 /nfs/dbraw/zinc/49/34/84/822493484.db2.gz FTKGYXMGWKTYIY-LBPRGKRZSA-N 1 0 386.298 4.319 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1cc(-c2ccccc2OC)on1)c1ccccc1 ZINC000046620503 822494077 /nfs/dbraw/zinc/49/40/77/822494077.db2.gz PKMWIJPXWMVNHE-HXUWFJFHSA-N 1 0 393.487 4.163 20 0 GIADRO Cc1ccc(OC(F)F)c([C@@H](C)[NH2+][C@H](C)Cn2ncc3ccccc3c2=O)c1 ZINC000179513736 822494174 /nfs/dbraw/zinc/49/41/74/822494174.db2.gz KXHFDBIVNAJMMR-HUUCEWRRSA-N 1 0 387.430 4.046 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)c2cc(-c3ccccc3OC)on2)c1 ZINC000046621381 822494247 /nfs/dbraw/zinc/49/42/47/822494247.db2.gz WGGVQCRRHFSVLV-UHFFFAOYSA-N 1 0 379.460 4.444 20 0 GIADRO Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000183556132 822494337 /nfs/dbraw/zinc/49/43/37/822494337.db2.gz NWGKIPZJAJUXQX-NHCUHLMSSA-N 1 0 395.551 4.019 20 0 GIADRO CCc1sc(C(=O)NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)cc1C ZINC000046623605 822494488 /nfs/dbraw/zinc/49/44/88/822494488.db2.gz TUNFDXGRZJJVIU-IRXDYDNUSA-N 1 0 386.561 4.158 20 0 GIADRO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000179515246 822494583 /nfs/dbraw/zinc/49/45/83/822494583.db2.gz BOAURKIFUUJYJR-DYESRHJHSA-N 1 0 389.499 4.211 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N1CCC[C@@]2(CCSC2)C1 ZINC000454545304 822494737 /nfs/dbraw/zinc/49/47/37/822494737.db2.gz DMFMGQNLZXROKK-JOCHJYFZSA-N 1 0 387.593 4.466 20 0 GIADRO c1ccc(-c2nc3ccccn3c2C[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)cc1 ZINC000179517454 822495318 /nfs/dbraw/zinc/49/53/18/822495318.db2.gz IBDUQDYVHDGLJM-LJQANCHMSA-N 1 0 398.514 4.376 20 0 GIADRO COc1ccc2cc([C@@H](C)[NH2+][C@@H](C)Cn3ncc4ccccc4c3=O)ccc2c1 ZINC000179517914 822495585 /nfs/dbraw/zinc/49/55/85/822495585.db2.gz PCBMWZIHPAVGHL-DLBZAZTESA-N 1 0 387.483 4.298 20 0 GIADRO CCn1nc(C)c(NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1C ZINC000179522948 822496609 /nfs/dbraw/zinc/49/66/09/822496609.db2.gz WUFZBCJRRJFVMN-OXQOHEQNSA-N 1 0 383.540 4.037 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1ccc([S@](C)=O)cc1 ZINC000179525104 822496945 /nfs/dbraw/zinc/49/69/45/822496945.db2.gz IMVYSJZYCCGGSK-SUXZAAGHSA-N 1 0 380.916 4.146 20 0 GIADRO C[C@@H]([NH2+]C[C@H](O)c1ccccc1Br)c1cccc(-n2cccn2)c1 ZINC000183590191 822498194 /nfs/dbraw/zinc/49/81/94/822498194.db2.gz HXRXXJHZDXJJEI-KUHUBIRLSA-N 1 0 386.293 4.019 20 0 GIADRO C[C@H](CCNC(=O)Nc1cccc(OCc2cscn2)c1)[NH+]1CCCCC1 ZINC000183595300 822498888 /nfs/dbraw/zinc/49/88/88/822498888.db2.gz KXEZBUQIZWXONH-MRXNPFEDSA-N 1 0 388.537 4.108 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(SC(=O)N(C)C)c1)c1cccc(-n2cccn2)c1 ZINC000183594558 822498973 /nfs/dbraw/zinc/49/89/73/822498973.db2.gz NHLLTDLPAOYDBH-INIZCTEOSA-N 1 0 380.517 4.497 20 0 GIADRO CCn1nc(C)c(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1C ZINC000179545992 822500856 /nfs/dbraw/zinc/50/08/56/822500856.db2.gz RHSLIKCURXAVCQ-RTWAWAEBSA-N 1 0 395.551 4.038 20 0 GIADRO CCC[C@@H]1C[C@H](C(=O)Nc2ccc(C[NH+]3CCSCC3)cc2C)CCO1 ZINC000183616338 822501690 /nfs/dbraw/zinc/50/16/90/822501690.db2.gz ZBBYUJOLCCKWOT-RTBURBONSA-N 1 0 376.566 4.078 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1cc2cc(Br)ccc2o1)c1cccs1 ZINC000046671210 822501815 /nfs/dbraw/zinc/50/18/15/822501815.db2.gz VKHUHEIRFZIJFX-CYBMUJFWSA-N 1 0 393.306 4.290 20 0 GIADRO O=C1CCCN1C[C@@H]([NH2+]Cc1ccccc1Oc1cccnc1)c1ccccc1 ZINC000179554260 822502622 /nfs/dbraw/zinc/50/26/22/822502622.db2.gz WJZFVUPAPLWMBX-JOCHJYFZSA-N 1 0 387.483 4.327 20 0 GIADRO O=C(N[C@H](CC1CCC1)c1ccccc1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000183642562 822505420 /nfs/dbraw/zinc/50/54/20/822505420.db2.gz RVACNBJESRRZBW-HSZRJFAPSA-N 1 0 399.579 4.204 20 0 GIADRO CCOc1ccc(NC(=O)NCCCCC[NH+]2CCCC2)c(C(F)(F)F)c1 ZINC000454610039 822505589 /nfs/dbraw/zinc/50/55/89/822505589.db2.gz RSCOTGINOWLEIA-UHFFFAOYSA-N 1 0 387.446 4.492 20 0 GIADRO COc1cc(C)c([C@@H](C)[NH2+][C@H](CC(C)C)C(=O)Nc2nccs2)cc1OC ZINC000179601464 822510690 /nfs/dbraw/zinc/51/06/90/822510690.db2.gz FKMHVRULMFBSDK-GDBMZVCRSA-N 1 0 391.537 4.173 20 0 GIADRO O=C(NCCCCC[NH+]1CCCC1)Nc1ccc2oc(C(F)(F)F)nc2c1 ZINC000454643383 822511189 /nfs/dbraw/zinc/51/11/89/822511189.db2.gz NVMIKQMUEYBVAU-UHFFFAOYSA-N 1 0 384.402 4.234 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1cccc2c1N=S=N2)c1ccc(OC(F)F)cc1 ZINC000179611744 822512649 /nfs/dbraw/zinc/51/26/49/822512649.db2.gz AEPJGVQVRFNWBM-JTQLQIEISA-N 1 0 378.404 4.304 20 0 GIADRO CC(C)[C@H]([NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1)c1ccccc1Cl ZINC000183693318 822512708 /nfs/dbraw/zinc/51/27/08/822512708.db2.gz UEIAQQLCTNREGK-IBGZPJMESA-N 1 0 376.287 4.488 20 0 GIADRO CC(C)c1ccc(CN(C)C(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)cc1 ZINC000179630156 822516055 /nfs/dbraw/zinc/51/60/55/822516055.db2.gz ASSGAIZDIACFQU-UHFFFAOYSA-N 1 0 394.559 4.287 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[NH2+][C@@H](C)c1cccc(C)c1C ZINC000183720796 822516399 /nfs/dbraw/zinc/51/63/99/822516399.db2.gz JLXKCMKLLMDSEP-KRWDZBQOSA-N 1 0 376.504 4.395 20 0 GIADRO CO[C@@H](C)c1cccc(NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000454684603 822516956 /nfs/dbraw/zinc/51/69/56/822516956.db2.gz QLVZPYVRDOCSMX-AWEZNQCLSA-N 1 0 387.446 4.275 20 0 GIADRO Cc1cccc([C@@H](C)[NH2+]CC(=O)Nc2cc3c(cc2Cl)OCCCO3)c1C ZINC000183726139 822517455 /nfs/dbraw/zinc/51/74/55/822517455.db2.gz CUGUTWSZWNRSMN-OAHLLOKOSA-N 1 0 388.895 4.407 20 0 GIADRO CC[C@H]([NH2+]Cc1ccc(N2CCOC2=O)cc1)c1ccc(OC(F)F)cc1 ZINC000183731641 822518134 /nfs/dbraw/zinc/51/81/34/822518134.db2.gz COFWBJSPWCETOT-SFHVURJKSA-N 1 0 376.403 4.486 20 0 GIADRO Cc1ccsc1CNC(=O)C[NH2+][C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000183739393 822519574 /nfs/dbraw/zinc/51/95/74/822519574.db2.gz XWGDFHMWWUSSAO-AWEZNQCLSA-N 1 0 385.558 4.455 20 0 GIADRO Cc1cccc([C@@H](C)[NH2+]CC(=O)N[C@H](c2nccs2)c2ccccc2)c1C ZINC000183740171 822520222 /nfs/dbraw/zinc/52/02/22/822520222.db2.gz QYTJSYNTRFZUKP-UTKZUKDTSA-N 1 0 379.529 4.316 20 0 GIADRO COc1ccc(C(=O)C2CC[NH+](Cc3cn(C)nc3-c3ccccc3)CC2)cc1 ZINC000179654012 822520882 /nfs/dbraw/zinc/52/08/82/822520882.db2.gz DNJOFDVKGHFMFY-UHFFFAOYSA-N 1 0 389.499 4.191 20 0 GIADRO Cc1cc(C[C@H](C)[NH2+]Cc2cncc(Br)c2)n(-c2ccccc2)n1 ZINC000183749754 822522068 /nfs/dbraw/zinc/52/20/68/822522068.db2.gz WKMTYGSYMRPOCC-AWEZNQCLSA-N 1 0 385.309 4.059 20 0 GIADRO CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000183751968 822522157 /nfs/dbraw/zinc/52/21/57/822522157.db2.gz VMWBTPWDGDZEOM-UYSNPLJNSA-N 1 0 377.472 4.197 20 0 GIADRO CCN(Cc1nnc(-c2ccc(Cl)cc2)o1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000183752190 822522423 /nfs/dbraw/zinc/52/24/23/822522423.db2.gz QZFJWCYUCKEDQZ-HXUWFJFHSA-N 1 0 396.922 4.486 20 0 GIADRO Cc1ccc(CN(C)C(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc1C ZINC000454717568 822522708 /nfs/dbraw/zinc/52/27/08/822522708.db2.gz OQPWLJRZMATVRR-IBGZPJMESA-N 1 0 380.536 4.065 20 0 GIADRO CCC(CC)n1nc(C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1C ZINC000179676288 822524963 /nfs/dbraw/zinc/52/49/63/822524963.db2.gz SQKLOQWPTVUJSJ-UZLBHIALSA-N 1 0 388.581 4.427 20 0 GIADRO Cc1noc(C)c1CSc1ccccc1C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000046857517 822524961 /nfs/dbraw/zinc/52/49/61/822524961.db2.gz FFIVPXCGTUUEEB-HNNXBMFYSA-N 1 0 387.549 4.188 20 0 GIADRO FC(F)Oc1ccc(C[N@H+](C[C@@H]2CCOC2)C2CC2)cc1Br ZINC000179678705 822525391 /nfs/dbraw/zinc/52/53/91/822525391.db2.gz KEBXFZUZHLJGEV-LBPRGKRZSA-N 1 0 376.241 4.051 20 0 GIADRO Cc1coc(-c2cccc(NC(=O)N[C@H](C)C[N@H+](C)Cc3ccccc3)c2)n1 ZINC000179682463 822526535 /nfs/dbraw/zinc/52/65/35/822526535.db2.gz WHLVANGXOOEYID-MRXNPFEDSA-N 1 0 378.476 4.292 20 0 GIADRO CCN(C(=O)C[NH2+][C@H](C)c1cccc(OCc2ccccn2)c1)c1ccccc1 ZINC000179684931 822526797 /nfs/dbraw/zinc/52/67/97/822526797.db2.gz KYUYSHNPXXESCO-LJQANCHMSA-N 1 0 389.499 4.364 20 0 GIADRO Cc1ccc(NCc2ccc3c(c2)CC(C)(C)O3)cc1NC(=O)CC[NH+](C)C ZINC000183777110 822526962 /nfs/dbraw/zinc/52/69/62/822526962.db2.gz MEIDKOMFFBCZDG-UHFFFAOYSA-N 1 0 381.520 4.211 20 0 GIADRO COc1cc(CNc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)ccc1OC(C)C ZINC000183777232 822527021 /nfs/dbraw/zinc/52/70/21/822527021.db2.gz BEJDKFLYVMLJCE-UHFFFAOYSA-N 1 0 399.535 4.293 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1cc(F)cc(F)c1)c1cccc(OCc2ccccn2)c1 ZINC000179686825 822527408 /nfs/dbraw/zinc/52/74/08/822527408.db2.gz ULPOKTQTRHKLHZ-HNNXBMFYSA-N 1 0 397.425 4.228 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1cc(F)cc(F)c1)c1cccc(OCc2ccccn2)c1 ZINC000179686838 822527456 /nfs/dbraw/zinc/52/74/56/822527456.db2.gz ULPOKTQTRHKLHZ-OAHLLOKOSA-N 1 0 397.425 4.228 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1F)c1cccc(OCc2ccccn2)c1 ZINC000179690213 822528195 /nfs/dbraw/zinc/52/81/95/822528195.db2.gz DBPXZMRYWWRYTJ-OYHNWAKOSA-N 1 0 384.426 4.323 20 0 GIADRO Cc1cccc(COc2ccc(NC(=O)N3C[C@H]4CC[N@@H+](C)[C@H]4C3)c(C)c2)c1 ZINC000454752511 822528393 /nfs/dbraw/zinc/52/83/93/822528393.db2.gz ZVDMFIFVGIJOTL-KNQAVFIVSA-N 1 0 379.504 4.050 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)c1c(F)cccc1F)c1cccc(OCc2ccccn2)c1 ZINC000179694745 822528990 /nfs/dbraw/zinc/52/89/90/822528990.db2.gz JJASTHIJDZIKOP-BTYIYWSLSA-N 1 0 384.426 4.323 20 0 GIADRO CC[C@H](C)[N@H+](Cc1ccccc1)Cc1cc(Cl)c(OCC(N)=O)c(OC)c1 ZINC000179695137 822529348 /nfs/dbraw/zinc/52/93/48/822529348.db2.gz HWWWLOAXTPVSBF-HNNXBMFYSA-N 1 0 390.911 4.013 20 0 GIADRO O=C(NCCc1cccs1)C1CC[NH+](C/C=C/c2ccc(Cl)cc2)CC1 ZINC000179695854 822529477 /nfs/dbraw/zinc/52/94/77/822529477.db2.gz CACYLTISASQOTL-HNQUOIGGSA-N 1 0 388.964 4.486 20 0 GIADRO Cc1cc(Cl)cc(C[NH+]2CCC(C(=O)NCc3ccc(F)cc3)CC2)c1O ZINC000179700543 822530452 /nfs/dbraw/zinc/53/04/52/822530452.db2.gz VDSBECNYVIHOAI-UHFFFAOYSA-N 1 0 390.886 4.022 20 0 GIADRO Cc1c(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cnn1-c1ccccc1C ZINC000046917627 822530562 /nfs/dbraw/zinc/53/05/62/822530562.db2.gz GNGGNIRKGPNFIM-QHCPKHFHSA-N 1 0 388.515 4.056 20 0 GIADRO CCOc1ccc([C@@H]2CCCN2C(=O)NCc2cccc(C[NH+](C)C)c2)cc1 ZINC000046926742 822531673 /nfs/dbraw/zinc/53/16/73/822531673.db2.gz YUDGORITWPWGJG-QFIPXVFZSA-N 1 0 381.520 4.194 20 0 GIADRO COc1cc([C@H](C)[NH2+]CC2(O)CCC(C)CC2)ccc1OCc1ccncc1 ZINC000179706274 822531800 /nfs/dbraw/zinc/53/18/00/822531800.db2.gz YNVNFYSYLVCGEI-OTQYULQBSA-N 1 0 384.520 4.261 20 0 GIADRO C[NH+]1CCN(Cc2ccc(NC(=O)CCCC[C@H]3CCSS3)cc2)CC1 ZINC000046934050 822532343 /nfs/dbraw/zinc/53/23/43/822532343.db2.gz TUZWBRUCNZSUOO-IBGZPJMESA-N 1 0 393.622 4.087 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cc(=O)c4ccccc4o3)cc2)C1 ZINC000046934304 822532415 /nfs/dbraw/zinc/53/24/15/822532415.db2.gz ZVGPURBYRUFIAD-MRXNPFEDSA-N 1 0 376.456 4.277 20 0 GIADRO CC(=O)N/C(=C/c1ccccc1)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000046934332 822532515 /nfs/dbraw/zinc/53/25/15/822532515.db2.gz NKCCFLQKHHIIHM-FSTGKYBXSA-N 1 0 391.515 4.034 20 0 GIADRO COc1cc(OC)c(C(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1OC ZINC000046934519 822532535 /nfs/dbraw/zinc/53/25/35/822532535.db2.gz PXKHPFNZPLWXAN-INIZCTEOSA-N 1 0 398.503 4.197 20 0 GIADRO CC(=O)N/C(=C\c1ccccc1)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000046934333 822532579 /nfs/dbraw/zinc/53/25/79/822532579.db2.gz NKCCFLQKHHIIHM-JYBCESJWSA-N 1 0 391.515 4.034 20 0 GIADRO CC(C)c1ccc(-c2noc(CCC(=O)NC[C@H](C)[N@@H+]3CCC[C@@H](C)C3)n2)cc1 ZINC000046952581 822533696 /nfs/dbraw/zinc/53/36/96/822533696.db2.gz NEJIZNRHOARSOB-MSOLQXFVSA-N 1 0 398.551 4.029 20 0 GIADRO CC(C)C[C@H]([NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000179719058 822534474 /nfs/dbraw/zinc/53/44/74/822534474.db2.gz DBFUTQAUIXBLDO-PMACEKPBSA-N 1 0 395.952 4.154 20 0 GIADRO CC[C@H]([NH2+]CC(=O)N1CCC[C@@H](C(F)(F)F)C1)c1ccccc1OC(F)F ZINC000179722201 822535127 /nfs/dbraw/zinc/53/51/27/822535127.db2.gz JUTQUMOJSYAPJT-OCCSQVGLSA-N 1 0 394.384 4.130 20 0 GIADRO CC[C@H]([NH2+]CC(=O)N1CCC[C@H](C(F)(F)F)C1)c1ccccc1OC(F)F ZINC000179722173 822535166 /nfs/dbraw/zinc/53/51/66/822535166.db2.gz JUTQUMOJSYAPJT-JSGCOSHPSA-N 1 0 394.384 4.130 20 0 GIADRO CCCN(CCc1cccs1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000183851279 822535866 /nfs/dbraw/zinc/53/58/66/822535866.db2.gz UANXAFWPOXKLRP-UHFFFAOYSA-N 1 0 385.577 4.377 20 0 GIADRO Cc1ccc(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)cc1NC(=O)c1ccco1 ZINC000046988525 822536045 /nfs/dbraw/zinc/53/60/45/822536045.db2.gz ODYLRRATLAYRAB-GOSISDBHSA-N 1 0 397.519 4.225 20 0 GIADRO Cc1ccc(-c2cnc(CCC(=O)NCCCC[N@H+]3CCC[C@H](C)C3)o2)cc1 ZINC000046991761 822536238 /nfs/dbraw/zinc/53/62/38/822536238.db2.gz ZMAHGGPBUZKLEU-IBGZPJMESA-N 1 0 383.536 4.211 20 0 GIADRO COC(=O)COc1ccccc1[C@@H](C)[NH2+][C@H]1CCCOc2cc(Cl)ccc21 ZINC000183855012 822536337 /nfs/dbraw/zinc/53/63/37/822536337.db2.gz MAZRBFMVEIWEMS-KDOFPFPSSA-N 1 0 389.879 4.456 20 0 GIADRO CC1([C@H]2CCC[N@H+](Cc3csc(Cc4ccc(Cl)cc4)n3)C2)OCCO1 ZINC000183857854 822536883 /nfs/dbraw/zinc/53/68/83/822536883.db2.gz WXYAWYLGKGLCSX-INIZCTEOSA-N 1 0 392.952 4.362 20 0 GIADRO Cc1sc(NC(=O)C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)c(C)c1C ZINC000179732275 822537474 /nfs/dbraw/zinc/53/74/74/822537474.db2.gz WCEMDHGRHMUNLO-HXUWFJFHSA-N 1 0 386.517 4.124 20 0 GIADRO CC1([C@@H]2CCC[N@H+](Cc3coc(-c4ccc(C(F)(F)F)cc4)n3)C2)OCCO1 ZINC000183865559 822537921 /nfs/dbraw/zinc/53/79/21/822537921.db2.gz JMPATPQGSSAWSK-MRXNPFEDSA-N 1 0 396.409 4.335 20 0 GIADRO Cc1ccc(NC(=O)C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)c(Cl)c1 ZINC000179736581 822538959 /nfs/dbraw/zinc/53/89/59/822538959.db2.gz KGHGIQBGQOVSHJ-OAQYLSRUSA-N 1 0 386.879 4.099 20 0 GIADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[NH2+][C@H](CCCO)c1ccccc1 ZINC000179737080 822538965 /nfs/dbraw/zinc/53/89/65/822538965.db2.gz ZJWNOPYRBJVEHI-LJQANCHMSA-N 1 0 395.330 4.055 20 0 GIADRO CCc1ccc2c(C[NH2+][C@H](c3ccc4c(c3)OCCO4)C3CC3)cc(=O)oc2c1 ZINC000179736684 822539018 /nfs/dbraw/zinc/53/90/18/822539018.db2.gz BOBKCJAFHPCANC-DEOSSOPVSA-N 1 0 391.467 4.368 20 0 GIADRO Cc1oc(-c2ccccc2)nc1CC(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000047037817 822539078 /nfs/dbraw/zinc/53/90/78/822539078.db2.gz CEIARHOMJREPPI-ROUUACIJSA-N 1 0 383.536 4.067 20 0 GIADRO C[C@@H](NC(=O)C[NH2+][C@H](CCCO)c1ccccc1)c1ccc2ccccc2c1 ZINC000179738343 822539365 /nfs/dbraw/zinc/53/93/65/822539365.db2.gz BMIDYTYBPOORSH-WZONZLPQSA-N 1 0 376.500 4.120 20 0 GIADRO CC1([C@@H]2CCC[N@H+](CCC(=O)Nc3ccccc3-c3ccccc3)C2)OCCO1 ZINC000183887031 822540837 /nfs/dbraw/zinc/54/08/37/822540837.db2.gz ZPAYZFCFWNCZMS-HXUWFJFHSA-N 1 0 394.515 4.157 20 0 GIADRO C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000179743139 822540943 /nfs/dbraw/zinc/54/09/43/822540943.db2.gz YTGOTYRVIFESGI-VGOFRKELSA-N 1 0 396.510 4.230 20 0 GIADRO CCOc1ccccc1[C@H](CC)[NH2+][C@@H](C)C(=O)Nc1cc(OC)ccc1OC ZINC000179743681 822541165 /nfs/dbraw/zinc/54/11/65/822541165.db2.gz FTIZGFSPPUZNQV-YJBOKZPZSA-N 1 0 386.492 4.170 20 0 GIADRO C[C@@H]1CCN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)[C@@H]1c1cccc(F)c1 ZINC000179744951 822541479 /nfs/dbraw/zinc/54/14/79/822541479.db2.gz ZVOBZTQKCACUTC-VGSWGCGISA-N 1 0 396.510 4.230 20 0 GIADRO CC[C@H]1CN(C(=O)Nc2cccc(NC(C)=O)c2C)CC[N@@H+]1Cc1ccccc1 ZINC000183901194 822542953 /nfs/dbraw/zinc/54/29/53/822542953.db2.gz LRBFKYYZBAQBKA-FQEVSTJZSA-N 1 0 394.519 4.082 20 0 GIADRO C[N@H+](CCCCNC(=O)Nc1cc(F)ccc1SCC(F)F)C1CC1 ZINC000454835582 822543065 /nfs/dbraw/zinc/54/30/65/822543065.db2.gz OSKXWQBNKHBMHR-UHFFFAOYSA-N 1 0 375.460 4.179 20 0 GIADRO CCc1noc(C2CCC([NH2+]CCc3nc(-c4ccccn4)cs3)CC2)n1 ZINC000183903631 822543553 /nfs/dbraw/zinc/54/35/53/822543553.db2.gz YVYFHNRAVVSCBT-UHFFFAOYSA-N 1 0 383.521 4.009 20 0 GIADRO O=C(N[C@@H](c1cccs1)c1ccc(Cl)cc1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000047103789 822544782 /nfs/dbraw/zinc/54/47/82/822544782.db2.gz ZPUASUVZOFOPPA-YQVWRLOYSA-N 1 0 389.952 4.417 20 0 GIADRO C[C@H]1CCc2c(F)cccc2[C@@H]1Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000179760710 822545403 /nfs/dbraw/zinc/54/54/03/822545403.db2.gz MOOMFMKUNNKQHO-QMHKHESXSA-N 1 0 395.522 4.259 20 0 GIADRO CN(C)C(=O)Sc1ccc(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)cc1 ZINC000179760634 822545408 /nfs/dbraw/zinc/54/54/08/822545408.db2.gz GBOUDPFURWKUDZ-OAQYLSRUSA-N 1 0 398.528 4.472 20 0 GIADRO C[C@@H](Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)C(C)(C)c1ccccc1 ZINC000179762072 822545856 /nfs/dbraw/zinc/54/58/56/822545856.db2.gz DARUKGCJHXPPTR-GOSISDBHSA-N 1 0 379.548 4.162 20 0 GIADRO C[C@H](Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)C(C)(C)c1ccccc1 ZINC000179762060 822545891 /nfs/dbraw/zinc/54/58/91/822545891.db2.gz DARUKGCJHXPPTR-SFHVURJKSA-N 1 0 379.548 4.162 20 0 GIADRO CC[C@@H](C)[NH+]1CCN(C(=O)Nc2ccc(COCc3ccccc3)cc2)CC1 ZINC000454857132 822546831 /nfs/dbraw/zinc/54/68/31/822546831.db2.gz KOMJMJDINJPKOL-LJQANCHMSA-N 1 0 381.520 4.351 20 0 GIADRO CC[C@H](C)[NH+]1CCN(C(=O)Nc2ccc(COCc3ccccc3)cc2)CC1 ZINC000454857130 822546855 /nfs/dbraw/zinc/54/68/55/822546855.db2.gz KOMJMJDINJPKOL-IBGZPJMESA-N 1 0 381.520 4.351 20 0 GIADRO O=C(Nc1ccc2c(c1)OCO2)C1CC[NH+](Cc2ccc(C(F)F)cc2)CC1 ZINC000183921329 822546933 /nfs/dbraw/zinc/54/69/33/822546933.db2.gz ZMBQQGBUBSKBTK-UHFFFAOYSA-N 1 0 388.414 4.204 20 0 GIADRO FC(F)n1c(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)nc2ccccc21 ZINC000179767670 822548258 /nfs/dbraw/zinc/54/82/58/822548258.db2.gz VGDYKIFLXXDQKU-FQEVSTJZSA-N 1 0 385.414 4.444 20 0 GIADRO CCCOc1ccc([C@@H](C)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)cc1 ZINC000179768179 822548429 /nfs/dbraw/zinc/54/84/29/822548429.db2.gz PSUGSQJQPOCWCD-GOSISDBHSA-N 1 0 395.547 4.346 20 0 GIADRO CSc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1 ZINC000179775416 822550419 /nfs/dbraw/zinc/55/04/19/822550419.db2.gz QUCVQCFCZPFECR-CQSZACIVSA-N 1 0 383.517 4.046 20 0 GIADRO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC2c3ccccc3-c3ccccc32)c1 ZINC000183937919 822550434 /nfs/dbraw/zinc/55/04/34/822550434.db2.gz LTJRRABPHYYBLG-HSZRJFAPSA-N 1 0 383.495 4.318 20 0 GIADRO C[C@H](C[N@H+](C)CCC(=O)NC(c1ccccc1)c1ccccc1)c1nccs1 ZINC000183939178 822550788 /nfs/dbraw/zinc/55/07/88/822550788.db2.gz JMPRHSDRLDKVBY-GOSISDBHSA-N 1 0 393.556 4.474 20 0 GIADRO CCO[C@@H]1C[C@H](Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)C12CCC2 ZINC000179782171 822551973 /nfs/dbraw/zinc/55/19/73/822551973.db2.gz LJBUHQCAMJTLKC-LEWJYISDSA-N 1 0 375.532 4.116 20 0 GIADRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2cccc(NC(=O)c3cccs3)c2)C1 ZINC000047187874 822552515 /nfs/dbraw/zinc/55/25/15/822552515.db2.gz BCENBIQVBUWFGH-KRWDZBQOSA-N 1 0 399.560 4.242 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)cc1 ZINC000047190813 822552775 /nfs/dbraw/zinc/55/27/75/822552775.db2.gz DXLOJNSFUNDBHJ-OXQOHEQNSA-N 1 0 377.488 4.126 20 0 GIADRO O=C(Cc1cccc(F)c1)N1CCC[N@@H+](Cc2ccc(C(F)F)cc2)CC1 ZINC000183955524 822553658 /nfs/dbraw/zinc/55/36/58/822553658.db2.gz ACDYHANPCKKOML-UHFFFAOYSA-N 1 0 376.422 4.040 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CC2(c3ccccc3OC)CCC2)cc1NC(C)=O ZINC000183957137 822553841 /nfs/dbraw/zinc/55/38/41/822553841.db2.gz DPXARXSEJSSJSM-MRXNPFEDSA-N 1 0 382.504 4.435 20 0 GIADRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@H]1CCCC1(F)F ZINC000454920545 822557083 /nfs/dbraw/zinc/55/70/83/822557083.db2.gz KUPLTTWDODHRRY-QZTJIDSGSA-N 1 0 379.495 4.022 20 0 GIADRO CC(C)[NH2+]C1CCN(C(=O)Nc2ccc(-n3ncc4ccccc43)cc2)CC1 ZINC000183979046 822557416 /nfs/dbraw/zinc/55/74/16/822557416.db2.gz OVQGEETUYLWAFY-UHFFFAOYSA-N 1 0 377.492 4.020 20 0 GIADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCC[C@@H]1CCCCO1 ZINC000183986939 822558498 /nfs/dbraw/zinc/55/84/98/822558498.db2.gz FRGLPARYUDZYPL-PBHICJAKSA-N 1 0 383.330 4.105 20 0 GIADRO Cc1cc([C@H]2CCC[N@@H+]2C[C@H](O)COc2ccc(-c3ccccc3)cc2)on1 ZINC000047273709 822560770 /nfs/dbraw/zinc/56/07/70/822560770.db2.gz RHVNCKROWTYBPP-RBBKRZOGSA-N 1 0 378.472 4.227 20 0 GIADRO Cc1nn(C)c2nc(C)cc(C(=O)Nc3ccc(C[N@H+]4CCC[C@H](C)C4)cc3)c12 ZINC000047283514 822561899 /nfs/dbraw/zinc/56/18/99/822561899.db2.gz LNVCIAZONUSAGH-HNNXBMFYSA-N 1 0 391.519 4.069 20 0 GIADRO CCC[C@H]1CN(C(=O)Nc2c(C)nn(CC)c2C)CC[N@@H+]1Cc1ccccc1 ZINC000179831188 822562035 /nfs/dbraw/zinc/56/20/35/822562035.db2.gz NEVDBKXNEXFTPP-FQEVSTJZSA-N 1 0 383.540 4.038 20 0 GIADRO Cc1c([C@@H](C)[NH2+]CCc2ccnn2C)cnn1-c1ccc(Cl)cc1Cl ZINC000184010812 822563287 /nfs/dbraw/zinc/56/32/87/822563287.db2.gz NSKOBCOCIXSUDT-GFCCVEGCSA-N 1 0 378.307 4.114 20 0 GIADRO COc1cc(OC)c(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000047304110 822563657 /nfs/dbraw/zinc/56/36/57/822563657.db2.gz ATUWWPRXQPYAMC-UHFFFAOYSA-N 1 0 388.895 4.208 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1[nH]c2ccccc2c1Br)c1ccsc1 ZINC000047305389 822563899 /nfs/dbraw/zinc/56/38/99/822563899.db2.gz FBRXHZWBQVUBJH-CQSZACIVSA-N 1 0 392.322 4.025 20 0 GIADRO Cc1cc2c(o1)CC(C)(C)C[C@H]2[NH2+]Cc1c(C)nn(CC(=O)OC(C)C)c1C ZINC000179843126 822564728 /nfs/dbraw/zinc/56/47/28/822564728.db2.gz XYYMIRIGWXMMPL-LJQANCHMSA-N 1 0 387.524 4.156 20 0 GIADRO CC1(C)CN(C(=O)NCCCCF)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000454982108 822565972 /nfs/dbraw/zinc/56/59/72/822565972.db2.gz NNPBINNHBNJNMR-HXUWFJFHSA-N 1 0 375.532 4.068 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000047325468 822566500 /nfs/dbraw/zinc/56/65/00/822566500.db2.gz VCOUMTDIOFZVCZ-UHFFFAOYSA-N 1 0 391.874 4.274 20 0 GIADRO O=C([C@@H]1C[C@H]1c1cccc(Br)c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000454993548 822567409 /nfs/dbraw/zinc/56/74/09/822567409.db2.gz BJQFDKVONBKBLC-RBUKOAKNSA-N 1 0 391.353 4.030 20 0 GIADRO O=C(Nc1ccc(F)cc1Cl)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000047335210 822567680 /nfs/dbraw/zinc/56/76/80/822567680.db2.gz OYTXLNQJZRVDMP-UHFFFAOYSA-N 1 0 379.838 4.404 20 0 GIADRO Cc1cccc(C)c1NC(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000047347101 822569538 /nfs/dbraw/zinc/56/95/38/822569538.db2.gz UNRSCCDOSWPABO-UHFFFAOYSA-N 1 0 380.536 4.027 20 0 GIADRO Cc1nc(C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)c(-c2ccccc2)o1 ZINC000184064663 822573330 /nfs/dbraw/zinc/57/33/30/822573330.db2.gz WYYQYTPSVOWHOY-UHFFFAOYSA-N 1 0 390.487 4.044 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)Nc2nc(C(F)(F)F)cs2)c1 ZINC000047387513 822573543 /nfs/dbraw/zinc/57/35/43/822573543.db2.gz UDMFSFVOWBAGAE-UHFFFAOYSA-N 1 0 386.443 4.325 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)CC1 ZINC000184071133 822574074 /nfs/dbraw/zinc/57/40/74/822574074.db2.gz UNCPMDWTROSPAK-RBUKOAKNSA-N 1 0 378.507 4.429 20 0 GIADRO Cc1c2ccccc2oc1[C@@H](C)NC(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000047392956 822574081 /nfs/dbraw/zinc/57/40/81/822574081.db2.gz SFPBUWGDIKVMTC-QGZVFWFLSA-N 1 0 392.503 4.376 20 0 GIADRO COCC[NH+]1CCC(NC(=O)c2cc(-c3ccccc3C)ccc2Cl)CC1 ZINC000455028129 822574338 /nfs/dbraw/zinc/57/43/38/822574338.db2.gz XGHMBCDDIDVKOB-UHFFFAOYSA-N 1 0 386.923 4.156 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1cccnc1C(F)(F)F ZINC000179912281 822575661 /nfs/dbraw/zinc/57/56/61/822575661.db2.gz SJLWDTPZKGCTJU-OAHLLOKOSA-N 1 0 391.437 4.405 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)c2cc(NC(C)=O)ccc2Cl)CC1 ZINC000184106976 822579150 /nfs/dbraw/zinc/57/91/50/822579150.db2.gz DFJPOHGLOZPHBM-UHFFFAOYSA-N 1 0 393.959 4.273 20 0 GIADRO COC[C@@H]1CCCN(C(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)CC1 ZINC000455048018 822579863 /nfs/dbraw/zinc/57/98/63/822579863.db2.gz ACUHPJMMZVBLQK-OAQYLSRUSA-N 1 0 387.568 4.241 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)c2cccc(OC)c2OC(F)F)c1 ZINC000047447820 822580289 /nfs/dbraw/zinc/58/02/89/822580289.db2.gz GJWDJDSGZARKKH-UHFFFAOYSA-N 1 0 378.419 4.391 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1cc(-c2ccccc2Cl)on1)c1ccsc1 ZINC000047446926 822580369 /nfs/dbraw/zinc/58/03/69/822580369.db2.gz APTLRPWMVGNZSG-INIZCTEOSA-N 1 0 375.881 4.089 20 0 GIADRO CC(C)[C@H]1CN(C(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)CCCO1 ZINC000455051963 822580893 /nfs/dbraw/zinc/58/08/93/822580893.db2.gz GHBJWKKYFRTWRS-JOCHJYFZSA-N 1 0 387.568 4.240 20 0 GIADRO CCOc1ccc(-c2nc(CC(=O)Nc3cccc(C[NH+](C)C)c3)cs2)cc1 ZINC000047454157 822581176 /nfs/dbraw/zinc/58/11/76/822581176.db2.gz SMTZASDZMDZMBJ-UHFFFAOYSA-N 1 0 395.528 4.452 20 0 GIADRO O=C(CCCc1nc2ccccc2[nH]1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000047455214 822581275 /nfs/dbraw/zinc/58/12/75/822581275.db2.gz BPUUWLQCQYOLNY-UHFFFAOYSA-N 1 0 390.531 4.188 20 0 GIADRO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+](C)Cc1cccc(C(N)=O)c1 ZINC000047461694 822581475 /nfs/dbraw/zinc/58/14/75/822581475.db2.gz RWXMNOMSIMAJPM-KRWDZBQOSA-N 1 0 387.483 4.231 20 0 GIADRO CCC[N@H+](C)[C@@H](CNC(=O)N(C)Cc1conc1CC)c1ccc(Cl)cc1 ZINC000455059572 822582600 /nfs/dbraw/zinc/58/26/00/822582600.db2.gz YSNVKZHSNNPVPU-IBGZPJMESA-N 1 0 392.931 4.115 20 0 GIADRO CC1CC[NH+](CC2CCN(C(=O)Nc3cccc(NC(=O)C4CC4)c3)CC2)CC1 ZINC000047487785 822583396 /nfs/dbraw/zinc/58/33/96/822583396.db2.gz PHVQBPKUDKIIJC-UHFFFAOYSA-N 1 0 398.551 4.011 20 0 GIADRO CC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)CC)cc1)c1ccc(OC(F)F)cc1 ZINC000179949037 822583844 /nfs/dbraw/zinc/58/38/44/822583844.db2.gz RMORXGDVBSJFCR-GOSISDBHSA-N 1 0 383.460 4.323 20 0 GIADRO COc1ccc(NC(=O)c2ccc(NC(=O)CC3(C[NH3+])CCCCC3)cc2)cc1 ZINC000184133635 822583878 /nfs/dbraw/zinc/58/38/78/822583878.db2.gz VUHWIGVXIHWSJC-UHFFFAOYSA-N 1 0 395.503 4.185 20 0 GIADRO CC(C)[N@@H+](Cc1ccc(NC(=O)N2CC[C@@H](F)C2)cc1)C[C@@H]1CCCCO1 ZINC000455073344 822584980 /nfs/dbraw/zinc/58/49/80/822584980.db2.gz HJEDPNFHHCRTJG-QUCCMNQESA-N 1 0 377.504 4.042 20 0 GIADRO COC[C@H](Cc1ccccc1)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000179955811 822585271 /nfs/dbraw/zinc/58/52/71/822585271.db2.gz WSVWJGBTLLHOGR-QHCPKHFHSA-N 1 0 381.564 4.134 20 0 GIADRO Cc1scc(C(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000179959627 822585835 /nfs/dbraw/zinc/58/58/35/822585835.db2.gz VZYQERNLWNDQCV-UHFFFAOYSA-N 1 0 386.561 4.166 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+][C@H]2CCCOc3cc(F)ccc32)cc1 ZINC000179961849 822586259 /nfs/dbraw/zinc/58/62/59/822586259.db2.gz NWFBFQBOENZOLY-KUHUBIRLSA-N 1 0 392.496 4.152 20 0 GIADRO COCCOc1ccc([C@H](C)[NH2+][C@H]2CCCOc3cc(F)ccc32)cc1OC ZINC000179961377 822586266 /nfs/dbraw/zinc/58/62/66/822586266.db2.gz HNIYSTFJMARGPN-KXBFYZLASA-N 1 0 389.467 4.424 20 0 GIADRO CC[NH+](CC)C1CCN(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)CC1 ZINC000047550706 822590014 /nfs/dbraw/zinc/59/00/14/822590014.db2.gz GEVFGPVRPRWIGX-UHFFFAOYSA-N 1 0 394.519 4.277 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(N2CCCC2=O)cc1)c1nc2ccc(Cl)cc2n1C ZINC000179983633 822590546 /nfs/dbraw/zinc/59/05/46/822590546.db2.gz RJXVNFXUMLRNFG-CQSZACIVSA-N 1 0 382.895 4.204 20 0 GIADRO CCOc1ccc(CC[NH2+][C@@H](c2cnn(C)c2)c2cccc(F)c2)cc1OCC ZINC000179984366 822590750 /nfs/dbraw/zinc/59/07/50/822590750.db2.gz IVJXICNOLSRNDQ-HSZRJFAPSA-N 1 0 397.494 4.278 20 0 GIADRO c1ccc(CCC[C@@H]([NH2+]C[C@@H]2COC3(CCOCC3)O2)c2ccccc2)cc1 ZINC000179985725 822590987 /nfs/dbraw/zinc/59/09/87/822590987.db2.gz DUDPXOFBCOMQGG-DHIUTWEWSA-N 1 0 381.516 4.262 20 0 GIADRO Cc1cccc(C)c1NC(=S)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000047567390 822591336 /nfs/dbraw/zinc/59/13/36/822591336.db2.gz LIIVCWUGINLLJK-RTBURBONSA-N 1 0 397.588 4.399 20 0 GIADRO C[C@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1ccc(Cl)c(Cl)c1Cl ZINC000179988350 822591575 /nfs/dbraw/zinc/59/15/75/822591575.db2.gz KOFNHYLGCMIGAZ-QWRGUYRKSA-N 1 0 380.699 4.220 20 0 GIADRO CC[C@]1(C(=O)Nc2cc(C[NH+](C)C)ccc2C)CCCN1C(=O)OC(C)(C)C ZINC000179992681 822592266 /nfs/dbraw/zinc/59/22/66/822592266.db2.gz RHIRHNUXYXPNSG-JOCHJYFZSA-N 1 0 389.540 4.175 20 0 GIADRO COc1ccc(NC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)cc1OC(C)C ZINC000184186439 822592759 /nfs/dbraw/zinc/59/27/59/822592759.db2.gz INVPCPCCQPBMFT-UHFFFAOYSA-N 1 0 389.471 4.005 20 0 GIADRO C[C@@H]1CN(C(=O)Nc2nc(Cc3ccccc3)cs2)CC[N@@H+](C2CCC2)C1 ZINC000455127917 822593550 /nfs/dbraw/zinc/59/35/50/822593550.db2.gz RHPVAGCNCMOGGJ-INIZCTEOSA-N 1 0 384.549 4.072 20 0 GIADRO CN(C)S(=O)(=O)c1ccccc1C[NH2+][C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000180003725 822593823 /nfs/dbraw/zinc/59/38/23/822593823.db2.gz JDBGDKYQQPINJN-OAQYLSRUSA-N 1 0 390.524 4.097 20 0 GIADRO COc1ccccc1[C@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)C1CCCC1 ZINC000180006418 822594589 /nfs/dbraw/zinc/59/45/89/822594589.db2.gz AUBADNVIHVIPKM-JOCHJYFZSA-N 1 0 382.504 4.414 20 0 GIADRO [NH3+]CC1(CC(=O)Nc2cccc(C[S@](=O)Cc3ccccc3)c2)CCCCC1 ZINC000184199855 822594825 /nfs/dbraw/zinc/59/48/25/822594825.db2.gz HRFXPIRIBZLNBR-MUUNZHRXSA-N 1 0 398.572 4.373 20 0 GIADRO Clc1ccc([C@@H]([NH2+]Cc2cccnc2N2CCOCC2)C2CC2)cc1Cl ZINC000180008583 822595147 /nfs/dbraw/zinc/59/51/47/822595147.db2.gz CLRVLIGZNHJVMP-IBGZPJMESA-N 1 0 392.330 4.466 20 0 GIADRO COc1ccc(NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1OC(C)C ZINC000184205404 822595986 /nfs/dbraw/zinc/59/59/86/822595986.db2.gz UMHCYETVPTZPCM-UHFFFAOYSA-N 1 0 397.519 4.400 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(F)c(F)c2)cc1OC ZINC000047609050 822596506 /nfs/dbraw/zinc/59/65/06/822596506.db2.gz ILBSDIBKMWQNQL-OLZOCXBDSA-N 1 0 378.419 4.050 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)N3CC(c4ccc(Cl)cc4)C3)c2)CC1 ZINC000455144955 822596559 /nfs/dbraw/zinc/59/65/59/822596559.db2.gz FTNAORCGADWOQF-UHFFFAOYSA-N 1 0 398.938 4.113 20 0 GIADRO CC(C)CS(=O)(=O)N1CCC([NH2+][C@H](C)c2ccc(SC(C)C)cc2)CC1 ZINC000180017047 822597315 /nfs/dbraw/zinc/59/73/15/822597315.db2.gz CXZMJRSELFGUBR-QGZVFWFLSA-N 1 0 398.638 4.288 20 0 GIADRO Cn1cc([C@@H](NCc2ccc(C[NH+]3CCCC3)cc2)c2cccc(F)c2)cn1 ZINC000180019587 822597955 /nfs/dbraw/zinc/59/79/55/822597955.db2.gz IYQSJJJYWRYAIA-QHCPKHFHSA-N 1 0 378.495 4.034 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)Nc1cccc2cccnc21 ZINC000180025324 822599563 /nfs/dbraw/zinc/59/95/63/822599563.db2.gz OQIVDHFNDZIFTQ-UHFFFAOYSA-N 1 0 389.503 4.400 20 0 GIADRO CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3cc(F)cc4cccnc43)ccc2NC1=O ZINC000180031611 822600965 /nfs/dbraw/zinc/60/09/65/822600965.db2.gz NEROAKDISUJNGC-BFUOFWGJSA-N 1 0 379.435 4.334 20 0 GIADRO Cc1ccc(-c2nnc(COC(=O)c3ccc(C[NH+]4CCCCC4)cc3)o2)cc1 ZINC000047701165 822600999 /nfs/dbraw/zinc/60/09/99/822600999.db2.gz PPMXRFLOTNRXAQ-UHFFFAOYSA-N 1 0 391.471 4.388 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1cccc(OCc2ccccn2)c1 ZINC000180033006 822601411 /nfs/dbraw/zinc/60/14/11/822601411.db2.gz RMQGXAUYVLVMJS-IEBWSBKVSA-N 1 0 397.519 4.321 20 0 GIADRO COc1cccc(CC[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)c1 ZINC000047720592 822603901 /nfs/dbraw/zinc/60/39/01/822603901.db2.gz NFISPFFYSZCJOH-UHFFFAOYSA-N 1 0 398.510 4.334 20 0 GIADRO CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]Cc2cc(OC)ccc2OC)cc1 ZINC000047724625 822604143 /nfs/dbraw/zinc/60/41/43/822604143.db2.gz GENNJYCMMVKBPJ-INIZCTEOSA-N 1 0 385.508 4.428 20 0 GIADRO O=C(NC[C@H]1CCCO1)c1cccc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)c1 ZINC000180051516 822604864 /nfs/dbraw/zinc/60/48/64/822604864.db2.gz VFQSZNWUPPMCRI-FGZHOGPDSA-N 1 0 398.934 4.490 20 0 GIADRO Fc1ccc(C([NH2+]CCc2nnc3n2CCCCC3)c2ccc(F)cc2)cc1 ZINC000180052018 822605021 /nfs/dbraw/zinc/60/50/21/822605021.db2.gz MNJZNWHUIYEJGQ-UHFFFAOYSA-N 1 0 382.458 4.204 20 0 GIADRO Cc1cc(C)c(NC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)cc1Br ZINC000455195300 822605426 /nfs/dbraw/zinc/60/54/26/822605426.db2.gz PAXXHQMLXGBKSI-ZDUSSCGKSA-N 1 0 394.357 4.404 20 0 GIADRO CCc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+][C@@H](C)C[S@@](C)=O)cc1 ZINC000184269496 822606362 /nfs/dbraw/zinc/60/63/62/822606362.db2.gz GWYGFSOZRCJZBK-XDBZFTIUSA-N 1 0 395.572 4.017 20 0 GIADRO Cn1cc(C[N@H+](C)C2CCN(Cc3ccccc3)CC2)c(-c2cccs2)n1 ZINC000180064638 822607341 /nfs/dbraw/zinc/60/73/41/822607341.db2.gz RULUZZCUIIEDIR-UHFFFAOYSA-N 1 0 380.561 4.245 20 0 GIADRO CCOc1cc(C)ccc1NC(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1 ZINC000047764549 822607611 /nfs/dbraw/zinc/60/76/11/822607611.db2.gz OFGNZFXABVUDDF-UHFFFAOYSA-N 1 0 397.519 4.142 20 0 GIADRO CC[C@H](C)n1ncc(C(=O)Nc2cccc(N3CC[NH+](CC)CC3)c2)c1C1CC1 ZINC000184279880 822607764 /nfs/dbraw/zinc/60/77/64/822607764.db2.gz HTLKYBCYEKAPCG-KRWDZBQOSA-N 1 0 395.551 4.126 20 0 GIADRO CCOc1ccc([C@@H](C)NC(=O)NCc2cccc(C[NH+](C)C)c2)cc1OCC ZINC000047774390 822608513 /nfs/dbraw/zinc/60/85/13/822608513.db2.gz RDKCNHROBFDPPU-QGZVFWFLSA-N 1 0 399.535 4.106 20 0 GIADRO C[C@H](C[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1)c1nccs1 ZINC000184291210 822609623 /nfs/dbraw/zinc/60/96/23/822609623.db2.gz MUHXJMNVUHIGNF-LLVKDONJSA-N 1 0 377.311 4.189 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000180072731 822609749 /nfs/dbraw/zinc/60/97/49/822609749.db2.gz OTEHSDDUTNJXCQ-UHFFFAOYSA-N 1 0 396.531 4.366 20 0 GIADRO C[C@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1)c1nccs1 ZINC000184294301 822610012 /nfs/dbraw/zinc/61/00/12/822610012.db2.gz CDHGDWSIXQFLHI-MRXNPFEDSA-N 1 0 375.501 4.284 20 0 GIADRO COc1ccc(CC[NH2+][C@H](C)c2nc3ccccc3n2C)cc1OC(F)F ZINC000180080225 822611155 /nfs/dbraw/zinc/61/11/55/822611155.db2.gz RYUIEEDQSIQTIQ-CYBMUJFWSA-N 1 0 375.419 4.077 20 0 GIADRO COc1cccc([C@H]2C[C@H](N(C)C(=O)Nc3ccccc3CC[NH+](C)C)C2)c1 ZINC000455221984 822611550 /nfs/dbraw/zinc/61/15/50/822611550.db2.gz FHDYKZFBKIHDAY-MXVIHJGJSA-N 1 0 381.520 4.209 20 0 GIADRO COc1ccc(Br)cc1C[NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000047827938 822612933 /nfs/dbraw/zinc/61/29/33/822612933.db2.gz WSSXUUWVKNPMGU-LBPRGKRZSA-N 1 0 389.293 4.193 20 0 GIADRO COc1ccc(C[NH2+][C@@H](C)c2ccc3c(c2)CCC(=O)N3)cc1OC(F)F ZINC000047827545 822612955 /nfs/dbraw/zinc/61/29/55/822612955.db2.gz GURNBNIDOJBJFQ-LBPRGKRZSA-N 1 0 376.403 4.032 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(OCc2ccncc2)cc1)c1ccc2c(c1)CCC(=O)N2 ZINC000047827006 822613028 /nfs/dbraw/zinc/61/30/28/822613028.db2.gz YHXOIPIPRMRMJC-KRWDZBQOSA-N 1 0 387.483 4.396 20 0 GIADRO COc1cccc(NC(=O)C[NH2+][C@H](C)c2ccc(OCC(C)C)c(OC)c2)c1 ZINC000180095325 822614327 /nfs/dbraw/zinc/61/43/27/822614327.db2.gz FFAHQWOOKPMMSH-MRXNPFEDSA-N 1 0 386.492 4.028 20 0 GIADRO C[C@H]1CN(C(=O)Nc2ncc(C(F)(F)F)s2)CC[N@H+](Cc2ccccc2)C1 ZINC000455234623 822614359 /nfs/dbraw/zinc/61/43/59/822614359.db2.gz AYZXAZQPFXOPGM-CYBMUJFWSA-N 1 0 398.454 4.148 20 0 GIADRO COc1ccc2oc([C@H](C)[NH2+]C[C@H](O)COCc3cccs3)c(C)c2c1 ZINC000184322969 822615094 /nfs/dbraw/zinc/61/50/94/822615094.db2.gz JGYQNKOVXHYOAV-GJZGRUSLSA-N 1 0 375.490 4.040 20 0 GIADRO COc1ccc2oc([C@H](C)[NH2+][C@@H](C)C(=O)NCc3cccc(OC)c3)c(C)c2c1 ZINC000184329573 822616109 /nfs/dbraw/zinc/61/61/09/822616109.db2.gz PJMHYWHMJHOXCG-HOTGVXAUSA-N 1 0 396.487 4.114 20 0 GIADRO COc1ccc2oc([C@@H](C)[NH2+]Cc3cc(=O)n4cc(Cl)ccc4n3)c(C)c2c1 ZINC000184330846 822616519 /nfs/dbraw/zinc/61/65/19/822616519.db2.gz CYQKNJVBJXEBHT-CYBMUJFWSA-N 1 0 397.862 4.262 20 0 GIADRO O=C(NCCCCC[NH+]1CCCC1)N[C@H](c1c(F)cccc1F)C(F)(F)F ZINC000455246540 822616699 /nfs/dbraw/zinc/61/66/99/822616699.db2.gz VTFIWECHZMQMBX-MRXNPFEDSA-N 1 0 393.400 4.134 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1ccc(Cl)c(OC(F)F)c1)c1cccs1 ZINC000180113391 822618062 /nfs/dbraw/zinc/61/80/62/822618062.db2.gz GKANNNHQFXGLHT-GFCCVEGCSA-N 1 0 389.855 4.427 20 0 GIADRO CCCN1c2ccc(N[C@@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C)cc2CCC1=O ZINC000180115738 822618445 /nfs/dbraw/zinc/61/84/45/822618445.db2.gz GIAXYBZTGXBFHN-PGRDOPGGSA-N 1 0 392.547 4.093 20 0 GIADRO Cc1cc(F)c(Br)cc1NC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000455253634 822618516 /nfs/dbraw/zinc/61/85/16/822618516.db2.gz WWBGXSQPBAHJLS-LBPRGKRZSA-N 1 0 398.320 4.235 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c2ccccc2O1 ZINC000455254200 822618719 /nfs/dbraw/zinc/61/87/19/822618719.db2.gz WVUBCJZAAGXVJK-KAGYGMCKSA-N 1 0 393.531 4.062 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]CC(=O)N1CCC(C)CC1 ZINC000184342952 822618984 /nfs/dbraw/zinc/61/89/84/822618984.db2.gz BNSHLCRDSRMSPE-AWEZNQCLSA-N 1 0 375.513 4.167 20 0 GIADRO C[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1nc2ccc(Cl)cc2n1C ZINC000180119097 822619029 /nfs/dbraw/zinc/61/90/29/822619029.db2.gz HEBIXRUHUWJPGD-BXWFABGCSA-N 1 0 397.954 4.183 20 0 GIADRO Cc1csc(NC(=O)C[NH2+][C@H](C)c2sc(-c3ccc(F)cc3)nc2C)n1 ZINC000184343668 822619169 /nfs/dbraw/zinc/61/91/69/822619169.db2.gz ZEZNNJRTNXPEDU-LLVKDONJSA-N 1 0 390.509 4.312 20 0 GIADRO CC(C)Oc1cccc([C@H](O)C[NH2+][C@H](C)c2nc3ccc(Cl)cc3n2C)c1 ZINC000180120295 822619249 /nfs/dbraw/zinc/61/92/49/822619249.db2.gz GPPRPFIZRKAAHS-JLTOFOAXSA-N 1 0 387.911 4.398 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)N[C@H]1CCCC[C@H]1CC(F)(F)F)c1cccs1 ZINC000455260897 822620222 /nfs/dbraw/zinc/62/02/22/822620222.db2.gz LEARQNNUFUYPBZ-MELADBBJSA-N 1 0 377.476 4.161 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]C[C@@H](O)COCc1ccco1 ZINC000184350572 822620453 /nfs/dbraw/zinc/62/04/53/822620453.db2.gz DNBMPPRYJYSAMY-SUMWQHHRSA-N 1 0 390.480 4.079 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)NCc1ncc(-c2ccccc2)o1)c1ccccc1 ZINC000047948433 822621862 /nfs/dbraw/zinc/62/18/62/822621862.db2.gz QYCOQXMRBZYYJI-HXUWFJFHSA-N 1 0 392.503 4.224 20 0 GIADRO CC(C)(C)OC(=O)c1cccc(C[N@@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)c1 ZINC000180132118 822622478 /nfs/dbraw/zinc/62/24/78/822622478.db2.gz XMWSVHSJPQGDGQ-SFHVURJKSA-N 1 0 388.552 4.016 20 0 GIADRO Cc1c(NC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)cccc1N(C)C ZINC000180134839 822623408 /nfs/dbraw/zinc/62/34/08/822623408.db2.gz JDYZZPOREJENBB-UHFFFAOYSA-N 1 0 388.943 4.310 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)NC(c2ccccc2C)c2ccccc2C)C1 ZINC000184369509 822623492 /nfs/dbraw/zinc/62/34/92/822623492.db2.gz HFGQFEQQDOFVPO-HXUWFJFHSA-N 1 0 379.548 4.376 20 0 GIADRO CC(=O)c1c(C)cc(C)c(C[NH+]2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c1C ZINC000048046151 822626460 /nfs/dbraw/zinc/62/64/60/822626460.db2.gz UYURMRJFKDHVSA-INIZCTEOSA-N 1 0 384.564 4.285 20 0 GIADRO Cc1cncc([C@@H](C)[NH2+][C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)c1 ZINC000184388106 822626604 /nfs/dbraw/zinc/62/66/04/822626604.db2.gz AWJFMQCEIFBRNA-DOMZBBRYSA-N 1 0 384.833 4.387 20 0 GIADRO CCCC(=CC(=O)Nc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1)CCC ZINC000180150234 822627247 /nfs/dbraw/zinc/62/72/47/822627247.db2.gz BXXCSOQGMHFNOO-UHFFFAOYSA-N 1 0 386.540 4.367 20 0 GIADRO CCOc1ccc(NC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)cc1OCC ZINC000048054590 822627620 /nfs/dbraw/zinc/62/76/20/822627620.db2.gz ZLLIGYOYBSGILC-SFHVURJKSA-N 1 0 389.471 4.048 20 0 GIADRO CCOc1ccc(NC(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)cc1OCC ZINC000048054591 822627625 /nfs/dbraw/zinc/62/76/25/822627625.db2.gz ZLLIGYOYBSGILC-GOSISDBHSA-N 1 0 389.471 4.048 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCN(c2ncccc2Cl)C1)c1nc2ccc(Cl)cc2n1C ZINC000180152094 822627928 /nfs/dbraw/zinc/62/79/28/822627928.db2.gz QKSUTELNJZFFSK-TZMCWYRMSA-N 1 0 390.318 4.205 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)C2CCCCC2)C1)c1nc2ccc(Cl)cc2n1C ZINC000180155122 822628388 /nfs/dbraw/zinc/62/83/88/822628388.db2.gz KKFMYIOBYOAKBT-WMLDXEAASA-N 1 0 388.943 4.059 20 0 GIADRO O=C(Nc1ccc(F)c(Cl)c1)C1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000180160662 822629580 /nfs/dbraw/zinc/62/95/80/822629580.db2.gz VBISEGAOORMUAV-UHFFFAOYSA-N 1 0 380.822 4.175 20 0 GIADRO Cc1ccc(NC(=O)C(C)C)cc1NC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000048081745 822630163 /nfs/dbraw/zinc/63/01/63/822630163.db2.gz YMLQAGQXISVHJO-UHFFFAOYSA-N 1 0 388.556 4.174 20 0 GIADRO C[N@@H+]1CC[C@@H](NC(=O)CCCc2ncc(-c3ccccc3)o2)[C@@H]1c1ccccc1 ZINC000180162649 822630251 /nfs/dbraw/zinc/63/02/51/822630251.db2.gz SWFNPHOWYBKLSV-YKSBVNFPSA-N 1 0 389.499 4.226 20 0 GIADRO Cc1ccc(C(=O)CCCC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000184419229 822631738 /nfs/dbraw/zinc/63/17/38/822631738.db2.gz BZQCUCHTIRSLQX-IBGZPJMESA-N 1 0 398.572 4.438 20 0 GIADRO C[C@@H]([NH2+]CCCC(=O)N1Cc2ccccc2C1)c1nc2ccc(Cl)cc2n1C ZINC000180172704 822632152 /nfs/dbraw/zinc/63/21/52/822632152.db2.gz JJEPYSSKENIJHP-OAHLLOKOSA-N 1 0 396.922 4.200 20 0 GIADRO FC(F)(F)CCN1CCC([NH2+]CCOc2ccccc2C(F)(F)F)CC1 ZINC000180172217 822632182 /nfs/dbraw/zinc/63/21/82/822632182.db2.gz ZAWCNVOVRXGYMB-UHFFFAOYSA-N 1 0 384.364 4.091 20 0 GIADRO C[C@@H](Cc1ccccc1Br)[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000180179479 822633509 /nfs/dbraw/zinc/63/35/09/822633509.db2.gz AKKYKFLFJANFQE-ZDUSSCGKSA-N 1 0 393.291 4.387 20 0 GIADRO Cc1ccccc1[C@H](OC[C@H](O)C[NH2+][C@@H](C)c1nccs1)c1ccccc1 ZINC000184438678 822635271 /nfs/dbraw/zinc/63/52/71/822635271.db2.gz HVNWNZRGGSKMDE-FBBABVLZSA-N 1 0 382.529 4.269 20 0 GIADRO Cc1c(NC(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)cccc1N(C)C ZINC000180190357 822636027 /nfs/dbraw/zinc/63/60/27/822636027.db2.gz WHTHPXSKEUIACI-SFHVURJKSA-N 1 0 380.536 4.189 20 0 GIADRO CC1(C)CC(NC(=O)c2cccc(NC(=O)C3CCCCC3)c2)CC(C)(C)[NH2+]1 ZINC000048127260 822636546 /nfs/dbraw/zinc/63/65/46/822636546.db2.gz HWIOLGIBHAEWJG-UHFFFAOYSA-N 1 0 385.552 4.244 20 0 GIADRO CC(C)NC(=O)Nc1cccc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000048136808 822637188 /nfs/dbraw/zinc/63/71/88/822637188.db2.gz SSTGUJYRPJOCFT-UHFFFAOYSA-N 1 0 380.492 4.065 20 0 GIADRO O=C(CCc1cncc(F)c1)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000180195976 822637240 /nfs/dbraw/zinc/63/72/40/822637240.db2.gz ODOOXIXKIJELQC-UHFFFAOYSA-N 1 0 397.538 4.004 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)Nc1ccc(N2CCCC2)c(F)c1 ZINC000048138951 822637663 /nfs/dbraw/zinc/63/76/63/822637663.db2.gz LLWKZOJHOFMYAA-UHFFFAOYSA-N 1 0 396.510 4.343 20 0 GIADRO C[C@H](c1ccncc1)N1CCC([NH2+][C@@H](C)c2nc3ccc(Cl)cc3n2C)CC1 ZINC000180199266 822637873 /nfs/dbraw/zinc/63/78/73/822637873.db2.gz MCIWYQXOYZUNQJ-JKSUJKDBSA-N 1 0 397.954 4.498 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(COC2CCOCC2)cc1)c1nc2ccccc2n1C ZINC000180200744 822638381 /nfs/dbraw/zinc/63/83/81/822638381.db2.gz MQQUYNMRZSJTCD-QGZVFWFLSA-N 1 0 379.504 4.120 20 0 GIADRO C[NH+](C)CC(C)(C)NC(=O)Nc1ccc(-c2csc(C(F)(F)F)n2)cc1 ZINC000455351136 822638547 /nfs/dbraw/zinc/63/85/47/822638547.db2.gz LRBFMWASXGRPGO-UHFFFAOYSA-N 1 0 386.443 4.291 20 0 GIADRO Cc1cnc([C@@H](C)CNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)s1 ZINC000184459716 822639126 /nfs/dbraw/zinc/63/91/26/822639126.db2.gz WPYNOTUDGSWWNP-INIZCTEOSA-N 1 0 386.565 4.040 20 0 GIADRO COc1ccc(OC)c([C@H](C)NC(=O)NCc2ccccc2C[N@H+](C)C(C)C)c1 ZINC000048152887 822640560 /nfs/dbraw/zinc/64/05/60/822640560.db2.gz NTUJHECEJAMJOV-KRWDZBQOSA-N 1 0 399.535 4.104 20 0 GIADRO C[NH+](C)Cc1ccccc1NC(=O)COc1ccc(OCc2ccccc2)cc1 ZINC000048174264 822642222 /nfs/dbraw/zinc/64/22/22/822642222.db2.gz NWPVAADMFDCBDT-UHFFFAOYSA-N 1 0 390.483 4.345 20 0 GIADRO CC(C)c1cccc(O[C@H](C)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000180222889 822642428 /nfs/dbraw/zinc/64/24/28/822642428.db2.gz UNFHUQCGTLKESZ-GOSISDBHSA-N 1 0 381.520 4.005 20 0 GIADRO O=C(CCSc1ccc(Cl)cc1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180224591 822642881 /nfs/dbraw/zinc/64/28/81/822642881.db2.gz GLIXROCOVRAGKU-UHFFFAOYSA-N 1 0 389.952 4.250 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)C1(c2cccc(F)c2)CCCC1 ZINC000180225013 822643055 /nfs/dbraw/zinc/64/30/55/822643055.db2.gz FVAIGJRZIWSJLR-UHFFFAOYSA-N 1 0 381.495 4.065 20 0 GIADRO Cc1cc2ncc([C@H](C)[NH2+][C@@H]3CCO[C@@H]3c3ccc(Cl)c(F)c3)c(C)n2n1 ZINC000180227442 822643545 /nfs/dbraw/zinc/64/35/45/822643545.db2.gz GJFPKHQQYLSWGQ-GCKAQTDUSA-N 1 0 388.874 4.319 20 0 GIADRO C[NH+](C)Cc1ccc(NC(=O)CCCOc2ccccc2Br)cc1 ZINC000048191997 822643839 /nfs/dbraw/zinc/64/38/39/822643839.db2.gz LHGXPUXFKWXUQR-UHFFFAOYSA-N 1 0 391.309 4.308 20 0 GIADRO CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000184486596 822644271 /nfs/dbraw/zinc/64/42/71/822644271.db2.gz RIQLMTAGDWIENC-FQEVSTJZSA-N 1 0 394.515 4.493 20 0 GIADRO CS(=O)(=O)Cc1cccc(C[NH2+]CC(c2ccccc2)c2ccccc2)c1 ZINC000180231280 822644721 /nfs/dbraw/zinc/64/47/21/822644721.db2.gz ANYCHKQIDPUAFG-UHFFFAOYSA-N 1 0 379.525 4.153 20 0 GIADRO Cn1cc(C[NH2+]CCc2coc(-c3ccc(F)cc3)n2)c(-c2ccccc2)n1 ZINC000180233986 822645060 /nfs/dbraw/zinc/64/50/60/822645060.db2.gz AJWOOLMRIODIHJ-UHFFFAOYSA-N 1 0 376.435 4.214 20 0 GIADRO O=C(NC[C@H]1CCCC1(F)F)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000455393655 822645767 /nfs/dbraw/zinc/64/57/67/822645767.db2.gz COHCFGOHCBUWDB-CTNGQTDRSA-N 1 0 391.506 4.120 20 0 GIADRO COc1ccc(-c2ccc(C)c(NC(=O)NC(C)(C)CCC[NH+](C)C)c2)cn1 ZINC000455395484 822646154 /nfs/dbraw/zinc/64/61/54/822646154.db2.gz RIZGXZRQZFRLOO-UHFFFAOYSA-N 1 0 384.524 4.308 20 0 GIADRO C[C@@H]([NH2+]C1(CNC(=O)c2ncccc2C(F)(F)F)CCCC1)c1ccccc1 ZINC000180240641 822646391 /nfs/dbraw/zinc/64/63/91/822646391.db2.gz ILFKDKGFQLETKP-OAHLLOKOSA-N 1 0 391.437 4.494 20 0 GIADRO CC(C)c1noc(Cc2ccc(NC(=O)NCCCCC[NH+]3CCCC3)cc2)n1 ZINC000455403798 822647391 /nfs/dbraw/zinc/64/73/91/822647391.db2.gz JJFWNDKLQMXJOM-UHFFFAOYSA-N 1 0 399.539 4.171 20 0 GIADRO Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1ccc(Br)c2cccnc12 ZINC000180245803 822647527 /nfs/dbraw/zinc/64/75/27/822647527.db2.gz WHYJTDZMZLYUJU-KRWDZBQOSA-N 1 0 385.309 4.240 20 0 GIADRO C[C@H](CCN[C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1)[NH+]1CCCCC1 ZINC000184509364 822647664 /nfs/dbraw/zinc/64/76/64/822647664.db2.gz QODXZUBUPUWBPQ-MOPGFXCFSA-N 1 0 392.609 4.318 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@H](c1ccccc1)C1CC1 ZINC000180247272 822647661 /nfs/dbraw/zinc/64/76/61/822647661.db2.gz AJLSECMAHSBGJR-HSZRJFAPSA-N 1 0 392.547 4.481 20 0 GIADRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+]C[C@H](C)CS(C)(=O)=O ZINC000184511770 822648179 /nfs/dbraw/zinc/64/81/79/822648179.db2.gz XFSMUPOYZXSAJS-NWDGAFQWSA-N 1 0 386.970 4.103 20 0 GIADRO CCCS(=O)(=O)CC[NH2+][C@@H](C)c1sc(-c2ccc(Cl)cc2)nc1C ZINC000184512376 822648465 /nfs/dbraw/zinc/64/84/65/822648465.db2.gz GQVAXNDYEKANBG-LBPRGKRZSA-N 1 0 386.970 4.247 20 0 GIADRO Cc1ccc(NC(=O)C(C)C)cc1NC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000048254845 822648617 /nfs/dbraw/zinc/64/86/17/822648617.db2.gz OZRKKGOSPHCPTQ-KRWDZBQOSA-N 1 0 388.556 4.223 20 0 GIADRO Cc1ccc(NC(=O)C(C)C)cc1NC(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000048255981 822648988 /nfs/dbraw/zinc/64/89/88/822648988.db2.gz VDSVIYBCCKJZJT-UHFFFAOYSA-N 1 0 396.535 4.233 20 0 GIADRO CCC(=O)Nc1ccc(C)c(NC(=O)NC[C@@H](c2ccc(CC)cc2)[NH+](C)C)c1 ZINC000048257154 822649275 /nfs/dbraw/zinc/64/92/75/822649275.db2.gz DGSVEIZGHHBSHV-NRFANRHFSA-N 1 0 396.535 4.330 20 0 GIADRO CCC(=O)Nc1ccc(C)c(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000048258507 822649670 /nfs/dbraw/zinc/64/96/70/822649670.db2.gz ZFHVZJYXWUFEHH-UHFFFAOYSA-N 1 0 394.519 4.130 20 0 GIADRO Cc1ccc(-c2cnc(CCC(=O)NCCC[NH+]3C[C@H](C)C[C@@H](C)C3)o2)cc1 ZINC000048267779 822649887 /nfs/dbraw/zinc/64/98/87/822649887.db2.gz VRXFRZSGBBVONC-RTBURBONSA-N 1 0 383.536 4.067 20 0 GIADRO COc1ccccc1COC[C@@H](O)C[NH2+][C@H](C)c1nc(-c2ccccc2)cs1 ZINC000184524276 822650606 /nfs/dbraw/zinc/65/06/06/822650606.db2.gz FKYJRKYIBXMHJY-APWZRJJASA-N 1 0 398.528 4.047 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)CSCc1ccncc1)c1ccccc1Cl ZINC000048298776 822652272 /nfs/dbraw/zinc/65/22/72/822652272.db2.gz RFKXMLZJSWXUAB-LJQANCHMSA-N 1 0 391.968 4.168 20 0 GIADRO Cc1cc(Br)ccc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000048299151 822652306 /nfs/dbraw/zinc/65/23/06/822652306.db2.gz ZRHFJWMUYQBBIG-UHFFFAOYSA-N 1 0 387.321 4.152 20 0 GIADRO Cc1cc(NC(=O)NC2CC[NH+](C3CCC3)CC2)c(F)cc1Br ZINC000455431676 822652458 /nfs/dbraw/zinc/65/24/58/822652458.db2.gz VUTYRLGDCAHJTL-UHFFFAOYSA-N 1 0 384.293 4.035 20 0 GIADRO COc1ccc([C@@H](NC(=O)NCc2ccccc2C[N@H+](C)C(C)C)C2CC2)cc1 ZINC000048304542 822652436 /nfs/dbraw/zinc/65/24/36/822652436.db2.gz FYGJVBMKIVKNCR-QHCPKHFHSA-N 1 0 395.547 4.486 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)COc1cccc2[nH]ccc21)c1nc(-c2ccccc2)cs1 ZINC000184534618 822652713 /nfs/dbraw/zinc/65/27/13/822652713.db2.gz QVNXYAIMSLBXKW-DOTOQJQBSA-N 1 0 393.512 4.382 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)CCSCc3ccccn3)cc2)C1 ZINC000048323147 822653651 /nfs/dbraw/zinc/65/36/51/822653651.db2.gz UHKHEAAUCOJERF-LJQANCHMSA-N 1 0 397.588 4.253 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CSCc1ccncc1 ZINC000048323453 822653688 /nfs/dbraw/zinc/65/36/88/822653688.db2.gz OAZBFSGJDAYCQV-SFHVURJKSA-N 1 0 383.561 4.006 20 0 GIADRO Cc1nc(NC(=O)N2CCC([NH2+]C(C)C)CC2)sc1Cc1ccc(F)cc1 ZINC000455446617 822655814 /nfs/dbraw/zinc/65/58/14/822655814.db2.gz LUXWBIRWRKINMY-UHFFFAOYSA-N 1 0 390.528 4.176 20 0 GIADRO CC(=O)Nc1cc(NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)ccc1C ZINC000048364809 822656704 /nfs/dbraw/zinc/65/67/04/822656704.db2.gz OBJDSEWEKOQREJ-UHFFFAOYSA-N 1 0 394.519 4.261 20 0 GIADRO CC(=O)Nc1cc(NC(=O)NCc2ccccc2C[NH+]2CCCCC2)ccc1C ZINC000048370149 822657125 /nfs/dbraw/zinc/65/71/25/822657125.db2.gz DUQUTQPECGCXNR-UHFFFAOYSA-N 1 0 394.519 4.261 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)Nc1cc(F)c(F)cc1N1CCCCC1 ZINC000455453356 822657285 /nfs/dbraw/zinc/65/72/85/822657285.db2.gz AIXWLRYMCVSCDF-UHFFFAOYSA-N 1 0 382.499 4.197 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)CCC(=O)c1ccc(F)cc1F)c1ccccc1 ZINC000048381736 822657894 /nfs/dbraw/zinc/65/78/94/822657894.db2.gz RATFQOVWZOKHDC-HXUWFJFHSA-N 1 0 388.458 4.127 20 0 GIADRO CCOCCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CCCC1 ZINC000180295365 822658173 /nfs/dbraw/zinc/65/81/73/822658173.db2.gz IXWAWRZITSGNHH-YQQQUEKLSA-N 1 0 380.573 4.494 20 0 GIADRO C[NH+](C)CC1CCC(NC(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)CC1 ZINC000180296936 822658519 /nfs/dbraw/zinc/65/85/19/822658519.db2.gz SAIOOSKDINXACX-UHFFFAOYSA-N 1 0 393.491 4.132 20 0 GIADRO CC(C)[N@H+](C)Cc1cccc(CN[C@H](c2cnn(C)c2)c2cccc(F)c2)c1 ZINC000180298783 822659002 /nfs/dbraw/zinc/65/90/02/822659002.db2.gz OOEUGPKCNOSBLH-QHCPKHFHSA-N 1 0 380.511 4.279 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)c2ccc(Br)cc2F)CC1 ZINC000048402266 822659966 /nfs/dbraw/zinc/65/99/66/822659966.db2.gz HVTNMLCNQAXAFZ-UHFFFAOYSA-N 1 0 385.321 4.172 20 0 GIADRO Cc1c2cccc(C)c2oc1C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000180302155 822659993 /nfs/dbraw/zinc/65/99/93/822659993.db2.gz ZFXMYPBNVQVFEF-UHFFFAOYSA-N 1 0 384.520 4.014 20 0 GIADRO CC[NH+](CC)CCOc1ccc(CNC(=O)Nc2c(C)cc(C)nc2C)cc1 ZINC000455468102 822660319 /nfs/dbraw/zinc/66/03/19/822660319.db2.gz GXIQNIUSEHOUEL-UHFFFAOYSA-N 1 0 384.524 4.049 20 0 GIADRO O[C@@H](C[NH2+]C1CCN(Cc2ccncc2)CC1)c1ccc(-c2ccccc2)cc1 ZINC000184579943 822660743 /nfs/dbraw/zinc/66/07/43/822660743.db2.gz QYASOLNDZUQVNX-VWLOTQADSA-N 1 0 387.527 4.036 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)c1ccc(-c2ccccc2)cc1)c1ccc([S@](C)=O)cc1 ZINC000184579580 822660753 /nfs/dbraw/zinc/66/07/53/822660753.db2.gz SNMIPNBTKVZIMI-IPZQTHRPSA-N 1 0 379.525 4.475 20 0 GIADRO O=C(c1cc(Cl)sc1Cl)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000180307851 822660884 /nfs/dbraw/zinc/66/08/84/822660884.db2.gz ZDKJFWIJFOLAEQ-UHFFFAOYSA-N 1 0 391.364 4.020 20 0 GIADRO Cc1cc2ncc([C@H](C)[NH2+]C[C@H](O)c3ccc(-c4ccccc4)cc3)c(C)n2n1 ZINC000184585423 822661540 /nfs/dbraw/zinc/66/15/40/822661540.db2.gz YYNJTLOGVBFGLD-SBUREZEXSA-N 1 0 386.499 4.397 20 0 GIADRO CC(=O)c1ccc(NC(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)cc1 ZINC000184586140 822661761 /nfs/dbraw/zinc/66/17/61/822661761.db2.gz KDGVWBJFTOMOPE-SFHVURJKSA-N 1 0 393.409 4.332 20 0 GIADRO C[NH+](C)CCN(C(=O)Nc1ccc2nc(-c3ccccn3)oc2c1)C1CCCC1 ZINC000180317075 822662405 /nfs/dbraw/zinc/66/24/05/822662405.db2.gz WCYGABCAYSAWDQ-UHFFFAOYSA-N 1 0 393.491 4.228 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ncn(C2CCCCC2)n1)c1ccsc1 ZINC000184596169 822663347 /nfs/dbraw/zinc/66/33/47/822663347.db2.gz KRLHBPNAGIOBBL-KRWDZBQOSA-N 1 0 390.557 4.049 20 0 GIADRO Cc1c(-c2cc(C[N@@H+]3CCCCC[C@@H]3C[C@H](O)c3ccccc3)on2)cnn1C ZINC000184612273 822665699 /nfs/dbraw/zinc/66/56/99/822665699.db2.gz DLIKJTZGRGJBCK-XXBNENTESA-N 1 0 394.519 4.252 20 0 GIADRO C[C@H](CC(=O)NC1CC[NH+](Cc2cccnc2)CC1)Cc1ccc(Cl)cc1 ZINC000180338011 822666030 /nfs/dbraw/zinc/66/60/30/822666030.db2.gz XJLXTVWEXWRRIF-KRWDZBQOSA-N 1 0 385.939 4.085 20 0 GIADRO O=C(N[C@H](c1ccccc1)c1ccc(F)cc1)NC1CC[NH+](C2CCC2)CC1 ZINC000455503177 822667245 /nfs/dbraw/zinc/66/72/45/822667245.db2.gz NWNSDDDEMZHGLG-JOCHJYFZSA-N 1 0 381.495 4.231 20 0 GIADRO Cc1c(-c2cc(C[N@@H+]3CCC[C@@H](c4nc5c(s4)CCCC5)C3)on2)cnn1C ZINC000184628884 822668207 /nfs/dbraw/zinc/66/82/07/822668207.db2.gz UITLITBOQNVGMM-OAHLLOKOSA-N 1 0 397.548 4.098 20 0 GIADRO N#CCOc1cccc(NC(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)c1 ZINC000048510609 822669003 /nfs/dbraw/zinc/66/90/03/822669003.db2.gz FDVCUMAQMJSVEK-FQEVSTJZSA-N 1 0 398.894 4.201 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)Nc2cc(C)n(-c3cccc(Cl)c3)n2)CC1 ZINC000180356274 822669422 /nfs/dbraw/zinc/66/94/22/822669422.db2.gz BGKQCUKSPKBTPQ-UHFFFAOYSA-N 1 0 389.931 4.172 20 0 GIADRO CCOCc1ccccc1CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000184642704 822670023 /nfs/dbraw/zinc/67/00/23/822670023.db2.gz WHULOMVOCBGUFL-UHFFFAOYSA-N 1 0 380.532 4.142 20 0 GIADRO COc1ccc(OCc2nc(C[NH2+][C@@H]3CC(C)(C)OC3(C)C)cs2)cc1 ZINC000180367748 822671054 /nfs/dbraw/zinc/67/10/54/822671054.db2.gz IXLCIBZYLGQXSE-QGZVFWFLSA-N 1 0 376.522 4.166 20 0 GIADRO COc1ccc(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c(C(F)(F)F)c1 ZINC000048549593 822671408 /nfs/dbraw/zinc/67/14/08/822671408.db2.gz VEELKVSBZVLEDM-INIZCTEOSA-N 1 0 397.397 4.266 20 0 GIADRO CCc1ccccc1NC(=O)C[NH2+][C@@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000180377181 822672243 /nfs/dbraw/zinc/67/22/43/822672243.db2.gz DFQBUAZAKMBWLS-HNNXBMFYSA-N 1 0 380.467 4.172 20 0 GIADRO COc1ccc([C@H](C[NH2+][C@@H](C)c2cc(F)c(F)c(F)c2)N(C)C)cc1OC ZINC000180381028 822673100 /nfs/dbraw/zinc/67/31/00/822673100.db2.gz IRARJXZLLMXXHY-SJCJKPOMSA-N 1 0 382.426 4.075 20 0 GIADRO C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000455552273 822673911 /nfs/dbraw/zinc/67/39/11/822673911.db2.gz FKEIJHKOYSZFPE-JKSUJKDBSA-N 1 0 377.960 4.490 20 0 GIADRO CC[N@H+](CCC1CCN(C(=O)Nc2cc(F)cc(F)c2F)CC1)CC1CC1 ZINC000455554786 822674173 /nfs/dbraw/zinc/67/41/73/822674173.db2.gz QFTDEBPNZSCKDQ-UHFFFAOYSA-N 1 0 383.458 4.470 20 0 GIADRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)c1cccn1C1CCCC1)c1ccccc1O2 ZINC000180390495 822674633 /nfs/dbraw/zinc/67/46/33/822674633.db2.gz KUWUWPLOXIJAAG-HXUWFJFHSA-N 1 0 393.531 4.321 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cc(F)cc(F)c1F ZINC000455560202 822674677 /nfs/dbraw/zinc/67/46/77/822674677.db2.gz CHGTWDADWZKWSU-MRXNPFEDSA-N 1 0 391.437 4.480 20 0 GIADRO COc1cc([C@H](C)[NH2+]CC[C@H]2C(=O)Nc3ccccc32)ccc1OC(F)F ZINC000180392980 822674813 /nfs/dbraw/zinc/67/48/13/822674813.db2.gz IDCVQIDZXPPMOU-SWLSCSKDSA-N 1 0 376.403 4.073 20 0 GIADRO O=C(N[C@H](Cc1ccccc1)c1ccccc1F)NC1CC[NH+](C2CCC2)CC1 ZINC000455561681 822674993 /nfs/dbraw/zinc/67/49/93/822674993.db2.gz NCHXTCYERQKSTJ-HSZRJFAPSA-N 1 0 395.522 4.426 20 0 GIADRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)Nc2cc(F)cc(F)c2F)CC1 ZINC000455562994 822675053 /nfs/dbraw/zinc/67/50/53/822675053.db2.gz HXFBNSSFYSNBPY-UHFFFAOYSA-N 1 0 391.437 4.480 20 0 GIADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000184680134 822675265 /nfs/dbraw/zinc/67/52/65/822675265.db2.gz LZGVKGSMBAMACX-JKIFEVAISA-N 1 0 394.462 4.222 20 0 GIADRO C[C@H]1C[C@@H](NC(=O)Nc2cc(F)cc(F)c2F)CC[N@@H+]1Cc1ccccc1 ZINC000455568606 822675965 /nfs/dbraw/zinc/67/59/65/822675965.db2.gz RNRZKXWJPHYKNL-BBRMVZONSA-N 1 0 377.410 4.279 20 0 GIADRO COc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)cc1OC ZINC000180411090 822677315 /nfs/dbraw/zinc/67/73/15/822677315.db2.gz ZOTHFFSOWGLCLV-GOSISDBHSA-N 1 0 396.531 4.489 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3cc(-c4ccccc4)no3)cc2)CC1 ZINC000180416641 822678014 /nfs/dbraw/zinc/67/80/14/822678014.db2.gz JUNOFNUCFWSCFQ-UHFFFAOYSA-N 1 0 390.487 4.124 20 0 GIADRO C[C@@H](NC1CC[NH+](C(C)(C)C)CC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000180416129 822678066 /nfs/dbraw/zinc/67/80/66/822678066.db2.gz QPVQKURNJRDEKT-QGZVFWFLSA-N 1 0 392.609 4.316 20 0 GIADRO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000048682356 822678152 /nfs/dbraw/zinc/67/81/52/822678152.db2.gz XGAAEWVCRORHML-UHFFFAOYSA-N 1 0 383.879 4.204 20 0 GIADRO CC(C)[C@H]([NH2+]Cc1cnc(-c2ccccc2)nc1)c1ccc2c(c1)OCCO2 ZINC000048684092 822678185 /nfs/dbraw/zinc/67/81/85/822678185.db2.gz CCDPRKNJBMUXLK-QFIPXVFZSA-N 1 0 375.472 4.402 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)C(C)(C)c3cccc(F)c3)cc2)CC1 ZINC000180417765 822678297 /nfs/dbraw/zinc/67/82/97/822678297.db2.gz VILHKXFAZFAGEA-UHFFFAOYSA-N 1 0 383.511 4.272 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@@H](c1ccccc1)C(F)F ZINC000455584916 822678585 /nfs/dbraw/zinc/67/85/85/822678585.db2.gz AZHKEEKKFAYUGQ-IBGZPJMESA-N 1 0 375.463 4.332 20 0 GIADRO C[C@H](CC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1F ZINC000180421170 822678676 /nfs/dbraw/zinc/67/86/76/822678676.db2.gz CAGMMGGFKLJONY-GOSISDBHSA-N 1 0 383.511 4.479 20 0 GIADRO Cc1ccccc1C1(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)CC1 ZINC000180420920 822678700 /nfs/dbraw/zinc/67/87/00/822678700.db2.gz XHNYZHQOZFYRDT-UHFFFAOYSA-N 1 0 377.532 4.196 20 0 GIADRO CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)c1 ZINC000180420036 822678712 /nfs/dbraw/zinc/67/87/12/822678712.db2.gz SYSAXWVHQIZKCE-DLBZAZTESA-N 1 0 395.503 4.479 20 0 GIADRO CC[C@@H](C)C(=O)Nc1cccc(C[NH2+][C@@H](C)c2ccc(OC)c(NC(C)=O)c2)c1 ZINC000180421688 822678847 /nfs/dbraw/zinc/67/88/47/822678847.db2.gz ZHMGEZATINFSLW-CVEARBPZSA-N 1 0 397.519 4.489 20 0 GIADRO CC1(C(=O)NCc2coc(-c3cccs3)n2)CC[NH+](Cc2ccccc2)CC1 ZINC000184700833 822678905 /nfs/dbraw/zinc/67/89/05/822678905.db2.gz UHIFHHWOGBKEPL-UHFFFAOYSA-N 1 0 395.528 4.322 20 0 GIADRO COc1cc(Cl)cc(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)c1O ZINC000184706350 822679728 /nfs/dbraw/zinc/67/97/28/822679728.db2.gz LYCDHPMDKISRGN-IBGZPJMESA-N 1 0 375.852 4.066 20 0 GIADRO COc1cc(Cl)cc(C[NH2+]CCc2nc(-c3cccc(Cl)c3)no2)c1O ZINC000184708622 822680169 /nfs/dbraw/zinc/68/01/69/822680169.db2.gz YBPUUJHEADSJJL-UHFFFAOYSA-N 1 0 394.258 4.090 20 0 GIADRO CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000180429190 822680226 /nfs/dbraw/zinc/68/02/26/822680226.db2.gz QMHNRJUWJPSCES-QFIPXVFZSA-N 1 0 395.547 4.322 20 0 GIADRO C[C@H]1C[C@H](CCNC(=O)NCCC2CC(F)(F)C2)C[N@@H+]1Cc1ccccc1 ZINC000455593288 822680456 /nfs/dbraw/zinc/68/04/56/822680456.db2.gz HCZDJULLVAHPIR-WMZOPIPTSA-N 1 0 379.495 4.022 20 0 GIADRO Cc1nccn1CCC[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000048750377 822681424 /nfs/dbraw/zinc/68/14/24/822681424.db2.gz VNXVJCVLUXGJHA-UHFFFAOYSA-N 1 0 382.895 4.277 20 0 GIADRO O=C(N[C@@H](c1ccccc1)C(F)F)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000455599218 822681709 /nfs/dbraw/zinc/68/17/09/822681709.db2.gz OMNCSTOOHASWGQ-MJGOQNOKSA-N 1 0 379.495 4.290 20 0 GIADRO COCCC1(C[NH2+][C@H](C)C(=O)Nc2ccccc2Br)CCCCC1 ZINC000184721292 822681858 /nfs/dbraw/zinc/68/18/58/822681858.db2.gz GXSOQXIQPAGOFT-OAHLLOKOSA-N 1 0 397.357 4.353 20 0 GIADRO COc1cc2c(cc1C[NH2+]Cc1cccc(NC(=O)C3CCCC3)c1)O[C@H](C)C2 ZINC000048781310 822682845 /nfs/dbraw/zinc/68/28/45/822682845.db2.gz FQGPJFSNFFYKQE-MRXNPFEDSA-N 1 0 394.515 4.437 20 0 GIADRO CC(C)(C)NC(=O)C[NH2+]Cc1ccc(-c2ccccc2Br)s1 ZINC000048790047 822683473 /nfs/dbraw/zinc/68/34/73/822683473.db2.gz IPDLHAFWJMHQCZ-UHFFFAOYSA-N 1 0 381.339 4.182 20 0 GIADRO O[C@@H](C[NH2+]Cc1cccc(Br)c1)c1cccc(Br)c1 ZINC000048818683 822684483 /nfs/dbraw/zinc/68/44/83/822684483.db2.gz QRGNNPJJZQCZDJ-HNNXBMFYSA-N 1 0 385.099 4.035 20 0 GIADRO CC(=O)Nc1cccc(OCC[NH2+][C@H](C)c2ccc(F)c(Br)c2)c1 ZINC000180450240 822684549 /nfs/dbraw/zinc/68/45/49/822684549.db2.gz YSOIBHPTAVZTND-GFCCVEGCSA-N 1 0 395.272 4.276 20 0 GIADRO O=C(CCC[NH2+]Cc1cnn(Cc2ccccc2)c1)Nc1ccc(Cl)cc1 ZINC000048824959 822684751 /nfs/dbraw/zinc/68/47/51/822684751.db2.gz MHUWIKOUZMDZSA-UHFFFAOYSA-N 1 0 382.895 4.093 20 0 GIADRO COc1cccc2[nH]cc(CC[NH2+]Cc3cccc(OCc4ccccn4)c3)c21 ZINC000180451704 822684743 /nfs/dbraw/zinc/68/47/43/822684743.db2.gz MPSZFMYMSZZFNG-UHFFFAOYSA-N 1 0 387.483 4.483 20 0 GIADRO COCc1ccccc1CNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000048828369 822684833 /nfs/dbraw/zinc/68/48/33/822684833.db2.gz OLVNGEWEYFZUGV-LJQANCHMSA-N 1 0 395.547 4.064 20 0 GIADRO CC[C@@H]1C[C@@H](C(=O)N(c2cccc(SC)c2)C2CC[NH+](C)CC2)CCO1 ZINC000180454070 822685306 /nfs/dbraw/zinc/68/53/06/822685306.db2.gz RHOVHPKVFUNBHG-QFBILLFUSA-N 1 0 376.566 4.041 20 0 GIADRO COc1cccc2[nH]cc(CC[NH2+]Cc3ccccc3OCc3ccccn3)c21 ZINC000180456479 822685681 /nfs/dbraw/zinc/68/56/81/822685681.db2.gz LUSFUELLVUEDHT-UHFFFAOYSA-N 1 0 387.483 4.483 20 0 GIADRO CCc1c(C(=O)NC2CC[NH+](C(C)(C)C)CC2)cnn1-c1ccc(Cl)cc1 ZINC000184764933 822687922 /nfs/dbraw/zinc/68/79/22/822687922.db2.gz LNIWZTNWDFHAGU-UHFFFAOYSA-N 1 0 388.943 4.081 20 0 GIADRO CSCc1ccccc1NC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000184775872 822689324 /nfs/dbraw/zinc/68/93/24/822689324.db2.gz IXBBGWHHIJQWJG-IBGZPJMESA-N 1 0 383.561 4.236 20 0 GIADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cc(-c3ccccc3C)ccc2Cl)CC1 ZINC000455642961 822689512 /nfs/dbraw/zinc/68/95/12/822689512.db2.gz SAFSNDGGUWQNTG-GOSISDBHSA-N 1 0 399.966 4.071 20 0 GIADRO CC(C)=CCN(Cc1ccc(Cl)cc1)C(=O)Nc1ccnn1CC[NH+](C)C ZINC000455644417 822689910 /nfs/dbraw/zinc/68/99/10/822689910.db2.gz FWCKUVDVDXUFKZ-UHFFFAOYSA-N 1 0 389.931 4.098 20 0 GIADRO C[NH+](C)CCn1nccc1NC(=O)N[C@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000455645232 822690107 /nfs/dbraw/zinc/69/01/07/822690107.db2.gz HYVDKDNMWCBGRT-KRWDZBQOSA-N 1 0 396.322 4.024 20 0 GIADRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CC(=O)N3CCC(C)CC3)s2)cc1 ZINC000184785177 822690441 /nfs/dbraw/zinc/69/04/41/822690441.db2.gz LYZYPMVXIQTOGF-OAHLLOKOSA-N 1 0 387.549 4.036 20 0 GIADRO Cc1cccc(NC(=O)C[C@H](C)[NH2+]Cc2nc3ccccc3n2C2CC2)c1C ZINC000184785860 822690754 /nfs/dbraw/zinc/69/07/54/822690754.db2.gz IEVDONNDQBQWOG-INIZCTEOSA-N 1 0 376.504 4.495 20 0 GIADRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CC(=O)N(C(C)C)C(C)C)s2)cc1 ZINC000184793115 822691733 /nfs/dbraw/zinc/69/17/33/822691733.db2.gz BZJQMTHSEVKEGV-HNNXBMFYSA-N 1 0 389.565 4.423 20 0 GIADRO O=C(c1csc(-c2ccc(Cl)cc2)n1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000049073718 822692238 /nfs/dbraw/zinc/69/22/38/822692238.db2.gz ABYXIUYVDNKKGN-UHFFFAOYSA-N 1 0 389.952 4.412 20 0 GIADRO COc1cc(OC)c(CC[NH2+][C@H](c2ccccc2)c2ccccn2)c(OC)c1 ZINC000180504274 822692360 /nfs/dbraw/zinc/69/23/60/822692360.db2.gz GMQZILIAGFSFQQ-HSZRJFAPSA-N 1 0 378.472 4.029 20 0 GIADRO CCOCc1cc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)ccc1OC ZINC000180504480 822692415 /nfs/dbraw/zinc/69/24/15/822692415.db2.gz WQVXOECLMSQDJO-MOPGFXCFSA-N 1 0 375.534 4.381 20 0 GIADRO CC[NH+](CC)CC1CCN(C(=O)c2sc(NC(=O)C(C)(C)C)cc2C)CC1 ZINC000049077315 822692442 /nfs/dbraw/zinc/69/24/42/822692442.db2.gz WGZNMSJKEAHPMC-UHFFFAOYSA-N 1 0 393.597 4.235 20 0 GIADRO CSCc1ccccc1NC(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000184800746 822692456 /nfs/dbraw/zinc/69/24/56/822692456.db2.gz HBFMALDBCHBEMX-UHFFFAOYSA-N 1 0 387.549 4.202 20 0 GIADRO O=C(CC1(CSc2ccccc2)CC1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000184803858 822693194 /nfs/dbraw/zinc/69/31/94/822693194.db2.gz OYOJTDLYYJWLJD-UHFFFAOYSA-N 1 0 395.572 4.125 20 0 GIADRO CCOc1c(OC)cc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)cc1OC ZINC000180507603 822693270 /nfs/dbraw/zinc/69/32/70/822693270.db2.gz JUBUVOBXGXPULP-SJORKVTESA-N 1 0 391.533 4.252 20 0 GIADRO O=C(Nc1ccc([C@@H]2CCOC2)cc1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000455660514 822693854 /nfs/dbraw/zinc/69/38/54/822693854.db2.gz HZNLGCZEVUJICA-OAQYLSRUSA-N 1 0 385.552 4.310 20 0 GIADRO CSCc1ccccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000184809846 822694121 /nfs/dbraw/zinc/69/41/21/822694121.db2.gz QVJHPWIOPUVQOI-UHFFFAOYSA-N 1 0 375.513 4.284 20 0 GIADRO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1CC(=O)N(Cc1cccc(F)c1)C(C)(C)C ZINC000180511064 822694150 /nfs/dbraw/zinc/69/41/50/822694150.db2.gz AVNNARVTPVPBRC-LJQANCHMSA-N 1 0 386.515 4.130 20 0 GIADRO CC(C)c1ccc([C@H]2CCCCN2C(=O)Nc2ccnn2CC[NH+](C)C)cc1 ZINC000455662109 822694254 /nfs/dbraw/zinc/69/42/54/822694254.db2.gz VEVLABCFNQKZLY-HXUWFJFHSA-N 1 0 383.540 4.327 20 0 GIADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)CCCc1ccc2ccccc2c1 ZINC000180513007 822694449 /nfs/dbraw/zinc/69/44/49/822694449.db2.gz JYFWFYNSDOBQHJ-UHFFFAOYSA-N 1 0 375.516 4.148 20 0 GIADRO COc1cccc([C@H](O)C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c1 ZINC000180519264 822695194 /nfs/dbraw/zinc/69/51/94/822695194.db2.gz MWGTUWGDUQSEKZ-FGZHOGPDSA-N 1 0 378.428 4.016 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1ccc2[nH]ccc2c1)c1cccc(C(F)(F)F)c1 ZINC000184828323 822696233 /nfs/dbraw/zinc/69/62/33/822696233.db2.gz QKEFNBQJCDYZDN-GOSISDBHSA-N 1 0 375.394 4.219 20 0 GIADRO COCC[N@H+](C)CCCC1CCN(C(=O)Nc2ccccc2CSC)CC1 ZINC000184827491 822696285 /nfs/dbraw/zinc/69/62/85/822696285.db2.gz IGDKHSGZMIPOPE-UHFFFAOYSA-N 1 0 393.597 4.152 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(OCC(F)F)c1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000180529122 822696663 /nfs/dbraw/zinc/69/66/63/822696663.db2.gz KLVHANNUDAQODA-CQSZACIVSA-N 1 0 389.446 4.465 20 0 GIADRO Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+]CCc1cccc(C(N)=O)c1 ZINC000180532087 822697366 /nfs/dbraw/zinc/69/73/66/822697366.db2.gz SILBUIUIDNSZTN-CYBMUJFWSA-N 1 0 383.492 4.250 20 0 GIADRO Cc1cc(Br)c(F)cc1NC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000184836913 822697692 /nfs/dbraw/zinc/69/76/92/822697692.db2.gz MEGWAGDQLMTVGF-UHFFFAOYSA-N 1 0 398.320 4.379 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)Nc2cc3c(cn2)CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000455677169 822698321 /nfs/dbraw/zinc/69/83/21/822698321.db2.gz XJSJODGESRYTMM-DYESRHJHSA-N 1 0 378.520 4.087 20 0 GIADRO O=C(Nc1ccc(C2CCC2)cn1)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000455678085 822698514 /nfs/dbraw/zinc/69/85/14/822698514.db2.gz XAWHYIWTWAYENN-DEOSSOPVSA-N 1 0 390.531 4.479 20 0 GIADRO c1ccc(CC[N@H+](Cc2ccc(Oc3cnccn3)cc2)[C@@H]2CCOC2)cc1 ZINC000180539789 822698628 /nfs/dbraw/zinc/69/86/28/822698628.db2.gz HTRIUBMHQLKKPC-OAQYLSRUSA-N 1 0 375.472 4.103 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)Cc1c[nH]c2cccc(OC)c12 ZINC000180540393 822698871 /nfs/dbraw/zinc/69/88/71/822698871.db2.gz KMGPHAMODSNZLT-UHFFFAOYSA-N 1 0 395.503 4.078 20 0 GIADRO O=C(Nc1ccc([C@H]2CCOC2)cc1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000455679558 822698939 /nfs/dbraw/zinc/69/89/39/822698939.db2.gz ZZKMBXQKENMYPA-FPOVZHCZSA-N 1 0 385.552 4.310 20 0 GIADRO C[NH+](C)C1(CN[C@@H](c2ccc(F)cc2)c2ccccc2Cl)CCOCC1 ZINC000180542703 822699052 /nfs/dbraw/zinc/69/90/52/822699052.db2.gz ZYAMXMOXLLPFLB-FQEVSTJZSA-N 1 0 376.903 4.269 20 0 GIADRO CCOc1ccccc1CC[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000180546315 822699869 /nfs/dbraw/zinc/69/98/69/822699869.db2.gz CDAZQDVAFDGGEG-SFHVURJKSA-N 1 0 379.504 4.291 20 0 GIADRO CC(C)C[N@H+](C)[C@H](C)C(=O)Nc1ccc(Br)cc1Br ZINC000049442723 822700734 /nfs/dbraw/zinc/70/07/34/822700734.db2.gz NKAOKLUWJIXJIH-SNVBAGLBSA-N 1 0 392.135 4.126 20 0 GIADRO Cc1c(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cccc1-c1ccccn1 ZINC000180554749 822701359 /nfs/dbraw/zinc/70/13/59/822701359.db2.gz PRVILMLHIFRTDW-UHFFFAOYSA-N 1 0 386.499 4.098 20 0 GIADRO COCC[C@](C)(O)C[NH2+][C@H](c1ccc(Br)cc1)c1ccccc1F ZINC000180555839 822701618 /nfs/dbraw/zinc/70/16/18/822701618.db2.gz XEWLGVJKSYWKEU-MOPGFXCFSA-N 1 0 396.300 4.055 20 0 GIADRO O=S(=O)(CCC[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1)c1ccccc1 ZINC000180556091 822701634 /nfs/dbraw/zinc/70/16/34/822701634.db2.gz DQULWTLKTBYOPT-QGZVFWFLSA-N 1 0 389.414 4.273 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)Nc1cncc(Cl)c1C)[NH+]1CCCC1 ZINC000455687732 822701745 /nfs/dbraw/zinc/70/17/45/822701745.db2.gz QDVOOWBAOBJMQC-GOSISDBHSA-N 1 0 388.899 4.011 20 0 GIADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)C2(c3ccc(F)cc3F)CCC2)CC1 ZINC000180557007 822701790 /nfs/dbraw/zinc/70/17/90/822701790.db2.gz JVQVNTJYAFBXMG-MRXNPFEDSA-N 1 0 399.485 4.123 20 0 GIADRO Cc1ccc(-n2c(=O)c3ccccc3nc2SCC[C@@H]2CCCC[N@H+]2C)nc1 ZINC000049581450 822701819 /nfs/dbraw/zinc/70/18/19/822701819.db2.gz IUDBSNFDDLQPOZ-KRWDZBQOSA-N 1 0 394.544 4.056 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)Cn1ccc2cc(OC)ccc21 ZINC000049635465 822703260 /nfs/dbraw/zinc/70/32/60/822703260.db2.gz FHGHXTBVXGPLSV-UHFFFAOYSA-N 1 0 395.503 4.009 20 0 GIADRO O=C(Nc1nc(CC(F)(F)F)cs1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000455693359 822703692 /nfs/dbraw/zinc/70/36/92/822703692.db2.gz DPWUBPAITAPFAE-CQSZACIVSA-N 1 0 398.454 4.034 20 0 GIADRO CC(C)(C)[NH+]1CCC(NC(=O)N[C@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000180575019 822704967 /nfs/dbraw/zinc/70/49/67/822704967.db2.gz FIAAAZCRCLLFJU-KRWDZBQOSA-N 1 0 379.932 4.116 20 0 GIADRO Cc1ccc(C)c([C@H](NC2CC[NH+](C[C@@H]3CCOC3)CC2)c2ccccc2)c1 ZINC000180575787 822705056 /nfs/dbraw/zinc/70/50/56/822705056.db2.gz HCTQHHHXWBCKCM-SQJMNOBHSA-N 1 0 378.560 4.483 20 0 GIADRO CSCCC[NH2+][C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000180575191 822705119 /nfs/dbraw/zinc/70/51/19/822705119.db2.gz MBNHUZYPCWMZDV-GOSISDBHSA-N 1 0 383.966 4.176 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)N(C)Cc3ccccc3Cl)c2)CC1 ZINC000184883426 822706597 /nfs/dbraw/zinc/70/65/97/822706597.db2.gz ABWWKYZAYNSGRQ-UHFFFAOYSA-N 1 0 386.927 4.146 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)Nc2cn(C)nc2C2CCCCC2)[NH+]2CCCC2)o1 ZINC000455706338 822708367 /nfs/dbraw/zinc/70/83/67/822708367.db2.gz CURIWWYDNLBKOU-LJQANCHMSA-N 1 0 399.539 4.328 20 0 GIADRO CCOc1cccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c1OC(F)F ZINC000180601719 822709278 /nfs/dbraw/zinc/70/92/78/822709278.db2.gz FGVKLCISVNFNGV-HOTGVXAUSA-N 1 0 381.419 4.368 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)N(C)[C@H]1CCc2ccccc21)[NH+]1CCCC1 ZINC000049790091 822709561 /nfs/dbraw/zinc/70/95/61/822709561.db2.gz WJBJFZSCXUIELI-VXKWHMMOSA-N 1 0 393.531 4.161 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)N1CCC[C@H]1c1cccs1)[NH+]1CCCC1 ZINC000049790299 822709715 /nfs/dbraw/zinc/70/97/15/822709715.db2.gz QQWIMDVGLKLGBV-OALUTQOASA-N 1 0 399.560 4.440 20 0 GIADRO C[C@H](c1nc2ccccc2s1)N(C)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000049795102 822709723 /nfs/dbraw/zinc/70/97/23/822709723.db2.gz AUXBKZVPWZZLGU-AEFFLSMTSA-N 1 0 396.560 4.172 20 0 GIADRO C[N@H+](CCCNC(=O)Nc1nc(CC(F)(F)F)cs1)C1CCCCC1 ZINC000455711558 822710045 /nfs/dbraw/zinc/71/00/45/822710045.db2.gz YOMXSQNZSRUCMA-UHFFFAOYSA-N 1 0 378.464 4.024 20 0 GIADRO CC1CC[NH+](CCCCNC(=O)Nc2cn(C)nc2C2CCCCC2)CC1 ZINC000455712621 822710195 /nfs/dbraw/zinc/71/01/95/822710195.db2.gz KVVJQJQPKDSLKU-UHFFFAOYSA-N 1 0 375.561 4.101 20 0 GIADRO CC[C@@H](C)[NH2+][C@H](CNC(=O)Nc1cn(C)nc1C1CCCCC1)c1ccco1 ZINC000455718068 822712451 /nfs/dbraw/zinc/71/24/51/822712451.db2.gz LLSONIVFNVMQBK-NVXWUHKLSA-N 1 0 387.528 4.312 20 0 GIADRO CC(C)OCc1c2ccccc2oc1C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000049958604 822712772 /nfs/dbraw/zinc/71/27/72/822712772.db2.gz QHQZOBOAXXBBNC-KRWDZBQOSA-N 1 0 386.517 4.452 20 0 GIADRO Cn1cc(NC(=O)NCCC[N@H+](C)Cc2ccccc2)c(C2CCCCC2)n1 ZINC000455721569 822713419 /nfs/dbraw/zinc/71/34/19/822713419.db2.gz WKNVCQVHPBUXRM-UHFFFAOYSA-N 1 0 383.540 4.111 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)Nc2nc(CC(F)(F)F)cs2)C1 ZINC000455727209 822714992 /nfs/dbraw/zinc/71/49/92/822714992.db2.gz POHQNWDEHXBKJN-BETUJISGSA-N 1 0 392.491 4.128 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)Nc2ccccc2OCCF)CC1 ZINC000455727355 822715149 /nfs/dbraw/zinc/71/51/49/822715149.db2.gz WSPNVGPFXMBMSJ-KRWDZBQOSA-N 1 0 385.483 4.382 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccccc1OCCF ZINC000455727735 822715347 /nfs/dbraw/zinc/71/53/47/822715347.db2.gz XZHXGQCTGOVAMK-PKOBYXMFSA-N 1 0 385.483 4.067 20 0 GIADRO CN(C(=O)Nc1ccc2c(c1)CCCC2)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000455734521 822716704 /nfs/dbraw/zinc/71/67/04/822716704.db2.gz QFJCDODBCUSLQT-UHFFFAOYSA-N 1 0 383.458 4.446 20 0 GIADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cnc(Cc2ccccc2F)s1 ZINC000184945413 822716770 /nfs/dbraw/zinc/71/67/70/822716770.db2.gz QBMSZKBRAVUMSK-OAHLLOKOSA-N 1 0 377.529 4.113 20 0 GIADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Nc2cc(C)c(C)cc2Cl)[C@H](C)C1 ZINC000455738136 822717445 /nfs/dbraw/zinc/71/74/45/822717445.db2.gz YSPYNOXHYWZCLQ-SJLPKXTDSA-N 1 0 381.948 4.215 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1nn(-c2ccccc2)cc1C ZINC000184950074 822717499 /nfs/dbraw/zinc/71/74/99/822717499.db2.gz AOSHDZAVTJJBQT-UHFFFAOYSA-N 1 0 392.503 4.154 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2c(C)ccc(F)c2Br)[C@H](C)C1 ZINC000455744253 822718441 /nfs/dbraw/zinc/71/84/41/822718441.db2.gz DUSSYLHHZVIZEI-TZMCWYRMSA-N 1 0 386.309 4.091 20 0 GIADRO Cc1ccc(F)c(Br)c1NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000455745721 822718618 /nfs/dbraw/zinc/71/86/18/822718618.db2.gz GVFMDUAQTYVMEA-ZDUSSCGKSA-N 1 0 386.309 4.235 20 0 GIADRO Cc1ccc(F)c(Br)c1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000455747174 822718960 /nfs/dbraw/zinc/71/89/60/822718960.db2.gz HZIJDMCLUKACCJ-KGLIPLIRSA-N 1 0 398.320 4.376 20 0 GIADRO CCCn1ncc(NC(=O)N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)c1C1CC1 ZINC000455748068 822719083 /nfs/dbraw/zinc/71/90/83/822719083.db2.gz GTBIPPIXOZAHGL-UZLBHIALSA-N 1 0 383.540 4.292 20 0 GIADRO CCN(C)C(=O)C[NH2+][C@@H](C)c1sc(-c2ccccc2Br)nc1C ZINC000184963473 822719132 /nfs/dbraw/zinc/71/91/32/822719132.db2.gz FMMILEVMKCEJGH-NSHDSACASA-N 1 0 396.354 4.010 20 0 GIADRO Cc1cc([C@@H]2CCCN2C(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)no1 ZINC000050156521 822720492 /nfs/dbraw/zinc/72/04/92/822720492.db2.gz UMFZHXJYBKQIRU-FCHUYYIVSA-N 1 0 396.535 4.303 20 0 GIADRO CCCCn1cc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c(C)n1 ZINC000184975981 822720586 /nfs/dbraw/zinc/72/05/86/822720586.db2.gz BFSYZWYVYGCFHE-FYYLOGMGSA-N 1 0 394.563 4.118 20 0 GIADRO CCOc1ccc(Cl)c(NC(=O)NCC[N@H+](CC)CCC(F)(F)F)c1 ZINC000455758208 822720821 /nfs/dbraw/zinc/72/08/21/822720821.db2.gz PRRVGSSRUMPALR-UHFFFAOYSA-N 1 0 381.826 4.135 20 0 GIADRO Cc1ccc(F)c(Br)c1NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000455758072 822720876 /nfs/dbraw/zinc/72/08/76/822720876.db2.gz UXMFHBABPUMYOD-UHFFFAOYSA-N 1 0 386.309 4.139 20 0 GIADRO O=c1c2ccccc2ncn1CC[NH2+][C@H](Cc1ccccc1)c1cccs1 ZINC000184979141 822720915 /nfs/dbraw/zinc/72/09/15/822720915.db2.gz LGXFVDQCHVGGJG-HXUWFJFHSA-N 1 0 375.497 4.032 20 0 GIADRO CCCn1ncc(NC(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1C1CC1 ZINC000455761103 822721409 /nfs/dbraw/zinc/72/14/09/822721409.db2.gz XPABDJYNRNEQTP-FXAWDEMLSA-N 1 0 395.551 4.203 20 0 GIADRO CCCn1ncc(NC(=O)N(CC)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1C1CC1 ZINC000455761172 822721466 /nfs/dbraw/zinc/72/14/66/822721466.db2.gz XTYDAKWZQBXZBN-FQEVSTJZSA-N 1 0 395.551 4.299 20 0 GIADRO CCOc1ccc(Cl)c(NC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)c1 ZINC000455764634 822722081 /nfs/dbraw/zinc/72/20/81/822722081.db2.gz FCMHGJHYTLJQKT-UHFFFAOYSA-N 1 0 379.863 4.261 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)N(C)C[C@H](C)c2nccs2)[NH+]2CCCC2)cc1 ZINC000184986563 822722128 /nfs/dbraw/zinc/72/21/28/822722128.db2.gz ZFAXZEZFFXJJIQ-PKOBYXMFSA-N 1 0 386.565 4.034 20 0 GIADRO C[C@H]([NH2+]Cc1cnn(Cc2ccccc2)c1)c1ccc(Br)cc1O ZINC000184999403 822723849 /nfs/dbraw/zinc/72/38/49/822723849.db2.gz BVUYWRXQWMUMSH-AWEZNQCLSA-N 1 0 386.293 4.250 20 0 GIADRO CC(C)Oc1cccc(NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000455779000 822725057 /nfs/dbraw/zinc/72/50/57/822725057.db2.gz IDZNUAQKFQYSGL-LEWJYISDSA-N 1 0 393.531 4.460 20 0 GIADRO C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000185034130 822727513 /nfs/dbraw/zinc/72/75/13/822727513.db2.gz KRIYXPBQYSZIEH-MRXNPFEDSA-N 1 0 390.955 4.462 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Nc1ccc(C(=O)C(C)C)cc1 ZINC000455812564 822730929 /nfs/dbraw/zinc/73/09/29/822730929.db2.gz GOROSMZAPPPABE-UHFFFAOYSA-N 1 0 394.519 4.230 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]Cc1cc(-c2cnn(C)c2)no1 ZINC000185062258 822731184 /nfs/dbraw/zinc/73/11/84/822731184.db2.gz JDVRDDYDVIXREM-ZDUSSCGKSA-N 1 0 379.489 4.358 20 0 GIADRO Cn1nc(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)cc1OC(F)F ZINC000185075320 822733551 /nfs/dbraw/zinc/73/35/51/822733551.db2.gz YOOXXNIVTRXYHK-UHFFFAOYSA-N 1 0 392.450 4.038 20 0 GIADRO CCCn1ncc(NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)c1C1CC1 ZINC000455834538 822733777 /nfs/dbraw/zinc/73/37/77/822733777.db2.gz QWSZAFBYQPFVHY-UHFFFAOYSA-N 1 0 399.514 4.096 20 0 GIADRO Fc1cc(C[NH2+]Cc2cccc(Oc3ccccc3)c2)cnc1N1CCOCC1 ZINC000185080073 822734167 /nfs/dbraw/zinc/73/41/67/822734167.db2.gz XQWOMEMEKVZDBW-UHFFFAOYSA-N 1 0 393.462 4.139 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)NC[C@@H]3CCCN(c4ccccc4)C3)ccc21 ZINC000455841653 822735402 /nfs/dbraw/zinc/73/54/02/822735402.db2.gz DWZLKGBKXVEASQ-MBSDFSHPSA-N 1 0 392.547 4.274 20 0 GIADRO COc1cc(C)c(CN(C)C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)cc1OC ZINC000455847777 822736294 /nfs/dbraw/zinc/73/62/94/822736294.db2.gz CBAUSVMHINIIJQ-FQEVSTJZSA-N 1 0 397.519 4.225 20 0 GIADRO COc1cc(CCNC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)ccc1Cl ZINC000455849502 822736596 /nfs/dbraw/zinc/73/65/96/822736596.db2.gz KGHPULFFXIVFHN-LJQANCHMSA-N 1 0 387.911 4.262 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCO[C@H](CCc4ccccc4)C3)ccc21 ZINC000455849417 822736651 /nfs/dbraw/zinc/73/66/51/822736651.db2.gz KBFUGOJRCVHNBP-FYYLOGMGSA-N 1 0 393.531 4.101 20 0 GIADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Nc1scnc1C(C)C ZINC000455850669 822736949 /nfs/dbraw/zinc/73/69/49/822736949.db2.gz SUTXEIUKXGPQNS-UHFFFAOYSA-N 1 0 380.480 4.395 20 0 GIADRO CN(C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)[C@H](CO)c1ccc(Cl)cc1 ZINC000455851826 822737021 /nfs/dbraw/zinc/73/70/21/822737021.db2.gz LIXAKDXNGFOQQR-WOJBJXKFSA-N 1 0 387.911 4.086 20 0 GIADRO C[C@@H](CN(C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)[C@@H](C)CO)c1ccccc1 ZINC000455854013 822737502 /nfs/dbraw/zinc/73/75/02/822737502.db2.gz MUQPDPLQXMSOMY-IUKKYPGJSA-N 1 0 395.547 4.254 20 0 GIADRO CCSCc1ccc(NC(=O)N2CCC(OCC[NH+](CC)CC)CC2)cc1 ZINC000455856861 822738055 /nfs/dbraw/zinc/73/80/55/822738055.db2.gz IYBZICVNZYCFAO-UHFFFAOYSA-N 1 0 393.597 4.294 20 0 GIADRO C[C@@](O)(C[NH2+]Cc1ccc(OCc2ccncc2)cc1)c1cccc(Cl)c1 ZINC000185111016 822738378 /nfs/dbraw/zinc/73/83/78/822738378.db2.gz GLKDKAQDQOMXQC-JOCHJYFZSA-N 1 0 382.891 4.311 20 0 GIADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000455860363 822738778 /nfs/dbraw/zinc/73/87/78/822738778.db2.gz MCJPCQBYUJPQFS-HYVNUMGLSA-N 1 0 381.347 4.287 20 0 GIADRO Cc1ccc(C2CCN(C(=O)Nc3ccc4c(c3)CC[C@H]4[NH+](C)C)CC2)cn1 ZINC000455862292 822738917 /nfs/dbraw/zinc/73/89/17/822738917.db2.gz RJOKCKVJWCLDPK-JOCHJYFZSA-N 1 0 378.520 4.350 20 0 GIADRO C[C@@](O)(C[NH2+]Cc1ccccc1OCc1cccnc1)c1cccc(Cl)c1 ZINC000185116266 822739208 /nfs/dbraw/zinc/73/92/08/822739208.db2.gz RRVARVZCWMWZIF-JOCHJYFZSA-N 1 0 382.891 4.311 20 0 GIADRO COc1ccc(C[NH2+]C[C@](C)(O)c2cccc(Cl)c2)cc1OCCCC#N ZINC000185118321 822739366 /nfs/dbraw/zinc/73/93/66/822739366.db2.gz UATKQOCATPIRSC-NRFANRHFSA-N 1 0 388.895 4.028 20 0 GIADRO CC/C=C/CC[NH2+][C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000185123849 822739971 /nfs/dbraw/zinc/73/99/71/822739971.db2.gz LQKGZEMBSGMQPJ-SGSXCFNPSA-N 1 0 379.472 4.404 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CC[C@@](F)(c4ccccc4F)C3)ccc21 ZINC000455869914 822740177 /nfs/dbraw/zinc/74/01/77/822740177.db2.gz WUIVWWATSXQUJR-UNMCSNQZSA-N 1 0 385.458 4.477 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N3C[C@]4(C[C@@H]5CC[C@H]4C5)OC(C)(C)C3)ccc21 ZINC000455870805 822740330 /nfs/dbraw/zinc/74/03/30/822740330.db2.gz XRLNPYPAXWMUQK-GOQSBOLVSA-N 1 0 397.563 4.437 20 0 GIADRO C[C@@H]1CN(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C[C@H](c2ccsc2)O1 ZINC000455876130 822741069 /nfs/dbraw/zinc/74/10/69/822741069.db2.gz BCHFQWQMCSDIKV-JSNMRZPZSA-N 1 0 385.533 4.291 20 0 GIADRO Cc1nc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)sc1Cc1ccccc1F ZINC000455895331 822743966 /nfs/dbraw/zinc/74/39/66/822743966.db2.gz CIRMNJPBOPXCER-BBRMVZONSA-N 1 0 390.528 4.128 20 0 GIADRO CN(C)c1ccncc1C[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000185165174 822744814 /nfs/dbraw/zinc/74/48/14/822744814.db2.gz CTMCGJVFZZGONQ-UHFFFAOYSA-N 1 0 393.453 4.004 20 0 GIADRO C[N@@H+](Cc1ccc(Br)s1)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000185168817 822744978 /nfs/dbraw/zinc/74/49/78/822744978.db2.gz AXYGWKBREMXJKK-UHFFFAOYSA-N 1 0 387.387 4.227 20 0 GIADRO COc1ccccc1C[C@H](C)N(C)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455905432 822746057 /nfs/dbraw/zinc/74/60/57/822746057.db2.gz HMZGVZJSZARVCU-KKSFZXQISA-N 1 0 381.520 4.339 20 0 GIADRO CCc1ccc(NC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000455906228 822746415 /nfs/dbraw/zinc/74/64/15/822746415.db2.gz NPZHTKMRUYLQDL-LJQANCHMSA-N 1 0 381.520 4.243 20 0 GIADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2scnc2C2CCCC2)CC1 ZINC000185182497 822746525 /nfs/dbraw/zinc/74/65/25/822746525.db2.gz IXJIBYTXEVHAQO-HNNXBMFYSA-N 1 0 384.549 4.151 20 0 GIADRO Cc1ccccc1CCNC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132486 822747217 /nfs/dbraw/zinc/74/72/17/822747217.db2.gz VIAWFTGDJMVLGE-NKKJXINNSA-N 1 0 394.559 4.142 20 0 GIADRO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132874 822747323 /nfs/dbraw/zinc/74/73/23/822747323.db2.gz KNIHFTTYHFDWHM-LDBYXDLTSA-N 1 0 388.458 4.392 20 0 GIADRO COc1ccc(C)cc1NC(=O)C[N@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133459 822747516 /nfs/dbraw/zinc/74/75/16/822747516.db2.gz LPNVHEFKFWWPRX-WMZHIEFXSA-N 1 0 382.504 4.042 20 0 GIADRO C[C@H](C(=O)NCC1CC[NH+](Cc2cccs2)CC1)c1cn(C)c2ccccc12 ZINC000185195901 822747956 /nfs/dbraw/zinc/74/79/56/822747956.db2.gz MACNWXJSVFHTMB-KRWDZBQOSA-N 1 0 395.572 4.372 20 0 GIADRO C[C@@H](NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)c1cccc(-n2ccnc2)c1 ZINC000455915552 822748544 /nfs/dbraw/zinc/74/85/44/822748544.db2.gz KERWJLPZVACDBM-ZHRRBRCNSA-N 1 0 389.503 4.304 20 0 GIADRO C[C@@H](C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cn(C)c2ccccc12 ZINC000185200216 822748666 /nfs/dbraw/zinc/74/86/66/822748666.db2.gz JUVBOGGVEIRPIO-QZTJIDSGSA-N 1 0 395.572 4.372 20 0 GIADRO CC(C)[C@H](NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)c1nc(C2CC2)no1 ZINC000455916890 822748861 /nfs/dbraw/zinc/74/88/61/822748861.db2.gz KSDNPKBOPMJMTG-MSOLQXFVSA-N 1 0 383.496 4.015 20 0 GIADRO O[C@@H](C[NH+]1CCC(OCc2ccccc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000051181760 822749161 /nfs/dbraw/zinc/74/91/61/822749161.db2.gz FERHYNFCKCQUET-FQEVSTJZSA-N 1 0 379.422 4.420 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CC[C@@H](COCc4ccccc4)C3)ccc21 ZINC000455919661 822749420 /nfs/dbraw/zinc/74/94/20/822749420.db2.gz LLRPBZIAJIAPSM-XXBNENTESA-N 1 0 393.531 4.306 20 0 GIADRO C[C@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455931758 822751767 /nfs/dbraw/zinc/75/17/67/822751767.db2.gz PNNQMBVPOXKCCQ-QPJICYPMSA-N 1 0 379.504 4.091 20 0 GIADRO COc1cc(C[N@H+](C[C@@H](O)c2cccc(F)c2)C2CC2)ccc1OC(F)F ZINC000051262163 822752512 /nfs/dbraw/zinc/75/25/12/822752512.db2.gz XRAMPYSDNZLQFS-QGZVFWFLSA-N 1 0 381.394 4.134 20 0 GIADRO Cc1ccc(CN(C)C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)o1 ZINC000455937165 822753120 /nfs/dbraw/zinc/75/31/20/822753120.db2.gz DDPWTPSLBRRIQN-UHFFFAOYSA-N 1 0 391.899 4.378 20 0 GIADRO CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000051270777 822753231 /nfs/dbraw/zinc/75/32/31/822753231.db2.gz FRAMTYGBODDISG-XZOQPEGZSA-N 1 0 395.547 4.058 20 0 GIADRO C[C@H]1CCCN(C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)[C@H]1C ZINC000455938907 822753435 /nfs/dbraw/zinc/75/34/35/822753435.db2.gz FWXPLWOUGXHXDF-GJZGRUSLSA-N 1 0 379.932 4.465 20 0 GIADRO COc1ccc(C[C@@H](C)C[N@H+](C)C2CCN(CCc3ccccn3)CC2)cc1F ZINC000185242678 822753937 /nfs/dbraw/zinc/75/39/37/822753937.db2.gz BGRSQQJLQKNYLQ-LJQANCHMSA-N 1 0 399.554 4.047 20 0 GIADRO O[C@H](C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)c1ccc(C(F)(F)F)cc1 ZINC000051285216 822754289 /nfs/dbraw/zinc/75/42/89/822754289.db2.gz AKDITKCVMLDOJQ-QZTJIDSGSA-N 1 0 393.405 4.347 20 0 GIADRO CC[N@@H+](Cc1ccc(OC)c(OC)c1)C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000051286405 822754520 /nfs/dbraw/zinc/75/45/20/822754520.db2.gz PYDWWUKDLXEXEG-QGZVFWFLSA-N 1 0 383.410 4.278 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N(Cc3ccco3)C[C@H]3CCCO3)ccc21 ZINC000455943837 822754862 /nfs/dbraw/zinc/75/48/62/822754862.db2.gz VOOYYRNCPKQUEA-CTNGQTDRSA-N 1 0 383.492 4.042 20 0 GIADRO CCOc1cc(C[N@H+](C)C[C@@H](O)c2ccc(F)cc2F)ccc1OC(F)F ZINC000051323840 822756032 /nfs/dbraw/zinc/75/60/32/822756032.db2.gz AINGOXNCVAYNEL-MRXNPFEDSA-N 1 0 387.373 4.130 20 0 GIADRO COc1ccc(C[C@H](C)CNc2ccc(NC(=O)CC[NH+](C)C)cc2)cc1F ZINC000185261878 822756246 /nfs/dbraw/zinc/75/62/46/822756246.db2.gz JPHQRCQQVUJHID-INIZCTEOSA-N 1 0 387.499 4.015 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)N2CCC(C)(C)CC2)CC1 ZINC000455949095 822756386 /nfs/dbraw/zinc/75/63/86/822756386.db2.gz VUGAPEIJQSFVOB-UHFFFAOYSA-N 1 0 379.932 4.467 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1cccc(N2CCOC2=O)c1 ZINC000185281229 822759027 /nfs/dbraw/zinc/75/90/27/822759027.db2.gz HXQYZPFUFBOSCX-GFCCVEGCSA-N 1 0 375.812 4.056 20 0 GIADRO O=C(Nc1ccc2cnccc2c1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000455971739 822759318 /nfs/dbraw/zinc/75/93/18/822759318.db2.gz ODAZSLZIHDHIKM-YADHBBJMSA-N 1 0 386.499 4.221 20 0 GIADRO O=C(Nc1ccc2cnccc2c1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000455971734 822759324 /nfs/dbraw/zinc/75/93/24/822759324.db2.gz ODAZSLZIHDHIKM-FGZHOGPDSA-N 1 0 386.499 4.221 20 0 GIADRO O=C([C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000185284943 822759549 /nfs/dbraw/zinc/75/95/49/822759549.db2.gz NSNSEKMRCQBXAM-QZTJIDSGSA-N 1 0 394.481 4.322 20 0 GIADRO O=S1(=O)CCCN1c1cccc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)c1 ZINC000185295109 822761079 /nfs/dbraw/zinc/76/10/79/822761079.db2.gz IZNJZXFAVFHWQV-HXUWFJFHSA-N 1 0 390.936 4.121 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)N(C)C[C@H]2CCCO[C@H]2c2ccccc2)o1 ZINC000051467829 822761177 /nfs/dbraw/zinc/76/11/77/822761177.db2.gz CBVYHLNDLRCQKW-KNQAVFIVSA-N 1 0 384.520 4.361 20 0 GIADRO C[C@@H](CC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)C(=O)c1cccc(F)c1 ZINC000174281254 822762310 /nfs/dbraw/zinc/76/23/10/822762310.db2.gz FOIAICCBYZQTQS-SFHVURJKSA-N 1 0 396.506 4.063 20 0 GIADRO CC[C@H](NC(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1)c1nc(C(F)(F)F)cs1 ZINC000174284108 822762755 /nfs/dbraw/zinc/76/27/55/822762755.db2.gz ZZQNXVALRYCLTH-AVGNSLFASA-N 1 0 392.491 4.033 20 0 GIADRO Cc1cc(NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)ccc1C(F)(F)F ZINC000174290359 822764175 /nfs/dbraw/zinc/76/41/75/822764175.db2.gz JOZPBVWNYVEHTO-UHFFFAOYSA-N 1 0 392.425 4.195 20 0 GIADRO O[C@@H](c1ccccc1)C1CC[NH+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000051531690 822764590 /nfs/dbraw/zinc/76/45/90/822764590.db2.gz IOTTXDWGPQTAAI-UXHICEINSA-N 1 0 379.422 4.184 20 0 GIADRO COc1ccc(C)cc1NC(=O)[C@H](NC1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000174294645 822765185 /nfs/dbraw/zinc/76/51/85/822765185.db2.gz FYSGKLYBHRFVMR-HSZRJFAPSA-N 1 0 395.547 4.146 20 0 GIADRO C[C@H](c1ccc(C(=O)N[C@@H]2C[N@H+](C)C[C@@H]2c2ccccc2)cc1)C(F)(F)F ZINC000456014536 822766559 /nfs/dbraw/zinc/76/65/59/822766559.db2.gz ZJHAQTAXYIJSGV-NIKGAXFTSA-N 1 0 376.422 4.180 20 0 GIADRO CC[N@H+](CCNC(=O)c1ccc([C@@H](C)C(F)(F)F)cc1)CCC(F)(F)F ZINC000456017829 822766919 /nfs/dbraw/zinc/76/69/19/822766919.db2.gz DQAVHFFDZKDPOI-GFCCVEGCSA-N 1 0 384.364 4.357 20 0 GIADRO CC1(C)CC=C(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)CC1 ZINC000456030084 822768565 /nfs/dbraw/zinc/76/85/65/822768565.db2.gz KPEBXVGHRBWFNR-JOCHJYFZSA-N 1 0 396.575 4.168 20 0 GIADRO Cc1cccn2c(C[NH2+]Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)cnc12 ZINC000174308398 822768611 /nfs/dbraw/zinc/76/86/11/822768611.db2.gz IDMGJBQQRMFELO-UHFFFAOYSA-N 1 0 385.393 4.137 20 0 GIADRO COc1ccccc1-c1ccc(C[NH2+]CCCS(=O)(=O)c2ccccc2)cc1 ZINC000174310841 822769148 /nfs/dbraw/zinc/76/91/48/822769148.db2.gz WLCAWCAZRGBOTM-UHFFFAOYSA-N 1 0 395.524 4.316 20 0 GIADRO CC(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3cccnc3)c2)c2ccc(F)cc2C1 ZINC000185355808 822770330 /nfs/dbraw/zinc/77/03/30/822770330.db2.gz JAIGDLXTOSXIFR-DEOSSOPVSA-N 1 0 389.474 4.471 20 0 GIADRO CC(=O)N1CC[C@H]([NH2+]Cc2ccc(Br)cc2)c2ccc(F)cc2C1 ZINC000185360370 822771285 /nfs/dbraw/zinc/77/12/85/822771285.db2.gz ZPCHPANOBGFDJB-IBGZPJMESA-N 1 0 391.284 4.171 20 0 GIADRO COc1cc(C)c([C@H](C)NC(=O)C[N@@H+]2CCC[C@@H]2c2cccs2)cc1OC ZINC000051653526 822771771 /nfs/dbraw/zinc/77/17/71/822771771.db2.gz GMXZDQRRWXYBLN-DOTOQJQBSA-N 1 0 388.533 4.088 20 0 GIADRO CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2Br)c2ccc(F)cc2C1 ZINC000185366117 822772814 /nfs/dbraw/zinc/77/28/14/822772814.db2.gz NPUCYAXFXJKPNZ-IBGZPJMESA-N 1 0 391.284 4.171 20 0 GIADRO Cc1ncsc1C[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000174333752 822773185 /nfs/dbraw/zinc/77/31/85/822773185.db2.gz NYYXTHBHVLODEE-UHFFFAOYSA-N 1 0 381.339 4.052 20 0 GIADRO CCc1nc(NC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)sc1C ZINC000174336762 822773873 /nfs/dbraw/zinc/77/38/73/822773873.db2.gz QXZRVIOTCSHAGP-UHFFFAOYSA-N 1 0 386.565 4.390 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(Br)cc(OC(C)C)c2)C1 ZINC000174343974 822775402 /nfs/dbraw/zinc/77/54/02/822775402.db2.gz ODFVOIKAHAAUDF-HNNXBMFYSA-N 1 0 397.357 4.040 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(C(C)=O)c1 ZINC000174344985 822775692 /nfs/dbraw/zinc/77/56/92/822775692.db2.gz ZOLOEQRXURVJHS-HXUWFJFHSA-N 1 0 379.504 4.265 20 0 GIADRO C[C@@H](CCNC(=O)N1CCC([NH+]2CCCC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000174361057 822777943 /nfs/dbraw/zinc/77/79/43/822777943.db2.gz SNWCCSUWOCDMNE-INIZCTEOSA-N 1 0 397.485 4.469 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc(-n2cccn2)cc1)C(=O)Nc1cccc2ncccc21 ZINC000174368343 822778980 /nfs/dbraw/zinc/77/89/80/822778980.db2.gz JUBDSFLHELDUKF-IAGOWNOFSA-N 1 0 385.471 4.098 20 0 GIADRO CC(C)c1noc2ncc(C(=O)Nc3ccc4ccn(CC[NH+](C)C)c4c3)cc21 ZINC000174372218 822779817 /nfs/dbraw/zinc/77/98/17/822779817.db2.gz DYEUXSFHGGIYBU-UHFFFAOYSA-N 1 0 391.475 4.115 20 0 GIADRO COCc1ccc(C[NH2+]CCC(=O)Nc2cc(Br)ccc2C)cc1 ZINC000174387946 822782109 /nfs/dbraw/zinc/78/21/09/822782109.db2.gz IXJXBDNLNDEVJX-UHFFFAOYSA-N 1 0 391.309 4.022 20 0 GIADRO COc1cc(C[NH2+]C2(c3ccc(F)cc3)CCOCC2)c(SC)cc1OC ZINC000174390519 822782612 /nfs/dbraw/zinc/78/26/12/822782612.db2.gz BQMQYOVCLHNYMF-UHFFFAOYSA-N 1 0 391.508 4.360 20 0 GIADRO CC[N@@H+](Cc1cnc2c(cnn2C(C)C)c1)CC1CCN(c2ccccn2)CC1 ZINC000174392276 822782955 /nfs/dbraw/zinc/78/29/55/822782955.db2.gz GXOWXPUTHGEXBF-UHFFFAOYSA-N 1 0 392.551 4.146 20 0 GIADRO CC(C)Oc1ccc2ccccc2c1CNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000185434767 822783390 /nfs/dbraw/zinc/78/33/90/822783390.db2.gz MNINXFKNRIQXHC-LJQANCHMSA-N 1 0 395.547 4.254 20 0 GIADRO CC(C)Oc1ccc2ccccc2c1CNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000185434787 822783440 /nfs/dbraw/zinc/78/34/40/822783440.db2.gz MNINXFKNRIQXHC-IBGZPJMESA-N 1 0 395.547 4.254 20 0 GIADRO CC(C)Oc1ccc2ccccc2c1CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000185437192 822783708 /nfs/dbraw/zinc/78/37/08/822783708.db2.gz FOQWHXOQKXECMG-IEBWSBKVSA-N 1 0 383.536 4.251 20 0 GIADRO COc1cc(CN(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1OC(F)F ZINC000174398851 822784289 /nfs/dbraw/zinc/78/42/89/822784289.db2.gz GSZKMXMBIPBRFA-LJQANCHMSA-N 1 0 390.474 4.251 20 0 GIADRO COc1ccc(-c2cnc(CN(C)C[C@H]3CC[N@H+](Cc4ccccc4)C3)o2)cc1 ZINC000174399430 822784369 /nfs/dbraw/zinc/78/43/69/822784369.db2.gz NOXBXLFRVPUZCG-HXUWFJFHSA-N 1 0 391.515 4.304 20 0 GIADRO CCC[C@H]([NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1)c1cccnc1 ZINC000185447139 822785206 /nfs/dbraw/zinc/78/52/06/822785206.db2.gz NAAJDTGDVGTLJH-QFIPXVFZSA-N 1 0 389.503 4.429 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)CCC(=O)c1cc(Cl)sc1Cl ZINC000456159539 822785320 /nfs/dbraw/zinc/78/53/20/822785320.db2.gz ASKGUYVMEAARFU-UHFFFAOYSA-N 1 0 379.353 4.254 20 0 GIADRO COCc1ccccc1C[NH2+]Cc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000174404370 822785627 /nfs/dbraw/zinc/78/56/27/822785627.db2.gz VZWHHNOZZLPXPZ-HXUWFJFHSA-N 1 0 375.896 4.334 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)c2ccccc2Oc2cccnc2)cc1 ZINC000051982950 822785710 /nfs/dbraw/zinc/78/57/10/822785710.db2.gz OSFRBMMRKWLGQD-UHFFFAOYSA-N 1 0 377.444 4.067 20 0 GIADRO COc1cc(C)c([C@@H](C)NC(=O)C[NH2+][C@@H](c2ccccc2)C(C)C)cc1OC ZINC000052006332 822786316 /nfs/dbraw/zinc/78/63/16/822786316.db2.gz ATWJDZQVCUZBCW-UZUQRXQVSA-N 1 0 384.520 4.176 20 0 GIADRO FC(F)(F)c1ccc(-c2noc(CN3CCC([NH+]4CCCCC4)CC3)n2)cc1 ZINC000052003457 822786422 /nfs/dbraw/zinc/78/64/22/822786422.db2.gz HKRXWJFUFMJYCF-UHFFFAOYSA-N 1 0 394.441 4.206 20 0 GIADRO C[C@H](CC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)C(=O)c1cccc(F)c1 ZINC000174411609 822786529 /nfs/dbraw/zinc/78/65/29/822786529.db2.gz MZTHWKHKIPBBCW-MOPGFXCFSA-N 1 0 388.527 4.005 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000456211746 822788283 /nfs/dbraw/zinc/78/82/83/822788283.db2.gz YESMZYHTZRQTPC-UHFFFAOYSA-N 1 0 379.957 4.243 20 0 GIADRO O=C(c1ccccc1Oc1cccnc1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000052027380 822788334 /nfs/dbraw/zinc/78/83/34/822788334.db2.gz DXLJTRYECRNFGZ-UHFFFAOYSA-N 1 0 387.483 4.222 20 0 GIADRO Cc1nn(Cc2ccccc2Cl)c(Cl)c1C[NH2+]C[C@H]1CCC[C@H](O)C1 ZINC000174428893 822788794 /nfs/dbraw/zinc/78/87/94/822788794.db2.gz BRBVEVNTOXAAQD-HOCLYGCPSA-N 1 0 382.335 4.187 20 0 GIADRO O[C@@H]1CCC[C@H](C[NH2+]Cc2csc(-c3cccc(Br)c3)n2)C1 ZINC000174428572 822788818 /nfs/dbraw/zinc/78/88/18/822788818.db2.gz IVVPWHIQCMSGRP-BLLLJJGKSA-N 1 0 381.339 4.213 20 0 GIADRO CC(C)Oc1cccc([C@H](O)C[NH2+][C@@H](C)c2ccc(Br)cc2O)c1 ZINC000185479208 822788973 /nfs/dbraw/zinc/78/89/73/822788973.db2.gz SKTVGHREPZFUAV-ORAYPTAESA-N 1 0 394.309 4.326 20 0 GIADRO COc1ccc(Br)c(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)c1 ZINC000456254034 822790544 /nfs/dbraw/zinc/79/05/44/822790544.db2.gz AQCXWFBCTPGYSL-SFHVURJKSA-N 1 0 389.293 4.259 20 0 GIADRO CC1(C)CCC([NH2+]Cc2cccnc2Oc2cccc(S(C)(=O)=O)c2)CC1 ZINC000174445396 822790636 /nfs/dbraw/zinc/79/06/36/822790636.db2.gz NTVWTVWROCYKTL-UHFFFAOYSA-N 1 0 388.533 4.336 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)c3ccc(F)cc3Br)ccc21 ZINC000456260354 822791132 /nfs/dbraw/zinc/79/11/32/822791132.db2.gz FMSJMABIAFMDOL-KRWDZBQOSA-N 1 0 377.257 4.389 20 0 GIADRO C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)c1 ZINC000456261500 822791280 /nfs/dbraw/zinc/79/12/80/822791280.db2.gz FXZKVSUSXTUGIQ-IFZYUDKTSA-N 1 0 377.488 4.082 20 0 GIADRO C[N@H+](CC1CCC(C(F)(F)F)CC1)C1CCN(CCc2ccccn2)CC1 ZINC000185505363 822791582 /nfs/dbraw/zinc/79/15/82/822791582.db2.gz VRHOBQKJXMKJKP-UHFFFAOYSA-N 1 0 383.502 4.389 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)N2Cc3ccccc3C3(CC3)C2)[C@@H]1c1cccs1 ZINC000185518370 822792778 /nfs/dbraw/zinc/79/27/78/822792778.db2.gz ZSEFVRKRYNCFLV-LAUBAEHRSA-N 1 0 395.572 4.388 20 0 GIADRO Cc1ccc2[nH]c([C@H]3CCCN(C(=O)Nc4cccc(C[NH+](C)C)c4)C3)nc2c1 ZINC000185521484 822793145 /nfs/dbraw/zinc/79/31/45/822793145.db2.gz MNKUFHVOYZNRKJ-SFHVURJKSA-N 1 0 391.519 4.344 20 0 GIADRO CN(C)[C@H](C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)c1c(F)cccc1Cl ZINC000456277473 822793152 /nfs/dbraw/zinc/79/31/52/822793152.db2.gz OKFLOKZYOIBMAD-QUCCMNQESA-N 1 0 389.902 4.269 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)c3ccc(OC4CCOCC4)cc3)ccc21 ZINC000456281348 822793603 /nfs/dbraw/zinc/79/36/03/822793603.db2.gz QYSMXIDWNMSQSN-QFIPXVFZSA-N 1 0 380.488 4.046 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)C3(c4ccc(F)cc4)CCOCC3)ccc21 ZINC000456289106 822794583 /nfs/dbraw/zinc/79/45/83/822794583.db2.gz XEXQKAFFGMHFLY-OAQYLSRUSA-N 1 0 382.479 4.062 20 0 GIADRO Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000456289158 822794592 /nfs/dbraw/zinc/79/45/92/822794592.db2.gz XLGGGLXTHWEOPP-QFIPXVFZSA-N 1 0 382.552 4.276 20 0 GIADRO CC(C)Oc1ccc(NC(=O)NC2CC[NH+](CC3CCCC3)CC2)c(F)c1 ZINC000052263752 822795000 /nfs/dbraw/zinc/79/50/00/822795000.db2.gz CQRYWFMISRVSBR-UHFFFAOYSA-N 1 0 377.504 4.389 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(-c3ccc(F)cc3)nc3ccccc32)C1 ZINC000174494002 822796571 /nfs/dbraw/zinc/79/65/71/822796571.db2.gz LUVWKSDGYLKMHT-KRWDZBQOSA-N 1 0 391.490 4.455 20 0 GIADRO O=C(Nc1c(F)cccc1NC1CC1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000174497202 822796975 /nfs/dbraw/zinc/79/69/75/822796975.db2.gz UUBGPKYYGQCPMW-INIZCTEOSA-N 1 0 385.458 4.390 20 0 GIADRO C[C@@H](C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cn(C)c2ccccc12 ZINC000185569845 822797474 /nfs/dbraw/zinc/79/74/74/822797474.db2.gz GAZVYBDXDXVDLK-CTNGQTDRSA-N 1 0 389.543 4.262 20 0 GIADRO CC(C)Oc1ccc(CNC(=O)C2CC[NH+](C(C)C)CC2)c(C(F)(F)F)c1 ZINC000174503641 822797895 /nfs/dbraw/zinc/79/78/95/822797895.db2.gz CPSDZMYYEOZTPS-UHFFFAOYSA-N 1 0 386.458 4.229 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)NC[C@H](O)c2ccc(-c3ccccc3)cc2)c1 ZINC000185581463 822798885 /nfs/dbraw/zinc/79/88/85/822798885.db2.gz PXCJOITWIKKRBA-QHCPKHFHSA-N 1 0 389.499 4.270 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)c3cccc(F)c3Br)ccc21 ZINC000456333330 822799550 /nfs/dbraw/zinc/79/95/50/822799550.db2.gz UWTCDAXZGJIDCY-INIZCTEOSA-N 1 0 377.257 4.389 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(NC(=O)CC(C)(C)C)ccc2Cl)C1 ZINC000174515141 822799655 /nfs/dbraw/zinc/79/96/55/822799655.db2.gz ZODCZHAMSUAGEA-HNNXBMFYSA-N 1 0 393.959 4.129 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(NC(=O)CC(C)(C)C)ccc2Cl)C1 ZINC000174515155 822799812 /nfs/dbraw/zinc/79/98/12/822799812.db2.gz ZODCZHAMSUAGEA-OAHLLOKOSA-N 1 0 393.959 4.129 20 0 GIADRO Cc1nc(C(F)(F)F)ccc1C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000456338066 822799825 /nfs/dbraw/zinc/79/98/25/822799825.db2.gz OBNDNCUXHGYKJI-HNNXBMFYSA-N 1 0 391.437 4.003 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1cccc(Oc2ccccn2)c1)c1ccc(F)cc1 ZINC000174517859 822799966 /nfs/dbraw/zinc/79/99/66/822799966.db2.gz APMMJVGDSPQLQR-HXUWFJFHSA-N 1 0 394.450 4.437 20 0 GIADRO C[C@@H](CNC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)Cn1cccn1 ZINC000052461002 822800539 /nfs/dbraw/zinc/80/05/39/822800539.db2.gz NBIJKLNDGILWPJ-SFHVURJKSA-N 1 0 383.540 4.105 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)NCCSc2ccccc2)[C@@H]1c1cccs1 ZINC000174525562 822800899 /nfs/dbraw/zinc/80/08/99/822800899.db2.gz MYXHBQRXIFUPON-VQIMIIECSA-N 1 0 389.590 4.223 20 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822802224 /nfs/dbraw/zinc/80/22/24/822802224.db2.gz QOVDTTRSTJPJFH-DYESRHJHSA-N 1 0 386.536 4.459 20 0 GIADRO C[C@@H](C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1)c1cccnc1 ZINC000174535101 822802457 /nfs/dbraw/zinc/80/24/57/822802457.db2.gz MKYSYYVVGHWOGT-GOSISDBHSA-N 1 0 394.519 4.028 20 0 GIADRO CN(C[C@H]1CCCCO1)C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000052522525 822802530 /nfs/dbraw/zinc/80/25/30/822802530.db2.gz NTODFYGRULDCPB-JOCHJYFZSA-N 1 0 395.547 4.126 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)CCC(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000174537119 822802640 /nfs/dbraw/zinc/80/26/40/822802640.db2.gz ZMFVUMUCGKYCAJ-LJQANCHMSA-N 1 0 378.516 4.117 20 0 GIADRO COC(=O)c1cccc(-c2nc(C[NH2+][C@H](C)[C@@H]3COc4ccccc43)cs2)c1 ZINC000185617222 822802768 /nfs/dbraw/zinc/80/27/68/822802768.db2.gz KKEAJGUIQSTPFE-KUHUBIRLSA-N 1 0 394.496 4.251 20 0 GIADRO Cc1onc(-c2ccccc2Cl)c1C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000174541184 822802964 /nfs/dbraw/zinc/80/29/64/822802964.db2.gz MEKJWNIRYRYXII-INIZCTEOSA-N 1 0 387.911 4.251 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1cccc(C)c1C ZINC000185620079 822803106 /nfs/dbraw/zinc/80/31/06/822803106.db2.gz QXYBLJINFJONKK-ZFWWWQNUSA-N 1 0 396.457 4.357 20 0 GIADRO O=C(/C=C/c1ccc2ccc(Cl)cc2n1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000174547792 822803725 /nfs/dbraw/zinc/80/37/25/822803725.db2.gz VFELVLBUVKHYEP-IJDCCNJMSA-N 1 0 383.923 4.236 20 0 GIADRO Cc1ccc(CCC(=O)NC2CC[NH+](C3CCCC3)CC2)c(Br)c1 ZINC000185626296 822803853 /nfs/dbraw/zinc/80/38/53/822803853.db2.gz UUZASUDBLWZPEI-UHFFFAOYSA-N 1 0 393.369 4.213 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)[C@@H]1COc2ccccc21 ZINC000185631106 822804491 /nfs/dbraw/zinc/80/44/91/822804491.db2.gz QEBPTJUXJXJSHM-RISCZKNCSA-N 1 0 398.812 4.452 20 0 GIADRO COC(C)(C)C[C@@H](C)[NH2+]Cc1csc(N(C(C)=O)c2ccc(C)cc2)n1 ZINC000174554842 822804504 /nfs/dbraw/zinc/80/45/04/822804504.db2.gz PXVRSTXTFUGGNH-OAHLLOKOSA-N 1 0 375.538 4.429 20 0 GIADRO COc1cc(C[NH2+][C@H](C)CC(C)(C)OC)cc(Br)c1OC(F)F ZINC000174555691 822804532 /nfs/dbraw/zinc/80/45/32/822804532.db2.gz YSDTXZBAXFPAHN-SNVBAGLBSA-N 1 0 396.272 4.352 20 0 GIADRO CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1COc2ccccc21 ZINC000185633106 822804595 /nfs/dbraw/zinc/80/45/95/822804595.db2.gz BHQWAZDNIYPLDV-QWQRMKEZSA-N 1 0 392.455 4.117 20 0 GIADRO O=C(c1cc(-c2ccc(Cl)s2)on1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000174555287 822804592 /nfs/dbraw/zinc/80/45/92/822804592.db2.gz SOGUWBXCKFLYFS-ZDUSSCGKSA-N 1 0 379.913 4.005 20 0 GIADRO CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1COc2ccccc21 ZINC000185633089 822804648 /nfs/dbraw/zinc/80/46/48/822804648.db2.gz BHQWAZDNIYPLDV-SUNYJGFJSA-N 1 0 392.455 4.117 20 0 GIADRO COc1cc(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)ccc1OCCC(C)C ZINC000174558018 822804809 /nfs/dbraw/zinc/80/48/09/822804809.db2.gz LBMMQFWICQQUDA-LJQANCHMSA-N 1 0 388.552 4.068 20 0 GIADRO COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000185640454 822805685 /nfs/dbraw/zinc/80/56/85/822805685.db2.gz BPQOHSMPUWWNAX-LBPRGKRZSA-N 1 0 380.847 4.181 20 0 GIADRO CCOc1ccccc1NC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000052635926 822805910 /nfs/dbraw/zinc/80/59/10/822805910.db2.gz ADWYWZWVMRNPSS-HXUWFJFHSA-N 1 0 383.492 4.053 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccnc2Cl)cc1OCC ZINC000052659681 822806636 /nfs/dbraw/zinc/80/66/36/822806636.db2.gz FCGDHIWMZUJQPK-KGLIPLIRSA-N 1 0 391.899 4.210 20 0 GIADRO COc1ccc(C)cc1[C@H](C)[NH2+][C@H](C)C(=O)Nc1ccccc1OC(F)F ZINC000052661743 822806747 /nfs/dbraw/zinc/80/67/47/822806747.db2.gz GFYMUVSFELWBIF-UONOGXRCSA-N 1 0 378.419 4.283 20 0 GIADRO CCOc1cccc2cc([C@@H](C)[NH2+][C@H](C)C(=O)Nc3ccc4c(c3)OCO4)oc21 ZINC000052712342 822808178 /nfs/dbraw/zinc/80/81/78/822808178.db2.gz BEPBUOJYQBKIPW-ZIAGYGMSSA-N 1 0 396.443 4.238 20 0 GIADRO C[C@@H]1CCN(C(=O)Nc2ccccc2N2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000174589469 822808847 /nfs/dbraw/zinc/80/88/47/822808847.db2.gz XSLDUHNIGIDUIE-HXUWFJFHSA-N 1 0 392.547 4.415 20 0 GIADRO Cc1ccccc1C(=O)NC1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000052746422 822809217 /nfs/dbraw/zinc/80/92/17/822809217.db2.gz ZHLLLKQFDSUGOB-UHFFFAOYSA-N 1 0 376.422 4.408 20 0 GIADRO Cc1ccccc1C(=O)NC1CC[NH+](CCOc2ccc3ccccc3c2)CC1 ZINC000052747627 822809416 /nfs/dbraw/zinc/80/94/16/822809416.db2.gz KNWUHELVVWDSSS-UHFFFAOYSA-N 1 0 388.511 4.421 20 0 GIADRO C[N@H+](CCSc1nnc(-c2ccncc2)n1C1CC1)Cc1ccc(F)cc1 ZINC000185684844 822809902 /nfs/dbraw/zinc/80/99/02/822809902.db2.gz HKOMKMOFGGIZNI-UHFFFAOYSA-N 1 0 383.496 4.038 20 0 GIADRO CCOc1ccccc1-c1nnc(SCC[N@H+](C)Cc2ccc(F)cc2)o1 ZINC000185684424 822809993 /nfs/dbraw/zinc/80/99/93/822809993.db2.gz SUSYJMZDYSVWQT-UHFFFAOYSA-N 1 0 387.480 4.499 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)CC[N@@H+]1C ZINC000174597668 822810132 /nfs/dbraw/zinc/81/01/32/822810132.db2.gz OIYUPWJJLZWFBX-GOEBONIOSA-N 1 0 398.473 4.252 20 0 GIADRO CC[C@H](Cc1ccccc1)N(C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000174598710 822810282 /nfs/dbraw/zinc/81/02/82/822810282.db2.gz ZUOUXFTUFPNELG-OAQYLSRUSA-N 1 0 394.563 4.232 20 0 GIADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2cc(C3CC3)n(C(C)(C)C)n2)CC1 ZINC000052777228 822810387 /nfs/dbraw/zinc/81/03/87/822810387.db2.gz DTMOKASLBAFWND-UHFFFAOYSA-N 1 0 394.563 4.172 20 0 GIADRO C[C@H](NC(=O)CN[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1cccc2ccccc21 ZINC000185689507 822810392 /nfs/dbraw/zinc/81/03/92/822810392.db2.gz VTHWXEWVZRWYBK-IRFCIJBXSA-N 1 0 393.575 4.260 20 0 GIADRO COc1ccccc1Cc1nnc(SCC[N@H+](C)Cc2ccc(F)cc2)o1 ZINC000185691134 822810560 /nfs/dbraw/zinc/81/05/60/822810560.db2.gz BEVWBBPXDJCACY-UHFFFAOYSA-N 1 0 387.480 4.032 20 0 GIADRO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+][C@H](C)c2cccc(N3CCCC3)c2)cc1 ZINC000185691708 822810653 /nfs/dbraw/zinc/81/06/53/822810653.db2.gz HLNDWRYRFNOKDS-RTBURBONSA-N 1 0 386.561 4.108 20 0 GIADRO Cc1cc(C[NH2+]C2CCC(O)(c3cccnc3)CC2)cc(C)c1OC(F)F ZINC000185692576 822810743 /nfs/dbraw/zinc/81/07/43/822810743.db2.gz LYJBEYFRRJAQCS-UHFFFAOYSA-N 1 0 376.447 4.220 20 0 GIADRO COc1cc(C[NH2+]C[C@@H](C)Oc2ccc(F)cc2)ccc1OCc1ccncc1 ZINC000174602911 822810919 /nfs/dbraw/zinc/81/09/19/822810919.db2.gz SCBBQBKYSVRWAW-QGZVFWFLSA-N 1 0 396.462 4.365 20 0 GIADRO CC(C)[C@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(C(F)(F)F)c1 ZINC000174608518 822811917 /nfs/dbraw/zinc/81/19/17/822811917.db2.gz UDKNTMQAXNWLJQ-SQNIBIBYSA-N 1 0 383.458 4.281 20 0 GIADRO Cc1cc(C)c(NC(=O)CN[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(Cl)c1 ZINC000185710709 822812886 /nfs/dbraw/zinc/81/28/86/822812886.db2.gz HYFUIJISXNUJCA-IRXDYDNUSA-N 1 0 377.960 4.138 20 0 GIADRO CC[N@H+](CCC(=O)Nc1cc(Cl)ccc1OC)[C@@H](C)c1cccc(O)c1 ZINC000174615764 822812995 /nfs/dbraw/zinc/81/29/95/822812995.db2.gz LCTOGQJYGMXLQR-AWEZNQCLSA-N 1 0 376.884 4.466 20 0 GIADRO O=C(c1ccc(C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)cc1)N1CCCC1 ZINC000052866155 822813246 /nfs/dbraw/zinc/81/32/46/822813246.db2.gz VFRIDNSMOPPVPS-QHCPKHFHSA-N 1 0 378.516 4.104 20 0 GIADRO COc1ccccc1[C@@H](C[NH2+]C1CCN(Cc2ccccc2)CC1)OC(C)C ZINC000185725328 822814849 /nfs/dbraw/zinc/81/48/49/822814849.db2.gz DVZAVTSPSCPIFH-XMMPIXPASA-N 1 0 382.548 4.416 20 0 GIADRO CCOc1ccc(NC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1OC ZINC000174632669 822814997 /nfs/dbraw/zinc/81/49/97/822814997.db2.gz WLPXVLGIGSFQQH-ZWKOTPCHSA-N 1 0 389.540 4.212 20 0 GIADRO C[C@H](NCc1cc(=O)oc2cc3c(cc12)CCC3)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185728416 822815276 /nfs/dbraw/zinc/81/52/76/822815276.db2.gz WGVVLCQBGWVMLZ-LPHOPBHVSA-N 1 0 380.532 4.024 20 0 GIADRO CC(C)(CCS(C)(=O)=O)[NH2+]Cc1cccc(OCc2ccccc2Cl)c1 ZINC000174641125 822816187 /nfs/dbraw/zinc/81/61/87/822816187.db2.gz BLXNSCFCPXUIBK-UHFFFAOYSA-N 1 0 395.952 4.222 20 0 GIADRO CCC[NH+]1CCC(NC(=O)c2sc(-c3ccc(Cl)cc3)nc2C)CC1 ZINC000052952824 822816517 /nfs/dbraw/zinc/81/65/17/822816517.db2.gz HKUJRVOLFFEGIB-UHFFFAOYSA-N 1 0 377.941 4.376 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)Cc1csc(-c2ccccc2Cl)n1 ZINC000052954869 822816714 /nfs/dbraw/zinc/81/67/14/822816714.db2.gz QTAMKIWAEMGEIB-OAHLLOKOSA-N 1 0 391.968 4.387 20 0 GIADRO Cc1cc(-c2noc([C@H](C)N[C@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)n2)ccc1F ZINC000185749219 822817443 /nfs/dbraw/zinc/81/74/43/822817443.db2.gz FGPTYEWSPWWGIW-SOLBZPMBSA-N 1 0 386.515 4.488 20 0 GIADRO CCC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000052993760 822817948 /nfs/dbraw/zinc/81/79/48/822817948.db2.gz DABSVRSAOLPZPU-KGLIPLIRSA-N 1 0 377.916 4.354 20 0 GIADRO C[N@H+](Cc1ccc(Cl)c2cccnc12)C1CCN(CCc2ccccn2)CC1 ZINC000174655112 822818615 /nfs/dbraw/zinc/81/86/15/822818615.db2.gz HCYSAEWBXUQMIR-UHFFFAOYSA-N 1 0 394.950 4.422 20 0 GIADRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)N2CC3(CCC3)[C@@H]2c2ccco2)[C@H](C(F)(F)F)C1 ZINC000456593238 822818676 /nfs/dbraw/zinc/81/86/76/822818676.db2.gz RUCVNAXWVVGVKD-FMKPAKJESA-N 1 0 384.442 4.242 20 0 GIADRO Cc1c2cccc(C)c2oc1C(=O)Nc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000053051930 822819854 /nfs/dbraw/zinc/81/98/54/822819854.db2.gz CNVXPSSEWUPELQ-UHFFFAOYSA-N 1 0 377.488 4.049 20 0 GIADRO CC[N@H+](CC(=O)NCC1(c2ccccc2)CCOCC1)[C@H](C)c1ccc(F)cc1 ZINC000053088988 822821203 /nfs/dbraw/zinc/82/12/03/822821203.db2.gz HVJBAYJTNOJDEH-LJQANCHMSA-N 1 0 398.522 4.073 20 0 GIADRO Cc1oc2ccccc2c1C(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000185789653 822821435 /nfs/dbraw/zinc/82/14/35/822821435.db2.gz VQIMFTUCYBPLJR-IAGOWNOFSA-N 1 0 384.520 4.093 20 0 GIADRO CC(C)[NH+]1CCC(C(=O)N[C@@H](COc2ccccc2F)c2ccccc2)CC1 ZINC000174671642 822821539 /nfs/dbraw/zinc/82/15/39/822821539.db2.gz BVCJRWNPKIRTFW-NRFANRHFSA-N 1 0 384.495 4.182 20 0 GIADRO CCCCn1cc(C(=O)Nc2ccc(OCC[NH+]3CCCC3)c(C)c2)c(C)n1 ZINC000185791441 822821568 /nfs/dbraw/zinc/82/15/68/822821568.db2.gz IEGWAAOSJDRFPE-UHFFFAOYSA-N 1 0 384.524 4.027 20 0 GIADRO Cc1ccc(OCc2ccc(C(=O)NC3CC[NH+](C4CCC4)CC3)o2)c(C)c1 ZINC000456685202 822822590 /nfs/dbraw/zinc/82/25/90/822822590.db2.gz QPMJGAWFQYBEAB-UHFFFAOYSA-N 1 0 382.504 4.222 20 0 GIADRO CCn1cc([C@@H](C)NC(=O)[C@@H](c2cccc(C(F)(F)F)c2)[NH+](CC)CC)cn1 ZINC000456693900 822823501 /nfs/dbraw/zinc/82/35/01/822823501.db2.gz NPEGKBLLPUMXJE-RDTXWAMCSA-N 1 0 396.457 4.182 20 0 GIADRO CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)c2cc(=O)[nH]c3ccc(F)cc32)CC1 ZINC000456699879 822824302 /nfs/dbraw/zinc/82/43/02/822824302.db2.gz TVKLKRXPBHQSAA-UHFFFAOYSA-N 1 0 387.499 4.052 20 0 GIADRO O=C(CCCCc1ccc(Br)cc1)NC1CC[NH+](C2CCC2)CC1 ZINC000456700893 822824438 /nfs/dbraw/zinc/82/44/38/822824438.db2.gz OYLBXYZQRGSHKW-UHFFFAOYSA-N 1 0 393.369 4.295 20 0 GIADRO COc1ccc2c(c1)nc(C[NH2+]Cc1cc(C)c(OC(F)F)c(C)c1)n2C ZINC000185833547 822825534 /nfs/dbraw/zinc/82/55/34/822825534.db2.gz CDASMNQRHFYBST-UHFFFAOYSA-N 1 0 375.419 4.090 20 0 GIADRO Cc1c(C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)[nH]c2c1C(=O)CCC2 ZINC000053189681 822825639 /nfs/dbraw/zinc/82/56/39/822825639.db2.gz VTIVLEOFKCDXGX-OAHLLOKOSA-N 1 0 379.504 4.326 20 0 GIADRO CCCc1noc(CCCC(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)n1 ZINC000053191158 822825695 /nfs/dbraw/zinc/82/56/95/822825695.db2.gz WIAAMUUOHSEVSZ-KRWDZBQOSA-N 1 0 384.524 4.215 20 0 GIADRO CC(C)CN(C(=O)c1ccc(C2SCCS2)cc1)C1CC[NH+](C)CC1 ZINC000053230980 822827141 /nfs/dbraw/zinc/82/71/41/822827141.db2.gz PCXUZNGVXVFFOM-UHFFFAOYSA-N 1 0 378.607 4.358 20 0 GIADRO CCC(CC)n1ncc(C(=O)Nc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)c1C ZINC000185850348 822827262 /nfs/dbraw/zinc/82/72/62/822827262.db2.gz SNRCJJJJQVSQEM-UHFFFAOYSA-N 1 0 399.539 4.004 20 0 GIADRO CC[NH+](CC)[C@H](C(=O)NCc1cnc(C2CC2)o1)c1cccc(C(F)(F)F)c1 ZINC000456755097 822829357 /nfs/dbraw/zinc/82/93/57/822829357.db2.gz AXTARYDRHRCPPH-KRWDZBQOSA-N 1 0 395.425 4.270 20 0 GIADRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NCc2cnc(C3CC3)o2)c1 ZINC000456757010 822829452 /nfs/dbraw/zinc/82/94/52/822829452.db2.gz FWHBZUVSRIWJCU-UHFFFAOYSA-N 1 0 375.472 4.114 20 0 GIADRO O=C(CCCc1cccc(C(F)(F)F)c1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000185885121 822830021 /nfs/dbraw/zinc/83/00/21/822830021.db2.gz GKTBBYHBNINWNC-SFHVURJKSA-N 1 0 382.470 4.363 20 0 GIADRO O=C(Cc1nc(-c2ccc(F)cc2)cs1)NCCCCC[NH+]1CCCCC1 ZINC000185889081 822830259 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CCc1ccc([C@@H]([NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)C(C)C)cc1 ZINC000186040750 822846382 /nfs/dbraw/zinc/84/63/82/822846382.db2.gz DBKXODMTGOHEAW-QFIPXVFZSA-N 1 0 386.561 4.276 20 0 GIADRO CN(C(=O)CCSCc1ccccc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457070913 822849920 /nfs/dbraw/zinc/84/99/20/822849920.db2.gz PODKDBCRDOZJJH-UHFFFAOYSA-N 1 0 388.499 4.185 20 0 GIADRO CN(C(=O)c1cc(O)c2ccccc2c1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457071550 822850020 /nfs/dbraw/zinc/85/00/20/822850020.db2.gz QHYRYYSKIODTMK-UHFFFAOYSA-N 1 0 380.410 4.034 20 0 GIADRO Cc1nc2cc(F)ccc2cc1C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457078654 822850633 /nfs/dbraw/zinc/85/06/33/822850633.db2.gz DNZSNNKSJVERSA-UHFFFAOYSA-N 1 0 397.416 4.171 20 0 GIADRO CN(C(=O)Cc1csc2ccccc12)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457081880 822851046 /nfs/dbraw/zinc/85/10/46/822851046.db2.gz HWXZAKFQKVAIHH-UHFFFAOYSA-N 1 0 384.467 4.319 20 0 GIADRO C[C@@H](Cc1ccccc1Cl)C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457083337 822851321 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GIADRO Cc1cccc(OCC[NH2+][C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)c1 ZINC000174901092 822852857 /nfs/dbraw/zinc/85/28/57/822852857.db2.gz PAHWPQDOENJAAM-QHCPKHFHSA-N 1 0 395.524 4.157 20 0 GIADRO CN(C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457093972 822852862 /nfs/dbraw/zinc/85/28/62/822852862.db2.gz ZBIALVRAGBQNCD-IAGOWNOFSA-N 1 0 388.861 4.319 20 0 GIADRO Cc1ccc([C@@H]([NH2+]CCOc2ccccc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000174901536 822852918 /nfs/dbraw/zinc/85/29/18/822852918.db2.gz VALDUVOAINJOMZ-HSZRJFAPSA-N 1 0 395.524 4.157 20 0 GIADRO COc1ccc([C@@H]([NH2+]CC2CCCCC2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000174902305 822853071 /nfs/dbraw/zinc/85/30/71/822853071.db2.gz NVVJNSRTQBOXIT-JOCHJYFZSA-N 1 0 387.545 4.358 20 0 GIADRO Cc1cc(C)c(NC(=O)C[N@H+](CCCO)[C@@H]2CCCc3ccccc32)c(C)c1 ZINC000174904759 822853505 /nfs/dbraw/zinc/85/35/05/822853505.db2.gz SDQMBEZPQJPXAV-JOCHJYFZSA-N 1 0 380.532 4.312 20 0 GIADRO COc1ccsc1[C@H](C)[NH2+]C[C@@H](O)COc1cccc(Cl)c1Cl ZINC000186126159 822853893 /nfs/dbraw/zinc/85/38/93/822853893.db2.gz QHVXMJNAHBCCNL-WDEREUQCSA-N 1 0 376.305 4.154 20 0 GIADRO Cc1nc(CSc2ccc(C(=O)N(C)[C@H]3CC[N@@H+](C(C)C)C3)cc2)cs1 ZINC000457109468 822853904 /nfs/dbraw/zinc/85/39/04/822853904.db2.gz GXMWHSSWFPOYHI-SFHVURJKSA-N 1 0 389.590 4.299 20 0 GIADRO Cc1cnccc1CNC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000186133396 822854471 /nfs/dbraw/zinc/85/44/71/822854471.db2.gz PZPKIIOBDFFGPY-UHFFFAOYSA-N 1 0 388.515 4.118 20 0 GIADRO CC(C)(CNC(=O)N1CCC[C@H]1c1nc2ccccc2s1)[NH+]1CCCCC1 ZINC000053964752 822854798 /nfs/dbraw/zinc/85/47/98/822854798.db2.gz LFMJGOLOUMKHLB-KRWDZBQOSA-N 1 0 386.565 4.407 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)CCc2ccc([C@H]3C[C@@H]3C)o2)CC1 ZINC000053968161 822854880 /nfs/dbraw/zinc/85/48/80/822854880.db2.gz MJNFUNGMMQPQHN-AVRDEDQJSA-N 1 0 380.532 4.425 20 0 GIADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)Cc2csc(-c3ccc(Cl)s3)n2)C1 ZINC000457120201 822855205 /nfs/dbraw/zinc/85/52/05/822855205.db2.gz NWYJBBDMKXXYSS-ZDUSSCGKSA-N 1 0 383.970 4.009 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/nfs/dbraw/zinc/85/84/01/822858401.db2.gz JOFPGXYMZXHQQS-UHFFFAOYSA-N 1 0 379.298 4.108 20 0 GIADRO Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000457170470 822858756 /nfs/dbraw/zinc/85/87/56/822858756.db2.gz QMZSVKDGNSNPEJ-UHFFFAOYSA-N 1 0 379.476 4.001 20 0 GIADRO Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCCCC[N@@H+](C)C2CC2)o1 ZINC000457171928 822858955 /nfs/dbraw/zinc/85/89/55/822858955.db2.gz JDZYEBXSIOMGQK-UHFFFAOYSA-N 1 0 392.503 4.045 20 0 GIADRO Cc1cc(C(=O)N2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)on1 ZINC000457191843 822859557 /nfs/dbraw/zinc/85/95/57/822859557.db2.gz ANLWNYJHORNPGE-NRFANRHFSA-N 1 0 381.520 4.280 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000174946698 822859625 /nfs/dbraw/zinc/85/96/25/822859625.db2.gz DUUZAFXGCKGXJB-HNNXBMFYSA-N 1 0 392.341 4.268 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)c2ccc(NC(=O)[C@@H]3C[C@@H]3C)cc2)c1 ZINC000054032617 822859794 /nfs/dbraw/zinc/85/97/94/822859794.db2.gz MCBUBGNXCRVOHV-HTAPYJJXSA-N 1 0 393.531 4.053 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)CCC(=O)c2ccc(F)cc2F)c1 ZINC000054032796 822859798 /nfs/dbraw/zinc/85/97/98/822859798.db2.gz AKAKOOCQHLJBJK-UHFFFAOYSA-N 1 0 388.458 4.086 20 0 GIADRO O=C([C@@H]1CCC[C@H](O)C1)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457193370 822859831 /nfs/dbraw/zinc/85/98/31/822859831.db2.gz IGOJNUUZCVHBQK-TZRRMPRUSA-N 1 0 398.591 4.221 20 0 GIADRO Cc1cc(C(=O)N2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)no1 ZINC000457193761 822859950 /nfs/dbraw/zinc/85/99/50/822859950.db2.gz IZDHIYUNPDSJTM-JOCHJYFZSA-N 1 0 381.520 4.280 20 0 GIADRO CC(=O)CCCC(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457194490 822859956 /nfs/dbraw/zinc/85/99/56/822859956.db2.gz LCLHFXVMLABZTM-HSZRJFAPSA-N 1 0 384.564 4.429 20 0 GIADRO CSCCCCCNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000186198549 822860043 /nfs/dbraw/zinc/86/00/43/822860043.db2.gz PAVOEWIGITYZEO-UHFFFAOYSA-N 1 0 383.989 4.137 20 0 GIADRO O=C([C@@H]1CCCOCC1)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457194638 822860101 /nfs/dbraw/zinc/86/01/01/822860101.db2.gz MRIXPPHWPHHQAP-RPWUZVMVSA-N 1 0 398.591 4.487 20 0 GIADRO Cn1cccc1C(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457197134 822860157 /nfs/dbraw/zinc/86/01/57/822860157.db2.gz SRHMWNGKHUEDLI-JOCHJYFZSA-N 1 0 379.548 4.322 20 0 GIADRO Cc1nc(-c2ccc(Cl)s2)sc1C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000457201931 822860424 /nfs/dbraw/zinc/86/04/24/822860424.db2.gz MPSDFJHSIXGCJJ-UHFFFAOYSA-N 1 0 383.970 4.438 20 0 GIADRO COc1cc(C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1OC(C)C ZINC000174952769 822860401 /nfs/dbraw/zinc/86/04/01/822860401.db2.gz XLJRQVAOVFFUEX-FQEVSTJZSA-N 1 0 396.531 4.077 20 0 GIADRO C[C@@](O)(CC(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000457198288 822860504 /nfs/dbraw/zinc/86/05/04/822860504.db2.gz YRRVJDYWIFDBGM-ILBGXUMGSA-N 1 0 398.591 4.221 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc2ccc(Cl)cc2[nH]1 ZINC000174954500 822860716 /nfs/dbraw/zinc/86/07/16/822860716.db2.gz DBAMYOTWPJYQHO-KRWDZBQOSA-N 1 0 381.907 4.415 20 0 GIADRO C[C@H]([NH2+][C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1)c1cc(Cl)ccc1O ZINC000186206493 822860950 /nfs/dbraw/zinc/86/09/50/822860950.db2.gz QHWCOLFTENLLFV-QTJFZDIUSA-N 1 0 395.330 4.422 20 0 GIADRO CC[C@@H](Cc1cccc(Br)c1)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000457213402 822860955 /nfs/dbraw/zinc/86/09/55/822860955.db2.gz YXTWSTHSLPWDFV-INIZCTEOSA-N 1 0 381.358 4.008 20 0 GIADRO Cc1ccc(NC(=O)Cc2ccc(CC(C)C)cc2)cc1NC(=O)CC[NH+](C)C ZINC000186208752 822861088 /nfs/dbraw/zinc/86/10/88/822861088.db2.gz GNJIGOZEOWUWJQ-UHFFFAOYSA-N 1 0 395.547 4.265 20 0 GIADRO C[N@@H+]1CCCN(c2ccc(NC(=O)Cn3ccc4ccc(Cl)cc43)cc2)CC1 ZINC000054083023 822861687 /nfs/dbraw/zinc/86/16/87/822861687.db2.gz GRHOCWJXNWIARB-UHFFFAOYSA-N 1 0 396.922 4.075 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccccc1OCC1CC1 ZINC000174962351 822862028 /nfs/dbraw/zinc/86/20/28/822862028.db2.gz ZAUNFUDQFGOZMS-NRFANRHFSA-N 1 0 378.516 4.070 20 0 GIADRO O=C(NCc1ccc(C(F)(F)F)cc1)NCc1ccccc1C[NH+]1CCCC1 ZINC000054092943 822862037 /nfs/dbraw/zinc/86/20/37/822862037.db2.gz RVSVWNBPWBQDCQ-UHFFFAOYSA-N 1 0 391.437 4.301 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(OC(C)C)c(OC)c1)c1ccco1 ZINC000186220460 822862104 /nfs/dbraw/zinc/86/21/04/822862104.db2.gz MDQMWCQNAVWOSW-QGZVFWFLSA-N 1 0 389.496 4.280 20 0 GIADRO Cc1ccc(NC(=O)[C@H](Cc2ccccc2)C(C)C)cc1NC(=O)CC[NH+](C)C ZINC000186247486 822864578 /nfs/dbraw/zinc/86/45/78/822864578.db2.gz CAUHGRUCRNRRAV-OAQYLSRUSA-N 1 0 395.547 4.339 20 0 GIADRO COc1cc(NC(=O)N(CC[NH+](C)C)Cc2ccccc2)ccc1OC(C)C ZINC000186251593 822865112 /nfs/dbraw/zinc/86/51/12/822865112.db2.gz JBKSHXSCLCQEJJ-UHFFFAOYSA-N 1 0 385.508 4.078 20 0 GIADRO CCC(=O)Nc1ccc(Cl)c(NC(=O)N[C@H](C)C[NH+]2CCCCCC2)c1 ZINC000186253028 822865200 /nfs/dbraw/zinc/86/52/00/822865200.db2.gz HOFPIIHVVSVCEU-CQSZACIVSA-N 1 0 380.920 4.075 20 0 GIADRO Cc1ccc(NC(=O)CCc2ccccc2Cl)cc1NC(=O)CC[NH+](C)C ZINC000186254836 822865527 /nfs/dbraw/zinc/86/55/27/822865527.db2.gz OJDXEQNBRIBBCW-UHFFFAOYSA-N 1 0 387.911 4.110 20 0 GIADRO O=c1[nH]c(CC[N@@H+]2CCc3sccc3[C@H]2c2cccs2)nc2ccccc21 ZINC000054172876 822865664 /nfs/dbraw/zinc/86/56/64/822865664.db2.gz BIFMAKYJEMJGGB-FQEVSTJZSA-N 1 0 393.537 4.236 20 0 GIADRO CC(C)[C@@H](NC(=O)c1ccc(C[NH+](C)C)nc1)c1cccc(C(F)(F)F)c1 ZINC000568964157 822865710 /nfs/dbraw/zinc/86/57/10/822865710.db2.gz WOFYVAIMTVCUFF-GOSISDBHSA-N 1 0 379.426 4.289 20 0 GIADRO O=C(Nc1ccc2c(c1)CN(CC(F)(F)F)C2)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000457323586 822865799 /nfs/dbraw/zinc/86/57/99/822865799.db2.gz HSTNBDWONKBSAX-IBGZPJMESA-N 1 0 395.469 4.300 20 0 GIADRO Cc1ccc(NC(=O)[C@H](c2ccccc2)C2CC2)cc1NC(=O)CC[NH+](C)C ZINC000186259732 822866307 /nfs/dbraw/zinc/86/63/07/822866307.db2.gz IOJGDLQTEOCGHC-JOCHJYFZSA-N 1 0 379.504 4.018 20 0 GIADRO C[C@H](NC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)c1nc(-c2ccccc2)cs1 ZINC000568971586 822866536 /nfs/dbraw/zinc/86/65/36/822866536.db2.gz LHTZDHHAMKAQLJ-YJBOKZPZSA-N 1 0 384.549 4.187 20 0 GIADRO CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2ccc(C[NH+](CC)CC)cc2)cc1 ZINC000054194670 822867157 /nfs/dbraw/zinc/86/71/57/822867157.db2.gz YNMAIKBYJMIAEE-QGZVFWFLSA-N 1 0 381.520 4.309 20 0 GIADRO Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)NCc2cccc(C[NH+](C)C)c2)cc1 ZINC000175012330 822867184 /nfs/dbraw/zinc/86/71/84/822867184.db2.gz BLXFPTPZECSBBS-DHIUTWEWSA-N 1 0 395.547 4.024 20 0 GIADRO Cc1ccc(-n2ncc(NC(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)c2C(C)C)cc1 ZINC000568984435 822867595 /nfs/dbraw/zinc/86/75/95/822867595.db2.gz RPVIEMZYHIZXAJ-IBGZPJMESA-N 1 0 395.551 4.254 20 0 GIADRO Cc1cccnc1NC(=O)C1CC[NH+](Cc2ccc(Cl)c3cccnc23)CC1 ZINC000054208169 822868361 /nfs/dbraw/zinc/86/83/61/822868361.db2.gz UYZDAOAKMAZVNR-UHFFFAOYSA-N 1 0 394.906 4.442 20 0 GIADRO Cc1nc([C@H]2CCCN2C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cs1 ZINC000186274623 822868593 /nfs/dbraw/zinc/86/85/93/822868593.db2.gz DVTPGLWVKDPTSP-OAQYLSRUSA-N 1 0 398.576 4.271 20 0 GIADRO C[C@H](Cc1cccs1)NC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000175020455 822868677 /nfs/dbraw/zinc/86/86/77/822868677.db2.gz LRZJTLSUDAFMNH-RKVPGOIHSA-N 1 0 377.579 4.123 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)CC1 ZINC000175021327 822868750 /nfs/dbraw/zinc/86/87/50/822868750.db2.gz ARENVERYACGXJU-RBUKOAKNSA-N 1 0 384.470 4.191 20 0 GIADRO CC(C)CN(C(=O)[C@H]1CCc2cc(Br)ccc21)C1CC[NH+](C)CC1 ZINC000569004394 822868749 /nfs/dbraw/zinc/86/87/49/822868749.db2.gz CVTWGQLRTIXYCZ-IBGZPJMESA-N 1 0 393.369 4.058 20 0 GIADRO CCn1c(-c2ncccc2C)nnc1N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000569006101 822869041 /nfs/dbraw/zinc/86/90/41/822869041.db2.gz IZGHXKMROAHTFE-IBGZPJMESA-N 1 0 396.583 4.149 20 0 GIADRO Cc1nc(NC(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)sc1C(F)(F)F ZINC000569006327 822869073 /nfs/dbraw/zinc/86/90/73/822869073.db2.gz OXEPWQNLDPNEOB-GFCCVEGCSA-N 1 0 390.406 4.034 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH]c3=S)cc2)C1 ZINC000054222980 822869153 /nfs/dbraw/zinc/86/91/53/822869153.db2.gz QKFFCBAUAMNBQF-APWZRJJASA-N 1 0 392.528 4.100 20 0 GIADRO Cc1onc(-c2ccc(F)cc2)c1C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000054223413 822869230 /nfs/dbraw/zinc/86/92/30/822869230.db2.gz BCAZUPVDSOAXGJ-YWZLYKJASA-N 1 0 393.462 4.354 20 0 GIADRO Cc1nc(-c2c[nH]c(C(=O)N[C@@H]3CC[N@@H+]([C@@H](C)c4ccccc4)C3)c2)cs1 ZINC000054224765 822869613 /nfs/dbraw/zinc/86/96/13/822869613.db2.gz FXURZBUBCMCPBK-KBXCAEBGSA-N 1 0 380.517 4.012 20 0 GIADRO C[C@H]1CCN(C(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)[C@@H](C)[C@H]1[NH3+] ZINC000457366993 822870700 /nfs/dbraw/zinc/87/07/00/822870700.db2.gz WBSRYVXMNLVPQE-ZKTNFTSUSA-N 1 0 396.318 4.165 20 0 GIADRO COc1ccc([C@@H]2CCN(C(=O)c3c(Cl)cccc3Cl)C[C@H]2[NH3+])cc1F ZINC000457367883 822870729 /nfs/dbraw/zinc/87/07/29/822870729.db2.gz FCSLYOHCNSOPLQ-BLLLJJGKSA-N 1 0 397.277 4.098 20 0 GIADRO CCc1cc(N2CCC([NH2+][C@@H](C)c3ccc(OC(F)(F)F)cc3)CC2)ncn1 ZINC000175030334 822870929 /nfs/dbraw/zinc/87/09/29/822870929.db2.gz NFZFVMJKHSPBBN-AWEZNQCLSA-N 1 0 394.441 4.257 20 0 GIADRO C[C@@H](NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)c1ccc(F)c(F)c1 ZINC000457372085 822871168 /nfs/dbraw/zinc/87/11/68/822871168.db2.gz HRXWFOOZDTZHMR-GFCCVEGCSA-N 1 0 393.400 4.084 20 0 GIADRO Cc1nc(-c2cccc(C(=O)N3CC[C@H](c4ccc(F)cc4)[C@H]([NH3+])C3)c2)cs1 ZINC000457376610 822871301 /nfs/dbraw/zinc/87/13/01/822871301.db2.gz ZDZLWZPUZGGMRT-WOJBJXKFSA-N 1 0 395.503 4.215 20 0 GIADRO COc1ccc([C@@H]2CCN(C(=O)c3occc3-c3ccccc3)C[C@@H]2[NH3+])cc1F ZINC000457379124 822871396 /nfs/dbraw/zinc/87/13/96/822871396.db2.gz NQRNHPJYIKDYDO-PXNSSMCTSA-N 1 0 394.446 4.051 20 0 GIADRO CCc1ccc2occ(C(=O)N3CC[C@H](c4ccc(OC)c(F)c4)[C@@H]([NH3+])C3)c2c1 ZINC000457385294 822872053 /nfs/dbraw/zinc/87/20/53/822872053.db2.gz SFEGGXQPIXSWSC-UZLBHIALSA-N 1 0 396.462 4.100 20 0 GIADRO O=c1[nH]c(CC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C2CC2)nc2ccccc21 ZINC000054271552 822872213 /nfs/dbraw/zinc/87/22/13/822872213.db2.gz REOHAZQIQXXWER-UHFFFAOYSA-N 1 0 388.298 4.437 20 0 GIADRO COc1ccc([C@@H]2CCN(C(=O)c3cc(Cl)ccc3Cl)C[C@H]2[NH3+])cc1F ZINC000457390414 822872458 /nfs/dbraw/zinc/87/24/58/822872458.db2.gz XJHGRURAJDVXIS-SUMWQHHRSA-N 1 0 397.277 4.098 20 0 GIADRO Cc1ccc(C(=O)C2CC[NH+](Cc3ccc(C(=O)N4CCCC4)cc3)CC2)cc1 ZINC000054299018 822873957 /nfs/dbraw/zinc/87/39/57/822873957.db2.gz YCLFVALROCPYQK-UHFFFAOYSA-N 1 0 390.527 4.326 20 0 GIADRO C[C@H](c1nc(-c2ccccc2)no1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000569054336 822874519 /nfs/dbraw/zinc/87/45/19/822874519.db2.gz HPBHXVRFGGVWRV-COPCDDAFSA-N 1 0 388.515 4.252 20 0 GIADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)NC[C@H]1CSc2ccccc21 ZINC000457448022 822875978 /nfs/dbraw/zinc/87/59/78/822875978.db2.gz FLSZDIFMMSDVTL-RDJZCZTQSA-N 1 0 387.574 4.074 20 0 GIADRO CC[C@H](CC(F)F)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000457450943 822876196 /nfs/dbraw/zinc/87/61/96/822876196.db2.gz GJOHPWYHNKUOEJ-OAHLLOKOSA-N 1 0 381.467 4.121 20 0 GIADRO Cn1cc(-c2ncc(C[NH2+][C@H]3CCC[C@@H](c4ccc(Cl)cc4)C3)cn2)cn1 ZINC000569069677 822876495 /nfs/dbraw/zinc/87/64/95/822876495.db2.gz AYGYHUHWTRZQRI-XLIONFOSSA-N 1 0 381.911 4.347 20 0 GIADRO Cc1ccc(C(=O)CC(C)(C)CC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000186330544 822877157 /nfs/dbraw/zinc/87/71/57/822877157.db2.gz KEZQRGGYOCMDTN-OAQYLSRUSA-N 1 0 384.564 4.461 20 0 GIADRO OC1(c2cccnc2)CCC([NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000186333147 822877446 /nfs/dbraw/zinc/87/74/46/822877446.db2.gz WMAHDAYNPPPRAB-HMXGKDEJSA-N 1 0 378.516 4.204 20 0 GIADRO CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000569077108 822877484 /nfs/dbraw/zinc/87/74/84/822877484.db2.gz MIBLLKYRTSNWDC-VWNXMTODSA-N 1 0 394.515 4.268 20 0 GIADRO Cc1cc(C)c(NC(=O)[C@@H](C)[NH2+][C@@H](C)C2CCN(CC(F)(F)F)CC2)c(C)c1 ZINC000569083584 822878403 /nfs/dbraw/zinc/87/84/03/822878403.db2.gz CGNNYDCQBMPQHV-DLBZAZTESA-N 1 0 399.501 4.191 20 0 GIADRO Cc1cc(Br)c(C(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)s1 ZINC000457472943 822878443 /nfs/dbraw/zinc/87/84/43/822878443.db2.gz REJQCWBUTLINBS-HIFRSBDPSA-N 1 0 393.350 4.384 20 0 GIADRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccc2c(c1)CCN2 ZINC000569083591 822878526 /nfs/dbraw/zinc/87/85/26/822878526.db2.gz CSWNXINXKAUYQH-OAQYLSRUSA-N 1 0 378.520 4.077 20 0 GIADRO COCCC1(CNC(=O)NC2CC[NH+](C3CCCCC3)CC2)CCCCC1 ZINC000186343592 822878825 /nfs/dbraw/zinc/87/88/25/822878825.db2.gz LOMWGFQNJFIZHN-UHFFFAOYSA-N 1 0 379.589 4.070 20 0 GIADRO CC[NH2+]CCCNC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)c(C(C)C)o1 ZINC000569086021 822878794 /nfs/dbraw/zinc/87/87/94/822878794.db2.gz CYANWZISRYWQNI-SFHVURJKSA-N 1 0 384.524 4.311 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)c(C)c1OC ZINC000569089064 822878979 /nfs/dbraw/zinc/87/89/79/822878979.db2.gz DNEWZWYGDPCQNU-XIRDDKMYSA-N 1 0 382.504 4.029 20 0 GIADRO C[C@H]([NH2+]C1CCC(O)(c2cccnc2)CC1)c1nc2ccc(Cl)cc2n1C ZINC000186344231 822879032 /nfs/dbraw/zinc/87/90/32/822879032.db2.gz WRNSWRZTMOLROR-UAXOWTEWSA-N 1 0 384.911 4.103 20 0 GIADRO CC1CC[NH+]([C@H](CNC(=O)Nc2ccc3c(c2)OCO3)c2cccs2)CC1 ZINC000054373514 822879410 /nfs/dbraw/zinc/87/94/10/822879410.db2.gz AWQHFAMQUYLCIJ-MRXNPFEDSA-N 1 0 387.505 4.072 20 0 GIADRO [NH3+]C[C@H]1CC[C@H](CNC(=O)N2CCc3sccc3[C@@H]2c2cccs2)CC1 ZINC000569094628 822879499 /nfs/dbraw/zinc/87/94/99/822879499.db2.gz UROSFTDUICGBQV-SPYBWZPUSA-N 1 0 389.590 4.232 20 0 GIADRO C[C@@H]([NH2+]C1CCC(O)(c2cccnc2)CC1)c1ccc(F)cc1Br ZINC000186347971 822879730 /nfs/dbraw/zinc/87/97/30/822879730.db2.gz HZHYSIKEGSIHEO-DAIYRKSASA-N 1 0 393.300 4.464 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1nc2c(s1)CCC2)c1ccc(Oc2cccnc2)cc1 ZINC000569099098 822879837 /nfs/dbraw/zinc/87/98/37/822879837.db2.gz BUHOKGVUGZXVRJ-CQSZACIVSA-N 1 0 394.500 4.108 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccc3c(c2)COC(C)(C)O3)C1)CC(F)(F)F ZINC000186349866 822879991 /nfs/dbraw/zinc/87/99/91/822879991.db2.gz AYBUBFWQLXISPT-MRXNPFEDSA-N 1 0 386.458 4.038 20 0 GIADRO CC(C)C(=O)Nc1ccc(NC(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000054384445 822880312 /nfs/dbraw/zinc/88/03/12/822880312.db2.gz RUSYDIDMWWLVNO-IAGOWNOFSA-N 1 0 388.556 4.159 20 0 GIADRO O=C(c1cccc(C[NH+]2CCCC2)c1)N1CC[C@H](OCCCc2ccccc2)C1 ZINC000175093463 822881174 /nfs/dbraw/zinc/88/11/74/822881174.db2.gz KPBGJVXFFULEPS-DEOSSOPVSA-N 1 0 392.543 4.146 20 0 GIADRO C[C@H](NC(=O)N1CCN(c2cc[nH+]cc2)CC1)c1cc(F)c(Cl)cc1Cl ZINC000054391299 822881160 /nfs/dbraw/zinc/88/11/60/822881160.db2.gz WNIDFXKBJNTAIU-LBPRGKRZSA-N 1 0 397.281 4.120 20 0 GIADRO CCOC(=O)c1nn(C)cc1C[NH2+][C@H](Cc1ccccc1)c1sccc1C ZINC000186355833 822881198 /nfs/dbraw/zinc/88/11/98/822881198.db2.gz IIKSWMFCHYJNEW-GOSISDBHSA-N 1 0 383.517 4.040 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)c3cc(O)ccc3Cl)C2)s1 ZINC000569130809 822882317 /nfs/dbraw/zinc/88/23/17/822882317.db2.gz RFYUNDMTBHWZKB-CQSZACIVSA-N 1 0 378.925 4.010 20 0 GIADRO C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000457499949 822882383 /nfs/dbraw/zinc/88/23/83/822882383.db2.gz BSWBZCNDLZDBSV-QAPCUYQASA-N 1 0 383.458 4.155 20 0 GIADRO Cc1ccc2[nH]cc(CCC(=O)Nc3ccc(C)cc3OCC[NH+](C)C)c2c1 ZINC000175100890 822882400 /nfs/dbraw/zinc/88/24/00/822882400.db2.gz LWYGQFCBNWDGCB-UHFFFAOYSA-N 1 0 379.504 4.296 20 0 GIADRO COC(=O)N1CCC([C@@H](C)[NH2+]Cc2ccc(-c3ccccc3OC)cc2)CC1 ZINC000186369734 822883156 /nfs/dbraw/zinc/88/31/56/822883156.db2.gz JEBPZMXCGFSWOJ-QGZVFWFLSA-N 1 0 382.504 4.319 20 0 GIADRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]Cc1nnc(-c2ccccc2Br)o1 ZINC000186369415 822883217 /nfs/dbraw/zinc/88/32/17/822883217.db2.gz MBKPNXCRHQNBOT-HOTGVXAUSA-N 1 0 394.313 4.182 20 0 GIADRO CCC(=O)Nc1ccc(C)c(NC(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000054412252 822883305 /nfs/dbraw/zinc/88/33/05/822883305.db2.gz ATWBGXRTNXFPPZ-PXNSSMCTSA-N 1 0 394.519 4.301 20 0 GIADRO COc1cc(OC)cc(N2CC[C@@H]([NH2+][C@@H](C)c3csc(C(C)C)n3)C2)c1 ZINC000186373034 822883570 /nfs/dbraw/zinc/88/35/70/822883570.db2.gz LHHBLPRLXJESTK-LSDHHAIUSA-N 1 0 375.538 4.213 20 0 GIADRO COc1ccc(CC[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)c(OC)c1OC ZINC000569149760 822884273 /nfs/dbraw/zinc/88/42/73/822884273.db2.gz QEZKJGWUGQDPCQ-IBGZPJMESA-N 1 0 380.488 4.403 20 0 GIADRO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(Oc3cccnc3)cc2)[C@H]1c1ccccc1 ZINC000569149518 822884352 /nfs/dbraw/zinc/88/43/52/822884352.db2.gz MJYQXZBHXHWWHT-FCHUYYIVSA-N 1 0 388.471 4.441 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000457520719 822885208 /nfs/dbraw/zinc/88/52/08/822885208.db2.gz VITADQYPYZIKBG-NRFANRHFSA-N 1 0 379.504 4.312 20 0 GIADRO C[C@@H](CBr)C[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000186384390 822885923 /nfs/dbraw/zinc/88/59/23/822885923.db2.gz RZMCZNZAUITIJC-LBPRGKRZSA-N 1 0 391.147 4.075 20 0 GIADRO CC[C@@H](CNC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)c1ccccc1 ZINC000457528662 822886267 /nfs/dbraw/zinc/88/62/67/822886267.db2.gz USHOCDDYVDKHLT-INIZCTEOSA-N 1 0 385.474 4.238 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCC(F)(F)[C@@H](C)C2)C1 ZINC000569165488 822886898 /nfs/dbraw/zinc/88/68/98/822886898.db2.gz QWYZVOBSHOHGRT-IRXDYDNUSA-N 1 0 379.495 4.105 20 0 GIADRO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1c(Cl)cccc1Cl ZINC000175123058 822886981 /nfs/dbraw/zinc/88/69/81/822886981.db2.gz FOWYQIJLJDIRJL-INIZCTEOSA-N 1 0 377.315 4.288 20 0 GIADRO CCc1cccc(Oc2ccc(NC(=O)N(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)cn2)c1 ZINC000175125424 822887575 /nfs/dbraw/zinc/88/75/75/822887575.db2.gz VJVYJFNVAWTLQM-VQIMIIECSA-N 1 0 382.508 4.383 20 0 GIADRO CC1(C)[C@H](OCc2ccccc2)C[C@@H]1[NH2+]C1CCN(Cc2cccnc2)CC1 ZINC000186395985 822887573 /nfs/dbraw/zinc/88/75/73/822887573.db2.gz PBQAPCJLXYWVTO-XZOQPEGZSA-N 1 0 379.548 4.020 20 0 GIADRO CC1(C)OCc2cc(C[NH2+]Cc3ccc(COC4CCOCC4)cc3)ccc2O1 ZINC000186399132 822888071 /nfs/dbraw/zinc/88/80/71/822888071.db2.gz PLWMKEVKLZVVPC-UHFFFAOYSA-N 1 0 397.515 4.317 20 0 GIADRO CC1(C)[C@H]([NH2+]C2CCN(CCC(F)(F)F)CC2)C[C@H]1OCc1ccccc1 ZINC000186398038 822888134 /nfs/dbraw/zinc/88/81/34/822888134.db2.gz LHAUTFYBWJBQMJ-RTBURBONSA-N 1 0 384.486 4.377 20 0 GIADRO COCCCOc1ccccc1NC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000054471912 822888215 /nfs/dbraw/zinc/88/82/15/822888215.db2.gz FXRBMMXQFPWIBN-OAQYLSRUSA-N 1 0 397.519 4.061 20 0 GIADRO CC1(C)OCc2cc(CN3CC[C@@]4(CC[N@H+](Cc5ccccc5)C4)C3)ccc2O1 ZINC000569172408 822888389 /nfs/dbraw/zinc/88/83/89/822888389.db2.gz VAJQHXCVGBPYHY-RUZDIDTESA-N 1 0 392.543 4.430 20 0 GIADRO CC(C)c1ccccc1NC(=O)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000175133343 822889076 /nfs/dbraw/zinc/88/90/76/822889076.db2.gz KIYBZALABMCLRN-JXFKEZNVSA-N 1 0 399.560 4.009 20 0 GIADRO CO[C@@H](C)c1nc(C)c(C(=O)OCC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000175132502 822889157 /nfs/dbraw/zinc/88/91/57/822889157.db2.gz XPPCMZQBBXNCLV-INIZCTEOSA-N 1 0 388.533 4.228 20 0 GIADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N2CC(C)(C)[C@H]2C2CC2)CC1 ZINC000569175742 822889158 /nfs/dbraw/zinc/88/91/58/822889158.db2.gz VFNAVFGHDRBPFN-LJQANCHMSA-N 1 0 390.959 4.134 20 0 GIADRO CCOC(=O)N1CCC([C@H](C)[NH2+]Cc2ncc(-c3ccc(Cl)cc3)o2)CC1 ZINC000186419480 822891537 /nfs/dbraw/zinc/89/15/37/822891537.db2.gz URBMRCFSYXGWEP-AWEZNQCLSA-N 1 0 391.899 4.342 20 0 GIADRO CCC[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@@H]2c2ccc(Br)cc2)C1 ZINC000054510871 822891548 /nfs/dbraw/zinc/89/15/48/822891548.db2.gz LKDAOAMNCCCFFZ-CRAIPNDOSA-N 1 0 394.357 4.028 20 0 GIADRO CCC[N@@H+]1CC[C@@H](CNC(=O)NCc2ccc(Oc3cc(C)ccc3C)nc2)C1 ZINC000054511422 822891774 /nfs/dbraw/zinc/89/17/74/822891774.db2.gz VYTQMJBUBBHONB-FQEVSTJZSA-N 1 0 396.535 4.022 20 0 GIADRO Cc1ccccc1[C@H]([C@H](C)NC(=O)Nc1ccc([C@H]2CCOC2)cc1)[NH+](C)C ZINC000569201070 822892114 /nfs/dbraw/zinc/89/21/14/822892114.db2.gz AHNDHNHTEBVFKS-JLMWRMLUSA-N 1 0 381.520 4.312 20 0 GIADRO CCOc1cc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc(Cl)c1O ZINC000186423186 822892166 /nfs/dbraw/zinc/89/21/66/822892166.db2.gz XGZWYDDYOILZMN-SFHVURJKSA-N 1 0 388.895 4.011 20 0 GIADRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)Nc1ccc([C@@H]2CCOC2)cc1)[NH+](C)C ZINC000569201071 822892240 /nfs/dbraw/zinc/89/22/40/822892240.db2.gz AHNDHNHTEBVFKS-JUXOCIIHSA-N 1 0 381.520 4.312 20 0 GIADRO O=C(Nc1cccc(C[S@@](=O)c2ccccc2)c1)C1C[NH+](C2CCCCC2)C1 ZINC000457569765 822892585 /nfs/dbraw/zinc/89/25/85/822892585.db2.gz POMXCJJSLOCQIK-MUUNZHRXSA-N 1 0 396.556 4.197 20 0 GIADRO CC(C)CN(C(=O)c1ccc(Oc2cccc(F)c2)cn1)C1CC[NH+](C)CC1 ZINC000457569016 822892598 /nfs/dbraw/zinc/89/25/98/822892598.db2.gz GHEBVUXPJXJYSH-UHFFFAOYSA-N 1 0 385.483 4.205 20 0 GIADRO COc1ccc(C[NH2+]CCC(=O)Nc2ccc(Cl)cc2)cc1OC(F)F ZINC000569212667 822893571 /nfs/dbraw/zinc/89/35/71/822893571.db2.gz DXJSKMKBMDIUIC-UHFFFAOYSA-N 1 0 384.810 4.068 20 0 GIADRO CC(C)(C)[N@@H+]1CCc2nc(NC(=O)c3ccc(-c4cnco4)cc3)sc2C1 ZINC000569215508 822893713 /nfs/dbraw/zinc/89/37/13/822893713.db2.gz YYDYRLBIMXSLOF-UHFFFAOYSA-N 1 0 382.489 4.207 20 0 GIADRO Cc1ccc([C@@H](OC[C@H](O)C[NH2+]Cc2ccc(C)c(C)n2)c2ccccc2)cc1 ZINC000569214703 822893841 /nfs/dbraw/zinc/89/38/41/822893841.db2.gz ZHNOVJNVQIDSHF-RPBOFIJWSA-N 1 0 390.527 4.264 20 0 GIADRO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000186435582 822895002 /nfs/dbraw/zinc/89/50/02/822895002.db2.gz UNAGVIVQFJRMEH-QHCPKHFHSA-N 1 0 377.463 4.260 20 0 GIADRO CC[NH+](CC)CCNC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 ZINC000054562733 822895294 /nfs/dbraw/zinc/89/52/94/822895294.db2.gz JGZQGLNFPKVIER-UHFFFAOYSA-N 1 0 384.307 4.039 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)COCc2cccc(Cl)c2)[C@@H]1c1cccs1 ZINC000457588815 822895368 /nfs/dbraw/zinc/89/53/68/822895368.db2.gz DFZMJDSTTMVIJT-OXJNMPFZSA-N 1 0 392.952 4.117 20 0 GIADRO CCOCC(C)(C)NC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000457604106 822896459 /nfs/dbraw/zinc/89/64/59/822896459.db2.gz GTZHRTNFZLDXQY-UHFFFAOYSA-N 1 0 383.536 4.030 20 0 GIADRO C(C1CCCCC1)[N@@H+]1CCCN(c2nnc([C@@H]3CCCS3)n2C2CC2)CC1 ZINC000569252344 822896887 /nfs/dbraw/zinc/89/68/87/822896887.db2.gz JXLKFKOVPICIEH-IBGZPJMESA-N 1 0 389.613 4.274 20 0 GIADRO C(C1CCCCC1)[N@@H+]1CCCN(c2nnc([C@H]3CCCS3)n2C2CC2)CC1 ZINC000569252353 822896892 /nfs/dbraw/zinc/89/68/92/822896892.db2.gz JXLKFKOVPICIEH-LJQANCHMSA-N 1 0 389.613 4.274 20 0 GIADRO CC(C)CC[NH+]1CCC(CNC(=O)Cc2csc(Cc3ccccc3)n2)CC1 ZINC000175169929 822897016 /nfs/dbraw/zinc/89/70/16/822897016.db2.gz DRGPBQGBFPJOIB-UHFFFAOYSA-N 1 0 399.604 4.151 20 0 GIADRO c1c(C[NH2+]C2Cc3ccccc3C2)c(-c2cccnc2)nn1Cc1ccccc1 ZINC000186446305 822897067 /nfs/dbraw/zinc/89/70/67/822897067.db2.gz OLTAGMFBGATUEV-UHFFFAOYSA-N 1 0 380.495 4.250 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)NCc1ccc(OCc2ccccc2)cc1 ZINC000457640355 822899862 /nfs/dbraw/zinc/89/98/62/822899862.db2.gz BVWGGCHTNKQGLX-UHFFFAOYSA-N 1 0 383.536 4.185 20 0 GIADRO C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000457640400 822899911 /nfs/dbraw/zinc/89/99/11/822899911.db2.gz QZDMAYXFSATGMH-MSYCTHLASA-N 1 0 392.547 4.022 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)NCCc2ccccc2C(F)(F)F)CC1 ZINC000054650076 822901644 /nfs/dbraw/zinc/90/16/44/822901644.db2.gz XFXRARQSGPPOAU-UHFFFAOYSA-N 1 0 385.474 4.010 20 0 GIADRO Cc1ccccc1Oc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc1 ZINC000457654127 822902032 /nfs/dbraw/zinc/90/20/32/822902032.db2.gz BQCUDBOPWOWPCF-AVRDEDQJSA-N 1 0 391.515 4.271 20 0 GIADRO Cc1cccc(CN(C)C(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)n1 ZINC000457656469 822902194 /nfs/dbraw/zinc/90/21/94/822902194.db2.gz CBAWCJIEYMOTBY-RTBURBONSA-N 1 0 394.563 4.210 20 0 GIADRO CCNC(=O)c1cccc(NC(=O)C[NH2+][C@@H](c2ccc(Cl)cc2)C(C)C)c1 ZINC000054667282 822903016 /nfs/dbraw/zinc/90/30/16/822903016.db2.gz SUZIHWILNOODTK-HXUWFJFHSA-N 1 0 387.911 4.015 20 0 GIADRO CSc1cccc(N(C(=O)CC[C@@H]2CC[C@@H](C)O2)C2CC[NH+](C)CC2)c1 ZINC000175205972 822904093 /nfs/dbraw/zinc/90/40/93/822904093.db2.gz BRXJOJCKZOCILZ-APWZRJJASA-N 1 0 376.566 4.183 20 0 GIADRO C[C@H](CC(F)(F)F)C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000457675537 822904923 /nfs/dbraw/zinc/90/49/23/822904923.db2.gz ASKRLKPTFWESRH-HCKVZZMMSA-N 1 0 380.813 4.177 20 0 GIADRO CC(C)Oc1ccc([C@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccsc2)cc1 ZINC000457675175 822905003 /nfs/dbraw/zinc/90/50/03/822905003.db2.gz XCXOUKSHQFHVLG-KRWDZBQOSA-N 1 0 389.565 4.370 20 0 GIADRO C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]Cc1nc2c(cccc2Br)[nH]1 ZINC000569307011 822905013 /nfs/dbraw/zinc/90/50/13/822905013.db2.gz RPQNUNPUVNDESK-LBPRGKRZSA-N 1 0 398.308 4.313 20 0 GIADRO Cc1noc([C@@H]2CCC[N@@H+](Cc3cc(=O)oc4cc(C)c(C(C)C)cc34)C2)n1 ZINC000054677324 822905096 /nfs/dbraw/zinc/90/50/96/822905096.db2.gz VTHNLTAOCJNDNM-MRXNPFEDSA-N 1 0 381.476 4.296 20 0 GIADRO O=S1(=O)C[C@@H](C[NH2+][C@@H]2CC3(CCCCC3)Oc3ccccc32)c2ccccc21 ZINC000569310043 822905323 /nfs/dbraw/zinc/90/53/23/822905323.db2.gz UHPRDAABVUZZHT-YLJYHZDGSA-N 1 0 397.540 4.374 20 0 GIADRO O=S1(=O)C[C@H](C[NH2+][C@H]2CC3(CCCCC3)Oc3ccccc32)c2ccccc21 ZINC000569310041 822905397 /nfs/dbraw/zinc/90/53/97/822905397.db2.gz UHPRDAABVUZZHT-PXNSSMCTSA-N 1 0 397.540 4.374 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CCC(c2ccsc2)CC1 ZINC000186508610 822906410 /nfs/dbraw/zinc/90/64/10/822906410.db2.gz ONPKRBNWEOJBDT-UHFFFAOYSA-N 1 0 398.576 4.220 20 0 GIADRO O=C(Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)c1csc(C2CCCCC2)n1 ZINC000569318034 822906669 /nfs/dbraw/zinc/90/66/69/822906669.db2.gz DTRSUURUZGPQJM-SFHVURJKSA-N 1 0 385.533 4.010 20 0 GIADRO Cc1cccc(Oc2ccc(C(=O)N3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)nc2)c1 ZINC000457689703 822906837 /nfs/dbraw/zinc/90/68/37/822906837.db2.gz WJUHMUZOUBCMJF-FDDCHVKYSA-N 1 0 391.515 4.271 20 0 GIADRO C[C@@H]([NH2+]Cc1cn(C)nc1-c1ccccc1)c1ccc(Br)cc1O ZINC000186521527 822908012 /nfs/dbraw/zinc/90/80/12/822908012.db2.gz LQGPEMPIWBBZNB-CYBMUJFWSA-N 1 0 386.293 4.406 20 0 GIADRO COc1ccc(C[N@@H+]2CCCN(C(=O)N[C@H](C)c3ccc(C)s3)CC2)cc1 ZINC000054731022 822908319 /nfs/dbraw/zinc/90/83/19/822908319.db2.gz WIVGCFKZQMUCOX-QGZVFWFLSA-N 1 0 387.549 4.044 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)c1cccc(C[NH+]2CCCC2)c1)OC(C)C ZINC000186529324 822909160 /nfs/dbraw/zinc/90/91/60/822909160.db2.gz LMTVVFPKBKLSIM-HSZRJFAPSA-N 1 0 396.531 4.187 20 0 GIADRO C[C@H](NC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccc2n[nH]cc2c1 ZINC000569339660 822909220 /nfs/dbraw/zinc/90/92/20/822909220.db2.gz JCOLOVNPAPJJPS-IRXDYDNUSA-N 1 0 391.519 4.149 20 0 GIADRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccsc1)c1cccc(OC(F)F)c1 ZINC000457710489 822909611 /nfs/dbraw/zinc/90/96/11/822909611.db2.gz FRVRNBTZSUNESB-AWEZNQCLSA-N 1 0 397.491 4.184 20 0 GIADRO CC(C)[N@@H+](Cc1ccc(NC(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)cc1)C[C@@H]1CCCCO1 ZINC000457709720 822909668 /nfs/dbraw/zinc/90/96/68/822909668.db2.gz ODKVRFGPKQSFNJ-UVUJQTEASA-N 1 0 398.547 4.020 20 0 GIADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)C[C@@H]1CCCc2cc(OC)ccc21)c1ccco1 ZINC000569349219 822910263 /nfs/dbraw/zinc/91/02/63/822910263.db2.gz HWFPYABUWNLIAZ-MDKPJZGXSA-N 1 0 384.520 4.344 20 0 GIADRO Cc1ccc(OCCCC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)c(Cl)c1 ZINC000569371623 822912384 /nfs/dbraw/zinc/91/23/84/822912384.db2.gz FJBVBLREPHVDKE-KRWDZBQOSA-N 1 0 378.944 4.140 20 0 GIADRO Cc1ccccc1COc1ccc([C@@H](C)[NH2+][C@H](C)C2(S(C)(=O)=O)CC2)cc1 ZINC000569372440 822912410 /nfs/dbraw/zinc/91/24/10/822912410.db2.gz RQBJJHRBJRUDNA-QZTJIDSGSA-N 1 0 387.545 4.190 20 0 GIADRO Cc1ccc([C@@H]([NH2+]C2CC(OC(C)C)C2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000186556380 822912765 /nfs/dbraw/zinc/91/27/65/822912765.db2.gz KLLQVSHLNXPLNV-QETWGEEDSA-N 1 0 387.545 4.034 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000457750144 822914224 /nfs/dbraw/zinc/91/42/24/822914224.db2.gz VJIHOVRJCBYFLU-NQIIRXRSSA-N 1 0 397.567 4.454 20 0 GIADRO C[C@H](NC(=O)c1c(F)cc(C(F)(F)F)cc1F)[C@H](c1ccccc1)[NH+](C)C ZINC000569398690 822916830 /nfs/dbraw/zinc/91/68/30/822916830.db2.gz KVRRWRJAFNWLJO-APPDUMDISA-N 1 0 386.364 4.405 20 0 GIADRO Cc1nc(-c2ccc([C@H](C)NC(=O)N(C)[C@H]3CC[N@@H+](C(C)C)C3)cc2)cs1 ZINC000457772167 822917530 /nfs/dbraw/zinc/91/75/30/822917530.db2.gz JLSCPZCUHFNQTK-KXBFYZLASA-N 1 0 386.565 4.304 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186586928 822918073 /nfs/dbraw/zinc/91/80/73/822918073.db2.gz WMOGCHHGATUVNS-UHFFFAOYSA-N 1 0 393.506 4.198 20 0 GIADRO OC1(Cc2cccc(F)c2)CC[NH+](Cc2c(F)cccc2N2CCCC2)CC1 ZINC000186586763 822918131 /nfs/dbraw/zinc/91/81/31/822918131.db2.gz MNUJMPWZLYCEJX-UHFFFAOYSA-N 1 0 386.486 4.135 20 0 GIADRO C[NH+](C)Cc1ccc(-c2noc(-c3ccccc3OCc3ccncc3)n2)cc1 ZINC000569408392 822918352 /nfs/dbraw/zinc/91/83/52/822918352.db2.gz KVCHOFYTYLGZKB-UHFFFAOYSA-N 1 0 386.455 4.439 20 0 GIADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCc2ccc(-c3ccccc3)cc2C1 ZINC000457785806 822919222 /nfs/dbraw/zinc/91/92/22/822919222.db2.gz LQQCVQFOHBHDLP-DHIUTWEWSA-N 1 0 375.516 4.048 20 0 GIADRO Cc1cc(NC(=O)N[C@H](C)C[NH+]2CCCCCC2)ccc1NC(=O)c1ccco1 ZINC000186592432 822919500 /nfs/dbraw/zinc/91/95/00/822919500.db2.gz LGRFBHDHCRTTRO-QGZVFWFLSA-N 1 0 398.507 4.226 20 0 GIADRO Fc1ccc(Oc2ccc(C[NH2+]Cc3cncc(Br)c3)cn2)cc1 ZINC000186592836 822919520 /nfs/dbraw/zinc/91/95/20/822919520.db2.gz VLOKAGGVSHAVRK-UHFFFAOYSA-N 1 0 388.240 4.460 20 0 GIADRO O=C([C@@H]1C[C@@H]1c1ccccc1Cl)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000186593766 822919810 /nfs/dbraw/zinc/91/98/10/822919810.db2.gz NFNAEAINSCMJBA-MISYRCLQSA-N 1 0 383.923 4.009 20 0 GIADRO Cc1cc(Br)c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)s1 ZINC000457791406 822919843 /nfs/dbraw/zinc/91/98/43/822919843.db2.gz BSPDKLDZGOXEOV-XJKSGUPXSA-N 1 0 393.350 4.212 20 0 GIADRO FC(F)Oc1ccc(NC2CC[NH+](Cc3ccccn3)CC2)c2ncccc12 ZINC000186595613 822920713 /nfs/dbraw/zinc/92/07/13/822920713.db2.gz QQJCDLSGLOCGDQ-UHFFFAOYSA-N 1 0 384.430 4.308 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@@H]1CCOc2ccccc21 ZINC000175271513 822920888 /nfs/dbraw/zinc/92/08/88/822920888.db2.gz UQDQRTORJIDZMR-YADHBBJMSA-N 1 0 392.543 4.313 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccccc1OC(F)F ZINC000175274079 822921737 /nfs/dbraw/zinc/92/17/37/822921737.db2.gz FDQDECVAIJHYCR-SFHVURJKSA-N 1 0 388.458 4.272 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(C(C)(C)O)cc1)c1ccc(OCc2nccn2C)cc1 ZINC000186605075 822922326 /nfs/dbraw/zinc/92/23/26/822922326.db2.gz QVEHAEZWHXSDAG-KRWDZBQOSA-N 1 0 379.504 4.077 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)N(C)[C@H](C)c1ccc(F)cc1)[NH+]1CCCC1 ZINC000054920509 822922345 /nfs/dbraw/zinc/92/23/45/822922345.db2.gz IDMRTXCTYMMULE-UTKZUKDTSA-N 1 0 399.510 4.374 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]Cc2cc(Cl)cc3c2OCC3)cc1Cn1cccn1 ZINC000186613583 822923633 /nfs/dbraw/zinc/92/36/33/822923633.db2.gz GHLWFPFNIBUDNE-OAHLLOKOSA-N 1 0 397.906 4.379 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cc1sc(=S)[nH]c1C ZINC000175284050 822924153 /nfs/dbraw/zinc/92/41/53/822924153.db2.gz GRWTTXNJQXUXAY-QGZVFWFLSA-N 1 0 389.590 4.027 20 0 GIADRO C[NH+](C)CCN(Cc1ccccc1F)C(=S)Nc1ccc(OC(F)F)cc1 ZINC000054959549 822925619 /nfs/dbraw/zinc/92/56/19/822925619.db2.gz SHPQEUUSBSGKDH-UHFFFAOYSA-N 1 0 397.466 4.188 20 0 GIADRO C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000457857052 822925946 /nfs/dbraw/zinc/92/59/46/822925946.db2.gz DKCCSCDYOQJGEY-SELNLUPBSA-N 1 0 392.547 4.022 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cc1c[nH]c2c1cccc2C ZINC000175290687 822926112 /nfs/dbraw/zinc/92/61/12/822926112.db2.gz PPLFHXFQAACCJL-NRFANRHFSA-N 1 0 389.543 4.389 20 0 GIADRO O=C(Nc1cccc(NC(=O)c2ccoc2)c1)NC1CC[NH+](C2CCCC2)CC1 ZINC000175298716 822928371 /nfs/dbraw/zinc/92/83/71/822928371.db2.gz CMBQYVPCPGXJNU-UHFFFAOYSA-N 1 0 396.491 4.060 20 0 GIADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@@H]2c2csc(C)n2)C1 ZINC000186642865 822928327 /nfs/dbraw/zinc/92/83/27/822928327.db2.gz VMVAMUBDOPTYLV-SJLPKXTDSA-N 1 0 378.586 4.199 20 0 GIADRO Cc1ccc(C(=O)N(C)CCC[N@H+](C)Cc2ccncc2)c(Cl)c1Cl ZINC000569491086 822929121 /nfs/dbraw/zinc/92/91/21/822929121.db2.gz CWRQVAFGZGOQGK-UHFFFAOYSA-N 1 0 380.319 4.291 20 0 GIADRO O=C(NCCC[C@@H]1CCCCO1)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000186648506 822929367 /nfs/dbraw/zinc/92/93/67/822929367.db2.gz QEQMYLYZXDBDLH-VJBWXMMDSA-N 1 0 399.579 4.032 20 0 GIADRO C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+]1C[C@@H](c2cnn(C)c2)C(C)(C)C1 ZINC000569501240 822930444 /nfs/dbraw/zinc/93/04/44/822930444.db2.gz NCNSRBJFYNZKFE-KSSFIOAISA-N 1 0 399.926 4.234 20 0 GIADRO CC(C)(C)NC(=S)C(C(=O)c1cccc(Br)c1)[n+]1ccccc1 ZINC000055015290 822931753 /nfs/dbraw/zinc/93/17/53/822931753.db2.gz GVPBCRUDKYTJHY-UHFFFAOYSA-O 1 0 392.342 4.064 20 0 GIADRO CN(C)c1cc[n+](C(C(=O)c2ccc(Cl)s2)C(=S)NC(C)(C)C)cc1 ZINC000055015348 822931784 /nfs/dbraw/zinc/93/17/84/822931784.db2.gz LPNPIDMZPFYYLU-UHFFFAOYSA-O 1 0 396.989 4.082 20 0 GIADRO Cc1c(Br)cccc1NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000175317741 822933408 /nfs/dbraw/zinc/93/34/08/822933408.db2.gz PGHHXRWIAFKMFQ-UHFFFAOYSA-N 1 0 380.330 4.286 20 0 GIADRO Cc1nn(Cc2ccccc2Cl)c(Cl)c1CNC1CC[NH+](C2CC2)CC1 ZINC000055043155 822933693 /nfs/dbraw/zinc/93/36/93/822933693.db2.gz LJAYFWTWFWUHIS-UHFFFAOYSA-N 1 0 393.362 4.263 20 0 GIADRO Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1CNC1CC[NH+](C2CC2)CC1 ZINC000055043118 822933741 /nfs/dbraw/zinc/93/37/41/822933741.db2.gz WSUWBVJUOJLOSR-UHFFFAOYSA-N 1 0 393.362 4.263 20 0 GIADRO O=C(NCC1CC1)[C@H]1CCC[N@@H+](Cc2nc(-c3ccccc3Cl)cs2)C1 ZINC000186674322 822934599 /nfs/dbraw/zinc/93/45/99/822934599.db2.gz NRABNEZIXJFAMK-HNNXBMFYSA-N 1 0 389.952 4.202 20 0 GIADRO Cn1cc(-c2ncc(C[NH2+][C@H]3CCC[C@H](c4cccc(Cl)c4)C3)cn2)cn1 ZINC000569543909 822937789 /nfs/dbraw/zinc/93/77/89/822937789.db2.gz KPNPFNFDGLSRHO-PXNSSMCTSA-N 1 0 381.911 4.347 20 0 GIADRO CC1CC[NH+](C2CCC(NC(=O)c3ccc(-c4cncnc4)cc3F)CC2)CC1 ZINC000186691091 822938323 /nfs/dbraw/zinc/93/83/23/822938323.db2.gz DWIIGSYTUPSRAL-UHFFFAOYSA-N 1 0 396.510 4.056 20 0 GIADRO CCC(=O)Nc1cccc(C(=O)Nc2ccccc2OCC[NH+](CC)CC)c1 ZINC000055112025 822939160 /nfs/dbraw/zinc/93/91/60/822939160.db2.gz DUBFODBVHNMCPF-UHFFFAOYSA-N 1 0 383.492 4.008 20 0 GIADRO CCOc1ccc2c(c1)[C@@H]([NH2+]C1CCC3(CC1)C(=O)Nc1ccccc13)CCO2 ZINC000186696399 822939284 /nfs/dbraw/zinc/93/92/84/822939284.db2.gz URGYPDKHEJRJBX-XUGLNINTSA-N 1 0 392.499 4.331 20 0 GIADRO C[NH2+]C[C@@H]1CCN(C(=O)Nc2ccc(-c3ccc(Cl)cc3Cl)nc2)C1 ZINC000569556638 822939417 /nfs/dbraw/zinc/93/94/17/822939417.db2.gz PGZPGCLCIHXKPH-LBPRGKRZSA-N 1 0 379.291 4.129 20 0 GIADRO COc1ccc(NC(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1Cc1ccccc1 ZINC000569555494 822939461 /nfs/dbraw/zinc/93/94/61/822939461.db2.gz UXZQDGINTDRMIK-VQTJNVASSA-N 1 0 393.531 4.139 20 0 GIADRO CCOc1ccc2c(c1)[C@@H]([NH2+][C@H](C)CC(=O)Nc1ccccc1CC)CCO2 ZINC000186699032 822940042 /nfs/dbraw/zinc/94/00/42/822940042.db2.gz VOSLAEOOAZQKRX-IERDGZPVSA-N 1 0 382.504 4.478 20 0 GIADRO CCOc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccccc1CC)CCO2 ZINC000186699046 822940076 /nfs/dbraw/zinc/94/00/76/822940076.db2.gz VOSLAEOOAZQKRX-KKSFZXQISA-N 1 0 382.504 4.478 20 0 GIADRO CCc1ccc([C@@H](CC)[NH2+]Cc2ccc(N3CCCS3(=O)=O)c(F)c2)cc1 ZINC000186706203 822941327 /nfs/dbraw/zinc/94/13/27/822941327.db2.gz XNBNTWAKEGLTLY-HXUWFJFHSA-N 1 0 390.524 4.169 20 0 GIADRO COc1ccc(C[N@H+](CCc2ccccn2)CCc2ncc(C)cc2C)cc1 ZINC000569571478 822941368 /nfs/dbraw/zinc/94/13/68/822941368.db2.gz MAILIXUMBXCLEX-UHFFFAOYSA-N 1 0 375.516 4.389 20 0 GIADRO COc1ccccc1[C@H]1CC[C@@H](C)CN1C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000569574765 822941589 /nfs/dbraw/zinc/94/15/89/822941589.db2.gz OGJPJSBALGCIJN-IIBYNOLFSA-N 1 0 379.504 4.346 20 0 GIADRO Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000569579411 822941783 /nfs/dbraw/zinc/94/17/83/822941783.db2.gz KRFDWSPUDLSDHG-WBVHZDCISA-N 1 0 389.952 4.376 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)CC[N@@H+]1C ZINC000175353208 822942727 /nfs/dbraw/zinc/94/27/27/822942727.db2.gz PKEAFLUJHBLHJA-FOIQADDNSA-N 1 0 398.482 4.024 20 0 GIADRO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)C1 ZINC000175353799 822943073 /nfs/dbraw/zinc/94/30/73/822943073.db2.gz ISNZYSLSWUUVRD-FQEVSTJZSA-N 1 0 398.482 4.026 20 0 GIADRO Fc1ccc(C[NH2+]Cc2ccccc2Cn2cncn2)cc1-c1cccs1 ZINC000055171246 822943159 /nfs/dbraw/zinc/94/31/59/822943159.db2.gz VDTSTPJWUBNKPT-UHFFFAOYSA-N 1 0 378.476 4.484 20 0 GIADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)NC(c3ccc(F)cc3)c3ccc(F)cc3)C2)C1 ZINC000457952772 822943346 /nfs/dbraw/zinc/94/33/46/822943346.db2.gz QLWLVHZRVWDKFR-QHCPKHFHSA-N 1 0 399.485 4.182 20 0 GIADRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)CCc2nccs2)cc1 ZINC000055190342 822944369 /nfs/dbraw/zinc/94/43/69/822944369.db2.gz ZUKGXOONXWYWIZ-UHFFFAOYSA-N 1 0 379.529 4.121 20 0 GIADRO COc1ccc(C2(C[NH2+][C@@H]3CCc4c3ccc(OC)c4F)CCOCC2)cc1 ZINC000569617752 822945446 /nfs/dbraw/zinc/94/54/46/822945446.db2.gz OWIJKROHYAYMRR-HXUWFJFHSA-N 1 0 385.479 4.168 20 0 GIADRO C[C@H]1C[N@@H+](C2CCN(Cc3nc(-c4ccccc4Cl)cs3)CC2)CCO1 ZINC000186727483 822945643 /nfs/dbraw/zinc/94/56/43/822945643.db2.gz PDJBJZDMNLSFFF-HNNXBMFYSA-N 1 0 391.968 4.149 20 0 GIADRO CCOC(=O)[C@H]1CC[C@H]([NH2+]CCCc2ccc3c(c2)OCCO3)c2ccccc21 ZINC000569626853 822946786 /nfs/dbraw/zinc/94/67/86/822946786.db2.gz BAYUBLPDRLLQSM-SFTDATJTSA-N 1 0 395.499 4.162 20 0 GIADRO CCSc1cccc(F)c1NC(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000569629748 822947298 /nfs/dbraw/zinc/94/72/98/822947298.db2.gz OIGUPKAAMPATCQ-UHFFFAOYSA-N 1 0 375.513 4.364 20 0 GIADRO c1oc(C2CCOCC2)nc1-c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000569641975 822949121 /nfs/dbraw/zinc/94/91/21/822949121.db2.gz PHCBGWYCWWIBDT-UHFFFAOYSA-N 1 0 394.475 4.272 20 0 GIADRO FC(F)(F)COc1ccc(CC[NH2+][C@H](c2ccccc2)c2ccccn2)cn1 ZINC000186748697 822949384 /nfs/dbraw/zinc/94/93/84/822949384.db2.gz BYOOFVVGRQJLCW-HXUWFJFHSA-N 1 0 387.405 4.339 20 0 GIADRO COc1cc(-c2noc([C@@H]3[C@@H](C)[C@@H]3c3ccccc3)n2)ccc1OCC[NH+](C)C ZINC000569645911 822949543 /nfs/dbraw/zinc/94/95/43/822949543.db2.gz FWWORMCNPYJCNZ-IWMITWMQSA-N 1 0 393.487 4.203 20 0 GIADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@H](C)c1nccs1 ZINC000186754178 822950225 /nfs/dbraw/zinc/95/02/25/822950225.db2.gz MFGWEMKZYNUFPP-VXGBXAGGSA-N 1 0 382.327 4.016 20 0 GIADRO O=C(Nc1ccc(OC2CCCC2)c(F)c1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000569674500 822953787 /nfs/dbraw/zinc/95/37/87/822953787.db2.gz VHSGUPVXMFWUIE-MRXNPFEDSA-N 1 0 375.488 4.001 20 0 GIADRO O=C(Nc1ccc(OC2CCCC2)c(F)c1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000569674499 822953812 /nfs/dbraw/zinc/95/38/12/822953812.db2.gz VHSGUPVXMFWUIE-INIZCTEOSA-N 1 0 375.488 4.001 20 0 GIADRO COc1cc(C)c(NC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)cc1F ZINC000186780806 822954405 /nfs/dbraw/zinc/95/44/05/822954405.db2.gz LMQMMCRJHVDFCV-MRXNPFEDSA-N 1 0 385.483 4.490 20 0 GIADRO Cc1ccccc1[C@H](OC[C@@H](O)C[NH2+]C[C@@H](C)C(F)(F)F)c1ccccc1 ZINC000569686791 822955427 /nfs/dbraw/zinc/95/54/27/822955427.db2.gz GRDLWLOUTRSWDH-IMFGXOCKSA-N 1 0 381.438 4.250 20 0 GIADRO Cc1ccccc1[C@H](OC[C@H](O)C[NH2+]C[C@H](C)C(F)(F)F)c1ccccc1 ZINC000569686786 822955445 /nfs/dbraw/zinc/95/54/45/822955445.db2.gz GRDLWLOUTRSWDH-ILZDJORESA-N 1 0 381.438 4.250 20 0 GIADRO [NH3+]Cc1ccc(CNC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)cc1 ZINC000569690507 822955701 /nfs/dbraw/zinc/95/57/01/822955701.db2.gz CIIWUTDSHSQZMG-GOSISDBHSA-N 1 0 377.410 4.115 20 0 GIADRO Brc1ccccc1-c1cnc(C[N@@H+]2CC[C@@H](c3cccnc3)C2)o1 ZINC000569689596 822955793 /nfs/dbraw/zinc/95/57/93/822955793.db2.gz NSEVRZYQEONJFK-OAHLLOKOSA-N 1 0 384.277 4.489 20 0 GIADRO COc1cncc(/C=C\CC[NH2+][C@@H]2CCN(Cc3ccccc3)CC2(C)C)c1 ZINC000569689994 822955809 /nfs/dbraw/zinc/95/58/09/822955809.db2.gz CZHXFBMIZQSDHJ-RRZSJFKKSA-N 1 0 379.548 4.384 20 0 GIADRO COc1ccc2c(c1)CN(C(=O)C[C@@H]1CCCC[C@@H]1[NH3+])[C@H](c1ccccc1)C2 ZINC000569694685 822956091 /nfs/dbraw/zinc/95/60/91/822956091.db2.gz MDZUKWVQRQWORY-VJBMBRPKSA-N 1 0 378.516 4.229 20 0 GIADRO [NH3+]Cc1ccc(CNC(=O)Nc2ccc(N3CCCCC3)c3ncccc23)cc1 ZINC000569693646 822956129 /nfs/dbraw/zinc/95/61/29/822956129.db2.gz WLOKLZHRCDFAFW-UHFFFAOYSA-N 1 0 389.503 4.006 20 0 GIADRO C[N@@H+]1CC[C@H](NCc2csc(COc3ccc(F)cc3)n2)[C@H]1c1ccccc1 ZINC000569699329 822956253 /nfs/dbraw/zinc/95/62/53/822956253.db2.gz CUSYQZCOCZELLN-RBBKRZOGSA-N 1 0 397.519 4.396 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)N(C)CC3(c4ccccc4)CC3)c2)CC1 ZINC000186793290 822956512 /nfs/dbraw/zinc/95/65/12/822956512.db2.gz PGNOGJSRKKQYHU-UHFFFAOYSA-N 1 0 392.547 4.024 20 0 GIADRO CC(C)[N@@H+](Cc1ccc(NC(=O)[C@@H](C)Cc2c[nH]cn2)cc1)C[C@H]1CCCCO1 ZINC000569705986 822957148 /nfs/dbraw/zinc/95/71/48/822957148.db2.gz CMLWLKVWHRJOTG-PGRDOPGGSA-N 1 0 398.551 4.007 20 0 GIADRO C[C@@H](NC(=O)[C@@H](C)[N@@H+]1CCSC2(CCOCC2)C1)c1ccc2ccccc2c1 ZINC000186801487 822957766 /nfs/dbraw/zinc/95/77/66/822957766.db2.gz FWOOBOILLGZZKJ-QZTJIDSGSA-N 1 0 398.572 4.004 20 0 GIADRO C[NH+]1CCN(c2ccc(NC(=O)C=C(C3CC3)C3CC3)c(C(F)(F)F)c2)CC1 ZINC000055403192 822957906 /nfs/dbraw/zinc/95/79/06/822957906.db2.gz HSLSUZDNZLDOLI-UHFFFAOYSA-N 1 0 393.453 4.142 20 0 GIADRO O=C(CC[N@@H+]1CCC[C@H]1[C@H]1CCCOC1)NC(c1ccccc1)c1ccccc1 ZINC000569719385 822958587 /nfs/dbraw/zinc/95/85/87/822958587.db2.gz FGPOGPDEGJGKSH-GOTSBHOMSA-N 1 0 392.543 4.173 20 0 GIADRO C[C@@H]1CN(C(=O)c2sc(-c3ccco3)nc2-c2ccccc2)C[C@@]1(C)C[NH3+] ZINC000569723175 822959153 /nfs/dbraw/zinc/95/91/53/822959153.db2.gz DPXSUJLZQLLJJS-SPLOXXLWSA-N 1 0 381.501 4.127 20 0 GIADRO Cc1cnc([C@@H](NC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)C2CC2)s1 ZINC000175401314 822959780 /nfs/dbraw/zinc/95/97/80/822959780.db2.gz YITZJOZZOQVSPL-IBGZPJMESA-N 1 0 386.565 4.242 20 0 GIADRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)N1Cc2ccc(Cl)cc2C1 ZINC000458116613 822959832 /nfs/dbraw/zinc/95/98/32/822959832.db2.gz XFHKYTDMPBRPOP-HNNXBMFYSA-N 1 0 389.952 4.339 20 0 GIADRO COc1ccc(C[N@H+](C)[C@@H](C)c2ccc([S@@](C)=O)cc2)cc1Br ZINC000175403549 822960597 /nfs/dbraw/zinc/96/05/97/822960597.db2.gz TWDWGTSJABSGBU-ZAMGYDSWSA-N 1 0 396.350 4.388 20 0 GIADRO C[NH+](C)CCOc1cccc(-c2noc(CO[C@H]3CCCc4ccccc43)n2)c1 ZINC000569739382 822961452 /nfs/dbraw/zinc/96/14/52/822961452.db2.gz OUVSQGJHVADJCV-NRFANRHFSA-N 1 0 393.487 4.271 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)N2[C@H](C)[C@@H](CC(F)(F)F)C[C@@H]2C)c1 ZINC000458139205 822961779 /nfs/dbraw/zinc/96/17/79/822961779.db2.gz KMTMFUZMPWLCAA-HDMKZQKVSA-N 1 0 385.474 4.399 20 0 GIADRO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000569741964 822962201 /nfs/dbraw/zinc/96/22/01/822962201.db2.gz DZVCZGNIQRJRGS-CQSZACIVSA-N 1 0 384.351 4.271 20 0 GIADRO COc1cc(C)c(NC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)cc1F ZINC000186827505 822962512 /nfs/dbraw/zinc/96/25/12/822962512.db2.gz CIOWLEPDVYMYKP-UHFFFAOYSA-N 1 0 399.510 4.315 20 0 GIADRO CC[C@H]([NH2+]Cc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1)c1cccc(F)c1 ZINC000569753615 822963896 /nfs/dbraw/zinc/96/38/96/822963896.db2.gz XFVHVIJJAMIADG-NZQKXSOJSA-N 1 0 395.478 4.292 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCCN(c2ccccc2F)C1)c1ccc(Br)cn1 ZINC000569758691 822964615 /nfs/dbraw/zinc/96/46/15/822964615.db2.gz LHSJZXYHPVYJEK-HIFRSBDPSA-N 1 0 378.289 4.303 20 0 GIADRO CCCOc1ccc(OCC[N@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)cc1 ZINC000175423989 822965369 /nfs/dbraw/zinc/96/53/69/822965369.db2.gz ZBWNOHKHDSFDNI-QUGAMOGWSA-N 1 0 375.534 4.285 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)C(C)(C)C)cc1 ZINC000055458932 822965905 /nfs/dbraw/zinc/96/59/05/822965905.db2.gz CMVVHQFSKGZYAW-XLIONFOSSA-N 1 0 385.552 4.037 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2C(F)(F)F)C1)c1ccc([S@](C)=O)cc1 ZINC000186849703 822967308 /nfs/dbraw/zinc/96/73/08/822967308.db2.gz GBLZWIUAFSDIGR-GDNUSQEOSA-N 1 0 396.478 4.372 20 0 GIADRO CS(=O)(=O)CCCCC[NH2+][C@@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000186851279 822967526 /nfs/dbraw/zinc/96/75/26/822967526.db2.gz MFIPHGPFOLRFKI-LJQANCHMSA-N 1 0 383.916 4.373 20 0 GIADRO O=C(c1ccc(C[NH2+]Cc2cc(Br)ccc2F)cc1)N1CCCC1 ZINC000055472611 822967771 /nfs/dbraw/zinc/96/77/71/822967771.db2.gz KCVNPFFLYMGSCK-UHFFFAOYSA-N 1 0 391.284 4.114 20 0 GIADRO Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(OCC[NH+](C)C)c(C)c1 ZINC000458202129 822968216 /nfs/dbraw/zinc/96/82/16/822968216.db2.gz VFDLHZDVSRXYNT-UHFFFAOYSA-N 1 0 379.460 4.151 20 0 GIADRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(NC(=O)Nc2ccccc2)s1 ZINC000175436207 822968580 /nfs/dbraw/zinc/96/85/80/822968580.db2.gz QPKWLFXFIQWHEX-IAGOWNOFSA-N 1 0 398.532 4.091 20 0 GIADRO C[C@@H](c1ccc(Cl)cc1)[C@H](C)[N@H+](C)Cc1csc(CC(=O)N(C)C)n1 ZINC000175436203 822968624 /nfs/dbraw/zinc/96/86/24/822968624.db2.gz MLNLZYGSDBUQEJ-KGLIPLIRSA-N 1 0 379.957 4.051 20 0 GIADRO C[C@H](Oc1ccccc1NC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1)C(F)(F)F ZINC000569792073 822969683 /nfs/dbraw/zinc/96/96/83/822969683.db2.gz WEQASQXUGZWXLE-UXLLHSPISA-N 1 0 399.457 4.402 20 0 GIADRO C[C@H](Cc1coc2ccccc12)[NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000569794059 822969931 /nfs/dbraw/zinc/96/99/31/822969931.db2.gz YYJSNTUUPRJGEU-BEFAXECRSA-N 1 0 390.462 4.366 20 0 GIADRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2[nH]ccc2-c2c(Cl)cccc2Cl)C1 ZINC000458222221 822970655 /nfs/dbraw/zinc/97/06/55/822970655.db2.gz QFKHWYSZCOAMFV-ZDUSSCGKSA-N 1 0 380.319 4.450 20 0 GIADRO C[C@@H](Cc1ccccc1Cl)C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000569802784 822971161 /nfs/dbraw/zinc/97/11/61/822971161.db2.gz DTPIWMNYMLZHFX-ZAAXVRCTSA-N 1 0 388.914 4.167 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)Cc1c[nH]c2cccc(Cl)c12 ZINC000458233549 822971865 /nfs/dbraw/zinc/97/18/65/822971865.db2.gz XYDSXQXYLABLPG-UHFFFAOYSA-N 1 0 375.925 4.016 20 0 GIADRO CC[NH+](CC)CCOc1ccc(NC(=O)c2sc([C@H](C)OC)nc2C)cc1 ZINC000175457882 822973825 /nfs/dbraw/zinc/97/38/25/822973825.db2.gz XQZOWCBFRAIXMJ-HNNXBMFYSA-N 1 0 391.537 4.132 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(Cl)nc1Cl ZINC000175457718 822973881 /nfs/dbraw/zinc/97/38/81/822973881.db2.gz SPSBMEVSVPYPAA-MRXNPFEDSA-N 1 0 392.330 4.373 20 0 GIADRO CCCC[C@H]1CCC[C@H]1NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458260633 822974808 /nfs/dbraw/zinc/97/48/08/822974808.db2.gz WKEUFWFPAQABIP-DOTOQJQBSA-N 1 0 377.495 4.404 20 0 GIADRO Cc1cc(NC(=O)Cc2csc(Cc3ccccc3)n2)ccc1C[NH+](C)C ZINC000458264035 822975212 /nfs/dbraw/zinc/97/52/12/822975212.db2.gz BPDWLHZHZGAJQV-UHFFFAOYSA-N 1 0 379.529 4.285 20 0 GIADRO CN1C(=O)CCc2cc(C[NH+]3CCC(C(=O)c4ccc(Cl)cc4)CC3)ccc21 ZINC000186895906 822976324 /nfs/dbraw/zinc/97/63/24/822976324.db2.gz WWMLTKYGSSIKRW-UHFFFAOYSA-N 1 0 396.918 4.344 20 0 GIADRO Cc1ccc([C@H]2[C@@H](C)CCC[N@@H+]2CC(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1 ZINC000569857922 822976887 /nfs/dbraw/zinc/97/68/87/822976887.db2.gz LKBNSMFIQVUSRH-FDDCHVKYSA-N 1 0 393.531 4.109 20 0 GIADRO C[C@H](C(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1ccc(Cl)s1 ZINC000175472344 822977140 /nfs/dbraw/zinc/97/71/40/822977140.db2.gz OFPFGBCBBJNMCZ-HNNXBMFYSA-N 1 0 376.953 4.328 20 0 GIADRO COCCSc1ccc([C@@H](C)NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000569863317 822977773 /nfs/dbraw/zinc/97/77/73/822977773.db2.gz GDWNCJHSPABGCU-WIYYLYMNSA-N 1 0 398.572 4.124 20 0 GIADRO C[C@H](NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000175476360 822978173 /nfs/dbraw/zinc/97/81/73/822978173.db2.gz MFQONDJAAQBAOL-INIZCTEOSA-N 1 0 387.474 4.332 20 0 GIADRO CO[C@H](C)[C@@H](C)[NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C(C)C ZINC000569866210 822978361 /nfs/dbraw/zinc/97/83/61/822978361.db2.gz CFZSSQWQVDIJOA-ZIAGYGMSSA-N 1 0 380.330 4.271 20 0 GIADRO CN1C(=O)CCc2cc(C[N@H+](C)CCCc3cc(-c4ccccc4)n[nH]3)ccc21 ZINC000186910462 822978633 /nfs/dbraw/zinc/97/86/33/822978633.db2.gz GZQMGMYZEGUWNZ-UHFFFAOYSA-N 1 0 388.515 4.050 20 0 GIADRO COc1cccc(-c2nc(C(=O)Nc3ccc(C[NH+](C)C)c(C)c3)c(C)[nH]2)c1 ZINC000458287937 822978598 /nfs/dbraw/zinc/97/85/98/822978598.db2.gz PKELXIBRCVHJEF-UHFFFAOYSA-N 1 0 378.476 4.016 20 0 GIADRO COc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@@H](c2ccccc2)C2CC2)cc1 ZINC000569872089 822978825 /nfs/dbraw/zinc/97/88/25/822978825.db2.gz BFPWPUFNUFWXQG-XZOQPEGZSA-N 1 0 376.504 4.202 20 0 GIADRO Cc1noc(C)c1COc1ccccc1C(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000458290799 822979067 /nfs/dbraw/zinc/97/90/67/822979067.db2.gz SEEKYIJEKYPSLU-UHFFFAOYSA-N 1 0 393.487 4.493 20 0 GIADRO COc1ccc(Br)cc1CC(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000458294288 822979767 /nfs/dbraw/zinc/97/97/67/822979767.db2.gz VTWZYZWVOKJOKE-UHFFFAOYSA-N 1 0 391.309 4.009 20 0 GIADRO Cc1cc(NC(=O)Cc2cc(Br)ccc2F)ccc1C[NH+](C)C ZINC000458294115 822979808 /nfs/dbraw/zinc/97/98/08/822979808.db2.gz VHRFTOIKHWUFCJ-UHFFFAOYSA-N 1 0 379.273 4.139 20 0 GIADRO Brc1cnn(CCC[NH2+]Cc2csc(-c3cccs3)n2)c1 ZINC000569883144 822980181 /nfs/dbraw/zinc/98/01/81/822980181.db2.gz CZSWKVCWWHFAJM-UHFFFAOYSA-N 1 0 383.340 4.011 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)[C@H](OC(C)(C)C)c2ccccc2)cc1F ZINC000458301290 822980560 /nfs/dbraw/zinc/98/05/60/822980560.db2.gz VVYNIHKUUUVJCR-HXUWFJFHSA-N 1 0 388.483 4.261 20 0 GIADRO CN(C)c1cc(Cl)cc(Cl)c1C[NH2+]CCCc1nnc2n1CCCCC2 ZINC000569892303 822981618 /nfs/dbraw/zinc/98/16/18/822981618.db2.gz KNSRYURYPLEBMF-UHFFFAOYSA-N 1 0 396.366 4.100 20 0 GIADRO O[C@@H](C[NH2+][C@H]1CCOc2c(Cl)cccc21)Cc1ccc(C(F)(F)F)cc1 ZINC000569897977 822982856 /nfs/dbraw/zinc/98/28/56/822982856.db2.gz SWZVRTHFNNZSFP-PBHICJAKSA-N 1 0 385.813 4.376 20 0 GIADRO O[C@H](C[NH2+][C@H]1CCOc2c(Cl)cccc21)Cc1ccc(C(F)(F)F)cc1 ZINC000569897980 822982929 /nfs/dbraw/zinc/98/29/29/822982929.db2.gz SWZVRTHFNNZSFP-YOEHRIQHSA-N 1 0 385.813 4.376 20 0 GIADRO CCC[N@H+](CC)Cc1ccc(C(=O)Nc2ccc(F)cc2N2CCOCC2)cc1 ZINC000458326845 822983477 /nfs/dbraw/zinc/98/34/77/822983477.db2.gz VTCIFOJWVLCKRM-UHFFFAOYSA-N 1 0 399.510 4.147 20 0 GIADRO COc1ccccc1-c1ccc([C@H](C)NC(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000569911549 822984879 /nfs/dbraw/zinc/98/48/79/822984879.db2.gz QTXWMYVELLEMHF-SQGPQFPESA-N 1 0 381.520 4.111 20 0 GIADRO C[C@@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1ncc(Br)cc1F ZINC000186949603 822985120 /nfs/dbraw/zinc/98/51/20/822985120.db2.gz IJZGEAHGHZCXGQ-CQSZACIVSA-N 1 0 392.316 4.430 20 0 GIADRO Cc1csc(CCCC[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)n1 ZINC000569921487 822986047 /nfs/dbraw/zinc/98/60/47/822986047.db2.gz UXGDFWNJOGAJGK-ZDUSSCGKSA-N 1 0 389.348 4.111 20 0 GIADRO CCc1nc(C)c([C@H](C)N(C)C(=O)NCCCC[NH+]2CCC(C)CC2)s1 ZINC000175512264 822987825 /nfs/dbraw/zinc/98/78/25/822987825.db2.gz CDMHLSZBYLGKRD-KRWDZBQOSA-N 1 0 380.602 4.228 20 0 GIADRO COC(=O)c1csc([C@H](C)[NH2+]CCNc2cccc(Br)c2)c1 ZINC000569948985 822988810 /nfs/dbraw/zinc/98/88/10/822988810.db2.gz BXCFFMPRGBMAHK-NSHDSACASA-N 1 0 383.311 4.060 20 0 GIADRO COc1ccc(C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)c(C)c1OC ZINC000569951084 822989322 /nfs/dbraw/zinc/98/93/22/822989322.db2.gz LQTRRJXISJAUPW-UHFFFAOYSA-N 1 0 396.531 4.174 20 0 GIADRO C[NH+](C)C[C@@H](NC(=O)Nc1ccc(F)cc1C(F)(F)F)c1ccc(F)cc1 ZINC000569952917 822989472 /nfs/dbraw/zinc/98/94/72/822989472.db2.gz YQSPVUDGUGVJGX-MRXNPFEDSA-N 1 0 387.352 4.408 20 0 GIADRO C[NH+](C)CCn1nccc1NC(=O)c1ccc(-c2nc3ccccc3s2)s1 ZINC000569956367 822989784 /nfs/dbraw/zinc/98/97/84/822989784.db2.gz MOVRMLYVCBFISO-UHFFFAOYSA-N 1 0 397.529 4.035 20 0 GIADRO C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000569957540 822989877 /nfs/dbraw/zinc/98/98/77/822989877.db2.gz IIPBCNZANIITGP-LLVKDONJSA-N 1 0 381.954 4.383 20 0 GIADRO COc1ccccc1CC(=O)N1CCC([NH2+][C@H]2C[C@@H](C)c3ccccc32)CC1 ZINC000569964707 822990643 /nfs/dbraw/zinc/99/06/43/822990643.db2.gz OEUYCUGSPGPFES-VGSWGCGISA-N 1 0 378.516 4.067 20 0 GIADRO Fc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H]2CCc3nc[nH]c3C2)cc1 ZINC000569973209 822991858 /nfs/dbraw/zinc/99/18/58/822991858.db2.gz AERQWQMOVCCUHA-IBGZPJMESA-N 1 0 387.462 4.049 20 0 GIADRO C[C@@H](CC(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1)c1cnn(C)c1 ZINC000569976587 822992236 /nfs/dbraw/zinc/99/22/36/822992236.db2.gz PUTQPQVBDLJYAO-KRWDZBQOSA-N 1 0 386.565 4.130 20 0 GIADRO O=C(c1cc(Cl)c[nH]1)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000175533722 822992546 /nfs/dbraw/zinc/99/25/46/822992546.db2.gz DCFBKVUFALDHAM-HNNXBMFYSA-N 1 0 399.844 4.195 20 0 GIADRO O=C(c1cccs1)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000175534409 822992599 /nfs/dbraw/zinc/99/25/99/822992599.db2.gz UUMDMWUFHFGNKK-INIZCTEOSA-N 1 0 382.451 4.275 20 0 GIADRO O=C(/C=C/c1ccco1)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000175535141 822992813 /nfs/dbraw/zinc/99/28/13/822992813.db2.gz XTDDZJGWSAZOFY-GFOMBABLSA-N 1 0 392.421 4.206 20 0 GIADRO C[C@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccc(Br)cc1 ZINC000175536541 822993007 /nfs/dbraw/zinc/99/30/07/822993007.db2.gz IYGMZZYGIVUJEH-AWEZNQCLSA-N 1 0 394.357 4.216 20 0 GIADRO Cc1cccnc1[C@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(C)C ZINC000175542435 822993856 /nfs/dbraw/zinc/99/38/56/822993856.db2.gz LQLXTDVPRQUSIX-CEMLEFRQSA-N 1 0 394.563 4.439 20 0 GIADRO Cc1cc2cc(CNC(=O)NC[C@H](c3cccs3)[NH+]3CCCC3)ccc2[nH]1 ZINC000569997495 822994613 /nfs/dbraw/zinc/99/46/13/822994613.db2.gz HHWTWUBQVKZUQV-LJQANCHMSA-N 1 0 382.533 4.174 20 0 GIADRO CN(CC1([NH+](C)C)CCC1)C(=O)c1cccnc1SCc1ccc(F)cc1 ZINC000187004656 822995768 /nfs/dbraw/zinc/99/57/68/822995768.db2.gz KECLSVRXEFQDJA-UHFFFAOYSA-N 1 0 387.524 4.069 20 0 GIADRO CSC1(CNC(=O)C[C@@H](C)c2cccc(C(F)(F)F)c2)CC[NH+](C)CC1 ZINC000570014424 822997055 /nfs/dbraw/zinc/99/70/55/822997055.db2.gz LVZUHVJMPCOBTA-CQSZACIVSA-N 1 0 388.499 4.143 20 0 GIADRO CCOCCC[N@@H+]1CC[C@@H](NCc2csc(-c3ccccc3F)n2)[C@H](C)C1 ZINC000187010952 822997245 /nfs/dbraw/zinc/99/72/45/822997245.db2.gz ZMQIPQAOCNPAAY-OXQOHEQNSA-N 1 0 391.556 4.176 20 0 GIADRO CCNC(=O)COc1ccc(C[NH2+][C@@H](c2ccc(C)cc2)C2CCC2)cc1OC ZINC000187014954 822997611 /nfs/dbraw/zinc/99/76/11/822997611.db2.gz BQXRXNYNZQPWHA-XMMPIXPASA-N 1 0 396.531 4.150 20 0 GIADRO COc1cccc(C[NH2+][C@@H](C)c2cc(Br)cc(C)c2O)c1OC ZINC000187030094 823000786 /nfs/dbraw/zinc/00/07/86/823000786.db2.gz STNJVEJXCOLDKL-LBPRGKRZSA-N 1 0 380.282 4.331 20 0 GIADRO C[C@H](c1ccccc1Cl)N(C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2)C1CC1 ZINC000570064787 823002126 /nfs/dbraw/zinc/00/21/26/823002126.db2.gz UZLTUOHHHMNOJP-UKRRQHHQSA-N 1 0 384.911 4.309 20 0 GIADRO COc1ccc2ccccc2c1CNC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000175585487 823002445 /nfs/dbraw/zinc/00/24/45/823002445.db2.gz ODXQJSTURLOIRQ-UHFFFAOYSA-N 1 0 381.520 4.055 20 0 GIADRO CCN(C(=O)C[NH2+][C@H](CCO)c1ccc(Cl)cc1)[C@@H](C)c1ccc(F)cc1 ZINC000570068810 823002751 /nfs/dbraw/zinc/00/27/51/823002751.db2.gz KBICXAGISDHSOT-MGPUTAFESA-N 1 0 392.902 4.102 20 0 GIADRO COCc1ccc(CNC(=O)C[NH2+][C@@H](C)c2ccc(F)c3ccccc32)cc1 ZINC000570076653 823003767 /nfs/dbraw/zinc/00/37/67/823003767.db2.gz CRSNVEGZQRQQEH-INIZCTEOSA-N 1 0 380.463 4.092 20 0 GIADRO Cc1cc(=O)[nH]c2cc(C(=O)NC[C@@H]3CCC[N@@H+]3CC3CCCCC3)ccc12 ZINC000570075632 823003836 /nfs/dbraw/zinc/00/38/36/823003836.db2.gz IAPBNHIEWYALTJ-IBGZPJMESA-N 1 0 381.520 4.023 20 0 GIADRO Cn1c2ccc(C[N@H+](CCc3ccccc3)Cc3ccncc3)cc2sc1=O ZINC000570084766 823004467 /nfs/dbraw/zinc/00/44/67/823004467.db2.gz NABACJBVYQLJBH-UHFFFAOYSA-N 1 0 389.524 4.240 20 0 GIADRO C[C@@H]([NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1)C1CCSCC1 ZINC000187057180 823004797 /nfs/dbraw/zinc/00/47/97/823004797.db2.gz YQYUVLJZBJTPKJ-CABCVRRESA-N 1 0 383.399 4.397 20 0 GIADRO C[C@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccc(OC(F)F)cc1 ZINC000175611446 823006315 /nfs/dbraw/zinc/00/63/15/823006315.db2.gz AOCBHGDKBFIMTN-AWEZNQCLSA-N 1 0 381.467 4.055 20 0 GIADRO COCCOc1ccc(NC(=O)N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)c(C)c1 ZINC000570115367 823007144 /nfs/dbraw/zinc/00/71/44/823007144.db2.gz BJZMKBUINTWEQF-GCJKJVERSA-N 1 0 399.535 4.142 20 0 GIADRO C[C@@H]([NH2+]C[C@@H]1CC2c3ccccc3C1c1ccccc12)C1CCS(=O)(=O)CC1 ZINC000187083765 823008367 /nfs/dbraw/zinc/00/83/67/823008367.db2.gz QHCKDQXUUQJGDP-NRVKYCAMSA-N 1 0 395.568 4.087 20 0 GIADRO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@@H+]1CCc1c(C)nc2ccccn2c1=O ZINC000570130564 823008613 /nfs/dbraw/zinc/00/86/13/823008613.db2.gz SESAQGOBKZMCET-UTKZUKDTSA-N 1 0 391.515 4.027 20 0 GIADRO COC(=O)c1ccccc1CC[NH+]1CCC(c2noc3cc(F)ccc32)CC1 ZINC000570130042 823008623 /nfs/dbraw/zinc/00/86/23/823008623.db2.gz IFVDZFSEJALXAC-UHFFFAOYSA-N 1 0 382.435 4.176 20 0 GIADRO C[C@@H]([NH2+][C@H](c1ccsc1)c1ccc(Cl)cc1)C1CCS(=O)(=O)CC1 ZINC000187091434 823009600 /nfs/dbraw/zinc/00/96/00/823009600.db2.gz URMVUJXLCGTULG-ACJLOTCBSA-N 1 0 383.966 4.294 20 0 GIADRO C[C@@H](c1cccc(O)c1)N(C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000175633759 823010213 /nfs/dbraw/zinc/01/02/13/823010213.db2.gz GEIQJSFKUNAWKR-LQWHRVPQSA-N 1 0 381.520 4.148 20 0 GIADRO COc1ccc([C@H](C)N(C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000175634779 823010328 /nfs/dbraw/zinc/01/03/28/823010328.db2.gz ZCMNAZOGCWAROO-XQBPLPMBSA-N 1 0 395.547 4.451 20 0 GIADRO CN1C(=O)CCc2cc(C[NH2+]C3CCN(Cc4ccc(Cl)cc4)CC3)ccc21 ZINC000187104154 823010953 /nfs/dbraw/zinc/01/09/53/823010953.db2.gz YJWLBEJKGBIJDX-UHFFFAOYSA-N 1 0 397.950 4.003 20 0 GIADRO O=C(C[C@@H]1CCCN(c2cc[nH+]c3ccccc32)C1)NCc1ccc(F)cc1 ZINC000570157257 823011282 /nfs/dbraw/zinc/01/12/82/823011282.db2.gz AGICWUMFXRQPLO-SFHVURJKSA-N 1 0 377.463 4.297 20 0 GIADRO Cc1cnc(C(C)(C)NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)s1 ZINC000175646506 823012385 /nfs/dbraw/zinc/01/23/85/823012385.db2.gz LUYWSOUVAGVCRA-CRAIPNDOSA-N 1 0 386.565 4.039 20 0 GIADRO Cc1csc(C(C)(C)NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000175648007 823012716 /nfs/dbraw/zinc/01/27/16/823012716.db2.gz JKHPVIKOSAPYOC-AEFFLSMTSA-N 1 0 386.565 4.039 20 0 GIADRO CN1c2ccc(C[NH2+]Cc3ccc(COc4ccccc4)cc3)cc2CCC1=O ZINC000187122776 823013945 /nfs/dbraw/zinc/01/39/45/823013945.db2.gz AZWLCTDDLMQJLD-UHFFFAOYSA-N 1 0 386.495 4.464 20 0 GIADRO CC[C@H]([NH2+]Cc1ccc(OC)c(OC)c1C)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000570195703 823014148 /nfs/dbraw/zinc/01/41/48/823014148.db2.gz VSGSUCMLKISHJJ-UNMCSNQZSA-N 1 0 394.519 4.070 20 0 GIADRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]Cc1ccc2c(c1)CCC(=O)N2C ZINC000187126469 823014555 /nfs/dbraw/zinc/01/45/55/823014555.db2.gz IVABYTFINGZTJX-AWEZNQCLSA-N 1 0 387.321 4.079 20 0 GIADRO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000570204506 823015019 /nfs/dbraw/zinc/01/50/19/823015019.db2.gz GXUSBNXRSLEVDP-LPHOPBHVSA-N 1 0 383.923 4.112 20 0 GIADRO CN1C(=O)CCc2cc(C[NH2+]Cc3ccc(Oc4ccc(F)cc4)nc3)ccc21 ZINC000187129810 823015118 /nfs/dbraw/zinc/01/51/18/823015118.db2.gz UBQSHWXWSPTICI-UHFFFAOYSA-N 1 0 391.446 4.212 20 0 GIADRO CC1CC[NH+](Cc2ccccc2CNC(=O)c2occc2Br)CC1 ZINC000175667293 823016344 /nfs/dbraw/zinc/01/63/44/823016344.db2.gz VRALAICRSUQINW-UHFFFAOYSA-N 1 0 391.309 4.204 20 0 GIADRO C[C@@H]([NH2+]Cc1ccccc1-c1ccc(Cl)cc1)C1CCS(=O)(=O)CC1 ZINC000187142668 823017018 /nfs/dbraw/zinc/01/70/18/823017018.db2.gz DRMIFSWPEFWOBG-OAHLLOKOSA-N 1 0 377.937 4.310 20 0 GIADRO CN1CCCc2cc(NC(=O)NC[C@H]3CCC[N@H+](C)[C@@H]3c3cccs3)ccc21 ZINC000175674160 823017634 /nfs/dbraw/zinc/01/76/34/823017634.db2.gz GHUAOXNWOUCQKH-UTKZUKDTSA-N 1 0 398.576 4.335 20 0 GIADRO COc1ccc(COCCC[NH2+][C@@H](C)c2ncc(Br)cc2F)cc1 ZINC000187147786 823017715 /nfs/dbraw/zinc/01/77/15/823017715.db2.gz VWGBYXNNIPAKCQ-ZDUSSCGKSA-N 1 0 397.288 4.249 20 0 GIADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H]2CCSc3cc(C)c(C)cc32)c1 ZINC000187148835 823017754 /nfs/dbraw/zinc/01/77/54/823017754.db2.gz LZIPJGIWYRVFMN-HNAYVOBHSA-N 1 0 390.574 4.099 20 0 GIADRO C[C@@H]1C[N@H+](CCOc2ccc(Oc3ccccc3)cc2)CC2(CCOCC2)O1 ZINC000570244299 823018432 /nfs/dbraw/zinc/01/84/32/823018432.db2.gz XESBFDXIVLBUOK-LJQANCHMSA-N 1 0 383.488 4.128 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCc1ncc(C(C)(C)C)o1 ZINC000187156958 823018666 /nfs/dbraw/zinc/01/86/66/823018666.db2.gz KEDMJPKJHYJBDA-FQEVSTJZSA-N 1 0 397.563 4.275 20 0 GIADRO Cc1csc(Nc2ccc(C(=O)NCc3ccccc3C[NH+](C)C)cc2)n1 ZINC000570248567 823018962 /nfs/dbraw/zinc/01/89/62/823018962.db2.gz VAFDWIUTQSOZSY-UHFFFAOYSA-N 1 0 380.517 4.187 20 0 GIADRO CN1C(=O)CCc2cc(C[NH2+][C@H]3CCCc4cc(OC(F)F)ccc43)ccc21 ZINC000187173986 823020682 /nfs/dbraw/zinc/02/06/82/823020682.db2.gz OUJZSYDZQMDESR-IBGZPJMESA-N 1 0 386.442 4.364 20 0 GIADRO COc1cnccc1[C@H](C)NC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000187174461 823020687 /nfs/dbraw/zinc/02/06/87/823020687.db2.gz RUYIZADUTAQFKB-ROUUACIJSA-N 1 0 396.535 4.114 20 0 GIADRO FC(F)Oc1ccc(-c2noc([C@@H]3CCC[N@H+](Cc4ccccc4)C3)n2)nc1 ZINC000570271523 823021405 /nfs/dbraw/zinc/02/14/05/823021405.db2.gz SVHUJEITFUTWTI-OAHLLOKOSA-N 1 0 386.402 4.113 20 0 GIADRO C[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccc(Cl)cc1Cl ZINC000570273438 823021754 /nfs/dbraw/zinc/02/17/54/823021754.db2.gz WPNQSVPKUQGFBD-GDBMZVCRSA-N 1 0 392.330 4.478 20 0 GIADRO CSc1ccc(NC(=O)C(=O)Nc2cccc3c2C[N@@H+]([C@H](C)C(C)C)C3)cc1 ZINC000187181886 823021809 /nfs/dbraw/zinc/02/18/09/823021809.db2.gz KWIVTPVUCGGSSP-OAHLLOKOSA-N 1 0 397.544 4.346 20 0 GIADRO CCC(CC)[C@H](CNC(=O)Nc1ccc(Oc2ncccn2)cc1C)[NH+](C)C ZINC000175693915 823021885 /nfs/dbraw/zinc/02/18/85/823021885.db2.gz LSNVKIYRGLMVSF-IBGZPJMESA-N 1 0 385.512 4.065 20 0 GIADRO CC[C@H](NC(=O)N1CCc2ccccc2[C@@H]1C[NH3+])c1ccccc1OC(F)F ZINC000570277313 823021973 /nfs/dbraw/zinc/02/19/73/823021973.db2.gz HWMIZLQDCXJNAF-ROUUACIJSA-N 1 0 389.446 4.007 20 0 GIADRO CCO[C@@H]1C[C@]([NH3+])(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1(C)C ZINC000187189314 823022606 /nfs/dbraw/zinc/02/26/06/823022606.db2.gz SVWAUCSXHOBWNE-DOMZBBRYSA-N 1 0 398.347 4.195 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)C1(c2ccc(C(F)(F)F)cc2)CC1)c1cccs1 ZINC000187188437 823022619 /nfs/dbraw/zinc/02/26/19/823022619.db2.gz MJPAPQJHLGFHIA-HNNXBMFYSA-N 1 0 382.451 4.218 20 0 GIADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CCCCc1nc(C)cs1 ZINC000187189290 823022695 /nfs/dbraw/zinc/02/26/95/823022695.db2.gz QUEOXPDICAQSSC-UHFFFAOYSA-N 1 0 386.970 4.011 20 0 GIADRO COc1cccc(N2CCC[C@@H]([NH2+][C@@H](C)c3cncc(Br)c3)C2)c1 ZINC000570291875 823023112 /nfs/dbraw/zinc/02/31/12/823023112.db2.gz GAWYZHIRNFSHIO-WMLDXEAASA-N 1 0 390.325 4.172 20 0 GIADRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](Cc2ccc(Cl)cn2)[C@@H]2CCCC[C@@H]12 ZINC000570304611 823024072 /nfs/dbraw/zinc/02/40/72/823024072.db2.gz FCLPZBVCPXZTGR-TYIJSKFUSA-N 1 0 377.960 4.419 20 0 GIADRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H](C)c3ccc(SCC(F)F)cc3)[C@@H]2C1 ZINC000570314776 823024963 /nfs/dbraw/zinc/02/49/63/823024963.db2.gz HUTSCYULZKNNEU-IVJVFBROSA-N 1 0 382.520 4.341 20 0 GIADRO C[C@H]([NH2+]C[C@@]1(C)OCCc2sccc21)c1ccc(NC(=O)NC2CC2)cc1 ZINC000570323092 823025655 /nfs/dbraw/zinc/02/56/55/823025655.db2.gz LCNNTVAYRULODV-LHSJRXKWSA-N 1 0 385.533 4.171 20 0 GIADRO C[C@@H]([NH2+]C[C@]1(C)OCCc2sccc21)c1ccc(NC(=O)NC2CC2)cc1 ZINC000570323098 823025700 /nfs/dbraw/zinc/02/57/00/823025700.db2.gz LCNNTVAYRULODV-SZNDQCEHSA-N 1 0 385.533 4.171 20 0 GIADRO O=C1COc2ccc(CNc3ccc(SCC[NH+]4CCCCC4)cc3)cc2N1 ZINC000570332522 823026437 /nfs/dbraw/zinc/02/64/37/823026437.db2.gz MOGSNHZZXKVZOT-UHFFFAOYSA-N 1 0 397.544 4.208 20 0 GIADRO C[C@@H]([NH2+]CCCSc1nccs1)c1ncc(Br)cc1F ZINC000187222864 823027035 /nfs/dbraw/zinc/02/70/35/823027035.db2.gz IPCFIJHNMFSARE-SECBINFHSA-N 1 0 376.320 4.273 20 0 GIADRO CCCC[NH+]1CCC(NC(=O)Nc2cccc(COCCOC(C)C)c2)CC1 ZINC000175723985 823027250 /nfs/dbraw/zinc/02/72/50/823027250.db2.gz GUQPEXRTSUVLIL-UHFFFAOYSA-N 1 0 391.556 4.014 20 0 GIADRO Cc1cccc([C@@H](NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)C(C)(C)C)c1 ZINC000175729161 823028071 /nfs/dbraw/zinc/02/80/71/823028071.db2.gz QNIXXRWQAIOKAA-JOCHJYFZSA-N 1 0 394.563 4.441 20 0 GIADRO CCSc1ccc([C@@H](C)NC(=O)N2CCC(OCCC[NH+](C)C)CC2)cc1 ZINC000175729953 823028145 /nfs/dbraw/zinc/02/81/45/823028145.db2.gz HUFXQTGYAXOBTM-QGZVFWFLSA-N 1 0 393.597 4.002 20 0 GIADRO C[C@H]([NH2+]C[C@H]1CCCN(C)[C@@H]1c1cccs1)c1cccc(-n2ccnn2)c1 ZINC000570353870 823028249 /nfs/dbraw/zinc/02/82/49/823028249.db2.gz DLPQUEQYLQCGLV-CDXJDZJCSA-N 1 0 381.549 4.063 20 0 GIADRO COc1cccc(O[C@H](C)C[NH2+][C@@H](C)c2ncc(Br)cc2F)c1 ZINC000187257500 823031693 /nfs/dbraw/zinc/03/16/93/823031693.db2.gz ZXXCLBUTMBSSIV-NEPJUHHUSA-N 1 0 383.261 4.110 20 0 GIADRO CC[C@H](C)n1c2ccc(NC(=O)NC[C@@H]3CCC[NH2+]C3)cc2nc1C(F)(F)F ZINC000570380904 823031754 /nfs/dbraw/zinc/03/17/54/823031754.db2.gz QTLFRGNHLNKQSE-QWHCGFSZSA-N 1 0 397.445 4.147 20 0 GIADRO Cc1cc(C[NH2+][C@H](C)c2cccc(OC(F)(F)F)c2)ccc1-n1cncn1 ZINC000175752179 823031870 /nfs/dbraw/zinc/03/18/70/823031870.db2.gz KZHVBWIFCREKCN-CQSZACIVSA-N 1 0 376.382 4.325 20 0 GIADRO [NH3+]C[C@@H](NC(=O)N1CCC(OC2CCCCC2)CC1)c1ccc2ccccc2c1 ZINC000570383218 823031969 /nfs/dbraw/zinc/03/19/69/823031969.db2.gz HVKSDCWDWVOFOF-HSZRJFAPSA-N 1 0 395.547 4.363 20 0 GIADRO Cc1ccc(Oc2ccc(-c3nc(CC45CCC[NH+]4CCC5)no3)nc2)cc1 ZINC000570384782 823031979 /nfs/dbraw/zinc/03/19/79/823031979.db2.gz XGCNBPGZYMXOHL-UHFFFAOYSA-N 1 0 376.460 4.403 20 0 GIADRO COc1cc(C[NH2+][C@H](C)c2cccc(OC(F)(F)F)c2)cc(OC)c1OC ZINC000175752961 823032108 /nfs/dbraw/zinc/03/21/08/823032108.db2.gz RWJIPUSXAYBGTA-GFCCVEGCSA-N 1 0 385.382 4.462 20 0 GIADRO Cc1c(C2CC2)nc2ccc(Br)cc2c1C(=O)N[C@H](C)CCC[NH3+] ZINC000570399823 823032922 /nfs/dbraw/zinc/03/29/22/823032922.db2.gz MCGLGABPOWXRBD-LLVKDONJSA-N 1 0 390.325 4.040 20 0 GIADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)[C@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000458374487 823033822 /nfs/dbraw/zinc/03/38/22/823033822.db2.gz JMNVGXFXUPUKGP-ICSRJNTNSA-N 1 0 397.567 4.041 20 0 GIADRO C[C@@H]([NH2+]CC[C@H](C)c1cccc(C(F)(F)F)c1)C1CCS(=O)(=O)CC1 ZINC000187271079 823034062 /nfs/dbraw/zinc/03/40/62/823034062.db2.gz FOHYNWCBZQREMM-UONOGXRCSA-N 1 0 377.472 4.002 20 0 GIADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCc2ccccc2COCc2ccccc2)C1 ZINC000175762648 823034096 /nfs/dbraw/zinc/03/40/96/823034096.db2.gz QAULPJCYASTUPT-DHIUTWEWSA-N 1 0 395.547 4.075 20 0 GIADRO COc1c(Br)cccc1C[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000187271962 823034420 /nfs/dbraw/zinc/03/44/20/823034420.db2.gz AYUAPOILOHMUCU-AWEZNQCLSA-N 1 0 386.293 4.494 20 0 GIADRO Cc1cncc(CCC(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)c1 ZINC000570412734 823034554 /nfs/dbraw/zinc/03/45/54/823034554.db2.gz IWNKYVWYXDPYAE-UHFFFAOYSA-N 1 0 387.911 4.088 20 0 GIADRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)Cc1coc3ccccc13)c1ccccc1O2 ZINC000570418043 823035290 /nfs/dbraw/zinc/03/52/90/823035290.db2.gz ZADGMTCKRUATHP-HXUWFJFHSA-N 1 0 390.483 4.080 20 0 GIADRO Cc1nc(C)c([C@H](C)N(C)C(=O)NCC2CC[NH+](CCC(C)C)CC2)s1 ZINC000175769557 823035777 /nfs/dbraw/zinc/03/57/77/823035777.db2.gz QZQNZNWGDFXEBD-INIZCTEOSA-N 1 0 380.602 4.220 20 0 GIADRO Cc1nc(-c2cccc(NC(=O)N[C@@H](C)[C@H](c3ccccc3C)[NH+](C)C)c2)no1 ZINC000570422513 823035823 /nfs/dbraw/zinc/03/58/23/823035823.db2.gz WRBMLOPOUXZXDC-MGPUTAFESA-N 1 0 393.491 4.166 20 0 GIADRO C[C@@H](CCCc1cccnc1)NC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000458396205 823036359 /nfs/dbraw/zinc/03/63/59/823036359.db2.gz CWZWOGZIOQQRDS-PMACEKPBSA-N 1 0 394.563 4.318 20 0 GIADRO C[C@H](CCCc1cccnc1)NC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000458396214 823036453 /nfs/dbraw/zinc/03/64/53/823036453.db2.gz CWZWOGZIOQQRDS-WOJBJXKFSA-N 1 0 394.563 4.318 20 0 GIADRO Cc1cccc([C@@H](C)NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)c1C ZINC000458409100 823037515 /nfs/dbraw/zinc/03/75/15/823037515.db2.gz LTCMXIDIONONKX-MRXNPFEDSA-N 1 0 385.474 4.423 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCc3ccc(F)c(F)c32)[C@@H]1c1cccs1 ZINC000458417126 823038281 /nfs/dbraw/zinc/03/82/81/823038281.db2.gz FMSMVSRNIOEPED-RDTXWAMCSA-N 1 0 391.487 4.182 20 0 GIADRO COc1ccccc1-c1ccc([C@@H](C)NC(=O)NCC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000458420702 823038427 /nfs/dbraw/zinc/03/84/27/823038427.db2.gz ATUOOZSGWBHWGS-RTBURBONSA-N 1 0 395.547 4.454 20 0 GIADRO CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000175782221 823039162 /nfs/dbraw/zinc/03/91/62/823039162.db2.gz YETAXJCNWVIYJZ-QRWLVFNGSA-N 1 0 393.959 4.122 20 0 GIADRO O=C(NCCCCC[NH+]1CCCCC1)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000458428545 823039228 /nfs/dbraw/zinc/03/92/28/823039228.db2.gz LSHUYRCXFOGBSX-OAQYLSRUSA-N 1 0 397.567 4.456 20 0 GIADRO C[C@@H](O)C[C@H](C[NH2+][C@@H](C)c1ncc(Br)cc1F)c1ccccc1 ZINC000187302613 823039927 /nfs/dbraw/zinc/03/99/27/823039927.db2.gz LYMSCUVKZBUIHB-VNHYZAJKSA-N 1 0 381.289 4.189 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)NC2CCC(C(F)F)CC2)[C@H]1c1cccs1 ZINC000458442168 823040762 /nfs/dbraw/zinc/04/07/62/823040762.db2.gz WAVSYKKLZBKYBB-BJDYSFLHSA-N 1 0 385.524 4.254 20 0 GIADRO COc1ccc([C@H](CCO)[NH2+][C@@H](C)c2cc(Br)cc(C)c2O)cc1 ZINC000187310493 823041157 /nfs/dbraw/zinc/04/11/57/823041157.db2.gz OPBPIOHAWLZHOG-UGSOOPFHSA-N 1 0 394.309 4.246 20 0 GIADRO COc1ccc(C[NH+](C)C)cc1NC(=O)Cc1cc(Br)ccc1C ZINC000570475091 823043178 /nfs/dbraw/zinc/04/31/78/823043178.db2.gz ROTUHRZOVVXGIT-UHFFFAOYSA-N 1 0 391.309 4.009 20 0 GIADRO CN(C(=O)NCCCCC1CCCC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458460113 823043252 /nfs/dbraw/zinc/04/32/52/823043252.db2.gz DRSXADBZXBHDQL-UHFFFAOYSA-N 1 0 377.495 4.405 20 0 GIADRO CCCC[N@H+](C)C[C@H](C)NC(=O)Nc1ccc(-c2nc(C3CC3)no2)cc1C ZINC000570481577 823044041 /nfs/dbraw/zinc/04/40/41/823044041.db2.gz OIXWFKWBPMFFOX-HNNXBMFYSA-N 1 0 385.512 4.164 20 0 GIADRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@H]1C[C@]12CCc1ccccc12 ZINC000175803625 823044079 /nfs/dbraw/zinc/04/40/79/823044079.db2.gz MQXYYWZGHQVNTR-QPPBQGQZSA-N 1 0 392.568 4.386 20 0 GIADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)COc2ccccc2-c2ccccc2)C1 ZINC000060566942 823543248 /nfs/dbraw/zinc/54/32/48/823543248.db2.gz LJKJQKJSCKMJGZ-HXUWFJFHSA-N 1 0 380.532 4.361 20 0 GIADRO CC(C)c1ccc(C[C@@H]2CCN(C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)cc1 ZINC000460924069 823543366 /nfs/dbraw/zinc/54/33/66/823543366.db2.gz FPCFBNVGEJKCDR-ZSJMHYJMSA-N 1 0 383.580 4.399 20 0 GIADRO CCCCOc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(-n3cnnn3)cc2)cc1OC ZINC000177899315 823543523 /nfs/dbraw/zinc/54/35/23/823543523.db2.gz GVNKTKJEWAZWRG-IAGOWNOFSA-N 1 0 395.507 4.262 20 0 GIADRO Cc1c([C@H](C)[NH2+]Cc2cccnc2-n2cccn2)cnn1-c1cccc(Cl)c1 ZINC000177902280 823544041 /nfs/dbraw/zinc/54/40/41/823544041.db2.gz ONKJABIWIFFQQK-HNNXBMFYSA-N 1 0 392.894 4.266 20 0 GIADRO C[N@@H+]1CC[C@@H](CNC(=O)c2cccc3ncccc32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123835474 823544250 /nfs/dbraw/zinc/54/42/50/823544250.db2.gz JIHKFQOHLQQCKM-BTYIYWSLSA-N 1 0 397.881 4.450 20 0 GIADRO COc1ccc(-c2nc(C(=O)NCCCC[NH+]3CCC(C)CC3)cs2)cc1 ZINC000060577545 823544308 /nfs/dbraw/zinc/54/43/08/823544308.db2.gz SPSWRPQIKWOCME-UHFFFAOYSA-N 1 0 387.549 4.061 20 0 GIADRO CCN(Cc1c[nH]c2ccccc12)C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000190162186 823544865 /nfs/dbraw/zinc/54/48/65/823544865.db2.gz IQEMEBKKUPBVRA-NRFANRHFSA-N 1 0 382.483 4.141 20 0 GIADRO Cc1cc(SC(C)(C)C)ccc1NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000190165661 823545268 /nfs/dbraw/zinc/54/52/68/823545268.db2.gz USKJICQBJRIOJO-MRXNPFEDSA-N 1 0 393.597 4.195 20 0 GIADRO C[C@@H]([NH2+]CCCC(=O)Nc1ccc(Cl)cc1)c1ccc([S@](C)=O)cc1 ZINC000177911170 823545459 /nfs/dbraw/zinc/54/54/59/823545459.db2.gz QNSOPBPTSDILDW-PWECECGKSA-N 1 0 378.925 4.147 20 0 GIADRO Cc1oc(-c2cccs2)nc1C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000060590741 823545732 /nfs/dbraw/zinc/54/57/32/823545732.db2.gz PPJOZLBLEGAMKI-GASCZTMLSA-N 1 0 375.538 4.199 20 0 GIADRO CC(=O)Nc1cccc(C(=O)N(CCC[NH+]2CCCC2)c2ccc(Cl)cc2)c1 ZINC000411102429 823546522 /nfs/dbraw/zinc/54/65/22/823546522.db2.gz OASNZLCOECROBU-UHFFFAOYSA-N 1 0 399.922 4.431 20 0 GIADRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)cc1C ZINC000177921436 823546558 /nfs/dbraw/zinc/54/65/58/823546558.db2.gz QRINYJJPXPVOAM-HSALFYBXSA-N 1 0 380.532 4.404 20 0 GIADRO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000177921751 823546691 /nfs/dbraw/zinc/54/66/91/823546691.db2.gz CQPDHVPTRFRHOF-OTWHNJEPSA-N 1 0 396.531 4.104 20 0 GIADRO C[N@@H+]1CC[C@H](CNC(=O)C2(c3ccccc3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123858822 823546759 /nfs/dbraw/zinc/54/67/59/823546759.db2.gz DMOGIAIQEFYGQZ-UZLBHIALSA-N 1 0 386.898 4.320 20 0 GIADRO CCc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)s1 ZINC000177923951 823546813 /nfs/dbraw/zinc/54/68/13/823546813.db2.gz CCIMTUWAFCHWEO-ZACQAIPSSA-N 1 0 386.561 4.411 20 0 GIADRO C[C@@H]1C[C@H](N(C)CC(=O)Nc2ccccc2Sc2ccccc2)CC[N@@H+]1C ZINC000123866487 823547456 /nfs/dbraw/zinc/54/74/56/823547456.db2.gz AQURTBCAWUNAHE-QZTJIDSGSA-N 1 0 383.561 4.191 20 0 GIADRO Cc1nc2ccc(NC(=O)NC3CC[NH+](Cc4ccccc4C)CC3)cc2o1 ZINC000123868197 823547667 /nfs/dbraw/zinc/54/76/67/823547667.db2.gz AKUVBKMGFNFULE-UHFFFAOYSA-N 1 0 378.476 4.231 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)c1ccccc1CCC(F)(F)F ZINC000411108998 823547847 /nfs/dbraw/zinc/54/78/47/823547847.db2.gz FLABSELSYRFROS-UHFFFAOYSA-N 1 0 384.467 4.447 20 0 GIADRO COc1cc([C@H](C)[NH2+]Cc2ccc(Cn3ccnc3)cc2)ccc1OC(F)F ZINC000177933682 823547924 /nfs/dbraw/zinc/54/79/24/823547924.db2.gz VYCRCZRYLLOHPF-HNNXBMFYSA-N 1 0 387.430 4.392 20 0 GIADRO COCCOc1ccc([C@H](C)[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)cc1 ZINC000177937752 823548500 /nfs/dbraw/zinc/54/85/00/823548500.db2.gz ZYYBRVLTJLZDHY-HJPURHCSSA-N 1 0 383.488 4.285 20 0 GIADRO CC[NH+](CC)CC1CCN(C(=O)c2ncoc2-c2ccccc2Cl)CC1 ZINC000460949285 823548875 /nfs/dbraw/zinc/54/88/75/823548875.db2.gz BOFBJVXGEKKPLX-UHFFFAOYSA-N 1 0 375.900 4.189 20 0 GIADRO Cn1c(CC[NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)nc2cc(F)ccc21 ZINC000123884030 823549199 /nfs/dbraw/zinc/54/91/99/823549199.db2.gz YXSQJMQYJWTYIO-UHFFFAOYSA-N 1 0 383.858 4.088 20 0 GIADRO Cc1cc(NC(=O)C(=O)N[C@H](C)c2cccc3ccccc32)ccc1C[NH+](C)C ZINC000411122855 823549938 /nfs/dbraw/zinc/54/99/38/823549938.db2.gz BKOBEXUEHDFEGO-QGZVFWFLSA-N 1 0 389.499 4.026 20 0 GIADRO Cc1ccc(CC(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)s1 ZINC000123906269 823550710 /nfs/dbraw/zinc/55/07/10/823550710.db2.gz AFLIOWYBXOSJHN-IFXJQAMLSA-N 1 0 380.916 4.201 20 0 GIADRO Cn1c(CC[NH2+]Cc2csc(COc3ccccc3)n2)nc2cc(F)ccc21 ZINC000123908796 823550811 /nfs/dbraw/zinc/55/08/11/823550811.db2.gz IVYBTJIDUNOLDK-UHFFFAOYSA-N 1 0 396.491 4.080 20 0 GIADRO Cc1cc(C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)ccc1NC(=O)CC(C)C ZINC000460962877 823551593 /nfs/dbraw/zinc/55/15/93/823551593.db2.gz XAUXTBOGASHYAI-JENIJYKNSA-N 1 0 387.568 4.076 20 0 GIADRO COc1cc(OC)c([C@H](C)[NH2+][C@H]2CCN(C(=O)C3CCCCC3)C2)cc1Cl ZINC000123920482 823551732 /nfs/dbraw/zinc/55/17/32/823551732.db2.gz XYOBIWZOOJMWHW-HOCLYGCPSA-N 1 0 394.943 4.189 20 0 GIADRO CSC1(CNC(=O)c2cccc(NCC(C)(C)C)c2C)CC[NH+](C)CC1 ZINC000460967188 823552485 /nfs/dbraw/zinc/55/24/85/823552485.db2.gz YGAIDZZNKYIBOQ-UHFFFAOYSA-N 1 0 377.598 4.010 20 0 GIADRO CCOc1cccc(C[NH2+]CCc2nc3cc(F)ccc3n2C)c1OC(F)F ZINC000123927400 823552482 /nfs/dbraw/zinc/55/24/82/823552482.db2.gz UVHLVUGVTZBSNB-UHFFFAOYSA-N 1 0 393.409 4.045 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)[C@H]1CCCc2c(O)cccc21 ZINC000190231159 823553272 /nfs/dbraw/zinc/55/32/72/823553272.db2.gz OVJGWMVEXINHFS-NRFANRHFSA-N 1 0 396.556 4.042 20 0 GIADRO Cc1nc(-c2ccccc2)ccc1C(=O)N(CCc1ccccc1)CC[NH+](C)C ZINC000060713671 823553739 /nfs/dbraw/zinc/55/37/39/823553739.db2.gz CCXIQLYUKPHJNF-UHFFFAOYSA-N 1 0 387.527 4.304 20 0 GIADRO CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@@]2(C)OCCc3sccc32)cc1 ZINC000460974342 823553883 /nfs/dbraw/zinc/55/38/83/823553883.db2.gz TZHIYNCCKBGSKM-JOCHJYFZSA-N 1 0 386.561 4.198 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCN(C(=O)C3CCCCC3)C2)cc1OCC ZINC000123946245 823554113 /nfs/dbraw/zinc/55/41/13/823554113.db2.gz GLZTVPLVEWAWKO-PXNSSMCTSA-N 1 0 388.552 4.316 20 0 GIADRO CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)[N@H+](C)CCCc2ccccc2)c1 ZINC000123949802 823554338 /nfs/dbraw/zinc/55/43/38/823554338.db2.gz DUAQVDHWSJGLKD-IBGZPJMESA-N 1 0 395.547 4.060 20 0 GIADRO COc1cc(C[NH2+]CCc2nc(-c3ccccn3)cs2)ccc1OC(C)C ZINC000123957912 823555215 /nfs/dbraw/zinc/55/52/15/823555215.db2.gz NDBMECRGBSZDDI-UHFFFAOYSA-N 1 0 383.517 4.333 20 0 GIADRO C[NH+]1CCN(Cc2cccc(NCc3ccc(CSC(F)F)o3)c2)CC1 ZINC000123973310 823557053 /nfs/dbraw/zinc/55/70/53/823557053.db2.gz VFCLAHAELDYRLP-UHFFFAOYSA-N 1 0 381.492 4.095 20 0 GIADRO COc1cc(C[NH2+]CCc2nc(-c3ccccn3)cs2)cc(Cl)c1OC ZINC000123976304 823557155 /nfs/dbraw/zinc/55/71/55/823557155.db2.gz FXVSYOTXALUEEB-UHFFFAOYSA-N 1 0 389.908 4.208 20 0 GIADRO C[C@@H]([NH2+][C@@H](CO)Cc1c[nH]c2ccccc12)c1ccc(Br)s1 ZINC000123982532 823557709 /nfs/dbraw/zinc/55/77/09/823557709.db2.gz RHFHKXYIKNXEPP-DGCLKSJQSA-N 1 0 379.323 4.246 20 0 GIADRO O[C@@H](C[C@@H]1CCCCC[N@@H+]1CC1CCC2(CC1)OCCO2)c1cccs1 ZINC000190270526 823558115 /nfs/dbraw/zinc/55/81/15/823558115.db2.gz JUSZMSXXSSEXIW-OALUTQOASA-N 1 0 379.566 4.350 20 0 GIADRO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C[N@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000411224302 823558512 /nfs/dbraw/zinc/55/85/12/823558512.db2.gz KYLCONZBDRATET-RISCZKNCSA-N 1 0 397.466 4.223 20 0 GIADRO CC[C@H](C(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)c1ccc(F)cc1 ZINC000461011461 823558801 /nfs/dbraw/zinc/55/88/01/823558801.db2.gz FSAWJWNFOXHTIX-HMFYCAOWSA-N 1 0 390.543 4.057 20 0 GIADRO CN(C)C(=O)c1ccc(C[NH2+]CC2(c3cc(C(F)(F)F)ccc3Cl)CC2)[nH]1 ZINC000190299379 823560391 /nfs/dbraw/zinc/56/03/91/823560391.db2.gz XKEGJPPAKXPFMJ-UHFFFAOYSA-N 1 0 399.844 4.210 20 0 GIADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000060826653 823560430 /nfs/dbraw/zinc/56/04/30/823560430.db2.gz ISMPBOSTQFNYRU-UHFFFAOYSA-N 1 0 395.547 4.308 20 0 GIADRO CCCCCOc1ccc(C[NH2+]CC(=O)Nc2ccc(F)c(F)c2F)cc1 ZINC000060828598 823560590 /nfs/dbraw/zinc/56/05/90/823560590.db2.gz LLXGVJXZHCABEX-UHFFFAOYSA-N 1 0 380.410 4.401 20 0 GIADRO CCc1ccc([C@@H](C[NH2+]Cc2cccc(OC)c2OC(F)F)N(C)C)cc1 ZINC000060831889 823561011 /nfs/dbraw/zinc/56/10/11/823561011.db2.gz DNZSJPIZUOTAQP-GOSISDBHSA-N 1 0 378.463 4.252 20 0 GIADRO Cc1cn2c(n1)CC[C@@H]([NH2+][C@H](C)c1nnc(-c3ccc(Cl)cc3Cl)o1)C2 ZINC000124034379 823561539 /nfs/dbraw/zinc/56/15/39/823561539.db2.gz YAKFSZRRIDUZOP-DGCLKSJQSA-N 1 0 392.290 4.214 20 0 GIADRO O=C(N[C@H](Cc1ccccc1)c1ccccc1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000411274810 823561523 /nfs/dbraw/zinc/56/15/23/823561523.db2.gz XMMRJZOQBONMOK-XZOQPEGZSA-N 1 0 394.584 4.304 20 0 GIADRO Cc1ccc(NC(=O)c2ccc(C3CCC3)cc2)cc1NC(=O)CC[NH+](C)C ZINC000190311958 823561643 /nfs/dbraw/zinc/56/16/43/823561643.db2.gz MGWNQTNCMZOMDF-UHFFFAOYSA-N 1 0 379.504 4.405 20 0 GIADRO CC[C@@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1)c1ccc(OC)c(OC)c1 ZINC000124038856 823562064 /nfs/dbraw/zinc/56/20/64/823562064.db2.gz FCWWPZLDPXCGCS-SUMWQHHRSA-N 1 0 395.496 4.048 20 0 GIADRO Cc1csc([C@H](NC(=O)[C@H](C)[NH+]2CCC(Cc3ccccc3)CC2)C2CC2)n1 ZINC000461034561 823562660 /nfs/dbraw/zinc/56/26/60/823562660.db2.gz ORENRZPCZTVZDJ-LAUBAEHRSA-N 1 0 397.588 4.362 20 0 GIADRO CC[C@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1c(C)noc1C ZINC000124058027 823563872 /nfs/dbraw/zinc/56/38/72/823563872.db2.gz YDIFJUHRLLIULJ-VTHDOGFWSA-N 1 0 396.535 4.237 20 0 GIADRO CC(C)(C[NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000190336057 823564249 /nfs/dbraw/zinc/56/42/49/823564249.db2.gz UFWPPSAGQQSFRW-UHFFFAOYSA-N 1 0 394.437 4.470 20 0 GIADRO CC(C)(C)C[C@@H]1CCC[N@@H+]1CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000060890065 823564923 /nfs/dbraw/zinc/56/49/23/823564923.db2.gz NTJXJLNXYJSXIL-WMZOPIPTSA-N 1 0 383.492 4.451 20 0 GIADRO COC(=O)c1ccc2c(c1)nc(C[N@@H+]1CCC[C@H]1CC1CCCCC1)[nH]c2=O ZINC000060892993 823565121 /nfs/dbraw/zinc/56/51/21/823565121.db2.gz HZEXPAVPFHIBNC-KRWDZBQOSA-N 1 0 383.492 4.057 20 0 GIADRO Cc1nc(C[N@@H+](C)CC(C)(C)CN2CCOCC2)oc1-c1ccc(Cl)cc1 ZINC000124083528 823566172 /nfs/dbraw/zinc/56/61/72/823566172.db2.gz QQIBQJNDZWTBIS-UHFFFAOYSA-N 1 0 391.943 4.094 20 0 GIADRO Cc1ccc2ncc(C[NH+]3CCC(C(=O)Nc4ccc(O)cc4)CC3)cc2c1 ZINC000411358583 823566277 /nfs/dbraw/zinc/56/62/77/823566277.db2.gz QJJBPELCFIWLSF-UHFFFAOYSA-N 1 0 375.472 4.100 20 0 GIADRO O=C(CC[NH2+]C1(c2ccc(Cl)cc2)CCOCC1)Nc1cccc(F)c1 ZINC000411367044 823566684 /nfs/dbraw/zinc/56/66/84/823566684.db2.gz KODRNKSLWMDNJO-UHFFFAOYSA-N 1 0 376.859 4.103 20 0 GIADRO O=C(CC[NH2+]C1(c2ccc(F)cc2)CC1)Nc1ccccc1Br ZINC000411368613 823566851 /nfs/dbraw/zinc/56/68/51/823566851.db2.gz ONEQELXFDOUOGD-UHFFFAOYSA-N 1 0 377.257 4.196 20 0 GIADRO C[C@H](c1cccc(O)c1)[N@H+](C)CCC(=O)Nc1ccccc1Br ZINC000411368470 823566884 /nfs/dbraw/zinc/56/68/84/823566884.db2.gz JJASDVYLMVWAJS-CYBMUJFWSA-N 1 0 377.282 4.176 20 0 GIADRO COc1cc(C[NH2+]C[C@](C)(O)c2ccsc2)ccc1OCc1cccs1 ZINC000124095482 823567357 /nfs/dbraw/zinc/56/73/57/823567357.db2.gz AMGWBGCRZAGOFM-FQEVSTJZSA-N 1 0 389.542 4.395 20 0 GIADRO C[C@H]1CC(C)(C)C[C@](CO)([NH2+]CCC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000411375818 823567365 /nfs/dbraw/zinc/56/73/65/823567365.db2.gz RQPUHDZPPRBSCL-IFXJQAMLSA-N 1 0 386.458 4.201 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@H](c1ncccc1C)C(C)C ZINC000411384921 823568341 /nfs/dbraw/zinc/56/83/41/823568341.db2.gz WGNHSGQJVUDTSB-IBGZPJMESA-N 1 0 375.900 4.368 20 0 GIADRO CC[C@](C)([NH2+]CCC(=O)Nc1ccc(OC)c(Cl)c1)c1nc(C)cs1 ZINC000411385972 823568514 /nfs/dbraw/zinc/56/85/14/823568514.db2.gz KRPSPIYLIBJSJP-SFHVURJKSA-N 1 0 381.929 4.357 20 0 GIADRO COC(=O)[C@H](C)[C@H]([NH2+]CCc1nc(-c2ccc(Cl)cc2)no1)c1ccccc1 ZINC000411387119 823568584 /nfs/dbraw/zinc/56/85/84/823568584.db2.gz IXHWMVLUESUJJV-KUHUBIRLSA-N 1 0 399.878 4.073 20 0 GIADRO CC[C@@](C)([NH2+]CCC(=O)Nc1ccc(OC)c(Cl)c1)c1nc(C)cs1 ZINC000411385970 823568598 /nfs/dbraw/zinc/56/85/98/823568598.db2.gz KRPSPIYLIBJSJP-GOSISDBHSA-N 1 0 381.929 4.357 20 0 GIADRO COc1ccc(OC)c(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc3c(c2)CCCC3)c1 ZINC000060969434 823570168 /nfs/dbraw/zinc/57/01/68/823570168.db2.gz SHMVIZVRJLDUFF-HOTGVXAUSA-N 1 0 382.504 4.260 20 0 GIADRO O=C(C[C@H](c1ccc(O)cc1)C1CC1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000411400711 823570374 /nfs/dbraw/zinc/57/03/74/823570374.db2.gz OHHYQDYTBBYGTF-DEOSSOPVSA-N 1 0 392.543 4.099 20 0 GIADRO CCCOc1c(Br)cc(C[NH2+]CCc2ccc(O)cc2)cc1OC ZINC000060982850 823571162 /nfs/dbraw/zinc/57/11/62/823571162.db2.gz QRKBVDPJWGOYBX-UHFFFAOYSA-N 1 0 394.309 4.284 20 0 GIADRO CC(C)[N@H+](CCC(=O)Nc1cccc(Br)c1)Cc1cccnc1 ZINC000411411383 823571306 /nfs/dbraw/zinc/57/13/06/823571306.db2.gz UZYRFBIEAONYLZ-UHFFFAOYSA-N 1 0 376.298 4.083 20 0 GIADRO CCOC1CC(CCNC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000190421959 823571434 /nfs/dbraw/zinc/57/14/34/823571434.db2.gz TXDDTMRRFGBXQE-UHFFFAOYSA-N 1 0 387.568 4.067 20 0 GIADRO C[N@H+](CCC(=O)Nc1ccc(OCc2ccccc2)cc1)CCc1ccccn1 ZINC000411414128 823571514 /nfs/dbraw/zinc/57/15/14/823571514.db2.gz HOKBPVCNTFHGNV-UHFFFAOYSA-N 1 0 389.499 4.164 20 0 GIADRO Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1C[NH2+]C[C@@H]1CCCO1 ZINC000061002766 823572166 /nfs/dbraw/zinc/57/21/66/823572166.db2.gz ZYUSTLVKKBXLBF-AWEZNQCLSA-N 1 0 388.726 4.469 20 0 GIADRO CC[C@]1(C)Oc2ccc(NC(=O)N3CCC(CCC[NH+](C)C)CC3)cc2O1 ZINC000190425979 823572267 /nfs/dbraw/zinc/57/22/67/823572267.db2.gz ZLBRJUMUFUWEFK-OAQYLSRUSA-N 1 0 375.513 4.170 20 0 GIADRO C[C@@H](CCc1ccc(Cl)s1)[NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1 ZINC000461081542 823572450 /nfs/dbraw/zinc/57/24/50/823572450.db2.gz MTGZBAQZCPJQSO-AWEZNQCLSA-N 1 0 398.981 4.052 20 0 GIADRO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000190428978 823572462 /nfs/dbraw/zinc/57/24/62/823572462.db2.gz BEVSIOIZMFFVNT-ROUUACIJSA-N 1 0 386.496 4.176 20 0 GIADRO CC[C@@H](c1ccncc1)[N@H+](C)CCC(=O)Nc1ccc(Br)cc1F ZINC000411423115 823572581 /nfs/dbraw/zinc/57/25/81/823572581.db2.gz JMGXLVTUIOTYKQ-KRWDZBQOSA-N 1 0 394.288 4.395 20 0 GIADRO CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H](C)O)cc1F ZINC000061011954 823572649 /nfs/dbraw/zinc/57/26/49/823572649.db2.gz QWWPKXHCFUUYDV-QGZVFWFLSA-N 1 0 397.494 4.328 20 0 GIADRO Fc1ccc(-c2ccc(C[NH2+]C[C@H](c3cccs3)N3CCOCC3)o2)cc1 ZINC000061012649 823572825 /nfs/dbraw/zinc/57/28/25/823572825.db2.gz PIOHTWHQBPMTAO-LJQANCHMSA-N 1 0 386.492 4.310 20 0 GIADRO COc1ccccc1OCC[NH2+]Cc1c(C)nn(Cc2ccccc2Cl)c1C ZINC000061012924 823572834 /nfs/dbraw/zinc/57/28/34/823572834.db2.gz MALDMPZZGMYORA-UHFFFAOYSA-N 1 0 399.922 4.379 20 0 GIADRO COc1ccc([C@@H](C[NH2+]Cc2c[nH]nc2-c2ccccc2)N2CCCCC2)cc1 ZINC000061013604 823572987 /nfs/dbraw/zinc/57/29/87/823572987.db2.gz ZXXUVHVHVYRONT-HSZRJFAPSA-N 1 0 390.531 4.402 20 0 GIADRO CCC[NH+]1CCC(NCc2cc(Br)ccc2OC(F)F)CC1 ZINC000061016525 823573072 /nfs/dbraw/zinc/57/30/72/823573072.db2.gz HMCYSZVKTCUQKI-UHFFFAOYSA-N 1 0 377.273 4.015 20 0 GIADRO CC[C@@H](c1ccncc1)[N@H+](C)CCC(=O)Nc1cccc(Br)c1 ZINC000411428785 823573163 /nfs/dbraw/zinc/57/31/63/823573163.db2.gz PHXJLGGTDIZPFZ-KRWDZBQOSA-N 1 0 376.298 4.256 20 0 GIADRO O[C@H]1CC[N@H+](Cc2cccc(N[C@@H]3CCc4c3cccc4Br)c2)C1 ZINC000461085521 823573494 /nfs/dbraw/zinc/57/34/94/823573494.db2.gz KCDMKMRFJZNGLQ-OXJNMPFZSA-N 1 0 387.321 4.115 20 0 GIADRO COc1ccccc1NC(=O)c1ccc(NC(=O)CC[NH+](C(C)C)C(C)C)cc1 ZINC000411432473 823573584 /nfs/dbraw/zinc/57/35/84/823573584.db2.gz RTVALDQTCXKSII-UHFFFAOYSA-N 1 0 397.519 4.395 20 0 GIADRO Cc1ccc([C@@H](C)NC(=O)NCC2CC[NH+](Cc3cccs3)CC2)s1 ZINC000061021852 823573701 /nfs/dbraw/zinc/57/37/01/823573701.db2.gz WLYOBNPJOWVWFD-OAHLLOKOSA-N 1 0 377.579 4.390 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(Cl)c(N)c(Cl)c1 ZINC000124170482 823574350 /nfs/dbraw/zinc/57/43/50/823574350.db2.gz NIWIPGWIDTUTAR-OAHLLOKOSA-N 1 0 392.330 4.170 20 0 GIADRO CCCOc1ccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1OC ZINC000124175417 823574694 /nfs/dbraw/zinc/57/46/94/823574694.db2.gz CROSBSHCNURSHP-LJQANCHMSA-N 1 0 398.551 4.182 20 0 GIADRO Cc1nc2cc(F)ccc2cc1C(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000124175382 823574718 /nfs/dbraw/zinc/57/47/18/823574718.db2.gz ZAFLPELQDCOKNO-UHFFFAOYSA-N 1 0 381.451 4.012 20 0 GIADRO CCCOc1ccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1OC ZINC000124175148 823574725 /nfs/dbraw/zinc/57/47/25/823574725.db2.gz CROSBSHCNURSHP-IBGZPJMESA-N 1 0 398.551 4.182 20 0 GIADRO COc1ccc(C[NH2+][C@H](C)c2ccc(Br)cc2OC)cc1OC ZINC000190442428 823574710 /nfs/dbraw/zinc/57/47/10/823574710.db2.gz VUFZMXGSUINGMT-GFCCVEGCSA-N 1 0 380.282 4.326 20 0 GIADRO Cc1ncsc1CCC(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000411444427 823574745 /nfs/dbraw/zinc/57/47/45/823574745.db2.gz ZZVJQDIDMRGVLS-CALCHBBNSA-N 1 0 385.577 4.178 20 0 GIADRO COc1cc([C@@H](C)[NH2+]CCc2nc3ccccc3c(=O)[nH]2)ccc1OCC(C)C ZINC000411443953 823574763 /nfs/dbraw/zinc/57/47/63/823574763.db2.gz DDGIXFZZIPADFQ-MRXNPFEDSA-N 1 0 395.503 4.272 20 0 GIADRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)NCC1(c2ccccc2)CCC1 ZINC000061036745 823574813 /nfs/dbraw/zinc/57/48/13/823574813.db2.gz ODMPQMZQMBBWAP-UHFFFAOYSA-N 1 0 397.588 4.381 20 0 GIADRO COCCOc1ccc(C[NH2+][C@@H](C)c2ccc(Br)cc2OC)cc1 ZINC000190444968 823575131 /nfs/dbraw/zinc/57/51/31/823575131.db2.gz MBSILCPQAPVDDM-AWEZNQCLSA-N 1 0 394.309 4.334 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2ccccc2SC)cc1OC ZINC000411447788 823575350 /nfs/dbraw/zinc/57/53/50/823575350.db2.gz JXTJQIXHRXGVES-OAHLLOKOSA-N 1 0 388.533 4.495 20 0 GIADRO CCCNC(=O)CCC[NH2+][C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000411448120 823575567 /nfs/dbraw/zinc/57/55/67/823575567.db2.gz DTOCARZWGWNCRP-MRXNPFEDSA-N 1 0 385.483 4.035 20 0 GIADRO CC[NH2+]Cc1ccccc1NC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000124187176 823575852 /nfs/dbraw/zinc/57/58/52/823575852.db2.gz XSBLEILVCIAQBL-UHFFFAOYSA-N 1 0 398.894 4.461 20 0 GIADRO COC(=O)c1ccc(C[NH2+][C@H](c2ccc(Br)cc2)C2CCC2)nc1 ZINC000411452587 823576207 /nfs/dbraw/zinc/57/62/07/823576207.db2.gz IVJXXLMKUPNNTG-SFHVURJKSA-N 1 0 389.293 4.262 20 0 GIADRO CCCOc1ccc([C@H](C)[NH2+]CCc2nc3ccccc3c(=O)[nH]2)cc1OC ZINC000411455025 823576615 /nfs/dbraw/zinc/57/66/15/823576615.db2.gz SNULRGHQJDLHJZ-HNNXBMFYSA-N 1 0 381.476 4.026 20 0 GIADRO CCCOc1ccc([C@@H](C)[NH2+]CCc2nc3ccccc3c(=O)[nH]2)cc1OC ZINC000411455027 823576627 /nfs/dbraw/zinc/57/66/27/823576627.db2.gz SNULRGHQJDLHJZ-OAHLLOKOSA-N 1 0 381.476 4.026 20 0 GIADRO O=C(CC[NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1)Nc1ccc(Cl)cc1F ZINC000411459677 823577238 /nfs/dbraw/zinc/57/72/38/823577238.db2.gz KTQLLIJRVNJRAZ-QRWLVFNGSA-N 1 0 376.859 4.175 20 0 GIADRO O=C(CC[NH2+][C@H](c1ccccc1)[C@@H]1CCOC1)Nc1ccc(Cl)cc1F ZINC000411459673 823577244 /nfs/dbraw/zinc/57/72/44/823577244.db2.gz KTQLLIJRVNJRAZ-FOIQADDNSA-N 1 0 376.859 4.175 20 0 GIADRO O=C(CC[NH2+][C@H](CC(F)(F)F)c1ccccc1)Nc1ccc2c(c1)OCO2 ZINC000411463334 823577512 /nfs/dbraw/zinc/57/75/12/823577512.db2.gz WAIDQXZBWBMGNL-OAHLLOKOSA-N 1 0 380.366 4.027 20 0 GIADRO COCCSc1ccc([C@H](C)[NH2+]CC(=O)N2CCC[C@H]3CCCC[C@@H]32)cc1 ZINC000411464002 823577776 /nfs/dbraw/zinc/57/77/76/823577776.db2.gz MGBQLEUAIWEFFC-DSKINZAPSA-N 1 0 390.593 4.257 20 0 GIADRO CSc1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2cccc(N3CCCC3)c2)cc1 ZINC000411472347 823578777 /nfs/dbraw/zinc/57/87/77/823578777.db2.gz HJUZCGWKYUIVPL-FXAWDEMLSA-N 1 0 386.561 4.099 20 0 GIADRO O[C@@H](C[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1)c1c(Cl)cccc1Cl ZINC000124225192 823578817 /nfs/dbraw/zinc/57/88/17/823578817.db2.gz MWVFDNMGKFZNTN-INIZCTEOSA-N 1 0 380.250 4.346 20 0 GIADRO CC[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cc1F)c1ccc(OC)cc1 ZINC000124224567 823578871 /nfs/dbraw/zinc/57/88/71/823578871.db2.gz OYUDAZDSOIUKFZ-MRXNPFEDSA-N 1 0 395.272 4.276 20 0 GIADRO CC(C)Cn1ncc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1C(F)F ZINC000124229144 823579305 /nfs/dbraw/zinc/57/93/05/823579305.db2.gz AVWABHJWCLRSJP-UHFFFAOYSA-N 1 0 390.478 4.003 20 0 GIADRO COC[C@@H]([NH2+]CCC(=O)Nc1ccc(Cl)cc1F)c1ccc(F)c(F)c1 ZINC000411476919 823579311 /nfs/dbraw/zinc/57/93/11/823579311.db2.gz PIXHJZHBKTVNBF-QGZVFWFLSA-N 1 0 386.801 4.063 20 0 GIADRO CC[C@H](C(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(F)cc1 ZINC000461110084 823579368 /nfs/dbraw/zinc/57/93/68/823579368.db2.gz JHXZDUPAFCOAMF-QHCPKHFHSA-N 1 0 398.522 4.153 20 0 GIADRO O=C(CC[NH2+][C@@H](CCCO)c1ccccc1)Nc1cccc(C(F)(F)F)c1 ZINC000411477691 823579429 /nfs/dbraw/zinc/57/94/29/823579429.db2.gz XCYDUZQZKQZWBS-SFHVURJKSA-N 1 0 380.410 4.137 20 0 GIADRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CCc3c(C)nn(C)c3C)s2)cc1 ZINC000124241625 823580376 /nfs/dbraw/zinc/58/03/76/823580376.db2.gz ZUMWLWBOGLNROG-CQSZACIVSA-N 1 0 384.549 4.371 20 0 GIADRO COc1cc(NC(=O)CC[NH2+][C@@H](c2ccccc2C)C2CC2)cc(OC)c1OC ZINC000411485687 823580480 /nfs/dbraw/zinc/58/04/80/823580480.db2.gz GRHKFYKSXVJOOB-JOCHJYFZSA-N 1 0 398.503 4.090 20 0 GIADRO C[C@H]([NH2+]CCC(=O)Nc1c(Cl)cccc1Cl)c1ccc([S@@](C)=O)cc1 ZINC000411486885 823580483 /nfs/dbraw/zinc/58/04/83/823580483.db2.gz USNZZEGCKOTYPS-UOXLDJKESA-N 1 0 399.343 4.410 20 0 GIADRO C[C@@H]([NH2+]CCC(=O)Nc1c(Cl)cccc1Cl)c1ccc([S@@](C)=O)cc1 ZINC000411486887 823580627 /nfs/dbraw/zinc/58/06/27/823580627.db2.gz USNZZEGCKOTYPS-XELLLNAOSA-N 1 0 399.343 4.410 20 0 GIADRO COc1cc(NC(=O)CC[NH2+][C@H](C)[C@@H](C)c2ccccc2)c(OC)cc1Cl ZINC000411493825 823581054 /nfs/dbraw/zinc/58/10/54/823581054.db2.gz SRTPHPCPTYCQPM-HUUCEWRRSA-N 1 0 390.911 4.468 20 0 GIADRO CCC(CC)c1cc(CNC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)on1 ZINC000461120677 823581263 /nfs/dbraw/zinc/58/12/63/823581263.db2.gz CDNFFHNVEQONOF-SFHVURJKSA-N 1 0 387.499 4.246 20 0 GIADRO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000411498749 823581746 /nfs/dbraw/zinc/58/17/46/823581746.db2.gz BQLJNEFUQNSHGR-IMJJTQAJSA-N 1 0 382.451 4.340 20 0 GIADRO CC(C)[NH+]1CCN(c2ccc(C(=O)Nc3cccc(N4CCCC4)c3)cc2)CC1 ZINC000061165413 823581759 /nfs/dbraw/zinc/58/17/59/823581759.db2.gz SJBJVJHDOCLQBI-UHFFFAOYSA-N 1 0 392.547 4.070 20 0 GIADRO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CCC[C@@H]1c1cccc(Cl)c1 ZINC000411501950 823581914 /nfs/dbraw/zinc/58/19/14/823581914.db2.gz VPQPSOMORDLLDS-RTBURBONSA-N 1 0 378.969 4.221 20 0 GIADRO Cc1cc(O)c(C(C)C)cc1NC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000124268625 823582560 /nfs/dbraw/zinc/58/25/60/823582560.db2.gz UMVORTJNYHKSMV-UHFFFAOYSA-N 1 0 396.531 4.281 20 0 GIADRO CCC[C@@H]([NH2+]CCc1nc(-c2ccc(Cl)cc2)no1)c1nnc2ccccn21 ZINC000411512004 823582862 /nfs/dbraw/zinc/58/28/62/823582862.db2.gz KUQWASPILLNQKD-MRXNPFEDSA-N 1 0 396.882 4.106 20 0 GIADRO CC[C@H]([NH2+]CCC(=O)Nc1ccc(Br)cc1F)c1nccs1 ZINC000411512740 823582866 /nfs/dbraw/zinc/58/28/66/823582866.db2.gz BQOYEBWSIADIOV-LBPRGKRZSA-N 1 0 386.290 4.114 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1ccnn1C(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC000190518132 823583049 /nfs/dbraw/zinc/58/30/49/823583049.db2.gz XHCTWIXWIAHOIC-OAHLLOKOSA-N 1 0 397.445 4.081 20 0 GIADRO COC[C@H]([NH2+]CCC(=O)N[C@@H](c1cccs1)c1ccccc1)c1ccc(C)o1 ZINC000411515746 823583267 /nfs/dbraw/zinc/58/32/67/823583267.db2.gz WFHJOICJLZGCCX-PGRDOPGGSA-N 1 0 398.528 4.223 20 0 GIADRO CC[NH+](CC)CCOc1cc(NC(=O)c2ccc3cc[nH]c3c2)ccc1OC ZINC000124284018 823583786 /nfs/dbraw/zinc/58/37/86/823583786.db2.gz LXMLIYRIUZEUFG-UHFFFAOYSA-N 1 0 381.476 4.149 20 0 GIADRO CC[C@@H]([NH2+]CCC(=O)NC(c1ccccc1)c1ccccc1)c1nccs1 ZINC000411521189 823584176 /nfs/dbraw/zinc/58/41/76/823584176.db2.gz YEZDYOWSIMAIAJ-LJQANCHMSA-N 1 0 379.529 4.480 20 0 GIADRO Cc1cccc(C)c1NC(=O)CCC[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000190542206 823584660 /nfs/dbraw/zinc/58/46/60/823584660.db2.gz JJMMAUSGAFKQAY-UHFFFAOYSA-N 1 0 385.483 4.100 20 0 GIADRO CCCOc1ccc(NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)cc1Cl ZINC000411530846 823585044 /nfs/dbraw/zinc/58/50/44/823585044.db2.gz JOARJNSJYPZNPB-INIZCTEOSA-N 1 0 382.957 4.285 20 0 GIADRO CSc1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2nc(C(C)(C)C)cs2)cc1 ZINC000411539491 823586473 /nfs/dbraw/zinc/58/64/73/823586473.db2.gz XWYMKSRGUNLQHL-UONOGXRCSA-N 1 0 380.579 4.253 20 0 GIADRO Cc1cnc([C@@H](C)[NH2+]CCC(=O)NC(c2ccccc2)c2ccccc2)s1 ZINC000411537238 823586052 /nfs/dbraw/zinc/58/60/52/823586052.db2.gz IKZJXYYAONIXNL-QGZVFWFLSA-N 1 0 379.529 4.398 20 0 GIADRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1C(F)(F)F)[C@@H]1COc2ccccc21 ZINC000411538973 823586297 /nfs/dbraw/zinc/58/62/97/823586297.db2.gz VAVPMDNXAUQXFL-HIFRSBDPSA-N 1 0 378.394 4.188 20 0 GIADRO C[C@@H](c1nccs1)N1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411549761 823587565 /nfs/dbraw/zinc/58/75/65/823587565.db2.gz HTHAASNSMLQNIM-IBGZPJMESA-N 1 0 384.593 4.008 20 0 GIADRO C[C@@H](N[C@H](C)c1cccc(OCC[NH+](C)C)c1)c1noc(-c2ccccc2)n1 ZINC000124328861 823587675 /nfs/dbraw/zinc/58/76/75/823587675.db2.gz QTTHRDVQIPGQQF-IAGOWNOFSA-N 1 0 380.492 4.089 20 0 GIADRO O=C(CC[NH2+][C@H]1CCCC[C@@H]1n1cccn1)Nc1cc(Cl)ccc1Cl ZINC000411558615 823587984 /nfs/dbraw/zinc/58/79/84/823587984.db2.gz LZEFPKURHHQSRT-RDJZCZTQSA-N 1 0 381.307 4.292 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[NH2+][C@@H]1CCCO[C@@H]1CC(C)C ZINC000411560703 823588182 /nfs/dbraw/zinc/58/81/82/823588182.db2.gz PMXNDDBYWMLXHR-NHCUHLMSSA-N 1 0 398.551 4.001 20 0 GIADRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000411561693 823588184 /nfs/dbraw/zinc/58/81/84/823588184.db2.gz RAOAATVRTGIVLF-HOCLYGCPSA-N 1 0 387.505 4.340 20 0 GIADRO CC(C)(CNC(=O)N1CCC([NH+]2CCCC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000190581202 823588232 /nfs/dbraw/zinc/58/82/32/823588232.db2.gz TXYYYAPXDNHASN-UHFFFAOYSA-N 1 0 397.485 4.253 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)COc1ccc(Cl)cc1Cl)c1ccco1 ZINC000061264538 823588495 /nfs/dbraw/zinc/58/84/95/823588495.db2.gz CRXXYSFVSCRIRD-OAHLLOKOSA-N 1 0 385.291 4.165 20 0 GIADRO Cc1ccc(CN(Cc2ccco2)C(=O)NC[C@H](C)C[NH+]2CCCC2)s1 ZINC000124340774 823588576 /nfs/dbraw/zinc/58/85/76/823588576.db2.gz GDGXCZHATXBSIK-INIZCTEOSA-N 1 0 375.538 4.093 20 0 GIADRO Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000124341976 823588747 /nfs/dbraw/zinc/58/87/47/823588747.db2.gz UMYIROVRDNFGFQ-CQSZACIVSA-N 1 0 375.900 4.154 20 0 GIADRO Cc1ccc(Cl)c(NC(=O)C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)c1C ZINC000411578337 823589006 /nfs/dbraw/zinc/58/90/06/823589006.db2.gz AMVYMHYITFRETK-GOSISDBHSA-N 1 0 385.895 4.083 20 0 GIADRO CC1CC[NH+](CCCCNC(=O)c2ccc(Cl)cc2Br)CC1 ZINC000124357025 823589755 /nfs/dbraw/zinc/58/97/55/823589755.db2.gz NFKDOLCLLZIUOU-UHFFFAOYSA-N 1 0 387.749 4.344 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCSCC2)c1)c1cc2ccccc2cc1O ZINC000061286908 823589803 /nfs/dbraw/zinc/58/98/03/823589803.db2.gz QSHICBPELZDUHY-UHFFFAOYSA-N 1 0 378.497 4.347 20 0 GIADRO CCCc1nc(C)c(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)s1 ZINC000061287825 823590021 /nfs/dbraw/zinc/59/00/21/823590021.db2.gz PLXHCWOSTOHUOM-UHFFFAOYSA-N 1 0 389.590 4.248 20 0 GIADRO CN(CCCc1nc2ccccc2[nH]1)C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000411613135 823590826 /nfs/dbraw/zinc/59/08/26/823590826.db2.gz BDSMTMHBYQTBMI-UHFFFAOYSA-N 1 0 390.531 4.254 20 0 GIADRO CC(=O)Nc1cccc(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)c1C ZINC000190607965 823591000 /nfs/dbraw/zinc/59/10/00/823591000.db2.gz FTOLWYHCNRJGMX-QGZVFWFLSA-N 1 0 393.531 4.258 20 0 GIADRO CCc1ccccc1OCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1C ZINC000061308686 823591027 /nfs/dbraw/zinc/59/10/27/823591027.db2.gz JVHACSLPIXMUDP-UHFFFAOYSA-N 1 0 384.545 4.124 20 0 GIADRO CC(C)[C@H](CC(F)(F)F)[NH2+]CCC(=O)Nc1ccccc1Br ZINC000411615779 823591095 /nfs/dbraw/zinc/59/10/95/823591095.db2.gz SCXIOIGJTZFPQH-ZDUSSCGKSA-N 1 0 381.236 4.344 20 0 GIADRO Brc1ccc([C@@H]([NH2+]CCCOCC2CCOCC2)C2CC2)s1 ZINC000190609507 823591177 /nfs/dbraw/zinc/59/11/77/823591177.db2.gz RWOBBJWDVACFKW-KRWDZBQOSA-N 1 0 388.371 4.385 20 0 GIADRO Cc1nc(-c2ccccc2)sc1CNC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000124376610 823591657 /nfs/dbraw/zinc/59/16/57/823591657.db2.gz AASOPBMTEVEOEI-UHFFFAOYSA-N 1 0 386.565 4.134 20 0 GIADRO CCCOC(=O)c1ccc(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000061331865 823591731 /nfs/dbraw/zinc/59/17/31/823591731.db2.gz OZGJEGKGKRCFMF-UHFFFAOYSA-N 1 0 395.503 4.040 20 0 GIADRO COC(=O)c1ccc(C[NH2+][C@](C)(c2ccc(Br)cc2)C(C)C)nc1 ZINC000411623323 823591824 /nfs/dbraw/zinc/59/18/24/823591824.db2.gz RHBRQRQTCCRQLX-IBGZPJMESA-N 1 0 391.309 4.292 20 0 GIADRO COCC[N@H+](Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1)[C@@H]1CCC[C@H]1C ZINC000411625278 823592135 /nfs/dbraw/zinc/59/21/35/823592135.db2.gz LCXCYKMKSXXJOV-UKRRQHHQSA-N 1 0 387.505 4.294 20 0 GIADRO COc1cc(NC(=O)CC[NH2+][C@H](C)c2cccc(Cl)c2)cc(OC)c1OC ZINC000411628649 823592443 /nfs/dbraw/zinc/59/24/43/823592443.db2.gz WWMSVZBIZUEZLQ-CYBMUJFWSA-N 1 0 392.883 4.045 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N(C)Cc1ccco1)c1cccc(OCc2ccccc2)c1 ZINC000411635471 823592830 /nfs/dbraw/zinc/59/28/30/823592830.db2.gz NKNNIGUGOUOUSH-GOSISDBHSA-N 1 0 378.472 4.168 20 0 GIADRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1sc(-c2ccc(C(F)(F)F)cc2)nc1C ZINC000411635303 823592855 /nfs/dbraw/zinc/59/28/55/823592855.db2.gz ARCLFWFNRRDXTH-LSDHHAIUSA-N 1 0 397.466 4.142 20 0 GIADRO COc1ccc(C2([NH2+]CCOc3cccc(Cl)c3)CCOCC2)cc1F ZINC000411634746 823592872 /nfs/dbraw/zinc/59/28/72/823592872.db2.gz CNJXGRYFWUBNRE-UHFFFAOYSA-N 1 0 379.859 4.162 20 0 GIADRO O=C(CC[NH2+][C@@H]1CCO[C@H]1c1ccccc1)Nc1c(Cl)cccc1Cl ZINC000411639447 823592966 /nfs/dbraw/zinc/59/29/66/823592966.db2.gz FLERZCSJUWDACK-APWZRJJASA-N 1 0 379.287 4.442 20 0 GIADRO C[C@@H]1CC[C@@H]([N@H+](CCO)Cc2nc(=O)c3cc(-c4ccccc4)sc3[nH]2)C1 ZINC000411639409 823593063 /nfs/dbraw/zinc/59/30/63/823593063.db2.gz FITYGBUGNVDBNG-GDBMZVCRSA-N 1 0 383.517 4.047 20 0 GIADRO O=C(CC[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)Nc1ccccc1F ZINC000411643474 823593282 /nfs/dbraw/zinc/59/32/82/823593282.db2.gz JEOWIDRDVNEWKP-MJGOQNOKSA-N 1 0 380.822 4.067 20 0 GIADRO Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+]CCC(=O)Nc1ccc2c(c1)OCO2 ZINC000411648733 823593816 /nfs/dbraw/zinc/59/38/16/823593816.db2.gz SVYGQQQDXATOLP-MRXNPFEDSA-N 1 0 394.393 4.336 20 0 GIADRO Cc1c(F)cccc1NC(=O)CC[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000411648968 823593894 /nfs/dbraw/zinc/59/38/94/823593894.db2.gz PNUZJRZNPPHFHO-ICSRJNTNSA-N 1 0 394.849 4.375 20 0 GIADRO CSC1(C[NH2+][C@H](c2ccc(Br)s2)C2CC2)CCOCC1 ZINC000190638362 823594088 /nfs/dbraw/zinc/59/40/88/823594088.db2.gz GPOFQIKXJXNISE-AWEZNQCLSA-N 1 0 376.385 4.464 20 0 GIADRO O=C(CC[NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)Nc1ccc(Cl)cc1 ZINC000411650539 823594232 /nfs/dbraw/zinc/59/42/32/823594232.db2.gz QXGYMQJWGSWDHJ-IEBWSBKVSA-N 1 0 380.822 4.067 20 0 GIADRO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)cc2)c1C ZINC000411652978 823594608 /nfs/dbraw/zinc/59/46/08/823594608.db2.gz VDDXPVKTSDBWJJ-GTXQTCRKSA-N 1 0 388.895 4.179 20 0 GIADRO O=C(Nc1ccc(N2CCCCC2)nc1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000061397018 823595189 /nfs/dbraw/zinc/59/51/89/823595189.db2.gz ZDEWGVQAERFMLD-UHFFFAOYSA-N 1 0 399.583 4.192 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N(Cc1ccc(F)cc1)C1CC1 ZINC000124418675 823595213 /nfs/dbraw/zinc/59/52/13/823595213.db2.gz XDWSNKFFFYHCOU-UHFFFAOYSA-N 1 0 396.510 4.082 20 0 GIADRO C[C@H](CO)[N@@H+](Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1)CC1CCC1 ZINC000411661734 823595515 /nfs/dbraw/zinc/59/55/15/823595515.db2.gz DVSLMHCDHBBJNR-CQSZACIVSA-N 1 0 383.517 4.047 20 0 GIADRO CSc1ccccc1NC(=O)CC[NH2+][C@@H](C)c1ccc(Br)cn1 ZINC000411662647 823595589 /nfs/dbraw/zinc/59/55/89/823595589.db2.gz GFNHYBBFAHWXFF-LBPRGKRZSA-N 1 0 394.338 4.245 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)c1csc([C@H]2CCCO2)n1 ZINC000124432652 823596312 /nfs/dbraw/zinc/59/63/12/823596312.db2.gz UTQWKZDJZMOFGT-HXUWFJFHSA-N 1 0 399.560 4.301 20 0 GIADRO COC(=O)c1cc(NC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)ccc1Cl ZINC000061422813 823596342 /nfs/dbraw/zinc/59/63/42/823596342.db2.gz LBMVGGAOECMENQ-GASCZTMLSA-N 1 0 395.931 4.006 20 0 GIADRO CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000411681315 823596635 /nfs/dbraw/zinc/59/66/35/823596635.db2.gz YVLIJTBMMXEHNU-QZTJIDSGSA-N 1 0 377.916 4.452 20 0 GIADRO CCN1CC[C@@H]([NH2+]Cc2cc(-c3ccco3)on2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000411690369 823597265 /nfs/dbraw/zinc/59/72/65/823597265.db2.gz HLEDXJIMHGVPQS-UZLBHIALSA-N 1 0 391.393 4.277 20 0 GIADRO CCOc1cc(C[NH2+][C@H](CCO)c2ccccc2)cc(Br)c1OC ZINC000124444243 823597343 /nfs/dbraw/zinc/59/73/43/823597343.db2.gz IYUOEJLTQNGVJG-QGZVFWFLSA-N 1 0 394.309 4.070 20 0 GIADRO O=C(CC[NH2+][C@@]1(Cc2ccc(Cl)cc2)CCOC1)Nc1ccccc1Cl ZINC000411694780 823597699 /nfs/dbraw/zinc/59/76/99/823597699.db2.gz RTHGSYLOARRUBG-HXUWFJFHSA-N 1 0 393.314 4.313 20 0 GIADRO CCCC(=O)NC[C@@H]1CCCN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)C1 ZINC000124448622 823597740 /nfs/dbraw/zinc/59/77/40/823597740.db2.gz LAJPHANAXHWJCR-AWEZNQCLSA-N 1 0 379.426 4.386 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCc1ccc(N(C)C)cc1 ZINC000061441508 823597915 /nfs/dbraw/zinc/59/79/15/823597915.db2.gz AVRPLQIUAIFUEU-LJQANCHMSA-N 1 0 394.563 4.126 20 0 GIADRO CN1CC[C@@H]([NH2+]Cc2ccc(-c3ncco3)cc2F)[C@H]1c1ccc(F)c(F)c1 ZINC000411702163 823598116 /nfs/dbraw/zinc/59/81/16/823598116.db2.gz YXRAKXVZOCEDOE-WOJBJXKFSA-N 1 0 387.405 4.294 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)Nc2cc(F)cc(F)c2Br)c1 ZINC000190685831 823598458 /nfs/dbraw/zinc/59/84/58/823598458.db2.gz XZJNYZWHQFLVGE-UHFFFAOYSA-N 1 0 398.251 4.111 20 0 GIADRO COc1cccc(NC(=O)CC[NH2+][C@@H](CCO)c2ccc(Cl)c(Cl)c2)c1 ZINC000411717650 823599526 /nfs/dbraw/zinc/59/95/26/823599526.db2.gz JBDJCMJMBIOPMU-SFHVURJKSA-N 1 0 397.302 4.044 20 0 GIADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)C12CCCC2 ZINC000411718015 823599571 /nfs/dbraw/zinc/59/95/71/823599571.db2.gz ITTAGQKRMONIMP-HZPDHXFCSA-N 1 0 399.516 4.484 20 0 GIADRO O=C(CC[NH2+][C@@H]1CCC[C@H]1OC(F)F)N[C@@H](c1cccs1)c1ccccc1 ZINC000411723792 823600177 /nfs/dbraw/zinc/60/01/77/823600177.db2.gz TUKZEJRBGRMARZ-GPMSIDNRSA-N 1 0 394.487 4.094 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)c1coc(Br)c1 ZINC000061503637 823600242 /nfs/dbraw/zinc/60/02/42/823600242.db2.gz AVDSKEHFNHRETC-UHFFFAOYSA-N 1 0 391.309 4.348 20 0 GIADRO FC(F)(F)c1ccc(C[C@@]2([NH2+]Cc3cc(-c4ccco4)on3)CCOC2)cc1 ZINC000411729081 823600616 /nfs/dbraw/zinc/60/06/16/823600616.db2.gz VTAOKZQSSUNMOB-IBGZPJMESA-N 1 0 392.377 4.445 20 0 GIADRO Cc1ccc(NC(=O)CNC(=O)c2cccc(C[NH+]3CCCCC3)c2)c(Cl)c1 ZINC000411731317 823600811 /nfs/dbraw/zinc/60/08/11/823600811.db2.gz KQJFJCFPIYQOOS-UHFFFAOYSA-N 1 0 399.922 4.003 20 0 GIADRO Brc1ccc(C[NH2+]Cc2ccc3c(c2)OCO3)cc1Br ZINC000124488865 823600915 /nfs/dbraw/zinc/60/09/15/823600915.db2.gz GJKNTAYZRDUSNB-UHFFFAOYSA-N 1 0 399.082 4.230 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCCc2cccc(F)c2)C1 ZINC000061522659 823601172 /nfs/dbraw/zinc/60/11/72/823601172.db2.gz YUYAQRHQSZTWSZ-GOSISDBHSA-N 1 0 383.511 4.100 20 0 GIADRO CC(C)(CO)[C@@H]([NH2+]CCc1nc(-c2cccc(Cl)c2)no1)c1cccs1 ZINC000411737805 823601187 /nfs/dbraw/zinc/60/11/87/823601187.db2.gz QYHBDKNYUSOBLF-KRWDZBQOSA-N 1 0 391.924 4.343 20 0 GIADRO CCOc1ccc(NC(=O)CC[NH2+][C@@H]2c3ccccc3CC23CCOCC3)cc1 ZINC000411740487 823601190 /nfs/dbraw/zinc/60/11/90/823601190.db2.gz BAJUVYWEFYDBEA-HSZRJFAPSA-N 1 0 394.515 4.098 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCCc1cccc(F)c1 ZINC000061522657 823601220 /nfs/dbraw/zinc/60/12/20/823601220.db2.gz ATXITUXUJPYIIO-GOSISDBHSA-N 1 0 383.511 4.242 20 0 GIADRO CCOc1ccccc1NC(=O)CC[NH2+][C@H](C)c1ccc(OC)c(OC)c1C ZINC000411742047 823601348 /nfs/dbraw/zinc/60/13/48/823601348.db2.gz QLOJSUZDRNXTSK-MRXNPFEDSA-N 1 0 386.492 4.090 20 0 GIADRO CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000411743746 823601729 /nfs/dbraw/zinc/60/17/29/823601729.db2.gz FZCCZERIAZBAMA-YPAWHYETSA-N 1 0 386.605 4.389 20 0 GIADRO O=C(Nc1ccc(Cl)cc1-c1ccccc1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000190724454 823602295 /nfs/dbraw/zinc/60/22/95/823602295.db2.gz LOVJVRSOCJIVBU-KRWDZBQOSA-N 1 0 399.922 4.193 20 0 GIADRO COC(=O)c1ccc(C[NH2+][C@@H]2c3cc(Br)ccc3CC2(C)C)nc1 ZINC000411755399 823602648 /nfs/dbraw/zinc/60/26/48/823602648.db2.gz IJCYAIRNTNICSR-QGZVFWFLSA-N 1 0 389.293 4.044 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000461240125 823602726 /nfs/dbraw/zinc/60/27/26/823602726.db2.gz JPWRTQLCFTTYLJ-UHFFFAOYSA-N 1 0 391.968 4.244 20 0 GIADRO O=C(NC1(c2ccc(Cl)cc2)CCC1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000411758834 823602963 /nfs/dbraw/zinc/60/29/63/823602963.db2.gz OSLHQCXZTHIKMT-SFHVURJKSA-N 1 0 378.969 4.053 20 0 GIADRO COc1cc(NC(=O)CC[NH2+][C@@H](C)c2cccc(C3CC3)c2)cc(OC)c1OC ZINC000411766361 823603459 /nfs/dbraw/zinc/60/34/59/823603459.db2.gz BPPWFBZHNKZULQ-HNNXBMFYSA-N 1 0 398.503 4.269 20 0 GIADRO Cc1nn(Cc2ccccc2Cl)c(C)c1CNCCC[NH+]1CCC(C)CC1 ZINC000061558284 823603804 /nfs/dbraw/zinc/60/38/04/823603804.db2.gz FAZTUAZHTIZVDQ-UHFFFAOYSA-N 1 0 388.987 4.413 20 0 GIADRO Cc1cccc(C)c1OCCC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000061568038 823604312 /nfs/dbraw/zinc/60/43/12/823604312.db2.gz CFQNFLGXANXRBW-UHFFFAOYSA-N 1 0 386.561 4.162 20 0 GIADRO Cc1ccccc1OCCCC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000061568268 823604483 /nfs/dbraw/zinc/60/44/83/823604483.db2.gz KROLUXDOAOAKMS-UHFFFAOYSA-N 1 0 386.561 4.244 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(-c2nccs2)cc1)Cc1ccccc1 ZINC000124538874 823604732 /nfs/dbraw/zinc/60/47/32/823604732.db2.gz IKOTYHYLUMVYOH-LJQANCHMSA-N 1 0 380.517 4.105 20 0 GIADRO CC(C)n1c2ccc(C(=O)N(C)[C@H]3CC[N@H+](C)[C@H](C)C3)cc2nc1C(F)(F)F ZINC000124545024 823605055 /nfs/dbraw/zinc/60/50/55/823605055.db2.gz JUWATRUHUAKCKB-HIFRSBDPSA-N 1 0 396.457 4.191 20 0 GIADRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@@H]1C[C@@]1(F)c1ccccc1 ZINC000411790840 823605228 /nfs/dbraw/zinc/60/52/28/823605228.db2.gz KGHNNRLGMLDKHW-SIKLNZKXSA-N 1 0 384.520 4.367 20 0 GIADRO CN(C(=O)c1cc2ccccc2s1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000124550205 823605732 /nfs/dbraw/zinc/60/57/32/823605732.db2.gz IWIXGFYFKDAZPI-PMACEKPBSA-N 1 0 399.604 4.311 20 0 GIADRO CC(C)[C@H](CO)[C@@H]([NH2+]Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(C)C ZINC000411799003 823605961 /nfs/dbraw/zinc/60/59/61/823605961.db2.gz YAGORHMFXIWBKB-JXFKEZNVSA-N 1 0 399.560 4.443 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)c(CC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)s1 ZINC000461260015 823606883 /nfs/dbraw/zinc/60/68/83/823606883.db2.gz GGXJMORVWFZGBI-IBGZPJMESA-N 1 0 385.577 4.302 20 0 GIADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cccc(-c2noc(CC(C)(C)C)n2)c1 ZINC000461260992 823607258 /nfs/dbraw/zinc/60/72/58/823607258.db2.gz WATCEGVAXABAKO-LJQANCHMSA-N 1 0 398.551 4.272 20 0 GIADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cnc2ccccc2c1C(F)(F)F ZINC000461267312 823609011 /nfs/dbraw/zinc/60/90/11/823609011.db2.gz ZOENNTOQGQJSEK-AWEZNQCLSA-N 1 0 379.426 4.200 20 0 GIADRO CSCCC[N@@H+]1CCC[C@H]1c1nc(-c2ccccc2Br)no1 ZINC000190789685 823609420 /nfs/dbraw/zinc/60/94/20/823609420.db2.gz RRXHBJJJDXSJCS-AWEZNQCLSA-N 1 0 382.327 4.389 20 0 GIADRO CCc1c(NC(=O)Nc2ccc(OCCC[NH+](C)C)cc2)cnn1CC(C)C ZINC000124595438 823609626 /nfs/dbraw/zinc/60/96/26/823609626.db2.gz REWQUUAHXIDVQL-UHFFFAOYSA-N 1 0 387.528 4.076 20 0 GIADRO CCS(=O)(=O)CCCCC[NH2+]C1(c2ccc(Br)cc2)CCC1 ZINC000190795740 823609909 /nfs/dbraw/zinc/60/99/09/823609909.db2.gz GMYURNGMKKSRDS-UHFFFAOYSA-N 1 0 388.371 4.023 20 0 GIADRO Cc1nccn1-c1ccc(C[NH2+]Cc2cc(Br)c(Cl)s2)cn1 ZINC000190802329 823610689 /nfs/dbraw/zinc/61/06/89/823610689.db2.gz SOHWDKDOHOAGBL-UHFFFAOYSA-N 1 0 397.729 4.343 20 0 GIADRO CC[C@H]1CN(c2ccccc2)CCN1C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000461279268 823611146 /nfs/dbraw/zinc/61/11/46/823611146.db2.gz SZWKKPTXKZNNIY-QHCPKHFHSA-N 1 0 391.559 4.026 20 0 GIADRO Brc1ccccc1-c1nnc(C[N@@H+]2CCSC3(CCC3)CC2)o1 ZINC000411864962 823611334 /nfs/dbraw/zinc/61/13/34/823611334.db2.gz FQXMYZZCJJCSTM-UHFFFAOYSA-N 1 0 394.338 4.361 20 0 GIADRO Cc1nc2ccc(NC(=O)NCC3CC[NH+](Cc4cccs4)CC3)cc2o1 ZINC000061749404 823611572 /nfs/dbraw/zinc/61/15/72/823611572.db2.gz GSTBICHKSCRHHJ-UHFFFAOYSA-N 1 0 384.505 4.231 20 0 GIADRO Cc1ccc([C@H](CNC(=O)[C@H]2CC(C)(C)Oc3ccccc32)[NH+]2CCCC2)o1 ZINC000411879938 823612291 /nfs/dbraw/zinc/61/22/91/823612291.db2.gz UVJQUCVEKCZUGK-OALUTQOASA-N 1 0 382.504 4.186 20 0 GIADRO CC[C@H]([NH2+]CC(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F)c1ccccc1 ZINC000411884771 823612600 /nfs/dbraw/zinc/61/26/00/823612600.db2.gz GQCZMULVGXQJQG-KRWDZBQOSA-N 1 0 393.409 4.343 20 0 GIADRO CC(=O)Nc1cc(NC(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)ccc1C ZINC000061769433 823612907 /nfs/dbraw/zinc/61/29/07/823612907.db2.gz KNSTYZYDQXSVGV-QFIPXVFZSA-N 1 0 394.519 4.220 20 0 GIADRO Cc1ccc(C(=O)N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c2ccccc12 ZINC000411894185 823613682 /nfs/dbraw/zinc/61/36/82/823613682.db2.gz PSOQKFIRELLDSJ-OALUTQOASA-N 1 0 380.532 4.110 20 0 GIADRO CN1CCCc2cc(NC(=O)NCC3CC[NH+](Cc4cccs4)CC3)ccc21 ZINC000061785870 823613988 /nfs/dbraw/zinc/61/39/88/823613988.db2.gz AOAYPLKBRQMLRE-UHFFFAOYSA-N 1 0 398.576 4.164 20 0 GIADRO CN(c1ccc(NCc2c(O)ccc(Cl)c2F)cc1)C1CC[NH+](C)CC1 ZINC000190836251 823614466 /nfs/dbraw/zinc/61/44/66/823614466.db2.gz QIUHDGNWYFUCOG-UHFFFAOYSA-N 1 0 377.891 4.327 20 0 GIADRO C[NH+](C)CCN(Cc1cccs1)C(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000190837022 823614667 /nfs/dbraw/zinc/61/46/67/823614667.db2.gz XYKRXHFKNRAGNI-UHFFFAOYSA-N 1 0 387.336 4.233 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C[C@H](c1ccc(O)cc1)C1CC1 ZINC000411930392 823614804 /nfs/dbraw/zinc/61/48/04/823614804.db2.gz GMMWBKDQQHXWPB-QHCPKHFHSA-N 1 0 380.532 4.386 20 0 GIADRO c1csc(Cn2c(-c3ccoc3)nnc2N2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000461308178 823614907 /nfs/dbraw/zinc/61/49/07/823614907.db2.gz MHSPZQAFXJNKED-GOSISDBHSA-N 1 0 397.548 4.103 20 0 GIADRO O=C(c1cccc(C[NH+]2CCCCC2)c1)N1CCO[C@@H](c2ccccc2F)C1 ZINC000411933892 823614954 /nfs/dbraw/zinc/61/49/54/823614954.db2.gz DFDJFBCMHRJZGK-JOCHJYFZSA-N 1 0 382.479 4.025 20 0 GIADRO C[C@H]1CO[C@H](c2ccccc2)CN1C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000411944757 823615609 /nfs/dbraw/zinc/61/56/09/823615609.db2.gz KDDQAJPNPKEOMO-CVDCTZTESA-N 1 0 378.516 4.275 20 0 GIADRO CC(C)c1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CCN(C)CC2)cc1 ZINC000124669184 823615789 /nfs/dbraw/zinc/61/57/89/823615789.db2.gz BRWKZKRWWSFGJA-PKTZIBPZSA-N 1 0 385.596 4.219 20 0 GIADRO Cc1cc(C[N@@H+]2C[C@H](O)C[C@@H]2c2ccccc2)nc(-c2ccc(Cl)cc2)n1 ZINC000411946643 823615835 /nfs/dbraw/zinc/61/58/35/823615835.db2.gz OMXJELWZVGJWMB-NHCUHLMSSA-N 1 0 379.891 4.413 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)NCc2c(OC)ccc3ccccc32)c1 ZINC000061860082 823616449 /nfs/dbraw/zinc/61/64/49/823616449.db2.gz MXJJOEIQZRAGMF-UHFFFAOYSA-N 1 0 391.515 4.300 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)CCCCc2ccc(Br)cc2)CC[N@@H+]1C ZINC000124677890 823616509 /nfs/dbraw/zinc/61/65/09/823616509.db2.gz ULWHVMFVZTZPKK-CRAIPNDOSA-N 1 0 381.358 4.103 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)NCc2ccccc2COC(C)C)c1 ZINC000061865042 823616660 /nfs/dbraw/zinc/61/66/60/823616660.db2.gz ASTCWVFUMFCFMR-UHFFFAOYSA-N 1 0 383.536 4.063 20 0 GIADRO COc1ccc(CNC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)cc1F ZINC000061868949 823616940 /nfs/dbraw/zinc/61/69/40/823616940.db2.gz AGNNZJVVPLBUJO-QGZVFWFLSA-N 1 0 399.510 4.066 20 0 GIADRO CO[C@@](C)([C@H](C)[NH2+]CCC(=O)N[C@H](c1cccs1)c1ccccc1)C1CC1 ZINC000411973318 823617197 /nfs/dbraw/zinc/61/71/97/823617197.db2.gz RQTDDCKUGOCLCM-SSKFGXFMSA-N 1 0 386.561 4.137 20 0 GIADRO CO[C@](C)([C@@H](C)[NH2+]Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1)C1CC1 ZINC000411978031 823617391 /nfs/dbraw/zinc/61/73/91/823617391.db2.gz YNYUGJQPJOBIOB-VGOFRKELSA-N 1 0 387.545 4.121 20 0 GIADRO Cc1csc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1Br ZINC000190861948 823617556 /nfs/dbraw/zinc/61/75/56/823617556.db2.gz YYPGPPBZWVQIMH-UHFFFAOYSA-N 1 0 393.350 4.345 20 0 GIADRO CC(C)Oc1ccc(CCNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000061896219 823617722 /nfs/dbraw/zinc/61/77/22/823617722.db2.gz JMNHKHHBCSVJSP-UHFFFAOYSA-N 1 0 395.547 4.112 20 0 GIADRO CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000411992970 823618826 /nfs/dbraw/zinc/61/88/26/823618826.db2.gz XXWHFFQQMFRWEK-OFNKIYASSA-N 1 0 392.543 4.277 20 0 GIADRO CCCC[C@@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)c1ccc(OC)cc1 ZINC000412003257 823620859 /nfs/dbraw/zinc/62/08/59/823620859.db2.gz PGQYCNSLZZQDPT-PZJWPPBQSA-N 1 0 390.593 4.260 20 0 GIADRO CC(C)c1ccccc1OC[C@H](O)C[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412005212 823621304 /nfs/dbraw/zinc/62/13/04/823621304.db2.gz ZTTZILVCBRIECL-QPPBQGQZSA-N 1 0 395.543 4.403 20 0 GIADRO OCC1([C@@H]([NH2+]Cc2cc(Br)cs2)c2ccccc2)CCOCC1 ZINC000412005122 823621365 /nfs/dbraw/zinc/62/13/65/823621365.db2.gz AUHONGPYTZYFMV-KRWDZBQOSA-N 1 0 396.350 4.131 20 0 GIADRO Cc1c([C@H](C)[NH2+]Cc2ccc(N(C)C(C)C)nc2)cnn1-c1ccc(F)cc1 ZINC000190898449 823621625 /nfs/dbraw/zinc/62/16/25/823621625.db2.gz MRUNVYAMPLQGIN-INIZCTEOSA-N 1 0 381.499 4.410 20 0 GIADRO OCC1([C@@H]([NH2+]CCSc2ccccc2F)c2ccccc2)CCOCC1 ZINC000412007089 823621723 /nfs/dbraw/zinc/62/17/23/823621723.db2.gz IYZMJFDKAQARET-FQEVSTJZSA-N 1 0 375.509 4.038 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)c1cnc([C@@H]2CCCO2)s1 ZINC000124735022 823622015 /nfs/dbraw/zinc/62/20/15/823622015.db2.gz WDWPAUNXOQIOFO-IBGZPJMESA-N 1 0 399.560 4.301 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)c1cnc([C@H]2CCCO2)s1 ZINC000124735237 823622065 /nfs/dbraw/zinc/62/20/65/823622065.db2.gz WDWPAUNXOQIOFO-LJQANCHMSA-N 1 0 399.560 4.301 20 0 GIADRO CC(C)(CNC(=O)NCc1cc2ccccc2o1)[N@@H+]1CCc2ccccc2C1 ZINC000062029681 823622208 /nfs/dbraw/zinc/62/22/08/823622208.db2.gz JRYZKXMIDTXJMM-UHFFFAOYSA-N 1 0 377.488 4.069 20 0 GIADRO CC(C)OCc1ccccc1CNC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000062016514 823622233 /nfs/dbraw/zinc/62/22/33/823622233.db2.gz OTCGDRBFEWIFSG-QHCPKHFHSA-N 1 0 395.547 4.075 20 0 GIADRO CC(C)(C)CN1CCC[C@H]([N@@H+]2CCC[C@H](c3nc4ccc(F)cc4o3)C2)C1=O ZINC000461357287 823622306 /nfs/dbraw/zinc/62/23/06/823622306.db2.gz BUWYDJKHUWTVFH-YJBOKZPZSA-N 1 0 387.499 4.183 20 0 GIADRO O=C(CC[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1)N1CCCc2ccccc21 ZINC000412013934 823622645 /nfs/dbraw/zinc/62/26/45/823622645.db2.gz PMPMYPWOSFQCIR-XMMPIXPASA-N 1 0 390.527 4.210 20 0 GIADRO O=C1CCCN1[C@H]1CCC[N@@H+]([C@@H]2CCCc3ccc(Br)cc32)CC1 ZINC000412057016 823624453 /nfs/dbraw/zinc/62/44/53/823624453.db2.gz PYJJLBWTOZRPRZ-PKOBYXMFSA-N 1 0 391.353 4.303 20 0 GIADRO CC(C)[NH+](CCN(C)Cc1nnc(-c2cc3c(s2)CCCC3)o1)C(C)C ZINC000461372657 823624913 /nfs/dbraw/zinc/62/49/13/823624913.db2.gz NZLPIGZEBXAQHL-UHFFFAOYSA-N 1 0 376.570 4.228 20 0 GIADRO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1C(F)(F)F ZINC000062230757 823625331 /nfs/dbraw/zinc/62/53/31/823625331.db2.gz PHOLFYPESGECQS-KRWDZBQOSA-N 1 0 376.422 4.347 20 0 GIADRO COC(=O)[C@]1(C)CCC[N@@H+]([C@H](C)c2nnc(-c3ccc(Cl)c(Cl)c3)o2)C1 ZINC000412072127 823625695 /nfs/dbraw/zinc/62/56/95/823625695.db2.gz PQNLUYWWSCWWAN-ADLMAVQZSA-N 1 0 398.290 4.380 20 0 GIADRO CCOc1ccc(C[NH2+]C2CCN(c3nc4ccccc4s3)CC2)cc1OC ZINC000062259706 823626969 /nfs/dbraw/zinc/62/69/69/823626969.db2.gz VFYWDAKKZFAWCO-UHFFFAOYSA-N 1 0 397.544 4.462 20 0 GIADRO Cc1ccnc(Oc2ccc(NC(=O)NC[C@@H](c3cccs3)[NH+](C)C)cc2)n1 ZINC000124817287 823628367 /nfs/dbraw/zinc/62/83/67/823628367.db2.gz QHKXVIFWZAMEMK-KRWDZBQOSA-N 1 0 397.504 4.063 20 0 GIADRO COCCC[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1ccc(Br)cc1 ZINC000124824869 823629019 /nfs/dbraw/zinc/62/90/19/823629019.db2.gz ZXYVLHVOAZAVAL-MOPGFXCFSA-N 1 0 396.300 4.379 20 0 GIADRO COc1cc(C[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)c2ccccc2n1 ZINC000124824722 823629025 /nfs/dbraw/zinc/62/90/25/823629025.db2.gz OKVZHJDSTZBHDG-OAHLLOKOSA-N 1 0 377.444 4.051 20 0 GIADRO COCCOC1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2ccc(C)o2)CC1 ZINC000124825099 823629033 /nfs/dbraw/zinc/62/90/33/823629033.db2.gz SSPSLKXNDTWBPC-UHFFFAOYSA-N 1 0 395.503 4.068 20 0 GIADRO CCc1ccc([C@H](CNC(=O)c2cnn(CC(C)C)c2C(F)F)[NH+](C)C)cc1 ZINC000124828488 823629379 /nfs/dbraw/zinc/62/93/79/823629379.db2.gz DERHPJXGWDWDCG-SFHVURJKSA-N 1 0 392.494 4.072 20 0 GIADRO COc1cc(C[NH2+][C@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)c2ccccc2n1 ZINC000124831177 823629548 /nfs/dbraw/zinc/62/95/48/823629548.db2.gz WIXHBQOKZZUTCZ-CQSZACIVSA-N 1 0 375.472 4.324 20 0 GIADRO c1ccc(-c2noc(C3CC[NH+](C[C@@H]4CCC5(CCCCC5)O4)CC3)n2)nc1 ZINC000190956110 823630157 /nfs/dbraw/zinc/63/01/57/823630157.db2.gz OHTIWQXBUPEYSL-SFHVURJKSA-N 1 0 382.508 4.193 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+]CC(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1 ZINC000124840136 823630221 /nfs/dbraw/zinc/63/02/21/823630221.db2.gz CCVUGJOLKRHJIE-INIZCTEOSA-N 1 0 392.503 4.177 20 0 GIADRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000062369429 823630256 /nfs/dbraw/zinc/63/02/56/823630256.db2.gz GLSFSPCWIRIZPX-UHFFFAOYSA-N 1 0 383.389 4.440 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)Nc1ccc(O)c(Cl)c1 ZINC000190956114 823630266 /nfs/dbraw/zinc/63/02/66/823630266.db2.gz AKQJNEIXBNTGIB-UHFFFAOYSA-N 1 0 391.924 4.281 20 0 GIADRO Cc1noc(C)c1C[C@@H](C)NC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000124841854 823630285 /nfs/dbraw/zinc/63/02/85/823630285.db2.gz BDWFCTAGFDMGPW-QGZVFWFLSA-N 1 0 398.551 4.098 20 0 GIADRO C[C@@H]1C[C@@H]1[C@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)c1ccc(Cl)cc1 ZINC000412149867 823630628 /nfs/dbraw/zinc/63/06/28/823630628.db2.gz WNAOVBZYKRSXHP-QRKUABHPSA-N 1 0 392.996 4.371 20 0 GIADRO FC(F)(F)c1ccc2c(c1)[nH+]ccc2N1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000124860214 823631830 /nfs/dbraw/zinc/63/18/30/823631830.db2.gz FWIWNUSZXPJXRT-ZDUSSCGKSA-N 1 0 387.409 4.175 20 0 GIADRO COc1cc(OC)c([C@H](C)[NH2+][C@@H]2CCC[C@H](C(=O)NC(C)C)C2)cc1Cl ZINC000124866782 823632383 /nfs/dbraw/zinc/63/23/83/823632383.db2.gz KZOUGZMIEYFRPD-SOUVJXGZSA-N 1 0 382.932 4.091 20 0 GIADRO CC(C)(C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)c1ccc(F)cc1 ZINC000461425177 823633804 /nfs/dbraw/zinc/63/38/04/823633804.db2.gz CMQRUAMFAIEPEW-UXHICEINSA-N 1 0 380.507 4.084 20 0 GIADRO CC(C)(C)n1ccnc1SCC(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000124887460 823633915 /nfs/dbraw/zinc/63/39/15/823633915.db2.gz AXCYBSQMFUOJHI-UHFFFAOYSA-N 1 0 386.565 4.007 20 0 GIADRO COc1ccc(Cl)c(NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)c1 ZINC000062411609 823633958 /nfs/dbraw/zinc/63/39/58/823633958.db2.gz QZTNALKUERNEHV-UHFFFAOYSA-N 1 0 397.853 4.223 20 0 GIADRO C[C@H](CC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)c1ccc(F)cc1F ZINC000461426906 823634337 /nfs/dbraw/zinc/63/43/37/823634337.db2.gz JXVUXNCTKRRGMP-MISYRCLQSA-N 1 0 398.497 4.439 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)N(C)[C@H](C)c1ccco1)[NH+]1CCCCC1 ZINC000124893653 823634453 /nfs/dbraw/zinc/63/44/53/823634453.db2.gz WCDZNJWGOPKXBO-IEBWSBKVSA-N 1 0 385.508 4.218 20 0 GIADRO O=C(CCc1cncc2ccccc21)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461427023 823634526 /nfs/dbraw/zinc/63/45/26/823634526.db2.gz KITXHHZSBHVAIG-ZEQRLZLVSA-N 1 0 399.538 4.148 20 0 GIADRO Cc1nc2ccc(C(=O)N3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@@H]4C3)cc2s1 ZINC000461428919 823634862 /nfs/dbraw/zinc/63/48/62/823634862.db2.gz UAOCQXYHXDTTMP-VQTJNVASSA-N 1 0 391.540 4.199 20 0 GIADRO CSc1cccc(F)c1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461428848 823634901 /nfs/dbraw/zinc/63/49/01/823634901.db2.gz NUQAANVORNNVJS-MSOLQXFVSA-N 1 0 384.520 4.142 20 0 GIADRO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CCCC[C@H]1c1ccc(F)cc1F ZINC000412199406 823634994 /nfs/dbraw/zinc/63/49/94/823634994.db2.gz OOQRAVADMIUOCM-XLIONFOSSA-N 1 0 394.531 4.236 20 0 GIADRO CCN(C(=O)[C@@H]1C[C@H]1c1cccc(O)c1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000412200499 823635219 /nfs/dbraw/zinc/63/52/19/823635219.db2.gz ZPTZYTVORAIEGI-ZZNFJVAJSA-N 1 0 378.516 4.180 20 0 GIADRO COc1cc(C[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)c2ccccc2n1 ZINC000124900425 823635284 /nfs/dbraw/zinc/63/52/84/823635284.db2.gz KNUPLVHYKZKMFP-HNNXBMFYSA-N 1 0 377.444 4.051 20 0 GIADRO CCNC(=O)COc1cccc(C[NH2+][C@H](C)c2ccc(OC)c3ccccc32)c1 ZINC000124901764 823635293 /nfs/dbraw/zinc/63/52/93/823635293.db2.gz STCAGRAFZFRYDE-QGZVFWFLSA-N 1 0 392.499 4.214 20 0 GIADRO CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412205812 823635470 /nfs/dbraw/zinc/63/54/70/823635470.db2.gz ZKMXIDKBZZTGPI-FGZHOGPDSA-N 1 0 388.621 4.382 20 0 GIADRO Cc1c(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cnc2ccccc12 ZINC000461431103 823635551 /nfs/dbraw/zinc/63/55/51/823635551.db2.gz QLJVFANJNUHNOC-RTWAWAEBSA-N 1 0 385.511 4.137 20 0 GIADRO O=C(CCOc1cccc(Cl)c1Cl)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000461431410 823635732 /nfs/dbraw/zinc/63/57/32/823635732.db2.gz ZTDIHCAYZRRMAM-HNNXBMFYSA-N 1 0 385.335 4.097 20 0 GIADRO CCC(CC)(C[NH2+]Cc1cnc(N(C)C)s1)c1ccc(OC)c(OC)c1 ZINC000461433564 823636277 /nfs/dbraw/zinc/63/62/77/823636277.db2.gz DBOPYFBTPZAMCR-UHFFFAOYSA-N 1 0 377.554 4.074 20 0 GIADRO Cc1ccc(C[C@H](C)C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000461433241 823636305 /nfs/dbraw/zinc/63/63/05/823636305.db2.gz WIZLSGBIWKUAFD-TUACAJSNSA-N 1 0 376.544 4.154 20 0 GIADRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1Oc1ccc(F)cc1Cl ZINC000461435475 823636821 /nfs/dbraw/zinc/63/68/21/823636821.db2.gz IZPPQIQVHATRCT-DOTOQJQBSA-N 1 0 376.859 4.276 20 0 GIADRO COc1cc(C[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)c2ccccc2n1 ZINC000124917274 823636864 /nfs/dbraw/zinc/63/68/64/823636864.db2.gz NSTNXSMGSDCRCU-INIZCTEOSA-N 1 0 375.472 4.221 20 0 GIADRO O=C([C@@H]1C[C@@H]1c1c(F)cccc1F)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461435929 823636899 /nfs/dbraw/zinc/63/68/99/823636899.db2.gz LQKPTQCEVTZOHR-ZGXWSNOMSA-N 1 0 396.481 4.049 20 0 GIADRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1)c1ccccc1Cl ZINC000062474675 823637185 /nfs/dbraw/zinc/63/71/85/823637185.db2.gz SJLJHRPJJHNCBX-CQSZACIVSA-N 1 0 395.881 4.453 20 0 GIADRO C[NH+](C)C1(CNC(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)CCCCC1 ZINC000062474315 823637192 /nfs/dbraw/zinc/63/71/92/823637192.db2.gz PYPRLXCIGJNOHN-UHFFFAOYSA-N 1 0 382.552 4.321 20 0 GIADRO CCOc1ccc([C@@H](C)NC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)cc1 ZINC000062477025 823637244 /nfs/dbraw/zinc/63/72/44/823637244.db2.gz MIXBCWYUONVEIW-QGZVFWFLSA-N 1 0 387.499 4.059 20 0 GIADRO CC[N@H+](CCC1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2OC)CC1)CC(C)C ZINC000412226761 823637368 /nfs/dbraw/zinc/63/73/68/823637368.db2.gz COPKGYYVEZEGLW-FCHUYYIVSA-N 1 0 386.580 4.405 20 0 GIADRO CC[C@@H](NC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)c1nccs1 ZINC000124924470 823637488 /nfs/dbraw/zinc/63/74/88/823637488.db2.gz YNRLTNHGCMQMLG-LJQANCHMSA-N 1 0 386.565 4.470 20 0 GIADRO C[C@H](CCc1ccccc1F)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461438337 823637581 /nfs/dbraw/zinc/63/75/81/823637581.db2.gz LERGXVKGTAJSKR-WTIAFYNJSA-N 1 0 394.534 4.375 20 0 GIADRO COc1ccc(OC)c([C@@H](O)C[NH2+][C@H](C)c2ccc(SCC(F)F)cc2)c1 ZINC000124927637 823637687 /nfs/dbraw/zinc/63/76/87/823637687.db2.gz WENLJLFWHWRORM-ACJLOTCBSA-N 1 0 397.487 4.445 20 0 GIADRO Cc1cc(C)c(C(=O)CCCC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c(C)c1 ZINC000461440245 823637796 /nfs/dbraw/zinc/63/77/96/823637796.db2.gz XHQIAFHWXJJBDA-OAQYLSRUSA-N 1 0 384.564 4.299 20 0 GIADRO Cc1nc(CC(C)C)c(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000461440100 823637844 /nfs/dbraw/zinc/63/78/44/823637844.db2.gz WSZLGMBCXWYJGV-VQTJNVASSA-N 1 0 397.588 4.244 20 0 GIADRO COc1ccc([C@@H](OC)[C@@H](C)NC(=O)c2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000412233418 823637963 /nfs/dbraw/zinc/63/79/63/823637963.db2.gz UCCREOMDVNTWIE-JPYJTQIMSA-N 1 0 396.531 4.187 20 0 GIADRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)NCCc1cccc2ccccc21 ZINC000062486405 823638259 /nfs/dbraw/zinc/63/82/59/823638259.db2.gz XEPFFLLMHZPDRJ-UHFFFAOYSA-N 1 0 393.506 4.295 20 0 GIADRO CCc1cc(N2CCC([NH2+]Cc3ccc(C(F)(F)F)cc3C)CC2)ncn1 ZINC000191013106 823638355 /nfs/dbraw/zinc/63/83/55/823638355.db2.gz JYVAJPMSZXCSNU-UHFFFAOYSA-N 1 0 378.442 4.125 20 0 GIADRO O=C(N[C@@H]1CC=C(c2ccc(F)cc2)CC1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412242246 823639015 /nfs/dbraw/zinc/63/90/15/823639015.db2.gz MCXMLAHTESSIJP-RTWAWAEBSA-N 1 0 388.552 4.095 20 0 GIADRO COc1ccccc1[C@H](C)CC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461444557 823639119 /nfs/dbraw/zinc/63/91/19/823639119.db2.gz LCGPCKLYOLYDCG-HJNYFJLDSA-N 1 0 392.543 4.169 20 0 GIADRO Cc1c2cc(C)ccc2[nH]c1C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461445764 823639156 /nfs/dbraw/zinc/63/91/56/823639156.db2.gz IHGSGWFVIWXMRR-NHCUHLMSSA-N 1 0 387.527 4.379 20 0 GIADRO CSc1c(F)cccc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461449901 823639980 /nfs/dbraw/zinc/63/99/80/823639980.db2.gz PEXRSSSSAOTJOL-QZTJIDSGSA-N 1 0 384.520 4.142 20 0 GIADRO CSc1c(F)cccc1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461449900 823640008 /nfs/dbraw/zinc/64/00/08/823640008.db2.gz PEXRSSSSAOTJOL-MSOLQXFVSA-N 1 0 384.520 4.142 20 0 GIADRO COc1ccccc1CN(C(=O)NC1CC[NH+](CC2CCCCC2)CC1)C1CC1 ZINC000062528350 823640119 /nfs/dbraw/zinc/64/01/19/823640119.db2.gz KUWLMGDDHNCKQG-UHFFFAOYSA-N 1 0 399.579 4.414 20 0 GIADRO CC[C@H](C(=O)N[C@@H](c1ccc(OC)cc1)c1ccccc1OC)[NH+](CC)CC ZINC000461451297 823640349 /nfs/dbraw/zinc/64/03/49/823640349.db2.gz DDVTWSIHZUGQAZ-IRLDBZIGSA-N 1 0 384.520 4.030 20 0 GIADRO CC1CC[NH+](CCCCNC(=O)N(Cc2c(F)cccc2F)C2CC2)CC1 ZINC000191032694 823640342 /nfs/dbraw/zinc/64/03/42/823640342.db2.gz JVLDJEPGMNVGIU-UHFFFAOYSA-N 1 0 379.495 4.151 20 0 GIADRO COc1cc([C@H](C)[NH2+]C[C@@H](O)CC2CCCC2)ccc1OCc1ccncc1 ZINC000191044016 823641621 /nfs/dbraw/zinc/64/16/21/823641621.db2.gz QNJNHCDTSOENAR-UWJYYQICSA-N 1 0 384.520 4.261 20 0 GIADRO O=C(c1cc(F)c(Cl)cc1F)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461457011 823641657 /nfs/dbraw/zinc/64/16/57/823641657.db2.gz PASZGUCQQYUBQS-JKSUJKDBSA-N 1 0 390.861 4.212 20 0 GIADRO CCCCc1ccc(NC(=O)C(=O)NC2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000062637773 823642814 /nfs/dbraw/zinc/64/28/14/823642814.db2.gz OPZQLGKAQUEOQV-UHFFFAOYSA-N 1 0 399.579 4.129 20 0 GIADRO CCCNC(=O)c1cccc(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000124988778 823643043 /nfs/dbraw/zinc/64/30/43/823643043.db2.gz YYYKCNQKRXYGSC-UHFFFAOYSA-N 1 0 379.504 4.065 20 0 GIADRO O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC(=O)c2ccccc21 ZINC000461468418 823643286 /nfs/dbraw/zinc/64/32/86/823643286.db2.gz JROYMYMTAXZQBZ-NFBKMPQASA-N 1 0 390.527 4.165 20 0 GIADRO CCN(C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1)[C@H](C)c1cccc(OC)c1 ZINC000062647780 823643407 /nfs/dbraw/zinc/64/34/07/823643407.db2.gz HWKVCHRNKGWDIB-SVMVAKDDSA-N 1 0 375.557 4.298 20 0 GIADRO Cc1csc(N2CCC([NH2+]C[C@H](c3ccc(C)cc3)N3CCCC3)CC2)n1 ZINC000124994259 823643448 /nfs/dbraw/zinc/64/34/48/823643448.db2.gz AQDQBURZQOGWFJ-OAQYLSRUSA-N 1 0 384.593 4.155 20 0 GIADRO CC(C)[C@@H](C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000461469104 823643525 /nfs/dbraw/zinc/64/35/25/823643525.db2.gz UUIPBEPFQIZTBU-JTHBVZDNSA-N 1 0 379.548 4.240 20 0 GIADRO CC[C@H](Nc1ccccc1)C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000461471882 823643924 /nfs/dbraw/zinc/64/39/24/823643924.db2.gz IBMXUDQCPKRIMP-GMAHTHKFSA-N 1 0 379.548 4.296 20 0 GIADRO Cc1ccc(-c2cccnc2)cc1NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412302640 823644513 /nfs/dbraw/zinc/64/45/13/823644513.db2.gz GOWCMNRWOUKSRM-FQEVSTJZSA-N 1 0 381.545 4.213 20 0 GIADRO O=C(c1ccc(Oc2ccncc2)c(Cl)c1)N1CCC[N@H+](CC2CCC2)CC1 ZINC000412304347 823644747 /nfs/dbraw/zinc/64/47/47/823644747.db2.gz AHAWFBUCYVMBSN-UHFFFAOYSA-N 1 0 399.922 4.475 20 0 GIADRO C[C@@H](NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1cccc(O)c1 ZINC000191076887 823645600 /nfs/dbraw/zinc/64/56/00/823645600.db2.gz JWNLFDJPFSIOBW-WAOWUJCRSA-N 1 0 381.520 4.148 20 0 GIADRO CC(C)Cc1nnc(N2CCC[C@@H]([NH+]3CCCC3)CC2)n1Cc1cccs1 ZINC000461483069 823645894 /nfs/dbraw/zinc/64/58/94/823645894.db2.gz CDLYCEWIAXZKBP-GOSISDBHSA-N 1 0 387.597 4.041 20 0 GIADRO O=C(Nc1ccc2ccc(Cl)cc2n1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412319904 823646113 /nfs/dbraw/zinc/64/61/13/823646113.db2.gz KSXKCYGJURCJTJ-MRXNPFEDSA-N 1 0 375.925 4.044 20 0 GIADRO O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000412327176 823646593 /nfs/dbraw/zinc/64/65/93/823646593.db2.gz KSRZRBAMHFROQG-LRSLUSHPSA-N 1 0 384.589 4.141 20 0 GIADRO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000412327174 823646606 /nfs/dbraw/zinc/64/66/06/823646606.db2.gz KSRZRBAMHFROQG-CIAFKFPVSA-N 1 0 384.589 4.141 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000191084204 823646624 /nfs/dbraw/zinc/64/66/24/823646624.db2.gz MNDDLPPEVJSJJC-CVEARBPZSA-N 1 0 385.474 4.182 20 0 GIADRO CC[C@H](C)c1nnc(N(C)[C@H]2CC[N@H+](CC)[C@H](C)C2)n1Cc1cccs1 ZINC000461488512 823646963 /nfs/dbraw/zinc/64/69/63/823646963.db2.gz HSOIIDNJYSMRQH-BBWFWOEESA-N 1 0 375.586 4.210 20 0 GIADRO CC[C@H](c1nnc(N2CC[NH+](CC)CC2)n1Cc1cccs1)c1ccccc1 ZINC000461495096 823648348 /nfs/dbraw/zinc/64/83/48/823648348.db2.gz KISDLFQYIUUVJW-FQEVSTJZSA-N 1 0 395.576 4.072 20 0 GIADRO Fc1ccc(OC2CC[NH+](CCCc3nc(-c4ccccc4)no3)CC2)c(F)c1 ZINC000125055165 823648545 /nfs/dbraw/zinc/64/85/45/823648545.db2.gz HVDBKBUZLNGWMV-UHFFFAOYSA-N 1 0 399.441 4.491 20 0 GIADRO COc1cccc(O[C@H](C)C[NH2+][C@H](C)c2ccc(NC(=O)NC3CC3)cc2)c1 ZINC000125062848 823649139 /nfs/dbraw/zinc/64/91/39/823649139.db2.gz HRDYNCKDDUEVLQ-HZPDHXFCSA-N 1 0 383.492 4.097 20 0 GIADRO C[C@@H](CNC(=O)N1CCC(n2ccnc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000191101483 823649242 /nfs/dbraw/zinc/64/92/42/823649242.db2.gz WLWONQDUZUOGPB-AWEZNQCLSA-N 1 0 380.414 4.052 20 0 GIADRO COc1ccc(CC[C@@H](C)NC(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000062932588 823649732 /nfs/dbraw/zinc/64/97/32/823649732.db2.gz UYUZDFCWNCMVTC-LJQANCHMSA-N 1 0 395.547 4.112 20 0 GIADRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)c1cc(-c2ccccc2F)on1 ZINC000063080277 823650362 /nfs/dbraw/zinc/65/03/62/823650362.db2.gz CKPNOYHYHTZBBB-UHFFFAOYSA-N 1 0 393.462 4.123 20 0 GIADRO C[C@@H](NC(=O)NC1CCC(C[NH+](C)C)CC1)c1ccc(-c2ccncc2)cc1 ZINC000125079544 823650392 /nfs/dbraw/zinc/65/03/92/823650392.db2.gz XDTGPXLDLZXJLL-PDDLGQBUSA-N 1 0 380.536 4.229 20 0 GIADRO COc1ccccc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000412370147 823650469 /nfs/dbraw/zinc/65/04/69/823650469.db2.gz OXTYJBOVFDRZGE-ACIOBRDBSA-N 1 0 392.543 4.217 20 0 GIADRO COc1ccc(CCCCC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000063081856 823650898 /nfs/dbraw/zinc/65/08/98/823650898.db2.gz NLKZHTYMBPEIII-UHFFFAOYSA-N 1 0 394.559 4.436 20 0 GIADRO O=C(c1ccc(C[NH+]2CCSCC2)cc1)N1CC(c2ccc(Cl)cc2)C1 ZINC000412389772 823651865 /nfs/dbraw/zinc/65/18/65/823651865.db2.gz SKKXRPXIJODSOI-UHFFFAOYSA-N 1 0 386.948 4.128 20 0 GIADRO CC(=O)c1c[nH]c(C(=O)N(CCC[NH+](C)C)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000063118848 823652070 /nfs/dbraw/zinc/65/20/70/823652070.db2.gz MGPGKAFLRBKUMG-UHFFFAOYSA-N 1 0 396.318 4.118 20 0 GIADRO O=C(COc1ccc(Cl)cc1C1CCCCC1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000063114397 823652075 /nfs/dbraw/zinc/65/20/75/823652075.db2.gz QNXKDXCSNIDLRL-KRWDZBQOSA-N 1 0 376.928 4.119 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1csc(Cl)c1 ZINC000191128156 823652067 /nfs/dbraw/zinc/65/20/67/823652067.db2.gz QDLMTVRJWCDLKE-AWEZNQCLSA-N 1 0 398.981 4.427 20 0 GIADRO CC(C)N(Cc1ccccc1)C(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000063142982 823652575 /nfs/dbraw/zinc/65/25/75/823652575.db2.gz WOJRGWLXZGHORC-UHFFFAOYSA-N 1 0 381.589 4.436 20 0 GIADRO C[NH+]1CCC(NC(=S)N[C@@H](CCCc2ccccc2)c2ccccc2)CC1 ZINC000063145679 823652768 /nfs/dbraw/zinc/65/27/68/823652768.db2.gz PKWCSWMOZMGPHO-QFIPXVFZSA-N 1 0 381.589 4.309 20 0 GIADRO S=C(NC1CC[NH+](Cc2ccccc2)CC1)N[C@@H]1CCSc2ccccc21 ZINC000063144812 823652806 /nfs/dbraw/zinc/65/28/06/823652806.db2.gz MZPLERRHWOGMKT-HXUWFJFHSA-N 1 0 397.613 4.352 20 0 GIADRO C[NH+]1CCC(NC(=S)N[C@H](c2cccs2)c2ccc(Cl)cc2)CC1 ZINC000063149497 823653186 /nfs/dbraw/zinc/65/31/86/823653186.db2.gz KTDQEKXITUQOOI-KRWDZBQOSA-N 1 0 379.982 4.049 20 0 GIADRO Cc1c([C@@H](C)[NH2+]C[C@H](O)c2ccco2)cnn1-c1ccc(Cl)cc1Cl ZINC000125145037 823654851 /nfs/dbraw/zinc/65/48/51/823654851.db2.gz ZQDPRATZUAMHNW-DIFFPNOSSA-N 1 0 380.275 4.465 20 0 GIADRO Cc1ccc(C)c(-n2cnc3cc(C(=O)N(C)[C@H]4CC[N@@H+](C)C[C@@H]4C)ccc32)c1 ZINC000191159909 823654955 /nfs/dbraw/zinc/65/49/55/823654955.db2.gz MZKDNOMIMRYNTJ-RXVVDRJESA-N 1 0 390.531 4.055 20 0 GIADRO C[C@@H](c1nc(-c2ccc(-n3cnc4ccccc43)nc2)no1)[NH+]1CCCCCC1 ZINC000191169315 823655799 /nfs/dbraw/zinc/65/57/99/823655799.db2.gz PULJRCVNIQUICC-INIZCTEOSA-N 1 0 388.475 4.408 20 0 GIADRO C[NH+](C)Cc1ccc(NC(=O)CCc2ccc(Br)cc2F)cc1 ZINC000063241634 823656260 /nfs/dbraw/zinc/65/62/60/823656260.db2.gz TZMDDDKXMVZMIF-UHFFFAOYSA-N 1 0 379.273 4.221 20 0 GIADRO CCCCN(C(=O)c1cccc(-c2nc[nH]n2)c1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000125183292 823657381 /nfs/dbraw/zinc/65/73/81/823657381.db2.gz OZSRRDIUFISOLH-UHFFFAOYSA-N 1 0 383.540 4.023 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)c3cc4ccccc4o3)CC2)cc1 ZINC000063263731 823658008 /nfs/dbraw/zinc/65/80/08/823658008.db2.gz XUKBWQUPIPMCEH-UHFFFAOYSA-N 1 0 378.472 4.083 20 0 GIADRO CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+][C@H](C)c2csc(Cl)c2)cc1 ZINC000191209661 823659385 /nfs/dbraw/zinc/65/93/85/823659385.db2.gz YUXRCFASEJSPGZ-CYBMUJFWSA-N 1 0 386.970 4.281 20 0 GIADRO Cc1c([C@H](C)[NH2+]C[C@@H](O)COc2cccc(C(F)(F)F)c2)cnn1C(C)(C)C ZINC000191209955 823659445 /nfs/dbraw/zinc/65/94/45/823659445.db2.gz QECITTMKGBEZJQ-XJKSGUPXSA-N 1 0 399.457 4.056 20 0 GIADRO CC(=O)c1ccc2c(c1)CN(C(=O)[C@@H](C)[NH+]1CCC(Cc3ccccc3)CC1)C2 ZINC000412529722 823659590 /nfs/dbraw/zinc/65/95/90/823659590.db2.gz AQBDXBXRTMUIPY-GOSISDBHSA-N 1 0 390.527 4.075 20 0 GIADRO CCc1noc(CC)c1CC(=O)N(CC)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000125214826 823659647 /nfs/dbraw/zinc/65/96/47/823659647.db2.gz ZXWBKPMDKOBWHX-HKUYNNGSSA-N 1 0 383.536 4.026 20 0 GIADRO CCc1ccc(C[N@H+](CCCOc2ccc(S(C)(=O)=O)cc2)C2CC2)cc1 ZINC000063286364 823659978 /nfs/dbraw/zinc/65/99/78/823659978.db2.gz LXSPVUIAXKJKOS-UHFFFAOYSA-N 1 0 387.545 4.086 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)NCc2ccc(Sc3ccccc3)cc2)CC[N@@H+]1C ZINC000125234986 823661035 /nfs/dbraw/zinc/66/10/35/823661035.db2.gz SEQMERSUASSXEF-PKOBYXMFSA-N 1 0 383.561 4.462 20 0 GIADRO Cc1ccc(-n2cccn2)cc1NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000191228984 823661330 /nfs/dbraw/zinc/66/13/30/823661330.db2.gz IEMLRXIOBWKCFM-HXUWFJFHSA-N 1 0 395.551 4.301 20 0 GIADRO C[NH+](C)Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2OC(F)F)c(F)c1 ZINC000412555885 823661953 /nfs/dbraw/zinc/66/19/53/823661953.db2.gz CSJDWMDXZJGNOB-CABCVRRESA-N 1 0 378.394 4.231 20 0 GIADRO Cc1cc(C(=O)Nc2ccc(C[NH+](C)C)cc2F)c(C)n1Cc1ccncc1 ZINC000412556051 823662008 /nfs/dbraw/zinc/66/20/08/823662008.db2.gz DKHNPLRHISLQAQ-UHFFFAOYSA-N 1 0 380.467 4.001 20 0 GIADRO COc1ccccc1[C@@H](NC(=O)NC1CCC(C[NH+](C)C)CC1)c1ccccc1 ZINC000125247677 823662093 /nfs/dbraw/zinc/66/20/93/823662093.db2.gz SFAFEHSBAQGIMU-PXLSRWGNSA-N 1 0 395.547 4.204 20 0 GIADRO COc1ccc2cc(CNC(=O)NC3CC[NH+](CC4CCCC4)CC3)ccc2c1 ZINC000063321485 823662323 /nfs/dbraw/zinc/66/23/23/823662323.db2.gz BQBJYFXUZIWWET-UHFFFAOYSA-N 1 0 395.547 4.302 20 0 GIADRO C[NH+](C)Cc1ccc(NC(=O)c2cccc(-c3noc(C4CC4)n3)c2)c(F)c1 ZINC000412560608 823662333 /nfs/dbraw/zinc/66/23/33/823662333.db2.gz QDQMROJKAYXZFZ-UHFFFAOYSA-N 1 0 380.423 4.067 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)C[C@H]1CCCc2ccccc21 ZINC000412562469 823662558 /nfs/dbraw/zinc/66/25/58/823662558.db2.gz HVEGPOLPTLAHJN-GOSISDBHSA-N 1 0 382.504 4.084 20 0 GIADRO C[NH+](C)Cc1ccc(NC(=O)CCc2ccccc2Br)c(F)c1 ZINC000412563412 823662714 /nfs/dbraw/zinc/66/27/14/823662714.db2.gz ZMXIABWZJDTLNF-UHFFFAOYSA-N 1 0 379.273 4.221 20 0 GIADRO C[NH+](C)Cc1ccc(NC(=O)CCc2cc(F)ccc2Br)c(F)c1 ZINC000412563411 823662718 /nfs/dbraw/zinc/66/27/18/823662718.db2.gz ZMWPRTNJJJSJPQ-UHFFFAOYSA-N 1 0 397.263 4.360 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)c1cc(Cl)ccc1Cl ZINC000412563195 823662732 /nfs/dbraw/zinc/66/27/32/823662732.db2.gz KLALLDQYKFSWOE-UHFFFAOYSA-N 1 0 383.275 4.195 20 0 GIADRO C[NH+](C)Cc1ccc(NC(=O)c2cc(NC(=O)C(C)(C)C)ccc2F)c(F)c1 ZINC000412563099 823662786 /nfs/dbraw/zinc/66/27/86/823662786.db2.gz YQSNLLCNUSSNLL-UHFFFAOYSA-N 1 0 389.446 4.263 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000412565640 823663031 /nfs/dbraw/zinc/66/30/31/823663031.db2.gz CZOIAPMPQQTODF-ZIAGYGMSSA-N 1 0 394.924 4.093 20 0 GIADRO CC(C)[C@H](CNC(=O)NC1CC[NH+](CC2CCCC2)CC1)Nc1ccccc1 ZINC000063332001 823663322 /nfs/dbraw/zinc/66/33/22/823663322.db2.gz PWCHYCOSIUFWGA-QFIPXVFZSA-N 1 0 386.584 4.077 20 0 GIADRO CN(Cc1c(F)cccc1Cl)C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000063333737 823663619 /nfs/dbraw/zinc/66/36/19/823663619.db2.gz QBTIYZSRYLUXDD-UHFFFAOYSA-N 1 0 381.923 4.275 20 0 GIADRO O=C(NC1CC[NH+](CC2CCCC2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000063333842 823663627 /nfs/dbraw/zinc/66/36/27/823663627.db2.gz KNGZWVDIMJWTBY-UHFFFAOYSA-N 1 0 383.580 4.305 20 0 GIADRO COc1cc([C@@H](C)[NH2+]C[C@@H](O)c2ccc(C(C)(C)C)cc2)cc(OC)c1OC ZINC000125269849 823663810 /nfs/dbraw/zinc/66/38/10/823663810.db2.gz WPWAJUDWAFLUIO-DNVCBOLYSA-N 1 0 387.520 4.394 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCc2cc(Cl)ccc21)c1cccc(N2CCCS2(=O)=O)c1 ZINC000125273894 823664067 /nfs/dbraw/zinc/66/40/67/823664067.db2.gz BZSPTQNVVVFVAN-VBKZILBWSA-N 1 0 390.936 4.218 20 0 GIADRO Cc1c([C@@H](C)[NH2+]C2CCN(C(=O)c3ccc(C)cc3)CC2)cnn1C(C)(C)C ZINC000191257475 823664197 /nfs/dbraw/zinc/66/41/97/823664197.db2.gz HGYYDEWUCMMOOI-QGZVFWFLSA-N 1 0 382.552 4.210 20 0 GIADRO CC[C@H](C)OCC(=O)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1 ZINC000125291847 823665376 /nfs/dbraw/zinc/66/53/76/823665376.db2.gz UEEFENNDSNVMHU-SFHVURJKSA-N 1 0 377.488 4.030 20 0 GIADRO Cc1ccc(-n2cccn2)cc1NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000191275448 823666253 /nfs/dbraw/zinc/66/62/53/823666253.db2.gz GFGRPKVLQOCTHB-UHFFFAOYSA-N 1 0 389.503 4.098 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)Nc3cccc(C)c3C)CC2)cc1 ZINC000063388449 823666324 /nfs/dbraw/zinc/66/63/24/823666324.db2.gz JBEGYNOOCKELFK-UHFFFAOYSA-N 1 0 381.520 4.346 20 0 GIADRO Cc1ccc(-c2nc(CC(=O)N3CCC([N@H+]4CCC[C@H]4C)CC3)cs2)cc1 ZINC000125306167 823666506 /nfs/dbraw/zinc/66/65/06/823666506.db2.gz CCDQODMXVMAYFL-QGZVFWFLSA-N 1 0 383.561 4.136 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)Nc3c(C)cccc3C)CC2)cc1 ZINC000063389105 823666527 /nfs/dbraw/zinc/66/65/27/823666527.db2.gz UWTDVTXWIAVNDF-UHFFFAOYSA-N 1 0 381.520 4.346 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)Nc3cc(F)cc(F)c3)CC2)cc1 ZINC000063390164 823666643 /nfs/dbraw/zinc/66/66/43/823666643.db2.gz LQONXFICFQBHGQ-UHFFFAOYSA-N 1 0 389.446 4.007 20 0 GIADRO O=C(Nc1cccc(OCC(F)(F)F)c1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000063391048 823666794 /nfs/dbraw/zinc/66/67/94/823666794.db2.gz YCEYVRGHAJLLFR-UHFFFAOYSA-N 1 0 399.457 4.404 20 0 GIADRO Cc1cc(C)n(-c2ccccc2NC(=O)NC2CC[NH+](CC3CCCC3)CC2)n1 ZINC000063390879 823666800 /nfs/dbraw/zinc/66/68/00/823666800.db2.gz YLPDXRHOPXGHPJ-UHFFFAOYSA-N 1 0 395.551 4.265 20 0 GIADRO COc1cc(Cl)c(Cl)cc1NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000191283506 823667288 /nfs/dbraw/zinc/66/72/88/823667288.db2.gz FKPSGKWIJUWGNJ-PXAZEXFGSA-N 1 0 398.334 4.483 20 0 GIADRO CSc1nnc(CCC[NH2+][C@@H](C)c2cnn(C(C)C)c2C)n1CC(C)C ZINC000191286992 823667655 /nfs/dbraw/zinc/66/76/55/823667655.db2.gz YDBZRMAJUGRIIX-HNNXBMFYSA-N 1 0 378.590 4.025 20 0 GIADRO Cc1ccc(-n2cccn2)cc1NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000191291985 823668373 /nfs/dbraw/zinc/66/83/73/823668373.db2.gz HWMPVECBPRFUGT-UHFFFAOYSA-N 1 0 395.551 4.345 20 0 GIADRO CCOc1cccc([C@@H](C)NC(=O)NCc2cccc(C[NH+](CC)CC)c2)c1 ZINC000063404663 823668700 /nfs/dbraw/zinc/66/87/00/823668700.db2.gz KTRCIWISRPWGEM-GOSISDBHSA-N 1 0 383.536 4.488 20 0 GIADRO CN(Cc1ccccc1N1CCCC1)C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000063408083 823668961 /nfs/dbraw/zinc/66/89/61/823668961.db2.gz DJIGEOYSRKPTDL-UHFFFAOYSA-N 1 0 398.595 4.083 20 0 GIADRO OCC1CC[NH+](Cc2ccccc2NCc2ccc(OCC3CC3)cc2)CC1 ZINC000191303763 823669194 /nfs/dbraw/zinc/66/91/94/823669194.db2.gz VOSMGNLGBVEDMP-UHFFFAOYSA-N 1 0 380.532 4.292 20 0 GIADRO COc1cc2[nH]c(CCC[NH2+]Cc3nccn3-c3ccccc3)cc2c(OC)c1 ZINC000191301904 823669209 /nfs/dbraw/zinc/66/92/09/823669209.db2.gz CUWRDULRKSNSOV-UHFFFAOYSA-N 1 0 390.487 4.093 20 0 GIADRO Cc1c([C@@H](C)[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)cnn1C(C)(C)C ZINC000191301762 823669240 /nfs/dbraw/zinc/66/92/40/823669240.db2.gz RSGHYJPBQCBWBG-ODIFPOPNSA-N 1 0 378.561 4.433 20 0 GIADRO CC[C@H]([NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1)c1cnn(C)c1 ZINC000125344505 823669484 /nfs/dbraw/zinc/66/94/84/823669484.db2.gz HARWMTHOMIGBCU-IBGZPJMESA-N 1 0 380.458 4.144 20 0 GIADRO COc1ccc([C@@H](O)C[NH2+][C@@H](C)c2cnn(-c3cc(C)ccc3C)c2C)cc1 ZINC000125361151 823670546 /nfs/dbraw/zinc/67/05/46/823670546.db2.gz WYYMVJDKUYFOMT-SBUREZEXSA-N 1 0 379.504 4.190 20 0 GIADRO COc1ccc(C)cc1NC(=O)[C@H]([NH2+][C@H](C)C1CCOCC1)c1ccccc1 ZINC000125365002 823670847 /nfs/dbraw/zinc/67/08/47/823670847.db2.gz GNKTUXIBUPNWQP-VGOFRKELSA-N 1 0 382.504 4.088 20 0 GIADRO Cc1cc(NC(=O)c2c(F)ccc(F)c2F)ccc1OCC[NH+]1CCCC1 ZINC000125383073 823672134 /nfs/dbraw/zinc/67/21/34/823672134.db2.gz XNSDJMHQRIPLPE-UHFFFAOYSA-N 1 0 378.394 4.139 20 0 GIADRO CCN(Cc1ccccc1C)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000063464430 823673179 /nfs/dbraw/zinc/67/31/79/823673179.db2.gz RWMSTHKLZLNFOU-JOCHJYFZSA-N 1 0 379.548 4.439 20 0 GIADRO O=C(CCCOc1ccc(F)cc1F)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000063467178 823673574 /nfs/dbraw/zinc/67/35/74/823673574.db2.gz LUFNBVQRGSUPOX-UHFFFAOYSA-N 1 0 394.506 4.238 20 0 GIADRO COc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000125411854 823674318 /nfs/dbraw/zinc/67/43/18/823674318.db2.gz JQOPLPVIUNTEOA-KKUMJFAQSA-N 1 0 392.446 4.213 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1cccc(COCc2ccco2)c1)c1ccccc1 ZINC000125414996 823674475 /nfs/dbraw/zinc/67/44/75/823674475.db2.gz IOGZLCWYLUAFQF-JOCHJYFZSA-N 1 0 393.487 4.421 20 0 GIADRO COc1ccc([C@H]([NH2+]CC(=O)N2C[C@H](C)C[C@@H](C)C2)c2ccc(C)cc2)cc1 ZINC000063479246 823675138 /nfs/dbraw/zinc/67/51/38/823675138.db2.gz DMIPVVANCQFQBA-KHCICDEESA-N 1 0 380.532 4.187 20 0 GIADRO Cc1noc2nc(-c3ccc(C)cc3)cc(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c12 ZINC000461653345 823675510 /nfs/dbraw/zinc/67/55/10/823675510.db2.gz KQRDCWDBDMLZEW-INIZCTEOSA-N 1 0 394.519 4.213 20 0 GIADRO CCS(=O)(=O)c1ccc2oc(C[NH2+][C@@H]3CCC[C@H]3Cc3ccccc3)nc2c1 ZINC000191356062 823675900 /nfs/dbraw/zinc/67/59/00/823675900.db2.gz INICURHTMLTTSZ-PKOBYXMFSA-N 1 0 398.528 4.122 20 0 GIADRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]Cc1csc(CC(=O)Nc2ccccc2)n1 ZINC000191362390 823676610 /nfs/dbraw/zinc/67/66/10/823676610.db2.gz JQECYLIYHHYGIA-ZWKOTPCHSA-N 1 0 387.549 4.008 20 0 GIADRO CCN(CC(=O)N[C@H](C)c1ccc(F)cc1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000063510872 823677221 /nfs/dbraw/zinc/67/72/21/823677221.db2.gz UPLATFZKFJWNSZ-MSYCTHLASA-N 1 0 397.538 4.160 20 0 GIADRO C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000461664317 823677337 /nfs/dbraw/zinc/67/73/37/823677337.db2.gz LBNHHPFONKSTBL-ZYRMUBPZSA-N 1 0 393.531 4.203 20 0 GIADRO C[C@@H](NC(=O)CCSc1ccccc1Br)C(C)(C)C[NH+](C)C ZINC000461676101 823679306 /nfs/dbraw/zinc/67/93/06/823679306.db2.gz WAQDFSZSTCQTQP-CYBMUJFWSA-N 1 0 387.387 4.024 20 0 GIADRO C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[NH+]1CCC(OC2CCCCC2)CC1 ZINC000125479002 823679640 /nfs/dbraw/zinc/67/96/40/823679640.db2.gz VYVYQTIPALDVQB-GOSISDBHSA-N 1 0 397.563 4.029 20 0 GIADRO C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccc(COc3ccc(F)cc3)o2)CC1 ZINC000125499409 823681088 /nfs/dbraw/zinc/68/10/88/823681088.db2.gz JDBAIZDFDAEFSE-MRXNPFEDSA-N 1 0 386.467 4.087 20 0 GIADRO Brc1ccc(CNc2ccc(CC[NH+]3CCSCC3)cc2)o1 ZINC000191418568 823682947 /nfs/dbraw/zinc/68/29/47/823682947.db2.gz QFGBYPLPQWZGKS-UHFFFAOYSA-N 1 0 381.339 4.246 20 0 GIADRO Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)o1 ZINC000461700781 823683638 /nfs/dbraw/zinc/68/36/38/823683638.db2.gz WDJDSIPLABLDMI-KRWDZBQOSA-N 1 0 394.519 4.147 20 0 GIADRO C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2cc(C3CC3)nc3ccc(F)cc32)CC1 ZINC000125559175 823685145 /nfs/dbraw/zinc/68/51/45/823685145.db2.gz BJEBGVBTQIXSNV-OAHLLOKOSA-N 1 0 381.495 4.340 20 0 GIADRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(OC)c(OC(F)F)c1)CCCO2 ZINC000125597375 823688683 /nfs/dbraw/zinc/68/86/83/823688683.db2.gz PMJRBBPFXIRGHS-INIZCTEOSA-N 1 0 379.403 4.309 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@@H]2CCCN(c3cccc(F)c3)C2)cc(OC)c1OC ZINC000125613614 823689966 /nfs/dbraw/zinc/68/99/66/823689966.db2.gz YLLUXOLPHRGHMH-MAUKXSAKSA-N 1 0 388.483 4.171 20 0 GIADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H](C)Cc1ccc(Br)cc1 ZINC000125616375 823690291 /nfs/dbraw/zinc/69/02/91/823690291.db2.gz KUEGQZMYXFDMBJ-JKSUJKDBSA-N 1 0 383.374 4.254 20 0 GIADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)C2(c3cccc(C(F)(F)F)c3)CCCC2)C1 ZINC000063706923 823690319 /nfs/dbraw/zinc/69/03/19/823690319.db2.gz FYTNCDBSROSUER-MRXNPFEDSA-N 1 0 382.470 4.364 20 0 GIADRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+]C[C@@]1(CCO)CCOC1 ZINC000125618499 823690616 /nfs/dbraw/zinc/69/06/16/823690616.db2.gz GGGIYAZFQYLEGL-ORAYPTAESA-N 1 0 380.941 4.212 20 0 GIADRO C[C@@H](CC(=O)NCCC[NH+]1CCCCC1)c1ccc(F)c(Br)c1 ZINC000461744098 823690744 /nfs/dbraw/zinc/69/07/44/823690744.db2.gz DGQKRMLDDAZIMT-AWEZNQCLSA-N 1 0 385.321 4.074 20 0 GIADRO COc1ccc(C[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)cn1 ZINC000191492024 823690730 /nfs/dbraw/zinc/69/07/30/823690730.db2.gz KGZUPLDOVOFHGI-LJQANCHMSA-N 1 0 391.309 4.110 20 0 GIADRO COCc1cc([C@H](C)[NH2+]Cc2ccc(OC)c(OC(F)F)c2)ccc1OC ZINC000125621282 823690785 /nfs/dbraw/zinc/69/07/85/823690785.db2.gz YOBBKJBOZWTILX-ZDUSSCGKSA-N 1 0 381.419 4.302 20 0 GIADRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1CN1CCCC1=O)CCS2 ZINC000191493783 823691178 /nfs/dbraw/zinc/69/11/78/823691178.db2.gz VXKKZVAQKQRHIE-FQEVSTJZSA-N 1 0 382.529 4.144 20 0 GIADRO CC(C)c1cc(C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)c2cnn(C(C)C)c2n1 ZINC000063725004 823691996 /nfs/dbraw/zinc/69/19/96/823691996.db2.gz WVJGDXFPZINEGR-UHFFFAOYSA-N 1 0 385.556 4.082 20 0 GIADRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2cc(-c3cccnc3)nc3ccccc32)CC1 ZINC000063726630 823692185 /nfs/dbraw/zinc/69/21/85/823692185.db2.gz XFKCRQZNMJZDLB-UHFFFAOYSA-N 1 0 388.515 4.243 20 0 GIADRO CCCn1ccnc1CCC[N@H+](C)Cc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000191501901 823692325 /nfs/dbraw/zinc/69/23/25/823692325.db2.gz MDQFKXOVJALEIC-UHFFFAOYSA-N 1 0 399.564 4.348 20 0 GIADRO COc1ccc2c(c1)[C@@H]([NH2+]C1CCN(C(=O)c3ccccc3)CC1)CCS2 ZINC000191503545 823692542 /nfs/dbraw/zinc/69/25/42/823692542.db2.gz OAHMGZOIMQQMNZ-FQEVSTJZSA-N 1 0 382.529 4.127 20 0 GIADRO CCCn1ccnc1CCC[N@H+](C)Cc1csc(-c2cccc(OC)c2)n1 ZINC000191505359 823692870 /nfs/dbraw/zinc/69/28/70/823692870.db2.gz NWAZBPCHQDIOFV-UHFFFAOYSA-N 1 0 384.549 4.490 20 0 GIADRO O=C(NC[C@H]1CC[C@H](c2ccccc2)O1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000461763828 823692900 /nfs/dbraw/zinc/69/29/00/823692900.db2.gz RNYRHOHDJOPXBS-MDNUFGMLSA-N 1 0 399.579 4.204 20 0 GIADRO O=C(Cc1ccc(-n2cccc2)cc1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000063745551 823693085 /nfs/dbraw/zinc/69/30/85/823693085.db2.gz YRNIILNUEMALLG-UHFFFAOYSA-N 1 0 379.548 4.134 20 0 GIADRO Cc1ccc(-n2ncc(C(=O)NC[C@@H](C)[N@@H+]3CCC[C@H](C)C3)c2C(C)C)cc1 ZINC000063749523 823693295 /nfs/dbraw/zinc/69/32/95/823693295.db2.gz YXGRUZHIWKCMJE-RBUKOAKNSA-N 1 0 382.552 4.154 20 0 GIADRO COc1cc(C[N@H+](C)[C@H](CO)c2cccc(Br)c2)ccc1SC ZINC000125657059 823694304 /nfs/dbraw/zinc/69/43/04/823694304.db2.gz TVXFBQYEMBAJNW-MRXNPFEDSA-N 1 0 396.350 4.345 20 0 GIADRO Cc1ccc(CC[N@H+](Cc2ccco2)Cc2cc(=O)n3cc(C)ccc3n2)cc1 ZINC000461776520 823694342 /nfs/dbraw/zinc/69/43/42/823694342.db2.gz PGFQNVMWBORRSV-UHFFFAOYSA-N 1 0 387.483 4.149 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)NCc3c(C)cc(C)cc3C)c(C)c2)CC1 ZINC000063776869 823695080 /nfs/dbraw/zinc/69/50/80/823695080.db2.gz OXJSLPUSTDMFAV-UHFFFAOYSA-N 1 0 394.563 4.384 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)N[C@H](C)c2noc(-c3ccccc3)n2)cc1)C1CC1 ZINC000125674162 823695632 /nfs/dbraw/zinc/69/56/32/823695632.db2.gz AYKPWOHBJZOJIQ-MRXNPFEDSA-N 1 0 390.487 4.212 20 0 GIADRO Cc1ccc(C[NH2+][C@H](C)c2cc(Cl)ccc2O)c(-n2cc(Cl)cn2)n1 ZINC000191528025 823695788 /nfs/dbraw/zinc/69/57/88/823695788.db2.gz JCYUSGZCTBKMAJ-GFCCVEGCSA-N 1 0 377.275 4.439 20 0 GIADRO COc1ccc(C[C@@H](C)[NH2+][C@H](C)c2nc(-c3cccc(F)c3)no2)cc1OC ZINC000191532503 823696521 /nfs/dbraw/zinc/69/65/21/823696521.db2.gz SHSGEXHDZSBDOW-ZIAGYGMSSA-N 1 0 385.439 4.175 20 0 GIADRO Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@@H](C)c3cc4ccccc4o3)CC2)cc1 ZINC000461796765 823696638 /nfs/dbraw/zinc/69/66/38/823696638.db2.gz IZHXWGGUGQASOI-KRWDZBQOSA-N 1 0 398.528 4.245 20 0 GIADRO CCCC[N@H+](C)C[C@H](C)NC(=O)N(C)Cc1c(C)nn(-c2ccccc2C)c1C ZINC000461795833 823696654 /nfs/dbraw/zinc/69/66/54/823696654.db2.gz MPVZQLXLKCRVQD-SFHVURJKSA-N 1 0 399.583 4.059 20 0 GIADRO CC(C)N(Cc1ccc(-c2ccccc2F)s1)C(=S)NCC[NH+](C)C ZINC000063792832 823696765 /nfs/dbraw/zinc/69/67/65/823696765.db2.gz XIAMGCPAGRDIJI-UHFFFAOYSA-N 1 0 379.570 4.201 20 0 GIADRO COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCCN(Cc3ccccc3)C1=O)CCS2 ZINC000191538979 823697575 /nfs/dbraw/zinc/69/75/75/823697575.db2.gz XOKYHZZTFCHMQK-VQTJNVASSA-N 1 0 382.529 4.013 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)N1CCc2ccc(O)cc2C1 ZINC000063799353 823697956 /nfs/dbraw/zinc/69/79/56/823697956.db2.gz QEGHXJNUDBDIBL-UHFFFAOYSA-N 1 0 393.531 4.036 20 0 GIADRO COCc1ccc(C[NH2+][C@H](C)c2ccc(OCc3ccncc3)c(OC)c2)o1 ZINC000125706798 823698656 /nfs/dbraw/zinc/69/86/56/823698656.db2.gz XWRSJSKZFDSDKY-MRXNPFEDSA-N 1 0 382.460 4.259 20 0 GIADRO CC(C)N(C)c1ccc(C[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)cn1 ZINC000191550633 823698778 /nfs/dbraw/zinc/69/87/78/823698778.db2.gz OXLKJHNFCFCTOQ-AZUAARDMSA-N 1 0 377.891 4.339 20 0 GIADRO CCOC(=O)c1csc(CC[NH2+][C@H]2CCCOc3c(Cl)cc(C)cc32)n1 ZINC000191553969 823698957 /nfs/dbraw/zinc/69/89/57/823698957.db2.gz QRBCMYGPBRPZCJ-HNNXBMFYSA-N 1 0 394.924 4.328 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C1(c2cccc(Cl)c2)CCOCC1 ZINC000063821836 823699554 /nfs/dbraw/zinc/69/95/54/823699554.db2.gz LHBKRRWXAIEBFT-SFHVURJKSA-N 1 0 392.971 4.159 20 0 GIADRO CCOC(=O)c1csc(CC[NH2+][C@H]2CCSc3ccc(Cl)cc32)n1 ZINC000191561045 823699924 /nfs/dbraw/zinc/69/99/24/823699924.db2.gz BKJCRYYAXLCCTH-ZDUSSCGKSA-N 1 0 382.938 4.342 20 0 GIADRO OCc1nnc(SCc2ccc(C[NH+]3CCCCC3)cc2)n1-c1ccccc1 ZINC000413008884 823699962 /nfs/dbraw/zinc/69/99/62/823699962.db2.gz ZJBIYKSBZXNNEU-UHFFFAOYSA-N 1 0 394.544 4.038 20 0 GIADRO CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]Cc1ccc(CS(C)(=O)=O)cc1 ZINC000125724181 823700632 /nfs/dbraw/zinc/70/06/32/823700632.db2.gz VQFIKVOOTNZQBX-CQSZACIVSA-N 1 0 381.925 4.134 20 0 GIADRO CCOc1ccc(Cl)cc1[C@H](C)[NH2+]Cc1ccc(CS(C)(=O)=O)cc1 ZINC000125724431 823700641 /nfs/dbraw/zinc/70/06/41/823700641.db2.gz VQFIKVOOTNZQBX-AWEZNQCLSA-N 1 0 381.925 4.134 20 0 GIADRO CC[C@H](CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)CC(F)(F)F ZINC000413051822 823701757 /nfs/dbraw/zinc/70/17/57/823701757.db2.gz XEMJBMJDQCDLCD-GJZGRUSLSA-N 1 0 375.435 4.084 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]Cc1ccc(N(C)C(C)C)nc1 ZINC000191571244 823702187 /nfs/dbraw/zinc/70/21/87/823702187.db2.gz GRQQTATVOJLRQS-CYBMUJFWSA-N 1 0 383.462 4.153 20 0 GIADRO CCN1c2ccc(N[C@H](C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc2CCC1=O ZINC000574320489 823702203 /nfs/dbraw/zinc/70/22/03/823702203.db2.gz ROLICIQFZPJFGZ-WIYYLYMNSA-N 1 0 377.532 4.308 20 0 GIADRO COc1ccc(-c2ccncc2)cc1CN(CC[NH+](C)C)Cc1cccs1 ZINC000574320081 823702249 /nfs/dbraw/zinc/70/22/49/823702249.db2.gz PEDOGTLIZQJBJR-UHFFFAOYSA-N 1 0 381.545 4.383 20 0 GIADRO CCOC(=O)c1csc(C2CC[NH+](CCCOCc3ccccc3)CC2)n1 ZINC000191578495 823703510 /nfs/dbraw/zinc/70/35/10/823703510.db2.gz XZDNPZKBRUYSKH-UHFFFAOYSA-N 1 0 388.533 4.106 20 0 GIADRO CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F ZINC000163355099 823703548 /nfs/dbraw/zinc/70/35/48/823703548.db2.gz YZQWINRSMJSYLU-XJKSGUPXSA-N 1 0 385.430 4.161 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000125753203 823704445 /nfs/dbraw/zinc/70/44/45/823704445.db2.gz SKUXGARVTASUNR-AVRDEDQJSA-N 1 0 398.526 4.264 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@@H]2CCN(c3cccc(Cl)c3)C2)cc(OC)c1OC ZINC000163367952 823704548 /nfs/dbraw/zinc/70/45/48/823704548.db2.gz BTWQAGWGKUUKLB-RHSMWYFYSA-N 1 0 390.911 4.295 20 0 GIADRO Cc1nn(-c2ccc(F)cc2F)c(C)c1CNc1ccc(CC[NH+](C)C)cc1 ZINC000125759291 823705174 /nfs/dbraw/zinc/70/51/74/823705174.db2.gz KNZSLONSTTXMGE-UHFFFAOYSA-N 1 0 384.474 4.484 20 0 GIADRO COc1ccc(OCc2nc(CNc3ccc(CC[NH+](C)C)cc3)cs2)cc1 ZINC000125761888 823705645 /nfs/dbraw/zinc/70/56/45/823705645.db2.gz WIBVPFNUZUSVNV-UHFFFAOYSA-N 1 0 397.544 4.447 20 0 GIADRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1c(C)c2ccccc2oc1=O ZINC000163421422 823707771 /nfs/dbraw/zinc/70/77/71/823707771.db2.gz DOINNHYAODXROE-UHFFFAOYSA-N 1 0 376.456 4.258 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)N1Cc2ccc(C(C)=O)cc2C1)c1ccsc1 ZINC000413112566 823709124 /nfs/dbraw/zinc/70/91/24/823709124.db2.gz VQGYSEXZPLMCKS-FQEVSTJZSA-N 1 0 385.533 4.059 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)N1CC2(CCOCC2)[C@H]1c1ccccc1)C1CCCCC1 ZINC000413113566 823709377 /nfs/dbraw/zinc/70/93/77/823709377.db2.gz WOOHYIBDZOCHPH-FCHUYYIVSA-N 1 0 399.579 4.060 20 0 GIADRO CCCn1nc(C)c(C(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1C ZINC000163442151 823709809 /nfs/dbraw/zinc/70/98/09/823709809.db2.gz QOXGEHVFBOKDIX-KRWDZBQOSA-N 1 0 382.552 4.072 20 0 GIADRO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000191602553 823709786 /nfs/dbraw/zinc/70/97/86/823709786.db2.gz QTQONTAUSJHZBU-GOSISDBHSA-N 1 0 376.545 4.201 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000413117097 823709855 /nfs/dbraw/zinc/70/98/55/823709855.db2.gz XDDRHNAGBYQLJB-IFMALSPDSA-N 1 0 399.579 4.204 20 0 GIADRO COCOc1ccc(OC)cc1C[NH2+]CCc1csc(-c2ccccc2)n1 ZINC000163459204 823711362 /nfs/dbraw/zinc/71/13/62/823711362.db2.gz RWHQAVNXDPZDDF-UHFFFAOYSA-N 1 0 384.501 4.134 20 0 GIADRO C[C@@H](c1ccco1)[N@H+](C)Cc1ccc(Br)cc1N1CCOCC1 ZINC000191610558 823712100 /nfs/dbraw/zinc/71/21/00/823712100.db2.gz FEFUAHKCUSWSRO-AWEZNQCLSA-N 1 0 379.298 4.072 20 0 GIADRO CC(C)CN(C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@@H]1CCCc2cccnc21 ZINC000163495484 823715431 /nfs/dbraw/zinc/71/54/31/823715431.db2.gz VCBNYJOTJDTDGX-TZIWHRDSSA-N 1 0 384.568 4.144 20 0 GIADRO C[C@H]([NH2+]CCN1CCc2ccccc2C1=O)[C@H](C)c1nc2ccccc2s1 ZINC000191628374 823717972 /nfs/dbraw/zinc/71/79/72/823717972.db2.gz ZKXFWVIDEIQJJP-HOTGVXAUSA-N 1 0 379.529 4.076 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CCN1CCc2ccccc2C1=O ZINC000191628065 823718021 /nfs/dbraw/zinc/71/80/21/823718021.db2.gz BJUNOFSJZLFTTO-MRXNPFEDSA-N 1 0 391.540 4.468 20 0 GIADRO CC1CC[NH+]([C@H](CNC(=O)NCc2ccc(Cl)nc2)c2cccs2)CC1 ZINC000125815910 823718210 /nfs/dbraw/zinc/71/82/10/823718210.db2.gz UDNIJEVGBWJGGI-MRXNPFEDSA-N 1 0 392.956 4.069 20 0 GIADRO COCOc1ccc(OC)cc1C[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000163538930 823719026 /nfs/dbraw/zinc/71/90/26/823719026.db2.gz GFUMXWIUBMDGBU-ZDUSSCGKSA-N 1 0 385.382 4.427 20 0 GIADRO COc1cc(Br)ccc1[C@H](C)[NH2+]C1CCN(C(=O)C(C)(C)C)CC1 ZINC000191633307 823719991 /nfs/dbraw/zinc/71/99/91/823719991.db2.gz XVCNXCKVDBXNAB-ZDUSSCGKSA-N 1 0 397.357 4.145 20 0 GIADRO C[C@H](CC[NH2+][C@@H](C)c1ccc(Br)cc1Br)[S@](C)=O ZINC000163545352 823720108 /nfs/dbraw/zinc/72/01/08/823720108.db2.gz XCQKRAATECOKPF-AUSHCKSDSA-N 1 0 397.176 4.019 20 0 GIADRO COc1ccccc1-c1nc(C2CC[NH+](Cc3ccc4c[nH]nc4c3)CC2)no1 ZINC000191633483 823720232 /nfs/dbraw/zinc/72/02/32/823720232.db2.gz PKRFBURGDZYIAS-UHFFFAOYSA-N 1 0 389.459 4.001 20 0 GIADRO CCCn1nc(C)c(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)c1C ZINC000163571029 823723358 /nfs/dbraw/zinc/72/33/58/823723358.db2.gz XSCPJNCRLOCYHX-KRWDZBQOSA-N 1 0 382.552 4.072 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)[C@H]3C[C@@H]3c3sccc3C)CC2)cc1 ZINC000163576935 823724157 /nfs/dbraw/zinc/72/41/57/823724157.db2.gz LZXBKLQYCAIHTL-SFTDATJTSA-N 1 0 398.572 4.197 20 0 GIADRO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CCC[C@H]1Cc1ccccc1Cl ZINC000574422462 823725254 /nfs/dbraw/zinc/72/52/54/823725254.db2.gz KGUSSHUDOHZPIE-RBUKOAKNSA-N 1 0 392.996 4.091 20 0 GIADRO COc1cccc(-c2nc(C[N@@H+]3CCC[C@]3(CO)CC(C)C)cs2)c1OC ZINC000191658511 823725880 /nfs/dbraw/zinc/72/58/80/823725880.db2.gz JTPKXRDUVPCUND-OAQYLSRUSA-N 1 0 390.549 4.200 20 0 GIADRO CC(C)[C@@](C)([NH2+]Cc1ccc(C(=O)N(C)C)[nH]1)c1ccc(Br)cc1 ZINC000191667093 823727489 /nfs/dbraw/zinc/72/74/89/823727489.db2.gz XZTUGOUXDHBWHD-LJQANCHMSA-N 1 0 392.341 4.140 20 0 GIADRO CC[C@@H](CNC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)CC(F)(F)F ZINC000413212748 823729216 /nfs/dbraw/zinc/72/92/16/823729216.db2.gz ZELMXSGHANFGKW-HUUCEWRRSA-N 1 0 391.503 4.238 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccccc1CC(F)(F)F ZINC000163633801 823729932 /nfs/dbraw/zinc/72/99/32/823729932.db2.gz PTLKDKLZSUYBOY-KXBFYZLASA-N 1 0 391.437 4.433 20 0 GIADRO CC(=O)Nc1ccccc1CNc1cc(C)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000191678784 823730580 /nfs/dbraw/zinc/73/05/80/823730580.db2.gz PZUASLDHZNDUTL-UHFFFAOYSA-N 1 0 380.536 4.096 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)Cc3cccc(Cl)c3F)c(C)c2)CC1 ZINC000574441253 823730674 /nfs/dbraw/zinc/73/06/74/823730674.db2.gz DRBKFXLMZQVABF-UHFFFAOYSA-N 1 0 389.902 4.111 20 0 GIADRO Fc1c(Cl)cccc1C1(C[NH2+]Cc2cn(Cc3cccnc3)nn2)CCCC1 ZINC000191680344 823731868 /nfs/dbraw/zinc/73/18/68/823731868.db2.gz HOPLGTUADYYHLE-UHFFFAOYSA-N 1 0 399.901 4.116 20 0 GIADRO Cc1ccc([C@H](OC[C@H](O)C[NH2+][C@H]2CCO[C@@H](C3CC3)C2)c2ccccc2)cc1 ZINC000574446147 823732563 /nfs/dbraw/zinc/73/25/63/823732563.db2.gz REQTUMSPNZIROZ-ZYQDXHPFSA-N 1 0 395.543 4.009 20 0 GIADRO Cc1cc(NC(=O)c2ccoc2C(F)(F)F)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000574446048 823732625 /nfs/dbraw/zinc/73/26/25/823732625.db2.gz YRKFTQSMYVWNOV-UHFFFAOYSA-N 1 0 395.425 4.390 20 0 GIADRO Fc1cc(CC[NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)c2c(c1)COCO2 ZINC000574451574 823733756 /nfs/dbraw/zinc/73/37/56/823733756.db2.gz BAHUUMYOVRANFT-QFIPXVFZSA-N 1 0 396.506 4.022 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(N2CCc3ccccc3C2)cc1 ZINC000064022789 823734937 /nfs/dbraw/zinc/73/49/37/823734937.db2.gz HQVFGMLKOHCPAW-FQEVSTJZSA-N 1 0 391.559 4.244 20 0 GIADRO CC[NH+](CC)CCSCC(=O)Nc1ccc(-c2cn3cccc(C)c3n2)cc1 ZINC000461878748 823735059 /nfs/dbraw/zinc/73/50/59/823735059.db2.gz VLPFTPQJHPFSSD-UHFFFAOYSA-N 1 0 396.560 4.323 20 0 GIADRO COc1ccc(-c2cnc(CCC(=O)NCCC[N@H+](C)C3CCCCC3)o2)cc1 ZINC000064025173 823735374 /nfs/dbraw/zinc/73/53/74/823735374.db2.gz PSTULEACIIAPMS-UHFFFAOYSA-N 1 0 399.535 4.054 20 0 GIADRO Cc1ccc(NC(=O)CN(C(=O)OC(C)(C)C)c2ccccc2)c(C[NH+](C)C)c1 ZINC000125881842 823736285 /nfs/dbraw/zinc/73/62/85/823736285.db2.gz CAHQFBFVYLGJME-UHFFFAOYSA-N 1 0 397.519 4.437 20 0 GIADRO O=C(NCCOc1cccc(Cl)c1Cl)c1cccc(C[NH+]2CCCC2)c1 ZINC000064027860 823736683 /nfs/dbraw/zinc/73/66/83/823736683.db2.gz ASHWJRKSFWIIDV-UHFFFAOYSA-N 1 0 393.314 4.398 20 0 GIADRO CCCNC(=O)c1ccc(NC(=O)c2cccc(C[NH+]3CCCC3)c2)cc1Cl ZINC000064027713 823736703 /nfs/dbraw/zinc/73/67/03/823736703.db2.gz GYRFPQLZHWQVHG-UHFFFAOYSA-N 1 0 399.922 4.328 20 0 GIADRO C[C@H](CNC(=O)c1ccc(N2CCc3ccccc3C2)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000064034104 823737829 /nfs/dbraw/zinc/73/78/29/823737829.db2.gz XRVLWVAPJOXWMW-VQTJNVASSA-N 1 0 391.559 4.100 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)N(C)c2ccc(-c3ccccc3)nn2)cc1)C1CC1 ZINC000125898838 823739654 /nfs/dbraw/zinc/73/96/54/823739654.db2.gz NKGPTRXXGFZHOT-UHFFFAOYSA-N 1 0 386.499 4.405 20 0 GIADRO CC[C@@H](NC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1)c1ccccc1 ZINC000413263174 823741137 /nfs/dbraw/zinc/74/11/37/823741137.db2.gz GUFWTWSULVQHPZ-DENIHFKCSA-N 1 0 395.547 4.337 20 0 GIADRO CSc1ccc([C@H](CNC(=O)[C@H](C)c2c(F)cccc2F)[NH+](C)C)cc1 ZINC000574480153 823741450 /nfs/dbraw/zinc/74/14/50/823741450.db2.gz KTSZAKAAOGLNBB-ACJLOTCBSA-N 1 0 378.488 4.209 20 0 GIADRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2ccc(N3CCc4ccccc4C3)cc2)CC1 ZINC000064057506 823741511 /nfs/dbraw/zinc/74/15/11/823741511.db2.gz HFEBCKCKEQTBGJ-UHFFFAOYSA-N 1 0 391.559 4.196 20 0 GIADRO Cc1nc(CC2CC2)sc1C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000191706842 823742056 /nfs/dbraw/zinc/74/20/56/823742056.db2.gz GQQCGNKIMOCBOU-INIZCTEOSA-N 1 0 383.561 4.359 20 0 GIADRO O=C(c1cc(-c2ccccc2C(F)(F)F)on1)N1CC[NH+](C2CCCC2)CC1 ZINC000461895390 823742341 /nfs/dbraw/zinc/74/23/41/823742341.db2.gz UFJFLXYXZGPTAH-UHFFFAOYSA-N 1 0 393.409 4.061 20 0 GIADRO Cc1cc(NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)nc(-c2cccs2)n1 ZINC000413272165 823742705 /nfs/dbraw/zinc/74/27/05/823742705.db2.gz TXKFCHOTGPVZAX-UHFFFAOYSA-N 1 0 396.482 4.153 20 0 GIADRO CC[C@H](CNC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1)CC(F)(F)F ZINC000413278442 823743659 /nfs/dbraw/zinc/74/36/59/823743659.db2.gz HVIXVHUNHKAQMO-CVEARBPZSA-N 1 0 385.474 4.490 20 0 GIADRO O=C(Nc1cccc(Cl)c1Br)N1CCC([NH+]2CCCC2)CC1 ZINC000191710172 823743664 /nfs/dbraw/zinc/74/36/64/823743664.db2.gz QFYKNCAEEOIQSJ-UHFFFAOYSA-N 1 0 386.721 4.195 20 0 GIADRO C[C@H]([NH2+][C@@H](CN1CCOCC1)c1ccccc1)c1ccc(F)cc1OC(F)F ZINC000163741383 823744065 /nfs/dbraw/zinc/74/40/65/823744065.db2.gz ZAZLOLRTMMGFGA-KXBFYZLASA-N 1 0 394.437 4.151 20 0 GIADRO CO[C@@H](c1ccc(Br)cc1)[C@@H](C)[NH2+]CCCc1cnccc1C ZINC000574485193 823744140 /nfs/dbraw/zinc/74/41/40/823744140.db2.gz HPGMYDOCZMUWKX-DNVCBOLYSA-N 1 0 377.326 4.451 20 0 GIADRO COc1cccc(C[NH2+]C[C@@](C)(Cc2ccccc2)[C@H](C)O)c1OC(F)F ZINC000191711812 823744158 /nfs/dbraw/zinc/74/41/58/823744158.db2.gz JWMCURXOWLCEOX-YCRPNKLZSA-N 1 0 379.447 4.016 20 0 GIADRO Cc1cc(C)c2c(c1)[C@@H]([NH2+]Cc1cccc(CN3CCOCC3)c1)CCCO2 ZINC000163743193 823744491 /nfs/dbraw/zinc/74/44/91/823744491.db2.gz ZMCPOSXNHPNPJE-QHCPKHFHSA-N 1 0 380.532 4.139 20 0 GIADRO COC(=O)c1ccc(C[NH2+]C2CCC(C(F)F)CC2)c(Br)c1 ZINC000574486709 823744596 /nfs/dbraw/zinc/74/45/96/823744596.db2.gz PEYPYTGAOPVWDD-UHFFFAOYSA-N 1 0 376.241 4.149 20 0 GIADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3cccc(Cl)c3Br)CC[C@@H]21 ZINC000191716352 823745047 /nfs/dbraw/zinc/74/50/47/823745047.db2.gz IGTVUNSSGBILQM-RISCZKNCSA-N 1 0 386.721 4.051 20 0 GIADRO C[C@H](O)[C@@](C)(C[NH2+]Cc1ccccc1OCc1ccccn1)Cc1ccccc1 ZINC000191719162 823745841 /nfs/dbraw/zinc/74/58/41/823745841.db2.gz GGOGQNDGCPKGMM-NBGIEHNGSA-N 1 0 390.527 4.380 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)c1cccc(-c2ccncc2)c1 ZINC000163761232 823745999 /nfs/dbraw/zinc/74/59/99/823745999.db2.gz OPOKWDAPUCLQRY-HXUWFJFHSA-N 1 0 387.527 4.432 20 0 GIADRO C[C@H]([NH2+]CCc1ccc(F)cc1Cl)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000574492479 823747190 /nfs/dbraw/zinc/74/71/90/823747190.db2.gz ZTWSNITYQCUUPH-AWEZNQCLSA-N 1 0 390.886 4.030 20 0 GIADRO COc1cc([C@@H](C)[NH2+]CC2(c3ccccc3)CCCC2)ccc1S(C)(=O)=O ZINC000125930366 823747193 /nfs/dbraw/zinc/74/71/93/823747193.db2.gz DLXZMYSNIJNMKI-QGZVFWFLSA-N 1 0 387.545 4.261 20 0 GIADRO CCc1cc(C[NH+]2CCN(Cc3c(C)noc3C)CC2)c(O)c(C(C)(C)C)c1 ZINC000064111666 823747998 /nfs/dbraw/zinc/74/79/98/823747998.db2.gz QBXAUTADUVQGCQ-UHFFFAOYSA-N 1 0 385.552 4.175 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@H]2CCCN2CC(F)(F)F)cc1 ZINC000461908567 823749422 /nfs/dbraw/zinc/74/94/22/823749422.db2.gz GHAVJNACJXJFGU-YJBOKZPZSA-N 1 0 383.458 4.026 20 0 GIADRO Cc1ccc([C@H]2C[C@H](C)[N@@H+](Cc3nc4c(cnn4-c4ccccc4)c(=O)[nH]3)C2)cc1 ZINC000574501587 823750086 /nfs/dbraw/zinc/75/00/86/823750086.db2.gz YZFZFWMZLPIMJQ-HKUYNNGSSA-N 1 0 399.498 4.208 20 0 GIADRO CC(C)(C)[NH+]1CCC(NC(=O)Nc2cccc(Cl)c2Br)CC1 ZINC000191732921 823750364 /nfs/dbraw/zinc/75/03/64/823750364.db2.gz BPHGQWZWRODLFW-UHFFFAOYSA-N 1 0 388.737 4.487 20 0 GIADRO O=C(Nc1cccc(Cl)c1Br)NC1CC[NH+](CC2CC2)CC1 ZINC000191736245 823751442 /nfs/dbraw/zinc/75/14/42/823751442.db2.gz CQVJDEYXVMGOCD-UHFFFAOYSA-N 1 0 386.721 4.098 20 0 GIADRO COc1cc(C[NH2+]CCc2cc3ccccc3o2)cc(OC)c1OCC(F)F ZINC000574508456 823751525 /nfs/dbraw/zinc/75/15/25/823751525.db2.gz UVJRPQHMCIGIEL-UHFFFAOYSA-N 1 0 391.414 4.426 20 0 GIADRO O=C(NCc1ccc(Sc2ccccc2)cc1)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000125955592 823752725 /nfs/dbraw/zinc/75/27/25/823752725.db2.gz ZOCQNNOEXCGTLN-QFIPXVFZSA-N 1 0 396.556 4.097 20 0 GIADRO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)Nc1nc(-c2ccccc2OC(F)F)cs1 ZINC000574516997 823754151 /nfs/dbraw/zinc/75/41/51/823754151.db2.gz MKJGNGPNXFFZHK-DGCLKSJQSA-N 1 0 381.448 4.258 20 0 GIADRO C[C@H](NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1cccc(F)c1F ZINC000125962501 823754465 /nfs/dbraw/zinc/75/44/65/823754465.db2.gz DPOLIDVPLLCGEQ-AWEZNQCLSA-N 1 0 391.437 4.129 20 0 GIADRO Cc1noc([C@@H]2CCC[N@H+](Cc3ccc(OCc4ccc(F)cc4)cc3)C2)n1 ZINC000064143278 823754743 /nfs/dbraw/zinc/75/47/43/823754743.db2.gz KSCCDWCUZLRFMA-LJQANCHMSA-N 1 0 381.451 4.476 20 0 GIADRO CC(C)[C@@H](C(=O)N(C)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)[C@H](C)[NH3+] ZINC000574521598 823754788 /nfs/dbraw/zinc/75/47/88/823754788.db2.gz FJXILVDNEXMIEI-SCLBCKFNSA-N 1 0 395.425 4.475 20 0 GIADRO C[C@H](C(=O)NCCCC[NH+]1CCC(C)CC1)c1cccc(Br)c1 ZINC000461921165 823756034 /nfs/dbraw/zinc/75/60/34/823756034.db2.gz WMEXHMMMJWWBMO-INIZCTEOSA-N 1 0 381.358 4.181 20 0 GIADRO COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H](C)C(C)(C)c2ccccc2)c(OC)c1 ZINC000163885647 823757191 /nfs/dbraw/zinc/75/71/91/823757191.db2.gz OYUDDCBEMORTME-SJORKVTESA-N 1 0 384.520 4.377 20 0 GIADRO COc1cc(C[N@H+](C)Cc2cccc3c2N(C(=O)OC(C)(C)C)CC3)ccc1O ZINC000125974364 823757158 /nfs/dbraw/zinc/75/71/58/823757158.db2.gz GDUQFCKEMFYCTD-UHFFFAOYSA-N 1 0 398.503 4.330 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+]1CC(C)(C)[C@H]2CCC[C@@H]21 ZINC000574536956 823757977 /nfs/dbraw/zinc/75/79/77/823757977.db2.gz XGCVMXPXQLWMQL-PMACEKPBSA-N 1 0 380.536 4.328 20 0 GIADRO C[C@H](C(=O)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1)c1cccc(Br)c1 ZINC000461925095 823758692 /nfs/dbraw/zinc/75/86/92/823758692.db2.gz ZWDAABDVCBVGSH-RCJHGTSTSA-N 1 0 393.369 4.416 20 0 GIADRO COc1cccc(CC[NH2+][C@H](C)CC(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000125980088 823758870 /nfs/dbraw/zinc/75/88/70/823758870.db2.gz VHKFHHXXMSVCDY-CQSZACIVSA-N 1 0 380.410 4.263 20 0 GIADRO O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)N[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000163912684 823759831 /nfs/dbraw/zinc/75/98/31/823759831.db2.gz ZTFADGQAPQBNPM-VJBWXMMDSA-N 1 0 393.531 4.043 20 0 GIADRO CC[C@H](CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)CC(F)(F)F ZINC000413370057 823761568 /nfs/dbraw/zinc/76/15/68/823761568.db2.gz VKVLCAXTMFKZQU-XYJFISCASA-N 1 0 385.474 4.317 20 0 GIADRO C[C@H]([NH3+])c1ccc(CNC(=O)N2CCn3c(cc4ccc(Cl)cc43)C2)cc1 ZINC000574549154 823761808 /nfs/dbraw/zinc/76/18/08/823761808.db2.gz NWBHIESBZJBBSG-AWEZNQCLSA-N 1 0 382.895 4.040 20 0 GIADRO CCOc1cc2[nH+]ccc(N3CC[C@](CO)(c4ccccc4)C3)c2cc1OCC ZINC000461930457 823762032 /nfs/dbraw/zinc/76/20/32/823762032.db2.gz GNSOGOSCZNBENY-DEOSSOPVSA-N 1 0 392.499 4.173 20 0 GIADRO CS(=O)(=O)Cc1ccccc1C[NH2+][C@H](Cc1ccccc1F)c1ccccc1 ZINC000191772582 823762901 /nfs/dbraw/zinc/76/29/01/823762901.db2.gz PLFJRSYUMJTBEX-HSZRJFAPSA-N 1 0 397.515 4.444 20 0 GIADRO CCCN(CC[NH+](CC)CC)C(=O)N[C@H](c1cccc(F)c1)c1ccccn1 ZINC000461939154 823765949 /nfs/dbraw/zinc/76/59/49/823765949.db2.gz FHKJWXFVJMWMTD-OAQYLSRUSA-N 1 0 386.515 4.074 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)[C@@](C)(OC)C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000461939489 823766197 /nfs/dbraw/zinc/76/61/97/823766197.db2.gz XHDMVOQEQIBDNF-HKUYNNGSSA-N 1 0 386.458 4.020 20 0 GIADRO C[C@@H]([NH2+]C1CCN(Cc2ccccn2)CC1)c1ccc(Br)cc1F ZINC000126025683 823769469 /nfs/dbraw/zinc/76/94/69/823769469.db2.gz OUXHTFGWGFFZJB-CQSZACIVSA-N 1 0 392.316 4.298 20 0 GIADRO CCCOc1ccc(C(=O)N2CC[C@@H](C[NH+](C)C)C2)c(OCc2ccccc2)c1 ZINC000191794139 823770023 /nfs/dbraw/zinc/77/00/23/823770023.db2.gz FCVAJGFNBMVDIL-FQEVSTJZSA-N 1 0 396.531 4.078 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1cc(-c2ccccc2)ns1 ZINC000461953761 823770121 /nfs/dbraw/zinc/77/01/21/823770121.db2.gz BVCLKCGDBGURMI-UHFFFAOYSA-N 1 0 383.492 4.153 20 0 GIADRO Cc1ccc2nc(C[N@@H+](C)CCCc3cc(-c4ccc(F)cc4)n(C)n3)cn2c1 ZINC000574576638 823770624 /nfs/dbraw/zinc/77/06/24/823770624.db2.gz CQZDJNGYTKOJKT-UHFFFAOYSA-N 1 0 391.494 4.247 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@@H](C)c2cnc(C)nc2C)ccc1OCc1ccncc1 ZINC000164048395 823773875 /nfs/dbraw/zinc/77/38/75/823773875.db2.gz FLZYXLJCWBZAFH-CVEARBPZSA-N 1 0 392.503 4.488 20 0 GIADRO C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1ccccc1-n1ccnn1 ZINC000574591122 823774015 /nfs/dbraw/zinc/77/40/15/823774015.db2.gz HPDXVISSQUVTMR-YHJVDBJQSA-N 1 0 386.858 4.241 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+][C@@H](CO)C[C@H](O)C(C)(C)C ZINC000574589827 823774047 /nfs/dbraw/zinc/77/40/47/823774047.db2.gz AULSWHBFGOQMJA-VUCTXSBTSA-N 1 0 380.529 4.066 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)N[C@H](C)COc2c(C)cccc2C)c1 ZINC000064227576 823775137 /nfs/dbraw/zinc/77/51/37/823775137.db2.gz PQHLMPLMOUAEAQ-LJQANCHMSA-N 1 0 383.536 4.022 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)N(C)Cc2ccc(C(F)(F)F)cc2)c1 ZINC000064229876 823775731 /nfs/dbraw/zinc/77/57/31/823775731.db2.gz ZTZQAMLCIQDFAL-UHFFFAOYSA-N 1 0 393.453 4.499 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)N(C)CCCOc2ccccc2C)c1 ZINC000064230006 823776319 /nfs/dbraw/zinc/77/63/19/823776319.db2.gz BMGGUMAYKGRQDS-UHFFFAOYSA-N 1 0 383.536 4.057 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)N2CCC[C@H]2Cc2cccc(OC)c2)c1 ZINC000064230005 823776357 /nfs/dbraw/zinc/77/63/57/823776357.db2.gz QGOLZQNMJVQIAI-QFIPXVFZSA-N 1 0 395.547 4.064 20 0 GIADRO Cc1cc([C@@](C)(O)C[NH2+][C@@H](C)CC(=O)Nc2ccccc2C(F)(F)F)c(C)o1 ZINC000164098062 823777450 /nfs/dbraw/zinc/77/74/50/823777450.db2.gz PQMPVCHBGBSOKC-BUXKBTBVSA-N 1 0 398.425 4.130 20 0 GIADRO Cc1ccc([C@H](CNC(=O)N(C)Cc2ccc(N(C)C)cc2)[NH+]2CCCC2)cc1 ZINC000064237542 823778351 /nfs/dbraw/zinc/77/83/51/823778351.db2.gz RSQKNMLWAWGKPD-QHCPKHFHSA-N 1 0 394.563 4.040 20 0 GIADRO COc1ccc(C[NH2+][C@@H]2CCO[C@@H](c3cccs3)C2)c(Br)c1O ZINC000574608823 823779310 /nfs/dbraw/zinc/77/93/10/823779310.db2.gz LTFFZXXXRAWRPV-TZMCWYRMSA-N 1 0 398.322 4.235 20 0 GIADRO COC(=O)c1ccc(C[N@H+](C)Cc2ccc(OCc3ccccn3)cc2)cc1 ZINC000126083782 823782667 /nfs/dbraw/zinc/78/26/67/823782667.db2.gz BBXUKACXIJISQZ-UHFFFAOYSA-N 1 0 376.456 4.079 20 0 GIADRO Cc1nc(C(F)(F)F)sc1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000461985754 823783351 /nfs/dbraw/zinc/78/33/51/823783351.db2.gz RDMYBGVMXRHSHF-HNNXBMFYSA-N 1 0 397.466 4.255 20 0 GIADRO C[N@H+](CCCCS(C)(=O)=O)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000164174299 823783612 /nfs/dbraw/zinc/78/36/12/823783612.db2.gz NAPAWDJCVHTKSX-LJQANCHMSA-N 1 0 383.916 4.325 20 0 GIADRO COc1ccccc1[C@@H](CN[C@@H](c1ncc[nH]1)c1ccccc1)[NH+]1CCCCC1 ZINC000126091976 823784997 /nfs/dbraw/zinc/78/49/97/823784997.db2.gz KZPGRUYDURWZHF-FYYLOGMGSA-N 1 0 390.531 4.325 20 0 GIADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3csc(-c4ccc(Cl)c(Cl)c4)n3)C[C@H]21 ZINC000574630689 823786239 /nfs/dbraw/zinc/78/62/39/823786239.db2.gz NEDJLNKKXJXQFO-YWPYICTPSA-N 1 0 396.343 4.316 20 0 GIADRO CC[C@@H]1c2ccccc2CCN1C(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000164212740 823786596 /nfs/dbraw/zinc/78/65/96/823786596.db2.gz OVLGKKYHVQRETM-XMMPIXPASA-N 1 0 392.543 4.041 20 0 GIADRO C[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccc(Cl)cc1Cl ZINC000574633590 823786892 /nfs/dbraw/zinc/78/68/92/823786892.db2.gz WPNQSVPKUQGFBD-GOEBONIOSA-N 1 0 392.330 4.478 20 0 GIADRO NC(=O)N1CCC([NH2+]Cc2ccc(Oc3cccc(Cl)c3Cl)cc2)CC1 ZINC000164222131 823787083 /nfs/dbraw/zinc/78/70/83/823787083.db2.gz HFTFFGFLNVLKSO-UHFFFAOYSA-N 1 0 394.302 4.418 20 0 GIADRO CCC(CC)(Cc1nc2ccccc2s1)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000574639401 823788174 /nfs/dbraw/zinc/78/81/74/823788174.db2.gz AAXQQXYKPYILKL-ROUUACIJSA-N 1 0 399.604 4.493 20 0 GIADRO Cc1nc(C(C)C)sc1[C@@H](C)[NH2+][C@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000164236228 823788594 /nfs/dbraw/zinc/78/85/94/823788594.db2.gz SLQMORQKLMVCDT-CHWSQXEVSA-N 1 0 381.567 4.358 20 0 GIADRO CCOc1ccc(/C=C(/C#N)C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)cc1 ZINC000064310757 823788916 /nfs/dbraw/zinc/78/89/16/823788916.db2.gz ICLIARLXNGHWCU-XLNRJJMWSA-N 1 0 395.547 4.107 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)Cc2csc(-c3ccc(Cl)s3)n2)CC1 ZINC000064310420 823788987 /nfs/dbraw/zinc/78/89/87/823788987.db2.gz LNTPVLIQWZBPPK-UHFFFAOYSA-N 1 0 397.997 4.400 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Nc1ccccc1OC(C)C ZINC000126105878 823789092 /nfs/dbraw/zinc/78/90/92/823789092.db2.gz PBRUAZDJPZHJQU-UHFFFAOYSA-N 1 0 382.508 4.178 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCC=C(F)C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000462000396 823789669 /nfs/dbraw/zinc/78/96/69/823789669.db2.gz BARZQMKHRLNDGM-CRAIPNDOSA-N 1 0 399.432 4.357 20 0 GIADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CCSc1nc2ccccc2s1 ZINC000064311949 823789631 /nfs/dbraw/zinc/78/96/31/823789631.db2.gz OGLARYXQRNZEQU-CABCVRRESA-N 1 0 377.579 4.015 20 0 GIADRO CCN(Cc1ccccc1)C(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000064316861 823790390 /nfs/dbraw/zinc/79/03/90/823790390.db2.gz LOPLNXYZHBVQAZ-NRFANRHFSA-N 1 0 390.449 4.490 20 0 GIADRO CCOc1cccc(C[NH2+][C@@H](C)CC(=O)Nc2cc(Cl)ccc2OC)c1 ZINC000126113680 823791288 /nfs/dbraw/zinc/79/12/88/823791288.db2.gz NWEHQCDTGWMFCW-AWEZNQCLSA-N 1 0 376.884 4.254 20 0 GIADRO C[C@@H](CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)CC(F)(F)F ZINC000413526037 823792261 /nfs/dbraw/zinc/79/22/61/823792261.db2.gz BAYAQBIVZFZCJQ-WBVHZDCISA-N 1 0 385.474 4.175 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CN[C@@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000574657394 823792754 /nfs/dbraw/zinc/79/27/54/823792754.db2.gz MTXYSFNMEGSRIS-GAJHUEQPSA-N 1 0 393.510 4.197 20 0 GIADRO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCc3nccn3CCc3ccccc3)CC2)C1 ZINC000164278355 823792896 /nfs/dbraw/zinc/79/28/96/823792896.db2.gz PKOAPRYAKOHPKC-NFBKMPQASA-N 1 0 380.580 4.259 20 0 GIADRO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H](CCSC)c1nnc2ccccn21 ZINC000164298806 823794313 /nfs/dbraw/zinc/79/43/13/823794313.db2.gz JODRGPOIILVZQE-OALUTQOASA-N 1 0 382.533 4.199 20 0 GIADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000462014567 823795318 /nfs/dbraw/zinc/79/53/18/823795318.db2.gz ZRWDSPVZYQCLFL-HNNXBMFYSA-N 1 0 384.362 4.098 20 0 GIADRO CC(C)(C)c1csc(CCNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)n1 ZINC000462015875 823795826 /nfs/dbraw/zinc/79/58/26/823795826.db2.gz LLHWEMRISHWSQH-SFHVURJKSA-N 1 0 385.577 4.154 20 0 GIADRO COCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)cc1OC ZINC000191855675 823796950 /nfs/dbraw/zinc/79/69/50/823796950.db2.gz PZNHRNHSCAOOLN-MONBJTKQSA-N 1 0 385.504 4.149 20 0 GIADRO [NH3+][C@H]1CCCCCC[C@H]1C(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1F ZINC000164347786 823797082 /nfs/dbraw/zinc/79/70/82/823797082.db2.gz FQTCABUVDBWKJL-AEFFLSMTSA-N 1 0 399.514 4.047 20 0 GIADRO CC[C@@H](NC(=O)CC[NH+]1CCN(c2ccccc2)CC1)c1cccc(Cl)c1 ZINC000462023100 823798107 /nfs/dbraw/zinc/79/81/07/823798107.db2.gz NYHRKTAIIGEARW-OAQYLSRUSA-N 1 0 385.939 4.120 20 0 GIADRO Cc1c(O)ccc2c(C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C(C)C)cc(=O)oc12 ZINC000064350350 823799089 /nfs/dbraw/zinc/79/90/89/823799089.db2.gz PMAFNRPEKJFUPZ-UHFFFAOYSA-N 1 0 382.416 4.126 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)c1c[nH]c2cc(Cl)ccc12)[NH+]1CCCC1 ZINC000064354220 823799613 /nfs/dbraw/zinc/79/96/13/823799613.db2.gz VGEMGVFRMLKAPD-HXUWFJFHSA-N 1 0 397.906 4.397 20 0 GIADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)c1 ZINC000164407103 823801168 /nfs/dbraw/zinc/80/11/68/823801168.db2.gz ZVUYSHANQAMMHM-QVKFZJNVSA-N 1 0 390.524 4.316 20 0 GIADRO C[C@@H](C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)c1cccc(Br)c1 ZINC000462028275 823801688 /nfs/dbraw/zinc/80/16/88/823801688.db2.gz CXHHKDWBXICPMR-CRAIPNDOSA-N 1 0 379.342 4.030 20 0 GIADRO CC(C)(C)n1cc(CNc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)cn1 ZINC000126160637 823802561 /nfs/dbraw/zinc/80/25/61/823802561.db2.gz MMQIDYUEPUKDGX-UHFFFAOYSA-N 1 0 383.540 4.065 20 0 GIADRO CC[NH+]1CCN(c2cccc(NCc3ccc4c(c3)COC(C)(C)O4)c2)CC1 ZINC000191884756 823803668 /nfs/dbraw/zinc/80/36/68/823803668.db2.gz PZCMORUCORFAAB-UHFFFAOYSA-N 1 0 381.520 4.086 20 0 GIADRO CC[C@@H]([NH2+]C[C@H](O)Cc1cccc(Cl)c1)c1nc(C(F)(F)F)cs1 ZINC000574700019 823803810 /nfs/dbraw/zinc/80/38/10/823803810.db2.gz VHLCPTJDJXCVPG-CHWSQXEVSA-N 1 0 378.847 4.460 20 0 GIADRO S=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)Nc1ccc2c(c1)CCC2 ZINC000064377933 823804178 /nfs/dbraw/zinc/80/41/78/823804178.db2.gz XJMAWRUKGKMDHW-INIZCTEOSA-N 1 0 385.602 4.435 20 0 GIADRO CC[NH+]1CCN(c2cccc(NCc3c(C4CC4)nc4sccn34)c2)CC1 ZINC000191886014 823804169 /nfs/dbraw/zinc/80/41/69/823804169.db2.gz PJUNMWUHLRUFTL-UHFFFAOYSA-N 1 0 381.549 4.027 20 0 GIADRO O=C(c1cc(-c2ccccc2C(F)(F)F)on1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000462033839 823804578 /nfs/dbraw/zinc/80/45/78/823804578.db2.gz UMYNCOHXCNXCAP-CQSZACIVSA-N 1 0 393.409 4.061 20 0 GIADRO O=C(c1cc(-c2ccccc2C(F)(F)F)on1)N1CCC([NH+]2CCCC2)CC1 ZINC000462036110 823805510 /nfs/dbraw/zinc/80/55/10/823805510.db2.gz DUYYKDSVXVLRIS-UHFFFAOYSA-N 1 0 393.409 4.061 20 0 GIADRO C[C@@H](CC(=O)N1CCC([NH+]2CCCC2)CC1)c1ccc(F)c(Br)c1 ZINC000462036889 823805858 /nfs/dbraw/zinc/80/58/58/823805858.db2.gz HNFRHKVEBNWGMQ-AWEZNQCLSA-N 1 0 397.332 4.169 20 0 GIADRO C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+][C@@H]1CCc2ccccc2C1 ZINC000462039352 823807214 /nfs/dbraw/zinc/80/72/14/823807214.db2.gz IMCIYUQQLQCBAH-XMSQKQJNSA-N 1 0 377.532 4.151 20 0 GIADRO CC[C@H](C)[NH2+][C@H](CNC(=O)c1c(C)nn(-c2ccc(F)cc2)c1C)c1ccco1 ZINC000574715956 823807216 /nfs/dbraw/zinc/80/72/16/823807216.db2.gz LVIYRCVIFMNHFN-IFXJQAMLSA-N 1 0 398.482 4.080 20 0 GIADRO COc1cccc2c1OC[C@@H]([NH2+][C@H](C)c1sc(-c3cccnc3)nc1C)C2 ZINC000164547430 823808272 /nfs/dbraw/zinc/80/82/72/823808272.db2.gz FEUKJPWEYFJZMV-DYVFJYSZSA-N 1 0 381.501 4.176 20 0 GIADRO CC[NH+](CC)CCSCC(=O)N1CCCCC[C@H]1c1ccc(OC)cc1 ZINC000462045492 823810292 /nfs/dbraw/zinc/81/02/92/823810292.db2.gz CYXDWFCOUFYBFU-FQEVSTJZSA-N 1 0 378.582 4.214 20 0 GIADRO Cc1c2cc(Br)ccc2oc1C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000164605769 823811745 /nfs/dbraw/zinc/81/17/45/823811745.db2.gz COSFEHYTMUSKTE-XJKSGUPXSA-N 1 0 391.309 4.060 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)NCc1cccc(Br)c1Cl ZINC000413655546 823811698 /nfs/dbraw/zinc/81/16/98/823811698.db2.gz NHOWAFYXGUMTTO-UHFFFAOYSA-N 1 0 390.753 4.022 20 0 GIADRO CN(C(=O)N[C@H](c1c(Cl)cccc1Cl)C1CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000462050835 823812769 /nfs/dbraw/zinc/81/27/69/823812769.db2.gz BVMLIJAMVNZKCE-KDOFPFPSSA-N 1 0 382.335 4.323 20 0 GIADRO CN(CC1CC[NH+](C)CC1)C(=O)N[C@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000462051373 823813138 /nfs/dbraw/zinc/81/31/38/823813138.db2.gz NISZOTJOCPMWOT-SFHVURJKSA-N 1 0 384.351 4.428 20 0 GIADRO Cc1ccc([C@@H](C[NH2+][C@H]2C[C@H](C)Sc3sccc32)N2CCOCC2)o1 ZINC000164636614 823814158 /nfs/dbraw/zinc/81/41/58/823814158.db2.gz JSSJYJWOSHCEAX-BHYGNILZSA-N 1 0 378.563 4.238 20 0 GIADRO Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+]C[C@H](O)COCc2ccccc2Cl)cc1 ZINC000574750604 823818095 /nfs/dbraw/zinc/81/80/95/823818095.db2.gz ZOHSQCZPUVIUJP-BVSLBCMMSA-N 1 0 389.923 4.036 20 0 GIADRO COc1ccc(NC(=O)C[C@@H](C)[NH2+]CC(C)(C)c2ccc(F)cc2)c(OC)c1 ZINC000164773868 823819004 /nfs/dbraw/zinc/81/90/04/823819004.db2.gz CLNFCBKOTSKHIO-OAHLLOKOSA-N 1 0 388.483 4.127 20 0 GIADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000064441597 823819394 /nfs/dbraw/zinc/81/93/94/823819394.db2.gz LWTTVFXWEHKTLT-GOSISDBHSA-N 1 0 381.520 4.179 20 0 GIADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000064441508 823819519 /nfs/dbraw/zinc/81/95/19/823819519.db2.gz CUPSBYOQYMSFDF-MRXNPFEDSA-N 1 0 377.529 4.274 20 0 GIADRO CC(C)(C)c1ccncc1CNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000413701526 823821126 /nfs/dbraw/zinc/82/11/26/823821126.db2.gz TVAOQPAWASYTLG-UHFFFAOYSA-N 1 0 386.584 4.177 20 0 GIADRO CCc1c(NC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)cnn1C(CC)CC ZINC000574767742 823821893 /nfs/dbraw/zinc/82/18/93/823821893.db2.gz AHUFPQFUWZXQJA-INIZCTEOSA-N 1 0 375.561 4.145 20 0 GIADRO O=C(C[NH2+][C@@H]1CCO[C@H]1c1ccccc1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000191953189 823822484 /nfs/dbraw/zinc/82/24/84/823822484.db2.gz LJTMCEWAHHYJFW-AEFFLSMTSA-N 1 0 398.812 4.417 20 0 GIADRO C[C@H]1CN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C[C@H](c2ccsc2)O1 ZINC000164861144 823823049 /nfs/dbraw/zinc/82/30/49/823823049.db2.gz FUUCECHGEJGREP-GHTZIAJQSA-N 1 0 398.572 4.339 20 0 GIADRO O=C(c1cccc(C[NH+]2CCCCC2)c1)N1CCSC[C@H]1c1nccs1 ZINC000413711722 823823602 /nfs/dbraw/zinc/82/36/02/823823602.db2.gz JZOKKWUTGXPEFE-SFHVURJKSA-N 1 0 387.574 4.059 20 0 GIADRO COc1cc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cc(Cl)c1OCC(C)C ZINC000574778369 823824012 /nfs/dbraw/zinc/82/40/12/823824012.db2.gz HXBXBWHYMWNWGZ-WBVHZDCISA-N 1 0 394.943 4.082 20 0 GIADRO C[NH+]1CCC2(CCCN2C(=O)N[C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000413718309 823824609 /nfs/dbraw/zinc/82/46/09/823824609.db2.gz PTOVGGUGTUFGMO-PKOBYXMFSA-N 1 0 375.944 4.246 20 0 GIADRO C[C@@H]1CCCC[C@H]1OCC[N@@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000064481572 823827780 /nfs/dbraw/zinc/82/77/80/823827780.db2.gz WIZGBNORLUCUMD-YLJYHZDGSA-N 1 0 378.944 4.083 20 0 GIADRO C[C@H]([NH2+]C[C@H]1CCCN(C)[C@@H]1c1cccs1)c1cccc(N2CCOC2=O)c1 ZINC000164978117 823827971 /nfs/dbraw/zinc/82/79/71/823827971.db2.gz OIWFQZYYISMIDT-CDXJDZJCSA-N 1 0 399.560 4.438 20 0 GIADRO C[C@H](NC(=O)N1CCC([N@@H+]2CCC[C@H]2C)CC1)c1cccc(OC(F)F)c1 ZINC000126281712 823828584 /nfs/dbraw/zinc/82/85/84/823828584.db2.gz HKCIRZOGKSPART-CABCVRRESA-N 1 0 381.467 4.007 20 0 GIADRO COc1cccc([C@@H](CNC(=O)c2cscc2-c2ccccc2)[NH+](C)C)c1 ZINC000574798376 823829449 /nfs/dbraw/zinc/82/94/49/823829449.db2.gz YSEVOFDTWOEHRH-OAQYLSRUSA-N 1 0 380.513 4.456 20 0 GIADRO C[C@H]([NH2+]C[C@@H]1CCCN(C)[C@@H]1c1cccs1)c1ccc(-n2cncn2)cc1 ZINC000165012524 823829762 /nfs/dbraw/zinc/82/97/62/823829762.db2.gz ANBFDSPWNYASPR-MDKPJZGXSA-N 1 0 381.549 4.063 20 0 GIADRO C[C@H](NC(=O)N1CCC([N@@H+]2CCC[C@H]2C)CC1)c1ccc(OC(F)F)cc1 ZINC000126284354 823829776 /nfs/dbraw/zinc/82/97/76/823829776.db2.gz KQDONDZGIGHWAY-CABCVRRESA-N 1 0 381.467 4.007 20 0 GIADRO C[C@@H](C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1)c1cc2ccccc2o1 ZINC000126285221 823830074 /nfs/dbraw/zinc/83/00/74/823830074.db2.gz GSNDBDBYEYIVEA-QGZVFWFLSA-N 1 0 377.488 4.306 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1ccc(OC(C)(C)C)cc1 ZINC000126289442 823831265 /nfs/dbraw/zinc/83/12/65/823831265.db2.gz DCGPARRJQQUKJD-UHFFFAOYSA-N 1 0 381.520 4.248 20 0 GIADRO CCCC[C@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)NC)c1)c1ccc(OC)cc1 ZINC000165046769 823831822 /nfs/dbraw/zinc/83/18/22/823831822.db2.gz OJUNCDPKBBMCRV-KKSFZXQISA-N 1 0 390.549 4.185 20 0 GIADRO Brc1cccc(-c2cnc(C[N@@H+]3CC[C@H](c4cccnc4)C3)o2)c1 ZINC000574808044 823832610 /nfs/dbraw/zinc/83/26/10/823832610.db2.gz PWVUDVIYWLZCQM-INIZCTEOSA-N 1 0 384.277 4.489 20 0 GIADRO Cc1nc2c(s1)[C@@H]([NH2+][C@H]1CCCN(c3ccccc3Cl)C1=O)CCC2 ZINC000165065540 823832895 /nfs/dbraw/zinc/83/28/95/823832895.db2.gz GMHQGOBQCREWBO-HOTGVXAUSA-N 1 0 375.925 4.268 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1cccc(F)c1 ZINC000064519095 823833854 /nfs/dbraw/zinc/83/38/54/823833854.db2.gz ZOQNVIOQVUWGEC-UHFFFAOYSA-N 1 0 383.389 4.440 20 0 GIADRO CCO[C@@H](C(=O)Nc1ccccc1N1CCC(C[NH+](C)C)CC1)c1ccccc1 ZINC000413754525 823834486 /nfs/dbraw/zinc/83/44/86/823834486.db2.gz HAUBEDXWKASMQI-HSZRJFAPSA-N 1 0 395.547 4.181 20 0 GIADRO COc1cccc(COc2cccc(NC(=O)NCC3CC[NH+](C)CC3)c2C)c1 ZINC000165120692 823835145 /nfs/dbraw/zinc/83/51/45/823835145.db2.gz GLWCTYWUIJAFRU-UHFFFAOYSA-N 1 0 397.519 4.046 20 0 GIADRO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CCc1cccc(C(=O)N(C)C)c1 ZINC000165129217 823835680 /nfs/dbraw/zinc/83/56/80/823835680.db2.gz OWPCIYAUQOOYKR-CVEARBPZSA-N 1 0 381.545 4.322 20 0 GIADRO Clc1ccc([C@@H]2OCC[C@H]2[NH2+]CCCc2nc(-c3ccccc3)no2)cc1 ZINC000192026747 823836736 /nfs/dbraw/zinc/83/67/36/823836736.db2.gz XJGRKFNJBMMFRT-QUCCMNQESA-N 1 0 383.879 4.442 20 0 GIADRO Fc1cc(C[NH2+][C@H]2CCCOc3ccc(Cl)cc32)ccc1N1CCOCC1 ZINC000165170471 823837344 /nfs/dbraw/zinc/83/73/44/823837344.db2.gz FKFDQQXOHBWZGG-IBGZPJMESA-N 1 0 390.886 4.319 20 0 GIADRO Cc1cc(OC(F)F)c(C(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000126317838 823838252 /nfs/dbraw/zinc/83/82/52/823838252.db2.gz KJJOPZACUKLDGB-UHFFFAOYSA-N 1 0 395.475 4.042 20 0 GIADRO C[C@@H]([NH2+]C1CCN(Cc2ccccc2Br)CC1)c1cccc(O)c1 ZINC000192035094 823838930 /nfs/dbraw/zinc/83/89/30/823838930.db2.gz UZNRWTYSXQTXFM-OAHLLOKOSA-N 1 0 389.337 4.470 20 0 GIADRO Cc1nn(-c2cc[nH+]cc2)cc1[C@H]1Nc2ccc(Cl)cc2C(=O)N1CC1CC1 ZINC000574841044 823839636 /nfs/dbraw/zinc/83/96/36/823839636.db2.gz YLYHFIGPDFRIBZ-FQEVSTJZSA-N 1 0 393.878 4.206 20 0 GIADRO Cc1ccc(NC(=O)C[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)cc2)c(Cl)c1 ZINC000192038441 823840384 /nfs/dbraw/zinc/84/03/84/823840384.db2.gz GYNJKDCDIZWZKG-HKUYNNGSSA-N 1 0 379.287 4.360 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)C[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000192038393 823840468 /nfs/dbraw/zinc/84/04/68/823840468.db2.gz WTRUUWWUZVBBAD-KXBFYZLASA-N 1 0 395.286 4.060 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)Nc2cccc(-c3noc(C)n3)c2)c1 ZINC000064544673 823840610 /nfs/dbraw/zinc/84/06/10/823840610.db2.gz WDDRNZDLHRFWNP-UHFFFAOYSA-N 1 0 393.491 4.209 20 0 GIADRO COC(=O)c1cc(C[NH2+][C@H](C)c2ccccc2OCc2ccccc2)cn1C ZINC000574844329 823840962 /nfs/dbraw/zinc/84/09/62/823840962.db2.gz GGWVNJNHIWPSKC-QGZVFWFLSA-N 1 0 378.472 4.242 20 0 GIADRO CC[N@@H+]1CCC[C@H]1CN(Cc1cc(Br)cs1)Cc1ccncc1 ZINC000574847176 823841575 /nfs/dbraw/zinc/84/15/75/823841575.db2.gz WPBQRLJOJCKMOJ-KRWDZBQOSA-N 1 0 394.382 4.392 20 0 GIADRO C[C@H]([C@H]1CCC[N@@H+](C2CCC2)C1)N1C(=O)N[C@@H](c2ccc3ccccc3c2)C1=O ZINC000574852737 823843599 /nfs/dbraw/zinc/84/35/99/823843599.db2.gz YXZPFMVPMMNRIZ-BUVFEPMLSA-N 1 0 391.515 4.086 20 0 GIADRO Cc1cc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)ccc1Oc1cccnc1 ZINC000165344804 823844273 /nfs/dbraw/zinc/84/42/73/823844273.db2.gz ZSCPAJXYQYTXJY-FXAWDEMLSA-N 1 0 380.492 4.130 20 0 GIADRO Cc1ccc(NC(=O)NC[C@@H]2CCCN(Cc3ccn(C4CCCC4)n3)C2)cc1 ZINC000574856453 823844578 /nfs/dbraw/zinc/84/45/78/823844578.db2.gz CWEGBYCQTHTJDM-IBGZPJMESA-N 1 0 395.551 4.340 20 0 GIADRO C[C@H](CC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1ccc(F)c(Br)c1 ZINC000462147609 823844745 /nfs/dbraw/zinc/84/47/45/823844745.db2.gz VUUNMOFOXMEFLF-HUUCEWRRSA-N 1 0 397.332 4.026 20 0 GIADRO Cc1c(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cccc1-c1ccccn1 ZINC000165393724 823846978 /nfs/dbraw/zinc/84/69/78/823846978.db2.gz MQPSLFRGYMQSHH-NRFANRHFSA-N 1 0 375.472 4.217 20 0 GIADRO O=C(Nc1ccc(Oc2ccc(Cl)cc2)nc1)NC1CC[NH+](C2CC2)CC1 ZINC000064565049 823847591 /nfs/dbraw/zinc/84/75/91/823847591.db2.gz ZOFRVHMHPVMXFJ-UHFFFAOYSA-N 1 0 386.883 4.276 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@H](O)c1ccc(Cl)cc1 ZINC000126359074 823848054 /nfs/dbraw/zinc/84/80/54/823848054.db2.gz NHIRDKJEGHNIFO-PXAZEXFGSA-N 1 0 397.302 4.042 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)CC1CCC(C(F)(F)F)CC1 ZINC000462157389 823848114 /nfs/dbraw/zinc/84/81/14/823848114.db2.gz GQSRSFSRILMORM-JVGQSUMCSA-N 1 0 382.470 4.382 20 0 GIADRO CC[C@@H](C(=O)NC1(c2nc(-c3ccccc3F)c(C)s2)CCC1)[NH+](C)C ZINC000413839670 823848664 /nfs/dbraw/zinc/84/86/64/823848664.db2.gz NPWHKEJRAGGBLL-INIZCTEOSA-N 1 0 375.513 4.093 20 0 GIADRO C[C@H](NC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1)c1noc(Cc2ccccc2)n1 ZINC000165445606 823849491 /nfs/dbraw/zinc/84/94/91/823849491.db2.gz LAYQXDWYUGGDQC-WFXMLNOXSA-N 1 0 382.552 4.354 20 0 GIADRO O=C(NCC[NH2+][C@@H]1CCCOc2c(Cl)cccc21)c1ccccc1Cl ZINC000165502333 823850932 /nfs/dbraw/zinc/85/09/32/823850932.db2.gz VCCYKHAMMWTTFP-QGZVFWFLSA-N 1 0 379.287 4.227 20 0 GIADRO C[C@@H]([NH2+]CCNC(=O)c1ccccc1Cl)c1ccc(F)cc1Br ZINC000165505151 823851344 /nfs/dbraw/zinc/85/13/44/823851344.db2.gz KZEZWFJPJZIAQM-LLVKDONJSA-N 1 0 399.691 4.322 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCN(c2c(F)cccc2F)C1=O)c1cccc(N2CCCC2)c1 ZINC000126374469 823851551 /nfs/dbraw/zinc/85/15/51/823851551.db2.gz SPOOOVGCQPUCEU-QRWLVFNGSA-N 1 0 385.458 4.021 20 0 GIADRO CC[C@@H](C)n1ncc(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c1C ZINC000574890816 823853143 /nfs/dbraw/zinc/85/31/43/823853143.db2.gz WOQHXJQBCFXKBM-WIYYLYMNSA-N 1 0 382.552 4.195 20 0 GIADRO Cc1c(C(=O)NCC2([NH+]3CCSCC3)CCCC2)cccc1-c1ccccn1 ZINC000165560294 823853673 /nfs/dbraw/zinc/85/36/73/823853673.db2.gz NZJOCQAHMQEDKH-UHFFFAOYSA-N 1 0 395.572 4.148 20 0 GIADRO CSc1cccc(NC(=O)C[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000192086579 823855546 /nfs/dbraw/zinc/85/55/46/823855546.db2.gz NYTHDHPTPKHJET-PKOBYXMFSA-N 1 0 394.899 4.259 20 0 GIADRO Cc1ccc(NC(=O)C[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c(Cl)c1 ZINC000192086714 823855771 /nfs/dbraw/zinc/85/57/71/823855771.db2.gz IZSXLNAXZBTKHE-PKOBYXMFSA-N 1 0 397.277 4.499 20 0 GIADRO Cn1ccnc1COc1ccc(C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)cc1 ZINC000064641010 823856303 /nfs/dbraw/zinc/85/63/03/823856303.db2.gz XDMAWHTYGLUYGG-QHCPKHFHSA-N 1 0 391.515 4.180 20 0 GIADRO CC[C@@H]([NH2+][C@H](C)Cc1ccsc1)c1ccccc1OCC(=O)N1CCCC1 ZINC000165642300 823856432 /nfs/dbraw/zinc/85/64/32/823856432.db2.gz PHRDKIXSLMYPKQ-YLJYHZDGSA-N 1 0 386.561 4.421 20 0 GIADRO CC[C@@H]([NH2+][C@@H](C)c1cncc(F)c1)c1ccccc1OCC(=O)N1CCCC1 ZINC000165657979 823856940 /nfs/dbraw/zinc/85/69/40/823856940.db2.gz NQDBWRAYQJZSRP-OXJNMPFZSA-N 1 0 385.483 4.024 20 0 GIADRO CC(=O)N1CCCc2cc(NC(=O)c3cccc(C[NH+]4CCCCC4)c3)ccc21 ZINC000574903483 823857135 /nfs/dbraw/zinc/85/71/35/823857135.db2.gz PJLPNPZTRJVZDN-UHFFFAOYSA-N 1 0 391.515 4.224 20 0 GIADRO COC(=O)c1ccc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)cc1F ZINC000192091056 823857288 /nfs/dbraw/zinc/85/72/88/823857288.db2.gz CMVXQFOPFZKLIN-MSOLQXFVSA-N 1 0 381.806 4.025 20 0 GIADRO CC[C@H]([NH2+][C@H](C)c1ccc(OC)cc1F)c1ccccc1OCC(=O)N(C)C ZINC000165674067 823857889 /nfs/dbraw/zinc/85/78/89/823857889.db2.gz JECBAIVVSKGPCV-QRWLVFNGSA-N 1 0 388.483 4.103 20 0 GIADRO COc1ccccc1C[C@@H](C)CC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000126404085 823858670 /nfs/dbraw/zinc/85/86/70/823858670.db2.gz UYHYOXQBEBZQRJ-LJQANCHMSA-N 1 0 395.547 4.034 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ncoc1-c1ccccc1Cl ZINC000462184953 823858991 /nfs/dbraw/zinc/85/89/91/823858991.db2.gz CXMGDXPPMHIRPT-HNAYVOBHSA-N 1 0 395.890 4.245 20 0 GIADRO CC[C@H]([NH2+][C@@H]1CCCc2cc(OC)ccc21)c1ccccc1OCC(=O)N(C)C ZINC000165701965 823859898 /nfs/dbraw/zinc/85/98/98/823859898.db2.gz AWCUFHXASQJSHK-FCHUYYIVSA-N 1 0 396.531 4.281 20 0 GIADRO CSc1nnc(CCC[NH2+][C@H]2CSCCc3ccccc32)n1CC(C)C ZINC000165711672 823860344 /nfs/dbraw/zinc/86/03/44/823860344.db2.gz FPTKKCRWIDVJPJ-SFHVURJKSA-N 1 0 390.622 4.209 20 0 GIADRO Cc1nc(C(F)(F)F)sc1C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000462189494 823861347 /nfs/dbraw/zinc/86/13/47/823861347.db2.gz KFAMWIGDLXKHGV-OAHLLOKOSA-N 1 0 397.466 4.064 20 0 GIADRO CSc1nnc(CCC[NH2+][C@@H]2c3cc(F)ccc3C[C@H]2C)n1CC(C)C ZINC000165737669 823861482 /nfs/dbraw/zinc/86/14/82/823861482.db2.gz CDBIXOSXWZMELX-KUHUBIRLSA-N 1 0 376.545 4.251 20 0 GIADRO C[NH+](C)CCN(Cc1ccccc1)C(=O)c1ccc(C2SCCS2)cc1 ZINC000126416502 823861603 /nfs/dbraw/zinc/86/16/03/823861603.db2.gz YIFCTYUKYFEAQR-UHFFFAOYSA-N 1 0 386.586 4.369 20 0 GIADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)N(c2ccccc2)c2ccccc2)CC1 ZINC000574928285 823861901 /nfs/dbraw/zinc/86/19/01/823861901.db2.gz PJUHSYNMZHKJOF-YADHBBJMSA-N 1 0 379.504 4.163 20 0 GIADRO CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cnn(-c3ccc(Cl)cc3Cl)c2C)C1 ZINC000126421683 823862913 /nfs/dbraw/zinc/86/29/13/823862913.db2.gz ABUZRBHUGHRACX-WFASDCNBSA-N 1 0 395.334 4.149 20 0 GIADRO Cc1ccc(C(=O)Nc2ccc(OCC[NH+](C)C)cc2F)c(Br)c1 ZINC000413902139 823863308 /nfs/dbraw/zinc/86/33/08/823863308.db2.gz ODDDQRPMMFFTSU-UHFFFAOYSA-N 1 0 395.272 4.089 20 0 GIADRO O=C(C[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)Nc1cccc2ccccc21 ZINC000192111297 823863555 /nfs/dbraw/zinc/86/35/55/823863555.db2.gz VUNFUCAWAKMWCP-IRLDBZIGSA-N 1 0 382.410 4.176 20 0 GIADRO Cc1ccc2[nH]cc(CCC(=O)Nc3ccc(OCC[NH+](C)C)cc3F)c2c1 ZINC000413904486 823863517 /nfs/dbraw/zinc/86/35/17/823863517.db2.gz TYIDJWQRUIBYES-UHFFFAOYSA-N 1 0 383.467 4.127 20 0 GIADRO C[C@@H](CC(=O)Nc1ccc(OCC[NH+](C)C)cc1F)c1ccc(F)cc1F ZINC000413903461 823863736 /nfs/dbraw/zinc/86/37/36/823863736.db2.gz QWEOCPZXVYWERE-ZDUSSCGKSA-N 1 0 380.410 4.177 20 0 GIADRO CN(C(=O)c1cccc(C[NH+]2CCCC2)c1)c1ccc(C(=O)NC(C)(C)C)cc1 ZINC000413917971 823865706 /nfs/dbraw/zinc/86/57/06/823865706.db2.gz DKXAJIRRAHRNBH-UHFFFAOYSA-N 1 0 393.531 4.087 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@H](C)c2ccc(C)cc2)ccc1S(=O)(=O)C(F)F ZINC000165910604 823865784 /nfs/dbraw/zinc/86/57/84/823865784.db2.gz PSWUFNSDFRFHRH-KGLIPLIRSA-N 1 0 383.460 4.412 20 0 GIADRO Cc1cc(C(=O)Nc2ccc(OCC[NH+](C)C)cc2F)c2nccc(C)c2c1 ZINC000413922487 823867152 /nfs/dbraw/zinc/86/71/52/823867152.db2.gz ZIDZBNZEFQLDHK-UHFFFAOYSA-N 1 0 381.451 4.183 20 0 GIADRO O=C(c1ccc(OCC2CCCCC2)cc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000064698522 823867169 /nfs/dbraw/zinc/86/71/69/823867169.db2.gz MLEMBDMRIINMKZ-UHFFFAOYSA-N 1 0 379.504 4.003 20 0 GIADRO NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]2c2cccc3ccccc32)cc1 ZINC000165988162 823867976 /nfs/dbraw/zinc/86/79/76/823867976.db2.gz PUMVMOKTCYMYPE-JOCHJYFZSA-N 1 0 387.483 4.104 20 0 GIADRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)Nc1ccc(-c2ccccn2)cc1 ZINC000574947324 823868195 /nfs/dbraw/zinc/86/81/95/823868195.db2.gz XSTQUSBMSKPHCO-UHFFFAOYSA-N 1 0 378.476 4.327 20 0 GIADRO FC(F)(F)c1ccc(-c2nc(CN3CC[C@H](C[NH+]4CCCC4)C3)co2)cc1 ZINC000166005425 823868520 /nfs/dbraw/zinc/86/85/20/823868520.db2.gz VKXGSHPTTASWRY-OAHLLOKOSA-N 1 0 379.426 4.278 20 0 GIADRO Cc1noc(C)c1CCC[NH2+][C@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000166128315 823869872 /nfs/dbraw/zinc/86/98/72/823869872.db2.gz XSERGHSSYOAVQJ-GFCCVEGCSA-N 1 0 383.414 4.250 20 0 GIADRO FC(F)(F)COc1ccc(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)cn1 ZINC000166151991 823870412 /nfs/dbraw/zinc/87/04/12/823870412.db2.gz AMSHQTOOLWQYOU-MAUKXSAKSA-N 1 0 380.410 4.280 20 0 GIADRO C[NH+](C)Cc1ccc(NC(=O)CCOc2ccccc2Br)c(F)c1 ZINC000413935832 823870709 /nfs/dbraw/zinc/87/07/09/823870709.db2.gz FEFDEOLLWPJKFR-UHFFFAOYSA-N 1 0 395.272 4.057 20 0 GIADRO CC(C)c1ccsc1C(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000064718740 823870734 /nfs/dbraw/zinc/87/07/34/823870734.db2.gz XPDAGUOQPMHCAX-IAGOWNOFSA-N 1 0 386.561 4.411 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)c1cc(C)cc2c(C)ccnc12 ZINC000413935553 823870867 /nfs/dbraw/zinc/87/08/67/823870867.db2.gz DOXVPIRDPGDFLD-UHFFFAOYSA-N 1 0 393.487 4.053 20 0 GIADRO FC(F)(F)COc1ccc(C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)cn1 ZINC000166152219 823871020 /nfs/dbraw/zinc/87/10/20/823871020.db2.gz AMSHQTOOLWQYOU-CRAIPNDOSA-N 1 0 380.410 4.280 20 0 GIADRO CCc1c(NC(=O)c2cccc(C[NH+](C)C)c2)cnn1-c1cccc(Cl)c1 ZINC000192130487 823871022 /nfs/dbraw/zinc/87/10/22/823871022.db2.gz TYRDTIFTBSDOIS-UHFFFAOYSA-N 1 0 382.895 4.402 20 0 GIADRO CCSCc1ccccc1C(=O)Nc1ccc(OCC[NH+](C)C)cc1OC ZINC000413936446 823871313 /nfs/dbraw/zinc/87/13/13/823871313.db2.gz GNOFXNYCBWQFPC-UHFFFAOYSA-N 1 0 388.533 4.141 20 0 GIADRO C[C@@H]([NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1)c1ccc2c(c1)OCCO2 ZINC000166174590 823871869 /nfs/dbraw/zinc/87/18/69/823871869.db2.gz LVDSBNNCXGBWOQ-OAHLLOKOSA-N 1 0 388.458 4.051 20 0 GIADRO COc1ccc(SCCC(=O)Nc2ccc(C[NH+](C)C)cc2F)cc1OC ZINC000413940434 823872448 /nfs/dbraw/zinc/87/24/48/823872448.db2.gz SCZMRAKQQCADLQ-UHFFFAOYSA-N 1 0 392.496 4.025 20 0 GIADRO CCCOc1ccc(Oc2ncccc2CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166211862 823872663 /nfs/dbraw/zinc/87/26/63/823872663.db2.gz LDAGCCPVAVBXKY-VQTJNVASSA-N 1 0 381.520 4.379 20 0 GIADRO C[C@H]1C[C@@H](c2ccccc2)[N@H+](Cc2ccccc2OCC(=O)N2CCCC2)C1 ZINC000574962419 823873379 /nfs/dbraw/zinc/87/33/79/823873379.db2.gz RWTOSSHBOTWPLA-UGKGYDQZSA-N 1 0 378.516 4.271 20 0 GIADRO CCOc1ccc(C(C)=O)cc1C[NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000192136053 823873852 /nfs/dbraw/zinc/87/38/52/823873852.db2.gz QIRKUFVMLWJEGT-FPOVZHCZSA-N 1 0 375.415 4.186 20 0 GIADRO CCOc1ccc(C(C)=O)cc1C[NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192136044 823873888 /nfs/dbraw/zinc/87/38/88/823873888.db2.gz QIRKUFVMLWJEGT-PZJWPPBQSA-N 1 0 375.415 4.186 20 0 GIADRO CSc1ccccc1NC(=O)[C@H](C)[NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192135559 823873973 /nfs/dbraw/zinc/87/39/73/823873973.db2.gz PNCCJHFGRBFXIH-OYYNGEPBSA-N 1 0 392.471 4.134 20 0 GIADRO COCCC[C@H]([NH2+][C@H]1C[C@@H](C)N(C2CC2)C1)c1ccc(Br)cc1 ZINC000166269510 823874090 /nfs/dbraw/zinc/87/40/90/823874090.db2.gz AQNCVPWNCOEFGT-LJHODMEESA-N 1 0 381.358 4.132 20 0 GIADRO C[C@@H]1CN(Cc2cccc(C[NH2+][C@@H](C[C@@H]3CCOC3)c3ccccc3)c2)CCO1 ZINC000166303497 823874586 /nfs/dbraw/zinc/87/45/86/823874586.db2.gz WDUNMPRCLQYHQX-PBXXJUDPSA-N 1 0 394.559 4.165 20 0 GIADRO Cc1cccc(C)c1NC(=O)CCC[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000192137488 823875031 /nfs/dbraw/zinc/87/50/31/823875031.db2.gz ZLFUUUIPVGZCNA-KNQAVFIVSA-N 1 0 388.458 4.420 20 0 GIADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2ccccc2OCc2cscn2)C1 ZINC000064735450 823875166 /nfs/dbraw/zinc/87/51/66/823875166.db2.gz CDWHAMMKBODUPN-ZIFCJYIRSA-N 1 0 399.560 4.200 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)Nc1ccc(Br)nc1 ZINC000166419193 823877403 /nfs/dbraw/zinc/87/74/03/823877403.db2.gz IGWAQQJKUIQHMA-UHFFFAOYSA-N 1 0 391.313 4.006 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+][C@H]1CCCN(c2cnn(C)c2)C1 ZINC000166460953 823877970 /nfs/dbraw/zinc/87/79/70/823877970.db2.gz VCLJEOOOUIHBQA-KSSFIOAISA-N 1 0 399.539 4.311 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)c1ccccc1SC(C)C ZINC000413959841 823878519 /nfs/dbraw/zinc/87/85/19/823878519.db2.gz PZXFLURJSGDXAY-UHFFFAOYSA-N 1 0 388.533 4.388 20 0 GIADRO Cc1nc(-c2cc([C@@H](C)[NH2+][C@H]3CCCN(c4cnn(C)c4)C3)cs2)cs1 ZINC000166552316 823879426 /nfs/dbraw/zinc/87/94/26/823879426.db2.gz NCOXSXDNFKSPOK-CJNGLKHVSA-N 1 0 387.578 4.233 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+][C@H]1CCCN(c2cnn(C)c2)C1 ZINC000166601978 823879544 /nfs/dbraw/zinc/87/95/44/823879544.db2.gz QKZVPEVFLPAAIF-QAPCUYQASA-N 1 0 381.549 4.172 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)CC(=O)Nc2cccnc2Cl)cc1 ZINC000166664268 823880735 /nfs/dbraw/zinc/88/07/35/823880735.db2.gz CMAVNFFMHIOZTL-LSDHHAIUSA-N 1 0 397.910 4.297 20 0 GIADRO Cc1c(-c2nc([C@H]([NH3+])CC(C)C)no2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000574988971 823880958 /nfs/dbraw/zinc/88/09/58/823880958.db2.gz XTUYADJBDBMYIB-OAHLLOKOSA-N 1 0 379.386 4.295 20 0 GIADRO CC(C)c1nc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)cc(C(C)(C)C)n1 ZINC000574993165 823881504 /nfs/dbraw/zinc/88/15/04/823881504.db2.gz JNDVJSZUVJUCGZ-LAUBAEHRSA-N 1 0 398.599 4.150 20 0 GIADRO COc1cc([C@H](C)[NH2+]C[C@@H]2CC3(CCC3)C(=O)O2)ccc1OCCC(C)C ZINC000192152379 823882009 /nfs/dbraw/zinc/88/20/09/823882009.db2.gz CFEHVTZSLPWFSQ-WMZOPIPTSA-N 1 0 375.509 4.257 20 0 GIADRO Cc1cccc([C@H]2CCCN2C(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)n1 ZINC000166734678 823882252 /nfs/dbraw/zinc/88/22/52/823882252.db2.gz UJYCPTIHRBCWFN-DENIHFKCSA-N 1 0 381.495 4.105 20 0 GIADRO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@@H+]2CCSC(C)(C)CC2)o1 ZINC000574998738 823883225 /nfs/dbraw/zinc/88/32/25/823883225.db2.gz VONRLCBAFVVVDN-UHFFFAOYSA-N 1 0 384.505 4.418 20 0 GIADRO O=C([C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000575000123 823883779 /nfs/dbraw/zinc/88/37/79/823883779.db2.gz VKXMKJYDCQDQNL-OAQYLSRUSA-N 1 0 385.511 4.306 20 0 GIADRO Cc1ccc(C[NH2+][C@H](C)c2ccc(NS(C)(=O)=O)cc2)c(OCC2CC2)c1 ZINC000166912691 823883945 /nfs/dbraw/zinc/88/39/45/823883945.db2.gz GDYZIGXHBDYPDE-MRXNPFEDSA-N 1 0 388.533 4.006 20 0 GIADRO CCc1noc(CC)c1C[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000166991399 823884967 /nfs/dbraw/zinc/88/49/67/823884967.db2.gz AEIYEFQVUIWOKU-LBPRGKRZSA-N 1 0 394.313 4.069 20 0 GIADRO CCC(CC)[N@H+](CCOC)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000064805774 823888581 /nfs/dbraw/zinc/88/85/81/823888581.db2.gz URYAOSSIKVGOMA-UHFFFAOYSA-N 1 0 380.838 4.434 20 0 GIADRO C[N@H+](CCNC(=O)CCc1ccc(-c2ccccc2F)o1)Cc1ccccc1 ZINC000064804810 823888672 /nfs/dbraw/zinc/88/86/72/823888672.db2.gz GXJWTZAQGQXHCT-UHFFFAOYSA-N 1 0 380.463 4.267 20 0 GIADRO COCc1cc([C@@H](C)[NH2+]Cc2ccc(C)cc2OC[C@H]2CCOC2)ccc1OC ZINC000167202838 823888762 /nfs/dbraw/zinc/88/87/62/823888762.db2.gz AHERMLIJNHDENO-MOPGFXCFSA-N 1 0 399.531 4.416 20 0 GIADRO COCCCOc1cc(C)ccc1C[NH2+][C@@H]1CCCOc2ccc(OC)cc21 ZINC000167229930 823889325 /nfs/dbraw/zinc/88/93/25/823889325.db2.gz UOWHZPIXIONNBR-OAQYLSRUSA-N 1 0 385.504 4.422 20 0 GIADRO CN(C(=O)Nc1ccc(Oc2ccccc2)cc1C(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000575021390 823889852 /nfs/dbraw/zinc/88/98/52/823889852.db2.gz BEYMUZUTDQDJQY-ZDUSSCGKSA-N 1 0 379.382 4.323 20 0 GIADRO Cc1ccc(C[NH2+]C2CCN(CC(F)(F)F)CC2)c(OCC(F)(F)F)c1 ZINC000167292595 823890000 /nfs/dbraw/zinc/89/00/00/823890000.db2.gz MUOYZLPGCZOZMT-UHFFFAOYSA-N 1 0 384.364 4.052 20 0 GIADRO O=C(NCc1ccncc1)Nc1cccc(C[NH2+][C@H]2CCc3ccccc3C2)c1 ZINC000167335346 823890635 /nfs/dbraw/zinc/89/06/35/823890635.db2.gz FFNPNYDVQUOHEX-QFIPXVFZSA-N 1 0 386.499 4.050 20 0 GIADRO Cc1c([C@H](C)[NH2+]CCc2nnc3n2CCCCC3)cnn1-c1cc(C)ccc1C ZINC000126528843 823891322 /nfs/dbraw/zinc/89/13/22/823891322.db2.gz TXGOYMAQCNBREC-SFHVURJKSA-N 1 0 392.551 4.009 20 0 GIADRO C[C@H]([NH2+]CCc1nnc2n1CCCCC2)c1ccc(SCC(F)F)cc1 ZINC000126529116 823891326 /nfs/dbraw/zinc/89/13/26/823891326.db2.gz GBCBSQDDGCGPKM-AWEZNQCLSA-N 1 0 380.508 4.255 20 0 GIADRO CCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2sc(-c3ccc(Cl)cc3)nc2C)C1 ZINC000126528747 823891420 /nfs/dbraw/zinc/89/14/20/823891420.db2.gz ABAMIEXCUFAABC-MLGOLLRUSA-N 1 0 377.941 4.433 20 0 GIADRO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(NC(=O)NCc3ccncc3)c1)CC2 ZINC000167402716 823891655 /nfs/dbraw/zinc/89/16/55/823891655.db2.gz YDJRBUKDQABBOJ-QHCPKHFHSA-N 1 0 386.499 4.489 20 0 GIADRO C[C@H](Cc1ccc(F)cc1)[NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1 ZINC000167381847 823891723 /nfs/dbraw/zinc/89/17/23/823891723.db2.gz CDBLOJXMNFQSNK-QGZVFWFLSA-N 1 0 392.478 4.263 20 0 GIADRO CC(C)n1cc([C@@H](C)[NH2+]Cc2cccc(NC(=O)NCc3ccncc3)c2)cn1 ZINC000167429172 823892125 /nfs/dbraw/zinc/89/21/25/823892125.db2.gz WEPHDUNNVPOORA-QGZVFWFLSA-N 1 0 392.507 4.032 20 0 GIADRO O=C(NCC[C@H]1CCC[NH2+]C1)NC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000575027390 823892386 /nfs/dbraw/zinc/89/23/86/823892386.db2.gz MCKLUDCPAOWTIS-GFCCVEGCSA-N 1 0 389.849 4.037 20 0 GIADRO COc1cc(CN2CC[C@@H]([NH2+][C@@H](C)c3cnc4ccsc4c3)C2)cc(OC)c1 ZINC000167561157 823893694 /nfs/dbraw/zinc/89/36/94/823893694.db2.gz YNUVNMFZDSIXDF-MAUKXSAKSA-N 1 0 397.544 4.239 20 0 GIADRO CCCOc1cc(C)ccc1C[NH2+][C@@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000167676939 823894233 /nfs/dbraw/zinc/89/42/33/823894233.db2.gz YYTRSEOXGNASMY-INIZCTEOSA-N 1 0 376.522 4.006 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2N2CCC(O)CC2)cc1F ZINC000167786469 823895221 /nfs/dbraw/zinc/89/52/21/823895221.db2.gz MIXDSSCQUKTTRD-HUUCEWRRSA-N 1 0 390.474 4.346 20 0 GIADRO COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(N2CCCC2)c1 ZINC000126548435 823895645 /nfs/dbraw/zinc/89/56/45/823895645.db2.gz VCDGXDNSBZZYNP-GBESFXJTSA-N 1 0 395.547 4.212 20 0 GIADRO CC(C)n1ncc2ccc(NC(=O)N[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C)cc21 ZINC000462247974 823896745 /nfs/dbraw/zinc/89/67/45/823896745.db2.gz PXBKVXXRLGJDCQ-UWJYYQICSA-N 1 0 391.519 4.259 20 0 GIADRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CC(C)(C)N[C@@H](C)c1ccccc1 ZINC000167848284 823896888 /nfs/dbraw/zinc/89/68/88/823896888.db2.gz OIFHDCVDWVFHIA-HOTGVXAUSA-N 1 0 388.943 4.171 20 0 GIADRO O=C(c1ccccc1-c1ncc(-c2ccccc2)o1)N1CC[NH+](CC2CC2)CC1 ZINC000064834859 823896913 /nfs/dbraw/zinc/89/69/13/823896913.db2.gz VRIYVDYSCQTNHH-UHFFFAOYSA-N 1 0 387.483 4.176 20 0 GIADRO CCN(C(=O)CCc1c(C)noc1Cl)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000126553783 823897264 /nfs/dbraw/zinc/89/72/64/823897264.db2.gz UOIUIYXGGMTDJH-FUHWJXTLSA-N 1 0 389.927 4.253 20 0 GIADRO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(Br)c(Cl)c2)C1 ZINC000192196353 823897975 /nfs/dbraw/zinc/89/79/75/823897975.db2.gz JXRDORVGEPQMDC-RDXCRGQUSA-N 1 0 378.763 4.272 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)C1(c2ccccc2)CCCC1 ZINC000126559033 823898774 /nfs/dbraw/zinc/89/87/74/823898774.db2.gz GJHDINKIWJGBIO-UHFFFAOYSA-N 1 0 377.532 4.268 20 0 GIADRO CCOCCC1(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)CC1 ZINC000126563393 823899509 /nfs/dbraw/zinc/89/95/09/823899509.db2.gz RJKLYODRDPNZDH-UHFFFAOYSA-N 1 0 376.504 4.231 20 0 GIADRO Cc1nn(C)c(C)c1CC[NH2+]Cc1c(Cl)n(Cc2ccccc2)nc1C(C)C ZINC000168011189 823899748 /nfs/dbraw/zinc/89/97/48/823899748.db2.gz PCMRUFIZRKPEIW-UHFFFAOYSA-N 1 0 399.970 4.391 20 0 GIADRO CCC(=O)Nc1ccccc1C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000462253123 823899888 /nfs/dbraw/zinc/89/98/88/823899888.db2.gz GQVBHYASCBFOHM-GOSISDBHSA-N 1 0 385.552 4.152 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(OC(F)F)c(F)c1)c1cccc(N2CCOC2=O)c1 ZINC000168174268 823900815 /nfs/dbraw/zinc/90/08/15/823900815.db2.gz GOHRDPBABIBCRF-GFCCVEGCSA-N 1 0 380.366 4.235 20 0 GIADRO COCCOc1ccc(NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)c(C)c1 ZINC000192204124 823900957 /nfs/dbraw/zinc/90/09/57/823900957.db2.gz ROWUIQLYPNQSTD-UHFFFAOYSA-N 1 0 396.531 4.261 20 0 GIADRO Cc1noc(C)c1[C@H](C)[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000168230338 823901210 /nfs/dbraw/zinc/90/12/10/823901210.db2.gz QWBKPBXZPCGWQY-MNOVXSKESA-N 1 0 380.286 4.122 20 0 GIADRO Cc1nc(CN2CCC(C[NH2+]Cc3ccc(OC(F)F)c(F)c3)CC2)oc1C ZINC000168307139 823901836 /nfs/dbraw/zinc/90/18/36/823901836.db2.gz QGQBIQHPJDFVHH-UHFFFAOYSA-N 1 0 397.441 4.034 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1cc(-c2ccccn2)ccc1Cl)Cc1ccccc1 ZINC000168545314 823903643 /nfs/dbraw/zinc/90/36/43/823903643.db2.gz ZDQCULHFTMNXFE-LJQANCHMSA-N 1 0 393.918 4.305 20 0 GIADRO COc1cc(F)c([C@H](C)[NH2+][C@@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)cc1OC ZINC000168550858 823903773 /nfs/dbraw/zinc/90/37/73/823903773.db2.gz UMTSIHRMMITMPJ-STQMWFEESA-N 1 0 386.467 4.484 20 0 GIADRO Cc1ccc(C[NH2+]Cc2ccc(OC(F)F)c(F)c2)c(OC[C@@H]2CCOC2)c1 ZINC000168523860 823903895 /nfs/dbraw/zinc/90/38/95/823903895.db2.gz KDAQTJQVUFBRRF-MRXNPFEDSA-N 1 0 395.421 4.441 20 0 GIADRO Cc1ccc([C@@H](C[NH2+][C@H](C)c2csc(-c3ccccc3)n2)N2CCOCC2)o1 ZINC000414077833 823903952 /nfs/dbraw/zinc/90/39/52/823903952.db2.gz ZJYSIIGSGBXGBJ-YLJYHZDGSA-N 1 0 397.544 4.436 20 0 GIADRO O=C(CC[NH2+]C[C@@H](c1ccco1)N1CCCC1)Nc1cccc(C(F)(F)F)c1 ZINC000575074092 823904877 /nfs/dbraw/zinc/90/48/77/823904877.db2.gz VPUBICPBINYINE-KRWDZBQOSA-N 1 0 395.425 4.054 20 0 GIADRO COC(=O)c1cnc([C@H](C)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)s1 ZINC000414084561 823905565 /nfs/dbraw/zinc/90/55/65/823905565.db2.gz XWKHVHHODBEYCH-CVEARBPZSA-N 1 0 387.549 4.155 20 0 GIADRO Cc1ccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c(Br)c1 ZINC000168798833 823906085 /nfs/dbraw/zinc/90/60/85/823906085.db2.gz CQRSHAIKARAQKF-MRXNPFEDSA-N 1 0 393.350 4.386 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=S)Nc2ccc(OC(F)F)cc2)C1 ZINC000064895190 823907095 /nfs/dbraw/zinc/90/70/95/823907095.db2.gz GJMZRSKUGPMJMJ-OKILXGFUSA-N 1 0 385.524 4.331 20 0 GIADRO COc1ccc(C[C@@H](C)C(=O)Nc2ccccc2NC2CC[NH+](C)CC2)cc1 ZINC000126596618 823907416 /nfs/dbraw/zinc/90/74/16/823907416.db2.gz AJWWJTVXJBCXNW-QGZVFWFLSA-N 1 0 381.520 4.019 20 0 GIADRO CC(C)(C)C[C@@H]([NH2+]C[C@]1(CCO)CCOC1)c1ccc(Br)cc1 ZINC000414093084 823907672 /nfs/dbraw/zinc/90/76/72/823907672.db2.gz LZBHDJOSUIWUTR-MJGOQNOKSA-N 1 0 384.358 4.305 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)c2cc(-c3ccccn3)ccc2Cl)c1 ZINC000169004036 823907874 /nfs/dbraw/zinc/90/78/74/823907874.db2.gz QDJYPRDXTUIYSA-UHFFFAOYSA-N 1 0 379.891 4.394 20 0 GIADRO C[C@H](CC[NH2+][C@@H](c1ccccc1)c1cccc(Br)c1)[S@@](C)=O ZINC000414099842 823909029 /nfs/dbraw/zinc/90/90/29/823909029.db2.gz VBWIDVLPMUHNLT-JVJLVOBOSA-N 1 0 380.351 4.285 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCCC2)c1)c1ccn(-c2ccccc2Cl)n1 ZINC000064908566 823910413 /nfs/dbraw/zinc/91/04/13/823910413.db2.gz JKJIQFMNVBHPGV-UHFFFAOYSA-N 1 0 380.879 4.374 20 0 GIADRO C[C@@H]1C(=O)CC[C@H](C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)C1(C)C ZINC000575103348 823913417 /nfs/dbraw/zinc/91/34/17/823913417.db2.gz UKWSHAMONRRKDX-HLAWJBBLSA-N 1 0 384.564 4.046 20 0 GIADRO CC(C)Cn1ncc(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1C(C)C ZINC000462288363 823913415 /nfs/dbraw/zinc/91/34/15/823913415.db2.gz ULIXYTYHEWDDHD-RXVVDRJESA-N 1 0 397.567 4.305 20 0 GIADRO Cn1cnc(CC[NH2+][C@@H](c2ccc(F)cc2)c2ccc(C(F)(F)F)cc2)c1 ZINC000414123641 823914248 /nfs/dbraw/zinc/91/42/48/823914248.db2.gz JMNJPVSOLYAGDF-LJQANCHMSA-N 1 0 377.385 4.500 20 0 GIADRO COC(=O)c1cnc([C@H](C)NCc2ccccc2C[NH+]2CCCCCC2)s1 ZINC000414122587 823914363 /nfs/dbraw/zinc/91/43/63/823914363.db2.gz OAIDVSAEJNIXMG-INIZCTEOSA-N 1 0 387.549 4.157 20 0 GIADRO Cc1ccc(COc2ccc(C[C@H](C)[NH2+]Cc3cn(C(C)C)nn3)cc2)cc1 ZINC000575112220 823914950 /nfs/dbraw/zinc/91/49/50/823914950.db2.gz HDHJXPJHCDLGCU-IBGZPJMESA-N 1 0 378.520 4.467 20 0 GIADRO C[C@@H]([NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)c1cc2n(n1)CCC2 ZINC000414125938 823915075 /nfs/dbraw/zinc/91/50/75/823915075.db2.gz DPONBPOQVYXPHL-MRVWCRGKSA-N 1 0 378.289 4.328 20 0 GIADRO CCOC(=O)c1csc(CC[NH2+][C@@H]2CC[C@H](c3cccc(Cl)c3)C2)n1 ZINC000414126544 823915089 /nfs/dbraw/zinc/91/50/89/823915089.db2.gz DVOSADQZIWXECI-GOEBONIOSA-N 1 0 378.925 4.442 20 0 GIADRO Cc1ccc(C[NH2+][C@H]2CC[C@H](c3cccc(Cl)c3)C2)cc1S(C)(=O)=O ZINC000414127224 823915350 /nfs/dbraw/zinc/91/53/50/823915350.db2.gz FZDQDHTYWRHJEI-HKUYNNGSSA-N 1 0 377.937 4.478 20 0 GIADRO CCOC(=O)c1csc(CC[NH2+][C@H](C)c2csc(-c3ccccc3)n2)n1 ZINC000414132587 823916295 /nfs/dbraw/zinc/91/62/95/823916295.db2.gz MSBOIOJTQAODHD-CYBMUJFWSA-N 1 0 387.530 4.337 20 0 GIADRO COc1ccc(C[C@H](C)[NH2+][C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)cn1 ZINC000414130933 823916386 /nfs/dbraw/zinc/91/63/86/823916386.db2.gz XCAOVTHLYOENLL-IRXDYDNUSA-N 1 0 390.487 4.019 20 0 GIADRO Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH2+]CC1(C)OCCCO1 ZINC000192251402 823916912 /nfs/dbraw/zinc/91/69/12/823916912.db2.gz XYZRXGQYHSORGO-UHFFFAOYSA-N 1 0 377.488 4.090 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]1C[C@H]1c1ccccc1Cl ZINC000126638421 823917317 /nfs/dbraw/zinc/91/73/17/823917317.db2.gz QWENPFOCBYNYAP-VQTJNVASSA-N 1 0 383.923 4.214 20 0 GIADRO COC(=O)COc1ccccc1[C@H](C)[NH2+]Cc1ccc(Br)c(C)c1 ZINC000414142164 823917823 /nfs/dbraw/zinc/91/78/23/823917823.db2.gz KFENIYLVZLAMRE-AWEZNQCLSA-N 1 0 392.293 4.160 20 0 GIADRO Cc1ccc([C@@H]([NH2+][C@H]2C[C@@H](OC(C)C)C2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000414142302 823917832 /nfs/dbraw/zinc/91/78/32/823917832.db2.gz KLLQVSHLNXPLNV-RZUBCFFCSA-N 1 0 387.545 4.034 20 0 GIADRO Cc1ccc(NC(=O)N(CC[NH+](C)C)CC(C)C)cc1NC(=O)C(C)(C)C ZINC000126640563 823917888 /nfs/dbraw/zinc/91/78/88/823917888.db2.gz UWCZGBPTNDYOPY-UHFFFAOYSA-N 1 0 376.545 4.031 20 0 GIADRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000575126824 823918323 /nfs/dbraw/zinc/91/83/23/823918323.db2.gz RUJREXWWGAAKLS-FHSNZYRGSA-N 1 0 393.409 4.009 20 0 GIADRO Fc1cc(C[NH2+][C@H]2CC[C@H](c3cccc(Cl)c3)C2)cnc1N1CCOCC1 ZINC000414149853 823918896 /nfs/dbraw/zinc/91/88/96/823918896.db2.gz XVGSMSANTDRTBI-HKUYNNGSSA-N 1 0 389.902 4.137 20 0 GIADRO C[C@H]([NH2+][C@@H](CCC(=O)OC(C)(C)C)Cc1ccccc1)c1cc2n(n1)CCC2 ZINC000414148448 823919018 /nfs/dbraw/zinc/91/90/18/823919018.db2.gz SQKFEBLSESLBMY-HKUYNNGSSA-N 1 0 383.536 4.213 20 0 GIADRO Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3csc(-c4ccccc4)n3)C2)n(C)n1 ZINC000414160589 823920591 /nfs/dbraw/zinc/92/05/91/823920591.db2.gz ZRMZLDZIMAPISY-SJLPKXTDSA-N 1 0 381.549 4.172 20 0 GIADRO C[C@H]([NH2+][C@H]1CCCN(C(=O)N2CCCC2)C1)c1csc(-c2ccccc2)n1 ZINC000414164429 823920968 /nfs/dbraw/zinc/92/09/68/823920968.db2.gz OGVCVHCXEBQVNC-WMZOPIPTSA-N 1 0 384.549 4.141 20 0 GIADRO Cc1cc([C@@H](C)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)no1 ZINC000414169237 823922160 /nfs/dbraw/zinc/92/21/60/823922160.db2.gz AXYFHMPOSSQBNK-FRGLQRNOSA-N 1 0 379.479 4.441 20 0 GIADRO CC(C)(C)NS(=O)(=O)c1ccccc1C[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000065013892 823924270 /nfs/dbraw/zinc/92/42/70/823924270.db2.gz BLXJAEFHIBIAEN-UHFFFAOYSA-N 1 0 388.577 4.351 20 0 GIADRO COc1ccc([C@H](CO)C[NH2+][C@@H](c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000414186942 823924340 /nfs/dbraw/zinc/92/43/40/823924340.db2.gz PWCWTEUUYGUNTH-URXFXBBRSA-N 1 0 377.484 4.159 20 0 GIADRO COc1ccc(C[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)cc1OC ZINC000065014688 823924614 /nfs/dbraw/zinc/92/46/14/823924614.db2.gz UHDUWSMIENTOHE-UHFFFAOYSA-N 1 0 391.393 4.198 20 0 GIADRO COc1ccc([C@@H](CO)C[NH2+][C@H](C)c2ccc(Br)c(F)c2)cc1 ZINC000414187635 823924973 /nfs/dbraw/zinc/92/49/73/823924973.db2.gz QFLXXGSRGWFLII-IUODEOHRSA-N 1 0 382.273 4.024 20 0 GIADRO Cc1cc(C)c(S(=O)(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c(C)c1 ZINC000462328378 823926306 /nfs/dbraw/zinc/92/63/06/823926306.db2.gz TVJQMPVASCPAJA-IEBWSBKVSA-N 1 0 392.590 4.035 20 0 GIADRO CCc1cccnc1[C@@H](C)[NH2+]C[C@@H](CO)Cc1cc(F)cc(Br)c1 ZINC000414198854 823926335 /nfs/dbraw/zinc/92/63/35/823926335.db2.gz WPXCLKWJLQKIHI-HIFRSBDPSA-N 1 0 395.316 4.047 20 0 GIADRO CCc1cccnc1[C@H](C)[NH2+]C[C@H](CO)Cc1cc(F)cc(Br)c1 ZINC000414198851 823926344 /nfs/dbraw/zinc/92/63/44/823926344.db2.gz WPXCLKWJLQKIHI-DZGCQCFKSA-N 1 0 395.316 4.047 20 0 GIADRO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](Cc2cc3ccccc3nc2Cl)C1 ZINC000170648101 823926589 /nfs/dbraw/zinc/92/65/89/823926589.db2.gz LPBUHGRWBSTYJK-AWEZNQCLSA-N 1 0 375.900 4.235 20 0 GIADRO COc1cc([C@H](C)[NH2+]C[C@@H]2[C@@H](c3ccccc3)C2(C)C)ccc1S(C)(=O)=O ZINC000414199080 823927325 /nfs/dbraw/zinc/92/73/25/823927325.db2.gz YWFSXQJDJGESPE-RRMPHLOHSA-N 1 0 387.545 4.189 20 0 GIADRO CCn1ccc(C[NH2+][C@@H](C)CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1 ZINC000414204134 823927924 /nfs/dbraw/zinc/92/79/24/823927924.db2.gz FQBMYCOCBRSCRC-NSHDSACASA-N 1 0 388.821 4.082 20 0 GIADRO COCCNC(=O)C1([NH2+][C@H](C)c2ccc(-c3ccccc3Cl)s2)CC1 ZINC000414204137 823927991 /nfs/dbraw/zinc/92/79/91/823927991.db2.gz HGBMXIYNDHWDSR-CYBMUJFWSA-N 1 0 378.925 4.014 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]C2CCC(C(F)(F)F)CC2)c1 ZINC000414204610 823928043 /nfs/dbraw/zinc/92/80/43/823928043.db2.gz BOLLGJKIVWHUGA-UHFFFAOYSA-N 1 0 383.863 4.344 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H]2CCCNc3ccccc32)c1 ZINC000414205468 823928153 /nfs/dbraw/zinc/92/81/53/823928153.db2.gz DCJAOAZHYHJIQH-LJQANCHMSA-N 1 0 378.925 4.170 20 0 GIADRO 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 823928253 /nfs/dbraw/zinc/92/82/53/823928253.db2.gz WPOKYKOIFBTZPP-LPVXIZACSA-N 1 0 378.516 4.133 20 0 GIADRO COCC[C@@H](C)C[NH2+][C@H](C)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000414206368 823928393 /nfs/dbraw/zinc/92/83/93/823928393.db2.gz PVKUFMNCJAOSFG-QZTJIDSGSA-N 1 0 396.597 4.011 20 0 GIADRO Clc1c(Br)cccc1C[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000414207022 823928403 /nfs/dbraw/zinc/92/84/03/823928403.db2.gz GNPYAXSIVZHGBZ-UHFFFAOYSA-N 1 0 394.744 4.252 20 0 GIADRO C[C@@H](N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1cccnc1Cl ZINC000126693416 823928728 /nfs/dbraw/zinc/92/87/28/823928728.db2.gz SVKALAYZBPJSFC-CABCVRRESA-N 1 0 376.907 4.038 20 0 GIADRO CC[C@@H]1C[N@H+](CCCc2ccncc2)[C@H](CC)CN1CCCc1ccncc1 ZINC000462334381 823928695 /nfs/dbraw/zinc/92/86/95/823928695.db2.gz JMDZIVKVOXOSDZ-DNQXCXABSA-N 1 0 380.580 4.217 20 0 GIADRO Cc1c2cccc(Cl)c2oc1C(=O)N(C)C1CC[NH+](C2CCOCC2)CC1 ZINC000065040572 823928911 /nfs/dbraw/zinc/92/89/11/823928911.db2.gz VTUHWRXYAJDNCV-UHFFFAOYSA-N 1 0 390.911 4.110 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000414208753 823929184 /nfs/dbraw/zinc/92/91/84/823929184.db2.gz JGVUVDHDROJKOR-OCCSQVGLSA-N 1 0 383.863 4.344 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H](C)[C@H](C)c2ccc(OC)cc2)c1 ZINC000414213025 823930518 /nfs/dbraw/zinc/93/05/18/823930518.db2.gz RVKHUGRPMNAMHI-LSDHHAIUSA-N 1 0 395.952 4.424 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H](C)c2ccc3c(c2)COC3)c1 ZINC000414212281 823930539 /nfs/dbraw/zinc/93/05/39/823930539.db2.gz QSIKABHWMIQJTD-CYBMUJFWSA-N 1 0 379.909 4.015 20 0 GIADRO CC(C)OC1CCC(NC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC000126709917 823932747 /nfs/dbraw/zinc/93/27/47/823932747.db2.gz QZEIPPGZLZVSCB-KKXNLOMOSA-N 1 0 375.557 4.151 20 0 GIADRO Cc1nnc(Sc2ccc(NC(=O)[C@@H]3C[NH2+]Cc4ccccc43)c(C)c2)s1 ZINC000575182074 823933152 /nfs/dbraw/zinc/93/31/52/823933152.db2.gz TVZQFMIOUYQDKV-QGZVFWFLSA-N 1 0 396.541 4.132 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)N(C)CCc1ccncc1)c1ccccc1Cl ZINC000170674458 823933187 /nfs/dbraw/zinc/93/31/87/823933187.db2.gz HRNYVCAICLNDJK-FQEVSTJZSA-N 1 0 388.943 4.002 20 0 GIADRO C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)CS1 ZINC000414226114 823933725 /nfs/dbraw/zinc/93/37/25/823933725.db2.gz JNVAFLUPSGYXFG-XVSDVWIESA-N 1 0 395.977 4.317 20 0 GIADRO COc1ccc([C@H](Cc2ccccc2)NC(=O)N2CCC[N@@H+](C(C)C)CC2)cc1 ZINC000462347391 823934963 /nfs/dbraw/zinc/93/49/63/823934963.db2.gz IAKNFWQLOSNZBR-QHCPKHFHSA-N 1 0 395.547 4.105 20 0 GIADRO CC(=O)c1cc(NC(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1C ZINC000575193220 823935100 /nfs/dbraw/zinc/93/51/00/823935100.db2.gz AXTIJGYGWGYLMU-YLJYHZDGSA-N 1 0 379.504 4.230 20 0 GIADRO C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]Cc1nccc(C(F)(F)F)n1 ZINC000414233843 823935200 /nfs/dbraw/zinc/93/52/00/823935200.db2.gz FQDQNJSYQVLCMO-SECBINFHSA-N 1 0 392.194 4.118 20 0 GIADRO Cc1nc2cc(F)ccc2cc1C(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000170678409 823935417 /nfs/dbraw/zinc/93/54/17/823935417.db2.gz HHACMEZMRYBXHM-UHFFFAOYSA-N 1 0 392.478 4.441 20 0 GIADRO O=C(c1cccnc1Sc1ccccc1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000126720877 823935620 /nfs/dbraw/zinc/93/56/20/823935620.db2.gz RWJMMDNJUOUXJQ-LAUBAEHRSA-N 1 0 393.556 4.322 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@@H](C)c2cccc(OC(F)(F)F)c2)cn1 ZINC000414236983 823936736 /nfs/dbraw/zinc/93/67/36/823936736.db2.gz AQQIVEXPNPQSQL-DHSIGJKJSA-N 1 0 383.414 4.230 20 0 GIADRO O=S(=O)(CCC[NH2+]Cc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1 ZINC000575200172 823937398 /nfs/dbraw/zinc/93/73/98/823937398.db2.gz UFXJVCNLVYYUJM-UHFFFAOYSA-N 1 0 391.842 4.312 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@H]2CCc3sc(Br)cc32)cn1 ZINC000414243009 823938473 /nfs/dbraw/zinc/93/84/73/823938473.db2.gz JDDXYENTDBMPLR-PZSREKOKSA-N 1 0 396.354 4.082 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)c2ccccc2-c2nc(C(C)(C)C)no2)c1 ZINC000170684855 823938776 /nfs/dbraw/zinc/93/87/76/823938776.db2.gz TUZHGTQIPWQYLL-UHFFFAOYSA-N 1 0 378.476 4.348 20 0 GIADRO C[N@@H+]1CC[C@H](NC(=O)Nc2cc(Cl)c(N)c(Cl)c2)[C@@H]1c1ccccc1 ZINC000192299050 823939166 /nfs/dbraw/zinc/93/91/66/823939166.db2.gz YXWKXCKEWMOULM-RDJZCZTQSA-N 1 0 379.291 4.143 20 0 GIADRO Cc1onc(C2CC2)c1C(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000575207797 823939118 /nfs/dbraw/zinc/93/91/18/823939118.db2.gz QVQQRBAVADAZCO-HZPDHXFCSA-N 1 0 381.520 4.268 20 0 GIADRO Cc1nc2ccc(C(=O)N(CC[NH+]3CCCCCC3)C3CCC3)cc2nc1C ZINC000575208940 823939785 /nfs/dbraw/zinc/93/97/85/823939785.db2.gz DUSLAEUNHHBCJY-UHFFFAOYSA-N 1 0 380.536 4.117 20 0 GIADRO C[NH+]1CCN(Cc2ccc(C(=O)N3CCC[C@@H]3c3ccccc3Cl)cc2)CC1 ZINC000065088618 823939884 /nfs/dbraw/zinc/93/98/84/823939884.db2.gz TXAUKVVTRMSXIR-JOCHJYFZSA-N 1 0 397.950 4.065 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)N1CCC(c2ccncc2)CC1)c1ccsc1 ZINC000192304211 823940725 /nfs/dbraw/zinc/94/07/25/823940725.db2.gz DCEALEDBKXZPIH-HXUWFJFHSA-N 1 0 386.565 4.115 20 0 GIADRO CC(C)CN(CC[NH+](C)C)C(=O)Nc1cccc(CSC2CCOCC2)c1 ZINC000126746723 823940911 /nfs/dbraw/zinc/94/09/11/823940911.db2.gz TWXILWCZMLCXJV-UHFFFAOYSA-N 1 0 393.597 4.150 20 0 GIADRO CC[N@@H+]1CCC[C@H]1CN(Cc1cnc(C)n1-c1ccccc1)Cc1ccncc1 ZINC000575218614 823942853 /nfs/dbraw/zinc/94/28/53/823942853.db2.gz HICPUTLHQFDLRH-QHCPKHFHSA-N 1 0 389.547 4.062 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@@H](C)c2ccc(OC)c3ccccc32)cn1 ZINC000414255048 823943038 /nfs/dbraw/zinc/94/30/38/823943038.db2.gz UXRKMYDQZIGVES-HKARXFIJSA-N 1 0 379.504 4.493 20 0 GIADRO CCS(=O)(=O)c1cccc(C[NH2+]C[C@H](C)c2ccc(C(F)(F)F)cc2)c1 ZINC000575218014 823943016 /nfs/dbraw/zinc/94/30/16/823943016.db2.gz NGZUNTHXKDUPKO-AWEZNQCLSA-N 1 0 385.451 4.392 20 0 GIADRO Cc1cc(C[NH2+]CCNC(=O)c2ccc(Cl)cc2)c(OC(F)F)cc1C ZINC000462369965 823944994 /nfs/dbraw/zinc/94/49/94/823944994.db2.gz RVZZNWYDGWWIAC-UHFFFAOYSA-N 1 0 382.838 4.078 20 0 GIADRO CC(C)Oc1ccc([C@H]2CCC[C@H]2[NH2+]Cc2ccccc2S(C)(=O)=O)cc1 ZINC000414267171 823946735 /nfs/dbraw/zinc/94/67/35/823946735.db2.gz WJCNCSPKENIBGM-NHCUHLMSSA-N 1 0 387.545 4.303 20 0 GIADRO CC(C)(CC[NH2+][C@@H](Cc1ccccc1Cl)c1cccs1)S(C)(=O)=O ZINC000414268503 823947312 /nfs/dbraw/zinc/94/73/12/823947312.db2.gz UOVWAIAPLAOWLZ-INIZCTEOSA-N 1 0 385.982 4.488 20 0 GIADRO Cc1ccccc1C1(C(=O)Nc2ccc(N(C)C3CC[NH+](C)CC3)cc2)CC1 ZINC000170705068 823947753 /nfs/dbraw/zinc/94/77/53/823947753.db2.gz HAJVYSAUDRRCMS-UHFFFAOYSA-N 1 0 377.532 4.196 20 0 GIADRO Cc1nc(C(=O)Nc2ccccc2C[NH+](C)C)nn1-c1ccccc1C(C)C ZINC000575237830 823948503 /nfs/dbraw/zinc/94/85/03/823948503.db2.gz YWJZHMJLUSKCAZ-UHFFFAOYSA-N 1 0 377.492 4.013 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cnn(-c3ccccc3)c2C(C)C)[C@H](C)C1 ZINC000192334264 823949561 /nfs/dbraw/zinc/94/95/61/823949561.db2.gz NOPMDXHKVZTLCO-YLJYHZDGSA-N 1 0 383.540 4.190 20 0 GIADRO CC(C)c1c(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)cnn1-c1ccccc1 ZINC000192334938 823949977 /nfs/dbraw/zinc/94/99/77/823949977.db2.gz CZHQFFXVOYNJNM-IBGZPJMESA-N 1 0 381.524 4.088 20 0 GIADRO CC(C)Oc1ccc(CC[C@@H](C)[NH2+]Cc2ccc(S(C)(=O)=O)s2)cc1 ZINC000414282332 823950853 /nfs/dbraw/zinc/95/08/53/823950853.db2.gz CRLKMMGKZFMKQX-OAHLLOKOSA-N 1 0 381.563 4.050 20 0 GIADRO Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)N2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000170713374 823951427 /nfs/dbraw/zinc/95/14/27/823951427.db2.gz KEXUDVQGBYHZBU-JTHBVZDNSA-N 1 0 377.532 4.153 20 0 GIADRO CC[C@@H](N[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1nnc2n1CCCCC2 ZINC000575311330 823951801 /nfs/dbraw/zinc/95/18/01/823951801.db2.gz BFMXEUMIIYQNQR-LEWJYISDSA-N 1 0 393.579 4.242 20 0 GIADRO COc1ccccc1C(=O)C(C(=S)Nc1ccc(Cl)nc1)[n+]1ccccc1 ZINC000170715599 823952453 /nfs/dbraw/zinc/95/24/53/823952453.db2.gz TULBZYBLZYQYPF-UHFFFAOYSA-O 1 0 398.895 4.082 20 0 GIADRO CC(C)[C@@H](C)NC(=O)C1CC[NH+](Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000126793052 823952675 /nfs/dbraw/zinc/95/26/75/823952675.db2.gz LZYKEKZHDSLOBA-OAHLLOKOSA-N 1 0 388.943 4.103 20 0 GIADRO C[C@H](C[NH2+][C@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1)CC(F)(F)F ZINC000414295197 823953019 /nfs/dbraw/zinc/95/30/19/823953019.db2.gz ZPHCILWGPZRORT-KKUMJFAQSA-N 1 0 382.426 4.162 20 0 GIADRO COc1ccccc1-c1nc(C2CC[NH+](CCN(C)c3ccccc3)CC2)no1 ZINC000192343502 823954255 /nfs/dbraw/zinc/95/42/55/823954255.db2.gz WZFCASXUVRRVGH-UHFFFAOYSA-N 1 0 392.503 4.061 20 0 GIADRO O=C(C[N@@H+](Cc1ccccc1)CC1CCC1)Nc1ccc2c(c1)OCCCO2 ZINC000065161425 823954518 /nfs/dbraw/zinc/95/45/18/823954518.db2.gz GIXRFSHWUJPQIC-UHFFFAOYSA-N 1 0 380.488 4.089 20 0 GIADRO CS(=O)(=O)c1ccc(C[NH2+]CCCOc2ccc(Cl)cc2Cl)s1 ZINC000414304192 823954686 /nfs/dbraw/zinc/95/46/86/823954686.db2.gz QOFLEKFKGNCVKW-UHFFFAOYSA-N 1 0 394.345 4.017 20 0 GIADRO Cc1ccc(C[N@@H+](CC(=O)N2CCc3[nH]c4ccccc4c3C2)C(C)C)s1 ZINC000065161859 823955082 /nfs/dbraw/zinc/95/50/82/823955082.db2.gz YUNRUXIDHQJEBF-UHFFFAOYSA-N 1 0 381.545 4.333 20 0 GIADRO COc1ccc2c(c1)C[N@@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)CC2 ZINC000065162874 823955817 /nfs/dbraw/zinc/95/58/17/823955817.db2.gz JRLOVBCPFQIIQE-UHFFFAOYSA-N 1 0 379.287 4.389 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCCc2c(O)cccc21)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000192351529 823955970 /nfs/dbraw/zinc/95/59/70/823955970.db2.gz TUUTVIWMBXXRQR-WMLDXEAASA-N 1 0 395.528 4.016 20 0 GIADRO CC(C)(C)C[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)c1ccc(F)cc1 ZINC000414317834 823957252 /nfs/dbraw/zinc/95/72/52/823957252.db2.gz WNSFDFNNEVBDHK-KRWDZBQOSA-N 1 0 398.931 4.394 20 0 GIADRO CS(=O)(=O)CC1(C[NH2+][C@H]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)CCC1 ZINC000414324979 823958433 /nfs/dbraw/zinc/95/84/33/823958433.db2.gz JNOOLWZCPQMHBJ-RDJZCZTQSA-N 1 0 389.483 4.146 20 0 GIADRO C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000192363722 823959520 /nfs/dbraw/zinc/95/95/20/823959520.db2.gz OPFAOPSZMLOYRN-BEFAXECRSA-N 1 0 378.472 4.325 20 0 GIADRO CC(C)OC(=O)c1ccc(Cl)c(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)c1 ZINC000170754147 823962694 /nfs/dbraw/zinc/96/26/94/823962694.db2.gz PHEXCEQJEMGCLZ-UHFFFAOYSA-N 1 0 395.931 4.290 20 0 GIADRO CCc1ncc(CNC[C@@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)cn1 ZINC000414355555 823963951 /nfs/dbraw/zinc/96/39/51/823963951.db2.gz AHVVQBZATAWQON-FXAWDEMLSA-N 1 0 392.469 4.231 20 0 GIADRO CCc1ncc(C[NH2+][C@H]2CCCc3nc(-c4ccc(OC)cc4)sc32)cn1 ZINC000414356091 823964031 /nfs/dbraw/zinc/96/40/31/823964031.db2.gz ZWLQBYIRCRWUTG-KRWDZBQOSA-N 1 0 380.517 4.338 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CSC[C@@H]2CCCCO2)cc1 ZINC000170760367 823964299 /nfs/dbraw/zinc/96/42/99/823964299.db2.gz NVTMHHXDHJXRLY-XLIONFOSSA-N 1 0 376.566 4.302 20 0 GIADRO C[N@H+](Cc1ccccc1NCc1ccc(S(C)(=O)=O)o1)C1CCCCC1 ZINC000414359626 823964967 /nfs/dbraw/zinc/96/49/67/823964967.db2.gz KOUYZFZXKVLACM-UHFFFAOYSA-N 1 0 376.522 4.060 20 0 GIADRO CCOCCOc1cc(C)ccc1C[NH2+]Cc1cn(-c2cccc(F)c2)nc1C ZINC000414374356 823967910 /nfs/dbraw/zinc/96/79/10/823967910.db2.gz CRDCDPVXLDRTFM-UHFFFAOYSA-N 1 0 397.494 4.333 20 0 GIADRO Cc1cc(C(=O)NC2CC[NH+](CCc3c(F)cccc3Cl)CC2)c(C)o1 ZINC000170775531 823968010 /nfs/dbraw/zinc/96/80/10/823968010.db2.gz XALXSSJNCPDXEG-UHFFFAOYSA-N 1 0 378.875 4.126 20 0 GIADRO Cc1cc(C(=O)NC2CC[NH+](CCCOc3ccc(C)c(C)c3)CC2)c(C)o1 ZINC000170775771 823968188 /nfs/dbraw/zinc/96/81/88/823968188.db2.gz NDVSQTZJZBZZKK-UHFFFAOYSA-N 1 0 384.520 4.177 20 0 GIADRO Cc1cc(C[NH+]2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)ccc1C(F)(F)F ZINC000414375898 823968791 /nfs/dbraw/zinc/96/87/91/823968791.db2.gz YLIRKKGAARZPBZ-OAHLLOKOSA-N 1 0 382.470 4.484 20 0 GIADRO Cc1cc([NH+]2CCCCCC2)ccc1N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000575413650 823968853 /nfs/dbraw/zinc/96/88/53/823968853.db2.gz WCULKHAKVSWBAJ-QGZVFWFLSA-N 1 0 387.549 4.196 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)c2cnc(-c3ccccn3)s2)[NH+]2CCCC2)cc1 ZINC000170781691 823970566 /nfs/dbraw/zinc/97/05/66/823970566.db2.gz LBUAXLAGWFYICK-LJQANCHMSA-N 1 0 392.528 4.080 20 0 GIADRO CCC1(CNC(=O)CN(Cc2ccccc2)Cc2ccccc2)CCOCC1 ZINC000575435617 823970836 /nfs/dbraw/zinc/97/08/36/823970836.db2.gz XNFDTEZPLWJRCK-UHFFFAOYSA-N 1 0 380.532 4.012 20 0 GIADRO C[C@@H](c1ccncc1)N(C)C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000126881985 823973123 /nfs/dbraw/zinc/97/31/23/823973123.db2.gz ZONIMDOZCCEQFD-PKOBYXMFSA-N 1 0 386.565 4.319 20 0 GIADRO C[C@H]1[C@H]([NH2+]Cc2ccc(OCc3ccncc3)cc2)CCN1Cc1ccccc1 ZINC000575495478 823974200 /nfs/dbraw/zinc/97/42/00/823974200.db2.gz NFQQNYNXPZNFFJ-NBGIEHNGSA-N 1 0 387.527 4.413 20 0 GIADRO CC(C)(C)n1cc(CNc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)cn1 ZINC000126907057 823978379 /nfs/dbraw/zinc/97/83/79/823978379.db2.gz HOQCVZPTRZZNES-UHFFFAOYSA-N 1 0 397.567 4.455 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc3c2OCCC3)[C@@H]1c1cccs1 ZINC000575636408 823981810 /nfs/dbraw/zinc/98/18/10/823981810.db2.gz NUQUAUANZPITTM-VQIMIIECSA-N 1 0 385.533 4.278 20 0 GIADRO Cc1nn(-c2cccc(F)c2)cc1C[NH+]1CCC2(CC1)OCCc1ccsc12 ZINC000414426991 823982234 /nfs/dbraw/zinc/98/22/34/823982234.db2.gz IJMVEIJBNXUVBA-UHFFFAOYSA-N 1 0 397.519 4.445 20 0 GIADRO Cc1ccc(C(=O)CCC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)cc1C ZINC000126927090 823982867 /nfs/dbraw/zinc/98/28/67/823982867.db2.gz XSNJHBDRPZJVQV-UHFFFAOYSA-N 1 0 393.531 4.036 20 0 GIADRO CC(C)Oc1ccccc1[C@H](C)[NH2+][C@H]1CCCc2c1cnn2-c1ncccn1 ZINC000575734462 823982889 /nfs/dbraw/zinc/98/28/89/823982889.db2.gz UUMGNNSMPGKPJI-LPHOPBHVSA-N 1 0 377.492 4.178 20 0 GIADRO CC(C)C[N@H+](CC(=O)N[C@@H]1CCOc2ccccc21)[C@@H]1CCCc2cccnc21 ZINC000126928675 823983421 /nfs/dbraw/zinc/98/34/21/823983421.db2.gz ZLJREGOSDTZICD-NHCUHLMSSA-N 1 0 393.531 4.057 20 0 GIADRO CC[C@H]1c2ccsc2CCN1C(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000126938601 823985186 /nfs/dbraw/zinc/98/51/86/823985186.db2.gz JBZCUFYRFKXFEQ-NRFANRHFSA-N 1 0 398.572 4.102 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)Nc2cc(C(F)(F)F)ccn2)CC1 ZINC000192422973 823985348 /nfs/dbraw/zinc/98/53/48/823985348.db2.gz VSBVOURDDAIDIQ-UHFFFAOYSA-N 1 0 392.425 4.229 20 0 GIADRO Cc1ccc(CN(CC[NH+]2CCCC2)Cc2ccc(Cl)c(Cl)c2)nn1 ZINC000414438353 823985970 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GIADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)Nc1cc(C(F)(F)F)ccn1 ZINC000192426140 823987927 /nfs/dbraw/zinc/98/79/27/823987927.db2.gz KKLAFNBBJTXLCK-UHFFFAOYSA-N 1 0 378.398 4.018 20 0 GIADRO Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C1(Cc2ccc(F)cc2)CCOCC1 ZINC000414456942 823988431 /nfs/dbraw/zinc/98/84/31/823988431.db2.gz VGZWXINYYXFJHF-UHFFFAOYSA-N 1 0 397.469 4.340 20 0 GIADRO CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000575774453 823991324 /nfs/dbraw/zinc/99/13/24/823991324.db2.gz XMWXBPNIOZCJBN-AVIJNYRZSA-N 1 0 399.556 4.366 20 0 GIADRO COC(=O)[C@@H](C)c1cccc(NCc2ccccc2N(C)C2CC[NH+](C)CC2)c1 ZINC000414481365 823992482 /nfs/dbraw/zinc/99/24/82/823992482.db2.gz BJYUYWWRWVYWGJ-SFHVURJKSA-N 1 0 395.547 4.106 20 0 GIADRO Cn1cc(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)c2ccccc21 ZINC000170860444 823993368 /nfs/dbraw/zinc/99/33/68/823993368.db2.gz LMRKRJKNJWGELN-UHFFFAOYSA-N 1 0 394.494 4.100 20 0 GIADRO C[C@@H]1CC[C@H]([NH2+]CC2(c3ccc(C(F)(F)F)cc3)CC2)[C@@H](n2cncn2)C1 ZINC000575783202 823993622 /nfs/dbraw/zinc/99/36/22/823993622.db2.gz AMGAXAMUXMPMIN-JLSDUUJJSA-N 1 0 378.442 4.348 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]Cc2ccc3c(c2)CCCC3)c1 ZINC000414493359 823994664 /nfs/dbraw/zinc/99/46/64/823994664.db2.gz IITLYMZHZSIBAC-UHFFFAOYSA-N 1 0 377.937 4.302 20 0 GIADRO C[NH+](C)C[C@H]1CCN(C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)C1 ZINC000126985426 823994957 /nfs/dbraw/zinc/99/49/57/823994957.db2.gz PHTJLNGKOWBDDV-MRXNPFEDSA-N 1 0 387.911 4.334 20 0 GIADRO CCOc1cc(C[NH2+][C@@H](CC)c2ccccc2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000414497859 823995797 /nfs/dbraw/zinc/99/57/97/823995797.db2.gz UVEURFANWWJYHO-PXNSSMCTSA-N 1 0 384.520 4.182 20 0 GIADRO COc1cccc2c1CC[C@@H]([NH2+]Cc1ccc(COC3CCOCC3)cc1)C2 ZINC000192446002 823995695 /nfs/dbraw/zinc/99/56/95/823995695.db2.gz GJQDERPDYNYFCW-OAQYLSRUSA-N 1 0 381.516 4.038 20 0 GIADRO CC[N@H+](Cc1ccc(Br)s1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000170872987 823996429 /nfs/dbraw/zinc/99/64/29/823996429.db2.gz SNTGPJYRAJNQGL-UHFFFAOYSA-N 1 0 381.339 4.235 20 0 GIADRO CN(C)C(=O)[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3Br)s2)C1 ZINC000414504557 823996893 /nfs/dbraw/zinc/99/68/93/823996893.db2.gz YIKSNZXKNIVNTI-CYBMUJFWSA-N 1 0 393.350 4.088 20 0 GIADRO CS(=O)(=O)c1ccccc1C[NH2+]CCCCc1cccc(C(F)(F)F)c1 ZINC000414504185 823996976 /nfs/dbraw/zinc/99/69/76/823996976.db2.gz JVYKSEXRTHYWQW-UHFFFAOYSA-N 1 0 385.451 4.221 20 0 GIADRO Cn1c2ccc(C[NH2+]C3(c4ccc(Br)cc4)CC3)cc2sc1=O ZINC000192454231 823997401 /nfs/dbraw/zinc/99/74/01/823997401.db2.gz ZVMYRRWQOAIKSC-UHFFFAOYSA-N 1 0 389.318 4.141 20 0 GIADRO COc1ccc([C@H](C)[NH2+]C[C@@](C)(O)Cc2ccc(OC)c(OC)c2)cc1Cl ZINC000575791857 823997610 /nfs/dbraw/zinc/99/76/10/823997610.db2.gz PGXMPBDIFDORCO-QKKBWIMNSA-N 1 0 393.911 4.010 20 0 GIADRO Fc1ccc(CCN2CCC([NH2+]C[C@H]3CC[C@@H](c4ccccc4)O3)CC2)cc1 ZINC000575792051 823997733 /nfs/dbraw/zinc/99/77/33/823997733.db2.gz UQZMMTXNEZKQDE-RPWUZVMVSA-N 1 0 382.523 4.343 20 0 GIADRO C[C@@H]1C[C@H](C[NH2+]Cc2ccc(Br)c(Br)c2)[C@H](C)O1 ZINC000414510539 823998491 /nfs/dbraw/zinc/99/84/91/823998491.db2.gz FGECZNQKMNWLDC-JFGNBEQYSA-N 1 0 377.120 4.115 20 0 GIADRO O=C(NCCc1c[nH]c2ccccc12)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000170881486 823999232 /nfs/dbraw/zinc/99/92/32/823999232.db2.gz PUQKJFDVDILSCL-IBGZPJMESA-N 1 0 382.552 4.008 20 0 GIADRO CC(C)(CC[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)S(C)(=O)=O ZINC000414515276 823999196 /nfs/dbraw/zinc/99/91/96/823999196.db2.gz LQZABYVOFOWEJJ-UHFFFAOYSA-N 1 0 391.377 4.027 20 0 GIADRO CC(C)(C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1)OCC1CC1 ZINC000414515201 823999460 /nfs/dbraw/zinc/99/94/60/823999460.db2.gz LFARSGGAFUVLGT-UHFFFAOYSA-N 1 0 376.504 4.229 20 0 GIADRO Cc1ncsc1-c1nc(CS[C@H]2CCC[N@H+](Cc3ccccc3)C2)no1 ZINC000575802236 824000007 /nfs/dbraw/zinc/00/00/07/824000007.db2.gz FHECLVHFROPAMV-INIZCTEOSA-N 1 0 386.546 4.399 20 0 GIADRO CC(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000575804836 824000448 /nfs/dbraw/zinc/00/04/48/824000448.db2.gz DIMNJROMPRGYHS-UHFFFAOYSA-N 1 0 394.567 4.060 20 0 GIADRO OCC1([C@@H]([NH2+]Cc2cccc(OC(F)(F)F)c2)c2ccccc2)CCOCC1 ZINC000414522145 824000750 /nfs/dbraw/zinc/00/07/50/824000750.db2.gz AWGCVSXIYPWSDD-IBGZPJMESA-N 1 0 395.421 4.205 20 0 GIADRO C[C@@H]1C[C@H](O)C[N@H+](Cc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)C1 ZINC000414522867 824001281 /nfs/dbraw/zinc/00/12/81/824001281.db2.gz HDYCQAJZHRSWJU-DYVFJYSZSA-N 1 0 393.314 4.448 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N(Cc2cccnc2)C2CC2)cc1 ZINC000170890381 824001515 /nfs/dbraw/zinc/00/15/15/824001515.db2.gz WHSFPUTWARNABG-LJQANCHMSA-N 1 0 392.547 4.330 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2cc(-c3ccsc3)nn2C)C1 ZINC000575809287 824001640 /nfs/dbraw/zinc/00/16/40/824001640.db2.gz MZDZUPZWBZNKFV-QAPCUYQASA-N 1 0 395.532 4.106 20 0 GIADRO CC[C@@H]([NH2+][C@@H]1CCN(C(=O)C2CCCC2)C1)c1cccc(Br)c1 ZINC000127022390 824002002 /nfs/dbraw/zinc/00/20/02/824002002.db2.gz OKLANDCXECMFIX-QZTJIDSGSA-N 1 0 379.342 4.281 20 0 GIADRO Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000575821791 824003321 /nfs/dbraw/zinc/00/33/21/824003321.db2.gz ICIBAFUDSBCYFX-LBPRGKRZSA-N 1 0 382.291 4.028 20 0 GIADRO COc1ccc([C@@H]2CCCN2C(=O)C[NH2+]C2(c3ccccc3)CCC2)cc1OC ZINC000170907211 824003437 /nfs/dbraw/zinc/00/34/37/824003437.db2.gz BCMBSROIRKEEJS-FQEVSTJZSA-N 1 0 394.515 4.036 20 0 GIADRO CCn1c(C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)cc2ccccc21 ZINC000127044066 824006416 /nfs/dbraw/zinc/00/64/16/824006416.db2.gz JTYLXRUUARUVCO-UHFFFAOYSA-N 1 0 391.515 4.118 20 0 GIADRO CCS(=O)(=O)CCC[NH2+]Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000414543605 824006856 /nfs/dbraw/zinc/00/68/56/824006856.db2.gz OCYMPUIPOUKISI-UHFFFAOYSA-N 1 0 376.305 4.168 20 0 GIADRO C[C@@H](c1ccncc1)N(C)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000127050940 824007644 /nfs/dbraw/zinc/00/76/44/824007644.db2.gz ZFWRTNGQBFWQDD-MOPGFXCFSA-N 1 0 380.536 4.216 20 0 GIADRO OCC1([C@H]([NH2+]Cc2cnc(-c3ccco3)s2)c2ccccc2)CCOCC1 ZINC000414547279 824008000 /nfs/dbraw/zinc/00/80/00/824008000.db2.gz ZDKMNLLTHXTPRO-LJQANCHMSA-N 1 0 384.501 4.023 20 0 GIADRO COCCOCc1ccc(C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)cc1 ZINC000414550011 824009100 /nfs/dbraw/zinc/00/91/00/824009100.db2.gz IRXKPMQABICBKR-HSZRJFAPSA-N 1 0 381.516 4.203 20 0 GIADRO Cc1ccc(NC(=O)C[NH2+][C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)c(C)c1 ZINC000575839465 824009172 /nfs/dbraw/zinc/00/91/72/824009172.db2.gz IPPVOVZGWRWIOF-FPOVZHCZSA-N 1 0 389.902 4.069 20 0 GIADRO CSc1ccccc1OC[C@@H](O)C[N@H+](Cc1scnc1C1CC1)C(C)C ZINC000414551025 824009688 /nfs/dbraw/zinc/00/96/88/824009688.db2.gz JLCBQRUSDMJBMD-INIZCTEOSA-N 1 0 392.590 4.393 20 0 GIADRO CC(C)(C)OC(=O)CC[C@@H]1CCC[N@H+](Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000414551123 824009868 /nfs/dbraw/zinc/00/98/68/824009868.db2.gz AWVDQLQSISJFJD-RDJZCZTQSA-N 1 0 380.554 4.329 20 0 GIADRO C[C@H]1CCCC[C@@H]1OCC[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000127077385 824012700 /nfs/dbraw/zinc/01/27/00/824012700.db2.gz JNVHJJUFMUNJDY-JXFKEZNVSA-N 1 0 378.944 4.130 20 0 GIADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)CCC(=O)c2cc(Cl)sc2Cl)C1 ZINC000127082265 824013800 /nfs/dbraw/zinc/01/38/00/824013800.db2.gz ZJGJIIUGLDHWDT-QWRGUYRKSA-N 1 0 377.337 4.007 20 0 GIADRO COc1ccc(C[NH2+][C@H](C)Cc2cn(C)c3ccc(F)cc23)c(OC)c1OC ZINC000414572748 824014410 /nfs/dbraw/zinc/01/44/10/824014410.db2.gz XFUSWYXTOTWWJX-CQSZACIVSA-N 1 0 386.467 4.064 20 0 GIADRO COc1ccc(OC)c([C@H]2CCCN2C(=O)C[NH2+][C@H](c2ccccc2)C2CC2)c1 ZINC000192507156 824014465 /nfs/dbraw/zinc/01/44/65/824014465.db2.gz OWFFTGTZWKYIFL-ZJSXRUAMSA-N 1 0 394.515 4.108 20 0 GIADRO CC[C@@H]([NH2+][C@@H](C)c1cnc(C)s1)c1ccccc1OCC(=O)N1CCCC1 ZINC000127088120 824014588 /nfs/dbraw/zinc/01/45/88/824014588.db2.gz KMSVKNHUWHKKNZ-MAUKXSAKSA-N 1 0 387.549 4.255 20 0 GIADRO CC[C@H]([NH2+][C@H](C)c1cnc(C)s1)c1ccccc1OCC(=O)N1CCCC1 ZINC000127088348 824014687 /nfs/dbraw/zinc/01/46/87/824014687.db2.gz KMSVKNHUWHKKNZ-QAPCUYQASA-N 1 0 387.549 4.255 20 0 GIADRO Cc1cccc(Oc2ccccc2C(=O)N2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000575860346 824014829 /nfs/dbraw/zinc/01/48/29/824014829.db2.gz AMTCBMHCWCTCIQ-CVDCTZTESA-N 1 0 394.515 4.146 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)NCc2ccc(-c3ccco3)cc2F)CC1 ZINC000575869207 824016579 /nfs/dbraw/zinc/01/65/79/824016579.db2.gz NNRWRLMZARTYHO-UHFFFAOYSA-N 1 0 387.499 4.348 20 0 GIADRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)Nc3ccc4c(c3)CCCC4=O)C2)CC1 ZINC000575883134 824019023 /nfs/dbraw/zinc/01/90/23/824019023.db2.gz UEOABXFVHADUND-SFHVURJKSA-N 1 0 383.536 4.181 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)N1CCCCC[C@H]1c1ccncc1)c1ccc(F)cc1 ZINC000127113235 824019981 /nfs/dbraw/zinc/01/99/81/824019981.db2.gz JVZUVFOHDQIFEI-LEWJYISDSA-N 1 0 384.499 4.150 20 0 GIADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C[C@H]21 ZINC000414678622 824023055 /nfs/dbraw/zinc/02/30/55/824023055.db2.gz KWZMONPBHHTXDY-OWYVNGRQSA-N 1 0 395.347 4.315 20 0 GIADRO CN(C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414680375 824023150 /nfs/dbraw/zinc/02/31/50/824023150.db2.gz NAGVADDOFBBTPF-ONXXMXGDSA-N 1 0 395.347 4.471 20 0 GIADRO O=C(C[NH2+]C1(c2ccc(F)cc2)CCOCC1)Nc1ccc(Cl)c(Cl)c1 ZINC000170971266 824023243 /nfs/dbraw/zinc/02/32/43/824023243.db2.gz AJDGHRHXVLELBM-UHFFFAOYSA-N 1 0 397.277 4.367 20 0 GIADRO COc1ccc(-c2ccc(CNC(=O)N3CCC([C@@H]4CCC[NH2+]4)CC3)s2)cc1 ZINC000575900128 824024000 /nfs/dbraw/zinc/02/40/00/824024000.db2.gz IIOPKJDAZFVHRL-FQEVSTJZSA-N 1 0 399.560 4.097 20 0 GIADRO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)cc1 ZINC000414691576 824024101 /nfs/dbraw/zinc/02/41/01/824024101.db2.gz JTKBNAQDLFUIRB-AUUYWEPGSA-N 1 0 385.483 4.078 20 0 GIADRO [NH3+]CCCN(Cc1ccccc1)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000414701486 824024738 /nfs/dbraw/zinc/02/47/38/824024738.db2.gz HLZGDSYLNRVHCV-UHFFFAOYSA-N 1 0 383.826 4.324 20 0 GIADRO CCCOc1ccc(C(F)(F)F)cc1NC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000414712671 824025448 /nfs/dbraw/zinc/02/54/48/824025448.db2.gz TULUEYRNYMNIQV-AEGPPILISA-N 1 0 385.430 4.085 20 0 GIADRO CCCOc1ccc(NC(=O)N2CCC3(CC[NH2+]CC3)CC2)cc1OCCC ZINC000414711345 824025687 /nfs/dbraw/zinc/02/56/87/824025687.db2.gz HOZWITDXDVCHOZ-UHFFFAOYSA-N 1 0 389.540 4.262 20 0 GIADRO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000127143048 824025828 /nfs/dbraw/zinc/02/58/28/824025828.db2.gz CPZMSNOMTQMUPW-BFUOFWGJSA-N 1 0 379.426 4.109 20 0 GIADRO COc1cc(C[N@H+](C)[C@@H]2CCc3ccccc3C2)cc(OC)c1OCC(F)F ZINC000575907064 824025932 /nfs/dbraw/zinc/02/59/32/824025932.db2.gz WBEVOXPCUWLNFM-GOSISDBHSA-N 1 0 391.458 4.337 20 0 GIADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000414723941 824027533 /nfs/dbraw/zinc/02/75/33/824027533.db2.gz DGIMXLIBFYIGSC-CZUORRHYSA-N 1 0 384.446 4.039 20 0 GIADRO [NH3+]C1CCC(NC(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)CC1 ZINC000414726712 824028816 /nfs/dbraw/zinc/02/88/16/824028816.db2.gz LRQIRUJKQZPMTB-UHFFFAOYSA-N 1 0 380.517 4.279 20 0 GIADRO CCCO[C@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2Br)CC1 ZINC000170989436 824029014 /nfs/dbraw/zinc/02/90/14/824029014.db2.gz KCIFJTQLSGTAGC-HNNXBMFYSA-N 1 0 386.330 4.247 20 0 GIADRO CCC[N@H+](CC)C[C@H](C)NC(=O)NCc1ccc(-c2csc(C)n2)s1 ZINC000575916103 824029064 /nfs/dbraw/zinc/02/90/64/824029064.db2.gz PSUGDKXVJXHEBU-ZDUSSCGKSA-N 1 0 380.583 4.100 20 0 GIADRO C[NH2+][C@H]1CCCN(C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)C1 ZINC000414729882 824029170 /nfs/dbraw/zinc/02/91/70/824029170.db2.gz FZXCCBWVMJXRPT-LBPRGKRZSA-N 1 0 399.347 4.256 20 0 GIADRO Cc1ccc(Oc2ccccc2NC(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000414729735 824029272 /nfs/dbraw/zinc/02/92/72/824029272.db2.gz RGRVVNOCTFOCOJ-GOSISDBHSA-N 1 0 395.503 4.007 20 0 GIADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)Nc2ncc(Cc3ccc(C(F)(F)F)cc3)s2)C1 ZINC000414730320 824029503 /nfs/dbraw/zinc/02/95/03/824029503.db2.gz GPIWFMVOVDBGHK-GXTWGEPZSA-N 1 0 398.454 4.002 20 0 GIADRO C[C@H]1CN(C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)CC[C@H]1[NH3+] ZINC000414732054 824029519 /nfs/dbraw/zinc/02/95/19/824029519.db2.gz UIANWWROXGJASE-WMLDXEAASA-N 1 0 380.517 4.088 20 0 GIADRO COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)C3CC[NH+](C4CC4)CC3)s2)cc1 ZINC000192551161 824029586 /nfs/dbraw/zinc/02/95/86/824029586.db2.gz JLVYQGAJTDCOMZ-CQSZACIVSA-N 1 0 399.560 4.179 20 0 GIADRO COc1cccc(C2(C[NH2+][C@H](C)C(=O)Nc3c(F)cccc3F)CCCC2)c1 ZINC000170991647 824030120 /nfs/dbraw/zinc/03/01/20/824030120.db2.gz AYSJLXIGMYTPNR-OAHLLOKOSA-N 1 0 388.458 4.402 20 0 GIADRO COc1cccc(NC(=O)C[C@@H](C)[NH2+]Cc2nc(-c3ccccc3F)cs2)c1 ZINC000575929769 824031068 /nfs/dbraw/zinc/03/10/68/824031068.db2.gz NTWVBAJALQZCRL-CQSZACIVSA-N 1 0 399.491 4.465 20 0 GIADRO CC(C)CC[C@@H](NC(=O)C(=O)Nc1ccc(C[NH3+])cc1)c1ccc(Cl)cc1 ZINC000414741197 824031596 /nfs/dbraw/zinc/03/15/96/824031596.db2.gz RSEDHTMSRYFIKJ-LJQANCHMSA-N 1 0 387.911 4.031 20 0 GIADRO CC(C)(C)[NH2+]CCN1CCC[C@H]1c1nc(-c2ccccc2Br)no1 ZINC000414742475 824031691 /nfs/dbraw/zinc/03/16/91/824031691.db2.gz MJJIPZYUDNYLPV-HNNXBMFYSA-N 1 0 393.329 4.024 20 0 GIADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)C1 ZINC000414742739 824031942 /nfs/dbraw/zinc/03/19/42/824031942.db2.gz UBAXQRICORSJOU-CMPLNLGQSA-N 1 0 399.347 4.290 20 0 GIADRO C[NH2+]C[C@H]1CCN(C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)C1 ZINC000414744942 824032397 /nfs/dbraw/zinc/03/23/97/824032397.db2.gz WVSHZDKWKMXSAY-LLVKDONJSA-N 1 0 399.347 4.114 20 0 GIADRO CCCN(C(=O)Nc1ncc(Cc2ccc(C)c(F)c2)s1)C1CC[NH2+]CC1 ZINC000414752227 824033153 /nfs/dbraw/zinc/03/31/53/824033153.db2.gz UMOUSVWTBFWPPW-UHFFFAOYSA-N 1 0 390.528 4.177 20 0 GIADRO CC[NH2+]Cc1cccc(NC(=O)C(=O)N(CC)[C@H](C)c2cc3ccccc3o2)c1 ZINC000414759745 824033731 /nfs/dbraw/zinc/03/37/31/824033731.db2.gz WYUXDGFDPFLBKJ-MRXNPFEDSA-N 1 0 393.487 4.091 20 0 GIADRO CCC[C@H](NC(=O)C(=O)Nc1ccc(C[NH3+])cc1)c1ccc(Cl)c(Cl)c1 ZINC000414764898 824034206 /nfs/dbraw/zinc/03/42/06/824034206.db2.gz FBXXQVHRDHDROK-KRWDZBQOSA-N 1 0 394.302 4.048 20 0 GIADRO CCCN(C(=O)C(=O)Nc1ccccc1C[NH2+]CC)[C@@H](CC)c1ccccc1 ZINC000414771007 824034683 /nfs/dbraw/zinc/03/46/83/824034683.db2.gz OQVVRLAFBSKMED-NRFANRHFSA-N 1 0 381.520 4.125 20 0 GIADRO CO[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)[C@@H](C[NH3+])C1 ZINC000414775014 824035019 /nfs/dbraw/zinc/03/50/19/824035019.db2.gz BIIOWHWEFWBPKL-NVXWUHKLSA-N 1 0 389.883 4.102 20 0 GIADRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)Nc2cc3c(cc2Cl)OCO3)cc1 ZINC000414777641 824035529 /nfs/dbraw/zinc/03/55/29/824035529.db2.gz DOFIMZIAPAERGG-OAHLLOKOSA-N 1 0 375.856 4.014 20 0 GIADRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)Nc2cc3c(cc2Cl)OCCO3)cc1 ZINC000414785817 824036057 /nfs/dbraw/zinc/03/60/57/824036057.db2.gz LVYRNHSKEFLEAW-MRXNPFEDSA-N 1 0 389.883 4.056 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@@H]1CCCc2cc(N)ccc21 ZINC000414796198 824036895 /nfs/dbraw/zinc/03/68/95/824036895.db2.gz XNIRGHGGOAXJGS-HXUWFJFHSA-N 1 0 396.535 4.189 20 0 GIADRO CC(C)C(=O)Nc1cccc(NC(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)c1 ZINC000414793285 824036938 /nfs/dbraw/zinc/03/69/38/824036938.db2.gz KCTWKOWHKDTINW-HXUWFJFHSA-N 1 0 382.508 4.226 20 0 GIADRO [NH3+]CCC[C@H](NC(=O)Nc1cc2c(cc1Cl)OCCCO2)c1ccccc1 ZINC000414798532 824037303 /nfs/dbraw/zinc/03/73/03/824037303.db2.gz XDJMMFYNVMYWNK-INIZCTEOSA-N 1 0 389.883 4.103 20 0 GIADRO CC[NH2+]CC1CCN(C(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)CC1 ZINC000414796917 824037311 /nfs/dbraw/zinc/03/73/11/824037311.db2.gz YBWHCXOIUWEEHD-UHFFFAOYSA-N 1 0 393.837 4.135 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cc(C(C)C)nc2onc(C)c21 ZINC000171014192 824037572 /nfs/dbraw/zinc/03/75/72/824037572.db2.gz UOGBXQNOTCFONX-UHFFFAOYSA-N 1 0 394.519 4.379 20 0 GIADRO COc1ccc(NC(=O)Nc2ccc([C@H](C)[NH3+])cc2)cc1OCC(F)(F)F ZINC000414807719 824037679 /nfs/dbraw/zinc/03/76/79/824037679.db2.gz CYXXNSNHFPNNGA-NSHDSACASA-N 1 0 383.370 4.300 20 0 GIADRO Cc1ccc(CN(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)C(C)C)s1 ZINC000171016252 824038276 /nfs/dbraw/zinc/03/82/76/824038276.db2.gz FYLWCVJHJJDEED-UHFFFAOYSA-N 1 0 386.565 4.036 20 0 GIADRO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)C2CCCC2)cc1 ZINC000414814151 824038580 /nfs/dbraw/zinc/03/85/80/824038580.db2.gz NINJBWGNHFUQST-JLTOFOAXSA-N 1 0 399.922 4.346 20 0 GIADRO Cc1ccccc1[C@H](NC(=O)C(=O)Nc1ccc(C[NH3+])cc1)[C@@H]1CCC[C@@H](C)C1 ZINC000414825233 824039915 /nfs/dbraw/zinc/03/99/15/824039915.db2.gz CAZVATNGYFROCY-ZWDAVXSWSA-N 1 0 393.531 4.076 20 0 GIADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)Nc2cc(C(C)(C)C)nn2-c2cccc(Cl)c2)C1 ZINC000414827314 824039991 /nfs/dbraw/zinc/03/99/91/824039991.db2.gz BBQRZUXOONKVIV-ZIAGYGMSSA-N 1 0 389.931 4.024 20 0 GIADRO O=C(Nc1cc(Cl)ccc1N1CCCCC1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414824659 824040075 /nfs/dbraw/zinc/04/00/75/824040075.db2.gz REHCUJBRTUXHKZ-IRXDYDNUSA-N 1 0 390.959 4.184 20 0 GIADRO CN(C[C@@H](O)C[NH3+])C(=O)Nc1ccc(-c2ccc(C(C)(C)C)cc2)cc1Cl ZINC000414829142 824040380 /nfs/dbraw/zinc/04/03/80/824040380.db2.gz KFNYKGXEFWKLLC-KRWDZBQOSA-N 1 0 389.927 4.088 20 0 GIADRO CCCCN(C(=O)C(=O)Nc1ccccc1C[NH2+]C)[C@H](CC)c1ccccc1 ZINC000414848763 824041618 /nfs/dbraw/zinc/04/16/18/824041618.db2.gz LCOPXZSUJYGFQP-OAQYLSRUSA-N 1 0 381.520 4.125 20 0 GIADRO CC(C)c1ccc([C@@H](N)C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)cc1 ZINC000414850546 824041642 /nfs/dbraw/zinc/04/16/42/824041642.db2.gz SNKVHPNCFJDJER-QFIPXVFZSA-N 1 0 399.966 4.358 20 0 GIADRO O=C(Nc1ccccc1O)C1CC[NH+](Cc2cc(Cl)cc3cccnc32)CC1 ZINC000192598176 824041805 /nfs/dbraw/zinc/04/18/05/824041805.db2.gz HQVJKMVKIQPAHR-UHFFFAOYSA-N 1 0 395.890 4.445 20 0 GIADRO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)Nc2ccc(SC3CCCC3)cc2)cc1 ZINC000414853246 824042267 /nfs/dbraw/zinc/04/22/67/824042267.db2.gz XHOLSLHJYAMUGV-AWEZNQCLSA-N 1 0 383.517 4.318 20 0 GIADRO CCCNc1ccc(CNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)cc1 ZINC000192599623 824042259 /nfs/dbraw/zinc/04/22/59/824042259.db2.gz FXLUGTLPCFBTFP-UHFFFAOYSA-N 1 0 394.563 4.315 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)Nc1ccccc1OC(F)F ZINC000192599773 824042741 /nfs/dbraw/zinc/04/27/41/824042741.db2.gz LZSHADMFBVIEGJ-UHFFFAOYSA-N 1 0 375.419 4.206 20 0 GIADRO CC[NH2+]Cc1ccccc1NCc1cc(OC)c(OC)cc1Br ZINC000414866683 824043447 /nfs/dbraw/zinc/04/34/47/824043447.db2.gz MGDQZGMNHJGNMN-UHFFFAOYSA-N 1 0 379.298 4.188 20 0 GIADRO CO[C@H]1CCN(C(=O)Nc2ccc(Sc3ccc(C)c(C)c3)cc2)[C@H](C[NH3+])C1 ZINC000414864429 824043461 /nfs/dbraw/zinc/04/34/61/824043461.db2.gz YNQBNAMAVRJRQZ-OALUTQOASA-N 1 0 399.560 4.425 20 0 GIADRO COc1ccc([C@H]2CC[NH2+]C[C@H]2NCc2nc(-c3ccccc3)cs2)cc1 ZINC000414876322 824043877 /nfs/dbraw/zinc/04/38/77/824043877.db2.gz DDAMTVXWOSJTHS-WOJBJXKFSA-N 1 0 379.529 4.054 20 0 GIADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NCc2ncc(-c3ccccc3)s2)cc1 ZINC000414881643 824044686 /nfs/dbraw/zinc/04/46/86/824044686.db2.gz LDVHNIZMJPJVGM-PMACEKPBSA-N 1 0 379.529 4.054 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1coc2ccc(F)cc12 ZINC000575990155 824045117 /nfs/dbraw/zinc/04/51/17/824045117.db2.gz JTWLXKFFSLOKLC-UHFFFAOYSA-N 1 0 382.435 4.029 20 0 GIADRO COc1ccc([C@H]2CC[NH2+]C[C@H]2NCc2cnc(-c3cccs3)s2)cc1 ZINC000414886932 824045478 /nfs/dbraw/zinc/04/54/78/824045478.db2.gz QDPYDUHZHGYRJB-QZTJIDSGSA-N 1 0 385.558 4.116 20 0 GIADRO O=C(c1ccc(C2SCCS2)cc1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000171044548 824046067 /nfs/dbraw/zinc/04/60/67/824046067.db2.gz ACPBFTDDWHFGLP-GOSISDBHSA-N 1 0 376.591 4.256 20 0 GIADRO CCN(CC)C(=O)c1ccc(NC2CC[NH+](CCc3ccc(F)cc3)CC2)cc1 ZINC000192614609 824046232 /nfs/dbraw/zinc/04/62/32/824046232.db2.gz AYNXJDLMSUEJIJ-UHFFFAOYSA-N 1 0 397.538 4.427 20 0 GIADRO CCC(=O)Nc1ccc(Cl)c(NC(=O)N[C@@H](CCC[NH3+])c2ccccc2)c1 ZINC000414892450 824046244 /nfs/dbraw/zinc/04/62/44/824046244.db2.gz PWIXJQVYVRXSEN-KRWDZBQOSA-N 1 0 388.899 4.290 20 0 GIADRO CCCC[C@@H](C[NH3+])NC(=O)Nc1cc(NC(=O)Nc2ccccc2)ccc1C ZINC000414892443 824046308 /nfs/dbraw/zinc/04/63/08/824046308.db2.gz PUTGQUWPLVACOW-SFHVURJKSA-N 1 0 383.496 4.278 20 0 GIADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NCc2csc(-c3ccsc3)n2)cc1 ZINC000414891183 824046314 /nfs/dbraw/zinc/04/63/14/824046314.db2.gz VLKDHJKOYDGUMT-OALUTQOASA-N 1 0 385.558 4.116 20 0 GIADRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000414893023 824046657 /nfs/dbraw/zinc/04/66/57/824046657.db2.gz QSIFVIPDFBPIHL-WBVHZDCISA-N 1 0 395.507 4.088 20 0 GIADRO CN(C(=O)NCC1CCCCCCC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000171047350 824046822 /nfs/dbraw/zinc/04/68/22/824046822.db2.gz JCNDQHORJVHPLH-UHFFFAOYSA-N 1 0 386.584 4.090 20 0 GIADRO Cc1ccc(Br)cc1NC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000414913342 824048982 /nfs/dbraw/zinc/04/89/82/824048982.db2.gz WJJNGQTXTUVPMQ-INIZCTEOSA-N 1 0 376.298 4.359 20 0 GIADRO C[N@H+](CCCCCc1cc(-c2ccccc2)no1)CC(=O)Nc1ccncc1 ZINC000171058230 824050612 /nfs/dbraw/zinc/05/06/12/824050612.db2.gz UDSVOERPDYFIEQ-UHFFFAOYSA-N 1 0 378.476 4.020 20 0 GIADRO CCc1ccccc1NC(=O)C[C@@H](C)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000414936800 824051976 /nfs/dbraw/zinc/05/19/76/824051976.db2.gz HAMFSUJETSMXDQ-UZUQRXQVSA-N 1 0 375.516 4.409 20 0 GIADRO COc1ccc(Cn2nc(C)c(C[NH2+][C@@H]3CCCc4cc(N)ccc43)c2C)cc1 ZINC000414936748 824051994 /nfs/dbraw/zinc/05/19/94/824051994.db2.gz VENGYSQMQJZJPZ-XMMPIXPASA-N 1 0 390.531 4.306 20 0 GIADRO COc1cccc(-c2nn(C(C)(C)C)cc2CN2CC[C@H]([NH+]3CCCC3)[C@H]2C)c1 ZINC000576028521 824053332 /nfs/dbraw/zinc/05/33/32/824053332.db2.gz JEMFVYTVIXLXIV-GCJKJVERSA-N 1 0 396.579 4.372 20 0 GIADRO O=C([C@@H]1CCCc2cccnc21)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000192639242 824053351 /nfs/dbraw/zinc/05/33/51/824053351.db2.gz GMQCSYZWVPPECQ-ZLNRFVROSA-N 1 0 389.543 4.015 20 0 GIADRO C[C@H](c1ccc(F)cc1)[NH+]1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1 ZINC000171065437 824053344 /nfs/dbraw/zinc/05/33/44/824053344.db2.gz XCHOWVYJZSCRCO-HUUCEWRRSA-N 1 0 396.462 4.201 20 0 GIADRO CC[C@@H](c1ccccc1)[NH+]1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)CC1 ZINC000171065602 824053840 /nfs/dbraw/zinc/05/38/40/824053840.db2.gz SIARUDWGFXYXQI-KKSFZXQISA-N 1 0 392.499 4.452 20 0 GIADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)Nc1ccc(Br)cc1C(F)(F)F ZINC000414967720 824055721 /nfs/dbraw/zinc/05/57/21/824055721.db2.gz DIXWWKNAAZHOMI-RNCFNFMXSA-N 1 0 394.235 4.202 20 0 GIADRO CCC([NH3+])(CC)CNC(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1 ZINC000414969224 824055748 /nfs/dbraw/zinc/05/57/48/824055748.db2.gz SNWWOTNIYPVRBI-UHFFFAOYSA-N 1 0 394.947 4.042 20 0 GIADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)Nc2ccc(Br)cc2C(F)(F)F)C1 ZINC000414972300 824055916 /nfs/dbraw/zinc/05/59/16/824055916.db2.gz JUJCROVDMAQQPH-GXSJLCMTSA-N 1 0 394.235 4.107 20 0 GIADRO O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)N1CC[C@H](CC(F)(F)F)C1 ZINC000576039384 824055935 /nfs/dbraw/zinc/05/59/35/824055935.db2.gz VREAUIGFRFJSQM-RTBURBONSA-N 1 0 397.485 4.273 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000007107271 204232500 /nfs/dbraw/zinc/23/25/00/204232500.db2.gz WGFOIXPQCGIURH-UHFFFAOYSA-N 1 0 378.303 4.388 20 0 GIADRO CCc1c(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)[nH]c(C)c1C(C)=O ZINC000071959563 205301082 /nfs/dbraw/zinc/30/10/82/205301082.db2.gz LHDYLKBDTHSQER-MRXNPFEDSA-N 1 0 395.547 4.250 20 0 GIADRO FC(F)(c1cnc(Cl)c(C2CCCCC2)c1)N1CCO[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001164408908 718865839 /nfs/dbraw/zinc/86/58/39/718865839.db2.gz NXPGNDAMIJPAMI-QAPCUYQASA-N 1 0 399.913 4.142 20 0 GIADRO FC(F)(c1nc2cc(Cl)c(Cl)cc2nc1Cl)N1CC[C@@H]2[NH2+]CC[C@@H]21 ZINC001164410677 718874559 /nfs/dbraw/zinc/87/45/59/718874559.db2.gz FYRYXUMRUBIRSP-CABZTGNLSA-N 1 0 393.652 4.076 20 0 GIADRO Fc1ccc(C(F)(F)N2[C@H](C(F)(F)F)CCC23CC[NH2+]CC3)nc1Cl ZINC001164414451 718879816 /nfs/dbraw/zinc/87/98/16/718879816.db2.gz UJJFOQHDXUPJEN-NSHDSACASA-N 1 0 387.755 4.072 20 0 GIADRO Cc1sc2nc(CN3CCCC3)nc(N3CCCCC34CC[NH2+]CC4)c2c1C ZINC001164420740 718910761 /nfs/dbraw/zinc/91/07/61/718910761.db2.gz MCEZWLLSYCSRBN-UHFFFAOYSA-N 1 0 399.608 4.016 20 0 GIADRO Fc1ccc(C(F)(F)N2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)nc1Cl ZINC001164627531 719044674 /nfs/dbraw/zinc/04/46/74/719044674.db2.gz VTMLETFOMHCUHX-RDTXWAMCSA-N 1 0 381.829 4.003 20 0 GIADRO Cc1cc(C(F)(F)N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc(Cl)n1 ZINC001164629920 719071282 /nfs/dbraw/zinc/07/12/82/719071282.db2.gz ZYGVZAHCVKWQOX-SJORKVTESA-N 1 0 392.881 4.084 20 0 GIADRO Clc1ncnc2scc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)c21 ZINC001164626520 719072243 /nfs/dbraw/zinc/07/22/43/719072243.db2.gz OFAMUSDOILYRPV-CVEARBPZSA-N 1 0 384.936 4.446 20 0 GIADRO Clc1ccnc2cc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)ncc12 ZINC001164629520 719075589 /nfs/dbraw/zinc/07/55/89/719075589.db2.gz XUFZTVFASUCXHV-UTKZUKDTSA-N 1 0 378.907 4.384 20 0 GIADRO Cc1nc2c(nc(Cl)nc2N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)s1 ZINC001164622806 719081336 /nfs/dbraw/zinc/08/13/36/719081336.db2.gz IUWJXSDGZHTWMW-JKSUJKDBSA-N 1 0 399.951 4.149 20 0 GIADRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1nc(-c2cccnc2)nc2sc3c(c21)CCCC3 ZINC001164632263 719233434 /nfs/dbraw/zinc/23/34/34/719233434.db2.gz ARTYKPRPSJRHBV-GJZGRUSLSA-N 1 0 393.560 4.161 20 0 GIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ncc(F)c4cc[nH]c42)CC3)cs1 ZINC001164691263 719811769 /nfs/dbraw/zinc/81/17/69/719811769.db2.gz CBYAGEUCWQBLJQ-UHFFFAOYSA-N 1 0 385.512 4.102 20 0 GIADRO Cc1cccc2c1ccnc2N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164697724 719892647 /nfs/dbraw/zinc/89/26/47/719892647.db2.gz OKOBFEHKZCTQCU-UHFFFAOYSA-N 1 0 393.556 4.476 20 0 GIADRO Fc1ccc2ccnc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)c2c1 ZINC001164699289 719892985 /nfs/dbraw/zinc/89/29/85/719892985.db2.gz ZAOFIBZEUWLWBE-UHFFFAOYSA-N 1 0 397.519 4.307 20 0 GIADRO Fc1cccc2c1ccnc2N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164698414 719893334 /nfs/dbraw/zinc/89/33/34/719893334.db2.gz SOMSOCRTXZNFHG-UHFFFAOYSA-N 1 0 397.519 4.307 20 0 GIADRO Cc1nc(Cl)cc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1C ZINC001164697740 719893386 /nfs/dbraw/zinc/89/33/86/719893386.db2.gz PAOSZGIKWBHGQH-UHFFFAOYSA-N 1 0 391.968 4.285 20 0 GIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc3ccccc3cc1Cl)C2 ZINC001164814310 720100728 /nfs/dbraw/zinc/10/07/28/720100728.db2.gz WMGPJXUIAZOIII-XMSQKQJNSA-N 1 0 385.939 4.073 20 0 GIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc3ccc(Cl)cc3n1)C2 ZINC001164811132 720139752 /nfs/dbraw/zinc/13/97/52/720139752.db2.gz LOJBYDJLJKLDKU-XMSQKQJNSA-N 1 0 385.939 4.073 20 0 GIADRO Clc1ccc(-c2ccc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)nn2)cc1 ZINC001164727686 720345445 /nfs/dbraw/zinc/34/54/45/720345445.db2.gz UFSWJNTURBKRSK-LEWJYISDSA-N 1 0 391.906 4.045 20 0 GIADRO Clc1cc(-c2ccnc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c2)ccn1 ZINC001164729899 720354403 /nfs/dbraw/zinc/35/44/03/720354403.db2.gz YUQIDGSOKZBGCA-VQTJNVASSA-N 1 0 391.906 4.045 20 0 GIADRO Fc1ccc2cc(Cl)nc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c2c1 ZINC001164724188 720358249 /nfs/dbraw/zinc/35/82/49/720358249.db2.gz JSVRGIALJZRIQN-RTBURBONSA-N 1 0 382.870 4.276 20 0 GIADRO Cc1ccc2nc(Cl)cc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c2c1 ZINC001164722483 720364573 /nfs/dbraw/zinc/36/45/73/720364573.db2.gz CUOHMAMZPZRVNF-UXHICEINSA-N 1 0 378.907 4.445 20 0 GIADRO Clc1cc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c(-c2ccccc2)nn1 ZINC001164730290 720385615 /nfs/dbraw/zinc/38/56/15/720385615.db2.gz WMMLFOQYUAGXQR-RBUKOAKNSA-N 1 0 391.906 4.045 20 0 GIADRO Clc1ccccc1-c1ccc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)nn1 ZINC001164728311 720409608 /nfs/dbraw/zinc/40/96/08/720409608.db2.gz SXCRSTQOYVSJEO-SFTDATJTSA-N 1 0 391.906 4.045 20 0 GIADRO Cc1cc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)nc2c(Cl)cccc12 ZINC001164726399 720416296 /nfs/dbraw/zinc/41/62/96/720416296.db2.gz BVYGNQBMEJJMCC-UXHICEINSA-N 1 0 378.907 4.445 20 0 GIADRO c1ccc2c(c1)cc(N1CCCC1)nc2N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164735079 720450893 /nfs/dbraw/zinc/45/08/93/720450893.db2.gz VSVMASNQPBHMKA-PKTZIBPZSA-N 1 0 399.542 4.083 20 0 GIADRO CC(C)c1nc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)cc(C(C)(C)C)n1 ZINC001164729322 720456233 /nfs/dbraw/zinc/45/62/33/720456233.db2.gz GYOCSDGEVYTWOO-OALUTQOASA-N 1 0 379.552 4.146 20 0 GIADRO Clc1cc(C2CCCCC2)nc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164724449 720475308 /nfs/dbraw/zinc/47/53/08/720475308.db2.gz GHFBZQGHIKIJNK-VQTJNVASSA-N 1 0 397.954 4.426 20 0 GIADRO Fc1cccc2c(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)cc(Cl)nc12 ZINC001164728241 720477835 /nfs/dbraw/zinc/47/78/35/720477835.db2.gz OOQPZAORGZZQBH-ROUUACIJSA-N 1 0 382.870 4.276 20 0 GIADRO Cc1cc(C(F)(F)N([C@@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)cc(Cl)n1 ZINC001164735999 720542738 /nfs/dbraw/zinc/54/27/38/720542738.db2.gz TZYDOKFOQCCUHV-HNNXBMFYSA-N 1 0 387.902 4.104 20 0 GIADRO Cc1cccc2ccnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)c12 ZINC001164843157 720627392 /nfs/dbraw/zinc/62/73/92/720627392.db2.gz WZTABGTZKNPRJZ-BHIFYINESA-N 1 0 389.547 4.118 20 0 GIADRO Cc1ccc(Cl)c(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164841154 720673425 /nfs/dbraw/zinc/67/34/25/720673425.db2.gz PKSHQIZXYHJZDJ-LJQANCHMSA-N 1 0 385.939 4.303 20 0 GIADRO Cc1cc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc(C(C)C)n1 ZINC001164837647 720712218 /nfs/dbraw/zinc/71/22/18/720712218.db2.gz FNWFDQIJLVGZCN-NRFANRHFSA-N 1 0 394.563 4.168 20 0 GIADRO CCSc1ccnc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164842315 720725063 /nfs/dbraw/zinc/72/50/63/720725063.db2.gz YDYAZSFLVGYTMC-HXUWFJFHSA-N 1 0 397.588 4.454 20 0 GIADRO Cc1cc(C(F)(F)N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)cc(Cl)n1 ZINC001164859939 720924297 /nfs/dbraw/zinc/92/42/97/720924297.db2.gz QOFCHVSJSYBKDJ-CQSZACIVSA-N 1 0 397.901 4.206 20 0 GIADRO Cc1ccc2nc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@H]3C)c(Cl)nc2c1 ZINC001164860479 720954847 /nfs/dbraw/zinc/95/48/47/720954847.db2.gz QBEIDGHVTLIKHI-OAHLLOKOSA-N 1 0 398.942 4.210 20 0 GIADRO Cc1ccc(Cl)nc1C(F)(F)N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001164856351 720978224 /nfs/dbraw/zinc/97/82/24/720978224.db2.gz BRYMDHGMOWMLTE-CQSZACIVSA-N 1 0 397.901 4.206 20 0 GIADRO Cc1cc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)nc(-c2cccs2)n1 ZINC001164864484 721009710 /nfs/dbraw/zinc/00/97/10/721009710.db2.gz XSXUZHPKGXTYNP-MRXNPFEDSA-N 1 0 396.564 4.131 20 0 GIADRO Cc1ccc(C[NH+]2CCC3(CCN(c4nc(C)nc5[nH]ccc54)CC3)CC2)cc1 ZINC001164759987 721042880 /nfs/dbraw/zinc/04/28/80/721042880.db2.gz SPRLTIRDJPNQDZ-UHFFFAOYSA-N 1 0 389.547 4.457 20 0 GIADRO Cc1ccc(C[NH+]2CCC3(CCN(c4ncc5cccnc5n4)CC3)CC2)cc1 ZINC001164760642 721044392 /nfs/dbraw/zinc/04/43/92/721044392.db2.gz ZEZGEWCIFKHXQW-UHFFFAOYSA-N 1 0 387.531 4.216 20 0 GIADRO c1ccc(Cc2nnc(N3CC4(C3)CC[N@@H+](CC3CC3)C4)c3ccccc32)cc1 ZINC001164770510 721296909 /nfs/dbraw/zinc/29/69/09/721296909.db2.gz SSGDDWFRYBKXBM-UHFFFAOYSA-N 1 0 384.527 4.143 20 0 GIADRO CCc1cccc(Oc2nc(Cl)ncc2N2CC3(C2)CC[N@H+](CC2CC2)C3)c1 ZINC001164775054 721302551 /nfs/dbraw/zinc/30/25/51/721302551.db2.gz NLXXINKKAHFTCR-UHFFFAOYSA-N 1 0 398.938 4.407 20 0 GIADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)cc3[nH]ccc31)CC2 ZINC001164793363 721491811 /nfs/dbraw/zinc/49/18/11/721491811.db2.gz QUADIYSRJFSNHA-UHFFFAOYSA-N 1 0 395.938 4.492 20 0 GIADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc3c(n1)CCCC3)CC2 ZINC001164791371 721493888 /nfs/dbraw/zinc/49/38/88/721493888.db2.gz BYPOXOJBDRMEMK-UHFFFAOYSA-N 1 0 376.548 4.236 20 0 GIADRO Cc1cc2ccncc2nc1N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001164795018 721502044 /nfs/dbraw/zinc/50/20/44/721502044.db2.gz ANLQWTXXKZTASD-UHFFFAOYSA-N 1 0 387.531 4.214 20 0 GIADRO Cc1cccc2c1ccnc2N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164906941 721535138 /nfs/dbraw/zinc/53/51/38/721535138.db2.gz LZFYHBDCIOXAFY-ICSRJNTNSA-N 1 0 377.463 4.024 20 0 GIADRO Cc1cc2ccccc2c(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164903019 721545015 /nfs/dbraw/zinc/54/50/15/721545015.db2.gz BVBXAVPINILQOZ-PZJWPPBQSA-N 1 0 377.463 4.024 20 0 GIADRO Cc1cc2ccccc2c(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164903018 721545565 /nfs/dbraw/zinc/54/55/65/721545565.db2.gz BVBXAVPINILQOZ-FPOVZHCZSA-N 1 0 377.463 4.024 20 0 GIADRO Fc1cc(Cl)cnc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164907488 721585283 /nfs/dbraw/zinc/58/52/83/721585283.db2.gz UIVMZSDUTWRCOS-SFHVURJKSA-N 1 0 396.844 4.007 20 0 GIADRO Cc1ccc(Cl)c(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164904318 721692504 /nfs/dbraw/zinc/69/25/04/721692504.db2.gz FNHGHGJCABRRSH-LJQANCHMSA-N 1 0 392.881 4.176 20 0 GIADRO Cc1cc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)ncc1Cl ZINC001164906587 721696046 /nfs/dbraw/zinc/69/60/46/721696046.db2.gz NNVNTNQJLPHBGU-LJQANCHMSA-N 1 0 392.881 4.176 20 0 GIADRO Cc1ccnc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1Cl ZINC001164906665 721700265 /nfs/dbraw/zinc/70/02/65/721700265.db2.gz OGCKRCYVKFLQPU-IBGZPJMESA-N 1 0 392.881 4.176 20 0 GIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccnc(-c4ccccc4)n3)C[C@@H]21 ZINC001165028129 721803807 /nfs/dbraw/zinc/80/38/07/721803807.db2.gz YPNWGCPALSTQCZ-AKIFATBCSA-N 1 0 399.542 4.276 20 0 GIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)cc(C4CC4)n3)C[C@@H]21 ZINC001165027464 721813570 /nfs/dbraw/zinc/81/35/70/721813570.db2.gz UURNLJUDQOUZNH-XKGZKEIXSA-N 1 0 397.954 4.139 20 0 GIADRO Cc1nc(Cl)cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1C ZINC001165025874 721814321 /nfs/dbraw/zinc/81/43/21/721814321.db2.gz OAXYBNSCGRTNEO-IHPCNDPISA-N 1 0 384.955 4.484 20 0 GIADRO CCCSc1cncc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165027067 721826274 /nfs/dbraw/zinc/82/62/74/721826274.db2.gz RPYJVRTVRDBARQ-DFQSSKMNSA-N 1 0 397.592 4.111 20 0 GIADRO CC(C)Sc1ccc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nn1 ZINC001165026198 721827309 /nfs/dbraw/zinc/82/73/09/721827309.db2.gz OHLIEEBYVZPPBD-DFQSSKMNSA-N 1 0 397.592 4.109 20 0 GIADRO Cc1cc(C(C)C)nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165024496 721830427 /nfs/dbraw/zinc/83/04/27/721830427.db2.gz KHIBFWXPXRGTOZ-VCOUNFBDSA-N 1 0 379.552 4.040 20 0 GIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nccc(C)c2Cl)CC1 ZINC001165019234 721840487 /nfs/dbraw/zinc/84/04/87/721840487.db2.gz AOLZECLKHMTJRN-UHFFFAOYSA-N 1 0 389.927 4.161 20 0 GIADRO c1cc(C2OCCCO2)ccc1-c1ccc(N2CC[NH+](C3CCCC3)CC2)nc1 ZINC001165031537 721858668 /nfs/dbraw/zinc/85/86/68/721858668.db2.gz BDJZMALRSAAQHL-UHFFFAOYSA-N 1 0 393.531 4.249 20 0 GIADRO CN(CC1CC[NH+](C)CC1)C(F)(F)c1cc(-c2ccccc2)nnc1Cl ZINC001165043392 721936985 /nfs/dbraw/zinc/93/69/85/721936985.db2.gz VVNVTWAUCZBOPA-UHFFFAOYSA-N 1 0 380.870 4.120 20 0 GIADRO C[NH+](C)CC1CCN(C(F)(F)c2ccc3nc(Cl)nc(Cl)c3c2)CC1 ZINC001165041518 721944493 /nfs/dbraw/zinc/94/44/93/721944493.db2.gz AXEBGINCYKZQLZ-UHFFFAOYSA-N 1 0 389.277 4.260 20 0 GIADRO CSCc1nc2sc3c(c2c(N2CCC(C[NH+](C)C)CC2)n1)CCCC3 ZINC001165045227 721949396 /nfs/dbraw/zinc/94/93/96/721949396.db2.gz NVSSYAMCIUFEQV-UHFFFAOYSA-N 1 0 390.622 4.211 20 0 GIADRO CCOC(=O)c1c(C)nc(Cl)cc1N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001165046464 721968480 /nfs/dbraw/zinc/96/84/80/721968480.db2.gz FRDAYWCZSOVZKX-INIZCTEOSA-N 1 0 379.932 4.065 20 0 GIADRO Clc1ccc(CN2CCCC2)c(N2CCCC[C@H]2CC[NH+]2CCCC2)n1 ZINC001165047075 721971886 /nfs/dbraw/zinc/97/18/86/721971886.db2.gz IKFVNWLLVJAWMD-IBGZPJMESA-N 1 0 376.976 4.176 20 0 GIADRO COc1ccc(OC)c(-c2ccc(N3CCCC[C@H]3CC[NH+]3CCCC3)nn2)c1 ZINC001165050460 721977031 /nfs/dbraw/zinc/97/70/31/721977031.db2.gz YGDPNPOOALMHAV-SFHVURJKSA-N 1 0 396.535 4.006 20 0 GIADRO c1ccc(-c2nccc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)n2)cc1 ZINC001164955814 722013758 /nfs/dbraw/zinc/01/37/58/722013758.db2.gz ZRRRMQSQAKCVQB-UHFFFAOYSA-N 1 0 385.515 4.031 20 0 GIADRO Clc1ccc2ncc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)nc2c1 ZINC001164951774 722016611 /nfs/dbraw/zinc/01/66/11/722016611.db2.gz DMILQALOAGLKJP-UHFFFAOYSA-N 1 0 393.922 4.171 20 0 GIADRO Fc1cccc2c1ccnc2N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164953603 722018887 /nfs/dbraw/zinc/01/88/87/722018887.db2.gz VQCZBBRTVCEYSM-UHFFFAOYSA-N 1 0 376.479 4.261 20 0 GIADRO Clc1ccnc2ccc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)nc12 ZINC001164956111 722020713 /nfs/dbraw/zinc/02/07/13/722020713.db2.gz WNQWEKPNEGYTHX-UHFFFAOYSA-N 1 0 393.922 4.171 20 0 GIADRO Cc1cccc2c1ncnc2N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164992668 722196118 /nfs/dbraw/zinc/19/61/18/722196118.db2.gz AMUCZXAVZXXBDZ-QHCPKHFHSA-N 1 0 376.479 4.322 20 0 GIADRO Cc1nc2cc(F)ccc2c(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164994594 722196352 /nfs/dbraw/zinc/19/63/52/722196352.db2.gz OGXMAWSZFRNYGN-HSZRJFAPSA-N 1 0 394.469 4.461 20 0 GIADRO COc1ccc2c(c1)ncnc2N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164994993 722199536 /nfs/dbraw/zinc/19/95/36/722199536.db2.gz KEYBKJPLDDYHLV-HSZRJFAPSA-N 1 0 392.478 4.022 20 0 GIADRO COc1cccc2cnc(N3CCC[C@@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)nc21 ZINC001164997216 722201076 /nfs/dbraw/zinc/20/10/76/722201076.db2.gz XEWJSOYPSJRJAZ-HSZRJFAPSA-N 1 0 392.478 4.022 20 0 GIADRO C[N@H+](Cc1ccc(N2CC[C@@H](OCC3CC3)[C@H]2Cc2ccccc2)nc1)C1CC1 ZINC001165004566 722272040 /nfs/dbraw/zinc/27/20/40/722272040.db2.gz BPAUMKZUFLRLLV-DNQXCXABSA-N 1 0 391.559 4.292 20 0 GIADRO O[C@H](C[NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F)COCc1ccc(Cl)cc1 ZINC000570509651 823048176 /nfs/dbraw/zinc/04/81/76/823048176.db2.gz ACVSTIOSDMDRIE-DJIMGWMZSA-N 1 0 379.850 4.176 20 0 GIADRO O[C@@H](C[NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F)COCc1ccc(Cl)cc1 ZINC000570509654 823048304 /nfs/dbraw/zinc/04/83/04/823048304.db2.gz ACVSTIOSDMDRIE-HYVNUMGLSA-N 1 0 379.850 4.176 20 0 GIADRO CCCOc1ccc(C[NH2+][C@@H]2CCC[C@H](N3CCCC3=O)C2)c(OCCC)c1 ZINC000570528562 823050326 /nfs/dbraw/zinc/05/03/26/823050326.db2.gz DHQMLPLKEUPBCK-UXHICEINSA-N 1 0 388.552 4.287 20 0 GIADRO CCc1ccc(C[NH2+]C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)o1 ZINC000187379409 823052701 /nfs/dbraw/zinc/05/27/01/823052701.db2.gz VAFHLEIIMHWKAA-UHFFFAOYSA-N 1 0 380.410 4.255 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)CCOc3cccc(C)c3)C2)s1 ZINC000570553120 823053404 /nfs/dbraw/zinc/05/34/04/823053404.db2.gz IICMFXVTPMZIFF-IBGZPJMESA-N 1 0 386.561 4.114 20 0 GIADRO CCC(CC)([NH2+]C[C@@H](O)COC1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000120734660 823054482 /nfs/dbraw/zinc/05/44/82/823054482.db2.gz LJCUZRRPIHAHKK-OAHLLOKOSA-N 1 0 390.351 4.155 20 0 GIADRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)c1cc(F)c(Cl)nc1Cl)C1CC1 ZINC000187389618 823054590 /nfs/dbraw/zinc/05/45/90/823054590.db2.gz RWEYHLFCAUOWTR-INIZCTEOSA-N 1 0 396.293 4.168 20 0 GIADRO C[C@@H]([NH2+]CC1([C@H](O)c2ccccc2)CC1)c1ncc(Br)cc1F ZINC000187393379 823054971 /nfs/dbraw/zinc/05/49/71/823054971.db2.gz HHNPUJFMFKAYBF-SJKOYZFVSA-N 1 0 379.273 4.148 20 0 GIADRO C[C@@H]([NH2+]CCc1cc(F)cc2c1OCOC2)c1ccc(F)cc1OC(F)F ZINC000120759262 823058434 /nfs/dbraw/zinc/05/84/34/823058434.db2.gz HNIMEBPCRKFALT-LLVKDONJSA-N 1 0 385.357 4.326 20 0 GIADRO CC(C)(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000570563763 823055506 /nfs/dbraw/zinc/05/55/06/823055506.db2.gz YUZKUTIDXHDAPX-INIZCTEOSA-N 1 0 391.437 4.124 20 0 GIADRO CC(C)(C)OC(=O)N1CCC(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000120759406 823058598 /nfs/dbraw/zinc/05/85/98/823058598.db2.gz ZAEAEHOQHCZUTL-FPOVZHCZSA-N 1 0 388.552 4.391 20 0 GIADRO CC(C)(C)OC(=O)N1CCC(C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000120759825 823058695 /nfs/dbraw/zinc/05/86/95/823058695.db2.gz ZAEAEHOQHCZUTL-TZIWHRDSSA-N 1 0 388.552 4.391 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1)c1ncc(Br)cc1F ZINC000187407345 823057225 /nfs/dbraw/zinc/05/72/25/823057225.db2.gz QJAZYQJRLZPERZ-RMLUDKJBSA-N 1 0 391.643 4.160 20 0 GIADRO C[C@H]1CCc2ccccc2[C@H]1NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458569190 823057475 /nfs/dbraw/zinc/05/74/75/823057475.db2.gz BOKVHDUEPKNODZ-KXBFYZLASA-N 1 0 397.485 4.368 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1nc(C(C)C)ncc1Cl ZINC000120754706 823057614 /nfs/dbraw/zinc/05/76/14/823057614.db2.gz OYMSPCQOGSGMTE-UHFFFAOYSA-N 1 0 390.915 4.226 20 0 GIADRO C[C@H](NC(=O)N1CC[C@H](c2c(F)cccc2F)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000187410964 823058193 /nfs/dbraw/zinc/05/81/93/823058193.db2.gz MKYYGGCPIDZFTB-ULQDDVLXSA-N 1 0 391.506 4.117 20 0 GIADRO c1[nH]c(C[NH2+]C2(c3ccc4c(c3)OCCO4)CCCC2)nc1-c1ccccc1 ZINC000187411463 823058207 /nfs/dbraw/zinc/05/82/07/823058207.db2.gz KDIUSFDAODGJMW-UHFFFAOYSA-N 1 0 375.472 4.407 20 0 GIADRO CN(Cc1cccs1)C(=O)C[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1 ZINC000175863183 823058359 /nfs/dbraw/zinc/05/83/59/823058359.db2.gz GEOJKTBXIKBXEP-AEFFLSMTSA-N 1 0 392.590 4.136 20 0 GIADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCc3cccc(Cl)c3C2)CC1 ZINC000458586171 823059722 /nfs/dbraw/zinc/05/97/22/823059722.db2.gz VNBNZDHJOGAARU-MRXNPFEDSA-N 1 0 398.938 4.028 20 0 GIADRO C[C@H](C[C@@H](O)c1ccco1)[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000120767277 823060150 /nfs/dbraw/zinc/06/01/50/823060150.db2.gz XMBIUSYQVWTASV-GQIGUUNPSA-N 1 0 391.533 4.159 20 0 GIADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N(C)[C@@H](C)Cc2cccc(F)c2)CC1 ZINC000458588530 823060183 /nfs/dbraw/zinc/06/01/83/823060183.db2.gz XARLTMSIBFBJKV-ZWKOTPCHSA-N 1 0 398.526 4.019 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)NCC2(c3ccc(F)cc3)CC2)CC1 ZINC000175874634 823061101 /nfs/dbraw/zinc/06/11/01/823061101.db2.gz BYMROZOMEHIHOS-UHFFFAOYSA-N 1 0 395.522 4.163 20 0 GIADRO Cc1cnc([C@@H](NC(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)C2CC2)s1 ZINC000175874231 823061186 /nfs/dbraw/zinc/06/11/86/823061186.db2.gz PAYBRKIUCYPEQS-UZLBHIALSA-N 1 0 398.576 4.209 20 0 GIADRO O=C(CC[N@@H+]1CC[C@@H](Cc2ccccc2)C1)Nc1ccccc1Br ZINC000570613105 823062122 /nfs/dbraw/zinc/06/21/22/823062122.db2.gz FASDUWXASYBLCK-KRWDZBQOSA-N 1 0 387.321 4.342 20 0 GIADRO CCO[C@@H](C)c1noc(C[NH2+]C(C)(C)Cc2ccc(Br)cc2)n1 ZINC000120785217 823063643 /nfs/dbraw/zinc/06/36/43/823063643.db2.gz NWNOWIHCFRHTNW-LBPRGKRZSA-N 1 0 382.302 4.041 20 0 GIADRO COc1cc([C@@H](C)[NH2+]CC(C)(C)c2cccc(C)c2)ccc1S(C)(=O)=O ZINC000120804115 823067620 /nfs/dbraw/zinc/06/76/20/823067620.db2.gz GIMONQTXTUJPMQ-MRXNPFEDSA-N 1 0 375.534 4.036 20 0 GIADRO C[N@H+](CCC(=O)N1CCc2sccc2C1)Cc1ccccc1C(F)(F)F ZINC000055901103 823063982 /nfs/dbraw/zinc/06/39/82/823063982.db2.gz DGVJGHNFKRCCEI-UHFFFAOYSA-N 1 0 382.451 4.174 20 0 GIADRO Cc1cc(F)ccc1[C@H]1CCCN1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000458616047 823064075 /nfs/dbraw/zinc/06/40/75/823064075.db2.gz RRHGYPKJVAILIE-JOCHJYFZSA-N 1 0 396.510 4.292 20 0 GIADRO Cc1ccc(OC2CC[NH+](CCC(=O)N3CCc4sccc4C3)CC2)cc1C ZINC000055904082 823064740 /nfs/dbraw/zinc/06/47/40/823064740.db2.gz UMRLLKWLDXJRTI-UHFFFAOYSA-N 1 0 398.572 4.183 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)NCCCC(C)(F)F)c1cccc(C(F)(F)F)c1 ZINC000458634768 823067739 /nfs/dbraw/zinc/06/77/39/823067739.db2.gz DMTDAHPIWGMKDN-CQSZACIVSA-N 1 0 381.389 4.043 20 0 GIADRO COc1ccc(C[N@@H+](Cc2ccccc2)C[C@H](C)O)c(OCc2cccnc2)c1 ZINC000570638514 823065351 /nfs/dbraw/zinc/06/53/51/823065351.db2.gz JONDZGPEDIYUJS-IBGZPJMESA-N 1 0 392.499 4.052 20 0 GIADRO C[C@@H](NC(=O)N1CCc2cccc(Cl)c2C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000458629248 823066486 /nfs/dbraw/zinc/06/64/86/823066486.db2.gz IWSTVLXYXANNPJ-NVXWUHKLSA-N 1 0 375.944 4.061 20 0 GIADRO C[C@H](NC(=O)N1CCC[C@@H]1c1ccc(F)cc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000458632431 823067296 /nfs/dbraw/zinc/06/72/96/823067296.db2.gz NLHAAAKGNMBMBD-CKJXQJPGSA-N 1 0 391.506 4.464 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc3c(c2)CCCO3)[C@@H]1c1cccs1 ZINC000175903419 823068261 /nfs/dbraw/zinc/06/82/61/823068261.db2.gz KWFILZWVICGNJH-OXQOHEQNSA-N 1 0 385.533 4.278 20 0 GIADRO Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000570658960 823068350 /nfs/dbraw/zinc/06/83/50/823068350.db2.gz NYKUHVGSULAXBV-CYBMUJFWSA-N 1 0 396.318 4.419 20 0 GIADRO C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000055934372 823068458 /nfs/dbraw/zinc/06/84/58/823068458.db2.gz NYUBUEOATNMTNE-HNNXBMFYSA-N 1 0 385.474 4.086 20 0 GIADRO CN(C(=O)N[C@@H]1CCCc2sccc21)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458644843 823068735 /nfs/dbraw/zinc/06/87/35/823068735.db2.gz MUECQGBVJSKWED-OAHLLOKOSA-N 1 0 389.487 4.184 20 0 GIADRO C[C@H](Cc1cccc(F)c1)N(C)C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000458644506 823068891 /nfs/dbraw/zinc/06/88/91/823068891.db2.gz XVOULGFBFKWTNL-ZIFCJYIRSA-N 1 0 375.532 4.051 20 0 GIADRO CCN(CC)C(=O)CCC1CC[NH+](Cc2nc3ccc(OC)cc3s2)CC1 ZINC000187469271 823069249 /nfs/dbraw/zinc/06/92/49/823069249.db2.gz PVOZXGDGNPVBQW-UHFFFAOYSA-N 1 0 389.565 4.166 20 0 GIADRO CCOc1ccccc1[C@H](CC)NC(=O)C[NH2+][C@@H](c1ncccc1C)C(C)C ZINC000120814041 823069543 /nfs/dbraw/zinc/06/95/43/823069543.db2.gz NQZYQYKIVGUSAG-SIKLNZKXSA-N 1 0 383.536 4.343 20 0 GIADRO Cc1ccccc1C[C@@H](C)NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000175907472 823069554 /nfs/dbraw/zinc/06/95/54/823069554.db2.gz LYEPEVVOALWUQF-HXUWFJFHSA-N 1 0 379.548 4.232 20 0 GIADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000570671316 823070121 /nfs/dbraw/zinc/07/01/21/823070121.db2.gz CLGHIJKGDJQFDF-MSOLQXFVSA-N 1 0 384.524 4.355 20 0 GIADRO c1sc(CCc2ccccc2)nc1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000175911032 823070643 /nfs/dbraw/zinc/07/06/43/823070643.db2.gz KXUAPKCWUGGCNA-UHFFFAOYSA-N 1 0 399.604 4.005 20 0 GIADRO Cc1ccc(NC(=O)CC[NH2+]Cc2cccc(NC(=O)C3CCCCC3)c2)nc1 ZINC000570675242 823070871 /nfs/dbraw/zinc/07/08/71/823070871.db2.gz ANDVVEUWPMBOGC-UHFFFAOYSA-N 1 0 394.519 4.027 20 0 GIADRO C[C@H](C(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1)C1CCOCC1 ZINC000570684206 823071523 /nfs/dbraw/zinc/07/15/23/823071523.db2.gz ABAOKRJIXULKNT-KRWDZBQOSA-N 1 0 376.566 4.266 20 0 GIADRO O=C(Nc1ccc2c(c1)C[NH2+]CCO2)N(CCc1cccc(F)c1)C1CCCC1 ZINC000570692079 823072568 /nfs/dbraw/zinc/07/25/68/823072568.db2.gz HCGQJRFPKKOSSM-UHFFFAOYSA-N 1 0 397.494 4.327 20 0 GIADRO Cc1cc(Br)cc(NC(=O)N2CCC(CCC[NH+](C)C)CC2)c1 ZINC000187493233 823074423 /nfs/dbraw/zinc/07/44/23/823074423.db2.gz FJUUQBOVBBKQJM-UHFFFAOYSA-N 1 0 382.346 4.343 20 0 GIADRO Cc1cccc(NC(=O)NCc2ccc(C[NH+](C)C)cc2)c1Br ZINC000120844245 823075481 /nfs/dbraw/zinc/07/54/81/823075481.db2.gz OITQTAAJEKBYQH-UHFFFAOYSA-N 1 0 376.298 4.141 20 0 GIADRO COc1ccc2oc([C@@H](C)NCc3ccncc3OCCC[NH+](C)C)c(C)c2c1 ZINC000570719831 823075571 /nfs/dbraw/zinc/07/55/71/823075571.db2.gz SSDVVSCACSLULU-QGZVFWFLSA-N 1 0 397.519 4.326 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)N[C@H]1CCCc2ccc(F)cc21 ZINC000458720745 823078026 /nfs/dbraw/zinc/07/80/26/823078026.db2.gz WIRVOEKANUOTOX-IBGZPJMESA-N 1 0 375.513 4.038 20 0 GIADRO COc1ccc(OCc2ccccn2)c(CNC[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000120860899 823078784 /nfs/dbraw/zinc/07/87/84/823078784.db2.gz ZQWCULKJTZZPLX-FQEVSTJZSA-N 1 0 397.563 4.127 20 0 GIADRO CSc1ccccc1[C@@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000458730644 823079309 /nfs/dbraw/zinc/07/93/09/823079309.db2.gz OYCIMQOVWXKQQN-OAHLLOKOSA-N 1 0 377.579 4.304 20 0 GIADRO Cc1ccc([C@H](CNC(=O)CCc2nc3c(cccc3C)[nH]2)[NH+]2CCCC2)cc1 ZINC000175947494 823079720 /nfs/dbraw/zinc/07/97/20/823079720.db2.gz WBQBZZOVTRPQBM-NRFANRHFSA-N 1 0 390.531 4.066 20 0 GIADRO O=C(CCCc1csc2ccccc12)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000175956309 823081699 /nfs/dbraw/zinc/08/16/99/823081699.db2.gz BBSADEUDKKSKOA-UHFFFAOYSA-N 1 0 393.556 4.400 20 0 GIADRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cccc(OCc4ccccc4F)c3)[C@@H]2C1 ZINC000570756047 823081738 /nfs/dbraw/zinc/08/17/38/823081738.db2.gz PHGVIMFFKNNTPL-KWOQKUFVSA-N 1 0 396.506 4.141 20 0 GIADRO C[C@@H]1CCC[C@H](CNC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)[C@H]1C ZINC000458749582 823081207 /nfs/dbraw/zinc/08/12/07/823081207.db2.gz TUNPZFLPBDNJNT-OWCLPIDISA-N 1 0 377.495 4.117 20 0 GIADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)N(C)[C@H]1C[C@H](c2cccc(OC)c2)C1)c1ccco1 ZINC000458750212 823081360 /nfs/dbraw/zinc/08/13/60/823081360.db2.gz BGYKGWVHJNWKCM-WBKMXMRLSA-N 1 0 399.535 4.305 20 0 GIADRO CN(C(=O)NCC1CC(c2ccccc2)C1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458762233 823082516 /nfs/dbraw/zinc/08/25/16/823082516.db2.gz JPMVTNWYHMCOBO-UHFFFAOYSA-N 1 0 397.485 4.238 20 0 GIADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)N1[C@H](C)[C@H](CC(F)(F)F)C[C@@H]1C)c1ccco1 ZINC000458767051 823082923 /nfs/dbraw/zinc/08/29/23/823082923.db2.gz LLYHAOSRAUNDCU-QMHWVQJVSA-N 1 0 389.462 4.470 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cc(Br)c(C)cc1C ZINC000187534026 823083676 /nfs/dbraw/zinc/08/36/76/823083676.db2.gz HYAARDJQUQECEY-CABCVRRESA-N 1 0 380.330 4.156 20 0 GIADRO C[C@H](O)C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000570785430 823087178 /nfs/dbraw/zinc/08/71/78/823087178.db2.gz VHJQZJUGQPALBT-UGKGYDQZSA-N 1 0 396.531 4.220 20 0 GIADRO CC[C@@H](C)[NH2+][C@H](CNC(=O)N1CC(c2ccc(Cl)cc2)C1)c1ccco1 ZINC000458780504 823084674 /nfs/dbraw/zinc/08/46/74/823084674.db2.gz VGOAFNKJZOYTDE-RDTXWAMCSA-N 1 0 375.900 4.171 20 0 GIADRO c1cc(-c2ncc(C[NH+]3CCC(c4nnc5ccccn54)CC3)s2)cs1 ZINC000120909699 823085386 /nfs/dbraw/zinc/08/53/86/823085386.db2.gz KALQXBJPLZRDQX-UHFFFAOYSA-N 1 0 381.530 4.294 20 0 GIADRO CCC[N@H+](C)[C@H](CNC(=O)N(C)Cc1cccc(C)n1)c1ccc(Cl)cc1 ZINC000458789390 823085866 /nfs/dbraw/zinc/08/58/66/823085866.db2.gz ZAUDVWBIWYRPHM-HXUWFJFHSA-N 1 0 388.943 4.268 20 0 GIADRO COc1ccc(O)cc1C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000187546754 823086454 /nfs/dbraw/zinc/08/64/54/823086454.db2.gz KNVGMWDQDCILJB-UHFFFAOYSA-N 1 0 390.483 4.059 20 0 GIADRO O=C(CC[NH2+]C1(c2ccccc2)CCOCC1)Nc1ccccc1C(F)(F)F ZINC000570779942 823086453 /nfs/dbraw/zinc/08/64/53/823086453.db2.gz LOTFORVZNKFQGA-UHFFFAOYSA-N 1 0 392.421 4.330 20 0 GIADRO O=C(c1ccc(C[NH2+][C@@H]2CC[C@H](c3cccc(Cl)c3)C2)cc1)N1CCOCC1 ZINC000570781901 823086458 /nfs/dbraw/zinc/08/64/58/823086458.db2.gz UCMORPOCSSCNCW-RBBKRZOGSA-N 1 0 398.934 4.238 20 0 GIADRO Cc1cc2c(cc1C)[C@H]([NH2+]Cc1cnc(N3CCOCC3)c(F)c1)CCS2 ZINC000187552996 823087234 /nfs/dbraw/zinc/08/72/34/823087234.db2.gz OLNSYHSIBAYQEU-LJQANCHMSA-N 1 0 387.524 4.001 20 0 GIADRO C[C@@H]([NH2+]C[C@](C)(O)c1ccccc1Cl)c1ncc(Br)cc1F ZINC000187553807 823087557 /nfs/dbraw/zinc/08/75/57/823087557.db2.gz JVGZXJVOUNHEGZ-HWPZZCPQSA-N 1 0 387.680 4.195 20 0 GIADRO C[C@H]([NH2+]C[C@@](C)(O)c1cccc(Cl)c1)c1ncc(Br)cc1F ZINC000187554070 823087610 /nfs/dbraw/zinc/08/76/10/823087610.db2.gz NUNLEFKSEYRFOG-MGPLVRAMSA-N 1 0 387.680 4.195 20 0 GIADRO O=C(Nc1ccc2c(c1)CCC2)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000570825135 823092231 /nfs/dbraw/zinc/09/22/31/823092231.db2.gz HOJPZFLRVDXDMV-FGZHOGPDSA-N 1 0 375.516 4.161 20 0 GIADRO CCc1nnc(-c2ccc(NC(=O)NCCCC[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)o1 ZINC000176000152 823092334 /nfs/dbraw/zinc/09/23/34/823092334.db2.gz VKIGBJPCNYKWAQ-IAGOWNOFSA-N 1 0 399.539 4.179 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]Cc2ccc(Cl)cc2F)c1 ZINC000187582003 823092341 /nfs/dbraw/zinc/09/23/41/823092341.db2.gz LUKIFNLVQJQCRC-GFCCVEGCSA-N 1 0 380.847 4.003 20 0 GIADRO CCOc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(OC)c(OC)cc1C ZINC000056153901 823090399 /nfs/dbraw/zinc/09/03/99/823090399.db2.gz ZUQPRZNCEGOTKS-JKSUJKDBSA-N 1 0 386.492 4.089 20 0 GIADRO CCc1ccccc1OCCC(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000570811976 823090601 /nfs/dbraw/zinc/09/06/01/823090601.db2.gz WOIKJEXJXAARLO-KNQAVFIVSA-N 1 0 380.532 4.045 20 0 GIADRO COCc1cc([C@H](C)[NH2+]Cc2ccc(Br)cc2OC)ccc1OC ZINC000187573447 823090743 /nfs/dbraw/zinc/09/07/43/823090743.db2.gz INYJQJZISNNJRN-ZDUSSCGKSA-N 1 0 394.309 4.464 20 0 GIADRO COc1ccc(OC(C)C)c(NC(=O)N(CC[NH+](C)C)Cc2cccs2)c1 ZINC000175994410 823090805 /nfs/dbraw/zinc/09/08/05/823090805.db2.gz FOALZHDUKHTESD-UHFFFAOYSA-N 1 0 391.537 4.140 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccccc2Br)cc1 ZINC000120944698 823090893 /nfs/dbraw/zinc/09/08/93/823090893.db2.gz WXNBWGCVPUKOIH-CYBMUJFWSA-N 1 0 397.338 4.062 20 0 GIADRO CCCOc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccnc2Cl)cc1OC ZINC000056161920 823092875 /nfs/dbraw/zinc/09/28/75/823092875.db2.gz HFEGNHHPYFGJMP-KBPBESRZSA-N 1 0 391.899 4.210 20 0 GIADRO COc1ccc(-c2csc3ncnc(N4CC[C@H]([NH+]5CCCC5)[C@H]4C)c23)cc1 ZINC000570834224 823093345 /nfs/dbraw/zinc/09/33/45/823093345.db2.gz GARAYIBXCIRSPD-BEFAXECRSA-N 1 0 394.544 4.430 20 0 GIADRO Cc1ccc(-c2nc(NC(=O)[C@@H]([NH2+]C3CCOCC3)C(C)C)sc2C)s1 ZINC000176006922 823094105 /nfs/dbraw/zinc/09/41/05/823094105.db2.gz ROBDHTVWPKVFHA-INIZCTEOSA-N 1 0 393.578 4.220 20 0 GIADRO C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000176021292 823097759 /nfs/dbraw/zinc/09/77/59/823097759.db2.gz NQCGONLMFNNPKV-MRXNPFEDSA-N 1 0 377.960 4.319 20 0 GIADRO Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000570843212 823094205 /nfs/dbraw/zinc/09/42/05/823094205.db2.gz OLEPAFOACGPMTK-OXQOHEQNSA-N 1 0 375.472 4.043 20 0 GIADRO O=C(NCc1ccccc1)C1CC[NH+](Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000120965717 823094314 /nfs/dbraw/zinc/09/43/14/823094314.db2.gz ZHJPQQOYYKGSAX-UHFFFAOYSA-N 1 0 392.421 4.114 20 0 GIADRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)CCCc2ccc(Br)s2)CC1 ZINC000570841234 823094291 /nfs/dbraw/zinc/09/42/91/823094291.db2.gz DBDYKNWMIYNKBW-QGZVFWFLSA-N 1 0 399.398 4.070 20 0 GIADRO Cc1nc(COc2ccc(C[N@@H+]3CC[C@H](c4c(F)cccc4F)C3)cc2)no1 ZINC000187595517 823094619 /nfs/dbraw/zinc/09/46/19/823094619.db2.gz UUWOMGYINRUBFW-INIZCTEOSA-N 1 0 385.414 4.225 20 0 GIADRO O=C(NCC[C@H](c1ccccc1)C(F)(F)F)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000458853968 823097887 /nfs/dbraw/zinc/09/78/87/823097887.db2.gz WTDRUPPEXUDLCU-RTBURBONSA-N 1 0 397.485 4.383 20 0 GIADRO O=C(NCC[C@@H](c1ccccc1)C(F)(F)F)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000458837495 823095401 /nfs/dbraw/zinc/09/54/01/823095401.db2.gz GEMOJLLAQIOXIR-IBGZPJMESA-N 1 0 397.485 4.383 20 0 GIADRO CCc1nnc(-c2ccc(NC(=O)NCC(C)(C)[N@@H+]3CCC[C@@H](CC)C3)cc2)o1 ZINC000176013984 823095939 /nfs/dbraw/zinc/09/59/39/823095939.db2.gz NSXMQMHQSNSXBF-MRXNPFEDSA-N 1 0 399.539 4.321 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)Nc2cnn(-c3ccccc3)c2)CC1 ZINC000176014221 823095962 /nfs/dbraw/zinc/09/59/62/823095962.db2.gz HUFGWVYHQFQJSU-UHFFFAOYSA-N 1 0 389.503 4.001 20 0 GIADRO CC[C@H](C)[NH2+][C@H](CNC(=O)c1cc2ccc(OC)cc2nc1C)c1ccco1 ZINC000570855684 823096223 /nfs/dbraw/zinc/09/62/23/823096223.db2.gz XXMBFONBKRQKJZ-VBKZILBWSA-N 1 0 381.476 4.004 20 0 GIADRO CCc1nnc(-c2ccc(NC(=O)NC3CC[NH+](C4CCCCC4)CC3)cc2)o1 ZINC000176023298 823098206 /nfs/dbraw/zinc/09/82/06/823098206.db2.gz LRGBSZDLKSFVDQ-UHFFFAOYSA-N 1 0 397.523 4.218 20 0 GIADRO CN(CCCOc1ccc(Cl)cc1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000176015693 823096447 /nfs/dbraw/zinc/09/64/47/823096447.db2.gz NEHYVYQPVIFEDW-UHFFFAOYSA-N 1 0 393.959 4.157 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1cccc(C(F)(F)F)c1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000120982200 823097079 /nfs/dbraw/zinc/09/70/79/823097079.db2.gz ZLYMMOMRVXEBBA-VXGBXAGGSA-N 1 0 380.366 4.112 20 0 GIADRO COc1cccc(C[NH2+][C@@H](C)CC(=O)Nc2ccccc2C(F)(F)F)c1OC ZINC000121011759 823102687 /nfs/dbraw/zinc/10/26/87/823102687.db2.gz FMDBMPKOHQBCQS-ZDUSSCGKSA-N 1 0 396.409 4.230 20 0 GIADRO CSC1(CNC(=O)N[C@H](Cc2ccccc2)c2ccccc2)CC[NH+](C)CC1 ZINC000570866918 823098700 /nfs/dbraw/zinc/09/87/00/823098700.db2.gz HTDXLUDYZWNHGG-OAQYLSRUSA-N 1 0 397.588 4.097 20 0 GIADRO C/C(=C\c1ccccc1OC(F)F)C[NH2+]C1CCN(c2nccs2)CC1 ZINC000570888764 823102766 /nfs/dbraw/zinc/10/27/66/823102766.db2.gz BIXURVBQCLBELO-WYMLVPIESA-N 1 0 379.476 4.406 20 0 GIADRO O=C(N[C@H]1C[C@H](c2ccccc2Cl)C1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000458865719 823099384 /nfs/dbraw/zinc/09/93/84/823099384.db2.gz MZQRJBMOODNHJD-KZNAEPCWSA-N 1 0 375.944 4.246 20 0 GIADRO CCc1ccc([C@H](NC(=O)C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)c2cccs2)cc1 ZINC000570871908 823099599 /nfs/dbraw/zinc/09/95/99/823099599.db2.gz QQZPUAJLYGBXDJ-VIZSFHNOSA-N 1 0 398.572 4.160 20 0 GIADRO Cc1c(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cccc1OCC(F)(F)F ZINC000176031065 823100338 /nfs/dbraw/zinc/10/03/38/823100338.db2.gz PNDVFYKZCMIZDK-GOOCMWNKSA-N 1 0 385.430 4.073 20 0 GIADRO COc1ccc2ccccc2c1C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000121003662 823101145 /nfs/dbraw/zinc/10/11/45/823101145.db2.gz FGHHKEBGBPETQH-AWEZNQCLSA-N 1 0 387.476 4.242 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1cccc(OCc2ccccn2)c1)C(=O)Nc1ccccc1 ZINC000056201355 823101917 /nfs/dbraw/zinc/10/19/17/823101917.db2.gz JMZSJNNFSSHDBN-ROUUACIJSA-N 1 0 375.472 4.338 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1cccc(OCc2ccccn2)c1)C(=O)Nc1cccc(F)c1 ZINC000056201319 823101996 /nfs/dbraw/zinc/10/19/96/823101996.db2.gz BLQPTDDLACKDGK-IRXDYDNUSA-N 1 0 393.462 4.478 20 0 GIADRO C[C@H](Cc1ccc(Cl)cc1)[N@H+](C)CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000121008486 823102111 /nfs/dbraw/zinc/10/21/11/823102111.db2.gz HCLFSMNDMOZBIA-HIFRSBDPSA-N 1 0 376.850 4.004 20 0 GIADRO O=S1(=O)C[C@H]([NH2+][C@@H](CCc2ccccc2)Cc2ccccc2)c2ccccc21 ZINC000570886399 823102166 /nfs/dbraw/zinc/10/21/66/823102166.db2.gz VODWNMFQRCOKNA-GMAHTHKFSA-N 1 0 391.536 4.349 20 0 GIADRO CCN(C(=O)NCCCC1CCOCC1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000458890843 823102394 /nfs/dbraw/zinc/10/23/94/823102394.db2.gz ULJMKTFYFKRZDV-UGKGYDQZSA-N 1 0 387.568 4.060 20 0 GIADRO 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PKDJWUIQZURFGP-UHFFFAOYSA-N 1 0 380.532 4.098 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@H](c1cccs1)N(C)C ZINC000121094768 823117515 /nfs/dbraw/zinc/11/75/15/823117515.db2.gz YMBWHMWAIZSOCS-XJKSGUPXSA-N 1 0 395.956 4.020 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H]2CCCC2(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000459023921 823118409 /nfs/dbraw/zinc/11/84/09/823118409.db2.gz KPENMRGEBGQNLV-NEWSRXKRSA-N 1 0 379.495 4.116 20 0 GIADRO CC[NH+](CC)[C@@H](c1nc(-c2cccnc2N2CCCC2)no1)c1ccccc1 ZINC000571004414 823118500 /nfs/dbraw/zinc/11/85/00/823118500.db2.gz QZRAJLLZMPARTH-LJQANCHMSA-N 1 0 377.492 4.163 20 0 GIADRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)N1Cc2ccccc2C2(CC2)C1 ZINC000187712557 823118515 /nfs/dbraw/zinc/11/85/15/823118515.db2.gz SBAGTRBDEDFRMH-GOSISDBHSA-N 1 0 395.572 4.217 20 0 GIADRO Cc1cccc(C)c1NC(=O)CCC[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000176098754 823119631 /nfs/dbraw/zinc/11/96/31/823119631.db2.gz CDUPQSYTXSIRNF-UHFFFAOYSA-N 1 0 393.531 4.373 20 0 GIADRO Fc1ccc([C@H](NCc2ccc(C[NH+]3CCCCC3)cc2)c2ncc[nH]2)cc1 ZINC000187714491 823118747 /nfs/dbraw/zinc/11/87/47/823118747.db2.gz IYEREECATSJFSF-QFIPXVFZSA-N 1 0 378.495 4.414 20 0 GIADRO O=C(NC1CC[NH+](Cc2cccc(OCC(F)(F)F)c2)CC1)c1ccccc1 ZINC000056282241 823120476 /nfs/dbraw/zinc/12/04/76/823120476.db2.gz XUCINMJRXZUAEL-UHFFFAOYSA-N 1 0 392.421 4.022 20 0 GIADRO CNC(=O)c1ccc(C[N@H+](Cc2cccc(OCC(F)(F)F)c2)C2CC2)cc1 ZINC000056283349 823120660 /nfs/dbraw/zinc/12/06/60/823120660.db2.gz NXBGGJXCJLFHOT-UHFFFAOYSA-N 1 0 392.421 4.152 20 0 GIADRO C[C@H]1C[C@@H](NC(=O)Cc2cccc(C(F)(F)F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000176102661 823121089 /nfs/dbraw/zinc/12/10/89/823121089.db2.gz SIWXLBIOOGAQSZ-JXFKEZNVSA-N 1 0 390.449 4.417 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)[C@H]2SCCc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000176113057 823124503 /nfs/dbraw/zinc/12/45/03/823124503.db2.gz PJNRVSLOSZCLRK-ZNLUXHQJSA-N 1 0 380.557 4.186 20 0 GIADRO C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F ZINC000571043751 823124519 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O=C(NC1CC[NH+](C2CCC2)CC1)N1C[C@@H](c2ccccc2)c2ccccc21 ZINC000459116971 823130020 /nfs/dbraw/zinc/13/00/20/823130020.db2.gz UTAGNUKRUIVJEZ-QFIPXVFZSA-N 1 0 375.516 4.365 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000459094215 823127425 /nfs/dbraw/zinc/12/74/25/823127425.db2.gz GYMKEDLWKWLFRZ-GOSISDBHSA-N 1 0 384.549 4.160 20 0 GIADRO C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000571070030 823127880 /nfs/dbraw/zinc/12/78/80/823127880.db2.gz BSKYYVJQRCJSNX-RDTXWAMCSA-N 1 0 390.936 4.026 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)N1CCC[C@@H]1[C@H]1CCCOC1 ZINC000571076256 823128367 /nfs/dbraw/zinc/12/83/67/823128367.db2.gz PCQPTQFSZLBMTB-XZOQPEGZSA-N 1 0 399.579 4.163 20 0 GIADRO Cc1cnc(C2CCN(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C)CC2)s1 ZINC000571076571 823128502 /nfs/dbraw/zinc/12/85/02/823128502.db2.gz LVKXVVCDGFJIQH-XLIONFOSSA-N 1 0 398.576 4.004 20 0 GIADRO O=C(CCc1cnn(-c2ccccc2)c1)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000056326278 823128574 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O=C(NC1CC[NH+](C2CC2)CC1)c1cc2ccc(OCc3ccccc3)cc2[nH]1 ZINC000056390680 823141761 /nfs/dbraw/zinc/14/17/61/823141761.db2.gz VCVWKWFDVCBTLK-UHFFFAOYSA-N 1 0 389.499 4.104 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCO[C@H](c2ccnn2C)C1)c1csc(-c2ccccc2F)n1 ZINC000571156709 823141959 /nfs/dbraw/zinc/14/19/59/823141959.db2.gz QBQBLTLPJLDJCR-KSMMKXTCSA-N 1 0 386.496 4.254 20 0 GIADRO CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2csc(-c3csc(C)n3)c2)CC1 ZINC000121241668 823145771 /nfs/dbraw/zinc/14/57/71/823145771.db2.gz LICXNQOWXPVZRE-HZPDHXFCSA-N 1 0 392.638 4.104 20 0 GIADRO Cn1cc(C[NH2+]Cc2cccc(OCc3ccc(F)cc3)c2)c(C(F)(F)F)n1 ZINC000121230859 823143359 /nfs/dbraw/zinc/14/33/59/823143359.db2.gz UNLGOKVSMWMGJF-UHFFFAOYSA-N 1 0 393.384 4.447 20 0 GIADRO Cc1ncc(CN(C)C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)s1 ZINC000056402012 823144051 /nfs/dbraw/zinc/14/40/51/823144051.db2.gz CLLKDGABFKJCAL-MRXNPFEDSA-N 1 0 386.565 4.025 20 0 GIADRO CC[NH+](CC)CC1CCN(C(=O)N[C@@H](c2ccco2)c2ccc(OC)cc2)CC1 ZINC000459213776 823145398 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GIADRO Cc1cc(C(C)(C)[NH2+]C[C@H](O)COCc2cccs2)ccc1Br ZINC000571211106 823149380 /nfs/dbraw/zinc/14/93/80/823149380.db2.gz AKLZYSSQDUVWPB-HNNXBMFYSA-N 1 0 398.366 4.221 20 0 GIADRO C[C@@H](CCCc1cccnc1)NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000459242308 823150332 /nfs/dbraw/zinc/15/03/32/823150332.db2.gz LAVVFXMSDDPZLG-RBBKRZOGSA-N 1 0 386.584 4.090 20 0 GIADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2ccc(Oc3ccccc3)o2)cc1 ZINC000176198118 823150585 /nfs/dbraw/zinc/15/05/85/823150585.db2.gz ITMSSYPBVVADTL-UHFFFAOYSA-N 1 0 393.443 4.214 20 0 GIADRO C[N@H+](CCCO[C@H]1CCCCO1)[C@H]1CCOc2ccc(Br)cc21 ZINC000571228204 823151831 /nfs/dbraw/zinc/15/18/31/823151831.db2.gz WUAKVQMOCXWHGW-WMZOPIPTSA-N 1 0 384.314 4.138 20 0 GIADRO COC(=O)N(C)c1ccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000056449806 823151884 /nfs/dbraw/zinc/15/18/84/823151884.db2.gz QXZKEMNXKBRQSL-UHFFFAOYSA-N 1 0 381.476 4.127 20 0 GIADRO CN(C)C(=O)C1CC[NH+](C/C=C\c2ccc(OCc3ccccc3)cc2)CC1 ZINC000459284594 823156238 /nfs/dbraw/zinc/15/62/38/823156238.db2.gz FUBASFUMZXZWCV-TWGQIWQCSA-N 1 0 378.516 4.079 20 0 GIADRO C[C@H]([NH2+]CCC(=O)N1CCCc2ccccc21)c1ccc(-n2cccn2)c(F)c1 ZINC000571229644 823152208 /nfs/dbraw/zinc/15/22/08/823152208.db2.gz XBFJRWUWLUWYHS-KRWDZBQOSA-N 1 0 392.478 4.032 20 0 GIADRO COc1ccc2cc(CNC(=O)N3CCC[C@@H]([NH+]4CCCC4)CC3)ccc2c1 ZINC000121271303 823152327 /nfs/dbraw/zinc/15/23/27/823152327.db2.gz PCJYBYWSTMOZQL-OAQYLSRUSA-N 1 0 381.520 4.008 20 0 GIADRO C[C@](O)(CC[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1)c1ccccc1 ZINC000187891990 823153270 /nfs/dbraw/zinc/15/32/70/823153270.db2.gz WVOPCEGDHPSHNZ-QFIPXVFZSA-N 1 0 390.930 4.331 20 0 GIADRO COc1cc([C@H](C)[NH2+]C2CCN(Cc3ccsc3)CC2)cc(OC)c1OC ZINC000121278028 823153346 /nfs/dbraw/zinc/15/33/46/823153346.db2.gz VIOOORFQYYQRAT-HNNXBMFYSA-N 1 0 390.549 4.089 20 0 GIADRO O=C(c1ccc(C[NH+]2CCCC2)cc1)N1C[C@H]2CCCCN2c2ccccc21 ZINC000571237143 823153382 /nfs/dbraw/zinc/15/33/82/823153382.db2.gz HPLZWXHJLFQVGF-OAQYLSRUSA-N 1 0 375.516 4.302 20 0 GIADRO CC(=O)NC[C@H]1CCC[N@H+](C/C=C/c2ccc(OCc3ccccc3)cc2)C1 ZINC000459287685 823156439 /nfs/dbraw/zinc/15/64/39/823156439.db2.gz ZMJLKPLWXCNQRM-DXSBJVNVSA-N 1 0 378.516 4.127 20 0 GIADRO CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000459264554 823153835 /nfs/dbraw/zinc/15/38/35/823153835.db2.gz NFYNNGMLAUQMMH-MRXNPFEDSA-N 1 0 385.474 4.357 20 0 GIADRO CCN(Cc1cccc(-c2ccncc2)c1)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000459268256 823154048 /nfs/dbraw/zinc/15/40/48/823154048.db2.gz RZYTWTOJMUVGBV-IBGZPJMESA-N 1 0 380.536 4.012 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3csc(Cl)c3)cc2F)CC1 ZINC000187897152 823154268 /nfs/dbraw/zinc/15/42/68/823154268.db2.gz NFNVNIYXWRLSLJ-UHFFFAOYSA-N 1 0 381.904 4.323 20 0 GIADRO Clc1cccc([C@@H](C[NH2+][C@@H]2CCCNc3ccccc32)N2CCOCC2)c1 ZINC000571247266 823154974 /nfs/dbraw/zinc/15/49/74/823154974.db2.gz ZFGXNSXCHPQQIO-FGZHOGPDSA-N 1 0 385.939 4.250 20 0 GIADRO C[N@@H+]1CCC[C@H](CCNC(=O)N2CCC[C@H]2c2cccc(Br)c2)C1 ZINC000459249443 823151563 /nfs/dbraw/zinc/15/15/63/823151563.db2.gz FENZXRAESGHHHN-QAPCUYQASA-N 1 0 394.357 4.028 20 0 GIADRO C[N@@H+]1CCC[C@@H](CCNC(=O)N2CCC[C@H]2c2cccc(Br)c2)C1 ZINC000459249445 823151573 /nfs/dbraw/zinc/15/15/73/823151573.db2.gz FENZXRAESGHHHN-YJBOKZPZSA-N 1 0 394.357 4.028 20 0 GIADRO CCC[C@H](NC(=O)N1CCC[C@H]([N@H+](C)Cc2ccccn2)CC1)C1CCCC1 ZINC000459320926 823161131 /nfs/dbraw/zinc/16/11/31/823161131.db2.gz QGXMUVWSIGVKJE-VXKWHMMOSA-N 1 0 386.584 4.436 20 0 GIADRO O=C(c1cccc(C[NH+]2CCCC2)c1)N1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000176228589 823158100 /nfs/dbraw/zinc/15/81/00/823158100.db2.gz XVCZGJPYSUFZDT-UXHICEINSA-N 1 0 384.545 4.072 20 0 GIADRO C[C@H](C(=O)NCc1ccc(OCCC[NH+](C)C)cc1)c1ccc(Cl)s1 ZINC000176232410 823158841 /nfs/dbraw/zinc/15/88/41/823158841.db2.gz GUSHENWWPJATBR-AWEZNQCLSA-N 1 0 380.941 4.152 20 0 GIADRO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC[C@@](C)(O)c1ccccc1 ZINC000187925768 823158957 /nfs/dbraw/zinc/15/89/57/823158957.db2.gz LSXBHRYKVSGYND-MGPUTAFESA-N 1 0 394.437 4.310 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)[C@@H]1CCC(=O)c2cccn21)C1CCCCC1 ZINC000571273793 823159350 /nfs/dbraw/zinc/15/93/50/823159350.db2.gz RUJZCKRXRZOEQY-NRFANRHFSA-N 1 0 379.504 4.409 20 0 GIADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C2CC2)C1 ZINC000571292665 823161452 /nfs/dbraw/zinc/16/14/52/823161452.db2.gz ONVQWFFGODVJCJ-AWEZNQCLSA-N 1 0 391.922 4.241 20 0 GIADRO COc1cc(C[N@H+](C)Cc2ccccc2N2CCO[C@H](C)C2)ccc1SC ZINC000459319475 823160670 /nfs/dbraw/zinc/16/06/70/823160670.db2.gz DQCMDVLDRVGPQX-QGZVFWFLSA-N 1 0 386.561 4.274 20 0 GIADRO CC(=O)NCCC[NH2+][C@@H](C)c1ccc(-c2ccccc2Br)s1 ZINC000121311306 823160801 /nfs/dbraw/zinc/16/08/01/823160801.db2.gz OPBSSEYAHLXFBC-LBPRGKRZSA-N 1 0 381.339 4.354 20 0 GIADRO C[C@@H]1CC[C@](CO)([N@H+](C)Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000187957173 823163635 /nfs/dbraw/zinc/16/36/35/823163635.db2.gz RJRMOSGUGKNQOQ-ACJLOTCBSA-N 1 0 379.298 4.087 20 0 GIADRO C[C@H](CC(=O)N(C)C)[NH2+][C@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC000121327489 823164074 /nfs/dbraw/zinc/16/40/74/823164074.db2.gz LYGBDYDLRFFCDQ-YJYMSZOUSA-N 1 0 393.300 4.134 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)N2CC[NH+](C3CCC(C(C)C)CC3)CC2)c1 ZINC000176255311 823164100 /nfs/dbraw/zinc/16/41/00/823164100.db2.gz RAHTZZMHBWZCMI-UHFFFAOYSA-N 1 0 386.540 4.009 20 0 GIADRO CC(=O)N1CCC([NH2+][C@H](CC2CC2)c2cc(F)cc(Br)c2)CC1 ZINC000187961324 823164294 /nfs/dbraw/zinc/16/42/94/823164294.db2.gz PTFNAUJNCLGEFJ-GOSISDBHSA-N 1 0 383.305 4.030 20 0 GIADRO CC[C@H](NC(=O)c1ccccc1)c1noc(/C=C/c2ccc(-n3ccnc3)cc2)n1 ZINC000571364282 823171591 /nfs/dbraw/zinc/17/15/91/823171591.db2.gz CIFVDPGVZLJBJU-YPNIWSFNSA-N 1 0 399.454 4.307 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1ccccc1N1CCCC1=O)c1cccc2ccccc21 ZINC000121345644 823166946 /nfs/dbraw/zinc/16/69/46/823166946.db2.gz CSBLILAQTSPLTR-KRWDZBQOSA-N 1 0 387.483 4.256 20 0 GIADRO COc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccc4occ(C)c4c3)CC2)cc1 ZINC000187981037 823167075 /nfs/dbraw/zinc/16/70/75/823167075.db2.gz NYOUIAGQHGMEJD-UHFFFAOYSA-N 1 0 393.487 4.490 20 0 GIADRO COc1ccc2[nH]c(C(=O)NC[C@H]3CCCC[N@H+](Cc4ccccc4)C3)cc2c1 ZINC000571339840 823167659 /nfs/dbraw/zinc/16/76/59/823167659.db2.gz DUUUOZQGDVIPMU-LJQANCHMSA-N 1 0 391.515 4.209 20 0 GIADRO CC(C)(C)[NH+]1CCC(N[C@H](Cc2ccccc2)C(=O)Nc2ccccc2)CC1 ZINC000187987171 823167728 /nfs/dbraw/zinc/16/77/28/823167728.db2.gz QTQAJIKHWGUSQS-JOCHJYFZSA-N 1 0 379.548 4.089 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C2CC2)CC1 ZINC000176269405 823168439 /nfs/dbraw/zinc/16/84/39/823168439.db2.gz GRMCUDZLBOMXPC-XMMPIXPASA-N 1 0 391.559 4.314 20 0 GIADRO CC(C)OC1CC([NH+]2CCN([C@H](C)c3ccc(Br)cc3)CC2)C1 ZINC000459350980 823168464 /nfs/dbraw/zinc/16/84/64/823168464.db2.gz ZEDWNFGRFXSHIN-VNCLNFNDSA-N 1 0 381.358 4.084 20 0 GIADRO CO[C@@H](C[NH2+]Cc1c(Cl)cccc1N1CCOCC1)c1ccc(Cl)cc1 ZINC000571347160 823168661 /nfs/dbraw/zinc/16/86/61/823168661.db2.gz JHZMTZVLIHOZFI-FQEVSTJZSA-N 1 0 395.330 4.307 20 0 GIADRO Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H]1CCCOc3c(Cl)c(Cl)ccc31)C2 ZINC000571349496 823169257 /nfs/dbraw/zinc/16/92/57/823169257.db2.gz ZPTBDQPRDNEOJN-SUMWQHHRSA-N 1 0 378.303 4.453 20 0 GIADRO CCc1nc(CN2CCC(C[NH2+][C@@H](C)Cc3ccccc3F)CC2)cs1 ZINC000187998530 823169502 /nfs/dbraw/zinc/16/95/02/823169502.db2.gz DGNDMRPDPUAIKX-INIZCTEOSA-N 1 0 375.557 4.277 20 0 GIADRO CC[C@H]([NH2+]CC1(N(C)C)CCOCC1)c1ccc(Br)cc1Cl ZINC000188012516 823171868 /nfs/dbraw/zinc/17/18/68/823171868.db2.gz RMYSBJYPWAEMEJ-INIZCTEOSA-N 1 0 389.765 4.254 20 0 GIADRO CO[C@H](C)c1nc(CN2CCC[N@H+](CCc3cccc(Cl)c3)CC2)cs1 ZINC000459357598 823170392 /nfs/dbraw/zinc/17/03/92/823170392.db2.gz PDKYFNRNGYSUCM-MRXNPFEDSA-N 1 0 393.984 4.254 20 0 GIADRO C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+][C@@H]1CCN(Cc2ccccc2)C1=O ZINC000571359008 823170419 /nfs/dbraw/zinc/17/04/19/823170419.db2.gz DKKXRWUTAAFPIR-ZRNYNZGJSA-N 1 0 388.433 4.499 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNCc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H]1c1cccs1 ZINC000188009040 823171251 /nfs/dbraw/zinc/17/12/51/823171251.db2.gz MTPUYKLYEIVDJC-KBXCAEBGSA-N 1 0 379.913 4.482 20 0 GIADRO COc1ccc(-c2ccccc2C)cc1C[NH2+]C1CCN(C(=O)C(C)C)CC1 ZINC000459362099 823172214 /nfs/dbraw/zinc/17/22/14/823172214.db2.gz GRKJMXRWFBCPLK-UHFFFAOYSA-N 1 0 380.532 4.407 20 0 GIADRO Cc1nc2ccccn2c(=O)c1CC[NH2+][C@H](Cc1ccccc1)c1cccs1 ZINC000571366114 823172305 /nfs/dbraw/zinc/17/23/05/823172305.db2.gz XEOSXGANRLQUIZ-HXUWFJFHSA-N 1 0 389.524 4.181 20 0 GIADRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1nc(Br)ccc1C ZINC000188020504 823173084 /nfs/dbraw/zinc/17/30/84/823173084.db2.gz BJIZELXCBLCGKA-UHFFFAOYSA-N 1 0 388.309 4.309 20 0 GIADRO C[C@](O)(C[NH2+][C@H](Cc1ccccc1)c1nc2ccccc2s1)C(F)(F)F ZINC000571396603 823177131 /nfs/dbraw/zinc/17/71/31/823177131.db2.gz JFDXLLDHZPKDGY-QAPCUYQASA-N 1 0 380.435 4.483 20 0 GIADRO C[C@H]1CN(c2ccccc2C[NH2+]Cc2ccccc2OCC(F)(F)F)CCO1 ZINC000459378224 823177172 /nfs/dbraw/zinc/17/71/72/823177172.db2.gz VQZPUSAYIFSQNI-INIZCTEOSA-N 1 0 394.437 4.143 20 0 GIADRO C[C@H](OCCCNC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)c1ccccc1 ZINC000121379858 823173860 /nfs/dbraw/zinc/17/38/60/823173860.db2.gz MDVZOFFCVSAYJN-IBGZPJMESA-N 1 0 399.535 4.053 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCCC3)nc2)[C@H]1Sc1ccccc1 ZINC000459367092 823174190 /nfs/dbraw/zinc/17/41/90/823174190.db2.gz NTWUWSJQAYPIHO-TUNNFDKTSA-N 1 0 383.561 4.110 20 0 GIADRO CCOc1cc(CNc2ccccc2N2CC[NH+](CC)CC2)cc(Cl)c1O ZINC000459367196 823174268 /nfs/dbraw/zinc/17/42/68/823174268.db2.gz OHAZYRVMQOFTRH-UHFFFAOYSA-N 1 0 389.927 4.198 20 0 GIADRO COc1ccc(C[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)c2ccccc12 ZINC000121382176 823174375 /nfs/dbraw/zinc/17/43/75/823174375.db2.gz IRKDVGZZXLQQFE-UHFFFAOYSA-N 1 0 390.483 4.405 20 0 GIADRO C[NH+](C)[C@H]1CCOc2c(NC(=O)Cc3c[nH]c4ccc(Cl)cc34)cccc21 ZINC000571376837 823174436 /nfs/dbraw/zinc/17/44/36/823174436.db2.gz XCPMJIPQMVJNGE-IBGZPJMESA-N 1 0 383.879 4.388 20 0 GIADRO Cc1c2cc(Cl)ccc2sc1CNC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000571385829 823175526 /nfs/dbraw/zinc/17/55/26/823175526.db2.gz DFMUTOQFLGOXLO-AWEZNQCLSA-N 1 0 379.957 4.393 20 0 GIADRO CCCCOc1cc(OCCC)ccc1C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000188042846 823176365 /nfs/dbraw/zinc/17/63/65/823176365.db2.gz KJPPQIONMNGTLH-MSOLQXFVSA-N 1 0 376.541 4.209 20 0 GIADRO Fc1ccc2nc([C@H]3CCC[N@@H+]([C@@H]4CCN(Cc5ccccc5)C4)C3)oc2c1 ZINC000459377697 823176875 /nfs/dbraw/zinc/17/68/75/823176875.db2.gz PWSYCFSZSKWJRY-AZUAARDMSA-N 1 0 379.479 4.421 20 0 GIADRO COc1ccc(CC[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)cc1 ZINC000459379880 823177812 /nfs/dbraw/zinc/17/78/12/823177812.db2.gz PRIVNNPVNPRONT-UHFFFAOYSA-N 1 0 376.504 4.401 20 0 GIADRO COc1ccc(C[C@@H]([NH2+]Cc2ccc(OC)nc2)c2ccc(OC)cc2)cc1 ZINC000176307222 823177874 /nfs/dbraw/zinc/17/78/74/823177874.db2.gz DNXAAYBVUFNLOC-JOCHJYFZSA-N 1 0 378.472 4.181 20 0 GIADRO Cc1cccnc1OC1CC[NH+](CCc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000571408965 823178729 /nfs/dbraw/zinc/17/87/29/823178729.db2.gz ZXHFGJOLVRBJKO-UHFFFAOYSA-N 1 0 398.894 4.179 20 0 GIADRO c1c(CN2CC[C@H](C[NH+]3CCCCC3)C2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459382831 823178883 /nfs/dbraw/zinc/17/88/83/823178883.db2.gz WJLDROBIJULISV-HXUWFJFHSA-N 1 0 393.579 4.368 20 0 GIADRO CCCc1c(NC(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)cnn1-c1ccccc1 ZINC000571415202 823179805 /nfs/dbraw/zinc/17/98/05/823179805.db2.gz PJPNOUVEQIRFBK-NRFANRHFSA-N 1 0 395.551 4.067 20 0 GIADRO COc1cccc([C@@H]2[C@@H](NC(=O)c3coc(C4CCCC4)n3)CCN2C2CC2)c1 ZINC000571421800 823180412 /nfs/dbraw/zinc/18/04/12/823180412.db2.gz ZQMRAYKBJDZVNR-PZJWPPBQSA-N 1 0 395.503 4.049 20 0 GIADRO CCOC[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000176317148 823180420 /nfs/dbraw/zinc/18/04/20/823180420.db2.gz CHLUOPJSDUSLSK-RYUDHWBXSA-N 1 0 378.822 4.044 20 0 GIADRO O=c1cc(C[NH2+][C@@H](c2ccc(Br)cc2)C2CCC2)nc(C2CC2)[nH]1 ZINC000459389270 823180561 /nfs/dbraw/zinc/18/05/61/823180561.db2.gz GYZSDBNVAMUGFV-GOSISDBHSA-N 1 0 388.309 4.453 20 0 GIADRO CCOc1cc(C[NH2+]CCc2csc(C(C)C)n2)cc(Br)c1O ZINC000459397788 823183279 /nfs/dbraw/zinc/18/32/79/823183279.db2.gz JXIKMTYITDMGCG-UHFFFAOYSA-N 1 0 399.354 4.466 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(Cn3cnc4ccccc43)cc2)[C@H]1SC ZINC000459391389 823181370 /nfs/dbraw/zinc/18/13/70/823181370.db2.gz QYDFMMSANAKASF-KSEOMHKRSA-N 1 0 381.545 4.083 20 0 GIADRO COc1cc(C)c([C@H](C)[NH2+]Cc2cc(=O)[nH]c(-c3ccccc3)n2)cc1OC ZINC000459393204 823181742 /nfs/dbraw/zinc/18/17/42/823181742.db2.gz MJZCKSVMOJZLPA-HNNXBMFYSA-N 1 0 379.460 4.026 20 0 GIADRO CCOc1cc(C[NH2+]C[C@H]2CCN(c3ccccc3OC)C2)cc(Cl)c1O ZINC000459393881 823182143 /nfs/dbraw/zinc/18/21/43/823182143.db2.gz GJKSVWALQYUBMP-OAHLLOKOSA-N 1 0 390.911 4.069 20 0 GIADRO CC[NH+]1CCC(n2nccc2NC(=O)CSc2ccc3ccccc3c2)CC1 ZINC000121432489 823183485 /nfs/dbraw/zinc/18/34/85/823183485.db2.gz NFCVGVYZPQPRFF-UHFFFAOYSA-N 1 0 394.544 4.424 20 0 GIADRO O=C(N[C@H](c1nccs1)c1ccccc1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176324373 823182245 /nfs/dbraw/zinc/18/22/45/823182245.db2.gz ZVEQOIXPAFRMQV-FQEVSTJZSA-N 1 0 398.576 4.329 20 0 GIADRO CCOc1cc(C[NH2+]C2(c3ccc(OC)cc3)CC2)cc(Br)c1O ZINC000459396377 823182647 /nfs/dbraw/zinc/18/26/47/823182647.db2.gz CMHNLVCWEWFRKG-UHFFFAOYSA-N 1 0 392.293 4.341 20 0 GIADRO c1sc(-c2ncccn2)nc1CS[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000571446267 823183894 /nfs/dbraw/zinc/18/38/94/823183894.db2.gz ZYVGGGBNXFUXHO-GOSISDBHSA-N 1 0 382.558 4.498 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)CCC(=O)c2cc(Cl)sc2Cl)C1 ZINC000121435787 823183892 /nfs/dbraw/zinc/18/38/92/823183892.db2.gz AUFCMYUYQACCCQ-LBPRGKRZSA-N 1 0 391.364 4.208 20 0 GIADRO O=C(NC1CC[NH+](C2CCCC2)CC1)C1(c2ccccc2Br)CC1 ZINC000188082618 823183929 /nfs/dbraw/zinc/18/39/29/823183929.db2.gz HTTJVONSJFLOSI-UHFFFAOYSA-N 1 0 391.353 4.004 20 0 GIADRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N(CCC(F)(F)F)CC1CC1 ZINC000176333299 823184634 /nfs/dbraw/zinc/18/46/34/823184634.db2.gz PSDRABDICSAYMM-GOSISDBHSA-N 1 0 383.458 4.198 20 0 GIADRO COc1ccc(NC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)c(C(F)(F)F)c1 ZINC000056627867 823185177 /nfs/dbraw/zinc/18/51/77/823185177.db2.gz ATDJDVYPZMXZIO-HNNXBMFYSA-N 1 0 395.425 4.008 20 0 GIADRO CCOc1cc(C[NH2+][C@H](CCC(=O)OC)c2ccccc2)cc(Cl)c1O ZINC000459403136 823185275 /nfs/dbraw/zinc/18/52/75/823185275.db2.gz KUDMLSKXVOCZTC-QGZVFWFLSA-N 1 0 377.868 4.228 20 0 GIADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(C)(C)c1csc(-c2cc(F)ccc2F)n1 ZINC000571454553 823185324 /nfs/dbraw/zinc/18/53/24/823185324.db2.gz ONVAJNUNBROPGT-ZDUSSCGKSA-N 1 0 395.519 4.212 20 0 GIADRO CC(C)c1nccn1Cc1cccc(NC(=O)NCC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000056629377 823185526 /nfs/dbraw/zinc/18/55/26/823185526.db2.gz UVJJPHDMLDXZCF-VCSGRIEYSA-N 1 0 395.551 4.049 20 0 GIADRO COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C[NH2+]CC[C@@H](C)OC)c1 ZINC000571456053 823185608 /nfs/dbraw/zinc/18/56/08/823185608.db2.gz DQJSEDLRYINRFU-QGZVFWFLSA-N 1 0 395.503 4.071 20 0 GIADRO c1ccc(CC(C[NH2+]CCc2nnc3n2CCCCC3)Cc2ccccc2)cc1 ZINC000571457029 823185627 /nfs/dbraw/zinc/18/56/27/823185627.db2.gz PWYRCZHDJKDLFR-UHFFFAOYSA-N 1 0 388.559 4.238 20 0 GIADRO Cc1ccc(NC(=O)N(C)[C@H](C)Cc2cccc(F)c2)c(OCC[NH+](C)C)c1 ZINC000459406292 823185760 /nfs/dbraw/zinc/18/57/60/823185760.db2.gz CKULNWJKFQFZSK-QGZVFWFLSA-N 1 0 387.499 4.169 20 0 GIADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)[C@@H](C)c1cc2ccccc2o1 ZINC000176349638 823189080 /nfs/dbraw/zinc/18/90/80/823189080.db2.gz LHIKZWGHNTXNRI-GHTZIAJQSA-N 1 0 391.515 4.444 20 0 GIADRO C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@H+](C)CC1CCC(F)(F)CC1 ZINC000459421273 823188874 /nfs/dbraw/zinc/18/88/74/823188874.db2.gz DUFSDWCQBLROIV-OAHLLOKOSA-N 1 0 386.508 4.045 20 0 GIADRO Cc1csc([C@H](NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)C2CC2)n1 ZINC000176341303 823187295 /nfs/dbraw/zinc/18/72/95/823187295.db2.gz WZMVNUOFEFGBEV-HXUWFJFHSA-N 1 0 398.576 4.209 20 0 GIADRO COc1ccc(C2(C[NH2+]Cc3cnc(C4CC4)nc3)CCCCC2)cc1OC ZINC000459417748 823188361 /nfs/dbraw/zinc/18/83/61/823188361.db2.gz UUDMNCXGKSUPOH-UHFFFAOYSA-N 1 0 381.520 4.363 20 0 GIADRO COc1ccc(-c2ccccc2C)cc1CNC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000459423936 823189615 /nfs/dbraw/zinc/18/96/15/823189615.db2.gz GCSVSVQYQBCYOS-FQEVSTJZSA-N 1 0 394.559 4.261 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1C[NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000459454015 823195416 /nfs/dbraw/zinc/19/54/16/823195416.db2.gz BDPBBGUHHUMWSQ-LPHOPBHVSA-N 1 0 389.471 4.480 20 0 GIADRO Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000571521154 823195456 /nfs/dbraw/zinc/19/54/56/823195456.db2.gz WHHBVHRFXYQRAH-KRWDZBQOSA-N 1 0 387.527 4.339 20 0 GIADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)[C@@H]2CCN(c3ccccc3Cl)C2)C1 ZINC000571487018 823190150 /nfs/dbraw/zinc/19/01/50/823190150.db2.gz VUECXRDAEMHBKG-FCGDIQPGSA-N 1 0 389.971 4.030 20 0 GIADRO Cc1cc(C)c(N2CC[C@H]([NH2+]Cc3ccc4c(c3)COC(C)(C)O4)C2=O)c(C)c1 ZINC000188125770 823190303 /nfs/dbraw/zinc/19/03/03/823190303.db2.gz MHHZJWAKMJXCBF-FQEVSTJZSA-N 1 0 394.515 4.152 20 0 GIADRO O=C(NCC[NH+]1CCCCC1)Nc1ccc(Br)cc1C(F)(F)F ZINC000056652334 823190644 /nfs/dbraw/zinc/19/06/44/823190644.db2.gz YSAQDBXFPULXJL-UHFFFAOYSA-N 1 0 394.235 4.075 20 0 GIADRO CCC1(CC)Oc2ccc(NC(=O)N3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cc2O1 ZINC000188127690 823190702 /nfs/dbraw/zinc/19/07/02/823190702.db2.gz NZYFVHFDAGENML-VQIMIIECSA-N 1 0 399.535 4.455 20 0 GIADRO Cc1ccc(C)c(OC2CCN(C(=O)NCc3cccc(C[NH+](C)C)c3)CC2)c1 ZINC000056656932 823190860 /nfs/dbraw/zinc/19/08/60/823190860.db2.gz HGULJSPLRREUMI-UHFFFAOYSA-N 1 0 395.547 4.118 20 0 GIADRO CCC(CC)C(=O)N1CCC([NH2+][C@@H](C)Cc2ccc(Br)cc2)CC1 ZINC000188133005 823191415 /nfs/dbraw/zinc/19/14/15/823191415.db2.gz BGOJWMZKIBGLOO-HNNXBMFYSA-N 1 0 395.385 4.397 20 0 GIADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1cccc(NC(=O)c2ccccc2)c1 ZINC000056658471 823191496 /nfs/dbraw/zinc/19/14/96/823191496.db2.gz XEBYEZWREUNIHG-ZWKOTPCHSA-N 1 0 394.519 4.181 20 0 GIADRO C[C@@H]1CN(c2ccccc2C[NH2+]C[C@H]2CCCN(C)[C@H]2c2cccs2)CCO1 ZINC000459434479 823191654 /nfs/dbraw/zinc/19/16/54/823191654.db2.gz OTESZCITSAXNDO-KKLQWCBXSA-N 1 0 399.604 4.146 20 0 GIADRO CC(C)n1cc([C@H](C)[NH2+]CCc2nc3sc4c(c3c(N)n2)CC[C@@H](C)C4)cn1 ZINC000571527969 823195845 /nfs/dbraw/zinc/19/58/45/823195845.db2.gz QHHDKKXJIUANGV-KGLIPLIRSA-N 1 0 398.580 4.069 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(C)c(NC(C)=O)c1C)c1ccccc1 ZINC000056691467 823194226 /nfs/dbraw/zinc/19/42/26/823194226.db2.gz YTSNWVYIGYTMFV-NRFANRHFSA-N 1 0 396.535 4.466 20 0 GIADRO CCN(Cc1cccs1)C(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000188150342 823194272 /nfs/dbraw/zinc/19/42/72/823194272.db2.gz ZORHZHCYYCCMLG-HXUWFJFHSA-N 1 0 387.549 4.125 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C(C)=O)c3ccccc32)[C@H]1Sc1ccccc1 ZINC000459447652 823194353 /nfs/dbraw/zinc/19/43/53/823194353.db2.gz WKTUOYQNGWWEPE-IRMYBRCSSA-N 1 0 396.556 4.412 20 0 GIADRO CCOc1cc(C[NH2+][C@H](C)[C@@H](OC2CCOCC2)c2ccccc2)ccc1O ZINC000459452567 823194870 /nfs/dbraw/zinc/19/48/70/823194870.db2.gz RKMXAMBURJXVAW-UZUQRXQVSA-N 1 0 385.504 4.206 20 0 GIADRO CC[C@@H](C)n1ncc(NC(=O)N(CC[NH+](C)C)Cc2ccsc2)c1C1CC1 ZINC000459452817 823194881 /nfs/dbraw/zinc/19/48/81/823194881.db2.gz CPOPRTBUASOLCU-OAHLLOKOSA-N 1 0 389.569 4.389 20 0 GIADRO O=S(=O)(Nc1cccc(C[NH+]2CCCCC2)c1)c1ccc(C(F)F)cc1 ZINC000571532558 823196774 /nfs/dbraw/zinc/19/67/74/823196774.db2.gz QVEJONDZHKELAZ-UHFFFAOYSA-N 1 0 380.460 4.411 20 0 GIADRO Cc1ccc(NC(=O)CCc2ccc(Br)cc2)c(C[NH+](C)C)c1 ZINC000176392678 823197292 /nfs/dbraw/zinc/19/72/92/823197292.db2.gz ZQAQWKVMVYTBHI-UHFFFAOYSA-N 1 0 375.310 4.390 20 0 GIADRO Oc1cccc(C[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)cc2)c1Br ZINC000459466056 823198316 /nfs/dbraw/zinc/19/83/16/823198316.db2.gz OOFVRYKADVFLFE-WMLDXEAASA-N 1 0 382.685 4.428 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ncc(-c3cccc(F)c3)o2)C1)CC(F)(F)F ZINC000176395689 823198423 /nfs/dbraw/zinc/19/84/23/823198423.db2.gz NGSJHQWBIVGQFZ-CQSZACIVSA-N 1 0 385.405 4.187 20 0 GIADRO CN(C)C(=O)CC1CC[NH+](C/C=C\c2ccc(OCc3ccccc3)cc2)CC1 ZINC000459470724 823199023 /nfs/dbraw/zinc/19/90/23/823199023.db2.gz UHUYDLXDHFKGGH-TWGQIWQCSA-N 1 0 392.543 4.469 20 0 GIADRO C[C@H](Oc1cccnc1)C(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000571565755 823201290 /nfs/dbraw/zinc/20/12/90/823201290.db2.gz RAUYYVHGDRUUAA-KRWDZBQOSA-N 1 0 385.533 4.066 20 0 GIADRO CCOc1ccccc1Oc1ccccc1C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000176399585 823199630 /nfs/dbraw/zinc/19/96/30/823199630.db2.gz DOPFGQMFBRUADG-SFHVURJKSA-N 1 0 382.504 4.291 20 0 GIADRO CC(C)N1CC[C@H]([NH2+]Cc2cnc(C3CC3)nc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000459474696 823200005 /nfs/dbraw/zinc/20/00/05/823200005.db2.gz VSIKUIAFXIGULE-VQTJNVASSA-N 1 0 388.918 4.460 20 0 GIADRO CCC[C@@H]([NH2+][C@H]1C[C@@H](OCC)[C@@H]1Sc1ccccc1)c1nnc2ccccn21 ZINC000459475364 823200103 /nfs/dbraw/zinc/20/01/03/823200103.db2.gz ZUTRFASJNXDJLG-RCLSDMTESA-N 1 0 396.560 4.498 20 0 GIADRO CC(C)Oc1cccc([C@H](C)NC(=O)N(CC[NH+](C)C)Cc2cccs2)c1 ZINC000176402194 823200518 /nfs/dbraw/zinc/20/05/18/823200518.db2.gz YCWKEGIOIXJZGY-KRWDZBQOSA-N 1 0 389.565 4.370 20 0 GIADRO COc1ccc2c(c1)[C@@H]([NH2+]CC1(N3CCCCC3)CCOCC1)CCCS2 ZINC000188189458 823200713 /nfs/dbraw/zinc/20/07/13/823200713.db2.gz XISJAUMKUGQUSW-FQEVSTJZSA-N 1 0 390.593 4.247 20 0 GIADRO CC[C@H](c1ccc(Br)cc1)[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000121530232 823200777 /nfs/dbraw/zinc/20/07/77/823200777.db2.gz OPJSJPMLUOBGBW-GOSISDBHSA-N 1 0 379.342 4.235 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)N3CC(CC)(c4ccccc4)C3)c2)CC1 ZINC000459504875 823206425 /nfs/dbraw/zinc/20/64/25/823206425.db2.gz HWPUXIYFUATWDW-UHFFFAOYSA-N 1 0 392.547 4.024 20 0 GIADRO CC(=O)Nc1ccc(C)c(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)c1 ZINC000188199720 823202319 /nfs/dbraw/zinc/20/23/19/823202319.db2.gz OKRYACWVQYGPOT-KRWDZBQOSA-N 1 0 393.531 4.115 20 0 GIADRO CCOC(=O)C(C)(C)C1CC[NH+](Cc2ccc(C)cc2-c2ccnn2C)CC1 ZINC000571602770 823206463 /nfs/dbraw/zinc/20/64/63/823206463.db2.gz XDAGFLGCKJUCPM-UHFFFAOYSA-N 1 0 383.536 4.197 20 0 GIADRO CC(C)OCC[NH+]1CCC(NC(=O)N[C@@H](c2cccc(F)c2)C(C)(C)C)CC1 ZINC000176411592 823202515 /nfs/dbraw/zinc/20/25/15/823202515.db2.gz XQDDXADUEGUOFT-FQEVSTJZSA-N 1 0 393.547 4.102 20 0 GIADRO Oc1cccc(C[NH2+][C@H]2CCO[C@H](c3ccc(F)cc3)C2)c1Br ZINC000459487956 823202762 /nfs/dbraw/zinc/20/27/62/823202762.db2.gz RFLAPDCKPWOTRO-RDJZCZTQSA-N 1 0 380.257 4.304 20 0 GIADRO Oc1cccc(C[NH2+][C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c1Br ZINC000459487957 823202953 /nfs/dbraw/zinc/20/29/53/823202953.db2.gz RFLAPDCKPWOTRO-WBVHZDCISA-N 1 0 380.257 4.304 20 0 GIADRO C[NH+](C)CCN(C(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1)C1CCCC1 ZINC000176415948 823204057 /nfs/dbraw/zinc/20/40/57/823204057.db2.gz VAYRRVYTQIVLFK-UHFFFAOYSA-N 1 0 394.519 4.277 20 0 GIADRO COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000188211339 823204073 /nfs/dbraw/zinc/20/40/73/823204073.db2.gz RKMJNDFOOMGTIT-IRLDBZIGSA-N 1 0 394.515 4.432 20 0 GIADRO CCCCn1ncc(NC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)c1C ZINC000571583655 823204058 /nfs/dbraw/zinc/20/40/58/823204058.db2.gz VUYADLBDMHRHKL-GOSISDBHSA-N 1 0 377.920 4.069 20 0 GIADRO Cc1c(NC(=O)N(CC[NH+](C)C)C2CCCC2)cccc1OCC(F)(F)F ZINC000176418320 823204262 /nfs/dbraw/zinc/20/42/62/823204262.db2.gz ZCHCFAXUESUQBO-UHFFFAOYSA-N 1 0 387.446 4.274 20 0 GIADRO C[C@H](Oc1ccc(C(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)cn1)c1ccccc1 ZINC000571590430 823204629 /nfs/dbraw/zinc/20/46/29/823204629.db2.gz WZDSXFPHMSNZSB-MOPGFXCFSA-N 1 0 393.531 4.168 20 0 GIADRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2csc(-c3ccccc3Cl)n2)C[C@@H](C)C1 ZINC000571591315 823204689 /nfs/dbraw/zinc/20/46/89/823204689.db2.gz VSTLBFILZBIXOA-DEYYWGMASA-N 1 0 389.952 4.266 20 0 GIADRO C[NH+](C)[C@@H]1CCOc2c(NCc3cccc(O)c3Br)cccc21 ZINC000459507265 823206732 /nfs/dbraw/zinc/20/67/32/823206732.db2.gz QUEVEBANBBRSRI-OAHLLOKOSA-N 1 0 377.282 4.152 20 0 GIADRO CC[NH+](CC)CCCSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1 ZINC000188217991 823204939 /nfs/dbraw/zinc/20/49/39/823204939.db2.gz YQCKPIKTWBJVJJ-HNNXBMFYSA-N 1 0 380.583 4.010 20 0 GIADRO Cc1ccc(N2CCC([NH2+][C@@H](C)Cc3ccc(Br)cc3)CC2)nc1 ZINC000188220757 823205337 /nfs/dbraw/zinc/20/53/37/823205337.db2.gz KISCPVKESXNEMD-INIZCTEOSA-N 1 0 388.353 4.342 20 0 GIADRO CC[C@@H]([NH2+]Cc1ccc(OC(C)C)c(Cl)c1)c1cccc(S(N)(=O)=O)c1 ZINC000188225031 823206147 /nfs/dbraw/zinc/20/61/47/823206147.db2.gz RPTQPNQMAMYOHZ-GOSISDBHSA-N 1 0 396.940 4.016 20 0 GIADRO Brc1cccc(N[C@@H]2CCC[N@H+](Cc3cnc(C4CC4)nc3)C2)c1 ZINC000459510693 823207808 /nfs/dbraw/zinc/20/78/08/823207808.db2.gz XGHBOWMQMDJLHM-GOSISDBHSA-N 1 0 387.325 4.193 20 0 GIADRO CC1(C(=O)NCc2ccc(OC(F)F)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000188270767 823212113 /nfs/dbraw/zinc/21/21/13/823212113.db2.gz ULSNLMSLEGGVLH-UHFFFAOYSA-N 1 0 388.458 4.207 20 0 GIADRO C[N@@H+]1CC[C@@H](NC(=O)c2c(F)cc(C(F)(F)F)cc2F)[C@@H]1c1ccccc1 ZINC000571607773 823207898 /nfs/dbraw/zinc/20/78/98/823207898.db2.gz UQZYEQDSHMORDT-WBVHZDCISA-N 1 0 384.348 4.159 20 0 GIADRO CCCn1nccc1C1CC[NH+](Cc2cc(Cl)c(O)c(OCC)c2)CC1 ZINC000459515543 823208855 /nfs/dbraw/zinc/20/88/55/823208855.db2.gz AFRFAPSDYYEEKZ-UHFFFAOYSA-N 1 0 377.916 4.430 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1C[NH2+]C[C@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000459515588 823208934 /nfs/dbraw/zinc/20/89/34/823208934.db2.gz PKCYXANZMTWFFA-GUYCJALGSA-N 1 0 387.471 4.155 20 0 GIADRO Fc1ccc2c(c1)onc2C1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000459515027 823208955 /nfs/dbraw/zinc/20/89/55/823208955.db2.gz DCOIZBVALHAYFF-FQEVSTJZSA-N 1 0 379.479 4.421 20 0 GIADRO COCc1ccc(CNC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)cc1 ZINC000056764276 823208953 /nfs/dbraw/zinc/20/89/53/823208953.db2.gz SEQFJJZXGVFOJO-UHFFFAOYSA-N 1 0 381.520 4.183 20 0 GIADRO CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(Br)cc2C(F)(F)F)C1 ZINC000188249877 823209162 /nfs/dbraw/zinc/20/91/62/823209162.db2.gz XHAPPRGTMUNQAB-JQWIXIFHSA-N 1 0 393.247 4.129 20 0 GIADRO CCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(Br)cc2C(F)(F)F)C1 ZINC000188249942 823209173 /nfs/dbraw/zinc/20/91/73/823209173.db2.gz XHAPPRGTMUNQAB-ZYHUDNBSSA-N 1 0 393.247 4.129 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]Cc2cc(=O)[nH]c(-c3ccccc3)n2)c(C)c1OC ZINC000459516944 823209299 /nfs/dbraw/zinc/20/92/99/823209299.db2.gz DZJQIAIHSFGLPQ-OAHLLOKOSA-N 1 0 379.460 4.026 20 0 GIADRO COc1ccccc1[C@H](C[NH2+]Cc1ccccc1N1CCO[C@@H](C)C1)OC(C)C ZINC000459518159 823209716 /nfs/dbraw/zinc/20/97/16/823209716.db2.gz FFJOEVAGPGQOPR-CYFREDJKSA-N 1 0 398.547 4.176 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1cccc(-c2nccs2)c1)c1cccc(F)c1 ZINC000056778443 823212390 /nfs/dbraw/zinc/21/23/90/823212390.db2.gz RCPYJFLKJHEFEM-GOSISDBHSA-N 1 0 384.480 4.374 20 0 GIADRO Cc1cc(N2CCC([NH2+][C@@H](Cc3cccnc3)c3cccc(Cl)c3)CC2)n[nH]1 ZINC000571616610 823209817 /nfs/dbraw/zinc/20/98/17/823209817.db2.gz KCYMWZKLWNWRCS-NRFANRHFSA-N 1 0 395.938 4.309 20 0 GIADRO COc1ccc([C@@H](Cc2ccccc2)[NH2+]Cc2cc(=O)[nH]c(C3CC3)n2)cc1 ZINC000459521008 823210122 /nfs/dbraw/zinc/21/01/22/823210122.db2.gz GVXMSWSCHISNOY-OAQYLSRUSA-N 1 0 375.472 4.142 20 0 GIADRO Fc1ccccc1-n1ccc(C[NH+]2CCC3(CC2)OCCc2ccccc23)n1 ZINC000459521787 823210441 /nfs/dbraw/zinc/21/04/41/823210441.db2.gz LTKLSBSEKNDULG-UHFFFAOYSA-N 1 0 377.463 4.075 20 0 GIADRO Cc1ccc(NC(=O)N2CC[NH+](C3CCCC3)CC2)c(OCC(F)(F)F)c1 ZINC000056771699 823210784 /nfs/dbraw/zinc/21/07/84/823210784.db2.gz NDJMQPAFNHGICF-UHFFFAOYSA-N 1 0 385.430 4.028 20 0 GIADRO CC1(C)C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)c2cc(N)ccc2O1 ZINC000571679864 823217836 /nfs/dbraw/zinc/21/78/36/823217836.db2.gz XKFFOHHVDMYQCE-RTWAWAEBSA-N 1 0 393.531 4.042 20 0 GIADRO c1c(C[NH+]2CCC3(CCOCC3)CC2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459529791 823212791 /nfs/dbraw/zinc/21/27/91/823212791.db2.gz SNKSVZIRRCDYAU-UHFFFAOYSA-N 1 0 380.536 4.453 20 0 GIADRO Cc1cnc([C@H](C)NC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)s1 ZINC000176463431 823212913 /nfs/dbraw/zinc/21/29/13/823212913.db2.gz WQTHPEJJHRIUSR-KRWDZBQOSA-N 1 0 386.565 4.388 20 0 GIADRO CCOc1cc(CN[C@H](C[NH+](C)C)c2ccc(Cl)cc2)cc(Cl)c1O ZINC000459533194 823213483 /nfs/dbraw/zinc/21/34/83/823213483.db2.gz FFJWTFJYGQKGNA-QGZVFWFLSA-N 1 0 383.319 4.490 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)Nc1ccc(-c2csnn2)cc1 ZINC000056787595 823213582 /nfs/dbraw/zinc/21/35/82/823213582.db2.gz IRUGKVFRVCRCME-UHFFFAOYSA-N 1 0 393.516 4.123 20 0 GIADRO COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC(=O)N(Cc3ccccc3)C1)CCCS2 ZINC000188281126 823213937 /nfs/dbraw/zinc/21/39/37/823213937.db2.gz PJAYGCSBWYARHL-RXVVDRJESA-N 1 0 396.556 4.261 20 0 GIADRO COc1ccc(-c2ccccc2C)cc1C[NH+]1CCC([C@@H](C)NC(C)=O)CC1 ZINC000459535150 823214203 /nfs/dbraw/zinc/21/42/03/823214203.db2.gz QAIJMXDDMDRUDI-GOSISDBHSA-N 1 0 380.532 4.407 20 0 GIADRO CCCC[NH+]1CCC(NC(=O)N2CCC(c3nc4cccc(C)c4o3)CC2)CC1 ZINC000188287046 823214344 /nfs/dbraw/zinc/21/43/44/823214344.db2.gz AGLXBFVOVOARJT-UHFFFAOYSA-N 1 0 398.551 4.290 20 0 GIADRO CC(C)CCn1ncc(NC(=O)Nc2ccc3c(c2)C[NH2+]CCO3)c1C(C)C ZINC000571653883 823214933 /nfs/dbraw/zinc/21/49/33/823214933.db2.gz RUNNQWBKYQCCAH-UHFFFAOYSA-N 1 0 385.512 4.179 20 0 GIADRO CC(C)[NH+]1CCC(NC(=O)N2CCC[C@H]2c2ccc(Br)cc2)CC1 ZINC000056794299 823215139 /nfs/dbraw/zinc/21/51/39/823215139.db2.gz IOZPOBVFBAOBAI-SFHVURJKSA-N 1 0 394.357 4.168 20 0 GIADRO C[N@@H+]1CCC[C@H](CCNC(=O)Nc2ccc(F)cc2OCCC(F)(F)F)C1 ZINC000459542616 823216060 /nfs/dbraw/zinc/21/60/60/823216060.db2.gz ARBMGOVITHGIEJ-CYBMUJFWSA-N 1 0 391.409 4.010 20 0 GIADRO CC(C)[C@H](CNC(=O)Nc1ccc(-c2nncs2)cc1)[NH+]1CCC(C)CC1 ZINC000459543321 823216246 /nfs/dbraw/zinc/21/62/46/823216246.db2.gz LLECEVPOZCSHPZ-SFHVURJKSA-N 1 0 387.553 4.083 20 0 GIADRO Cc1ccc([C@@H](OC[C@H](O)C[N@H+](C)CCc2ccccn2)c2ccccc2)cc1 ZINC000121624862 823218300 /nfs/dbraw/zinc/21/83/00/823218300.db2.gz HCQZYFSRISIMDG-RPBOFIJWSA-N 1 0 390.527 4.031 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1C[N@@H+]1CCC[C@@](CO)(c2ccccc2)C1 ZINC000459546496 823217267 /nfs/dbraw/zinc/21/72/67/823217267.db2.gz QXFMEOJKNYTPOH-JOCHJYFZSA-N 1 0 381.545 4.108 20 0 GIADRO C[C@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1ccc(Br)cc1C(F)(F)F ZINC000188308528 823217603 /nfs/dbraw/zinc/21/76/03/823217603.db2.gz VAOUYRUZSDACMZ-CABZTGNLSA-N 1 0 388.231 4.399 20 0 GIADRO c1c(C[N@@H+]2CCOC[C@H](C3CCC3)C2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459555035 823219563 /nfs/dbraw/zinc/21/95/63/823219563.db2.gz GVXAYXNPPHERHL-HXUWFJFHSA-N 1 0 380.536 4.309 20 0 GIADRO C[C@H]1CN(c2ccccc2C[NH2+]C[C@H](Cc2ccccc2)C(F)(F)F)CCO1 ZINC000459556063 823219775 /nfs/dbraw/zinc/21/97/75/823219775.db2.gz AVKDWWVHYAUKKR-PXNSSMCTSA-N 1 0 392.465 4.423 20 0 GIADRO COc1ccc(-c2ccccc2C)cc1C[NH2+][C@@H]1CCO[C@@H](c2nccn2C)C1 ZINC000459556924 823219799 /nfs/dbraw/zinc/21/97/99/823219799.db2.gz BWRMWHFCEWNLJZ-NFBKMPQASA-N 1 0 391.515 4.414 20 0 GIADRO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1ccc(-c2cncnc2)cc1F ZINC000188327188 823220327 /nfs/dbraw/zinc/22/03/27/823220327.db2.gz YLNSFOYFRMYXPC-UHFFFAOYSA-N 1 0 376.435 4.131 20 0 GIADRO Cc1nc2sccn2c(=O)c1CC[N@@H+]1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000459571569 823223094 /nfs/dbraw/zinc/22/30/94/823223094.db2.gz GPYRTGUNGOPUQM-IBGZPJMESA-N 1 0 379.529 4.224 20 0 GIADRO CCC(CC)(CNC(=O)c1cccc2oc(=O)[nH]c21)[NH2+][C@H](C)c1ccccc1 ZINC000571699117 823221325 /nfs/dbraw/zinc/22/13/25/823221325.db2.gz CJFKMWYWIQKDEQ-OAHLLOKOSA-N 1 0 381.476 4.173 20 0 GIADRO CN(CCCOc1ccc(F)cc1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176496682 823221362 /nfs/dbraw/zinc/22/13/62/823221362.db2.gz GBWFOQDMSWDREV-UHFFFAOYSA-N 1 0 391.531 4.033 20 0 GIADRO O=C(Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1)c1ccc2c[nH+]cn2c1 ZINC000571705533 823221932 /nfs/dbraw/zinc/22/19/32/823221932.db2.gz BYPHMNKGWNYTPV-UHFFFAOYSA-N 1 0 390.830 4.492 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)c2ccccc2N(C)C(=O)C2CC2)cc1 ZINC000188347091 823223223 /nfs/dbraw/zinc/22/32/23/823223223.db2.gz XQTAWBDKUZHNGM-UHFFFAOYSA-N 1 0 379.504 4.154 20 0 GIADRO CC(=O)Nc1ccc(CN2CCC([NH2+]C3CC(C)(c4ccccc4)C3)CC2)cc1 ZINC000459568883 823222419 /nfs/dbraw/zinc/22/24/19/823222419.db2.gz CAXIHVKWDIWCFN-UHFFFAOYSA-N 1 0 391.559 4.319 20 0 GIADRO COCc1cc(CN(CC[NH+]2CCCC2)Cc2ccc(Cl)c(Cl)c2)no1 ZINC000459570238 823222721 /nfs/dbraw/zinc/22/27/21/823222721.db2.gz ZJGKECAAGHJXFA-UHFFFAOYSA-N 1 0 398.334 4.226 20 0 GIADRO CCOc1cc(C[NH2+][C@H](C)c2ccc3n[nH]cc3c2)cc(Br)c1O ZINC000459552311 823218817 /nfs/dbraw/zinc/21/88/17/823218817.db2.gz VMVARPJBZMXLCU-LLVKDONJSA-N 1 0 390.281 4.281 20 0 GIADRO CCOc1cc(C[NH2+][C@@H](C)c2ccc3n[nH]cc3c2)cc(Br)c1O ZINC000459552312 823218909 /nfs/dbraw/zinc/21/89/09/823218909.db2.gz VMVARPJBZMXLCU-NSHDSACASA-N 1 0 390.281 4.281 20 0 GIADRO CC1CCN(c2ccc(NC(=O)N(CC[NH+](C)C)Cc3ccco3)cc2)CC1 ZINC000176505048 823223484 /nfs/dbraw/zinc/22/34/84/823223484.db2.gz YUXJDARBYVGTEM-UHFFFAOYSA-N 1 0 384.524 4.112 20 0 GIADRO Cc1ccc(-c2nnc([C@H](C)[N@@H+]3CC[C@@](C)(C(=O)OC(C)(C)C)C3)o2)cc1C ZINC000459576628 823223912 /nfs/dbraw/zinc/22/39/12/823223912.db2.gz GOCBVOFMBMDVSP-KSFYIVLOSA-N 1 0 385.508 4.468 20 0 GIADRO C[C@H](NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C)c1ccccc1C(F)(F)F ZINC000056853713 823224482 /nfs/dbraw/zinc/22/44/82/823224482.db2.gz PIZXMTXTYFBMGH-LRDDRELGSA-N 1 0 385.455 4.430 20 0 GIADRO COc1ccc(-c2ccc(CNC(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)s2)cc1 ZINC000176520479 823228092 /nfs/dbraw/zinc/22/80/92/823228092.db2.gz GYICIAMCAXUFBH-KRWDZBQOSA-N 1 0 399.560 4.051 20 0 GIADRO Cc1ccc(Nc2ccccc2C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000571723583 823225234 /nfs/dbraw/zinc/22/52/34/823225234.db2.gz LUGORXDPAAEWBW-WTIAFYNJSA-N 1 0 393.531 4.062 20 0 GIADRO Cc1noc(C2C[NH+](Cc3cn(-c4ccccc4)nc3-c3ccccc3C)C2)n1 ZINC000459603382 823228297 /nfs/dbraw/zinc/22/82/97/823228297.db2.gz HQYTZURVHNCRRB-UHFFFAOYSA-N 1 0 385.471 4.139 20 0 GIADRO C[C@@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)c1ccc(OCC2CC2)c(F)c1 ZINC000121677777 823228962 /nfs/dbraw/zinc/22/89/62/823228962.db2.gz MDBRROMAZCYOHZ-OAHLLOKOSA-N 1 0 386.467 4.163 20 0 GIADRO Cc1ccc(NC(=O)Cc2noc(-c3ccc(C[NH+]4CCCCC4)cc3)n2)cc1 ZINC000571748903 823229596 /nfs/dbraw/zinc/22/95/96/823229596.db2.gz LXTGPFJOMRYLGD-UHFFFAOYSA-N 1 0 390.487 4.212 20 0 GIADRO Cc1noc(C2C[NH+](Cc3cn(-c4ccccc4)nc3-c3ccc(C)cc3)C2)n1 ZINC000459613091 823229658 /nfs/dbraw/zinc/22/96/58/823229658.db2.gz VKWGBGZXZNBZEG-UHFFFAOYSA-N 1 0 385.471 4.139 20 0 GIADRO Cc1noc(C2C[NH+](Cc3cn(-c4ccccc4)nc3-c3ccc(C)c(C)c3)C2)n1 ZINC000459614629 823230266 /nfs/dbraw/zinc/23/02/66/823230266.db2.gz WZXXSAVRPSKJAN-UHFFFAOYSA-N 1 0 399.498 4.447 20 0 GIADRO C[C@H]1CCCC[C@@]1(C)[NH2+]Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000459618782 823230379 /nfs/dbraw/zinc/23/03/79/823230379.db2.gz SXWKAXRRPOEHKG-IFXJQAMLSA-N 1 0 378.563 4.272 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)Nc1ccc([C@H]2CCOC2)cc1 ZINC000571755517 823230715 /nfs/dbraw/zinc/23/07/15/823230715.db2.gz DSSDHFCEHYFSSC-NRFANRHFSA-N 1 0 379.504 4.108 20 0 GIADRO C[C@@H](C(=O)Nc1ccc(OCC[NH+](C)C)cc1)c1ccc(C(F)(F)F)cc1 ZINC000409486264 823232246 /nfs/dbraw/zinc/23/22/46/823232246.db2.gz NDCHLAARUPPYAU-CQSZACIVSA-N 1 0 380.410 4.388 20 0 GIADRO CSc1cccc(F)c1C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000409472551 823228630 /nfs/dbraw/zinc/22/86/30/823228630.db2.gz VFUWNQIFRZDSII-UHFFFAOYSA-N 1 0 384.520 4.211 20 0 GIADRO Fc1ccc(OCCC[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)cc1 ZINC000459630472 823232698 /nfs/dbraw/zinc/23/26/98/823232698.db2.gz AHVCGKYRJCMQOW-KRWDZBQOSA-N 1 0 375.406 4.276 20 0 GIADRO CSc1ccc(CNC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000056943892 823233219 /nfs/dbraw/zinc/23/32/19/823233219.db2.gz RSNRQRKAGIXILE-QGZVFWFLSA-N 1 0 375.563 4.106 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)CCCc1cccnc1)C(=O)Nc1ccccc1C(F)(F)F ZINC000459634288 823234328 /nfs/dbraw/zinc/23/43/28/823234328.db2.gz FKLYHHVPTSCLBN-LSDHHAIUSA-N 1 0 379.426 4.428 20 0 GIADRO C[C@@H](CCCc1cccnc1)[NH2+]CC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000459639285 823235237 /nfs/dbraw/zinc/23/52/37/823235237.db2.gz KCQPEJDCPPXCRS-FDDCHVKYSA-N 1 0 393.556 4.350 20 0 GIADRO C[C@H](CCCc1cccnc1)[NH2+][C@@H](C)C(=O)Nc1cccc(Br)c1 ZINC000459645350 823236912 /nfs/dbraw/zinc/23/69/12/823236912.db2.gz QUXPPGOEDFWBSZ-CABCVRRESA-N 1 0 390.325 4.172 20 0 GIADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CC[C@@H](C(F)(F)F)C3(CCC3)C2)C1 ZINC000571779066 823233197 /nfs/dbraw/zinc/23/31/97/823233197.db2.gz GEFUIYMAGJNSHB-DLBZAZTESA-N 1 0 389.506 4.119 20 0 GIADRO C[C@@H](CCCc1cccnc1)[NH2+][C@@H](C)C(=O)Nc1ccc(Br)cc1 ZINC000459649854 823238818 /nfs/dbraw/zinc/23/88/18/823238818.db2.gz WHTPZMWVYWNFIK-GJZGRUSLSA-N 1 0 390.325 4.172 20 0 GIADRO COc1ccc(C[NH2+][C@H](C)CCCc2cccnc2)c(Br)c1OC ZINC000459649833 823238876 /nfs/dbraw/zinc/23/88/76/823238876.db2.gz WFWOTWUQMYJMHC-CQSZACIVSA-N 1 0 393.325 4.362 20 0 GIADRO FC(F)(F)[C@@H]1CC[N@H+](Cc2cnn(-c3ccccc3)c2)CC12CCOCC2 ZINC000459651164 823239170 /nfs/dbraw/zinc/23/91/70/823239170.db2.gz YXFHDOOVDPDPRO-GOSISDBHSA-N 1 0 379.426 4.053 20 0 GIADRO FC(F)(F)[C@@H]1CC[N@H+](Cc2cnc(-c3ccccn3)s2)CC12CCOCC2 ZINC000459652133 823239508 /nfs/dbraw/zinc/23/95/08/823239508.db2.gz QHSPXOQDDXYREO-MRXNPFEDSA-N 1 0 397.466 4.386 20 0 GIADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)NCC2(c3ccccc3)CCCC2)CC1 ZINC000121734689 823239752 /nfs/dbraw/zinc/23/97/52/823239752.db2.gz KOXFTXNNDRKJRT-UHFFFAOYSA-N 1 0 395.547 4.397 20 0 GIADRO Fc1ccc(-n2cc(C[N@@H+]3CC[C@@H](C(F)(F)F)C4(CCOCC4)C3)cn2)cc1 ZINC000459653277 823239965 /nfs/dbraw/zinc/23/99/65/823239965.db2.gz RCPYCOAJJKPCET-GOSISDBHSA-N 1 0 397.416 4.192 20 0 GIADRO O=S(=O)(CCC[NH2+]Cc1ccc(C(F)(F)F)s1)c1ccc(Cl)cc1 ZINC000571824294 823240143 /nfs/dbraw/zinc/24/01/43/823240143.db2.gz UASWHSOTEPFWLV-UHFFFAOYSA-N 1 0 397.871 4.374 20 0 GIADRO FC(F)(F)[C@@H]1CC[N@H+](Cc2cnn(Cc3ccccc3)c2)CC12CCOCC2 ZINC000459652488 823240166 /nfs/dbraw/zinc/24/01/66/823240166.db2.gz BXVMXUGJKFHATH-LJQANCHMSA-N 1 0 393.453 4.112 20 0 GIADRO O=C(CCCc1ccccc1Br)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000121743940 823241292 /nfs/dbraw/zinc/24/12/92/823241292.db2.gz IXBDGDIZZDIJSA-SFHVURJKSA-N 1 0 393.369 4.249 20 0 GIADRO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+][C@@H]1C[C@H]1c1ccccc1F ZINC000459659200 823242861 /nfs/dbraw/zinc/24/28/61/823242861.db2.gz QXADWVRZRUVAOV-XWRIVVANSA-N 1 0 395.478 4.037 20 0 GIADRO OC[C@@]1(Cc2ccc(F)cc2)CC[N@H+](CCOc2cccc3ccccc32)C1 ZINC000571837135 823242133 /nfs/dbraw/zinc/24/21/33/823242133.db2.gz BDZNVFIAALABRY-XMMPIXPASA-N 1 0 379.475 4.285 20 0 GIADRO COc1ccccc1NC(=O)C[C@@H](C)[NH2+]Cc1ccc(Br)c(C)c1 ZINC000459657429 823242158 /nfs/dbraw/zinc/24/21/58/823242158.db2.gz HWUWRKAQPWZKFT-CQSZACIVSA-N 1 0 391.309 4.273 20 0 GIADRO Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459659744 823243160 /nfs/dbraw/zinc/24/31/60/823243160.db2.gz ZNISURLQDMDYQT-KRWDZBQOSA-N 1 0 387.490 4.436 20 0 GIADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H](C)c1cncc(F)c1 ZINC000459659765 823243302 /nfs/dbraw/zinc/24/33/02/823243302.db2.gz ZPQMBEMBYDAXAZ-NEPJUHHUSA-N 1 0 380.261 4.051 20 0 GIADRO FC(F)(F)[C@@H]1CC[N@H+](Cc2cncn2Cc2ccccc2)CC12CCOCC2 ZINC000459662743 823244599 /nfs/dbraw/zinc/24/45/99/823244599.db2.gz NSXHFHPAUXAGPL-LJQANCHMSA-N 1 0 393.453 4.112 20 0 GIADRO COc1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)cc1SC ZINC000459664264 823245017 /nfs/dbraw/zinc/24/50/17/823245017.db2.gz FSKBQJATNVCFIT-CRAIPNDOSA-N 1 0 385.533 4.202 20 0 GIADRO C[C@H](NC(=O)N1CCC([NH+]2CCCC2)CC1)c1ccc(-c2cccnc2)cc1 ZINC000176602118 823245886 /nfs/dbraw/zinc/24/58/86/823245886.db2.gz ATAWWJKSQRLBNI-SFHVURJKSA-N 1 0 378.520 4.079 20 0 GIADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N(Cc2cccs2)Cc2cccs2)C1 ZINC000176602435 823246204 /nfs/dbraw/zinc/24/62/04/823246204.db2.gz ICGZASREYPYFDN-JKSUJKDBSA-N 1 0 377.579 4.394 20 0 GIADRO COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000459668454 823246459 /nfs/dbraw/zinc/24/64/59/823246459.db2.gz QHVWHSZJNPRDRA-OGHNNQOOSA-N 1 0 376.859 4.351 20 0 GIADRO CCCCn1nc(C)c(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c1Cl ZINC000121769110 823247005 /nfs/dbraw/zinc/24/70/05/823247005.db2.gz OBVQDEUMRTXYFD-MRXNPFEDSA-N 1 0 386.931 4.067 20 0 GIADRO Fc1ccc(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)cc1C(F)(F)F ZINC000121776166 823247925 /nfs/dbraw/zinc/24/79/25/823247925.db2.gz PGFUCGUOHXQOTI-AWEZNQCLSA-N 1 0 378.373 4.267 20 0 GIADRO CSC1(C[N@H+](C)Cc2cccc(NS(=O)(=O)c3ccccc3)c2)CCC1 ZINC000571870656 823248073 /nfs/dbraw/zinc/24/80/73/823248073.db2.gz YTCYWESEIHLVJQ-UHFFFAOYSA-N 1 0 390.574 4.205 20 0 GIADRO COc1ccc(NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1SC ZINC000459675680 823248380 /nfs/dbraw/zinc/24/83/80/823248380.db2.gz NGGXFLIEFRAAGD-HDICACEKSA-N 1 0 397.544 4.013 20 0 GIADRO FC(F)Oc1ccc(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)cc1Cl ZINC000121791315 823252450 /nfs/dbraw/zinc/25/24/50/823252450.db2.gz HBWOLTGVEDKGNC-CQSZACIVSA-N 1 0 392.837 4.364 20 0 GIADRO Cc1ccc([C@@H]2CCCCCN2C(=O)NC2CC[NH+](CCOC(C)C)CC2)o1 ZINC000176615694 823249474 /nfs/dbraw/zinc/24/94/74/823249474.db2.gz PFWKQBBCHFMDPO-FQEVSTJZSA-N 1 0 391.556 4.104 20 0 GIADRO COc1cc(NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)cc(OC)c1Cl ZINC000459682940 823250042 /nfs/dbraw/zinc/25/00/42/823250042.db2.gz TYGOPMYLGJMLBF-AWEZNQCLSA-N 1 0 383.920 4.133 20 0 GIADRO Cn1c(-c2ccccc2)cn(CN2CC[NH+](CCc3cccs3)CC2)c1=S ZINC000057104504 823250020 /nfs/dbraw/zinc/25/00/20/823250020.db2.gz ROCJTYLHMPONFG-UHFFFAOYSA-N 1 0 398.601 4.102 20 0 GIADRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cscc2C(F)(F)F)cc1 ZINC000571889791 823250097 /nfs/dbraw/zinc/25/00/97/823250097.db2.gz CBFWZMSSUILKRM-LLVKDONJSA-N 1 0 377.453 4.411 20 0 GIADRO O=C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000409565161 823250482 /nfs/dbraw/zinc/25/04/82/823250482.db2.gz IKTWZCILUJLJLA-XZOQPEGZSA-N 1 0 378.516 4.180 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)C2(Cc3ccccc3F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000188494580 823250581 /nfs/dbraw/zinc/25/05/81/823250581.db2.gz WKCLDUPQLLJYTG-WIYYLYMNSA-N 1 0 380.507 4.318 20 0 GIADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)CCCC3CCOCC3)cc2)C1 ZINC000409575646 823252618 /nfs/dbraw/zinc/25/26/18/823252618.db2.gz LMZXWAFJJKHNOV-WOJBJXKFSA-N 1 0 386.580 4.378 20 0 GIADRO CCOc1ccc(C(C)=O)cc1CN(Cc1cccc(O)c1)[C@H]1CC[C@H](O)CC1 ZINC000571894078 823250791 /nfs/dbraw/zinc/25/07/91/823250791.db2.gz UNIGWUFZMGFJID-HZCBDIJESA-N 1 0 397.515 4.299 20 0 GIADRO CN(CCc1cccs1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000176623573 823251382 /nfs/dbraw/zinc/25/13/82/823251382.db2.gz DFUHJWZPBQAZQH-IHWFROFDSA-N 1 0 383.561 4.128 20 0 GIADRO C[N@H+](CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000459692958 823251919 /nfs/dbraw/zinc/25/19/19/823251919.db2.gz ILVAQVNRVITLNG-XLIONFOSSA-N 1 0 399.922 4.036 20 0 GIADRO C[NH+](C)CCN(Cc1ccccc1)C(=O)N[C@H](CC(F)(F)F)c1ccccc1 ZINC000057131242 823253259 /nfs/dbraw/zinc/25/32/59/823253259.db2.gz JNDPASVPTVBUSO-LJQANCHMSA-N 1 0 393.453 4.454 20 0 GIADRO COc1cccc2c1C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F)C2 ZINC000459704090 823253839 /nfs/dbraw/zinc/25/38/39/823253839.db2.gz PJUWOWUCTJQEPG-ZFWWWQNUSA-N 1 0 392.421 4.188 20 0 GIADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)CC2CC(c3ccccc3)C2)cc1 ZINC000409586023 823255099 /nfs/dbraw/zinc/25/50/99/823255099.db2.gz SETLQFPDEJMFPE-UHFFFAOYSA-N 1 0 379.504 4.099 20 0 GIADRO C[C@@H]([NH2+]CC1CCN(CC(F)(F)F)CC1)c1nc2ccc(Cl)cc2n1C ZINC000188518208 823255241 /nfs/dbraw/zinc/25/52/41/823255241.db2.gz GAULTNBGCUGDEQ-GFCCVEGCSA-N 1 0 388.865 4.152 20 0 GIADRO Cc1nc2c(F)cccc2cc1C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000571927312 823255300 /nfs/dbraw/zinc/25/53/00/823255300.db2.gz VSKCRAHMFJPFAV-UHFFFAOYSA-N 1 0 391.490 4.419 20 0 GIADRO C#CC[NH+]1CCC(C(=O)Nc2nc(-c3cccc4ccccc43)cs2)CC1 ZINC000057152050 823255470 /nfs/dbraw/zinc/25/54/70/823255470.db2.gz FCTYMDLMOLKTBN-UHFFFAOYSA-N 1 0 375.497 4.247 20 0 GIADRO COc1ccc([C@H](CO)C[NH2+]Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)cc1 ZINC000459730779 823257953 /nfs/dbraw/zinc/25/79/53/823257953.db2.gz HXCIJZNKQSOBEQ-SFHVURJKSA-N 1 0 399.922 4.017 20 0 GIADRO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]C1CCC(C(F)F)CC1 ZINC000459718565 823256122 /nfs/dbraw/zinc/25/61/22/823256122.db2.gz VHCZHWXDLUVHFB-VQCLRJIVSA-N 1 0 393.478 4.166 20 0 GIADRO Fc1cccc(C[N@@H+]2CCC[C@@H](c3nc([C@@H]4COc5ccccc5O4)no3)C2)c1 ZINC000571935361 823256868 /nfs/dbraw/zinc/25/68/68/823256868.db2.gz KRXSRVZVRYVMQH-UZLBHIALSA-N 1 0 395.434 4.101 20 0 GIADRO C[C@H](CNC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1)[NH+]1CCCCC1 ZINC000057164298 823257314 /nfs/dbraw/zinc/25/73/14/823257314.db2.gz KFEJGFPWGAEOLX-SJORKVTESA-N 1 0 386.565 4.060 20 0 GIADRO O=C(Nc1ccc(-c2ccc(Cl)cc2Cl)nc1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000571935975 823257311 /nfs/dbraw/zinc/25/73/11/823257311.db2.gz RLRDJZWPSADVTI-IBGZPJMESA-N 1 0 391.302 4.273 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCC(CC(F)(F)F)CC1 ZINC000571945743 823258233 /nfs/dbraw/zinc/25/82/33/823258233.db2.gz QMZLUEHHUMVHRF-UHFFFAOYSA-N 1 0 385.474 4.402 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)CCc2ccc(C(F)(F)F)cc2)[C@H]1n1cccn1 ZINC000571945027 823258280 /nfs/dbraw/zinc/25/82/80/823258280.db2.gz PNHIOHYMZIGIMF-WQANXHIZSA-N 1 0 381.442 4.231 20 0 GIADRO Cc1nccc(-c2cccc(NC(=O)[C@H]3CCC[N@H+](Cc4ccccc4)C3)c2)n1 ZINC000057169312 823258472 /nfs/dbraw/zinc/25/84/72/823258472.db2.gz JQRLLGMONJCTHF-NRFANRHFSA-N 1 0 386.499 4.303 20 0 GIADRO Cc1nc(CCCC(=O)Nc2ccc(OCC[NH+]3CCCC3)c(C)c2)cs1 ZINC000176656168 823258937 /nfs/dbraw/zinc/25/89/37/823258937.db2.gz AUZIVRDWYNIPQP-UHFFFAOYSA-N 1 0 387.549 4.196 20 0 GIADRO FC(F)(F)c1ccc(-c2n[nH]cc2C[N@@H+]2CC3(CCC3)[C@@H]3COC[C@H]32)cc1 ZINC000459741491 823259083 /nfs/dbraw/zinc/25/90/83/823259083.db2.gz YJGXOGRBOWHNKV-IAGOWNOFSA-N 1 0 377.410 4.096 20 0 GIADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(Cc2ccccc2)Cc2ccccc2)C1 ZINC000409603996 823259479 /nfs/dbraw/zinc/25/94/79/823259479.db2.gz LWJYNNGWAUXMPU-QHCPKHFHSA-N 1 0 378.560 4.325 20 0 GIADRO Cc1nc(COc2ccc(C[N@@H+]3CC[C@@H](O)[C@H](C4CCCC4)C3)cc2)cs1 ZINC000459745219 823259646 /nfs/dbraw/zinc/25/96/46/823259646.db2.gz FDMNGLMDANRXLM-FCHUYYIVSA-N 1 0 386.561 4.404 20 0 GIADRO O=C(Nc1cc(F)c(N2CCCC2)c(F)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000057177902 823259927 /nfs/dbraw/zinc/25/99/27/823259927.db2.gz LHRIQWOMFCVSOU-UHFFFAOYSA-N 1 0 399.485 4.416 20 0 GIADRO C[C@H](C(=O)NCc1ccccc1OCC[NH+](C)C)c1ccc(C(F)(F)F)cc1 ZINC000409605666 823260033 /nfs/dbraw/zinc/26/00/33/823260033.db2.gz YYISRNINDHHSCA-HNNXBMFYSA-N 1 0 394.437 4.066 20 0 GIADRO FC(F)C1CCC([NH2+][C@@H]2CCO[C@H]2c2cncc(Br)c2)CC1 ZINC000459751922 823260680 /nfs/dbraw/zinc/26/06/80/823260680.db2.gz BUFXMGTVMGRVHQ-KPJCXARXSA-N 1 0 375.257 4.088 20 0 GIADRO O=C(c1ccc(C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)cc1)N1CCCC1 ZINC000121852015 823263298 /nfs/dbraw/zinc/26/32/98/823263298.db2.gz KJFPSWUHKDKAHO-YADHBBJMSA-N 1 0 396.531 4.384 20 0 GIADRO C[C@@H](C(=O)NCCC[NH+](Cc1ccccc1)Cc1ccccc1)c1cccnc1 ZINC000176664678 823261113 /nfs/dbraw/zinc/26/11/13/823261113.db2.gz MZHNCIPKLDDSDH-OAQYLSRUSA-N 1 0 387.527 4.394 20 0 GIADRO C[C@H]1[C@H](c2ccccc2)C[C@@H]1[NH2+][C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000459757914 823261238 /nfs/dbraw/zinc/26/12/38/823261238.db2.gz IAGGFRROLXBEHD-XGBLFZJKSA-N 1 0 387.321 4.456 20 0 GIADRO C[C@@H](Cc1cccc(F)c1)[N@H+](C)CC(=O)N[C@@H](c1nccs1)c1ccccc1 ZINC000459757664 823261310 /nfs/dbraw/zinc/26/13/10/823261310.db2.gz HOTIGSLLNNAOLA-HRAATJIYSA-N 1 0 397.519 4.051 20 0 GIADRO C[C@@H]1C[C@H](CCNC(=O)NC[C@@H]2CCCC(F)(F)C2)C[N@@H+]1Cc1ccccc1 ZINC000409613063 823261665 /nfs/dbraw/zinc/26/16/65/823261665.db2.gz UTFHEVIULOQVRD-YZGWKJHDSA-N 1 0 393.522 4.412 20 0 GIADRO C[C@@H](CCCC(F)(F)F)[NH2+][C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000459768128 823262291 /nfs/dbraw/zinc/26/22/91/823262291.db2.gz QJNYUIAZURTVMC-GDLCADMTSA-N 1 0 381.236 4.385 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)c2ccc(CCC(F)(F)F)cc2)cc1F ZINC000121849613 823262410 /nfs/dbraw/zinc/26/24/10/823262410.db2.gz STFVBNQRDJMPBW-UHFFFAOYSA-N 1 0 382.401 4.312 20 0 GIADRO COc1ccc(NC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1SC ZINC000459775470 823263560 /nfs/dbraw/zinc/26/35/60/823263560.db2.gz QHNJXHILFSZFHE-GOSISDBHSA-N 1 0 399.560 4.403 20 0 GIADRO Cc1c(NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cccc1-c1ncco1 ZINC000571974641 823263691 /nfs/dbraw/zinc/26/36/91/823263691.db2.gz LFVYTBQLWCXJTQ-LJQANCHMSA-N 1 0 390.487 4.388 20 0 GIADRO Cc1c(NC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cccc1-c1ncco1 ZINC000571974638 823263885 /nfs/dbraw/zinc/26/38/85/823263885.db2.gz LFVYTBQLWCXJTQ-IBGZPJMESA-N 1 0 390.487 4.388 20 0 GIADRO O[C@@H](C[C@H]1CCCCC[N@@H+]1Cc1nc(-c2ccc(F)cc2)no1)c1ccco1 ZINC000121862111 823265342 /nfs/dbraw/zinc/26/53/42/823265342.db2.gz XOHLCWXNJIVHPI-MSOLQXFVSA-N 1 0 385.439 4.337 20 0 GIADRO Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]C1CCN(C(=O)c2ccoc2)CC1 ZINC000121863438 823265500 /nfs/dbraw/zinc/26/55/00/823265500.db2.gz IVQQDWTVVWWEGN-LJQANCHMSA-N 1 0 388.895 4.350 20 0 GIADRO Cc1c(Cl)cc(NC(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)cc1Cl ZINC000572011331 823269405 /nfs/dbraw/zinc/26/94/05/823269405.db2.gz BOTVBUQDABGPTI-HNNXBMFYSA-N 1 0 386.323 4.020 20 0 GIADRO O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)c1ccc2ccccc2c1 ZINC000003917118 817495059 /nfs/dbraw/zinc/49/50/59/817495059.db2.gz DYRKPBYOZVLBCF-UHFFFAOYSA-N 1 0 387.527 4.172 20 0 GIADRO C[C@H](CCCOc1ccccc1C(N)=O)[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000121870734 823267038 /nfs/dbraw/zinc/26/70/38/823267038.db2.gz RQOZTFZSJAHJQJ-RDTXWAMCSA-N 1 0 388.508 4.299 20 0 GIADRO CN(C)[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)c1cccc(Cl)c1 ZINC000409634756 823268156 /nfs/dbraw/zinc/26/81/56/823268156.db2.gz FXGMJYPLKWWCQP-JOCHJYFZSA-N 1 0 399.966 4.245 20 0 GIADRO C/C(=C\c1ccc(F)cc1)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000176689684 823268668 /nfs/dbraw/zinc/26/86/68/823268668.db2.gz NXHSOBRKHNDSHV-YMIFCHIISA-N 1 0 396.506 4.245 20 0 GIADRO C[C@@H]1C[N@@H+](CCCCNC(=O)CC(c2ccccc2)c2ccccc2)C[C@H](C)O1 ZINC000176695616 823269861 /nfs/dbraw/zinc/26/98/61/823269861.db2.gz UXABJPLAHWTYDB-OYRHEFFESA-N 1 0 394.559 4.214 20 0 GIADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc(-c2ccco2)nn1-c1ccccc1 ZINC000004707952 817533306 /nfs/dbraw/zinc/53/33/06/817533306.db2.gz JBDKATJPPZFENS-GOSISDBHSA-N 1 0 394.519 4.373 20 0 GIADRO Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)c(C)c1 ZINC000188603560 823270917 /nfs/dbraw/zinc/27/09/17/823270917.db2.gz BXDOYISEKZGURT-BXWFABGCSA-N 1 0 386.458 4.094 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)N([C@H](C)C(C)C)C3CC3)CC2)cc1 ZINC000121889715 823270999 /nfs/dbraw/zinc/27/09/99/823270999.db2.gz YDOIRWPNHVQIIC-GOSISDBHSA-N 1 0 387.568 4.126 20 0 GIADRO [NH3+]Cc1ccc(CNC(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)cc1 ZINC000572032425 823271685 /nfs/dbraw/zinc/27/16/85/823271685.db2.gz NXXPNILINJOKOR-UHFFFAOYSA-N 1 0 398.894 4.029 20 0 GIADRO CC1(C(=O)Nc2nccc(-c3ccccc3)n2)CC[NH+](Cc2ccccc2)CC1 ZINC000459913341 823271757 /nfs/dbraw/zinc/27/17/57/823271757.db2.gz WFXIXMLTJFZLME-UHFFFAOYSA-N 1 0 386.499 4.384 20 0 GIADRO CC[C@@H](OC1CCCCC1)C(=O)Nc1cccc(NC(=O)C[NH+](CC)CC)c1 ZINC000572033747 823272079 /nfs/dbraw/zinc/27/20/79/823272079.db2.gz FLIWRBDSLSIJOX-HXUWFJFHSA-N 1 0 389.540 4.033 20 0 GIADRO O=C(N[C@H](c1cccc(F)c1)c1ccccn1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000121896852 823272152 /nfs/dbraw/zinc/27/21/52/823272152.db2.gz KZEGQRWARNFDDB-PGRDOPGGSA-N 1 0 381.495 4.081 20 0 GIADRO C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000121901193 823273126 /nfs/dbraw/zinc/27/31/26/823273126.db2.gz ZELCMWSHAQUJNI-KBPBESRZSA-N 1 0 396.350 4.134 20 0 GIADRO CC1=NN(c2ccc(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)cc2)CC1 ZINC000176724041 823278082 /nfs/dbraw/zinc/27/80/82/823278082.db2.gz RTGLBNKTRUBGMM-DENIHFKCSA-N 1 0 390.531 4.056 20 0 GIADRO CC[NH+](CC)[C@@H](c1nc(-c2ccc(Cn3cccn3)cc2)no1)c1ccccc1 ZINC000572077153 823278608 /nfs/dbraw/zinc/27/86/08/823278608.db2.gz VCMIOXQTEHPIQB-OAQYLSRUSA-N 1 0 387.487 4.413 20 0 GIADRO CC(C)(CO)[C@@H](NCc1nn(-c2ccc(F)cc2)c2c1CCC2)c1cccs1 ZINC000572079765 823279322 /nfs/dbraw/zinc/27/93/22/823279322.db2.gz PXPLYYQPOMJOLV-NRFANRHFSA-N 1 0 399.535 4.411 20 0 GIADRO O=C(c1cccnc1Oc1ccc(Cl)cc1Cl)N1CC[NH+]2CCC1CC2 ZINC000188624490 823275448 /nfs/dbraw/zinc/27/54/48/823275448.db2.gz ZUSLGVYOOAHRLV-UHFFFAOYSA-N 1 0 392.286 4.101 20 0 GIADRO COc1cc(C)c([C@H](C)[NH2+]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)cc1OC ZINC000188626460 823275757 /nfs/dbraw/zinc/27/57/57/823275757.db2.gz DKJXKWUWAGQADT-SUNYJGFJSA-N 1 0 375.431 4.146 20 0 GIADRO CSC[C@@H](C)NC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000572061785 823276334 /nfs/dbraw/zinc/27/63/34/823276334.db2.gz BCMPWWMILGSZBN-QNBCLJFBSA-N 1 0 396.000 4.305 20 0 GIADRO CCc1nc2cc(C[NH2+][C@@H]3CCC[C@@H](c4ccnn4C)C3)ccc2n1C1CC1 ZINC000572063450 823276527 /nfs/dbraw/zinc/27/65/27/823276527.db2.gz XILUXCUVOPWJFI-QZTJIDSGSA-N 1 0 377.536 4.483 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)N1CCC[C@@H]1c1ccccc1Cl ZINC000121934765 823280227 /nfs/dbraw/zinc/28/02/27/823280227.db2.gz QXNWHEJTGFQAFE-OAQYLSRUSA-N 1 0 398.938 4.246 20 0 GIADRO C[NH+](C)CCN(CCCc1ccccc1)C(=O)c1cccc(-c2cscn2)c1 ZINC000409665839 823277867 /nfs/dbraw/zinc/27/78/67/823277867.db2.gz LYRNONWJPAWKGU-UHFFFAOYSA-N 1 0 393.556 4.447 20 0 GIADRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)Nc1ccc(Br)cc1 ZINC000409665476 823277872 /nfs/dbraw/zinc/27/78/72/823277872.db2.gz KJIXAYFGLKAFAI-UHFFFAOYSA-N 1 0 394.288 4.184 20 0 GIADRO COc1cc(C[NH2+]C[C@H](c2ccccc2)C(F)(F)F)ccc1OC(=O)C1CC1 ZINC000188662670 823282173 /nfs/dbraw/zinc/28/21/73/823282173.db2.gz BWKSJYKDCOUEFX-QGZVFWFLSA-N 1 0 393.405 4.446 20 0 GIADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc3c(c2)nc(C(F)F)n3C)C1 ZINC000409685346 823282481 /nfs/dbraw/zinc/28/24/81/823282481.db2.gz KOCYUEIIBJPPCJ-AWEZNQCLSA-N 1 0 392.494 4.141 20 0 GIADRO CC[NH+](CC)CCOC(=O)c1ccc(NC(=S)Nc2cccc(C)c2)cc1 ZINC000006629861 817712727 /nfs/dbraw/zinc/71/27/27/817712727.db2.gz BTXQBCNGZUCWJV-UHFFFAOYSA-N 1 0 385.533 4.303 20 0 GIADRO C[NH+]1CCC(Oc2ccc(CNC(=O)Nc3ccc4cnccc4c3)cc2)CC1 ZINC000572113921 823285634 /nfs/dbraw/zinc/28/56/34/823285634.db2.gz YXZQOZOICZOBKT-UHFFFAOYSA-N 1 0 390.487 4.030 20 0 GIADRO COc1cccc2c1CCC[C@@H]2[NH2+]CC(=O)Nc1ccc(Br)cc1 ZINC000572101816 823283504 /nfs/dbraw/zinc/28/35/04/823283504.db2.gz MGRSYSQUYMRBQD-KRWDZBQOSA-N 1 0 389.293 4.063 20 0 GIADRO CCn1c2ccccc2c2cc(C[NH2+]CCNC(=O)c3cccs3)ccc21 ZINC000006947760 817727900 /nfs/dbraw/zinc/72/79/00/817727900.db2.gz DLZHKLXXODMEJB-UHFFFAOYSA-N 1 0 377.513 4.396 20 0 GIADRO C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000188676261 823284685 /nfs/dbraw/zinc/28/46/85/823284685.db2.gz AGQNHGBPANHABN-HNNXBMFYSA-N 1 0 386.458 4.053 20 0 GIADRO C[C@@H]1CCC[C@@](CNC(=O)N(C)[C@H]2CC[C@@H](C(F)(F)F)CC2)([NH+](C)C)C1 ZINC000460108065 823286180 /nfs/dbraw/zinc/28/61/80/823286180.db2.gz FMXWCCOBDPTDCP-XLMAVXFVSA-N 1 0 377.495 4.259 20 0 GIADRO Cc1cc(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)c2cnn(C(C)C)c2n1 ZINC000121969683 823286464 /nfs/dbraw/zinc/28/64/64/823286464.db2.gz SJCJPVHRNYZYGC-UHFFFAOYSA-N 1 0 393.535 4.091 20 0 GIADRO O=C(COc1ccccc1C[NH+]1CCC(c2ccsc2)CC1)N1CCCC1 ZINC000188694086 823287394 /nfs/dbraw/zinc/28/73/94/823287394.db2.gz BCRUBAXAGGOXJV-UHFFFAOYSA-N 1 0 384.545 4.129 20 0 GIADRO Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]Cc1ccc(CS(C)(=O)=O)cc1 ZINC000121978242 823287968 /nfs/dbraw/zinc/28/79/68/823287968.db2.gz PNYZWCBYDWCJEL-IBGZPJMESA-N 1 0 393.936 4.197 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N[C@H]1COCc2ccccc21 ZINC000572133231 823288233 /nfs/dbraw/zinc/28/82/33/823288233.db2.gz HDLZSYLELALBGK-MBSDFSHPSA-N 1 0 393.531 4.132 20 0 GIADRO CC(C)[C@@H](C)[N@@H+]1Cc2cccc(N[C@@H](C)C(=O)N3CCc4ccccc43)c2C1 ZINC000572141804 823289237 /nfs/dbraw/zinc/28/92/37/823289237.db2.gz BJEJKSYANBBWIS-ZWKOTPCHSA-N 1 0 377.532 4.436 20 0 GIADRO Cc1cc(Cl)ccc1NC(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000176771319 823289223 /nfs/dbraw/zinc/28/92/23/823289223.db2.gz MUMSQJDTBAVGRK-IAGOWNOFSA-N 1 0 393.959 4.392 20 0 GIADRO CC(C)[C@@H]([NH2+]C[C@@H](O)COCc1ccccc1Cl)c1nc2ccccc2[nH]1 ZINC000572149070 823290639 /nfs/dbraw/zinc/29/06/39/823290639.db2.gz QNMFLYYOVUYSJY-OXQOHEQNSA-N 1 0 387.911 4.081 20 0 GIADRO CCN(C(=O)Nc1ccc(-n2cccn2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000460130452 823290875 /nfs/dbraw/zinc/29/08/75/823290875.db2.gz LXLNXHMYXDADIK-QFIPXVFZSA-N 1 0 389.503 4.001 20 0 GIADRO C[N@@H+]1CCCC12CCN(c1ccnc3c(Br)ccc(F)c13)CC2 ZINC000409723406 823290851 /nfs/dbraw/zinc/29/08/51/823290851.db2.gz SAUUPZJHHFRSNO-UHFFFAOYSA-N 1 0 378.289 4.201 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccccc1OC(F)F)c1cccc(NS(C)(=O)=O)c1 ZINC000122007229 823292142 /nfs/dbraw/zinc/29/21/42/823292142.db2.gz WCEFRAXAAJLFRD-OLZOCXBDSA-N 1 0 384.448 4.071 20 0 GIADRO COc1ccc(NC(=O)C[C@H](C)[NH2+]Cc2cccc(CSC)c2)c(OC)c1 ZINC000188719325 823292719 /nfs/dbraw/zinc/29/27/19/823292719.db2.gz NYQGQPUWQAFWQH-HNNXBMFYSA-N 1 0 388.533 4.074 20 0 GIADRO S=C(NCCSc1ccccc1)NCc1ccccc1C[NH+]1CCCC1 ZINC000007464202 817848030 /nfs/dbraw/zinc/84/80/30/817848030.db2.gz VGVKDKBBGVFMNB-UHFFFAOYSA-N 1 0 385.602 4.039 20 0 GIADRO Cc1cccc(C)c1OCC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000007492180 817854010 /nfs/dbraw/zinc/85/40/10/817854010.db2.gz CCZZMXFAESDHQL-UHFFFAOYSA-N 1 0 386.923 4.116 20 0 GIADRO O=C(COc1cccc(Cl)c1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000007492187 817854119 /nfs/dbraw/zinc/85/41/19/817854119.db2.gz BYWRAQBCVPZZRE-UHFFFAOYSA-N 1 0 393.314 4.153 20 0 GIADRO CC1(C)CC(NC(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)CC(C)(C)[NH2+]1 ZINC000057425739 823294447 /nfs/dbraw/zinc/29/44/47/823294447.db2.gz UIBKDLDJUCGQIR-UHFFFAOYSA-N 1 0 388.943 4.198 20 0 GIADRO Fc1ccc(NC(=S)NC2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000007571190 817871683 /nfs/dbraw/zinc/87/16/83/817871683.db2.gz BNEBXJPRIMGAKV-UHFFFAOYSA-N 1 0 377.916 4.430 20 0 GIADRO CC[C@H](C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1)c1c(C)noc1C ZINC000409735041 823294732 /nfs/dbraw/zinc/29/47/32/823294732.db2.gz ZHBQHINEDSYAGP-NRFANRHFSA-N 1 0 383.536 4.333 20 0 GIADRO CCC(CC)N(CC)C(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000460140682 823294884 /nfs/dbraw/zinc/29/48/84/823294884.db2.gz CINOPPVFJUVSSO-UHFFFAOYSA-N 1 0 375.557 4.127 20 0 GIADRO O=C(c1cccn1-c1c(Cl)cccc1Cl)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000409736740 823295169 /nfs/dbraw/zinc/29/51/69/823295169.db2.gz NRTIIZXCFJGSQQ-HNNXBMFYSA-N 1 0 392.330 4.342 20 0 GIADRO O=C(c1cccc([N+](=O)[O-])c1)C(C(=S)Nc1ccc(F)cc1)[n+]1ccccc1 ZINC000007611335 817879319 /nfs/dbraw/zinc/87/93/19/817879319.db2.gz UDLAADQEGCZFBE-UHFFFAOYSA-O 1 0 396.423 4.072 20 0 GIADRO CCS(=O)(=O)c1ccc(N2CCC([NH2+][C@@H]3CCCCC3(C)C)CC2)cc1 ZINC000122028144 823295824 /nfs/dbraw/zinc/29/58/24/823295824.db2.gz KXUBBWCEOVGJMQ-HXUWFJFHSA-N 1 0 378.582 4.007 20 0 GIADRO C[C@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000572184114 823296324 /nfs/dbraw/zinc/29/63/24/823296324.db2.gz NHQGPDVRBOQRGG-WMZHIEFXSA-N 1 0 378.516 4.275 20 0 GIADRO CCc1nc(C)c([C@@H](C)N(C)CC(=O)Nc2cc(Cl)ccc2OC)s1 ZINC000122034748 823296745 /nfs/dbraw/zinc/29/67/45/823296745.db2.gz RKPPRSMYVZSAPF-GFCCVEGCSA-N 1 0 381.929 4.307 20 0 GIADRO C[C@@H](NC(=O)NCC1CCC(F)(F)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000409742779 823296806 /nfs/dbraw/zinc/29/68/06/823296806.db2.gz SPIKAUHXXJHHPG-VQIMIIECSA-N 1 0 379.495 4.022 20 0 GIADRO CN(CC[NH+](C)C)C(=O)c1ccc(CSc2nc3ccccc3s2)cc1 ZINC000176804899 823297402 /nfs/dbraw/zinc/29/74/02/823297402.db2.gz FZCZOVBSFNPGSW-UHFFFAOYSA-N 1 0 385.558 4.222 20 0 GIADRO CC1(C)CC(NC(=O)COc2ccc(OCc3ccccc3)cc2)CC(C)(C)[NH2+]1 ZINC000007771042 817912294 /nfs/dbraw/zinc/91/22/94/817912294.db2.gz PWZHBZNGGGVKMI-UHFFFAOYSA-N 1 0 396.531 4.070 20 0 GIADRO COc1ccc(C)cc1NC(=O)[C@H]([NH2+]CCCc1nccs1)c1ccccc1 ZINC000572212389 823301603 /nfs/dbraw/zinc/30/16/03/823301603.db2.gz AWXJROCANAPFNZ-OAQYLSRUSA-N 1 0 395.528 4.362 20 0 GIADRO COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)NC1CC[NH+](C)CC1 ZINC000057477084 823301648 /nfs/dbraw/zinc/30/16/48/823301648.db2.gz PJUJKLWLGHJUDW-UHFFFAOYSA-N 1 0 387.455 4.151 20 0 GIADRO O=C(CCC(=O)c1ccc(F)cc1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000007849949 817937273 /nfs/dbraw/zinc/93/72/73/817937273.db2.gz VIIIRYSAZUYCFI-UHFFFAOYSA-N 1 0 382.479 4.091 20 0 GIADRO CSc1ccccc1[C@@H](C)NC(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000409765617 823302364 /nfs/dbraw/zinc/30/23/64/823302364.db2.gz OUAQXRWNHLDGPF-CQSZACIVSA-N 1 0 375.513 4.170 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)N(C)Cc2ccc(Br)s2)o1 ZINC000057463790 823299943 /nfs/dbraw/zinc/29/99/43/823299943.db2.gz SIFKIJRCANQCAD-UHFFFAOYSA-N 1 0 385.327 4.218 20 0 GIADRO CSc1ccccc1[C@@H](C)NC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000409756952 823300108 /nfs/dbraw/zinc/30/01/08/823300108.db2.gz AWHCTGGMFGKTEE-MRXNPFEDSA-N 1 0 375.582 4.423 20 0 GIADRO CCOc1ccc(SCC(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000008012450 817982707 /nfs/dbraw/zinc/98/27/07/817982707.db2.gz NJSVRGBLDIBECA-UHFFFAOYSA-N 1 0 384.545 4.090 20 0 GIADRO CN(C(=O)NCCC[N@H+](C)C1CCCCC1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000460169778 823304497 /nfs/dbraw/zinc/30/44/97/823304497.db2.gz ICIQBTVOYZVWGN-WOVMCDHWSA-N 1 0 377.495 4.404 20 0 GIADRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1cn(-c2cccc(Cl)c2)nn1 ZINC000188784423 823305100 /nfs/dbraw/zinc/30/51/00/823305100.db2.gz HIPKAIIVZMYNAF-UHFFFAOYSA-N 1 0 395.894 4.077 20 0 GIADRO O=C(CC(Cc1ccccc1)Cc1ccccc1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000572235436 823305739 /nfs/dbraw/zinc/30/57/39/823305739.db2.gz YNYFPGNBMQCMJE-VWLOTQADSA-N 1 0 376.544 4.080 20 0 GIADRO CCn1c(N2CCC[N@@H+](C3CCCC3)CC2)nnc1C(C)(C)c1ccccc1 ZINC000460174603 823306105 /nfs/dbraw/zinc/30/61/05/823306105.db2.gz GOODOJRYYQDHEF-UHFFFAOYSA-N 1 0 381.568 4.079 20 0 GIADRO CC1(C)CN(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)[C@@H]1c1cccnc1 ZINC000572259383 823308913 /nfs/dbraw/zinc/30/89/13/823308913.db2.gz MPFFYBGEAQFJIH-MRXNPFEDSA-N 1 0 378.398 4.174 20 0 GIADRO Cc1ccc([C@@H](OC[C@H](O)C[NH2+]C(C)(C)c2nccs2)c2ccccc2)cc1 ZINC000122112125 823307754 /nfs/dbraw/zinc/30/77/54/823307754.db2.gz LHHDDEUTXYHWBV-RTWAWAEBSA-N 1 0 396.556 4.443 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(NC(=O)CC(C)C)ccc2Cl)[C@H](C)C1 ZINC000122110765 823307877 /nfs/dbraw/zinc/30/78/77/823307877.db2.gz MOTOTAQODNWOCM-BEFAXECRSA-N 1 0 393.959 4.127 20 0 GIADRO COc1cnccc1[C@H](C)[NH2+][C@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000188797814 823308034 /nfs/dbraw/zinc/30/80/34/823308034.db2.gz ZIPHBULPHJXLDM-OLZOCXBDSA-N 1 0 397.397 4.057 20 0 GIADRO O=C(NC1CC1)[C@@H]([NH2+]CCc1ccc(Cl)cc1Cl)c1ccc(F)cc1 ZINC000011156787 818057964 /nfs/dbraw/zinc/05/79/64/818057964.db2.gz ZHAMASMYYBOSJU-SFHVURJKSA-N 1 0 381.278 4.285 20 0 GIADRO Cc1ccc([C@@H](OC[C@@H](O)C[NH2+]C(C)(C)c2nccs2)c2ccccc2)cc1 ZINC000122112549 823308274 /nfs/dbraw/zinc/30/82/74/823308274.db2.gz LHHDDEUTXYHWBV-SFTDATJTSA-N 1 0 396.556 4.443 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000572261506 823309205 /nfs/dbraw/zinc/30/92/05/823309205.db2.gz KMNRFWORPOGNPQ-HTAPYJJXSA-N 1 0 398.576 4.273 20 0 GIADRO O=C(c1ccc(C[NH+]2CCSCC2)cc1)N(Cc1ccco1)Cc1ccco1 ZINC000409794814 823309223 /nfs/dbraw/zinc/30/92/23/823309223.db2.gz HEAMXMNJOCTRDJ-UHFFFAOYSA-N 1 0 396.512 4.264 20 0 GIADRO O=C(c1ccccc1)C1CC[NH+](C[C@@H](O)COc2cccc3ccccc32)CC1 ZINC000011343236 818074076 /nfs/dbraw/zinc/07/40/76/818074076.db2.gz IRZQSIAPAHHVKD-JOCHJYFZSA-N 1 0 389.495 4.174 20 0 GIADRO CC[N@H+](Cc1ccc(OC)c(OC)c1)Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000011365894 818075127 /nfs/dbraw/zinc/07/51/27/818075127.db2.gz IEQLQABQDVOIHY-UHFFFAOYSA-N 1 0 393.483 4.321 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)c2cnc(-c3ccsc3)s2)cc1F ZINC000122128795 823310686 /nfs/dbraw/zinc/31/06/86/823310686.db2.gz FRQIMORICQGSCA-UHFFFAOYSA-N 1 0 375.494 4.002 20 0 GIADRO COc1ccccc1OCC[NH2+][C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000057572292 823310913 /nfs/dbraw/zinc/31/09/13/823310913.db2.gz VOZFRGRRZSCTKH-QFIPXVFZSA-N 1 0 394.446 4.183 20 0 GIADRO CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000122129681 823310929 /nfs/dbraw/zinc/31/09/29/823310929.db2.gz HKHQWVHCMAZDGY-SFTDATJTSA-N 1 0 397.519 4.196 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cc(Cl)ccc2OC)cc1 ZINC000011708394 818110868 /nfs/dbraw/zinc/11/08/68/818110868.db2.gz QWPSGNJFRJCKBI-KBPBESRZSA-N 1 0 376.884 4.425 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)N[C@@H]1CCSc2c(F)cccc21 ZINC000011760725 818117136 /nfs/dbraw/zinc/11/71/36/818117136.db2.gz PEYCZCMALCJAIL-HXUWFJFHSA-N 1 0 399.535 4.326 20 0 GIADRO CCc1nc(C)c([C@@H](C)[N@H+](C)CCC(=O)N2CCc3sccc3C2)s1 ZINC000122148957 823313110 /nfs/dbraw/zinc/31/31/10/823313110.db2.gz AQOVDPCNTCSALK-CQSZACIVSA-N 1 0 377.579 4.043 20 0 GIADRO CC[N@H+](C[C@@H](O)COc1cc(Cl)ccc1Cl)[C@H]1CCOC(C)(C)C1 ZINC000572289959 823313941 /nfs/dbraw/zinc/31/39/41/823313941.db2.gz ZJMSOQIJOQLPHU-LSDHHAIUSA-N 1 0 376.324 4.013 20 0 GIADRO O=C(CC[NH+]1CCC(c2noc3cc(F)ccc32)CC1)Nc1ccccc1F ZINC000572289607 823314027 /nfs/dbraw/zinc/31/40/27/823314027.db2.gz HNWFHDCHRZWFDN-UHFFFAOYSA-N 1 0 385.414 4.314 20 0 GIADRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)C2(CF)CCC2)CC1 ZINC000572289118 823314056 /nfs/dbraw/zinc/31/40/56/823314056.db2.gz OLMRULPVCHYXRQ-UHFFFAOYSA-N 1 0 386.433 4.268 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(SC)ccc3Cl)cc2)CC1 ZINC000011947081 818131303 /nfs/dbraw/zinc/13/13/03/818131303.db2.gz DOYXLFAJEDGQJN-UHFFFAOYSA-N 1 0 389.952 4.456 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)CSc3cc(C)ccc3C)cc2)CC1 ZINC000011951399 818131773 /nfs/dbraw/zinc/13/17/73/818131773.db2.gz ISNPUIWSWQTOJY-UHFFFAOYSA-N 1 0 383.561 4.176 20 0 GIADRO C[NH+](C)CC1(C(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)CCCCC1 ZINC000460201441 823315225 /nfs/dbraw/zinc/31/52/25/823315225.db2.gz KFTPUFKUSHHSBW-UHFFFAOYSA-N 1 0 385.552 4.153 20 0 GIADRO OC[C@@]1(C[NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)C[C@@H]1c1ccccc1 ZINC000572290855 823314618 /nfs/dbraw/zinc/31/46/18/823314618.db2.gz NMHNURMNASUYMU-APWZRJJASA-N 1 0 383.385 4.023 20 0 GIADRO C[N@H+](Cc1ccccc1Oc1ccc(F)cc1Cl)CC1(O)CCOCC1 ZINC000188841956 823316114 /nfs/dbraw/zinc/31/61/14/823316114.db2.gz CYYYWZCLVDFDQF-UHFFFAOYSA-N 1 0 379.859 4.245 20 0 GIADRO COc1cc(C[NH2+]C[C@@H]2CC[C@H](O)C2)ccc1OCc1ccc(Cl)cc1 ZINC000188848641 823316626 /nfs/dbraw/zinc/31/66/26/823316626.db2.gz ZMTBOQXTWKOHJV-APWZRJJASA-N 1 0 375.896 4.178 20 0 GIADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(Cc2ccccc2)Cc2ccccc2)C1 ZINC000409822609 823316965 /nfs/dbraw/zinc/31/69/65/823316965.db2.gz VVOWLSDJWJPJHS-QHCPKHFHSA-N 1 0 378.560 4.182 20 0 GIADRO Cc1cccc(C2(C(=O)NC3CC[NH+]([C@H]4CCCC[C@@H]4O)CC3)CCCCC2)c1 ZINC000122176415 823317209 /nfs/dbraw/zinc/31/72/09/823317209.db2.gz KLKICRCXYRDPGU-GOTSBHOMSA-N 1 0 398.591 4.081 20 0 GIADRO CCc1nc2cc(C[NH2+][C@H](C)CC(=O)Nc3ccccc3)ccc2n1C1CC1 ZINC000572305510 823317176 /nfs/dbraw/zinc/31/71/76/823317176.db2.gz OQCPWQMJGGJBRM-MRXNPFEDSA-N 1 0 376.504 4.441 20 0 GIADRO COc1ccc(-c2nn(Cc3ccccc3)cc2C[NH+]2CCCC2)cc1OC ZINC000012675144 818175382 /nfs/dbraw/zinc/17/53/82/818175382.db2.gz NEXQYLLMGHUMBX-UHFFFAOYSA-N 1 0 377.488 4.211 20 0 GIADRO CC[N@H+](CCC1CCN(C(=O)NCc2cc(C)cc(OC)c2)CC1)CC1CC1 ZINC000572310669 823317732 /nfs/dbraw/zinc/31/77/32/823317732.db2.gz NMSPXWVCBISSBX-UHFFFAOYSA-N 1 0 387.568 4.047 20 0 GIADRO CN(c1ccccc1CNc1ccc(-c2ncco2)cc1)C1CC[NH+](C)CC1 ZINC000122190595 823319457 /nfs/dbraw/zinc/31/94/57/823319457.db2.gz FLGPXFQREMHKSQ-UHFFFAOYSA-N 1 0 376.504 4.484 20 0 GIADRO C[C@H]1CCN(C)c2ccccc2N1C(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000460215863 823320053 /nfs/dbraw/zinc/32/00/53/823320053.db2.gz LJYGSDYIIJHURS-SFHVURJKSA-N 1 0 395.572 4.111 20 0 GIADRO COc1ccc(NC(=S)N2CC[NH+](Cc3cccc4ccccc43)CC2)cc1 ZINC000013767941 818215641 /nfs/dbraw/zinc/21/56/41/818215641.db2.gz YIPUMYUPNXMZTI-UHFFFAOYSA-N 1 0 391.540 4.363 20 0 GIADRO COc1cc(C[N@H+](CCc2ccccc2)Cc2ccncc2)cc2c1OCO2 ZINC000013990179 818216751 /nfs/dbraw/zinc/21/67/51/818216751.db2.gz DJYFFUYIZFXOQR-UHFFFAOYSA-N 1 0 376.456 4.064 20 0 GIADRO COc1ccc(C[NH2+]C[C@@H](c2ccccc2)N2CCCC2)cc1Br ZINC000057681780 823321059 /nfs/dbraw/zinc/32/10/59/823321059.db2.gz MAISIGQLSXVIPB-IBGZPJMESA-N 1 0 389.337 4.384 20 0 GIADRO C[N@H+](CCOc1ccccc1F)CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000014079351 818221091 /nfs/dbraw/zinc/22/10/91/818221091.db2.gz LBULWGYISFLYNP-UHFFFAOYSA-N 1 0 385.266 4.472 20 0 GIADRO c1cncc(-c2nc3sc4c(c3c(NC3CC[NH+](C5CC5)CC3)n2)CCC4)c1 ZINC000014327390 818235813 /nfs/dbraw/zinc/23/58/13/818235813.db2.gz VYFGIRHHDKFGQC-UHFFFAOYSA-N 1 0 391.544 4.281 20 0 GIADRO CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000460221943 823322291 /nfs/dbraw/zinc/32/22/91/823322291.db2.gz MKRDHCJZNSRRAH-RHSMWYFYSA-N 1 0 395.473 4.150 20 0 GIADRO Cc1ccc2nc(C3CC3)cc(C(=O)N3CC[C@@H](C[NH+]4CCCCC4)C3)c2c1 ZINC000176912735 823322818 /nfs/dbraw/zinc/32/28/18/823322818.db2.gz FDNIQFUSWXNEEB-SFHVURJKSA-N 1 0 377.532 4.369 20 0 GIADRO CCc1ccc([C@@H](c2cccnc2)N(CC)C(=O)C[N@H+](C)[C@@H]2CCSC2)cc1 ZINC000122218699 823322971 /nfs/dbraw/zinc/32/29/71/823322971.db2.gz ZOZYQYPDXZDJCJ-GGAORHGYSA-N 1 0 397.588 4.019 20 0 GIADRO Cc1cc(NC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)ccc1-c1ccccc1 ZINC000460236276 823326364 /nfs/dbraw/zinc/32/63/64/823326364.db2.gz JBJBARMTIJVJLV-HXUWFJFHSA-N 1 0 393.531 4.238 20 0 GIADRO CC(C)n1c(-c2c[nH]c3ccccc23)nnc1N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000572355591 823326357 /nfs/dbraw/zinc/32/63/57/823326357.db2.gz JAZDRWNGOBTYRS-IAGOWNOFSA-N 1 0 378.524 4.070 20 0 GIADRO CCC[N@H+](CC)Cc1ccc(C(=O)Nc2ccc(OC)c(OC)c2OC)cc1 ZINC000057735643 823326511 /nfs/dbraw/zinc/32/65/11/823326511.db2.gz GFHSIVCXNTZBQM-UHFFFAOYSA-N 1 0 386.492 4.197 20 0 GIADRO COc1ccc(-c2cc(C(=O)Nc3cc(C[NH+](C)C)ccn3)sc2C)cc1 ZINC000176922923 823325156 /nfs/dbraw/zinc/32/51/56/823325156.db2.gz CBOWZVNFVLIBFA-UHFFFAOYSA-N 1 0 381.501 4.441 20 0 GIADRO Cc1cccc(NC(=O)[C@H](C)[NH2+][C@H]2CCOc3c(Br)cccc32)c1 ZINC000409849435 823325635 /nfs/dbraw/zinc/32/56/35/823325635.db2.gz IFMJXDSIUGBILL-GUYCJALGSA-N 1 0 389.293 4.198 20 0 GIADRO C[C@H](NC(=O)NC[C@H](c1cccs1)[NH+](C)C)c1ccc(-c2cccnc2)cc1 ZINC000176929463 823326702 /nfs/dbraw/zinc/32/67/02/823326702.db2.gz KIGIKEXHJMMWMJ-OXJNMPFZSA-N 1 0 394.544 4.473 20 0 GIADRO NC(=O)c1cccc(C[NH2+][C@@H]2CCCc3nc(-c4ccccc4F)sc32)c1 ZINC000122246975 823327271 /nfs/dbraw/zinc/32/72/71/823327271.db2.gz FZKRGTQRGVZSDK-QGZVFWFLSA-N 1 0 381.476 4.215 20 0 GIADRO O=C(C[NH+]1CCCCCC1)Nc1cccc(NC(=O)c2scnc2C2CC2)c1 ZINC000122248993 823327535 /nfs/dbraw/zinc/32/75/35/823327535.db2.gz QQRUPPBGTKRGJP-UHFFFAOYSA-N 1 0 398.532 4.087 20 0 GIADRO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000015300550 818309138 /nfs/dbraw/zinc/30/91/38/818309138.db2.gz AECCXQQANZOILL-XMMPIXPASA-N 1 0 392.543 4.313 20 0 GIADRO O=C(CC[NH+]1CCCCC1)Nc1ccc(NC(=O)c2scnc2C2CC2)cc1 ZINC000122250032 823327734 /nfs/dbraw/zinc/32/77/34/823327734.db2.gz GJVWHKQNWDUQMS-UHFFFAOYSA-N 1 0 398.532 4.087 20 0 GIADRO CC(C)Oc1ccc(NC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c(Cl)c1 ZINC000188915598 823328115 /nfs/dbraw/zinc/32/81/15/823328115.db2.gz NLNDUFZLZOWWOC-MRXNPFEDSA-N 1 0 379.932 4.467 20 0 GIADRO Cc1ccc(OCc2nc(C[NH2+][C@@H](CO)Cc3ccccc3C)cs2)cc1 ZINC000188922048 823328727 /nfs/dbraw/zinc/32/87/27/823328727.db2.gz QALCEMBBRJJLGO-LJQANCHMSA-N 1 0 382.529 4.032 20 0 GIADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1ccc2scnc2c1 ZINC000176948811 823332023 /nfs/dbraw/zinc/33/20/23/823332023.db2.gz YIMYYGBCKGKNHD-GOSISDBHSA-N 1 0 395.532 4.210 20 0 GIADRO CC(C)c1ccc(C[N@H+](C)CCC(=O)Nc2ccc(N3CCCC3=O)cc2)cc1 ZINC000015451059 818326822 /nfs/dbraw/zinc/32/68/22/818326822.db2.gz JDNGJPNAYFTLSL-UHFFFAOYSA-N 1 0 393.531 4.397 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1scnc1C(C)(C)C ZINC000176937018 823329012 /nfs/dbraw/zinc/32/90/12/823329012.db2.gz BZKQCSFQSGJIBN-GOSISDBHSA-N 1 0 385.577 4.425 20 0 GIADRO CCOc1ccccc1Oc1ccccc1C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000572393065 823332231 /nfs/dbraw/zinc/33/22/31/823332231.db2.gz XWFQHUROHRMQBO-HSZRJFAPSA-N 1 0 380.488 4.093 20 0 GIADRO C[C@H]1[C@@H](NC(=O)Nc2ccc(OCC(F)F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000572394375 823332238 /nfs/dbraw/zinc/33/22/38/823332238.db2.gz XNTMTXZNZHUCLL-KXBFYZLASA-N 1 0 389.446 4.115 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)Nc2cccc(COC(C)C)c2)c1 ZINC000122288973 823333154 /nfs/dbraw/zinc/33/31/54/823333154.db2.gz HLGFSPCBUWGQHJ-UHFFFAOYSA-N 1 0 397.519 4.031 20 0 GIADRO COc1ccc(CCCN(C)C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000057789762 823333522 /nfs/dbraw/zinc/33/35/22/823333522.db2.gz WZNLSCBRTYBRRI-QHCPKHFHSA-N 1 0 395.547 4.106 20 0 GIADRO CSc1ccccc1[C@@H](C)[NH2+][C@H](C)C(=O)NC(=O)Nc1ccc(C)cc1C ZINC000409877832 823333650 /nfs/dbraw/zinc/33/36/50/823333650.db2.gz NNXWKKLXMABZSR-HZPDHXFCSA-N 1 0 385.533 4.413 20 0 GIADRO C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccc([C@H]2C[C@H]2C)o1)N1CCc2sccc2C1 ZINC000409892168 823337345 /nfs/dbraw/zinc/33/73/45/823337345.db2.gz QOJXNWVMOPUCLW-FZMABENVSA-N 1 0 384.545 4.131 20 0 GIADRO COc1cc2c(cc1OC)[C@@H](c1cccs1)[N@H+](CC1CCC(=O)CC1)CC2 ZINC000572406411 823333757 /nfs/dbraw/zinc/33/37/57/823333757.db2.gz DKNCFKZNGGEKNT-QFIPXVFZSA-N 1 0 385.529 4.472 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)c2csc(-c3ccc(Cl)cc3)n2)cc1 ZINC000016102453 818393384 /nfs/dbraw/zinc/39/33/84/818393384.db2.gz YUJDQEREBCPJAU-UHFFFAOYSA-N 1 0 385.920 4.455 20 0 GIADRO Cc1cc(NC(=O)NCC(C)(C)[NH+]2CCCCC2)ccc1NC(=O)c1ccco1 ZINC000057794944 823333928 /nfs/dbraw/zinc/33/39/28/823333928.db2.gz ZXUMDFMRJOAZHO-UHFFFAOYSA-N 1 0 398.507 4.226 20 0 GIADRO COc1ccccc1[C@@H](CNC(=S)Nc1ccc(C(C)=O)cc1)[NH+]1CCCC1 ZINC000016241315 818408783 /nfs/dbraw/zinc/40/87/83/818408783.db2.gz QDLIYWHZFCNSGP-HXUWFJFHSA-N 1 0 397.544 4.021 20 0 GIADRO FC(F)(F)c1cccc(NC(=S)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000016243794 818410475 /nfs/dbraw/zinc/41/04/75/818410475.db2.gz RONVDSLPQNQDOE-KRWDZBQOSA-N 1 0 379.451 4.266 20 0 GIADRO CCCN(CC1CCCCC1)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000057819815 823337644 /nfs/dbraw/zinc/33/76/44/823337644.db2.gz PCAOACXURNOFTD-UHFFFAOYSA-N 1 0 375.557 4.129 20 0 GIADRO CC(C)[C@H](NC(=O)C[N@H+](C)[C@@H](C)c1ccccc1)c1ccc2c(c1)OCCCO2 ZINC000016345392 818426787 /nfs/dbraw/zinc/42/67/87/818426787.db2.gz JYXJXZJWLZRWQM-UUOWRZLLSA-N 1 0 396.531 4.354 20 0 GIADRO O=C(CC[N@H+](Cc1ccco1)Cc1cccs1)NC(=O)Nc1ccccc1 ZINC000016350205 818427726 /nfs/dbraw/zinc/42/77/26/818427726.db2.gz CMEJSNXIRUDRBI-UHFFFAOYSA-N 1 0 383.473 4.082 20 0 GIADRO Cc1ccc(NC(=O)COC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1C ZINC000016401935 818436200 /nfs/dbraw/zinc/43/62/00/818436200.db2.gz UNXINDFDDNIUJM-UHFFFAOYSA-N 1 0 380.488 4.085 20 0 GIADRO Cc1ccc(C)c(NC(=O)[C@@H](C)OC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000016402356 818436268 /nfs/dbraw/zinc/43/62/68/818436268.db2.gz IAFRDBCBGZRDEA-LJQANCHMSA-N 1 0 394.515 4.473 20 0 GIADRO O=C(Nc1cc(Cl)ccc1NC1CC1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000572422030 823336414 /nfs/dbraw/zinc/33/64/14/823336414.db2.gz QKFZOGKYQGQHLS-INIZCTEOSA-N 1 0 379.957 4.070 20 0 GIADRO [NH2+]=C(NCC[C@@H]1c2ccccc2NC1=O)Nc1cccc(Oc2ccccc2)c1 ZINC000176966012 823336804 /nfs/dbraw/zinc/33/68/04/823336804.db2.gz CPSUJZKROMEGCA-HXUWFJFHSA-N 1 0 386.455 4.332 20 0 GIADRO CCCN(CC1CCCCC1)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000057819849 823337726 /nfs/dbraw/zinc/33/77/26/823337726.db2.gz FNXDFJRCKGNLNV-UHFFFAOYSA-N 1 0 375.557 4.129 20 0 GIADRO COc1cccc(NC(=S)Nc2ccc(CC[NH+]3CCSCC3)cc2)c1 ZINC000057817461 823337027 /nfs/dbraw/zinc/33/70/27/823337027.db2.gz UMQVZRIBAWIOBK-UHFFFAOYSA-N 1 0 387.574 4.095 20 0 GIADRO CC(=O)CCc1ccc2oc(C(=O)NCc3ccc(C[NH+](C)C)cc3)c(C)c2c1 ZINC000016503943 818450581 /nfs/dbraw/zinc/45/05/81/818450581.db2.gz QWPJDSYFRWDSJJ-UHFFFAOYSA-N 1 0 392.499 4.254 20 0 GIADRO Fc1ccc(Cn2cc(C[NH2+]C[C@H](c3cccs3)N3CCCC3)cn2)cc1 ZINC000188982387 823338042 /nfs/dbraw/zinc/33/80/42/823338042.db2.gz YAJJKHNXXQMZKJ-HXUWFJFHSA-N 1 0 384.524 4.059 20 0 GIADRO CCN(CC)c1nc2sc(C(=O)N(C)[C@H]3CC[N@H+](CC)C[C@H]3C)cc2s1 ZINC000122327941 823338715 /nfs/dbraw/zinc/33/87/15/823338715.db2.gz GQTTURKZRUCWPX-KGLIPLIRSA-N 1 0 394.610 4.006 20 0 GIADRO CCOC(=O)C1CC[NH+](Cc2ccc(-c3ccc(Br)cc3)o2)CC1 ZINC000057831949 823339166 /nfs/dbraw/zinc/33/91/66/823339166.db2.gz BTKBCKOQBLBIEU-UHFFFAOYSA-N 1 0 392.293 4.484 20 0 GIADRO COC(=O)c1cccc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)c1 ZINC000572445043 823340309 /nfs/dbraw/zinc/34/03/09/823340309.db2.gz QHXGWPMVHKNFDX-UHFFFAOYSA-N 1 0 398.466 4.011 20 0 GIADRO C[C@@H]([NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1)c1ccc(-n2cccn2)cc1 ZINC000122343371 823341220 /nfs/dbraw/zinc/34/12/20/823341220.db2.gz YRSUEOKXHXZSGB-LJQANCHMSA-N 1 0 389.547 4.258 20 0 GIADRO CCc1ccc2c(C[N@H+](C)[C@@H](C)c3ccc(-n4cncn4)cc3)cc(=O)oc2c1 ZINC000017306002 818507131 /nfs/dbraw/zinc/50/71/31/818507131.db2.gz DEUDBQZMJPHQQL-INIZCTEOSA-N 1 0 388.471 4.129 20 0 GIADRO Fc1ccccc1-c1ccc(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CCO2)o1 ZINC000017312402 818508721 /nfs/dbraw/zinc/50/87/21/818508721.db2.gz NVQZUXKDMYUBCZ-HXUWFJFHSA-N 1 0 380.463 4.076 20 0 GIADRO COc1ccc(C(=O)Nc2cccc(CNCCC[N@@H+]3CCCC[C@H]3C)c2)cc1 ZINC000017317821 818509274 /nfs/dbraw/zinc/50/92/74/818509274.db2.gz VTRXUZDZGLMSTD-LJQANCHMSA-N 1 0 395.547 4.302 20 0 GIADRO Cc1c(C[N@H+](C)Cc2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)cnn1C ZINC000572452146 823342210 /nfs/dbraw/zinc/34/22/10/823342210.db2.gz DQROOMBFYUWYTO-HNNXBMFYSA-N 1 0 395.347 4.233 20 0 GIADRO Cc1ccc(C(=O)C2CCN(C(=O)NC[C@@]3([NH+](C)C)CCC[C@H](C)C3)CC2)cc1 ZINC000057858126 823342560 /nfs/dbraw/zinc/34/25/60/823342560.db2.gz WVILJQSAMZNQJR-YADARESESA-N 1 0 399.579 4.110 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1cc2c(s1)-c1ccccc1OC2)c1cccc(F)c1 ZINC000017794297 818527647 /nfs/dbraw/zinc/52/76/47/818527647.db2.gz YMVQIEMOIIFDFR-GOSISDBHSA-N 1 0 396.487 4.479 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Nc1cccc(-n2cccn2)c1)c1ccccc1 ZINC000057862395 823342784 /nfs/dbraw/zinc/34/27/84/823342784.db2.gz CJYFHJLTNKKJNH-OAQYLSRUSA-N 1 0 377.492 4.077 20 0 GIADRO COc1ccc([C@@H](CNC(=O)c2cc(C)nc3ccccc32)[NH+]2CCCC2)cc1 ZINC000017911622 818532735 /nfs/dbraw/zinc/53/27/35/818532735.db2.gz GORZGZWRPSTPBQ-HSZRJFAPSA-N 1 0 389.499 4.119 20 0 GIADRO CC(C)[C@H](C(=O)N1CCC(OCC[NH+]2CCCC2)CC1)c1cccc(Cl)c1 ZINC000177013158 823349269 /nfs/dbraw/zinc/34/92/69/823349269.db2.gz CGJVBPKDJMGLHU-NRFANRHFSA-N 1 0 392.971 4.183 20 0 GIADRO C[C@H](NC(=O)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000572466925 823345500 /nfs/dbraw/zinc/34/55/00/823345500.db2.gz WEJFAAGVCPAKIE-ILXVDBEPSA-N 1 0 383.458 4.029 20 0 GIADRO Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000122373171 823345526 /nfs/dbraw/zinc/34/55/26/823345526.db2.gz MUSGQZFFPTXGIG-HSZRJFAPSA-N 1 0 387.527 4.209 20 0 GIADRO CO[C@@H]1CCN(C(=O)c2cccc(CSc3ccc(C)cc3C)c2)[C@@H](C[NH3+])C1 ZINC000572475191 823346736 /nfs/dbraw/zinc/34/67/36/823346736.db2.gz ZQCPADAMVQQISA-NHCUHLMSSA-N 1 0 398.572 4.174 20 0 GIADRO Cc1ccnc([C@H]2CC[N@H+](Cc3nc(-c4cccc(Br)c4)no3)C2)c1 ZINC000572494195 823349540 /nfs/dbraw/zinc/34/95/40/823349540.db2.gz NOEFAOUTNNLWDM-HNNXBMFYSA-N 1 0 399.292 4.192 20 0 GIADRO COc1cc(OC)c([C@H](C)NCc2ccccc2OCC[NH+](C)C)cc1Cl ZINC000122385636 823347174 /nfs/dbraw/zinc/34/71/74/823347174.db2.gz MBNPUGYYQCXONU-HNNXBMFYSA-N 1 0 392.927 4.148 20 0 GIADRO C[NH2+]C[C@H]1CCN(Cc2cn(-c3ccccc3)nc2-c2cccc(Cl)c2)C1 ZINC000572483286 823347642 /nfs/dbraw/zinc/34/76/42/823347642.db2.gz XVUOAOMEVKKXBA-QGZVFWFLSA-N 1 0 380.923 4.234 20 0 GIADRO CC[N@H+](C)[C@@H](C(=O)NCc1cccc(COCc2ccco2)c1)c1ccccc1 ZINC000057911910 823347633 /nfs/dbraw/zinc/34/76/33/823347633.db2.gz DPFRDQPFOGNLHD-HSZRJFAPSA-N 1 0 392.499 4.306 20 0 GIADRO [NH3+][C@@H]1CCc2ncc(NC(=O)N3CCc4ccc(-c5ccccc5)cc4C3)cc2C1 ZINC000572495953 823349643 /nfs/dbraw/zinc/34/96/43/823349643.db2.gz TXASNCBRUNWKRC-JOCHJYFZSA-N 1 0 398.510 4.155 20 0 GIADRO Cc1cccc(C)c1NC(=O)[C@H](C)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000057933030 823348971 /nfs/dbraw/zinc/34/89/71/823348971.db2.gz PUTLOUHCUHMVJV-IBGZPJMESA-N 1 0 397.588 4.334 20 0 GIADRO CCOC(=O)Nc1ccc(NC(=O)NCC2CC[NH+](CCC(C)C)CC2)cc1 ZINC000177010936 823349000 /nfs/dbraw/zinc/34/90/00/823349000.db2.gz JPKYIIHFIJBIRR-UHFFFAOYSA-N 1 0 390.528 4.135 20 0 GIADRO C[C@H](CCOCc1ccccc1)NC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000572515595 823352208 /nfs/dbraw/zinc/35/22/08/823352208.db2.gz KBVQJMCJWJKARC-QGZVFWFLSA-N 1 0 380.488 4.220 20 0 GIADRO c1ncn(-c2ccc(C[NH2+]Cc3ccc(-c4ccc5c(c4)CCO5)cc3)cc2)n1 ZINC000057979117 823352774 /nfs/dbraw/zinc/35/27/74/823352774.db2.gz GSHGZAVNSVMTFQ-UHFFFAOYSA-N 1 0 382.467 4.159 20 0 GIADRO Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000020908160 818639502 /nfs/dbraw/zinc/63/95/02/818639502.db2.gz ADDOJCJNAWNWNR-GOSISDBHSA-N 1 0 383.879 4.336 20 0 GIADRO CN(C)[C@@H](C[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1)c1ccc(F)cc1 ZINC000572521293 823353431 /nfs/dbraw/zinc/35/34/31/823353431.db2.gz CLVDYUCEYIEBAI-GOTSBHOMSA-N 1 0 381.539 4.215 20 0 GIADRO C[C@@H]1CN(C)c2ccccc2N(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000460323610 823353776 /nfs/dbraw/zinc/35/37/76/823353776.db2.gz HVIKSTKJQSMAAA-CTNGQTDRSA-N 1 0 377.532 4.018 20 0 GIADRO C[C@@H]1CN(C)c2ccccc2N(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000460323613 823353800 /nfs/dbraw/zinc/35/38/00/823353800.db2.gz HVIKSTKJQSMAAA-TZIWHRDSSA-N 1 0 377.532 4.018 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1cccc(OC(F)F)c1)c1cccc(OC)c1 ZINC000021070948 818651671 /nfs/dbraw/zinc/65/16/71/818651671.db2.gz WHJOVQKPHZOAMG-LJQANCHMSA-N 1 0 392.446 4.110 20 0 GIADRO O=C(NCc1coc2ccccc12)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000460326938 823354576 /nfs/dbraw/zinc/35/45/76/823354576.db2.gz UQOVSDHSCWUUJT-CTNGQTDRSA-N 1 0 389.499 4.096 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(COc3cccc(F)c3)c2)[C@H](C)C1 ZINC000122441493 823354727 /nfs/dbraw/zinc/35/47/27/823354727.db2.gz AJRVWBNQPJNFOA-VGSWGCGISA-N 1 0 384.495 4.207 20 0 GIADRO O=C(NCc1coc2ccccc12)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000460326939 823354761 /nfs/dbraw/zinc/35/47/61/823354761.db2.gz UQOVSDHSCWUUJT-FPOVZHCZSA-N 1 0 389.499 4.096 20 0 GIADRO CCn1c(-c2cc(C)oc2C)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000460313722 823350070 /nfs/dbraw/zinc/35/00/70/823350070.db2.gz POZNVIWSBHTGMN-QGZVFWFLSA-N 1 0 393.535 4.276 20 0 GIADRO Cc1ccc(C)c(NC(=O)[C@H](C)Nc2ccc(CC[NH+]3CCSCC3)cc2)c1 ZINC000057958315 823350338 /nfs/dbraw/zinc/35/03/38/823350338.db2.gz CJDLWGDUTUFRPL-IBGZPJMESA-N 1 0 397.588 4.334 20 0 GIADRO COc1ccc(NC(=O)[C@H]([NH2+][C@@H](CCO)C(C)C)c2ccccc2)cc1Cl ZINC000460352961 823361607 /nfs/dbraw/zinc/36/16/07/823361607.db2.gz OQUGELDOOBKFDB-AZUAARDMSA-N 1 0 390.911 4.025 20 0 GIADRO CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CCc1nc(-c2ccccc2)no1 ZINC000177043056 823357835 /nfs/dbraw/zinc/35/78/35/823357835.db2.gz TVNYGRVAKDNOOW-FQEVSTJZSA-N 1 0 387.487 4.486 20 0 GIADRO CCc1ccc(C(=O)CCC(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000021639781 818718545 /nfs/dbraw/zinc/71/85/45/818718545.db2.gz NMXYAFAPXRSNCB-UHFFFAOYSA-N 1 0 378.516 4.124 20 0 GIADRO Fc1ccc(Cn2cc(C[NH2+]C[C@@H]3CCCN(Cc4cccs4)C3)cn2)cc1 ZINC000189102850 823358100 /nfs/dbraw/zinc/35/81/00/823358100.db2.gz WLBJBYMXTWELBK-IBGZPJMESA-N 1 0 398.551 4.134 20 0 GIADRO CC(C)(C)c1nn(-c2ccccc2)cc1C[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000122484856 823361228 /nfs/dbraw/zinc/36/12/28/823361228.db2.gz GZJXGMCOFDDMLR-UHFFFAOYSA-N 1 0 394.563 4.004 20 0 GIADRO Brc1ccc(C2([NH2+]Cc3ccc(-n4ccnc4)nc3)CCC2)cc1 ZINC000177044007 823358108 /nfs/dbraw/zinc/35/81/08/823358108.db2.gz IBTHAHHHYWSHOV-UHFFFAOYSA-N 1 0 383.293 4.199 20 0 GIADRO C[C@@H](CCCOc1ccccc1C(N)=O)[NH2+][C@H](c1ccccc1)c1ccncc1 ZINC000122473517 823359452 /nfs/dbraw/zinc/35/94/52/823359452.db2.gz FFHRAYXCFOHHHZ-FDDCHVKYSA-N 1 0 389.499 4.107 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000021844340 818746411 /nfs/dbraw/zinc/74/64/11/818746411.db2.gz ILSCJIAOOLMABF-UHFFFAOYSA-N 1 0 391.437 4.029 20 0 GIADRO CC[N@H+](CCNC(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1)CCC(F)(F)F ZINC000409977360 823360255 /nfs/dbraw/zinc/36/02/55/823360255.db2.gz FEBUFLWUMIQEBF-LBPRGKRZSA-N 1 0 384.364 4.199 20 0 GIADRO CC(C)c1nc(CC[NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)cs1 ZINC000189121206 823360401 /nfs/dbraw/zinc/36/04/01/823360401.db2.gz JLSNIPNRVNGJIL-UHFFFAOYSA-N 1 0 397.544 4.006 20 0 GIADRO CC1(C(=O)Nc2csc(-c3ccncc3)n2)CC[NH+](Cc2ccccc2)CC1 ZINC000189130322 823362059 /nfs/dbraw/zinc/36/20/59/823362059.db2.gz FYULTEIDTRCUFT-UHFFFAOYSA-N 1 0 392.528 4.446 20 0 GIADRO COc1ccc(-c2nc(C[NH+]3CCC([C@H]4CCCO4)CC3)cs2)cc1OC ZINC000189130047 823362117 /nfs/dbraw/zinc/36/21/17/823362117.db2.gz MSEBTAFVKPUNEN-GOSISDBHSA-N 1 0 388.533 4.218 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)C[C@@H](C)c3cccc(OC)c3)c(C)c2)CC1 ZINC000177064354 823362565 /nfs/dbraw/zinc/36/25/65/823362565.db2.gz ACMZHGYVRPHNBW-GOSISDBHSA-N 1 0 395.547 4.278 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)C[C@H](C)c3cccc(OC)c3)c(C)c2)CC1 ZINC000177064367 823362577 /nfs/dbraw/zinc/36/25/77/823362577.db2.gz ACMZHGYVRPHNBW-SFHVURJKSA-N 1 0 395.547 4.278 20 0 GIADRO O=C(CC[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1)N1CCc2ccccc2C1 ZINC000189159653 823367581 /nfs/dbraw/zinc/36/75/81/823367581.db2.gz RKKGFKJMMAQQKL-IBGZPJMESA-N 1 0 394.412 4.384 20 0 GIADRO Cc1cccc(-c2noc(CNC3[C@H](C)C[NH+](Cc4ccccc4)C[C@H]3C)n2)c1 ZINC000460358856 823363146 /nfs/dbraw/zinc/36/31/46/823363146.db2.gz MNBXLYBALAOIIR-RTBURBONSA-N 1 0 390.531 4.291 20 0 GIADRO COc1ccc(C[N@H+](C)CCC(=O)Nc2cc(Cl)ccc2Cl)cc1OC ZINC000022198517 818782163 /nfs/dbraw/zinc/78/21/63/818782163.db2.gz KVFCGMDFIXYMAY-UHFFFAOYSA-N 1 0 397.302 4.471 20 0 GIADRO CC(C)NC(=O)Nc1ccccc1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000058125004 823363463 /nfs/dbraw/zinc/36/34/63/823363463.db2.gz HDSLQWMEARHCSR-UHFFFAOYSA-N 1 0 394.519 4.455 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1occc1COc1ccccc1 ZINC000022276785 818788636 /nfs/dbraw/zinc/78/86/36/818788636.db2.gz CJYVEHGPAPGEPV-UHFFFAOYSA-N 1 0 390.483 4.384 20 0 GIADRO CC[C@@H](NC(=O)NCc1ccc(C[NH+](CC)CC)cc1)c1ccc(OC)cc1 ZINC000022424310 818804664 /nfs/dbraw/zinc/80/46/64/818804664.db2.gz HLMXXBZIXUJXAN-JOCHJYFZSA-N 1 0 383.536 4.488 20 0 GIADRO CC(C)[C@@H]1C[C@@H](CNC(=O)Nc2cccc(-c3ncc4n3CCCC4)c2)CCO1 ZINC000572596830 823367285 /nfs/dbraw/zinc/36/72/85/823367285.db2.gz LJKLYFLYHLZXES-UWJYYQICSA-N 1 0 396.535 4.459 20 0 GIADRO CC(C)C[C@@H](CNC(=O)NCc1ccc2cc[nH]c2n1)[NH2+][C@H](C)c1ccccc1 ZINC000460366460 823365030 /nfs/dbraw/zinc/36/50/30/823365030.db2.gz RNJRIQOACOTVNJ-UTKZUKDTSA-N 1 0 393.535 4.128 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)C(C)(C)COCc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000409993131 823365046 /nfs/dbraw/zinc/36/50/46/823365046.db2.gz NHRXFHFOKASNPI-OFNKIYASSA-N 1 0 394.559 4.399 20 0 GIADRO CC(C)[N@@H+](Cc1ccc(NC(=O)[C@@H]2O[C@H](C)C[C@@H]2C)cc1)C[C@H]1CCCCO1 ZINC000409998545 823367384 /nfs/dbraw/zinc/36/73/84/823367384.db2.gz MNMFCYLFUOERPS-XHIHJMKYSA-N 1 0 388.552 4.218 20 0 GIADRO CC1(C(=O)N2C[C@H]3CCC(=O)c4cccc2c43)CC[NH+](Cc2ccccc2)CC1 ZINC000189150858 823365839 /nfs/dbraw/zinc/36/58/39/823365839.db2.gz LCXJIMPFSLANMH-LJQANCHMSA-N 1 0 388.511 4.396 20 0 GIADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000189151347 823365976 /nfs/dbraw/zinc/36/59/76/823365976.db2.gz VUGPPZLFBKQOKT-CYBMUJFWSA-N 1 0 391.309 4.010 20 0 GIADRO CCC[N@H+](CC)Cc1ccc(C(=O)NCc2cccc(N3CC=CC3)c2)cc1 ZINC000460368720 823366088 /nfs/dbraw/zinc/36/60/88/823366088.db2.gz ITRWQCDIJWFOKL-UHFFFAOYSA-N 1 0 377.532 4.225 20 0 GIADRO COc1ccc([C@H](CNC(=O)[C@@H](C)Oc2ccc(C)cc2)[NH+]2CCCCC2)cc1 ZINC000022685509 818843562 /nfs/dbraw/zinc/84/35/62/818843562.db2.gz DGAUWPDXXBXYBI-XXBNENTESA-N 1 0 396.531 4.114 20 0 GIADRO CCOc1ccc(C(=O)C(C(=S)NC2CC2)[n+]2ccc(C(C)(C)C)cc2)cc1 ZINC000022688709 818844327 /nfs/dbraw/zinc/84/43/27/818844327.db2.gz QQXSZMHVPUUBCE-UHFFFAOYSA-O 1 0 397.564 4.361 20 0 GIADRO CC(=O)N[C@@]1(c2nc(-c3ccc(Oc4ccccc4)cc3)c(C)s2)CC[NH2+]C1 ZINC000572602469 823367974 /nfs/dbraw/zinc/36/79/74/823367974.db2.gz RKZMCROGLJBCRP-QFIPXVFZSA-N 1 0 393.512 4.236 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)Sc1ccccc1)c1cccc(OC)c1 ZINC000022700424 818847896 /nfs/dbraw/zinc/84/78/96/818847896.db2.gz WSNJSLOVQMZERC-DYESRHJHSA-N 1 0 386.561 4.375 20 0 GIADRO Cc1cccc([C@H](NC(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)C(C)(C)C)c1 ZINC000177088589 823368455 /nfs/dbraw/zinc/36/84/55/823368455.db2.gz UKNDLELGHNCTRT-FQEVSTJZSA-N 1 0 396.535 4.064 20 0 GIADRO CCOc1ccc2c(c1)CN(C(=O)NCc1ccccc1C[NH+](CC)CC)CC2 ZINC000058221415 823369827 /nfs/dbraw/zinc/36/98/27/823369827.db2.gz KIGIIDHWYQKLSE-UHFFFAOYSA-N 1 0 395.547 4.195 20 0 GIADRO Fc1ccc(Cn2cc(C[NH2+]Cc3ccnc(N4CCCCCC4)c3)cn2)cc1 ZINC000189176506 823370232 /nfs/dbraw/zinc/37/02/32/823370232.db2.gz KXPSBNATZYECHF-UHFFFAOYSA-N 1 0 393.510 4.136 20 0 GIADRO Brc1cc2c(cc1C[NH+]1CCC([C@H]3CCCO3)CC1)OCCCO2 ZINC000189174840 823370368 /nfs/dbraw/zinc/37/03/68/823370368.db2.gz PPGMQYGXPQOMBZ-QGZVFWFLSA-N 1 0 396.325 4.001 20 0 GIADRO CCc1ccc(-c2ccc(C(=O)N3CCC(OCCC[NH+](C)C)CC3)o2)cc1 ZINC000177096984 823370509 /nfs/dbraw/zinc/37/05/09/823370509.db2.gz PIYGEYRVIJYLSH-UHFFFAOYSA-N 1 0 384.520 4.082 20 0 GIADRO CCc1cc2oc(=O)cc(C[NH+]3CCC([C@H]4CCCO4)CC3)c2cc1Cl ZINC000189181845 823371438 /nfs/dbraw/zinc/37/14/38/823371438.db2.gz HMYUXUOVACBOIB-LJQANCHMSA-N 1 0 375.896 4.400 20 0 GIADRO CCS[C@H]1CC[C@@H](N(C)C(=O)NCc2ccccc2C[N@H+](C)C(C)C)C1 ZINC000122555153 823371709 /nfs/dbraw/zinc/37/17/09/823371709.db2.gz LMZVUUNNKKXFCB-UXHICEINSA-N 1 0 377.598 4.342 20 0 GIADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(Cl)s2)CC1 ZINC000023139290 818902917 /nfs/dbraw/zinc/90/29/17/818902917.db2.gz ORPNRIPLRKVLNO-UHFFFAOYSA-N 1 0 384.332 4.449 20 0 GIADRO C[NH+](C)CCCOC1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1 ZINC000177104628 823372350 /nfs/dbraw/zinc/37/23/50/823372350.db2.gz KBQSVEPXEYPFJV-UHFFFAOYSA-N 1 0 382.504 4.052 20 0 GIADRO CC(C)c1c(C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cnn1-c1ccccc1Cl ZINC000189187135 823372525 /nfs/dbraw/zinc/37/25/25/823372525.db2.gz BGWNMVYXQMOEMM-CABCVRRESA-N 1 0 386.927 4.004 20 0 GIADRO O=C([C@H](Oc1ccccc1)c1ccccc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000058263518 823372526 /nfs/dbraw/zinc/37/25/26/823372526.db2.gz PLLPFHQXXMFRTL-HSZRJFAPSA-N 1 0 378.516 4.284 20 0 GIADRO C[NH+](C)CCCOC1CCN(C(=O)c2ccc(-c3ccccc3Cl)o2)CC1 ZINC000177105156 823372583 /nfs/dbraw/zinc/37/25/83/823372583.db2.gz OOOHJMQSDMLOHU-UHFFFAOYSA-N 1 0 390.911 4.173 20 0 GIADRO COc1cccc(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)c1OC(F)F ZINC000122559981 823372632 /nfs/dbraw/zinc/37/26/32/823372632.db2.gz PGLRWKUDZZBOTG-UHFFFAOYSA-N 1 0 396.478 4.070 20 0 GIADRO CCCOc1ccc(NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1OCCC ZINC000410020334 823372863 /nfs/dbraw/zinc/37/28/63/823372863.db2.gz KXTKJVLMGWXNSF-IBGZPJMESA-N 1 0 389.540 4.356 20 0 GIADRO CC(C)(C)c1csc(NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)n1 ZINC000410028569 823374193 /nfs/dbraw/zinc/37/41/93/823374193.db2.gz SCMAWWGCGFZMBK-UHFFFAOYSA-N 1 0 390.528 4.366 20 0 GIADRO COc1ccc(C[C@H](C)[NH2+][C@H](C)c2nc(Cc3ccccc3)no2)c(C)c1OC ZINC000572646797 823374695 /nfs/dbraw/zinc/37/46/95/823374695.db2.gz LEGRRFSAKSBMRV-DOTOQJQBSA-N 1 0 395.503 4.268 20 0 GIADRO CC(=O)c1cccc(OC[C@H](O)C[NH2+][C@H](C)c2ccc(Cl)cc2Cl)c1 ZINC000023409655 818935379 /nfs/dbraw/zinc/93/53/79/818935379.db2.gz CRCKTXKSKUHYMQ-MLGOLLRUSA-N 1 0 382.287 4.287 20 0 GIADRO O[C@@H](COCc1cccs1)C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000023410222 818936072 /nfs/dbraw/zinc/93/60/72/818936072.db2.gz KCFKPPUWGIVVIO-MRXNPFEDSA-N 1 0 388.558 4.115 20 0 GIADRO CN(C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000460406198 823378545 /nfs/dbraw/zinc/37/85/45/823378545.db2.gz REIOAYOXXQXMAQ-YESZJQIVSA-N 1 0 375.479 4.013 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(-c3ccco3)nc3ccccc32)[C@H](C)C1 ZINC000122574786 823375459 /nfs/dbraw/zinc/37/54/59/823375459.db2.gz MQZXJNWUWMCXCT-IIBYNOLFSA-N 1 0 377.488 4.297 20 0 GIADRO Cc1cccc(C[N@H+](CCC(=O)Nc2cc(N)ccc2F)Cc2ccccn2)c1 ZINC000177121270 823376206 /nfs/dbraw/zinc/37/62/06/823376206.db2.gz VMHRSQNUGPHCSQ-UHFFFAOYSA-N 1 0 392.478 4.142 20 0 GIADRO CCc1ccc([C@H](CNC(=O)N2C[C@@H](C)O[C@@H](c3ccccc3)C2)[NH+](C)C)cc1 ZINC000410036560 823376470 /nfs/dbraw/zinc/37/64/70/823376470.db2.gz FDCNJWDNUOETGU-YFXJRYMSSA-N 1 0 395.547 4.023 20 0 GIADRO COCc1c2ccccc2oc1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000023737743 818977335 /nfs/dbraw/zinc/97/73/35/818977335.db2.gz AHZCIMNBZIVIGR-HXUWFJFHSA-N 1 0 378.472 4.146 20 0 GIADRO COc1ccc2nc(C)c(C(=O)NC[C@H](c3ccccc3)[NH+]3CCCC3)cc2c1 ZINC000023741977 818977900 /nfs/dbraw/zinc/97/79/00/818977900.db2.gz ZEPWICSWVRMFBV-HSZRJFAPSA-N 1 0 389.499 4.119 20 0 GIADRO C[C@@H]1CN(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C[C@@H](c2ccccc2)O1 ZINC000410040452 823377312 /nfs/dbraw/zinc/37/73/12/823377312.db2.gz YRRMJWVGADOSDP-RLLQIKCJSA-N 1 0 399.560 4.057 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)Nc2ccc3c(c2)C(=O)CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000177127987 823377993 /nfs/dbraw/zinc/37/79/93/823377993.db2.gz JJQNOCFHUMFASH-DYESRHJHSA-N 1 0 391.515 4.380 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)CCC(=O)c2ccc3ccccc3c2)C1 ZINC000058316473 823378030 /nfs/dbraw/zinc/37/80/30/823378030.db2.gz NUNLSFRAZDRKSJ-KDURUIRLSA-N 1 0 380.532 4.287 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(OCc3ccccc3)c(OC)c2)[C@H](C)C1 ZINC000122565664 823373771 /nfs/dbraw/zinc/37/37/71/823373771.db2.gz GBGVREPWIKMRLZ-NQIIRXRSSA-N 1 0 396.531 4.077 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)COc1ccccc1C(C)C)[NH+]1CCCC1 ZINC000023985279 819002316 /nfs/dbraw/zinc/00/23/16/819002316.db2.gz KPMZZDBJFCAANB-NRFANRHFSA-N 1 0 396.531 4.151 20 0 GIADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000572670956 823379400 /nfs/dbraw/zinc/37/94/00/823379400.db2.gz JBVGBIGRUQPSFV-YCEFEEMOSA-N 1 0 395.469 4.220 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)CCCc2ccc(Br)s2)cc1 ZINC000024067514 819017814 /nfs/dbraw/zinc/01/78/14/819017814.db2.gz OEJACKQOFJJZMS-UHFFFAOYSA-N 1 0 395.366 4.211 20 0 GIADRO Cc1nc(COc2cccc(C(=O)NCc3ccc(C[NH+](C)C)cc3)c2)cs1 ZINC000024067566 819017883 /nfs/dbraw/zinc/01/78/83/819017883.db2.gz JRRILRBUPTUMPJ-UHFFFAOYSA-N 1 0 395.528 4.022 20 0 GIADRO Cc1nc(COc2cccc(C(=O)NCc3ccccc3C[NH+](C)C)c2)cs1 ZINC000024084879 819021253 /nfs/dbraw/zinc/02/12/53/819021253.db2.gz SZZYBEJXAGCSBG-UHFFFAOYSA-N 1 0 395.528 4.022 20 0 GIADRO O=C(CCCc1c[nH]c2ccccc12)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000024115162 819026285 /nfs/dbraw/zinc/02/62/85/819026285.db2.gz UKYQRMKTTGUBJQ-UHFFFAOYSA-N 1 0 375.516 4.403 20 0 GIADRO CC(C)Cn1ncc(C(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1C(F)F ZINC000122609075 823380856 /nfs/dbraw/zinc/38/08/56/823380856.db2.gz QIRSLSRRPDXTQF-KRWDZBQOSA-N 1 0 396.526 4.061 20 0 GIADRO C[C@@H]([NH2+]C(c1ccccc1)c1ccccc1)C(=O)NC(=O)Nc1ccccc1F ZINC000024256417 819040115 /nfs/dbraw/zinc/04/01/15/819040115.db2.gz GDWKOTNDDPUXKC-MRXNPFEDSA-N 1 0 391.446 4.242 20 0 GIADRO COCc1cccc(C(=O)N[C@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)c1 ZINC000410055989 823381473 /nfs/dbraw/zinc/38/14/73/823381473.db2.gz XLFDPPACXJHXSQ-JOCHJYFZSA-N 1 0 380.532 4.036 20 0 GIADRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)CCNc2ccccc2)C1 ZINC000058352793 823381614 /nfs/dbraw/zinc/38/16/14/823381614.db2.gz JARRFOIMSHDZCU-PMACEKPBSA-N 1 0 379.548 4.283 20 0 GIADRO Cc1ccccc1-n1ncc(C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)c1C(C)C ZINC000189270162 823384131 /nfs/dbraw/zinc/38/41/31/823384131.db2.gz OXAGTIHLRJJLCG-LJQANCHMSA-N 1 0 382.552 4.012 20 0 GIADRO Cc1oc(-c2cccs2)nc1CC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000024357563 819050529 /nfs/dbraw/zinc/05/05/29/819050529.db2.gz IIEAEEMSRMKXJQ-IBGZPJMESA-N 1 0 395.528 4.207 20 0 GIADRO CCCOc1ccc(C[NH2+][C@@H](C)c2ccc(NS(=O)(=O)CC)cc2)c(C)c1 ZINC000189273299 823384580 /nfs/dbraw/zinc/38/45/80/823384580.db2.gz KSKFGUURNITCQV-KRWDZBQOSA-N 1 0 390.549 4.396 20 0 GIADRO C[C@@H](NC(=O)C(C)(C)COCc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000410076569 823384889 /nfs/dbraw/zinc/38/48/89/823384889.db2.gz PQMWMAJIYNXSJS-OFNKIYASSA-N 1 0 394.559 4.256 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)CS(=O)(=O)c1ccccc1)c1ccc(-c2cccnc2)cc1 ZINC000122633169 823384961 /nfs/dbraw/zinc/38/49/61/823384961.db2.gz BYSGAWAOIWHPFT-ZWKOTPCHSA-N 1 0 380.513 4.262 20 0 GIADRO O=C(Nc1cccc2c1CC[NH2+]C2)N1CCC(F)(c2cccc(Cl)c2)CC1 ZINC000572703729 823385948 /nfs/dbraw/zinc/38/59/48/823385948.db2.gz GXESYSCGUHELNQ-UHFFFAOYSA-N 1 0 387.886 4.478 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)CCSc2ccccc2F)CC1 ZINC000058399932 823386256 /nfs/dbraw/zinc/38/62/56/823386256.db2.gz ZXHYGSICWXOBHO-UHFFFAOYSA-N 1 0 386.536 4.397 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)cc1 ZINC000189282804 823386551 /nfs/dbraw/zinc/38/65/51/823386551.db2.gz KKSHFCICQSQKGQ-KRWDZBQOSA-N 1 0 389.478 4.415 20 0 GIADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)Cc1csc(-c2ccc(Cl)s2)n1 ZINC000572708275 823386663 /nfs/dbraw/zinc/38/66/63/823386663.db2.gz CELWEYBHRURIEM-ZDUSSCGKSA-N 1 0 383.970 4.058 20 0 GIADRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)CCc1ncc(-c2ccccc2F)o1)c1ccco1 ZINC000572709262 823386800 /nfs/dbraw/zinc/38/68/00/823386800.db2.gz XKEHNBBHHRCYDD-QAPCUYQASA-N 1 0 399.466 4.252 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)c2cc(O)ccc2C(F)(F)F)[NH+]2CCCC2)cc1 ZINC000189286689 823387120 /nfs/dbraw/zinc/38/71/20/823387120.db2.gz YGPJHUUMEYQPID-LJQANCHMSA-N 1 0 392.421 4.286 20 0 GIADRO Cc1nn(C)c(=O)c(-c2nc(C[N@@H+]3CCCC4(CCCCC4)C3)cs2)c1C ZINC000177163064 823387787 /nfs/dbraw/zinc/38/77/87/823387787.db2.gz UVENQSKJTNCFDS-UHFFFAOYSA-N 1 0 386.565 4.067 20 0 GIADRO [NH3+][C@H]1CCC[C@@H](CNC(=O)Cc2cccc(OCc3ccc(Cl)cc3)c2)C1 ZINC000572713967 823387825 /nfs/dbraw/zinc/38/78/25/823387825.db2.gz PDMYZXGEINCIIH-QUCCMNQESA-N 1 0 386.923 4.095 20 0 GIADRO Cc1nc(CSc2ccccc2C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cs1 ZINC000177164207 823388307 /nfs/dbraw/zinc/38/83/07/823388307.db2.gz SCIDMIASCOHASZ-UKRRQHHQSA-N 1 0 387.574 4.099 20 0 GIADRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)c1sc(-c2ccco2)nc1-c1ccccc1 ZINC000572720558 823388532 /nfs/dbraw/zinc/38/85/32/823388532.db2.gz VOZAILCWRATFKH-SFYZZRBRSA-N 1 0 393.512 4.316 20 0 GIADRO O[C@@H](C[NH2+]C1(c2nccs2)CCCC1)COc1ccc(Cl)cc1Cl ZINC000177168311 823389395 /nfs/dbraw/zinc/38/93/95/823389395.db2.gz LDWXDMAOXQGEDW-ZDUSSCGKSA-N 1 0 387.332 4.249 20 0 GIADRO CC(C)(C)OC(=O)NC[C@H]([NH2+]CC1=CCCOC1)c1ccc2ccccc2c1 ZINC000122676768 823392193 /nfs/dbraw/zinc/39/21/93/823392193.db2.gz VSJUEDPEVAHVIZ-NRFANRHFSA-N 1 0 382.504 4.342 20 0 GIADRO C[C@H](CSc1nnc(Cc2cccs2)n1CCc1ccccc1)[NH+](C)C ZINC000460447161 823392348 /nfs/dbraw/zinc/39/23/48/823392348.db2.gz ULGDLVYENYVOPJ-MRXNPFEDSA-N 1 0 386.590 4.215 20 0 GIADRO CC1CC[NH+](Cc2ccc(CNC(=O)N3CC[C@H](c4cccnc4)C3)cc2)CC1 ZINC000572755269 823393041 /nfs/dbraw/zinc/39/30/41/823393041.db2.gz CJVMCVSRCDZEDB-QHCPKHFHSA-N 1 0 392.547 4.013 20 0 GIADRO C[N@H+](CC(=O)N[C@H](c1nccs1)c1ccccc1)CC1(c2ccccc2)CC1 ZINC000189321360 823393623 /nfs/dbraw/zinc/39/36/23/823393623.db2.gz MYQIWYKNRZPMCF-NRFANRHFSA-N 1 0 391.540 4.012 20 0 GIADRO CN(C(=O)Nc1ccsc1Cl)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000189300202 823389974 /nfs/dbraw/zinc/38/99/74/823389974.db2.gz LSFWEZALVMRCBX-SJORKVTESA-N 1 0 399.004 4.202 20 0 GIADRO Cc1ccc2nc(-c3cccnc3)cc(C(=O)N(C)[C@H]3CC[N@H+](C)[C@H](C)C3)c2c1 ZINC000122686608 823394633 /nfs/dbraw/zinc/39/46/33/823394633.db2.gz OCVLOLFQOXWISL-MJGOQNOKSA-N 1 0 388.515 4.160 20 0 GIADRO Cc1nn(C)c(=O)c(-c2nc(C[N@@H+]3CCC[C@H](C(C)(C)C)CC3)cs2)c1C ZINC000177189134 823394852 /nfs/dbraw/zinc/39/48/52/823394852.db2.gz GWCIGGLFWOGHJH-INIZCTEOSA-N 1 0 388.581 4.169 20 0 GIADRO CC[C@@H](Cn1cncn1)[NH2+]CC(C)(C)c1ccc(Br)cc1Cl ZINC000572786298 823398517 /nfs/dbraw/zinc/39/85/17/823398517.db2.gz VBPGJHKXJGQLNA-ZDUSSCGKSA-N 1 0 385.737 4.040 20 0 GIADRO CC[C@@H](C)c1nnc(N2CCC[C@H]([NH+]3CCCC3)CC2)n1CCc1ccccc1 ZINC000460455803 823395454 /nfs/dbraw/zinc/39/54/54/823395454.db2.gz ZUQWYBCMSJTCSR-IRLDBZIGSA-N 1 0 395.595 4.489 20 0 GIADRO C[C@@H](C(=O)N(Cc1ccc(F)cc1)CC(F)(F)F)[N@H+](C)Cc1ccccc1 ZINC000460459852 823396865 /nfs/dbraw/zinc/39/68/65/823396865.db2.gz LKEXOQYQDVCKIC-HNNXBMFYSA-N 1 0 382.401 4.237 20 0 GIADRO CC(C)(C[NH2+]Cc1cccc(OCc2ccccn2)c1)c1ccc2c(c1)OCO2 ZINC000058476054 823397287 /nfs/dbraw/zinc/39/72/87/823397287.db2.gz DCYIGLZCTQADRU-UHFFFAOYSA-N 1 0 390.483 4.457 20 0 GIADRO COc1ccc(NC(=O)C[C@H](C)[NH2+]Cc2cc3cc(C)ccc3o2)c(OC)c1 ZINC000572782099 823397951 /nfs/dbraw/zinc/39/79/51/823397951.db2.gz JQORNGHUTNYGCK-HNNXBMFYSA-N 1 0 382.460 4.265 20 0 GIADRO COc1cc(OC)cc([C@H]([NH2+][C@H](C)CCc2ccccc2)c2nccn2C)c1 ZINC000177202794 823398232 /nfs/dbraw/zinc/39/82/32/823398232.db2.gz NVXLNIDSXZXFOZ-VGSWGCGISA-N 1 0 379.504 4.138 20 0 GIADRO C[C@@H]([NH2+]C1(CNC(=O)Nc2ccsc2Cl)CCOCC1)c1ccccc1 ZINC000189344859 823398155 /nfs/dbraw/zinc/39/81/55/823398155.db2.gz QBGLLDXIHIMCAY-CQSZACIVSA-N 1 0 393.940 4.423 20 0 GIADRO C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000410130993 823398182 /nfs/dbraw/zinc/39/81/82/823398182.db2.gz AXSYHMVAADUZCB-GOEBONIOSA-N 1 0 393.314 4.151 20 0 GIADRO C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000410130965 823398331 /nfs/dbraw/zinc/39/83/31/823398331.db2.gz AQDOSQJAFWGPJB-NHYWBVRUSA-N 1 0 387.332 4.241 20 0 GIADRO Cc1cc(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)c(C)n1-c1ccc(F)cc1 ZINC000058491420 823399210 /nfs/dbraw/zinc/39/92/10/823399210.db2.gz HXTPAAMYJAGJJQ-UHFFFAOYSA-N 1 0 395.478 4.426 20 0 GIADRO C[NH+](C)CCC1CCN(C(=O)c2ccc3noc(-c4ccc(F)cc4)c3c2)CC1 ZINC000122716700 823399709 /nfs/dbraw/zinc/39/97/09/823399709.db2.gz MOVFBTJIGPYERM-UHFFFAOYSA-N 1 0 395.478 4.438 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)NC[C@H]1CC[C@H](c2ccccc2)O1 ZINC000572796727 823400458 /nfs/dbraw/zinc/40/04/58/823400458.db2.gz WGQZZIQABQTAMO-DHIUTWEWSA-N 1 0 393.531 4.002 20 0 GIADRO CCC(CC)[C@H](CNC(=O)N1C[C@@H](C)O[C@@H](c2ccccc2)C1)[NH+]1CCCC1 ZINC000410142877 823400684 /nfs/dbraw/zinc/40/06/84/823400684.db2.gz RBLCJIANSAIDDL-BVYCBKJFSA-N 1 0 387.568 4.059 20 0 GIADRO CCOC(=O)N1CCC([C@H](C)[NH2+]Cc2ccc(OCc3ccccn3)cc2)CC1 ZINC000189366529 823401727 /nfs/dbraw/zinc/40/17/27/823401727.db2.gz NBGGJJUBHFKOOY-SFHVURJKSA-N 1 0 397.519 4.007 20 0 GIADRO COc1ccc([C@H]([NH2+]C[C@](C)(O)C(F)(F)F)C(C)C)c(Br)c1 ZINC000572805245 823402428 /nfs/dbraw/zinc/40/24/28/823402428.db2.gz KDBMFNPNAAFIEV-KGLIPLIRSA-N 1 0 384.236 4.058 20 0 GIADRO Cc1ccc2ncc(C[NH2+][C@H](C)[C@H](OC3CCOCC3)c3ccccc3)n2c1 ZINC000122733238 823402490 /nfs/dbraw/zinc/40/24/90/823402490.db2.gz GFGBNSPIVWYSRQ-JPYJTQIMSA-N 1 0 379.504 4.058 20 0 GIADRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)Nc3ccsc3Cl)cc2)C[C@@H](C)O1 ZINC000189370891 823402534 /nfs/dbraw/zinc/40/25/34/823402534.db2.gz QJMLRECKMCEINS-ZIAGYGMSSA-N 1 0 393.940 4.332 20 0 GIADRO O=C(CCOCc1ccccc1)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000572807384 823402764 /nfs/dbraw/zinc/40/27/64/823402764.db2.gz WXESWIIQKNKZDF-HSZRJFAPSA-N 1 0 380.532 4.012 20 0 GIADRO O=C1[C@H]([NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)CCCN1c1cccnc1 ZINC000189401651 823408463 /nfs/dbraw/zinc/40/84/63/823408463.db2.gz IYIZHRWRSKPFCP-MRXNPFEDSA-N 1 0 383.801 4.039 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1[nH]c2ccccc2c1Cl ZINC000058531992 823404879 /nfs/dbraw/zinc/40/48/79/823404879.db2.gz LWHVGSLSKTZHQS-UHFFFAOYSA-N 1 0 385.870 4.355 20 0 GIADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1c[nH]c(=S)n1-c1ccccc1 ZINC000177230543 823405540 /nfs/dbraw/zinc/40/55/40/823405540.db2.gz VXBYZYAADHHIEY-UHFFFAOYSA-N 1 0 384.549 4.062 20 0 GIADRO O=C(CCc1ccc(OC(F)(F)F)cc1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177231788 823405739 /nfs/dbraw/zinc/40/57/39/823405739.db2.gz DHIZDQCLTAVEHT-UHFFFAOYSA-N 1 0 398.469 4.431 20 0 GIADRO O=C([C@H]1C[NH2+]Cc2ccccc21)N1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000572840263 823408195 /nfs/dbraw/zinc/40/81/95/823408195.db2.gz ZPWWARBJBXPNOX-UNMCSNQZSA-N 1 0 386.499 4.017 20 0 GIADRO Cc1ccc(-n2cc(C[NH2+]CC[C@H](C)[S@](C)=O)c(-c3ccc(F)cc3)n2)cc1 ZINC000572862938 823410892 /nfs/dbraw/zinc/41/08/92/823410892.db2.gz FCZYPPUWJFICHS-HPGBDJQBSA-N 1 0 399.535 4.234 20 0 GIADRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCSc3cc(Cl)ccc3Cl)[C@@H]2C1 ZINC000572864035 823411203 /nfs/dbraw/zinc/41/12/03/823411203.db2.gz PZIVJWPMWLWOOD-YSVLISHTSA-N 1 0 387.376 4.322 20 0 GIADRO Cc1ccc2cc(C[NH2+][C@@H](c3ccc(Cl)cc3)[C@@H]3CN(C)CCO3)ccc2n1 ZINC000189415312 823411318 /nfs/dbraw/zinc/41/13/18/823411318.db2.gz IMIFNBRLIAVPMI-GOTSBHOMSA-N 1 0 395.934 4.358 20 0 GIADRO CCc1c(C(=O)NC2CC[NH+](C3CCCCC3)CC2)cnn1-c1ccc(F)cc1 ZINC000177257904 823411991 /nfs/dbraw/zinc/41/19/91/823411991.db2.gz MHZRTYRCWZSIRS-UHFFFAOYSA-N 1 0 398.526 4.101 20 0 GIADRO Clc1ccc2oc(C3CC[NH+](Cc4ccc(-n5ccnc5)nc4)CC3)nc2c1 ZINC000177258802 823412121 /nfs/dbraw/zinc/41/21/21/823412121.db2.gz ONOBCWBUCOMLAW-UHFFFAOYSA-N 1 0 393.878 4.442 20 0 GIADRO C[N@H+](CCCc1ccccc1)CC(=O)Nc1cc2c(cc1Cl)OCCCO2 ZINC000058580797 823412148 /nfs/dbraw/zinc/41/21/48/823412148.db2.gz BOHFGDYNYOCEHH-UHFFFAOYSA-N 1 0 388.895 4.004 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)C1(c2ccccc2)CCC1)c1cccc(OC)c1 ZINC000058585869 823412788 /nfs/dbraw/zinc/41/27/88/823412788.db2.gz FCPRTAXIXMQJCB-JOCHJYFZSA-N 1 0 380.532 4.316 20 0 GIADRO C[C@H]([NH2+]Cc1cc2c(cc1Cl)OCCO2)c1ccc(NC(=O)C2CC2)cc1 ZINC000572879091 823412878 /nfs/dbraw/zinc/41/28/78/823412878.db2.gz PIIVSJUOIBTJQG-ZDUSSCGKSA-N 1 0 386.879 4.311 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCc2cc(F)cc(F)c2)cc1 ZINC000410169305 823409334 /nfs/dbraw/zinc/40/93/34/823409334.db2.gz DRQOUXJBKJXEAB-INIZCTEOSA-N 1 0 387.474 4.339 20 0 GIADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)N[C@@H](c3cc4ccccc4o3)c3ccccc3)C[C@H]21 ZINC000572856367 823409834 /nfs/dbraw/zinc/40/98/34/823409834.db2.gz VFOOCBMLYIWMHP-GLHSZLCASA-N 1 0 389.499 4.291 20 0 GIADRO COCCC1(CNc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)CCCCC1 ZINC000189410779 823410464 /nfs/dbraw/zinc/41/04/64/823410464.db2.gz FYZUIDKUIWVUGW-UHFFFAOYSA-N 1 0 375.557 4.284 20 0 GIADRO Brc1ccc(C[N@H+](CCn2ccnc2)C[C@@H]2Cc3ccccc32)o1 ZINC000572886927 823414082 /nfs/dbraw/zinc/41/40/82/823414082.db2.gz FNUKVHQXKOHNFL-INIZCTEOSA-N 1 0 386.293 4.081 20 0 GIADRO CCc1c(C(=O)NC2CC[NH+](C3CCCCC3)CC2)cnn1Cc1ccccc1 ZINC000177264995 823414391 /nfs/dbraw/zinc/41/43/91/823414391.db2.gz QJNLIHWYSYQAJG-UHFFFAOYSA-N 1 0 394.563 4.021 20 0 GIADRO CSC1(CNC(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)CC[NH+](C)CC1 ZINC000572887786 823414448 /nfs/dbraw/zinc/41/44/48/823414448.db2.gz VIGDANKZMXQBTN-CVEARBPZSA-N 1 0 387.376 4.041 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCC(C)(C3CC3)CC2)[C@H]1c1cccs1 ZINC000460525104 823419223 /nfs/dbraw/zinc/41/92/23/823419223.db2.gz HOLXIFOBIPBJKA-APWZRJJASA-N 1 0 375.582 4.353 20 0 GIADRO COc1ccc2ccccc2c1CNC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000410197097 823416885 /nfs/dbraw/zinc/41/68/85/823416885.db2.gz WNHVWOJRFYOYPQ-GOSISDBHSA-N 1 0 383.536 4.302 20 0 GIADRO C[C@H]([NH2+]Cc1cc(F)ccc1N1CCOCC1)c1cccc(Br)c1 ZINC000410204658 823419321 /nfs/dbraw/zinc/41/93/21/823419321.db2.gz FJFZHVVRFNWUPF-AWEZNQCLSA-N 1 0 393.300 4.276 20 0 GIADRO Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H]2CCC[C@H](c3ccccc3)C2)CC1 ZINC000572910751 823418483 /nfs/dbraw/zinc/41/84/83/823418483.db2.gz UDMRZNYNVUNTTR-FCHUYYIVSA-N 1 0 377.532 4.449 20 0 GIADRO Brc1ccc(C[N@H+](CCn2ccnc2)C[C@H]2Cc3ccccc32)o1 ZINC000572886928 823414063 /nfs/dbraw/zinc/41/40/63/823414063.db2.gz FNUKVHQXKOHNFL-MRXNPFEDSA-N 1 0 386.293 4.081 20 0 GIADRO CC(C)[C@H](C[NH2+][C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2)NC(=O)OC(C)(C)C ZINC000122845759 823422291 /nfs/dbraw/zinc/42/22/91/823422291.db2.gz IIICPFSMPOSNJB-KSSFIOAISA-N 1 0 389.540 4.116 20 0 GIADRO Cc1cc([C@H](C)[NH2+][C@H](C)c2cccc(N3CCCS3(=O)=O)c2)c(C)s1 ZINC000122846163 823422426 /nfs/dbraw/zinc/42/24/26/823422426.db2.gz AFXIHQGFVHPPDE-CABCVRRESA-N 1 0 378.563 4.317 20 0 GIADRO Cc1ccc(C[C@H](C)NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)s1 ZINC000460528933 823420980 /nfs/dbraw/zinc/42/09/80/823420980.db2.gz NUMQITCJZKCZFX-WMQCIHAUSA-N 1 0 397.588 4.151 20 0 GIADRO CSC1(CNC(=O)N[C@@H](C)c2cc(Cl)ccc2Cl)CC[NH+](C)CC1 ZINC000572928343 823421352 /nfs/dbraw/zinc/42/13/52/823421352.db2.gz VJVIONIVSWZGGZ-LBPRGKRZSA-N 1 0 390.380 4.181 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)N(CCC(F)(F)F)CC2CC2)[NH+]2CCCC2)o1 ZINC000177285241 823421371 /nfs/dbraw/zinc/42/13/71/823421371.db2.gz HRZVXGVQISYWJD-MRXNPFEDSA-N 1 0 387.446 4.099 20 0 GIADRO CSCc1cccc(C[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)c1 ZINC000189483460 823427490 /nfs/dbraw/zinc/42/74/90/823427490.db2.gz YQNWFNHWAJBARX-UHFFFAOYSA-N 1 0 381.501 4.001 20 0 GIADRO COc1cc(C[NH2+]Cc2cncc(C)c2)cc(OC)c1OCc1ccccc1 ZINC000122880132 823428019 /nfs/dbraw/zinc/42/80/19/823428019.db2.gz MDKNOIOANOTUOU-UHFFFAOYSA-N 1 0 378.472 4.276 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N(CC2CC2)C2CCCCC2)cc1 ZINC000189492347 823429806 /nfs/dbraw/zinc/42/98/06/823429806.db2.gz UQQNUHXCTBWKGF-UHFFFAOYSA-N 1 0 385.552 4.038 20 0 GIADRO O=C(Nc1ccccc1)[C@@H]1CCC[N@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000122894843 823430374 /nfs/dbraw/zinc/43/03/74/823430374.db2.gz FUQKNCZYJXTFOR-MRXNPFEDSA-N 1 0 378.501 4.056 20 0 GIADRO O=C(Nc1nc(C2CC[NH2+]CC2)cs1)c1ccccc1Cc1ccccc1 ZINC000572991245 823431026 /nfs/dbraw/zinc/43/10/26/823431026.db2.gz CYZCFEUUAZRVHO-UHFFFAOYSA-N 1 0 377.513 4.453 20 0 GIADRO COCCc1ccccc1NC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000189496767 823431156 /nfs/dbraw/zinc/43/11/56/823431156.db2.gz ISPRBSAFYTTZRL-UHFFFAOYSA-N 1 0 389.927 4.125 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1cccc(Br)c1)C(=O)N1CCc2ccccc2C1 ZINC000410242129 823431528 /nfs/dbraw/zinc/43/15/28/823431528.db2.gz RCPAGEJFEPXYSB-LSDHHAIUSA-N 1 0 387.321 4.073 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)CCc1cccc(Br)c1 ZINC000177319369 823431709 /nfs/dbraw/zinc/43/17/09/823431709.db2.gz KRUDTCHQTCYRIX-UHFFFAOYSA-N 1 0 375.310 4.390 20 0 GIADRO Cc1nc(-c2ccc(C)cc2C)sc1C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000572999323 823431773 /nfs/dbraw/zinc/43/17/73/823431773.db2.gz RMYHJOFQCCTXJI-ROUUACIJSA-N 1 0 383.561 4.197 20 0 GIADRO CC(C)Oc1ccc(CNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000410243082 823431795 /nfs/dbraw/zinc/43/17/95/823431795.db2.gz WWEXSRGZMOVTCX-UHFFFAOYSA-N 1 0 395.547 4.459 20 0 GIADRO CCS[C@H]1CCCC[C@@H]1[NH2+]Cc1nnc(-c2ccc(Br)o2)o1 ZINC000189505731 823433147 /nfs/dbraw/zinc/43/31/47/823433147.db2.gz IBDNWABEEMACJA-JQWIXIFHSA-N 1 0 386.315 4.246 20 0 GIADRO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 ZINC000024667905 819862509 /nfs/dbraw/zinc/86/25/09/819862509.db2.gz IGEOIARJMWPYRO-JKSUJKDBSA-N 1 0 379.460 4.043 20 0 GIADRO CCc1c(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cnn1-c1cccc(Cl)c1 ZINC000024681070 819864183 /nfs/dbraw/zinc/86/41/83/819864183.db2.gz SGDYNVVMLMDUIV-UHFFFAOYSA-N 1 0 388.943 4.127 20 0 GIADRO CC(C)c1c(C(=O)Nc2ccc(C[NH+](C)C)cc2)cnn1-c1ccc(F)cc1 ZINC000024794801 819877732 /nfs/dbraw/zinc/87/77/32/819877732.db2.gz CCUXBOLJRHEBPL-UHFFFAOYSA-N 1 0 380.467 4.449 20 0 GIADRO COc1cc(C)c(C[N@H+](C)Cc2cc(Cl)c3c(c2)OCCCO3)cc1OC ZINC000024801195 819878106 /nfs/dbraw/zinc/87/81/06/819878106.db2.gz HWXGLTTVPWCDEL-UHFFFAOYSA-N 1 0 391.895 4.459 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)CSc1nc2ccccc2s1)c1ccco1 ZINC000024851656 819884072 /nfs/dbraw/zinc/88/40/72/819884072.db2.gz IHLOGWGLWJMXNH-OAHLLOKOSA-N 1 0 389.546 4.181 20 0 GIADRO C[N@H+](CCNC(=O)Nc1cccc(NC(=O)C2CCCCC2)c1)C1CCCC1 ZINC000177331495 823436153 /nfs/dbraw/zinc/43/61/53/823436153.db2.gz UHFYYCYDCOXOPQ-UHFFFAOYSA-N 1 0 386.540 4.201 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)c2cn(-c3ccc(Cl)cc3)nn2)c1 ZINC000024928119 819896319 /nfs/dbraw/zinc/89/63/19/819896319.db2.gz UJRDYRVHKZUATH-UHFFFAOYSA-N 1 0 383.883 4.015 20 0 GIADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N(CCC(F)(F)F)Cc2ccccc2)C1 ZINC000189541770 823440529 /nfs/dbraw/zinc/44/05/29/823440529.db2.gz CKLCSJSVCRUJSE-SFHVURJKSA-N 1 0 385.474 4.129 20 0 GIADRO COc1cc(C)c(C[N@H+](Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cc1OC ZINC000025183818 819939898 /nfs/dbraw/zinc/93/98/98/819939898.db2.gz WQTAVZIDIDBIMT-UHFFFAOYSA-N 1 0 394.515 4.069 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)CSCc3cccc(C)c3)c(C)c2)CC1 ZINC000025186634 819940575 /nfs/dbraw/zinc/94/05/75/819940575.db2.gz IESKYZUINNGCFI-UHFFFAOYSA-N 1 0 397.588 4.317 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCSc2ccc(Cl)cc21)C(=O)NC(=O)Nc1ccccc1 ZINC000025217197 819944948 /nfs/dbraw/zinc/94/49/48/819944948.db2.gz CPEGYXHTMMHRNW-BLLLJJGKSA-N 1 0 389.908 4.203 20 0 GIADRO CCC(CC)n1nccc1C(=O)N(CC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000122967244 823441455 /nfs/dbraw/zinc/44/14/55/823441455.db2.gz AJHOKXCGHJEZKQ-HXUWFJFHSA-N 1 0 382.552 4.228 20 0 GIADRO C[C@H]1CCc2[nH]c3ccc(C(=O)NC[C@H](c4ccsc4)[NH+](C)C)cc3c2C1 ZINC000025328802 819962858 /nfs/dbraw/zinc/96/28/58/819962858.db2.gz MIVWDCVZYXGGLI-LHSJRXKWSA-N 1 0 381.545 4.387 20 0 GIADRO C[C@@H]1CCc2[nH]c3ccc(C(=O)NC[C@H](c4ccsc4)[NH+](C)C)cc3c2C1 ZINC000025328801 819962937 /nfs/dbraw/zinc/96/29/37/819962937.db2.gz MIVWDCVZYXGGLI-SPLOXXLWSA-N 1 0 381.545 4.387 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)COc1ccc(Oc2ccccc2)cc1)c1ccsc1 ZINC000025331881 819964455 /nfs/dbraw/zinc/96/44/55/819964455.db2.gz COCXXNBJDQHKKR-NRFANRHFSA-N 1 0 396.512 4.338 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1ccccc1COc1ccccc1)c1ccsc1 ZINC000025332151 819964516 /nfs/dbraw/zinc/96/45/16/819964516.db2.gz CEZXZGISERYNAR-NRFANRHFSA-N 1 0 380.513 4.360 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1ccsc1 ZINC000025332234 819964747 /nfs/dbraw/zinc/96/47/47/819964747.db2.gz JJGBNHUUMCQGPE-FQEVSTJZSA-N 1 0 393.512 4.033 20 0 GIADRO Cc1nc(-c2ccccc2)c(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)s1 ZINC000025382645 819973631 /nfs/dbraw/zinc/97/36/31/819973631.db2.gz JGJLPWVEMJHGTM-LJQANCHMSA-N 1 0 379.529 4.021 20 0 GIADRO Cc1ccc(-c2cnc(CCC(=O)NC[C@@H](c3cccs3)[NH+](C)C)o2)cc1 ZINC000025385539 819973664 /nfs/dbraw/zinc/97/36/64/819973664.db2.gz DZJDPFNSHSOWAH-KRWDZBQOSA-N 1 0 383.517 4.063 20 0 GIADRO Cc1ccc(-c2cnc(CCC(=O)NC[C@H](c3cccs3)[NH+](C)C)o2)cc1 ZINC000025385543 819973777 /nfs/dbraw/zinc/97/37/77/819973777.db2.gz DZJDPFNSHSOWAH-QGZVFWFLSA-N 1 0 383.517 4.063 20 0 GIADRO CCCn1nccc1C1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000410269870 823442582 /nfs/dbraw/zinc/44/25/82/823442582.db2.gz FJEUNGBSOIWIHI-UHFFFAOYSA-N 1 0 394.563 4.299 20 0 GIADRO COc1cc(NC(=O)C[N@@H+]2CCC[C@H]2Cc2ccccc2)c(OC)cc1Cl ZINC000025441678 819980542 /nfs/dbraw/zinc/98/05/42/819980542.db2.gz WORBZXYUQNLZOP-INIZCTEOSA-N 1 0 388.895 4.003 20 0 GIADRO COCc1c2ccccc2oc1C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000025459998 819984998 /nfs/dbraw/zinc/98/49/98/819984998.db2.gz HGZCWWBFDULOHX-UHFFFAOYSA-N 1 0 392.499 4.146 20 0 GIADRO CO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)C12CCC2 ZINC000573070383 823443705 /nfs/dbraw/zinc/44/37/05/823443705.db2.gz PNDRMZZNHPQRNC-UIAACRFSSA-N 1 0 377.550 4.011 20 0 GIADRO CC(C)[C@H](CNC(=O)c1ccc2ncsc2c1)[N@@H+]1CCc2ccccc2C1 ZINC000025535903 819998871 /nfs/dbraw/zinc/99/88/71/819998871.db2.gz GINHQYOSCFIMIL-FQEVSTJZSA-N 1 0 379.529 4.109 20 0 GIADRO CC(C)[C@@H](CNC(=O)c1ccc2ncsc2c1)[N@@H+]1CCc2ccccc2C1 ZINC000025535897 819998936 /nfs/dbraw/zinc/99/89/36/819998936.db2.gz GINHQYOSCFIMIL-HXUWFJFHSA-N 1 0 379.529 4.109 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[NH2+]C(c2ccccc2)c2ccccc2)c1 ZINC000025549414 820001916 /nfs/dbraw/zinc/00/19/16/820001916.db2.gz LNJFQFMCOZJBRW-QGZVFWFLSA-N 1 0 387.483 4.351 20 0 GIADRO CC[NH2+]Cc1cccc(NC(=O)[C@H]2C[C@H]2c2ccccc2OC(F)(F)F)c1 ZINC000122992010 823444730 /nfs/dbraw/zinc/44/47/30/823444730.db2.gz DRAYRYXZQCCAMG-IRXDYDNUSA-N 1 0 378.394 4.437 20 0 GIADRO C[C@H](CNC(=O)Cc1ccc(Cl)c(Cl)c1)[N@@H+]1CCc2ccccc2C1 ZINC000025633649 820009405 /nfs/dbraw/zinc/00/94/05/820009405.db2.gz XLZRYGUCIFRCTH-CQSZACIVSA-N 1 0 377.315 4.099 20 0 GIADRO Cc1ccc(NC(=O)[C@H]([NH2+]CCc2ccc3c(c2)OCO3)c2ccccc2)cc1 ZINC000025697789 820015349 /nfs/dbraw/zinc/01/53/49/820015349.db2.gz QJHYABOMIKYPKM-HSZRJFAPSA-N 1 0 388.467 4.236 20 0 GIADRO CC1CC[NH+](C2CCC(NC(=O)NCc3cnccc3C(C)(C)C)CC2)CC1 ZINC000573085799 823445631 /nfs/dbraw/zinc/44/56/31/823445631.db2.gz OGKVBSDZJPEBMQ-UHFFFAOYSA-N 1 0 386.584 4.221 20 0 GIADRO CCS[C@H]1CC[C@H](N(C)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000122996758 823445727 /nfs/dbraw/zinc/44/57/27/823445727.db2.gz ANDLYMJIRHXPKT-PMACEKPBSA-N 1 0 375.582 4.098 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)COc1ccccc1-c1ccccc1)c1ccsc1 ZINC000025810791 820027671 /nfs/dbraw/zinc/02/76/71/820027671.db2.gz HTNTWBKCWSMONU-HXUWFJFHSA-N 1 0 380.513 4.213 20 0 GIADRO COc1cnccc1[C@H](C)[NH2+]Cc1ccc(OCc2c(C)noc2C)c(OC)c1 ZINC000189573707 823447682 /nfs/dbraw/zinc/44/76/82/823447682.db2.gz ODVOSIUGABJBBG-AWEZNQCLSA-N 1 0 397.475 4.133 20 0 GIADRO O=C(CC[N@H+]1CCCN(Cc2ccc(F)cc2)CC1)Nc1cccc(Cl)c1 ZINC000025934788 820041908 /nfs/dbraw/zinc/04/19/08/820041908.db2.gz ZEWFRACABWMYAC-UHFFFAOYSA-N 1 0 389.902 4.016 20 0 GIADRO C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000177378760 823449261 /nfs/dbraw/zinc/44/92/61/823449261.db2.gz BXWXPIQXAMYDCC-JKSUJKDBSA-N 1 0 377.960 4.348 20 0 GIADRO C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000177378776 823449286 /nfs/dbraw/zinc/44/92/86/823449286.db2.gz BXWXPIQXAMYDCC-CVEARBPZSA-N 1 0 377.960 4.348 20 0 GIADRO COCCc1ccccc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000189589377 823453424 /nfs/dbraw/zinc/45/34/24/823453424.db2.gz OOGSAWGXMICGAU-WIYYLYMNSA-N 1 0 381.520 4.050 20 0 GIADRO COc1cc(C(=O)Nc2cc(C[NH+]3CCSCC3)ccc2C)ccc1Cl ZINC000123049981 823453388 /nfs/dbraw/zinc/45/33/88/823453388.db2.gz CNXQVAZVWMCLJF-UHFFFAOYSA-N 1 0 390.936 4.458 20 0 GIADRO O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)C1(c2ccc(F)cc2)CC1 ZINC000058775396 823449728 /nfs/dbraw/zinc/44/97/28/823449728.db2.gz PLCQCRBMNSKPSO-HXUWFJFHSA-N 1 0 386.898 4.464 20 0 GIADRO Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000026302624 820079626 /nfs/dbraw/zinc/07/96/26/820079626.db2.gz WMAKJBIXPIWFDC-UHFFFAOYSA-N 1 0 383.879 4.220 20 0 GIADRO Cc1ccc(Cn2cc(C[NH2+]C[C@@H]3CCCO3)c(-c3ccc(C)cc3)n2)cc1 ZINC000026302934 820079685 /nfs/dbraw/zinc/07/96/85/820079685.db2.gz MCXIEJCWYNEJFU-QHCPKHFHSA-N 1 0 375.516 4.484 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)CCc1ccc(OC(F)F)cc1)c1ccc(NC(N)=O)cc1 ZINC000123033529 823451093 /nfs/dbraw/zinc/45/10/93/823451093.db2.gz IWLVXWVKLVZACX-UONOGXRCSA-N 1 0 377.435 4.451 20 0 GIADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc(SC)cc2)cc1 ZINC000026311148 820081448 /nfs/dbraw/zinc/08/14/48/820081448.db2.gz KRQGRBPBKMAHTN-INIZCTEOSA-N 1 0 392.590 4.290 20 0 GIADRO Cc1ccc(C[NH2+]Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)cc1[N+](=O)[O-] ZINC000189583005 823451505 /nfs/dbraw/zinc/45/15/05/823451505.db2.gz FIZODQSRHKGJIK-UHFFFAOYSA-N 1 0 397.475 4.444 20 0 GIADRO CC[NH+](CC)CCCNC(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1 ZINC000123049187 823453569 /nfs/dbraw/zinc/45/35/69/823453569.db2.gz XKXGIRPUUCIMHG-UHFFFAOYSA-N 1 0 392.503 4.174 20 0 GIADRO CCOc1cccc2[nH]cc(CC(=O)NC3CCC([NH+]4CCC(C)CC4)CC3)c21 ZINC000189584869 823451863 /nfs/dbraw/zinc/45/18/63/823451863.db2.gz OOHLRBRPVXNBPO-UHFFFAOYSA-N 1 0 397.563 4.268 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000026369243 820090743 /nfs/dbraw/zinc/09/07/43/820090743.db2.gz BOEFOYKDLZXFHU-HUUCEWRRSA-N 1 0 385.895 4.145 20 0 GIADRO C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@H+](C)Cc1ccc2occc2c1 ZINC000573139814 823453795 /nfs/dbraw/zinc/45/37/95/823453795.db2.gz LOCGWVQAIPOVQP-INIZCTEOSA-N 1 0 384.501 4.166 20 0 GIADRO COC1CCC(CC(=O)Nc2ccc(C[NH+]3CCSCC3)cc2C)CC1 ZINC000123046527 823452862 /nfs/dbraw/zinc/45/28/62/823452862.db2.gz IZJMYAGEYKGLON-UHFFFAOYSA-N 1 0 376.566 4.078 20 0 GIADRO COc1cccc([C@H](C)C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccc(C)s3)C2)c1 ZINC000573140022 823453890 /nfs/dbraw/zinc/45/38/90/823453890.db2.gz XCHCMFTYHDUXFR-ROUUACIJSA-N 1 0 386.561 4.149 20 0 GIADRO c1csc(-c2nc(CN3CCN(c4cc[nH+]c5ccccc54)CC3)co2)c1 ZINC000573140064 823453936 /nfs/dbraw/zinc/45/39/36/823453936.db2.gz ZERHZHILFHPVKU-UHFFFAOYSA-N 1 0 376.485 4.274 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Cc1c(Cl)cccc1Cl ZINC000026567303 820115304 /nfs/dbraw/zinc/11/53/04/820115304.db2.gz YQPSIZDSHCSRGO-UHFFFAOYSA-N 1 0 392.330 4.235 20 0 GIADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)N[C@H]1CCSc2c(F)cccc21 ZINC000177404906 823454600 /nfs/dbraw/zinc/45/46/00/823454600.db2.gz QSLORKPLROMSGO-IBGZPJMESA-N 1 0 391.556 4.459 20 0 GIADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)N[C@@H]1CCSc2c(F)cccc21 ZINC000177404920 823454663 /nfs/dbraw/zinc/45/46/63/823454663.db2.gz QSLORKPLROMSGO-LJQANCHMSA-N 1 0 391.556 4.459 20 0 GIADRO Fc1ccc(Cn2cc(C[NH+]3CCC(OCc4ccccc4)CC3)cn2)cc1 ZINC000189596826 823454740 /nfs/dbraw/zinc/45/47/40/823454740.db2.gz KGWFXZYWXFQZKK-UHFFFAOYSA-N 1 0 379.479 4.252 20 0 GIADRO c1ccc2c(c1)C[C@@H]1C[N@H+](Cc3ccccc3OCc3ccncc3)CCCN21 ZINC000573146103 823455297 /nfs/dbraw/zinc/45/52/97/823455297.db2.gz LTEWXLUPOOCEAW-HSZRJFAPSA-N 1 0 385.511 4.298 20 0 GIADRO C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000177411092 823455543 /nfs/dbraw/zinc/45/55/43/823455543.db2.gz REJVTGHWJOZXQE-HNNXBMFYSA-N 1 0 382.470 4.407 20 0 GIADRO CCSc1cc(C[NH2+]Cc2cc(OC)ccc2OCc2ccccn2)ccn1 ZINC000189599615 823455606 /nfs/dbraw/zinc/45/56/06/823455606.db2.gz YEWLPJXUMFNECA-UHFFFAOYSA-N 1 0 395.528 4.466 20 0 GIADRO O[C@@H](COc1cccc2ccccc21)C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000026715710 820136356 /nfs/dbraw/zinc/13/63/56/820136356.db2.gz JBHSPNZERZRRGX-UXHICEINSA-N 1 0 397.540 4.322 20 0 GIADRO Fc1cc(C[N@@H+]2CCC[C@H]2COc2ccc(Cl)cc2)c2c(c1)COCO2 ZINC000026724108 820136829 /nfs/dbraw/zinc/13/68/29/820136829.db2.gz FRNZHTLQYUZHSO-SFHVURJKSA-N 1 0 377.843 4.389 20 0 GIADRO CC1CC[NH+](Cc2ccc(NC(=O)c3cnn(-c4ccccc4F)c3)cc2)CC1 ZINC000058809023 823456097 /nfs/dbraw/zinc/45/60/97/823456097.db2.gz VDZWZELHIFGAAW-UHFFFAOYSA-N 1 0 392.478 4.496 20 0 GIADRO COC(=O)[C@@H](C)[C@H]([NH2+]Cc1cccc(OCC(F)(F)F)c1)c1ccccc1 ZINC000177415322 823456951 /nfs/dbraw/zinc/45/69/51/823456951.db2.gz HGVRWOCTYMEKOV-KSSFIOAISA-N 1 0 381.394 4.268 20 0 GIADRO CSCc1cccc(CNC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000189608459 823457237 /nfs/dbraw/zinc/45/72/37/823457237.db2.gz YTGNTKUWNRYHBT-UHFFFAOYSA-N 1 0 383.561 4.013 20 0 GIADRO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]C[C@@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000189609055 823457499 /nfs/dbraw/zinc/45/74/99/823457499.db2.gz CEIAYEJBKAHCKM-DNVCBOLYSA-N 1 0 399.432 4.201 20 0 GIADRO COC(=O)[C@H](C)[C@@H]([NH2+]Cc1cc(=O)oc2c(C)c(C)ccc12)c1ccccc1 ZINC000177417284 823457565 /nfs/dbraw/zinc/45/75/65/823457565.db2.gz RKSMVMBFOGNUOS-IIBYNOLFSA-N 1 0 379.456 4.050 20 0 GIADRO CC(C)[N@H+](CC(=O)N(C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1)C1CC1 ZINC000026943128 820166958 /nfs/dbraw/zinc/16/69/58/820166958.db2.gz PEJCGMNCIKLBAR-SFHVURJKSA-N 1 0 393.531 4.331 20 0 GIADRO Cc1cc([C@H](C)NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)c(C)s1 ZINC000410311775 823459700 /nfs/dbraw/zinc/45/97/00/823459700.db2.gz HXLNDDLNGBPYIF-KRWDZBQOSA-N 1 0 385.577 4.432 20 0 GIADRO O[C@@]1(C[NH2+]Cc2ccc(Br)c(F)c2)CCC[C@H](C(F)(F)F)C1 ZINC000189613843 823458596 /nfs/dbraw/zinc/45/85/96/823458596.db2.gz JXXYBMHRJGIPIN-FZMZJTMJSA-N 1 0 384.211 4.161 20 0 GIADRO O[C@]1(C[NH2+]Cc2ccc(Br)c(F)c2)CCC[C@@H](C(F)(F)F)C1 ZINC000189613897 823458641 /nfs/dbraw/zinc/45/86/41/823458641.db2.gz JXXYBMHRJGIPIN-BXUZGUMPSA-N 1 0 384.211 4.161 20 0 GIADRO CC1(C2CC2)CC[NH+](CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)CC1 ZINC000573169551 823458999 /nfs/dbraw/zinc/45/89/99/823458999.db2.gz JLFXMIHBMRUESW-FQEVSTJZSA-N 1 0 398.547 4.024 20 0 GIADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)Nc1cc(Cl)ccc1Cl ZINC000058825842 823460060 /nfs/dbraw/zinc/46/00/60/823460060.db2.gz WDIIXCLEILBGOO-UHFFFAOYSA-N 1 0 388.364 4.477 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@H]1CCN(c2ccccc2)C1)CC3 ZINC000123087970 823460202 /nfs/dbraw/zinc/46/02/02/823460202.db2.gz GZOHDRHFPAGIDL-MSOLQXFVSA-N 1 0 375.516 4.150 20 0 GIADRO CCOc1cc(C[NH2+]C[C@]2(O)CCC[C@@H](C(F)(F)F)C2)cc(Cl)c1OC ZINC000189620790 823460325 /nfs/dbraw/zinc/46/03/25/823460325.db2.gz XJMRCSXCXQDLPY-DYVFJYSZSA-N 1 0 395.849 4.321 20 0 GIADRO CC(=O)N(c1nc(CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cs1)c1ccc(C)cc1 ZINC000123089781 823460511 /nfs/dbraw/zinc/46/05/11/823460511.db2.gz QGUICFNAPPMHAG-UZLBHIALSA-N 1 0 386.565 4.051 20 0 GIADRO COc1ccc(NC(=O)c2ccccc2NC(=O)C[N@H+](CC(C)C)C2CC2)cc1 ZINC000027110425 820195118 /nfs/dbraw/zinc/19/51/18/820195118.db2.gz PHWFKMDSXZTGKF-UHFFFAOYSA-N 1 0 395.503 4.006 20 0 GIADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@H+](C)[C@@H](C)C(C)(C)C ZINC000027137374 820199687 /nfs/dbraw/zinc/19/96/87/820199687.db2.gz VBGMNQVTACIEON-JTQLQIEISA-N 1 0 375.296 4.085 20 0 GIADRO O=C(C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O)Nc1ccc(Oc2ccccc2)cc1 ZINC000573177089 823461251 /nfs/dbraw/zinc/46/12/51/823461251.db2.gz WPQQDXIPDLIBBW-VSKRKVRLSA-N 1 0 380.488 4.043 20 0 GIADRO O=C(Nc1ccccc1C(=O)NC1CC[NH+](C2CCCC2)CC1)c1cccs1 ZINC000177434582 823461314 /nfs/dbraw/zinc/46/13/14/823461314.db2.gz UDWYOWBMRUBDAI-UHFFFAOYSA-N 1 0 397.544 4.137 20 0 GIADRO CC[C@@H]([NH2+][C@@H]1CCc2ccc(F)cc21)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000573179254 823461762 /nfs/dbraw/zinc/46/17/62/823461762.db2.gz YLUPEIJEBFCORB-QZTJIDSGSA-N 1 0 396.915 4.115 20 0 GIADRO O[C@@]1(C[NH2+]Cc2c[nH]nc2-c2cccc(Cl)c2)CCC[C@@H](C(F)(F)F)C1 ZINC000189625439 823461857 /nfs/dbraw/zinc/46/18/57/823461857.db2.gz IPAOIEARIMQJLC-PBHICJAKSA-N 1 0 387.833 4.303 20 0 GIADRO O=C(CC[N@H+]1CCC[C@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1)Nc1cccnc1 ZINC000573179983 823461863 /nfs/dbraw/zinc/46/18/63/823461863.db2.gz JCHKXWIWBUZJPW-IBGZPJMESA-N 1 0 395.894 4.291 20 0 GIADRO C[C@@H]([NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1)c1ncc(C(C)(C)C)o1 ZINC000177438098 823461923 /nfs/dbraw/zinc/46/19/23/823461923.db2.gz ZGGBUWRTPQTXDW-OAHLLOKOSA-N 1 0 386.492 4.100 20 0 GIADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)Nc1ccc(C(F)(F)F)cc1 ZINC000058847935 823462077 /nfs/dbraw/zinc/46/20/77/823462077.db2.gz RHEIBCWLSQWZJY-UHFFFAOYSA-N 1 0 387.471 4.189 20 0 GIADRO C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000123101390 823462383 /nfs/dbraw/zinc/46/23/83/823462383.db2.gz JOVJVUIJYGURFC-SJORKVTESA-N 1 0 387.545 4.390 20 0 GIADRO C=C(C)CNC(=S)C(C(=O)c1ccc(OC)c(Cl)c1)[n+]1cccc(C)c1 ZINC000027310333 820223287 /nfs/dbraw/zinc/22/32/87/820223287.db2.gz RYSMCNWJPUQXMR-UHFFFAOYSA-O 1 0 389.928 4.049 20 0 GIADRO CCCCNC(=S)C(C(=O)c1ccc(Br)cc1)[n+]1ccccc1 ZINC000027325887 820224762 /nfs/dbraw/zinc/22/47/62/820224762.db2.gz ATPUINPBBAMPTE-UHFFFAOYSA-O 1 0 392.342 4.065 20 0 GIADRO COc1cccc([C@@H](CNC(=O)c2csc3ccccc23)[NH+]2CCCC2)c1 ZINC000027342675 820227633 /nfs/dbraw/zinc/22/76/33/820227633.db2.gz RPHAKBLEPCRCSD-HXUWFJFHSA-N 1 0 380.513 4.477 20 0 GIADRO Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000573185628 823462853 /nfs/dbraw/zinc/46/28/53/823462853.db2.gz DUBUSOANICXENW-ZYHUDNBSSA-N 1 0 394.302 4.312 20 0 GIADRO O[C@]1(C[NH2+]Cc2csc(-c3ccsc3)n2)CCC[C@H](C(F)(F)F)C1 ZINC000189630492 823462893 /nfs/dbraw/zinc/46/28/93/823462893.db2.gz MBKBICRITRMSIV-SWLSCSKDSA-N 1 0 376.469 4.445 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)NCCc2ccc(Cl)cc2)CC1 ZINC000410322954 823462958 /nfs/dbraw/zinc/46/29/58/823462958.db2.gz YUTJBLOERYQXQP-UHFFFAOYSA-N 1 0 385.939 4.155 20 0 GIADRO COc1cccc([C@H](CNC(=O)Nc2ccccc2SC(F)F)[NH+](C)C)c1 ZINC000058878361 823465181 /nfs/dbraw/zinc/46/51/81/823465181.db2.gz BAVKRGUSPOPCTG-INIZCTEOSA-N 1 0 395.475 4.434 20 0 GIADRO Cc1c[nH+]ccc1N1CCC(C(=O)N(C)c2ccc(-c3nccs3)cc2)CC1 ZINC000573188110 823463123 /nfs/dbraw/zinc/46/31/23/823463123.db2.gz HKIBKJTZGZOAAB-UHFFFAOYSA-N 1 0 392.528 4.393 20 0 GIADRO CCCOc1cc(C[NH2+]C[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)ccc1OC ZINC000189632101 823463181 /nfs/dbraw/zinc/46/31/81/823463181.db2.gz YXQZRTSWNYMMJD-CRAIPNDOSA-N 1 0 375.431 4.057 20 0 GIADRO CC[C@H](CNC(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000410324417 823463303 /nfs/dbraw/zinc/46/33/03/823463303.db2.gz RPQLIXBZLFEUTN-OAQYLSRUSA-N 1 0 379.548 4.187 20 0 GIADRO COc1cc(C[NH2+]CCc2ccccn2)cc(OC)c1OCc1ccccc1 ZINC000027395236 820239323 /nfs/dbraw/zinc/23/93/23/820239323.db2.gz ORZGYVPACRXZPT-UHFFFAOYSA-N 1 0 378.472 4.010 20 0 GIADRO O=C(CCC(=O)N1CCC(C[NH+]2CCCCCC2)CC1)c1ccc(Cl)cc1 ZINC000058879800 823465406 /nfs/dbraw/zinc/46/54/06/823465406.db2.gz MVHAOXHXBLKCSZ-UHFFFAOYSA-N 1 0 390.955 4.418 20 0 GIADRO O=C(c1cccn1Cc1ccccc1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000058880128 823465436 /nfs/dbraw/zinc/46/54/36/823465436.db2.gz SVYMZPSGKUFEIZ-UHFFFAOYSA-N 1 0 379.548 4.265 20 0 GIADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCc3cc(Cl)ccc3C2)CC1 ZINC000189640224 823465324 /nfs/dbraw/zinc/46/53/24/823465324.db2.gz AIGGGKVZOVFQCN-MRXNPFEDSA-N 1 0 398.938 4.028 20 0 GIADRO CC[C@H]1CCCCN1C(=O)[C@H](C)[NH2+]CC1(c2ccccc2Cl)CCOCC1 ZINC000177447590 823464194 /nfs/dbraw/zinc/46/41/94/823464194.db2.gz HJEZSRNETXQKTP-ROUUACIJSA-N 1 0 392.971 4.157 20 0 GIADRO CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000460645445 823465335 /nfs/dbraw/zinc/46/53/35/823465335.db2.gz FQIBNRIAJVPJLZ-XJKSGUPXSA-N 1 0 377.426 4.239 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)NCCc2ccc(Cl)s2)CC1 ZINC000410327859 823464391 /nfs/dbraw/zinc/46/43/91/823464391.db2.gz WYYFGQOMQWCZMP-UHFFFAOYSA-N 1 0 391.968 4.216 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)c1cc(C)nc2ccccc21)[NH+]1CCCC1 ZINC000027570963 820260390 /nfs/dbraw/zinc/26/03/90/820260390.db2.gz PUUANQMDBSFNSN-JOCHJYFZSA-N 1 0 389.499 4.119 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)CCc1ccc(C)cc1C)[NH+]1CCCC1 ZINC000027572370 820261195 /nfs/dbraw/zinc/26/11/95/820261195.db2.gz NAQJMDFCBWFTOS-JOCHJYFZSA-N 1 0 380.532 4.198 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)CCc1nc2ccccc2[nH]1)c1ccccc1Cl ZINC000027579068 820262877 /nfs/dbraw/zinc/26/28/77/820262877.db2.gz BAGJJDWMCSRDSQ-FQEVSTJZSA-N 1 0 398.938 4.348 20 0 GIADRO C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000410331464 823465519 /nfs/dbraw/zinc/46/55/19/823465519.db2.gz ZHMCPCPLBKCSCJ-BDJLRTHQSA-N 1 0 387.332 4.241 20 0 GIADRO COc1ccccc1-c1nc(C(=O)NC2CC[NH+](CC3CCCC3)CC2)cs1 ZINC000058880383 823465751 /nfs/dbraw/zinc/46/57/51/823465751.db2.gz ZTAXJTCKGNTUGG-UHFFFAOYSA-N 1 0 399.560 4.203 20 0 GIADRO CCOc1ccc(SCC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000058880697 823465775 /nfs/dbraw/zinc/46/57/75/823465775.db2.gz FJWUSRPFSNFZCI-UHFFFAOYSA-N 1 0 390.593 4.292 20 0 GIADRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+][C@@H](C)C(=O)N(C)C(C)C)s2)cc1 ZINC000177452191 823465958 /nfs/dbraw/zinc/46/59/58/823465958.db2.gz AZGJPFNRYJALKL-ZFWWWQNUSA-N 1 0 375.538 4.033 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)COc1ccc2oc3c(c2c1)CCCC3)c1cccs1 ZINC000027675455 820273559 /nfs/dbraw/zinc/27/35/59/820273559.db2.gz FNWPYBNJYMNOSX-GOSISDBHSA-N 1 0 398.528 4.171 20 0 GIADRO CCCOc1c(Cl)cc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1OC ZINC000027675508 820273730 /nfs/dbraw/zinc/27/37/30/820273730.db2.gz WDVQLJQWLWDUKR-HNNXBMFYSA-N 1 0 396.940 4.232 20 0 GIADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2ccccc2C(=O)c2cccs2)C1 ZINC000058883445 823466450 /nfs/dbraw/zinc/46/64/50/823466450.db2.gz HWCIQURMEJSDPI-KSZLIROESA-N 1 0 396.556 4.457 20 0 GIADRO COCc1ccc(CNC(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)cc1 ZINC000410338463 823466855 /nfs/dbraw/zinc/46/68/55/823466855.db2.gz SOTUMFSAWGGGCZ-IBGZPJMESA-N 1 0 395.547 4.207 20 0 GIADRO COc1cc(F)ccc1NC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000410337383 823466989 /nfs/dbraw/zinc/46/69/89/823466989.db2.gz AUBUHAUWXIHFDJ-UHFFFAOYSA-N 1 0 385.483 4.388 20 0 GIADRO O=C(NC1CC[NH+](C2CCCC2)CC1)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000177458752 823467451 /nfs/dbraw/zinc/46/74/51/823467451.db2.gz CPVFSMYAKXRHRF-QZTJIDSGSA-N 1 0 396.453 4.212 20 0 GIADRO Clc1ccc(-c2cc(C[NH+]3CCC(OC[C@@H]4CCCO4)CC3)on2)cc1 ZINC000177461270 823467757 /nfs/dbraw/zinc/46/77/57/823467757.db2.gz RDPHGTAOTJAPAY-SFHVURJKSA-N 1 0 376.884 4.155 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000573223520 823467839 /nfs/dbraw/zinc/46/78/39/823467839.db2.gz BEHFSAXMLMVOIK-LSDHHAIUSA-N 1 0 390.528 4.008 20 0 GIADRO CC1CC[NH+](CCCCNC(=O)CCOc2cccc(Cl)c2Cl)CC1 ZINC000058899724 823467942 /nfs/dbraw/zinc/46/79/42/823467942.db2.gz QRORLGDXQRGUKO-UHFFFAOYSA-N 1 0 387.351 4.391 20 0 GIADRO COc1ccc(OC)c(NC(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)c1 ZINC000410343421 823468041 /nfs/dbraw/zinc/46/80/41/823468041.db2.gz GEVTYPYJVXTXFD-KRWDZBQOSA-N 1 0 397.519 4.400 20 0 GIADRO Cc1nc2cc(F)ccc2cc1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000027932557 820298271 /nfs/dbraw/zinc/29/82/71/820298271.db2.gz CFMKZKFCAHRHEO-UHFFFAOYSA-N 1 0 391.490 4.119 20 0 GIADRO COc1cc(NC(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)cc(OC)c1 ZINC000410343141 823468128 /nfs/dbraw/zinc/46/81/28/823468128.db2.gz DCYYDHSCOCWVGU-KRWDZBQOSA-N 1 0 397.519 4.400 20 0 GIADRO CSc1ccc(Cl)c(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000027938934 820299429 /nfs/dbraw/zinc/29/94/29/820299429.db2.gz OFIKUEZLDRTAIQ-UHFFFAOYSA-N 1 0 388.964 4.499 20 0 GIADRO CSCc1ccc(C(=O)Nc2cc(Cl)ccc2N2CC[NH+](C)CC2)cc1 ZINC000028006379 820304034 /nfs/dbraw/zinc/30/40/34/820304034.db2.gz NHPKZGXTVYGUIX-UHFFFAOYSA-N 1 0 389.952 4.207 20 0 GIADRO C[C@H](CCc1ccco1)NC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000410345252 823468760 /nfs/dbraw/zinc/46/87/60/823468760.db2.gz OYAIOZXAHUXCCC-MOPGFXCFSA-N 1 0 383.536 4.475 20 0 GIADRO CC(=O)N(c1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1)C1CC1 ZINC000573237767 823469203 /nfs/dbraw/zinc/46/92/03/823469203.db2.gz WYCBVOWUKBSCCU-FQEVSTJZSA-N 1 0 391.515 4.053 20 0 GIADRO CN(c1ccccc1)c1ccc(C[NH2+]C[C@H](CO)c2ccccc2Cl)cn1 ZINC000573240922 823469547 /nfs/dbraw/zinc/46/95/47/823469547.db2.gz HMUNFNUJXMPWNM-GOSISDBHSA-N 1 0 381.907 4.369 20 0 GIADRO O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000058910356 823469593 /nfs/dbraw/zinc/46/95/93/823469593.db2.gz WEQVAQIGERGFQY-UHFFFAOYSA-N 1 0 394.359 4.425 20 0 GIADRO CC(C)c1[nH+]c(CNCc2cccc(NC(=O)C3CCC3)c2)c2ccccn21 ZINC000573256272 823471545 /nfs/dbraw/zinc/47/15/45/823471545.db2.gz HIXIVBYOUGBEKL-UHFFFAOYSA-N 1 0 376.504 4.486 20 0 GIADRO FC(F)(F)CN1CCC([NH2+][C@H]2CCCc3cc(Br)ccc32)CC1 ZINC000573244872 823469840 /nfs/dbraw/zinc/46/98/40/823469840.db2.gz WNVZHAWFPRGRFD-INIZCTEOSA-N 1 0 391.275 4.443 20 0 GIADRO COC(=O)c1ccc(NC(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)cc1 ZINC000410348318 823469938 /nfs/dbraw/zinc/46/99/38/823469938.db2.gz WOMJDLIIZHKQMM-KRWDZBQOSA-N 1 0 395.503 4.169 20 0 GIADRO O=C(CCCCc1ccc(Br)cc1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000058917678 823470070 /nfs/dbraw/zinc/47/00/70/823470070.db2.gz ZDUCTWSYMYKEEP-IBGZPJMESA-N 1 0 393.369 4.249 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1ccc(Cl)cc1 ZINC000028348502 820327908 /nfs/dbraw/zinc/32/79/08/820327908.db2.gz KZUDDJZAJYZCAH-ZIAGYGMSSA-N 1 0 385.895 4.366 20 0 GIADRO Cc1ccc(C)c(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)c1 ZINC000028349277 820327924 /nfs/dbraw/zinc/32/79/24/820327924.db2.gz GZWKUQRSLFSCSF-IAGOWNOFSA-N 1 0 379.504 4.330 20 0 GIADRO Cc1ccc(C)c(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)c1 ZINC000028349270 820328126 /nfs/dbraw/zinc/32/81/26/820328126.db2.gz GZWKUQRSLFSCSF-IRXDYDNUSA-N 1 0 379.504 4.330 20 0 GIADRO CCC(CC)CN(CC)C(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000410355252 823471597 /nfs/dbraw/zinc/47/15/97/823471597.db2.gz ZCKQCTFTRIBLGP-OALUTQOASA-N 1 0 389.584 4.264 20 0 GIADRO COc1cccc(NC(=O)[C@H]([NH2+]CCOc2ccc(F)cc2)c2ccccc2)c1 ZINC000028388795 820331532 /nfs/dbraw/zinc/33/15/32/820331532.db2.gz USNNMYGFJVZAID-JOCHJYFZSA-N 1 0 394.446 4.183 20 0 GIADRO CN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000028398723 820333103 /nfs/dbraw/zinc/33/31/03/820333103.db2.gz PMIYUAKWUMHSTR-UHFFFAOYSA-N 1 0 379.426 4.109 20 0 GIADRO C[NH+](C)CCOc1cccc(CNC(=O)CCSc2ccccc2Cl)c1 ZINC000058922678 823470639 /nfs/dbraw/zinc/47/06/39/823470639.db2.gz PYVHVTNBPFVADF-UHFFFAOYSA-N 1 0 392.952 4.079 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N(C)Cc2cccc(F)c2)C1 ZINC000410351624 823470640 /nfs/dbraw/zinc/47/06/40/823470640.db2.gz MCWLGEGABDJKIG-GOSISDBHSA-N 1 0 383.511 4.399 20 0 GIADRO CCc1ccc(NC(=O)NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000410353255 823470912 /nfs/dbraw/zinc/47/09/12/823470912.db2.gz MGUKLSJIZWZAPE-ROUUACIJSA-N 1 0 381.520 4.180 20 0 GIADRO C[C@H](CCCC(F)(F)F)NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000460681938 823477123 /nfs/dbraw/zinc/47/71/23/823477123.db2.gz TWBLZUZJGKDGAX-NEWSRXKRSA-N 1 0 397.485 4.271 20 0 GIADRO COc1ccc(NC(=O)[C@H]([NH2+]CCOc2cccc(C)c2)c2ccccc2)cc1 ZINC000028622696 820345663 /nfs/dbraw/zinc/34/56/63/820345663.db2.gz MRLCKJYZLNVFGD-HSZRJFAPSA-N 1 0 390.483 4.352 20 0 GIADRO COc1ccc2cc(C[N@H+](C)[C@H](C)C(=O)Nc3ccnn3C(C)C)ccc2c1 ZINC000028730736 820354089 /nfs/dbraw/zinc/35/40/89/820354089.db2.gz QUNWGPJBYNLMKE-MRXNPFEDSA-N 1 0 380.492 4.085 20 0 GIADRO Cc1cccc2oc(CC[NH2+][C@@H](C)CC(=O)N(C)Cc3ccccc3Cl)nc21 ZINC000410357731 823473161 /nfs/dbraw/zinc/47/31/61/823473161.db2.gz FUHVCWFTBISWIX-INIZCTEOSA-N 1 0 399.922 4.359 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N(C)Cc2ccc(F)cc2)C1 ZINC000410358835 823473394 /nfs/dbraw/zinc/47/33/94/823473394.db2.gz KIXPQZUVGLWYCM-SFHVURJKSA-N 1 0 383.511 4.399 20 0 GIADRO COc1cccc(C[N@H+](C)CCC(=O)NC(c2ccccc2)c2ccccc2)c1 ZINC000028852128 820363791 /nfs/dbraw/zinc/36/37/91/820363791.db2.gz CKUWILJSLKAWSX-UHFFFAOYSA-N 1 0 388.511 4.423 20 0 GIADRO COc1cccc(C[NH2+]C[C@H](O)CO[C@H](c2ccccc2)c2ccc(C)cc2)c1 ZINC000573271129 823473680 /nfs/dbraw/zinc/47/36/80/823473680.db2.gz YSYDZPOSIYJCFU-UKILVPOCSA-N 1 0 391.511 4.260 20 0 GIADRO Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]Cc1cccc(N2CCOCC2)c1 ZINC000573271673 823473735 /nfs/dbraw/zinc/47/37/35/823473735.db2.gz VGYOKSPQKGFTPP-OAQYLSRUSA-N 1 0 386.923 4.489 20 0 GIADRO Cc1cccc(N2CC[NH+](CCC(=O)Nc3cc(Cl)ccc3Cl)CC2)c1 ZINC000028891930 820368054 /nfs/dbraw/zinc/36/80/54/820368054.db2.gz VWNJXSRVUOQRIP-UHFFFAOYSA-N 1 0 392.330 4.453 20 0 GIADRO C[N@H+](CCC(=O)Nc1ccc2c(c1)OCO2)Cc1ccc(Cl)c(Cl)c1 ZINC000028895446 820368883 /nfs/dbraw/zinc/36/88/83/820368883.db2.gz ISIJJPJFIZHLIX-UHFFFAOYSA-N 1 0 381.259 4.183 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(F)cc1F)c1ccc(Br)cc1 ZINC000028893769 820368907 /nfs/dbraw/zinc/36/89/07/820368907.db2.gz QSRQVVAXTHQAGA-MNOVXSKESA-N 1 0 383.236 4.405 20 0 GIADRO CO[C@@H](CNC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000410369309 823477328 /nfs/dbraw/zinc/47/73/28/823477328.db2.gz BCVIBFCXQOFZNS-XXBNENTESA-N 1 0 395.547 4.248 20 0 GIADRO COc1cc(NC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)cc(OC)c1 ZINC000410360651 823474059 /nfs/dbraw/zinc/47/40/59/823474059.db2.gz AEONHGMCXAFBMP-KRWDZBQOSA-N 1 0 397.519 4.400 20 0 GIADRO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)NC1CC[NH+](CCOC(C)C)CC1 ZINC000177489041 823474345 /nfs/dbraw/zinc/47/43/45/823474345.db2.gz CVDRZYNDWOOHSV-OALUTQOASA-N 1 0 389.584 4.006 20 0 GIADRO COc1cc(C[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)ccc1OC(F)F ZINC000028925346 820374922 /nfs/dbraw/zinc/37/49/22/820374922.db2.gz DAWQLEQJIHGXEY-ZDUSSCGKSA-N 1 0 390.430 4.496 20 0 GIADRO C[C@@H](Cc1cccs1)NC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000410362238 823474398 /nfs/dbraw/zinc/47/43/98/823474398.db2.gz UOHGGBVKGGHXFG-ROUUACIJSA-N 1 0 385.577 4.410 20 0 GIADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]Cc1cncc(C)c1 ZINC000123177706 823474632 /nfs/dbraw/zinc/47/46/32/823474632.db2.gz VQAGCJNPTNGFND-UHFFFAOYSA-N 1 0 385.309 4.245 20 0 GIADRO COc1ccc(CCC(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)cc1F ZINC000058950440 823474689 /nfs/dbraw/zinc/47/46/89/823474689.db2.gz RFQVSPHBMRTIKU-GOSISDBHSA-N 1 0 398.522 4.458 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000058952641 823474991 /nfs/dbraw/zinc/47/49/91/823474991.db2.gz RUNIMECWFHWKIG-AOMKIAJQSA-N 1 0 398.934 4.334 20 0 GIADRO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[NH+]1CCC(OCC2CCCC2)CC1 ZINC000177493415 823475798 /nfs/dbraw/zinc/47/57/98/823475798.db2.gz ABDFSULWEOGCOL-INIZCTEOSA-N 1 0 394.506 4.155 20 0 GIADRO Cc1ccc2c(CC(=O)NCC(C)(C)[N@@H+]3CCc4ccccc4C3)coc2c1 ZINC000029161635 820402739 /nfs/dbraw/zinc/40/27/39/820402739.db2.gz XCLMLSWVGKMOCV-UHFFFAOYSA-N 1 0 376.500 4.237 20 0 GIADRO O=C(CC[NH+]1CCC(OCC2CCCC2)CC1)Nc1ccc(Cl)cc1F ZINC000177494240 823476148 /nfs/dbraw/zinc/47/61/48/823476148.db2.gz BHQFPBOXQMWZLK-UHFFFAOYSA-N 1 0 382.907 4.479 20 0 GIADRO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(OC(F)(F)F)cc1 ZINC000029177471 820406165 /nfs/dbraw/zinc/40/61/65/820406165.db2.gz QNODOXIYJZSKNF-GOSISDBHSA-N 1 0 378.394 4.152 20 0 GIADRO Cc1ccc(C(=O)CCC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)cc1C ZINC000029178589 820406946 /nfs/dbraw/zinc/40/69/46/820406946.db2.gz VEXNQZUVYSXHNF-JOCHJYFZSA-N 1 0 378.516 4.220 20 0 GIADRO CC(=O)Nc1ccc2c(C[NH2+][C@@H](c3ccc(F)cc3)C(C)C)cc(=O)oc2c1 ZINC000029189575 820409181 /nfs/dbraw/zinc/40/91/81/820409181.db2.gz NCCGJLFZBAUTNZ-JOCHJYFZSA-N 1 0 382.435 4.377 20 0 GIADRO COc1ccc(OC)c([C@H](C)NC(=O)C[NH2+][C@@H](c2ccc(F)cc2)C(C)C)c1 ZINC000029198728 820409850 /nfs/dbraw/zinc/40/98/50/820409850.db2.gz STCGTMOYWAMJQU-OYHNWAKOSA-N 1 0 388.483 4.007 20 0 GIADRO Clc1ccc2c(ccn2CC[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c1 ZINC000573290713 823476645 /nfs/dbraw/zinc/47/66/45/823476645.db2.gz KQNSZYCSLPCZCL-QGZVFWFLSA-N 1 0 379.895 4.217 20 0 GIADRO Cc1cc(OCCCC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)ccc1Cl ZINC000058966277 823476763 /nfs/dbraw/zinc/47/67/63/823476763.db2.gz LFNUGNSPDPAHHB-KRWDZBQOSA-N 1 0 380.960 4.436 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)c2[nH]c(C)c(C(C)=O)c2C(C)C)CC1 ZINC000123197673 823477620 /nfs/dbraw/zinc/47/76/20/823477620.db2.gz FFMJJTHSWGCIMP-UHFFFAOYSA-N 1 0 396.535 4.043 20 0 GIADRO CN(C(=O)c1cc2c(s1)CCCCC2)C1CC[NH+](Cc2ccncc2)CC1 ZINC000059010261 823483056 /nfs/dbraw/zinc/48/30/56/823483056.db2.gz OIYOUIOKXUZPIL-UHFFFAOYSA-N 1 0 383.561 4.149 20 0 GIADRO CC(C)Oc1ccc2ccccc2c1CNC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000573308393 823479084 /nfs/dbraw/zinc/47/90/84/823479084.db2.gz BPGCMKPPVGNZGV-UHFFFAOYSA-N 1 0 395.547 4.302 20 0 GIADRO CC1CC[NH+](Cc2ccc(CNC(=O)c3ccc4ncsc4c3)cc2)CC1 ZINC000029341803 820440079 /nfs/dbraw/zinc/44/00/79/820440079.db2.gz JSEXDQXDANUTKL-UHFFFAOYSA-N 1 0 379.529 4.458 20 0 GIADRO CCC(CC)C(=O)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000029365835 820444557 /nfs/dbraw/zinc/44/45/57/820444557.db2.gz UOQOPIPVKPUCJE-UHFFFAOYSA-N 1 0 379.548 4.061 20 0 GIADRO COc1ccccc1C[C@@H]1CCCN1C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000058988012 823479659 /nfs/dbraw/zinc/47/96/59/823479659.db2.gz MCMXVSPHJPMEIW-QHCPKHFHSA-N 1 0 392.543 4.141 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3cccc(-n4cccc4)c3)c(C)c2)CC1 ZINC000029375897 820446460 /nfs/dbraw/zinc/44/64/60/820446460.db2.gz BPXLBOTYRQOXME-UHFFFAOYSA-N 1 0 388.515 4.180 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H](C)Cc1ccc(OC)c(OC)c1)CC3 ZINC000123228335 823481741 /nfs/dbraw/zinc/48/17/41/823481741.db2.gz JVSLEAPNFBLIFL-DOTOQJQBSA-N 1 0 394.515 4.272 20 0 GIADRO Cc1ccc(C(=O)c2ccccc2C(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000029572294 820477894 /nfs/dbraw/zinc/47/78/94/820477894.db2.gz XZQLPCOGCCMUBG-HSZRJFAPSA-N 1 0 386.495 4.259 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)c2nc(-c3cccs3)oc2C)cc1 ZINC000059006108 823482000 /nfs/dbraw/zinc/48/20/00/823482000.db2.gz GEFUQVHPEABWAV-UHFFFAOYSA-N 1 0 383.517 4.483 20 0 GIADRO Cc1cccc(COc2ccc(CNC(=O)NC3CC[NH+](C(C)C)CC3)cc2)c1 ZINC000410388100 823483642 /nfs/dbraw/zinc/48/36/42/823483642.db2.gz ACPRAAWKCJBGLW-UHFFFAOYSA-N 1 0 395.547 4.246 20 0 GIADRO CC[NH+]1CCC(NC(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)CC1 ZINC000029609045 820483717 /nfs/dbraw/zinc/48/37/17/820483717.db2.gz YBPBXFIOMIBCAL-UHFFFAOYSA-N 1 0 393.462 4.362 20 0 GIADRO Cc1c2cccc(C)c2oc1C(=O)N(C)C1CC[NH+](Cc2ccncc2)CC1 ZINC000059011054 823482976 /nfs/dbraw/zinc/48/29/76/823482976.db2.gz DEJBPTUPLHGFTO-UHFFFAOYSA-N 1 0 377.488 4.181 20 0 GIADRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccccc2NC(=O)c2ccccc2)C1 ZINC000059018186 823483918 /nfs/dbraw/zinc/48/39/18/823483918.db2.gz UHXVFQRCGGQXET-OALUTQOASA-N 1 0 393.531 4.037 20 0 GIADRO CC[C@H](Oc1ccccc1Cl)C(=O)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000573356959 823483942 /nfs/dbraw/zinc/48/39/42/823483942.db2.gz FJTHDVTXTIOLFP-HNNXBMFYSA-N 1 0 379.913 4.060 20 0 GIADRO CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000029698825 820499924 /nfs/dbraw/zinc/49/99/24/820499924.db2.gz ZDAFICGSFZCOBL-LRDDRELGSA-N 1 0 397.302 4.042 20 0 GIADRO Cc1ccc(-c2cc(C[NH+]3CCC(NC(=O)c4ccc(F)cc4)CC3)on2)cc1 ZINC000029720710 820506774 /nfs/dbraw/zinc/50/67/74/820506774.db2.gz GROSLXOSMVHIOM-UHFFFAOYSA-N 1 0 393.462 4.184 20 0 GIADRO C[N@H+](CCCNC(=O)N[C@H](c1ccccc1)c1ccccn1)C1CCCCC1 ZINC000029731100 820508618 /nfs/dbraw/zinc/50/86/18/820508618.db2.gz TWLYOHUZQIOPIZ-JOCHJYFZSA-N 1 0 380.536 4.125 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(Cl)c2cccnc12 ZINC000029764143 820512525 /nfs/dbraw/zinc/51/25/25/820512525.db2.gz IKSUWDBKMGDZRM-UHFFFAOYSA-N 1 0 379.891 4.414 20 0 GIADRO COc1ccc(C(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)c(F)c1 ZINC000059060725 823485328 /nfs/dbraw/zinc/48/53/28/823485328.db2.gz VCWZGMAWIAFPGT-IAGOWNOFSA-N 1 0 384.495 4.242 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)CCc3ccccc3Cl)c(C)c2)CC1 ZINC000029770996 820514410 /nfs/dbraw/zinc/51/44/10/820514410.db2.gz XCRHNKXLHYGTSR-UHFFFAOYSA-N 1 0 385.939 4.362 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)[C@H]3C[C@H]3c3ccc(F)cc3)c(C)c2)CC1 ZINC000029770993 820514430 /nfs/dbraw/zinc/51/44/30/820514430.db2.gz HHVMNYARRUMMRF-SFTDATJTSA-N 1 0 381.495 4.018 20 0 GIADRO C[NH+](C)CCOc1ccc(CNC(=O)Nc2ccc(OC3CCCC3)cc2)cc1 ZINC000410395658 823485569 /nfs/dbraw/zinc/48/55/69/823485569.db2.gz QSAHIVWYYMYMNU-UHFFFAOYSA-N 1 0 397.519 4.270 20 0 GIADRO CC(C)[C@@H](CNC(=O)c1ccc(OCc2ccccn2)cc1)[NH+]1CCC(C)CC1 ZINC000460699311 823485763 /nfs/dbraw/zinc/48/57/63/823485763.db2.gz GYEVXTNMXSXCTI-HSZRJFAPSA-N 1 0 395.547 4.147 20 0 GIADRO C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029826144 820525870 /nfs/dbraw/zinc/52/58/70/820525870.db2.gz CBZBSKADIACHOP-PKOBYXMFSA-N 1 0 377.488 4.227 20 0 GIADRO Cc1nc(-c2ccccc2)c(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)s1 ZINC000029841959 820530115 /nfs/dbraw/zinc/53/01/15/820530115.db2.gz PWKXAGAIQKAMRH-UHFFFAOYSA-N 1 0 391.540 4.297 20 0 GIADRO C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccccc2CC[NH3+])cc1Cl ZINC000573381897 823486700 /nfs/dbraw/zinc/48/67/00/823486700.db2.gz FQXJOVAJGFYJJS-HNNXBMFYSA-N 1 0 399.922 4.108 20 0 GIADRO COc1cnccc1[C@H](C)NC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000189750826 823487565 /nfs/dbraw/zinc/48/75/65/823487565.db2.gz KENHWOQWUHPHCS-SFHVURJKSA-N 1 0 396.535 4.027 20 0 GIADRO Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123266919 823488059 /nfs/dbraw/zinc/48/80/59/823488059.db2.gz GBOMBWIPFDJEQM-PWSUYJOCSA-N 1 0 383.970 4.388 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cc(Br)ccc2OCC)C1 ZINC000177547638 823488178 /nfs/dbraw/zinc/48/81/78/823488178.db2.gz QHSKLEQRXIMZJG-CQSZACIVSA-N 1 0 398.345 4.043 20 0 GIADRO COc1cc(Cl)c(NC(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc1C ZINC000573402522 823488503 /nfs/dbraw/zinc/48/85/03/823488503.db2.gz HUGCJWTXLHAASP-KUHUBIRLSA-N 1 0 375.900 4.470 20 0 GIADRO C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000059274479 823489002 /nfs/dbraw/zinc/48/90/02/823489002.db2.gz XGZCSDGUSUFCOL-GOSISDBHSA-N 1 0 395.547 4.142 20 0 GIADRO O=S(=O)(N[C@H](C[NH+]1CCCC1)c1ccccc1)c1cc(Cl)ccc1Cl ZINC000030004429 820566489 /nfs/dbraw/zinc/56/64/89/820566489.db2.gz TUPVWEHNFXBPPU-QGZVFWFLSA-N 1 0 399.343 4.109 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(Cl)ccc3F)c(C)c2)CC1 ZINC000030019797 820570251 /nfs/dbraw/zinc/57/02/51/820570251.db2.gz BQWAWTBHJADJMA-UHFFFAOYSA-N 1 0 375.875 4.182 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cc(-c2ccccc2OC)on1 ZINC000030033551 820572547 /nfs/dbraw/zinc/57/25/47/820572547.db2.gz WZRDVZCBQAITNG-UHFFFAOYSA-N 1 0 393.487 4.122 20 0 GIADRO CC(C)Cc1ccc([C@H](C)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000123305169 823493754 /nfs/dbraw/zinc/49/37/54/823493754.db2.gz DVBBSASBBZHGOT-IBGZPJMESA-N 1 0 379.548 4.164 20 0 GIADRO CC(C)[C@@H](C)[N@H+](C)CC(=O)N(C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000030150448 820579711 /nfs/dbraw/zinc/57/97/11/820579711.db2.gz HPQVTBPSBASPJY-MOPGFXCFSA-N 1 0 395.547 4.435 20 0 GIADRO O=C(Nc1ccccc1)c1ccc(CN2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000059387117 823494584 /nfs/dbraw/zinc/49/45/84/823494584.db2.gz WFZOXNYODZSPEP-UHFFFAOYSA-N 1 0 377.532 4.389 20 0 GIADRO CCC[C@H](C)[N@H+](C)CC(=O)Nc1ccccc1C(=O)Nc1ccc(OC)cc1 ZINC000030270012 820593224 /nfs/dbraw/zinc/59/32/24/820593224.db2.gz PSVAJEKFNRHHSB-INIZCTEOSA-N 1 0 383.492 4.006 20 0 GIADRO Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000123310124 823494633 /nfs/dbraw/zinc/49/46/33/823494633.db2.gz KNFMSQGADCWEMJ-QGZVFWFLSA-N 1 0 388.581 4.409 20 0 GIADRO O[C@@](C[NH2+]Cc1cnc(-c2cccs2)s1)(c1ccccc1)C(F)(F)F ZINC000177575789 823494957 /nfs/dbraw/zinc/49/49/57/823494957.db2.gz BZAZYELJZACGOR-INIZCTEOSA-N 1 0 384.448 4.411 20 0 GIADRO O=C(/C=C/c1ccc2ccc(Cl)cc2n1)NCC[N@@H+]1CCc2ccccc2C1 ZINC000030317332 820599973 /nfs/dbraw/zinc/59/99/73/820599973.db2.gz IQMWGMPEDCOIFW-MDZDMXLPSA-N 1 0 391.902 4.076 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccnc2Cl)ccc1OC(C)C ZINC000030492526 820622466 /nfs/dbraw/zinc/62/24/66/820622466.db2.gz ZQZJDXLYSAZBBC-KGLIPLIRSA-N 1 0 391.899 4.209 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(N(C)C)cc2)ccc1OC(C)C ZINC000030492474 820622521 /nfs/dbraw/zinc/62/25/21/820622521.db2.gz AADATNMXKOYDBX-SJORKVTESA-N 1 0 399.535 4.226 20 0 GIADRO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000030508514 820626707 /nfs/dbraw/zinc/62/67/07/820626707.db2.gz MEACPITWKFNYCR-QGZVFWFLSA-N 1 0 386.923 4.313 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(C)c2)cc1Br ZINC000030509599 820627391 /nfs/dbraw/zinc/62/73/91/820627391.db2.gz VZLOXNPZIAMVDO-UONOGXRCSA-N 1 0 391.309 4.444 20 0 GIADRO C[C@H]([NH2+]CC1(N2CCSCC2)CCCC1)C(=O)Nc1cccc2ccccc21 ZINC000030513919 820628769 /nfs/dbraw/zinc/62/87/69/820628769.db2.gz PBZRKNKLMMYEGT-SFHVURJKSA-N 1 0 397.588 4.118 20 0 GIADRO Cc1ccc(OCc2nc(C[NH2+][C@@H](C)[C@@H](O)Cc3ccccc3)cs2)cc1 ZINC000123294836 823492068 /nfs/dbraw/zinc/49/20/68/823492068.db2.gz UETNVSYXSORGJQ-UWJYYQICSA-N 1 0 382.529 4.112 20 0 GIADRO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000177570489 823493442 /nfs/dbraw/zinc/49/34/42/823493442.db2.gz CJCFJCBUOIVGFS-CHWSQXEVSA-N 1 0 379.863 4.045 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1cccc(NC(=O)C2CCCCC2)c1)c1ccsc1 ZINC000030636773 820655531 /nfs/dbraw/zinc/65/55/31/820655531.db2.gz LQJQMTDBTNAPNK-HXUWFJFHSA-N 1 0 399.560 4.300 20 0 GIADRO Cn1cc(C[NH2+]CC2(c3ccccc3)CC2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000030637622 820655659 /nfs/dbraw/zinc/65/56/59/820655659.db2.gz JKYJSVVUGQDQTE-UHFFFAOYSA-N 1 0 389.499 4.070 20 0 GIADRO Cc1n[nH]cc1CCC[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000030667257 820662229 /nfs/dbraw/zinc/66/22/29/820662229.db2.gz CEGICFQEJNGGSU-UHFFFAOYSA-N 1 0 385.515 4.352 20 0 GIADRO c1ccc(COc2ccc(C[NH+]3CCC(OC[C@@H]4CCCCO4)CC3)cc2)nc1 ZINC000177609885 823500241 /nfs/dbraw/zinc/50/02/41/823500241.db2.gz BCONHPVSDSXLLT-DEOSSOPVSA-N 1 0 396.531 4.211 20 0 GIADRO CCC(=O)Nc1ccc(NCc2ccccc2N(C)C2CC[NH+](C)CC2)cc1 ZINC000177583326 823496379 /nfs/dbraw/zinc/49/63/79/823496379.db2.gz DOLUHHBIXMYCMQ-UHFFFAOYSA-N 1 0 380.536 4.178 20 0 GIADRO Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccc(C[NH+](C)C)cc2)cc1 ZINC000030771136 820680388 /nfs/dbraw/zinc/68/03/88/820680388.db2.gz BPGJAXCZPJYIJZ-UHFFFAOYSA-N 1 0 393.487 4.113 20 0 GIADRO C[NH+](C)Cc1ccc(NC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cc2)cc1 ZINC000030774281 820680994 /nfs/dbraw/zinc/68/09/94/820680994.db2.gz DUMSHRIYXBWNAP-UHFFFAOYSA-N 1 0 383.492 4.276 20 0 GIADRO COc1ccc(NC(=O)CC[NH+]2CCC(c3nc4cccc(C)c4o3)CC2)cc1 ZINC000189803816 823497671 /nfs/dbraw/zinc/49/76/71/823497671.db2.gz OSTSPQZCWFFUEX-UHFFFAOYSA-N 1 0 393.487 4.353 20 0 GIADRO Cc1onc(C2CC2)c1C(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000410474971 823498387 /nfs/dbraw/zinc/49/83/87/823498387.db2.gz LYPIHDRWUGHBBP-UHFFFAOYSA-N 1 0 395.425 4.083 20 0 GIADRO CC(C)(CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000059850709 823500471 /nfs/dbraw/zinc/50/04/71/823500471.db2.gz IBSXKPIXVIWRME-SFHVURJKSA-N 1 0 389.927 4.347 20 0 GIADRO Cc1cc(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)ccc1NC(=O)CC(C)C ZINC000460731619 823498470 /nfs/dbraw/zinc/49/84/70/823498470.db2.gz UEZSWSFGLGEDDU-ROUUACIJSA-N 1 0 387.568 4.077 20 0 GIADRO Cc1ccc(COc2ccc(C[NH2+]Cc3cccnc3-n3ccnc3)cc2)cc1 ZINC000030902438 820706247 /nfs/dbraw/zinc/70/62/47/820706247.db2.gz CJYGIJTZHZTODE-UHFFFAOYSA-N 1 0 384.483 4.445 20 0 GIADRO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000030909037 820707446 /nfs/dbraw/zinc/70/74/46/820707446.db2.gz BFVXGFNHWLTMOF-XMMPIXPASA-N 1 0 388.559 4.302 20 0 GIADRO O=C(N1CC[NH+](C2CCCC2)CC1)C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000460750949 823503927 /nfs/dbraw/zinc/50/39/27/823503927.db2.gz FBBQEJQYHQDWFN-UHFFFAOYSA-N 1 0 380.454 4.214 20 0 GIADRO Cc1cccc(C)c1NC(=O)C[NH2+][C@@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000123388760 823504318 /nfs/dbraw/zinc/50/43/18/823504318.db2.gz COWXDOYTSLSOSH-ZWKOTPCHSA-N 1 0 389.540 4.010 20 0 GIADRO CC[C@H](NC(=O)NCc1cccc(C[NH+](C)C)c1)c1ccccc1OC(F)F ZINC000031125303 820747555 /nfs/dbraw/zinc/74/75/55/820747555.db2.gz SMWDVACXSPNZBS-SFHVURJKSA-N 1 0 391.462 4.300 20 0 GIADRO COc1ccc(OCc2ccccn2)c(C[NH2+]CC[C@@](C)(O)c2ccccc2)c1 ZINC000189844454 823505139 /nfs/dbraw/zinc/50/51/39/823505139.db2.gz QTOPIJZLSUKYDL-XMMPIXPASA-N 1 0 392.499 4.057 20 0 GIADRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)C ZINC000410584439 823505562 /nfs/dbraw/zinc/50/55/62/823505562.db2.gz AMESGDKNQUECGU-FQEVSTJZSA-N 1 0 387.568 4.106 20 0 GIADRO Cc1ccc(-c2cc(C(=O)NC[C@H](c3ccccc3)[NH+]3CCCC3)on2)cc1 ZINC000031210866 820770166 /nfs/dbraw/zinc/77/01/66/820770166.db2.gz OIWZENSLNJYUTI-OAQYLSRUSA-N 1 0 375.472 4.217 20 0 GIADRO Cc1ccc(C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)cc1NC(=O)c1ccco1 ZINC000059890575 823501832 /nfs/dbraw/zinc/50/18/32/823501832.db2.gz RKTKIGAERKFMIQ-QMHKHESXSA-N 1 0 397.519 4.081 20 0 GIADRO CC[C@H]([NH2+]Cc1sc(C)nc1C)c1ccccc1OCC(=O)N1CCCC1 ZINC000123366595 823502067 /nfs/dbraw/zinc/50/20/67/823502067.db2.gz WTKRHRYYBDTHIA-SFHVURJKSA-N 1 0 387.549 4.002 20 0 GIADRO CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)C1 ZINC000059891880 823502103 /nfs/dbraw/zinc/50/21/03/823502103.db2.gz CFYISIWEFMVJHS-SFHVURJKSA-N 1 0 394.544 4.069 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)C1(Cc2ccccc2Cl)CC1 ZINC000189822338 823502211 /nfs/dbraw/zinc/50/22/11/823502211.db2.gz NKPAIGQXXYMYPN-UTKZUKDTSA-N 1 0 397.950 4.085 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)CSCc2ccc(Cl)cc2Cl)CC[N@@H+]1C ZINC000124077302 823565632 /nfs/dbraw/zinc/56/56/32/823565632.db2.gz OJZQOJXBBFAWJP-DOMZBBRYSA-N 1 0 375.365 4.168 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)c2ccc(OC3CCOCC3)cc2)c1 ZINC000460747098 823503009 /nfs/dbraw/zinc/50/30/09/823503009.db2.gz QALQFHMZXNLKIU-UHFFFAOYSA-N 1 0 396.531 4.016 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)[C@H]1CCSc2ccccc21 ZINC000460748204 823503382 /nfs/dbraw/zinc/50/33/82/823503382.db2.gz WCLOPRLBHJRWSP-FQEVSTJZSA-N 1 0 398.572 4.303 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@@H](C)c1noc(-c2ccccc2)n1)CC3 ZINC000123380923 823503432 /nfs/dbraw/zinc/50/34/32/823503432.db2.gz FUWIMYVBZIVDGH-HOCLYGCPSA-N 1 0 388.471 4.435 20 0 GIADRO O=C(C[NH2+]C1CCC(C(F)(F)F)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000123381621 823503567 /nfs/dbraw/zinc/50/35/67/823503567.db2.gz JNZBSBHIJVFFCN-UHFFFAOYSA-N 1 0 382.470 4.178 20 0 GIADRO Cc1nc(C(F)(F)F)ccc1C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000031525104 820821010 /nfs/dbraw/zinc/82/10/10/820821010.db2.gz WGNXLLCKBZOUIX-UHFFFAOYSA-N 1 0 391.437 4.325 20 0 GIADRO C[C@@H](C(=O)Nc1cccc2ncccc21)[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000060090147 823507480 /nfs/dbraw/zinc/50/74/80/823507480.db2.gz MASPILVTKDVCLX-GAJHUEQPSA-N 1 0 389.499 4.007 20 0 GIADRO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(SC(F)F)cc1 ZINC000031543932 820823010 /nfs/dbraw/zinc/82/30/10/820823010.db2.gz FBLNRECXBJLFCX-KRWDZBQOSA-N 1 0 376.472 4.396 20 0 GIADRO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1c[nH]nc1-c1ccc(Cl)cc1 ZINC000031544294 820823178 /nfs/dbraw/zinc/82/31/78/820823178.db2.gz AZGCZOGOAJDHJZ-IBGZPJMESA-N 1 0 394.906 4.125 20 0 GIADRO Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000060092890 823507704 /nfs/dbraw/zinc/50/77/04/823507704.db2.gz BJZXBHMKUCGDAO-MRXNPFEDSA-N 1 0 388.943 4.219 20 0 GIADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc(Cl)c2cc(Cl)ccc2n1 ZINC000410648571 823507855 /nfs/dbraw/zinc/50/78/55/823507855.db2.gz REQDIJHNNFMFLR-GFCCVEGCSA-N 1 0 380.319 4.344 20 0 GIADRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000031620738 820835379 /nfs/dbraw/zinc/83/53/79/820835379.db2.gz WGJWGRDFDJRPNR-UHFFFAOYSA-N 1 0 388.471 4.489 20 0 GIADRO Cc1[nH]c(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)c(C)c1C(=O)OC(C)C ZINC000031620893 820835550 /nfs/dbraw/zinc/83/55/50/820835550.db2.gz GVTHVIWSGDLYMU-UHFFFAOYSA-N 1 0 397.519 4.435 20 0 GIADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)COc2cc(Cl)c(Cl)cc2Cl)C1 ZINC000060207821 823511989 /nfs/dbraw/zinc/51/19/89/823511989.db2.gz AOSXFTGQXJNGRD-GFCCVEGCSA-N 1 0 393.742 4.262 20 0 GIADRO CCN(CC)c1ccc(/C=[NH+]/Cc2ccc(NC(=O)NC(C)C)cc2)c(O)c1 ZINC000031643619 820837550 /nfs/dbraw/zinc/83/75/50/820837550.db2.gz KUYTXLRGZDPTJT-HZHRSRAPSA-N 1 0 382.508 4.387 20 0 GIADRO Cc1cccc(NC(=O)[C@@H](C)Nc2ccc(CC[NH+]3CCSCC3)cc2)c1 ZINC000060219584 823512538 /nfs/dbraw/zinc/51/25/38/823512538.db2.gz CJHIPYUDOBYXPH-GOSISDBHSA-N 1 0 383.561 4.025 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1C)c1ccco1 ZINC000060157099 823510257 /nfs/dbraw/zinc/51/02/57/823510257.db2.gz PGYVLTKFLHBYLT-WBVHZDCISA-N 1 0 378.900 4.208 20 0 GIADRO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1csc(-c2ccccc2)n1 ZINC000060159584 823510431 /nfs/dbraw/zinc/51/04/31/823510431.db2.gz JDDRBBOUHIPPPL-IBGZPJMESA-N 1 0 391.540 4.452 20 0 GIADRO O=C(N[C@@H](c1cccc(Cl)c1)c1ccccn1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000177667521 823510858 /nfs/dbraw/zinc/51/08/58/823510858.db2.gz BBFCSGBOSKWKII-CTNGQTDRSA-N 1 0 398.938 4.094 20 0 GIADRO C[C@@H](Oc1cccc(Cl)c1)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000060167552 823510873 /nfs/dbraw/zinc/51/08/73/823510873.db2.gz JFIDUDVECZUXHE-MRXNPFEDSA-N 1 0 378.944 4.268 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)[C@H]3CCCc4ccccc43)CC2)cc1 ZINC000060185753 823511218 /nfs/dbraw/zinc/51/12/18/823511218.db2.gz PXJWGUAWNAPWKK-DEOSSOPVSA-N 1 0 392.543 4.144 20 0 GIADRO Cc1c(C(=O)NCC2([NH+]3CCSCC3)CCCC2)sc2cccc(F)c12 ZINC000031959824 820879461 /nfs/dbraw/zinc/87/94/61/820879461.db2.gz GOBAZCMRZMKOGA-UHFFFAOYSA-N 1 0 392.565 4.440 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)CCc1nc2ccccc2s1)c1ccsc1 ZINC000031987494 820884936 /nfs/dbraw/zinc/88/49/36/820884936.db2.gz ZAXIOTUNSQJLHL-QGZVFWFLSA-N 1 0 387.574 4.490 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Cc1ccc(OC(F)F)cc1)c1ccsc1 ZINC000031986505 820885127 /nfs/dbraw/zinc/88/51/27/820885127.db2.gz HNGJSAMKRSZGQW-KRWDZBQOSA-N 1 0 382.476 4.091 20 0 GIADRO O=C(CCc1c[nH]c2ccccc12)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000060220856 823512616 /nfs/dbraw/zinc/51/26/16/823512616.db2.gz FWHIRILXFCZWIZ-UHFFFAOYSA-N 1 0 379.529 4.288 20 0 GIADRO CCCc1cccc(C(C)C)c1NC(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000189957096 823517705 /nfs/dbraw/zinc/51/77/05/823517705.db2.gz SXWPWVOVVRRYNY-NRFANRHFSA-N 1 0 388.600 4.156 20 0 GIADRO CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+]C1CCOCC1 ZINC000123480600 823513345 /nfs/dbraw/zinc/51/33/45/823513345.db2.gz NSLXJFYDWCOTEL-UHFFFAOYSA-N 1 0 378.314 4.027 20 0 GIADRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCc1nc(C(F)(F)F)cs1 ZINC000189955956 823517749 /nfs/dbraw/zinc/51/77/49/823517749.db2.gz JSKJKVFBBHNXEL-ZIAGYGMSSA-N 1 0 383.483 4.408 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)CSc1ccc2ccccc2c1)c1cccc(F)c1 ZINC000032216763 820903425 /nfs/dbraw/zinc/90/34/25/820903425.db2.gz HDQCVGCMOFUWOE-OAQYLSRUSA-N 1 0 382.504 4.490 20 0 GIADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCCc2ccc(C(F)(F)F)cc2)CC1 ZINC000177696921 823514411 /nfs/dbraw/zinc/51/44/11/823514411.db2.gz LFLIRJITQVJAHD-KDURUIRLSA-N 1 0 397.529 4.128 20 0 GIADRO Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C[NH2+]C[C@@H](C)C[C@@H](C)O ZINC000123498531 823514717 /nfs/dbraw/zinc/51/47/17/823514717.db2.gz VGBHTFHXARFETR-NWDGAFQWSA-N 1 0 389.849 4.350 20 0 GIADRO Cc1ccc(Br)cc1C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000461064337 823568581 /nfs/dbraw/zinc/56/85/81/823568581.db2.gz RRRFFSDYYPWGES-IAGOWNOFSA-N 1 0 393.369 4.484 20 0 GIADRO Cc1nn(Cc2ccccc2Cl)c(Cl)c1C[NH2+][C@H]1CCC[C@@H]1CCO ZINC000189935291 823515498 /nfs/dbraw/zinc/51/54/98/823515498.db2.gz ORSGNCQXNKTKEP-KDOFPFPSSA-N 1 0 382.335 4.187 20 0 GIADRO Cc1nn(Cc2ccccc2Cl)c(Cl)c1C[NH2+][C@H]1CCC[C@H]1CCO ZINC000189935333 823515506 /nfs/dbraw/zinc/51/55/06/823515506.db2.gz ORSGNCQXNKTKEP-KSSFIOAISA-N 1 0 382.335 4.187 20 0 GIADRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1ccc(SC(F)F)cc1 ZINC000032400841 820934604 /nfs/dbraw/zinc/93/46/04/820934604.db2.gz QVJALCKQIXBUKP-UHFFFAOYSA-N 1 0 376.472 4.180 20 0 GIADRO CCCN(CCC[NH+](C)C)C(=O)N[C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000189936131 823515699 /nfs/dbraw/zinc/51/56/99/823515699.db2.gz VSNXSMIGXVKFCJ-HXUWFJFHSA-N 1 0 388.943 4.198 20 0 GIADRO CCc1ccc(C(=O)CCC(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000032462637 820949962 /nfs/dbraw/zinc/94/99/62/820949962.db2.gz FJLVVFJEBORBKW-UHFFFAOYSA-N 1 0 378.516 4.124 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000032463399 820950100 /nfs/dbraw/zinc/95/01/00/820950100.db2.gz GSMSLUWNNHCSNA-UHFFFAOYSA-N 1 0 388.515 4.015 20 0 GIADRO CCCCOc1ccc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1OC ZINC000032462445 820950107 /nfs/dbraw/zinc/95/01/07/820950107.db2.gz XCNBIHHLTBEHGI-UHFFFAOYSA-N 1 0 396.531 4.400 20 0 GIADRO Cc1nc(C)c([C@@H](C)[NH2+]C[C@@H](c2ccccc2Cl)N2CCOCC2)s1 ZINC000177723417 823516787 /nfs/dbraw/zinc/51/67/87/823516787.db2.gz MMFHVVHJMQASIX-ACJLOTCBSA-N 1 0 379.957 4.137 20 0 GIADRO C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000032483747 820957585 /nfs/dbraw/zinc/95/75/85/820957585.db2.gz WRMQLJLFNXQXQC-WBMJQRKESA-N 1 0 399.293 4.319 20 0 GIADRO C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000032483743 820957614 /nfs/dbraw/zinc/95/76/14/820957614.db2.gz WRMQLJLFNXQXQC-MLGOLLRUSA-N 1 0 399.293 4.319 20 0 GIADRO Cc1ccc(N(C)C(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000060352062 823518426 /nfs/dbraw/zinc/51/84/26/823518426.db2.gz NDCDMNQOCQMRAU-HXUWFJFHSA-N 1 0 376.422 4.412 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)COc2ccc(Cl)c(Cl)c2)[NH+]2CCCC2)o1 ZINC000060355067 823518860 /nfs/dbraw/zinc/51/88/60/823518860.db2.gz VWWXTDVKLHHXAT-QGZVFWFLSA-N 1 0 397.302 4.227 20 0 GIADRO O=C(NCc1ccc(F)c(Cl)c1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000060355541 823518987 /nfs/dbraw/zinc/51/89/87/823518987.db2.gz QUHSRKACJYKIMO-INIZCTEOSA-N 1 0 378.850 4.147 20 0 GIADRO Cc1ccc([C@H](CNC(=O)c2cccn2Cc2ccccc2)[NH+]2CCCC2)o1 ZINC000060355112 823519086 /nfs/dbraw/zinc/51/90/86/823519086.db2.gz RDFQMTMWJALIFS-NRFANRHFSA-N 1 0 377.488 4.005 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)C[N@@H+](C)[C@H](C)[C@@H](C)c2ccc(Cl)cc2)cc1 ZINC000177742495 823519192 /nfs/dbraw/zinc/51/91/92/823519192.db2.gz JPWHDZMWWGWUEW-HUUCEWRRSA-N 1 0 387.911 4.361 20 0 GIADRO CCN(C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C)[C@@H](C)Cc1ccsc1 ZINC000189972346 823519673 /nfs/dbraw/zinc/51/96/73/823519673.db2.gz IPOAXMKDHDIUNO-JXFKEZNVSA-N 1 0 389.565 4.022 20 0 GIADRO CCOc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1cccc(N3CCOC3=O)c1)CCO2 ZINC000177748007 823520016 /nfs/dbraw/zinc/52/00/16/823520016.db2.gz MMGZYZQBHMNMTR-QRWLVFNGSA-N 1 0 382.460 4.216 20 0 GIADRO COc1cc(Br)ccc1[C@H](C)[NH2+][C@H](C)C(=O)Nc1ccccc1C ZINC000189976809 823520202 /nfs/dbraw/zinc/52/02/02/823520202.db2.gz GLVQCTOGQLEHQR-UONOGXRCSA-N 1 0 391.309 4.444 20 0 GIADRO COc1cc(F)c([C@@H](C)[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)cc1OC ZINC000177750109 823520321 /nfs/dbraw/zinc/52/03/21/823520321.db2.gz QJUOKCUDEQRWMH-ZIAGYGMSSA-N 1 0 388.439 4.211 20 0 GIADRO Cc1ccc(-c2nc(CC(=O)NC[C@@H](c3cccc(F)c3)[NH+](C)C)cs2)cc1 ZINC000032729680 820998796 /nfs/dbraw/zinc/99/87/96/820998796.db2.gz IAMCADVAITXDSC-FQEVSTJZSA-N 1 0 397.519 4.219 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)/C=C/c1ccccc1OC(F)(F)F)c1cccc(F)c1 ZINC000032731758 820999590 /nfs/dbraw/zinc/99/95/90/820999590.db2.gz SBKUJBCNABHLIQ-DVQDXYAYSA-N 1 0 396.384 4.157 20 0 GIADRO CC[NH+](CC)CCCNC(=O)c1cn(C(C)(C)C)nc1-c1ccc(F)cc1F ZINC000460816493 823520463 /nfs/dbraw/zinc/52/04/63/823520463.db2.gz PRDBYRUBYHPICN-UHFFFAOYSA-N 1 0 392.494 4.045 20 0 GIADRO C[C@@H](CNC(=O)Cc1csc(-c2ccccc2Cl)n1)[N@@H+]1CCCC[C@H]1C ZINC000032733256 821000438 /nfs/dbraw/zinc/00/04/38/821000438.db2.gz GCUWTWMMWIYLBJ-CABCVRRESA-N 1 0 391.968 4.385 20 0 GIADRO C[C@@H](CNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1)[N@@H+]1CCCC[C@@H]1C ZINC000032733697 821000560 /nfs/dbraw/zinc/00/05/60/821000560.db2.gz UCKMPXNRFCBPJL-HOTGVXAUSA-N 1 0 375.513 4.026 20 0 GIADRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)c2cc(F)cc3cccnc32)CC1 ZINC000123553409 823520575 /nfs/dbraw/zinc/52/05/75/823520575.db2.gz GFDUMYJHJIKAGR-UHFFFAOYSA-N 1 0 391.490 4.358 20 0 GIADRO CCCC[NH+]1CCN([C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000060370079 823520675 /nfs/dbraw/zinc/52/06/75/823520675.db2.gz DDMQYYBFAIJMIJ-CQSZACIVSA-N 1 0 382.430 4.234 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(F)c(F)c1)c1ccc(OCC(F)(F)F)cc1 ZINC000177753483 823520819 /nfs/dbraw/zinc/52/08/19/823520819.db2.gz IDMQAMXHWHABLI-PIGZYNQJSA-N 1 0 375.337 4.290 20 0 GIADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccc(Br)cc1F ZINC000032761942 821004380 /nfs/dbraw/zinc/00/43/80/821004380.db2.gz PQOHIEUWDCYJBT-HNNXBMFYSA-N 1 0 397.313 4.217 20 0 GIADRO Cc1c(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cnn1-c1ccccc1C ZINC000032763047 821004950 /nfs/dbraw/zinc/00/49/50/821004950.db2.gz ABJHGZABIBOLCK-FQEVSTJZSA-N 1 0 394.544 4.118 20 0 GIADRO COCc1cc([C@H](C)[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)ccc1OC ZINC000177755351 823521259 /nfs/dbraw/zinc/52/12/59/823521259.db2.gz YSQUUXQQPUMQNR-CVEARBPZSA-N 1 0 384.476 4.210 20 0 GIADRO CCNC(=S)C(C(=O)c1ccc(Cl)s1)[n+]1ccc2c(c1)CCCC2 ZINC000032813726 821010939 /nfs/dbraw/zinc/01/09/39/821010939.db2.gz RFFFABOACIKPNG-UHFFFAOYSA-O 1 0 379.958 4.116 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)/C=C/c2ccc3ccc(Cl)cc3n2)c1 ZINC000033089631 821032023 /nfs/dbraw/zinc/03/20/23/821032023.db2.gz MHTXOGVGYYEHHK-ZHACJKMWSA-N 1 0 379.891 4.279 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)Cc2csc(-c3ccccc3Cl)n2)c1 ZINC000033084970 821032043 /nfs/dbraw/zinc/03/20/43/821032043.db2.gz WOHPKRVBLSULHE-UHFFFAOYSA-N 1 0 399.947 4.384 20 0 GIADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2sc(-c3ccccc3)nc2C)o1 ZINC000060407231 823524198 /nfs/dbraw/zinc/52/41/98/823524198.db2.gz DRQZIRUDQDUROF-UHFFFAOYSA-N 1 0 383.517 4.224 20 0 GIADRO CCS[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000190025501 823527707 /nfs/dbraw/zinc/52/77/07/823527707.db2.gz LKHRVIABWBFGSP-YQQAZPJKSA-N 1 0 391.606 4.297 20 0 GIADRO C[C@@H](CC(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccc(Br)cc1 ZINC000123639630 823528319 /nfs/dbraw/zinc/52/83/19/823528319.db2.gz CNLZESXWNVXBDP-HNNXBMFYSA-N 1 0 393.369 4.466 20 0 GIADRO Cc1csc(SCc2ccccc2C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)n1 ZINC000123643487 823528677 /nfs/dbraw/zinc/52/86/77/823528677.db2.gz FYWJJHQNTQQPBY-NVXWUHKLSA-N 1 0 389.590 4.299 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1ccccc1COc1ccccc1)c1cccs1 ZINC000035982388 821067302 /nfs/dbraw/zinc/06/73/02/821067302.db2.gz DNJLUWHQTYLVNR-HXUWFJFHSA-N 1 0 380.513 4.360 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1ccccc1COc1ccccc1)c1cccs1 ZINC000035982387 821067607 /nfs/dbraw/zinc/06/76/07/821067607.db2.gz DNJLUWHQTYLVNR-FQEVSTJZSA-N 1 0 380.513 4.360 20 0 GIADRO COc1cc(C[N@@H+]2CCC[C@H]2c2ccccc2)ccc1OCC(=O)N1CCCC1 ZINC000123648440 823529006 /nfs/dbraw/zinc/52/90/06/823529006.db2.gz SNGJYGIIHTVTCY-NRFANRHFSA-N 1 0 394.515 4.034 20 0 GIADRO CC[C@H]([NH2+]CCCS(=O)(=O)c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000177812310 823529087 /nfs/dbraw/zinc/52/90/87/823529087.db2.gz WROHASGPKYPKOU-SFHVURJKSA-N 1 0 383.460 4.193 20 0 GIADRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1csc(-c2ccccc2OC)n1 ZINC000060453119 823529432 /nfs/dbraw/zinc/52/94/32/823529432.db2.gz FXOGXYNFRVGSTK-HNNXBMFYSA-N 1 0 375.538 4.059 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)c1ccccc1 ZINC000036692794 821076476 /nfs/dbraw/zinc/07/64/76/821076476.db2.gz WPNDXAWJTFZJRG-XZOQPEGZSA-N 1 0 396.531 4.057 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(OC(C)C)c(OC)c1)c1ccccc1 ZINC000036692860 821076511 /nfs/dbraw/zinc/07/65/11/821076511.db2.gz CNHDBRTYOGJGOF-HXUWFJFHSA-N 1 0 384.520 4.295 20 0 GIADRO COc1ccc(OCCC(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000060414176 823524980 /nfs/dbraw/zinc/52/49/80/823524980.db2.gz KECFXHRHWSJBPM-LJQANCHMSA-N 1 0 396.531 4.012 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)CCC(=O)c3ccccc3)cc2)C1 ZINC000060414247 823525002 /nfs/dbraw/zinc/52/50/02/823525002.db2.gz KJAYDBWBBKLDSQ-LJQANCHMSA-N 1 0 378.516 4.198 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)c1ccccc1C(F)(F)F)c1cccc(N2CCCC2=O)c1 ZINC000177779582 823525120 /nfs/dbraw/zinc/52/51/20/823525120.db2.gz LZJXXWRHZSVOBC-LIRRHRJNSA-N 1 0 392.421 4.216 20 0 GIADRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1cc(Br)ccc1F ZINC000036883746 821089302 /nfs/dbraw/zinc/08/93/02/821089302.db2.gz FWSJAAKQILCMPD-SFHVURJKSA-N 1 0 391.284 4.155 20 0 GIADRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc(Br)ccc1Cl ZINC000037976367 821093487 /nfs/dbraw/zinc/09/34/87/821093487.db2.gz FNTZNETXHDPLPE-LBPRGKRZSA-N 1 0 375.738 4.343 20 0 GIADRO COCc1ccccc1C[NH2+][C@H](C)c1ccc(I)cc1 ZINC000037762812 821093572 /nfs/dbraw/zinc/09/35/72/821093572.db2.gz AIVPQYTXWQYKBD-CYBMUJFWSA-N 1 0 381.257 4.288 20 0 GIADRO COc1ccccc1CCC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000060425963 823526037 /nfs/dbraw/zinc/52/60/37/823526037.db2.gz ZEJKHUCDRLDSBA-LJQANCHMSA-N 1 0 380.532 4.319 20 0 GIADRO CN(C(=O)NCc1ccc(CC[NH+](C)C)cc1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000460842389 823526688 /nfs/dbraw/zinc/52/66/88/823526688.db2.gz XOMFCIKGAWUVLI-HDICACEKSA-N 1 0 385.474 4.053 20 0 GIADRO CC(C)c1ccc(NC(=S)NCc2ccc(CN3CC[NH+](C)CC3)cc2)cc1 ZINC000060432854 823526956 /nfs/dbraw/zinc/52/69/56/823526956.db2.gz WAUYRCLTVOYJQG-UHFFFAOYSA-N 1 0 396.604 4.044 20 0 GIADRO O=C(NCc1coc(-c2cccs2)n1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000123678864 823530959 /nfs/dbraw/zinc/53/09/59/823530959.db2.gz SGOXNMULUSHPEX-INIZCTEOSA-N 1 0 399.491 4.071 20 0 GIADRO C[N@@H+](Cc1cnn(-c2ccccc2)c1)C[C@@H](O)c1ccccc1C(F)(F)F ZINC000060465930 823531277 /nfs/dbraw/zinc/53/12/77/823531277.db2.gz QAHJXUBCZCEGSI-LJQANCHMSA-N 1 0 375.394 4.057 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)C1 ZINC000177846457 823535530 /nfs/dbraw/zinc/53/55/30/823535530.db2.gz TZUUNFNEJFJKTA-SFHVURJKSA-N 1 0 385.483 4.101 20 0 GIADRO COc1ccc(CCC(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)cc1 ZINC000040615951 821162144 /nfs/dbraw/zinc/16/21/44/821162144.db2.gz OAVYLPHRCOEGGP-QHCPKHFHSA-N 1 0 380.532 4.217 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)c2cccc(Br)c2)[NH+]2CCCC2)cc1 ZINC000040615427 821162545 /nfs/dbraw/zinc/16/25/45/821162545.db2.gz QJVDCHPMQZXNER-LJQANCHMSA-N 1 0 387.321 4.324 20 0 GIADRO O=C(N[C@@H]1CCCc2sccc21)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000460883573 823535729 /nfs/dbraw/zinc/53/57/29/823535729.db2.gz NZWWGJKLJBMZAR-SVFBPWRDSA-N 1 0 395.572 4.289 20 0 GIADRO Cc1oc(-c2cccs2)nc1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000060506470 823535707 /nfs/dbraw/zinc/53/57/07/823535707.db2.gz YNHYLFLPTQFYDH-UHFFFAOYSA-N 1 0 381.501 4.237 20 0 GIADRO Cc1nc([C@H]2CCCN2C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cs1 ZINC000190072116 823534025 /nfs/dbraw/zinc/53/40/25/823534025.db2.gz CBEIKZDQIIBKOR-OAQYLSRUSA-N 1 0 398.576 4.484 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(NC(=O)c2ccco2)cc1)c1ccc2c(c1)OCCO2 ZINC000177838280 823534286 /nfs/dbraw/zinc/53/42/86/823534286.db2.gz DULUTLJRBBJKGT-OAHLLOKOSA-N 1 0 378.428 4.154 20 0 GIADRO CCC[N@@H+](CC(=O)N1CCC(OCc2ccccc2)CC1)CC1CCCCC1 ZINC000060495273 823534427 /nfs/dbraw/zinc/53/44/27/823534427.db2.gz RIVYGUHWYKQJAH-UHFFFAOYSA-N 1 0 386.580 4.487 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1nc(C(C)C)ncc1Cl)c1ccsc1 ZINC000123718904 823534762 /nfs/dbraw/zinc/53/47/62/823534762.db2.gz BUGYAUDLEVNXNU-HNNXBMFYSA-N 1 0 380.945 4.128 20 0 GIADRO C[C@H]([NH2+]C(C)(C)CNC(=O)c1ccc(OC2CCOCC2)cc1)c1ccccc1 ZINC000460878427 823534787 /nfs/dbraw/zinc/53/47/87/823534787.db2.gz HDMKZBWQWYUYAD-SFHVURJKSA-N 1 0 396.531 4.104 20 0 GIADRO CCC[NH+]1CCN(c2ccc(NC(=O)c3ccccc3C)c(OCC)c2)CC1 ZINC000190078116 823534820 /nfs/dbraw/zinc/53/48/20/823534820.db2.gz DUZXSFPBVAZWAS-UHFFFAOYSA-N 1 0 381.520 4.178 20 0 GIADRO COc1ccc(-c2nc3c(s2)[C@H]([NH2+]Cc2ccnc(OC)c2)CCC3)cc1 ZINC000177842106 823534991 /nfs/dbraw/zinc/53/49/91/823534991.db2.gz YGUYKRIMSNNHKU-QGZVFWFLSA-N 1 0 381.501 4.390 20 0 GIADRO Cc1ccc(Br)cc1C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000460890493 823536524 /nfs/dbraw/zinc/53/65/24/823536524.db2.gz VOWAUZBZMBXUNC-KRWDZBQOSA-N 1 0 393.369 4.342 20 0 GIADRO COc1cccc([C@@H](CNC(=O)c2cc(C)n(C(C)C)c2C)[NH+]2CCCC2)c1 ZINC000041596630 821213677 /nfs/dbraw/zinc/21/36/77/821213677.db2.gz WQHHLDZJAYQYIH-JOCHJYFZSA-N 1 0 383.536 4.261 20 0 GIADRO Cc1ccc(-c2nnco2)cc1NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000123747016 823536973 /nfs/dbraw/zinc/53/69/73/823536973.db2.gz OMTXCHBVGOAFHS-UHFFFAOYSA-N 1 0 397.523 4.210 20 0 GIADRO Cc1c(C(=O)NCc2ccccc2C[NH+]2CCCCC2)oc2c1C(=O)CCC2 ZINC000041687906 821217173 /nfs/dbraw/zinc/21/71/73/821217173.db2.gz YLJBSIVMMSCJML-UHFFFAOYSA-N 1 0 380.488 4.023 20 0 GIADRO CC[NH+](CC)CCN(C(=O)c1ccsc1)c1cccc(Br)c1 ZINC000060548198 823541006 /nfs/dbraw/zinc/54/10/06/823541006.db2.gz OYQJVCVNIUBVPI-UHFFFAOYSA-N 1 0 381.339 4.499 20 0 GIADRO C[N@@H+]1CCCC[C@@H]1CCSc1nc2ccccc2c(=O)n1Cc1ccco1 ZINC000041771284 821227581 /nfs/dbraw/zinc/22/75/81/821227581.db2.gz VPDDWPDXKXWREZ-MRXNPFEDSA-N 1 0 383.517 4.004 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)Nc2nc(CN3CCC(C)CC3)cs2)o1 ZINC000041816058 821233389 /nfs/dbraw/zinc/23/33/89/821233389.db2.gz DXLXKDKJXLHIGV-UHFFFAOYSA-N 1 0 390.553 4.062 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000177864809 823538323 /nfs/dbraw/zinc/53/83/23/823538323.db2.gz LSOHUKUKECBZJQ-KGLIPLIRSA-N 1 0 387.471 4.273 20 0 GIADRO Cc1ccc([C@H](CNC(=O)c2ncoc2-c2ccc(C)cc2)[NH+]2CCCC2)o1 ZINC000460900482 823538425 /nfs/dbraw/zinc/53/84/25/823538425.db2.gz WAVXKKUXZMJVIR-SFHVURJKSA-N 1 0 379.460 4.118 20 0 GIADRO COc1ccc(C[NH2+][C@@H](C)COc2cccc(F)c2)cc1OCc1cccnc1 ZINC000060527568 823538588 /nfs/dbraw/zinc/53/85/88/823538588.db2.gz HYUGLPBKIBNSPK-KRWDZBQOSA-N 1 0 396.462 4.365 20 0 GIADRO CC(C)c1ccc(NC(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c(C(C)C)c1 ZINC000190112531 823538597 /nfs/dbraw/zinc/53/85/97/823538597.db2.gz PIDCIMOFCXPQJE-KRWDZBQOSA-N 1 0 375.557 4.242 20 0 GIADRO C[N@@H+]1CC[C@@H](CNC(=O)CCOc2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123763407 823538607 /nfs/dbraw/zinc/53/86/07/823538607.db2.gz RQJNLTFGDNQBTF-KKSFZXQISA-N 1 0 390.886 4.057 20 0 GIADRO COc1ccc(C(=O)Nc2cccc(C[NH2+]C[C@@H](OC)c3ccccc3)c2)cc1 ZINC000060528394 823538723 /nfs/dbraw/zinc/53/87/23/823538723.db2.gz DVLASBLLPYGBAW-HSZRJFAPSA-N 1 0 390.483 4.425 20 0 GIADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2cc(-c3cccc(F)c3)no2)CC1 ZINC000041899510 821244112 /nfs/dbraw/zinc/24/41/12/821244112.db2.gz ZCYDQPBBNUACMC-UHFFFAOYSA-N 1 0 393.462 4.137 20 0 GIADRO COc1cc(NC(=O)C[NH2+][C@@H](CC(C)C)c2ccccc2)cc(OC)c1OC ZINC000123766441 823538799 /nfs/dbraw/zinc/53/87/99/823538799.db2.gz ATXFUTSEYHEKKC-SFHVURJKSA-N 1 0 386.492 4.028 20 0 GIADRO CC(C)[N@H+](C)CCCNC(=O)c1ccc(SCc2cn3ccccc3n2)cc1 ZINC000041928902 821245801 /nfs/dbraw/zinc/24/58/01/821245801.db2.gz RPJRPDCOHLVJGE-UHFFFAOYSA-N 1 0 396.560 4.087 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)N(C)C)c2)cc1 ZINC000041935854 821248505 /nfs/dbraw/zinc/24/85/05/821248505.db2.gz QLEFSSNYJDQPGQ-UHFFFAOYSA-N 1 0 387.911 4.136 20 0 GIADRO C[C@@H]1C[NH+](CCCCNC(=O)c2[nH]c3ccc(Cl)cc3c2Cl)C[C@@H](C)O1 ZINC000123772201 823539354 /nfs/dbraw/zinc/53/93/54/823539354.db2.gz YFQLDJCGHMYXMP-CHWSQXEVSA-N 1 0 398.334 4.094 20 0 GIADRO O=C(NC1CC[NH+](C2CC2)CC1)N1CC=C(c2cccc3ccccc32)CC1 ZINC000060536009 823539559 /nfs/dbraw/zinc/53/95/59/823539559.db2.gz QUKNSXPYIBTWQB-UHFFFAOYSA-N 1 0 375.516 4.265 20 0 GIADRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ncoc1-c1ccccc1Cl ZINC000460907609 823539789 /nfs/dbraw/zinc/53/97/89/823539789.db2.gz LFLLGXQJRSNKQC-HNNXBMFYSA-N 1 0 375.900 4.379 20 0 GIADRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000177885889 823541274 /nfs/dbraw/zinc/54/12/74/823541274.db2.gz QPWAILYSZYPFAC-INIZCTEOSA-N 1 0 388.353 4.029 20 0 GIADRO CCCCNC(=O)c1ccc(C[NH2+][C@H](C)CC(=O)Nc2cccc(C)c2C)cc1 ZINC000177877324 823539955 /nfs/dbraw/zinc/53/99/55/823539955.db2.gz HPMSUKGIEOJABO-GOSISDBHSA-N 1 0 395.547 4.340 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(N2CCCC2)nc1)c1cc(Br)ccc1F ZINC000177885808 823541344 /nfs/dbraw/zinc/54/13/44/823541344.db2.gz CSEGTWHVZDNRGB-ZDUSSCGKSA-N 1 0 378.289 4.434 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)CCCOc2ccc(F)cc2)CC1 ZINC000042127285 821270311 /nfs/dbraw/zinc/27/03/11/821270311.db2.gz KTYYMTSQMAELNR-UHFFFAOYSA-N 1 0 384.495 4.074 20 0 GIADRO CCc1ccc(C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C2CC2)cc1 ZINC000042146751 821274417 /nfs/dbraw/zinc/27/44/17/821274417.db2.gz AXXOTGSKTULFBK-NRFANRHFSA-N 1 0 396.494 4.451 20 0 GIADRO Cc1cc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)c(C)n1[C@H](C)c1ccccc1 ZINC000042386438 821305948 /nfs/dbraw/zinc/30/59/48/821305948.db2.gz ZQQPOFGKPRLXGN-LJQANCHMSA-N 1 0 388.515 4.072 20 0 GIADRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C ZINC000042538824 821309834 /nfs/dbraw/zinc/30/98/34/821309834.db2.gz RMCBYDGPNKECMI-HNNXBMFYSA-N 1 0 376.932 4.074 20 0 GIADRO Cc1noc(C)c1CSc1ccccc1C(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000042587001 821312616 /nfs/dbraw/zinc/31/26/16/821312616.db2.gz QJAVFINXEPHUMD-KRWDZBQOSA-N 1 0 389.565 4.290 20 0 GIADRO O[C@@H](COc1ccc2ccccc2c1)C[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000042634974 821316780 /nfs/dbraw/zinc/31/67/80/821316780.db2.gz ZJIJNWMAOIUOTC-NOZRDPDXSA-N 1 0 391.511 4.025 20 0 GIADRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC(c3ccc(O)cc3)CC2)cc1 ZINC000042633636 821316876 /nfs/dbraw/zinc/31/68/76/821316876.db2.gz UTHZDNNLMHKDJI-LJQANCHMSA-N 1 0 391.515 4.215 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2cccc3ccccc32)c1 ZINC000042636575 821317274 /nfs/dbraw/zinc/31/72/74/821317274.db2.gz PDJDNPOTJCEUIK-CVEARBPZSA-N 1 0 375.472 4.476 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)C1CCCCC1 ZINC000042723020 821327394 /nfs/dbraw/zinc/32/73/94/821327394.db2.gz SELIISOPXUDAFI-FQEVSTJZSA-N 1 0 397.563 4.038 20 0 GIADRO CC(=O)c1ccc(NC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000042754903 821331028 /nfs/dbraw/zinc/33/10/28/821331028.db2.gz HOCYBSAAOJDGRD-UHFFFAOYSA-N 1 0 385.895 4.329 20 0 GIADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)NCc2nc3ccccc3s2)CC1 ZINC000042815588 821335203 /nfs/dbraw/zinc/33/52/03/821335203.db2.gz MFSNWFGZQLXLPC-UHFFFAOYSA-N 1 0 394.544 4.022 20 0 GIADRO C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000043036471 821355720 /nfs/dbraw/zinc/35/57/20/821355720.db2.gz HXFLSAYZBGAASY-CYBMUJFWSA-N 1 0 381.303 4.139 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccccc1SCc1cscn1 ZINC000043118095 821363570 /nfs/dbraw/zinc/36/35/70/821363570.db2.gz ZYMHSKSAPWRSJN-MRXNPFEDSA-N 1 0 389.590 4.430 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Nc1ccccc1Br)c1cccc(F)c1 ZINC000043133605 821365236 /nfs/dbraw/zinc/36/52/36/821365236.db2.gz GLTDPUUYOSNQRN-INIZCTEOSA-N 1 0 380.261 4.013 20 0 GIADRO Cc1cccc(NC(=O)NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)c1C ZINC000043136588 821366522 /nfs/dbraw/zinc/36/65/22/821366522.db2.gz WEXNCNZFAGVPOR-ROUUACIJSA-N 1 0 381.520 4.234 20 0 GIADRO CCOc1ccc(NC(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCC2)cc1 ZINC000043146013 821367804 /nfs/dbraw/zinc/36/78/04/821367804.db2.gz JZHGCNPUBIAGCR-HXUWFJFHSA-N 1 0 383.492 4.053 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)N(Cc1ccco1)Cc1ccccc1)c1cccs1 ZINC000043145709 821367954 /nfs/dbraw/zinc/36/79/54/821367954.db2.gz KNLZWPSMKNNXMT-IBGZPJMESA-N 1 0 383.517 4.356 20 0 GIADRO CCc1cccc(C)c1NC(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000043156297 821369681 /nfs/dbraw/zinc/36/96/81/821369681.db2.gz VEXJLLHVKIMRAK-RTBURBONSA-N 1 0 395.547 4.488 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)Nc1cccc(SC)c1)[NH+]1CCCC1 ZINC000043157440 821369864 /nfs/dbraw/zinc/36/98/64/821369864.db2.gz AUJZKZLRSDJDRK-IBGZPJMESA-N 1 0 385.533 4.376 20 0 GIADRO CCN1CC[NH+](CCCCNC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000043173525 821374080 /nfs/dbraw/zinc/37/40/80/821374080.db2.gz HGAZHYVKUQQBDS-UHFFFAOYSA-N 1 0 396.535 4.018 20 0 GIADRO Cc1ccc(-c2nnc([C@H](C)[N@@H+]3CCC[C@H](c4nncn4C(C)C)C3)o2)cc1C ZINC000180629679 821375260 /nfs/dbraw/zinc/37/52/60/821375260.db2.gz NYPALLFECJFQJM-HKUYNNGSSA-N 1 0 394.523 4.466 20 0 GIADRO C[NH+](C)CCN(Cc1ccccc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000043192756 821377133 /nfs/dbraw/zinc/37/71/33/821377133.db2.gz JXMSMRIRCHMHFI-UHFFFAOYSA-N 1 0 381.398 4.181 20 0 GIADRO COc1ccc([C@H]2CCCN2C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000043231975 821378002 /nfs/dbraw/zinc/37/80/02/821378002.db2.gz PRNKOFVUYCDDLY-UXHICEINSA-N 1 0 399.560 4.440 20 0 GIADRO COc1ccc([C@@H](CNC(=O)Nc2ccc(F)c(F)c2F)[NH+]2CCCC2)cc1 ZINC000043233874 821378805 /nfs/dbraw/zinc/37/88/05/821378805.db2.gz RIFIZJSQSKUBTD-QGZVFWFLSA-N 1 0 393.409 4.071 20 0 GIADRO C[C@H](NC(=O)NC1CC[NH+](Cc2ccccn2)CC1)c1cccc2ccccc21 ZINC000043235684 821379410 /nfs/dbraw/zinc/37/94/10/821379410.db2.gz OHACMPCRYTVBBA-SFHVURJKSA-N 1 0 388.515 4.260 20 0 GIADRO Cc1cc(N2CCCC2)ccc1NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180653375 821383818 /nfs/dbraw/zinc/38/38/18/821383818.db2.gz DIDXBXSFZBLJBC-UHFFFAOYSA-N 1 0 393.535 4.028 20 0 GIADRO Cc1ccc(F)cc1NC(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000043277304 821385847 /nfs/dbraw/zinc/38/58/47/821385847.db2.gz URNSHUUKVWAZLT-CALCHBBNSA-N 1 0 385.483 4.065 20 0 GIADRO COC(=O)CC[C@H]([NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1)c1ccccc1 ZINC000180667389 821388108 /nfs/dbraw/zinc/38/81/08/821388108.db2.gz FTILLXCKGGWWBX-UTKZUKDTSA-N 1 0 380.488 4.159 20 0 GIADRO CCN(Cc1ccccc1)C(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000043306903 821389208 /nfs/dbraw/zinc/38/92/08/821389208.db2.gz OWDMZUGUUUOGBE-QFIPXVFZSA-N 1 0 381.520 4.064 20 0 GIADRO COc1cccc([C@@H](CNC(=O)N2CCC[C@H]2c2cccs2)[NH+]2CCCC2)c1 ZINC000043307071 821389759 /nfs/dbraw/zinc/38/97/59/821389759.db2.gz TWNDMHXFPPAFIB-VQTJNVASSA-N 1 0 399.560 4.440 20 0 GIADRO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)N1CCC[C@H]1c1ccncc1 ZINC000043307147 821389861 /nfs/dbraw/zinc/38/98/61/821389861.db2.gz IXFSLZKGWIUNOI-LEWJYISDSA-N 1 0 398.938 4.419 20 0 GIADRO Cc1cc2ncc([C@@H](C)[NH2+]CC3(c4ccccc4Cl)CCOCC3)c(C)n2n1 ZINC000180677673 821392047 /nfs/dbraw/zinc/39/20/47/821392047.db2.gz KUFLYFZERICNTJ-MRXNPFEDSA-N 1 0 398.938 4.399 20 0 GIADRO Cc1cc2ncc([C@H](C)[NH2+]CC3(c4ccccc4Cl)CCOCC3)c(C)n2n1 ZINC000180677692 821392132 /nfs/dbraw/zinc/39/21/32/821392132.db2.gz KUFLYFZERICNTJ-INIZCTEOSA-N 1 0 398.938 4.399 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1)c1ccc(N2CCOC2=O)cc1 ZINC000180689878 821396761 /nfs/dbraw/zinc/39/67/61/821396761.db2.gz BFZLRFLCGVZYIK-UGSOOPFHSA-N 1 0 394.393 4.046 20 0 GIADRO O[C@@H](COCc1ccco1)C[NH+]1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC000180692218 821397744 /nfs/dbraw/zinc/39/77/44/821397744.db2.gz CMNSSOJASBGMBZ-GOSISDBHSA-N 1 0 383.410 4.056 20 0 GIADRO COCc1cc([C@H](C)[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)ccc1OC ZINC000180691758 821397931 /nfs/dbraw/zinc/39/79/31/821397931.db2.gz GGIQEKPQNLZYCH-SCLBCKFNSA-N 1 0 383.410 4.245 20 0 GIADRO COc1ccccc1[C@@H]([NH2+]C1CCN(c2nccs2)CC1)c1ccccc1 ZINC000180695149 821399145 /nfs/dbraw/zinc/39/91/45/821399145.db2.gz WYUQMPVMCGQLOA-NRFANRHFSA-N 1 0 379.529 4.500 20 0 GIADRO COc1ccccc1[C@H]([NH2+]C1CCN(Cc2ccccn2)CC1)c1ccccc1 ZINC000180695341 821399471 /nfs/dbraw/zinc/39/94/71/821399471.db2.gz OCYIITGMVFIVDS-RUZDIDTESA-N 1 0 387.527 4.434 20 0 GIADRO COc1cc2c(cc1OC)CN(C(=O)CCC[NH2+]C1CCCCCCC1)CC2 ZINC000180696955 821400477 /nfs/dbraw/zinc/40/04/77/821400477.db2.gz QHUXUBCZSCHRLD-UHFFFAOYSA-N 1 0 388.552 4.071 20 0 GIADRO Cn1ncc2c1CCC[C@@H]2NC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000043390845 821401086 /nfs/dbraw/zinc/40/10/86/821401086.db2.gz NEPFGZWILLBBAA-NRFANRHFSA-N 1 0 395.551 4.384 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000180701306 821403709 /nfs/dbraw/zinc/40/37/09/821403709.db2.gz KTGIXOLHVSZGEA-JOCHJYFZSA-N 1 0 395.890 4.451 20 0 GIADRO CCOc1ccc(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1OCC ZINC000043417097 821405237 /nfs/dbraw/zinc/40/52/37/821405237.db2.gz OUZQYDSEIMWTCM-KRWDZBQOSA-N 1 0 387.480 4.036 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)c(OC)c1 ZINC000180706602 821407884 /nfs/dbraw/zinc/40/78/84/821407884.db2.gz YHKTVTYUARDUOZ-ZDUSSCGKSA-N 1 0 387.867 4.301 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)c(OC)c1 ZINC000180706622 821407916 /nfs/dbraw/zinc/40/79/16/821407916.db2.gz YHKTVTYUARDUOZ-CYBMUJFWSA-N 1 0 387.867 4.301 20 0 GIADRO C[C@H]([NH2+]CCc1nc(-c2ccc(Cl)cc2)no1)c1ccc2c(c1)OCCO2 ZINC000180707187 821408273 /nfs/dbraw/zinc/40/82/73/821408273.db2.gz IJYDNDCWNSZIHW-ZDUSSCGKSA-N 1 0 385.851 4.055 20 0 GIADRO CN(CC1CC[NH+](C)CC1)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000180708451 821409516 /nfs/dbraw/zinc/40/95/16/821409516.db2.gz JEBKSIPISAIOMG-GOSISDBHSA-N 1 0 383.458 4.140 20 0 GIADRO Cc1ccc(-c2ccc(C(=O)NC3CC[NH+](Cc4ccccn4)CC3)s2)o1 ZINC000180717793 821415503 /nfs/dbraw/zinc/41/55/03/821415503.db2.gz RNNFPRMSVQVEJG-UHFFFAOYSA-N 1 0 381.501 4.106 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N(C)Cc1ccc(Cl)s1 ZINC000043491012 821416034 /nfs/dbraw/zinc/41/60/34/821416034.db2.gz FMDMYDGLQXHIBB-UHFFFAOYSA-N 1 0 392.956 4.126 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)Nc1ccc2oc(C3CC3)nc2c1 ZINC000180721407 821417800 /nfs/dbraw/zinc/41/78/00/821417800.db2.gz KCXHWDGBTRIRTD-UHFFFAOYSA-N 1 0 391.475 4.138 20 0 GIADRO Cn1cc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)c(-c2ccccc2)n1 ZINC000180724442 821418860 /nfs/dbraw/zinc/41/88/60/821418860.db2.gz TWVIORKZQMNLJM-VXKWHMMOSA-N 1 0 379.479 4.314 20 0 GIADRO Cn1cc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)c(-c2cccs2)n1 ZINC000180724308 821419108 /nfs/dbraw/zinc/41/91/08/821419108.db2.gz XSVPEOWBABKZAD-OALUTQOASA-N 1 0 385.508 4.376 20 0 GIADRO COCc1cccc(C(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)c1 ZINC000043506110 821420145 /nfs/dbraw/zinc/42/01/45/821420145.db2.gz DEDWSWKRDXANMY-UHFFFAOYSA-N 1 0 388.511 4.492 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)Nc1cccc2cccnc21)[NH+]1CCCC1 ZINC000043529583 821423193 /nfs/dbraw/zinc/42/31/93/821423193.db2.gz KDTYHXFMTISKNK-HXUWFJFHSA-N 1 0 390.487 4.202 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)Nc1cccc2cccnc21)[NH+]1CCCC1 ZINC000043529584 821423212 /nfs/dbraw/zinc/42/32/12/821423212.db2.gz KDTYHXFMTISKNK-FQEVSTJZSA-N 1 0 390.487 4.202 20 0 GIADRO C[C@H](NCC1([NH+]2CCCCC2)CCOCC1)c1ccccc1OC(F)(F)F ZINC000180740603 821428380 /nfs/dbraw/zinc/42/83/80/821428380.db2.gz FBFUNWKFKFLZJB-INIZCTEOSA-N 1 0 386.458 4.271 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)NCC2(c3ccccc3)CCC2)CC1 ZINC000043574901 821429257 /nfs/dbraw/zinc/42/92/57/821429257.db2.gz KPBROWJMMAYRRS-UHFFFAOYSA-N 1 0 392.547 4.072 20 0 GIADRO CCCN(C(=O)c1cccs1)C1CC[NH+](Cc2c[nH]nc2C(C)(C)C)CC1 ZINC000180750101 821433114 /nfs/dbraw/zinc/43/31/14/821433114.db2.gz UBALWOMNXHTNIH-UHFFFAOYSA-N 1 0 388.581 4.286 20 0 GIADRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)Nc1nc(C(F)(F)F)cs1 ZINC000043635341 821433938 /nfs/dbraw/zinc/43/39/38/821433938.db2.gz SPJMSXGPSGLALT-ZDUSSCGKSA-N 1 0 384.427 4.121 20 0 GIADRO O=C(Nc1nc(C2CC2)cs1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000043648749 821435820 /nfs/dbraw/zinc/43/58/20/821435820.db2.gz QOETYGRLOJFVDP-UHFFFAOYSA-N 1 0 390.940 4.460 20 0 GIADRO COc1cc([C@@H](C)[NH2+]CCCC(=O)N2CCc3ccccc32)ccc1SC ZINC000180760559 821439354 /nfs/dbraw/zinc/43/93/54/821439354.db2.gz HSQUCLLPNJZZNG-MRXNPFEDSA-N 1 0 384.545 4.437 20 0 GIADRO COc1cc(C)c([C@H](C)[NH2+]CCCC(=O)N2CCc3ccccc32)cc1OC ZINC000180760872 821439466 /nfs/dbraw/zinc/43/94/66/821439466.db2.gz HUOABDXTWGXVIM-KRWDZBQOSA-N 1 0 382.504 4.032 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(NC(=O)C(C)C)cc1)CC(C)C ZINC000043674484 821439523 /nfs/dbraw/zinc/43/95/23/821439523.db2.gz NXFYHFKGKSMBGA-LJQANCHMSA-N 1 0 376.545 4.159 20 0 GIADRO Cn1cc([C@@H]([NH2+]C[C@@H](O)c2cc3ccccc3s2)c2cccc(F)c2)cn1 ZINC000180762071 821440708 /nfs/dbraw/zinc/44/07/08/821440708.db2.gz YREDHXKPNUFOTA-NQIIRXRSSA-N 1 0 381.476 4.187 20 0 GIADRO CCOc1ccc(C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)cc1OC ZINC000043730853 821448970 /nfs/dbraw/zinc/44/89/70/821448970.db2.gz YICLKIGTSMNXTA-UHFFFAOYSA-N 1 0 396.531 4.256 20 0 GIADRO CCOc1ccc([C@@H]([NH2+]C[C@@]2(CCO)CCOC2)c2ccccc2Cl)cc1 ZINC000180775564 821449095 /nfs/dbraw/zinc/44/90/95/821449095.db2.gz PPQRVFHHHXBOAR-FGZHOGPDSA-N 1 0 389.923 4.207 20 0 GIADRO O=c1cc(C[NH2+][C@H](Cc2ccc(Cl)cc2)c2ccccc2)nc2ccccn12 ZINC000180777177 821450963 /nfs/dbraw/zinc/45/09/63/821450963.db2.gz XGOFSGYXBWVDMB-OAQYLSRUSA-N 1 0 389.886 4.422 20 0 GIADRO Clc1ccccc1[C@H]([NH2+]CCc1cscn1)c1ccc2c(c1)OCCO2 ZINC000180790695 821459913 /nfs/dbraw/zinc/45/99/13/821459913.db2.gz QQFXWCVCHNUFRC-HXUWFJFHSA-N 1 0 386.904 4.489 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)c1ccccc1C(F)(F)F)[NH+]1CCCC1 ZINC000043809908 821462596 /nfs/dbraw/zinc/46/25/96/821462596.db2.gz WCNMBYLJRLIACN-GOSISDBHSA-N 1 0 392.421 4.281 20 0 GIADRO COc1ccc(NC(=O)C[C@H](C)[NH2+]CCCOc2cccc3cccnc32)cc1 ZINC000180804582 821467535 /nfs/dbraw/zinc/46/75/35/821467535.db2.gz GUQACKFLHGAZRJ-KRWDZBQOSA-N 1 0 393.487 4.019 20 0 GIADRO Cc1ccccc1NC(=O)C[C@H](C)[NH2+]CCCOc1cccc2cccnc21 ZINC000180803449 821467614 /nfs/dbraw/zinc/46/76/14/821467614.db2.gz IBKDFCHTPBRTOJ-SFHVURJKSA-N 1 0 377.488 4.319 20 0 GIADRO C[C@H]([NH2+]CCS(=O)(=O)C(C)(C)C)c1ccc(SCC(F)(F)F)cc1 ZINC000180806770 821469660 /nfs/dbraw/zinc/46/96/60/821469660.db2.gz RLYXYLYPRWJZPO-LBPRGKRZSA-N 1 0 383.501 4.205 20 0 GIADRO Cc1csc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C2CC2)n1 ZINC000180811327 821473003 /nfs/dbraw/zinc/47/30/03/821473003.db2.gz UQAJXKDCKGXVHT-NPYXIHBLSA-N 1 0 377.554 4.423 20 0 GIADRO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21 ZINC000180821933 821480739 /nfs/dbraw/zinc/48/07/39/821480739.db2.gz YWLBWJMQXOOVDN-SWLSCSKDSA-N 1 0 398.981 4.254 20 0 GIADRO CC(C)(C)OC(=O)NC1CCC([NH2+]Cc2nnc(-c3ccccc3)s2)CC1 ZINC000180838457 821488764 /nfs/dbraw/zinc/48/87/64/821488764.db2.gz YDSJMIQABPCTDF-UHFFFAOYSA-N 1 0 388.537 4.131 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)Nc1cccc(SC(F)F)c1 ZINC000180838126 821488844 /nfs/dbraw/zinc/48/88/44/821488844.db2.gz POCFFMVLAXSXQE-UHFFFAOYSA-N 1 0 392.475 4.434 20 0 GIADRO COC[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1)c1ccccc1 ZINC000180844604 821490615 /nfs/dbraw/zinc/49/06/15/821490615.db2.gz ZQQFHTYMJQCKPZ-HTAPYJJXSA-N 1 0 387.545 4.441 20 0 GIADRO C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000180847837 821492638 /nfs/dbraw/zinc/49/26/38/821492638.db2.gz MSFJYJDLBLZFGR-OAHLLOKOSA-N 1 0 398.507 4.284 20 0 GIADRO C[C@H]([NH2+]CCCc1nc(-c2ccncc2)cs1)c1ccc2c(c1)OCCO2 ZINC000180848127 821492850 /nfs/dbraw/zinc/49/28/50/821492850.db2.gz DZCUSVQRUQBICC-HNNXBMFYSA-N 1 0 381.501 4.260 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180855374 821497037 /nfs/dbraw/zinc/49/70/37/821497037.db2.gz JAZWUYGBSZNYDC-APWZRJJASA-N 1 0 395.551 4.264 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(NC(=O)c2ccco2)cc1)c1cccs1 ZINC000043977283 821497414 /nfs/dbraw/zinc/49/74/14/821497414.db2.gz YDQJSDCZLHBHJI-INIZCTEOSA-N 1 0 398.488 4.018 20 0 GIADRO COc1ccc([C@H](NC2CC[NH+](C)CC2)c2ccccc2)cc1Br ZINC000180859731 821498343 /nfs/dbraw/zinc/49/83/43/821498343.db2.gz TXAYJBBBYKIGHG-HXUWFJFHSA-N 1 0 389.337 4.231 20 0 GIADRO O=C(Nc1cc(Cl)ccc1OCC(F)(F)F)NC1CC[NH+](C2CC2)CC1 ZINC000043996908 821499765 /nfs/dbraw/zinc/49/97/65/821499765.db2.gz AOWKEZJVBZRSSD-UHFFFAOYSA-N 1 0 391.821 4.029 20 0 GIADRO COc1ccc2cc(CNC(=O)N[C@@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)ccc2c1 ZINC000180861917 821500119 /nfs/dbraw/zinc/50/01/19/821500119.db2.gz BEIYQFVJVFZXSC-UWJYYQICSA-N 1 0 395.547 4.301 20 0 GIADRO CCC(CC)n1nc(C)cc1C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000180867131 821503127 /nfs/dbraw/zinc/50/31/27/821503127.db2.gz UAFKKOIKGHZJBY-UHFFFAOYSA-N 1 0 392.931 4.399 20 0 GIADRO CC(C)(C)OC(=O)Nc1cccc(C[N@@H+]2CCC[C@H](c3nncn3C3CC3)C2)c1 ZINC000180871363 821505049 /nfs/dbraw/zinc/50/50/49/821505049.db2.gz YCVUQLQWAHPJIG-KRWDZBQOSA-N 1 0 397.523 4.340 20 0 GIADRO COc1cc(C[NH2+]Cc2ccc(OC(C)(C)C)nc2)c(SC)cc1OC ZINC000180884247 821512503 /nfs/dbraw/zinc/51/25/03/821512503.db2.gz IIHQICUFBWSDFW-UHFFFAOYSA-N 1 0 376.522 4.288 20 0 GIADRO COc1ccccc1[C@H](CNC(=S)N[C@H](C)c1ccccc1)[NH+]1CCCC1 ZINC000044055675 821513415 /nfs/dbraw/zinc/51/34/15/821513415.db2.gz HNLHVWIROUFZIL-XLIONFOSSA-N 1 0 383.561 4.057 20 0 GIADRO C[C@H]([NH2+]CCCO[C@@H]1CCCc2ccccc21)c1ccc(S(C)(=O)=O)cc1 ZINC000180889400 821516171 /nfs/dbraw/zinc/51/61/71/821516171.db2.gz ITZURJUECXNIOO-HTAPYJJXSA-N 1 0 387.545 4.225 20 0 GIADRO CC[NH+]1CCN([C@H](C)CNC(=S)Nc2c(C(C)C)cccc2C(C)C)CC1 ZINC000044080191 821517816 /nfs/dbraw/zinc/51/78/16/821517816.db2.gz CSEGLEMVRXPYGX-GOSISDBHSA-N 1 0 390.641 4.246 20 0 GIADRO CC(C)C(=O)Nc1cccc(NC(=O)NCc2ccccc2C[NH+]2CCCC2)c1 ZINC000044083983 821519555 /nfs/dbraw/zinc/51/95/55/821519555.db2.gz CIYLIQHXSMZANA-UHFFFAOYSA-N 1 0 394.519 4.199 20 0 GIADRO COc1ccccc1CNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000180894948 821521067 /nfs/dbraw/zinc/52/10/67/821521067.db2.gz AHJJNCOAMPXIBU-ROUUACIJSA-N 1 0 389.499 4.113 20 0 GIADRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(-c3ccncc3)cc2)cc1 ZINC000180898091 821522488 /nfs/dbraw/zinc/52/24/88/821522488.db2.gz VDOVHJHPIZPCRM-IRXDYDNUSA-N 1 0 375.472 4.435 20 0 GIADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)Nc1cccc(NC(=O)C2CC2)c1 ZINC000044103013 821523833 /nfs/dbraw/zinc/52/38/33/821523833.db2.gz AEYMIMADZISQDN-SFHVURJKSA-N 1 0 398.532 4.055 20 0 GIADRO C[C@H]([NH2+]CCc1nc(-c2cccc(Cl)c2)no1)c1ccc2c(c1)OCCCO2 ZINC000180901358 821525333 /nfs/dbraw/zinc/52/53/33/821525333.db2.gz OYQDRFFWJNHPPX-AWEZNQCLSA-N 1 0 399.878 4.445 20 0 GIADRO C[C@@H]([NH2+]CCc1nc(-c2cccc(Cl)c2)no1)c1ccc2c(c1)OCCO2 ZINC000180902288 821526091 /nfs/dbraw/zinc/52/60/91/821526091.db2.gz FOYCEECPOZFPJF-CYBMUJFWSA-N 1 0 385.851 4.055 20 0 GIADRO CCOc1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccc(-c3ccncc3)cc2)cc1 ZINC000180904197 821527232 /nfs/dbraw/zinc/52/72/32/821527232.db2.gz BOEYDMULSIFDOT-PGRDOPGGSA-N 1 0 392.499 4.238 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1nnc(C(C)(C)C)s1)c1ccc(-c2ccncc2)cc1 ZINC000180909028 821530250 /nfs/dbraw/zinc/53/02/50/821530250.db2.gz IEWDFMBABGJLQA-AWEZNQCLSA-N 1 0 395.532 4.187 20 0 GIADRO CCOc1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000180911357 821532510 /nfs/dbraw/zinc/53/25/10/821532510.db2.gz IIOPDUMDWLGYBD-KRWDZBQOSA-N 1 0 375.472 4.437 20 0 GIADRO COC(=O)COc1cccc(C[NH2+][C@H](C)c2cc(Cl)ccc2OC(F)F)c1 ZINC000180911444 821532547 /nfs/dbraw/zinc/53/25/47/821532547.db2.gz QYKVZWLMAZMALS-GFCCVEGCSA-N 1 0 399.821 4.344 20 0 GIADRO Cc1cc(Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)nc(-c2ccncc2)n1 ZINC000180912007 821532935 /nfs/dbraw/zinc/53/29/35/821532935.db2.gz RHQFTYQUWHBVSK-UHFFFAOYSA-N 1 0 388.519 4.121 20 0 GIADRO CC[C@@H]([NH2+][C@H]1CCN(Cc2ccc(OC)cc2)C1=O)c1ccc(Cl)s1 ZINC000180915990 821535528 /nfs/dbraw/zinc/53/55/28/821535528.db2.gz DZRDVSOYWZUAIV-CVEARBPZSA-N 1 0 378.925 4.252 20 0 GIADRO COc1ccc(CN2CC[C@H]([NH2+][C@@H]3C[C@H](C)Sc4sccc43)C2=O)cc1 ZINC000180921977 821539186 /nfs/dbraw/zinc/53/91/86/821539186.db2.gz MJTLGGUKYMXWFC-DOPJRALCSA-N 1 0 388.558 4.073 20 0 GIADRO COc1ccc([C@H](NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c2ccccc2)cc1 ZINC000180960293 821557301 /nfs/dbraw/zinc/55/73/01/821557301.db2.gz QKTVQMHAYLDSGA-CCDWMCETSA-N 1 0 394.559 4.142 20 0 GIADRO CCc1nc2ccccc2n1C1CC[NH+](CC(=O)N([C@H](C)C2CC2)C2CC2)CC1 ZINC000180965993 821560844 /nfs/dbraw/zinc/56/08/44/821560844.db2.gz XGIJCXHMMMSURX-QGZVFWFLSA-N 1 0 394.563 4.025 20 0 GIADRO COc1ccc(C(=O)N2CCC([NH2+][C@H](C)c3cc(C)cc(C)c3)CC2)cc1OC ZINC000180969704 821563071 /nfs/dbraw/zinc/56/30/71/821563071.db2.gz MBVRVUYUJFUQIJ-GOSISDBHSA-N 1 0 396.531 4.276 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)Nc1ccc2oc(C3CC3)nc2c1 ZINC000044309251 821565934 /nfs/dbraw/zinc/56/59/34/821565934.db2.gz CBHRIQPHEAEBDS-KRWDZBQOSA-N 1 0 380.448 4.257 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)CCCc3ccc(C)cc3)c(C)c2)CC1 ZINC000044313548 821568363 /nfs/dbraw/zinc/56/83/63/821568363.db2.gz WDAQJHKXPJOESI-UHFFFAOYSA-N 1 0 379.548 4.407 20 0 GIADRO Cn1cc([C@H]([NH2+]C[C@H](c2ccccc2)C(C)(C)CO)c2cccc(F)c2)cn1 ZINC000180981114 821571934 /nfs/dbraw/zinc/57/19/34/821571934.db2.gz LUCLQRYMRCQZEF-FGZHOGPDSA-N 1 0 381.495 4.041 20 0 GIADRO Cc1ccc(NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1-c1ncco1 ZINC000180984752 821574720 /nfs/dbraw/zinc/57/47/20/821574720.db2.gz VCIAEAKKPJTELG-UHFFFAOYSA-N 1 0 391.475 4.083 20 0 GIADRO CCn1c2ccccc2nc1[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000180990322 821578410 /nfs/dbraw/zinc/57/84/10/821578410.db2.gz YYUYMENFCUQQAB-HOTGVXAUSA-N 1 0 378.476 4.425 20 0 GIADRO O=C(Nc1cc(F)c(N2CCCCC2)c(F)c1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000180993066 821580316 /nfs/dbraw/zinc/58/03/16/821580316.db2.gz MTDDIJDDWHNFAG-QGZVFWFLSA-N 1 0 392.494 4.047 20 0 GIADRO O=C(c1ccc(Oc2ccccc2)nc1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000044397690 821583707 /nfs/dbraw/zinc/58/37/07/821583707.db2.gz CFJLYVKUFHOZSJ-UHFFFAOYSA-N 1 0 387.483 4.222 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CCc2nc(-c3ccccn3)cs2)cc1NC(C)=O ZINC000181009588 821590923 /nfs/dbraw/zinc/59/09/23/821590923.db2.gz XAHBBBPDQKKXBA-CQSZACIVSA-N 1 0 396.516 4.065 20 0 GIADRO C[C@@H]([NH2+]CCc1nc(-c2ccccn2)cs1)c1cccc(N2CCCC2=O)c1 ZINC000181009336 821591201 /nfs/dbraw/zinc/59/12/01/821591201.db2.gz KMJPNRMZSGWCKO-MRXNPFEDSA-N 1 0 392.528 4.225 20 0 GIADRO COc1ccc([C@@H](CNC(=O)c2ccc(COC(C)C)cc2)[NH+]2CCCC2)cc1 ZINC000044513304 821597800 /nfs/dbraw/zinc/59/78/00/821597800.db2.gz MOPIDCGDLCNAHQ-HSZRJFAPSA-N 1 0 396.531 4.187 20 0 GIADRO O=C(N[C@H]1CCCOc2cc(Cl)ccc21)N1CCC(C[NH+]2CCCC2)CC1 ZINC000181021979 821597791 /nfs/dbraw/zinc/59/77/91/821597791.db2.gz KESSKAVALPHQGZ-IBGZPJMESA-N 1 0 391.943 4.071 20 0 GIADRO Cc1cc([C@@H]([NH2+]CC2CCS(=O)(=O)CC2)c2ccccc2Cl)ccc1F ZINC000181024351 821598956 /nfs/dbraw/zinc/59/89/56/821598956.db2.gz VOPIHOCTUFQACU-HXUWFJFHSA-N 1 0 395.927 4.291 20 0 GIADRO Clc1cc(Br)cc(Cl)c1OCC[NH2+]Cc1cncs1 ZINC000181024451 821599306 /nfs/dbraw/zinc/59/93/06/821599306.db2.gz CCIDEHDBPYRGJC-UHFFFAOYSA-N 1 0 382.110 4.381 20 0 GIADRO C[C@@H](C[NH2+][C@H](c1cnn(C)c1)c1cccc(F)c1)c1nc(-c2ccccc2)no1 ZINC000181030619 821602774 /nfs/dbraw/zinc/60/27/74/821602774.db2.gz BXURIMYIXFYVEC-YWZLYKJASA-N 1 0 391.450 4.092 20 0 GIADRO COc1ccc2ccccc2c1-c1cc(CN2CC[C@@H]([NH+]3CCCC3)C2)on1 ZINC000181067712 821616865 /nfs/dbraw/zinc/61/68/65/821616865.db2.gz VUGXKWURGMQDBY-GOSISDBHSA-N 1 0 377.488 4.174 20 0 GIADRO Cc1ccoc1C(=O)NCCC[NH2+][C@H](C)c1ccc(SCC(F)F)cc1 ZINC000181075953 821620415 /nfs/dbraw/zinc/62/04/15/821620415.db2.gz CIRYJARWHHCBGO-CQSZACIVSA-N 1 0 382.476 4.416 20 0 GIADRO CC[C@H]([NH2+][C@H](C)CC(=O)Nc1cc(OC)ccc1OC)c1cc(F)ccc1F ZINC000181102657 821633720 /nfs/dbraw/zinc/63/37/20/821633720.db2.gz ULMMPGZRNOMDTM-ACJLOTCBSA-N 1 0 392.446 4.440 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)c1c(Cl)cccc1Cl)c1cccc(N2CCOC2=O)c1 ZINC000181107926 821637021 /nfs/dbraw/zinc/63/70/21/821637021.db2.gz VOLNIRIPOONDPG-SJCJKPOMSA-N 1 0 395.286 4.334 20 0 GIADRO Cc1cc2ncc([C@@H](C)[NH2+]C[C@H](O)c3c(Cl)cccc3Cl)c(C)n2n1 ZINC000181107780 821637162 /nfs/dbraw/zinc/63/71/62/821637162.db2.gz YIYRPQRXPQESGD-BZNIZROVSA-N 1 0 379.291 4.037 20 0 GIADRO Cc1cc2ncc([C@H](C)[NH2+]C[C@H](O)c3c(Cl)cccc3Cl)c(C)n2n1 ZINC000181107801 821637335 /nfs/dbraw/zinc/63/73/35/821637335.db2.gz YIYRPQRXPQESGD-ZBEGNZNMSA-N 1 0 379.291 4.037 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC000181119350 821644874 /nfs/dbraw/zinc/64/48/74/821644874.db2.gz CCGLQXDZGFTJGW-HNNXBMFYSA-N 1 0 389.406 4.052 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCC1)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC000181123424 821647742 /nfs/dbraw/zinc/64/77/42/821647742.db2.gz FGQVPMIRMLVDTG-UHFFFAOYSA-N 1 0 399.445 4.418 20 0 GIADRO CCCOc1ccc([C@@H](C)[NH2+]C2CCC(S(C)(=O)=O)CC2)c(OCCC)c1 ZINC000181124914 821648418 /nfs/dbraw/zinc/64/84/18/821648418.db2.gz NUQDBBZMOXLTEF-LRYGQEGESA-N 1 0 397.581 4.271 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]CCCOC1CCOCC1 ZINC000181129870 821650985 /nfs/dbraw/zinc/65/09/85/821650985.db2.gz JENULBNYYOZNCI-AWEZNQCLSA-N 1 0 378.513 4.494 20 0 GIADRO C[C@@H]([NH2+]C[C@@H]1CN(c2ccccc2)C(=O)O1)c1ccc(Br)cc1 ZINC000181132071 821652951 /nfs/dbraw/zinc/65/29/51/821652951.db2.gz BVAVQFBYJKQWFW-CXAGYDPISA-N 1 0 375.266 4.125 20 0 GIADRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CCCOC3CCOCC3)s2)cc1 ZINC000181133042 821653783 /nfs/dbraw/zinc/65/37/83/821653783.db2.gz PZTILGIARGISLH-OAHLLOKOSA-N 1 0 390.549 4.363 20 0 GIADRO COc1cccc(C[NH2+][C@@H](Cc2ccccc2C)c2ccc(OC)c(OC)c2)n1 ZINC000181140449 821658947 /nfs/dbraw/zinc/65/89/47/821658947.db2.gz MEWFEZQBLLDYMB-NRFANRHFSA-N 1 0 392.499 4.489 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(OC(F)F)cc1)C(=O)Nc1ccc(N(C)C)cc1 ZINC000044802797 821665178 /nfs/dbraw/zinc/66/51/78/821665178.db2.gz WNZNFVHRHSRNTB-UONOGXRCSA-N 1 0 377.435 4.032 20 0 GIADRO CCOc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(OC(F)F)cc2)cc1 ZINC000044803012 821665265 /nfs/dbraw/zinc/66/52/65/821665265.db2.gz OBIXOAFIXUGYEJ-ZIAGYGMSSA-N 1 0 378.419 4.365 20 0 GIADRO CSC1(C[NH2+][C@@H]2CCCOc3cc(Br)ccc32)CCOCC1 ZINC000181158927 821670674 /nfs/dbraw/zinc/67/06/74/821670674.db2.gz LGIREGRQFSADLE-OAHLLOKOSA-N 1 0 386.355 4.165 20 0 GIADRO C[C@H](C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1)Oc1cccc(Cl)c1 ZINC000181174079 821678548 /nfs/dbraw/zinc/67/85/48/821678548.db2.gz ZDDYAGJGZQJOGE-OLZOCXBDSA-N 1 0 385.888 4.001 20 0 GIADRO COC(=O)c1cc2cc(C[NH2+][C@@H](C[C@H]3CCOC3)c3ccccc3)ccc2o1 ZINC000181181698 821681614 /nfs/dbraw/zinc/68/16/14/821681614.db2.gz QAYCJHCYHQJVKR-XLIONFOSSA-N 1 0 379.456 4.477 20 0 GIADRO O=C(NCCc1csc2ccccc12)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000181185237 821684090 /nfs/dbraw/zinc/68/40/90/821684090.db2.gz KHPQLMAOFICURW-UHFFFAOYSA-N 1 0 394.544 4.055 20 0 GIADRO CCN(CC)[C@@H](C[NH2+][C@H](C)c1cnc2cc(C)nn2c1C)c1cccc(OC)c1 ZINC000181192255 821687743 /nfs/dbraw/zinc/68/77/43/821687743.db2.gz FKWNEDQFGNHIRH-VGSWGCGISA-N 1 0 395.551 4.088 20 0 GIADRO CC(C)C[C@H](C)[NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000181194547 821689924 /nfs/dbraw/zinc/68/99/24/821689924.db2.gz UFXXXTRXQQKPSN-VBKZILBWSA-N 1 0 381.488 4.482 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H](OC)c2cccc(Cl)c2)cc1 ZINC000181195733 821690453 /nfs/dbraw/zinc/69/04/53/821690453.db2.gz LURHEWRDBCJWLP-KUHUBIRLSA-N 1 0 396.940 4.140 20 0 GIADRO CCCCOc1ccc(C[NH2+][C@H](C)c2cnc3cc(C)nn3c2C)cc1OC ZINC000181201751 821693342 /nfs/dbraw/zinc/69/33/42/821693342.db2.gz VYIGHIKRMDZUNF-MRXNPFEDSA-N 1 0 382.508 4.384 20 0 GIADRO CC[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(OC)cc1 ZINC000181215343 821702004 /nfs/dbraw/zinc/70/20/04/821702004.db2.gz DGGHTKWMWPSLJN-AAIMPIBUSA-N 1 0 380.532 4.358 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)CCc2ccc3[nH]ccc3c2)CC[N@@H+]1Cc1ccccc1 ZINC000181215544 821702139 /nfs/dbraw/zinc/70/21/39/821702139.db2.gz IOHYJGNOFQGFSS-XMSQKQJNSA-N 1 0 375.516 4.270 20 0 GIADRO CN(Cc1ccc(Cl)s1)C(=O)C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000181232527 821709380 /nfs/dbraw/zinc/70/93/80/821709380.db2.gz MWDHNCYZUMRXNT-QAPCUYQASA-N 1 0 392.952 4.117 20 0 GIADRO CN(Cc1ccc(Cl)s1)C(=O)C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000181232546 821709626 /nfs/dbraw/zinc/70/96/26/821709626.db2.gz MWDHNCYZUMRXNT-CRAIPNDOSA-N 1 0 392.952 4.117 20 0 GIADRO Cc1c(N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cnn1-c1ccccc1F ZINC000181241242 821715092 /nfs/dbraw/zinc/71/50/92/821715092.db2.gz GMIGGACONWEBLO-OXJNMPFZSA-N 1 0 379.483 4.037 20 0 GIADRO Cc1cc(C)n(-c2ccc(C[NH2+][C@H](C)c3ccc(N4CCOC4=O)cc3)cc2)n1 ZINC000181276168 821729346 /nfs/dbraw/zinc/72/93/46/821729346.db2.gz HCUFCGSILAQLNL-GOSISDBHSA-N 1 0 390.487 4.297 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Cl)cn1)c1ccc(-c2cccnc2)cc1 ZINC000181276787 821730160 /nfs/dbraw/zinc/73/01/60/821730160.db2.gz GFCMEBAFFSAGQF-CABCVRRESA-N 1 0 380.879 4.475 20 0 GIADRO C[C@H]([NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1)c1ccc(-c2cccnc2)cc1 ZINC000181284632 821735102 /nfs/dbraw/zinc/73/51/02/821735102.db2.gz JYKKEOFRHWSHSA-HNNXBMFYSA-N 1 0 390.874 4.261 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1)C(=O)NCCc1cccs1 ZINC000181294413 821739933 /nfs/dbraw/zinc/73/99/33/821739933.db2.gz ATQDHSDMEQLXIN-IRXDYDNUSA-N 1 0 379.529 4.208 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc2c(c1)OCO2)c1ccc(-c2cccnc2)cc1 ZINC000181293753 821740033 /nfs/dbraw/zinc/74/00/33/821740033.db2.gz HCURCMDIRIUPDI-CVEARBPZSA-N 1 0 389.455 4.155 20 0 GIADRO C[C@H]([NH2+]CCOc1ccc(F)cc1Cl)c1cccc(N2CCOC2=O)c1 ZINC000181301282 821743355 /nfs/dbraw/zinc/74/33/55/821743355.db2.gz QKGYBNGVWYNGDS-ZDUSSCGKSA-N 1 0 378.831 4.165 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@H](C)c2c(C)nn(CC(F)(F)F)c2C)c(OC)c1 ZINC000181304050 821744524 /nfs/dbraw/zinc/74/45/24/821744524.db2.gz FRJMDCUEIUHEMX-VXGBXAGGSA-N 1 0 385.430 4.491 20 0 GIADRO CC(C)c1ccc(NC(=O)C[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)cc1 ZINC000181304399 821745101 /nfs/dbraw/zinc/74/51/01/821745101.db2.gz TUZZPTHUKQKZEY-MRXNPFEDSA-N 1 0 381.476 4.056 20 0 GIADRO c1coc(-c2cc(C[N@@H+]3CCC[C@@H](c4nc(-c5ccccc5)n[nH]4)C3)no2)c1 ZINC000181309155 821748275 /nfs/dbraw/zinc/74/82/75/821748275.db2.gz NWEBLUIIGDPPAH-MRXNPFEDSA-N 1 0 375.432 4.099 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1)C(=O)NCCc1ccc(F)cc1 ZINC000181313521 821752719 /nfs/dbraw/zinc/75/27/19/821752719.db2.gz ZEOGUAURXSNWQQ-ZWKOTPCHSA-N 1 0 391.490 4.286 20 0 GIADRO Cc1cccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)c1C ZINC000181338768 821769825 /nfs/dbraw/zinc/76/98/25/821769825.db2.gz NMZACQMKGJGQRY-QZTJIDSGSA-N 1 0 379.504 4.108 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+]CCOc2ncc(Cl)cc2Cl)s1 ZINC000181341872 821773061 /nfs/dbraw/zinc/77/30/61/821773061.db2.gz LHUBTALBHITNDG-SNVBAGLBSA-N 1 0 390.336 4.072 20 0 GIADRO COc1cc(NC(=O)C[NH2+][C@@H](CC2CCC2)c2ccccc2)cc(OC)c1OC ZINC000181346584 821776367 /nfs/dbraw/zinc/77/63/67/821776367.db2.gz QOFZLKXPAMEWEJ-IBGZPJMESA-N 1 0 398.503 4.172 20 0 GIADRO CCC(CC)C[NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000181347910 821777662 /nfs/dbraw/zinc/77/76/62/821777662.db2.gz RCDAKOPERAMXBT-HXUWFJFHSA-N 1 0 381.488 4.484 20 0 GIADRO Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000181349093 821778856 /nfs/dbraw/zinc/77/88/56/821778856.db2.gz XSNHPXSPPIPPOU-HNNXBMFYSA-N 1 0 385.895 4.065 20 0 GIADRO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)c(C)c1 ZINC000181354628 821782350 /nfs/dbraw/zinc/78/23/50/821782350.db2.gz YIUKCMYJQGMBHF-QZTJIDSGSA-N 1 0 379.504 4.108 20 0 GIADRO Cc1cc(C)n(-c2ccc(C[NH2+][C@@H](C)c3ccc(N4CCCC4=O)cc3)cc2)n1 ZINC000181357757 821784627 /nfs/dbraw/zinc/78/46/27/821784627.db2.gz XMVZVIZZEKQTIF-IBGZPJMESA-N 1 0 388.515 4.467 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1)C(=O)Nc1ccccc1Cl ZINC000181361684 821787971 /nfs/dbraw/zinc/78/79/71/821787971.db2.gz NRWHHVXGBMGZID-HUUCEWRRSA-N 1 0 385.895 4.145 20 0 GIADRO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]Cc1nc(C2CC2)cs1 ZINC000181365570 821789917 /nfs/dbraw/zinc/78/99/17/821789917.db2.gz OXYRGSKVMINDNM-ZDUSSCGKSA-N 1 0 377.941 4.201 20 0 GIADRO CSc1cccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)c1 ZINC000181367598 821790879 /nfs/dbraw/zinc/79/08/79/821790879.db2.gz IMWGXELVSKXOSL-JKSUJKDBSA-N 1 0 397.544 4.213 20 0 GIADRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1F ZINC000181369756 821792328 /nfs/dbraw/zinc/79/23/28/821792328.db2.gz VWHCRKFWJOLXKA-VXGBXAGGSA-N 1 0 379.819 4.374 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+][C@H](c2ccc3c(c2)OCCO3)C(C)C)s1 ZINC000181371967 821793201 /nfs/dbraw/zinc/79/32/01/821793201.db2.gz TYGVTAZMRXXSRI-YWZLYKJASA-N 1 0 390.549 4.460 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+]CCc2ccc(OC(F)(F)F)cc2)s1 ZINC000181383241 821797923 /nfs/dbraw/zinc/79/79/23/821797923.db2.gz YGWNOFRPWWTBLG-GFCCVEGCSA-N 1 0 388.455 4.432 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+]CC2(c3ccccc3C)CCOCC2)s1 ZINC000181389877 821801605 /nfs/dbraw/zinc/80/16/05/821801605.db2.gz YFPFOBDTTGTYNY-QGZVFWFLSA-N 1 0 388.577 4.348 20 0 GIADRO C[C@H]([NH2+][C@H](CO)c1cccc(Br)c1)c1cnc2ccsc2c1 ZINC000181393838 821804445 /nfs/dbraw/zinc/80/44/45/821804445.db2.gz GVHVPCXEPNLZPH-MEDUHNTESA-N 1 0 377.307 4.443 20 0 GIADRO Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000181393879 821804488 /nfs/dbraw/zinc/80/44/88/821804488.db2.gz SBMRUNCTEYUSGJ-UHFFFAOYSA-N 1 0 393.503 4.389 20 0 GIADRO Cc1ccc(OC(F)F)c([C@H](C)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000181409573 821810803 /nfs/dbraw/zinc/81/08/03/821810803.db2.gz IEEIZKPNJVHMAA-IPELMVKDSA-N 1 0 382.495 4.015 20 0 GIADRO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)c(C)c1 ZINC000181409936 821810849 /nfs/dbraw/zinc/81/08/49/821810849.db2.gz UOCZXGLUAICKAO-MSOLQXFVSA-N 1 0 379.504 4.108 20 0 GIADRO C[C@H](NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cc(Br)ccc1F ZINC000181413187 821812500 /nfs/dbraw/zinc/81/25/00/821812500.db2.gz CXVBCDAOCIKDJO-AGRHKRQWSA-N 1 0 399.348 4.007 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)s1 ZINC000181417485 821815159 /nfs/dbraw/zinc/81/51/59/821815159.db2.gz CRJXYKJZCVLIBU-MEBBXXQBSA-N 1 0 389.348 4.331 20 0 GIADRO CC[NH+]1CCC(n2nccc2NC(=O)c2ccnc(SC(C)(C)C)c2)CC1 ZINC000181421600 821817661 /nfs/dbraw/zinc/81/76/61/821817661.db2.gz ZDJGOAICCWAJSQ-UHFFFAOYSA-N 1 0 387.553 4.078 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N[C@@H](c1nccs1)c1ccccc1)c1cccc(Cl)c1 ZINC000181422425 821818601 /nfs/dbraw/zinc/81/86/01/821818601.db2.gz GDZUPTIENHZTGG-AUUYWEPGSA-N 1 0 385.920 4.353 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+]CCc2nc(C(F)(F)F)cs2)s1 ZINC000181428881 821822258 /nfs/dbraw/zinc/82/22/58/821822258.db2.gz MJAAXFAYWUFIFR-VIFPVBQESA-N 1 0 379.473 4.009 20 0 GIADRO CC(C)OC(=O)c1ccc(C[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)cc1 ZINC000181434721 821825716 /nfs/dbraw/zinc/82/57/16/821825716.db2.gz QLUXKAYVPOLBQF-KRWDZBQOSA-N 1 0 380.488 4.229 20 0 GIADRO CSc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)cc1 ZINC000181438018 821827072 /nfs/dbraw/zinc/82/70/72/821827072.db2.gz KNMWPFFAKOBHMD-JKSUJKDBSA-N 1 0 397.544 4.213 20 0 GIADRO Cc1nn(C)c(C)c1CC[NH2+][C@@H](C)c1cc2cc(Br)ccc2o1 ZINC000181440403 821827469 /nfs/dbraw/zinc/82/74/69/821827469.db2.gz JRRBSJBFUJPBHY-LBPRGKRZSA-N 1 0 376.298 4.439 20 0 GIADRO Brc1cccc2c1OCCC[C@@H]2[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000181446181 821829672 /nfs/dbraw/zinc/82/96/72/821829672.db2.gz VTEMUWPFQVRVCX-RPVQJOFSSA-N 1 0 398.366 4.307 20 0 GIADRO Brc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCO[C@]3(CCSC3)C1)CCCO2 ZINC000181447203 821830089 /nfs/dbraw/zinc/83/00/89/821830089.db2.gz DNHSCXHYXAYSQQ-QGPMSJSTSA-N 1 0 398.366 4.307 20 0 GIADRO Cc1oc(-c2ccsc2)nc1CC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181446703 821830170 /nfs/dbraw/zinc/83/01/70/821830170.db2.gz PGQQICNBEAOSRW-HOCLYGCPSA-N 1 0 387.549 4.023 20 0 GIADRO Fc1ccc(Br)c2c1CC[C@@H]2[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000181451663 821831929 /nfs/dbraw/zinc/83/19/29/821831929.db2.gz HWHBXOMQEMHIDS-XQAQDONZSA-N 1 0 386.330 4.220 20 0 GIADRO Cc1cccc([C@H](C)[NH2+]Cc2ccc(Br)cc2N2CCOCC2)c1 ZINC000181459312 821836064 /nfs/dbraw/zinc/83/60/64/821836064.db2.gz UFQWBNCNPHOGHQ-INIZCTEOSA-N 1 0 389.337 4.445 20 0 GIADRO COc1ccc2ccccc2c1-c1cc(C[N@H+](C)C[C@@H]2CCCC[C@@H]2O)on1 ZINC000181468136 821839915 /nfs/dbraw/zinc/83/99/15/821839915.db2.gz DGHAUEIZRIUKIT-UWJYYQICSA-N 1 0 380.488 4.486 20 0 GIADRO C[C@@H](NC(=O)CCOc1ccc(F)cc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181469185 821840538 /nfs/dbraw/zinc/84/05/38/821840538.db2.gz FAOCBDPLRCROFC-CABCVRRESA-N 1 0 382.907 4.017 20 0 GIADRO Cc1ccc(Oc2ccccc2NC(=O)N2CCC([N@H+](C)CCCO)CC2)cc1 ZINC000181473222 821841806 /nfs/dbraw/zinc/84/18/06/821841806.db2.gz LBUJLEMDWQXNHD-UHFFFAOYSA-N 1 0 397.519 4.098 20 0 GIADRO COc1cc(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)ccc1OCC(C)C ZINC000181473941 821842394 /nfs/dbraw/zinc/84/23/94/821842394.db2.gz DGKCNVYLNFINCV-PKOBYXMFSA-N 1 0 388.552 4.113 20 0 GIADRO Cc1nc(CCC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)oc1-c1ccccc1 ZINC000181487556 821848382 /nfs/dbraw/zinc/84/83/82/821848382.db2.gz GSLPZUODMBFCKG-XLIONFOSSA-N 1 0 395.547 4.352 20 0 GIADRO CCOc1ccccc1OCCCC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181508302 821859579 /nfs/dbraw/zinc/85/95/79/821859579.db2.gz ZJSLQXADZWCYCI-OALUTQOASA-N 1 0 388.552 4.014 20 0 GIADRO COc1ccc([C@H](C)[NH2+]Cc2ccc(-n3cccn3)cc2)c(Br)c1 ZINC000181509913 821860369 /nfs/dbraw/zinc/86/03/69/821860369.db2.gz MGQRMGUYPISZGF-AWEZNQCLSA-N 1 0 386.293 4.494 20 0 GIADRO C[C@H](NC(=O)CCc1ncc(-c2ccccc2)o1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181518703 821864429 /nfs/dbraw/zinc/86/44/29/821864429.db2.gz BERAWTSMSBJNPP-PKOBYXMFSA-N 1 0 381.520 4.043 20 0 GIADRO Cn1cc(C[NH+]2CCC(OCc3ccc(F)cc3)CC2)c(-c2cccs2)n1 ZINC000181531762 821869844 /nfs/dbraw/zinc/86/98/44/821869844.db2.gz YQIVQYSXWDELII-UHFFFAOYSA-N 1 0 385.508 4.469 20 0 GIADRO COc1cc(NC(=O)C[NH2+][C@@H](C)[C@@H](C)c2ccccc2)c(OC)cc1Cl ZINC000181536786 821872064 /nfs/dbraw/zinc/87/20/64/821872064.db2.gz XYOUJXMNYNWOGY-KGLIPLIRSA-N 1 0 376.884 4.078 20 0 GIADRO C[C@H](NC(=O)C[C@@H](c1ccccc1)C(F)(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181537891 821872652 /nfs/dbraw/zinc/87/26/52/821872652.db2.gz FGAJTLDBPIASBU-WDYCEAGBSA-N 1 0 382.470 4.492 20 0 GIADRO CC(C)n1cc(Br)cc1C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181538716 821873220 /nfs/dbraw/zinc/87/32/20/821873220.db2.gz JXUBWYWHZYMFKY-CABCVRRESA-N 1 0 396.373 4.214 20 0 GIADRO Cc1cc(C(=O)CCC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(C)s1 ZINC000181543430 821874596 /nfs/dbraw/zinc/87/45/96/821874596.db2.gz RCVCYIVFTLEJEH-RDJZCZTQSA-N 1 0 376.566 4.097 20 0 GIADRO Cc1cc(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c2c(n1)onc2C(C)C ZINC000181545340 821875180 /nfs/dbraw/zinc/87/51/80/821875180.db2.gz YMFIVXCPUQUSRY-HOTGVXAUSA-N 1 0 384.524 4.037 20 0 GIADRO C[C@H]([NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1)[C@@H](O)Cc1ccccc1 ZINC000181552369 821878672 /nfs/dbraw/zinc/87/86/72/821878672.db2.gz URNFEOWCARHSSK-AOMKIAJQSA-N 1 0 390.930 4.025 20 0 GIADRO C[C@H]([NH2+]C[C@@H](c1ccccc1)C(C)(C)CO)c1ccc(N2CCOC2=O)cc1 ZINC000181554021 821879035 /nfs/dbraw/zinc/87/90/35/821879035.db2.gz PTSAYJNOLRDGMO-UWJYYQICSA-N 1 0 382.504 4.096 20 0 GIADRO CCc1c2ccccc2oc1[C@@H](C)[NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000181556017 821879551 /nfs/dbraw/zinc/87/95/51/821879551.db2.gz AYBKSHJLRZFXPP-OAHLLOKOSA-N 1 0 386.517 4.096 20 0 GIADRO O=C(CCN1CCO[C@H](Cc2ccccc2)C1)Nc1c(Cl)cccc1Cl ZINC000181564913 821882495 /nfs/dbraw/zinc/88/24/95/821882495.db2.gz IZPBSCFEODBFAL-MRXNPFEDSA-N 1 0 393.314 4.266 20 0 GIADRO CC(C)S(=O)(=O)CCC[NH2+][C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000181589900 821892772 /nfs/dbraw/zinc/89/27/72/821892772.db2.gz JQFYTQJAZSYVRO-HXUWFJFHSA-N 1 0 381.488 4.052 20 0 GIADRO COc1cc(C)c([C@H](C)[NH2+]C2CCN([C@H](C)c3ccncc3)CC2)cc1OC ZINC000181593734 821894500 /nfs/dbraw/zinc/89/45/00/821894500.db2.gz HCCNQYKUMHQXGB-ZWKOTPCHSA-N 1 0 383.536 4.283 20 0 GIADRO COc1ccc([C@H](C)[NH2+]Cc2ccc(COC3CCOCC3)cc2)cc1OC ZINC000181608295 821900902 /nfs/dbraw/zinc/90/09/02/821900902.db2.gz LMEZQFCNUIHTDK-KRWDZBQOSA-N 1 0 385.504 4.250 20 0 GIADRO COc1ccc(OC)c([C@@H](C)[NH2+]Cc2ccc(COC3CCOCC3)cc2)c1 ZINC000181612070 821902987 /nfs/dbraw/zinc/90/29/87/821902987.db2.gz FCMANMLHDBSSMC-QGZVFWFLSA-N 1 0 385.504 4.250 20 0 GIADRO COc1ccc(OC)c([C@H](C)[NH2+]Cc2ccc(COC3CCOCC3)cc2)c1 ZINC000181612051 821903259 /nfs/dbraw/zinc/90/32/59/821903259.db2.gz FCMANMLHDBSSMC-KRWDZBQOSA-N 1 0 385.504 4.250 20 0 GIADRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)Nc1cccc(NC(=O)C2CCCCC2)c1 ZINC000181620236 821906754 /nfs/dbraw/zinc/90/67/54/821906754.db2.gz LKAGAKHCKDWFNW-HXUWFJFHSA-N 1 0 386.540 4.009 20 0 GIADRO Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000181636933 821916276 /nfs/dbraw/zinc/91/62/76/821916276.db2.gz GVXRETCBBKQWDL-SFHVURJKSA-N 1 0 390.528 4.146 20 0 GIADRO C[N@H+](CCCOc1cccc(Cl)c1)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000181650167 821922878 /nfs/dbraw/zinc/92/28/78/821922878.db2.gz NLCKNADSBLMKDK-UHFFFAOYSA-N 1 0 380.960 4.325 20 0 GIADRO CCOc1ccc([C@H]([NH2+]C2CCN(C(C)=O)CC2)c2cccc(Cl)c2)cc1 ZINC000181651183 821923513 /nfs/dbraw/zinc/92/35/13/821923513.db2.gz KZKUVOOZAHJTQD-QFIPXVFZSA-N 1 0 386.923 4.429 20 0 GIADRO COc1ccc(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1-c1ccccn1 ZINC000181657290 821926631 /nfs/dbraw/zinc/92/66/31/821926631.db2.gz AFBNVHGMWJZONT-MJGOQNOKSA-N 1 0 393.531 4.140 20 0 GIADRO COC[C@H]([NH2+]CC(=O)N1CCCCC[C@@H]1c1ccc(OC)cc1)c1ccccc1 ZINC000181658492 821927426 /nfs/dbraw/zinc/92/74/26/821927426.db2.gz OUVCFXTWTCVFNA-XZOQPEGZSA-N 1 0 396.531 4.116 20 0 GIADRO C[C@H](NC(=O)c1cccc(Oc2ccncc2)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181663251 821930370 /nfs/dbraw/zinc/93/03/70/821930370.db2.gz YQCDAAKHJFPCDO-HKUYNNGSSA-N 1 0 379.504 4.257 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CCCc2nc(C(C)C)no2)c(Br)c1 ZINC000181666241 821932569 /nfs/dbraw/zinc/93/25/69/821932569.db2.gz JFPJDEOGVTXAMQ-GFCCVEGCSA-N 1 0 382.302 4.248 20 0 GIADRO CC[C@H](CSc1ccccc1)[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(OC)c1 ZINC000181667446 821934131 /nfs/dbraw/zinc/93/41/31/821934131.db2.gz PMWVHAIKAFAUCV-DOTOQJQBSA-N 1 0 393.574 4.320 20 0 GIADRO CCCC(=O)NC[C@H]1CCC[N@H+](CCCc2ccccc2Br)C1 ZINC000181682779 821942379 /nfs/dbraw/zinc/94/23/79/821942379.db2.gz BSNHJRSJZRVVNT-MRXNPFEDSA-N 1 0 381.358 4.010 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[NH2+][C@H](CC(C)C)c2ccccc2OC)c1 ZINC000181705648 821951785 /nfs/dbraw/zinc/95/17/85/821951785.db2.gz NFQKYKBCAGEPIT-GOSISDBHSA-N 1 0 386.492 4.028 20 0 GIADRO CCOc1cc(C[NH2+][C@@H](CC)c2ccc(C)cc2)nc2nc(C(F)(F)F)nn21 ZINC000181710634 821954297 /nfs/dbraw/zinc/95/42/97/821954297.db2.gz GBLOFHWMWPUHEC-HNNXBMFYSA-N 1 0 393.413 4.091 20 0 GIADRO C[C@H]([NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1)c1cccc(N2CCOC2=O)c1 ZINC000181710458 821954470 /nfs/dbraw/zinc/95/44/70/821954470.db2.gz KBUPSXIIMDYLMT-SPEDKVCISA-N 1 0 380.488 4.462 20 0 GIADRO CC(=O)N1CCC(C[NH2+][C@H](C)c2cc3cc(Br)ccc3o2)CC1 ZINC000181711616 821955785 /nfs/dbraw/zinc/95/57/85/821955785.db2.gz WOSHKLGOBMZFLZ-GFCCVEGCSA-N 1 0 379.298 4.104 20 0 GIADRO Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)N(CC[NH+](C)C)C(C)C ZINC000181716757 821958442 /nfs/dbraw/zinc/95/84/42/821958442.db2.gz PCTKGGSZMFFTLK-UHFFFAOYSA-N 1 0 382.508 4.051 20 0 GIADRO Cc1ccc(C)c([C@@H]2C[N@H+](CC3CCN(C(=O)C(C)(C)C)CC3)[C@H](C)CO2)c1 ZINC000181719665 821960066 /nfs/dbraw/zinc/96/00/66/821960066.db2.gz GIUZCCWGJBGGAE-KNQAVFIVSA-N 1 0 386.580 4.350 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(N(C)C)n1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000181731888 821966072 /nfs/dbraw/zinc/96/60/72/821966072.db2.gz GSKGEDOCKDYKRM-APWZRJJASA-N 1 0 387.499 4.085 20 0 GIADRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]Cc3cccc(N(C)C)n3)s2)cc1 ZINC000181736059 821968742 /nfs/dbraw/zinc/96/87/42/821968742.db2.gz CJLXFSKTTBHYJT-CQSZACIVSA-N 1 0 382.533 4.439 20 0 GIADRO Cc1c([C@@H](C)[NH2+][C@H](C)c2ccc(-n3ccnn3)cc2)cnn1-c1ccc(F)cc1 ZINC000181745822 821973725 /nfs/dbraw/zinc/97/37/25/821973725.db2.gz CWQZRKOYWJFKTH-HZPDHXFCSA-N 1 0 390.466 4.312 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@H](C)c2ccc(-n3ccnn3)cc2)cnn1-c1ccc(F)cc1 ZINC000181745841 821973861 /nfs/dbraw/zinc/97/38/61/821973861.db2.gz CWQZRKOYWJFKTH-CVEARBPZSA-N 1 0 390.466 4.312 20 0 GIADRO Cc1c([C@@H](C)[NH2+][C@@H](C)c2ccc(-n3ccnn3)cc2)cnn1-c1ccc(F)cc1 ZINC000181745788 821973974 /nfs/dbraw/zinc/97/39/74/821973974.db2.gz CWQZRKOYWJFKTH-JKSUJKDBSA-N 1 0 390.466 4.312 20 0 GIADRO CCN(CC)C(=O)c1cccc(NC(=O)C[NH2+][C@H](C)c2cc3ccccc3o2)c1 ZINC000181775636 821987772 /nfs/dbraw/zinc/98/77/72/821987772.db2.gz IGMKCBMVLAKBPV-MRXNPFEDSA-N 1 0 393.487 4.204 20 0 GIADRO CC(C)(C)C[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C(F)(F)F ZINC000181800054 821997470 /nfs/dbraw/zinc/99/74/70/821997470.db2.gz BGGVTIOQXNEDTB-BMFZPTHFSA-N 1 0 375.479 4.012 20 0 GIADRO CC(C)(C[NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1)c1ccccc1 ZINC000181806383 822000850 /nfs/dbraw/zinc/00/08/50/822000850.db2.gz VNXJWCFNLPFVRV-UHFFFAOYSA-N 1 0 388.515 4.471 20 0 GIADRO Clc1cccc(-c2noc(CC[NH2+]Cc3c(C4CC4)nc4sccn34)n2)c1 ZINC000181813159 822003690 /nfs/dbraw/zinc/00/36/90/822003690.db2.gz BJVFAUCTLWPOQS-UHFFFAOYSA-N 1 0 399.907 4.309 20 0 GIADRO C[C@H]([NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1)c1cccc(OC(F)(F)F)c1 ZINC000181818852 822005126 /nfs/dbraw/zinc/00/51/26/822005126.db2.gz UHSYONPOQAWEDW-DOTOQJQBSA-N 1 0 392.421 4.285 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@H](C)Cc2c(C)nn(C)c2C)c(Br)c1 ZINC000181818730 822005154 /nfs/dbraw/zinc/00/51/54/822005154.db2.gz RYSFIYGUYYIYBE-NEPJUHHUSA-N 1 0 380.330 4.090 20 0 GIADRO Cn1cc(C[NH2+]Cc2ccccc2OCc2cccnc2)c(-c2ccccc2)n1 ZINC000181823878 822007284 /nfs/dbraw/zinc/00/72/84/822007284.db2.gz FMGIYJQYJSKUQM-UHFFFAOYSA-N 1 0 384.483 4.351 20 0 GIADRO CCC[C@@H]([NH2+]Cc1cc(=O)n2ccccc2n1)c1cccc(C(F)(F)F)c1 ZINC000181860182 822019099 /nfs/dbraw/zinc/01/90/99/822019099.db2.gz ZPGJSHRRJTUXBM-QGZVFWFLSA-N 1 0 375.394 4.344 20 0 GIADRO COc1ccccc1-c1nnc(CN[C@H](C)c2cccc(N3CCCC3)c2)o1 ZINC000181871274 822021901 /nfs/dbraw/zinc/02/19/01/822021901.db2.gz GFJISGHHLNTRHW-MRXNPFEDSA-N 1 0 378.476 4.196 20 0 GIADRO N#Cc1ccc(CN2CCC([NH2+]C[C@H](O)c3cc4ccccc4s3)CC2)cc1 ZINC000181892165 822028896 /nfs/dbraw/zinc/02/88/96/822028896.db2.gz BNGZIKQWKSDAFT-NRFANRHFSA-N 1 0 391.540 4.061 20 0 GIADRO C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccnc(Cl)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181914305 822035231 /nfs/dbraw/zinc/03/52/31/822035231.db2.gz GVGRDUZUOHZMIC-SJCJKPOMSA-N 1 0 397.281 4.342 20 0 GIADRO CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H]1CCCOCC1 ZINC000181920542 822037014 /nfs/dbraw/zinc/03/70/14/822037014.db2.gz AENKNLJDXDETIT-QGZVFWFLSA-N 1 0 392.341 4.417 20 0 GIADRO COc1ccc(C[C@@H](C)C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)cc1OC ZINC000181933962 822039703 /nfs/dbraw/zinc/03/97/03/822039703.db2.gz KJNTVSPSEWSGKQ-MSOLQXFVSA-N 1 0 398.547 4.128 20 0 GIADRO C[C@@H]([NH2+]CCS(=O)(=O)C(C)(C)C)c1cc2cc(Br)ccc2o1 ZINC000181954967 822044985 /nfs/dbraw/zinc/04/49/85/822044985.db2.gz KAWBDSDOCZJSKI-LLVKDONJSA-N 1 0 388.327 4.059 20 0 GIADRO C[C@@H]([NH2+]CCOc1ncc(C(F)(F)F)cc1Cl)c1ccc(OCC#N)cc1 ZINC000181988242 822054473 /nfs/dbraw/zinc/05/44/73/822054473.db2.gz BXDRSSATFIBREI-GFCCVEGCSA-N 1 0 399.800 4.386 20 0 GIADRO COc1cccc([C@@H]2[C@H](NC(=O)N3CCC[C@@H]3c3ccco3)CC[N@@H+]2C2CC2)c1 ZINC000181987880 822054679 /nfs/dbraw/zinc/05/46/79/822054679.db2.gz MFTYXUUUJCLWTC-KCZVDYSFSA-N 1 0 395.503 4.113 20 0 GIADRO C[C@H]([NH2+]CCCOC1CCOCC1)c1cc2cc(Br)ccc2o1 ZINC000181988686 822055319 /nfs/dbraw/zinc/05/53/19/822055319.db2.gz JKIQNXQQFHWONM-ZDUSSCGKSA-N 1 0 382.298 4.432 20 0 GIADRO CC(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccc(NC(=O)c3ccco3)cc2)cc1 ZINC000182011872 822061817 /nfs/dbraw/zinc/06/18/17/822061817.db2.gz BQLOUGFPPKGKPF-HNNXBMFYSA-N 1 0 377.444 4.341 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2c3ccccc3oc2C(C)=O)cc1F ZINC000182028847 822066999 /nfs/dbraw/zinc/06/69/99/822066999.db2.gz RQXRXLLYBANOHW-STQMWFEESA-N 1 0 398.434 4.461 20 0 GIADRO CN(CCC[NH+](C)C)C(=O)c1cc2ccccc2cc1NC(=O)OC(C)(C)C ZINC000182028799 822067232 /nfs/dbraw/zinc/06/72/32/822067232.db2.gz LCCFCWDRVRNVBV-UHFFFAOYSA-N 1 0 385.508 4.211 20 0 GIADRO CCOc1cccc2cc([C@H](C)NC3CC[NH+]([C@@H]4CCCC[C@@H]4O)CC3)oc21 ZINC000182029146 822067627 /nfs/dbraw/zinc/06/76/27/822067627.db2.gz NOIHUURAQQCQIY-DBVUQKKJSA-N 1 0 386.536 4.250 20 0 GIADRO C[C@H]([NH2+]Cc1cc(-c2ccc(Cl)cc2)no1)c1ccc(-n2ccnn2)cc1 ZINC000182052431 822075061 /nfs/dbraw/zinc/07/50/61/822075061.db2.gz SVGZWKKHNKPMOP-AWEZNQCLSA-N 1 0 379.851 4.427 20 0 GIADRO C/C(=C\c1cccc(Cl)c1)C(=O)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC000182060982 822078073 /nfs/dbraw/zinc/07/80/73/822078073.db2.gz MSWALTRINDNYLL-DTQAZKPQSA-N 1 0 384.907 4.339 20 0 GIADRO C[C@@H](c1ccccn1)[N@H+](C)Cc1cc(Br)c2c(c1)OCCCO2 ZINC000182064528 822078952 /nfs/dbraw/zinc/07/89/52/822078952.db2.gz DFMJVAJBOKXVEU-ZDUSSCGKSA-N 1 0 377.282 4.198 20 0 GIADRO CSc1nnc(CCC[NH2+][C@@H]2CCCOc3cc(F)ccc32)n1CC(C)C ZINC000182080035 822085157 /nfs/dbraw/zinc/08/51/57/822085157.db2.gz TUPZNHYDZIBQKX-QGZVFWFLSA-N 1 0 392.544 4.231 20 0 GIADRO COc1cccc2cc([C@@H](C)[NH2+]C[C@@H]3CC(=O)N(Cc4ccccc4)C3)oc21 ZINC000182084411 822087104 /nfs/dbraw/zinc/08/71/04/822087104.db2.gz WXVZXGCRIRHINP-AEFFLSMTSA-N 1 0 378.472 4.141 20 0 GIADRO CN1CC[C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000182090639 822089762 /nfs/dbraw/zinc/08/97/62/822089762.db2.gz FIGFJTSEZKSJJQ-OPTDIUSFSA-N 1 0 378.919 4.019 20 0 GIADRO CCCOc1c(Cl)cc(C[N@@H+]2CCC[C@@H](Cc3nccn3C)C2)cc1OC ZINC000182093494 822091329 /nfs/dbraw/zinc/09/13/29/822091329.db2.gz HALBIJAUFQGQIA-INIZCTEOSA-N 1 0 391.943 4.326 20 0 GIADRO CC(C)OCC[NH+]1CCC(NC(=O)N(c2ccccc2)c2ccccc2)CC1 ZINC000182094574 822091826 /nfs/dbraw/zinc/09/18/26/822091826.db2.gz FGSILUBDTUESOC-UHFFFAOYSA-N 1 0 381.520 4.424 20 0 GIADRO COCc1ccccc1CNC(=O)C[NH2+][C@H](C)c1ccc(SC(C)C)cc1 ZINC000182104868 822095239 /nfs/dbraw/zinc/09/52/39/822095239.db2.gz AIEWFUBLYDWYGJ-QGZVFWFLSA-N 1 0 386.561 4.301 20 0 GIADRO COC(=O)c1ccc(F)c(C[NH2+][C@@H](C)c2cccc(OCc3ccccn3)c2)c1 ZINC000182107974 822096556 /nfs/dbraw/zinc/09/65/56/822096556.db2.gz HGXCIGUMYCFZDJ-INIZCTEOSA-N 1 0 394.446 4.437 20 0 GIADRO CCSc1ccc([C@@H](C)[NH2+]CC(=O)NC[C@H]2CCN(c3ccccc3)C2)cc1 ZINC000182112985 822099010 /nfs/dbraw/zinc/09/90/10/822099010.db2.gz SBVNJTKHRIANSK-RTBURBONSA-N 1 0 397.588 4.092 20 0 GIADRO CCCC(=O)Nc1ccc(Cl)c(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000182128875 822107697 /nfs/dbraw/zinc/10/76/97/822107697.db2.gz GVMUHYPHCKTZKA-HNNXBMFYSA-N 1 0 392.931 4.028 20 0 GIADRO COCCOc1ccc([C@H](C)[NH2+][C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000182160925 822124655 /nfs/dbraw/zinc/12/46/55/822124655.db2.gz USBWXRLKNJACSU-SZFUDVHCSA-N 1 0 377.431 4.171 20 0 GIADRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCN(C(=O)CCc3ccccc3)C1)CCCO2 ZINC000182186473 822138213 /nfs/dbraw/zinc/13/82/13/822138213.db2.gz HKYOQDOEGLUVCL-IFMALSPDSA-N 1 0 378.516 4.032 20 0 GIADRO CC([NH2+]CC(=O)N1CCC[C@H](C(F)(F)F)C1)(c1ccccc1)c1ccccc1 ZINC000182206932 822147242 /nfs/dbraw/zinc/14/72/42/822147242.db2.gz OPZVYDFWIVPEGT-IBGZPJMESA-N 1 0 390.449 4.341 20 0 GIADRO C[C@H](CCNC(=O)Cc1csc(-c2ccc(Cl)s2)n1)[NH+]1CCCCC1 ZINC000182223191 822154947 /nfs/dbraw/zinc/15/49/47/822154947.db2.gz ACYXRDUJLLQMMO-CYBMUJFWSA-N 1 0 397.997 4.448 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N(C)[C@H](C)c1cc2ccccc2o1)c1ccc2c(c1)OCO2 ZINC000182296527 822191881 /nfs/dbraw/zinc/19/18/81/822191881.db2.gz GSIDEVVGNLYXRL-HUUCEWRRSA-N 1 0 380.444 4.032 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)c2cnc(OCC3CC3)c(Cl)c2)CC1 ZINC000182298776 822192795 /nfs/dbraw/zinc/19/27/95/822192795.db2.gz KCGVRLVCOIKRRW-UHFFFAOYSA-N 1 0 393.959 4.108 20 0 GIADRO CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000182301484 822193146 /nfs/dbraw/zinc/19/31/46/822193146.db2.gz XWLNZSSHMZUMNK-QWHCGFSZSA-N 1 0 394.427 4.042 20 0 GIADRO CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000182301500 822193366 /nfs/dbraw/zinc/19/33/66/822193366.db2.gz XWLNZSSHMZUMNK-CHWSQXEVSA-N 1 0 394.427 4.042 20 0 GIADRO Cc1cc(C)c(OCC(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)c(C)c1 ZINC000182360733 822214816 /nfs/dbraw/zinc/21/48/16/822214816.db2.gz VTASUBCSIHCFEI-UHFFFAOYSA-N 1 0 395.547 4.160 20 0 GIADRO CC[C@H](C)Oc1cc(C(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)ccn1 ZINC000182369891 822218115 /nfs/dbraw/zinc/21/81/15/822218115.db2.gz JVGHSAGTSZAOFP-SFHVURJKSA-N 1 0 396.535 4.033 20 0 GIADRO CCCc1nc(C)c(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)s1 ZINC000182372102 822218889 /nfs/dbraw/zinc/21/88/89/822218889.db2.gz MFLPIIIYCXEWGC-UHFFFAOYSA-N 1 0 386.565 4.187 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H]3C[C@H]3c3cccc(F)c3F)cc2)CC1 ZINC000182371424 822218973 /nfs/dbraw/zinc/21/89/73/822218973.db2.gz PDXGNXPNIJHURU-PMACEKPBSA-N 1 0 399.485 4.237 20 0 GIADRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000182384616 822224314 /nfs/dbraw/zinc/22/43/14/822224314.db2.gz CMKOPBFZRLFBPS-NWDGAFQWSA-N 1 0 382.382 4.097 20 0 GIADRO CC[C@@H](NCC(=O)N1CCCCC[C@@H]1c1ccc(OC)cc1)c1c(C)noc1C ZINC000182412238 822233494 /nfs/dbraw/zinc/23/34/94/822233494.db2.gz ZRYXBORVVXLERB-NHCUHLMSSA-N 1 0 399.535 4.485 20 0 GIADRO COc1ccc([C@@H](CCO)[NH2+]Cc2cc(=O)oc3cc(C)c(C(C)C)cc23)cc1 ZINC000182414697 822234840 /nfs/dbraw/zinc/23/48/40/822234840.db2.gz HKZOCTQZWBZEOJ-JOCHJYFZSA-N 1 0 395.499 4.447 20 0 GIADRO COc1ccc(NC(=O)CC[NH2+][C@H](C)c2ccc(-c3ccncc3)cc2)cc1 ZINC000182439943 822243516 /nfs/dbraw/zinc/24/35/16/822243516.db2.gz VNHRQMFXBSVBIM-QGZVFWFLSA-N 1 0 375.472 4.437 20 0 GIADRO C[C@H](NC(=O)N[C@@H]1CCSc2c(F)cccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182441721 822244122 /nfs/dbraw/zinc/24/41/22/822244122.db2.gz MHGRSURAJDXPNG-YZVOILCLSA-N 1 0 391.556 4.315 20 0 GIADRO COc1ccc(O)c([C@H](C)N[C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)c1 ZINC000182448957 822246218 /nfs/dbraw/zinc/24/62/18/822246218.db2.gz DPPVYWYDXCLDMC-STQMWFEESA-N 1 0 387.867 4.440 20 0 GIADRO COCc1cc([C@@H](C)[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)ccc1OC ZINC000177939161 822249484 /nfs/dbraw/zinc/24/94/84/822249484.db2.gz RUBCBGUNZAMRDK-IQMFZBJNSA-N 1 0 383.488 4.415 20 0 GIADRO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(C(F)(F)F)cc2)cc1OC ZINC000182458912 822250510 /nfs/dbraw/zinc/25/05/10/822250510.db2.gz WNJZMZODKCZXJT-LBPRGKRZSA-N 1 0 382.382 4.012 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@H](C)c2ccc(OC(F)F)cc2OC(F)F)cnn1C ZINC000177962925 822259640 /nfs/dbraw/zinc/25/96/40/822259640.db2.gz YROUOHHZSBHUHI-ZJUUUORDSA-N 1 0 375.366 4.343 20 0 GIADRO COc1ccc(C[C@H](C)[NH2+][C@H](C)c2nnn(-c3ccc(F)cc3)c2C)cc1OC ZINC000177964496 822260078 /nfs/dbraw/zinc/26/00/78/822260078.db2.gz QUCOUEQCHVQEAB-LSDHHAIUSA-N 1 0 398.482 4.014 20 0 GIADRO C[C@@H]([NH2+]Cc1ccccc1N1CCOCC1)[C@@H](C)c1nc2ccccc2s1 ZINC000177964180 822260110 /nfs/dbraw/zinc/26/01/10/822260110.db2.gz ZYJQLOXOAJSXSW-IAGOWNOFSA-N 1 0 381.545 4.415 20 0 GIADRO CCOc1ccc2c(c1)[C@@H](NC1CC[NH+](CCc3ccccc3)CC1)CCO2 ZINC000177969004 822262141 /nfs/dbraw/zinc/26/21/41/822262141.db2.gz GKZXVHMWULZUQS-QHCPKHFHSA-N 1 0 380.532 4.206 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCSc2c(F)cccc21)c1ccc(NS(C)(=O)=O)cc1 ZINC000177971691 822263697 /nfs/dbraw/zinc/26/36/97/822263697.db2.gz LKKCEZBHMMNUSA-PXAZEXFGSA-N 1 0 380.510 4.085 20 0 GIADRO COc1ccc(OC)c([C@@H](C)[NH2+]CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000177975103 822265313 /nfs/dbraw/zinc/26/53/13/822265313.db2.gz HDFMYCKKHCFQLZ-HZPDHXFCSA-N 1 0 378.513 4.002 20 0 GIADRO CC[N@H+](CCc1ccc(F)c(F)c1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000177977677 822266574 /nfs/dbraw/zinc/26/65/74/822266574.db2.gz IAGCWPOOAUWHBN-UHFFFAOYSA-N 1 0 386.364 4.487 20 0 GIADRO COc1ccc(C[C@@H]([NH2+]CCc2c(C)noc2C)c2ccc(OC)cc2)cc1 ZINC000177983409 822269209 /nfs/dbraw/zinc/26/92/09/822269209.db2.gz JYAFOMGRSNJHCR-HSZRJFAPSA-N 1 0 380.488 4.425 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(OC)c(Cc3ccccc3)c2)C1 ZINC000178007140 822279681 /nfs/dbraw/zinc/27/96/81/822279681.db2.gz RPRFMNPOXZKMAF-LJQANCHMSA-N 1 0 381.520 4.092 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(OC)c(Cc3ccccc3)c2)C1 ZINC000178007127 822279710 /nfs/dbraw/zinc/27/97/10/822279710.db2.gz RPRFMNPOXZKMAF-IBGZPJMESA-N 1 0 381.520 4.092 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CCc2ccc(F)c(Br)c2)c1 ZINC000178008856 822280090 /nfs/dbraw/zinc/28/00/90/822280090.db2.gz XMRHHTHVNFYLIA-GFCCVEGCSA-N 1 0 379.273 4.440 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc2c(c1)OCCCO2)c1ccc(N2CCOC2=O)cc1 ZINC000178020383 822285798 /nfs/dbraw/zinc/28/57/98/822285798.db2.gz ZNIDPVACGMAVSD-HZPDHXFCSA-N 1 0 382.460 4.216 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCCO2)c1cccc(N2CCCC2=O)c1 ZINC000178020974 822285890 /nfs/dbraw/zinc/28/58/90/822285890.db2.gz SFUJWJCSICSAMF-SJORKVTESA-N 1 0 380.488 4.387 20 0 GIADRO Cc1cccc(C)c1NC(=O)CCC[N@@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000178021638 822286364 /nfs/dbraw/zinc/28/63/64/822286364.db2.gz ODQMLKCHTYACAZ-CLYVBNDRSA-N 1 0 386.561 4.453 20 0 GIADRO Cc1ccc(-c2cc(C[NH2+][C@@H](C)c3cccc(N4CCOC4=O)c3)on2)cc1 ZINC000178026369 822288644 /nfs/dbraw/zinc/28/86/44/822288644.db2.gz BCXKLCCHTGOZSM-INIZCTEOSA-N 1 0 377.444 4.457 20 0 GIADRO CC[C@H]([NH2+][C@@H]1CCSc2ccccc21)c1ccccc1OCC(=O)N(C)C ZINC000178027916 822289354 /nfs/dbraw/zinc/28/93/54/822289354.db2.gz LKKLCIPHSYVNQF-RBUKOAKNSA-N 1 0 384.545 4.431 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CCSc3ccccc32)cc1 ZINC000178027766 822289680 /nfs/dbraw/zinc/28/96/80/822289680.db2.gz IREMVRYWKYKJJQ-KSSFIOAISA-N 1 0 376.547 4.336 20 0 GIADRO O=C(CCCc1ccc2ccccc2c1)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000182545101 822294264 /nfs/dbraw/zinc/29/42/64/822294264.db2.gz YXOIOPLLIONLHJ-UHFFFAOYSA-N 1 0 387.527 4.338 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+]CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)c1 ZINC000182545746 822294804 /nfs/dbraw/zinc/29/48/04/822294804.db2.gz GPIBLKJRUDCKEV-INIZCTEOSA-N 1 0 399.510 4.262 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccnc(Oc3ccccc3Cl)c2)C1 ZINC000178040746 822294883 /nfs/dbraw/zinc/29/48/83/822294883.db2.gz UNLRMHQMZJNROT-OAHLLOKOSA-N 1 0 388.899 4.333 20 0 GIADRO Fc1cccc(C[C@@H]([NH2+]Cc2cccnc2-n2cncn2)c2cccc(F)c2)c1 ZINC000178048631 822299664 /nfs/dbraw/zinc/29/96/64/822299664.db2.gz BZOVAIRPGYKFBF-OAQYLSRUSA-N 1 0 391.425 4.014 20 0 GIADRO C[C@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccc(-c2ccccc2F)s1 ZINC000178049543 822300166 /nfs/dbraw/zinc/30/01/66/822300166.db2.gz NFVHVXPCGUGYRQ-AWEZNQCLSA-N 1 0 379.464 4.381 20 0 GIADRO C[C@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccccc1OCc1ccccc1 ZINC000178050551 822300900 /nfs/dbraw/zinc/30/09/00/822300900.db2.gz RRNITXYAACXKMW-SFHVURJKSA-N 1 0 385.471 4.092 20 0 GIADRO COc1ccc(Cl)cc1[C@@H](CC(C)C)[NH2+]Cc1cccnc1-n1cncn1 ZINC000178051685 822301590 /nfs/dbraw/zinc/30/15/90/822301590.db2.gz CBQAWDZXNYWFFA-GOSISDBHSA-N 1 0 385.899 4.201 20 0 GIADRO CCN(CC)C(=O)CCC1CC[NH+](Cc2csc(-c3ccoc3)n2)CC1 ZINC000182567847 822306404 /nfs/dbraw/zinc/30/64/04/822306404.db2.gz MNXYZBDOAOLCRY-UHFFFAOYSA-N 1 0 375.538 4.264 20 0 GIADRO O=C(Nc1ccc2c(c1)CCO2)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000178066162 822307258 /nfs/dbraw/zinc/30/72/58/822307258.db2.gz NSKNHZGZYHAMEU-IRLDBZIGSA-N 1 0 391.515 4.140 20 0 GIADRO CN(C)S(=O)(=O)c1cccc(C[NH2+][C@H](c2ccc(Cl)cc2)C2CCC2)c1 ZINC000182582764 822312208 /nfs/dbraw/zinc/31/22/08/822312208.db2.gz PZSZGULGQGWRFI-FQEVSTJZSA-N 1 0 392.952 4.221 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@H]2CCc3cc(Cl)ccc32)ccc1S(C)(=O)=O ZINC000178085805 822313760 /nfs/dbraw/zinc/31/37/60/822313760.db2.gz DWNTVERDFVUHEH-PXAZEXFGSA-N 1 0 379.909 4.090 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1Cl)c1ccc(N2CCOC2=O)cc1 ZINC000178088094 822313999 /nfs/dbraw/zinc/31/39/99/822313999.db2.gz UOBYGDOEICNRSJ-SGTLLEGYSA-N 1 0 395.286 4.334 20 0 GIADRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+][C@@H](C)C(=O)NC3CCCC3)s2)cc1 ZINC000178099384 822319196 /nfs/dbraw/zinc/31/91/96/822319196.db2.gz DQQIWWWZCBLGNM-HIFRSBDPSA-N 1 0 387.549 4.225 20 0 GIADRO C[C@@H](NC(=O)N[C@H](c1nccs1)c1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182613360 822322595 /nfs/dbraw/zinc/32/25/95/822322595.db2.gz LYNNMNYNOAWCGL-POAQFYNOSA-N 1 0 398.576 4.185 20 0 GIADRO COc1ccc([C@H](N[C@H](C)c2ccoc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000178123793 822326774 /nfs/dbraw/zinc/32/67/74/822326774.db2.gz KGUFMSHOCBGNDT-VFNWGFHPSA-N 1 0 385.485 4.132 20 0 GIADRO C[C@@H](NC(=O)NCCCc1c[nH]c2ccccc12)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182628112 822329458 /nfs/dbraw/zinc/32/94/58/822329458.db2.gz WFRDPXDUVFKVGT-MJGOQNOKSA-N 1 0 382.552 4.053 20 0 GIADRO COc1ccc(CN(C)C(=O)[C@H](C)[NH2+][C@H](C)c2cc3ccccc3o2)cc1OC ZINC000182629185 822330014 /nfs/dbraw/zinc/33/00/14/822330014.db2.gz HBLJFCVGQNFXQU-CVEARBPZSA-N 1 0 396.487 4.148 20 0 GIADRO O=C(CC[N@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1)c1ccccc1 ZINC000182631063 822331141 /nfs/dbraw/zinc/33/11/41/822331141.db2.gz QCFYARBYGOKIPJ-SFHVURJKSA-N 1 0 379.435 4.328 20 0 GIADRO C[C@@H](Nc1ccc(N2CC[NH+](C)CC2)cc1)c1nc2ccc(Cl)cc2n1C ZINC000182634913 822332380 /nfs/dbraw/zinc/33/23/80/822332380.db2.gz MNTNQBJUQSGEKO-OAHLLOKOSA-N 1 0 383.927 4.152 20 0 GIADRO O=C(Nc1cccc(-c2cccs2)c1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000178145633 822332469 /nfs/dbraw/zinc/33/24/69/822332469.db2.gz XWAQHFGRBNODFX-WOJBJXKFSA-N 1 0 399.560 4.305 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCC1)Nc1ccc(-c2ncco2)cc1 ZINC000182635277 822333050 /nfs/dbraw/zinc/33/30/50/822333050.db2.gz YANORIRDUZWYNL-UHFFFAOYSA-N 1 0 376.460 4.259 20 0 GIADRO Clc1ccc(C[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)cc1Br ZINC000182635979 822333106 /nfs/dbraw/zinc/33/31/06/822333106.db2.gz WYBWUTXPYCQUDJ-IUODEOHRSA-N 1 0 376.747 4.247 20 0 GIADRO C[C@H](NC(=O)C1([NH3+])CCCC1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000178165888 822338453 /nfs/dbraw/zinc/33/84/53/822338453.db2.gz RHPHDZWIVIXVCJ-NSHDSACASA-N 1 0 394.338 4.021 20 0 GIADRO CCOc1cccc2cc([C@@H](C)[NH2+]C[C@@H](O)COCc3cccs3)oc21 ZINC000182651203 822339094 /nfs/dbraw/zinc/33/90/94/822339094.db2.gz SKRFDNBOJDAOIG-GDBMZVCRSA-N 1 0 375.490 4.121 20 0 GIADRO C[C@@H]([NH2+]CCCSc1ccc(F)cc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000178169355 822340089 /nfs/dbraw/zinc/34/00/89/822340089.db2.gz QVHCUHIOUSIHFU-CYBMUJFWSA-N 1 0 385.501 4.201 20 0 GIADRO C[C@H]([NH2+]CCCSc1ccc(F)cc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000178169342 822340150 /nfs/dbraw/zinc/34/01/50/822340150.db2.gz QVHCUHIOUSIHFU-ZDUSSCGKSA-N 1 0 385.501 4.201 20 0 GIADRO Cc1cc(N2CCSCC2)ccc1NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178172307 822340961 /nfs/dbraw/zinc/34/09/61/822340961.db2.gz GGVNUIAOTDULBO-SFHVURJKSA-N 1 0 387.593 4.141 20 0 GIADRO C[C@H](CCNC(=O)N(CCc1ccccc1)Cc1cccnc1)[NH+]1CCCCC1 ZINC000182660630 822342969 /nfs/dbraw/zinc/34/29/69/822342969.db2.gz GNNQAWMVDIHCOY-OAQYLSRUSA-N 1 0 394.563 4.100 20 0 GIADRO COc1ccc([C@H](C)CCNC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000182666541 822344447 /nfs/dbraw/zinc/34/44/47/822344447.db2.gz DMDBCKMVVUNXPY-WSTZPKSXSA-N 1 0 387.568 4.141 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+][C@H]1CCCN(c2ncccn2)C1 ZINC000178190085 822347654 /nfs/dbraw/zinc/34/76/54/822347654.db2.gz DBRKZCSMBMFQLD-KSSFIOAISA-N 1 0 397.523 4.367 20 0 GIADRO CC1CC[NH+](Cc2cccc(CNC(=O)N3CCCC[C@H]3c3cn[nH]c3)c2)CC1 ZINC000182676075 822347687 /nfs/dbraw/zinc/34/76/87/822347687.db2.gz PNEFVBHLSUOXKL-QFIPXVFZSA-N 1 0 395.551 4.078 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1ccc(SCC(F)(F)F)cc1 ZINC000178190470 822347864 /nfs/dbraw/zinc/34/78/64/822347864.db2.gz MFEIFQDHGXVYIT-GDBMZVCRSA-N 1 0 396.482 4.451 20 0 GIADRO O=C(CC[NH2+][C@H]1CCCc2nc(-c3ccccc3F)sc21)N1CCCCC1 ZINC000178200470 822350216 /nfs/dbraw/zinc/35/02/16/822350216.db2.gz OGKDHIDMSVKAIT-KRWDZBQOSA-N 1 0 387.524 4.319 20 0 GIADRO Cn1cccc1[C@@H]1CCCN1C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000178201519 822350759 /nfs/dbraw/zinc/35/07/59/822350759.db2.gz XHOCNWQSNHISSF-QFIPXVFZSA-N 1 0 396.535 4.259 20 0 GIADRO O=C(CC[NH2+][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21)N1CCCCC1 ZINC000178201871 822350889 /nfs/dbraw/zinc/35/08/89/822350889.db2.gz KYYZRGYEECBZHB-QGZVFWFLSA-N 1 0 387.524 4.319 20 0 GIADRO COc1ccc(OC)c([C@@H](C)[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000182705817 822356130 /nfs/dbraw/zinc/35/61/30/822356130.db2.gz YKNTYKZTXFWDQY-HZPDHXFCSA-N 1 0 378.513 4.144 20 0 GIADRO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CCc1ccc2c(c1)CCO2 ZINC000178232685 822356812 /nfs/dbraw/zinc/35/68/12/822356812.db2.gz XZUZDSDWHRCSPX-CQSZACIVSA-N 1 0 392.421 4.190 20 0 GIADRO CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC000178245374 822357977 /nfs/dbraw/zinc/35/79/77/822357977.db2.gz NDWGTUFKUAROOC-MYUZEXMDSA-N 1 0 390.593 4.327 20 0 GIADRO COc1ccc([C@@H]2CCCN2C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000045026997 822358027 /nfs/dbraw/zinc/35/80/27/822358027.db2.gz GDCRFNWBHZORGT-QHCPKHFHSA-N 1 0 393.531 4.206 20 0 GIADRO C[C@H]1C[NH+](CCC2CCN(C(=O)CCc3ccccc3Cl)CC2)C[C@H](C)O1 ZINC000178245651 822358150 /nfs/dbraw/zinc/35/81/50/822358150.db2.gz SCOFQWMWCMNVPZ-ROUUACIJSA-N 1 0 392.971 4.011 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)N[C@H]1CCSc2ccccc21 ZINC000045027464 822358237 /nfs/dbraw/zinc/35/82/37/822358237.db2.gz CITDJDYGFAZHMG-FQEVSTJZSA-N 1 0 381.545 4.187 20 0 GIADRO C[C@H](C(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)c1ccc(Cl)s1 ZINC000178248038 822358391 /nfs/dbraw/zinc/35/83/91/822358391.db2.gz CAIUIIGNAPUMOG-OAGGEKHMSA-N 1 0 399.000 4.243 20 0 GIADRO COc1ccc([C@H](Cc2ccccc2)[NH2+][C@@H]2CCO[C@H](c3nccn3C)C2)cc1 ZINC000453405474 822358481 /nfs/dbraw/zinc/35/84/81/822358481.db2.gz SPBODRCPICZLAA-PUHATCMVSA-N 1 0 391.515 4.222 20 0 GIADRO Cn1ccnc1[C@@H]1C[C@@H]([NH2+][C@@H](Cc2ccc(F)cc2)c2ccccc2)CCO1 ZINC000453404346 822358489 /nfs/dbraw/zinc/35/84/89/822358489.db2.gz RLPIEIZBCURJCB-FKBYEOEOSA-N 1 0 379.479 4.353 20 0 GIADRO Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+][C@@H]1CCO[C@H](c2nccn2C)C1 ZINC000453405414 822358491 /nfs/dbraw/zinc/35/84/91/822358491.db2.gz SKQKIBZFZYBEFZ-NJAFHUGGSA-N 1 0 375.900 4.106 20 0 GIADRO COc1cc(F)cc(C[C@H](C)[NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)c1 ZINC000453407690 822358686 /nfs/dbraw/zinc/35/86/86/822358686.db2.gz UZALUOVJRRITLF-GJZGRUSLSA-N 1 0 385.483 4.400 20 0 GIADRO CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000453411396 822359092 /nfs/dbraw/zinc/35/90/92/822359092.db2.gz ALRZZPOKOCJHPN-HYVNUMGLSA-N 1 0 386.355 4.082 20 0 GIADRO Cn1ccnc1[C@@H]1C[C@@H]([NH2+][C@@H](Cc2cccc(F)c2)c2cccc(F)c2)CCO1 ZINC000453414411 822359534 /nfs/dbraw/zinc/35/95/34/822359534.db2.gz YVAIVFQZOQIGOJ-FKBYEOEOSA-N 1 0 397.469 4.492 20 0 GIADRO COC(=O)c1ccc(C[NH2+][C@@H](C)c2sc(-c3ccc(OC)cc3)nc2C)o1 ZINC000178256320 822359569 /nfs/dbraw/zinc/35/95/69/822359569.db2.gz ICEWOSYRTYLCKD-LBPRGKRZSA-N 1 0 386.473 4.358 20 0 GIADRO O=C1[C@H]([NH2+][C@H]2CCCc3nc(-c4ccccc4F)sc32)C[C@@H]2CCCCN12 ZINC000453414625 822359807 /nfs/dbraw/zinc/35/98/07/822359807.db2.gz BJTYXQNAQUVBSE-QANKJYHBSA-N 1 0 385.508 4.070 20 0 GIADRO CC(C)Oc1ccc([C@H](C)[NH2+][C@H]2CCO[C@H](c3nccn3C)C2)cc1Cl ZINC000453416968 822359999 /nfs/dbraw/zinc/35/99/99/822359999.db2.gz ZTDCJPCKITUHCI-QOKNQOGYSA-N 1 0 377.916 4.432 20 0 GIADRO Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@@H](C)CCc1ccc(C(F)(F)F)cc1 ZINC000453416072 822360023 /nfs/dbraw/zinc/36/00/23/822360023.db2.gz BVYVOCVPGAKWSB-ZFWWWQNUSA-N 1 0 379.426 4.347 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@H](C)c2ccc3c(c2)OCCO3)ccc1OC(F)F ZINC000178266567 822360905 /nfs/dbraw/zinc/36/09/05/822360905.db2.gz PQUHLFBBWFWYCR-CHWSQXEVSA-N 1 0 379.403 4.480 20 0 GIADRO O=C(Nc1ccc(Cl)cc1Br)NC1CC[NH+](CC2CC2)CC1 ZINC000178275761 822362085 /nfs/dbraw/zinc/36/20/85/822362085.db2.gz XTJZKIGKGVVTEK-UHFFFAOYSA-N 1 0 386.721 4.098 20 0 GIADRO CC[C@@H](C(=O)N1CCC([NH2+][C@@H](C)c2ccc3c(c2)CCO3)CC1)c1ccccc1 ZINC000178274267 822362106 /nfs/dbraw/zinc/36/21/06/822362106.db2.gz BSADKGMGNKTACG-FDDCHVKYSA-N 1 0 392.543 4.457 20 0 GIADRO Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]C1CCN(CC(F)(F)F)CC1)CCCO2 ZINC000178275611 822362176 /nfs/dbraw/zinc/36/21/76/822362176.db2.gz GGQRLHSZYVDFHV-INIZCTEOSA-N 1 0 376.850 4.478 20 0 GIADRO CCCOc1cccc(CC(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2C)c1 ZINC000178275889 822362192 /nfs/dbraw/zinc/36/21/92/822362192.db2.gz FTEWNFZWTPVPMF-UHFFFAOYSA-N 1 0 395.547 4.107 20 0 GIADRO O=C([C@H](Cc1ccccc1)[NH2+][C@H]1CCSc2c(F)cccc21)N1CCCC1 ZINC000178277289 822362282 /nfs/dbraw/zinc/36/22/82/822362282.db2.gz OGALISIVPOVAPU-PMACEKPBSA-N 1 0 384.520 4.186 20 0 GIADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCC1CC(F)(F)C1 ZINC000453436838 822362773 /nfs/dbraw/zinc/36/27/73/822362773.db2.gz VBEXSJLZNFTQEA-NSHDSACASA-N 1 0 375.257 4.191 20 0 GIADRO CC[C@@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1cccc(Br)c1 ZINC000178288342 822363766 /nfs/dbraw/zinc/36/37/66/822363766.db2.gz GVACZGYLTIUMSU-GOSISDBHSA-N 1 0 396.350 4.235 20 0 GIADRO CC1(C)C[C@@H](C[NH2+][C@H](c2ccc(Br)cc2)c2cncnc2)CCO1 ZINC000453444235 822363937 /nfs/dbraw/zinc/36/39/37/822363937.db2.gz XUIQKEWXHODMQM-KBXCAEBGSA-N 1 0 390.325 4.123 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccnc1C)c1ccc(Br)cc1 ZINC000453457439 822367685 /nfs/dbraw/zinc/36/76/85/822367685.db2.gz VMHCBMPXDGPXSY-BBRMVZONSA-N 1 0 376.298 4.220 20 0 GIADRO CC[NH+](CC)Cc1cc([C@@H](C)Nc2cc(C(=O)NC)ccc2C)ccc1OC ZINC000182789798 822367762 /nfs/dbraw/zinc/36/77/62/822367762.db2.gz NNGHWEQRGMAGBS-QGZVFWFLSA-N 1 0 383.536 4.378 20 0 GIADRO C[C@@H](CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1)c1nccs1 ZINC000182792462 822368060 /nfs/dbraw/zinc/36/80/60/822368060.db2.gz QRFPNARISXVTHJ-HOTGVXAUSA-N 1 0 392.594 4.081 20 0 GIADRO CCC[C@@H]1CN(C(=O)Nc2cccc(NC(C)=O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000182796647 822368926 /nfs/dbraw/zinc/36/89/26/822368926.db2.gz FFHAOIPOOJABRK-JOCHJYFZSA-N 1 0 394.519 4.163 20 0 GIADRO CCC[C@H]1CN(C(=O)Nc2cccc(NC(C)=O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000182796664 822369024 /nfs/dbraw/zinc/36/90/24/822369024.db2.gz FFHAOIPOOJABRK-QFIPXVFZSA-N 1 0 394.519 4.163 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCC1)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000045191052 822369314 /nfs/dbraw/zinc/36/93/14/822369314.db2.gz DJVXCJXTAKNXIC-JOCHJYFZSA-N 1 0 381.495 4.468 20 0 GIADRO CCn1c([C@@H]2CC[C@H](C)O2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000453462694 822369315 /nfs/dbraw/zinc/36/93/15/822369315.db2.gz JCEGQHPUDIUSRV-JYRKZWEQSA-N 1 0 397.567 4.027 20 0 GIADRO COc1ccccc1[C@H](NC(=O)NC[C@@H](c1cccs1)[NH+](C)C)c1ccco1 ZINC000178360735 822371056 /nfs/dbraw/zinc/37/10/56/822371056.db2.gz IFCWUEDFPAERQG-JXFKEZNVSA-N 1 0 399.516 4.041 20 0 GIADRO COc1ccccc1[C@@H](NC(=O)NC[C@H](c1cccs1)[NH+](C)C)c1ccco1 ZINC000178360771 822371266 /nfs/dbraw/zinc/37/12/66/822371266.db2.gz IFCWUEDFPAERQG-OXQOHEQNSA-N 1 0 399.516 4.041 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccc(F)cc1C(F)(F)F ZINC000178371303 822372373 /nfs/dbraw/zinc/37/23/73/822372373.db2.gz FZAJMRRFFWESLR-UHFFFAOYSA-N 1 0 380.385 4.370 20 0 GIADRO COc1cc(C[NH2+][C@H](C)c2cc(Br)ccc2F)cc(OC)c1OC ZINC000178378993 822372980 /nfs/dbraw/zinc/37/29/80/822372980.db2.gz VPFGXNQJAAKNPZ-LLVKDONJSA-N 1 0 398.272 4.465 20 0 GIADRO C[C@H](CC(=O)NCc1ccc(OCc2cccc(F)c2)cc1)[C@H]1CCC[NH2+]C1 ZINC000178389830 822374424 /nfs/dbraw/zinc/37/44/24/822374424.db2.gz FQEWQAMIMJBEMC-XLIONFOSSA-N 1 0 384.495 4.047 20 0 GIADRO C[C@H](NC(=O)N1CCSC[C@@H]1c1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182832333 822374808 /nfs/dbraw/zinc/37/48/08/822374808.db2.gz VWROXEGPARYMOR-FBBABVLZSA-N 1 0 387.593 4.139 20 0 GIADRO Cc1coc(-c2cc(NC(=O)N3CCC[N@@H+](C4CCCC4)CC3)ccc2C)n1 ZINC000178397817 822375106 /nfs/dbraw/zinc/37/51/06/822375106.db2.gz QBQZMXSOAPCYPA-UHFFFAOYSA-N 1 0 382.508 4.441 20 0 GIADRO COc1cc(CN2CC[C@H]([NH2+][C@H](C)c3ccc4ccccc4n3)C2)cc(OC)c1 ZINC000178411848 822376682 /nfs/dbraw/zinc/37/66/82/822376682.db2.gz NIJGJWCBUXISLI-XLIONFOSSA-N 1 0 391.515 4.177 20 0 GIADRO Cc1nccn1-c1ccc(C[NH2+][C@@H](C)c2cc(Br)ccc2F)cn1 ZINC000178412811 822377029 /nfs/dbraw/zinc/37/70/29/822377029.db2.gz QBNLBXSNNZTTAH-LBPRGKRZSA-N 1 0 389.272 4.328 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1cccc(OCC(F)(F)F)c1 ZINC000182846250 822377724 /nfs/dbraw/zinc/37/77/24/822377724.db2.gz MWGNJGPSPRCDBE-KXBFYZLASA-N 1 0 379.426 4.345 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@@H]1c1ccncc1)c1cccc(OC)c1 ZINC000045304858 822377856 /nfs/dbraw/zinc/37/78/56/822377856.db2.gz CDONKAMUIDVTDW-FGZHOGPDSA-N 1 0 396.535 4.020 20 0 GIADRO O=C(Nc1ccccc1OC(F)(F)F)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000178434259 822378661 /nfs/dbraw/zinc/37/86/61/822378661.db2.gz YFQWBANNWVXFTD-XJKSGUPXSA-N 1 0 383.414 4.066 20 0 GIADRO C[N@H+](Cc1ccc(OCc2ccncc2)cc1)Cc1ccc([S@@](C)=O)cc1 ZINC000178437022 822378910 /nfs/dbraw/zinc/37/89/10/822378910.db2.gz JLZDNWUMQVEBAD-HHHXNRCGSA-N 1 0 380.513 4.030 20 0 GIADRO C[C@H](NC(=O)Nc1ccc2oc(C3CC3)nc2c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182855402 822379548 /nfs/dbraw/zinc/37/95/48/822379548.db2.gz CBVAEHIWYHSPRZ-HOCLYGCPSA-N 1 0 382.508 4.480 20 0 GIADRO C[C@@H](NC(=O)Nc1ccc2oc(C3CC3)nc2c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182855382 822379560 /nfs/dbraw/zinc/37/95/60/822379560.db2.gz CBVAEHIWYHSPRZ-GDBMZVCRSA-N 1 0 382.508 4.480 20 0 GIADRO CCn1cnnc1-c1cccc(N[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000182858291 822380373 /nfs/dbraw/zinc/38/03/73/822380373.db2.gz UUUDXBNHPPQLGB-KRWDZBQOSA-N 1 0 379.508 4.079 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000178454943 822380526 /nfs/dbraw/zinc/38/05/26/822380526.db2.gz PVOCHEKXYUCGKK-IFXJQAMLSA-N 1 0 377.513 4.183 20 0 GIADRO C[C@@H](NC(=O)Nc1nnc(-c2ccsc2)s1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182860654 822380903 /nfs/dbraw/zinc/38/09/03/822380903.db2.gz FZYAOUMJTDKLEO-CHWSQXEVSA-N 1 0 391.566 4.041 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+][C@@H](C)C(=O)N1CCCCC1 ZINC000178463177 822381432 /nfs/dbraw/zinc/38/14/32/822381432.db2.gz SPJXAMIMSIQULJ-ZFWWWQNUSA-N 1 0 375.513 4.309 20 0 GIADRO Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+][C@H](C)C(=O)N1CCCCC1 ZINC000178463674 822381708 /nfs/dbraw/zinc/38/17/08/822381708.db2.gz NVPOJRIKKMICLB-UKRRQHHQSA-N 1 0 375.513 4.309 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCCc2nc(-c3ccccc3F)sc21)C(=O)N1CCCCC1 ZINC000178464538 822381734 /nfs/dbraw/zinc/38/17/34/822381734.db2.gz FTNALJHZBYUWEE-WMLDXEAASA-N 1 0 387.524 4.317 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(C)cc2F)cnn1-c1ccc(F)cc1 ZINC000182868336 822382611 /nfs/dbraw/zinc/38/26/11/822382611.db2.gz BVHHZQQRCKUWDA-LSDHHAIUSA-N 1 0 398.457 4.445 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)N1C[C@@H](C)C[C@H]1c1cccnc1 ZINC000182871706 822383286 /nfs/dbraw/zinc/38/32/86/822383286.db2.gz UIXDQXOXHGMHAA-AVRDEDQJSA-N 1 0 380.536 4.216 20 0 GIADRO COC(=O)c1ccc(CN[C@H](C)c2cnn(-c3ccc(F)cc3)c2C)c(F)c1 ZINC000182872046 822383386 /nfs/dbraw/zinc/38/33/86/822383386.db2.gz DLFLPMAMPKMOPP-CYBMUJFWSA-N 1 0 385.414 4.096 20 0 GIADRO CCSc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000178487833 822384304 /nfs/dbraw/zinc/38/43/04/822384304.db2.gz MBYVYKICDFHROW-JKSUJKDBSA-N 1 0 392.590 4.461 20 0 GIADRO CSc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1F ZINC000178487820 822384470 /nfs/dbraw/zinc/38/44/70/822384470.db2.gz ILJWTALOWNTFTM-ZIAGYGMSSA-N 1 0 396.553 4.210 20 0 GIADRO CSc1ccc(NC(=O)C[NH2+][C@H](C)c2cnn(-c3ccc(F)cc3)c2C)cc1 ZINC000182878654 822384659 /nfs/dbraw/zinc/38/46/59/822384659.db2.gz LFJRSIUENGUWNQ-CQSZACIVSA-N 1 0 398.507 4.331 20 0 GIADRO C[C@@H]1C[C@H](c2cccnc2)N(C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)C1 ZINC000182879109 822384694 /nfs/dbraw/zinc/38/46/94/822384694.db2.gz PFIUDUGMQSLWGW-XMSQKQJNSA-N 1 0 392.547 4.011 20 0 GIADRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+][C@@H](C)CN1CCCC1=O ZINC000178493647 822385039 /nfs/dbraw/zinc/38/50/39/822385039.db2.gz FRHOQAJUBFQFLO-STQMWFEESA-N 1 0 377.941 4.433 20 0 GIADRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+][C@H](C)CN1CCCC1=O ZINC000178493658 822385120 /nfs/dbraw/zinc/38/51/20/822385120.db2.gz FRHOQAJUBFQFLO-CHWSQXEVSA-N 1 0 377.941 4.433 20 0 GIADRO Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182885158 822385645 /nfs/dbraw/zinc/38/56/45/822385645.db2.gz ZKZYHESAGPJOAU-MAUKXSAKSA-N 1 0 398.526 4.011 20 0 GIADRO Cc1nn(-c2cc[nH+]cc2)cc1CNc1ccccc1OC[C@H]1CCCCO1 ZINC000453568055 822385706 /nfs/dbraw/zinc/38/57/06/822385706.db2.gz INZQHGKVXPZBNN-HXUWFJFHSA-N 1 0 378.476 4.136 20 0 GIADRO Cc1cc(Br)c(C[NH2+]Cc2ccc(C)cc2N2CCOCC2)s1 ZINC000453572820 822386174 /nfs/dbraw/zinc/38/61/74/822386174.db2.gz ONGDWWJTYWHKPY-UHFFFAOYSA-N 1 0 395.366 4.254 20 0 GIADRO Cc1nc(-c2cccs2)sc1C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000045416642 822386626 /nfs/dbraw/zinc/38/66/26/822386626.db2.gz ZJTXIBOYNPEMNR-UHFFFAOYSA-N 1 0 398.557 4.184 20 0 GIADRO CC(C)c1noc(CCC[NH2+][C@@H](C)CC(=O)Nc2ccccc2C(F)(F)F)n1 ZINC000178513843 822386744 /nfs/dbraw/zinc/38/67/44/822386744.db2.gz YDQFRJBZWBQSBD-ZDUSSCGKSA-N 1 0 398.429 4.151 20 0 GIADRO CC(C)c1noc(CCC[NH2+][C@@H]2CCCOc3cc(Br)ccc32)n1 ZINC000178516762 822386925 /nfs/dbraw/zinc/38/69/25/822386925.db2.gz JKQDZLWBFJXEST-OAHLLOKOSA-N 1 0 394.313 4.392 20 0 GIADRO CC(C)c1noc(CCC[NH2+][C@H](C)c2ccc(I)cc2)n1 ZINC000178517129 822387133 /nfs/dbraw/zinc/38/71/33/822387133.db2.gz CHVQBFKXRLYJBS-GFCCVEGCSA-N 1 0 399.276 4.081 20 0 GIADRO CC(C)c1nnc2n1C[C@@H](Nc1cc[nH+]c3cc(C(F)(F)F)ccc13)CC2 ZINC000178518416 822387175 /nfs/dbraw/zinc/38/71/75/822387175.db2.gz ZAXQJVXLVMLLRG-ZDUSSCGKSA-N 1 0 375.398 4.395 20 0 GIADRO COCCCOc1cccc(C[NH+]2CCC3(CC2)OCCc2ccccc23)c1 ZINC000453579805 822387746 /nfs/dbraw/zinc/38/77/46/822387746.db2.gz WLAKRIMNLZRFQH-UHFFFAOYSA-N 1 0 381.516 4.166 20 0 GIADRO C[C@@H]([NH2+]CCCc1nnc2n1CCCCC2)[C@@H](C)c1nc2ccccc2s1 ZINC000178526328 822388134 /nfs/dbraw/zinc/38/81/34/822388134.db2.gz XCNNTZNCQYFNFQ-HZPDHXFCSA-N 1 0 383.565 4.329 20 0 GIADRO Cc1cc(Br)c(CNc2ccc(NC(=O)CC[NH+](C)C)cc2)s1 ZINC000453582324 822388131 /nfs/dbraw/zinc/38/81/31/822388131.db2.gz MCXKEPCDYGSZCP-UHFFFAOYSA-N 1 0 396.354 4.321 20 0 GIADRO C[C@H]([NH2+]CCCc1nnc2n1CCCCC2)c1cc(Br)ccc1F ZINC000178526965 822388154 /nfs/dbraw/zinc/38/81/54/822388154.db2.gz ZTMYBJVMHWVDPM-ZDUSSCGKSA-N 1 0 395.320 4.190 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+]CCCc2nnc3n2CCCCC3)cc1OCC ZINC000178528991 822388236 /nfs/dbraw/zinc/38/82/36/822388236.db2.gz SAAGAIQMZFVGNN-KRWDZBQOSA-N 1 0 386.540 4.085 20 0 GIADRO CC(=O)N(c1nc(C[NH2+]C[C@H]2CCOC(C)(C)C2)cs1)c1ccc(C)cc1 ZINC000453586742 822388976 /nfs/dbraw/zinc/38/89/76/822388976.db2.gz VTWHLFJBWIXCBP-KRWDZBQOSA-N 1 0 387.549 4.431 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(C(F)(F)F)nc1Cl)c1ccco1 ZINC000178549210 822390711 /nfs/dbraw/zinc/39/07/11/822390711.db2.gz GSSDETXTWWOUEQ-LBPRGKRZSA-N 1 0 389.805 4.160 20 0 GIADRO CC(C)[N@@H+]1CCc2nc(CN[C@@H](c3ccccc3)C3(CO)CCCC3)sc2C1 ZINC000453597033 822390862 /nfs/dbraw/zinc/39/08/62/822390862.db2.gz BCYYQKGJHJBCFQ-QFIPXVFZSA-N 1 0 399.604 4.293 20 0 GIADRO O=C(C[NH2+][C@H](CO)c1ccccc1)Nc1ccccc1Sc1ccccc1 ZINC000182911800 822391298 /nfs/dbraw/zinc/39/12/98/822391298.db2.gz HJHMCZXZWFMODZ-HXUWFJFHSA-N 1 0 378.497 4.100 20 0 GIADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)C1 ZINC000178553428 822391312 /nfs/dbraw/zinc/39/13/12/822391312.db2.gz LIMDBZHVJBSLLQ-QGZVFWFLSA-N 1 0 389.540 4.131 20 0 GIADRO Cc1cc(Br)c(C[NH+]2CCC(OCCOC(C)C)CC2)s1 ZINC000453602280 822391565 /nfs/dbraw/zinc/39/15/65/822391565.db2.gz SUZHLVFUOCIBEP-UHFFFAOYSA-N 1 0 376.360 4.225 20 0 GIADRO C[C@H](NC(=O)N1CCC[C@@H]1Cc1cccc(F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182913343 822391548 /nfs/dbraw/zinc/39/15/48/822391548.db2.gz GBZRNUIPNPSWGA-LRXVAGHRSA-N 1 0 387.543 4.195 20 0 GIADRO CCC(C)(C)OCC[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000453611304 822392769 /nfs/dbraw/zinc/39/27/69/822392769.db2.gz HMWHBUPMLLISQW-UHFFFAOYSA-N 1 0 378.520 4.288 20 0 GIADRO C[C@H](c1ccccc1Cl)N(C)C(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000453612306 822393085 /nfs/dbraw/zinc/39/30/85/822393085.db2.gz JCWLAQKLWLKVST-JLTOFOAXSA-N 1 0 399.922 4.047 20 0 GIADRO FC(F)(F)CC[NH+]1CCC(Nc2ccc3c(c2)CN(CC(F)(F)F)C3)CC1 ZINC000453612846 822393119 /nfs/dbraw/zinc/39/31/19/822393119.db2.gz KFPVNSXSMSAAJU-UHFFFAOYSA-N 1 0 395.391 4.393 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC000045528604 822393641 /nfs/dbraw/zinc/39/36/41/822393641.db2.gz QCECKXGEPKIORF-UHFFFAOYSA-N 1 0 382.895 4.134 20 0 GIADRO COC(=O)[C@@H](C)Oc1ccc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCCC2)cc1 ZINC000453616334 822393683 /nfs/dbraw/zinc/39/36/83/822393683.db2.gz NQXLYTZWIJJBDP-GCJKJVERSA-N 1 0 397.515 4.011 20 0 GIADRO Cc1ccc(C[C@H](CO)[NH2+]Cc2csc(COc3ccccc3)n2)cc1C ZINC000453625570 822395150 /nfs/dbraw/zinc/39/51/50/822395150.db2.gz KMVQITUCGFITSN-LJQANCHMSA-N 1 0 382.529 4.032 20 0 GIADRO COc1cc(F)c([C@@H](C)[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)cc1OC ZINC000178600730 822395512 /nfs/dbraw/zinc/39/55/12/822395512.db2.gz YVIDMKGPAQHDNH-WLYUNCDWSA-N 1 0 396.503 4.329 20 0 GIADRO C[C@@H](NC(=O)N(Cc1ccccc1)CC(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182934709 822395743 /nfs/dbraw/zinc/39/57/43/822395743.db2.gz CDHDWKDSCBLHOK-AEFFLSMTSA-N 1 0 379.495 4.116 20 0 GIADRO C[C@@](O)(C[NH2+][C@H]1CCCOc2ccc(Br)cc21)c1cccs1 ZINC000178605380 822395829 /nfs/dbraw/zinc/39/58/29/822395829.db2.gz JMVXQHYSICGVBF-WMLDXEAASA-N 1 0 382.323 4.222 20 0 GIADRO CCOc1cc(C[NH2+]C[C@H]2CC[C@H](C)O2)cc(Br)c1OC(F)F ZINC000453635408 822396280 /nfs/dbraw/zinc/39/62/80/822396280.db2.gz UVSBMPPNKJJFMD-CMPLNLGQSA-N 1 0 394.256 4.106 20 0 GIADRO Cc1cc(N2CCC([NH2+]Cc3ccc(-c4ccc(F)cc4)o3)CC2)nc(C)n1 ZINC000178615617 822396378 /nfs/dbraw/zinc/39/63/78/822396378.db2.gz SLHVAXJUJWXDCI-UHFFFAOYSA-N 1 0 380.467 4.251 20 0 GIADRO C[C@@H]([NH2+]C[C@H](O)COc1cccc(C(F)(F)F)c1)c1ccc2ccccc2n1 ZINC000178621421 822396974 /nfs/dbraw/zinc/39/69/74/822396974.db2.gz OQYBGLPACFYQHC-PBHICJAKSA-N 1 0 390.405 4.344 20 0 GIADRO COc1cc(NC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(OC)cc1Cl ZINC000182949337 822398482 /nfs/dbraw/zinc/39/84/82/822398482.db2.gz OUQHFXQAVWLTQM-KBPBESRZSA-N 1 0 395.931 4.132 20 0 GIADRO Cc1cc(C)cc([C@H](C)[NH2+]CC(=O)N[C@H](c2nccs2)c2ccccc2)c1 ZINC000182949859 822398528 /nfs/dbraw/zinc/39/85/28/822398528.db2.gz FJOASZLRHYEXDB-UWJYYQICSA-N 1 0 379.529 4.316 20 0 GIADRO CC1(C)C[C@@H]([NH2+]Cc2cccc(C(=O)NC[C@H]3CCCO3)c2)c2ccccc21 ZINC000178639966 822398739 /nfs/dbraw/zinc/39/87/39/822398739.db2.gz WJLMOTNSQGNJIU-DENIHFKCSA-N 1 0 378.516 4.108 20 0 GIADRO Cc1c2cc(F)ccc2oc1C[NH2+][C@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000178641938 822398888 /nfs/dbraw/zinc/39/88/88/822398888.db2.gz QPAULANMTBDUIH-CYBMUJFWSA-N 1 0 376.453 4.103 20 0 GIADRO OCC[C@H](C[NH2+][C@H]1CCCOc2ccc(Br)cc21)c1ccccc1 ZINC000178644663 822399124 /nfs/dbraw/zinc/39/91/24/822399124.db2.gz RVTZZFLTSBDMQW-APWZRJJASA-N 1 0 390.321 4.419 20 0 GIADRO COC[C@H]([NH2+]Cc1cccc(COC2CCOCC2)c1)c1ccc(F)c(F)c1 ZINC000182956357 822399669 /nfs/dbraw/zinc/39/96/69/822399669.db2.gz XXKCLZBVJYHWOH-QFIPXVFZSA-N 1 0 391.458 4.138 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]C[C@H](O)COCc1ccccc1 ZINC000178654195 822399820 /nfs/dbraw/zinc/39/98/20/822399820.db2.gz MKCBNKUOWWGPRI-JXFKEZNVSA-N 1 0 382.529 4.347 20 0 GIADRO COc1ccc2cc([C@@H](C)[NH2+]Cc3ccccc3CS(C)(=O)=O)ccc2c1 ZINC000178661977 822400622 /nfs/dbraw/zinc/40/06/22/822400622.db2.gz NDTPTHWVVUZSDJ-MRXNPFEDSA-N 1 0 383.513 4.244 20 0 GIADRO CS(=O)(=O)Cc1ccccc1C[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000178662473 822400783 /nfs/dbraw/zinc/40/07/83/822400783.db2.gz QZRGHXLQMKWJFZ-HSZRJFAPSA-N 1 0 379.525 4.305 20 0 GIADRO C[C@H]([NH3+])CCNC(=O)c1ccccc1SCc1ccc(Br)cc1 ZINC000178664419 822400953 /nfs/dbraw/zinc/40/09/53/822400953.db2.gz SMBABSMCJIHEQA-ZDUSSCGKSA-N 1 0 393.350 4.209 20 0 GIADRO CC[C@@H](C)N(Cc1ccccc1)C(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000453698234 822401474 /nfs/dbraw/zinc/40/14/74/822401474.db2.gz XMODCPBPEHBYMQ-VGOFRKELSA-N 1 0 393.531 4.001 20 0 GIADRO C[C@](O)(C[NH2+][C@@H]1CCCOc2ccc(Br)cc21)c1ccsc1 ZINC000178674675 822401834 /nfs/dbraw/zinc/40/18/34/822401834.db2.gz OCFHDRMXXIJRTK-WBVHZDCISA-N 1 0 382.323 4.222 20 0 GIADRO CCOc1ccc(NC(=O)CC[NH+]2CCC(OCc3ccccc3)CC2)cc1 ZINC000178686395 822402941 /nfs/dbraw/zinc/40/29/41/822402941.db2.gz HYXCTSHNMXEVOG-UHFFFAOYSA-N 1 0 382.504 4.095 20 0 GIADRO CCOc1ccc2c(c1)[C@@H]([NH2+]Cc1cc(Cl)c3c(c1)OCCO3)CCO2 ZINC000178695648 822403671 /nfs/dbraw/zinc/40/36/71/822403671.db2.gz LPWDCZXKQYXCSB-KRWDZBQOSA-N 1 0 375.852 4.123 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1)c1ccc(N2CCCC2=O)cc1 ZINC000178722168 822405443 /nfs/dbraw/zinc/40/54/43/822405443.db2.gz XYHLIMFAKAXSOL-IAGOWNOFSA-N 1 0 393.487 4.182 20 0 GIADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000045692814 822405650 /nfs/dbraw/zinc/40/56/50/822405650.db2.gz KZJWUEFGHARYMY-QGZVFWFLSA-N 1 0 385.499 4.029 20 0 GIADRO O=C(NC[C@H]1CCC[NH2+]1)c1oc2ccccc2c1COc1ccccc1Cl ZINC000178731087 822406183 /nfs/dbraw/zinc/40/61/83/822406183.db2.gz PYDOCYLWNXQRQS-CQSZACIVSA-N 1 0 384.863 4.147 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+][C@H]1CCCN(CC(F)(F)F)C1=O ZINC000178741243 822406591 /nfs/dbraw/zinc/40/65/91/822406591.db2.gz KEHJAKZVZZKHMN-DOMZBBRYSA-N 1 0 397.466 4.322 20 0 GIADRO C[NH+](C)[C@@H](CNC(=S)Nc1cccc(Br)c1)c1ccsc1 ZINC000045710412 822407046 /nfs/dbraw/zinc/40/70/46/822407046.db2.gz UFNOJLASMNMZLX-AWEZNQCLSA-N 1 0 384.368 4.100 20 0 GIADRO Cc1ccc(SCCNC(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)cc1 ZINC000178761944 822407853 /nfs/dbraw/zinc/40/78/53/822407853.db2.gz BLGMAKHXKDBWEZ-GOSISDBHSA-N 1 0 398.576 4.007 20 0 GIADRO Cc1c([C@@H](C)[NH2+]CC(=O)Nc2cc(C)ccc2C)cnn1-c1ccc(F)cc1 ZINC000183001754 822408977 /nfs/dbraw/zinc/40/89/77/822408977.db2.gz GOCRPGATLAGWNI-MRXNPFEDSA-N 1 0 380.467 4.226 20 0 GIADRO CCn1c2ccccc2c2cc(NC(=O)[C@H](C)[N@H+](C)C[C@@H]3CCOC3)ccc21 ZINC000178781432 822409412 /nfs/dbraw/zinc/40/94/12/822409412.db2.gz DHQTYZXWZSLBIP-IRXDYDNUSA-N 1 0 379.504 4.110 20 0 GIADRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)cc1 ZINC000183003240 822409441 /nfs/dbraw/zinc/40/94/41/822409441.db2.gz YVIJNNAIYWBERM-GJZGRUSLSA-N 1 0 396.466 4.006 20 0 GIADRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cnn(-c3ccc(F)cc3)c2C)cc1 ZINC000183003261 822409443 /nfs/dbraw/zinc/40/94/43/822409443.db2.gz YVIJNNAIYWBERM-HUUCEWRRSA-N 1 0 396.466 4.006 20 0 GIADRO Cc1nccn1CCCC[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000178784877 822409579 /nfs/dbraw/zinc/40/95/79/822409579.db2.gz LFZZVKHXRHAJRI-KRWDZBQOSA-N 1 0 378.314 4.238 20 0 GIADRO COC(=O)c1cc(C[NH2+][C@H](C)c2cnn(-c3ccc(F)cc3)c2C)c(C)s1 ZINC000183006305 822410003 /nfs/dbraw/zinc/41/00/03/822410003.db2.gz CDAPFIJKYFOEDK-GFCCVEGCSA-N 1 0 387.480 4.327 20 0 GIADRO CCCOc1ccc([C@@H](C)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)cc1 ZINC000183007636 822410305 /nfs/dbraw/zinc/41/03/05/822410305.db2.gz KSFAGKWQOUIKRD-VGOFRKELSA-N 1 0 381.520 4.098 20 0 GIADRO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000045754921 822410615 /nfs/dbraw/zinc/41/06/15/822410615.db2.gz FQXIAKCGLWNHBU-KRWDZBQOSA-N 1 0 392.503 4.195 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)N(C)Cc2ccccc2Cl)CC1 ZINC000045757942 822410994 /nfs/dbraw/zinc/41/09/94/822410994.db2.gz GXPHVEMEZZANRM-UHFFFAOYSA-N 1 0 385.939 4.454 20 0 GIADRO Cc1ccc(-c2csc(NC(=O)[C@@H](C)N3CC[NH+](C4CCCC4)CC3)n2)cc1 ZINC000045768679 822411645 /nfs/dbraw/zinc/41/16/45/822411645.db2.gz SRAYJTTYGRCZCG-QGZVFWFLSA-N 1 0 398.576 4.006 20 0 GIADRO Cc1nn(C)cc1[C@H](C)[NH2+][C@H](C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000178802184 822411690 /nfs/dbraw/zinc/41/16/90/822411690.db2.gz ZZDNKEOYNJDEBI-VKJFTORMSA-N 1 0 375.488 4.227 20 0 GIADRO C[C@H]([NH3+])C1CCN(C(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)CC1 ZINC000178805026 822412223 /nfs/dbraw/zinc/41/22/23/822412223.db2.gz MGCFSPFQTIMGBK-JTQLQIEISA-N 1 0 384.332 4.316 20 0 GIADRO C[N@H+](CCC(=O)Nc1cccc2ccccc21)Cc1ccc([S@](C)=O)cc1 ZINC000178807856 822412372 /nfs/dbraw/zinc/41/23/72/822412372.db2.gz OBVKQYVSABRHQR-MHZLTWQESA-N 1 0 380.513 4.038 20 0 GIADRO CCN(Cc1ccncc1)C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000045776890 822412394 /nfs/dbraw/zinc/41/23/94/822412394.db2.gz BOXGYDPSFYSWLC-UHFFFAOYSA-N 1 0 380.536 4.045 20 0 GIADRO CC[C@@H]([NH2+]C1c2ccccc2-c2ccccc21)c1cccc(S(N)(=O)=O)c1 ZINC000183020401 822412451 /nfs/dbraw/zinc/41/24/51/822412451.db2.gz PTZYHLOVHISQSH-OAQYLSRUSA-N 1 0 378.497 4.145 20 0 GIADRO C[C@@H]([NH3+])C1CCN(C(=O)CCN2c3ccccc3Sc3ccccc32)CC1 ZINC000178809624 822412673 /nfs/dbraw/zinc/41/26/73/822412673.db2.gz CIEHBCWRMSTLOQ-MRXNPFEDSA-N 1 0 381.545 4.265 20 0 GIADRO CCN(Cc1ccncc1)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000045779253 822412651 /nfs/dbraw/zinc/41/26/51/822412651.db2.gz KFJYEJLMPAGCCN-LJQANCHMSA-N 1 0 380.536 4.188 20 0 GIADRO COc1ccc(C(=O)N(CC[NH+](C)C)C2CCCCC2)cc1-c1ccccn1 ZINC000178816953 822413294 /nfs/dbraw/zinc/41/32/94/822413294.db2.gz VLUWCIXNCOLPMB-UHFFFAOYSA-N 1 0 381.520 4.094 20 0 GIADRO C[NH+](C)CCOc1ccc(CNC(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000045793781 822414369 /nfs/dbraw/zinc/41/43/69/822414369.db2.gz AFFYSYFEAWCHJL-UHFFFAOYSA-N 1 0 382.291 4.256 20 0 GIADRO COC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)c1ccc(F)c(F)c1 ZINC000183035301 822415258 /nfs/dbraw/zinc/41/52/58/822415258.db2.gz PUEZQBNJBLHKCQ-IYHXRUFHSA-N 1 0 396.478 4.172 20 0 GIADRO CSc1cccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)c1 ZINC000045812891 822415674 /nfs/dbraw/zinc/41/56/74/822415674.db2.gz PGGZHPFEJLOWEG-HUUCEWRRSA-N 1 0 397.544 4.435 20 0 GIADRO Cc1cc(C)cc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)c1 ZINC000045812870 822415712 /nfs/dbraw/zinc/41/57/12/822415712.db2.gz JFINNMIMMSRUAO-DLBZAZTESA-N 1 0 379.504 4.330 20 0 GIADRO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)c(F)c1 ZINC000045813291 822415899 /nfs/dbraw/zinc/41/58/99/822415899.db2.gz SHHGMQFVEURCMA-HUUCEWRRSA-N 1 0 383.467 4.160 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1cccc(OCc2cscn2)c1 ZINC000183044041 822416650 /nfs/dbraw/zinc/41/66/50/822416650.db2.gz HMHGRQHASKWXMV-JTSKRJEESA-N 1 0 394.544 4.440 20 0 GIADRO CCOC(=O)CC[C@H]1CCC[N@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000178854185 822416704 /nfs/dbraw/zinc/41/67/04/822416704.db2.gz HCTVRWZWUAAVIB-LJQANCHMSA-N 1 0 382.504 4.216 20 0 GIADRO CNC(=O)c1cccc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)c1 ZINC000045822481 822416829 /nfs/dbraw/zinc/41/68/29/822416829.db2.gz MANWERUMPATSPP-UHFFFAOYSA-N 1 0 396.494 4.189 20 0 GIADRO C[C@H]([NH3+])C1CCN(C(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)CC1 ZINC000178869110 822417684 /nfs/dbraw/zinc/41/76/84/822417684.db2.gz JZHHFZVYHTWWHE-LBPRGKRZSA-N 1 0 394.302 4.380 20 0 GIADRO C[C@H]([NH3+])C1CCN(C(=O)c2cc(-c3ccccc3)nc3cc(F)ccc32)CC1 ZINC000178868802 822417765 /nfs/dbraw/zinc/41/77/65/822417765.db2.gz ZGAGPHOKEYYVFX-HNNXBMFYSA-N 1 0 377.463 4.240 20 0 GIADRO CCCN(C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1)[C@H]1CC[NH2+]C1 ZINC000178884843 822418988 /nfs/dbraw/zinc/41/89/88/822418988.db2.gz ZBXLJOYEORFDGV-LBPRGKRZSA-N 1 0 384.332 4.331 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1ccccc1NC(=O)c1cccs1)c1cccs1 ZINC000045853716 822419128 /nfs/dbraw/zinc/41/91/28/822419128.db2.gz RKRLRSWMKXROHD-INIZCTEOSA-N 1 0 399.541 4.095 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1cccc(OCc2cccnc2)c1 ZINC000183065959 822419544 /nfs/dbraw/zinc/41/95/44/822419544.db2.gz CDACVJJCZSVRSS-DVECYGJZSA-N 1 0 388.515 4.378 20 0 GIADRO Cc1cc(NC(=O)C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)cc(C)c1Cl ZINC000453944567 822419876 /nfs/dbraw/zinc/41/98/76/822419876.db2.gz KEHGYGQPGALTAF-SFHVURJKSA-N 1 0 385.895 4.083 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)c2cc3cc(F)ccc3s2)CC1 ZINC000045865233 822420038 /nfs/dbraw/zinc/42/00/38/822420038.db2.gz ADZWBNFZEUSBSL-UHFFFAOYSA-N 1 0 383.492 4.435 20 0 GIADRO C[C@@H](Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccc2c(c1)OCCCO2 ZINC000183077419 822421614 /nfs/dbraw/zinc/42/16/14/822421614.db2.gz HCSIFNMBIRSGRN-GOSISDBHSA-N 1 0 396.531 4.225 20 0 GIADRO CCCCN(C)C(=O)C1CC[NH+](Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC000178918877 822421712 /nfs/dbraw/zinc/42/17/12/822421712.db2.gz UBMYFPREOJUTQM-UHFFFAOYSA-N 1 0 388.552 4.112 20 0 GIADRO CCc1nc2c(s1)[C@@H](Nc1cccc(C[NH+]3CCC(CO)CC3)c1)CCC2 ZINC000183081901 822422237 /nfs/dbraw/zinc/42/22/37/822422237.db2.gz JQLIXUGMKZDELH-IBGZPJMESA-N 1 0 385.577 4.399 20 0 GIADRO CCc1nc2c(s1)[C@H](Nc1cccc(C[NH+]3CCC(CO)CC3)c1)CCC2 ZINC000183081883 822422238 /nfs/dbraw/zinc/42/22/38/822422238.db2.gz JQLIXUGMKZDELH-LJQANCHMSA-N 1 0 385.577 4.399 20 0 GIADRO C[NH+](C)CC1CCC(NC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000178929419 822422342 /nfs/dbraw/zinc/42/23/42/822422342.db2.gz HUISTJVVNIUTCP-UHFFFAOYSA-N 1 0 375.847 4.183 20 0 GIADRO C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)[C@@H]3CCCC(C)(C)C3)cc2)CC1 ZINC000178940176 822423328 /nfs/dbraw/zinc/42/33/28/822423328.db2.gz ZNWQHGJGBDWPJU-MRXNPFEDSA-N 1 0 386.540 4.057 20 0 GIADRO O=C(NCC[C@@H]1CC[NH2+]C1)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1 ZINC000178939240 822423384 /nfs/dbraw/zinc/42/33/84/822423384.db2.gz FWFSPGXYOZCHBK-ZDUSSCGKSA-N 1 0 380.385 4.241 20 0 GIADRO CC[C@H](NC(=O)C(=O)Nc1cccc2c1C[N@@H+]([C@H](C)C(C)C)C2)C1CCCC1 ZINC000454030640 822423748 /nfs/dbraw/zinc/42/37/48/822423748.db2.gz LXCIFKGJXLUYMY-UZLBHIALSA-N 1 0 385.552 4.070 20 0 GIADRO C[NH2+]C[C@H]1CCN(C(=O)c2cc(F)ccc2-c2cccc(C(F)(F)F)c2)C1 ZINC000178965629 822425252 /nfs/dbraw/zinc/42/52/52/822425252.db2.gz PEYCGHOCEFRCLT-CYBMUJFWSA-N 1 0 380.385 4.193 20 0 GIADRO CC(C)c1ccc(-c2noc(CCC(=O)NCC[C@@H](C)[NH+]3CCCCC3)n2)cc1 ZINC000183109438 822425570 /nfs/dbraw/zinc/42/55/70/822425570.db2.gz MTOVVKLCPKUPQW-GOSISDBHSA-N 1 0 398.551 4.173 20 0 GIADRO CC[C@H](C)C(=O)Nc1cccc(CNC(=O)c2ccc(C[NH+](CC)CC)cc2)c1 ZINC000045940682 822425846 /nfs/dbraw/zinc/42/58/46/822425846.db2.gz OUPCRDPXDRXMJV-SFHVURJKSA-N 1 0 395.547 4.443 20 0 GIADRO Cc1csc(C2([NH2+]C[C@H](O)CO[C@@H]3CCCc4ccccc43)CCCC2)n1 ZINC000178990320 822426880 /nfs/dbraw/zinc/42/68/80/822426880.db2.gz JSAPLRLRYPKNRJ-AZUAARDMSA-N 1 0 386.561 4.266 20 0 GIADRO C[C@H](CCNC(=O)c1cccc(NC(=O)OC(C)(C)C)c1)[NH+]1CCCCC1 ZINC000183120792 822427371 /nfs/dbraw/zinc/42/73/71/822427371.db2.gz MYKJAFDFWTZFNQ-MRXNPFEDSA-N 1 0 375.513 4.028 20 0 GIADRO O[C@H](C[NH+]1CCC(OCc2ccccc2)CC1)c1ccccc1Br ZINC000178997965 822427957 /nfs/dbraw/zinc/42/79/57/822427957.db2.gz SFUMLKTWYLSJFW-HXUWFJFHSA-N 1 0 390.321 4.164 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000045979920 822429153 /nfs/dbraw/zinc/42/91/53/822429153.db2.gz OTWIQOBNIKHZIS-QGZVFWFLSA-N 1 0 394.519 4.199 20 0 GIADRO C[N@@H+](Cc1cccc2cnccc21)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000183140917 822430047 /nfs/dbraw/zinc/43/00/47/822430047.db2.gz VJZDNUUPCWSTGU-SFHVURJKSA-N 1 0 390.405 4.125 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000179014505 822430130 /nfs/dbraw/zinc/43/01/30/822430130.db2.gz WORKIELHLIGYHY-RBBKRZOGSA-N 1 0 389.503 4.056 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cc(F)ccc2F)cc1 ZINC000183142912 822430563 /nfs/dbraw/zinc/43/05/63/822430563.db2.gz RBFIDHNVMQZFMT-KGLIPLIRSA-N 1 0 384.430 4.137 20 0 GIADRO C[NH2+]C[C@@H]1CCN(C(=O)c2cc(-c3ccccc3Cl)nc3ccccc32)C1 ZINC000179020434 822430825 /nfs/dbraw/zinc/43/08/25/822430825.db2.gz IGPUNVDAEVKVGD-HNNXBMFYSA-N 1 0 379.891 4.237 20 0 GIADRO COC1CCC([NH2+]CC2(c3ccc(Br)cc3)CCOCC2)CC1 ZINC000183146222 822431014 /nfs/dbraw/zinc/43/10/14/822431014.db2.gz QSJGJGGMBUPPCB-UHFFFAOYSA-N 1 0 382.342 4.045 20 0 GIADRO COC1CCC([NH2+]C[C@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)CC1 ZINC000183154524 822432674 /nfs/dbraw/zinc/43/26/74/822432674.db2.gz CKSOYHJISUSTKO-SOAGJPPSSA-N 1 0 380.960 4.039 20 0 GIADRO CN(CCc1nccs1)C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000179042439 822432759 /nfs/dbraw/zinc/43/27/59/822432759.db2.gz BZEMDCFNSATHII-UHFFFAOYSA-N 1 0 379.529 4.090 20 0 GIADRO Cc1cc(C[NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)c(OC(F)F)cc1C ZINC000179050298 822433482 /nfs/dbraw/zinc/43/34/82/822433482.db2.gz UOQZFHSVZONCOA-GOSISDBHSA-N 1 0 388.458 4.043 20 0 GIADRO O=C1C[C@@H](C[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)CN1Cc1ccccc1 ZINC000179054221 822433917 /nfs/dbraw/zinc/43/39/17/822433917.db2.gz VCLNMMQZJXMFIS-SFHVURJKSA-N 1 0 378.447 4.224 20 0 GIADRO CCc1ccc(Cl)c(CC)c1NC(=O)CCC[N@@H+]1CCC[C@@H]1C[C@@H](C)O ZINC000179072950 822435542 /nfs/dbraw/zinc/43/55/42/822435542.db2.gz RCPKPLYOJZCAMF-NVXWUHKLSA-N 1 0 380.960 4.419 20 0 GIADRO COCc1ccccc1NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000046032871 822437113 /nfs/dbraw/zinc/43/71/13/822437113.db2.gz XPOHDACXVDHORJ-UHFFFAOYSA-N 1 0 387.911 4.273 20 0 GIADRO COCc1ccccc1NC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000046033040 822437362 /nfs/dbraw/zinc/43/73/62/822437362.db2.gz RZJIXHSTZRUTPE-HXUWFJFHSA-N 1 0 387.911 4.445 20 0 GIADRO Cc1cccc(C)c1NC(=O)[C@@H](C)[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000183187834 822437859 /nfs/dbraw/zinc/43/78/59/822437859.db2.gz LKHGEASGEVSFQO-OAHLLOKOSA-N 1 0 394.441 4.183 20 0 GIADRO O=C(c1nc2cc(Cl)ccc2s1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000454208215 822439090 /nfs/dbraw/zinc/43/90/90/822439090.db2.gz LWMXWDOSPGZNPP-BLLLJJGKSA-N 1 0 375.925 4.039 20 0 GIADRO Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000179112292 822439266 /nfs/dbraw/zinc/43/92/66/822439266.db2.gz CTIVLXFTYFPVRE-OAHLLOKOSA-N 1 0 378.586 4.152 20 0 GIADRO Cc1c([C@H](C)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)nnn1-c1ccc(F)cc1 ZINC000183194001 822439428 /nfs/dbraw/zinc/43/94/28/822439428.db2.gz KMSZGTJGZTWIIU-SOLBZPMBSA-N 1 0 385.531 4.018 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)COc1cccc(Cl)c1Cl)c1ccc(Cl)nc1 ZINC000179113191 822439718 /nfs/dbraw/zinc/43/97/18/822439718.db2.gz AHBSPAVALRGLEY-ZYHUDNBSSA-N 1 0 375.683 4.132 20 0 GIADRO Cc1nc(-c2ccccc2Br)sc1[C@@H](C)[NH2+]CC(C)(C)C(N)=O ZINC000183201740 822440588 /nfs/dbraw/zinc/44/05/88/822440588.db2.gz BXNURFRWKUDGMM-SNVBAGLBSA-N 1 0 396.354 4.043 20 0 GIADRO Cc1ccc(-c2ccc(C(=O)N3CCC(OCC[NH+]4CCCC4)CC3)s2)o1 ZINC000183223414 822444067 /nfs/dbraw/zinc/44/40/67/822444067.db2.gz XMPPKTMNWCWNIC-UHFFFAOYSA-N 1 0 388.533 4.034 20 0 GIADRO C[C@H]1CN(C(=O)Nc2ccccc2N2CCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000454262793 822445696 /nfs/dbraw/zinc/44/56/96/822445696.db2.gz JHYPXAMXLJNPTF-HXUWFJFHSA-N 1 0 392.547 4.273 20 0 GIADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(-c3ccccn3)ccc2Cl)C1 ZINC000179191086 822448991 /nfs/dbraw/zinc/44/89/91/822448991.db2.gz MLJQSZVFBDORDD-KRWDZBQOSA-N 1 0 385.939 4.500 20 0 GIADRO C[C@H](NCCC[N@@H+]1CCc2ccccc2C1)c1ncc(Br)s1 ZINC000179198242 822449779 /nfs/dbraw/zinc/44/97/79/822449779.db2.gz CCHNTZXYKINPMQ-ZDUSSCGKSA-N 1 0 380.355 4.005 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)N3CC(C)(C)[C@@H]4CCC[C@H]43)c(C)c2)CC1 ZINC000454280309 822449857 /nfs/dbraw/zinc/44/98/57/822449857.db2.gz ZUZCWJMMDBLYGI-TZIWHRDSSA-N 1 0 384.568 4.179 20 0 GIADRO Cc1cc(F)ccc1[C@@H]1CCCN1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000454282690 822450577 /nfs/dbraw/zinc/45/05/77/822450577.db2.gz VIESLEMNPPLWIW-QFIPXVFZSA-N 1 0 396.510 4.040 20 0 GIADRO C[C@@H](NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1ncc(Br)s1 ZINC000179207706 822451160 /nfs/dbraw/zinc/45/11/60/822451160.db2.gz SQWRSSZXBYWTNV-GFCCVEGCSA-N 1 0 398.345 4.360 20 0 GIADRO COc1cccc(N2CCC[C@H]([NH2+][C@H](C)c3ncc(Br)s3)C2)c1 ZINC000179231891 822454730 /nfs/dbraw/zinc/45/47/30/822454730.db2.gz MOXMLCUWCVCPEP-OLZOCXBDSA-N 1 0 396.354 4.234 20 0 GIADRO Fc1ccc([C@@H](C[NH2+][C@H](c2ccco2)c2ccccc2)N2CCOCC2)cc1 ZINC000183295922 822454712 /nfs/dbraw/zinc/45/47/12/822454712.db2.gz NGLZGTJBKYAGDH-GGAORHGYSA-N 1 0 380.463 4.171 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)N(C)Cc2c(F)cccc2F)CC1 ZINC000454325782 822458272 /nfs/dbraw/zinc/45/82/72/822458272.db2.gz WPBNKPVRPOKVNJ-UHFFFAOYSA-N 1 0 387.474 4.079 20 0 GIADRO C[C@H]([NH2+]C[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)c1cccc(CO)c1 ZINC000183317430 822458238 /nfs/dbraw/zinc/45/82/38/822458238.db2.gz RVGXNKIVWJPRIJ-DHUIEDIVSA-N 1 0 376.903 4.315 20 0 GIADRO Cc1ccc(-c2cnc(-c3ccccc3C(=O)NCC3(C)CC[NH2+]CC3)o2)cc1 ZINC000183321724 822458621 /nfs/dbraw/zinc/45/86/21/822458621.db2.gz DDYHIKHUHAFBMO-UHFFFAOYSA-N 1 0 389.499 4.437 20 0 GIADRO COC(=O)COc1ccccc1[C@H](C)[NH2+]Cc1c(OC)ccc2ccccc21 ZINC000183322084 822458888 /nfs/dbraw/zinc/45/88/88/822458888.db2.gz ZSGWBJIBSWNPSN-INIZCTEOSA-N 1 0 379.456 4.251 20 0 GIADRO COCCCCN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000179268177 822459363 /nfs/dbraw/zinc/45/93/63/822459363.db2.gz FBMVENVHBOZAMH-PKTZIBPZSA-N 1 0 395.547 4.070 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1)c1cccc(N2CCOC2=O)c1 ZINC000183335385 822460450 /nfs/dbraw/zinc/46/04/50/822460450.db2.gz OGZGRXNAAZYNQL-CRAIPNDOSA-N 1 0 385.895 4.226 20 0 GIADRO C[C@H](CN1CCCC1=O)[NH2+]Cc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000179297996 822462651 /nfs/dbraw/zinc/46/26/51/822462651.db2.gz HWWOHULXBUUJQF-LLVKDONJSA-N 1 0 384.332 4.217 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cnn1C ZINC000183356075 822463003 /nfs/dbraw/zinc/46/30/03/822463003.db2.gz YPZZPJAWBOHWHG-UWVGGRQHSA-N 1 0 388.821 4.079 20 0 GIADRO COc1cc(OC)c(NC(=O)C[NH2+][C@H](C)[C@H](C)c2ccccc2)cc1Cl ZINC000183356928 822463056 /nfs/dbraw/zinc/46/30/56/822463056.db2.gz RLDIMUXAAWIHQJ-UONOGXRCSA-N 1 0 376.884 4.078 20 0 GIADRO CCOc1ccc([C@@H]2CCCN2C(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc1 ZINC000046347298 822464658 /nfs/dbraw/zinc/46/46/58/822464658.db2.gz PFUDATKJZFJREJ-VQTJNVASSA-N 1 0 387.549 4.296 20 0 GIADRO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)[NH2+][C@@H](C)c1ccccn1 ZINC000183376403 822465789 /nfs/dbraw/zinc/46/57/89/822465789.db2.gz OBDYCPIFVFQBER-JSGCOSHPSA-N 1 0 389.521 4.005 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(F)c(Cl)cc3F)c(C)c2)CC1 ZINC000179323026 822465915 /nfs/dbraw/zinc/46/59/15/822465915.db2.gz JIAGXGJAMIEUNB-UHFFFAOYSA-N 1 0 393.865 4.321 20 0 GIADRO CC[C@@H](C)n1ncc(C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)c1C1CC1 ZINC000179322435 822465937 /nfs/dbraw/zinc/46/59/37/822465937.db2.gz BLNKEFONXBBYQR-QGZVFWFLSA-N 1 0 394.563 4.298 20 0 GIADRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C[C@H](c2ccco2)N2CCCCC2)CC1 ZINC000183379314 822465980 /nfs/dbraw/zinc/46/59/80/822465980.db2.gz OUSKPOPULBWDPY-RTBURBONSA-N 1 0 391.556 4.186 20 0 GIADRO CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+][C@@H](C)c2cccc3ccccc32)CC1 ZINC000183380108 822466215 /nfs/dbraw/zinc/46/62/15/822466215.db2.gz OQGDPSVOQWUAAS-MSOLQXFVSA-N 1 0 396.531 4.071 20 0 GIADRO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000183407043 822469670 /nfs/dbraw/zinc/46/96/70/822469670.db2.gz SOVVYXVZSLCHJL-MRXNPFEDSA-N 1 0 395.425 4.225 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000183411932 822470425 /nfs/dbraw/zinc/47/04/25/822470425.db2.gz JYBXYKBUXGZPTM-QFIPXVFZSA-N 1 0 388.515 4.039 20 0 GIADRO COc1ccc2oc(C)c(C(=O)Nc3ccc(N4CCC[N@H+](C)CC4)cc3)c2c1 ZINC000046404190 822470581 /nfs/dbraw/zinc/47/05/81/822470581.db2.gz RUDWJUTYMKIVSB-UHFFFAOYSA-N 1 0 393.487 4.144 20 0 GIADRO CO[C@@H]1CCN(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CC1(C)C ZINC000454408457 822470618 /nfs/dbraw/zinc/47/06/18/822470618.db2.gz MAXYOMVRUBZRDJ-OAQYLSRUSA-N 1 0 387.568 4.019 20 0 GIADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C3(c4cccc(Cl)c4)CC3)cc2)CC1 ZINC000046404210 822470676 /nfs/dbraw/zinc/47/06/76/822470676.db2.gz KAIBHMHSTVRVSA-UHFFFAOYSA-N 1 0 383.923 4.152 20 0 GIADRO C[C@H](CNC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)[NH+]1CCCC1 ZINC000046408722 822471253 /nfs/dbraw/zinc/47/12/53/822471253.db2.gz QABBCCVNDZZHJN-CQSZACIVSA-N 1 0 393.409 4.107 20 0 GIADRO Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1OCC(=O)NCC1CC1)CCC2 ZINC000179361764 822471302 /nfs/dbraw/zinc/47/13/02/822471302.db2.gz KRJDKUQGAQYZQG-JOCHJYFZSA-N 1 0 378.516 4.067 20 0 GIADRO Cc1cnc(NC(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)s1 ZINC000179363711 822471782 /nfs/dbraw/zinc/47/17/82/822471782.db2.gz ZZIYMRNZWNRQMG-IUODEOHRSA-N 1 0 382.892 4.059 20 0 GIADRO COC[C@@H]([NH2+]Cc1csc(-c2cc(Br)ccc2OC)n1)C1CC1 ZINC000183421880 822472227 /nfs/dbraw/zinc/47/22/27/822472227.db2.gz XUTOOBZGLRBGEI-OAHLLOKOSA-N 1 0 397.338 4.096 20 0 GIADRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000183423954 822472631 /nfs/dbraw/zinc/47/26/31/822472631.db2.gz IVLZCGMNAAIUDK-JQIJEIRASA-N 1 0 397.500 4.186 20 0 GIADRO COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1cc(C)sc1C ZINC000179374350 822473028 /nfs/dbraw/zinc/47/30/28/822473028.db2.gz ITUYHQLAWPBGCM-OLZOCXBDSA-N 1 0 389.521 4.010 20 0 GIADRO Cc1cc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(N3CCCC3=O)cc2)c(C)s1 ZINC000179372945 822473114 /nfs/dbraw/zinc/47/31/14/822473114.db2.gz MNAFNJAASMSTPH-HUUCEWRRSA-N 1 0 385.533 4.170 20 0 GIADRO CCCC(=O)Nc1cccc(C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000183425353 822473141 /nfs/dbraw/zinc/47/31/41/822473141.db2.gz YCKSEXGKZGKKNP-SFHVURJKSA-N 1 0 389.540 4.304 20 0 GIADRO Cc1ccc([C@H](CNC(=O)N2CC3(CCC3)[C@@H]2c2ccco2)[NH+]2CCCC2)o1 ZINC000454425417 822473449 /nfs/dbraw/zinc/47/34/49/822473449.db2.gz IHQZTURJVNASEP-PXNSSMCTSA-N 1 0 383.492 4.255 20 0 GIADRO C[C@H]([NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)c1nc(Cc2ccccc2)no1 ZINC000179376764 822473521 /nfs/dbraw/zinc/47/35/21/822473521.db2.gz VREHLLZIXXYLSD-ZLPCBKJTSA-N 1 0 385.508 4.212 20 0 GIADRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)c1cc(F)c(Cl)cc1F ZINC000179380499 822473889 /nfs/dbraw/zinc/47/38/89/822473889.db2.gz FAZNJKPCCULGKJ-UHFFFAOYSA-N 1 0 378.850 4.055 20 0 GIADRO CCS[C@H](C)c1noc(CN(C)CCC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000179389209 822475602 /nfs/dbraw/zinc/47/56/02/822475602.db2.gz DPQXWABDKFLHLH-MRXNPFEDSA-N 1 0 389.569 4.017 20 0 GIADRO Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000454438537 822476160 /nfs/dbraw/zinc/47/61/60/822476160.db2.gz ABPOUFBLBAVPGU-UHFFFAOYSA-N 1 0 394.519 4.243 20 0 GIADRO C[C@H](C[NH2+][C@H](c1ccccc1)c1ccc(F)cn1)N1CCc2sccc2C1 ZINC000183448637 822476607 /nfs/dbraw/zinc/47/66/07/822476607.db2.gz GDDRMXNULRAIKQ-OPAMFIHVSA-N 1 0 381.520 4.408 20 0 GIADRO CCO[C@H](C)c1nc(CN(C)CCC2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000179394828 822476608 /nfs/dbraw/zinc/47/66/08/822476608.db2.gz GEWLJEFGKIOTRV-QGZVFWFLSA-N 1 0 388.581 4.374 20 0 GIADRO CCOc1ccccc1C[NH2+][C@H](C)CC(=O)Nc1cccc(N2CCCC2)c1 ZINC000183457575 822477724 /nfs/dbraw/zinc/47/77/24/822477724.db2.gz KATRQOCSWZGJTA-GOSISDBHSA-N 1 0 381.520 4.192 20 0 GIADRO CC[C@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1cc(C)ccc1OC ZINC000179404480 822478041 /nfs/dbraw/zinc/47/80/41/822478041.db2.gz BURQVYRUUTYFBX-UZLBHIALSA-N 1 0 390.549 4.056 20 0 GIADRO CCC(=O)c1cccc(NC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000179406612 822478239 /nfs/dbraw/zinc/47/82/39/822478239.db2.gz BYVYWLPOLQOLPM-UHFFFAOYSA-N 1 0 394.519 4.445 20 0 GIADRO Cc1cc(Cl)ncc1NC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179406003 822478242 /nfs/dbraw/zinc/47/82/42/822478242.db2.gz IUJJCWFPVVZXIY-UHFFFAOYSA-N 1 0 387.915 4.209 20 0 GIADRO Cc1ccc(NC(=O)COc2ccc(CC[NH2+][C@H](C)c3nccs3)cc2)cc1 ZINC000179413766 822479239 /nfs/dbraw/zinc/47/92/39/822479239.db2.gz KGMJVFDLMVVTTA-QGZVFWFLSA-N 1 0 395.528 4.362 20 0 GIADRO CC(=O)Nc1ccc(C)c(NC(=O)N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)c1 ZINC000454463154 822479442 /nfs/dbraw/zinc/47/94/42/822479442.db2.gz OPAVYMMJPZAXER-UHFFFAOYSA-N 1 0 388.556 4.318 20 0 GIADRO COc1cc([C@H](C)[NH2+]Cc2cccc3nccn32)ccc1OCc1ccncc1 ZINC000179418358 822479620 /nfs/dbraw/zinc/47/96/20/822479620.db2.gz IBKAGLDWCGAPSU-KRWDZBQOSA-N 1 0 388.471 4.168 20 0 GIADRO Cc1cc2ncc([C@@H](C)[NH2+]CCc3coc(-c4ccc(C)cc4)n3)c(C)n2n1 ZINC000179420387 822479947 /nfs/dbraw/zinc/47/99/47/822479947.db2.gz WJXXHBYMPPNKHW-MRXNPFEDSA-N 1 0 375.476 4.203 20 0 GIADRO CC(C)NC(=O)c1ccccc1NC(=O)C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000046511287 822480016 /nfs/dbraw/zinc/48/00/16/822480016.db2.gz ZIYXRXBXLWIKGO-NRFANRHFSA-N 1 0 399.922 4.158 20 0 GIADRO Cc1nc(CN2CCC(C[NH2+][C@@H](C)c3nc4c(s3)CCCC4)CC2)oc1C ZINC000179429237 822481369 /nfs/dbraw/zinc/48/13/69/822481369.db2.gz ZGISBEMTHLTFRD-HNNXBMFYSA-N 1 0 388.581 4.190 20 0 GIADRO Cc1nn(C)c(C)c1CCC[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000183479930 822482372 /nfs/dbraw/zinc/48/23/72/822482372.db2.gz NLNDNUQDCJOUTI-GOSISDBHSA-N 1 0 392.341 4.236 20 0 GIADRO Cc1nn(C)c(C)c1CCC[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000183479950 822482377 /nfs/dbraw/zinc/48/23/77/822482377.db2.gz NLNDNUQDCJOUTI-SFHVURJKSA-N 1 0 392.341 4.236 20 0 GIADRO COCCn1ccc2ccc(NC(=O)NC3CC[NH+](C4CCCCC4)CC3)cc21 ZINC000179436858 822482545 /nfs/dbraw/zinc/48/25/45/822482545.db2.gz JDPDNWBNXOYFQV-UHFFFAOYSA-N 1 0 398.551 4.206 20 0 GIADRO Cc1cccc(Cl)c1NC(=O)C[NH2+]C1(c2ccc(F)cc2)CCOCC1 ZINC000179443554 822483722 /nfs/dbraw/zinc/48/37/22/822483722.db2.gz GFPHKBBOARTQSV-UHFFFAOYSA-N 1 0 376.859 4.022 20 0 GIADRO COc1ccc([C@@H](CNC(=O)C2(c3ccc(F)cc3)CC2)[NH+]2CCCCC2)cc1 ZINC000046543853 822484643 /nfs/dbraw/zinc/48/46/43/822484643.db2.gz WIKYFRLEZOBRDW-JOCHJYFZSA-N 1 0 396.506 4.209 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2C[C@H](C)C[C@@H]2c2cccnc2)CC1 ZINC000183492487 822485020 /nfs/dbraw/zinc/48/50/20/822485020.db2.gz NDNHQHRGZIMFCY-SELNLUPBSA-N 1 0 392.547 4.400 20 0 GIADRO COc1ccc(NC(=O)C[C@@H](C)[NH2+]CCc2coc(-c3ccc(F)cc3)n2)cc1 ZINC000179454001 822485222 /nfs/dbraw/zinc/48/52/22/822485222.db2.gz XPGJIAQQNWIMPL-OAHLLOKOSA-N 1 0 397.450 4.039 20 0 GIADRO Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000179456347 822485646 /nfs/dbraw/zinc/48/56/46/822485646.db2.gz ABOZFRMAQJSPCP-MRXNPFEDSA-N 1 0 381.451 4.339 20 0 GIADRO C[C@@H]([NH2+]CCc1coc(-c2ccc(F)cc2)n1)c1ccc(N2CCOC2=O)cc1 ZINC000179456539 822485888 /nfs/dbraw/zinc/48/58/88/822485888.db2.gz DXFNZQOOZFYAJN-OAHLLOKOSA-N 1 0 395.434 4.331 20 0 GIADRO CCc1nn(C)c(OC)c1C[NH2+][C@@H]1C[C@H](C)c2c1cccc2Br ZINC000179466675 822486796 /nfs/dbraw/zinc/48/67/96/822486796.db2.gz GBIUPZHPCIXECC-MEDUHNTESA-N 1 0 378.314 4.092 20 0 GIADRO CCC[C@@H]([NH2+]CCC(=O)Nc1ccc(Br)cc1)c1ccccn1 ZINC000179468707 822487037 /nfs/dbraw/zinc/48/70/37/822487037.db2.gz KOLWSKKMLLDTPR-MRXNPFEDSA-N 1 0 376.298 4.304 20 0 GIADRO C[N@@H+]1CC[C@@H](CNC(=O)CCc2cccs2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179472491 822487626 /nfs/dbraw/zinc/48/76/26/822487626.db2.gz SFJJYHWPYHOKRD-LIRRHRJNSA-N 1 0 380.916 4.282 20 0 GIADRO COC(=O)COc1ccccc1[C@H](C)[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000183509658 822487874 /nfs/dbraw/zinc/48/78/74/822487874.db2.gz WYNSAYIZWSSLBN-KGLIPLIRSA-N 1 0 392.293 4.413 20 0 GIADRO CC[C@H]([NH2+]C[C@H](C)c1nc(-c2ccccc2)no1)c1ccc2c(c1)OCCO2 ZINC000179478509 822488356 /nfs/dbraw/zinc/48/83/56/822488356.db2.gz KHXQLFKEBCSXFA-YJBOKZPZSA-N 1 0 379.460 4.352 20 0 GIADRO 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 822489016 /nfs/dbraw/zinc/48/90/16/822489016.db2.gz BYGXSRIFBJOLBY-DYVFJYSZSA-N 1 0 383.483 4.336 20 0 GIADRO Cc1coc(-c2cccc(NC(=O)N[C@@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)c2)n1 ZINC000183519177 822489112 /nfs/dbraw/zinc/48/91/12/822489112.db2.gz UOZYRNMMFKMIKQ-FUHWJXTLSA-N 1 0 382.508 4.425 20 0 GIADRO Cc1ccccc1CCN(C)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000454518212 822489688 /nfs/dbraw/zinc/48/96/88/822489688.db2.gz NRWZYLCOXPDUFD-HXUWFJFHSA-N 1 0 379.548 4.405 20 0 GIADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@@H](C)c2cccc(C3CC3)c2)[C@H](C)C1 ZINC000454520785 822490512 /nfs/dbraw/zinc/49/05/12/822490512.db2.gz PLVXIDBHSPYURQ-FGSXEWAUSA-N 1 0 387.568 4.061 20 0 GIADRO CC(C)[C@@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(F)c(F)c1 ZINC000179497288 822491159 /nfs/dbraw/zinc/49/11/59/822491159.db2.gz DEYWEQNLWHEEIU-JLTOFOAXSA-N 1 0 396.503 4.263 20 0 GIADRO C[C@@H]([NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000179497334 822491356 /nfs/dbraw/zinc/49/13/56/822491356.db2.gz DBRITCMYZGBAGX-NVXWUHKLSA-N 1 0 392.421 4.285 20 0 GIADRO COc1cc([C@H](C)[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)ccc1OC(F)F ZINC000179502677 822492314 /nfs/dbraw/zinc/49/23/14/822492314.db2.gz QDMGRMYDKCIZHY-BONVTDFDSA-N 1 0 389.801 4.473 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)c1ccc(Cl)c(F)c1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000179503957 822492530 /nfs/dbraw/zinc/49/25/30/822492530.db2.gz YYJAQEMCUPLIRY-BUXKBTBVSA-N 1 0 391.874 4.147 20 0 GIADRO COc1cc(C(C)=O)ccc1OC[C@H](O)C[NH2+][C@H](C)c1oc2ccccc2c1C ZINC000183543832 822492579 /nfs/dbraw/zinc/49/25/79/822492579.db2.gz DWVWSPAQYLJLRB-CRAIPNDOSA-N 1 0 397.471 4.043 20 0 GIADRO C[C@@H](NCc1ccnc(OCC[NH+](C)C)c1)c1cc(Cl)ccc1OC(F)F ZINC000179511339 822493676 /nfs/dbraw/zinc/49/36/76/822493676.db2.gz JAHRKBSBRRQKCP-CYBMUJFWSA-N 1 0 399.869 4.128 20 0 GIADRO Cc1cccnc1/C=C/C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000183551967 822493662 /nfs/dbraw/zinc/49/36/62/822493662.db2.gz ALELDWKAIJIJAJ-CMDGGOBGSA-N 1 0 383.923 4.085 20 0 GIADRO Cc1c2ccccc2oc1[C@@H](C)[NH2+]CC(=O)NCCc1nc2ccccc2s1 ZINC000183552618 822493895 /nfs/dbraw/zinc/49/38/95/822493895.db2.gz UKWCNORFYLHMLJ-OAHLLOKOSA-N 1 0 393.512 4.360 20 0 GIADRO COc1ccccc1OC[C@@H](C)C[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000179513305 822494128 /nfs/dbraw/zinc/49/41/28/822494128.db2.gz IZDPXYGAHZMJMG-DLBZAZTESA-N 1 0 384.476 4.018 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)Cn1ncc2ccccc2c1=O)c1cccc(C(F)(F)F)c1 ZINC000179517305 822495295 /nfs/dbraw/zinc/49/52/95/822495295.db2.gz TUNWITBTGJBWOZ-UONOGXRCSA-N 1 0 375.394 4.155 20 0 GIADRO COc1ccc2cc([C@H](C)[NH2+][C@H](C)Cn3ncc4ccccc4c3=O)ccc2c1 ZINC000179517905 822495588 /nfs/dbraw/zinc/49/55/88/822495588.db2.gz PCBMWZIHPAVGHL-SJORKVTESA-N 1 0 387.483 4.298 20 0 GIADRO Cc1c2cc(F)ccc2oc1CNC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000179518749 822495725 /nfs/dbraw/zinc/49/57/25/822495725.db2.gz AZJNKIPWCVSMLE-UHFFFAOYSA-N 1 0 375.488 4.144 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCC[C@@H]1c1cccs1)c1cccc(-n2cccn2)c1 ZINC000183567190 822495811 /nfs/dbraw/zinc/49/58/11/822495811.db2.gz FVQBHWRDJSNGEE-FUHIMQAGSA-N 1 0 394.544 4.337 20 0 GIADRO CC(C)(C)OC(=O)c1ccc(C[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)cc1 ZINC000179519516 822495946 /nfs/dbraw/zinc/49/59/46/822495946.db2.gz QSAYBDNTNYVLQI-GOSISDBHSA-N 1 0 382.508 4.017 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)cc1OC ZINC000179523070 822496510 /nfs/dbraw/zinc/49/65/10/822496510.db2.gz GMAWUFSSJNWFOE-LTBCBRHQSA-N 1 0 376.447 4.078 20 0 GIADRO OC[C@H]1C=C[C@@H]([NH2+][C@H](c2cccc(F)c2)c2cccc(Br)c2)C1 ZINC000183575235 822496626 /nfs/dbraw/zinc/49/66/26/822496626.db2.gz FJCLNLYWXNLTNI-BKTGTZMESA-N 1 0 376.269 4.204 20 0 GIADRO CCC[C@H]1C[C@@H](C(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)CCO1 ZINC000183580267 822497376 /nfs/dbraw/zinc/49/73/76/822497376.db2.gz KGEBYRSWERVMOU-HKUYNNGSSA-N 1 0 376.566 4.078 20 0 GIADRO CCn1nc(C)c(NC(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)c1C ZINC000179529743 822497658 /nfs/dbraw/zinc/49/76/58/822497658.db2.gz DJGIAWUMLDZFEC-QGZVFWFLSA-N 1 0 389.569 4.176 20 0 GIADRO C[C@@H](NC(=O)C[NH2+][C@@H](C)c1cccc(-n2cccn2)c1)c1ccccc1Cl ZINC000183602889 822499938 /nfs/dbraw/zinc/49/99/38/822499938.db2.gz KQORGZPLEBNOIW-JKSUJKDBSA-N 1 0 382.895 4.054 20 0 GIADRO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1ccc2c(c1)NC(=O)CCS2 ZINC000179547318 822501090 /nfs/dbraw/zinc/50/10/90/822501090.db2.gz YTISZSXITYBQSG-UHFFFAOYSA-N 1 0 395.528 4.012 20 0 GIADRO CC(C)Oc1ccc([C@@H](O)C[NH2+][C@H](c2ccccc2)c2ccc(F)cn2)cc1 ZINC000183611194 822501222 /nfs/dbraw/zinc/50/12/22/822501222.db2.gz YOAXUEMEQQANBO-XZOQPEGZSA-N 1 0 380.463 4.421 20 0 GIADRO CC(C)Oc1cccc([C@H](O)C[NH2+][C@H](c2ccccc2)c2ccc(F)cn2)c1 ZINC000183612588 822501251 /nfs/dbraw/zinc/50/12/51/822501251.db2.gz XRLWRKBZBBQFDF-DHIUTWEWSA-N 1 0 380.463 4.421 20 0 GIADRO Cc1c2ccccc2oc1[C@@H](C)[NH2+][C@@H](C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000183614772 822501498 /nfs/dbraw/zinc/50/14/98/822501498.db2.gz HPSDZRIRDYSJHR-JTDSTZFVSA-N 1 0 378.472 4.420 20 0 GIADRO CC(C)(C)OC(=O)c1ccc(C[NH2+][C@H](CN2CCCC2=O)c2ccccc2)cc1 ZINC000179552393 822502198 /nfs/dbraw/zinc/50/21/98/822502198.db2.gz KTJVTHWWUADBHR-OAQYLSRUSA-N 1 0 394.515 4.095 20 0 GIADRO CC(=O)c1c(C)cc(C)c(C[NH2+][C@H](CN2CCCC2=O)c2ccccc2)c1C ZINC000179555642 822502838 /nfs/dbraw/zinc/50/28/38/822502838.db2.gz XQOVVECHBCNRJV-JOCHJYFZSA-N 1 0 378.516 4.268 20 0 GIADRO Cc1cc(NC(=O)NC(C)(C)CCC[NH+](C)C)ccc1NC(=O)c1ccco1 ZINC000454598063 822503763 /nfs/dbraw/zinc/50/37/63/822503763.db2.gz FOLCQSGCHHNTNB-UHFFFAOYSA-N 1 0 386.496 4.082 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)N2CC[C@@H](C(F)(F)F)C[C@@H]2C)CC[N@@H+]1Cc1ccccc1 ZINC000454609604 822505608 /nfs/dbraw/zinc/50/56/08/822505608.db2.gz VNOGLFZROSVSPD-UKBAYJJMSA-N 1 0 397.485 4.412 20 0 GIADRO Cc1nc(C(F)(F)F)c(C[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)s1 ZINC000183643096 822505612 /nfs/dbraw/zinc/50/56/12/822505612.db2.gz YMIYZIVVPLKYKN-NSHDSACASA-N 1 0 383.439 4.448 20 0 GIADRO C[C@H]([NH2+]CC(=O)N(C)c1nc2ccccc2s1)c1cccc(OC(F)F)c1 ZINC000179575408 822505904 /nfs/dbraw/zinc/50/59/04/822505904.db2.gz IMPMETGJGMENEW-LBPRGKRZSA-N 1 0 391.443 4.211 20 0 GIADRO CC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2cccc(OC(F)F)c2)c1 ZINC000179574785 822505999 /nfs/dbraw/zinc/50/59/99/822505999.db2.gz BXWZMZSYTRNFCX-OLZOCXBDSA-N 1 0 376.403 4.168 20 0 GIADRO COc1ccc(-c2noc(C[NH2+][C@H](Cc3ccc(F)cc3)C(C)C)n2)c(OC)c1 ZINC000183648943 822506120 /nfs/dbraw/zinc/50/61/20/822506120.db2.gz PLMYWBZHVGGJDL-LJQANCHMSA-N 1 0 399.466 4.250 20 0 GIADRO COc1cc(NC(=O)C[NH2+]C(C)(C)c2cccc(C)c2)c(OC)cc1Cl ZINC000179587932 822507701 /nfs/dbraw/zinc/50/77/01/822507701.db2.gz VCSOPQDSIQRFPS-UHFFFAOYSA-N 1 0 376.884 4.129 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@@H](C(F)(F)F)C[C@H]1C ZINC000454630342 822509334 /nfs/dbraw/zinc/50/93/34/822509334.db2.gz YNYDJVQKHCRWBW-RWQQGDIJSA-N 1 0 397.485 4.269 20 0 GIADRO CSCC1CCC(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000454630813 822509488 /nfs/dbraw/zinc/50/94/88/822509488.db2.gz ZCQAPAOVJMQOLS-RLHVNXBHSA-N 1 0 389.609 4.118 20 0 GIADRO Cc1cccc(C(C)(C)[NH2+]CC(=O)N[C@H](c2nccs2)c2ccccc2)c1 ZINC000179598034 822509798 /nfs/dbraw/zinc/50/97/98/822509798.db2.gz KTILDRFRKSTDDD-FQEVSTJZSA-N 1 0 379.529 4.182 20 0 GIADRO C[C@@H]([NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1)c1ccc(-n2cnnn2)cc1 ZINC000179597809 822509858 /nfs/dbraw/zinc/50/98/58/822509858.db2.gz RCRHHZADDSEFKI-BFUOFWGJSA-N 1 0 387.409 4.483 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(C)cc2F)cc1 ZINC000183682337 822510523 /nfs/dbraw/zinc/51/05/23/822510523.db2.gz QKVDQGOUZDMJSA-CVEARBPZSA-N 1 0 380.467 4.306 20 0 GIADRO Cc1nn(-c2ccccc2)cc1NC(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000183689185 822511831 /nfs/dbraw/zinc/51/18/31/822511831.db2.gz VZJUEGMTRSXPEH-ROUUACIJSA-N 1 0 383.540 4.060 20 0 GIADRO Cc1nn(-c2ccccc2)cc1NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000183691321 822512264 /nfs/dbraw/zinc/51/22/64/822512264.db2.gz VTPFNRUUHIOQET-FQEVSTJZSA-N 1 0 395.551 4.301 20 0 GIADRO Cc1ccc2[nH]c3c(c2c1)CN(C(=O)NCCCC[N@H+]1CCCC[C@@H]1C)CC3 ZINC000046751176 822512804 /nfs/dbraw/zinc/51/28/04/822512804.db2.gz CCVCLLLYAYQFLZ-SFHVURJKSA-N 1 0 382.552 4.199 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[NH2+][C@@H](c2ccccc2Cl)C(C)C)c1 ZINC000183695364 822512992 /nfs/dbraw/zinc/51/29/92/822512992.db2.gz OGUGJWHPWGIJQS-HXUWFJFHSA-N 1 0 376.884 4.283 20 0 GIADRO C[C@H]1CCC[N@H+](CCCCNC(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)C1 ZINC000046752070 822513038 /nfs/dbraw/zinc/51/30/38/822513038.db2.gz NIHRVXFSLMBWAM-OALUTQOASA-N 1 0 398.551 4.229 20 0 GIADRO Cc1c(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)cnn1-c1ccc(F)cc1 ZINC000046756683 822513679 /nfs/dbraw/zinc/51/36/79/822513679.db2.gz GAPWINCDHRQNFA-UHFFFAOYSA-N 1 0 394.494 4.090 20 0 GIADRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc3cc(C)cc(Br)c3o2)C1 ZINC000183703649 822514286 /nfs/dbraw/zinc/51/42/86/822514286.db2.gz BKKKZAJPHFWNHR-CQSZACIVSA-N 1 0 393.325 4.308 20 0 GIADRO CC[NH+](CC)[C@H]1CCN(C(=O)c2nc(-c3cccc(C(F)(F)F)c3)oc2C)C1 ZINC000183705946 822514469 /nfs/dbraw/zinc/51/44/69/822514469.db2.gz AUCJMVGETSRZBW-INIZCTEOSA-N 1 0 395.425 4.225 20 0 GIADRO Fc1ccc([C@@H]([NH2+][C@@H]2CCN(c3c(F)cccc3F)C2)c2ccccc2)nc1 ZINC000183708988 822514958 /nfs/dbraw/zinc/51/49/58/822514958.db2.gz NFISRCSBLGJXHL-UTKZUKDTSA-N 1 0 383.417 4.457 20 0 GIADRO CC(C)[NH+]1CCC(NC(=O)Nc2cccc(-c3ccc4c(c3)CCO4)c2)CC1 ZINC000179627657 822515506 /nfs/dbraw/zinc/51/55/06/822515506.db2.gz ZQUDRYRKGOWMNL-UHFFFAOYSA-N 1 0 379.504 4.283 20 0 GIADRO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3cccc(-c4ccc5c(c4)CCO5)c3)CC[C@@H]21 ZINC000179631788 822516438 /nfs/dbraw/zinc/51/64/38/822516438.db2.gz RBNSUHNMLKMJTM-UNMCSNQZSA-N 1 0 391.515 4.237 20 0 GIADRO CO[C@@H](C)c1cccc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)c1 ZINC000454685549 822517142 /nfs/dbraw/zinc/51/71/42/822517142.db2.gz RADBGEGMHFTFFI-OALUTQOASA-N 1 0 381.520 4.380 20 0 GIADRO Cc1cccc(N2CC[NH+](CCCCNC(=O)CCCc3ccccc3)CC2)c1 ZINC000046785681 822517239 /nfs/dbraw/zinc/51/72/39/822517239.db2.gz FRJDHDVFEPDRDH-UHFFFAOYSA-N 1 0 393.575 4.036 20 0 GIADRO CCCc1noc2nc(C3CC3)cc(C(=O)Nc3ccc(C[NH+](C)C)cc3)c12 ZINC000046787781 822517472 /nfs/dbraw/zinc/51/74/72/822517472.db2.gz CZNJLPGSTNJNNR-UHFFFAOYSA-N 1 0 378.476 4.367 20 0 GIADRO COc1ccccc1CNC(=O)C[NH2+][C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000183727931 822517528 /nfs/dbraw/zinc/51/75/28/822517528.db2.gz QJTQSNVQXCZAIL-HNNXBMFYSA-N 1 0 395.528 4.094 20 0 GIADRO Cc1cc2cc(C(=O)N3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)oc2c(Br)c1 ZINC000183731315 822517898 /nfs/dbraw/zinc/51/78/98/822517898.db2.gz KZWTVGBYGZYZFM-XJKSGUPXSA-N 1 0 391.309 4.060 20 0 GIADRO Cc1nn(-c2ccccc2)cc1NC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000183732247 822518083 /nfs/dbraw/zinc/51/80/83/822518083.db2.gz AHVXZLMIHHTYCK-JOCHJYFZSA-N 1 0 389.503 4.139 20 0 GIADRO CC(C)c1cnc(C[NH2+]C[C@@H](c2cccc(Cl)c2)N2CCOCC2)s1 ZINC000183735320 822518869 /nfs/dbraw/zinc/51/88/69/822518869.db2.gz SCHGCWGGXLMFRO-KRWDZBQOSA-N 1 0 379.957 4.083 20 0 GIADRO O=C1OCCN1c1ccc(C[NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)cc1 ZINC000183738984 822519636 /nfs/dbraw/zinc/51/96/36/822519636.db2.gz NNJOQMZFEUYVQU-SFHVURJKSA-N 1 0 392.377 4.319 20 0 GIADRO Cn1cc(C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)c(-c2cccs2)n1 ZINC000179650322 822519798 /nfs/dbraw/zinc/51/97/98/822519798.db2.gz LAHQAZZTUNQCAY-UHFFFAOYSA-N 1 0 377.517 4.405 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCCc2ccc(F)cc21)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000179652014 822520138 /nfs/dbraw/zinc/52/01/38/822520138.db2.gz RZAHBTALORYLBL-OYHNWAKOSA-N 1 0 382.479 4.211 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCCc2ccc(F)cc21)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000179652028 822520145 /nfs/dbraw/zinc/52/01/45/822520145.db2.gz RZAHBTALORYLBL-IVZQSRNASA-N 1 0 382.479 4.211 20 0 GIADRO Cc1cccc([C@H](C)[NH2+]CC(=O)N[C@H](c2nccs2)c2ccccc2)c1C ZINC000183740187 822520199 /nfs/dbraw/zinc/52/01/99/822520199.db2.gz QYTJSYNTRFZUKP-UWJYYQICSA-N 1 0 379.529 4.316 20 0 GIADRO Cc1nn(-c2ccccc2)cc1NC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000183742863 822520650 /nfs/dbraw/zinc/52/06/50/822520650.db2.gz KDUMCSKXIZWXAS-HXUWFJFHSA-N 1 0 393.491 4.122 20 0 GIADRO CCC[C@@H]1CN(C(=O)CCc2c(C)noc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000179654578 822521069 /nfs/dbraw/zinc/52/10/69/822521069.db2.gz CABQPASPZZKEHV-GOSISDBHSA-N 1 0 389.927 4.082 20 0 GIADRO COc1cc(OC)c(NC(=O)C[NH2+]C2(c3cccc(Cl)c3)CC2)cc1Cl ZINC000179671975 822523984 /nfs/dbraw/zinc/52/39/84/822523984.db2.gz ZPTKWYRAXAEIGD-UHFFFAOYSA-N 1 0 395.286 4.228 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)c2ccc(Br)cc2C(F)(F)F)CC[N@@H+]1C ZINC000179674241 822524476 /nfs/dbraw/zinc/52/44/76/822524476.db2.gz CRZLATCSFBLTRI-CMPLNLGQSA-N 1 0 393.247 4.023 20 0 GIADRO Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000183769184 822525636 /nfs/dbraw/zinc/52/56/36/822525636.db2.gz VMKKONUZDLQMIB-QGZVFWFLSA-N 1 0 397.567 4.103 20 0 GIADRO Cc1ccc2cccc(NC(=O)N(C)C3CC[NH+](CCC(F)(F)F)CC3)c2n1 ZINC000454739556 822526078 /nfs/dbraw/zinc/52/60/78/822526078.db2.gz FMQSRAIHEYABIQ-UHFFFAOYSA-N 1 0 394.441 4.424 20 0 GIADRO Cc1csc(CNC(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000454743359 822526679 /nfs/dbraw/zinc/52/66/79/822526679.db2.gz UNZMOQCYOHNULX-KSSFIOAISA-N 1 0 395.931 4.341 20 0 GIADRO Cc1cccc(OC[C@H](O)C[NH2+][C@@H](C)c2cccc(OCc3ccccn3)c2)c1 ZINC000179686541 822527182 /nfs/dbraw/zinc/52/71/82/822527182.db2.gz BDRPZCQZSRPSJG-SIKLNZKXSA-N 1 0 392.499 4.060 20 0 GIADRO Cc1ccc(-c2n[nH]cc2CNc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)cc1 ZINC000183778850 822527440 /nfs/dbraw/zinc/52/74/40/822527440.db2.gz ZWGUPOBDEMIZAA-UHFFFAOYSA-N 1 0 391.519 4.196 20 0 GIADRO C[C@@H]([NH2+]CCC(=O)Nc1ccc(F)cc1)c1cccc(OCc2ccccn2)c1 ZINC000179687632 822527597 /nfs/dbraw/zinc/52/75/97/822527597.db2.gz LBEZXHKNQPJWTF-QGZVFWFLSA-N 1 0 393.462 4.479 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1F)c1cccc(OCc2ccccn2)c1 ZINC000179690184 822528225 /nfs/dbraw/zinc/52/82/25/822528225.db2.gz DBPXZMRYWWRYTJ-NYHFZMIOSA-N 1 0 384.426 4.323 20 0 GIADRO C[C@H]([NH2+]CCCOc1ccc(S(C)(=O)=O)cc1)c1ccc(F)cc1Cl ZINC000183788642 822528224 /nfs/dbraw/zinc/52/82/24/822528224.db2.gz OWFUIEPEZDBFST-ZDUSSCGKSA-N 1 0 385.888 4.002 20 0 GIADRO Cc1cc2c(cc1NC(=O)NC1CC[NH+]([C@@H](C)c3ccccc3)CC1)OCO2 ZINC000183788602 822528248 /nfs/dbraw/zinc/52/82/48/822528248.db2.gz CDMFCKXQDNLJAD-INIZCTEOSA-N 1 0 381.476 4.071 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1cccc(OCc2ccccn2)c1)C(=O)N(C)C1CCCCC1 ZINC000179694403 822529155 /nfs/dbraw/zinc/52/91/55/822529155.db2.gz KCSSQGLLKNPIFE-OALUTQOASA-N 1 0 395.547 4.491 20 0 GIADRO C[C@H](NC(=O)NC[C@@H]1CCCCC1(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000454760675 822529389 /nfs/dbraw/zinc/52/93/89/822529389.db2.gz DBIUZNQEQGWHGU-WDSOQIARSA-N 1 0 379.495 4.022 20 0 GIADRO C[C@H]([NH2+][C@H](c1ccccc1)C1CC1)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000179698693 822530006 /nfs/dbraw/zinc/53/00/06/822530006.db2.gz GEHXHRHRTIQVHC-YCRPNKLZSA-N 1 0 379.529 4.384 20 0 GIADRO COc1cc([C@H](C)[NH2+]C[C@@H](O)c2ccc(C)cc2)ccc1OCc1ccncc1 ZINC000179699595 822530075 /nfs/dbraw/zinc/53/00/75/822530075.db2.gz ZAOTVGKNMFYHEZ-PGRDOPGGSA-N 1 0 392.499 4.362 20 0 GIADRO C[C@H]1CCCC[C@H]1C[NH2+]Cc1cccnc1Oc1cccc(S(C)(=O)=O)c1 ZINC000183814569 822531015 /nfs/dbraw/zinc/53/10/15/822531015.db2.gz XRDZXMZCXZUTAA-IRXDYDNUSA-N 1 0 388.533 4.193 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)N2CCC[C@H]2c2nc3ccccc3s2)c1 ZINC000046926559 822531748 /nfs/dbraw/zinc/53/17/48/822531748.db2.gz BPFRXQUAARTXFI-IBGZPJMESA-N 1 0 394.544 4.405 20 0 GIADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2ccc(Br)cc2C(F)(F)F)C1 ZINC000179707759 822532014 /nfs/dbraw/zinc/53/20/14/822532014.db2.gz QYPAXIZAZMFVIE-NWDGAFQWSA-N 1 0 393.247 4.071 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)c2scnc2C2CCCC2)CC1 ZINC000183822009 822532277 /nfs/dbraw/zinc/53/22/77/822532277.db2.gz SLFMANCBIIEOEX-UHFFFAOYSA-N 1 0 384.549 4.195 20 0 GIADRO C[C@H](NC(=O)N1CCc2ccc(-c3ccccc3)cc2C1)C1=CC[N@H+](C)CC1 ZINC000454778695 822532420 /nfs/dbraw/zinc/53/24/20/822532420.db2.gz SLQPDENGGFGGQH-SFHVURJKSA-N 1 0 375.516 4.072 20 0 GIADRO COc1cc(C(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc(OC)c1OC ZINC000046934541 822532501 /nfs/dbraw/zinc/53/25/01/822532501.db2.gz WKOLITYJGRXXRU-INIZCTEOSA-N 1 0 398.503 4.197 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)CCCNC(=O)c3ccccc3)cc2)C1 ZINC000046934680 822532650 /nfs/dbraw/zinc/53/26/50/822532650.db2.gz BZAKHGKIAJDDPF-LJQANCHMSA-N 1 0 393.531 4.067 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2cc(=O)c3ccccc3o2)cc1 ZINC000046934932 822532778 /nfs/dbraw/zinc/53/27/78/822532778.db2.gz AYSLYKCMNCCCQG-KRWDZBQOSA-N 1 0 390.483 4.097 20 0 GIADRO CC(C)(C)OC(=O)N[C@H](C[NH2+][C@H](c1ccccc1)c1ccc(F)cn1)C1CC1 ZINC000183827666 822533052 /nfs/dbraw/zinc/53/30/52/822533052.db2.gz RHAOGXUYYCSJPX-WOJBJXKFSA-N 1 0 385.483 4.203 20 0 GIADRO COc1ccccc1-c1cccc(NC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000454784001 822533383 /nfs/dbraw/zinc/53/33/83/822533383.db2.gz UZPZZHMVTDWKBO-QHCPKHFHSA-N 1 0 379.504 4.312 20 0 GIADRO Cc1ccc(-c2cnc(CCC(=O)NC[C@H](C3CCCCC3)[NH+](C)C)o2)cc1 ZINC000046949231 822533577 /nfs/dbraw/zinc/53/35/77/822533577.db2.gz KZCYTCSOINBGRB-HXUWFJFHSA-N 1 0 383.536 4.209 20 0 GIADRO Cc1noc(C)c1CSc1ccccc1C(=O)NCC[NH+]1CCC(C)CC1 ZINC000046955718 822533879 /nfs/dbraw/zinc/53/38/79/822533879.db2.gz XVJZLAAZKDPERM-UHFFFAOYSA-N 1 0 387.549 4.045 20 0 GIADRO Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)NC(C)(C)CCC[NH+](C)C ZINC000454787181 822534039 /nfs/dbraw/zinc/53/40/39/822534039.db2.gz OCMFLBUAMRMPBH-UHFFFAOYSA-N 1 0 376.545 4.222 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2ccccc2SCC#N)C1 ZINC000046980759 822534856 /nfs/dbraw/zinc/53/48/56/822534856.db2.gz STQDKIAGJRCWQD-GOSISDBHSA-N 1 0 393.556 4.464 20 0 GIADRO CC[C@H]([NH2+]CC(=O)Nc1cc(C)nn1C(C)(C)C)c1ccccc1OC(F)F ZINC000179723034 822535332 /nfs/dbraw/zinc/53/53/32/822535332.db2.gz ZUIUFGCMJRJBDO-HNNXBMFYSA-N 1 0 394.466 4.227 20 0 GIADRO Cc1noc(C)c1COc1ccccc1C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000046988569 822536049 /nfs/dbraw/zinc/53/60/49/822536049.db2.gz OFRPQPBUXJWBCZ-QGZVFWFLSA-N 1 0 399.535 4.255 20 0 GIADRO Cc1oc(-c2cccs2)nc1CC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000046988398 822536114 /nfs/dbraw/zinc/53/61/14/822536114.db2.gz OVAKNSYEIKCJIT-OAHLLOKOSA-N 1 0 375.538 4.025 20 0 GIADRO CC1([C@@H]2CCC[N@H+](Cc3csc(Cc4ccc(Cl)cc4)n3)C2)OCCO1 ZINC000183857832 822536871 /nfs/dbraw/zinc/53/68/71/822536871.db2.gz WXYAWYLGKGLCSX-MRXNPFEDSA-N 1 0 392.952 4.362 20 0 GIADRO COCc1c(C(=O)NCCCC[NH+]2CCC(C)CC2)sc2cccc(F)c21 ZINC000047016609 822537814 /nfs/dbraw/zinc/53/78/14/822537814.db2.gz JJHOPICJCGHPEV-UHFFFAOYSA-N 1 0 392.540 4.429 20 0 GIADRO CC1CC[NH+](CCCCNC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)CC1 ZINC000047016717 822537829 /nfs/dbraw/zinc/53/78/29/822537829.db2.gz LDEJTDNGDIFUIK-UHFFFAOYSA-N 1 0 389.540 4.276 20 0 GIADRO CC1CC[NH+](CCCCNC(=O)c2cc(Br)ccc2Cl)CC1 ZINC000047016384 822537857 /nfs/dbraw/zinc/53/78/57/822537857.db2.gz OWECCKYPIORORC-UHFFFAOYSA-N 1 0 387.749 4.344 20 0 GIADRO CCOc1ccccc1[C@@H](CC)[NH2+][C@@H](C)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000179736508 822538741 /nfs/dbraw/zinc/53/87/41/822538741.db2.gz PBKKEPAITURWDV-MAUKXSAKSA-N 1 0 386.492 4.170 20 0 GIADRO Cc1oc(-c2cccs2)nc1CC(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000047037811 822538942 /nfs/dbraw/zinc/53/89/42/822538942.db2.gz QHBUPZYSTJUHFA-HOTGVXAUSA-N 1 0 389.565 4.128 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)CCc2ncc(-c3ccccc3)o2)C1 ZINC000047039605 822539038 /nfs/dbraw/zinc/53/90/38/822539038.db2.gz IOYPWBBUYMYLCZ-KDURUIRLSA-N 1 0 383.536 4.149 20 0 GIADRO CCN(C(=O)C[NH2+][C@@H](CCCO)c1ccccc1)c1cccc2ccccc21 ZINC000179739644 822539826 /nfs/dbraw/zinc/53/98/26/822539826.db2.gz MPKDXSOVKQNBNE-QFIPXVFZSA-N 1 0 376.500 4.296 20 0 GIADRO OC[C@H]([NH2+]Cc1ccc(Cl)c2cccnc12)c1cccc(Br)c1 ZINC000183880131 822539857 /nfs/dbraw/zinc/53/98/57/822539857.db2.gz BULSENXWJVQPJB-KRWDZBQOSA-N 1 0 391.696 4.474 20 0 GIADRO CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000179740353 822540060 /nfs/dbraw/zinc/54/00/60/822540060.db2.gz LNSPDKRQYSEGAS-CQSZACIVSA-N 1 0 390.915 4.077 20 0 GIADRO C[C@H](NC(=O)N1CCC([NH+]2CCCC2)CC1)C(c1ccccc1)c1ccccc1 ZINC000047049413 822540334 /nfs/dbraw/zinc/54/03/34/822540334.db2.gz JBBRZQPAZKPBIX-FQEVSTJZSA-N 1 0 391.559 4.477 20 0 GIADRO Cc1ccc2c(C[NH2+][C@H](c3ccc4c(c3)OCCO4)C3CC3)cc(=O)oc2c1 ZINC000179742741 822541042 /nfs/dbraw/zinc/54/10/42/822541042.db2.gz FYWUXEDLPWZAQZ-QHCPKHFHSA-N 1 0 377.440 4.114 20 0 GIADRO CCOc1ccccc1[C@H](CC)[NH2+][C@H](C)C(=O)Nc1cc(OC)ccc1OC ZINC000179743704 822541136 /nfs/dbraw/zinc/54/11/36/822541136.db2.gz FTIZGFSPPUZNQV-QAPCUYQASA-N 1 0 386.492 4.170 20 0 GIADRO O=C(NCC1(c2ccc(C(F)(F)F)cc2)CC1)NC1CC[NH+](C2CCC2)CC1 ZINC000454823967 822541162 /nfs/dbraw/zinc/54/11/62/822541162.db2.gz IPVBLQGMSQXJDM-UHFFFAOYSA-N 1 0 395.469 4.053 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000179744418 822541384 /nfs/dbraw/zinc/54/13/84/822541384.db2.gz DBMDSDQBSNTPDQ-OAQYLSRUSA-N 1 0 398.938 4.498 20 0 GIADRO C[C@H]1CCN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)[C@H]1c1cccc(F)c1 ZINC000179744996 822541402 /nfs/dbraw/zinc/54/14/02/822541402.db2.gz ZVOBZTQKCACUTC-HTAPYJJXSA-N 1 0 396.510 4.230 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1cccc2[nH]ccc21)c1cccc(C(F)(F)F)c1 ZINC000183897293 822542350 /nfs/dbraw/zinc/54/23/50/822542350.db2.gz CUVPEIQUUPCHND-GOSISDBHSA-N 1 0 375.394 4.219 20 0 GIADRO O=C(NCCC[NH2+][C@@H](c1ccco1)c1ccc(Br)cc1)C1CCC1 ZINC000183907012 822544010 /nfs/dbraw/zinc/54/40/10/822544010.db2.gz JDCMPPUWPCCVGQ-GOSISDBHSA-N 1 0 391.309 4.028 20 0 GIADRO C[C@@H](NC(=O)Nc1ccn(CC[NH+](C)C)n1)c1ccc(Cl)c2ccccc21 ZINC000183911853 822544839 /nfs/dbraw/zinc/54/48/39/822544839.db2.gz PWAYLRKXWXKQJQ-CQSZACIVSA-N 1 0 385.899 4.134 20 0 GIADRO C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H](C)[C@H](OC1CCOCC1)c1ccccc1 ZINC000183914580 822545395 /nfs/dbraw/zinc/54/53/95/822545395.db2.gz GWPZARYXYMIURN-LZJOCLMNSA-N 1 0 377.525 4.022 20 0 GIADRO CCN1c2ccc(N[C@H](C)c3ccc(OCC[NH+](C)C)cc3)cc2CCC1=O ZINC000183917437 822545786 /nfs/dbraw/zinc/54/57/86/822545786.db2.gz OZUYCVBLATVBGA-QGZVFWFLSA-N 1 0 381.520 4.099 20 0 GIADRO COc1ccccc1NC(=O)C1CC[NH+](Cc2cc(Cl)cc(C)c2O)CC1 ZINC000179762973 822546292 /nfs/dbraw/zinc/54/62/92/822546292.db2.gz KUPMNYZNCIGVKK-UHFFFAOYSA-N 1 0 388.895 4.213 20 0 GIADRO O=C(Nc1ccccc1O)C1CC[NH+](Cc2cccn2Cc2cccs2)CC1 ZINC000179766737 822547999 /nfs/dbraw/zinc/54/79/99/822547999.db2.gz HKRSDTBTIKAVQW-UHFFFAOYSA-N 1 0 395.528 4.154 20 0 GIADRO C[N@H+](CCCO)C1CCN(C(=O)c2ccc(-c3ccc(C(C)(C)C)cc3)o2)CC1 ZINC000179767403 822548023 /nfs/dbraw/zinc/54/80/23/822548023.db2.gz DEIBYLHTSFIGLT-UHFFFAOYSA-N 1 0 398.547 4.163 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccccc1SCc1cscn1 ZINC000047143104 822548316 /nfs/dbraw/zinc/54/83/16/822548316.db2.gz HFFMXGUTDHTMEY-HNNXBMFYSA-N 1 0 375.563 4.040 20 0 GIADRO Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000047146630 822548328 /nfs/dbraw/zinc/54/83/28/822548328.db2.gz NGHOQJVKHIVMKA-LBPRGKRZSA-N 1 0 396.318 4.419 20 0 GIADRO CCC[C@@H](Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)c1ccc(OC)cc1 ZINC000179767926 822548461 /nfs/dbraw/zinc/54/84/61/822548461.db2.gz ZZLQKEXTNDIMMY-HSZRJFAPSA-N 1 0 395.547 4.346 20 0 GIADRO CC1(C)Cc2occc2[C@H](Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)C1 ZINC000183930995 822549261 /nfs/dbraw/zinc/54/92/61/822549261.db2.gz LJKPGBAKRXWLAP-HXUWFJFHSA-N 1 0 381.520 4.103 20 0 GIADRO CC(C)[C@@H](NC(=O)C[NH2+][C@H](C)c1ccc(NC(=O)C2CC2)cc1)c1ccccc1 ZINC000179773520 822550003 /nfs/dbraw/zinc/55/00/03/822550003.db2.gz PMGNJYSMJGRLBR-UZUQRXQVSA-N 1 0 393.531 4.199 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)NC[C@@H](C)c2nc(C)cs2)CC1 ZINC000183937821 822550273 /nfs/dbraw/zinc/55/02/73/822550273.db2.gz NEYWEQZTSFKQPH-MRXNPFEDSA-N 1 0 380.602 4.099 20 0 GIADRO CC[NH+]1CCN(c2ccccc2N[C@@H](C)c2ccc(-n3ccnc3)cc2)CC1 ZINC000179775623 822550467 /nfs/dbraw/zinc/55/04/67/822550467.db2.gz VFXIJOLDYQUQFS-IBGZPJMESA-N 1 0 375.520 4.187 20 0 GIADRO CCCCOc1ccc(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)cc1OC ZINC000179780069 822551479 /nfs/dbraw/zinc/55/14/79/822551479.db2.gz MBLDZDGYPCQCBL-LJQANCHMSA-N 1 0 394.519 4.296 20 0 GIADRO C[C@H](C[N@H+](C)CCCCCCN1C(=O)c2ccccc2C1=O)c1nccs1 ZINC000183946480 822551822 /nfs/dbraw/zinc/55/18/22/822551822.db2.gz XJBMDHSHAFORCE-MRXNPFEDSA-N 1 0 385.533 4.035 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)cc1 ZINC000047190814 822552786 /nfs/dbraw/zinc/55/27/86/822552786.db2.gz DXLOJNSFUNDBHJ-OXJNMPFZSA-N 1 0 377.488 4.126 20 0 GIADRO CCc1ccc(Cl)c(CC)c1NC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000183954057 822553408 /nfs/dbraw/zinc/55/34/08/822553408.db2.gz KRBRWTQKAVOBCM-UHFFFAOYSA-N 1 0 394.991 4.002 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccccc1NC(=O)c1ccccc1 ZINC000047214929 822554891 /nfs/dbraw/zinc/55/48/91/822554891.db2.gz YEDOISUEHGXIEB-IBGZPJMESA-N 1 0 393.531 4.323 20 0 GIADRO c1cn2c(C[NH+]3CCC(OCCc4ccccc4)CC3)c(C3CC3)nc2s1 ZINC000179801520 822555831 /nfs/dbraw/zinc/55/58/31/822555831.db2.gz NBKVKVJDURSPEW-UHFFFAOYSA-N 1 0 381.545 4.497 20 0 GIADRO C[C@H]1CCC[C@H]([NH+]2CCC(Nc3ccc(CN4C(=O)CCCC4=O)cc3)CC2)C1 ZINC000183972116 822556140 /nfs/dbraw/zinc/55/61/40/822556140.db2.gz OOHZTNMSIQYMHX-AVRDEDQJSA-N 1 0 397.563 4.181 20 0 GIADRO Cc1ccc(CN(C)C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1C ZINC000454922954 822557518 /nfs/dbraw/zinc/55/75/18/822557518.db2.gz XNTRVSWLGJPPNR-UHFFFAOYSA-N 1 0 395.547 4.118 20 0 GIADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000454929127 822558559 /nfs/dbraw/zinc/55/85/59/822558559.db2.gz LZJHGRPIAKJAHZ-FHLIZLRMSA-N 1 0 381.358 4.179 20 0 GIADRO Cc1ccc(-c2noc(CCC[NH2+][C@@H](c3nc(C4CC4)no3)C(C)C)n2)cc1F ZINC000179818244 822558958 /nfs/dbraw/zinc/55/89/58/822558958.db2.gz BHWRPOGITTVBOH-GOSISDBHSA-N 1 0 399.470 4.364 20 0 GIADRO CCCCOc1ccc(C[NH+]2CCC(C(=O)N3CCCC3)CC2)cc1OCC ZINC000179820171 822559405 /nfs/dbraw/zinc/55/94/05/822559405.db2.gz XQUZRQGUWBWOFN-UHFFFAOYSA-N 1 0 388.552 4.099 20 0 GIADRO CC(=O)c1c(C)cc(C)c(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccn3)C2)c1C ZINC000047260423 822559584 /nfs/dbraw/zinc/55/95/84/822559584.db2.gz LVUIHBIZZONUEG-LJQANCHMSA-N 1 0 379.504 4.060 20 0 GIADRO C[N@H+](Cc1ccc(OCC(F)(F)F)cc1)Cc1ccccc1N1CCOCC1 ZINC000047265272 822559993 /nfs/dbraw/zinc/55/99/93/822559993.db2.gz CJSUCBZWOVWPEU-UHFFFAOYSA-N 1 0 394.437 4.096 20 0 GIADRO O=C(NCc1cccc(OCc2ccccc2)c1)NC1CC[NH+](C2CCC2)CC1 ZINC000454945241 822561316 /nfs/dbraw/zinc/56/13/16/822561316.db2.gz CZMLWMBQPKMNCK-UHFFFAOYSA-N 1 0 393.531 4.082 20 0 GIADRO C[C@@H]([NH2+]Cc1nnc(-c2cc3c(s2)CCCC3)o1)[C@H]1COc2ccccc21 ZINC000184001847 822561512 /nfs/dbraw/zinc/56/15/12/822561512.db2.gz XGKOZUKOVLCNFJ-CZUORRHYSA-N 1 0 381.501 4.331 20 0 GIADRO CN(c1ccccc1)c1ccc(C(=O)N2CCC(CCC[NH+](C)C)CC2)cn1 ZINC000179835738 822563026 /nfs/dbraw/zinc/56/30/26/822563026.db2.gz ZRQJUJYOIOTNTH-UHFFFAOYSA-N 1 0 380.536 4.044 20 0 GIADRO O=C(Nc1ccc(OCC(F)(F)F)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000047304119 822563688 /nfs/dbraw/zinc/56/36/88/822563688.db2.gz YZSYZQZUKGLWLD-UHFFFAOYSA-N 1 0 392.421 4.478 20 0 GIADRO Cn1nccc1CC[NH2+][C@H](c1ccccc1)c1cc(Br)ccc1F ZINC000184017202 822564621 /nfs/dbraw/zinc/56/46/21/822564621.db2.gz PFXRJIGNSDLSTJ-LJQANCHMSA-N 1 0 388.284 4.243 20 0 GIADRO C[C@@H]1CN(C(=O)Nc2cccc(OCCF)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000454971841 822564882 /nfs/dbraw/zinc/56/48/82/822564882.db2.gz WLCDLXBDDGTAMM-SFHVURJKSA-N 1 0 385.483 4.021 20 0 GIADRO O=C(Nc1ccc(SC(F)F)cc1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000047318640 822564975 /nfs/dbraw/zinc/56/49/75/822564975.db2.gz UREIELDQZGJNRP-UHFFFAOYSA-N 1 0 392.475 4.182 20 0 GIADRO CSc1ccc([C@H](CNC(=O)Nc2ccc3oc(C)nc3c2)[NH+](C)C)cc1 ZINC000454975769 822565261 /nfs/dbraw/zinc/56/52/61/822565261.db2.gz QEZPPNAOBKHXNO-SFHVURJKSA-N 1 0 384.505 4.283 20 0 GIADRO CSC1(CNC(=O)N[C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)CC[NH+](C)CC1 ZINC000454981295 822565933 /nfs/dbraw/zinc/56/59/33/822565933.db2.gz XHUXQUZEOYYPRR-SJLPKXTDSA-N 1 0 396.000 4.103 20 0 GIADRO Cc1cc(NC(=O)C2CC[NH+](Cc3ccc(-c4ccncc4)cc3F)CC2)no1 ZINC000179855304 822566811 /nfs/dbraw/zinc/56/68/11/822566811.db2.gz NQGOAZYDDQOREX-UHFFFAOYSA-N 1 0 394.450 4.035 20 0 GIADRO O=C(NCc1ccc(-c2ccccc2)cc1F)NC1CC[NH+](C2CCC2)CC1 ZINC000454997132 822567691 /nfs/dbraw/zinc/56/76/91/822567691.db2.gz JSHIUZXUCFNYNA-UHFFFAOYSA-N 1 0 381.495 4.309 20 0 GIADRO CN(C(=O)Nc1cc(F)cc(Cl)c1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000454998812 822567921 /nfs/dbraw/zinc/56/79/21/822567921.db2.gz QCSORCRLOKWMEU-UHFFFAOYSA-N 1 0 381.801 4.360 20 0 GIADRO CCCCn1ncc(NC(=O)NC[C@H](c2ccc(SC)cc2)[NH+](C)C)c1C ZINC000455005001 822569024 /nfs/dbraw/zinc/56/90/24/822569024.db2.gz TUSHRYSVLWSQOC-LJQANCHMSA-N 1 0 389.569 4.138 20 0 GIADRO CCCCn1ccnc1-c1cccc(NC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000455006495 822569414 /nfs/dbraw/zinc/56/94/14/822569414.db2.gz XWIRNEYBWZCOGK-QHCPKHFHSA-N 1 0 395.551 4.300 20 0 GIADRO Cc1cccc(C)c1NC(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000047347051 822569474 /nfs/dbraw/zinc/56/94/74/822569474.db2.gz REVKILMUPZOOEB-UHFFFAOYSA-N 1 0 394.563 4.023 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)CC1 ZINC000184071115 822574042 /nfs/dbraw/zinc/57/40/42/822574042.db2.gz UNCPMDWTROSPAK-MOPGFXCFSA-N 1 0 378.507 4.429 20 0 GIADRO COc1ccc2c(c1)[C@@H]([NH2+]CCCc1nc(-c3ccc(F)cc3)no1)CCCO2 ZINC000184089634 822576324 /nfs/dbraw/zinc/57/63/24/822576324.db2.gz SEQGGDKBGZOKEB-IBGZPJMESA-N 1 0 397.450 4.320 20 0 GIADRO COc1cc(C)c([C@@H](C)[NH2+]CCCc2nc(-c3ccc(F)cc3)no2)cc1OC ZINC000184090424 822576335 /nfs/dbraw/zinc/57/63/35/822576335.db2.gz LSDILFSBGBUADE-OAHLLOKOSA-N 1 0 399.466 4.485 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)c1cccnc1C(F)(F)F ZINC000179918227 822576834 /nfs/dbraw/zinc/57/68/34/822576834.db2.gz JCLFQHYDXSFBMJ-UHFFFAOYSA-N 1 0 391.437 4.406 20 0 GIADRO CCCNC(=O)C1CC[NH+](Cc2cc(C)c(OCc3ccccn3)c(C)c2)CC1 ZINC000179918628 822576889 /nfs/dbraw/zinc/57/68/89/822576889.db2.gz GUUXLKDALPAQTE-UHFFFAOYSA-N 1 0 395.547 4.016 20 0 GIADRO CCO[C@H]1CCN(C(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)C[C@H]1C ZINC000455048935 822580132 /nfs/dbraw/zinc/58/01/32/822580132.db2.gz BAFIOTPXLNYJTP-KNQAVFIVSA-N 1 0 387.568 4.240 20 0 GIADRO Cc1csc([C@@H](C)C[NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)n1 ZINC000184113008 822580205 /nfs/dbraw/zinc/58/02/05/822580205.db2.gz IKDMBPOWQXQSLV-JTQLQIEISA-N 1 0 382.320 4.232 20 0 GIADRO COc1ccc(C[NH2+]C[C@H](C)c2nc(C)cs2)cc1OCc1cccnc1 ZINC000184117147 822580978 /nfs/dbraw/zinc/58/09/78/822580978.db2.gz CZAQQVFJZZQTLY-HNNXBMFYSA-N 1 0 383.517 4.327 20 0 GIADRO CC(=O)N[C@@H](CC(=O)Nc1cccc(C[NH+]2CCCC2)c1)c1ccc(Cl)cc1 ZINC000047452425 822580997 /nfs/dbraw/zinc/58/09/97/822580997.db2.gz RFAUIFQFEFTPEL-NRFANRHFSA-N 1 0 399.922 4.142 20 0 GIADRO C[NH+](C)CC[C@@H](NC(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1)C(C)(C)C ZINC000179939845 822581206 /nfs/dbraw/zinc/58/12/06/822581206.db2.gz KUSLPJPDYDTELU-GOSISDBHSA-N 1 0 391.556 4.059 20 0 GIADRO CN(C(=O)Nc1c(F)cc(Cl)cc1F)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000455055763 822581802 /nfs/dbraw/zinc/58/18/02/822581802.db2.gz DSSLFDPDNZRHIR-UHFFFAOYSA-N 1 0 399.791 4.499 20 0 GIADRO CC[C@@H]1Cc2ccccc2CN1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000184122263 822581933 /nfs/dbraw/zinc/58/19/33/822581933.db2.gz YKSXYXGEZPLSSV-OAQYLSRUSA-N 1 0 392.547 4.116 20 0 GIADRO O=C(Nc1ncccc1Cl)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000179946285 822582846 /nfs/dbraw/zinc/58/28/46/822582846.db2.gz XVQARGAJEMHRNF-KRWDZBQOSA-N 1 0 383.801 4.128 20 0 GIADRO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)[C@@H](C)c2nc3ccccc3s2)cc1 ZINC000179947164 822583032 /nfs/dbraw/zinc/58/30/32/822583032.db2.gz SVWDIRZJYFLHJN-CABCVRRESA-N 1 0 388.558 4.372 20 0 GIADRO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)[C@H](C)c2nc3ccccc3s2)cc1 ZINC000179947200 822583062 /nfs/dbraw/zinc/58/30/62/822583062.db2.gz SVWDIRZJYFLHJN-GJZGRUSLSA-N 1 0 388.558 4.372 20 0 GIADRO CC1CC[NH+](CCc2cccc(NC(=O)N3CCOC[C@@H](C4CCC4)C3)c2)CC1 ZINC000455063786 822583158 /nfs/dbraw/zinc/58/31/58/822583158.db2.gz SXAKZHVVVMNHMK-QFIPXVFZSA-N 1 0 399.579 4.241 20 0 GIADRO COC[C@@H](Cc1ccccc1)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000179955825 822585243 /nfs/dbraw/zinc/58/52/43/822585243.db2.gz WSVWJGBTLLHOGR-HSZRJFAPSA-N 1 0 381.564 4.134 20 0 GIADRO Cc1nn(C)cc1[C@H](C)[NH2+][C@@H]1CCN(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179956180 822585427 /nfs/dbraw/zinc/58/54/27/822585427.db2.gz YFSWEMGDJHFKPD-CJMONDIMSA-N 1 0 378.923 4.396 20 0 GIADRO Cc1cnn(-c2ccc(N[C@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)cc2F)c1 ZINC000179956966 822585608 /nfs/dbraw/zinc/58/56/08/822585608.db2.gz RBNIUAIKSXLHIW-UWJYYQICSA-N 1 0 379.483 4.037 20 0 GIADRO CCCn1cc(C[NH2+]C2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)cn1 ZINC000184150173 822586224 /nfs/dbraw/zinc/58/62/24/822586224.db2.gz QIHWKQKTQLMLSQ-UHFFFAOYSA-N 1 0 381.351 4.354 20 0 GIADRO CC(C)[N@@H+](Cc1ccc(NC(=O)N2CC[C@H]2C2CC2)cc1)C[C@@H]1CCCCO1 ZINC000455079585 822586349 /nfs/dbraw/zinc/58/63/49/822586349.db2.gz SYWMSTLJQTXMNL-VXKWHMMOSA-N 1 0 385.552 4.482 20 0 GIADRO CC(C)[N@@H+](Cc1ccc(NC(=O)N2CCC[C@@H]2CF)cc1)C[C@H]1CCCCO1 ZINC000455079614 822586406 /nfs/dbraw/zinc/58/64/06/822586406.db2.gz TZCRVNZTRMSMQP-NHCUHLMSSA-N 1 0 391.531 4.432 20 0 GIADRO Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)CC1(C[NH3+])CCCCC1 ZINC000184151307 822586432 /nfs/dbraw/zinc/58/64/32/822586432.db2.gz HNPDZWKZPBPRRJ-UHFFFAOYSA-N 1 0 385.552 4.295 20 0 GIADRO CSc1ncc(Cl)c(C(=O)Nc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)n1 ZINC000047522290 822586871 /nfs/dbraw/zinc/58/68/71/822586871.db2.gz YQGVSGXJQNZCRT-ZDUSSCGKSA-N 1 0 390.940 4.479 20 0 GIADRO CC(C)[N@H+](Cc1ccc(NC(=O)NCC[C@@H](C)F)cc1)C[C@H]1CCCCO1 ZINC000455082970 822587029 /nfs/dbraw/zinc/58/70/29/822587029.db2.gz ZEWYQBGTGMJZBJ-YLJYHZDGSA-N 1 0 379.520 4.336 20 0 GIADRO CC(C)S(=O)(=O)CCC[NH2+][C@H](C)c1ccc(Oc2ccccc2)c(F)c1 ZINC000179967130 822587133 /nfs/dbraw/zinc/58/71/33/822587133.db2.gz SQTAEIAMUAWABG-MRXNPFEDSA-N 1 0 379.497 4.482 20 0 GIADRO CC(C)(C)OC(=O)N1CCC([C@H]([NH2+]CC2(C)COC2)c2ccc(F)cc2)CC1 ZINC000184158213 822587697 /nfs/dbraw/zinc/58/76/97/822587697.db2.gz CMIYFISKBAYSEL-LJQANCHMSA-N 1 0 392.515 4.140 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(-n2cc[nH]c2=S)cc1)c1ccccc1 ZINC000047536933 822588289 /nfs/dbraw/zinc/58/82/89/822588289.db2.gz ZHXIZOYXMYGQBQ-HXUWFJFHSA-N 1 0 394.544 4.348 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1cncc(F)c1 ZINC000179972874 822588318 /nfs/dbraw/zinc/58/83/18/822588318.db2.gz UWURAJDKYDBFJK-SCLBCKFNSA-N 1 0 395.400 4.081 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCC[C@@H]1c1cccs1)c1ccc2c(c1)CCC(=O)N2 ZINC000179976785 822589030 /nfs/dbraw/zinc/58/90/30/822589030.db2.gz YMCCEEIIHYFREM-ZRGWGRIASA-N 1 0 397.544 4.036 20 0 GIADRO O=C(Nc1ccc(Oc2ccccc2)cn1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000455103561 822589281 /nfs/dbraw/zinc/58/92/81/822589281.db2.gz FVADYCCQMXAKNS-SFHVURJKSA-N 1 0 380.492 4.214 20 0 GIADRO O=C(NCC[NH2+][C@H](c1cccc(Cl)c1)C1CCCCC1)C1N=CC=CC1=O ZINC000184167673 822589451 /nfs/dbraw/zinc/58/94/51/822589451.db2.gz SDWZYAWQLVHBOI-WCZGFUKNSA-N 1 0 387.911 4.077 20 0 GIADRO Cn1cc([C@H]([NH2+]C[C@H](c2ccco2)N2CCCCC2)c2cccc(F)c2)cn1 ZINC000179980020 822589719 /nfs/dbraw/zinc/58/97/19/822589719.db2.gz HROWFEAYTWSDKA-IFMALSPDSA-N 1 0 382.483 4.058 20 0 GIADRO Cn1cc([C@H]([NH2+]C[C@@H](c2ccco2)N2CCCCC2)c2cccc(F)c2)cn1 ZINC000179979989 822589739 /nfs/dbraw/zinc/58/97/39/822589739.db2.gz HROWFEAYTWSDKA-RBBKRZOGSA-N 1 0 382.483 4.058 20 0 GIADRO CC(C)COC[C@@H]([NH2+]C[C@@H](O)c1cccc(Br)c1)c1ccco1 ZINC000184169374 822589913 /nfs/dbraw/zinc/58/99/13/822589913.db2.gz OFYDQEHQCBRHHD-IAGOWNOFSA-N 1 0 382.298 4.079 20 0 GIADRO CN(C)[C@H](C[NH2+][C@H](c1cnn(C)c1)c1cccc(F)c1)c1ccccc1Cl ZINC000179984236 822590731 /nfs/dbraw/zinc/59/07/31/822590731.db2.gz OONSJOMJGRZWPQ-RTWAWAEBSA-N 1 0 386.902 4.195 20 0 GIADRO COc1cc(C[NH2+]CCCc2nc(-c3ccc(F)cc3)no2)ccc1OC(C)C ZINC000184175778 822591230 /nfs/dbraw/zinc/59/12/30/822591230.db2.gz FSJKQEMWQKPDIZ-UHFFFAOYSA-N 1 0 399.466 4.394 20 0 GIADRO [NH3+]CC1(CC(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)no2)CCCCC1 ZINC000184179655 822591676 /nfs/dbraw/zinc/59/16/76/822591676.db2.gz ZTBHTHKNENWYKU-GOSISDBHSA-N 1 0 382.508 4.090 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@H]1CSc2ccccc21 ZINC000455124648 822592525 /nfs/dbraw/zinc/59/25/25/822592525.db2.gz IWZSOKCRDGLVHZ-IBGZPJMESA-N 1 0 383.561 4.169 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CSc2ccccc21 ZINC000455128487 822593491 /nfs/dbraw/zinc/59/34/91/822593491.db2.gz UFQWIHOHEOCGQD-WOJBJXKFSA-N 1 0 395.572 4.039 20 0 GIADRO COc1ccc([C@@H]([NH2+]C2CCN(CC(=O)Nc3ccccc3)CC2)C(C)C)cc1 ZINC000180003872 822594037 /nfs/dbraw/zinc/59/40/37/822594037.db2.gz UXLANFGCOZBXSE-DEOSSOPVSA-N 1 0 395.547 4.085 20 0 GIADRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)c3c(F)cccc3Cl)cc2)C[C@H](C)O1 ZINC000047588674 822594624 /nfs/dbraw/zinc/59/46/24/822594624.db2.gz OLXNWTOQZMJERJ-GASCZTMLSA-N 1 0 390.886 4.018 20 0 GIADRO CC[C@@H]1Oc2cc([C@H](C)[NH2+]CC(=O)Nc3ccccc3C(C)C)ccc2NC1=O ZINC000180009885 822595594 /nfs/dbraw/zinc/59/55/94/822595594.db2.gz ULGLEXJSFNQTIU-YWZLYKJASA-N 1 0 395.503 4.209 20 0 GIADRO C[C@@H]([NH2+]C[C@H]1COC2(CCCCCC2)O1)c1ccc(OCc2nccn2C)cc1 ZINC000180011043 822596039 /nfs/dbraw/zinc/59/60/39/822596039.db2.gz HHVWGVGEYALJQD-NQIIRXRSSA-N 1 0 399.535 4.116 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc3ncccc32)cc1OC ZINC000047608685 822596286 /nfs/dbraw/zinc/59/62/86/822596286.db2.gz YHYHCYYWPSJAIK-CVEARBPZSA-N 1 0 393.487 4.320 20 0 GIADRO CCOc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(OCC)c(OC)c2)cc1 ZINC000047608834 822596315 /nfs/dbraw/zinc/59/63/15/822596315.db2.gz VESCDNKMFNANGJ-HZPDHXFCSA-N 1 0 386.492 4.170 20 0 GIADRO Cc1cc(Br)c(F)cc1NC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000455144879 822596345 /nfs/dbraw/zinc/59/63/45/822596345.db2.gz FJNFYXUWVSYUCT-LBPRGKRZSA-N 1 0 398.320 4.235 20 0 GIADRO CC(C)CS(=O)(=O)N1CCC([NH2+][C@H](C)c2cc(Cl)sc2Cl)CC1 ZINC000180018613 822597733 /nfs/dbraw/zinc/59/77/33/822597733.db2.gz XNXAERZVBAHORO-LLVKDONJSA-N 1 0 399.409 4.156 20 0 GIADRO CC(C)c1csc(NC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000180024943 822599367 /nfs/dbraw/zinc/59/93/67/822599367.db2.gz MFBBHXSIIVJPBL-UHFFFAOYSA-N 1 0 387.553 4.432 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCCCC1(F)F ZINC000455164494 822600183 /nfs/dbraw/zinc/60/01/83/822600183.db2.gz JZMHNYSGFHBZRE-PMACEKPBSA-N 1 0 393.522 4.366 20 0 GIADRO CCC(CC)C(=O)N1CCC([NH2+][C@@H](C)c2nc3ccc(Cl)cc3n2C)CC1 ZINC000180030467 822600867 /nfs/dbraw/zinc/60/08/67/822600867.db2.gz WLLFWVRXYZSIPH-AWEZNQCLSA-N 1 0 390.959 4.305 20 0 GIADRO COC(=O)Nc1cccc(NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000047711666 822601976 /nfs/dbraw/zinc/60/19/76/822601976.db2.gz QYLRKIQRTPQGLO-UHFFFAOYSA-N 1 0 396.491 4.173 20 0 GIADRO COc1ccc([C@@H](O)C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180048101 822603915 /nfs/dbraw/zinc/60/39/15/822603915.db2.gz SHCNGUAVXKKUCH-VXKWHMMOSA-N 1 0 378.428 4.016 20 0 GIADRO CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccc(OC)cc2OC)cc1 ZINC000047724637 822604167 /nfs/dbraw/zinc/60/41/67/822604167.db2.gz ANWUMXRAJQNCEH-INIZCTEOSA-N 1 0 385.508 4.428 20 0 GIADRO CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccc(NC(C)=O)cc2)cc1 ZINC000047724014 822604221 /nfs/dbraw/zinc/60/42/21/822604221.db2.gz HCQSBUZCIKNVRQ-MRXNPFEDSA-N 1 0 382.508 4.370 20 0 GIADRO COc1ccc([C@H]([NH2+]CC2(c3ccc4c(c3)OCO4)CCOCC2)C2CC2)cc1 ZINC000180051002 822604638 /nfs/dbraw/zinc/60/46/38/822604638.db2.gz TWDBRYPFPOCEPV-HSZRJFAPSA-N 1 0 395.499 4.213 20 0 GIADRO C[C@H](C[S@](C)=O)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000184267514 822605927 /nfs/dbraw/zinc/60/59/27/822605927.db2.gz AIWBIXUUDMZAEK-WZQKQDCOSA-N 1 0 387.936 4.049 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)c3scnc3C3CCCC3)c2)CC1 ZINC000184272848 822606769 /nfs/dbraw/zinc/60/67/69/822606769.db2.gz VVQULXWDKAETNQ-UHFFFAOYSA-N 1 0 384.549 4.195 20 0 GIADRO CN(C)S(=O)(=O)c1ccc(C[NH2+]Cc2cccc(Oc3ccccc3)c2)cc1 ZINC000047771154 822608234 /nfs/dbraw/zinc/60/82/34/822608234.db2.gz LBXSGOWQHZJAMU-UHFFFAOYSA-N 1 0 396.512 4.019 20 0 GIADRO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+]C[C@H](C)c1nccs1 ZINC000184292552 822609802 /nfs/dbraw/zinc/60/98/02/822609802.db2.gz FLNSODOGDKWBKS-LBPRGKRZSA-N 1 0 378.904 4.382 20 0 GIADRO CCc1nn(C)cc1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000180074258 822610155 /nfs/dbraw/zinc/61/01/55/822610155.db2.gz YRVAGLGEAPXWRA-UHFFFAOYSA-N 1 0 389.478 4.264 20 0 GIADRO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(OCC(C)C)c(OC)c2)cc1 ZINC000180088459 822612891 /nfs/dbraw/zinc/61/28/91/822612891.db2.gz RJRNUVLNXANFLK-INIZCTEOSA-N 1 0 386.492 4.028 20 0 GIADRO CC(C)Oc1ccccc1[C@@H](C)NC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000047832293 822613243 /nfs/dbraw/zinc/61/32/43/822613243.db2.gz LVUIDLRMYUIBJV-WBVHZDCISA-N 1 0 375.538 4.198 20 0 GIADRO C[C@H](NC(=O)NC[C@@H](c1cccs1)[NH+](C)C)c1ccc(C(F)(F)F)cc1 ZINC000047833991 822613496 /nfs/dbraw/zinc/61/34/96/822613496.db2.gz QFMBHKJUANQLOI-WFASDCNBSA-N 1 0 385.455 4.430 20 0 GIADRO CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+][C@@H](c2ccccc2C)C(C)(C)C)cc1 ZINC000180093969 822614058 /nfs/dbraw/zinc/61/40/58/822614058.db2.gz QXIZBVVAJQKOBB-UGKGYDQZSA-N 1 0 384.520 4.070 20 0 GIADRO Cc1cc(C)n(-c2ccc(NC(=O)NCc3cccc(C[NH+](C)C)c3)cc2F)n1 ZINC000047859926 822614445 /nfs/dbraw/zinc/61/44/45/822614445.db2.gz ADEXNNDBUPXWBW-UHFFFAOYSA-N 1 0 395.482 4.012 20 0 GIADRO Cc1cc(C)n(-c2ccc(NC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)cc2F)n1 ZINC000047859123 822614473 /nfs/dbraw/zinc/61/44/73/822614473.db2.gz ABVBDSLFZZYRRV-UHFFFAOYSA-N 1 0 387.503 4.059 20 0 GIADRO O=C(Nc1ccccc1SC(F)(F)F)N1CCN(c2cc[nH+]cc2)CC1 ZINC000047863448 822614805 /nfs/dbraw/zinc/61/48/05/822614805.db2.gz XCSZMBKHQJSGBK-UHFFFAOYSA-N 1 0 382.411 4.048 20 0 GIADRO COc1cc([C@H](C)[NH2+]CC(=O)Nc2ccc(C(C)=O)cc2)ccc1OCC(C)C ZINC000180098321 822614850 /nfs/dbraw/zinc/61/48/50/822614850.db2.gz IMRMUWMHPWKOIT-INIZCTEOSA-N 1 0 398.503 4.222 20 0 GIADRO CCC(CC)n1nc(C)cc1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000180104610 822615800 /nfs/dbraw/zinc/61/58/00/822615800.db2.gz GDRLTHWOCPTTBY-UHFFFAOYSA-N 1 0 386.565 4.354 20 0 GIADRO CC[C@@H](C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(OC)cc1 ZINC000180108789 822617023 /nfs/dbraw/zinc/61/70/23/822617023.db2.gz QPHAWJQUDOXAPE-DYESRHJHSA-N 1 0 386.561 4.279 20 0 GIADRO COc1ccc2oc([C@@H](C)[NH2+][C@H](C)C(=O)NCCc3cccs3)c(C)c2c1 ZINC000184332434 822617113 /nfs/dbraw/zinc/61/71/13/822617113.db2.gz PVKVEGGDRHARSB-HUUCEWRRSA-N 1 0 386.517 4.209 20 0 GIADRO C[NH+](C)CCCC1CCN(C(=O)c2csc(-c3ccc(F)c(F)c3)n2)CC1 ZINC000180123414 822620124 /nfs/dbraw/zinc/62/01/24/822620124.db2.gz XCQASVZGTJMTKD-UHFFFAOYSA-N 1 0 393.503 4.282 20 0 GIADRO O=C(NCc1ncc(-c2ccccc2)o1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000047927837 822620512 /nfs/dbraw/zinc/62/05/12/822620512.db2.gz LCUSAWGGTAXKCT-UHFFFAOYSA-N 1 0 375.472 4.258 20 0 GIADRO CCCc1c(NC(=O)NCCCC[N@H+](C)C2CC2)cnn1-c1ccc(C)cc1 ZINC000455263091 822620624 /nfs/dbraw/zinc/62/06/24/822620624.db2.gz AREISVRIFKFLNU-UHFFFAOYSA-N 1 0 383.540 4.129 20 0 GIADRO C[C@H](NC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)c1cccc(OC(F)F)c1 ZINC000047936028 822620868 /nfs/dbraw/zinc/62/08/68/822620868.db2.gz NBHIGUVTVKTIFN-UGSOOPFHSA-N 1 0 395.425 4.090 20 0 GIADRO C[C@@H](NC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)c1cccc(OC(F)F)c1 ZINC000047936031 822620875 /nfs/dbraw/zinc/62/08/75/822620875.db2.gz NBHIGUVTVKTIFN-FZKQIMNGSA-N 1 0 395.425 4.090 20 0 GIADRO Brc1ccc([C@@H]([NH2+]CCCOCC2CCOCC2)C2CC2)cc1 ZINC000180127758 822621281 /nfs/dbraw/zinc/62/12/81/822621281.db2.gz KLCHMLFELYZFRM-IBGZPJMESA-N 1 0 382.342 4.323 20 0 GIADRO CCCc1c(NC(=O)NCCCC[N@H+](C)C2CC2)cnn1-c1ccccc1C ZINC000455274965 822624344 /nfs/dbraw/zinc/62/43/44/822624344.db2.gz MVIOIRNEGYTSSO-UHFFFAOYSA-N 1 0 383.540 4.129 20 0 GIADRO O=C(C[N@H+](C1CC1)C1CCCCC1)Nc1ccccc1I ZINC000048008820 822624996 /nfs/dbraw/zinc/62/49/96/822624996.db2.gz SKHRZZVJMIUXEJ-UHFFFAOYSA-N 1 0 398.288 4.027 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(Cl)cc2OC(F)F)[C@H](C)C1 ZINC000184379038 822625016 /nfs/dbraw/zinc/62/50/16/822625016.db2.gz IQBHMVIHLMAQPN-BXUZGUMPSA-N 1 0 375.847 4.135 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(N2CCOCC2)cc1)c1cc2ccccc2s1 ZINC000184380503 822625190 /nfs/dbraw/zinc/62/51/90/822625190.db2.gz PRYZSDJASWRLGC-MRXNPFEDSA-N 1 0 395.528 4.027 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](Cc1ccccc1)c1ccccc1)c1ccc(S(N)(=O)=O)cc1 ZINC000180143433 822625569 /nfs/dbraw/zinc/62/55/69/822625569.db2.gz RCEUBUCATBAHBM-XMSQKQJNSA-N 1 0 394.540 4.011 20 0 GIADRO CCc1c(NC(=O)NCCCC[N@H+](C)C2CC2)cnn1-c1ccc(Cl)cc1 ZINC000455282635 822626405 /nfs/dbraw/zinc/62/64/05/822626405.db2.gz OMLIMCMWDUPELF-UHFFFAOYSA-N 1 0 389.931 4.084 20 0 GIADRO CC[C@H]([NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl)c1nc(C)cs1 ZINC000184388477 822626567 /nfs/dbraw/zinc/62/65/67/822626567.db2.gz WLVWVRJCBHEVOF-OCCSQVGLSA-N 1 0 375.321 4.239 20 0 GIADRO C[C@@H]1CCCN(C(=O)C2CC[NH+](CCCOc3ccc(Cl)cc3)CC2)C1 ZINC000048047388 822626672 /nfs/dbraw/zinc/62/66/72/822626672.db2.gz MFQASDJOBKZOCT-QGZVFWFLSA-N 1 0 378.944 4.079 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000048051241 822626995 /nfs/dbraw/zinc/62/69/95/822626995.db2.gz KXIMEGGDIUAZQI-UHFFFAOYSA-N 1 0 379.863 4.083 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1ccc(Br)cc1F)c1ccc(F)cc1 ZINC000048051957 822627231 /nfs/dbraw/zinc/62/72/31/822627231.db2.gz JIYJYQGHUIHHHD-MRXNPFEDSA-N 1 0 398.251 4.152 20 0 GIADRO Cc1ccc([C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)N(C)C)cc1 ZINC000180152159 822627916 /nfs/dbraw/zinc/62/79/16/822627916.db2.gz MHSZCJQEORLLIX-OTYNDTSQSA-N 1 0 387.568 4.118 20 0 GIADRO CCN(CC)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)c1ccco1 ZINC000180152405 822627919 /nfs/dbraw/zinc/62/79/19/822627919.db2.gz LFNNAHDUCRJSQX-XVLXNVKGSA-N 1 0 391.556 4.183 20 0 GIADRO C[NH+]1CCN(c2ccccc2NC(=O)N2CCC[C@@H]2c2ccccc2Cl)CC1 ZINC000048059295 822628119 /nfs/dbraw/zinc/62/81/19/822628119.db2.gz DYTGKDBIMXEXIX-HXUWFJFHSA-N 1 0 398.938 4.461 20 0 GIADRO CCc1c(NC(=O)NCCCC[N@H+](C)C2CC2)cnn1-c1cccc(Cl)c1 ZINC000455288758 822628385 /nfs/dbraw/zinc/62/83/85/822628385.db2.gz WAQAMBHUVILWFA-UHFFFAOYSA-N 1 0 389.931 4.084 20 0 GIADRO C[C@H](Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1ccc([S@](C)=O)cc1 ZINC000180155629 822628660 /nfs/dbraw/zinc/62/86/60/822628660.db2.gz STIMCBXDMDJXGE-JMQGSBJISA-N 1 0 397.588 4.129 20 0 GIADRO C[C@H](NC(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1cccnc1 ZINC000048067526 822628937 /nfs/dbraw/zinc/62/89/37/822628937.db2.gz BUORZUPLDMMOOI-OTWHNJEPSA-N 1 0 380.536 4.120 20 0 GIADRO COc1ccc([C@H](CCO)[NH2+][C@H]2CCc3c2cccc3Br)cc1 ZINC000180157464 822628970 /nfs/dbraw/zinc/62/89/70/822628970.db2.gz GUHLSCLPVACJNS-OALUTQOASA-N 1 0 376.294 4.158 20 0 GIADRO COc1ccc([C@@H](CCO)[NH2+][C@@H]2CCc3c2cccc3Br)cc1 ZINC000180157424 822629056 /nfs/dbraw/zinc/62/90/56/822629056.db2.gz GUHLSCLPVACJNS-RTBURBONSA-N 1 0 376.294 4.158 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)Nc2ccccc2OCC(F)(F)F)CC1 ZINC000048072765 822629168 /nfs/dbraw/zinc/62/91/68/822629168.db2.gz PNGOXODKPSXWAK-UHFFFAOYSA-N 1 0 387.446 4.212 20 0 GIADRO COc1ccc([C@@H]([NH2+]C[C@@H](c2ccc(OC)c(OC)c2)N(C)C)C2CC2)cc1 ZINC000180159168 822629417 /nfs/dbraw/zinc/62/94/17/822629417.db2.gz CRBZQZMLDBCIHS-REWPJTCUSA-N 1 0 384.520 4.056 20 0 GIADRO C[C@@H](CNC(=O)Nc1ccc(N(C)C)cc1C(F)(F)F)C[NH+]1CCCCC1 ZINC000048077453 822629790 /nfs/dbraw/zinc/62/97/90/822629790.db2.gz DXKIYQDJCXMUCJ-AWEZNQCLSA-N 1 0 386.462 4.015 20 0 GIADRO Cn1c2cccc(Cl)c2nc1NC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000184411378 822630119 /nfs/dbraw/zinc/63/01/19/822630119.db2.gz AZVDTJUHYAJDFX-UHFFFAOYSA-N 1 0 382.851 4.287 20 0 GIADRO CCc1noc(-c2ccc(CC[NH2+][C@@H](C)c3nc4ccccc4n3C)cc2)n1 ZINC000180165673 822630853 /nfs/dbraw/zinc/63/08/53/822630853.db2.gz TXWRNQNVLXMMOP-HNNXBMFYSA-N 1 0 375.476 4.079 20 0 GIADRO C[C@H]([NH2+]CCCC(=O)N1CCc2ccccc21)c1nc2ccc(Cl)cc2n1C ZINC000180172943 822632375 /nfs/dbraw/zinc/63/23/75/822632375.db2.gz ZQMZOSAETTWKNZ-HNNXBMFYSA-N 1 0 396.922 4.247 20 0 GIADRO COc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1OC1CCCC1 ZINC000184427863 822633154 /nfs/dbraw/zinc/63/31/54/822633154.db2.gz HFLOPUYDOGXRQI-NQIIRXRSSA-N 1 0 398.547 4.106 20 0 GIADRO COc1ccccc1[C@@H](NC1CC[NH+](CCC(F)(F)F)CC1)c1ccco1 ZINC000180180042 822633524 /nfs/dbraw/zinc/63/35/24/822633524.db2.gz XKGYLWYPIIIJRR-LJQANCHMSA-N 1 0 382.426 4.384 20 0 GIADRO O=C(Nc1nc(Cc2ccccc2)cs1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000184438111 822634954 /nfs/dbraw/zinc/63/49/54/822634954.db2.gz CKIJJIBAPXLISU-FXAWDEMLSA-N 1 0 396.560 4.215 20 0 GIADRO C[NH+](C)CCCC1CCN(C(=O)Nc2nc(Cc3ccccc3)cs2)CC1 ZINC000184438253 822634971 /nfs/dbraw/zinc/63/49/71/822634971.db2.gz HRMWBJWSIDCVFC-UHFFFAOYSA-N 1 0 386.565 4.320 20 0 GIADRO Cc1ccc(-c2cccnc2)cc1NC(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000455328117 822635254 /nfs/dbraw/zinc/63/52/54/822635254.db2.gz QQXURGMXOHXICI-QGZVFWFLSA-N 1 0 378.520 4.395 20 0 GIADRO COCc1nc2n(n1)C[C@H]([NH2+][C@@H](c1ccc(Cl)c(Cl)c1)C(C)C)CC2 ZINC000180189269 822635614 /nfs/dbraw/zinc/63/56/14/822635614.db2.gz GZDYTLJWGXMXOP-FZKQIMNGSA-N 1 0 383.323 4.033 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(Sc2ccccc2)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000180197510 822637480 /nfs/dbraw/zinc/63/74/80/822637480.db2.gz BNMDBUFXKQTFDE-MRXNPFEDSA-N 1 0 398.553 4.336 20 0 GIADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)Nc2ccc(N3CCCC3)c(F)c2)C1 ZINC000048139356 822637801 /nfs/dbraw/zinc/63/78/01/822637801.db2.gz HRGNHLMWCBCTDR-QGZVFWFLSA-N 1 0 376.520 4.060 20 0 GIADRO CCOc1ccc(NC(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)c(C)c1 ZINC000048142444 822638433 /nfs/dbraw/zinc/63/84/33/822638433.db2.gz AADSUSPQBBPYEQ-QFIPXVFZSA-N 1 0 397.519 4.361 20 0 GIADRO CC(C)n1nc(-c2ccco2)cc1NC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000455353094 822638909 /nfs/dbraw/zinc/63/89/09/822638909.db2.gz ZADMTPOBCKJCSV-INIZCTEOSA-N 1 0 385.512 4.062 20 0 GIADRO C[C@@H]([NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000180215920 822640987 /nfs/dbraw/zinc/64/09/87/822640987.db2.gz ZQTYUHASAQYVIJ-KZULUSFZSA-N 1 0 398.450 4.155 20 0 GIADRO O=C(C[C@@H](c1ccccc1)C(F)(F)F)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180216579 822641176 /nfs/dbraw/zinc/64/11/76/822641176.db2.gz OMCZTJQCSUVTBM-IBGZPJMESA-N 1 0 391.437 4.150 20 0 GIADRO Cc1nc(-c2ccccc2)sc1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180218119 822641337 /nfs/dbraw/zinc/64/13/37/822641337.db2.gz NRYPCHDRUIFNDH-UHFFFAOYSA-N 1 0 392.528 4.160 20 0 GIADRO Cc1cccc(-n2ccnc2SCC(=O)Nc2ccccc2C[NH+](C)C)c1C ZINC000048169228 822641766 /nfs/dbraw/zinc/64/17/66/822641766.db2.gz BZGFMPHTOKAPDZ-UHFFFAOYSA-N 1 0 394.544 4.282 20 0 GIADRO Cc1ccc(OCc2ccccc2)c(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000455374487 822642734 /nfs/dbraw/zinc/64/27/34/822642734.db2.gz AGTHYLLUAJWHPH-IHWFROFDSA-N 1 0 379.504 4.321 20 0 GIADRO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000180232984 822644852 /nfs/dbraw/zinc/64/48/52/822644852.db2.gz DUNSOUSWDQHQBK-XSDIEEQYSA-N 1 0 388.552 4.437 20 0 GIADRO CN1CCO[C@H]([C@H]([NH2+]Cc2ccc(C(F)F)cc2)c2ccc(Cl)cc2)C1 ZINC000184496116 822645491 /nfs/dbraw/zinc/64/54/91/822645491.db2.gz YOLGHHCHRIWTLX-RBUKOAKNSA-N 1 0 380.866 4.439 20 0 GIADRO O=C([C@H]1CCn2ccnc2C1)N1CCCC[C@H]1c1ccccc1C(F)(F)F ZINC000455393489 822645800 /nfs/dbraw/zinc/64/58/00/822645800.db2.gz ZFYURQWOQQBLTM-YOEHRIQHSA-N 1 0 377.410 4.218 20 0 GIADRO O=C([C@@H]1CCn2ccnc2C1)N1CCCC[C@@H]1c1ccccc1C(F)(F)F ZINC000455393484 822645804 /nfs/dbraw/zinc/64/58/04/822645804.db2.gz ZFYURQWOQQBLTM-RHSMWYFYSA-N 1 0 377.410 4.218 20 0 GIADRO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000048230331 822647316 /nfs/dbraw/zinc/64/73/16/822647316.db2.gz DTSZTDGXCZPCJJ-STQMWFEESA-N 1 0 393.890 4.293 20 0 GIADRO CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(-n3ccnc3)cc2)c2ccc(F)cc2C1 ZINC000184511242 822648131 /nfs/dbraw/zinc/64/81/31/822648131.db2.gz SZALXXBPCHQRAG-HJPURHCSSA-N 1 0 392.478 4.156 20 0 GIADRO Cc1ccc(NC(=O)C(C)C)cc1NC(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000048255945 822648906 /nfs/dbraw/zinc/64/89/06/822648906.db2.gz UCUMGIRUCLNMAA-UHFFFAOYSA-N 1 0 396.535 4.185 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)C[NH2+][C@@H](c2ccc(Cl)cc2F)C(C)C)cc1 ZINC000180258625 822649605 /nfs/dbraw/zinc/64/96/05/822649605.db2.gz LZZKUNDTFSPMSE-HXUWFJFHSA-N 1 0 391.874 4.363 20 0 GIADRO CCc1nc(C)c([C@@H](C)[NH2+][C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)s1 ZINC000184520904 822649964 /nfs/dbraw/zinc/64/99/64/822649964.db2.gz VYMOVFXAAJEDMO-KZULUSFZSA-N 1 0 375.513 4.297 20 0 GIADRO c1cn(-c2ccccc2)nc1C[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000180260870 822650037 /nfs/dbraw/zinc/65/00/37/822650037.db2.gz NSSLAFWUCDXCJE-UHFFFAOYSA-N 1 0 375.501 4.113 20 0 GIADRO CC(=O)Nc1ccc(C)c(NC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)c1 ZINC000048269654 822650057 /nfs/dbraw/zinc/65/00/57/822650057.db2.gz AUXVGMVZPXGGPR-UHFFFAOYSA-N 1 0 382.508 4.115 20 0 GIADRO CC(=O)c1cc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)ccc1F ZINC000455418686 822650265 /nfs/dbraw/zinc/65/02/65/822650265.db2.gz JBYOSFHCIPBOCA-MRXNPFEDSA-N 1 0 383.467 4.014 20 0 GIADRO COc1ccccc1COC[C@H](O)C[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000184524291 822650585 /nfs/dbraw/zinc/65/05/85/822650585.db2.gz FKYJRKYIBXMHJY-QFBILLFUSA-N 1 0 398.528 4.047 20 0 GIADRO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000184523814 822650618 /nfs/dbraw/zinc/65/06/18/822650618.db2.gz XVIIULCBPAZKGJ-XZOQPEGZSA-N 1 0 382.479 4.295 20 0 GIADRO CC(C)(C[NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1cccc(Cl)c1F ZINC000184527506 822651262 /nfs/dbraw/zinc/65/12/62/822651262.db2.gz PJYMYATYJOXMDO-UHFFFAOYSA-N 1 0 378.875 4.244 20 0 GIADRO CCc1nc2c(s1)[C@@H]([NH2+][C@@H]1CCN(C(C)=O)Cc3cc(F)ccc31)CCC2 ZINC000184527453 822651314 /nfs/dbraw/zinc/65/13/14/822651314.db2.gz RIGLYRHPFPILGA-MSOLQXFVSA-N 1 0 387.524 4.305 20 0 GIADRO CSc1ccc([C@H](CNC(=O)Nc2ncsc2C(C)C)[NH+](C)C)cc1 ZINC000455428457 822651828 /nfs/dbraw/zinc/65/18/28/822651828.db2.gz HVBCKIPQPTZUTF-HNNXBMFYSA-N 1 0 378.567 4.413 20 0 GIADRO Cc1cc(NC(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)c(F)cc1Br ZINC000455429158 822652076 /nfs/dbraw/zinc/65/20/76/822652076.db2.gz RBWDNEUFNGYUFA-GFCCVEGCSA-N 1 0 398.320 4.235 20 0 GIADRO CC(=O)Nc1ccccc1C[NH2+]C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000184531464 822652125 /nfs/dbraw/zinc/65/21/25/822652125.db2.gz LEAKTPLRIQYZKH-IBGZPJMESA-N 1 0 379.426 4.056 20 0 GIADRO CN(C)[C@H](C[NH2+]Cc1ccc(N2CCCC2)nc1)c1cccc(C(F)(F)F)c1 ZINC000184531197 822652146 /nfs/dbraw/zinc/65/21/46/822652146.db2.gz DDXJSYIXRXTGKH-LJQANCHMSA-N 1 0 392.469 4.093 20 0 GIADRO C[C@@H]1CC[N@H+](Cc2ccc(Br)c3cccnc23)C[C@@H]1n1ccnc1 ZINC000180271692 822652170 /nfs/dbraw/zinc/65/21/70/822652170.db2.gz ZXOQUSOEKZLZRV-KDOFPFPSSA-N 1 0 385.309 4.277 20 0 GIADRO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)CC3 ZINC000180274799 822652550 /nfs/dbraw/zinc/65/25/50/822652550.db2.gz WOQDQLGFIKYPAC-DOTOQJQBSA-N 1 0 382.529 4.088 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CCSCc1ccccn1 ZINC000048323455 822653630 /nfs/dbraw/zinc/65/36/30/822653630.db2.gz FBIIRCDILPKMRA-IBGZPJMESA-N 1 0 397.588 4.396 20 0 GIADRO CC(C)[C@@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(C(F)(F)F)c1 ZINC000455443620 822655093 /nfs/dbraw/zinc/65/50/93/822655093.db2.gz IKZNCJKCKNOQCM-HQSKLWIPSA-N 1 0 383.458 4.327 20 0 GIADRO O=C(c1cc2cc(Cl)ccc2o1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000180286982 822655813 /nfs/dbraw/zinc/65/58/13/822655813.db2.gz VQPCCRMOEFUJPX-UHFFFAOYSA-N 1 0 390.911 4.051 20 0 GIADRO C[C@@H](Oc1ccccc1NC(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1)C(F)(F)F ZINC000455451724 822656974 /nfs/dbraw/zinc/65/69/74/822656974.db2.gz UGJDVSZTVKLTBV-HUUCEWRRSA-N 1 0 399.457 4.354 20 0 GIADRO Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000180294628 822658015 /nfs/dbraw/zinc/65/80/15/822658015.db2.gz KBMDXQLNHGFGSC-OALUTQOASA-N 1 0 399.539 4.083 20 0 GIADRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3scnc3C3CCCC3)C2)CC1 ZINC000184572804 822659462 /nfs/dbraw/zinc/65/94/62/822659462.db2.gz ICWIFGKRHGGJIF-KRWDZBQOSA-N 1 0 375.582 4.385 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)c2cc(Br)ccc2F)CC1 ZINC000048402175 822659854 /nfs/dbraw/zinc/65/98/54/822659854.db2.gz IBQYJGFVAQKFST-UHFFFAOYSA-N 1 0 385.321 4.172 20 0 GIADRO Cc1cccc(C(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2cccc(C)c2)c1 ZINC000455468567 822660290 /nfs/dbraw/zinc/66/02/90/822660290.db2.gz FFIIAIWRSPUAFH-FRIKZZABSA-N 1 0 377.532 4.317 20 0 GIADRO CC(C)Oc1ccc([C@H](C)NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000180307490 822661007 /nfs/dbraw/zinc/66/10/07/822661007.db2.gz YPCCVCLCDSSDAI-SFHVURJKSA-N 1 0 396.535 4.146 20 0 GIADRO CC(C)[C@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(C(F)(F)F)cc1 ZINC000455471586 822661082 /nfs/dbraw/zinc/66/10/82/822661082.db2.gz JAOVOADCNIZZNJ-FBVQUNGASA-N 1 0 383.458 4.327 20 0 GIADRO O[C@H](C[NH2+]C1CCN(CCC(F)(F)F)CC1)c1ccc(-c2ccccc2)cc1 ZINC000184586966 822661947 /nfs/dbraw/zinc/66/19/47/822661947.db2.gz FJAZSCNSYBYNTB-OAQYLSRUSA-N 1 0 392.465 4.393 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1c(C)cc(C)nc1C ZINC000455479350 822662408 /nfs/dbraw/zinc/66/24/08/822662408.db2.gz GKHMOBPJQWLIIJ-NRFANRHFSA-N 1 0 380.536 4.383 20 0 GIADRO 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 ZINC000455483342 822663183 /nfs/dbraw/zinc/66/31/83/822663183.db2.gz XLMRIRXNRRRLKO-LJFMXPCSSA-N 1 0 395.469 4.423 20 0 GIADRO CCSc1ccc([C@H](C)NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000180330570 822664628 /nfs/dbraw/zinc/66/46/28/822664628.db2.gz WIJFNJHRIVRMFU-KRWDZBQOSA-N 1 0 398.576 4.470 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)c2nc(C)oc2-c2ccccc2)[NH+]2CCCC2)o1 ZINC000184612907 822665704 /nfs/dbraw/zinc/66/57/04/822665704.db2.gz HSIVHEQXTYJONF-GOSISDBHSA-N 1 0 379.460 4.118 20 0 GIADRO C[C@H](NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1Cl ZINC000180345587 822667093 /nfs/dbraw/zinc/66/70/93/822667093.db2.gz MAYGNYOXMHATNN-AWEZNQCLSA-N 1 0 390.890 4.151 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Nc1cccc(OCC#N)c1 ZINC000048509302 822668848 /nfs/dbraw/zinc/66/88/48/822668848.db2.gz KZMMHTHOFGUULZ-SFHVURJKSA-N 1 0 392.503 4.285 20 0 GIADRO CCOc1cccc2cc([C@@H](C)[NH2+]CC(=O)Nc3cccc(C(C)=O)c3)oc21 ZINC000180354212 822669060 /nfs/dbraw/zinc/66/90/60/822669060.db2.gz VFTGKDWHKMKYJB-CQSZACIVSA-N 1 0 380.444 4.323 20 0 GIADRO CCC[C@@H]1CN(C(=O)Nc2ccc(-c3ccncc3)c(C)c2)CC[N@@H+]1CCOC ZINC000455518493 822669724 /nfs/dbraw/zinc/66/97/24/822669724.db2.gz WMOTZYOGGLFPNG-OAQYLSRUSA-N 1 0 396.535 4.022 20 0 GIADRO CCOc1cccc2cc([C@@H](C)[NH2+]CC(=O)N[C@H]3CCOc4ccccc43)oc21 ZINC000180360008 822670117 /nfs/dbraw/zinc/67/01/17/822670117.db2.gz MAWRZDTUAKEKQM-QAPCUYQASA-N 1 0 394.471 4.122 20 0 GIADRO CCc1ccccc1NC(=O)C[NH2+][C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000180377876 822672460 /nfs/dbraw/zinc/67/24/60/822672460.db2.gz BHUQFCIXVJZLBX-CQSZACIVSA-N 1 0 380.410 4.479 20 0 GIADRO COc1cccc([C@H]2[C@H]([NH2+]CC3=Cc4ccccc4OC3)CCN2C2CC2)c1 ZINC000180380174 822672934 /nfs/dbraw/zinc/67/29/34/822672934.db2.gz QQHOVRGRVHYXFI-VWNXMTODSA-N 1 0 376.500 4.039 20 0 GIADRO Cc1cc2ncc([C@H](C)[NH2+]Cc3cc4cc(Br)ccc4[nH]3)c(C)n2n1 ZINC000184677727 822674790 /nfs/dbraw/zinc/67/47/90/822674790.db2.gz OOSZHDUVRXYHIG-LBPRGKRZSA-N 1 0 398.308 4.441 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)N(CCC(F)(F)F)Cc1ccccc1 ZINC000455565628 822675338 /nfs/dbraw/zinc/67/53/38/822675338.db2.gz RCDOYRRTESXVIV-UHFFFAOYSA-N 1 0 383.458 4.168 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)N1CCC(c2cccc(Cl)c2)CC1 ZINC000455568251 822675913 /nfs/dbraw/zinc/67/59/13/822675913.db2.gz USPUVHZCVFGCQH-UHFFFAOYSA-N 1 0 375.944 4.246 20 0 GIADRO CC(C)c1cccc(-c2ccc(C(=O)N3CCC(C[NH+]4CCOCC4)CC3)o2)c1 ZINC000180406208 822676477 /nfs/dbraw/zinc/67/64/77/822676477.db2.gz SYFXDENQNBLMOZ-UHFFFAOYSA-N 1 0 396.531 4.254 20 0 GIADRO COCCOc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)cc1 ZINC000180408789 822676793 /nfs/dbraw/zinc/67/67/93/822676793.db2.gz SRHDEUYWIGZJMW-IBGZPJMESA-N 1 0 396.531 4.189 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)c1 ZINC000180408750 822676801 /nfs/dbraw/zinc/67/68/01/822676801.db2.gz OIHZXAITUDYZPW-QGZVFWFLSA-N 1 0 379.504 4.122 20 0 GIADRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C(=O)N3CCCCC3)cc1)CCCO2 ZINC000180410808 822677122 /nfs/dbraw/zinc/67/71/22/822677122.db2.gz RMYISPRUVBSTIH-QFIPXVFZSA-N 1 0 394.515 4.325 20 0 GIADRO O=C(c1ccc(C[NH2+][C@H]2CSCCc3ccccc32)cc1)N1CCCCC1 ZINC000180410833 822677292 /nfs/dbraw/zinc/67/72/92/822677292.db2.gz ATERZMLAIMLFNA-QFIPXVFZSA-N 1 0 380.557 4.433 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)N[C@H](c1ccccc1)C(F)F ZINC000455579081 822677843 /nfs/dbraw/zinc/67/78/43/822677843.db2.gz ANCJAZQGQOAPGY-GOSISDBHSA-N 1 0 397.416 4.044 20 0 GIADRO COc1ccc(CC[NH2+][C@H](c2ccccc2)c2ccccn2)c(OC)c1OC ZINC000180415751 822677827 /nfs/dbraw/zinc/67/78/27/822677827.db2.gz FRGVMLVQLQVLKM-OAQYLSRUSA-N 1 0 378.472 4.029 20 0 GIADRO CC(=O)Nc1ccc(C[NH2+]Cc2c(C)nn(-c3ccc(F)cc3F)c2C)cc1 ZINC000048686135 822678217 /nfs/dbraw/zinc/67/82/17/822678217.db2.gz BFEBVDDNGRUHQJ-UHFFFAOYSA-N 1 0 384.430 4.016 20 0 GIADRO C[C@@H]1CN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C[C@@H](c2ccccc2)O1 ZINC000184697486 822678295 /nfs/dbraw/zinc/67/82/95/822678295.db2.gz DVZSSSKUELQMGS-OFNKIYASSA-N 1 0 392.543 4.277 20 0 GIADRO CC[C@@H](C)C(=O)Nc1cccc(C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000180420302 822678572 /nfs/dbraw/zinc/67/85/72/822678572.db2.gz XYENAWAAVLEVBD-SJORKVTESA-N 1 0 377.492 4.103 20 0 GIADRO CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H](C)c2cnc3cc(C)nn3c2C)c1 ZINC000180423446 822679044 /nfs/dbraw/zinc/67/90/44/822679044.db2.gz BSWJFPWCRVVKJW-HOCLYGCPSA-N 1 0 379.508 4.182 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](c2ccccc2)C(F)F)[C@@H]1c1cccs1 ZINC000455587664 822679196 /nfs/dbraw/zinc/67/91/96/822679196.db2.gz GLNUETYSUDAYHL-BPQIPLTHSA-N 1 0 393.503 4.437 20 0 GIADRO Cc1cc(C[NH+]2CCC(C(=O)NCCc3cccs3)CC2)ccc1Cl ZINC000180425716 822679431 /nfs/dbraw/zinc/67/94/31/822679431.db2.gz RKHARGOMTOACAO-UHFFFAOYSA-N 1 0 376.953 4.281 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H]3SCCc4ccccc43)cc2)CC1 ZINC000180428938 822680042 /nfs/dbraw/zinc/68/00/42/822680042.db2.gz AZVGPNYXCJDTBB-QFIPXVFZSA-N 1 0 395.572 4.186 20 0 GIADRO COc1cc(Cl)cc(C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)c1O ZINC000184709562 822680343 /nfs/dbraw/zinc/68/03/43/822680343.db2.gz DMEZCXWFLBTKKL-UHFFFAOYSA-N 1 0 377.868 4.299 20 0 GIADRO Fc1ccc(-c2ccc(C[NH2+]Cc3cccc(CN4CCOCC4)c3)o2)cc1 ZINC000048745595 822680756 /nfs/dbraw/zinc/68/07/56/822680756.db2.gz BTOXAVHOBKJFDI-UHFFFAOYSA-N 1 0 380.463 4.208 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(C(F)(F)F)c1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000048744700 822680800 /nfs/dbraw/zinc/68/08/00/822680800.db2.gz OEBQHMXDEKKQHB-CQSZACIVSA-N 1 0 392.421 4.214 20 0 GIADRO C[C@H](CNCc1cccc(NC(=O)c2ccccc2Cl)c1)C[NH+]1CCCC1 ZINC000048749226 822681210 /nfs/dbraw/zinc/68/12/10/822681210.db2.gz QKHSPIKNIIGOSV-QGZVFWFLSA-N 1 0 385.939 4.414 20 0 GIADRO CCOc1cc(C[NH2+][C@@H](C)c2ccc(C)cc2)ccc1O[C@H](C)C(=O)N(C)C ZINC000048751818 822681348 /nfs/dbraw/zinc/68/13/48/822681348.db2.gz LSZQKNLFYJTMIS-ZWKOTPCHSA-N 1 0 384.520 4.100 20 0 GIADRO CC[C@@H]([NH2+]Cc1cc(C)ccc1OC)c1ccccc1OCC(=O)N1CCCC1 ZINC000048750501 822681392 /nfs/dbraw/zinc/68/13/92/822681392.db2.gz VUCYCRNKDKCQCV-OAQYLSRUSA-N 1 0 396.531 4.246 20 0 GIADRO C[N@H+](CCCCNC(=O)N1CCC(F)(c2cccc(Cl)c2)CC1)C1CC1 ZINC000455600498 822681882 /nfs/dbraw/zinc/68/18/82/822681882.db2.gz BPWJMDRTJUJASD-UHFFFAOYSA-N 1 0 381.923 4.185 20 0 GIADRO Cc1nc(-c2ccc(NC(=O)C3(C)CC[NH+](Cc4ccccc4)CC3)cc2)n[nH]1 ZINC000184721777 822682040 /nfs/dbraw/zinc/68/20/40/822682040.db2.gz YLDDYACRPXLNLP-UHFFFAOYSA-N 1 0 389.503 4.021 20 0 GIADRO C[N@H+](CCCCNC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)C1CC1 ZINC000455604449 822682937 /nfs/dbraw/zinc/68/29/37/822682937.db2.gz GDFPQOVMBZFVNL-GOSISDBHSA-N 1 0 383.458 4.330 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)N[C@H](c2ccccc2)C(F)F)[NH+]2CCCC2)o1 ZINC000455604240 822683017 /nfs/dbraw/zinc/68/30/17/822683017.db2.gz TZZLTAPZBVFIEI-SJLPKXTDSA-N 1 0 377.435 4.031 20 0 GIADRO C[N@H+](CCCCNC(=O)N1CCC[C@H]1c1ccc(Br)cc1)C1CC1 ZINC000455606198 822683135 /nfs/dbraw/zinc/68/31/35/822683135.db2.gz HNDRGFKQGDIRFV-SFHVURJKSA-N 1 0 394.357 4.170 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)N[C@H](c2ccccc2)C(F)F)C1 ZINC000455607949 822683600 /nfs/dbraw/zinc/68/36/00/822683600.db2.gz XIGJLGRPHYEITI-ZIFCJYIRSA-N 1 0 379.495 4.289 20 0 GIADRO CC(=O)Nc1cccc(OCC[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)c1 ZINC000180448304 822684134 /nfs/dbraw/zinc/68/41/34/822684134.db2.gz DPSJRVUTWUHXGK-HNNXBMFYSA-N 1 0 396.466 4.008 20 0 GIADRO Cc1cccc2[nH]cc(CC(=O)N(C)CCC3CCN(c4cc[nH+]cc4)CC3)c21 ZINC000180451363 822684662 /nfs/dbraw/zinc/68/46/62/822684662.db2.gz MWKSNUFZBWVPAU-UHFFFAOYSA-N 1 0 390.531 4.179 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)CCc1ccc(Cl)cc1 ZINC000180453605 822685243 /nfs/dbraw/zinc/68/52/43/822685243.db2.gz JQMOKWJVNBOKJU-UHFFFAOYSA-N 1 0 385.939 4.433 20 0 GIADRO CC[C@@H]1C[C@H](C(=O)N(c2cccc(SC)c2)C2CC[NH+](C)CC2)CCO1 ZINC000180454038 822685335 /nfs/dbraw/zinc/68/53/35/822685335.db2.gz RHOVHPKVFUNBHG-VQIMIIECSA-N 1 0 376.566 4.041 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)Nc2cccc(C3CC3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000455621182 822685469 /nfs/dbraw/zinc/68/54/69/822685469.db2.gz QJUNFDMYNUXGNW-YLJYHZDGSA-N 1 0 378.520 4.476 20 0 GIADRO CCS[C@H](C)c1noc(CNC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000184754403 822686250 /nfs/dbraw/zinc/68/62/50/822686250.db2.gz PZZHILSQJYATPT-YESZJQIVSA-N 1 0 388.581 4.130 20 0 GIADRO C[C@@H](c1ccc(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)cc1)C(F)(F)F ZINC000455640333 822689081 /nfs/dbraw/zinc/68/90/81/822689081.db2.gz WYSRJOOBENZOSM-INIZCTEOSA-N 1 0 398.469 4.117 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H](c1ccccc1)C(F)F ZINC000455645113 822690112 /nfs/dbraw/zinc/69/01/12/822690112.db2.gz IXCJLAMVKSSZNT-AZUAARDMSA-N 1 0 387.474 4.156 20 0 GIADRO CC1(C(=O)N2CCC[C@H](c3nccs3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000184784489 822690446 /nfs/dbraw/zinc/69/04/46/822690446.db2.gz XACIWEUASKCDLG-IBGZPJMESA-N 1 0 383.561 4.151 20 0 GIADRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CC(=O)N3CCC(C)CC3)s2)cc1 ZINC000184785196 822690736 /nfs/dbraw/zinc/69/07/36/822690736.db2.gz LYZYPMVXIQTOGF-HNNXBMFYSA-N 1 0 387.549 4.036 20 0 GIADRO OC[C@H](C1CC1)[N@H+](Cc1ccccc1)Cc1ccc(Oc2cnccn2)cc1 ZINC000184789636 822691363 /nfs/dbraw/zinc/69/13/63/822691363.db2.gz YMTTYAAUAVSGRG-JOCHJYFZSA-N 1 0 375.472 4.042 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(OC(F)F)c1)c1ccc(OCc2nccn2C)cc1 ZINC000180505449 822692775 /nfs/dbraw/zinc/69/27/75/822692775.db2.gz VEYBJOZTERANNO-OAHLLOKOSA-N 1 0 387.430 4.451 20 0 GIADRO Cn1cc([C@@H]([NH2+]C[C@H](O)c2ccc3ccccc3c2)c2cccc(F)c2)cn1 ZINC000180508957 822693536 /nfs/dbraw/zinc/69/35/36/822693536.db2.gz NEJDIAMSPMXVIF-GOTSBHOMSA-N 1 0 375.447 4.125 20 0 GIADRO Cc1nc(CN2CCC(C[NH2+][C@@H](c3ccccc3)c3ccccn3)CC2)oc1C ZINC000180524085 822695791 /nfs/dbraw/zinc/69/57/91/822695791.db2.gz UDUXUJIIWSTVPX-DEOSSOPVSA-N 1 0 390.531 4.278 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(F)c(Br)cc2C)C1 ZINC000184824974 822696009 /nfs/dbraw/zinc/69/60/09/822696009.db2.gz CTFSWPTZOTUXSH-ZDUSSCGKSA-N 1 0 386.309 4.092 20 0 GIADRO CC(=O)N(c1nc(CNc2cccc(N(C)C)[nH+]2)cs1)c1ccc(F)cc1 ZINC000180527937 822696532 /nfs/dbraw/zinc/69/65/32/822696532.db2.gz HFFOOIZQXDXMMA-UHFFFAOYSA-N 1 0 385.468 4.040 20 0 GIADRO COc1ccc([C@H](C)[NH2+]Cc2cccc(OCC(F)F)c2)cc1NC(C)=O ZINC000180528081 822696648 /nfs/dbraw/zinc/69/66/48/822696648.db2.gz CGDVLBYWXFGPKA-ZDUSSCGKSA-N 1 0 378.419 4.148 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CC(=O)N1CCc2sccc2C1 ZINC000180529526 822696932 /nfs/dbraw/zinc/69/69/32/822696932.db2.gz GNSPTMZGNHWQHY-AWEZNQCLSA-N 1 0 397.569 4.416 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)/C=C/c1ccc(Cl)nc1)c1cccc(C(F)(F)F)c1 ZINC000184832488 822697150 /nfs/dbraw/zinc/69/71/50/822697150.db2.gz QMWWBPLHKXDTDO-DYLHUKMJSA-N 1 0 397.828 4.186 20 0 GIADRO C[NH+](C)CCn1nccc1NC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000455673544 822697243 /nfs/dbraw/zinc/69/72/43/822697243.db2.gz XTJORXCWSROBNN-IBGZPJMESA-N 1 0 383.540 4.111 20 0 GIADRO C[C@@H]([NH2+]CCc1cccc(C(N)=O)c1)c1ccc(SCC(F)(F)F)cc1 ZINC000180532334 822697393 /nfs/dbraw/zinc/69/73/93/822697393.db2.gz DZGDVZIFQITULF-CYBMUJFWSA-N 1 0 382.451 4.333 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)Nc1ccc([C@H]2CCOC2)cc1 ZINC000455677430 822698330 /nfs/dbraw/zinc/69/83/30/822698330.db2.gz VHAFPEKQNSQENA-AZUAARDMSA-N 1 0 383.492 4.132 20 0 GIADRO C[C@H]([NH2+]C(C)(C)CN[C@@H](c1cnn(C)c1)c1cccc(F)c1)c1ccccc1 ZINC000180540607 822698892 /nfs/dbraw/zinc/69/88/92/822698892.db2.gz HIMJEJGNEJYFSN-HTAPYJJXSA-N 1 0 380.511 4.368 20 0 GIADRO COc1ccc([C@H](NCC2([NH+](C)C)CCOCC2)c2ccccc2Cl)cc1 ZINC000180543148 822699304 /nfs/dbraw/zinc/69/93/04/822699304.db2.gz GXIBBZXGLDRYPA-NRFANRHFSA-N 1 0 388.939 4.138 20 0 GIADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1ccc(C2CCC2)cn1 ZINC000455683650 822700172 /nfs/dbraw/zinc/70/01/72/822700172.db2.gz XXMNQYJDKKYPTB-NRFANRHFSA-N 1 0 393.535 4.263 20 0 GIADRO COCC[C@@](C)(O)C[NH2+][C@@H](c1ccc(Br)cc1)c1ccccc1F ZINC000180555790 822701663 /nfs/dbraw/zinc/70/16/63/822701663.db2.gz XEWLGVJKSYWKEU-RBUKOAKNSA-N 1 0 396.300 4.055 20 0 GIADRO CC1CC[NH+](C2CCC(NC(=O)N(C)Cc3cc(F)c(F)c(F)c3)CC2)CC1 ZINC000180555556 822701681 /nfs/dbraw/zinc/70/16/81/822701681.db2.gz FXUZHLZQFNKPKS-UHFFFAOYSA-N 1 0 397.485 4.288 20 0 GIADRO Cn1cc([C@@H]([NH2+][C@@H]2CCCN(c3cccc(F)c3)C2)c2cccc(F)c2)cn1 ZINC000180560059 822702488 /nfs/dbraw/zinc/70/24/88/822702488.db2.gz UZWTXZULJKANKQ-IRLDBZIGSA-N 1 0 382.458 4.046 20 0 GIADRO Cn1cc([C@@H]([NH2+]C[C@H](O)c2ccc(C(C)(C)C)cc2)c2cccc(F)c2)cn1 ZINC000180559692 822702497 /nfs/dbraw/zinc/70/24/97/822702497.db2.gz SZSPOLALBNDBJV-VXKWHMMOSA-N 1 0 381.495 4.269 20 0 GIADRO Cn1cc([C@H]([NH2+]C[C@@H](O)c2ccc(C(C)(C)C)cc2)c2cccc(F)c2)cn1 ZINC000180559706 822702555 /nfs/dbraw/zinc/70/25/55/822702555.db2.gz SZSPOLALBNDBJV-FGZHOGPDSA-N 1 0 381.495 4.269 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1sccc1Br ZINC000049635381 822703246 /nfs/dbraw/zinc/70/32/46/822703246.db2.gz HBASTESGJCADDT-UHFFFAOYSA-N 1 0 397.338 4.484 20 0 GIADRO Cc1nc(C(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)c(-c2ccccc2)o1 ZINC000184870238 822704434 /nfs/dbraw/zinc/70/44/34/822704434.db2.gz NZUMQXIQRAHIRU-UHFFFAOYSA-N 1 0 389.499 4.387 20 0 GIADRO Cc1ccc(F)c(Br)c1NC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000455700180 822706101 /nfs/dbraw/zinc/70/61/01/822706101.db2.gz UXFVXEPPUBPGEL-UHFFFAOYSA-N 1 0 384.293 4.035 20 0 GIADRO O[C@@H](C[N@H+](Cc1ccccc1)Cc1ccc(N2CCCC2)nc1)c1ccsc1 ZINC000180583148 822706200 /nfs/dbraw/zinc/70/62/00/822706200.db2.gz FYJFKJOUEZTEDK-QFIPXVFZSA-N 1 0 393.556 4.479 20 0 GIADRO CC1(C(=O)N2CCC[C@@H](Nc3ccccc3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000184882767 822706641 /nfs/dbraw/zinc/70/66/41/822706641.db2.gz LXLRFIMSYVMSFC-HSZRJFAPSA-N 1 0 391.559 4.392 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N1CCCCCC1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000180600781 822709072 /nfs/dbraw/zinc/70/90/72/822709072.db2.gz TWAPSQJVQSVQAG-QGZVFWFLSA-N 1 0 397.494 4.131 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)N(Cc3ccc(F)cc3)C3CC3)c2)CC1 ZINC000184897855 822709621 /nfs/dbraw/zinc/70/96/21/822709621.db2.gz QGZPSCHQMFTOHU-UHFFFAOYSA-N 1 0 396.510 4.164 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)N1CCC[C@H]1c1cccs1)[NH+]1CCCC1 ZINC000049790298 822709749 /nfs/dbraw/zinc/70/97/49/822709749.db2.gz QQWIMDVGLKLGBV-RBUKOAKNSA-N 1 0 399.560 4.440 20 0 GIADRO Cc1nn(C)c(C)c1CCC[NH2+][C@@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000180604408 822710126 /nfs/dbraw/zinc/71/01/26/822710126.db2.gz CTOCDLSFLHXOMW-HSZRJFAPSA-N 1 0 390.531 4.248 20 0 GIADRO COc1cccc([C@@H](CNC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)[NH+](C)C)c1 ZINC000049798624 822710129 /nfs/dbraw/zinc/71/01/29/822710129.db2.gz UYBBVHAIRNVXBZ-OXJNMPFZSA-N 1 0 395.503 4.447 20 0 GIADRO Cc1nn(C)c(C)c1CCC[NH2+][C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000180604472 822710233 /nfs/dbraw/zinc/71/02/33/822710233.db2.gz WHBRSMSSCWUMJH-JOCHJYFZSA-N 1 0 394.494 4.078 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)N(C)Cc3ccc(Cl)cc3)c2)CC1 ZINC000184911527 822712015 /nfs/dbraw/zinc/71/20/15/822712015.db2.gz OHCYZQDISUWBTR-UHFFFAOYSA-N 1 0 386.927 4.146 20 0 GIADRO Cc1c(Cl)cncc1NC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000455718514 822712430 /nfs/dbraw/zinc/71/24/30/822712430.db2.gz SPZJBQPVWMCEOX-UHFFFAOYSA-N 1 0 381.307 4.293 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(Cn2cccn2)cc1)c1cc(Br)ccc1O ZINC000184919967 822713021 /nfs/dbraw/zinc/71/30/21/822713021.db2.gz GTJGDNKVOLYBGY-CQSZACIVSA-N 1 0 386.293 4.250 20 0 GIADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)CCc1ccc2[nH]ccc2c1 ZINC000180616602 822713270 /nfs/dbraw/zinc/71/32/70/822713270.db2.gz SQJDYLZHMFQWNI-QFIPXVFZSA-N 1 0 390.531 4.009 20 0 GIADRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)Nc1ccccc1OCCF ZINC000455721314 822713458 /nfs/dbraw/zinc/71/34/58/822713458.db2.gz YLGGSASKDXIPOE-UHFFFAOYSA-N 1 0 385.483 4.069 20 0 GIADRO Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c(C2CC2)n1 ZINC000455722116 822713626 /nfs/dbraw/zinc/71/36/26/822713626.db2.gz XKLSAXRPCFJQMQ-NQIIRXRSSA-N 1 0 377.532 4.393 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)N(Cc3cccs3)C3CC3)c2)CC1 ZINC000184923385 822713732 /nfs/dbraw/zinc/71/37/32/822713732.db2.gz GBGGCPKWPZLEFQ-UHFFFAOYSA-N 1 0 384.549 4.087 20 0 GIADRO O=C(Nc1cccc(C(=O)N2CCC([NH+]3CCCCC3)CC2)c1)c1cccs1 ZINC000050009365 822713911 /nfs/dbraw/zinc/71/39/11/822713911.db2.gz RAZMVLBURGXREQ-UHFFFAOYSA-N 1 0 397.544 4.091 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc3cc(C(=O)OC)sc32)C[C@H]1C ZINC000455724080 822713945 /nfs/dbraw/zinc/71/39/45/822713945.db2.gz ZSNFQNBFBKZRGF-HIFRSBDPSA-N 1 0 389.521 4.024 20 0 GIADRO CC[N@H+](CCC1CCN(C(=O)Nc2ccc3c(c2)CCC3=O)CC1)CC(C)C ZINC000455723885 822714039 /nfs/dbraw/zinc/71/40/39/822714039.db2.gz ARKSXSSFCMKODU-UHFFFAOYSA-N 1 0 385.552 4.427 20 0 GIADRO COc1cc(C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)cc(OC)c1OC ZINC000180620968 822714354 /nfs/dbraw/zinc/71/43/54/822714354.db2.gz SBHLCSNGRHTVHY-ROUUACIJSA-N 1 0 389.492 4.174 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)Nc1ccc2c(c1)CCCC2=O ZINC000455725466 822714614 /nfs/dbraw/zinc/71/46/14/822714614.db2.gz BYNXYWIWFQRYOW-IBGZPJMESA-N 1 0 381.476 4.147 20 0 GIADRO COc1c(F)cc(NC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1F ZINC000050058208 822716447 /nfs/dbraw/zinc/71/64/47/822716447.db2.gz AKHMCKKSSGGVCU-CYBMUJFWSA-N 1 0 395.475 4.069 20 0 GIADRO O=C(Nc1ccccc1OCCF)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000455740876 822717906 /nfs/dbraw/zinc/71/79/06/822717906.db2.gz XDEUCFZKXSKOFE-WOJBJXKFSA-N 1 0 397.494 4.021 20 0 GIADRO CCN(C)C(=O)CC[NH2+][C@H](C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000184960141 822718759 /nfs/dbraw/zinc/71/87/59/822718759.db2.gz WSECXZXYEUZLCI-GFCCVEGCSA-N 1 0 396.354 4.092 20 0 GIADRO Cc1ccsc1[C@H](Cc1ccccc1)[NH2+][C@H]1CCN(CC(F)(F)F)C1=O ZINC000184965202 822719324 /nfs/dbraw/zinc/71/93/24/822719324.db2.gz RBPHUJFXHIUBOP-HOTGVXAUSA-N 1 0 382.451 4.093 20 0 GIADRO Cc1ccc(C(=O)NCc2ccccc2CN(C)Cc2ccco2)c(C2CC2)n1 ZINC000455749640 822719380 /nfs/dbraw/zinc/71/93/80/822719380.db2.gz KIKAAFWEBMDANG-UHFFFAOYSA-N 1 0 389.499 4.422 20 0 GIADRO Cc1ccc(F)c(Br)c1NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000455750747 822719595 /nfs/dbraw/zinc/71/95/95/822719595.db2.gz MADDDOSQONPSGR-AWEZNQCLSA-N 1 0 398.320 4.092 20 0 GIADRO CCCn1ncc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1C1CC1 ZINC000455750914 822719609 /nfs/dbraw/zinc/71/96/09/822719609.db2.gz JXUFYHYWSPJHQO-FXAWDEMLSA-N 1 0 395.551 4.345 20 0 GIADRO CC(=O)c1cccc(OC[C@@H](O)C[NH2+][C@@H](Cc2ccccc2)c2cccs2)c1 ZINC000184967402 822719646 /nfs/dbraw/zinc/71/96/46/822719646.db2.gz YGQZJRWCHDKZJT-UNMCSNQZSA-N 1 0 395.524 4.264 20 0 GIADRO CCC[NH+]1CCC(CNC(=O)Nc2c(C)ccc(F)c2Br)CC1 ZINC000455751759 822719762 /nfs/dbraw/zinc/71/97/62/822719762.db2.gz NLJMBBUKWUFCPK-UHFFFAOYSA-N 1 0 386.309 4.140 20 0 GIADRO C[C@H](NC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(F)cc1F ZINC000050137264 822719998 /nfs/dbraw/zinc/71/99/98/822719998.db2.gz GQXAIDHNTRBCOR-LSDHHAIUSA-N 1 0 393.503 4.299 20 0 GIADRO CCOc1ccc(Cl)c(NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000455757692 822720828 /nfs/dbraw/zinc/72/08/28/822720828.db2.gz OWCWAWKDFQJIFW-HDICACEKSA-N 1 0 399.922 4.334 20 0 GIADRO Cc1ccc(F)c(Br)c1NC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000455758707 822720989 /nfs/dbraw/zinc/72/09/89/822720989.db2.gz VROJKYCADKTZCF-UHFFFAOYSA-N 1 0 398.320 4.379 20 0 GIADRO CCCn1ncc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1C1CC1 ZINC000455761784 822721654 /nfs/dbraw/zinc/72/16/54/822721654.db2.gz ZCEWTDFAOZGDJV-FXAWDEMLSA-N 1 0 395.551 4.203 20 0 GIADRO O=C(Nc1ccc(F)cc1)C1CC[NH+](C[C@H](O)c2ccc(F)cc2Cl)CC1 ZINC000184995578 822722983 /nfs/dbraw/zinc/72/29/83/822722983.db2.gz NUEMJNFUZFOBLF-IBGZPJMESA-N 1 0 394.849 4.002 20 0 GIADRO Cn1cc(-c2cc(C[NH+]3CCC(c4c[nH]c5cc(F)ccc54)CC3)on2)cn1 ZINC000185002297 822723974 /nfs/dbraw/zinc/72/39/74/822723974.db2.gz HCJDGCHNCJBEGQ-UHFFFAOYSA-N 1 0 379.439 4.075 20 0 GIADRO COCC[N@H+](C)CCCC1CCN(C(=O)Nc2c(C)cccc2SC)CC1 ZINC000185032740 822727447 /nfs/dbraw/zinc/72/74/47/822727447.db2.gz IDBQIORATANTHR-UHFFFAOYSA-N 1 0 393.597 4.319 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(C)nc1C1CC1 ZINC000455792993 822727559 /nfs/dbraw/zinc/72/75/59/822727559.db2.gz DJSGXADFABLFLG-HXUWFJFHSA-N 1 0 377.532 4.252 20 0 GIADRO C[C@H]([NH2+]Cc1ccnc(N2CCCCC2)c1)c1cc(Br)ccc1O ZINC000185054173 822729770 /nfs/dbraw/zinc/72/97/70/822729770.db2.gz UOJOIZNIKYUCJX-AWEZNQCLSA-N 1 0 390.325 4.391 20 0 GIADRO Cn1cc(-c2cc(C[NH2+][C@@H](Cc3cccc(F)c3)c3cccc(F)c3)on2)cn1 ZINC000185052445 822729827 /nfs/dbraw/zinc/72/98/27/822729827.db2.gz BYCKAFPPLHQMRA-NRFANRHFSA-N 1 0 394.425 4.427 20 0 GIADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2ccccc2C(C)(F)F)[C@@H](C)C1 ZINC000455809440 822730384 /nfs/dbraw/zinc/73/03/84/822730384.db2.gz OHAQVDJKAGFNRQ-RDJZCZTQSA-N 1 0 383.483 4.057 20 0 GIADRO CCCn1ncc(NC(=O)NC[C@@H](c2ccccc2)[NH+](CC)CC)c1C1CC1 ZINC000455824255 822732594 /nfs/dbraw/zinc/73/25/94/822732594.db2.gz HAVNYMYEBIAEQM-FQEVSTJZSA-N 1 0 383.540 4.375 20 0 GIADRO CC[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)c1ccccc1OCC(=O)N(C)C ZINC000185075367 822733567 /nfs/dbraw/zinc/73/35/67/822733567.db2.gz TWOIRPOQBVOJLM-KBXCAEBGSA-N 1 0 390.911 4.315 20 0 GIADRO CCCn1ncc(NC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)c1C1CC1 ZINC000455833659 822733768 /nfs/dbraw/zinc/73/37/68/822733768.db2.gz QBUYSRKEIZIHGB-HXUWFJFHSA-N 1 0 381.524 4.129 20 0 GIADRO COc1cc2c(cc1Cl)CN(C(=O)Nc1ccc3c(c1)CC[C@H]3[NH+](C)C)CC2 ZINC000455842633 822735520 /nfs/dbraw/zinc/73/55/20/822735520.db2.gz FSHIOHBUVPSOLL-HXUWFJFHSA-N 1 0 399.922 4.488 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCCc3cccc(C(F)(F)F)n3)ccc21 ZINC000455847852 822736347 /nfs/dbraw/zinc/73/63/47/822736347.db2.gz JGGSLXOVSOENJB-QGZVFWFLSA-N 1 0 392.425 4.014 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCO[C@@H](CCc4ccccc4)C3)ccc21 ZINC000455849423 822736589 /nfs/dbraw/zinc/73/65/89/822736589.db2.gz KBFUGOJRCVHNBP-JTHBVZDNSA-N 1 0 393.531 4.101 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCc3c(F)cccc3OC(F)F)ccc21 ZINC000455865167 822739213 /nfs/dbraw/zinc/73/92/13/822739213.db2.gz UCFCGOHSFWQORI-QGZVFWFLSA-N 1 0 393.409 4.298 20 0 GIADRO COCc1ccc([C@@H]2CCCN2C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)o1 ZINC000455865895 822739429 /nfs/dbraw/zinc/73/94/29/822739429.db2.gz UOBJZBPFFGXCTG-PMACEKPBSA-N 1 0 383.492 4.344 20 0 GIADRO COc1ccc([C@@H](C)NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)c(C)c1OC ZINC000455867940 822739746 /nfs/dbraw/zinc/73/97/46/822739746.db2.gz VRBXRUXEDXUTRC-FOIQADDNSA-N 1 0 397.519 4.444 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3C[C@]4(C[C@@H]5CC[C@H]4C5)OC(C)(C)C3)ccc21 ZINC000455870806 822740382 /nfs/dbraw/zinc/74/03/82/822740382.db2.gz XRLNPYPAXWMUQK-QUUWMOETSA-N 1 0 397.563 4.437 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC[C@@H]3CCN(c4ccccc4F)C3)ccc21 ZINC000455872773 822740579 /nfs/dbraw/zinc/74/05/79/822740579.db2.gz ZCYWIIKFANYDTK-HRAATJIYSA-N 1 0 396.510 4.023 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N(Cc3ccccc3)[C@@H](CO)C3CC3)ccc21 ZINC000455872724 822740584 /nfs/dbraw/zinc/74/05/84/822740584.db2.gz YXEILZPVLIKYRE-PKTZIBPZSA-N 1 0 393.531 4.041 20 0 GIADRO C[C@H](NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)c1ccc2c(c1)CCC(=O)N2 ZINC000455873752 822740745 /nfs/dbraw/zinc/74/07/45/822740745.db2.gz ABPCVYSDDKXDNT-QKKBWIMNSA-N 1 0 392.503 4.003 20 0 GIADRO C[N@H+](C[C@@H]1CCCO[C@@H]1c1ccccc1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000050928077 822742623 /nfs/dbraw/zinc/74/26/23/822742623.db2.gz WFLMOJJPCIMLFT-GHTZIAJQSA-N 1 0 380.448 4.002 20 0 GIADRO COc1ccc([C@@H]2CCC[N@@H+]2CC2CCN(C(=O)C(C)(C)C)CC2)c(OC)c1 ZINC000185150588 822743140 /nfs/dbraw/zinc/74/31/40/822743140.db2.gz FPCGPZCGXDGWBA-FQEVSTJZSA-N 1 0 388.552 4.125 20 0 GIADRO CC(=O)Nc1cccc2c1CC[N@H+](Cc1ccc(OCc3cccnc3)cc1)C2 ZINC000050960951 822743398 /nfs/dbraw/zinc/74/33/98/822743398.db2.gz CPYCUMILQYBXNO-UHFFFAOYSA-N 1 0 387.483 4.177 20 0 GIADRO C[N@H+](CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1)C(C1CC1)C1CC1 ZINC000050989605 822743790 /nfs/dbraw/zinc/74/37/90/822743790.db2.gz XRXQGXJDFDRVNO-QGZVFWFLSA-N 1 0 383.517 4.139 20 0 GIADRO CCCNC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)C1 ZINC000050995103 822743996 /nfs/dbraw/zinc/74/39/96/822743996.db2.gz MJKMBXCIQRSMAV-GHTZIAJQSA-N 1 0 393.531 4.238 20 0 GIADRO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000051049329 822744860 /nfs/dbraw/zinc/74/48/60/822744860.db2.gz WDPLAAMNQDUUII-FPOVZHCZSA-N 1 0 395.547 4.177 20 0 GIADRO CC(C)[C@H](CO)N(Cc1ccccc1)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455902881 822745448 /nfs/dbraw/zinc/74/54/48/822745448.db2.gz GLVNQNBROOMBGZ-GOTSBHOMSA-N 1 0 395.547 4.287 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N(CCO)[C@H]3CCCc4ccccc43)ccc21 ZINC000455905439 822746046 /nfs/dbraw/zinc/74/60/46/822746046.db2.gz HNLGIFKWGAWQIN-GOTSBHOMSA-N 1 0 393.531 4.139 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(C(F)(F)F)nc1Cl ZINC000185179854 822746176 /nfs/dbraw/zinc/74/61/76/822746176.db2.gz YQRWFDLMVCTTJC-DOMZBBRYSA-N 1 0 397.828 4.004 20 0 GIADRO C[C@H](NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)c1cccc(-n2cccn2)c1 ZINC000455905471 822746244 /nfs/dbraw/zinc/74/62/44/822746244.db2.gz HNPQDHXVQKYMNY-KSFYIVLOSA-N 1 0 389.503 4.304 20 0 GIADRO CN(C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000455907122 822746572 /nfs/dbraw/zinc/74/65/72/822746572.db2.gz IBRYRLOSXQHFFJ-GGAORHGYSA-N 1 0 392.547 4.368 20 0 GIADRO C[N@H+](CCC(=O)N1CCc2ccccc21)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132598 822747234 /nfs/dbraw/zinc/74/72/34/822747234.db2.gz SZMFHYUTGMRYCI-ZJSXRUAMSA-N 1 0 378.516 4.066 20 0 GIADRO C[N@H+](C[C@@H]1CCCO[C@@H]1c1ccccc1)[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000051133134 822747431 /nfs/dbraw/zinc/74/74/31/822747431.db2.gz NBYBLHDJDIZQGM-ACIOBRDBSA-N 1 0 378.516 4.106 20 0 GIADRO CSc1cccc(NC(=O)C[N@H+](C)C[C@H]2CCCO[C@@H]2c2ccccc2)c1 ZINC000051133758 822747796 /nfs/dbraw/zinc/74/77/96/822747796.db2.gz QXYIBMBQCWONJA-XMSQKQJNSA-N 1 0 384.545 4.447 20 0 GIADRO CC(=O)Nc1ccccc1C[NH2+][C@@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000185201947 822748878 /nfs/dbraw/zinc/74/88/78/822748878.db2.gz IZBDWDOFIXPQQM-MRXNPFEDSA-N 1 0 377.410 4.032 20 0 GIADRO C[C@@H]1CN(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C[C@@H](c2ccccc2)O1 ZINC000455918311 822749211 /nfs/dbraw/zinc/74/92/11/822749211.db2.gz LAYYKPBAMPYIFX-XGRCMKMKSA-N 1 0 379.504 4.229 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CCC(Cc4cccnc4)CC3)ccc21 ZINC000455920827 822749721 /nfs/dbraw/zinc/74/97/21/822749721.db2.gz LTTIFCWRDLIQPJ-QFIPXVFZSA-N 1 0 378.520 4.117 20 0 GIADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]CCc1nccs1 ZINC000051189580 822749881 /nfs/dbraw/zinc/74/98/81/822749881.db2.gz OUENGGSSFXJWPE-UHFFFAOYSA-N 1 0 391.338 4.040 20 0 GIADRO O=C(C[NH2+]C(c1ccccc1)c1ccccc1)NC[C@H]1CCN(c2ccccc2)C1 ZINC000051213854 822750728 /nfs/dbraw/zinc/75/07/28/822750728.db2.gz BRLWGVQRIRZIBA-OAQYLSRUSA-N 1 0 399.538 4.008 20 0 GIADRO Cc1ccccc1OCCCN(C)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455936430 822752919 /nfs/dbraw/zinc/75/29/19/822752919.db2.gz RWNDHOZRPYNWLS-NRFANRHFSA-N 1 0 381.520 4.477 20 0 GIADRO CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000051270779 822753270 /nfs/dbraw/zinc/75/32/70/822753270.db2.gz FRAMTYGBODDISG-DHIUTWEWSA-N 1 0 395.547 4.058 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@]1(Cc2cccc(Cl)c2)CCOC1 ZINC000455939140 822753445 /nfs/dbraw/zinc/75/34/45/822753445.db2.gz ZLWXKHMHAFNICX-QFIPXVFZSA-N 1 0 386.923 4.298 20 0 GIADRO C[C@@H]1CC[C@@H](C)N(C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)C1 ZINC000455940441 822753954 /nfs/dbraw/zinc/75/39/54/822753954.db2.gz HVQVNQVSTJICOT-HUUCEWRRSA-N 1 0 379.932 4.465 20 0 GIADRO C[C@@H](N(C)C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1)C1(C)CC1 ZINC000455941198 822754019 /nfs/dbraw/zinc/75/40/19/822754019.db2.gz JFFHHZULTZYDFN-CQSZACIVSA-N 1 0 379.932 4.465 20 0 GIADRO CC(C)[C@H]1CCN(C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)C1 ZINC000455941714 822754213 /nfs/dbraw/zinc/75/42/13/822754213.db2.gz JRVMTLJSBGPYIL-HNNXBMFYSA-N 1 0 379.932 4.323 20 0 GIADRO CC[N@@H+](Cc1ccc(OC)c(OC)c1)C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000051286403 822754503 /nfs/dbraw/zinc/75/45/03/822754503.db2.gz PYDWWUKDLXEXEG-KRWDZBQOSA-N 1 0 383.410 4.278 20 0 GIADRO CC(C)OCCCN(C)C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000455944917 822755190 /nfs/dbraw/zinc/75/51/90/822755190.db2.gz NMSLUIPQECQGLZ-UHFFFAOYSA-N 1 0 397.947 4.092 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)N2CC[C@H]3CCC[C@@H]32)CC1 ZINC000455945447 822755429 /nfs/dbraw/zinc/75/54/29/822755429.db2.gz OIHQGVCOTFDWPG-KDOFPFPSSA-N 1 0 377.916 4.219 20 0 GIADRO Cc1ccoc1CNC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000455949328 822756395 /nfs/dbraw/zinc/75/63/95/822756395.db2.gz WBPZCEBRNRIQJJ-UHFFFAOYSA-N 1 0 377.872 4.036 20 0 GIADRO CCOc1cccc2cc([C@@H](C)[NH2+]Cc3cnc(N4CCOCC4)c(F)c3)oc21 ZINC000185269101 822757244 /nfs/dbraw/zinc/75/72/44/822757244.db2.gz MPUAIOYMHKQDJC-OAHLLOKOSA-N 1 0 399.466 4.053 20 0 GIADRO CC(C)(C)C[C@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)c1ccc(F)cc1 ZINC000185272235 822757739 /nfs/dbraw/zinc/75/77/39/822757739.db2.gz AEXROZUSONLPRA-FQEVSTJZSA-N 1 0 389.490 4.464 20 0 GIADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000455963625 822757925 /nfs/dbraw/zinc/75/79/25/822757925.db2.gz BFFGLFOASDKSMG-ABAIWWIYSA-N 1 0 386.721 4.193 20 0 GIADRO O=C(Nc1cc(Cl)cc(Br)c1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000455966204 822758454 /nfs/dbraw/zinc/75/84/54/822758454.db2.gz GGPUAMXNGBXGLT-HNNXBMFYSA-N 1 0 386.721 4.195 20 0 GIADRO CN(C(=O)Nc1ccc2cnccc2c1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000455966744 822758580 /nfs/dbraw/zinc/75/85/80/822758580.db2.gz HMOVWLYJZKVYSV-UHFFFAOYSA-N 1 0 380.414 4.115 20 0 GIADRO O=C(Nc1cc(Cl)cc(Br)c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000455973329 822759613 /nfs/dbraw/zinc/75/96/13/822759613.db2.gz REJJLJNCLRTRAA-OAHLLOKOSA-N 1 0 386.721 4.195 20 0 GIADRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)ccc1OC ZINC000185289563 822760226 /nfs/dbraw/zinc/76/02/26/822760226.db2.gz XMLUOMUFTFBLNT-HNNXBMFYSA-N 1 0 389.839 4.228 20 0 GIADRO CCc1c2ccccc2oc1[C@H](C)[NH2+]Cc1cccc(N2CCCS2(=O)=O)c1 ZINC000185291277 822760402 /nfs/dbraw/zinc/76/04/02/822760402.db2.gz MYRKQMNXVBJEII-INIZCTEOSA-N 1 0 398.528 4.386 20 0 GIADRO Cc1c2ccccc2oc1[C@@H](C)[NH2+]Cc1cccc(N2CCCS2(=O)=O)c1 ZINC000185292104 822760502 /nfs/dbraw/zinc/76/05/02/822760502.db2.gz IQNDKMPHFMOBMM-MRXNPFEDSA-N 1 0 384.501 4.132 20 0 GIADRO COc1ccc(C[C@@H](C)C[NH2+]CC2CCN(C(=O)c3ccccc3)CC2)cc1F ZINC000185295432 822761152 /nfs/dbraw/zinc/76/11/52/822761152.db2.gz DESFIDPGQOPTSR-GOSISDBHSA-N 1 0 398.522 4.155 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)N(Cc2cccc(F)c2)C[C@@H]2CCCO2)o1 ZINC000051470198 822761505 /nfs/dbraw/zinc/76/15/05/822761505.db2.gz GZDNSUWAOCWLAS-IBGZPJMESA-N 1 0 388.483 4.082 20 0 GIADRO O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000174283323 822762727 /nfs/dbraw/zinc/76/27/27/822762727.db2.gz ZXKDITPDAXRXLA-CQSZACIVSA-N 1 0 393.331 4.202 20 0 GIADRO O=C(N[C@@H](Cc1ccccc1)c1ccccc1F)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000174284622 822762941 /nfs/dbraw/zinc/76/29/41/822762941.db2.gz USARAQPUZJDUEV-REWPJTCUSA-N 1 0 395.522 4.237 20 0 GIADRO COc1ccc([C@H](C)[NH2+]C[C@](C)(O)c2cccc(Cl)c2)cc1Cn1cccn1 ZINC000185306992 822763038 /nfs/dbraw/zinc/76/30/38/822763038.db2.gz AVFYPOLWZISMDX-AOMKIAJQSA-N 1 0 399.922 4.152 20 0 GIADRO C[C@H](c1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1)C(F)(F)F ZINC000455993298 822763104 /nfs/dbraw/zinc/76/31/04/822763104.db2.gz KZVUODUNWHMHAG-BJZITVGISA-N 1 0 380.454 4.441 20 0 GIADRO CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000051531388 822764471 /nfs/dbraw/zinc/76/44/71/822764471.db2.gz XVJJNWYGAIOUIC-YKSBVNFPSA-N 1 0 394.559 4.258 20 0 GIADRO CS[C@@H]1CN(C(=O)c2ccc([C@H](C)C(F)(F)F)cc2)C[C@H]1[NH+]1CCCC1 ZINC000456011741 822766185 /nfs/dbraw/zinc/76/61/85/822766185.db2.gz SENVIRBBNUFTRQ-IAOVAPTHSA-N 1 0 386.483 4.004 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)NC(c2ccc(F)cc2)c2ccc(F)cc2)CC[N@@H+]1C ZINC000174302339 822767434 /nfs/dbraw/zinc/76/74/34/822767434.db2.gz OBRLIFQOIOBTQM-YWZLYKJASA-N 1 0 387.474 4.178 20 0 GIADRO Cc1cnc([C@H]([NH2+]CCCCCn2nnc(-c3ccccc3)n2)C2CC2)s1 ZINC000185344225 822768742 /nfs/dbraw/zinc/76/87/42/822768742.db2.gz OIXGLMWAIPQLLD-GOSISDBHSA-N 1 0 382.537 4.016 20 0 GIADRO COc1ccc2oc(C[NH2+][C@H]3CCN(C(C)=O)Cc4cc(F)ccc43)cc2c1 ZINC000185350004 822769565 /nfs/dbraw/zinc/76/95/65/822769565.db2.gz BMLCCCXJEAGBPI-NRFANRHFSA-N 1 0 382.435 4.164 20 0 GIADRO CC(=O)N1CC[C@H]([NH2+]Cc2ccc(OCC(F)F)cc2)c2ccc(F)cc2C1 ZINC000185350045 822769617 /nfs/dbraw/zinc/76/96/17/822769617.db2.gz ZBYYHBAPCTWFCP-FQEVSTJZSA-N 1 0 392.421 4.053 20 0 GIADRO CC(=O)N1CC[C@H]([NH2+]Cc2cnc(C(C)(C)C)s2)c2ccc(F)cc2C1 ZINC000185354561 822770133 /nfs/dbraw/zinc/77/01/33/822770133.db2.gz GFFRSLPALYFCHC-SFHVURJKSA-N 1 0 375.513 4.163 20 0 GIADRO COc1cc(C[NH2+][C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)ccc1SC ZINC000185354682 822770162 /nfs/dbraw/zinc/77/01/62/822770162.db2.gz DDMMBHINJYMTJZ-IBGZPJMESA-N 1 0 388.508 4.139 20 0 GIADRO COc1ccc([C@@H](Cc2ccccc2C)[NH2+]Cc2ccc(CO)o2)cc1OC ZINC000174321595 822770614 /nfs/dbraw/zinc/77/06/14/822770614.db2.gz IVLDDLZIEVECKM-OAQYLSRUSA-N 1 0 381.472 4.171 20 0 GIADRO Cc1cnc([C@@H](NCCC[NH2+][C@H](c2ncc(C)s2)C2CC2)C2CC2)s1 ZINC000185362521 822771983 /nfs/dbraw/zinc/77/19/83/822771983.db2.gz OEJQUAMZYONPRV-IRXDYDNUSA-N 1 0 376.595 4.388 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000185366369 822772833 /nfs/dbraw/zinc/77/28/33/822772833.db2.gz PZEVNGARHXTUPV-INIZCTEOSA-N 1 0 386.565 4.224 20 0 GIADRO Cc1cc(C[NH2+]C2(c3ccc(Br)cc3)CC2)ccc1-n1cncn1 ZINC000174344021 822775652 /nfs/dbraw/zinc/77/56/52/822775652.db2.gz ORKNUAIMRLNWAJ-UHFFFAOYSA-N 1 0 383.293 4.117 20 0 GIADRO C[C@H](NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccc(-c2ccncc2)cc1 ZINC000174344030 822775658 /nfs/dbraw/zinc/77/56/58/822775658.db2.gz KCEMGVLZXKSYDP-WMZHIEFXSA-N 1 0 392.547 4.470 20 0 GIADRO C[C@@H](CCNC(=O)N(C)CC1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000174360843 822777699 /nfs/dbraw/zinc/77/76/99/822777699.db2.gz RRCJOZCXBFUJJK-HNNXBMFYSA-N 1 0 385.474 4.182 20 0 GIADRO C[C@@H](CCNC(=O)N(C)C[C@H]1CCC[N@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000174361912 822777948 /nfs/dbraw/zinc/77/79/48/822777948.db2.gz VMWWHGMAZSRWCP-HOTGVXAUSA-N 1 0 385.474 4.182 20 0 GIADRO C[C@H](CCNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000174361748 822777952 /nfs/dbraw/zinc/77/79/52/822777952.db2.gz UNJWVIUCPDYZBN-RVKKMQEKSA-N 1 0 385.474 4.323 20 0 GIADRO C[C@H](CCNC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000174361899 822777959 /nfs/dbraw/zinc/77/79/59/822777959.db2.gz VMWWHGMAZSRWCP-HZPDHXFCSA-N 1 0 385.474 4.182 20 0 GIADRO C[C@H]([NH2+]Cc1cc(=O)oc2cc3c(cc12)CCC3)c1ccc(-n2cccn2)cc1 ZINC000174371677 822779725 /nfs/dbraw/zinc/77/97/25/822779725.db2.gz QBCMGTOQXVMWLT-INIZCTEOSA-N 1 0 385.467 4.318 20 0 GIADRO 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 822780151 /nfs/dbraw/zinc/78/01/51/822780151.db2.gz KUNSHHABJBXWEN-FDYHWXHSSA-N 1 0 388.396 4.085 20 0 GIADRO CSc1cccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cccn3)cc2)c1 ZINC000174377711 822780693 /nfs/dbraw/zinc/78/06/93/822780693.db2.gz RFEGLIZXYJNYCT-JKSUJKDBSA-N 1 0 380.517 4.272 20 0 GIADRO COc1cc(C[NH2+]C[C@@H](O)c2ccc(-c3ccccc3)cc2)cc(OC)c1OC ZINC000185418089 822781197 /nfs/dbraw/zinc/78/11/97/822781197.db2.gz FZEJPCXPTYXBOO-OAQYLSRUSA-N 1 0 393.483 4.203 20 0 GIADRO Cc1cc(C[NH2+]C[C@@H](O)c2ccc(-c3ccccc3)cc2)ccc1-n1cncn1 ZINC000185416864 822781274 /nfs/dbraw/zinc/78/12/74/822781274.db2.gz HSSOIMIMSMPBBR-XMMPIXPASA-N 1 0 384.483 4.066 20 0 GIADRO Cn1cccc1[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000174395547 822783763 /nfs/dbraw/zinc/78/37/63/822783763.db2.gz IGTCFVYCBGZZOV-UGKGYDQZSA-N 1 0 383.511 4.130 20 0 GIADRO CC(C)Oc1ccc2ccccc2c1CNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000185438647 822783964 /nfs/dbraw/zinc/78/39/64/822783964.db2.gz XRGJIGYEWCTZHG-UWJYYQICSA-N 1 0 383.536 4.109 20 0 GIADRO COc1ccc(C[NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)cc1F ZINC000174404411 822785589 /nfs/dbraw/zinc/78/55/89/822785589.db2.gz IVOBWWSMPPJZNX-KRWDZBQOSA-N 1 0 379.859 4.335 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)c1cc(F)c(Br)c(Cl)c1 ZINC000456168048 822785677 /nfs/dbraw/zinc/78/56/77/822785677.db2.gz KRFPZVGZEQRSOG-UHFFFAOYSA-N 1 0 379.701 4.092 20 0 GIADRO COCc1cccc(C[NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)c1 ZINC000174406652 822785966 /nfs/dbraw/zinc/78/59/66/822785966.db2.gz ZZFPCRMIIHMFDC-HXUWFJFHSA-N 1 0 375.896 4.334 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2ccccc2Oc2cccnc2)C1 ZINC000052026819 822788313 /nfs/dbraw/zinc/78/83/13/822788313.db2.gz NWYYGZOBBUFMQR-KDURUIRLSA-N 1 0 381.520 4.362 20 0 GIADRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2ccccc2Oc2cccnc2)C1 ZINC000052026820 822788321 /nfs/dbraw/zinc/78/83/21/822788321.db2.gz NWYYGZOBBUFMQR-OALUTQOASA-N 1 0 381.520 4.362 20 0 GIADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]CCCC(C)(C)CO ZINC000174426178 822788375 /nfs/dbraw/zinc/78/83/75/822788375.db2.gz ATJOTKKIWZSWDR-UHFFFAOYSA-N 1 0 394.357 4.140 20 0 GIADRO COc1ccc(-c2noc(C[N@@H+]3CCC[C@@H]3Cc3cccc(F)c3)n2)c(OC)c1 ZINC000052035191 822788873 /nfs/dbraw/zinc/78/88/73/822788873.db2.gz NYVHCKQIBMGNDQ-QGZVFWFLSA-N 1 0 397.450 4.100 20 0 GIADRO Cc1ccc(CCC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c(Br)c1 ZINC000185483833 822789419 /nfs/dbraw/zinc/78/94/19/822789419.db2.gz ANUMVCKWOFHBGE-SFHVURJKSA-N 1 0 393.369 4.167 20 0 GIADRO C[C@H]1CCN(Cc2nnc(-c3ccccc3Cl)o2)CC[N@@H+]1Cc1ccccc1 ZINC000174433762 822789513 /nfs/dbraw/zinc/78/95/13/822789513.db2.gz BVNPQJWMCWJSRP-KRWDZBQOSA-N 1 0 396.922 4.486 20 0 GIADRO Cc1cc2c(cc1C)[C@@H](C(=O)Nc1ccc(C[NH+]3CCSCC3)cc1C)CO2 ZINC000185495437 822790608 /nfs/dbraw/zinc/79/06/08/822790608.db2.gz NNOQZUMQTIWGNS-FQEVSTJZSA-N 1 0 396.556 4.275 20 0 GIADRO CC[C@@H]1CCC[C@H]([NH2+]Cc2cccnc2Oc2cccc(S(C)(=O)=O)c2)C1 ZINC000174445769 822790698 /nfs/dbraw/zinc/79/06/98/822790698.db2.gz IBILVFMLFTZMMT-AEFFLSMTSA-N 1 0 388.533 4.336 20 0 GIADRO C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1CCc2c1ccc(F)c2Br ZINC000456258972 822790997 /nfs/dbraw/zinc/79/09/97/822790997.db2.gz BJXPUCFNMDKELR-QGZVFWFLSA-N 1 0 391.284 4.067 20 0 GIADRO O=C(NCc1ccc(C(F)F)cc1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000185499517 822791155 /nfs/dbraw/zinc/79/11/55/822791155.db2.gz HJRRUXQKAWTBIP-QGZVFWFLSA-N 1 0 377.435 4.244 20 0 GIADRO C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)c1 ZINC000456261552 822791268 /nfs/dbraw/zinc/79/12/68/822791268.db2.gz FXZKVSUSXTUGIQ-PUCZYUMASA-N 1 0 377.488 4.082 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)N2CCC(C(F)(F)F)CC2)[NH+]2CCCC2)cc1 ZINC000174452655 822791817 /nfs/dbraw/zinc/79/18/17/822791817.db2.gz JCEYFMKMIVOLMP-GOSISDBHSA-N 1 0 383.458 4.116 20 0 GIADRO Cn1ccnc1SCc1ccc(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)o1 ZINC000456280781 822793660 /nfs/dbraw/zinc/79/36/60/822793660.db2.gz QOBAXTMSMSLAMD-GOSISDBHSA-N 1 0 396.516 4.107 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)NCC(C)(C)c2ccc(Cl)c(Cl)c2)CC[N@@H+]1C ZINC000174468898 822794353 /nfs/dbraw/zinc/79/43/53/822794353.db2.gz HVZUKIFMUJDOEV-UKRRQHHQSA-N 1 0 386.367 4.395 20 0 GIADRO COc1ccc(C[C@@H](C)C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)cc1OC ZINC000456289159 822794604 /nfs/dbraw/zinc/79/46/04/822794604.db2.gz XLHZUFXMPQLVIR-FOIQADDNSA-N 1 0 382.504 4.070 20 0 GIADRO CC(C)Oc1ccc(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c(F)c1 ZINC000052267682 822795290 /nfs/dbraw/zinc/79/52/90/822795290.db2.gz YDCKZQDTKLRDBK-GOSISDBHSA-N 1 0 375.444 4.165 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)CCCSc2ccc(Br)cc2)C1 ZINC000174492503 822796467 /nfs/dbraw/zinc/79/64/67/822796467.db2.gz MEGOEUCGHPWGGU-OAHLLOKOSA-N 1 0 399.398 4.122 20 0 GIADRO Cc1ccccc1C[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000185753598 822817833 /nfs/dbraw/zinc/81/78/33/822817833.db2.gz ZTHLPCIKMXRIEP-UHFFFAOYSA-N 1 0 384.115 4.392 20 0 GIADRO COCc1c2ccccc2oc1C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000456306720 822796545 /nfs/dbraw/zinc/79/65/45/822796545.db2.gz MWNGMUQFCWTFDH-SFHVURJKSA-N 1 0 392.499 4.173 20 0 GIADRO COc1cccc(-c2nc(C[NH2+][C@@H](C)[C@H]3COc4ccccc43)cs2)c1OC ZINC000185560927 822796661 /nfs/dbraw/zinc/79/66/61/822796661.db2.gz JPJVXZLZCCWBAS-KBXCAEBGSA-N 1 0 396.512 4.482 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)C(C)(C)Cc3nc4ccccc4[nH]3)ccc21 ZINC000456309172 822796920 /nfs/dbraw/zinc/79/69/20/822796920.db2.gz JNDPLWFINCYZSR-HXUWFJFHSA-N 1 0 376.504 4.319 20 0 GIADRO Cn1c2ccc(C(=O)Nc3ccc4c(c3)CC[C@@H]4[NH+](C)C)cc2nc1C(F)F ZINC000456321587 822798213 /nfs/dbraw/zinc/79/82/13/822798213.db2.gz OOLNLZJHGGBRDI-KRWDZBQOSA-N 1 0 384.430 4.312 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Nc1cccc(Oc2ccccn2)c1)c1cccs1 ZINC000174509522 822798795 /nfs/dbraw/zinc/79/87/95/822798795.db2.gz KPNGRGBHJKTJRF-KRWDZBQOSA-N 1 0 382.489 4.360 20 0 GIADRO CC(C)OC(=O)C[C@H]1CCC[N@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000185581381 822798870 /nfs/dbraw/zinc/79/88/70/822798870.db2.gz OZORBGOLZKEUSL-HXUWFJFHSA-N 1 0 382.504 4.214 20 0 GIADRO CCO[C@H]1C[C@@H]([NH2+]Cc2csc(COc3ccc(OC)cc3)n2)C12CCC2 ZINC000174509741 822798886 /nfs/dbraw/zinc/79/88/86/822798886.db2.gz XUKZFXZTSWSZIZ-MOPGFXCFSA-N 1 0 388.533 4.168 20 0 GIADRO CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000185584480 822799211 /nfs/dbraw/zinc/79/92/11/822799211.db2.gz OCKKEZUADAYQEF-IBGZPJMESA-N 1 0 382.504 4.214 20 0 GIADRO O=C(Nc1cccc(Oc2ccccn2)c1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000174513501 822799508 /nfs/dbraw/zinc/79/95/08/822799508.db2.gz XDGJDZCMZLHPHY-UHFFFAOYSA-N 1 0 380.492 4.356 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2oc3ccccc3c2COc2ccccc2)C1 ZINC000174517566 822799937 /nfs/dbraw/zinc/79/99/37/822799937.db2.gz LRPMXTSDTFIZKW-SFHVURJKSA-N 1 0 392.499 4.426 20 0 GIADRO CC[NH+](CC)CCOc1ccc(CNc2ncnc3ccsc32)cc1OC ZINC000052448020 822800032 /nfs/dbraw/zinc/80/00/32/822800032.db2.gz HWOPXSRIROUCOM-UHFFFAOYSA-N 1 0 386.521 4.033 20 0 GIADRO CCC[NH+]1CCC(CNC(=O)N[C@H](CC)c2nc(C(F)(F)F)cs2)CC1 ZINC000174521085 822800324 /nfs/dbraw/zinc/80/03/24/822800324.db2.gz MDEDQCWRSKYPEF-CYBMUJFWSA-N 1 0 392.491 4.034 20 0 GIADRO C[C@H]1CN(C(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000456351897 822801255 /nfs/dbraw/zinc/80/12/55/822801255.db2.gz XIWAXOKFDHTJHK-BHIYHBOVSA-N 1 0 382.470 4.336 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2sc3nc(C(F)(F)F)ccc3c2C)C1 ZINC000174529464 822801653 /nfs/dbraw/zinc/80/16/53/822801653.db2.gz XFCDGFYDXZYQIA-LBPRGKRZSA-N 1 0 385.455 4.037 20 0 GIADRO COC(=O)[C@H]1CCC[C@@H](C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC000174531821 822802104 /nfs/dbraw/zinc/80/21/04/822802104.db2.gz JEFBTRYZODLEJW-MSOLQXFVSA-N 1 0 386.536 4.369 20 0 GIADRO COC(=O)c1cccc(-c2nc(C[NH2+][C@@H](C)[C@H]3COc4ccccc43)cs2)c1 ZINC000185617241 822802743 /nfs/dbraw/zinc/80/27/43/822802743.db2.gz KKEAJGUIQSTPFE-IFXJQAMLSA-N 1 0 394.496 4.251 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cnn(-c3ccc(Cl)cc3)c2C(C)C)C1 ZINC000174539518 822802744 /nfs/dbraw/zinc/80/27/44/822802744.db2.gz NOBYPPAQVUALBR-INIZCTEOSA-N 1 0 388.943 4.063 20 0 GIADRO Cc1ccc(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1Oc1ccncc1 ZINC000174543427 822803235 /nfs/dbraw/zinc/80/32/35/822803235.db2.gz PRSQWSGFUPTHTA-IBGZPJMESA-N 1 0 379.504 4.130 20 0 GIADRO COc1cc(C[N@H+](C)Cc2cccc(C(=O)Nc3ccccc3)c2)ccc1O ZINC000174543651 822803252 /nfs/dbraw/zinc/80/32/52/822803252.db2.gz LYPRIUATUXVASE-UHFFFAOYSA-N 1 0 376.456 4.285 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)N[C@H](CC(F)(F)F)c1ccccc1)c1ccc(F)cc1 ZINC000052555040 822803469 /nfs/dbraw/zinc/80/34/69/822803469.db2.gz XOTRJNJMZOETKW-QZTJIDSGSA-N 1 0 397.416 4.421 20 0 GIADRO COc1cc(C[NH2+][C@@H](C)CC(C)(C)OC)ccc1OCc1c(C)noc1C ZINC000174552899 822804222 /nfs/dbraw/zinc/80/42/22/822804222.db2.gz RKPNJZXBQGHKHP-AWEZNQCLSA-N 1 0 376.497 4.172 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)[C@@H]1COc2ccccc21 ZINC000185631086 822804385 /nfs/dbraw/zinc/80/43/85/822804385.db2.gz QEBPTJUXJXJSHM-FZMZJTMJSA-N 1 0 398.812 4.452 20 0 GIADRO CSC1(C[NH2+]Cc2cc(Br)ccc2OC(F)F)CCOCC1 ZINC000174563896 822805445 /nfs/dbraw/zinc/80/54/45/822805445.db2.gz KYBWJFAAZFHVLW-UHFFFAOYSA-N 1 0 396.297 4.052 20 0 GIADRO Cc1nc(-c2cccs2)sc1C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174564450 822805560 /nfs/dbraw/zinc/80/55/60/822805560.db2.gz CAHBPBOHADHDTC-OAHLLOKOSA-N 1 0 375.563 4.128 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]CC(=O)Nc1cccc(C(C)C)c1 ZINC000185640786 822805716 /nfs/dbraw/zinc/80/57/16/822805716.db2.gz WXIIGXWQEBTWRH-CYBMUJFWSA-N 1 0 396.457 4.475 20 0 GIADRO COc1ccc(C[NH2+][C@@H](C)CCc2cccn2C)cc1OCc1cccnc1 ZINC000174567271 822805940 /nfs/dbraw/zinc/80/59/40/822805940.db2.gz BVZWZIQSAAHKAP-SFHVURJKSA-N 1 0 379.504 4.119 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(F)cc2F)cc1OCC ZINC000052659817 822806593 /nfs/dbraw/zinc/80/65/93/822806593.db2.gz IPUQQEPMQMTFMO-UONOGXRCSA-N 1 0 392.446 4.440 20 0 GIADRO COc1ccc([C@@H](CNC(=O)N(C)[C@H](C)c2ccccc2)[NH+]2CCCC2)cc1 ZINC000052684906 822807271 /nfs/dbraw/zinc/80/72/71/822807271.db2.gz YFAAXANUAUUQPT-XMSQKQJNSA-N 1 0 381.520 4.235 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccccc1N1CCCC1 ZINC000174587644 822808729 /nfs/dbraw/zinc/80/87/29/822808729.db2.gz HNNKHMOWFMQWHS-OAQYLSRUSA-N 1 0 392.547 4.273 20 0 GIADRO C[C@H](N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(=O)Nc1ccccc1C(F)(F)F ZINC000185677945 822809255 /nfs/dbraw/zinc/80/92/55/822809255.db2.gz URZOVTGVGAFFBK-HRCADAONSA-N 1 0 397.485 4.275 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NC[C@H](C)Sc1ccccc1 ZINC000174598661 822810349 /nfs/dbraw/zinc/81/03/49/822810349.db2.gz GZAWSVNWHMGBGI-SFHVURJKSA-N 1 0 398.576 4.049 20 0 GIADRO CCCc1c(C(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)[nH]c(C)c1C(C)=O ZINC000052777234 822810378 /nfs/dbraw/zinc/81/03/78/822810378.db2.gz TYQMIWUHUDMMIE-UHFFFAOYSA-N 1 0 395.547 4.135 20 0 GIADRO Cc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc(C)c1OCc1ccccn1 ZINC000174600501 822810475 /nfs/dbraw/zinc/81/04/75/822810475.db2.gz GFYJPSDHUYVVRU-NOTZXAQLSA-N 1 0 379.548 4.382 20 0 GIADRO C[C@H](NCc1nn(-c2ccccc2)c2c1CCC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185699543 822811431 /nfs/dbraw/zinc/81/14/31/822811431.db2.gz NIWIGURLXJYGET-RBUKOAKNSA-N 1 0 378.564 4.104 20 0 GIADRO CC(C)[C@@H](NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000174608424 822811967 /nfs/dbraw/zinc/81/19/67/822811967.db2.gz WKEAXLOUVAZNMZ-ZWKOTPCHSA-N 1 0 381.442 4.058 20 0 GIADRO O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000174615754 822812839 /nfs/dbraw/zinc/81/28/39/822812839.db2.gz OYQCWZIRLOQNSN-GOSISDBHSA-N 1 0 390.512 4.441 20 0 GIADRO Cc1cc(C)c(NC(=O)CN[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(Cl)c1 ZINC000185710727 822812900 /nfs/dbraw/zinc/81/29/00/822812900.db2.gz HYFUIJISXNUJCA-SJORKVTESA-N 1 0 377.960 4.138 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)N3C[C@H](C)[C@@H]3c3ccccc3)c2)CC1 ZINC000185714508 822813462 /nfs/dbraw/zinc/81/34/62/822813462.db2.gz GWRNAPKGMVKEMQ-PGRDOPGGSA-N 1 0 378.520 4.053 20 0 GIADRO C[C@@H](NCc1nn(-c2ccc(F)cc2)c2c1CCC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185715455 822813615 /nfs/dbraw/zinc/81/36/15/822813615.db2.gz BUUPJQHFPXXEPE-MSOLQXFVSA-N 1 0 396.554 4.243 20 0 GIADRO COc1ccccc1[C@@H](C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)OC(C)C ZINC000185724860 822814703 /nfs/dbraw/zinc/81/47/03/822814703.db2.gz NVDHXKVHKINQQG-HXUWFJFHSA-N 1 0 392.540 4.150 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)NCC(C)(C)c2cccc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000174631543 822814915 /nfs/dbraw/zinc/81/49/15/822814915.db2.gz KKBHZDXERSEKFB-YOEHRIQHSA-N 1 0 385.474 4.107 20 0 GIADRO O=C([C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000456552211 822815428 /nfs/dbraw/zinc/81/54/28/822815428.db2.gz DOGNSODQDMPEFJ-GHTZIAJQSA-N 1 0 382.479 4.385 20 0 GIADRO Cn1cc(C[NH2+]Cc2cccc(Cl)c2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000052916078 822815641 /nfs/dbraw/zinc/81/56/41/822815641.db2.gz DNQODTFQNJPUHP-UHFFFAOYSA-N 1 0 383.879 4.192 20 0 GIADRO C[C@@H](NCC(=O)Nc1cccc(Cl)c1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185739666 822816549 /nfs/dbraw/zinc/81/65/49/822816549.db2.gz BXIYCHGAOLLKOI-ZIAGYGMSSA-N 1 0 384.351 4.175 20 0 GIADRO CCC[NH+]1CCC(NC(=O)c2sc(-c3cccc(Cl)c3)nc2C)CC1 ZINC000052952735 822816562 /nfs/dbraw/zinc/81/65/62/822816562.db2.gz JZWQRYMWDSEFBY-UHFFFAOYSA-N 1 0 377.941 4.376 20 0 GIADRO O=C(c1c[nH]c(=S)n1-c1ccccc1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000052994050 822818002 /nfs/dbraw/zinc/81/80/02/822818002.db2.gz MVCNNUOWTSDQMN-UHFFFAOYSA-N 1 0 398.576 4.263 20 0 GIADRO C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000052994126 822818128 /nfs/dbraw/zinc/81/81/28/822818128.db2.gz LCOGQTOLRCGFFS-GCJKJVERSA-N 1 0 397.563 4.009 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)CCC(=O)c1ccc(F)cc1F ZINC000053016773 822818695 /nfs/dbraw/zinc/81/86/95/822818695.db2.gz VYQJTTCJCDDXFS-UHFFFAOYSA-N 1 0 388.458 4.084 20 0 GIADRO COc1ccc(OC)c(NC(=O)[C@H](C)[N@H+](C)Cc2cccc3ccccc32)c1 ZINC000053017077 822818775 /nfs/dbraw/zinc/81/87/75/822818775.db2.gz PSLOPTAYSAOEBI-INIZCTEOSA-N 1 0 378.472 4.316 20 0 GIADRO C[C@H](NCC(=O)Nc1ccc(Cl)cc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185765208 822818965 /nfs/dbraw/zinc/81/89/65/822818965.db2.gz UGPCVDNQWLNSNO-UONOGXRCSA-N 1 0 384.351 4.175 20 0 GIADRO Cc1cc(C)cc(OCc2noc(CN[C@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)n2)c1 ZINC000185767891 822819454 /nfs/dbraw/zinc/81/94/54/822819454.db2.gz YVNWCZCNDOAZSN-MOPGFXCFSA-N 1 0 398.551 4.008 20 0 GIADRO Cc1ccc(-c2cc(C(=O)N3CCC(C[NH+]4CCCCCC4)CC3)on2)cc1 ZINC000053030134 822819478 /nfs/dbraw/zinc/81/94/78/822819478.db2.gz WEJVPJGCOSSBLL-UHFFFAOYSA-N 1 0 381.520 4.378 20 0 GIADRO CC(C)CCc1nc(CN(C)C2CC[NH+](CCc3ccccn3)CC2)cs1 ZINC000174658919 822819593 /nfs/dbraw/zinc/81/95/93/822819593.db2.gz BKABOTIXHPZJOX-UHFFFAOYSA-N 1 0 386.609 4.266 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC000185783001 822820787 /nfs/dbraw/zinc/82/07/87/822820787.db2.gz QTBIBXSPDDXDBJ-SAPNQHFASA-N 1 0 381.476 4.108 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000174665284 822820866 /nfs/dbraw/zinc/82/08/66/822820866.db2.gz SWARWSUQEIIBJE-HXUWFJFHSA-N 1 0 394.519 4.021 20 0 GIADRO Cc1cc(C)c(C[C@H](C(=O)NC2CC[NH+](C3CCC3)CC2)C(F)(F)F)c(C)c1 ZINC000456684392 822822413 /nfs/dbraw/zinc/82/24/13/822822413.db2.gz OYLWCKKWNBYAEY-HXUWFJFHSA-N 1 0 396.497 4.466 20 0 GIADRO CCC(=O)N(C)c1ccccc1C(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000456693391 822823387 /nfs/dbraw/zinc/82/33/87/822823387.db2.gz MYQZADVWGWRUIM-UHFFFAOYSA-N 1 0 387.568 4.032 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)c1ccccc1OCc1ccc(F)cc1 ZINC000456697477 822823904 /nfs/dbraw/zinc/82/39/04/822823904.db2.gz KZBDENUOQLXNSM-UHFFFAOYSA-N 1 0 382.479 4.151 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)c1ccccc1C(=O)c1ccc(Cl)cc1 ZINC000456697574 822823913 /nfs/dbraw/zinc/82/39/13/822823913.db2.gz LIQYEJRDHYZSJO-UHFFFAOYSA-N 1 0 396.918 4.318 20 0 GIADRO O=C(CCSc1ccccc1Br)NC1CC[NH+](C2CCC2)CC1 ZINC000456700827 822824417 /nfs/dbraw/zinc/82/44/17/822824417.db2.gz OIZJFVSFTCBCAR-UHFFFAOYSA-N 1 0 397.382 4.064 20 0 GIADRO COc1ccc([C@H](CNC(=O)N(C)[C@H](C)c2cccs2)[NH+]2CCCC2)cc1 ZINC000053235566 822827436 /nfs/dbraw/zinc/82/74/36/822827436.db2.gz IIRIDZMRGAKLSH-APWZRJJASA-N 1 0 387.549 4.296 20 0 GIADRO O=C(CN1CC[NH+](CC2CC2)CC1)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000053237910 822827529 /nfs/dbraw/zinc/82/75/29/822827529.db2.gz JLBNKXRVHNAOLA-UHFFFAOYSA-N 1 0 399.922 4.098 20 0 GIADRO C[NH+](C)CC1(CNC(=O)c2ccc(C3SCCCS3)cc2)CCCC1 ZINC000185865223 822828279 /nfs/dbraw/zinc/82/82/79/822828279.db2.gz JEIMHJDGEVLHGU-UHFFFAOYSA-N 1 0 378.607 4.407 20 0 GIADRO CCN(CC)C(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccccc2C)cc1 ZINC000053279337 822828935 /nfs/dbraw/zinc/82/89/35/822828935.db2.gz AOILPTUUCOCHAK-QFIPXVFZSA-N 1 0 393.531 4.253 20 0 GIADRO CC(=O)N1CCC(CNc2c(C)c(C)[nH+]c3ccc(Br)cc32)CC1 ZINC000174729996 822829505 /nfs/dbraw/zinc/82/95/05/822829505.db2.gz WNMJDOCDQLFJGW-UHFFFAOYSA-N 1 0 390.325 4.285 20 0 GIADRO CC(C)CCO[C@H](C)C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000456782076 822830475 /nfs/dbraw/zinc/83/04/75/822830475.db2.gz ADNSZYOPGUUKMI-OAHLLOKOSA-N 1 0 382.932 4.203 20 0 GIADRO CC[NH+](CC)CCSCC(=O)N[C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000174744947 822831459 /nfs/dbraw/zinc/83/14/59/822831459.db2.gz URKLDTXEJFEEPU-HNNXBMFYSA-N 1 0 391.606 4.371 20 0 GIADRO CC[NH+](CC)[C@H](C(=O)N[C@@H](C)c1nc(-c2cccc(F)c2)no1)c1ccccc1 ZINC000174746511 822831592 /nfs/dbraw/zinc/83/15/92/822831592.db2.gz JWSKXFDRUHEJJW-KXBFYZLASA-N 1 0 396.466 4.136 20 0 GIADRO Cc1c(Br)scc1C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185903513 822831849 /nfs/dbraw/zinc/83/18/49/822831849.db2.gz QCYJDYATFYAFCV-OLZOCXBDSA-N 1 0 385.371 4.202 20 0 GIADRO COc1ccccc1Oc1ccc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000174749857 822832126 /nfs/dbraw/zinc/83/21/26/822832126.db2.gz GSRMEKXPQKWHKX-FUHWJXTLSA-N 1 0 383.492 4.434 20 0 GIADRO C[NH+]1CCC(NC(=O)c2sc(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000053371773 822832348 /nfs/dbraw/zinc/83/23/48/822832348.db2.gz AFCGCHMZQCMMEQ-UHFFFAOYSA-N 1 0 377.513 4.301 20 0 GIADRO COc1cc(NC(=O)CC[N@H+](C)[C@H](C)c2cccs2)c(OC)cc1Cl ZINC000174753030 822832518 /nfs/dbraw/zinc/83/25/18/822832518.db2.gz FMMGXEQNOCLSGY-GFCCVEGCSA-N 1 0 382.913 4.440 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2cc3c(cc2Cl)OCO3)C1 ZINC000174753041 822832562 /nfs/dbraw/zinc/83/25/62/822832562.db2.gz FVYGPEISFRSAOS-CABCVRRESA-N 1 0 393.915 4.187 20 0 GIADRO Cc1noc(C)c1COc1cccc(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000053392208 822832701 /nfs/dbraw/zinc/83/27/01/822832701.db2.gz HRJBIVYQIIUCGH-INIZCTEOSA-N 1 0 399.535 4.111 20 0 GIADRO O=C(Nc1ccccc1-c1ccccc1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000174755434 822832892 /nfs/dbraw/zinc/83/28/92/822832892.db2.gz JUMQBQPJDQBOKE-UHFFFAOYSA-N 1 0 393.531 4.462 20 0 GIADRO O=C(Nc1cccc(-c2cc[nH]n2)c1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000185924982 822834264 /nfs/dbraw/zinc/83/42/64/822834264.db2.gz GALWLCCPMLTHEY-NRFANRHFSA-N 1 0 375.476 4.035 20 0 GIADRO O=C(Nc1ccc2c3c(cccc31)CC2)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000174767098 822834371 /nfs/dbraw/zinc/83/43/71/822834371.db2.gz IBQQETPQMYHGMS-UHFFFAOYSA-N 1 0 393.531 4.047 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)Cc2coc(-c3ccc(Br)cc3)n2)[C@H](C)C1 ZINC000174773490 822835264 /nfs/dbraw/zinc/83/52/64/822835264.db2.gz XNSAHZOQAGIGNA-KDOFPFPSSA-N 1 0 392.341 4.266 20 0 GIADRO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)C1 ZINC000174780424 822836035 /nfs/dbraw/zinc/83/60/35/822836035.db2.gz QARYGWCVXBCFTB-FQEVSTJZSA-N 1 0 395.507 4.279 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)N2CC[C@@H](CSc3ccccc3)C2)cc1 ZINC000174780957 822836089 /nfs/dbraw/zinc/83/60/89/822836089.db2.gz QZAJAURBGJOTGQ-HXUWFJFHSA-N 1 0 383.561 4.072 20 0 GIADRO CCC(=O)Nc1ccc(Cl)c(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1 ZINC000174782585 822836323 /nfs/dbraw/zinc/83/63/23/822836323.db2.gz NTLXAXUGMZJCCI-CVEARBPZSA-N 1 0 392.931 4.168 20 0 GIADRO C[C@@H](NC(=[NH2+])NCc1cc(COC(C)(C)C)on1)c1ccc(Cl)cc1Cl ZINC000185953497 822836670 /nfs/dbraw/zinc/83/66/70/822836670.db2.gz IGLVQDTYAGXUSJ-LLVKDONJSA-N 1 0 399.322 4.462 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)N1CCC(C(F)(F)F)CC1 ZINC000174787689 822836934 /nfs/dbraw/zinc/83/69/34/822836934.db2.gz GBMIKADRIHFWID-UHFFFAOYSA-N 1 0 387.446 4.213 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)c2nc(-c3ccccc3)cs2)C1 ZINC000174791195 822837412 /nfs/dbraw/zinc/83/74/12/822837412.db2.gz YPZQXPQZKHDBEN-IRXDYDNUSA-N 1 0 386.565 4.244 20 0 GIADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1cc(F)ccc1OCC(F)(F)F ZINC000174794954 822837831 /nfs/dbraw/zinc/83/78/31/822837831.db2.gz BWOOBHWYXPKRGA-AWEZNQCLSA-N 1 0 391.409 4.105 20 0 GIADRO COc1ccc([C@H](CNC(=O)N(C)Cc2ccccc2)[NH+]2CCCCC2)cc1 ZINC000053527656 822839057 /nfs/dbraw/zinc/83/90/57/822839057.db2.gz YJHQTQFQZUVMIU-QFIPXVFZSA-N 1 0 381.520 4.064 20 0 GIADRO COc1ccc([C@H](CNC(=O)N(C)Cc2cccs2)[NH+]2CCCCC2)cc1 ZINC000053526560 822839134 /nfs/dbraw/zinc/83/91/34/822839134.db2.gz MWOPSFUGQQZKES-FQEVSTJZSA-N 1 0 387.549 4.125 20 0 GIADRO O=C(N[C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000456871628 822839388 /nfs/dbraw/zinc/83/93/88/822839388.db2.gz OESDTVAZWCGFRW-DSKINZAPSA-N 1 0 390.955 4.126 20 0 GIADRO C[N@H+](CCNC(=S)Nc1ccc(SC(F)F)cc1)Cc1ccccc1 ZINC000053533241 822839437 /nfs/dbraw/zinc/83/94/37/822839437.db2.gz IOZLMNMVGXNUTE-UHFFFAOYSA-N 1 0 381.517 4.420 20 0 GIADRO CCN(Cc1ccc(Cl)s1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000053534657 822839458 /nfs/dbraw/zinc/83/94/58/822839458.db2.gz YGPCRJJXOJHAMJ-HNNXBMFYSA-N 1 0 381.929 4.363 20 0 GIADRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)N1CC=C(c2ccc(O)cc2)CC1 ZINC000053540717 822839817 /nfs/dbraw/zinc/83/98/17/822839817.db2.gz ZCOUQMQLTPVMAB-QHCPKHFHSA-N 1 0 391.515 4.028 20 0 GIADRO Cc1ncsc1/C=C/C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000185983420 822840885 /nfs/dbraw/zinc/84/08/85/822840885.db2.gz SRFHCUXLNZTCDD-JFDDCEBESA-N 1 0 375.563 4.116 20 0 GIADRO Cc1ccccc1COc1cccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000174818009 822841515 /nfs/dbraw/zinc/84/15/15/822841515.db2.gz HTZJDEYWZHZGFK-RTWAWAEBSA-N 1 0 379.504 4.274 20 0 GIADRO C[N@H+](Cc1csc(-c2ccoc2)n1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000174828859 822842787 /nfs/dbraw/zinc/84/27/87/822842787.db2.gz ZEZYKTQJLUYFIS-UHFFFAOYSA-N 1 0 377.510 4.234 20 0 GIADRO CC1CC[NH+](Cc2ccc(NC(=O)c3cccc(C[S@](C)=O)c3)cc2)CC1 ZINC000053618516 822842997 /nfs/dbraw/zinc/84/29/97/822842997.db2.gz JPNKNGGCVUKPJS-HHHXNRCGSA-N 1 0 384.545 4.049 20 0 GIADRO CC1CC[NH+](Cc2ccc(NC(=O)CCc3nc(C(C)(C)C)no3)cc2)CC1 ZINC000053619084 822843013 /nfs/dbraw/zinc/84/30/13/822843013.db2.gz MYUZFVVYDIFSLX-UHFFFAOYSA-N 1 0 384.524 4.170 20 0 GIADRO CC(C)(C)[C@H]([NH2+]CC(=O)Nc1cccc(C(=O)NC2CC2)c1)c1ccc(F)cc1 ZINC000053644126 822843713 /nfs/dbraw/zinc/84/37/13/822843713.db2.gz IAKXDISDTZNDSF-OAQYLSRUSA-N 1 0 397.494 4.033 20 0 GIADRO CCc1c(C(=O)Nc2cc(C[NH+](C)C)ccc2C)cnn1-c1ccc(OC)cc1 ZINC000186029921 822845263 /nfs/dbraw/zinc/84/52/63/822845263.db2.gz HWJOPDHPHMIQGE-UHFFFAOYSA-N 1 0 392.503 4.066 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cccc(C[S@](C)=O)c2)cc1 ZINC000053720652 822845999 /nfs/dbraw/zinc/84/59/99/822845999.db2.gz PWJHROFPIAGQHU-XGCWNURASA-N 1 0 384.545 4.192 20 0 GIADRO CC(C)(C)C[C@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1ccccc1 ZINC000186036478 822845965 /nfs/dbraw/zinc/84/59/65/822845965.db2.gz NUOQBVLUXPONKL-NRFANRHFSA-N 1 0 386.561 4.494 20 0 GIADRO CCCc1noc(CCCC(=O)Nc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)n1 ZINC000053722258 822846190 /nfs/dbraw/zinc/84/61/90/822846190.db2.gz CEVZZYQEQLNOLF-QGZVFWFLSA-N 1 0 384.524 4.358 20 0 GIADRO Cc1cc(C)c(NC(=O)CCC[NH+]2CCC(C(=O)C(F)(F)F)CC2)c(C)c1 ZINC000186041141 822846502 /nfs/dbraw/zinc/84/65/02/822846502.db2.gz NBQJCDMYSYESKD-UHFFFAOYSA-N 1 0 384.442 4.174 20 0 GIADRO CCOc1ccc(NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)c2ncccc12 ZINC000186058253 822848101 /nfs/dbraw/zinc/84/81/01/822848101.db2.gz HNCZZYAIJOCGQT-UHFFFAOYSA-N 1 0 382.508 4.116 20 0 GIADRO C[C@H]([NH2+]CCc1nc2cc(F)ccc2n1C)c1cc(Br)ccc1O ZINC000186060755 822848353 /nfs/dbraw/zinc/84/83/53/822848353.db2.gz JHEKDMXPCNBCRD-NSHDSACASA-N 1 0 392.272 4.074 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H](C)c1cccc(O)c1 ZINC000174868705 822848839 /nfs/dbraw/zinc/84/88/39/822848839.db2.gz HRSRXOGHOJEJQD-AZUAARDMSA-N 1 0 381.520 4.007 20 0 GIADRO CC(C)(C[NH+]1CCCC1)NC(=O)Cc1csc(-c2ccc(Cl)s2)n1 ZINC000457062082 822849001 /nfs/dbraw/zinc/84/90/01/822849001.db2.gz ZWYQNORPMIKWNG-UHFFFAOYSA-N 1 0 383.970 4.058 20 0 GIADRO CN(C(=O)[C@@H]1C[C@]12CCCc1ccccc12)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457063097 822849110 /nfs/dbraw/zinc/84/91/10/822849110.db2.gz AYMNVBFBAKONPN-FPOVZHCZSA-N 1 0 394.481 4.156 20 0 GIADRO Cc1ccc2snc(C(=O)N(C)C3CC[NH+](CCC(F)(F)F)CC3)c2c1 ZINC000457068608 822849669 /nfs/dbraw/zinc/84/96/69/822849669.db2.gz LYBOJKKDLBZHRI-UHFFFAOYSA-N 1 0 385.455 4.094 20 0 GIADRO C[C@H](C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)c1cn(C)c2ccccc12 ZINC000457070852 822849903 /nfs/dbraw/zinc/84/99/03/822849903.db2.gz PIDVPSXWMKYYQV-HNNXBMFYSA-N 1 0 395.469 4.157 20 0 GIADRO CC(C)(C[NH+]1CCCC1)NC(=O)c1sc2ccccc2c1Br ZINC000457074850 822850280 /nfs/dbraw/zinc/85/02/80/822850280.db2.gz KKJHKZYXVVXLPA-UHFFFAOYSA-N 1 0 381.339 4.268 20 0 GIADRO CN(C(=O)[C@H]1CCCC[C@@H]1C(F)(F)F)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457082768 822851092 /nfs/dbraw/zinc/85/10/92/822851092.db2.gz JDXGGOPCKFJKMR-KBPBESRZSA-N 1 0 388.396 4.230 20 0 GIADRO CN(C(=O)C[C@H]1CCCc2ccccc21)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457083762 822851287 /nfs/dbraw/zinc/85/12/87/822851287.db2.gz KTWIVQOIRPWURO-QGZVFWFLSA-N 1 0 382.470 4.372 20 0 GIADRO CC(C)CN(C)c1ccc(C(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000457084539 822851453 /nfs/dbraw/zinc/85/14/53/822851453.db2.gz LQDDWZMUPBBKJG-UHFFFAOYSA-N 1 0 399.501 4.268 20 0 GIADRO CN(C(=O)[C@@H]1CCCO[C@H]1c1ccccc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457085723 822851605 /nfs/dbraw/zinc/85/16/05/822851605.db2.gz MYPBDXDVTWHCCU-MOPGFXCFSA-N 1 0 398.469 4.030 20 0 GIADRO C[C@H](Cc1cccc(Cl)c1)C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457086762 822851810 /nfs/dbraw/zinc/85/18/10/822851810.db2.gz OOZITIQLTWZNBG-CQSZACIVSA-N 1 0 390.877 4.394 20 0 GIADRO C[C@H](NC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H](C)c1ccccc1 ZINC000174894299 822851950 /nfs/dbraw/zinc/85/19/50/822851950.db2.gz AAEZOVUMLIONPC-URVUXULASA-N 1 0 379.548 4.342 20 0 GIADRO CCCOc1c(Cl)cc(C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)cc1OCC ZINC000457088328 822852009 /nfs/dbraw/zinc/85/20/09/822852009.db2.gz RICKQXRDBLUAPS-MRXNPFEDSA-N 1 0 382.932 4.082 20 0 GIADRO Cc1ccc2[nH]c(C(=O)N(C)C3CC[NH+](CCC(F)(F)F)CC3)cc2c1C ZINC000457088557 822852239 /nfs/dbraw/zinc/85/22/39/822852239.db2.gz RURVHCSNFXGYMS-UHFFFAOYSA-N 1 0 381.442 4.274 20 0 GIADRO COc1ccsc1[C@@H](C)[NH2+]C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000186108224 822852286 /nfs/dbraw/zinc/85/22/86/822852286.db2.gz NXPZICOLMMWZOY-GFCCVEGCSA-N 1 0 385.455 4.490 20 0 GIADRO CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457089944 822852320 /nfs/dbraw/zinc/85/23/20/822852320.db2.gz UFJQLTUUZOYGPT-NJAFHUGGSA-N 1 0 392.506 4.236 20 0 GIADRO COC(=O)c1c(C[NH+]2CCC(OC)CC2)nc2ccccc2c1-c1ccccc1 ZINC000053897765 822852443 /nfs/dbraw/zinc/85/24/43/822852443.db2.gz LHWNMHJPACWOJO-UHFFFAOYSA-N 1 0 390.483 4.299 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1cn(-c2ccccc2)nn1)c1cc(Br)ccc1O ZINC000186112631 822852643 /nfs/dbraw/zinc/85/26/43/822852643.db2.gz UARBPJAUIHCJEH-OLZOCXBDSA-N 1 0 387.281 4.147 20 0 GIADRO CCCN(C)c1ccc(C(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000457094574 822852981 /nfs/dbraw/zinc/85/29/81/822852981.db2.gz ZSNFBMGZAAPLHO-UHFFFAOYSA-N 1 0 385.474 4.022 20 0 GIADRO C[C@@H](CC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)Cc1cccc(F)c1 ZINC000457094494 822853064 /nfs/dbraw/zinc/85/30/64/822853064.db2.gz ZPEUASCHDPELFO-OAHLLOKOSA-N 1 0 388.449 4.270 20 0 GIADRO Cc1nc2cc(C(=O)N(C)[C@@H]3CC[N@@H+](C(C)C)C3)ccc2n1Cc1ccsc1 ZINC000457098798 822853181 /nfs/dbraw/zinc/85/31/81/822853181.db2.gz ULULPWQAYACZSQ-LJQANCHMSA-N 1 0 396.560 4.009 20 0 GIADRO C[C@H]([NH2+][C@H](CO)c1cccc(Br)c1)c1cc2c(cc1O)CCCC2 ZINC000186121917 822853547 /nfs/dbraw/zinc/85/35/47/822853547.db2.gz SWPMGGDEWCILEX-ORAYPTAESA-N 1 0 390.321 4.418 20 0 GIADRO O=C(N[C@@H]1CCC[C@@H](c2cccc(Cl)c2)C1)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000457107458 822853705 /nfs/dbraw/zinc/85/37/05/822853705.db2.gz BYJSZVRFZQWMJC-YFVAEKQCSA-N 1 0 390.955 4.126 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1scnc1C1CC1)c1cccc(C(F)(F)F)c1 ZINC000186124848 822853848 /nfs/dbraw/zinc/85/38/48/822853848.db2.gz LPUJVXBOECRXKF-CQSZACIVSA-N 1 0 383.439 4.072 20 0 GIADRO CCOc1ccc(-c2nc(C)c(C(=O)N(C)[C@@H]3CC[N@@H+](C(C)C)C3)s2)cc1 ZINC000457110062 822854029 /nfs/dbraw/zinc/85/40/29/822854029.db2.gz HNKYFMDSAOBMJA-QGZVFWFLSA-N 1 0 387.549 4.072 20 0 GIADRO COc1ccccc1-c1nnc(C[N@H+](CCCO)[C@@H]2CCCc3ccccc32)o1 ZINC000174908174 822854042 /nfs/dbraw/zinc/85/40/42/822854042.db2.gz JQMNMJKYJOTVSA-HXUWFJFHSA-N 1 0 393.487 4.007 20 0 GIADRO C[C@@H](Sc1ccccn1)C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000186129473 822854124 /nfs/dbraw/zinc/85/41/24/822854124.db2.gz JZYFJBUBQKWYQT-CZUORRHYSA-N 1 0 397.466 4.000 20 0 GIADRO CCN(Cc1ccncc1)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](CC)CC ZINC000053964977 822854754 /nfs/dbraw/zinc/85/47/54/822854754.db2.gz IEFSHYINLBOQQO-FQEVSTJZSA-N 1 0 388.943 4.350 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2ccccc2C(F)(F)F)CC1 ZINC000053967958 822854822 /nfs/dbraw/zinc/85/48/22/822854822.db2.gz KXBURLSXVSJEJO-UHFFFAOYSA-N 1 0 376.422 4.408 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)CCc2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC000053968160 822854895 /nfs/dbraw/zinc/85/48/95/822854895.db2.gz MJNFUNGMMQPQHN-PGRDOPGGSA-N 1 0 380.532 4.425 20 0 GIADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)C1 ZINC000457116730 822854929 /nfs/dbraw/zinc/85/49/29/822854929.db2.gz LOCHZYGJPBPTHL-CQSZACIVSA-N 1 0 399.482 4.189 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)C(C)(C)Oc2ccc(F)cc2)CC1 ZINC000053968041 822854899 /nfs/dbraw/zinc/85/48/99/822854899.db2.gz LJPNQNMDZLXTAD-UHFFFAOYSA-N 1 0 384.495 4.072 20 0 GIADRO COCc1c2ccccc2oc1C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000053967928 822854931 /nfs/dbraw/zinc/85/49/31/822854931.db2.gz HBICLCIQNBWTQX-UHFFFAOYSA-N 1 0 392.499 4.282 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H](C)SCc2ccccc2)CC1 ZINC000053968547 822854977 /nfs/dbraw/zinc/85/49/77/822854977.db2.gz ZOOCJDMTYORADO-IBGZPJMESA-N 1 0 382.573 4.398 20 0 GIADRO Cc1cc(Br)oc1C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000053968532 822855030 /nfs/dbraw/zinc/85/50/30/822855030.db2.gz ZJFGGVYMDOITIO-UHFFFAOYSA-N 1 0 391.309 4.053 20 0 GIADRO CCCCCC(=O)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000457119269 822855170 /nfs/dbraw/zinc/85/51/70/822855170.db2.gz RFDALQLZABVEHH-UHFFFAOYSA-N 1 0 377.960 4.033 20 0 GIADRO COc1ccsc1[C@H](C)[NH2+][C@H](C)CC(=O)Nc1cccc(N2CCCC2)c1 ZINC000186146858 822855575 /nfs/dbraw/zinc/85/55/75/822855575.db2.gz ARABAWFMKLHOLH-CVEARBPZSA-N 1 0 387.549 4.425 20 0 GIADRO CC[C@H](C)[C@H](C)C(=O)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000457124823 822855712 /nfs/dbraw/zinc/85/57/12/822855712.db2.gz XUGYZIHAUZUXRK-ROUUACIJSA-N 1 0 391.987 4.135 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(N(C)C)c(C)c1 ZINC000174918085 822855873 /nfs/dbraw/zinc/85/58/73/822855873.db2.gz SYUKVWJOXALWRF-OAQYLSRUSA-N 1 0 394.563 4.437 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1ccc(-c2ccccc2Cl)o1 ZINC000053990410 822855899 /nfs/dbraw/zinc/85/58/99/822855899.db2.gz SSBWXAKOARJDRV-UHFFFAOYSA-N 1 0 395.890 4.389 20 0 GIADRO COCCCOc1cccc(C[NH2+][C@H](C)c2cc(Br)ccc2O)c1 ZINC000186154298 822856274 /nfs/dbraw/zinc/85/62/74/822856274.db2.gz PSYLGJKBNRTEOF-CQSZACIVSA-N 1 0 394.309 4.421 20 0 GIADRO NC(=O)NC1CC[NH+](CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000174922724 822856535 /nfs/dbraw/zinc/85/65/35/822856535.db2.gz BYCAAXDIRLIABN-UHFFFAOYSA-N 1 0 387.474 4.010 20 0 GIADRO Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@H]2[NH2+]C2CCC(OC(C)C)CC2)cc1 ZINC000186159929 822856889 /nfs/dbraw/zinc/85/68/89/822856889.db2.gz ARPCHGOZRGETAP-FGGKUVOCSA-N 1 0 393.593 4.406 20 0 GIADRO Cc1ccc(C(F)(F)F)cc1NC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000174932267 822857756 /nfs/dbraw/zinc/85/77/56/822857756.db2.gz OKCMWLLTXYMZIP-UHFFFAOYSA-N 1 0 392.425 4.195 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCc1ccc(Cl)s1 ZINC000174934014 822857844 /nfs/dbraw/zinc/85/78/44/822857844.db2.gz DGQLBMOEHFVEDC-QGZVFWFLSA-N 1 0 376.953 4.315 20 0 GIADRO Cc1nc([C@H]2CCCN2C(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)cs1 ZINC000186182594 822858809 /nfs/dbraw/zinc/85/88/09/822858809.db2.gz VFLDELPBNJPASW-RTBURBONSA-N 1 0 378.586 4.055 20 0 GIADRO Cc1ccc(C(=O)CCCC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000186191514 822859608 /nfs/dbraw/zinc/85/96/08/822859608.db2.gz IYUPEEUUSSXBBI-QFIPXVFZSA-N 1 0 392.543 4.029 20 0 GIADRO C[C@@H]1C[C@H](C(=O)N2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000457192614 822859705 /nfs/dbraw/zinc/85/97/05/822859705.db2.gz DOJMAXZQMJRUBF-HUVFLSCGSA-N 1 0 398.591 4.485 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)c2ccc(NC(=O)[C@H]3C[C@H]3C)cc2)c1 ZINC000054032620 822859809 /nfs/dbraw/zinc/85/98/09/822859809.db2.gz MCBUBGNXCRVOHV-VGSWGCGISA-N 1 0 393.531 4.053 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cc1c[nH]c2cc(Cl)ccc12 ZINC000174949797 822859993 /nfs/dbraw/zinc/85/99/93/822859993.db2.gz AAXXIYYFMHSINR-GOSISDBHSA-N 1 0 395.934 4.344 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCCc1c[nH]c2ccccc12 ZINC000174951984 822860268 /nfs/dbraw/zinc/86/02/68/822860268.db2.gz HZCKOSUQMOUIRP-NRFANRHFSA-N 1 0 389.543 4.471 20 0 GIADRO Cc1ccc(C(=O)NCCCC[N@@H+](C)C2CC2)cc1NC(=O)Nc1ccccc1 ZINC000457197725 822860351 /nfs/dbraw/zinc/86/03/51/822860351.db2.gz JJIUPAPLJBFFKP-UHFFFAOYSA-N 1 0 394.519 4.243 20 0 GIADRO C[C@@](O)(CC(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000457198295 822860407 /nfs/dbraw/zinc/86/04/07/822860407.db2.gz YRRVJDYWIFDBGM-UKILVPOCSA-N 1 0 398.591 4.221 20 0 GIADRO CCOc1ccc(CN(C)C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000054092757 822862075 /nfs/dbraw/zinc/86/20/75/822862075.db2.gz SGZSGNIICXKCKM-UHFFFAOYSA-N 1 0 381.520 4.023 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1SCCc2sccc21 ZINC000174963814 822862119 /nfs/dbraw/zinc/86/21/19/822862119.db2.gz CGNXLIQJRPRFDS-PXNSSMCTSA-N 1 0 386.586 4.059 20 0 GIADRO CCNC(=O)Nc1c(C)cccc1NC(=O)c1ccc(C[N@H+](CC)C2CC2)cc1 ZINC000457282931 822863161 /nfs/dbraw/zinc/86/31/61/822863161.db2.gz BJMKZPJCYTUBPX-UHFFFAOYSA-N 1 0 394.519 4.373 20 0 GIADRO Cc1ccc(NC(=O)c2cc3cc(F)ccc3o2)cc1NC(=O)CC[NH+](C)C ZINC000186237828 822863638 /nfs/dbraw/zinc/86/36/38/822863638.db2.gz FCXKAAMQHJLHJU-UHFFFAOYSA-N 1 0 383.423 4.023 20 0 GIADRO Cc1ccc(-c2nc(CC(=O)N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C(C)C)cs2)cc1 ZINC000174985386 822864316 /nfs/dbraw/zinc/86/43/16/822864316.db2.gz LRKWUFCCOOGTPD-UXHICEINSA-N 1 0 383.561 4.135 20 0 GIADRO CCOc1ccc(C(=O)N2CCC([NH2+][C@@H]3CCc4ccc(F)cc43)CC2)cc1 ZINC000174984855 822864340 /nfs/dbraw/zinc/86/43/40/822864340.db2.gz BWBRTWSAYPYIAS-JOCHJYFZSA-N 1 0 382.479 4.106 20 0 GIADRO CC[C@H](C)Oc1ccc(C(=O)Nc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)cc1 ZINC000186252846 822865263 /nfs/dbraw/zinc/86/52/63/822865263.db2.gz JQGCGJTWINWDSV-KRWDZBQOSA-N 1 0 397.519 4.315 20 0 GIADRO COc1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(OCc3nccn3C)cc2)c1 ZINC000054173347 822865703 /nfs/dbraw/zinc/86/57/03/822865703.db2.gz RDCUKRBZHSIFJQ-QFIPXVFZSA-N 1 0 377.488 4.345 20 0 GIADRO C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000054176124 822866072 /nfs/dbraw/zinc/86/60/72/822866072.db2.gz AOKULIZOKTZVCE-LBPRGKRZSA-N 1 0 387.332 4.095 20 0 GIADRO COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H]2CCCOC2)cc1 ZINC000054181042 822866331 /nfs/dbraw/zinc/86/63/31/822866331.db2.gz UIOXREIPOAHFHZ-SFHVURJKSA-N 1 0 377.488 4.064 20 0 GIADRO CO[C@@H](CNC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccc(F)cc1 ZINC000175011784 822867082 /nfs/dbraw/zinc/86/70/82/822867082.db2.gz BXGWFFBUJSHDIY-JTSKRJEESA-N 1 0 399.510 4.038 20 0 GIADRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+][C@H]3CCCN(C(C)C)C3=O)s2)cc1 ZINC000175011746 822867166 /nfs/dbraw/zinc/86/71/66/822867166.db2.gz ZXHGTRVQYLDZLE-KDOFPFPSSA-N 1 0 387.549 4.177 20 0 GIADRO C[NH+](C)[C@@H]1CCC[C@@H](NCc2csc(COc3ccc(Cl)cc3)n2)C1 ZINC000175012089 822867188 /nfs/dbraw/zinc/86/71/88/822867188.db2.gz RDACKKVTIGRBGW-NVXWUHKLSA-N 1 0 379.957 4.338 20 0 GIADRO CCS[C@H]1CCCC[C@@H]1NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000175013509 822867339 /nfs/dbraw/zinc/86/73/39/822867339.db2.gz XORPQHPGHBRASR-SFTDATJTSA-N 1 0 389.609 4.357 20 0 GIADRO C[C@@H](c1cccc(O)c1)N(C)C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000186268395 822867481 /nfs/dbraw/zinc/86/74/81/822867481.db2.gz KGEYYBRHGUMPQU-HTAPYJJXSA-N 1 0 381.520 4.005 20 0 GIADRO O=C(Nc1ccc2c(c1F)CC[NH2+]C2)N[C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000568996110 822868319 /nfs/dbraw/zinc/86/83/19/822868319.db2.gz VUXCJEUBKNPYJD-SFHVURJKSA-N 1 0 383.442 4.368 20 0 GIADRO C[C@H](C[NH+]1CCCCCC1)NC(=O)Nc1cccc(OCc2cccnc2)c1 ZINC000186274683 822868459 /nfs/dbraw/zinc/86/84/59/822868459.db2.gz KLFQJRZDOCTXEJ-GOSISDBHSA-N 1 0 382.508 4.047 20 0 GIADRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)Nc1cccc(OCc2cccnc2)c1 ZINC000186274667 822868541 /nfs/dbraw/zinc/86/85/41/822868541.db2.gz KLFQJRZDOCTXEJ-SFHVURJKSA-N 1 0 382.508 4.047 20 0 GIADRO CC[C@H]1CN(C(=O)Nc2ccc(SCC[NH+]3CCCCC3)cc2)CCCO1 ZINC000568999073 822868543 /nfs/dbraw/zinc/86/85/43/822868543.db2.gz RWFFBZZMEPNEKX-IBGZPJMESA-N 1 0 391.581 4.297 20 0 GIADRO CCSc1cc(CNC(=O)NCc2ccccc2C[N@H+](C)C(C)C)ccn1 ZINC000186276232 822868958 /nfs/dbraw/zinc/86/89/58/822868958.db2.gz NCLCQLUSYMLIMU-UHFFFAOYSA-N 1 0 386.565 4.033 20 0 GIADRO CC[NH+]1CCC(CNC(=O)Nc2cccc(COc3cccc(F)c3)c2)CC1 ZINC000569005856 822869088 /nfs/dbraw/zinc/86/90/88/822869088.db2.gz CGMTYZGZJASFMD-UHFFFAOYSA-N 1 0 385.483 4.258 20 0 GIADRO COc1ccc2c(CC(=O)N(Cc3ccccc3)C3CC[NH+](C)CC3)coc2c1 ZINC000175024819 822869687 /nfs/dbraw/zinc/86/96/87/822869687.db2.gz SNAVSSGDHJLQLJ-UHFFFAOYSA-N 1 0 392.499 4.107 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)Cc2coc(-c3cccs3)n2)CC1 ZINC000175024637 822869734 /nfs/dbraw/zinc/86/97/34/822869734.db2.gz SLNMFDVBFAYUKC-UHFFFAOYSA-N 1 0 395.528 4.069 20 0 GIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cccn2Cc2cccs2)C1 ZINC000054227886 822869863 /nfs/dbraw/zinc/86/98/63/822869863.db2.gz TWEJHCBVKZDOMM-HKUYNNGSSA-N 1 0 379.529 4.163 20 0 GIADRO O=C1CCCN1[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000569021373 822870477 /nfs/dbraw/zinc/87/04/77/822870477.db2.gz WPVMZYXXUJPIFB-IIDMSEBBSA-N 1 0 381.442 4.001 20 0 GIADRO Cc1c(Cl)cncc1C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000457379773 822871504 /nfs/dbraw/zinc/87/15/04/822871504.db2.gz ARSMIAAUYPLWJI-UHFFFAOYSA-N 1 0 378.303 4.091 20 0 GIADRO Cc1nc(CCC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)oc1-c1ccccc1 ZINC000175036472 822871746 /nfs/dbraw/zinc/87/17/46/822871746.db2.gz JWXUGZVQBAQXCA-UXHICEINSA-N 1 0 381.520 4.056 20 0 GIADRO O=C(Cc1ccccc1OC1CCCC1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000457395753 822872814 /nfs/dbraw/zinc/87/28/14/822872814.db2.gz UTBZYFGBTWQXTF-FQEVSTJZSA-N 1 0 382.504 4.097 20 0 GIADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCCc2ncc(-c3ccccc3)o2)C1 ZINC000054286402 822873239 /nfs/dbraw/zinc/87/32/39/822873239.db2.gz GCTDNTXKSBHSEV-SFHVURJKSA-N 1 0 383.536 4.291 20 0 GIADRO Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000054287646 822873349 /nfs/dbraw/zinc/87/33/49/822873349.db2.gz CUHPLFCHLYILNT-OAHLLOKOSA-N 1 0 388.943 4.074 20 0 GIADRO CCN(C(=O)Cc1coc(-c2cccs2)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186302440 822873404 /nfs/dbraw/zinc/87/34/04/822873404.db2.gz YNLXBQFPZZTAAJ-LJQANCHMSA-N 1 0 395.528 4.069 20 0 GIADRO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)CCSc1ccccc1 ZINC000186302633 822873420 /nfs/dbraw/zinc/87/34/20/822873420.db2.gz WTFAIYHCKVCFMG-KRWDZBQOSA-N 1 0 390.574 4.012 20 0 GIADRO Fc1cccc(C[N@@H+]2CCC[C@@H](c3nc(-c4ncsc4Cl)no3)C2)c1 ZINC000569050700 822873872 /nfs/dbraw/zinc/87/38/72/822873872.db2.gz ZSYYTLFRCRXVGP-GFCCVEGCSA-N 1 0 378.860 4.365 20 0 GIADRO COc1ccc([C@@H]2CC[N@H+](Cc3nnc(-c4ccc(Cl)cc4)n3C)C2)cc1 ZINC000186307889 822874133 /nfs/dbraw/zinc/87/41/33/822874133.db2.gz HMPWNWSBIPLOID-QGZVFWFLSA-N 1 0 382.895 4.134 20 0 GIADRO CCN(CC)c1ncc(CN2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)s1 ZINC000569052353 822874207 /nfs/dbraw/zinc/87/42/07/822874207.db2.gz KHLJAFWTPZKPCN-JOCHJYFZSA-N 1 0 384.593 4.087 20 0 GIADRO CC(C)[C@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)N[C@@H](C)C3CCCCC3)c2C1 ZINC000175059563 822875571 /nfs/dbraw/zinc/87/55/71/822875571.db2.gz RNNHGHMXGWGAFZ-IRXDYDNUSA-N 1 0 385.552 4.070 20 0 GIADRO C[C@@H]1CN(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)[C@@H]1c1ccccc1 ZINC000175060387 822875586 /nfs/dbraw/zinc/87/55/86/822875586.db2.gz IJCVIYAKSTWYEG-XXBNENTESA-N 1 0 377.532 4.096 20 0 GIADRO O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)Nc1cccc(F)c1 ZINC000175059958 822875609 /nfs/dbraw/zinc/87/56/09/822875609.db2.gz KXTFXWYHUUWIQE-UHFFFAOYSA-N 1 0 385.483 4.019 20 0 GIADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)NC[C@@H]1CSc2ccccc21 ZINC000457448021 822875950 /nfs/dbraw/zinc/87/59/50/822875950.db2.gz FLSZDIFMMSDVTL-NVXWUHKLSA-N 1 0 387.574 4.074 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000457451597 822876214 /nfs/dbraw/zinc/87/62/14/822876214.db2.gz RALPNUCLZRYYEC-PXNSSMCTSA-N 1 0 383.492 4.336 20 0 GIADRO C[C@@H]([NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)[C@H](c1ccccc1)N(C)C ZINC000186327514 822876717 /nfs/dbraw/zinc/87/67/17/822876717.db2.gz CUTFFXAHUBLMFG-SGZDXZSOSA-N 1 0 375.557 4.103 20 0 GIADRO O=C(C1CC[NH+](CC2Cc3ccccc3C2)CC1)N(Cc1ccccc1)C1CC1 ZINC000569072896 822876942 /nfs/dbraw/zinc/87/69/42/822876942.db2.gz XCMKJPRUMGZBPN-UHFFFAOYSA-N 1 0 388.555 4.305 20 0 GIADRO Cc1noc(C2CC[NH+](CCCCOc3cccc(C(F)(F)F)c3)CC2)n1 ZINC000054347080 822877240 /nfs/dbraw/zinc/87/72/40/822877240.db2.gz UXOZENHGHKGWJZ-UHFFFAOYSA-N 1 0 383.414 4.435 20 0 GIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2ccccc2OC(F)F)C1 ZINC000054355981 822877936 /nfs/dbraw/zinc/87/79/36/822877936.db2.gz QEGNMJAPJPKKHC-HOCLYGCPSA-N 1 0 375.419 4.245 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)N[C@@H](c1nc(C)cs1)C1CC1)c1ccsc1 ZINC000175074369 822877946 /nfs/dbraw/zinc/87/79/46/822877946.db2.gz MRKZLMPRCOJAOQ-DLBZAZTESA-N 1 0 392.594 4.346 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)N[C@@H]1CCSc2ccccc21 ZINC000457468600 822878088 /nfs/dbraw/zinc/87/80/88/822878088.db2.gz UGSOWSBFXKCIPG-QGZVFWFLSA-N 1 0 375.563 4.058 20 0 GIADRO Cc1cc(Br)c(C(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)s1 ZINC000457472955 822878356 /nfs/dbraw/zinc/87/83/56/822878356.db2.gz REJQCWBUTLINBS-ZFWWWQNUSA-N 1 0 393.350 4.384 20 0 GIADRO Cc1cccc([C@H]2CCCCN2C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)c1C ZINC000175076729 822878244 /nfs/dbraw/zinc/87/82/44/822878244.db2.gz ZJNXJEIPWNUONZ-NFBKMPQASA-N 1 0 399.579 4.041 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+]C2CCC(O)(c3cccnc3)CC2)cc1OCC ZINC000186344364 822878972 /nfs/dbraw/zinc/87/89/72/822878972.db2.gz DXRZLTDNEWDENJ-WMAFBANVSA-N 1 0 384.520 4.360 20 0 GIADRO CN(Cc1ccc2c(c1)COC(C)(C)O2)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186345671 822879217 /nfs/dbraw/zinc/87/92/17/822879217.db2.gz LFFKOLZDRQAMGF-OAQYLSRUSA-N 1 0 380.532 4.286 20 0 GIADRO O=C(COC1CC[NH2+]CC1)N[C@@H]1CCCCC[C@@H]1c1ccccc1C(F)(F)F ZINC000569093244 822879476 /nfs/dbraw/zinc/87/94/76/822879476.db2.gz KPIQPWQMSAVQSH-IEBWSBKVSA-N 1 0 398.469 4.007 20 0 GIADRO C[C@H]([NH2+]C1CCC(O)(c2cccnc2)CC1)c1ccc(F)cc1Br ZINC000186347955 822879677 /nfs/dbraw/zinc/87/96/77/822879677.db2.gz HZHYSIKEGSIHEO-ISWZSGDOSA-N 1 0 393.300 4.464 20 0 GIADRO C[C@@H]1CN(C(=O)NCc2ccccc2CN(C)Cc2ccco2)CCC1(F)F ZINC000569108587 822880523 /nfs/dbraw/zinc/88/05/23/822880523.db2.gz QLFZVNGBPLZSIG-MRXNPFEDSA-N 1 0 391.462 4.098 20 0 GIADRO Cc1ccc([C@H]([NH2+][C@H]2CCC[C@@H](F)C2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000569120485 822881310 /nfs/dbraw/zinc/88/13/10/822881310.db2.gz WZCNJUBYJGMVAX-DYXWJJEUSA-N 1 0 375.509 4.358 20 0 GIADRO CCN(C(=O)c1cc(Br)co1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000457492794 822881489 /nfs/dbraw/zinc/88/14/89/822881489.db2.gz PPECIZCRAQGJGI-RHSMWYFYSA-N 1 0 391.309 4.340 20 0 GIADRO COc1cc(C)c(C[C@H](C)[NH2+]Cc2ccc(OCC(F)(F)F)nc2)cc1OC ZINC000569123583 822881557 /nfs/dbraw/zinc/88/15/57/822881557.db2.gz XTXLBPHXCPXRIJ-AWEZNQCLSA-N 1 0 398.425 4.069 20 0 GIADRO CC(C)(C)[C@@H]([NH2+]CC(=O)Nc1cccc(N2CCCC2=O)c1)c1ccccc1 ZINC000054397317 822882009 /nfs/dbraw/zinc/88/20/09/822882009.db2.gz BLCPBKFCFCVZEM-QFIPXVFZSA-N 1 0 379.504 4.129 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)Cc3cccc(Cl)c3F)C2)s1 ZINC000569128992 822882097 /nfs/dbraw/zinc/88/20/97/822882097.db2.gz GANBXQXVLAPUAC-OAHLLOKOSA-N 1 0 394.943 4.372 20 0 GIADRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1cc(Br)co1 ZINC000457502732 822882720 /nfs/dbraw/zinc/88/27/20/822882720.db2.gz KYLYXYXIXJRSLM-UHFFFAOYSA-N 1 0 395.322 4.152 20 0 GIADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]CC1(CCOCc2ccccc2)CC1 ZINC000186370773 822883402 /nfs/dbraw/zinc/88/34/02/822883402.db2.gz JZCIUOQUFBRPDC-INIZCTEOSA-N 1 0 392.341 4.011 20 0 GIADRO Cc1cc([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc(C)c1OCc1ccccn1 ZINC000054425989 822883848 /nfs/dbraw/zinc/88/38/48/822883848.db2.gz NZRRKWBSMCYZRQ-OAQYLSRUSA-N 1 0 398.470 4.124 20 0 GIADRO O=C(CC[NH2+][C@@H]1CCc2cc(F)ccc21)Nc1cccc(Br)c1 ZINC000569152998 822884839 /nfs/dbraw/zinc/88/48/39/822884839.db2.gz BRABSWSUYOCQRG-QGZVFWFLSA-N 1 0 377.257 4.194 20 0 GIADRO COc1cc(CN2CC[C@@H]([NH2+][C@@H](C)c3csc(C(C)C)n3)C2)cc(OC)c1 ZINC000186380799 822885181 /nfs/dbraw/zinc/88/51/81/822885181.db2.gz ZJJGOOASECLEGK-DOTOQJQBSA-N 1 0 389.565 4.209 20 0 GIADRO CC1(C)OCc2cc(C[NH2+]C[C@H](O)c3cccc(C(F)(F)F)c3)ccc2O1 ZINC000186382128 822885468 /nfs/dbraw/zinc/88/54/68/822885468.db2.gz NEUCZWGFXOYGED-KRWDZBQOSA-N 1 0 381.394 4.174 20 0 GIADRO O=C([C@@H]1C[C@@H]1c1cccc2ccccc21)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000175125638 822887512 /nfs/dbraw/zinc/88/75/12/822887512.db2.gz ADTHFIQYPGJWHQ-DNQXCXABSA-N 1 0 392.543 4.047 20 0 GIADRO COc1ccc(Br)cc1C[NH2+]Cc1ccc2c(c1)COC(C)(C)O2 ZINC000186397256 822887837 /nfs/dbraw/zinc/88/78/37/822887837.db2.gz FTGWRCSAPCSWAX-UHFFFAOYSA-N 1 0 392.293 4.393 20 0 GIADRO Cc1csc(Nc2ccc(C(=O)NCc3ccc(CC[NH+](C)C)cc3)cc2)n1 ZINC000569176996 822889054 /nfs/dbraw/zinc/88/90/54/822889054.db2.gz MMBZJDHTAGCJGO-UHFFFAOYSA-N 1 0 394.544 4.229 20 0 GIADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)N[C@@H]3CCSc4ccc(Cl)cc43)C2)C1 ZINC000457558448 822891003 /nfs/dbraw/zinc/89/10/03/822891003.db2.gz TWYBVCIVTIQXFU-VQIMIIECSA-N 1 0 379.957 4.004 20 0 GIADRO CC(C)c1nn(C)c2sc(C(=O)N3C[C@@H]4CCC[N@@H+]4Cc4ccccc43)cc12 ZINC000175145548 822891368 /nfs/dbraw/zinc/89/13/68/822891368.db2.gz VXTSBQQCDIIRSH-INIZCTEOSA-N 1 0 394.544 4.383 20 0 GIADRO CCC[N@@H+]1CC[C@@H](CNC(=O)NCc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000054509731 822891492 /nfs/dbraw/zinc/89/14/92/822891492.db2.gz OZMZFEDQWZUHKX-HNNXBMFYSA-N 1 0 398.532 4.087 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCO[C@H](c2nccn2C)C1)c1csc(-c2ccccc2F)n1 ZINC000569198208 822891521 /nfs/dbraw/zinc/89/15/21/822891521.db2.gz ZZDREFDPZYRBDY-IYOUNJFTSA-N 1 0 386.496 4.254 20 0 GIADRO CCC[N@@H+]1CC[C@@H](CNC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)C1 ZINC000054509485 822891617 /nfs/dbraw/zinc/89/16/17/822891617.db2.gz YNCIHQLPBDKXQL-INIZCTEOSA-N 1 0 383.458 4.111 20 0 GIADRO CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@@H](c2ccccc2)c2ccc(OCC)cc2)C1 ZINC000054511662 822891889 /nfs/dbraw/zinc/89/18/89/822891889.db2.gz YGRKJPFECSURHI-CVDCTZTESA-N 1 0 395.547 4.206 20 0 GIADRO CN(C(=O)N[C@H](c1ccccc1)C1CC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457565543 822891878 /nfs/dbraw/zinc/89/18/78/822891878.db2.gz DAJNDRNKNMLGFY-GOSISDBHSA-N 1 0 383.458 4.196 20 0 GIADRO Cc1cc(OCc2ccccc2)c(C(=O)N2CCC(CC[NH+](C)C)CC2)s1 ZINC000457565445 822891948 /nfs/dbraw/zinc/89/19/48/822891948.db2.gz CLBLSAOBZMRUOW-UHFFFAOYSA-N 1 0 386.561 4.439 20 0 GIADRO Cc1ccccc1Oc1ccc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)nc1 ZINC000457566781 822892150 /nfs/dbraw/zinc/89/21/50/822892150.db2.gz YARWAAUSYQINOE-UHFFFAOYSA-N 1 0 379.504 4.130 20 0 GIADRO CC[C@@H](CC(F)F)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000457565719 822892175 /nfs/dbraw/zinc/89/21/75/822892175.db2.gz HYXFGZMGONGROZ-DZGCQCFKSA-N 1 0 378.385 4.077 20 0 GIADRO CCOc1cc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc(Cl)c1O ZINC000186423248 822892198 /nfs/dbraw/zinc/89/21/98/822892198.db2.gz OGVXNYFXECPGMC-OAHLLOKOSA-N 1 0 394.924 4.073 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)COCc2cccc(Cl)c2)CC1 ZINC000457567351 822892358 /nfs/dbraw/zinc/89/23/58/822892358.db2.gz GSCYEJMBZATPDE-KRWDZBQOSA-N 1 0 386.923 4.198 20 0 GIADRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)Nc2ccc(Oc3cccnc3)cc2)CC1 ZINC000569212381 822893505 /nfs/dbraw/zinc/89/35/05/822893505.db2.gz TZOVMQFZNQGRPP-HXUWFJFHSA-N 1 0 380.492 4.116 20 0 GIADRO Cc1sc([C@H](C)NC(=O)N(C)CCC[NH+](C)C)nc1-c1ccc(Cl)cc1 ZINC000186429954 822893666 /nfs/dbraw/zinc/89/36/66/822893666.db2.gz SPUXHSJSQKBTGC-ZDUSSCGKSA-N 1 0 394.972 4.426 20 0 GIADRO Cc1cc(Br)cc(C)c1NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000175155516 822893746 /nfs/dbraw/zinc/89/37/46/822893746.db2.gz DWZBFYUWXCDDDU-INIZCTEOSA-N 1 0 382.346 4.404 20 0 GIADRO COC(=O)c1cccc(NC2CC[NH+](Cc3cc4cc(OC)ccc4o3)CC2)c1 ZINC000569223376 822894401 /nfs/dbraw/zinc/89/44/01/822894401.db2.gz SYECQHJFIQHRMZ-UHFFFAOYSA-N 1 0 394.471 4.305 20 0 GIADRO O=C(NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1)c1cccc2[nH]ccc21 ZINC000175160153 822894786 /nfs/dbraw/zinc/89/47/86/822894786.db2.gz VWABOSLCAFEARW-UHFFFAOYSA-N 1 0 397.906 4.095 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)CC1 ZINC000175160057 822894887 /nfs/dbraw/zinc/89/48/87/822894887.db2.gz LRQYOBVVVBUZQQ-UHFFFAOYSA-N 1 0 394.519 4.182 20 0 GIADRO Cc1nc(COc2ccc(C[NH2+]C[C@H](c3ccccc3)C(F)(F)F)cc2)no1 ZINC000186436049 822894979 /nfs/dbraw/zinc/89/49/79/822894979.db2.gz NOGHOJPTBKQARK-GOSISDBHSA-N 1 0 391.393 4.393 20 0 GIADRO [NH3+]C1CCC(OCC(=O)Nc2cccc(CSCc3ccccc3)c2)CC1 ZINC000569245627 822896009 /nfs/dbraw/zinc/89/60/09/822896009.db2.gz QKXAQMCWMYSVEL-UHFFFAOYSA-N 1 0 384.545 4.345 20 0 GIADRO CC(C)(C)OC(=O)N1CCC(CC[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)CC1 ZINC000186440036 822895994 /nfs/dbraw/zinc/89/59/94/822895994.db2.gz INYQRZKAFNPZJG-QHCPKHFHSA-N 1 0 386.536 4.155 20 0 GIADRO Cc1ccc(Oc2ccc(C(=O)N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C(C)C)nc2)cc1 ZINC000457611283 822897119 /nfs/dbraw/zinc/89/71/19/822897119.db2.gz WVLSROMYLHNOBA-MOPGFXCFSA-N 1 0 379.504 4.270 20 0 GIADRO CCOc1cc(C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)ccc1OC(F)F ZINC000186449923 822897630 /nfs/dbraw/zinc/89/76/30/822897630.db2.gz LXPOUEVJGRGKCP-OAQYLSRUSA-N 1 0 375.415 4.318 20 0 GIADRO CSc1ccc2ncnc(N3CC[C@H](C[N@H+](C)Cc4scnc4C)C3)c2c1 ZINC000569263591 822898090 /nfs/dbraw/zinc/89/80/90/822898090.db2.gz MJQKTKNEBAZLNP-OAHLLOKOSA-N 1 0 399.589 4.075 20 0 GIADRO CCOC(=O)N1CC[C@@H]([NH2+][C@H](C)c2sc(-c3ccc(F)cc3)nc2C)C1 ZINC000186454384 822898297 /nfs/dbraw/zinc/89/82/97/822898297.db2.gz XUJOZTGYNQNGFP-MLGOLLRUSA-N 1 0 377.485 4.139 20 0 GIADRO Cc1ccc(CNC(=O)C[NH2+][C@@H](C)c2ccc(Oc3cccnc3)cc2)cc1F ZINC000569269866 822898700 /nfs/dbraw/zinc/89/87/00/822898700.db2.gz ZIOBCWLYNPLMMK-KRWDZBQOSA-N 1 0 393.462 4.288 20 0 GIADRO Cc1ccc(CNC(=O)C[NH2+][C@H](C)c2ccc(Oc3cccnc3)cc2)cc1F ZINC000569269867 822898731 /nfs/dbraw/zinc/89/87/31/822898731.db2.gz ZIOBCWLYNPLMMK-QGZVFWFLSA-N 1 0 393.462 4.288 20 0 GIADRO C[C@H]([NH2+]C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)c1cccnc1 ZINC000186463495 822899296 /nfs/dbraw/zinc/89/92/96/822899296.db2.gz FAQGEDVSHJMLRJ-AWEZNQCLSA-N 1 0 377.410 4.056 20 0 GIADRO Cc1cc(Br)c(C(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)s1 ZINC000457635932 822899473 /nfs/dbraw/zinc/89/94/73/822899473.db2.gz JOZINUOXCYQISQ-SWLSCSKDSA-N 1 0 393.350 4.212 20 0 GIADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2sc(C)cc2OCc2ccccc2)C1 ZINC000457636341 822899529 /nfs/dbraw/zinc/89/95/29/822899529.db2.gz ZONXKJJSQRWHIS-IBGZPJMESA-N 1 0 386.561 4.439 20 0 GIADRO CCCN(C(=O)NCC[N@H+](C)Cc1ccccc1)[C@@H](C)c1ccccc1OC ZINC000569275114 822899758 /nfs/dbraw/zinc/89/97/58/822899758.db2.gz YHUOLGZRWGBETR-IBGZPJMESA-N 1 0 383.536 4.310 20 0 GIADRO CN(c1ccc(NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)cc1F)C1CCCCC1 ZINC000175188755 822900678 /nfs/dbraw/zinc/90/06/78/822900678.db2.gz IYZNLFYWIHPEMO-IBGZPJMESA-N 1 0 386.515 4.073 20 0 GIADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)[C@H](C)Oc1ccc(F)cc1Cl)c1ccco1 ZINC000569280324 822900861 /nfs/dbraw/zinc/90/08/61/822900861.db2.gz BRCWFJQHBDWCGL-XEZPLFJOSA-N 1 0 382.863 4.085 20 0 GIADRO COc1cc([C@H](C)[NH2+]CCc2nn(C)c3ccccc23)ccc1OC(F)F ZINC000186473126 822901015 /nfs/dbraw/zinc/90/10/15/822901015.db2.gz HCRBXKZJAMYFSW-ZDUSSCGKSA-N 1 0 375.419 4.077 20 0 GIADRO COc1ccc(F)cc1[C@H](C)NC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000175190755 822901112 /nfs/dbraw/zinc/90/11/12/822901112.db2.gz TUGCVRWZGLHXGG-PKOBYXMFSA-N 1 0 399.510 4.059 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)c1nc(-c2ccccn2)nc2c1CCC2 ZINC000569285529 822901623 /nfs/dbraw/zinc/90/16/23/822901623.db2.gz RBSJYTJZEVZXHG-UHFFFAOYSA-N 1 0 387.531 4.115 20 0 GIADRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)[C@@H](C)CC(F)(F)F ZINC000457652734 822901761 /nfs/dbraw/zinc/90/17/61/822901761.db2.gz AUJUJBTZGXPVSY-WMLDXEAASA-N 1 0 394.441 4.166 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H](c2nc(C)cs2)C2CC2)c1 ZINC000175198899 822902522 /nfs/dbraw/zinc/90/25/22/822902522.db2.gz LHDQDXAGWGPSFU-LJQANCHMSA-N 1 0 386.565 4.244 20 0 GIADRO Cc1cnn(CCCCC[NH2+][C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000569292921 822903008 /nfs/dbraw/zinc/90/30/08/822903008.db2.gz FJDHSVOUOHFRQL-VQTJNVASSA-N 1 0 378.923 4.189 20 0 GIADRO CC(C)c1ccccc1OCC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000569298883 822903695 /nfs/dbraw/zinc/90/36/95/822903695.db2.gz DKAFQJNNUWJOTJ-FCHUYYIVSA-N 1 0 392.543 4.169 20 0 GIADRO CC(=O)N(Cc1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)cc1)C(C)C ZINC000569307002 822905159 /nfs/dbraw/zinc/90/51/59/822905159.db2.gz PQNCXMQAHUBZRH-QFIPXVFZSA-N 1 0 385.552 4.179 20 0 GIADRO Cc1ccc(Oc2ccc(C(=O)N3CCC(CCC[NH+](C)C)CC3)nc2)cc1 ZINC000457676373 822905321 /nfs/dbraw/zinc/90/53/21/822905321.db2.gz BUNNYPRLLWBZNM-UHFFFAOYSA-N 1 0 381.520 4.376 20 0 GIADRO O=S1(=O)C[C@@H](C[NH2+][C@H]2CC3(CCCCC3)Oc3ccccc32)c2ccccc21 ZINC000569310042 822905347 /nfs/dbraw/zinc/90/53/47/822905347.db2.gz UHPRDAABVUZZHT-XLIONFOSSA-N 1 0 397.540 4.374 20 0 GIADRO CCCOC[C@@H](Cc1cccc(Br)c1)[NH2+][C@@H](C)c1c[nH]nc1C ZINC000186503602 822905821 /nfs/dbraw/zinc/90/58/21/822905821.db2.gz MNTOQDWVBXFSFX-SUMWQHHRSA-N 1 0 380.330 4.169 20 0 GIADRO CC(C)(C)C(=O)N1CCC([NH2+]CC2(c3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000186507588 822906382 /nfs/dbraw/zinc/90/63/82/822906382.db2.gz ZGKXWQRYZHONKB-UHFFFAOYSA-N 1 0 382.470 4.364 20 0 GIADRO CC(C)N(C)c1ccc(NC(=O)NC2CC[NH+](C3CCCC3)CC2)cc1F ZINC000175214641 822906433 /nfs/dbraw/zinc/90/64/33/822906433.db2.gz WVJYBGKCECFKKS-UHFFFAOYSA-N 1 0 376.520 4.199 20 0 GIADRO Cc1cccc(Oc2ccc(C(=O)N3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)nc2)c1 ZINC000457689705 822906879 /nfs/dbraw/zinc/90/68/79/822906879.db2.gz WJUHMUZOUBCMJF-JPYJTQIMSA-N 1 0 391.515 4.271 20 0 GIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CC=C(c3ccc(O)cc3)CC2)C1 ZINC000054716986 822907368 /nfs/dbraw/zinc/90/73/68/822907368.db2.gz HECPNYXAOBRNDT-AVRDEDQJSA-N 1 0 391.515 4.026 20 0 GIADRO CC(C)Oc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(Cl)c1 ZINC000457691669 822907421 /nfs/dbraw/zinc/90/74/21/822907421.db2.gz ZDFHBBRJMOERSE-FOIQADDNSA-N 1 0 376.928 4.216 20 0 GIADRO O=C(c1cc(Cl)c[nH]1)N1CCC([NH2+][C@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000569325651 822907762 /nfs/dbraw/zinc/90/77/62/822907762.db2.gz XPLWXDOMDZTRIC-IBGZPJMESA-N 1 0 375.875 4.153 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)c1nc2c(s1)CCC2)c1ccsc1 ZINC000457697971 822908253 /nfs/dbraw/zinc/90/82/53/822908253.db2.gz YRPXRLHEPORUFV-XJKSGUPXSA-N 1 0 392.594 4.137 20 0 GIADRO O=C(Nc1ccc(Oc2ccccn2)cc1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000569330219 822908284 /nfs/dbraw/zinc/90/82/84/822908284.db2.gz XWJIHAWLKUPSNS-FXAWDEMLSA-N 1 0 380.492 4.260 20 0 GIADRO O=C(Nc1ccc(Oc2ccccn2)cc1)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000569330220 822908298 /nfs/dbraw/zinc/90/82/98/822908298.db2.gz XWJIHAWLKUPSNS-PXNSSMCTSA-N 1 0 380.492 4.260 20 0 GIADRO C[C@H]1CN(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)[C@@H]1c1ccccc1 ZINC000175224558 822908438 /nfs/dbraw/zinc/90/84/38/822908438.db2.gz BUNSRUOUIJLNEK-JTSKRJEESA-N 1 0 381.495 4.193 20 0 GIADRO Cc1cc(Br)c(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)s1 ZINC000457702873 822908521 /nfs/dbraw/zinc/90/85/21/822908521.db2.gz RTVOICVFYRHAIM-OLZOCXBDSA-N 1 0 385.371 4.202 20 0 GIADRO COc1cccc([C@H](CNC(=O)N[C@@H](C)c2ccc(C)s2)[NH+]2CCCC2)c1 ZINC000054732083 822908601 /nfs/dbraw/zinc/90/86/01/822908601.db2.gz HUKIZYDZPQZEFL-LPHOPBHVSA-N 1 0 387.549 4.262 20 0 GIADRO O=C(Nc1ccc(Oc2ccccn2)cc1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000569330222 822908633 /nfs/dbraw/zinc/90/86/33/822908633.db2.gz XWJIHAWLKUPSNS-YLJYHZDGSA-N 1 0 380.492 4.260 20 0 GIADRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(-c2nc3cc(F)ccc3n2C)cc1C ZINC000569338125 822909147 /nfs/dbraw/zinc/90/91/47/822909147.db2.gz AUYARECWPHAMMY-IRXDYDNUSA-N 1 0 380.467 4.014 20 0 GIADRO COc1ccc2c(c1)nc(C[NH2+][C@H](C)[C@@H](C)c1nc3ccccc3s1)n2C ZINC000186538517 822910533 /nfs/dbraw/zinc/91/05/33/822910533.db2.gz CMZDREUVAFTELB-ZIAGYGMSSA-N 1 0 380.517 4.473 20 0 GIADRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccsc1)c1ccc(OC(F)F)cc1 ZINC000457725741 822911138 /nfs/dbraw/zinc/91/11/38/822911138.db2.gz WFCJIONYXVIBLT-AWEZNQCLSA-N 1 0 397.491 4.184 20 0 GIADRO CC(C)Oc1cccc([C@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccsc2)c1 ZINC000457728748 822911888 /nfs/dbraw/zinc/91/18/88/822911888.db2.gz JWLXAEDVDAELHZ-KRWDZBQOSA-N 1 0 389.565 4.370 20 0 GIADRO Cn1c2ccccc2nc1C(C)(C)[NH2+]C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000186554654 822912290 /nfs/dbraw/zinc/91/22/90/822912290.db2.gz JUYQJXKJCRRJBI-INIZCTEOSA-N 1 0 391.437 4.020 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)N[C@@H](Cc2ccccc2)c2ccccc2F)CC[N@@H+]1C ZINC000175243315 822912492 /nfs/dbraw/zinc/91/24/92/822912492.db2.gz OKDLLYVSHILHGH-JUXOCIIHSA-N 1 0 383.511 4.234 20 0 GIADRO CN(C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)c1cc(F)ccc1F ZINC000569382711 822913805 /nfs/dbraw/zinc/91/38/05/822913805.db2.gz BSMXTTGLZDIBOR-INIZCTEOSA-N 1 0 380.385 4.085 20 0 GIADRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1noc(Cc2ccccc2)n1 ZINC000569381974 822913843 /nfs/dbraw/zinc/91/38/43/822913843.db2.gz JMMYYSDJURVOOO-NRFANRHFSA-N 1 0 390.531 4.051 20 0 GIADRO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)N1C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000457753131 822914825 /nfs/dbraw/zinc/91/48/25/822914825.db2.gz XGEDOUPJCYKKPP-NXOAAHMSSA-N 1 0 377.495 4.402 20 0 GIADRO C/C(=C\c1ccccc1OC(F)F)C[NH2+]CC1(N2CCCCC2)CCOCC1 ZINC000569395734 822916081 /nfs/dbraw/zinc/91/60/81/822916081.db2.gz HVZASLNIYLRPSE-OBGWFSINSA-N 1 0 394.506 4.316 20 0 GIADRO COc1cc([C@@H](C)[NH2+]C2(Cc3ccccc3)CC2)ccc1S(=O)(=O)C(F)F ZINC000186579404 822916579 /nfs/dbraw/zinc/91/65/79/822916579.db2.gz PSAWDCUSJYBMGW-CQSZACIVSA-N 1 0 395.471 4.117 20 0 GIADRO CC(C)Sc1ccc(C(=O)N(Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000186579243 822916737 /nfs/dbraw/zinc/91/67/37/822916737.db2.gz OPZMUKJRNQXVEW-HXUWFJFHSA-N 1 0 383.561 4.367 20 0 GIADRO O=C(c1ccc(-c2ccccc2F)o1)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000186585382 822917853 /nfs/dbraw/zinc/91/78/53/822917853.db2.gz QQBFKWQCFWJQRD-GOSISDBHSA-N 1 0 393.462 4.265 20 0 GIADRO CC1(C)OCc2cc(C[NH+]3CCC(O)(Cc4cccc(F)c4)CC3)ccc2O1 ZINC000186591564 822919219 /nfs/dbraw/zinc/91/92/19/822919219.db2.gz FJYLLTPLJNDARC-UHFFFAOYSA-N 1 0 385.479 4.040 20 0 GIADRO O=C(Cc1ccc(Cl)cc1Cl)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000186591249 822919259 /nfs/dbraw/zinc/91/92/59/822919259.db2.gz ZMOSJBPPPWCIAS-GOSISDBHSA-N 1 0 392.330 4.102 20 0 GIADRO CCOc1ccc(NC(=O)C[NH2+]C/C(C)=C/c2ccccc2OC(F)F)cc1 ZINC000569413853 822919352 /nfs/dbraw/zinc/91/93/52/822919352.db2.gz ZCQGUGVDAHBOKT-NTCAYCPXSA-N 1 0 390.430 4.318 20 0 GIADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N[C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000457790503 822919568 /nfs/dbraw/zinc/91/95/68/822919568.db2.gz QHCXZYZUSQBLRV-NBYUQASBSA-N 1 0 375.944 4.292 20 0 GIADRO Fc1cccc([C@@H]2CC[C@@H]([NH2+][C@H]3CCCc4c3cnn4-c3ncccn3)C2)c1 ZINC000569416584 822919892 /nfs/dbraw/zinc/91/98/92/822919892.db2.gz FJKDSVKDZWAPMV-POAQFYNOSA-N 1 0 377.467 4.105 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cnc(Cl)c(Cl)c1 ZINC000175277733 822922392 /nfs/dbraw/zinc/92/23/92/822922392.db2.gz YHSYEHVNWJVAMN-INIZCTEOSA-N 1 0 392.330 4.373 20 0 GIADRO CC[C@@H]1CN(C(=O)Nc2c(C(C)C)cccc2C(C)C)CC[N@@H+]1C[C@@H](C)O ZINC000175283276 822923908 /nfs/dbraw/zinc/92/39/08/822923908.db2.gz KGYBVDUQJZULAP-QZTJIDSGSA-N 1 0 375.557 4.242 20 0 GIADRO C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000175285203 822924418 /nfs/dbraw/zinc/92/44/18/822924418.db2.gz FCZGCBZHQZORPM-UHFFFAOYSA-N 1 0 391.446 4.313 20 0 GIADRO CN(Cc1ncc(-c2cccc(F)c2)o1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000175285065 822924498 /nfs/dbraw/zinc/92/44/98/822924498.db2.gz VZBBWGGFCSXKIH-IBGZPJMESA-N 1 0 379.479 4.435 20 0 GIADRO [NH3+][C@H](CCC(=O)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1)c1ccccc1 ZINC000569449198 822924879 /nfs/dbraw/zinc/92/48/79/822924879.db2.gz WFPUBWKEUBLZHH-QZTJIDSGSA-N 1 0 383.561 4.208 20 0 GIADRO CC(C)[NH2+]CCCNC(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000569458937 822925759 /nfs/dbraw/zinc/92/57/59/822925759.db2.gz FQXLKGVMAWBCEI-UHFFFAOYSA-N 1 0 394.972 4.227 20 0 GIADRO CC(C)(NC(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)c(F)c1 ZINC000175290006 822925820 /nfs/dbraw/zinc/92/58/20/822925820.db2.gz PHWHBOIRSNADSS-UHFFFAOYSA-N 1 0 387.474 4.164 20 0 GIADRO CC1CC[NH+](C2CCC(NC(=O)c3ncoc3-c3ccc(F)cc3)CC2)CC1 ZINC000186627145 822925841 /nfs/dbraw/zinc/92/58/41/822925841.db2.gz SLNUPVKNXLLFRV-UHFFFAOYSA-N 1 0 385.483 4.254 20 0 GIADRO C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000457857051 822925911 /nfs/dbraw/zinc/92/59/11/822925911.db2.gz DKCCSCDYOQJGEY-PWHSHALESA-N 1 0 392.547 4.022 20 0 GIADRO COc1cc(C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)ccc1OCC(F)(F)F ZINC000569463387 822926186 /nfs/dbraw/zinc/92/61/86/822926186.db2.gz HSLIPIXXMNXNOW-FUHWJXTLSA-N 1 0 385.426 4.170 20 0 GIADRO COc1ccccc1NC(=S)NC[C@@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000054971306 822926665 /nfs/dbraw/zinc/92/66/65/822926665.db2.gz NTMFETIMAHITJV-IBGZPJMESA-N 1 0 399.560 4.217 20 0 GIADRO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000569477224 822927849 /nfs/dbraw/zinc/92/78/49/822927849.db2.gz ZBDAXVPMQOAJKU-SQNIBIBYSA-N 1 0 394.494 4.236 20 0 GIADRO C[C@H](NC(=O)NC(C)(C)CCC[NH+](C)C)c1cccc(OCc2ccccn2)c1 ZINC000457880409 822928162 /nfs/dbraw/zinc/92/81/62/822928162.db2.gz RFAIJAWIACGCHR-SFHVURJKSA-N 1 0 398.551 4.141 20 0 GIADRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)c2cncc(-c3ccc(Cl)cc3)c2)CC1 ZINC000569483552 822928254 /nfs/dbraw/zinc/92/82/54/822928254.db2.gz QMSCGDPXXUAFLO-HXUWFJFHSA-N 1 0 383.923 4.252 20 0 GIADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@@H]2c2csc(C)n2)C1 ZINC000186642880 822928391 /nfs/dbraw/zinc/92/83/91/822928391.db2.gz VMVAMUBDOPTYLV-FUHWJXTLSA-N 1 0 378.586 4.199 20 0 GIADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CC(C)(C)c1ccccc1 ZINC000175299510 822928658 /nfs/dbraw/zinc/92/86/58/822928658.db2.gz OAHUIQATJNLMCU-UHFFFAOYSA-N 1 0 395.547 4.144 20 0 GIADRO C[C@H](CC(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21)n1ccnc1 ZINC000569490239 822929019 /nfs/dbraw/zinc/92/90/19/822929019.db2.gz WAIMLQGWOPEKBO-CZUORRHYSA-N 1 0 384.480 4.291 20 0 GIADRO S=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)Nc1ccc2c(c1)OCCO2 ZINC000055005197 822930083 /nfs/dbraw/zinc/93/00/83/822930083.db2.gz ODJLZEYPWVIMFU-UHFFFAOYSA-N 1 0 397.544 4.295 20 0 GIADRO O=C(NC1CCOCC1)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457898244 822930547 /nfs/dbraw/zinc/93/05/47/822930547.db2.gz ZHQNSJGZMKCTOB-QHCPKHFHSA-N 1 0 399.579 4.032 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)Nc2ccccc2OC(F)F)CC1 ZINC000175307019 822930860 /nfs/dbraw/zinc/93/08/60/822930860.db2.gz JQNNALCDVNGPKC-UHFFFAOYSA-N 1 0 389.446 4.416 20 0 GIADRO CC(C)Cc1ccc(C(=O)C(C(=S)NC(C)C)[n+]2ccc(N(C)C)cc2)cc1 ZINC000055012642 822931031 /nfs/dbraw/zinc/93/10/31/822931031.db2.gz ISQIBOFJNVFNBM-UHFFFAOYSA-O 1 0 398.596 4.175 20 0 GIADRO C[C@@H](CNC(=O)NC1(c2cccc(C(F)(F)F)c2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000569511499 822932285 /nfs/dbraw/zinc/93/22/85/822932285.db2.gz HYMRUIWWIJIOGE-GJZGRUSLSA-N 1 0 383.458 4.114 20 0 GIADRO Oc1ccc(Br)c(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)c1 ZINC000569531868 822935393 /nfs/dbraw/zinc/93/53/93/822935393.db2.gz OCOFJMSEDFKSMQ-HBFSDRIKSA-N 1 0 388.305 4.159 20 0 GIADRO CN1CC[C@H]([NH2+][C@H](C(=O)Nc2ccccc2)c2ccccc2)[C@H]1c1ccccc1 ZINC000569533222 822935674 /nfs/dbraw/zinc/93/56/74/822935674.db2.gz FJIQGISFXQDQLS-KMDXXIMOSA-N 1 0 385.511 4.401 20 0 GIADRO COc1ccc([C@H](C)NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1F ZINC000175327123 822936108 /nfs/dbraw/zinc/93/61/08/822936108.db2.gz XHNRKVMXEVNARR-UWVAXJGDSA-N 1 0 399.510 4.248 20 0 GIADRO Cc1sc2[nH]c(C[NH2+][C@](C)(CO)C(C)C)nc(=O)c2c1-c1ccc(C)cc1 ZINC000569534006 822936091 /nfs/dbraw/zinc/93/60/91/822936091.db2.gz STBXPSMNAKYEIG-OAQYLSRUSA-N 1 0 385.533 4.177 20 0 GIADRO O=C(CC1(CSc2ccccc2)CC1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000186684975 822936812 /nfs/dbraw/zinc/93/68/12/822936812.db2.gz BWPUYWNUKCBFKA-UHFFFAOYSA-N 1 0 395.572 4.377 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)Nc1ccccc1 ZINC000055087404 822937009 /nfs/dbraw/zinc/93/70/09/822937009.db2.gz USUYEMGBQJPLPA-UHFFFAOYSA-N 1 0 376.298 4.045 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)N[C@H](C(C)(C)C)C(F)(F)F)[C@@H]1c1cccs1 ZINC000569541919 822937144 /nfs/dbraw/zinc/93/71/44/822937144.db2.gz GWPBGGJEJNYMNV-BPLDGKMQSA-N 1 0 391.503 4.407 20 0 GIADRO CCC1(CNC(=O)c2c[nH]nc2-c2ccoc2)CC[NH+](Cc2ccccc2)CC1 ZINC000569542871 822937529 /nfs/dbraw/zinc/93/75/29/822937529.db2.gz SNWGPUSWNDRRNN-UHFFFAOYSA-N 1 0 392.503 4.092 20 0 GIADRO CCc1nc(CC(=O)NC[C@H](c2ccccc2Cl)[NH+](CC)CC)cs1 ZINC000055109688 822939171 /nfs/dbraw/zinc/93/91/71/822939171.db2.gz RGOAMSUPVARGEO-QGZVFWFLSA-N 1 0 379.957 4.101 20 0 GIADRO COc1ccc(Sc2ccc(NC(=O)N(C3CC3)[C@@H]3CC[NH2+]C3)cc2)cc1 ZINC000569555937 822939474 /nfs/dbraw/zinc/93/94/74/822939474.db2.gz JUCLCNWKQZUARL-QGZVFWFLSA-N 1 0 383.517 4.205 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000457941086 822941281 /nfs/dbraw/zinc/94/12/81/822941281.db2.gz REHPQWMZSQRVNV-HTAPYJJXSA-N 1 0 398.576 4.307 20 0 GIADRO COc1c(F)cc(NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)cc1F ZINC000175351436 822942264 /nfs/dbraw/zinc/94/22/64/822942264.db2.gz UTPASXJXXLZKRH-UHFFFAOYSA-N 1 0 389.446 4.102 20 0 GIADRO COc1ccc([C@@H](Nc2cccc(N3CCCCC3=O)c2)[C@@H]2CCC[NH2+]2)cc1 ZINC000569591848 822943059 /nfs/dbraw/zinc/94/30/59/822943059.db2.gz BBJCFPANVFXULY-JTHBVZDNSA-N 1 0 379.504 4.117 20 0 GIADRO CC(C)c1ccc(OC2CC[NH+](Cc3ccc4c(c3)NC(=O)CO4)CC2)cc1 ZINC000569598752 822943266 /nfs/dbraw/zinc/94/32/66/822943266.db2.gz LMDUQBIQMYLZOG-UHFFFAOYSA-N 1 0 380.488 4.184 20 0 GIADRO CCSc1cc(CNC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)ccn1 ZINC000186717909 822943930 /nfs/dbraw/zinc/94/39/30/822943930.db2.gz ROTBSGXPAQBCNT-KRWDZBQOSA-N 1 0 398.576 4.218 20 0 GIADRO Cc1ccc(NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)c(OCc2ccccc2)c1 ZINC000175357603 822944746 /nfs/dbraw/zinc/94/47/46/822944746.db2.gz XGUAZHOUOYHRRQ-FQEVSTJZSA-N 1 0 377.488 4.052 20 0 GIADRO CSc1ccc([C@H](C[NH2+]Cc2c[nH]nc2-c2cccc(C)c2)N(C)C)cc1 ZINC000569616809 822945485 /nfs/dbraw/zinc/94/54/85/822945485.db2.gz GQMPTKRWQFKZDV-NRFANRHFSA-N 1 0 380.561 4.500 20 0 GIADRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCCc2ccc3c(c2)OCCO3)c2ccccc21 ZINC000569626851 822946679 /nfs/dbraw/zinc/94/66/79/822946679.db2.gz BAYUBLPDRLLQSM-NHCUHLMSSA-N 1 0 395.499 4.162 20 0 GIADRO CCc1nnc(-c2cccc(NC(=O)[C@H](c3ccccc3)[NH+](CC)CC)c2)o1 ZINC000175363995 822947236 /nfs/dbraw/zinc/94/72/36/822947236.db2.gz YQWAUKAWDBMCTC-FQEVSTJZSA-N 1 0 378.476 4.321 20 0 GIADRO CSC1(CNC(=O)N[C@H](c2ccccc2)C2CCCC2)CC[NH+](C)CC1 ZINC000569634998 822948003 /nfs/dbraw/zinc/94/80/03/822948003.db2.gz KNYGEYVYVJYESK-LJQANCHMSA-N 1 0 375.582 4.045 20 0 GIADRO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CCC(=O)Nc1ccccc1Cl ZINC000175378584 822951711 /nfs/dbraw/zinc/95/17/11/822951711.db2.gz NJDOXKMFPNYCDV-HWRSSNJWSA-N 1 0 378.925 4.099 20 0 GIADRO C[C@@H](NC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)[C@@H](C)C1CCCCC1 ZINC000175381056 822952640 /nfs/dbraw/zinc/95/26/40/822952640.db2.gz DPDXHLYQEGFXBH-QZTJIDSGSA-N 1 0 375.557 4.490 20 0 GIADRO CSCCCCC[NH2+][C@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000186777684 822953989 /nfs/dbraw/zinc/95/39/89/822953989.db2.gz DGGBUOBWMYPSFR-QGZVFWFLSA-N 1 0 384.611 4.045 20 0 GIADRO CCN(C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)[C@H](C)Cc1ccsc1 ZINC000186783616 822954728 /nfs/dbraw/zinc/95/47/28/822954728.db2.gz WZQXGZHWSWBDSJ-SJLPKXTDSA-N 1 0 375.538 4.141 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCc3cccnc3OC3CCCC3)ccc21 ZINC000569681712 822954954 /nfs/dbraw/zinc/95/49/54/822954954.db2.gz OCIQMLPMVZANPH-OAQYLSRUSA-N 1 0 394.519 4.274 20 0 GIADRO C[NH+]1CCC([C@H]2CCN(C(=O)c3cc(-c4ccc5ccccc5c4)n[nH]3)C2)CC1 ZINC000569687438 822955497 /nfs/dbraw/zinc/95/54/97/822955497.db2.gz UESGYGJPOAHYTB-NRFANRHFSA-N 1 0 388.515 4.034 20 0 GIADRO CC[C@@H](C(=O)Nc1ccc(NC[C@@H]2CCCO2)c(F)c1)[N@H+](C)Cc1ccccc1 ZINC000569703307 822956814 /nfs/dbraw/zinc/95/68/14/822956814.db2.gz SEBVKZGFAXWSHL-UGKGYDQZSA-N 1 0 399.510 4.266 20 0 GIADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Cc1csc(-c2ccccc2Cl)n1 ZINC000055403349 822957797 /nfs/dbraw/zinc/95/77/97/822957797.db2.gz LLUPBKKBFCXFHE-HUUCEWRRSA-N 1 0 391.968 4.243 20 0 GIADRO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000055400992 822957868 /nfs/dbraw/zinc/95/78/68/822957868.db2.gz OGVLKLKRTKCSKK-QWHCGFSZSA-N 1 0 393.890 4.293 20 0 GIADRO Cc1nc(CNC(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)sc1C ZINC000175394556 822957923 /nfs/dbraw/zinc/95/79/23/822957923.db2.gz HCQVUETZOPPOPU-HNNXBMFYSA-N 1 0 386.565 4.134 20 0 GIADRO O=C(CC[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1)NC(c1ccccc1)c1ccccc1 ZINC000569719387 822958555 /nfs/dbraw/zinc/95/85/55/822958555.db2.gz FGPOGPDEGJGKSH-PKTZIBPZSA-N 1 0 392.543 4.173 20 0 GIADRO O=C(N1Cc2cccc(F)c2C1)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000458115984 822959743 /nfs/dbraw/zinc/95/97/43/822959743.db2.gz WNUMQGCGYZQJPO-FQEVSTJZSA-N 1 0 392.396 4.123 20 0 GIADRO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CCSC2(CCOCC2)C1 ZINC000186816624 822960227 /nfs/dbraw/zinc/96/02/27/822960227.db2.gz ADZGNRYUNHZUEL-GOSISDBHSA-N 1 0 396.556 4.279 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N1CC(COc2ccccc2)C1 ZINC000569735923 822960909 /nfs/dbraw/zinc/96/09/09/822960909.db2.gz MBIILICRABXDGX-UHFFFAOYSA-N 1 0 393.531 4.258 20 0 GIADRO CC(C)(C)NC(=O)CC[NH2+][C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000569735888 822960918 /nfs/dbraw/zinc/96/09/18/822960918.db2.gz LNCXZYVYQRRRTO-MRXNPFEDSA-N 1 0 392.341 4.202 20 0 GIADRO CN1C(=O)CCc2cc(C[NH+]3CCC(c4nc5ccccc5o4)CC3)ccc21 ZINC000186819970 822961134 /nfs/dbraw/zinc/96/11/34/822961134.db2.gz BADBLKDXCGJAFO-UHFFFAOYSA-N 1 0 375.472 4.116 20 0 GIADRO CCOc1c(OC)cc(CN2C[C@H]3CCC[N@@H+]3Cc3ccccc32)cc1OC ZINC000569750527 822963393 /nfs/dbraw/zinc/96/33/93/822963393.db2.gz DHOMQUHLYDRZRG-LJQANCHMSA-N 1 0 382.504 4.087 20 0 GIADRO CC(C)c1c(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)cnn1-c1ccc(Cl)cc1 ZINC000458161601 822963877 /nfs/dbraw/zinc/96/38/77/822963877.db2.gz HPBZBJASNYSQJI-INIZCTEOSA-N 1 0 388.943 4.111 20 0 GIADRO C[N@@H+]1CCC[C@@H](CCNC(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)C1 ZINC000458164638 822964105 /nfs/dbraw/zinc/96/41/05/822964105.db2.gz KLQMRUWYHAOJRS-ZDUSSCGKSA-N 1 0 399.482 4.096 20 0 GIADRO CC(=O)N/C(=C\c1ccccc1)C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000055458905 822965959 /nfs/dbraw/zinc/96/59/59/822965959.db2.gz CCJXYHFZTKQYHN-PAJXCOJRSA-N 1 0 391.515 4.177 20 0 GIADRO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H](c1ccccc1)C(F)(F)F ZINC000186843732 822966187 /nfs/dbraw/zinc/96/61/87/822966187.db2.gz JCPHMPBGWNNJBL-UXPWSPDFSA-N 1 0 377.454 4.228 20 0 GIADRO C[NH+](C)[C@H]1CCOc2c(NCc3ccc(Oc4cnccn4)cc3)cccc21 ZINC000569772122 822966832 /nfs/dbraw/zinc/96/68/32/822966832.db2.gz QMJCPCWIWLKZDX-FQEVSTJZSA-N 1 0 376.460 4.266 20 0 GIADRO COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H](c2ccccc2)C(F)(F)F)cc1 ZINC000186849911 822967522 /nfs/dbraw/zinc/96/75/22/822967522.db2.gz YMRAKISVJABHDY-KSSFIOAISA-N 1 0 380.410 4.348 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000055472643 822967742 /nfs/dbraw/zinc/96/77/42/822967742.db2.gz ATGUHKDJPZRXOF-UHFFFAOYSA-N 1 0 388.515 4.015 20 0 GIADRO O=C(Nc1ccc(Cl)c(OC(F)F)c1)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000569791539 822969698 /nfs/dbraw/zinc/96/96/98/822969698.db2.gz OYTADAWIOAACPY-WFASDCNBSA-N 1 0 387.858 4.327 20 0 GIADRO C[C@H](Oc1ccccc1NC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1)C(F)(F)F ZINC000569792074 822969767 /nfs/dbraw/zinc/96/97/67/822969767.db2.gz WEQASQXUGZWXLE-YQQAZPJKSA-N 1 0 399.457 4.402 20 0 GIADRO Cc1cc(NC(=O)c2ccc([C@H]3CCCOC3)cc2)ccc1OCC[NH+](C)C ZINC000458215720 822969957 /nfs/dbraw/zinc/96/99/57/822969957.db2.gz PJDIONBDJFQXNC-FQEVSTJZSA-N 1 0 382.504 4.082 20 0 GIADRO C[N@@H+]1CCC[C@H](CCNC(=O)c2sc3ccccc3c2Br)C1 ZINC000458221347 822970437 /nfs/dbraw/zinc/97/04/37/822970437.db2.gz ZNEIXIOWOHXVDN-GFCCVEGCSA-N 1 0 381.339 4.126 20 0 GIADRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2sc3ccccc3c2Br)C1 ZINC000458221348 822970456 /nfs/dbraw/zinc/97/04/56/822970456.db2.gz ZNEIXIOWOHXVDN-LBPRGKRZSA-N 1 0 381.339 4.126 20 0 GIADRO C[NH+](C)Cc1cccc(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCOC2)c1 ZINC000186864325 822970694 /nfs/dbraw/zinc/97/06/94/822970694.db2.gz FKYFYRMXVSTLTR-MRXNPFEDSA-N 1 0 388.895 4.069 20 0 GIADRO C[C@H](NC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1cncc(F)c1 ZINC000569804462 822971171 /nfs/dbraw/zinc/97/11/71/822971171.db2.gz BUGHVDIYKKXLJI-IFXJQAMLSA-N 1 0 390.890 4.071 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)c2c(F)ccc(F)c2F)CC[N@@H+]1Cc1ccccc1 ZINC000186869167 822971435 /nfs/dbraw/zinc/97/14/35/822971435.db2.gz NZQLODQNDJXTMC-GDBMZVCRSA-N 1 0 376.422 4.229 20 0 GIADRO CS(=O)(=O)CCCCC[NH2+][C@@H]1CCCc2cc(SC(F)F)ccc21 ZINC000186870401 822971624 /nfs/dbraw/zinc/97/16/24/822971624.db2.gz ARNDYDOXZDMEOR-MRXNPFEDSA-N 1 0 377.522 4.183 20 0 GIADRO COc1ccc(-c2cncc(C(=O)N(CC[NH+](C)C)Cc3ccsc3)c2)cc1 ZINC000458233556 822971848 /nfs/dbraw/zinc/97/18/48/822971848.db2.gz XZEJLKQGZVZGLU-UHFFFAOYSA-N 1 0 395.528 4.023 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)CC(Cc2ccccc2)Cc2ccccc2)C1 ZINC000175452089 822972332 /nfs/dbraw/zinc/97/23/32/822972332.db2.gz BLXSZLUHBHKZFU-QHCPKHFHSA-N 1 0 378.560 4.278 20 0 GIADRO CCC[C@H](Cc1ccccc1)NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458246680 822973531 /nfs/dbraw/zinc/97/35/31/822973531.db2.gz HDPCYVKYFWVLTG-GOSISDBHSA-N 1 0 399.501 4.456 20 0 GIADRO CCn1cc(C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)c(=O)c2cc(Cl)ccc21 ZINC000458260350 822974796 /nfs/dbraw/zinc/97/47/96/822974796.db2.gz HPYSPBBKOHUDMS-UHFFFAOYSA-N 1 0 397.906 4.297 20 0 GIADRO COc1ccc(-c2cnc(CCC(=O)Nc3ccc(C[NH+](C)C)c(C)c3)o2)cc1 ZINC000458269052 822975995 /nfs/dbraw/zinc/97/59/95/822975995.db2.gz GRRLPUTZIRVICE-UHFFFAOYSA-N 1 0 393.487 4.292 20 0 GIADRO CC(C)[C@@H](CNC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C)c1cccnc1 ZINC000175467771 822976149 /nfs/dbraw/zinc/97/61/49/822976149.db2.gz LCFUJZXMXYHTJE-NZQKXSOJSA-N 1 0 394.563 4.127 20 0 GIADRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)C/C=C/c1ccccc1F)c1ccccc1O2 ZINC000175468216 822976445 /nfs/dbraw/zinc/97/64/45/822976445.db2.gz IDUFKUXOFBSJKD-PVHVJQTOSA-N 1 0 394.490 4.333 20 0 GIADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1csc(Br)c1)Cc1ccncc1 ZINC000569855616 822976613 /nfs/dbraw/zinc/97/66/13/822976613.db2.gz ATJIQHCNCMJLPG-QGZVFWFLSA-N 1 0 394.382 4.392 20 0 GIADRO C[C@@H](CC(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1)c1c[nH]c2ccccc21 ZINC000458281098 822977574 /nfs/dbraw/zinc/97/75/74/822977574.db2.gz HIOKFXBKOBVYER-HNNXBMFYSA-N 1 0 383.467 4.380 20 0 GIADRO COCCSc1ccc([C@@H](C)NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000569863315 822977704 /nfs/dbraw/zinc/97/77/04/822977704.db2.gz GDWNCJHSPABGCU-NQIIRXRSSA-N 1 0 398.572 4.124 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](c1ccco1)N1CCCC1)c1ncc(Br)cc1F ZINC000186914893 822979381 /nfs/dbraw/zinc/97/93/81/822979381.db2.gz GIGSFMDUCHXLHC-DOMZBBRYSA-N 1 0 382.277 4.064 20 0 GIADRO Cn1cc(C[N@@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)c(-c2ccccc2)n1 ZINC000569888706 822980954 /nfs/dbraw/zinc/98/09/54/822980954.db2.gz KLNQVWMRPGYSIU-HXUWFJFHSA-N 1 0 398.514 4.252 20 0 GIADRO O=C(Nc1cccc(Cl)c1F)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000569891825 822981612 /nfs/dbraw/zinc/98/16/12/822981612.db2.gz QUUXPTPAXVPVIB-DLBZAZTESA-N 1 0 387.886 4.465 20 0 GIADRO O=C(CC[NH+]1CCC(c2ccsc2)CC1)Nc1ccc(N2CCCC2=O)cc1 ZINC000186937103 822983690 /nfs/dbraw/zinc/98/36/90/822983690.db2.gz POKFOBYCZFEQLX-UHFFFAOYSA-N 1 0 397.544 4.083 20 0 GIADRO O=C(NC12CCC(C(F)(F)F)(CC1)CC2)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000569905804 822984148 /nfs/dbraw/zinc/98/41/48/822984148.db2.gz VTMUWAOOSVVKOH-KKXNLOMOSA-N 1 0 395.469 4.065 20 0 GIADRO COc1ccccc1-c1ccc([C@H](C)NC(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000569911548 822984901 /nfs/dbraw/zinc/98/49/01/822984901.db2.gz QTXWMYVELLEMHF-QKLQHJQFSA-N 1 0 381.520 4.111 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCc3c2cc(F)cc3F)[C@@H]1c1cccs1 ZINC000175505960 822985576 /nfs/dbraw/zinc/98/55/76/822985576.db2.gz WFBLYVZZVBEIBG-ORAYPTAESA-N 1 0 391.487 4.182 20 0 GIADRO Fc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H]2C[C@H]3OCCC[C@H]23)cc1 ZINC000186952641 822985952 /nfs/dbraw/zinc/98/59/52/822985952.db2.gz MOGWAWYZWRTTFU-YPAWHYETSA-N 1 0 377.463 4.336 20 0 GIADRO CCCO[C@@H]1CCCN(C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1 ZINC000175508948 822986495 /nfs/dbraw/zinc/98/64/95/822986495.db2.gz ZUXYDSUJOKSNCO-GGPKGHCWSA-N 1 0 393.597 4.122 20 0 GIADRO C[C@H](CCc1ccccc1)NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000175509732 822986860 /nfs/dbraw/zinc/98/68/60/822986860.db2.gz JTUJDSKTZOGXEZ-HXUWFJFHSA-N 1 0 379.548 4.314 20 0 GIADRO CCc1nocc1CN(C)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000458363505 822987302 /nfs/dbraw/zinc/98/73/02/822987302.db2.gz CZZRAVNUPUQPPQ-QGZVFWFLSA-N 1 0 384.524 4.042 20 0 GIADRO C[C@@H]([NH2+]C(C)(C)CNC(=O)NCc1cccc(C(F)(F)F)n1)c1ccccc1 ZINC000458369001 822988033 /nfs/dbraw/zinc/98/80/33/822988033.db2.gz JFVQJSJDHBMBFQ-CQSZACIVSA-N 1 0 394.441 4.029 20 0 GIADRO C[C@H](N[C@H]1CCN([C@@H](C)c2ccc(F)cc2)C1=O)c1ncc(-c2ccccc2)o1 ZINC000569944825 822988373 /nfs/dbraw/zinc/98/83/73/822988373.db2.gz HGNYCBNFYVIYGS-FTRWYGJKSA-N 1 0 393.462 4.493 20 0 GIADRO CC[NH+](CC)CCOc1ccc(-c2noc(C3(F)CCCC3)n2)cc1OC ZINC000569962867 822990504 /nfs/dbraw/zinc/99/05/04/822990504.db2.gz DIFYVJHFPKDVRX-UHFFFAOYSA-N 1 0 377.460 4.205 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCCC[C@H]2c2cccn2C)CC1 ZINC000175524093 822990570 /nfs/dbraw/zinc/99/05/70/822990570.db2.gz KMHVUDMFLUPAEE-XXBNENTESA-N 1 0 394.563 4.487 20 0 GIADRO COc1ccccc1CC(=O)N1CCC([NH2+][C@H]2C[C@H](C)c3ccccc32)CC1 ZINC000569964699 822990689 /nfs/dbraw/zinc/99/06/89/822990689.db2.gz OEUYCUGSPGPFES-JTSKRJEESA-N 1 0 378.516 4.067 20 0 GIADRO CCOC(=O)[C@@]1(CCS[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCCC1=O ZINC000569971045 822991524 /nfs/dbraw/zinc/99/15/24/822991524.db2.gz CHYKBMCYPBJIRF-SIKLNZKXSA-N 1 0 389.561 4.077 20 0 GIADRO C[C@H](NC(=O)N1CCC(OCCC[NH+](C)C)CC1)c1cccc2ccccc21 ZINC000175538421 822993213 /nfs/dbraw/zinc/99/32/13/822993213.db2.gz LBCUBIYNWUQTPN-SFHVURJKSA-N 1 0 383.536 4.043 20 0 GIADRO COc1cc(C[N@@H+]2CC[C@H](COC(F)F)C2)ccc1OCc1ccc(F)cc1 ZINC000569982884 822993274 /nfs/dbraw/zinc/99/32/74/822993274.db2.gz IOWJZXYYNKPTTI-KRWDZBQOSA-N 1 0 395.421 4.474 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000569982689 822993381 /nfs/dbraw/zinc/99/33/81/822993381.db2.gz QTOBUWHQGKJLFR-YJSIEXFISA-N 1 0 393.531 4.041 20 0 GIADRO COc1ccccc1[C@@H]1CCN(C(=O)N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)C1 ZINC000569998881 822994937 /nfs/dbraw/zinc/99/49/37/822994937.db2.gz IQTQSVZBLZIYCE-PWHSHALESA-N 1 0 395.547 4.194 20 0 GIADRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1 ZINC000570011777 822996732 /nfs/dbraw/zinc/99/67/32/822996732.db2.gz NVFNAMVIPWQSHL-OAHLLOKOSA-N 1 0 390.915 4.164 20 0 GIADRO CCCCCOc1ccc([C@@H](C)[NH2+][C@H](C)C2CCS(=O)(=O)CC2)cc1OC ZINC000187016521 822998116 /nfs/dbraw/zinc/99/81/16/822998116.db2.gz JPTRCCXENSUECX-IAGOWNOFSA-N 1 0 397.581 4.128 20 0 GIADRO Cc1nc(-c2cccc(NC(=O)N[C@H]3CC[N@H+](CC4CCCC4)C3)c2)oc1C ZINC000175569930 822999607 /nfs/dbraw/zinc/99/96/07/822999607.db2.gz ZLCYHCNCCNQQLL-FQEVSTJZSA-N 1 0 382.508 4.344 20 0 GIADRO CCOCCC[N@@H+]1CC[C@@H](NCc2coc(-c3cccc(Cl)c3)n2)[C@H](C)C1 ZINC000187024871 822999810 /nfs/dbraw/zinc/99/98/10/822999810.db2.gz ZYPSIGJFIHBOGC-OXQOHEQNSA-N 1 0 391.943 4.222 20 0 GIADRO CCCOc1ccc(-c2nc(C(=O)N3CC4(C[C@@H]3C)CC[NH2+]CC4)cs2)cc1 ZINC000570036424 822999845 /nfs/dbraw/zinc/99/98/45/822999845.db2.gz RQMUXNGRBUGCCB-INIZCTEOSA-N 1 0 399.560 4.203 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(Oc2ccccc2)c(F)c1)C1CCS(=O)(=O)CC1 ZINC000187031555 823001059 /nfs/dbraw/zinc/00/10/59/823001059.db2.gz FKWGHCDYHCJFFZ-CVEARBPZSA-N 1 0 391.508 4.482 20 0 GIADRO C[N@@H+]1CC[C@H](NC(=O)NC[C@@H](c2ccccc2)C(F)(F)F)[C@@H]1c1ccccc1 ZINC000187033117 823001202 /nfs/dbraw/zinc/00/12/02/823001202.db2.gz VYDNJUMVKDHPBD-FHWLQOOXSA-N 1 0 391.437 4.077 20 0 GIADRO CC(C)OCC[NH+]1CCC(NC(=O)Nc2ccccc2SC(F)F)CC1 ZINC000175586584 823002556 /nfs/dbraw/zinc/00/25/56/823002556.db2.gz QQWHDXBWXIPGOI-UHFFFAOYSA-N 1 0 387.496 4.012 20 0 GIADRO Cc1ccc([C@@H]([NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)C2CCC2)cc1 ZINC000187047066 823003454 /nfs/dbraw/zinc/00/34/54/823003454.db2.gz XZCUKVLTJMJOQB-VGSWGCGISA-N 1 0 386.561 4.437 20 0 GIADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N[C@H]1CCc2ccc(-c3ccccc3)cc21 ZINC000187049006 823003742 /nfs/dbraw/zinc/00/37/42/823003742.db2.gz VAGZCXSWILAXTG-SBUREZEXSA-N 1 0 375.516 4.124 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2c[nH]nc2-c2ccsc2)CC1 ZINC000187055337 823004514 /nfs/dbraw/zinc/00/45/14/823004514.db2.gz LLHDLEMBGOWLIH-OAHLLOKOSA-N 1 0 380.517 4.094 20 0 GIADRO C[C@H](COc1ccc(F)cc1F)[NH2+][C@H](C)c1ncc(Br)cc1F ZINC000187055361 823004607 /nfs/dbraw/zinc/00/46/07/823004607.db2.gz ZUWJLCZEFZCCNU-NXEZZACHSA-N 1 0 389.215 4.380 20 0 GIADRO C[C@H]1C[C@@H](NC(=O)c2ccccc2CSc2nc3ccccc3[nH]2)CC[N@@H+]1C ZINC000570094466 823005399 /nfs/dbraw/zinc/00/53/99/823005399.db2.gz AFQRQPWZJQKIGH-RDJZCZTQSA-N 1 0 394.544 4.068 20 0 GIADRO CC1CC[NH+](Cc2cccc(CNC(=O)CCc3ncc(C(C)(C)C)o3)c2)CC1 ZINC000187061486 823005366 /nfs/dbraw/zinc/00/53/66/823005366.db2.gz CHYFOKWJXGVROM-UHFFFAOYSA-N 1 0 397.563 4.453 20 0 GIADRO COc1ccc(-n2c(C[N@@H+]3CCC[C@H]3[C@@H]3CCCO3)nc3ccccc32)cc1 ZINC000570112537 823006695 /nfs/dbraw/zinc/00/66/95/823006695.db2.gz PUEXKLVQCMPERU-VXKWHMMOSA-N 1 0 377.488 4.178 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)NC[C@H](c2ccc(CC(C)C)cc2)[NH+](C)C)c1 ZINC000570116435 823007116 /nfs/dbraw/zinc/00/71/16/823007116.db2.gz XHYKHOAGAXMFFC-JOCHJYFZSA-N 1 0 396.535 4.268 20 0 GIADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCc2coc(-c3ccccc3)n2)C1 ZINC000175617905 823007439 /nfs/dbraw/zinc/00/74/39/823007439.db2.gz GHTXTRMFRBUPOY-OALUTQOASA-N 1 0 396.535 4.138 20 0 GIADRO COc1ccc([C@@H](CNC(=O)N([C@H](C)c2ccco2)C2CC2)[NH+]2CCCC2)cc1 ZINC000175620412 823007954 /nfs/dbraw/zinc/00/79/54/823007954.db2.gz JNNRHZDQFQANCD-DYESRHJHSA-N 1 0 397.519 4.360 20 0 GIADRO CC(C)(C)OC(=O)c1ccc(C[NH2+]Cc2ccccc2Cn2ccnc2)cc1 ZINC000570128905 823008430 /nfs/dbraw/zinc/00/84/30/823008430.db2.gz QHVZEFQWZCNXOG-UHFFFAOYSA-N 1 0 377.488 4.177 20 0 GIADRO COc1cc(NC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)ccc1F ZINC000187090156 823009435 /nfs/dbraw/zinc/00/94/35/823009435.db2.gz SHVREBJRQLYKFD-UHFFFAOYSA-N 1 0 391.874 4.274 20 0 GIADRO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+]1CCC[C@@](CO)(C(C)C)C1 ZINC000570145574 823010161 /nfs/dbraw/zinc/01/01/61/823010161.db2.gz BXGKXCUXOHFKCT-JOCHJYFZSA-N 1 0 389.971 4.432 20 0 GIADRO CC1(C)C[C@@H](c2ccccc2)N(C(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)C1 ZINC000570156778 823011026 /nfs/dbraw/zinc/01/10/26/823011026.db2.gz LFXHYPJJHSJVKX-YADHBBJMSA-N 1 0 377.532 4.293 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)N2CCCC[C@@H]2c2cccn2C)CC[N@@H+]1Cc1ccccc1 ZINC000175639194 823011171 /nfs/dbraw/zinc/01/11/71/823011171.db2.gz JTVZFSPHLHGEOC-UNWVZKJWSA-N 1 0 394.563 4.315 20 0 GIADRO CC[C@H](c1ccncc1)N(C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000175642381 823011609 /nfs/dbraw/zinc/01/16/09/823011609.db2.gz YHKWOZMPBIYVPJ-BVYCBKJFSA-N 1 0 380.536 4.227 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)Nc2cccc(NC(=O)OCC(C)C)c2)CC1 ZINC000175644039 823011824 /nfs/dbraw/zinc/01/18/24/823011824.db2.gz GRZHWLYJRUNLBT-UHFFFAOYSA-N 1 0 390.528 4.135 20 0 GIADRO CC(C)COC(=O)Nc1cccc(NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000175644353 823012021 /nfs/dbraw/zinc/01/20/21/823012021.db2.gz JUNPEHIPJKMNAO-LJQANCHMSA-N 1 0 390.528 4.229 20 0 GIADRO C[C@H]1C[C@@H](NC(=O)N2CCC(OC3CCCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000175645689 823012190 /nfs/dbraw/zinc/01/21/90/823012190.db2.gz BBDHNQVWROHJBZ-FPOVZHCZSA-N 1 0 399.579 4.173 20 0 GIADRO Cc1ccc(NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1NC(=O)C(C)(C)C ZINC000570172936 823012333 /nfs/dbraw/zinc/01/23/33/823012333.db2.gz BCXJTUZWBYUENX-LJQANCHMSA-N 1 0 393.531 4.440 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)CCc2ncc(C(C)(C)C)o2)CC[N@@H+]1Cc1ccccc1 ZINC000187113776 823012472 /nfs/dbraw/zinc/01/24/72/823012472.db2.gz URLUNFYLVALVFL-AZUAARDMSA-N 1 0 397.563 4.416 20 0 GIADRO CCOC(=O)[C@H](NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC000570190944 823013613 /nfs/dbraw/zinc/01/36/13/823013613.db2.gz XVWZPDQHIQYBJJ-WMZHIEFXSA-N 1 0 380.532 4.313 20 0 GIADRO CCCCOc1ccc(C[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)cc1OC ZINC000187123194 823013940 /nfs/dbraw/zinc/01/39/40/823013940.db2.gz FCDVFGYBZHZQDF-UHFFFAOYSA-N 1 0 382.504 4.073 20 0 GIADRO C[NH+](C)CCN(Cc1cccs1)C(=O)Cc1c[nH]c2cc(Cl)ccc12 ZINC000175657037 823014222 /nfs/dbraw/zinc/01/42/22/823014222.db2.gz YZTCPDRSZLVFLK-UHFFFAOYSA-N 1 0 375.925 4.016 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)N1CC2(CCCC2)c2ccccc21 ZINC000175658230 823014327 /nfs/dbraw/zinc/01/43/27/823014327.db2.gz DQJILGCABAMBRM-UHFFFAOYSA-N 1 0 390.531 4.088 20 0 GIADRO Cc1ccc([C@H](C[NH2+][C@@H](C)c2ncc(Br)cc2F)N2CCCC2)o1 ZINC000187132953 823015506 /nfs/dbraw/zinc/01/55/06/823015506.db2.gz IDHXALRXTWKHAG-BBRMVZONSA-N 1 0 396.304 4.372 20 0 GIADRO CCOc1c(Cl)cc(C(=O)N(CC[NH+](C)C)Cc2cccs2)cc1OC ZINC000175664374 823015551 /nfs/dbraw/zinc/01/55/51/823015551.db2.gz VCQHOSQWSCAMOB-UHFFFAOYSA-N 1 0 396.940 4.013 20 0 GIADRO CCC[C@H]([NH2+][C@H](C)C1CCS(=O)(=O)CC1)c1cccc(C(F)(F)F)c1 ZINC000187141909 823016874 /nfs/dbraw/zinc/01/68/74/823016874.db2.gz WXSJMWHUTKYQOI-DYVFJYSZSA-N 1 0 377.472 4.350 20 0 GIADRO COc1ccccc1-c1noc(C2CC[NH+](Cc3ccc4[nH]cnc4c3)CC2)n1 ZINC000570235627 823017600 /nfs/dbraw/zinc/01/76/00/823017600.db2.gz LIEAYIJJWBTJGF-UHFFFAOYSA-N 1 0 389.459 4.001 20 0 GIADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H]2CCSc3cc(C)c(C)cc32)c1 ZINC000187148819 823017709 /nfs/dbraw/zinc/01/77/09/823017709.db2.gz LZIPJGIWYRVFMN-KXBFYZLASA-N 1 0 390.574 4.099 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCc1ncc(C(C)(C)C)o1 ZINC000187156939 823018733 /nfs/dbraw/zinc/01/87/33/823018733.db2.gz KEDMJPKJHYJBDA-HXUWFJFHSA-N 1 0 397.563 4.275 20 0 GIADRO CCc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H]2CCc3nc[nH]c3C2)cc1 ZINC000570250285 823019128 /nfs/dbraw/zinc/01/91/28/823019128.db2.gz NSVFJJKPWOBVMB-OAQYLSRUSA-N 1 0 397.526 4.472 20 0 GIADRO CC[C@H]([NH2+][C@H]1CCN(c2ncccc2F)C1)c1cccc(Br)c1 ZINC000570260217 823020495 /nfs/dbraw/zinc/02/04/95/823020495.db2.gz NCNSSHCVXQRTRZ-RDJZCZTQSA-N 1 0 378.289 4.303 20 0 GIADRO C[C@H](CCNC(=O)Nc1cccc(NC(=O)C2CC2)c1)[N@H+](C)Cc1ccccc1 ZINC000175694435 823022060 /nfs/dbraw/zinc/02/20/60/823022060.db2.gz YWYOVHSNTPSQNR-QGZVFWFLSA-N 1 0 394.519 4.067 20 0 GIADRO Cc1oc(-c2cccs2)nc1CC(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000187186120 823022334 /nfs/dbraw/zinc/02/23/34/823022334.db2.gz UNGBTLGYSBMCMQ-VBKZILBWSA-N 1 0 383.517 4.062 20 0 GIADRO CC(C)c1ccc(C2(C[NH2+][C@H](C)C3CCS(=O)(=O)CC3)CCCC2)cc1 ZINC000187186991 823022506 /nfs/dbraw/zinc/02/25/06/823022506.db2.gz FGWOWICMFKEINU-GOSISDBHSA-N 1 0 377.594 4.425 20 0 GIADRO Cc1ccc(C(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)c(Br)c1 ZINC000187190122 823022839 /nfs/dbraw/zinc/02/28/39/823022839.db2.gz PWEDFRYJMFTQFF-KDOFPFPSSA-N 1 0 375.310 4.179 20 0 GIADRO C/C=C/c1ccc(OC[C@@H](O)C[NH2+]Cc2cc3ccccc3s2)c(OC)c1 ZINC000570303403 823024014 /nfs/dbraw/zinc/02/40/14/823024014.db2.gz WILHNJKEKLMKEC-PXPSOEEZSA-N 1 0 383.513 4.473 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1)C(=O)N1CCc2sccc2C1 ZINC000175704828 823024110 /nfs/dbraw/zinc/02/41/10/823024110.db2.gz AJLGNWFCGCCUQU-STQMWFEESA-N 1 0 398.450 4.271 20 0 GIADRO CSc1ccc([C@H](CNC(=O)c2ccc(Cl)c(N)c2Cl)[NH+](C)C)cc1 ZINC000570311391 823024547 /nfs/dbraw/zinc/02/45/47/823024547.db2.gz SYVUSDOJLQIEAV-HNNXBMFYSA-N 1 0 398.359 4.330 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1)C(=O)Nc1cccnc1Cl ZINC000175709466 823024939 /nfs/dbraw/zinc/02/49/39/823024939.db2.gz RUQGOGJQCCAYKH-WDEREUQCSA-N 1 0 387.789 4.311 20 0 GIADRO CC[C@@H](C(=O)Nc1cccc(C(=O)N(CC)CC)c1)[N@H+](C)Cc1ccccc1 ZINC000570321562 823025762 /nfs/dbraw/zinc/02/57/62/823025762.db2.gz LTXZSTGZKPGBAR-NRFANRHFSA-N 1 0 381.520 4.018 20 0 GIADRO CC(C)Oc1ccc([C@@H](O)C[NH2+][C@H](C)c2ncc(Br)cc2F)cc1 ZINC000187215798 823026219 /nfs/dbraw/zinc/02/62/19/823026219.db2.gz VLQFFMHHPGLILX-PXAZEXFGSA-N 1 0 397.288 4.155 20 0 GIADRO C[C@H](C[NH+]1CCCCCC1)NC(=O)Nc1cccc(C[S@](=O)C(C)(C)C)c1 ZINC000187217817 823026531 /nfs/dbraw/zinc/02/65/31/823026531.db2.gz XKKDIBFFKWXMTR-CRYYWNKWSA-N 1 0 393.597 4.120 20 0 GIADRO CCOc1ccc(Oc2ccc(NC(=O)[C@]3([NH3+])C[C@H](OCC)C3(C)C)cc2)cc1 ZINC000187224133 823027213 /nfs/dbraw/zinc/02/72/13/823027213.db2.gz VRYFFOQBCMXBGE-NZQKXSOJSA-N 1 0 398.503 4.349 20 0 GIADRO CCOc1ccc(Oc2ccc(NC(=O)[C@@]3([NH3+])C[C@H](OCC)C3(C)C)cc2)cc1 ZINC000187224149 823027328 /nfs/dbraw/zinc/02/73/28/823027328.db2.gz VRYFFOQBCMXBGE-REWPJTCUSA-N 1 0 398.503 4.349 20 0 GIADRO C[C@@H](NC(=O)CCc1ccc(OC(F)F)cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000187226895 823027649 /nfs/dbraw/zinc/02/76/49/823027649.db2.gz JGLRCVBZFZRZPZ-FOIQADDNSA-N 1 0 376.447 4.028 20 0 GIADRO CC[NH+](CC)[C@@H](C(=O)Nc1cc(Cl)c(OC)cc1OC)c1ccccc1 ZINC000175728492 823027805 /nfs/dbraw/zinc/02/78/05/823027805.db2.gz MDVGHRMRCFMUAF-LJQANCHMSA-N 1 0 376.884 4.379 20 0 GIADRO CC[NH+](CC)[C@H](C(=O)Nc1cc(Cl)c(OC)cc1OC)c1ccccc1 ZINC000175728478 823027863 /nfs/dbraw/zinc/02/78/63/823027863.db2.gz MDVGHRMRCFMUAF-IBGZPJMESA-N 1 0 376.884 4.379 20 0 GIADRO Cc1cccc(C(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)c1Br ZINC000187233136 823028509 /nfs/dbraw/zinc/02/85/09/823028509.db2.gz LIZVXXOWURBAQC-KDOFPFPSSA-N 1 0 375.310 4.179 20 0 GIADRO C[NH+](C)C[C@H](NC(=O)CCc1cc(Br)cs1)c1ccc(F)cc1 ZINC000570356963 823028530 /nfs/dbraw/zinc/02/85/30/823028530.db2.gz AKOBPLNCDAISRT-INIZCTEOSA-N 1 0 399.329 4.001 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccccc2N(C)Cc2ccccc2)CC[N@@H+]1C ZINC000175733342 823028775 /nfs/dbraw/zinc/02/87/75/823028775.db2.gz DYLBOVNVBPGXDW-ICSRJNTNSA-N 1 0 380.536 4.269 20 0 GIADRO C[C@H](NC(=O)c1cccc(OCc2cccnc2)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000187239678 823029222 /nfs/dbraw/zinc/02/92/22/823029222.db2.gz IBTUONHRISLPGQ-FDDCHVKYSA-N 1 0 389.499 4.082 20 0 GIADRO O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CCO[C@H](CCc2ccccc2)C1 ZINC000570366926 823029752 /nfs/dbraw/zinc/02/97/52/823029752.db2.gz AAJYIRIXBAAMIU-XMMPIXPASA-N 1 0 392.543 4.146 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH2+]CCc1csc(N2CCCC2)n1 ZINC000187248987 823030393 /nfs/dbraw/zinc/03/03/93/823030393.db2.gz MYPWQJYZHBGMCY-UHFFFAOYSA-N 1 0 394.544 4.146 20 0 GIADRO O=C(Nc1cc(F)ccc1OCC1CC1)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000570380738 823031675 /nfs/dbraw/zinc/03/16/75/823031675.db2.gz BSZKYFOYJYMENF-LPHOPBHVSA-N 1 0 375.488 4.001 20 0 GIADRO C[C@H](NC(=O)c1ccc(Oc2cccnc2)cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000187259189 823031803 /nfs/dbraw/zinc/03/18/03/823031803.db2.gz BPYIUYLVXCEREB-JTSKRJEESA-N 1 0 375.472 4.295 20 0 GIADRO COc1ccc(O[C@H](C)C[NH2+][C@H](C)c2ncc(Br)cc2F)cc1 ZINC000187259237 823031879 /nfs/dbraw/zinc/03/18/79/823031879.db2.gz YFWYWDXBDQWKGD-VXGBXAGGSA-N 1 0 383.261 4.110 20 0 GIADRO CCCc1nc(C)c(C[NH2+]C2(c3cccc(Br)c3)CCOCC2)o1 ZINC000570383610 823031990 /nfs/dbraw/zinc/03/19/90/823031990.db2.gz SVWHEFHDIIBFDC-UHFFFAOYSA-N 1 0 393.325 4.494 20 0 GIADRO [NH3+][C@H]1CCC[C@H](CNC(=O)c2ccc(COc3ccc4ccccc4c3)o2)C1 ZINC000570390581 823032310 /nfs/dbraw/zinc/03/23/10/823032310.db2.gz FEGQRUDBNJMJGZ-LPHOPBHVSA-N 1 0 378.472 4.259 20 0 GIADRO C[C@H](NC(=O)CCCc1nc2ccccc2s1)[C@@H](c1ccccc1)[NH+](C)C ZINC000187263464 823032609 /nfs/dbraw/zinc/03/26/09/823032609.db2.gz WWOSKAVNUWHJFP-AOMKIAJQSA-N 1 0 381.545 4.427 20 0 GIADRO [NH3+]CC[C@H]1CCCN(C(=O)c2ccc(-c3ccc(Br)s3)s2)C1 ZINC000570396390 823032972 /nfs/dbraw/zinc/03/29/72/823032972.db2.gz NKCVRYDAXAFYBY-LLVKDONJSA-N 1 0 399.379 4.440 20 0 GIADRO C[C@@H](NC(=O)Cc1csc(-c2cccs2)n1)[C@H](c1ccccc1)[NH+](C)C ZINC000187267995 823033581 /nfs/dbraw/zinc/03/35/81/823033581.db2.gz FQVOHQWUPXBIRE-AUUYWEPGSA-N 1 0 385.558 4.222 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@H]2C[C@H](c3ccccc3Cl)C2)ccc1S(C)(=O)=O ZINC000570417379 823035013 /nfs/dbraw/zinc/03/50/13/823035013.db2.gz ZNBYPZJVQFKVRR-FVQBIDKESA-N 1 0 393.936 4.349 20 0 GIADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)N[C@H](Cc3ccccc3)c3cccs3)C2)C1 ZINC000458390226 823035754 /nfs/dbraw/zinc/03/57/54/823035754.db2.gz GNCYCSBNMOHREJ-KNQAVFIVSA-N 1 0 383.561 4.159 20 0 GIADRO Cc1nc(C)c([C@@H](C)N(C)C(=O)NCC2CC[NH+](CCC(C)C)CC2)s1 ZINC000175769541 823035911 /nfs/dbraw/zinc/03/59/11/823035911.db2.gz QZQNZNWGDFXEBD-MRXNPFEDSA-N 1 0 380.602 4.220 20 0 GIADRO COCCOCc1ccc(C[NH2+][C@@H]2CCCN(c3ccccc3Cl)C2)cc1 ZINC000570429246 823036964 /nfs/dbraw/zinc/03/69/64/823036964.db2.gz KPJQPZFUWNMHJL-HXUWFJFHSA-N 1 0 388.939 4.262 20 0 GIADRO 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 823037177 /nfs/dbraw/zinc/03/71/77/823037177.db2.gz STTPRFPNBBBVIB-AHEZYBDSSA-N 1 0 383.458 4.138 20 0 GIADRO C[C@H]1CCC[C@@H](CCNC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000458424614 823038702 /nfs/dbraw/zinc/03/87/02/823038702.db2.gz VFKHEAKWOQMJJW-HOTGVXAUSA-N 1 0 377.495 4.261 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NC2CCC(C(F)F)CC2)CC1 ZINC000458431965 823039647 /nfs/dbraw/zinc/03/96/47/823039647.db2.gz YHHISEXLFBSPSW-FAEJEUNOSA-N 1 0 379.495 4.335 20 0 GIADRO Cc1ccc(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1NC(=O)Nc1ccccc1 ZINC000175796112 823042289 /nfs/dbraw/zinc/04/22/89/823042289.db2.gz QADTYCKZONKMFA-KRWDZBQOSA-N 1 0 396.535 4.345 20 0 GIADRO Cc1cccc(Oc2cc(CNC(=O)NCC[C@H]3CCC[N@@H+](C)C3)ccn2)c1C ZINC000458459462 823043119 /nfs/dbraw/zinc/04/31/19/823043119.db2.gz DIUGARPAGMRZES-LJQANCHMSA-N 1 0 396.535 4.022 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1c(F)cccc1Br ZINC000175799965 823043282 /nfs/dbraw/zinc/04/32/82/823043282.db2.gz JVGIIADPDZJPLD-UHFFFAOYSA-N 1 0 393.300 4.360 20 0 GIADRO COc1ccc(C(=O)Nc2cccc(C[NH2+]CC3(CCO)CCCCC3)c2)cc1 ZINC000175801172 823043497 /nfs/dbraw/zinc/04/34/97/823043497.db2.gz HOUFNVNGXFHUSU-UHFFFAOYSA-N 1 0 396.531 4.370 20 0 GIADRO CC[C@@H](C[NH2+]Cc1nccn1CC(F)(F)F)Oc1ccccc1C(F)(F)F ZINC000175804451 823044368 /nfs/dbraw/zinc/04/43/68/823044368.db2.gz JQBWFUMUFNGTCJ-LBPRGKRZSA-N 1 0 395.347 4.411 20 0 GIADRO O[C@@H](CC[NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)C(F)(F)F ZINC000570485865 823044457 /nfs/dbraw/zinc/04/44/57/823044457.db2.gz LRDANRAGVPIQBE-LBPRGKRZSA-N 1 0 384.345 4.232 20 0 GIADRO CCOc1ccc(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)cc1OCC ZINC000175806795 823044780 /nfs/dbraw/zinc/04/47/80/823044780.db2.gz IVUTTXLWRCLWDI-FQEVSTJZSA-N 1 0 377.525 4.034 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@@H]2CCN(C(=O)C3CCCCC3)C2)ccc1OC(F)F ZINC000123798962 823541722 /nfs/dbraw/zinc/54/17/22/823541722.db2.gz QBIZNPGPRCWKHN-WMLDXEAASA-N 1 0 396.478 4.128 20 0 GIADRO Cc1cccc(NC(=O)c2cccc(C[NH+]3CCCC3)c2)c1C(=O)N1CCCC1 ZINC000060553824 823541766 /nfs/dbraw/zinc/54/17/66/823541766.db2.gz IAHZHIYSJOZTQX-UHFFFAOYSA-N 1 0 391.515 4.079 20 0 GIADRO Cc1ccc([C@H](CNC(=O)c2ccc(NC(=O)CC(C)C)c(C)c2)[NH+](C)C)cc1 ZINC000460919156 823542056 /nfs/dbraw/zinc/54/20/56/823542056.db2.gz AXCNVGPCQKUBPF-QFIPXVFZSA-N 1 0 395.547 4.321 20 0 GIADRO COc1cc(C[N@H+](C)CC2(O)CCCCCC2)ccc1OCc1ccncc1 ZINC000190138763 823542233 /nfs/dbraw/zinc/54/22/33/823542233.db2.gz OPVZFZFTVWCHTB-UHFFFAOYSA-N 1 0 384.520 4.186 20 0 GIADRO CC[C@H]([NH2+]CCc1ccc(Cl)s1)c1ccccc1OCC(=O)N(C)C ZINC000177892830 823542545 /nfs/dbraw/zinc/54/25/45/823542545.db2.gz KHXLWEMEOVDCTR-INIZCTEOSA-N 1 0 380.941 4.152 20 0 GIADRO Cc1cc(C)c(CNC(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)c(C)c1 ZINC000060566153 823542958 /nfs/dbraw/zinc/54/29/58/823542958.db2.gz DTFBDFCQEAZVED-UHFFFAOYSA-N 1 0 389.490 4.163 20 0 GIADRO Nc1ccc(F)c(NC(=O)CC[N@@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccccc2)c1 ZINC000123816233 823543005 /nfs/dbraw/zinc/54/30/05/823543005.db2.gz IRHGEVKSSWWUOI-DENIHFKCSA-N 1 0 399.510 4.105 20 0 GIADRO CCCn1c(C)cc(/C=C(/C#N)C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)c1C ZINC000060566805 823543255 /nfs/dbraw/zinc/54/32/55/823543255.db2.gz KJSGWSZDLYISNI-OSVNEOKWSA-N 1 0 384.568 4.050 20 0 GIADRO C[N@@H+]1CC[C@H](CNC(=O)C2CCC(F)(F)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123825099 823543620 /nfs/dbraw/zinc/54/36/20/823543620.db2.gz YESVOQJAIQVROZ-PBHICJAKSA-N 1 0 388.861 4.414 20 0 GIADRO C[N@@H+]1CC[C@H](CNC(=O)/C=C/c2cccs2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123830392 823543806 /nfs/dbraw/zinc/54/38/06/823543806.db2.gz SZVYLNUAPHCSQI-DLNNWJJFSA-N 1 0 378.900 4.363 20 0 GIADRO CCN(CCC[NH+]1CCCC1)C(=O)NCc1sc(-c2ccccc2)nc1C ZINC000190157596 823544154 /nfs/dbraw/zinc/54/41/54/823544154.db2.gz BPZTVYPICNNYTK-UHFFFAOYSA-N 1 0 386.565 4.136 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)COc2ccc(Oc3ccccc3)cc2)CC1 ZINC000060579880 823544285 /nfs/dbraw/zinc/54/42/85/823544285.db2.gz GPSNSSDPFYIXJE-UHFFFAOYSA-N 1 0 396.531 4.437 20 0 GIADRO C[C@@H]([NH2+]Cc1cccnc1-n1cccn1)c1cc(Cl)ccc1OC(F)F ZINC000177906587 823544670 /nfs/dbraw/zinc/54/46/70/823544670.db2.gz JBCHYUFXOPFVMI-GFCCVEGCSA-N 1 0 378.810 4.373 20 0 GIADRO O=C([C@@H]1CCC(=O)c2cccn21)N(CCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000411100106 823545760 /nfs/dbraw/zinc/54/57/60/823545760.db2.gz ILCQQXASNCAYMA-FQEVSTJZSA-N 1 0 399.922 4.178 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H]2CCN(C(=O)C3CCCCC3)C2)cc1 ZINC000123855306 823546238 /nfs/dbraw/zinc/54/62/38/823546238.db2.gz NZRUBRNBMJVPAQ-UWJYYQICSA-N 1 0 380.536 4.013 20 0 GIADRO Cc1cc(C)cc([C@H](C)[NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)c1 ZINC000177919915 823546203 /nfs/dbraw/zinc/54/62/03/823546203.db2.gz SJDRCRAFVOSUAX-AQNXPRMDSA-N 1 0 380.532 4.404 20 0 GIADRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H]1CCSc2ccccc21 ZINC000460936605 823546327 /nfs/dbraw/zinc/54/63/27/823546327.db2.gz ZJJQBVOZVKVJNJ-VQIMIIECSA-N 1 0 386.586 4.356 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1)c1cc(F)cc(F)c1 ZINC000177922214 823546752 /nfs/dbraw/zinc/54/67/52/823546752.db2.gz ZWEHKWBLHHMBDO-JYJNAYRXSA-N 1 0 388.458 4.065 20 0 GIADRO CCc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)s1 ZINC000177923926 823546984 /nfs/dbraw/zinc/54/69/84/823546984.db2.gz CCIMTUWAFCHWEO-BBWFWOEESA-N 1 0 386.561 4.411 20 0 GIADRO CC(C)COc1ccccc1CNC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000060601628 823547079 /nfs/dbraw/zinc/54/70/79/823547079.db2.gz DRRRZTQKTNCURC-UHFFFAOYSA-N 1 0 395.547 4.317 20 0 GIADRO C[N@H+](Cc1ccccc1CNC(=O)NOCc1ccccc1)C1CCCCC1 ZINC000060609219 823547636 /nfs/dbraw/zinc/54/76/36/823547636.db2.gz OYXAPSUUOOYPAN-UHFFFAOYSA-N 1 0 381.520 4.382 20 0 GIADRO O=c1ccccn1Cc1ccc(C[NH2+][C@@H]2CCSc3c(F)cccc32)cc1 ZINC000177931310 823547720 /nfs/dbraw/zinc/54/77/20/823547720.db2.gz OQCQPVVOHPNKAV-HXUWFJFHSA-N 1 0 380.488 4.362 20 0 GIADRO c1ccc(-c2ccccc2OCC[NH2+]C2CCN(Cc3ccncc3)CC2)cc1 ZINC000177933220 823547842 /nfs/dbraw/zinc/54/78/42/823547842.db2.gz KYZWFHHUXSPARC-UHFFFAOYSA-N 1 0 387.527 4.382 20 0 GIADRO C[C@@H]([NH2+]CCOc1ccccc1-c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000177933816 823548122 /nfs/dbraw/zinc/54/81/22/823548122.db2.gz QOKXPDKISOXITO-GOSISDBHSA-N 1 0 395.524 4.487 20 0 GIADRO COc1ccc(Nc2ccccc2C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000060613668 823548181 /nfs/dbraw/zinc/54/81/81/823548181.db2.gz VGAKWWCQDPKBEJ-UHFFFAOYSA-N 1 0 381.520 4.478 20 0 GIADRO CCN(C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)[C@H]1CCOC(C)(C)C1 ZINC000460949976 823548982 /nfs/dbraw/zinc/54/89/82/823548982.db2.gz OCUUVTBCNZUYGB-MHJFOBGBSA-N 1 0 379.589 4.019 20 0 GIADRO CCN(C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)[C@@H]1CCOC(C)(C)C1 ZINC000460949977 823549036 /nfs/dbraw/zinc/54/90/36/823549036.db2.gz OCUUVTBCNZUYGB-SOAGJPPSSA-N 1 0 379.589 4.019 20 0 GIADRO COc1cccc(CN(C)C(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)c1 ZINC000060630915 823549394 /nfs/dbraw/zinc/54/93/94/823549394.db2.gz YDROWNWYXIZGJC-HSZRJFAPSA-N 1 0 395.547 4.310 20 0 GIADRO C[C@@H]([NH2+]C[C@H]1Cc2ccccc2O1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000123905426 823550448 /nfs/dbraw/zinc/55/04/48/823550448.db2.gz VQJSMMRGALFWBB-VQIMIIECSA-N 1 0 385.529 4.057 20 0 GIADRO O=C(Nc1ccccc1)C1CC[NH+](Cc2ccc(-c3ncco3)cc2F)CC1 ZINC000411134644 823550794 /nfs/dbraw/zinc/55/07/94/823550794.db2.gz NVQGZFZGNRAACJ-UHFFFAOYSA-N 1 0 379.435 4.331 20 0 GIADRO COc1ccc(C[NH2+][C@H]2CCCOc3cc(Br)ccc32)cc1OC ZINC000123911677 823551233 /nfs/dbraw/zinc/55/12/33/823551233.db2.gz AFVMFGTVPYOVII-INIZCTEOSA-N 1 0 392.293 4.470 20 0 GIADRO CCCCn1ncc(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)c1C ZINC000123916288 823551341 /nfs/dbraw/zinc/55/13/41/823551341.db2.gz WKAJKMLAGNIKTK-UHFFFAOYSA-N 1 0 386.565 4.101 20 0 GIADRO Cn1c(CC[NH2+]Cc2ccccc2OCc2cccnc2)nc2cc(F)ccc21 ZINC000123923921 823552021 /nfs/dbraw/zinc/55/20/21/823552021.db2.gz DRUWKHYLSOYTQP-UHFFFAOYSA-N 1 0 390.462 4.019 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(C(F)(F)F)n1 ZINC000123930538 823552629 /nfs/dbraw/zinc/55/26/29/823552629.db2.gz OUWUEKRAVNCMMJ-MRXNPFEDSA-N 1 0 392.425 4.086 20 0 GIADRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@H]1CCCc2c(O)cccc21 ZINC000190231612 823553485 /nfs/dbraw/zinc/55/34/85/823553485.db2.gz RSSNNVJTCVBICH-FQEVSTJZSA-N 1 0 396.556 4.308 20 0 GIADRO CC[C@H](C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(F)cc1 ZINC000460973590 823553636 /nfs/dbraw/zinc/55/36/36/823553636.db2.gz NIMSQVMNOAVHIE-IXFSTUDKSA-N 1 0 398.522 4.245 20 0 GIADRO CC[C@@H](C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)C1CCC(C)CC1 ZINC000460977950 823554582 /nfs/dbraw/zinc/55/45/82/823554582.db2.gz HQHBJWNZYXMCEE-DLXXATECSA-N 1 0 378.601 4.187 20 0 GIADRO CC[N@H+](C)Cc1cccc(CN[C@H](C)c2nnn(-c3ccc(F)cc3)c2C)c1 ZINC000123951430 823554686 /nfs/dbraw/zinc/55/46/86/823554686.db2.gz PGLMUMQFWAABOL-MRXNPFEDSA-N 1 0 381.499 4.017 20 0 GIADRO CC(C)Oc1ccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c(C(F)(F)F)c1 ZINC000123965091 823556092 /nfs/dbraw/zinc/55/60/92/823556092.db2.gz RTOLOYPCFWIVRB-KDOFPFPSSA-N 1 0 399.457 4.441 20 0 GIADRO CC[NH+](CC)[C@H](C)CNC(=O)c1cn(C(C)(C)C)nc1-c1ccc(F)cc1F ZINC000460996196 823556632 /nfs/dbraw/zinc/55/66/32/823556632.db2.gz JWUCDNUHOFTXMF-CQSZACIVSA-N 1 0 392.494 4.043 20 0 GIADRO Cc1cc(C)c(Br)c(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000460998377 823557032 /nfs/dbraw/zinc/55/70/32/823557032.db2.gz FBUFFSJZWONGOI-MRXNPFEDSA-N 1 0 379.342 4.156 20 0 GIADRO CN(C)S(=O)(=O)c1ccc(C[N@H+](Cc2ccc(F)cc2)C2CCCCC2)o1 ZINC000060790519 823557857 /nfs/dbraw/zinc/55/78/57/823557857.db2.gz LDRXYWCGNOPCAC-UHFFFAOYSA-N 1 0 394.512 4.004 20 0 GIADRO CCC1(C(=O)N(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)CCCCC1 ZINC000461014872 823559303 /nfs/dbraw/zinc/55/93/03/823559303.db2.gz JUJIXLJNHQJWSQ-UHFFFAOYSA-N 1 0 377.617 4.002 20 0 GIADRO Fc1ccc(C[N@H+](CCc2ccccn2)CC2CCC3(CC2)OCCO3)cc1 ZINC000190293172 823559869 /nfs/dbraw/zinc/55/98/69/823559869.db2.gz AXRKNXBRALPAEN-UHFFFAOYSA-N 1 0 384.495 4.199 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)c2cccc(OCc3ccc(Cl)cc3)c2)CC[N@@H+]1C ZINC000124022237 823560806 /nfs/dbraw/zinc/56/08/06/823560806.db2.gz YDFSLCGFLZNHOV-OXQOHEQNSA-N 1 0 386.923 4.474 20 0 GIADRO CCOc1c(Cl)cc(C[NH2+]C[C@@H](Cc2ccccc2)N(C)C)cc1OC ZINC000060832027 823560922 /nfs/dbraw/zinc/56/09/22/823560922.db2.gz SIYSBOSFVXFIJV-GOSISDBHSA-N 1 0 376.928 4.010 20 0 GIADRO CC(=O)c1ccc(NC(=S)NCC2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000060837393 823561169 /nfs/dbraw/zinc/56/11/69/823561169.db2.gz TZQMXHUHEWAPDY-UHFFFAOYSA-N 1 0 387.574 4.149 20 0 GIADRO O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000411269297 823561241 /nfs/dbraw/zinc/56/12/41/823561241.db2.gz NRJGXXUBLUZVLE-OALUTQOASA-N 1 0 378.969 4.125 20 0 GIADRO Cc1nn(-c2ccccc2)cc1C[NH2+]Cc1ccc(C)nc1-n1cc(Cl)cn1 ZINC000190308824 823561509 /nfs/dbraw/zinc/56/15/09/823561509.db2.gz LQECAGXBWHBJRQ-UHFFFAOYSA-N 1 0 392.894 4.013 20 0 GIADRO COC1CCC([N@H+](C)CCC(=O)N[C@H](c2cccs2)c2ccccc2)CC1 ZINC000411277750 823561934 /nfs/dbraw/zinc/56/19/34/823561934.db2.gz XIILGAVIDLCGDQ-AJTFCVKESA-N 1 0 386.561 4.233 20 0 GIADRO CCc1nc(C)c([C@H](C)[N@H+](C)C[C@@H](O)COc2ccc(SC)cc2)s1 ZINC000411285785 823562377 /nfs/dbraw/zinc/56/23/77/823562377.db2.gz SQRWABCQJHRPDZ-LSDHHAIUSA-N 1 0 380.579 4.169 20 0 GIADRO C[C@@H]([NH2+]CC1CCC2(CC1)OCCO2)c1cccc(OCc2ccccn2)c1 ZINC000190321023 823562505 /nfs/dbraw/zinc/56/25/05/823562505.db2.gz UXYNUYZIULUWEO-GOSISDBHSA-N 1 0 382.504 4.245 20 0 GIADRO Cc1ncsc1CCC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000411292443 823562630 /nfs/dbraw/zinc/56/26/30/823562630.db2.gz MNJDHTSDXAKXKM-UHFFFAOYSA-N 1 0 393.556 4.429 20 0 GIADRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(SCc2cn3ccccc3n2)cc1 ZINC000461035486 823562819 /nfs/dbraw/zinc/56/28/19/823562819.db2.gz SJHGDJKDHCNNHN-QGZVFWFLSA-N 1 0 396.560 4.085 20 0 GIADRO CN(Cc1nc2ccc(Cl)cc2c(=O)[nH]1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000411295669 823562847 /nfs/dbraw/zinc/56/28/47/823562847.db2.gz DZIBUFPJPIHXCQ-GOSISDBHSA-N 1 0 396.922 4.085 20 0 GIADRO CC(C)c1nccn1Cc1cccc(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000124050999 823563137 /nfs/dbraw/zinc/56/31/37/823563137.db2.gz DPPHMIJBZINONI-UHFFFAOYSA-N 1 0 397.567 4.486 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccc(-c3ncco3)cc2F)C1)CC(F)(F)F ZINC000411300333 823563172 /nfs/dbraw/zinc/56/31/72/823563172.db2.gz BPRFBBCMXDTVEU-AWEZNQCLSA-N 1 0 385.405 4.187 20 0 GIADRO CC(=O)c1c(C)[nH]c(C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1C(C)C ZINC000124055511 823563742 /nfs/dbraw/zinc/56/37/42/823563742.db2.gz OGGRZVDTXRXYNL-IYBDPMFKSA-N 1 0 375.557 4.137 20 0 GIADRO C[C@H](c1ccc(Cl)cc1)[N@H+](C)CCCOc1cccc(S(C)(=O)=O)c1 ZINC000060904961 823565676 /nfs/dbraw/zinc/56/56/76/823565676.db2.gz FDTBLOXFYWZNTD-OAHLLOKOSA-N 1 0 381.925 4.205 20 0 GIADRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)[C@@]1(C)C[C@@H]1c1ccccc1)c1ccccc1O2 ZINC000411352823 823565968 /nfs/dbraw/zinc/56/59/68/823565968.db2.gz VXGNHLVLJZBJLZ-LGVFNWMJSA-N 1 0 390.527 4.285 20 0 GIADRO COc1ccccc1C(C)(C)[NH2+]CCC(=O)Nc1ccccc1Br ZINC000411359021 823566268 /nfs/dbraw/zinc/56/62/68/823566268.db2.gz CYHVSNDBPSFYJJ-UHFFFAOYSA-N 1 0 391.309 4.311 20 0 GIADRO C[C@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000411358647 823566314 /nfs/dbraw/zinc/56/63/14/823566314.db2.gz COZGEHBRHUAIHK-GUYCJALGSA-N 1 0 386.483 4.100 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000411361606 823566529 /nfs/dbraw/zinc/56/65/29/823566529.db2.gz AGJFPNGDXPDAQP-UHFFFAOYSA-N 1 0 392.478 4.236 20 0 GIADRO Cc1cc(C)cc(NC(=O)[C@H](C)Nc2ccc(CC[NH+]3CCSCC3)cc2)c1 ZINC000060926457 823567211 /nfs/dbraw/zinc/56/72/11/823567211.db2.gz BNUFTQCIFOQOFG-IBGZPJMESA-N 1 0 397.588 4.334 20 0 GIADRO CCN(C(=O)[C@@H](C)Nc1ccc(CC[NH+]2CCSCC2)cc1)c1ccccc1 ZINC000060926535 823567218 /nfs/dbraw/zinc/56/72/18/823567218.db2.gz SFTFLWZMIDVYPW-LJQANCHMSA-N 1 0 397.588 4.131 20 0 GIADRO CC(C)([NH2+]CCC(=O)N[C@H](c1cccs1)c1ccccc1)c1nccs1 ZINC000411375796 823567345 /nfs/dbraw/zinc/56/73/45/823567345.db2.gz ROICXSZIOMTQRH-SFHVURJKSA-N 1 0 385.558 4.325 20 0 GIADRO O=C(NCc1ccc(F)cc1C(F)(F)F)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000124101940 823567666 /nfs/dbraw/zinc/56/76/66/823567666.db2.gz HAHAJXRYUKWABO-KDOFPFPSSA-N 1 0 399.432 4.003 20 0 GIADRO CC[NH2+]Cc1cccc(NC(=O)c2ccccc2-c2nc(C(C)(C)C)no2)c1 ZINC000124108354 823568178 /nfs/dbraw/zinc/56/81/78/823568178.db2.gz XBELOIVDZMDMHG-UHFFFAOYSA-N 1 0 378.476 4.396 20 0 GIADRO COc1ccc(C(=O)Nc2cccc(C[NH2+]C[C@@](C)(O)c3ccsc3)c2)cc1 ZINC000124116630 823568987 /nfs/dbraw/zinc/56/89/87/823568987.db2.gz YYESWTILLACSMV-JOCHJYFZSA-N 1 0 396.512 4.006 20 0 GIADRO Cc1nc(-c2ccc(CCNC(=O)NCC[NH+](C(C)C)C(C)C)s2)cs1 ZINC000060955509 823569319 /nfs/dbraw/zinc/56/93/19/823569319.db2.gz VQKDXCBLJRSQDC-UHFFFAOYSA-N 1 0 394.610 4.141 20 0 GIADRO Cc1ccccc1-n1ncc(C(=O)NC2CC[NH+](CC(C)C)CC2)c1C(C)C ZINC000190400529 823569378 /nfs/dbraw/zinc/56/93/78/823569378.db2.gz HOVZDRIWOOZBAD-UHFFFAOYSA-N 1 0 382.552 4.154 20 0 GIADRO COC(=O)[C@H](C)[C@H]([NH2+]CCc1nc(-c2cccc(Cl)c2)no1)c1ccccc1 ZINC000411396872 823570099 /nfs/dbraw/zinc/57/00/99/823570099.db2.gz YIPLNZHDDFZRHR-KUHUBIRLSA-N 1 0 399.878 4.073 20 0 GIADRO Cc1nccn1CCC[N@@H+](C)CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000411403214 823570580 /nfs/dbraw/zinc/57/05/80/823570580.db2.gz VXXGQCFOLUUGNK-UHFFFAOYSA-N 1 0 392.503 4.335 20 0 GIADRO COc1ccc(CNCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1OCc1cccnc1 ZINC000060978697 823570904 /nfs/dbraw/zinc/57/09/04/823570904.db2.gz YGQHSZXHAGDPKT-BGYRXZFFSA-N 1 0 397.563 4.127 20 0 GIADRO C[C@@H]1CCc2c(sc3nc(CC[N@@H+]4CCC[C@H]4c4ccncc4)nc(N)c23)C1 ZINC000411415890 823571619 /nfs/dbraw/zinc/57/16/19/823571619.db2.gz KLBHDRJDWYJLTM-PBHICJAKSA-N 1 0 393.560 4.173 20 0 GIADRO COc1ccc([C@@H](Cc2ccccc2)NC(=O)c2ccc(C[NH+](C)C)cc2)cc1 ZINC000461079671 823571947 /nfs/dbraw/zinc/57/19/47/823571947.db2.gz FTSXYBCJAXOYEC-XMMPIXPASA-N 1 0 388.511 4.471 20 0 GIADRO O=C(CC[N@@H+]1CCC[C@@H]1c1cccnc1)Nc1ccc(Br)cc1F ZINC000411419355 823572114 /nfs/dbraw/zinc/57/21/14/823572114.db2.gz OXOAQLSRFHOXHU-QGZVFWFLSA-N 1 0 392.272 4.149 20 0 GIADRO CN(CCc1ccccc1)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000061011467 823572418 /nfs/dbraw/zinc/57/24/18/823572418.db2.gz AQSQBAFXQXLBGB-UHFFFAOYSA-N 1 0 379.548 4.447 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(c2c(F)cccc2F)C1=O)c1ccc(OC(F)F)cc1 ZINC000124154826 823572551 /nfs/dbraw/zinc/57/25/51/823572551.db2.gz AVDMANSZAFHIHA-MEDUHNTESA-N 1 0 382.357 4.022 20 0 GIADRO COc1cc(CNC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)ccc1C ZINC000061011508 823572620 /nfs/dbraw/zinc/57/26/20/823572620.db2.gz PBCMODKYAFOMEO-UHFFFAOYSA-N 1 0 395.547 4.379 20 0 GIADRO COCc1ccc(CNC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)cc1 ZINC000061011718 823572682 /nfs/dbraw/zinc/57/26/82/823572682.db2.gz SPKJKZCMJVZILQ-UHFFFAOYSA-N 1 0 395.547 4.208 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc3noc(-c4ccc(F)cc4)c3c2)C1 ZINC000124158620 823572928 /nfs/dbraw/zinc/57/29/28/823572928.db2.gz ZTNZDPHAYCWMRD-OAHLLOKOSA-N 1 0 381.451 4.048 20 0 GIADRO CCOc1ccc([C@H]([NH2+]C[C@]2(OC)CCOC2)c2ccccc2Cl)cc1 ZINC000461084838 823573230 /nfs/dbraw/zinc/57/32/30/823573230.db2.gz JIJPUEAUCPAFNM-LEWJYISDSA-N 1 0 375.896 4.223 20 0 GIADRO CC[C@H]([NH2+][C@@H]1CCN(Cc2ccc(OC)cc2)C1=O)c1cccc(Cl)c1F ZINC000461085202 823573471 /nfs/dbraw/zinc/57/34/71/823573471.db2.gz FNTVAKSCGQTRHA-RBUKOAKNSA-N 1 0 390.886 4.330 20 0 GIADRO O=S1(=O)CCCN1c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2c2ccccc2)cc1 ZINC000461085577 823573616 /nfs/dbraw/zinc/57/36/16/823573616.db2.gz HYEHUYKKJSAOFN-FGZHOGPDSA-N 1 0 384.545 4.043 20 0 GIADRO Cn1ccnc1C[C@H]1CCC[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000411434740 823573959 /nfs/dbraw/zinc/57/39/59/823573959.db2.gz ZJTHNJNVIKHATF-CQSZACIVSA-N 1 0 395.334 4.010 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(Cl)c(N)c(Cl)c1 ZINC000124170294 823574145 /nfs/dbraw/zinc/57/41/45/823574145.db2.gz NIWIPGWIDTUTAR-HNNXBMFYSA-N 1 0 392.330 4.170 20 0 GIADRO FC(F)Oc1ccc(CC[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)cc1 ZINC000061029715 823574214 /nfs/dbraw/zinc/57/42/14/823574214.db2.gz LZGDXCDNDZUJLV-UHFFFAOYSA-N 1 0 383.822 4.435 20 0 GIADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]Cc2ccc(C(C)(C)C)cc2)cc1 ZINC000061029434 823574276 /nfs/dbraw/zinc/57/42/76/823574276.db2.gz DZKMHWQKESXUJC-UHFFFAOYSA-N 1 0 388.577 4.304 20 0 GIADRO C[C@H]1CSCC[N@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000190440749 823574368 /nfs/dbraw/zinc/57/43/68/823574368.db2.gz XRWXDQVVPGWXPY-CYBMUJFWSA-N 1 0 378.339 4.091 20 0 GIADRO CSc1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2cccc(OC(F)F)c2)cc1 ZINC000411441144 823574395 /nfs/dbraw/zinc/57/43/95/823574395.db2.gz CWWNDPGXWWQFMB-HIFRSBDPSA-N 1 0 383.460 4.100 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]2CCCc3c(O)cccc32)CC1 ZINC000190441495 823574495 /nfs/dbraw/zinc/57/44/95/823574495.db2.gz QRGMZRGDGKRNMW-VGSWGCGISA-N 1 0 378.516 4.154 20 0 GIADRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCCC(=O)Nc2ccc(Cl)cc2)C[C@H]1C ZINC000461089796 823574757 /nfs/dbraw/zinc/57/47/57/823574757.db2.gz OUGMRIHQWYMIQP-ZTFGCOKTSA-N 1 0 380.916 4.016 20 0 GIADRO COc1ccc2c(c1)CCC[C@@H]2C[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000124176687 823574818 /nfs/dbraw/zinc/57/48/18/823574818.db2.gz FFBYUARQDBFSIY-QFBILLFUSA-N 1 0 380.488 4.423 20 0 GIADRO COc1ccc([C@H](CCO)[NH2+]CCC(=O)Nc2c(Cl)cccc2Cl)cc1 ZINC000411447896 823575310 /nfs/dbraw/zinc/57/53/10/823575310.db2.gz BSCRKMXKZJDYIM-KRWDZBQOSA-N 1 0 397.302 4.044 20 0 GIADRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)C[C@@H](c2ccccc2)C1 ZINC000461093216 823575378 /nfs/dbraw/zinc/57/53/78/823575378.db2.gz VVEAZMBWHMFVOO-YUXAGFNASA-N 1 0 398.572 4.289 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1cccc(OCc2ccccn2)c1)C(=O)N(C)c1ccccc1 ZINC000411450480 823575764 /nfs/dbraw/zinc/57/57/64/823575764.db2.gz SZWXBPIAKNTZHR-RBUKOAKNSA-N 1 0 389.499 4.363 20 0 GIADRO C[C@H]([NH2+]CC(=O)N1CCCC[C@@H]1C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000411450968 823576001 /nfs/dbraw/zinc/57/60/01/823576001.db2.gz HOIGMVXNSLXZSN-IRXDYDNUSA-N 1 0 397.494 4.130 20 0 GIADRO O=c1[nH]c(CC[NH2+][C@H](CC(F)(F)F)c2ccc(F)cc2)nc2ccccc12 ZINC000411451073 823576007 /nfs/dbraw/zinc/57/60/07/823576007.db2.gz HTOVLLWCQCBWCU-MRXNPFEDSA-N 1 0 379.357 4.300 20 0 GIADRO COc1ccc([C@@H]([NH2+]C[C@@]2(OC)CCOC2)c2ccccc2Cl)c(C)c1 ZINC000461096064 823576064 /nfs/dbraw/zinc/57/60/64/823576064.db2.gz SOOQANQATSLNPR-RTWAWAEBSA-N 1 0 375.896 4.142 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1cc(Cl)cc(Cl)c1 ZINC000461095816 823576095 /nfs/dbraw/zinc/57/60/95/823576095.db2.gz YEZPBWPCVLHVLN-CYBMUJFWSA-N 1 0 399.343 4.384 20 0 GIADRO Cc1ccc(-c2ncc(C[N@@H+]3CCC[C@H](c4nnc5n4CCCCC5)C3)s2)o1 ZINC000124198460 823576755 /nfs/dbraw/zinc/57/67/55/823576755.db2.gz DCCWBBDZGLGIME-INIZCTEOSA-N 1 0 397.548 4.409 20 0 GIADRO COc1ccc(CNCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)c(OC)c1 ZINC000061070936 823576898 /nfs/dbraw/zinc/57/68/98/823576898.db2.gz AQWLTJJQBKDFAU-OALUTQOASA-N 1 0 382.548 4.472 20 0 GIADRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)Nc2ccnn2C(C)(C)C)CC1 ZINC000190456651 823577205 /nfs/dbraw/zinc/57/72/05/823577205.db2.gz HYRUEIFPAXDTKV-UHFFFAOYSA-N 1 0 383.540 4.014 20 0 GIADRO COc1ccc(NC(=O)NC2CC[NH+](C(C)C)CC2)c(OCc2ccccc2)c1 ZINC000190458258 823577318 /nfs/dbraw/zinc/57/73/18/823577318.db2.gz NBHJRFVZGJKODY-UHFFFAOYSA-N 1 0 397.519 4.269 20 0 GIADRO COc1ccc([C@@H](CNC(=O)NCc2cccc(C)c2)[NH+]2CCCCC2)cc1 ZINC000061076628 823577367 /nfs/dbraw/zinc/57/73/67/823577367.db2.gz OBYORNNQQJBGMZ-JOCHJYFZSA-N 1 0 381.520 4.030 20 0 GIADRO CCOc1cc(C[NH2+]Cc2ccc(C#N)cc2)cc(Br)c1OC ZINC000061079325 823577459 /nfs/dbraw/zinc/57/74/59/823577459.db2.gz YOUUHKNGVRZFMJ-UHFFFAOYSA-N 1 0 375.266 4.018 20 0 GIADRO Cc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@H](CCO)C2CCOCC2)CCC3)cc1 ZINC000461101136 823577500 /nfs/dbraw/zinc/57/75/00/823577500.db2.gz CSTZFEOEASRTOL-RTBURBONSA-N 1 0 386.561 4.263 20 0 GIADRO O=C(CC[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1)NC(=O)Nc1ccccc1 ZINC000411461781 823577567 /nfs/dbraw/zinc/57/75/67/823577567.db2.gz TYYCSBKDYDMQTQ-MRXNPFEDSA-N 1 0 397.372 4.147 20 0 GIADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc(Oc3ccc(F)cc3)ccn2)C[C@@H]1C ZINC000461103921 823578045 /nfs/dbraw/zinc/57/80/45/823578045.db2.gz QIADHAILCBNIIS-HZUJVAHNSA-N 1 0 386.467 4.471 20 0 GIADRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1C(F)(F)F)c1ccc2c(c1)OCO2 ZINC000411465770 823578095 /nfs/dbraw/zinc/57/80/95/823578095.db2.gz XNQIBPYTEWLWQT-GFCCVEGCSA-N 1 0 380.366 4.114 20 0 GIADRO CO[C@@]1(C[NH2+][C@H](c2ccc(F)cc2)c2ccc(C(F)(F)F)cc2)CCOC1 ZINC000461105012 823578253 /nfs/dbraw/zinc/57/82/53/823578253.db2.gz YUPJXJOKGFSKIR-RBUKOAKNSA-N 1 0 383.385 4.329 20 0 GIADRO CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3ccc(-c4ncco4)cc3F)ccc2NC1=O ZINC000411470671 823578457 /nfs/dbraw/zinc/57/84/57/823578457.db2.gz JHIUCPFVBRJRSU-BFUOFWGJSA-N 1 0 395.434 4.441 20 0 GIADRO C[S@@](=O)C[C@H]([NH2+]CCC(=O)Nc1c(Cl)cccc1Cl)c1ccccc1 ZINC000411469166 823578549 /nfs/dbraw/zinc/57/85/49/823578549.db2.gz FXASQDCMSVRHBV-IVCQMTBJSA-N 1 0 399.343 4.031 20 0 GIADRO Cn1cc([C@H]([NH2+]CCC(=O)Nc2cccc(C(F)(F)F)c2)C(C)(C)C)cn1 ZINC000411471553 823578632 /nfs/dbraw/zinc/57/86/32/823578632.db2.gz FMCMDMQMFQOULZ-KRWDZBQOSA-N 1 0 382.430 4.145 20 0 GIADRO COc1cc(NC(=O)CC[NH2+][C@@H](C)c2cccc(C)c2C)cc(OC)c1OC ZINC000411471243 823578778 /nfs/dbraw/zinc/57/87/78/823578778.db2.gz PUYWPUIAHINXCO-INIZCTEOSA-N 1 0 386.492 4.009 20 0 GIADRO COc1cc(NC(=O)CC[NH2+]C(C)(C)c2cccc(F)c2)c(OC)cc1Cl ZINC000411472900 823578882 /nfs/dbraw/zinc/57/88/82/823578882.db2.gz UOPRLCTVOWCKQZ-UHFFFAOYSA-N 1 0 394.874 4.350 20 0 GIADRO CCOc1ccccc1NC(=O)CC[NH2+][C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000411473840 823578907 /nfs/dbraw/zinc/57/89/07/823578907.db2.gz KRVLPPVRSJAFSR-KRWDZBQOSA-N 1 0 392.503 4.259 20 0 GIADRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000461109164 823579197 /nfs/dbraw/zinc/57/91/97/823579197.db2.gz CTUMWABQOCNDCG-KRWDZBQOSA-N 1 0 380.454 4.260 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)CCCc3ccc(OC)cc3)c(C)c2)CC1 ZINC000061131793 823579556 /nfs/dbraw/zinc/57/95/56/823579556.db2.gz VTWXPGOEDGSWSK-UHFFFAOYSA-N 1 0 395.547 4.107 20 0 GIADRO CN(C(=O)NC[C@H](c1cccs1)[NH+](C)C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000461111060 823579536 /nfs/dbraw/zinc/57/95/36/823579536.db2.gz YEECGQSWYNWXFC-HZSPNIEDSA-N 1 0 377.476 4.113 20 0 GIADRO O=C(Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1)Nc1cc(Cl)cc(Cl)c1 ZINC000461111867 823579758 /nfs/dbraw/zinc/57/97/58/823579758.db2.gz LBASRSZDNORIAM-QGZVFWFLSA-N 1 0 380.275 4.204 20 0 GIADRO O=C(CC[NH2+][C@@H](Cc1ccccc1)C1CC1)Nc1ccccc1Br ZINC000411480331 823579902 /nfs/dbraw/zinc/57/99/02/823579902.db2.gz OFPHAJJOYWLNEQ-IBGZPJMESA-N 1 0 387.321 4.389 20 0 GIADRO CC[C@H]([NH2+]CCC(=O)Nc1ccc(OCc2ccccc2)cc1)C1CCOCC1 ZINC000411482253 823580122 /nfs/dbraw/zinc/58/01/22/823580122.db2.gz SIWOQYCHNMCZOU-QHCPKHFHSA-N 1 0 396.531 4.389 20 0 GIADRO COc1ccc([C@H]([NH2+][C@H]2CCCCNC2=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000411482581 823580266 /nfs/dbraw/zinc/58/02/66/823580266.db2.gz CYGZKXWIXCDREF-RBUKOAKNSA-N 1 0 392.421 4.062 20 0 GIADRO O=C(Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1)Nc1cc(Cl)ccc1Cl ZINC000461117413 823580604 /nfs/dbraw/zinc/58/06/04/823580604.db2.gz ULYNHGMAHWGREM-OAHLLOKOSA-N 1 0 380.275 4.204 20 0 GIADRO CC(C)(C)OC(=O)C1CCC([NH2+]CCc2nc(-c3ccccn3)cs2)CC1 ZINC000124247147 823580682 /nfs/dbraw/zinc/58/06/82/823580682.db2.gz CCGCVRLTGUSQQG-UHFFFAOYSA-N 1 0 387.549 4.238 20 0 GIADRO O=C(CC[NH2+][C@@H](c1cccnc1)C1CC1)Nc1ccc(Br)cc1F ZINC000411505628 823582208 /nfs/dbraw/zinc/58/22/08/823582208.db2.gz ONUKYFXIWRWUPE-GOSISDBHSA-N 1 0 392.272 4.053 20 0 GIADRO CC1(C)C[C@H](C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)c2ccccc2O1 ZINC000411508803 823582359 /nfs/dbraw/zinc/58/23/59/823582359.db2.gz ZKVQRNJFTRKMTH-NRFANRHFSA-N 1 0 396.506 4.251 20 0 GIADRO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C[N@@H+](C)[C@H](C)C[S@@](C)=O ZINC000411513147 823583023 /nfs/dbraw/zinc/58/30/23/823583023.db2.gz OEOYLBSNWDLVRF-SSINHNECSA-N 1 0 390.496 4.336 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)NCc1cc2ccccc2o1)[NH+]1CCCC1 ZINC000061190946 823583102 /nfs/dbraw/zinc/58/31/02/823583102.db2.gz PBDWIPBJGMVNBY-FQEVSTJZSA-N 1 0 393.487 4.078 20 0 GIADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2ccc(Cl)cc2Br)C1 ZINC000124278264 823583367 /nfs/dbraw/zinc/58/33/67/823583367.db2.gz OPMCZFBCVWDYCJ-CYBMUJFWSA-N 1 0 387.749 4.344 20 0 GIADRO CC[C@@H]([NH2+]CCC(=O)Nc1ccc(Br)cc1F)c1c(C)noc1C ZINC000411516978 823583400 /nfs/dbraw/zinc/58/34/00/823583400.db2.gz KZFOWMCEEIWRPT-CQSZACIVSA-N 1 0 398.276 4.263 20 0 GIADRO COc1ccc(NC(=O)CC[NH2+][C@H](c2ncc(C)s2)C2CC2)cc1Cl ZINC000411517453 823583438 /nfs/dbraw/zinc/58/34/38/823583438.db2.gz MKCJZCLKYFAVEI-KRWDZBQOSA-N 1 0 379.913 4.183 20 0 GIADRO CC[C@@H]([NH2+]CCc1nc2sc3c(c2c(N)n1)CC[C@@H](C)C3)c1nccs1 ZINC000411517790 823583682 /nfs/dbraw/zinc/58/36/82/823583682.db2.gz NNXMIWVXDPIBAX-DGCLKSJQSA-N 1 0 387.578 4.138 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(CNC(=O)C(C)(C)C)cc2)cc1 ZINC000190531292 823583862 /nfs/dbraw/zinc/58/38/62/823583862.db2.gz OOIHYDFNRLPFIZ-UHFFFAOYSA-N 1 0 395.547 4.443 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]CCOc1cccc(Cl)c1 ZINC000411519316 823584004 /nfs/dbraw/zinc/58/40/04/823584004.db2.gz RVALUUSLRSJKFL-LLVKDONJSA-N 1 0 375.822 4.445 20 0 GIADRO C[C@H]([NH2+]CCC(=O)NCc1ccccc1Cl)c1nc(C(C)(C)C)cs1 ZINC000411521029 823584151 /nfs/dbraw/zinc/58/41/51/823584151.db2.gz SGVOUEFXLATPRS-ZDUSSCGKSA-N 1 0 379.957 4.451 20 0 GIADRO CCS(=O)(=O)CCCCC[NH+]1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000190537772 823584382 /nfs/dbraw/zinc/58/43/82/823584382.db2.gz MSMQCIOBKZOCAX-UHFFFAOYSA-N 1 0 380.529 4.091 20 0 GIADRO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(C(=O)/C=C/c2cc3ccccc3o2)C1 ZINC000190544818 823584973 /nfs/dbraw/zinc/58/49/73/823584973.db2.gz XDNAQWUBOQMLNA-IWAYRVGRSA-N 1 0 395.528 4.191 20 0 GIADRO COc1cccc([C@H](CNC(=O)NC[C@H](c2ccccc2)C(C)C)[NH+](C)C)c1 ZINC000061221885 823585155 /nfs/dbraw/zinc/58/51/55/823585155.db2.gz DBKAZWOJISWTBC-VXKWHMMOSA-N 1 0 383.536 4.037 20 0 GIADRO CCOC(=O)Nc1ccc(NC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000061227474 823585359 /nfs/dbraw/zinc/58/53/59/823585359.db2.gz UKBMYWQDMNMRED-FQEVSTJZSA-N 1 0 396.491 4.041 20 0 GIADRO C[C@H]1C[C@H](c2cccnc2)[N@H+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000411532692 823585371 /nfs/dbraw/zinc/58/53/71/823585371.db2.gz ZOCATLSMYQNBHO-KBXCAEBGSA-N 1 0 388.309 4.256 20 0 GIADRO CSCC[C@@H]([NH2+]CCCOc1cc(C)cc(C)c1)c1nnc2ccccn21 ZINC000411537308 823585984 /nfs/dbraw/zinc/58/59/84/823585984.db2.gz RWABMDINCTXGLM-LJQANCHMSA-N 1 0 384.549 4.199 20 0 GIADRO Cc1cnc([C@@H](C)[NH2+]CCC(=O)N[C@@H](c2cccs2)c2ccccc2)s1 ZINC000411539319 823586279 /nfs/dbraw/zinc/58/62/79/823586279.db2.gz MCEAVIDZVSDQGC-DNVCBOLYSA-N 1 0 385.558 4.460 20 0 GIADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)C2(Cc3ccccc3Cl)CC2)CC1 ZINC000190559472 823586435 /nfs/dbraw/zinc/58/64/35/823586435.db2.gz XOLQXAKBKWMGAG-UHFFFAOYSA-N 1 0 386.923 4.379 20 0 GIADRO CC[NH+](CC)CCN(Cc1cccs1)C(=S)NCCc1ccccc1 ZINC000061242971 823586826 /nfs/dbraw/zinc/58/68/26/823586826.db2.gz RLOQZKCYNYYVHI-UHFFFAOYSA-N 1 0 375.607 4.009 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)Cn2c(CSC)nc3ccccc32)cc1 ZINC000190563176 823586857 /nfs/dbraw/zinc/58/68/57/823586857.db2.gz OUURCKMDRUNSHN-UHFFFAOYSA-N 1 0 396.560 4.380 20 0 GIADRO C[C@H](N[C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1noc(-c2ccccc2)n1 ZINC000124328107 823587605 /nfs/dbraw/zinc/58/76/05/823587605.db2.gz QTTHRDVQIPGQQF-IRXDYDNUSA-N 1 0 380.492 4.089 20 0 GIADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2cc(NC(=O)C(C)C)ccc2Cl)C1 ZINC000124329202 823587782 /nfs/dbraw/zinc/58/77/82/823587782.db2.gz HSBBIDLMGCPGAG-MRXNPFEDSA-N 1 0 393.959 4.032 20 0 GIADRO CC[C@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)c1cccc(Br)c1 ZINC000124335477 823588174 /nfs/dbraw/zinc/58/81/74/823588174.db2.gz GFUNWBHTYZWHKU-DOMZBBRYSA-N 1 0 379.264 4.374 20 0 GIADRO CC(C)[NH2+]C1CCN(C(=O)NCC(C)(C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000190581465 823588272 /nfs/dbraw/zinc/58/82/72/823588272.db2.gz CKFJTIQEXNHIMB-UHFFFAOYSA-N 1 0 385.474 4.155 20 0 GIADRO O=C(NCCc1ccccc1Br)c1ccc(C[NH+]2CCCC2)cc1 ZINC000061263879 823588477 /nfs/dbraw/zinc/58/84/77/823588477.db2.gz UPRWFKZRTMEZBU-UHFFFAOYSA-N 1 0 387.321 4.017 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)NCC(C)(C)c2ccc(C(F)(F)F)cc2)CC[N@@H+]1C ZINC000190583974 823588476 /nfs/dbraw/zinc/58/84/76/823588476.db2.gz RRBOEKHXCKSQCH-PBHICJAKSA-N 1 0 385.474 4.107 20 0 GIADRO CC(=O)c1ncc(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)s1 ZINC000411567604 823588517 /nfs/dbraw/zinc/58/85/17/823588517.db2.gz ZHKJETWSSQZZIQ-UHFFFAOYSA-N 1 0 385.533 4.040 20 0 GIADRO O=C(NCC[NH2+][C@H](c1ccc(Br)s1)C1CC1)c1ccccc1F ZINC000190591543 823589104 /nfs/dbraw/zinc/58/91/04/823589104.db2.gz YEYCPWCPUORSBG-INIZCTEOSA-N 1 0 397.313 4.120 20 0 GIADRO O=C(NC1CCN(c2ccccc2)CC1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000411583340 823589180 /nfs/dbraw/zinc/58/91/80/823589180.db2.gz CBKBLNODLNZFPF-UHFFFAOYSA-N 1 0 377.532 4.071 20 0 GIADRO C[C@H](CNC(=O)c1ccc(C2SCCCS2)cc1)[NH+]1CCC(C)CC1 ZINC000124348932 823589240 /nfs/dbraw/zinc/58/92/40/823589240.db2.gz MCYZARIZUWCWKF-MRXNPFEDSA-N 1 0 378.607 4.406 20 0 GIADRO CCCN(CC[NH+](CC)CC)C(=O)c1cnc(Cc2ccc(F)cc2)s1 ZINC000461158110 823589735 /nfs/dbraw/zinc/58/97/35/823589735.db2.gz MDZJJJXDQGRVGQ-UHFFFAOYSA-N 1 0 377.529 4.067 20 0 GIADRO COCCCN1CCC([NH2+][C@@H](c2ccc(Br)s2)C2CC2)CC1 ZINC000190597763 823589879 /nfs/dbraw/zinc/58/98/79/823589879.db2.gz HXFDVKIOWVISMT-QGZVFWFLSA-N 1 0 387.387 4.052 20 0 GIADRO O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000411604245 823590110 /nfs/dbraw/zinc/59/01/10/823590110.db2.gz GEMJEESFWCAMTM-FQEVSTJZSA-N 1 0 395.522 4.068 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)c2cc(C3CC3)nc3onc(CC(C)(C)C)c32)CC[N@@H+]1C ZINC000124364324 823590442 /nfs/dbraw/zinc/59/04/42/823590442.db2.gz NAGMMGCBYXVQQV-HOCLYGCPSA-N 1 0 398.551 4.244 20 0 GIADRO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+][C@H](CCCO)c1ccccc1 ZINC000124370405 823591034 /nfs/dbraw/zinc/59/10/34/823591034.db2.gz WKCMSAKNWLUUCD-OAQYLSRUSA-N 1 0 385.458 4.371 20 0 GIADRO CC[C@H](NC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1)c1c(C)noc1C ZINC000124374743 823591315 /nfs/dbraw/zinc/59/13/15/823591315.db2.gz CXTCHQYJQGKHFI-UZLBHIALSA-N 1 0 384.524 4.267 20 0 GIADRO Cc1cc(C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)ccc1NC(=O)CC(C)C ZINC000124375892 823591471 /nfs/dbraw/zinc/59/14/71/823591471.db2.gz BBQXGMLDNQVYCZ-LJQANCHMSA-N 1 0 387.568 4.077 20 0 GIADRO CCCN(CC[NH+](CC)CC)C(=O)c1cncc(-c2ccc(N(C)C)cc2)c1 ZINC000461171583 823592739 /nfs/dbraw/zinc/59/27/39/823592739.db2.gz VPIMJZHLHNCMBZ-UHFFFAOYSA-N 1 0 382.552 4.009 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@@H](c1ccccc1)C(C)(C)CO ZINC000411635264 823592878 /nfs/dbraw/zinc/59/28/78/823592878.db2.gz BKXXYCCVCYUINF-FQEVSTJZSA-N 1 0 390.911 4.027 20 0 GIADRO C[C@H](NC(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1)c1cc2ccccc2o1 ZINC000190652612 823595187 /nfs/dbraw/zinc/59/51/87/823595187.db2.gz HIBDALXVJRSIMT-PKOBYXMFSA-N 1 0 392.503 4.052 20 0 GIADRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)C1 ZINC000411670270 823596186 /nfs/dbraw/zinc/59/61/86/823596186.db2.gz FKXZQRXIGYNKPJ-SFHVURJKSA-N 1 0 397.466 4.095 20 0 GIADRO Cc1cc(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)c(Cl)cc1F ZINC000124441335 823597198 /nfs/dbraw/zinc/59/71/98/823597198.db2.gz MDQOWTUNNISLRI-UHFFFAOYSA-N 1 0 380.916 4.491 20 0 GIADRO C[C@@H](NC(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1)c1cc2ccccc2o1 ZINC000190686448 823598313 /nfs/dbraw/zinc/59/83/13/823598313.db2.gz HIBDALXVJRSIMT-IEBWSBKVSA-N 1 0 392.503 4.052 20 0 GIADRO COCCN(C)c1ccc(C[NH2+][C@@H](Cc2ccccc2)c2ccccc2)cn1 ZINC000190691384 823598712 /nfs/dbraw/zinc/59/87/12/823598712.db2.gz KPNZKNWXARDAJM-QHCPKHFHSA-N 1 0 375.516 4.238 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@H](C)[C@H](O)c2ccc(F)cc2)nnn1-c1ccc(Cl)cc1 ZINC000124461877 823598731 /nfs/dbraw/zinc/59/87/31/823598731.db2.gz OOIICSRRLFFDHW-RDXCRGQUSA-N 1 0 388.874 4.141 20 0 GIADRO CCC[C@@H](NC(=O)C(=O)Nc1cccc2c1C[N@@H+]([C@H](C)C(C)C)C2)C1CCC1 ZINC000411712542 823598912 /nfs/dbraw/zinc/59/89/12/823598912.db2.gz ZVVQYQKFUFBXJX-OXQOHEQNSA-N 1 0 385.552 4.070 20 0 GIADRO CC1CC[NH+](CCNC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)CC1 ZINC000061470955 823599342 /nfs/dbraw/zinc/59/93/42/823599342.db2.gz XCEFJEMZRQCMJC-LJQANCHMSA-N 1 0 375.513 4.008 20 0 GIADRO CC(C)(Cc1ccc(C(F)(F)F)cc1)[NH2+]CC(=O)Nc1cccnc1Cl ZINC000190700007 823599693 /nfs/dbraw/zinc/59/96/93/823599693.db2.gz FNIQYTVIBKYERJ-UHFFFAOYSA-N 1 0 385.817 4.303 20 0 GIADRO O=c1nc(C[NH2+][C@@H]2CCC[C@H]2OC(F)F)[nH]c2sc(-c3ccccc3)cc21 ZINC000411718694 823599811 /nfs/dbraw/zinc/59/98/11/823599811.db2.gz JUHFIKCUWFOIDJ-ZIAGYGMSSA-N 1 0 391.443 4.314 20 0 GIADRO CC1CC[NH+]([C@H](CNC(=O)Cc2noc3ccccc32)c2cccs2)CC1 ZINC000061499135 823599901 /nfs/dbraw/zinc/59/99/01/823599901.db2.gz CMSSKUCIECOGGW-GOSISDBHSA-N 1 0 383.517 4.021 20 0 GIADRO Cc1ccc([C@H](CNC(=O)CCCc2nc3ccccc3[nH]2)[NH+]2CCCC2)cc1 ZINC000061502810 823600082 /nfs/dbraw/zinc/60/00/82/823600082.db2.gz XBBKOPBVPVOGDM-QFIPXVFZSA-N 1 0 390.531 4.147 20 0 GIADRO C[C@@H](OCc1ccccc1)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000061503391 823600174 /nfs/dbraw/zinc/60/01/74/823600174.db2.gz HQZRCWRWJYXHSW-HXUWFJFHSA-N 1 0 380.532 4.284 20 0 GIADRO C[C@H]1c2nnc(C3CCCC3)n2CCN1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411738201 823601173 /nfs/dbraw/zinc/60/11/73/823601173.db2.gz KJXUPJWZTXHZTN-IBGZPJMESA-N 1 0 393.579 4.498 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)c2sc(-c3ccc(F)cc3)nc2C)CC1 ZINC000461226201 823601462 /nfs/dbraw/zinc/60/14/62/823601462.db2.gz XWSOKFJLONQMEQ-UHFFFAOYSA-N 1 0 375.513 4.109 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)Cc1c[nH]c2c1cccc2C ZINC000124507533 823602380 /nfs/dbraw/zinc/60/23/80/823602380.db2.gz AQBNNNCDOMFEEJ-UHFFFAOYSA-N 1 0 379.504 4.378 20 0 GIADRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@H]1C[C@@]1(F)c1ccccc1 ZINC000411758276 823603032 /nfs/dbraw/zinc/60/30/32/823603032.db2.gz NARXCLQIGHXXLA-SIKLNZKXSA-N 1 0 384.520 4.367 20 0 GIADRO CC(C)[C@H]([NH2+]Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1)C1(CO)CCC1 ZINC000411769727 823603721 /nfs/dbraw/zinc/60/37/21/823603721.db2.gz JZZVBROQJMZXTF-IBGZPJMESA-N 1 0 397.544 4.341 20 0 GIADRO CCOc1c(Br)cc(CNCCC[NH+]2CCC(C)CC2)cc1OC ZINC000061558241 823603792 /nfs/dbraw/zinc/60/37/92/823603792.db2.gz ZMQGKMAOHKLYIL-UHFFFAOYSA-N 1 0 399.373 4.068 20 0 GIADRO CC1CC[NH+](CCCNCc2cn(-c3ccccc3)nc2-c2cccnc2)CC1 ZINC000061558272 823603809 /nfs/dbraw/zinc/60/38/09/823603809.db2.gz ZNPXUBZWBOAHRR-UHFFFAOYSA-N 1 0 389.547 4.146 20 0 GIADRO COc1c(C)cnc(C[N@H+](C)CCC(=O)Nc2c(Cl)cccc2Cl)c1C ZINC000411783053 823604426 /nfs/dbraw/zinc/60/44/26/823604426.db2.gz ITRHJWBUDQUIAI-UHFFFAOYSA-N 1 0 396.318 4.474 20 0 GIADRO C[NH+](C)Cc1ccc(-c2ccccc2CNCc2cn(C(C)(C)C)nn2)cc1 ZINC000190745934 823604738 /nfs/dbraw/zinc/60/47/38/823604738.db2.gz XJZHAHCZQHNOMY-UHFFFAOYSA-N 1 0 377.536 4.052 20 0 GIADRO CC(C)[C@@H](CO)[C@@H]([NH2+]Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1)C(C)C ZINC000411788827 823604994 /nfs/dbraw/zinc/60/49/94/823604994.db2.gz MWGBKIKASKMIHI-XLIONFOSSA-N 1 0 399.560 4.443 20 0 GIADRO CC(C)[C@H](CO)[C@@H]([NH2+]Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1)C(C)C ZINC000411788824 823605004 /nfs/dbraw/zinc/60/50/04/823605004.db2.gz MWGBKIKASKMIHI-PXNSSMCTSA-N 1 0 399.560 4.443 20 0 GIADRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@@H]1C[C@]1(F)c1ccccc1 ZINC000411801042 823606044 /nfs/dbraw/zinc/60/60/44/823606044.db2.gz YKLYBTXSAKGNIK-UGKGYDQZSA-N 1 0 384.520 4.367 20 0 GIADRO CCCCc1oc2ccccc2c1/C=C/C(=O)NCCCC[NH+]1CCOCC1 ZINC000061609233 823606331 /nfs/dbraw/zinc/60/63/31/823606331.db2.gz FXVVXNVWVVCOFK-VAWYXSNFSA-N 1 0 384.520 4.017 20 0 GIADRO Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1NC(=O)Nc1ccccc1 ZINC000124558354 823606460 /nfs/dbraw/zinc/60/64/60/823606460.db2.gz UMWZNJQLYYPTEC-XLIONFOSSA-N 1 0 394.519 4.194 20 0 GIADRO CN(C(=O)c1csc2ccccc12)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000124558724 823606506 /nfs/dbraw/zinc/60/65/06/823606506.db2.gz SLTUQCHQALVYAH-RTWAWAEBSA-N 1 0 399.604 4.311 20 0 GIADRO CC1(C)[C@H]([NH2+]CCC(=O)NC(c2ccccc2)c2ccccc2)[C@H]2CCCO[C@H]21 ZINC000411811457 823607133 /nfs/dbraw/zinc/60/71/33/823607133.db2.gz YCSDNOMKJNVCJA-AGILITTLSA-N 1 0 392.543 4.076 20 0 GIADRO C[C@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1CCC(=O)Nc1ccccc1Br ZINC000411811359 823607208 /nfs/dbraw/zinc/60/72/08/823607208.db2.gz XTYDEHCSHVSQDQ-RYUDHWBXSA-N 1 0 393.247 4.441 20 0 GIADRO CC1(C)[C@H]([NH2+]CCC(=O)NC(c2ccccc2)c2ccccc2)[C@@H]2CCCO[C@@H]21 ZINC000411811460 823607218 /nfs/dbraw/zinc/60/72/18/823607218.db2.gz YCSDNOMKJNVCJA-ZTCOLXNVSA-N 1 0 392.543 4.076 20 0 GIADRO CC1(C)[C@H]([NH2+]CCC(=O)N[C@@H](c2cccs2)c2ccccc2)[C@H]2CCCO[C@H]21 ZINC000411811798 823607285 /nfs/dbraw/zinc/60/72/85/823607285.db2.gz YXYPKLFHEQQMSL-BRKWEVRTSA-N 1 0 398.572 4.137 20 0 GIADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1ccccc1OCCOc1ccccc1 ZINC000461262488 823607772 /nfs/dbraw/zinc/60/77/72/823607772.db2.gz JJJIIVXXYVDHEX-FQEVSTJZSA-N 1 0 396.531 4.091 20 0 GIADRO Cc1ccc(-n2nc(C(=O)N(C)CC[C@H]3CCCC[N@@H+]3C)c3c2CCCC3)cc1 ZINC000461263342 823608188 /nfs/dbraw/zinc/60/81/88/823608188.db2.gz LNQJDTQWQCSKTC-LJQANCHMSA-N 1 0 394.563 4.006 20 0 GIADRO COc1ccc([C@H]2CCN(C(=O)c3cccc(C[NH+]4CCCCC4)c3)C2)cc1 ZINC000411824535 823608888 /nfs/dbraw/zinc/60/88/88/823608888.db2.gz QQJPWULCWGOABY-QFIPXVFZSA-N 1 0 378.516 4.311 20 0 GIADRO O=C(CCOCC(F)(F)C(F)(F)F)Nc1ccc(-n2ccnc2)c(Cl)c1 ZINC000190789083 823609134 /nfs/dbraw/zinc/60/91/34/823609134.db2.gz BTYSXGRJWLXAKF-UHFFFAOYSA-N 1 0 397.731 4.069 20 0 GIADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)CCc1ncc(-c2ccccc2Cl)o1 ZINC000461268534 823609381 /nfs/dbraw/zinc/60/93/81/823609381.db2.gz UZBBURZCLLFGGK-INIZCTEOSA-N 1 0 389.927 4.260 20 0 GIADRO C[C@@H](c1ccco1)N(C)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000124597566 823609749 /nfs/dbraw/zinc/60/97/49/823609749.db2.gz YVYXSISXCJEEGM-HNNXBMFYSA-N 1 0 375.900 4.300 20 0 GIADRO C[NH+](C)CCCOc1ccc(NC(=O)N[C@@H]2CCOC3(CCCCC3)C2)cc1 ZINC000124599461 823609981 /nfs/dbraw/zinc/60/99/81/823609981.db2.gz APMFUJICINQUJS-LJQANCHMSA-N 1 0 389.540 4.021 20 0 GIADRO Cc1cc(N[C@@H](C)c2nc(C(C)(C)C)no2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000190794957 823609988 /nfs/dbraw/zinc/60/99/88/823609988.db2.gz WYMKJGODRZYSBH-KRWDZBQOSA-N 1 0 385.556 4.379 20 0 GIADRO Cc1cc(N[C@@H](C)C(=O)Nc2ccccc2C)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000190796338 823609996 /nfs/dbraw/zinc/60/99/96/823609996.db2.gz VPPJPSLYZSQZOP-FQEVSTJZSA-N 1 0 394.563 4.273 20 0 GIADRO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH+]1CCC(c2ccncn2)CC1 ZINC000411831182 823610043 /nfs/dbraw/zinc/61/00/43/823610043.db2.gz ALROLOZDXWIXCC-UHFFFAOYSA-N 1 0 395.938 4.371 20 0 GIADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1ccccc1OCc1ccc(F)cc1 ZINC000461272584 823610257 /nfs/dbraw/zinc/61/02/57/823610257.db2.gz PSDKWHXPSABZNA-FQEVSTJZSA-N 1 0 384.495 4.351 20 0 GIADRO CC[NH2+]Cc1ccccc1NC(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1 ZINC000124602931 823610437 /nfs/dbraw/zinc/61/04/37/823610437.db2.gz LWFLIZOKSWMSBF-UHFFFAOYSA-N 1 0 395.894 4.160 20 0 GIADRO CN(C[C@H]1OCCc2ccccc21)C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000411852577 823610969 /nfs/dbraw/zinc/61/09/69/823610969.db2.gz WUGHTEURFYHQRY-HSZRJFAPSA-N 1 0 378.516 4.059 20 0 GIADRO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCCOC[C@@H]2CCCO2)o1 ZINC000061743543 823611232 /nfs/dbraw/zinc/61/12/32/823611232.db2.gz LDURHJNPXJUXAH-NRFANRHFSA-N 1 0 395.503 4.116 20 0 GIADRO CCCN(CC[NH+](CC)CC)C(=O)c1csc(-c2ccc(OC)cc2)n1 ZINC000461283451 823611615 /nfs/dbraw/zinc/61/16/15/823611615.db2.gz RTKUEGBEPBEUNQ-UHFFFAOYSA-N 1 0 375.538 4.013 20 0 GIADRO CC(=O)Nc1ccc(F)c(NC(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)c1 ZINC000061749421 823611681 /nfs/dbraw/zinc/61/16/81/823611681.db2.gz KAVJVROQSCZLHX-NRFANRHFSA-N 1 0 398.482 4.051 20 0 GIADRO C[C@H](CNC(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1)C[NH+]1CCCC1 ZINC000124622650 823611987 /nfs/dbraw/zinc/61/19/87/823611987.db2.gz QMSYGNNQUOOPHD-QGZVFWFLSA-N 1 0 395.507 4.184 20 0 GIADRO CC[C@H]([NH2+]CC(=O)N1CCC[C@H]1c1ccc(OC)cc1OC)c1ccccc1 ZINC000411884337 823612678 /nfs/dbraw/zinc/61/26/78/823612678.db2.gz FFVBJNXREWIVPK-SFTDATJTSA-N 1 0 382.504 4.108 20 0 GIADRO CC[C@@H](NC(=O)Nc1ccc(OCC[NH+](CC)CC)cc1)c1c(C)noc1C ZINC000124636768 823613057 /nfs/dbraw/zinc/61/30/57/823613057.db2.gz SVQNZOJMDLEMEQ-LJQANCHMSA-N 1 0 388.512 4.285 20 0 GIADRO Cc1ccc(C(=O)N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c2ccccc12 ZINC000411894186 823613688 /nfs/dbraw/zinc/61/36/88/823613688.db2.gz PSOQKFIRELLDSJ-RTBURBONSA-N 1 0 380.532 4.110 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](C(=O)NC(C)C)C2)cc1Br ZINC000124645709 823613791 /nfs/dbraw/zinc/61/37/91/823613791.db2.gz KXLVKXRHEUYGMO-IMJJTQAJSA-N 1 0 397.357 4.192 20 0 GIADRO O=C(NCc1cc2ccccc2o1)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000061791368 823614729 /nfs/dbraw/zinc/61/47/29/823614729.db2.gz UPNKLEPOYXBESG-UHFFFAOYSA-N 1 0 395.528 4.346 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)c2nnc(-c3ccccc3)n2Cc2cccs2)[C@@H](C)C1 ZINC000461309372 823615136 /nfs/dbraw/zinc/61/51/36/823615136.db2.gz QOSMBBLUMYQGDP-PXNSSMCTSA-N 1 0 395.576 4.221 20 0 GIADRO CO[C@](C)([C@H](C)[NH2+]CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)C1CC1 ZINC000411935759 823615225 /nfs/dbraw/zinc/61/52/25/823615225.db2.gz BQJGKUVWPZSQIO-MGPLVRAMSA-N 1 0 378.822 4.091 20 0 GIADRO O=C(Nc1cccc(C[NH2+]Cc2c([O-])ccc(Cl)c2F)c1)c1ccncc1 ZINC000190842530 823615257 /nfs/dbraw/zinc/61/52/57/823615257.db2.gz GSCOKFXLPVSOEM-UHFFFAOYSA-N 1 0 385.826 4.122 20 0 GIADRO COc1ccc(NC(=O)[C@H]([NH2+][C@@H]2CC[C@H](OC)C2)c2ccccc2)cc1Cl ZINC000190847471 823615964 /nfs/dbraw/zinc/61/59/64/823615964.db2.gz MSMGGSDJYPABSU-OXFYSEKESA-N 1 0 388.895 4.186 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)c2cccnc2SCc2ccc(F)cc2)CC[N@@H+]1C ZINC000124671504 823615973 /nfs/dbraw/zinc/61/59/73/823615973.db2.gz PUGBFEGIGWQWRH-YJBOKZPZSA-N 1 0 387.524 4.068 20 0 GIADRO Cc1cc(C(F)(F)F)ccc1C[NH2+]Cc1ccc(CN2CCCC2=O)cc1 ZINC000190848316 823616125 /nfs/dbraw/zinc/61/61/25/823616125.db2.gz IKZHQXFXORALAE-UHFFFAOYSA-N 1 0 376.422 4.426 20 0 GIADRO CC(C)(C)c1ccccc1NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000190849494 823616238 /nfs/dbraw/zinc/61/62/38/823616238.db2.gz FEDALMOFKXVXCI-HXUWFJFHSA-N 1 0 395.547 4.397 20 0 GIADRO CC(C)(C)c1ccccc1NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000190849514 823616258 /nfs/dbraw/zinc/61/62/58/823616258.db2.gz FEDALMOFKXVXCI-FQEVSTJZSA-N 1 0 395.547 4.397 20 0 GIADRO Cc1cc(C)c(NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c(C)c1 ZINC000190849410 823616281 /nfs/dbraw/zinc/61/62/81/823616281.db2.gz QDGYJJROTLRMLH-NRFANRHFSA-N 1 0 381.520 4.024 20 0 GIADRO COc1ccc(-c2nc(C[NH2+][C@H](C)[C@](C)(OC)C3CC3)cs2)c(OC)c1 ZINC000411958216 823616777 /nfs/dbraw/zinc/61/67/77/823616777.db2.gz XBWLDWQDUMDROC-XCLFUZPHSA-N 1 0 376.522 4.121 20 0 GIADRO CO[C@](C)([C@H](C)[NH2+]Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C1CC1 ZINC000411970297 823617083 /nfs/dbraw/zinc/61/70/83/823617083.db2.gz MYUZKUPEANZYFJ-YEJXKQKISA-N 1 0 383.517 4.357 20 0 GIADRO CC[N@@H+]1CCCN(c2nnc(-c3ccc(C)c(F)c3)n2Cc2cccs2)CC1 ZINC000461319236 823617092 /nfs/dbraw/zinc/61/70/92/823617092.db2.gz VIVMVSFOJCPBPU-UHFFFAOYSA-N 1 0 399.539 4.034 20 0 GIADRO CO[C@@](C)([C@H](C)[NH2+]CC(=O)Nc1cc(Cl)c(Cl)cc1Cl)C1CC1 ZINC000411970641 823617213 /nfs/dbraw/zinc/61/72/13/823617213.db2.gz NNLGMLYSDBJOCJ-FVMDXXJSSA-N 1 0 379.715 4.379 20 0 GIADRO C[C@@H](c1ccc(C[N@@H+]2C[C@H](C(N)=O)[C@@H](c3ccccc3)C2)cc1)C(F)(F)F ZINC000411973416 823617260 /nfs/dbraw/zinc/61/72/60/823617260.db2.gz QIGLPHAJPQHGAJ-KYNGSXCRSA-N 1 0 376.422 4.053 20 0 GIADRO CO[C@](C)([C@@H](C)[NH2+]Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1)C1CC1 ZINC000411974820 823617395 /nfs/dbraw/zinc/61/73/95/823617395.db2.gz UUEJNSYFCORIFF-LRTDBIEQSA-N 1 0 383.517 4.357 20 0 GIADRO O=C(N[C@@H]1CCCC[C@@H]1Cc1ccccc1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000411983650 823617928 /nfs/dbraw/zinc/61/79/28/823617928.db2.gz GFJLKUBFXMIKMP-BHIFYINESA-N 1 0 386.605 4.122 20 0 GIADRO O=C(N[C@@H]1CCCC[C@H]1Cc1ccccc1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000411983648 823617994 /nfs/dbraw/zinc/61/79/94/823617994.db2.gz GFJLKUBFXMIKMP-BHDDXSALSA-N 1 0 386.605 4.122 20 0 GIADRO COc1ccc([C@H](C)[N@H+](C)Cc2cccc(C(=O)NCc3ccco3)c2)cc1 ZINC000124692579 823618030 /nfs/dbraw/zinc/61/80/30/823618030.db2.gz PXQJUAARFIYGGI-KRWDZBQOSA-N 1 0 378.472 4.411 20 0 GIADRO C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000411995360 823619180 /nfs/dbraw/zinc/61/91/80/823619180.db2.gz CRXONRCEKCTIJI-GCJKJVERSA-N 1 0 396.506 4.026 20 0 GIADRO O=C(C[C@H](c1ccc(O)cc1)C1CC1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000411995427 823619207 /nfs/dbraw/zinc/61/92/07/823619207.db2.gz DGQRBLJTGQJQDO-CVDCTZTESA-N 1 0 384.564 4.391 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)C(=O)Nc2c(C)cccc2C(C)C)cc1 ZINC000061974077 823620960 /nfs/dbraw/zinc/62/09/60/823620960.db2.gz IJXXUFVWUPFWSV-UHFFFAOYSA-N 1 0 395.547 4.215 20 0 GIADRO OCC1([C@H]([NH2+]CCCOc2cccc(Cl)c2)c2ccccc2)CCOCC1 ZINC000412014737 823622785 /nfs/dbraw/zinc/62/27/85/823622785.db2.gz YFRIDBNIRNLZLW-OAQYLSRUSA-N 1 0 389.923 4.229 20 0 GIADRO Cc1ccc2ncc(C[NH2+][C@H](c3ccccc3)C3(CO)CCOCC3)cc2c1 ZINC000412014726 823622815 /nfs/dbraw/zinc/62/28/15/823622815.db2.gz YFGOGMUDWUBOLI-HSZRJFAPSA-N 1 0 376.500 4.163 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1ccccc1C(C)C)c1ccsc1 ZINC000062110253 823623310 /nfs/dbraw/zinc/62/33/10/823623310.db2.gz JUCMIWURVWOISV-IBGZPJMESA-N 1 0 387.549 4.009 20 0 GIADRO FC(F)(F)CN1CCC([NH2+]Cc2cc(Br)c(Cl)s2)CC1 ZINC000190919456 823624560 /nfs/dbraw/zinc/62/45/60/823624560.db2.gz PZOSMOSYRHZSHY-UHFFFAOYSA-N 1 0 391.684 4.280 20 0 GIADRO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OCC2CC2)CC1 ZINC000412057797 823624779 /nfs/dbraw/zinc/62/47/79/823624779.db2.gz SBRFMLWWRFKWRE-LJQANCHMSA-N 1 0 376.928 4.106 20 0 GIADRO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(F)c(C(F)(F)F)c1 ZINC000062229279 823625053 /nfs/dbraw/zinc/62/50/53/823625053.db2.gz NNEFKCSFDZWFGM-MRXNPFEDSA-N 1 0 394.412 4.487 20 0 GIADRO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000062229902 823625130 /nfs/dbraw/zinc/62/51/30/823625130.db2.gz UQKCADGXNCNTSD-QRVBRYPASA-N 1 0 382.470 4.384 20 0 GIADRO OC1CN(Cc2ccc(C(F)F)cc2)CC[N@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000461374958 823625231 /nfs/dbraw/zinc/62/52/31/823625231.db2.gz LPZPNZFJLGAOFO-UHFFFAOYSA-N 1 0 396.428 4.241 20 0 GIADRO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1(c2cccc(Cl)c2)CC1 ZINC000062230498 823625273 /nfs/dbraw/zinc/62/52/73/823625273.db2.gz ZRHHNDVBNJZBFG-IBGZPJMESA-N 1 0 382.935 4.400 20 0 GIADRO CCOc1ccccc1CCC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000062231226 823625306 /nfs/dbraw/zinc/62/53/06/823625306.db2.gz ZKYRVYVJOLSHNO-OAQYLSRUSA-N 1 0 380.532 4.046 20 0 GIADRO C[C@H]([NH2+]C[C@@H](c1ccc(F)cc1)N(C)C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000124776630 823625397 /nfs/dbraw/zinc/62/53/97/823625397.db2.gz CSMVFKXYQFCFIX-BTYIYWSLSA-N 1 0 384.499 4.063 20 0 GIADRO Brc1cccc2c1OCCC[C@H]2[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000124779563 823625593 /nfs/dbraw/zinc/62/55/93/823625593.db2.gz GRGVHRFFIUIYEL-GOSISDBHSA-N 1 0 399.292 4.033 20 0 GIADRO C[C@H](c1nc(-c2cccnc2)no1)[N@@H+]1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC000412078738 823625941 /nfs/dbraw/zinc/62/59/41/823625941.db2.gz UUASAZDYAZLBSZ-CVEARBPZSA-N 1 0 386.496 4.027 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)c1csc([C@@H]2CCCO2)n1 ZINC000124786032 823626098 /nfs/dbraw/zinc/62/60/98/823626098.db2.gz WBDQWFUHKXOLKM-FQEVSTJZSA-N 1 0 399.560 4.301 20 0 GIADRO COc1cc(C[NH2+]Cc2ccccc2OCc2ccccc2)cc2c1OCCO2 ZINC000062254968 823626782 /nfs/dbraw/zinc/62/67/82/823626782.db2.gz VFZZPKAMBYHTGQ-UHFFFAOYSA-N 1 0 391.467 4.335 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2cccc(O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000412118570 823627651 /nfs/dbraw/zinc/62/76/51/823627651.db2.gz DSJNRCHTXZPKPM-ZZNFJVAJSA-N 1 0 378.516 4.007 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2CCN(c3c(C)cc(C)cc3C)C2=O)c1 ZINC000190941157 823627811 /nfs/dbraw/zinc/62/78/11/823627811.db2.gz JFPSNZKMQOJYQM-LAUBAEHRSA-N 1 0 379.504 4.026 20 0 GIADRO Cc1ccnc(Oc2ccc(NC(=O)NC3CC[NH+](C4CCCC4)CC3)cc2)n1 ZINC000124810278 823627953 /nfs/dbraw/zinc/62/79/53/823627953.db2.gz WWADYWDMAZITCV-UHFFFAOYSA-N 1 0 395.507 4.106 20 0 GIADRO C[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000412128609 823628566 /nfs/dbraw/zinc/62/85/66/823628566.db2.gz MJQOQTRSISCQGI-MRXNPFEDSA-N 1 0 398.469 4.098 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](c1ccc(F)cc1)N(C)C)c1ccc(-n2cncn2)cc1Cl ZINC000124833488 823629553 /nfs/dbraw/zinc/62/95/53/823629553.db2.gz JGHCAXCLBNZCIT-VLIAUNLRSA-N 1 0 387.890 4.013 20 0 GIADRO CO[C@]1(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)CCOC1 ZINC000461398838 823629543 /nfs/dbraw/zinc/62/95/43/823629543.db2.gz HUVCBZWFICHCTO-QFIPXVFZSA-N 1 0 397.906 4.088 20 0 GIADRO C[C@@H](C(=O)N1CCc2ccccc2C1)[NH+]1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000062367218 823629815 /nfs/dbraw/zinc/62/98/15/823629815.db2.gz LGORBBYGNGYFOD-SFHVURJKSA-N 1 0 387.527 4.321 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)Nc1cccc(Cl)c1F ZINC000062376721 823630812 /nfs/dbraw/zinc/63/08/12/823630812.db2.gz DAQOBHGSTYJSND-UHFFFAOYSA-N 1 0 385.817 4.353 20 0 GIADRO COc1cc(C)c(NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)cc1OC ZINC000062375711 823630904 /nfs/dbraw/zinc/63/09/04/823630904.db2.gz TZHGWFQKNGBXDV-UHFFFAOYSA-N 1 0 389.540 4.178 20 0 GIADRO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000412160997 823631689 /nfs/dbraw/zinc/63/16/89/823631689.db2.gz LANCEEWUJBEJEY-HNNXBMFYSA-N 1 0 398.469 4.287 20 0 GIADRO Cc1csc(C(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1Br ZINC000190970453 823632392 /nfs/dbraw/zinc/63/23/92/823632392.db2.gz NBKSJKHWWAUJSW-ZFWWWQNUSA-N 1 0 393.350 4.212 20 0 GIADRO CCNc1ccc(Cl)cc1C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000190970803 823632453 /nfs/dbraw/zinc/63/24/53/823632453.db2.gz ZMYHBGYRTXDQLK-HNNXBMFYSA-N 1 0 386.927 4.122 20 0 GIADRO C[C@@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)c1ccc(-c2ccncc2)cc1 ZINC000412170986 823632504 /nfs/dbraw/zinc/63/25/04/823632504.db2.gz ZSUDIINLCVDNRW-VGSWGCGISA-N 1 0 395.572 4.143 20 0 GIADRO C[C@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)c1ccc(-c2ccncc2)cc1 ZINC000412170981 823632510 /nfs/dbraw/zinc/63/25/10/823632510.db2.gz ZSUDIINLCVDNRW-JTSKRJEESA-N 1 0 395.572 4.143 20 0 GIADRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)Nc1cccc(-n2cccn2)c1 ZINC000062399139 823632636 /nfs/dbraw/zinc/63/26/36/823632636.db2.gz URXXYKABGQEYJV-UHFFFAOYSA-N 1 0 397.910 4.121 20 0 GIADRO CCOc1cccc(NC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)c1 ZINC000062402941 823632853 /nfs/dbraw/zinc/63/28/53/823632853.db2.gz USFWAPFHJVSVHB-UHFFFAOYSA-N 1 0 375.900 4.334 20 0 GIADRO O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N1CC=C(c2ccc(Cl)cc2)CC1 ZINC000412177310 823633064 /nfs/dbraw/zinc/63/30/64/823633064.db2.gz LPWVWZLXQDDFCA-FQEVSTJZSA-N 1 0 390.980 4.173 20 0 GIADRO Cc1ccc(CCCC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000461421468 823633105 /nfs/dbraw/zinc/63/31/05/823633105.db2.gz COWHWOYTQAJGML-SFTDATJTSA-N 1 0 382.573 4.360 20 0 GIADRO C[C@@]1(CCc2ccccc2)CCN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)C1 ZINC000412177616 823633149 /nfs/dbraw/zinc/63/31/49/823633149.db2.gz RPQQEMBRBAMFKI-FYYLOGMGSA-N 1 0 386.605 4.075 20 0 GIADRO CC(C)(C)[C@@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)c1ccc(F)cc1 ZINC000412179137 823633301 /nfs/dbraw/zinc/63/33/01/823633301.db2.gz XOYIQCQOMSYWCO-OALUTQOASA-N 1 0 378.557 4.247 20 0 GIADRO O=C(CCCc1cc(F)ccc1F)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461422824 823633399 /nfs/dbraw/zinc/63/33/99/823633399.db2.gz JRKPSUBFWSQDNE-NHCUHLMSSA-N 1 0 398.497 4.268 20 0 GIADRO Cc1ccc(-c2cccc(CNC(=O)C3CC[NH+]([C@@H]4CCSC4)CC3)c2)cc1 ZINC000412183642 823633582 /nfs/dbraw/zinc/63/35/82/823633582.db2.gz MLRWFCHTEGNBNM-HSZRJFAPSA-N 1 0 394.584 4.496 20 0 GIADRO O=C(c1cncc(-c2ccccc2)c1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461424663 823633745 /nfs/dbraw/zinc/63/37/45/823633745.db2.gz HXFBKDSEHOJPJG-WIOPSUGQSA-N 1 0 397.522 4.343 20 0 GIADRO COCCN(C)c1ccc(C[NH2+][C@@H](C)c2oc3ccc(OC)cc3c2C)cn1 ZINC000190980014 823633869 /nfs/dbraw/zinc/63/38/69/823633869.db2.gz IPPDRDRQTRNUMK-INIZCTEOSA-N 1 0 383.492 4.078 20 0 GIADRO CC1(C)Oc2ccc(NC(=O)NC3CC[NH+](CC4CCCCC4)CC3)cc2O1 ZINC000062411443 823633897 /nfs/dbraw/zinc/63/38/97/823633897.db2.gz VTCOOWPJMOOBPI-UHFFFAOYSA-N 1 0 387.524 4.360 20 0 GIADRO C[C@H](Cc1ccc(Cl)cc1)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461425406 823633975 /nfs/dbraw/zinc/63/39/75/823633975.db2.gz IXLRSIDAWBQZBA-BVYCBKJFSA-N 1 0 396.962 4.499 20 0 GIADRO O=C([C@@H]1CCC[C@H](C(F)(F)F)C1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461425453 823633995 /nfs/dbraw/zinc/63/39/95/823633995.db2.gz JCCDRVZKHGLUMG-WCIQWLHISA-N 1 0 394.481 4.336 20 0 GIADRO Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)cc1 ZINC000412191054 823634352 /nfs/dbraw/zinc/63/43/52/823634352.db2.gz JFHKVFCCBUIVTA-BHIFYINESA-N 1 0 386.605 4.307 20 0 GIADRO CCN(CC)[C@H](C[NH2+]Cc1c(C)nn(-c2ccc(F)cc2)c1C)c1ccco1 ZINC000062423675 823634964 /nfs/dbraw/zinc/63/49/64/823634964.db2.gz PCZATFFUHGMKQQ-OAQYLSRUSA-N 1 0 384.499 4.394 20 0 GIADRO CCOc1cc(C[NH2+]C[C@H](C)N2CCC(C)CC2)cc(Br)c1OC ZINC000062423583 823635049 /nfs/dbraw/zinc/63/50/49/823635049.db2.gz UVNDDYSLGXFDQB-HNNXBMFYSA-N 1 0 399.373 4.066 20 0 GIADRO COc1ccccc1[C@@H]1C[C@H]1C(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000412202617 823635383 /nfs/dbraw/zinc/63/53/83/823635383.db2.gz FFCQLBXLQXSICK-UZVYXBEXSA-N 1 0 392.543 4.216 20 0 GIADRO CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412205811 823635544 /nfs/dbraw/zinc/63/55/44/823635544.db2.gz ZKMXIDKBZZTGPI-FCHUYYIVSA-N 1 0 388.621 4.382 20 0 GIADRO O=C(CCSc1ccccc1F)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461432732 823636137 /nfs/dbraw/zinc/63/61/37/823636137.db2.gz VGXGHIAYWQELCK-VQTJNVASSA-N 1 0 398.547 4.288 20 0 GIADRO CSC1(C(=O)N2CCC([N@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000190995109 823636145 /nfs/dbraw/zinc/63/61/45/823636145.db2.gz VINGWVYRWKENCN-UHFFFAOYSA-N 1 0 386.483 4.024 20 0 GIADRO CCSc1ccc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000461433618 823636492 /nfs/dbraw/zinc/63/64/92/823636492.db2.gz WXDSTGYPOMHVEC-NHCUHLMSSA-N 1 0 380.557 4.393 20 0 GIADRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)NCCc1cccs1 ZINC000062465071 823636483 /nfs/dbraw/zinc/63/64/83/823636483.db2.gz MURYOHKWOQGKTD-UHFFFAOYSA-N 1 0 399.482 4.083 20 0 GIADRO CC[C@H](C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)c1ccc(OC)cc1 ZINC000461434421 823636612 /nfs/dbraw/zinc/63/66/12/823636612.db2.gz YWHQWNHYXBJBGQ-FIXSFTCYSA-N 1 0 392.543 4.169 20 0 GIADRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F)c1ccc(F)cc1F ZINC000062473405 823636867 /nfs/dbraw/zinc/63/68/67/823636867.db2.gz KIVJTJDYZPOGON-CYBMUJFWSA-N 1 0 397.416 4.077 20 0 GIADRO CC[NH+](CC)CCN(CC(C)C)C(=O)Nc1ccc(Oc2nccc(C)n2)cc1 ZINC000124918700 823636901 /nfs/dbraw/zinc/63/69/01/823636901.db2.gz CIJMNZOQYDNJKM-UHFFFAOYSA-N 1 0 399.539 4.409 20 0 GIADRO O=C([C@@H]1C[C@@H]1c1ccc(F)cc1F)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461436736 823637169 /nfs/dbraw/zinc/63/71/69/823637169.db2.gz DHUODJFNGUBMIR-MCEIDBOGSA-N 1 0 396.481 4.049 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]1C[C@@]1(F)c1ccccc1 ZINC000412225773 823637308 /nfs/dbraw/zinc/63/73/08/823637308.db2.gz HGACHWACXQXBEM-JTHBVZDNSA-N 1 0 381.495 4.031 20 0 GIADRO C[C@H](CCc1ccccc1F)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461438335 823637344 /nfs/dbraw/zinc/63/73/44/823637344.db2.gz LERGXVKGTAJSKR-PTUXOGIPSA-N 1 0 394.534 4.375 20 0 GIADRO O=C(CCn1ccc2ccccc21)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461439279 823637435 /nfs/dbraw/zinc/63/74/35/823637435.db2.gz QJAWYJIIFYGBAI-DHIUTWEWSA-N 1 0 387.527 4.012 20 0 GIADRO CC(C)[NH+]1CCC(NC(=O)N[C@H](COCc2ccccc2)c2ccccc2)CC1 ZINC000124925016 823637524 /nfs/dbraw/zinc/63/75/24/823637524.db2.gz CYXYCBRAUAKMPT-HSZRJFAPSA-N 1 0 395.547 4.117 20 0 GIADRO O=C(C/C=C/c1ccccc1F)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461440394 823637818 /nfs/dbraw/zinc/63/78/18/823637818.db2.gz XXAHEAHOCSKNND-IOZAGNAOSA-N 1 0 378.491 4.210 20 0 GIADRO O=C(c1cc2c(s1)CCCC2)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461441271 823638290 /nfs/dbraw/zinc/63/82/90/823638290.db2.gz FMFPGJSWKREBPF-PMACEKPBSA-N 1 0 380.557 4.221 20 0 GIADRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)NCc1cc2ccccc2o1 ZINC000062488260 823638407 /nfs/dbraw/zinc/63/84/07/823638407.db2.gz HQLRPHKURQNEDC-UHFFFAOYSA-N 1 0 385.895 4.360 20 0 GIADRO COC[C@@H](NC(=O)c1cccc(C[NH+]2CCCCC2)c1)c1ccc(F)c(F)c1 ZINC000412237436 823638514 /nfs/dbraw/zinc/63/85/14/823638514.db2.gz YCUQDASJVXZOSE-OAQYLSRUSA-N 1 0 388.458 4.068 20 0 GIADRO O=C(NCc1ccoc1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000062501595 823638881 /nfs/dbraw/zinc/63/88/81/823638881.db2.gz ZZAJRGSYVZSDES-UHFFFAOYSA-N 1 0 396.318 4.394 20 0 GIADRO O=C(N[C@H]1CC=C(c2ccc(F)cc2)CC1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412242248 823639004 /nfs/dbraw/zinc/63/90/04/823639004.db2.gz MCXMLAHTESSIJP-SFTDATJTSA-N 1 0 388.552 4.095 20 0 GIADRO Cc1ccc2[nH]c(C(=O)N3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@H]4C3)cc2c1C ZINC000461446750 823639495 /nfs/dbraw/zinc/63/94/95/823639495.db2.gz NLNZXPAKUXRPOC-SFTDATJTSA-N 1 0 387.527 4.379 20 0 GIADRO Cc1cc(F)cc2[nH]c(C(=O)N3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@H]4C3)cc21 ZINC000461447404 823639616 /nfs/dbraw/zinc/63/96/16/823639616.db2.gz IIGOUFZDLYQTDE-OALUTQOASA-N 1 0 391.490 4.210 20 0 GIADRO O=C(CCSCc1ccccc1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461448246 823639844 /nfs/dbraw/zinc/63/98/44/823639844.db2.gz NXMITYHMTDPDAA-XZOQPEGZSA-N 1 0 394.584 4.290 20 0 GIADRO Cc1cc(C(F)(F)F)ccc1CNc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000191031904 823640129 /nfs/dbraw/zinc/64/01/29/823640129.db2.gz KVDSBCCLZHQXRS-LJQANCHMSA-N 1 0 391.437 4.076 20 0 GIADRO CC(C)COc1ccc(C2(C(=O)N3CC[C@H](C[NH+]4CCCCC4)C3)CCC2)cc1 ZINC000461450064 823640221 /nfs/dbraw/zinc/64/02/21/823640221.db2.gz SECXSUJVQJSBPO-OAQYLSRUSA-N 1 0 398.591 4.478 20 0 GIADRO C[C@H](NC(=O)C[C@H](c1ccc(O)cc1)C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000412256417 823640555 /nfs/dbraw/zinc/64/05/55/823640555.db2.gz QXYICULVFRSXEB-OEOAZWSVSA-N 1 0 392.543 4.303 20 0 GIADRO C[C@H](Sc1ccccc1)C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461452865 823640671 /nfs/dbraw/zinc/64/06/71/823640671.db2.gz YMPNEJWVJHDFHV-CEWLAPEOSA-N 1 0 380.557 4.148 20 0 GIADRO Cc1cc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c(Cl)cc1F ZINC000461453186 823640715 /nfs/dbraw/zinc/64/07/15/823640715.db2.gz XBKYEBIOOBEUMZ-MSOLQXFVSA-N 1 0 386.898 4.382 20 0 GIADRO Cc1cc(C)cc(CCC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000461455416 823641322 /nfs/dbraw/zinc/64/13/22/823641322.db2.gz KGDIOURKBXDQKW-ZEQRLZLVSA-N 1 0 376.544 4.217 20 0 GIADRO Cc1c2cc(F)ccc2oc1C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461456284 823641514 /nfs/dbraw/zinc/64/15/14/823641514.db2.gz NXQHHMVVKPZGGH-RBUKOAKNSA-N 1 0 392.474 4.474 20 0 GIADRO C[C@H]1CCC[C@@H](CC(=O)NC2CC[NH+](CCOc3ccc(F)cc3)CC2)C1 ZINC000461456189 823641522 /nfs/dbraw/zinc/64/15/22/823641522.db2.gz ILZKJSKQYXSBOC-ZWKOTPCHSA-N 1 0 376.516 4.002 20 0 GIADRO COc1cc([C@@H](C)[NH2+]C[C@@H](O)C2CCCCC2)ccc1OCc1ccncc1 ZINC000191044165 823641569 /nfs/dbraw/zinc/64/15/69/823641569.db2.gz JNNHYTYOSAXPOF-DYESRHJHSA-N 1 0 384.520 4.261 20 0 GIADRO O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412267308 823641597 /nfs/dbraw/zinc/64/15/97/823641597.db2.gz HIYHZFBZGROPQX-PKTZIBPZSA-N 1 0 378.516 4.323 20 0 GIADRO COc1cc([C@@H](C)[NH2+]C[C@H](O)CC2CCCC2)ccc1OCc1ccncc1 ZINC000191043998 823641578 /nfs/dbraw/zinc/64/15/78/823641578.db2.gz QNJNHCDTSOENAR-DYESRHJHSA-N 1 0 384.520 4.261 20 0 GIADRO CSCc1cc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)ccc1F ZINC000461457731 823641727 /nfs/dbraw/zinc/64/17/27/823641727.db2.gz VIJHTGGMVKFGJQ-TZIWHRDSSA-N 1 0 398.547 4.283 20 0 GIADRO Cc1ccsc1CCCC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461458807 823641920 /nfs/dbraw/zinc/64/19/20/823641920.db2.gz VJFXQMNAQYHIIG-SFTDATJTSA-N 1 0 382.573 4.360 20 0 GIADRO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1csc(C(F)(F)F)n1 ZINC000461465861 823642911 /nfs/dbraw/zinc/64/29/11/823642911.db2.gz GLTBOOPMGRVKIR-HNNXBMFYSA-N 1 0 397.466 4.194 20 0 GIADRO CC(C)COc1ccccc1CNC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000062646893 823643373 /nfs/dbraw/zinc/64/33/73/823643373.db2.gz PMOGGEOKPFVZRI-UHFFFAOYSA-N 1 0 375.557 4.033 20 0 GIADRO Cc1cc(C(F)(F)F)ccc1C[NH+]1CCC(NC(=O)c2ccsc2)CC1 ZINC000191057769 823643571 /nfs/dbraw/zinc/64/35/71/823643571.db2.gz RIQBMHHJVMUFPA-UHFFFAOYSA-N 1 0 382.451 4.470 20 0 GIADRO C[C@@H](Oc1ccc(F)c(F)c1)C(=O)OCC1CC[NH+](Cc2ccccc2)CC1 ZINC000062677280 823643867 /nfs/dbraw/zinc/64/38/67/823643867.db2.gz IFFXUHMVBFVQCC-MRXNPFEDSA-N 1 0 389.442 4.188 20 0 GIADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1nnc(CC2CCCC2)n1Cc1cccs1 ZINC000461476750 823644572 /nfs/dbraw/zinc/64/45/72/823644572.db2.gz CAJABHWOZXNFLX-MJGOQNOKSA-N 1 0 399.608 4.184 20 0 GIADRO CCOc1cccc([C@@H](C)NC(=S)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000062699768 823644883 /nfs/dbraw/zinc/64/48/83/823644883.db2.gz FNXOMNRWNGDZNI-GOSISDBHSA-N 1 0 397.588 4.275 20 0 GIADRO CCCCN(C(=O)c1c[nH]c(=O)c2ccccc12)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000191073626 823645314 /nfs/dbraw/zinc/64/53/14/823645314.db2.gz OIPABEAULQYOBV-UHFFFAOYSA-N 1 0 383.536 4.080 20 0 GIADRO O=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412318761 823646014 /nfs/dbraw/zinc/64/60/14/823646014.db2.gz ZTBQVOJALKWUMG-RVKKMQEKSA-N 1 0 399.387 4.183 20 0 GIADRO Cc1ccc([C@H](C[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)N2CCCC2)cc1 ZINC000125027605 823646207 /nfs/dbraw/zinc/64/62/07/823646207.db2.gz FIUVIWXTOTVIGV-GPUOULLFSA-N 1 0 392.591 4.027 20 0 GIADRO CC[C@@H]([NH2+]C[C@H](O)c1cc(OC)ccc1OC)c1ccc(OC(F)F)cc1 ZINC000125032679 823646831 /nfs/dbraw/zinc/64/68/31/823646831.db2.gz SAWOSLXSDREPSK-MSOLQXFVSA-N 1 0 381.419 4.080 20 0 GIADRO CC[C@H](C(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C(C)C)[NH+](CC)CC ZINC000461490950 823647555 /nfs/dbraw/zinc/64/75/55/823647555.db2.gz QQYUUTJYBKQPPD-QGZVFWFLSA-N 1 0 392.931 4.247 20 0 GIADRO Cn1ccnc1[C@H](O)[C@@H]1CCC[N@H+](CCCCc2cccc(C(F)(F)F)c2)C1 ZINC000191092178 823647777 /nfs/dbraw/zinc/64/77/77/823647777.db2.gz APKQAFSJROQVIJ-IEBWSBKVSA-N 1 0 395.469 4.207 20 0 GIADRO COc1cccc(CN(CC[NH+](C)C)C(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000191094006 823648193 /nfs/dbraw/zinc/64/81/93/823648193.db2.gz GDWLQUXNWCTKEE-UHFFFAOYSA-N 1 0 395.425 4.310 20 0 GIADRO O=C(NC[C@H]1CCN(c2ccccc2F)C1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412352209 823649181 /nfs/dbraw/zinc/64/91/81/823649181.db2.gz CSIJWXPXKDWNMF-HXUWFJFHSA-N 1 0 395.522 4.068 20 0 GIADRO COc1ccc(OC)c([C@H](O)C[NH2+][C@@H](C)c2cccc(-c3ccncc3)c2)c1 ZINC000125065556 823649539 /nfs/dbraw/zinc/64/95/39/823649539.db2.gz ZMBFARBKBDEVFI-KSFYIVLOSA-N 1 0 378.472 4.150 20 0 GIADRO FC(F)Oc1ccccc1N1CC[C@H]([NH2+]Cc2ccc(Br)o2)C1 ZINC000191103262 823649555 /nfs/dbraw/zinc/64/95/55/823649555.db2.gz JKXWSXBFAXACLU-NSHDSACASA-N 1 0 387.224 4.012 20 0 GIADRO O=C(Cc1ccc(-n2cccc2)cc1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000063080297 823650344 /nfs/dbraw/zinc/65/03/44/823650344.db2.gz VIJVNMWPHBXOLN-UHFFFAOYSA-N 1 0 387.527 4.048 20 0 GIADRO O=C([C@@H]1C[C@H]1c1cccc(O)c1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000412369251 823650454 /nfs/dbraw/zinc/65/04/54/823650454.db2.gz VTSPQPKURLZXPQ-XZOQPEGZSA-N 1 0 390.527 4.010 20 0 GIADRO CCc1ccc(C(=O)CCC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000063081221 823650494 /nfs/dbraw/zinc/65/04/94/823650494.db2.gz ILGOHJLIBUHXMO-UHFFFAOYSA-N 1 0 392.543 4.240 20 0 GIADRO COCc1c2ccccc2oc1C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000063080879 823650547 /nfs/dbraw/zinc/65/05/47/823650547.db2.gz OFWCZDBDTMXSCY-UHFFFAOYSA-N 1 0 392.499 4.221 20 0 GIADRO O=C(CCCOc1cccc(F)c1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000063081768 823650672 /nfs/dbraw/zinc/65/06/72/823650672.db2.gz DPHSRCNBOPVJKO-UHFFFAOYSA-N 1 0 384.495 4.013 20 0 GIADRO COc1ccc([C@H](C[NH2+][C@@H](C)c2csc(Cl)c2)N2CCOCC2)cc1 ZINC000191115726 823650787 /nfs/dbraw/zinc/65/07/87/823650787.db2.gz PMQBETXPAFJAJK-KSSFIOAISA-N 1 0 380.941 4.134 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)c2nnc(-c3ccc(C)o3)n2Cc2cccs2)[C@H](C)C1 ZINC000461509564 823651186 /nfs/dbraw/zinc/65/11/86/823651186.db2.gz RTEIIYFGFGGUMS-QAPCUYQASA-N 1 0 399.564 4.123 20 0 GIADRO C[C@@H]1CN(C(=O)C[C@H](c2ccc(O)cc2)C2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000412385626 823651359 /nfs/dbraw/zinc/65/13/59/823651359.db2.gz WYBPZECVRBYFHV-CYFREDJKSA-N 1 0 392.543 4.256 20 0 GIADRO COCCCC(=O)N(Cc1ccc(Cl)c(Cl)c1)C[C@H](C(C)C)[NH+](C)C ZINC000063119221 823652086 /nfs/dbraw/zinc/65/20/86/823652086.db2.gz NSNOGYPRIFBORP-GOSISDBHSA-N 1 0 389.367 4.335 20 0 GIADRO C[NH+](C)CC1CCC(NC(=O)N[C@@H]2CCCc3cc(OC(F)F)ccc32)CC1 ZINC000125107941 823652184 /nfs/dbraw/zinc/65/21/84/823652184.db2.gz GMYYVKHAYFKZEZ-GSQSYGFSSA-N 1 0 395.494 4.085 20 0 GIADRO CC1(C)Oc2ccc(NC(=S)NC3CC[NH+](Cc4ccccc4)CC3)cc2O1 ZINC000063149485 823652985 /nfs/dbraw/zinc/65/29/85/823652985.db2.gz MCZQDTRZKLVTNT-UHFFFAOYSA-N 1 0 397.544 4.145 20 0 GIADRO CCCN(C(=S)NC1CC[NH+](C)CC1)[C@@H](C)c1ccccc1Br ZINC000063150675 823653156 /nfs/dbraw/zinc/65/31/56/823653156.db2.gz PRFQDZIHEIQXIU-AWEZNQCLSA-N 1 0 398.414 4.191 20 0 GIADRO O=C(NC[C@@H]1CCCC[C@@H]1c1ccccc1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412406489 823653813 /nfs/dbraw/zinc/65/38/13/823653813.db2.gz YJIGJTASOSQEIK-FDFHNCONSA-N 1 0 386.605 4.294 20 0 GIADRO C[C@@H]([NH2+]C1(CNCc2ccc(Br)o2)CCOCC1)c1ccccc1 ZINC000191153887 823654336 /nfs/dbraw/zinc/65/43/36/823654336.db2.gz QAPBUDZZOMTRIL-OAHLLOKOSA-N 1 0 393.325 4.032 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)C[C@H](c1cccs1)n1cccc1 ZINC000412421109 823654585 /nfs/dbraw/zinc/65/45/85/823654585.db2.gz SNUDRGLWTDGVTO-GOSISDBHSA-N 1 0 387.574 4.181 20 0 GIADRO COc1cccc(O[C@@H](C)C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2Cl)c1 ZINC000125144086 823654671 /nfs/dbraw/zinc/65/46/71/823654671.db2.gz JLNBCWAFYCZQDK-LSDHHAIUSA-N 1 0 386.883 4.047 20 0 GIADRO CC[NH+](CC)CCS[C@H](C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000461531411 823654843 /nfs/dbraw/zinc/65/48/43/823654843.db2.gz GYDDONBGHXGAEG-GFCCVEGCSA-N 1 0 399.532 4.490 20 0 GIADRO Cc1c([C@H](C)[NH2+]C2CCN(C(=O)c3ccccc3F)CC2)cnn1C(C)(C)C ZINC000191173368 823656097 /nfs/dbraw/zinc/65/60/97/823656097.db2.gz LTDPRIAGJKTPFQ-HNNXBMFYSA-N 1 0 386.515 4.041 20 0 GIADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)CCc2ccc(Br)cc2F)C1 ZINC000063242765 823656471 /nfs/dbraw/zinc/65/64/71/823656471.db2.gz GVXODZWKKXDXHR-OAHLLOKOSA-N 1 0 399.348 4.149 20 0 GIADRO CC[NH+](CC)CCSCC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000461548747 823657031 /nfs/dbraw/zinc/65/70/31/823657031.db2.gz ZCZDYUDNDMUGBB-LJQANCHMSA-N 1 0 380.554 4.168 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)NC1(c2ccc(F)cc2)CCC1 ZINC000063257562 823657594 /nfs/dbraw/zinc/65/75/94/823657594.db2.gz PCVKRRDEWOTZJM-UHFFFAOYSA-N 1 0 381.495 4.169 20 0 GIADRO Cc1c([C@@H](C)[NH2+]C[C@H](O)COc2ccc(C(F)(F)F)cc2)cnn1C(C)(C)C ZINC000191208649 823659249 /nfs/dbraw/zinc/65/92/49/823659249.db2.gz KSYVPKCSEGGPRJ-CJNGLKHVSA-N 1 0 399.457 4.056 20 0 GIADRO Cc1c([C@@H](C)[NH2+]C[C@H](O)COc2cccc(Cl)c2Cl)cnn1C(C)C ZINC000191211578 823659610 /nfs/dbraw/zinc/65/96/10/823659610.db2.gz QCNAYKYYDYQSKJ-OCCSQVGLSA-N 1 0 386.323 4.170 20 0 GIADRO O=C(c1ccc(Oc2cccnc2)cc1)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000063304399 823661318 /nfs/dbraw/zinc/66/13/18/823661318.db2.gz LTQAXDHHKUIBGL-FQEVSTJZSA-N 1 0 385.467 4.499 20 0 GIADRO CC(C)C[C@@H]([NH2+]Cc1ccccc1CS(=O)(=O)NC(C)C)c1cccs1 ZINC000125244257 823661888 /nfs/dbraw/zinc/66/18/88/823661888.db2.gz BYJUMEIBBZDHHH-LJQANCHMSA-N 1 0 394.606 4.453 20 0 GIADRO COc1ccc(SCCCC(=O)Nc2ccc(C[NH+](C)C)cc2F)cc1 ZINC000412555613 823661979 /nfs/dbraw/zinc/66/19/79/823661979.db2.gz CGLCAYIFXBGTIU-UHFFFAOYSA-N 1 0 376.497 4.407 20 0 GIADRO Cc1ccccc1-n1nc(C(=O)Nc2ccc(C[NH+](C)C)cc2F)c2c1CCC2 ZINC000412557848 823662126 /nfs/dbraw/zinc/66/21/26/823662126.db2.gz JXARBDRVZDMTPK-UHFFFAOYSA-N 1 0 392.478 4.122 20 0 GIADRO Cc1noc(C)c1COc1ccccc1C(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000412557756 823662142 /nfs/dbraw/zinc/66/21/42/823662142.db2.gz JICRORYPXXYMKF-UHFFFAOYSA-N 1 0 397.450 4.323 20 0 GIADRO Cc1cc(C)n(Cc2cccc(C(=O)Nc3ccc(C[NH+](C)C)cc3F)c2)n1 ZINC000412559235 823662189 /nfs/dbraw/zinc/66/21/89/823662189.db2.gz MWRQKFMOPOBUOG-UHFFFAOYSA-N 1 0 380.467 4.001 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)c1ccc(C(C)(C)C)cc1)c1ccc(N2CCOC2=O)cc1 ZINC000125249449 823662314 /nfs/dbraw/zinc/66/23/14/823662314.db2.gz DSPPSJLZNXKTAV-HRAATJIYSA-N 1 0 382.504 4.325 20 0 GIADRO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@H]1CC[C@H](C)c2ccccc21 ZINC000125251690 823662442 /nfs/dbraw/zinc/66/24/42/823662442.db2.gz XQTOJCVFKXYUQH-JTSKRJEESA-N 1 0 386.561 4.243 20 0 GIADRO C[C@H](C(=O)Nc1ccc(C[NH+](C)C)cc1F)c1ccc(Br)s1 ZINC000412562315 823662565 /nfs/dbraw/zinc/66/25/65/823662565.db2.gz WJASVPYQVGPVPD-JTQLQIEISA-N 1 0 385.302 4.454 20 0 GIADRO O=C(NCc1ccc(-c2ccccc2)o1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000063332951 823663436 /nfs/dbraw/zinc/66/34/36/823663436.db2.gz GBYBQXHMSVZTHZ-UHFFFAOYSA-N 1 0 381.520 4.400 20 0 GIADRO C[C@H](c1cc(F)ccc1F)N(C)C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000063332973 823663511 /nfs/dbraw/zinc/66/35/11/823663511.db2.gz FBBBPAOEVQEQRJ-OAHLLOKOSA-N 1 0 379.495 4.322 20 0 GIADRO C[C@@H](OCCCNC(=O)NC1CC[NH+](CC2CCCC2)CC1)c1ccccc1 ZINC000063332152 823663544 /nfs/dbraw/zinc/66/35/44/823663544.db2.gz WJEBIEWQIJQFJF-LJQANCHMSA-N 1 0 387.568 4.108 20 0 GIADRO Cc1ccc(Br)cc1CC(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000412570435 823663542 /nfs/dbraw/zinc/66/35/42/823663542.db2.gz IICRTWYFHFYRCQ-UHFFFAOYSA-N 1 0 379.273 4.139 20 0 GIADRO CN(CCOc1ccc(Cl)cc1)C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000063333773 823663650 /nfs/dbraw/zinc/66/36/50/823663650.db2.gz SNYDCVPLNYPWCO-UHFFFAOYSA-N 1 0 393.959 4.015 20 0 GIADRO COc1ccccc1C(C)(C)CNC(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000063334321 823663662 /nfs/dbraw/zinc/66/36/62/823663662.db2.gz RTSDALHESOOLDB-UHFFFAOYSA-N 1 0 397.563 4.312 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)CCCc1ccccc1Cl ZINC000412575355 823663867 /nfs/dbraw/zinc/66/38/67/823663867.db2.gz OPWHCHISEROKCX-UHFFFAOYSA-N 1 0 390.911 4.250 20 0 GIADRO COCC[N@H+](CCC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc(C)o1 ZINC000125291334 823665386 /nfs/dbraw/zinc/66/53/86/823665386.db2.gz KAGHSLSRKLHSPR-UHFFFAOYSA-N 1 0 385.291 4.372 20 0 GIADRO Cc1cccc(C)c1NC(=S)NN=C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000063357783 823665447 /nfs/dbraw/zinc/66/54/47/823665447.db2.gz VQBUNGAEUFSBAL-UHFFFAOYSA-N 1 0 391.544 4.114 20 0 GIADRO Cc1ccc(C[C@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)c2ccccn2)cc1 ZINC000125292652 823665529 /nfs/dbraw/zinc/66/55/29/823665529.db2.gz PGHLAAYTXFIASS-BBHUYCHWSA-N 1 0 394.563 4.093 20 0 GIADRO Cc1c([C@@H](C)[NH2+]CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cnn1C(C)(C)C ZINC000191274921 823666251 /nfs/dbraw/zinc/66/62/51/823666251.db2.gz CJIHWZCWXNBVHT-NVXWUHKLSA-N 1 0 378.561 4.244 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)Nc3ccc(C)cc3F)CC2)cc1 ZINC000063388964 823666345 /nfs/dbraw/zinc/66/63/45/823666345.db2.gz PMJRLYHXYWSHKJ-UHFFFAOYSA-N 1 0 385.483 4.176 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccc(C(C)(C)C)cc2)cc1NC(C)=O ZINC000125310491 823666916 /nfs/dbraw/zinc/66/69/16/823666916.db2.gz ZAEJHELSMOPPDO-VFNWGFHPSA-N 1 0 384.520 4.335 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)Nc3ccc(C)cc3OC)CC2)cc1 ZINC000063393339 823667293 /nfs/dbraw/zinc/66/72/93/823667293.db2.gz IBVNVFJTBRQISU-UHFFFAOYSA-N 1 0 397.519 4.046 20 0 GIADRO O=C(N[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412615905 823667571 /nfs/dbraw/zinc/66/75/71/823667571.db2.gz UWIAMRNSQRZUEV-DFQSSKMNSA-N 1 0 392.996 4.310 20 0 GIADRO CSc1nnc(CCC[NH2+][C@H](C)c2cnn(C(C)(C)C)c2C)n1CC(C)C ZINC000191287016 823667643 /nfs/dbraw/zinc/66/76/43/823667643.db2.gz UMLRRCLOGOFWLZ-OAHLLOKOSA-N 1 0 392.617 4.199 20 0 GIADRO Cc1ccc(-n2cccn2)cc1NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000191292261 823668295 /nfs/dbraw/zinc/66/82/95/823668295.db2.gz OCOVJJJTEFXXTJ-UHFFFAOYSA-N 1 0 381.524 4.099 20 0 GIADRO Cc1c([C@@H](C)[NH2+][C@@H]2CCN(c3ccccc3OC(F)F)C2)cnn1C(C)(C)C ZINC000191294129 823668359 /nfs/dbraw/zinc/66/83/59/823668359.db2.gz XWOWYVPKZCPARL-GDBMZVCRSA-N 1 0 392.494 4.477 20 0 GIADRO O=C1Nc2ccccc2C12CCC([NH2+]CCCOCCc1ccccc1)CC2 ZINC000125330567 823668459 /nfs/dbraw/zinc/66/84/59/823668459.db2.gz DMZUJEKKNLLIFJ-UHFFFAOYSA-N 1 0 378.516 4.058 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)N(C)C3CCC(C)CC3)CC2)cc1 ZINC000063407324 823668829 /nfs/dbraw/zinc/66/88/29/823668829.db2.gz FDFOKPFXNARWCU-UHFFFAOYSA-N 1 0 387.568 4.127 20 0 GIADRO C[C@@H](CNC(=O)Nc1cccc(C2SCCS2)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000125336778 823668842 /nfs/dbraw/zinc/66/88/42/823668842.db2.gz QHDHBBNIUHFSQV-GJZGRUSLSA-N 1 0 379.595 4.407 20 0 GIADRO COc1ccccc1C(C)(C)CNC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000063408716 823669045 /nfs/dbraw/zinc/66/90/45/823669045.db2.gz PQSRMXBWWHVLGS-UHFFFAOYSA-N 1 0 395.547 4.068 20 0 GIADRO Cc1c([C@@H](C)NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)cnn1C(C)(C)C ZINC000191300599 823669086 /nfs/dbraw/zinc/66/90/86/823669086.db2.gz VIAKBMIXPWFZLN-RTBURBONSA-N 1 0 398.595 4.497 20 0 GIADRO Cc1ccc([C@H](CNC(=O)Nc2cc(-n3cccn3)ccc2C)[NH+]2CCCC2)o1 ZINC000191303863 823669180 /nfs/dbraw/zinc/66/91/80/823669180.db2.gz VOEKRLWPAINBMO-FQEVSTJZSA-N 1 0 393.491 4.041 20 0 GIADRO COCCN(C)c1ccc(C[NH2+][C@@H](c2ccc(F)cc2F)C(C)(C)C)cn1 ZINC000191318052 823671045 /nfs/dbraw/zinc/67/10/45/823671045.db2.gz XAOOUQIITGABJC-FQEVSTJZSA-N 1 0 377.479 4.319 20 0 GIADRO CC(=O)c1cccc(O[C@H](C)C(=O)OCC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000063436269 823671139 /nfs/dbraw/zinc/67/11/39/823671139.db2.gz OWCOEEHOKDZTFE-LJQANCHMSA-N 1 0 395.499 4.112 20 0 GIADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1sc(COc2ccc(F)cc2)nc1C ZINC000461614602 823671235 /nfs/dbraw/zinc/67/12/35/823671235.db2.gz PXHIREWMRAUTSI-CQSZACIVSA-N 1 0 393.528 4.020 20 0 GIADRO CC(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)c1 ZINC000125384601 823672352 /nfs/dbraw/zinc/67/23/52/823672352.db2.gz XVGSBDQQRHXDFF-QWHCGFSZSA-N 1 0 376.403 4.168 20 0 GIADRO COc1ccc([C@@H](C)NC(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cc1F ZINC000063463780 823673023 /nfs/dbraw/zinc/67/30/23/823673023.db2.gz ALVZAZPKSWFGTB-XLIONFOSSA-N 1 0 399.510 4.249 20 0 GIADRO CN(Cc1cccc(Cl)c1)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000063464641 823673414 /nfs/dbraw/zinc/67/34/14/823673414.db2.gz VJIFZKXVCLJUMT-HXUWFJFHSA-N 1 0 385.939 4.394 20 0 GIADRO COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)c1 ZINC000191339975 823673984 /nfs/dbraw/zinc/67/39/84/823673984.db2.gz OOAVHQHXLNTIRA-IRLDBZIGSA-N 1 0 394.515 4.084 20 0 GIADRO O=C(CC[N@H+](CCc1ccccc1)Cc1cccnc1)N1CCc2ccccc2C1 ZINC000191346431 823674680 /nfs/dbraw/zinc/67/46/80/823674680.db2.gz FTPHCBVGHYWMIL-UHFFFAOYSA-N 1 0 399.538 4.101 20 0 GIADRO C[C@H](c1ccccc1Br)N(C)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000125428744 823675436 /nfs/dbraw/zinc/67/54/36/823675436.db2.gz SVDTWBUGOQRBPZ-QQFBHYJXSA-N 1 0 396.373 4.272 20 0 GIADRO CCS(=O)(=O)c1ccc2oc(C[NH2+][C@H]3CCC[C@@H]3Cc3ccccc3)nc2c1 ZINC000191356051 823675920 /nfs/dbraw/zinc/67/59/20/823675920.db2.gz INICURHTMLTTSZ-MJGOQNOKSA-N 1 0 398.528 4.122 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1cc2ccccc2o1)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000191363881 823676806 /nfs/dbraw/zinc/67/68/06/823676806.db2.gz KIRCLJCRVMJOQC-GJZGRUSLSA-N 1 0 380.444 4.272 20 0 GIADRO Cc1cc2nn(CN3CCC([NH+]4CCCCC4)CC3)c(=S)n2c2ccccc12 ZINC000063506921 823676895 /nfs/dbraw/zinc/67/68/95/823676895.db2.gz BRBVFURXZAFFFK-UHFFFAOYSA-N 1 0 395.576 4.235 20 0 GIADRO C[C@@H](c1ccccc1Cl)[N@H+](C[C@H](O)COc1ccc2c(c1)OCO2)C1CC1 ZINC000063507962 823676946 /nfs/dbraw/zinc/67/69/46/823676946.db2.gz VMPQTQHCRPJKMG-HOCLYGCPSA-N 1 0 389.879 4.034 20 0 GIADRO O=C(c1cccc(C[NH+]2CCCC2)c1)N1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412709334 823677104 /nfs/dbraw/zinc/67/71/04/823677104.db2.gz KHENRWDPRYXABU-QHCPKHFHSA-N 1 0 390.527 4.276 20 0 GIADRO CC(C)(C)CC(C)(C)[NH2+]CC(=O)Nc1ccnn1Cc1ccccc1Cl ZINC000063511843 823677262 /nfs/dbraw/zinc/67/72/62/823677262.db2.gz VTYOGJZPRNZNHF-UHFFFAOYSA-N 1 0 376.932 4.328 20 0 GIADRO CC(C)c1ccc([C@@H]2CCC[N@@H+]2C[C@H](O)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000125459640 823677931 /nfs/dbraw/zinc/67/79/31/823677931.db2.gz IJCNWUBNLWJCGH-VXKWHMMOSA-N 1 0 387.545 4.084 20 0 GIADRO CN1CC[NH+]([C@H]2CCCCN(C(=O)Nc3ccccc3-c3cccs3)C2)CC1 ZINC000125480427 823679622 /nfs/dbraw/zinc/67/96/22/823679622.db2.gz HCAZDXKFJFKHJK-SFHVURJKSA-N 1 0 398.576 4.049 20 0 GIADRO S=C(NCc1cccc2ccccc21)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000063563668 823679694 /nfs/dbraw/zinc/67/96/94/823679694.db2.gz VCQUEMLDKPQUPS-UHFFFAOYSA-N 1 0 389.568 4.469 20 0 GIADRO C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccccc2C(=O)c2ccccc2)CC1 ZINC000125493013 823680603 /nfs/dbraw/zinc/68/06/03/823680603.db2.gz ZNRGGSNUQWTPGZ-GOSISDBHSA-N 1 0 376.500 4.007 20 0 GIADRO C[C@@H]([NH2+]C[C@]1(CCO)CCOC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000125494977 823680753 /nfs/dbraw/zinc/68/07/53/823680753.db2.gz QWBDJQOZMVZTFQ-ABAIWWIYSA-N 1 0 385.348 4.164 20 0 GIADRO O=C(CC[NH+]1CCC(OC2CCCCC2)CC1)NCc1ccccc1Cl ZINC000125500764 823681003 /nfs/dbraw/zinc/68/10/03/823681003.db2.gz CJSRSYFXXNITJB-UHFFFAOYSA-N 1 0 378.944 4.160 20 0 GIADRO Cc1ccccc1[C@@H](OC[C@H](O)C[N@@H+](C(C)C)C1CCOCC1)c1ccccc1 ZINC000125503044 823681258 /nfs/dbraw/zinc/68/12/58/823681258.db2.gz JAMRDYLAFLGECQ-NOZRDPDXSA-N 1 0 397.559 4.351 20 0 GIADRO CC(C)Oc1ccc([C@H](O)C[NH2+][C@@H](C)c2cnn(Cc3ccccc3)c2)cc1 ZINC000125511503 823681739 /nfs/dbraw/zinc/68/17/39/823681739.db2.gz TYLCKKYJNKDYIH-FDDCHVKYSA-N 1 0 379.504 4.103 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)N[C@H]2COc3cccc(Cl)c32)C1 ZINC000461697364 823683143 /nfs/dbraw/zinc/68/31/43/823683143.db2.gz CWHZYGVCDSADNO-RYRKJORJSA-N 1 0 391.943 4.070 20 0 GIADRO CC[N@@H+]1CCC[C@H]1CNC(=S)NC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000063676099 823688659 /nfs/dbraw/zinc/68/86/59/823688659.db2.gz WMOYPPRUSQKLGN-IBGZPJMESA-N 1 0 389.515 4.003 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)[C@H]1Cc2ccccc2S1 ZINC000063679622 823689012 /nfs/dbraw/zinc/68/90/12/823689012.db2.gz UDGFAFWZKSWZRU-JOCHJYFZSA-N 1 0 380.557 4.396 20 0 GIADRO Cc1cc(CSc2ccccc2C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)on1 ZINC000063694036 823689806 /nfs/dbraw/zinc/68/98/06/823689806.db2.gz PXLYQSYEUKLKEC-KRWDZBQOSA-N 1 0 387.549 4.126 20 0 GIADRO CCN(CCC[NH+](C)C)C(=O)Nc1cc(Cl)ccc1-c1nc(C2CC2)no1 ZINC000191488151 823690396 /nfs/dbraw/zinc/69/03/96/823690396.db2.gz ZXSCQUBYMPWYTA-UHFFFAOYSA-N 1 0 391.903 4.073 20 0 GIADRO CC(C)c1ccc(-c2ncc(C[N@@H+]3CCCC[C@H]3[C@H]3CNC(=O)C3)s2)cc1 ZINC000125618067 823690442 /nfs/dbraw/zinc/69/04/42/823690442.db2.gz DXJWGIYOVXDLBW-QUCCMNQESA-N 1 0 383.561 4.424 20 0 GIADRO Cc1c([C@H](C)[NH2+]CC2(C)CCN(C(=O)OC(C)(C)C)CC2)cnn1C(C)C ZINC000191496268 823691425 /nfs/dbraw/zinc/69/14/25/823691425.db2.gz KYGOUEFGMKYHSN-INIZCTEOSA-N 1 0 378.561 4.460 20 0 GIADRO CC(C)(C)[N@@H+]1CCCN(C(=O)CCCCc2ccc(Br)cc2)CC1 ZINC000063722389 823691452 /nfs/dbraw/zinc/69/14/52/823691452.db2.gz ZGCLRJDVJDYYAF-UHFFFAOYSA-N 1 0 395.385 4.495 20 0 GIADRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2cc(-c3ccco3)nn2-c2ccccc2)CC1 ZINC000063724082 823691787 /nfs/dbraw/zinc/69/17/87/823691787.db2.gz VBGLOEACTOSZOP-UHFFFAOYSA-N 1 0 392.503 4.079 20 0 GIADRO CCCn1ccnc1CCC[N@H+](C)[C@@H](C)C(=O)Nc1c(C)cc(C)cc1Cl ZINC000191498272 823691884 /nfs/dbraw/zinc/69/18/84/823691884.db2.gz OFGLLYDEBOIMGN-KRWDZBQOSA-N 1 0 390.959 4.455 20 0 GIADRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(NC(=O)[C@@H]3CCCO3)c1)CCS2 ZINC000191501293 823692017 /nfs/dbraw/zinc/69/20/17/823692017.db2.gz GTAHNEYKMZONEM-PMACEKPBSA-N 1 0 398.528 4.139 20 0 GIADRO COc1cc(C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cc(Cl)c1OCC(C)C ZINC000063727070 823692180 /nfs/dbraw/zinc/69/21/80/823692180.db2.gz NQAYWVOGMAINLE-UHFFFAOYSA-N 1 0 396.959 4.330 20 0 GIADRO CC[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)C1 ZINC000125639390 823692458 /nfs/dbraw/zinc/69/24/58/823692458.db2.gz OPJPHYSFONYILU-QGZVFWFLSA-N 1 0 395.503 4.008 20 0 GIADRO CCCn1ccnc1CCC[N@H+](C)CC(=O)N[C@H](C)c1cccc2ccccc21 ZINC000191505445 823692892 /nfs/dbraw/zinc/69/28/92/823692892.db2.gz RMNOJBNJDMGTOL-LJQANCHMSA-N 1 0 392.547 4.188 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(OC(F)(F)F)cc1)c1ccc(-n2ccnc2)cc1 ZINC000125646717 823693069 /nfs/dbraw/zinc/69/30/69/823693069.db2.gz PWJFFNZOTQJPDA-AUUYWEPGSA-N 1 0 391.393 4.155 20 0 GIADRO CC[C@H](C(=O)NC(c1cccc(OC)c1)c1cccc(OC)c1)[NH+](CC)CC ZINC000461764735 823693142 /nfs/dbraw/zinc/69/31/42/823693142.db2.gz KIRWHIIOXQEWGZ-OAQYLSRUSA-N 1 0 384.520 4.030 20 0 GIADRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1scnc1C1CC1 ZINC000125649210 823693282 /nfs/dbraw/zinc/69/32/82/823693282.db2.gz PRGYAEOOSQEUON-UHFFFAOYSA-N 1 0 397.466 4.243 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCN(Cc3ccccn3)C[C@@H]1C)CCS2 ZINC000191515623 823694242 /nfs/dbraw/zinc/69/42/42/823694242.db2.gz QJFNNYDWJCWIAN-ORYQWCPZSA-N 1 0 383.561 4.127 20 0 GIADRO CC(C)(C)C[C@@H](O)C[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000191515882 823694393 /nfs/dbraw/zinc/69/43/93/823694393.db2.gz STDZVOBAGFVPGD-QZTJIDSGSA-N 1 0 384.358 4.304 20 0 GIADRO CCc1c(C(=O)N(C)CC[N@H+](C)C2CCCCC2)cnn1-c1ccc(C)cc1 ZINC000063771435 823694472 /nfs/dbraw/zinc/69/44/72/823694472.db2.gz SZEJPQKFCMSHHZ-UHFFFAOYSA-N 1 0 382.552 4.080 20 0 GIADRO COc1cc(C(=O)N(C)CC[N@H+](C)C2CCCCC2)ccc1OC1CCCC1 ZINC000063771189 823694569 /nfs/dbraw/zinc/69/45/69/823694569.db2.gz RJFBIZIVSXVIIX-UHFFFAOYSA-N 1 0 388.552 4.353 20 0 GIADRO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1cc(Br)ccc1Cl ZINC000063772041 823694719 /nfs/dbraw/zinc/69/47/19/823694719.db2.gz HCJOBOCPSJJNLP-UHFFFAOYSA-N 1 0 387.749 4.439 20 0 GIADRO O=C(NC1CC1)[C@@H](NCc1ccc(C[NH+]2CCCCCC2)cc1)c1ccccc1 ZINC000063774038 823694921 /nfs/dbraw/zinc/69/49/21/823694921.db2.gz NNONHKNPUWFABV-DEOSSOPVSA-N 1 0 391.559 4.172 20 0 GIADRO CCC[C@@H](CC)[NH2+][C@@H](c1ccc(OC)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000125676256 823695637 /nfs/dbraw/zinc/69/56/37/823695637.db2.gz RBYBBCZLUGWION-NQIIRXRSSA-N 1 0 375.534 4.356 20 0 GIADRO CC1(C)CC[C@H](NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)c2ccccc21 ZINC000063787911 823696049 /nfs/dbraw/zinc/69/60/49/823696049.db2.gz RONOISPGNUKOGF-QFIPXVFZSA-N 1 0 392.547 4.158 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+][C@@H](CO)c1cccc(Br)c1)CCS2 ZINC000191534865 823697010 /nfs/dbraw/zinc/69/70/10/823697010.db2.gz PHSNYCOCKZTSRW-SJORKVTESA-N 1 0 394.334 4.318 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCN(Cc3ccccc3)C1=O)CCS2 ZINC000191538968 823697579 /nfs/dbraw/zinc/69/75/79/823697579.db2.gz XOKYHZZTFCHMQK-WOJBJXKFSA-N 1 0 382.529 4.013 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1ccccc1NC(=O)c1cccs1)C1CCCCC1 ZINC000063804261 823698313 /nfs/dbraw/zinc/69/83/13/823698313.db2.gz BAICZLYGPNFZPB-IBGZPJMESA-N 1 0 399.560 4.241 20 0 GIADRO CC(C)c1ccc(-c2nnc(SCCCN3CC[NH+](C(C)C)CC3)o2)cc1 ZINC000412989808 823698402 /nfs/dbraw/zinc/69/84/02/823698402.db2.gz DDUFEZNUZDLHCQ-UHFFFAOYSA-N 1 0 388.581 4.368 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1[nH]c2ccc(Br)cc2c1Cl ZINC000063812551 823699009 /nfs/dbraw/zinc/69/90/09/823699009.db2.gz CCASQHAVXWVKNK-NSHDSACASA-N 1 0 398.732 4.188 20 0 GIADRO c1nnc(SCc2cccc(C[NH+]3CCCCC3)c2)n1CCc1ccccn1 ZINC000412995156 823699085 /nfs/dbraw/zinc/69/90/85/823699085.db2.gz QJTQBFQFUPGULY-UHFFFAOYSA-N 1 0 393.560 4.194 20 0 GIADRO CCOC(=O)c1csc(CC[NH2+][C@@H]2CCCOc3c(Cl)cccc32)n1 ZINC000191555722 823699278 /nfs/dbraw/zinc/69/92/78/823699278.db2.gz QAVNDWNFNXJVBZ-CQSZACIVSA-N 1 0 380.897 4.019 20 0 GIADRO Cn1c(SCc2cccc(C[NH+]3CCCCC3)c2)nnc1-c1ccccn1 ZINC000412999854 823699471 /nfs/dbraw/zinc/69/94/71/823699471.db2.gz MHVKUAWNHHDVDZ-UHFFFAOYSA-N 1 0 379.533 4.155 20 0 GIADRO CCOC(=O)c1csc(CC[NH2+][C@@H]2CCSc3ccc(Cl)cc32)n1 ZINC000191561032 823699937 /nfs/dbraw/zinc/69/99/37/823699937.db2.gz BKJCRYYAXLCCTH-CYBMUJFWSA-N 1 0 382.938 4.342 20 0 GIADRO CCOC(=O)c1csc(CC[NH2+][C@H]2CCc3c2ccc(Cl)c3Cl)n1 ZINC000191562194 823699982 /nfs/dbraw/zinc/69/99/82/823699982.db2.gz QHALEELCPCGAAB-ZDUSSCGKSA-N 1 0 385.316 4.446 20 0 GIADRO CCCN(C(=O)Cc1cccc(OCc2cccc(C)c2)c1)C1CC[NH2+]CC1 ZINC000163296978 823700202 /nfs/dbraw/zinc/70/02/02/823700202.db2.gz JZQSVNJFVWUSHR-UHFFFAOYSA-N 1 0 380.532 4.107 20 0 GIADRO Cc1nn(-c2ccccc2C)c2sc(C(=O)N(C)CC3CC[NH+](C)CC3)cc12 ZINC000163301614 823700420 /nfs/dbraw/zinc/70/04/20/823700420.db2.gz GXVXZMJRYFVJAM-UHFFFAOYSA-N 1 0 396.560 4.118 20 0 GIADRO Cc1c([C@@H](C)NC[C@H]2CCC[N@@H+](C(C)C)C2)nnn1-c1cccc(Cl)c1 ZINC000125732041 823701490 /nfs/dbraw/zinc/70/14/90/823701490.db2.gz GMXUKBBNJONQOF-NVXWUHKLSA-N 1 0 375.948 4.000 20 0 GIADRO CC1CC[NH+](CCCCNC(=O)N[C@@H](c2cccc(F)c2)c2ccccn2)CC1 ZINC000125735733 823701930 /nfs/dbraw/zinc/70/19/30/823701930.db2.gz CWTYZWXFEVKGAK-QFIPXVFZSA-N 1 0 398.526 4.121 20 0 GIADRO CCOC(=O)c1csc(C2CC[NH+](Cc3cccc4cccnc43)CC2)n1 ZINC000191572341 823702347 /nfs/dbraw/zinc/70/23/47/823702347.db2.gz ZTRASUJLTPGZDN-UHFFFAOYSA-N 1 0 381.501 4.248 20 0 GIADRO CS(=O)(=O)Cc1ccc(C[NH2+][C@H]2CCSc3ccc(Cl)cc32)cc1 ZINC000125739495 823702387 /nfs/dbraw/zinc/70/23/87/823702387.db2.gz BMXOBHPEKKKMDX-KRWDZBQOSA-N 1 0 381.950 4.211 20 0 GIADRO CS(=O)(=O)Cc1ccc(C[NH2+][C@@H]2CCSc3ccc(Cl)cc32)cc1 ZINC000125739227 823702472 /nfs/dbraw/zinc/70/24/72/823702472.db2.gz BMXOBHPEKKKMDX-QGZVFWFLSA-N 1 0 381.950 4.211 20 0 GIADRO COC[C@@H](C)Oc1ccc(Cl)cc1NC1CC[NH+](Cc2ccncc2)CC1 ZINC000191575016 823702890 /nfs/dbraw/zinc/70/28/90/823702890.db2.gz VZQCNYUYKROLFR-MRXNPFEDSA-N 1 0 389.927 4.225 20 0 GIADRO CCN(Cc1occc1C)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000413070187 823703215 /nfs/dbraw/zinc/70/32/15/823703215.db2.gz FMCSAGKZZIHHHA-UHFFFAOYSA-N 1 0 389.927 4.438 20 0 GIADRO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)C1 ZINC000063865739 823703867 /nfs/dbraw/zinc/70/38/67/823703867.db2.gz ALXAIJNDPQUWAZ-MRXNPFEDSA-N 1 0 384.907 4.033 20 0 GIADRO CN(CCC[N@H+](C)Cc1cccc(C(=O)Nc2ccccc2)c1)Cc1ccco1 ZINC000574333991 823704267 /nfs/dbraw/zinc/70/42/67/823704267.db2.gz IIDVZEVGTUQPSB-UHFFFAOYSA-N 1 0 391.515 4.486 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@H](C)c2cc(F)ccc2OC)cc1Cn1cccn1 ZINC000163367240 823704349 /nfs/dbraw/zinc/70/43/49/823704349.db2.gz CSGPUMQVSQMWJH-JKSUJKDBSA-N 1 0 383.467 4.500 20 0 GIADRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)N[C@@H]2C[C@H]2c2ccco2)cc1 ZINC000413083139 823704469 /nfs/dbraw/zinc/70/44/69/823704469.db2.gz KFLACLWXOHQBKB-FGZHOGPDSA-N 1 0 389.499 4.364 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3cccc(Cl)c3)C2)cc1NC(C)=O ZINC000163381332 823705295 /nfs/dbraw/zinc/70/52/95/823705295.db2.gz NWKPMEKOXAWGCU-RDTXWAMCSA-N 1 0 387.911 4.237 20 0 GIADRO O=C1Nc2ccccc2C12CCC([NH2+][C@H]1CCN(c3cccc(Cl)c3)C1)CC2 ZINC000163385946 823705839 /nfs/dbraw/zinc/70/58/39/823705839.db2.gz GNNVHKRCSBLQPK-OTQYULQBSA-N 1 0 395.934 4.341 20 0 GIADRO O=C(C[C@H]1CCC[N@@H+]1C[C@@H]1CN(Cc2ccccc2)CCCO1)c1cccs1 ZINC000574350118 823706565 /nfs/dbraw/zinc/70/65/65/823706565.db2.gz ODONECXTJIPVRG-RTWAWAEBSA-N 1 0 398.572 4.076 20 0 GIADRO c1cn(-c2ccccc2)c(C[N@@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)n1 ZINC000574365532 823709969 /nfs/dbraw/zinc/70/99/69/823709969.db2.gz CNUBXHBTGFTOKI-IBGZPJMESA-N 1 0 384.487 4.037 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N(Cc2ccco2)C2CCCC2)c1 ZINC000163445245 823710481 /nfs/dbraw/zinc/71/04/81/823710481.db2.gz KXICYHARQAFWGG-UHFFFAOYSA-N 1 0 397.519 4.031 20 0 GIADRO CC(C)[C@H]([NH2+][C@H]1CCCc2ccc(S(N)(=O)=O)cc21)c1ccc(Cl)cc1 ZINC000574369897 823710743 /nfs/dbraw/zinc/71/07/43/823710743.db2.gz SSBGUGXQDKYVET-PMACEKPBSA-N 1 0 392.952 4.352 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1)c1nnc(-c2ccccc2)o1 ZINC000574368830 823710890 /nfs/dbraw/zinc/71/08/90/823710890.db2.gz URXCQYLFEQRCGS-GDIGMMSISA-N 1 0 382.895 4.486 20 0 GIADRO COCCCOc1cccc(C[NH2+]CCc2ccc(F)c(Br)c2)c1 ZINC000063917025 823711419 /nfs/dbraw/zinc/71/14/19/823711419.db2.gz DYTIPHPWFKQXEQ-UHFFFAOYSA-N 1 0 396.300 4.336 20 0 GIADRO Cn1cc(C[N@H+](C)CCOc2ccc(C(F)(F)F)cc2)c(-c2cccnc2)n1 ZINC000191616750 823713942 /nfs/dbraw/zinc/71/39/42/823713942.db2.gz NTBATBUSEMZJHI-UHFFFAOYSA-N 1 0 390.409 4.012 20 0 GIADRO CC[C@@H](CNC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)CC(F)(F)F ZINC000413140773 823714120 /nfs/dbraw/zinc/71/41/20/823714120.db2.gz OXPZQMONSMRNGV-CQSZACIVSA-N 1 0 389.437 4.068 20 0 GIADRO C[C@H](C(=O)Nc1ccc(Cl)cc1NC(=O)c1ccco1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000413140339 823714141 /nfs/dbraw/zinc/71/41/41/823714141.db2.gz FYXOLKXAIQOOEU-HZSPNIEDSA-N 1 0 389.883 4.385 20 0 GIADRO O[C@@H](COc1ccc(Cl)cc1Cl)C[NH+]1CCC(c2ccncc2)CC1 ZINC000191617985 823714335 /nfs/dbraw/zinc/71/43/35/823714335.db2.gz GNBKBBDBJVJLIU-QGZVFWFLSA-N 1 0 381.303 4.008 20 0 GIADRO C[C@H]([NH3+])c1ccc(NC(=O)Nc2ccc3c(c2)CCC(=O)N3CC2CC2)cc1 ZINC000574382436 823714912 /nfs/dbraw/zinc/71/49/12/823714912.db2.gz YJCSRASSFDEJPO-AWEZNQCLSA-N 1 0 378.476 4.040 20 0 GIADRO CC(C)(COc1cc(Cl)cc(Cl)c1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000191626070 823717697 /nfs/dbraw/zinc/71/76/97/823717697.db2.gz PNJJASAIWVAAPB-UHFFFAOYSA-N 1 0 385.335 4.141 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000574397425 823719136 /nfs/dbraw/zinc/71/91/36/823719136.db2.gz SDXIWRWVEUQQTK-MJEQTWJJSA-N 1 0 375.513 4.342 20 0 GIADRO C[N@@H+]1CCC[C@@H](COC(=O)C2CCOCC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000125819944 823719376 /nfs/dbraw/zinc/71/93/76/823719376.db2.gz MVMYZKXJSXVATD-WMZOPIPTSA-N 1 0 385.426 4.058 20 0 GIADRO CCOC(=O)C1(C(=O)c2ccccc2)CC[NH+](C[C@H]2CCC3(CCCC3)O2)CC1 ZINC000574399229 823719469 /nfs/dbraw/zinc/71/94/69/823719469.db2.gz ZTOMJCKTIIMRNV-HXUWFJFHSA-N 1 0 399.531 4.006 20 0 GIADRO CC[C@H](CNC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)CC(F)(F)F ZINC000413177296 823721569 /nfs/dbraw/zinc/72/15/69/823721569.db2.gz HFQCOSYBZFEHHP-INIZCTEOSA-N 1 0 385.474 4.176 20 0 GIADRO O=C(c1ccccc1Cl)N1CCC([NH2+][C@H]2CCCc3c(O)cccc32)CC1 ZINC000191638401 823721630 /nfs/dbraw/zinc/72/16/30/823721630.db2.gz TYXNJVQHNGLXKI-FQEVSTJZSA-N 1 0 384.907 4.317 20 0 GIADRO CCC(CC)(CNC(=O)c1c[nH]c(=O)c2ccccc12)[NH2+][C@H](C)c1ccccc1 ZINC000191642617 823721906 /nfs/dbraw/zinc/72/19/06/823721906.db2.gz IMSPUSWWFHYFQS-QGZVFWFLSA-N 1 0 391.515 4.168 20 0 GIADRO C[C@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC(c2ccncc2)CC1 ZINC000191644815 823722466 /nfs/dbraw/zinc/72/24/66/823722466.db2.gz IADJZOGFZNDKJI-CQSZACIVSA-N 1 0 388.309 4.051 20 0 GIADRO CC(C)Cc1ccc(C(=O)C2CCN(C(=O)C[C@@H]([NH3+])c3ccccc3)CC2)cc1 ZINC000163581258 823725057 /nfs/dbraw/zinc/72/50/57/823725057.db2.gz ZCOOHDBEMCPTSP-HSZRJFAPSA-N 1 0 392.543 4.397 20 0 GIADRO Cc1ccc(NC(=O)C[C@H](C)[NH2+]Cc2ccccc2Cn2ccnc2)cc1Cl ZINC000574428224 823726385 /nfs/dbraw/zinc/72/63/85/823726385.db2.gz YLOBNEXBHAINJM-KRWDZBQOSA-N 1 0 396.922 4.400 20 0 GIADRO C[NH+]1CCC([C@H]2CCN(c3nc(C(F)F)nc4ccc(Cl)cc43)C2)CC1 ZINC000413201053 823726548 /nfs/dbraw/zinc/72/65/48/823726548.db2.gz KUXAUUKBXTVSHS-ZDUSSCGKSA-N 1 0 380.870 4.389 20 0 GIADRO c1ccc2c(c1)[nH]c1c2CCC[C@H]1[NH2+]Cc1ccc(CN2CCOCC2)cc1 ZINC000574433741 823727820 /nfs/dbraw/zinc/72/78/20/823727820.db2.gz BSVIBHSUMZIFBK-HSZRJFAPSA-N 1 0 375.516 4.167 20 0 GIADRO Cc1cc(C[NH2+]Cc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)c(C)o1 ZINC000163618139 823728691 /nfs/dbraw/zinc/72/86/91/823728691.db2.gz URFLHSKCHXISEE-UHFFFAOYSA-N 1 0 394.494 4.047 20 0 GIADRO CC(=O)Nc1cccc2c1CCCN2C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000413211301 823728613 /nfs/dbraw/zinc/72/86/13/823728613.db2.gz WYDSEHOQPKGINR-UHFFFAOYSA-N 1 0 391.515 4.224 20 0 GIADRO Cc1cc(C(=O)NC(C)C)ccc1NC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000413216098 823729976 /nfs/dbraw/zinc/72/99/76/823729976.db2.gz QIXAQKKPMCXBNU-UHFFFAOYSA-N 1 0 393.531 4.371 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCCc2nc(-c3ccccc3F)sc21)C(=O)NC(C)(C)C ZINC000163637072 823730298 /nfs/dbraw/zinc/73/02/98/823730298.db2.gz WMIAOHXYFDRLQD-SWLSCSKDSA-N 1 0 375.513 4.219 20 0 GIADRO CC(=O)c1ccccc1C(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000461869834 823730379 /nfs/dbraw/zinc/73/03/79/823730379.db2.gz FROFMUKXZKNSOC-QZTJIDSGSA-N 1 0 378.516 4.297 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCCc2nc(-c3ccccc3F)sc21)C(=O)NC(C)(C)C ZINC000163637178 823730402 /nfs/dbraw/zinc/73/04/02/823730402.db2.gz WMIAOHXYFDRLQD-IUODEOHRSA-N 1 0 375.513 4.219 20 0 GIADRO COC[C@]1(C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)OCCc2ccccc21 ZINC000574442490 823731277 /nfs/dbraw/zinc/73/12/77/823731277.db2.gz LMCGLUPVHGINBN-QPPBQGQZSA-N 1 0 379.500 4.137 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000163649019 823732285 /nfs/dbraw/zinc/73/22/85/823732285.db2.gz OWBVRISDMZWVAQ-GOTSBHOMSA-N 1 0 395.547 4.248 20 0 GIADRO CC(C)c1c(NC(=O)NCC2CC[NH+](C)CC2)cnn1-c1ccccc1Cl ZINC000191688621 823734339 /nfs/dbraw/zinc/73/43/39/823734339.db2.gz UFVFEATWTOQGJC-UHFFFAOYSA-N 1 0 389.931 4.112 20 0 GIADRO CS[C@H]1CN(c2nc(C(F)F)nc3ccc(Cl)cc32)C[C@@H]1[NH+]1CCCC1 ZINC000413234908 823734661 /nfs/dbraw/zinc/73/46/61/823734661.db2.gz QZTFIVZJVZTULC-GJZGRUSLSA-N 1 0 398.910 4.237 20 0 GIADRO COc1cccc(F)c1C(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000461877808 823734753 /nfs/dbraw/zinc/73/47/53/823734753.db2.gz WAJCNHFDZGIZKZ-IRXDYDNUSA-N 1 0 384.495 4.242 20 0 GIADRO CN(C)C(=O)c1cccc(C[NH2+]C(C)(C)c2ccc(OC(F)(F)F)cc2)c1 ZINC000191690101 823734919 /nfs/dbraw/zinc/73/49/19/823734919.db2.gz RTGGONGFWYFDIZ-UHFFFAOYSA-N 1 0 380.410 4.312 20 0 GIADRO Cc1ccccc1-n1ncc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)c1C(C)C ZINC000191689863 823735094 /nfs/dbraw/zinc/73/50/94/823735094.db2.gz PGMWPPNTDPSKOE-UHFFFAOYSA-N 1 0 394.563 4.252 20 0 GIADRO Cc1noc(C2CCC([NH2+]C/C=C/c3ccc(Br)cc3)CC2)n1 ZINC000574459884 823735564 /nfs/dbraw/zinc/73/55/64/823735564.db2.gz MPJXNLMZFWYAPU-NSCUHMNNSA-N 1 0 376.298 4.470 20 0 GIADRO Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000125879709 823735553 /nfs/dbraw/zinc/73/55/53/823735553.db2.gz MFBJQLCQKOTGHF-HZPDHXFCSA-N 1 0 378.586 4.294 20 0 GIADRO Cc1c(-c2cc(C[NH2+]C(C)(C)c3ccc(OC(F)(F)F)cc3)on2)cnn1C ZINC000191691603 823736155 /nfs/dbraw/zinc/73/61/55/823736155.db2.gz YIOLNRKJSMMVAH-UHFFFAOYSA-N 1 0 394.397 4.307 20 0 GIADRO CCCNC(=O)c1ccc(Cl)cc1NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000064026599 823736283 /nfs/dbraw/zinc/73/62/83/823736283.db2.gz RBALREYEULDWBX-UHFFFAOYSA-N 1 0 399.922 4.328 20 0 GIADRO CC(C)(C)NC(=O)c1ccccc1NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000064027727 823736550 /nfs/dbraw/zinc/73/65/50/823736550.db2.gz OHNNVXRHBCAFGY-UHFFFAOYSA-N 1 0 379.504 4.063 20 0 GIADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2nc(-c3ccccc3)oc2C2CC2)C1 ZINC000163682782 823736929 /nfs/dbraw/zinc/73/69/29/823736929.db2.gz JLLVRZPZIQIHOW-KRWDZBQOSA-N 1 0 381.520 4.317 20 0 GIADRO CCOc1ccc(NC(=O)NCC[N@H+](CC)CCC(F)(F)F)c2ncccc12 ZINC000574464145 823736990 /nfs/dbraw/zinc/73/69/90/823736990.db2.gz NGEZWPPMPATLKJ-UHFFFAOYSA-N 1 0 398.429 4.029 20 0 GIADRO O=C(NC1CCCCC1)N1CCC([NH2+][C@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000574471490 823739222 /nfs/dbraw/zinc/73/92/22/823739222.db2.gz QSYOSXITWBUEFW-FQEVSTJZSA-N 1 0 387.572 4.127 20 0 GIADRO CC(C)[C@@H]1N(C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)CC12CCOCC2 ZINC000413273325 823743251 /nfs/dbraw/zinc/74/32/51/823743251.db2.gz BKKRXMRVLIIPHF-KNQAVFIVSA-N 1 0 399.579 4.059 20 0 GIADRO COc1cccc(C[NH2+]C[C@](C)(Cc2ccccc2)[C@@H](C)O)c1OC(F)F ZINC000191711798 823744175 /nfs/dbraw/zinc/74/41/75/823744175.db2.gz JWMCURXOWLCEOX-VFNWGFHPSA-N 1 0 379.447 4.016 20 0 GIADRO C[C@@H](O)[C@](C)(C[NH2+]Cc1ccc(OCc2ccncc2)cc1)Cc1ccccc1 ZINC000191714628 823744997 /nfs/dbraw/zinc/74/49/97/823744997.db2.gz CWWPWCHEQCGVIM-NLFFAJNJSA-N 1 0 390.527 4.380 20 0 GIADRO CN(CC[NH+]1CCCC1)C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1 ZINC000163749046 823745081 /nfs/dbraw/zinc/74/50/81/823745081.db2.gz DWNYLXZLGXFMOF-UHFFFAOYSA-N 1 0 394.302 4.349 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1sc(C(F)(F)F)nc1C)c1ccsc1 ZINC000461906227 823747922 /nfs/dbraw/zinc/74/79/22/823747922.db2.gz XJXIATIYGIMAGP-LBPRGKRZSA-N 1 0 391.484 4.345 20 0 GIADRO COc1ccc(CN(C)C(=O)NCCCCC[NH+]2CCCCC2)cc1Cl ZINC000413299240 823748198 /nfs/dbraw/zinc/74/81/98/823748198.db2.gz LTVAOJQVPOXTAL-UHFFFAOYSA-N 1 0 381.948 4.146 20 0 GIADRO COc1ccc([C@H]([NH2+][C@H](C)c2ccc(-n3cnnn3)cc2)c2ccc(C)cc2)cc1 ZINC000163789724 823749401 /nfs/dbraw/zinc/74/94/01/823749401.db2.gz UQZDUXWHFLCALT-HOYKHHGWSA-N 1 0 399.498 4.420 20 0 GIADRO CN(C)C(=O)COc1cccc(C[NH2+][C@H]2CCSc3ccc(Cl)cc32)c1 ZINC000163795151 823749730 /nfs/dbraw/zinc/74/97/30/823749730.db2.gz VNAHTWFRPJGYHO-SFHVURJKSA-N 1 0 390.936 4.134 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cccc(Cl)c1Br ZINC000191730794 823750371 /nfs/dbraw/zinc/75/03/71/823750371.db2.gz HPIFOMPUDYPVMT-NEPJUHHUSA-N 1 0 386.721 4.193 20 0 GIADRO COc1cc(C[N@H+](C)Cc2ccc(OCc3ccncc3)c(OC)c2)ccc1O ZINC000125949122 823751205 /nfs/dbraw/zinc/75/12/05/823751205.db2.gz RBSLZPKAIOFOSG-UHFFFAOYSA-N 1 0 394.471 4.015 20 0 GIADRO Cc1nc(C(F)(F)F)sc1C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000461914642 823752030 /nfs/dbraw/zinc/75/20/30/823752030.db2.gz QPKQXZNUOKODFX-UHFFFAOYSA-N 1 0 385.455 4.241 20 0 GIADRO O=C(c1cccc(CN2CC[NH+](CC3CCCCC3)CC2)c1)N1CCCCC1 ZINC000064130225 823752775 /nfs/dbraw/zinc/75/27/75/823752775.db2.gz JYRCIWVGFIFWSN-UHFFFAOYSA-N 1 0 383.580 4.011 20 0 GIADRO Cn1ccc(C[NH2+]C2(c3ccc(OCc4ccccc4)cc3)CCOCC2)c1 ZINC000125959008 823753161 /nfs/dbraw/zinc/75/31/61/823753161.db2.gz CKESQEKZKCNZTP-UHFFFAOYSA-N 1 0 376.500 4.400 20 0 GIADRO Cc1ccccc1[C@@H]([NH3+])C(=O)Nc1ccc(NC(=O)N2CCCCCC2)cc1 ZINC000574515891 823753436 /nfs/dbraw/zinc/75/34/36/823753436.db2.gz YWBWLTYHZCYQBM-HXUWFJFHSA-N 1 0 380.492 4.041 20 0 GIADRO Clc1cccc(-c2ccc(C[NH+]3CCN(CCn4cccn4)CC3)s2)c1 ZINC000064140913 823754185 /nfs/dbraw/zinc/75/41/85/823754185.db2.gz RYPHKFUTDBJHCB-UHFFFAOYSA-N 1 0 386.952 4.083 20 0 GIADRO CC(C)[C@H](C(=O)N(C)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)[C@@H](C)[NH3+] ZINC000574521594 823754474 /nfs/dbraw/zinc/75/44/74/823754474.db2.gz FJXILVDNEXMIEI-ACJLOTCBSA-N 1 0 395.425 4.475 20 0 GIADRO COc1cc2[nH+]ccc(N3CCC4(CC3)OCCc3ccccc34)c2cc1OC ZINC000413336302 823754864 /nfs/dbraw/zinc/75/48/64/823754864.db2.gz QSHOPLAIPRQMKE-UHFFFAOYSA-N 1 0 390.483 4.320 20 0 GIADRO COCCOc1ccc(F)cc1NC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000413338890 823755428 /nfs/dbraw/zinc/75/54/28/823755428.db2.gz PMNLDDXMOLJDBN-UHFFFAOYSA-N 1 0 386.467 4.089 20 0 GIADRO Cc1ccc(Cc2ccccn2)cc1NC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000574529823 823756425 /nfs/dbraw/zinc/75/64/25/823756425.db2.gz HYHFBIUDKLVCAO-UHFFFAOYSA-N 1 0 378.520 4.119 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)[C@@H](C)c2cccc(Br)c2)c1 ZINC000461925072 823758651 /nfs/dbraw/zinc/75/86/51/823758651.db2.gz ZONUIWFYDRLMSG-HNNXBMFYSA-N 1 0 389.337 4.321 20 0 GIADRO O=C(CCCc1cc(F)ccc1F)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000125988468 823761145 /nfs/dbraw/zinc/76/11/45/823761145.db2.gz VSFPLZZUZCFXTC-INIZCTEOSA-N 1 0 392.515 4.377 20 0 GIADRO COCCOc1ccc([C@H](C)[NH2+]Cc2c(C)nn(Cc3ccccc3)c2C)cc1 ZINC000163965624 823766253 /nfs/dbraw/zinc/76/62/53/823766253.db2.gz IXPUKBLWZJCNKN-SFHVURJKSA-N 1 0 393.531 4.424 20 0 GIADRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)Nc1cc(C2CC2)ccn1 ZINC000574561275 823766815 /nfs/dbraw/zinc/76/68/15/823766815.db2.gz BFXUKOLXKWSVQZ-YPGOJHLTSA-N 1 0 378.520 4.237 20 0 GIADRO C[C@H](CNC(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000413399569 823768893 /nfs/dbraw/zinc/76/88/93/823768893.db2.gz HKWCWENGNIRVLG-XYJFISCASA-N 1 0 385.474 4.175 20 0 GIADRO CC(C)([NH3+])c1noc(CN[C@H](c2ccccc2)[C@H]2CCCc3ccccc32)n1 ZINC000574573203 823770099 /nfs/dbraw/zinc/77/00/99/823770099.db2.gz YJPHFSPGXOLNIW-PZJWPPBQSA-N 1 0 376.504 4.214 20 0 GIADRO CCNC(=O)COc1ccc(C[N@H+](C)[C@@H](C)c2cc3ccccc3o2)cc1OC ZINC000126038233 823771852 /nfs/dbraw/zinc/77/18/52/823771852.db2.gz FZZDSOUOGFQUPD-INIZCTEOSA-N 1 0 396.487 4.149 20 0 GIADRO C[C@H]([NH2+][C@H]1CC[C@H](c2ccccc2)C1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000126038968 823772379 /nfs/dbraw/zinc/77/23/79/823772379.db2.gz QFFKYKIWDSRUPP-XJABCFGWSA-N 1 0 378.516 4.331 20 0 GIADRO Cc1csc(N2CCC([NH2+][C@@H](C)c3cnn(-c4ccc(F)cc4)c3C)CC2)n1 ZINC000164039307 823772820 /nfs/dbraw/zinc/77/28/20/823772820.db2.gz GBKLAYYMAUEEEQ-HNNXBMFYSA-N 1 0 399.539 4.404 20 0 GIADRO C[C@H](NC(=O)N1CC[C@H]([NH+]2CCCC2)C1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000164059985 823774172 /nfs/dbraw/zinc/77/41/72/823774172.db2.gz KTAAVAGTKZSLGL-PMPSAXMXSA-N 1 0 383.458 4.077 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)N2CCC[C@H]2Cc2ccccc2OC)c1 ZINC000064229419 823775864 /nfs/dbraw/zinc/77/58/64/823775864.db2.gz NJZWJIMMRCNRST-QFIPXVFZSA-N 1 0 395.547 4.064 20 0 GIADRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1ccc(-c2nnc(C)o2)cc1 ZINC000461969589 823776773 /nfs/dbraw/zinc/77/67/73/823776773.db2.gz CAWGCEGUQFSLBA-UHFFFAOYSA-N 1 0 392.503 4.029 20 0 GIADRO O=C(CCC(F)(F)F)N1CCC[C@@H]([NH2+]Cc2cccc(OC(F)(F)F)c2)C1 ZINC000574600601 823776851 /nfs/dbraw/zinc/77/68/51/823776851.db2.gz HALSEGLVHRLCCX-CYBMUJFWSA-N 1 0 398.347 4.008 20 0 GIADRO 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 823779270 /nfs/dbraw/zinc/77/92/70/823779270.db2.gz JUSMRPJIEXPQPW-BSXFFOKHSA-N 1 0 385.474 4.179 20 0 GIADRO O=C(C[N@@H+]1CCC[C@@H]1Cc1ccccc1Cl)N1CCC[C@H](C(F)(F)F)C1 ZINC000064249711 823780298 /nfs/dbraw/zinc/78/02/98/823780298.db2.gz HZWGKHCBZCUDDS-JKSUJKDBSA-N 1 0 388.861 4.148 20 0 GIADRO CC(C)[NH2+]C1CCN(C(=O)N[C@H](C)[C@@H](C)c2ccccc2C(F)(F)F)CC1 ZINC000164147540 823781520 /nfs/dbraw/zinc/78/15/20/823781520.db2.gz AQJBYXWNPUERSK-HUUCEWRRSA-N 1 0 385.474 4.369 20 0 GIADRO CC[N@@H+]1CC[C@H](NC(=O)N[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)C1 ZINC000413477863 823785574 /nfs/dbraw/zinc/78/55/74/823785574.db2.gz WSTPAGRCHVCKAH-KBPBESRZSA-N 1 0 397.363 4.092 20 0 GIADRO C[NH+](C)CCOc1cccc(-c2noc(-c3ncoc3-c3ccc(F)cc3)n2)c1 ZINC000574627638 823785542 /nfs/dbraw/zinc/78/55/42/823785542.db2.gz WLVYHQBBGDTPFM-UHFFFAOYSA-N 1 0 394.406 4.138 20 0 GIADRO Cc1nccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(Br)cc2F)cn1 ZINC000126098157 823786417 /nfs/dbraw/zinc/78/64/17/823786417.db2.gz RTGPXQAFQXIKBO-LBPRGKRZSA-N 1 0 389.272 4.328 20 0 GIADRO CCCN(CC[NH+](CC)CC)C(=O)NCc1nc2cc(Cl)ccc2s1 ZINC000461992849 823787016 /nfs/dbraw/zinc/78/70/16/823787016.db2.gz KEBMJIAQHLJBTE-UHFFFAOYSA-N 1 0 382.961 4.213 20 0 GIADRO CCCN(CC[NH+](CC)CC)C(=O)Nc1ccc(OC)cc1Br ZINC000461994427 823787513 /nfs/dbraw/zinc/78/75/13/823787513.db2.gz XMINSZKDIUTPSM-UHFFFAOYSA-N 1 0 386.334 4.043 20 0 GIADRO Cc1ccc([C@@H]2CCCN2C(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)s1 ZINC000164234772 823788064 /nfs/dbraw/zinc/78/80/64/823788064.db2.gz FNAKWBHNIFVYDX-NRFANRHFSA-N 1 0 398.572 4.238 20 0 GIADRO CC(C)c1c(C(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)cnn1-c1ccc(F)cc1 ZINC000574660778 823793352 /nfs/dbraw/zinc/79/33/52/823793352.db2.gz BZFUUEYYPWPDPM-QGZVFWFLSA-N 1 0 398.526 4.081 20 0 GIADRO COCc1ccc(CNc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)cc1 ZINC000126125546 823794173 /nfs/dbraw/zinc/79/41/73/823794173.db2.gz VAJSVVUWMZVYIR-UHFFFAOYSA-N 1 0 381.520 4.260 20 0 GIADRO Cc1cscc1NC(=O)C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000126124566 823794216 /nfs/dbraw/zinc/79/42/16/823794216.db2.gz KVRWJTWRTPZEQJ-UHFFFAOYSA-N 1 0 399.560 4.076 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000574667824 823795121 /nfs/dbraw/zinc/79/51/21/823795121.db2.gz YKEKOLIVSSDATG-WPKBUWHJSA-N 1 0 394.302 4.225 20 0 GIADRO CCc1onc(-c2ccccc2)c1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000574666367 823795301 /nfs/dbraw/zinc/79/53/01/823795301.db2.gz DUVSXEURTSFYDD-PXNSSMCTSA-N 1 0 389.499 4.297 20 0 GIADRO Cc1nc(C(F)(F)F)sc1C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000462016969 823795613 /nfs/dbraw/zinc/79/56/13/823795613.db2.gz QJOABIFLEYGYHP-AWEZNQCLSA-N 1 0 389.487 4.199 20 0 GIADRO Cc1[nH]c2ccccc2c1CCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000462018009 823796058 /nfs/dbraw/zinc/79/60/58/823796058.db2.gz VJOVIRNOMCJFCK-QHCPKHFHSA-N 1 0 375.516 4.190 20 0 GIADRO Cc1ccc([C@H]2CCCN2C(=O)CC[NH+]2CCN(c3cccc(C)c3)CC2)cc1 ZINC000462019713 823796827 /nfs/dbraw/zinc/79/68/27/823796827.db2.gz DALUPFYGYURJQR-XMMPIXPASA-N 1 0 391.559 4.179 20 0 GIADRO CC(C)(C)c1ccc2cc(C(=O)N3CCC(CC[NH+]4CCOCC4)CC3)[nH]c2c1 ZINC000064346639 823797216 /nfs/dbraw/zinc/79/72/16/823797216.db2.gz HEWCOKFAPHMDQK-UHFFFAOYSA-N 1 0 397.563 4.040 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccccc1)CC3 ZINC000191856215 823797224 /nfs/dbraw/zinc/79/72/24/823797224.db2.gz CWDNRBDLIQKUGZ-XFAGBWLFSA-N 1 0 376.500 4.401 20 0 GIADRO CC[N@H+](C[C@@H](O)COCc1ccc(OC)cc1)[C@H](C)c1cc2ccccc2o1 ZINC000064349268 823798704 /nfs/dbraw/zinc/79/87/04/823798704.db2.gz GCNYZETUKDYEKH-YLJYHZDGSA-N 1 0 383.488 4.402 20 0 GIADRO COc1ccc(-c2nc(CN3CC[NH+](CCc4cccs4)CC3)cs2)cc1 ZINC000064351752 823798964 /nfs/dbraw/zinc/79/89/64/823798964.db2.gz BXZOLDOFRCYWKD-UHFFFAOYSA-N 1 0 399.585 4.241 20 0 GIADRO CC(C)c1nn(Cc2ccccc2)c(Cl)c1C[NH+]1CCC2(CC1)OCCO2 ZINC000126144908 823799268 /nfs/dbraw/zinc/79/92/68/823799268.db2.gz STVRFEFJXSHIDY-UHFFFAOYSA-N 1 0 389.927 4.047 20 0 GIADRO Cc1cc(N2CCC[C@@H](N3CCCC3=O)CC2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000413573852 823799355 /nfs/dbraw/zinc/79/93/55/823799355.db2.gz TWOHMUALKJILAV-OAHLLOKOSA-N 1 0 389.446 4.126 20 0 GIADRO Cc1ccc(NC(=O)Nc2nc3ccccc3s2)cc1NC(=O)CC[NH+](C)C ZINC000191870588 823800169 /nfs/dbraw/zinc/80/01/69/823800169.db2.gz WFISFDUPQWWPTI-UHFFFAOYSA-N 1 0 397.504 4.139 20 0 GIADRO [NH3+][C@H]1CCC[C@@H](CNC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)C1 ZINC000574684059 823800372 /nfs/dbraw/zinc/80/03/72/823800372.db2.gz VZLDCXMBTVGJEH-AEFFLSMTSA-N 1 0 375.472 4.256 20 0 GIADRO C[NH+](C)Cc1cc(-c2noc(/C=C/c3cnn(-c4ccccc4)c3)n2)ccc1F ZINC000574682987 823800453 /nfs/dbraw/zinc/80/04/53/823800453.db2.gz JGLJAKKVQFKVGF-DHZHZOJOSA-N 1 0 389.434 4.293 20 0 GIADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H](c2ccc(F)cc2)C2CCCC2)c1 ZINC000164407212 823801289 /nfs/dbraw/zinc/80/12/89/823801289.db2.gz ZVUYSHANQAMMHM-BTYIYWSLSA-N 1 0 390.524 4.316 20 0 GIADRO CC1(C(=O)NNc2ccc(Cl)c(F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000164408379 823801593 /nfs/dbraw/zinc/80/15/93/823801593.db2.gz IXEWYSHKENOEJE-UHFFFAOYSA-N 1 0 375.875 4.225 20 0 GIADRO CCOc1ccc(-c2nc(C)c(C(=O)N3C[C@H]([NH3+])Cc4ccccc43)s2)cc1 ZINC000574694926 823802715 /nfs/dbraw/zinc/80/27/15/823802715.db2.gz UTTQUTWKUWJAGE-QGZVFWFLSA-N 1 0 393.512 4.047 20 0 GIADRO O=C(CC[NH+]1CCCCC1)Nc1ccc(NCc2cnc(C3CC3)s2)cc1 ZINC000126165756 823803576 /nfs/dbraw/zinc/80/35/76/823803576.db2.gz ZBUSNHOVMWVJLH-UHFFFAOYSA-N 1 0 384.549 4.447 20 0 GIADRO O=C(CC[NH+]1CCCCC1)Nc1ccc(NCc2ccc3c(c2)CCO3)cc1 ZINC000126166440 823803716 /nfs/dbraw/zinc/80/37/16/823803716.db2.gz PXYKVRDZZQLPPX-UHFFFAOYSA-N 1 0 379.504 4.048 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)c2cc(-c3ccccc3Cl)on2)CC1 ZINC000064381666 823805523 /nfs/dbraw/zinc/80/55/23/823805523.db2.gz RHCIZSRIWRHDLH-UHFFFAOYSA-N 1 0 375.900 4.187 20 0 GIADRO COc1cccc2c1OC[C@@H]([NH2+][C@H](C)CC(=O)Nc1ccccc1C(C)C)C2 ZINC000164524186 823807322 /nfs/dbraw/zinc/80/73/22/823807322.db2.gz ZJMODZOLPWFZOM-AEFFLSMTSA-N 1 0 382.504 4.129 20 0 GIADRO CC[NH+](CC)CCSCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000462045040 823810103 /nfs/dbraw/zinc/81/01/03/823810103.db2.gz AXURLNKWPJRGIT-MRXNPFEDSA-N 1 0 377.579 4.035 20 0 GIADRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)N[C@H]1CCc2sc(Cl)cc21 ZINC000462051847 823813174 /nfs/dbraw/zinc/81/31/74/823813174.db2.gz PHOGLBZJYPDDQY-INIZCTEOSA-N 1 0 395.931 4.301 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccccc1F ZINC000064412379 823813724 /nfs/dbraw/zinc/81/37/24/823813724.db2.gz VAVKRBIWYXSYGJ-UHFFFAOYSA-N 1 0 383.389 4.440 20 0 GIADRO C[C@H](CC1CCOCC1)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000126222171 823815066 /nfs/dbraw/zinc/81/50/66/823815066.db2.gz YJIBPPRAWSSXCD-GOSISDBHSA-N 1 0 376.504 4.229 20 0 GIADRO Cc1ccc(Nc2nn(CN3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)c(=S)s2)cc1 ZINC000164688806 823816102 /nfs/dbraw/zinc/81/61/02/823816102.db2.gz FBMXFZJXMMCJIX-NVXWUHKLSA-N 1 0 389.594 4.100 20 0 GIADRO Cc1ccc(Nc2nn(CN3CC[C@H]4[C@H](CCC[N@H+]4C)C3)c(=S)s2)cc1 ZINC000164688934 823816186 /nfs/dbraw/zinc/81/61/86/823816186.db2.gz FBMXFZJXMMCJIX-WBVHZDCISA-N 1 0 389.594 4.100 20 0 GIADRO CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]Cc1nc2ccccc2n1C1CC1 ZINC000462066587 823818143 /nfs/dbraw/zinc/81/81/43/823818143.db2.gz JIUDIVIKCMNNCE-KRWDZBQOSA-N 1 0 379.504 4.499 20 0 GIADRO CCOc1ccccc1Oc1ccc(CNC(=O)[C@H]2CCCCCC[C@H]2[NH3+])cn1 ZINC000164754558 823818714 /nfs/dbraw/zinc/81/87/14/823818714.db2.gz XYDISMCBOVBRKB-RBUKOAKNSA-N 1 0 397.519 4.187 20 0 GIADRO NC(=O)c1cc(C[NH2+][C@H](CCCc2ccccc2)Cc2ccc(Cl)cc2)on1 ZINC000462069149 823818697 /nfs/dbraw/zinc/81/86/97/823818697.db2.gz FJJUXQWBNWDJHQ-LJQANCHMSA-N 1 0 397.906 4.151 20 0 GIADRO CC(C)(C)OC1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000164925158 823825727 /nfs/dbraw/zinc/82/57/27/823825727.db2.gz KFSPSBDMKCLCPN-CQSZACIVSA-N 1 0 376.324 4.013 20 0 GIADRO CC(C)(C)N(Cc1cccc(F)c1)C(=O)C[NH2+][C@@H]1CCO[C@H]1c1ccccc1 ZINC000191963683 823825795 /nfs/dbraw/zinc/82/57/95/823825795.db2.gz XHQQUZIITLIOGW-IRLDBZIGSA-N 1 0 384.495 4.073 20 0 GIADRO C[C@@H](C(=O)N1CCC(c2nc(-c3ccncc3)cs2)CC1)[NH+]1CCCCCC1 ZINC000462093764 823825951 /nfs/dbraw/zinc/82/59/51/823825951.db2.gz ORYBIMZJXVHWCE-KRWDZBQOSA-N 1 0 398.576 4.176 20 0 GIADRO CC(C)[NH+]1CCC(C(=O)N2CCC(c3nc(-c4ccncc4)cs3)CC2)CC1 ZINC000462093725 823826038 /nfs/dbraw/zinc/82/60/38/823826038.db2.gz OBHRLJVJMBTGTG-UHFFFAOYSA-N 1 0 398.576 4.032 20 0 GIADRO COCc1ccc(C[NH2+][C@@H](C)CC(=O)Nc2cc(Cl)ccc2OC)cc1 ZINC000126277264 823826999 /nfs/dbraw/zinc/82/69/99/823826999.db2.gz OXPARBLDLJDNEB-AWEZNQCLSA-N 1 0 376.884 4.002 20 0 GIADRO COCc1ccc(C[NH2+][C@H](C)CC(=O)Nc2cc(Cl)ccc2OC)cc1 ZINC000126277536 823827685 /nfs/dbraw/zinc/82/76/85/823827685.db2.gz OXPARBLDLJDNEB-CQSZACIVSA-N 1 0 376.884 4.002 20 0 GIADRO CC(=O)c1ccc(Oc2ccc(C(=O)N(C)[C@H]3CC[N@@H+](C)C[C@@H]3C)cc2)cc1 ZINC000126281306 823828831 /nfs/dbraw/zinc/82/88/31/823828831.db2.gz NNLPQSPKBGKBFK-AOMKIAJQSA-N 1 0 380.488 4.094 20 0 GIADRO CC[NH+]1CCC(N(c2ccccc2)S(=O)(=O)c2cc(F)ccc2Cl)CC1 ZINC000191975957 823829480 /nfs/dbraw/zinc/82/94/80/823829480.db2.gz DXCGXBHQXXTMBD-UHFFFAOYSA-N 1 0 396.915 4.159 20 0 GIADRO O=C(NCc1ccco1)c1cccc(C[NH2+][C@H]2CSCCc3ccccc32)c1 ZINC000165028506 823830350 /nfs/dbraw/zinc/83/03/50/823830350.db2.gz XBQAVRJDECQSGC-QFIPXVFZSA-N 1 0 392.524 4.330 20 0 GIADRO CN(Cc1cc(Br)cs1)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000126287554 823830736 /nfs/dbraw/zinc/83/07/36/823830736.db2.gz IDSCJINCXLNZQV-UHFFFAOYSA-N 1 0 382.327 4.236 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)[C@H]2C[C@H]2c2cccc(Br)c2)CC1 ZINC000064496647 823831359 /nfs/dbraw/zinc/83/13/59/823831359.db2.gz AKJYHSLABTVKBO-OALUTQOASA-N 1 0 393.369 4.131 20 0 GIADRO CCCC[C@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)NC)cc1)c1ccc(OC)cc1 ZINC000165063776 823832987 /nfs/dbraw/zinc/83/29/87/823832987.db2.gz RQTWNZARSJQCBG-IERDGZPVSA-N 1 0 390.549 4.185 20 0 GIADRO CCC[C@H](CCc1ccccc1)[NH2+][C@@H](Cc1c[nH]c2ccccc12)C(=O)NC ZINC000462116530 823833337 /nfs/dbraw/zinc/83/33/37/823833337.db2.gz INBMUGOWOGJXFC-OFNKIYASSA-N 1 0 377.532 4.216 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H](C)CC(F)(F)F ZINC000413753008 823834047 /nfs/dbraw/zinc/83/40/47/823834047.db2.gz XDXWQVKMHQWWRB-AEFFLSMTSA-N 1 0 385.474 4.129 20 0 GIADRO C[C@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)c1ccc(F)cc1Br ZINC000165106775 823834273 /nfs/dbraw/zinc/83/42/73/823834273.db2.gz MMRBSULKNMWFSM-ZDUSSCGKSA-N 1 0 393.300 4.183 20 0 GIADRO COc1ccccc1C(C)(C)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000064521168 823834746 /nfs/dbraw/zinc/83/47/46/823834746.db2.gz SHOAYCABSJTSDK-QGZVFWFLSA-N 1 0 386.561 4.063 20 0 GIADRO CC(C)Cc1c[nH]c(C(=O)Nc2ccccc2N2CCC(C[NH+](C)C)CC2)c1 ZINC000413756103 823834894 /nfs/dbraw/zinc/83/48/94/823834894.db2.gz KHPCAYBQGBVQTI-UHFFFAOYSA-N 1 0 382.552 4.244 20 0 GIADRO COc1cccc(COc2cccc(NC(=O)N3CC[NH+](C(C)C)CC3)c2C)c1 ZINC000165126070 823835189 /nfs/dbraw/zinc/83/51/89/823835189.db2.gz NCEJKORKRDXMRC-UHFFFAOYSA-N 1 0 397.519 4.141 20 0 GIADRO O=C(CCOc1ccc(Cl)cc1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000064521381 823835117 /nfs/dbraw/zinc/83/51/17/823835117.db2.gz IQJDTWDHZINFEN-INIZCTEOSA-N 1 0 392.952 4.199 20 0 GIADRO Cc1cccc(C)c1OCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000064521500 823835336 /nfs/dbraw/zinc/83/53/36/823835336.db2.gz SGEYETBRSTXUGS-IBGZPJMESA-N 1 0 386.561 4.162 20 0 GIADRO CN(C)C(=O)c1cccc(CC[NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)c1 ZINC000165190708 823838911 /nfs/dbraw/zinc/83/89/11/823838911.db2.gz JYGAKYHZKVYJGQ-LJQANCHMSA-N 1 0 392.421 4.107 20 0 GIADRO CCOC(=O)c1csc(C2CC[NH+](Cc3cc(Cl)cc(C)c3O)CC2)n1 ZINC000192036523 823839408 /nfs/dbraw/zinc/83/94/08/823839408.db2.gz PQDHOKAOHBQJTJ-UHFFFAOYSA-N 1 0 394.924 4.367 20 0 GIADRO C[C@H](C(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1cccc(Br)c1 ZINC000462132399 823839796 /nfs/dbraw/zinc/83/97/96/823839796.db2.gz VGKAMPNVXXOPEI-HNNXBMFYSA-N 1 0 379.342 4.030 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)c2ccc3c(C)cc(=O)[nH]c3c2)c1 ZINC000574842890 823840222 /nfs/dbraw/zinc/84/02/22/823840222.db2.gz LVGNCUFXOZDGHV-UHFFFAOYSA-N 1 0 377.488 4.021 20 0 GIADRO CC(C)OCc1cccc(NC(=O)Nc2ccccc2N2CC[NH+](C)CC2)c1 ZINC000064544077 823840100 /nfs/dbraw/zinc/84/01/00/823840100.db2.gz ARWNCDHLYROBBC-UHFFFAOYSA-N 1 0 382.508 4.007 20 0 GIADRO S=c1n(CN2CC[NH+](C3CCCCC3)CC2)nc(C2CC2)n1-c1ccccc1 ZINC000165227368 823840963 /nfs/dbraw/zinc/84/09/63/823840963.db2.gz XIDYQKUKASWVRR-UHFFFAOYSA-N 1 0 397.592 4.188 20 0 GIADRO C[C@H](CC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(F)c(Br)c1 ZINC000462136491 823841039 /nfs/dbraw/zinc/84/10/39/823841039.db2.gz CNDGFSYVVQLQCA-NFAWXSAZSA-N 1 0 385.321 4.023 20 0 GIADRO C[C@H]([NH2+][C@H](CO)C1CCCC1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000574846979 823841263 /nfs/dbraw/zinc/84/12/63/823841263.db2.gz DMXXZOAONYREAX-HTAPYJJXSA-N 1 0 379.504 4.115 20 0 GIADRO Brc1cccc2[nH]cc(CC[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCC4)c21 ZINC000574846764 823841334 /nfs/dbraw/zinc/84/13/34/823841334.db2.gz ASLBLDHMTPLZMG-MORSLUCNSA-N 1 0 375.310 4.020 20 0 GIADRO CC(C)(C)OC(=O)NC(C)(C)c1noc(C[N@@H+]2CCC[C@H]2C2CCCCC2)n1 ZINC000165267895 823841457 /nfs/dbraw/zinc/84/14/57/823841457.db2.gz HTMIFQORKVUOHC-INIZCTEOSA-N 1 0 392.544 4.374 20 0 GIADRO CC(C)(C)C(=O)N1CCC(C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)CC1 ZINC000192044462 823842655 /nfs/dbraw/zinc/84/26/55/823842655.db2.gz LUWBPGCKFRUFGI-MOPGFXCFSA-N 1 0 378.944 4.044 20 0 GIADRO C[NH+](C)CCOc1cccc(-c2noc(Cc3ccc(C(F)(F)F)cc3)n2)c1 ZINC000574851599 823843042 /nfs/dbraw/zinc/84/30/42/823843042.db2.gz UMWLPGDZDDQLFA-UHFFFAOYSA-N 1 0 391.393 4.287 20 0 GIADRO C[C@H]1CN(c2ccc(NC(=O)C[NH2+]C(C)(C)CC(C)(C)C)cc2)C[C@H](C)O1 ZINC000064557288 823843223 /nfs/dbraw/zinc/84/32/23/823843223.db2.gz IKXNOIQTAKJZRE-IRXDYDNUSA-N 1 0 375.557 4.043 20 0 GIADRO COc1ccc(Cl)c(NC(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000064560604 823843923 /nfs/dbraw/zinc/84/39/23/823843923.db2.gz RYVOSLADSCIESA-UHFFFAOYSA-N 1 0 387.911 4.307 20 0 GIADRO CC(C)[NH+](CCN(C)C(=O)N[C@@H]1CCCc2cn(C3CCCC3)nc21)C(C)C ZINC000462148536 823845045 /nfs/dbraw/zinc/84/50/45/823845045.db2.gz DAYKEVJDHQWULY-HXUWFJFHSA-N 1 0 389.588 4.136 20 0 GIADRO CN(C(=O)c1cccc(C[NH+]2CCCCC2)c1)[C@@H](CO)c1ccc(Cl)cc1 ZINC000413829755 823846883 /nfs/dbraw/zinc/84/68/83/823846883.db2.gz GXOATDVPJXYPMU-NRFANRHFSA-N 1 0 386.923 4.132 20 0 GIADRO CC(C)[C@H](O)CC[NH2+][C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000165406890 823848464 /nfs/dbraw/zinc/84/84/64/823848464.db2.gz VIUDNHZSJJIMNX-RTBURBONSA-N 1 0 377.326 4.125 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cccc(Oc2ccncc2)c1 ZINC000462161597 823849601 /nfs/dbraw/zinc/84/96/01/823849601.db2.gz YMTVURCILCSSGP-JPYJTQIMSA-N 1 0 387.483 4.124 20 0 GIADRO CN(C(=O)c1csc(CC[NH3+])n1)[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000574876936 823849671 /nfs/dbraw/zinc/84/96/71/823849671.db2.gz FVHSTVHQKJURDW-GOSISDBHSA-N 1 0 377.941 4.301 20 0 GIADRO C[C@H](NC(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000462165746 823850579 /nfs/dbraw/zinc/85/05/79/823850579.db2.gz CKCTYLMJEIICGA-HNNXBMFYSA-N 1 0 383.458 4.426 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21)c1ccc(NC(N)=O)cc1 ZINC000165488416 823850880 /nfs/dbraw/zinc/85/08/80/823850880.db2.gz UVIRCOIOEXXGCY-PIGZYNQJSA-N 1 0 379.382 4.414 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)c3c[nH]c4cc(F)ccc34)C2)s1 ZINC000574882604 823850974 /nfs/dbraw/zinc/85/09/74/823850974.db2.gz QZVLPQQEKGSVJC-OAHLLOKOSA-N 1 0 385.508 4.271 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCN(c2c(F)cccc2F)C1=O)c1cccc(N2CCCC2)c1 ZINC000126374032 823851431 /nfs/dbraw/zinc/85/14/31/823851431.db2.gz SPOOOVGCQPUCEU-FOIQADDNSA-N 1 0 385.458 4.021 20 0 GIADRO COc1cc([C@@H](C)[NH2+]CCNC(=O)c2ccccc2Cl)ccc1SC ZINC000165519191 823851944 /nfs/dbraw/zinc/85/19/44/823851944.db2.gz MVVMAPXYFSVQQV-CYBMUJFWSA-N 1 0 378.925 4.151 20 0 GIADRO Cc1cn(C)nc1C(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000413867327 823852970 /nfs/dbraw/zinc/85/29/70/823852970.db2.gz VCVQFTXAYGHGRS-QFIPXVFZSA-N 1 0 394.563 4.026 20 0 GIADRO CC[C@H](C)n1ncc(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c1C ZINC000574890815 823853109 /nfs/dbraw/zinc/85/31/09/823853109.db2.gz WOQHXJQBCFXKBM-RXVVDRJESA-N 1 0 382.552 4.195 20 0 GIADRO Cc1cc(Cl)ccc1NC(=O)C[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000192081679 823853453 /nfs/dbraw/zinc/85/34/53/823853453.db2.gz UNLTZALDZSGURN-IEBWSBKVSA-N 1 0 397.277 4.499 20 0 GIADRO O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)N[C@H]1CCO[C@H](c2ccccc2)C1 ZINC000462172898 823853634 /nfs/dbraw/zinc/85/36/34/823853634.db2.gz ZHYBZGZDAXWLTK-VABKMULXSA-N 1 0 399.579 4.251 20 0 GIADRO C[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2ccc(Cn3ccnc3)cc2)CN1C1CC1 ZINC000165576411 823854312 /nfs/dbraw/zinc/85/43/12/823854312.db2.gz JKIHSAFYHPDJSF-WMZHIEFXSA-N 1 0 386.543 4.313 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC000462175365 823854504 /nfs/dbraw/zinc/85/45/04/823854504.db2.gz KVLVCMAAFXKBEL-QVKFZJNVSA-N 1 0 381.907 4.001 20 0 GIADRO CC(=O)Nc1ccc(CC[NH2+][C@H](C)c2nnn(-c3cccc(Cl)c3)c2C)cc1 ZINC000165589791 823854837 /nfs/dbraw/zinc/85/48/37/823854837.db2.gz NAENENAXXJYVRH-CQSZACIVSA-N 1 0 397.910 4.081 20 0 GIADRO C[C@@H](NC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000192084015 823854760 /nfs/dbraw/zinc/85/47/60/823854760.db2.gz YWXQGEQVQSUXAJ-RYMBOPBQSA-N 1 0 390.886 4.165 20 0 GIADRO Cc1ccc(C)c(OC2CC[NH+]([C@H](C)C(=O)NCCc3ccc(F)cc3)CC2)c1 ZINC000064632016 823855201 /nfs/dbraw/zinc/85/52/01/823855201.db2.gz FOODWEBYLFTUAR-LJQANCHMSA-N 1 0 398.522 4.033 20 0 GIADRO COc1ccc(C(=O)N2C[C@@H]3CCC[N@@H+]3Cc3ccccc32)cc1-c1ccccn1 ZINC000165615412 823855299 /nfs/dbraw/zinc/85/52/99/823855299.db2.gz NAUUEERNSFOREM-FQEVSTJZSA-N 1 0 399.494 4.382 20 0 GIADRO COc1ccc(Cl)c(C[NH+]2CCC(C(=O)NCc3ccc(F)cc3)CC2)c1 ZINC000192087405 823855458 /nfs/dbraw/zinc/85/54/58/823855458.db2.gz STTZCVRFYYCBHG-UHFFFAOYSA-N 1 0 390.886 4.016 20 0 GIADRO Cc1nccn1-c1ccc(C[NH2+][C@H](C)[C@H](C)c2nc3ccccc3s2)cn1 ZINC000126395562 823856179 /nfs/dbraw/zinc/85/61/79/823856179.db2.gz JGVWIEYTSMHSMA-LSDHHAIUSA-N 1 0 377.517 4.467 20 0 GIADRO O=C(NCc1cccc(Cl)c1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000064643828 823856147 /nfs/dbraw/zinc/85/61/47/823856147.db2.gz RNYWAPLTONYYHL-INIZCTEOSA-N 1 0 377.941 4.113 20 0 GIADRO CC[C@@H]([NH2+][C@@H]1CCc2ccccc21)c1ccccc1OCC(=O)N1CCCC1 ZINC000165647745 823856913 /nfs/dbraw/zinc/85/69/13/823856913.db2.gz YIZWVUWWSLSUBH-FGZHOGPDSA-N 1 0 378.516 4.416 20 0 GIADRO COC(=O)c1ccc(C[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)cc1F ZINC000192091044 823857273 /nfs/dbraw/zinc/85/72/73/823857273.db2.gz CMVXQFOPFZKLIN-QZTJIDSGSA-N 1 0 381.806 4.025 20 0 GIADRO O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000574904601 823857924 /nfs/dbraw/zinc/85/79/24/823857924.db2.gz LNCGJZGGCIBTMS-JOCHJYFZSA-N 1 0 376.460 4.102 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(-c3ccccc3C(F)(F)F)on2)C1 ZINC000462183220 823858722 /nfs/dbraw/zinc/85/87/22/823858722.db2.gz BJBCQLJNRUGLCR-CQSZACIVSA-N 1 0 395.425 4.164 20 0 GIADRO CC[C@H]([NH2+][C@H](C)c1cc(F)cc(F)c1)c1ccccc1OCC(=O)N(C)C ZINC000165691907 823859598 /nfs/dbraw/zinc/85/95/98/823859598.db2.gz YTWGKFOPONJQML-KUHUBIRLSA-N 1 0 376.447 4.234 20 0 GIADRO CC(=O)c1cccc(OC[C@@H](O)C[NH2+]C[C@@H](C)c2ccc(C(F)(F)F)cc2)c1 ZINC000574912635 823859735 /nfs/dbraw/zinc/85/97/35/823859735.db2.gz QFNDOFDQGZRSDO-KUHUBIRLSA-N 1 0 395.421 4.041 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)NCC(C)(C)c2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000413889258 823859951 /nfs/dbraw/zinc/85/99/51/823859951.db2.gz MYRCZJVIQNZALV-UGKGYDQZSA-N 1 0 394.563 4.054 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]Cc1ccc(-n2ccnc2C)nc1 ZINC000126413866 823860932 /nfs/dbraw/zinc/86/09/32/823860932.db2.gz JRZLZGGWHKVGFX-CQSZACIVSA-N 1 0 390.516 4.253 20 0 GIADRO CC(=O)N(c1nc(CN2CCC[C@H]([NH+]3CCCCC3)C2)cs1)c1ccccc1 ZINC000165743006 823861669 /nfs/dbraw/zinc/86/16/69/823861669.db2.gz ZZKMBVXFAUPSPR-NRFANRHFSA-N 1 0 398.576 4.278 20 0 GIADRO Cc1ccc2nc(C)c(C(=O)Nc3ccc(OCC[NH+](C)C)cc3F)cc2c1 ZINC000413896088 823861668 /nfs/dbraw/zinc/86/16/68/823861668.db2.gz BHYILFMFZYBOHZ-UHFFFAOYSA-N 1 0 381.451 4.183 20 0 GIADRO Cc1ccc2c(CCC(=O)Nc3ccc(OCC[NH+](C)C)cc3F)c[nH]c2c1 ZINC000413896800 823861763 /nfs/dbraw/zinc/86/17/63/823861763.db2.gz CPEUNHCGLMRNAM-UHFFFAOYSA-N 1 0 383.467 4.127 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)C2(c3cccc(Cl)c3)CC2)c(F)c1 ZINC000413895608 823861917 /nfs/dbraw/zinc/86/19/17/823861917.db2.gz AQUQRYZQQCILLV-UHFFFAOYSA-N 1 0 376.859 4.090 20 0 GIADRO CC[C@@H](Sc1ccccc1)C(=O)Nc1ccc(OCC[NH+](C)C)cc1F ZINC000413901308 823862862 /nfs/dbraw/zinc/86/28/62/823862862.db2.gz MTHNKGQGXJFMCC-LJQANCHMSA-N 1 0 376.497 4.276 20 0 GIADRO Cc1c(C(=O)Nc2ccc(OCC[NH+](C)C)cc2F)cnn1C1CCCCC1 ZINC000413902304 823863275 /nfs/dbraw/zinc/86/32/75/823863275.db2.gz OQIHLXZEPRDQMX-UHFFFAOYSA-N 1 0 388.487 4.029 20 0 GIADRO Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c(Br)s1 ZINC000462194529 823864190 /nfs/dbraw/zinc/86/41/90/823864190.db2.gz ILEWXTGMTXNYOK-MLGOLLRUSA-N 1 0 393.350 4.069 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccccc1COC(C)(C)C ZINC000462196657 823865276 /nfs/dbraw/zinc/86/52/76/823865276.db2.gz QXSLLSSRKCFEIU-AVRDEDQJSA-N 1 0 380.532 4.252 20 0 GIADRO Cc1ccc(C[NH2+][C@H](C)c2ccc(NS(C)(=O)=O)cc2)c(OC(C)(C)C)c1 ZINC000165903126 823866018 /nfs/dbraw/zinc/86/60/18/823866018.db2.gz MFUKPWYZDBVOCH-MRXNPFEDSA-N 1 0 390.549 4.395 20 0 GIADRO C[C@@H](CC(=O)Nc1ccc(OCC[NH+](C)C)cc1F)c1c[nH]c2ccccc21 ZINC000413919552 823866110 /nfs/dbraw/zinc/86/61/10/823866110.db2.gz UFBGHTOEWWCWGJ-HNNXBMFYSA-N 1 0 383.467 4.380 20 0 GIADRO CN1CC[C@@H]([NH2+]Cc2cn3cc(Cl)ccc3n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000574945417 823867732 /nfs/dbraw/zinc/86/77/32/823867732.db2.gz HWPZAHXDHVQHTM-IEBWSBKVSA-N 1 0 393.293 4.315 20 0 GIADRO Cc1nc(C(F)(F)F)sc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000462202108 823868229 /nfs/dbraw/zinc/86/82/29/823868229.db2.gz LISWLCHFRGMFJO-WFASDCNBSA-N 1 0 397.466 4.111 20 0 GIADRO COC[C@]1(C[NH2+][C@H]2CCCSc3ccc(OC)cc32)OCCc2ccccc21 ZINC000574946382 823868365 /nfs/dbraw/zinc/86/83/65/823868365.db2.gz FEUCGPSRBRWLAM-GMAHTHKFSA-N 1 0 399.556 4.326 20 0 GIADRO COC[C@@]1(C[NH2+][C@H]2CCCSc3ccc(OC)cc32)OCCc2ccccc21 ZINC000574946383 823868491 /nfs/dbraw/zinc/86/84/91/823868491.db2.gz FEUCGPSRBRWLAM-JTHBVZDNSA-N 1 0 399.556 4.326 20 0 GIADRO CCC(CC)C(=O)N1CCC([NH2+][C@H](C)c2ccc(OC(F)F)c(OC)c2)CC1 ZINC000166044310 823868850 /nfs/dbraw/zinc/86/88/50/823868850.db2.gz VEYWMXBURSQNQO-CQSZACIVSA-N 1 0 398.494 4.374 20 0 GIADRO COc1ccc([C@@H](C)CC[NH2+][C@@H](C)CC(=O)Nc2cccnc2Cl)cc1 ZINC000166057708 823868874 /nfs/dbraw/zinc/86/88/74/823868874.db2.gz PVAFQTATGUXULB-GJZGRUSLSA-N 1 0 375.900 4.244 20 0 GIADRO CCc1c(C(=O)N[C@@H](C)CCC[NH+](CC)CC)cnn1-c1cccc(Cl)c1 ZINC000064712009 823869162 /nfs/dbraw/zinc/86/91/62/823869162.db2.gz UKDHGODLQGIODW-INIZCTEOSA-N 1 0 390.959 4.328 20 0 GIADRO CCN(CC)C(=O)c1ccc(C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)cc1 ZINC000166086306 823869459 /nfs/dbraw/zinc/86/94/59/823869459.db2.gz JOVKBNRNIOPADK-NFBKMPQASA-N 1 0 380.532 4.426 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CC[C@@H](C)c2ccc(OC)cc2)cc1 ZINC000166101290 823869484 /nfs/dbraw/zinc/86/94/84/823869484.db2.gz ODJZHXJRYQGMFK-IAGOWNOFSA-N 1 0 390.549 4.301 20 0 GIADRO FC(F)(F)COc1ncccc1C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000166118453 823869951 /nfs/dbraw/zinc/86/99/51/823869951.db2.gz ZRXKITLCQQZZAV-CRAIPNDOSA-N 1 0 380.410 4.280 20 0 GIADRO FC(F)(F)COc1ncccc1C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000166118197 823870139 /nfs/dbraw/zinc/87/01/39/823870139.db2.gz ZRXKITLCQQZZAV-MAUKXSAKSA-N 1 0 380.410 4.280 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CC[C@H](C)c2ccc(OC)cc2)cc1 ZINC000166101514 823870201 /nfs/dbraw/zinc/87/02/01/823870201.db2.gz ODJZHXJRYQGMFK-DLBZAZTESA-N 1 0 390.549 4.301 20 0 GIADRO Cc1noc(C)c1CCC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000166138193 823870567 /nfs/dbraw/zinc/87/05/67/823870567.db2.gz GHEKJBVQFGZSJP-CQSZACIVSA-N 1 0 377.916 4.065 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)Cn2ccc3ccc(Cl)cc32)C1 ZINC000064720442 823871142 /nfs/dbraw/zinc/87/11/42/823871142.db2.gz XTYZWWLABVHGJE-CALCHBBNSA-N 1 0 375.944 4.169 20 0 GIADRO C[NH+](C)Cc1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)c(F)c1 ZINC000413939115 823872087 /nfs/dbraw/zinc/87/20/87/823872087.db2.gz NTDHAIIFYMYXII-UHFFFAOYSA-N 1 0 390.886 4.228 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)C(C)(C)c1cccc(Cl)c1 ZINC000413938222 823872143 /nfs/dbraw/zinc/87/21/43/823872143.db2.gz KKXLUOPEHIPXPO-UHFFFAOYSA-N 1 0 390.911 4.205 20 0 GIADRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)c1sc(C(F)(F)F)nc1C ZINC000462209082 823872498 /nfs/dbraw/zinc/87/24/98/823872498.db2.gz CKDOZRRXUWEAAA-QWHCGFSZSA-N 1 0 377.476 4.101 20 0 GIADRO CC(C)NC(=O)Nc1ccc(C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)cc1 ZINC000166247226 823873420 /nfs/dbraw/zinc/87/34/20/823873420.db2.gz MEIUFNQLGCEAGH-DENIHFKCSA-N 1 0 381.520 4.474 20 0 GIADRO COC(=O)c1ccc(Cl)c(C[NH2+][C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000192135300 823873446 /nfs/dbraw/zinc/87/34/46/823873446.db2.gz ROENSRMLVDPTOA-QZTJIDSGSA-N 1 0 381.806 4.025 20 0 GIADRO CC(C)NC(=O)Nc1ccc(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)cc1 ZINC000166246868 823873429 /nfs/dbraw/zinc/87/34/29/823873429.db2.gz MEIUFNQLGCEAGH-UGKGYDQZSA-N 1 0 381.520 4.474 20 0 GIADRO C[C@@H]1C[C@H](c2ccccc2)[N@H+](Cc2ccccc2OCC(=O)N2CCCC2)C1 ZINC000574962412 823873583 /nfs/dbraw/zinc/87/35/83/823873583.db2.gz RWTOSSHBOTWPLA-DENIHFKCSA-N 1 0 378.516 4.271 20 0 GIADRO CCOc1ccc(C(C)=O)cc1C[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000192136050 823873923 /nfs/dbraw/zinc/87/39/23/823873923.db2.gz QIRKUFVMLWJEGT-CTNGQTDRSA-N 1 0 375.415 4.186 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccncc1C(F)(F)F ZINC000192136445 823873929 /nfs/dbraw/zinc/87/39/29/823873929.db2.gz PNVXKMAQFZCSNU-UHFFFAOYSA-N 1 0 377.410 4.016 20 0 GIADRO CCc1cccc(CC)c1NC(=O)C[NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000192136597 823874504 /nfs/dbraw/zinc/87/45/04/823874504.db2.gz PYRYQVDCTKSFMT-UGKGYDQZSA-N 1 0 388.458 4.148 20 0 GIADRO C[C@H]([NH2+][C@H]1C[C@@H](C)N(C2CC2)C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000166310595 823875184 /nfs/dbraw/zinc/87/51/84/823875184.db2.gz YBILSCQURIRSKR-WOPDTQHZSA-N 1 0 376.394 4.165 20 0 GIADRO Cc1cc(NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)ccc1Oc1ccncc1 ZINC000574970834 823876556 /nfs/dbraw/zinc/87/65/56/823876556.db2.gz QKWDENYXNJAAII-IBGZPJMESA-N 1 0 397.544 4.338 20 0 GIADRO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)Nc1ccc(OCc2ccccn2)c(Cl)c1 ZINC000166393531 823876991 /nfs/dbraw/zinc/87/69/91/823876991.db2.gz HPLTVOIAXMRPHW-MQVJKMGUSA-N 1 0 385.895 4.173 20 0 GIADRO [NH3+]C[C@@H]1CCCN(C(=O)Nc2ccc(Oc3cccc(C(F)(F)F)n3)cc2)C1 ZINC000574972904 823877456 /nfs/dbraw/zinc/87/74/56/823877456.db2.gz SYAPHPFIIILCBW-ZDUSSCGKSA-N 1 0 394.397 4.095 20 0 GIADRO Cc1ccc([C@H](NC(=O)N2CCC[C@H](C[NH3+])C2)c2ccc(F)cc2Cl)cc1 ZINC000574975144 823877995 /nfs/dbraw/zinc/87/79/95/823877995.db2.gz PCWZQILONMPUGN-QRWLVFNGSA-N 1 0 389.902 4.257 20 0 GIADRO Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+][C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000166485701 823878634 /nfs/dbraw/zinc/87/86/34/823878634.db2.gz WADIKMKTOLUZDX-GDBMZVCRSA-N 1 0 399.539 4.311 20 0 GIADRO Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+][C@H]1CCCN(c2cnn(C)c2)C1 ZINC000166574944 823879489 /nfs/dbraw/zinc/87/94/89/823879489.db2.gz LVZAXMNDOMQRLR-APWZRJJASA-N 1 0 395.576 4.095 20 0 GIADRO O=C(CC[NH2+]Cc1cccc2c1OCO2)Nc1ccc(Oc2ccccc2)cc1 ZINC000574987947 823880221 /nfs/dbraw/zinc/88/02/21/823880221.db2.gz PBGYHBSSXHRWIC-UHFFFAOYSA-N 1 0 390.439 4.326 20 0 GIADRO COc1cccc([C@@H](CNC(=O)N2CCC[C@H]2c2ccc(C)c(C)c2)[NH+](C)C)c1 ZINC000064753644 823880312 /nfs/dbraw/zinc/88/03/12/823880312.db2.gz IAYPJCHPHRNPRR-XZOQPEGZSA-N 1 0 395.547 4.461 20 0 GIADRO CCOc1ccc([C@@H]([NH2+]C[C@H]2CC3(CCC3)C(=O)O2)C(C)C)cc1OCC ZINC000192148939 823880614 /nfs/dbraw/zinc/88/06/14/823880614.db2.gz SSEKHARSKFXXIO-XLIONFOSSA-N 1 0 375.509 4.257 20 0 GIADRO C[C@@H]([NH2+]C[C@@H]1CC2(CCC2)C(=O)O1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000192149663 823881118 /nfs/dbraw/zinc/88/11/18/823881118.db2.gz SVOHFHIQBHRQLD-UZLBHIALSA-N 1 0 378.472 4.075 20 0 GIADRO COc1cccc([C@@H](O)C[N@H+](CCc2c(C)noc2C)Cc2ccccc2)c1 ZINC000166681505 823881313 /nfs/dbraw/zinc/88/13/13/823881313.db2.gz QHWZISDLCWYZKC-QHCPKHFHSA-N 1 0 380.488 4.078 20 0 GIADRO COc1cccc([C@H](O)C[N@H+](CCc2c(C)noc2C)Cc2ccccc2)c1 ZINC000166681613 823881335 /nfs/dbraw/zinc/88/13/35/823881335.db2.gz QHWZISDLCWYZKC-HSZRJFAPSA-N 1 0 380.488 4.078 20 0 GIADRO CSCC[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(Br)cc1Cl ZINC000126486482 823881397 /nfs/dbraw/zinc/88/13/97/823881397.db2.gz GZTOIWTWAZPMSG-SNVBAGLBSA-N 1 0 379.751 4.114 20 0 GIADRO CN(C)c1ccc(N2CCC([NH2+][C@H](C[C@@H]3CCOC3)c3ccccc3)CC2)cc1 ZINC000166714387 823881812 /nfs/dbraw/zinc/88/18/12/823881812.db2.gz HDNRCOUAXJSNEC-NBGIEHNGSA-N 1 0 393.575 4.479 20 0 GIADRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)C[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000574997667 823882735 /nfs/dbraw/zinc/88/27/35/823882735.db2.gz GVMKVBFAAXGRRC-HXUWFJFHSA-N 1 0 382.552 4.093 20 0 GIADRO Cc1c(Br)cccc1C[NH+]1CCC(c2noc(C3CC3)n2)CC1 ZINC000462227704 823882799 /nfs/dbraw/zinc/88/27/99/823882799.db2.gz BBLSYNZYNGOBIC-UHFFFAOYSA-N 1 0 376.298 4.398 20 0 GIADRO C[C@H](SCc1ccccc1)C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000126493086 823883192 /nfs/dbraw/zinc/88/31/92/823883192.db2.gz CIBJBSFULFINME-SFHVURJKSA-N 1 0 383.561 4.078 20 0 GIADRO C[NH+](C)Cc1ccccc1NC(=O)c1cc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000575004170 823884386 /nfs/dbraw/zinc/88/43/86/823884386.db2.gz BAYZXBQSPYNQPU-UHFFFAOYSA-N 1 0 377.366 4.380 20 0 GIADRO CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000166969392 823884617 /nfs/dbraw/zinc/88/46/17/823884617.db2.gz DCDIJSZNRVTNKI-CZAAIQMYSA-N 1 0 376.504 4.056 20 0 GIADRO C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1)c1cncc(Br)c1 ZINC000575003664 823884604 /nfs/dbraw/zinc/88/46/04/823884604.db2.gz UCELUAPSVVHGHD-FJNPEDAXSA-N 1 0 396.279 4.218 20 0 GIADRO C[C@@H](c1ccccc1F)N1CCC[C@@H](NCc2coc(-c3ccccc3)n2)C1=O ZINC000575006371 823885175 /nfs/dbraw/zinc/88/51/75/823885175.db2.gz YQSLPQSMZQXMJO-HRAATJIYSA-N 1 0 393.462 4.323 20 0 GIADRO CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3ccc(-n4ccnc4)cc3C)ccc2NC1=O ZINC000192159782 823885377 /nfs/dbraw/zinc/88/53/77/823885377.db2.gz LGWROGFYULNDSO-HRAATJIYSA-N 1 0 390.487 4.141 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1ccccc1C(F)(F)F ZINC000462233439 823886421 /nfs/dbraw/zinc/88/64/21/823886421.db2.gz QMXLFXXXCDSPOE-KBXCAEBGSA-N 1 0 377.410 4.347 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)c3cccc(-n4cccc4)c3)C2)s1 ZINC000575009790 823886633 /nfs/dbraw/zinc/88/66/33/823886633.db2.gz FJDSUYCVIBHOGH-LJQANCHMSA-N 1 0 393.556 4.441 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)CCSc1ccccc1F ZINC000126507969 823887082 /nfs/dbraw/zinc/88/70/82/823887082.db2.gz YZJAPVRTUNBQGH-UHFFFAOYSA-N 1 0 387.524 4.078 20 0 GIADRO O=C(c1cccnc1Nc1ccccc1F)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000126510400 823887415 /nfs/dbraw/zinc/88/74/15/823887415.db2.gz YITOYNQPDBGSCM-HRAATJIYSA-N 1 0 394.494 4.053 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C)cc1OC[C@H]1CCOC1)CCCO2 ZINC000167167151 823887447 /nfs/dbraw/zinc/88/74/47/823887447.db2.gz VEANSTGPHPRLMM-PGRDOPGGSA-N 1 0 397.515 4.422 20 0 GIADRO O=C(c1cccnc1Nc1ccccc1F)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000126510164 823887591 /nfs/dbraw/zinc/88/75/91/823887591.db2.gz YITOYNQPDBGSCM-IERDGZPVSA-N 1 0 394.494 4.053 20 0 GIADRO O=S1(=O)CCC[C@H](C[NH2+][C@H](Cc2ccc(F)cc2)c2ccccc2Cl)C1 ZINC000575013676 823888150 /nfs/dbraw/zinc/88/81/50/823888150.db2.gz YTWADTMHZPXBRB-OXQOHEQNSA-N 1 0 395.927 4.177 20 0 GIADRO CCC(CC)[N@H+](CCOC)Cc1nnc(-c2c(C)onc2-c2ccccc2)o1 ZINC000064806543 823888556 /nfs/dbraw/zinc/88/85/56/823888556.db2.gz BOBCDVWXBYULAL-UHFFFAOYSA-N 1 0 384.480 4.337 20 0 GIADRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(-n3ccnc3)cc2)c(OC[C@H]2CCOC2)c1 ZINC000167200703 823888728 /nfs/dbraw/zinc/88/87/28/823888728.db2.gz QXSPCYLNTQLECJ-PMACEKPBSA-N 1 0 391.515 4.447 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(C)cc2OC[C@H]2CCOC2)cc1OC ZINC000167212196 823888911 /nfs/dbraw/zinc/88/89/11/823888911.db2.gz HXGNGFVAFNWGSX-MSOLQXFVSA-N 1 0 385.504 4.278 20 0 GIADRO O=C(c1ccoc1)N1CCC([NH2+][C@@H]2CCCOc3cc4c(cc32)CCCC4)CC1 ZINC000126516322 823889052 /nfs/dbraw/zinc/88/90/52/823889052.db2.gz UIZJINXPVKJIPT-JOCHJYFZSA-N 1 0 394.515 4.267 20 0 GIADRO COCCCOc1cc(C)ccc1C[NH2+][C@H]1CCCOc2ccc(OC)cc21 ZINC000167230041 823889248 /nfs/dbraw/zinc/88/92/48/823889248.db2.gz UOWHZPIXIONNBR-NRFANRHFSA-N 1 0 385.504 4.422 20 0 GIADRO COCCCOc1cc(C)ccc1C[NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000167250371 823889456 /nfs/dbraw/zinc/88/94/56/823889456.db2.gz NHPJFSDVRRJHRK-LJQANCHMSA-N 1 0 396.531 4.388 20 0 GIADRO OCC1CC[NH+](Cc2ccccc2NCCCOc2cccc(Cl)c2)CC1 ZINC000462238633 823889789 /nfs/dbraw/zinc/88/97/89/823889789.db2.gz OQRBGSBFJLVUEM-UHFFFAOYSA-N 1 0 388.939 4.425 20 0 GIADRO [NH3+][C@@H]1CCCN(C(=O)Nc2nc(C3CC3)c(Cc3ccccc3Cl)s2)C1 ZINC000575022687 823890580 /nfs/dbraw/zinc/89/05/80/823890580.db2.gz PCESKYWXVKOGKQ-CQSZACIVSA-N 1 0 390.940 4.220 20 0 GIADRO CCN(CC)[C@H](C[NH2+]Cc1ccccc1N1CCO[C@@H](C)C1)c1ccsc1 ZINC000575023416 823891084 /nfs/dbraw/zinc/89/10/84/823891084.db2.gz GENPJISEQZCRFR-PGRDOPGGSA-N 1 0 387.593 4.146 20 0 GIADRO COc1cc(-c2noc(-c3csc(Cl)c3)n2)ccc1OCC[NH+](C)C ZINC000575024476 823891142 /nfs/dbraw/zinc/89/11/42/823891142.db2.gz CZUKQDDPYCEHKC-UHFFFAOYSA-N 1 0 379.869 4.068 20 0 GIADRO O=C(c1cccc2c3c([nH]c21)CCCC3)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000126537608 823893267 /nfs/dbraw/zinc/89/32/67/823893267.db2.gz UFOIYIQTXASWKG-KSFYIVLOSA-N 1 0 377.532 4.136 20 0 GIADRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)s1 ZINC000575031185 823893546 /nfs/dbraw/zinc/89/35/46/823893546.db2.gz OXTIWFFLPWPVMG-CYGHRXIMSA-N 1 0 386.565 4.065 20 0 GIADRO COc1cc([C@H](C)[NH2+]Cc2ccc(C)cc2OC(C)C)ccc1S(C)(=O)=O ZINC000167695312 823894659 /nfs/dbraw/zinc/89/46/59/823894659.db2.gz YFNVMVWNYTWPQR-INIZCTEOSA-N 1 0 391.533 4.045 20 0 GIADRO O=C(CC1CC[NH2+]CC1)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)nc1 ZINC000167698334 823894765 /nfs/dbraw/zinc/89/47/65/823894765.db2.gz JFUUJBRFGISZKJ-UHFFFAOYSA-N 1 0 379.382 4.221 20 0 GIADRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]C[C@@H]3CC4(CCC4)C(=O)O3)s2)cc1 ZINC000192182925 823894852 /nfs/dbraw/zinc/89/48/52/823894852.db2.gz GPRIRCAJJJTFCO-GUYCJALGSA-N 1 0 386.517 4.264 20 0 GIADRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]C[C@H]3CC4(CCC4)C(=O)O3)s2)cc1 ZINC000192182931 823894907 /nfs/dbraw/zinc/89/49/07/823894907.db2.gz GPRIRCAJJJTFCO-CXAGYDPISA-N 1 0 386.517 4.264 20 0 GIADRO CSC1(CNC(=O)c2ccc(OCC3CCCCC3)cc2)CC[NH+](C)CC1 ZINC000575034043 823894979 /nfs/dbraw/zinc/89/49/79/823894979.db2.gz SLLBZBHQUDOQKO-UHFFFAOYSA-N 1 0 390.593 4.203 20 0 GIADRO COc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(N2CCCC2)c1 ZINC000126548225 823895823 /nfs/dbraw/zinc/89/58/23/823895823.db2.gz VCDGXDNSBZZYNP-QYZOEREBSA-N 1 0 395.547 4.212 20 0 GIADRO COc1ccc(C[C@H]([NH2+][C@H](C)c2cc3n(n2)CCC3)c2ccc(OC)cc2)cc1 ZINC000414054893 823896658 /nfs/dbraw/zinc/89/66/58/823896658.db2.gz BWZSDNYBQFQSNS-OSPHWJPCSA-N 1 0 391.515 4.481 20 0 GIADRO Cc1nc(-c2ccco2)ccc1C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000126552720 823897284 /nfs/dbraw/zinc/89/72/84/823897284.db2.gz DNUYUPIVJHTVLP-UHFFFAOYSA-N 1 0 390.487 4.034 20 0 GIADRO CCNC(=O)c1ccc(C[NH2+][C@H]2CCCOc3cc4c(cc32)CCCC4)cc1 ZINC000126554633 823897648 /nfs/dbraw/zinc/89/76/48/823897648.db2.gz GHNAYMZKXBKQNC-QFIPXVFZSA-N 1 0 378.516 4.319 20 0 GIADRO CCN(C(=O)CCc1c(C)noc1Cl)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000126554016 823897842 /nfs/dbraw/zinc/89/78/42/823897842.db2.gz UOIUIYXGGMTDJH-WMZOPIPTSA-N 1 0 389.927 4.253 20 0 GIADRO CC(C)c1nc2n(n1)CCC[C@H]2[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000167986061 823898800 /nfs/dbraw/zinc/89/88/00/823898800.db2.gz DLPYZTNLMWJMML-LJQANCHMSA-N 1 0 387.959 4.144 20 0 GIADRO COc1ccc(C[C@@H](C)[NH2+][C@@H](C)c2cccc(OCc3ccccn3)c2)cn1 ZINC000414063618 823899077 /nfs/dbraw/zinc/89/90/77/823899077.db2.gz DYXQCOTWAYLWHZ-MSOLQXFVSA-N 1 0 377.488 4.346 20 0 GIADRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](c1ccccc1)c1cccc(Br)c1)CC2 ZINC000414066771 823899925 /nfs/dbraw/zinc/89/99/25/823899925.db2.gz HOEACGYONQBUBL-QUCCMNQESA-N 1 0 397.320 4.043 20 0 GIADRO COC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000168117409 823900121 /nfs/dbraw/zinc/90/01/21/823900121.db2.gz WCKBCDVGYOYSPQ-FDDCHVKYSA-N 1 0 389.499 4.242 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCN(c2ncccc2F)C1)c1ccc(F)c(Br)c1 ZINC000168127239 823900134 /nfs/dbraw/zinc/90/01/34/823900134.db2.gz QGQDCFMUOAWKCH-DGCLKSJQSA-N 1 0 382.252 4.052 20 0 GIADRO CN1CCC[C@H](C[NH2+]C[C@H](O)Cc2ccc3ccccc3c2)[C@@H]1c1cccs1 ZINC000575053507 823900921 /nfs/dbraw/zinc/90/09/21/823900921.db2.gz ODPLAAZJQLOHNJ-CQOQZXRMSA-N 1 0 394.584 4.477 20 0 GIADRO Cc1noc(C)c1[C@@H](C)[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000168230236 823901614 /nfs/dbraw/zinc/90/16/14/823901614.db2.gz QWBKPBXZPCGWQY-GHMZBOCLSA-N 1 0 380.286 4.122 20 0 GIADRO COc1cccc(C[C@H]([NH2+]CCc2nnc3n2CCCCC3)c2ccccc2)c1 ZINC000126571581 823902190 /nfs/dbraw/zinc/90/21/90/823902190.db2.gz YZLVURRRTVABGN-QFIPXVFZSA-N 1 0 390.531 4.129 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCCC2)c1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000168363905 823902543 /nfs/dbraw/zinc/90/25/43/823902543.db2.gz YTCLUNRPLSVTLP-JKSUJKDBSA-N 1 0 390.524 4.241 20 0 GIADRO O=c1[nH]c(CN[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)nc2cc(Cl)ccc21 ZINC000575065820 823902680 /nfs/dbraw/zinc/90/26/80/823902680.db2.gz FNSDNIBYSPIHLI-CRAIPNDOSA-N 1 0 390.270 4.262 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1nnc([C@@H]2CCCS2)n1C1CC1 ZINC000575066825 823903056 /nfs/dbraw/zinc/90/30/56/823903056.db2.gz HIKOIJSCLIUJNM-ICSRJNTNSA-N 1 0 397.592 4.139 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1cc(-c2ccccn2)ccc1Cl)c1cccs1 ZINC000168480755 823903282 /nfs/dbraw/zinc/90/32/82/823903282.db2.gz OGIJKJVIHMKCDB-GOSISDBHSA-N 1 0 385.920 4.496 20 0 GIADRO COC(=O)c1cnc([C@H](C)NCc2cccc(C[NH+]3CCCCCC3)c2)s1 ZINC000414077961 823903989 /nfs/dbraw/zinc/90/39/89/823903989.db2.gz QMTOHMYDDYWXBM-INIZCTEOSA-N 1 0 387.549 4.157 20 0 GIADRO CC(C)(C)O[C@H]1C[C@H]([NH2+]C2CCN(C(=O)CCc3ccccc3)CC2)C1(C)C ZINC000414086331 823905994 /nfs/dbraw/zinc/90/59/94/823905994.db2.gz ZHQYGFZKFPLMGO-SFTDATJTSA-N 1 0 386.580 4.182 20 0 GIADRO O=C(c1cccc(C[NH2+][C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)c1)N1CCOCC1 ZINC000414085860 823906131 /nfs/dbraw/zinc/90/61/31/823906131.db2.gz YXDGWGQNKJLYLG-DENIHFKCSA-N 1 0 398.934 4.238 20 0 GIADRO C[C@H]([NH2+][C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1)[C@H]1C[C@H]1C ZINC000414092081 823907501 /nfs/dbraw/zinc/90/75/01/823907501.db2.gz MHFRNRUTOQTOCV-CFDPKNGZSA-N 1 0 379.472 4.092 20 0 GIADRO CC[C@H]([NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1)[C@@H]1C[C@@H]1C ZINC000414094402 823907999 /nfs/dbraw/zinc/90/79/99/823907999.db2.gz OSAWKRYDFKIKOA-SNLNFDIBSA-N 1 0 393.499 4.482 20 0 GIADRO CC(C)(C)C[C@@H]([NH2+]C[C@@H](O)C1CCOCC1)c1ccc(Br)cc1 ZINC000414097678 823908619 /nfs/dbraw/zinc/90/86/19/823908619.db2.gz PPDSKQIAIXPJDF-QZTJIDSGSA-N 1 0 384.358 4.304 20 0 GIADRO COc1cc(C[NH2+][C@@H](C)[C@H]2COc3ccccc32)ccc1OCc1ccncc1 ZINC000169104944 823908716 /nfs/dbraw/zinc/90/87/16/823908716.db2.gz BTIHPAPQXJPDIV-LAUBAEHRSA-N 1 0 390.483 4.324 20 0 GIADRO C[C@H](NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1csc(-c2ccccc2)n1 ZINC000414096396 823908762 /nfs/dbraw/zinc/90/87/62/823908762.db2.gz QNCSFDYMQJXUKI-ORYQWCPZSA-N 1 0 385.577 4.229 20 0 GIADRO COc1cc(C[NH2+][C@@H](C)[C@@H]2COc3ccccc32)ccc1OCC(F)(F)F ZINC000169111792 823908800 /nfs/dbraw/zinc/90/88/00/823908800.db2.gz KQOXRNDYNSJMDZ-BBRMVZONSA-N 1 0 381.394 4.291 20 0 GIADRO COc1ccc(C[NH2+][C@@H](C)[C@@H]2COc3ccccc32)cc1OCc1cccnc1 ZINC000169164830 823909078 /nfs/dbraw/zinc/90/90/78/823909078.db2.gz IXDCEOBMMGSMEL-UWJYYQICSA-N 1 0 390.483 4.324 20 0 GIADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)[NH2+][C@@H](C)c1cc2n(n1)CCC2 ZINC000414098020 823909226 /nfs/dbraw/zinc/90/92/26/823909226.db2.gz JMJJHQLPHUPNBT-LXIYXOSZSA-N 1 0 378.314 4.019 20 0 GIADRO CCc1nn(C)c(CC)c1C[NH2+]Cc1cn(-c2ccccc2)nc1C(C)(C)C ZINC000169266386 823910134 /nfs/dbraw/zinc/91/01/34/823910134.db2.gz DHQWZBGZSXANNE-UHFFFAOYSA-N 1 0 379.552 4.318 20 0 GIADRO C[N@H+](CCNC(=O)c1cc(-c2ccccn2)ccc1Cl)Cc1ccccc1 ZINC000169262355 823910374 /nfs/dbraw/zinc/91/03/74/823910374.db2.gz KCVKABAWGLKROC-UHFFFAOYSA-N 1 0 379.891 4.264 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1)c1ccco1 ZINC000575094210 823910499 /nfs/dbraw/zinc/91/04/99/823910499.db2.gz UGXBJEAWVJOVBY-AZUAARDMSA-N 1 0 387.499 4.076 20 0 GIADRO COC(=O)c1cnc([C@@H](C)[NH2+]CCc2nc(C3CCCCC3)cs2)s1 ZINC000414107554 823911606 /nfs/dbraw/zinc/91/16/06/823911606.db2.gz ZABBKOWIDHHJAZ-GFCCVEGCSA-N 1 0 379.551 4.327 20 0 GIADRO CC[C@H]([NH2+][C@H](c1ccc(OC)cc1)c1cccc(S(C)(=O)=O)c1)[C@@H]1C[C@@H]1C ZINC000414108872 823911949 /nfs/dbraw/zinc/91/19/49/823911949.db2.gz KESHMTLRWGUWJM-QWIYEXKTSA-N 1 0 387.545 4.212 20 0 GIADRO Brc1cccc([C@@H]([NH2+][C@@H]2CCc3nc[nH]c3C2)c2ccccc2)c1 ZINC000414114246 823913026 /nfs/dbraw/zinc/91/30/26/823913026.db2.gz AIJPTEUHXFRNLK-XLIONFOSSA-N 1 0 382.305 4.409 20 0 GIADRO C[C@@H]1C(=O)CC[C@@H](C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)C1(C)C ZINC000575103347 823913398 /nfs/dbraw/zinc/91/33/98/823913398.db2.gz UKWSHAMONRRKDX-GIVPXCGWSA-N 1 0 384.564 4.046 20 0 GIADRO CCOc1ccc(F)c(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1F ZINC000462290050 823913733 /nfs/dbraw/zinc/91/37/33/823913733.db2.gz KRKXXGVJMWCFJE-WMLDXEAASA-N 1 0 389.446 4.006 20 0 GIADRO Brc1cccc([C@H]([NH2+][C@H]2CCc3c[nH]nc3C2)c2ccccc2)c1 ZINC000414118812 823913904 /nfs/dbraw/zinc/91/39/04/823913904.db2.gz VUUQOIHNKQVDAG-AZUAARDMSA-N 1 0 382.305 4.409 20 0 GIADRO COc1ccc(CN(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)[C@H](C)C2CC2)cc1 ZINC000575106916 823914618 /nfs/dbraw/zinc/91/46/18/823914618.db2.gz FYDDKGODUASVBL-MRXNPFEDSA-N 1 0 379.504 4.174 20 0 GIADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H](C)c1cccc(O)c1 ZINC000126632178 823915366 /nfs/dbraw/zinc/91/53/66/823915366.db2.gz SKJNNYVZCYISKN-CHWSQXEVSA-N 1 0 377.282 4.223 20 0 GIADRO COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CCc1cccc(Br)c1 ZINC000414131300 823916375 /nfs/dbraw/zinc/91/63/75/823916375.db2.gz YYTBJDBQNOBFHH-CYBMUJFWSA-N 1 0 391.309 4.309 20 0 GIADRO COCCOC1(C[NH2+][C@H]2CCC[C@H](c3cccc(Cl)c3)C2)CCOCC1 ZINC000414136181 823916909 /nfs/dbraw/zinc/91/69/09/823916909.db2.gz IRIOYJKAYPKMGO-ICSRJNTNSA-N 1 0 381.944 4.168 20 0 GIADRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000575126826 823918354 /nfs/dbraw/zinc/91/83/54/823918354.db2.gz RUJREXWWGAAKLS-VBHSOAQHSA-N 1 0 393.409 4.009 20 0 GIADRO COC(=O)c1cc(C[N@H+](C)CCC(=O)Nc2cc(Cl)ccc2Cl)oc1C ZINC000126649217 823919469 /nfs/dbraw/zinc/91/94/69/823919469.db2.gz LGJGQKGLWQPTQZ-UHFFFAOYSA-N 1 0 399.274 4.142 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1cncc(F)c1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000414154821 823919601 /nfs/dbraw/zinc/91/96/01/823919601.db2.gz LOAKNQVRKJTTDF-GJZGRUSLSA-N 1 0 376.497 4.349 20 0 GIADRO CC(C)(C)[C@H](Cc1ccccc1C(F)(F)F)NC(=O)N1CC[NH+]2CCC1CC2 ZINC000462308416 823919622 /nfs/dbraw/zinc/91/96/22/823919622.db2.gz KJWSRESFQWZPAA-SFHVURJKSA-N 1 0 397.485 4.152 20 0 GIADRO Cc1c(Cl)cccc1S(=O)(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000462307846 823919647 /nfs/dbraw/zinc/91/96/47/823919647.db2.gz YIKUPRAOLJZHKH-KSSFIOAISA-N 1 0 398.981 4.071 20 0 GIADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2C)c1 ZINC000575137004 823920770 /nfs/dbraw/zinc/92/07/70/823920770.db2.gz GBXGQLOVQAZTKB-UHFFFAOYSA-N 1 0 399.583 4.137 20 0 GIADRO CO[C@@H]([C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F)C1CC1 ZINC000414163231 823921033 /nfs/dbraw/zinc/92/10/33/823921033.db2.gz FSFFEWOZBNJCRJ-YHAQOWFVSA-N 1 0 378.822 4.089 20 0 GIADRO C[C@@H]([NH2+][C@H]1c2sccc2OC(C)(C)[C@@H]1O)c1ccc(Br)s1 ZINC000414166579 823921448 /nfs/dbraw/zinc/92/14/48/823921448.db2.gz FEKRREUDCPGHDL-CWONEXCFSA-N 1 0 388.352 4.496 20 0 GIADRO COc1ccc([C@@H](CO)C[NH2+][C@H](Cc2cccnc2)c2ccc(Cl)cc2)cc1 ZINC000414169190 823921837 /nfs/dbraw/zinc/92/18/37/823921837.db2.gz ATYZPWTYMVQZMC-NFBKMPQASA-N 1 0 396.918 4.393 20 0 GIADRO CCC[C@H]([NH2+]C[C@@H](CO)Cc1cc(F)cc(Br)c1)c1cccnc1 ZINC000414171916 823922252 /nfs/dbraw/zinc/92/22/52/823922252.db2.gz DLFPORSUVVPYIH-KXBFYZLASA-N 1 0 395.316 4.265 20 0 GIADRO COc1ccccc1[C@H]1[C@@H]([NH3+])CCCN1C(=O)Cc1csc2ccccc12 ZINC000575144610 823923011 /nfs/dbraw/zinc/92/30/11/823923011.db2.gz UZDGGBUQCAFYHG-AVRDEDQJSA-N 1 0 380.513 4.143 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)N1CCC(c2ccncc2)CC1)c1ccccc1 ZINC000192267092 823923116 /nfs/dbraw/zinc/92/31/16/823923116.db2.gz AGECDUKSMGTBMF-QFIPXVFZSA-N 1 0 380.536 4.054 20 0 GIADRO CC(C)(C[NH2+]Cc1conc1Cc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000575153535 823925000 /nfs/dbraw/zinc/92/50/00/823925000.db2.gz FJQUIIOTFHKDKW-UHFFFAOYSA-N 1 0 378.472 4.104 20 0 GIADRO CCS(=O)(=O)c1ccc2oc(C[N@H+](CC3CC3)C3CCCCC3)nc2c1 ZINC000126679783 823925837 /nfs/dbraw/zinc/92/58/37/823925837.db2.gz DOQCVKYXFHUJCD-UHFFFAOYSA-N 1 0 376.522 4.166 20 0 GIADRO COc1ccc(F)cc1[C@H](C)[NH2+]Cc1cc(OC)c(OCC(F)F)c(OC)c1 ZINC000575157053 823926368 /nfs/dbraw/zinc/92/63/68/823926368.db2.gz KSQLOCXSNPWSPH-LBPRGKRZSA-N 1 0 399.409 4.346 20 0 GIADRO Cc1ccc(-c2nc(CN3CC[C@H](CNC(=O)OC(C)(C)C)C3)cs2)cc1 ZINC000170648237 823926557 /nfs/dbraw/zinc/92/65/57/823926557.db2.gz IFFIFDFQUANRKN-MRXNPFEDSA-N 1 0 387.549 4.465 20 0 GIADRO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC000170647788 823926675 /nfs/dbraw/zinc/92/66/75/823926675.db2.gz ULFCDPGZETYTLF-KRWDZBQOSA-N 1 0 397.519 4.015 20 0 GIADRO O=C(Nc1ccc(Oc2cccnc2)cc1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000575158682 823926696 /nfs/dbraw/zinc/92/66/96/823926696.db2.gz FKHHAMDEIHUXBB-GOSISDBHSA-N 1 0 380.492 4.214 20 0 GIADRO C[C@@H](N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000126690198 823927543 /nfs/dbraw/zinc/92/75/43/823927543.db2.gz BVJLCFCTWOVFJA-HUUCEWRRSA-N 1 0 377.454 4.268 20 0 GIADRO CCn1ccc(C[NH2+][C@H](C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)n1 ZINC000414207490 823928477 /nfs/dbraw/zinc/92/84/77/823928477.db2.gz KEIZPBUBBXVQSF-LLVKDONJSA-N 1 0 388.821 4.082 20 0 GIADRO Cc1cc(C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)ccc1NC(=O)c1cccs1 ZINC000126693326 823928576 /nfs/dbraw/zinc/92/85/76/823928576.db2.gz NFQYQGRGECWMPO-QGZVFWFLSA-N 1 0 399.560 4.017 20 0 GIADRO CCc1nc2c(s1)[C@H]([NH2+]Cc1cc(Cl)cc(S(=O)(=O)CC)c1)CCC2 ZINC000414209594 823929126 /nfs/dbraw/zinc/92/91/26/823929126.db2.gz LAIZJDSSHGNUQA-OAHLLOKOSA-N 1 0 398.981 4.320 20 0 GIADRO CC[C@@H](C)[C@H]1CN(CCCc2ccncc2)CC[N@@H+]1CCCc1ccncc1 ZINC000462335088 823929235 /nfs/dbraw/zinc/92/92/35/823929235.db2.gz SOHUHOJWBMMKTO-ZJSXRUAMSA-N 1 0 380.580 4.074 20 0 GIADRO c1ccc(CC[C@@H](Cc2ccccc2)[NH2+]CCc2nnc3n2CCCCC3)cc1 ZINC000126694959 823929129 /nfs/dbraw/zinc/92/91/29/823929129.db2.gz CWPPTOQOVYRZLX-QHCPKHFHSA-N 1 0 388.559 4.381 20 0 GIADRO CCc1ccc([C@H]([NH2+]C[C@@H](C)CCOC)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000414208501 823929169 /nfs/dbraw/zinc/92/91/69/823929169.db2.gz RQBYADNHTHZMFI-JTSKRJEESA-N 1 0 389.561 4.004 20 0 GIADRO Cc1ccc([C@@H](C[NH2+]Cc2cscc2C(F)(F)F)N2CCOCC2)cc1 ZINC000575167354 823929801 /nfs/dbraw/zinc/92/98/01/823929801.db2.gz ALDNEEBXXKLZNZ-GOSISDBHSA-N 1 0 384.467 4.238 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)Nc2c(F)cc(F)cc2Br)cc1 ZINC000192279813 823930602 /nfs/dbraw/zinc/93/06/02/823930602.db2.gz UTRPQNDROVZAHJ-UHFFFAOYSA-N 1 0 398.251 4.111 20 0 GIADRO CC[C@H]([NH2+]Cc1cc(Cl)cc(S(=O)(=O)CC)c1)c1cccc(OC)c1 ZINC000414213724 823930697 /nfs/dbraw/zinc/93/06/97/823930697.db2.gz UGWXXQMXNOFFFX-IBGZPJMESA-N 1 0 381.925 4.383 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H]2CCCc3nc(C)sc32)c1 ZINC000414213499 823931162 /nfs/dbraw/zinc/93/11/62/823931162.db2.gz UBGLIBXWHCSQRT-OAHLLOKOSA-N 1 0 384.954 4.066 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H]2CCc3c2ccc(OC)c3F)c1 ZINC000414214217 823931180 /nfs/dbraw/zinc/93/11/80/823931180.db2.gz VFXQAWKGTASTSV-KRWDZBQOSA-N 1 0 397.899 4.058 20 0 GIADRO Cc1ccc(C(=O)C2CCN(C(=O)[C@@H](C)[C@@H]([NH3+])c3ccccc3)CC2)c(C)c1 ZINC000575177783 823932652 /nfs/dbraw/zinc/93/26/52/823932652.db2.gz XAOZZEYKCATOIN-PGRDOPGGSA-N 1 0 378.516 4.061 20 0 GIADRO Cc1noc(C)c1[C@@H](C)CNC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000126710394 823932970 /nfs/dbraw/zinc/93/29/70/823932970.db2.gz LSHVHBLSELITMA-IRXDYDNUSA-N 1 0 398.551 4.358 20 0 GIADRO CC[NH+](CC)Cc1cc([C@H](C)Nc2cccc3c2CN(C)C3=O)ccc1OC ZINC000414223753 823933285 /nfs/dbraw/zinc/93/32/85/823933285.db2.gz KSMFCJNEKJYBCW-INIZCTEOSA-N 1 0 381.520 4.296 20 0 GIADRO CCOC(=O)CC[N@H+](Cc1cccnc1)Cc1ccc(Br)cc1C ZINC000462345560 823933552 /nfs/dbraw/zinc/93/35/52/823933552.db2.gz HHQITPNLUOWUHE-UHFFFAOYSA-N 1 0 391.309 4.108 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCC1)N[C@H](c1ccccc1)[C@H]1CCCO1 ZINC000170676717 823934495 /nfs/dbraw/zinc/93/44/95/823934495.db2.gz KPFHONZKDVVCGF-DHIUTWEWSA-N 1 0 393.531 4.002 20 0 GIADRO COc1cc(NC(=O)N(C)c2cccc(SC)c2)ccc1OCC[NH+](C)C ZINC000575193747 823934799 /nfs/dbraw/zinc/93/47/99/823934799.db2.gz PECPKKZXYKMRKP-UHFFFAOYSA-N 1 0 389.521 4.026 20 0 GIADRO C[NH+]1CCC(Nc2ccccc2NC(=O)[C@@H]2COc3ccc(Cl)cc3C2)CC1 ZINC000170678462 823935452 /nfs/dbraw/zinc/93/54/52/823935452.db2.gz MSOLYTGRYBXREQ-INIZCTEOSA-N 1 0 399.922 4.036 20 0 GIADRO COc1cc([C@H](C)[NH2+]CCc2nnc3n2CCCCC3)ccc1SC(F)F ZINC000126721102 823935598 /nfs/dbraw/zinc/93/55/98/823935598.db2.gz BROKNERJOGXLQO-ZDUSSCGKSA-N 1 0 396.507 4.221 20 0 GIADRO O=C(Nc1cccc(Cl)c1OCC(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000575194767 823935874 /nfs/dbraw/zinc/93/58/74/823935874.db2.gz RCMVHXGDKWMGPM-HNNXBMFYSA-N 1 0 394.849 4.445 20 0 GIADRO COc1cccc2cc(C(=O)N(C)c3ccc(OCC[NH+]4CCCC4)cc3)oc21 ZINC000126722962 823936166 /nfs/dbraw/zinc/93/61/66/823936166.db2.gz LCESWTQSTPRIOS-UHFFFAOYSA-N 1 0 394.471 4.193 20 0 GIADRO Cc1cc(NC(=O)[C@@H](C)[NH2+][C@H](Cc2cccc(F)c2)c2cccc(F)c2)on1 ZINC000126725227 823936699 /nfs/dbraw/zinc/93/66/99/823936699.db2.gz CDORXSWHBZJAES-AUUYWEPGSA-N 1 0 385.414 4.162 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@H](C)c2ccccc2Br)cn1 ZINC000414238362 823936914 /nfs/dbraw/zinc/93/69/14/823936914.db2.gz CAWDRTWSBCMBRY-QWQRMKEZSA-N 1 0 378.314 4.094 20 0 GIADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](Oc3ccc(Cl)cc3)c3ccccc3)C2)C1 ZINC000575201521 823937333 /nfs/dbraw/zinc/93/73/33/823937333.db2.gz BAHLCPAVIWSJDB-IFMALSPDSA-N 1 0 384.907 4.014 20 0 GIADRO O=C([C@H]1C[C@H]1c1ccccc1Cl)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000575204102 823937842 /nfs/dbraw/zinc/93/78/42/823937842.db2.gz KCLXBQDQHUQKSR-VXKWHMMOSA-N 1 0 394.946 4.493 20 0 GIADRO O=C([C@@H]1C[C@@H]1c1ccccc1Cl)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000575204097 823938149 /nfs/dbraw/zinc/93/81/49/823938149.db2.gz KCLXBQDQHUQKSR-FGZHOGPDSA-N 1 0 394.946 4.493 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@@H](C)CCc2ccc(OC(F)F)cc2)cn1 ZINC000414243563 823938454 /nfs/dbraw/zinc/93/84/54/823938454.db2.gz JTVXHIAEUZIGRN-RIFZZMRRSA-N 1 0 393.478 4.193 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@@H]2CCCSc3ccc(OC)cc32)cn1 ZINC000414242977 823938523 /nfs/dbraw/zinc/93/85/23/823938523.db2.gz IZKIDILDMLAOPQ-NYSBEXSLSA-N 1 0 387.549 4.206 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@H](C[C@@H]2CCCO2)c2ccc(F)cc2)cn1 ZINC000414244170 823938847 /nfs/dbraw/zinc/93/88/47/823938847.db2.gz KTLOCPQIYQFCRE-GUGJDKNPSA-N 1 0 387.499 4.020 20 0 GIADRO CC(=O)N1CC[C@@H]([NH2+]CC2(c3c(F)cccc3F)CCC2)c2ccccc2C1 ZINC000414245457 823939178 /nfs/dbraw/zinc/93/91/78/823939178.db2.gz SYPIDHLEGVHYLS-OAQYLSRUSA-N 1 0 384.470 4.470 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)cn1 ZINC000414245865 823939366 /nfs/dbraw/zinc/93/93/66/823939366.db2.gz MUHFXEVWXDLBHS-AJSBUHFISA-N 1 0 379.479 4.499 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)N1CCC(c2ccncc2)CC1)c1ccsc1 ZINC000192304207 823941071 /nfs/dbraw/zinc/94/10/71/823941071.db2.gz DCEALEDBKXZPIH-FQEVSTJZSA-N 1 0 386.565 4.115 20 0 GIADRO COc1ccc([C@H](Cc2ccccc2)NC(=O)N(C)CCC[NH+]2CCCC2)cc1 ZINC000462363615 823941616 /nfs/dbraw/zinc/94/16/16/823941616.db2.gz UAPGAYMISGGYMD-QHCPKHFHSA-N 1 0 395.547 4.106 20 0 GIADRO Cc1ccc(SCC[NH2+]Cc2cnc3ccc(Br)cn23)cc1 ZINC000462364176 823942204 /nfs/dbraw/zinc/94/22/04/823942204.db2.gz GRUYUCJCSHFWFS-UHFFFAOYSA-N 1 0 376.323 4.287 20 0 GIADRO CCOCc1cc(CN2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)ccc1OC ZINC000575217775 823942632 /nfs/dbraw/zinc/94/26/32/823942632.db2.gz AVAATORDKJFQGL-VWLOTQADSA-N 1 0 394.559 4.330 20 0 GIADRO COc1ccc(C[N@H+](C[C@H](C)c2ccccc2)[C@@H](C)CO)c(Cl)c1OC ZINC000575218716 823942985 /nfs/dbraw/zinc/94/29/85/823942985.db2.gz KHJXVNIDPZQFMV-HOTGVXAUSA-N 1 0 377.912 4.344 20 0 GIADRO C[C@H](C[NH2+]Cc1ccccc1OCC(F)(F)F)N1CCc2ccccc2C1 ZINC000462366742 823943812 /nfs/dbraw/zinc/94/38/12/823943812.db2.gz XAUNLFJTISZXGJ-MRXNPFEDSA-N 1 0 378.438 4.164 20 0 GIADRO Cc1oc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)nc1C1CC1 ZINC000575221582 823944405 /nfs/dbraw/zinc/94/44/05/823944405.db2.gz FVOKGUDMUFVFBW-PMACEKPBSA-N 1 0 394.519 4.379 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Nc1ccc(Cl)cc1F ZINC000170698194 823944487 /nfs/dbraw/zinc/94/44/87/823944487.db2.gz YVBFNNFJSFNSLS-UHFFFAOYSA-N 1 0 376.863 4.183 20 0 GIADRO C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]Cc1nccc(C(F)(F)F)n1 ZINC000414263713 823945325 /nfs/dbraw/zinc/94/53/25/823945325.db2.gz SQRATIPAPOTMMN-LLVKDONJSA-N 1 0 375.341 4.208 20 0 GIADRO Cn1cc([C@@H]2OCC[C@H]2C[NH2+][C@H](Cc2cccnc2)c2ccc(Cl)cc2)cn1 ZINC000414267686 823946583 /nfs/dbraw/zinc/94/65/83/823946583.db2.gz JEIMZGQSGLVRKH-VLCRHTCISA-N 1 0 396.922 4.120 20 0 GIADRO [NH3+][C@H]1CCc2ncc(NC(=O)N3Cc4ccccc4-c4ccccc4C3)cc2C1 ZINC000575234367 823947934 /nfs/dbraw/zinc/94/79/34/823947934.db2.gz VBEFQUZZTOGCGQ-IBGZPJMESA-N 1 0 384.483 4.112 20 0 GIADRO C[C@@H]([NH2+]CCC(C)(C)S(C)(=O)=O)c1ccccc1OCc1ccccc1 ZINC000414272421 823948777 /nfs/dbraw/zinc/94/87/77/823948777.db2.gz XBMUYSNWLBSGJM-QGZVFWFLSA-N 1 0 375.534 4.130 20 0 GIADRO C[C@@H]([NH2+]CCC(C)(C)S(C)(=O)=O)c1ccc(SCC(F)(F)F)cc1 ZINC000414274538 823949279 /nfs/dbraw/zinc/94/92/79/823949279.db2.gz ZHQUBPSXGJWWDL-GFCCVEGCSA-N 1 0 383.501 4.205 20 0 GIADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2ccn(-c3ccccc3Cl)n2)C1 ZINC000065128655 823949341 /nfs/dbraw/zinc/94/93/41/823949341.db2.gz AWGOOCIJLPEABW-BBWFWOEESA-N 1 0 386.927 4.003 20 0 GIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccc(Cl)c3cccnc23)C1 ZINC000065140447 823950044 /nfs/dbraw/zinc/95/00/44/823950044.db2.gz XRSIDTQCGDSDMM-DOTOQJQBSA-N 1 0 379.891 4.454 20 0 GIADRO O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000170719294 823952919 /nfs/dbraw/zinc/95/29/19/823952919.db2.gz SQOZOJYMEUFKNP-GOSISDBHSA-N 1 0 376.460 4.197 20 0 GIADRO O=C(c1cc2cccc(Cl)c2s1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000575318536 823953567 /nfs/dbraw/zinc/95/35/67/823953567.db2.gz VJRAEMXITAAAAH-UHFFFAOYSA-N 1 0 392.952 4.272 20 0 GIADRO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1ccoc1Cl ZINC000192343702 823954262 /nfs/dbraw/zinc/95/42/62/823954262.db2.gz JBLNSENQYMEGNE-INIZCTEOSA-N 1 0 384.867 4.137 20 0 GIADRO CCC(CC)[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)c1ccccc1 ZINC000414309892 823955262 /nfs/dbraw/zinc/95/52/62/823955262.db2.gz HHDDWESPBZIMCW-LJQANCHMSA-N 1 0 380.941 4.255 20 0 GIADRO CCc1ncc(C(=O)N2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000575324596 823955527 /nfs/dbraw/zinc/95/55/27/823955527.db2.gz VWWQKZIPSSUIGV-NRFANRHFSA-N 1 0 397.588 4.468 20 0 GIADRO CC(C)c1nc2n(n1)CCC[C@H]2[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000575324968 823955851 /nfs/dbraw/zinc/95/58/51/823955851.db2.gz DWVGDRQOARJTRB-WMLDXEAASA-N 1 0 389.341 4.146 20 0 GIADRO O=C1CC[C@H](c2cccc(N[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]4CCC[C@H]43)c2)N1 ZINC000414317240 823957205 /nfs/dbraw/zinc/95/72/05/823957205.db2.gz OZABJVKTDNLDJY-OLKYXYMISA-N 1 0 389.543 4.493 20 0 GIADRO c1nc(C2CCCC2)sc1CNC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000192356770 823958135 /nfs/dbraw/zinc/95/81/35/823958135.db2.gz YWGKICNFMZZOGU-FQEVSTJZSA-N 1 0 385.577 4.181 20 0 GIADRO C[C@@H]([NH2+]CC1(CS(C)(=O)=O)CCC1)c1ccc(SCC(F)(F)F)cc1 ZINC000414328203 823958953 /nfs/dbraw/zinc/95/89/53/823958953.db2.gz NONXSOLGLSVFBQ-CYBMUJFWSA-N 1 0 395.512 4.207 20 0 GIADRO CCOC(=O)c1cnn(C2CCN(c3cc[nH+]c4ccc(C)cc43)CC2)c1C ZINC000575346200 823959455 /nfs/dbraw/zinc/95/94/55/823959455.db2.gz VBNQWVFDTBIFNC-UHFFFAOYSA-N 1 0 378.476 4.066 20 0 GIADRO CS(=O)(=O)CC1(C[NH2+][C@H]2CCCc3c(Cl)sc(Cl)c32)CCC1 ZINC000414330353 823959828 /nfs/dbraw/zinc/95/98/28/823959828.db2.gz PMQHHOGXNHTYPF-NSHDSACASA-N 1 0 382.378 4.237 20 0 GIADRO CC(C)(C[NH2+]Cc1ccc(S(C)(=O)=O)s1)c1cccc(C(F)(F)F)c1 ZINC000414331784 823959909 /nfs/dbraw/zinc/95/99/09/823959909.db2.gz DCUAMZGCOUKXQF-UHFFFAOYSA-N 1 0 391.480 4.238 20 0 GIADRO CC[C@H](C)[C@H]([NH2+]Cc1ccc(COC)o1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000126824349 823960081 /nfs/dbraw/zinc/96/00/81/823960081.db2.gz LAFGZIQYCBQNEX-JTSKRJEESA-N 1 0 399.535 4.169 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N[C@@H]1CCSc2c(F)cccc21 ZINC000126825313 823960257 /nfs/dbraw/zinc/96/02/57/823960257.db2.gz VORXWEIURYMAFA-SJORKVTESA-N 1 0 389.496 4.092 20 0 GIADRO COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H](C)Cc1cn(C)c2ccc(F)cc12 ZINC000414336002 823960734 /nfs/dbraw/zinc/96/07/34/823960734.db2.gz CLJODFCHLFCMTC-HOTGVXAUSA-N 1 0 397.494 4.264 20 0 GIADRO COc1ccc([C@H](Cc2ccncc2)[NH2+][C@@H]2CCN(c3ccc(F)cc3)C2)cc1 ZINC000414341642 823961180 /nfs/dbraw/zinc/96/11/80/823961180.db2.gz IDIABOCNGDWVLQ-QPPBQGQZSA-N 1 0 391.490 4.382 20 0 GIADRO CC[C@H](CSc1ccc(Cl)cc1)[NH2+][C@@H]1CCC[C@H]2CN(C(C)=O)C[C@H]21 ZINC000575356683 823961549 /nfs/dbraw/zinc/96/15/49/823961549.db2.gz PFJQLHDWVZSDGX-JQERWDHBSA-N 1 0 380.985 4.447 20 0 GIADRO C[C@@H](Cc1cn(C)c2ccc(F)cc12)[NH2+][C@@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000414343406 823961677 /nfs/dbraw/zinc/96/16/77/823961677.db2.gz AYMBXHSCGXYBQU-HOTGVXAUSA-N 1 0 381.495 4.301 20 0 GIADRO CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3ccc(F)cc3)C2)cc1 ZINC000414351407 823962735 /nfs/dbraw/zinc/96/27/35/823962735.db2.gz RPERAAMHYCUPIZ-OXQOHEQNSA-N 1 0 384.499 4.285 20 0 GIADRO CC(=O)NCCc1ccc([C@@H](C)[NH2+][C@H](C)Cc2cn(C)c3ccc(F)cc23)cc1 ZINC000414355152 823963142 /nfs/dbraw/zinc/96/31/42/823963142.db2.gz YJFDGIQQQJXBQX-IAGOWNOFSA-N 1 0 395.522 4.278 20 0 GIADRO C[C@@H](Cc1ccoc1)[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000414354286 823963354 /nfs/dbraw/zinc/96/33/54/823963354.db2.gz URCDBXQLKGKSGA-HNNXBMFYSA-N 1 0 377.326 4.227 20 0 GIADRO CC(C)NC(=O)[C@@H](C)[NH2+][C@@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21 ZINC000414353910 823963396 /nfs/dbraw/zinc/96/33/96/823963396.db2.gz ZPXIFZANXBKRLU-IUODEOHRSA-N 1 0 377.941 4.344 20 0 GIADRO C[N@H+](Cc1ccc(Br)cc1C(F)(F)F)C1CCC(CO)CC1 ZINC000575368819 823963519 /nfs/dbraw/zinc/96/35/19/823963519.db2.gz UOMOJZTWWPHYOU-UHFFFAOYSA-N 1 0 380.248 4.451 20 0 GIADRO CN(C)c1ncc(C[NH2+]Cc2ccccc2COc2ccccc2Cl)n1C ZINC000414361336 823965432 /nfs/dbraw/zinc/96/54/32/823965432.db2.gz SLIAVMNJJUTPFD-UHFFFAOYSA-N 1 0 384.911 4.008 20 0 GIADRO Cc1cccc([C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)C(C)(C)C)c1 ZINC000414364597 823966282 /nfs/dbraw/zinc/96/62/82/823966282.db2.gz MUGJKUGCGXULFL-GOSISDBHSA-N 1 0 380.941 4.173 20 0 GIADRO O=C(N[C@H]1CC[NH2+]C1)c1oc2ccccc2c1CSc1ccccc1Cl ZINC000126855394 823967280 /nfs/dbraw/zinc/96/72/80/823967280.db2.gz HEAWMKOTDDICEG-ZDUSSCGKSA-N 1 0 386.904 4.470 20 0 GIADRO CCN(CC)c1ccc(C[NH2+][C@H](COC)c2cccc(C(F)(F)F)c2)cn1 ZINC000126854699 823967297 /nfs/dbraw/zinc/96/72/97/823967297.db2.gz GZZCDTBBDWQNNQ-GOSISDBHSA-N 1 0 381.442 4.424 20 0 GIADRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)CCC(=O)c2ccc(F)cc2)CC1 ZINC000170774910 823967729 /nfs/dbraw/zinc/96/77/29/823967729.db2.gz DQNDAHZFBTZJQC-UHFFFAOYSA-N 1 0 396.506 4.159 20 0 GIADRO Cc1cc(C(=O)NC2CC[NH+](CCOc3cccc4ccccc43)CC2)c(C)o1 ZINC000170775238 823967781 /nfs/dbraw/zinc/96/77/81/823967781.db2.gz MTEQJRLQLPZSJD-UHFFFAOYSA-N 1 0 392.499 4.323 20 0 GIADRO CC(C)c1cnc(NC(=O)N2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)s1 ZINC000192390263 823968517 /nfs/dbraw/zinc/96/85/17/823968517.db2.gz HOOWISHZLVPVKL-IYBDPMFKSA-N 1 0 394.585 4.010 20 0 GIADRO C[N@@H+]1CCC[C@H]1CCSc1nnc(-c2ccc(F)cc2)n1Cc1ccco1 ZINC000126859537 823968644 /nfs/dbraw/zinc/96/86/44/823968644.db2.gz IATATGCBIHTXCV-KRWDZBQOSA-N 1 0 386.496 4.302 20 0 GIADRO CC1(C)C(=O)N[C@H]1C1CC[NH+](Cc2cnc(-c3ccc(Cl)cc3)s2)CC1 ZINC000575430246 823969551 /nfs/dbraw/zinc/96/95/51/823969551.db2.gz UZMPMCSIXDOMIZ-KRWDZBQOSA-N 1 0 389.952 4.200 20 0 GIADRO Fc1ccccc1-c1ncc(C[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)s1 ZINC000575477116 823973699 /nfs/dbraw/zinc/97/36/99/823973699.db2.gz XVNCKPMSIXVHOA-CQSZACIVSA-N 1 0 383.496 4.324 20 0 GIADRO C[C@@H](C(=O)N(C)CCC[N@H+](C)Cc1ccco1)c1cccc(Br)c1 ZINC000462440956 823976630 /nfs/dbraw/zinc/97/66/30/823976630.db2.gz NNQLCWVNFCHHLA-OAHLLOKOSA-N 1 0 393.325 4.126 20 0 GIADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc(-c2ccccc2C(F)(F)F)on1 ZINC000462441501 823976660 /nfs/dbraw/zinc/97/66/60/823976660.db2.gz PJWBRSXLSKJDDB-KBPBESRZSA-N 1 0 393.409 4.059 20 0 GIADRO O=C(CCCc1ccccc1Cl)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000575628539 823979755 /nfs/dbraw/zinc/97/97/55/823979755.db2.gz LEGJMSJPSQTCMF-FQEVSTJZSA-N 1 0 384.951 4.344 20 0 GIADRO CCOc1ccc([C@H](C)NC(=O)CCC[NH2+]CC2Cc3ccccc3C2)cc1 ZINC000575632130 823980213 /nfs/dbraw/zinc/98/02/13/823980213.db2.gz NHERFTXQDVAWEW-SFHVURJKSA-N 1 0 380.532 4.047 20 0 GIADRO Cc1cc(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc(C)c1Br ZINC000192418799 823981433 /nfs/dbraw/zinc/98/14/33/823981433.db2.gz UJXYFRVEJYCMPY-OAHLLOKOSA-N 1 0 380.330 4.016 20 0 GIADRO Cc1nn(-c2cccc(F)c2)cc1C[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000414427297 823982483 /nfs/dbraw/zinc/98/24/83/823982483.db2.gz DZNSRYXYPPUHHL-UHFFFAOYSA-N 1 0 397.469 4.029 20 0 GIADRO CCc1ncc(CNc2ccc(C[N@H+](C[C@H]3CCCCO3)C(C)C)cc2)cn1 ZINC000414428170 823982679 /nfs/dbraw/zinc/98/26/79/823982679.db2.gz GJZAPAIPAGQFBI-JOCHJYFZSA-N 1 0 382.552 4.431 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1CNc1ccc2c(c1)[nH+]c(C)n2[C@@H](C)CO ZINC000575734553 823983088 /nfs/dbraw/zinc/98/30/88/823983088.db2.gz SMWKBRGJZQOVIV-LBPRGKRZSA-N 1 0 395.532 4.405 20 0 GIADRO CC(C)N(C(=O)[C@@H](C)[NH+]1CCC(c2noc3cc(F)ccc32)CC1)C(C)C ZINC000575737766 823983653 /nfs/dbraw/zinc/98/36/53/823983653.db2.gz KUHZGUJROZMFMB-OAHLLOKOSA-N 1 0 375.488 4.180 20 0 GIADRO COc1ccc(CN(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C2CC2)cc1 ZINC000126931773 823983951 /nfs/dbraw/zinc/98/39/51/823983951.db2.gz LPJJJPSREUZSKK-FQEVSTJZSA-N 1 0 399.560 4.268 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)Nc2cc(C(F)(F)F)ccn2)CC1 ZINC000192421863 823984466 /nfs/dbraw/zinc/98/44/66/823984466.db2.gz OMVGNIXDVUWVJW-UHFFFAOYSA-N 1 0 386.462 4.466 20 0 GIADRO CC(C)(Cc1ccc(C(F)(F)F)cc1)[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000414433993 823985043 /nfs/dbraw/zinc/98/50/43/823985043.db2.gz LQFVKKNEZJCODN-UHFFFAOYSA-N 1 0 391.480 4.281 20 0 GIADRO O=C(c1ccc2c(c1)C[NH2+]C2)N1CCC(c2ccc(Br)cc2)CC1 ZINC000575745075 823985245 /nfs/dbraw/zinc/98/52/45/823985245.db2.gz GLKIIZXUDISYCT-UHFFFAOYSA-N 1 0 385.305 4.072 20 0 GIADRO Cc1cnn([C@H]2CC[N@H+](CCC(=O)Nc3ccccc3Oc3ccccc3)C2)c1 ZINC000575753008 823986307 /nfs/dbraw/zinc/98/63/07/823986307.db2.gz LRPLZZCJYBICQI-IBGZPJMESA-N 1 0 390.487 4.259 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000126945420 823986759 /nfs/dbraw/zinc/98/67/59/823986759.db2.gz PGTJBYVBHSJTNZ-SJORKVTESA-N 1 0 383.458 4.125 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000126945887 823987124 /nfs/dbraw/zinc/98/71/24/823987124.db2.gz PGTJBYVBHSJTNZ-IAGOWNOFSA-N 1 0 383.458 4.125 20 0 GIADRO Cc1cc(C[N@@H+]2CCC[C@@H](CNC(=O)c3ccco3)C2)ccc1C(F)(F)F ZINC000414457850 823988569 /nfs/dbraw/zinc/98/85/69/823988569.db2.gz VPDGWYZPHLVQKI-INIZCTEOSA-N 1 0 380.410 4.249 20 0 GIADRO Cc1ccc(C[NH2+]C[C@@H](c2ccc(Cl)cc2)N(C)CCC(F)(F)F)nn1 ZINC000414461788 823989670 /nfs/dbraw/zinc/98/96/70/823989670.db2.gz ZAADEBILNLLRMX-KRWDZBQOSA-N 1 0 386.849 4.154 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)[C@@H]1C[C@@H]1c1ccccc1Cl ZINC000126969222 823992031 /nfs/dbraw/zinc/99/20/31/823992031.db2.gz POFRFVJWYVGVJD-NHCUHLMSSA-N 1 0 398.934 4.287 20 0 GIADRO O=C(Nc1cccc(C[N@@H+]2CCCO[C@@H](CF)C2)c1)c1ccccc1Cl ZINC000414480111 823992152 /nfs/dbraw/zinc/99/21/52/823992152.db2.gz SYIQWTSIITVOAD-KRWDZBQOSA-N 1 0 376.859 4.153 20 0 GIADRO CCOC(=O)c1ccn(-c2cccc(C[NH2+]Cc3ccc([C@@H]4C[C@H]4C)o3)c2)n1 ZINC000575787941 823995821 /nfs/dbraw/zinc/99/58/21/823995821.db2.gz IVTGBPKOWRJIQT-DNVCBOLYSA-N 1 0 379.460 4.055 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1c(F)cc(C(F)(F)F)cc1F ZINC000575790278 823997137 /nfs/dbraw/zinc/99/71/37/823997137.db2.gz WRRNJNSUZGHGBQ-UHFFFAOYSA-N 1 0 398.375 4.378 20 0 GIADRO CC(C)c1cc(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)nn1C(C)(C)C ZINC000192460986 823999138 /nfs/dbraw/zinc/99/91/38/823999138.db2.gz OCIXOQRMXRSTNQ-UHFFFAOYSA-N 1 0 396.579 4.198 20 0 GIADRO COc1ccccc1C(C)(C)NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000170886330 824000593 /nfs/dbraw/zinc/00/05/93/824000593.db2.gz JZQKGWMOSGKPID-UHFFFAOYSA-N 1 0 381.520 4.026 20 0 GIADRO C[N@H+](CCCNC(=O)N[C@@H](c1ccccc1)c1cccnc1)C1CCCCC1 ZINC000170892477 824001759 /nfs/dbraw/zinc/00/17/59/824001759.db2.gz NAHYJKOXUPJLMR-QFIPXVFZSA-N 1 0 380.536 4.125 20 0 GIADRO COc1ccc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCCCC2)c(OC)c1OC ZINC000414526993 824002128 /nfs/dbraw/zinc/00/21/28/824002128.db2.gz MATPKLADOAINBT-QHCPKHFHSA-N 1 0 399.531 4.486 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@@H](c1ccccc1)c1cccnc1 ZINC000170893501 824002312 /nfs/dbraw/zinc/00/23/12/824002312.db2.gz CQMOXERNJVIREF-UGKGYDQZSA-N 1 0 380.536 4.125 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000192472167 824004142 /nfs/dbraw/zinc/00/41/42/824004142.db2.gz KCUJNYJCSPKVEB-OPAMFIHVSA-N 1 0 379.529 4.478 20 0 GIADRO CC(=O)Nc1ccc(CNC(=[NH2+])N[C@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000170909926 824004249 /nfs/dbraw/zinc/00/42/49/824004249.db2.gz NWWFIVBMUCHHNI-LLVKDONJSA-N 1 0 379.291 4.117 20 0 GIADRO CC(C)[C@H]1[N@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)CC12CCOCC2 ZINC000414538710 824005141 /nfs/dbraw/zinc/00/51/41/824005141.db2.gz MKQBXKGCVJHKRY-QGZVFWFLSA-N 1 0 375.406 4.404 20 0 GIADRO COCCCOc1cccc(C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)c1 ZINC000414542180 824006249 /nfs/dbraw/zinc/00/62/49/824006249.db2.gz DDYAOTHPQXNBKF-HSZRJFAPSA-N 1 0 381.516 4.456 20 0 GIADRO OCC1([C@@H]([NH2+]Cc2ccc(OC(F)F)c(F)c2)c2ccccc2)CCOCC1 ZINC000414542846 824006418 /nfs/dbraw/zinc/00/64/18/824006418.db2.gz SKEMKQQDUIEJFU-IBGZPJMESA-N 1 0 395.421 4.047 20 0 GIADRO COc1cccc2c(C[NH2+][C@H](c3ccccc3)C3(CO)CCOCC3)cccc12 ZINC000414543435 824007094 /nfs/dbraw/zinc/00/70/94/824007094.db2.gz TXJQNVIXAFYVFA-XMMPIXPASA-N 1 0 391.511 4.468 20 0 GIADRO Cc1ncc([C@H](C)[NH2+]C[C@@H](c2c(F)cccc2Cl)N2CCO[C@H](C)C2)s1 ZINC000127048613 824007221 /nfs/dbraw/zinc/00/72/21/824007221.db2.gz QCDVFBWRHHOLAL-IGCXYCKISA-N 1 0 397.947 4.357 20 0 GIADRO Cc1ccc2cc(C[NH2+][C@H](c3ccccc3)C3(CO)CCOCC3)ccc2n1 ZINC000414546817 824007762 /nfs/dbraw/zinc/00/77/62/824007762.db2.gz YLVIYGWBFJTRCZ-HSZRJFAPSA-N 1 0 376.500 4.163 20 0 GIADRO CC(C)OCC(C)(C)[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000414547478 824007946 /nfs/dbraw/zinc/00/79/46/824007946.db2.gz IQIXTZLQCJYKMK-UHFFFAOYSA-N 1 0 394.151 4.087 20 0 GIADRO OC[C@@H]([NH2+]Cc1ccc(-c2ccccc2Br)s1)[C@H]1CCCOC1 ZINC000414546904 824007989 /nfs/dbraw/zinc/00/79/89/824007989.db2.gz GMGOAXKPWBICQJ-SUMWQHHRSA-N 1 0 396.350 4.055 20 0 GIADRO COc1ccc(NC(=O)[C@@](C)([NH3+])c2ccccc2)cc1NC(=O)C1CCCCC1 ZINC000192485134 824008461 /nfs/dbraw/zinc/00/84/61/824008461.db2.gz XKXRSHFGSWZHJB-QHCPKHFHSA-N 1 0 395.503 4.027 20 0 GIADRO CC(C)(C[NH2+]Cc1c(Br)cncc1Br)c1cccnc1 ZINC000414551443 824009653 /nfs/dbraw/zinc/00/96/53/824009653.db2.gz BDHZRHXIEFPQSP-UHFFFAOYSA-N 1 0 399.130 4.069 20 0 GIADRO O=C(Nc1cc(-c2ccccc2)on1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000127067247 824010672 /nfs/dbraw/zinc/01/06/72/824010672.db2.gz SQEJWCXYJYOVJV-UHFFFAOYSA-N 1 0 376.460 4.081 20 0 GIADRO OC[C@@H]1C[N@H+](Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)CC[C@@H]1O ZINC000414560295 824012456 /nfs/dbraw/zinc/01/24/56/824012456.db2.gz QMOWHUUIESEJBF-OFVILXPXSA-N 1 0 388.511 4.332 20 0 GIADRO O=C(Nc1ccc(OC2CCCC2)c(F)c1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000575851005 824012406 /nfs/dbraw/zinc/01/24/06/824012406.db2.gz MSXYQOGNANCLPG-HZPDHXFCSA-N 1 0 375.488 4.001 20 0 GIADRO COc1ccc2oc([C@@H](C)NC(=O)N3CCC([C@H]4[NH2+]CC4(C)C)CC3)c(C)c2c1 ZINC000575852960 824012437 /nfs/dbraw/zinc/01/24/37/824012437.db2.gz QMPOMMKGEYTSCO-QVKFZJNVSA-N 1 0 399.535 4.230 20 0 GIADRO COc1ccc(C[N@@H+]2CCC[C@H](CCC(=O)OC(C)(C)C)C2)c(OC)c1OC ZINC000414560860 824012984 /nfs/dbraw/zinc/01/29/84/824012984.db2.gz RNWGBSOMJZXOLR-MRXNPFEDSA-N 1 0 393.524 4.046 20 0 GIADRO CC(C)(C[NH2+]Cc1cc(Br)c2c(c1)OCCCO2)c1cccnc1 ZINC000414561115 824013117 /nfs/dbraw/zinc/01/31/17/824013117.db2.gz RTKPQNPAPINWKX-UHFFFAOYSA-N 1 0 391.309 4.073 20 0 GIADRO COc1cccc([C@@H]2C[C@H]2C[NH2+]Cc2ccc(OC)c(O)c2Br)c1 ZINC000414560603 824013231 /nfs/dbraw/zinc/01/32/31/824013231.db2.gz XACRHPHZFBHHPW-HOCLYGCPSA-N 1 0 392.293 4.065 20 0 GIADRO COc1ccc(C(=O)Nc2cccc(C[NH2+]CC(C)(C)c3cccnc3)c2)cc1 ZINC000414562362 824013538 /nfs/dbraw/zinc/01/35/38/824013538.db2.gz UPYNBQHGUVUIRQ-UHFFFAOYSA-N 1 0 389.499 4.410 20 0 GIADRO CC(C)(C[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1)c1cccnc1 ZINC000414562373 824013620 /nfs/dbraw/zinc/01/36/20/824013620.db2.gz UQQGVGIDKJEKQM-UHFFFAOYSA-N 1 0 385.309 4.302 20 0 GIADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)CCC(=O)c2cc(Cl)sc2Cl)C1 ZINC000127082014 824013741 /nfs/dbraw/zinc/01/37/41/824013741.db2.gz ZJGJIIUGLDHWDT-WDEREUQCSA-N 1 0 377.337 4.007 20 0 GIADRO O=C(C[NH2+][C@H](c1ccccc1)C1CC1)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000192504982 824014016 /nfs/dbraw/zinc/01/40/16/824014016.db2.gz LVHMTHYVTWWODD-AUSIDOKSSA-N 1 0 389.455 4.291 20 0 GIADRO C[C@@](Cc1ccccc1)([NH2+]Cc1cnc(N2CCOCC2)s1)c1ccccc1 ZINC000414564887 824013976 /nfs/dbraw/zinc/01/39/76/824013976.db2.gz BHAZEICBEOWGNQ-QHCPKHFHSA-N 1 0 393.556 4.227 20 0 GIADRO CC[C@@H](Sc1ccccc1)C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000127084885 824014195 /nfs/dbraw/zinc/01/41/95/824014195.db2.gz ODTIYZDNFXOMIB-JOCHJYFZSA-N 1 0 398.572 4.400 20 0 GIADRO Fc1ccc(N2CC[C@H]([NH2+]Cc3ccccc3OCc3cccnc3)C2)cc1 ZINC000414579376 824015320 /nfs/dbraw/zinc/01/53/20/824015320.db2.gz IRXRBRLDSHYZTH-NRFANRHFSA-N 1 0 377.463 4.168 20 0 GIADRO OC[C@@H]1CCC[C@H]([NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)C1 ZINC000414583215 824015834 /nfs/dbraw/zinc/01/58/34/824015834.db2.gz SAWPFTWYYCARAL-OFNKIYASSA-N 1 0 375.516 4.239 20 0 GIADRO Cc1nc(NC(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)sc1C(F)(F)F ZINC000575884553 824019836 /nfs/dbraw/zinc/01/98/36/824019836.db2.gz JIZQWESSEZASGH-TZMCWYRMSA-N 1 0 398.454 4.427 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)N1CCCCC[C@H]1c1ccncc1)c1ccc(F)cc1 ZINC000127113000 824019933 /nfs/dbraw/zinc/01/99/33/824019933.db2.gz JVZUVFOHDQIFEI-SFTDATJTSA-N 1 0 384.499 4.150 20 0 GIADRO COc1cc(C)ccc1C[NH2+]Cc1cc(Br)c(OC)c(OC)c1 ZINC000575892247 824021660 /nfs/dbraw/zinc/02/16/60/824021660.db2.gz IANZBUKETRMRLW-UHFFFAOYSA-N 1 0 380.282 4.073 20 0 GIADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C[C@@H]21 ZINC000414678618 824023018 /nfs/dbraw/zinc/02/30/18/824023018.db2.gz KWZMONPBHHTXDY-BIGNPOOSSA-N 1 0 395.347 4.315 20 0 GIADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C[C@@H]21 ZINC000414678623 824023078 /nfs/dbraw/zinc/02/30/78/824023078.db2.gz KWZMONPBHHTXDY-QCZZGDTMSA-N 1 0 395.347 4.315 20 0 GIADRO COc1ccc(C[NH2+]Cc2ccc3c(c2)sc(=O)n3C)cc1OC1CCCC1 ZINC000192536012 824023335 /nfs/dbraw/zinc/02/33/35/824023335.db2.gz HMAUYECTBIFKBP-UHFFFAOYSA-N 1 0 398.528 4.220 20 0 GIADRO C[C@@H]([NH3+])C1CCN(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000414684882 824023622 /nfs/dbraw/zinc/02/36/22/824023622.db2.gz XDWYHCZJCAVEFE-SECBINFHSA-N 1 0 383.336 4.315 20 0 GIADRO CCCOc1ccc(C(F)(F)F)cc1NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000414716431 824026213 /nfs/dbraw/zinc/02/62/13/824026213.db2.gz XYIQVWCNNABYMK-GOSISDBHSA-N 1 0 385.430 4.102 20 0 GIADRO C[NH2+]CC1CCN(C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)CC1 ZINC000414723124 824027052 /nfs/dbraw/zinc/02/70/52/824027052.db2.gz BGHHFQJJXWAWKU-UHFFFAOYSA-N 1 0 394.544 4.350 20 0 GIADRO COc1cccc(SCC(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c1 ZINC000575913940 824028725 /nfs/dbraw/zinc/02/87/25/824028725.db2.gz SQUJHGYFBYCMIZ-HXUWFJFHSA-N 1 0 398.572 4.206 20 0 GIADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)C1 ZINC000414726790 824028827 /nfs/dbraw/zinc/02/88/27/824028827.db2.gz ACSCSHZDHNIJLJ-ZYHUDNBSSA-N 1 0 399.347 4.242 20 0 GIADRO O=C(Nc1ccc(Cl)cc1OCC(F)(F)F)C1CC[NH+](C2CC2)CC1 ZINC000192551232 824029654 /nfs/dbraw/zinc/02/96/54/824029654.db2.gz HHYRJJBGQBRFCC-UHFFFAOYSA-N 1 0 376.806 4.094 20 0 GIADRO COc1ccc(-c2nc(C)c([C@H](C)NC(=O)C3CC[NH+](C4CC4)CC3)s2)cc1 ZINC000192551174 824029679 /nfs/dbraw/zinc/02/96/79/824029679.db2.gz JLVYQGAJTDCOMZ-AWEZNQCLSA-N 1 0 399.560 4.179 20 0 GIADRO Cc1cc(C2CC[NH+](Cc3nc4ccc(Br)cc4o3)CC2)[nH]n1 ZINC000575919249 824029739 /nfs/dbraw/zinc/02/97/39/824029739.db2.gz CRMRNYUDWYMYTL-UHFFFAOYSA-N 1 0 375.270 4.001 20 0 GIADRO CC(C)C[C@H]([NH3+])CN1CCC[C@@H]1c1nc(-c2ccccc2Br)no1 ZINC000414734387 824030382 /nfs/dbraw/zinc/03/03/82/824030382.db2.gz DRIMIWCIKZCYTM-XJKSGUPXSA-N 1 0 393.329 4.009 20 0 GIADRO [NH3+]CC[C@@H]1CCCN(C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)C1 ZINC000414735886 824030735 /nfs/dbraw/zinc/03/07/35/824030735.db2.gz XPFGHOQQOHWCCH-KRWDZBQOSA-N 1 0 394.544 4.480 20 0 GIADRO COc1cccc(C[NH2+]Cc2ccc3c(c2)sc(=O)n3C)c1OC1CCCC1 ZINC000192557629 824030958 /nfs/dbraw/zinc/03/09/58/824030958.db2.gz JFAYJCLRQPKLMO-UHFFFAOYSA-N 1 0 398.528 4.220 20 0 GIADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000414737890 824031044 /nfs/dbraw/zinc/03/10/44/824031044.db2.gz OOKMXUJVUQJWQV-BLLLJJGKSA-N 1 0 378.929 4.121 20 0 GIADRO CO[C@H](C[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1)c1ccccc1 ZINC000575931681 824031556 /nfs/dbraw/zinc/03/15/56/824031556.db2.gz VSTARVXWYJGFDI-LAUBAEHRSA-N 1 0 385.483 4.047 20 0 GIADRO CN(C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1)[C@H](C[NH3+])C1CC1 ZINC000414743859 824031906 /nfs/dbraw/zinc/03/19/06/824031906.db2.gz VGUWKZLSNRNHTL-CQSZACIVSA-N 1 0 399.347 4.242 20 0 GIADRO CCO[C@@H]1C[C@@H]([NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)[C@H]1n1cccn1 ZINC000575940772 824032922 /nfs/dbraw/zinc/03/29/22/824032922.db2.gz PJTIUNXHGATILZ-KCZVDYSFSA-N 1 0 383.442 4.259 20 0 GIADRO COCc1ccc(NC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000192567223 824033562 /nfs/dbraw/zinc/03/35/62/824033562.db2.gz NJVUKPUZBAHEMR-GCJKJVERSA-N 1 0 381.520 4.350 20 0 GIADRO CCCN(C(=O)C(=O)Nc1cccc(C[NH2+]CC)c1)[C@@H](CC)c1ccccc1 ZINC000414772713 824034514 /nfs/dbraw/zinc/03/45/14/824034514.db2.gz RLSDPPPKABIBRK-NRFANRHFSA-N 1 0 381.520 4.125 20 0 GIADRO O=C(CCC(F)(F)F)N1CCC[C@@H]([NH2+]Cc2ccc(C(F)(F)F)s2)C1 ZINC000575950410 824035296 /nfs/dbraw/zinc/03/52/96/824035296.db2.gz BQUKUSIYNXSYTJ-SNVBAGLBSA-N 1 0 388.377 4.190 20 0 GIADRO CCCc1ccc([C@@H](NC(=O)C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)C(C)C)cc1 ZINC000414783870 824035754 /nfs/dbraw/zinc/03/57/54/824035754.db2.gz RISRBHBMOHZSHP-IERDGZPVSA-N 1 0 381.520 4.111 20 0 GIADRO CC(C)Cc1ccc([C@H](NC(=O)C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)C2CC2)cc1 ZINC000414782423 824035843 /nfs/dbraw/zinc/03/58/43/824035843.db2.gz ONLKBDPRGDQYGD-ZHRRBRCNSA-N 1 0 393.531 4.111 20 0 GIADRO COc1cccc(C[N@@H+]2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)c1OC ZINC000575956240 824037017 /nfs/dbraw/zinc/03/70/17/824037017.db2.gz POCVZZWAYYRFIR-SFHVURJKSA-N 1 0 384.524 4.249 20 0 GIADRO CN(C(=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1)[C@@H](C[NH3+])C1CC1 ZINC000414797038 824037295 /nfs/dbraw/zinc/03/72/95/824037295.db2.gz WEXSLMMJZXHERM-SFHVURJKSA-N 1 0 389.446 4.080 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cc(C2CC2)nc2onc(C)c21 ZINC000171014194 824037514 /nfs/dbraw/zinc/03/75/14/824037514.db2.gz AKDNEPBJKJLJLQ-UHFFFAOYSA-N 1 0 392.503 4.133 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cn(CCOC)c2ccccc12 ZINC000171013724 824037520 /nfs/dbraw/zinc/03/75/20/824037520.db2.gz VVZZBSSARIUTNZ-UHFFFAOYSA-N 1 0 393.531 4.012 20 0 GIADRO Cc1cccnc1CCc1noc([C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)n1 ZINC000575958893 824037765 /nfs/dbraw/zinc/03/77/65/824037765.db2.gz YDHOUGJPTMVCEB-HYBUGGRVSA-N 1 0 388.515 4.112 20 0 GIADRO Cc1oc(-c2ccsc2)nc1CC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000171016159 824038256 /nfs/dbraw/zinc/03/82/56/824038256.db2.gz JANLULOFUQMAGF-UHFFFAOYSA-N 1 0 395.528 4.166 20 0 GIADRO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)NCC[NH2+]C1CCCCCC1 ZINC000414817117 824039192 /nfs/dbraw/zinc/03/91/92/824039192.db2.gz ZHQKFRXRFJJKHT-OAHLLOKOSA-N 1 0 385.474 4.325 20 0 GIADRO CC(=O)N(c1nc(CNCc2ccc([C@@H](C)[NH3+])cc2)cs1)c1ccc(C)cc1 ZINC000414816021 824039233 /nfs/dbraw/zinc/03/92/33/824039233.db2.gz YWWVVBOWIWEVFB-MRXNPFEDSA-N 1 0 394.544 4.446 20 0 GIADRO CCCNc1ccc(CNC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000192591130 824039682 /nfs/dbraw/zinc/03/96/82/824039682.db2.gz SPSGJDFLCPRMHH-JOCHJYFZSA-N 1 0 394.563 4.172 20 0 GIADRO Cc1cc(C(=O)N(Cc2ccccc2Br)C2CC[NH+](C)CC2)co1 ZINC000575964050 824039943 /nfs/dbraw/zinc/03/99/43/824039943.db2.gz NWUFSMQLHKBNQW-UHFFFAOYSA-N 1 0 391.309 4.087 20 0 GIADRO CC(C)(C)c1cc(NC(=O)N2CC[C@](C)(C[NH3+])C2)n(-c2cccc(Cl)c2)n1 ZINC000414846832 824041708 /nfs/dbraw/zinc/04/17/08/824041708.db2.gz IFZRPAWRXHPWCV-HXUWFJFHSA-N 1 0 389.931 4.026 20 0 GIADRO CCCCN(C(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1)[C@@H](CC)c1ccccc1 ZINC000414851618 824042244 /nfs/dbraw/zinc/04/22/44/824042244.db2.gz OMAOLADPSYLWSH-UWJYYQICSA-N 1 0 381.520 4.425 20 0 GIADRO CC(C)(C)OC(=O)N1CCC(C[NH+]2CCC(C(=O)c3ccccc3)CC2)CC1 ZINC000171030570 824042886 /nfs/dbraw/zinc/04/28/86/824042886.db2.gz TUYGXDZSFLEXTC-UHFFFAOYSA-N 1 0 386.536 4.228 20 0 GIADRO C[NH2+]CCC1CCN(C(=O)Nc2cc(C(C)(C)C)nn2-c2cccc(C)c2)CC1 ZINC000414856678 824043075 /nfs/dbraw/zinc/04/30/75/824043075.db2.gz YXVWTLWFBMWIBK-UHFFFAOYSA-N 1 0 397.567 4.332 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)c2c(C(F)(F)F)nc3ccccn32)c1 ZINC000414866963 824043433 /nfs/dbraw/zinc/04/34/33/824043433.db2.gz NNHURZONKWUTBS-UHFFFAOYSA-N 1 0 390.409 4.447 20 0 GIADRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N[C@H](C[NH3+])CC(C)C ZINC000414883094 824044959 /nfs/dbraw/zinc/04/49/59/824044959.db2.gz CLAOMFHHYABNBN-SFHVURJKSA-N 1 0 383.496 4.134 20 0 GIADRO CCC(=O)Nc1ccc(Cl)c(NC(=O)N(CCC[NH3+])Cc2ccccc2)c1 ZINC000414884547 824044991 /nfs/dbraw/zinc/04/49/91/824044991.db2.gz FMVFFZFOIFOWSM-UHFFFAOYSA-N 1 0 388.899 4.071 20 0 GIADRO CCN(c1ccccc1)c1ccc(CNC(=O)C2CC[NH+](C3CC3)CC2)cc1 ZINC000192612713 824045732 /nfs/dbraw/zinc/04/57/32/824045732.db2.gz MCXRALHBCZDBRB-UHFFFAOYSA-N 1 0 377.532 4.335 20 0 GIADRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000414889292 824045909 /nfs/dbraw/zinc/04/59/09/824045909.db2.gz LHGXEDLQICNTMG-LJQANCHMSA-N 1 0 395.507 4.149 20 0 GIADRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000414892558 824046398 /nfs/dbraw/zinc/04/63/98/824046398.db2.gz QDCWFKFCBDMTAV-OXQOHEQNSA-N 1 0 395.507 4.373 20 0 GIADRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N[C@H](C)CCCC[NH3+] ZINC000414895217 824047103 /nfs/dbraw/zinc/04/71/03/824047103.db2.gz WBRHHHRTVJLYPQ-MRXNPFEDSA-N 1 0 383.496 4.278 20 0 GIADRO Cc1cc(NC(=O)N2CCC(C)=C(C)C2)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000575998449 824047309 /nfs/dbraw/zinc/04/73/09/824047309.db2.gz LOSOITOQCVRSGU-OAQYLSRUSA-N 1 0 393.535 4.213 20 0 GIADRO Cn1ccnc1[C@H](O)[C@@H]1CCC[N@H+](CCCc2c(Cl)cccc2Cl)C1 ZINC000192627029 824049191 /nfs/dbraw/zinc/04/91/91/824049191.db2.gz DZPIYNAFRLMCJR-RDTXWAMCSA-N 1 0 382.335 4.105 20 0 GIADRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)cc1 ZINC000414919186 824049972 /nfs/dbraw/zinc/04/99/72/824049972.db2.gz WJQKMNWXSMKUCS-YADHBBJMSA-N 1 0 397.519 4.189 20 0 GIADRO C[C@@H](O)c1ccc(CNC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)cc1 ZINC000171057016 824050179 /nfs/dbraw/zinc/05/01/79/824050179.db2.gz RTRNQJDSSCJRKC-LJQANCHMSA-N 1 0 395.547 4.115 20 0 GIADRO CC(C)(C)C[C@@H](NC(=O)C(=O)Nc1ccc(C[NH3+])cc1)c1ccc(Cl)cc1 ZINC000414923721 824050381 /nfs/dbraw/zinc/05/03/81/824050381.db2.gz FQUUKMFZRNKERC-GOSISDBHSA-N 1 0 387.911 4.031 20 0 GIADRO CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000171058750 824050528 /nfs/dbraw/zinc/05/05/28/824050528.db2.gz JJCWUPWWBDXZDE-QFIPXVFZSA-N 1 0 380.532 4.250 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@H]1CCCc2cc(N)ccc21 ZINC000414921630 824050542 /nfs/dbraw/zinc/05/05/42/824050542.db2.gz DZVCJNKODRFYPF-ACJLOTCBSA-N 1 0 387.911 4.315 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)C[N@@H+](C)[C@@H]2CCCC[C@H]2C)c(C(F)(F)F)c1 ZINC000192631489 824050847 /nfs/dbraw/zinc/05/08/47/824050847.db2.gz DRSXXFMKIXUTQZ-SJKOYZFVSA-N 1 0 385.430 4.113 20 0 GIADRO CCC(C)(C)NC(=O)c1ccc(NC(=O)N[C@@H](CCC[NH3+])c2ccccc2)cc1 ZINC000414925644 824050907 /nfs/dbraw/zinc/05/09/07/824050907.db2.gz ITSJOEFISZNBAE-FQEVSTJZSA-N 1 0 396.535 4.207 20 0 GIADRO COc1cc(C[NH2+][C@H]2CCCc3cc(N)ccc32)ccc1OCC(F)(F)F ZINC000414925926 824050922 /nfs/dbraw/zinc/05/09/22/824050922.db2.gz KLAUQWWCUUSMEH-KRWDZBQOSA-N 1 0 380.410 4.386 20 0 GIADRO [NH3+]CCCN(CC1CCCC1)C(=O)Nc1cccc(OCc2cccnc2)c1 ZINC000414927633 824050995 /nfs/dbraw/zinc/05/09/95/824050995.db2.gz PCJIOUACNVCXTN-UHFFFAOYSA-N 1 0 382.508 4.034 20 0 GIADRO C[C@H]([NH3+])c1ccc(CNC(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)cc1 ZINC000414929998 824051466 /nfs/dbraw/zinc/05/14/66/824051466.db2.gz AIKDLLCCUYVENL-IRXDYDNUSA-N 1 0 394.519 4.043 20 0 GIADRO C[N@H+](CCc1cccc(NC(=O)Nc2ccc(-c3ncon3)cc2)c1)C1CC1 ZINC000576025034 824052347 /nfs/dbraw/zinc/05/23/47/824052347.db2.gz SESXTISDALGHEW-UHFFFAOYSA-N 1 0 377.448 4.017 20 0 GIADRO COc1cccc(-c2nn(C(C)(C)C)cc2CN2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c1 ZINC000576028520 824053293 /nfs/dbraw/zinc/05/32/93/824053293.db2.gz JEMFVYTVIXLXIV-AVRDEDQJSA-N 1 0 396.579 4.372 20 0 GIADRO COc1ccc2onc(CC(=O)Nc3ccc(C[N@@H+]4CCCC[C@H]4C)cc3)c2c1 ZINC000414950147 824053378 /nfs/dbraw/zinc/05/33/78/824053378.db2.gz HIFMWILBPPSKGB-MRXNPFEDSA-N 1 0 393.487 4.392 20 0 GIADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)Nc1ccccc1CN1CCc2ccccc21 ZINC000414953155 824053846 /nfs/dbraw/zinc/05/38/46/824053846.db2.gz APFCTFFOUHLPHV-HXUWFJFHSA-N 1 0 380.536 4.086 20 0 GIADRO C[N@H+](Cc1ccccc1CNC(=O)Cc1cn2ccsc2n1)C1CCCCC1 ZINC000072006084 205302509 /nfs/dbraw/zinc/30/25/09/205302509.db2.gz LVYMETNKWDTKLB-UHFFFAOYSA-N 1 0 396.560 4.019 20 0 GIADRO [NH3+]C1CC2(C1)CCN(C(F)(F)c1ccc3nc(Cl)c(Cl)nc3c1)CC2 ZINC001164387714 718801817 /nfs/dbraw/zinc/80/18/17/718801817.db2.gz NAZGXXVHMOWIGJ-UHFFFAOYSA-N 1 0 387.261 4.189 20 0 GIADRO Cc1sc2nc(CN3CCCC3)nc(N3CCC4(CCCC[NH2+]4)CC3)c2c1C ZINC001164387219 718803257 /nfs/dbraw/zinc/80/32/57/718803257.db2.gz JFCXQAPGKDOWHK-UHFFFAOYSA-N 1 0 399.608 4.016 20 0 GIADRO FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1CCC2(CCCC[NH2+]2)CC1 ZINC001164387786 718803316 /nfs/dbraw/zinc/80/33/16/718803316.db2.gz PWSAVGWBUIRSKB-UHFFFAOYSA-N 1 0 392.881 4.454 20 0 GIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3c4ccccc4C(=O)[C@H]3C2)nc1 ZINC001164408762 718849334 /nfs/dbraw/zinc/84/93/34/718849334.db2.gz SVPCGAUOUMFQAX-FDFHNCONSA-N 1 0 375.516 4.435 20 0 GIADRO Cc1cc(Cl)ncc1C(F)(F)N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001164413795 718880595 /nfs/dbraw/zinc/88/05/95/718880595.db2.gz NHCYGVYZHXUDSP-LBPRGKRZSA-N 1 0 383.792 4.242 20 0 GIADRO FC(F)(c1ccc2ncc(Cl)nc2c1)N1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001164417259 718891878 /nfs/dbraw/zinc/89/18/78/718891878.db2.gz IQIGGICDSQVCDO-QGZVFWFLSA-N 1 0 380.870 4.187 20 0 GIADRO Cc1cc(Cl)nc(C(F)(F)N2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c1 ZINC001164621716 719046383 /nfs/dbraw/zinc/04/63/83/719046383.db2.gz JPLUAECUQKVMHW-APWZRJJASA-N 1 0 377.866 4.172 20 0 GIADRO c1ccc(C[N@H+]2C[C@H]3[C@H](C2)CCCN3c2nccc(Oc3ccccc3)n2)cc1 ZINC001164619959 719067249 /nfs/dbraw/zinc/06/72/49/719067249.db2.gz DKJFKVXXPQUQMX-UNMCSNQZSA-N 1 0 386.499 4.370 20 0 GIADRO Clc1ccc2cnc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)nc2c1 ZINC001164623624 719084030 /nfs/dbraw/zinc/08/40/30/719084030.db2.gz JZQVZYPYZBRDTA-RXVVDRJESA-N 1 0 378.907 4.384 20 0 GIADRO c1csc(-c2cc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)ncn2)c1 ZINC001164623430 719101287 /nfs/dbraw/zinc/10/12/87/719101287.db2.gz CZBCVQIALOXRTM-UYAOXDASSA-N 1 0 376.529 4.306 20 0 GIADRO c1cc(-c2ccc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)nn2)cs1 ZINC001164630073 719107866 /nfs/dbraw/zinc/10/78/66/719107866.db2.gz UWPRJAGCQPNDEM-GHTZIAJQSA-N 1 0 376.529 4.306 20 0 GIADRO [NH3+]C1([C@H]2CN(C(F)(F)c3cc(Cl)nc4c3CCCCC4)C[C@H]2CF)CC1 ZINC001164619150 719127355 /nfs/dbraw/zinc/12/73/55/719127355.db2.gz CMQNPRIOZHWDOJ-DOMZBBRYSA-N 1 0 387.877 4.062 20 0 GIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ncc4ccccc4n2)CC3)cs1 ZINC001164690885 719803235 /nfs/dbraw/zinc/80/32/35/719803235.db2.gz BSTIVMNPTRMXBC-UHFFFAOYSA-N 1 0 379.533 4.030 20 0 GIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ccc(C(C)(C)C)nn2)CC3)cs1 ZINC001164693031 719814171 /nfs/dbraw/zinc/81/41/71/719814171.db2.gz SVKHCQGGMJYODD-UHFFFAOYSA-N 1 0 385.581 4.174 20 0 GIADRO Cc1ccc2ccnc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)c2c1 ZINC001164695295 719892204 /nfs/dbraw/zinc/89/22/04/719892204.db2.gz LYDWQDOJDPKYBU-UHFFFAOYSA-N 1 0 393.556 4.476 20 0 GIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nccc3cc(Cl)ccc31)C2 ZINC001164807880 720097885 /nfs/dbraw/zinc/09/78/85/720097885.db2.gz GIALZRRLUQTZMS-GCJKJVERSA-N 1 0 385.939 4.073 20 0 GIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc3ccccc3cc1Cl)C2 ZINC001164814308 720101216 /nfs/dbraw/zinc/10/12/16/720101216.db2.gz WMGPJXUIAZOIII-PGRDOPGGSA-N 1 0 385.939 4.073 20 0 GIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc3c(Cl)cccc3n1)C2 ZINC001164814944 720110235 /nfs/dbraw/zinc/11/02/35/720110235.db2.gz UPOTUNLZANESNJ-VGSWGCGISA-N 1 0 385.939 4.073 20 0 GIADRO Cc1ccc2c(c1)nc(Cl)cc2N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164726509 720397251 /nfs/dbraw/zinc/39/72/51/720397251.db2.gz OZWPVTBWJATUQZ-VQTJNVASSA-N 1 0 378.907 4.445 20 0 GIADRO Cc1cc2nc(Cl)c(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)nc2cc1C ZINC001164725820 720405067 /nfs/dbraw/zinc/40/50/67/720405067.db2.gz NQUJRFXMEVLSIV-UXHICEINSA-N 1 0 393.922 4.148 20 0 GIADRO Cc1ccc(F)c2cc(C)c(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)nc12 ZINC001164726511 720405607 /nfs/dbraw/zinc/40/56/07/720405607.db2.gz PAONMNVFOHQTCT-LEWJYISDSA-N 1 0 376.479 4.239 20 0 GIADRO Clc1ccccc1-c1ccc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)nn1 ZINC001164728307 720408354 /nfs/dbraw/zinc/40/83/54/720408354.db2.gz SXCRSTQOYVSJEO-NHCUHLMSSA-N 1 0 391.906 4.045 20 0 GIADRO Cc1cc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)nc2c(Cl)cccc12 ZINC001164726401 720416194 /nfs/dbraw/zinc/41/61/94/720416194.db2.gz BVYGNQBMEJJMCC-WOJBJXKFSA-N 1 0 378.907 4.445 20 0 GIADRO COc1cc2cnc(Cl)cc2cc1N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164731648 720488399 /nfs/dbraw/zinc/48/83/99/720488399.db2.gz XEZHYXQYUNQWKS-OALUTQOASA-N 1 0 394.906 4.145 20 0 GIADRO Cc1ccc2nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)ccc2c1 ZINC001164840697 720507326 /nfs/dbraw/zinc/50/73/26/720507326.db2.gz XICCOENKHJXLLJ-MQSCRBSSSA-N 1 0 389.547 4.118 20 0 GIADRO Cc1ccc2ccnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)c2c1 ZINC001164838053 720542473 /nfs/dbraw/zinc/54/24/73/720542473.db2.gz NRBRDHILBLFUDO-QZNHQXDQSA-N 1 0 389.547 4.118 20 0 GIADRO Cc1cc2ccccc2c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164838602 720573526 /nfs/dbraw/zinc/57/35/26/720573526.db2.gz OSAYRQLUZPEILX-QNWVGRARSA-N 1 0 389.547 4.118 20 0 GIADRO Cc1ccc2c(C)cc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)nc2c1C ZINC001164736075 720582764 /nfs/dbraw/zinc/58/27/64/720582764.db2.gz AGEKFESTIFMBDI-UHFFFAOYSA-N 1 0 389.547 4.015 20 0 GIADRO Cc1ccc(Cl)nc1N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164844240 720658430 /nfs/dbraw/zinc/65/84/30/720658430.db2.gz ZGWFENGZOOGHJN-IBGZPJMESA-N 1 0 385.939 4.303 20 0 GIADRO Cc1cc(Cl)cc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164843321 720662417 /nfs/dbraw/zinc/66/24/17/720662417.db2.gz WFNCXIOJEQUCAG-FQEVSTJZSA-N 1 0 385.939 4.303 20 0 GIADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(Cl)ccc1F)CC2 ZINC001164837571 720672149 /nfs/dbraw/zinc/67/21/49/720672149.db2.gz DBRUPWKMYNCWFI-QGZVFWFLSA-N 1 0 389.902 4.134 20 0 GIADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nccc(C(C)(C)C)n1)CC2 ZINC001164840370 720683507 /nfs/dbraw/zinc/68/35/07/720683507.db2.gz DHLCGQAFCCUOPF-FQEVSTJZSA-N 1 0 394.563 4.034 20 0 GIADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc3c(n1)CCCC3)CC2 ZINC001164845348 720684092 /nfs/dbraw/zinc/68/40/92/720684092.db2.gz YLEQCNHBMDSCKB-JOCHJYFZSA-N 1 0 391.559 4.220 20 0 GIADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(C3CCC3)ncn1)CC2 ZINC001164840902 720722553 /nfs/dbraw/zinc/72/25/53/720722553.db2.gz SDSAOZLXUXUKES-NRFANRHFSA-N 1 0 392.547 4.004 20 0 GIADRO Cc1cc(C(C)C)nc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164840969 720726411 /nfs/dbraw/zinc/72/64/11/720726411.db2.gz TXWGGQWUDFFDHI-NRFANRHFSA-N 1 0 394.563 4.168 20 0 GIADRO COc1ccc2nc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@H]3C)cc(C)c2c1 ZINC001164859180 720963098 /nfs/dbraw/zinc/96/30/98/720963098.db2.gz KTPTUQJTVZKUHG-QGZVFWFLSA-N 1 0 393.535 4.170 20 0 GIADRO COc1ccc2c(C)cc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@H]3C)nc2c1 ZINC001164858927 720978245 /nfs/dbraw/zinc/97/82/45/720978245.db2.gz JIBGZZKZTJEVPF-QGZVFWFLSA-N 1 0 393.535 4.170 20 0 GIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3[C@@H](CCN3C(=O)C(C)C)C2)nc1 ZINC001164888194 721467209 /nfs/dbraw/zinc/46/72/09/721467209.db2.gz FDQYJQNXWJNIIQ-BDTNDASRSA-N 1 0 398.595 4.102 20 0 GIADRO Cc1nc(Cl)c(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)nc1C ZINC001164792237 721496111 /nfs/dbraw/zinc/49/61/11/721496111.db2.gz LBDMPYJPXOJMOT-UHFFFAOYSA-N 1 0 385.943 4.023 20 0 GIADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nnc(Cl)c3ccoc31)CC2 ZINC001164796287 721497822 /nfs/dbraw/zinc/49/78/22/721497822.db2.gz PFUVTJOWEXMKJU-UHFFFAOYSA-N 1 0 397.910 4.152 20 0 GIADRO CC(C)COc1cccc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164796957 721498862 /nfs/dbraw/zinc/49/88/62/721498862.db2.gz ZYOBXZWVCSAGIJ-UHFFFAOYSA-N 1 0 394.563 4.392 20 0 GIADRO CSCc1ccnc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c1 ZINC001164796205 721503103 /nfs/dbraw/zinc/50/31/03/721503103.db2.gz PTAFPDPZWHMRQO-UHFFFAOYSA-N 1 0 382.577 4.221 20 0 GIADRO F[C@@H](Oc1ccnc(Cl)c1)N1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001165014208 721767502 /nfs/dbraw/zinc/76/75/02/721767502.db2.gz FDASVHYGZVAMAI-HXUWFJFHSA-N 1 0 398.825 4.374 20 0 GIADRO F[C@@H](Oc1cccc(Cl)n1)N1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001165015949 721767736 /nfs/dbraw/zinc/76/77/36/721767736.db2.gz UCPGFZASQJKICZ-HXUWFJFHSA-N 1 0 398.825 4.374 20 0 GIADRO Cc1nc2sccc2c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165028858 721798681 /nfs/dbraw/zinc/79/86/81/721798681.db2.gz ZYRFNGZBVWBEMK-DBVUQKKJSA-N 1 0 393.560 4.132 20 0 GIADRO Cc1cccc2ncc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)nc12 ZINC001165026412 721809573 /nfs/dbraw/zinc/80/95/73/721809573.db2.gz PWKRXBJBINDMCC-CZTZKLFOSA-N 1 0 387.531 4.070 20 0 GIADRO Cc1nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc2ccccc12 ZINC001165027367 721809610 /nfs/dbraw/zinc/80/96/10/721809610.db2.gz UJYWKCYHXZLFCQ-QTGUNEKASA-N 1 0 387.531 4.070 20 0 GIADRO Cc1ccc2nc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)ncc2c1 ZINC001165024166 721813949 /nfs/dbraw/zinc/81/39/49/721813949.db2.gz JKIXMDBOTYVIIS-QTGUNEKASA-N 1 0 387.531 4.070 20 0 GIADRO CC(C)COc1cccc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165027311 721820498 /nfs/dbraw/zinc/82/04/98/721820498.db2.gz UHDMOCNJIVDXAJ-ILWGZMRPSA-N 1 0 394.563 4.248 20 0 GIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(-c4ccncc4)cn3)C[C@H]21 ZINC001165023171 721822611 /nfs/dbraw/zinc/82/26/11/721822611.db2.gz HXULKUQBXKLULK-QPTUXGOLSA-N 1 0 399.542 4.276 20 0 GIADRO Cc1cc2c(ccnc2N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)o1 ZINC001165024038 721826238 /nfs/dbraw/zinc/82/62/38/721826238.db2.gz JJWSVXGUXSSPKJ-WMQCIHAUSA-N 1 0 376.504 4.268 20 0 GIADRO CSCc1ccnc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165027010 721828807 /nfs/dbraw/zinc/82/88/07/721828807.db2.gz QSTZRGFWYFCULN-TYPHKJRUSA-N 1 0 382.577 4.077 20 0 GIADRO CCSc1ccnc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165021407 721829402 /nfs/dbraw/zinc/82/94/02/721829402.db2.gz FIFFIDWLQDWICF-YYWHXJBOSA-N 1 0 382.577 4.326 20 0 GIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncc(C)cc2Cl)CC1 ZINC001165019274 721838603 /nfs/dbraw/zinc/83/86/03/721838603.db2.gz CARKDPWUBLWGGT-UHFFFAOYSA-N 1 0 389.927 4.161 20 0 GIADRO Fc1ccc2nc(C(F)(F)N3CC[NH+](C4CCCC4)CC3)nc(Cl)c2c1 ZINC001165029106 721855589 /nfs/dbraw/zinc/85/55/89/721855589.db2.gz SAVPREFAGAUPFD-UHFFFAOYSA-N 1 0 384.833 4.032 20 0 GIADRO FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1CC[NH+](C2CCCC2)CC1 ZINC001165032649 721860190 /nfs/dbraw/zinc/86/01/90/721860190.db2.gz XBCCTMQYIICYIX-UHFFFAOYSA-N 1 0 392.881 4.407 20 0 GIADRO COCc1nc2scc(-c3ccccc3)c2c(N2CCC[C@H]([NH+](C)C)C2)n1 ZINC000057838507 721897607 /nfs/dbraw/zinc/89/76/07/721897607.db2.gz GMSMAQISUYNHJH-INIZCTEOSA-N 1 0 382.533 4.035 20 0 GIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(C)ccc4Cl)CC3)C2)cc1 ZINC001164939765 721922746 /nfs/dbraw/zinc/92/27/46/721922746.db2.gz MUZSSAAEIBBPCD-UHFFFAOYSA-N 1 0 385.939 4.223 20 0 GIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(Cl)ccc4F)CC3)C2)cc1 ZINC001164938972 721923090 /nfs/dbraw/zinc/92/30/90/721923090.db2.gz FEKKEVIZQCDJNI-UHFFFAOYSA-N 1 0 389.902 4.054 20 0 GIADRO COc1cccc(-c2nc3ccccc3c(N(C)CC3CC[NH+](C)CC3)n2)c1 ZINC001165042074 721937871 /nfs/dbraw/zinc/93/78/71/721937871.db2.gz FFDLWMZHPCZRDK-UHFFFAOYSA-N 1 0 376.504 4.083 20 0 GIADRO CC(C)(C)NC(=O)c1cc(Cl)nc(N2CCCC[C@@H]2CC[NH+]2CCCC2)c1 ZINC001165049704 721971783 /nfs/dbraw/zinc/97/17/83/721971783.db2.gz VJXIOLCQEMMMCS-QGZVFWFLSA-N 1 0 392.975 4.108 20 0 GIADRO CN(C)c1ccc(-c2ccnc(N3CCCC[C@@H]3CC[NH+]3CCCC3)n2)cc1 ZINC001165048095 721974240 /nfs/dbraw/zinc/97/42/40/721974240.db2.gz IYKLJGWAGMLINK-OAQYLSRUSA-N 1 0 379.552 4.054 20 0 GIADRO FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001165049071 721974253 /nfs/dbraw/zinc/97/42/53/721974253.db2.gz MKXYPMLGAJSMGZ-ZDUSSCGKSA-N 1 0 393.309 4.259 20 0 GIADRO CCOc1ccc(-c2ccc(N3CCCC[C@H]3CC[NH+]3CCCC3)nn2)cc1 ZINC001165050203 721976884 /nfs/dbraw/zinc/97/68/84/721976884.db2.gz WAGVXPYWYXENPE-FQEVSTJZSA-N 1 0 380.536 4.387 20 0 GIADRO FC(F)(c1ccc(Cl)nc1)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164954654 722012279 /nfs/dbraw/zinc/01/22/79/722012279.db2.gz NUHHBJKVBMOSAA-UHFFFAOYSA-N 1 0 392.881 4.167 20 0 GIADRO c1ccc2c(c1)[C@H](OCC1CC1)[C@@H]1CN(c3ncccc3C[NH+]3CCCC3)C[C@H]21 ZINC001164977445 722171561 /nfs/dbraw/zinc/17/15/61/722171561.db2.gz NXZWZRDDYAYVQL-SMIHKQSGSA-N 1 0 389.543 4.379 20 0 GIADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2nnc(Cl)c4ccoc42)C3)c1 ZINC001164993744 722204543 /nfs/dbraw/zinc/20/45/43/722204543.db2.gz AJWGJUDUHUHALJ-HXUWFJFHSA-N 1 0 386.858 4.260 20 0 GIADRO COc1nnc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c2ccccc21 ZINC001164995454 722207566 /nfs/dbraw/zinc/20/75/66/722207566.db2.gz NTGXJLIFRPBPLC-HSZRJFAPSA-N 1 0 392.478 4.022 20 0 GIADRO CCOCc1cccc(NC(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000175808378 823045177 /nfs/dbraw/zinc/04/51/77/823045177.db2.gz QPQXQAPILISXRK-JOCHJYFZSA-N 1 0 381.520 4.351 20 0 GIADRO O=c1cc(C[N@H+]2CCC[C@H]2C[C@H](O)c2cccs2)c2cc3c(cc2o1)CCC3 ZINC000175815417 823046767 /nfs/dbraw/zinc/04/67/67/823046767.db2.gz VAORSEYMOTZVOU-ICSRJNTNSA-N 1 0 395.524 4.431 20 0 GIADRO CCCc1cccc(C(C)C)c1NC(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000570499034 823046975 /nfs/dbraw/zinc/04/69/75/823046975.db2.gz HQHQRTXFFUXCKV-UHFFFAOYSA-N 1 0 386.584 4.100 20 0 GIADRO C[C@H]([NH2+][C@H](CO)C[C@H](O)C(C)(C)C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000570502282 823047098 /nfs/dbraw/zinc/04/70/98/823047098.db2.gz NTLSZYROOKGRHT-BUKVSMQUSA-N 1 0 389.511 4.213 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)NCC(C)(C)c2ccccc2)CC1 ZINC000175820551 823047963 /nfs/dbraw/zinc/04/79/63/823047963.db2.gz TYXAAJKDYMYVCM-UHFFFAOYSA-N 1 0 379.548 4.270 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC1CCC(C(F)F)CC1 ZINC000458509483 823048858 /nfs/dbraw/zinc/04/88/58/823048858.db2.gz PLYNOJMJZDSJBJ-JYPHPWERSA-N 1 0 379.495 4.020 20 0 GIADRO COc1ccc([C@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)c2ccco2)cc1 ZINC000458510540 823049082 /nfs/dbraw/zinc/04/90/82/823049082.db2.gz PXZMFCMNMUWCDX-QFIPXVFZSA-N 1 0 397.519 4.084 20 0 GIADRO CC(F)(F)c1cccc(NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)c1 ZINC000187360016 823049354 /nfs/dbraw/zinc/04/93/54/823049354.db2.gz QPJKXPNAVGJOMV-UHFFFAOYSA-N 1 0 388.458 4.255 20 0 GIADRO Cc1ccc(NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(OC[C@H]2CCCO2)c1 ZINC000570525333 823049931 /nfs/dbraw/zinc/04/99/31/823049931.db2.gz LNEJBDQFCIHBAC-NHCUHLMSSA-N 1 0 394.515 4.013 20 0 GIADRO C[C@H](NC(=O)NC(C)(C)CCC[NH+](C)C)c1cccc(OC(F)(F)F)c1 ZINC000458518449 823050183 /nfs/dbraw/zinc/05/01/83/823050183.db2.gz NEWMUBAWEHVSOU-ZDUSSCGKSA-N 1 0 375.435 4.066 20 0 GIADRO Cc1ccc([C@H](C)NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)cc1F ZINC000458520738 823050368 /nfs/dbraw/zinc/05/03/68/823050368.db2.gz KQQJPAASTZAYKO-AWEZNQCLSA-N 1 0 389.437 4.253 20 0 GIADRO Cc1cccc(NC(=O)NCc2ccc(C[NH+](C)C)c(F)c2)c1Br ZINC000120729994 823053939 /nfs/dbraw/zinc/05/39/39/823053939.db2.gz NNFYEOWTJUMMJM-UHFFFAOYSA-N 1 0 394.288 4.280 20 0 GIADRO Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)NC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000175837628 823051816 /nfs/dbraw/zinc/05/18/16/823051816.db2.gz FJKXDCGFQZVSMJ-NFBKMPQASA-N 1 0 399.579 4.169 20 0 GIADRO CC1CC[NH+]([C@H](CNC(=O)Nc2ccc([S@@](C)=O)cc2)c2ccccc2)CC1 ZINC000175840469 823052573 /nfs/dbraw/zinc/05/25/73/823052573.db2.gz VMAICBHRXAWIHQ-LYZGTLIUSA-N 1 0 399.560 4.019 20 0 GIADRO CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CC[C@@H](O)CC(C)(C)C2)c1 ZINC000458539148 823052713 /nfs/dbraw/zinc/05/27/13/823052713.db2.gz JFVOWRVBUOVKKM-OAQYLSRUSA-N 1 0 389.584 4.001 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000458539570 823052769 /nfs/dbraw/zinc/05/27/69/823052769.db2.gz HKQWVPACUDHVNS-SFHVURJKSA-N 1 0 387.549 4.124 20 0 GIADRO Cc1ccccc1C[NH2+]C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000187380152 823052838 /nfs/dbraw/zinc/05/28/38/823052838.db2.gz QPULRFAMUSQWSG-UHFFFAOYSA-N 1 0 376.422 4.408 20 0 GIADRO Cc1cccc(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1Br ZINC000120725901 823053250 /nfs/dbraw/zinc/05/32/50/823053250.db2.gz BHBKGMQUTAMEEQ-HNNXBMFYSA-N 1 0 392.297 4.309 20 0 GIADRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc(C(F)(F)F)s2)cc1 ZINC000570552202 823053242 /nfs/dbraw/zinc/05/32/42/823053242.db2.gz OJTVFKWIXZYOQX-NSHDSACASA-N 1 0 377.453 4.411 20 0 GIADRO CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CC[C@@H](OCC)[C@@H](C)C2)c1 ZINC000458545752 823053752 /nfs/dbraw/zinc/05/37/52/823053752.db2.gz PMKKLEWNYHEQHW-SIKLNZKXSA-N 1 0 389.584 4.265 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H](c1nc(C)cs1)C1CC1 ZINC000175848896 823054898 /nfs/dbraw/zinc/05/48/98/823054898.db2.gz NNXLWUUFPMUMDO-LJQANCHMSA-N 1 0 386.565 4.196 20 0 GIADRO COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)CCCC[NH+](C)C)CCO2 ZINC000570561869 823055261 /nfs/dbraw/zinc/05/52/61/823055261.db2.gz WUGRUGMRUQXQOB-QFIPXVFZSA-N 1 0 396.531 4.280 20 0 GIADRO COc1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)CCCC[NH+](C)C)CCO2 ZINC000570561868 823055293 /nfs/dbraw/zinc/05/52/93/823055293.db2.gz WUGRUGMRUQXQOB-JOCHJYFZSA-N 1 0 396.531 4.280 20 0 GIADRO O=C(c1ccc(C[N@H+]2CCC[C@H]2C[C@H](O)c2cccs2)cc1)N1CCCC1 ZINC000175850091 823055433 /nfs/dbraw/zinc/05/54/33/823055433.db2.gz FMJYJZHERYYXJD-PMACEKPBSA-N 1 0 384.545 4.072 20 0 GIADRO O=C(C[C@H]1CCC[N@H+](C[C@H]2CCC3(CCCC3)O2)C1)NCc1ccc(F)cc1 ZINC000570567111 823055668 /nfs/dbraw/zinc/05/56/68/823055668.db2.gz RCPFYWRQNVOSIK-TZIWHRDSSA-N 1 0 388.527 4.036 20 0 GIADRO Cc1csc([C@@H](NC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)C2CC2)n1 ZINC000175851766 823055666 /nfs/dbraw/zinc/05/56/66/823055666.db2.gz HZDJCXPSYTWNPV-HKUYNNGSSA-N 1 0 390.597 4.200 20 0 GIADRO Cc1ccc(Cl)c(NC(=O)N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000120760385 823058569 /nfs/dbraw/zinc/05/85/69/823058569.db2.gz ZBDKIBZIDFORSA-HZPDHXFCSA-N 1 0 379.932 4.002 20 0 GIADRO COc1ccc([C@H](C[NH3+])CN(Cc2cccc(C)c2)Cc2ccccn2)cc1 ZINC000570573055 823056205 /nfs/dbraw/zinc/05/62/05/823056205.db2.gz FZDLVXRMCXOKNV-JOCHJYFZSA-N 1 0 375.516 4.143 20 0 GIADRO CC[C@H](CN(CC)C(=O)NC1CC[NH+](Cc2ccccn2)CC1)c1ccccc1 ZINC000187403423 823056529 /nfs/dbraw/zinc/05/65/29/823056529.db2.gz LAXDBQBGKQSXSG-HXUWFJFHSA-N 1 0 394.563 4.271 20 0 GIADRO CC[C@@H](CN(CC)C(=O)NC1CC[NH+](Cc2ccccn2)CC1)c1ccccc1 ZINC000187403410 823056691 /nfs/dbraw/zinc/05/66/91/823056691.db2.gz LAXDBQBGKQSXSG-FQEVSTJZSA-N 1 0 394.563 4.271 20 0 GIADRO CCC(CC)c1cc(C(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)on1 ZINC000120749742 823056782 /nfs/dbraw/zinc/05/67/82/823056782.db2.gz KYXRNFWUHYHZCM-KRWDZBQOSA-N 1 0 399.535 4.208 20 0 GIADRO Cc1nc([C@H]2CCCN2C(=O)NC2CC[NH+](C3CCCCC3)CC2)cs1 ZINC000187407344 823057118 /nfs/dbraw/zinc/05/71/18/823057118.db2.gz BZFARNZKQPVZSS-LJQANCHMSA-N 1 0 376.570 4.095 20 0 GIADRO Cc1cc(C)c(NC(=O)CNc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)c(C)c1 ZINC000055870232 823057503 /nfs/dbraw/zinc/05/75/03/823057503.db2.gz OOBRUOVVTQFSTL-PMACEKPBSA-N 1 0 395.547 4.272 20 0 GIADRO CN(C)C(=O)c1cccc(C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2cccs2)c1 ZINC000175860658 823057587 /nfs/dbraw/zinc/05/75/87/823057587.db2.gz UITGSVWUVMZNII-UXHICEINSA-N 1 0 386.561 4.318 20 0 GIADRO Cc1ccc(Cl)c(NC(=O)N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000120760550 823058865 /nfs/dbraw/zinc/05/88/65/823058865.db2.gz ZBDKIBZIDFORSA-HOTGVXAUSA-N 1 0 379.932 4.002 20 0 GIADRO COc1ccc2c(c1)c(C(=O)N1CC[C@H](C[NH+](C)C)C1)c(C)n2C1CCCC1 ZINC000120762198 823059008 /nfs/dbraw/zinc/05/90/08/823059008.db2.gz BGJJPVBIVFWMGR-QGZVFWFLSA-N 1 0 383.536 4.097 20 0 GIADRO C[C@@H]([NH2+]CC1(c2ccccc2Cl)CCCCC1)C1CCS(=O)(=O)CC1 ZINC000187414896 823058968 /nfs/dbraw/zinc/05/89/68/823058968.db2.gz QVQRJZFOPNTRHS-MRXNPFEDSA-N 1 0 383.985 4.345 20 0 GIADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CC(c3cccc(Cl)c3)C2)CC1 ZINC000458586117 823059670 /nfs/dbraw/zinc/05/96/70/823059670.db2.gz VFWJWRMNORPSAS-INIZCTEOSA-N 1 0 398.938 4.069 20 0 GIADRO Cc1ccccc1C(C)(C)NC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000458584232 823059706 /nfs/dbraw/zinc/05/97/06/823059706.db2.gz TZCZHQJYDZSICI-SFHVURJKSA-N 1 0 380.536 4.150 20 0 GIADRO 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 823060172 /nfs/dbraw/zinc/06/01/72/823060172.db2.gz XBUPRNBBMQWLSP-HZMVEIRTSA-N 1 0 377.495 4.115 20 0 GIADRO 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 823060344 /nfs/dbraw/zinc/06/03/44/823060344.db2.gz XBUPRNBBMQWLSP-YLFCFFPRSA-N 1 0 377.495 4.115 20 0 GIADRO COc1ccc2nc(C[NH2+][C@H](C)c3cccc(N4CCOC4=O)c3)sc2c1 ZINC000187423361 823060965 /nfs/dbraw/zinc/06/09/65/823060965.db2.gz SYPIOAIGSZXEMH-CYBMUJFWSA-N 1 0 383.473 4.112 20 0 GIADRO COC(=O)COc1c(C)cc(C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)cc1C ZINC000120773307 823061172 /nfs/dbraw/zinc/06/11/72/823061172.db2.gz WUGJLWUFFWTUTI-DENIHFKCSA-N 1 0 397.515 4.113 20 0 GIADRO Cc1cc(Br)ccc1NC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000175875577 823061548 /nfs/dbraw/zinc/06/15/48/823061548.db2.gz UAHQJRHSCWONPW-UHFFFAOYSA-N 1 0 396.354 4.415 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1c[nH]c2cccc(F)c12 ZINC000120778330 823062216 /nfs/dbraw/zinc/06/22/16/823062216.db2.gz HZYFTEADSDBKAP-SFHVURJKSA-N 1 0 379.479 4.291 20 0 GIADRO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)N1C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000458605802 823062544 /nfs/dbraw/zinc/06/25/44/823062544.db2.gz ZHZPEQWZDWJUSW-WOSRLPQWSA-N 1 0 389.437 4.148 20 0 GIADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccc(OCc2ccncc2)cc1 ZINC000570617045 823062901 /nfs/dbraw/zinc/06/29/01/823062901.db2.gz TVBIZVVRNMKTCF-UHFFFAOYSA-N 1 0 393.531 4.188 20 0 GIADRO CC(C)Oc1cccc([C@H](NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C(F)F)c1 ZINC000570623598 823063627 /nfs/dbraw/zinc/06/36/27/823063627.db2.gz YCAMHNFMEGZLDJ-HBMCJLEFSA-N 1 0 396.522 4.138 20 0 GIADRO O=C(CC[NH2+]C1CC[NH+](C2CCC2)CC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000570626330 823064108 /nfs/dbraw/zinc/06/41/08/823064108.db2.gz HUUPABUAUBDUOW-UHFFFAOYSA-N 1 0 393.531 4.414 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(-c3ccccc3)nn2C(C)C)[C@H](C)C1 ZINC000120789281 823064566 /nfs/dbraw/zinc/06/45/66/823064566.db2.gz JVPOZHQPODJTRW-YLJYHZDGSA-N 1 0 383.540 4.325 20 0 GIADRO CCN(CC)C(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2cccc(C)c2)cc1 ZINC000055910857 823066076 /nfs/dbraw/zinc/06/60/76/823066076.db2.gz OSUGPBGCNFFYEQ-QFIPXVFZSA-N 1 0 393.531 4.253 20 0 GIADRO CC(C)CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)c1ccccc1 ZINC000570645073 823066111 /nfs/dbraw/zinc/06/61/11/823066111.db2.gz CLPODVRHEAEQTD-WVUPVLJSSA-N 1 0 385.596 4.227 20 0 GIADRO CC(=O)Nc1ccc2c(C[N@@H+]3CCC[C@H]3c3cccc(C)c3)cc(=O)oc2c1 ZINC000055910932 823066125 /nfs/dbraw/zinc/06/61/25/823066125.db2.gz NWOXQNFOLCEJHA-NRFANRHFSA-N 1 0 376.456 4.397 20 0 GIADRO COc1cc(C)c(C[N@H+](C)CCCC(=O)Nc2ccccc2C(C)=O)cc1OC ZINC000570651256 823067217 /nfs/dbraw/zinc/06/72/17/823067217.db2.gz ZMVSZHONGIYIQN-UHFFFAOYSA-N 1 0 398.503 4.066 20 0 GIADRO C/C(=C\C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccc(F)cc1 ZINC000175900514 823067381 /nfs/dbraw/zinc/06/73/81/823067381.db2.gz MZUPCFFKHVLMAW-GHRIWEEISA-N 1 0 382.479 4.072 20 0 GIADRO O=C(C[C@@H]1CCCc2ccccc21)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000175900591 823067409 /nfs/dbraw/zinc/06/74/09/823067409.db2.gz HMWSBFAQVYUOEZ-QFIPXVFZSA-N 1 0 392.543 4.340 20 0 GIADRO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000055935986 823068197 /nfs/dbraw/zinc/06/81/97/823068197.db2.gz VQFZHIJPGLKWRU-CQSZACIVSA-N 1 0 386.367 4.374 20 0 GIADRO C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000055936285 823068225 /nfs/dbraw/zinc/06/82/25/823068225.db2.gz BYKYFKIFCBWNMQ-AWEZNQCLSA-N 1 0 386.367 4.374 20 0 GIADRO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000055933017 823068283 /nfs/dbraw/zinc/06/82/83/823068283.db2.gz HICMFUXOHZSBSG-GFCCVEGCSA-N 1 0 379.863 4.047 20 0 GIADRO C[C@H](NC(=O)N1CC(c2ccc(Cl)cc2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000458641874 823068525 /nfs/dbraw/zinc/06/85/25/823068525.db2.gz WCLUSUFFOJALOZ-RDJZCZTQSA-N 1 0 375.944 4.102 20 0 GIADRO CCc1nn(C)c(OC)c1C[NH2+][C@H](C)c1sc(-c2ccccc2F)nc1C ZINC000120813243 823069153 /nfs/dbraw/zinc/06/91/53/823069153.db2.gz HGKPPGLDQWZTQO-GFCCVEGCSA-N 1 0 388.512 4.413 20 0 GIADRO O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@H]2CCC[C@H]21 ZINC000175906964 823069296 /nfs/dbraw/zinc/06/92/96/823069296.db2.gz AIPYUQPLWFIFRT-FYYLOGMGSA-N 1 0 399.579 4.032 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1c(F)cc(Br)cc1F ZINC000120815470 823069691 /nfs/dbraw/zinc/06/96/91/823069691.db2.gz PRYPBAIIUAHPEG-LBPRGKRZSA-N 1 0 389.284 4.112 20 0 GIADRO CNC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(OCCC(C)C)c(OC)c2)cc1 ZINC000120815557 823070042 /nfs/dbraw/zinc/07/00/42/823070042.db2.gz PIWKLXLUMLWPHT-KRWDZBQOSA-N 1 0 384.520 4.331 20 0 GIADRO [NH3+][C@@H](CCC(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1)c1ccccc1 ZINC000570675023 823070673 /nfs/dbraw/zinc/07/06/73/823070673.db2.gz FRTMIHWZYGLFKM-CABCVRRESA-N 1 0 397.466 4.348 20 0 GIADRO O=C(Nc1ccccc1)C1CC[NH+](Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000120818811 823070715 /nfs/dbraw/zinc/07/07/15/823070715.db2.gz AZZMBHTYOSJHJV-UHFFFAOYSA-N 1 0 378.451 4.067 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@H](c2ccc(F)cc2F)C(C)C)ccc1S(C)(=O)=O ZINC000120826392 823072281 /nfs/dbraw/zinc/07/22/81/823072281.db2.gz SZVHQPOAIFPXEV-RBZFPXEDSA-N 1 0 397.487 4.425 20 0 GIADRO OC[C@H](C[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1)c1ccccc1Cl ZINC000570682034 823071749 /nfs/dbraw/zinc/07/17/49/823071749.db2.gz ORUJEVLJLBSLED-PMACEKPBSA-N 1 0 384.951 4.203 20 0 GIADRO 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 823072581 /nfs/dbraw/zinc/07/25/81/823072581.db2.gz YRNPGODZYCVYAC-LERXQTSPSA-N 1 0 378.385 4.051 20 0 GIADRO C[NH+](C)CCc1ccc(CNC(=O)N2CCC[C@@H]2c2ccc(F)cc2F)cc1 ZINC000458677130 823073073 /nfs/dbraw/zinc/07/30/73/823073073.db2.gz CLPMLIWMRAPLTP-OAQYLSRUSA-N 1 0 387.474 4.116 20 0 GIADRO Cc1ccc(C[NH2+]Cc2ccnc(OC3CCCC3)c2)c(-c2ccnn2C)c1 ZINC000570699679 823073193 /nfs/dbraw/zinc/07/31/93/823073193.db2.gz OYPLZVMRAWOSDA-UHFFFAOYSA-N 1 0 376.504 4.402 20 0 GIADRO C[C@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(OCC(F)(F)F)cc1 ZINC000175922428 823073540 /nfs/dbraw/zinc/07/35/40/823073540.db2.gz WMJICIAQZIPVBU-LNRIEFBSSA-N 1 0 399.457 4.003 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCCc1cc2ccccc2o1 ZINC000120832934 823073546 /nfs/dbraw/zinc/07/35/46/823073546.db2.gz NQDYDBMYJVJGHH-UHFFFAOYSA-N 1 0 379.504 4.269 20 0 GIADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)[C@@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000120836626 823073784 /nfs/dbraw/zinc/07/37/84/823073784.db2.gz XRXHHFYBIZVRHY-WJXFIBLPSA-N 1 0 392.543 4.168 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)cc1 ZINC000175936906 823076891 /nfs/dbraw/zinc/07/68/91/823076891.db2.gz CJIGAZNCCXOMNC-UHFFFAOYSA-N 1 0 389.499 4.018 20 0 GIADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Nc1ccccc1-n1cccn1 ZINC000175924114 823074155 /nfs/dbraw/zinc/07/41/55/823074155.db2.gz WEVQBKLHFSFUFY-UHFFFAOYSA-N 1 0 397.445 4.000 20 0 GIADRO CCN(CC)[C@@H](C[NH2+]Cc1c[nH]nc1-c1cccnc1)c1ccccc1Cl ZINC000120839199 823074367 /nfs/dbraw/zinc/07/43/67/823074367.db2.gz AFXLEMDZQPWBHV-FQEVSTJZSA-N 1 0 383.927 4.298 20 0 GIADRO C[C@@H](Oc1ccc(C(=O)N2CCC([NH2+]CC3CC3)CC2)cc1)c1ccccc1 ZINC000570716972 823075131 /nfs/dbraw/zinc/07/51/31/823075131.db2.gz JXJAKMGUHCSMOP-GOSISDBHSA-N 1 0 378.516 4.431 20 0 GIADRO CCO[C@H]1C[C@@]([NH3+])(C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)C1(C)C ZINC000187497564 823075348 /nfs/dbraw/zinc/07/53/48/823075348.db2.gz HJBQPDOOEONPDS-FXAWDEMLSA-N 1 0 380.916 4.132 20 0 GIADRO C[C@H](CC1CCCCC1)NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458717457 823077765 /nfs/dbraw/zinc/07/77/65/823077765.db2.gz KOHMNDWONBTOKT-OAHLLOKOSA-N 1 0 377.495 4.404 20 0 GIADRO CC(C)[C@@H]1CN(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)[C@@H]1C(C)C ZINC000458721903 823078331 /nfs/dbraw/zinc/07/83/31/823078331.db2.gz ADHBICFBNJHBMN-ZGUYJTEBSA-N 1 0 389.506 4.114 20 0 GIADRO Cc1cccnc1[C@H]([NH2+][C@@H](C)C(=O)Nc1nc2ccc(F)cc2s1)C(C)C ZINC000120881520 823081557 /nfs/dbraw/zinc/08/15/57/823081557.db2.gz WKYATRVELXHDFR-SUMWQHHRSA-N 1 0 386.496 4.453 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000458736636 823079721 /nfs/dbraw/zinc/07/97/21/823079721.db2.gz PHVJWTUYUVOIHM-JCNLHEQBSA-N 1 0 385.474 4.371 20 0 GIADRO O=C(CCSc1ccnc2cc(Cl)ccc21)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000175955384 823081732 /nfs/dbraw/zinc/08/17/32/823081732.db2.gz CLYLWWMFHBCAJC-MRXNPFEDSA-N 1 0 389.952 4.067 20 0 GIADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Nc1cc(F)c(OC)c(F)c1 ZINC000175956685 823081948 /nfs/dbraw/zinc/08/19/48/823081948.db2.gz MYGKXNOYXVYUQR-UHFFFAOYSA-N 1 0 397.388 4.102 20 0 GIADRO CC(C)n1ncc2cc(C(=O)Nc3ccc(CC[NH+]4CCCCC4)cc3)cnc21 ZINC000056042282 823081277 /nfs/dbraw/zinc/08/12/77/823081277.db2.gz IFSQWBGSDVILQJ-UHFFFAOYSA-N 1 0 391.519 4.293 20 0 GIADRO Cc1cc(C)c(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1Br ZINC000187528373 823082326 /nfs/dbraw/zinc/08/23/26/823082326.db2.gz AMCVBTKASZGFLM-PBHICJAKSA-N 1 0 380.330 4.014 20 0 GIADRO O=C(c1ccc(C[N@@H+]2CC[C@H](OCCCc3ccccc3)C2)cc1)N1CCCC1 ZINC000175960593 823082763 /nfs/dbraw/zinc/08/27/63/823082763.db2.gz RCBJLUGPTUSJTA-DEOSSOPVSA-N 1 0 392.543 4.146 20 0 GIADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NCc2cnc(-c3ccc(Cl)cc3)s2)C1 ZINC000458767365 823083150 /nfs/dbraw/zinc/08/31/50/823083150.db2.gz QGPCBBYINXCCQQ-INIZCTEOSA-N 1 0 392.956 4.088 20 0 GIADRO Cc1ccc(C[NH+]2CCC(c3nnc4ccccn43)CC2)c(Br)c1 ZINC000120918127 823086754 /nfs/dbraw/zinc/08/67/54/823086754.db2.gz WVCYJTFETHOKHK-UHFFFAOYSA-N 1 0 385.309 4.180 20 0 GIADRO Clc1ccc([C@@H]2CCC[C@@H]([NH2+]Cc3cn(Cc4cccnc4)nn3)C2)cc1 ZINC000570770825 823084531 /nfs/dbraw/zinc/08/45/31/823084531.db2.gz ZMKZKCSBQIVKNH-UYAOXDASSA-N 1 0 381.911 4.191 20 0 GIADRO CC[C@H](C)[NH2+][C@H](CNC(=O)N1CC(c2ccc(Cl)cc2)C1)c1ccco1 ZINC000458780496 823084572 /nfs/dbraw/zinc/08/45/72/823084572.db2.gz VGOAFNKJZOYTDE-KBXCAEBGSA-N 1 0 375.900 4.171 20 0 GIADRO CC(C)[C@@H]1C[C@@H]1C(=O)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000187536919 823084647 /nfs/dbraw/zinc/08/46/47/823084647.db2.gz BVAFFESJQNROAV-QYZOEREBSA-N 1 0 382.470 4.192 20 0 GIADRO C/C(=C\c1ccc(F)cc1)C(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000175969669 823084625 /nfs/dbraw/zinc/08/46/25/823084625.db2.gz VMNSMIPZVAOJEV-RLHAVTDZSA-N 1 0 394.490 4.333 20 0 GIADRO C[C@H](NC(=O)NC(C)(C)C[NH+]1CCCC1)c1ccc(Oc2cccnc2)cc1 ZINC000458784121 823085044 /nfs/dbraw/zinc/08/50/44/823085044.db2.gz XASCPIKXHLDMGN-KRWDZBQOSA-N 1 0 382.508 4.109 20 0 GIADRO CCSc1cccc(CNC(=O)N(CC[NH+](C)C)Cc2ccsc2)c1 ZINC000458786375 823085693 /nfs/dbraw/zinc/08/56/93/823085693.db2.gz BGLJKWCUNUAVLQ-UHFFFAOYSA-N 1 0 377.579 4.134 20 0 GIADRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)N[C@H](c1ccco1)c1ccccc1 ZINC000120915679 823086253 /nfs/dbraw/zinc/08/62/53/823086253.db2.gz ICEBCOZUVTUPDX-QFIPXVFZSA-N 1 0 395.478 4.282 20 0 GIADRO C[C@@H](NC(=O)[C@H](C)[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)c1ccc2ccccc2c1 ZINC000570782118 823086593 /nfs/dbraw/zinc/08/65/93/823086593.db2.gz KREMHEDVZVDIER-KZYCEEORSA-N 1 0 380.532 4.199 20 0 GIADRO C[C@@H]([NH2+]C[C@@](C)(O)c1cccc(Cl)c1)c1ncc(Br)cc1F ZINC000187554085 823087544 /nfs/dbraw/zinc/08/75/44/823087544.db2.gz NUNLEFKSEYRFOG-QLJPJBMISA-N 1 0 387.680 4.195 20 0 GIADRO CCOC(=O)N1CCC([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc3ccccc3c2)CC1 ZINC000187564975 823089050 /nfs/dbraw/zinc/08/90/50/823089050.db2.gz GYAOOZJBSSVYSF-IRXDYDNUSA-N 1 0 397.519 4.013 20 0 GIADRO CC(C)CCNC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000056153076 823089718 /nfs/dbraw/zinc/08/97/18/823089718.db2.gz CTACSVGWRONMHF-MSOLQXFVSA-N 1 0 381.520 4.140 20 0 GIADRO CCC(CC)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000056153077 823089759 /nfs/dbraw/zinc/08/97/59/823089759.db2.gz ORBYQFOGWILIMG-DLBZAZTESA-N 1 0 381.520 4.283 20 0 GIADRO CCC(CC)NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000056153079 823089878 /nfs/dbraw/zinc/08/98/78/823089878.db2.gz ORBYQFOGWILIMG-IAGOWNOFSA-N 1 0 381.520 4.283 20 0 GIADRO COc1cc(CN[C@H](C)C[NH+]2CCCCCC2)ccc1OCc1ccncc1 ZINC000187568832 823090114 /nfs/dbraw/zinc/09/01/14/823090114.db2.gz FLRVBWHDXFEMIJ-LJQANCHMSA-N 1 0 383.536 4.023 20 0 GIADRO COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+]Cc1cnc(-c2ccccc2)[nH]1 ZINC000176001655 823092445 /nfs/dbraw/zinc/09/24/45/823092445.db2.gz KUQHOBHIIDAFER-UHFFFAOYSA-N 1 0 398.894 4.166 20 0 GIADRO COc1ccc2ccccc2c1-c1cc(C[N@@H+]2CC[C@@H](c3nccn3C)C2)on1 ZINC000570812847 823090618 /nfs/dbraw/zinc/09/06/18/823090618.db2.gz KKDGWFYCKSIBEB-QGZVFWFLSA-N 1 0 388.471 4.226 20 0 GIADRO CN(C(=O)N[C@H]1C[C@H](c2ccc(F)cc2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000458815685 823090752 /nfs/dbraw/zinc/09/07/52/823090752.db2.gz LXRPLMIPEWIQQV-AQYVVDRMSA-N 1 0 395.522 4.378 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[C@H](c2ccccc2)C(F)(F)F)[C@H](C)C1 ZINC000458816154 823090962 /nfs/dbraw/zinc/09/09/62/823090962.db2.gz IMKPREYVMBMTKT-NXHRZFHOSA-N 1 0 385.474 4.094 20 0 GIADRO CN(C)c1ccc(NC(=O)N(CC[NH+](C)C)Cc2cccs2)cc1Cl ZINC000175996270 823091521 /nfs/dbraw/zinc/09/15/21/823091521.db2.gz RBQSMEGXJXESRR-UHFFFAOYSA-N 1 0 380.945 4.063 20 0 GIADRO CN(C(=O)c1ccncc1)c1ccc(C[NH2+]Cc2cnc(-c3ccccc3)[nH]2)cc1 ZINC000175997076 823091547 /nfs/dbraw/zinc/09/15/47/823091547.db2.gz MLXXQNYBPQTMRJ-UHFFFAOYSA-N 1 0 397.482 4.038 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cccc(OC(C)C)c2)c1 ZINC000056156806 823091745 /nfs/dbraw/zinc/09/17/45/823091745.db2.gz XIQBVWQUVBGZAL-HZPDHXFCSA-N 1 0 383.492 4.110 20 0 GIADRO COc1ccc(OC)c(NC(=O)[C@H](C)[NH2+][C@H](C)c2cccc(OC(C)C)c2)c1 ZINC000056156954 823091809 /nfs/dbraw/zinc/09/18/09/823091809.db2.gz HYXZPWOGDJKHPX-CVEARBPZSA-N 1 0 386.492 4.169 20 0 GIADRO CCCOc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2c(F)cccc2F)cc1OC ZINC000056161845 823092728 /nfs/dbraw/zinc/09/27/28/823092728.db2.gz SHPZUFHDDYXSEL-ZIAGYGMSSA-N 1 0 392.446 4.440 20 0 GIADRO CCCOc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(N(C)C)cc2)cc1OC ZINC000056161831 823092806 /nfs/dbraw/zinc/09/28/06/823092806.db2.gz GPBCQFMCWUWCPG-IAGOWNOFSA-N 1 0 399.535 4.228 20 0 GIADRO CC[C@@]1(CO)CCC[N@@H+]([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000187584208 823093010 /nfs/dbraw/zinc/09/30/10/823093010.db2.gz ACAGHURIASXPOU-NZQKXSOJSA-N 1 0 377.488 4.311 20 0 GIADRO CCOc1cccc([C@@H](C)NC(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)c1 ZINC000570833750 823093377 /nfs/dbraw/zinc/09/33/77/823093377.db2.gz CTGNCUGIYOTPIH-KBRIMQKVSA-N 1 0 386.458 4.171 20 0 GIADRO O=C(CC[NH2+][C@H]1CCO[C@H](C2CC2)C1)Nc1ccc(Oc2ccccc2)cc1 ZINC000570836191 823093474 /nfs/dbraw/zinc/09/34/74/823093474.db2.gz CJEITAZBDDIZMK-UGKGYDQZSA-N 1 0 380.488 4.355 20 0 GIADRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(OC(C)C)cc2)cc1OC ZINC000056163546 823093719 /nfs/dbraw/zinc/09/37/19/823093719.db2.gz RIHZGRVGBXMVLX-HZPDHXFCSA-N 1 0 386.492 4.169 20 0 GIADRO O=C(NCc1ccccc1)C1CC[NH+](Cc2ccccc2OCC2CC2)CC1 ZINC000120963571 823093919 /nfs/dbraw/zinc/09/39/19/823093919.db2.gz WMOBPNLRBMSGFJ-UHFFFAOYSA-N 1 0 378.516 4.004 20 0 GIADRO CCc1ccc(NC(=O)[C@@H](C)Nc2ccc(N3CC[NH+](CC)CC3)cc2C)cc1 ZINC000056170176 823094678 /nfs/dbraw/zinc/09/46/78/823094678.db2.gz WZXNXFOZWLLKRZ-LJQANCHMSA-N 1 0 394.563 4.138 20 0 GIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccc(Br)s2)C1 ZINC000056168323 823094867 /nfs/dbraw/zinc/09/48/67/823094867.db2.gz NHWIQPVEFAPLHN-JSGCOSHPSA-N 1 0 379.323 4.076 20 0 GIADRO C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000176021276 823097885 /nfs/dbraw/zinc/09/78/85/823097885.db2.gz NQCGONLMFNNPKV-INIZCTEOSA-N 1 0 377.960 4.319 20 0 GIADRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)C/C=C/c1ccc(F)cc1)c1ccccc1O2 ZINC000176011856 823095541 /nfs/dbraw/zinc/09/55/41/823095541.db2.gz ZJYABSPWMBBQCU-FNEOHHHZSA-N 1 0 394.490 4.333 20 0 GIADRO CC[C@@H](C)[NH2+][C@H](CNC(=O)c1cc2ccc(OC)cc2nc1C)c1ccco1 ZINC000570855682 823096326 /nfs/dbraw/zinc/09/63/26/823096326.db2.gz XXMBFONBKRQKJZ-JLTOFOAXSA-N 1 0 381.476 4.004 20 0 GIADRO COc1cccc(F)c1[C@@H](C)NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000176016570 823096587 /nfs/dbraw/zinc/09/65/87/823096587.db2.gz JIFAQVIWHATFFH-QGZVFWFLSA-N 1 0 399.510 4.201 20 0 GIADRO CN1CC[C@H]([NH2+]Cc2nc3ccc(F)cc3o2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000570857140 823096725 /nfs/dbraw/zinc/09/67/25/823096725.db2.gz CJSIGFMIUJVXSV-QFBILLFUSA-N 1 0 377.822 4.294 20 0 GIADRO C[NH+](C)CCC1CCN(C(=O)NCC[C@@H](c2ccccc2)C(F)(F)F)CC1 ZINC000458854544 823098161 /nfs/dbraw/zinc/09/81/61/823098161.db2.gz XOBGFWBXSGTJSL-SFHVURJKSA-N 1 0 385.474 4.096 20 0 GIADRO CCC(CC)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000056207103 823103211 /nfs/dbraw/zinc/10/32/11/823103211.db2.gz UUHWUTYFRWQFEO-HOTGVXAUSA-N 1 0 399.510 4.422 20 0 GIADRO CCO[C@@H]1C[C@]([NH3+])(C(=O)N[C@@H](C)c2ccc(Oc3ccccc3)cc2)C1(C)C ZINC000187617475 823098557 /nfs/dbraw/zinc/09/85/57/823098557.db2.gz VUDCXDVVJXICLZ-YBVWCTEOSA-N 1 0 382.504 4.189 20 0 GIADRO O=C(N[C@H]1C[C@H](c2ccccc2Cl)C1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000458867330 823099351 /nfs/dbraw/zinc/09/93/51/823099351.db2.gz QAIKFARSWQTHLF-IYARVYRRSA-N 1 0 375.944 4.103 20 0 GIADRO C[C@@H](NC(=O)NC(C)(C)CCC[NH+](C)C)c1ccc(F)c(Br)c1 ZINC000458870482 823099503 /nfs/dbraw/zinc/09/95/03/823099503.db2.gz DMZOILZZFDGFIW-GFCCVEGCSA-N 1 0 388.325 4.069 20 0 GIADRO Cc1cccnc1[C@@H]([NH2+]C[C@@H](O)COc1cccc(C(F)(F)F)c1)C(C)C ZINC000120996671 823099591 /nfs/dbraw/zinc/09/95/91/823099591.db2.gz VYCPLMMUSILGHQ-AEFFLSMTSA-N 1 0 382.426 4.135 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000120998493 823099875 /nfs/dbraw/zinc/09/98/75/823099875.db2.gz JUKJUUMCNWGUNV-QGZVFWFLSA-N 1 0 396.922 4.486 20 0 GIADRO CN(CC[N@H+](C)C1CC1)C(=O)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F ZINC000187625953 823100232 /nfs/dbraw/zinc/10/02/32/823100232.db2.gz FIMJYZNMJPKCRB-CQSZACIVSA-N 1 0 397.363 4.044 20 0 GIADRO CCN(C(=O)NC[C@H](c1ccc(SC)cc1)[NH+](C)C)[C@H](C)c1cccnc1 ZINC000458877106 823100433 /nfs/dbraw/zinc/10/04/33/823100433.db2.gz AUCNVJAOIBJISH-OXQOHEQNSA-N 1 0 386.565 4.199 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000056196022 823100478 /nfs/dbraw/zinc/10/04/78/823100478.db2.gz JSHDWRTWCNHDGO-IRXDYDNUSA-N 1 0 396.491 4.263 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(N2CCCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000056196023 823100529 /nfs/dbraw/zinc/10/05/29/823100529.db2.gz JSHDWRTWCNHDGO-SJORKVTESA-N 1 0 396.491 4.263 20 0 GIADRO CC[C@@H](C)[NH2+][C@H](CNC(=O)c1sc(-c2ccc(C)o2)nc1C)c1ccco1 ZINC000570879399 823100791 /nfs/dbraw/zinc/10/07/91/823100791.db2.gz POJDERJCLIULKK-IUODEOHRSA-N 1 0 387.505 4.472 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCCCC(C)(F)F ZINC000458880780 823101061 /nfs/dbraw/zinc/10/10/61/823101061.db2.gz ARCVXAMMNDAXSR-UHFFFAOYSA-N 1 0 395.416 4.214 20 0 GIADRO CC(C)[C@H](C(=O)NC1CC[NH+](Cc2ccccn2)CC1)c1cccc(Cl)c1 ZINC000176033702 823101379 /nfs/dbraw/zinc/10/13/79/823101379.db2.gz XIDBFQUVGIIEOP-NRFANRHFSA-N 1 0 385.939 4.255 20 0 GIADRO O=C(NC1CC[NH+](C2CCCC2)CC1)N1CC[C@H](CSc2ccccc2)C1 ZINC000176033847 823101680 /nfs/dbraw/zinc/10/16/80/823101680.db2.gz LQKSBTBYOVOPAB-SFHVURJKSA-N 1 0 387.593 4.217 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1cccc(OCc2ccccn2)c1)C(=O)Nc1cccc(F)c1 ZINC000056201322 823101896 /nfs/dbraw/zinc/10/18/96/823101896.db2.gz BLQPTDDLACKDGK-IAGOWNOFSA-N 1 0 393.462 4.478 20 0 GIADRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCc2ccccc2-c2ccc(Cl)cc2)C1(C)C ZINC000187632344 823102173 /nfs/dbraw/zinc/10/21/73/823102173.db2.gz YBZSXRACCRBVOB-DENIHFKCSA-N 1 0 386.923 4.156 20 0 GIADRO CC[C@]1(CO)CCC[N@@H+]([C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)C1 ZINC000187640846 823103281 /nfs/dbraw/zinc/10/32/81/823103281.db2.gz VQBFBYRYMGLPOR-UPVQGACJSA-N 1 0 380.532 4.468 20 0 GIADRO C[C@@H](NC(=O)COC1CCC([NH3+])CC1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000570925722 823108336 /nfs/dbraw/zinc/10/83/36/823108336.db2.gz GPOWKMWWTSNBLT-FAEJEUNOSA-N 1 0 386.467 4.082 20 0 GIADRO CSc1ccc([C@@H](CNC(=O)N2CC(C)(C)[C@H]2c2cccnc2)[NH+](C)C)cc1 ZINC000458897962 823103619 /nfs/dbraw/zinc/10/36/19/823103619.db2.gz PMTVGIDJMLYPGE-WOJBJXKFSA-N 1 0 398.576 4.199 20 0 GIADRO CSc1ccc([C@H](CNC(=O)N2CC(C)(C)[C@H]2c2ccncc2)[NH+](C)C)cc1 ZINC000458901458 823103918 /nfs/dbraw/zinc/10/39/18/823103918.db2.gz RWTDROSIAAPIMN-VQTJNVASSA-N 1 0 398.576 4.199 20 0 GIADRO C[N@@H+]1CC[C@H](CSc2nnc(Cc3cccs3)n2CCc2ccccc2)C1 ZINC000187649475 823104885 /nfs/dbraw/zinc/10/48/85/823104885.db2.gz JNHBHRDOGHHHAD-SFHVURJKSA-N 1 0 398.601 4.217 20 0 GIADRO Cc1cccnc1[C@H]([NH2+]Cc1cccc(C(=O)NCc2ccco2)c1)C(C)C ZINC000121026828 823105356 /nfs/dbraw/zinc/10/53/56/823105356.db2.gz XLKGMJLVYCKVCM-OAQYLSRUSA-N 1 0 377.488 4.400 20 0 GIADRO COc1cc(C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)ccc1OC(C)C ZINC000121029428 823105566 /nfs/dbraw/zinc/10/55/66/823105566.db2.gz FUCPMJFNPNYLLJ-UHFFFAOYSA-N 1 0 388.552 4.097 20 0 GIADRO Cc1sc(NC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])nc1-c1c[nH]c2ncccc12 ZINC000570919806 823107848 /nfs/dbraw/zinc/10/78/48/823107848.db2.gz JLPZGYUXVHQJFX-GDBMZVCRSA-N 1 0 383.521 4.231 20 0 GIADRO COc1cccc([C@H](C)CC(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)c1 ZINC000121045537 823108166 /nfs/dbraw/zinc/10/81/66/823108166.db2.gz YZMCSIMJBAITJB-GOSISDBHSA-N 1 0 396.531 4.032 20 0 GIADRO COCC1(C(=O)NCc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)CCC1 ZINC000570948400 823110930 /nfs/dbraw/zinc/11/09/30/823110930.db2.gz FEBBQEPWNRWFKW-UHFFFAOYSA-N 1 0 392.543 4.382 20 0 GIADRO O=C(Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000570950966 823111333 /nfs/dbraw/zinc/11/13/33/823111333.db2.gz PCRZUKSAJAZEDQ-TUACAJSNSA-N 1 0 386.495 4.149 20 0 GIADRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2[nH]c3ccc(Cl)cc3c2Cl)C[C@@H](C)C1 ZINC000570954506 823111815 /nfs/dbraw/zinc/11/18/15/823111815.db2.gz OSXXKFZQPHRPOY-HWWQOWPSSA-N 1 0 380.319 4.277 20 0 GIADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@@H](c2ccc(F)c(Cl)c2)C2CC2)C1 ZINC000458976041 823112262 /nfs/dbraw/zinc/11/22/62/823112262.db2.gz BDJRLLBLNIQOID-MGPUTAFESA-N 1 0 393.934 4.304 20 0 GIADRO Cc1nccn1C[C@H](C)CNC(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1 ZINC000176070574 823112283 /nfs/dbraw/zinc/11/22/83/823112283.db2.gz ZVKUDOQIPAWQCP-CYBMUJFWSA-N 1 0 380.319 4.373 20 0 GIADRO C[C@@H](c1cccc(O)c1)N(C)C(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000458981336 823112869 /nfs/dbraw/zinc/11/28/69/823112869.db2.gz UCHVZCLPLCTCGK-SFHVURJKSA-N 1 0 381.520 4.149 20 0 GIADRO CCC[NH2+][C@H](C)C(=O)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 ZINC000570967872 823112908 /nfs/dbraw/zinc/11/29/08/823112908.db2.gz XMXPKOWJCUOLFO-CQSZACIVSA-N 1 0 380.319 4.305 20 0 GIADRO C[C@H]1CN(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CCC1(F)F ZINC000570974854 823114136 /nfs/dbraw/zinc/11/41/36/823114136.db2.gz BABTWCBLDFDEDM-INIZCTEOSA-N 1 0 381.467 4.060 20 0 GIADRO CN(c1ccc(NC(=O)C/C=C/c2cccc(F)c2)cc1)C1CC[NH+](C)CC1 ZINC000176076695 823113646 /nfs/dbraw/zinc/11/36/46/823113646.db2.gz KHPIGJFOWDXPAZ-GQCTYLIASA-N 1 0 381.495 4.398 20 0 GIADRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)c1coc(C[NH3+])c1 ZINC000187715655 823119217 /nfs/dbraw/zinc/11/92/17/823119217.db2.gz ZRCOXWJDCCYNFH-JTQLQIEISA-N 1 0 375.881 4.315 20 0 GIADRO COc1ccc([C@@H](CN[C@@H](c2ncc[nH]2)c2ccc(F)cc2)[NH+]2CCCC2)cc1 ZINC000187696283 823115063 /nfs/dbraw/zinc/11/50/63/823115063.db2.gz LEOUQCPTYUMLBS-FGZHOGPDSA-N 1 0 394.494 4.074 20 0 GIADRO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@@H](c1cccs1)N(C)C ZINC000121086894 823115684 /nfs/dbraw/zinc/11/56/84/823115684.db2.gz DSAQMGLAGMHRTM-CJNGLKHVSA-N 1 0 399.482 4.377 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+][C@@H](C)C(=O)N1Cc2ccccc2C1 ZINC000570992192 823116520 /nfs/dbraw/zinc/11/65/20/823116520.db2.gz SGLQWQRZATUBCN-HOCLYGCPSA-N 1 0 392.528 4.095 20 0 GIADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)Nc2cc(-c3ccccc3)on2)CC1 ZINC000121104019 823119414 /nfs/dbraw/zinc/11/94/14/823119414.db2.gz JNLCLTAWRLHXTP-MRXNPFEDSA-N 1 0 391.475 4.084 20 0 GIADRO CCCN(CCC)C(=O)c1ccc(NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1 ZINC000121099063 823118250 /nfs/dbraw/zinc/11/82/50/823118250.db2.gz GQRHKNQKVARTEO-KRWDZBQOSA-N 1 0 390.572 4.047 20 0 GIADRO CCC(CC)c1cc(C[NH2+][C@H](C)CC(=O)Nc2cc(OC)ccc2OC)on1 ZINC000121099753 823118482 /nfs/dbraw/zinc/11/84/82/823118482.db2.gz JDWJATJIJPCUJX-CQSZACIVSA-N 1 0 389.496 4.102 20 0 GIADRO O=C(NC[C@H]1CC[C@@H](c2ccccc2)O1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000571012767 823120168 /nfs/dbraw/zinc/12/01/68/823120168.db2.gz AYGRZSMHVQWENA-PKTZIBPZSA-N 1 0 399.579 4.204 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)Cc2cccc(C(F)(F)F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000176102619 823121068 /nfs/dbraw/zinc/12/10/68/823121068.db2.gz SIWXLBIOOGAQSZ-OXQOHEQNSA-N 1 0 390.449 4.417 20 0 GIADRO COc1ccc(SCCC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000176103093 823121343 /nfs/dbraw/zinc/12/13/43/823121343.db2.gz RGUAHUKSPLEDNJ-QUCCMNQESA-N 1 0 398.572 4.347 20 0 GIADRO COc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)ccc1OC(C)C ZINC000176103520 823121634 /nfs/dbraw/zinc/12/16/34/823121634.db2.gz GCBFQXVKASIRBO-GHTZIAJQSA-N 1 0 396.531 4.265 20 0 GIADRO COc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)ccc1OC(C)C ZINC000176103534 823121720 /nfs/dbraw/zinc/12/17/20/823121720.db2.gz GCBFQXVKASIRBO-NQIIRXRSSA-N 1 0 396.531 4.265 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)c1ccc(Br)cc1F ZINC000187734641 823121977 /nfs/dbraw/zinc/12/19/77/823121977.db2.gz YARWUVJKCLHBLY-ZDUSSCGKSA-N 1 0 389.272 4.079 20 0 GIADRO C[C@H]1C[C@@H](NC(=O)c2cc(F)c(F)cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000176112957 823124508 /nfs/dbraw/zinc/12/45/08/823124508.db2.gz AVJSONFVCSRHMJ-ZFWWWQNUSA-N 1 0 378.850 4.401 20 0 GIADRO C[C@@H]([NH3+])c1ccc(CNC(=O)Nc2ccc(Br)c(C3CC3)n2)cc1 ZINC000571027579 823122225 /nfs/dbraw/zinc/12/22/25/823122225.db2.gz HSJBIRCXXFAIEC-LLVKDONJSA-N 1 0 389.297 4.063 20 0 GIADRO Brc1ccc2c(c1)CCCC[C@H]2[NH2+]CCc1cn2c(n1)SCC2 ZINC000571028463 823122247 /nfs/dbraw/zinc/12/22/47/823122247.db2.gz USKXVTXCUQZHMN-QGZVFWFLSA-N 1 0 392.366 4.351 20 0 GIADRO COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1OCCC(C)C ZINC000571028925 823122259 /nfs/dbraw/zinc/12/22/59/823122259.db2.gz LVLUXXXGMWIWEW-VQIMIIECSA-N 1 0 389.458 4.255 20 0 GIADRO O=C(Cc1noc2ccc(F)cc12)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000571029184 823122341 /nfs/dbraw/zinc/12/23/41/823122341.db2.gz RTJLEJXEVNRNET-UHFFFAOYSA-N 1 0 395.478 4.202 20 0 GIADRO CCN(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000459070433 823123625 /nfs/dbraw/zinc/12/36/25/823123625.db2.gz YBFSIOLNULCJRF-VTHDOGFWSA-N 1 0 375.532 4.050 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+]CC1=CCN(C(=O)OC(C)(C)C)CC1)CCCO2 ZINC000187744651 823123978 /nfs/dbraw/zinc/12/39/78/823123978.db2.gz XLAIHTVXVZLJST-LJQANCHMSA-N 1 0 388.508 4.066 20 0 GIADRO Cc1coc(-c2ccc(C)c(NC(=O)N[C@@H]3CC[N@H+](CC4CCCC4)C3)c2)n1 ZINC000121134693 823124228 /nfs/dbraw/zinc/12/42/28/823124228.db2.gz LETZGCCDTHMSAN-LJQANCHMSA-N 1 0 382.508 4.344 20 0 GIADRO Cc1cc(C[NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)ccc1-c1ccccc1 ZINC000187750458 823125149 /nfs/dbraw/zinc/12/51/49/823125149.db2.gz HKZODFNLHHERGT-QGZVFWFLSA-N 1 0 380.513 4.160 20 0 GIADRO CCN(C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H](C)Cc1ccsc1 ZINC000187753327 823125871 /nfs/dbraw/zinc/12/58/71/823125871.db2.gz YWCBUIJWYWKJIK-KRWDZBQOSA-N 1 0 386.565 4.022 20 0 GIADRO CCN(C(=O)NCc1cnc(C)cc1C)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000459090434 823126445 /nfs/dbraw/zinc/12/64/45/823126445.db2.gz ZJYXXVFVQLYPQN-SIKLNZKXSA-N 1 0 380.536 4.065 20 0 GIADRO COc1ccc(C2(C[NH2+][C@H](Cc3cccc(OC)c3)C3CC3)CCOCC2)cc1 ZINC000121147379 823127129 /nfs/dbraw/zinc/12/71/29/823127129.db2.gz ZAURPZHNMCUJKD-XMMPIXPASA-N 1 0 395.543 4.363 20 0 GIADRO C[C@H]1C[C@@H](NC(=O)c2c(F)c(F)cc(F)c2F)CC[N@@H+]1Cc1ccccc1 ZINC000176123859 823128635 /nfs/dbraw/zinc/12/86/35/823128635.db2.gz OYHNCVHNPOBZHA-JSGCOSHPSA-N 1 0 380.385 4.026 20 0 GIADRO Cc1noc(Cl)c1CCC(=O)NC[C@H](c1ccc(CC(C)C)cc1)[NH+](C)C ZINC000571079462 823128785 /nfs/dbraw/zinc/12/87/85/823128785.db2.gz RSFCAZYKSHAIIO-LJQANCHMSA-N 1 0 391.943 4.187 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1cccc(Nc2ncccn2)c1 ZINC000056332231 823129366 /nfs/dbraw/zinc/12/93/66/823129366.db2.gz RUQKAYNQZGIYST-UHFFFAOYSA-N 1 0 387.487 4.111 20 0 GIADRO C[C@H](c1cc(F)ccc1F)N(C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000056330596 823129482 /nfs/dbraw/zinc/12/94/82/823129482.db2.gz RKTZVMXYSTVZHH-MRXNPFEDSA-N 1 0 387.474 4.332 20 0 GIADRO CCOc1cc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)ccc1OC ZINC000571083103 823129548 /nfs/dbraw/zinc/12/95/48/823129548.db2.gz BXBHPPUMZCUHHY-OAQYLSRUSA-N 1 0 380.532 4.381 20 0 GIADRO COc1ccc(C)cc1NC(=O)C[NH2+][C@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000571084180 823129587 /nfs/dbraw/zinc/12/95/87/823129587.db2.gz NRZCVRAHEJAEKD-QGZVFWFLSA-N 1 0 391.471 4.480 20 0 GIADRO CCN(C(=O)NC1CC[NH+](C2CCC2)CC1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000459114325 823129818 /nfs/dbraw/zinc/12/98/18/823129818.db2.gz SSXZEDUTBKYWGE-JOCHJYFZSA-N 1 0 389.559 4.441 20 0 GIADRO CN(Cc1nc2c(s1)CCCC2)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000176128903 823130691 /nfs/dbraw/zinc/13/06/91/823130691.db2.gz GBHIDHZPTRHECP-IBGZPJMESA-N 1 0 398.576 4.000 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1c2ccccc2O[C@H]1C ZINC000571120528 823135458 /nfs/dbraw/zinc/13/54/58/823135458.db2.gz RBQLWNSWDFNFHX-JXHRLWIKSA-N 1 0 393.531 4.062 20 0 GIADRO COc1ccccc1CNC(=O)[C@@H](C)[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000121176640 823132570 /nfs/dbraw/zinc/13/25/70/823132570.db2.gz PLRVXQITYFDJRK-CXAGYDPISA-N 1 0 390.936 4.180 20 0 GIADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc(F)cc3OC3CCCC3)CC[C@@H]21 ZINC000121179375 823133313 /nfs/dbraw/zinc/13/33/13/823133313.db2.gz HUPWVWMIJVMIKS-BEFAXECRSA-N 1 0 375.488 4.095 20 0 GIADRO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N(C)CCC[N@H+](C)Cc1ccco1 ZINC000571112403 823133931 /nfs/dbraw/zinc/13/39/31/823133931.db2.gz XSQUBOQDOFWXHQ-CQSZACIVSA-N 1 0 398.334 4.367 20 0 GIADRO CC(C)Oc1ccc(C[NH+]2CCC(C(=O)N[C@@H](C)C(C)C)CC2)cc1Cl ZINC000187792290 823134121 /nfs/dbraw/zinc/13/41/21/823134121.db2.gz NKXYSIUDPBJZFI-INIZCTEOSA-N 1 0 380.960 4.500 20 0 GIADRO C[NH+]1CCC2(CCCN2C(=O)N[C@H]2CC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000459142352 823134329 /nfs/dbraw/zinc/13/43/29/823134329.db2.gz OVGLBIVZCDJOKU-MJGOQNOKSA-N 1 0 375.944 4.246 20 0 GIADRO Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)C3CCN(c4cc[nH+]cc4C)CC3)C2)cc1 ZINC000571140471 823140086 /nfs/dbraw/zinc/14/00/86/823140086.db2.gz USOWRMCYINYIKF-DENIHFKCSA-N 1 0 377.532 4.319 20 0 GIADRO COc1ccc([C@@H](NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c2ccco2)cc1 ZINC000459214679 823145610 /nfs/dbraw/zinc/14/56/10/823145610.db2.gz NXAOTHZLBQTZQK-DENIHFKCSA-N 1 0 397.519 4.038 20 0 GIADRO COC(=O)c1csc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccccc3Cl)C2=O)c1 ZINC000571152653 823141683 /nfs/dbraw/zinc/14/16/83/823141683.db2.gz NYXYUBMFFWAAJA-IUODEOHRSA-N 1 0 392.908 4.034 20 0 GIADRO COc1cc(C[N@H+](Cc2ccccc2NC(C)=O)C2CC2)ccc1OC(F)F ZINC000121224273 823141938 /nfs/dbraw/zinc/14/19/38/823141938.db2.gz SEFPJUVSSWRQBH-UHFFFAOYSA-N 1 0 390.430 4.420 20 0 GIADRO C[C@H]([NH2+]C[C@H]1CS(=O)(=O)c2ccccc21)c1nc(-c2ccccc2)cs1 ZINC000571156741 823141974 /nfs/dbraw/zinc/14/19/74/823141974.db2.gz USIAZPKWKKXSIZ-HOCLYGCPSA-N 1 0 384.526 4.032 20 0 GIADRO Cc1noc(C)c1C[C@@H](C)[NH2+]C[C@@H](O)COc1ccc(Oc2ccccc2)cc1 ZINC000571158609 823142135 /nfs/dbraw/zinc/14/21/35/823142135.db2.gz PCYNVFRNKYVQPO-VQIMIIECSA-N 1 0 396.487 4.044 20 0 GIADRO COc1ccc(C)cc1[C@H](C)NC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459197565 823142176 /nfs/dbraw/zinc/14/21/76/823142176.db2.gz CQPDAAOBXWMTQB-PZJWPPBQSA-N 1 0 395.547 4.228 20 0 GIADRO Cc1cc(F)ccc1-c1ccc(C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1F ZINC000571163706 823142914 /nfs/dbraw/zinc/14/29/14/823142914.db2.gz GZYSVCQLLSUIQF-QZTJIDSGSA-N 1 0 384.470 4.402 20 0 GIADRO COc1cc(C[NH2+]Cc2ccc(-c3ccccc3Cl)o2)ccc1OCCO ZINC000121233197 823143683 /nfs/dbraw/zinc/14/36/83/823143683.db2.gz WUAIVZZPYVYQON-UHFFFAOYSA-N 1 0 387.863 4.270 20 0 GIADRO Cc1ncc(CN(C)C(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)s1 ZINC000056402011 823144005 /nfs/dbraw/zinc/14/40/05/823144005.db2.gz CLLKDGABFKJCAL-INIZCTEOSA-N 1 0 386.565 4.025 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)N(C)c2ccc(SC)cc2)CC1 ZINC000571176017 823144483 /nfs/dbraw/zinc/14/44/83/823144483.db2.gz MPRNZHMYMBFHAS-UHFFFAOYSA-N 1 0 384.549 4.219 20 0 GIADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)NC[C@@H]2[C@@H](c3ccccc3)C2(C)C)CC1 ZINC000459210173 823144839 /nfs/dbraw/zinc/14/48/39/823144839.db2.gz IITZHKJKWRRGKA-FGZHOGPDSA-N 1 0 395.547 4.325 20 0 GIADRO CCc1nn(C)c(OC)c1C[NH2+][C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000571186188 823145445 /nfs/dbraw/zinc/14/54/45/823145445.db2.gz UHQIPFRWTZLXQJ-QAPCUYQASA-N 1 0 381.442 4.436 20 0 GIADRO CC(C)(C)c1cc(NC(=O)N2CCC[C@@H](C[NH3+])C2)n(-c2cccc(Cl)c2)n1 ZINC000571147035 823140740 /nfs/dbraw/zinc/14/07/40/823140740.db2.gz ZPDYROITHYPIEV-AWEZNQCLSA-N 1 0 389.931 4.026 20 0 GIADRO COc1cccc(C[C@@H]([NH2+]C[C@H]2CCN(c3cccc(OC)c3)C2)C2CC2)c1 ZINC000121244602 823146399 /nfs/dbraw/zinc/14/63/99/823146399.db2.gz LSVAAFLXOONHFD-NTKDMRAZSA-N 1 0 380.532 4.141 20 0 GIADRO CC[NH+](CC)CCOc1ccc(C(=O)NNc2ccccc2C(F)(F)F)cc1 ZINC000056421428 823147006 /nfs/dbraw/zinc/14/70/06/823147006.db2.gz CARPIQHCTUXTTA-UHFFFAOYSA-N 1 0 395.425 4.183 20 0 GIADRO CC(C)C[C@H](NC(=O)NC1CC[NH+](Cc2ccncc2)CC1)c1ccccc1 ZINC000056421832 823147379 /nfs/dbraw/zinc/14/73/79/823147379.db2.gz NBYBABFFJOWXAP-QFIPXVFZSA-N 1 0 380.536 4.133 20 0 GIADRO CSCC[C@H](CO)[NH2+][C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000571201052 823147740 /nfs/dbraw/zinc/14/77/40/823147740.db2.gz GYNUNWPGCIIGFV-WBMJQRKESA-N 1 0 383.355 4.011 20 0 GIADRO CCOc1ccc(C(=O)N2CCC([NH2+][C@@H](C)Cc3ccccc3F)CC2)cc1 ZINC000187859479 823147928 /nfs/dbraw/zinc/14/79/28/823147928.db2.gz WEXCLZYWOYVXEG-KRWDZBQOSA-N 1 0 384.495 4.050 20 0 GIADRO CO[C@H]1CN(C(=O)Nc2ccc(SCC[NH+]3CCCCC3)cc2)CC[C@H]1C ZINC000571203775 823147997 /nfs/dbraw/zinc/14/79/97/823147997.db2.gz GXKWULDUYNHIKM-XLIONFOSSA-N 1 0 391.581 4.153 20 0 GIADRO O=C(CC[N@@H+]1CCCCC[C@H]1c1ccco1)Nc1ccc(N2CCCC2=O)cc1 ZINC000121256174 823149006 /nfs/dbraw/zinc/14/90/06/823149006.db2.gz BXRAJGAZNYBBDU-FQEVSTJZSA-N 1 0 395.503 4.352 20 0 GIADRO C[C@H](c1ccccc1F)N(C)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000056441126 823149433 /nfs/dbraw/zinc/14/94/33/823149433.db2.gz XKLDJJPSHDANBV-MRXNPFEDSA-N 1 0 387.474 4.332 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)CC(C)(C)C(F)(F)F)C2)s1 ZINC000571217929 823150365 /nfs/dbraw/zinc/15/03/65/823150365.db2.gz RIJWNKMOXXAPJT-AWEZNQCLSA-N 1 0 376.488 4.315 20 0 GIADRO Cc1cccc(Br)c1C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000571217771 823150406 /nfs/dbraw/zinc/15/04/06/823150406.db2.gz BPRHNQFBXQQPPB-KRWDZBQOSA-N 1 0 393.369 4.486 20 0 GIADRO Cc1coc(-c2ccc(C)c(NC(=O)NC[C@@H](Cc3ccccc3)[NH+](C)C)c2)n1 ZINC000121271305 823152318 /nfs/dbraw/zinc/15/23/18/823152318.db2.gz ZBGQHVIKHQTXNY-HXUWFJFHSA-N 1 0 392.503 4.253 20 0 GIADRO C[N@@H+]1CCC[C@H](CCNC(=O)N2CCC[C@@H]2c2ccc(Br)cc2)C1 ZINC000459269054 823154105 /nfs/dbraw/zinc/15/41/05/823154105.db2.gz SOJNFZUPKJJHFP-CRAIPNDOSA-N 1 0 394.357 4.028 20 0 GIADRO Cc1ccc(CN(Cc2ccco2)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)s1 ZINC000459266698 823154172 /nfs/dbraw/zinc/15/41/72/823154172.db2.gz QDELQUQCOMRZSV-KRWDZBQOSA-N 1 0 375.538 4.093 20 0 GIADRO Cc1ccc([C@@H](CN[C@@H](c2ncc[nH]2)c2ccc(F)cc2)[NH+]2CCCC2)cc1 ZINC000187900105 823154882 /nfs/dbraw/zinc/15/48/82/823154882.db2.gz ZHGYYHDUMKJTJD-FGZHOGPDSA-N 1 0 378.495 4.373 20 0 GIADRO Fc1ccc([C@H](NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c2ncc[nH]2)cc1 ZINC000187902499 823155432 /nfs/dbraw/zinc/15/54/32/823155432.db2.gz CBALEMJOTBJEMR-UZLBHIALSA-N 1 0 384.524 4.202 20 0 GIADRO COc1ccc(F)cc1CNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000187904540 823155782 /nfs/dbraw/zinc/15/57/82/823155782.db2.gz NBOPTQOWKBDRCA-LAUBAEHRSA-N 1 0 399.510 4.029 20 0 GIADRO C[NH+](C)CCCN(C(=O)CCC(C)(C)O)C(c1ccccc1)c1ccccc1 ZINC000571261202 823157448 /nfs/dbraw/zinc/15/74/48/823157448.db2.gz AYIGIMQVBKKOQW-UHFFFAOYSA-N 1 0 382.548 4.107 20 0 GIADRO COc1ccccc1C[C@H](C)N(C)C(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000176232293 823158764 /nfs/dbraw/zinc/15/87/64/823158764.db2.gz XPGDOADUQLIJEF-PXNSSMCTSA-N 1 0 399.535 4.006 20 0 GIADRO CCC[C@@H](NC(=O)N1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1)C1CCCC1 ZINC000459314767 823160208 /nfs/dbraw/zinc/16/02/08/823160208.db2.gz KWASQBSHFYPCOK-PKOBYXMFSA-N 1 0 392.613 4.274 20 0 GIADRO C[NH2+]C1CCN(CC(=O)Nc2cc(Cl)ccc2Oc2ccc(C)cc2)CC1 ZINC000571284709 823160281 /nfs/dbraw/zinc/16/02/81/823160281.db2.gz LPDXYKKMOXIXIG-UHFFFAOYSA-N 1 0 387.911 4.063 20 0 GIADRO COc1ccc2c(c1)[C@@H]([NH2+]CCCc1nnc3n1CCCCC3)CCCS2 ZINC000187937472 823160946 /nfs/dbraw/zinc/16/09/46/823160946.db2.gz SVAUORVXAAJAGM-SFHVURJKSA-N 1 0 386.565 4.163 20 0 GIADRO [NH3+]Cc1cc(C(=O)NC2(c3cccc(Br)c3)CCCCC2)co1 ZINC000187943264 823161727 /nfs/dbraw/zinc/16/17/27/823161727.db2.gz LXCJFRAOTPAGQD-UHFFFAOYSA-N 1 0 377.282 4.090 20 0 GIADRO O=C(Nc1ccccc1Br)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176246096 823162132 /nfs/dbraw/zinc/16/21/32/823162132.db2.gz KBFFPNLLQNCQHF-UHFFFAOYSA-N 1 0 380.330 4.368 20 0 GIADRO COc1ccc2c(c1)[C@@H]([NH2+]CCc1cc(F)cc3c1OCOC3)CCCS2 ZINC000187954805 823163200 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20 0 GIADRO CCOc1cc(C[N@@H+]2CC[C@@H](CN(CC)CC(F)(F)F)C2)cc(Cl)c1O ZINC000459338505 823164520 /nfs/dbraw/zinc/16/45/20/823164520.db2.gz KMBQQELRHZRNHY-ZDUSSCGKSA-N 1 0 394.865 4.150 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC000459342058 823165743 /nfs/dbraw/zinc/16/57/43/823165743.db2.gz GUBVCTKFHHMXHV-UHFFFAOYSA-N 1 0 384.505 4.362 20 0 GIADRO CCc1ccc(CN2CCN(Cc3csc(-c4ccc(F)cc4)n3)CC2)cn1 ZINC000571364297 823171527 /nfs/dbraw/zinc/17/15/27/823171527.db2.gz DCQMLDXSXCTLQH-UHFFFAOYSA-N 1 0 396.535 4.224 20 0 GIADRO COc1ccc(-c2ccccc2C)cc1C[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000459347427 823167313 /nfs/dbraw/zinc/16/73/13/823167313.db2.gz VLGIBIIIGWGXMU-QFIPXVFZSA-N 1 0 381.516 4.441 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)N[C@H]3CCc4cc(F)ccc43)c(C)c2)CC1 ZINC000056554090 823168299 /nfs/dbraw/zinc/16/82/99/823168299.db2.gz RWPUXRUGMIQOFH-QFIPXVFZSA-N 1 0 396.510 4.085 20 0 GIADRO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1csc(-c2ccc(C(N)=O)cc2)n1 ZINC000121370639 823171785 /nfs/dbraw/zinc/17/17/85/823171785.db2.gz ORQGYJLDHYLVPE-KSSFIOAISA-N 1 0 395.503 4.426 20 0 GIADRO Cc1ccc(Br)cc1NC(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000459351457 823168655 /nfs/dbraw/zinc/16/86/55/823168655.db2.gz GVIUEDWDWLBEDI-UHFFFAOYSA-N 1 0 396.354 4.415 20 0 GIADRO c1ccc(-n2nnnc2CC[NH2+][C@@H]2CC3(CCCCC3)Oc3ccccc32)cc1 ZINC000571346470 823168717 /nfs/dbraw/zinc/16/87/17/823168717.db2.gz VMOSXFMMTPPFPJ-HXUWFJFHSA-N 1 0 389.503 4.021 20 0 GIADRO CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cccn2)c(F)c1)c1ccccc1 ZINC000571348395 823168868 /nfs/dbraw/zinc/16/88/68/823168868.db2.gz YTMCXMHGMNDCDN-DLBZAZTESA-N 1 0 380.467 4.104 20 0 GIADRO Cc1ncc2c(n1)CC[C@H]([NH2+][C@H]1CCCOc3c(Cl)c(Cl)ccc31)C2 ZINC000571349495 823169120 /nfs/dbraw/zinc/16/91/20/823169120.db2.gz ZPTBDQPRDNEOJN-GUYCJALGSA-N 1 0 378.303 4.453 20 0 GIADRO c1c(C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459354827 823169837 /nfs/dbraw/zinc/16/98/37/823169837.db2.gz JTHVXZXZUFYTQY-RTBURBONSA-N 1 0 380.536 4.309 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCc2c1cc(F)cc2F)c1cc(F)ccc1N1CCC(O)CC1 ZINC000121360181 823170047 /nfs/dbraw/zinc/17/00/47/823170047.db2.gz HHPMPPBOCPHSOC-LRTDBIEQSA-N 1 0 390.449 4.403 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(NC(=O)c2cccc(F)c2)c1)c1cccc(CO)c1 ZINC000121357839 823170118 /nfs/dbraw/zinc/17/01/18/823170118.db2.gz JPTCJHIJPSIUCM-INIZCTEOSA-N 1 0 378.447 4.421 20 0 GIADRO CC[C@H]([NH2+]CC(=O)Nc1cc(Cl)c(OC)cc1OC)c1ccc(C)cc1 ZINC000121362152 823170605 /nfs/dbraw/zinc/17/06/05/823170605.db2.gz SMUSMXODWJNHPL-INIZCTEOSA-N 1 0 376.884 4.345 20 0 GIADRO CC(C)c1scnc1NC(=O)NCCN1CCc2c(Cl)cccc2C1 ZINC000571361151 823171070 /nfs/dbraw/zinc/17/10/70/823171070.db2.gz PFFMUKFHFGWNCR-UHFFFAOYSA-N 1 0 378.929 4.100 20 0 GIADRO Cn1ccnc1Sc1ccccc1NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000176281771 823171429 /nfs/dbraw/zinc/17/14/29/823171429.db2.gz ROMOXFNIXYVAMV-INIZCTEOSA-N 1 0 384.549 4.164 20 0 GIADRO CCCC[C@H](C)[N@H+](C)CC(=O)Nc1nc(-c2ccc(OC)cc2OC)cs1 ZINC000571366947 823172188 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GIADRO OC1(Cc2ccc(F)cc2F)C[C@H]2CC[C@@H](C1)[N@H+]2CCOCC1CCCC1 ZINC000459366654 823174152 /nfs/dbraw/zinc/17/41/52/823174152.db2.gz CXJWDRZGHXUIGS-RLAPIPATSA-N 1 0 379.491 4.072 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@H]1c1ccccn1)c1cccc(OC)c1 ZINC000056582568 823174413 /nfs/dbraw/zinc/17/44/13/823174413.db2.gz KVXAUXOFNIHZKN-VXKWHMMOSA-N 1 0 396.535 4.020 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1C[NH2+]Cc1cccc(Cn2ccnc2)c1 ZINC000459371490 823175073 /nfs/dbraw/zinc/17/50/73/823175073.db2.gz SYBHTZZYSRPLRZ-UHFFFAOYSA-N 1 0 377.517 4.116 20 0 GIADRO COc1cc(C[N@@H+]2CCC[C@@]2(CO)CC(C)C)ccc1OCc1ccncc1 ZINC000188036817 823175094 /nfs/dbraw/zinc/17/50/94/823175094.db2.gz ZTLFLXZTRFBSNA-QHCPKHFHSA-N 1 0 384.520 4.042 20 0 GIADRO CC(=O)N1CC[C@@H](C[N@H+](C)C/C=C\c2ccc(OCc3ccccc3)cc2)C1 ZINC000459372763 823175344 /nfs/dbraw/zinc/17/53/44/823175344.db2.gz ZSFCZLRUPXAMGJ-KUSOGIATSA-N 1 0 378.516 4.079 20 0 GIADRO CC(=O)N1CC[C@H](C[N@H+](C)C/C=C/c2ccc(OCc3ccccc3)cc2)C1 ZINC000459372765 823175456 /nfs/dbraw/zinc/17/54/56/823175456.db2.gz ZSFCZLRUPXAMGJ-MFJULSPGSA-N 1 0 378.516 4.079 20 0 GIADRO Cc1nn(C)c(C)c1CC[NH2+]C/C=C/c1ccc(OCc2ccccc2)cc1 ZINC000459373977 823175719 /nfs/dbraw/zinc/17/57/19/823175719.db2.gz ISVWTDAJHHETGA-JXMROGBWSA-N 1 0 375.516 4.461 20 0 GIADRO CC(C)Oc1ccc([C@@H](CNC(=O)CCc2cccc(F)c2F)[NH+](C)C)cc1 ZINC000571390992 823176366 /nfs/dbraw/zinc/17/63/66/823176366.db2.gz TUSBIMZFMSKIAE-HXUWFJFHSA-N 1 0 390.474 4.104 20 0 GIADRO Oc1cccc(CNCc2ccc(C[NH+]3CCCC3)cc2)c1Br ZINC000459377339 823176927 /nfs/dbraw/zinc/17/69/27/823176927.db2.gz MHRLMZXUQRECES-UHFFFAOYSA-N 1 0 375.310 4.040 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)N[C@H]2CCC[C@@H](F)C2)CC1 ZINC000571402168 823178015 /nfs/dbraw/zinc/17/80/15/823178015.db2.gz KTHDODMNCOAYAN-CABCVRRESA-N 1 0 383.895 4.215 20 0 GIADRO C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000571440669 823183008 /nfs/dbraw/zinc/18/30/08/823183008.db2.gz ZNKSMMUONYGLFY-FIRJTHROSA-N 1 0 375.456 4.054 20 0 GIADRO Cc1nc(-c2ccccc2F)sc1C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000571407827 823178332 /nfs/dbraw/zinc/17/83/32/823178332.db2.gz HFWMWBIKPQKZTG-UHFFFAOYSA-N 1 0 375.513 4.108 20 0 GIADRO C[C@@H]1CN(c2ccccc2C[NH2+]Cc2ccc(OC(F)(F)F)cc2)CCO1 ZINC000459383664 823178893 /nfs/dbraw/zinc/17/88/93/823178893.db2.gz UTCBCNWGZALZCA-OAHLLOKOSA-N 1 0 380.410 4.100 20 0 GIADRO CCOc1cc(C[NH2+][C@@H](C)c2ccc(OC)cc2)cc(Br)c1O ZINC000459384736 823179157 /nfs/dbraw/zinc/17/91/57/823179157.db2.gz DXSLFWMBNGQJKJ-LBPRGKRZSA-N 1 0 380.282 4.413 20 0 GIADRO [NH3+]CCC1CCN(C(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)CC1 ZINC000571413062 823179359 /nfs/dbraw/zinc/17/93/59/823179359.db2.gz QLPSULQDYITKDZ-UHFFFAOYSA-N 1 0 396.318 4.168 20 0 GIADRO CCN(CCC[NH+](CC)CC)C(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 ZINC000188058335 823179487 /nfs/dbraw/zinc/17/94/87/823179487.db2.gz KIIWQCHIIHXFNO-UHFFFAOYSA-N 1 0 385.508 4.034 20 0 GIADRO CCOc1cc(C[NH2+]C[C@H]2CCN(c3cccc(OC)c3)C2)cc(Cl)c1O ZINC000459397833 823183170 /nfs/dbraw/zinc/18/31/70/823183170.db2.gz KHLGYAOGOBWGSO-OAHLLOKOSA-N 1 0 390.911 4.069 20 0 GIADRO CC1CC[NH+](Cc2ccc(CNC(=O)N3CCC[C@H]3c3ccccn3)cc2)CC1 ZINC000056611383 823180643 /nfs/dbraw/zinc/18/06/43/823180643.db2.gz GTSYUBAJCVVDSE-QHCPKHFHSA-N 1 0 392.547 4.360 20 0 GIADRO CCOc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(OC)c(OC)c1C ZINC000571425758 823180940 /nfs/dbraw/zinc/18/09/40/823180940.db2.gz FPXKFHRPKZEYOE-CVEARBPZSA-N 1 0 386.492 4.089 20 0 GIADRO CCCN(CCC[NH+](C)C)C(=O)c1ccc2c(c1)nc(Cc1cccs1)n2C ZINC000571427769 823181306 /nfs/dbraw/zinc/18/13/06/823181306.db2.gz IHERMIMRNSGWCE-UHFFFAOYSA-N 1 0 398.576 4.030 20 0 GIADRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc2c(c1)CCCCC2=O ZINC000571427004 823181328 /nfs/dbraw/zinc/18/13/28/823181328.db2.gz GSCKGOYHROSBTG-KRWDZBQOSA-N 1 0 396.556 4.299 20 0 GIADRO COCc1ccccc1C[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459392284 823181446 /nfs/dbraw/zinc/18/14/46/823181446.db2.gz QJIKPONTYCTWPI-UHFFFAOYSA-N 1 0 376.504 4.496 20 0 GIADRO [NH3+][C@H]1CCc2ncc(NC(=O)CCCOc3ccc(Cl)cc3Cl)cc2C1 ZINC000571432834 823181809 /nfs/dbraw/zinc/18/18/09/823181809.db2.gz XBWRWRBFSWPAJY-AWEZNQCLSA-N 1 0 394.302 4.002 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1CNC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000459395752 823182456 /nfs/dbraw/zinc/18/24/56/823182456.db2.gz BLTHBAABPPVCGZ-LJQANCHMSA-N 1 0 394.588 4.236 20 0 GIADRO CSc1ccc([C@H](C[NH2+][C@H](C)CC(=O)Nc2cccc(F)c2)N(C)C)cc1 ZINC000571458295 823185897 /nfs/dbraw/zinc/18/58/97/823185897.db2.gz UGDBWZUVTBGHES-QRWLVFNGSA-N 1 0 389.540 4.157 20 0 GIADRO C[C@@H](CNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)Cc1cccs1 ZINC000176337887 823186113 /nfs/dbraw/zinc/18/61/13/823186113.db2.gz VVGYMQREKVFTDP-GOSISDBHSA-N 1 0 385.577 4.233 20 0 GIADRO O=C1CCCN1CCC[NH2+][C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC000188101598 823186663 /nfs/dbraw/zinc/18/66/63/823186663.db2.gz HBOOKSSFSIETCV-FQEVSTJZSA-N 1 0 387.321 4.141 20 0 GIADRO COc1ccccc1N1CC[C@@H](C[NH2+]Cc2c(C)nc3scc(C4CC4)n23)C1 ZINC000459409434 823186827 /nfs/dbraw/zinc/18/68/27/823186827.db2.gz YFLHKEFJSJFJDJ-INIZCTEOSA-N 1 0 396.560 4.206 20 0 GIADRO CCOc1cc(C[NH2+][C@@H]2CCOc3ccc(F)cc32)cc(Br)c1O ZINC000459411775 823187098 /nfs/dbraw/zinc/18/70/98/823187098.db2.gz UWCNVBPNCBDFRJ-OAHLLOKOSA-N 1 0 396.256 4.306 20 0 GIADRO Cc1cnc([C@@H](NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)C2CC2)s1 ZINC000176343886 823187872 /nfs/dbraw/zinc/18/78/72/823187872.db2.gz RTYCXGZCYRWQGD-FQEVSTJZSA-N 1 0 398.576 4.209 20 0 GIADRO CC1(c2ccccc2)CC([NH2+]Cc2csc(CNC(=O)c3ccccc3)n2)C1 ZINC000459416384 823188022 /nfs/dbraw/zinc/18/80/22/823188022.db2.gz BVSJMEPTDJTYLR-UHFFFAOYSA-N 1 0 391.540 4.283 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc3c(c2)OC(CC)(CC)O3)[C@@H](C)C1 ZINC000188119803 823189473 /nfs/dbraw/zinc/18/94/73/823189473.db2.gz ZYPVBFSIRHLNAC-DOTOQJQBSA-N 1 0 375.513 4.168 20 0 GIADRO CCC(=O)N1CC[C@H]([NH2+][C@H](c2ccc(Br)cc2Cl)C2CC2)C1 ZINC000188156321 823195454 /nfs/dbraw/zinc/19/54/54/823195454.db2.gz LPDQTBNNWDXJAQ-GUYCJALGSA-N 1 0 385.733 4.154 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1C[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000459454014 823195566 /nfs/dbraw/zinc/19/55/66/823195566.db2.gz BDPBBGUHHUMWSQ-APWZRJJASA-N 1 0 389.471 4.480 20 0 GIADRO CCOc1cc(C[NH2+][C@@H]2CCCC[C@@H]2n2cccn2)cc(Br)c1O ZINC000459434256 823191198 /nfs/dbraw/zinc/19/11/98/823191198.db2.gz HOSJKDRQCHJHGL-CVEARBPZSA-N 1 0 394.313 4.023 20 0 GIADRO COc1c(C)ccc(NC(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)c1C ZINC000571493981 823191920 /nfs/dbraw/zinc/19/19/20/823191920.db2.gz VSIBFCSOWIGNRZ-GOSISDBHSA-N 1 0 375.900 4.390 20 0 GIADRO C[C@@H](CN1CCCC1=O)[NH2+][C@H](c1ccccc1)c1ccc(Br)cc1 ZINC000188140495 823192496 /nfs/dbraw/zinc/19/24/96/823192496.db2.gz GRAUZSWIGAJNPU-MGPUTAFESA-N 1 0 387.321 4.139 20 0 GIADRO Cc1cc(NC(=O)N[C@@H]2CC[C@H](c3cccc(F)c3)C2)n(C2CC[NH+](C)CC2)n1 ZINC000571498293 823192610 /nfs/dbraw/zinc/19/26/10/823192610.db2.gz QYHDNGMURDHCSE-PKOBYXMFSA-N 1 0 399.514 4.055 20 0 GIADRO CC(C)CC(=O)N1CCC([NH2+][C@@H](C)Cc2ccc(Br)cc2)CC1 ZINC000188157112 823195760 /nfs/dbraw/zinc/19/57/60/823195760.db2.gz CJJXCXGOBRDHOC-HNNXBMFYSA-N 1 0 381.358 4.007 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+]CCc2nnc(-c3ccccc3)o2)[C@H]1Sc1ccccc1 ZINC000459443532 823193078 /nfs/dbraw/zinc/19/30/78/823193078.db2.gz DRPVKZOOKAGBMY-QKNQBKEWSA-N 1 0 395.528 4.207 20 0 GIADRO CC(=O)Nc1c(C)ccc(NC(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1C ZINC000056690467 823193675 /nfs/dbraw/zinc/19/36/75/823193675.db2.gz RFENFNYBOZHOBU-HOTGVXAUSA-N 1 0 388.556 4.141 20 0 GIADRO CCOc1cc(C[NH2+]C2(c3cccc(F)c3)CC2)cc(Br)c1O ZINC000459445635 823193772 /nfs/dbraw/zinc/19/37/72/823193772.db2.gz NFHXZNWZXKOFQX-UHFFFAOYSA-N 1 0 380.257 4.471 20 0 GIADRO COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCN(C(=O)C3CCCCC3)C1)CCCS2 ZINC000188151438 823194360 /nfs/dbraw/zinc/19/43/60/823194360.db2.gz ZUMGSWZURAOCPJ-XLIONFOSSA-N 1 0 388.577 4.393 20 0 GIADRO CC[N@H+](CCNC(=O)Nc1ccc(Oc2cccnc2)cc1)CCC(F)(F)F ZINC000571479612 823189135 /nfs/dbraw/zinc/18/91/35/823189135.db2.gz QAYQRGVHYPWJNF-UHFFFAOYSA-N 1 0 396.413 4.270 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccccc2Oc2ccncc2)C1 ZINC000571532063 823196732 /nfs/dbraw/zinc/19/67/32/823196732.db2.gz PLWTUIMUDOUXPB-UYAOXDASSA-N 1 0 387.483 4.439 20 0 GIADRO C[C@@H]1CC[N@H+](Cn2c3ccccc3nc2SC(F)F)C[C@@H]1n1ccnc1 ZINC000121507322 823196820 /nfs/dbraw/zinc/19/68/20/823196820.db2.gz BOJDLSDHGUBLDI-CJNGLKHVSA-N 1 0 377.464 4.088 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@H]2c3sccc3OC(C)(C)[C@@H]2O)ccc1OC(F)F ZINC000571531377 823196836 /nfs/dbraw/zinc/19/68/36/823196836.db2.gz RWHCBBSRTMDOCC-TYFHEEPYSA-N 1 0 399.459 4.282 20 0 GIADRO Cc1nccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccc(OC(F)F)cc1OC(F)F ZINC000121508681 823197056 /nfs/dbraw/zinc/19/70/56/823197056.db2.gz HDDILVHWUXPSMI-RYUDHWBXSA-N 1 0 389.393 4.381 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2OCC(F)(F)F)C1)CC(F)(F)F ZINC000176392265 823197086 /nfs/dbraw/zinc/19/70/86/823197086.db2.gz GHEDTIHQSGLMJD-CQSZACIVSA-N 1 0 398.391 4.334 20 0 GIADRO C[C@H]1CN(c2ccccc2C[NH2+]Cc2ccc(Oc3ccccc3)nc2)CCO1 ZINC000459461820 823197286 /nfs/dbraw/zinc/19/72/86/823197286.db2.gz IWDDFZCMFKFXJZ-IBGZPJMESA-N 1 0 389.499 4.389 20 0 GIADRO COc1c(Cl)cccc1NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000056727829 823201175 /nfs/dbraw/zinc/20/11/75/823201175.db2.gz BSWWNHDFTQCEGM-UHFFFAOYSA-N 1 0 391.874 4.274 20 0 GIADRO COc1cc(C[NH2+]CC(C)(C)c2ccccc2Br)cc(OC)c1O ZINC000571545560 823198664 /nfs/dbraw/zinc/19/86/64/823198664.db2.gz VAJSSBPPJVWZSK-UHFFFAOYSA-N 1 0 394.309 4.239 20 0 GIADRO C[C@@H](NC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1)c1c(F)cncc1F ZINC000571545437 823198676 /nfs/dbraw/zinc/19/86/76/823198676.db2.gz OIIVAMWMKFPNEA-MRXNPFEDSA-N 1 0 395.453 4.483 20 0 GIADRO CC(C)c1cc(Br)ccc1NC(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000459468348 823198878 /nfs/dbraw/zinc/19/88/78/823198878.db2.gz TVZHSRYJSSGTRB-CQSZACIVSA-N 1 0 382.346 4.426 20 0 GIADRO O=C(Nc1cccc(-c2noc(C3CC3)n2)c1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000176396966 823198922 /nfs/dbraw/zinc/19/89/22/823198922.db2.gz QBSIKIBTTAUQDQ-QGZVFWFLSA-N 1 0 380.492 4.207 20 0 GIADRO CC[C@H]([NH2+]Cc1cc(=O)[nH]c(-c2ccccc2)n1)c1ccc(OC)c(OC)c1 ZINC000459473590 823199455 /nfs/dbraw/zinc/19/94/55/823199455.db2.gz WXANIWAPJMJYIY-SFHVURJKSA-N 1 0 379.460 4.107 20 0 GIADRO C[C@H](C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1)[C@H]([NH3+])c1ccccc1 ZINC000571554855 823199766 /nfs/dbraw/zinc/19/97/66/823199766.db2.gz KJLINMFXYFPMBQ-VPWXQRGCSA-N 1 0 379.529 4.338 20 0 GIADRO O=C(c1ccncc1)N1CCC([NH2+][C@@H]2CCC[C@H]2Cc2ccc(Cl)cc2)CC1 ZINC000459475393 823200036 /nfs/dbraw/zinc/20/00/36/823200036.db2.gz ZWIKWHZAGLLNHS-SIKLNZKXSA-N 1 0 397.950 4.341 20 0 GIADRO CC(C)N1CC[C@H]([NH2+]Cc2cnc(C3CC3)nc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000459474687 823200121 /nfs/dbraw/zinc/20/01/21/823200121.db2.gz VSIKUIAFXIGULE-PMACEKPBSA-N 1 0 388.918 4.460 20 0 GIADRO C[C@@H](NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)[C@@H](C)c1ccccc1 ZINC000176406165 823201364 /nfs/dbraw/zinc/20/13/64/823201364.db2.gz CITHJOSFZWPRIE-WOJBJXKFSA-N 1 0 379.548 4.485 20 0 GIADRO CC[C@@H](C)Oc1ccc(NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000056729222 823201603 /nfs/dbraw/zinc/20/16/03/823201603.db2.gz RNHBUJNRJZDHEQ-QGZVFWFLSA-N 1 0 382.508 4.045 20 0 GIADRO Cc1sc(NC(=O)C23CCC[NH+]2CCC3)nc1-c1c(F)cc(F)cc1F ZINC000571574571 823202607 /nfs/dbraw/zinc/20/26/07/823202607.db2.gz UQVRHBRHIZZTHM-UHFFFAOYSA-N 1 0 381.423 4.103 20 0 GIADRO CCOc1ccc(NC(=O)N(CC[NH+](C)C)C2CCCC2)c(C(F)(F)F)c1 ZINC000176414893 823203361 /nfs/dbraw/zinc/20/33/61/823203361.db2.gz XHSHTXNIMODVBO-UHFFFAOYSA-N 1 0 387.446 4.442 20 0 GIADRO O=C(NC[C@H]1CC[C@H](c2ccccc2)O1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000571576805 823203372 /nfs/dbraw/zinc/20/33/72/823203372.db2.gz KABHSXCCYZNIRE-MDNUFGMLSA-N 1 0 396.506 4.074 20 0 GIADRO Cc1cccc(N2CCC([NH2+][C@@H](C)Cc3ccc(Br)cc3)CC2)n1 ZINC000188208590 823203525 /nfs/dbraw/zinc/20/35/25/823203525.db2.gz NOFAOAMNHCPETM-INIZCTEOSA-N 1 0 388.353 4.342 20 0 GIADRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1ccc2c(ccn2Cc2ccccc2)c1 ZINC000571584399 823204021 /nfs/dbraw/zinc/20/40/21/823204021.db2.gz DGCAWFUHYADUPZ-QFIPXVFZSA-N 1 0 375.516 4.246 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1CNCc1nc2cc(Cl)ccc2n1C ZINC000459497444 823204508 /nfs/dbraw/zinc/20/45/08/823204508.db2.gz JNIZVIVLFBHGMO-UHFFFAOYSA-N 1 0 385.924 4.412 20 0 GIADRO C[C@H]1C[C@H](NC(=O)C2(c3cccnc3)CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000571598404 823205462 /nfs/dbraw/zinc/20/54/62/823205462.db2.gz VEKDMZWCJAZWBB-SIKLNZKXSA-N 1 0 377.532 4.063 20 0 GIADRO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)cc1 ZINC000571597754 823205546 /nfs/dbraw/zinc/20/55/46/823205546.db2.gz JRROEEIXXURZGS-KKSFZXQISA-N 1 0 382.529 4.306 20 0 GIADRO Cc1nc(CN2CCC(C[NH2+]Cc3cscc3C(F)(F)F)CC2)oc1C ZINC000571604946 823206899 /nfs/dbraw/zinc/20/68/99/823206899.db2.gz QYRKFWZNTRLLFH-UHFFFAOYSA-N 1 0 387.471 4.374 20 0 GIADRO OC[C@@H](C[NH2+]Cc1cscc1C(F)(F)F)Cc1cc(F)c(F)c(F)c1 ZINC000571605045 823207290 /nfs/dbraw/zinc/20/72/90/823207290.db2.gz UZDCLHHBKPEZEV-SNVBAGLBSA-N 1 0 383.357 4.125 20 0 GIADRO COc1c(Cl)cccc1NC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000056755712 823207696 /nfs/dbraw/zinc/20/76/96/823207696.db2.gz OBGMXHXETBCEMK-UHFFFAOYSA-N 1 0 387.911 4.397 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CC(C)(C)[C@@H]2[C@H]2CCCO2)cc1 ZINC000571609274 823208188 /nfs/dbraw/zinc/20/81/88/823208188.db2.gz PZYOYUQBOXHUBV-QIJUGHKUSA-N 1 0 399.579 4.160 20 0 GIADRO CC[C@@H](C)[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1)C(F)(F)F ZINC000571609873 823208571 /nfs/dbraw/zinc/20/85/71/823208571.db2.gz DLUQJXVWYHVZAP-WBMJQRKESA-N 1 0 395.416 4.015 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1C[NH2+]C[C@@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000459515570 823208937 /nfs/dbraw/zinc/20/89/37/823208937.db2.gz PKCYXANZMTWFFA-CXAGYDPISA-N 1 0 387.471 4.155 20 0 GIADRO CC[C@@H](C(=O)N1CCC([NH2+][C@H](C)c2cccc(CO)c2)CC1)c1ccccc1 ZINC000121575469 823209024 /nfs/dbraw/zinc/20/90/24/823209024.db2.gz KNVFUTNUTHVJER-WZONZLPQSA-N 1 0 380.532 4.014 20 0 GIADRO COc1ccccc1[C@@H](C[NH2+]Cc1ccccc1N1CCO[C@H](C)C1)OC(C)C ZINC000459518185 823209809 /nfs/dbraw/zinc/20/98/09/823209809.db2.gz FFJOEVAGPGQOPR-NTKDMRAZSA-N 1 0 398.547 4.176 20 0 GIADRO COc1cc(NC(=O)CC[N@H+](C)[C@H](C)Cc2ccsc2)c(OC)cc1Cl ZINC000176451189 823210322 /nfs/dbraw/zinc/21/03/22/823210322.db2.gz DUHQUNOSFWQGRX-CYBMUJFWSA-N 1 0 396.940 4.310 20 0 GIADRO O=C(N[C@H]1CCSc2ccc(Cl)cc21)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000121582855 823210803 /nfs/dbraw/zinc/21/08/03/823210803.db2.gz RPAJUYNOOBOKRH-WBVHZDCISA-N 1 0 379.957 4.147 20 0 GIADRO C[C@H](c1nc(-c2cccs2)no1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000571630265 823211976 /nfs/dbraw/zinc/21/19/76/823211976.db2.gz KKODJPLXTFSSEW-NEWSRXKRSA-N 1 0 394.544 4.313 20 0 GIADRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H](C)c3cnn(-c4cc(C)ccc4C)c3C)[C@H]2C1 ZINC000571678886 823217847 /nfs/dbraw/zinc/21/78/47/823217847.db2.gz BAFDQXBKVFJYBH-NWZJSZKRSA-N 1 0 394.563 4.095 20 0 GIADRO C[C@H]1CN(C(c2ccccc2)c2ccccc2)CCN1C(=O)c1cscn1 ZINC000459530914 823212807 /nfs/dbraw/zinc/21/28/07/823212807.db2.gz ZCMURDMKUMVOJU-KRWDZBQOSA-N 1 0 377.513 4.079 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)c1 ZINC000121595317 823212843 /nfs/dbraw/zinc/21/28/43/823212843.db2.gz PUBJWUJQSJYICI-HNNXBMFYSA-N 1 0 399.922 4.254 20 0 GIADRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H](C)c3cnn(-c4cc(C)ccc4C)c3C)[C@@H]2C1 ZINC000571678885 823217888 /nfs/dbraw/zinc/21/78/88/823217888.db2.gz BAFDQXBKVFJYBH-BPCBYJRWSA-N 1 0 394.563 4.095 20 0 GIADRO C[C@@H](NC(=O)Nc1ccc(-c2nncs2)cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000459532739 823213374 /nfs/dbraw/zinc/21/33/74/823213374.db2.gz ISOZUVKVPNESMT-RDTXWAMCSA-N 1 0 381.505 4.018 20 0 GIADRO COc1ccc(C(=O)Nc2cccc(C[NH+]3CCC([C@H]4CCCO4)CC3)c2)cc1 ZINC000188281515 823213913 /nfs/dbraw/zinc/21/39/13/823213913.db2.gz WNIAHGJEZXKFLL-HSZRJFAPSA-N 1 0 394.515 4.339 20 0 GIADRO COc1cc([C@@H](C)NCc2[nH+]c(C(C)C)n3ccccc23)cc(OC)c1OC ZINC000571647249 823214003 /nfs/dbraw/zinc/21/40/03/823214003.db2.gz NPCHGBWZUXZNQB-OAHLLOKOSA-N 1 0 383.492 4.334 20 0 GIADRO CO[C@@H](C)c1nc(C)c(C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)s1 ZINC000176466729 823214026 /nfs/dbraw/zinc/21/40/26/823214026.db2.gz BMQPEYZEYUCEIY-ZFWWWQNUSA-N 1 0 375.538 4.018 20 0 GIADRO Cc1cc([C@@H]([NH2+]C[C@H]2CC(=O)N(C3CC3)C2)c2ccccc2Cl)ccc1F ZINC000571648560 823214193 /nfs/dbraw/zinc/21/41/93/823214193.db2.gz VQWMJMHEEUPJBI-IVZQSRNASA-N 1 0 386.898 4.477 20 0 GIADRO O=c1cc(C[NH2+][C@H]2c3ccccc3CC23CCOCC3)nc(-c2ccccc2)[nH]1 ZINC000459535041 823214216 /nfs/dbraw/zinc/21/42/16/823214216.db2.gz PKKYFBWEIMGZQS-QFIPXVFZSA-N 1 0 387.483 4.033 20 0 GIADRO c1c(CNC2CC([NH+]3CCCCC3)C2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459536499 823214522 /nfs/dbraw/zinc/21/45/22/823214522.db2.gz XEWNPDUNCQQQGB-UHFFFAOYSA-N 1 0 379.552 4.167 20 0 GIADRO Fc1cccc(C[N@@H+]2CCC[C@@H](c3nc(COc4ccccc4F)no3)C2)c1 ZINC000188289992 823214710 /nfs/dbraw/zinc/21/47/10/823214710.db2.gz WXXBIIBMDCUAIW-MRXNPFEDSA-N 1 0 385.414 4.306 20 0 GIADRO O[C@H]1[C@H](C[NH2+]Cc2c(OC(F)F)ccc3ccccc32)CCC12CCOCC2 ZINC000571659590 823215492 /nfs/dbraw/zinc/21/54/92/823215492.db2.gz ZRPMFGUQWKNXNV-JXFKEZNVSA-N 1 0 391.458 4.099 20 0 GIADRO C[NH+]1CCC(N(Cc2ccco2)Cc2ccc(OCc3ccncc3)cc2)CC1 ZINC000571665156 823216009 /nfs/dbraw/zinc/21/60/09/823216009.db2.gz UYBQCLSLIIHAGR-UHFFFAOYSA-N 1 0 391.515 4.350 20 0 GIADRO Cc1ccccc1[C@H](OC[C@@H](O)C[N@H+](C)CCc1ccccn1)c1ccccc1 ZINC000121625675 823218308 /nfs/dbraw/zinc/21/83/08/823218308.db2.gz CUEUOMSUVNGRIC-UKILVPOCSA-N 1 0 390.527 4.031 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)c1 ZINC000121617730 823216983 /nfs/dbraw/zinc/21/69/83/823216983.db2.gz GOIQMVVQANZQPY-LSDHHAIUSA-N 1 0 380.492 4.341 20 0 GIADRO O[C@@H](C[NH2+]Cc1nc2ccccc2n1C1CC1)COc1ccc2ccccc2c1 ZINC000571672550 823217231 /nfs/dbraw/zinc/21/72/31/823217231.db2.gz YKSQETOVTZTTLT-FQEVSTJZSA-N 1 0 387.483 4.054 20 0 GIADRO Brc1ccc([C@H]([NH2+][C@@H]2CCc3n[nH]cc3C2)c2ccccc2)cc1 ZINC000188308607 823217627 /nfs/dbraw/zinc/21/76/27/823217627.db2.gz QMGMXVZAWKFYJB-UYAOXDASSA-N 1 0 382.305 4.409 20 0 GIADRO COc1ccc(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)c2cccnc12 ZINC000176489730 823219693 /nfs/dbraw/zinc/21/96/93/823219693.db2.gz FGEOWVRMYDOGEO-UHFFFAOYSA-N 1 0 382.508 4.162 20 0 GIADRO COc1ccc(-c2ccccc2C)cc1C[NH2+][C@@H]1CCO[C@H](c2nccn2C)C1 ZINC000459556930 823219813 /nfs/dbraw/zinc/21/98/13/823219813.db2.gz BWRMWHFCEWNLJZ-OFNKIYASSA-N 1 0 391.515 4.414 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccnc(N3CCCC3)c2)[C@H]1Sc1ccccc1 ZINC000459556000 823219907 /nfs/dbraw/zinc/21/99/07/823219907.db2.gz ABWUWVKQMIIIOJ-TUNNFDKTSA-N 1 0 383.561 4.110 20 0 GIADRO CCO[C@@H]1C[C@@H](Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)[C@H]1Sc1ccccc1 ZINC000459561244 823220389 /nfs/dbraw/zinc/22/03/89/823220389.db2.gz RHPDMYHWCKFLRD-JMJGKCIBSA-N 1 0 398.572 4.003 20 0 GIADRO CCO[C@H](C)c1nc(CN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cs1 ZINC000409446609 823220741 /nfs/dbraw/zinc/22/07/41/823220741.db2.gz IJVURDMVCRPVIN-HOJAQTOUSA-N 1 0 385.577 4.195 20 0 GIADRO Cc1cccc(NC2CCN(C(=O)NC3CC[NH+](C4CCCCC4)CC3)CC2)c1 ZINC000176495677 823221034 /nfs/dbraw/zinc/22/10/34/823221034.db2.gz DKMGUCKRDGDMGM-UHFFFAOYSA-N 1 0 398.595 4.378 20 0 GIADRO CC[C@@H](NC(=O)C1CC[NH+](C2CCN(CC)CC2)CC1)c1ccc(Cl)s1 ZINC000571699809 823221303 /nfs/dbraw/zinc/22/13/03/823221303.db2.gz KXFNGODIPFTKSK-QGZVFWFLSA-N 1 0 398.016 4.165 20 0 GIADRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1cc(Cl)c(F)cc1Cl ZINC000571703474 823221535 /nfs/dbraw/zinc/22/15/35/823221535.db2.gz CFSMCSYXWFRDNK-UHFFFAOYSA-N 1 0 381.278 4.311 20 0 GIADRO CC(C)[C@H](CNC(=O)C(C)(C)Cc1nc2ccccc2[nH]1)[NH+]1CCC(C)CC1 ZINC000409451678 823221578 /nfs/dbraw/zinc/22/15/78/823221578.db2.gz CYGNFZZAUCHFKE-FQEVSTJZSA-N 1 0 384.568 4.004 20 0 GIADRO COCCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(NC(C)=O)c2)cc1OC ZINC000121652338 823223187 /nfs/dbraw/zinc/22/31/87/823223187.db2.gz IJXMCGWITOVUHU-JKSUJKDBSA-N 1 0 386.492 4.091 20 0 GIADRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1cccs1)c1nc(C(C)(C)C)cs1 ZINC000176501187 823222523 /nfs/dbraw/zinc/22/25/23/823222523.db2.gz PPZVCKQBCJBDNN-AWEZNQCLSA-N 1 0 394.610 4.337 20 0 GIADRO C[NH+](C)CCC1CCN(C(=O)NCc2cccc(OCc3ccccc3)c2)CC1 ZINC000056846513 823222797 /nfs/dbraw/zinc/22/27/97/823222797.db2.gz ZTTOIVXJWTXNMA-UHFFFAOYSA-N 1 0 395.547 4.139 20 0 GIADRO O=C(N[C@@H](c1cccc(Cl)c1)c1ccccn1)N1CCC([NH+]2CCCC2)CC1 ZINC000121627093 823218615 /nfs/dbraw/zinc/21/86/15/823218615.db2.gz CBOOWGKVZSARBE-NRFANRHFSA-N 1 0 398.938 4.094 20 0 GIADRO Cc1c(C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)cnn1C(C)C ZINC000571737281 823228137 /nfs/dbraw/zinc/22/81/37/823228137.db2.gz LZQGUQBKXCNGIR-UHFFFAOYSA-N 1 0 390.915 4.151 20 0 GIADRO Cc1ccc(Nc2ccccc2C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000571723581 823225275 /nfs/dbraw/zinc/22/52/75/823225275.db2.gz LUGORXDPAAEWBW-AJSBUHFISA-N 1 0 393.531 4.062 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(C)(C)Cc2nc3ccccc3[nH]2)C1 ZINC000409463171 823225339 /nfs/dbraw/zinc/22/53/39/823225339.db2.gz JBEMPUVGWDQBTH-HDICACEKSA-N 1 0 384.568 4.006 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)C2(c3cccc(F)c3)CCOCC2)cc1 ZINC000188358768 823225534 /nfs/dbraw/zinc/22/55/34/823225534.db2.gz WKKILQCJFPYZNY-UHFFFAOYSA-N 1 0 384.495 4.354 20 0 GIADRO CC(C)Oc1ccccc1[C@@H](C)NC(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000056867045 823225727 /nfs/dbraw/zinc/22/57/27/823225727.db2.gz XEEYGTFFTSPXMY-GOSISDBHSA-N 1 0 375.557 4.297 20 0 GIADRO CC[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1)c1ccccc1OC ZINC000056867535 823225923 /nfs/dbraw/zinc/22/59/23/823225923.db2.gz PBQTXLGEIJRDHX-FQEVSTJZSA-N 1 0 387.499 4.059 20 0 GIADRO Cc1ccc(C(=O)C2CCN(C(=O)NCCCC[N@H+]3CCC[C@H](C)C3)CC2)cc1 ZINC000056868844 823226056 /nfs/dbraw/zinc/22/60/56/823226056.db2.gz SBRRRFXIUBUNAX-FQEVSTJZSA-N 1 0 399.579 4.111 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc(OCC2CC2)c(F)c1)c1ccc(-n2cnnn2)cc1 ZINC000121667981 823226457 /nfs/dbraw/zinc/22/64/57/823226457.db2.gz VSGLZCZBKXJVPZ-HUUCEWRRSA-N 1 0 381.455 4.002 20 0 GIADRO OCCC1C[NH+](Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)C1 ZINC000459593849 823226686 /nfs/dbraw/zinc/22/66/86/823226686.db2.gz PNXOULUAJFHWRG-UHFFFAOYSA-N 1 0 387.483 4.159 20 0 GIADRO C[C@@H]1CCCC[C@@]1(C)[NH2+]CC(=O)Nc1c(F)cc(F)cc1Br ZINC000459609914 823229071 /nfs/dbraw/zinc/22/90/71/823229071.db2.gz JIIOBRVZSSUGEM-QLJPJBMISA-N 1 0 375.257 4.224 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C)cc1 ZINC000188377058 823229425 /nfs/dbraw/zinc/22/94/25/823229425.db2.gz CUHLABLXFMWXDJ-UHFFFAOYSA-N 1 0 391.519 4.248 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(C3N=NC(=S)O3)cc2)cc1 ZINC000188377837 823229609 /nfs/dbraw/zinc/22/96/09/823229609.db2.gz NIGZPEYWWARTQR-UHFFFAOYSA-N 1 0 382.489 4.119 20 0 GIADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccn1-c1c(Cl)cccc1Cl ZINC000409478593 823230214 /nfs/dbraw/zinc/23/02/14/823230214.db2.gz GDBRHGMXMZXZHB-KBPBESRZSA-N 1 0 378.303 4.141 20 0 GIADRO CC(C)(C)[NH+]1CCC(NC(=O)C(Cc2ccccc2)Cc2ccccc2)CC1 ZINC000409480102 823230888 /nfs/dbraw/zinc/23/08/88/823230888.db2.gz SWYLDSHWQVZIAL-UHFFFAOYSA-N 1 0 378.560 4.467 20 0 GIADRO CC[S@@](=O)c1ccccc1C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000121692689 823231398 /nfs/dbraw/zinc/23/13/98/823231398.db2.gz RQYLCWQAKOILIY-SOKVYYICSA-N 1 0 384.545 4.298 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)N[C@@H]1CCSc2ccc(F)cc21)c1ccc(F)cc1 ZINC000056937463 823233020 /nfs/dbraw/zinc/23/30/20/823233020.db2.gz LDOBDHBKDDMVET-QZTJIDSGSA-N 1 0 391.487 4.104 20 0 GIADRO C[C@H](CCCc1cccnc1)[NH2+]CC(=O)NCCc1cccc(Cl)c1Cl ZINC000459630524 823233083 /nfs/dbraw/zinc/23/30/83/823233083.db2.gz AOWCDRBFQQUGND-OAHLLOKOSA-N 1 0 394.346 4.048 20 0 GIADRO CSc1ccc(CNC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000056944936 823233567 /nfs/dbraw/zinc/23/35/67/823233567.db2.gz FIACUSIQHJAVBT-UHFFFAOYSA-N 1 0 387.524 4.011 20 0 GIADRO Cc1ccc2snc(C(=O)N3CCC[N@H+](CCCc4ccccc4)CC3)c2c1 ZINC000571780956 823233708 /nfs/dbraw/zinc/23/37/08/823233708.db2.gz LYWAQUJHISDLFV-UHFFFAOYSA-N 1 0 393.556 4.385 20 0 GIADRO OCC[C@@H]1CCC[C@@H]1[NH2+][C@H](c1ccc(Br)o1)c1ccc(F)cc1 ZINC000571782991 823234049 /nfs/dbraw/zinc/23/40/49/823234049.db2.gz KFINIPFRNJMRAT-QITLCBANSA-N 1 0 382.273 4.411 20 0 GIADRO FC(F)(F)[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)n[nH]2)CC12CCOCC2 ZINC000459646047 823237451 /nfs/dbraw/zinc/23/74/51/823237451.db2.gz HSIHTTIQTOFOLW-GOSISDBHSA-N 1 0 379.426 4.258 20 0 GIADRO FC(F)(F)[C@H]1CC[N@H+](CCOc2ccc(Cl)cc2)CC12CCOCC2 ZINC000459637098 823234949 /nfs/dbraw/zinc/23/49/49/823234949.db2.gz HZDWCHFTPIOJIQ-INIZCTEOSA-N 1 0 377.834 4.400 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl)c1nc2c(s1)CCC2 ZINC000459636114 823234957 /nfs/dbraw/zinc/23/49/57/823234957.db2.gz PYKITPFEGNMYJW-ZYHUDNBSSA-N 1 0 387.332 4.029 20 0 GIADRO C[C@@H](OC[C@@H](O)C[NH2+][C@@H](C)c1nc2c(s1)CCC2)c1ccc(Cl)cc1 ZINC000459640025 823235666 /nfs/dbraw/zinc/23/56/66/823235666.db2.gz WVRNAMVGZQDTQT-ZENOOKHLSA-N 1 0 380.941 4.075 20 0 GIADRO COc1ccc(NC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)cc1SC ZINC000459646922 823237668 /nfs/dbraw/zinc/23/76/68/823237668.db2.gz DGPABTLCCHINLP-UHFFFAOYSA-N 1 0 391.512 4.152 20 0 GIADRO C[NH+](C)CC1CCN(C(=O)c2cccc(OCc3cccc(Cl)c3)c2)CC1 ZINC000056983247 823237828 /nfs/dbraw/zinc/23/78/28/823237828.db2.gz ZNMDEFSYMFJPOP-UHFFFAOYSA-N 1 0 386.923 4.333 20 0 GIADRO COC(=O)c1ccc(-c2nc(C[NH2+][C@H](C)CCCc3cccnc3)cs2)cc1 ZINC000459644650 823237021 /nfs/dbraw/zinc/23/70/21/823237021.db2.gz XBQQATLWBDYZSY-MRXNPFEDSA-N 1 0 395.528 4.493 20 0 GIADRO C[C@@H](CCCc1cccnc1)[NH2+][C@@H](C)C(=O)Nc1cccc(Br)c1 ZINC000459645351 823237125 /nfs/dbraw/zinc/23/71/25/823237125.db2.gz QUXPPGOEDFWBSZ-GJZGRUSLSA-N 1 0 390.325 4.172 20 0 GIADRO O=C(CN1CC[NH+](CCC2CCCCCC2)CC1)Nc1ccccc1Cl ZINC000571807302 823237168 /nfs/dbraw/zinc/23/71/68/823237168.db2.gz IMVXNPHSEZJUFB-UHFFFAOYSA-N 1 0 377.960 4.257 20 0 GIADRO COc1ccc([C@H](Cc2ccncc2)[NH2+][C@@H]2CCC[C@@H](C(=O)NC(C)C)C2)cc1 ZINC000571811973 823237964 /nfs/dbraw/zinc/23/79/64/823237964.db2.gz VYXDSZSSZPIUET-XPNTWCBSSA-N 1 0 395.547 4.047 20 0 GIADRO Cc1nc(CC2CC2)sc1C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000188417998 823237983 /nfs/dbraw/zinc/23/79/83/823237983.db2.gz KLMONKJXFXVTDP-UHFFFAOYSA-N 1 0 375.582 4.132 20 0 GIADRO O=C(Nc1cc(C2CC2)ccn1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000571812012 823238368 /nfs/dbraw/zinc/23/83/68/823238368.db2.gz AYXSFDVFFCFGCE-SEJPIABJSA-N 1 0 376.504 4.276 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)N2CC3(CCCC3)c3c2cccc3F)c1 ZINC000409515737 823238616 /nfs/dbraw/zinc/23/86/16/823238616.db2.gz FNBXHVRDFAYXOI-UHFFFAOYSA-N 1 0 381.495 4.429 20 0 GIADRO C[N@@H+](Cc1cccc(-c2ccncc2)c1)C[C@H](c1cccs1)N1CCOCC1 ZINC000121730440 823238716 /nfs/dbraw/zinc/23/87/16/823238716.db2.gz JWIPZBBQXAHEKH-JOCHJYFZSA-N 1 0 393.556 4.315 20 0 GIADRO CCOc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)cc1F ZINC000459653300 823240176 /nfs/dbraw/zinc/24/01/76/823240176.db2.gz RHHMSTAFKHLUEF-QGZVFWFLSA-N 1 0 375.406 4.405 20 0 GIADRO COc1ccc2nc(C)cc(C(=O)Nc3cccc4c3OCC[C@@H]4[NH+](C)C)c2c1 ZINC000571824796 823240516 /nfs/dbraw/zinc/24/05/16/823240516.db2.gz VIJVTZSYGGQOQC-NRFANRHFSA-N 1 0 391.471 4.189 20 0 GIADRO C[C@@H]([NH2+][C@H]1C[C@H](c2ccccc2Cl)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000571824910 823240523 /nfs/dbraw/zinc/24/05/23/823240523.db2.gz CLKVSOZJOSWUPY-FRFSOERESA-N 1 0 378.925 4.308 20 0 GIADRO COC(=O)c1cc(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c(C)s1 ZINC000459654342 823240697 /nfs/dbraw/zinc/24/06/97/823240697.db2.gz FGIZVJDXVKJBSG-HNNXBMFYSA-N 1 0 391.455 4.024 20 0 GIADRO C[C@@H](CNC(=O)N1CCC[C@H]1c1nc2ccccc2s1)C[NH+]1CCCCC1 ZINC000057040487 823242674 /nfs/dbraw/zinc/24/26/74/823242674.db2.gz GWZOLSSXZKGVIO-WMZOPIPTSA-N 1 0 386.565 4.265 20 0 GIADRO C[NH+](C)CCOc1ccc(-c2noc([C@@H]3C[C@@H]3c3ccc(F)cc3F)n2)cc1 ZINC000571838269 823242706 /nfs/dbraw/zinc/24/27/06/823242706.db2.gz HXGGECVVHHXPKP-QZTJIDSGSA-N 1 0 385.414 4.226 20 0 GIADRO C[C@H]1C[C@H](NC(=O)c2cnc(Cl)c(Cl)c2)CC[N@@H+]1Cc1ccccc1 ZINC000176582577 823241683 /nfs/dbraw/zinc/24/16/83/823241683.db2.gz GBZZBEYZKUEQHY-XJKSGUPXSA-N 1 0 378.303 4.171 20 0 GIADRO CCc1ccc(C[N@@H+]2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)o1 ZINC000121746890 823241996 /nfs/dbraw/zinc/24/19/96/823241996.db2.gz WTWFZMQKANQEMI-CYBMUJFWSA-N 1 0 378.398 4.283 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)CCCCN1C(=O)c2ccccc2C1=O)c1nc2c(s1)CCC2 ZINC000459657566 823242033 /nfs/dbraw/zinc/24/20/33/823242033.db2.gz XFHLTBVOKWHWPW-LSDHHAIUSA-N 1 0 397.544 4.137 20 0 GIADRO O=C(N[C@@H](C1CC1)C(F)(F)F)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000571835586 823242161 /nfs/dbraw/zinc/24/21/61/823242161.db2.gz BCFRJUJXIRDKFQ-ICSRJNTNSA-N 1 0 395.469 4.025 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2c(C)onc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000188465594 823244956 /nfs/dbraw/zinc/24/49/56/823244956.db2.gz NRLBTUXEACUOHV-CQSZACIVSA-N 1 0 395.425 4.083 20 0 GIADRO CCN(C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@H](C)c1cccnc1 ZINC000571848958 823245193 /nfs/dbraw/zinc/24/51/93/823245193.db2.gz XRGFZLGXPPCQKW-IFMALSPDSA-N 1 0 394.563 4.476 20 0 GIADRO Cc1ccc([C@H]([NH2+]Cc2cnc(N3CCOCC3)c(F)c2)C2CCCC2)cc1 ZINC000188468605 823245332 /nfs/dbraw/zinc/24/53/32/823245332.db2.gz AMGOIRGTLFNVEI-JOCHJYFZSA-N 1 0 383.511 4.387 20 0 GIADRO Cc1sc(CC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)nc1C(C)C ZINC000571849499 823245351 /nfs/dbraw/zinc/24/53/51/823245351.db2.gz TXJOTRYLDMWFKM-SJLPKXTDSA-N 1 0 377.598 4.230 20 0 GIADRO Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000459665810 823245749 /nfs/dbraw/zinc/24/57/49/823245749.db2.gz LKGFEBPXGLWIAX-QMTHXVAHSA-N 1 0 391.796 4.108 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)NCCCc2cccc(F)c2)[C@@H]1c1cccs1 ZINC000176601997 823245802 /nfs/dbraw/zinc/24/58/02/823245802.db2.gz FMGFOOHJVSKXES-YLJYHZDGSA-N 1 0 389.540 4.202 20 0 GIADRO Cc1cc(C[NH2+]C2CCN(C(=O)CC(C)(C)C)CC2)ccc1Br ZINC000459672043 823247710 /nfs/dbraw/zinc/24/77/10/823247710.db2.gz XAYCZXROOOKVIP-UHFFFAOYSA-N 1 0 381.358 4.274 20 0 GIADRO C[C@@H](NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1ccc(-c2cccnc2)cc1 ZINC000176605408 823246625 /nfs/dbraw/zinc/24/66/25/823246625.db2.gz HEOJHLQRAVJQIP-XXBNENTESA-N 1 0 392.547 4.470 20 0 GIADRO CCOC(=O)[C@]1(C(C)C)CC[N@H+](Cc2nc3cc(C(F)(F)F)ccc3o2)C1 ZINC000571871915 823248049 /nfs/dbraw/zinc/24/80/49/823248049.db2.gz PYEBCZFOODBJMS-GOSISDBHSA-N 1 0 384.398 4.258 20 0 GIADRO COC1CCC([NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)CC1 ZINC000459679533 823249363 /nfs/dbraw/zinc/24/93/63/823249363.db2.gz OLLCXUWSKSSQRU-UHFFFAOYSA-N 1 0 382.220 4.395 20 0 GIADRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)C(C)=C3CCCC3)CC2)c1C ZINC000176616829 823249823 /nfs/dbraw/zinc/24/98/23/823249823.db2.gz DIUONCWAINZCNT-UHFFFAOYSA-N 1 0 385.552 4.020 20 0 GIADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1 ZINC000121782089 823249980 /nfs/dbraw/zinc/24/99/80/823249980.db2.gz WHKDPRAVZVWNDN-BONVTDFDSA-N 1 0 384.332 4.459 20 0 GIADRO CN(CCC(F)(F)F)[C@@H](C[NH2+]CC[C@@H]1CCOC1)c1ccc(Cl)cc1 ZINC000571900206 823251334 /nfs/dbraw/zinc/25/13/34/823251334.db2.gz NRNDMTZSTIPJPK-PBHICJAKSA-N 1 0 378.866 4.282 20 0 GIADRO Brc1ccc(-c2cnc(CN3CC4(CCC4)[C@@H]4COC[C@H]43)o2)cc1 ZINC000459703801 823253556 /nfs/dbraw/zinc/25/35/56/823253556.db2.gz HHVQUFJGZWTRSD-HZPDHXFCSA-N 1 0 389.293 4.105 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N[C@@H](CC(F)(F)F)c1ccccc1 ZINC000057131388 823253603 /nfs/dbraw/zinc/25/36/03/823253603.db2.gz KEGMTBANCRLIQT-DLBZAZTESA-N 1 0 395.425 4.409 20 0 GIADRO COCC[C@H](Cc1cccc(F)c1)[NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000121800066 823254015 /nfs/dbraw/zinc/25/40/15/823254015.db2.gz UGNXVMDBXSJPRM-KSFYIVLOSA-N 1 0 384.495 4.473 20 0 GIADRO O=C(Nc1ccc(Cl)c(Br)c1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000176636838 823254658 /nfs/dbraw/zinc/25/46/58/823254658.db2.gz TXFWWSAFAKGBKR-CYBMUJFWSA-N 1 0 386.721 4.195 20 0 GIADRO CC[NH+]1CCC(NC(=O)N[C@@H](c2ccc(Br)cc2)C2CCC2)CC1 ZINC000057145117 823254830 /nfs/dbraw/zinc/25/48/30/823254830.db2.gz AHBYVWALDCILEH-GOSISDBHSA-N 1 0 394.357 4.074 20 0 GIADRO COc1cc(C[NH2+]C(C)(C)c2ccc(OC(F)(F)F)cc2)cc(OC)c1O ZINC000571925667 823255215 /nfs/dbraw/zinc/25/52/15/823255215.db2.gz UHLFLMXRKJKSAD-UHFFFAOYSA-N 1 0 385.382 4.333 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]CC2CCN(CC(F)(F)F)CC2)cc1 ZINC000188520526 823255414 /nfs/dbraw/zinc/25/54/14/823255414.db2.gz XTHNBEPKOXOLIJ-OAHLLOKOSA-N 1 0 380.458 4.106 20 0 GIADRO C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC000188519777 823255527 /nfs/dbraw/zinc/25/55/27/823255527.db2.gz FBOYCNJEYRHHTB-CQSZACIVSA-N 1 0 394.428 4.473 20 0 GIADRO COc1ccc([C@H]([NH2+]C[C@H]2CC(=O)N(C3CC3)C2)c2ccccc2Cl)cc1 ZINC000571930704 823256160 /nfs/dbraw/zinc/25/61/60/823256160.db2.gz QDHANPADRUVUGD-QRQCRPRQSA-N 1 0 384.907 4.039 20 0 GIADRO C[C@H]([NH2+]CC1(Cc2cccc(Cl)c2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000459722274 823256607 /nfs/dbraw/zinc/25/66/07/823256607.db2.gz WKBAUXZKUPISGP-HNNXBMFYSA-N 1 0 377.937 4.417 20 0 GIADRO Cc1ccc2[nH]c3c(c2c1)CN(C(=O)C1CC[NH+](Cc2ccccc2)CC1)CC3 ZINC000057155911 823256720 /nfs/dbraw/zinc/25/67/20/823256720.db2.gz OBLHZSURPODUHC-UHFFFAOYSA-N 1 0 387.527 4.273 20 0 GIADRO C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000121818376 823257510 /nfs/dbraw/zinc/25/75/10/823257510.db2.gz SFJXAWAWDDHILN-APWZRJJASA-N 1 0 388.943 4.325 20 0 GIADRO CN(C(=O)c1ccc(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)cc1)c1ccccc1 ZINC000121823243 823258179 /nfs/dbraw/zinc/25/81/79/823258179.db2.gz LJELUNHOPBUIAQ-NRFANRHFSA-N 1 0 395.547 4.059 20 0 GIADRO Cc1nc(CCC(=O)NCc2ccc(C[NH+](C)C)c(F)c2)oc1-c1ccccc1 ZINC000121825380 823258324 /nfs/dbraw/zinc/25/83/24/823258324.db2.gz BYBUYVDHYAXUBS-UHFFFAOYSA-N 1 0 395.478 4.100 20 0 GIADRO CCCCn1ncc(C(=O)Nc2ccc(C[NH+]3CCSCC3)cc2C)c1C ZINC000121829105 823258931 /nfs/dbraw/zinc/25/89/31/823258931.db2.gz OXNXEESDJSJRTH-UHFFFAOYSA-N 1 0 386.565 4.101 20 0 GIADRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)CCc3nc4ccccc4s3)cccc21 ZINC000571970306 823263050 /nfs/dbraw/zinc/26/30/50/823263050.db2.gz HEEXPCJATFGYKP-QGZVFWFLSA-N 1 0 381.501 4.253 20 0 GIADRO CCCC(=O)Nc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000057177110 823259647 /nfs/dbraw/zinc/25/96/47/823259647.db2.gz JFRXWRCDMMZFIY-IBGZPJMESA-N 1 0 379.504 4.276 20 0 GIADRO CCOC1CC(C[NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)C1 ZINC000459748935 823260080 /nfs/dbraw/zinc/26/00/80/823260080.db2.gz IISQUFKLMRRRKO-PLJVGYRVSA-N 1 0 382.523 4.198 20 0 GIADRO Cc1nc(CN[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)oc1C ZINC000459750700 823260340 /nfs/dbraw/zinc/26/03/40/823260340.db2.gz JPYZTKBJJVQNID-FCHUYYIVSA-N 1 0 379.479 4.188 20 0 GIADRO CC[NH+](CC)CCn1ccc2cc(NC(=O)c3cnc4cnccc4c3)ccc21 ZINC000409606303 823260355 /nfs/dbraw/zinc/26/03/55/823260355.db2.gz JABXJKQMDKILPU-UHFFFAOYSA-N 1 0 387.487 4.179 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCO[C@H]1c1cncc(Br)c1)C1CCC(F)(F)CC1 ZINC000459755857 823260972 /nfs/dbraw/zinc/26/09/72/823260972.db2.gz GEZJZXYRQARBNJ-XZJROXQQSA-N 1 0 389.284 4.478 20 0 GIADRO C[C@H]1OCC[C@]1(O)C[N@H+](Cc1csc(Br)c1)Cc1ccccc1 ZINC000571961353 823260975 /nfs/dbraw/zinc/26/09/75/823260975.db2.gz TWJRZDHSCZZOSO-KDOFPFPSSA-N 1 0 396.350 4.053 20 0 GIADRO CO[C@@H]1C[C@H]([NH2+]Cc2ncc(-c3cccc(Br)c3)o2)C12CCC2 ZINC000459756707 823261043 /nfs/dbraw/zinc/26/10/43/823261043.db2.gz KFYIFJJATCDSLX-JKSUJKDBSA-N 1 0 377.282 4.151 20 0 GIADRO Cc1ccc2cc(C[NH2+][C@@H]3CCO[C@H]3c3cncc(Br)c3)ccc2n1 ZINC000459757908 823261276 /nfs/dbraw/zinc/26/12/76/823261276.db2.gz HZSOGDBBMOXNEV-UXHICEINSA-N 1 0 398.304 4.321 20 0 GIADRO Fc1ccc(CC[NH2+][C@@H]2CCO[C@H]2c2cncc(Br)c2)c(Cl)c1 ZINC000459761118 823261624 /nfs/dbraw/zinc/26/16/24/823261624.db2.gz KTGMEWCROYKWTC-SJORKVTESA-N 1 0 399.691 4.299 20 0 GIADRO C[C@@H]1CCC[N@H+](CCNC(=O)c2sc3ccccc3c2Br)C1 ZINC000571964699 823261748 /nfs/dbraw/zinc/26/17/48/823261748.db2.gz ONBAFQLUEJEYJX-GFCCVEGCSA-N 1 0 381.339 4.126 20 0 GIADRO COCC[NH+]1CCC(NC(=O)N([C@@H](C)c2ccc3ccccc3c2)C2CC2)CC1 ZINC000121848637 823262366 /nfs/dbraw/zinc/26/23/66/823262366.db2.gz INMDPGOQDBXXRN-SFHVURJKSA-N 1 0 395.547 4.186 20 0 GIADRO C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)CC3CCCCCC3)cc2)CC1 ZINC000176667288 823262437 /nfs/dbraw/zinc/26/24/37/823262437.db2.gz FQXUJVDXFWVHTM-UHFFFAOYSA-N 1 0 386.540 4.201 20 0 GIADRO O=C(C[NH+]1CCCCCC1)Nc1cccc(NC(=O)c2ccoc2C2CC2)c1 ZINC000409616010 823262616 /nfs/dbraw/zinc/26/26/16/823262616.db2.gz BTYAHYZKXMVQRS-UHFFFAOYSA-N 1 0 381.476 4.224 20 0 GIADRO CC(C)c1ncc(C[NH2+][C@@H]2CCO[C@H]2c2cncc(Br)c2)s1 ZINC000459774921 823263500 /nfs/dbraw/zinc/26/35/00/823263500.db2.gz WSDOJNZDLNMUAP-CABCVRRESA-N 1 0 382.327 4.044 20 0 GIADRO O=C(Nc1cccc(-c2noc(C3CC3)n2)c1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000176670875 823263961 /nfs/dbraw/zinc/26/39/61/823263961.db2.gz JHRSFFCREVRFFX-UHFFFAOYSA-N 1 0 395.507 4.096 20 0 GIADRO CC1CC[NH+](CCCCNC(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)CC1 ZINC000176672509 823264168 /nfs/dbraw/zinc/26/41/68/823264168.db2.gz OUDPHRGOQVQQJG-UHFFFAOYSA-N 1 0 397.523 4.248 20 0 GIADRO COCC1(CNC(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)CCC1 ZINC000409624511 823264950 /nfs/dbraw/zinc/26/49/50/823264950.db2.gz SRXSGCSYDLQZSK-UHFFFAOYSA-N 1 0 395.547 4.031 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N1CCC(OCc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000459787106 823265186 /nfs/dbraw/zinc/26/51/86/823265186.db2.gz MUXPZBIQGMOUNE-QGZVFWFLSA-N 1 0 386.923 4.198 20 0 GIADRO CC(C)Oc1cccc(CN(C)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000121862802 823265495 /nfs/dbraw/zinc/26/54/95/823265495.db2.gz HWXXYXZNEOAGGC-UHFFFAOYSA-N 1 0 395.547 4.411 20 0 GIADRO Cc1ccc(CC(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)s1 ZINC000057216402 823265635 /nfs/dbraw/zinc/26/56/35/823265635.db2.gz ASQTZERGIIZGNF-UHFFFAOYSA-N 1 0 385.533 4.052 20 0 GIADRO CC(C)C[C@@H](Cc1cccc(Br)c1)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000176690741 823269038 /nfs/dbraw/zinc/26/90/38/823269038.db2.gz ZJBJWLZAQQAFRL-MSOLQXFVSA-N 1 0 395.385 4.064 20 0 GIADRO CC1(C)CC(NC(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)CC(C)(C)[NH2+]1 ZINC000176682044 823266405 /nfs/dbraw/zinc/26/64/05/823266405.db2.gz BPDMPAYHBALMKW-UHFFFAOYSA-N 1 0 383.496 4.045 20 0 GIADRO CCn1c2ccccc2c2cc([C@@H]3NC(=[NH2+])Nc4nc5ccccc5n43)ccc21 ZINC000004005222 817496517 /nfs/dbraw/zinc/49/65/17/817496517.db2.gz AWIDHKDTBUAXSO-OAQYLSRUSA-N 1 0 380.455 4.451 20 0 GIADRO C[C@H](CCCOc1ccccc1C(N)=O)[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000121871088 823267077 /nfs/dbraw/zinc/26/70/77/823267077.db2.gz RQOZTFZSJAHJQJ-KDOFPFPSSA-N 1 0 388.508 4.299 20 0 GIADRO Cc1oc(NC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nc1C1CC1 ZINC000571994587 823267312 /nfs/dbraw/zinc/26/73/12/823267312.db2.gz HKWKWUHZYCWNNX-BEFAXECRSA-N 1 0 382.508 4.377 20 0 GIADRO CC(C)OCC[NH+]1CCC(NC(=O)c2ccccc2Sc2ccccc2)CC1 ZINC000176689544 823268699 /nfs/dbraw/zinc/26/86/99/823268699.db2.gz MFTCXNAFPVUZOA-UHFFFAOYSA-N 1 0 398.572 4.457 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)NC[C@H]2CCCC(F)(F)C2)CC1 ZINC000409638574 823269682 /nfs/dbraw/zinc/26/96/82/823269682.db2.gz NYAWVKHFTPMRHX-KRWDZBQOSA-N 1 0 379.495 4.084 20 0 GIADRO COc1ccc(CN(Cc2ccco2)C2CC[NH+](C)CC2)cc1Br ZINC000572022189 823270319 /nfs/dbraw/zinc/27/03/19/823270319.db2.gz PHFJKUIOQABFNU-UHFFFAOYSA-N 1 0 393.325 4.147 20 0 GIADRO O=C(NCc1ccccc1N1CCCC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000057249748 823270807 /nfs/dbraw/zinc/27/08/07/823270807.db2.gz YCZJORPALDRIGK-UHFFFAOYSA-N 1 0 377.532 4.203 20 0 GIADRO O=C(Nc1ccc(OC2CCCC2)c(Cl)c1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000409646992 823272424 /nfs/dbraw/zinc/27/24/24/823272424.db2.gz YSXNWKBYIRRAEB-MSOLQXFVSA-N 1 0 377.916 4.410 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)Cc1ccc(Br)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000121901515 823273244 /nfs/dbraw/zinc/27/32/44/823273244.db2.gz ZELCMWSHAQUJNI-UONOGXRCSA-N 1 0 396.350 4.134 20 0 GIADRO CCC(=O)N1CC[C@@H]([NH2+][C@H](Cc2ccc(Cl)cc2)Cc2ccc(CC)cn2)C1 ZINC000572046425 823273665 /nfs/dbraw/zinc/27/36/65/823273665.db2.gz DTVILTWCFIVXDH-FGZHOGPDSA-N 1 0 399.966 4.052 20 0 GIADRO CC(C)n1ncc2cc(C[N@@H+]3CCCCC[C@H]3C[C@H](O)c3ccco3)cnc21 ZINC000121903839 823273857 /nfs/dbraw/zinc/27/38/57/823273857.db2.gz NOZZJCLZHQPNRT-PMACEKPBSA-N 1 0 382.508 4.474 20 0 GIADRO CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000188618421 823273897 /nfs/dbraw/zinc/27/38/97/823273897.db2.gz OSOZGMCNGQCYPV-FRQCXROJSA-N 1 0 389.458 4.098 20 0 GIADRO C[NH+](C)CCN(Cc1csc(-c2ccccn2)n1)Cc1ccc(F)c(F)c1 ZINC000572047322 823273966 /nfs/dbraw/zinc/27/39/66/823273966.db2.gz BHYNIBZFKQOWND-UHFFFAOYSA-N 1 0 388.487 4.047 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)CCc1cccc(Br)c1 ZINC000121906591 823274334 /nfs/dbraw/zinc/27/43/34/823274334.db2.gz CQTWYQYHEQRKCO-MRXNPFEDSA-N 1 0 381.358 4.153 20 0 GIADRO CO[C@H](C)c1nc(C)c(C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)s1 ZINC000176731108 823279799 /nfs/dbraw/zinc/27/97/99/823279799.db2.gz OWDHLQOGEGWBJZ-JKSUJKDBSA-N 1 0 387.549 4.114 20 0 GIADRO Cc1ccc(C)c(NC(=O)[C@H](C)[NH2+][C@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)c1 ZINC000572081574 823279865 /nfs/dbraw/zinc/27/98/65/823279865.db2.gz WMJGYNXQYDORGL-LRQRDZAKSA-N 1 0 385.939 4.319 20 0 GIADRO Cc1ccc(C)c(NC(=O)[C@H](C)[NH2+][C@@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000572081573 823279919 /nfs/dbraw/zinc/27/99/19/823279919.db2.gz WMJGYNXQYDORGL-LDQXTDLNSA-N 1 0 385.939 4.319 20 0 GIADRO Cc1cccnc1[C@H]([NH2+]C[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1)C(C)C ZINC000121911186 823275376 /nfs/dbraw/zinc/27/53/76/823275376.db2.gz ZRHWJGAUNDVSIE-FFZOFVMBSA-N 1 0 376.928 4.469 20 0 GIADRO O=C(Nc1cc(F)ccc1Br)NC1CC[NH+](CC2CCCC2)CC1 ZINC000176715968 823275643 /nfs/dbraw/zinc/27/56/43/823275643.db2.gz FCLAZQIFOWYMFB-UHFFFAOYSA-N 1 0 398.320 4.364 20 0 GIADRO Cc1c([C@@H](C)NC(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)cnn1C ZINC000057285803 823275811 /nfs/dbraw/zinc/27/58/11/823275811.db2.gz JWAQNFZPMMRVAA-QGZVFWFLSA-N 1 0 397.567 4.053 20 0 GIADRO Cc1cc(C)c(Br)c(C(=O)NCc2cccc(C[NH+](C)C)c2)c1 ZINC000121913551 823275859 /nfs/dbraw/zinc/27/58/59/823275859.db2.gz FLTAFGDPHKHJIJ-UHFFFAOYSA-N 1 0 375.310 4.058 20 0 GIADRO CC[N@H+](C)[C@@H](C(=O)NCc1cccc(COCC(F)(F)F)c1)c1ccccc1 ZINC000121914676 823276210 /nfs/dbraw/zinc/27/62/10/823276210.db2.gz FFKSFAKCWVFYBS-LJQANCHMSA-N 1 0 394.437 4.075 20 0 GIADRO CC(C)C(=O)N1CCC[N@H+](CC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000572063399 823276626 /nfs/dbraw/zinc/27/66/26/823276626.db2.gz WTGJNBILBYJVIG-UHFFFAOYSA-N 1 0 386.486 4.287 20 0 GIADRO CCCc1c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)[nH]c(C)c1C(C)=O ZINC000176722959 823277313 /nfs/dbraw/zinc/27/73/13/823277313.db2.gz WECPEPPUJWIHLP-OXQOHEQNSA-N 1 0 395.547 4.261 20 0 GIADRO Cc1ccc(C[C@H]([NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)c2ccccn2)cc1 ZINC000121922020 823277798 /nfs/dbraw/zinc/27/77/98/823277798.db2.gz UJRBGUPJCGYBMV-JPYJTQIMSA-N 1 0 394.540 4.428 20 0 GIADRO CCO[C@H]1C[C@@]([NH3+])(C(=O)Nc2nc(-c3ccc(F)c(Cl)c3)cs2)C1(C)C ZINC000572117029 823286023 /nfs/dbraw/zinc/28/60/23/823286023.db2.gz QFJNLPMTUZBPOL-KBXCAEBGSA-N 1 0 397.903 4.074 20 0 GIADRO C[NH+](C)CCOc1ccc(CNC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000409677160 823280710 /nfs/dbraw/zinc/28/07/10/823280710.db2.gz DASIVSKAIFMINP-UHFFFAOYSA-N 1 0 382.291 4.256 20 0 GIADRO Cc1cc(C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)cc(N2CCCC2)n1 ZINC000572085531 823280855 /nfs/dbraw/zinc/28/08/55/823280855.db2.gz PJFLGJFRSUEIKN-UHFFFAOYSA-N 1 0 381.520 4.235 20 0 GIADRO Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000572087029 823281241 /nfs/dbraw/zinc/28/12/41/823281241.db2.gz PTUNNYNGDVYJJY-NSHDSACASA-N 1 0 384.307 4.415 20 0 GIADRO CS(=O)(=O)c1ccc(-c2nc(C[NH2+][C@H]3CCCCC34CCCC4)co2)cc1 ZINC000572088715 823281497 /nfs/dbraw/zinc/28/14/97/823281497.db2.gz UJNCWIADTJCCHD-IBGZPJMESA-N 1 0 388.533 4.338 20 0 GIADRO CO[C@H](C)c1nc(C)c(C(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)s1 ZINC000176743236 823282815 /nfs/dbraw/zinc/28/28/15/823282815.db2.gz VDAZDJQSTZBSBU-GFCCVEGCSA-N 1 0 397.928 4.005 20 0 GIADRO CCOc1ccccc1CN(C)C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000121947082 823282825 /nfs/dbraw/zinc/28/28/25/823282825.db2.gz IQHNWHJFGRRJQM-UHFFFAOYSA-N 1 0 383.536 4.267 20 0 GIADRO CC(C)OCCN1CCC([NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000176748261 823283807 /nfs/dbraw/zinc/28/38/07/823283807.db2.gz QBDHZXUSCASZEA-UHFFFAOYSA-N 1 0 399.362 4.248 20 0 GIADRO CCC(CC)(CNC(=O)c1cnc2cnccc2c1)[NH2+][C@@H](C)c1ccccc1 ZINC000409690432 823283828 /nfs/dbraw/zinc/28/38/28/823283828.db2.gz FSYPCNZLBBTIQL-KRWDZBQOSA-N 1 0 376.504 4.269 20 0 GIADRO CN(CCC[NH+](C)C)C(=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2s1 ZINC000572119303 823285924 /nfs/dbraw/zinc/28/59/24/823285924.db2.gz NJVOTKRDYHPXPB-IBGZPJMESA-N 1 0 396.560 4.173 20 0 GIADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)C1 ZINC000572119904 823285957 /nfs/dbraw/zinc/28/59/57/823285957.db2.gz BUBYPAKGNXFEPH-GDBMZVCRSA-N 1 0 381.501 4.317 20 0 GIADRO O=C(NCc1nccs1)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000572155291 823291300 /nfs/dbraw/zinc/29/13/00/823291300.db2.gz DRFLKRGRXMKQDG-UHFFFAOYSA-N 1 0 376.551 4.043 20 0 GIADRO Cc1ncc(C[NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)n1-c1ccccc1 ZINC000176765949 823287242 /nfs/dbraw/zinc/28/72/42/823287242.db2.gz ZDEBZGQUXCDGQE-UHFFFAOYSA-N 1 0 393.878 4.216 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(CC3CCCC3)n2Cc2ccccc2)C1 ZINC000572138011 823288674 /nfs/dbraw/zinc/28/86/74/823288674.db2.gz ATOHYFBXGKCYEB-JOCHJYFZSA-N 1 0 395.595 4.227 20 0 GIADRO COc1cc(C[NH2+][C@H]2CCCOc3c(C)cc(Cl)cc32)ccc1OCCO ZINC000121987046 823288979 /nfs/dbraw/zinc/28/89/79/823288979.db2.gz FDLFZGQYCVNQNS-SFHVURJKSA-N 1 0 391.895 4.032 20 0 GIADRO Cc1cc2ccccc2n1CC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000007257752 817805388 /nfs/dbraw/zinc/80/53/88/817805388.db2.gz FIUWNSKJCKFSAI-UHFFFAOYSA-N 1 0 395.934 4.384 20 0 GIADRO C[NH+](C)CCCOc1ccc(CNC(=O)c2ccc(F)cc2C(F)(F)F)cc1 ZINC000121989879 823289656 /nfs/dbraw/zinc/28/96/56/823289656.db2.gz JVOJDTKPKGIJAS-UHFFFAOYSA-N 1 0 398.400 4.105 20 0 GIADRO C[C@H](Nc1ccc([NH+]2CCCCCC2)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000007286192 817811385 /nfs/dbraw/zinc/81/13/85/817811385.db2.gz GXUUNJHTKFCCRY-INIZCTEOSA-N 1 0 382.464 4.414 20 0 GIADRO Cc1ccncc1C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000460126937 823289869 /nfs/dbraw/zinc/28/98/69/823289869.db2.gz JJDKDVINZLMIFJ-APWZRJJASA-N 1 0 391.437 4.222 20 0 GIADRO C[C@H]([NH2+]C(C)(C)CNC(=O)N1CC2(CCC2)[C@H]1C1CCOCC1)c1ccccc1 ZINC000572150662 823290624 /nfs/dbraw/zinc/29/06/24/823290624.db2.gz AKFQSQKJTDSJRS-GHTZIAJQSA-N 1 0 399.579 4.107 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)NCCn2ccc3cc(Cl)ccc32)CC1 ZINC000572150430 823290755 /nfs/dbraw/zinc/29/07/55/823290755.db2.gz HKMYAFQFGRWAIV-UHFFFAOYSA-N 1 0 390.959 4.057 20 0 GIADRO CC(C)C[C@H](C)n1nccc1NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000460134320 823291921 /nfs/dbraw/zinc/29/19/21/823291921.db2.gz JOTPZSNOGQBIKT-HNNXBMFYSA-N 1 0 375.492 4.013 20 0 GIADRO S=C(NCCSc1ccccc1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000007402489 817831366 /nfs/dbraw/zinc/83/13/66/817831366.db2.gz IHSKRXBFNKRDFP-UHFFFAOYSA-N 1 0 399.629 4.429 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC(C)(C)c1cccs1 ZINC000176785362 823292028 /nfs/dbraw/zinc/29/20/28/823292028.db2.gz FFKORVUYQNPHRG-IBGZPJMESA-N 1 0 385.577 4.189 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccccc1OC(F)F)c1cccc(NS(C)(=O)=O)c1 ZINC000122007696 823292359 /nfs/dbraw/zinc/29/23/59/823292359.db2.gz WCEFRAXAAJLFRD-CHWSQXEVSA-N 1 0 384.448 4.071 20 0 GIADRO C[NH+](C)CCOc1ccccc1-c1noc(CO[C@H]2CCCc3ccccc32)n1 ZINC000572163488 823292663 /nfs/dbraw/zinc/29/26/63/823292663.db2.gz MBSYZTYBPLHFMP-FQEVSTJZSA-N 1 0 393.487 4.271 20 0 GIADRO Cc1ccc(Br)c(C)c1C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000572194815 823298034 /nfs/dbraw/zinc/29/80/34/823298034.db2.gz SGSJKYCBINGQLJ-MRXNPFEDSA-N 1 0 391.309 4.226 20 0 GIADRO CC(C)[NH+](CCNC(=O)Cc1csc(-c2ccc(Cl)s2)n1)C(C)C ZINC000057419440 823293790 /nfs/dbraw/zinc/29/37/90/823293790.db2.gz OXUWEAYQLFXGKM-UHFFFAOYSA-N 1 0 385.986 4.303 20 0 GIADRO COc1cc(CN(C)C(=O)C[N@@H+]2CCCC[C@H]2C)ccc1OCc1ccccc1 ZINC000007525147 817861557 /nfs/dbraw/zinc/86/15/57/817861557.db2.gz LVZIJJAENVADGC-LJQANCHMSA-N 1 0 396.531 4.107 20 0 GIADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N[C@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000460138932 823293893 /nfs/dbraw/zinc/29/38/93/823293893.db2.gz MMHMIENRKFAQPW-XIKOKIGWSA-N 1 0 382.335 4.228 20 0 GIADRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)C[C@@H]1C=CCCC1 ZINC000188727060 823294003 /nfs/dbraw/zinc/29/40/03/823294003.db2.gz YUMCRSNBIRYZSM-TZIWHRDSSA-N 1 0 378.520 4.323 20 0 GIADRO COc1cccc(NC(=S)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)c1 ZINC000007559722 817869494 /nfs/dbraw/zinc/86/94/94/817869494.db2.gz NYBUCFLURJXZMC-IBGZPJMESA-N 1 0 389.952 4.472 20 0 GIADRO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@H]1C[C@]12CCc1ccccc12 ZINC000572174319 823294562 /nfs/dbraw/zinc/29/45/62/823294562.db2.gz KDNGJSVEPXMTLA-NZJKTDFXSA-N 1 0 388.555 4.309 20 0 GIADRO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@]12CCc1ccccc12 ZINC000572174318 823294695 /nfs/dbraw/zinc/29/46/95/823294695.db2.gz KDNGJSVEPXMTLA-CVJWPJSTSA-N 1 0 388.555 4.309 20 0 GIADRO C[NH+](C)CCc1ccc(C(=O)Nc2ccc(-c3noc(C(F)F)n3)cc2)cc1 ZINC000572177706 823295308 /nfs/dbraw/zinc/29/53/08/823295308.db2.gz ZXUXEVZUXZZWLW-UHFFFAOYSA-N 1 0 386.402 4.031 20 0 GIADRO CC(=O)Nc1ccc(C)c(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)c1 ZINC000188749245 823297088 /nfs/dbraw/zinc/29/70/88/823297088.db2.gz ILSVFFDIPUWWTH-UHFFFAOYSA-N 1 0 395.503 4.070 20 0 GIADRO CC(C)CC(=O)Nc1ccc(C(=O)Nc2ccc(CC[NH+](C)C)cc2)cc1F ZINC000460155764 823300416 /nfs/dbraw/zinc/30/04/16/823300416.db2.gz PUFRFMTXXLAVGO-UHFFFAOYSA-N 1 0 385.483 4.167 20 0 GIADRO CC[NH+](CC)[C@H](C(=O)N(C)CCc1nccs1)c1cccc(C(F)(F)F)c1 ZINC000122062733 823300876 /nfs/dbraw/zinc/30/08/76/823300876.db2.gz DJBFZRXTUUAWBA-KRWDZBQOSA-N 1 0 399.482 4.246 20 0 GIADRO COC(C)(C)C[C@H](C)[NH2+][C@@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000122065706 823301217 /nfs/dbraw/zinc/30/12/17/823301217.db2.gz MUHIPRWPFBESHM-STQMWFEESA-N 1 0 376.419 4.096 20 0 GIADRO CCOC1CC(CC[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000188775829 823302672 /nfs/dbraw/zinc/30/26/72/823302672.db2.gz MGCPLQHPMQDVAF-UHFFFAOYSA-N 1 0 376.504 4.229 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(F)c(F)c2)cc1Br ZINC000007879206 817947500 /nfs/dbraw/zinc/94/75/00/817947500.db2.gz JHSNRAVJRBAENK-SNVBAGLBSA-N 1 0 399.235 4.025 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(C)c(C)c2)cc1Br ZINC000007879166 817947801 /nfs/dbraw/zinc/94/78/01/817947801.db2.gz CINXLKVVZIYRND-CQSZACIVSA-N 1 0 391.309 4.364 20 0 GIADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(C)(C)c2cccc(F)c2)c1 ZINC000572197506 823298423 /nfs/dbraw/zinc/29/84/23/823298423.db2.gz GIZOKXGDVBRBBB-UHFFFAOYSA-N 1 0 385.483 4.022 20 0 GIADRO COc1ccc2c(C[N@@H+](Cc3cccs3)C[C@@H]3CCCO3)cc(=O)oc2c1 ZINC000007927395 817961464 /nfs/dbraw/zinc/96/14/64/817961464.db2.gz PXRSKYKVTWJXQH-KRWDZBQOSA-N 1 0 385.485 4.044 20 0 GIADRO COc1cccc(C2(c3noc(-c4ccc(C[NH+]5CCCC5)cc4)n3)CC2)c1 ZINC000572204711 823299768 /nfs/dbraw/zinc/29/97/68/823299768.db2.gz BNFNJAIHRRXXBH-UHFFFAOYSA-N 1 0 375.472 4.421 20 0 GIADRO CC(C)[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1)c1ccc(C(C)(C)C)cc1 ZINC000008001303 817978564 /nfs/dbraw/zinc/97/85/64/817978564.db2.gz MRKSZQCVGAWBQU-KKSFZXQISA-N 1 0 395.547 4.397 20 0 GIADRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)N1CCC2(CCCC2)CC1 ZINC000572205761 823299936 /nfs/dbraw/zinc/29/99/36/823299936.db2.gz YKSBVJMFSBOPQC-GOSISDBHSA-N 1 0 375.582 4.326 20 0 GIADRO Fc1cccc(-c2noc([C@H]3CCC[N@H+](Cc4ccc5c(n4)CCC5)C3)n2)c1 ZINC000572220728 823303482 /nfs/dbraw/zinc/30/34/82/823303482.db2.gz YGMIIZIBXFIQKQ-KRWDZBQOSA-N 1 0 378.451 4.139 20 0 GIADRO COc1ccccc1C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1F)C(C)C ZINC000572205573 823300233 /nfs/dbraw/zinc/30/02/33/823300233.db2.gz PTWXDTFFUWPIEM-QGZVFWFLSA-N 1 0 378.875 4.283 20 0 GIADRO CCOC1CC(CC[NH2+]C2CCN(Cc3ccccc3Br)CC2)C1 ZINC000188778913 823303558 /nfs/dbraw/zinc/30/35/58/823303558.db2.gz FAECVXZHEATYCE-UHFFFAOYSA-N 1 0 395.385 4.208 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)COc2ccc3oc4c(c3c2)CCCC4)cc1 ZINC000008062837 817991933 /nfs/dbraw/zinc/99/19/33/817991933.db2.gz UUHFXYIUKMGIAK-UHFFFAOYSA-N 1 0 392.499 4.068 20 0 GIADRO CC(=O)N1CCC[C@H](C[NH2+]Cc2cnn(C3CCCC3)c2-c2ccccc2)C1 ZINC000572233387 823305474 /nfs/dbraw/zinc/30/54/74/823305474.db2.gz JRBNUFHXTGUBAO-LJQANCHMSA-N 1 0 380.536 4.013 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)CSc2ccccc2Cl)CC1 ZINC000057511819 823305731 /nfs/dbraw/zinc/30/57/31/823305731.db2.gz ZJJOQLXHXWIRQV-UHFFFAOYSA-N 1 0 389.952 4.213 20 0 GIADRO COC(=O)c1ccc(C)c(NC(=O)C[NH2+][C@@H](C)c2cccc3ccccc32)c1 ZINC000008268411 818027353 /nfs/dbraw/zinc/02/73/53/818027353.db2.gz JFWKFMIFWOQVGA-INIZCTEOSA-N 1 0 376.456 4.224 20 0 GIADRO Cc1ncsc1/C=C/C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000188791425 823306517 /nfs/dbraw/zinc/30/65/17/823306517.db2.gz IMMRPLNWGLSGTR-IWAYRVGRSA-N 1 0 375.925 4.071 20 0 GIADRO Fc1ccc(C[N@@H+]2CCCN(c3ncnc4sc5c(c43)CCC5)CC2)cc1 ZINC000011172505 818058770 /nfs/dbraw/zinc/05/87/70/818058770.db2.gz NIDXIVZYQMPQIK-UHFFFAOYSA-N 1 0 382.508 4.031 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000572261507 823309272 /nfs/dbraw/zinc/30/92/72/823309272.db2.gz KMNRFWORPOGNPQ-JTSKRJEESA-N 1 0 398.576 4.273 20 0 GIADRO Cc1cc(NC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c(C#N)cc1N(C)C ZINC000572261304 823309347 /nfs/dbraw/zinc/30/93/47/823309347.db2.gz SDENGSKBPGLQMT-RBUKOAKNSA-N 1 0 397.567 4.051 20 0 GIADRO CCc1ccsc1C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000176852696 823309852 /nfs/dbraw/zinc/30/98/52/823309852.db2.gz LVDGNGBJLKSJBI-UHFFFAOYSA-N 1 0 386.561 4.112 20 0 GIADRO COc1ccc(C[C@H](C)C[NH2+]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)cc1F ZINC000188807203 823309843 /nfs/dbraw/zinc/30/98/43/823309843.db2.gz VMLAEEIAUGMHQP-YEWWUXTCSA-N 1 0 377.422 4.086 20 0 GIADRO COc1ccc(C[C@H](C)C[NH2+]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)cc1F ZINC000188807244 823310057 /nfs/dbraw/zinc/31/00/57/823310057.db2.gz VMLAEEIAUGMHQP-DHSIGJKJSA-N 1 0 377.422 4.086 20 0 GIADRO O[C@H]1CC[C@@H](C[NH2+]Cc2ccc(OCc3ccccc3)c(Br)c2)C1 ZINC000188808994 823310281 /nfs/dbraw/zinc/31/02/81/823310281.db2.gz CNAXCBNDYKSROQ-AEFFLSMTSA-N 1 0 390.321 4.279 20 0 GIADRO CCc1ccc(CC)c(NC(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000122130014 823310829 /nfs/dbraw/zinc/31/08/29/823310829.db2.gz FAPACVFHGFUTMJ-UHFFFAOYSA-N 1 0 387.568 4.168 20 0 GIADRO Cc1ccc(-c2cnc(CCC(=O)NCc3ccc(C[NH+](C)C)c(F)c3)o2)cc1 ZINC000122161747 823314905 /nfs/dbraw/zinc/31/49/05/823314905.db2.gz USEGLBDNISQURC-UHFFFAOYSA-N 1 0 395.478 4.100 20 0 GIADRO O=C(CCC(F)(F)F)N1CCC[C@@H]([NH2+][C@H](c2ccco2)c2ccccc2)C1 ZINC000572270224 823311136 /nfs/dbraw/zinc/31/11/36/823311136.db2.gz MDUOYQJSBNRXAF-APWZRJJASA-N 1 0 380.410 4.292 20 0 GIADRO CCn1c(-c2ccoc2)nnc1N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000460200864 823314952 /nfs/dbraw/zinc/31/49/52/823314952.db2.gz GDFCYUUXKNSBBD-HSZRJFAPSA-N 1 0 391.519 4.051 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CCSc2ccc(F)cc21)c1cccs1 ZINC000011642113 818102708 /nfs/dbraw/zinc/10/27/08/818102708.db2.gz LHMWWHXMHXZMOF-CABCVRRESA-N 1 0 379.526 4.026 20 0 GIADRO C[NH+](C)CCOc1ccccc1-c1noc(C(C)(C)c2cc(F)cc(C#N)c2)n1 ZINC000572283110 823312852 /nfs/dbraw/zinc/31/28/52/823312852.db2.gz GBLVJKAIXQVIDS-UHFFFAOYSA-N 1 0 394.450 4.014 20 0 GIADRO COc1ccc(C[N@H+](CC(=O)N(C)Cc2ccc(F)cc2)[C@@H](C)C2CC2)cc1 ZINC000057601682 823313368 /nfs/dbraw/zinc/31/33/68/823313368.db2.gz KRJDQJYILKOXGL-KRWDZBQOSA-N 1 0 384.495 4.093 20 0 GIADRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cn(-c2ccccc2)nc1C(C)(C)C ZINC000011920971 818129033 /nfs/dbraw/zinc/12/90/33/818129033.db2.gz HZBPAECKWUZEFQ-SFHVURJKSA-N 1 0 384.568 4.410 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)CCC(=O)c3ccc(C)c(C)c3)cc2)CC1 ZINC000011952611 818131840 /nfs/dbraw/zinc/13/18/40/818131840.db2.gz YHYDTOQTOURWSV-UHFFFAOYSA-N 1 0 393.531 4.047 20 0 GIADRO C[C@@H](NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)c1ccc(Br)cc1 ZINC000057606750 823314177 /nfs/dbraw/zinc/31/41/77/823314177.db2.gz ALHFQWSLOXEUSB-CQSZACIVSA-N 1 0 382.346 4.026 20 0 GIADRO O=C(c1ccccc1-c1ncc(-c2ccccc2F)o1)N1CC[NH+]2CCC1CC2 ZINC000188836661 823315559 /nfs/dbraw/zinc/31/55/59/823315559.db2.gz FZFPZSUIRKLHDO-UHFFFAOYSA-N 1 0 391.446 4.068 20 0 GIADRO Cc1cc(C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c(C)n1Cc1ccccn1 ZINC000122167449 823315751 /nfs/dbraw/zinc/31/57/51/823315751.db2.gz YWTCFBMUJLVGOJ-KDURUIRLSA-N 1 0 396.579 4.036 20 0 GIADRO Cc1cc(NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)c2cc(F)ccc2[nH+]1 ZINC000122169323 823316172 /nfs/dbraw/zinc/31/61/72/823316172.db2.gz UGDLSCSTOGMJKV-NRFANRHFSA-N 1 0 379.435 4.412 20 0 GIADRO Cc1ccc(C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)c2ccccn2)cc1 ZINC000460205844 823316690 /nfs/dbraw/zinc/31/66/90/823316690.db2.gz XYQSVCRTGNRMIN-QFIPXVFZSA-N 1 0 379.548 4.302 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1cc(O)ccc1C(F)(F)F)c1ccccc1 ZINC000188846932 823316679 /nfs/dbraw/zinc/31/66/79/823316679.db2.gz DARBCLPIXWAJOQ-GOSISDBHSA-N 1 0 380.410 4.224 20 0 GIADRO Cc1cccc(C2(C(=O)NC3CC[NH+]([C@@H]4CCCC[C@H]4O)CC3)CCCCC2)c1 ZINC000122176630 823317047 /nfs/dbraw/zinc/31/70/47/823317047.db2.gz KLKICRCXYRDPGU-DHIUTWEWSA-N 1 0 398.591 4.081 20 0 GIADRO CSc1ccccc1[C@@H](C)[NH2+][C@@H](C)C(=O)NCCc1c[nH]c2ccccc12 ZINC000409835042 823320480 /nfs/dbraw/zinc/32/04/80/823320480.db2.gz GQSZHPBOLCVZOL-CVEARBPZSA-N 1 0 381.545 4.288 20 0 GIADRO O=C(Cc1cccc(OC(F)F)c1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000409839613 823321929 /nfs/dbraw/zinc/32/19/29/823321929.db2.gz APMFIQQDYKEHGO-UHFFFAOYSA-N 1 0 388.458 4.498 20 0 GIADRO Cc1ccc2nc(C[N@@H+]3CCC[C@H](c4nc(-c5ccc(F)cc5)no4)C3)cn2c1 ZINC000176909668 823322033 /nfs/dbraw/zinc/32/20/33/823322033.db2.gz DUTOFQRJJSTKKJ-KRWDZBQOSA-N 1 0 391.450 4.211 20 0 GIADRO CS[C@H](C)CC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000122218164 823322843 /nfs/dbraw/zinc/32/28/43/823322843.db2.gz NJCMLLFLVSUJGL-DDUZABMNSA-N 1 0 388.499 4.346 20 0 GIADRO COc1ccc(OC)c(-c2csc(NC(=O)[C@@H]3CCCCCC[C@@H]3[NH3+])n2)c1 ZINC000572355434 823326313 /nfs/dbraw/zinc/32/63/13/823326313.db2.gz NSBSZONNZKEBBE-ZBFHGGJFSA-N 1 0 389.521 4.064 20 0 GIADRO CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2cc(C[NH+](C)C)ccn2)c1 ZINC000176915687 823323533 /nfs/dbraw/zinc/32/35/33/823323533.db2.gz CUAVGVLLKWSQEM-UHFFFAOYSA-N 1 0 388.899 4.034 20 0 GIADRO Cc1cc(NC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)ccc1-c1ccccc1 ZINC000460236274 823326393 /nfs/dbraw/zinc/32/63/93/823326393.db2.gz JBJBARMTIJVJLV-FQEVSTJZSA-N 1 0 393.531 4.238 20 0 GIADRO COCCOc1ccc(C[NH2+][C@@H](Cc2cccnc2)c2cccc(Cl)c2)cn1 ZINC000572338175 823323935 /nfs/dbraw/zinc/32/39/35/823323935.db2.gz XWDCQXDGBPUYRK-NRFANRHFSA-N 1 0 397.906 4.229 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1ccc(Cl)cc1OC(F)F)c1cccs1 ZINC000460236801 823326514 /nfs/dbraw/zinc/32/65/14/823326514.db2.gz LYCMBXMMUDQNSS-GFCCVEGCSA-N 1 0 389.855 4.427 20 0 GIADRO COc1ccc(C(=O)Nc2cccc(CNCCC[NH+]3CCC(C)CC3)c2)cc1 ZINC000015186030 818297691 /nfs/dbraw/zinc/29/76/91/818297691.db2.gz ZRIOGKVVXDCPMV-UHFFFAOYSA-N 1 0 395.547 4.159 20 0 GIADRO CCC(CC)(CNC(=O)N1CC[C@H](n2cc(C)cn2)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000460237834 823326961 /nfs/dbraw/zinc/32/69/61/823326961.db2.gz BMCLMEVYSLCXEF-FPOVZHCZSA-N 1 0 397.567 4.058 20 0 GIADRO CN(C)c1cc[n+](C(C(=O)c2ccccc2)C(=S)Nc2ccc(F)cc2)cc1 ZINC000015244628 818302265 /nfs/dbraw/zinc/30/22/65/818302265.db2.gz BKJAXMGUFCGXLX-UHFFFAOYSA-O 1 0 394.495 4.230 20 0 GIADRO Cn1c2ccc(CNC(=O)CC[C@@H]([NH3+])CC3CCCCC3)cc2nc1C1CC1 ZINC000572361465 823327712 /nfs/dbraw/zinc/32/77/12/823327712.db2.gz NJSXPMROQSVCMH-LJQANCHMSA-N 1 0 382.552 4.145 20 0 GIADRO Cc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H]1CCOc2c(Br)cccc21 ZINC000409857963 823327850 /nfs/dbraw/zinc/32/78/50/823327850.db2.gz OFSYUDPYZTUBFL-CXAGYDPISA-N 1 0 389.293 4.198 20 0 GIADRO O=C(/C=C/c1nc2ccccc2s1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000015477092 818327714 /nfs/dbraw/zinc/32/77/14/818327714.db2.gz GOHGJOHLAVHOQA-SXSDINLZSA-N 1 0 381.501 4.246 20 0 GIADRO CC[C@H]1c2ccsc2CC[N@H+]1CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000015547518 818337031 /nfs/dbraw/zinc/33/70/31/818337031.db2.gz LLGBHODEJMQVMF-IBGZPJMESA-N 1 0 397.544 4.213 20 0 GIADRO Cc1ccnc(-n2c(=O)c3ccccc3nc2SCC[C@H]2CCCC[N@H+]2C)c1 ZINC000057763659 823329652 /nfs/dbraw/zinc/32/96/52/823329652.db2.gz SKUMMFUNMZHZNC-QGZVFWFLSA-N 1 0 394.544 4.056 20 0 GIADRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C2SCCS2)cc1 ZINC000015603382 818345855 /nfs/dbraw/zinc/34/58/55/818345855.db2.gz XUOYWYZLZCSLDW-LJQANCHMSA-N 1 0 384.570 4.170 20 0 GIADRO CC[NH+](CC)CCOc1cc(NC(=O)N2C[C@@H]3CCCC[C@@H]3C2)ccc1OC ZINC000176942905 823330613 /nfs/dbraw/zinc/33/06/13/823330613.db2.gz DXPRKUGKPCRVOA-HDICACEKSA-N 1 0 389.540 4.070 20 0 GIADRO CC[NH+](CC)CCOc1cc(NC(=O)N2C[C@@H]3CCCC[C@H]3C2)ccc1OC ZINC000176942925 823330722 /nfs/dbraw/zinc/33/07/22/823330722.db2.gz DXPRKUGKPCRVOA-ROUUACIJSA-N 1 0 389.540 4.070 20 0 GIADRO C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@@H]2C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)o1 ZINC000409872639 823332273 /nfs/dbraw/zinc/33/22/73/823332273.db2.gz BMTPXSRFUBDRPL-SEVLPDGMSA-N 1 0 392.543 4.460 20 0 GIADRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)CCc1ccc(OC)c(Cl)c1)c1ccco1 ZINC000572387233 823331133 /nfs/dbraw/zinc/33/11/33/823331133.db2.gz RSEONFAKJJZIKL-PBHICJAKSA-N 1 0 378.900 4.120 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)CCc1ccc([C@H]2C[C@H]2C)o1)[NH+]1CCCC1 ZINC000057789444 823333332 /nfs/dbraw/zinc/33/33/32/823333332.db2.gz AFRIMRKTTXZBGP-QMMLZNLJSA-N 1 0 396.531 4.298 20 0 GIADRO CCOC(=O)c1cnn(C2CC[NH+]([C@H](C)CCc3cccc(F)c3)CC2)c1C ZINC000572408269 823333942 /nfs/dbraw/zinc/33/39/42/823333942.db2.gz PBICJEZKHFKNNU-MRXNPFEDSA-N 1 0 387.499 4.166 20 0 GIADRO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[N@@H+]1CCC[C@H]1c1cccc(C)c1C ZINC000122319054 823337393 /nfs/dbraw/zinc/33/73/93/823337393.db2.gz XGHIMYMULUGVBW-UNMCSNQZSA-N 1 0 397.515 4.091 20 0 GIADRO COc1ccccc1[C@H]1CC[N@H+](C[C@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC000572409343 823334198 /nfs/dbraw/zinc/33/41/98/823334198.db2.gz JVISGYUOXMKRFG-ICSRJNTNSA-N 1 0 383.532 4.222 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)N2CCC(c3nc4cccc(C)c4o3)CC2)CC1 ZINC000188958807 823334254 /nfs/dbraw/zinc/33/42/54/823334254.db2.gz BXPUJFYBHMILNS-UHFFFAOYSA-N 1 0 398.551 4.147 20 0 GIADRO COc1ccccc1[C@@H](CNC(=S)Nc1ccccc1Cl)[NH+]1CCCC1 ZINC000016241273 818408874 /nfs/dbraw/zinc/40/88/74/818408874.db2.gz RJKWTODYHQWFFA-GOSISDBHSA-N 1 0 389.952 4.472 20 0 GIADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1cccc([C@@H](C)OC)c1 ZINC000176958992 823334881 /nfs/dbraw/zinc/33/48/81/823334881.db2.gz OHEHZCCROHFMKX-XMSQKQJNSA-N 1 0 396.535 4.307 20 0 GIADRO Cc1cc(NC(=O)N[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)n(C2CC[NH+](C)CC2)n1 ZINC000572429107 823337523 /nfs/dbraw/zinc/33/75/23/823337523.db2.gz NJDDDQHUTGXBAB-KFKAGJAMSA-N 1 0 375.561 4.041 20 0 GIADRO COCOc1ccc(OC)cc1C[NH2+][C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000122303652 823335134 /nfs/dbraw/zinc/33/51/34/823335134.db2.gz BNRURUPHEWVYIS-IBGZPJMESA-N 1 0 393.430 4.447 20 0 GIADRO CC(C)[C@@H](NC(=O)C[N@H+](C)[C@@H](C)c1ccccc1)c1ccc2c(c1)OCCCO2 ZINC000016345389 818426564 /nfs/dbraw/zinc/42/65/64/818426564.db2.gz JYXJXZJWLZRWQM-MHECFPHRSA-N 1 0 396.531 4.354 20 0 GIADRO Cn1cc(C[N@@H+]2CC3(CCC3)[C@H]2C2CC2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000572417748 823336036 /nfs/dbraw/zinc/33/60/36/823336036.db2.gz IWUSCZIRKOFHCS-JOCHJYFZSA-N 1 0 379.504 4.013 20 0 GIADRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2csc(COc3ccc(C)cc3)n2)cc1 ZINC000188970070 823336126 /nfs/dbraw/zinc/33/61/26/823336126.db2.gz UXWGDVIGFKWODY-IBGZPJMESA-N 1 0 382.529 4.032 20 0 GIADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1ccc(CSC)cc1 ZINC000176963920 823336127 /nfs/dbraw/zinc/33/61/27/823336127.db2.gz JUYAASJAEHVLRZ-OAQYLSRUSA-N 1 0 398.576 4.463 20 0 GIADRO O=C(NCc1ccccc1)C1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000016396240 818434654 /nfs/dbraw/zinc/43/46/54/818434654.db2.gz CXNFHMSAXVMMSY-UHFFFAOYSA-N 1 0 376.422 4.234 20 0 GIADRO Cc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1NC(=O)N[C@H]1CC[NH2+]C1 ZINC000572424625 823336713 /nfs/dbraw/zinc/33/67/13/823336713.db2.gz NBPUEPZSSKFJLV-KRWDZBQOSA-N 1 0 395.482 4.215 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N[C@@H]2CCc3cc(N)ccc32)cc1 ZINC000572424879 823336929 /nfs/dbraw/zinc/33/69/29/823336929.db2.gz WJZDCFQTMMIMDG-GAJHUEQPSA-N 1 0 392.547 4.130 20 0 GIADRO CSc1cccc(F)c1C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000409890103 823336970 /nfs/dbraw/zinc/33/69/70/823336970.db2.gz GTLQMYDLJXAXJN-UHFFFAOYSA-N 1 0 387.524 4.321 20 0 GIADRO C[C@H](CNC(=O)N(C)[C@H]1CC[C@@H](C(F)(F)F)CC1)[N@H+](C)Cc1ccccc1 ZINC000460278911 823338077 /nfs/dbraw/zinc/33/80/77/823338077.db2.gz ZPPGQQKASHJFIU-NXHRZFHOSA-N 1 0 385.474 4.269 20 0 GIADRO C[C@@H](CNC(=O)N(C)[C@H]1CC[C@@H](C(F)(F)F)CC1)[N@H+](C)Cc1ccccc1 ZINC000460278912 823338166 /nfs/dbraw/zinc/33/81/66/823338166.db2.gz ZPPGQQKASHJFIU-RYQLBKOJSA-N 1 0 385.474 4.269 20 0 GIADRO O=C(c1cnc2cnccc2c1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000409895190 823338216 /nfs/dbraw/zinc/33/82/16/823338216.db2.gz FNWGNNZQFVFPKO-UHFFFAOYSA-N 1 0 394.906 4.021 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1cc(-c2ccncc2)nc2ccccc21)c1ccccc1 ZINC000016599391 818459082 /nfs/dbraw/zinc/45/90/82/818459082.db2.gz DYHFPSJMKHNTKO-XMMPIXPASA-N 1 0 396.494 4.330 20 0 GIADRO CN(c1ccc(NC(=O)C2(Cc3ccccc3)CC2)cc1)C1CC[NH+](C)CC1 ZINC000176970666 823338407 /nfs/dbraw/zinc/33/84/07/823338407.db2.gz NAXFZJOKBFUTCB-UHFFFAOYSA-N 1 0 377.532 4.178 20 0 GIADRO CCOc1ccccc1NC(=O)[C@H]([NH2+]CC1(COC)CCC1)c1ccccc1 ZINC000409899694 823339573 /nfs/dbraw/zinc/33/95/73/823339573.db2.gz OXOHMBUNNPUMJS-OAQYLSRUSA-N 1 0 382.504 4.171 20 0 GIADRO C[N@H+](CCc1cccc(NC(=O)C(C)(C)Cc2nc3ccccc3[nH]2)c1)C1CC1 ZINC000409901271 823339735 /nfs/dbraw/zinc/33/97/35/823339735.db2.gz CNNXJRRWNZHVBD-UHFFFAOYSA-N 1 0 390.531 4.407 20 0 GIADRO S=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)Nc1cccc(Br)c1 ZINC000016943672 818489999 /nfs/dbraw/zinc/48/99/99/818489999.db2.gz FSKBTLMTNZAVOU-HNNXBMFYSA-N 1 0 394.338 4.166 20 0 GIADRO O=C(NCc1ccccc1F)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000017117517 818500381 /nfs/dbraw/zinc/50/03/81/818500381.db2.gz DILVMXPTPXZBCQ-UHFFFAOYSA-N 1 0 377.463 4.006 20 0 GIADRO CC(C)n1cnc(C(=O)N[C@H]2CCN(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000409905239 823340878 /nfs/dbraw/zinc/34/08/78/823340878.db2.gz VTWYJDFOQLAVLU-HKUYNNGSSA-N 1 0 392.906 4.210 20 0 GIADRO COc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]CC(C)C)cc1OC ZINC000017310317 818507842 /nfs/dbraw/zinc/50/78/42/818507842.db2.gz JUNDZEVRCAYQGY-UHFFFAOYSA-N 1 0 379.504 4.361 20 0 GIADRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1occc1Br ZINC000176981396 823341504 /nfs/dbraw/zinc/34/15/04/823341504.db2.gz KFNIIHVCKLCYQO-UHFFFAOYSA-N 1 0 395.322 4.152 20 0 GIADRO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000122344477 823341483 /nfs/dbraw/zinc/34/14/83/823341483.db2.gz BIBCAHYIPQFBGP-QGZVFWFLSA-N 1 0 383.584 4.332 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc(Cl)nc2ccccc21 ZINC000017362965 818512530 /nfs/dbraw/zinc/51/25/30/818512530.db2.gz JOCGBXPCTVBKFE-UHFFFAOYSA-N 1 0 379.891 4.283 20 0 GIADRO CC1CC[NH+]([C@H](CNC(=O)N(Cc2ccccn2)C2CC2)c2ccccc2)CC1 ZINC000057855107 823341892 /nfs/dbraw/zinc/34/18/92/823341892.db2.gz YLUNLKWJDKGAEV-HSZRJFAPSA-N 1 0 392.547 4.229 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(C(=O)c3ccccc3)c2)C1 ZINC000176984313 823342282 /nfs/dbraw/zinc/34/22/82/823342282.db2.gz HPUNGZBNNROLMQ-GOSISDBHSA-N 1 0 379.504 4.113 20 0 GIADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)Nc2ccc3c(c2)OC(C)(C)O3)C1 ZINC000057856794 823342594 /nfs/dbraw/zinc/34/25/94/823342594.db2.gz SOYRIPRXJHEPQD-HZPDHXFCSA-N 1 0 375.513 4.074 20 0 GIADRO COc1ccc([C@@H](CNC(=O)c2ccc3c(c2)CCCC3)[NH+]2CCCC2)cc1 ZINC000017911750 818532909 /nfs/dbraw/zinc/53/29/09/818532909.db2.gz URSNFXLKZIWNIO-HSZRJFAPSA-N 1 0 378.516 4.141 20 0 GIADRO CCOc1cccc2cc([C@H](C)NC(=O)Nc3cccc4c3CC[NH2+]C4)oc21 ZINC000572465147 823345160 /nfs/dbraw/zinc/34/51/60/823345160.db2.gz BYBHMAKGWXYUIE-AWEZNQCLSA-N 1 0 379.460 4.360 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCc2cc(F)cc(F)c2)C1 ZINC000057889608 823345329 /nfs/dbraw/zinc/34/53/29/823345329.db2.gz LYCBQVIUGNFMEF-INIZCTEOSA-N 1 0 387.474 4.196 20 0 GIADRO Cc1ccc(NC(=O)CC2CC(c3ccccc3)C2)cc1NC(=O)CC[NH+](C)C ZINC000409925188 823345371 /nfs/dbraw/zinc/34/53/71/823345371.db2.gz QUDIIDRNAMYMBO-UHFFFAOYSA-N 1 0 393.531 4.408 20 0 GIADRO COc1cccc(N2CC[C@@H](C[NH2+][C@H](C)Cc3ccc(OC)c(OC)c3C)C2)c1 ZINC000572468838 823345421 /nfs/dbraw/zinc/34/54/21/823345421.db2.gz MEUQIHLSHBTUPN-MJGOQNOKSA-N 1 0 398.547 4.068 20 0 GIADRO CSc1ccc(NC(=O)[C@@H](C)N2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000057889353 823345455 /nfs/dbraw/zinc/34/54/55/823345455.db2.gz LHKJOIIQDIQDSV-GOSISDBHSA-N 1 0 389.609 4.324 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2csc(C(F)(F)F)n2)CC1 ZINC000189034621 823345561 /nfs/dbraw/zinc/34/55/61/823345561.db2.gz UCLKFKSSRRRTQZ-GFCCVEGCSA-N 1 0 383.439 4.117 20 0 GIADRO C[N@H+](CCCNC(=O)COc1ccc(Cl)cc1Cl)Cc1ccccc1 ZINC000018232642 818558922 /nfs/dbraw/zinc/55/89/22/818558922.db2.gz WCZISHXRUFRBEC-UHFFFAOYSA-N 1 0 381.303 4.011 20 0 GIADRO CCN(c1nnc(-c2ccoc2)n1CC)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000460304069 823346536 /nfs/dbraw/zinc/34/65/36/823346536.db2.gz ODTXLXHCGDHPCE-PXNSSMCTSA-N 1 0 379.508 4.220 20 0 GIADRO OCC1([C@H]([NH2+]Cc2csc(Br)c2)c2ccccc2)CCOCC1 ZINC000412012351 823622695 /nfs/dbraw/zinc/62/26/95/823622695.db2.gz XHIXIELWVQQLEZ-QGZVFWFLSA-N 1 0 396.350 4.131 20 0 GIADRO COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000572479575 823347349 /nfs/dbraw/zinc/34/73/49/823347349.db2.gz VHGFNZLMKXIMSQ-RRPUWOKSSA-N 1 0 379.504 4.096 20 0 GIADRO CC[N@H+](C)[C@H](C(=O)NCc1cccc(COCc2ccco2)c1)c1ccccc1 ZINC000057911907 823347600 /nfs/dbraw/zinc/34/76/00/823347600.db2.gz DPFRDQPFOGNLHD-QHCPKHFHSA-N 1 0 392.499 4.306 20 0 GIADRO CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460309053 823348174 /nfs/dbraw/zinc/34/81/74/823348174.db2.gz SMDVZOXKTMQNFE-ZFWWWQNUSA-N 1 0 394.350 4.335 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccc(Br)s1 ZINC000189050374 823348461 /nfs/dbraw/zinc/34/84/61/823348461.db2.gz LFHHYNNJNDGWQQ-SMDDNHRTSA-N 1 0 397.313 4.101 20 0 GIADRO CC[C@H](C)C(=O)Nc1cccc(C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)c1 ZINC000189069889 823351889 /nfs/dbraw/zinc/35/18/89/823351889.db2.gz NFCOQJRCULSZTL-KRWDZBQOSA-N 1 0 394.494 4.345 20 0 GIADRO COc1cc(C[NH2+][C@H]2CCN(CC(F)(F)F)C2)c(-c2ccccc2)cc1OC ZINC000057975740 823352356 /nfs/dbraw/zinc/35/23/56/823352356.db2.gz DFMAIFGEZBCEFZ-KRWDZBQOSA-N 1 0 394.437 4.097 20 0 GIADRO Cc1ccc([C@H](NCc2ccncc2OCC[NH+](C)C)c2ccccc2)cc1 ZINC000572519773 823352757 /nfs/dbraw/zinc/35/27/57/823352757.db2.gz MFFWSYCVXBBWPA-XMMPIXPASA-N 1 0 375.516 4.210 20 0 GIADRO C[NH+](C)CCCOc1cnccc1CNC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000572520769 823353106 /nfs/dbraw/zinc/35/31/06/823353106.db2.gz NCTXYXLCXZBFQT-UHFFFAOYSA-N 1 0 384.524 4.031 20 0 GIADRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)Nc1cccc2cccnc21 ZINC000057984239 823353237 /nfs/dbraw/zinc/35/32/37/823353237.db2.gz DEAPDPIIXYRMJS-UHFFFAOYSA-N 1 0 380.517 4.330 20 0 GIADRO CCc1oc2ccccc2c1C[NH2+]C[C@H](c1ccc(OC)cc1)N1CCOCC1 ZINC000020936559 818641636 /nfs/dbraw/zinc/64/16/36/818641636.db2.gz ZYXKPHXHBKUXLQ-JOCHJYFZSA-N 1 0 394.515 4.167 20 0 GIADRO CCc1oc2ccccc2c1C[NH2+]C[C@@H](c1ccc(OC)cc1)N1CCOCC1 ZINC000020936564 818641656 /nfs/dbraw/zinc/64/16/56/818641656.db2.gz ZYXKPHXHBKUXLQ-QFIPXVFZSA-N 1 0 394.515 4.167 20 0 GIADRO CN(C)C(=O)Sc1ccc(CN(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000177028771 823353721 /nfs/dbraw/zinc/35/37/21/823353721.db2.gz LKOZDORBJUKEPU-NRFANRHFSA-N 1 0 397.588 4.414 20 0 GIADRO C[C@H](CC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccc(Br)cc1 ZINC000122440848 823354621 /nfs/dbraw/zinc/35/46/21/823354621.db2.gz LCBILEGBBVEJHC-SJORKVTESA-N 1 0 393.369 4.277 20 0 GIADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1c(F)cccc1Br ZINC000177032556 823354918 /nfs/dbraw/zinc/35/49/18/823354918.db2.gz YOZUCKYAYRWMJZ-UHFFFAOYSA-N 1 0 383.305 4.115 20 0 GIADRO COc1ccccc1-c1ccc(C[NH2+]CCN2CCc3ccccc3C2=O)cc1 ZINC000189058855 823350256 /nfs/dbraw/zinc/35/02/56/823350256.db2.gz ZYGPSWIIIRHMAK-UHFFFAOYSA-N 1 0 386.495 4.150 20 0 GIADRO CN(C(=O)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000572504497 823350582 /nfs/dbraw/zinc/35/05/82/823350582.db2.gz TZTNIDKTAALQAX-AOHZBQACSA-N 1 0 396.506 4.017 20 0 GIADRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cnccc1Oc1ccccc1 ZINC000409947842 823350830 /nfs/dbraw/zinc/35/08/30/823350830.db2.gz OSKPNCLMMFKVMX-FQEVSTJZSA-N 1 0 387.483 4.126 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1cc(-c2cccs2)on1 ZINC000021411937 818684510 /nfs/dbraw/zinc/68/45/10/818684510.db2.gz LHBGWYVNRAZXQK-UHFFFAOYSA-N 1 0 381.501 4.319 20 0 GIADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C2(Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000189106941 823358658 /nfs/dbraw/zinc/35/86/58/823358658.db2.gz IBPDYDGVSQTKMR-KRWDZBQOSA-N 1 0 382.470 4.265 20 0 GIADRO C[C@H](CCCOc1ccccc1C(N)=O)[NH2+][C@H](C)c1nc(C(C)(C)C)cs1 ZINC000122471401 823359325 /nfs/dbraw/zinc/35/93/25/823359325.db2.gz IISQZEBVBCCUJQ-HUUCEWRRSA-N 1 0 389.565 4.438 20 0 GIADRO Oc1cccc2c1C[C@@H]([NH2+]Cc1csc(COc3ccc(Cl)cc3)n1)C2 ZINC000572553242 823359625 /nfs/dbraw/zinc/35/96/25/823359625.db2.gz WGNWQYLTBCDFAA-HNNXBMFYSA-N 1 0 386.904 4.338 20 0 GIADRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCC(=O)Nc1ccc(Cl)cc1 ZINC000460346084 823360057 /nfs/dbraw/zinc/36/00/57/823360057.db2.gz FNWSUYYFUSIJGD-IRXDYDNUSA-N 1 0 385.939 4.025 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1occc1COc1ccccc1 ZINC000022009963 818763046 /nfs/dbraw/zinc/76/30/46/818763046.db2.gz MXECYDXMNXLMLE-UHFFFAOYSA-N 1 0 390.483 4.253 20 0 GIADRO CC(C)[C@](C)([NH2+]Cc1cc(C(N)=O)cs1)c1ccc(Br)cc1 ZINC000191666796 823727385 /nfs/dbraw/zinc/72/73/85/823727385.db2.gz RPGYXSAJKCQUBP-KRWDZBQOSA-N 1 0 381.339 4.271 20 0 GIADRO CC(=O)Nc1ccc(CNc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)cc1 ZINC000122493142 823362999 /nfs/dbraw/zinc/36/29/99/823362999.db2.gz WFRFSBSOIWDDOZ-UHFFFAOYSA-N 1 0 394.519 4.072 20 0 GIADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)C1 ZINC000409989781 823363973 /nfs/dbraw/zinc/36/39/73/823363973.db2.gz YOWDIIHPDHFTBH-PMACEKPBSA-N 1 0 380.532 4.358 20 0 GIADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)C1 ZINC000409989783 823364240 /nfs/dbraw/zinc/36/42/40/823364240.db2.gz YOWDIIHPDHFTBH-WOJBJXKFSA-N 1 0 380.532 4.358 20 0 GIADRO 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 823364555 /nfs/dbraw/zinc/36/45/55/823364555.db2.gz VJZFDVQRHQUHKB-GDAAHCPNSA-N 1 0 397.485 4.412 20 0 GIADRO C[NH+](C)[C@H]1CCCN(C(=O)c2cccn2-c2c(Cl)cccc2Cl)CC1 ZINC000409992683 823365217 /nfs/dbraw/zinc/36/52/17/823365217.db2.gz LPFXNIOUESBOHF-AWEZNQCLSA-N 1 0 380.319 4.340 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000409996408 823366529 /nfs/dbraw/zinc/36/65/29/823366529.db2.gz FFGJSIXKNZUIIZ-OAHLLOKOSA-N 1 0 375.513 4.108 20 0 GIADRO O=C(C1CC[NH+](Cc2ccccc2OCc2ccccc2)CC1)N1CCCC1 ZINC000122487631 823361835 /nfs/dbraw/zinc/36/18/35/823361835.db2.gz GRCFKXCZAOHICV-UHFFFAOYSA-N 1 0 378.516 4.100 20 0 GIADRO Cc1nc2ccccc2nc1C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000177060798 823361881 /nfs/dbraw/zinc/36/18/81/823361881.db2.gz UMMGLHJZGVORJW-WBVHZDCISA-N 1 0 384.524 4.063 20 0 GIADRO CCc1ccc([C@H](CNC(=O)CCC(=O)c2cc(C)sc2C)[NH+](C)C)cc1 ZINC000022684395 818843617 /nfs/dbraw/zinc/84/36/17/818843617.db2.gz KKBRHRKCOVFRMK-FQEVSTJZSA-N 1 0 386.561 4.309 20 0 GIADRO O=c1[nH]cc(-c2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)c2ccccc12 ZINC000189163069 823368072 /nfs/dbraw/zinc/36/80/72/823368072.db2.gz TWFGOXVQNVMIBW-UHFFFAOYSA-N 1 0 386.455 4.231 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C)Sc1ccccc1)c1cccc(OC)c1 ZINC000022700422 818847924 /nfs/dbraw/zinc/84/79/24/818847924.db2.gz WSNJSLOVQMZERC-UTKZUKDTSA-N 1 0 386.561 4.375 20 0 GIADRO CNC(=O)C1CC[NH+](Cc2ccc(-c3ccccc3Br)s2)CC1 ZINC000122533881 823368453 /nfs/dbraw/zinc/36/84/53/823368453.db2.gz RIFWRMCYHQHMHW-UHFFFAOYSA-N 1 0 393.350 4.136 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1cnc2onc(C(C)C)c2c1)c1ccccc1 ZINC000022752909 818856048 /nfs/dbraw/zinc/85/60/48/818856048.db2.gz XKKGDKGQWVGPOZ-IBGZPJMESA-N 1 0 380.492 4.159 20 0 GIADRO Cc1cc(C[C@H](C)[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)n(-c2ccccc2)n1 ZINC000122536746 823368811 /nfs/dbraw/zinc/36/88/11/823368811.db2.gz UPNMXBYOFNSIEN-KRWDZBQOSA-N 1 0 398.551 4.101 20 0 GIADRO Cc1cc(Br)ccc1C[NH2+]C1CCN(C(=O)c2ccccc2)CC1 ZINC000177090340 823369005 /nfs/dbraw/zinc/36/90/05/823369005.db2.gz GLXDQYMXSWTQGS-UHFFFAOYSA-N 1 0 387.321 4.152 20 0 GIADRO Cc1cc(C)c(NC(=O)[C@@H](C)N2CCC[N@H+](Cc3ccccc3)CC2)c(C)c1 ZINC000022807907 818862923 /nfs/dbraw/zinc/86/29/23/818862923.db2.gz JNLBFFZWGKGOTB-OAQYLSRUSA-N 1 0 379.548 4.147 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccccc1OC[C@@H]1CCCO1)c1ccccc1 ZINC000022870937 818868474 /nfs/dbraw/zinc/86/84/74/818868474.db2.gz KQJWVEGMHYVVFD-UNMCSNQZSA-N 1 0 396.531 4.057 20 0 GIADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(C)(C)c2csc(-c3cccs3)n2)C1 ZINC000410007820 823369987 /nfs/dbraw/zinc/36/99/87/823369987.db2.gz XTRVZVXFSJLNRW-KGLIPLIRSA-N 1 0 377.579 4.138 20 0 GIADRO CC(C)(Cc1nc2ccccc2[nH]1)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000410023642 823373364 /nfs/dbraw/zinc/37/33/64/823373364.db2.gz ANTXKKBJULNDRO-SFHVURJKSA-N 1 0 382.552 4.045 20 0 GIADRO CCc1cc(N2CCC([NH2+][C@@H]3CCCOc4cc5c(cc43)CCC5)CC2)ncn1 ZINC000122549937 823370630 /nfs/dbraw/zinc/37/06/30/823370630.db2.gz DUMUYVCHGHBEQJ-JOCHJYFZSA-N 1 0 392.547 4.000 20 0 GIADRO Cc1csc(SCc2ccccc2C(=O)NC2CC[NH+](C(C)C)CC2)n1 ZINC000022991354 818885746 /nfs/dbraw/zinc/88/57/46/818885746.db2.gz LRJSPNOIHAHQMQ-UHFFFAOYSA-N 1 0 389.590 4.346 20 0 GIADRO CC(=O)Nc1ccc(C[NH2+]Cc2cn(-c3ccccc3)nc2C(C)(C)C)cc1 ZINC000177097731 823370730 /nfs/dbraw/zinc/37/07/30/823370730.db2.gz XPISPVYCWVHNPR-UHFFFAOYSA-N 1 0 376.504 4.418 20 0 GIADRO C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000572641257 823373413 /nfs/dbraw/zinc/37/34/13/823373413.db2.gz ZVHUWGIHCIXPQG-KBXCAEBGSA-N 1 0 382.470 4.121 20 0 GIADRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+][C@H]3CCc4c3ccc(OC)c4F)ccc2NC1=O ZINC000572625802 823371067 /nfs/dbraw/zinc/37/10/67/823371067.db2.gz WTRGNUZPVHVWEO-PUECVXPYSA-N 1 0 384.451 4.282 20 0 GIADRO COc1cccc(SCC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)c1 ZINC000058250263 823371631 /nfs/dbraw/zinc/37/16/31/823371631.db2.gz CYTKQCVTGPCTQV-UHFFFAOYSA-N 1 0 398.572 4.480 20 0 GIADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2c(F)cccc2F)CC1 ZINC000023139463 818903732 /nfs/dbraw/zinc/90/37/32/818903732.db2.gz BVTANPPFHRAHSC-UHFFFAOYSA-N 1 0 379.838 4.012 20 0 GIADRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cccc(OCc3cccc(Cl)c3)c2)C1 ZINC000058274264 823373582 /nfs/dbraw/zinc/37/35/82/823373582.db2.gz SPRPFLHWVQIURF-GOSISDBHSA-N 1 0 386.923 4.381 20 0 GIADRO COc1cccc(-c2ccc(C[NH2+][C@@H](C)c3ccc(-n4cnnn4)cc3)cc2)c1 ZINC000122557666 823372385 /nfs/dbraw/zinc/37/23/85/823372385.db2.gz POVGYJBUBHNIBT-KRWDZBQOSA-N 1 0 385.471 4.189 20 0 GIADRO COc1cc(Br)ccc1C[NH2+]Cc1c[nH]nc1-c1ccc(C)o1 ZINC000189186776 823372386 /nfs/dbraw/zinc/37/23/86/823372386.db2.gz KKNJFFGDRDBYAY-UHFFFAOYSA-N 1 0 376.254 4.039 20 0 GIADRO O=C(c1c[nH]cc1-c1ccc(Cl)s1)N1CCC([NH+]2CCCCC2)CC1 ZINC000058263320 823372631 /nfs/dbraw/zinc/37/26/31/823372631.db2.gz WCJHFBBZXFPQFP-UHFFFAOYSA-N 1 0 377.941 4.487 20 0 GIADRO CC(C)c1c(C(=O)N2CCC([NH+]3CCCCC3)CC2)cnn1-c1ccc(F)cc1 ZINC000058263662 823372774 /nfs/dbraw/zinc/37/27/74/823372774.db2.gz VKRTUFYSVDJPSG-UHFFFAOYSA-N 1 0 398.526 4.225 20 0 GIADRO Cc1ccc2c(CN3CCC[N@H+](Cc4ccccc4)CC3)cc(=O)oc2c1C ZINC000023355141 818926964 /nfs/dbraw/zinc/92/69/64/818926964.db2.gz ZHPHOYGRRIKVRM-UHFFFAOYSA-N 1 0 376.500 4.118 20 0 GIADRO COc1cccc([C@@H](C)CC(=O)NC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000177129687 823378460 /nfs/dbraw/zinc/37/84/60/823378460.db2.gz ATGKTMMYMQYHOU-IBGZPJMESA-N 1 0 380.532 4.012 20 0 GIADRO C[N@@H+](Cc1ccc(OC(F)F)cc1)C[C@H](O)COc1ccc2ccccc2c1 ZINC000023390134 818932318 /nfs/dbraw/zinc/93/23/18/818932318.db2.gz HNROZWNUGAVCGZ-IBGZPJMESA-N 1 0 387.426 4.313 20 0 GIADRO CCOc1cccc2[nH]cc(CC(=O)NC3CC[NH+](C4CCCCC4)CC3)c21 ZINC000189204518 823375197 /nfs/dbraw/zinc/37/51/97/823375197.db2.gz VQRGPGLHXJRUBL-UHFFFAOYSA-N 1 0 383.536 4.022 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(-c3ccco3)nc3ccccc32)[C@H](C)C1 ZINC000122574555 823375244 /nfs/dbraw/zinc/37/52/44/823375244.db2.gz MQZXJNWUWMCXCT-IERDGZPVSA-N 1 0 377.488 4.297 20 0 GIADRO Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000023480194 818944556 /nfs/dbraw/zinc/94/45/56/818944556.db2.gz MUFUOTNAHSYGGI-OAQYLSRUSA-N 1 0 394.950 4.257 20 0 GIADRO C[NH+](C)CCN(C(=O)c1ccc(Br)cc1Cl)c1ccccc1 ZINC000058297153 823375650 /nfs/dbraw/zinc/37/56/50/823375650.db2.gz GZCITGKBOOZTGZ-UHFFFAOYSA-N 1 0 381.701 4.311 20 0 GIADRO COc1ccc2cc(C(=O)NC[C@H](c3cccs3)[NH+]3CCCC3)ccc2c1 ZINC000023554739 818958502 /nfs/dbraw/zinc/95/85/02/818958502.db2.gz CLPXLTZJIGPTGK-HXUWFJFHSA-N 1 0 380.513 4.477 20 0 GIADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc2ccccc2n1Cc1ccccc1F ZINC000058299879 823376505 /nfs/dbraw/zinc/37/65/05/823376505.db2.gz BAZUJFDRVMRGAD-UNMCSNQZSA-N 1 0 391.490 4.185 20 0 GIADRO CC(=O)Nc1ccc2c(C[N@@H+](C)[C@H](C)c3ccc(F)c(F)c3)cc(=O)oc2c1 ZINC000023667618 818971753 /nfs/dbraw/zinc/97/17/53/818971753.db2.gz RJAQSNRLWOSNQS-GFCCVEGCSA-N 1 0 386.398 4.223 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(NCc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000189212259 823376931 /nfs/dbraw/zinc/37/69/31/823376931.db2.gz ORFBKRUUVGKULA-LJQANCHMSA-N 1 0 392.522 4.386 20 0 GIADRO O=C(Nc1ccc(Br)c(F)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000460402281 823377512 /nfs/dbraw/zinc/37/75/12/823377512.db2.gz PZIPSOSZBGAKBE-UHFFFAOYSA-N 1 0 391.284 4.439 20 0 GIADRO Cn1cncc1CCC[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000572659284 823377716 /nfs/dbraw/zinc/37/77/16/823377716.db2.gz AZLDDJOCUJMKAU-UHFFFAOYSA-N 1 0 385.515 4.337 20 0 GIADRO Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)Nc2ccc(C[NH+](C)C)cc2)c1 ZINC000023899320 818991920 /nfs/dbraw/zinc/99/19/20/818991920.db2.gz VJRZFDJSYRUXFE-UHFFFAOYSA-N 1 0 395.532 4.007 20 0 GIADRO O=C(Nc1ccc(Br)c(F)c1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000460406698 823378848 /nfs/dbraw/zinc/37/88/48/823378848.db2.gz SKJZPEQYORUESD-KRWDZBQOSA-N 1 0 377.257 4.191 20 0 GIADRO CN(C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000572669174 823379221 /nfs/dbraw/zinc/37/92/21/823379221.db2.gz MQEDQNUNGXFQHC-QRVBRYPASA-N 1 0 382.470 4.478 20 0 GIADRO COc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000023994820 819004335 /nfs/dbraw/zinc/00/43/35/819004335.db2.gz WMXUAGXOWUCCOW-QWHCGFSZSA-N 1 0 377.282 4.136 20 0 GIADRO CC(C)[C@@H](CNC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)c1ccccc1 ZINC000122599638 823379279 /nfs/dbraw/zinc/37/92/79/823379279.db2.gz MRQWVBQTBOBOTI-JOCHJYFZSA-N 1 0 383.536 4.325 20 0 GIADRO COc1ccc2c(c1)C1(CC1)CN(C(=O)NC1CC[NH+](C3CCCCC3)CC1)C2 ZINC000460408992 823379540 /nfs/dbraw/zinc/37/95/40/823379540.db2.gz TWXJEIDMZAJQNE-UHFFFAOYSA-N 1 0 397.563 4.049 20 0 GIADRO COc1cccc([C@H]2CCC[N@@H+]2CCCC(=O)Nc2ccccc2C(C)=O)c1 ZINC000572673330 823380018 /nfs/dbraw/zinc/38/00/18/823380018.db2.gz DNTANKMJOMSXJL-JOCHJYFZSA-N 1 0 380.488 4.454 20 0 GIADRO CC(C)c1cc(C(=O)NCc2ccccc2C[NH+](C)C)c2cnn(C(C)C)c2n1 ZINC000024084643 819021119 /nfs/dbraw/zinc/02/11/19/819021119.db2.gz GXLBFRLHXKDBPQ-UHFFFAOYSA-N 1 0 393.535 4.127 20 0 GIADRO O=C(c1ccccc1SCc1cccs1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000024086913 819021606 /nfs/dbraw/zinc/02/16/06/819021606.db2.gz SZXUNGQBTHPWRE-UHFFFAOYSA-N 1 0 395.553 4.398 20 0 GIADRO C[C@H]1CCCN(Cc2csc(NC(=O)NC[C@H]3CCCC(F)(F)C3)n2)C1 ZINC000410051711 823380391 /nfs/dbraw/zinc/38/03/91/823380391.db2.gz JQDJOPICWRXHFC-KBPBESRZSA-N 1 0 386.512 4.322 20 0 GIADRO CN1CCC[C@H](C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)[C@@H]1c1cccs1 ZINC000189243559 823380641 /nfs/dbraw/zinc/38/06/41/823380641.db2.gz VWFACVOUKUMRGI-DENIHFKCSA-N 1 0 398.551 4.305 20 0 GIADRO COCCCOc1cccc(NC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)c1 ZINC000177140271 823380707 /nfs/dbraw/zinc/38/07/07/823380707.db2.gz ZVBNGQSXYJDGJF-JOCHJYFZSA-N 1 0 397.519 4.061 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)N1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000410052616 823380800 /nfs/dbraw/zinc/38/08/00/823380800.db2.gz KGLSMMZSIWTBSX-CVDCTZTESA-N 1 0 395.547 4.200 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)N1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000410052818 823380824 /nfs/dbraw/zinc/38/08/24/823380824.db2.gz KGLSMMZSIWTBSX-XXBNENTESA-N 1 0 395.547 4.200 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)N2C[C@@H](c3ccccc3)O[C@@H](C)C2)cc1 ZINC000410053171 823380956 /nfs/dbraw/zinc/38/09/56/823380956.db2.gz LJZDLFYVJMHQBM-CVDCTZTESA-N 1 0 395.547 4.200 20 0 GIADRO CC[C@H]([NH2+]CC(=O)Nc1cc(OC)c(OC)c(OC)c1)c1ccc(Cl)cc1 ZINC000024253045 819039638 /nfs/dbraw/zinc/03/96/38/819039638.db2.gz HUFWRCOLYUUWGS-INIZCTEOSA-N 1 0 392.883 4.045 20 0 GIADRO CC[C@H]([NH2+]CC(=O)Nc1ccc(Br)cn1)c1ccc(Cl)cc1 ZINC000024255799 819040322 /nfs/dbraw/zinc/04/03/22/819040322.db2.gz STEXSCCVLUOUPS-AWEZNQCLSA-N 1 0 382.689 4.177 20 0 GIADRO CC1CC[NH+](Cc2ccc(NC(=O)[C@H]3CC(c4ccccc4)=NO3)cc2)CC1 ZINC000058354036 823382178 /nfs/dbraw/zinc/38/21/78/823382178.db2.gz WCVLNCOTBHGMNG-JOCHJYFZSA-N 1 0 377.488 4.050 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)cc1F ZINC000189267178 823383709 /nfs/dbraw/zinc/38/37/09/823383709.db2.gz LFPXVGFWSDXDIH-ODIFPOPNSA-N 1 0 396.462 4.092 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1cc2c(s1)-c1ccccc1OC2)Cc1ccccc1 ZINC000024587296 819076873 /nfs/dbraw/zinc/07/68/73/819076873.db2.gz DEKFKCGWPIVGQI-SFHVURJKSA-N 1 0 392.524 4.210 20 0 GIADRO FC(F)(F)c1ccn(-c2ccc(C[N@@H+]3CCC[C@@H]3[C@@H]3CCCOC3)cc2)n1 ZINC000572721907 823388874 /nfs/dbraw/zinc/38/88/74/823388874.db2.gz JKLYYZLGTMNRAM-SJLPKXTDSA-N 1 0 379.426 4.282 20 0 GIADRO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000122632731 823385070 /nfs/dbraw/zinc/38/50/70/823385070.db2.gz BYSGAWAOIWHPFT-ROUUACIJSA-N 1 0 380.513 4.262 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)C2=Cc3cc(Cl)ccc3OC2)CC1 ZINC000058399910 823386167 /nfs/dbraw/zinc/38/61/67/823386167.db2.gz RDHCHFQUDRYKRS-UHFFFAOYSA-N 1 0 396.918 4.205 20 0 GIADRO COC(=O)c1ccc(NC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000058422719 823389060 /nfs/dbraw/zinc/38/90/60/823389060.db2.gz FCGRZVCDHMWIHR-UHFFFAOYSA-N 1 0 395.503 4.171 20 0 GIADRO Cc1cc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)n(Cc2ccccc2)n1 ZINC000410083921 823386524 /nfs/dbraw/zinc/38/65/24/823386524.db2.gz BXHLBHIXLDHKDX-UHFFFAOYSA-N 1 0 388.515 4.478 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)NCC2CCC(F)(F)CC2)CC1 ZINC000410090322 823388131 /nfs/dbraw/zinc/38/81/31/823388131.db2.gz XELXVLLPWGXFGM-UHFFFAOYSA-N 1 0 379.495 4.084 20 0 GIADRO O[C@H]1CCCC[C@H]1[NH+]1CCC(NCc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000189310378 823391908 /nfs/dbraw/zinc/39/19/08/823391908.db2.gz CZBAJHCNKPJWTG-MSOLQXFVSA-N 1 0 390.877 4.216 20 0 GIADRO COc1cccc([C@H](C)C(=O)N[C@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)c1 ZINC000410101587 823392032 /nfs/dbraw/zinc/39/20/32/823392032.db2.gz KWSSZZPEHLJBBB-FDDCHVKYSA-N 1 0 394.559 4.388 20 0 GIADRO Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000177178983 823392336 /nfs/dbraw/zinc/39/23/36/823392336.db2.gz QZQNKDIQYWGZHC-ZYHUDNBSSA-N 1 0 394.302 4.312 20 0 GIADRO O=C(Nc1ccc(SCC[NH+]2CCCCC2)cc1)N1CCC(CF)CC1 ZINC000572759388 823393885 /nfs/dbraw/zinc/39/38/85/823393885.db2.gz CTZQKVDSVMYLRL-UHFFFAOYSA-N 1 0 379.545 4.478 20 0 GIADRO CCc1noc(C)c1C[NH2+]C[C@@H](O)CO[C@@H](c1ccccc1)c1ccccc1C ZINC000572751762 823392829 /nfs/dbraw/zinc/39/28/29/823392829.db2.gz SYWKBMKDZCHPNG-YKSBVNFPSA-N 1 0 394.515 4.111 20 0 GIADRO O[C@H](C[NH2+]C1(c2nccs2)CCCC1)COc1ccc(Cl)cc1Cl ZINC000177168293 823389518 /nfs/dbraw/zinc/38/95/18/823389518.db2.gz LDWXDMAOXQGEDW-CYBMUJFWSA-N 1 0 387.332 4.249 20 0 GIADRO O[C@@H](C[NH2+]C1(c2nccs2)CCCC1)COc1c(Cl)cccc1Cl ZINC000177169826 823389778 /nfs/dbraw/zinc/38/97/78/823389778.db2.gz GJBRRIYGZMCZSW-LBPRGKRZSA-N 1 0 387.332 4.249 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)N(CCC(F)(F)F)Cc2ccccc2)CC1 ZINC000189300149 823389953 /nfs/dbraw/zinc/38/99/53/823389953.db2.gz DMSRKDNNDCAXSM-UHFFFAOYSA-N 1 0 385.474 4.273 20 0 GIADRO CCOCc1ccccc1C[NH2+][C@H](C)c1ccc(OC)c(Cn2cccn2)c1 ZINC000122666214 823390593 /nfs/dbraw/zinc/39/05/93/823390593.db2.gz LGAOZBHWSHKPRA-GOSISDBHSA-N 1 0 379.504 4.327 20 0 GIADRO O[C@H](c1ccccc1)C1CC[NH+](CCc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000122669128 823391234 /nfs/dbraw/zinc/39/12/34/823391234.db2.gz FMPDGGBITZBIRR-OAQYLSRUSA-N 1 0 397.906 4.378 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)N2C[C@@H](C)O[C@H](c3ccccc3)C2)c1 ZINC000410117471 823395908 /nfs/dbraw/zinc/39/59/08/823395908.db2.gz JAOULRGFBWWMHJ-XXBNENTESA-N 1 0 395.547 4.200 20 0 GIADRO C[C@@H]([NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(NC(=O)C2CC2)cc1 ZINC000177196454 823396194 /nfs/dbraw/zinc/39/61/94/823396194.db2.gz FWWGIUFORBBQQF-OAHLLOKOSA-N 1 0 387.524 4.085 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1ccnc(Cl)c1 ZINC000122697579 823396588 /nfs/dbraw/zinc/39/65/88/823396588.db2.gz WHVGJOBXOPKKCS-WBMJQRKESA-N 1 0 395.837 4.183 20 0 GIADRO COCCCCC[NH2+]Cc1c(C)nn(-c2ccc(Br)cc2)c1C ZINC000058475291 823396941 /nfs/dbraw/zinc/39/69/41/823396941.db2.gz IOXJAEBXPZACOS-UHFFFAOYSA-N 1 0 380.330 4.158 20 0 GIADRO Cc1nc(CSc2ccc(C(=O)N[C@@H]3C[C@H](C)[N@@H+](C4CC4)C3)cc2)cs1 ZINC000177199571 823397347 /nfs/dbraw/zinc/39/73/47/823397347.db2.gz ZCSCUZKQGWTKNX-XJKSGUPXSA-N 1 0 387.574 4.099 20 0 GIADRO COc1cc(OC)cc([C@@H]([NH2+][C@H](C)CCc2ccccc2)c2nccn2C)c1 ZINC000177202826 823398289 /nfs/dbraw/zinc/39/82/89/823398289.db2.gz NVXLNIDSXZXFOZ-VGOFRKELSA-N 1 0 379.504 4.138 20 0 GIADRO C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000189375810 823403572 /nfs/dbraw/zinc/40/35/72/823403572.db2.gz YSJGXLGAQZDRNP-LBPRGKRZSA-N 1 0 395.812 4.247 20 0 GIADRO C[C@@H](NC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccc(C(F)(F)F)cc1 ZINC000410137756 823399832 /nfs/dbraw/zinc/39/98/32/823399832.db2.gz XTTYRIKGIXGIQD-RDTXWAMCSA-N 1 0 379.426 4.369 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(CN2CCCC2=O)c1)c1ccc(Br)cc1 ZINC000177211835 823400246 /nfs/dbraw/zinc/40/02/46/823400246.db2.gz KCKLTXYLYSBTNZ-HNNXBMFYSA-N 1 0 387.321 4.422 20 0 GIADRO CCC[C@]1(CO)CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000572797827 823400649 /nfs/dbraw/zinc/40/06/49/823400649.db2.gz IELIYOWXVWZXQF-MBSDFSHPSA-N 1 0 382.504 4.290 20 0 GIADRO Cc1ccc(Cl)c(O[C@H](C)C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000410143461 823400869 /nfs/dbraw/zinc/40/08/69/823400869.db2.gz QPMNDADKDKKSQI-NVXWUHKLSA-N 1 0 392.952 4.431 20 0 GIADRO CN(C)c1cccc(CCc2nc(-c3ccc(C[NH+]4CCCC4)cc3)no2)c1 ZINC000572799697 823400946 /nfs/dbraw/zinc/40/09/46/823400946.db2.gz WKQNOJKCXXHZCU-UHFFFAOYSA-N 1 0 376.504 4.184 20 0 GIADRO CC[NH+](CC)CCOc1ccc(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)cc1 ZINC000122723854 823400949 /nfs/dbraw/zinc/40/09/49/823400949.db2.gz XZGFGXLKUXXGTJ-UHFFFAOYSA-N 1 0 395.503 4.008 20 0 GIADRO C[C@H](C[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1)c1nc(-c2ccccc2)no1 ZINC000189368084 823402126 /nfs/dbraw/zinc/40/21/26/823402126.db2.gz RQUMWDCVHYHXTL-MRXNPFEDSA-N 1 0 391.450 4.014 20 0 GIADRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)Nc3ccsc3Cl)cc2)C[C@H](C)O1 ZINC000189370867 823402521 /nfs/dbraw/zinc/40/25/21/823402521.db2.gz QJMLRECKMCEINS-KBPBESRZSA-N 1 0 393.940 4.332 20 0 GIADRO CC[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1nnnn1-c1c(C)cccc1C ZINC000058523769 823403932 /nfs/dbraw/zinc/40/39/32/823403932.db2.gz YINJTDWLFAUKNQ-RTWAWAEBSA-N 1 0 375.520 4.437 20 0 GIADRO CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000122736038 823402852 /nfs/dbraw/zinc/40/28/52/823402852.db2.gz QVJYDSSXWMOQKP-MSOLQXFVSA-N 1 0 389.471 4.059 20 0 GIADRO CC[C@@H](CC1CCCCC1)C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000460479067 823403118 /nfs/dbraw/zinc/40/31/18/823403118.db2.gz GTFPYRRVFDGZAC-NRFANRHFSA-N 1 0 377.617 4.050 20 0 GIADRO CCOC(=O)N1CCC([C@@H](C)[NH2+]Cc2cc(Cl)cc3cccnc32)CC1 ZINC000189374143 823403189 /nfs/dbraw/zinc/40/31/89/823403189.db2.gz FGSLRJWKEAZUPX-CQSZACIVSA-N 1 0 375.900 4.235 20 0 GIADRO CC[C@@H]([NH2+][C@@H]1CCOc2c(C)cccc21)c1ccccc1OCC(=O)N(C)C ZINC000189373496 823403229 /nfs/dbraw/zinc/40/32/29/823403229.db2.gz NVVUMFMGVSTUDF-WOJBJXKFSA-N 1 0 382.504 4.027 20 0 GIADRO O=C(Nc1cc(Cl)ccc1OCC1CCC1)N1CCC([NH+]2CC=CC2)CC1 ZINC000189380857 823404638 /nfs/dbraw/zinc/40/46/38/823404638.db2.gz CPSUMLIZNQCEMW-UHFFFAOYSA-N 1 0 389.927 4.387 20 0 GIADRO CC[NH+](CC)CCN(Cc1cccs1)Cc1nnc(-c2ccc(C)cc2)o1 ZINC000122746397 823404818 /nfs/dbraw/zinc/40/48/18/823404818.db2.gz NOCSXZDHJIOYLQ-UHFFFAOYSA-N 1 0 384.549 4.451 20 0 GIADRO O=C(CCSc1ccccc1F)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000058531630 823404916 /nfs/dbraw/zinc/40/49/16/823404916.db2.gz NJSZBJUBXLPAFC-UHFFFAOYSA-N 1 0 390.499 4.228 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)N3[C@H](C)C[C@@H]4CCCC[C@@H]43)c(C)c2)CC1 ZINC000177227852 823404911 /nfs/dbraw/zinc/40/49/11/823404911.db2.gz LPAXJROJMBGGFR-DXIQSLLYSA-N 1 0 384.568 4.322 20 0 GIADRO Cc1cc(C(=O)CCC(=O)NC2CC[NH+](C3CCCCC3)CC2)c(C)s1 ZINC000177229422 823405171 /nfs/dbraw/zinc/40/51/71/823405171.db2.gz WNILPILZWXDILZ-UHFFFAOYSA-N 1 0 376.566 4.241 20 0 GIADRO C[C@H](Oc1ccc(F)cc1Cl)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177232541 823405847 /nfs/dbraw/zinc/40/58/47/823405847.db2.gz WNKZTWSMZAPXTR-AWEZNQCLSA-N 1 0 382.907 4.160 20 0 GIADRO CCN(C)C(=O)c1cccc(NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000572828534 823406436 /nfs/dbraw/zinc/40/64/36/823406436.db2.gz OYPJIBWHPQUOJM-UHFFFAOYSA-N 1 0 393.531 4.019 20 0 GIADRO CC(C)(C)OC(=O)N1CCC([NH2+]CCCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000177237931 823407065 /nfs/dbraw/zinc/40/70/65/823407065.db2.gz UUNZPBHYHZIXNH-UHFFFAOYSA-N 1 0 395.931 4.048 20 0 GIADRO CCC(CC)[C@H]1C[C@@H]([NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)CCO1 ZINC000189393719 823407484 /nfs/dbraw/zinc/40/74/84/823407484.db2.gz BFNHMZNBRBBZDI-LAKQMRRBSA-N 1 0 398.547 4.167 20 0 GIADRO C[C@H](CNC(=O)Nc1ccc(N(C)C)cc1C(F)(F)F)[N@@H+]1CCCC[C@H]1C ZINC000058548332 823407596 /nfs/dbraw/zinc/40/75/96/823407596.db2.gz KVKRQNDYLSCNLJ-ZIAGYGMSSA-N 1 0 386.462 4.156 20 0 GIADRO C[C@@H]([NH2+]Cc1cc(-c2ccccc2)n[nH]1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000122761822 823407656 /nfs/dbraw/zinc/40/76/56/823407656.db2.gz SPMVADXATJZUHZ-KOSHJBKYSA-N 1 0 391.515 4.492 20 0 GIADRO CC[C@@H](C)n1c2ccc(NC(=O)N3CCC[N@H+](C)CC3)cc2nc1C(F)(F)F ZINC000572835958 823407808 /nfs/dbraw/zinc/40/78/08/823407808.db2.gz RWXNKWKETSFAND-CYBMUJFWSA-N 1 0 397.445 4.196 20 0 GIADRO Cc1c(CSC(C)C)cccc1NC(=O)C(=O)Nc1ccc2c(c1)CN(C)C2 ZINC000189412024 823410739 /nfs/dbraw/zinc/41/07/39/823410739.db2.gz NMWONPWUESSYDK-UHFFFAOYSA-N 1 0 397.544 4.159 20 0 GIADRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)N2CCCSCC2)cc1 ZINC000122784139 823411655 /nfs/dbraw/zinc/41/16/55/823411655.db2.gz HKSDIUINEJKMGP-UHFFFAOYSA-N 1 0 383.561 4.064 20 0 GIADRO O=C(CC(F)(F)F)NC[C@H]1CCC[N@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC000572887234 823414102 /nfs/dbraw/zinc/41/41/02/823414102.db2.gz LURUXZLEKRDZIU-QGZVFWFLSA-N 1 0 391.437 4.029 20 0 GIADRO Cc1cc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)c2c(n1)onc2C(C)C ZINC000177265760 823414411 /nfs/dbraw/zinc/41/44/11/823414411.db2.gz CZJODFULTIBJSH-UHFFFAOYSA-N 1 0 384.524 4.182 20 0 GIADRO COc1ccc2ccccc2c1CNC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000410197896 823416812 /nfs/dbraw/zinc/41/68/12/823416812.db2.gz YMRJBVZSSXEZOQ-UHFFFAOYSA-N 1 0 383.536 4.160 20 0 GIADRO CCOc1ccccc1[C@H](CC)[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177276944 823418530 /nfs/dbraw/zinc/41/85/30/823418530.db2.gz PFIJBDISFMDVTJ-JXFKEZNVSA-N 1 0 390.549 4.138 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(O)ccc1C(F)(F)F ZINC000189460982 823422059 /nfs/dbraw/zinc/42/20/59/823422059.db2.gz WRBNOYNYEJFYAB-INIZCTEOSA-N 1 0 392.421 4.005 20 0 GIADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)Nc1ccc2c(c1)C(=O)CCC2 ZINC000177290435 823422714 /nfs/dbraw/zinc/42/27/14/823422714.db2.gz YITQQSQXCWTBBO-GOSISDBHSA-N 1 0 383.517 4.226 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)N[C@@H]2CCCC[C@H]2OC(F)F)CC1 ZINC000410217242 823422799 /nfs/dbraw/zinc/42/27/99/823422799.db2.gz GHBGUDAYBMSECT-QZTJIDSGSA-N 1 0 389.531 4.080 20 0 GIADRO CCOc1cc(C[NH2+]CC2CCN(CC(F)(F)F)CC2)ccc1OC(F)F ZINC000189465302 823422908 /nfs/dbraw/zinc/42/29/08/823422908.db2.gz GSCJEVJNLBTONF-UHFFFAOYSA-N 1 0 396.400 4.051 20 0 GIADRO COc1ccc(C[NH2+][C@H](C)c2cccc(Br)c2)cc1NC(C)=O ZINC000410224102 823424511 /nfs/dbraw/zinc/42/45/11/823424511.db2.gz JYPGTUHHSZTBLU-GFCCVEGCSA-N 1 0 377.282 4.267 20 0 GIADRO CCC[NH+]1CCC(NC(=O)NC(C)(C)c2ccc(Br)c(C)c2)CC1 ZINC000460529283 823420880 /nfs/dbraw/zinc/42/08/80/823420880.db2.gz DURZHOVHXYFGGG-UHFFFAOYSA-N 1 0 396.373 4.166 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCCc3c(O)cccc32)CC[N@@H+]1Cc1ccccc1 ZINC000189488272 823428454 /nfs/dbraw/zinc/42/84/54/823428454.db2.gz MJOGMJUCACKSDQ-ZWCUEREDSA-N 1 0 393.531 4.122 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)Nc2cccc(OCC(C)C)c2)cc1 ZINC000189487473 823428460 /nfs/dbraw/zinc/42/84/60/823428460.db2.gz JDAFHVIYAQRLJB-UHFFFAOYSA-N 1 0 397.519 4.140 20 0 GIADRO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000122893143 823430061 /nfs/dbraw/zinc/43/00/61/823430061.db2.gz ZBOXRSOGVARPJR-UONOGXRCSA-N 1 0 380.410 4.349 20 0 GIADRO CC(C)(C)OC(=O)C1CCC([NH2+]CC2=CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000189495132 823430481 /nfs/dbraw/zinc/43/04/81/823430481.db2.gz IXARUABWZJCUAI-UHFFFAOYSA-N 1 0 394.556 4.044 20 0 GIADRO CCS[C@@H]1CCCC[C@H]1[NH2+]Cc1csc(CC(=O)Nc2ccccc2)n1 ZINC000189495996 823430679 /nfs/dbraw/zinc/43/06/79/823430679.db2.gz AIQVHZZDWKQKSB-QZTJIDSGSA-N 1 0 389.590 4.478 20 0 GIADRO C[C@@H]1C[C@@H]1[C@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)c1ccc(Cl)cc1 ZINC000460555473 823430788 /nfs/dbraw/zinc/43/07/88/823430788.db2.gz FJYMOWXZFAMPDE-LKUPVBHCSA-N 1 0 390.955 4.188 20 0 GIADRO COc1ccc(CC[NH2+][C@@H](C)c2ccc(OC)c(NC(C)=O)c2)c(Cl)c1 ZINC000122905901 823431899 /nfs/dbraw/zinc/43/18/99/823431899.db2.gz HMKUDLVQQLYGDT-ZDUSSCGKSA-N 1 0 376.884 4.209 20 0 GIADRO CC(C)(C)OC(=O)N1CC=C(C[NH2+]Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC000189501947 823432348 /nfs/dbraw/zinc/43/23/48/823432348.db2.gz HHXOHYUVCSOQHM-UHFFFAOYSA-N 1 0 386.414 4.084 20 0 GIADRO Cc1cc(Cl)ccc1OCC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000024630997 819857662 /nfs/dbraw/zinc/85/76/62/819857662.db2.gz MVQUZBPZKYXLDM-MRXNPFEDSA-N 1 0 378.925 4.042 20 0 GIADRO Cc1c(O)ccc2c(C[N@@H+]3CCC[C@H](c4nc5ccccc5o4)C3)cc(=O)oc12 ZINC000024665525 819862057 /nfs/dbraw/zinc/86/20/57/819862057.db2.gz ANYBHUNREXCUGX-HNNXBMFYSA-N 1 0 390.439 4.328 20 0 GIADRO C[C@H](C1CC1)[N@H+](CC(=O)Nc1ccc2c(c1)OCCCO2)Cc1ccccc1 ZINC000024674127 819863332 /nfs/dbraw/zinc/86/33/32/819863332.db2.gz UUMIYXPGAZIQDK-QGZVFWFLSA-N 1 0 380.488 4.087 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)C1(NC(=O)OC(C)(C)C)CCCCC1 ZINC000177324420 823433858 /nfs/dbraw/zinc/43/38/58/823433858.db2.gz HAPASLQKHSWCRT-UHFFFAOYSA-N 1 0 389.540 4.223 20 0 GIADRO FC(F)(F)c1nc2ccccc2c(N2CC[NH+](CCc3ccccc3)CC2)n1 ZINC000024717711 819868143 /nfs/dbraw/zinc/86/81/43/819868143.db2.gz OQFVRGGHLBSOSX-UHFFFAOYSA-N 1 0 386.421 4.013 20 0 GIADRO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000024731632 819869864 /nfs/dbraw/zinc/86/98/64/819869864.db2.gz CWOKYMYPSACNSE-CQSZACIVSA-N 1 0 376.382 4.359 20 0 GIADRO O=C(Nc1ccccc1)C1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000024738983 819871218 /nfs/dbraw/zinc/87/12/18/819871218.db2.gz BWZQQRCRBHSKOI-UHFFFAOYSA-N 1 0 378.394 4.436 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1cnn(-c2ccccc2F)c1 ZINC000058682072 823429737 /nfs/dbraw/zinc/42/97/37/823429737.db2.gz VVEZTKBXGQAZQK-UHFFFAOYSA-N 1 0 378.451 4.250 20 0 GIADRO C[NH+](C)C1(CNC(=O)c2ccc(OCc3cccnc3)cc2)CCCCCC1 ZINC000024754479 819873844 /nfs/dbraw/zinc/87/38/44/819873844.db2.gz RBQRIPQYMIVTOX-UHFFFAOYSA-N 1 0 381.520 4.045 20 0 GIADRO Cc1cccc(OCCC(=O)NCc2ccccc2C[NH+]2CCCCC2)c1C ZINC000024758292 819874485 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COC[C@@]1(C[NH2+][C@@H](C)c2ccc(Br)s2)OCCc2ccccc21 ZINC000573023523 823435540 /nfs/dbraw/zinc/43/55/40/823435540.db2.gz SNQBCLCGDLFBKQ-SCLBCKFNSA-N 1 0 396.350 4.276 20 0 GIADRO COc1ccc(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c(C)c1OC ZINC000573026886 823436256 /nfs/dbraw/zinc/43/62/56/823436256.db2.gz BHTRDCHBYOZHIF-HXUWFJFHSA-N 1 0 396.531 4.044 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)CCc1ncc(-c2ccccc2F)o1 ZINC000177331956 823436342 /nfs/dbraw/zinc/43/63/42/823436342.db2.gz QEBGWYNSKZHDHL-UHFFFAOYSA-N 1 0 381.451 4.422 20 0 GIADRO Cc1ccc(-n2cc(C[N@@H+]3C[C@@H]4CC[C@H](O)[C@H]4C3)c(-c3ccc(F)cc3)n2)cc1 ZINC000573030149 823436947 /nfs/dbraw/zinc/43/69/47/823436947.db2.gz GAGUVLSZDAKZRZ-TZYHBYERSA-N 1 0 391.490 4.190 20 0 GIADRO CCn1c2ccccc2nc1SCC(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000177333615 823437152 /nfs/dbraw/zinc/43/71/52/823437152.db2.gz YNHMSFFMDJUTAJ-UHFFFAOYSA-N 1 0 382.533 4.157 20 0 GIADRO C[C@H](C(=O)NC(C)(C)C)[NH+]1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000025036435 819913003 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GIADRO COc1ccc([C@@H]2CCC[N@@H+]2C[C@@H](O)COc2ccc3ccccc3c2)cc1 ZINC000025227425 819947092 /nfs/dbraw/zinc/94/70/92/819947092.db2.gz CCIWDXXEAKGWCJ-QPPBQGQZSA-N 1 0 377.484 4.425 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000177341020 823440088 /nfs/dbraw/zinc/44/00/88/823440088.db2.gz XHOAMCHWTZTFTQ-UHFFFAOYSA-N 1 0 376.504 4.040 20 0 GIADRO COc1cccc(C2([NH2+]Cc3cc4c(c(Cl)c3)OCO4)CCOCC2)c1F ZINC000573057046 823441498 /nfs/dbraw/zinc/44/14/98/823441498.db2.gz FYROBUZALYHGFJ-UHFFFAOYSA-N 1 0 393.842 4.012 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)Cc1csc(Cc2ccc(F)cc2)n1 ZINC000177348708 823442180 /nfs/dbraw/zinc/44/21/80/823442180.db2.gz XWUBTCLERZEXNX-UHFFFAOYSA-N 1 0 397.519 4.424 20 0 GIADRO Cc1ccc(C(=O)CCC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1C ZINC000025383657 819973753 /nfs/dbraw/zinc/97/37/53/819973753.db2.gz BMJABGBWFVJRGM-IBGZPJMESA-N 1 0 384.545 4.281 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(Cl)c2)cc1OC ZINC000058761227 823446368 /nfs/dbraw/zinc/44/63/68/823446368.db2.gz LTTCNPQYJXVDTF-UONOGXRCSA-N 1 0 376.884 4.425 20 0 GIADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)N(C2CC2)C2CCC(CC)CC2)[C@H](C)C1 ZINC000410279528 823446362 /nfs/dbraw/zinc/44/63/62/823446362.db2.gz OUMOXRDDHZHBPY-LCLFBYRMSA-N 1 0 393.616 4.266 20 0 GIADRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(=O)oc3cc(NC(C)=O)ccc23)cc1 ZINC000025415454 819977079 /nfs/dbraw/zinc/97/70/79/819977079.db2.gz BGGUTZCXZLPFRI-NRFANRHFSA-N 1 0 392.455 4.097 20 0 GIADRO O=C(N1CC[C@@H]([NH+]2CCCC2)C1)C1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000189553696 823442769 /nfs/dbraw/zinc/44/27/69/823442769.db2.gz YPTDELIOEZURHV-CQSZACIVSA-N 1 0 386.845 4.087 20 0 GIADRO Cc1ccc2c(C[N@@H+]3CCC[C@@H]3c3ccc4c(c3)OCCO4)cc(=O)oc2c1 ZINC000025421815 819978630 /nfs/dbraw/zinc/97/86/30/819978630.db2.gz LCRXARUUAOLNER-LJQANCHMSA-N 1 0 377.440 4.210 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000573068114 823443198 /nfs/dbraw/zinc/44/31/98/823443198.db2.gz JFDRAEDOHDXODO-OAQYLSRUSA-N 1 0 389.503 4.050 20 0 GIADRO Cc1cn(C2CCCCC2)[nH]c1=NC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000573068403 823443360 /nfs/dbraw/zinc/44/33/60/823443360.db2.gz JBPHPAKQXFYSAC-UHFFFAOYSA-N 1 0 380.536 4.357 20 0 GIADRO CC(C)n1c(-c2cccnc2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000573074529 823443795 /nfs/dbraw/zinc/44/37/95/823443795.db2.gz OUFAUBLVNXGZPX-OALUTQOASA-N 1 0 382.556 4.012 20 0 GIADRO C[C@H](CNC(=O)Cc1ccc(Cl)cc1Cl)[N@@H+]1CCc2ccccc2C1 ZINC000025633781 820009034 /nfs/dbraw/zinc/00/90/34/820009034.db2.gz RKENAPKCZGFVJA-CQSZACIVSA-N 1 0 377.315 4.099 20 0 GIADRO O[C@@H](COCc1cccs1)C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000025664403 820012714 /nfs/dbraw/zinc/01/27/14/820012714.db2.gz XWSMNVNLNPSZST-HZPDHXFCSA-N 1 0 388.558 4.115 20 0 GIADRO C[C@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)c1cccc(OC(F)F)c1 ZINC000177367807 823446732 /nfs/dbraw/zinc/44/67/32/823446732.db2.gz DNBXAAMZZQNTHP-HNNXBMFYSA-N 1 0 395.494 4.445 20 0 GIADRO Cc1ccc(-c2noc(CCC(=O)Nc3cc(C[NH+](C)C)ccc3C)n2)cc1F ZINC000177364118 823445529 /nfs/dbraw/zinc/44/55/29/823445529.db2.gz CZZNLJRHVOVCEF-UHFFFAOYSA-N 1 0 396.466 4.125 20 0 GIADRO O=C(Nc1ccccc1O)C1CC[NH+](CCCCCOc2ccccc2)CC1 ZINC000189588731 823453083 /nfs/dbraw/zinc/45/30/83/823453083.db2.gz KVEKOEREXIHTCW-UHFFFAOYSA-N 1 0 382.504 4.292 20 0 GIADRO COc1ccc(OC)c(NC(=O)[C@H](C)[NH2+]CC2(c3ccccc3)CCCC2)c1 ZINC000025898289 820036448 /nfs/dbraw/zinc/03/64/48/820036448.db2.gz SWAFOWXIDFMEIS-KRWDZBQOSA-N 1 0 382.504 4.132 20 0 GIADRO O=C(CC[N@@H+]1CCC[C@@H]1CC(=O)c1cccs1)Nc1ccccc1Cl ZINC000177395529 823453284 /nfs/dbraw/zinc/45/32/84/823453284.db2.gz VVBIBKOFUZDUGO-CQSZACIVSA-N 1 0 376.909 4.468 20 0 GIADRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2 ZINC000189576603 823448655 /nfs/dbraw/zinc/44/86/55/823448655.db2.gz VUEQARQAIXUMPA-UHFFFAOYSA-N 1 0 397.475 4.444 20 0 GIADRO O=C(C[N@H+]1Cc2ccccc2[C@H](c2ccccc2)C1)N1CCc2ccccc2C1 ZINC000026100373 820057528 /nfs/dbraw/zinc/05/75/28/820057528.db2.gz UKUUAOXIXVNNGO-VWLOTQADSA-N 1 0 382.507 4.219 20 0 GIADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@@H]1CCc2ccc(-c3ccccc3)cc21 ZINC000189577339 823449317 /nfs/dbraw/zinc/44/93/17/823449317.db2.gz CYCQWWLDDBFERV-DNQXCXABSA-N 1 0 392.543 4.250 20 0 GIADRO CSc1cccc(NC(=O)C[NH+]2CCC(CCc3ccc(O)cc3)CC2)c1 ZINC000026113565 820059278 /nfs/dbraw/zinc/05/92/78/820059278.db2.gz LFONDZQGQKKEAK-UHFFFAOYSA-N 1 0 384.545 4.397 20 0 GIADRO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)c1ccccc1-n1cccn1 ZINC000177380297 823449653 /nfs/dbraw/zinc/44/96/53/823449653.db2.gz XMDDCESAFSCFJV-MVCQKVDPSA-N 1 0 396.535 4.453 20 0 GIADRO COc1ccc([C@H](C)N(C)C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000026164529 820065518 /nfs/dbraw/zinc/06/55/18/820065518.db2.gz WCOABGLBUVLKQS-SFHVURJKSA-N 1 0 395.547 4.235 20 0 GIADRO Fc1ccc([C@@H](C[NH2+]Cc2ccc(-c3ccccc3F)o2)N2CCOCC2)cc1 ZINC000026305517 820080138 /nfs/dbraw/zinc/08/01/38/820080138.db2.gz BJFUTBVFZWSPCU-JOCHJYFZSA-N 1 0 398.453 4.388 20 0 GIADRO CC(=O)Oc1ccc(C[N@@H+]2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1 ZINC000123035556 823451125 /nfs/dbraw/zinc/45/11/25/823451125.db2.gz MMDIDPKEJSIBBJ-GOSISDBHSA-N 1 0 395.434 4.181 20 0 GIADRO Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]C[C@H](c1ccco1)N(C)C ZINC000026306754 820080843 /nfs/dbraw/zinc/08/08/43/820080843.db2.gz MNYWNLGDMGCIFF-HXUWFJFHSA-N 1 0 386.927 4.187 20 0 GIADRO CCOC(=O)c1ccc(C[NH+]2CCC(c3ccnc4ccccc43)CC2)nc1 ZINC000573134257 823451803 /nfs/dbraw/zinc/45/18/03/823451803.db2.gz CUDYJZNWFXJDPB-UHFFFAOYSA-N 1 0 375.472 4.186 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)C[N@@H+](C)[C@@H]2CCC[C@H](C)C2)c(C(F)(F)F)c1 ZINC000026478628 820102833 /nfs/dbraw/zinc/10/28/33/820102833.db2.gz BACUUZYZGFBGIB-SWLSCSKDSA-N 1 0 385.430 4.113 20 0 GIADRO COc1cc2ccccc2cc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000026620815 820123388 /nfs/dbraw/zinc/12/33/88/820123388.db2.gz ORLNFRLAMFBTID-UHFFFAOYSA-N 1 0 389.499 4.161 20 0 GIADRO O=C(Cc1csc(-c2cccc(F)c2)n1)NC1CC[NH+](C2CCCC2)CC1 ZINC000177407444 823454969 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GIADRO CC[NH+](CC)CCOc1ccc(C(=O)Nc2ccccc2OC(F)F)cc1 ZINC000123071707 823457068 /nfs/dbraw/zinc/45/70/68/823457068.db2.gz JQVHTLJLAZEFKS-UHFFFAOYSA-N 1 0 378.419 4.261 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc4c(cc(C)cc4C)[nH]3)c(C)c2)CC1 ZINC000026909520 820163219 /nfs/dbraw/zinc/16/32/19/820163219.db2.gz NZBOJGMVBQJXKO-UHFFFAOYSA-N 1 0 390.531 4.487 20 0 GIADRO COc1ccc(SCCC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000026950265 820168194 /nfs/dbraw/zinc/16/81/94/820168194.db2.gz BZSMMYTYKRDZLE-UHFFFAOYSA-N 1 0 398.572 4.480 20 0 GIADRO CSc1ccc(C(=O)NCCCC[NH+]2CCN(c3cccc(C)c3)CC2)cc1 ZINC000026956382 820169571 /nfs/dbraw/zinc/16/95/71/820169571.db2.gz BIZMWJSAQGTOKG-UHFFFAOYSA-N 1 0 397.588 4.049 20 0 GIADRO O=C(Nc1cccc2c1CCCC2)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000410311064 823459630 /nfs/dbraw/zinc/45/96/30/823459630.db2.gz RVNDMVKPWFFCGF-UHFFFAOYSA-N 1 0 377.532 4.394 20 0 GIADRO O[C@]1(C[NH2+]Cc2ccc(OCC(F)(F)F)cc2)CCC[C@H](C(F)(F)F)C1 ZINC000189612591 823458222 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GIADRO Cc1nc(-c2ccc(F)cc2)sc1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000177434815 823461272 /nfs/dbraw/zinc/46/12/72/823461272.db2.gz VFGAHXBJXNUUQV-UHFFFAOYSA-N 1 0 387.524 4.394 20 0 GIADRO Cc1cccc2oc(CC[NH2+][C@@H](C(=O)NCc3ccccc3)c3ccccc3)nc21 ZINC000410317715 823461446 /nfs/dbraw/zinc/46/14/46/823461446.db2.gz DSRIKIPEVHWUFA-XMMPIXPASA-N 1 0 399.494 4.326 20 0 GIADRO COc1ccccc1C(=O)C(C(=S)Nc1ccc(F)cc1)[n+]1ccc(C)cc1 ZINC000027194192 820208580 /nfs/dbraw/zinc/20/85/80/820208580.db2.gz GDFYTRZSJOKYPY-UHFFFAOYSA-O 1 0 395.479 4.481 20 0 GIADRO Clc1ccc(OCc2cccnc2)c(C[NH2+]CCc2ccc3c(c2)OCO3)c1 ZINC000027217448 820211553 /nfs/dbraw/zinc/21/15/53/820211553.db2.gz ZGHWYPMVGIYOCO-UHFFFAOYSA-N 1 0 396.874 4.375 20 0 GIADRO COCc1ccc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)cc1 ZINC000027222358 820211819 /nfs/dbraw/zinc/21/18/19/820211819.db2.gz VWPCZHAVGKPYEG-UHFFFAOYSA-N 1 0 384.483 4.371 20 0 GIADRO C[C@@H](c1cccs1)N(C)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000123096402 823461782 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GIADRO COc1cccc([C@@H](CNC(=O)c2cc3ccccc3s2)[NH+]2CCCC2)c1 ZINC000027341444 820227821 /nfs/dbraw/zinc/22/78/21/820227821.db2.gz XHVFSBCXQIJCPJ-LJQANCHMSA-N 1 0 380.513 4.477 20 0 GIADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)CCn2ccc3ccccc32)CC1 ZINC000027388178 820237171 /nfs/dbraw/zinc/23/71/71/820237171.db2.gz PSUHVHFRULZUCB-UHFFFAOYSA-N 1 0 375.516 4.074 20 0 GIADRO CC[C@@H](C)[NH2+]Cc1ccc(OCC(=O)Nc2ccccc2Cl)c(OC)c1 ZINC000027392630 820238446 /nfs/dbraw/zinc/23/84/46/820238446.db2.gz PCPZAOINJWOXGY-CQSZACIVSA-N 1 0 376.884 4.254 20 0 GIADRO Cn1cc(C[NH2+]CCc2ccc(Cl)cc2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000027395370 820239102 /nfs/dbraw/zinc/23/91/02/820239102.db2.gz HPRTZNAZQIETGI-UHFFFAOYSA-N 1 0 397.906 4.234 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000189634566 823463521 /nfs/dbraw/zinc/46/35/21/823463521.db2.gz XDIZAOYGUWOFIQ-LPHOPBHVSA-N 1 0 381.442 4.062 20 0 GIADRO Cc1cc(Br)ccc1C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000058879822 823465424 /nfs/dbraw/zinc/46/54/24/823465424.db2.gz TWPRVEYJQRQSAL-UHFFFAOYSA-N 1 0 393.369 4.486 20 0 GIADRO C[C@H](CC(=O)N1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1)[C@H]1CCC[NH2+]C1 ZINC000573204180 823465272 /nfs/dbraw/zinc/46/52/72/823465272.db2.gz MJLXKYBWOZPYCD-SLYNCCJLSA-N 1 0 380.536 4.156 20 0 GIADRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1cccnc1Sc1ccccc1 ZINC000177446337 823463739 /nfs/dbraw/zinc/46/37/39/823463739.db2.gz DJVGYGCAFHKHCS-UHFFFAOYSA-N 1 0 381.545 4.370 20 0 GIADRO COc1ccc2c(c1F)CC[C@@H]2[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000573194504 823463818 /nfs/dbraw/zinc/46/38/18/823463818.db2.gz VRWKYLAEBONCEY-INIZCTEOSA-N 1 0 387.842 4.357 20 0 GIADRO CC(C)(C)OC(=O)Nc1cccc(C(=O)NC2CC[NH+](C3CCCC3)CC2)c1 ZINC000177446914 823464162 /nfs/dbraw/zinc/46/41/62/823464162.db2.gz IYVVRZVEDDDELD-UHFFFAOYSA-N 1 0 387.524 4.170 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@@H](c2cccs2)C2CC2)CC1 ZINC000410327466 823464381 /nfs/dbraw/zinc/46/43/81/823464381.db2.gz VFRKKTQXZQYEQD-OAQYLSRUSA-N 1 0 383.561 4.471 20 0 GIADRO CNC(=O)c1ccc(C[N@H+](Cc2c(O)ccc3ccc(OC)cc32)C2CC2)cc1 ZINC000027540084 820257648 /nfs/dbraw/zinc/25/76/48/820257648.db2.gz XCAZXEMYABNKFZ-UHFFFAOYSA-N 1 0 390.483 4.078 20 0 GIADRO CCc1ccc(C(=O)CCC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000058879479 823465507 /nfs/dbraw/zinc/46/55/07/823465507.db2.gz PQEIINQBNBFCKI-UHFFFAOYSA-N 1 0 384.564 4.327 20 0 GIADRO COc1ccc(C(=O)NCC2CC[NH+](CCC(C)C)CC2)cc1-c1ccccn1 ZINC000123120972 823465605 /nfs/dbraw/zinc/46/56/05/823465605.db2.gz SDOKOJJEVMGLMI-UHFFFAOYSA-N 1 0 395.547 4.245 20 0 GIADRO CCc1ccc([C@@H](CNC(=O)c2cc(-c3csc(C)n3)c[nH]2)[NH+](C)C)cc1 ZINC000027597488 820264840 /nfs/dbraw/zinc/26/48/40/820264840.db2.gz QHKSJIRMSMDTSQ-HXUWFJFHSA-N 1 0 382.533 4.042 20 0 GIADRO Cc1nc(-c2cccs2)sc1C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000027592963 820264917 /nfs/dbraw/zinc/26/49/17/820264917.db2.gz MZOJBENQMFXDHG-HNNXBMFYSA-N 1 0 389.521 4.352 20 0 GIADRO Cc1cc(C(=O)CCC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c(C)s1 ZINC000027606986 820267046 /nfs/dbraw/zinc/26/70/46/820267046.db2.gz HPFGCJRENPCAJP-KRWDZBQOSA-N 1 0 390.574 4.343 20 0 GIADRO [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCCN1C(=O)c1cnc2ccsc2c1 ZINC000573210525 823466022 /nfs/dbraw/zinc/46/60/22/823466022.db2.gz LVXBVQYADSCNGO-FXAWDEMLSA-N 1 0 379.529 4.109 20 0 GIADRO COc1cccc([C@H](CNC(=O)Nc2ccccc2OC(F)(F)F)[NH+](C)C)c1 ZINC000058881828 823466060 /nfs/dbraw/zinc/46/60/60/823466060.db2.gz PLQZVTVEORJQFK-INIZCTEOSA-N 1 0 397.397 4.018 20 0 GIADRO COc1ccc(NC(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)cc1OC ZINC000410335972 823466455 /nfs/dbraw/zinc/46/64/55/823466455.db2.gz YWQNPLKUBGWJSK-UHFFFAOYSA-N 1 0 397.519 4.257 20 0 GIADRO CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000460649222 823466533 /nfs/dbraw/zinc/46/65/33/823466533.db2.gz ASGLRTSSHUXQPE-VXKWHMMOSA-N 1 0 387.568 4.062 20 0 GIADRO Cc1cc(C(=O)NC2CC[NH+](C3CCCC3)CC2)c(C)n1Cc1ccccc1 ZINC000177455256 823466566 /nfs/dbraw/zinc/46/65/66/823466566.db2.gz YBKJPWKMPZGSSU-UHFFFAOYSA-N 1 0 379.548 4.290 20 0 GIADRO O=C(NC1CC[NH+](C2CCCC2)CC1)[C@@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000177457657 823466935 /nfs/dbraw/zinc/46/69/35/823466935.db2.gz JRJGBRMVLDAZQB-RTBURBONSA-N 1 0 391.353 4.076 20 0 GIADRO Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N[C@@H](C)C[NH+]2CCCCC2)o1 ZINC000027752076 820282101 /nfs/dbraw/zinc/28/21/01/820282101.db2.gz NMSSSTYENOUOCO-KRWDZBQOSA-N 1 0 392.503 4.045 20 0 GIADRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000027752159 820282145 /nfs/dbraw/zinc/28/21/45/820282145.db2.gz QNTGMQMPCUMSGI-QGZVFWFLSA-N 1 0 394.544 4.205 20 0 GIADRO Cc1cc(C(C)(C)C)cc(C)c1C[NH+]1CCC(C(=O)NCC(F)(F)F)CC1 ZINC000027781661 820286724 /nfs/dbraw/zinc/28/67/24/820286724.db2.gz PSQNKCSRNHQPCI-UHFFFAOYSA-N 1 0 384.486 4.491 20 0 GIADRO C[N@H+](CCCCCc1cc(-c2cccc(F)c2)no1)C[C@](C)(O)C(F)(F)F ZINC000410341500 823467703 /nfs/dbraw/zinc/46/77/03/823467703.db2.gz WKUHWKCPLKUXKL-SFHVURJKSA-N 1 0 388.405 4.439 20 0 GIADRO CN(Cc1ccc(OC(F)F)cc1)C(=O)C[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC000027906116 820294663 /nfs/dbraw/zinc/29/46/63/820294663.db2.gz AAJHHNGPUSNVAF-HXUWFJFHSA-N 1 0 388.458 4.256 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@@H]2CCCN(CC(C)(C)C)C2=O)ccc1OC(C)C ZINC000460654029 823467912 /nfs/dbraw/zinc/46/79/12/823467912.db2.gz BVNJERBKZSWKGA-FUHWJXTLSA-N 1 0 376.541 4.170 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCC[C@@H]3c3cccnc3)cc2)C1 ZINC000410354242 823471394 /nfs/dbraw/zinc/47/13/94/823471394.db2.gz OEHGINBIDVQZFH-AUSIDOKSSA-N 1 0 392.547 4.360 20 0 GIADRO O=C(CCSc1ccccc1F)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000027931661 820298032 /nfs/dbraw/zinc/29/80/32/820298032.db2.gz YXYPDOFVXXWGHK-UHFFFAOYSA-N 1 0 386.536 4.131 20 0 GIADRO O=C(CSc1ccc2c(c1)CCC2)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000027929112 820298222 /nfs/dbraw/zinc/29/82/22/820298222.db2.gz OOFOHQOMGVUUFM-UHFFFAOYSA-N 1 0 394.584 4.091 20 0 GIADRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)c1cc2ccc(Cl)cc2[nH]1 ZINC000027936439 820299389 /nfs/dbraw/zinc/29/93/89/820299389.db2.gz FLGPVSDMJUWZQN-UHFFFAOYSA-N 1 0 381.907 4.258 20 0 GIADRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)c1cccc(Cl)c1Cl ZINC000027939036 820299403 /nfs/dbraw/zinc/29/94/03/820299403.db2.gz DEAUVDOOJSLWNX-UHFFFAOYSA-N 1 0 377.315 4.430 20 0 GIADRO CSc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)c1 ZINC000027951215 820300158 /nfs/dbraw/zinc/30/01/58/820300158.db2.gz WUXNEZRQPVBSCB-DLBZAZTESA-N 1 0 397.544 4.086 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCn3cccc3[C@@H]2C)cc1 ZINC000410343695 823468416 /nfs/dbraw/zinc/46/84/16/823468416.db2.gz HFZZUWHYPIEYSB-MOPGFXCFSA-N 1 0 380.536 4.149 20 0 GIADRO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2cc(Cl)nc(Cl)c2)CC1 ZINC000028007169 820304291 /nfs/dbraw/zinc/30/42/91/820304291.db2.gz UMMVRUYRBTWMKL-UHFFFAOYSA-N 1 0 399.709 4.046 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N(C)CCOc2ccccc2)cc1 ZINC000410343469 823468478 /nfs/dbraw/zinc/46/84/78/823468478.db2.gz GYGIODVDJVDYBL-FQEVSTJZSA-N 1 0 395.547 4.281 20 0 GIADRO COc1ccc2[nH]cc(C3=CC[N@H+](Cc4cccc5c4OCCO5)CC3)c2c1 ZINC000058907959 823468984 /nfs/dbraw/zinc/46/89/84/823468984.db2.gz QXPCOTBEJBSWIR-UHFFFAOYSA-N 1 0 376.456 4.237 20 0 GIADRO CO[C@@H](CNC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)c1ccccc1 ZINC000410346680 823469140 /nfs/dbraw/zinc/46/91/40/823469140.db2.gz KECXZKOGLYWYIM-CVDCTZTESA-N 1 0 395.547 4.248 20 0 GIADRO Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000058908004 823469400 /nfs/dbraw/zinc/46/94/00/823469400.db2.gz CGBHZNYUPCJPIM-UHFFFAOYSA-N 1 0 389.952 4.472 20 0 GIADRO COc1cccc([C@@H]2[C@H](NC(=O)Nc3cc(C4CC4)ccn3)CC[N@@H+]2C2CC2)c1 ZINC000573255966 823471507 /nfs/dbraw/zinc/47/15/07/823471507.db2.gz SQCMJSDXANPNRF-IFMALSPDSA-N 1 0 392.503 4.067 20 0 GIADRO CC[C@H]([NH2+]CC(=O)N1CCc2[nH]c3ccccc3c2C1)c1ccc(Cl)cc1 ZINC000028278779 820322379 /nfs/dbraw/zinc/32/23/79/820322379.db2.gz XRIVOUGAXHWABW-IBGZPJMESA-N 1 0 381.907 4.447 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(-c2nc(CC(F)(F)F)no2)c1)C1CCSCC1 ZINC000573254425 823471527 /nfs/dbraw/zinc/47/15/27/823471527.db2.gz FJTDDKIPWRUEPL-GFCCVEGCSA-N 1 0 385.455 4.463 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc3ccccc32)c1 ZINC000028336023 820325922 /nfs/dbraw/zinc/32/59/22/820325922.db2.gz FGTBFHXNGYNFHW-JKSUJKDBSA-N 1 0 375.472 4.476 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Cl)cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000028348508 820328160 /nfs/dbraw/zinc/32/81/60/820328160.db2.gz KZUDDJZAJYZCAH-KGLIPLIRSA-N 1 0 385.895 4.366 20 0 GIADRO COc1ccc(NC(=O)[C@@H]([NH2+]CCOc2ccccc2)c2ccccc2)cc1 ZINC000028375317 820330237 /nfs/dbraw/zinc/33/02/37/820330237.db2.gz ZYMGNUKLSGCAIJ-QFIPXVFZSA-N 1 0 376.456 4.044 20 0 GIADRO COc1ccc(NC(=O)[C@H]([NH2+]CCOc2ccccc2)c2ccccc2)cc1 ZINC000028375324 820330601 /nfs/dbraw/zinc/33/06/01/820330601.db2.gz ZYMGNUKLSGCAIJ-JOCHJYFZSA-N 1 0 376.456 4.044 20 0 GIADRO C[C@H](NC(=O)NCc1cccc(C[NH+](C)C)c1)c1cccc(C(F)(F)F)c1 ZINC000028398708 820332738 /nfs/dbraw/zinc/33/27/38/820332738.db2.gz QCMCJQVQLHBPQT-AWEZNQCLSA-N 1 0 379.426 4.327 20 0 GIADRO CCOc1ccc(S[C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000028406045 820333415 /nfs/dbraw/zinc/33/34/15/820333415.db2.gz ONBVKZCGSOHXHV-SFHVURJKSA-N 1 0 398.572 4.347 20 0 GIADRO C[NH+](C)CCOc1ccc(CNC(=O)CCSc2ccc(Cl)cc2)cc1 ZINC000058921730 823470628 /nfs/dbraw/zinc/47/06/28/823470628.db2.gz WKPMAHRYBZQOJJ-UHFFFAOYSA-N 1 0 392.952 4.079 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCCc1ccccc1F ZINC000410351718 823470694 /nfs/dbraw/zinc/47/06/94/823470694.db2.gz MVZSJMGPMCWIPB-SFHVURJKSA-N 1 0 383.511 4.242 20 0 GIADRO Cc1cccnc1[C@H]([NH2+][C@H]1CCCN(Cc2ccc(F)cc2F)C1=O)C(C)C ZINC000189673280 823472403 /nfs/dbraw/zinc/47/24/03/823472403.db2.gz UEDZKEPVSCNYNZ-VQTJNVASSA-N 1 0 387.474 4.146 20 0 GIADRO O=C(c1ccc(Br)cc1Cl)N1CCC([NH+]2CCCCC2)CC1 ZINC000058936069 823472759 /nfs/dbraw/zinc/47/27/59/823472759.db2.gz RMQVWWLRYFXVJR-UHFFFAOYSA-N 1 0 385.733 4.193 20 0 GIADRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)N(C)[C@@H]3CCCC[C@H]3C)cc2)C[C@@H](C)O1 ZINC000410356955 823472799 /nfs/dbraw/zinc/47/27/99/823472799.db2.gz YAEXZMUHTOHTKM-JPAWQOSXSA-N 1 0 387.568 4.016 20 0 GIADRO Cc1cc(C(=O)N2CCC([NH+]3CCCCC3)CC2)c(C)n1-c1ccc(F)cc1 ZINC000058937117 823472940 /nfs/dbraw/zinc/47/29/40/823472940.db2.gz LDNFWUHVKXJHSX-UHFFFAOYSA-N 1 0 383.511 4.324 20 0 GIADRO CCNC(=S)C(C(=O)c1ccc(Cl)cc1)[n+]1ccc(C(C)(C)C)cc1 ZINC000028776987 820356538 /nfs/dbraw/zinc/35/65/38/820356538.db2.gz MOPISIYURXAKCC-UHFFFAOYSA-O 1 0 375.945 4.473 20 0 GIADRO C[N@H+](CCC(=O)NCc1ccccc1Cl)Cc1ccc(OC(F)F)cc1 ZINC000028852422 820364094 /nfs/dbraw/zinc/36/40/94/820364094.db2.gz BLVVWXDLLKQFPD-UHFFFAOYSA-N 1 0 382.838 4.080 20 0 GIADRO Cc1ccccc1N1CC[NH+](CCC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000028879730 820366360 /nfs/dbraw/zinc/36/63/60/820366360.db2.gz LZOVJXOZGNCWGA-UHFFFAOYSA-N 1 0 392.330 4.453 20 0 GIADRO CSc1ccccc1NC(=O)CC[N@H+](C)CCOc1ccccc1Cl ZINC000028901737 820369744 /nfs/dbraw/zinc/36/97/44/820369744.db2.gz ZELATZDCFRASPC-UHFFFAOYSA-N 1 0 378.925 4.401 20 0 GIADRO CO[C@@H](CNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000410361072 823474167 /nfs/dbraw/zinc/47/41/67/823474167.db2.gz UIJULIGEPRIPQV-XXBNENTESA-N 1 0 395.547 4.105 20 0 GIADRO Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)c1C ZINC000028919428 820373337 /nfs/dbraw/zinc/37/33/37/820373337.db2.gz OGMLFHUPPOKGGR-PGRDOPGGSA-N 1 0 396.531 4.051 20 0 GIADRO CCC[N@H+](CC(=O)Nc1cc(Cl)c(OC)cc1OC)Cc1ccccc1 ZINC000028932604 820375624 /nfs/dbraw/zinc/37/56/24/820375624.db2.gz AFDBQEIOWSVUGM-UHFFFAOYSA-N 1 0 376.884 4.208 20 0 GIADRO CC(C)c1ccc([C@@H](NC(=O)CN2CC[NH+](C3CCCC3)CC2)C(C)C)cc1 ZINC000028966936 820378410 /nfs/dbraw/zinc/37/84/10/820378410.db2.gz OIJAQBOWDCRPEB-DEOSSOPVSA-N 1 0 385.596 4.184 20 0 GIADRO CC(C)c1ccc([C@H](NC(=O)CN2CC[NH+](C3CCCC3)CC2)C(C)C)cc1 ZINC000028966932 820378450 /nfs/dbraw/zinc/37/84/50/820378450.db2.gz OIJAQBOWDCRPEB-XMMPIXPASA-N 1 0 385.596 4.184 20 0 GIADRO C[C@@H](NC(=O)NCc1ccc(C[NH+](C)C)cc1)c1ccc(C(F)(F)F)cc1 ZINC000028990232 820380915 /nfs/dbraw/zinc/38/09/15/820380915.db2.gz XXDXGPUGXIEQGR-CQSZACIVSA-N 1 0 379.426 4.327 20 0 GIADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C3(c4ccc(F)cc4)CCC3)cc2)CC1 ZINC000058954370 823475337 /nfs/dbraw/zinc/47/53/37/823475337.db2.gz XRFZHEJUVXDRAI-UHFFFAOYSA-N 1 0 395.522 4.024 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCCc1cccc(F)c1 ZINC000410364518 823475480 /nfs/dbraw/zinc/47/54/80/823475480.db2.gz ATXITUXUJPYIIO-SFHVURJKSA-N 1 0 383.511 4.242 20 0 GIADRO Cc1ccc(NC(=O)NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)cc1F ZINC000410365068 823475829 /nfs/dbraw/zinc/47/58/29/823475829.db2.gz JHTVPJFCCNPFIG-IAGOWNOFSA-N 1 0 385.483 4.065 20 0 GIADRO CCOC(=O)Nc1ccc(C(=O)NC[C@@H](c2ccccc2)[NH+](CC)CC)cc1 ZINC000029167056 820404212 /nfs/dbraw/zinc/40/42/12/820404212.db2.gz AYUJAMIYSPTQCC-FQEVSTJZSA-N 1 0 383.492 4.068 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)Nc3ccc4c(c3)CCO4)cc2)C1 ZINC000410366050 823476292 /nfs/dbraw/zinc/47/62/92/823476292.db2.gz GFBUOXRLAZJNPZ-KRWDZBQOSA-N 1 0 379.504 4.175 20 0 GIADRO CCOc1ccc(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1OCC ZINC000029177492 820406468 /nfs/dbraw/zinc/40/64/68/820406468.db2.gz NMCZEOYVKFBJOH-FQEVSTJZSA-N 1 0 382.504 4.051 20 0 GIADRO O=C(CCc1ncc(-c2ccccc2)o1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000029179205 820406962 /nfs/dbraw/zinc/40/69/62/820406962.db2.gz BTYKSJLMUMOCCL-NRFANRHFSA-N 1 0 389.499 4.228 20 0 GIADRO Cc1nc(-c2c[nH]c(C(=O)N[C@@H](C[NH+]3CCCC3)c3ccccc3)c2)cs1 ZINC000029178732 820407046 /nfs/dbraw/zinc/40/70/46/820407046.db2.gz OBUNXJHSXDMGRX-IBGZPJMESA-N 1 0 380.517 4.014 20 0 GIADRO CCN(CC)C(=O)C1CC[NH+](Cc2cccc(C(=O)Nc3ccccc3)c2)CC1 ZINC000058959411 823476445 /nfs/dbraw/zinc/47/64/45/823476445.db2.gz GZWRTYINOHYIAD-UHFFFAOYSA-N 1 0 393.531 4.019 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1c[nH]nc1-c1ccc(F)cc1)c1ccccc1 ZINC000029192488 820409208 /nfs/dbraw/zinc/40/92/08/820409208.db2.gz KUFZQIAOVLFFJT-FQEVSTJZSA-N 1 0 380.467 4.029 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCCN(CC(C)(C)C)C1=O)c1ccc(OCC(F)(F)F)cc1 ZINC000460682113 823477597 /nfs/dbraw/zinc/47/75/97/823477597.db2.gz ZXADKYUOBHGFBH-WMLDXEAASA-N 1 0 386.458 4.315 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)CCC(=O)c1ccc2c(c1)CCCC2 ZINC000058965164 823476792 /nfs/dbraw/zinc/47/67/92/823476792.db2.gz LOPDPWWJRYAKEV-IBGZPJMESA-N 1 0 384.564 4.299 20 0 GIADRO CCCOc1c(Cl)cc(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)cc1OC ZINC000058966214 823476797 /nfs/dbraw/zinc/47/67/97/823476797.db2.gz OLVKXCYFENGGCX-INIZCTEOSA-N 1 0 396.959 4.379 20 0 GIADRO O=C(c1ncoc1-c1ccccc1Cl)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000460680466 823476855 /nfs/dbraw/zinc/47/68/55/823476855.db2.gz SICOBCCCULIQLN-UHFFFAOYSA-N 1 0 395.890 4.343 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccc(OC2CCC2)cc1Cl ZINC000123194959 823476922 /nfs/dbraw/zinc/47/69/22/823476922.db2.gz NKBSUXPQBKHFSS-LJQANCHMSA-N 1 0 388.895 4.431 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCC[C@H]1Cc1ccccc1 ZINC000410369849 823477768 /nfs/dbraw/zinc/47/77/68/823477768.db2.gz GCKJVRQSNRKKMS-QHCPKHFHSA-N 1 0 379.548 4.444 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)Nc1ccc(-n2cccn2)cc1 ZINC000410371647 823478781 /nfs/dbraw/zinc/47/87/81/823478781.db2.gz GILHSRSSFXCSOA-UHFFFAOYSA-N 1 0 377.492 4.034 20 0 GIADRO C[C@@H]1CN(C(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)C[C@H](c2ccsc2)O1 ZINC000573308839 823479050 /nfs/dbraw/zinc/47/90/50/823479050.db2.gz KUVGIFXMQHMSNK-GQWLDOHISA-N 1 0 395.528 4.073 20 0 GIADRO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000177505979 823479113 /nfs/dbraw/zinc/47/91/13/823479113.db2.gz IXPVFJSEIGTLMP-GFCCVEGCSA-N 1 0 375.822 4.308 20 0 GIADRO O=C(c1ccc2c(c1)C[NH2+]C2)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000573322189 823479827 /nfs/dbraw/zinc/47/98/27/823479827.db2.gz SIEZVEMHAKZLSF-LJQANCHMSA-N 1 0 378.369 4.020 20 0 GIADRO CSc1ccccc1NC(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000410375074 823479893 /nfs/dbraw/zinc/47/98/93/823479893.db2.gz ZJCOGLOCNDKQTA-CALCHBBNSA-N 1 0 399.560 4.339 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3OC)cc2)C1 ZINC000177517028 823480647 /nfs/dbraw/zinc/48/06/47/823480647.db2.gz DZUBGLMTXDDTAY-KRWDZBQOSA-N 1 0 383.492 4.293 20 0 GIADRO C[N@H+](CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)[C@@H]1CCc2ccccc21 ZINC000029490183 820463416 /nfs/dbraw/zinc/46/34/16/820463416.db2.gz HCHXAACNNDOIQO-XMMPIXPASA-N 1 0 385.511 4.403 20 0 GIADRO Cc1c(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cnn1-c1cccc(C)c1 ZINC000029510352 820466191 /nfs/dbraw/zinc/46/61/91/820466191.db2.gz OTZDLMLBLJHMHM-QHCPKHFHSA-N 1 0 388.515 4.056 20 0 GIADRO Cc1nc(-c2ccccc2)sc1C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000059000943 823481241 /nfs/dbraw/zinc/48/12/41/823481241.db2.gz GMXXRTQCNRCHQQ-UHFFFAOYSA-N 1 0 397.519 4.462 20 0 GIADRO C[C@@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)N1CC[NH+](CC2CC2)CC1 ZINC000123227962 823481656 /nfs/dbraw/zinc/48/16/56/823481656.db2.gz NWDWKMODCLKUJC-LBPRGKRZSA-N 1 0 381.307 4.132 20 0 GIADRO C[N@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)[C@@H]1CCCc2ccccc21 ZINC000029702596 820500930 /nfs/dbraw/zinc/50/09/30/820500930.db2.gz UQXIULUOQBXTIA-PZJWPPBQSA-N 1 0 382.467 4.233 20 0 GIADRO COc1ccc2nc(C)c(C(=O)NCc3ccc(C[NH+]4CCCC4)cc3)cc2c1 ZINC000029705852 820501663 /nfs/dbraw/zinc/50/16/63/820501663.db2.gz MOEGOHCYTKFBCQ-UHFFFAOYSA-N 1 0 389.499 4.078 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@H+]1CC[C@H](c2ccccc2)[C@@H]1C ZINC000177533074 823484310 /nfs/dbraw/zinc/48/43/10/823484310.db2.gz IYNDVJFQZZMTSP-AVRDEDQJSA-N 1 0 388.515 4.306 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)cc1 ZINC000029711574 820503983 /nfs/dbraw/zinc/50/39/83/820503983.db2.gz BKQJOSYCCZKWKE-IAGOWNOFSA-N 1 0 383.492 4.090 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)Nc1ccccc1OC(C)C)[NH+]1CCCC1 ZINC000059054510 823484633 /nfs/dbraw/zinc/48/46/33/823484633.db2.gz PHJLCHLVFTWFAI-FQEVSTJZSA-N 1 0 397.519 4.441 20 0 GIADRO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1ccc(N2CCCCCC2)nc1 ZINC000029785204 820518339 /nfs/dbraw/zinc/51/83/39/820518339.db2.gz JMGQCJXKSDWYQJ-UHFFFAOYSA-N 1 0 378.520 4.310 20 0 GIADRO CN(Cc1ccccc1Br)C(=O)C[N@H+](C)[C@H]1CCc2ccccc21 ZINC000029810611 820522801 /nfs/dbraw/zinc/52/28/01/820522801.db2.gz LVMLQXQRWHAFND-IBGZPJMESA-N 1 0 387.321 4.027 20 0 GIADRO CC(C)N(C(=O)C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1)c1ccccc1 ZINC000029824796 820524956 /nfs/dbraw/zinc/52/49/56/820524956.db2.gz GHZBZPYNSRPLBQ-GOSISDBHSA-N 1 0 377.488 4.449 20 0 GIADRO COc1ccc(-c2nnc(C[N@@H+]3CCC[C@H](c4nc5ccccc5o4)C3)o2)cc1 ZINC000029827708 820526688 /nfs/dbraw/zinc/52/66/88/820526688.db2.gz BWZWFPUTENDCOF-INIZCTEOSA-N 1 0 390.443 4.266 20 0 GIADRO Cc1ccccc1CNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029830794 820528262 /nfs/dbraw/zinc/52/82/62/820528262.db2.gz DKNGDPLZLCRQNM-PKOBYXMFSA-N 1 0 377.488 4.021 20 0 GIADRO COc1ccc(OC)c([C@H](C)NC(=O)C[N@H+](Cc2ccccc2)[C@@H](C)C2CC2)c1 ZINC000029842822 820530694 /nfs/dbraw/zinc/53/06/94/820530694.db2.gz LYMZPVJGSZWBIA-ROUUACIJSA-N 1 0 396.531 4.182 20 0 GIADRO C[C@H](C1CC1)[N@H+](CC(=O)N1CCc2[nH]c3ccccc3c2C1)Cc1ccccc1 ZINC000029844636 820531524 /nfs/dbraw/zinc/53/15/24/820531524.db2.gz LYUJMDWLWSXQCP-GOSISDBHSA-N 1 0 387.527 4.353 20 0 GIADRO C[NH+](C)CCOc1cccc(CNC(=O)NC2CCC(c3ccccc3)CC2)c1 ZINC000410408849 823489682 /nfs/dbraw/zinc/48/96/82/823489682.db2.gz BMYKPWXZCMSMGA-UHFFFAOYSA-N 1 0 395.547 4.153 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](C)c1c(F)cccc1F ZINC000123279835 823489766 /nfs/dbraw/zinc/48/97/66/823489766.db2.gz XNKJQHNEHGRFME-PKOBYXMFSA-N 1 0 386.486 4.439 20 0 GIADRO CC[C@H](CNC(=O)CCc1nc2ccccc2s1)[N@@H+]1CCc2ccccc2C1 ZINC000029909312 820546056 /nfs/dbraw/zinc/54/60/56/820546056.db2.gz YNFPUHXCDXOXTF-LJQANCHMSA-N 1 0 393.556 4.182 20 0 GIADRO CC[C@H](CNC(=O)c1cc2ccc(F)cc2nc1C)[N@@H+]1CCc2ccccc2C1 ZINC000029911718 820546776 /nfs/dbraw/zinc/54/67/76/820546776.db2.gz XNIGTCMSKDMZMF-OAQYLSRUSA-N 1 0 391.490 4.249 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1c(C)onc1-c1ccccc1)Cc1ccccc1 ZINC000029916580 820547410 /nfs/dbraw/zinc/54/74/10/820547410.db2.gz KXJXOVVEXUUHHC-OAQYLSRUSA-N 1 0 391.515 4.333 20 0 GIADRO CC[N@H+](CC(=O)N(Cc1ccccc1)[C@@H](C)c1cccc(NC(C)=O)c1)C1CC1 ZINC000029914264 820547473 /nfs/dbraw/zinc/54/74/73/820547473.db2.gz SKTYATBDGCBLQB-SFHVURJKSA-N 1 0 393.531 4.219 20 0 GIADRO C[C@@H]1C[N@@H+](C2CCN(Cc3cc(Cl)cc(C(F)(F)F)c3)CC2)CCO1 ZINC000189751495 823487880 /nfs/dbraw/zinc/48/78/80/823487880.db2.gz JXCRDESZBHMMTE-CYBMUJFWSA-N 1 0 376.850 4.044 20 0 GIADRO CCCCNC(=O)C1CC[NH+](Cc2ccc(C(=O)Nc3ccccc3)cc2)CC1 ZINC000029928437 820550166 /nfs/dbraw/zinc/55/01/66/820550166.db2.gz OOOQQNKEOBUWBW-UHFFFAOYSA-N 1 0 393.531 4.067 20 0 GIADRO Cc1cccc(COc2ccc(CNC(=O)N3CCC(C[NH+](C)C)CC3)cc2)c1 ZINC000410402783 823488021 /nfs/dbraw/zinc/48/80/21/823488021.db2.gz CQPATZMWYGMMRG-UHFFFAOYSA-N 1 0 395.547 4.057 20 0 GIADRO COc1cccc(OC)c1OCCCC[N@@H+]1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000573402623 823488278 /nfs/dbraw/zinc/48/82/78/823488278.db2.gz HYQUSLVIQOPNQU-GCJKJVERSA-N 1 0 385.504 4.325 20 0 GIADRO Cc1ccc(C(=O)Nc2ccc(C[NH+](C)C)cc2)cc1NC(=O)c1ccco1 ZINC000029953629 820556299 /nfs/dbraw/zinc/55/62/99/820556299.db2.gz HHLHTAQGJVINAD-UHFFFAOYSA-N 1 0 377.444 4.154 20 0 GIADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)CCc2ccccc2O)C1 ZINC000059286789 823489916 /nfs/dbraw/zinc/48/99/16/823489916.db2.gz IKIGHWIQKNUFQO-RTBURBONSA-N 1 0 380.532 4.119 20 0 GIADRO CCc1cc2c(ncnc2NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)s1 ZINC000030001571 820565961 /nfs/dbraw/zinc/56/59/61/820565961.db2.gz ULVNCGKEODOOMO-HOTGVXAUSA-N 1 0 396.560 4.475 20 0 GIADRO C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000059274476 823488993 /nfs/dbraw/zinc/48/89/93/823488993.db2.gz XGZCSDGUSUFCOL-SFHVURJKSA-N 1 0 395.547 4.142 20 0 GIADRO C[C@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)[N@H+](C)CC1(O)CCOCC1 ZINC000189757395 823488989 /nfs/dbraw/zinc/48/89/89/823488989.db2.gz AIHZCFKADAOWQG-GFCCVEGCSA-N 1 0 385.291 4.183 20 0 GIADRO COc1cc(Br)c(C[NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)cc1O ZINC000573468501 823493715 /nfs/dbraw/zinc/49/37/15/823493715.db2.gz ZXBNYYBNARBHGP-NNUKFRKNSA-N 1 0 380.257 4.338 20 0 GIADRO Cc1ccccc1C[N@@H+]1CCCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000030153959 820580345 /nfs/dbraw/zinc/58/03/45/820580345.db2.gz UVYPIELEYRJJSA-UHFFFAOYSA-N 1 0 396.922 4.406 20 0 GIADRO COc1ccccc1COC[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000059376178 823494218 /nfs/dbraw/zinc/49/42/18/823494218.db2.gz RFDGXKCFIDCIAD-YLJYHZDGSA-N 1 0 375.896 4.063 20 0 GIADRO Cc1noc(C)c1CSc1ccccc1C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000177576470 823494889 /nfs/dbraw/zinc/49/48/89/823494889.db2.gz LTZHMABCDJKBAL-IRXDYDNUSA-N 1 0 387.549 4.186 20 0 GIADRO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1ccc(COc2ccccc2)cc1 ZINC000030362452 820604997 /nfs/dbraw/zinc/60/49/97/820604997.db2.gz ZVDONXMZWADABS-UHFFFAOYSA-N 1 0 386.495 4.054 20 0 GIADRO CC[C@@H](CNC(=O)N1CCC[C@H]1c1cccs1)[N@@H+]1CCc2ccccc2C1 ZINC000059308497 823490880 /nfs/dbraw/zinc/49/08/80/823490880.db2.gz ZEPCYMLZJYYRNK-PMACEKPBSA-N 1 0 383.561 4.432 20 0 GIADRO CC(C)c1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000123289710 823491043 /nfs/dbraw/zinc/49/10/43/823491043.db2.gz MXVKTMYMWCWSTO-OALUTQOASA-N 1 0 395.547 4.324 20 0 GIADRO C[C@H]1C[C@H]([NH2+][C@@H](CN2CCN(C)CC2)c2ccccc2)c2ccsc2S1 ZINC000573419045 823491149 /nfs/dbraw/zinc/49/11/49/823491149.db2.gz UAGKKFYQLSRQSG-VDGAXYAQSA-N 1 0 387.618 4.252 20 0 GIADRO Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)[NH2+]Cc1ccnn1C ZINC000177560560 823491234 /nfs/dbraw/zinc/49/12/34/823491234.db2.gz AZFBXGUVVHVHQO-LLVKDONJSA-N 1 0 391.338 4.465 20 0 GIADRO CC[NH+](CC)CCOc1ccc(CNC(=O)[C@H](C)c2ccc(F)c(F)c2)cc1 ZINC000460712240 823491416 /nfs/dbraw/zinc/49/14/16/823491416.db2.gz AZGUXJUFZCXRPH-MRXNPFEDSA-N 1 0 390.474 4.105 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(Cl)cn2)ccc1OC(C)C ZINC000030492577 820623318 /nfs/dbraw/zinc/62/33/18/820623318.db2.gz IMULYWXSDCVXKX-UONOGXRCSA-N 1 0 391.899 4.209 20 0 GIADRO O=C(Nc1ccc(F)cc1)[C@H]([NH2+]CCOc1cccc(F)c1)c1ccccc1 ZINC000030501090 820624731 /nfs/dbraw/zinc/62/47/31/820624731.db2.gz RNWUQTPBWJXZDL-OAQYLSRUSA-N 1 0 382.410 4.313 20 0 GIADRO C[C@@H](c1nc(-c2ccccc2)no1)N1CC[NH+](CCCCC2CCOCC2)CC1 ZINC000410420041 823492049 /nfs/dbraw/zinc/49/20/49/823492049.db2.gz FQTKFQXPGCKSOK-IBGZPJMESA-N 1 0 398.551 4.012 20 0 GIADRO CC(C)n1nccc1C[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000410420431 823492240 /nfs/dbraw/zinc/49/22/40/823492240.db2.gz JWXLWBAEVKZGFB-UHFFFAOYSA-N 1 0 378.314 4.022 20 0 GIADRO C[N@@H+](Cc1ccco1)C[C@@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000030538725 820635948 /nfs/dbraw/zinc/63/59/48/820635948.db2.gz AIXAVYWHVGOGFV-HXUWFJFHSA-N 1 0 387.426 4.157 20 0 GIADRO CCOc1ccc([C@H]([NH2+]C[C@H](O)COc2ccc(F)cc2)c2ccccc2)cc1 ZINC000030537181 820635968 /nfs/dbraw/zinc/63/59/68/820635968.db2.gz TXEVXYBKDFIGJY-XUZZJYLKSA-N 1 0 395.474 4.343 20 0 GIADRO COc1cc(C[NH2+]C[C@H](c2cccs2)N(C)C)ccc1OCc1ccncc1 ZINC000030544889 820637274 /nfs/dbraw/zinc/63/72/74/820637274.db2.gz NOWGOMKAYXCQSD-LJQANCHMSA-N 1 0 397.544 4.123 20 0 GIADRO Cc1cc(C[NH2+]C[C@@H](c2ccco2)N(C)C)cc(C)c1OCc1ccccn1 ZINC000030544447 820637303 /nfs/dbraw/zinc/63/73/03/820637303.db2.gz IXFUYMRDLZZLRC-NRFANRHFSA-N 1 0 379.504 4.263 20 0 GIADRO CC[NH+](CC)CCOc1ccc(CNC(=O)[C@H](C)c2cccc(Cl)c2)cc1 ZINC000460714823 823492730 /nfs/dbraw/zinc/49/27/30/823492730.db2.gz IPFIARFELMGVQK-QGZVFWFLSA-N 1 0 388.939 4.481 20 0 GIADRO C/C=C/c1ccc(OC[C@@H](O)C[NH+]2CCC(CC(F)(F)F)CC2)c(OC)c1 ZINC000573466266 823493285 /nfs/dbraw/zinc/49/32/85/823493285.db2.gz QBJCAVKVYFKACV-IDOMTICXSA-N 1 0 387.442 4.132 20 0 GIADRO CCN(CC)C(=O)c1ccc(C[NH2+]Cc2sc3nc(C)nc(C)c3c2C)cc1 ZINC000030637676 820655678 /nfs/dbraw/zinc/65/56/78/820655678.db2.gz WSHQKJSHSVLAII-UHFFFAOYSA-N 1 0 396.560 4.388 20 0 GIADRO c1cn(Cc2ccccc2C[NH2+]Cc2ccccc2OCc2cccnc2)cn1 ZINC000030651536 820658465 /nfs/dbraw/zinc/65/84/65/820658465.db2.gz GFKZQEURINZJIE-UHFFFAOYSA-N 1 0 384.483 4.195 20 0 GIADRO c1cnn(-c2ccc(CC[NH2+]Cc3ccccc3OCc3ccncc3)cc2)c1 ZINC000030655542 820659332 /nfs/dbraw/zinc/65/93/32/820659332.db2.gz XJVKDIGJIUSEQC-UHFFFAOYSA-N 1 0 384.483 4.179 20 0 GIADRO CC(C)C[C@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1)N(C)C ZINC000030663773 820660775 /nfs/dbraw/zinc/66/07/75/820660775.db2.gz OGMABXQPJAPFAI-JOCHJYFZSA-N 1 0 377.536 4.000 20 0 GIADRO C[C@@H](C1CC1)n1cc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000189800708 823496841 /nfs/dbraw/zinc/49/68/41/823496841.db2.gz HQSKYLPITYOBBZ-UWVAXJGDSA-N 1 0 381.524 4.029 20 0 GIADRO CN(c1ccccc1CNCc1coc(-c2ccccc2)n1)C1CC[NH+](C)CC1 ZINC000177587583 823496955 /nfs/dbraw/zinc/49/69/55/823496955.db2.gz SYIMVAQKYQFMTH-UHFFFAOYSA-N 1 0 390.531 4.162 20 0 GIADRO Cc1cccc2nc(C3CC[NH+]([C@@H](C(=O)NC4CC4)c4ccccc4)CC3)oc21 ZINC000189814120 823500361 /nfs/dbraw/zinc/50/03/61/823500361.db2.gz CAYPPUVUVMEIPW-OAQYLSRUSA-N 1 0 389.499 4.336 20 0 GIADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)c2cccc3ccccc32)[C@@H](C)C1 ZINC000410480487 823498637 /nfs/dbraw/zinc/49/86/37/823498637.db2.gz ARRMETJLQRGEQB-CVDCTZTESA-N 1 0 396.575 4.371 20 0 GIADRO c1cn(CCCc2ccccc2)c(CNC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000177597034 823498695 /nfs/dbraw/zinc/49/86/95/823498695.db2.gz MNAXPNIUKKMIPF-UHFFFAOYSA-N 1 0 388.559 4.270 20 0 GIADRO Cc1cc(C[NH2+][C@H]2CCCc3c2cnn3C)cc(C)c1OCc1ccccn1 ZINC000030908490 820706929 /nfs/dbraw/zinc/70/69/29/820706929.db2.gz VSLABXBKFFETQN-NRFANRHFSA-N 1 0 376.504 4.178 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)CCC(=O)c2ccc(Cl)cc2)CC1 ZINC000030999005 820718885 /nfs/dbraw/zinc/71/88/85/820718885.db2.gz DFQPINOPMCKXIK-UHFFFAOYSA-N 1 0 399.922 4.084 20 0 GIADRO Cc1cccc([C@H]2CCC[N@H+]2CC(=O)N(C)Cc2ccc(OC(F)F)cc2)c1 ZINC000059810969 823499569 /nfs/dbraw/zinc/49/95/69/823499569.db2.gz LFQSXXYROCZENT-HXUWFJFHSA-N 1 0 388.458 4.392 20 0 GIADRO Cc1cccc2nc(C3CC[NH+]([C@@H](C)C(=O)NCCc4cccs4)CC3)oc21 ZINC000189811358 823499702 /nfs/dbraw/zinc/49/97/02/823499702.db2.gz NWIOZGDFDMZQSW-INIZCTEOSA-N 1 0 397.544 4.125 20 0 GIADRO O=C(C[C@H](Cc1ccccc1)c1ccccc1)N1CC[NH+](C2CCCC2)CC1 ZINC000460751460 823504087 /nfs/dbraw/zinc/50/40/87/823504087.db2.gz GUKZXGBHMFXUNS-QHCPKHFHSA-N 1 0 376.544 4.490 20 0 GIADRO CC[C@@H](NC(=O)NCc1ccccc1C[NH+]1CCCC1)c1ccccc1OC ZINC000031102815 820742951 /nfs/dbraw/zinc/74/29/51/820742951.db2.gz BEWTVZUHCNURCB-OAQYLSRUSA-N 1 0 381.520 4.242 20 0 GIADRO COc1cccc([C@@H](CNC(=O)c2oc3c(c2C)c(C)ccc3C)[NH+](C)C)c1 ZINC000060021766 823505140 /nfs/dbraw/zinc/50/51/40/823505140.db2.gz KFDYBDCYMNTZES-LJQANCHMSA-N 1 0 380.488 4.399 20 0 GIADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000060061820 823506335 /nfs/dbraw/zinc/50/63/35/823506335.db2.gz SYFAKRDSLQMYPL-MGPQQGTHSA-N 1 0 391.364 4.019 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1cc2c(cccc2OC(F)F)[nH]1 ZINC000031221147 820773894 /nfs/dbraw/zinc/77/38/94/820773894.db2.gz PRAKHTFVMVNLTR-UHFFFAOYSA-N 1 0 399.441 4.295 20 0 GIADRO C[NH+](C)Cc1ccccc1NC(=O)COc1ccc(Br)cc1Cl ZINC000031232638 820775166 /nfs/dbraw/zinc/77/51/66/820775166.db2.gz QZJKRWGRUWRTMI-UHFFFAOYSA-N 1 0 397.700 4.182 20 0 GIADRO CC(C)NC(=O)Nc1cccc(C(=O)Nc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000031237666 820776466 /nfs/dbraw/zinc/77/64/66/820776466.db2.gz UKXWETYESZQJND-UHFFFAOYSA-N 1 0 380.492 4.065 20 0 GIADRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000059923851 823502927 /nfs/dbraw/zinc/50/29/27/823502927.db2.gz KCIPJDHWYXCMDM-UHFFFAOYSA-N 1 0 383.294 4.265 20 0 GIADRO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cc2c(cccc2OC(F)F)[nH]1 ZINC000031415872 820807973 /nfs/dbraw/zinc/80/79/73/820807973.db2.gz PJDYKZOVYQGPQO-MRXNPFEDSA-N 1 0 399.441 4.164 20 0 GIADRO CC(C)COC(=O)Nc1cccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000060065499 823506748 /nfs/dbraw/zinc/50/67/48/823506748.db2.gz GCNXOIGKNMBPFC-OAQYLSRUSA-N 1 0 395.503 4.494 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1cc(Cl)nc(Cl)c1 ZINC000031524474 820820691 /nfs/dbraw/zinc/82/06/91/820820691.db2.gz HMUVWIWFBZUIIN-UHFFFAOYSA-N 1 0 378.303 4.304 20 0 GIADRO CCOC(=O)c1c(C)[nH]c(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)c1C ZINC000031620947 820835416 /nfs/dbraw/zinc/83/54/16/820835416.db2.gz FQIBWSLRLWTMPQ-UHFFFAOYSA-N 1 0 383.492 4.046 20 0 GIADRO CCOC(=O)Nc1ccc(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000031620572 820835574 /nfs/dbraw/zinc/83/55/74/820835574.db2.gz NVNZRULNBQBYTL-UHFFFAOYSA-N 1 0 381.476 4.493 20 0 GIADRO CC[C@@H](C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1)c1ccc(F)cc1 ZINC000460775544 823508752 /nfs/dbraw/zinc/50/87/52/823508752.db2.gz SMZNESKFGZDUIE-FGZHOGPDSA-N 1 0 384.495 4.281 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)NCc1ccc(C)c(F)c1)c1cccc(OC)c1 ZINC000031728715 820852592 /nfs/dbraw/zinc/85/25/92/820852592.db2.gz NFMPWXTXKXXGSN-NRFANRHFSA-N 1 0 387.499 4.025 20 0 GIADRO Cn1c(C[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)nc2cc(Cl)ccc21 ZINC000123451158 823510173 /nfs/dbraw/zinc/51/01/73/823510173.db2.gz NCTKXPZZLKWLSG-UHFFFAOYSA-N 1 0 392.931 4.152 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1c(C)nn(-c2ccc(F)cc2)c1C)c1ccco1 ZINC000060156963 823510276 /nfs/dbraw/zinc/51/02/76/823510276.db2.gz IGBUXUOQAYHHSP-IBGZPJMESA-N 1 0 398.482 4.034 20 0 GIADRO C[C@H](Oc1cccc(Cl)c1)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000060159606 823510428 /nfs/dbraw/zinc/51/04/28/823510428.db2.gz YYKIVSOYGOFDAP-HKUYNNGSSA-N 1 0 386.923 4.136 20 0 GIADRO CC[NH+](CC)[C@H](C)CNC(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C ZINC000031825504 820866141 /nfs/dbraw/zinc/86/61/41/820866141.db2.gz MGEWBEYEUKZWNO-QGZVFWFLSA-N 1 0 393.535 4.139 20 0 GIADRO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(C(F)(F)F)c1 ZINC000060159782 823510558 /nfs/dbraw/zinc/51/05/58/823510558.db2.gz PASHPHLSTRRFIH-KRWDZBQOSA-N 1 0 376.422 4.347 20 0 GIADRO CCc1ccc(CCC(=O)NCC2CC[NH+](Cc3ccc(OC)cc3)CC2)cc1 ZINC000060186009 823511063 /nfs/dbraw/zinc/51/10/63/823511063.db2.gz BYRQIOBJTWLWJU-UHFFFAOYSA-N 1 0 394.559 4.219 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Cc1nc(-c2ccccc2)oc1C)c1ccsc1 ZINC000031984591 820883752 /nfs/dbraw/zinc/88/37/52/820883752.db2.gz OGLWTDDZYIJBNE-FQEVSTJZSA-N 1 0 397.544 4.453 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C)Oc1ccccc1Cl)c1ccsc1 ZINC000031983817 820883769 /nfs/dbraw/zinc/88/37/69/820883769.db2.gz FQAHYUOPNFRJML-PBHICJAKSA-N 1 0 380.941 4.368 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(-n2nccc2C)cc1)c1ccsc1 ZINC000031986153 820884679 /nfs/dbraw/zinc/88/46/79/820884679.db2.gz XZZIPPCFSQCYBR-FQEVSTJZSA-N 1 0 382.533 4.055 20 0 GIADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)C1 ZINC000060207323 823511713 /nfs/dbraw/zinc/51/17/13/823511713.db2.gz GJKSUENNSBKBII-QGZVFWFLSA-N 1 0 398.934 4.421 20 0 GIADRO O=C(NC1CC[NH+](CCc2ccncc2)CC1)c1sccc1-c1ccccc1 ZINC000060345658 823517633 /nfs/dbraw/zinc/51/76/33/823517633.db2.gz CETMPVOZHLLCJW-UHFFFAOYSA-N 1 0 391.540 4.247 20 0 GIADRO COc1cc(C[NH2+]C[C@@H](C)C[C@H](C)O)ccc1OCc1ccc(Cl)cc1 ZINC000123479169 823513097 /nfs/dbraw/zinc/51/30/97/823513097.db2.gz CTPYAVVJQHDMER-HOTGVXAUSA-N 1 0 377.912 4.424 20 0 GIADRO COc1ccc2oc(C(=O)NC[C@H]3CCC[N@H+](Cc4cccs4)C3)c(C)c2c1 ZINC000060244100 823513131 /nfs/dbraw/zinc/51/31/31/823513131.db2.gz QTICLCIZTCDADQ-MRXNPFEDSA-N 1 0 398.528 4.453 20 0 GIADRO CCOC(=O)c1csc(CC[NH2+][C@H](Cc2ccccc2)c2ccccc2)n1 ZINC000189914626 823513203 /nfs/dbraw/zinc/51/32/03/823513203.db2.gz NTAOOBGVCCSVKU-LJQANCHMSA-N 1 0 380.513 4.436 20 0 GIADRO Cc1cccc(Cl)c1NC(=O)CNC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000189956008 823517735 /nfs/dbraw/zinc/51/77/35/823517735.db2.gz IGYXYQGYLSVDIK-QZTJIDSGSA-N 1 0 399.966 4.333 20 0 GIADRO CC(C)CC(=O)Nc1ccc(C(=O)NCC2([NH+](C)C)CCCCCC2)cc1F ZINC000460793286 823513809 /nfs/dbraw/zinc/51/38/09/823513809.db2.gz NXLRFOYKIHWYQX-UHFFFAOYSA-N 1 0 391.531 4.195 20 0 GIADRO CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)NCC[NH+](C(C)C)C(C)C ZINC000032244656 820904827 /nfs/dbraw/zinc/90/48/27/820904827.db2.gz LWLLIIACTAQDBP-UHFFFAOYSA-N 1 0 397.523 4.121 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1cc(C2CC2)nc2ccccc21)c1cccc(F)c1 ZINC000032246083 820905040 /nfs/dbraw/zinc/90/50/40/820905040.db2.gz XLLDGLZSACLQRO-JOCHJYFZSA-N 1 0 377.463 4.284 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1cc(C2CC2)nc2ccccc21)c1cccc(F)c1 ZINC000032246081 820905050 /nfs/dbraw/zinc/90/50/50/820905050.db2.gz XLLDGLZSACLQRO-QFIPXVFZSA-N 1 0 377.463 4.284 20 0 GIADRO Cc1cc(C)c(Br)c(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)c1 ZINC000460793903 823514099 /nfs/dbraw/zinc/51/40/99/823514099.db2.gz MQQXFHFOKIUNKJ-QGZVFWFLSA-N 1 0 375.310 4.099 20 0 GIADRO CCc1ccc([C@H](CNC(=O)c2ncoc2-c2ccc(C)cc2)[NH+](C)C)cc1 ZINC000460795657 823514572 /nfs/dbraw/zinc/51/45/72/823514572.db2.gz ZOGVPOMLYKZSMH-FQEVSTJZSA-N 1 0 377.488 4.245 20 0 GIADRO CC(C)Oc1ccc(-c2nc(C(=O)N(C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)cs2)cc1 ZINC000123501824 823515167 /nfs/dbraw/zinc/51/51/67/823515167.db2.gz YOGIVVZNRNWGQI-DOTOQJQBSA-N 1 0 387.549 4.152 20 0 GIADRO COc1cc(C2(C(=O)NC[C@@H](c3ccc(C)cc3)[NH+]3CCCC3)CC2)ccc1C ZINC000060324398 823515879 /nfs/dbraw/zinc/51/58/79/823515879.db2.gz GFCAYLPCKWBWPY-QFIPXVFZSA-N 1 0 392.543 4.297 20 0 GIADRO COCCCOc1cccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000460802086 823516293 /nfs/dbraw/zinc/51/62/93/823516293.db2.gz DHQFTUPAIARQLV-UHFFFAOYSA-N 1 0 396.531 4.018 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1csc(-c2ccc(F)cc2)n1 ZINC000032463676 820949878 /nfs/dbraw/zinc/94/98/78/820949878.db2.gz DMJITFLHBNNCRX-UHFFFAOYSA-N 1 0 395.503 4.475 20 0 GIADRO C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000032486022 820957929 /nfs/dbraw/zinc/95/79/29/820957929.db2.gz YVLDMLDYBONGDA-DGCLKSJQSA-N 1 0 387.332 4.241 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C2(Cc3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC000189953570 823517382 /nfs/dbraw/zinc/51/73/82/823517382.db2.gz URFSYHBKYUZUDB-KRWDZBQOSA-N 1 0 398.469 4.098 20 0 GIADRO CCCc1cccc(C(C)C)c1NC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000189954097 823517486 /nfs/dbraw/zinc/51/74/86/823517486.db2.gz VRSGCLKDRAXSTN-UHFFFAOYSA-N 1 0 375.557 4.073 20 0 GIADRO O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)N1CCC([NH+]2CCCC2)CC1 ZINC000123582060 823523582 /nfs/dbraw/zinc/52/35/82/823523582.db2.gz CQWXHUCLWMWHCV-HXUWFJFHSA-N 1 0 383.536 4.093 20 0 GIADRO Cc1ccc(-c2nnc([C@@H](C)[NH2+]CC3(N4CCOCC4)CCCCC3)o2)cc1C ZINC000123535518 823518694 /nfs/dbraw/zinc/51/86/94/823518694.db2.gz CXCHKPIYPQIKJW-LJQANCHMSA-N 1 0 398.551 4.039 20 0 GIADRO CCOc1ccc(CCC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)cc1 ZINC000060355301 823519022 /nfs/dbraw/zinc/51/90/22/823519022.db2.gz IMPGFIZABADQDB-UHFFFAOYSA-N 1 0 394.559 4.185 20 0 GIADRO COc1cc(C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)ccc1OCCC(C)C ZINC000060395481 823523625 /nfs/dbraw/zinc/52/36/25/823523625.db2.gz GFRHIMDTJWQKGL-UHFFFAOYSA-N 1 0 390.568 4.313 20 0 GIADRO O=S(=O)(CC[NH2+]Cc1ccc(Cl)c2cccnc12)c1ccc(Cl)cc1 ZINC000177749087 823520223 /nfs/dbraw/zinc/52/02/23/823520223.db2.gz CPWIKJNCJDXVHP-UHFFFAOYSA-N 1 0 395.311 4.105 20 0 GIADRO CC(=O)c1ccc(-c2ccc(C(=O)NC[C@@H](c3cccc(F)c3)[NH+](C)C)o2)cc1 ZINC000032729389 820997813 /nfs/dbraw/zinc/99/78/13/820997813.db2.gz XJUJGBODAXGXRD-FQEVSTJZSA-N 1 0 394.446 4.321 20 0 GIADRO COc1cc(F)c([C@H](C)[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)cc1OC ZINC000177750084 823520347 /nfs/dbraw/zinc/52/03/47/823520347.db2.gz QJUOKCUDEQRWMH-KGLIPLIRSA-N 1 0 388.439 4.211 20 0 GIADRO Cc1cccc(-c2nc(CC(=O)NC[C@@H](c3cccc(F)c3)[NH+](C)C)cs2)c1 ZINC000032729676 820998579 /nfs/dbraw/zinc/99/85/79/820998579.db2.gz JTFWZMBFSKBDGD-FQEVSTJZSA-N 1 0 397.519 4.219 20 0 GIADRO Cc1nc(-c2cccs2)ccc1C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000032729836 820998910 /nfs/dbraw/zinc/99/89/10/820998910.db2.gz VQXYBKNHHFXFEH-LJQANCHMSA-N 1 0 383.492 4.290 20 0 GIADRO CCc1ccc([C@@H](CNC(=O)c2cc3cc(OC)ccc3nc2C)[NH+](C)C)cc1 ZINC000032734136 821000326 /nfs/dbraw/zinc/00/03/26/821000326.db2.gz QBICUPABRVUPHO-HSZRJFAPSA-N 1 0 391.515 4.147 20 0 GIADRO CCc1ccc([C@H](CNC(=O)Cc2c(C)nc3ccccc3c2C)[NH+](C)C)cc1 ZINC000032734602 821000717 /nfs/dbraw/zinc/00/07/17/821000717.db2.gz QOSIJYOVAAVOHP-DEOSSOPVSA-N 1 0 389.543 4.376 20 0 GIADRO CCCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000189978112 823520610 /nfs/dbraw/zinc/52/06/10/823520610.db2.gz RLYMZNNVWHZTBE-LJQANCHMSA-N 1 0 387.568 4.339 20 0 GIADRO Cc1cc(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)cc(C)c1OCc1cccnc1 ZINC000032737662 821001723 /nfs/dbraw/zinc/00/17/23/821001723.db2.gz YGVRYOTUYJBIHH-UXHICEINSA-N 1 0 395.547 4.270 20 0 GIADRO Cc1ccc(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)cc1NC(=O)c1ccccc1 ZINC000032737534 821001973 /nfs/dbraw/zinc/00/19/73/821001973.db2.gz FYSRGSKJVSKCIN-MOPGFXCFSA-N 1 0 393.531 4.240 20 0 GIADRO Cc1nn(CC(C)C)c(C)c1CCC(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000032737967 821002106 /nfs/dbraw/zinc/00/21/06/821002106.db2.gz KUUXBEPBPSJREP-UHFFFAOYSA-N 1 0 398.595 4.245 20 0 GIADRO C[C@@H](Oc1cccc(Cl)c1)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000032761557 821004702 /nfs/dbraw/zinc/00/47/02/821004702.db2.gz ZJCWOOCSQVTJMY-RHSMWYFYSA-N 1 0 378.925 4.122 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)c2ccc(-n3nc(C)cc3C)cc2)CC1 ZINC000123556703 823520969 /nfs/dbraw/zinc/52/09/69/823520969.db2.gz LBRLJURPGRRHDK-UHFFFAOYSA-N 1 0 382.552 4.073 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1)c1ccc(-n2cccn2)cc1 ZINC000177754595 823520978 /nfs/dbraw/zinc/52/09/78/823520978.db2.gz GOIREBMAPCJBRK-IAGOWNOFSA-N 1 0 376.460 4.241 20 0 GIADRO O=C(CCC(=O)c1ccc(Cl)cc1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000032763335 821005084 /nfs/dbraw/zinc/00/50/84/821005084.db2.gz UUZJKCMCFCWFGS-QGZVFWFLSA-N 1 0 390.936 4.318 20 0 GIADRO O=C(CCc1ccc(OC(F)F)cc1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000032762891 821005123 /nfs/dbraw/zinc/00/51/23/821005123.db2.gz LNDBZTSZRSELSN-KRWDZBQOSA-N 1 0 394.487 4.235 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1F)c1ccc(OCC(F)(F)F)cc1 ZINC000177754797 823521043 /nfs/dbraw/zinc/52/10/43/823521043.db2.gz ZZEUXOYUWQUBIF-GTNSWQLSSA-N 1 0 375.337 4.290 20 0 GIADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cnc(Cc3ccc(F)cc3)s2)C1 ZINC000060373624 823521146 /nfs/dbraw/zinc/52/11/46/823521146.db2.gz OYWSCMQWECTQEA-HNNXBMFYSA-N 1 0 389.540 4.113 20 0 GIADRO CCC(CC)(Cc1nc2ccccc2s1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000032923901 821019324 /nfs/dbraw/zinc/01/93/24/821019324.db2.gz VPMOVZFJPQFBJJ-UHFFFAOYSA-N 1 0 385.577 4.388 20 0 GIADRO CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2cc(Cl)ccc2Cl)cc1 ZINC000190000286 823523979 /nfs/dbraw/zinc/52/39/79/823523979.db2.gz UGHBFFZNFXKMMW-WBMJQRKESA-N 1 0 397.302 4.042 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)c2ccc(-n3nc(C)c(Cl)c3C)cc2)CC1 ZINC000060403939 823524003 /nfs/dbraw/zinc/52/40/03/823524003.db2.gz UZYKXUHVNRTQPW-UHFFFAOYSA-N 1 0 388.943 4.089 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)c1 ZINC000033084921 821032149 /nfs/dbraw/zinc/03/21/49/821032149.db2.gz BIWCVBUDIJZDMP-UHFFFAOYSA-N 1 0 399.947 4.384 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)COC(c2ccccc2)c2ccccc2)c1 ZINC000033084301 821032160 /nfs/dbraw/zinc/03/21/60/821032160.db2.gz RSPQJQGMDCAKII-UHFFFAOYSA-N 1 0 388.511 4.171 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)[C@H](C)c1nc2ccccc2s1 ZINC000177774363 823524100 /nfs/dbraw/zinc/52/41/00/823524100.db2.gz HLELXBHGOAPJFS-HOTGVXAUSA-N 1 0 377.517 4.218 20 0 GIADRO CCO[C@@H]1C[C@@](CO)([NH2+]CC(=O)Nc2c(C(C)C)cccc2C(C)C)C1(C)C ZINC000189995010 823523243 /nfs/dbraw/zinc/52/32/43/823523243.db2.gz OMZSYNZRFUIQFX-XXBNENTESA-N 1 0 390.568 4.028 20 0 GIADRO Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000060394935 823523332 /nfs/dbraw/zinc/52/33/32/823523332.db2.gz JKYKYHCBTQWYPR-UHFFFAOYSA-N 1 0 393.597 4.234 20 0 GIADRO Cc1cc(OCCCC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)ccc1Cl ZINC000060394769 823523343 /nfs/dbraw/zinc/52/33/43/823523343.db2.gz DYWXSFSNDCTZSX-UHFFFAOYSA-N 1 0 380.960 4.386 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)c2ccc(C3SCCS3)cc2)CC1 ZINC000060395056 823523362 /nfs/dbraw/zinc/52/33/62/823523362.db2.gz QSTRWHQYCKHGDV-UHFFFAOYSA-N 1 0 378.607 4.358 20 0 GIADRO CC1CC[NH+](Cc2ccccc2CNC(=O)CCC(=O)c2ccc(F)cc2)CC1 ZINC000060441188 823528040 /nfs/dbraw/zinc/52/80/40/823528040.db2.gz DNDXYILPHCBCGX-UHFFFAOYSA-N 1 0 396.506 4.337 20 0 GIADRO CC1CC[NH+](Cc2ccccc2CNC(=O)CCOc2cccc(F)c2)CC1 ZINC000060441486 823528208 /nfs/dbraw/zinc/52/82/08/823528208.db2.gz OANHVHQWTFUQAF-UHFFFAOYSA-N 1 0 384.495 4.143 20 0 GIADRO CC[C@H](C(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1C)[NH+](CC)CC ZINC000460850230 823528358 /nfs/dbraw/zinc/52/83/58/823528358.db2.gz ZDKHVAYIPMETCG-LJQANCHMSA-N 1 0 383.540 4.039 20 0 GIADRO Cc1csc(SCc2ccccc2C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)n1 ZINC000123643676 823528631 /nfs/dbraw/zinc/52/86/31/823528631.db2.gz FYWJJHQNTQQPBY-WBVHZDCISA-N 1 0 389.590 4.299 20 0 GIADRO O=C(CCCOc1ccccc1)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000036099608 821068978 /nfs/dbraw/zinc/06/89/78/821068978.db2.gz WADONYBZNMFUTP-OAQYLSRUSA-N 1 0 386.923 4.452 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)Cc2csc(-c3ccccc3)n2)[NH+](C)C)cc1 ZINC000036193071 821069527 /nfs/dbraw/zinc/06/95/27/821069527.db2.gz RKRXURZEGNADFZ-HXUWFJFHSA-N 1 0 379.529 4.080 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)c2ccc(OC(C)C)c(OC)c2)CC1 ZINC000123647983 823528989 /nfs/dbraw/zinc/52/89/89/823528989.db2.gz WMBOVZYFHPIIBS-UHFFFAOYSA-N 1 0 376.541 4.067 20 0 GIADRO C[C@@H]1[C@@H](C(=O)NCc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)C1(F)F ZINC000460853310 823529016 /nfs/dbraw/zinc/52/90/16/823529016.db2.gz GXCUNZNTVATYIS-IERDGZPVSA-N 1 0 384.470 4.467 20 0 GIADRO CC1CC[NH+]([C@@H](CNC(=O)Cc2c[nH]c3ccccc23)c2cccs2)CC1 ZINC000036310322 821071151 /nfs/dbraw/zinc/07/11/51/821071151.db2.gz NKBCIQZVOGPFME-FQEVSTJZSA-N 1 0 381.545 4.361 20 0 GIADRO COc1cccc([C@@H](CNC(=O)Cc2cccc3ccccc32)[NH+]2CCCC2)c1 ZINC000036350573 821071626 /nfs/dbraw/zinc/07/16/26/821071626.db2.gz VBCIAFLYBMGTKE-XMMPIXPASA-N 1 0 388.511 4.344 20 0 GIADRO CC[C@H]([NH2+]CCCS(=O)(=O)c1ccccc1)c1ccccc1OC(F)F ZINC000177812167 823529116 /nfs/dbraw/zinc/52/91/16/823529116.db2.gz NOCVAWPQTOJJPY-KRWDZBQOSA-N 1 0 383.460 4.193 20 0 GIADRO O=C(CCCc1c[nH]c2ccccc12)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000036684482 821075450 /nfs/dbraw/zinc/07/54/50/821075450.db2.gz HPMKCWFDGBPKQX-NRFANRHFSA-N 1 0 379.504 4.427 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)CCc1ccc(-c2ccccc2)o1)c1cccc(F)c1 ZINC000036684765 821075733 /nfs/dbraw/zinc/07/57/33/821075733.db2.gz JVALSCQLEBSNHT-OAQYLSRUSA-N 1 0 380.463 4.437 20 0 GIADRO CC(C)(C)OC(=O)N1CCC(C)([NH2+]Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000190006482 823524811 /nfs/dbraw/zinc/52/48/11/823524811.db2.gz BJCKGRFGFJZAOK-UHFFFAOYSA-N 1 0 398.507 4.148 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)Nc2nc3c(s2)CCCC3)CC1 ZINC000177778909 823524957 /nfs/dbraw/zinc/52/49/57/823524957.db2.gz HTABDEBSGLNEOR-UHFFFAOYSA-N 1 0 384.549 4.150 20 0 GIADRO O=C(CCC(=O)c1ccc(Cl)cc1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000036883630 821088905 /nfs/dbraw/zinc/08/89/05/821088905.db2.gz RASKYHNLODFXSE-FQEVSTJZSA-N 1 0 384.907 4.256 20 0 GIADRO COc1cc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)ccc1OC(C)C ZINC000036883657 821089104 /nfs/dbraw/zinc/08/91/04/821089104.db2.gz MGBKQNNJNTXCHB-FQEVSTJZSA-N 1 0 382.504 4.049 20 0 GIADRO COc1ccc([C@H](CNC(=O)CCc2ccc(Cl)cc2)[NH+]2CCCC2)cc1 ZINC000037124722 821090041 /nfs/dbraw/zinc/09/00/41/821090041.db2.gz RSELJUDJYDIYDH-NRFANRHFSA-N 1 0 386.923 4.235 20 0 GIADRO C[C@@H]([NH2+]C[C@H](O)c1ccccc1C(F)(F)F)c1ccc(-n2cccn2)cc1 ZINC000177779640 823525215 /nfs/dbraw/zinc/52/52/15/823525215.db2.gz AXKCQWVLOQDVQJ-KUHUBIRLSA-N 1 0 375.394 4.275 20 0 GIADRO COc1ccc(C)cc1NC(=O)C[NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000177815380 823529639 /nfs/dbraw/zinc/52/96/39/823529639.db2.gz KUURXJOQROAXSC-AWEZNQCLSA-N 1 0 396.409 4.234 20 0 GIADRO Cn1ccc2cccc(NC(=O)N(CC[NH+](C)C)Cc3ccc(F)cc3F)c21 ZINC000190009331 823525256 /nfs/dbraw/zinc/52/52/56/823525256.db2.gz CJWPOEKKTONZSO-UHFFFAOYSA-N 1 0 386.446 4.052 20 0 GIADRO CCOc1cccc(C[NH2+][C@@H](C)c2ccc(Br)cc2OC)c1O ZINC000190447757 823575816 /nfs/dbraw/zinc/57/58/16/823575816.db2.gz UPDBGIKQVYNJOE-LBPRGKRZSA-N 1 0 380.282 4.413 20 0 GIADRO C[C@@H]([NH2+]C[C@H](O)c1ccccc1C(F)(F)F)c1ccc(N2CCCC2=O)cc1 ZINC000177779915 823525413 /nfs/dbraw/zinc/52/54/13/823525413.db2.gz LGSRWOWLIQAOFO-KUHUBIRLSA-N 1 0 392.421 4.216 20 0 GIADRO C[C@@H]1C[N@@H+](CCCCNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2Cl)C[C@H](C)O1 ZINC000123659907 823529662 /nfs/dbraw/zinc/52/96/62/823529662.db2.gz CIWROMANYXODIO-LTCOOKNTSA-N 1 0 399.362 4.103 20 0 GIADRO COc1cccc2cc(C(=O)NCC3CC[NH+](Cc4cccs4)CC3)oc21 ZINC000038584569 821097907 /nfs/dbraw/zinc/09/79/07/821097907.db2.gz YZGFKSVAQSEKGE-UHFFFAOYSA-N 1 0 384.501 4.145 20 0 GIADRO Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000038629084 821098403 /nfs/dbraw/zinc/09/84/03/821098403.db2.gz JQVTXDLLKPDMCM-HNNXBMFYSA-N 1 0 389.908 4.398 20 0 GIADRO C[C@@H]1C[NH+](CCCCNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2Cl)C[C@@H](C)O1 ZINC000123660331 823529724 /nfs/dbraw/zinc/52/97/24/823529724.db2.gz CIWROMANYXODIO-DTTOXWODSA-N 1 0 399.362 4.103 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000060425940 823525899 /nfs/dbraw/zinc/52/58/99/823525899.db2.gz VHBPXDNSJGTOQH-GPZRYRNASA-N 1 0 393.487 4.299 20 0 GIADRO CC(C)C(=O)N1CCC[N@H+](Cc2cccc(OCc3ccccc3F)c2)CC1 ZINC000123615124 823526218 /nfs/dbraw/zinc/52/62/18/823526218.db2.gz UOUGPRWEJRLLDH-UHFFFAOYSA-N 1 0 384.495 4.095 20 0 GIADRO O=C(Nc1ccc(-c2cc[nH]n2)cc1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000123620517 823526731 /nfs/dbraw/zinc/52/67/31/823526731.db2.gz KRWMHYGQVXNSHI-UHFFFAOYSA-N 1 0 381.524 4.197 20 0 GIADRO CCC[N@@H+]1CC[C@H](CNC(=O)N(Cc2cc(F)ccc2F)C2CCCC2)C1 ZINC000177794627 823526880 /nfs/dbraw/zinc/52/68/80/823526880.db2.gz FUOLTOTZWWSRCN-MRXNPFEDSA-N 1 0 379.495 4.151 20 0 GIADRO O=C(NCc1nc(C2CC2)cs1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000123627854 823527258 /nfs/dbraw/zinc/52/72/58/823527258.db2.gz GDHCFTGYVSXXGU-YQQQUEKLSA-N 1 0 396.560 4.015 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000177828230 823532199 /nfs/dbraw/zinc/53/21/99/823532199.db2.gz KMMIHCMAPDIMEE-STQMWFEESA-N 1 0 387.423 4.401 20 0 GIADRO CCOc1ccccc1OCC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000060475263 823532243 /nfs/dbraw/zinc/53/22/43/823532243.db2.gz IITBGDLVGDGDSH-LJQANCHMSA-N 1 0 396.531 4.155 20 0 GIADRO COc1ccccc1C[C@H]([NH2+]Cc1ccc(C(=O)N2CCCC2)cc1)C(C)C ZINC000177846928 823535585 /nfs/dbraw/zinc/53/55/85/823535585.db2.gz VGCYWTMJMWLIKG-QFIPXVFZSA-N 1 0 380.532 4.288 20 0 GIADRO CCOc1ccc(C(=O)N2CCC([NH2+][C@H](C)c3cc(C)ccc3OC)CC2)cc1 ZINC000177829115 823532467 /nfs/dbraw/zinc/53/24/67/823532467.db2.gz RIPYZEHCKSNQQZ-GOSISDBHSA-N 1 0 396.531 4.358 20 0 GIADRO O=C(CC[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1)Nc1ccc(F)cc1 ZINC000060482317 823532821 /nfs/dbraw/zinc/53/28/21/823532821.db2.gz HKCZENVCRCIGRN-UHFFFAOYSA-N 1 0 388.870 4.403 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)Cc1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC000040615248 821162251 /nfs/dbraw/zinc/16/22/51/821162251.db2.gz AFYZVSBEBFQKGU-FQEVSTJZSA-N 1 0 386.923 4.235 20 0 GIADRO COc1ccc([C@H](C)CC(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1 ZINC000040654384 821163444 /nfs/dbraw/zinc/16/34/44/821163444.db2.gz AXEBQKGJHZMETD-XXBNENTESA-N 1 0 380.532 4.451 20 0 GIADRO COc1ccc([C@H](C)CC(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1 ZINC000040654383 821163506 /nfs/dbraw/zinc/16/35/06/821163506.db2.gz AXEBQKGJHZMETD-AUSIDOKSSA-N 1 0 380.532 4.451 20 0 GIADRO CC1CC[NH+]([C@@H](CNC(=O)CCC(=O)c2ccc(F)cc2)c2ccccc2)CC1 ZINC000040654479 821164144 /nfs/dbraw/zinc/16/41/44/821164144.db2.gz SLJDHLJGPRYQKF-QFIPXVFZSA-N 1 0 396.506 4.378 20 0 GIADRO Cc1ccc(-c2cnc(CCC(=O)NC[C@@H](c3ccc(F)cc3)[NH+](C)C)o2)cc1 ZINC000041021284 821168129 /nfs/dbraw/zinc/16/81/29/821168129.db2.gz UHFPVRIUYMUHRF-FQEVSTJZSA-N 1 0 395.478 4.141 20 0 GIADRO CN(Cc1ccc(OC(F)F)cc1)C(=O)C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000041106766 821170417 /nfs/dbraw/zinc/17/04/17/821170417.db2.gz ONDLDQMJRKGGDY-INIZCTEOSA-N 1 0 380.460 4.145 20 0 GIADRO CC(C)C[NH+]1CCC(N[C@@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)CC1 ZINC000177837141 823534048 /nfs/dbraw/zinc/53/40/48/823534048.db2.gz LDGQXIYMBMVAFA-SFHVURJKSA-N 1 0 392.609 4.174 20 0 GIADRO Cc1ccc(C(=O)CCC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)s1 ZINC000041315213 821182307 /nfs/dbraw/zinc/18/23/07/821182307.db2.gz UPTCWBLUTFZVHC-UHFFFAOYSA-N 1 0 384.545 4.062 20 0 GIADRO COc1ccc(C[C@@H]([NH2+]Cc2cccc(CO)c2)c2ccc(OC)cc2)cc1 ZINC000177840494 823534451 /nfs/dbraw/zinc/53/44/51/823534451.db2.gz JZTDGZLQTWJKRP-XMMPIXPASA-N 1 0 377.484 4.270 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Cc1coc(-c2ccccc2)n1)c1ccsc1 ZINC000041441178 821192678 /nfs/dbraw/zinc/19/26/78/821192678.db2.gz NJEVFRPGZLEELQ-IBGZPJMESA-N 1 0 383.517 4.145 20 0 GIADRO CCc1noc(C)c1C(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000411022658 823535124 /nfs/dbraw/zinc/53/51/24/823535124.db2.gz RPIIEANRPLDJRQ-JOCHJYFZSA-N 1 0 395.547 4.308 20 0 GIADRO C[C@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2ccccc2Oc2ccccc2)CCN1C ZINC000123742126 823536438 /nfs/dbraw/zinc/53/64/38/823536438.db2.gz SQPHZIZBAHPNMB-OALUTQOASA-N 1 0 381.520 4.222 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1cccc2ccccc21)c1ccsc1 ZINC000041592742 821212976 /nfs/dbraw/zinc/21/29/76/821212976.db2.gz NQBTZTBKPFJBOR-FQEVSTJZSA-N 1 0 395.528 4.039 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1cccc2ccccc21)c1ccsc1 ZINC000041592744 821213366 /nfs/dbraw/zinc/21/33/66/821213366.db2.gz NQBTZTBKPFJBOR-HXUWFJFHSA-N 1 0 395.528 4.039 20 0 GIADRO Cc1cc(C)c(Br)c(C(=O)NC2CC[NH+](C3CCCC3)CC2)c1 ZINC000123751111 823537199 /nfs/dbraw/zinc/53/71/99/823537199.db2.gz SBNUKJSYRKURAO-UHFFFAOYSA-N 1 0 379.342 4.203 20 0 GIADRO Cc1ccc(NC(=S)NCCCC[NH+]2CCN(c3cccc(C)c3)CC2)cc1 ZINC000041741218 821220715 /nfs/dbraw/zinc/22/07/15/821220715.db2.gz JECBDHZWRUVEFK-UHFFFAOYSA-N 1 0 396.604 4.192 20 0 GIADRO C[C@@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1cccc(OC(F)(F)F)c1 ZINC000177859453 823537515 /nfs/dbraw/zinc/53/75/15/823537515.db2.gz DPQSOPNUILCMDW-CYBMUJFWSA-N 1 0 382.382 4.134 20 0 GIADRO COCCC1(C(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CCCC1 ZINC000123757885 823537994 /nfs/dbraw/zinc/53/79/94/823537994.db2.gz FBMINXWUOXAMAJ-APWZRJJASA-N 1 0 396.934 4.185 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H](C)c2sc(-c3ccccc3)nc2C)C1 ZINC000177863411 823538104 /nfs/dbraw/zinc/53/81/04/823538104.db2.gz OGJYBPPIUVIQGB-DLBZAZTESA-N 1 0 386.565 4.163 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)c2nc3ccccc3s2)CC[N@@H+]1Cc1ccccc1 ZINC000123791181 823541107 /nfs/dbraw/zinc/54/11/07/823541107.db2.gz IKRIOHZTGPUAIY-WMZOPIPTSA-N 1 0 379.529 4.421 20 0 GIADRO Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH2+]Cc1cccc(C(N)=O)c1 ZINC000060523510 823538301 /nfs/dbraw/zinc/53/83/01/823538301.db2.gz OWJQWQOAIXZRFA-UHFFFAOYSA-N 1 0 396.494 4.236 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@H](c2ccsc2)c2ccc(Cl)cc2)C1 ZINC000177864505 823538342 /nfs/dbraw/zinc/53/83/42/823538342.db2.gz FXQWPCFXYIQKTI-BEFAXECRSA-N 1 0 391.968 4.474 20 0 GIADRO Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000123765056 823538638 /nfs/dbraw/zinc/53/86/38/823538638.db2.gz NIAJDZXFZKFPDR-QGZVFWFLSA-N 1 0 388.556 4.079 20 0 GIADRO CC(C)c1ccc(NC(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)c(C(C)C)c1 ZINC000190112574 823538741 /nfs/dbraw/zinc/53/87/41/823538741.db2.gz MEPSYLDYLYKPNB-QGZVFWFLSA-N 1 0 375.557 4.242 20 0 GIADRO Cc1ccc(-n2ncc(C(=O)NCCC[N@@H+](C)C(C)C)c2C2CC2)cc1Cl ZINC000041929371 821246228 /nfs/dbraw/zinc/24/62/28/821246228.db2.gz JCEWEZYXYHJMRV-UHFFFAOYSA-N 1 0 388.943 4.172 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+]CCCc2cn(-c3ccccc3)nc2C)c1 ZINC000177869702 823538940 /nfs/dbraw/zinc/53/89/40/823538940.db2.gz ZXXKFLRPFMVUAB-KRWDZBQOSA-N 1 0 376.504 4.423 20 0 GIADRO COCc1cccc(C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000123768089 823539104 /nfs/dbraw/zinc/53/91/04/823539104.db2.gz VALICNFLRSNEPB-PXNSSMCTSA-N 1 0 390.886 4.048 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)[C@H]1CCCc2ccccc21 ZINC000060532750 823539177 /nfs/dbraw/zinc/53/91/77/823539177.db2.gz VZYXODPGCNEHKB-QFIPXVFZSA-N 1 0 380.532 4.144 20 0 GIADRO Cc1cnc([C@H]([NH2+]CCC(=O)Nc2ccccc2Br)C2CC2)s1 ZINC000411516980 823583380 /nfs/dbraw/zinc/58/33/80/823583380.db2.gz LBIXYVZXCQCXPY-MRXNPFEDSA-N 1 0 394.338 4.284 20 0 GIADRO CC[C@H]([NH2+]Cc1cccc(C(=O)N2CCCCC2)c1)c1ccc2c(c1)OCCO2 ZINC000177875329 823539733 /nfs/dbraw/zinc/53/97/33/823539733.db2.gz GYAUFICWWQBSEO-NRFANRHFSA-N 1 0 394.515 4.325 20 0 GIADRO CCNC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(F)c(Br)c2)c1 ZINC000177880856 823540367 /nfs/dbraw/zinc/54/03/67/823540367.db2.gz TYDQOQWYWBKDTD-LBPRGKRZSA-N 1 0 379.273 4.189 20 0 GIADRO COc1ccc(C(=O)C2CC[NH+](Cc3ccc(F)c4cccnc34)CC2)cc1 ZINC000042122720 821269933 /nfs/dbraw/zinc/26/99/33/821269933.db2.gz HVPKROKFGOIZKH-UHFFFAOYSA-N 1 0 378.447 4.477 20 0 GIADRO C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000042132466 821271819 /nfs/dbraw/zinc/27/18/19/821271819.db2.gz LXHRLKAGQJHERQ-RDJZCZTQSA-N 1 0 397.906 4.366 20 0 GIADRO Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)NCC(C)(C)[NH+](C)C ZINC000042159075 821276990 /nfs/dbraw/zinc/27/69/90/821276990.db2.gz BCGSNIVUVFSFOE-UHFFFAOYSA-N 1 0 395.503 4.094 20 0 GIADRO COc1ccc(C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)cn1 ZINC000042202931 821283394 /nfs/dbraw/zinc/28/33/94/821283394.db2.gz NKUMFBPZALYWGR-UHFFFAOYSA-N 1 0 384.483 4.292 20 0 GIADRO COc1cc(C[NH2+]Cc2ccc(N(C)C)nc2)ccc1OCc1cccs1 ZINC000042227511 821287925 /nfs/dbraw/zinc/28/79/25/821287925.db2.gz HMCWAFORHDHDSO-UHFFFAOYSA-N 1 0 383.517 4.087 20 0 GIADRO COc1ccc(C[NH2+]C[C@H](c2c(F)cccc2Cl)N2CCCC2)cc1O ZINC000042229726 821288994 /nfs/dbraw/zinc/28/89/94/821288994.db2.gz GNRZHPVMUULIAD-QGZVFWFLSA-N 1 0 378.875 4.120 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)N(C)Cc1ccc(F)cc1F)c1ccsc1 ZINC000042346298 821302817 /nfs/dbraw/zinc/30/28/17/821302817.db2.gz BTVOYAITZPXYCJ-SFHVURJKSA-N 1 0 381.492 4.251 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)CCC(=O)c2cc(C)sc2C)CC1 ZINC000042473050 821308460 /nfs/dbraw/zinc/30/84/60/821308460.db2.gz YUCJQUSYRGOVGS-UHFFFAOYSA-N 1 0 399.560 4.108 20 0 GIADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1sc(NC(=O)C(C)(C)C)cc1C ZINC000042537767 821309743 /nfs/dbraw/zinc/30/97/43/821309743.db2.gz KOGDLBQISFMHPY-OAHLLOKOSA-N 1 0 381.586 4.281 20 0 GIADRO CC[NH+](CC)CCC[C@H](C)NC(=O)CCc1ncc(-c2ccc(F)cc2)o1 ZINC000042538970 821310413 /nfs/dbraw/zinc/31/04/13/821310413.db2.gz UWNDZJXEGOASMH-INIZCTEOSA-N 1 0 375.488 4.040 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc3ccccc32)c1 ZINC000042636576 821317407 /nfs/dbraw/zinc/31/74/07/821317407.db2.gz PDJDNPOTJCEUIK-JKSUJKDBSA-N 1 0 375.472 4.476 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc3c(c2)CCCC3)c1 ZINC000042636594 821317529 /nfs/dbraw/zinc/31/75/29/821317529.db2.gz OTZNHYNJSRFKIL-CVEARBPZSA-N 1 0 379.504 4.202 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)OCO2)C(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000042642652 821318905 /nfs/dbraw/zinc/31/89/05/821318905.db2.gz JECJYMYVQIMJMT-ULQDDVLXSA-N 1 0 390.483 4.485 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H](C)c1cccc2ccccc21)c1ccc2c(c1)OCO2 ZINC000042642647 821318953 /nfs/dbraw/zinc/31/89/53/821318953.db2.gz BNZLIEMMMSPCGW-IKGGRYGDSA-N 1 0 390.483 4.485 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)NCCc2c[nH]c3ccccc23)c1 ZINC000042957012 821349081 /nfs/dbraw/zinc/34/90/81/821349081.db2.gz XCTWQYTVMQXRHU-UHFFFAOYSA-N 1 0 378.520 4.052 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)CCCc2ncc(-c3ccccc3)o2)c1 ZINC000043036804 821355793 /nfs/dbraw/zinc/35/57/93/821355793.db2.gz UEENADPNTQSVSO-UHFFFAOYSA-N 1 0 377.488 4.042 20 0 GIADRO Cc1oc(-c2cccs2)nc1CC(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000043086631 821359589 /nfs/dbraw/zinc/35/95/89/821359589.db2.gz YIZLVTIYYWHVDS-UHFFFAOYSA-N 1 0 397.544 4.411 20 0 GIADRO CC(C)[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccccc1)c1nc2ccccc2[nH]1 ZINC000043106524 821361801 /nfs/dbraw/zinc/36/18/01/821361801.db2.gz YEWKVOHGDPNICN-NRFANRHFSA-N 1 0 393.535 4.033 20 0 GIADRO COc1ccc([C@H](CNC(=O)N2CCC[C@@H]2c2ccsc2)[NH+]2CCCC2)cc1 ZINC000043111421 821362459 /nfs/dbraw/zinc/36/24/59/821362459.db2.gz IKCRMXKSYDAJNI-RTWAWAEBSA-N 1 0 399.560 4.440 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCC1)Nc1ccccc1Br ZINC000043133386 821364790 /nfs/dbraw/zinc/36/47/90/821364790.db2.gz QVLRFHDLVGOFPB-UHFFFAOYSA-N 1 0 388.309 4.367 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1ccccc1Br)c1cccc(F)c1 ZINC000043133606 821365252 /nfs/dbraw/zinc/36/52/52/821365252.db2.gz GLTDPUUYOSNQRN-MRXNPFEDSA-N 1 0 380.261 4.013 20 0 GIADRO C[NH+](C)CCN(Cc1ccccc1)C(=O)Nc1ccc(Br)cc1 ZINC000043134042 821365467 /nfs/dbraw/zinc/36/54/67/821365467.db2.gz HAAOLKIPDKSIPS-UHFFFAOYSA-N 1 0 376.298 4.045 20 0 GIADRO C[C@H](c1nc2ccccc2s1)N(C)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000043167285 821371693 /nfs/dbraw/zinc/37/16/93/821371693.db2.gz GNYHIEUPAALMSB-WBVHZDCISA-N 1 0 398.532 4.429 20 0 GIADRO COc1ccc([C@@H](NC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)C(C)C)cc1 ZINC000043167499 821372260 /nfs/dbraw/zinc/37/22/60/821372260.db2.gz WONXXNFSTFHERD-CTNGQTDRSA-N 1 0 385.508 4.122 20 0 GIADRO CC(C)n1cnnc1[C@@H]1CCC[N@H+](Cc2cccc(SC(=O)N(C)C)c2)C1 ZINC000180624843 821373223 /nfs/dbraw/zinc/37/32/23/821373223.db2.gz XDFRYTONKXTURM-QGZVFWFLSA-N 1 0 387.553 4.012 20 0 GIADRO CC(C)[NH+]1CCC(NC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)CC1 ZINC000043179141 821374830 /nfs/dbraw/zinc/37/48/30/821374830.db2.gz OGLRHXQGIJKHLA-UHFFFAOYSA-N 1 0 383.458 4.252 20 0 GIADRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccccc1SC)c1ccc2c(c1)OCCO2 ZINC000180638410 821377997 /nfs/dbraw/zinc/37/79/97/821377997.db2.gz OVWYNNUACLDYRL-ZBFHGGJFSA-N 1 0 386.517 4.248 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)NCc1ccc(Cl)cn1 ZINC000180639657 821378376 /nfs/dbraw/zinc/37/83/76/821378376.db2.gz TZGDVFVVOXAWGG-UHFFFAOYSA-N 1 0 386.927 4.110 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)Nc1ccc(F)c(F)c1F)[NH+]1CCCC1 ZINC000043233735 821378693 /nfs/dbraw/zinc/37/86/93/821378693.db2.gz HZHWXSFQVBIENO-MRXNPFEDSA-N 1 0 393.409 4.071 20 0 GIADRO O=C(CCc1ccc2[nH]ccc2c1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180641488 821379271 /nfs/dbraw/zinc/37/92/71/821379271.db2.gz UPOMWDAEBJFHQD-NOTZXAQLSA-N 1 0 387.527 4.412 20 0 GIADRO Cn1cc(C[N@@H+](Cc2ccccc2)C[C@H](O)c2ccco2)c(-c2ccccc2)n1 ZINC000180650354 821382887 /nfs/dbraw/zinc/38/28/87/821382887.db2.gz XJOWNFIWAVBEAR-QFIPXVFZSA-N 1 0 387.483 4.416 20 0 GIADRO COc1cccc([C@@H](CNC(=O)N2CCC[C@H]2c2ccsc2)[NH+]2CCCC2)c1 ZINC000043307001 821389092 /nfs/dbraw/zinc/38/90/92/821389092.db2.gz LPGREUPLTZKAOD-LEWJYISDSA-N 1 0 399.560 4.440 20 0 GIADRO COc1cccc([C@H](CNC(=O)N(Cc2ccccc2)C2CC2)[NH+]2CCCC2)c1 ZINC000043306864 821389370 /nfs/dbraw/zinc/38/93/70/821389370.db2.gz SPVHHLHUPVEVIE-QHCPKHFHSA-N 1 0 393.531 4.206 20 0 GIADRO Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000180671558 821390185 /nfs/dbraw/zinc/39/01/85/821390185.db2.gz RGZSMIPAQMFBOP-UHFFFAOYSA-N 1 0 394.302 4.313 20 0 GIADRO Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N1CCC([NH+](C)C)CC1 ZINC000180675649 821391414 /nfs/dbraw/zinc/39/14/14/821391414.db2.gz WWNIBZFRZZNUAV-UHFFFAOYSA-N 1 0 382.291 4.123 20 0 GIADRO Cc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccccc2)c(Br)c1 ZINC000043328433 821392484 /nfs/dbraw/zinc/39/24/84/821392484.db2.gz OIFIFQBMPADQOH-UHFFFAOYSA-N 1 0 390.325 4.353 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+]CCOc2ccccc2C(F)(F)F)s1 ZINC000180679101 821393264 /nfs/dbraw/zinc/39/32/64/821393264.db2.gz SMFBSOABKXXHJB-LBPRGKRZSA-N 1 0 388.455 4.389 20 0 GIADRO CCOc1ccccc1NC(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000043333085 821394128 /nfs/dbraw/zinc/39/41/28/821394128.db2.gz RXJGYUBHVCLTCT-FQEVSTJZSA-N 1 0 383.492 4.053 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1)c1nc(-c2ccccc2)cs1 ZINC000180685608 821394697 /nfs/dbraw/zinc/39/46/97/821394697.db2.gz QOHJJHMTGHSBQG-GJZGRUSLSA-N 1 0 376.489 4.198 20 0 GIADRO Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)c1C ZINC000180689741 821396121 /nfs/dbraw/zinc/39/61/21/821396121.db2.gz ASLUQNRLARQICO-LIRRHRJNSA-N 1 0 394.437 4.363 20 0 GIADRO COc1cc(CNC(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)ccc1O ZINC000043391119 821401239 /nfs/dbraw/zinc/40/12/39/821401239.db2.gz FRYGXMMPPOMCSA-UHFFFAOYSA-N 1 0 397.519 4.487 20 0 GIADRO Cc1c([C@H](C)NC(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)cnn1C ZINC000043390868 821401256 /nfs/dbraw/zinc/40/12/56/821401256.db2.gz HJEAMACDSHUHQT-INIZCTEOSA-N 1 0 383.540 4.376 20 0 GIADRO O[C@@]1(C[NH2+][C@@H](c2ccccc2)c2ccc(Br)cc2F)CCSC1 ZINC000180703320 821405016 /nfs/dbraw/zinc/40/50/16/821405016.db2.gz JGRHNVPSQJPAPX-ZWKOTPCHSA-N 1 0 396.325 4.135 20 0 GIADRO CCOc1ccc(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1OCC ZINC000043417099 821405393 /nfs/dbraw/zinc/40/53/93/821405393.db2.gz OUZQYDSEIMWTCM-QGZVFWFLSA-N 1 0 387.480 4.036 20 0 GIADRO O[C@@]1(C[NH2+][C@@H](c2cccc(F)c2)c2cccc(Br)c2)CCSC1 ZINC000180703579 821405864 /nfs/dbraw/zinc/40/58/64/821405864.db2.gz SGVWNURRMGDTEX-QZTJIDSGSA-N 1 0 396.325 4.135 20 0 GIADRO FC(F)(F)CN1CCC(CC[NH2+][C@H](c2ccccc2)c2ccccn2)CC1 ZINC000180711035 821410088 /nfs/dbraw/zinc/41/00/88/821410088.db2.gz YCVYQQVSROTZME-HXUWFJFHSA-N 1 0 377.454 4.425 20 0 GIADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)Nc2ccccc2N2CCCC2)CC1 ZINC000043456998 821411138 /nfs/dbraw/zinc/41/11/38/821411138.db2.gz AEWBUPUPIHUPPJ-UHFFFAOYSA-N 1 0 392.547 4.335 20 0 GIADRO CC(C)[NH2+]C1CCN(C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)CC1 ZINC000180715327 821413672 /nfs/dbraw/zinc/41/36/72/821413672.db2.gz OXSGZERVDHMSGU-GOSISDBHSA-N 1 0 383.458 4.329 20 0 GIADRO CCc1nc2c(s1)[C@H]([NH2+][C@H]1CCN(c3ccccc3Cl)C1=O)CCC2 ZINC000180726629 821419641 /nfs/dbraw/zinc/41/96/41/821419641.db2.gz AUNKVPKQWNFCQN-HIFRSBDPSA-N 1 0 375.925 4.131 20 0 GIADRO CCc1nc2c(s1)[C@H]([NH2+][C@@H]1CCN(c3ccccc3Cl)C1=O)CCC2 ZINC000180726589 821419793 /nfs/dbraw/zinc/41/97/93/821419793.db2.gz AUNKVPKQWNFCQN-UKRRQHHQSA-N 1 0 375.925 4.131 20 0 GIADRO CC[C@H]1c2ccsc2CCN1C(=O)Nc1ccccc1N1CC[NH+](CC)CC1 ZINC000043584672 821429666 /nfs/dbraw/zinc/42/96/66/821429666.db2.gz DRJJXGCEFFRHSB-IBGZPJMESA-N 1 0 398.576 4.431 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)[NH2+]CCCC(=O)N2Cc3ccccc3C2)cc1 ZINC000180753075 821434776 /nfs/dbraw/zinc/43/47/76/821434776.db2.gz ZVVZVTHLUTZIIW-SFHVURJKSA-N 1 0 388.515 4.154 20 0 GIADRO COc1ccc([C@H]2CCCCCN2C(=O)CN(Cc2ccncc2)C2CC2)cc1 ZINC000180756915 821436759 /nfs/dbraw/zinc/43/67/59/821436759.db2.gz UUJXOGRRULFDAN-HSZRJFAPSA-N 1 0 393.531 4.199 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(NC(=O)C(C)C)cc1)CC(C)C ZINC000043674482 821439491 /nfs/dbraw/zinc/43/94/91/821439491.db2.gz NXFYHFKGKSMBGA-IBGZPJMESA-N 1 0 376.545 4.159 20 0 GIADRO Cc1ccc([C@H]([NH2+]C[C@@]2(C)CCCS2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000180765380 821442638 /nfs/dbraw/zinc/44/26/38/821442638.db2.gz MPEQXFWZLMYGAS-LEWJYISDSA-N 1 0 389.586 4.363 20 0 GIADRO COc1ccc([C@@H](NC(=O)NC2CC[NH+](CC(C)C)CC2)c2ccccc2)cc1 ZINC000043717094 821446110 /nfs/dbraw/zinc/44/61/10/821446110.db2.gz NJSDHAWJPBGZMZ-QHCPKHFHSA-N 1 0 395.547 4.204 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1cnn(-c2ccc(F)cc2)c1C)c1ccccc1 ZINC000043729281 821448281 /nfs/dbraw/zinc/44/82/81/821448281.db2.gz VWSDFQMLFYMGMH-QFIPXVFZSA-N 1 0 394.494 4.133 20 0 GIADRO COc1ccc([C@H]([NH2+]C[C@]2(CCO)CCOC2)c2ccc(Cl)cc2)cc1C ZINC000180776675 821450443 /nfs/dbraw/zinc/45/04/43/821450443.db2.gz JEKBPADGSJWCPK-YADHBBJMSA-N 1 0 389.923 4.125 20 0 GIADRO C[C@H](c1cc2ccccc2o1)N(C)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000043800021 821460816 /nfs/dbraw/zinc/46/08/16/821460816.db2.gz NLGATXYOCXNLKU-QGZVFWFLSA-N 1 0 392.503 4.410 20 0 GIADRO C[C@H](C[C@@H](O)c1ccc(F)cc1)[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000180799272 821465484 /nfs/dbraw/zinc/46/54/84/821465484.db2.gz NNLVDBFRRNXUAN-YOODTLSXSA-N 1 0 380.504 4.063 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)c1 ZINC000043840950 821468815 /nfs/dbraw/zinc/46/88/15/821468815.db2.gz JYDMPSQCCCFZAW-HXUWFJFHSA-N 1 0 393.531 4.137 20 0 GIADRO COc1ccc([C@H](C[NH2+][C@H](c2ccccc2)c2ccccn2)N(C)C)cc1OC ZINC000180810232 821471628 /nfs/dbraw/zinc/47/16/28/821471628.db2.gz MXAQSWPFCKHRJY-XUZZJYLKSA-N 1 0 391.515 4.081 20 0 GIADRO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2cc(C)c(OCc3ccccc3C)c(C)c2)C1 ZINC000180828787 821483749 /nfs/dbraw/zinc/48/37/49/821483749.db2.gz RVOZGNMOHCFBRU-JOCHJYFZSA-N 1 0 394.559 4.491 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CCc2nc3c(s2)CCCC3)cc1Cn1cccn1 ZINC000180838969 821488722 /nfs/dbraw/zinc/48/87/22/821488722.db2.gz OGGOMCBCCRGKHR-INIZCTEOSA-N 1 0 396.560 4.169 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)c1ccccc1Br)c1ccc(-n2cccn2)cc1 ZINC000180840247 821489199 /nfs/dbraw/zinc/48/91/99/821489199.db2.gz XTVMWLNQWFQRMB-AUUYWEPGSA-N 1 0 386.293 4.019 20 0 GIADRO CC[C@H]1c2ccsc2CCN1C(=O)C[NH2+][C@H](C)c1ccc(-n2cccn2)cc1 ZINC000180846599 821492107 /nfs/dbraw/zinc/49/21/07/821492107.db2.gz UPGWBPHUFFHKLU-UZLBHIALSA-N 1 0 394.544 4.120 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CCCc2nc(-c3ccncc3)cs2)c1 ZINC000180847632 821492740 /nfs/dbraw/zinc/49/27/40/821492740.db2.gz DBTVSYHDUMMXBM-OAHLLOKOSA-N 1 0 380.517 4.447 20 0 GIADRO COc1cc(Cl)c(C)cc1NC(=O)C[NH2+][C@H](C)c1ccc(-n2cccn2)cc1 ZINC000180849498 821494078 /nfs/dbraw/zinc/49/40/78/821494078.db2.gz OAYPDVYIUFWKPY-OAHLLOKOSA-N 1 0 398.894 4.132 20 0 GIADRO COc1cc(Cl)c(C)cc1NC(=O)C[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000180849478 821494124 /nfs/dbraw/zinc/49/41/24/821494124.db2.gz OAYPDVYIUFWKPY-HNNXBMFYSA-N 1 0 398.894 4.132 20 0 GIADRO Cc1cc(C)c(NC(=O)CCC[N@@H+]2CCC[C@@H](c3nncn3C3CC3)C2)c(C)c1 ZINC000180857052 821497411 /nfs/dbraw/zinc/49/74/11/821497411.db2.gz OGOPIVHQIZAHAK-LJQANCHMSA-N 1 0 395.551 4.137 20 0 GIADRO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]Cc1ccc(OC(C)(C)C)nc1 ZINC000180884870 821512683 /nfs/dbraw/zinc/51/26/83/821512683.db2.gz BWVJPDRNUSYPOF-UHFFFAOYSA-N 1 0 382.483 4.490 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCN(c2c(F)cccc2F)C1=O)c1ccc(-c2ccncc2)cc1 ZINC000180897322 821522285 /nfs/dbraw/zinc/52/22/85/821522285.db2.gz FBIABZKVYXVFNZ-VFNWGFHPSA-N 1 0 393.437 4.483 20 0 GIADRO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CCc1nc2c(cccc2F)n1C)CC3 ZINC000180898186 821522928 /nfs/dbraw/zinc/52/29/28/821522928.db2.gz MNDFCRBQCWLEKZ-HNNXBMFYSA-N 1 0 376.479 4.192 20 0 GIADRO C[C@@H]1CCC[N@H+](CCCCNC(=S)Nc2cccc(Br)c2)C1 ZINC000044098875 821523002 /nfs/dbraw/zinc/52/30/02/821523002.db2.gz LDPZHERFALBNHR-CQSZACIVSA-N 1 0 384.387 4.248 20 0 GIADRO COc1ccc(CN(C)C(=O)C[NH2+][C@H](C)c2ccc(-c3ccncc3)cc2)cc1 ZINC000180900157 821524229 /nfs/dbraw/zinc/52/42/29/821524229.db2.gz YOFGTDQEIYBWNO-GOSISDBHSA-N 1 0 389.499 4.066 20 0 GIADRO CC[NH+](CC)CCOc1ccc(NC(=S)Nc2ccc(F)cc2F)cc1 ZINC000044104707 821524259 /nfs/dbraw/zinc/52/42/59/821524259.db2.gz BFOSUKGWVXTSFO-UHFFFAOYSA-N 1 0 379.476 4.494 20 0 GIADRO COc1ccc(OC)c(CCC[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)c1 ZINC000180901480 821525342 /nfs/dbraw/zinc/52/53/42/821525342.db2.gz KMPSNDMDEDRZHV-UHFFFAOYSA-N 1 0 392.540 4.062 20 0 GIADRO C[NH+](C)CCN(CCc1ccccc1)C(=S)Nc1ccc(F)c(Cl)c1 ZINC000044158183 821538189 /nfs/dbraw/zinc/53/81/89/821538189.db2.gz NRUKDRDIJDMPHH-UHFFFAOYSA-N 1 0 379.932 4.282 20 0 GIADRO CC[NH+](CC)CCOc1ccc(CNC(=S)Nc2ccccc2F)cc1 ZINC000044158439 821538443 /nfs/dbraw/zinc/53/84/43/821538443.db2.gz XFVRNCUAEZVHGE-UHFFFAOYSA-N 1 0 375.513 4.033 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1)C(=O)Nc1cccnc1Cl ZINC000180925871 821542329 /nfs/dbraw/zinc/54/23/29/821542329.db2.gz KVLYCZSZRZRIOP-GJZGRUSLSA-N 1 0 380.879 4.475 20 0 GIADRO CCCCOc1ccc(OC)cc1NC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000044205239 821545952 /nfs/dbraw/zinc/54/59/52/821545952.db2.gz KPHLKCRZDKUHOJ-UHFFFAOYSA-N 1 0 377.529 4.116 20 0 GIADRO COCCC(=O)N1CCC([NH2+][C@@H](c2ccccc2)c2cc(C)ccc2C)CC1 ZINC000180960821 821557965 /nfs/dbraw/zinc/55/79/65/821557965.db2.gz VEYXFVDWCHSSNI-DEOSSOPVSA-N 1 0 380.532 4.010 20 0 GIADRO COc1ccc(C(=O)N2CCC([NH2+][C@H]3CCC(C)(C)C[C@@H]3C)CC2)cc1OC ZINC000180969987 821563314 /nfs/dbraw/zinc/56/33/14/821563314.db2.gz JEPDFXPYJTVJID-LPHOPBHVSA-N 1 0 388.552 4.113 20 0 GIADRO CC[C@@H]([NH2+]C1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1)c1ccc(C)cc1 ZINC000180971479 821564533 /nfs/dbraw/zinc/56/45/33/821564533.db2.gz NNJNBABMZNAXKL-OAQYLSRUSA-N 1 0 396.531 4.358 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]Cc2ccccc2OC2CCC2)c1 ZINC000180973465 821566135 /nfs/dbraw/zinc/56/61/35/821566135.db2.gz VPDBHVWSGNXNTI-MRXNPFEDSA-N 1 0 398.503 4.142 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)Nc1cccc(OCC(F)(F)F)c1 ZINC000044310420 821567208 /nfs/dbraw/zinc/56/72/08/821567208.db2.gz CJNNULWPXPFOKC-INIZCTEOSA-N 1 0 397.397 4.179 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CCc1ccc(Cl)s1 ZINC000044313401 821568444 /nfs/dbraw/zinc/56/84/44/821568444.db2.gz WJHLVQOFZWFLAI-UHFFFAOYSA-N 1 0 377.941 4.033 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000044330677 821570750 /nfs/dbraw/zinc/57/07/50/821570750.db2.gz IVBTYDVZJSWMQK-CVEARBPZSA-N 1 0 383.458 4.136 20 0 GIADRO CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@H](C)CC(=O)Nc1cccnc1Cl ZINC000180980469 821571225 /nfs/dbraw/zinc/57/12/25/821571225.db2.gz IFHMRVSLXDFDKZ-VBHSOAQHSA-N 1 0 396.318 4.471 20 0 GIADRO CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000180981258 821571836 /nfs/dbraw/zinc/57/18/36/821571836.db2.gz DIARDXZIAUFTIB-NQCMUKECSA-N 1 0 399.915 4.309 20 0 GIADRO COc1ccc(NC(=O)NC2CC[NH+](CC(C)C)CC2)cc1OC1CCCC1 ZINC000044334653 821572829 /nfs/dbraw/zinc/57/28/29/821572829.db2.gz ZSFYOHFTWGULFH-UHFFFAOYSA-N 1 0 389.540 4.259 20 0 GIADRO Cc1cc([C@H]([NH2+]CC2(CO)CCOCC2)c2ccccc2Cl)ccc1F ZINC000180984429 821574075 /nfs/dbraw/zinc/57/40/75/821574075.db2.gz QVCJDJYJODHSEG-FQEVSTJZSA-N 1 0 377.887 4.256 20 0 GIADRO COc1cccc(SCC(=O)NCc2ccccc2C[NH+]2CCCCC2)c1 ZINC000044366931 821578357 /nfs/dbraw/zinc/57/83/57/821578357.db2.gz BMTKYTYUHNDBGP-UHFFFAOYSA-N 1 0 384.545 4.090 20 0 GIADRO CN(C)c1ccc(NC(=O)NCC(C)(C)[NH+]2CCCCC2)c(C(F)(F)F)c1 ZINC000044368991 821579566 /nfs/dbraw/zinc/57/95/66/821579566.db2.gz ZHIVDEQHARQSDP-UHFFFAOYSA-N 1 0 386.462 4.157 20 0 GIADRO C[C@@H]([NH2+]CCc1nc(-c2ccccn2)cs1)c1ccc(N2CCCC2=O)cc1 ZINC000181006954 821589276 /nfs/dbraw/zinc/58/92/76/821589276.db2.gz SSLSTVXLOYRURU-MRXNPFEDSA-N 1 0 392.528 4.225 20 0 GIADRO c1sc(CC[NH2+][C@H]2CCCN(Cc3ccccc3)C2)nc1-c1ccccn1 ZINC000181008481 821590466 /nfs/dbraw/zinc/59/04/66/821590466.db2.gz LATVXMZVJLUETO-IBGZPJMESA-N 1 0 378.545 4.002 20 0 GIADRO Cn1ccnc1COc1ccc(C[N@H+](C)Cc2cc(F)c(F)c(F)c2)cc1 ZINC000181011605 821592239 /nfs/dbraw/zinc/59/22/39/821592239.db2.gz QWNSBRRSOUBNJD-UHFFFAOYSA-N 1 0 375.394 4.048 20 0 GIADRO CCC(CC)n1nc(C)cc1C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000181020007 821596662 /nfs/dbraw/zinc/59/66/62/821596662.db2.gz YWLMRGORINCDAR-JXFKEZNVSA-N 1 0 388.581 4.427 20 0 GIADRO Clc1cc(Br)cc(Cl)c1OCC[NH2+]CC1=CCCOC1 ZINC000181023250 821598146 /nfs/dbraw/zinc/59/81/46/821598146.db2.gz RGEIDWNVUWSZPM-UHFFFAOYSA-N 1 0 381.097 4.071 20 0 GIADRO COc1ccc(C[C@H](C)C[NH2+][C@@H](c2cnn(C)c2)c2cccc(F)c2)cc1OC ZINC000181033912 821604082 /nfs/dbraw/zinc/60/40/82/821604082.db2.gz BAOFCHGMCRUQBS-QMHKHESXSA-N 1 0 397.494 4.134 20 0 GIADRO C[C@@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)[N@H+](C)CCCn1ccnc1 ZINC000181060645 821614164 /nfs/dbraw/zinc/61/41/64/821614164.db2.gz MXIHSRGHDLXDQA-LBPRGKRZSA-N 1 0 380.279 4.323 20 0 GIADRO CC(C)(C)[C@H]([NH2+]CC(=O)Nc1cccc(C(=O)NC2CC2)c1)c1cccc(F)c1 ZINC000181074498 821619897 /nfs/dbraw/zinc/61/98/97/821619897.db2.gz ZOSGGWMXJHOTEY-OAQYLSRUSA-N 1 0 397.494 4.033 20 0 GIADRO Clc1ccc(-c2ccc(C[NH2+]C[C@@H]3COC4(CCOCC4)O3)o2)cc1Cl ZINC000181081716 821623216 /nfs/dbraw/zinc/62/32/16/821623216.db2.gz JIAJKNYQVNZJHT-OAHLLOKOSA-N 1 0 398.286 4.265 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC000181089259 821626996 /nfs/dbraw/zinc/62/69/96/821626996.db2.gz OOZCQPMAYUBHNI-UHFFFAOYSA-N 1 0 399.445 4.418 20 0 GIADRO C[N@H+](CCCNC(=O)Nc1ccc2[nH]c(C(F)F)nc2c1)Cc1ccccc1 ZINC000181089933 821627079 /nfs/dbraw/zinc/62/70/79/821627079.db2.gz QBNAAIFFAWDVOI-UHFFFAOYSA-N 1 0 387.434 4.144 20 0 GIADRO COCC[NH+]1CCC(N[C@H](c2ccc(OC)cc2)c2ccccc2Cl)CC1 ZINC000181092161 821628420 /nfs/dbraw/zinc/62/84/20/821628420.db2.gz QWTBVSJEKAIPNL-JOCHJYFZSA-N 1 0 388.939 4.138 20 0 GIADRO COc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H](O)c1c(Cl)cccc1Cl ZINC000181107304 821636540 /nfs/dbraw/zinc/63/65/40/821636540.db2.gz ANJLOHYUONPIOE-LRDDRELGSA-N 1 0 397.302 4.042 20 0 GIADRO Cc1cc(Br)ccc1CC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000181112398 821639721 /nfs/dbraw/zinc/63/97/21/821639721.db2.gz QTXMBBOOWQETBF-UHFFFAOYSA-N 1 0 393.369 4.071 20 0 GIADRO COc1ccc(C[C@@H](C)C(=O)Nc2cc(C[NH+]3CCCC3)ccc2C)cc1OC ZINC000181117330 821642622 /nfs/dbraw/zinc/64/26/22/821642622.db2.gz YKNDZIDVQRHSDC-GOSISDBHSA-N 1 0 396.531 4.425 20 0 GIADRO O=C(Nc1ccc2[nH]c(C(F)F)nc2c1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000181123451 821647647 /nfs/dbraw/zinc/64/76/47/821647647.db2.gz BEWHCOJUWOGWSN-UHFFFAOYSA-N 1 0 399.445 4.240 20 0 GIADRO CS(=O)(=O)C1CCC([NH2+][C@@H](Cc2cccc(F)c2)c2cccc(F)c2)CC1 ZINC000181127073 821649055 /nfs/dbraw/zinc/64/90/55/821649055.db2.gz SOTQEDXRUWRIFV-CBNMVNINSA-N 1 0 393.499 4.194 20 0 GIADRO COc1cc2c(c(C[NH+]3CCC(n4ccc(C(F)(F)F)n4)CC3)c1)O[C@H](C)C2 ZINC000181125597 821649206 /nfs/dbraw/zinc/64/92/06/821649206.db2.gz IFYHZHIXCYMWMQ-CYBMUJFWSA-N 1 0 395.425 4.071 20 0 GIADRO CC(=O)Nc1cccc(C(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000044756058 821654211 /nfs/dbraw/zinc/65/42/11/821654211.db2.gz FLKUXZMCNWUFEN-QZTJIDSGSA-N 1 0 393.531 4.053 20 0 GIADRO O=C(Nc1ccc(F)cc1)C1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000044786480 821661195 /nfs/dbraw/zinc/66/11/95/821661195.db2.gz LTYGCKRMHUVSMC-UHFFFAOYSA-N 1 0 391.284 4.439 20 0 GIADRO C[C@H]([NH2+]CCCN1C(=O)COc2ccccc21)c1cccc(-c2ccncc2)c1 ZINC000181152659 821666346 /nfs/dbraw/zinc/66/63/46/821666346.db2.gz NOJARDZCDMSVEF-SFHVURJKSA-N 1 0 387.483 4.215 20 0 GIADRO CSC1(C[NH2+][C@@H]2CCCOc3ccc(Br)cc32)CCOCC1 ZINC000181158331 821670331 /nfs/dbraw/zinc/67/03/31/821670331.db2.gz SQONSDKHLPIQIY-OAHLLOKOSA-N 1 0 386.355 4.165 20 0 GIADRO CSC1(C[NH2+][C@@H]2CCSc3ccc(Br)cc32)CCOCC1 ZINC000181161657 821672407 /nfs/dbraw/zinc/67/24/07/821672407.db2.gz LNIYWAACRULPHG-CQSZACIVSA-N 1 0 388.396 4.488 20 0 GIADRO Cc1ccc2[nH]c([C@@H]3CCC[N@H+](C[C@@H]4CN(c5ccccc5)C(=O)O4)C3)nc2c1 ZINC000181162893 821673079 /nfs/dbraw/zinc/67/30/79/821673079.db2.gz WGMQPYNXTYYKOM-IEBWSBKVSA-N 1 0 390.487 4.076 20 0 GIADRO COc1ccc([C@@H](CNC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)[NH+]2CCCC2)cc1 ZINC000044866511 821673474 /nfs/dbraw/zinc/67/34/74/821673474.db2.gz OVGPBVLRBJYOOQ-CEXWTWQISA-N 1 0 398.469 4.317 20 0 GIADRO COc1ccc([C@H](CNC(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)[NH+]2CCCC2)cc1 ZINC000044866523 821674309 /nfs/dbraw/zinc/67/43/09/821674309.db2.gz OVGPBVLRBJYOOQ-FHWLQOOXSA-N 1 0 398.469 4.317 20 0 GIADRO COc1ccc(O[C@H](C)C(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000044878939 821676310 /nfs/dbraw/zinc/67/63/10/821676310.db2.gz LQUFYUZMPDAYNZ-RTBURBONSA-N 1 0 396.531 4.011 20 0 GIADRO COc1cc(CNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)ccc1OC(C)C ZINC000044905227 821678958 /nfs/dbraw/zinc/67/89/58/821678958.db2.gz XWKQRTJHNJIYEG-OAQYLSRUSA-N 1 0 396.531 4.011 20 0 GIADRO COC(=O)c1cc2cc(C[NH2+][C@@H](C[C@@H]3CCOC3)c3ccccc3)ccc2o1 ZINC000181181659 821681669 /nfs/dbraw/zinc/68/16/69/821681669.db2.gz QAYCJHCYHQJVKR-PXNSSMCTSA-N 1 0 379.456 4.477 20 0 GIADRO Cc1cc(=O)oc2cc(OCC[NH2+][C@@H](C[C@@H]3CCOC3)c3ccccc3)ccc12 ZINC000181190104 821686368 /nfs/dbraw/zinc/68/63/68/821686368.db2.gz TXTNMVUABYFLTR-AVRDEDQJSA-N 1 0 393.483 4.238 20 0 GIADRO COc1ccc([C@H](C)[NH2+]C[C@@H](OC)c2ccc(F)cc2)cc1Cn1cccn1 ZINC000181201268 821693391 /nfs/dbraw/zinc/69/33/91/821693391.db2.gz DGARENBFYGAQGK-KSFYIVLOSA-N 1 0 383.467 4.117 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000181205724 821696204 /nfs/dbraw/zinc/69/62/04/821696204.db2.gz LKZGAWCYWWIAOW-MAUKXSAKSA-N 1 0 388.895 4.045 20 0 GIADRO Cc1ccc(CN(C(=O)C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)C2CC2)cc1 ZINC000181207921 821697647 /nfs/dbraw/zinc/69/76/47/821697647.db2.gz GNSHIVAWZRLMDP-ZJSXRUAMSA-N 1 0 392.543 4.244 20 0 GIADRO C[C@H]1C[C@@H](NC(=O)CCc2ccc3[nH]ccc3c2)CC[N@@H+]1Cc1ccccc1 ZINC000181215595 821702227 /nfs/dbraw/zinc/70/22/27/821702227.db2.gz IOHYJGNOFQGFSS-AVRDEDQJSA-N 1 0 375.516 4.270 20 0 GIADRO O=C(C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)Nc1nc(-c2ccco2)cs1 ZINC000181216946 821702750 /nfs/dbraw/zinc/70/27/50/821702750.db2.gz URFMZTOMGMLJMK-DOTOQJQBSA-N 1 0 397.500 4.099 20 0 GIADRO O=C(C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1)Nc1ccc(C(F)(F)F)cc1 ZINC000181222871 821704943 /nfs/dbraw/zinc/70/49/43/821704943.db2.gz RXAIJZARTBJSLH-DNVCBOLYSA-N 1 0 392.421 4.401 20 0 GIADRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC000181228186 821707310 /nfs/dbraw/zinc/70/73/10/821707310.db2.gz ZVVSBQJANCURBR-GFCCVEGCSA-N 1 0 398.981 4.247 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1cc(Cl)cc(Cl)n1 ZINC000181230964 821708791 /nfs/dbraw/zinc/70/87/91/821708791.db2.gz WOARTBFSFQRQJI-AWEZNQCLSA-N 1 0 378.303 4.125 20 0 GIADRO O=C(C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1)Nc1ccc(F)cc1Cl ZINC000181236747 821712208 /nfs/dbraw/zinc/71/22/08/821712208.db2.gz ZEDPDUJEIHYGAS-AUUYWEPGSA-N 1 0 376.859 4.175 20 0 GIADRO Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@H](c1ccccc1)[C@H]1CCCc2ccccc21 ZINC000181240075 821714394 /nfs/dbraw/zinc/71/43/94/821714394.db2.gz XEVCNRMZFHKWQO-XUZZJYLKSA-N 1 0 388.515 4.416 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1nc2ccccc2s1 ZINC000181242171 821715718 /nfs/dbraw/zinc/71/57/18/821715718.db2.gz QOCZVKNNUYIRMA-UHFFFAOYSA-N 1 0 380.517 4.070 20 0 GIADRO CCOc1ccccc1[C@@H](CC(C)C)[NH2+]CC(=O)Nc1cccc(NC(C)=O)c1 ZINC000181263637 821723740 /nfs/dbraw/zinc/72/37/40/821723740.db2.gz UFSLGLIARFPRRY-OAQYLSRUSA-N 1 0 397.519 4.359 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N1CCc2sccc2C1)c1ccc(-c2cccnc2)cc1 ZINC000181271806 821726765 /nfs/dbraw/zinc/72/67/65/821726765.db2.gz FDPSVCWBYIOFEK-MRXNPFEDSA-N 1 0 377.513 4.046 20 0 GIADRO C[C@@H]([NH2+]CCCN1C(=O)c2ccccc2C1=O)c1ccc(-c2cccnc2)cc1 ZINC000181273063 821727689 /nfs/dbraw/zinc/72/76/89/821727689.db2.gz VTZXBUAYZCDFCO-QGZVFWFLSA-N 1 0 385.467 4.086 20 0 GIADRO Cc1nc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(-c3cccnc3)cc2)sc1C ZINC000181277118 821730042 /nfs/dbraw/zinc/73/00/42/821730042.db2.gz IDJAIMNUEJBCPZ-CABCVRRESA-N 1 0 380.517 4.500 20 0 GIADRO CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@@H](C)c2cccnc2Cl)cc1 ZINC000181279155 821731708 /nfs/dbraw/zinc/73/17/08/821731708.db2.gz BLKSIPUMHBDUKE-HOTGVXAUSA-N 1 0 389.927 4.442 20 0 GIADRO C[C@@H]([NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1)c1ccc(-c2cccnc2)cc1 ZINC000181284650 821735206 /nfs/dbraw/zinc/73/52/06/821735206.db2.gz JYKKEOFRHWSHSA-OAHLLOKOSA-N 1 0 390.874 4.261 20 0 GIADRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(-c3cccnc3)cc2)cc1 ZINC000181292190 821738747 /nfs/dbraw/zinc/73/87/47/821738747.db2.gz JOIWSYSFEXKRTD-SJORKVTESA-N 1 0 375.472 4.435 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)NCCc1cccs1)c1ccc(-c2cccnc2)cc1 ZINC000181294436 821740069 /nfs/dbraw/zinc/74/00/69/821740069.db2.gz ATQDHSDMEQLXIN-SJORKVTESA-N 1 0 379.529 4.208 20 0 GIADRO CCOc1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccc(-c3cccnc3)cc2)cc1 ZINC000181299995 821743331 /nfs/dbraw/zinc/74/33/31/821743331.db2.gz IKTKVFGYQBIUFW-GCJKJVERSA-N 1 0 392.499 4.238 20 0 GIADRO Cc1nc(C[N@@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)nc2ccccc12 ZINC000181300298 821743372 /nfs/dbraw/zinc/74/33/72/821743372.db2.gz ODSNWRKDJMBBSQ-GOSISDBHSA-N 1 0 384.487 4.103 20 0 GIADRO COCCOc1ccc([C@@H](C)[NH2+][C@@H]2CCCOc3c(F)cccc32)cc1OC ZINC000181321703 821758228 /nfs/dbraw/zinc/75/82/28/821758228.db2.gz ORBLGDHXPZXHAV-DNVCBOLYSA-N 1 0 389.467 4.424 20 0 GIADRO COc1ccc([C@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)C(F)(F)F)cc1 ZINC000181328223 821761867 /nfs/dbraw/zinc/76/18/67/821761867.db2.gz GUTJKTCLEYEISM-IBGZPJMESA-N 1 0 392.421 4.324 20 0 GIADRO COc1ccc([C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C(F)(F)F)cc1 ZINC000181330272 821763252 /nfs/dbraw/zinc/76/32/52/821763252.db2.gz UZXZFIFYDRNAEH-YJBOKZPZSA-N 1 0 384.442 4.069 20 0 GIADRO COc1cccc2[nH]cc(CC[NH2+][C@@H](C)c3ncc(Br)s3)c21 ZINC000181336597 821767677 /nfs/dbraw/zinc/76/76/77/821767677.db2.gz JNJXIEMWTBVTCU-JTQLQIEISA-N 1 0 380.311 4.289 20 0 GIADRO CCn1c(C[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)nc2c1cccc2F ZINC000181337032 821768482 /nfs/dbraw/zinc/76/84/82/821768482.db2.gz VCVMHFDZERFVNO-CQSZACIVSA-N 1 0 382.439 4.003 20 0 GIADRO CCc1nc(C)c([C@H](C)N(C)C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)s1 ZINC000181339157 821770324 /nfs/dbraw/zinc/77/03/24/821770324.db2.gz JVEOOLZBMJXCIL-WBVHZDCISA-N 1 0 388.581 4.237 20 0 GIADRO Cc1cc(C(=O)N(CC(C)C)C2CC[NH+](C)CC2)nn1-c1ccccc1Cl ZINC000181344499 821774522 /nfs/dbraw/zinc/77/45/22/821774522.db2.gz ZJBOHHHKIGQHBZ-UHFFFAOYSA-N 1 0 388.943 4.027 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(OC(C)(C)C)nc1)c1ccc(OCc2nccn2C)cc1 ZINC000181348287 821778235 /nfs/dbraw/zinc/77/82/35/821778235.db2.gz NLMKNZKSDPBEBX-QGZVFWFLSA-N 1 0 394.519 4.422 20 0 GIADRO COc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@@H]2CCc4n[nH]cc4C2)CCC3)cc1 ZINC000181351918 821780249 /nfs/dbraw/zinc/78/02/49/821780249.db2.gz TYGIAPGOHUNVFQ-CRAIPNDOSA-N 1 0 380.517 4.066 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@H]2CCc3n[nH]cc3C2)cnn1-c1ccc(Cl)cc1Cl ZINC000181356366 821783949 /nfs/dbraw/zinc/78/39/49/821783949.db2.gz SPLMVCZDDLWKKD-NHYWBVRUSA-N 1 0 390.318 4.419 20 0 GIADRO CCOc1ccc([C@H](C)NC(=O)C[NH2+][C@H](C)c2ccc(C)c(F)c2)cc1OC ZINC000181358294 821785364 /nfs/dbraw/zinc/78/53/64/821785364.db2.gz VWSALZSGFDNHKC-CVEARBPZSA-N 1 0 388.483 4.069 20 0 GIADRO Cc1ccc(C)c(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)c1 ZINC000181361127 821787310 /nfs/dbraw/zinc/78/73/10/821787310.db2.gz ZETQJLPELMWVHD-QZTJIDSGSA-N 1 0 379.504 4.108 20 0 GIADRO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]Cc1nc(C2CC2)cs1 ZINC000181365590 821789693 /nfs/dbraw/zinc/78/96/93/821789693.db2.gz OXYRGSKVMINDNM-CYBMUJFWSA-N 1 0 377.941 4.201 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+]C[C@@H](c2ccccc2Cl)N(C)C)s1 ZINC000181369105 821791660 /nfs/dbraw/zinc/79/16/60/821791660.db2.gz RRFDMEYRJQKQKV-GUYCJALGSA-N 1 0 381.973 4.247 20 0 GIADRO O=C(Nc1ccc(Br)c2ccccc12)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000181371599 821793105 /nfs/dbraw/zinc/79/31/05/821793105.db2.gz OOGOOOUJRWZWOE-AWEZNQCLSA-N 1 0 388.309 4.304 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+]C2CCN(Cc3ccc(F)cc3)CC2)s1 ZINC000181384695 821798903 /nfs/dbraw/zinc/79/89/03/821798903.db2.gz UCFWSNRORXMVPK-HNNXBMFYSA-N 1 0 391.556 4.095 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+]Cc2ccc(NC(=O)NC(C)C)cc2)s1 ZINC000181385802 821799128 /nfs/dbraw/zinc/79/91/28/821799128.db2.gz CUEPKIOLZCUWDH-AWEZNQCLSA-N 1 0 390.553 4.021 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+]Cc2cc(F)cc(Br)c2)s1 ZINC000181386372 821799205 /nfs/dbraw/zinc/79/92/05/821799205.db2.gz YAYDBFZBUGUHGA-SNVBAGLBSA-N 1 0 387.318 4.393 20 0 GIADRO CCc1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000181387640 821799822 /nfs/dbraw/zinc/79/98/22/821799822.db2.gz ZEKGAGDRYGSBQC-IAGOWNOFSA-N 1 0 379.504 4.054 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+]Cc2ccc(-n3ccnc3C)c(F)c2)s1 ZINC000181391002 821801449 /nfs/dbraw/zinc/80/14/49/821801449.db2.gz HDSOJBRAXNKPOG-ZDUSSCGKSA-N 1 0 388.512 4.124 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+]Cc2cccc(NC(=O)CC(C)C)c2)s1 ZINC000181391681 821801907 /nfs/dbraw/zinc/80/19/07/821801907.db2.gz NMVNEPIDVHDLNB-HNNXBMFYSA-N 1 0 389.565 4.476 20 0 GIADRO COc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H](CO)c1cccc(Br)c1 ZINC000181393079 821803264 /nfs/dbraw/zinc/80/32/64/821803264.db2.gz GGHDPGYSGSQXIY-MOPGFXCFSA-N 1 0 376.294 4.158 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)s1 ZINC000181393311 821803283 /nfs/dbraw/zinc/80/32/83/821803283.db2.gz AZWXRTNDACGCMI-LSDHHAIUSA-N 1 0 387.549 4.179 20 0 GIADRO C[C@@H]([NH2+][C@@H](CO)c1cccc(Br)c1)c1ccc(F)cc1N(C)C ZINC000181395622 821804998 /nfs/dbraw/zinc/80/49/98/821804998.db2.gz JYCNRVSOAPTVEN-PXAZEXFGSA-N 1 0 381.289 4.038 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CN(c3ccccc3)C(=O)O2)cc1OCC ZINC000181397061 821805652 /nfs/dbraw/zinc/80/56/52/821805652.db2.gz MKYRGUBZSASHBN-APWZRJJASA-N 1 0 384.476 4.160 20 0 GIADRO C[C@@H]([NH2+][C@H](CO)c1cccc(Br)c1)c1cccc(OC(F)F)c1 ZINC000181395917 821805770 /nfs/dbraw/zinc/80/57/70/821805770.db2.gz APBUUGOKTFVJEN-BDJLRTHQSA-N 1 0 386.236 4.435 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+]CCCC(=O)Nc2ccc(Cl)cc2)s1 ZINC000181397878 821806339 /nfs/dbraw/zinc/80/63/39/821806339.db2.gz JKTMZVGGDMZMBY-CYBMUJFWSA-N 1 0 395.956 4.363 20 0 GIADRO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)c(C)c1 ZINC000181409877 821810662 /nfs/dbraw/zinc/81/06/62/821810662.db2.gz UOCZXGLUAICKAO-ZWKOTPCHSA-N 1 0 379.504 4.108 20 0 GIADRO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181417309 821814734 /nfs/dbraw/zinc/81/47/34/821814734.db2.gz CPJXASXLMJFSCW-GBESFXJTSA-N 1 0 393.531 4.038 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+]Cc2cc(N(C)C)nc3ccccc23)s1 ZINC000181429290 821822157 /nfs/dbraw/zinc/82/21/57/821822157.db2.gz SNHUZBJOPKSORN-AWEZNQCLSA-N 1 0 384.549 4.105 20 0 GIADRO Cc1cccc(-c2nc(CC(=O)N[C@@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)cs2)c1 ZINC000181430255 821822904 /nfs/dbraw/zinc/82/29/04/821822904.db2.gz DLCGSJQDFUWBSV-PKOBYXMFSA-N 1 0 397.588 4.430 20 0 GIADRO COC(=O)c1cc2cc(C[NH2+][C@H](C)c3cccc(N4CCCC4=O)c3)ccc2o1 ZINC000181432926 821824685 /nfs/dbraw/zinc/82/46/85/821824685.db2.gz MYJKUEMLESQXFB-OAHLLOKOSA-N 1 0 392.455 4.197 20 0 GIADRO Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181438423 821826813 /nfs/dbraw/zinc/82/68/13/821826813.db2.gz WKJMVYWPHGGLSL-HOTGVXAUSA-N 1 0 399.922 4.453 20 0 GIADRO COc1ccc([C@H](C)NCc2cccc(C[NH+](C)C)c2)c(Br)c1 ZINC000181438739 821827429 /nfs/dbraw/zinc/82/74/29/821827429.db2.gz BFQQECBWSYPOSR-AWEZNQCLSA-N 1 0 377.326 4.370 20 0 GIADRO C[C@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[N@H+](C)CCc1ccncc1 ZINC000181446395 821829923 /nfs/dbraw/zinc/82/99/23/821829923.db2.gz LKKVERVGNLAVSP-QGZVFWFLSA-N 1 0 395.503 4.015 20 0 GIADRO C[C@H](NC(=O)c1cc(Br)ccc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181450292 821831260 /nfs/dbraw/zinc/83/12/60/821831260.db2.gz DJVZKXFZCGFRGH-STQMWFEESA-N 1 0 399.760 4.485 20 0 GIADRO Cc1oc(-c2cccs2)nc1CC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181451877 821831816 /nfs/dbraw/zinc/83/18/16/821831816.db2.gz ONRISTFWWKZFNI-GOEBONIOSA-N 1 0 387.549 4.023 20 0 GIADRO C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[N@H+](C)CCc1ccncc1 ZINC000181451939 821832044 /nfs/dbraw/zinc/83/20/44/821832044.db2.gz RBTQTTYBIIHDAG-UONOGXRCSA-N 1 0 380.319 4.129 20 0 GIADRO C[C@@H](NC(=O)CCCOc1ccccc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181453744 821832637 /nfs/dbraw/zinc/83/26/37/821832637.db2.gz YSPMLYSHNNVNKM-IAGOWNOFSA-N 1 0 378.944 4.268 20 0 GIADRO Cc1ccc([C@@H](OC[C@H](O)C[N@H+](C)CCc2ccncc2)c2ccccc2)cc1 ZINC000181459937 821835941 /nfs/dbraw/zinc/83/59/41/821835941.db2.gz VMJAAIZYZPROKO-RPBOFIJWSA-N 1 0 390.527 4.031 20 0 GIADRO CCc1c2cc(C)ccc2oc1[C@H](C)[NH2+]Cc1cccnc1N1CCOCC1 ZINC000181471013 821841019 /nfs/dbraw/zinc/84/10/19/821841019.db2.gz ZLAMUSKNQXFYAQ-KRWDZBQOSA-N 1 0 379.504 4.386 20 0 GIADRO C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@H+](C)CCc1ccncc1 ZINC000181475523 821842877 /nfs/dbraw/zinc/84/28/77/821842877.db2.gz GPSSHABNTLYUGD-IBGZPJMESA-N 1 0 389.499 4.162 20 0 GIADRO CCO[C@H]1C[C@@H]([NH2+]C2CCN(c3ccc(C(F)(F)F)cn3)CC2)C12CCC2 ZINC000181503025 821856538 /nfs/dbraw/zinc/85/65/38/821856538.db2.gz QFPPSAFTHYEYAQ-SJORKVTESA-N 1 0 383.458 4.007 20 0 GIADRO CCO[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc(C(F)(F)F)cn3)CC2)C12CCC2 ZINC000181503005 821856660 /nfs/dbraw/zinc/85/66/60/821856660.db2.gz QFPPSAFTHYEYAQ-IAGOWNOFSA-N 1 0 383.458 4.007 20 0 GIADRO Cc1ccc(Br)c(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000181505656 821857887 /nfs/dbraw/zinc/85/78/87/821857887.db2.gz FEKGOLIADTVMIQ-HUUCEWRRSA-N 1 0 379.342 4.140 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1cccc(O)c1 ZINC000181506890 821858542 /nfs/dbraw/zinc/85/85/42/821858542.db2.gz ARWMDTJNJUMNMR-IFXJQAMLSA-N 1 0 392.421 4.253 20 0 GIADRO Cc1cccc(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1Br ZINC000181506188 821858568 /nfs/dbraw/zinc/85/85/68/821858568.db2.gz JGUKRSKNSCNVDG-GJZGRUSLSA-N 1 0 379.342 4.140 20 0 GIADRO C[C@@H](NC(=O)COc1cc(Cl)ccc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181509264 821860055 /nfs/dbraw/zinc/86/00/55/821860055.db2.gz WQXIDFRKEHBKPG-KGLIPLIRSA-N 1 0 385.335 4.141 20 0 GIADRO CCc1c2ccccc2oc1[C@H](C)[NH2+]Cc1ccc(N2CCO[C@H](C)C2)nc1 ZINC000181510527 821860692 /nfs/dbraw/zinc/86/06/92/821860692.db2.gz PLZIRFHZARUOQM-SJORKVTESA-N 1 0 379.504 4.466 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)COC(c1ccccc1)c1ccccc1)c1cccc(O)c1 ZINC000181512693 821861374 /nfs/dbraw/zinc/86/13/74/821861374.db2.gz PQOAWYSPQOUMGP-WZONZLPQSA-N 1 0 377.484 4.210 20 0 GIADRO CO[C@H](C)c1nc(C[NH2+][C@H](CNC(=O)OC(C)(C)C)C2CCCCC2)cs1 ZINC000181514565 821862651 /nfs/dbraw/zinc/86/26/51/821862651.db2.gz GRJGSDIDYFPGMY-RHSMWYFYSA-N 1 0 397.585 4.414 20 0 GIADRO CC(C)(C)OC(=O)NC[C@H]([NH2+]Cc1cc2ccccc2[nH]c1=O)C1CCCCC1 ZINC000181516401 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OJXMSFAHKHOOCR-NJYVYQBISA-N 1 0 382.479 4.371 20 0 GIADRO Cc1cc(Br)ccc1CC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181540059 821873485 /nfs/dbraw/zinc/87/34/85/821873485.db2.gz PSGDHNQRXMDFHU-DOTOQJQBSA-N 1 0 393.369 4.069 20 0 GIADRO COc1cccc2cc([C@@H](C)[NH2+]CCCS(=O)(=O)Cc3ccccc3)oc21 ZINC000181543880 821874746 /nfs/dbraw/zinc/87/47/46/821874746.db2.gz YDCSYSIUYYDFSR-MRXNPFEDSA-N 1 0 387.501 4.097 20 0 GIADRO Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000181547728 821876396 /nfs/dbraw/zinc/87/63/96/821876396.db2.gz VCTGKBCHKWFTKR-OAHLLOKOSA-N 1 0 391.487 4.097 20 0 GIADRO COc1ccccc1COC1CC[NH+](Cc2cn(C)nc2-c2cccs2)CC1 ZINC000181550325 821877505 /nfs/dbraw/zinc/87/75/05/821877505.db2.gz VMBBIHDTRZVFBM-UHFFFAOYSA-N 1 0 397.544 4.338 20 0 GIADRO COc1cc([C@@H](C)[NH2+]CCc2nnc(-c3ccccc3)o2)ccc1OC(F)F ZINC000181561441 821881581 /nfs/dbraw/zinc/88/15/81/821881581.db2.gz KSHRZNIHTDTJCP-CYBMUJFWSA-N 1 0 389.402 4.240 20 0 GIADRO 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AHYPKYJNZOELCR-VQIMIIECSA-N 1 0 380.532 4.233 20 0 GIADRO C[C@H](NC(=O)c1cc(Cl)ccc1OC(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181635278 821915169 /nfs/dbraw/zinc/91/51/69/821915169.db2.gz QAHIQHLRKFCIKM-STQMWFEESA-N 1 0 386.870 4.324 20 0 GIADRO C[C@@H](NC(=O)c1cc(Cl)ccc1OC(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181635258 821915253 /nfs/dbraw/zinc/91/52/53/821915253.db2.gz QAHIQHLRKFCIKM-CHWSQXEVSA-N 1 0 386.870 4.324 20 0 GIADRO C[C@H]([NH2+]CC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)c1cccnc1 ZINC000181638186 821917002 /nfs/dbraw/zinc/91/70/02/821917002.db2.gz ZUQHNCZRECOWCL-AVRDEDQJSA-N 1 0 398.510 4.162 20 0 GIADRO CC(C)OC1CCC([NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000181649388 821922119 /nfs/dbraw/zinc/92/21/19/821922119.db2.gz RITIMPDLACQWOD-MXWWQKGMSA-N 1 0 397.357 4.492 20 0 GIADRO Brc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@H]2CCOC2)CCC3)cc1 ZINC000181656370 821926163 /nfs/dbraw/zinc/92/61/63/821926163.db2.gz GMFRQUWPEIHHNM-UONOGXRCSA-N 1 0 379.323 4.329 20 0 GIADRO CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)c1ccccc1OC(F)F ZINC000181658895 821927551 /nfs/dbraw/zinc/92/75/51/821927551.db2.gz LTUZJVRRVFKRBG-GJZGRUSLSA-N 1 0 383.460 4.191 20 0 GIADRO CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000181659646 821928377 /nfs/dbraw/zinc/92/83/77/821928377.db2.gz JGUKEGMKAWAMPR-GOEBONIOSA-N 1 0 383.460 4.191 20 0 GIADRO CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H](C)c1sc(C(C)C)nc1C ZINC000181660557 821929154 /nfs/dbraw/zinc/92/91/54/821929154.db2.gz ODRQCQYWEZQONH-ZBFHGGJFSA-N 1 0 380.579 4.478 20 0 GIADRO COc1ccc(-c2cncc(C(=O)N[C@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)c2)cc1 ZINC000181670711 821936380 /nfs/dbraw/zinc/93/63/80/821936380.db2.gz BGVIHFJBVVCCHE-MJGOQNOKSA-N 1 0 393.531 4.140 20 0 GIADRO COc1cc([C@@H](C)[NH2+]C[C@@]2(O)CCc3ccccc32)ccc1SC(F)F ZINC000181671809 821936503 /nfs/dbraw/zinc/93/65/03/821936503.db2.gz GMDOROMDMJHORF-XCLFUZPHSA-N 1 0 379.472 4.495 20 0 GIADRO CC[C@@H]([NH2+]Cc1ccc(C(=O)OC)c(OC)c1)c1ccc(OC(F)F)cc1 ZINC000181686483 821943616 /nfs/dbraw/zinc/94/36/16/821943616.db2.gz IZNUXSSZBXQREN-QGZVFWFLSA-N 1 0 379.403 4.324 20 0 GIADRO CC[C@H]([NH2+]Cc1ccc(C(=O)OC)c(OC)c1)c1ccc(OC(F)F)cc1 ZINC000181686466 821943847 /nfs/dbraw/zinc/94/38/47/821943847.db2.gz IZNUXSSZBXQREN-KRWDZBQOSA-N 1 0 379.403 4.324 20 0 GIADRO COC[C@H]([NH2+]Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1)c1ccccc1 ZINC000181689019 821944772 /nfs/dbraw/zinc/94/47/72/821944772.db2.gz DSTIHLXFQYQGKB-QHCPKHFHSA-N 1 0 395.524 4.305 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)cc1NC(C)=O ZINC000181708624 821953131 /nfs/dbraw/zinc/95/31/31/821953131.db2.gz KIZXUAQMEHCLOL-DJPFJPOOSA-N 1 0 382.504 4.472 20 0 GIADRO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@@H](C)[C@@H]1COc2ccccc21 ZINC000181720400 821960026 /nfs/dbraw/zinc/96/00/26/821960026.db2.gz QCLCISGWGFHYEJ-GUXCAODWSA-N 1 0 386.923 4.231 20 0 GIADRO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@@H](C)[C@@H]1COc2ccccc21 ZINC000181720321 821960161 /nfs/dbraw/zinc/96/01/61/821960161.db2.gz MKSSDVWGQPKVNA-GJYPPUQNSA-N 1 0 386.923 4.231 20 0 GIADRO COCCC[C@@H]([NH2+]Cc1cccc(N(C)C)n1)c1ccc(Br)cc1 ZINC000181732964 821966638 /nfs/dbraw/zinc/96/66/38/821966638.db2.gz SDMBIPQJKJLGMS-GOSISDBHSA-N 1 0 392.341 4.168 20 0 GIADRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]Cc3cccc(N(C)C)n3)s2)cc1 ZINC000181736083 821968679 /nfs/dbraw/zinc/96/86/79/821968679.db2.gz CJLXFSKTTBHYJT-AWEZNQCLSA-N 1 0 382.533 4.439 20 0 GIADRO CCCCO[C@@H]1C[C@@H]([NH2+]CC2CCN(Cc3nc(C)c(C)o3)CC2)C1(C)C ZINC000181741037 821971320 /nfs/dbraw/zinc/97/13/20/821971320.db2.gz TZBGOJVJGSCCTE-WOJBJXKFSA-N 1 0 377.573 4.077 20 0 GIADRO CN(Cc1ccccc1)c1ccc(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000181746101 821973763 /nfs/dbraw/zinc/97/37/63/821973763.db2.gz XGOQDEYFICNPIB-NRFANRHFSA-N 1 0 392.547 4.273 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(NC(N)=O)cc2)c(Br)c1 ZINC000181746703 821973768 /nfs/dbraw/zinc/97/37/68/821973768.db2.gz JXHMMPJCVBONLF-NEPJUHHUSA-N 1 0 392.297 4.360 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1OC(F)F)c1ccc(-n2ccnn2)cc1 ZINC000181751657 821976740 /nfs/dbraw/zinc/97/67/40/821976740.db2.gz MCQQPVVIZSNTFW-STQMWFEESA-N 1 0 376.382 4.420 20 0 GIADRO Cc1cc2cc(C(=O)N3CCC[C@H]4C[N@H+](C)CC[C@@H]43)oc2c(Br)c1 ZINC000181757317 821978845 /nfs/dbraw/zinc/97/88/45/821978845.db2.gz YHPADACIYKRQPX-BBRMVZONSA-N 1 0 391.309 4.060 20 0 GIADRO COc1cc(NC(=O)C[NH2+][C@@H](C)C(C)(C)c2ccccc2)c(OC)cc1Cl ZINC000181781039 821989547 /nfs/dbraw/zinc/98/95/47/821989547.db2.gz OJUKTHFVZMWHSG-AWEZNQCLSA-N 1 0 390.911 4.252 20 0 GIADRO CC[C@H]([NH2+]CCCOCC1CCOCC1)c1cc(F)cc(Br)c1 ZINC000181789871 821993345 /nfs/dbraw/zinc/99/33/45/821993345.db2.gz FDCZLTCYSXAJRP-SFHVURJKSA-N 1 0 388.321 4.462 20 0 GIADRO C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1c1ccccc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000181788456 821993355 /nfs/dbraw/zinc/99/33/55/821993355.db2.gz HFBKZDANEGOKCF-WQTXXOFMSA-N 1 0 378.520 4.067 20 0 GIADRO COc1ccc(-c2noc(C[NH2+][C@H](C)C(C)(C)c3ccccc3)n2)c(OC)c1 ZINC000181796276 821996462 /nfs/dbraw/zinc/99/64/62/821996462.db2.gz VHNHURAQYPGYJQ-OAHLLOKOSA-N 1 0 381.476 4.210 20 0 GIADRO C[C@@H]([NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(Br)s1 ZINC000181800207 821997620 /nfs/dbraw/zinc/99/76/20/821997620.db2.gz DSXGERWVIDRTQS-UKRRQHHQSA-N 1 0 393.350 4.210 20 0 GIADRO C[C@@H]([NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1C(F)(F)F ZINC000181804441 821999811 /nfs/dbraw/zinc/99/98/11/821999811.db2.gz DIWARGPZYUSKKZ-NVXWUHKLSA-N 1 0 376.422 4.405 20 0 GIADRO CC(C)Cn1cc(C[NH2+]C[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)cn1 ZINC000181811392 822002749 /nfs/dbraw/zinc/00/27/49/822002749.db2.gz TZSWCRXCJABMQX-FXAWDEMLSA-N 1 0 378.923 4.114 20 0 GIADRO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(N3CCCCC3)cc2)cc1[N+](=O)[O-] ZINC000181815217 822003974 /nfs/dbraw/zinc/00/39/74/822003974.db2.gz JRZBEBPBNVFZTG-KRWDZBQOSA-N 1 0 396.491 4.183 20 0 GIADRO Cc1ccc(CN(C(=O)C[NH2+][C@H](C)c2cccc(N3CCCC3)c2)C2CC2)o1 ZINC000181855587 822017408 /nfs/dbraw/zinc/01/74/08/822017408.db2.gz YBIRCQDVXCDJNF-GOSISDBHSA-N 1 0 381.520 4.030 20 0 GIADRO C[C@@H]([NH2+]C1(CNC(=O)c2cccn2C2CCCC2)CCOCC1)c1ccccc1 ZINC000181899269 822030731 /nfs/dbraw/zinc/03/07/31/822030731.db2.gz UWKOKTOGAJWBST-LJQANCHMSA-N 1 0 395.547 4.233 20 0 GIADRO CC[C@@H](c1nnc(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)s1)c1ccccc1 ZINC000181900165 822031064 /nfs/dbraw/zinc/03/10/64/822031064.db2.gz OSXOAFRXHAUFPG-FUHWJXTLSA-N 1 0 399.564 4.030 20 0 GIADRO CC[NH+](CC)CCOc1ccc(NC(=O)N2CCC[C@H]2c2c(C)n[nH]c2C)cc1 ZINC000181907147 822033107 /nfs/dbraw/zinc/03/31/07/822033107.db2.gz QUGVIXMUTQAOAK-FQEVSTJZSA-N 1 0 399.539 4.116 20 0 GIADRO C[C@H]([NH2+]Cc1cc(-c2ccc(Cl)cc2)no1)c1ccc(-n2cncn2)cc1 ZINC000181916079 822035910 /nfs/dbraw/zinc/03/59/10/822035910.db2.gz AIUHIUYANPPYKT-AWEZNQCLSA-N 1 0 379.851 4.427 20 0 GIADRO CC(=O)Nc1ccc([C@H](C)[NH2+]Cc2c(C)nn(Cc3ccccc3)c2C)cc1 ZINC000181924603 822037589 /nfs/dbraw/zinc/03/75/89/822037589.db2.gz IASISPVSNDEYCQ-INIZCTEOSA-N 1 0 376.504 4.357 20 0 GIADRO COc1cccc(COc2cccc(NC(=O)N(CC[NH+](C)C)C(C)C)c2C)c1 ZINC000181934741 822039392 /nfs/dbraw/zinc/03/93/92/822039392.db2.gz KJBJAHYNQWMFNG-UHFFFAOYSA-N 1 0 399.535 4.387 20 0 GIADRO CC(C)[C@H]([NH2+]Cc1cccnc1N1CCOCC1)c1ccc(Cl)cc1F ZINC000181938360 822040676 /nfs/dbraw/zinc/04/06/76/822040676.db2.gz BOZIECBCIDWPTQ-IBGZPJMESA-N 1 0 377.891 4.198 20 0 GIADRO CC(C)[C@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1ccc(Cl)cc1F ZINC000181963741 822047080 /nfs/dbraw/zinc/04/70/80/822047080.db2.gz WUSXNXKXNLKLQG-NRFANRHFSA-N 1 0 392.902 4.433 20 0 GIADRO COc1ccccc1[C@@H](O)C[NH2+]C1CCC(O)(c2ccc(C(C)C)cc2)CC1 ZINC000181978871 822051418 /nfs/dbraw/zinc/05/14/18/822051418.db2.gz HOALDTPEZHVMFL-HMXGKDEJSA-N 1 0 383.532 4.272 20 0 GIADRO Cc1cc(C)c(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c(Cl)n1 ZINC000181987918 822054629 /nfs/dbraw/zinc/05/46/29/822054629.db2.gz VMGKJLXJIYPNPN-YQQQUEKLSA-N 1 0 383.923 4.277 20 0 GIADRO COc1ccccc1N1CC[C@@H]([NH2+]Cc2ccccc2OCc2cccnc2)C1 ZINC000181991088 822055939 /nfs/dbraw/zinc/05/59/39/822055939.db2.gz MFOKNZIFFRTEBJ-OAQYLSRUSA-N 1 0 389.499 4.038 20 0 GIADRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(C)cc1-c1nc(C2CC2)no1 ZINC000182006818 822059962 /nfs/dbraw/zinc/05/99/62/822059962.db2.gz AEBGPNCDFSDGCV-DLBZAZTESA-N 1 0 395.507 4.013 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(Cl)cc(Cl)n1 ZINC000182011996 822061642 /nfs/dbraw/zinc/06/16/42/822061642.db2.gz VURNPFONKWFDSC-MRXNPFEDSA-N 1 0 392.330 4.373 20 0 GIADRO CC(=O)Nc1ccc([C@@H](C)[NH2+]CCCc2cn(-c3ccccc3)nc2C)cc1 ZINC000182014631 822063371 /nfs/dbraw/zinc/06/33/71/822063371.db2.gz JEWFQIRXTRLECF-QGZVFWFLSA-N 1 0 376.504 4.423 20 0 GIADRO CCN(CC)C(=O)c1cccc(N[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000182023859 822066104 /nfs/dbraw/zinc/06/61/04/822066104.db2.gz WWYCGSISGOECGC-SFHVURJKSA-N 1 0 383.536 4.282 20 0 GIADRO CC(=O)Nc1ccc([C@@H](C)[NH2+]CCc2ccc(F)c(Br)c2)cc1 ZINC000182023907 822066296 /nfs/dbraw/zinc/06/62/96/822066296.db2.gz GJMYAPKMBZKMAN-GFCCVEGCSA-N 1 0 379.273 4.440 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2c3ccccc3oc2C(C)=O)cc1F ZINC000182028908 822067326 /nfs/dbraw/zinc/06/73/26/822067326.db2.gz RQXRXLLYBANOHW-CHWSQXEVSA-N 1 0 398.434 4.461 20 0 GIADRO COCCC(=O)N1CCC([NH2+][C@@H](CC(C)(C)C)c2ccc(Cl)cc2)CC1 ZINC000182030128 822068118 /nfs/dbraw/zinc/06/81/18/822068118.db2.gz HYSXKIZHPSUKIY-IBGZPJMESA-N 1 0 380.960 4.434 20 0 GIADRO C[C@@H]([NH2+]Cc1cc(F)cc(Br)c1)c1ccc(-n2ccnn2)cc1 ZINC000182041182 822070855 /nfs/dbraw/zinc/07/08/55/822070855.db2.gz UEAQXJLNJKQVIC-GFCCVEGCSA-N 1 0 375.245 4.020 20 0 GIADRO COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@@H](C)c2ccc(NC(C)=O)cc2)C1 ZINC000182049059 822073550 /nfs/dbraw/zinc/07/35/50/822073550.db2.gz ZAKXFYIMWOIDQX-LIRRHRJNSA-N 1 0 387.911 4.237 20 0 GIADRO COc1ccc(Cl)cc1N1CC[C@@H]([NH2+][C@@H](C)c2ccc(NC(C)=O)cc2)C1 ZINC000182049018 822073642 /nfs/dbraw/zinc/07/36/42/822073642.db2.gz ZAKXFYIMWOIDQX-IFXJQAMLSA-N 1 0 387.911 4.237 20 0 GIADRO CC[C@@H](CC(=O)Nc1ccccc1C[NH+]1CCC(O)CC1)c1ccc(C)cc1 ZINC000182057884 822077065 /nfs/dbraw/zinc/07/70/65/822077065.db2.gz AIRQONLAPZWODH-IBGZPJMESA-N 1 0 380.532 4.474 20 0 GIADRO CSc1nnc(CCC[NH2+][C@H]2CCCOc3cc(F)ccc32)n1CC(C)C ZINC000182080055 822085092 /nfs/dbraw/zinc/08/50/92/822085092.db2.gz TUPZNHYDZIBQKX-KRWDZBQOSA-N 1 0 392.544 4.231 20 0 GIADRO COc1cc(Oc2ccccc2)ccc1NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000182086033 822087456 /nfs/dbraw/zinc/08/74/56/822087456.db2.gz ZHEDXFGYOTZBDG-GOSISDBHSA-N 1 0 395.503 4.437 20 0 GIADRO CCc1oc(C(=O)OC)cc1C[NH2+][C@H](C)c1ccc(OC)c(Br)c1 ZINC000182086331 822087992 /nfs/dbraw/zinc/08/79/92/822087992.db2.gz NHOCVSAXCFUPDC-LLVKDONJSA-N 1 0 396.281 4.251 20 0 GIADRO CC(C)(C)OC(=O)CCC[N@@H+]1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000182086822 822088048 /nfs/dbraw/zinc/08/80/48/822088048.db2.gz WZJWXPYISCCSEC-UHFFFAOYSA-N 1 0 395.931 4.002 20 0 GIADRO CCCOc1c(Cl)cc(C[N@@H+]2CCC[C@H](Cc3nccn3C)C2)cc1OC ZINC000182093478 822091188 /nfs/dbraw/zinc/09/11/88/822091188.db2.gz HALBIJAUFQGQIA-MRXNPFEDSA-N 1 0 391.943 4.326 20 0 GIADRO COC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(OC)c(Br)c2)s1 ZINC000182095073 822091976 /nfs/dbraw/zinc/09/19/76/822091976.db2.gz BLLZXCWBRVYPDR-JTQLQIEISA-N 1 0 384.295 4.157 20 0 GIADRO CC(C)Sc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1 ZINC000182096151 822092748 /nfs/dbraw/zinc/09/27/48/822092748.db2.gz QNJUHBDHFFSMNU-INIZCTEOSA-N 1 0 399.560 4.178 20 0 GIADRO Cc1cc(C[NH2+][C@H](C[S@](C)=O)c2ccccc2)ccc1Oc1cccnc1 ZINC000182100955 822093961 /nfs/dbraw/zinc/09/39/61/822093961.db2.gz INGXUVXHNZRMBL-ZBLYBZFDSA-N 1 0 380.513 4.392 20 0 GIADRO CCCOc1c(Cl)cc(C[NH2+][C@@H](C[S@](C)=O)c2ccccc2)cc1OC ZINC000182107138 822096797 /nfs/dbraw/zinc/09/67/97/822096797.db2.gz QJQACVHOMCXVSZ-QYBDOPJKSA-N 1 0 395.952 4.347 20 0 GIADRO COc1ccc([C@H](C)[NH2+]Cc2cnn(C)c2C(F)(F)F)cc1Br ZINC000182109298 822097363 /nfs/dbraw/zinc/09/73/63/822097363.db2.gz MIZPWHNCWPHOKG-VIFPVBQESA-N 1 0 392.219 4.061 20 0 GIADRO NC(=O)C[C@H]([NH2+]Cc1coc(-c2ccc(C(F)(F)F)cc2)n1)C1CCCCC1 ZINC000182114579 822099317 /nfs/dbraw/zinc/09/93/17/822099317.db2.gz VZGRKJOKFXCGEO-KRWDZBQOSA-N 1 0 395.425 4.274 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000182127062 822106214 /nfs/dbraw/zinc/10/62/14/822106214.db2.gz AOHSUKYHXCCKHJ-ZDUSSCGKSA-N 1 0 396.457 4.174 20 0 GIADRO C[C@H](Nc1cccc(OC[C@H]2CCCO2)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000182126918 822106249 /nfs/dbraw/zinc/10/62/49/822106249.db2.gz FOZHDPOWANMMMJ-FDDCHVKYSA-N 1 0 384.520 4.358 20 0 GIADRO CCCC(=O)Nc1ccc(Cl)c(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CC)c1 ZINC000182129052 822107809 /nfs/dbraw/zinc/10/78/09/822107809.db2.gz VYIJGLPMCARTEN-HOTGVXAUSA-N 1 0 392.931 4.169 20 0 GIADRO CC(=O)Nc1ccc([C@@H](C)[NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000182133543 822110525 /nfs/dbraw/zinc/11/05/25/822110525.db2.gz AJOPIHATNPUNJP-CYBMUJFWSA-N 1 0 384.867 4.242 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+][C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)s1 ZINC000182154360 822120360 /nfs/dbraw/zinc/12/03/60/822120360.db2.gz XYIRGOHQQKMART-DPZKZMLUSA-N 1 0 382.476 4.099 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1ccc(N2CCOC2=O)cc1 ZINC000182157935 822122430 /nfs/dbraw/zinc/12/24/30/822122430.db2.gz PWUNPSRPZARXSY-SMHULIPUSA-N 1 0 388.414 4.102 20 0 GIADRO CC(C)(C)OC(=O)c1ccccc1NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000182175639 822133043 /nfs/dbraw/zinc/13/30/43/822133043.db2.gz PDXCZJVEAJOWEZ-JXFKEZNVSA-N 1 0 399.535 4.123 20 0 GIADRO Cc1c(Br)cccc1C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000182196169 822141601 /nfs/dbraw/zinc/14/16/01/822141601.db2.gz FBZZVTWYUIATFQ-ZDUSSCGKSA-N 1 0 382.323 4.012 20 0 GIADRO OCC1CC[NH+](Cc2cccc(N[C@@H]3CCCOc4cc(F)ccc43)c2)CC1 ZINC000182203166 822145372 /nfs/dbraw/zinc/14/53/72/822145372.db2.gz SYUCQFGHPCEGNZ-JOCHJYFZSA-N 1 0 384.495 4.356 20 0 GIADRO COc1ccc(C2([NH2+]Cc3c(C)nn(CC(=O)OC(C)C)c3C)CCCC2)cc1 ZINC000182209483 822148730 /nfs/dbraw/zinc/14/87/30/822148730.db2.gz BXEIYPNGLOVSPG-UHFFFAOYSA-N 1 0 399.535 4.019 20 0 GIADRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000182212228 822149872 /nfs/dbraw/zinc/14/98/72/822149872.db2.gz UQNGEYPHEYBLTQ-UHFFFAOYSA-N 1 0 383.876 4.080 20 0 GIADRO CC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CCN(c3ccc(F)c(Cl)c3)C2)cc1 ZINC000182222754 822154963 /nfs/dbraw/zinc/15/49/63/822154963.db2.gz ZRKDXSGJZKFJFI-GUYCJALGSA-N 1 0 375.875 4.367 20 0 GIADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cccn1C1CCCC1 ZINC000182253392 822170484 /nfs/dbraw/zinc/17/04/84/822170484.db2.gz CJPHQEDBUWHYJE-UHFFFAOYSA-N 1 0 396.535 4.006 20 0 GIADRO CC[NH+](CC)CCC[C@H](C)NC(=O)CCc1cc(F)ccc1Br ZINC000182270284 822180473 /nfs/dbraw/zinc/18/04/73/822180473.db2.gz HCHOJHFGSDDRIU-AWEZNQCLSA-N 1 0 387.337 4.148 20 0 GIADRO Brc1cccc(C2([NH2+]C3CCN(c4nccs4)CC3)CC2)c1 ZINC000182273996 822182563 /nfs/dbraw/zinc/18/25/63/822182563.db2.gz RAYJWYQGHVDKNV-UHFFFAOYSA-N 1 0 378.339 4.153 20 0 GIADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H](c2ccc(Cl)cc2F)C(C)C)c1 ZINC000182276098 822183373 /nfs/dbraw/zinc/18/33/73/822183373.db2.gz NHGXEIKQQGQFOA-ORAYPTAESA-N 1 0 398.931 4.435 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1ccccc1Cc1ccccc1)c1ccc2c(c1)OCO2 ZINC000182305855 822195924 /nfs/dbraw/zinc/19/59/24/822195924.db2.gz KLFHHWJIGGUMSW-KRWDZBQOSA-N 1 0 388.467 4.295 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[C@@H]1CCCO1 ZINC000182307697 822197213 /nfs/dbraw/zinc/19/72/13/822197213.db2.gz LVPXGNYWDUNLRL-XEGUGMAKSA-N 1 0 378.822 4.233 20 0 GIADRO CCS(=O)(=O)c1ccc(C[NH2+][C@H]2CCc3c2cccc3Br)cc1 ZINC000182337408 822207046 /nfs/dbraw/zinc/20/70/46/822207046.db2.gz GYJRSMULTORBIE-SFHVURJKSA-N 1 0 394.334 4.020 20 0 GIADRO C[C@@H](NC(=O)NCc1cccc(C(F)(F)F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182353210 822211807 /nfs/dbraw/zinc/21/18/07/822211807.db2.gz ZWIVZGAKNHFVPL-ZBFHGGJFSA-N 1 0 383.458 4.158 20 0 GIADRO Cc1cc(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)c2ccccc2n1 ZINC000182354811 822212524 /nfs/dbraw/zinc/21/25/24/822212524.db2.gz JMYRCGSOMZPCLK-UHFFFAOYSA-N 1 0 388.515 4.326 20 0 GIADRO Cc1cc(C)cc(OCCC(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)c1 ZINC000182356922 822213740 /nfs/dbraw/zinc/21/37/40/822213740.db2.gz LFAFRKAITBEBAI-UHFFFAOYSA-N 1 0 395.547 4.241 20 0 GIADRO COc1ccccc1/C(C)=C/C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000182360177 822214864 /nfs/dbraw/zinc/21/48/64/822214864.db2.gz BBNGPUCIDQFSFI-ISLYRVAYSA-N 1 0 393.531 4.268 20 0 GIADRO CCCOc1cccc(CC(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)c1 ZINC000182361702 822215546 /nfs/dbraw/zinc/21/55/46/822215546.db2.gz SDAOAJWYRVUURY-UHFFFAOYSA-N 1 0 395.547 4.187 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H]3C[C@H]3c3cc(F)ccc3F)cc2)CC1 ZINC000182362818 822215784 /nfs/dbraw/zinc/21/57/84/822215784.db2.gz GALVGSMBXSNQLV-PZJWPPBQSA-N 1 0 399.485 4.237 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3cc(Cl)ccc3F)cc2)CC1 ZINC000182367127 822217282 /nfs/dbraw/zinc/21/72/82/822217282.db2.gz LIWBZMKYTMNAOQ-UHFFFAOYSA-N 1 0 375.875 4.262 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3cnc(-c4ccco4)s3)cc2)CC1 ZINC000182368558 822217602 /nfs/dbraw/zinc/21/76/02/822217602.db2.gz CDAGWZXBSLHGCM-UHFFFAOYSA-N 1 0 396.516 4.186 20 0 GIADRO COc1ccc(C[C@@H](C)C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)cc1 ZINC000182371077 822218492 /nfs/dbraw/zinc/21/84/92/822218492.db2.gz MPWFEVKTWIWTOQ-GOSISDBHSA-N 1 0 395.547 4.043 20 0 GIADRO COc1cccc(CN(C)C(=O)C[NH2+][C@@H](C)c2ccc(C(F)(F)F)cc2)c1 ZINC000182422498 822237500 /nfs/dbraw/zinc/23/75/00/822237500.db2.gz NKUNUJZGEZSVFS-AWEZNQCLSA-N 1 0 380.410 4.023 20 0 GIADRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)c1 ZINC000182438508 822242943 /nfs/dbraw/zinc/24/29/43/822242943.db2.gz QJOCERYELQEKQC-QZTJIDSGSA-N 1 0 395.503 4.004 20 0 GIADRO C[C@@H](NCC1(C[NH2+][C@@H](C)c2cccc(F)c2F)COC1)c1cccc(F)c1F ZINC000182444730 822245326 /nfs/dbraw/zinc/24/53/26/822245326.db2.gz NGLPEGRRZDMFHO-OKILXGFUSA-N 1 0 396.428 4.261 20 0 GIADRO Cc1ccc2cc(C(=O)Nc3ccc(N4CCC([NH+](C)C)CC4)cc3)[nH]c2c1 ZINC000182448021 822246288 /nfs/dbraw/zinc/24/62/88/822246288.db2.gz FTPKHJVXRFBCSV-UHFFFAOYSA-N 1 0 376.504 4.259 20 0 GIADRO Cc1cc(C)cc(CCC(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)c1 ZINC000182456172 822249057 /nfs/dbraw/zinc/24/90/57/822249057.db2.gz OBYOQGDOWNVHAQ-UHFFFAOYSA-N 1 0 379.548 4.405 20 0 GIADRO Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+][C@@H](C)C(=O)NCc1ccccc1 ZINC000177945267 822252071 /nfs/dbraw/zinc/25/20/71/822252071.db2.gz OVNKOUYZMPCUPX-WMZOPIPTSA-N 1 0 393.556 4.398 20 0 GIADRO CC[C@@H]([NH2+]CCCCCCN1C(=O)c2ccccc2C1=O)c1c(C)noc1C ZINC000182469649 822255233 /nfs/dbraw/zinc/25/52/33/822255233.db2.gz HDJZIZJPFKYZIS-LJQANCHMSA-N 1 0 383.492 4.189 20 0 GIADRO COCc1ccsc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000182476803 822257368 /nfs/dbraw/zinc/25/73/68/822257368.db2.gz HAVWVQTWAQRPSH-AZUAARDMSA-N 1 0 384.545 4.021 20 0 GIADRO COc1ccc(C[C@@H](C)[NH2+][C@@H](C)c2nnn(-c3ccc(F)cc3)c2C)cc1OC ZINC000177964538 822260143 /nfs/dbraw/zinc/26/01/43/822260143.db2.gz QUCOUEQCHVQEAB-CABCVRRESA-N 1 0 398.482 4.014 20 0 GIADRO 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 822262200 /nfs/dbraw/zinc/26/22/00/822262200.db2.gz KSAHNKXLSVBKMT-PNPHSEOMSA-N 1 0 397.441 4.113 20 0 GIADRO C[C@H]([NH2+][C@H]1CCSc2c(F)cccc21)c1ccc(NS(C)(=O)=O)cc1 ZINC000177971682 822263499 /nfs/dbraw/zinc/26/34/99/822263499.db2.gz LKKCEZBHMMNUSA-SJCJKPOMSA-N 1 0 380.510 4.085 20 0 GIADRO CN(C)C(=O)CCC[NH2+][C@@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21 ZINC000177991979 822273144 /nfs/dbraw/zinc/27/31/44/822273144.db2.gz VBGVNGMNEDMDDZ-OAHLLOKOSA-N 1 0 377.941 4.299 20 0 GIADRO O=c1[nH]c2ccccc2cc1C[N@H+]1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000177997387 822275920 /nfs/dbraw/zinc/27/59/20/822275920.db2.gz PSSXXMOOYVVQGG-JTHBVZDNSA-N 1 0 376.500 4.396 20 0 GIADRO CC(=O)c1ccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1Cl ZINC000182519172 822279409 /nfs/dbraw/zinc/27/94/09/822279409.db2.gz ZQCLGWJCYOSOLQ-IFXJQAMLSA-N 1 0 375.900 4.023 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1ccnn1C1CCCC1)c1ccc(OC(F)(F)F)cc1 ZINC000182519349 822279738 /nfs/dbraw/zinc/27/97/38/822279738.db2.gz AXLHWKXLGGSBBD-ZDUSSCGKSA-N 1 0 396.413 4.186 20 0 GIADRO Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)Nc3cccc(C[NH+](C)C)c3)cc2)n1 ZINC000178011716 822281479 /nfs/dbraw/zinc/28/14/79/822281479.db2.gz IUBSWWAVOKNIJC-GOSISDBHSA-N 1 0 391.519 4.433 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cccnc2Oc2cccc(C)c2C)C1 ZINC000178018983 822284477 /nfs/dbraw/zinc/28/44/77/822284477.db2.gz ZHUSHMQZGAYUJA-GOSISDBHSA-N 1 0 382.508 4.296 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCCO2)c1cccc(N2CCOC2=O)c1 ZINC000178020147 822285158 /nfs/dbraw/zinc/28/51/58/822285158.db2.gz BXDUDVLPOMDDID-HOTGVXAUSA-N 1 0 382.460 4.216 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccccc2CN2CCc3ccccc32)C1 ZINC000178019179 822285170 /nfs/dbraw/zinc/28/51/70/822285170.db2.gz FZWSLPQQONNKRC-LJQANCHMSA-N 1 0 392.547 4.055 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000182528676 822285155 /nfs/dbraw/zinc/28/51/55/822285155.db2.gz HZESYNKYDKVFST-QFIPXVFZSA-N 1 0 395.551 4.223 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)C1 ZINC000178021547 822286386 /nfs/dbraw/zinc/28/63/86/822286386.db2.gz PZXZIXYWZVVIJX-OAHLLOKOSA-N 1 0 379.932 4.467 20 0 GIADRO Cc1nn(C)c(C)c1CC[NH2+][C@@H](c1ccco1)c1ccc(Br)cc1 ZINC000182532002 822286589 /nfs/dbraw/zinc/28/65/89/822286589.db2.gz PANUKCPTZZJUJR-LJQANCHMSA-N 1 0 388.309 4.314 20 0 GIADRO Brc1ccc([C@H](NC[C@H]2CC[N@@H+](C3CC3)C2)c2ccco2)cc1 ZINC000182541336 822292358 /nfs/dbraw/zinc/29/23/58/822292358.db2.gz WQTNRVIECHREEL-KUHUBIRLSA-N 1 0 375.310 4.205 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c1 ZINC000182544653 822294436 /nfs/dbraw/zinc/29/44/36/822294436.db2.gz QZYWQVPISKUADV-SJORKVTESA-N 1 0 393.531 4.052 20 0 GIADRO O=C(Nc1ccc(-c2ncco2)cc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000182549759 822296891 /nfs/dbraw/zinc/29/68/91/822296891.db2.gz HGTLKDBLACWBTL-UHFFFAOYSA-N 1 0 376.460 4.128 20 0 GIADRO CCN(C(=O)C[NH2+][C@@H](C)c1cccc(NC(C)=O)c1)[C@H](C)c1ccc(F)cc1 ZINC000182550940 822297630 /nfs/dbraw/zinc/29/76/30/822297630.db2.gz LTHYCPUEVGRZDC-JKSUJKDBSA-N 1 0 385.483 4.044 20 0 GIADRO CCNC(=O)c1cccc(C[NH2+][C@H](CC)c2ccc(Br)cc2)c1 ZINC000178046811 822298455 /nfs/dbraw/zinc/29/84/55/822298455.db2.gz SNYTUUXGJBSNSP-GOSISDBHSA-N 1 0 375.310 4.440 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1cccc(NC(=O)c2ccccc2)c1)C(=O)NC1CCCC1 ZINC000182559745 822302280 /nfs/dbraw/zinc/30/22/80/822302280.db2.gz JTXYHKHAQSTZJZ-IAGOWNOFSA-N 1 0 379.504 4.037 20 0 GIADRO C[C@H](NC(=O)NC[C@@H]1CCCO[C@@H]1c1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182561394 822303166 /nfs/dbraw/zinc/30/31/66/822303166.db2.gz GHWDSODWURUESR-XHRGMSINSA-N 1 0 399.579 4.107 20 0 GIADRO Cc1cccc2nc(C[NH2+][C@@H](C)CC(=O)Nc3ccccc3C(F)(F)F)cn21 ZINC000178057339 822303969 /nfs/dbraw/zinc/30/39/69/822303969.db2.gz VGEWRPBJLAMBQW-ZDUSSCGKSA-N 1 0 390.409 4.168 20 0 GIADRO Cc1cccc2nc(C[NH2+][C@@H](C)c3ccc(I)cc3)cn21 ZINC000178061405 822305131 /nfs/dbraw/zinc/30/51/31/822305131.db2.gz KEEQTZFGAFKBTF-ZDUSSCGKSA-N 1 0 391.256 4.098 20 0 GIADRO CCN(CC)C(=O)CCC1CC[NH+]([C@H](C)C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000182567395 822306259 /nfs/dbraw/zinc/30/62/59/822306259.db2.gz YNDUAWDNMIWNQB-MRXNPFEDSA-N 1 0 393.959 4.028 20 0 GIADRO C[C@H]([NH2+]CCC(=O)NC1CCCC1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000182567228 822306697 /nfs/dbraw/zinc/30/66/97/822306697.db2.gz LEIVLZKYCBACPG-KRWDZBQOSA-N 1 0 379.504 4.038 20 0 GIADRO CSc1ccc(C[NH+]2CCC(OCCCNC(=O)OC(C)(C)C)CC2)cc1 ZINC000178066273 822307015 /nfs/dbraw/zinc/30/70/15/822307015.db2.gz DDTUFURBSDWLGM-UHFFFAOYSA-N 1 0 394.581 4.304 20 0 GIADRO O=C(Nc1ccc2nc(C3CC3)sc2c1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000178078642 822310896 /nfs/dbraw/zinc/31/08/96/822310896.db2.gz WGPIGJRZYZZUSH-UHFFFAOYSA-N 1 0 377.513 4.434 20 0 GIADRO CC(C)OCCCC(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000182582367 822311775 /nfs/dbraw/zinc/31/17/75/822311775.db2.gz DVCPVOPMZQKXPD-UHFFFAOYSA-N 1 0 389.540 4.035 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@H]2CCc3cc(Cl)ccc32)c1 ZINC000178085103 822313032 /nfs/dbraw/zinc/31/30/32/822313032.db2.gz NYSKTHFAOXNXPP-UGSOOPFHSA-N 1 0 388.895 4.351 20 0 GIADRO Cc1ccc(NC(=O)C2CC2)cc1N[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000182589577 822314084 /nfs/dbraw/zinc/31/40/84/822314084.db2.gz QMTGEEYSTVXDIO-KRWDZBQOSA-N 1 0 381.520 4.457 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+][C@H]2CCc3c2cccc3Cl)c1 ZINC000178090645 822314965 /nfs/dbraw/zinc/31/49/65/822314965.db2.gz ZDODARAAVWHPFF-ACJLOTCBSA-N 1 0 388.895 4.351 20 0 GIADRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+][C@H](C)C(=O)NC3CCCC3)s2)cc1 ZINC000178099421 822319152 /nfs/dbraw/zinc/31/91/52/822319152.db2.gz DQQIWWWZCBLGNM-DZGCQCFKSA-N 1 0 387.549 4.225 20 0 GIADRO C[C@@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000178111881 822323684 /nfs/dbraw/zinc/32/36/84/822323684.db2.gz GLUBNLQHURTRKN-AAEUAGOBSA-N 1 0 398.290 4.189 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc([S@](C)=O)cc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000178118643 822325141 /nfs/dbraw/zinc/32/51/41/822325141.db2.gz UGBZDNLOVGFLMQ-RHFKOARHSA-N 1 0 385.533 4.120 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1)c1ccc([S@](C)=O)cc1 ZINC000178118634 822325170 /nfs/dbraw/zinc/32/51/70/822325170.db2.gz UGBZDNLOVGFLMQ-WDYLCZHCSA-N 1 0 385.533 4.120 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc([S@](C)=O)cc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000178118619 822325272 /nfs/dbraw/zinc/32/52/72/822325272.db2.gz UGBZDNLOVGFLMQ-LKLRLBKWSA-N 1 0 385.533 4.120 20 0 GIADRO CC(C)(C)OC(=O)CCCCC[NH2+]C1CCC2(CC1)C(=O)Nc1ccccc12 ZINC000178120374 822325433 /nfs/dbraw/zinc/32/54/33/822325433.db2.gz UYNHMSHNMPBHIA-UHFFFAOYSA-N 1 0 386.536 4.311 20 0 GIADRO COc1ccc([C@@H](N[C@H](C)c2ccoc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000178123811 822326465 /nfs/dbraw/zinc/32/64/65/822326465.db2.gz KGUFMSHOCBGNDT-QVKFZJNVSA-N 1 0 385.485 4.132 20 0 GIADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2ccnc(SC(C)(C)C)c2)CC1 ZINC000182623122 822326651 /nfs/dbraw/zinc/32/66/51/822326651.db2.gz FQQQPZDQTWOJQO-MRXNPFEDSA-N 1 0 398.576 4.323 20 0 GIADRO C[C@@H](NC(=O)N[C@@H](C)c1nc(C(C)(C)C)cs1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182624805 822327132 /nfs/dbraw/zinc/32/71/32/822327132.db2.gz NGFMQXXEWRTOIG-OWCLPIDISA-N 1 0 392.613 4.454 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)NCCc1c[nH]c2ccccc12)c1cc2ccccc2o1 ZINC000182625306 822327719 /nfs/dbraw/zinc/32/77/19/822327719.db2.gz GUWUGLQTFBAOCZ-CVEARBPZSA-N 1 0 375.472 4.312 20 0 GIADRO CC(C)Oc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(N3CCCC3)cc2)cc1 ZINC000182625891 822328097 /nfs/dbraw/zinc/32/80/97/822328097.db2.gz SULRZQIEGBAMHU-SFHVURJKSA-N 1 0 381.520 4.363 20 0 GIADRO COc1cc(NC(=O)C[NH2+][C@H](C)c2cc3ccccc3o2)c(OC)cc1Cl ZINC000182627052 822328828 /nfs/dbraw/zinc/32/88/28/822328828.db2.gz MJTPQDXEKKHRFI-GFCCVEGCSA-N 1 0 388.851 4.393 20 0 GIADRO Cc1nc(C)c([C@H](C)[NH2+]C[C@H](c2ccc(Cl)cc2)N2CCOCC2)s1 ZINC000178148958 822333585 /nfs/dbraw/zinc/33/35/85/822333585.db2.gz AEWUTAHCGFDXOW-SCLBCKFNSA-N 1 0 379.957 4.137 20 0 GIADRO COC[C@H]([NH2+]Cc1ccc(NC(=O)c2ccco2)cc1)c1ccc(F)c(F)c1 ZINC000182637915 822333913 /nfs/dbraw/zinc/33/39/13/822333913.db2.gz OSJZHVFCVZJYKG-IBGZPJMESA-N 1 0 386.398 4.287 20 0 GIADRO COCCOc1ccc([C@H](C)[NH2+][C@H]2CCOc3ccc(F)cc32)cc1OC ZINC000178151230 822334909 /nfs/dbraw/zinc/33/49/09/822334909.db2.gz XVERCXWAOIRKEG-KSSFIOAISA-N 1 0 375.440 4.034 20 0 GIADRO Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000182644545 822336515 /nfs/dbraw/zinc/33/65/15/822336515.db2.gz XBAALAGMAGQMNK-QZTJIDSGSA-N 1 0 377.577 4.020 20 0 GIADRO C[C@@H](NC(=O)C1([NH3+])CCCC1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000178165902 822338498 /nfs/dbraw/zinc/33/84/98/822338498.db2.gz RHPHDZWIVIXVCJ-LLVKDONJSA-N 1 0 394.338 4.021 20 0 GIADRO COc1ccc(Cc2nc(C)c([C@H](C)[NH2+]CC(C)(C)CCO)s2)cc1OC ZINC000178166196 822338527 /nfs/dbraw/zinc/33/85/27/822338527.db2.gz RGNMYHLOBZPKKK-AWEZNQCLSA-N 1 0 392.565 4.119 20 0 GIADRO COc1cc([C@H](C)[NH2+]CCNC(=O)c2ccccc2Cl)ccc1OC(F)F ZINC000178169340 822340474 /nfs/dbraw/zinc/34/04/74/822340474.db2.gz AYCUJGDYKCLMAI-LBPRGKRZSA-N 1 0 398.837 4.031 20 0 GIADRO O=C(NCC[NH2+][C@H]1CC2(CCCC2)Oc2ccccc21)c1ccccc1Cl ZINC000178172646 822340690 /nfs/dbraw/zinc/34/06/90/822340690.db2.gz BAIFPTKFTLXMKU-IBGZPJMESA-N 1 0 384.907 4.496 20 0 GIADRO CC(C)Sc1ccccc1NC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000178170866 822340791 /nfs/dbraw/zinc/34/07/91/822340791.db2.gz HQKIPEPFKPNJIV-UHFFFAOYSA-N 1 0 384.549 4.368 20 0 GIADRO CCOc1cccc2cc([C@H](C)[NH2+]CC(=O)Nc3cc(C)nn3C(C)(C)C)oc21 ZINC000182662875 822343515 /nfs/dbraw/zinc/34/35/15/822343515.db2.gz WSBSXXFHPSEUOL-HNNXBMFYSA-N 1 0 398.507 4.381 20 0 GIADRO COc1cc(O)c(C[NH2+]C(C)(C)c2ccccc2Br)cc1OC ZINC000182666569 822344563 /nfs/dbraw/zinc/34/45/63/822344563.db2.gz RDHVVDDREUHNMM-UHFFFAOYSA-N 1 0 380.282 4.197 20 0 GIADRO COc1sc(CNc2c[nH+]ccc2-n2cc(C)cn2)cc1Br ZINC000182667834 822345020 /nfs/dbraw/zinc/34/50/20/822345020.db2.gz XKSMAMSSLCFNDR-UHFFFAOYSA-N 1 0 379.283 4.020 20 0 GIADRO CN(C)[C@H](C[NH2+]C1CCC2(CC1)C(=O)Nc1ccccc12)c1ccccc1Cl ZINC000178189382 822347178 /nfs/dbraw/zinc/34/71/78/822347178.db2.gz WNZBTPRGVJGRFF-FCRSDJTPSA-N 1 0 397.950 4.365 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1cc(Cl)ccc1OC(F)F ZINC000178194915 822348762 /nfs/dbraw/zinc/34/87/62/822348762.db2.gz OCZNQSYVZUSHBR-TZMCWYRMSA-N 1 0 382.842 4.051 20 0 GIADRO Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000178193773 822348917 /nfs/dbraw/zinc/34/89/17/822348917.db2.gz QYXGYHBKUSYLIA-VQIMIIECSA-N 1 0 393.560 4.152 20 0 GIADRO C[C@H]([NH2+]C[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccc2ccccc2n1 ZINC000178197413 822349215 /nfs/dbraw/zinc/34/92/15/822349215.db2.gz OJSFXWXCSSWYHE-SBUREZEXSA-N 1 0 379.479 4.098 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1F)[C@@H](C)c1nc2ccccc2s1 ZINC000178202295 822350944 /nfs/dbraw/zinc/35/09/44/822350944.db2.gz YVBXQJZLDPMMQF-GHMZBOCLSA-N 1 0 393.434 4.434 20 0 GIADRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCCCCCO)o2)c(Br)c1 ZINC000182692955 822353130 /nfs/dbraw/zinc/35/31/30/822353130.db2.gz XXLSGDZLOKHAGI-UHFFFAOYSA-N 1 0 397.269 4.260 20 0 GIADRO CC(C)C(=O)NCC[NH2+][C@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21 ZINC000178225586 822356129 /nfs/dbraw/zinc/35/61/29/822356129.db2.gz JQBGLNMYIXKVSC-HNNXBMFYSA-N 1 0 377.941 4.203 20 0 GIADRO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000178233063 822357142 /nfs/dbraw/zinc/35/71/42/822357142.db2.gz ZNZHYPARCDWDAN-SJORKVTESA-N 1 0 380.561 4.438 20 0 GIADRO CCc1ccc(NC(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)cc1CC ZINC000182714163 822357183 /nfs/dbraw/zinc/35/71/83/822357183.db2.gz KCOWMOUDCMRVJN-UHFFFAOYSA-N 1 0 395.547 4.090 20 0 GIADRO C[C@@H](OCCCNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000045029160 822358144 /nfs/dbraw/zinc/35/81/44/822358144.db2.gz FSUHIJKSPTZJCP-HXUWFJFHSA-N 1 0 395.547 4.118 20 0 GIADRO Cc1cnc(CC[NH2+][C@@H]2c3cc(Br)ccc3SC[C@@H]2C)cn1 ZINC000453404311 822358429 /nfs/dbraw/zinc/35/84/29/822358429.db2.gz PNWFOHCUAPBLCB-GTNSWQLSSA-N 1 0 378.339 4.163 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCO[C@H](c2nccn2C)C1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000453405519 822358615 /nfs/dbraw/zinc/35/86/15/822358615.db2.gz SSAHJUKRONPHHK-OVAAFMSASA-N 1 0 398.334 4.393 20 0 GIADRO CCc1ccc(C[C@@H](Cc2ccc(Cl)cc2)[NH2+]CCc2cnc(C)cn2)nc1 ZINC000453408196 822358671 /nfs/dbraw/zinc/35/86/71/822358671.db2.gz SMWCNOBWHQKIKF-HSZRJFAPSA-N 1 0 394.950 4.382 20 0 GIADRO C[C@H]1C[NH+](CCC2CCN(C(=O)c3csc4ccccc34)CC2)C[C@H](C)O1 ZINC000178253967 822359017 /nfs/dbraw/zinc/35/90/17/822359017.db2.gz UZQHTEKHXZSRHJ-IRXDYDNUSA-N 1 0 386.561 4.253 20 0 GIADRO C[C@H](NC(=O)NC[C@@H](c1cccs1)[NH+](C)C)c1ccc(OC(F)F)cc1 ZINC000045039652 822359209 /nfs/dbraw/zinc/35/92/09/822359209.db2.gz VGHQLHCFAVJAPM-WFASDCNBSA-N 1 0 383.464 4.013 20 0 GIADRO Cc1cc(C(=O)N2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(C)n1C(C)C ZINC000178257513 822359877 /nfs/dbraw/zinc/35/98/77/822359877.db2.gz WPHUJTVNIUIERQ-KDURUIRLSA-N 1 0 389.584 4.037 20 0 GIADRO Cn1ccnc1[C@@H]1C[C@H]([NH2+][C@H]2CCCc3c(Br)cccc32)CCO1 ZINC000453416971 822359928 /nfs/dbraw/zinc/35/99/28/822359928.db2.gz ZTFYFYJYEVMAEH-BVGQSLNGSA-N 1 0 390.325 4.070 20 0 GIADRO Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000045065537 822360873 /nfs/dbraw/zinc/36/08/73/822360873.db2.gz ORNKIHNAHAKQOH-UHFFFAOYSA-N 1 0 394.302 4.313 20 0 GIADRO Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000182756795 822362927 /nfs/dbraw/zinc/36/29/27/822362927.db2.gz NGAAKEZAOUPWMV-UXHICEINSA-N 1 0 389.588 4.021 20 0 GIADRO Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000182756816 822362987 /nfs/dbraw/zinc/36/29/87/822362987.db2.gz NGAAKEZAOUPWMV-WOJBJXKFSA-N 1 0 389.588 4.021 20 0 GIADRO C[C@@H]([NH2+]C[C@@H]1CCOC(C)(C)C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000453439000 822363162 /nfs/dbraw/zinc/36/31/62/822363162.db2.gz VQBAIYDMOHHACX-IAGOWNOFSA-N 1 0 379.566 4.259 20 0 GIADRO C[C@H](C[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1)Oc1ccccc1Br ZINC000178292788 822364101 /nfs/dbraw/zinc/36/41/01/822364101.db2.gz ODNORAFDTVHCGT-XXAQJILISA-N 1 0 396.350 4.305 20 0 GIADRO CCOc1ccc(CN(C)C(=O)NCc2ccccc2C[NH+](CC)CC)cc1 ZINC000045132530 822364923 /nfs/dbraw/zinc/36/49/23/822364923.db2.gz LERJLSDOYPWCAQ-UHFFFAOYSA-N 1 0 383.536 4.269 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)NCc1ccc(OC(F)F)cc1 ZINC000045132380 822364937 /nfs/dbraw/zinc/36/49/37/822364937.db2.gz VQZJTUNXWSAFAX-UHFFFAOYSA-N 1 0 391.462 4.129 20 0 GIADRO O=C(c1ccccc1)N1CCC([NH2+]Cc2cc(Cl)cc3cccnc32)CC1 ZINC000178302372 822365277 /nfs/dbraw/zinc/36/52/77/822365277.db2.gz OPBKFHRHANQFKH-UHFFFAOYSA-N 1 0 379.891 4.283 20 0 GIADRO CCOCCOCc1cccc(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)c1C ZINC000178310811 822366106 /nfs/dbraw/zinc/36/61/06/822366106.db2.gz WOFSUDGXMLVXKX-IBGZPJMESA-N 1 0 388.552 4.141 20 0 GIADRO C[C@@H](Nc1cccc(C(=O)NC(C)(C)C)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000182781836 822366662 /nfs/dbraw/zinc/36/66/62/822366662.db2.gz CTDDTHLCDQMEIJ-QGZVFWFLSA-N 1 0 383.536 4.328 20 0 GIADRO COc1ccc(Cc2nc(C)c([C@H](C)[NH2+][C@@H]3C[C@H]4CC[C@@H]3O4)s2)cc1OC ZINC000178318203 822366927 /nfs/dbraw/zinc/36/69/27/822366927.db2.gz YPXBRPGQMVXDAQ-DXEWXGHRSA-N 1 0 388.533 4.030 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccnc2C)cnn1-c1cc(C)ccc1C ZINC000453456070 822367158 /nfs/dbraw/zinc/36/71/58/822367158.db2.gz VAFGMTUFQJDJCR-WMZOPIPTSA-N 1 0 391.519 4.179 20 0 GIADRO COc1ccc([C@H](Cc2ccncc2)[NH2+][C@@H](CO)Cc2ccc(C)c(C)c2)cc1 ZINC000453456640 822367325 /nfs/dbraw/zinc/36/73/25/822367325.db2.gz VARGYWJUDNKDGH-NOZRDPDXSA-N 1 0 390.527 4.184 20 0 GIADRO CCOc1cc(NC(=O)NCc2ccc(C[NH+](CC)CC)cc2)ccc1OC ZINC000045181448 822368237 /nfs/dbraw/zinc/36/82/37/822368237.db2.gz AOQLPOZYKMDCKU-UHFFFAOYSA-N 1 0 385.508 4.257 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)Nc2ccc(NC(=O)OC)cc2)cc1 ZINC000045181424 822368254 /nfs/dbraw/zinc/36/82/54/822368254.db2.gz UZKADTKJKDPVQL-UHFFFAOYSA-N 1 0 384.480 4.028 20 0 GIADRO CN(Cc1ccc(F)c(F)c1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000045186972 822368744 /nfs/dbraw/zinc/36/87/44/822368744.db2.gz LBHIWCFGVQNGBX-UHFFFAOYSA-N 1 0 387.474 4.292 20 0 GIADRO COc1cccc([C@H]2CCCN2C(=O)NCc2ccccc2C[NH+]2CCCC2)c1 ZINC000045191926 822369328 /nfs/dbraw/zinc/36/93/28/822369328.db2.gz BZAVLLPLRZLFTE-HSZRJFAPSA-N 1 0 393.531 4.338 20 0 GIADRO CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+][C@@H](CO)Cc2ccc(C)c(C)c2)cc1 ZINC000453469207 822371441 /nfs/dbraw/zinc/37/14/41/822371441.db2.gz ZXWMEUQKTSUAIM-AUSIDOKSSA-N 1 0 397.563 4.431 20 0 GIADRO C[C@H](NC(=O)Nc1cccc(Cl)c1N(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182834002 822375234 /nfs/dbraw/zinc/37/52/34/822375234.db2.gz RETAOGKMOVIBDF-LSDHHAIUSA-N 1 0 378.948 4.181 20 0 GIADRO CCCCCOc1ccc(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)cc1 ZINC000045288563 822376303 /nfs/dbraw/zinc/37/63/03/822376303.db2.gz CRVCXIVPEBUPMR-UHFFFAOYSA-N 1 0 381.520 4.260 20 0 GIADRO O=C(Nc1cccnc1Cl)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000178409038 822376542 /nfs/dbraw/zinc/37/65/42/822376542.db2.gz GMKWDYPQLCZMFT-KRWDZBQOSA-N 1 0 383.801 4.128 20 0 GIADRO O=C(Nc1cccnc1Cl)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000178409024 822376582 /nfs/dbraw/zinc/37/65/82/822376582.db2.gz GMKWDYPQLCZMFT-QGZVFWFLSA-N 1 0 383.801 4.128 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(c2ncccc2F)C1)c1cc(Br)ccc1F ZINC000178423378 822377741 /nfs/dbraw/zinc/37/77/41/822377741.db2.gz CQSWUMHIKBIYKA-WCQYABFASA-N 1 0 382.252 4.052 20 0 GIADRO C[C@@H](Oc1cccc(F)c1)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000045299700 822377699 /nfs/dbraw/zinc/37/76/99/822377699.db2.gz NVILYLWHYWSFRP-OAHLLOKOSA-N 1 0 390.886 4.027 20 0 GIADRO C[C@@H]([NH2+]CCc1ccc(Br)cc1)c1cccc(N2CCOC2=O)c1 ZINC000178425010 822377970 /nfs/dbraw/zinc/37/79/70/822377970.db2.gz GPGIUSHWZXODHZ-CQSZACIVSA-N 1 0 389.293 4.299 20 0 GIADRO C[N@H+](Cc1ccc(OCc2ccccn2)cc1)Cc1ccc([S@@](C)=O)cc1 ZINC000178429566 822378166 /nfs/dbraw/zinc/37/81/66/822378166.db2.gz HNYMCYCXKBMMTM-HHHXNRCGSA-N 1 0 380.513 4.030 20 0 GIADRO O=C(NCCC[NH+]1CCCCC1)c1cc(C(F)(F)F)ccc1Br ZINC000178430454 822378512 /nfs/dbraw/zinc/37/85/12/822378512.db2.gz NSQKZHRWYAOJGU-UHFFFAOYSA-N 1 0 393.247 4.074 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000182851248 822378901 /nfs/dbraw/zinc/37/89/01/822378901.db2.gz VFOFSIQNORAYLY-UWJYYQICSA-N 1 0 390.487 4.249 20 0 GIADRO Cc1nc(CNC(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)cs1 ZINC000045342242 822379476 /nfs/dbraw/zinc/37/94/76/822379476.db2.gz VUXHZCZZLCBFBR-UHFFFAOYSA-N 1 0 394.544 4.180 20 0 GIADRO COc1ccccc1[C@H](O)C[NH2+][C@H](C)c1cnn(-c2cc(C)ccc2C)c1C ZINC000178443840 822379551 /nfs/dbraw/zinc/37/95/51/822379551.db2.gz OSSNUZFPSARLEV-VGOFRKELSA-N 1 0 379.504 4.190 20 0 GIADRO COc1ccccc1[C@@H](O)C[NH2+][C@H](C)c1cnn(-c2cc(C)ccc2C)c1C ZINC000178443819 822379663 /nfs/dbraw/zinc/37/96/63/822379663.db2.gz OSSNUZFPSARLEV-VGSWGCGISA-N 1 0 379.504 4.190 20 0 GIADRO Cc1c([C@@H](C)[NH2+]Cc2ccc(N3CCCC3=O)cc2)cnn1-c1ccc(F)cc1 ZINC000178446533 822379848 /nfs/dbraw/zinc/37/98/48/822379848.db2.gz YTCRMRCBNZRMOZ-MRXNPFEDSA-N 1 0 392.478 4.297 20 0 GIADRO C[C@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1cnn(C)c1 ZINC000178449374 822380051 /nfs/dbraw/zinc/38/00/51/822380051.db2.gz HCQPQQQDLICWAB-INIZCTEOSA-N 1 0 375.451 4.263 20 0 GIADRO Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+][C@H](C)C(=O)N1CCCCC1 ZINC000178463681 822381760 /nfs/dbraw/zinc/38/17/60/822381760.db2.gz NVPOJRIKKMICLB-DZGCQCFKSA-N 1 0 375.513 4.309 20 0 GIADRO Cc1c([C@@H](C)[NH2+]CCC(=O)Nc2ccccc2C)cnn1-c1ccc(F)cc1 ZINC000182866634 822381995 /nfs/dbraw/zinc/38/19/95/822381995.db2.gz AGMBPPNYFPTXTJ-MRXNPFEDSA-N 1 0 380.467 4.308 20 0 GIADRO CCOc1ccc2c(c1)[C@H]([NH2+]Cc1cc(Cl)c(OC)c(OC)c1)CCO2 ZINC000178471323 822382537 /nfs/dbraw/zinc/38/25/37/822382537.db2.gz OBKJIZIKWWVKFC-QGZVFWFLSA-N 1 0 377.868 4.369 20 0 GIADRO C[C@H](NC(=O)Nc1ccc(N2CCCC2)c(F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182868865 822382665 /nfs/dbraw/zinc/38/26/65/822382665.db2.gz IGSUIMYAWSGWOF-DLBZAZTESA-N 1 0 388.531 4.200 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(OC(F)(F)F)cc2)cc1NC(C)=O ZINC000178472796 822382789 /nfs/dbraw/zinc/38/27/89/822382789.db2.gz XWTTTXZSUHIYTP-GFCCVEGCSA-N 1 0 382.382 4.403 20 0 GIADRO CC(C)C(=O)Nc1ccc(C[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)cc1 ZINC000178477870 822383151 /nfs/dbraw/zinc/38/31/51/822383151.db2.gz QDAUHZKBDLJVMZ-MRXNPFEDSA-N 1 0 381.476 4.089 20 0 GIADRO Cc1cccc(C(C)C)c1NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000182875858 822383975 /nfs/dbraw/zinc/38/39/75/822383975.db2.gz WBXDZPAYMPVJHL-OAQYLSRUSA-N 1 0 395.547 4.397 20 0 GIADRO CCN(C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)[C@H](C)c1cccc(OC)c1 ZINC000182877113 822384377 /nfs/dbraw/zinc/38/43/77/822384377.db2.gz LVZWTSSJFWPRMS-QWFCFKBJSA-N 1 0 387.568 4.441 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc(OC(F)F)cc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000178496992 822385292 /nfs/dbraw/zinc/38/52/92/822385292.db2.gz NNLONZWWDRYFRQ-CHWSQXEVSA-N 1 0 384.448 4.071 20 0 GIADRO Clc1cccc(N2CC[NH+](C3CCN(C/C=C\c4ccncc4)CC3)CC2)c1 ZINC000453570012 822385698 /nfs/dbraw/zinc/38/56/98/822385698.db2.gz BSRBZOKACBOOGX-IHWYPQMZSA-N 1 0 396.966 4.035 20 0 GIADRO O[C@@H](COCc1cccs1)C[N@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000178508746 822386380 /nfs/dbraw/zinc/38/63/80/822386380.db2.gz HAKQTWJZTOELFP-QGZVFWFLSA-N 1 0 386.492 4.035 20 0 GIADRO C[C@H](NC(=O)Nc1ccc(Br)cc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182887714 822386431 /nfs/dbraw/zinc/38/64/31/822386431.db2.gz SCTAUVUDTZGSNB-STQMWFEESA-N 1 0 398.320 4.363 20 0 GIADRO Fc1ccc(-n2cc(C[NH+]3CCC4(CC3)OCCc3ccccc34)cn2)cc1 ZINC000453575321 822386909 /nfs/dbraw/zinc/38/69/09/822386909.db2.gz NCQZTTJYXZTFPI-UHFFFAOYSA-N 1 0 377.463 4.075 20 0 GIADRO CC1(C)C[C@H](C[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)CCO1 ZINC000453577303 822387121 /nfs/dbraw/zinc/38/71/21/822387121.db2.gz HNXHRBXYDBUOHS-CYBMUJFWSA-N 1 0 378.314 4.134 20 0 GIADRO CC(C)n1ncc2cc(C[NH+]3CCC4(CC3)OCCc3ccccc34)cnc21 ZINC000453577062 822387130 /nfs/dbraw/zinc/38/71/30/822387130.db2.gz RFXHZDJCYDYDCG-UHFFFAOYSA-N 1 0 376.504 4.076 20 0 GIADRO CCOC(=O)Nc1ccc(NC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000182892523 822387416 /nfs/dbraw/zinc/38/74/16/822387416.db2.gz QUHZWFTUDOFSBL-CVEARBPZSA-N 1 0 388.512 4.030 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)C(=O)N[C@@H](c3ccccc3)C(C)(C)C)ccc21 ZINC000453578972 822387525 /nfs/dbraw/zinc/38/75/25/822387525.db2.gz VZCXKXJQPOQESK-RTWAWAEBSA-N 1 0 393.531 4.078 20 0 GIADRO [NH3+]C[C@@H]1CCN(C(=O)c2c3c(nc4ccccc42)/C(=C\c2ccccc2)CC3)C1 ZINC000178523746 822387671 /nfs/dbraw/zinc/38/76/71/822387671.db2.gz DELQFHMPLIWBBO-OWBBTNHHSA-N 1 0 383.495 4.142 20 0 GIADRO CC(C)C[NH+]1CCC(NC(=O)N2CCC[C@H]2c2nc3ccccc3s2)CC1 ZINC000045462619 822388769 /nfs/dbraw/zinc/38/87/69/822388769.db2.gz FKZCWYWKUDNTHO-SFHVURJKSA-N 1 0 386.565 4.263 20 0 GIADRO [NH3+]C[C@H]1CCN(C(=O)c2sc(-c3ccccc3)cc2OCc2ccccc2)C1 ZINC000178540839 822389672 /nfs/dbraw/zinc/38/96/72/822389672.db2.gz STGBBOGKEBIQTF-GOSISDBHSA-N 1 0 392.524 4.415 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000178544107 822390060 /nfs/dbraw/zinc/39/00/60/822390060.db2.gz NUEQDYISPCVMMC-HNAYVOBHSA-N 1 0 379.529 4.347 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)CCSc1nc2ccccc2s1)c1ccsc1 ZINC000045495881 822390671 /nfs/dbraw/zinc/39/06/71/822390671.db2.gz JQDXVZBONAMJPA-OAHLLOKOSA-N 1 0 391.587 4.259 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)c2ccc(C(F)(F)F)nc2Cl)[NH+](C)C)cc1 ZINC000178549152 822390743 /nfs/dbraw/zinc/39/07/43/822390743.db2.gz CKRHKDNICQMJEL-CQSZACIVSA-N 1 0 385.817 4.095 20 0 GIADRO Cc1cnc(CC[NH2+]Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)cn1 ZINC000453601055 822391250 /nfs/dbraw/zinc/39/12/50/822391250.db2.gz TXCCMOLQASLADL-UHFFFAOYSA-N 1 0 378.423 4.260 20 0 GIADRO C[C@H](O)c1ccc(C[NH2+][C@@H](C)c2ccc(I)cc2)cc1 ZINC000178554769 822391413 /nfs/dbraw/zinc/39/14/13/822391413.db2.gz JSCUWUBODSNJQZ-STQMWFEESA-N 1 0 381.257 4.195 20 0 GIADRO C[C@H](O)c1ccc(C[NH2+][C@@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000178555043 822391633 /nfs/dbraw/zinc/39/16/33/822391633.db2.gz MMRDUPBTFNVPDI-KBPBESRZSA-N 1 0 396.409 4.145 20 0 GIADRO CCOc1cc(C[NH2+]CCc2cnc(C)cn2)ccc1OCc1ccccc1 ZINC000453605037 822391650 /nfs/dbraw/zinc/39/16/50/822391650.db2.gz ZQRZTSIRNKNIBR-UHFFFAOYSA-N 1 0 377.488 4.095 20 0 GIADRO CCOc1ccc(OCC)c(NC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000182914873 822391765 /nfs/dbraw/zinc/39/17/65/822391765.db2.gz QBDMYRKGVCFWFC-DLBZAZTESA-N 1 0 389.540 4.259 20 0 GIADRO CC(C)C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)c1cccs1 ZINC000453605448 822391998 /nfs/dbraw/zinc/39/19/98/822391998.db2.gz OUCMHDWYBQJRQI-RTBURBONSA-N 1 0 399.560 4.139 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(CO)c(F)c1)c1ccc(OC(F)F)cc1OC(F)F ZINC000178566667 822392448 /nfs/dbraw/zinc/39/24/48/822392448.db2.gz NGIXKILEERMYFI-JTQLQIEISA-N 1 0 391.336 4.372 20 0 GIADRO COc1ccc(C[C@H]([NH2+][C@@H]2c3ccccc3C[C@@H]2O)c2ccc(OC)cc2)cc1 ZINC000178570320 822392610 /nfs/dbraw/zinc/39/26/10/822392610.db2.gz QLKLBRDKXGDXRI-CCDWMCETSA-N 1 0 389.495 4.236 20 0 GIADRO CCC(CC)c1nnc(NC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)s1 ZINC000182919162 822392688 /nfs/dbraw/zinc/39/26/88/822392688.db2.gz MGLJCGVCXYLIRK-ZFWWWQNUSA-N 1 0 379.574 4.216 20 0 GIADRO CCC(CC)c1nnc(NC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)s1 ZINC000182919121 822392828 /nfs/dbraw/zinc/39/28/28/822392828.db2.gz MGLJCGVCXYLIRK-DZGCQCFKSA-N 1 0 379.574 4.216 20 0 GIADRO OCC1([C@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)c2ccccc2)CCCC1 ZINC000453611425 822392835 /nfs/dbraw/zinc/39/28/35/822392835.db2.gz IHUREZAKYBMCMQ-HSZRJFAPSA-N 1 0 375.516 4.315 20 0 GIADRO Cc1nc(-c2ccccc2)c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000178572381 822392894 /nfs/dbraw/zinc/39/28/94/822392894.db2.gz OKKQVYPEAJKENY-PKOBYXMFSA-N 1 0 381.545 4.207 20 0 GIADRO C[C@@H](c1ccccc1Cl)N(C)C(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000453612310 822393114 /nfs/dbraw/zinc/39/31/14/822393114.db2.gz JCWLAQKLWLKVST-VBKZILBWSA-N 1 0 399.922 4.047 20 0 GIADRO COc1cccc([C@@H](CNC(=O)[C@@H]2CCCc3ccccc32)[NH+]2CCCC2)c1 ZINC000045528269 822393394 /nfs/dbraw/zinc/39/33/94/822393394.db2.gz RYHDFIUXXXQAAU-DHIUTWEWSA-N 1 0 378.516 4.068 20 0 GIADRO Cc1nn(-c2cc[nH+]cc2)cc1CNc1ccc2c(c1)CN(CC(F)(F)F)C2 ZINC000453616656 822393982 /nfs/dbraw/zinc/39/39/82/822393982.db2.gz QDGGUVUHBVRZHH-UHFFFAOYSA-N 1 0 387.409 4.066 20 0 GIADRO O=C1OCCN1CCC[NH2+][C@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21 ZINC000178590697 822394349 /nfs/dbraw/zinc/39/43/49/822394349.db2.gz PZJYVYIGNSCQBG-HNNXBMFYSA-N 1 0 391.924 4.273 20 0 GIADRO C[C@H](c1cccc(Cl)c1)N(C)C(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000453622301 822394554 /nfs/dbraw/zinc/39/45/54/822394554.db2.gz VFECSBWVIHTIDE-JLTOFOAXSA-N 1 0 399.922 4.047 20 0 GIADRO Cc1cc(C(=O)C[N@H+](C[C@H]2CCOC2)C2CC2)c(C)n1CCc1cccs1 ZINC000178594859 822394838 /nfs/dbraw/zinc/39/48/38/822394838.db2.gz UKZZZNSVVIKRTE-GOSISDBHSA-N 1 0 386.561 4.093 20 0 GIADRO CC[C@H](C)[N@H+](CCc1cccnc1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000178595122 822394892 /nfs/dbraw/zinc/39/48/92/822394892.db2.gz CZESLANYZQOEKO-HNNXBMFYSA-N 1 0 379.426 4.382 20 0 GIADRO CC[NH+](CC)Cc1cc([C@@H](C)NCc2cn3c(cccc3C)n2)ccc1OC ZINC000182930531 822395136 /nfs/dbraw/zinc/39/51/36/822395136.db2.gz LGAOWEUEMLHIRC-GOSISDBHSA-N 1 0 380.536 4.344 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)Nc2ccc(OC)cc2OC)CC1 ZINC000182931439 822395185 /nfs/dbraw/zinc/39/51/85/822395185.db2.gz ZLASOVMPDFNPNM-UHFFFAOYSA-N 1 0 377.529 4.070 20 0 GIADRO O[C@@H](C[NH2+][C@@H]1CCSc2c(F)cccc21)c1cc(Cl)c2c(c1)OCCO2 ZINC000178604403 822395671 /nfs/dbraw/zinc/39/56/71/822395671.db2.gz VVVFAQASZNEHFS-CVEARBPZSA-N 1 0 395.883 4.110 20 0 GIADRO Cc1cc(C[N@@H+]2CCCN(c3nccs3)CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000178608784 822396016 /nfs/dbraw/zinc/39/60/16/822396016.db2.gz OAEALAZJJMRREE-UHFFFAOYSA-N 1 0 399.951 4.274 20 0 GIADRO CCCOc1ccc([C@@H](C)[NH2+]Cc2cccc(NC(=O)[C@@H]3CCCO3)c2)cc1 ZINC000178615449 822396501 /nfs/dbraw/zinc/39/65/01/822396501.db2.gz UUWJCKACMCVRTM-VGSWGCGISA-N 1 0 382.504 4.444 20 0 GIADRO Cc1cc(N(C)C)cc(C)c1NC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000178621773 822396909 /nfs/dbraw/zinc/39/69/09/822396909.db2.gz COUKYGJTJSSBRV-UHFFFAOYSA-N 1 0 394.563 4.152 20 0 GIADRO CC1(C)C[C@H]([NH2+]Cc2cccc(C(=O)NC[C@@H]3CCCO3)c2)c2ccccc21 ZINC000178639931 822398673 /nfs/dbraw/zinc/39/86/73/822398673.db2.gz WJLMOTNSQGNJIU-UGKGYDQZSA-N 1 0 378.516 4.108 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)N1CCc2c(cccc2OC)C1 ZINC000182952846 822398923 /nfs/dbraw/zinc/39/89/23/822398923.db2.gz XEHRYYPGNXBYSS-UHFFFAOYSA-N 1 0 397.519 4.006 20 0 GIADRO Cc1cc(C)n(-c2ccc(C[NH2+][C@@H](C)c3cn(C)nc3C)c(C(F)(F)F)c2)n1 ZINC000178640996 822398880 /nfs/dbraw/zinc/39/88/80/822398880.db2.gz ZZWDTPJXNBGGJT-AWEZNQCLSA-N 1 0 391.441 4.401 20 0 GIADRO C[C@@H](NC(=O)N(Cc1ccco1)Cc1ccco1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182952015 822398966 /nfs/dbraw/zinc/39/89/66/822398966.db2.gz ZYFAVUJIIVCQPL-QZTJIDSGSA-N 1 0 385.508 4.237 20 0 GIADRO CC(C)[C@@H]([NH2+][C@H](C)CC(=O)Nc1cccnc1Cl)c1nc2ccccc2[nH]1 ZINC000178644180 822399065 /nfs/dbraw/zinc/39/90/65/822399065.db2.gz RKCOSHOJWLYVHR-FZKQIMNGSA-N 1 0 385.899 4.315 20 0 GIADRO OCC[C@H](C[NH2+][C@H]1CCCOc2cc(Br)ccc21)c1ccccc1 ZINC000178653631 822399830 /nfs/dbraw/zinc/39/98/30/822399830.db2.gz XFBPKJMKPWRXHP-APWZRJJASA-N 1 0 390.321 4.419 20 0 GIADRO COc1cc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)ccc1OC1CCCC1 ZINC000045614348 822400441 /nfs/dbraw/zinc/40/04/41/822400441.db2.gz FNZNTTAETPEHLZ-IBGZPJMESA-N 1 0 398.503 4.177 20 0 GIADRO COc1ccc(C[N@H+](C)CCC(=O)Nc2ccccc2C(F)(F)F)c(OC)c1 ZINC000178673622 822401523 /nfs/dbraw/zinc/40/15/23/822401523.db2.gz AWSXURGGQXURML-UHFFFAOYSA-N 1 0 396.409 4.183 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)s1)C(=O)NCCc1c[nH]c2ccccc12 ZINC000182972412 822402217 /nfs/dbraw/zinc/40/22/17/822402217.db2.gz FQUCVZKUAMPPIX-QWHCGFSZSA-N 1 0 375.925 4.281 20 0 GIADRO COc1ccc(/C=C/C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000045649122 822402801 /nfs/dbraw/zinc/40/28/01/822402801.db2.gz SNVZYOKCHQEFJX-BGVYSJOJSA-N 1 0 384.907 4.315 20 0 GIADRO CN(Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000045658499 822403111 /nfs/dbraw/zinc/40/31/11/822403111.db2.gz WTXYQKFXPHVRND-INIZCTEOSA-N 1 0 385.455 4.211 20 0 GIADRO Cc1nccn1C[C@@H](C)C[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000178699608 822403775 /nfs/dbraw/zinc/40/37/75/822403775.db2.gz LPDBWQFKINFCMZ-SUMWQHHRSA-N 1 0 378.314 4.094 20 0 GIADRO Cc1cc(Cl)c(NC(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)cc1C ZINC000453719703 822404458 /nfs/dbraw/zinc/40/44/58/822404458.db2.gz YDQOYRSHCPCBNE-UHFFFAOYSA-N 1 0 399.922 4.172 20 0 GIADRO C[C@@H]([NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1)c1cncc(F)c1 ZINC000178712636 822404880 /nfs/dbraw/zinc/40/48/80/822404880.db2.gz FMUCFYMVDCFVCO-KGLIPLIRSA-N 1 0 378.289 4.160 20 0 GIADRO CC[C@H](C)NC(=O)CC[NH2+][C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000178717495 822405319 /nfs/dbraw/zinc/40/53/19/822405319.db2.gz SVTJQMYBCZQXEV-BBRMVZONSA-N 1 0 375.513 4.221 20 0 GIADRO COc1cc(C[N@H+](C)CCC(=O)Nc2ccccc2Cl)ccc1OC(F)F ZINC000045681198 822405269 /nfs/dbraw/zinc/40/52/69/822405269.db2.gz BFWSMCMUEWILSG-UHFFFAOYSA-N 1 0 398.837 4.411 20 0 GIADRO CCOc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1ccc(N3CCCC3=O)cc1)CCO2 ZINC000178722393 822405733 /nfs/dbraw/zinc/40/57/33/822405733.db2.gz HTAFMNLPVJBBRX-IERDGZPVSA-N 1 0 380.488 4.387 20 0 GIADRO Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)NC[C@H]3CCC[N@@H+](CC(C)C)C3)nc2c1 ZINC000178729804 822405933 /nfs/dbraw/zinc/40/59/33/822405933.db2.gz WGIRWIYWHBECFU-NQIIRXRSSA-N 1 0 397.567 4.086 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(-n2cncn2)cc1)c1ccc(F)c(Br)c1 ZINC000178741975 822406556 /nfs/dbraw/zinc/40/65/56/822406556.db2.gz SJFCJWUUYRELDS-LBPRGKRZSA-N 1 0 375.245 4.020 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@H](C)C(=O)N[C@@H](C)c2ccccc2)cnn1-c1ccc(F)cc1 ZINC000182994639 822407640 /nfs/dbraw/zinc/40/76/40/822407640.db2.gz YMYNTIIAHLAWTH-YESZJQIVSA-N 1 0 394.494 4.236 20 0 GIADRO C[N@H+](CCCNC(=O)c1occc1COc1ccccc1)Cc1ccccc1 ZINC000045728033 822408457 /nfs/dbraw/zinc/40/84/57/822408457.db2.gz RJTVBEIZTOYXMO-UHFFFAOYSA-N 1 0 378.472 4.111 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@@H](C)c2cccc(C3CC3)c2)cc1 ZINC000453771951 822408777 /nfs/dbraw/zinc/40/87/77/822408777.db2.gz BGXAJNZDQUYVNW-KRWDZBQOSA-N 1 0 393.531 4.222 20 0 GIADRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2cnn(-c3ccc(F)cc3)c2C)cc1 ZINC000183003220 822409407 /nfs/dbraw/zinc/40/94/07/822409407.db2.gz YVIJNNAIYWBERM-CABCVRRESA-N 1 0 396.466 4.006 20 0 GIADRO COC[C@@H]([NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)c1ccc(F)c(F)c1 ZINC000183005790 822409884 /nfs/dbraw/zinc/40/98/84/822409884.db2.gz OMPVDIGFVNIHOM-JTTJXQCZSA-N 1 0 384.467 4.078 20 0 GIADRO CC(C)CC[N@H+](CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2)C1CC1 ZINC000045751771 822410454 /nfs/dbraw/zinc/41/04/54/822410454.db2.gz MDZVLPPCJCXAMG-HXUWFJFHSA-N 1 0 386.536 4.022 20 0 GIADRO CCOc1ccccc1NC(=O)[C@H]([NH2+]CCCc1ccccn1)c1ccccc1 ZINC000178798323 822411323 /nfs/dbraw/zinc/41/13/23/822411323.db2.gz XCDZUVIKJJCYGN-HSZRJFAPSA-N 1 0 389.499 4.383 20 0 GIADRO Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H](C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000178802148 822411655 /nfs/dbraw/zinc/41/16/55/822411655.db2.gz ZZDNKEOYNJDEBI-DAYGRLMNSA-N 1 0 375.488 4.227 20 0 GIADRO CC(C)C[NH+]1CCC(NC(=O)N2CCC(Oc3ccccc3Cl)CC2)CC1 ZINC000178802320 822411759 /nfs/dbraw/zinc/41/17/59/822411759.db2.gz CNFVMUHSDQWZCZ-UHFFFAOYSA-N 1 0 393.959 4.013 20 0 GIADRO C[C@@H]([NH3+])C1CCN(C(=O)c2cc(Cl)ccc2Oc2ccc(F)cc2)CC1 ZINC000178805595 822412112 /nfs/dbraw/zinc/41/21/12/822412112.db2.gz DDCYDKDPRCPGGU-CYBMUJFWSA-N 1 0 376.859 4.471 20 0 GIADRO Cc1c(N[C@@H](C)c2cccc(OCC[NH+](C)C)c2)cccc1C(=O)N1CCCC1 ZINC000183020555 822412502 /nfs/dbraw/zinc/41/25/02/822412502.db2.gz QCKZIVCHVNYHOW-IBGZPJMESA-N 1 0 395.547 4.345 20 0 GIADRO COc1ccc(CN(C)C(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)cc1 ZINC000045780260 822412915 /nfs/dbraw/zinc/41/29/15/822412915.db2.gz DLJIELROLXGLGV-IBGZPJMESA-N 1 0 395.547 4.411 20 0 GIADRO CC(C)CCN(C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)C1CC1 ZINC000045787249 822413466 /nfs/dbraw/zinc/41/34/66/822413466.db2.gz JSBSVGANQNUHCD-KDURUIRLSA-N 1 0 387.568 4.016 20 0 GIADRO CCN(Cc1ccccc1)C(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000045787642 822413772 /nfs/dbraw/zinc/41/37/72/822413772.db2.gz UOUKPRBUXYIRCD-PMACEKPBSA-N 1 0 395.547 4.028 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CC=C(c2ccc(O)cc2)CC1 ZINC000045789632 822414054 /nfs/dbraw/zinc/41/40/54/822414054.db2.gz BAHUODNPOQTBIB-UHFFFAOYSA-N 1 0 393.531 4.231 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N(C)Cc1nc2ccccc2s1 ZINC000045790651 822414144 /nfs/dbraw/zinc/41/41/44/822414144.db2.gz MKUSLBWWDLIDAX-UHFFFAOYSA-N 1 0 396.560 4.478 20 0 GIADRO C[NH+](C)CCOc1ccc(CNC(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000045794732 822414333 /nfs/dbraw/zinc/41/43/33/822414333.db2.gz XKJXOAMSOOSHEV-UHFFFAOYSA-N 1 0 382.291 4.256 20 0 GIADRO C[C@H]([NH3+])C1CCN(C(=O)Cc2cccc(OCc3ccc(Cl)cc3)c2)CC1 ZINC000178825809 822414410 /nfs/dbraw/zinc/41/44/10/822414410.db2.gz HMMKFEWHTOTPEB-INIZCTEOSA-N 1 0 386.923 4.047 20 0 GIADRO O=C(CN1CCC(C[NH+]2CCCCCC2)CC1)Nc1ccccc1C(F)(F)F ZINC000045806964 822415232 /nfs/dbraw/zinc/41/52/32/822415232.db2.gz FQBHKWXDFAXJIE-UHFFFAOYSA-N 1 0 397.485 4.232 20 0 GIADRO O=c1[nH]c(CN2CCC(C[NH+]3CCCCCC3)CC2)nc2c3ccccc3oc21 ZINC000045806824 822415264 /nfs/dbraw/zinc/41/52/64/822415264.db2.gz ACGXUMCGZJXKSE-UHFFFAOYSA-N 1 0 394.519 4.170 20 0 GIADRO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)c(F)c1 ZINC000045813288 822415866 /nfs/dbraw/zinc/41/58/66/822415866.db2.gz SHHGMQFVEURCMA-GJZGRUSLSA-N 1 0 383.467 4.160 20 0 GIADRO O[C@H](C[NH2+]C1(c2ccc(F)cc2)CCOCC1)Cc1ccc(C(F)(F)F)cc1 ZINC000178852895 822416472 /nfs/dbraw/zinc/41/64/72/822416472.db2.gz NWHRJMHZQRJKNG-IBGZPJMESA-N 1 0 397.412 4.043 20 0 GIADRO COc1cc(-c2ccccc2)ccc1C[NH2+]CCc1nnc2n1CCCCC2 ZINC000183044819 822416913 /nfs/dbraw/zinc/41/69/13/822416913.db2.gz XHKCSCQWOZTKFR-UHFFFAOYSA-N 1 0 376.504 4.012 20 0 GIADRO C[C@H]([NH3+])C1CCN(C(=O)[C@@H](Sc2ccc(F)c(F)c2)c2ccccc2)CC1 ZINC000178861661 822417282 /nfs/dbraw/zinc/41/72/82/822417282.db2.gz UEPZVKITVLFBHL-XOBRGWDASA-N 1 0 390.499 4.384 20 0 GIADRO CNC(=O)c1cccc(C[NH2+]Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 ZINC000178876476 822418059 /nfs/dbraw/zinc/41/80/59/822418059.db2.gz UFQLLGMXNFPFQQ-UHFFFAOYSA-N 1 0 390.327 4.374 20 0 GIADRO COc1cc([C@@H](C)[NH2+]Cc2cnc3nc(C)cc(C)n23)ccc1OCC(C)C ZINC000178876535 822418191 /nfs/dbraw/zinc/41/81/91/822418191.db2.gz WFODEGQSYPYUJX-QGZVFWFLSA-N 1 0 382.508 4.240 20 0 GIADRO C[C@H](CC[NH2+][C@H]1CCCC[C@@H]1S(C)(=O)=O)c1cccc(C(F)(F)F)c1 ZINC000183060766 822418972 /nfs/dbraw/zinc/41/89/72/822418972.db2.gz VVFPHKSZSIFMQX-COXVUDFISA-N 1 0 377.472 4.144 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1cccc(OCc2cccnc2)c1 ZINC000183065980 822419620 /nfs/dbraw/zinc/41/96/20/822419620.db2.gz CDACVJJCZSVRSS-CYFREDJKSA-N 1 0 388.515 4.378 20 0 GIADRO CCc1ccc(NC(=O)C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)cc1Cl ZINC000453941525 822419909 /nfs/dbraw/zinc/41/99/09/822419909.db2.gz HRRYZMJJQHVQMY-LJQANCHMSA-N 1 0 385.895 4.029 20 0 GIADRO CCn1cc(C(=O)Nc2ccccc2N2CC[NH+](CC)CC2)c2ccccc21 ZINC000045865294 822419984 /nfs/dbraw/zinc/41/99/84/822419984.db2.gz SKDHGIVKZJCISW-UHFFFAOYSA-N 1 0 376.504 4.055 20 0 GIADRO Cc1cccc(C(C)C)c1NC(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000453978517 822420633 /nfs/dbraw/zinc/42/06/33/822420633.db2.gz JBXDLZOVHFYCRS-FQEVSTJZSA-N 1 0 379.504 4.245 20 0 GIADRO CCCN(C(=O)c1cc(-c2cc(C)sc2C)nc2onc(C)c21)[C@@H]1CC[NH2+]C1 ZINC000178910503 822421063 /nfs/dbraw/zinc/42/10/63/822421063.db2.gz CKKKHGBWOVCDFC-OAHLLOKOSA-N 1 0 398.532 4.091 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)C(=O)Nc3ccc(Cl)c(Cl)c3)ccc21 ZINC000453999413 822421767 /nfs/dbraw/zinc/42/17/67/822421767.db2.gz WNYJJGLHRKAUEH-KRWDZBQOSA-N 1 0 392.286 4.120 20 0 GIADRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000178946409 822423820 /nfs/dbraw/zinc/42/38/20/822423820.db2.gz ABFDHOVNYTWIHH-ZRBLBEILSA-N 1 0 390.527 4.006 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2cn(C)nc2C2CCCCC2)C1)CC(F)(F)F ZINC000183108974 822425672 /nfs/dbraw/zinc/42/56/72/822425672.db2.gz YOQJMPZRLVVUNM-MRXNPFEDSA-N 1 0 386.506 4.174 20 0 GIADRO O=C(C[NH+]1CCCCCC1)Nc1ccc(NC(=O)c2cc(F)ccc2F)cc1 ZINC000045941324 822425786 /nfs/dbraw/zinc/42/57/86/822425786.db2.gz VEALUEMUCLYITP-UHFFFAOYSA-N 1 0 387.430 4.032 20 0 GIADRO C[NH2+]C[C@@H]1CCN(C(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)C1 ZINC000178979151 822425829 /nfs/dbraw/zinc/42/58/29/822425829.db2.gz ZQXYIAHMVYBOSP-AWEZNQCLSA-N 1 0 378.394 4.179 20 0 GIADRO O=C(C[NH+]1CCCCCC1)Nc1ccc(NC(=O)c2ccc(F)c(F)c2)cc1 ZINC000045941817 822425940 /nfs/dbraw/zinc/42/59/40/822425940.db2.gz SUFHLZKVXYITQR-UHFFFAOYSA-N 1 0 387.430 4.032 20 0 GIADRO COc1cc(Cl)c(Cl)cc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000178987919 822426598 /nfs/dbraw/zinc/42/65/98/822426598.db2.gz UGCGRCLVMKPZAA-YVEFUNNKSA-N 1 0 383.319 4.091 20 0 GIADRO Cc1csc(C2([NH2+]C[C@H](O)CO[C@H]3CCCc4ccccc43)CCCC2)n1 ZINC000178990347 822426912 /nfs/dbraw/zinc/42/69/12/822426912.db2.gz JSAPLRLRYPKNRJ-ICSRJNTNSA-N 1 0 386.561 4.266 20 0 GIADRO Cc1cccc([C@H](C)NC(=O)C(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)c1 ZINC000454090143 822427991 /nfs/dbraw/zinc/42/79/91/822427991.db2.gz LJCXHLVKYPYBIR-IBGZPJMESA-N 1 0 393.531 4.043 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Nc2ccc(OCC#N)cc2)C1 ZINC000045977203 822428559 /nfs/dbraw/zinc/42/85/59/822428559.db2.gz DAQMWJJCEIAITO-GOSISDBHSA-N 1 0 392.503 4.143 20 0 GIADRO Cc1ccc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)c(Br)c1 ZINC000179002959 822428532 /nfs/dbraw/zinc/42/85/32/822428532.db2.gz FTQZHSRQUAPVRA-UHFFFAOYSA-N 1 0 387.321 4.283 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)c1 ZINC000045980146 822429097 /nfs/dbraw/zinc/42/90/97/822429097.db2.gz VFBOUQITDBOLCJ-KRWDZBQOSA-N 1 0 394.519 4.341 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2c(C)cccc2C)cc1 ZINC000183140459 822429840 /nfs/dbraw/zinc/42/98/40/822429840.db2.gz BBAPELHLIQUOQF-ROUUACIJSA-N 1 0 376.504 4.475 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)c3cccc(C)c3Cl)CC2)cc1 ZINC000179015522 822430119 /nfs/dbraw/zinc/43/01/19/822430119.db2.gz CNDJIRCBYYSCGV-UHFFFAOYSA-N 1 0 386.923 4.299 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(F)cc2F)cc1 ZINC000183142886 822430572 /nfs/dbraw/zinc/43/05/72/822430572.db2.gz CGNHUODZRSNYCA-UONOGXRCSA-N 1 0 384.430 4.137 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)Nc2cccc(Cn3cccn3)c2)c1 ZINC000045986520 822430592 /nfs/dbraw/zinc/43/05/92/822430592.db2.gz DAPANINFIJXSEC-UHFFFAOYSA-N 1 0 391.519 4.095 20 0 GIADRO CCOc1ccc(CN(C)C(=O)NCc2cccc(C[NH+](CC)CC)c2)cc1 ZINC000045987185 822430752 /nfs/dbraw/zinc/43/07/52/822430752.db2.gz JLGYVRVSGUXNAS-UHFFFAOYSA-N 1 0 383.536 4.269 20 0 GIADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)Nc2cccc(-n3cccc3)c2)CC1 ZINC000179028505 822431309 /nfs/dbraw/zinc/43/13/09/822431309.db2.gz WZNFJJYYKJVNDZ-SFHVURJKSA-N 1 0 389.503 4.219 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1)c1ccccc1-n1cccn1 ZINC000183158564 822433029 /nfs/dbraw/zinc/43/30/29/822433029.db2.gz OKOLATFJFMWRSS-HZPDHXFCSA-N 1 0 398.457 4.021 20 0 GIADRO O=C1C[C@@H](C[NH2+]Cc2csc(-c3cccs3)n2)CN1Cc1ccccc1 ZINC000179053890 822433635 /nfs/dbraw/zinc/43/36/35/822433635.db2.gz AOPFOTVZMQSTGK-INIZCTEOSA-N 1 0 383.542 4.010 20 0 GIADRO CN(C(=O)c1c2ccccc2nc2c1CCC/C2=C/c1ccco1)[C@H]1CC[NH2+]C1 ZINC000179054761 822433950 /nfs/dbraw/zinc/43/39/50/822433950.db2.gz BTUMIFALZWRHTL-WAIALKQBSA-N 1 0 387.483 4.139 20 0 GIADRO O=C1C[C@H](C[NH2+]Cc2ccc(OC(F)F)c(Cl)c2)CN1Cc1ccccc1 ZINC000179053950 822433955 /nfs/dbraw/zinc/43/39/55/822433955.db2.gz CDWPDHJKJZRYFH-MRXNPFEDSA-N 1 0 394.849 4.080 20 0 GIADRO C[C@H]1C[C@@H](C(F)(F)F)CCN1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000454158657 822434059 /nfs/dbraw/zinc/43/40/59/822434059.db2.gz DDXKYJJYBJJNNE-YJBOKZPZSA-N 1 0 383.458 4.155 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(SC(=O)N(C)C)c1)c1ccccc1-n1cccn1 ZINC000183164801 822434164 /nfs/dbraw/zinc/43/41/64/822434164.db2.gz ZNUKUVJCQQNXME-INIZCTEOSA-N 1 0 380.517 4.497 20 0 GIADRO C[C@@H](CNC(=O)Nc1ccc(N(C)C)cc1C(F)(F)F)[N@@H+]1CCCC[C@H]1C ZINC000046009453 822434284 /nfs/dbraw/zinc/43/42/84/822434284.db2.gz KVKRQNDYLSCNLJ-KGLIPLIRSA-N 1 0 386.462 4.156 20 0 GIADRO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)[C@@H](C)c1ccccc1 ZINC000183169893 822435037 /nfs/dbraw/zinc/43/50/37/822435037.db2.gz BZCYRAQSWITMFV-UGKGYDQZSA-N 1 0 388.515 4.381 20 0 GIADRO CC1(C)CN(C(=O)Nc2nccs2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000454176756 822436100 /nfs/dbraw/zinc/43/61/00/822436100.db2.gz XWLUXUVIRQQMET-SFHVURJKSA-N 1 0 384.549 4.298 20 0 GIADRO CCN(CC)C(=O)COc1ccc(NC2CC[NH+](C(C)(C)C)CC2)cc1Cl ZINC000183178086 822436360 /nfs/dbraw/zinc/43/63/60/822436360.db2.gz MHZIQBVTCNAXQG-UHFFFAOYSA-N 1 0 395.975 4.262 20 0 GIADRO C[C@H]([NH2+]Cc1cn2cc(Cl)ccc2n1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000179090427 822436993 /nfs/dbraw/zinc/43/69/93/822436993.db2.gz VOVPPWGSBXDNHD-KSFYIVLOSA-N 1 0 399.922 4.403 20 0 GIADRO COC(=O)c1oc(C[N@@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)cc1C ZINC000179092155 822437246 /nfs/dbraw/zinc/43/72/46/822437246.db2.gz TVCRHBHYUXRPTN-LLVKDONJSA-N 1 0 388.411 4.230 20 0 GIADRO COCc1ccccc1NC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000046033039 822437356 /nfs/dbraw/zinc/43/73/56/822437356.db2.gz RZJIXHSTZRUTPE-FQEVSTJZSA-N 1 0 387.911 4.445 20 0 GIADRO COc1ccc(NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)cc1Cl ZINC000454197786 822437831 /nfs/dbraw/zinc/43/78/31/822437831.db2.gz BLFMHTMQBHDWIU-UHFFFAOYSA-N 1 0 393.837 4.229 20 0 GIADRO CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)Nc3cc(C)cc(C)c3)CC2)cc1 ZINC000454196216 822437839 /nfs/dbraw/zinc/43/78/39/822437839.db2.gz MCEJRHJCPTWTOI-UHFFFAOYSA-N 1 0 394.519 4.048 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[C@H](C(F)(F)F)C[C@H]1C ZINC000454202113 822438369 /nfs/dbraw/zinc/43/83/69/822438369.db2.gz BVHVYKDUABHISF-QAPCUYQASA-N 1 0 385.474 4.401 20 0 GIADRO COc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@H](c2ccccc2)C2CC2)c(OC)c1 ZINC000179107714 822438849 /nfs/dbraw/zinc/43/88/49/822438849.db2.gz JNUMOYIHZQBQRV-XUZZJYLKSA-N 1 0 394.515 4.108 20 0 GIADRO CC(C)Oc1ccc([C@H](C)NC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc1 ZINC000046065560 822439109 /nfs/dbraw/zinc/43/91/09/822439109.db2.gz HEEMAWSHQYZKTH-KXBFYZLASA-N 1 0 375.538 4.198 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)NCC(C)(C)C(C)(C)O)C1CCCCC1 ZINC000454225574 822440874 /nfs/dbraw/zinc/44/08/74/822440874.db2.gz IVNSNYZWMZJELD-UHFFFAOYSA-N 1 0 375.557 4.370 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)N1CC[C@@H]2C[C@@H](O)CC[C@H]2C1)C1CCCCC1 ZINC000454233236 822441723 /nfs/dbraw/zinc/44/17/23/822441723.db2.gz WWLKPZHZXHMOBD-DXIQSLLYSA-N 1 0 399.579 4.466 20 0 GIADRO CCN(Cc1ccncc1)C(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000046123678 822442459 /nfs/dbraw/zinc/44/24/59/822442459.db2.gz NIHJPACALQQXBZ-BGYRXZFFSA-N 1 0 394.563 4.291 20 0 GIADRO C[C@@H](CCc1cccc(F)c1)[NH+]1CCC(C(=O)NCCc2cccs2)CC1 ZINC000183213592 822442712 /nfs/dbraw/zinc/44/27/12/822442712.db2.gz GYOCAUIILFJGKR-KRWDZBQOSA-N 1 0 388.552 4.279 20 0 GIADRO Cc1noc(C)c1CN(C)C(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000046123890 822442765 /nfs/dbraw/zinc/44/27/65/822442765.db2.gz FHLGEXOWKAANTL-IRXDYDNUSA-N 1 0 398.551 4.111 20 0 GIADRO CCNC(=O)C(C)(C)C[NH2+][C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000183222265 822443760 /nfs/dbraw/zinc/44/37/60/822443760.db2.gz NDWKRYBJAYLRGR-HNNXBMFYSA-N 1 0 375.513 4.079 20 0 GIADRO COc1ccccc1[C@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1ccccc1 ZINC000183230962 822444908 /nfs/dbraw/zinc/44/49/08/822444908.db2.gz OKPMIBRWZBIHQC-HXUWFJFHSA-N 1 0 378.438 4.401 20 0 GIADRO Cc1onc(-c2ccc(F)cc2)c1C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000046168523 822446336 /nfs/dbraw/zinc/44/63/36/822446336.db2.gz WXGCDYRVGISHQU-UHFFFAOYSA-N 1 0 381.451 4.041 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)c1cccc(F)c1F ZINC000183241475 822446894 /nfs/dbraw/zinc/44/68/94/822446894.db2.gz SBLOZJVORASGSM-OAGGEKHMSA-N 1 0 388.458 4.065 20 0 GIADRO COc1cccc([C@@H]2[C@H](NC(=O)[C@@H]3C[C@@H]3c3sccc3C)CC[N@@H+]2C2CC2)c1 ZINC000183241471 822446930 /nfs/dbraw/zinc/44/69/30/822446930.db2.gz AMWCMXLLSWBVPL-DOIPELPJSA-N 1 0 396.556 4.263 20 0 GIADRO Cn1ccnc1[C@@H]([NH2+]C[C@@H](c1ccccc1)N1CCc2sccc2C1)C1CC1 ZINC000183248337 822448154 /nfs/dbraw/zinc/44/81/54/822448154.db2.gz ARFDTPXXZQOQLE-UNMCSNQZSA-N 1 0 392.572 4.322 20 0 GIADRO C[C@H]([NH2+]CCc1nccn1Cc1ccccc1)c1ncc(Br)s1 ZINC000179200728 822450002 /nfs/dbraw/zinc/45/00/02/822450002.db2.gz WBFAOCSHXWQAOC-ZDUSSCGKSA-N 1 0 391.338 4.044 20 0 GIADRO C[C@H]1C[C@@H](c2cccnc2)N(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000183264144 822450585 /nfs/dbraw/zinc/45/05/85/822450585.db2.gz DSODIKWULHWVCX-UWJYYQICSA-N 1 0 398.576 4.148 20 0 GIADRO C[C@H](NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1ncc(Br)s1 ZINC000179207698 822451238 /nfs/dbraw/zinc/45/12/38/822451238.db2.gz SQWRSSZXBYWTNV-LBPRGKRZSA-N 1 0 398.345 4.360 20 0 GIADRO CC(C)Oc1ccc(CC[C@H](C)NC(=O)NC2CC[NH+](C3CCC3)CC2)cc1 ZINC000454287881 822451623 /nfs/dbraw/zinc/45/16/23/822451623.db2.gz PBNDLXIKYIVIRF-SFHVURJKSA-N 1 0 387.568 4.111 20 0 GIADRO CN(Cc1cccs1)C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000046226307 822452302 /nfs/dbraw/zinc/45/23/02/822452302.db2.gz LRASNSLCNOGOEU-SFHVURJKSA-N 1 0 377.941 4.380 20 0 GIADRO O=C(Nc1cccc(Br)c1)N1CCC([NH2+]Cc2ccccc2)CC1 ZINC000454292627 822452923 /nfs/dbraw/zinc/45/29/23/822452923.db2.gz AISLDQWZJBYHNS-UHFFFAOYSA-N 1 0 388.309 4.235 20 0 GIADRO C[C@H](NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ncc(Br)s1 ZINC000179223941 822453559 /nfs/dbraw/zinc/45/35/59/822453559.db2.gz BKDFYRPNRABAKG-HOCLYGCPSA-N 1 0 394.382 4.121 20 0 GIADRO C[C@H]([NH2+]Cc1cc(Br)ccc1OC(F)F)c1cccc(CO)c1 ZINC000183291725 822453972 /nfs/dbraw/zinc/45/39/72/822453972.db2.gz OAZICUOFRDXAJP-NSHDSACASA-N 1 0 386.236 4.394 20 0 GIADRO C[N@H+](CCCCNC(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1)C1CC1 ZINC000454300412 822454298 /nfs/dbraw/zinc/45/42/98/822454298.db2.gz YQBUFDWVBHGSKR-UHFFFAOYSA-N 1 0 394.491 4.008 20 0 GIADRO O=C(N[C@@H](c1ccc(F)c(Cl)c1)C1CC1)NC1CC[NH+](CC2CC2)CC1 ZINC000454306650 822455326 /nfs/dbraw/zinc/45/53/26/822455326.db2.gz SUSQBDMGPHVXJB-LJQANCHMSA-N 1 0 379.907 4.104 20 0 GIADRO COc1ccc(CC[NH2+][C@@H](C)c2ncc(Br)s2)c(Cl)c1 ZINC000179239790 822455974 /nfs/dbraw/zinc/45/59/74/822455974.db2.gz PVRZHBGJWFXJPJ-VIFPVBQESA-N 1 0 375.719 4.461 20 0 GIADRO CCO[C@@H]1CCN(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)C[C@H]1C ZINC000454323398 822458064 /nfs/dbraw/zinc/45/80/64/822458064.db2.gz UUGKBXQLEVEMLJ-WOIUINJBSA-N 1 0 387.568 4.018 20 0 GIADRO C[N@@H+]1CC[C@@H](NC(=O)N(Cc2ccco2)Cc2cccs2)[C@@H]1c1ccccc1 ZINC000179264672 822458957 /nfs/dbraw/zinc/45/89/57/822458957.db2.gz OCWLRKULXDGRGV-RTWAWAEBSA-N 1 0 395.528 4.498 20 0 GIADRO C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc(N2CCOC2=O)cc1 ZINC000183333420 822460205 /nfs/dbraw/zinc/46/02/05/822460205.db2.gz LDLCBMSWYCGWMQ-YJBOKZPZSA-N 1 0 385.895 4.226 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1)c1ncc(Br)s1 ZINC000183333642 822460275 /nfs/dbraw/zinc/46/02/75/822460275.db2.gz FLNBIFSQMRYYCT-CMPLNLGQSA-N 1 0 386.746 4.489 20 0 GIADRO CC(C)C(=O)Nc1ccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000046320735 822461307 /nfs/dbraw/zinc/46/13/07/822461307.db2.gz MIWPPQXEKLLIKT-UHFFFAOYSA-N 1 0 393.531 4.197 20 0 GIADRO CO[C@@H]1CCN(C(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)C[C@H]1C ZINC000454364357 822462535 /nfs/dbraw/zinc/46/25/35/822462535.db2.gz MRKGKCVCRBEMHF-XMSQKQJNSA-N 1 0 387.568 4.018 20 0 GIADRO COc1cccc([C@@H](CNC(=O)c2ccc([C@H](C)C(F)(F)F)cc2)[NH+](C)C)c1 ZINC000454364320 822462585 /nfs/dbraw/zinc/46/25/85/822462585.db2.gz CTYQYGCYBHNFQT-IFXJQAMLSA-N 1 0 394.437 4.394 20 0 GIADRO C[C@@H](NC(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1cccc(F)c1F ZINC000179298729 822462634 /nfs/dbraw/zinc/46/26/34/822462634.db2.gz QZEQXJXZZMYRLY-MRXNPFEDSA-N 1 0 387.474 4.032 20 0 GIADRO CCC[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCO[C@H](CC)C3)cc2Cl)CC1 ZINC000183356924 822463083 /nfs/dbraw/zinc/46/30/83/822463083.db2.gz JZFTUCJTZQKEFY-FUHWJXTLSA-N 1 0 393.959 4.016 20 0 GIADRO COc1cc(OC)c(NC(=O)C[NH2+][C@@H](C)[C@H](C)c2ccccc2)cc1Cl ZINC000183356960 822463151 /nfs/dbraw/zinc/46/31/51/822463151.db2.gz RLDIMUXAAWIHQJ-KBPBESRZSA-N 1 0 376.884 4.078 20 0 GIADRO Clc1ccc(Cl)c(-c2csc(C[NH2+][C@H]3CCc4n[nH]cc4C3)n2)c1 ZINC000179305160 822463471 /nfs/dbraw/zinc/46/34/71/822463471.db2.gz CSHPSKSLFYGICA-LBPRGKRZSA-N 1 0 379.316 4.487 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[C@@H](C)c1ccccc1 ZINC000183374187 822465548 /nfs/dbraw/zinc/46/55/48/822465548.db2.gz TYRMHBAWQRHWSM-MCIONIFRSA-N 1 0 375.856 4.357 20 0 GIADRO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)[NH2+][C@H](C)c1ccccn1 ZINC000183376417 822465800 /nfs/dbraw/zinc/46/58/00/822465800.db2.gz OBDYCPIFVFQBER-TZMCWYRMSA-N 1 0 389.521 4.005 20 0 GIADRO Cc1cc(C[NH2+]C(C)(C)c2ccccc2Br)ccc1-n1cncn1 ZINC000179328539 822466957 /nfs/dbraw/zinc/46/69/57/822466957.db2.gz LSTLAQHQXCHHRO-UHFFFAOYSA-N 1 0 385.309 4.363 20 0 GIADRO Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000183405879 822469110 /nfs/dbraw/zinc/46/91/10/822469110.db2.gz BLCCMWKQEIBRIP-ZKMPZPQNSA-N 1 0 394.559 4.126 20 0 GIADRO Brc1ccc(-c2nnc(C[NH2+][C@H](Cc3ccccc3)C3CC3)o2)o1 ZINC000183409417 822470048 /nfs/dbraw/zinc/47/00/48/822470048.db2.gz KBSVGYODTYHKLB-CQSZACIVSA-N 1 0 388.265 4.203 20 0 GIADRO Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000046403683 822470438 /nfs/dbraw/zinc/47/04/38/822470438.db2.gz HPXQSNSOPRBUNA-UHFFFAOYSA-N 1 0 390.487 4.044 20 0 GIADRO CCCCOc1ccc(OC)cc1NC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000454409869 822470810 /nfs/dbraw/zinc/47/08/10/822470810.db2.gz SJNDZWZUHRQPGT-UHFFFAOYSA-N 1 0 375.513 4.013 20 0 GIADRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000454415621 822471878 /nfs/dbraw/zinc/47/18/78/822471878.db2.gz SYEGRFPDQXMWDG-YLJYHZDGSA-N 1 0 399.560 4.490 20 0 GIADRO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000454423380 822473237 /nfs/dbraw/zinc/47/32/37/822473237.db2.gz DAOYJKVTEWYYFR-UNMCSNQZSA-N 1 0 393.531 4.081 20 0 GIADRO C[NH+](C)CCCOc1ccc(CNC(=O)N2CC3(CCC3)[C@H]2c2ccco2)cc1 ZINC000454423443 822473257 /nfs/dbraw/zinc/47/32/57/822473257.db2.gz DQCUJZAAGQTPRG-OAQYLSRUSA-N 1 0 397.519 4.047 20 0 GIADRO C[C@@H]([NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)c1nc(Cc2ccccc2)no1 ZINC000179376774 822473577 /nfs/dbraw/zinc/47/35/77/822473577.db2.gz VREHLLZIXXYLSD-FAEJEUNOSA-N 1 0 385.508 4.212 20 0 GIADRO Cc1c([C@H](C)[NH2+]CC(=O)Nc2ccccc2Oc2ccc(C)cc2)cnn1C ZINC000183437956 822474898 /nfs/dbraw/zinc/47/48/98/822474898.db2.gz GJBRYAPXXIGSNV-INIZCTEOSA-N 1 0 378.476 4.119 20 0 GIADRO CCCCSc1ccc(Cl)cc1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000183438447 822474940 /nfs/dbraw/zinc/47/49/40/822474940.db2.gz SQVCROGIGGDNSL-UHFFFAOYSA-N 1 0 380.945 4.243 20 0 GIADRO C[C@H](NC(=O)Nc1cccc(COCC2CC2)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183441532 822475326 /nfs/dbraw/zinc/47/53/26/822475326.db2.gz FWCBPJFWOOQKBU-PXNSSMCTSA-N 1 0 385.552 4.388 20 0 GIADRO COc1cc(-c2ccccc2)ccc1C[N@@H+]1CCC[C@@H]([C@H](O)c2nccn2C)C1 ZINC000183449359 822476585 /nfs/dbraw/zinc/47/65/85/822476585.db2.gz NWAZBEQAQJDWFH-GGAORHGYSA-N 1 0 391.515 4.041 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1cc2c(cc1Br)OCCO2)c1ccccc1O ZINC000183458107 822477893 /nfs/dbraw/zinc/47/78/93/822477893.db2.gz RYMQVQDRYOKPAO-VXGBXAGGSA-N 1 0 378.266 4.338 20 0 GIADRO Cc1c([C@@H](C)[NH2+]CC(=O)Nc2ccc(Oc3ccccc3Cl)cc2)cnn1C ZINC000183461937 822478728 /nfs/dbraw/zinc/47/87/28/822478728.db2.gz GIGATGDOANPHJO-CQSZACIVSA-N 1 0 398.894 4.464 20 0 GIADRO Cc1cc2ncc([C@@H](C)[NH2+]CCCC(=O)Nc3ccc(Cl)cc3)c(C)n2n1 ZINC000179412535 822479121 /nfs/dbraw/zinc/47/91/21/822479121.db2.gz MDPQGBBDZDARPD-CQSZACIVSA-N 1 0 385.899 4.069 20 0 GIADRO C[C@H](NC(=O)NCCCCC[NH+]1CCCC1)c1nc(-c2ccccc2)cs1 ZINC000454464343 822479647 /nfs/dbraw/zinc/47/96/47/822479647.db2.gz PYOJOCUDBJVDCQ-KRWDZBQOSA-N 1 0 386.565 4.436 20 0 GIADRO CC[C@H]1C[N@H+](CC)CCN1C(=O)Nc1ccccc1COCc1ccccc1 ZINC000454472696 822480646 /nfs/dbraw/zinc/48/06/46/822480646.db2.gz AVTUUIAVQIBSBR-NRFANRHFSA-N 1 0 381.520 4.351 20 0 GIADRO Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)NCCCC[N@@H+](C)C1CC1 ZINC000454485875 822482961 /nfs/dbraw/zinc/48/29/61/822482961.db2.gz ITZNXHSDFKVILJ-UHFFFAOYSA-N 1 0 394.519 4.243 20 0 GIADRO Cc1nn(C)c(C)c1CCC[NH2+][C@@H]1CCc2c1c(Br)ccc2F ZINC000183483617 822483221 /nfs/dbraw/zinc/48/32/21/822483221.db2.gz PMWMENUXWVHBDP-QGZVFWFLSA-N 1 0 380.305 4.148 20 0 GIADRO Cc1ccc(NC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1OC(F)F ZINC000183483611 822483230 /nfs/dbraw/zinc/48/32/30/822483230.db2.gz QDGIWSRDOIHOMZ-LSDHHAIUSA-N 1 0 381.467 4.371 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)Nc2ccc3ccn(CCOC)c3c2)c1 ZINC000179446063 822484106 /nfs/dbraw/zinc/48/41/06/822484106.db2.gz FFSWSPOXZXUDML-UHFFFAOYSA-N 1 0 394.519 4.061 20 0 GIADRO Cc1cnn(-c2ccc(NC(=O)N[C@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)cc2F)c1 ZINC000183488140 822484218 /nfs/dbraw/zinc/48/42/18/822484218.db2.gz AADUNJWUTDHRRI-SJORKVTESA-N 1 0 399.514 4.094 20 0 GIADRO CCOc1cc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)ccc1OC ZINC000454498730 822485540 /nfs/dbraw/zinc/48/55/40/822485540.db2.gz HYDIZNRYTMYXQJ-SFHVURJKSA-N 1 0 397.519 4.080 20 0 GIADRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]CCc2nc(C(C)(C)C)cs2)CC1 ZINC000183497864 822486290 /nfs/dbraw/zinc/48/62/90/822486290.db2.gz OYMPYSQMWYEAIL-HNNXBMFYSA-N 1 0 381.586 4.362 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cnc(-c2ccccc2)s1 ZINC000046565531 822486645 /nfs/dbraw/zinc/48/66/45/822486645.db2.gz CZJBFCXWZLBMPO-UHFFFAOYSA-N 1 0 392.528 4.123 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)s1 ZINC000183510988 822487823 /nfs/dbraw/zinc/48/78/23/822487823.db2.gz IJAHLFMOWOZGOH-BJOOFOGMSA-N 1 0 380.941 4.475 20 0 GIADRO CC[C@@H](C)[NH+]1CCN(C(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)CC1 ZINC000454515349 822488752 /nfs/dbraw/zinc/48/87/52/822488752.db2.gz GMRBOKSFKNOHQK-MRXNPFEDSA-N 1 0 398.482 4.026 20 0 GIADRO C[C@@H](NC(=O)Nc1cc(F)ccc1OC(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183520326 822489269 /nfs/dbraw/zinc/48/92/69/822489269.db2.gz CUSKHFHWSBGFQA-OLZOCXBDSA-N 1 0 385.430 4.202 20 0 GIADRO C[C@@H](NC(=O)Nc1ccccc1OCC(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183522440 822489489 /nfs/dbraw/zinc/48/94/89/822489489.db2.gz OWBISOQLCOXMIO-HUUCEWRRSA-N 1 0 381.467 4.105 20 0 GIADRO C[NH+](C)CCOc1ccccc1CN[C@@H](c1ccccc1)c1ccc(F)cn1 ZINC000183526603 822489780 /nfs/dbraw/zinc/48/97/80/822489780.db2.gz JFFFNKXQDBTPLP-QHCPKHFHSA-N 1 0 379.479 4.040 20 0 GIADRO C[NH+](C)CCN(Cc1ccco1)C(=O)Nc1ccc(COc2ccccc2)cc1 ZINC000179488857 822490029 /nfs/dbraw/zinc/49/00/29/822490029.db2.gz NUQBPYTVDHLLPW-UHFFFAOYSA-N 1 0 393.487 4.454 20 0 GIADRO C[C@@H]([NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1)c1cccc(Br)c1 ZINC000179495426 822490886 /nfs/dbraw/zinc/49/08/86/822490886.db2.gz FTMJRMCSBIZPEK-NVXWUHKLSA-N 1 0 387.321 4.148 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCCN(Cc3ccccc3)C2=O)cc1 ZINC000179495938 822490970 /nfs/dbraw/zinc/49/09/70/822490970.db2.gz MFOVERJEXBHLBH-JPYJTQIMSA-N 1 0 388.515 4.023 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@@H]2CSc3ccccc32)CC1 ZINC000454522844 822491002 /nfs/dbraw/zinc/49/10/02/822491002.db2.gz RCBQNNVKPSWMPP-PKOBYXMFSA-N 1 0 395.572 4.401 20 0 GIADRO C/C(=C\c1ccc(Cl)cc1)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000179499856 822492070 /nfs/dbraw/zinc/49/20/70/822492070.db2.gz DQCAOXRNAJDDOV-IWLLYFRBSA-N 1 0 383.923 4.480 20 0 GIADRO C[C@H](NC(=O)Nc1ccc2[nH]c(C(F)F)nc2c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183540349 822492191 /nfs/dbraw/zinc/49/21/91/822492191.db2.gz BCWRDUHNYRZTCI-QWHCGFSZSA-N 1 0 391.466 4.275 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2F)C1)c1cccc(N2CCOC2=O)c1 ZINC000179500677 822492336 /nfs/dbraw/zinc/49/23/36/822492336.db2.gz LVBXWTAJQNPOJP-SJLPKXTDSA-N 1 0 383.467 4.102 20 0 GIADRO C[C@H](NC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)c1ccc(OC(F)F)cc1 ZINC000046612965 822492542 /nfs/dbraw/zinc/49/25/42/822492542.db2.gz YJZPODYCECBQKW-HOTGVXAUSA-N 1 0 383.483 4.160 20 0 GIADRO COc1ccc(CNC(=O)[C@H](C)[NH2+][C@@H](C)c2oc3ccccc3c2C)cc1OC ZINC000183545352 822492874 /nfs/dbraw/zinc/49/28/74/822492874.db2.gz HLZSFMMPIRTJMD-HOTGVXAUSA-N 1 0 396.487 4.114 20 0 GIADRO COc1ccc(C[C@@H](C)C[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)cc1OC ZINC000179507094 822492940 /nfs/dbraw/zinc/49/29/40/822492940.db2.gz CGCONZASLPQSBJ-SJORKVTESA-N 1 0 398.503 4.190 20 0 GIADRO COc1cc(C)c([C@H](C)NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)cc1OC ZINC000046615461 822493167 /nfs/dbraw/zinc/49/31/67/822493167.db2.gz STXUJLBDAXRCBT-ROUUACIJSA-N 1 0 391.556 4.027 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)Cn1ncc2ccccc2c1=O)c1ccc(OC(F)(F)F)cc1 ZINC000179514150 822494285 /nfs/dbraw/zinc/49/42/85/822494285.db2.gz RFWHWFIPFUWESC-UONOGXRCSA-N 1 0 391.393 4.034 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@@H](C)Cn2ncc3ccccc3c2=O)c2ccccc12 ZINC000179515461 822494608 /nfs/dbraw/zinc/49/46/08/822494608.db2.gz JKXYSEYLOFHGOA-DLBZAZTESA-N 1 0 387.483 4.298 20 0 GIADRO CC(C)COc1ccc([C@@H](C)[NH2+][C@@H](C)Cn2ncc3ccccc3c2=O)cc1 ZINC000179515531 822494624 /nfs/dbraw/zinc/49/46/24/822494624.db2.gz MQADUBHVTSWHDQ-ZWKOTPCHSA-N 1 0 379.504 4.171 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)Cn1ncc2ccccc2c1=O)c1ccc(Cl)c(Cl)c1 ZINC000179517355 822495250 /nfs/dbraw/zinc/49/52/50/822495250.db2.gz POZPARFHTZBFNG-QWHCGFSZSA-N 1 0 376.287 4.443 20 0 GIADRO C[NH+](C)CCN(C(=O)c1csc(-c2ccc(F)c(F)c2)n1)c1ccccc1 ZINC000183563691 822495385 /nfs/dbraw/zinc/49/53/85/822495385.db2.gz PNOXCPAEOLPJNT-UHFFFAOYSA-N 1 0 387.455 4.297 20 0 GIADRO C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H](C)c1cccc(Cl)c1Cl ZINC000179517553 822495594 /nfs/dbraw/zinc/49/55/94/822495594.db2.gz JHOWCGZKBHFPPX-STQMWFEESA-N 1 0 376.287 4.443 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)c2cnc3ccc(F)cc3c2)CC[N@@H+]1Cc1ccccc1 ZINC000179521447 822496357 /nfs/dbraw/zinc/49/63/57/822496357.db2.gz RUGDVKHZOFAPDF-JTSKRJEESA-N 1 0 391.490 4.499 20 0 GIADRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2oc3ccccc3c2C)c(OC)c1 ZINC000183573570 822496428 /nfs/dbraw/zinc/49/64/28/822496428.db2.gz NNDUIOVDTRGGDV-CABCVRRESA-N 1 0 382.460 4.436 20 0 GIADRO CCOCc1ccccc1CNC(=O)C[NH2+][C@H](C)c1oc2ccccc2c1C ZINC000183576910 822496682 /nfs/dbraw/zinc/49/66/82/822496682.db2.gz ABOGXLDWFXTSPC-QGZVFWFLSA-N 1 0 380.488 4.245 20 0 GIADRO Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000179526863 822497241 /nfs/dbraw/zinc/49/72/41/822497241.db2.gz HCGPVKMKNJGANW-SECBINFHSA-N 1 0 376.220 4.361 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccc(Cl)cc1)c1cccc(-n2cccn2)c1 ZINC000183585811 822497769 /nfs/dbraw/zinc/49/77/69/822497769.db2.gz RLMXQXIGAWAWGC-CVEARBPZSA-N 1 0 382.895 4.054 20 0 GIADRO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[NH2+][C@@H](C)c1cccc(-n2cccn2)c1 ZINC000183588260 822497999 /nfs/dbraw/zinc/49/79/99/822497999.db2.gz IJOYHKDDAGCTJL-JKSUJKDBSA-N 1 0 398.457 4.021 20 0 GIADRO COc1cc(Cl)c(C)cc1NC(=O)C[NH2+][C@H](C)c1cccc(-n2cccn2)c1 ZINC000183600814 822499798 /nfs/dbraw/zinc/49/97/98/822499798.db2.gz BVEUVQUPKSAGJW-OAHLLOKOSA-N 1 0 398.894 4.132 20 0 GIADRO Cc1cc(Sc2ncccn2)ccc1NC(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000183602941 822499947 /nfs/dbraw/zinc/49/99/47/822499947.db2.gz RBPNMOQNQPPTGZ-QGZVFWFLSA-N 1 0 399.564 4.322 20 0 GIADRO C[C@@H](OC[C@H](O)C[NH2+][C@@H](C)c1cccc(-n2cccn2)c1)c1ccc(Cl)cc1 ZINC000183603464 822500113 /nfs/dbraw/zinc/50/01/13/822500113.db2.gz NNZIUBISIVAVAO-GSHUGGBRSA-N 1 0 399.922 4.315 20 0 GIADRO CCC[C@H]1C[C@@H](C(=O)Nc2cc(C[NH+]3CCSCC3)ccc2C)CCO1 ZINC000183616651 822501948 /nfs/dbraw/zinc/50/19/48/822501948.db2.gz LDJXTRZQKPWGQN-OALUTQOASA-N 1 0 376.566 4.078 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@@H](C)c2cccc(F)c2F)c1 ZINC000179558992 822503471 /nfs/dbraw/zinc/50/34/71/822503471.db2.gz NREBXCAGFKGYIX-STQMWFEESA-N 1 0 378.419 4.050 20 0 GIADRO COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H](C)c2cccc(F)c2F)c(OC)c1 ZINC000179558531 822503519 /nfs/dbraw/zinc/50/35/19/822503519.db2.gz HRXLUWNAYWRQLQ-CHWSQXEVSA-N 1 0 378.419 4.050 20 0 GIADRO C#CC[NH+]1CCC(C(=O)Nc2ccc(Br)c(Cl)c2Cl)CC1 ZINC000183632678 822504104 /nfs/dbraw/zinc/50/41/04/822504104.db2.gz NJYDMAAXXDCQNV-UHFFFAOYSA-N 1 0 390.108 4.040 20 0 GIADRO Cc1c(Br)cccc1C[NH2+][C@@H](CN1CCCC1=O)c1ccccc1 ZINC000179563809 822504067 /nfs/dbraw/zinc/50/40/67/822504067.db2.gz BODSWEOCVPTLAE-IBGZPJMESA-N 1 0 387.321 4.211 20 0 GIADRO Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000046681370 822504421 /nfs/dbraw/zinc/50/44/21/822504421.db2.gz MXKOMWPRTBDVGQ-UHFFFAOYSA-N 1 0 382.552 4.323 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@H]1CCCCC1(F)F ZINC000454610392 822505813 /nfs/dbraw/zinc/50/58/13/822505813.db2.gz JEAIQQIODFVAFH-BHIYHBOVSA-N 1 0 379.495 4.022 20 0 GIADRO Cc1nc(C(F)(F)F)c(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)s1 ZINC000183646016 822505840 /nfs/dbraw/zinc/50/58/40/822505840.db2.gz WVIPOCSYUNUHGB-INIZCTEOSA-N 1 0 384.423 4.482 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000454615135 822506537 /nfs/dbraw/zinc/50/65/37/822506537.db2.gz LKGRKYFANGFHKU-UZKOGDIHSA-N 1 0 393.531 4.427 20 0 GIADRO C[C@@H](NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(OC(F)F)c1)c1ccc(F)cc1 ZINC000179584100 822507032 /nfs/dbraw/zinc/50/70/32/822507032.db2.gz QCSDKWQSPAZVOX-RDBSUJKOSA-N 1 0 380.410 4.344 20 0 GIADRO CC(=O)c1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc(OC(F)F)c2)cc1 ZINC000179585938 822507168 /nfs/dbraw/zinc/50/71/68/822507168.db2.gz JEBGJYUUGUFDAH-QWHCGFSZSA-N 1 0 376.403 4.168 20 0 GIADRO CC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2cccc(OC(F)F)c2)cc1 ZINC000179585927 822507281 /nfs/dbraw/zinc/50/72/81/822507281.db2.gz JEBGJYUUGUFDAH-OLZOCXBDSA-N 1 0 376.403 4.168 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CCO[C@@H](c2cccs2)C1)CC(C)C ZINC000454619853 822507585 /nfs/dbraw/zinc/50/75/85/822507585.db2.gz NTIWPNJHDIJSTH-FGTMMUONSA-N 1 0 381.586 4.024 20 0 GIADRO Cc1ccc(Oc2ccccc2NC(=O)C[NH2+][C@H](CO)c2ccccc2)cc1 ZINC000183663127 822507667 /nfs/dbraw/zinc/50/76/67/822507667.db2.gz PKPATXGTDUDHMY-OAQYLSRUSA-N 1 0 376.456 4.049 20 0 GIADRO CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+][C@H](C)c2cccc(Cl)c2)C1 ZINC000183667380 822508201 /nfs/dbraw/zinc/50/82/01/822508201.db2.gz AIRCWZZZSHUNMZ-CQSZACIVSA-N 1 0 381.900 4.043 20 0 GIADRO CCOc1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000179593505 822508812 /nfs/dbraw/zinc/50/88/12/822508812.db2.gz COMQWKZCZRVITL-ZIAGYGMSSA-N 1 0 378.419 4.365 20 0 GIADRO COc1ccc(C)cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000179594968 822509406 /nfs/dbraw/zinc/50/94/06/822509406.db2.gz BKZRKVFYBVCDBQ-ZIAGYGMSSA-N 1 0 378.419 4.283 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Nc1cn(-c2ccccc2)nc1C ZINC000183678531 822510120 /nfs/dbraw/zinc/51/01/20/822510120.db2.gz KGWPPANQZXVPOT-UHFFFAOYSA-N 1 0 391.519 4.296 20 0 GIADRO COCc1cc([C@@H](C)[NH2+][C@@H](CC(C)C)C(=O)Nc2nccs2)ccc1OC ZINC000179601111 822510458 /nfs/dbraw/zinc/51/04/58/822510458.db2.gz LHXVQRADVLYTBZ-PBHICJAKSA-N 1 0 391.537 4.002 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000183682847 822510678 /nfs/dbraw/zinc/51/06/78/822510678.db2.gz UAOIITRDYQSQDI-WMZOPIPTSA-N 1 0 384.524 4.088 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000046750661 822512833 /nfs/dbraw/zinc/51/28/33/822512833.db2.gz QLEQCNZJYXKSPK-GOSISDBHSA-N 1 0 397.567 4.107 20 0 GIADRO C[C@H]1CCC[N@H+](CCCCNC(=O)N(C)Cc2ccccc2Br)C1 ZINC000046752861 822513284 /nfs/dbraw/zinc/51/32/84/822513284.db2.gz UXNFWVHNLFLYNS-INIZCTEOSA-N 1 0 396.373 4.103 20 0 GIADRO O=C(NC[C@H]1CCCCC1(F)F)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000454664534 822514239 /nfs/dbraw/zinc/51/42/39/822514239.db2.gz VOGZJRGCZLRPIY-QGZVFWFLSA-N 1 0 397.535 4.225 20 0 GIADRO CCN(CC)C(=O)CCC[NH2+][C@@H](c1ccco1)c1ccc(Br)cc1 ZINC000183706483 822514718 /nfs/dbraw/zinc/51/47/18/822514718.db2.gz OAWTWYDJPCIPOJ-LJQANCHMSA-N 1 0 393.325 4.370 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2nc(-c3cccc(C(F)(F)F)c3)oc2C)C1 ZINC000183707252 822514734 /nfs/dbraw/zinc/51/47/34/822514734.db2.gz NHLUKAGGGKQWTD-CQSZACIVSA-N 1 0 395.425 4.083 20 0 GIADRO COc1cc(C)c([C@@H](C)[NH2+]CC(=O)Nc2ccc(F)cc2Cl)cc1OC ZINC000179631600 822516220 /nfs/dbraw/zinc/51/62/20/822516220.db2.gz IJBZQSBVANEIPF-GFCCVEGCSA-N 1 0 380.847 4.094 20 0 GIADRO CN1CCC[C@@H](C[NH2+]Cc2cncc(Br)c2)[C@@H]1c1cccs1 ZINC000183719211 822516362 /nfs/dbraw/zinc/51/63/62/822516362.db2.gz JGVOWNQYJMRUBJ-WMLDXEAASA-N 1 0 380.355 4.078 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CC(=O)NCc1ccc(F)cc1 ZINC000183720926 822516610 /nfs/dbraw/zinc/51/66/10/822516610.db2.gz GJEKUIGIRHLVNQ-CQSZACIVSA-N 1 0 383.492 4.225 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)Nc2cccc(-c3ccc4c(c3)CCO4)c2)CC[N@@H+]1C ZINC000179637813 822517408 /nfs/dbraw/zinc/51/74/08/822517408.db2.gz WSGUPOCUKAQKIU-HRAATJIYSA-N 1 0 379.504 4.235 20 0 GIADRO Cc1cc2cc(C(=O)N3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)oc2c(Br)c1 ZINC000183731272 822517871 /nfs/dbraw/zinc/51/78/71/822517871.db2.gz KZWTVGBYGZYZFM-CZUORRHYSA-N 1 0 391.309 4.060 20 0 GIADRO Cc1cc2cc(C(=O)N3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)oc2c(Br)c1 ZINC000183731334 822517959 /nfs/dbraw/zinc/51/79/59/822517959.db2.gz KZWTVGBYGZYZFM-BBRMVZONSA-N 1 0 391.309 4.060 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(N2CCOC2=O)cc1)c1ccccc1OC(F)(F)F ZINC000183734329 822518630 /nfs/dbraw/zinc/51/86/30/822518630.db2.gz VCZBXWWQVWBYCJ-CYBMUJFWSA-N 1 0 380.366 4.393 20 0 GIADRO C[C@H]1CCc2ccccc2[C@@H]1NC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000179646542 822519171 /nfs/dbraw/zinc/51/91/71/822519171.db2.gz DBDATFYUTDAHQX-HTAPYJJXSA-N 1 0 381.520 4.209 20 0 GIADRO CCOc1cc(C[NH2+][C@@H](C)c2cccc(C)c2C)nc2nc(C(F)(F)F)nn21 ZINC000183739814 822519832 /nfs/dbraw/zinc/51/98/32/822519832.db2.gz ZEUYTDCKTRTXSL-ZDUSSCGKSA-N 1 0 393.413 4.009 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CC(=O)Nc1cccnc1Cl ZINC000183739998 822520090 /nfs/dbraw/zinc/52/00/90/822520090.db2.gz ZFSSJLCFTONEAR-LBPRGKRZSA-N 1 0 386.908 4.456 20 0 GIADRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000046817776 822520969 /nfs/dbraw/zinc/52/09/69/822520969.db2.gz BBCRFGWJGMHCLV-QWHCGFSZSA-N 1 0 382.382 4.272 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000183745044 822521060 /nfs/dbraw/zinc/52/10/60/822521060.db2.gz XMAHVXMREHQIQZ-FZKQIMNGSA-N 1 0 383.473 4.411 20 0 GIADRO CC(C)CN(C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C1CC1 ZINC000179655369 822521224 /nfs/dbraw/zinc/52/12/24/822521224.db2.gz JXBRNBWBDBONBF-DNVCBOLYSA-N 1 0 381.923 4.302 20 0 GIADRO CCN(Cc1cnc2c(cnn2C(C)C)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000183749474 822521696 /nfs/dbraw/zinc/52/16/96/822521696.db2.gz YUGYFIPCUQSGJT-JOCHJYFZSA-N 1 0 377.536 4.109 20 0 GIADRO CC[C@@H]1CN(Cc2nnc(Cc3ccccc3C)o2)CC[N@@H+]1Cc1ccccc1 ZINC000183748429 822521809 /nfs/dbraw/zinc/52/18/09/822521809.db2.gz UDZYESDRCWSEOC-JOCHJYFZSA-N 1 0 390.531 4.065 20 0 GIADRO CCN(Cc1nnc(-c2ccc(Cl)cc2)o1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000183752212 822522442 /nfs/dbraw/zinc/52/24/42/822522442.db2.gz QZFJWCYUCKEDQZ-FQEVSTJZSA-N 1 0 396.922 4.486 20 0 GIADRO Fc1cc([C@@H]2OCC[C@H]2[NH2+]Cc2cncc(Br)c2)ccc1Cl ZINC000183761421 822524060 /nfs/dbraw/zinc/52/40/60/822524060.db2.gz BQABWGZVJHQOGJ-CVEARBPZSA-N 1 0 385.664 4.256 20 0 GIADRO CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2cccc(Cl)c2Cl)cc1 ZINC000183767065 822525247 /nfs/dbraw/zinc/52/52/47/822525247.db2.gz ZESKDVNLICRONL-WFASDCNBSA-N 1 0 397.302 4.042 20 0 GIADRO CCN(Cc1ccc(C(=O)N2CCCC2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000183767667 822525521 /nfs/dbraw/zinc/52/55/21/822525521.db2.gz KKTWDSJNODJEFK-XMMPIXPASA-N 1 0 391.559 4.019 20 0 GIADRO CSc1ccc([C@@H](CNC(=O)Nc2cc(F)c(F)cc2F)[NH+](C)C)cc1 ZINC000454738266 822525783 /nfs/dbraw/zinc/52/57/83/822525783.db2.gz LFDNGJWWLXKFGS-QGZVFWFLSA-N 1 0 383.439 4.250 20 0 GIADRO COc1cc(CNc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)ccc1SC ZINC000183776918 822526880 /nfs/dbraw/zinc/52/68/80/822526880.db2.gz NTMBWEJKMQDTKY-UHFFFAOYSA-N 1 0 387.549 4.228 20 0 GIADRO Cc1ccc(NCc2ccc(Br)s2)cc1NC(=O)CC[NH+](C)C ZINC000183780767 822527656 /nfs/dbraw/zinc/52/76/56/822527656.db2.gz WPXSWISQIZWWNX-UHFFFAOYSA-N 1 0 396.354 4.321 20 0 GIADRO Cc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2cccc(OCc3ccccn3)c2)cc1 ZINC000179688357 822527817 /nfs/dbraw/zinc/52/78/17/822527817.db2.gz HCHPQLVWWKQHPY-UGKGYDQZSA-N 1 0 392.499 4.060 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1F)c1cccc(OCc2ccccn2)c1 ZINC000179688898 822528021 /nfs/dbraw/zinc/52/80/21/822528021.db2.gz OASIUMJHWKEHAD-MRXNPFEDSA-N 1 0 379.435 4.089 20 0 GIADRO C[C@H]([NH2+]CC(=O)N[C@@H]1CCCC[C@@H]1C)c1cccc(OCc2ccccn2)c1 ZINC000179692626 822528415 /nfs/dbraw/zinc/52/84/15/822528415.db2.gz WUBWFCDUNJWIKJ-NPPFBWRTSA-N 1 0 381.520 4.006 20 0 GIADRO COC(=O)c1ccc(C[NH2+][C@@H](C)c2cccc(OCc3ccccn3)c2)s1 ZINC000179693746 822528940 /nfs/dbraw/zinc/52/89/40/822528940.db2.gz IYPUQSYUWSDPOM-HNNXBMFYSA-N 1 0 382.485 4.360 20 0 GIADRO C[C@@H](NC(=O)N(C)Cc1c(F)cccc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000454763688 822529807 /nfs/dbraw/zinc/52/98/07/822529807.db2.gz HGEQJNMVHVCZJB-AEFFLSMTSA-N 1 0 387.474 4.017 20 0 GIADRO CSCC1CCC(NC(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000454767511 822530294 /nfs/dbraw/zinc/53/02/94/822530294.db2.gz KYOFABWTAHVJMQ-AFVILVPDSA-N 1 0 389.609 4.118 20 0 GIADRO C[C@@H]1CCCC[C@H]1C[NH2+]Cc1cccnc1Oc1cccc(S(C)(=O)=O)c1 ZINC000183814552 822530989 /nfs/dbraw/zinc/53/09/89/822530989.db2.gz XRDZXMZCXZUTAA-SJORKVTESA-N 1 0 388.533 4.193 20 0 GIADRO CC[C@H](c1ccncc1)N(C)CC(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000179707003 822531918 /nfs/dbraw/zinc/53/19/18/822531918.db2.gz VYYROUZIFGXVEH-GOSISDBHSA-N 1 0 384.480 4.366 20 0 GIADRO Brc1ccc2[nH]c(C[NH2+]Cc3ccc(-n4cccn4)cc3)cc2c1 ZINC000183823585 822532267 /nfs/dbraw/zinc/53/22/67/822532267.db2.gz NPFWFWLRXNXKIO-UHFFFAOYSA-N 1 0 381.277 4.406 20 0 GIADRO Cc1nn(C)c2sc(C(=O)Nc3ccc(C[N@H+]4CCC[C@@H](C)C4)cc3)cc12 ZINC000046934579 822532521 /nfs/dbraw/zinc/53/25/21/822532521.db2.gz YCRJIKNCAPRZRK-CQSZACIVSA-N 1 0 382.533 4.427 20 0 GIADRO CNC(=O)C(C)(C)C[NH2+][C@H](c1ccccc1)c1cc(Br)ccc1F ZINC000183839147 822534409 /nfs/dbraw/zinc/53/44/09/822534409.db2.gz WIZCROVZZDNBNE-QGZVFWFLSA-N 1 0 393.300 4.039 20 0 GIADRO COc1ccc(F)cc1[C@H](C)NC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000046985718 822535643 /nfs/dbraw/zinc/53/56/43/822535643.db2.gz LBDKHZHFUDWQKP-KRWDZBQOSA-N 1 0 391.531 4.193 20 0 GIADRO CC[C@H](C)[NH+]1CCN(C(=O)Nc2cccc(CSC3CCOCC3)c2)CC1 ZINC000454799484 822536231 /nfs/dbraw/zinc/53/62/31/822536231.db2.gz HTJJRZRKPRBFRH-KRWDZBQOSA-N 1 0 391.581 4.047 20 0 GIADRO COC(=O)COc1ccccc1[C@@H](C)[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000183855890 822536550 /nfs/dbraw/zinc/53/65/50/822536550.db2.gz APOVFIFJPAWIAY-RDTXWAMCSA-N 1 0 389.879 4.456 20 0 GIADRO COC(=O)COc1ccccc1[C@@H](C)[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000183855927 822536568 /nfs/dbraw/zinc/53/65/68/822536568.db2.gz APOVFIFJPAWIAY-KDOFPFPSSA-N 1 0 389.879 4.456 20 0 GIADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[NH2+][C@H](CCCO)c1ccccc1 ZINC000179734507 822538167 /nfs/dbraw/zinc/53/81/67/822538167.db2.gz HRBHZTPXCJGFQB-LJQANCHMSA-N 1 0 395.330 4.055 20 0 GIADRO CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000179737059 822538926 /nfs/dbraw/zinc/53/89/26/822538926.db2.gz QOVRCWGQGWYHLP-MRXNPFEDSA-N 1 0 385.483 4.234 20 0 GIADRO Cc1cc(C)c(CC(=O)N[C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)c(C)c1 ZINC000179743666 822541259 /nfs/dbraw/zinc/54/12/59/822541259.db2.gz INIWDMAONKIMSD-QFIPXVFZSA-N 1 0 392.543 4.259 20 0 GIADRO Cc1ccc(NC(=O)N2CC(c3ccc(Cl)cc3)C2)c(OCC[NH+](C)C)c1 ZINC000454826204 822541505 /nfs/dbraw/zinc/54/15/05/822541505.db2.gz AEFQMQRZOXTHAZ-UHFFFAOYSA-N 1 0 387.911 4.220 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N(Cc1ccoc1)C1CCCCC1 ZINC000179748958 822542063 /nfs/dbraw/zinc/54/20/63/822542063.db2.gz QPPAEIWWBWCBPW-UHFFFAOYSA-N 1 0 396.535 4.436 20 0 GIADRO CC[C@@H]1CN(C(=O)Nc2cccc(NC(C)=O)c2C)CC[N@@H+]1Cc1ccccc1 ZINC000183901174 822542869 /nfs/dbraw/zinc/54/28/69/822542869.db2.gz LRBFKYYZBAQBKA-HXUWFJFHSA-N 1 0 394.519 4.082 20 0 GIADRO Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000179752339 822542892 /nfs/dbraw/zinc/54/28/92/822542892.db2.gz METQHRVRLIKKOR-PZJWPPBQSA-N 1 0 392.547 4.194 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N1CCC[C@H]1c1ccccc1Cl ZINC000179754078 822543526 /nfs/dbraw/zinc/54/35/26/822543526.db2.gz BPODBCRDLUURFC-NRFANRHFSA-N 1 0 398.938 4.498 20 0 GIADRO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)c(C)c1 ZINC000179755993 822543958 /nfs/dbraw/zinc/54/39/58/822543958.db2.gz AFBDAUMCKODMMC-ZHRRBRCNSA-N 1 0 380.488 4.143 20 0 GIADRO O=C(C[NH2+][C@@H](CCCO)c1ccccc1)N[C@@H](c1ccccc1)C1CCCC1 ZINC000179756136 822543965 /nfs/dbraw/zinc/54/39/65/822543965.db2.gz GURWFWRTLWXNKP-UPVQGACJSA-N 1 0 380.532 4.138 20 0 GIADRO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)c(C)c1 ZINC000179755968 822543998 /nfs/dbraw/zinc/54/39/98/822543998.db2.gz AFBDAUMCKODMMC-OPAMFIHVSA-N 1 0 380.488 4.143 20 0 GIADRO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)c(C)c1 ZINC000179755981 822544008 /nfs/dbraw/zinc/54/40/08/822544008.db2.gz AFBDAUMCKODMMC-KSFYIVLOSA-N 1 0 380.488 4.143 20 0 GIADRO O=C(NCc1ccc(COc2ccccc2)cc1)N1CCC([NH+]2CCCC2)CC1 ZINC000047094933 822544217 /nfs/dbraw/zinc/54/42/17/822544217.db2.gz LAGSXYWAFYWBBC-UHFFFAOYSA-N 1 0 393.531 4.035 20 0 GIADRO CCN(Cc1ccc(Cl)s1)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179756797 822544264 /nfs/dbraw/zinc/54/42/64/822544264.db2.gz INYAZVCIPFURAK-UHFFFAOYSA-N 1 0 392.956 4.245 20 0 GIADRO C[C@H]1CN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC[C@@H]1c1ccccc1 ZINC000179759242 822544886 /nfs/dbraw/zinc/54/48/86/822544886.db2.gz XIKDHLXMNJQBDM-CVDCTZTESA-N 1 0 392.547 4.133 20 0 GIADRO Cc1cc(C)c(NC(=O)C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)c(C)c1 ZINC000179759900 822545069 /nfs/dbraw/zinc/54/50/69/822545069.db2.gz BTTSOGBTVDBXEP-HSZRJFAPSA-N 1 0 380.488 4.062 20 0 GIADRO COc1ccc([C@@H](C)C[NH+]2CCC(C(=O)Nc3ccccc3OC)CC2)cc1 ZINC000179762708 822546248 /nfs/dbraw/zinc/54/62/48/822546248.db2.gz ICPBWIHNDWVDBE-KRWDZBQOSA-N 1 0 382.504 4.158 20 0 GIADRO CC1(C)CN(C(=O)NC2CC(F)(F)C2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000454855911 822546716 /nfs/dbraw/zinc/54/67/16/822546716.db2.gz IXYOEOHMRVHFMM-IBGZPJMESA-N 1 0 391.506 4.116 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccccc1SCc1cscn1 ZINC000047143102 822548334 /nfs/dbraw/zinc/54/83/34/822548334.db2.gz HFFMXGUTDHTMEY-OAHLLOKOSA-N 1 0 375.563 4.040 20 0 GIADRO C[C@@H]1CC[C@H](Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)c2ccccc21 ZINC000179769937 822548930 /nfs/dbraw/zinc/54/89/30/822548930.db2.gz YKFSUZIEFRWGNM-HXOBKFHXSA-N 1 0 377.532 4.434 20 0 GIADRO CC(C)[C@@H](Cc1ccc(F)cc1)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000179771960 822549442 /nfs/dbraw/zinc/54/94/42/822549442.db2.gz JRSMJLUFQYVJJV-HSZRJFAPSA-N 1 0 397.538 4.202 20 0 GIADRO CCC[C@H](NC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C(C)(C)C ZINC000454875320 822549741 /nfs/dbraw/zinc/54/97/41/822549741.db2.gz QYXDRMPDOMUOGF-GPANFISMSA-N 1 0 377.495 4.306 20 0 GIADRO CC(C)[C@@H](CCc1ccccc1)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000179773174 822549776 /nfs/dbraw/zinc/54/97/76/822549776.db2.gz QSJSHPFJXZBEOT-XMMPIXPASA-N 1 0 393.575 4.453 20 0 GIADRO CC1(C)CN(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)[C@@H]2CCC[C@H]21 ZINC000454876881 822549982 /nfs/dbraw/zinc/54/99/82/822549982.db2.gz UGFKGLCAUBYICH-BHUNQDJPSA-N 1 0 387.490 4.012 20 0 GIADRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000454879754 822550087 /nfs/dbraw/zinc/55/00/87/822550087.db2.gz ZHNFKACVKGIGBZ-PZJWPPBQSA-N 1 0 379.504 4.038 20 0 GIADRO O=C(N[C@H](c1ccc(F)c(Cl)c1)C1CC1)NC1CC([NH+]2CCCCC2)C1 ZINC000454879047 822550171 /nfs/dbraw/zinc/55/01/71/822550171.db2.gz DPSMUYSZWVOQTC-RJYAGPCLSA-N 1 0 379.907 4.246 20 0 GIADRO CC[C@@H](Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)c1ccc(F)cc1F ZINC000179774763 822550257 /nfs/dbraw/zinc/55/02/57/822550257.db2.gz JRRJTZCWSQFQTP-OAQYLSRUSA-N 1 0 387.474 4.225 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)NC[C@H](C)c2nc(C)cs2)CC1 ZINC000183937836 822550264 /nfs/dbraw/zinc/55/02/64/822550264.db2.gz NEYWEQZTSFKQPH-INIZCTEOSA-N 1 0 380.602 4.099 20 0 GIADRO CC[NH+]1CCN(c2ccccc2N[C@H](C)c2cccc(N3CCCC3=O)c2)CC1 ZINC000179776390 822550651 /nfs/dbraw/zinc/55/06/51/822550651.db2.gz RPPXJHZNUBKIAT-LJQANCHMSA-N 1 0 392.547 4.128 20 0 GIADRO C[C@H]([NH2+]CC(=O)N1c2ccccc2CC[C@@H]1C)c1ccc(NC(=O)C2CC2)cc1 ZINC000179776151 822550654 /nfs/dbraw/zinc/55/06/54/822550654.db2.gz PPZRLXXMKOHGHB-IRXDYDNUSA-N 1 0 391.515 4.054 20 0 GIADRO CCOCc1ccc(NC(=O)NC[C@@H](c2ccc(SC)cc2)[NH+](C)C)cc1 ZINC000454887196 822551278 /nfs/dbraw/zinc/55/12/78/822551278.db2.gz NMGIBCMULBPDEZ-FQEVSTJZSA-N 1 0 387.549 4.369 20 0 GIADRO CC(=O)Nc1cc(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)ccc1C ZINC000047186612 822552321 /nfs/dbraw/zinc/55/23/21/822552321.db2.gz LCDJYPXFKFGUAE-QGZVFWFLSA-N 1 0 393.531 4.115 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccc(COc2ccc(F)cc2)o1 ZINC000047187679 822552432 /nfs/dbraw/zinc/55/24/32/822552432.db2.gz BGHWLWIOHGEROY-QGZVFWFLSA-N 1 0 388.483 4.382 20 0 GIADRO CCC(CC)[C@H]([NH2+]CC(=O)Nc1ccc(C(=O)N(C)C)cc1)c1ccccc1 ZINC000179786555 822552935 /nfs/dbraw/zinc/55/29/35/822552935.db2.gz LZKJURMNAQONHR-QFIPXVFZSA-N 1 0 381.520 4.094 20 0 GIADRO CC1CC[NH+](CCCCNC(=O)c2ccccc2NC(=O)c2ccccc2)CC1 ZINC000047214177 822554956 /nfs/dbraw/zinc/55/49/56/822554956.db2.gz XBQCIWPHCXMKHC-UHFFFAOYSA-N 1 0 393.531 4.181 20 0 GIADRO O=C(c1cccc(Br)c1Cl)N1CCC(C[NH+]2CCCC2)CC1 ZINC000183976802 822556962 /nfs/dbraw/zinc/55/69/62/822556962.db2.gz QWFSVUYVLFBOQD-UHFFFAOYSA-N 1 0 385.733 4.051 20 0 GIADRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCCC1CC(F)(F)C1 ZINC000454921785 822557272 /nfs/dbraw/zinc/55/72/72/822557272.db2.gz LODXGVBMZYPZQG-GOSISDBHSA-N 1 0 379.495 4.022 20 0 GIADRO C[C@@H](NC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C1CC1 ZINC000454932249 822559233 /nfs/dbraw/zinc/55/92/33/822559233.db2.gz WPKHORCDLXIIIO-SRWPAKMTSA-N 1 0 375.944 4.352 20 0 GIADRO CC[C@H](C)CN(C)c1ccc(F)cc1C[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000179820121 822559410 /nfs/dbraw/zinc/55/94/10/822559410.db2.gz LSAPSUZIOWANRW-SFHVURJKSA-N 1 0 389.559 4.142 20 0 GIADRO O=C(NCc1ccc(C(F)F)cc1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000183993589 822559815 /nfs/dbraw/zinc/55/98/15/822559815.db2.gz LSVIDCVWCQJNCU-UHFFFAOYSA-N 1 0 391.437 4.227 20 0 GIADRO C[C@@H]([NH2+]Cc1nnc(-c2cc3c(s2)CCCC3)o1)[C@@H]1COc2ccccc21 ZINC000184001811 822561630 /nfs/dbraw/zinc/56/16/30/822561630.db2.gz XGKOZUKOVLCNFJ-CJNGLKHVSA-N 1 0 381.501 4.331 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)CCc3nc4ccccc4[nH]3)cc2)C1 ZINC000047284125 822562178 /nfs/dbraw/zinc/56/21/78/822562178.db2.gz WRAYDRKWFHEDJU-KRWDZBQOSA-N 1 0 376.504 4.366 20 0 GIADRO CC[N@@H+](Cc1cnc(-c2ccccc2)[nH]1)CC1CCN(c2ccccn2)CC1 ZINC000179834865 822562829 /nfs/dbraw/zinc/56/28/29/822562829.db2.gz VXKKBDAEYPBTNA-UHFFFAOYSA-N 1 0 375.520 4.210 20 0 GIADRO O=C(NCc1ccc(OC(F)(F)F)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000047304156 822563683 /nfs/dbraw/zinc/56/36/83/822563683.db2.gz MGKNSVMTOVROGN-UHFFFAOYSA-N 1 0 392.421 4.114 20 0 GIADRO Cc1ccc(NC(=O)C2CC2)cc1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000047309427 822564257 /nfs/dbraw/zinc/56/42/57/822564257.db2.gz JUEYMQHZUVAZOB-UHFFFAOYSA-N 1 0 391.515 4.194 20 0 GIADRO Cc1cc(NC(=O)N2CCC([NH+]3CCCCC3)CC2)ccc1Br ZINC000047335110 822567711 /nfs/dbraw/zinc/56/77/11/822567711.db2.gz NXCJDYQXYVZYSL-UHFFFAOYSA-N 1 0 380.330 4.240 20 0 GIADRO CCOc1ccc(-c2nc(C[NH2+][C@H](C)C3CCOCC3)cs2)cc1OC ZINC000179864607 822568287 /nfs/dbraw/zinc/56/82/87/822568287.db2.gz PWHJCTKJUVOZMK-CQSZACIVSA-N 1 0 376.522 4.122 20 0 GIADRO Cc1noc(C)c1[C@H](C)C[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000184041606 822569359 /nfs/dbraw/zinc/56/93/59/822569359.db2.gz MSTNXRGQJURWLB-SNVBAGLBSA-N 1 0 380.279 4.072 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1sccc1COC)c1ccccc1Cl ZINC000179875409 822569517 /nfs/dbraw/zinc/56/95/17/822569517.db2.gz XZHZWBVVXVEKLE-QGZVFWFLSA-N 1 0 380.941 4.361 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)c2c(Cl)n(C)nc2C(C)C)CC1 ZINC000184071713 822574251 /nfs/dbraw/zinc/57/42/51/822574251.db2.gz IGTKOCOIVBWNOX-UHFFFAOYSA-N 1 0 382.980 4.171 20 0 GIADRO CC1(CO)CC[NH+](Cc2cn(Cc3ccccc3)nc2-c2cccs2)CC1 ZINC000184074182 822574469 /nfs/dbraw/zinc/57/44/69/822574469.db2.gz JTFHBPYQXILEHH-UHFFFAOYSA-N 1 0 381.545 4.254 20 0 GIADRO COc1cc2c(cc1NC(=O)C[N@H+](C[C@H]1CCOC1)C1CC1)oc1ccccc12 ZINC000047405711 822575745 /nfs/dbraw/zinc/57/57/45/822575745.db2.gz DJFXHVVXSGBAMR-OAHLLOKOSA-N 1 0 394.471 4.034 20 0 GIADRO C[C@H]([NH2+]CCCc1nc(-c2ccc(F)cc2)no1)c1ccc2c(c1)OCCCO2 ZINC000184093656 822576909 /nfs/dbraw/zinc/57/69/09/822576909.db2.gz OOKAAQKXTKFWBB-HNNXBMFYSA-N 1 0 397.450 4.320 20 0 GIADRO Cc1nc(-c2ccc(CCNC(=O)C3CC[NH+](CC(C)C)CC3)cc2)cs1 ZINC000047413268 822576980 /nfs/dbraw/zinc/57/69/80/822576980.db2.gz XSODCXKHHUIYEU-UHFFFAOYSA-N 1 0 385.577 4.145 20 0 GIADRO CCCNC(=O)C1CC[NH+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000179918711 822577105 /nfs/dbraw/zinc/57/71/05/822577105.db2.gz BUDCIGNKPRBELR-UHFFFAOYSA-N 1 0 383.319 4.007 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc(NC(=O)c3cccs3)cc2)C1 ZINC000047416631 822577459 /nfs/dbraw/zinc/57/74/59/822577459.db2.gz WDDXVBKZSVTTSY-CALCHBBNSA-N 1 0 399.560 4.098 20 0 GIADRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2cccc(NC(=O)c3cccs3)c2)C1 ZINC000047416549 822577567 /nfs/dbraw/zinc/57/75/67/822577567.db2.gz MCMRMTCNLRBJBM-IRXDYDNUSA-N 1 0 399.560 4.098 20 0 GIADRO CCCNC(=O)C1CC[NH+](Cc2ccc(OCc3ccccc3)c(OC)c2)CC1 ZINC000179922823 822577942 /nfs/dbraw/zinc/57/79/42/822577942.db2.gz VEZOCMMCNAXEEI-UHFFFAOYSA-N 1 0 396.531 4.012 20 0 GIADRO Cc1ccc(Br)c(NC(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)c1 ZINC000455042043 822578468 /nfs/dbraw/zinc/57/84/68/822578468.db2.gz YCQWMEFMUUZRCF-CQSZACIVSA-N 1 0 380.330 4.096 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)CCc2nnc(-c3ccsc3)o2)c1 ZINC000047447993 822580328 /nfs/dbraw/zinc/58/03/28/822580328.db2.gz ZNBLYQHFYVRNRH-UHFFFAOYSA-N 1 0 384.505 4.211 20 0 GIADRO CCOC1(C)CCN(C(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)CC1 ZINC000455054185 822581522 /nfs/dbraw/zinc/58/15/22/822581522.db2.gz ILSKLRSKBFYDPX-UHFFFAOYSA-N 1 0 387.568 4.384 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(S(=O)(=O)CC)cc2)cc1OCC ZINC000179941964 822581818 /nfs/dbraw/zinc/58/18/18/822581818.db2.gz KNRYLSAPDLQWMM-INIZCTEOSA-N 1 0 391.533 4.128 20 0 GIADRO CCCOc1ccc(NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000455060972 822582728 /nfs/dbraw/zinc/58/27/28/822582728.db2.gz PLDXXLDIMBNRNV-UHFFFAOYSA-N 1 0 387.446 4.356 20 0 GIADRO O=C(Nc1ncccc1Cl)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000179946269 822582865 /nfs/dbraw/zinc/58/28/65/822582865.db2.gz XVQARGAJEMHRNF-QGZVFWFLSA-N 1 0 383.801 4.128 20 0 GIADRO Cc1c(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)cccc1N(C)C ZINC000455063937 822583122 /nfs/dbraw/zinc/58/31/22/822583122.db2.gz AAIACHFUMWVENM-SFHVURJKSA-N 1 0 380.536 4.047 20 0 GIADRO CC[C@H](C)n1ncc(NC(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)c1C1CC1 ZINC000455065414 822583605 /nfs/dbraw/zinc/58/36/05/822583605.db2.gz VZEQWVQELCAWFV-WMZOPIPTSA-N 1 0 375.561 4.364 20 0 GIADRO CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2ccccc2OC(F)(F)F)cc1 ZINC000179951839 822584679 /nfs/dbraw/zinc/58/46/79/822584679.db2.gz DTGBIVXAJKGLMO-CYBMUJFWSA-N 1 0 387.423 4.230 20 0 GIADRO CCS(=O)(=O)c1ccc(C[NH2+][C@H]2CCCOc3c(Cl)cc(C)cc32)cc1 ZINC000179954709 822585042 /nfs/dbraw/zinc/58/50/42/822585042.db2.gz CCANAGGCJIJDME-IBGZPJMESA-N 1 0 393.936 4.446 20 0 GIADRO Cn1cc([C@H](NC[C@@H](c2ccccc2)[NH+]2CCCC2)c2cccc(F)c2)cn1 ZINC000179960832 822586022 /nfs/dbraw/zinc/58/60/22/822586022.db2.gz ZZTFMCQFYDUIAO-XZOQPEGZSA-N 1 0 378.495 4.075 20 0 GIADRO COCCOc1ccc([C@@H](C)[NH2+][C@H]2CCCOc3cc(F)ccc32)cc1OC ZINC000179961389 822586285 /nfs/dbraw/zinc/58/62/85/822586285.db2.gz HNIYSTFJMARGPN-BEFAXECRSA-N 1 0 389.467 4.424 20 0 GIADRO C[N@@H+]1CC[C@]2(CCN(C(=O)Nc3ccc(Br)c4ccccc34)C2)C1 ZINC000455081332 822586766 /nfs/dbraw/zinc/58/67/66/822586766.db2.gz ZFFBBDHTXHUWBF-IBGZPJMESA-N 1 0 388.309 4.162 20 0 GIADRO CC1CC[NH+]([C@@H](CNC(=O)c2ncccc2C(F)(F)F)c2ccccc2)CC1 ZINC000179966773 822587152 /nfs/dbraw/zinc/58/71/52/822587152.db2.gz ABVWIXIZBMDYTG-SFHVURJKSA-N 1 0 391.437 4.303 20 0 GIADRO CCC(C)(C)NC(=O)c1ccc(NC(=O)CC2(C[NH3+])CCCCC2)cc1Cl ZINC000184162179 822588410 /nfs/dbraw/zinc/58/84/10/822588410.db2.gz ZZLHOSTYFCYJHL-UHFFFAOYSA-N 1 0 393.959 4.496 20 0 GIADRO CC(C)C[C@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1cccc(C(F)(F)F)c1 ZINC000179977073 822589011 /nfs/dbraw/zinc/58/90/11/822589011.db2.gz GJADUBBMFCFBRA-MSOLQXFVSA-N 1 0 387.442 4.304 20 0 GIADRO O=C(Nc1ccc(Oc2ccccc2)cn1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000455105981 822589612 /nfs/dbraw/zinc/58/96/12/822589612.db2.gz DDFZIYQFUAXYQL-DYESRHJHSA-N 1 0 392.503 4.355 20 0 GIADRO C[C@@H](CC(=O)N1CCC(OCC[NH+]2CCCC2)CC1)Cc1ccc(Cl)cc1 ZINC000179981685 822590158 /nfs/dbraw/zinc/59/01/58/822590158.db2.gz FBNJSUOPZRRMAT-GOSISDBHSA-N 1 0 392.971 4.012 20 0 GIADRO C[C@@H](NC(=O)NCCCCC[NH+]1CCCC1)c1ccc(-c2cccnc2)cc1 ZINC000455111557 822590481 /nfs/dbraw/zinc/59/04/81/822590481.db2.gz HIOLPNJHUOWHOC-LJQANCHMSA-N 1 0 380.536 4.375 20 0 GIADRO Cc1cccc(COc2ccc([C@@H](C)[NH2+]C[C@H]3COC4(CCOCC4)O3)cc2)c1 ZINC000179986671 822591151 /nfs/dbraw/zinc/59/11/51/822591151.db2.gz KJRXGQKKMSBPEO-XXBNENTESA-N 1 0 397.515 4.147 20 0 GIADRO Cc1cccc(NC(=S)NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)c1C ZINC000047567411 822591462 /nfs/dbraw/zinc/59/14/62/822591462.db2.gz JJKAQERUHIJONC-ROUUACIJSA-N 1 0 397.588 4.399 20 0 GIADRO Cc1ccc([C@H](Cc2ccccc2)[NH2+]C[C@H]2COC3(CCOCC3)O2)cc1C ZINC000179990653 822592031 /nfs/dbraw/zinc/59/20/31/822592031.db2.gz GSHJKCQCOHSTEY-GOTSBHOMSA-N 1 0 381.516 4.099 20 0 GIADRO N#Cc1ccc(C[NH+]2CCC(Nc3ccc(N4CCCC4)c(F)c3)CC2)cc1 ZINC000179991851 822592283 /nfs/dbraw/zinc/59/22/83/822592283.db2.gz DBJNOQYOSBAQLX-UHFFFAOYSA-N 1 0 378.495 4.374 20 0 GIADRO CCOc1cc(NC(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)ccc1OC ZINC000047581843 822593240 /nfs/dbraw/zinc/59/32/40/822593240.db2.gz MQPRBZXNGPPDLA-UHFFFAOYSA-N 1 0 397.519 4.142 20 0 GIADRO C[C@H]1CN(C(=O)Nc2nc(Cc3ccccc3)cs2)CC[N@@H+](C2CCC2)C1 ZINC000455127918 822593486 /nfs/dbraw/zinc/59/34/86/822593486.db2.gz RHPVAGCNCMOGGJ-MRXNPFEDSA-N 1 0 384.549 4.072 20 0 GIADRO CC[C@H]1Oc2cc([C@@H](C)[NH2+]CC(=O)Nc3c(C)cc(C)cc3C)ccc2NC1=O ZINC000180005305 822594173 /nfs/dbraw/zinc/59/41/73/822594173.db2.gz UCCTZKYQMROPMK-VQIMIIECSA-N 1 0 395.503 4.011 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(Cn2ccnc2)c1)c1nc2ccc(Cl)cc2n1C ZINC000180008958 822595192 /nfs/dbraw/zinc/59/51/92/822595192.db2.gz MWUPNJWYMJIDGB-OAHLLOKOSA-N 1 0 379.895 4.322 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000180010273 822595731 /nfs/dbraw/zinc/59/57/31/822595731.db2.gz BTSBRNJFFSRHLN-IERDGZPVSA-N 1 0 386.923 4.105 20 0 GIADRO CCc1nn(C)cc1C[N@@H+]1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000180014291 822596792 /nfs/dbraw/zinc/59/67/92/822596792.db2.gz QFNUQYFQCKDMBZ-OAHLLOKOSA-N 1 0 385.899 4.066 20 0 GIADRO CC(C)CS(=O)(=O)N1CCC([NH2+][C@@H](C)c2cc(Cl)sc2Cl)CC1 ZINC000180018595 822597723 /nfs/dbraw/zinc/59/77/23/822597723.db2.gz XNXAERZVBAHORO-NSHDSACASA-N 1 0 399.409 4.156 20 0 GIADRO Cc1nc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c(-c2ccccc2)o1 ZINC000184218303 822597883 /nfs/dbraw/zinc/59/78/83/822597883.db2.gz PXUNRDFDXUBVCJ-KRWDZBQOSA-N 1 0 381.501 4.278 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Nc1cccc(Cl)c1-n1cccn1)c1cccs1 ZINC000047628219 822597869 /nfs/dbraw/zinc/59/78/69/822597869.db2.gz FVAMTWWFMHZLAF-HNNXBMFYSA-N 1 0 389.912 4.012 20 0 GIADRO COc1ccc(NC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1OC(C)C ZINC000184218613 822597960 /nfs/dbraw/zinc/59/79/60/822597960.db2.gz FBOWVKDKIZQZDM-SJORKVTESA-N 1 0 389.540 4.257 20 0 GIADRO CC(C)CS(=O)(=O)N1CCC([NH2+][C@@H](C)c2cccc(Cl)c2Cl)CC1 ZINC000180023030 822598728 /nfs/dbraw/zinc/59/87/28/822598728.db2.gz ZNSQFFYVRFRINZ-ZDUSSCGKSA-N 1 0 393.380 4.094 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)C[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]2C[C@@H]2C)c1 ZINC000180023352 822598904 /nfs/dbraw/zinc/59/89/04/822598904.db2.gz HSUBHPAWXKAKHW-DRWCTHJISA-N 1 0 385.895 4.224 20 0 GIADRO CC(C)[C@@H](C)NC(=O)C1CC[NH+](Cc2cccc(C(=O)OC(C)(C)C)c2)CC1 ZINC000180024154 822599220 /nfs/dbraw/zinc/59/92/20/822599220.db2.gz NMNFJPHWMFFPNB-QGZVFWFLSA-N 1 0 388.552 4.015 20 0 GIADRO O=C(NC[C@@H]1CCCCC1(F)F)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000455159560 822599297 /nfs/dbraw/zinc/59/92/97/822599297.db2.gz FRAPQFPHNYYBMD-FPOVZHCZSA-N 1 0 391.506 4.120 20 0 GIADRO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1ccc(NC(=O)c2cccs2)cc1 ZINC000047675739 822599412 /nfs/dbraw/zinc/59/94/12/822599412.db2.gz VRXPKUSVSNJWET-UHFFFAOYSA-N 1 0 399.560 4.337 20 0 GIADRO COc1ccc(-c2nc(C(=O)N(C)CC[N@H+](C)C3CCCCC3)cs2)cc1 ZINC000047675615 822599465 /nfs/dbraw/zinc/59/94/65/822599465.db2.gz FXNVSOSVSDLYMS-UHFFFAOYSA-N 1 0 387.549 4.155 20 0 GIADRO COc1ccc(NC(=O)C[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]2C[C@@H]2C)c(OC)c1 ZINC000180035539 822601857 /nfs/dbraw/zinc/60/18/57/822601857.db2.gz PQYTVYLYSBTZMU-KPFBPEDLSA-N 1 0 388.895 4.283 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)Nc2cccc(NC(=O)OC)c2)cc1 ZINC000047711598 822601914 /nfs/dbraw/zinc/60/19/14/822601914.db2.gz XJQZGLXNVZJBBB-UHFFFAOYSA-N 1 0 384.480 4.028 20 0 GIADRO CC[C@@H](C)Sc1ccc(NC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)c(C)c1 ZINC000184248349 822602664 /nfs/dbraw/zinc/60/26/64/822602664.db2.gz FVXFRKZSBGCQMR-ZWKOTPCHSA-N 1 0 392.613 4.033 20 0 GIADRO Cn1cc([C@H](NCc2cccc(C[NH+]3CCCC3)c2)c2cccc(F)c2)cn1 ZINC000180041457 822602866 /nfs/dbraw/zinc/60/28/66/822602866.db2.gz JMTMOTSJKNMTKD-HSZRJFAPSA-N 1 0 378.495 4.034 20 0 GIADRO Cc1ccc(CNC(=O)c2cccc(C[NH2+]Cc3ccc(F)c(F)c3)c2)cc1 ZINC000047718325 822603771 /nfs/dbraw/zinc/60/37/71/822603771.db2.gz MZPICLGNVOEQBJ-UHFFFAOYSA-N 1 0 380.438 4.493 20 0 GIADRO CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccc(OC)c(OC)c2)cc1 ZINC000047724629 822604243 /nfs/dbraw/zinc/60/42/43/822604243.db2.gz GOOIIFHFJQGMDI-INIZCTEOSA-N 1 0 385.508 4.428 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)Nc1ccc(Cl)cc1Cl ZINC000180049921 822604369 /nfs/dbraw/zinc/60/43/69/822604369.db2.gz NYFUXWHFCXHQRG-UHFFFAOYSA-N 1 0 379.291 4.427 20 0 GIADRO Cc1nc2cc(Br)cc(NC(=O)NC(C)(C)CCC[NH+](C)C)c2o1 ZINC000455191026 822604675 /nfs/dbraw/zinc/60/46/75/822604675.db2.gz YRSZLUXKNWCGQF-UHFFFAOYSA-N 1 0 397.317 4.141 20 0 GIADRO O=C(N[C@@H](c1ccc(Cl)cc1)C(F)(F)F)NC1CC[NH+](C2CCC2)CC1 ZINC000455192100 822604880 /nfs/dbraw/zinc/60/48/80/822604880.db2.gz FDZYVNKBJUBIJX-INIZCTEOSA-N 1 0 389.849 4.260 20 0 GIADRO COCCOc1cccc(NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000047738802 822605365 /nfs/dbraw/zinc/60/53/65/822605365.db2.gz WXFQOGARANENKH-UHFFFAOYSA-N 1 0 397.519 4.019 20 0 GIADRO C[C@@H](c1ccc(C(=O)NCc2ccccc2OCC[NH+](C)C)cc1)C(F)(F)F ZINC000455202121 822607503 /nfs/dbraw/zinc/60/75/03/822607503.db2.gz LQOIDFGQKRKJQZ-HNNXBMFYSA-N 1 0 394.437 4.223 20 0 GIADRO Cc1ccc(NC(=O)c2cc3cc(F)ccc3s2)cc1NC(=O)CC[NH+](C)C ZINC000184278983 822607560 /nfs/dbraw/zinc/60/75/60/822607560.db2.gz DELHSNXFLMHFHP-UHFFFAOYSA-N 1 0 399.491 4.491 20 0 GIADRO COc1cccc([C@@H]2[C@H](NC(=O)Nc3nc(C4CC4)cs3)CC[N@@H+]2C2CC2)c1 ZINC000180067662 822608277 /nfs/dbraw/zinc/60/82/77/822608277.db2.gz YDJVISACHYNBDU-IEBWSBKVSA-N 1 0 398.532 4.129 20 0 GIADRO COc1ccc(C[NH2+]Cc2ccc(OC(C)C)nc2)cc1OCc1cccnc1 ZINC000047772401 822608322 /nfs/dbraw/zinc/60/83/22/822608322.db2.gz YRWFICIGRQUOFR-UHFFFAOYSA-N 1 0 393.487 4.141 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N[C@H]1CCSc2ccccc21 ZINC000047777537 822608639 /nfs/dbraw/zinc/60/86/39/822608639.db2.gz VNQXJRAIVPUTMO-ZWKOTPCHSA-N 1 0 385.533 4.343 20 0 GIADRO C[C@H]([NH2+][C@@H](c1ccc(F)cc1)C1CCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000180070975 822609323 /nfs/dbraw/zinc/60/93/23/822609323.db2.gz NJNPGNBRTILWPH-VBKZILBWSA-N 1 0 376.497 4.055 20 0 GIADRO C[C@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1)c1nccs1 ZINC000184289095 822609422 /nfs/dbraw/zinc/60/94/22/822609422.db2.gz GUUSLAZQFPARFT-MRXNPFEDSA-N 1 0 375.501 4.284 20 0 GIADRO COc1cccc(N2CC[C@H](C[NH2+][C@H](C)c3nc4ccc(Cl)cc4n3C)C2)c1 ZINC000180083339 822611709 /nfs/dbraw/zinc/61/17/09/822611709.db2.gz NNYNHQZZQLONLK-HZPDHXFCSA-N 1 0 398.938 4.412 20 0 GIADRO C[C@@H](C[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1)c1c(Cl)cccc1Cl ZINC000180082332 822611730 /nfs/dbraw/zinc/61/17/30/822611730.db2.gz NONLEONQRGQQKK-RYUDHWBXSA-N 1 0 387.332 4.095 20 0 GIADRO Cc1ccccc1[C@@H]([NH2+]CC(=O)Nc1ccc(C(=O)N(C)C)cc1)C(C)(C)C ZINC000180083999 822611838 /nfs/dbraw/zinc/61/18/38/822611838.db2.gz PZCQWHCRXGDWLX-OAQYLSRUSA-N 1 0 381.520 4.012 20 0 GIADRO COc1ccccc1S(=O)(=O)CCC[NH2+][C@H](C)c1c(F)cccc1Cl ZINC000184311217 822612676 /nfs/dbraw/zinc/61/26/76/822612676.db2.gz LPGNRTOHYORVCQ-CYBMUJFWSA-N 1 0 385.888 4.002 20 0 GIADRO COc1ccc(C[NH2+][C@@H](C)c2ccc3c(c2)CCC(=O)N3)cc1Br ZINC000047827144 822612980 /nfs/dbraw/zinc/61/29/80/822612980.db2.gz HSNZMAWAWJXJMM-LBPRGKRZSA-N 1 0 389.293 4.193 20 0 GIADRO COc1ccc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(OCc2ccccc2)c1 ZINC000455229691 822613158 /nfs/dbraw/zinc/61/31/58/822613158.db2.gz ORGJFGTWNRWUCB-YQQQUEKLSA-N 1 0 395.503 4.021 20 0 GIADRO C[NH+]1CCN(c2cccc(Cl)c2CNc2cccc(NC(=O)C3CC3)c2)CC1 ZINC000180089956 822613229 /nfs/dbraw/zinc/61/32/29/822613229.db2.gz XFPYUPIPECJAAO-UHFFFAOYSA-N 1 0 398.938 4.052 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+]CC2(C)CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000184316509 822613546 /nfs/dbraw/zinc/61/35/46/822613546.db2.gz IRQZQMFFQQXHGI-INIZCTEOSA-N 1 0 389.540 4.333 20 0 GIADRO C[C@@H]([NH2+]CC1(C)CCN(C(=O)OC(C)(C)C)CC1)c1nc2ccccc2n1C ZINC000184317564 822613751 /nfs/dbraw/zinc/61/37/51/822613751.db2.gz QNVRYSROGKZLQT-MRXNPFEDSA-N 1 0 386.540 4.261 20 0 GIADRO COc1ccc(CN(C)C(=O)C[NH2+][C@H](C)c2oc3ccc(OC)cc3c2C)cc1 ZINC000184320314 822614336 /nfs/dbraw/zinc/61/43/36/822614336.db2.gz MHHVSIAFJIHELQ-MRXNPFEDSA-N 1 0 396.487 4.068 20 0 GIADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N[C@H]1CCSc2ccccc21 ZINC000047868617 822615208 /nfs/dbraw/zinc/61/52/08/822615208.db2.gz UZNORQRCIBXOMR-IRXDYDNUSA-N 1 0 387.574 4.421 20 0 GIADRO COc1ccc2oc([C@@H](C)[NH2+]CC(=O)N[C@@H]3CCOc4ccccc43)c(C)c2c1 ZINC000184326473 822615728 /nfs/dbraw/zinc/61/57/28/822615728.db2.gz KVSNCRQMHRTHLI-DNVCBOLYSA-N 1 0 394.471 4.040 20 0 GIADRO COc1ccc2oc([C@H](C)[NH2+]CC(=O)N[C@@H]3CCOc4ccccc43)c(C)c2c1 ZINC000184326488 822615732 /nfs/dbraw/zinc/61/57/32/822615732.db2.gz KVSNCRQMHRTHLI-HNAYVOBHSA-N 1 0 394.471 4.040 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N[C@H]1CCSc2ccc(F)cc21 ZINC000047882442 822616085 /nfs/dbraw/zinc/61/60/85/822616085.db2.gz VKHIIIRGMMGVOK-DLBZAZTESA-N 1 0 389.496 4.092 20 0 GIADRO Cc1ccc(C)c(Oc2ccc(CNC(=O)NC3CC[NH+](C(C)C)CC3)cn2)c1 ZINC000047884033 822616299 /nfs/dbraw/zinc/61/62/99/822616299.db2.gz LLHOWMIEFLNJKJ-UHFFFAOYSA-N 1 0 396.535 4.163 20 0 GIADRO CCC[C@@H]([NH2+][C@H](C)c1cncc(C)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000184336697 822617882 /nfs/dbraw/zinc/61/78/82/822617882.db2.gz VYAKPAFRZGMIHL-XMSQKQJNSA-N 1 0 380.536 4.448 20 0 GIADRO COc1ccc2oc([C@H](C)[NH2+]CC(=O)N[C@H](C)c3ccccc3OC)c(C)c2c1 ZINC000184337653 822618165 /nfs/dbraw/zinc/61/81/65/822618165.db2.gz LZYVIAHRWCNXFO-CVEARBPZSA-N 1 0 396.487 4.286 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(Cl)c(OC(F)F)c2)C1 ZINC000180115075 822618363 /nfs/dbraw/zinc/61/83/63/822618363.db2.gz OSEURMXFOPPOIV-GFCCVEGCSA-N 1 0 375.847 4.137 20 0 GIADRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)Nc1cccc(OC(F)F)c1 ZINC000047906707 822618452 /nfs/dbraw/zinc/61/84/52/822618452.db2.gz FJGOYSYWPSVZMU-SFHVURJKSA-N 1 0 375.419 4.247 20 0 GIADRO COc1ccc2oc([C@@H](C)[NH2+]CC(=O)N(C)Cc3cccc(OC)c3)c(C)c2c1 ZINC000184340144 822618496 /nfs/dbraw/zinc/61/84/96/822618496.db2.gz FQWATMKEEOFPKJ-MRXNPFEDSA-N 1 0 396.487 4.068 20 0 GIADRO COc1ccc2oc([C@@H](C)[NH2+]CC(=O)Nc3cc(C)nn3C(C)(C)C)c(C)c2c1 ZINC000184341267 822618580 /nfs/dbraw/zinc/61/85/80/822618580.db2.gz ZPANFPUHNOANIG-OAHLLOKOSA-N 1 0 398.507 4.299 20 0 GIADRO CCc1nn(C)cc1C[NH2+]Cc1ccccc1-c1ccc(Cn2ccnc2)cc1 ZINC000180121668 822619522 /nfs/dbraw/zinc/61/95/22/822619522.db2.gz VQHKETSGPMUUGX-UHFFFAOYSA-N 1 0 385.515 4.184 20 0 GIADRO COC(=O)Nc1ccc(CNC(=O)C[NH2+][C@H](C)c2cc3ccccc3s2)cc1 ZINC000184355738 822621366 /nfs/dbraw/zinc/62/13/66/822621366.db2.gz HETWHCIBHUZEIW-CQSZACIVSA-N 1 0 397.500 4.047 20 0 GIADRO COCc1ccc([C@@H]2CCCN2C(=O)NCc2ccccc2C[NH+]2CCCC2)o1 ZINC000184359281 822621795 /nfs/dbraw/zinc/62/17/95/822621795.db2.gz RTNHGTWOAUWUCU-NRFANRHFSA-N 1 0 397.519 4.069 20 0 GIADRO Cc1nc(C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)c(-c2ccccc2)o1 ZINC000184363036 822622477 /nfs/dbraw/zinc/62/24/77/822622477.db2.gz KWJCUHPBMPRAAB-UHFFFAOYSA-N 1 0 389.499 4.353 20 0 GIADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000180132753 822622640 /nfs/dbraw/zinc/62/26/40/822622640.db2.gz QKJLFMFLZKEWAE-ZDUSSCGKSA-N 1 0 375.847 4.280 20 0 GIADRO Cc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000048055648 822627901 /nfs/dbraw/zinc/62/79/01/822627901.db2.gz BQPLPERFEYBLIX-QHCPKHFHSA-N 1 0 392.547 4.424 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)Nc2cccc(OCC(F)(F)F)c2)CC1 ZINC000048076845 822629773 /nfs/dbraw/zinc/62/97/73/822629773.db2.gz FHTVQQVXPJPHBN-UHFFFAOYSA-N 1 0 387.446 4.212 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Nc1cccc(OCC(F)(F)F)c1)c1ccc(F)cc1 ZINC000048076821 822629815 /nfs/dbraw/zinc/62/98/15/822629815.db2.gz BQMPENRZSVNWFR-KRWDZBQOSA-N 1 0 399.388 4.191 20 0 GIADRO Cc1nn(C(C)(C)C)cc1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000184412077 822630164 /nfs/dbraw/zinc/63/01/64/822630164.db2.gz BHVZPGILXCETJM-IFMALSPDSA-N 1 0 394.563 4.073 20 0 GIADRO Cc1ccc(C(=O)CCCC(=O)NC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000184411897 822630185 /nfs/dbraw/zinc/63/01/85/822630185.db2.gz YIIIOUYZOZAHDB-UHFFFAOYSA-N 1 0 392.543 4.171 20 0 GIADRO COc1ccc(NC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)c(C(F)(F)F)c1 ZINC000048083303 822630324 /nfs/dbraw/zinc/63/03/24/822630324.db2.gz VSABRCCFGVEMAG-KRWDZBQOSA-N 1 0 399.388 4.278 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)NCCC[C@@H]2CCCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000184412719 822630422 /nfs/dbraw/zinc/63/04/22/822630422.db2.gz MYEKULUDMGUDSX-FCEUIQTBSA-N 1 0 387.568 4.030 20 0 GIADRO CC(C)N(C)c1ccc(NC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)cc1F ZINC000048083527 822630532 /nfs/dbraw/zinc/63/05/32/822630532.db2.gz IZHHDONCPACGCU-UHFFFAOYSA-N 1 0 378.536 4.254 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1sccc1Br)c1ccccc1 ZINC000048093697 822631125 /nfs/dbraw/zinc/63/11/25/822631125.db2.gz KFEWXLCKVHLRIE-HNNXBMFYSA-N 1 0 381.339 4.324 20 0 GIADRO COc1ccccc1SC[C@@H](C)C[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000180171961 822632046 /nfs/dbraw/zinc/63/20/46/822632046.db2.gz GIQGYDPQDJEWSL-HNNXBMFYSA-N 1 0 390.515 4.430 20 0 GIADRO Cc1ccc(C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)c(C2CC2)n1 ZINC000455316409 822633441 /nfs/dbraw/zinc/63/34/41/822633441.db2.gz DKPNVQQVHULSRY-UHFFFAOYSA-N 1 0 377.532 4.048 20 0 GIADRO CC(C)[C@H]([NH2+]C1CCC(S(C)(=O)=O)CC1)c1cccc(C(F)(F)F)c1 ZINC000180183804 822634592 /nfs/dbraw/zinc/63/45/92/822634592.db2.gz VKLTVTQQXBZITR-JCYILVPMSA-N 1 0 377.472 4.348 20 0 GIADRO Cc1ccc(-c2nc(CC(=O)N[C@@H]3CC[N@@H+](C)[C@@H]3c3ccccc3)cs2)cc1 ZINC000180187620 822635297 /nfs/dbraw/zinc/63/52/97/822635297.db2.gz HHMBTLNGCJEBPE-IFMALSPDSA-N 1 0 391.540 4.223 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)Nc1nnc(-c2ccc(Cl)cc2F)s1 ZINC000455349674 822638237 /nfs/dbraw/zinc/63/82/37/822638237.db2.gz GZTYDSWECIKAOX-UHFFFAOYSA-N 1 0 399.923 4.240 20 0 GIADRO CCOc1ccc(NC(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCC2)c(C)c1 ZINC000048142610 822638428 /nfs/dbraw/zinc/63/84/28/822638428.db2.gz DIUQLPAPQKWHDA-NRFANRHFSA-N 1 0 397.519 4.361 20 0 GIADRO CCOc1ccc(NC(=O)NC[C@H](c2cccc(OC)c2)[NH+]2CCCC2)c(C)c1 ZINC000048142707 822638437 /nfs/dbraw/zinc/63/84/37/822638437.db2.gz URYAACMLUHXQFJ-JOCHJYFZSA-N 1 0 397.519 4.361 20 0 GIADRO CCOc1ccc(NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)c(C)c1 ZINC000048144568 822638847 /nfs/dbraw/zinc/63/88/47/822638847.db2.gz WSAJVQAAPZKMPO-UHFFFAOYSA-N 1 0 385.483 4.319 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1)c1nc2ccc(Cl)cc2n1C ZINC000180210205 822639956 /nfs/dbraw/zinc/63/99/56/822639956.db2.gz BYFQSDMQSBIWEV-BMLIUANNSA-N 1 0 382.266 4.403 20 0 GIADRO CC(C)OC(=O)C[C@H]1CCC[N@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000184465515 822640763 /nfs/dbraw/zinc/64/07/63/822640763.db2.gz IDUBAYXMPYOZNZ-HXUWFJFHSA-N 1 0 382.504 4.214 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000180220558 822641821 /nfs/dbraw/zinc/64/18/21/822641821.db2.gz HQTIIAOOQMGLGN-DNQXCXABSA-N 1 0 385.511 4.371 20 0 GIADRO Cc1cc(C)c(NC(=O)CCC[N@H+]2CCC[C@@H](CC(=O)OC(C)C)C2)c(C)c1 ZINC000184487944 822644554 /nfs/dbraw/zinc/64/45/54/822644554.db2.gz MFNQDZFAFYAQNL-FQEVSTJZSA-N 1 0 388.552 4.384 20 0 GIADRO CC[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1)c1ccccc1F ZINC000180231826 822644703 /nfs/dbraw/zinc/64/47/03/822644703.db2.gz YZCMZEYDGCHFPL-FQEVSTJZSA-N 1 0 378.513 4.096 20 0 GIADRO C[C@@H]([NH2+]C[C@H](O)COCc1ccccc1Cl)c1nc(C(C)(C)C)cs1 ZINC000184488631 822644724 /nfs/dbraw/zinc/64/47/24/822644724.db2.gz DYQXESVTIPSKDQ-HIFRSBDPSA-N 1 0 382.957 4.322 20 0 GIADRO Cn1cc([C@H]([NH2+]C[C@@H]2CCCO[C@@H]2c2ccccc2)c2cccc(F)c2)cn1 ZINC000180232817 822644827 /nfs/dbraw/zinc/64/48/27/822644827.db2.gz KQGOSPJROFZKAZ-WWPVKYPJSA-N 1 0 379.479 4.406 20 0 GIADRO Cc1ccc(Cc2ccccn2)cc1NC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000455398123 822646531 /nfs/dbraw/zinc/64/65/31/822646531.db2.gz VMXSNZBJZMDGAI-SFHVURJKSA-N 1 0 392.547 4.319 20 0 GIADRO O=C(NC[C@H]1CCCC1(F)F)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000455402577 822647250 /nfs/dbraw/zinc/64/72/50/822647250.db2.gz ZPQTTXPHQPAAFR-LJQANCHMSA-N 1 0 391.506 4.120 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CSCc1cccnc1 ZINC000048234076 822647285 /nfs/dbraw/zinc/64/72/85/822647285.db2.gz WVKDQMQRCHDGEJ-SFHVURJKSA-N 1 0 383.561 4.006 20 0 GIADRO CCC[N@H+](CCc1cccs1)Cc1csc(-c2ccc(C(N)=O)cc2)n1 ZINC000184513706 822648618 /nfs/dbraw/zinc/64/86/18/822648618.db2.gz KAKYAESWPSDMRG-UHFFFAOYSA-N 1 0 385.558 4.425 20 0 GIADRO CCc1ccc(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)cc1Cl ZINC000455417333 822650068 /nfs/dbraw/zinc/65/00/68/822650068.db2.gz XIGRDNAZYRFKPA-JWTNVVGKSA-N 1 0 379.932 4.008 20 0 GIADRO CCc1c(C(=O)NCc2ccccc2C[NH+]2CCCCC2)[nH]c(C)c1C(C)=O ZINC000048274397 822650952 /nfs/dbraw/zinc/65/09/52/822650952.db2.gz NQAHJJGPMMCDKZ-UHFFFAOYSA-N 1 0 381.520 4.004 20 0 GIADRO Cc1ccc(F)c(CCNC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000455427028 822651659 /nfs/dbraw/zinc/65/16/59/822651659.db2.gz OBDNPGKKQPTCEC-UHFFFAOYSA-N 1 0 398.526 4.020 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)CSCc1ccccn1)c1ccccc1Cl ZINC000048298770 822652325 /nfs/dbraw/zinc/65/23/25/822652325.db2.gz SMGSCSQAVKZJHI-LJQANCHMSA-N 1 0 391.968 4.168 20 0 GIADRO CC(C)[NH+]1CCC(NC(=O)[C@@H](C)Sc2cc(Cl)ccc2Cl)CC1 ZINC000048339138 822654472 /nfs/dbraw/zinc/65/44/72/822654472.db2.gz CGRJJEFHIJDFMO-GFCCVEGCSA-N 1 0 375.365 4.463 20 0 GIADRO CC(C)[NH+]1CCC(NC(=O)[C@H](C)Sc2cc(Cl)ccc2Cl)CC1 ZINC000048339140 822654497 /nfs/dbraw/zinc/65/44/97/822654497.db2.gz CGRJJEFHIJDFMO-LBPRGKRZSA-N 1 0 375.365 4.463 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]CCCNC(=O)C(F)(F)F ZINC000184548219 822655297 /nfs/dbraw/zinc/65/52/97/822655297.db2.gz VJVJVCATCJARRF-GFCCVEGCSA-N 1 0 385.455 4.146 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)Nc1ccc(Cl)cc1OCC(F)F ZINC000455454052 822657454 /nfs/dbraw/zinc/65/74/54/822657454.db2.gz XXJPZNRVOOLLAU-UHFFFAOYSA-N 1 0 377.863 4.226 20 0 GIADRO CC[C@@H]([NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccccc1F ZINC000180293660 822657685 /nfs/dbraw/zinc/65/76/85/822657685.db2.gz ZGLDUBMBYAMOLU-HYFFOGBASA-N 1 0 384.495 4.316 20 0 GIADRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N(C)C[C@@H](C)c1nccs1 ZINC000184564241 822658238 /nfs/dbraw/zinc/65/82/38/822658238.db2.gz AUKWRUCTCNUKBP-IEBWSBKVSA-N 1 0 388.581 4.045 20 0 GIADRO CCC(=O)Nc1ccc(NC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)cc1 ZINC000048390031 822658661 /nfs/dbraw/zinc/65/86/61/822658661.db2.gz HRFDICSHJHOUIB-UHFFFAOYSA-N 1 0 394.519 4.083 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)CCC(=O)c2ccc(F)cc2F)cc1 ZINC000048399350 822659453 /nfs/dbraw/zinc/65/94/53/822659453.db2.gz UBWRUYNQNWEMAC-UHFFFAOYSA-N 1 0 388.458 4.086 20 0 GIADRO CC(C)Oc1cccc([C@@H](C)NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000180300824 822659612 /nfs/dbraw/zinc/65/96/12/822659612.db2.gz CSXAAXZWMNRTMJ-GOSISDBHSA-N 1 0 396.535 4.146 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)C1 ZINC000180302567 822660191 /nfs/dbraw/zinc/66/01/91/822660191.db2.gz DYQQMTVYAKJZBF-INIZCTEOSA-N 1 0 393.491 4.085 20 0 GIADRO Cc1ccccc1C[C@H](C)NC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180302933 822660220 /nfs/dbraw/zinc/66/02/20/822660220.db2.gz JSOFNPHILMJMCU-FQEVSTJZSA-N 1 0 394.563 4.269 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)[C@H](C)C1 ZINC000180303835 822660400 /nfs/dbraw/zinc/66/04/00/822660400.db2.gz FLGPLBXXMQTBIW-BEFAXECRSA-N 1 0 393.491 4.084 20 0 GIADRO C[C@H](Cc1ccccc1F)NC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180305871 822660516 /nfs/dbraw/zinc/66/05/16/822660516.db2.gz HXTKEGHDLOZFIO-GOSISDBHSA-N 1 0 398.526 4.100 20 0 GIADRO O=C(CCc1ccc2ccccc2c1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000180306161 822660594 /nfs/dbraw/zinc/66/05/94/822660594.db2.gz HTCXWZNTTCYILR-UHFFFAOYSA-N 1 0 394.559 4.123 20 0 GIADRO O=C(c1sccc1-c1ccccc1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000180307126 822660783 /nfs/dbraw/zinc/66/07/83/822660783.db2.gz AKLIZTSJYRGEEN-UHFFFAOYSA-N 1 0 398.572 4.380 20 0 GIADRO C[C@@H]1CCCN(Cc2csc(NC(=O)c3cn(C)nc3-c3ccccc3)n2)C1 ZINC000180308913 822661066 /nfs/dbraw/zinc/66/10/66/822661066.db2.gz XWPXUPCUUWQXFD-OAHLLOKOSA-N 1 0 395.532 4.028 20 0 GIADRO Cc1c(NC(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)cccc1-c1ncco1 ZINC000455476709 822661856 /nfs/dbraw/zinc/66/18/56/822661856.db2.gz AKGJLJLWTDMVCR-MRXNPFEDSA-N 1 0 390.487 4.218 20 0 GIADRO CCN(C(=O)NCc1nc2ccccc2s1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000184597447 822663471 /nfs/dbraw/zinc/66/34/71/822663471.db2.gz LLSISLBFPWKDFH-GOSISDBHSA-N 1 0 394.544 4.102 20 0 GIADRO CCOc1ccccc1[C@@H](CC)NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180325686 822663569 /nfs/dbraw/zinc/66/35/69/822663569.db2.gz RPOSAEGZHORTKH-OAQYLSRUSA-N 1 0 396.535 4.147 20 0 GIADRO CNC(=O)c1cccc(C[NH2+][C@H](COc2ccccc2F)c2ccccc2)c1 ZINC000180325226 822663633 /nfs/dbraw/zinc/66/36/33/822663633.db2.gz ZCNHKSOHJOWKBF-OAQYLSRUSA-N 1 0 378.447 4.095 20 0 GIADRO Cc1nc(NC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)ccc1-c1ccccc1 ZINC000455491517 822664961 /nfs/dbraw/zinc/66/49/61/822664961.db2.gz WNLOBWLEENIUIS-KRWDZBQOSA-N 1 0 378.520 4.395 20 0 GIADRO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]C1CCC2(CC1)C(=O)Nc1ccccc12 ZINC000184611688 822665556 /nfs/dbraw/zinc/66/55/56/822665556.db2.gz VTRZQBSWAFXEGT-POFQCLBPSA-N 1 0 380.536 4.430 20 0 GIADRO O=C(NCc1ccc(OCc2ccccc2)cc1)NC1CC[NH+](C2CCC2)CC1 ZINC000455499959 822666610 /nfs/dbraw/zinc/66/66/10/822666610.db2.gz DNRLMLXNULTINL-UHFFFAOYSA-N 1 0 393.531 4.082 20 0 GIADRO O=C(NCCCCC[NH+]1CCCCC1)N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000184622342 822666892 /nfs/dbraw/zinc/66/68/92/822666892.db2.gz UVBWQILWPVWGFO-FQEVSTJZSA-N 1 0 393.959 4.079 20 0 GIADRO CCCCOc1ccc([C@@H](C)[NH2+]Cc2cc(=O)n3cccc(C)c3n2)cc1OC ZINC000180346976 822667492 /nfs/dbraw/zinc/66/74/92/822667492.db2.gz OOCLGYRELSVZSV-QGZVFWFLSA-N 1 0 395.503 4.041 20 0 GIADRO CC(C)CC[NH+]1CCC(CNC(=O)N[C@H]2CCO[C@H](c3cccs3)C2)CC1 ZINC000455509590 822668502 /nfs/dbraw/zinc/66/85/02/822668502.db2.gz OTDIOKRMLUWMGO-OALUTQOASA-N 1 0 393.597 4.026 20 0 GIADRO COc1cccc([C@H](CNC(=O)Nc2cccc(-c3ncco3)c2C)[NH+](C)C)c1 ZINC000455524204 822670454 /nfs/dbraw/zinc/67/04/54/822670454.db2.gz ZVVNNXNNFRRDGR-FQEVSTJZSA-N 1 0 394.475 4.083 20 0 GIADRO COc1cc(C[NH2+][C@@H]2CC(C)(C)OC2(C)C)ccc1OCc1c(C)noc1C ZINC000180367346 822670998 /nfs/dbraw/zinc/67/09/98/822670998.db2.gz RJIASCPAOXPOIH-HXUWFJFHSA-N 1 0 388.508 4.315 20 0 GIADRO COc1cccc2[nH]cc(CC(=O)Nc3cccc(C[NH+]4CCCCC4)c3)c21 ZINC000180377984 822672396 /nfs/dbraw/zinc/67/23/96/822672396.db2.gz SYHFTEYSQMSIDN-UHFFFAOYSA-N 1 0 377.488 4.344 20 0 GIADRO COc1cccc([C@@H]2[C@@H]([NH2+]CC3=Cc4ccccc4OC3)CCN2C2CC2)c1 ZINC000180380197 822672857 /nfs/dbraw/zinc/67/28/57/822672857.db2.gz QQHOVRGRVHYXFI-LADGPHEKSA-N 1 0 376.500 4.039 20 0 GIADRO C[C@H](NC(=O)NC[C@H](c1ccsc1)[NH+](C)C)c1ccc(C(F)(F)F)cc1 ZINC000048568528 822673065 /nfs/dbraw/zinc/67/30/65/822673065.db2.gz QNAJKMGYBUYJKA-BLLLJJGKSA-N 1 0 385.455 4.430 20 0 GIADRO CCC1(CO)CC[NH+](Cc2ccc(OC(F)F)c(Br)c2)CC1 ZINC000180383434 822673490 /nfs/dbraw/zinc/67/34/90/822673490.db2.gz KIOAQQFXHIQURY-UHFFFAOYSA-N 1 0 378.257 4.035 20 0 GIADRO Cc1ccc([C@H](C[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)N2CCCC2)o1 ZINC000180386370 822673669 /nfs/dbraw/zinc/67/36/69/822673669.db2.gz ZOXVTHQWUGLMCF-ACBHZAAOSA-N 1 0 391.556 4.150 20 0 GIADRO C[C@H](NC(=O)Nc1cc(F)cc(F)c1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000455554340 822674135 /nfs/dbraw/zinc/67/41/35/822674135.db2.gz PRIGCPUNRUOBAG-ZFWWWQNUSA-N 1 0 377.410 4.136 20 0 GIADRO O=C(N[C@H]1CC[C@@H](c2cccc(Cl)c2)C1)NC1CC[NH+](C2CCC2)CC1 ZINC000455556172 822674328 /nfs/dbraw/zinc/67/43/28/822674328.db2.gz HRRSLQAOBWPOQA-APWZRJJASA-N 1 0 375.944 4.292 20 0 GIADRO Cn1ccnc1-c1cccc(NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000184675382 822674307 /nfs/dbraw/zinc/67/43/07/822674307.db2.gz KJBSIWCZFDBQAH-UHFFFAOYSA-N 1 0 388.515 4.328 20 0 GIADRO O=C(Nc1cc(F)cc(F)c1F)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000455556447 822674471 /nfs/dbraw/zinc/67/44/71/822674471.db2.gz UEWBVWZSWZTDBW-UHFFFAOYSA-N 1 0 395.347 4.031 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cc(F)cc(F)c1F ZINC000455563127 822675030 /nfs/dbraw/zinc/67/50/30/822675030.db2.gz IOWZQYFKSYLSTB-HNNXBMFYSA-N 1 0 377.410 4.090 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N(C)Cc1cc(F)c(F)c(F)c1 ZINC000180397010 822675391 /nfs/dbraw/zinc/67/53/91/822675391.db2.gz GTBANYQKFDMELF-UHFFFAOYSA-N 1 0 393.453 4.286 20 0 GIADRO COc1cc(NC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc(OC)c1C ZINC000455569499 822676132 /nfs/dbraw/zinc/67/61/32/822676132.db2.gz BAXPYFFIDKFKHA-KRWDZBQOSA-N 1 0 397.519 4.359 20 0 GIADRO CC(C)c1ccc([C@H](C)[NH2+]Cc2ccc(N3CCCS3(=O)=O)c(F)c2)cc1 ZINC000184687493 822676627 /nfs/dbraw/zinc/67/66/27/822676627.db2.gz VHZPQUYKDDHTMI-INIZCTEOSA-N 1 0 390.524 4.340 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1)c1cccc2ccccc21 ZINC000184687546 822676678 /nfs/dbraw/zinc/67/66/78/822676678.db2.gz NFLGTHMKHMPZKT-MRXNPFEDSA-N 1 0 398.503 4.370 20 0 GIADRO COCCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)cc1 ZINC000180408804 822676863 /nfs/dbraw/zinc/67/68/63/822676863.db2.gz SRHDEUYWIGZJMW-LJQANCHMSA-N 1 0 396.531 4.189 20 0 GIADRO O=C(N[C@@H](c1ccccc1)c1cccc(F)c1)NC1CC[NH+](C2CCC2)CC1 ZINC000455573200 822676899 /nfs/dbraw/zinc/67/68/99/822676899.db2.gz ZRPQKLVVHGVHDY-QFIPXVFZSA-N 1 0 381.495 4.231 20 0 GIADRO COc1ccc([C@@H]([NH2+][C@@H]2CCc3nc(C)nn3C2)c2ccc(Cl)cc2)cc1C ZINC000180410105 822677095 /nfs/dbraw/zinc/67/70/95/822677095.db2.gz YWRAQPPKXMAOGF-KNQAVFIVSA-N 1 0 396.922 4.251 20 0 GIADRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]C1CCN(c2nccs2)CC1 ZINC000180412743 822677506 /nfs/dbraw/zinc/67/75/06/822677506.db2.gz PBSQLQDXDYCFFI-ZDUSSCGKSA-N 1 0 380.355 4.095 20 0 GIADRO C[C@H]([NH2+]Cc1cn(C)nc1-c1ccccc1)c1nc2ccc(Cl)cc2n1C ZINC000180415712 822677846 /nfs/dbraw/zinc/67/78/46/822677846.db2.gz AUZODYWCKLSANP-AWEZNQCLSA-N 1 0 379.895 4.478 20 0 GIADRO CC[C@@H](C)C(=O)Nc1cccc(C[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)c1 ZINC000180419894 822678477 /nfs/dbraw/zinc/67/84/77/822678477.db2.gz SYSAXWVHQIZKCE-IAGOWNOFSA-N 1 0 395.503 4.479 20 0 GIADRO COc1cc(Cl)cc(C[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccco2)c1O ZINC000184701675 822679090 /nfs/dbraw/zinc/67/90/90/822679090.db2.gz WIVFWBCFKPMFAW-GOSISDBHSA-N 1 0 387.863 4.383 20 0 GIADRO CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]Cc2cccc3c2OCCCO3)cc1 ZINC000048714272 822679378 /nfs/dbraw/zinc/67/93/78/822679378.db2.gz SUACPQBJMUKQPM-INIZCTEOSA-N 1 0 383.492 4.229 20 0 GIADRO Cc1cccc([C@@H](C)NC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000455588480 822679461 /nfs/dbraw/zinc/67/94/61/822679461.db2.gz JLNOILPEGUJBOV-LJQANCHMSA-N 1 0 380.536 4.399 20 0 GIADRO Cc1cccc2c(CC(=O)N(C)CCC3CCN(c4cc[nH+]cc4)CC3)c[nH]c21 ZINC000180428711 822680030 /nfs/dbraw/zinc/68/00/30/822680030.db2.gz RDBDVAAHBGSEBS-UHFFFAOYSA-N 1 0 390.531 4.179 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H]3SCCc4ccccc43)cc2)CC1 ZINC000180428961 822680135 /nfs/dbraw/zinc/68/01/35/822680135.db2.gz AZVGPNYXCJDTBB-JOCHJYFZSA-N 1 0 395.572 4.186 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1ccccc1OC(F)F ZINC000180430604 822680544 /nfs/dbraw/zinc/68/05/44/822680544.db2.gz GEUPRGXESSKKBT-UHFFFAOYSA-N 1 0 389.446 4.062 20 0 GIADRO CSc1cc(C(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)ccc1F ZINC000180432301 822680744 /nfs/dbraw/zinc/68/07/44/822680744.db2.gz OTJVCIDDBNMKSP-UHFFFAOYSA-N 1 0 387.524 4.321 20 0 GIADRO Cc1cc(C)n(-c2ccc(C[NH2+]Cc3ccccc3OCc3cccnc3)cn2)n1 ZINC000048743629 822680805 /nfs/dbraw/zinc/68/08/05/822680805.db2.gz VVUJBLKZKBPZSP-UHFFFAOYSA-N 1 0 399.498 4.148 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H](c1ccccc1)C(F)F ZINC000455595437 822680866 /nfs/dbraw/zinc/68/08/66/822680866.db2.gz JVDNHBSQRVTMLD-IBGZPJMESA-N 1 0 375.463 4.286 20 0 GIADRO CCCOc1ccc(C[NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)cc1 ZINC000048748360 822680981 /nfs/dbraw/zinc/68/09/81/822680981.db2.gz MZZLWWMPBUOXOO-UHFFFAOYSA-N 1 0 378.472 4.288 20 0 GIADRO C[C@H]1CCCN(S(=O)(=O)c2ccc(C[NH2+]Cc3ccc(Cl)s3)cc2)C1 ZINC000048746644 822681006 /nfs/dbraw/zinc/68/10/06/822681006.db2.gz POXQGMXTYTXBNL-AWEZNQCLSA-N 1 0 398.981 4.112 20 0 GIADRO COc1ccc(C)cc1C[NH2+]Cc1ccc(Oc2c(OC)cccc2OC)nc1 ZINC000048749688 822681164 /nfs/dbraw/zinc/68/11/64/822681164.db2.gz PEUNTGXOXJNNMD-UHFFFAOYSA-N 1 0 394.471 4.498 20 0 GIADRO COc1cc(Cl)ccc1C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180435961 822681223 /nfs/dbraw/zinc/68/12/23/822681223.db2.gz HCKOOPVMGWZGPS-UHFFFAOYSA-N 1 0 387.911 4.122 20 0 GIADRO Clc1ccc(C2(C[NH2+]C3CCN(c4nccs4)CC3)CCOCC2)cc1 ZINC000180435995 822681267 /nfs/dbraw/zinc/68/12/67/822681267.db2.gz ZXCOYBIVPMEMPW-UHFFFAOYSA-N 1 0 391.968 4.103 20 0 GIADRO COc1cccc(C[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c1OC ZINC000048752052 822681408 /nfs/dbraw/zinc/68/14/08/822681408.db2.gz MFYBXUXQBWGWCF-UHFFFAOYSA-N 1 0 391.393 4.198 20 0 GIADRO CC(C)Oc1ncccc1C[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000048760517 822681607 /nfs/dbraw/zinc/68/16/07/822681607.db2.gz BKIQITBYWZQECQ-ZDUSSCGKSA-N 1 0 396.272 4.324 20 0 GIADRO CN(C)[C@@H](C[NH2+]Cc1ccccc1OCc1cccnc1)c1ccc(F)cc1 ZINC000048777773 822682442 /nfs/dbraw/zinc/68/24/42/822682442.db2.gz KCEWCXJDDRTDHF-QFIPXVFZSA-N 1 0 379.479 4.192 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(Cl)cc1Cl)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000048780435 822682886 /nfs/dbraw/zinc/68/28/86/822682886.db2.gz HFNYOJVMZLUZOZ-GFCCVEGCSA-N 1 0 387.332 4.095 20 0 GIADRO C[C@H](C[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1)Cn1cccn1 ZINC000048785096 822683094 /nfs/dbraw/zinc/68/30/94/822683094.db2.gz NMLLSJIASZSSTA-MRXNPFEDSA-N 1 0 382.895 4.215 20 0 GIADRO COc1ccccc1SC[C@H](C)C[NH2+]C1CCN(Cc2cccnc2)CC1 ZINC000180445286 822683144 /nfs/dbraw/zinc/68/31/44/822683144.db2.gz UOBBMGMIMKINPZ-GOSISDBHSA-N 1 0 385.577 4.073 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC000180444893 822683209 /nfs/dbraw/zinc/68/32/09/822683209.db2.gz RCTFLBZMGRIONJ-LEWJYISDSA-N 1 0 399.485 4.228 20 0 GIADRO CCNC(=O)c1cccc(C[NH2+]Cc2ccc(OCc3csc(C)n3)cc2)c1 ZINC000048816259 822684191 /nfs/dbraw/zinc/68/41/91/822684191.db2.gz JBVHMJBHGRZYMI-UHFFFAOYSA-N 1 0 395.528 4.070 20 0 GIADRO C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 ZINC000180449327 822684302 /nfs/dbraw/zinc/68/43/02/822684302.db2.gz IGBPRDGBPZGACV-SBUREZEXSA-N 1 0 395.524 4.106 20 0 GIADRO CC(=O)Nc1cccc(OCC[NH2+][C@@H](C)c2cccc(-c3ccncc3)c2)c1 ZINC000180449801 822684311 /nfs/dbraw/zinc/68/43/11/822684311.db2.gz JRVZZRYCLSAEDX-KRWDZBQOSA-N 1 0 375.472 4.437 20 0 GIADRO CC(=O)Nc1cccc(OCC[NH2+][C@@H](C)c2ccc(F)cc2Br)c1 ZINC000180449918 822684324 /nfs/dbraw/zinc/68/43/24/822684324.db2.gz BTRDSEKBGHBMRV-LBPRGKRZSA-N 1 0 395.272 4.276 20 0 GIADRO CC1(C(=O)N2CC[C@H](Nc3ccccc3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000184746972 822685398 /nfs/dbraw/zinc/68/53/98/822685398.db2.gz AKOVMNMRXDUMOJ-QFIPXVFZSA-N 1 0 377.532 4.002 20 0 GIADRO COc1cccc2[nH]cc(CC[NH2+]Cc3ccc(OC[C@H]4CCCO4)cc3)c21 ZINC000180456452 822685671 /nfs/dbraw/zinc/68/56/71/822685671.db2.gz CWXQVRZYXIOSFI-HXUWFJFHSA-N 1 0 380.488 4.067 20 0 GIADRO COc1cccc2[nH]cc(CC[NH2+]Cc3ccc(OC[C@@H]4CCCO4)cc3)c21 ZINC000180456433 822685787 /nfs/dbraw/zinc/68/57/87/822685787.db2.gz CWXQVRZYXIOSFI-FQEVSTJZSA-N 1 0 380.488 4.067 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)Nc2cc(Cl)ccc2OC(F)(F)F)CC[N@@H+]1C ZINC000455633254 822687365 /nfs/dbraw/zinc/68/73/65/822687365.db2.gz CCUOPBCBHQUBPI-ZYHUDNBSSA-N 1 0 379.810 4.185 20 0 GIADRO CCC[C@@H]1C[C@H](C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CCO1 ZINC000180471522 822687776 /nfs/dbraw/zinc/68/77/76/822687776.db2.gz YLYPZEMUZMZGNT-SSGKUCQKSA-N 1 0 384.564 4.095 20 0 GIADRO C[C@@H]1C[C@@H]1c1ccc(C[NH+]2CCC(OCCCNC(=O)OC(C)(C)C)CC2)o1 ZINC000180472682 822687911 /nfs/dbraw/zinc/68/79/11/822687911.db2.gz IXEBPCRGYLPJAC-APWZRJJASA-N 1 0 392.540 4.299 20 0 GIADRO C[C@H]1C[C@H]1c1ccc(C[NH+]2CCC(OCCCNC(=O)OC(C)(C)C)CC2)o1 ZINC000180472734 822687943 /nfs/dbraw/zinc/68/79/43/822687943.db2.gz IXEBPCRGYLPJAC-QFBILLFUSA-N 1 0 392.540 4.299 20 0 GIADRO O=C1Nc2ccccc2C12CCC([NH2+]Cc1sccc1Br)CC2 ZINC000180479901 822688770 /nfs/dbraw/zinc/68/87/70/822688770.db2.gz UQEMYTDKULZJSP-UHFFFAOYSA-N 1 0 391.334 4.433 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCc1ccc(Cl)cn1 ZINC000180490978 822690627 /nfs/dbraw/zinc/69/06/27/822690627.db2.gz DYTDBPCTSRAHAJ-MRXNPFEDSA-N 1 0 386.927 4.109 20 0 GIADRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CC(=O)NC(C3CC3)C3CC3)s2)cc1 ZINC000184785664 822690752 /nfs/dbraw/zinc/69/07/52/822690752.db2.gz UZNGUIGKDKWPFF-ZDUSSCGKSA-N 1 0 399.560 4.083 20 0 GIADRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]C[C@@H](O)c3ccc(C#N)cc3)s2)cc1 ZINC000184787954 822690897 /nfs/dbraw/zinc/69/08/97/822690897.db2.gz UKZBYDQTBGVJEB-JLTOFOAXSA-N 1 0 393.512 4.383 20 0 GIADRO O=C(NNc1cc[nH+]cc1)c1ccccc1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000180500922 822691859 /nfs/dbraw/zinc/69/18/59/822691859.db2.gz PCCFYCLNJMHGMR-UHFFFAOYSA-N 1 0 386.238 4.376 20 0 GIADRO CC(C)OCc1c2ccccc2oc1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000049073282 822692239 /nfs/dbraw/zinc/69/22/39/822692239.db2.gz STJJEBHMEWRRQP-UHFFFAOYSA-N 1 0 384.520 4.306 20 0 GIADRO COc1cc(OC)c(CC[NH2+][C@@H](c2ccccc2)c2ccccn2)c(OC)c1 ZINC000180504254 822692372 /nfs/dbraw/zinc/69/23/72/822692372.db2.gz GMQZILIAGFSFQQ-QHCPKHFHSA-N 1 0 378.472 4.029 20 0 GIADRO CC[NH+](CC)CC1CCN(C(=O)c2cnn(-c3ccc(Cl)cc3)c2C)CC1 ZINC000049078397 822692382 /nfs/dbraw/zinc/69/23/82/822692382.db2.gz AEBZNUZJTLUXNV-UHFFFAOYSA-N 1 0 388.943 4.028 20 0 GIADRO CC[NH+](CC)CC1CCN(C(=O)C2(c3ccc(Br)cc3)CC2)CC1 ZINC000049077849 822692416 /nfs/dbraw/zinc/69/24/16/822692416.db2.gz QHVBKINHYBCDRX-UHFFFAOYSA-N 1 0 393.369 4.061 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)Nc2ccc([C@@H]3CCOC3)cc2)[NH+]2CCCC2)o1 ZINC000455657629 822692934 /nfs/dbraw/zinc/69/29/34/822692934.db2.gz DKHIWQRKDOHPEH-UYAOXDASSA-N 1 0 383.492 4.051 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]CCCc2ccc(Cl)cc2)c1 ZINC000180506362 822693071 /nfs/dbraw/zinc/69/30/71/822693071.db2.gz SDMGDOOMPDLACH-OAHLLOKOSA-N 1 0 390.911 4.297 20 0 GIADRO COc1ccc([C@H](C)[NH2+]Cc2cc(Br)c(OC)c(OC)c2)c(F)c1 ZINC000180507587 822693247 /nfs/dbraw/zinc/69/32/47/822693247.db2.gz ZSCKAPDWGMMNFY-NSHDSACASA-N 1 0 398.272 4.465 20 0 GIADRO C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)Nc1ccnn1CC[NH+](C)C ZINC000455662069 822694077 /nfs/dbraw/zinc/69/40/77/822694077.db2.gz UWZNGGVOVZMEHF-GOSISDBHSA-N 1 0 391.519 4.337 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(OCC(F)F)c1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000180529105 822696685 /nfs/dbraw/zinc/69/66/85/822696685.db2.gz KLVHANNUDAQODA-AWEZNQCLSA-N 1 0 389.446 4.465 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(OCC(F)F)c1)c1cccc(N2CCOC2=O)c1 ZINC000180529168 822696923 /nfs/dbraw/zinc/69/69/23/822696923.db2.gz YHFYGUPHIUHEDV-CQSZACIVSA-N 1 0 376.403 4.138 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1ccc2cc[nH]c2c1)c1cccc(C(F)(F)F)c1 ZINC000184831383 822696988 /nfs/dbraw/zinc/69/69/88/822696988.db2.gz TZWTXTSHSJCWHN-SFHVURJKSA-N 1 0 375.394 4.219 20 0 GIADRO NC(=O)c1cccc(CC[NH2+][C@H]2CCCc3nc(-c4ccccc4F)sc32)c1 ZINC000180532217 822697384 /nfs/dbraw/zinc/69/73/84/822697384.db2.gz SBTSMBUNAVLFSK-SFHVURJKSA-N 1 0 395.503 4.258 20 0 GIADRO CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000184845813 822699606 /nfs/dbraw/zinc/69/96/06/822699606.db2.gz DWBAYABHZBSXDV-HSZRJFAPSA-N 1 0 394.559 4.179 20 0 GIADRO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1cn(C)c2ccccc12 ZINC000184847484 822699868 /nfs/dbraw/zinc/69/98/68/822699868.db2.gz VLMXZYIAWPUHAO-GOSISDBHSA-N 1 0 375.516 4.063 20 0 GIADRO Cc1cc(Br)c(NC(=O)C[N@@H+](C)CC(C)C)c(Br)c1 ZINC000049442763 822700721 /nfs/dbraw/zinc/70/07/21/822700721.db2.gz WXQPXLYYWDZNPW-UHFFFAOYSA-N 1 0 392.135 4.046 20 0 GIADRO COCC[C@@](C)(O)C[NH2+][C@@H](c1ccccc1)c1cc(Br)ccc1F ZINC000180556573 822701810 /nfs/dbraw/zinc/70/18/10/822701810.db2.gz CFIYGLOYYJZQGT-RBUKOAKNSA-N 1 0 396.300 4.055 20 0 GIADRO COCC[C@@](C)(O)C[NH2+][C@@H](c1ccccc1)c1ccc(Br)cc1F ZINC000180557682 822702044 /nfs/dbraw/zinc/70/20/44/822702044.db2.gz UBHDXZVYCWVKNY-RBUKOAKNSA-N 1 0 396.300 4.055 20 0 GIADRO COCC[C@](C)(O)C[NH2+][C@H](c1ccccc1)c1ccc(Br)cc1F ZINC000180557737 822702133 /nfs/dbraw/zinc/70/21/33/822702133.db2.gz UBHDXZVYCWVKNY-MOPGFXCFSA-N 1 0 396.300 4.055 20 0 GIADRO C[C@@H](CC(=O)c1ccccc1)NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000184864626 822702932 /nfs/dbraw/zinc/70/29/32/822702932.db2.gz HPBQSIAXHMPFIQ-IBGZPJMESA-N 1 0 378.516 4.066 20 0 GIADRO O[C@H](C[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1)COCc1cccs1 ZINC000180569037 822703947 /nfs/dbraw/zinc/70/39/47/822703947.db2.gz QPZCHEHOXGATFS-GDBMZVCRSA-N 1 0 377.403 4.048 20 0 GIADRO CC(C)CC[NH+]1CCC(CNC(=O)Nc2nc(CC(F)(F)F)cs2)CC1 ZINC000455693997 822704055 /nfs/dbraw/zinc/70/40/55/822704055.db2.gz BKLOFQUKOIRKEB-UHFFFAOYSA-N 1 0 392.491 4.128 20 0 GIADRO O[C@H](C[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1)COCc1ccccc1F ZINC000180573449 822704698 /nfs/dbraw/zinc/70/46/98/822704698.db2.gz HDQXCDHNLMADSX-AEFFLSMTSA-N 1 0 389.364 4.126 20 0 GIADRO Fc1ccc(C(NC2CC[NH+](C[C@@H]3CCOC3)CC2)c2ccc(F)cc2)cc1 ZINC000180576363 822705347 /nfs/dbraw/zinc/70/53/47/822705347.db2.gz LVNFHBMWPIZMFN-KRWDZBQOSA-N 1 0 386.486 4.145 20 0 GIADRO O[C@H](C[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1)COc1cccc2[nH]ccc21 ZINC000180580809 822705986 /nfs/dbraw/zinc/70/59/86/822705986.db2.gz ZBBJXIUZRDUOAK-QAPCUYQASA-N 1 0 396.384 4.330 20 0 GIADRO CC[N@H+](Cc1cc(=O)oc2cc(NC(C)=O)ccc12)[C@H](C)c1ccc(C#N)cc1 ZINC000049771091 822708785 /nfs/dbraw/zinc/70/87/85/822708785.db2.gz BQLUVWQYPFLJKK-OAHLLOKOSA-N 1 0 389.455 4.206 20 0 GIADRO COc1ccc(Br)c(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c1 ZINC000180602412 822709431 /nfs/dbraw/zinc/70/94/31/822709431.db2.gz LNRONUGLYIVVJC-YOEHRIQHSA-N 1 0 380.282 4.139 20 0 GIADRO CCN(Cc1ccccc1)C(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000049790137 822709526 /nfs/dbraw/zinc/70/95/26/822709526.db2.gz JETJVJMMPVLQTE-OAQYLSRUSA-N 1 0 381.520 4.064 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)N(Cc1ccccc1)C1CC1)[NH+]1CCCC1 ZINC000049790082 822709542 /nfs/dbraw/zinc/70/95/42/822709542.db2.gz DZCAKSAXZWOLGL-JOCHJYFZSA-N 1 0 393.531 4.206 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)N(C)Cc1c(C)noc1C)c1ccccc1Cl ZINC000049794754 822709868 /nfs/dbraw/zinc/70/98/68/822709868.db2.gz WZZYFBIKNMCUGS-IBGZPJMESA-N 1 0 392.931 4.169 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)N(Cc3cccc(F)c3)C3CC3)c2)CC1 ZINC000184898881 822709845 /nfs/dbraw/zinc/70/98/45/822709845.db2.gz SRSDLBMBAQBFHD-UHFFFAOYSA-N 1 0 396.510 4.164 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)Nc2ccc(NC(=O)OC)c(F)c2)cc1)C(C)C ZINC000180607383 822711203 /nfs/dbraw/zinc/71/12/03/822711203.db2.gz DAEKUVYWMOAUHP-UHFFFAOYSA-N 1 0 387.455 4.487 20 0 GIADRO CC(C)N(C(=O)C[NH2+][C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1)C(C)C ZINC000180609241 822711578 /nfs/dbraw/zinc/71/15/78/822711578.db2.gz BMNXYFQBOBHWKE-KRWDZBQOSA-N 1 0 399.510 4.374 20 0 GIADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)Nc1cn(C)nc1C1CCCCC1)c1ccco1 ZINC000455718069 822712389 /nfs/dbraw/zinc/71/23/89/822712389.db2.gz LLSONIVFNVMQBK-RDJZCZTQSA-N 1 0 387.528 4.312 20 0 GIADRO C[C@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)C[C@@H]1n1ccnc1 ZINC000180612749 822712543 /nfs/dbraw/zinc/71/25/43/822712543.db2.gz IGEKUHHCZKCPMY-CVDCTZTESA-N 1 0 398.514 4.214 20 0 GIADRO CC[NH+](CC)CCN(CC(C)C)C(=O)Nc1cn(C)nc1C1CCCCC1 ZINC000455720069 822713018 /nfs/dbraw/zinc/71/30/18/822713018.db2.gz UUVKHPOJBUNZDW-UHFFFAOYSA-N 1 0 377.577 4.300 20 0 GIADRO Cc1ccc(Cl)cc1NC(=O)[C@H](C)N1CC[NH+](CC2CCCCC2)CC1 ZINC000049982038 822713143 /nfs/dbraw/zinc/71/31/43/822713143.db2.gz BRROODHFIRKGSP-KRWDZBQOSA-N 1 0 377.960 4.173 20 0 GIADRO C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N1CC[NH+](CC2CCCCC2)CC1 ZINC000049982002 822713149 /nfs/dbraw/zinc/71/31/49/822713149.db2.gz UUXUPFGFHDWMAZ-MRXNPFEDSA-N 1 0 397.485 4.230 20 0 GIADRO CC(C)CN(C(=O)[C@@H]1C[C@H]1c1cccc(Br)c1)C1CC[NH+](C)CC1 ZINC000049993610 822713358 /nfs/dbraw/zinc/71/33/58/822713358.db2.gz CNMUDTUGCXTXPF-RBUKOAKNSA-N 1 0 393.369 4.131 20 0 GIADRO Cc1nc(Cc2ccccc2)sc1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000050009150 822713917 /nfs/dbraw/zinc/71/39/17/822713917.db2.gz OXMBAVSGPBNZQA-UHFFFAOYSA-N 1 0 383.561 4.133 20 0 GIADRO COc1ccc([C@@H]2CCCN2C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000050026782 822714810 /nfs/dbraw/zinc/71/48/10/822714810.db2.gz UPZXDHLWSXLQNV-GMAHTHKFSA-N 1 0 378.516 4.271 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)Nc2ccccc2OCCF)CC1 ZINC000455726961 822715035 /nfs/dbraw/zinc/71/50/35/822715035.db2.gz VJFRGISIBWNZQX-UHFFFAOYSA-N 1 0 379.520 4.401 20 0 GIADRO Cc1ccc(NC(=O)C(C)C)cc1NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000050032031 822715233 /nfs/dbraw/zinc/71/52/33/822715233.db2.gz RDQDDCXBIYDPST-FQEVSTJZSA-N 1 0 393.531 4.440 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccccc1OCCF ZINC000455727734 822715335 /nfs/dbraw/zinc/71/53/35/822715335.db2.gz XZHXGQCTGOVAMK-MJGOQNOKSA-N 1 0 385.483 4.067 20 0 GIADRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)Nc1cccc(OC(F)F)c1 ZINC000050055701 822716287 /nfs/dbraw/zinc/71/62/87/822716287.db2.gz OXSDOCMCSOMATJ-CQSZACIVSA-N 1 0 395.475 4.383 20 0 GIADRO Cc1sc([C@@H](C)[NH2+]C[C@@H](C)CS(C)(=O)=O)nc1-c1ccc(Cl)cc1 ZINC000184947255 822717018 /nfs/dbraw/zinc/71/70/18/822717018.db2.gz AYOOZEBLDBLQGP-VXGBXAGGSA-N 1 0 386.970 4.103 20 0 GIADRO Cc1ccc(F)c(Br)c1NC(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000455742595 822718189 /nfs/dbraw/zinc/71/81/89/822718189.db2.gz BZZJUCZMEAVARD-UHFFFAOYSA-N 1 0 388.325 4.479 20 0 GIADRO C[C@H]([NH2+]CC[C@H]1CCOC1=O)c1nc(-c2ccc(Br)cc2)cs1 ZINC000184960065 822718764 /nfs/dbraw/zinc/71/87/64/822718764.db2.gz TWMNUDMVJXOBES-AAEUAGOBSA-N 1 0 395.322 4.176 20 0 GIADRO CN(C(=O)Nc1ccc2c(c1)CCCC2)C1CC[NH+](CCc2ccccn2)CC1 ZINC000455746467 822718874 /nfs/dbraw/zinc/71/88/74/822718874.db2.gz VBAZHOIFQSOOKE-UHFFFAOYSA-N 1 0 392.547 4.131 20 0 GIADRO CCCn1ncc(NC(=O)N[C@H]2CCCC[C@@H]2C[NH+](CC)CC)c1C1CC1 ZINC000455746407 822718897 /nfs/dbraw/zinc/71/88/97/822718897.db2.gz DZCGYGKORKTGKH-MSOLQXFVSA-N 1 0 375.561 4.193 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2c(C)ccc(F)c2Br)C[C@@H]1C ZINC000455753418 822720002 /nfs/dbraw/zinc/72/00/02/822720002.db2.gz PPCCFRIIDADIMB-STQMWFEESA-N 1 0 386.309 4.233 20 0 GIADRO Cn1cc(-c2cc(C[NH+]3CCC(c4nc5ccccc5s4)CC3)on2)cn1 ZINC000184979618 822721124 /nfs/dbraw/zinc/72/11/24/822721124.db2.gz TXTULNHJSMXGPU-UHFFFAOYSA-N 1 0 379.489 4.064 20 0 GIADRO CCCn1ncc(NC(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1C1CC1 ZINC000455761107 822721404 /nfs/dbraw/zinc/72/14/04/822721404.db2.gz XPABDJYNRNEQTP-YLJYHZDGSA-N 1 0 395.551 4.203 20 0 GIADRO CCCn1ncc(NC(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)c1C1CC1 ZINC000455761204 822721648 /nfs/dbraw/zinc/72/16/48/822721648.db2.gz XXAGVTLEGKHFPH-QHCPKHFHSA-N 1 0 395.551 4.347 20 0 GIADRO CC(F)(F)c1ccccc1NC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000455769719 822723059 /nfs/dbraw/zinc/72/30/59/822723059.db2.gz JWJDTITZASHGKG-UHFFFAOYSA-N 1 0 395.494 4.155 20 0 GIADRO C[C@H]([NH2+]C1CCC(O)(c2cccnc2)CC1)c1cccc(Br)c1 ZINC000185006686 822724487 /nfs/dbraw/zinc/72/44/87/822724487.db2.gz SDBWZASNCVDCAB-YCMKEVRSSA-N 1 0 375.310 4.325 20 0 GIADRO O=C(NCCCC[NH+]1CCOCC1)c1cc(Cl)ccc1SC1CCCC1 ZINC000185013208 822725255 /nfs/dbraw/zinc/72/52/55/822725255.db2.gz ZWMADWYOSCVXCO-UHFFFAOYSA-N 1 0 396.984 4.217 20 0 GIADRO C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000185034113 822727472 /nfs/dbraw/zinc/72/74/72/822727472.db2.gz KRIYXPBQYSZIEH-INIZCTEOSA-N 1 0 390.955 4.462 20 0 GIADRO Cn1cc(-c2cc(C[NH+]3CCC(Sc4ccc(Cl)cc4)CC3)on2)cn1 ZINC000185040303 822728147 /nfs/dbraw/zinc/72/81/47/822728147.db2.gz GLFWMXQGOMIRJP-UHFFFAOYSA-N 1 0 388.924 4.485 20 0 GIADRO CC(F)(F)c1ccccc1NC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000455806037 822729701 /nfs/dbraw/zinc/72/97/01/822729701.db2.gz KWCVJWZYJQEJEW-UHFFFAOYSA-N 1 0 383.508 4.281 20 0 GIADRO CC(C)C(=O)c1ccc(NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000455808126 822729985 /nfs/dbraw/zinc/72/99/85/822729985.db2.gz ZTVTVIACPZVULO-UHFFFAOYSA-N 1 0 399.457 4.406 20 0 GIADRO CCCn1ncc(NC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c1C1CC1 ZINC000455839840 822734978 /nfs/dbraw/zinc/73/49/78/822734978.db2.gz WRHNGRDCKHJGCF-HXUWFJFHSA-N 1 0 381.524 4.129 20 0 GIADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2ccn(-c3ccccc3Cl)n2)C1 ZINC000050629619 822735158 /nfs/dbraw/zinc/73/51/58/822735158.db2.gz AWGOOCIJLPEABW-IXDOHACOSA-N 1 0 386.927 4.003 20 0 GIADRO C[C@H](NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)[C@@H]1OCCc2sccc21 ZINC000455841800 822735390 /nfs/dbraw/zinc/73/53/90/822735390.db2.gz FJEDTRRTOYUHTH-VIZZQPHQSA-N 1 0 385.533 4.121 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)NCCc3cccc(C(F)(F)F)n3)ccc21 ZINC000455847849 822736349 /nfs/dbraw/zinc/73/63/49/822736349.db2.gz JGGSLXOVSOENJB-KRWDZBQOSA-N 1 0 392.425 4.014 20 0 GIADRO CN(C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)[C@@H](CO)c1ccc(Cl)cc1 ZINC000455851823 822737072 /nfs/dbraw/zinc/73/70/72/822737072.db2.gz LIXAKDXNGFOQQR-PMACEKPBSA-N 1 0 387.911 4.086 20 0 GIADRO CN(C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)[C@H](CO)c1ccc(Cl)cc1 ZINC000455851825 822737093 /nfs/dbraw/zinc/73/70/93/822737093.db2.gz LIXAKDXNGFOQQR-VQTJNVASSA-N 1 0 387.911 4.086 20 0 GIADRO COCC[N@H+](C)CC[C@@H](NC(=O)Nc1scnc1C(C)C)c1ccccc1 ZINC000455852933 822737384 /nfs/dbraw/zinc/73/73/84/822737384.db2.gz WDSYDUMREHDFRZ-QGZVFWFLSA-N 1 0 390.553 4.098 20 0 GIADRO CC[C@H]([NH2+]C[C@@H](O)COC(c1ccccc1)c1ccccc1)c1nccs1 ZINC000185105973 822737895 /nfs/dbraw/zinc/73/78/95/822737895.db2.gz OBSUCGCVEORUAU-UXHICEINSA-N 1 0 382.529 4.351 20 0 GIADRO C[C@@H](CCO)N(Cc1ccccc1)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455859017 822738359 /nfs/dbraw/zinc/73/83/59/822738359.db2.gz PMYCZVOXTHQDND-JTSKRJEESA-N 1 0 381.520 4.041 20 0 GIADRO CCc1ccc([C@H]2CN(C(=O)Nc3ccc4c(c3)CC[C@H]4[NH+](C)C)CCO2)cc1 ZINC000455859785 822738518 /nfs/dbraw/zinc/73/85/18/822738518.db2.gz PYAOKNFAETVMHZ-DHIUTWEWSA-N 1 0 393.531 4.403 20 0 GIADRO C[C@@](O)(C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)c1cccc(Cl)c1 ZINC000185117079 822739206 /nfs/dbraw/zinc/73/92/06/822739206.db2.gz HLPXVHWKEZSIRO-JOCHJYFZSA-N 1 0 394.906 4.114 20 0 GIADRO COCc1ccc([C@@H]2CCCN2C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)o1 ZINC000455865896 822739418 /nfs/dbraw/zinc/73/94/18/822739418.db2.gz UOBJZBPFFGXCTG-UXHICEINSA-N 1 0 383.492 4.344 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CC(C)(C)O[C@](C)(C(F)(F)F)C3)ccc21 ZINC000455868682 822739880 /nfs/dbraw/zinc/73/98/80/822739880.db2.gz VUOVIOLZRPLABN-LPHOPBHVSA-N 1 0 399.457 4.199 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CCC(CCCn4ccnc4)CC3)ccc21 ZINC000455869699 822740014 /nfs/dbraw/zinc/74/00/14/822740014.db2.gz WMZQAVCMNWWQCB-QFIPXVFZSA-N 1 0 395.551 4.156 20 0 GIADRO Cn1c2ccccc2nc1C(C)(C)NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455869871 822740190 /nfs/dbraw/zinc/74/01/90/822740190.db2.gz WRKOWEGBGFRMLC-IBGZPJMESA-N 1 0 391.519 4.179 20 0 GIADRO CC(C)c1nc([C@H]2CCCN(C(=O)Nc3ccc4c(c3)CC[C@@H]4[NH+](C)C)C2)no1 ZINC000455873789 822740783 /nfs/dbraw/zinc/74/07/83/822740783.db2.gz ABWLWHPTUPRPJI-LPHOPBHVSA-N 1 0 397.523 4.153 20 0 GIADRO Cc1ccccc1-c1ccc(Cl)c(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000455874128 822740785 /nfs/dbraw/zinc/74/07/85/822740785.db2.gz MRIFQTXYESQRPZ-GOSISDBHSA-N 1 0 398.934 4.110 20 0 GIADRO CCc1ccc(NC(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1OC ZINC000455887015 822742577 /nfs/dbraw/zinc/74/25/77/822742577.db2.gz YFETWBGKNMEISW-UHFFFAOYSA-N 1 0 397.519 4.052 20 0 GIADRO O=C(Nc1ccccc1)NC1CC[NH+](Cc2cccc(OC(F)F)c2)CC1 ZINC000050961357 822743444 /nfs/dbraw/zinc/74/34/44/822743444.db2.gz YKROWGYXLGQGMC-UHFFFAOYSA-N 1 0 375.419 4.074 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)NCc3csc(Br)c3)ccc21 ZINC000455892928 822743697 /nfs/dbraw/zinc/74/36/97/822743697.db2.gz CBKOXOVTFRKEHT-HNNXBMFYSA-N 1 0 394.338 4.381 20 0 GIADRO CC(=O)NC1CC[NH+](CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000050991331 822743749 /nfs/dbraw/zinc/74/37/49/822743749.db2.gz CQUDZNWVNKBNLN-UHFFFAOYSA-N 1 0 386.486 4.477 20 0 GIADRO Cc1nc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)sc1Cc1ccccc1F ZINC000455895336 822743979 /nfs/dbraw/zinc/74/39/79/822743979.db2.gz CIRMNJPBOPXCER-XJKSGUPXSA-N 1 0 390.528 4.128 20 0 GIADRO CC(=O)c1ccc2c(c1)CCN(C(=O)Nc1ccc3c(c1)CC[C@H]3[NH+](C)C)CC2 ZINC000455895857 822744103 /nfs/dbraw/zinc/74/41/03/822744103.db2.gz DDPFGLOZHVVVQQ-HSZRJFAPSA-N 1 0 391.515 4.071 20 0 GIADRO CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455896899 822744273 /nfs/dbraw/zinc/74/42/73/822744273.db2.gz DISAQNGJZZRGHI-IFZYUDKTSA-N 1 0 385.483 4.272 20 0 GIADRO O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)C1(C2CCC2)CCC1 ZINC000455896774 822744324 /nfs/dbraw/zinc/74/43/24/822744324.db2.gz FNTLQTGFRMHSDC-UHFFFAOYSA-N 1 0 384.564 4.144 20 0 GIADRO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000051057466 822745100 /nfs/dbraw/zinc/74/51/00/822745100.db2.gz ARYTVEYDUKPSGC-NRFANRHFSA-N 1 0 393.531 4.067 20 0 GIADRO COCCN(C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)[C@@H](C)c1ccccc1 ZINC000455905411 822746111 /nfs/dbraw/zinc/74/61/11/822746111.db2.gz HMFCZXQWUPOGEQ-JTSKRJEESA-N 1 0 381.520 4.477 20 0 GIADRO Cc1nc(C(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)c(-c2ccccc2)o1 ZINC000185182452 822746467 /nfs/dbraw/zinc/74/64/67/822746467.db2.gz IJGATEYZDCYLHU-INIZCTEOSA-N 1 0 390.487 4.000 20 0 GIADRO Cc1ccc(C(=O)NC2CC[NH+](Cc3ccc(OC(F)F)cc3)CC2)s1 ZINC000051098056 822746507 /nfs/dbraw/zinc/74/65/07/822746507.db2.gz QQKWEJAOMMFMEQ-UHFFFAOYSA-N 1 0 380.460 4.052 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)Nc3ccc(O[C@H]4CCOC4)cc3)ccc21 ZINC000455906990 822746551 /nfs/dbraw/zinc/74/65/51/822746551.db2.gz HXPYNRJKJIZWGU-PZJWPPBQSA-N 1 0 381.476 4.047 20 0 GIADRO COc1ccc(OC)c([C@H](O)C[NH+]2CCC(c3nc4ccccc4s3)CC2)c1 ZINC000051122338 822746658 /nfs/dbraw/zinc/74/66/58/822746658.db2.gz PCVWAJYDNYAXQI-LJQANCHMSA-N 1 0 398.528 4.227 20 0 GIADRO CCc1ccc(CNC(=O)C[N@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)s1 ZINC000051132131 822746944 /nfs/dbraw/zinc/74/69/44/822746944.db2.gz FHJJADNMKDLUDR-PGRDOPGGSA-N 1 0 386.561 4.026 20 0 GIADRO Cc1ccccc1C[C@H](C)NC(=O)C[N@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132124 822747085 /nfs/dbraw/zinc/74/70/85/822747085.db2.gz WRVILWZXZFRLEV-GRYUFTJMSA-N 1 0 394.559 4.142 20 0 GIADRO C[N@@H+](CC(=O)Nc1ccnn1C1CCCC1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132978 822747224 /nfs/dbraw/zinc/74/72/24/822747224.db2.gz VRRQQYFHUPBGAN-AUSIDOKSSA-N 1 0 396.535 4.036 20 0 GIADRO C[N@@H+](CC(=O)N[C@@H]1CCCc2ccccc21)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133228 822747441 /nfs/dbraw/zinc/74/74/41/822747441.db2.gz ICTSMZNAZAASNO-GZGNHOFSSA-N 1 0 392.543 4.280 20 0 GIADRO CCOc1ccccc1NC(=O)C[N@H+](C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133434 822747563 /nfs/dbraw/zinc/74/75/63/822747563.db2.gz DDPAYRAECKXNBG-AUSIDOKSSA-N 1 0 382.504 4.124 20 0 GIADRO COc1ccc(-c2noc(C[N@H+](C)C[C@@H]3CCCO[C@@H]3c3ccccc3)n2)cc1 ZINC000051133196 822747566 /nfs/dbraw/zinc/74/75/66/822747566.db2.gz IDTWJFRTRQNNNW-SIKLNZKXSA-N 1 0 393.487 4.345 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N(Cc3ccccc3)C[C@@H]3CCCO3)ccc21 ZINC000455912367 822747867 /nfs/dbraw/zinc/74/78/67/822747867.db2.gz JHQYBTREWWXPNC-JTHBVZDNSA-N 1 0 393.531 4.449 20 0 GIADRO COc1c(C)cnc(C[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c1C ZINC000051189480 822749932 /nfs/dbraw/zinc/74/99/32/822749932.db2.gz DMVIDLZFRJLOTQ-UHFFFAOYSA-N 1 0 390.409 4.201 20 0 GIADRO COc1ccc([C@H](OC)[C@@H](C)NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)cc1 ZINC000455925236 822750504 /nfs/dbraw/zinc/75/05/04/822750504.db2.gz MXQPJKQVMNDDQO-UJUVCNOISA-N 1 0 397.519 4.142 20 0 GIADRO COCCc1nc2cc(NC(=O)Nc3ccc4c(c3)CC[C@H]4[NH+](C)C)ccc2o1 ZINC000455929178 822751257 /nfs/dbraw/zinc/75/12/57/822751257.db2.gz OJUZZXLKOVSJLX-LJQANCHMSA-N 1 0 394.475 4.210 20 0 GIADRO CCCOCc1ccccc1CNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455931777 822751828 /nfs/dbraw/zinc/75/18/28/822751828.db2.gz PQNGOADBFKHEBY-JOCHJYFZSA-N 1 0 381.520 4.484 20 0 GIADRO CN(C)c1ccncc1C[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000185231619 822752398 /nfs/dbraw/zinc/75/23/98/822752398.db2.gz SOMVFYKFSINEHL-UHFFFAOYSA-N 1 0 393.362 4.209 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CC[C@H](Cc4ccc(F)cc4)C3)ccc21 ZINC000455935218 822752760 /nfs/dbraw/zinc/75/27/60/822752760.db2.gz RJEBPTLWTUQSSI-VGOFRKELSA-N 1 0 381.495 4.471 20 0 GIADRO CC[C@@H]1[C@H](C)CCN1C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000455941147 822754042 /nfs/dbraw/zinc/75/40/42/822754042.db2.gz IWMCSOXVNVOJQE-RDTXWAMCSA-N 1 0 379.932 4.465 20 0 GIADRO CCOC(=O)C[C@H](NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)c1ccccc1 ZINC000455942186 822754380 /nfs/dbraw/zinc/75/43/80/822754380.db2.gz UWARSRYQHXIBPJ-SFTDATJTSA-N 1 0 395.503 4.052 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CCO[C@H](c4ccccc4Cl)C3)ccc21 ZINC000455943592 822754760 /nfs/dbraw/zinc/75/47/60/822754760.db2.gz VHFWLXFRLRWREI-SFTDATJTSA-N 1 0 399.922 4.494 20 0 GIADRO C[C@H]1CSCCN(C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)C1 ZINC000455944987 822755202 /nfs/dbraw/zinc/75/52/02/822755202.db2.gz NURUDFCKTRXARJ-CQSZACIVSA-N 1 0 397.972 4.030 20 0 GIADRO COc1ccc([C@H](C)NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)cc1OC ZINC000455946172 822755495 /nfs/dbraw/zinc/75/54/95/822755495.db2.gz WVFVHAIZOWHTMJ-IFXJQAMLSA-N 1 0 383.492 4.135 20 0 GIADRO CC1=C[C@@H](C)CN(C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)C1 ZINC000455946336 822755745 /nfs/dbraw/zinc/75/57/45/822755745.db2.gz PUBPNNHXYJCHGD-CQSZACIVSA-N 1 0 377.916 4.243 20 0 GIADRO C[C@@H]1CCCCN(C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)C1 ZINC000455947087 822755927 /nfs/dbraw/zinc/75/59/27/822755927.db2.gz RAFPHXASNMWITG-OAHLLOKOSA-N 1 0 379.932 4.467 20 0 GIADRO CCCCN(CCOC)C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000455947665 822756117 /nfs/dbraw/zinc/75/61/17/822756117.db2.gz RWLRXQWYYQQDRE-UHFFFAOYSA-N 1 0 397.947 4.093 20 0 GIADRO CCC1(CC)CN(C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)C1 ZINC000455950672 822756697 /nfs/dbraw/zinc/75/66/97/822756697.db2.gz YDXWQSAHLMGJHO-UHFFFAOYSA-N 1 0 379.932 4.467 20 0 GIADRO Cc1ccc([C@@H]([NH2+]Cc2cnc(N3CCOCC3)c(F)c2)c2ccccc2)cc1 ZINC000185267825 822757136 /nfs/dbraw/zinc/75/71/36/822757136.db2.gz SELWXOZVOHNOEN-QHCPKHFHSA-N 1 0 391.490 4.245 20 0 GIADRO C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000185268997 822757228 /nfs/dbraw/zinc/75/72/28/822757228.db2.gz AJXVKVJFKYEXDH-XXBNENTESA-N 1 0 392.547 4.360 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]Cc2cnc(N3CCOCC3)c(F)c2)c2ccccc12 ZINC000185280916 822758840 /nfs/dbraw/zinc/75/88/40/822758840.db2.gz YKMXBWOKPUWBEM-MRXNPFEDSA-N 1 0 395.478 4.070 20 0 GIADRO CC[C@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)c1cccc(Cl)c1 ZINC000185289524 822760200 /nfs/dbraw/zinc/76/02/00/822760200.db2.gz HOSKATDKSCATOK-IBGZPJMESA-N 1 0 378.925 4.121 20 0 GIADRO O=[N+]([O-])c1ccc(C[NH2+]CCCc2nc(-c3ccncc3)cs2)cc1Cl ZINC000185290241 822760386 /nfs/dbraw/zinc/76/03/86/822760386.db2.gz OPEMNOZCPJUJEG-UHFFFAOYSA-N 1 0 388.880 4.489 20 0 GIADRO C[C@@H]([NH2+]C[C@](C)(O)c1cccc(Cl)c1)c1ncc(Br)s1 ZINC000185304179 822762464 /nfs/dbraw/zinc/76/24/64/822762464.db2.gz AMVIZFWAELEQDE-OTYXRUKQSA-N 1 0 375.719 4.117 20 0 GIADRO Cc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)c(O[C@H]2CCOC2)c1 ZINC000185302785 822762434 /nfs/dbraw/zinc/76/24/34/822762434.db2.gz LBXNJDMEIDHZFM-INIZCTEOSA-N 1 0 376.840 4.014 20 0 GIADRO O=C(N[C@H](Cc1ccccc1)c1ccccc1F)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000174284633 822762988 /nfs/dbraw/zinc/76/29/88/822762988.db2.gz USARAQPUZJDUEV-NZQKXSOJSA-N 1 0 395.522 4.237 20 0 GIADRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)C1=CC[C@H](C)CC1 ZINC000455994894 822763500 /nfs/dbraw/zinc/76/35/00/822763500.db2.gz LURKXVVKDAUALZ-LAUBAEHRSA-N 1 0 378.520 4.323 20 0 GIADRO COc1ccc([C@@H]([NH2+]C[C@@H](C)Cc2ccc(OC)c(F)c2)c2nccn2C)cc1 ZINC000185316152 822764603 /nfs/dbraw/zinc/76/46/03/822764603.db2.gz ZVZKRXJNDBDMGD-KSFYIVLOSA-N 1 0 397.494 4.134 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)N[C@@H](C)c2ccc(-c3ccncc3)cc2)CC1 ZINC000174294317 822765218 /nfs/dbraw/zinc/76/52/18/822765218.db2.gz HXFZAXAMXNBBRN-SFHVURJKSA-N 1 0 380.536 4.231 20 0 GIADRO CC[N@@H+](Cc1ccc(OCc2cccs2)c(OC)c1)Cc1ccn(C)c(=O)c1 ZINC000051588789 822767605 /nfs/dbraw/zinc/76/76/05/822767605.db2.gz POLORLQXZWZKIT-UHFFFAOYSA-N 1 0 398.528 4.057 20 0 GIADRO C[NH+](C)CCOc1ccc(CNC(=O)Nc2cccc(CC(F)(F)F)c2)cc1 ZINC000174309902 822768948 /nfs/dbraw/zinc/76/89/48/822768948.db2.gz GEOXYUXQPJAEQO-UHFFFAOYSA-N 1 0 395.425 4.054 20 0 GIADRO Cc1ccc(C(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(C2CC2)n1 ZINC000456045177 822770421 /nfs/dbraw/zinc/77/04/21/822770421.db2.gz FMCPWTDUNCUNKA-DEOSSOPVSA-N 1 0 375.516 4.006 20 0 GIADRO COc1ccc([C@H](NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c2ccc(F)cc2)cc1 ZINC000174324704 822771034 /nfs/dbraw/zinc/77/10/34/822771034.db2.gz IPPNSIAXDLASNG-XUEUYAKLSA-N 1 0 399.510 4.048 20 0 GIADRO COc1ccc([C@H](NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c2ccc(F)cc2)cc1 ZINC000174324659 822771052 /nfs/dbraw/zinc/77/10/52/822771052.db2.gz IPPNSIAXDLASNG-BSLALVQMSA-N 1 0 399.510 4.048 20 0 GIADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2ccc([C@H](C)C(F)(F)F)cc2)cc1 ZINC000456061182 822772689 /nfs/dbraw/zinc/77/26/89/822772689.db2.gz RBDYUVXCAJPLCQ-IFXJQAMLSA-N 1 0 394.437 4.394 20 0 GIADRO C[C@@H](C(=O)Nc1cccc(OCCC[NH+](C)C)c1)c1cn(C)c2ccccc12 ZINC000185379502 822775152 /nfs/dbraw/zinc/77/51/52/822775152.db2.gz PFXIDWLWBNECGR-QGZVFWFLSA-N 1 0 379.504 4.251 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)N2CCC[C@H](CC(=O)OC(C)C)C2)cc1)C(C)C ZINC000185410018 822780290 /nfs/dbraw/zinc/78/02/90/822780290.db2.gz LXRWPCMMEOSCMC-HXUWFJFHSA-N 1 0 388.552 4.111 20 0 GIADRO C[N@H+](Cc1ccccc1)C1(CNC(=O)c2c(Cl)cncc2Cl)CCC1 ZINC000456120096 822780345 /nfs/dbraw/zinc/78/03/45/822780345.db2.gz KGKWLJHUAXADCT-UHFFFAOYSA-N 1 0 378.303 4.173 20 0 GIADRO CC[NH+](CC)CCOc1ccc(C(=O)N2CC[C@@H](C(F)(F)F)C[C@@H]2C)cc1 ZINC000456126853 822781332 /nfs/dbraw/zinc/78/13/32/822781332.db2.gz MVKJAROMTQZFGQ-DOTOQJQBSA-N 1 0 386.458 4.210 20 0 GIADRO CCc1nc(C)c([C@@H](C)N(C)C(=O)NC[C@H](c2ccco2)[NH+](CC)CC)s1 ZINC000174390569 822782518 /nfs/dbraw/zinc/78/25/18/822782518.db2.gz XXJSXSISIKDWOA-HZPDHXFCSA-N 1 0 392.569 4.392 20 0 GIADRO CCc1nc(C)c([C@@H](C)N(C)C(=O)NC[C@@H](c2ccco2)[NH+](CC)CC)s1 ZINC000174390547 822782628 /nfs/dbraw/zinc/78/26/28/822782628.db2.gz XXJSXSISIKDWOA-CVEARBPZSA-N 1 0 392.569 4.392 20 0 GIADRO O=C(CC[NH+]1CCC(C(=O)Nc2ccccc2)CC1)Nc1ccc(Cl)cc1 ZINC000051918104 822783108 /nfs/dbraw/zinc/78/31/08/822783108.db2.gz QPUIGHVGEREPCG-UHFFFAOYSA-N 1 0 385.895 4.019 20 0 GIADRO CC(C)Oc1ccc2ccccc2c1CNC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000185434903 822783410 /nfs/dbraw/zinc/78/34/10/822783410.db2.gz FIMORTRKWCMOSD-LJQANCHMSA-N 1 0 381.520 4.007 20 0 GIADRO CC(C)c1ccccc1NC(=O)CN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174400085 822784522 /nfs/dbraw/zinc/78/45/22/822784522.db2.gz VKLFEFAIFVXNPQ-NRFANRHFSA-N 1 0 379.548 4.202 20 0 GIADRO Cc1ccc(NC(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)c(C)n1 ZINC000185446547 822785273 /nfs/dbraw/zinc/78/52/73/822785273.db2.gz BJVONTKXABPIOG-QGZVFWFLSA-N 1 0 380.414 4.142 20 0 GIADRO CC1(C(=O)N[C@H]2CCOc3ccc(F)cc32)CC[NH+](Cc2ccccc2)CC1 ZINC000185452503 822786241 /nfs/dbraw/zinc/78/62/41/822786241.db2.gz KOCRBFUUJXWMHP-FQEVSTJZSA-N 1 0 382.479 4.068 20 0 GIADRO COc1cc(OC)cc([C@H](O)C[NH2+]Cc2ccc(-c3ccccc3OC)cc2)c1 ZINC000174407711 822786298 /nfs/dbraw/zinc/78/62/98/822786298.db2.gz GLEAFBZHUJBNGD-HSZRJFAPSA-N 1 0 393.483 4.203 20 0 GIADRO C[C@H](O)c1ccc(C[NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)cc1 ZINC000174409342 822786374 /nfs/dbraw/zinc/78/63/74/822786374.db2.gz LSXZEUIFBNTIAC-YWZLYKJASA-N 1 0 375.896 4.241 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)NNc2c(F)cccc2Cl)[C@@H]1c1cccs1 ZINC000185454864 822786465 /nfs/dbraw/zinc/78/64/65/822786465.db2.gz VMADKNSISVOXDT-SJKOYZFVSA-N 1 0 396.919 4.250 20 0 GIADRO Clc1ccc(OC[C@@H]2CCCO2)c(C[NH2+]Cc2ccc(-n3ccnc3)cc2)c1 ZINC000174412015 822786712 /nfs/dbraw/zinc/78/67/12/822786712.db2.gz JELNIVGQGIANDU-NRFANRHFSA-N 1 0 397.906 4.373 20 0 GIADRO Clc1ccc(OC[C@H]2CCCO2)c(C[NH2+]Cc2ccc(-n3ccnc3)cc2)c1 ZINC000174412029 822786717 /nfs/dbraw/zinc/78/67/17/822786717.db2.gz JELNIVGQGIANDU-OAQYLSRUSA-N 1 0 397.906 4.373 20 0 GIADRO Cc1nn(-c2ccccc2)c2sc(C(=O)NC(C)(C)CCC[NH+](C)C)cc12 ZINC000456196753 822787665 /nfs/dbraw/zinc/78/76/65/822787665.db2.gz HWYLUHVYSOWSBW-UHFFFAOYSA-N 1 0 384.549 4.246 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)CCCCc1ccc(Br)cc1 ZINC000456204661 822787969 /nfs/dbraw/zinc/78/79/69/822787969.db2.gz OVXLTRWPHSPFCX-UHFFFAOYSA-N 1 0 383.374 4.399 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccccc1Oc1cccnc1 ZINC000052026235 822788183 /nfs/dbraw/zinc/78/81/83/822788183.db2.gz JGTKMHBAGFYUNO-UHFFFAOYSA-N 1 0 387.483 4.400 20 0 GIADRO Cc1cccn2cc(COc3ccc(C[NH2+]CCCC(C)(C)CO)cc3)nc12 ZINC000174425850 822788438 /nfs/dbraw/zinc/78/84/38/822788438.db2.gz SMVLUWHZLIGUDQ-UHFFFAOYSA-N 1 0 381.520 4.110 20 0 GIADRO Cc1noc(C2CC2)c1NC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000185481635 822789251 /nfs/dbraw/zinc/78/92/51/822789251.db2.gz ZPFXSUXBCSUSCH-OAHLLOKOSA-N 1 0 396.413 4.304 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)C3(c4cccc(F)c4)CCOCC3)ccc21 ZINC000456255366 822790623 /nfs/dbraw/zinc/79/06/23/822790623.db2.gz BYFVXAIDWJAMLA-OAQYLSRUSA-N 1 0 382.479 4.062 20 0 GIADRO C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)c1 ZINC000456261549 822791248 /nfs/dbraw/zinc/79/12/48/822791248.db2.gz FXZKVSUSXTUGIQ-OREJSRFESA-N 1 0 377.488 4.082 20 0 GIADRO Cc1cc(C)n(Cc2cccc(C(=O)Nc3ccc4c(c3)CC[C@@H]4[NH+](C)C)c2)n1 ZINC000456274199 822792587 /nfs/dbraw/zinc/79/25/87/822792587.db2.gz MGPCLIMUWWUTSS-QHCPKHFHSA-N 1 0 388.515 4.349 20 0 GIADRO CC(=O)CCc1ccc(O[C@@H](C)C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)cc1 ZINC000456276752 822792997 /nfs/dbraw/zinc/79/29/97/822792997.db2.gz OBCBCENTUOYLAI-GAJHUEQPSA-N 1 0 394.515 4.163 20 0 GIADRO CN(C)[C@@H](C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)c1c(F)cccc1Cl ZINC000456277474 822793099 /nfs/dbraw/zinc/79/30/99/822793099.db2.gz OKFLOKZYOIBMAD-UYAOXDASSA-N 1 0 389.902 4.269 20 0 GIADRO Brc1ccc(-c2ccc(C[NH2+]CCCOC3CCOCC3)o2)cc1 ZINC000174462644 822793507 /nfs/dbraw/zinc/79/35/07/822793507.db2.gz CYGINMMJTOYYRT-UHFFFAOYSA-N 1 0 394.309 4.384 20 0 GIADRO Cc1cccn2cc(COc3ccc(C[NH2+]CC(C)(C)C[C@@H](C)O)cc3)nc12 ZINC000174463827 822793749 /nfs/dbraw/zinc/79/37/49/822793749.db2.gz TVZKKBHUWANTDF-GOSISDBHSA-N 1 0 381.520 4.108 20 0 GIADRO Cc1ccccc1C1(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CCOCC1 ZINC000456283493 822793970 /nfs/dbraw/zinc/79/39/70/822793970.db2.gz SSYAHCGJXOKVHU-QFIPXVFZSA-N 1 0 378.516 4.231 20 0 GIADRO COc1ccc(C(=O)C[C@H](C)C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)cc1 ZINC000456284815 822794210 /nfs/dbraw/zinc/79/42/10/822794210.db2.gz UHZMIJYFZQJOBS-BTYIYWSLSA-N 1 0 380.488 4.092 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)COc3ccc(Cl)c4cccnc34)ccc21 ZINC000456289679 822794722 /nfs/dbraw/zinc/79/47/22/822794722.db2.gz XSLDEUZYLICEEL-IBGZPJMESA-N 1 0 395.890 4.455 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1c(Cl)cccc1C(F)(F)F)[C@@H]1COc2ccccc21 ZINC000185543139 822795085 /nfs/dbraw/zinc/79/50/85/822795085.db2.gz FRKCBFWMDPULTF-AAEUAGOBSA-N 1 0 398.812 4.452 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)CCc2c[nH]c3ccc(C)cc23)[NH+]2CCCC2)o1 ZINC000174478488 822795184 /nfs/dbraw/zinc/79/51/84/822795184.db2.gz FOZGQXPYEXKDPK-OAQYLSRUSA-N 1 0 379.504 4.264 20 0 GIADRO C[C@H]([NH2+]Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)[C@H]1COc2ccccc21 ZINC000185557110 822796207 /nfs/dbraw/zinc/79/62/07/822796207.db2.gz UIUDQFXQMFJZAK-BLLLJJGKSA-N 1 0 389.377 4.410 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccccc1OC(F)F ZINC000174495659 822796860 /nfs/dbraw/zinc/79/68/60/822796860.db2.gz OXQKTMLAAHJKCT-KRWDZBQOSA-N 1 0 389.446 4.274 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)CSCc2ccc(Cl)cc2Cl)C1 ZINC000174501253 822797509 /nfs/dbraw/zinc/79/75/09/822797509.db2.gz XGJUWBSYUVXCFZ-CYBMUJFWSA-N 1 0 375.365 4.027 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(-c3ccccc3)nc3cc(F)ccc32)C1 ZINC000174501187 822797523 /nfs/dbraw/zinc/79/75/23/822797523.db2.gz VZVFRDHVOKJYPB-QGZVFWFLSA-N 1 0 391.490 4.455 20 0 GIADRO COc1ccc(-c2nc(C[NH2+][C@H](C)[C@@H]3COc4ccccc43)cs2)cc1OC ZINC000185575052 822798180 /nfs/dbraw/zinc/79/81/80/822798180.db2.gz VJSQQYOSJZRYNC-KDOFPFPSSA-N 1 0 396.512 4.482 20 0 GIADRO C[C@H]1CN(C(=O)CCc2ccnc3ccccc23)CC[N@H+](Cc2ccccc2)C1 ZINC000456324347 822798475 /nfs/dbraw/zinc/79/84/75/822798475.db2.gz FKGBJCLAGBURKV-HXUWFJFHSA-N 1 0 387.527 4.148 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(SCc3csc(C)n3)cc2)C1 ZINC000174509194 822798698 /nfs/dbraw/zinc/79/86/98/822798698.db2.gz DZPUJIBKGPGTBK-INIZCTEOSA-N 1 0 389.590 4.158 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Nc1cccc(Oc2ccccn2)c1)c1ccccc1 ZINC000174509424 822798708 /nfs/dbraw/zinc/79/87/08/822798708.db2.gz JQTRTHNDJXHRHH-FQEVSTJZSA-N 1 0 376.460 4.298 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2sc(-c3ccco3)nc2-c2ccccc2)C1 ZINC000174509940 822799026 /nfs/dbraw/zinc/79/90/26/822799026.db2.gz LWXJEHZQGJLTJM-INIZCTEOSA-N 1 0 395.528 4.484 20 0 GIADRO COc1cccc(C(=O)CCCC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)c1 ZINC000456337455 822799840 /nfs/dbraw/zinc/79/98/40/822799840.db2.gz WWPGKNJEYDRUSH-OAQYLSRUSA-N 1 0 380.488 4.236 20 0 GIADRO C[C@H]1CCc2c(sc3ncnc(NC4CC[NH+](Cc5ccncc5)CC4)c23)C1 ZINC000052447754 822799989 /nfs/dbraw/zinc/79/99/89/822799989.db2.gz OXVDWHQLDIASLE-HNNXBMFYSA-N 1 0 393.560 4.288 20 0 GIADRO C[C@H]([NH2+]Cc1nc(-c2cccc(C(F)(F)F)c2)no1)[C@H]1COc2ccccc21 ZINC000185597999 822800608 /nfs/dbraw/zinc/80/06/08/822800608.db2.gz GWHSOYDFKBCUPM-BLLLJJGKSA-N 1 0 389.377 4.410 20 0 GIADRO COc1ccc(-c2nc(C[N@H+]3CCCN(c4ccc(OC)cc4)CC3)co2)cc1 ZINC000052466118 822800797 /nfs/dbraw/zinc/80/07/97/822800797.db2.gz GYQZZHFKQXDUMF-UHFFFAOYSA-N 1 0 393.487 4.071 20 0 GIADRO COc1ccc(N2CCC[N@@H+]([C@@H](C)c3nnc(-c4cccc(C)c4)o3)CC2)cc1 ZINC000052466557 822800853 /nfs/dbraw/zinc/80/08/53/822800853.db2.gz XTXFJPUUXWERJB-SFHVURJKSA-N 1 0 392.503 4.327 20 0 GIADRO CCC[C@@H](CCO)CNC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000174526184 822801012 /nfs/dbraw/zinc/80/10/12/822801012.db2.gz SPMCWRNYQORYNS-SFHVURJKSA-N 1 0 375.557 4.371 20 0 GIADRO C[C@@H]1CN(C(=O)c2cccc([C@H]3CCCOC3)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000456352564 822801507 /nfs/dbraw/zinc/80/15/07/822801507.db2.gz YERXNPCNJONZRQ-RDPSFJRHSA-N 1 0 392.543 4.175 20 0 GIADRO C[C@@](O)(C[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1)c1ccco1 ZINC000174530125 822801862 /nfs/dbraw/zinc/80/18/62/822801862.db2.gz SJDQJPWTAJFVQS-OAQYLSRUSA-N 1 0 384.863 4.183 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)[C@@H]1COc2ccccc21 ZINC000185610830 822801990 /nfs/dbraw/zinc/80/19/90/822801990.db2.gz XNTFHIJDIVRKPJ-FZMZJTMJSA-N 1 0 396.821 4.034 20 0 GIADRO CC(C)(C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)c1cccc(C(F)(F)F)c1 ZINC000174536102 822802478 /nfs/dbraw/zinc/80/24/78/822802478.db2.gz IBZCYCLIYIRHKB-MRXNPFEDSA-N 1 0 382.470 4.317 20 0 GIADRO COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)NCC(C)(C)[NH+](C)C)cc1 ZINC000052551899 822803342 /nfs/dbraw/zinc/80/33/42/822803342.db2.gz ZHEARXBUQWOZHX-UHFFFAOYSA-N 1 0 393.531 4.233 20 0 GIADRO Cc1ccc(-c2nc(C(=O)N3CC[C@@H](C[NH+]4CCCCC4)C3)cs2)c(C)c1 ZINC000174546144 822803345 /nfs/dbraw/zinc/80/33/45/822803345.db2.gz IAURNQGAIPUFCS-SFHVURJKSA-N 1 0 383.561 4.375 20 0 GIADRO O=C(c1csc(-c2ccccc2Cl)n1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174545571 822803359 /nfs/dbraw/zinc/80/33/59/822803359.db2.gz GKAHHFBXNTVOCA-OAHLLOKOSA-N 1 0 389.952 4.412 20 0 GIADRO O=C(N1CC[C@H](C[NH+]2CCCCC2)C1)C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000174545545 822803392 /nfs/dbraw/zinc/80/33/92/822803392.db2.gz KSEWMKGQENXILQ-MRXNPFEDSA-N 1 0 380.454 4.071 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1)[C@H]1COc2ccccc21 ZINC000185625191 822803741 /nfs/dbraw/zinc/80/37/41/822803741.db2.gz JRDXKLFEWWBGHU-CZUORRHYSA-N 1 0 393.314 4.106 20 0 GIADRO CC[NH+](CC)[C@H](C(=O)N[C@H]1C[C@H](C)n2ccnc21)c1cccc(C(F)(F)F)c1 ZINC000456398696 822804473 /nfs/dbraw/zinc/80/44/73/822804473.db2.gz UJGSNXDNHXIKIX-JQFCIGGWSA-N 1 0 394.441 4.107 20 0 GIADRO COc1cccc(Nc2ccccc2C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000174558671 822804918 /nfs/dbraw/zinc/80/49/18/822804918.db2.gz URXPKDYOVPPPTL-IBGZPJMESA-N 1 0 393.531 4.387 20 0 GIADRO Cc1ccc(NCc2cc(Cl)cc(C)c2O)cc1NC(=O)CC[NH+](C)C ZINC000185636380 822805079 /nfs/dbraw/zinc/80/50/79/822805079.db2.gz TXNNVQUNOHHMKB-UHFFFAOYSA-N 1 0 375.900 4.165 20 0 GIADRO C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1cn(C)c2ccccc12 ZINC000185643946 822806074 /nfs/dbraw/zinc/80/60/74/822806074.db2.gz HKECGWLAQRKDEP-DYXWJJEUSA-N 1 0 389.543 4.451 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]CC(=O)N(c1ccccc1)C(C)C ZINC000185649104 822806591 /nfs/dbraw/zinc/80/65/91/822806591.db2.gz WUODHMOEOFXIGE-CQSZACIVSA-N 1 0 396.457 4.154 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]CCOc1ccccc1Cl ZINC000185653624 822806998 /nfs/dbraw/zinc/80/69/98/822806998.db2.gz ROINRVMWMBVTNQ-LLVKDONJSA-N 1 0 375.822 4.445 20 0 GIADRO CCN(C(=O)[C@H](C)[NH2+][C@H](C)c1c(C)nn(CC(F)(F)F)c1C)c1ccccc1 ZINC000185653171 822807001 /nfs/dbraw/zinc/80/70/01/822807001.db2.gz VMHCEBKLQXBWTD-HIFRSBDPSA-N 1 0 396.457 4.154 20 0 GIADRO CCOC(=O)C1CCC([NH2+]Cc2cc3cc(Br)ccc3[nH]2)CC1 ZINC000185659358 822807712 /nfs/dbraw/zinc/80/77/12/822807712.db2.gz WNRRFXRKRLEYOU-UHFFFAOYSA-N 1 0 379.298 4.142 20 0 GIADRO COc1ccc(C[NH2+]C[C@@H](C)Oc2cccc(F)c2)cc1OCc1cccnc1 ZINC000174581124 822808019 /nfs/dbraw/zinc/80/80/19/822808019.db2.gz OLYAPNFQLZTDSL-QGZVFWFLSA-N 1 0 396.462 4.365 20 0 GIADRO C[N@H+](CCSc1nnc(-c2cccnc2)n1C1CC1)Cc1ccc(F)cc1 ZINC000185684908 822809956 /nfs/dbraw/zinc/80/99/56/822809956.db2.gz VCHXUABEHDLEKQ-UHFFFAOYSA-N 1 0 383.496 4.038 20 0 GIADRO COc1ccc(-n2c(C[N@H+](C[C@@H]3CCOC3)C3CC3)nc3ccccc32)cc1 ZINC000052774596 822810113 /nfs/dbraw/zinc/81/01/13/822810113.db2.gz SBQKHHILLKZWIP-KRWDZBQOSA-N 1 0 377.488 4.035 20 0 GIADRO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+]([C@@H](C)c3ncc(-c4ccccc4)o3)C2)nc1 ZINC000174605632 822811439 /nfs/dbraw/zinc/81/14/39/822811439.db2.gz XBTGILMWNRQEPA-HKUYNNGSSA-N 1 0 390.487 4.457 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)N3Cc4ccccc4C[C@H]3C)c(C)c2)CC1 ZINC000174607754 822811805 /nfs/dbraw/zinc/81/18/05/822811805.db2.gz RQSVBISOXHMVDA-LJQANCHMSA-N 1 0 392.547 4.116 20 0 GIADRO C[C@@H](CC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)Cc1cccc(F)c1 ZINC000174612746 822812535 /nfs/dbraw/zinc/81/25/35/822812535.db2.gz ADRHVBZZQOGGQX-DENIHFKCSA-N 1 0 382.523 4.075 20 0 GIADRO CCc1cnc(CC[NH2+]Cc2ccc(OCc3ccncc3)c(OC)c2)s1 ZINC000174624116 822813932 /nfs/dbraw/zinc/81/39/32/822813932.db2.gz CHCOXOQKBVTYDJ-UHFFFAOYSA-N 1 0 383.517 4.020 20 0 GIADRO CC[NH+]1CCN(Cc2ccc(NC(=O)[C@@H]3CCC[C@@H](C(F)(F)F)C3)cc2)CC1 ZINC000052877306 822813918 /nfs/dbraw/zinc/81/39/18/822813918.db2.gz SVIFRILWUHCIQC-QZTJIDSGSA-N 1 0 397.485 4.131 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(c2ncccc2Cl)C1)c1ccc(Br)cc1O ZINC000185719164 822814018 /nfs/dbraw/zinc/81/40/18/822814018.db2.gz RPHQQIHCXBMKIW-WCQYABFASA-N 1 0 396.716 4.133 20 0 GIADRO C[C@@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000174625294 822814173 /nfs/dbraw/zinc/81/41/73/822814173.db2.gz PBKLIGDEAJFOKS-HDICACEKSA-N 1 0 393.531 4.119 20 0 GIADRO CC(C)(C)[C@H](NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000174629248 822814575 /nfs/dbraw/zinc/81/45/75/822814575.db2.gz MGJUIABHWONMLL-QZTJIDSGSA-N 1 0 395.469 4.448 20 0 GIADRO COc1ccc2c(c1)c(C(=O)N1CC[C@H]3CC[C@@H](C1)[N@@H+]3C)c(C)n2C1CCCC1 ZINC000174631596 822814902 /nfs/dbraw/zinc/81/49/02/822814902.db2.gz BVAURVNUPQQONS-MJGOQNOKSA-N 1 0 395.547 4.382 20 0 GIADRO COCc1c(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)sc2cccc(F)c21 ZINC000052954865 822816668 /nfs/dbraw/zinc/81/66/68/822816668.db2.gz GSJMMDOHLJRWCH-CQSZACIVSA-N 1 0 378.513 4.181 20 0 GIADRO C[C@@H](NCc1cccc(C(=O)N2CCCCC2)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185749646 822817513 /nfs/dbraw/zinc/81/75/13/822817513.db2.gz VGRXEPAAUDGJHK-DENIHFKCSA-N 1 0 383.580 4.055 20 0 GIADRO CN1CCC[C@@H](NC(=O)c2oc3ccccc3c2C[NH+](C)C)c2ccccc21 ZINC000456592813 822818692 /nfs/dbraw/zinc/81/86/92/822818692.db2.gz HZMFYTILNRBZBP-LJQANCHMSA-N 1 0 377.488 4.196 20 0 GIADRO C[C@@H](NCC(=O)Nc1ccc(SC(F)F)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185765021 822818867 /nfs/dbraw/zinc/81/88/67/822818867.db2.gz JOQZFKDPGNJLRH-CABCVRRESA-N 1 0 397.535 4.182 20 0 GIADRO C[C@H](NCC(=O)Nc1ccc(SC(F)F)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185764969 822818986 /nfs/dbraw/zinc/81/89/86/822818986.db2.gz JOQZFKDPGNJLRH-LSDHHAIUSA-N 1 0 397.535 4.182 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2nc(C3CC3)cs2)[C@@H]1c1cccs1 ZINC000174656601 822819095 /nfs/dbraw/zinc/81/90/95/822819095.db2.gz UCFAAIPYFCMKAD-CZUORRHYSA-N 1 0 376.551 4.287 20 0 GIADRO Cc1ccc(NC(=O)[C@H]2C[C@H]2c2cc(F)c(F)c(F)c2)c(OCC[NH+](C)C)c1 ZINC000185772663 822820055 /nfs/dbraw/zinc/82/00/55/822820055.db2.gz RXSICUIELQHNJF-GJZGRUSLSA-N 1 0 392.421 4.095 20 0 GIADRO CC[N@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)[C@@H](C)c1ccc(F)cc1 ZINC000053088785 822821174 /nfs/dbraw/zinc/82/11/74/822821174.db2.gz ITXHVEYFINNCFG-KXBFYZLASA-N 1 0 388.446 4.446 20 0 GIADRO C[C@@H](C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)c1cn(C)c2ccccc12 ZINC000185798328 822822110 /nfs/dbraw/zinc/82/21/10/822822110.db2.gz UWLDTBNPRZQTGB-XEVCZEQESA-N 1 0 381.564 4.441 20 0 GIADRO Cc1nc(-c2ccc(C)cc2C)sc1C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000456682019 822822197 /nfs/dbraw/zinc/82/21/97/822822197.db2.gz JNMFJOADMRBYCH-UHFFFAOYSA-N 1 0 383.561 4.482 20 0 GIADRO CCN1c2ccc(NC(=O)c3ccc(C[N@H+](CC)C(C)C)cc3)cc2CCC1=O ZINC000185809158 822823223 /nfs/dbraw/zinc/82/32/23/822823223.db2.gz AKAQXJJMWUUAJQ-UHFFFAOYSA-N 1 0 393.531 4.468 20 0 GIADRO CCO[C@@H](C)c1nc(CC(=O)N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)cs1 ZINC000456694687 822823464 /nfs/dbraw/zinc/82/34/64/822823464.db2.gz ODVUGJWNFCYLAK-INIZCTEOSA-N 1 0 395.613 4.142 20 0 GIADRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)N[C@H]1CCO[C@H](c2ccccc2)C1 ZINC000185815998 822823763 /nfs/dbraw/zinc/82/37/63/822823763.db2.gz XFNXPGYQRPYWNW-SFTDATJTSA-N 1 0 387.568 4.251 20 0 GIADRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000185816017 822823785 /nfs/dbraw/zinc/82/37/85/822823785.db2.gz XFNXPGYQRPYWNW-NHCUHLMSSA-N 1 0 387.568 4.251 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)N[C@@H](c1ncc(C)s1)C1CC1)c1ccccc1 ZINC000174691794 822824055 /nfs/dbraw/zinc/82/40/55/822824055.db2.gz FMDJQUCGCNQMHG-RBUKOAKNSA-N 1 0 386.565 4.285 20 0 GIADRO Cc1ccc(C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1NC(=O)c1ccccc1 ZINC000053160481 822824257 /nfs/dbraw/zinc/82/42/57/822824257.db2.gz YMVIKOYAMBFNGL-HKUYNNGSSA-N 1 0 393.531 4.098 20 0 GIADRO C[NH+]1CCC(Nc2ccccc2NC(=O)[C@H]2C[C@@]23CCCc2ccccc23)CC1 ZINC000174694636 822824365 /nfs/dbraw/zinc/82/43/65/822824365.db2.gz SZWTXKDFXKZULT-PXDATVDWSA-N 1 0 389.543 4.425 20 0 GIADRO CC[C@H](NC(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](CC)C1)c1c(C)noc1C ZINC000185828095 822825042 /nfs/dbraw/zinc/82/50/42/822825042.db2.gz WWGCXHNHRTVYCB-PMACEKPBSA-N 1 0 384.524 4.049 20 0 GIADRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000053182556 822825116 /nfs/dbraw/zinc/82/51/16/822825116.db2.gz FCCKLHANUASTQB-NHCUHLMSSA-N 1 0 396.494 4.321 20 0 GIADRO CC(C)c1nccn1CCC(=O)N1CCC(Cc2cc(F)cc(F)c2)CC1 ZINC000456709384 822825523 /nfs/dbraw/zinc/82/55/23/822825523.db2.gz DAKCDBXHCNNVOQ-UHFFFAOYSA-N 1 0 375.463 4.156 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C3CCN(CC(F)(F)F)CC3)cc2)C1 ZINC000053190951 822825718 /nfs/dbraw/zinc/82/57/18/822825718.db2.gz PQQZKHUOWOEMPS-INIZCTEOSA-N 1 0 397.485 4.131 20 0 GIADRO CC(C)CN(C(=O)c1ccc(Br)cc1Cl)C1CC[NH+](C)CC1 ZINC000053232993 822827306 /nfs/dbraw/zinc/82/73/06/822827306.db2.gz QJGMWXFZRQYDAA-UHFFFAOYSA-N 1 0 387.749 4.295 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Cc1coc(-c2ccccc2)n1)c1ccccc1 ZINC000053273789 822828909 /nfs/dbraw/zinc/82/89/09/822828909.db2.gz IZDBERZLWRSNHH-OAQYLSRUSA-N 1 0 377.488 4.083 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)CSc2nc3ccccc3o2)CC1 ZINC000053315638 822830233 /nfs/dbraw/zinc/83/02/33/822830233.db2.gz AASFMXYABDCLBO-UHFFFAOYSA-N 1 0 395.528 4.009 20 0 GIADRO Cc1nn(C(C)(C)C)c(C)c1C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000053358750 822831606 /nfs/dbraw/zinc/83/16/06/822831606.db2.gz KEPULOIDOAVKGP-QGZVFWFLSA-N 1 0 396.579 4.417 20 0 GIADRO Cc1cn(-c2ccccc2)nc1C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000185905601 822832031 /nfs/dbraw/zinc/83/20/31/822832031.db2.gz FDHILFQPWRSEEV-IBGZPJMESA-N 1 0 388.515 4.136 20 0 GIADRO Cc1cc2c(cc1C)[C@@H](C(=O)NC1CC[NH+]([C@@H](C)c3ccccc3)CC1)CO2 ZINC000185905506 822832072 /nfs/dbraw/zinc/83/20/72/822832072.db2.gz WSHWPLOMWURLKT-AVRDEDQJSA-N 1 0 378.516 4.121 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)NC2(Cc3ccccc3)CCOCC2)cc1 ZINC000456797603 822832076 /nfs/dbraw/zinc/83/20/76/822832076.db2.gz XPIGUCHPFCZADC-UHFFFAOYSA-N 1 0 380.532 4.050 20 0 GIADRO CC(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)cc1 ZINC000456798634 822832213 /nfs/dbraw/zinc/83/22/13/822832213.db2.gz ZGXYBGSGVWTANV-UHFFFAOYSA-N 1 0 386.879 4.268 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(-c2cc[nH]n2)c1 ZINC000185918682 822833399 /nfs/dbraw/zinc/83/33/99/822833399.db2.gz CEOHCVSWDXLRPJ-LJQANCHMSA-N 1 0 389.503 4.063 20 0 GIADRO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1cc2ccccc2[nH]c1=O ZINC000185937463 822835286 /nfs/dbraw/zinc/83/52/86/822835286.db2.gz QHGXDRDVRILNGW-VDGAXYAQSA-N 1 0 382.504 4.003 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)N2CC[C@H](CSc3ccccc3)C2)cc1 ZINC000174780947 822836118 /nfs/dbraw/zinc/83/61/18/822836118.db2.gz QZAJAURBGJOTGQ-FQEVSTJZSA-N 1 0 383.561 4.072 20 0 GIADRO Cc1nc(-c2cccc(NC(=O)N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C(C)C)c2)oc1C ZINC000174792464 822837431 /nfs/dbraw/zinc/83/74/31/822837431.db2.gz BOLRFVPJXIWRDO-UXHICEINSA-N 1 0 382.508 4.437 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000174797279 822838373 /nfs/dbraw/zinc/83/83/73/822838373.db2.gz JZAYLSPPQAMLHO-IEBWSBKVSA-N 1 0 396.560 4.144 20 0 GIADRO COc1ccc([C@@H](CNC(=O)N(C)Cc2ccccc2)[NH+]2CCCCC2)cc1 ZINC000053527660 822839185 /nfs/dbraw/zinc/83/91/85/822839185.db2.gz YJHQTQFQZUVMIU-JOCHJYFZSA-N 1 0 381.520 4.064 20 0 GIADRO COc1ccc2cc(CN(C)C(=O)NC[C@@H](c3cccs3)[NH+](C)C)ccc2c1 ZINC000053529527 822839389 /nfs/dbraw/zinc/83/93/89/822839389.db2.gz PUBIFMMVOJFECF-FQEVSTJZSA-N 1 0 397.544 4.354 20 0 GIADRO CN(Cc1cccc(Cl)c1Cl)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000053529998 822839434 /nfs/dbraw/zinc/83/94/34/822839434.db2.gz LQNLPPDWZQZSCK-AWEZNQCLSA-N 1 0 386.348 4.499 20 0 GIADRO COc1ccc2cc(CN(C)C(=O)NC[C@H](c3cccs3)[NH+](C)C)ccc2c1 ZINC000053529532 822839453 /nfs/dbraw/zinc/83/94/53/822839453.db2.gz PUBIFMMVOJFECF-HXUWFJFHSA-N 1 0 397.544 4.354 20 0 GIADRO Cc1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc1OCC(F)F ZINC000174804441 822839647 /nfs/dbraw/zinc/83/96/47/822839647.db2.gz YUOAPTKJXHYPED-SJORKVTESA-N 1 0 381.467 4.118 20 0 GIADRO COc1ccc([C@H](C)NC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1F ZINC000053547722 822840253 /nfs/dbraw/zinc/84/02/53/822840253.db2.gz SLQYHADTKGQJLR-OXJNMPFZSA-N 1 0 385.483 4.032 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N(Cc1ccco1)Cc1cccs1 ZINC000053602985 822842338 /nfs/dbraw/zinc/84/23/38/822842338.db2.gz LQWKEZLVYAPXIT-IBGZPJMESA-N 1 0 399.516 4.483 20 0 GIADRO COC(=O)CC[C@@H]([NH2+][C@H](C)c1ccc(Br)cc1O)c1ccccc1 ZINC000185999715 822842470 /nfs/dbraw/zinc/84/24/70/822842470.db2.gz COXIPLONBQKWIT-CXAGYDPISA-N 1 0 392.293 4.500 20 0 GIADRO O=C(Nc1cnn(Cc2ccccc2)c1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000174830602 822843198 /nfs/dbraw/zinc/84/31/98/822843198.db2.gz JFAINDGWXOOMGR-OAQYLSRUSA-N 1 0 395.551 4.051 20 0 GIADRO CC(C)(C)[C@H]([NH2+]Cc1nc(=O)c2c3c(sc2[nH]1)CCC3)c1ccc(F)cc1 ZINC000053644294 822843622 /nfs/dbraw/zinc/84/36/22/822843622.db2.gz WLLYEOCGOQHZEZ-GOSISDBHSA-N 1 0 385.508 4.489 20 0 GIADRO COc1ccccc1Oc1ccc(CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000174834620 822843631 /nfs/dbraw/zinc/84/36/31/822843631.db2.gz STSGJQSXNZRXTC-IEBWSBKVSA-N 1 0 397.519 4.112 20 0 GIADRO Cc1nc(-c2ccccc2)oc1C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000174844897 822845494 /nfs/dbraw/zinc/84/54/94/822845494.db2.gz OGTFOHJXINHHSK-UHFFFAOYSA-N 1 0 389.499 4.387 20 0 GIADRO Cc1nc2ccccc2n1CC(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000053722070 822846171 /nfs/dbraw/zinc/84/61/71/822846171.db2.gz LIBRGOBJWGECJO-KRWDZBQOSA-N 1 0 376.504 4.358 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)Cc2cc3ccccc3[nH]c2=O)cc1 ZINC000053721974 822846297 /nfs/dbraw/zinc/84/62/97/822846297.db2.gz IHPGGOYLHGSHPC-KRWDZBQOSA-N 1 0 389.499 4.084 20 0 GIADRO COc1cccc(COCC(=O)Nc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)c1 ZINC000053721975 822846323 /nfs/dbraw/zinc/84/63/23/822846323.db2.gz GIAROKRDXIVUNJ-GOSISDBHSA-N 1 0 382.504 4.225 20 0 GIADRO CC[C@H](NC(=O)[C@@H](c1ccccc1)[N@H+](C)CC)c1nc(C(F)(F)F)cs1 ZINC000174856375 822847166 /nfs/dbraw/zinc/84/71/66/822847166.db2.gz ROEBNLADVDDCSY-DZGCQCFKSA-N 1 0 385.455 4.422 20 0 GIADRO Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)Nc2cccc(C[NH+](C)C)c2)cc1 ZINC000174867903 822848767 /nfs/dbraw/zinc/84/87/67/822848767.db2.gz JIHLDUBDBFGFNI-HSZRJFAPSA-N 1 0 395.547 4.312 20 0 GIADRO Cc1c(F)ccc(Cl)c1C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457061240 822848838 /nfs/dbraw/zinc/84/88/38/822848838.db2.gz BOWZAWWJZZAVRV-UHFFFAOYSA-N 1 0 380.813 4.276 20 0 GIADRO C[C@H](CC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)c1ccc(F)cc1F ZINC000457063120 822849128 /nfs/dbraw/zinc/84/91/28/822849128.db2.gz BACJNFFKENNTOI-CYBMUJFWSA-N 1 0 392.412 4.334 20 0 GIADRO CN(C(=O)c1cc2cc(Cl)sc2[nH]1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457075705 822850340 /nfs/dbraw/zinc/85/03/40/822850340.db2.gz XDWTYKJQIUQHTH-UHFFFAOYSA-N 1 0 393.862 4.372 20 0 GIADRO CN(C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457076966 822850566 /nfs/dbraw/zinc/85/05/66/822850566.db2.gz ZBIALVRAGBQNCD-DLBZAZTESA-N 1 0 388.861 4.319 20 0 GIADRO C[C@@H](CCc1cccc(F)c1)C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457079528 822850705 /nfs/dbraw/zinc/85/07/05/822850705.db2.gz FPJIAALEMNJYKK-HNNXBMFYSA-N 1 0 388.449 4.270 20 0 GIADRO Cc1csc([C@@H](NC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)C2CC2)n1 ZINC000174890139 822851282 /nfs/dbraw/zinc/85/12/82/822851282.db2.gz KZYRQEDZVNCUDN-QAPCUYQASA-N 1 0 386.565 4.331 20 0 GIADRO CN(C(=O)c1c(Cl)cccc1Cl)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457085143 822851408 /nfs/dbraw/zinc/85/14/08/822851408.db2.gz MDNGOFLTIXBABK-UHFFFAOYSA-N 1 0 383.241 4.482 20 0 GIADRO CN(C(=O)C(C)(C)c1cccc(Cl)c1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457084540 822851534 /nfs/dbraw/zinc/85/15/34/822851534.db2.gz LQRWQUPSVBLPHF-UHFFFAOYSA-N 1 0 390.877 4.493 20 0 GIADRO Cc1ccc(CC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)c(Cl)c1 ZINC000457086125 822851588 /nfs/dbraw/zinc/85/15/88/822851588.db2.gz NVRSFCSVWZXORC-UHFFFAOYSA-N 1 0 376.850 4.066 20 0 GIADRO CN(C(=O)C1(c2ccccc2)CCCC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457085761 822851689 /nfs/dbraw/zinc/85/16/89/822851689.db2.gz NDXHQHWZMCTOAI-UHFFFAOYSA-N 1 0 382.470 4.374 20 0 GIADRO C[C@@H](C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)c1ccc(Cl)s1 ZINC000457086770 822851865 /nfs/dbraw/zinc/85/18/65/822851865.db2.gz ORPPOXRSHXKLHY-LLVKDONJSA-N 1 0 382.879 4.380 20 0 GIADRO CN(C(=O)c1ccc(-n2cccc2)c(F)c1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457088644 822852123 /nfs/dbraw/zinc/85/21/23/822852123.db2.gz SDHCDVHPXZCRDO-UHFFFAOYSA-N 1 0 397.416 4.105 20 0 GIADRO C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2C(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)o1 ZINC000457093024 822852642 /nfs/dbraw/zinc/85/26/42/822852642.db2.gz XYYICIWEXLFWFF-XLNGHYISSA-N 1 0 398.469 4.382 20 0 GIADRO CCC(CC)n1nc(C(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)cc1C ZINC000457092293 822852685 /nfs/dbraw/zinc/85/26/85/822852685.db2.gz WZIUIVVLUMRZQM-UHFFFAOYSA-N 1 0 388.478 4.041 20 0 GIADRO CC(=O)c1ccc(Oc2ccc(C(=O)N(C)[C@H]3CC[N@@H+](C(C)C)C3)cc2)cc1 ZINC000457101487 822853365 /nfs/dbraw/zinc/85/33/65/822853365.db2.gz YGZJZWDAJUQNMM-FQEVSTJZSA-N 1 0 380.488 4.236 20 0 GIADRO Cc1cc(NC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1N(C)C ZINC000174916783 822855595 /nfs/dbraw/zinc/85/55/95/822855595.db2.gz XSSNYXIMEXMGND-HXUWFJFHSA-N 1 0 380.536 4.047 20 0 GIADRO CC[C@H](C)[C@@H](C)C(=O)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000457124824 822855678 /nfs/dbraw/zinc/85/56/78/822855678.db2.gz XUGYZIHAUZUXRK-ZWKOTPCHSA-N 1 0 391.987 4.135 20 0 GIADRO Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000053991442 822856017 /nfs/dbraw/zinc/85/60/17/822856017.db2.gz XRJXTXQNQNSHJJ-IBGZPJMESA-N 1 0 395.547 4.062 20 0 GIADRO CCCOc1ccc(-c2nc(C(=O)N(C)[C@@H]3CC[N@@H+](C(C)C)C3)cs2)cc1 ZINC000457142204 822856723 /nfs/dbraw/zinc/85/67/23/822856723.db2.gz ZWPDAYRWBCZWBL-QGZVFWFLSA-N 1 0 387.549 4.154 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCc1cc(Cl)cs1 ZINC000174936107 822858044 /nfs/dbraw/zinc/85/80/44/822858044.db2.gz HQXVWZSBXWFPOV-QGZVFWFLSA-N 1 0 376.953 4.315 20 0 GIADRO Cc1ccc(C(=O)NCC2(C[NH+](C)C)CCCC2)cc1NC(=O)c1ccccc1 ZINC000186188287 822859371 /nfs/dbraw/zinc/85/93/71/822859371.db2.gz MFSIJGNWZNMESU-UHFFFAOYSA-N 1 0 393.531 4.099 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)c2cccc(NC(=O)[C@@H]3C[C@H]3C)c2)c1 ZINC000054032613 822859681 /nfs/dbraw/zinc/85/96/81/822859681.db2.gz QNPAYHDOLDRBPT-VGOFRKELSA-N 1 0 393.531 4.053 20 0 GIADRO O=C(C[C@H]1CCCO1)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457193320 822859841 /nfs/dbraw/zinc/85/98/41/822859841.db2.gz HKIVXPBPQPJILG-PKTZIBPZSA-N 1 0 384.564 4.239 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)C[NH+]2CCC(C)(C(C)C)CC2)c(C(F)(F)F)c1 ZINC000186195328 822859865 /nfs/dbraw/zinc/85/98/65/822859865.db2.gz CYTBFNSDOVWRKJ-UHFFFAOYSA-N 1 0 399.457 4.360 20 0 GIADRO O=C([C@@H]1C[C@@]12CCOC2)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457197189 822860171 /nfs/dbraw/zinc/86/01/71/822860171.db2.gz TVONYQQAYLFLMH-JBRSBNLGSA-N 1 0 396.575 4.096 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)/C=C/c1ccnc2ccccc12 ZINC000174951424 822860225 /nfs/dbraw/zinc/86/02/25/822860225.db2.gz DJGYKWZWQYGOFG-VIOKTNGOSA-N 1 0 385.511 4.229 20 0 GIADRO C[N@H+](CCCCNC(=O)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1)C1CC1 ZINC000457202232 822860567 /nfs/dbraw/zinc/86/05/67/822860567.db2.gz NFWOKFOGZBQTMC-ROUUACIJSA-N 1 0 383.561 4.337 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(OC(C)C)c(OC)c1)c1ccco1 ZINC000186220440 822862090 /nfs/dbraw/zinc/86/20/90/822862090.db2.gz MDQMWCQNAVWOSW-KRWDZBQOSA-N 1 0 389.496 4.280 20 0 GIADRO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000186233554 822863299 /nfs/dbraw/zinc/86/32/99/822863299.db2.gz IDKPAMRKGPSGSW-KBXCAEBGSA-N 1 0 379.909 4.006 20 0 GIADRO CS(=O)(=O)Cc1ccccc1C[NH2+]Cc1ccc(-c2c(F)cccc2F)o1 ZINC000174994481 822865102 /nfs/dbraw/zinc/86/51/02/822865102.db2.gz LOEIIKBCKZTRJW-UHFFFAOYSA-N 1 0 391.439 4.059 20 0 GIADRO O=c1[nH]c(CC[N@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)nc2ccccc21 ZINC000054173546 822865689 /nfs/dbraw/zinc/86/56/89/822865689.db2.gz LPIQHIUSPCOLBK-JOCHJYFZSA-N 1 0 381.479 4.113 20 0 GIADRO CC[C@H](C)Oc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)cc1 ZINC000175005620 822866206 /nfs/dbraw/zinc/86/62/06/822866206.db2.gz ZZERTUSWPLZKJQ-SFHVURJKSA-N 1 0 381.520 4.176 20 0 GIADRO C[C@H](NC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)c1nc(-c2ccccc2)cs1 ZINC000568971584 822866526 /nfs/dbraw/zinc/86/65/26/822866526.db2.gz LHTZDHHAMKAQLJ-MAUKXSAKSA-N 1 0 384.549 4.187 20 0 GIADRO CO[C@H](CNC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1)c1ccc(F)cc1 ZINC000175011845 822867111 /nfs/dbraw/zinc/86/71/11/822867111.db2.gz BXGWFFBUJSHDIY-VGOFRKELSA-N 1 0 399.510 4.038 20 0 GIADRO Cc1ccc(NC(=O)c2cccc(OCC(C)C)c2)cc1NC(=O)CC[NH+](C)C ZINC000186271975 822868093 /nfs/dbraw/zinc/86/80/93/822868093.db2.gz NVPHULHMRJWZSD-UHFFFAOYSA-N 1 0 397.519 4.172 20 0 GIADRO O=C(Nc1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c3cccnc23)C1 ZINC000054202810 822868419 /nfs/dbraw/zinc/86/84/19/822868419.db2.gz GXXIZNGDQIOKHU-MRXNPFEDSA-N 1 0 380.879 4.134 20 0 GIADRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)c2ccc(COc3ccccc3)cc2)CC1 ZINC000568999726 822868655 /nfs/dbraw/zinc/86/86/55/822868655.db2.gz SKEJMGOQIHJKMM-QFIPXVFZSA-N 1 0 378.516 4.116 20 0 GIADRO COc1cc(NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)ccc1OC(C)C ZINC000186275715 822868688 /nfs/dbraw/zinc/86/86/88/822868688.db2.gz HUUVYLKUDYEBHM-UHFFFAOYSA-N 1 0 397.519 4.400 20 0 GIADRO O=C(Nc1ccc(Cl)cn1)C1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000054214477 822868772 /nfs/dbraw/zinc/86/87/72/822868772.db2.gz BFGNUCKTSKRDRB-UHFFFAOYSA-N 1 0 394.302 4.118 20 0 GIADRO O=C(Nc1ccc(Cl)cn1)C1CC[NH+](Cc2cc(-c3ccccc3)no2)CC1 ZINC000054215616 822868826 /nfs/dbraw/zinc/86/88/26/822868826.db2.gz GGWKRTGMJZCZTJ-UHFFFAOYSA-N 1 0 396.878 4.241 20 0 GIADRO O=C(CS[C@@H](c1ccccc1)c1ccc(Cl)cc1)NCC1=CC[NH2+]CC1 ZINC000186279132 822869321 /nfs/dbraw/zinc/86/93/21/822869321.db2.gz WRKYHZVRYJICFN-NRFANRHFSA-N 1 0 386.948 4.199 20 0 GIADRO Cc1oc(-c2ccccc2)nc1CC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000054223937 822869326 /nfs/dbraw/zinc/86/93/26/822869326.db2.gz KXPLNTLJPCGJSR-LAUBAEHRSA-N 1 0 389.499 4.144 20 0 GIADRO Cc1onc(-c2ccccc2)c1C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000054227440 822869828 /nfs/dbraw/zinc/86/98/28/822869828.db2.gz KJXPWHOMQVYEGQ-JXFKEZNVSA-N 1 0 375.472 4.215 20 0 GIADRO COc1ccc(S[C@H](C)C(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)cc1 ZINC000175025318 822869999 /nfs/dbraw/zinc/86/99/99/822869999.db2.gz RJODEUNNYJASJB-GOSISDBHSA-N 1 0 398.572 4.299 20 0 GIADRO CSc1ccc(Cl)c(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)c1 ZINC000457361530 822870150 /nfs/dbraw/zinc/87/01/50/822870150.db2.gz GYIPTDDMOZKOAA-YJBOKZPZSA-N 1 0 378.900 4.158 20 0 GIADRO COc1ccc([C@@H]2CCN(C(=O)c3cccc(-c4ccoc4)c3)C[C@@H]2[NH3+])cc1F ZINC000457365734 822870540 /nfs/dbraw/zinc/87/05/40/822870540.db2.gz CHTZOLMFUBNSQC-FPOVZHCZSA-N 1 0 394.446 4.051 20 0 GIADRO [NH3+]CC1CCN(C(=O)c2ccc(-c3ccc(Br)s3)s2)CC1 ZINC000457363420 822870559 /nfs/dbraw/zinc/87/05/59/822870559.db2.gz KMSRLSJPKOTKJT-UHFFFAOYSA-N 1 0 385.352 4.050 20 0 GIADRO C[C@H]1CCN(C(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)[C@@H](C)[C@H]1[NH3+] ZINC000457366004 822870642 /nfs/dbraw/zinc/87/06/42/822870642.db2.gz TZUIIYFWUYVQEW-YHAQOWFVSA-N 1 0 384.332 4.315 20 0 GIADRO C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000457369739 822870934 /nfs/dbraw/zinc/87/09/34/822870934.db2.gz DGCAXRPRKDABLV-KBAYOESNSA-N 1 0 383.458 4.196 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2c[nH]c(=S)n2-c2ccccc2)C1 ZINC000054260305 822871344 /nfs/dbraw/zinc/87/13/44/822871344.db2.gz STVBBGPQHKZUMY-IYBDPMFKSA-N 1 0 386.565 4.021 20 0 GIADRO Cc1cc(C[NH3+])cc(NC(=O)c2cc(NC(=O)NC(C)(C)C)ccc2Cl)c1 ZINC000457382333 822871705 /nfs/dbraw/zinc/87/17/05/822871705.db2.gz RFEYPNUHDGXHRD-UHFFFAOYSA-N 1 0 388.899 4.279 20 0 GIADRO Cc1c(C(=O)N2CC[C@H](c3ccc(F)cc3)[C@H]([NH3+])C2)cccc1-c1ccccn1 ZINC000457383556 822871819 /nfs/dbraw/zinc/87/18/19/822871819.db2.gz QWIIIRAYCNBZTO-FGZHOGPDSA-N 1 0 389.474 4.153 20 0 GIADRO Cc1nc(-c2ccccc2)c(C(=O)N2CC[C@H](c3ccc(F)cc3)[C@H]([NH3+])C2)s1 ZINC000457386780 822872071 /nfs/dbraw/zinc/87/20/71/822872071.db2.gz TYXQQGQWUMOQFJ-RTBURBONSA-N 1 0 395.503 4.215 20 0 GIADRO Cc1nc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c(-c2ccccc2)o1 ZINC000569040951 822872281 /nfs/dbraw/zinc/87/22/81/822872281.db2.gz IGFIBYOSBLZVRH-OXJNMPFZSA-N 1 0 375.472 4.043 20 0 GIADRO CSC[C@H]([NH2+][C@H](C)C(=O)NCc1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000569040241 822872351 /nfs/dbraw/zinc/87/23/51/822872351.db2.gz BSFOATLCJZIOPJ-KDOFPFPSSA-N 1 0 396.478 4.404 20 0 GIADRO Cc1nc(-c2ccsc2)ccc1C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000457391078 822872387 /nfs/dbraw/zinc/87/23/87/822872387.db2.gz XSOYXBIHVVSWNW-PMACEKPBSA-N 1 0 395.503 4.215 20 0 GIADRO Cc1nc(-c2ccsc2)ccc1C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000457391079 822872398 /nfs/dbraw/zinc/87/23/98/822872398.db2.gz XSOYXBIHVVSWNW-UXHICEINSA-N 1 0 395.503 4.215 20 0 GIADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)c1cnccc1Oc1ccccc1)c1ccco1 ZINC000569042154 822872520 /nfs/dbraw/zinc/87/25/20/822872520.db2.gz WFUAFUPTGOUGJH-LPHOPBHVSA-N 1 0 379.460 4.326 20 0 GIADRO Cc1cc(Br)c(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)s1 ZINC000457400727 822872896 /nfs/dbraw/zinc/87/28/96/822872896.db2.gz ZRKVPEVVGHBTDU-MRXNPFEDSA-N 1 0 393.350 4.386 20 0 GIADRO Cc1cc(Br)c(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)s1 ZINC000457400726 822872904 /nfs/dbraw/zinc/87/29/04/822872904.db2.gz ZRKVPEVVGHBTDU-INIZCTEOSA-N 1 0 393.350 4.386 20 0 GIADRO CC(C)Oc1ccc([C@@H](C[NH2+]Cc2ccn(-c3ccccc3)n2)N(C)C)cc1 ZINC000569048509 822873607 /nfs/dbraw/zinc/87/36/07/822873607.db2.gz RWNCEZHKJARLTC-HSZRJFAPSA-N 1 0 378.520 4.052 20 0 GIADRO O=C(Nc1cccc(C[NH2+]C[C@H](CO)c2ccccc2)c1)c1ccccc1Cl ZINC000175049278 822873597 /nfs/dbraw/zinc/87/35/97/822873597.db2.gz ULGUCVSLDWLNME-LJQANCHMSA-N 1 0 394.902 4.458 20 0 GIADRO O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000186304624 822873775 /nfs/dbraw/zinc/87/37/75/822873775.db2.gz JSGJVJKSSHPWQP-GFCCVEGCSA-N 1 0 375.822 4.308 20 0 GIADRO Cc1ccc(C(=O)C2CC[NH+](CCC(=O)NCc3ccccc3Cl)CC2)cc1 ZINC000054299071 822874027 /nfs/dbraw/zinc/87/40/27/822874027.db2.gz CLGRPHBFLCLKMK-UHFFFAOYSA-N 1 0 398.934 4.250 20 0 GIADRO CC(C)NC(=O)c1ccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000054302701 822874130 /nfs/dbraw/zinc/87/41/30/822874130.db2.gz NXKDJACYOHCQLY-UHFFFAOYSA-N 1 0 379.504 4.063 20 0 GIADRO OCCC[N@@H+](Cc1ccccn1)CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000569051853 822874222 /nfs/dbraw/zinc/87/42/22/822874222.db2.gz DCMKUWABXGEIEZ-UHFFFAOYSA-N 1 0 379.287 4.049 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1sc(C(C)(C)OC)nc1C)c1ccsc1 ZINC000569054365 822874472 /nfs/dbraw/zinc/87/44/72/822874472.db2.gz HPVBUKRYKHAIIB-OAHLLOKOSA-N 1 0 395.594 4.207 20 0 GIADRO CCC[N@@H+]1CC[C@H](CNC(=O)NC(C)(C)c2ccc(Br)c(C)c2)C1 ZINC000569055799 822874733 /nfs/dbraw/zinc/87/47/33/822874733.db2.gz SCUJNHHVEQPEGP-OAHLLOKOSA-N 1 0 396.373 4.024 20 0 GIADRO Cc1ccc(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c(-c2nc(C3CC3)no2)c1 ZINC000175061492 822875853 /nfs/dbraw/zinc/87/58/53/822875853.db2.gz VAQNLUJVVKWYCX-UHFFFAOYSA-N 1 0 397.523 4.353 20 0 GIADRO C[C@H]([NH2+]C1CCN(c2cnccn2)CC1)c1cccc(OCc2ccccc2)c1 ZINC000569067707 822876421 /nfs/dbraw/zinc/87/64/21/822876421.db2.gz QNUWAYUCVFBPCE-IBGZPJMESA-N 1 0 388.515 4.375 20 0 GIADRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]CC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000186325727 822876553 /nfs/dbraw/zinc/87/65/53/822876553.db2.gz AEMBTLXSJZNHKT-GJZGRUSLSA-N 1 0 392.849 4.481 20 0 GIADRO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)N1C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000457459387 822877086 /nfs/dbraw/zinc/87/70/86/822877086.db2.gz NBMKRWUNZBMPBA-XUWVNRHRSA-N 1 0 387.446 4.177 20 0 GIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2ccccc2Br)C1 ZINC000054348193 822877534 /nfs/dbraw/zinc/87/75/34/822877534.db2.gz SAJGGWJDERUPFI-HOCLYGCPSA-N 1 0 388.309 4.406 20 0 GIADRO O=C(Nc1ccc(Br)cc1F)NC1CC[NH+](C2CCCC2)CC1 ZINC000175072178 822877721 /nfs/dbraw/zinc/87/77/21/822877721.db2.gz ZNDOTDPVSPCPAB-UHFFFAOYSA-N 1 0 384.293 4.117 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)N1CCC[C@@H]1c1ccc(F)cc1F)c1cccs1 ZINC000457471185 822878159 /nfs/dbraw/zinc/87/81/59/822878159.db2.gz ZDYREAKFUJJRBD-SJORKVTESA-N 1 0 379.476 4.176 20 0 GIADRO Cc1nc(-c2ccccc2NC(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)cs1 ZINC000569082914 822878190 /nfs/dbraw/zinc/87/81/90/822878190.db2.gz CEXJAGUQVOIPLF-LJQANCHMSA-N 1 0 384.549 4.360 20 0 GIADRO C[N@H+](Cc1ccc(Br)cc1)Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000054358286 822878242 /nfs/dbraw/zinc/87/82/42/822878242.db2.gz VMUXVCZNCYPHAH-UHFFFAOYSA-N 1 0 387.321 4.317 20 0 GIADRO O=C(Nc1ccc(OCc2ccncc2)cc1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000569083468 822878276 /nfs/dbraw/zinc/87/82/76/822878276.db2.gz QDPIPWHYMJASDD-KNQAVFIVSA-N 1 0 394.519 4.047 20 0 GIADRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)N(Cc1ccccc1)C1CCCCC1 ZINC000175076882 822878277 /nfs/dbraw/zinc/87/82/77/822878277.db2.gz HNNNIFYWCYVOAH-OAQYLSRUSA-N 1 0 399.579 4.032 20 0 GIADRO Cc1cc(Br)c(C(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)s1 ZINC000457472948 822878389 /nfs/dbraw/zinc/87/83/89/822878389.db2.gz REJQCWBUTLINBS-UKRRQHHQSA-N 1 0 393.350 4.384 20 0 GIADRO OC1(c2cccnc2)CCC([NH2+]C2CCN(Cc3ccccc3Cl)CC2)CC1 ZINC000186344976 822878926 /nfs/dbraw/zinc/87/89/26/822878926.db2.gz WUHHPTILKHXIEJ-UHFFFAOYSA-N 1 0 399.966 4.119 20 0 GIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2nc(C(F)(F)F)cs2)C1 ZINC000054384034 822880033 /nfs/dbraw/zinc/88/00/33/822880033.db2.gz HRASEFYLNROQNW-AAEUAGOBSA-N 1 0 384.427 4.119 20 0 GIADRO Cc1cc(OCc2ccccc2)c(C(=O)NC2CC[NH+](CC3CC3)CC2)s1 ZINC000457484773 822880375 /nfs/dbraw/zinc/88/03/75/822880375.db2.gz OJQKKGAOTYZMTE-UHFFFAOYSA-N 1 0 384.545 4.240 20 0 GIADRO CCN(C(=O)c1cc(F)cc2cccnc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186354178 822880671 /nfs/dbraw/zinc/88/06/71/822880671.db2.gz RQHYWYWWKIQVJK-FQEVSTJZSA-N 1 0 377.463 4.111 20 0 GIADRO Cc1cccc(CN(C)C(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)n1 ZINC000457493000 822881314 /nfs/dbraw/zinc/88/13/14/822881314.db2.gz WZXDIXWRIRUJOH-LJQANCHMSA-N 1 0 386.565 4.066 20 0 GIADRO CCN(C(=O)c1cc(-c2csc(C)n2)c[nH]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186359487 822881653 /nfs/dbraw/zinc/88/16/53/822881653.db2.gz DSYNXNDNXIMMIP-LJQANCHMSA-N 1 0 394.544 4.183 20 0 GIADRO Cc1cc2ncc([C@@H](C)[NH2+]CC3(CCOCc4ccccc4)CC3)c(C)n2n1 ZINC000186367371 822882894 /nfs/dbraw/zinc/88/28/94/822882894.db2.gz RKZJVDKTSQPCJD-GOSISDBHSA-N 1 0 378.520 4.384 20 0 GIADRO CC[C@H](CC(F)F)C(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000457504952 822883025 /nfs/dbraw/zinc/88/30/25/822883025.db2.gz SXCPOCGHVZVAQE-CQSZACIVSA-N 1 0 380.401 4.277 20 0 GIADRO CCOC(=O)Nc1ccc(NC(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc1 ZINC000054410647 822883082 /nfs/dbraw/zinc/88/30/82/822883082.db2.gz CLUKYTRZYUMAET-JXFKEZNVSA-N 1 0 396.491 4.212 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc2c(c1)COC(C)(C)O2)c1cccc(N2CCCC2=O)c1 ZINC000186371065 822883309 /nfs/dbraw/zinc/88/33/09/822883309.db2.gz CFHSXRUTFRUIJA-MRXNPFEDSA-N 1 0 380.488 4.309 20 0 GIADRO C[C@@H](CCc1ccc(Br)cc1)[NH2+]C1CCN(c2nccs2)CC1 ZINC000569142887 822883339 /nfs/dbraw/zinc/88/33/39/822883339.db2.gz JSVRZDYZVUOIIO-AWEZNQCLSA-N 1 0 394.382 4.485 20 0 GIADRO C[C@@H]([NH2+]CC1(CCOCc2ccccc2)CC1)c1ccc(-n2cncn2)cc1 ZINC000186372015 822883756 /nfs/dbraw/zinc/88/37/56/822883756.db2.gz RMESODRCQKSHNO-LJQANCHMSA-N 1 0 376.504 4.305 20 0 GIADRO COc1cc(OC)cc(N2CC[C@H]([NH2+][C@@H](C)c3csc(C(C)C)n3)C2)c1 ZINC000186373064 822883897 /nfs/dbraw/zinc/88/38/97/822883897.db2.gz LHHBLPRLXJESTK-GJZGRUSLSA-N 1 0 375.538 4.213 20 0 GIADRO O=C([C@H]1CCCN1Cc1ccc(F)cc1)N1CCC(Nc2ccc(F)cc2)CC1 ZINC000175110571 822884181 /nfs/dbraw/zinc/88/41/81/822884181.db2.gz IVKFNVSRAIAZRM-JOCHJYFZSA-N 1 0 399.485 4.032 20 0 GIADRO C[C@@H](Cc1cccc(F)c1)N(C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000457515303 822884323 /nfs/dbraw/zinc/88/43/23/822884323.db2.gz QHUHONUBMOHVEP-SFHVURJKSA-N 1 0 383.511 4.194 20 0 GIADRO COc1ccccc1[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1)OC(C)C ZINC000186378854 822884925 /nfs/dbraw/zinc/88/49/25/822884925.db2.gz IGESLQGKTYEPCT-HTAPYJJXSA-N 1 0 398.503 4.469 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000175113608 822884926 /nfs/dbraw/zinc/88/49/26/822884926.db2.gz PGQGTNSKABCXAH-UHFFFAOYSA-N 1 0 381.524 4.018 20 0 GIADRO O=C([C@H]1C[C@H]1c1ccc2ccccc2c1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000175118956 822885507 /nfs/dbraw/zinc/88/55/07/822885507.db2.gz BFHMBOYAPXFURO-ZEQRLZLVSA-N 1 0 392.543 4.047 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3cccc4[nH]ccc43)cc2F)CC1 ZINC000175121038 822886159 /nfs/dbraw/zinc/88/61/59/822886159.db2.gz GNSAFMKUGDMUAH-UHFFFAOYSA-N 1 0 380.467 4.090 20 0 GIADRO Cc1c2cc(Cl)ccc2oc1C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000175120914 822886211 /nfs/dbraw/zinc/88/62/11/822886211.db2.gz QPJUFKIQNDPWDJ-UHFFFAOYSA-N 1 0 390.911 4.112 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1cn2cc(Cl)ccc2n1)CC3 ZINC000569163808 822886822 /nfs/dbraw/zinc/88/68/22/822886822.db2.gz SQGNVQFAMOFTAZ-CQSZACIVSA-N 1 0 380.879 4.125 20 0 GIADRO CC1(CC(F)(F)F)CN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000457534026 822886964 /nfs/dbraw/zinc/88/69/64/822886964.db2.gz RTIJGUYJXDMEIL-UHFFFAOYSA-N 1 0 383.458 4.156 20 0 GIADRO COc1cccc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)c1OC(F)F ZINC000569172321 822888420 /nfs/dbraw/zinc/88/84/20/822888420.db2.gz SZSHOEZAGNRYKF-QYZOEREBSA-N 1 0 389.442 4.301 20 0 GIADRO COCCCOc1ccccc1NC(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000054472318 822888561 /nfs/dbraw/zinc/88/85/61/822888561.db2.gz RIGNIGMBFMNGLL-QUCCMNQESA-N 1 0 397.519 4.059 20 0 GIADRO O=C(c1ccc(Oc2cccc(Cl)c2)cn1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000457545652 822888794 /nfs/dbraw/zinc/88/87/94/822888794.db2.gz FQAOQDKTIGOGKK-QGZVFWFLSA-N 1 0 385.895 4.228 20 0 GIADRO Fc1cccc(Cl)c1CCC[NH2+]Cc1ccnc(OC2CCOCC2)c1 ZINC000569186694 822890314 /nfs/dbraw/zinc/89/03/14/822890314.db2.gz IWFBPOWMIUOIKM-UHFFFAOYSA-N 1 0 378.875 4.154 20 0 GIADRO CCOc1cccc(CNC(=O)N(CC)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000175142576 822890790 /nfs/dbraw/zinc/89/07/90/822890790.db2.gz BMCOERZRTOOSTF-JOCHJYFZSA-N 1 0 395.547 4.139 20 0 GIADRO Cc1cc2ncn(C[NH+]3CCC(C(=O)c4cc(F)ccc4F)CC3)c2cc1C ZINC000054518520 822892792 /nfs/dbraw/zinc/89/27/92/822892792.db2.gz FWYSTBAOLQQPEE-UHFFFAOYSA-N 1 0 383.442 4.484 20 0 GIADRO Cc1ccc([C@H](OC[C@H](O)C[NH2+]CCC2CC(F)(F)C2)c2ccccc2)cc1 ZINC000569214301 822893390 /nfs/dbraw/zinc/89/33/90/822893390.db2.gz PTBYBZITHJJKAP-FGZHOGPDSA-N 1 0 389.486 4.487 20 0 GIADRO COC[C@@H](C)OC[C@@H](O)C[NH2+]C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000569212810 822893414 /nfs/dbraw/zinc/89/34/14/822893414.db2.gz RVDTWJFXMMYRSA-KUHUBIRLSA-N 1 0 398.330 4.085 20 0 GIADRO CC[C@H](NC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1nccs1 ZINC000175158268 822894439 /nfs/dbraw/zinc/89/44/39/822894439.db2.gz ZZIRDIPCQJBXNX-YCPHGPKFSA-N 1 0 378.567 4.038 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)COCc2cccc(Cl)c2)[C@@H]1c1cccs1 ZINC000457588818 822895336 /nfs/dbraw/zinc/89/53/36/822895336.db2.gz DFZMJDSTTMVIJT-OXQOHEQNSA-N 1 0 392.952 4.117 20 0 GIADRO CCCOc1ccc(Cl)cc1NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000569256884 822897518 /nfs/dbraw/zinc/89/75/18/822897518.db2.gz NSWYLFAHZWQIDQ-MRXNPFEDSA-N 1 0 382.957 4.285 20 0 GIADRO Cc1cccc([C@@H]2CCCN2C(=O)NC2CC[NH+](Cc3ccccn3)CC2)c1C ZINC000175177702 822898180 /nfs/dbraw/zinc/89/81/80/822898180.db2.gz YEIGAOCAZYXJCW-QHCPKHFHSA-N 1 0 392.547 4.210 20 0 GIADRO C[C@H](Oc1ccccc1NC(=O)N1CCC[N@@H+](C2CCCC2)CC1)C(F)(F)F ZINC000569268569 822898593 /nfs/dbraw/zinc/89/85/93/822898593.db2.gz JJFDDCICROCEFB-HNNXBMFYSA-N 1 0 399.457 4.498 20 0 GIADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC2(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000569271631 822898884 /nfs/dbraw/zinc/89/88/84/822898884.db2.gz CUSRPSDVJOBLRO-OAHLLOKOSA-N 1 0 383.458 4.114 20 0 GIADRO COC(=O)c1cc(C[NH2+]C2(c3ccc(C(F)(F)F)cc3)CCCC2)cn1C ZINC000569272478 822899308 /nfs/dbraw/zinc/89/93/08/822899308.db2.gz LJSSUVUFNRYHEW-UHFFFAOYSA-N 1 0 380.410 4.390 20 0 GIADRO C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+]CC1CCC(c2ccccc2)CC1 ZINC000569272185 822899360 /nfs/dbraw/zinc/89/93/60/822899360.db2.gz JUPHPWSISFRBDG-JSOIOWGOSA-N 1 0 375.516 4.349 20 0 GIADRO C[C@@H]([NH2+]C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)c1cncc(F)c1 ZINC000186465625 822899657 /nfs/dbraw/zinc/89/96/57/822899657.db2.gz PTRBVLVETMXYCA-CYBMUJFWSA-N 1 0 395.400 4.195 20 0 GIADRO CC1(C)C[C@H]([NH2+]C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)C(C)(C)O1 ZINC000186467362 822900064 /nfs/dbraw/zinc/90/00/64/822900064.db2.gz FFOXNSBLXQBRDI-KRWDZBQOSA-N 1 0 398.469 4.246 20 0 GIADRO C[C@H]1OCC[C@]1(O)C[N@H+](Cc1ccc(C(F)(F)F)s1)Cc1ccccc1 ZINC000569276021 822900111 /nfs/dbraw/zinc/90/01/11/822900111.db2.gz JOIYIPRUFRSUBG-KDOFPFPSSA-N 1 0 385.451 4.309 20 0 GIADRO Cc1c(Cl)cncc1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000457643237 822900267 /nfs/dbraw/zinc/90/02/67/822900267.db2.gz CSVKBFWBBWUYIZ-NQIIRXRSSA-N 1 0 383.923 4.170 20 0 GIADRO Cc1ccc(SC[C@@H](C)[NH2+][C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)cc1 ZINC000186473669 822901026 /nfs/dbraw/zinc/90/10/26/822901026.db2.gz OVAVFZIEYORXGA-HUUCEWRRSA-N 1 0 381.538 4.369 20 0 GIADRO CCCC(=O)Nc1cccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c1 ZINC000569282088 822901160 /nfs/dbraw/zinc/90/11/60/822901160.db2.gz VHZZAGMWHZNNTD-UWJYYQICSA-N 1 0 394.519 4.210 20 0 GIADRO CC(C)Oc1ccc([C@@H](C[NH2+]Cc2cc3ccccc3[nH]c2=O)N(C)C)cc1 ZINC000569285276 822901642 /nfs/dbraw/zinc/90/16/42/822901642.db2.gz GJCSYVOMXUUFLT-JOCHJYFZSA-N 1 0 379.504 4.120 20 0 GIADRO C[C@@H](C[NH2+][C@@H](CO)Cc1c[nH]c2ccccc12)c1ccc(C(F)(F)F)cc1 ZINC000569291203 822902458 /nfs/dbraw/zinc/90/24/58/822902458.db2.gz WPFWMFIUHDNPIO-KBXCAEBGSA-N 1 0 376.422 4.483 20 0 GIADRO CCNC(=O)c1cccc(NC(=O)C[NH2+][C@H](c2ccc(Cl)cc2)C(C)C)c1 ZINC000054667286 822903032 /nfs/dbraw/zinc/90/30/32/822903032.db2.gz SUZIHWILNOODTK-FQEVSTJZSA-N 1 0 387.911 4.015 20 0 GIADRO CC[NH+](CC)CCCNC(=O)c1ccc(NC(=O)[C@@H](C)C2CCC2)cc1Cl ZINC000457664748 822903420 /nfs/dbraw/zinc/90/34/20/822903420.db2.gz JUTMLQDKZYULOZ-HNNXBMFYSA-N 1 0 393.959 4.176 20 0 GIADRO O=C(CC[N@@H+]1CCc2sccc2C1)N[C@@H](c1cccs1)c1ccccc1 ZINC000054670684 822903574 /nfs/dbraw/zinc/90/35/74/822903574.db2.gz FYGVWJUHNXPZPI-OAQYLSRUSA-N 1 0 382.554 4.464 20 0 GIADRO Cn1nc(CC[NH2+]C2CCN(Cc3ccccc3Cl)CC2)c2ccccc21 ZINC000186490694 822903920 /nfs/dbraw/zinc/90/39/20/822903920.db2.gz PVPYNAFKLBQHIX-UHFFFAOYSA-N 1 0 382.939 4.023 20 0 GIADRO Cc1noc(C2CC[NH+](Cc3ccc(C(=O)Nc4ccccc4)cc3)CC2)n1 ZINC000054677939 822904903 /nfs/dbraw/zinc/90/49/03/822904903.db2.gz IUQYIHSKSSNFFR-UHFFFAOYSA-N 1 0 376.460 4.010 20 0 GIADRO C[C@@H](Sc1ccccc1)c1ccc(NC(=O)N2CCN(CCO)C[C@H]2C)cc1 ZINC000569311239 822905727 /nfs/dbraw/zinc/90/57/27/822905727.db2.gz SOLKHXRIMHVZST-QZTJIDSGSA-N 1 0 399.560 4.070 20 0 GIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCc2coc(-c3cccs3)n2)C1 ZINC000054717789 822907330 /nfs/dbraw/zinc/90/73/30/822907330.db2.gz RITOGFYRBKLSDV-RDJZCZTQSA-N 1 0 396.516 4.038 20 0 GIADRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)N2CCC(C(=O)c3ccccc3)CC2)C1 ZINC000054726121 822907785 /nfs/dbraw/zinc/90/77/85/822907785.db2.gz WRCLROUYQFBBNG-OALUTQOASA-N 1 0 399.579 4.047 20 0 GIADRO COc1ccc2c(c1)oc(C(=O)NCC1(C)CC[NH2+]CC1)c2-c1ccccc1 ZINC000569331606 822908596 /nfs/dbraw/zinc/90/85/96/822908596.db2.gz AHMGFTBMGRGOFH-UHFFFAOYSA-N 1 0 378.472 4.228 20 0 GIADRO COc1ccc([C@@H](CNC(=O)N[C@@H](C)c2ccc(C)s2)[NH+]2CCCC2)cc1 ZINC000054733068 822908923 /nfs/dbraw/zinc/90/89/23/822908923.db2.gz QVSYBFCFNWSSKU-QFBILLFUSA-N 1 0 387.549 4.262 20 0 GIADRO C[C@]1(C[NH3+])CCN(CC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)C1 ZINC000569341409 822909366 /nfs/dbraw/zinc/90/93/66/822909366.db2.gz WMOJQZTWROHOIG-HXUWFJFHSA-N 1 0 389.952 4.100 20 0 GIADRO CCOC(C)(C)C[NH2+]Cc1cc(Br)ccc1OCc1ccccn1 ZINC000186533028 822909691 /nfs/dbraw/zinc/90/96/91/822909691.db2.gz AKIMMYXNELFCSO-UHFFFAOYSA-N 1 0 393.325 4.328 20 0 GIADRO CC[C@@H](C(=O)N1CCC([NH2+][C@H](C)c2cn3ccccc3n2)CC1)c1ccccc1 ZINC000569355228 822910934 /nfs/dbraw/zinc/91/09/34/822910934.db2.gz CLUYNPIEERLKNL-WIYYLYMNSA-N 1 0 390.531 4.170 20 0 GIADRO Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCC[NH+]1CCC(C)CC1 ZINC000054779898 822912228 /nfs/dbraw/zinc/91/22/28/822912228.db2.gz JHNHINTZZJTZSK-UHFFFAOYSA-N 1 0 396.318 4.419 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCC1)N[C@@H]1CCCOc2ccc(F)cc21 ZINC000054784877 822913094 /nfs/dbraw/zinc/91/30/94/822913094.db2.gz DHQFVYHQYKGBFZ-OAQYLSRUSA-N 1 0 397.494 4.135 20 0 GIADRO Cc1csc([C@@H](C)C[NH2+][C@@H](C)CC(=O)N(C)Cc2ccccc2Cl)n1 ZINC000186562037 822913616 /nfs/dbraw/zinc/91/36/16/822913616.db2.gz VWTHPJHHQGTJHX-KBPBESRZSA-N 1 0 379.957 4.235 20 0 GIADRO Cc1csc([C@H](C)C[NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)n1 ZINC000186562885 822913801 /nfs/dbraw/zinc/91/38/01/822913801.db2.gz FOZCBXDDONCQGF-NEPJUHHUSA-N 1 0 396.354 4.324 20 0 GIADRO CC(C)(C[NH2+]C1CCN(Cc2cccnc2)CC1)c1cccc(Cl)c1F ZINC000186566550 822914435 /nfs/dbraw/zinc/91/44/35/822914435.db2.gz IOADVQVAYMADDH-UHFFFAOYSA-N 1 0 375.919 4.406 20 0 GIADRO Cc1csc([C@H](C)C[NH2+][C@@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)n1 ZINC000186567507 822914601 /nfs/dbraw/zinc/91/46/01/822914601.db2.gz RHCRYLZSAHBXGS-KGLIPLIRSA-N 1 0 379.957 4.235 20 0 GIADRO Cc1csc([C@@H](C)C[NH2+][C@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)n1 ZINC000186567528 822914626 /nfs/dbraw/zinc/91/46/26/822914626.db2.gz RHCRYLZSAHBXGS-UONOGXRCSA-N 1 0 379.957 4.235 20 0 GIADRO CC[C@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCO2)c1ccc2c(c1)OCCO2 ZINC000054809864 822915062 /nfs/dbraw/zinc/91/50/62/822915062.db2.gz IASJJZHCQGYBKL-INIZCTEOSA-N 1 0 375.852 4.123 20 0 GIADRO CC[N@@H+]1CCC[C@@H](CN(C)C(=O)Cc2cccc(C(C)C)c2)[C@@H]1c1cnn(C)c1 ZINC000457755240 822915294 /nfs/dbraw/zinc/91/52/94/822915294.db2.gz YMCYNRJGVNECEB-XUZZJYLKSA-N 1 0 396.579 4.018 20 0 GIADRO CC(C)[C@@H](CN(C)Cc1ccccc1)[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000186573265 822915615 /nfs/dbraw/zinc/91/56/15/822915615.db2.gz MXGGJUPPGUSCBF-HXUWFJFHSA-N 1 0 385.518 4.149 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000054839479 822916917 /nfs/dbraw/zinc/91/69/17/822916917.db2.gz KPBPDDRSMDEVPP-RYQLBKOJSA-N 1 0 384.549 4.106 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)N2CC(c3cccc(C(F)(F)F)c3)C2)c1 ZINC000457772820 822917558 /nfs/dbraw/zinc/91/75/58/822917558.db2.gz KHFJZGSHJCYLEB-UHFFFAOYSA-N 1 0 391.437 4.076 20 0 GIADRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)c3cncc(C(F)(F)F)c3)cc2)C1 ZINC000569407930 822918106 /nfs/dbraw/zinc/91/81/06/822918106.db2.gz VJPNYXZAWRJSEW-CQSZACIVSA-N 1 0 393.409 4.073 20 0 GIADRO O=C(Cc1ccc(Cl)cc1Cl)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000186591269 822919200 /nfs/dbraw/zinc/91/92/00/822919200.db2.gz ZMOSJBPPPWCIAS-SFHVURJKSA-N 1 0 392.330 4.102 20 0 GIADRO Cc1cc(SC(C)(C)C)ccc1NC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000186590766 822919232 /nfs/dbraw/zinc/91/92/32/822919232.db2.gz OZIWDFNKXNWYFC-UHFFFAOYSA-N 1 0 375.542 4.288 20 0 GIADRO COC[C@@]1(C[NH2+][C@@H](C)c2ccc(SC)c(OC)c2)OCCc2ccccc21 ZINC000569413399 822919369 /nfs/dbraw/zinc/91/93/69/822919369.db2.gz DNWKMBNBDOLFIK-KSFYIVLOSA-N 1 0 387.545 4.182 20 0 GIADRO Cc1cc(Br)c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)s1 ZINC000457791401 822919761 /nfs/dbraw/zinc/91/97/61/822919761.db2.gz BSPDKLDZGOXEOV-CJNGLKHVSA-N 1 0 393.350 4.212 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](C)c1cccc(OC)c1 ZINC000175268147 822919835 /nfs/dbraw/zinc/91/98/35/822919835.db2.gz AMKUBWQAIJIXNV-FPOVZHCZSA-N 1 0 380.532 4.169 20 0 GIADRO C[C@@H]1CN(C(=O)c2ccc(Oc3cccc(Cl)c3)cn2)CC[N@@H+](C2CC2)C1 ZINC000457803440 822920835 /nfs/dbraw/zinc/92/08/35/822920835.db2.gz AYHZOYXSDIGMOR-HNNXBMFYSA-N 1 0 385.895 4.084 20 0 GIADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc(Oc2cccc(Cl)c2)cn1 ZINC000457807009 822921319 /nfs/dbraw/zinc/92/13/19/822921319.db2.gz PAQRXYORSCFKDF-NVXWUHKLSA-N 1 0 385.895 4.226 20 0 GIADRO O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)c1ccc(-c2cncnc2)cc1F ZINC000186600263 822921439 /nfs/dbraw/zinc/92/14/39/822921439.db2.gz UXOAPEKVHHVGDP-FQEVSTJZSA-N 1 0 396.510 4.057 20 0 GIADRO CC1(C)OCc2cc(C[NH+]3CCC(C(=O)Nc4ccccc4)CC3)ccc2O1 ZINC000186600298 822921514 /nfs/dbraw/zinc/92/15/14/822921514.db2.gz AUPIJHRJADJHGB-UHFFFAOYSA-N 1 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ZINC000054941332 822923413 /nfs/dbraw/zinc/92/34/13/822923413.db2.gz CWMHXKKDUMDHSG-UHFFFAOYSA-N 1 0 395.359 4.339 20 0 GIADRO Cc1cc2occ(CC(=O)N(Cc3ccccn3)[C@H]3CCC[NH2+]CC3)c2cc1C ZINC000186612750 822923527 /nfs/dbraw/zinc/92/35/27/822923527.db2.gz XWVIBRZDXKNCOJ-NRFANRHFSA-N 1 0 391.515 4.158 20 0 GIADRO COc1ccc(C[NH2+]Cc2cncc(Br)c2)c(C(F)(F)F)c1 ZINC000186615700 822923949 /nfs/dbraw/zinc/92/39/49/822923949.db2.gz UIDIXJYFIIXYSV-UHFFFAOYSA-N 1 0 375.188 4.161 20 0 GIADRO CC[C@H]([NH2+][C@H](C)c1sc(Cc2ccc(OC)c(OC)c2)nc1C)C(C)(C)O ZINC000569442385 822923990 /nfs/dbraw/zinc/92/39/90/822923990.db2.gz KUPDAXRGGJFMSH-ACJLOTCBSA-N 1 0 392.565 4.260 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)N1CCc2sccc2C1 ZINC000054950942 822924486 /nfs/dbraw/zinc/92/44/86/822924486.db2.gz GETUDNQYVPUWLP-UHFFFAOYSA-N 1 0 389.952 4.134 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1(c2ccc(F)cc2)CC1 ZINC000175285526 822924492 /nfs/dbraw/zinc/92/44/92/822924492.db2.gz JGUQLLXHYAADAL-HXUWFJFHSA-N 1 0 380.507 4.228 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(-c2cccs2)on1 ZINC000175285758 822924591 /nfs/dbraw/zinc/92/45/91/822924591.db2.gz FXIZNEQAYWLLGC-SFHVURJKSA-N 1 0 395.528 4.387 20 0 GIADRO Cc1ccc(NC(=S)NC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1F ZINC000054954826 822924880 /nfs/dbraw/zinc/92/48/80/822924880.db2.gz IWOQDKQCZZPBIZ-UHFFFAOYSA-N 1 0 375.488 4.224 20 0 GIADRO CCCN(C(=O)c1cc(C)n(-c2ccc(Cl)c(Cl)c2)n1)C1CC[NH2+]CC1 ZINC000569454455 822925116 /nfs/dbraw/zinc/92/51/16/822925116.db2.gz JEZTVBXPGSSSGF-UHFFFAOYSA-N 1 0 395.334 4.092 20 0 GIADRO CSCCCN(C)C(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000569455151 822925460 /nfs/dbraw/zinc/92/54/60/822925460.db2.gz AOROBACFVDOVPM-UHFFFAOYSA-N 1 0 381.611 4.481 20 0 GIADRO COc1cc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)ccc1OCC(F)(F)F ZINC000569463389 822926113 /nfs/dbraw/zinc/92/61/13/822926113.db2.gz HSLIPIXXMNXNOW-WMZOPIPTSA-N 1 0 385.426 4.170 20 0 GIADRO CCCCOc1ccc([C@@H](C)NC(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)cc1OC ZINC000457864731 822926735 /nfs/dbraw/zinc/92/67/35/822926735.db2.gz KBBVERBWEBSPIX-MJGOQNOKSA-N 1 0 391.556 4.059 20 0 GIADRO COc1ccc(C[C@H]2CCC[N@@H+]([C@@H](C)c3nc(-c4cccnc4)no3)C2)cc1 ZINC000569467221 822926743 /nfs/dbraw/zinc/92/67/43/822926743.db2.gz ZHGSOTYDKOZRCO-FUHWJXTLSA-N 1 0 378.476 4.156 20 0 GIADRO COc1ccccc1NC(=O)c1ccc(NC(=O)CC[NH2+][C@H]2CCC2(C)C)cc1 ZINC000569470013 822926781 /nfs/dbraw/zinc/92/67/81/822926781.db2.gz DPPSIONKLMVAPV-FQEVSTJZSA-N 1 0 395.503 4.054 20 0 GIADRO Cc1cccc(C)c1Oc1ccccc1NC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000569474024 822927347 /nfs/dbraw/zinc/92/73/47/822927347.db2.gz IDIRYYVTYBYRCP-LJQANCHMSA-N 1 0 390.487 4.469 20 0 GIADRO CC(C)[C@H]1N(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC12CCCCC2 ZINC000457878147 822927809 /nfs/dbraw/zinc/92/78/09/822927809.db2.gz VYAUIUXDQDCYDD-OAQYLSRUSA-N 1 0 384.568 4.046 20 0 GIADRO Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H](c2cnn(C)c2)c2ccc(F)cc2)c1C ZINC000186640154 822928133 /nfs/dbraw/zinc/92/81/33/822928133.db2.gz UOTZFCJNKCSUGE-QMHKHESXSA-N 1 0 394.494 4.272 20 0 GIADRO CC(C)(C)OC1CC([NH2+]Cc2cccc(-c3nc(CC(F)(F)F)no3)c2)C1 ZINC000569491224 822929181 /nfs/dbraw/zinc/92/91/81/822929181.db2.gz QEGDMDIPRCERNF-UHFFFAOYSA-N 1 0 383.414 4.277 20 0 GIADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cc2ccccc2s1 ZINC000175304403 822930048 /nfs/dbraw/zinc/93/00/48/822930048.db2.gz ATFLEVGRHOQTOC-UHFFFAOYSA-N 1 0 395.528 4.304 20 0 GIADRO C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+]1C[C@H](c2cnn(C)c2)C(C)(C)C1 ZINC000569501242 822930651 /nfs/dbraw/zinc/93/06/51/822930651.db2.gz NCNSRBJFYNZKFE-RDTXWAMCSA-N 1 0 399.926 4.234 20 0 GIADRO O=C(Nc1ccccc1)NC1CC[NH+](Cc2cc(-c3ccccc3)no2)CC1 ZINC000055031906 822932527 /nfs/dbraw/zinc/93/25/27/822932527.db2.gz BQZVWMKDSRKUGM-UHFFFAOYSA-N 1 0 376.460 4.128 20 0 GIADRO O=C(Nc1ccccc1)NC1CC[NH+](Cc2ccc(F)c3cccnc23)CC1 ZINC000055032566 822932796 /nfs/dbraw/zinc/93/27/96/822932796.db2.gz ZLTXQVXSBGNVBH-UHFFFAOYSA-N 1 0 378.451 4.160 20 0 GIADRO O=C(Nc1cccc(-c2ccccc2)c1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000569520528 822933911 /nfs/dbraw/zinc/93/39/11/822933911.db2.gz JQCDULOYLDCKKO-DHIUTWEWSA-N 1 0 393.531 4.243 20 0 GIADRO Oc1ccc(Br)c(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)c1 ZINC000569531870 822935448 /nfs/dbraw/zinc/93/54/48/822935448.db2.gz OCOFJMSEDFKSMQ-QWFCFKBJSA-N 1 0 388.305 4.159 20 0 GIADRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NCCC[C@@H]2CCCCO2)c1 ZINC000186686379 822937154 /nfs/dbraw/zinc/93/71/54/822937154.db2.gz UUJKDGIMQMYKPK-QHCPKHFHSA-N 1 0 380.532 4.398 20 0 GIADRO Cc1ccc(Cc2cnc(NC(=O)N3CC[C@H]([NH+]4CCCC4)C3)s2)cc1C ZINC000569541288 822937188 /nfs/dbraw/zinc/93/71/88/822937188.db2.gz MBIDYWXRGFKNAG-SFHVURJKSA-N 1 0 384.549 4.053 20 0 GIADRO O[C@H](COc1cccc2[nH]ccc21)CN1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000569545589 822937793 /nfs/dbraw/zinc/93/77/93/822937793.db2.gz NJZGZMJVUYTPPH-HRAATJIYSA-N 1 0 390.487 4.011 20 0 GIADRO Cn1cc(-c2ncc(C[NH2+][C@H]3CCC[C@@H](c4cccc(Cl)c4)C3)cn2)cn1 ZINC000569543910 822937830 /nfs/dbraw/zinc/93/78/30/822937830.db2.gz KPNPFNFDGLSRHO-XLIONFOSSA-N 1 0 381.911 4.347 20 0 GIADRO O=C(CC[NH+]1CCC(c2ccc(O)cc2)CC1)Nc1ccc(Cl)cc1F ZINC000055103422 822938474 /nfs/dbraw/zinc/93/84/74/822938474.db2.gz RLLZAHASDQJLCH-UHFFFAOYSA-N 1 0 376.859 4.393 20 0 GIADRO CCOc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1sc(CCOC)nc1C)CCO2 ZINC000186695218 822939136 /nfs/dbraw/zinc/93/91/36/822939136.db2.gz JVFZJHPRAWNSBV-DYVFJYSZSA-N 1 0 376.522 4.214 20 0 GIADRO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1ccc(-c2cncnc2)cc1F ZINC000186697354 822939630 /nfs/dbraw/zinc/93/96/30/822939630.db2.gz RZVZJANRRURMAG-UHFFFAOYSA-N 1 0 390.462 4.173 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000457941089 822941326 /nfs/dbraw/zinc/94/13/26/822941326.db2.gz REHPQWMZSQRVNV-JTSKRJEESA-N 1 0 398.576 4.307 20 0 GIADRO COc1ccccc1[C@@H]1CC[C@@H](C)CN1C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000569574764 822941586 /nfs/dbraw/zinc/94/15/86/822941586.db2.gz OGJPJSBALGCIJN-IERDGZPVSA-N 1 0 379.504 4.346 20 0 GIADRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(N3CCCS3(=O)=O)c(F)c2)cc1C ZINC000186712775 822942768 /nfs/dbraw/zinc/94/27/68/822942768.db2.gz YXEWWPCOHCCKNP-QGZVFWFLSA-N 1 0 390.524 4.142 20 0 GIADRO C[C@H](NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)c1c(F)cccc1F ZINC000457961814 822944462 /nfs/dbraw/zinc/94/44/62/822944462.db2.gz PFFKTAOYIIKSBV-LBPRGKRZSA-N 1 0 393.400 4.084 20 0 GIADRO O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)NCCC[NH+]1CCCC1 ZINC000055194736 822944801 /nfs/dbraw/zinc/94/48/01/822944801.db2.gz OACSVOGZDLKYSA-UHFFFAOYSA-N 1 0 396.318 4.183 20 0 GIADRO COc1ccc(C2(C[NH2+][C@H]3CCc4c3ccc(OC)c4F)CCOCC2)cc1 ZINC000569617751 822945542 /nfs/dbraw/zinc/94/55/42/822945542.db2.gz OWIJKROHYAYMRR-FQEVSTJZSA-N 1 0 385.479 4.168 20 0 GIADRO C[C@H](C[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1)c1nccs1 ZINC000186728422 822945878 /nfs/dbraw/zinc/94/58/78/822945878.db2.gz YOOIAMUKKWXHOW-NEPJUHHUSA-N 1 0 382.327 4.016 20 0 GIADRO C[C@@H](C[NH2+]CCC(=O)Nc1cccc(Br)c1)c1ccc(F)cc1 ZINC000569620911 822945951 /nfs/dbraw/zinc/94/59/51/822945951.db2.gz HGEYMDQZKPAIEQ-ZDUSSCGKSA-N 1 0 379.273 4.310 20 0 GIADRO COc1ccc(C[N@@H+]2CCCN(C(=O)CCc3ccc(Cl)cc3)CC2)cc1 ZINC000055209539 822945985 /nfs/dbraw/zinc/94/59/85/822945985.db2.gz BQNUMBPRAHNGHZ-UHFFFAOYSA-N 1 0 386.923 4.016 20 0 GIADRO CC[N@@H+]1CCC[C@H]1CNC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 ZINC000055209351 822946126 /nfs/dbraw/zinc/94/61/26/822946126.db2.gz CCUJZDYXJGBNIZ-AWEZNQCLSA-N 1 0 396.318 4.182 20 0 GIADRO CN(CC[N@H+](C)C1CC1)C(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1 ZINC000186734269 822947000 /nfs/dbraw/zinc/94/70/00/822947000.db2.gz BLHHFMFCEGQROL-UHFFFAOYSA-N 1 0 393.462 4.314 20 0 GIADRO CCO[C@@H]1C[C@]([NH3+])(C(=O)Nc2ccc3c(c2)c2ccccc2n3CC)C1(C)C ZINC000186734813 822947300 /nfs/dbraw/zinc/94/73/00/822947300.db2.gz LTEDLHUHWGKEEO-OFNKIYASSA-N 1 0 379.504 4.285 20 0 GIADRO CCOCc1ccc(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000175369893 822949029 /nfs/dbraw/zinc/94/90/29/822949029.db2.gz PYDJICSOBGGGIH-XXBNENTESA-N 1 0 395.547 4.075 20 0 GIADRO Brc1cnn(CCC[NH2+]Cc2cccc(OC3CCCC3)c2)c1 ZINC000569644749 822949356 /nfs/dbraw/zinc/94/93/56/822949356.db2.gz KVJIJRUXXPBMQX-UHFFFAOYSA-N 1 0 378.314 4.147 20 0 GIADRO C[N@H+](CCCNC(=O)N1CCC[C@@H]1C[C@H](O)c1cccs1)C1CCCCC1 ZINC000175375090 822950842 /nfs/dbraw/zinc/95/08/42/822950842.db2.gz VGVPFRLORZYVRZ-MOPGFXCFSA-N 1 0 393.597 4.000 20 0 GIADRO COc1ccc(CCC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1Cl ZINC000055311177 822950875 /nfs/dbraw/zinc/95/08/75/822950875.db2.gz FSVWPDPSHNFWMS-QGZVFWFLSA-N 1 0 392.952 4.296 20 0 GIADRO Cc1cnc([C@@H](C)C[NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)s1 ZINC000186767450 822951997 /nfs/dbraw/zinc/95/19/97/822951997.db2.gz NVFUVPUKGMLYPI-NWDGAFQWSA-N 1 0 396.354 4.324 20 0 GIADRO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+]3CC3CCN(C(=O)C(C)(C)C)CC3)nc2c1 ZINC000569675953 822954061 /nfs/dbraw/zinc/95/40/61/822954061.db2.gz LMUYODPOHVESEE-FQEVSTJZSA-N 1 0 382.552 4.293 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)NCc3cccnc3OC3CCCC3)ccc21 ZINC000569681711 822954895 /nfs/dbraw/zinc/95/48/95/822954895.db2.gz OCIQMLPMVZANPH-NRFANRHFSA-N 1 0 394.519 4.274 20 0 GIADRO Cc1ccc(Nc2ccccc2C(=O)N2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1 ZINC000569685492 822955219 /nfs/dbraw/zinc/95/52/19/822955219.db2.gz UVEMXKSOLLAHCL-AUSIDOKSSA-N 1 0 393.531 4.097 20 0 GIADRO O=C(N[C@@H]1CCOc2c(Cl)cccc21)c1ccccc1CC1CC[NH2+]CC1 ZINC000569694859 822956154 /nfs/dbraw/zinc/95/61/54/822956154.db2.gz WXONARYHLOJXDD-HXUWFJFHSA-N 1 0 384.907 4.136 20 0 GIADRO O=C(NCC1=CC[NH2+]CC1)N[C@H](c1ccc(Cl)cc1)c1ccccc1Cl ZINC000569695304 822956350 /nfs/dbraw/zinc/95/63/50/822956350.db2.gz RDEGKPKNUAPVNP-LJQANCHMSA-N 1 0 390.314 4.302 20 0 GIADRO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CCC(=O)Nc1cccc(Cl)c1 ZINC000175390256 822956395 /nfs/dbraw/zinc/95/63/95/822956395.db2.gz AMSAVMJCJXGMAZ-PWECECGKSA-N 1 0 378.925 4.099 20 0 GIADRO C[C@@H](CC(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccc(F)cc1F ZINC000569712368 822957992 /nfs/dbraw/zinc/95/79/92/822957992.db2.gz AEQQQEBIOZCTEQ-DKICVRJWSA-N 1 0 390.449 4.107 20 0 GIADRO Cc1csc([C@@H](NC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)C2CC2)n1 ZINC000175399621 822959445 /nfs/dbraw/zinc/95/94/45/822959445.db2.gz NOPPBYNZKLPRMZ-IBGZPJMESA-N 1 0 386.565 4.242 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)NCc2ccc(Cl)s2)CC[N@@H+]1Cc1ccccc1 ZINC000175400138 822959473 /nfs/dbraw/zinc/95/94/73/822959473.db2.gz YHILXZUDWDRJJB-GDBMZVCRSA-N 1 0 377.941 4.254 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)N(C3CC3)C3CCCC3)CC2)cc1 ZINC000175402093 822960090 /nfs/dbraw/zinc/96/00/90/822960090.db2.gz MWGLBOSYOBWDRI-UHFFFAOYSA-N 1 0 385.552 4.024 20 0 GIADRO COc1ccc(CN2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(C)c1OC ZINC000569741587 822961760 /nfs/dbraw/zinc/96/17/60/822961760.db2.gz QCCMZFGGOGHLHM-XMMPIXPASA-N 1 0 380.532 4.110 20 0 GIADRO CC[C@H]([NH2+][C@H]1CCCc2c(O)cccc21)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000569751949 822963510 /nfs/dbraw/zinc/96/35/10/822963510.db2.gz XAFFFTOEPNUUBF-QNWVGRARSA-N 1 0 376.504 4.327 20 0 GIADRO C[N@@H+]1CCC[C@H](CCNC(=O)[C@@H]2CC=CC[C@H]2c2nc3ccccc3s2)C1 ZINC000458157628 822963695 /nfs/dbraw/zinc/96/36/95/822963695.db2.gz CUGKYMNHWOODSO-KZNAEPCWSA-N 1 0 383.561 4.194 20 0 GIADRO C[N@@H+]1CCC[C@@H](CCNC(=O)CCCCc2ccc(Br)cc2)C1 ZINC000458167258 822964361 /nfs/dbraw/zinc/96/43/61/822964361.db2.gz MKKIIXYVVLADCV-KRWDZBQOSA-N 1 0 381.358 4.010 20 0 GIADRO CN(c1ccc(C(=O)Nc2cccc(Cl)c2)cn1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000569756745 822964413 /nfs/dbraw/zinc/96/44/13/822964413.db2.gz NHJSUWMFSSIJOF-DFNIBXOVSA-N 1 0 384.911 4.049 20 0 GIADRO Cc1cc(CCCC(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c(C)s1 ZINC000175420320 822964650 /nfs/dbraw/zinc/96/46/50/822964650.db2.gz SHTBFEOSYZVKFO-KKSFZXQISA-N 1 0 385.577 4.109 20 0 GIADRO CCC[N@H+](Cc1cnc(Cl)s1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000175423365 822965053 /nfs/dbraw/zinc/96/50/53/822965053.db2.gz JHVZBOYIZSTHCP-UHFFFAOYSA-N 1 0 377.941 4.313 20 0 GIADRO C[C@H]([NH2+]C[C@H](c1ccccc1)C(F)(F)F)c1ccc(NS(C)(=O)=O)cc1 ZINC000186839306 822965043 /nfs/dbraw/zinc/96/50/43/822965043.db2.gz 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C[N@@H+]1CCC[C@@H](CCNC(=O)CCCC(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000458187154 822966465 /nfs/dbraw/zinc/96/64/65/822966465.db2.gz IDCSEFCGGUXPIB-AWEZNQCLSA-N 1 0 385.335 4.195 20 0 GIADRO Cc1cc(NC(=O)C(C)(C)Cc2nc3ccccc3[nH]2)ccc1OCC[NH+](C)C ZINC000458195604 822967379 /nfs/dbraw/zinc/96/73/79/822967379.db2.gz GCZLHFBEQPQYAH-UHFFFAOYSA-N 1 0 394.519 4.019 20 0 GIADRO COc1ccc(OCC[NH2+]C2(c3cccc(C(F)(F)F)c3)CCOCC2)cc1 ZINC000569779258 822967693 /nfs/dbraw/zinc/96/76/93/822967693.db2.gz UEDXUIXQIJNXNY-UHFFFAOYSA-N 1 0 395.421 4.388 20 0 GIADRO O=C(c1ccccc1)C1CC[NH+](C[C@@H](O)CO[C@@H]2CCCc3ccccc32)CC1 ZINC000055471813 822967787 /nfs/dbraw/zinc/96/77/87/822967787.db2.gz FWTBVCDIUMLNLK-ISKFKSNPSA-N 1 0 393.527 4.036 20 0 GIADRO O=C(c1ccc(C[NH2+]Cc2ccc(Br)cc2F)cc1)N1CCCC1 ZINC000055472612 822967794 /nfs/dbraw/zinc/96/77/94/822967794.db2.gz OBLQQURHQIMOHF-UHFFFAOYSA-N 1 0 391.284 4.114 20 0 GIADRO Cc1cccc(-c2nc(CC(=O)N(CC[NH+](C)C)Cc3ccsc3)cs2)c1 ZINC000458204517 822968505 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C[NH+](C)CC1CCN(c2ccc(NC(=O)c3c(F)ccc(F)c3F)cc2)CC1 ZINC000186869975 822971658 /nfs/dbraw/zinc/97/16/58/822971658.db2.gz FXIYQBXXABJRMJ-UHFFFAOYSA-N 1 0 391.437 4.134 20 0 GIADRO COc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccsc2)cc1-c1ccccn1 ZINC000458234609 822972064 /nfs/dbraw/zinc/97/20/64/822972064.db2.gz YPSPSFRDNVUDBE-UHFFFAOYSA-N 1 0 395.528 4.023 20 0 GIADRO CCc1noc(C2CCC([NH2+]C[C@H](C3CC3)N(C)Cc3ccccc3)CC2)n1 ZINC000186875534 822972726 /nfs/dbraw/zinc/97/27/26/822972726.db2.gz DMFJAXCFFPPSBN-XVAXZDLZSA-N 1 0 382.552 4.158 20 0 GIADRO CN(C)C(=O)CCC[N@H+](Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 ZINC000569821642 822972833 /nfs/dbraw/zinc/97/28/33/822972833.db2.gz ATUJTTPKSOKLBU-UHFFFAOYSA-N 1 0 380.319 4.259 20 0 GIADRO CN(C(=O)NCc1ccc(F)c(Cl)c1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458246078 822973514 /nfs/dbraw/zinc/97/35/14/822973514.db2.gz NFSBHONROKJJGZ-UHFFFAOYSA-N 1 0 395.828 4.037 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)Nc2ccc(C)cc2-c2nc(C3CC3)no2)CC1 ZINC000175457444 822973854 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GIADRO CCN(CCOc1ccc(SC)cc1)CC(=O)Nc1c(F)cccc1F ZINC000175476944 822978439 /nfs/dbraw/zinc/97/84/39/822978439.db2.gz BCXIDJFJUNWVNV-UHFFFAOYSA-N 1 0 380.460 4.026 20 0 GIADRO Cc1cccc2c(CCNC(=O)c3oc4ccccc4c3C[NH+](C)C)c[nH]c21 ZINC000175478016 822978566 /nfs/dbraw/zinc/97/85/66/822978566.db2.gz UXNWZNWHKLFNLD-UHFFFAOYSA-N 1 0 375.472 4.257 20 0 GIADRO CCC[N@H+](C)[C@H](CNC(=O)c1nc(C2CC2)oc1C)c1ccc(Cl)cc1 ZINC000569874946 822979351 /nfs/dbraw/zinc/97/93/51/822979351.db2.gz DJMBYGGDDVFKES-QGZVFWFLSA-N 1 0 375.900 4.327 20 0 GIADRO Cc1cc(C(=O)Nc2ccc(OCC[NH+](C)C)c(F)c2)nn1C1CCCCC1 ZINC000458296248 822980001 /nfs/dbraw/zinc/98/00/01/822980001.db2.gz QXMJXTVQZUHUAL-UHFFFAOYSA-N 1 0 388.487 4.029 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)c2ccccc2COC(C)(C)C)cc1F ZINC000458300499 822980303 /nfs/dbraw/zinc/98/03/03/822980303.db2.gz VAHNUDHXBGMIOX-UHFFFAOYSA-N 1 0 388.483 4.334 20 0 GIADRO Cc1cccc(C)c1NC(=O)CCC[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186939605 822983724 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20 0 GIADRO C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000569957543 822989919 /nfs/dbraw/zinc/98/99/19/822989919.db2.gz IIPBCNZANIITGP-NSHDSACASA-N 1 0 381.954 4.383 20 0 GIADRO COc1cc(NC(=O)CC[NH2+]Cc2ccc(C3CCC3)cc2)cc(OC)c1OC ZINC000569962488 822990310 /nfs/dbraw/zinc/99/03/10/822990310.db2.gz ZPYMTPGZICOMFP-UHFFFAOYSA-N 1 0 398.503 4.098 20 0 GIADRO COc1ccc([C@H](Cc2ccccc2)[NH2+]Cc2cc(=O)n3cccc(C)c3n2)cc1 ZINC000569973022 822991778 /nfs/dbraw/zinc/99/17/78/822991778.db2.gz TUDWYRDYSXTYQD-QHCPKHFHSA-N 1 0 399.494 4.085 20 0 GIADRO Nc1c(Br)cc(Br)cc1C[NH2+]Cc1cccs1 ZINC000186983192 822992205 /nfs/dbraw/zinc/99/22/05/822992205.db2.gz KEEWCAWGWAOFHJ-UHFFFAOYSA-N 1 0 376.117 4.145 20 0 GIADRO Cc1noc2nc(-c3ccc(C)cc3)cc(C(=O)N(C)CC3([NH+](C)C)CCC3)c12 ZINC000186988356 822993063 /nfs/dbraw/zinc/99/30/63/822993063.db2.gz MQHVBFBQZUFKPG-UHFFFAOYSA-N 1 0 392.503 4.063 20 0 GIADRO CCC[N@@H+]1CC[C@@H](CNC(=O)N(CCc2ccc(C)cc2)Cc2ccco2)C1 ZINC000175554358 822996201 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386.565 4.112 20 0 GIADRO Cc1cnc2cc(C(=O)N3CCC[C@H]3Cc3ccccc3Br)ccn12 ZINC000570060437 823001684 /nfs/dbraw/zinc/00/16/84/823001684.db2.gz VEHSDZHMURSWBN-KRWDZBQOSA-N 1 0 398.304 4.253 20 0 GIADRO Cc1ccc(Oc2ccccc2NC(=O)N2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000175580361 823001676 /nfs/dbraw/zinc/00/16/76/823001676.db2.gz ZUZFXTLFRAXOEL-UHFFFAOYSA-N 1 0 395.503 4.116 20 0 GIADRO C[C@@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000175583919 823001946 /nfs/dbraw/zinc/00/19/46/823001946.db2.gz XHDSFTDWXBOOTR-CQSZACIVSA-N 1 0 383.458 4.473 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1oc2ccccc2c1COc1ccccc1)C1CC1 ZINC000055718432 823002722 /nfs/dbraw/zinc/00/27/22/823002722.db2.gz GJELXPWADPOSAM-FQEVSTJZSA-N 1 0 378.472 4.082 20 0 GIADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)CCCc2ccc(C)s2)c1 ZINC000570068864 823002942 /nfs/dbraw/zinc/00/29/42/823002942.db2.gz KUWIENKCKOXCGM-UHFFFAOYSA-N 1 0 387.549 4.298 20 0 GIADRO C[C@H](Cc1cnn(C)c1)[NH2+][C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000570076754 823003701 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c1ccc(N2CC[NH+](CCc3ccncc3)CC2)c(N[C@H]2CC[C@@H]2C2CC2)c1 ZINC000570103328 823006130 /nfs/dbraw/zinc/00/61/30/823006130.db2.gz UXFVCSRPNAHFHT-YADHBBJMSA-N 1 0 376.548 4.047 20 0 GIADRO O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)[C@H]1CCc2cccc(O)c21 ZINC000570115854 823007119 /nfs/dbraw/zinc/00/71/19/823007119.db2.gz VVUZHJOHKOPDIW-RBUKOAKNSA-N 1 0 384.907 4.029 20 0 GIADRO CC[C@H](Oc1ccccc1F)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000175620918 823008136 /nfs/dbraw/zinc/00/81/36/823008136.db2.gz FDIWJHMLSSPKCN-GFSYIJCISA-N 1 0 396.506 4.295 20 0 GIADRO C[C@@H](C[NH2+][C@@H](C)c1ncc(Br)cc1F)N1CCc2sccc2C1 ZINC000187086296 823008708 /nfs/dbraw/zinc/00/87/08/823008708.db2.gz HACPWDFRVYDPHO-RYUDHWBXSA-N 1 0 398.345 4.142 20 0 GIADRO CC(C)[C@H](CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)c1cccnc1 ZINC000175625125 823008825 /nfs/dbraw/zinc/00/88/25/823008825.db2.gz YNFCGTSHHPIQTR-OALUTQOASA-N 1 0 386.565 4.019 20 0 GIADRO C[C@H]([NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccc1)C1CCS(=O)(=O)CC1 ZINC000187093044 823009686 /nfs/dbraw/zinc/00/96/86/823009686.db2.gz UBEHDMPCRZNKHF-HRAATJIYSA-N 1 0 391.964 4.427 20 0 GIADRO C[C@H]1C[C@@H](NC(=O)N(C)CCc2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000175631435 823009786 /nfs/dbraw/zinc/00/97/86/823009786.db2.gz TWVWHXJEWCMMDV-AVRDEDQJSA-N 1 0 383.511 4.063 20 0 GIADRO CC1CCN([C@H](C[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)c2cccs2)CC1 ZINC000187093762 823009943 /nfs/dbraw/zinc/00/99/43/823009943.db2.gz UTVQGOGNTQXDEZ-OAQYLSRUSA-N 1 0 397.588 4.220 20 0 GIADRO CCN(C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)[C@H](C)c1cc2ccccc2o1 ZINC000570147155 823010387 /nfs/dbraw/zinc/01/03/87/823010387.db2.gz FRVIFKRXUFLCKF-LSTHTHJFSA-N 1 0 377.488 4.281 20 0 GIADRO CCN(C(=O)N[C@@H](C)c1cccc(O)c1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000570153073 823010890 /nfs/dbraw/zinc/01/08/90/823010890.db2.gz YXFIHBGHXWOMAR-UEXGIBASSA-N 1 0 381.520 4.320 20 0 GIADRO CN1C(=O)CCc2cc(C[N@@H+]3CCCCC[C@@H]3C[C@H](O)c3ccco3)ccc21 ZINC000187108777 823011629 /nfs/dbraw/zinc/01/16/29/823011629.db2.gz UDCHQYISNCEFHF-CTNGQTDRSA-N 1 0 382.504 4.057 20 0 GIADRO CCCN(CCc1ccccn1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000175642828 823011627 /nfs/dbraw/zinc/01/16/27/823011627.db2.gz VCUTZRWVMVWEGZ-OFNKIYASSA-N 1 0 394.563 4.099 20 0 GIADRO Cc1ccc(NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1NC(=O)C(C)(C)C ZINC000570172934 823012260 /nfs/dbraw/zinc/01/22/60/823012260.db2.gz BCXJTUZWBYUENX-IBGZPJMESA-N 1 0 393.531 4.440 20 0 GIADRO Cc1ccc(-c2c[nH]cc2C(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)s1 ZINC000187112771 823012246 /nfs/dbraw/zinc/01/22/46/823012246.db2.gz NLNBVLHBVFPATF-INIZCTEOSA-N 1 0 394.544 4.402 20 0 GIADRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1cnc(-c2ccsc2)s1 ZINC000175652868 823013334 /nfs/dbraw/zinc/01/33/34/823013334.db2.gz HQEJFNSABUTZFB-UHFFFAOYSA-N 1 0 377.560 4.137 20 0 GIADRO C[C@@H]([NH2+][C@H](Cc1cccc(F)c1)c1cccc(F)c1)C1CCS(=O)(=O)CC1 ZINC000187121535 823013724 /nfs/dbraw/zinc/01/37/24/823013724.db2.gz PMYHTIFIFWMTRV-QVKFZJNVSA-N 1 0 393.499 4.052 20 0 GIADRO c1ccc(C[N@H+]2CCCC[C@@H](CN[C@H](c3ccccc3)c3cncnc3)C2)cc1 ZINC000570205919 823015273 /nfs/dbraw/zinc/01/52/73/823015273.db2.gz ROYWWNGDMQWYSA-WIOPSUGQSA-N 1 0 386.543 4.458 20 0 GIADRO CC[C@@H](NC(=O)C1CC[NH+](C2CCN(CC)CC2)CC1)c1cccc(Cl)c1 ZINC000570222745 823016524 /nfs/dbraw/zinc/01/65/24/823016524.db2.gz FIMNPAFRINZNLC-OAQYLSRUSA-N 1 0 391.987 4.104 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc2c(c1)CCCN2C ZINC000175672381 823017357 /nfs/dbraw/zinc/01/73/57/823017357.db2.gz TXOTYVHCNXYMBR-FQEVSTJZSA-N 1 0 392.547 4.055 20 0 GIADRO C[C@H]([NH2+]Cc1ccc2c(c1)COC(C)(C)O2)c1ccc(N2CCOC2=O)cc1 ZINC000187159271 823019074 /nfs/dbraw/zinc/01/90/74/823019074.db2.gz YEHYCGUEPMGKNP-HNNXBMFYSA-N 1 0 382.460 4.139 20 0 GIADRO C[C@@H](CCC[NH3+])NC(=O)c1sc2cccc(F)c2c1COc1ccccc1 ZINC000570279118 823021960 /nfs/dbraw/zinc/02/19/60/823021960.db2.gz FUXROODFPGKIGQ-AWEZNQCLSA-N 1 0 386.492 4.477 20 0 GIADRO Cc1ccc(Cl)cc1N1CC[C@@H](C[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)C1 ZINC000187186675 823022465 /nfs/dbraw/zinc/02/24/65/823022465.db2.gz RYGOICVALHYQAE-SFHVURJKSA-N 1 0 397.950 4.174 20 0 GIADRO FC(F)(F)c1cccc(C2([NH2+]CCCO[C@H]3CCCCO3)CCOCC2)c1 ZINC000570297034 823023265 /nfs/dbraw/zinc/02/32/65/823023265.db2.gz QBZOJZPHOWVLRG-SFHVURJKSA-N 1 0 387.442 4.234 20 0 GIADRO Cc1nc(-c2ccc(C[NH2+]C[C@@H](O)COc3c(C)cccc3C)cc2)cs1 ZINC000570302188 823023899 /nfs/dbraw/zinc/02/38/99/823023899.db2.gz UYODTXZPTMDSRK-HXUWFJFHSA-N 1 0 382.529 4.265 20 0 GIADRO COc1ccc(Cl)cc1CC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000175704126 823023903 /nfs/dbraw/zinc/02/39/03/823023903.db2.gz FMNURJRTVHDKPI-UHFFFAOYSA-N 1 0 386.923 4.014 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1cc2ccccc2o1 ZINC000175704763 823024119 /nfs/dbraw/zinc/02/41/19/823024119.db2.gz NPCZVMXQYQROIY-LJQANCHMSA-N 1 0 377.488 4.096 20 0 GIADRO C[C@H](NC(=O)c1ccc(-c2nc(C3CC3)no2)cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000187201891 823024248 /nfs/dbraw/zinc/02/42/48/823024248.db2.gz NQFRQRVCTXJMFG-MGPUTAFESA-N 1 0 390.487 4.035 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)NCc2cc3ccccc3o2)[C@@H]1c1cccs1 ZINC000175705570 823024286 /nfs/dbraw/zinc/02/42/86/823024286.db2.gz GVKBVNRHCXXOLU-OXJNMPFZSA-N 1 0 383.517 4.377 20 0 GIADRO CC(=O)Nc1ccc(C)c(C(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)c1 ZINC000187208372 823025150 /nfs/dbraw/zinc/02/51/50/823025150.db2.gz UBBPGZQZQIXYSV-HXUWFJFHSA-N 1 0 399.560 4.218 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH2+]CC[C@H](C)NC(=O)OC(C)(C)C ZINC000187211940 823025646 /nfs/dbraw/zinc/02/56/46/823025646.db2.gz QNGFQRRSROGTMK-INIZCTEOSA-N 1 0 385.508 4.150 20 0 GIADRO CC[C@H](C(=O)Nc1cccc(C(=O)N(CC)CC)c1)[N@H+](C)Cc1ccccc1 ZINC000570321563 823025708 /nfs/dbraw/zinc/02/57/08/823025708.db2.gz LTXZSTGZKPGBAR-OAQYLSRUSA-N 1 0 381.520 4.018 20 0 GIADRO C[C@H]([NH2+]C[C@]1(C)OCCc2sccc21)c1ccc(NC(=O)NC2CC2)cc1 ZINC000570323093 823025750 /nfs/dbraw/zinc/02/57/50/823025750.db2.gz LCNNTVAYRULODV-QKKBWIMNSA-N 1 0 385.533 4.171 20 0 GIADRO [NH3+]C1(c2noc(CSc3ncnc4scc(-c5ccccc5)c43)n2)CCC1 ZINC000570331691 823026471 /nfs/dbraw/zinc/02/64/71/823026471.db2.gz KZYWBATVYBVGTI-UHFFFAOYSA-N 1 0 395.513 4.372 20 0 GIADRO O=C(NC1(c2cccc(Cl)c2)CCCC1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000570342672 823027175 /nfs/dbraw/zinc/02/71/75/823027175.db2.gz LTFQYJMURAZVTL-LJQANCHMSA-N 1 0 392.996 4.443 20 0 GIADRO C[C@H]1CC[N@H+](C)CCN1C(=O)Nc1ccccc1-c1cc(F)c(F)c(F)c1 ZINC000570349126 823027677 /nfs/dbraw/zinc/02/76/77/823027677.db2.gz DSOTZYRGNCMPCT-ZDUSSCGKSA-N 1 0 377.410 4.329 20 0 GIADRO O=C(N[C@@H](c1ccccc1)C1CC1)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000570353121 823028133 /nfs/dbraw/zinc/02/81/33/823028133.db2.gz RFEPFBKIDIFGEP-ZCYQVOJMSA-N 1 0 389.543 4.445 20 0 GIADRO O=C(NCc1nc(C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)cs1)c1ccccc1 ZINC000175733000 823028633 /nfs/dbraw/zinc/02/86/33/823028633.db2.gz MNPWGIBFNFAJGM-IBGZPJMESA-N 1 0 391.540 4.138 20 0 GIADRO COc1cccc(C[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)c1OC1CCCC1 ZINC000187238157 823028955 /nfs/dbraw/zinc/02/89/55/823028955.db2.gz YTNZWNWAFFBLFD-UHFFFAOYSA-N 1 0 394.515 4.215 20 0 GIADRO C[C@@H](NC(=O)c1cccc(OCc2cccnc2)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000187239659 823029094 /nfs/dbraw/zinc/02/90/94/823029094.db2.gz IBTUONHRISLPGQ-JPYJTQIMSA-N 1 0 389.499 4.082 20 0 GIADRO C[C@H](NC(=O)c1cccc(OCc2cccnc2)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000187239641 823029158 /nfs/dbraw/zinc/02/91/58/823029158.db2.gz IBTUONHRISLPGQ-MBSDFSHPSA-N 1 0 389.499 4.082 20 0 GIADRO Cc1coc(C)c1-c1nc(-c2ccc(N3CCC[N@@H+](C)CC3)c(Cl)c2)no1 ZINC000570363946 823029255 /nfs/dbraw/zinc/02/92/55/823029255.db2.gz PCSHTRILNUFQJB-UHFFFAOYSA-N 1 0 386.883 4.409 20 0 GIADRO CC[C@H](NC(=O)c1ccccc1)c1noc(-c2ccc(C[NH+]3CCCC3)cc2)n1 ZINC000570364735 823029474 /nfs/dbraw/zinc/02/94/74/823029474.db2.gz ZSQZGPAYTBYQSV-FQEVSTJZSA-N 1 0 390.487 4.214 20 0 GIADRO C[C@@H]([NH2+]CCCn1cc(CO)nn1)c1ccc(-c2ccc(Cl)cc2F)s1 ZINC000570369751 823030293 /nfs/dbraw/zinc/03/02/93/823030293.db2.gz YQHCCFVCHPGWAI-GFCCVEGCSA-N 1 0 394.903 4.032 20 0 GIADRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)c(C)n1 ZINC000187258436 823031670 /nfs/dbraw/zinc/03/16/70/823031670.db2.gz BVKFJYSUXZWTRL-UHFFFAOYSA-N 1 0 375.875 4.342 20 0 GIADRO C[C@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000570380765 823031719 /nfs/dbraw/zinc/03/17/19/823031719.db2.gz DJNFHNJPODWCMH-CQSZACIVSA-N 1 0 391.437 4.446 20 0 GIADRO C[C@H]([NH2+][C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)C1CCSCC1 ZINC000187261763 823032422 /nfs/dbraw/zinc/03/24/22/823032422.db2.gz MPDXFMYUBMRDGO-HRAATJIYSA-N 1 0 389.586 4.301 20 0 GIADRO Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000175757889 823032921 /nfs/dbraw/zinc/03/29/21/823032921.db2.gz NOPWWMRYMUMTLD-FPOVZHCZSA-N 1 0 387.568 4.025 20 0 GIADRO [NH3+]CC[C@@H]1CCCN(C(=O)c2ccc(-c3ccc(Br)s3)s2)C1 ZINC000570396391 823032938 /nfs/dbraw/zinc/03/29/38/823032938.db2.gz NKCVRYDAXAFYBY-NSHDSACASA-N 1 0 399.379 4.440 20 0 GIADRO C[C@@H]([NH2+]C1(CNC(=O)NCc2cnc(C3CC3)o2)CCCC1)c1ccccc1 ZINC000458373945 823033716 /nfs/dbraw/zinc/03/37/16/823033716.db2.gz NQVFAESCGMWKKR-MRXNPFEDSA-N 1 0 382.508 4.015 20 0 GIADRO CCC(CC)(CNC(=O)N(C)Cc1cccc(C)n1)[NH2+][C@H](C)c1ccccc1 ZINC000458374848 823033889 /nfs/dbraw/zinc/03/38/89/823033889.db2.gz PFGDSJADENBSDH-LJQANCHMSA-N 1 0 382.552 4.441 20 0 GIADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCc2ccccc2COCc2ccccc2)C1 ZINC000175762607 823034044 /nfs/dbraw/zinc/03/40/44/823034044.db2.gz QAULPJCYASTUPT-XZOQPEGZSA-N 1 0 395.547 4.075 20 0 GIADRO C[C@H]([NH2+]C(C)(C)CNC(=O)NCc1ccnc(C(F)(F)F)c1)c1ccccc1 ZINC000458379175 823034515 /nfs/dbraw/zinc/03/45/15/823034515.db2.gz SRCROWMDKCEFKR-AWEZNQCLSA-N 1 0 394.441 4.029 20 0 GIADRO COCCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2c2cccc(Cl)c2)cc1 ZINC000570414049 823034670 /nfs/dbraw/zinc/03/46/70/823034670.db2.gz MNKDNLHJXYSJEY-UNMCSNQZSA-N 1 0 389.923 4.106 20 0 GIADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)N[C@H](Cc3ccccc3)c3cccs3)C2)C1 ZINC000458390224 823035664 /nfs/dbraw/zinc/03/56/64/823035664.db2.gz GNCYCSBNMOHREJ-DENIHFKCSA-N 1 0 383.561 4.159 20 0 GIADRO CCc1cc(N2CCC([NH2+][C@@H]3CCSc4cc(C)c(C)cc43)CC2)ncn1 ZINC000187277275 823035726 /nfs/dbraw/zinc/03/57/26/823035726.db2.gz SWUOSCPLWLEPLJ-HXUWFJFHSA-N 1 0 382.577 4.451 20 0 GIADRO COc1ccccc1Oc1ccc(CNC(=O)NCC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000458388915 823035728 /nfs/dbraw/zinc/03/57/28/823035728.db2.gz YMLKQHUSRIOBJM-LJQANCHMSA-N 1 0 397.519 4.019 20 0 GIADRO CC(C)Cn1c(CC2CCCC2)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000570423431 823035954 /nfs/dbraw/zinc/03/59/54/823035954.db2.gz NWMZQVJOJPGYHI-TZIWHRDSSA-N 1 0 385.600 4.120 20 0 GIADRO CCS[C@H]1CCC[C@H]([NH2+]Cc2cccc(Cl)c2S(=O)(=O)CC)C1 ZINC000187280579 823036130 /nfs/dbraw/zinc/03/61/30/823036130.db2.gz COHAVLYGGXMFCX-GJZGRUSLSA-N 1 0 375.987 4.288 20 0 GIADRO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2ccccc2Br)c2ccccc21 ZINC000570430396 823036984 /nfs/dbraw/zinc/03/69/84/823036984.db2.gz MQSQWQUVPVOMFF-QWQRMKEZSA-N 1 0 376.294 4.027 20 0 GIADRO Cc1ccc(-c2ccc(CNCc3ccncc3OCCC[NH+](C)C)o2)cc1 ZINC000570429440 823037036 /nfs/dbraw/zinc/03/70/36/823037036.db2.gz RDPBMBXAHIDUJY-UHFFFAOYSA-N 1 0 379.504 4.270 20 0 GIADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]C[C@H](c1cccnc1)C(C)C ZINC000187286199 823037107 /nfs/dbraw/zinc/03/71/07/823037107.db2.gz HOHFCOQPQFJDKO-KRWDZBQOSA-N 1 0 380.941 4.058 20 0 GIADRO CC[NH+]1C[C@H](C)N(C(=O)c2cc(-c3ccco3)nc3onc(C(C)C)c32)[C@@H](C)C1 ZINC000570430561 823037285 /nfs/dbraw/zinc/03/72/85/823037285.db2.gz GLHVMXLEGLGDJF-GJZGRUSLSA-N 1 0 396.491 4.161 20 0 GIADRO C[C@H]([NH2+]C1(CNC(=O)Nc2ccc([S@@](C)=O)cc2)CCCC1)c1ccccc1 ZINC000175779133 823038257 /nfs/dbraw/zinc/03/82/57/823038257.db2.gz YHMSQCYIVIXZRL-YMGMXPECSA-N 1 0 399.560 4.209 20 0 GIADRO C[C@@H]1CCC[C@@H](CCNC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000458424613 823038752 /nfs/dbraw/zinc/03/87/52/823038752.db2.gz VFKHEAKWOQMJJW-CVEARBPZSA-N 1 0 377.495 4.261 20 0 GIADRO CC(C)(C)c1ccc([C@H]2CCCN2C(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)cc1 ZINC000570440516 823038901 /nfs/dbraw/zinc/03/89/01/823038901.db2.gz XBQPRSGEXQTHRN-LEWJYISDSA-N 1 0 380.536 4.082 20 0 GIADRO O=C(NCCCCC[NH+]1CCCCC1)N1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000458428537 823039152 /nfs/dbraw/zinc/03/91/52/823039152.db2.gz LSHUYRCXFOGBSX-NRFANRHFSA-N 1 0 397.567 4.456 20 0 GIADRO C[C@H](Cc1ccccc1Br)[NH2+]Cc1ccc2c(c1)CCC(=O)N2C ZINC000187298516 823039120 /nfs/dbraw/zinc/03/91/20/823039120.db2.gz FYMMCTWCUMZYPC-CQSZACIVSA-N 1 0 387.321 4.079 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)C1CCSCC1 ZINC000187299753 823039381 /nfs/dbraw/zinc/03/93/81/823039381.db2.gz MSGKEKHHGGFPBD-RISCZKNCSA-N 1 0 393.906 4.454 20 0 GIADRO CC[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccsc1)c1cc(F)ccc1F ZINC000458439948 823040556 /nfs/dbraw/zinc/04/05/56/823040556.db2.gz GRHGOXFLELPJLH-SFHVURJKSA-N 1 0 381.492 4.251 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)N[C@]2(C)C[C@H]2c2ccccc2)[C@H]1c1cccs1 ZINC000458445329 823041379 /nfs/dbraw/zinc/04/13/79/823041379.db2.gz YKMQLFUTHPPMID-YSNWRPKNSA-N 1 0 383.561 4.376 20 0 GIADRO Cc1c(F)cccc1NC(=O)CC[NH2+]Cc1cc(Br)ccc1F ZINC000570469757 823041862 /nfs/dbraw/zinc/04/18/62/823041862.db2.gz WLPIBQNOQUZQCI-UHFFFAOYSA-N 1 0 383.236 4.154 20 0 GIADRO Cc1cc(C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)c(C)cc1Cl ZINC000570468896 823042030 /nfs/dbraw/zinc/04/20/30/823042030.db2.gz LGQUORBSZIPOAG-UHFFFAOYSA-N 1 0 386.923 4.360 20 0 GIADRO CN(C(=O)N[C@@H]1C[C@H]1C1CCCCC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458452956 823042207 /nfs/dbraw/zinc/04/22/07/823042207.db2.gz YAFQROLUJKSRPU-DLBZAZTESA-N 1 0 375.479 4.013 20 0 GIADRO Cc1ccccc1[C@H]([C@H](C)NC(=O)Nc1ccc(-c2csnn2)cc1)[NH+](C)C ZINC000570473386 823042787 /nfs/dbraw/zinc/04/27/87/823042787.db2.gz WPOYMOKNPIGFLL-YWZLYKJASA-N 1 0 395.532 4.326 20 0 GIADRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)Nc1ccc(-c2csnn2)cc1)[NH+](C)C ZINC000570473385 823042915 /nfs/dbraw/zinc/04/29/15/823042915.db2.gz WPOYMOKNPIGFLL-QRWLVFNGSA-N 1 0 395.532 4.326 20 0 GIADRO Cc1cc(C[NH+]2CCSCC2)ccc1NCc1ccc2c(c1)CCC(=O)N2C ZINC000187320365 823043050 /nfs/dbraw/zinc/04/30/50/823043050.db2.gz JBJUOJGGISBWQB-UHFFFAOYSA-N 1 0 395.572 4.065 20 0 GIADRO CN(C(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458462607 823043793 /nfs/dbraw/zinc/04/37/93/823043793.db2.gz RRQQAJCGZZRCJP-HRCADAONSA-N 1 0 375.479 4.013 20 0 GIADRO COc1cc(C[NH2+]CC[C@@H]2C[C@@H](C)O[C@@H](C)C2)cc(OC)c1OCC(F)F ZINC000570480081 823043864 /nfs/dbraw/zinc/04/38/64/823043864.db2.gz OXJBENKXBISFAC-QDMKHBRRSA-N 1 0 387.467 4.031 20 0 GIADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000175805960 823044652 /nfs/dbraw/zinc/04/46/52/823044652.db2.gz NVYPJJFIGJNTMA-NRFANRHFSA-N 1 0 399.560 4.106 20 0 GIADRO COc1ccc(OCc2ccccn2)c(C[N@@H+]2CCC[C@H]2c2ccncc2)c1 ZINC000570486373 823044796 /nfs/dbraw/zinc/04/47/96/823044796.db2.gz VSXOIZJOBKCLMG-QFIPXVFZSA-N 1 0 375.472 4.401 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)c2ncoc2-c2ccccc2Cl)[NH+](C)C)cc1 ZINC000460919616 823542319 /nfs/dbraw/zinc/54/23/19/823542319.db2.gz CAKMIRBWNVTUEM-GOSISDBHSA-N 1 0 383.879 4.336 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cccc(NC(=O)C2CCCCC2)c1 ZINC000177892834 823542445 /nfs/dbraw/zinc/54/24/45/823542445.db2.gz HJZJJSUMLBCFII-RTWAWAEBSA-N 1 0 398.551 4.296 20 0 GIADRO C[C@@H](C(=O)Nc1cccc2ccccc21)N1CC[NH+](CC2CCCCC2)CC1 ZINC000060569152 823543432 /nfs/dbraw/zinc/54/34/32/823543432.db2.gz OMSJIJJHCWTYKG-IBGZPJMESA-N 1 0 379.548 4.365 20 0 GIADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C ZINC000123830217 823543840 /nfs/dbraw/zinc/54/38/40/823543840.db2.gz UVXIJEHRIXJFDL-MRXNPFEDSA-N 1 0 385.556 4.130 20 0 GIADRO CCOc1c(Cl)cc(C(=O)N2CC[NH+](CC3CCCCC3)CC2)cc1OC ZINC000060579092 823544332 /nfs/dbraw/zinc/54/43/32/823544332.db2.gz JIGJZAZJPLNNKQ-UHFFFAOYSA-N 1 0 394.943 4.085 20 0 GIADRO O=C(Cc1csc(Cc2ccccc2)n1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000060578887 823544357 /nfs/dbraw/zinc/54/43/57/823544357.db2.gz ZHDRUPDAIPLTAH-UHFFFAOYSA-N 1 0 397.588 4.001 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)c1ccc2ccccc2n1 ZINC000177908562 823544930 /nfs/dbraw/zinc/54/49/30/823544930.db2.gz WYRHFLALSOMUSM-ZDUSSCGKSA-N 1 0 384.277 4.287 20 0 GIADRO CCN(Cc1c[nH]c2ccccc12)C(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000190163749 823545050 /nfs/dbraw/zinc/54/50/50/823545050.db2.gz SYJSCYBAXQQOIW-JOCHJYFZSA-N 1 0 394.519 4.011 20 0 GIADRO CC[C@H](C)Oc1cc(C[N@@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)ccc1OC ZINC000123848349 823545380 /nfs/dbraw/zinc/54/53/80/823545380.db2.gz RFJNNILQMFFQFS-PKOBYXMFSA-N 1 0 390.568 4.247 20 0 GIADRO C[C@H](C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1)c1cccc(Cl)c1 ZINC000460933140 823545426 /nfs/dbraw/zinc/54/54/26/823545426.db2.gz NDSXAFGJKUFRCF-KRWDZBQOSA-N 1 0 382.935 4.493 20 0 GIADRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCOc1cccc2ccccc21 ZINC000177911830 823545477 /nfs/dbraw/zinc/54/54/77/823545477.db2.gz WCOWOIRPKGJDRM-HNNXBMFYSA-N 1 0 383.879 4.274 20 0 GIADRO CC(C)Cn1c(-c2ccoc2)nnc1N1CCC(c2ncc3n2CCCC3)CC1 ZINC000460935718 823545795 /nfs/dbraw/zinc/54/57/95/823545795.db2.gz PREGFXYAAQBSND-UHFFFAOYSA-N 1 0 394.523 4.111 20 0 GIADRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)[C@H]1CCSc2ccccc21 ZINC000460936598 823546178 /nfs/dbraw/zinc/54/61/78/823546178.db2.gz ZJJQBVOZVKVJNJ-APWZRJJASA-N 1 0 386.586 4.356 20 0 GIADRO CCc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000177920279 823546322 /nfs/dbraw/zinc/54/63/22/823546322.db2.gz UYIOLKREQUUIGK-OTWHNJEPSA-N 1 0 380.532 4.349 20 0 GIADRO CCOc1ccc(NC(=O)C[NH2+][C@H](C)[C@H](C)c2nc3ccccc3s2)cc1 ZINC000177928203 823547338 /nfs/dbraw/zinc/54/73/38/823547338.db2.gz QLKYZLOWZNXFOF-LSDHHAIUSA-N 1 0 383.517 4.415 20 0 GIADRO O=C(C1CC[NH+](C2CC2)CC1)N1CCCc2cc(Cl)cc(Br)c21 ZINC000411107498 823547441 /nfs/dbraw/zinc/54/74/41/823547441.db2.gz GEMRTMPOWHAJET-UHFFFAOYSA-N 1 0 397.744 4.256 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1sc(Cl)nc1C ZINC000177930596 823547443 /nfs/dbraw/zinc/54/74/43/823547443.db2.gz DTSNOVBYZIYLHD-MRXNPFEDSA-N 1 0 377.941 4.089 20 0 GIADRO COC[C@H]([NH2+][C@H]1CCN(C(=O)C2CCCCC2)C1)c1cccc(C(F)(F)F)c1 ZINC000123873383 823548268 /nfs/dbraw/zinc/54/82/68/823548268.db2.gz LPVNUYUHQARXJR-OALUTQOASA-N 1 0 398.469 4.164 20 0 GIADRO CC(C)COc1ccccc1CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000060619981 823548522 /nfs/dbraw/zinc/54/85/22/823548522.db2.gz NANNIXKFAVQDED-UHFFFAOYSA-N 1 0 395.547 4.317 20 0 GIADRO Cc1ncc(/C=C/C(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)s1 ZINC000123878866 823548665 /nfs/dbraw/zinc/54/86/65/823548665.db2.gz CNZBFSWKVJYHHV-LXPKZCDLSA-N 1 0 393.915 4.066 20 0 GIADRO CC1CC[NH+]([C@@H](CNC(=O)N(C)Cc2ccc(F)cc2)c2ccccc2)CC1 ZINC000060630578 823549338 /nfs/dbraw/zinc/54/93/38/823549338.db2.gz RHSPCGAJORVZQV-QFIPXVFZSA-N 1 0 383.511 4.440 20 0 GIADRO CC1CC[NH+](C2CCC(NC(=O)N[C@@H]3COc4cccc(Cl)c43)CC2)CC1 ZINC000460951333 823549387 /nfs/dbraw/zinc/54/93/87/823549387.db2.gz VZDHLZDSFRLHCY-LEOMRAHMSA-N 1 0 391.943 4.116 20 0 GIADRO O=C(c1ccc(Cl)cc1)C1CC[NH+](CC2CCC3(CC2)OCCO3)CC1 ZINC000190197248 823549654 /nfs/dbraw/zinc/54/96/54/823549654.db2.gz MDABAJVIHNFPRY-UHFFFAOYSA-N 1 0 377.912 4.168 20 0 GIADRO CC[NH2+]Cc1cccc(NC(=O)CSc2ncnc3sc(C)c(C)c32)c1 ZINC000123908311 823550837 /nfs/dbraw/zinc/55/08/37/823550837.db2.gz VZZWXEIGFHSNBD-UHFFFAOYSA-N 1 0 386.546 4.148 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2ccc(OCc3ccccn3)cc2)C1 ZINC000460961330 823551238 /nfs/dbraw/zinc/55/12/38/823551238.db2.gz UYZTZOTVLQHDSL-KDURUIRLSA-N 1 0 395.547 4.147 20 0 GIADRO O=C(NCC[NH+]1CCCCC1)c1ccc(CSc2nc3ccccc3[nH]2)cc1 ZINC000060666368 823551311 /nfs/dbraw/zinc/55/13/11/823551311.db2.gz QLFYLJUAEBGTSU-UHFFFAOYSA-N 1 0 394.544 4.071 20 0 GIADRO Cc1cccc(C)c1NC(=O)CN(C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411153296 823552344 /nfs/dbraw/zinc/55/23/44/823552344.db2.gz IMPRXVUNKNGCBA-UHFFFAOYSA-N 1 0 379.548 4.360 20 0 GIADRO C[N@@H+]1CC[C@@H](CNC(=O)c2cc3ccccc3[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123932308 823552761 /nfs/dbraw/zinc/55/27/61/823552761.db2.gz WDJHTHRKPZSKQP-YWZLYKJASA-N 1 0 385.870 4.383 20 0 GIADRO CC[C@H](C(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1)c1ccc(F)cc1 ZINC000460969982 823552941 /nfs/dbraw/zinc/55/29/41/823552941.db2.gz OYNVEFCMANAKOL-PZJWPPBQSA-N 1 0 384.495 4.281 20 0 GIADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)C1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC000460973605 823553645 /nfs/dbraw/zinc/55/36/45/823553645.db2.gz NMFIZCOQFHVCGA-KRWDZBQOSA-N 1 0 380.454 4.260 20 0 GIADRO Cc1ccc2ncc(C[N@@H+]3CCC[C@H](c4nnc5n4CCCCC5)C3)cc2c1 ZINC000411169601 823553956 /nfs/dbraw/zinc/55/39/56/823553956.db2.gz RRIMEIYCGKPEKA-IBGZPJMESA-N 1 0 375.520 4.241 20 0 GIADRO Cc1nn(-c2ccccc2)cc1C[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000123945026 823554033 /nfs/dbraw/zinc/55/40/33/823554033.db2.gz YKHYFDKYPXXNIO-UHFFFAOYSA-N 1 0 375.501 4.032 20 0 GIADRO CC(C)(C)CC[NH+]1CCN(C(=O)c2ncoc2-c2ccccc2Cl)CC1 ZINC000460977150 823554356 /nfs/dbraw/zinc/55/43/56/823554356.db2.gz GLFNYRUIXUABFR-UHFFFAOYSA-N 1 0 375.900 4.189 20 0 GIADRO CC[C@@H](C(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1)c1ccc(F)cc1 ZINC000460980793 823555177 /nfs/dbraw/zinc/55/51/77/823555177.db2.gz NVQHVYRLZIPOMZ-HSZRJFAPSA-N 1 0 398.522 4.356 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)[C@@H](C)c1cccc(F)c1)[NH+]1CCCCC1 ZINC000460983734 823555765 /nfs/dbraw/zinc/55/57/65/823555765.db2.gz LFWIAWJXYDFJRV-LAUBAEHRSA-N 1 0 384.495 4.281 20 0 GIADRO Cc1cc(C)c(Br)c(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000460983975 823555788 /nfs/dbraw/zinc/55/57/88/823555788.db2.gz VBFCKOZRKFZDSX-INIZCTEOSA-N 1 0 381.358 4.450 20 0 GIADRO O=C(N[C@@H]1CCSc2ccc(Cl)cc21)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000411191387 823555859 /nfs/dbraw/zinc/55/58/59/823555859.db2.gz BSCMWLSZVFKSPD-DOTOQJQBSA-N 1 0 397.009 4.211 20 0 GIADRO O=C(C[C@H](Cc1ccccc1)c1ccccc1)NC1CC[NH+](CC2CC2)CC1 ZINC000460985275 823556013 /nfs/dbraw/zinc/55/60/13/823556013.db2.gz XDLIBLVTJXMYDA-QHCPKHFHSA-N 1 0 376.544 4.394 20 0 GIADRO C[N@@H+]1CC[C@H](CNC(=O)CCCc2ccccn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123967526 823556313 /nfs/dbraw/zinc/55/63/13/823556313.db2.gz WYRCTSBENAPUTC-IERDGZPVSA-N 1 0 389.902 4.006 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(C)cc(C)c1Br)c1ccco1 ZINC000460990481 823556507 /nfs/dbraw/zinc/55/65/07/823556507.db2.gz ZRXZDWCVHLPPSN-INIZCTEOSA-N 1 0 393.325 4.472 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@@H]1C[C@]1(F)c1ccccc1 ZINC000411201759 823556864 /nfs/dbraw/zinc/55/68/64/823556864.db2.gz SMPRDOGJJHRIBJ-UNMCSNQZSA-N 1 0 386.898 4.306 20 0 GIADRO C[C@H](CC(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)c1ccncc1 ZINC000123975232 823556994 /nfs/dbraw/zinc/55/69/94/823556994.db2.gz IJFBKSLCYBJDKM-DAESXHAQSA-N 1 0 389.902 4.177 20 0 GIADRO Cc1nc(Cl)ccc1C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123976435 823557175 /nfs/dbraw/zinc/55/71/75/823557175.db2.gz CQAAUWUKYCDWQZ-SCLBCKFNSA-N 1 0 396.293 4.259 20 0 GIADRO O=C(C[C@H](c1ccc(O)cc1)C1CC1)NCc1ccccc1C[NH+]1CCCC1 ZINC000411204129 823557261 /nfs/dbraw/zinc/55/72/61/823557261.db2.gz ZYNRTEPKDOSRKQ-QHCPKHFHSA-N 1 0 378.516 4.188 20 0 GIADRO COc1cccc(NCc2nnc(SCC[NH+](C)C)n2C2CCCCC2)c1 ZINC000060791931 823557879 /nfs/dbraw/zinc/55/78/79/823557879.db2.gz HHORJIMYHQMQIP-UHFFFAOYSA-N 1 0 389.569 4.058 20 0 GIADRO CCSc1cc(Cl)ccc1C(=O)N1CCC(OCC[NH+](CC)CC)CC1 ZINC000461004236 823557864 /nfs/dbraw/zinc/55/78/64/823557864.db2.gz VMBRUJMSFZYMEA-UHFFFAOYSA-N 1 0 399.000 4.415 20 0 GIADRO C[N@H+](CCC(=O)N[C@@H](c1cccs1)c1ccccc1)[C@@H](CO)c1ccccc1 ZINC000411217610 823557865 /nfs/dbraw/zinc/55/78/65/823557865.db2.gz ANXHFEBRAAOGKR-NZQKXSOJSA-N 1 0 394.540 4.009 20 0 GIADRO O[C@@H](C[N@@H+](Cc1ccccc1)CC1CCC2(CC1)OCCO2)c1cccs1 ZINC000190274352 823558323 /nfs/dbraw/zinc/55/83/23/823558323.db2.gz PBZAAPZSDUQRHN-FQEVSTJZSA-N 1 0 387.545 4.217 20 0 GIADRO COc1cc(C[NH2+]C(C)C)ccc1OCCOc1cccc(Br)c1 ZINC000060806123 823559040 /nfs/dbraw/zinc/55/90/40/823559040.db2.gz DKLFAUHMJMXWKG-UHFFFAOYSA-N 1 0 394.309 4.414 20 0 GIADRO CN(C)[C@@H](C[NH2+]Cc1ccc(OC(F)F)cc1OC(F)F)c1cccs1 ZINC000060828405 823560559 /nfs/dbraw/zinc/56/05/59/823560559.db2.gz GSNRQVQBVAKOMD-ZDUSSCGKSA-N 1 0 392.418 4.343 20 0 GIADRO COc1ccc2oc(C[NH2+]Cc3ccc(C)nc3-n3cc(Cl)cn3)cc2c1 ZINC000190303371 823560717 /nfs/dbraw/zinc/56/07/17/823560717.db2.gz SHWKBRNPDZOBSD-UHFFFAOYSA-N 1 0 382.851 4.274 20 0 GIADRO Brc1ccc(OCc2ccccc2)c(C[NH2+]CCn2ccnc2)c1 ZINC000060831225 823560741 /nfs/dbraw/zinc/56/07/41/823560741.db2.gz CDGWHRGCLDKHRG-UHFFFAOYSA-N 1 0 386.293 4.014 20 0 GIADRO CCCOc1c(Br)cc(C[NH2+][C@@H](C)c2ccccn2)cc1OC ZINC000060830465 823560799 /nfs/dbraw/zinc/56/07/99/823560799.db2.gz OAGVCIXCUOHHPI-ZDUSSCGKSA-N 1 0 379.298 4.492 20 0 GIADRO CCOc1cc(C[NH2+]C[C@@H](Cc2ccccc2)N(C)C)cc(Cl)c1OC ZINC000060832013 823560983 /nfs/dbraw/zinc/56/09/83/823560983.db2.gz NPVDTUDUCZVXPA-GOSISDBHSA-N 1 0 376.928 4.010 20 0 GIADRO COc1cc(Br)c(C[NH2+]CCCN(C)c2ccccc2)cc1OC ZINC000060833652 823561157 /nfs/dbraw/zinc/56/11/57/823561157.db2.gz FQARXHAFQIWIJG-UHFFFAOYSA-N 1 0 393.325 4.082 20 0 GIADRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)Cc1ccc(Br)cc1 ZINC000060847825 823561919 /nfs/dbraw/zinc/56/19/19/823561919.db2.gz GUHXZBQJBPQRTR-AZUAARDMSA-N 1 0 399.332 4.135 20 0 GIADRO O=C(c1ccc(O)cc1)C1CC[NH+](Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000124039368 823562231 /nfs/dbraw/zinc/56/22/31/823562231.db2.gz GCWNLSDSPGYCJE-UHFFFAOYSA-N 1 0 379.435 4.016 20 0 GIADRO CC[C@@H](C(=O)N[C@@H]1c2ccccc2CC12CCOCC2)[N@H+](C)Cc1ccccc1 ZINC000461033834 823562680 /nfs/dbraw/zinc/56/26/80/823562680.db2.gz MYMJAKCDZSXYFH-XZOQPEGZSA-N 1 0 392.543 4.107 20 0 GIADRO O=C(N[C@@H]1c2ccccc2CC12CCOCC2)c1cccc(C[NH+]2CCCC2)c1 ZINC000461035138 823562876 /nfs/dbraw/zinc/56/28/76/823562876.db2.gz YYPJRFQFPKRLPA-HSZRJFAPSA-N 1 0 390.527 4.106 20 0 GIADRO CCS[C@H]1CC[C@H]([N@H+](C)CCC(=O)Nc2ccccc2Br)C1 ZINC000411298182 823563041 /nfs/dbraw/zinc/56/30/41/823563041.db2.gz NHDZUEDYGPVYBX-KBPBESRZSA-N 1 0 385.371 4.384 20 0 GIADRO CC1(C(=O)N[C@@H]2CCCc3c(O)cccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000190326330 823563113 /nfs/dbraw/zinc/56/31/13/823563113.db2.gz GQNFEORDQUJDHU-OAQYLSRUSA-N 1 0 378.516 4.188 20 0 GIADRO CC(C)(C)OC(=O)C1CCC([NH2+]C2CCN(C(=O)C3CCCCC3)CC2)CC1 ZINC000124053370 823563372 /nfs/dbraw/zinc/56/33/72/823563372.db2.gz WGLCRKGPUYYWCD-UHFFFAOYSA-N 1 0 392.584 4.048 20 0 GIADRO O=C(CC[N@@H+]1CCC[C@@H]1CC1CCCCC1)Nc1ccc(N2CCOCC2)cc1 ZINC000060892795 823565094 /nfs/dbraw/zinc/56/50/94/823565094.db2.gz XMVGSXZELPSCOV-HSZRJFAPSA-N 1 0 399.579 4.287 20 0 GIADRO O=C(CC[N@@H+]1CCS[C@@H]2CCCC[C@@H]21)Nc1ccccc1Br ZINC000411340813 823565418 /nfs/dbraw/zinc/56/54/18/823565418.db2.gz YJWYJRDKJRAWKH-JKSUJKDBSA-N 1 0 383.355 4.138 20 0 GIADRO Cc1c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cnn1CCC(C)C ZINC000124076270 823565497 /nfs/dbraw/zinc/56/54/97/823565497.db2.gz QGSTYYVWHBSVHC-NQIIRXRSSA-N 1 0 382.552 4.021 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)CSCc2ccc(Cl)cc2Cl)CC[N@@H+]1C ZINC000124077035 823565505 /nfs/dbraw/zinc/56/55/05/823565505.db2.gz OJZQOJXBBFAWJP-SWLSCSKDSA-N 1 0 375.365 4.168 20 0 GIADRO COc1ccc2sc(C(=O)NCc3ccc(F)c(C[NH+](C)C)c3)c(C)c2c1 ZINC000461055436 823566931 /nfs/dbraw/zinc/56/69/31/823566931.db2.gz QLYHULQORNNRQL-UHFFFAOYSA-N 1 0 386.492 4.349 20 0 GIADRO CC(C)([NH2+]CCC(=O)NC(c1ccccc1)c1ccccc1)c1nccs1 ZINC000411372250 823567098 /nfs/dbraw/zinc/56/70/98/823567098.db2.gz BYKKLZUNUNGNGB-UHFFFAOYSA-N 1 0 379.529 4.264 20 0 GIADRO CC[C@@](C)([NH2+]CCC(=O)Nc1cc(Cl)ccc1OC)c1nc(C)cs1 ZINC000411381991 823567984 /nfs/dbraw/zinc/56/79/84/823567984.db2.gz FWUCHXQKHBWOOJ-GOSISDBHSA-N 1 0 381.929 4.357 20 0 GIADRO COc1ccccc1CNC(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000060937507 823568130 /nfs/dbraw/zinc/56/81/30/823568130.db2.gz HIBJYXLSOFHOMY-OALUTQOASA-N 1 0 395.547 4.173 20 0 GIADRO O=c1nc(C[NH2+]C2(CCO)CCCCC2)[nH]c2scc(-c3ccccc3)c21 ZINC000411383259 823568209 /nfs/dbraw/zinc/56/82/09/823568209.db2.gz DDHAAVJWFBKXMV-UHFFFAOYSA-N 1 0 383.517 4.239 20 0 GIADRO C[C@@H](Nc1ccc([NH+]2CCCCCC2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000060943103 823568328 /nfs/dbraw/zinc/56/83/28/823568328.db2.gz DPSFJTJKERHQHJ-MRXNPFEDSA-N 1 0 382.464 4.414 20 0 GIADRO CCCCOc1ccc(NC(=O)C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)c(C)c1 ZINC000411386838 823568513 /nfs/dbraw/zinc/56/85/13/823568513.db2.gz KLWBTFINKSDMLT-UHFFFAOYSA-N 1 0 397.519 4.121 20 0 GIADRO C[C@@](O)(C[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1)c1ccsc1 ZINC000124111849 823568661 /nfs/dbraw/zinc/56/86/61/823568661.db2.gz LJYDNRUUOPVQQD-HXUWFJFHSA-N 1 0 388.920 4.373 20 0 GIADRO COc1ccc(C[NH2+][C@H](C)c2ccc3c(c2)CCO3)cc1OCc1cccnc1 ZINC000060950853 823568918 /nfs/dbraw/zinc/56/89/18/823568918.db2.gz ASTUMTOSEGZIOK-QGZVFWFLSA-N 1 0 390.483 4.455 20 0 GIADRO C[C@H]([NH2+][C@H](CO)Cc1c[nH]c2ccccc12)c1ccc(F)cc1OC(F)F ZINC000124129951 823570178 /nfs/dbraw/zinc/57/01/78/823570178.db2.gz DYJSJGCJUJRWAQ-WFASDCNBSA-N 1 0 378.394 4.163 20 0 GIADRO COC(=O)c1ccc(C)c(NC(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)c1 ZINC000060971795 823570299 /nfs/dbraw/zinc/57/02/99/823570299.db2.gz PSDZEXQHMWXRKK-NRFANRHFSA-N 1 0 395.503 4.049 20 0 GIADRO CN(Cc1cn(C)nc1C(F)(F)F)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411399662 823570451 /nfs/dbraw/zinc/57/04/51/823570451.db2.gz RTAMRPVXKINBIR-UHFFFAOYSA-N 1 0 380.458 4.057 20 0 GIADRO O=C(c1ccc(-c2cc(F)c(F)c(F)c2)cc1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000461080120 823572038 /nfs/dbraw/zinc/57/20/38/823572038.db2.gz IAAZWMUFNCZXBK-SFHVURJKSA-N 1 0 388.433 4.471 20 0 GIADRO O=S1(=O)CC[C@@H]([NH2+]Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)C1 ZINC000061002599 823572183 /nfs/dbraw/zinc/57/21/83/823572183.db2.gz PNZYTLYELVLLDF-HXUWFJFHSA-N 1 0 392.524 4.433 20 0 GIADRO Cc1cccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)c1 ZINC000124151380 823572259 /nfs/dbraw/zinc/57/22/59/823572259.db2.gz LGOATUNIUDLPNL-IBGZPJMESA-N 1 0 390.535 4.083 20 0 GIADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2ccc3noc(-c4ccc(F)cc4)c3c2)C1 ZINC000124152897 823572269 /nfs/dbraw/zinc/57/22/69/823572269.db2.gz KEBFDOANRAYLTI-INIZCTEOSA-N 1 0 395.478 4.438 20 0 GIADRO C[C@@H]1CN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000411423705 823572563 /nfs/dbraw/zinc/57/25/63/823572563.db2.gz YLQZAIMASBEDDV-CTUHWIOQSA-N 1 0 397.994 4.387 20 0 GIADRO O=S1(=O)CCCN1c1ccc(C[NH2+][C@@H]2CCC[C@@H]2CCc2ccccc2)cc1 ZINC000461082560 823572616 /nfs/dbraw/zinc/57/26/16/823572616.db2.gz ICFLUXXGQIFJJH-FYYLOGMGSA-N 1 0 398.572 4.118 20 0 GIADRO O=C1CCCCCN1CCC[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000061014568 823572810 /nfs/dbraw/zinc/57/28/10/823572810.db2.gz CQAMZWGUJPUUBZ-UHFFFAOYSA-N 1 0 383.517 4.439 20 0 GIADRO Cc1ccc2c(CC(=O)N(Cc3ccco3)C3CC[NH+](C)CC3)coc2c1C ZINC000124160811 823573296 /nfs/dbraw/zinc/57/32/96/823573296.db2.gz DJYZMQVRTIZDBC-UHFFFAOYSA-N 1 0 380.488 4.308 20 0 GIADRO CC[NH+](CC)CCN(C(=O)c1cccnc1OC)c1cccc(C(F)(F)F)c1 ZINC000461084573 823573282 /nfs/dbraw/zinc/57/32/82/823573282.db2.gz HSWIKDYRVNDZTE-UHFFFAOYSA-N 1 0 395.425 4.098 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCCCOC3CCCC3)cc2)C1 ZINC000061017585 823573362 /nfs/dbraw/zinc/57/33/62/823573362.db2.gz NOSQGNNXAFIDRR-LJQANCHMSA-N 1 0 387.568 4.067 20 0 GIADRO Cc1ccc2ncc(C[NH+]3CCC4(C[C@H]4C(=O)N4CCCCC4)CC3)cc2c1 ZINC000411431376 823573588 /nfs/dbraw/zinc/57/35/88/823573588.db2.gz PWDJJYJTVVMHPF-NRFANRHFSA-N 1 0 377.532 4.158 20 0 GIADRO CC(C)C(=O)NC1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000061021723 823573674 /nfs/dbraw/zinc/57/36/74/823573674.db2.gz UVTFSRWNANKHEZ-UHFFFAOYSA-N 1 0 380.532 4.029 20 0 GIADRO O=S1(=O)CCCN1c1ccc(C[NH2+][C@@H]2CCCC[C@H](c3ccccc3)C2)cc1 ZINC000461085875 823573654 /nfs/dbraw/zinc/57/36/54/823573654.db2.gz VWUDTKIDYKWEAN-FCHUYYIVSA-N 1 0 398.572 4.433 20 0 GIADRO c1cc(C[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)cc(-c2ccncc2)c1 ZINC000124164219 823573740 /nfs/dbraw/zinc/57/37/40/823573740.db2.gz DRWDXAHUXGIZED-QFIPXVFZSA-N 1 0 387.531 4.446 20 0 GIADRO COc1ccc(OC)c([C@@H](C)[NH2+]CCC(=O)Nc2ccc(OC)c(Cl)c2)c1 ZINC000411436700 823573968 /nfs/dbraw/zinc/57/39/68/823573968.db2.gz IGJMZUSFFAHICZ-CYBMUJFWSA-N 1 0 392.883 4.045 20 0 GIADRO COc1ccc(OC)c([C@@H](C)[NH2+]CCC(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000411438406 823574247 /nfs/dbraw/zinc/57/42/47/823574247.db2.gz NGWNNNCWIKZRRX-CYBMUJFWSA-N 1 0 396.409 4.402 20 0 GIADRO CC(C)[C@@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1cc2ccccc2o1 ZINC000461087604 823574277 /nfs/dbraw/zinc/57/42/77/823574277.db2.gz LEFAZLHYAARHLU-JOCHJYFZSA-N 1 0 398.528 4.460 20 0 GIADRO CSc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2cccc(OC(F)F)c2)cc1 ZINC000411441146 823574410 /nfs/dbraw/zinc/57/44/10/823574410.db2.gz CWWNDPGXWWQFMB-ZFWWWQNUSA-N 1 0 383.460 4.100 20 0 GIADRO COCCOc1ccc(C[NH2+][C@H](C)c2ccc(Br)cc2OC)cc1 ZINC000190444984 823575109 /nfs/dbraw/zinc/57/51/09/823575109.db2.gz MBSILCPQAPVDDM-CQSZACIVSA-N 1 0 394.309 4.334 20 0 GIADRO C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)C1 ZINC000461093210 823575284 /nfs/dbraw/zinc/57/52/84/823575284.db2.gz VVEAZMBWHMFVOO-BWAGFHJFSA-N 1 0 398.572 4.289 20 0 GIADRO COc1cc(Br)ccc1[C@@H](C)[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000190445618 823575338 /nfs/dbraw/zinc/57/53/38/823575338.db2.gz YYJWCQWAGOMQFA-CQSZACIVSA-N 1 0 386.293 4.494 20 0 GIADRO COc1cc(NC(=O)CC[NH2+][C@H](C)c2cc(C)sc2C)cc(OC)c1OC ZINC000411449270 823575549 /nfs/dbraw/zinc/57/55/49/823575549.db2.gz RTDWTYUIDKCNDB-CYBMUJFWSA-N 1 0 392.521 4.070 20 0 GIADRO CC[C@H]([NH2+][C@@H]1C[C@@H]1c1ccccc1)c1ccccc1OCC(=O)N1CCCC1 ZINC000411448401 823575625 /nfs/dbraw/zinc/57/56/25/823575625.db2.gz KWSZZTGZWDMSKI-BHIFYINESA-N 1 0 378.516 4.285 20 0 GIADRO C[C@@H]([NH2+][C@H](CCO)C1CCOCC1)c1ccc2ccccc2c1OC(F)F ZINC000461095169 823575876 /nfs/dbraw/zinc/57/58/76/823575876.db2.gz BRDBWUBKGLDVFB-AUUYWEPGSA-N 1 0 379.447 4.269 20 0 GIADRO COC[C@H]([NH2+]CCC(=O)N[C@H](c1cccs1)c1ccccc1)c1ccccc1 ZINC000411458360 823577033 /nfs/dbraw/zinc/57/70/33/823577033.db2.gz QDXDSSHUKHGHJD-REWPJTCUSA-N 1 0 394.540 4.321 20 0 GIADRO COC[C@@H]([NH2+]CCC(=O)N[C@@H](c1cccs1)c1ccccc1)c1ccccc1 ZINC000411458355 823577062 /nfs/dbraw/zinc/57/70/62/823577062.db2.gz QDXDSSHUKHGHJD-NFBKMPQASA-N 1 0 394.540 4.321 20 0 GIADRO CO[C@]1(C[NH2+][C@@H]2CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@]23C)CCOC1 ZINC000461101239 823577510 /nfs/dbraw/zinc/57/75/10/823577510.db2.gz SEIHBTHALYEADM-SJUWYAIISA-N 1 0 385.548 4.012 20 0 GIADRO CO[C@@]1(C[NH2+][C@@H](CCSc2ccccc2)c2ccc(F)cc2)CCOC1 ZINC000461102643 823577911 /nfs/dbraw/zinc/57/79/11/823577911.db2.gz KIJQLVBXHJSSPH-LEWJYISDSA-N 1 0 375.509 4.444 20 0 GIADRO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(OC)c(O[C@@H](C)CC)c2)C1 ZINC000124214780 823577994 /nfs/dbraw/zinc/57/79/94/823577994.db2.gz VNDFDBPEGACACN-HKUYNNGSSA-N 1 0 376.541 4.001 20 0 GIADRO CCOc1ccccc1NC(=O)CC[NH2+][C@@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000411465768 823578113 /nfs/dbraw/zinc/57/81/13/823578113.db2.gz XMHWNHUMXRSTMR-HSZRJFAPSA-N 1 0 398.503 4.172 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CCC(=O)Nc2ccccc2Br)cc1F ZINC000411466447 823578122 /nfs/dbraw/zinc/57/81/22/823578122.db2.gz ZQICOSYSPCPYAJ-LBPRGKRZSA-N 1 0 395.272 4.276 20 0 GIADRO COc1ccc(-c2n[nH]cc2C[NH2+]CCc2ccc(OC(F)(F)F)cc2)cc1 ZINC000061109283 823578490 /nfs/dbraw/zinc/57/84/90/823578490.db2.gz VDYAVVLUAFEJKY-UHFFFAOYSA-N 1 0 391.393 4.316 20 0 GIADRO CCC(=O)c1ccc(OC(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)cc1 ZINC000061110565 823578643 /nfs/dbraw/zinc/57/86/43/823578643.db2.gz TUMHNVHQJFNNRI-UHFFFAOYSA-N 1 0 380.488 4.029 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)NCCc1ccc(Cl)s1 ZINC000061111676 823578724 /nfs/dbraw/zinc/57/87/24/823578724.db2.gz PXHQIWZPFRWRMW-UHFFFAOYSA-N 1 0 395.956 4.486 20 0 GIADRO O=C(Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)Nc1cc(Cl)cc(Cl)c1 ZINC000461111866 823579725 /nfs/dbraw/zinc/57/97/25/823579725.db2.gz LBASRSZDNORIAM-KRWDZBQOSA-N 1 0 380.275 4.204 20 0 GIADRO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(-n3ccnc3C)cc2)c1C ZINC000411481433 823579953 /nfs/dbraw/zinc/57/99/53/823579953.db2.gz XMEGJOOJSNPYGH-GDBMZVCRSA-N 1 0 392.503 4.250 20 0 GIADRO O[C@H](C[NH2+]Cc1cnn(Cc2ccccc2)c1)c1c(Cl)cccc1Cl ZINC000124236358 823580008 /nfs/dbraw/zinc/58/00/08/823580008.db2.gz KOVRRCFTSGOZBQ-GOSISDBHSA-N 1 0 376.287 4.061 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)CC[N@@H+]1C ZINC000124239292 823580127 /nfs/dbraw/zinc/58/01/27/823580127.db2.gz RKYVLGFVEIJRDG-WIYYLYMNSA-N 1 0 388.515 4.094 20 0 GIADRO CSc1ccccc1NC(=O)CC[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000411484289 823580278 /nfs/dbraw/zinc/58/02/78/823580278.db2.gz DPLFATGGMDEMMC-QFIPXVFZSA-N 1 0 398.528 4.249 20 0 GIADRO COC1CC[NH+](C(C)(C)CNC(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)CC1 ZINC000461115220 823580254 /nfs/dbraw/zinc/58/02/54/823580254.db2.gz SFVXNBVWMGUALP-MSOLQXFVSA-N 1 0 399.362 4.103 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)NC1CCC(c2ccccc2)CC1 ZINC000061142030 823580486 /nfs/dbraw/zinc/58/04/86/823580486.db2.gz YQHMCBDHDBQXTR-XVAXZDLZSA-N 1 0 381.520 4.442 20 0 GIADRO CC(C)(C)[C@H](COc1ccccc1F)[NH2+]CCc1nc2ccccc2c(=O)[nH]1 ZINC000411488087 823580712 /nfs/dbraw/zinc/58/07/12/823580712.db2.gz KGHHXMSMTQNIIH-IBGZPJMESA-N 1 0 383.467 4.100 20 0 GIADRO O=C([C@@H]1C[C@H]1c1ccc(Cl)cc1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000411490408 823581030 /nfs/dbraw/zinc/58/10/30/823581030.db2.gz SWSRJFLEKOSEOD-XZOQPEGZSA-N 1 0 394.946 4.493 20 0 GIADRO COc1cccc([C@H]2CCC[N@@H+]2Cc2ccc(OCc3noc(C)n3)cc2)c1 ZINC000124251901 823581180 /nfs/dbraw/zinc/58/11/80/823581180.db2.gz VTNPHIJDXQVHAW-OAQYLSRUSA-N 1 0 379.460 4.303 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccccc3N3CCOCC3)cc2)C1 ZINC000061162639 823581642 /nfs/dbraw/zinc/58/16/42/823581642.db2.gz SZYRYTWDTIOSHK-LJQANCHMSA-N 1 0 393.531 4.007 20 0 GIADRO CCN(CC)C(=O)CCC1CC[NH+](Cc2ccc(-c3ncco3)cc2F)CC1 ZINC000411502270 823581836 /nfs/dbraw/zinc/58/18/36/823581836.db2.gz JACAIRNQGQYQPL-UHFFFAOYSA-N 1 0 387.499 4.341 20 0 GIADRO CCc1ccc([C@H](COC)[NH2+]CCC(=O)Nc2c(Cl)cccc2Cl)o1 ZINC000411509455 823582635 /nfs/dbraw/zinc/58/26/35/823582635.db2.gz CZGPYIAFEHLHIE-HNNXBMFYSA-N 1 0 385.291 4.455 20 0 GIADRO CCOc1ccc(NC(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)cc1F ZINC000061187921 823582768 /nfs/dbraw/zinc/58/27/68/823582768.db2.gz AZAAYDDSXVRFSP-UHFFFAOYSA-N 1 0 385.483 4.007 20 0 GIADRO COc1cc(C)nc(CN[C@H](c2ccc(F)c(F)c2)C(C)(C)[NH+]2CCCC2)c1 ZINC000411513122 823582981 /nfs/dbraw/zinc/58/29/81/823582981.db2.gz UCAWARDGZLRTEJ-OAQYLSRUSA-N 1 0 389.490 4.382 20 0 GIADRO CCC[C@H]([NH2+]CCc1nc(-c2cccc(Cl)c2)no1)c1nnc2ccccn21 ZINC000411514823 823583233 /nfs/dbraw/zinc/58/32/33/823583233.db2.gz SUYCRYPSUWINQJ-INIZCTEOSA-N 1 0 396.882 4.106 20 0 GIADRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2ccc(Cl)cc2Br)C1 ZINC000124278522 823583344 /nfs/dbraw/zinc/58/33/44/823583344.db2.gz OPMCZFBCVWDYCJ-ZDUSSCGKSA-N 1 0 387.749 4.344 20 0 GIADRO Cc1csc(C2([NH2+]CCC(=O)Nc3ccc(Br)cc3)CCC2)n1 ZINC000411516220 823583484 /nfs/dbraw/zinc/58/34/84/823583484.db2.gz BUZJOBACLRABBU-UHFFFAOYSA-N 1 0 394.338 4.212 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]CC(=O)N(C)Cc1ccco1 ZINC000411519035 823583630 /nfs/dbraw/zinc/58/36/30/823583630.db2.gz KTSGVELRXIZJMM-ZDUSSCGKSA-N 1 0 387.480 4.160 20 0 GIADRO Cc1csc([C@@H](C)[NH2+]CCC(=O)Nc2ccc(Br)cc2F)n1 ZINC000411518343 823583780 /nfs/dbraw/zinc/58/37/80/823583780.db2.gz IGZBYFKWEOMYNJ-SNVBAGLBSA-N 1 0 386.290 4.033 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]CCOc1cccc(Cl)c1 ZINC000411519322 823583855 /nfs/dbraw/zinc/58/38/55/823583855.db2.gz RVALUUSLRSJKFL-NSHDSACASA-N 1 0 375.822 4.445 20 0 GIADRO CC[C@@H]([NH2+]CCC(=O)Nc1cc(OC)c(Cl)cc1OC)c1c(C)noc1C ZINC000411519245 823583870 /nfs/dbraw/zinc/58/38/70/823583870.db2.gz ROOZENPYPDVIBS-CQSZACIVSA-N 1 0 395.887 4.032 20 0 GIADRO CN(C)C(=O)Sc1ccc(C[NH+]2CCC(Oc3ccc(F)nc3)CC2)cc1 ZINC000190534138 823584094 /nfs/dbraw/zinc/58/40/94/823584094.db2.gz ZQMAWMKJFUGFKB-UHFFFAOYSA-N 1 0 389.496 4.038 20 0 GIADRO Cc1cnc([C@H]([NH2+]CCC(=O)Nc2cccc(Br)c2)C2CC2)s1 ZINC000411520816 823584084 /nfs/dbraw/zinc/58/40/84/823584084.db2.gz XCHVSZBSPHSIQW-MRXNPFEDSA-N 1 0 394.338 4.284 20 0 GIADRO O=C(CC[NH+]1CCC(Oc2ccc(F)nc2)CC1)Nc1cccc2ccccc21 ZINC000190536212 823584231 /nfs/dbraw/zinc/58/42/31/823584231.db2.gz PXLRITSSJJKIJU-UHFFFAOYSA-N 1 0 393.462 4.246 20 0 GIADRO Cc1ccc(Br)c(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000124292479 823584592 /nfs/dbraw/zinc/58/45/92/823584592.db2.gz BLOOUEQMDCFUTO-UHFFFAOYSA-N 1 0 387.321 4.283 20 0 GIADRO CS[C@@H]1CN([C@H](C)c2nc3ccccc3n2C(F)F)C[C@H]1[NH+]1CCCC1 ZINC000411525961 823584663 /nfs/dbraw/zinc/58/46/63/823584663.db2.gz NKKNHRCJNXYSLD-KBRIMQKVSA-N 1 0 380.508 4.004 20 0 GIADRO COc1cc(NC(=O)CC[NH2+][C@@H](C)c2cc3ccccc3o2)cc(OC)c1OC ZINC000411526417 823584690 /nfs/dbraw/zinc/58/46/90/823584690.db2.gz DQVRFLJXMUEWEJ-AWEZNQCLSA-N 1 0 398.459 4.138 20 0 GIADRO Cc1cc2occ(CC(=O)N3CCN(c4cc[nH+]cc4)CC3)c2cc1C(C)C ZINC000061210350 823584750 /nfs/dbraw/zinc/58/47/50/823584750.db2.gz WYETUIMMPLOHID-UHFFFAOYSA-N 1 0 377.488 4.151 20 0 GIADRO COc1ccccc1-c1nc(C(=O)N(CC(C)C)C2CC[NH+](C)CC2)cs1 ZINC000124296739 823584969 /nfs/dbraw/zinc/58/49/69/823584969.db2.gz MYSSGWLOUSVTLT-UHFFFAOYSA-N 1 0 387.549 4.011 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)Cc2csc(-c3cccnc3)n2)cc1 ZINC000190546595 823584965 /nfs/dbraw/zinc/58/49/65/823584965.db2.gz KJJWYJXCBHZXKJ-UHFFFAOYSA-N 1 0 380.517 4.228 20 0 GIADRO CC(C)Oc1cccc([C@H](C)NC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)c1 ZINC000061220379 823585059 /nfs/dbraw/zinc/58/50/59/823585059.db2.gz MGQDXHYTTGRCJN-KKSFZXQISA-N 1 0 387.499 4.276 20 0 GIADRO CC[C@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(Br)cc1 ZINC000124297601 823585083 /nfs/dbraw/zinc/58/50/83/823585083.db2.gz QMOSVLQDSWXANI-WFASDCNBSA-N 1 0 379.264 4.374 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)C2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000190547543 823585248 /nfs/dbraw/zinc/58/52/48/823585248.db2.gz AVLOXGWBTFGQJD-UHFFFAOYSA-N 1 0 393.531 4.019 20 0 GIADRO COc1cc(NC(=O)CC[NH2+]C(C)(C)c2cccs2)c(OC)cc1Cl ZINC000411531237 823585360 /nfs/dbraw/zinc/58/53/60/823585360.db2.gz KQGNCNJFEVGJMV-UHFFFAOYSA-N 1 0 382.913 4.272 20 0 GIADRO C[C@@H](NCc1cccc(C[NH+]2CCCCC2)c1)c1nc(Cc2ccccc2)no1 ZINC000411534187 823585854 /nfs/dbraw/zinc/58/58/54/823585854.db2.gz NQNCREZNBKGQEU-LJQANCHMSA-N 1 0 390.531 4.497 20 0 GIADRO O=C(CCN1c2ccccc2Sc2ccccc21)NCCC[NH+]1CCCC1 ZINC000061238708 823586406 /nfs/dbraw/zinc/58/64/06/823586406.db2.gz SIOGMTUPVLDOFG-UHFFFAOYSA-N 1 0 381.545 4.282 20 0 GIADRO O=C(NC[C@@H]1CCC[N@H+](Cc2ccc3ncccc3c2)C1)Nc1cccc(F)c1 ZINC000124314050 823586472 /nfs/dbraw/zinc/58/64/72/823586472.db2.gz PSHOZCUMFBXRCJ-SFHVURJKSA-N 1 0 392.478 4.408 20 0 GIADRO CCN(CC)C(=O)C1CCN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)CC1 ZINC000124319847 823586934 /nfs/dbraw/zinc/58/69/34/823586934.db2.gz BPKPQIQZXPBIRF-UHFFFAOYSA-N 1 0 379.426 4.338 20 0 GIADRO C[NH+](C)CCC1CCN(C(=O)c2nc(-c3ccccc3)n3c2CCCCC3)CC1 ZINC000124319424 823586957 /nfs/dbraw/zinc/58/69/57/823586957.db2.gz YKKGLFKGQKOWPA-UHFFFAOYSA-N 1 0 394.563 4.080 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)c2cccc(Oc3cnccn3)c2)cc1 ZINC000190567354 823587197 /nfs/dbraw/zinc/58/71/97/823587197.db2.gz NWBNELNTKASDHI-UHFFFAOYSA-N 1 0 376.460 4.363 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)Cc2csc(-c3ccccn3)n2)cc1 ZINC000190574026 823587443 /nfs/dbraw/zinc/58/74/43/823587443.db2.gz XETCRPYNYCCZOP-UHFFFAOYSA-N 1 0 380.517 4.228 20 0 GIADRO Cc1cc(C)n(-c2ccc(C[NH+]3CCC(Oc4ccc(F)nc4)CC3)cc2)n1 ZINC000190574992 823587625 /nfs/dbraw/zinc/58/76/25/823587625.db2.gz GRJYLBACMDLCTO-UHFFFAOYSA-N 1 0 380.467 4.067 20 0 GIADRO CC[C@@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)c1cccc(Br)c1 ZINC000124335672 823588102 /nfs/dbraw/zinc/58/81/02/823588102.db2.gz GFUNWBHTYZWHKU-IUODEOHRSA-N 1 0 379.264 4.374 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)c2cc(N3CCCC3=O)ccc2F)cc1 ZINC000190583770 823588466 /nfs/dbraw/zinc/58/84/66/823588466.db2.gz MWJSQDMTLMAKSC-UHFFFAOYSA-N 1 0 383.467 4.047 20 0 GIADRO CCOC(=O)C[C@@](C)([NH2+]CCC(=O)Nc1c(Cl)cccc1Cl)C(C)C ZINC000411565700 823588537 /nfs/dbraw/zinc/58/85/37/823588537.db2.gz XZXKMSXHKUFGOX-GOSISDBHSA-N 1 0 389.323 4.280 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@H](C)[C@H](O)c2ccc(F)cc2)cc1Br ZINC000124340109 823588649 /nfs/dbraw/zinc/58/86/49/823588649.db2.gz GDHRQCWICFUEPR-IUUKEHGRSA-N 1 0 382.273 4.370 20 0 GIADRO CCCN(C)c1ccc(C(=O)Nc2ccccc2C[NH+]2CCSCC2)cc1 ZINC000061284680 823589160 /nfs/dbraw/zinc/58/91/60/823589160.db2.gz YNHKDJNKKDDAHO-UHFFFAOYSA-N 1 0 383.561 4.334 20 0 GIADRO COC(=O)c1ccc(NC(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000061286100 823589613 /nfs/dbraw/zinc/58/96/13/823589613.db2.gz GYFFOKXKXHACPT-QGZVFWFLSA-N 1 0 395.503 4.027 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(OC)c(OC(F)F)c2)cc1 ZINC000190596205 823589639 /nfs/dbraw/zinc/58/96/39/823589639.db2.gz TZROVROXECCKCO-UHFFFAOYSA-N 1 0 378.419 4.391 20 0 GIADRO CC(C)Oc1cccc(CC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)c1 ZINC000061287121 823589740 /nfs/dbraw/zinc/58/97/40/823589740.db2.gz VIIHQOOTGVKSES-UHFFFAOYSA-N 1 0 398.572 4.246 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCSCC2)c1)c1cc(F)c(F)c(F)c1F ZINC000061286875 823589861 /nfs/dbraw/zinc/58/98/61/823589861.db2.gz WVGBBPQIYAGIIG-UHFFFAOYSA-N 1 0 384.398 4.044 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)c1ccc(OCC2CC2)cc1 ZINC000061287231 823589871 /nfs/dbraw/zinc/58/98/71/823589871.db2.gz ONEGLOLOONBNSF-UHFFFAOYSA-N 1 0 396.556 4.319 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000061288417 823590043 /nfs/dbraw/zinc/59/00/43/823590043.db2.gz IVJCVAQTMCXLMY-SFTDATJTSA-N 1 0 384.520 4.159 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)c1ccc2ccccc2n1 ZINC000061289735 823590186 /nfs/dbraw/zinc/59/01/86/823590186.db2.gz FMJTVJBORJRRAT-UHFFFAOYSA-N 1 0 377.513 4.078 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)c2cc(C3CC3)nc3onc(CC(C)(C)C)c32)CC[N@@H+]1C ZINC000124364136 823590505 /nfs/dbraw/zinc/59/05/05/823590505.db2.gz NAGMMGCBYXVQQV-ZBFHGGJFSA-N 1 0 398.551 4.244 20 0 GIADRO COc1cccc(NC(=O)CC[NH2+][C@H](C)c2ccc(Br)s2)c1 ZINC000411617432 823591004 /nfs/dbraw/zinc/59/10/04/823591004.db2.gz NPQHRFBQSFXWEC-LLVKDONJSA-N 1 0 383.311 4.199 20 0 GIADRO CCC1(CC)[C@H]([NH2+]CCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)C[C@H]1OC ZINC000411630924 823592392 /nfs/dbraw/zinc/59/23/92/823592392.db2.gz KYAUNVCCRBDBBL-WOJBJXKFSA-N 1 0 398.551 4.001 20 0 GIADRO O=C(CC[N@@H+](Cc1ccc(F)cc1)C1CCOCC1)Nc1ccccc1Cl ZINC000411631004 823592570 /nfs/dbraw/zinc/59/25/70/823592570.db2.gz LFISYSZMHMDACE-UHFFFAOYSA-N 1 0 390.886 4.489 20 0 GIADRO COc1ccc([C@H](NC(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c2ccccc2)cc1 ZINC000061349234 823592925 /nfs/dbraw/zinc/59/29/25/823592925.db2.gz UHTWJUTXDBTZBI-SELNLUPBSA-N 1 0 395.547 4.204 20 0 GIADRO O=C(CC[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)Nc1ccc(Cl)cc1F ZINC000411650758 823594204 /nfs/dbraw/zinc/59/42/04/823594204.db2.gz RNBWVRCASJXGAY-MJGOQNOKSA-N 1 0 398.812 4.206 20 0 GIADRO Cc1ccc(CSCCNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000061399274 823595303 /nfs/dbraw/zinc/59/53/03/823595303.db2.gz MYVXLGOFKNDHHI-UHFFFAOYSA-N 1 0 397.588 4.323 20 0 GIADRO CCOc1ccccc1NC(=O)CC[NH2+][C@@H](COC)c1ccc(Cl)cc1 ZINC000411659829 823595339 /nfs/dbraw/zinc/59/53/39/823595339.db2.gz ZGPHSCGHGFUSLX-SFHVURJKSA-N 1 0 376.884 4.045 20 0 GIADRO COC(=O)CC1([NH2+]Cc2nc(=O)c3cc(-c4ccccc4)sc3[nH]2)CCCC1 ZINC000411660626 823595440 /nfs/dbraw/zinc/59/54/40/823595440.db2.gz SUUGMIWPXBROMA-UHFFFAOYSA-N 1 0 397.500 4.029 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)NCc2ncc(-c3ccccc3)cn2)cc1)C1CC1 ZINC000461188711 823595458 /nfs/dbraw/zinc/59/54/58/823595458.db2.gz LFQBRTOSLHIEAY-UHFFFAOYSA-N 1 0 386.499 4.058 20 0 GIADRO CCOc1ccccc1NC(=O)CC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000411662988 823595664 /nfs/dbraw/zinc/59/56/64/823595664.db2.gz OUJFSDFKYPFZRT-JYRKZWEQSA-N 1 0 388.552 4.066 20 0 GIADRO OC[C@@H](NCc1ccc(C[NH+]2CCCCC2)cc1)c1cccc(Cl)c1F ZINC000411665236 823595724 /nfs/dbraw/zinc/59/57/24/823595724.db2.gz FUDKRTMZRNXAAM-HXUWFJFHSA-N 1 0 376.903 4.288 20 0 GIADRO C[C@H](NC(=O)N[C@H]1CCc2sc(Cl)cc21)[C@@H](c1ccccc1)[NH+](C)C ZINC000461194391 823596432 /nfs/dbraw/zinc/59/64/32/823596432.db2.gz JEWLWHWVJRHHTK-QITLCBANSA-N 1 0 377.941 4.379 20 0 GIADRO C[C@H]1OCC[C@@]1(O)C[N@H+](Cc1ccccc1)Cc1ccc(-c2ncco2)cc1F ZINC000411677446 823596538 /nfs/dbraw/zinc/59/65/38/823596538.db2.gz RAXILCIQVHUPFP-UZUQRXQVSA-N 1 0 396.462 4.023 20 0 GIADRO Cc1cc(C)n(Cc2ccc(C(=O)N3CCC[C@H]([N@H+]4[C@H](C)CC[C@@H]4C)C3)cc2)n1 ZINC000061433720 823597167 /nfs/dbraw/zinc/59/71/67/823597167.db2.gz GAARXTAJZSLPDG-YYDVJCTNSA-N 1 0 394.563 4.026 20 0 GIADRO CC1(C)CN(Cc2ccccc2)CC[C@H]1[NH2+]CCC(=O)Nc1ccccc1F ZINC000411700028 823597849 /nfs/dbraw/zinc/59/78/49/823597849.db2.gz ZCCLJWAIPLVJRM-OAQYLSRUSA-N 1 0 383.511 4.045 20 0 GIADRO O=C(CC[NH2+][C@H]1CCCC12CCOCC2)N[C@H](c1cccs1)c1ccccc1 ZINC000411699148 823597900 /nfs/dbraw/zinc/59/79/00/823597900.db2.gz YDAQYQCNSZPJOK-UNMCSNQZSA-N 1 0 398.572 4.283 20 0 GIADRO CC1(C)CN(Cc2ccccc2)CC[C@H]1[NH2+]CCc1nc(-c2ccccc2)no1 ZINC000411697580 823597907 /nfs/dbraw/zinc/59/79/07/823597907.db2.gz WDXOTHKIMZSGGA-OAQYLSRUSA-N 1 0 390.531 4.169 20 0 GIADRO Cc1nc(CC(C)C)oc1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000190684029 823598175 /nfs/dbraw/zinc/59/81/75/823598175.db2.gz ZGDBQIASRPZVNG-SFTDATJTSA-N 1 0 395.547 4.308 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1ccccc1-n1cccn1 ZINC000061450195 823598258 /nfs/dbraw/zinc/59/82/58/823598258.db2.gz AUSDHNBTWMWWCM-UHFFFAOYSA-N 1 0 377.492 4.036 20 0 GIADRO CCCCCNC(=O)C[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000411707582 823598352 /nfs/dbraw/zinc/59/83/52/823598352.db2.gz ZMXKJZDUBZKMJW-IBGZPJMESA-N 1 0 386.458 4.069 20 0 GIADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)C1 ZINC000124458330 823598432 /nfs/dbraw/zinc/59/84/32/823598432.db2.gz CFKYNLKDIJQVCO-IBGZPJMESA-N 1 0 393.531 4.037 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)c2ccc(-c3noc(CC(C)(C)C)n3)cc2)CC1 ZINC000461209607 823599112 /nfs/dbraw/zinc/59/91/12/823599112.db2.gz DOTRZUNXKJPSQU-UHFFFAOYSA-N 1 0 398.551 4.177 20 0 GIADRO C[C@H](CNC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000061471399 823599371 /nfs/dbraw/zinc/59/93/71/823599371.db2.gz LMJKPXHPDJBJBU-JXXFODFXSA-N 1 0 389.540 4.396 20 0 GIADRO CCO[C@@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccccc2C(F)(F)F)C12CCCC2 ZINC000411716972 823599418 /nfs/dbraw/zinc/59/94/18/823599418.db2.gz GPTPGDWVXVANNM-IAGOWNOFSA-N 1 0 384.442 4.361 20 0 GIADRO CC[C@@H](NC(=O)N1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1)c1cccs1 ZINC000190699436 823599666 /nfs/dbraw/zinc/59/96/66/823599666.db2.gz FBKXARVFANKFGH-JKSUJKDBSA-N 1 0 392.594 4.128 20 0 GIADRO CC[NH+]1C[C@@H](C)N(CCC(=O)Nc2ccccc2Oc2ccccc2)[C@H](C)C1 ZINC000411722048 823599912 /nfs/dbraw/zinc/59/99/12/823599912.db2.gz PYHVDHHXOUJYSJ-RTBURBONSA-N 1 0 381.520 4.222 20 0 GIADRO COc1ccc(SCCC(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1 ZINC000061503033 823600073 /nfs/dbraw/zinc/60/00/73/823600073.db2.gz QJYBMQFZHHDMBM-JOCHJYFZSA-N 1 0 398.572 4.439 20 0 GIADRO O=C(CC[N@@H+]1CCCC[C@H]1c1cc[nH]n1)NC(c1ccccc1)c1ccccc1 ZINC000411725154 823600442 /nfs/dbraw/zinc/60/04/42/823600442.db2.gz VWKFBMNDXAXLJC-QFIPXVFZSA-N 1 0 388.515 4.233 20 0 GIADRO O=C(c1ccc(C[NH2+]Cc2ccc(OCC3CC3)cc2)cc1)N1CCCCC1 ZINC000190707656 823600478 /nfs/dbraw/zinc/60/04/78/823600478.db2.gz BGUFQFCEXKUOHF-UHFFFAOYSA-N 1 0 378.516 4.391 20 0 GIADRO C[NH+](C)Cc1cccc(C(=O)Nc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c1 ZINC000461218693 823600544 /nfs/dbraw/zinc/60/05/44/823600544.db2.gz PKXYYIGVAUNTEW-UHFFFAOYSA-N 1 0 388.393 4.205 20 0 GIADRO COc1cccc(NC(=O)CC[N@@H+]2CCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)c1 ZINC000411730739 823600592 /nfs/dbraw/zinc/60/05/92/823600592.db2.gz IYUBZEAIOUBXRH-IBGZPJMESA-N 1 0 398.894 4.391 20 0 GIADRO CCCOc1c(Cl)cc(C(=O)NC2CC[NH+](CCC)CC2)cc1OCC ZINC000061509968 823600729 /nfs/dbraw/zinc/60/07/29/823600729.db2.gz BTFZLNQVVRZFSJ-UHFFFAOYSA-N 1 0 382.932 4.132 20 0 GIADRO O=C(CC[NH2+][C@H](CCO)c1ccc(Cl)cc1)Nc1ccc(Cl)cc1F ZINC000411740208 823601150 /nfs/dbraw/zinc/60/11/50/823601150.db2.gz OLGZBGZGJKAMKT-MRXNPFEDSA-N 1 0 385.266 4.174 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCCCOC1CCCCC1 ZINC000061523385 823601215 /nfs/dbraw/zinc/60/12/15/823601215.db2.gz JQQODWGRTLVSSZ-UHFFFAOYSA-N 1 0 375.557 4.065 20 0 GIADRO C[C@@H](OCCCNC(=O)NCc1ccccc1C[NH+]1CCCC1)c1ccccc1 ZINC000061525572 823601353 /nfs/dbraw/zinc/60/13/53/823601353.db2.gz JXZAEZAHOGDABK-HXUWFJFHSA-N 1 0 395.547 4.250 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)c2cc3cc(Br)ccc3o2)CC1 ZINC000461230099 823601755 /nfs/dbraw/zinc/60/17/55/823601755.db2.gz QEAUWPXEWGYAFJ-UHFFFAOYSA-N 1 0 379.298 4.047 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)C2(Cc3ccccc3F)CC2)CC1 ZINC000190719194 823601768 /nfs/dbraw/zinc/60/17/68/823601768.db2.gz NCVHAKZDBRFQGU-UHFFFAOYSA-N 1 0 380.507 4.238 20 0 GIADRO O=C(C[C@H](c1ccc(O)cc1)C1CC1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000411746764 823602124 /nfs/dbraw/zinc/60/21/24/823602124.db2.gz UKXNYRFEPSCIER-QFIPXVFZSA-N 1 0 396.556 4.463 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@H](C)[C@H]1OCCc2sccc21 ZINC000411753128 823602392 /nfs/dbraw/zinc/60/23/92/823602392.db2.gz BYJYYVIFKUQBMZ-CWTRNNRKSA-N 1 0 394.924 4.031 20 0 GIADRO Cc1csc(CC[NH2+]Cc2ccc(Br)c(Br)c2)n1 ZINC000124517032 823602904 /nfs/dbraw/zinc/60/29/04/823602904.db2.gz VYUKUAONLIRQKP-UHFFFAOYSA-N 1 0 390.144 4.309 20 0 GIADRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@H]1C[C@@]1(F)c1ccccc1 ZINC000411758274 823602947 /nfs/dbraw/zinc/60/29/47/823602947.db2.gz NARXCLQIGHXXLA-DENIHFKCSA-N 1 0 384.520 4.367 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[NH2+]C(C)(C)c1ccccc1F ZINC000411760848 823603123 /nfs/dbraw/zinc/60/31/23/823603123.db2.gz UBIBEZCXUHOLRN-UHFFFAOYSA-N 1 0 394.494 4.482 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)c2occc2CN2c3ccccc3C[C@H]2C)CC1 ZINC000461243070 823603276 /nfs/dbraw/zinc/60/32/76/823603276.db2.gz OXRKMYFLOMFWER-GOSISDBHSA-N 1 0 395.547 4.083 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)CSc2cc(Cl)ccc2Cl)CC1 ZINC000461246250 823603713 /nfs/dbraw/zinc/60/37/13/823603713.db2.gz UWISSBGUFBACJA-UHFFFAOYSA-N 1 0 375.365 4.324 20 0 GIADRO O=C(CC[NH+]1CCC(F)(c2ccccn2)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000411772243 823603918 /nfs/dbraw/zinc/60/39/18/823603918.db2.gz VBUQDWFKCSUVGX-UHFFFAOYSA-N 1 0 395.400 4.390 20 0 GIADRO FC(F)(F)c1ccc2c(c1)[nH+]ccc2N1CCCN(Cc2cscn2)CC1 ZINC000124531021 823604261 /nfs/dbraw/zinc/60/42/61/823604261.db2.gz PEBHFFYEDIQNRI-UHFFFAOYSA-N 1 0 392.450 4.422 20 0 GIADRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)c1ccc(-c2cnco2)cc1 ZINC000061567576 823604293 /nfs/dbraw/zinc/60/42/93/823604293.db2.gz ZDTLSWRBGXQVDN-UHFFFAOYSA-N 1 0 381.501 4.045 20 0 GIADRO CCOc1ccccc1CCC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000061568811 823604468 /nfs/dbraw/zinc/60/44/68/823604468.db2.gz FVQAQMRMJKABMN-UHFFFAOYSA-N 1 0 386.561 4.108 20 0 GIADRO Cc1ccc(C)c(OCCC(=O)NCC2CC[NH+](Cc3cccs3)CC2)c1 ZINC000061569152 823604476 /nfs/dbraw/zinc/60/44/76/823604476.db2.gz ZHCRYDWBTUOKFL-UHFFFAOYSA-N 1 0 386.561 4.162 20 0 GIADRO Cc1ccccc1-n1c(SCC[NH+](C)C)nnc1-c1c[nH]c2ccccc12 ZINC000061574165 823604849 /nfs/dbraw/zinc/60/48/49/823604849.db2.gz MVSNJWNYPLQCQR-UHFFFAOYSA-N 1 0 377.517 4.378 20 0 GIADRO c1csc(-c2nn(Cc3ccccc3)cc2C[NH2+][C@@H]2CCc3n[nH]cc3C2)c1 ZINC000124540968 823604973 /nfs/dbraw/zinc/60/49/73/823604973.db2.gz VXAMANZCRMNDCQ-LJQANCHMSA-N 1 0 389.528 4.030 20 0 GIADRO Clc1cccc(-c2noc(CC[NH2+]C3(Cc4ccccc4)CCOCC3)n2)c1 ZINC000411796180 823605495 /nfs/dbraw/zinc/60/54/95/823605495.db2.gz FVTLCZBVNDANCH-UHFFFAOYSA-N 1 0 397.906 4.314 20 0 GIADRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1cn(C)c2ccccc12 ZINC000061596741 823605862 /nfs/dbraw/zinc/60/58/62/823605862.db2.gz DZZGHVAKNWEMGR-UHFFFAOYSA-N 1 0 379.529 4.288 20 0 GIADRO O=C(CC[NH2+]C1(Cc2ccccc2)CCOCC1)Nc1ccc(Cl)cc1F ZINC000411802865 823606243 /nfs/dbraw/zinc/60/62/43/823606243.db2.gz PCBBRVATRJYPGX-UHFFFAOYSA-N 1 0 390.886 4.189 20 0 GIADRO CC1CCC([NH+]2CCC(N(C)C(=O)c3ccc(Cn4ccnc4)cc3)CC2)CC1 ZINC000061607258 823606286 /nfs/dbraw/zinc/60/62/86/823606286.db2.gz GYEHEGKVLIALMW-UHFFFAOYSA-N 1 0 394.563 4.047 20 0 GIADRO Cc1nc2cc(C(=O)N(C)CC[C@H]3CCCC[N@@H+]3C)ccc2n1-c1ccccc1 ZINC000461258986 823606585 /nfs/dbraw/zinc/60/65/85/823606585.db2.gz DOLHAFGAOVEOCM-HXUWFJFHSA-N 1 0 390.531 4.280 20 0 GIADRO C[C@@H]1Cc2ccccc2N1Cc1occc1C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000461259381 823606706 /nfs/dbraw/zinc/60/67/06/823606706.db2.gz BXJSEPQGHNANFN-QUCCMNQESA-N 1 0 395.547 4.177 20 0 GIADRO CC(C)O[C@H]1C[C@@H]([NH2+]Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)C1(C)C ZINC000411810441 823606972 /nfs/dbraw/zinc/60/69/72/823606972.db2.gz VYQULOAQDWICGE-CABCVRRESA-N 1 0 387.505 4.339 20 0 GIADRO Cc1nn(-c2ccccc2)c2sc(C(=O)N(C)CC[C@@H]3CCCC[N@@H+]3C)cc12 ZINC000461260427 823607061 /nfs/dbraw/zinc/60/70/61/823607061.db2.gz VJDMZHZYEYVEEJ-KRWDZBQOSA-N 1 0 396.560 4.342 20 0 GIADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000461261693 823607434 /nfs/dbraw/zinc/60/74/34/823607434.db2.gz XOEFFFQMMANXNP-XIRDDKMYSA-N 1 0 384.442 4.022 20 0 GIADRO CCSCC[N@@H+]1CCC[C@@H]1c1nc(-c2ccccc2Br)no1 ZINC000190781466 823608080 /nfs/dbraw/zinc/60/80/80/823608080.db2.gz VGNISCXDCMYIAA-CQSZACIVSA-N 1 0 382.327 4.389 20 0 GIADRO C[C@@H](CCCc1cccnc1)[NH2+]CCC(=O)Nc1cccc(Br)c1 ZINC000411820887 823608379 /nfs/dbraw/zinc/60/83/79/823608379.db2.gz NFZUTBOSUPVKFC-HNNXBMFYSA-N 1 0 390.325 4.174 20 0 GIADRO COc1cc(Br)ccc1CCC[NH+]1CCC(c2ccncn2)CC1 ZINC000411826892 823609117 /nfs/dbraw/zinc/60/91/17/823609117.db2.gz KMDMXOUBXZBOBR-UHFFFAOYSA-N 1 0 390.325 4.060 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000461271599 823609904 /nfs/dbraw/zinc/60/99/04/823609904.db2.gz MFIXKSDVZDCNQI-KRWDZBQOSA-N 1 0 375.513 4.204 20 0 GIADRO COc1ccc2oc(C[NH2+]C[C@@H](O)c3ccc(OC(F)(F)F)cc3)cc2c1 ZINC000124601883 823610349 /nfs/dbraw/zinc/61/03/49/823610349.db2.gz RCWGICJRPWZHHR-QGZVFWFLSA-N 1 0 381.350 4.163 20 0 GIADRO CCc1c(C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cnn1-c1cccc(Cl)c1 ZINC000461273350 823610382 /nfs/dbraw/zinc/61/03/82/823610382.db2.gz SFEIAFYYJAWGSP-KRWDZBQOSA-N 1 0 388.943 4.035 20 0 GIADRO CCCC[C@@H](CC)CNC(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000061739271 823610443 /nfs/dbraw/zinc/61/04/43/823610443.db2.gz WLQUOGAJPBDQQW-RTBURBONSA-N 1 0 387.568 4.190 20 0 GIADRO COc1c(Cl)cc(NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)cc1Cl ZINC000411849268 823610894 /nfs/dbraw/zinc/61/08/94/823610894.db2.gz SUMBAZZFTGWYFX-CYBMUJFWSA-N 1 0 389.348 4.158 20 0 GIADRO CC[NH+](CC)[C@H](C(=O)N1CC2(CCC2(F)F)C1)c1cccc(C(F)(F)F)c1 ZINC000461282158 823611417 /nfs/dbraw/zinc/61/14/17/823611417.db2.gz GADKJRFBLYTKOS-HNNXBMFYSA-N 1 0 390.396 4.346 20 0 GIADRO CC[C@H]([NH2+]CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1)c1ccccc1 ZINC000411885576 823612847 /nfs/dbraw/zinc/61/28/47/823612847.db2.gz CTYCVOAPNRPLQJ-HKUYNNGSSA-N 1 0 377.444 4.291 20 0 GIADRO CC1CC[NH+](C2CCC(NC(=O)N[C@H]3CCCOc4ccccc43)CC2)CC1 ZINC000124633319 823612919 /nfs/dbraw/zinc/61/29/19/823612919.db2.gz KCEJTYFQCHUKFP-GRERDSQWSA-N 1 0 385.552 4.243 20 0 GIADRO CC[C@H]([NH2+]CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000411891978 823613492 /nfs/dbraw/zinc/61/34/92/823613492.db2.gz LTAQZHHLSWEISA-LEWJYISDSA-N 1 0 394.515 4.252 20 0 GIADRO O[C@@H]1C[C@@H](c2ccccc2)[N@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000411932928 823614982 /nfs/dbraw/zinc/61/49/82/823614982.db2.gz GFTPUKAOEGCBJB-MOPGFXCFSA-N 1 0 383.289 4.305 20 0 GIADRO C[C@H](Cc1cccs1)NC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000061793428 823615094 /nfs/dbraw/zinc/61/50/94/823615094.db2.gz WLBBISJCHLDSPQ-MRXNPFEDSA-N 1 0 389.590 4.092 20 0 GIADRO CO[C@](C)([C@@H](C)[NH2+]Cc1coc(-c2ccc(Br)cc2)n1)C1CC1 ZINC000411939191 823615221 /nfs/dbraw/zinc/61/52/21/823615221.db2.gz FCMVBVGTNHMMQA-KZULUSFZSA-N 1 0 379.298 4.397 20 0 GIADRO CO[C@@](C)([C@@H](C)[NH2+]CC(=O)N[C@@H](c1cccs1)c1ccc(C)cc1)C1CC1 ZINC000411937046 823615236 /nfs/dbraw/zinc/61/52/36/823615236.db2.gz CMAGZGVTEMRFRR-HVETUWLQSA-N 1 0 386.561 4.055 20 0 GIADRO Cc1nccn1CCCCNC(=O)NC(C)(C)c1ccc(OC(F)(F)F)cc1 ZINC000190842702 823615289 /nfs/dbraw/zinc/61/52/89/823615289.db2.gz NIWIPRQGUDVBQU-UHFFFAOYSA-N 1 0 398.429 4.105 20 0 GIADRO CC(C)(C)OC(=O)Nc1ccccc1C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000124670842 823615952 /nfs/dbraw/zinc/61/59/52/823615952.db2.gz SOSCARWMZDVLHB-QGZVFWFLSA-N 1 0 387.524 4.124 20 0 GIADRO Clc1cccc(C2(C[NH2+]Cc3nccn3-c3ccccc3)CCOCC2)c1 ZINC000190854703 823616850 /nfs/dbraw/zinc/61/68/50/823616850.db2.gz YXEYKCKHOFWOKX-UHFFFAOYSA-N 1 0 381.907 4.364 20 0 GIADRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2C[C@@]2(F)c2ccccc2)CC1 ZINC000411962720 823617022 /nfs/dbraw/zinc/61/70/22/823617022.db2.gz VDJMEZBZCMZFBQ-LADGPHEKSA-N 1 0 380.507 4.242 20 0 GIADRO COc1ccc(CNC(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1F ZINC000061868728 823617026 /nfs/dbraw/zinc/61/70/26/823617026.db2.gz ILSIATSCFKWTNK-QGZVFWFLSA-N 1 0 399.510 4.066 20 0 GIADRO Cc1cccc(C(C)C)c1NC(=O)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000061879291 823617159 /nfs/dbraw/zinc/61/71/59/823617159.db2.gz DVFGATHDQGXXKI-GOSISDBHSA-N 1 0 399.560 4.072 20 0 GIADRO CO[C@@](C)([C@H](C)[NH2+]CCC(=O)N[C@@H](c1cccs1)c1ccccc1)C1CC1 ZINC000411973320 823617282 /nfs/dbraw/zinc/61/72/82/823617282.db2.gz RQTDDCKUGOCLCM-USCONSEESA-N 1 0 386.561 4.137 20 0 GIADRO C[C@H](c1ccc(C[N@@H+]2C[C@H](C(N)=O)[C@@H](c3ccccc3)C2)cc1)C(F)(F)F ZINC000411973417 823617297 /nfs/dbraw/zinc/61/72/97/823617297.db2.gz QIGLPHAJPQHGAJ-ZMYBRWDISA-N 1 0 376.422 4.053 20 0 GIADRO COc1cccc(C(=O)NCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)c1OC ZINC000061885139 823617506 /nfs/dbraw/zinc/61/75/06/823617506.db2.gz VPSMQWMJABGKFQ-ROUUACIJSA-N 1 0 396.531 4.112 20 0 GIADRO CC[C@H](C)c1nnc(N(C)[C@H]2CC[N@H+](CC)C[C@H]2C)n1Cc1cccs1 ZINC000461325382 823617901 /nfs/dbraw/zinc/61/79/01/823617901.db2.gz QKVNPVLJBLXCGQ-JZXOWHBKSA-N 1 0 375.586 4.068 20 0 GIADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2cc(Cl)ccc2Br)C1 ZINC000125128521 823653634 /nfs/dbraw/zinc/65/36/34/823653634.db2.gz VXFGYRZKFBRADF-CYBMUJFWSA-N 1 0 387.749 4.344 20 0 GIADRO Cc1cc(C)c(Br)c(C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000461335463 823619616 /nfs/dbraw/zinc/61/96/16/823619616.db2.gz WSKVBSMOOGCCHU-MRXNPFEDSA-N 1 0 381.358 4.164 20 0 GIADRO CCSc1ccc([C@@H](C)NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)cc1 ZINC000411996980 823619621 /nfs/dbraw/zinc/61/96/21/823619621.db2.gz FFYZUOWFTRBRGH-QAPCUYQASA-N 1 0 378.607 4.193 20 0 GIADRO CC(C)Oc1cccc([C@@H](C)NC(=O)NCCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000061960213 823620014 /nfs/dbraw/zinc/62/00/14/823620014.db2.gz PZQZCPJOMPCITF-LJQANCHMSA-N 1 0 395.547 4.282 20 0 GIADRO CC[C@H](C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1)c1ccc(F)cc1 ZINC000461336738 823620045 /nfs/dbraw/zinc/62/00/45/823620045.db2.gz FDHRIHAWHWSYLO-QHCPKHFHSA-N 1 0 380.507 4.369 20 0 GIADRO C[C@@H](NC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(OC(F)F)cc1 ZINC000061959947 823620033 /nfs/dbraw/zinc/62/00/33/823620033.db2.gz ZNXNCTGGKCXBCX-OWCLPIDISA-N 1 0 383.483 4.016 20 0 GIADRO O=C(Nc1ccc(Oc2ccccc2)cn1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000411999801 823620191 /nfs/dbraw/zinc/62/01/91/823620191.db2.gz CFUUCQSSDADATG-QGZVFWFLSA-N 1 0 383.517 4.030 20 0 GIADRO CC(=O)c1ccc(NC(=O)CC[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)cc1 ZINC000412001444 823620440 /nfs/dbraw/zinc/62/04/40/823620440.db2.gz PZHRPMLNJXVNMQ-QHCPKHFHSA-N 1 0 392.499 4.072 20 0 GIADRO OCC1([C@H]([NH2+]Cc2ccccc2C(F)(F)F)c2ccccc2)CCOCC1 ZINC000412004595 823621145 /nfs/dbraw/zinc/62/11/45/823621145.db2.gz DDBOKNNQJSRAES-LJQANCHMSA-N 1 0 379.422 4.325 20 0 GIADRO CCN(CC)C(=O)[C@@H](c1ccccc1)[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000412003988 823621149 /nfs/dbraw/zinc/62/11/49/823621149.db2.gz YAULTLKIIBHKQM-DHIUTWEWSA-N 1 0 392.543 4.450 20 0 GIADRO CC(C)CC(=O)N1CCC([NH2+]Cc2cc(Br)c(Cl)s2)CC1 ZINC000190896127 823621201 /nfs/dbraw/zinc/62/12/01/823621201.db2.gz PVUYTPLBBCRTNL-UHFFFAOYSA-N 1 0 393.778 4.291 20 0 GIADRO CCOc1ccc(NC(=O)CC[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)cc1 ZINC000412006047 823621537 /nfs/dbraw/zinc/62/15/37/823621537.db2.gz BFLZALZFYOUEQO-HSZRJFAPSA-N 1 0 394.515 4.268 20 0 GIADRO CCc1nc(C(C)C)ccc1C[NH2+][C@H](c1ccccc1)C1(CO)CCOCC1 ZINC000412007342 823621815 /nfs/dbraw/zinc/62/18/15/823621815.db2.gz FJICDMRFOAKYSF-HSZRJFAPSA-N 1 0 382.548 4.387 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000124739994 823622416 /nfs/dbraw/zinc/62/24/16/823622416.db2.gz CCTGTVCRNOZHIS-UHFFFAOYSA-N 1 0 383.540 4.265 20 0 GIADRO CCOC(=O)c1ccc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCCCC2)nc1 ZINC000412012535 823622613 /nfs/dbraw/zinc/62/26/13/823622613.db2.gz XYJBRBKJOIVJMZ-NRFANRHFSA-N 1 0 382.504 4.032 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccc(Cl)c(Br)c1 ZINC000062076019 823622885 /nfs/dbraw/zinc/62/28/85/823622885.db2.gz JJDYJRMWCZTQSG-OAHLLOKOSA-N 1 0 397.700 4.262 20 0 GIADRO CCN(C)c1ccc(C[NH2+]Cc2ccc(Cn3cnc4ccccc43)cc2)cn1 ZINC000190909082 823623122 /nfs/dbraw/zinc/62/31/22/823623122.db2.gz QFLBQLSMYFYFIZ-UHFFFAOYSA-N 1 0 385.515 4.226 20 0 GIADRO O=C(COc1ccc2ccccc2c1)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000062231511 823625313 /nfs/dbraw/zinc/62/53/13/823625313.db2.gz PQKKZVVETGYJLT-OAQYLSRUSA-N 1 0 388.511 4.247 20 0 GIADRO c1cn(-c2ccccc2)c(C[NH2+]C2(c3ccc4c(c3)OCCO4)CCCC2)n1 ZINC000190926189 823625373 /nfs/dbraw/zinc/62/53/73/823625373.db2.gz DCFIRGFMOZUFIS-UHFFFAOYSA-N 1 0 375.472 4.203 20 0 GIADRO CC[C@H]1CN(c2ccccc2)CC[N@@H+]1Cc1ccc(OCc2nccn2C)cc1 ZINC000461376559 823625649 /nfs/dbraw/zinc/62/56/49/823625649.db2.gz IBNZEIRPWWAHIA-NRFANRHFSA-N 1 0 390.531 4.100 20 0 GIADRO Cc1cc(C)c(NC(=O)C[N@@H+]2CCC[C@@H](CCC(=O)OC(C)(C)C)C2)c(C)c1 ZINC000412084974 823626146 /nfs/dbraw/zinc/62/61/46/823626146.db2.gz ZBACNDFTOAYADR-IBGZPJMESA-N 1 0 388.552 4.384 20 0 GIADRO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H]1C[C@]1(F)c1ccccc1 ZINC000412100197 823626597 /nfs/dbraw/zinc/62/65/97/823626597.db2.gz RSXCXKXDOPNMBU-SUBDCCPMSA-N 1 0 378.491 4.183 20 0 GIADRO Cc1ccc(C(=O)N2CCC([NH2+]Cc3ccc(OCC4CC4)cc3)CC2)cc1 ZINC000190939856 823627429 /nfs/dbraw/zinc/62/74/29/823627429.db2.gz NHGBQQGUGCGQLH-UHFFFAOYSA-N 1 0 378.516 4.178 20 0 GIADRO C[C@@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)c1cccc(Cl)c1Cl ZINC000412115599 823627479 /nfs/dbraw/zinc/62/74/79/823627479.db2.gz GSHWOKBXPADWPU-TZMCWYRMSA-N 1 0 387.376 4.388 20 0 GIADRO CCOc1ccc(C[NH2+]C2(c3ccc(F)cc3F)CCOCC2)cc1OC ZINC000124805049 823627578 /nfs/dbraw/zinc/62/75/78/823627578.db2.gz KOHWUGHYILRKLC-UHFFFAOYSA-N 1 0 377.431 4.168 20 0 GIADRO O=C(N[C@H](c1ccc(F)cc1)C1CCCC1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412121054 823627756 /nfs/dbraw/zinc/62/77/56/823627756.db2.gz LKJRVTBQTWKKAH-RTWAWAEBSA-N 1 0 390.568 4.391 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cc(Br)c(F)cc2C)C1 ZINC000190946228 823628527 /nfs/dbraw/zinc/62/85/27/823628527.db2.gz JVRALMHGMUPUFL-CYBMUJFWSA-N 1 0 386.309 4.092 20 0 GIADRO Cc1nn(-c2cccc(F)c2)cc1C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000412130386 823628743 /nfs/dbraw/zinc/62/87/43/823628743.db2.gz VJWNGOCMOOMKJC-IEBWSBKVSA-N 1 0 398.526 4.046 20 0 GIADRO O=C(NCC1(c2cccs2)CCCCC1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412132512 823628871 /nfs/dbraw/zinc/62/88/71/823628871.db2.gz WIYFTJTXMVSVIS-GOSISDBHSA-N 1 0 392.634 4.284 20 0 GIADRO CC(=O)Nc1cccc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)c1C ZINC000190947651 823628951 /nfs/dbraw/zinc/62/89/51/823628951.db2.gz VZYBOYFKTFXEHN-HSZRJFAPSA-N 1 0 393.531 4.156 20 0 GIADRO CCS(=O)(=O)CCCCC[N@@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000190952200 823629422 /nfs/dbraw/zinc/62/94/22/823629422.db2.gz KNQCQBZZVKUCKU-QGZVFWFLSA-N 1 0 387.973 4.036 20 0 GIADRO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000412138784 823629576 /nfs/dbraw/zinc/62/95/76/823629576.db2.gz ZTMOHIXZPNAGQQ-FUHWJXTLSA-N 1 0 398.469 4.241 20 0 GIADRO C[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000412138785 823629581 /nfs/dbraw/zinc/62/95/81/823629581.db2.gz ZTMOHIXZPNAGQQ-SJLPKXTDSA-N 1 0 398.469 4.241 20 0 GIADRO C[C@@H]([NH2+]C[C@H](c1ccc(F)cc1)N(C)C)c1ccc(-n2cncn2)cc1Cl ZINC000124833952 823629639 /nfs/dbraw/zinc/62/96/39/823629639.db2.gz JGHCAXCLBNZCIT-JLTOFOAXSA-N 1 0 387.890 4.013 20 0 GIADRO Cc1cc(C(=O)NCCC[NH+]2CCCCCC2)ccc1NC(=O)c1cccs1 ZINC000124834440 823629714 /nfs/dbraw/zinc/62/97/14/823629714.db2.gz SSSLOFIJNBRSQL-UHFFFAOYSA-N 1 0 399.560 4.305 20 0 GIADRO Cc1noc(C)c1[C@H](C)NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000124839940 823629975 /nfs/dbraw/zinc/62/99/75/823629975.db2.gz QYNJMLYMCOHENC-ZLGUVYLKSA-N 1 0 396.535 4.049 20 0 GIADRO CC(C)(CNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)c1c(F)cccc1Cl ZINC000412150991 823630714 /nfs/dbraw/zinc/63/07/14/823630714.db2.gz SNFRIFPMMPOZIY-HNNXBMFYSA-N 1 0 398.975 4.090 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1CC(C)(C)Oc2ccccc21 ZINC000412159470 823631598 /nfs/dbraw/zinc/63/15/98/823631598.db2.gz RNLZITQIEGGSAV-IRLDBZIGSA-N 1 0 392.543 4.312 20 0 GIADRO O=C(c1cccc(C[NH+]2CCCCC2)c1)N1CC(Cc2ccc(F)c(F)c2)C1 ZINC000412161687 823631635 /nfs/dbraw/zinc/63/16/35/823631635.db2.gz AIBRJQFTLMUQOT-UHFFFAOYSA-N 1 0 384.470 4.265 20 0 GIADRO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1ccccc1Oc1ccc(F)cc1Cl ZINC000461415158 823631712 /nfs/dbraw/zinc/63/17/12/823631712.db2.gz DIZLTYFKTZLKJK-CYBMUJFWSA-N 1 0 385.888 4.184 20 0 GIADRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)Nc1ccccc1-n1cccn1 ZINC000062391188 823632158 /nfs/dbraw/zinc/63/21/58/823632158.db2.gz LZASVSSHFWNQME-UHFFFAOYSA-N 1 0 397.910 4.121 20 0 GIADRO CC1CCC([NH+]2CCC(N(C)C(=O)c3csc([C@H]4CCCO4)n3)CC2)CC1 ZINC000124864364 823632194 /nfs/dbraw/zinc/63/21/94/823632194.db2.gz NIXUIMWBVCVJLO-GXOAENINSA-N 1 0 391.581 4.110 20 0 GIADRO C[C@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)c1ccc(-c2ccncc2)cc1 ZINC000412170975 823632616 /nfs/dbraw/zinc/63/26/16/823632616.db2.gz ZSUDIINLCVDNRW-HTAPYJJXSA-N 1 0 395.572 4.143 20 0 GIADRO O=C(Cc1cccc(C(F)F)c1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461420529 823632653 /nfs/dbraw/zinc/63/26/53/823632653.db2.gz BCKYDMWGJKWUFU-RTWAWAEBSA-N 1 0 384.470 4.147 20 0 GIADRO CN(Cc1nc2c(s1)CCCC2)C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412173077 823632785 /nfs/dbraw/zinc/63/27/85/823632785.db2.gz VDAUSKYQDKBASU-UHFFFAOYSA-N 1 0 383.561 4.280 20 0 GIADRO CCOc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)c(C)c1 ZINC000062403376 823633018 /nfs/dbraw/zinc/63/30/18/823633018.db2.gz LZGQESYYPPNKJZ-UHFFFAOYSA-N 1 0 391.462 4.268 20 0 GIADRO CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412178427 823633108 /nfs/dbraw/zinc/63/31/08/823633108.db2.gz WLAIAGAWFCMHCW-XLIONFOSSA-N 1 0 390.593 4.006 20 0 GIADRO O=C(c1ccc(-c2ccccc2)[nH]1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461421477 823633102 /nfs/dbraw/zinc/63/31/02/823633102.db2.gz CPGMQTSPJOQNBN-FCHUYYIVSA-N 1 0 385.511 4.276 20 0 GIADRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)Nc1cccc(N2CCCCC2)c1 ZINC000062407320 823633377 /nfs/dbraw/zinc/63/33/77/823633377.db2.gz SEUTYWIMRFNHNX-UHFFFAOYSA-N 1 0 398.526 4.412 20 0 GIADRO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CCC[C@]2(CCCc3ccccc32)C1 ZINC000412181512 823633392 /nfs/dbraw/zinc/63/33/92/823633392.db2.gz YIFNQQSZVXQFIG-ZJSXRUAMSA-N 1 0 398.616 4.101 20 0 GIADRO O=C(c1cccc(C[NH+]2CCCCC2)c1)N(CCc1ccccc1)[C@H]1CCOC1 ZINC000412186794 823634042 /nfs/dbraw/zinc/63/40/42/823634042.db2.gz AICSYKPVEARVDE-DEOSSOPVSA-N 1 0 392.543 4.146 20 0 GIADRO CCc1ccccc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461425754 823634145 /nfs/dbraw/zinc/63/41/45/823634145.db2.gz IQHWJDJKCYDKBD-BPJRBCGYSA-N 1 0 388.555 4.333 20 0 GIADRO O=C(NCc1csc(-c2ccco2)n1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412189606 823634165 /nfs/dbraw/zinc/63/41/65/823634165.db2.gz DKUJCQRYPDZALF-UHFFFAOYSA-N 1 0 381.501 4.319 20 0 GIADRO C[C@H](CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)c1ccc(F)cc1F ZINC000461426907 823634301 /nfs/dbraw/zinc/63/43/01/823634301.db2.gz JXVUXNCTKRRGMP-RLLQIKCJSA-N 1 0 398.497 4.439 20 0 GIADRO O=C([C@@H]1C[C@H]1c1cccc(O)c1)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000412195470 823634548 /nfs/dbraw/zinc/63/45/48/823634548.db2.gz PUINTVMAEOQBQB-GNLZIIPMSA-N 1 0 390.527 4.009 20 0 GIADRO Fc1ccccc1OC[C@H]([NH2+]Cc1cnc(N2CCCC2)nc1)c1ccccc1 ZINC000062422361 823634711 /nfs/dbraw/zinc/63/47/11/823634711.db2.gz BRABFRCJLWMJPC-NRFANRHFSA-N 1 0 392.478 4.126 20 0 GIADRO CCCCCOc1ccc(C[NH2+][C@H](C)c2cccc(NS(C)(=O)=O)c2)cc1 ZINC000062421255 823634793 /nfs/dbraw/zinc/63/47/93/823634793.db2.gz XVBLGTORGMWDSR-QGZVFWFLSA-N 1 0 390.549 4.478 20 0 GIADRO CCOc1cc(C[NH2+]C[C@@H](c2ccc(C)cc2)N(C)C)ccc1OC(F)F ZINC000062423379 823634903 /nfs/dbraw/zinc/63/49/03/823634903.db2.gz XTVMSXNTZXUIHC-SFHVURJKSA-N 1 0 378.463 4.388 20 0 GIADRO O=C(C1CC[NH+](C[C@H]2CCC3(CCCCC3)O2)CC1)N1CCc2ccccc21 ZINC000190986960 823634938 /nfs/dbraw/zinc/63/49/38/823634938.db2.gz AMROINCKKJIIJP-OAQYLSRUSA-N 1 0 382.548 4.170 20 0 GIADRO Cc1ccc([C@@H](C[NH2+]Cc2cnn(Cc3ccccc3Cl)c2)N(C)C)cc1 ZINC000062423305 823635047 /nfs/dbraw/zinc/63/50/47/823635047.db2.gz TZSPIFPHCYTVSF-JOCHJYFZSA-N 1 0 382.939 4.286 20 0 GIADRO CCN(C(=O)[C@@H]1C[C@H]1c1cccc(O)c1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000412200495 823635154 /nfs/dbraw/zinc/63/51/54/823635154.db2.gz ZPTZYTVORAIEGI-XEDHWARRSA-N 1 0 378.516 4.180 20 0 GIADRO O=C(CCc1c[nH]c2ccccc12)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461429199 823635169 /nfs/dbraw/zinc/63/51/69/823635169.db2.gz NLTZPFYQXDEOCY-YADHBBJMSA-N 1 0 387.527 4.081 20 0 GIADRO Cc1c(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cnc2ccccc12 ZINC000461431099 823635587 /nfs/dbraw/zinc/63/55/87/823635587.db2.gz QLJVFANJNUHNOC-LEWJYISDSA-N 1 0 385.511 4.137 20 0 GIADRO CC(C)OCCOCc1cccc(NC(=O)NCC(C)(C)[NH+]2CCCCC2)c1 ZINC000062451236 823635643 /nfs/dbraw/zinc/63/56/43/823635643.db2.gz QZUXRMYJAGSRKK-UHFFFAOYSA-N 1 0 391.556 4.014 20 0 GIADRO O=C(c1ccc2sccc2c1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461431367 823635776 /nfs/dbraw/zinc/63/57/76/823635776.db2.gz RSVBUOFOZZAUNY-LEWJYISDSA-N 1 0 376.525 4.495 20 0 GIADRO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1c(Cl)cccc1Cl ZINC000190991576 823635786 /nfs/dbraw/zinc/63/57/86/823635786.db2.gz UBMOVOVOICXKLS-INIZCTEOSA-N 1 0 393.314 4.014 20 0 GIADRO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1c(Cl)cccc1Cl ZINC000190991551 823635805 /nfs/dbraw/zinc/63/58/05/823635805.db2.gz UBMOVOVOICXKLS-MRXNPFEDSA-N 1 0 393.314 4.014 20 0 GIADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@H]2CC(C)(C)Oc3ccccc32)CC1 ZINC000412210224 823636112 /nfs/dbraw/zinc/63/61/12/823636112.db2.gz YYAHMJDGLMDMSU-UTKZUKDTSA-N 1 0 393.531 4.068 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)N1CCC(c2cc3ccccc3[nH]2)CC1)c1cccs1 ZINC000062466066 823636451 /nfs/dbraw/zinc/63/64/51/823636451.db2.gz RXLYKEBEPMRJNO-FQEVSTJZSA-N 1 0 396.560 4.421 20 0 GIADRO CC(C)OCc1c2ccccc2oc1C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000461434136 823636503 /nfs/dbraw/zinc/63/65/03/823636503.db2.gz DWIUXVDBGJHSEX-GOSISDBHSA-N 1 0 384.520 4.306 20 0 GIADRO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)c1ccc(OC)cc1 ZINC000461434423 823636669 /nfs/dbraw/zinc/63/66/69/823636669.db2.gz YWHQWNHYXBJBGQ-GPXNEJASSA-N 1 0 392.543 4.169 20 0 GIADRO Cc1ccc2nc(C)c(C(=O)N3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@H]4C3)cc2c1 ZINC000461435707 823636788 /nfs/dbraw/zinc/63/67/88/823636788.db2.gz KDDCDHGVGUQOGZ-GMAHTHKFSA-N 1 0 399.538 4.446 20 0 GIADRO C[C@H](CCc1ccccc1)NC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000062473739 823636896 /nfs/dbraw/zinc/63/68/96/823636896.db2.gz WZUOURIWCDDCKQ-QGZVFWFLSA-N 1 0 389.490 4.059 20 0 GIADRO C[C@H](C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)c1ccc(F)c(F)c1 ZINC000461436016 823637044 /nfs/dbraw/zinc/63/70/44/823637044.db2.gz MNBXWYOCKZZJLZ-PWIZWCRZSA-N 1 0 384.470 4.049 20 0 GIADRO O=C(c1ccc(Oc2ccncc2)c(Cl)c1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000461437044 823637166 /nfs/dbraw/zinc/63/71/66/823637166.db2.gz RGYWETMBFNJTSH-QGZVFWFLSA-N 1 0 399.922 4.475 20 0 GIADRO CCC(CC)c1cc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)on1 ZINC000461437668 823637267 /nfs/dbraw/zinc/63/72/67/823637267.db2.gz IJSNZJWKTJNTNI-VQTJNVASSA-N 1 0 381.520 4.172 20 0 GIADRO Cc1ccc(CNC(=O)N(CC[NH+](C)C)Cc2cccc(C(F)(F)F)c2)s1 ZINC000062478621 823637615 /nfs/dbraw/zinc/63/76/15/823637615.db2.gz BTPPWXKEWJACHL-UHFFFAOYSA-N 1 0 399.482 4.349 20 0 GIADRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)NCc1ccsc1 ZINC000062485199 823638209 /nfs/dbraw/zinc/63/82/09/823638209.db2.gz NEKFJIIMPCIARQ-UHFFFAOYSA-N 1 0 385.455 4.040 20 0 GIADRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)NC[C@@H]1CCCc2ccccc21 ZINC000062486988 823638388 /nfs/dbraw/zinc/63/83/88/823638388.db2.gz URFXVYVDLFBNES-FQEVSTJZSA-N 1 0 383.511 4.019 20 0 GIADRO C[N@@H+]1CC[C@H](CNC(=O)C(C)(C)CC(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000412238944 823638616 /nfs/dbraw/zinc/63/86/16/823638616.db2.gz YBGIPENWTJQPNY-MLGOLLRUSA-N 1 0 376.850 4.270 20 0 GIADRO O=C([C@@H]1C[C@@H]1c1ccc(F)c(F)c1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461443513 823638707 /nfs/dbraw/zinc/63/87/07/823638707.db2.gz BAKHXCJVIRVZTQ-DOIPELPJSA-N 1 0 396.481 4.049 20 0 GIADRO C[C@H](Cc1ccccc1F)NC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000062499602 823638738 /nfs/dbraw/zinc/63/87/38/823638738.db2.gz DPCHHWTUEKXEOF-MRXNPFEDSA-N 1 0 391.918 4.184 20 0 GIADRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1)c1nc2ccccc2[nH]1 ZINC000062502182 823638975 /nfs/dbraw/zinc/63/89/75/823638975.db2.gz UUUREDLYJAPDFQ-HNNXBMFYSA-N 1 0 399.926 4.051 20 0 GIADRO O=C(c1cccc(-n2cccc2)c1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461445159 823639017 /nfs/dbraw/zinc/63/90/17/823639017.db2.gz LRJRZEOGSJEWEU-GOTSBHOMSA-N 1 0 385.511 4.071 20 0 GIADRO Cc1[nH]c2ccc(C(=O)N3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@H]4C3)cc2c1C ZINC000461445489 823639243 /nfs/dbraw/zinc/63/92/43/823639243.db2.gz RXQUAJQGNFRSJL-VXKWHMMOSA-N 1 0 387.527 4.379 20 0 GIADRO Cc1c2cc(C)ccc2[nH]c1C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461445768 823639323 /nfs/dbraw/zinc/63/93/23/823639323.db2.gz IHGSGWFVIWXMRR-SFTDATJTSA-N 1 0 387.527 4.379 20 0 GIADRO O=C(C[C@@H]1CCCN1C(=O)c1cccc(C[NH+]2CCCC2)c1)c1ccc(F)cc1 ZINC000124950996 823639892 /nfs/dbraw/zinc/63/98/92/823639892.db2.gz WDADCWGZLDPFEI-QFIPXVFZSA-N 1 0 394.490 4.299 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2OC(F)(F)F)c1 ZINC000124955716 823640323 /nfs/dbraw/zinc/64/03/23/823640323.db2.gz CIXJMXBIVFEXKD-SJORKVTESA-N 1 0 378.394 4.389 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000191034939 823640753 /nfs/dbraw/zinc/64/07/53/823640753.db2.gz BRUWWUQKTXTYFD-HOTGVXAUSA-N 1 0 377.495 4.261 20 0 GIADRO O=C([C@@H]1C[C@@H]1c1ccccc1Cl)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461453915 823640899 /nfs/dbraw/zinc/64/08/99/823640899.db2.gz HAOLFBZIZJQZAM-YVNJGZBMSA-N 1 0 394.946 4.424 20 0 GIADRO Cc1ccc(CCCC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000461453514 823640904 /nfs/dbraw/zinc/64/09/04/823640904.db2.gz YNUOTARDRKVQQZ-RPWUZVMVSA-N 1 0 376.544 4.298 20 0 GIADRO COc1cc(Cl)c(F)c(C(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000412261924 823641022 /nfs/dbraw/zinc/64/10/22/823641022.db2.gz XKOVXAMUOLBOOR-GDBMZVCRSA-N 1 0 390.886 4.128 20 0 GIADRO COc1cc(Cl)c(F)c(C(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000412261925 823641050 /nfs/dbraw/zinc/64/10/50/823641050.db2.gz XKOVXAMUOLBOOR-GOEBONIOSA-N 1 0 390.886 4.128 20 0 GIADRO O=C(c1ccc(C(F)(F)F)cc1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461454194 823641080 /nfs/dbraw/zinc/64/10/80/823641080.db2.gz GQYQPFXKXSJXRW-RTBURBONSA-N 1 0 388.433 4.300 20 0 GIADRO O=C([C@@H]1C[C@@H]1c1cc(F)ccc1F)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461456680 823641452 /nfs/dbraw/zinc/64/14/52/823641452.db2.gz NREHIKBWLMKQIT-BAYUQKDNSA-N 1 0 396.481 4.049 20 0 GIADRO COc1cc([C@H](C)[NH2+]C[C@@H](O)C2CCCCC2)ccc1OCc1ccncc1 ZINC000191044149 823641600 /nfs/dbraw/zinc/64/16/00/823641600.db2.gz JNNHYTYOSAXPOF-LAUBAEHRSA-N 1 0 384.520 4.261 20 0 GIADRO CC(C)Oc1ccccc1C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461459112 823642084 /nfs/dbraw/zinc/64/20/84/823642084.db2.gz ZFRBVKGQILFOCY-SFTDATJTSA-N 1 0 378.516 4.068 20 0 GIADRO CC(C)Oc1ccccc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461459110 823642092 /nfs/dbraw/zinc/64/20/92/823642092.db2.gz ZFRBVKGQILFOCY-NHCUHLMSSA-N 1 0 378.516 4.068 20 0 GIADRO CC(C)Nc1cc(F)ccc1NC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000461464492 823642758 /nfs/dbraw/zinc/64/27/58/823642758.db2.gz RJUDRSCSYSUAHR-UHFFFAOYSA-N 1 0 398.526 4.429 20 0 GIADRO Cc1csc2nc(C)nc(Sc3nnc([C@H]4CCC[NH2+]C4)n3C(C)C)c12 ZINC000124984961 823642804 /nfs/dbraw/zinc/64/28/04/823642804.db2.gz IUZUXLFJRDMSFL-ZDUSSCGKSA-N 1 0 388.566 4.099 20 0 GIADRO CCc1ccc([C@H](CNC(=O)N(C)CCCc2ccc(OC)cc2)[NH+](C)C)cc1 ZINC000062641679 823643139 /nfs/dbraw/zinc/64/31/39/823643139.db2.gz GSUKFJMTLJVQHA-QHCPKHFHSA-N 1 0 397.563 4.135 20 0 GIADRO C[C@@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)c1ccc(Cl)cc1Cl ZINC000412292360 823643455 /nfs/dbraw/zinc/64/34/55/823643455.db2.gz MGILMHOKAMLFOL-DOMZBBRYSA-N 1 0 387.376 4.388 20 0 GIADRO Cc1csc(N2CCC([NH2+]C[C@@H](c3ccc(C)cc3)N3CCCC3)CC2)n1 ZINC000124994479 823643527 /nfs/dbraw/zinc/64/35/27/823643527.db2.gz AQDQBURZQOGWFJ-NRFANRHFSA-N 1 0 384.593 4.155 20 0 GIADRO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1c[nH]c2cc(F)ccc12 ZINC000461470123 823643540 /nfs/dbraw/zinc/64/35/40/823643540.db2.gz SDCLBJXPOHYWJH-SFHVURJKSA-N 1 0 379.479 4.339 20 0 GIADRO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1coc(C2CCCC2)n1 ZINC000461469093 823643580 /nfs/dbraw/zinc/64/35/80/823643580.db2.gz URRCGPGMZIMICL-IBGZPJMESA-N 1 0 381.520 4.364 20 0 GIADRO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1c[nH]nc1-c1ccccc1 ZINC000461471069 823643758 /nfs/dbraw/zinc/64/37/58/823643758.db2.gz MKJBFUVDESRLJU-FQEVSTJZSA-N 1 0 388.515 4.109 20 0 GIADRO COc1cc(CC[NH2+]Cc2cc(Br)c(Cl)s2)ccc1O ZINC000191067902 823644561 /nfs/dbraw/zinc/64/45/61/823644561.db2.gz RFQJOZNMBPAQFI-UHFFFAOYSA-N 1 0 376.703 4.211 20 0 GIADRO CCNC(=O)Nc1cccc(NC(=O)c2cccc(C[NH+]3CCCCC3)c2)c1C ZINC000412306837 823644870 /nfs/dbraw/zinc/64/48/70/823644870.db2.gz QABXUYHMXLWWHZ-UHFFFAOYSA-N 1 0 394.519 4.375 20 0 GIADRO O=C(N[C@@H]1CCSc2c(F)cccc21)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000125010560 823644996 /nfs/dbraw/zinc/64/49/96/823644996.db2.gz XCGVDGKKVLOLBD-ZMYBRWDISA-N 1 0 389.540 4.021 20 0 GIADRO Cc1cccc(C(C)(C)CNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000062863223 823645238 /nfs/dbraw/zinc/64/52/38/823645238.db2.gz VAQUPJMTSBLLPY-UHFFFAOYSA-N 1 0 395.616 4.401 20 0 GIADRO CC(C)Cc1nnc(N2CCC[C@H]([NH+]3CCCC3)CC2)n1Cc1cccs1 ZINC000461483070 823645958 /nfs/dbraw/zinc/64/59/58/823645958.db2.gz CDLYCEWIAXZKBP-SFHVURJKSA-N 1 0 387.597 4.041 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)Nc2cccc(NC(C)=O)c2C)c1 ZINC000125028194 823646387 /nfs/dbraw/zinc/64/63/87/823646387.db2.gz JIGNHQJBXFVQGN-UHFFFAOYSA-N 1 0 382.508 4.117 20 0 GIADRO Cc1ccc([C@H](C[NH2+][C@H]2CCN(Cc3ccccn3)C[C@@H]2C)N2CCCC2)cc1 ZINC000125028113 823646420 /nfs/dbraw/zinc/64/64/20/823646420.db2.gz FIUVIWXTOTVIGV-TUSQITKMSA-N 1 0 392.591 4.027 20 0 GIADRO OC[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000191085254 823646752 /nfs/dbraw/zinc/64/67/52/823646752.db2.gz NFTDKNZTSHYECZ-NSHDSACASA-N 1 0 399.741 4.339 20 0 GIADRO O=C(Nc1ncc(-c2ccccc2F)s1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412328708 823646780 /nfs/dbraw/zinc/64/67/80/823646780.db2.gz IJMSBFMCKUFWJE-AWEZNQCLSA-N 1 0 391.537 4.105 20 0 GIADRO Cc1cccc(C)c1NC(=O)[C@@H](C)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000125034672 823646989 /nfs/dbraw/zinc/64/69/89/823646989.db2.gz JNALVJOJCHZSHJ-HXUWFJFHSA-N 1 0 394.563 4.273 20 0 GIADRO Cc1ccc([C@H](C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)N2CCCC2)cc1 ZINC000125036436 823647190 /nfs/dbraw/zinc/64/71/90/823647190.db2.gz GYKVVQYBCQBIDR-XXBNENTESA-N 1 0 375.520 4.063 20 0 GIADRO COc1ccc(OC)c([C@H](O)C[NH2+][C@H](C)c2ccc(SC(F)F)cc2)c1 ZINC000125046768 823647824 /nfs/dbraw/zinc/64/78/24/823647824.db2.gz OOENYDFBMNZXCZ-SJKOYZFVSA-N 1 0 383.460 4.403 20 0 GIADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)c1sc(C)cc1Br)c1ccco1 ZINC000412336241 823647937 /nfs/dbraw/zinc/64/79/37/823647937.db2.gz OGZZNJBKPHNUIS-GWCFXTLKSA-N 1 0 385.327 4.271 20 0 GIADRO CC[C@@H](c1nnc(N2CC[NH+](CC)CC2)n1Cc1cccs1)c1ccccc1 ZINC000461495097 823648394 /nfs/dbraw/zinc/64/83/94/823648394.db2.gz KISDLFQYIUUVJW-HXUWFJFHSA-N 1 0 395.576 4.072 20 0 GIADRO O=C(NC[C@@H]1CCN(c2ccccc2F)C1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412352208 823649212 /nfs/dbraw/zinc/64/92/12/823649212.db2.gz CSIJWXPXKDWNMF-FQEVSTJZSA-N 1 0 395.522 4.068 20 0 GIADRO CCOC(=O)N1CCC([NH2+]CC2(c3cc(F)cc(C(F)(F)F)c3)CC2)CC1 ZINC000191101600 823649388 /nfs/dbraw/zinc/64/93/88/823649388.db2.gz JQZROLJZHCAAFV-UHFFFAOYSA-N 1 0 388.405 4.087 20 0 GIADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)NCCc2ccccc2Cl)CC1 ZINC000063070069 823649965 /nfs/dbraw/zinc/64/99/65/823649965.db2.gz VQSZYIGUMNJDRE-UHFFFAOYSA-N 1 0 385.939 4.108 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)NCCc2ccccc2Cl)CC1 ZINC000063070443 823650086 /nfs/dbraw/zinc/65/00/86/823650086.db2.gz JZFAUBRRMRIDJG-UHFFFAOYSA-N 1 0 385.939 4.155 20 0 GIADRO Cc1ccc(OC[C@H](C)NC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000063071428 823650153 /nfs/dbraw/zinc/65/01/53/823650153.db2.gz AFVRXZOQQKWBPE-FQEVSTJZSA-N 1 0 395.547 4.035 20 0 GIADRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)c1cc(-c2cccs2)on1 ZINC000063080487 823650425 /nfs/dbraw/zinc/65/04/25/823650425.db2.gz IRWCOCJLMOHQNK-UHFFFAOYSA-N 1 0 381.501 4.045 20 0 GIADRO O=C(CSc1ccc(F)c(F)c1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000063080935 823650508 /nfs/dbraw/zinc/65/05/08/823650508.db2.gz LUWIVQRWIANFJA-UHFFFAOYSA-N 1 0 390.499 4.085 20 0 GIADRO COc1ccc([C@H](C[NH2+][C@H](C)c2csc(Cl)c2)N2CCOCC2)cc1 ZINC000191115745 823650712 /nfs/dbraw/zinc/65/07/12/823650712.db2.gz PMQBETXPAFJAJK-KDOFPFPSSA-N 1 0 380.941 4.134 20 0 GIADRO COCC(C)(C)CC(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000412377245 823650781 /nfs/dbraw/zinc/65/07/81/823650781.db2.gz RWIBQKYBMDDBHJ-JOCHJYFZSA-N 1 0 386.580 4.198 20 0 GIADRO CN(Cc1ccccc1Cl)C(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000063143847 823652551 /nfs/dbraw/zinc/65/25/51/823652551.db2.gz IFXSGFAOZCJPFO-UHFFFAOYSA-N 1 0 387.980 4.311 20 0 GIADRO Cc1ccc(CN(CCc2ccccc2)C(=S)NC2CC[NH+](C)CC2)s1 ZINC000063145123 823652727 /nfs/dbraw/zinc/65/27/27/823652727.db2.gz MLJDEYFOJACMDS-UHFFFAOYSA-N 1 0 387.618 4.070 20 0 GIADRO S=C(NCc1cc2ccccc2o1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000063148973 823653009 /nfs/dbraw/zinc/65/30/09/823653009.db2.gz BIFBXHCZNFOZOW-UHFFFAOYSA-N 1 0 379.529 4.062 20 0 GIADRO CCOc1cc(C)ccc1NC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000063149851 823653189 /nfs/dbraw/zinc/65/31/89/823653189.db2.gz FDSKMVMHEIRTAH-UHFFFAOYSA-N 1 0 383.561 4.345 20 0 GIADRO CCOc1ccc(NC(=S)NC2CC[NH+](Cc3ccccc3)CC2)cc1F ZINC000063150208 823653210 /nfs/dbraw/zinc/65/32/10/823653210.db2.gz KVZCLPUQDANZFP-UHFFFAOYSA-N 1 0 387.524 4.175 20 0 GIADRO Cc1csc(Sc2ccc(NC(=O)NCC[NH+]3CCCCC3)cc2)n1 ZINC000063162715 823653602 /nfs/dbraw/zinc/65/36/02/823653602.db2.gz PLDUVVWEGMFDSA-UHFFFAOYSA-N 1 0 376.551 4.210 20 0 GIADRO Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@@H](C)c3csc(Cl)c3)CC2)cc1 ZINC000191153081 823654181 /nfs/dbraw/zinc/65/41/81/823654181.db2.gz YORKSNHLHLLBBG-AWEZNQCLSA-N 1 0 398.981 4.214 20 0 GIADRO Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+](C)CCCNC(=O)OC(C)(C)C)c(Cl)c1 ZINC000125135984 823654172 /nfs/dbraw/zinc/65/41/72/823654172.db2.gz BWTAYKCGIGVVPA-OAHLLOKOSA-N 1 0 397.947 4.130 20 0 GIADRO CCc1nn(C)c(CC)c1CC(=O)Nc1cccc2c1C[N@H+](CCC(C)C)C2 ZINC000191159690 823654902 /nfs/dbraw/zinc/65/49/02/823654902.db2.gz GMZJKQFFPPRFBA-UHFFFAOYSA-N 1 0 382.552 4.088 20 0 GIADRO Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)NCCC[NH+]1CCCCC1 ZINC000191163784 823655287 /nfs/dbraw/zinc/65/52/87/823655287.db2.gz OSBIUPKMTDRMEP-UHFFFAOYSA-N 1 0 395.425 4.275 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)CCCc3ccc(C)cc3)CC2)cc1 ZINC000063262696 823658000 /nfs/dbraw/zinc/65/80/00/823658000.db2.gz RVIWDYWDWOEFLH-UHFFFAOYSA-N 1 0 394.559 4.355 20 0 GIADRO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1c2c(nc3ccccc31)CCC2 ZINC000063272638 823658722 /nfs/dbraw/zinc/65/87/22/823658722.db2.gz TUDZJPKOYCLNHQ-UHFFFAOYSA-N 1 0 377.532 4.108 20 0 GIADRO CC[C@@H](C)Oc1cccc(NC(=O)Nc2ccccc2N2CC[NH+](C)CC2)c1 ZINC000063274345 823658912 /nfs/dbraw/zinc/65/89/12/823658912.db2.gz RXSQYCQHUOBLBS-QGZVFWFLSA-N 1 0 382.508 4.260 20 0 GIADRO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000125205292 823658988 /nfs/dbraw/zinc/65/89/88/823658988.db2.gz YQSZWWXGACJALX-ZDUSSCGKSA-N 1 0 386.970 4.080 20 0 GIADRO CCCc1ccc([C@@H](C)[NH2+]Cc2ccccc2CS(=O)(=O)NC(C)C)cc1 ZINC000125219485 823659870 /nfs/dbraw/zinc/65/98/70/823659870.db2.gz PMLYCKXXPVGKGF-GOSISDBHSA-N 1 0 388.577 4.318 20 0 GIADRO CS(=O)(=O)c1ccc(OCCC[N@H+](C2CC2)[C@H]2CCc3ccccc32)cc1 ZINC000063286854 823660014 /nfs/dbraw/zinc/66/00/14/823660014.db2.gz SGIDDLRPVSPTSI-QFIPXVFZSA-N 1 0 385.529 4.011 20 0 GIADRO C[C@@H](CC(=O)OC[C@H]1CCC[N@H+](Cc2cc(F)ccc2F)C1)c1ccncc1 ZINC000125231306 823660707 /nfs/dbraw/zinc/66/07/07/823660707.db2.gz PSSRNCYPBWKQMW-IRXDYDNUSA-N 1 0 388.458 4.309 20 0 GIADRO c1ccc(OCc2ccncc2)c(CNC2CC[NH+](CC3CCCC3)CC2)c1 ZINC000063319736 823662104 /nfs/dbraw/zinc/66/21/04/823662104.db2.gz BNTWGCZAABCOQE-UHFFFAOYSA-N 1 0 379.548 4.405 20 0 GIADRO CCc1cc(C(=O)Nc2ccc(C[NH+](C)C)cc2F)c2c(n1)onc2C(C)C ZINC000412559238 823662226 /nfs/dbraw/zinc/66/22/26/823662226.db2.gz MXAAOJXNCVXZLA-UHFFFAOYSA-N 1 0 384.455 4.362 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(C(C)(C)C)cc1)c1ccc(N2CCOC2=O)cc1 ZINC000125249652 823662250 /nfs/dbraw/zinc/66/22/50/823662250.db2.gz DSPPSJLZNXKTAV-IIBYNOLFSA-N 1 0 382.504 4.325 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)[C@@H]1C[C@H]1c1ccccc1Cl ZINC000412561649 823662478 /nfs/dbraw/zinc/66/24/78/823662478.db2.gz FOLDJZXLKUOVQW-DLBZAZTESA-N 1 0 388.895 4.031 20 0 GIADRO Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(C[NH+](C)C)cc3F)cc2)n1 ZINC000412562561 823662743 /nfs/dbraw/zinc/66/27/43/823662743.db2.gz WVMRRIYEMQBCNL-UHFFFAOYSA-N 1 0 380.467 4.001 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)[C@H](C)c1ccc(Cl)s1 ZINC000412566498 823662905 /nfs/dbraw/zinc/66/29/05/823662905.db2.gz UPFTVABCSLHMKV-GFCCVEGCSA-N 1 0 382.913 4.093 20 0 GIADRO COCC[N@H+](Cc1cccnc1)Cc1cc(Br)cc2cccnc21 ZINC000191247976 823663163 /nfs/dbraw/zinc/66/31/63/823663163.db2.gz ZQYXHOZRDIFNNF-UHFFFAOYSA-N 1 0 386.293 4.041 20 0 GIADRO CCOc1cccc([C@@H](C)[NH2+][C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)c1 ZINC000125262178 823663200 /nfs/dbraw/zinc/66/32/00/823663200.db2.gz TWNYGBUXSYABCQ-DLBZAZTESA-N 1 0 388.533 4.037 20 0 GIADRO C[NH+](C)Cc1ccc(NC(=O)[C@]2(Cc3cccc(Cl)c3)CCOC2)c(F)c1 ZINC000412568837 823663289 /nfs/dbraw/zinc/66/32/89/823663289.db2.gz FZMBSOVIPVMAHF-NRFANRHFSA-N 1 0 390.886 4.129 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)c1ccc(SC2CC2)cc1 ZINC000412578330 823664020 /nfs/dbraw/zinc/66/40/20/823664020.db2.gz RAWLWILAHYPHRG-UHFFFAOYSA-N 1 0 386.517 4.142 20 0 GIADRO C[C@@H]([NH2+]C[C@H](O)c1ccc(C(C)(C)C)cc1)c1cccc(N2CCOC2=O)c1 ZINC000125280156 823664409 /nfs/dbraw/zinc/66/44/09/823664409.db2.gz TVEQHMPCWMMIID-IERDGZPVSA-N 1 0 382.504 4.325 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)c1ccc(C(C)(C)C)cc1)c1cccc(N2CCOC2=O)c1 ZINC000125279939 823664414 /nfs/dbraw/zinc/66/44/14/823664414.db2.gz TVEQHMPCWMMIID-KKSFZXQISA-N 1 0 382.504 4.325 20 0 GIADRO Cc1c([C@@H](C)[NH2+][C@H]2CCN(c3ccc(Br)cc3)C2)cnn1C(C)C ZINC000191261308 823664737 /nfs/dbraw/zinc/66/47/37/823664737.db2.gz TXTIRQHPXFKHBQ-PBHICJAKSA-N 1 0 391.357 4.464 20 0 GIADRO CCN(C(=O)NCc1ccccc1OCC[NH+](C)C)[C@H](C)c1ccc(F)cc1 ZINC000125288728 823665184 /nfs/dbraw/zinc/66/51/84/823665184.db2.gz HHTZQRYXDWSSLR-QGZVFWFLSA-N 1 0 387.499 4.059 20 0 GIADRO C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2cc(-c3ccc(Cl)s3)on2)CC1 ZINC000125294169 823665623 /nfs/dbraw/zinc/66/56/23/823665623.db2.gz DWSOBWKCIWXLIE-GFCCVEGCSA-N 1 0 379.913 4.145 20 0 GIADRO Cc1c([C@@H](C)[NH2+]CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)cnn1C(C)(C)C ZINC000191274956 823666284 /nfs/dbraw/zinc/66/62/84/823666284.db2.gz CJIHWZCWXNBVHT-WBVHZDCISA-N 1 0 378.561 4.244 20 0 GIADRO O=C(Nc1ccccc1OCC(F)(F)F)NC1CC[NH+](CC2CCCC2)CC1 ZINC000063390322 823666625 /nfs/dbraw/zinc/66/66/25/823666625.db2.gz VVHGABZKFUGNBW-UHFFFAOYSA-N 1 0 399.457 4.404 20 0 GIADRO C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)N3CC[NH+](CC4CC4)CC3)c2)C1 ZINC000063398559 823668038 /nfs/dbraw/zinc/66/80/38/823668038.db2.gz CSZHLMRAFZJCNG-GCJKJVERSA-N 1 0 385.552 4.341 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)N[C@@H]2CCCc3c(O)cccc32)CC1 ZINC000191316400 823670752 /nfs/dbraw/zinc/67/07/52/823670752.db2.gz QFVXSYOGGJBYMW-JOCHJYFZSA-N 1 0 393.531 4.076 20 0 GIADRO CC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)c1 ZINC000125384181 823672086 /nfs/dbraw/zinc/67/20/86/823672086.db2.gz XVGSBDQQRHXDFF-STQMWFEESA-N 1 0 376.403 4.168 20 0 GIADRO CC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(OC(F)F)cc2)c1 ZINC000125384430 823672123 /nfs/dbraw/zinc/67/21/23/823672123.db2.gz XVGSBDQQRHXDFF-OLZOCXBDSA-N 1 0 376.403 4.168 20 0 GIADRO CCCNC(=O)C1CC[NH+](Cc2cc(OC)c(OC)cc2-c2ccccc2)CC1 ZINC000125394482 823672959 /nfs/dbraw/zinc/67/29/59/823672959.db2.gz KZONAOXWKHJTGU-UHFFFAOYSA-N 1 0 396.531 4.109 20 0 GIADRO CC(C)Oc1ccccc1CNC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000063463928 823673216 /nfs/dbraw/zinc/67/32/16/823673216.db2.gz LNVOAZSTLLVMQK-OAQYLSRUSA-N 1 0 395.547 4.185 20 0 GIADRO CCN(Cc1ccc(OC)cc1)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000063463826 823673232 /nfs/dbraw/zinc/67/32/32/823673232.db2.gz DZDAOESFXDEPDX-JOCHJYFZSA-N 1 0 395.547 4.139 20 0 GIADRO O=C(NCc1nc2ccccc2s1)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000063464534 823673405 /nfs/dbraw/zinc/67/34/05/823673405.db2.gz PZQFDIQOCASMEC-GOSISDBHSA-N 1 0 394.544 4.008 20 0 GIADRO CCC[N@H+](CC)C[C@H](C)NC(=O)Cc1csc(-c2ccccc2Cl)n1 ZINC000461641645 823674149 /nfs/dbraw/zinc/67/41/49/823674149.db2.gz RNAGZQNEAHVECR-AWEZNQCLSA-N 1 0 379.957 4.243 20 0 GIADRO Cc1c(-c2cc(C[N@H+](CCc3ccccc3)Cc3cccnc3)on2)cnn1C ZINC000191351595 823675420 /nfs/dbraw/zinc/67/54/20/823675420.db2.gz PWCBLPZOTYPBAE-UHFFFAOYSA-N 1 0 387.487 4.023 20 0 GIADRO C[C@H]([NH2+]CCCOc1ccc2ccccc2c1)c1ccc(S(C)(=O)=O)cc1 ZINC000125428251 823675443 /nfs/dbraw/zinc/67/54/43/823675443.db2.gz PVROIIYKFIBPOT-KRWDZBQOSA-N 1 0 383.513 4.363 20 0 GIADRO O[C@H](COc1cccc(C(F)(F)F)c1)C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000063484737 823675577 /nfs/dbraw/zinc/67/55/77/823675577.db2.gz CMHVNFKNAKDGSW-PKOBYXMFSA-N 1 0 383.385 4.421 20 0 GIADRO COc1ccccc1[C@@H](C[NH2+]Cc1ccccc1OCC1CC1)N1CCCC1 ZINC000063507499 823676874 /nfs/dbraw/zinc/67/68/74/823676874.db2.gz KNQVVODPIHKZBD-JOCHJYFZSA-N 1 0 380.532 4.411 20 0 GIADRO O=C(CN1CCC([NH+]2CCCCC2)CC1)Nc1ccccc1-c1ccccc1 ZINC000063516023 823677435 /nfs/dbraw/zinc/67/74/35/823677435.db2.gz WFWBWOLIYUHFNM-UHFFFAOYSA-N 1 0 377.532 4.242 20 0 GIADRO CNC(=O)c1ccc(C[N@H+](Cc2ccccc2Oc2cccnc2)C2CC2)cc1 ZINC000063518004 823677460 /nfs/dbraw/zinc/67/74/60/823677460.db2.gz JNTBLSHKDWOYGC-UHFFFAOYSA-N 1 0 387.483 4.398 20 0 GIADRO Cc1ccc(Sc2ncccc2C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)c(C)c1 ZINC000063530785 823677760 /nfs/dbraw/zinc/67/77/60/823677760.db2.gz XLOCVCOCJMHUDC-SFHVURJKSA-N 1 0 383.561 4.310 20 0 GIADRO CCC1(CC)[C@H]([NH2+]CC(=O)Nc2c(Cl)cccc2C(F)(F)F)C[C@H]1OC ZINC000191370739 823677871 /nfs/dbraw/zinc/67/78/71/823677871.db2.gz OAVAFPMVGNZJPT-ZIAGYGMSSA-N 1 0 392.849 4.481 20 0 GIADRO COc1cc(OC)cc(OCCC[NH2+][C@@H](C)c2cnn(C(C)(C)C)c2C)c1 ZINC000191378242 823678392 /nfs/dbraw/zinc/67/83/92/823678392.db2.gz XMTMHDRNGWDJDK-HNNXBMFYSA-N 1 0 375.513 4.083 20 0 GIADRO O[C@@H](C[NH2+]Cc1cccc2ccccc21)COc1cccc(C(F)(F)F)c1 ZINC000063548609 823678700 /nfs/dbraw/zinc/67/87/00/823678700.db2.gz LIIUAABOUIHLSB-SFHVURJKSA-N 1 0 375.390 4.388 20 0 GIADRO CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+]Cc2ccc(C(C)(C)C)cc2)cc1 ZINC000063546320 823678729 /nfs/dbraw/zinc/67/87/29/823678729.db2.gz UEUXTWDRKDIWPF-UHFFFAOYSA-N 1 0 388.577 4.303 20 0 GIADRO Cc1noc(C)c1C[NH2+]Cc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1 ZINC000063550290 823678905 /nfs/dbraw/zinc/67/89/05/823678905.db2.gz JTXYOVGOFDZBOW-AWEZNQCLSA-N 1 0 382.304 4.453 20 0 GIADRO COc1ccc(C2(C[NH2+]Cc3ccc(-n4cncn4)c(F)c3)CCCCC2)cc1 ZINC000063558893 823679236 /nfs/dbraw/zinc/67/92/36/823679236.db2.gz OSWWJNXJEOWCJP-UHFFFAOYSA-N 1 0 394.494 4.407 20 0 GIADRO Cc1c([C@H](C)[NH2+]Cc2ccc(COC3CCOCC3)cc2)cnn1C(C)(C)C ZINC000191389706 823679446 /nfs/dbraw/zinc/67/94/46/823679446.db2.gz LGTCBMYOZWZMDM-KRWDZBQOSA-N 1 0 385.552 4.493 20 0 GIADRO C[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccccc2C(=O)c2ccccc2)CC1 ZINC000125493171 823680585 /nfs/dbraw/zinc/68/05/85/823680585.db2.gz ZNRGGSNUQWTPGZ-SFHVURJKSA-N 1 0 376.500 4.007 20 0 GIADRO C[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccc(COc3ccc(F)cc3)o2)CC1 ZINC000125499592 823681103 /nfs/dbraw/zinc/68/11/03/823681103.db2.gz JDBAIZDFDAEFSE-INIZCTEOSA-N 1 0 386.467 4.087 20 0 GIADRO Cc1ccccc1[C@H](OC[C@@H](O)C[N@@H+](C(C)C)C1CCOCC1)c1ccccc1 ZINC000125503287 823681249 /nfs/dbraw/zinc/68/12/49/823681249.db2.gz JAMRDYLAFLGECQ-UKILVPOCSA-N 1 0 397.559 4.351 20 0 GIADRO Cc1ccccc1[C@H](OC[C@H](O)C[N@@H+](C(C)C)C1CCOCC1)c1ccccc1 ZINC000125502843 823681256 /nfs/dbraw/zinc/68/12/56/823681256.db2.gz JAMRDYLAFLGECQ-ILBGXUMGSA-N 1 0 397.559 4.351 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)[NH+](C)C)cc1 ZINC000063586771 823681372 /nfs/dbraw/zinc/68/13/72/823681372.db2.gz QRJLYPGKQPEYGN-LJQANCHMSA-N 1 0 382.895 4.071 20 0 GIADRO CC(C)Oc1ccc([C@@H](O)C[NH2+][C@H](C)c2cnn(Cc3ccccc3)c2)cc1 ZINC000125512183 823681888 /nfs/dbraw/zinc/68/18/88/823681888.db2.gz TYLCKKYJNKDYIH-JPYJTQIMSA-N 1 0 379.504 4.103 20 0 GIADRO COc1ccc(NC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)cc1Cl ZINC000125513575 823681895 /nfs/dbraw/zinc/68/18/95/823681895.db2.gz YVWOMPMXMRKPKQ-UHFFFAOYSA-N 1 0 388.899 4.053 20 0 GIADRO C[C@H](NC(=O)NC1CC[NH+](C(C)(C)C)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000191410916 823681946 /nfs/dbraw/zinc/68/19/46/823681946.db2.gz XANPDTKSFLATHL-ZDUSSCGKSA-N 1 0 387.446 4.208 20 0 GIADRO Cc1c(C[NH+]2CCSCC2)cccc1NCc1nccn1-c1ccccc1 ZINC000191419001 823683146 /nfs/dbraw/zinc/68/31/46/823683146.db2.gz LNGQLIRLXYKOKS-UHFFFAOYSA-N 1 0 378.545 4.342 20 0 GIADRO Cc1c([C@H](C)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)cnn1C(C)C ZINC000191427012 823684076 /nfs/dbraw/zinc/68/40/76/823684076.db2.gz NPXHAHLIOANQKV-SFHVURJKSA-N 1 0 381.568 4.478 20 0 GIADRO Fc1cccc(Cl)c1CC[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000125546340 823684110 /nfs/dbraw/zinc/68/41/10/823684110.db2.gz XWSGZUNBXDGOCZ-OAHLLOKOSA-N 1 0 376.907 4.219 20 0 GIADRO Cc1nc2cc(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)ccc2n1-c1ccccc1 ZINC000461702843 823684186 /nfs/dbraw/zinc/68/41/86/823684186.db2.gz YJVZIIAKJIJMDB-INIZCTEOSA-N 1 0 378.520 4.040 20 0 GIADRO C[NH+](C)C[C@H]1CCN(Cc2cn(Cc3ccccc3)nc2-c2cccs2)C1 ZINC000125546035 823684157 /nfs/dbraw/zinc/68/41/57/823684157.db2.gz BTNFLOSTIFNGGI-LJQANCHMSA-N 1 0 380.561 4.043 20 0 GIADRO Cc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)cc1C ZINC000063626140 823684677 /nfs/dbraw/zinc/68/46/77/823684677.db2.gz VWMUAEQWBBVOMI-XZOQPEGZSA-N 1 0 396.506 4.180 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3ccc(C)cc3)C2)cc1NC(C)=O ZINC000125553948 823684819 /nfs/dbraw/zinc/68/48/19/823684819.db2.gz NLDTUALCLLREHK-FXAWDEMLSA-N 1 0 381.520 4.282 20 0 GIADRO C[C@H](NC(=O)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1)C(C)(C)C[NH+](C)C ZINC000461710964 823685801 /nfs/dbraw/zinc/68/58/01/823685801.db2.gz JBHLXRRQHMIBBF-GVDBMIGSSA-N 1 0 385.577 4.439 20 0 GIADRO C[C@H](NC(=O)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1)C(C)(C)C[NH+](C)C ZINC000461710962 823685818 /nfs/dbraw/zinc/68/58/18/823685818.db2.gz JBHLXRRQHMIBBF-BBWFWOEESA-N 1 0 385.577 4.439 20 0 GIADRO Cc1c([C@@H](C)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)cnn1C(C)(C)C ZINC000191450675 823686545 /nfs/dbraw/zinc/68/65/45/823686545.db2.gz TVDXBIAWQULBGR-QGZVFWFLSA-N 1 0 384.568 4.324 20 0 GIADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCCCC[C@@H]1c1ccncc1 ZINC000461716807 823686747 /nfs/dbraw/zinc/68/67/47/823686747.db2.gz QDMVNBGQINJXHM-DENIHFKCSA-N 1 0 380.536 4.229 20 0 GIADRO CC(C)Oc1ccc([C@H](C)NC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)cc1 ZINC000125577980 823686769 /nfs/dbraw/zinc/68/67/69/823686769.db2.gz FGHZCYSVVGTQMI-SFHVURJKSA-N 1 0 399.535 4.434 20 0 GIADRO Cc1nc2ccccc2n1CC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000063679183 823688962 /nfs/dbraw/zinc/68/89/62/823688962.db2.gz RKYHLXVNWLNAHY-UHFFFAOYSA-N 1 0 390.531 4.037 20 0 GIADRO COc1ccccc1/C=C(/C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1)c1ccccc1 ZINC000063693804 823689783 /nfs/dbraw/zinc/68/97/83/823689783.db2.gz GNNZDKIYLKJNDO-OGTCDWKQSA-N 1 0 392.543 4.472 20 0 GIADRO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]C[C@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000125632185 823691664 /nfs/dbraw/zinc/69/16/64/823691664.db2.gz SJEQFMWYJWQJPA-SJCJKPOMSA-N 1 0 385.430 4.229 20 0 GIADRO CC(C)(C)[N@@H+]1CCCN(C(=O)COc2ccc(Oc3ccccc3)cc2)CC1 ZINC000063723901 823691732 /nfs/dbraw/zinc/69/17/32/823691732.db2.gz DJWZODDXMLZCRL-UHFFFAOYSA-N 1 0 382.504 4.191 20 0 GIADRO COCCN(C)c1ccc(C[NH2+]C2(c3ccc(F)cc3F)CCCC2)cn1 ZINC000191499406 823691818 /nfs/dbraw/zinc/69/18/18/823691818.db2.gz FMSSZFCYAAYXRT-UHFFFAOYSA-N 1 0 375.463 4.002 20 0 GIADRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2cc(-c3ccncc3)nc3ccccc32)CC1 ZINC000063724958 823691946 /nfs/dbraw/zinc/69/19/46/823691946.db2.gz CWXLVYHRZYUCQC-UHFFFAOYSA-N 1 0 388.515 4.243 20 0 GIADRO Cc1ccc(OCc2ccc(C(=O)N3CCC[N@@H+](C(C)(C)C)CC3)o2)c(C)c1 ZINC000063727827 823692364 /nfs/dbraw/zinc/69/23/64/823692364.db2.gz HSTBFIJWRJMOAR-UHFFFAOYSA-N 1 0 384.520 4.422 20 0 GIADRO CCOc1ccc(NC(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)c(F)c1 ZINC000412913163 823692457 /nfs/dbraw/zinc/69/24/57/823692457.db2.gz SCUMPWWYZHADFC-UHFFFAOYSA-N 1 0 385.483 4.007 20 0 GIADRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)NC[C@H]3CC[C@H](c4ccccc4)O3)C2)CC1 ZINC000461768335 823693558 /nfs/dbraw/zinc/69/35/58/823693558.db2.gz FATPYPLQOHQAHP-MDNUFGMLSA-N 1 0 399.579 4.060 20 0 GIADRO CCCc1c(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)cnn1Cc1ccccc1 ZINC000063757974 823693670 /nfs/dbraw/zinc/69/36/70/823693670.db2.gz NAJGOFVIWXWRLW-FQEVSTJZSA-N 1 0 396.579 4.268 20 0 GIADRO OCc1cccc(C[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)c1 ZINC000191511286 823693837 /nfs/dbraw/zinc/69/38/37/823693837.db2.gz SUXNRSUKPXVQRM-HXUWFJFHSA-N 1 0 390.321 4.199 20 0 GIADRO CCC[N@H+](C)CC(=O)Nc1ccc(OC(F)F)c(-c2ccc(OC)cc2)c1 ZINC000063761661 823693976 /nfs/dbraw/zinc/69/39/76/823693976.db2.gz KZKXGVKHXRHSHE-UHFFFAOYSA-N 1 0 378.419 4.244 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2ccn(-c3cccc(Cl)c3)n2)C1 ZINC000063758620 823693984 /nfs/dbraw/zinc/69/39/84/823693984.db2.gz WTZHBOBISDVGHR-CALCHBBNSA-N 1 0 388.943 4.014 20 0 GIADRO Cc1ccc(CC[N@H+](Cc2ccco2)Cc2cc(=O)n3cccc(C)c3n2)cc1 ZINC000461774277 823694074 /nfs/dbraw/zinc/69/40/74/823694074.db2.gz SFSBCZRCPXXWIN-UHFFFAOYSA-N 1 0 387.483 4.149 20 0 GIADRO CCCn1ccnc1CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)cc1C ZINC000191519546 823694792 /nfs/dbraw/zinc/69/47/92/823694792.db2.gz LWCAPVXFMZLHSG-INIZCTEOSA-N 1 0 376.932 4.147 20 0 GIADRO COc1ccc(C(C)(C)C[NH2+]Cc2cc(=O)oc3cc4c(cc23)CCC4)cc1 ZINC000063774597 823694906 /nfs/dbraw/zinc/69/49/06/823694906.db2.gz ICYJFDNCBUYERG-UHFFFAOYSA-N 1 0 377.484 4.358 20 0 GIADRO COc1ccc(C(C)(C)C[NH2+][C@H](C)C(=O)Nc2cccc3ncccc32)cc1 ZINC000063774531 823694925 /nfs/dbraw/zinc/69/49/25/823694925.db2.gz NPJKTLQENBJNJL-MRXNPFEDSA-N 1 0 377.488 4.138 20 0 GIADRO C[C@@H]1C[C@@H]([NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)CN1C1CC1 ZINC000191523329 823695143 /nfs/dbraw/zinc/69/51/43/823695143.db2.gz KYIQTKMAPRPCER-LXGCGDOSSA-N 1 0 393.369 4.132 20 0 GIADRO COc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCN(C(=O)CCc3ccccc3)C1)CCS2 ZINC000191524863 823695358 /nfs/dbraw/zinc/69/53/58/823695358.db2.gz MAGDQJFOZJLLKL-RXVVDRJESA-N 1 0 396.556 4.055 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)N[C@@H](C)c2noc(-c3ccccc3)n2)cc1)C1CC1 ZINC000125673958 823695647 /nfs/dbraw/zinc/69/56/47/823695647.db2.gz AYKPWOHBJZOJIQ-INIZCTEOSA-N 1 0 390.487 4.212 20 0 GIADRO Cc1ccc(C[NH2+][C@H](C)c2ccc(F)cc2N(C)C)c(-n2cc(Cl)cn2)n1 ZINC000191529491 823695958 /nfs/dbraw/zinc/69/59/58/823695958.db2.gz YPOFCRNHNICJKU-CQSZACIVSA-N 1 0 387.890 4.285 20 0 GIADRO C[NH+](C)CCOc1cccc(CNC(=O)N[C@@H]2CCC(C)(C)c3ccccc32)c1 ZINC000063788313 823696023 /nfs/dbraw/zinc/69/60/23/823696023.db2.gz CKBURNLJTSCHIG-JOCHJYFZSA-N 1 0 395.547 4.239 20 0 GIADRO Cc1ccc(C[NH2+][C@H](C)CC(=O)Nc2ccccc2C)c(-n2cc(Cl)cn2)n1 ZINC000191533159 823696736 /nfs/dbraw/zinc/69/67/36/823696736.db2.gz QFCXTPZCDSRFMD-MRXNPFEDSA-N 1 0 397.910 4.044 20 0 GIADRO FC(F)(F)c1ccc(N2CCC([NH2+][C@H]3Cc4ccc(Cl)cc4C3)CC2)nc1 ZINC000461797614 823696847 /nfs/dbraw/zinc/69/68/47/823696847.db2.gz LGWMMLBNDXLIGK-SFHVURJKSA-N 1 0 395.856 4.480 20 0 GIADRO CC(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccc(C)nc2-n2cc(Cl)cn2)cc1 ZINC000191534756 823696906 /nfs/dbraw/zinc/69/69/06/823696906.db2.gz XWJYPBQWARLNLQ-AWEZNQCLSA-N 1 0 383.883 4.038 20 0 GIADRO Cc1cncc(C[NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)c1 ZINC000191538650 823697583 /nfs/dbraw/zinc/69/75/83/823697583.db2.gz SWPOYWKYZCALJA-IBGZPJMESA-N 1 0 375.310 4.410 20 0 GIADRO CN1CC[NH+](CCCSc2nnc(-c3ccccc3)c3ccccc32)CC1 ZINC000412984839 823697671 /nfs/dbraw/zinc/69/76/71/823697671.db2.gz RDALJGVKYDKXBQ-UHFFFAOYSA-N 1 0 378.545 4.026 20 0 GIADRO Cc1cc(C)c(CNC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)c(C)c1 ZINC000063798828 823697775 /nfs/dbraw/zinc/69/77/75/823697775.db2.gz ZCEBNHBLPUHDAN-UHFFFAOYSA-N 1 0 379.548 4.384 20 0 GIADRO COCCN1CCC([NH2+][C@H](C)c2ccc(OCc3ccccc3)c(OC)c2)CC1 ZINC000461804864 823697850 /nfs/dbraw/zinc/69/78/50/823697850.db2.gz ZJSFNQWNWRLEDO-LJQANCHMSA-N 1 0 398.547 4.036 20 0 GIADRO Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000063804362 823698283 /nfs/dbraw/zinc/69/82/83/823698283.db2.gz XMXQSEHZORENAH-GOSISDBHSA-N 1 0 388.943 4.074 20 0 GIADRO CCOC(=O)c1csc(CC[NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)n1 ZINC000191554242 823699111 /nfs/dbraw/zinc/69/91/11/823699111.db2.gz WTXOOYMIVFUXNP-FQEVSTJZSA-N 1 0 384.476 4.381 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)c2csc(-c3ccccc3F)n2)CC1 ZINC000063827083 823699868 /nfs/dbraw/zinc/69/98/68/823699868.db2.gz ZFUMLRIIENQBMU-UHFFFAOYSA-N 1 0 375.513 4.142 20 0 GIADRO COCC[C@H](Cc1cccc(F)c1)[NH2+][C@@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000191564414 823700268 /nfs/dbraw/zinc/70/02/68/823700268.db2.gz DQLLIZCOHDECHK-HNAYVOBHSA-N 1 0 399.466 4.183 20 0 GIADRO CCOC(=O)c1csc(C2CC[NH+](Cc3cc(F)cc4cccnc43)CC2)n1 ZINC000191564920 823700504 /nfs/dbraw/zinc/70/05/04/823700504.db2.gz GGEWDWWUIUJVGM-UHFFFAOYSA-N 1 0 399.491 4.387 20 0 GIADRO COc1cccc(-c2noc([C@H](C)NC3CC[NH+]([C@@H]4CCC[C@H](C)C4)CC3)n2)c1 ZINC000191565077 823700624 /nfs/dbraw/zinc/70/06/24/823700624.db2.gz QHPXQIOPXPLRPJ-ABSDTBQOSA-N 1 0 398.551 4.439 20 0 GIADRO CCOC(=O)c1csc(CC[NH2+][C@H](C)[C@@H](C)c2nc3ccccc3s2)n1 ZINC000191565855 823700759 /nfs/dbraw/zinc/70/07/59/823700759.db2.gz ODUJGWPEHRIBTG-CHWSQXEVSA-N 1 0 389.546 4.254 20 0 GIADRO CCOC(=O)c1csc(C2CC[NH+](CCc3ccc(F)c(F)c3)CC2)n1 ZINC000191568743 823701324 /nfs/dbraw/zinc/70/13/24/823701324.db2.gz HASSCCMUCRUMBO-UHFFFAOYSA-N 1 0 380.460 4.020 20 0 GIADRO O=C(CC(F)(F)F)N1CCC([NH2+]CC2CCC(c3ccccc3)CC2)CC1 ZINC000574320314 823702086 /nfs/dbraw/zinc/70/20/86/823702086.db2.gz NLVXSRPKMJOBBQ-UHFFFAOYSA-N 1 0 382.470 4.493 20 0 GIADRO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000163335071 823702220 /nfs/dbraw/zinc/70/22/20/823702220.db2.gz RUWYQOZGRZBPNF-KDOFPFPSSA-N 1 0 378.563 4.272 20 0 GIADRO Cc1cc(CC[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)cc(C)c1O ZINC000191573881 823702537 /nfs/dbraw/zinc/70/25/37/823702537.db2.gz RYMOZEVPTOPRLW-UHFFFAOYSA-N 1 0 386.923 4.099 20 0 GIADRO CCOC(=O)c1csc(C2CC[NH+](CCCc3ccccc3OC)CC2)n1 ZINC000191576189 823703120 /nfs/dbraw/zinc/70/31/20/823703120.db2.gz YONGRWQYWMRGSC-UHFFFAOYSA-N 1 0 388.533 4.141 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1)c1ccc(N2CCOC2=O)cc1 ZINC000163362642 823704069 /nfs/dbraw/zinc/70/40/69/823704069.db2.gz BBJGVWIGIVILLC-CRAIPNDOSA-N 1 0 385.895 4.226 20 0 GIADRO C[C@@H]1C[C@@H](CNC(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)[C@H](C)O1 ZINC000413084778 823704738 /nfs/dbraw/zinc/70/47/38/823704738.db2.gz OLTTVOSNHKYAIG-FGSXEWAUSA-N 1 0 395.547 4.028 20 0 GIADRO Cc1ccc([C@H](C[NH2+][C@H](C)c2ccc(Br)cn2)N2CCCC2)o1 ZINC000574340211 823704741 /nfs/dbraw/zinc/70/47/41/823704741.db2.gz MMFQYIBAQPWFOJ-PBHICJAKSA-N 1 0 378.314 4.233 20 0 GIADRO Clc1ccc(-c2noc(CC[NH2+]Cc3conc3Cc3ccccc3)n2)cc1 ZINC000574342034 823705119 /nfs/dbraw/zinc/70/51/19/823705119.db2.gz JLZPCXMNKPRDKB-UHFFFAOYSA-N 1 0 394.862 4.301 20 0 GIADRO CCc1c(NC(=O)N2CC[C@H]([NH+](CC)CC)C2)cnn1-c1ccccc1Cl ZINC000191590636 823705547 /nfs/dbraw/zinc/70/55/47/823705547.db2.gz SPLAVESCDFLTTO-HNNXBMFYSA-N 1 0 389.931 4.036 20 0 GIADRO COc1ccc2oc(CNCC3([NH2+][C@@H](C)c4ccccc4)CCOCC3)cc2c1 ZINC000125766250 823706001 /nfs/dbraw/zinc/70/60/01/823706001.db2.gz HCGSKKKCBJUWPG-SFHVURJKSA-N 1 0 394.515 4.431 20 0 GIADRO CS(=O)(=O)CC1(C[NH2+][C@@H](Cc2ccc(Cl)cc2)c2ccccc2)CCC1 ZINC000574347055 823706091 /nfs/dbraw/zinc/70/60/91/823706091.db2.gz SCUSQEDRYSJFFA-FQEVSTJZSA-N 1 0 391.964 4.428 20 0 GIADRO CC[C@H](CNC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)CC(F)(F)F ZINC000413097171 823706297 /nfs/dbraw/zinc/70/62/97/823706297.db2.gz PEXKVAUTDZPGBB-INIZCTEOSA-N 1 0 385.474 4.237 20 0 GIADRO O=C(C[C@H]1CCC[N@@H+]1C[C@H]1CN(Cc2ccccc2)CCCO1)c1cccs1 ZINC000574350117 823706363 /nfs/dbraw/zinc/70/63/63/823706363.db2.gz ODONECXTJIPVRG-NHCUHLMSSA-N 1 0 398.572 4.076 20 0 GIADRO CC(C)CC(=O)N1CCC([NH2+][C@H]2CCc3cc(Br)ccc32)CC1 ZINC000163417460 823707792 /nfs/dbraw/zinc/70/77/92/823707792.db2.gz KOCGAWHLJYBAKL-SFHVURJKSA-N 1 0 379.342 4.063 20 0 GIADRO COc1ccc(C[C@@H](C)C[NH2+][C@H](C)c2nc(Cc3ccccc3)no2)cc1F ZINC000191597417 823707777 /nfs/dbraw/zinc/70/77/77/823707777.db2.gz LYPKDAHYLOTBLP-HZPDHXFCSA-N 1 0 383.467 4.338 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NCc1ccc(C2CC2)cc1 ZINC000191598744 823708185 /nfs/dbraw/zinc/70/81/85/823708185.db2.gz CPPXWKBJGCAABT-UHFFFAOYSA-N 1 0 392.547 4.407 20 0 GIADRO CN(Cc1nc2ccccc2s1)C[C@@H](O)c1cccc(Br)c1 ZINC000125779606 823708685 /nfs/dbraw/zinc/70/86/85/823708685.db2.gz JEJBCYZASQYIIP-OAHLLOKOSA-N 1 0 377.307 4.224 20 0 GIADRO CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)c1 ZINC000163432901 823708989 /nfs/dbraw/zinc/70/89/89/823708989.db2.gz DFXFTMVSHCVANE-QGZVFWFLSA-N 1 0 391.943 4.025 20 0 GIADRO C[C@H](CNCc1ncn(Cc2cccc(F)c2)n1)c1ccc(C(F)(F)F)cc1 ZINC000574366376 823710437 /nfs/dbraw/zinc/71/04/37/823710437.db2.gz RFVKPPNFLGMEDI-CQSZACIVSA-N 1 0 392.400 4.378 20 0 GIADRO COC(=O)COc1c(C)cc(C[NH2+][C@@H]2CCSc3c(F)cccc32)cc1C ZINC000063913738 823710567 /nfs/dbraw/zinc/71/05/67/823710567.db2.gz QNJWSAKGMXTJQO-GOSISDBHSA-N 1 0 389.492 4.321 20 0 GIADRO COCCCOc1cccc(C[NH2+]Cc2cc(F)cc(Br)c2)c1 ZINC000063915815 823711037 /nfs/dbraw/zinc/71/10/37/823711037.db2.gz MTLWAGOVNOKCIZ-UHFFFAOYSA-N 1 0 382.273 4.293 20 0 GIADRO Cc1c([C@@H](C)[NH2+]CCCOC[C@H]2CCCO2)cnn1-c1cccc(Cl)c1 ZINC000163464913 823712134 /nfs/dbraw/zinc/71/21/34/823712134.db2.gz PZSATRUQNCKGHR-DNVCBOLYSA-N 1 0 377.916 4.070 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]CCCOC[C@@H]1CCCO1 ZINC000163463540 823712252 /nfs/dbraw/zinc/71/22/52/823712252.db2.gz MHZNVJQKQLAPLZ-KSSFIOAISA-N 1 0 378.513 4.494 20 0 GIADRO CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@H](C)C[C@H](C)O ZINC000125795805 823712500 /nfs/dbraw/zinc/71/25/00/823712500.db2.gz PGQNAYVUYVQRKA-CABCVRRESA-N 1 0 394.357 4.255 20 0 GIADRO O=C(CC[NH+]1CCC(c2ccncc2)CC1)Nc1ccc(Br)cc1 ZINC000191613636 823712645 /nfs/dbraw/zinc/71/26/45/823712645.db2.gz MKOPEKNMCPTTFY-UHFFFAOYSA-N 1 0 388.309 4.052 20 0 GIADRO C[C@@H]([NH2+]C[C@H](O)COCc1ccc(Cl)cc1)c1ccc(OC(F)F)cc1 ZINC000125800742 823713766 /nfs/dbraw/zinc/71/37/66/823713766.db2.gz OJGRZXQBYHMIAW-DYVFJYSZSA-N 1 0 385.838 4.170 20 0 GIADRO Cn1cc(C[N@H+](C)CCOc2ccc(C(F)(F)F)cc2)c(-c2ccncc2)n1 ZINC000191616817 823714307 /nfs/dbraw/zinc/71/43/07/823714307.db2.gz KRFIKYBNDJQYDW-UHFFFAOYSA-N 1 0 390.409 4.012 20 0 GIADRO COC[C@H]([NH2+]C1CCN(c2ccc(C)cn2)CC1)c1cccc(C(F)(F)F)c1 ZINC000163505491 823716548 /nfs/dbraw/zinc/71/65/48/823716548.db2.gz MZQVIRJXYIZVQV-IBGZPJMESA-N 1 0 393.453 4.355 20 0 GIADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)CCc1cc(Cl)ccc1Br ZINC000574387902 823716645 /nfs/dbraw/zinc/71/66/45/823716645.db2.gz UPVDCYOHPIBNCU-SUMWQHHRSA-N 1 0 399.760 4.120 20 0 GIADRO Brc1ccc2c(c1)[C@H]([NH2+]CCCOC[C@@H]1CCCO1)CCS2 ZINC000163508037 823716943 /nfs/dbraw/zinc/71/69/43/823716943.db2.gz UGZTYPJUSNJTGD-GOEBONIOSA-N 1 0 386.355 4.161 20 0 GIADRO Cc1nc(CCC(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)oc1-c1ccccc1 ZINC000163510841 823717015 /nfs/dbraw/zinc/71/70/15/823717015.db2.gz UBPNFVAABUVXQY-IBGZPJMESA-N 1 0 383.536 4.067 20 0 GIADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC3(CCOCC3)[C@@H]2c2ccccc2)C1 ZINC000413157685 823717691 /nfs/dbraw/zinc/71/76/91/823717691.db2.gz AAIWUYPGDQFASK-FPOVZHCZSA-N 1 0 399.579 4.060 20 0 GIADRO O=C(NCC1CC[NH+](C2CC2)CC1)Nc1cccc(NC(=O)C2CCCCC2)c1 ZINC000574391468 823717802 /nfs/dbraw/zinc/71/78/02/823717802.db2.gz GIRNXGXFWRMVKW-UHFFFAOYSA-N 1 0 398.551 4.201 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CCN1CCc2ccccc2C1=O ZINC000191628082 823718122 /nfs/dbraw/zinc/71/81/22/823718122.db2.gz BJUNOFSJZLFTTO-INIZCTEOSA-N 1 0 391.540 4.468 20 0 GIADRO COc1cc(OC)c([C@H](C)[NH2+]C2CCN(c3ccc(C)cn3)CC2)cc1Cl ZINC000163526145 823718329 /nfs/dbraw/zinc/71/83/29/823718329.db2.gz UPXLAARQDFYUSX-HNNXBMFYSA-N 1 0 389.927 4.380 20 0 GIADRO C[N@@H+]1CCC[C@H](COC(=O)C2CCOCC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000125819729 823719525 /nfs/dbraw/zinc/71/95/25/823719525.db2.gz MVMYZKXJSXVATD-AEFFLSMTSA-N 1 0 385.426 4.058 20 0 GIADRO COc1ccccc1-c1nc(C2CC[NH+](CCc3ccccc3F)CC2)no1 ZINC000191633979 823720138 /nfs/dbraw/zinc/72/01/38/823720138.db2.gz YVJWFOJSXJJERW-UHFFFAOYSA-N 1 0 381.451 4.306 20 0 GIADRO Brc1cc2cccnc2c(CN2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000163553256 823720870 /nfs/dbraw/zinc/72/08/70/823720870.db2.gz GYDAFDRWMVIGJK-IBGZPJMESA-N 1 0 388.353 4.448 20 0 GIADRO CCc1nc(C)c([C@H](C)[NH2+][C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)s1 ZINC000191644628 823722435 /nfs/dbraw/zinc/72/24/35/823722435.db2.gz UPTIEXNFFMAECA-YVEFUNNKSA-N 1 0 393.503 4.134 20 0 GIADRO CC[NH+](CC)Cc1ccc(CN[C@@H](C)c2nnn(-c3ccc(F)cc3)c2C)cc1 ZINC000163567059 823722755 /nfs/dbraw/zinc/72/27/55/823722755.db2.gz QMBFKZNVUZJPTD-KRWDZBQOSA-N 1 0 395.526 4.407 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)[C@@H]3C[C@H]3c3sccc3C)CC2)cc1 ZINC000163577020 823724178 /nfs/dbraw/zinc/72/41/78/823724178.db2.gz LZXBKLQYCAIHTL-NHCUHLMSSA-N 1 0 398.572 4.197 20 0 GIADRO CC(C)(CO)[C@H]([NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1)c1cccnc1 ZINC000574421318 823725308 /nfs/dbraw/zinc/72/53/08/823725308.db2.gz HHZVQHLOPALLNW-QGZVFWFLSA-N 1 0 386.389 4.011 20 0 GIADRO C[C@@H](NC(=O)c1cccc(C[NH+]2CCCC2)c1)c1ncc(-c2ccccc2)o1 ZINC000125848071 823727676 /nfs/dbraw/zinc/72/76/76/823727676.db2.gz YNUGTVLMRRKPEJ-QGZVFWFLSA-N 1 0 375.472 4.428 20 0 GIADRO CC(C)[C@](C)([NH2+]Cc1cccc(C(N)=O)c1)c1ccc(Br)cc1 ZINC000191667151 823728323 /nfs/dbraw/zinc/72/83/23/823728323.db2.gz BJHGSFHFMFOLLU-IBGZPJMESA-N 1 0 375.310 4.209 20 0 GIADRO COc1cc(C[NH2+]C[C@](C)(O)C2CCCCC2)ccc1OCc1ccncc1 ZINC000191670793 823728865 /nfs/dbraw/zinc/72/88/65/823728865.db2.gz ZBQDJBUFCKRRMM-QHCPKHFHSA-N 1 0 384.520 4.090 20 0 GIADRO COc1ccc(-c2nc(C[N@@H+]3CCCN4c5ccccc5C[C@@H]4C3)cs2)cc1 ZINC000574439261 823730204 /nfs/dbraw/zinc/73/02/04/823730204.db2.gz MRDFMRYMNADGFB-HXUWFJFHSA-N 1 0 391.540 4.456 20 0 GIADRO COC1CCN(CC[NH2+][C@@H](C)c2ccc3ccccc3c2OC(F)F)CC1 ZINC000163636990 823730443 /nfs/dbraw/zinc/73/04/43/823730443.db2.gz CYKIVZPXKCIUNN-HNNXBMFYSA-N 1 0 378.463 4.203 20 0 GIADRO CN(C)C(=O)c1ccc(C[NH2+]CC2(c3cccc(Cl)c3F)CCCC2)[nH]1 ZINC000191680320 823731113 /nfs/dbraw/zinc/73/11/13/823731113.db2.gz FLJHCPCOSXDGOS-UHFFFAOYSA-N 1 0 377.891 4.111 20 0 GIADRO COc1cc(C[NH+]2CCC(Oc3ccc(F)nc3)CC2)c(SC)cc1OC ZINC000191679403 823731239 /nfs/dbraw/zinc/73/12/39/823731239.db2.gz CQSUJLJNNMKSBS-UHFFFAOYSA-N 1 0 392.496 4.003 20 0 GIADRO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[NH2+]C[C@H]1CCOC1 ZINC000163642659 823731510 /nfs/dbraw/zinc/73/15/10/823731510.db2.gz PKGDERFIAHBQSA-QGZVFWFLSA-N 1 0 381.451 4.238 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000163649113 823732526 /nfs/dbraw/zinc/73/25/26/823732526.db2.gz OWBVRISDMZWVAQ-DHIUTWEWSA-N 1 0 395.547 4.248 20 0 GIADRO COCC[N@H+](C)CCCC1CCN(C(=O)Nc2cc(C)ccc2Cl)CC1 ZINC000163665061 823734425 /nfs/dbraw/zinc/73/44/25/823734425.db2.gz FLXVPPLXPISKFO-UHFFFAOYSA-N 1 0 381.948 4.251 20 0 GIADRO CN(C)C(=O)c1ccc(NC(=O)c2cccc(C[NH+]3CCCCC3)c2)cc1Cl ZINC000413239638 823736907 /nfs/dbraw/zinc/73/69/07/823736907.db2.gz JFVWZQWMKJXYBK-UHFFFAOYSA-N 1 0 399.922 4.280 20 0 GIADRO CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000125884114 823737332 /nfs/dbraw/zinc/73/73/32/823737332.db2.gz BWTHOXBKRZLDBN-YGRLFVJLSA-N 1 0 382.348 4.386 20 0 GIADRO COCCN1CCC([NH2+][C@@H](COc2c(C)cccc2C)c2ccccc2)CC1 ZINC000461888483 823739625 /nfs/dbraw/zinc/73/96/25/823739625.db2.gz GVGREIDZVPQHTJ-QHCPKHFHSA-N 1 0 382.548 4.124 20 0 GIADRO CC[NH+](CC)CCSCC(=O)N1CCC[C@H]1c1cccc(Br)c1 ZINC000461889732 823740295 /nfs/dbraw/zinc/74/02/95/823740295.db2.gz XPIJQFZAKHKQQJ-KRWDZBQOSA-N 1 0 399.398 4.188 20 0 GIADRO Cc1cccc([C@H]2CCCN2C(=O)CC[NH+]2CCN(c3cccc(C)c3)CC2)c1 ZINC000461891969 823740638 /nfs/dbraw/zinc/74/06/38/823740638.db2.gz YMNWKDUDOOAEGH-XMMPIXPASA-N 1 0 391.559 4.179 20 0 GIADRO COc1cc2c(cc1F)[nH+]ccc2N1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000461892261 823740742 /nfs/dbraw/zinc/74/07/42/823740742.db2.gz ZJXYUUGOPQYNJI-QHCPKHFHSA-N 1 0 380.463 4.204 20 0 GIADRO CC[C@H](CCc1ccc(Br)cc1)[NH2+][C@@H](C)C(=O)NCc1ccco1 ZINC000461892597 823740812 /nfs/dbraw/zinc/74/08/12/823740812.db2.gz XAZVFOIVKMEIAG-WMLDXEAASA-N 1 0 393.325 4.048 20 0 GIADRO Clc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(CN3CCOCC3)c1)CCS2 ZINC000163715665 823740945 /nfs/dbraw/zinc/74/09/45/823740945.db2.gz JMTNYEUQWKKTAZ-HXUWFJFHSA-N 1 0 388.964 4.499 20 0 GIADRO CC(C)C[NH+]1CCC(NC(=O)c2ccc(N3CCc4ccccc4C3)cc2)CC1 ZINC000064052056 823741064 /nfs/dbraw/zinc/74/10/64/823741064.db2.gz ZIHDAHCSORMMCE-UHFFFAOYSA-N 1 0 391.559 4.100 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)[C@H](C)c1nc2ccccc2s1 ZINC000163722061 823741594 /nfs/dbraw/zinc/74/15/94/823741594.db2.gz RRKHFQCNSMTPEM-ZWKOTPCHSA-N 1 0 395.572 4.410 20 0 GIADRO C[C@@H]([NH2+][C@@H](CN1CCOCC1)c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000163734122 823742511 /nfs/dbraw/zinc/74/25/11/823742511.db2.gz VQRDAUIFAYWBGV-UZLBHIALSA-N 1 0 376.447 4.012 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)Nc2cccnc2C(F)(F)F)C1 ZINC000574482903 823742644 /nfs/dbraw/zinc/74/26/44/823742644.db2.gz XLEQYNRLLPBKCG-UKRRQHHQSA-N 1 0 378.398 4.057 20 0 GIADRO COc1cc(C[NH2+]C[C@@](C)(Cc2ccccc2)[C@H](C)O)cc(Cl)c1OC ZINC000191709918 823743728 /nfs/dbraw/zinc/74/37/28/823743728.db2.gz UIHGVYBHSHIOGV-YCRPNKLZSA-N 1 0 377.912 4.077 20 0 GIADRO COc1ccc(C[NH2+]C[C@](C)(Cc2ccccc2)[C@H](C)O)cc1OC(F)F ZINC000191709953 823743794 /nfs/dbraw/zinc/74/37/94/823743794.db2.gz ZWBGDCKXZIZMEW-BTYIYWSLSA-N 1 0 379.447 4.016 20 0 GIADRO CC[C@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccncc1 ZINC000163772416 823747091 /nfs/dbraw/zinc/74/70/91/823747091.db2.gz CPUZFHIJQMAZQF-UTKZUKDTSA-N 1 0 387.549 4.058 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)Nc2cccc(Cl)c2Br)c1 ZINC000191725458 823748068 /nfs/dbraw/zinc/74/80/68/823748068.db2.gz LOUSVIHXUJLTBY-UHFFFAOYSA-N 1 0 396.716 4.486 20 0 GIADRO COc1cc(Oc2ccccc2)ccc1NC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000574502090 823749955 /nfs/dbraw/zinc/74/99/55/823749955.db2.gz KIIVGSDAGDDBLM-QZTJIDSGSA-N 1 0 395.503 4.341 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCSC3(CCC3)CC2)[C@@H]1c1cccs1 ZINC000413319071 823751427 /nfs/dbraw/zinc/75/14/27/823751427.db2.gz CLLUEIYAJYUHPG-SJLPKXTDSA-N 1 0 393.622 4.202 20 0 GIADRO Cc1ccc(NC(=O)[C@H](C)N2CC[NH+](CC3CCCCC3)CC2)c(Cl)c1 ZINC000064130120 823752958 /nfs/dbraw/zinc/75/29/58/823752958.db2.gz FURYMJTWXBVQOY-KRWDZBQOSA-N 1 0 377.960 4.173 20 0 GIADRO C[C@@H](CN1CCSC[C@@H]1c1cnn(C)c1)c1cccc(Br)c1 ZINC000191746970 823754992 /nfs/dbraw/zinc/75/49/92/823754992.db2.gz LRKRYCRFMHWHGD-SUMWQHHRSA-N 1 0 380.355 4.076 20 0 GIADRO C[C@H]([NH2+]C[C@@H]1CC(=O)N(C)[C@H]1c1nccn1C)c1ccc(C2CCCCC2)cc1 ZINC000574538680 823758760 /nfs/dbraw/zinc/75/87/60/823758760.db2.gz WRXWABBABXYWSP-JWNTYJGQSA-N 1 0 394.563 4.338 20 0 GIADRO CCOc1ccccc1Oc1ccc(C[NH2+][C@@H]2CCCc3c2cnn3C)cn1 ZINC000163910079 823759894 /nfs/dbraw/zinc/75/98/94/823759894.db2.gz BXQSKXOUHFKTCP-GOSISDBHSA-N 1 0 378.476 4.173 20 0 GIADRO O=C(Nc1cc(F)ccc1OCC1CC1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000191766001 823760646 /nfs/dbraw/zinc/76/06/46/823760646.db2.gz AMTSJEQPGJLNFS-OXQOHEQNSA-N 1 0 387.499 4.095 20 0 GIADRO Cc1nc(C(F)(F)F)sc1C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000461931171 823762536 /nfs/dbraw/zinc/76/25/36/823762536.db2.gz LTTNMVXSQZHYBN-TZMCWYRMSA-N 1 0 383.439 4.036 20 0 GIADRO CC(C)n1cccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C(F)(F)F ZINC000163934838 823762606 /nfs/dbraw/zinc/76/26/06/823762606.db2.gz UJJQMWUVJZSLSX-UHFFFAOYSA-N 1 0 394.441 4.092 20 0 GIADRO CCCN(CC[NH+](CC)CC)C(=O)N[C@@H](c1cccc(C)c1)c1ccccn1 ZINC000461932413 823763125 /nfs/dbraw/zinc/76/31/25/823763125.db2.gz CALJOZWETRJXCW-QFIPXVFZSA-N 1 0 382.552 4.243 20 0 GIADRO CS(=O)(=O)C1CCC([NH2+][C@@H](Cc2ccccc2F)c2ccccc2)CC1 ZINC000191773613 823763371 /nfs/dbraw/zinc/76/33/71/823763371.db2.gz HYDGLPDNUJHOTH-GRERDSQWSA-N 1 0 375.509 4.055 20 0 GIADRO O=C(Nc1nnc(-c2cc3ccccc3o2)s1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000191784465 823767235 /nfs/dbraw/zinc/76/72/35/823767235.db2.gz WBJDOARYPUVJAL-OAHLLOKOSA-N 1 0 397.504 4.043 20 0 GIADRO CC(=O)c1c(C)oc2ncnc(NC[C@@H]3CCCC[N@H+](Cc4ccccc4)C3)c21 ZINC000574564875 823768189 /nfs/dbraw/zinc/76/81/89/823768189.db2.gz JDCUSQLSMOMZGV-IBGZPJMESA-N 1 0 392.503 4.448 20 0 GIADRO Cc1cc(NC(=O)N2CC(C)(C)C[C@@H]2c2ccccc2)n(C2CC[NH+](C)CC2)n1 ZINC000574567853 823768857 /nfs/dbraw/zinc/76/88/57/823768857.db2.gz JTJCPZULBYBDNZ-HXUWFJFHSA-N 1 0 395.551 4.463 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@@H](C)c2ccc(NC(N)=O)cc2)cnn1-c1ccc(F)cc1 ZINC000164039952 823772592 /nfs/dbraw/zinc/77/25/92/823772592.db2.gz YWRJSCIUUHJFMC-KBPBESRZSA-N 1 0 381.455 4.222 20 0 GIADRO C[C@H](c1ccccc1C(F)(F)F)[C@H](C)NC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000164060082 823774283 /nfs/dbraw/zinc/77/42/83/823774283.db2.gz KTAAVAGTKZSLGL-JYJNAYRXSA-N 1 0 383.458 4.077 20 0 GIADRO COc1cc([C@@H](C)NC2CC[NH+](C(C)C)CC2)ccc1OCc1ccncc1 ZINC000164066065 823774764 /nfs/dbraw/zinc/77/47/64/823774764.db2.gz WCADYSDLJLZLAE-GOSISDBHSA-N 1 0 383.536 4.193 20 0 GIADRO Cc1c2cccc(Cl)c2[nH]c1C(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000413430900 823776473 /nfs/dbraw/zinc/77/64/73/823776473.db2.gz ACQBGZQQYXYFIS-UHFFFAOYSA-N 1 0 385.895 4.459 20 0 GIADRO Cn1c(COc2ccc(Cl)cc2)nnc1SCCC[NH+]1CCCCC1 ZINC000191807832 823776556 /nfs/dbraw/zinc/77/65/56/823776556.db2.gz IUTRKMZZIMZOSC-UHFFFAOYSA-N 1 0 380.945 4.016 20 0 GIADRO Cc1ccc(CN2CC[C@@H]([NH2+]Cc3cc(Cl)cc4cccnc43)C2=O)cc1 ZINC000191810493 823777451 /nfs/dbraw/zinc/77/74/51/823777451.db2.gz HKOYPUGREKUVDL-HXUWFJFHSA-N 1 0 379.891 4.087 20 0 GIADRO COc1ccc(-c2nc(C[NH2+][C@@H]3[C@@H]4CCCO[C@H]4C3(C)C)cs2)cc1OC ZINC000574604931 823778056 /nfs/dbraw/zinc/77/80/56/823778056.db2.gz SGPACMASNMHWPO-KFKAGJAMSA-N 1 0 388.533 4.121 20 0 GIADRO Cn1cccc1[C@H]1CCCN1C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000064237936 823778234 /nfs/dbraw/zinc/77/82/34/823778234.db2.gz HCXSXWYHMLFANG-HSZRJFAPSA-N 1 0 394.563 4.448 20 0 GIADRO OC[C@H]1C[N@H+](Cc2ccccc2OCc2ccccc2)CC[C@@H]1C(F)(F)F ZINC000574606147 823778910 /nfs/dbraw/zinc/77/89/10/823778910.db2.gz FWQLKJQSRYWKJK-MOPGFXCFSA-N 1 0 379.422 4.258 20 0 GIADRO C[NH+](C)CCN(Cc1c[nH]nc1-c1ccc(F)cc1)Cc1ccc(F)c(F)c1 ZINC000574607918 823779622 /nfs/dbraw/zinc/77/96/22/823779622.db2.gz WQXIALQHCIXOKK-UHFFFAOYSA-N 1 0 388.437 4.058 20 0 GIADRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)N(Cc1ccccc1)C1CC1 ZINC000064251270 823780409 /nfs/dbraw/zinc/78/04/09/823780409.db2.gz MVDQGAYOYFCCCY-UHFFFAOYSA-N 1 0 383.561 4.334 20 0 GIADRO COc1ccc(C[C@](C)(O)C[NH2+]C2c3ccccc3-c3ccccc32)cc1OC ZINC000574610751 823780599 /nfs/dbraw/zinc/78/05/99/823780599.db2.gz CHQCTGJAOCUNLN-VWLOTQADSA-N 1 0 389.495 4.357 20 0 GIADRO COc1cc([C@H](C)[NH2+]CC(C)(C)c2ccccc2Cl)ccc1S(C)(=O)=O ZINC000164134801 823780623 /nfs/dbraw/zinc/78/06/23/823780623.db2.gz NEUKFXXUBFXEOJ-AWEZNQCLSA-N 1 0 395.952 4.381 20 0 GIADRO N#Cc1ccc(Br)c(CN[C@@H](C[NH+]2CCCC2)c2ccccc2)c1 ZINC000191820351 823781725 /nfs/dbraw/zinc/78/17/25/823781725.db2.gz AJCHMZSWOZQZPW-FQEVSTJZSA-N 1 0 384.321 4.247 20 0 GIADRO CC[C@H](c1ccncc1)N(C)C(=O)NCC1CC[NH+](Cc2ccccc2F)CC1 ZINC000126083710 823782830 /nfs/dbraw/zinc/78/28/30/823782830.db2.gz OZFJFLCEURSWJC-JOCHJYFZSA-N 1 0 398.526 4.225 20 0 GIADRO COC(=O)[C@H]1CC[N@H+](CCSc2ccnc3cc(Cl)ccc32)C[C@H]1C ZINC000191823941 823784256 /nfs/dbraw/zinc/78/42/56/823784256.db2.gz DCQZTQYOTNBAGL-HIFRSBDPSA-N 1 0 378.925 4.111 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCCc2ccc3[nH]ccc3c2)CC1 ZINC000574630026 823786200 /nfs/dbraw/zinc/78/62/00/823786200.db2.gz CMBAFTVXCKVMFU-SFHVURJKSA-N 1 0 390.531 4.235 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)c1cccc(Br)c1)c1ccco1 ZINC000461991885 823786551 /nfs/dbraw/zinc/78/65/51/823786551.db2.gz ZVWVCEGIWSBPQZ-WMLDXEAASA-N 1 0 393.325 4.345 20 0 GIADRO COC(=O)c1coc([C@H](C)[NH2+]C[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)c1 ZINC000574634243 823786866 /nfs/dbraw/zinc/78/68/66/823786866.db2.gz SBWLTNQCPGPYQU-LRDDRELGSA-N 1 0 384.398 4.039 20 0 GIADRO Cc1ccc([C@H]2CCCN2C(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)s1 ZINC000164234859 823788026 /nfs/dbraw/zinc/78/80/26/823788026.db2.gz FNAKWBHNIFVYDX-OAQYLSRUSA-N 1 0 398.572 4.238 20 0 GIADRO COc1ccc(Nc2nc(C(=O)Nc3ccc(CC[NH+](C)C)cc3)cs2)cc1 ZINC000461995942 823788140 /nfs/dbraw/zinc/78/81/40/823788140.db2.gz OLGJAFAGWHRBRC-UHFFFAOYSA-N 1 0 396.516 4.252 20 0 GIADRO CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000413504271 823788546 /nfs/dbraw/zinc/78/85/46/823788546.db2.gz NKCDOUATWYUCRF-BHUNQDJPSA-N 1 0 389.506 4.306 20 0 GIADRO CCC[NH+](CCC)CCCNC(=O)N[C@H]1CCCc2cn(C3CCCC3)nc21 ZINC000461996594 823788704 /nfs/dbraw/zinc/78/87/04/823788704.db2.gz IVXWMWKGCBWELW-FQEVSTJZSA-N 1 0 389.588 4.187 20 0 GIADRO C[C@H]1CCC[C@](CNC(=O)c2[nH]c3ccccc3c2Br)([NH+](C)C)C1 ZINC000064309606 823789040 /nfs/dbraw/zinc/78/90/40/823789040.db2.gz NMIKRKMFMAXAHN-DJJJIMSYSA-N 1 0 392.341 4.171 20 0 GIADRO CCCCN(C(=O)c1cccc(-c2n[nH]c(C)n2)c1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000462000395 823789540 /nfs/dbraw/zinc/78/95/40/823789540.db2.gz BAFSAJCUSMZFMZ-UHFFFAOYSA-N 1 0 397.567 4.332 20 0 GIADRO CC[C@@H]([NH2+][C@@H](CCSC)c1nnc2ccccn21)c1ccc2c(c1)CCO2 ZINC000164252571 823790490 /nfs/dbraw/zinc/79/04/90/823790490.db2.gz OEUQMHGSQIOMHZ-MSOLQXFVSA-N 1 0 382.533 4.199 20 0 GIADRO CCc1nn(C)cc1C[NH+]1CCC(c2nc(-c3ccccc3OC)cs2)CC1 ZINC000191836023 823791460 /nfs/dbraw/zinc/79/14/60/823791460.db2.gz AAWWKMUIZCAHIO-UHFFFAOYSA-N 1 0 396.560 4.494 20 0 GIADRO O=C(NC1CC([NH+]2CCCCC2)C1)N[C@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000413523820 823791626 /nfs/dbraw/zinc/79/16/26/823791626.db2.gz YRQHXMGJOYFKJG-YUKKFIBKSA-N 1 0 375.944 4.292 20 0 GIADRO FC(F)(F)COc1ccc(CC[NH2+][C@H](c2ncc[nH]2)C2CCCCC2)cn1 ZINC000574659755 823793479 /nfs/dbraw/zinc/79/34/79/823793479.db2.gz SINIMZFSQDYYNZ-KRWDZBQOSA-N 1 0 382.430 4.200 20 0 GIADRO O=C(C[NH2+]C1(c2ccccc2)CCC1)Nc1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000064337733 823795722 /nfs/dbraw/zinc/79/57/22/823795722.db2.gz BWURXOQYEZXASB-UHFFFAOYSA-N 1 0 388.393 4.189 20 0 GIADRO C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]Cc1nccn1CCCc1ccccc1 ZINC000164324440 823796021 /nfs/dbraw/zinc/79/60/21/823796021.db2.gz QYJNXWWIASTNEQ-GOSISDBHSA-N 1 0 394.494 4.162 20 0 GIADRO Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)N1CC[NH+](CCc2cccs2)CC1 ZINC000064352078 823799265 /nfs/dbraw/zinc/79/92/65/823799265.db2.gz YVQXHDHRBDCWPC-LJQANCHMSA-N 1 0 399.604 4.367 20 0 GIADRO CC(C)(C)c1n[nH]cc1CNc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000126151127 823800435 /nfs/dbraw/zinc/80/04/35/823800435.db2.gz WLEZPBXRSDNNJH-UHFFFAOYSA-N 1 0 383.540 4.134 20 0 GIADRO CCC[NH+]1CCC(CNC(=O)C[C@@H](C)c2ccc(F)c(Br)c2)CC1 ZINC000462027302 823801232 /nfs/dbraw/zinc/80/12/32/823801232.db2.gz RNBCYHQYIJCRJI-CQSZACIVSA-N 1 0 399.348 4.320 20 0 GIADRO COc1ccc(OC)c(CNc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)c1 ZINC000126168425 823804119 /nfs/dbraw/zinc/80/41/19/823804119.db2.gz WHNQRGVWLYESJG-UHFFFAOYSA-N 1 0 397.519 4.130 20 0 GIADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cc(-c3ccccc3C(F)(F)F)on2)C1 ZINC000462033987 823804404 /nfs/dbraw/zinc/80/44/04/823804404.db2.gz QKIQGJKXQNIXOI-CQSZACIVSA-N 1 0 395.425 4.211 20 0 GIADRO O=C(N[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1)NC1CC[NH+](C2CCC2)CC1 ZINC000413620545 823804604 /nfs/dbraw/zinc/80/46/04/823804604.db2.gz XJZCFEYQBIAPTD-QFBILLFUSA-N 1 0 375.944 4.292 20 0 GIADRO Cc1nc(-c2ccc(CC[NH2+]C3CCN(Cc4cccnc4)CC3)s2)cs1 ZINC000164482801 823804819 /nfs/dbraw/zinc/80/48/19/823804819.db2.gz NAAHYZGHSBWZFL-UHFFFAOYSA-N 1 0 398.601 4.372 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)c2ccccc2C(=O)c2cccs2)CC1 ZINC000064381775 823805727 /nfs/dbraw/zinc/80/57/27/823805727.db2.gz KPNZLLTUYRQZML-UHFFFAOYSA-N 1 0 384.545 4.172 20 0 GIADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)N[C@H](c3c(Cl)cccc3Cl)C3CC3)[C@H]2C1 ZINC000462038182 823806397 /nfs/dbraw/zinc/80/63/97/823806397.db2.gz FITSAZQLXQFRAY-PUECVXPYSA-N 1 0 382.335 4.180 20 0 GIADRO Cc1nc(C(F)(F)F)sc1C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000462040417 823807695 /nfs/dbraw/zinc/80/76/95/823807695.db2.gz NBJZMTOQRNVRNL-AWEZNQCLSA-N 1 0 389.487 4.054 20 0 GIADRO CCCOc1c(Cl)cc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1OCC ZINC000164535303 823807776 /nfs/dbraw/zinc/80/77/76/823807776.db2.gz VMAXCCJPIBGDAF-YJBOKZPZSA-N 1 0 394.943 4.084 20 0 GIADRO CC(C)CN(C(=O)NC1CCC(C[NH+](C)C)CC1)[C@@H]1CCCc2cccnc21 ZINC000164593147 823810874 /nfs/dbraw/zinc/81/08/74/823810874.db2.gz QLXQNXAVGLYVKC-DQVLVPHSSA-N 1 0 386.584 4.247 20 0 GIADRO Cc1c2cc(Br)ccc2oc1C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000164605640 823811489 /nfs/dbraw/zinc/81/14/89/823811489.db2.gz COSFEHYTMUSKTE-CJNGLKHVSA-N 1 0 391.309 4.060 20 0 GIADRO C[C@@H](C(=O)Nc1ccccc1Sc1ccccc1)N1CC[NH+](CC2CC2)CC1 ZINC000126203794 823811570 /nfs/dbraw/zinc/81/15/70/823811570.db2.gz OCPLUEQRGZEOPT-SFHVURJKSA-N 1 0 395.572 4.192 20 0 GIADRO CN(C(=O)N[C@@H](c1c(Cl)cccc1Cl)C1CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000462050834 823812487 /nfs/dbraw/zinc/81/24/87/823812487.db2.gz BVMLIJAMVNZKCE-KBXCAEBGSA-N 1 0 382.335 4.323 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(N2CCCC2=O)c1)c1cccc(Cl)c1 ZINC000126212006 823813094 /nfs/dbraw/zinc/81/30/94/823813094.db2.gz DWPOGNQTDHPFIU-CABCVRRESA-N 1 0 385.895 4.145 20 0 GIADRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)N[C@@H]1CCc2sc(Cl)cc21 ZINC000462051848 823813334 /nfs/dbraw/zinc/81/33/34/823813334.db2.gz PHOGLBZJYPDDQY-MRXNPFEDSA-N 1 0 395.931 4.301 20 0 GIADRO COc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000064412329 823813739 /nfs/dbraw/zinc/81/37/39/823813739.db2.gz ANQAXSXFQSZUQZ-UHFFFAOYSA-N 1 0 395.425 4.310 20 0 GIADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000164647292 823814257 /nfs/dbraw/zinc/81/42/57/823814257.db2.gz NSAXUJIMWINLGM-GFCCVEGCSA-N 1 0 375.847 4.041 20 0 GIADRO O[C@@H]1CCC[C@@H]1[NH+]1CCC(N[C@H]2CCCOc3c(Cl)c(Cl)ccc32)CC1 ZINC000574743937 823816149 /nfs/dbraw/zinc/81/61/49/823816149.db2.gz HAWKVTQBDIIUHC-OKZBNKHCSA-N 1 0 399.362 4.175 20 0 GIADRO O=C(NCc1ccnc(Oc2ccccc2F)c1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000574742940 823816203 /nfs/dbraw/zinc/81/62/03/823816203.db2.gz AOJQKXVGNNGLMG-IBGZPJMESA-N 1 0 383.467 4.036 20 0 GIADRO Cc1cccc(N2CC[NH+](CCC(=O)N[C@H](C)c3cc4ccccc4o3)CC2)c1 ZINC000462060574 823816430 /nfs/dbraw/zinc/81/64/30/823816430.db2.gz RXFNZHVXUKNKNC-LJQANCHMSA-N 1 0 391.515 4.131 20 0 GIADRO CC[NH+](CC)CCSCC(=O)Nc1ccc(-n2cnc3ccccc32)cc1 ZINC000462061198 823816792 /nfs/dbraw/zinc/81/67/92/823816792.db2.gz UKGRDNORPXOYHT-UHFFFAOYSA-N 1 0 382.533 4.039 20 0 GIADRO CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]Cc1nc2ccccc2n1C1CC1 ZINC000462066588 823818165 /nfs/dbraw/zinc/81/81/65/823818165.db2.gz JIUDIVIKCMNNCE-QGZVFWFLSA-N 1 0 379.504 4.499 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)N(C)CCCc2nc3ccccc3[nH]2)cc1 ZINC000064445574 823820394 /nfs/dbraw/zinc/82/03/94/823820394.db2.gz VQNAPENMRXEYIT-UHFFFAOYSA-N 1 0 378.520 4.110 20 0 GIADRO CC(=O)N(c1nc(CN2CCC([NH+](C)C)CC2)cs1)c1cccc(Cl)c1 ZINC000164807386 823820591 /nfs/dbraw/zinc/82/05/91/823820591.db2.gz PBVNEKVLVYTPIO-UHFFFAOYSA-N 1 0 392.956 4.007 20 0 GIADRO CCn1cc(CC(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)c2ccccc21 ZINC000574766467 823821423 /nfs/dbraw/zinc/82/14/23/823821423.db2.gz PBCALSYICYWPJY-UHFFFAOYSA-N 1 0 375.394 4.320 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)Nc2cc(-c3ccccc3C)nn2C)c1 ZINC000462082047 823822523 /nfs/dbraw/zinc/82/25/23/823822523.db2.gz VIGOKROGSJNGPJ-UHFFFAOYSA-N 1 0 391.519 4.169 20 0 GIADRO COc1cc([C@H](C)[NH2+]CC(C)(C)c2ccc(C)cc2)ccc1S(C)(=O)=O ZINC000164852088 823822634 /nfs/dbraw/zinc/82/26/34/823822634.db2.gz DRMXBJWYMYLCLG-INIZCTEOSA-N 1 0 375.534 4.036 20 0 GIADRO CC1(C(=O)N2CCO[C@](C)(c3ccccc3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000164862792 823823105 /nfs/dbraw/zinc/82/31/05/823823105.db2.gz CHIRFGBPOGICJU-VWLOTQADSA-N 1 0 392.543 4.063 20 0 GIADRO Cc1cc(C)c(-c2csc(NC(=O)C[N@H+](C[C@@H]3CCOC3)C3CC3)n2)c(C)c1 ZINC000164866378 823823668 /nfs/dbraw/zinc/82/36/68/823823668.db2.gz QWDQNEJEYFVKNS-KRWDZBQOSA-N 1 0 399.560 4.175 20 0 GIADRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3cc4cc(OC)ccc4o3)ccc2NC1=O ZINC000126261662 823823552 /nfs/dbraw/zinc/82/35/52/823823552.db2.gz JXCWNSFFDPIFSW-YJYMSZOUSA-N 1 0 380.444 4.402 20 0 GIADRO O=C1CCCCN1C1CCN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)CC1 ZINC000126262763 823824096 /nfs/dbraw/zinc/82/40/96/823824096.db2.gz NVGGCKZWKFTNTG-UHFFFAOYSA-N 1 0 377.410 4.235 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(OCC(F)(F)F)cc2)CC1)C1CCCCC1 ZINC000126270702 823825676 /nfs/dbraw/zinc/82/56/76/823825676.db2.gz QTZVIQYSFDTCHQ-UHFFFAOYSA-N 1 0 398.469 4.289 20 0 GIADRO C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CCC(=O)Nc1ccccc1 ZINC000164949828 823826234 /nfs/dbraw/zinc/82/62/34/823826234.db2.gz FNQLVYVLKNPQSI-AWEZNQCLSA-N 1 0 393.409 4.041 20 0 GIADRO Cc1csc(N2CCC([NH2+]C[C@H]3CCCN(C)[C@@H]3c3cccs3)CC2)n1 ZINC000164958561 823826661 /nfs/dbraw/zinc/82/66/61/823826661.db2.gz WCYUYICBMSBLSH-APWZRJJASA-N 1 0 390.622 4.155 20 0 GIADRO O=C(N[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000413732605 823827546 /nfs/dbraw/zinc/82/75/46/823827546.db2.gz ZWYJGKBKAVOKGB-IMFGXOCKSA-N 1 0 375.944 4.103 20 0 GIADRO O=C(N[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000413732607 823827574 /nfs/dbraw/zinc/82/75/74/823827574.db2.gz ZWYJGKBKAVOKGB-XKGZKEIXSA-N 1 0 375.944 4.103 20 0 GIADRO Cc1cc(-c2cccc(F)c2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000462101447 823828190 /nfs/dbraw/zinc/82/81/90/823828190.db2.gz XYZXAPNVVBIZMW-UHFFFAOYSA-N 1 0 376.479 4.303 20 0 GIADRO C[C@H]([NH2+]C[C@@H]1CCCN(C)[C@@H]1c1cccs1)c1ccc([S@](C)=O)cc1 ZINC000164988662 823828456 /nfs/dbraw/zinc/82/84/56/823828456.db2.gz RZTCXKZXVKATIC-FLMDEPPBSA-N 1 0 376.591 4.219 20 0 GIADRO CC[C@H]([NH2+]Cc1cccc(C(=O)NCc2ccco2)c1)c1cccc(OC)c1 ZINC000164987881 823828628 /nfs/dbraw/zinc/82/86/28/823828628.db2.gz CDMJJJMDMNKTCK-QFIPXVFZSA-N 1 0 378.472 4.459 20 0 GIADRO CC[C@H](C)n1ncc(C(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)c1C1CC1 ZINC000126282849 823829087 /nfs/dbraw/zinc/82/90/87/823829087.db2.gz CDJKDTYKVIJVNH-KRWDZBQOSA-N 1 0 395.551 4.115 20 0 GIADRO C[C@H](C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1)c1cc2ccccc2o1 ZINC000126285020 823830284 /nfs/dbraw/zinc/83/02/84/823830284.db2.gz GSNDBDBYEYIVEA-KRWDZBQOSA-N 1 0 377.488 4.306 20 0 GIADRO Cc1csc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1Br ZINC000191982041 823830860 /nfs/dbraw/zinc/83/08/60/823830860.db2.gz NDKCNJOIIAQXPV-UHFFFAOYSA-N 1 0 393.350 4.213 20 0 GIADRO CC(C)[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000462111325 823831259 /nfs/dbraw/zinc/83/12/59/823831259.db2.gz JBUDSKMYXODJMI-UYAOXDASSA-N 1 0 378.944 4.220 20 0 GIADRO C[C@H](NC(=O)NOCc1ccc(C(F)(F)F)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000165111078 823834783 /nfs/dbraw/zinc/83/47/83/823834783.db2.gz PHXGDBHYVPRCAJ-GOEBONIOSA-N 1 0 399.457 4.089 20 0 GIADRO C[NH+]1CCC(Oc2ccc(NC(=O)CC3CC(c4ccccc4)C3)cn2)CC1 ZINC000462123095 823836514 /nfs/dbraw/zinc/83/65/14/823836514.db2.gz VKPANGQPBUCUJE-UHFFFAOYSA-N 1 0 379.504 4.077 20 0 GIADRO COc1ccc2oc(C[NH2+]CCC(=O)Nc3cc(Cl)ccc3OC)cc2c1 ZINC000126313713 823837496 /nfs/dbraw/zinc/83/74/96/823837496.db2.gz DBWBMNRPUKJDMR-UHFFFAOYSA-N 1 0 388.851 4.222 20 0 GIADRO CCN(C(=O)NC1CCC(COC)CC1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000413766516 823837502 /nfs/dbraw/zinc/83/75/02/823837502.db2.gz FLHKPJRVFQHFGF-PZKJRENSSA-N 1 0 387.568 4.059 20 0 GIADRO C[C@H]1[C@H](NC(=O)Nc2ccc3oc(C4CC4)nc3c2)CC[N@@H+]1Cc1ccccc1 ZINC000574835822 823837816 /nfs/dbraw/zinc/83/78/16/823837816.db2.gz NAWJBYIPPYYKKU-HNAYVOBHSA-N 1 0 390.487 4.490 20 0 GIADRO CCCOc1ncccc1CNC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000064532260 823837878 /nfs/dbraw/zinc/83/78/78/823837878.db2.gz WARWIIBXSOEIRV-UHFFFAOYSA-N 1 0 396.535 4.221 20 0 GIADRO CCC(C)(C)c1ccc(NC(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000574836420 823838114 /nfs/dbraw/zinc/83/81/14/823838114.db2.gz PEQVVHZUMRGAHH-NRFANRHFSA-N 1 0 386.584 4.006 20 0 GIADRO Cc1cc(Cl)ccc1NC(=O)C[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000192031673 823838453 /nfs/dbraw/zinc/83/84/53/823838453.db2.gz WOKVBAMQCZRPKL-HKUYNNGSSA-N 1 0 379.287 4.360 20 0 GIADRO CNC(=O)COc1cccc(C[NH2+]Cc2ccc(-c3ccc(C)cc3)s2)c1 ZINC000165193307 823839069 /nfs/dbraw/zinc/83/90/69/823839069.db2.gz AZFKAHNSESWNLA-UHFFFAOYSA-N 1 0 380.513 4.138 20 0 GIADRO CC[NH+](CC)[C@H](CNc1cnn(C(C)(C)C)c(=O)c1Cl)c1ccsc1 ZINC000064537932 823839246 /nfs/dbraw/zinc/83/92/46/823839246.db2.gz NFWCWZWBUDSOIT-OAHLLOKOSA-N 1 0 382.961 4.208 20 0 GIADRO Cc1nccn1-c1ccc(C[NH2+][C@H](C)c2ccc(F)c(Br)c2)cn1 ZINC000126320321 823839395 /nfs/dbraw/zinc/83/93/95/823839395.db2.gz DAIICKALVPXYPS-GFCCVEGCSA-N 1 0 389.272 4.328 20 0 GIADRO CCCC[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1)C(=O)Nc1cc(C)on1 ZINC000192037785 823839957 /nfs/dbraw/zinc/83/99/57/823839957.db2.gz PNHKJPPDCWHNSN-JENIJYKNSA-N 1 0 391.899 4.254 20 0 GIADRO CSc1cccc(NC(=O)C[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)c1 ZINC000192038165 823839994 /nfs/dbraw/zinc/83/99/94/823839994.db2.gz NRMULGUCKJNNTB-IEBWSBKVSA-N 1 0 376.909 4.120 20 0 GIADRO Cc1cccc(C(=O)NCC[NH+](C(C)C)C(C)C)c1NC(=O)c1ccccc1F ZINC000126324526 823840405 /nfs/dbraw/zinc/84/04/05/823840405.db2.gz KDGNOAOZZXLNSS-UHFFFAOYSA-N 1 0 399.510 4.235 20 0 GIADRO Cc1nc(-c2cccc(NC(=O)N[C@@H]3CC[N@@H+]([C@@H](C)c4ccccc4)C3)c2)no1 ZINC000064544430 823840583 /nfs/dbraw/zinc/84/05/83/823840583.db2.gz XVFQRHKIEFTEMQ-MGPUTAFESA-N 1 0 391.475 4.002 20 0 GIADRO CCCNC(=O)[C@H]1CCC[N@H+](Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000165228183 823840986 /nfs/dbraw/zinc/84/09/86/823840986.db2.gz KDGSLDXOGHSHFL-HNNXBMFYSA-N 1 0 395.425 4.099 20 0 GIADRO Brc1cccc2[nH]cc(CC[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)c21 ZINC000574846767 823841220 /nfs/dbraw/zinc/84/12/20/823841220.db2.gz ASLBLDHMTPLZMG-VHSSKADRSA-N 1 0 375.310 4.020 20 0 GIADRO COC[C@]1(C[NH2+]Cc2csc(-c3cccs3)n2)OCCc2ccccc21 ZINC000574847822 823841229 /nfs/dbraw/zinc/84/12/29/823841229.db2.gz WQDGCSKUNJURPQ-FQEVSTJZSA-N 1 0 386.542 4.076 20 0 GIADRO CC(C)CCOc1cccc(NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000064547134 823841388 /nfs/dbraw/zinc/84/13/88/823841388.db2.gz REERHCLXCNREEF-UHFFFAOYSA-N 1 0 396.535 4.293 20 0 GIADRO COc1ccc(Cl)c(NC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000064548272 823841977 /nfs/dbraw/zinc/84/19/77/823841977.db2.gz RHDGHOMNAJHKHY-UHFFFAOYSA-N 1 0 379.932 4.469 20 0 GIADRO Cc1cccc(Cl)c1NC(=O)C[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000192044106 823842552 /nfs/dbraw/zinc/84/25/52/823842552.db2.gz WWMXTEPEUXMJIP-VQIMIIECSA-N 1 0 379.287 4.360 20 0 GIADRO CCOc1ccccc1NC(=O)[C@H](C)[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000192046159 823843438 /nfs/dbraw/zinc/84/34/38/823843438.db2.gz YRKRMNXFNMJFIQ-ADLFWFRXSA-N 1 0 388.895 4.186 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)Nc2ccc3c(c2)CCCN3C)C1 ZINC000064561324 823844913 /nfs/dbraw/zinc/84/49/13/823844913.db2.gz RHBGNMRKGHHHFX-DYESRHJHSA-N 1 0 378.520 4.026 20 0 GIADRO CN1CCCc2cc(NC(=O)NCC3CC[NH+](Cc4ccccc4)CC3)ccc21 ZINC000064561279 823844958 /nfs/dbraw/zinc/84/49/58/823844958.db2.gz AYNJUWZIQVXNGC-UHFFFAOYSA-N 1 0 392.547 4.103 20 0 GIADRO CS(=O)(=O)c1cc(C[NH2+][C@@H]2CCCc3ccccc32)cc(C(F)(F)F)c1 ZINC000574863048 823846064 /nfs/dbraw/zinc/84/60/64/823846064.db2.gz CNSQJKSADNCNJU-GOSISDBHSA-N 1 0 383.435 4.276 20 0 GIADRO CCC1(CC)NC(=O)N(Cc2ccccc2-c2ccc(C[NH+](C)C)cc2)C1=O ZINC000574864725 823846634 /nfs/dbraw/zinc/84/66/34/823846634.db2.gz WQQVOQHBANFZNG-UHFFFAOYSA-N 1 0 379.504 4.026 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1ccccc1C(F)(F)F ZINC000126352981 823846881 /nfs/dbraw/zinc/84/68/81/823846881.db2.gz PLLQTRNEVWELPC-UHFFFAOYSA-N 1 0 377.410 4.089 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2ccc3oc(N(C)C)nc3c2)C1 ZINC000165387268 823847010 /nfs/dbraw/zinc/84/70/10/823847010.db2.gz QFTYBBZDFIRGQK-SJORKVTESA-N 1 0 399.539 4.012 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(NC(N)=O)cc1)c1ccc(F)cc1Br ZINC000165416989 823848081 /nfs/dbraw/zinc/84/80/81/823848081.db2.gz NJFIXVJVDFVVAS-WDEREUQCSA-N 1 0 380.261 4.491 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)CC1CCC(C(F)(F)F)CC1 ZINC000462157388 823848323 /nfs/dbraw/zinc/84/83/23/823848323.db2.gz GQSRSFSRILMORM-JVDULTGUSA-N 1 0 382.470 4.382 20 0 GIADRO COc1ccc(-c2nc(C[N@@H+]3CC[C@@H](c4cccnc4)C3)cs2)c(OC)c1 ZINC000574873428 823849070 /nfs/dbraw/zinc/84/90/70/823849070.db2.gz BFLULRGYIVSOPH-MRXNPFEDSA-N 1 0 381.501 4.212 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)NCc1ccc2sccc2c1 ZINC000462162506 823849829 /nfs/dbraw/zinc/84/98/29/823849829.db2.gz GNVNJPGHGWRWGA-UHFFFAOYSA-N 1 0 394.544 4.354 20 0 GIADRO C[C@@H](O)[C@@H]([NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1)c1ccccc1F ZINC000574881892 823850023 /nfs/dbraw/zinc/85/00/23/823850023.db2.gz RNPUEXQNRBEPPX-SPLOXXLWSA-N 1 0 394.893 4.294 20 0 GIADRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1nc2ccccc2s1 ZINC000165476718 823850410 /nfs/dbraw/zinc/85/04/10/823850410.db2.gz CARRWSYVINAAKJ-UHFFFAOYSA-N 1 0 383.542 4.406 20 0 GIADRO COc1ccc2c(c1)C[N@@H+](C[C@@H]1CC3(CCC3)C(=O)O1)[C@@H](c1ccccc1)C2 ZINC000192071212 823850425 /nfs/dbraw/zinc/85/04/25/823850425.db2.gz VIZOOQHKWYHODG-FCHUYYIVSA-N 1 0 377.484 4.280 20 0 GIADRO O=C1O[C@@H](C[NH+]2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)CC12CCC2 ZINC000192072696 823851116 /nfs/dbraw/zinc/85/11/16/823851116.db2.gz MKHVBLNABXRTDN-MRXNPFEDSA-N 1 0 398.330 4.460 20 0 GIADRO CC[C@H](CC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(OC)cc1 ZINC000126374572 823851309 /nfs/dbraw/zinc/85/13/09/823851309.db2.gz QMCKVXBFLORPLX-HXUWFJFHSA-N 1 0 395.547 4.349 20 0 GIADRO CC[C@H](C[NH2+][C@@H](C)CC(=O)Nc1cccnc1Cl)Oc1cccc(F)c1 ZINC000165517096 823851899 /nfs/dbraw/zinc/85/18/99/823851899.db2.gz SMVJHUBOXUOXMK-DZGCQCFKSA-N 1 0 379.863 4.038 20 0 GIADRO Cn1ncc2c1CCC[C@H]2[NH2+]Cc1ccccc1-c1ccc(Cn2ccnc2)cc1 ZINC000165581536 823854407 /nfs/dbraw/zinc/85/44/07/823854407.db2.gz QKZABIUZKBNNMT-XMMPIXPASA-N 1 0 397.526 4.499 20 0 GIADRO COc1cc([C@H](C)[NH2+]CCc2ccc(NC(C)=O)cc2)ccc1OC(F)F ZINC000165609732 823855368 /nfs/dbraw/zinc/85/53/68/823855368.db2.gz ZWLOISKEYUMXML-ZDUSSCGKSA-N 1 0 378.419 4.148 20 0 GIADRO COc1ccc(C[N@H+](CCCS(=O)(=O)c2ccccc2)[C@H](C)C2CC2)cc1 ZINC000064641741 823856176 /nfs/dbraw/zinc/85/61/76/823856176.db2.gz LPJZOTVQBNOJGG-GOSISDBHSA-N 1 0 387.545 4.160 20 0 GIADRO CC(=O)Nc1ccc(CC[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000165650048 823856757 /nfs/dbraw/zinc/85/67/57/823856757.db2.gz UKVWDRGXLDSIBA-UHFFFAOYSA-N 1 0 385.939 4.095 20 0 GIADRO CC(C)[C@@H]1CCCN1C(=O)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000064646280 823857590 /nfs/dbraw/zinc/85/75/90/823857590.db2.gz WCHUTZMIFFARHY-NRFANRHFSA-N 1 0 385.552 4.037 20 0 GIADRO C[C@@H](Sc1nc2ccccc2s1)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000126400346 823857759 /nfs/dbraw/zinc/85/77/59/823857759.db2.gz GNLOEQGYQRYABX-CQSZACIVSA-N 1 0 385.558 4.155 20 0 GIADRO CSc1nnc(CCC[NH2+][C@H](C)c2cc(F)c(F)c(F)c2)n1CC(C)C ZINC000165666140 823857832 /nfs/dbraw/zinc/85/78/32/823857832.db2.gz CXWFDBARCGRUCI-GFCCVEGCSA-N 1 0 386.487 4.357 20 0 GIADRO Cc1nc2ccc(C(=O)N3CC[C@@]4(CC[N@H+](Cc5ccccc5)C4)C3)cc2s1 ZINC000574908118 823858579 /nfs/dbraw/zinc/85/85/79/823858579.db2.gz QCIWLLMWCZIUFP-HSZRJFAPSA-N 1 0 391.540 4.343 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ncoc1-c1ccccc1Cl ZINC000462184952 823859056 /nfs/dbraw/zinc/85/90/56/823859056.db2.gz CXMGDXPPMHIRPT-DNVCBOLYSA-N 1 0 395.890 4.245 20 0 GIADRO O=C(CCCc1ncc(-c2ccccc2)o1)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000574915876 823859960 /nfs/dbraw/zinc/85/99/60/823859960.db2.gz HIPKJGQWYQHZJD-UHFFFAOYSA-N 1 0 396.516 4.227 20 0 GIADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)CCCc2ccc3c(c2)-c2ccccc2C3)C1 ZINC000064666650 823860070 /nfs/dbraw/zinc/86/00/70/823860070.db2.gz PQZHDXZKRIUVHE-HXUWFJFHSA-N 1 0 376.544 4.427 20 0 GIADRO Cc1ccsc1S(=O)(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000462186739 823860175 /nfs/dbraw/zinc/86/01/75/823860175.db2.gz HFCSOQKGMPKUNQ-UHFFFAOYSA-N 1 0 392.590 4.300 20 0 GIADRO O=C(CC[N@@H+]1CCC=C(c2ccccn2)C1)Nc1cccc(C(F)(F)F)c1 ZINC000574925289 823861999 /nfs/dbraw/zinc/86/19/99/823861999.db2.gz WPBQPCLWKRLMMT-UHFFFAOYSA-N 1 0 375.394 4.218 20 0 GIADRO C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C(=O)Nc2ccc(OCC[NH+](C)C)cc2F)o1 ZINC000413900414 823862655 /nfs/dbraw/zinc/86/26/55/823862655.db2.gz KKWOVNPJDUZQCC-XBVQOTNRSA-N 1 0 386.467 4.225 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)CCC(=O)c2ccc(Cl)cc2)c(F)c1 ZINC000413899805 823862841 /nfs/dbraw/zinc/86/28/41/823862841.db2.gz DISFDKSCNSVLSB-UHFFFAOYSA-N 1 0 392.858 4.021 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)c2ccc(C(F)(F)F)c(F)c2)c(F)c1 ZINC000413901637 823863343 /nfs/dbraw/zinc/86/33/43/823863343.db2.gz NDIMAQGYKLVQIC-UHFFFAOYSA-N 1 0 388.336 4.176 20 0 GIADRO CCc1c(C(=O)Nc2ccc(OCC[NH+](C)C)cc2F)cnn1C(CC)CC ZINC000413907332 823864223 /nfs/dbraw/zinc/86/42/23/823864223.db2.gz AELGSIAHWPGPCR-UHFFFAOYSA-N 1 0 390.503 4.138 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)Cc2cccc(Cl)c2Cl)c(F)c1 ZINC000413913524 823865146 /nfs/dbraw/zinc/86/51/46/823865146.db2.gz KNYMTBFEAWWIED-UHFFFAOYSA-N 1 0 385.266 4.254 20 0 GIADRO Cc1cc(C)n(-c2cccc(NC(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)c2)n1 ZINC000126430753 823865002 /nfs/dbraw/zinc/86/50/02/823865002.db2.gz DVYMXGFCHSCKRY-HXUWFJFHSA-N 1 0 393.491 4.041 20 0 GIADRO CC(=O)c1ccc(NC(=O)N[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000165894046 823865140 /nfs/dbraw/zinc/86/51/40/823865140.db2.gz NBBYWDFLNXVNJK-RBUKOAKNSA-N 1 0 389.858 4.249 20 0 GIADRO CCc1ccsc1C(=O)Nc1cc(Cl)ccc1N1CC[NH+](CC)CC1 ZINC000064695158 823865926 /nfs/dbraw/zinc/86/59/26/823865926.db2.gz VYGKPGHJIOKQBZ-UHFFFAOYSA-N 1 0 377.941 4.358 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)c2oc3c(cccc3C)c2C)CC1 ZINC000064696008 823866288 /nfs/dbraw/zinc/86/62/88/823866288.db2.gz RSGCGBQNRKXTCI-UHFFFAOYSA-N 1 0 377.488 4.444 20 0 GIADRO Fc1ccc([C@@H]2OCC[C@@H]2[NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)cc1F ZINC000192121902 823867024 /nfs/dbraw/zinc/86/70/24/823867024.db2.gz QNEVQIIYUZHRQG-REWPJTCUSA-N 1 0 395.453 4.259 20 0 GIADRO COc1cccc(C[NH2+][C@@H]2CCCOc3cc(Br)ccc32)c1OC ZINC000165971533 823867276 /nfs/dbraw/zinc/86/72/76/823867276.db2.gz LTOYKZMZQMEXFF-MRXNPFEDSA-N 1 0 392.293 4.470 20 0 GIADRO CC(=O)N(c1nc(CN2CC[C@H](C[NH+]3CCCCC3)C2)cs1)c1ccccc1 ZINC000166100583 823869363 /nfs/dbraw/zinc/86/93/63/823869363.db2.gz HHQZVORPVAKUNU-LJQANCHMSA-N 1 0 398.576 4.136 20 0 GIADRO FC(F)(F)COc1ncccc1C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000166118577 823870041 /nfs/dbraw/zinc/87/00/41/823870041.db2.gz ZRXKITLCQQZZAV-QAPCUYQASA-N 1 0 380.410 4.280 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)C1(c2cccc(C)c2)CC1 ZINC000064720028 823870597 /nfs/dbraw/zinc/87/05/97/823870597.db2.gz CYSMBNXGYPSWHO-UHFFFAOYSA-N 1 0 380.532 4.064 20 0 GIADRO Cc1noc(C)c1CCC[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000166142254 823870660 /nfs/dbraw/zinc/87/06/60/823870660.db2.gz OOHZUUKVCPAALJ-LBPRGKRZSA-N 1 0 383.414 4.250 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)c1 ZINC000166156608 823870997 /nfs/dbraw/zinc/87/09/97/823870997.db2.gz URLNHTQRFINYSU-OAHLLOKOSA-N 1 0 387.474 4.238 20 0 GIADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)CSCc2ccc(Cl)cc2)C1 ZINC000064725759 823872476 /nfs/dbraw/zinc/87/24/76/823872476.db2.gz BXKLLWATVLTLNS-JTDSTZFVSA-N 1 0 380.985 4.437 20 0 GIADRO CSCc1cc(C(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)ccc1F ZINC000126457414 823872720 /nfs/dbraw/zinc/87/27/20/823872720.db2.gz JQWXNTKNVDKSHM-UHFFFAOYSA-N 1 0 387.524 4.072 20 0 GIADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)C(C)(C)Oc2ccc(Cl)cc2)C1 ZINC000064725999 823872563 /nfs/dbraw/zinc/87/25/63/823872563.db2.gz HOYWJTQJBFTSGT-SOLBZPMBSA-N 1 0 378.944 4.361 20 0 GIADRO O=C1CCCN1Cc1ccc(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)cc1 ZINC000166248935 823873426 /nfs/dbraw/zinc/87/34/26/823873426.db2.gz UFWIQVQVTUVRRY-GGAORHGYSA-N 1 0 378.516 4.067 20 0 GIADRO CCC[NH+]1CCC(N(C)Cc2csc(N(C(C)=O)c3ccccc3)n2)CC1 ZINC000166261522 823873922 /nfs/dbraw/zinc/87/39/22/823873922.db2.gz KVTUNEYRDZHKGF-UHFFFAOYSA-N 1 0 386.565 4.134 20 0 GIADRO Fc1ccc(-n2ccc(C[NH2+][C@@H]3CCO[C@@H]3c3ccc(F)c(F)c3)n2)c(F)c1 ZINC000192135498 823874018 /nfs/dbraw/zinc/87/40/18/823874018.db2.gz MBRLOHOFCOQKFL-UYAOXDASSA-N 1 0 391.368 4.049 20 0 GIADRO Cc1cccc(OCCC(=O)Nc2ccc(C[NH+]3CCSCC3)cc2C)c1 ZINC000126465301 823875188 /nfs/dbraw/zinc/87/51/88/823875188.db2.gz UAOHNGVKLVJNDH-UHFFFAOYSA-N 1 0 384.545 4.260 20 0 GIADRO O=c1ccccn1Cc1ccc(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)cc1 ZINC000166358558 823876417 /nfs/dbraw/zinc/87/64/17/823876417.db2.gz BGHAKOSZIFGZFE-VWNXMTODSA-N 1 0 388.511 4.154 20 0 GIADRO Cc1nc(-c2cccc(NC(=O)c3cccc(C[NH+]4CCCCC4)c3)c2)n[nH]1 ZINC000574970517 823876527 /nfs/dbraw/zinc/87/65/27/823876527.db2.gz PEINNBKVJPDVOS-UHFFFAOYSA-N 1 0 375.476 4.018 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)c2ccccc2NC(=O)c2ccccc2)CC1 ZINC000064738791 823876832 /nfs/dbraw/zinc/87/68/32/823876832.db2.gz WMZXXRIHEPSYLJ-UHFFFAOYSA-N 1 0 393.531 4.131 20 0 GIADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000574972546 823877606 /nfs/dbraw/zinc/87/76/06/823877606.db2.gz UTLGFRAIZCWXBW-PBHICJAKSA-N 1 0 380.517 4.007 20 0 GIADRO C[C@H](CO[C@H]1CCOC1)[NH2+][C@@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000166458825 823877756 /nfs/dbraw/zinc/87/77/56/823877756.db2.gz GCXCLQGLHBWYKX-JKIFEVAISA-N 1 0 376.497 4.110 20 0 GIADRO Cc1ccc([C@@H](NC(=O)N2CCC[C@@H](C[NH3+])C2)c2ccc(F)cc2Cl)cc1 ZINC000574975143 823877890 /nfs/dbraw/zinc/87/78/90/823877890.db2.gz PCWZQILONMPUGN-MGPUTAFESA-N 1 0 389.902 4.257 20 0 GIADRO Cc1cc(C)n(-c2ccc(C[NH2+][C@H]3CCO[C@@H]3c3ccc(F)c(F)c3)cc2)n1 ZINC000192143042 823877968 /nfs/dbraw/zinc/87/79/68/823877968.db2.gz NLCDYOPQIJWJDI-FCHUYYIVSA-N 1 0 383.442 4.387 20 0 GIADRO C[C@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1ccc(SCC(F)(F)F)cc1 ZINC000166466021 823878038 /nfs/dbraw/zinc/87/80/38/823878038.db2.gz NLUNXSDWHJIJQE-HOCLYGCPSA-N 1 0 398.498 4.394 20 0 GIADRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+][C@@H]3c4ccccc4C[C@@H]3O)s2)cc1 ZINC000166627038 823879881 /nfs/dbraw/zinc/87/98/81/823879881.db2.gz XSAXYAVTIPDYAY-QTJFZDIUSA-N 1 0 380.513 4.436 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@H]2CCCN(c3cnn(C)c3)C2)ccc1SC(F)F ZINC000166623644 823880161 /nfs/dbraw/zinc/88/01/61/823880161.db2.gz JMOOZEBDYACVAO-ZFWWWQNUSA-N 1 0 396.507 4.063 20 0 GIADRO O=C(c1cc(C2CC2)nc2ccc(Cl)cc21)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000574987024 823880180 /nfs/dbraw/zinc/88/01/80/823880180.db2.gz ALHQBLSNUUNTLZ-HOTGVXAUSA-N 1 0 383.923 4.227 20 0 GIADRO Cc1csc(N2CCC([NH2+][C@@H](C)c3ccc(-n4ccnc4C)cc3)CC2)n1 ZINC000166670080 823880822 /nfs/dbraw/zinc/88/08/22/823880822.db2.gz IEGPUDCSOGDIST-INIZCTEOSA-N 1 0 381.549 4.265 20 0 GIADRO C[N@@H+]1CCC[C@@H]2CN(Cc3coc(-c4ccc(C(F)(F)F)cc4)n3)CC[C@@H]21 ZINC000166682822 823881172 /nfs/dbraw/zinc/88/11/72/823881172.db2.gz PEOZWPDSKRCVEM-QAPCUYQASA-N 1 0 379.426 4.277 20 0 GIADRO C[C@H](Cc1ccco1)NC(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000064756324 823881153 /nfs/dbraw/zinc/88/11/53/823881153.db2.gz RPVQXVQRAWSGMC-OAHLLOKOSA-N 1 0 397.441 4.003 20 0 GIADRO Cc1ccc(CNCc2[nH+]c(C(C)C)n3ccccc23)c(OC[C@@H]2CCOC2)c1 ZINC000574994185 823881446 /nfs/dbraw/zinc/88/14/46/823881446.db2.gz QZNMCRJSBJSZTO-LJQANCHMSA-N 1 0 393.531 4.471 20 0 GIADRO O=C(NC[C@@H](Cc1ccccc1)C(F)(F)F)N1CC[NH+](C2CCCCC2)CC1 ZINC000462226322 823881708 /nfs/dbraw/zinc/88/17/08/823881708.db2.gz JEZUZXFZJACUBM-GOSISDBHSA-N 1 0 397.485 4.068 20 0 GIADRO COc1ccccc1CC(=O)N1CCC([NH2+][C@H]2CC[C@H](c3ccccc3)C2)CC1 ZINC000126489454 823881899 /nfs/dbraw/zinc/88/18/99/823881899.db2.gz MBJCPIVUWPAQPW-REWPJTCUSA-N 1 0 392.543 4.155 20 0 GIADRO COc1cc([C@@H](C)[NH2+]C[C@@H]2CC3(CCC3)C(=O)O2)ccc1OCCC(C)C ZINC000192152374 823882045 /nfs/dbraw/zinc/88/20/45/823882045.db2.gz CFEHVTZSLPWFSQ-AEFFLSMTSA-N 1 0 375.509 4.257 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1cc(Br)c(F)cc1F ZINC000192152262 823882082 /nfs/dbraw/zinc/88/20/82/823882082.db2.gz CYQFZSIMPMWJKU-UHFFFAOYSA-N 1 0 383.236 4.350 20 0 GIADRO O=C(NC[C@H](Cc1ccccc1)C(F)(F)F)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000462228601 823882772 /nfs/dbraw/zinc/88/27/72/823882772.db2.gz OPWRZNAHCXLGIZ-OALUTQOASA-N 1 0 397.485 4.068 20 0 GIADRO O=C(NC[C@H](Cc1ccccc1)C(F)(F)F)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000462228602 823882867 /nfs/dbraw/zinc/88/28/67/823882867.db2.gz OPWRZNAHCXLGIZ-RBUKOAKNSA-N 1 0 397.485 4.068 20 0 GIADRO FC(F)(F)Oc1ccc(OCC[NH+]2CCC(c3noc(C4CC4)n3)CC2)cc1 ZINC000462229843 823883802 /nfs/dbraw/zinc/88/38/02/823883802.db2.gz HEAMVKLSZICLNB-UHFFFAOYSA-N 1 0 397.397 4.104 20 0 GIADRO c1cc2c(nccc2-c2noc([C@@]34CCC[C@@H]3C[N@@H+](Cc3ccccc3)C4)n2)[nH]1 ZINC000575004902 823885098 /nfs/dbraw/zinc/88/50/98/823885098.db2.gz GAOAAQDIJPGUMD-UZUQRXQVSA-N 1 0 385.471 4.118 20 0 GIADRO CC(C)[C@@]1(CO)CCCN(CC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000575006123 823885207 /nfs/dbraw/zinc/88/52/07/823885207.db2.gz MLKMUSWCRZBYII-QHCPKHFHSA-N 1 0 382.504 4.148 20 0 GIADRO CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3ccc(-n4ccnc4)cc3C)ccc2NC1=O ZINC000192159788 823885442 /nfs/dbraw/zinc/88/54/42/823885442.db2.gz LGWROGFYULNDSO-KKSFZXQISA-N 1 0 390.487 4.141 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2ccc(C)cc2OC[C@H]2CCOC2)c1 ZINC000167161072 823887396 /nfs/dbraw/zinc/88/73/96/823887396.db2.gz LIRMPNIYCYQITN-MJGOQNOKSA-N 1 0 382.504 4.220 20 0 GIADRO Clc1cc(C[NH2+]Cc2ccccc2N2CCOCC2)ccc1Br ZINC000192166695 823888430 /nfs/dbraw/zinc/88/84/30/823888430.db2.gz OYUDRNNQBZEUTC-UHFFFAOYSA-N 1 0 395.728 4.229 20 0 GIADRO COc1ccc([C@H](C)[NH2+]Cc2ccc(C)cc2OC[C@@H]2CCOC2)cc1OC ZINC000167211879 823888614 /nfs/dbraw/zinc/88/86/14/823888614.db2.gz HXGNGFVAFNWGSX-ZWKOTPCHSA-N 1 0 385.504 4.278 20 0 GIADRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2N(C)C)c(OC[C@@H]2CCOC2)c1 ZINC000167207724 823888696 /nfs/dbraw/zinc/88/86/96/823888696.db2.gz DACQQHNELLXYLY-ZWKOTPCHSA-N 1 0 386.511 4.466 20 0 GIADRO COCCCOc1cc(C)ccc1C[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000167231502 823889285 /nfs/dbraw/zinc/88/92/85/823889285.db2.gz SKPGRPFWMVKWDG-SFHVURJKSA-N 1 0 398.503 4.218 20 0 GIADRO O=C(NCc1ccncc1)Nc1cccc(C[NH2+][C@@H]2CCC[C@H](C3CC3)C2)c1 ZINC000167410879 823891459 /nfs/dbraw/zinc/89/14/59/823891459.db2.gz DAAPIFQUFPTXSJ-LEWJYISDSA-N 1 0 378.520 4.462 20 0 GIADRO O=C(C[N@@H+]1CCC[C@@H](c2ccncc2)C1)N(Cc1ccccc1)c1ccccc1 ZINC000575026074 823891697 /nfs/dbraw/zinc/89/16/97/823891697.db2.gz IKYIPQVCBJAREX-HSZRJFAPSA-N 1 0 385.511 4.494 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)Nc3ccc(O)c(Cl)c3)c(C)c2)CC1 ZINC000192175266 823892101 /nfs/dbraw/zinc/89/21/01/823892101.db2.gz UJVHJONHHBGYHH-UHFFFAOYSA-N 1 0 388.899 4.140 20 0 GIADRO C[C@H](C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)Cc1cccs1 ZINC000167442485 823892088 /nfs/dbraw/zinc/89/20/88/823892088.db2.gz ZYIMHWDEFDEGBF-HNNXBMFYSA-N 1 0 376.953 4.475 20 0 GIADRO Fc1ccc2[nH]cc(C3CC[NH+](Cc4cnn(CC(F)(F)F)c4)CC3)c2c1 ZINC000575028154 823892891 /nfs/dbraw/zinc/89/28/91/823892891.db2.gz URXBXTDZORNEKD-UHFFFAOYSA-N 1 0 380.389 4.445 20 0 GIADRO CC1CC[NH+]([C@H](CNC(=O)c2ccncc2C(F)(F)F)c2ccccc2)CC1 ZINC000192181996 823894873 /nfs/dbraw/zinc/89/48/73/823894873.db2.gz YDNHTXPFOQYBQO-LJQANCHMSA-N 1 0 391.437 4.303 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000167810116 823895965 /nfs/dbraw/zinc/89/59/65/823895965.db2.gz VZMXZPAZLNUHFG-UONOGXRCSA-N 1 0 378.438 4.477 20 0 GIADRO C[C@@H](NC(=O)C[N@@H+]1CCCC2(CCOCC2)C1)c1ccc(Cl)cc1Cl ZINC000575036317 823895966 /nfs/dbraw/zinc/89/59/66/823895966.db2.gz KZHPYYSZEOJYLN-CQSZACIVSA-N 1 0 385.335 4.063 20 0 GIADRO CC(C)C(=O)Nc1cccc(NC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)c1 ZINC000126549688 823896258 /nfs/dbraw/zinc/89/62/58/823896258.db2.gz MDDVGPNAJQFTOC-OAQYLSRUSA-N 1 0 394.519 4.240 20 0 GIADRO CC(C)c1ccc2c(c1)[C@H]([NH2+]Cc1ccc(N3CCO[C@H](C)C3)nc1)CCCO2 ZINC000126555878 823898313 /nfs/dbraw/zinc/89/83/13/823898313.db2.gz JTPOZQVMTYXIJT-XMSQKQJNSA-N 1 0 395.547 4.434 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCCC1)NCc1cccc2c1CCCN2 ZINC000575051103 823899796 /nfs/dbraw/zinc/89/97/96/823899796.db2.gz OVJRACOCDDDRIQ-UHFFFAOYSA-N 1 0 392.547 4.030 20 0 GIADRO CCS[C@@H]1CC[C@H](N(C)C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000126564668 823900077 /nfs/dbraw/zinc/90/00/77/823900077.db2.gz IEEOAOQGLLKSRH-VQTJNVASSA-N 1 0 393.572 4.106 20 0 GIADRO COc1ccc(C[C@@H]([NH2+][C@H](C)c2cc3n(n2)CCC3)c2ccccc2)cc1OC ZINC000414068732 823900372 /nfs/dbraw/zinc/90/03/72/823900372.db2.gz IRIFHMSYDUYLOG-VGOFRKELSA-N 1 0 391.515 4.481 20 0 GIADRO COC(=O)c1cnc([C@@H](C)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)s1 ZINC000414071508 823901505 /nfs/dbraw/zinc/90/15/05/823901505.db2.gz LYBZBNFVNHWWLN-AEFFLSMTSA-N 1 0 387.549 4.054 20 0 GIADRO O=C([C@H]([NH2+]C1CCN(c2cccs2)CC1)c1ccccc1)N1CCCCC1 ZINC000126571505 823902113 /nfs/dbraw/zinc/90/21/13/823902113.db2.gz QCVOHEOOOBVKPV-OAQYLSRUSA-N 1 0 383.561 4.060 20 0 GIADRO CCNC(=O)c1ccc(C)c(N[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000575059465 823902120 /nfs/dbraw/zinc/90/21/20/823902120.db2.gz XWLAHOVCRNDHRN-OAQYLSRUSA-N 1 0 377.532 4.354 20 0 GIADRO Cc1noc(-c2ccccc2)c1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000126572146 823902588 /nfs/dbraw/zinc/90/25/88/823902588.db2.gz UNVSRHQKSDWKFX-PKOBYXMFSA-N 1 0 380.492 4.131 20 0 GIADRO COc1c(Br)cccc1C[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000168499880 823902917 /nfs/dbraw/zinc/90/29/17/823902917.db2.gz HCYDAJFXNBSMAY-UHFFFAOYSA-N 1 0 390.199 4.488 20 0 GIADRO CN(C)c1cc(C[NH2+]Cc2ccc(OC(F)F)c(F)c2)c2ccccc2n1 ZINC000168427300 823903233 /nfs/dbraw/zinc/90/32/33/823903233.db2.gz YCVZMURMBVTPRU-UHFFFAOYSA-N 1 0 375.394 4.331 20 0 GIADRO Cc1ccc(OC(F)F)c(C[NH2+][C@@H](C)CC(=O)Nc2cccnc2Cl)c1 ZINC000168603825 823904791 /nfs/dbraw/zinc/90/47/91/823904791.db2.gz SEZCTZCLMFHHDA-LBPRGKRZSA-N 1 0 383.826 4.152 20 0 GIADRO CCOc1cccc(C[NH2+]C2CCN(c3nc(C)cs3)CC2)c1OC(F)F ZINC000168631792 823904885 /nfs/dbraw/zinc/90/48/85/823904885.db2.gz IBKWOJRSVXAQHP-UHFFFAOYSA-N 1 0 397.491 4.210 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]Cc2cc(C)ccc2OC(F)F)cc1 ZINC000168616804 823904943 /nfs/dbraw/zinc/90/49/43/823904943.db2.gz NLUHOQJSGRCYNL-CQSZACIVSA-N 1 0 398.475 4.209 20 0 GIADRO C[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1cccc(Br)c1 ZINC000462263371 823905118 /nfs/dbraw/zinc/90/51/18/823905118.db2.gz OGRCVXJOAJQTIK-GDIGMMSISA-N 1 0 387.321 4.114 20 0 GIADRO Cc1ccc(OC(F)F)c(C[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)c1 ZINC000168613350 823905205 /nfs/dbraw/zinc/90/52/05/823905205.db2.gz BJECFAVILZECLB-CQSZACIVSA-N 1 0 376.403 4.404 20 0 GIADRO COC(=O)c1cnc([C@@H](C)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)s1 ZINC000414084568 823905334 /nfs/dbraw/zinc/90/53/34/823905334.db2.gz XWKHVHHODBEYCH-HZPDHXFCSA-N 1 0 387.549 4.155 20 0 GIADRO Cc1nc2ccccc2n1Cc1cc(NC(=O)CC[NH2+]C(C)C)ccc1Cl ZINC000168672454 823905561 /nfs/dbraw/zinc/90/55/61/823905561.db2.gz YCARUCACBIJZGA-UHFFFAOYSA-N 1 0 384.911 4.373 20 0 GIADRO CCOc1cccc(C[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)c1OC(F)F ZINC000168639324 823905650 /nfs/dbraw/zinc/90/56/50/823905650.db2.gz BVEHJKPWCRMMKZ-ZBSNKRKSSA-N 1 0 383.460 4.275 20 0 GIADRO CCOc1cccc(C[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)c1OC(F)F ZINC000168639420 823905686 /nfs/dbraw/zinc/90/56/86/823905686.db2.gz BVEHJKPWCRMMKZ-NRRJATNASA-N 1 0 383.460 4.275 20 0 GIADRO Cc1nc2ccccc2n1Cc1cc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)ccc1Cl ZINC000168672028 823905737 /nfs/dbraw/zinc/90/57/37/823905737.db2.gz SJNMIFOVQJZAPG-GDBMZVCRSA-N 1 0 382.895 4.112 20 0 GIADRO Cc1nc2ccccc2n1Cc1cc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)ccc1Cl ZINC000168672132 823905765 /nfs/dbraw/zinc/90/57/65/823905765.db2.gz SJNMIFOVQJZAPG-GOEBONIOSA-N 1 0 382.895 4.112 20 0 GIADRO CCOc1cc(C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2Cl)ccc1OC ZINC000168827553 823906676 /nfs/dbraw/zinc/90/66/76/823906676.db2.gz AATJBEBAQXXOHS-CQSZACIVSA-N 1 0 386.883 4.179 20 0 GIADRO CSCC[C@H](C)[N@H+](C)CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000126591365 823906768 /nfs/dbraw/zinc/90/67/68/823906768.db2.gz CRMCJRPPAYCWLE-LIRRHRJNSA-N 1 0 380.554 4.166 20 0 GIADRO O=C(C[C@H]1CCC[NH2+]1)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1 ZINC000168923533 823907281 /nfs/dbraw/zinc/90/72/81/823907281.db2.gz WRYPFYXWCNDHHO-GFCCVEGCSA-N 1 0 383.345 4.112 20 0 GIADRO C[C@@H]([NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1)[C@H]1C[C@H]1C ZINC000414092086 823907427 /nfs/dbraw/zinc/90/74/27/823907427.db2.gz MHFRNRUTOQTOCV-VKCQTPNSSA-N 1 0 379.472 4.092 20 0 GIADRO CC(C)(C)C[C@@H]([NH2+]CC1(CO)CCOCC1)c1ccc(Br)cc1 ZINC000414095692 823908529 /nfs/dbraw/zinc/90/85/29/823908529.db2.gz HNDNGSXUIUQYKM-QGZVFWFLSA-N 1 0 384.358 4.305 20 0 GIADRO CC(C)(CNC(=O)Nc1nc2ccsc2s1)[N@@H+]1CCc2ccccc2C1 ZINC000575090552 823908845 /nfs/dbraw/zinc/90/88/45/823908845.db2.gz CCZJIYXNHYIPEG-UHFFFAOYSA-N 1 0 386.546 4.316 20 0 GIADRO CCc1cc(N2CCC([NH2+][C@H](C)c3csc(-c4ccccc4)n3)CC2)ncn1 ZINC000414099272 823909132 /nfs/dbraw/zinc/90/91/32/823909132.db2.gz JLUMFUVIQWCPSI-MRXNPFEDSA-N 1 0 393.560 4.482 20 0 GIADRO CCC(=O)N1CC[C@H]([NH2+][C@@H](c2ccccc2)c2cccc(Br)c2)C1 ZINC000414103329 823910136 /nfs/dbraw/zinc/91/01/36/823910136.db2.gz UJEKVJUEGMCCCI-ICSRJNTNSA-N 1 0 387.321 4.139 20 0 GIADRO CC(C)c1cc(C[NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)on1 ZINC000169275906 823910252 /nfs/dbraw/zinc/91/02/52/823910252.db2.gz KACYAINCKLNGIK-LBPRGKRZSA-N 1 0 380.286 4.067 20 0 GIADRO CC(C)(C)OC(=O)c1ccc(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)cc1 ZINC000126611618 823910650 /nfs/dbraw/zinc/91/06/50/823910650.db2.gz UBAQKWHLNSBRMB-IBGZPJMESA-N 1 0 392.503 4.064 20 0 GIADRO CC(C)c1cc(C[NH2+][C@@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)on1 ZINC000169278837 823910763 /nfs/dbraw/zinc/91/07/63/823910763.db2.gz CFQFRGBLUQYIIN-LBPRGKRZSA-N 1 0 385.386 4.204 20 0 GIADRO C[N@H+](CCNc1nn2cc(-c3ccc(F)cc3)nc2s1)Cc1ccccc1 ZINC000064916246 823911690 /nfs/dbraw/zinc/91/16/90/823911690.db2.gz MGVQVUYSGLQRLD-UHFFFAOYSA-N 1 0 381.480 4.141 20 0 GIADRO COc1ccccc1CCC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000575100591 823912460 /nfs/dbraw/zinc/91/24/60/823912460.db2.gz GDULZJBWZYKWLK-NRFANRHFSA-N 1 0 380.532 4.046 20 0 GIADRO CC(C)CS(=O)(=O)N1CCC([NH2+][C@H]2CC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000414114370 823913007 /nfs/dbraw/zinc/91/30/07/823913007.db2.gz SZBJKWLNRYVVOG-XLIONFOSSA-N 1 0 399.000 4.016 20 0 GIADRO C/C=C/COc1ccc(CC[C@@H](C)[NH2+]CCc2nnc3n2CCCCC3)cc1 ZINC000126622571 823913618 /nfs/dbraw/zinc/91/36/18/823913618.db2.gz AHYJEAAPEOQALN-GNAXCBTBSA-N 1 0 382.552 4.113 20 0 GIADRO CC(C)(C)C[C@H]([NH2+]Cc1ccc(C(N)=O)nc1)c1ccc(Br)cc1 ZINC000414120297 823913985 /nfs/dbraw/zinc/91/39/85/823913985.db2.gz XJWIHVGKNOECJY-KRWDZBQOSA-N 1 0 390.325 4.210 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)NCc1ccc(F)cc1C(F)(F)F)c1cccs1 ZINC000126624717 823914294 /nfs/dbraw/zinc/91/42/94/823914294.db2.gz GYEKNUWJZCXRGZ-CQSZACIVSA-N 1 0 389.418 4.008 20 0 GIADRO CCSc1cccc(NC(=O)N(CC[NH+](C)C)Cc2cccc(OC)c2)c1 ZINC000192244920 823914752 /nfs/dbraw/zinc/91/47/52/823914752.db2.gz GLDCFSJUQFGVLS-UHFFFAOYSA-N 1 0 387.549 4.403 20 0 GIADRO CCOC(=O)c1csc(CC[NH2+][C@H]2CC[C@H](c3cccc(Cl)c3)C2)n1 ZINC000414126546 823914726 /nfs/dbraw/zinc/91/47/26/823914726.db2.gz DVOSADQZIWXECI-HOCLYGCPSA-N 1 0 378.925 4.442 20 0 GIADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCCCCOC1CCCCC1 ZINC000414126099 823914844 /nfs/dbraw/zinc/91/48/44/823914844.db2.gz QUTNXKLMSUCOMW-MRXNPFEDSA-N 1 0 399.373 4.109 20 0 GIADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)Nc1cccc(COCCc2ccccc2)c1 ZINC000064936553 823914957 /nfs/dbraw/zinc/91/49/57/823914957.db2.gz FWPWOALSAPRVQU-JOCHJYFZSA-N 1 0 397.588 4.217 20 0 GIADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000414126922 823915410 /nfs/dbraw/zinc/91/54/10/823915410.db2.gz RQHMZRKMZWRULQ-RYUDHWBXSA-N 1 0 398.370 4.104 20 0 GIADRO COc1cc(C(C)=O)ccc1OC[C@H](O)C[NH2+][C@@H](c1ccccc1)C(C)(C)C ZINC000064938746 823916035 /nfs/dbraw/zinc/91/60/35/823916035.db2.gz LWCCLBUUPZOPFT-KNQAVFIVSA-N 1 0 385.504 4.015 20 0 GIADRO CC(C)(C)O[C@H]1C[C@H]([NH2+]Cc2cccc(COC3CCOCC3)c2)C1(C)C ZINC000414130315 823916114 /nfs/dbraw/zinc/91/61/14/823916114.db2.gz WHUJAHZVOKBGMQ-SFTDATJTSA-N 1 0 375.553 4.454 20 0 GIADRO NC(=O)c1ccc(-c2nc(C[N@@H+]3CCC[C@@H](c4ccccc4)C3)cs2)cc1 ZINC000575116174 823916251 /nfs/dbraw/zinc/91/62/51/823916251.db2.gz UKSCPVZJLYVUAE-LJQANCHMSA-N 1 0 377.513 4.289 20 0 GIADRO Brc1cccc([C@@H]([NH2+][C@H]2CCn3ccnc3C2)c2ccccc2)c1 ZINC000414151816 823919083 /nfs/dbraw/zinc/91/90/83/823919083.db2.gz ZFRCDJYRAPBAHO-ICSRJNTNSA-N 1 0 382.305 4.340 20 0 GIADRO Cc1c(Cl)cccc1S(=O)(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000462307847 823919448 /nfs/dbraw/zinc/91/94/48/823919448.db2.gz YIKUPRAOLJZHKH-RDTXWAMCSA-N 1 0 398.981 4.071 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCN(C(=O)Cc2ccccc2)C1)c1csc(-c2ccccc2)n1 ZINC000414156004 823919710 /nfs/dbraw/zinc/91/97/10/823919710.db2.gz UILOEGUKNAOYOH-XLIONFOSSA-N 1 0 391.540 4.304 20 0 GIADRO Cc1cc(OCC[NH+]2CCC(NC(=O)c3ccsc3)CC2)ccc1C(C)C ZINC000064991524 823922292 /nfs/dbraw/zinc/92/22/92/823922292.db2.gz LDPXOCAXHVTGID-UHFFFAOYSA-N 1 0 386.561 4.453 20 0 GIADRO C[C@@H]1CCN(C(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CCS1 ZINC000192266044 823922784 /nfs/dbraw/zinc/92/27/84/823922784.db2.gz YZYUBIPQISAYAO-DDUZABMNSA-N 1 0 399.963 4.009 20 0 GIADRO CC[C@H]([NH2+]C[C@@H](CO)Cc1cc(F)cc(Br)c1)c1ccc(F)cn1 ZINC000414179399 823923389 /nfs/dbraw/zinc/92/33/89/823923389.db2.gz KQTXTKZJNSSTIZ-GUYCJALGSA-N 1 0 399.279 4.014 20 0 GIADRO C[C@@H]1C[C@H](N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)c2nccn21 ZINC000414186236 823924267 /nfs/dbraw/zinc/92/42/67/823924267.db2.gz PJYRXANXZBUTGV-LMDOGRNLSA-N 1 0 390.506 4.286 20 0 GIADRO CC(C)(C)n1cc(C[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)cn1 ZINC000065014531 823924286 /nfs/dbraw/zinc/92/42/86/823924286.db2.gz LGOKEDYCPHUOQC-UHFFFAOYSA-N 1 0 377.414 4.132 20 0 GIADRO CC[C@H]([NH2+]C1CCC(C(F)F)CC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000414182538 823924568 /nfs/dbraw/zinc/92/45/68/823924568.db2.gz MTZOLNMSQQXAOB-HGMXIMQMSA-N 1 0 394.915 4.113 20 0 GIADRO O=C(Nc1cccc(COCC2CC2)c1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000065015369 823924738 /nfs/dbraw/zinc/92/47/38/823924738.db2.gz ATLJTDDMKYLDNO-UHFFFAOYSA-N 1 0 393.531 4.399 20 0 GIADRO COc1ccc([C@@H](CO)C[NH2+][C@H](c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000414186944 823924793 /nfs/dbraw/zinc/92/47/93/823924793.db2.gz PWCWTEUUYGUNTH-ZJSXRUAMSA-N 1 0 377.484 4.159 20 0 GIADRO COC1CCC([NH2+][C@@H](C)c2ccc(F)c(I)c2)CC1 ZINC000414191611 823925290 /nfs/dbraw/zinc/92/52/90/823925290.db2.gz ULFPOTPPYZXLSO-PKSQDBQZSA-N 1 0 377.241 4.039 20 0 GIADRO CCC[C@H]([NH2+]C[C@H](CO)Cc1cc(F)cc(Br)c1)c1ccccn1 ZINC000414191160 823925301 /nfs/dbraw/zinc/92/53/01/823925301.db2.gz RPMCLQXSPUBABF-QAPCUYQASA-N 1 0 395.316 4.265 20 0 GIADRO CCC[C@@H]([NH2+]C[C@H](CO)Cc1cc(F)cc(Br)c1)c1ccccn1 ZINC000414191154 823925418 /nfs/dbraw/zinc/92/54/18/823925418.db2.gz RPMCLQXSPUBABF-CRAIPNDOSA-N 1 0 395.316 4.265 20 0 GIADRO C[C@@H]1C[C@@H]([NH2+]CCc2nnc3n2CCCCC3)c2cccc(Br)c21 ZINC000126680638 823925708 /nfs/dbraw/zinc/92/57/08/823925708.db2.gz IWHKKPDJZUGIQP-CZUORRHYSA-N 1 0 389.341 4.148 20 0 GIADRO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c(Cl)c1 ZINC000462328590 823926216 /nfs/dbraw/zinc/92/62/16/823926216.db2.gz VAWWBZPMTBMGBZ-RDTXWAMCSA-N 1 0 398.981 4.071 20 0 GIADRO O=C1C[C@H](C[NH2+][C@@H](c2ccc(Cl)cc2)c2ccc(C(F)(F)F)cc2)CN1 ZINC000414204418 823928204 /nfs/dbraw/zinc/92/82/04/823928204.db2.gz OFTVFSOETIMJNB-KPZWWZAWSA-N 1 0 382.813 4.174 20 0 GIADRO O=C1C[C@@H](C[NH2+][C@@H](c2ccc(Cl)cc2)c2ccc(C(F)(F)F)cc2)CN1 ZINC000414204425 823928269 /nfs/dbraw/zinc/92/82/69/823928269.db2.gz OFTVFSOETIMJNB-KZULUSFZSA-N 1 0 382.813 4.174 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H]2CCCOc3ccccc32)c1 ZINC000414206000 823928647 /nfs/dbraw/zinc/92/86/47/823928647.db2.gz DPZDBGRDOXXPBS-GOSISDBHSA-N 1 0 379.909 4.137 20 0 GIADRO FC(F)(F)CN1CCC([NH2+]Cc2cccc(Br)c2Cl)CC1 ZINC000414207434 823928683 /nfs/dbraw/zinc/92/86/83/823928683.db2.gz GWPLGWJPBNKPIE-UHFFFAOYSA-N 1 0 385.655 4.219 20 0 GIADRO CC[C@@H]([NH2+]Cc1cc(Cl)cc(S(=O)(=O)CC)c1)c1ccc(OC)cc1 ZINC000414212237 823930250 /nfs/dbraw/zinc/93/02/50/823930250.db2.gz QDZXGBOSBBHICJ-LJQANCHMSA-N 1 0 381.925 4.383 20 0 GIADRO O=C1C[C@H](C[NH2+][C@H](Cc2cccc(F)c2)c2ccc(Cl)c(Cl)c2)CN1 ZINC000414212614 823930371 /nfs/dbraw/zinc/93/03/71/823930371.db2.gz WZXJNWORMZAWOG-FZKQIMNGSA-N 1 0 381.278 4.142 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1cc(F)cc(F)c1 ZINC000126711783 823932858 /nfs/dbraw/zinc/93/28/58/823932858.db2.gz QKTLGGMIQDMRNH-HUUCEWRRSA-N 1 0 377.454 4.268 20 0 GIADRO Cc1cc2ccccc2n1CC(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000170678465 823935247 /nfs/dbraw/zinc/93/52/47/823935247.db2.gz FMOPWBCWFHGHCL-UHFFFAOYSA-N 1 0 376.504 4.095 20 0 GIADRO CC[C@H](CSc1ccc(Cl)cc1)[NH2+]CCc1nnc2n1CCCCC2 ZINC000126724589 823936493 /nfs/dbraw/zinc/93/64/93/823936493.db2.gz UUDMILDEVPKCKQ-MRXNPFEDSA-N 1 0 378.973 4.361 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2cc(Cc3ccccc3)n[nH]2)CC1 ZINC000575200198 823937021 /nfs/dbraw/zinc/93/70/21/823937021.db2.gz VPSAKTHVIGVKQR-LJQANCHMSA-N 1 0 394.563 4.117 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2cc(Cc3ccccc3)n[nH]2)CC1 ZINC000575200197 823937255 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C[C@@H](NC(=O)Nc1cc(Cl)c(N)c(Cl)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000192314204 823943481 /nfs/dbraw/zinc/94/34/81/823943481.db2.gz MJQLHVGQYZJRGU-VXGBXAGGSA-N 1 0 385.339 4.350 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@@H](C)c2cc(C)c(Br)s2)cn1 ZINC000414259695 823944354 /nfs/dbraw/zinc/94/43/54/823944354.db2.gz YIKGHDNUCFROHM-HEHGZKQESA-N 1 0 398.370 4.464 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)c1ccc(OC)c(O)c1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000575222023 823944847 /nfs/dbraw/zinc/94/48/47/823944847.db2.gz LWPGQGCMRRNYCQ-BPXKWBHBSA-N 1 0 380.492 4.020 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)Nc1ccc2oc(C)nc2c1)[NH+]1CCCC1 ZINC000126767300 823946009 /nfs/dbraw/zinc/94/60/09/823946009.db2.gz IQGOPZNXTGULGB-IBGZPJMESA-N 1 0 394.475 4.103 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1occc1-c1ccc(F)cc1 ZINC000126768033 823946250 /nfs/dbraw/zinc/94/62/50/823946250.db2.gz HZOSCDJQIWFGIM-UHFFFAOYSA-N 1 0 393.462 4.469 20 0 GIADRO C[C@@H]([NH2+]CCC(C)(C)S(C)(=O)=O)c1cc2cc(Br)ccc2o1 ZINC000414267309 823946636 /nfs/dbraw/zinc/94/66/36/823946636.db2.gz STCPYUBNKMWJMF-LLVKDONJSA-N 1 0 388.327 4.059 20 0 GIADRO CC(C)(CC[NH2+][C@H]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000414268553 823947649 /nfs/dbraw/zinc/94/76/49/823947649.db2.gz USNHOXASBRZIBW-CJNGLKHVSA-N 1 0 378.365 4.432 20 0 GIADRO CC(C)c1c(NC(=O)NCc2ccc(C[NH+](C)C)cc2)cnn1-c1ccccc1 ZINC000192329187 823947590 /nfs/dbraw/zinc/94/75/90/823947590.db2.gz MWJJEMZJXHUDHF-UHFFFAOYSA-N 1 0 391.519 4.379 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]CCC(C)(C)S(C)(=O)=O ZINC000414270567 823947811 /nfs/dbraw/zinc/94/78/11/823947811.db2.gz VTOGWPJMIKFXGX-AWEZNQCLSA-N 1 0 380.579 4.291 20 0 GIADRO O=C(c1ccc(Sc2ccccn2)cc1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000126774494 823947896 /nfs/dbraw/zinc/94/78/96/823947896.db2.gz BHVLBFGSGIOHQL-WIYYLYMNSA-N 1 0 393.556 4.322 20 0 GIADRO COc1ccc([C@H]2CCCC[C@H]2[NH2+]Cc2nccc(C(F)(F)F)n2)cc1F ZINC000414270004 823948055 /nfs/dbraw/zinc/94/80/55/823948055.db2.gz YHJXXAIRRSBUEY-UKRRQHHQSA-N 1 0 383.389 4.459 20 0 GIADRO O=C(Oc1cccc(Oc2ncccn2)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000170707227 823948717 /nfs/dbraw/zinc/94/87/17/823948717.db2.gz AOWGAEVOUNILCU-IBGZPJMESA-N 1 0 389.455 4.087 20 0 GIADRO C[C@H]1CN(CCC(=O)Nc2ccccc2Cl)C[C@H](c2ccc(F)cc2)O1 ZINC000126780788 823949415 /nfs/dbraw/zinc/94/94/15/823949415.db2.gz PKXWXBXAANVACQ-IFXJQAMLSA-N 1 0 376.859 4.270 20 0 GIADRO CC(=O)N1CC[C@@H]([NH2+][C@H]2CCCc3nc(-c4ccc(Cl)cc4)sc32)C1 ZINC000575238190 823949382 /nfs/dbraw/zinc/94/93/82/823949382.db2.gz SHXMZVHDEVVBTG-CVEARBPZSA-N 1 0 375.925 4.051 20 0 GIADRO Cc1cc(C[NH2+]Cc2ccccc2CN2CCCC2=O)ccc1C(F)(F)F ZINC000414279130 823950092 /nfs/dbraw/zinc/95/00/92/823950092.db2.gz YIDLNKURJLDJST-UHFFFAOYSA-N 1 0 376.422 4.426 20 0 GIADRO CC[C@H]([NH2+]C[C@@H]1CCO[C@H]1c1cnn(C)c1)c1ccccc1Br ZINC000414281290 823950499 /nfs/dbraw/zinc/95/04/99/823950499.db2.gz FNSAHYORTYAARP-DOPJRALCSA-N 1 0 378.314 4.001 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccc(Br)cc2F)C1 ZINC000065140680 823951004 /nfs/dbraw/zinc/95/10/04/823951004.db2.gz WMZUCDFVMCDPLZ-CZUORRHYSA-N 1 0 391.284 4.154 20 0 GIADRO CC[C@@H](C)Oc1cc(C[NH+]2CCC(C(=O)N[C@H](C)C(C)C)CC2)ccc1OC ZINC000126787740 823951514 /nfs/dbraw/zinc/95/15/14/823951514.db2.gz ZABBMSKHUULUJF-QZTJIDSGSA-N 1 0 390.568 4.245 20 0 GIADRO Cc1cc(C[NH2+]Cc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)ccc1C(F)(F)F ZINC000414285121 823951647 /nfs/dbraw/zinc/95/16/47/823951647.db2.gz LDIBQHHGKFORSI-HZPDHXFCSA-N 1 0 393.453 4.312 20 0 GIADRO Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)N2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000170713377 823951557 /nfs/dbraw/zinc/95/15/57/823951557.db2.gz KEXUDVQGBYHZBU-GMAHTHKFSA-N 1 0 377.532 4.153 20 0 GIADRO COc1cccc(C(=O)C(C(=S)Nc2ccc(Cl)nc2)[n+]2ccccc2)c1 ZINC000170715565 823952304 /nfs/dbraw/zinc/95/23/04/823952304.db2.gz ZFFRLPHVOVYLEX-UHFFFAOYSA-O 1 0 398.895 4.082 20 0 GIADRO COc1ccc(CC[NH+]2CCC(c3noc(-c4ccccc4OC)n3)CC2)cc1 ZINC000192341567 823953124 /nfs/dbraw/zinc/95/31/24/823953124.db2.gz RJNMDYNXSIQMJJ-UHFFFAOYSA-N 1 0 393.487 4.176 20 0 GIADRO CC(C)c1c(NC(=O)NCc2cccc(C[NH+](C)C)c2)cnn1-c1ccccc1 ZINC000192342290 823953277 /nfs/dbraw/zinc/95/32/77/823953277.db2.gz PZKSGULLWMSXOM-UHFFFAOYSA-N 1 0 391.519 4.379 20 0 GIADRO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2ccc(OC(F)F)c(OC)c2)cn1 ZINC000126805889 823955866 /nfs/dbraw/zinc/95/58/66/823955866.db2.gz PPORHMXYQSOZIS-AWEZNQCLSA-N 1 0 379.451 4.389 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)C2CCCC2)C1)c1ccc(F)c(Br)c1 ZINC000126807693 823956261 /nfs/dbraw/zinc/95/62/61/823956261.db2.gz DQYUFBPNTYYVQE-SWLSCSKDSA-N 1 0 383.305 4.030 20 0 GIADRO COc1ccc(C2(C[NH2+]Cc3ccc(S(C)(=O)=O)s3)CCCCC2)cc1 ZINC000414314274 823956335 /nfs/dbraw/zinc/95/63/35/823956335.db2.gz ZODVHUVTAXTTAB-UHFFFAOYSA-N 1 0 393.574 4.152 20 0 GIADRO c1csc(-c2nc(CNC[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)cs2)c1 ZINC000192355367 823957352 /nfs/dbraw/zinc/95/73/52/823957352.db2.gz UIGSZJVIWWRZPZ-LJQANCHMSA-N 1 0 399.585 4.252 20 0 GIADRO CC(C)(C(=O)N1CCC(C[NH+]2CCCC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000170738758 823957963 /nfs/dbraw/zinc/95/79/63/823957963.db2.gz MVAKTPZVKJFRFU-UHFFFAOYSA-N 1 0 382.470 4.317 20 0 GIADRO CC(C)c1sc(NC(=O)CN2CC[C@@H]([NH+]3CCCC3)C2)nc1-c1ccccc1 ZINC000170740058 823958530 /nfs/dbraw/zinc/95/85/30/823958530.db2.gz LHYBEIWBKUYUKM-GOSISDBHSA-N 1 0 398.576 4.042 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000126817930 823958524 /nfs/dbraw/zinc/95/85/24/823958524.db2.gz IBPUIXXHEYMTJF-LEWJYISDSA-N 1 0 383.923 4.214 20 0 GIADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2cccc(-c3csc(C)n3)c2)cc1 ZINC000575337560 823958794 /nfs/dbraw/zinc/95/87/94/823958794.db2.gz WYOAXICLEOTNFP-HXUWFJFHSA-N 1 0 395.528 4.160 20 0 GIADRO CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000192360481 823959143 /nfs/dbraw/zinc/95/91/43/823959143.db2.gz HHSJAAITTUEVIK-ACJLOTCBSA-N 1 0 392.455 4.335 20 0 GIADRO CS(=O)(=O)CC1(C[NH2+][C@H](c2ccc(Cl)c(Cl)c2)C2CC2)CCC1 ZINC000414332359 823960235 /nfs/dbraw/zinc/96/02/35/823960235.db2.gz RPKUZFXFGOLKRN-INIZCTEOSA-N 1 0 376.349 4.249 20 0 GIADRO CC(C)Oc1ccc([C@H](CNC(=O)[C@@H]2SCCc3ccccc32)[NH+](C)C)cc1 ZINC000575352443 823960516 /nfs/dbraw/zinc/96/05/16/823960516.db2.gz POIHRLJARGYYTL-FCHUYYIVSA-N 1 0 398.572 4.223 20 0 GIADRO C[C@@H]1[C@@H](NC(=O)Nc2cccc(OC(F)F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000575351805 823960594 /nfs/dbraw/zinc/96/05/94/823960594.db2.gz ZVWRCKIDUMBWRH-KDOFPFPSSA-N 1 0 375.419 4.073 20 0 GIADRO Cc1cc2ncc([C@H](C)[NH2+][C@@H](C)Cc3cn(C)c4ccc(F)cc34)c(C)n2n1 ZINC000414336122 823960757 /nfs/dbraw/zinc/96/07/57/823960757.db2.gz CSIWMDURKPMNND-ZFWWWQNUSA-N 1 0 379.483 4.259 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000126829196 823961293 /nfs/dbraw/zinc/96/12/93/823961293.db2.gz GWSZMDQSVUJHHQ-ROUUACIJSA-N 1 0 383.458 4.125 20 0 GIADRO C[C@H](Cc1cn(C)c2ccc(F)cc12)[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000414339152 823961385 /nfs/dbraw/zinc/96/13/85/823961385.db2.gz FXLPPAJGNVLMIA-MRXNPFEDSA-N 1 0 387.543 4.265 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCC[C@H](CO)C1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000414349482 823962801 /nfs/dbraw/zinc/96/28/01/823962801.db2.gz YCIMSNDLRGYBNG-CMKODMSKSA-N 1 0 379.504 4.115 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)N[C@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000170757763 823963338 /nfs/dbraw/zinc/96/33/38/823963338.db2.gz IZFIAFLDKROQMI-KRWDZBQOSA-N 1 0 381.973 4.393 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCN(c2ccc(F)cc2)C1)c1ccc(OCc2nccn2C)cc1 ZINC000414352463 823963391 /nfs/dbraw/zinc/96/33/91/823963391.db2.gz UEFJMFKZZUCWQB-XLIONFOSSA-N 1 0 394.494 4.068 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)CSC[C@@H]3CCCCO3)cc2)C1 ZINC000170758709 823963894 /nfs/dbraw/zinc/96/38/94/823963894.db2.gz QSBHOSUFOBOLQG-XLIONFOSSA-N 1 0 376.566 4.159 20 0 GIADRO C[C@H]([NH2+]C1CCN(Cc2cccc(Br)c2)CC1)c1cccc(O)c1 ZINC000414355795 823964054 /nfs/dbraw/zinc/96/40/54/823964054.db2.gz XVHNFXYKLRSOOM-HNNXBMFYSA-N 1 0 389.337 4.470 20 0 GIADRO Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C[C@H](c1ccccc1)C(C)(C)CO ZINC000414357776 823964252 /nfs/dbraw/zinc/96/42/52/823964252.db2.gz DTFSTQDHDIGHAW-JOCHJYFZSA-N 1 0 381.495 4.212 20 0 GIADRO CS(=O)(=O)c1ccc(C[NH2+]CCCc2ccc(Cl)cc2Cl)s1 ZINC000414360102 823965047 /nfs/dbraw/zinc/96/50/47/823965047.db2.gz FZSHMCQOZUMJGG-UHFFFAOYSA-N 1 0 378.346 4.181 20 0 GIADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2sc(-c3ccccc3F)nc2C)C1 ZINC000575411612 823968475 /nfs/dbraw/zinc/96/84/75/823968475.db2.gz UIUBBEGPBKLNGY-HNNXBMFYSA-N 1 0 375.513 4.062 20 0 GIADRO O=C(C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000575441668 823971406 /nfs/dbraw/zinc/97/14/06/823971406.db2.gz HAOINHOXAIOHSZ-FUPPJEDESA-N 1 0 398.934 4.189 20 0 GIADRO CCOc1ccc(C[NH+]2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)cc1 ZINC000126876023 823971726 /nfs/dbraw/zinc/97/17/26/823971726.db2.gz SCNCFPOWEQUZPG-UHFFFAOYSA-N 1 0 384.495 4.061 20 0 GIADRO C[NH+](C)Cc1ccc(NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)c(F)c1 ZINC000414398303 823971789 /nfs/dbraw/zinc/97/17/89/823971789.db2.gz SUZYAMWUFZVOAJ-UHFFFAOYSA-N 1 0 391.295 4.136 20 0 GIADRO O=C(c1cccnc1SCc1ccc(F)cc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000126899028 823976293 /nfs/dbraw/zinc/97/62/93/823976293.db2.gz JUIFLFWZZNLWGK-GOSISDBHSA-N 1 0 399.535 4.071 20 0 GIADRO CCc1ccc(-c2nc(CC(=O)N3CCC[N@H+](CC4CCC4)CC3)cs2)cc1 ZINC000575568724 823977698 /nfs/dbraw/zinc/97/76/98/823977698.db2.gz AFHBKBHZNOEUPN-UHFFFAOYSA-N 1 0 397.588 4.249 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)N2CCC[C@@H](CCC(=O)OC(C)(C)C)C2)c1 ZINC000414421161 823979152 /nfs/dbraw/zinc/97/91/52/823979152.db2.gz YROVYKXXCOKCFP-KRWDZBQOSA-N 1 0 389.540 4.114 20 0 GIADRO Cc1c(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)cnn1-c1ccc(Cl)cc1 ZINC000575632030 823980221 /nfs/dbraw/zinc/98/02/21/823980221.db2.gz JGXQILGUEXTSPK-MRXNPFEDSA-N 1 0 386.927 4.427 20 0 GIADRO CCc1ncc(CNc2ccc(C[N@H+](C[C@@H]3CCCCO3)C(C)C)cc2)cn1 ZINC000414428174 823982927 /nfs/dbraw/zinc/98/29/27/823982927.db2.gz GJZAPAIPAGQFBI-QFIPXVFZSA-N 1 0 382.552 4.431 20 0 GIADRO Cc1c(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)cccc1OCC(F)(F)F ZINC000170831545 823983863 /nfs/dbraw/zinc/98/38/63/823983863.db2.gz WXUCDLKUUKANKL-UHFFFAOYSA-N 1 0 387.446 4.321 20 0 GIADRO CN(C(=O)Nc1cc(C(F)(F)F)ccn1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000192422250 823985035 /nfs/dbraw/zinc/98/50/35/823985035.db2.gz FJZCHXNJYXUCOD-UHFFFAOYSA-N 1 0 392.425 4.229 20 0 GIADRO O=C([C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CC=C(c2ccc(O)cc2)CC1 ZINC000170834464 823985443 /nfs/dbraw/zinc/98/54/43/823985443.db2.gz VUIHCLVQUBDQMT-OAQYLSRUSA-N 1 0 394.490 4.059 20 0 GIADRO Cc1ccc(C[NH2+]CCOc2c(Cl)cc(Br)cc2Cl)nn1 ZINC000414440767 823986660 /nfs/dbraw/zinc/98/66/60/823986660.db2.gz YBPBROKUDSAALI-UHFFFAOYSA-N 1 0 391.096 4.023 20 0 GIADRO COc1ccc(C(=O)N2CCN(c3cc[nH+]c4ccccc43)CC2)cc1C1CC1 ZINC000575757238 823987138 /nfs/dbraw/zinc/98/71/38/823987138.db2.gz MWNWTPJFJDIPNT-UHFFFAOYSA-N 1 0 387.483 4.083 20 0 GIADRO Cc1cc(C[NH+](C)C)ccc1NS(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000414457383 823988626 /nfs/dbraw/zinc/98/86/26/823988626.db2.gz JEZMHJRBLMWMQI-UHFFFAOYSA-N 1 0 390.402 4.015 20 0 GIADRO COc1cc([C@H](C)[NH2+]Cc2ccc(Oc3c(OC)cccc3OC)nc2)ccn1 ZINC000575762580 823988641 /nfs/dbraw/zinc/98/86/41/823988641.db2.gz YOHNIOPOHDCMPW-HNNXBMFYSA-N 1 0 395.459 4.146 20 0 GIADRO CC(=O)N1CCC([NH2+][C@@H](c2ccccc2)c2ccc(Br)cc2)CC1 ZINC000126957367 823989364 /nfs/dbraw/zinc/98/93/64/823989364.db2.gz ZHFJYVAZHAXZKJ-FQEVSTJZSA-N 1 0 387.321 4.139 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)Cc3ccc4c(c3)CCC4)cc2F)CC1 ZINC000170849864 823989929 /nfs/dbraw/zinc/98/99/29/823989929.db2.gz UFKVCIUQIDLJMH-UHFFFAOYSA-N 1 0 395.522 4.026 20 0 GIADRO C[NH+](C)CCCOC1CCN(C(=O)CCCc2csc3ccccc23)CC1 ZINC000126960122 823990041 /nfs/dbraw/zinc/99/00/41/823990041.db2.gz DNFSIBHTQADWQZ-UHFFFAOYSA-N 1 0 388.577 4.183 20 0 GIADRO CCO[C@H](C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1)c1ccccc1 ZINC000170849664 823990086 /nfs/dbraw/zinc/99/00/86/823990086.db2.gz SSXNPHNXUJNXSN-QFIPXVFZSA-N 1 0 399.510 4.072 20 0 GIADRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1ncc(Br)s1 ZINC000192435598 823992325 /nfs/dbraw/zinc/99/23/25/823992325.db2.gz SVBWYXFNFFBFBJ-UHFFFAOYSA-N 1 0 380.311 4.062 20 0 GIADRO COCC[C@@H](C)C[NH2+]Cc1cc(Br)ccc1OCc1ccccn1 ZINC000414480386 823992584 /nfs/dbraw/zinc/99/25/84/823992584.db2.gz JVOLBONRRYTKMS-OAHLLOKOSA-N 1 0 393.325 4.185 20 0 GIADRO Cc1ccc(NC(=O)C[C@H](C)N(CC[NH3+])c2ccc3ccccc3n2)c(C)c1 ZINC000414481587 823992635 /nfs/dbraw/zinc/99/26/35/823992635.db2.gz CEDCNDZTZAKHOK-SFHVURJKSA-N 1 0 376.504 4.034 20 0 GIADRO CCCNc1ccc(CNC(=O)NC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000192437292 823992936 /nfs/dbraw/zinc/99/29/36/823992936.db2.gz RXUULKZSGXRHGG-UHFFFAOYSA-N 1 0 394.563 4.015 20 0 GIADRO Cc1nc(COc2ccc(C[N@@H+]3C[C@@H](O)C[C@@H]3c3ccccc3)cc2)cs1 ZINC000414489464 823994306 /nfs/dbraw/zinc/99/43/06/823994306.db2.gz SMZWDYNZADEAKK-RBBKRZOGSA-N 1 0 380.513 4.338 20 0 GIADRO CCC[C@H](C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccccc1 ZINC000126986357 823995030 /nfs/dbraw/zinc/99/50/30/823995030.db2.gz BIPQEGWLMNJPCK-QHCPKHFHSA-N 1 0 380.532 4.413 20 0 GIADRO CC(C)(C)c1ccncc1C[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000414498578 823995775 /nfs/dbraw/zinc/99/57/75/823995775.db2.gz NAYSDOWXZINBDV-UHFFFAOYSA-N 1 0 377.282 4.160 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+]Cc2cc(Cl)ccc2OCC2CC2)cn1 ZINC000414506415 823997446 /nfs/dbraw/zinc/99/74/46/823997446.db2.gz SYPVVVAKBHVJGB-HRAATJIYSA-N 1 0 389.927 4.213 20 0 GIADRO Clc1cc(Br)cc(C[NH2+]Cc2ccccc2N2CCOCC2)c1 ZINC000414505569 823997600 /nfs/dbraw/zinc/99/76/00/823997600.db2.gz RBBZSDOSJJWHEJ-UHFFFAOYSA-N 1 0 395.728 4.229 20 0 GIADRO COc1ccc([C@H](Cc2ccccc2)[NH2+]CCc2cn3c(n2)CCCC3)cc1 ZINC000575792110 823997666 /nfs/dbraw/zinc/99/76/66/823997666.db2.gz VGIQGXXUFDQLBT-QHCPKHFHSA-N 1 0 375.516 4.344 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)cn1 ZINC000414508882 823997868 /nfs/dbraw/zinc/99/78/68/823997868.db2.gz YSHZYMCUQVRYHB-SUMWQHHRSA-N 1 0 387.833 4.443 20 0 GIADRO CCCOc1c(Br)cc(C[NH2+]C[C@@H]2C[C@H](C)O[C@H]2C)cc1OC ZINC000414508258 823997873 /nfs/dbraw/zinc/99/78/73/823997873.db2.gz AYFCKQKUYAXADP-YDHLFZDLSA-N 1 0 386.330 4.150 20 0 GIADRO COCC1CCC([NH2+]Cc2csc(COc3ccc(OC)cc3)n2)CC1 ZINC000414509544 823997926 /nfs/dbraw/zinc/99/79/26/823997926.db2.gz FVVJAOGHZFHYTI-UHFFFAOYSA-N 1 0 376.522 4.026 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+]Cc2ccc(-c3cccc(F)c3F)o2)cn1 ZINC000414509650 823997990 /nfs/dbraw/zinc/99/79/90/823997990.db2.gz ZXFJXAAPXCGZOC-LHSJRXKWSA-N 1 0 387.430 4.309 20 0 GIADRO C/C(=C\c1ccccc1OC(F)F)C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000575794033 823998208 /nfs/dbraw/zinc/99/82/08/823998208.db2.gz PYFSSOJWYCVYME-YBHKSSGVSA-N 1 0 379.369 4.327 20 0 GIADRO C/C(=C/c1ccccc1OC(F)F)C[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000575794029 823998251 /nfs/dbraw/zinc/99/82/51/823998251.db2.gz PYFSSOJWYCVYME-DMIOIOJGSA-N 1 0 379.369 4.327 20 0 GIADRO COc1ccccc1C(C)(C)C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000575794995 823998895 /nfs/dbraw/zinc/99/88/95/823998895.db2.gz NCBJUESUKQCUGH-OAQYLSRUSA-N 1 0 394.559 4.391 20 0 GIADRO CCSCc1ccc(C(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cc1 ZINC000575796427 823999263 /nfs/dbraw/zinc/99/92/63/823999263.db2.gz BUGPBKUFMLFKKA-PZJWPPBQSA-N 1 0 386.536 4.202 20 0 GIADRO CC(C)(CC[NH2+]Cc1ccc(Oc2cc(F)cc(F)c2)cc1)S(C)(=O)=O ZINC000414514835 823999257 /nfs/dbraw/zinc/99/92/57/823999257.db2.gz JQUYRLOUHAMEQU-UHFFFAOYSA-N 1 0 383.460 4.060 20 0 GIADRO C[C@H]([NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccc(Br)cn1 ZINC000575802750 824000406 /nfs/dbraw/zinc/00/04/06/824000406.db2.gz PVLRZZCHRDYBSW-HXPMCKFVSA-N 1 0 389.293 4.417 20 0 GIADRO COc1cc(Br)c(C[N@@H+]2CC3(CCOCC3)[C@H]2C(C)C)cc1OC ZINC000414521938 824000650 /nfs/dbraw/zinc/00/06/50/824000650.db2.gz FJGHKQCEFBULBF-GOSISDBHSA-N 1 0 398.341 4.103 20 0 GIADRO COc1ccc([C@@H](Cc2ccccc2)[NH2+]Cc2cnc3nc(C)cc(C)n23)cc1 ZINC000575808170 824000794 /nfs/dbraw/zinc/00/07/94/824000794.db2.gz LIHUBZOLNMWPAD-HSZRJFAPSA-N 1 0 386.499 4.428 20 0 GIADRO COc1ccc(OCc2ccccn2)c(C[N@@H+]2CC3(CCOCC3)[C@@H]2C(C)C)c1 ZINC000414523401 824001264 /nfs/dbraw/zinc/00/12/64/824001264.db2.gz GQEZIIKFUNAGSK-QHCPKHFHSA-N 1 0 396.531 4.306 20 0 GIADRO C[C@H](C[NH2+][C@H](c1ccccc1)C1(CO)CCOCC1)c1cc(F)cc(F)c1 ZINC000414522671 824001305 /nfs/dbraw/zinc/00/13/05/824001305.db2.gz CBKCQKXVZRUFGJ-IIBYNOLFSA-N 1 0 375.459 4.188 20 0 GIADRO O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)N(Cc1cccnc1)C1CC1 ZINC000170891782 824001797 /nfs/dbraw/zinc/00/17/97/824001797.db2.gz IZJDZLLPALQMTH-OAQYLSRUSA-N 1 0 398.938 4.246 20 0 GIADRO C[C@@]12CCCN1C[C@H](c1noc(C3(c4ccc(C(F)(F)F)cc4)CC3)n1)OC2 ZINC000575812696 824001937 /nfs/dbraw/zinc/00/19/37/824001937.db2.gz NXWSLILBNHBNGK-QAPCUYQASA-N 1 0 393.409 4.094 20 0 GIADRO CC(C)Sc1ccccc1NC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000127025089 824002734 /nfs/dbraw/zinc/00/27/34/824002734.db2.gz SCJXWWXSOAGUKT-OALUTQOASA-N 1 0 391.581 4.077 20 0 GIADRO COc1cc(C[NH2+][C@@H](C)C2(OC)CCC2)cc(Br)c1OC(F)F ZINC000414530488 824002887 /nfs/dbraw/zinc/00/28/87/824002887.db2.gz XRDXFYLANLEZPC-JTQLQIEISA-N 1 0 394.256 4.106 20 0 GIADRO CC(C)[N@@H+]1CCCC[C@@H]1CN1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000575820127 824003156 /nfs/dbraw/zinc/00/31/56/824003156.db2.gz QKYVJNHSVWZWDA-RTBURBONSA-N 1 0 381.358 4.085 20 0 GIADRO CC(C)(C)C(=O)N1CCC(C[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)CC1 ZINC000192468661 824003139 /nfs/dbraw/zinc/00/31/39/824003139.db2.gz PDXZDAFNWLHMCK-UHFFFAOYSA-N 1 0 388.527 4.005 20 0 GIADRO COCCNc1ccc(C[NH2+][C@@H](C)c2ccc(F)c(Br)c2)cc1 ZINC000127026806 824003187 /nfs/dbraw/zinc/00/31/87/824003187.db2.gz FVXKICAJAFRWOW-ZDUSSCGKSA-N 1 0 381.289 4.497 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cc3c(cc2Br)CCC3)C1 ZINC000192471055 824003932 /nfs/dbraw/zinc/00/39/32/824003932.db2.gz SSICPWJRXANHFS-AWEZNQCLSA-N 1 0 394.357 4.133 20 0 GIADRO Cc1ccc(-c2[nH]nc(NC(=O)c3oc4ccccc4c3C[NH+](C)C)c2C)o1 ZINC000192471118 824003969 /nfs/dbraw/zinc/00/39/69/824003969.db2.gz HBJULORTOGNUHE-UHFFFAOYSA-N 1 0 378.432 4.347 20 0 GIADRO COc1ccc(-c2nc(C[N@H+](C[C@@H](C)O)C3CCCCC3)cs2)cc1OC ZINC000170915110 824004140 /nfs/dbraw/zinc/00/41/40/824004140.db2.gz LCHHJTKEDYDNFG-OAHLLOKOSA-N 1 0 390.549 4.343 20 0 GIADRO CSc1ccccc1OC[C@H](O)C[N@H+](Cc1cnc2c(C)cccn12)C(C)C ZINC000414537915 824005168 /nfs/dbraw/zinc/00/51/68/824005168.db2.gz ADPQVMHLIFTIQE-LJQANCHMSA-N 1 0 399.560 4.015 20 0 GIADRO C[C@H](CC(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1cccc(F)c1 ZINC000127040908 824005679 /nfs/dbraw/zinc/00/56/79/824005679.db2.gz GWFVNUHWVAWKBZ-QGZVFWFLSA-N 1 0 384.495 4.162 20 0 GIADRO CC1CC[NH+]([C@H](CNC(=O)c2cc(-c3ccncc3)on2)c2cccs2)CC1 ZINC000127040904 824005792 /nfs/dbraw/zinc/00/57/92/824005792.db2.gz CIQJJQNNGAWAJE-GOSISDBHSA-N 1 0 396.516 4.001 20 0 GIADRO OCC1([C@@H]([NH2+]CCc2ccc(F)cc2Cl)c2ccccc2)CCOCC1 ZINC000414542399 824006304 /nfs/dbraw/zinc/00/63/04/824006304.db2.gz RNOUFTIGOFCWSC-FQEVSTJZSA-N 1 0 377.887 4.142 20 0 GIADRO OCC1([C@H]([NH2+]CCc2ccc(F)cc2Cl)c2ccccc2)CCOCC1 ZINC000414542400 824006498 /nfs/dbraw/zinc/00/64/98/824006498.db2.gz RNOUFTIGOFCWSC-HXUWFJFHSA-N 1 0 377.887 4.142 20 0 GIADRO COc1ccc(-c2nc(C)c([C@H](C)NC(=O)[C@@](C)([NH3+])c3ccccc3)s2)cc1 ZINC000192480724 824007224 /nfs/dbraw/zinc/00/72/24/824007224.db2.gz OUXFOIRLGWUSBO-NYHFZMIOSA-N 1 0 395.528 4.178 20 0 GIADRO CC1CC[NH+](Cc2cccc(CNC(=O)[C@H]3CCCc4cccnc43)c2)CC1 ZINC000192484035 824008498 /nfs/dbraw/zinc/00/84/98/824008498.db2.gz NCQRWZRYWLQSSQ-QFIPXVFZSA-N 1 0 377.532 4.050 20 0 GIADRO CC1CC[NH+](Cc2cccc(CNC(=O)[C@@H]3CCCc4cccnc43)c2)CC1 ZINC000192484026 824008569 /nfs/dbraw/zinc/00/85/69/824008569.db2.gz NCQRWZRYWLQSSQ-JOCHJYFZSA-N 1 0 377.532 4.050 20 0 GIADRO C[C@H](C[N@@H+]1CCC[C@H](N2CCCC2=O)CC1)c1cccc(Br)c1 ZINC000414550454 824008968 /nfs/dbraw/zinc/00/89/68/824008968.db2.gz NBCFKVJYWPFIJR-QAPCUYQASA-N 1 0 379.342 4.030 20 0 GIADRO CC(C)(C[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1)c1cccnc1 ZINC000414552923 824010360 /nfs/dbraw/zinc/01/03/60/824010360.db2.gz DUDIKSRLSICHTE-UHFFFAOYSA-N 1 0 385.309 4.097 20 0 GIADRO CSc1ccccc1OC[C@@H](O)C[N@H+](Cc1cnc2ccc(C)cn12)C(C)C ZINC000414555840 824011289 /nfs/dbraw/zinc/01/12/89/824011289.db2.gz MTUXWXXKCLWLHZ-IBGZPJMESA-N 1 0 399.560 4.015 20 0 GIADRO COc1ccc(F)c(C[NH2+]C[C@@H]2CCN(c3cccc(Br)c3)C2)c1 ZINC000575851617 824012522 /nfs/dbraw/zinc/01/25/22/824012522.db2.gz DVICEQDMFQBFNH-AWEZNQCLSA-N 1 0 393.300 4.213 20 0 GIADRO O=C(N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2)C1CC[NH+](C2CC2)CC1 ZINC000192500682 824012619 /nfs/dbraw/zinc/01/26/19/824012619.db2.gz KYMVBOSGMHGMFG-DEOSSOPVSA-N 1 0 390.527 4.092 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)Cc2cc(F)c(F)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000127079262 824012953 /nfs/dbraw/zinc/01/29/53/824012953.db2.gz XDPVDJKUEBSJLK-YJBOKZPZSA-N 1 0 390.449 4.158 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc2c(c1)sc(=O)n2C)c1ccc(OCC(F)(F)F)cc1 ZINC000192503018 824013106 /nfs/dbraw/zinc/01/31/06/824013106.db2.gz UHEUPUYEAWUTDO-GFCCVEGCSA-N 1 0 396.434 4.392 20 0 GIADRO O=C(C[NH2+][C@H](c1ccccc1)C1CC1)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000192504957 824013934 /nfs/dbraw/zinc/01/39/34/824013934.db2.gz LVHMTHYVTWWODD-WMZHIEFXSA-N 1 0 389.455 4.291 20 0 GIADRO COc1ccc([C@H](C)[NH2+]Cc2cc(F)cc3c2OCOC3)cc1Br ZINC000192505855 824014092 /nfs/dbraw/zinc/01/40/92/824014092.db2.gz IXCCSOHTOOJVCN-NSHDSACASA-N 1 0 396.256 4.314 20 0 GIADRO Fc1ccc(N2CC[C@@H]([NH2+]Cc3cccc(OCc4ccccn4)c3)C2)cc1 ZINC000414576442 824014925 /nfs/dbraw/zinc/01/49/25/824014925.db2.gz GGSKHFVVLRMVNO-HXUWFJFHSA-N 1 0 377.463 4.168 20 0 GIADRO Fc1ccc(N2CC[C@H]([NH2+]Cc3cccc(OCc4ccccn4)c3)C2)cc1 ZINC000414576441 824014970 /nfs/dbraw/zinc/01/49/70/824014970.db2.gz GGSKHFVVLRMVNO-FQEVSTJZSA-N 1 0 377.463 4.168 20 0 GIADRO Cc1cccnc1[C@H](NC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000127094269 824016243 /nfs/dbraw/zinc/01/62/43/824016243.db2.gz SMPSNKFRMJRURQ-RBBKRZOGSA-N 1 0 394.563 4.393 20 0 GIADRO COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H]2CCC[C@@H](CO)C2)cc1 ZINC000414589923 824016682 /nfs/dbraw/zinc/01/66/82/824016682.db2.gz XFYUWGCWYYWCOJ-WIYYLYMNSA-N 1 0 391.515 4.189 20 0 GIADRO Cc1cc(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c(C)n1[C@H](C)c1ccccc1 ZINC000127098924 824017023 /nfs/dbraw/zinc/01/70/23/824017023.db2.gz RFCUWEPUCURNRK-CTNGQTDRSA-N 1 0 379.548 4.272 20 0 GIADRO O=C([C@H](Sc1ccccc1)c1ccccc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000127101514 824017483 /nfs/dbraw/zinc/01/74/83/824017483.db2.gz KMOFJGSLYJMIKL-DENIHFKCSA-N 1 0 380.557 4.464 20 0 GIADRO O=C(c1csc(-c2ccc(Cl)cc2)n1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000127109056 824019140 /nfs/dbraw/zinc/01/91/40/824019140.db2.gz KCXWPUFSPVMLAF-CQSZACIVSA-N 1 0 375.925 4.021 20 0 GIADRO O=C(c1csc(-c2ccc(Cl)cc2)n1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000127109321 824019214 /nfs/dbraw/zinc/01/92/14/824019214.db2.gz KCXWPUFSPVMLAF-AWEZNQCLSA-N 1 0 375.925 4.021 20 0 GIADRO COc1ccc(OC(F)F)c(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000575894694 824022229 /nfs/dbraw/zinc/02/22/29/824022229.db2.gz ASXPRMDZPOPMKC-UHFFFAOYSA-N 1 0 376.403 4.145 20 0 GIADRO COc1ccc(-c2ccc(CNC(=O)N3CCC([C@H]4CCC[NH2+]4)CC3)s2)cc1 ZINC000575900129 824023731 /nfs/dbraw/zinc/02/37/31/824023731.db2.gz IIOPKJDAZFVHRL-HXUWFJFHSA-N 1 0 399.560 4.097 20 0 GIADRO CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)c1 ZINC000414695086 824024759 /nfs/dbraw/zinc/02/47/59/824024759.db2.gz OUWXRLQLTWWQND-HXUWFJFHSA-N 1 0 399.510 4.167 20 0 GIADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)C1 ZINC000414712688 824025636 /nfs/dbraw/zinc/02/56/36/824025636.db2.gz NVXOYXVIVFYDSK-UWVGGRQHSA-N 1 0 394.235 4.059 20 0 GIADRO COCc1ccc(NC(=O)NC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000192544491 824026797 /nfs/dbraw/zinc/02/67/97/824026797.db2.gz UTRKLVMQLWZPRE-ROUUACIJSA-N 1 0 381.520 4.111 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)C3(C(F)(F)F)CCCC3)c(C)c2)CC1 ZINC000414722469 824027063 /nfs/dbraw/zinc/02/70/63/824027063.db2.gz FVPLAFKBIHTRMF-UHFFFAOYSA-N 1 0 383.458 4.198 20 0 GIADRO CCOc1ccc(Oc2ccc(NC(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)cc2)cc1 ZINC000414723153 824027213 /nfs/dbraw/zinc/02/72/13/824027213.db2.gz HICXYJNZVZWPLN-KNXBSLHKSA-N 1 0 395.503 4.469 20 0 GIADRO Cc1cc(C[NH2+]Cc2c[nH]nc2-c2cccc(Cl)c2)cc(N2CCCC2)n1 ZINC000575910852 824027391 /nfs/dbraw/zinc/02/73/91/824027391.db2.gz LMCVOSLIRNQUHP-UHFFFAOYSA-N 1 0 381.911 4.324 20 0 GIADRO CO[C@@H]1CCN(C(=O)Nc2ccc(Sc3ccc(C)cc3C)cc2)[C@@H](C[NH3+])C1 ZINC000414723265 824027415 /nfs/dbraw/zinc/02/74/15/824027415.db2.gz IAAUSVYASIXHGT-RTBURBONSA-N 1 0 399.560 4.425 20 0 GIADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)C1 ZINC000414723515 824027521 /nfs/dbraw/zinc/02/75/21/824027521.db2.gz CEVDVGMIXBFVLP-ZBFHGGJFSA-N 1 0 380.517 4.088 20 0 GIADRO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N(Cc1ccc(C(C)C)cc1)C1CC1 ZINC000414724603 824027890 /nfs/dbraw/zinc/02/78/90/824027890.db2.gz KBYJNBAHZCAGON-UHFFFAOYSA-N 1 0 393.531 4.049 20 0 GIADRO COc1ccc(Oc2ccc(Cl)cc2NC(=O)N2CCC[C@@H]([NH3+])C2)cc1 ZINC000414726462 824028372 /nfs/dbraw/zinc/02/83/72/824028372.db2.gz NXXCIVKHLCYBIW-CQSZACIVSA-N 1 0 375.856 4.096 20 0 GIADRO CCOc1ccc(Oc2ccc(NC(=O)N3CCC([C@H](C)[NH3+])CC3)cc2)cc1 ZINC000414727160 824028789 /nfs/dbraw/zinc/02/87/89/824028789.db2.gz OQSDGQJLOSOCFS-INIZCTEOSA-N 1 0 383.492 4.469 20 0 GIADRO [NH3+]CC1CCN(C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)CC1 ZINC000414726935 824028830 /nfs/dbraw/zinc/02/88/30/824028830.db2.gz MHIMKWZAIOGJIR-UHFFFAOYSA-N 1 0 380.517 4.090 20 0 GIADRO C[NH2+]CCC1CCN(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)CC1 ZINC000414728266 824028851 /nfs/dbraw/zinc/02/88/51/824028851.db2.gz OEMVMXREGUTOAS-UHFFFAOYSA-N 1 0 398.473 4.159 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)Nc2ncc(Cc3ccc(C(F)(F)F)cc3)s2)CC[NH2+]1 ZINC000414729018 824029111 /nfs/dbraw/zinc/02/91/11/824029111.db2.gz DUIOKYSOGXEWLU-BXUZGUMPSA-N 1 0 398.454 4.015 20 0 GIADRO C[NH2+]CCC1CCN(C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)CC1 ZINC000414729351 824029131 /nfs/dbraw/zinc/02/91/31/824029131.db2.gz DXFPMGZUPIWJDF-UHFFFAOYSA-N 1 0 392.956 4.241 20 0 GIADRO C[C@H](OC[C@@H](O)C[NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1)c1ccc(Cl)cc1 ZINC000575917911 824029544 /nfs/dbraw/zinc/02/95/44/824029544.db2.gz ZAAWNRNQVCSTBD-ZIPUMODLSA-N 1 0 389.923 4.288 20 0 GIADRO CCCN(C(=O)C(=O)Nc1ccccc1C[NH2+]C)[C@@H](C)c1cc2ccccc2o1 ZINC000414732450 824029525 /nfs/dbraw/zinc/02/95/25/824029525.db2.gz BRFSZCGJRMKXIM-INIZCTEOSA-N 1 0 393.487 4.091 20 0 GIADRO O=C(CCC1CC[NH2+]CC1)Nc1nc(-c2ccccc2)c(Br)s1 ZINC000575920558 824030199 /nfs/dbraw/zinc/03/01/99/824030199.db2.gz BNOBQAXJSGVYKL-UHFFFAOYSA-N 1 0 394.338 4.291 20 0 GIADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)C1 ZINC000414736684 824030712 /nfs/dbraw/zinc/03/07/12/824030712.db2.gz YKHTURURKSYSJM-NVXWUHKLSA-N 1 0 380.517 4.136 20 0 GIADRO C[C@H]1CCN(C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)[C@H](C[NH3+])C1 ZINC000414735881 824030741 /nfs/dbraw/zinc/03/07/41/824030741.db2.gz XOITWVKMUNLQLE-YJBOKZPZSA-N 1 0 394.544 4.478 20 0 GIADRO CC[NH+](CC)CCOc1ccc(NC(=O)N(C)C2CCC(F)(F)CC2)cc1 ZINC000575930843 824031728 /nfs/dbraw/zinc/03/17/28/824031728.db2.gz NEWHZRVIWIREMN-UHFFFAOYSA-N 1 0 383.483 4.449 20 0 GIADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)C1 ZINC000414742790 824031994 /nfs/dbraw/zinc/03/19/94/824031994.db2.gz UFWYUECJIQIAIG-UKRRQHHQSA-N 1 0 378.929 4.026 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)[C@H]1n1cccn1 ZINC000575940778 824033061 /nfs/dbraw/zinc/03/30/61/824033061.db2.gz PJTIUNXHGATILZ-TUNNFDKTSA-N 1 0 383.442 4.259 20 0 GIADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)C1 ZINC000414753616 824033367 /nfs/dbraw/zinc/03/33/67/824033367.db2.gz WOESHUADBSBRPW-ZWNOBZJWSA-N 1 0 384.427 4.078 20 0 GIADRO CC[C@@H](c1ccccc1OC)N(C)C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000575945259 824033876 /nfs/dbraw/zinc/03/38/76/824033876.db2.gz TYDIXFVSAYUHBP-FQEVSTJZSA-N 1 0 385.508 4.251 20 0 GIADRO C[C@H]1CN(C(=O)c2cccc(NC(=O)C3CCCCC3)c2)CC[N@@H+](C2CCC2)C1 ZINC000575943936 824033916 /nfs/dbraw/zinc/03/39/16/824033916.db2.gz WCQBPQNLLPYZNL-GOSISDBHSA-N 1 0 397.563 4.152 20 0 GIADRO CO[C@H]1CCN(C(=O)Nc2ccccc2Oc2ccccc2Cl)[C@H](C[NH3+])C1 ZINC000414763773 824034362 /nfs/dbraw/zinc/03/43/62/824034362.db2.gz NMFMHKKXXABVJG-GJZGRUSLSA-N 1 0 389.883 4.102 20 0 GIADRO CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000171006541 824034548 /nfs/dbraw/zinc/03/45/48/824034548.db2.gz ITFFFPNPTWVKGY-OAQYLSRUSA-N 1 0 397.567 4.023 20 0 GIADRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)Nc1ccccc1OCC(F)(F)F ZINC000414767028 824034640 /nfs/dbraw/zinc/03/46/40/824034640.db2.gz JDFVUEDUEBBCTD-HNNXBMFYSA-N 1 0 381.398 4.012 20 0 GIADRO C[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H](CC1CCCCC1)c1ccccc1 ZINC000414783092 824035782 /nfs/dbraw/zinc/03/57/82/824035782.db2.gz GBVKQWOVUPMRIC-JOCHJYFZSA-N 1 0 393.531 4.172 20 0 GIADRO [NH3+][C@@H]1CN(C(=O)Nc2cccc(OC(F)(F)F)c2)CC[C@H]1c1ccc(F)cc1 ZINC000414787199 824036532 /nfs/dbraw/zinc/03/65/32/824036532.db2.gz VJAGFRXMNYMTBP-DLBZAZTESA-N 1 0 397.372 4.073 20 0 GIADRO C[C@H]1C[C@H](NC(=O)Nc2ccc(OC(F)F)c(Cc3ccccc3)c2)CC[NH2+]1 ZINC000414789470 824036594 /nfs/dbraw/zinc/03/65/94/824036594.db2.gz OOOJCSKRZSEVKZ-KBXCAEBGSA-N 1 0 389.446 4.141 20 0 GIADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1 ZINC000414794387 824036848 /nfs/dbraw/zinc/03/68/48/824036848.db2.gz SXVRUBXJKQZYGH-GOEBONIOSA-N 1 0 389.446 4.080 20 0 GIADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1 ZINC000414794395 824037008 /nfs/dbraw/zinc/03/70/08/824037008.db2.gz SXVRUBXJKQZYGH-ZBFHGGJFSA-N 1 0 389.446 4.080 20 0 GIADRO [NH3+]CCC[C@@H](NC(=O)Nc1cc2c(cc1Cl)OCCCO2)c1ccccc1 ZINC000414798538 824037357 /nfs/dbraw/zinc/03/73/57/824037357.db2.gz XDJMMFYNVMYWNK-MRXNPFEDSA-N 1 0 389.883 4.103 20 0 GIADRO COc1ccc(OCc2nc(CNCc3ccc([C@@H](C)[NH3+])cc3)cs2)cc1 ZINC000414804979 824037825 /nfs/dbraw/zinc/03/78/25/824037825.db2.gz FXHMBPMSNXFGLD-OAHLLOKOSA-N 1 0 383.517 4.040 20 0 GIADRO Cc1oc(-c2ccsc2)nc1CC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000171019971 824039405 /nfs/dbraw/zinc/03/94/05/824039405.db2.gz QZGXUFZHALHLND-UHFFFAOYSA-N 1 0 395.528 4.166 20 0 GIADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)Nc2cc(C(C)(C)C)nn2-c2cccc(Cl)c2)C1 ZINC000414827310 824040031 /nfs/dbraw/zinc/04/00/31/824040031.db2.gz BBQRZUXOONKVIV-KGLIPLIRSA-N 1 0 389.931 4.024 20 0 GIADRO CCCc1noc2nc(C3CC3)cc(C(=O)N3CCC[C@@H]3C[NH+]3CCCCC3)c12 ZINC000171042612 824045258 /nfs/dbraw/zinc/04/52/58/824045258.db2.gz VHJZIQUDLITHHK-QGZVFWFLSA-N 1 0 396.535 4.143 20 0 GIADRO COc1ccc([C@H]2CC[NH2+]C[C@H]2NCc2csc(-c3ccsc3)n2)cc1 ZINC000414891185 824046292 /nfs/dbraw/zinc/04/62/92/824046292.db2.gz VLKDHJKOYDGUMT-RTBURBONSA-N 1 0 385.558 4.116 20 0 GIADRO [NH3+][C@H](CNCc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)C1CC1 ZINC000414893627 824046785 /nfs/dbraw/zinc/04/67/85/824046785.db2.gz RXKHTOVRBYCQOT-GOSISDBHSA-N 1 0 378.303 4.073 20 0 GIADRO CCC(=O)Nc1ccc(Cl)c(NC(=O)NCC[NH2+]C2CCCCCC2)c1 ZINC000414893405 824046792 /nfs/dbraw/zinc/04/67/92/824046792.db2.gz REXIGZHDZWZFLU-UHFFFAOYSA-N 1 0 380.920 4.122 20 0 GIADRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000414895091 824047153 /nfs/dbraw/zinc/04/71/53/824047153.db2.gz VWZDZBRXULGSFL-IRXDYDNUSA-N 1 0 395.507 4.230 20 0 GIADRO CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]Cc1ccc(N3CCCC3=O)cc1)CCC2 ZINC000192621681 824047805 /nfs/dbraw/zinc/04/78/05/824047805.db2.gz DWTGRCCTFNIIKC-GOSISDBHSA-N 1 0 396.487 4.059 20 0 GIADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1ncc(-c2cccc(Br)c2)o1 ZINC000576013893 824049921 /nfs/dbraw/zinc/04/99/21/824049921.db2.gz HXOXFGMLKINNFR-PBHICJAKSA-N 1 0 390.325 4.163 20 0 GIADRO CC(C)C(=O)NC[C@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000171058754 824050570 /nfs/dbraw/zinc/05/05/70/824050570.db2.gz JJCWUPWWBDXZDE-JOCHJYFZSA-N 1 0 380.532 4.250 20 0 GIADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)Cc1csc(-c2cccc(C)c2)n1)c1ccco1 ZINC000576018110 824050524 /nfs/dbraw/zinc/05/05/24/824050524.db2.gz NGGVFQKBWRBEMM-LPHOPBHVSA-N 1 0 397.544 4.500 20 0 GIADRO Cc1cc(C)n(-c2ccc(NC(=O)N[C@@H](CCC[NH3+])c3ccccc3)cc2F)n1 ZINC000414946452 824052978 /nfs/dbraw/zinc/05/29/78/824052978.db2.gz JOICROSTSKAZTB-FQEVSTJZSA-N 1 0 395.482 4.230 20 0 GIADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cccc(Cl)c1C ZINC000192640389 824053660 /nfs/dbraw/zinc/05/36/60/824053660.db2.gz WNHQKIZQBHNRPG-UHFFFAOYSA-N 1 0 387.911 4.051 20 0 GIADRO C[C@@H](c1cccc(F)c1)[NH+]1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1 ZINC000171065452 824053611 /nfs/dbraw/zinc/05/36/11/824053611.db2.gz NLMRAXVINIHTEV-LSDHHAIUSA-N 1 0 396.462 4.201 20 0 GIADRO Cc1ccc([C@@H]2C[C@H]2NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)cc1 ZINC000576034690 824054985 /nfs/dbraw/zinc/05/49/85/824054985.db2.gz YXHVZJCJBCMQEZ-XZOQPEGZSA-N 1 0 377.532 4.157 20 0 GIADRO CC(C)C[C@@](C)(C[NH3+])NC(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 ZINC000414966898 824055213 /nfs/dbraw/zinc/05/52/13/824055213.db2.gz AUMRBMNRNSFCOO-IBGZPJMESA-N 1 0 392.887 4.070 20 0 GIADRO CCC(CC)(C[NH3+])NC(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1 ZINC000414968674 824055768 /nfs/dbraw/zinc/05/57/68/824055768.db2.gz SFTRXDQBYRUQII-UHFFFAOYSA-N 1 0 394.947 4.042 20 0 GIADRO CCOc1c(Br)cc(C[NH2+]Cc2cc(C)cc(N)c2)cc1OC ZINC000414970503 824055987 /nfs/dbraw/zinc/05/59/87/824055987.db2.gz UXKWDYFRLHRNAG-UHFFFAOYSA-N 1 0 379.298 4.037 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1csc2c1CC[C@@H](C)C2 ZINC000006912283 209128262 /nfs/dbraw/zinc/12/82/62/209128262.db2.gz IHXXNKSCUSGDOC-OAHLLOKOSA-N 1 0 383.561 4.185 20 0 GIADRO NC(=O)[C@@H]([NH2+]C[C@H]1CCO[C@@H]1c1ccccc1)c1cccc(Br)c1 ZINC000328614273 206233953 /nfs/dbraw/zinc/23/39/53/206233953.db2.gz AEUIDTZQVQZZOP-BPQIPLTHSA-N 1 0 389.293 4.393 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)Cc1nc(-c2ccccc2)no1)c1ncc(Br)s1 ZINC000359865901 206265499 /nfs/dbraw/zinc/26/54/99/206265499.db2.gz DYUJYUZGMVQPJU-WDEREUQCSA-N 1 0 393.310 4.237 20 0 GIADRO COc1ccc([C@@H](O)[C@H]2CCC[N@@H+]2Cc2nnc(-c3ccc(Cl)cc3)o2)cc1 ZINC000359979797 206276058 /nfs/dbraw/zinc/27/60/58/206276058.db2.gz VGMFHWXZIVCCLR-UYAOXDASSA-N 1 0 399.878 4.097 20 0 GIADRO O=c1c2ccccc2nc(SCC[NH+]2CCCCC2)n1Cc1ccccc1 ZINC000000892197 206332368 /nfs/dbraw/zinc/33/23/68/206332368.db2.gz JDJGHAKTBMEGNW-UHFFFAOYSA-N 1 0 379.529 4.023 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000026369238 207313677 /nfs/dbraw/zinc/31/36/77/207313677.db2.gz BOEFOYKDLZXFHU-LSDHHAIUSA-N 1 0 385.895 4.145 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNc1nc(N(C)C)cc(C(F)(F)F)n1 ZINC000071954800 207965183 /nfs/dbraw/zinc/96/51/83/207965183.db2.gz IFSUZALGBUMPLF-UHFFFAOYSA-N 1 0 381.446 4.014 20 0 GIADRO Cc1sc2nc(CN3CCCCC3)nc(N3CCC4(CC([NH3+])C4)CC3)c2c1C ZINC001164387215 718802238 /nfs/dbraw/zinc/80/22/38/718802238.db2.gz JBGOYEQORSORSD-UHFFFAOYSA-N 1 0 399.608 4.002 20 0 GIADRO Cc1cc(C(F)(F)N2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)cc(Cl)n1 ZINC001164387819 718813983 /nfs/dbraw/zinc/81/39/83/718813983.db2.gz ITWJTQJZLWRBFT-ZDUSSCGKSA-N 1 0 383.792 4.099 20 0 GIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3c4ccccc4NC(=O)[C@@H]3C2)nc1 ZINC001164400899 718858974 /nfs/dbraw/zinc/85/89/74/718858974.db2.gz AQTKMXMYIPXOGC-TUNNFDKTSA-N 1 0 390.531 4.191 20 0 GIADRO Fc1cccc2c(Cl)nc(C(F)(F)N3CCCC[C@@H]3C3CC[NH2+]CC3)nc12 ZINC001164416961 718891958 /nfs/dbraw/zinc/89/19/58/718891958.db2.gz GQOVUSZMGYJOOX-OAHLLOKOSA-N 1 0 398.860 4.326 20 0 GIADRO Cc1cc(Cl)ncc1C(F)(F)N1CC[C@@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164620731 719045633 /nfs/dbraw/zinc/04/56/33/719045633.db2.gz GUCCFJZGBINVDI-PKOBYXMFSA-N 1 0 377.866 4.172 20 0 GIADRO Clc1nnc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c2ccccc12 ZINC001164622706 719061301 /nfs/dbraw/zinc/06/13/01/719061301.db2.gz IQFLDJZTVGLLKS-FXAWDEMLSA-N 1 0 378.907 4.384 20 0 GIADRO CC(C)(C)OC(=O)c1ccnc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001164621042 719061422 /nfs/dbraw/zinc/06/14/22/719061422.db2.gz GMPBNJILWTWMKT-NHCUHLMSSA-N 1 0 393.531 4.138 20 0 GIADRO Clc1cccc2nc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)ncc12 ZINC001164628522 719082369 /nfs/dbraw/zinc/08/23/69/719082369.db2.gz SFAUJNAWCALXER-LAUBAEHRSA-N 1 0 378.907 4.384 20 0 GIADRO c1ccc(C[N@H+]2C[C@H]3CCCN(c4ccc(COC5CCC5)cn4)[C@@H]3C2)cc1 ZINC001164628981 719108953 /nfs/dbraw/zinc/10/89/53/719108953.db2.gz PJTRRPFZPFQKMK-FYYLOGMGSA-N 1 0 377.532 4.252 20 0 GIADRO CC(C)C[NH+]1CCN(C(F)(F)c2cnc(Cl)c(-c3ccncc3)c2)CC1 ZINC001164657687 719339353 /nfs/dbraw/zinc/33/93/53/719339353.db2.gz YRPUBHYLXDEEGD-UHFFFAOYSA-N 1 0 380.870 4.120 20 0 GIADRO CC(C)N(C)Cc1nn(-c2nc(Cl)ccc2-c2ccccc2)c2c1CC[NH2+]C2 ZINC001164681094 719620811 /nfs/dbraw/zinc/62/08/11/719620811.db2.gz AFUQLKMKCYHGLY-UHFFFAOYSA-N 1 0 395.938 4.074 20 0 GIADRO Cc1nc(C[N@H+]2CCCC23CCN(c2cccc(OC(C)C)n2)CC3)cs1 ZINC001164691994 719809528 /nfs/dbraw/zinc/80/95/28/719809528.db2.gz DTMULMULDXMTAC-UHFFFAOYSA-N 1 0 386.565 4.269 20 0 GIADRO Cc1nc(C[N@H+]2CCCC23CCN(c2cc(CC(C)C)ncn2)CC3)cs1 ZINC001164691563 719814538 /nfs/dbraw/zinc/81/45/38/719814538.db2.gz HJPJKJHDNRLGRX-UHFFFAOYSA-N 1 0 385.581 4.075 20 0 GIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nccc3ccc(Cl)cc31)C2 ZINC001164806438 720098971 /nfs/dbraw/zinc/09/89/71/720098971.db2.gz CTUCJTWVFGELMA-GCJKJVERSA-N 1 0 385.939 4.073 20 0 GIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nccc3cccc(Cl)c31)C2 ZINC001164814466 720121765 /nfs/dbraw/zinc/12/17/65/720121765.db2.gz SZQXCMGCBAMLBQ-GCJKJVERSA-N 1 0 385.939 4.073 20 0 GIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(C)c3ccc(Cl)cc3n1)C2 ZINC001164815874 720138979 /nfs/dbraw/zinc/13/89/79/720138979.db2.gz WRMRUKJHIYYAGM-JPYJTQIMSA-N 1 0 399.966 4.381 20 0 GIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(C)c3ccc(C)c(C)c3n1)C2 ZINC001164815069 720173817 /nfs/dbraw/zinc/17/38/17/720173817.db2.gz HVLJEFAIKHCHKQ-BWKNWUBXSA-N 1 0 393.575 4.345 20 0 GIADRO Cc1ccc2c(c1)cc(Cl)nc2N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164727748 720414363 /nfs/dbraw/zinc/41/43/63/720414363.db2.gz FAYMGVOTKNWQLM-VQTJNVASSA-N 1 0 378.907 4.445 20 0 GIADRO Cc1nc(C2CCCCC2)cc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164734745 720425972 /nfs/dbraw/zinc/42/59/72/720425972.db2.gz UAMHRIRHQXMHDH-FCHUYYIVSA-N 1 0 377.536 4.081 20 0 GIADRO Cc1nc(C2CCCCC2)cc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164734746 720426385 /nfs/dbraw/zinc/42/63/85/720426385.db2.gz UAMHRIRHQXMHDH-FGZHOGPDSA-N 1 0 377.536 4.081 20 0 GIADRO Cc1ccc(Cl)nc1C(F)(F)N([C@@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001164736183 720545266 /nfs/dbraw/zinc/54/52/66/720545266.db2.gz VEJBUPICYQOOFO-AWEZNQCLSA-N 1 0 387.902 4.104 20 0 GIADRO CSCc1ccnc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164841670 720722523 /nfs/dbraw/zinc/72/25/23/720722523.db2.gz VLQHGVRSBWPFAS-OAQYLSRUSA-N 1 0 397.588 4.205 20 0 GIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3OCCC[C@@]3(COC)C2)nc1 ZINC001164847021 720829363 /nfs/dbraw/zinc/82/93/63/720829363.db2.gz HOYBMFAQRMOVDQ-XPNTWCBSSA-N 1 0 387.568 4.041 20 0 GIADRO Cc1ccc(Cl)nc1C(F)(F)N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164856349 720976754 /nfs/dbraw/zinc/97/67/54/720976754.db2.gz BRYMDHGMOWMLTE-AWEZNQCLSA-N 1 0 397.901 4.206 20 0 GIADRO CSc1cnc(N2CCC3(CC2)CC[NH+](Cc2ccc(C)cc2)CC3)nc1 ZINC001164759888 721044464 /nfs/dbraw/zinc/04/44/64/721044464.db2.gz RLQUATZBSMPNJF-UHFFFAOYSA-N 1 0 382.577 4.390 20 0 GIADRO c1ccc([C@H]2CO[C@@]3(C2)CCCN(c2ncccc2C[NH+]2CCCC2)C3)cc1 ZINC001164774264 721061582 /nfs/dbraw/zinc/06/15/82/721061582.db2.gz VTGSCYFHDISRPU-ISKFKSNPSA-N 1 0 377.532 4.221 20 0 GIADRO Fc1ccc(-c2nnc(N3CC4(C3)CC[N@H+](CC3CC3)C4)c3ccccc32)cc1 ZINC001164768776 721299140 /nfs/dbraw/zinc/29/91/40/721299140.db2.gz GIZQQJGUBOYDMP-UHFFFAOYSA-N 1 0 388.490 4.358 20 0 GIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@@H](CCN3C(=O)C(C)C)C2)nc1 ZINC001164888195 721467354 /nfs/dbraw/zinc/46/73/54/721467354.db2.gz FDQYJQNXWJNIIQ-BHDDXSALSA-N 1 0 398.595 4.102 20 0 GIADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN([C@@H](F)c1ccnc(Cl)c1)CC2 ZINC001164792263 721495425 /nfs/dbraw/zinc/49/54/25/721495425.db2.gz LXFXTZKMACUHOU-HXUWFJFHSA-N 1 0 388.918 4.475 20 0 GIADRO Cc1csc2ncnc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c12 ZINC001165019631 721799134 /nfs/dbraw/zinc/79/91/34/721799134.db2.gz DKDZUCGRNFEXGZ-QXAKKESOSA-N 1 0 393.560 4.132 20 0 GIADRO Cc1nc2ccsc2c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165024582 721799306 /nfs/dbraw/zinc/79/93/06/721799306.db2.gz MFRMXJNBCYIFBM-ILZDJORESA-N 1 0 393.560 4.132 20 0 GIADRO Cc1nc(C(C)C)cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165025797 721802076 /nfs/dbraw/zinc/80/20/76/721802076.db2.gz OYCGETGZFUSMNX-DWLFOUALSA-N 1 0 379.552 4.040 20 0 GIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(Cl)nc(C4CC4)n3)C[C@@H]21 ZINC001165018731 721803626 /nfs/dbraw/zinc/80/36/26/721803626.db2.gz CGEQEEKAAQTZSF-YTQUADARSA-N 1 0 397.954 4.139 20 0 GIADRO Cc1cccc2ncnc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c12 ZINC001165027655 721813971 /nfs/dbraw/zinc/81/39/71/721813971.db2.gz VKWKYRLWMQPCGY-RCZSKKKRSA-N 1 0 387.531 4.070 20 0 GIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cccc(OC(C)(C)C)n3)C[C@@H]21 ZINC001165029659 721815865 /nfs/dbraw/zinc/81/58/65/721815865.db2.gz ZYMDKRYBLAVIBM-HLAWJBBLSA-N 1 0 394.563 4.391 20 0 GIADRO Cc1cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc2[nH]ccc21 ZINC001165028293 721817852 /nfs/dbraw/zinc/81/78/52/721817852.db2.gz XHBACILAOADBKU-WMQCIHAUSA-N 1 0 375.520 4.003 20 0 GIADRO Cc1csc2cnc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)nc12 ZINC001165020757 721821362 /nfs/dbraw/zinc/82/13/62/721821362.db2.gz DPFFFOUQJVRTTC-YTQUADARSA-N 1 0 393.560 4.132 20 0 GIADRO Cc1cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc(C(C)C)n1 ZINC001165021538 721823654 /nfs/dbraw/zinc/82/36/54/721823654.db2.gz GAOMDCVNAMOKKL-JBACZVJFSA-N 1 0 379.552 4.040 20 0 GIADRO CCSc1ccnc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165021403 721829264 /nfs/dbraw/zinc/82/92/64/721829264.db2.gz FIFFIDWLQDWICF-IOMROCGXSA-N 1 0 382.577 4.326 20 0 GIADRO CCc1nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c(Cl)nc1C ZINC001165029616 721831228 /nfs/dbraw/zinc/83/12/28/721831228.db2.gz XGZXAKDXBHYJEQ-QRFRQXIXSA-N 1 0 399.970 4.133 20 0 GIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(C)cc(C(C)C)n2)CC1 ZINC001165030999 721845107 /nfs/dbraw/zinc/84/51/07/721845107.db2.gz OAMBBRMYHMGKNH-UHFFFAOYSA-N 1 0 398.551 4.026 20 0 GIADRO COc1ccc(-c2csc3ncnc(N4CC[NH+](C5CCCC5)CC4)c23)cc1 ZINC000045026677 721859628 /nfs/dbraw/zinc/85/96/28/721859628.db2.gz AXDUDNJUHOGBNK-UHFFFAOYSA-N 1 0 394.544 4.432 20 0 GIADRO C[NH+](C)[C@@H]1CCCN(C(F)(F)c2cc(-c3ccccc3F)nnc2Cl)C1 ZINC001165036614 721899612 /nfs/dbraw/zinc/89/96/12/721899612.db2.gz IFGUIYDNQLLKKA-GFCCVEGCSA-N 1 0 384.833 4.011 20 0 GIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(Cl)ccc4C)CC3)C2)cc1 ZINC001164939952 721920447 /nfs/dbraw/zinc/92/04/47/721920447.db2.gz XCLMBEAEEYFFRU-UHFFFAOYSA-N 1 0 385.939 4.223 20 0 GIADRO CN(CC1CC[NH+](C)CC1)C(F)(F)c1cc(-c2ccc(F)cc2)nnc1Cl ZINC001165043763 721939433 /nfs/dbraw/zinc/93/94/33/721939433.db2.gz FWXSYSJAEKWRRK-UHFFFAOYSA-N 1 0 398.860 4.259 20 0 GIADRO C[NH+](C)CC1CCN(C(F)(F)c2cc(-c3cccs3)nnc2Cl)CC1 ZINC001165045040 721949430 /nfs/dbraw/zinc/94/94/30/721949430.db2.gz MIRXCGRFSOGMBN-UHFFFAOYSA-N 1 0 386.899 4.181 20 0 GIADRO CCOC(=O)c1c(Cl)cc(C)nc1N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001165045863 721965655 /nfs/dbraw/zinc/96/56/55/721965655.db2.gz CIZPQUSDXPXTRV-INIZCTEOSA-N 1 0 379.932 4.065 20 0 GIADRO COCc1cc(N2CCCC[C@H]2CC[NH+]2CCCC2)nc(-c2ccccc2)n1 ZINC001165046738 721966010 /nfs/dbraw/zinc/96/60/10/721966010.db2.gz NVRXVTCXUKOVHK-NRFANRHFSA-N 1 0 380.536 4.135 20 0 GIADRO FC(F)(c1nc(Cl)ncc1Cl)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001165049713 721967396 /nfs/dbraw/zinc/96/73/96/721967396.db2.gz VTVZUDMBWGUSGF-GFCCVEGCSA-N 1 0 379.282 4.173 20 0 GIADRO CCOC(=O)c1cc(Cl)nc(N2CCCC[C@H]2CC[NH+]2CCCC2)c1C ZINC001165047231 721969700 /nfs/dbraw/zinc/96/97/00/721969700.db2.gz JUSLZDUBEAUMPW-INIZCTEOSA-N 1 0 379.932 4.065 20 0 GIADRO CC[NH+](CC)C1CCN(c2ncnc3c2c(C)c(C)n3Cc2ccccc2)CC1 ZINC001165053017 722005664 /nfs/dbraw/zinc/00/56/64/722005664.db2.gz GYOQGSULDAYMPU-UHFFFAOYSA-N 1 0 391.563 4.407 20 0 GIADRO CC[NH+](CC)C1CCN(c2ccc(-c3ccc(N4CCCCC4)cc3)nn2)CC1 ZINC001165054441 722006997 /nfs/dbraw/zinc/00/69/97/722006997.db2.gz MNVCZEKLLFRTFW-UHFFFAOYSA-N 1 0 393.579 4.445 20 0 GIADRO CC[NH+](CC)C1CCN(c2cnc(Cl)nc2Oc2cccc(F)c2)CC1 ZINC001165053679 722007485 /nfs/dbraw/zinc/00/74/85/722007485.db2.gz CSSKEMMIBFPLPB-UHFFFAOYSA-N 1 0 378.879 4.372 20 0 GIADRO Clc1ccc2nc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)cnc2c1 ZINC001164951591 722015716 /nfs/dbraw/zinc/01/57/16/722015716.db2.gz BHHPIESOLITAMA-UHFFFAOYSA-N 1 0 393.922 4.171 20 0 GIADRO Clc1ccc2cnc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)nc2c1 ZINC001164955439 722018719 /nfs/dbraw/zinc/01/87/19/722018719.db2.gz GVUVXHQPBDUGPO-UHFFFAOYSA-N 1 0 393.922 4.171 20 0 GIADRO c1ccc(-c2cc(N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)nc3ccccc32)cc1 ZINC001164966558 722075584 /nfs/dbraw/zinc/07/55/84/722075584.db2.gz BAXKUVIRPUBUDM-OYRHEFFESA-N 1 0 385.511 4.201 20 0 GIADRO CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2C[N@H+](C(C)(C)c3ccnc(Cl)c3)C[C@H]21 ZINC001164981575 722098378 /nfs/dbraw/zinc/09/83/78/722098378.db2.gz LTHKJQDVUPGMLS-NLWGTHIKSA-N 1 0 398.938 4.012 20 0 GIADRO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2ncnc4cc(F)ccc42)C3)c1 ZINC001164993284 722193502 /nfs/dbraw/zinc/19/35/02/722193502.db2.gz FFEQKJCAGXPTRH-QFIPXVFZSA-N 1 0 380.442 4.153 20 0 GIADRO Cc1ccc2nc(N3CCC[C@@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)ncc2c1 ZINC001164994487 722201297 /nfs/dbraw/zinc/20/12/97/722201297.db2.gz ICVMTJDZCWJNHI-HSZRJFAPSA-N 1 0 376.479 4.322 20 0 GIADRO CC(C)n1ccc2c1ncnc2N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164996219 722206825 /nfs/dbraw/zinc/20/68/25/722206825.db2.gz RREYPCUJPYHSEU-HSZRJFAPSA-N 1 0 393.510 4.396 20 0 GIADRO Cc1cc2c(cc1C)[C@H]([NH2+]CCNC(=O)c1c(F)cccc1F)CCS2 ZINC000187337042 823045487 /nfs/dbraw/zinc/04/54/87/823045487.db2.gz QRIVPMMEGKRPNW-QGZVFWFLSA-N 1 0 376.472 4.138 20 0 GIADRO COc1cccc([C@@H](C)[NH+]2CCC(OCCCNC(=O)OC(C)(C)C)CC2)c1 ZINC000175811842 823045919 /nfs/dbraw/zinc/04/59/19/823045919.db2.gz ADGIIVJDEGHPHQ-QGZVFWFLSA-N 1 0 392.540 4.152 20 0 GIADRO CCO[C@H]1C[C@@]([NH3+])(C(=O)Nc2nc(-c3ccccc3)c(C(C)C)s2)C1(C)C ZINC000187341578 823046070 /nfs/dbraw/zinc/04/60/70/823046070.db2.gz SQKJFQSQEYMFKU-YCRPNKLZSA-N 1 0 387.549 4.405 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCC([C@@H]2CCCO2)CC1 ZINC000187344919 823046520 /nfs/dbraw/zinc/04/65/20/823046520.db2.gz VNDPQJSTAAXKOV-XXBNENTESA-N 1 0 399.579 4.162 20 0 GIADRO COc1c(Br)cccc1C[NH2+][C@H](C)C[C@H](O)c1ccc(F)cc1 ZINC000187345732 823046815 /nfs/dbraw/zinc/04/68/15/823046815.db2.gz QSBHGJOWCRKVAZ-PXAZEXFGSA-N 1 0 382.273 4.199 20 0 GIADRO [NH3+][C@@H]1CN(C(=O)Nc2ccc(C(=O)C3CCC3)cc2)CC[C@H]1c1ccc(F)cc1 ZINC000570499275 823046914 /nfs/dbraw/zinc/04/69/14/823046914.db2.gz UAVPAQCBIJCMQQ-LEWJYISDSA-N 1 0 395.478 4.157 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH2+]C[C@@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000187346854 823047029 /nfs/dbraw/zinc/04/70/29/823047029.db2.gz NBVGITCABPHDOT-HXUWFJFHSA-N 1 0 397.519 4.150 20 0 GIADRO COc1ccc([C@H](C)CC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000175817416 823047057 /nfs/dbraw/zinc/04/70/57/823047057.db2.gz XCSIUZIKLHXGTH-LJQANCHMSA-N 1 0 380.532 4.217 20 0 GIADRO O=C(Nc1cc(N2CCCC2=O)ccc1F)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000055810110 823047327 /nfs/dbraw/zinc/04/73/27/823047327.db2.gz HLCFYQKBNHYVEZ-UHFFFAOYSA-N 1 0 395.478 4.191 20 0 GIADRO CC(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000175824795 823048563 /nfs/dbraw/zinc/04/85/63/823048563.db2.gz XZWUFQLBGUFHPP-PMACEKPBSA-N 1 0 386.561 4.073 20 0 GIADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](Sc3ccc(F)cc3)c3ccccc3)C2)C1 ZINC000570522300 823049495 /nfs/dbraw/zinc/04/94/95/823049495.db2.gz ZHEPKRWGKQZDGJ-RBBKRZOGSA-N 1 0 384.520 4.213 20 0 GIADRO Cc1cc(Br)cc([C@@H](C)[NH2+]Cc2ccc([S@@](C)=O)cc2)c1O ZINC000187362243 823049812 /nfs/dbraw/zinc/04/98/12/823049812.db2.gz VVADJOQKDOHIDO-VERVWZFWSA-N 1 0 382.323 4.051 20 0 GIADRO CCOc1cccc2[nH]cc(CC(=O)NCc3ccccc3C[N@H+](C)C(C)C)c21 ZINC000187367741 823050706 /nfs/dbraw/zinc/05/07/06/823050706.db2.gz OACIRLPDXMVZOX-UHFFFAOYSA-N 1 0 393.531 4.266 20 0 GIADRO Cc1cc(F)cc2[nH]c(C(=O)Nc3cccc(C[NH+]4CCC(CO)CC4)c3)cc21 ZINC000120723435 823052640 /nfs/dbraw/zinc/05/26/40/823052640.db2.gz RWMDAKPUPAOGOO-UHFFFAOYSA-N 1 0 395.478 4.072 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)NC[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000458538861 823052759 /nfs/dbraw/zinc/05/27/59/823052759.db2.gz UZDGUKCWJRBUCC-ZBFHGGJFSA-N 1 0 391.503 4.190 20 0 GIADRO COC(=O)c1cc2cc(C[N@@H+]3CCC[C@H]3C[C@H](O)c3cccs3)ccc2o1 ZINC000175847824 823054376 /nfs/dbraw/zinc/05/43/76/823054376.db2.gz IECRYIFVEKSSDT-IRXDYDNUSA-N 1 0 385.485 4.369 20 0 GIADRO O=C(c1ccccc1C(F)(F)F)N1CCC([NH2+]Cc2ccc(F)cc2)CC1 ZINC000187381431 823053151 /nfs/dbraw/zinc/05/31/51/823053151.db2.gz YXOSBVPQUREGHS-UHFFFAOYSA-N 1 0 380.385 4.239 20 0 GIADRO COc1ccc([C@@H](C)CC(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)cc1 ZINC000120725406 823053343 /nfs/dbraw/zinc/05/33/43/823053343.db2.gz CTWMLVHAFJFTSS-SFHVURJKSA-N 1 0 396.531 4.032 20 0 GIADRO CC(C)(CC(=O)NC1CC[NH+](Cc2ccccn2)CC1)Cc1ccc(Cl)cc1 ZINC000187383115 823053621 /nfs/dbraw/zinc/05/36/21/823053621.db2.gz RTXKVEJRXRIWJG-UHFFFAOYSA-N 1 0 399.966 4.475 20 0 GIADRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)c1cc(F)c(Cl)nc1Cl)C1CC1 ZINC000187389640 823054650 /nfs/dbraw/zinc/05/46/50/823054650.db2.gz RWEYHLFCAUOWTR-MRXNPFEDSA-N 1 0 396.293 4.168 20 0 GIADRO Cc1cccc(C)c1NC(=O)CCC[N@@H+](C)CC(=O)Nc1c(C)cccc1C ZINC000175849286 823055078 /nfs/dbraw/zinc/05/50/78/823055078.db2.gz YCJLZSXVKRRCHO-UHFFFAOYSA-N 1 0 381.520 4.209 20 0 GIADRO Cc1ccc([C@H](NC(=O)C[N@H+](C)CCC2CCOCC2)c2cccs2)cc1 ZINC000120743550 823055648 /nfs/dbraw/zinc/05/56/48/823055648.db2.gz ABUFFOSZFHDURF-QFIPXVFZSA-N 1 0 386.561 4.011 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000458559665 823055756 /nfs/dbraw/zinc/05/57/56/823055756.db2.gz IQWGOHBCGOYEAY-IBGZPJMESA-N 1 0 388.943 4.244 20 0 GIADRO CN(C(=O)NCC1(Cc2ccccc2)CC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458561331 823056153 /nfs/dbraw/zinc/05/61/53/823056153.db2.gz BRDSWCLDUHBVBQ-UHFFFAOYSA-N 1 0 397.485 4.068 20 0 GIADRO CC(C)(C)OC(=O)N1CCC(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000120759679 823058709 /nfs/dbraw/zinc/05/87/09/823058709.db2.gz ZAEAEHOQHCZUTL-CTNGQTDRSA-N 1 0 388.552 4.391 20 0 GIADRO CSc1ccc(CNC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000175862848 823058070 /nfs/dbraw/zinc/05/80/70/823058070.db2.gz IAOTYUWLEDXOSM-FQEVSTJZSA-N 1 0 383.561 4.072 20 0 GIADRO COc1ccc([C@H](NC(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)c2ccco2)cc1 ZINC000458588204 823059913 /nfs/dbraw/zinc/05/99/13/823059913.db2.gz WEINMPCKCIBWAZ-AVRDEDQJSA-N 1 0 399.535 4.045 20 0 GIADRO Fc1cccc([C@H](C[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)N2CCOCC2)c1 ZINC000570599834 823060111 /nfs/dbraw/zinc/06/01/11/823060111.db2.gz LWROYKDHFLYADS-PKTZIBPZSA-N 1 0 393.506 4.348 20 0 GIADRO Cc1cnc([C@H](NC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)C2CC2)s1 ZINC000175870147 823060118 /nfs/dbraw/zinc/06/01/18/823060118.db2.gz QUIWHBGVCPLGII-OXJNMPFZSA-N 1 0 398.576 4.209 20 0 GIADRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N1CC(C)(CC(F)(F)F)C1 ZINC000458591679 823060637 /nfs/dbraw/zinc/06/06/37/823060637.db2.gz XJYPHZVGLIYSMV-HZPDHXFCSA-N 1 0 397.485 4.127 20 0 GIADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N(C)Cc1ccccc1-c1ccccc1 ZINC000175873093 823060765 /nfs/dbraw/zinc/06/07/65/823060765.db2.gz OGIRCSAFNJKEDA-HSZRJFAPSA-N 1 0 380.532 4.105 20 0 GIADRO O=C(CC[N@@H+]1CCC[C@H]1c1nc2ccccc2s1)N1CCc2sccc2C1 ZINC000055898148 823063348 /nfs/dbraw/zinc/06/33/48/823063348.db2.gz RFCBDZODDDLQDD-KRWDZBQOSA-N 1 0 397.569 4.470 20 0 GIADRO Cc1ccc(C[C@@H](NC(=O)Nc2ccc3c(c2)C[NH2+]CC3)c2ccccn2)cc1 ZINC000570616364 823062709 /nfs/dbraw/zinc/06/27/09/823062709.db2.gz GDZODIXTXOLVOA-HSZRJFAPSA-N 1 0 386.499 4.141 20 0 GIADRO Cc1cc(N2CCC[C@@H](c3nnc4n3CCCCC4)C2)c2cc(F)ccc2[nH+]1 ZINC000120785430 823063802 /nfs/dbraw/zinc/06/38/02/823063802.db2.gz PEWIZCFQKBMFDA-MRXNPFEDSA-N 1 0 379.483 4.384 20 0 GIADRO CC[N@H+](Cc1ccc(OC)cc1)Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000055904193 823064695 /nfs/dbraw/zinc/06/46/95/823064695.db2.gz VAHRSGVHJCDYAD-UHFFFAOYSA-N 1 0 378.472 4.240 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N1CCC(C2CCOCC2)CC1 ZINC000120791559 823065118 /nfs/dbraw/zinc/06/51/18/823065118.db2.gz USJJMVVTENARBG-UHFFFAOYSA-N 1 0 399.579 4.021 20 0 GIADRO C[C@@H](NC(=O)N[C@H]1CCCC[C@H]1CC(F)(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000458622351 823065139 /nfs/dbraw/zinc/06/51/39/823065139.db2.gz BGJNVCPGKKCPOT-CVYDXHPNSA-N 1 0 389.506 4.450 20 0 GIADRO CN(Cc1nc2ccccc2s1)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000120795225 823065492 /nfs/dbraw/zinc/06/54/92/823065492.db2.gz PNKOIKCVUJMLND-UHFFFAOYSA-N 1 0 394.588 4.459 20 0 GIADRO CC(C)n1cc(C2=CCC[N@H+](Cc3cnc(-c4ccccn4)s3)CC2)nn1 ZINC000570640790 823065736 /nfs/dbraw/zinc/06/57/36/823065736.db2.gz BZBOCIKNJXLGAD-UHFFFAOYSA-N 1 0 380.521 4.057 20 0 GIADRO Cc1occc1CN(C)C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000187450521 823065828 /nfs/dbraw/zinc/06/58/28/823065828.db2.gz ANXVBJNMBWYWHD-QGZVFWFLSA-N 1 0 383.414 4.051 20 0 GIADRO CN(C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C1CC(C)(C)C1 ZINC000458627413 823065954 /nfs/dbraw/zinc/06/59/54/823065954.db2.gz VKYBSLWGMUEEAN-KSSFIOAISA-N 1 0 381.923 4.302 20 0 GIADRO Cc1cccc([C@H]2CCC[N@@H+]2Cc2cc(=O)n3cc(Br)ccc3n2)c1 ZINC000055910979 823065935 /nfs/dbraw/zinc/06/59/35/823065935.db2.gz XZHKEBFSWLFOGG-GOSISDBHSA-N 1 0 398.304 4.103 20 0 GIADRO CN(C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C1CC(C)(C)C1 ZINC000458627412 823066108 /nfs/dbraw/zinc/06/61/08/823066108.db2.gz VKYBSLWGMUEEAN-KDOFPFPSSA-N 1 0 381.923 4.302 20 0 GIADRO C[C@@H](c1ccco1)N(C)C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000187452566 823066440 /nfs/dbraw/zinc/06/64/40/823066440.db2.gz VXTSWODHCUEWRO-XJKSGUPXSA-N 1 0 383.414 4.304 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2C2CCCC2)c(C(F)(F)F)c1 ZINC000055927477 823067996 /nfs/dbraw/zinc/06/79/96/823067996.db2.gz XKSVTHDHZAFQQO-GOSISDBHSA-N 1 0 397.441 4.257 20 0 GIADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Nc1ccc(-n2cccn2)cc1 ZINC000175900205 823067143 /nfs/dbraw/zinc/06/71/43/823067143.db2.gz SEXGDQOATWSETL-UHFFFAOYSA-N 1 0 397.445 4.000 20 0 GIADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@H](C)c1c(Cl)cccc1Cl ZINC000175900865 823067534 /nfs/dbraw/zinc/06/75/34/823067534.db2.gz RREIXFFQGXJANX-SCLBCKFNSA-N 1 0 387.351 4.006 20 0 GIADRO Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000570658961 823068331 /nfs/dbraw/zinc/06/83/31/823068331.db2.gz NYKUHVGSULAXBV-ZDUSSCGKSA-N 1 0 396.318 4.419 20 0 GIADRO C[C@@H](c1cccnc1)N(C)C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000187466726 823068666 /nfs/dbraw/zinc/06/86/66/823068666.db2.gz GJFOCUQJDSJHHU-KBXCAEBGSA-N 1 0 394.441 4.106 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)c1occc1Br ZINC000175905777 823069042 /nfs/dbraw/zinc/06/90/42/823069042.db2.gz CTQURWGLBJCIMA-UHFFFAOYSA-N 1 0 391.309 4.348 20 0 GIADRO C[C@@H](N[C@H](C[NH+]1CCCC1)c1ccccc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000120815136 823069832 /nfs/dbraw/zinc/06/98/32/823069832.db2.gz HOBDBHYSMSSBKS-VGOFRKELSA-N 1 0 377.532 4.404 20 0 GIADRO CC(C)[C@@H](CNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)c1cccnc1 ZINC000175908945 823070092 /nfs/dbraw/zinc/07/00/92/823070092.db2.gz CVRPRALPFDLYFS-HSZRJFAPSA-N 1 0 394.563 4.127 20 0 GIADRO CO[C@H]1C[C@H]2C[C@@H]([NH2+]Cc3cccc(NC(=O)c4cccc(F)c4)c3)C[C@H]2C1 ZINC000570674552 823070632 /nfs/dbraw/zinc/07/06/32/823070632.db2.gz NUFONDOUQYKNBR-VVIORFSUSA-N 1 0 382.479 4.371 20 0 GIADRO O=C(c1ccc(COc2ccc3ccccc3c2)o1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000570675285 823071011 /nfs/dbraw/zinc/07/10/11/823071011.db2.gz DDUFHPQYCMDGMM-XMMPIXPASA-N 1 0 390.483 4.228 20 0 GIADRO CN(Cc1nc(-c2cccs2)no1)C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000570684107 823071629 /nfs/dbraw/zinc/07/16/29/823071629.db2.gz KIXHFNAZYKBZTJ-UHFFFAOYSA-N 1 0 396.516 4.056 20 0 GIADRO CCS[C@@H]1CC[C@@H](N(C)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000120830781 823073194 /nfs/dbraw/zinc/07/31/94/823073194.db2.gz HDFDLYZZYSKJAM-WOJBJXKFSA-N 1 0 375.582 4.098 20 0 GIADRO O=C(CCc1ccc2[nH]ccc2c1)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000570707494 823074141 /nfs/dbraw/zinc/07/41/41/823074141.db2.gz SQPZOQVTZFWACL-VWLOTQADSA-N 1 0 387.527 4.225 20 0 GIADRO C[C@H]([NH2+]CCc1cn(C)c2cc(Cl)ccc12)c1ccc2c(c1)OCC(=O)N2 ZINC000570706002 823074163 /nfs/dbraw/zinc/07/41/63/823074163.db2.gz PFOCBJGFGHKFPY-ZDUSSCGKSA-N 1 0 383.879 4.056 20 0 GIADRO CC(C)(O)c1ccc(C[NH2+]CC2=Cc3cc(Br)ccc3OC2)cc1 ZINC000187504935 823076993 /nfs/dbraw/zinc/07/69/93/823076993.db2.gz YASVXAOXZREMFR-UHFFFAOYSA-N 1 0 388.305 4.242 20 0 GIADRO Cc1ccc(C(=O)N2CCC([N@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)nc1 ZINC000120839687 823074685 /nfs/dbraw/zinc/07/46/85/823074685.db2.gz LWFXMUSTWCEWRA-UHFFFAOYSA-N 1 0 391.437 4.145 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)cc1OCC ZINC000120853919 823077022 /nfs/dbraw/zinc/07/70/22/823077022.db2.gz ZJAXKKZGUVFIFL-CVEARBPZSA-N 1 0 398.503 4.364 20 0 GIADRO CC[C@@H]([NH2+]Cc1ccccc1C(F)(F)F)c1ccccc1OCC(=O)N(C)C ZINC000120844520 823075442 /nfs/dbraw/zinc/07/54/42/823075442.db2.gz MEXRPMKPXIIJGQ-GOSISDBHSA-N 1 0 394.437 4.413 20 0 GIADRO COc1ccc(C[NH2+]Cc2ccc(C(C)(C)O)cc2)cc1OCc1cccnc1 ZINC000187498285 823075710 /nfs/dbraw/zinc/07/57/10/823075710.db2.gz NZYHLBRAPAIDBK-UHFFFAOYSA-N 1 0 392.499 4.186 20 0 GIADRO Cc1ccc(NC(=O)c2cccc(C(=O)N(C)CC(C)(C)C)c2)c(C[NH+](C)C)c1 ZINC000120850938 823076509 /nfs/dbraw/zinc/07/65/09/823076509.db2.gz JYKKZMUQGQJAKV-UHFFFAOYSA-N 1 0 395.547 4.427 20 0 GIADRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cccc(OCc4ccccc4F)c3)[C@H]2C1 ZINC000570756048 823081431 /nfs/dbraw/zinc/08/14/31/823081431.db2.gz PHGVIMFFKNNTPL-NGYIFUPDSA-N 1 0 396.506 4.141 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cn(C)nc2C(F)(F)F)cc1 ZINC000056012331 823078940 /nfs/dbraw/zinc/07/89/40/823078940.db2.gz BMCCTPWKHSXCQI-CYBMUJFWSA-N 1 0 380.414 4.066 20 0 GIADRO Cc1coc(-c2ccc(C)c(NC(=O)NC[C@@H](c3cccs3)[NH+](C)C)c2)n1 ZINC000120863472 823079021 /nfs/dbraw/zinc/07/90/21/823079021.db2.gz KZTNOROYALDDNW-KRWDZBQOSA-N 1 0 384.505 4.444 20 0 GIADRO CC(C)C[C@]1(C)CCCN1C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000458731592 823079413 /nfs/dbraw/zinc/07/94/13/823079413.db2.gz GOUOQBCFHFUCEF-TVPLGVNVSA-N 1 0 389.506 4.402 20 0 GIADRO COCCCOc1ccc(C[NH2+][C@@H](C)c2nc3ccc(Cl)cc3n2C)cc1 ZINC000570747465 823080279 /nfs/dbraw/zinc/08/02/79/823080279.db2.gz VVCUOIJXNWVINV-HNNXBMFYSA-N 1 0 387.911 4.493 20 0 GIADRO Cc1ccccc1C(C)(C)NC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000458755725 823081810 /nfs/dbraw/zinc/08/18/10/823081810.db2.gz WNKNZKKERPQBMT-UHFFFAOYSA-N 1 0 397.485 4.335 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCCCC1)N1CCC([C@@H]2CCCO2)CC1 ZINC000187526717 823081813 /nfs/dbraw/zinc/08/18/13/823081813.db2.gz NVKSQZAZSYPGCZ-QHCPKHFHSA-N 1 0 399.579 4.163 20 0 GIADRO CCC(CC)(C[NH2+]Cc1ncc(-c2ccccc2Br)o1)C(=O)OC ZINC000120875943 823080773 /nfs/dbraw/zinc/08/07/73/823080773.db2.gz GSTDSCMXFILVBX-UHFFFAOYSA-N 1 0 395.297 4.173 20 0 GIADRO CC[C@@H](C)[NH2+][C@H](CNC(=O)N1CCC(c2ccccc2F)CC1)c1ccco1 ZINC000570751086 823080961 /nfs/dbraw/zinc/08/09/61/823080961.db2.gz OZCWFQAKYCXZAF-OXQOHEQNSA-N 1 0 387.499 4.437 20 0 GIADRO COc1cc(C[NH2+][C@@H](C)Cc2ccccc2C)cc(OC)c1OCC(F)F ZINC000570753396 823081137 /nfs/dbraw/zinc/08/11/37/823081137.db2.gz CWEPOWRGMIQHST-HNNXBMFYSA-N 1 0 379.447 4.377 20 0 GIADRO Cc1cc(C)c(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1Br ZINC000187523781 823081086 /nfs/dbraw/zinc/08/10/86/823081086.db2.gz UCXFAGDWWBFPIF-HNNXBMFYSA-N 1 0 380.330 4.016 20 0 GIADRO CCC[C@@H]1CN(C(=O)c2cncc(C(F)(F)F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000570754107 823081247 /nfs/dbraw/zinc/08/12/47/823081247.db2.gz LUAGHDOOCGOXAY-LJQANCHMSA-N 1 0 391.437 4.227 20 0 GIADRO C[C@H](C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccc(Cl)s1 ZINC000120887687 823082331 /nfs/dbraw/zinc/08/23/31/823082331.db2.gz SHCBTSOCUZHACK-AWEZNQCLSA-N 1 0 392.952 4.348 20 0 GIADRO O=[N+]([O-])c1ccc(CNc2ccccc2C[NH+]2CCC(CO)CC2)cc1Cl ZINC000187531391 823082955 /nfs/dbraw/zinc/08/29/55/823082955.db2.gz QPECZAQTTLRUCN-UHFFFAOYSA-N 1 0 389.883 4.065 20 0 GIADRO C[C@@H](NC(=O)NC(C)(C)CCC[NH+](C)C)c1ccc(Oc2cccnc2)cc1 ZINC000458775940 823084149 /nfs/dbraw/zinc/08/41/49/823084149.db2.gz NKMDLVMBXCHPAD-QGZVFWFLSA-N 1 0 384.524 4.355 20 0 GIADRO O=C(c1cc(C2CC2)nc2ccc(Cl)cc21)N1CCC([NH+]2CCCC2)CC1 ZINC000175968704 823084411 /nfs/dbraw/zinc/08/44/11/823084411.db2.gz QYBJHTCAOQSHNA-UHFFFAOYSA-N 1 0 383.923 4.466 20 0 GIADRO c1ccc(COc2cccc(C[NH2+]C3CCN(Cc4ccncc4)CC3)c2)cc1 ZINC000120904159 823084608 /nfs/dbraw/zinc/08/46/08/823084608.db2.gz QBJWXAGJBLVOSU-UHFFFAOYSA-N 1 0 387.527 4.415 20 0 GIADRO COCC(=O)Nc1cccc(CNC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)c1 ZINC000570771131 823084747 /nfs/dbraw/zinc/08/47/47/823084747.db2.gz IPEFCEQAAUOOAH-UHFFFAOYSA-N 1 0 389.584 4.040 20 0 GIADRO COc1ccc(NC(=O)c2nnc(C[NH2+][C@H]3CCC(C)(C)C[C@@H]3C)s2)cc1 ZINC000120914872 823086215 /nfs/dbraw/zinc/08/62/15/823086215.db2.gz UBNHCPQFUWGSQE-BBRMVZONSA-N 1 0 388.537 4.103 20 0 GIADRO O=C(c1ccc(C[NH2+][C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)cc1)N1CCOCC1 ZINC000570781898 823086609 /nfs/dbraw/zinc/08/66/09/823086609.db2.gz UCMORPOCSSCNCW-IFMALSPDSA-N 1 0 398.934 4.238 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@@H](c1ccccc1)C1CC1 ZINC000458799463 823087419 /nfs/dbraw/zinc/08/74/19/823087419.db2.gz UWMZGYNEXAXUKT-QHCPKHFHSA-N 1 0 392.547 4.133 20 0 GIADRO CC[C@]1(CO)CCC[N@H+](Cc2ncc(-c3ccc(Br)cc3)o2)C1 ZINC000187581299 823092243 /nfs/dbraw/zinc/09/22/43/823092243.db2.gz QERAHYCHSSFJDG-SFHVURJKSA-N 1 0 379.298 4.089 20 0 GIADRO CN(CCCCCc1cc(-c2cccc(F)c2)no1)C(=O)c1coc(C[NH3+])c1 ZINC000187560828 823088470 /nfs/dbraw/zinc/08/84/70/823088470.db2.gz TZWZIGWQDJCMNN-UHFFFAOYSA-N 1 0 385.439 4.017 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)N[C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 ZINC000570799175 823088963 /nfs/dbraw/zinc/08/89/63/823088963.db2.gz RHMOFVTURNRPPI-JKSUJKDBSA-N 1 0 398.473 4.071 20 0 GIADRO CN(CC1CC[NH+](C)CC1)C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000175987081 823089324 /nfs/dbraw/zinc/08/93/24/823089324.db2.gz MFFYPAURPMITEG-UHFFFAOYSA-N 1 0 397.485 4.110 20 0 GIADRO Cc1nc(COc2cccc(C(=O)N[C@@H](CCC[NH3+])c3ccccc3)c2)cs1 ZINC000570800667 823089326 /nfs/dbraw/zinc/08/93/26/823089326.db2.gz XERAVNMNBPMPKS-NRFANRHFSA-N 1 0 395.528 4.241 20 0 GIADRO CCCCCNC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000056153064 823089891 /nfs/dbraw/zinc/08/98/91/823089891.db2.gz PSBAXJDSPUBIGV-MSOLQXFVSA-N 1 0 381.520 4.284 20 0 GIADRO CCOC(=O)C1CCC([NH2+]C[C@H](c2cccc(C(F)(F)F)c2)N(C)C)CC1 ZINC000187568043 823090009 /nfs/dbraw/zinc/09/00/09/823090009.db2.gz PKHAOBFVTCXZCM-IUPXNIOVSA-N 1 0 386.458 4.020 20 0 GIADRO Cc1nc(NC(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)sc1Cc1ccc(C)cc1 ZINC000570811419 823090258 /nfs/dbraw/zinc/09/02/58/823090258.db2.gz XJIRZFBSJWQAOO-OALUTQOASA-N 1 0 398.576 4.204 20 0 GIADRO COc1cc(C)c([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc3ncccc32)cc1OC ZINC000056153827 823090349 /nfs/dbraw/zinc/09/03/49/823090349.db2.gz SVAHXYVWYQUIIX-CVEARBPZSA-N 1 0 393.487 4.238 20 0 GIADRO COCCOc1ccc([C@@H](C)[NH2+]Cc2ccc(Br)cc2OC)cc1 ZINC000187573421 823090577 /nfs/dbraw/zinc/09/05/77/823090577.db2.gz GSYLRFZBJNFLQT-CQSZACIVSA-N 1 0 394.309 4.334 20 0 GIADRO COCCOc1ccc([C@H](C)[NH2+]Cc2ccc(Br)cc2OC)cc1 ZINC000187573404 823090666 /nfs/dbraw/zinc/09/06/66/823090666.db2.gz GSYLRFZBJNFLQT-AWEZNQCLSA-N 1 0 394.309 4.334 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[C@H](c2ccccc2)C(F)(F)F)[C@@H](C)C1 ZINC000458816152 823091020 /nfs/dbraw/zinc/09/10/20/823091020.db2.gz IMKPREYVMBMTKT-JQHSSLGASA-N 1 0 385.474 4.094 20 0 GIADRO CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@H](C)c2cncc(Br)c2)c1 ZINC000570816225 823091107 /nfs/dbraw/zinc/09/11/07/823091107.db2.gz JRGYYIJYVCBFGF-UONOGXRCSA-N 1 0 390.325 4.223 20 0 GIADRO CC(C)Oc1cccc([C@H](C)[NH2+][C@H](C)C(=O)NC(=O)Nc2ccccc2F)c1 ZINC000056156773 823091587 /nfs/dbraw/zinc/09/15/87/823091587.db2.gz NAIWHSRUTFUONK-LSDHHAIUSA-N 1 0 387.455 4.000 20 0 GIADRO CCCOc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(F)cc2F)cc1OC ZINC000056161923 823093024 /nfs/dbraw/zinc/09/30/24/823093024.db2.gz UEQFHULPLMOIQA-KGLIPLIRSA-N 1 0 392.446 4.440 20 0 GIADRO CCCOc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2OC)cc1OC ZINC000056161964 823093164 /nfs/dbraw/zinc/09/31/64/823093164.db2.gz VJDHUBOFCWHCEA-JKSUJKDBSA-N 1 0 386.492 4.170 20 0 GIADRO CC(C)[NH+](CCCNc1ccc(S(C)(=O)=O)cc1C(F)(F)F)C(C)C ZINC000570834010 823093371 /nfs/dbraw/zinc/09/33/71/823093371.db2.gz HMSTZNLOOUNVEF-UHFFFAOYSA-N 1 0 380.476 4.030 20 0 GIADRO O=C(NCc1ccccc1)C1CC[NH+](Cc2cccc(-c3ccncc3)c2)CC1 ZINC000120959249 823093364 /nfs/dbraw/zinc/09/33/64/823093364.db2.gz QCAPKKGXBKHHSU-UHFFFAOYSA-N 1 0 385.511 4.277 20 0 GIADRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(OC(C)C)cc2)cc1OC ZINC000056163544 823093632 /nfs/dbraw/zinc/09/36/32/823093632.db2.gz RIHZGRVGBXMVLX-CVEARBPZSA-N 1 0 386.492 4.169 20 0 GIADRO COc1ccc(F)cc1C[NH2+][C@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000187596490 823094808 /nfs/dbraw/zinc/09/48/08/823094808.db2.gz ILJGQXIJPGLYEV-GFCCVEGCSA-N 1 0 384.373 4.360 20 0 GIADRO COc1ccc(OC)c(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(OC(C)C)cc2)c1 ZINC000056170545 823095145 /nfs/dbraw/zinc/09/51/45/823095145.db2.gz RJFJCESHXVCFBS-JKSUJKDBSA-N 1 0 386.492 4.169 20 0 GIADRO CC[NH+]1CCN(c2ccc(N[C@@H](C)C(=O)Nc3cc(F)ccc3C)c(C)c2)CC1 ZINC000056170374 823095163 /nfs/dbraw/zinc/09/51/63/823095163.db2.gz VYIMMTMIJVZKRB-SFHVURJKSA-N 1 0 398.526 4.024 20 0 GIADRO CCOc1cccc(NC(=O)C(=O)Nc2cccc3c2C[N@@H+]([C@H](C)C(C)C)C3)c1 ZINC000187598520 823095551 /nfs/dbraw/zinc/09/55/51/823095551.db2.gz WVQFOAWLRIRZJI-MRXNPFEDSA-N 1 0 395.503 4.023 20 0 GIADRO COCC1=CC[N@H+](Cc2cn(Cc3ccccc3)nc2-c2cccs2)CC1 ZINC000187613814 823098077 /nfs/dbraw/zinc/09/80/77/823098077.db2.gz SCEXPXNQIVVZAJ-UHFFFAOYSA-N 1 0 379.529 4.438 20 0 GIADRO Cc1ccccc1CN(Cc1cccnc1)C(=O)NCCCCC[NH+]1CCCC1 ZINC000458850286 823097430 /nfs/dbraw/zinc/09/74/30/823097430.db2.gz MCHKQUUCFQQFLG-UHFFFAOYSA-N 1 0 394.563 4.368 20 0 GIADRO COc1cccc(-c2ccc(CNC(=O)N3CCC([NH2+]C(C)C)CC3)cc2)c1 ZINC000176025001 823098471 /nfs/dbraw/zinc/09/84/71/823098471.db2.gz WNHQOXDXQSVHBG-UHFFFAOYSA-N 1 0 381.520 4.034 20 0 GIADRO O=C(c1ccc(C2=CCCC2)cc1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000570865314 823098488 /nfs/dbraw/zinc/09/84/88/823098488.db2.gz ZSNZZAIVUNXPDR-UHFFFAOYSA-N 1 0 382.548 4.219 20 0 GIADRO COc1ccc(CN(C(=O)NC2CC[NH+](C3CCCC3)CC2)[C@H](C)C2CC2)cc1 ZINC000176027865 823099363 /nfs/dbraw/zinc/09/93/63/823099363.db2.gz BBNOTNWEMKYKCK-GOSISDBHSA-N 1 0 399.579 4.412 20 0 GIADRO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2cccc3[nH]ccc32)C1 ZINC000570873701 823099849 /nfs/dbraw/zinc/09/98/49/823099849.db2.gz SVWDZQDGTVFYPC-MRXNPFEDSA-N 1 0 381.442 4.181 20 0 GIADRO CC[C@H](c1ccncc1)N(C)C(=O)NC[C@@H](c1ccc(SC)cc1)[NH+](C)C ZINC000458878055 823100680 /nfs/dbraw/zinc/10/06/80/823100680.db2.gz BEDILUAWXPEJPC-UXHICEINSA-N 1 0 386.565 4.199 20 0 GIADRO O=C(N[C@H]1CCCc2c(F)cc(F)cc21)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000458899832 823103498 /nfs/dbraw/zinc/10/34/98/823103498.db2.gz HQXKIKGNARFZIY-UZLBHIALSA-N 1 0 377.479 4.002 20 0 GIADRO CSc1ccc([C@@H](CNC(=O)N(C)Cc2ccc(C)s2)[NH+](C)C)cc1 ZINC000458905192 823104409 /nfs/dbraw/zinc/10/44/09/823104409.db2.gz VDVYCOTYZVNVIK-GOSISDBHSA-N 1 0 377.579 4.223 20 0 GIADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)/C=C(\C)c1cccc(OC)c1 ZINC000176043516 823104977 /nfs/dbraw/zinc/10/49/77/823104977.db2.gz GMOTYGUBHBPHBW-SIWPHUPXSA-N 1 0 393.531 4.007 20 0 GIADRO C[C@@H](Nc1ccc(CC[NH+]2CCCCC2)cc1)C(=O)Nc1ccc(Cl)cn1 ZINC000056216160 823105342 /nfs/dbraw/zinc/10/53/42/823105342.db2.gz QUJKZBAWKFXETC-MRXNPFEDSA-N 1 0 386.927 4.203 20 0 GIADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000121029195 823105561 /nfs/dbraw/zinc/10/55/61/823105561.db2.gz WDZAACONDANFHT-UHFFFAOYSA-N 1 0 380.319 4.397 20 0 GIADRO COc1ccccc1NC(=O)[C@@H](C)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000056216193 823105592 /nfs/dbraw/zinc/10/55/92/823105592.db2.gz ONFBCLQBLAASQA-GOSISDBHSA-N 1 0 381.520 4.163 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000121029526 823105667 /nfs/dbraw/zinc/10/56/67/823105667.db2.gz QNPDOXPNILBHIF-OAQYLSRUSA-N 1 0 391.559 4.019 20 0 GIADRO CCOc1ccc(NC2CC[NH+](Cc3ccccn3)CC2)cc1Br ZINC000187652652 823105758 /nfs/dbraw/zinc/10/57/58/823105758.db2.gz FKWZOZGMSQPPHZ-UHFFFAOYSA-N 1 0 390.325 4.319 20 0 GIADRO O=C(N[C@H]1CCCC[C@H]1CC(F)(F)F)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000458941501 823109343 /nfs/dbraw/zinc/10/93/43/823109343.db2.gz HIYLGRTZGDGEHZ-BBWFWOEESA-N 1 0 375.479 4.158 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C2(c3cc(C(F)(F)F)ccc3Cl)CC2)C1 ZINC000187669228 823109775 /nfs/dbraw/zinc/10/97/75/823109775.db2.gz ATLQIHYDRJRAJD-ZDUSSCGKSA-N 1 0 388.861 4.191 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C2(c3cc(C(F)(F)F)ccc3Cl)CC2)C1 ZINC000187669250 823109800 /nfs/dbraw/zinc/10/98/00/823109800.db2.gz ATLQIHYDRJRAJD-CYBMUJFWSA-N 1 0 388.861 4.191 20 0 GIADRO O=C(N[C@H]1CCCC[C@H]1CC(F)(F)F)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000458941502 823109819 /nfs/dbraw/zinc/10/98/19/823109819.db2.gz HIYLGRTZGDGEHZ-ULQDDVLXSA-N 1 0 375.479 4.158 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@H](c1ccccc1)C1CCCC1 ZINC000176062180 823109905 /nfs/dbraw/zinc/10/99/05/823109905.db2.gz FEBFJBBDDCXHLM-JOCHJYFZSA-N 1 0 393.531 4.043 20 0 GIADRO CCC[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccsc1 ZINC000187670966 823110019 /nfs/dbraw/zinc/11/00/19/823110019.db2.gz YNKMPRKUPHKUCN-IBGZPJMESA-N 1 0 378.563 4.164 20 0 GIADRO CCCNC(=O)C1CC[NH+](CCSc2cc(Cl)ccc2Cl)CC1 ZINC000121057718 823110652 /nfs/dbraw/zinc/11/06/52/823110652.db2.gz VGHAVAVBLAROPF-UHFFFAOYSA-N 1 0 375.365 4.324 20 0 GIADRO CCC[C@H](NC(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1)C(C)(C)C ZINC000458960968 823111121 /nfs/dbraw/zinc/11/11/21/823111121.db2.gz HHMFSKLEEJQOPZ-NRFANRHFSA-N 1 0 394.648 4.039 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@@H](C)c1cc2ccccc2s1 ZINC000176077846 823113983 /nfs/dbraw/zinc/11/39/83/823113983.db2.gz NPHTWESTROPCCT-HNNXBMFYSA-N 1 0 395.528 4.087 20 0 GIADRO COc1ccc(CN(C)C(=O)CN(C)[C@H](C)c2sc(C(C)C)nc2C)cc1 ZINC000121065584 823111663 /nfs/dbraw/zinc/11/16/63/823111663.db2.gz QLCBZFLRHQEDSC-MRXNPFEDSA-N 1 0 389.565 4.235 20 0 GIADRO CCO[C@@H]1C[C@]([NH3+])(C(=O)Nc2nc(-c3ccc4c(c3)CCC4)c(C)s2)C1(C)C ZINC000187681129 823111682 /nfs/dbraw/zinc/11/16/82/823111682.db2.gz NGZDBGCARZJBEE-VGSWGCGISA-N 1 0 399.560 4.078 20 0 GIADRO COc1ccccc1[C@@H](CN[C@H](c1ncc[nH]1)c1ccc(F)cc1)[NH+]1CCCC1 ZINC000187685359 823112707 /nfs/dbraw/zinc/11/27/07/823112707.db2.gz VTABTZWCCQWVLD-IRLDBZIGSA-N 1 0 394.494 4.074 20 0 GIADRO C[C@@H]1CC[C@H](C)CN1C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000121072832 823113165 /nfs/dbraw/zinc/11/31/65/823113165.db2.gz NRMXSVLPKCVMBE-ZWKOTPCHSA-N 1 0 386.540 4.153 20 0 GIADRO CC[C@H]([NH2+]Cc1ccc(C(N)=O)cc1)c1ccc(Br)cc1Cl ZINC000187690394 823113489 /nfs/dbraw/zinc/11/34/89/823113489.db2.gz BTHWPDYGSSHJFU-INIZCTEOSA-N 1 0 381.701 4.442 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2oc3ccc(CCC(C)=O)cc3c2C)C[C@@H]1C ZINC000570979994 823115068 /nfs/dbraw/zinc/11/50/68/823115068.db2.gz OUBKZPILTIKAJG-KXBFYZLASA-N 1 0 384.520 4.208 20 0 GIADRO O=C1CCCN1CCC[NH2+][C@@H](c1ccc(Br)cc1Cl)C1CC1 ZINC000187703144 823116226 /nfs/dbraw/zinc/11/62/26/823116226.db2.gz QORPFFCTVGXATM-QGZVFWFLSA-N 1 0 385.733 4.156 20 0 GIADRO CSCc1ccc(C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)cc1 ZINC000121103910 823119391 /nfs/dbraw/zinc/11/93/91/823119391.db2.gz TXZJEUFKUFNLFV-UHFFFAOYSA-N 1 0 384.545 4.006 20 0 GIADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000459018719 823117741 /nfs/dbraw/zinc/11/77/41/823117741.db2.gz QXRPAERJOLCFDG-ORAYPTAESA-N 1 0 381.923 4.302 20 0 GIADRO Fc1ccccc1-c1nc2c(s1)[C@@H]([NH2+]CCOC[C@@H]1CCCO1)CCC2 ZINC000121099494 823118185 /nfs/dbraw/zinc/11/81/85/823118185.db2.gz USFZEFVURXGBOU-YOEHRIQHSA-N 1 0 376.497 4.112 20 0 GIADRO CCCn1nc(C)c(C[N@@H+]2CCC[C@H](NC(=O)CCCc3ccccc3)C2)c1C ZINC000571005748 823118870 /nfs/dbraw/zinc/11/88/70/823118870.db2.gz CQRFVMKNTIMRGO-QFIPXVFZSA-N 1 0 396.579 4.013 20 0 GIADRO Fc1ccc(OCc2noc([C@H]3CCC[N@H+](Cc4cccc(F)c4)C3)n2)cc1 ZINC000121111163 823120596 /nfs/dbraw/zinc/12/05/96/823120596.db2.gz HJMOMMHYKDIUBL-INIZCTEOSA-N 1 0 385.414 4.306 20 0 GIADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)NC[C@@H]1CCO[C@H](C(C)C)C1 ZINC000459060444 823122189 /nfs/dbraw/zinc/12/21/89/823122189.db2.gz LBERDSJMPWIDQU-QUCCMNQESA-N 1 0 395.613 4.053 20 0 GIADRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000459076880 823124586 /nfs/dbraw/zinc/12/45/86/823124586.db2.gz PYFFZSZNCLRMHO-ZSYWTGECSA-N 1 0 393.597 4.168 20 0 GIADRO CSc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccccn2)cc1Cl ZINC000176110350 823123380 /nfs/dbraw/zinc/12/33/80/823123380.db2.gz JLJQFLWUZAMYES-UHFFFAOYSA-N 1 0 378.929 4.053 20 0 GIADRO COc1ccc2c(c1)[C@@H]([NH2+]CC1=CCN(C(=O)OC(C)(C)C)CC1)CCCO2 ZINC000187744665 823124011 /nfs/dbraw/zinc/12/40/11/823124011.db2.gz XLAIHTVXVZLJST-IBGZPJMESA-N 1 0 388.508 4.066 20 0 GIADRO CCCN(C(=O)CC[C@@H]([NH3+])c1ccccc1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000571039371 823124197 /nfs/dbraw/zinc/12/41/97/823124197.db2.gz ZEIFJTHIDKSARO-GHTZIAJQSA-N 1 0 381.520 4.123 20 0 GIADRO COc1ccc(S[C@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000176115600 823125096 /nfs/dbraw/zinc/12/50/96/823125096.db2.gz PJNRPRMTSCSKAY-QWFCFKBJSA-N 1 0 398.572 4.345 20 0 GIADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc(-c3ccccc3)c(C)c2)cc1 ZINC000187751409 823125486 /nfs/dbraw/zinc/12/54/86/823125486.db2.gz DARSTCWQVCLQPX-GOSISDBHSA-N 1 0 394.540 4.421 20 0 GIADRO CC(C)(C)n1nc(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)cc1C1CC1 ZINC000056332981 823129904 /nfs/dbraw/zinc/12/99/04/823129904.db2.gz JNEIDOQFSJIUDO-UHFFFAOYSA-N 1 0 380.536 4.406 20 0 GIADRO C[C@H]1C[C@H](NC(=O)c2ccccc2C(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000176117284 823125811 /nfs/dbraw/zinc/12/58/11/823125811.db2.gz KBIIJDUTRFXFBP-DOTOQJQBSA-N 1 0 376.422 4.488 20 0 GIADRO CC[C@H](Cc1ccccc1)NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000176117095 823125819 /nfs/dbraw/zinc/12/58/19/823125819.db2.gz DWHQOEKMEWBPHI-JOCHJYFZSA-N 1 0 379.548 4.314 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)CCCOCCc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000176120606 823126819 /nfs/dbraw/zinc/12/68/19/823126819.db2.gz OHHHUVNJFCKJST-ZJSXRUAMSA-N 1 0 394.559 4.195 20 0 GIADRO COc1ccc(C2(C[NH2+][C@@H](Cc3cccc(OC)c3)C3CC3)CCOCC2)cc1 ZINC000121147201 823127156 /nfs/dbraw/zinc/12/71/56/823127156.db2.gz ZAURPZHNMCUJKD-DEOSSOPVSA-N 1 0 395.543 4.363 20 0 GIADRO Cc1nn(-c2ccccc2)cc1C[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000121163022 823130022 /nfs/dbraw/zinc/13/00/22/823130022.db2.gz DTXMTFUBJHTXNV-QHCPKHFHSA-N 1 0 375.472 4.193 20 0 GIADRO CSc1ccc(NC(=O)NC2CC[NH+](CCOC(C)C)CC2)cc1Cl ZINC000176122196 823127608 /nfs/dbraw/zinc/12/76/08/823127608.db2.gz YJTCOCKSOMCPBP-UHFFFAOYSA-N 1 0 385.961 4.073 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)c2cccnc2SC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000176122258 823127613 /nfs/dbraw/zinc/12/76/13/823127613.db2.gz XVCIQBNQNUEJHI-GDBMZVCRSA-N 1 0 391.487 4.179 20 0 GIADRO C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000571070027 823127724 /nfs/dbraw/zinc/12/77/24/823127724.db2.gz BSKYYVJQRCJSNX-KBXCAEBGSA-N 1 0 390.936 4.026 20 0 GIADRO Cc1nn(-c2ccccn2)c(C)c1C[N@@H+]1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000571070438 823127850 /nfs/dbraw/zinc/12/78/50/823127850.db2.gz RPGCBWDPZDDWBZ-LJQANCHMSA-N 1 0 382.895 4.191 20 0 GIADRO COc1cc([C@H](C)[NH2+]CC2(c3ccc(Cl)cc3)CCOCC2)c(F)cn1 ZINC000571072480 823128152 /nfs/dbraw/zinc/12/81/52/823128152.db2.gz RBOWIFMRTFQHRD-AWEZNQCLSA-N 1 0 378.875 4.282 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)c2c(F)c(F)cc(F)c2F)CC[N@@H+]1Cc1ccccc1 ZINC000176123844 823128622 /nfs/dbraw/zinc/12/86/22/823128622.db2.gz OYHNCVHNPOBZHA-OCCSQVGLSA-N 1 0 380.385 4.026 20 0 GIADRO Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000121154349 823128853 /nfs/dbraw/zinc/12/88/53/823128853.db2.gz PXVUDBZXJAFKLL-KXBFYZLASA-N 1 0 390.549 4.203 20 0 GIADRO C[C@H]1C[C@@H](NC(=O)Cc2csc(C(C)(C)C)n2)CC[N@@H+]1Cc1ccccc1 ZINC000176124814 823128865 /nfs/dbraw/zinc/12/88/65/823128865.db2.gz NLXOXFZDYZVLTC-WMZOPIPTSA-N 1 0 385.577 4.152 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]CCCn2ccc3ccccc32)c1 ZINC000121163836 823130459 /nfs/dbraw/zinc/13/04/59/823130459.db2.gz NWNTWAOIEHYXEU-QGZVFWFLSA-N 1 0 395.503 4.056 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(N3CCO[C@H](C)C3)nc1)CCCS2 ZINC000187777426 823131047 /nfs/dbraw/zinc/13/10/47/823131047.db2.gz YVRQFIDXBXIRER-OXQOHEQNSA-N 1 0 399.560 4.032 20 0 GIADRO COc1ccc([C@H](Cc2ccccc2)[NH2+]Cc2ccc(-n3cncn3)cc2)cc1 ZINC000571092126 823131216 /nfs/dbraw/zinc/13/12/16/823131216.db2.gz IXXAIBCPQGCCJY-DEOSSOPVSA-N 1 0 384.483 4.350 20 0 GIADRO C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+]CC1(S(C)(=O)=O)CCCC1 ZINC000571120567 823135437 /nfs/dbraw/zinc/13/54/37/823135437.db2.gz SPWNSVGYJNHGTJ-GXDHUFHOSA-N 1 0 375.456 4.056 20 0 GIADRO C[C@H]1C[C@@H](NC(=O)Cc2c[nH]c3ccc(F)cc23)CC[N@@H+]1Cc1ccccc1 ZINC000176134532 823132325 /nfs/dbraw/zinc/13/23/25/823132325.db2.gz LXFWKBGTNBGKFK-JXFKEZNVSA-N 1 0 379.479 4.019 20 0 GIADRO O=C(c1cc(C2CC2)nc2ccc(Cl)cc21)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000176136427 823132477 /nfs/dbraw/zinc/13/24/77/823132477.db2.gz QSDGVCZHKSAFGS-OAHLLOKOSA-N 1 0 383.923 4.324 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1c2ccccc2O[C@@H]1C ZINC000571120529 823135528 /nfs/dbraw/zinc/13/55/28/823135528.db2.gz RBQLWNSWDFNFHX-KKLQWCBXSA-N 1 0 393.531 4.062 20 0 GIADRO COc1ccccc1NC(=O)C[C@@H](C)[NH2+]Cc1cccc(Br)c1C ZINC000571105814 823133342 /nfs/dbraw/zinc/13/33/42/823133342.db2.gz QRMVKUUPONZMKA-CYBMUJFWSA-N 1 0 391.309 4.273 20 0 GIADRO O=C(NC1CC[NH+](Cc2cccnc2)CC1)C1(c2cccs2)CCCCC1 ZINC000187789522 823133464 /nfs/dbraw/zinc/13/34/64/823133464.db2.gz ZYHBFIGGAGAJFW-UHFFFAOYSA-N 1 0 383.561 4.126 20 0 GIADRO CC(C)(Cc1cccc(Cl)c1)C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000187789572 823133503 /nfs/dbraw/zinc/13/35/03/823133503.db2.gz XCINTJTVNFIDSS-UHFFFAOYSA-N 1 0 385.939 4.085 20 0 GIADRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1cc2ccc(F)cc2nc1C ZINC000121192121 823135585 /nfs/dbraw/zinc/13/55/85/823135585.db2.gz QCJZHUHNJINYKQ-OFNKIYASSA-N 1 0 389.474 4.439 20 0 GIADRO O=C(Nc1ccccc1-c1cccs1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000121183189 823133834 /nfs/dbraw/zinc/13/38/34/823133834.db2.gz KNYYSFDSHMPVSY-VQTJNVASSA-N 1 0 399.560 4.305 20 0 GIADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@@H](C)c2ncc(-c3ccccc3)o2)o1 ZINC000121184846 823134036 /nfs/dbraw/zinc/13/40/36/823134036.db2.gz FGMXOBGGCDFVFM-KRWDZBQOSA-N 1 0 396.491 4.077 20 0 GIADRO CCN(C(=O)NCCC1CC(F)(F)C1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000459145328 823134705 /nfs/dbraw/zinc/13/47/05/823134705.db2.gz WMEIYIOFWRYNCO-APWZRJJASA-N 1 0 379.495 4.289 20 0 GIADRO C[C@H]([NH2+]C1CCN(Cc2ccncc2)CC1)c1ccc(Br)cc1F ZINC000187796276 823135115 /nfs/dbraw/zinc/13/51/15/823135115.db2.gz CAEVGEWSOQZFPK-AWEZNQCLSA-N 1 0 392.316 4.298 20 0 GIADRO Cc1ccc(-c2nc(-c3nc([C@H]4C[N@@H+]5CCC[C@@]5(C)CO4)no3)cs2)cc1 ZINC000571123852 823136077 /nfs/dbraw/zinc/13/60/77/823136077.db2.gz IPAFIFKVAOXTAN-UZLBHIALSA-N 1 0 382.489 4.094 20 0 GIADRO CC(C)N(Cc1cccc(Br)c1)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000459159892 823136262 /nfs/dbraw/zinc/13/62/62/823136262.db2.gz OKRKYPNMRWYKCC-UHFFFAOYSA-N 1 0 396.373 4.244 20 0 GIADRO C[N@H+](Cc1ccccn1)[C@H]1CCCN(C(=O)NCC2(C3CCC3)CCC2)CC1 ZINC000459160289 823136382 /nfs/dbraw/zinc/13/63/82/823136382.db2.gz DQRDILOCTTZUPD-NRFANRHFSA-N 1 0 384.568 4.048 20 0 GIADRO C[C@H](C[C@H](O)c1cccs1)[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000121198402 823137001 /nfs/dbraw/zinc/13/70/01/823137001.db2.gz AMMJGDUAHPSMNR-BEFAXECRSA-N 1 0 378.969 4.468 20 0 GIADRO COc1ccc(C(=O)Nc2cccc(C[N@@H+]3CCC[C@@H](c4cc[nH]n4)C3)c2)cc1 ZINC000121201621 823137578 /nfs/dbraw/zinc/13/75/78/823137578.db2.gz QNCJVXGNZHSMOQ-LJQANCHMSA-N 1 0 390.487 4.050 20 0 GIADRO C[N@H+](CCCCNC(=O)N(Cc1cccs1)C1Cc2ccccc2C1)C1CC1 ZINC000459170892 823137662 /nfs/dbraw/zinc/13/76/62/823137662.db2.gz XLDKCTDVCODCRX-UHFFFAOYSA-N 1 0 397.588 4.302 20 0 GIADRO C[C@H](c1cc(F)ccc1F)N(C)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000056367489 823138272 /nfs/dbraw/zinc/13/82/72/823138272.db2.gz WODIZIKYJWMAIQ-MRXNPFEDSA-N 1 0 387.474 4.463 20 0 GIADRO CCN(Cc1ccc(OC)cc1)C(=O)NCc1ccc(C[NH+](CC)CC)cc1 ZINC000056370687 823138647 /nfs/dbraw/zinc/13/86/47/823138647.db2.gz VBWLWRIWRZBDAX-UHFFFAOYSA-N 1 0 383.536 4.269 20 0 GIADRO COc1cc(C[NH2+]C[C@H](O)c2ccccc2F)c(-c2ccccc2)cc1OC ZINC000121219244 823140990 /nfs/dbraw/zinc/14/09/90/823140990.db2.gz SJNNHXTYYHLOFE-NRFANRHFSA-N 1 0 381.447 4.333 20 0 GIADRO COC(=O)c1csc([C@H](C)[NH2+][C@H]2CCCN(c3ccccc3Cl)C2=O)c1 ZINC000571152655 823141591 /nfs/dbraw/zinc/14/15/91/823141591.db2.gz NYXYUBMFFWAAJA-WFASDCNBSA-N 1 0 392.908 4.034 20 0 GIADRO CC(C)c1ccc([C@@H](NC(=O)N2CC[NH+](C3CCOCC3)CC2)C(C)C)cc1 ZINC000176167501 823141579 /nfs/dbraw/zinc/14/15/79/823141579.db2.gz XBTRGWKTVUPAEX-QFIPXVFZSA-N 1 0 387.568 4.013 20 0 GIADRO Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+](C)[C@H](C)C[S@](C)=O)cc1 ZINC000187829455 823141666 /nfs/dbraw/zinc/14/16/66/823141666.db2.gz HRZFGMHGSOQBGJ-CLYVBNDRSA-N 1 0 381.545 4.047 20 0 GIADRO CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2csc(-c3csc(C)n3)c2)CC1 ZINC000121241516 823145743 /nfs/dbraw/zinc/14/57/43/823145743.db2.gz LICXNQOWXPVZRE-JKSUJKDBSA-N 1 0 392.638 4.104 20 0 GIADRO O=C(NCc1ccc2c[nH+]cn2c1)N1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000459198074 823142612 /nfs/dbraw/zinc/14/26/12/823142612.db2.gz HURKGCXXDNLBSB-UHFFFAOYSA-N 1 0 386.858 4.158 20 0 GIADRO O=C(NCc1ccc2c[nH+]cn2c1)N(Cc1cc(F)ccc1F)C1CCCC1 ZINC000459199867 823142789 /nfs/dbraw/zinc/14/27/89/823142789.db2.gz NMHXPCMURFCXJO-UHFFFAOYSA-N 1 0 384.430 4.267 20 0 GIADRO C[C@H](C[C@H](C)[NH3+])NC(=O)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1 ZINC000571165357 823143267 /nfs/dbraw/zinc/14/32/67/823143267.db2.gz ZCVBEBODXWUYJR-WDEREUQCSA-N 1 0 386.443 4.000 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@H](C)C[C@@H](O)c2cccs2)cc1Cn1cccn1 ZINC000121232021 823143732 /nfs/dbraw/zinc/14/37/32/823143732.db2.gz ZYFQWWAYDNVKSM-JTDSTZFVSA-N 1 0 385.533 4.164 20 0 GIADRO COc1cc(C[N@H+](C)Cc2ccccc2N2CCCC2)ccc1OC(=O)C1CC1 ZINC000121233672 823144020 /nfs/dbraw/zinc/14/40/20/823144020.db2.gz MKAPHXQSKVDCIO-UHFFFAOYSA-N 1 0 394.515 4.243 20 0 GIADRO COc1cc(C[NH2+]C[C@H](O)c2ccccc2F)ccc1OCc1cccs1 ZINC000121234429 823144098 /nfs/dbraw/zinc/14/40/98/823144098.db2.gz MCSHFPNUWAHLTL-IBGZPJMESA-N 1 0 387.476 4.298 20 0 GIADRO Cc1ncncc1[C@H](C)[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000571178879 823144480 /nfs/dbraw/zinc/14/44/80/823144480.db2.gz SKQWWQZJXGOAFY-GKVQRAMASA-N 1 0 390.506 4.243 20 0 GIADRO [NH3+][C@@H]1CCc2ncc(NC(=O)N[C@@H]3CC[C@H](c4cccc(Cl)c4)C3)cc2C1 ZINC000571180275 823144847 /nfs/dbraw/zinc/14/48/47/823144847.db2.gz ASKCFGYVJVNZNG-BMGDILEWSA-N 1 0 384.911 4.009 20 0 GIADRO C[C@H](c1ccccc1Cl)N(C)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000056406721 823144872 /nfs/dbraw/zinc/14/48/72/823144872.db2.gz XSPSJPWWEQEEML-MRXNPFEDSA-N 1 0 386.927 4.102 20 0 GIADRO O=C(NCC[N@@H+]1CCc2ccccc2C1)N[C@H](CC(F)(F)F)c1ccccc1 ZINC000056381384 823140591 /nfs/dbraw/zinc/14/05/91/823140591.db2.gz OAWMBEIAMOFQPP-LJQANCHMSA-N 1 0 391.437 4.038 20 0 GIADRO CC(=O)Nc1ccc2c(C[N@@H+]3CCCCC[C@@H]3c3ccco3)cc(=O)oc2c1 ZINC000121216499 823140567 /nfs/dbraw/zinc/14/05/67/823140567.db2.gz NGXNDLWSLHIXOW-LJQANCHMSA-N 1 0 380.444 4.462 20 0 GIADRO CCOc1c(Cl)cc(C(=O)NC[C@@H]([NH2+][C@@H](C)CC)c2ccco2)cc1OC ZINC000571194888 823146903 /nfs/dbraw/zinc/14/69/03/823146903.db2.gz IKVIYFSWCNWSHL-XJKSGUPXSA-N 1 0 394.899 4.200 20 0 GIADRO O=C(N[C@@H](c1ccc(Cl)cc1)C1CC1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000056421984 823147308 /nfs/dbraw/zinc/14/73/08/823147308.db2.gz ORNQAZUGXBAWLS-OAQYLSRUSA-N 1 0 398.938 4.150 20 0 GIADRO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000056421875 823147338 /nfs/dbraw/zinc/14/73/38/823147338.db2.gz MPLUPDFMTIXBSK-KRWDZBQOSA-N 1 0 392.503 4.195 20 0 GIADRO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000056421894 823147363 /nfs/dbraw/zinc/14/73/63/823147363.db2.gz DHYXEXKMWWVPSV-INIZCTEOSA-N 1 0 386.927 4.102 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)NC[C@@H]2CCc3ccccc32)CC1 ZINC000176188929 823148492 /nfs/dbraw/zinc/14/84/92/823148492.db2.gz PJEPWFXKBSKQDA-NRFANRHFSA-N 1 0 377.532 4.022 20 0 GIADRO CN(C)c1cc(C[NH2+]Cc2cc(O)cc(C(F)(F)F)c2)c2ccccc2n1 ZINC000571212588 823149437 /nfs/dbraw/zinc/14/94/37/823149437.db2.gz ZZPKMRVEZDIXFP-UHFFFAOYSA-N 1 0 375.394 4.315 20 0 GIADRO O=C(N[C@H](c1ccccc1)C1CC1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000056441556 823149776 /nfs/dbraw/zinc/14/97/76/823149776.db2.gz RQRGZLBVLZXYQT-JOCHJYFZSA-N 1 0 381.495 4.241 20 0 GIADRO C[C@H](NC(=O)C1CCCC1)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000056443009 823150075 /nfs/dbraw/zinc/15/00/75/823150075.db2.gz BPJZTHRPQTWDHG-KRWDZBQOSA-N 1 0 385.552 4.085 20 0 GIADRO C[C@H](CCCc1cccnc1)NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000459244196 823150811 /nfs/dbraw/zinc/15/08/11/823150811.db2.gz MTLOILYSHGNJFS-RZUBCFFCSA-N 1 0 386.584 4.089 20 0 GIADRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)NC2CCC(C(F)F)CC2)CC1 ZINC000459251002 823151989 /nfs/dbraw/zinc/15/19/89/823151989.db2.gz LBYGXDKRHHNINJ-UHFFFAOYSA-N 1 0 393.522 4.364 20 0 GIADRO O=C(CCc1ccc(Br)cc1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000176204267 823152197 /nfs/dbraw/zinc/15/21/97/823152197.db2.gz DIELFRXVEGYEBL-UHFFFAOYSA-N 1 0 393.369 4.153 20 0 GIADRO COc1ccc(CN(Cc2ccccc2)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000459263130 823153467 /nfs/dbraw/zinc/15/34/67/823153467.db2.gz LWYDLFOPMMVLDS-NRFANRHFSA-N 1 0 395.547 4.139 20 0 GIADRO CC(C)C[N@@H+](Cc1cnc2c(cnn2C(C)C)c1)C[C@@H](O)c1ccc(F)cc1 ZINC000121280631 823153912 /nfs/dbraw/zinc/15/39/12/823153912.db2.gz CKAOWKPGEGLQBO-OAQYLSRUSA-N 1 0 384.499 4.343 20 0 GIADRO CC(C)N(Cc1cccc(Br)c1)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000459273644 823154975 /nfs/dbraw/zinc/15/49/75/823154975.db2.gz YJGDMQPZXOPRRN-INIZCTEOSA-N 1 0 396.373 4.101 20 0 GIADRO C[N@@H+]1CCC[C@H](CCNC(=O)N(Cc2ccc(F)cc2Cl)CC2CC2)C1 ZINC000459284868 823156136 /nfs/dbraw/zinc/15/61/36/823156136.db2.gz DZMHOKHAKSBPKG-OAHLLOKOSA-N 1 0 381.923 4.133 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)Nc1ccc(Br)cc1 ZINC000459288912 823156813 /nfs/dbraw/zinc/15/68/13/823156813.db2.gz GLCCDYXYBSWIRL-UHFFFAOYSA-N 1 0 382.327 4.106 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)C[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCCC[C@@H]32)c1 ZINC000571258853 823157083 /nfs/dbraw/zinc/15/70/83/823157083.db2.gz YPWUNXHKYKAPPL-ZLNRFVROSA-N 1 0 391.515 4.242 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCCC[C@@H]32)c1 ZINC000571258854 823157121 /nfs/dbraw/zinc/15/71/21/823157121.db2.gz YPWUNXHKYKAPPL-ZRBLBEILSA-N 1 0 391.515 4.242 20 0 GIADRO O=C(NC1CC[NH+](C/C=C/c2ccc(OCc3ccccc3)cc2)CC1)C1CC1 ZINC000459301378 823158567 /nfs/dbraw/zinc/15/85/67/823158567.db2.gz DAQCHJNTLASIMD-QPJJXVBHSA-N 1 0 390.527 4.269 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2cncc(C(F)(F)F)c2)CC1 ZINC000571272434 823158892 /nfs/dbraw/zinc/15/88/92/823158892.db2.gz HJWLWRPROBCEBC-HNNXBMFYSA-N 1 0 383.458 4.217 20 0 GIADRO COc1ccc(-c2ccccc2C)cc1C[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000459305897 823159236 /nfs/dbraw/zinc/15/92/36/823159236.db2.gz HZHFGDYLWOYPEU-UHFFFAOYSA-N 1 0 378.516 4.161 20 0 GIADRO CCCCN(C)C(=O)C1CC[NH+](Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000056495135 823159264 /nfs/dbraw/zinc/15/92/64/823159264.db2.gz KBSJWZCDSADRBA-UHFFFAOYSA-N 1 0 386.458 4.098 20 0 GIADRO CC1CCN(C(=O)C2CC[NH+](Cc3cccc(OCC(F)(F)F)c3)CC2)CC1 ZINC000056495052 823159335 /nfs/dbraw/zinc/15/93/35/823159335.db2.gz OOTXFPJJPCRIFA-UHFFFAOYSA-N 1 0 398.469 4.098 20 0 GIADRO NC(=O)CC[C@@H]1CCC[N@H+](C/C=C\c2ccc(OCc3ccccc3)cc2)C1 ZINC000459317436 823160319 /nfs/dbraw/zinc/16/03/19/823160319.db2.gz AZWNXIZQHSEFQQ-DJHHFUNSSA-N 1 0 378.516 4.256 20 0 GIADRO CCc1nc(-c2nc([C@@H]([NH3+])CC(C)C)no2)nn1-c1c(Cl)cccc1Cl ZINC000571283511 823160402 /nfs/dbraw/zinc/16/04/02/823160402.db2.gz POYASPDZYUBCCM-LBPRGKRZSA-N 1 0 395.294 4.232 20 0 GIADRO C[N@@H+]1CCC[C@H](CCNC(=O)N2CCC(F)(c3ccc(Cl)cc3)CC2)C1 ZINC000459319144 823160635 /nfs/dbraw/zinc/16/06/35/823160635.db2.gz RLPWVUOHCVBTJR-MRXNPFEDSA-N 1 0 381.923 4.042 20 0 GIADRO O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000176243527 823161641 /nfs/dbraw/zinc/16/16/41/823161641.db2.gz ROWDUJMIDPLFKN-NJYVYQBISA-N 1 0 398.572 4.075 20 0 GIADRO Cc1cccc([C@@H](NC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)C(F)(F)F)c1 ZINC000571300145 823162096 /nfs/dbraw/zinc/16/20/96/823162096.db2.gz DPQJQSDXXMDNHX-QGZVFWFLSA-N 1 0 381.373 4.205 20 0 GIADRO Fc1ccc2[nH]cc(C3CC[NH+](Cc4ccc(-n5cncn5)c(F)c4)CC3)c2c1 ZINC000571328908 823166238 /nfs/dbraw/zinc/16/62/38/823166238.db2.gz REXQBOGAKGTRHY-UHFFFAOYSA-N 1 0 393.441 4.406 20 0 GIADRO C[C@@H]1C[N@@H+](CC2CCN(C(=O)c3ccc(Oc4ccccc4)o3)CC2)C[C@H](C)O1 ZINC000176257518 823164654 /nfs/dbraw/zinc/16/46/54/823164654.db2.gz VFPJXAZGALCZGY-HDICACEKSA-N 1 0 398.503 4.033 20 0 GIADRO CC(C)CC[NH+]1CCC(CNC(=O)c2ccccc2NCc2cccnc2)CC1 ZINC000176261074 823165798 /nfs/dbraw/zinc/16/57/98/823165798.db2.gz INYCCTYGGIIBCE-UHFFFAOYSA-N 1 0 394.563 4.182 20 0 GIADRO C[C@H](Nc1ccccc1C[N@@H+]1CCC[C@H](C(N)=O)C1)c1cc2ccccc2o1 ZINC000459344201 823166553 /nfs/dbraw/zinc/16/65/53/823166553.db2.gz BBRUJKODQFUTBZ-LPHOPBHVSA-N 1 0 377.488 4.303 20 0 GIADRO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1csc(-c2ccc(C(N)=O)cc2)n1 ZINC000121370786 823172121 /nfs/dbraw/zinc/17/21/21/823172121.db2.gz ORQGYJLDHYLVPE-RDTXWAMCSA-N 1 0 395.503 4.426 20 0 GIADRO CCOc1cc(C[N@@H+]2C[C@H](O)C[C@@H]2c2ccc(C(F)(F)F)cc2)ccc1O ZINC000459350500 823168324 /nfs/dbraw/zinc/16/83/24/823168324.db2.gz FQQVCHWBQBSMRX-IAGOWNOFSA-N 1 0 381.394 4.118 20 0 GIADRO CCOc1cc(C[N@@H+]2C[C@@H](O)C[C@@H]2c2ccc(C(F)(F)F)cc2)ccc1O ZINC000459350494 823168367 /nfs/dbraw/zinc/16/83/67/823168367.db2.gz FQQVCHWBQBSMRX-DLBZAZTESA-N 1 0 381.394 4.118 20 0 GIADRO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)N1CCC[C@@H]1c1ccccn1 ZINC000056555510 823168800 /nfs/dbraw/zinc/16/88/00/823168800.db2.gz REIJNZVWLQMBPU-NHCUHLMSSA-N 1 0 398.938 4.419 20 0 GIADRO O=C(Nc1cccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1)c1cccc(F)c1 ZINC000121357150 823169702 /nfs/dbraw/zinc/16/97/02/823169702.db2.gz YHVZWTSNPXTLQM-HBMCJLEFSA-N 1 0 380.463 4.125 20 0 GIADRO Oc1cccc(C[N@@H+]2CC[C@H](COCc3ccccc3)C2)c1Br ZINC000459361422 823171887 /nfs/dbraw/zinc/17/18/87/823171887.db2.gz GKTVILXXDQWVBG-INIZCTEOSA-N 1 0 376.294 4.193 20 0 GIADRO O=C(Nc1ccccc1N1CCCC1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000056561035 823169962 /nfs/dbraw/zinc/16/99/62/823169962.db2.gz PVQCXHKUQFKISB-UHFFFAOYSA-N 1 0 384.568 4.407 20 0 GIADRO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@H]1COc2ccc(F)cc2C1 ZINC000571358917 823170333 /nfs/dbraw/zinc/17/03/33/823170333.db2.gz GVGFGJHTVLWIRF-IUODEOHRSA-N 1 0 396.384 4.155 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@H](C)c2ccccc2Cl)c1 ZINC000121372001 823172020 /nfs/dbraw/zinc/17/20/20/823172020.db2.gz ZWKHRKCCYARUIQ-UONOGXRCSA-N 1 0 376.884 4.425 20 0 GIADRO C[C@@H](Oc1ccccc1NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C(F)(F)F ZINC000571361441 823171091 /nfs/dbraw/zinc/17/10/91/823171091.db2.gz WVUNDCRTFSSURP-QWHCGFSZSA-N 1 0 375.435 4.114 20 0 GIADRO CCCC[NH+]1CCC(NC(=O)Nc2cc(F)c(Br)cc2F)CC1 ZINC000121372796 823172386 /nfs/dbraw/zinc/17/23/86/823172386.db2.gz WTSOUNXUEZSLPT-UHFFFAOYSA-N 1 0 390.272 4.113 20 0 GIADRO Cc1cccnc1[C@H]([NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1)C(C)C ZINC000188017632 823172447 /nfs/dbraw/zinc/17/24/47/823172447.db2.gz ACKVIRHLGVJMIL-WIXQSORDSA-N 1 0 391.515 4.284 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccoc1C(F)(F)F ZINC000571367840 823172532 /nfs/dbraw/zinc/17/25/32/823172532.db2.gz ANGFFPLHXSAVES-MRXNPFEDSA-N 1 0 380.410 4.283 20 0 GIADRO Cc1cccc([C@H]2CCCN2C(=O)Nc2ccccc2N2CC[NH+](C)CC2)c1 ZINC000056572630 823172601 /nfs/dbraw/zinc/17/26/01/823172601.db2.gz YZBCOIGROUTQQY-OAQYLSRUSA-N 1 0 378.520 4.116 20 0 GIADRO C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@H]1c2ccccc2CC12CCOCC2 ZINC000571369236 823173002 /nfs/dbraw/zinc/17/30/02/823173002.db2.gz WDUBRCAWNRQFQP-ZHRRBRCNSA-N 1 0 382.479 4.227 20 0 GIADRO C[C@@](O)(C[NH2+][C@H](Cc1ccccc1)c1nc2ccccc2s1)C(F)(F)F ZINC000571396599 823177121 /nfs/dbraw/zinc/17/71/21/823177121.db2.gz JFDXLLDHZPKDGY-CRAIPNDOSA-N 1 0 380.435 4.483 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(NC(=O)c3cccc(F)c3)c2)[C@H]1SC ZINC000459378301 823177179 /nfs/dbraw/zinc/17/71/79/823177179.db2.gz VXGFNYCBAVBVSC-XUVXKRRUSA-N 1 0 388.508 4.077 20 0 GIADRO O=C(Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1csc(Cl)c1 ZINC000188023936 823173346 /nfs/dbraw/zinc/17/33/46/823173346.db2.gz LUKRGZYPQQPWST-MRXNPFEDSA-N 1 0 386.908 4.297 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N1CCC[C@H]1c1ccccn1 ZINC000056578477 823173949 /nfs/dbraw/zinc/17/39/49/823173949.db2.gz UXJHLLAWVMVFMN-QFIPXVFZSA-N 1 0 378.520 4.114 20 0 GIADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(NC(=O)c3ccc(F)cc3)c2)[C@H]1SC ZINC000459369094 823174536 /nfs/dbraw/zinc/17/45/36/823174536.db2.gz HCUMTTJVYJLNOR-VAMGGRTRSA-N 1 0 388.508 4.077 20 0 GIADRO CC(C)C[NH+]1CCC(NCc2cn(C3CCCC3)nc2-c2ccccn2)CC1 ZINC000459370277 823174814 /nfs/dbraw/zinc/17/48/14/823174814.db2.gz RFJFPFQKSWEGKN-UHFFFAOYSA-N 1 0 381.568 4.270 20 0 GIADRO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H](C)c2cccc(Cl)c2)c(OC)c1 ZINC000121385739 823174924 /nfs/dbraw/zinc/17/49/24/823174924.db2.gz PSCBGRCUBUODHL-UONOGXRCSA-N 1 0 376.884 4.425 20 0 GIADRO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CC[C@]3(CCOC3)C2)cc1 ZINC000176295467 823175247 /nfs/dbraw/zinc/17/52/47/823175247.db2.gz HIATXCJMUHQRNL-DEOSSOPVSA-N 1 0 389.499 4.160 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2Cn2ccnc2)[C@H]1Sc1ccccc1 ZINC000459372948 823175361 /nfs/dbraw/zinc/17/53/61/823175361.db2.gz UZOFCWUFVNNWKC-YTFSRNRJSA-N 1 0 393.556 4.359 20 0 GIADRO COc1ccc(OC(F)F)c(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000176296887 823175532 /nfs/dbraw/zinc/17/55/32/823175532.db2.gz BWZCNWQXNHYLKF-UHFFFAOYSA-N 1 0 397.466 4.215 20 0 GIADRO CC(C)CC(=O)Nc1ccc(NC(=O)N2CC[NH+](CCC(C)(C)C)CC2)cc1 ZINC000056588434 823175598 /nfs/dbraw/zinc/17/55/98/823175598.db2.gz YHQWOYQFDVZLGX-UHFFFAOYSA-N 1 0 388.556 4.257 20 0 GIADRO CCn1nnc(C)c1C[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3OC)cs2)C1 ZINC000571391916 823176512 /nfs/dbraw/zinc/17/65/12/823176512.db2.gz GDQCWOFAHWRKNY-MRXNPFEDSA-N 1 0 397.548 4.118 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)NCc2csc(-c3ccco3)n2)CC1 ZINC000121396439 823176989 /nfs/dbraw/zinc/17/69/89/823176989.db2.gz PXRXQBFLHIYENZ-UHFFFAOYSA-N 1 0 390.553 4.057 20 0 GIADRO Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000571401065 823177809 /nfs/dbraw/zinc/17/78/09/823177809.db2.gz OKGYHKXTGRDKMV-MOPGFXCFSA-N 1 0 391.437 4.256 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)NCCc2ccc(F)c(Br)c2)c1 ZINC000056601049 823178050 /nfs/dbraw/zinc/17/80/50/823178050.db2.gz USPDYRJUUVZEMZ-UHFFFAOYSA-N 1 0 394.288 4.014 20 0 GIADRO CC(C)n1cnnc1-c1ccccc1NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000176308081 823178269 /nfs/dbraw/zinc/17/82/69/823178269.db2.gz XWSMCXNBNLMPQU-GOSISDBHSA-N 1 0 386.544 4.014 20 0 GIADRO CC(=O)Nc1ccc(C[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)cc1 ZINC000459381747 823178309 /nfs/dbraw/zinc/17/83/09/823178309.db2.gz DFHIEUDLZSYCME-UHFFFAOYSA-N 1 0 389.503 4.308 20 0 GIADRO COc1ccc(-c2nc3c(s2)[C@H]([NH2+]Cc2cn4cccnc4n2)CCC3)cc1 ZINC000459398508 823183495 /nfs/dbraw/zinc/18/34/95/823183495.db2.gz IKSYPVYJHOVMHK-QGZVFWFLSA-N 1 0 391.500 4.029 20 0 GIADRO CCN(CCC[NH+](CC)CC)C(=O)c1ccccc1NC(=O)c1ccsc1 ZINC000188058441 823179489 /nfs/dbraw/zinc/17/94/89/823179489.db2.gz LTLCABVKERSHSI-UHFFFAOYSA-N 1 0 387.549 4.194 20 0 GIADRO Clc1cccc(N2CCOCC2)c1C[NH2+]C1CC(OCc2ccccc2)C1 ZINC000571415446 823179798 /nfs/dbraw/zinc/17/97/98/823179798.db2.gz NSSRBDGRVXKGGC-UHFFFAOYSA-N 1 0 386.923 4.014 20 0 GIADRO Cc1ccccc1C1(C[NH2+]Cc2ccccc2N2CCO[C@H](C)C2)CCOCC1 ZINC000459386186 823179964 /nfs/dbraw/zinc/17/99/64/823179964.db2.gz AUKXJOMFQWTYLI-OAQYLSRUSA-N 1 0 394.559 4.058 20 0 GIADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(C(=O)NC3CC3)c2)[C@H]1Sc1ccccc1 ZINC000459389033 823180636 /nfs/dbraw/zinc/18/06/36/823180636.db2.gz QCPQOGFDPJVAJF-YPAWHYETSA-N 1 0 396.556 4.007 20 0 GIADRO C[NH+](C)CC1CCC(NC(=O)C2(Cc3ccc(OC(F)(F)F)cc3)CC2)CC1 ZINC000188064795 823180796 /nfs/dbraw/zinc/18/07/96/823180796.db2.gz XSIUFBDSXJFBRO-UHFFFAOYSA-N 1 0 398.469 4.145 20 0 GIADRO CCC[C@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)c1ccc(F)cc1F ZINC000571427790 823181195 /nfs/dbraw/zinc/18/11/95/823181195.db2.gz JEHCMTKPAVQSLQ-LPHOPBHVSA-N 1 0 382.520 4.140 20 0 GIADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cn3cnc4ccccc43)cc2)[C@H]1SC ZINC000459391381 823181374 /nfs/dbraw/zinc/18/13/74/823181374.db2.gz QYDFMMSANAKASF-CEMLEFRQSA-N 1 0 381.545 4.083 20 0 GIADRO Cc1cc(CNC(=O)N2CCC([NH+]3CCCC3)CC2)ccc1-c1ccccc1 ZINC000188070024 823181514 /nfs/dbraw/zinc/18/15/14/823181514.db2.gz SSHSHLFURACPIG-UHFFFAOYSA-N 1 0 377.532 4.432 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1cccc(N2CCCS2(=O)=O)c1)c1cc2ccccc2o1 ZINC000188069929 823181559 /nfs/dbraw/zinc/18/15/59/823181559.db2.gz JOULMDCBTXYAJZ-HZPDHXFCSA-N 1 0 384.501 4.385 20 0 GIADRO Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000056618566 823182086 /nfs/dbraw/zinc/18/20/86/823182086.db2.gz PVZUSQZKQMQLDD-GOSISDBHSA-N 1 0 394.519 4.243 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@H]2CCOc3c(F)cccc32)CC1 ZINC000188073448 823182249 /nfs/dbraw/zinc/18/22/49/823182249.db2.gz RNYPNGBUZYXQOR-KKSFZXQISA-N 1 0 397.494 4.174 20 0 GIADRO CCOc1ccc(C2(C[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCCC4)CCOCC2)cc1 ZINC000121428107 823182726 /nfs/dbraw/zinc/18/27/26/823182726.db2.gz OHZZDDCXZMXRNR-VSKRKVRLSA-N 1 0 385.548 4.071 20 0 GIADRO COCc1c(Br)cccc1NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000176346361 823188540 /nfs/dbraw/zinc/18/85/40/823188540.db2.gz NHJALRMRZUSPNY-CQSZACIVSA-N 1 0 395.341 4.189 20 0 GIADRO CNC(=O)C1CCC([NH2+]C/C=C/c2ccc(OCc3ccccc3)cc2)CC1 ZINC000459399965 823183875 /nfs/dbraw/zinc/18/38/75/823183875.db2.gz VUMTYCGPQUNZGW-VMPITWQZSA-N 1 0 378.516 4.173 20 0 GIADRO CCC(CC)[C@H](CNC(=O)Nc1ccccc1-c1nncn1C(C)C)[NH+](C)C ZINC000176331010 823183987 /nfs/dbraw/zinc/18/39/87/823183987.db2.gz XMMZGSRDGCXPBX-IBGZPJMESA-N 1 0 386.544 4.014 20 0 GIADRO CCOc1cc(C[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)cc(Cl)c1O ZINC000459400841 823184238 /nfs/dbraw/zinc/18/42/38/823184238.db2.gz WYIMNIMWVOJJNY-CQSZACIVSA-N 1 0 388.895 4.422 20 0 GIADRO Cc1cc(Br)ccc1C[NH2+]Cc1ccccc1N1CCO[C@@H](C)C1 ZINC000459419755 823188614 /nfs/dbraw/zinc/18/86/14/823188614.db2.gz XBNQKGCTRIFIRJ-INIZCTEOSA-N 1 0 389.337 4.272 20 0 GIADRO COc1ccc([C@@H]([NH2+]CCc2cncn2C)c2ccc(C(F)(F)F)cc2)cc1 ZINC000459401968 823184781 /nfs/dbraw/zinc/18/47/81/823184781.db2.gz OAEPLTDFTIHLBP-FQEVSTJZSA-N 1 0 389.421 4.369 20 0 GIADRO Cc1cc(C[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)cc(N2CCCC2)n1 ZINC000571452134 823185009 /nfs/dbraw/zinc/18/50/09/823185009.db2.gz OBXLSNOBEKOMIG-UHFFFAOYSA-N 1 0 387.911 4.095 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H]2CCc3ccc(-c4ccccc4)cc32)CC[N@@H+]1C ZINC000188091987 823185088 /nfs/dbraw/zinc/18/50/88/823185088.db2.gz DKQNZVHYBNPNFY-FRGLQRNOSA-N 1 0 377.532 4.465 20 0 GIADRO CC(C)Cc1ccc([C@@H](CNC(=O)c2ncccc2C(F)(F)F)[NH+](C)C)cc1 ZINC000571455140 823185255 /nfs/dbraw/zinc/18/52/55/823185255.db2.gz FCCYEMRCSWYIJR-GOSISDBHSA-N 1 0 393.453 4.332 20 0 GIADRO CCOC[C@@H]1CC[N@@H+]([C@H](C(=O)Nc2ccccc2OCC)c2ccccc2)C1 ZINC000176335269 823185300 /nfs/dbraw/zinc/18/53/00/823185300.db2.gz WFHGURHXIXIUFV-GCJKJVERSA-N 1 0 382.504 4.124 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H](C)c1nc(C)cs1 ZINC000176336130 823185577 /nfs/dbraw/zinc/18/55/77/823185577.db2.gz YLDSJJFSKHYXFO-PKOBYXMFSA-N 1 0 386.565 4.066 20 0 GIADRO CSc1ccc([C@@H](C[NH2+][C@@H](C)CC(=O)Nc2cccc(F)c2)N(C)C)cc1 ZINC000571458294 823185774 /nfs/dbraw/zinc/18/57/74/823185774.db2.gz UGDBWZUVTBGHES-MGPUTAFESA-N 1 0 389.540 4.157 20 0 GIADRO CC(=O)NC1CCC([NH2+]C/C=C/c2ccc(OCc3ccccc3)cc2)CC1 ZINC000459405781 823185910 /nfs/dbraw/zinc/18/59/10/823185910.db2.gz UFEUOWLWMNMZBB-VMPITWQZSA-N 1 0 378.516 4.316 20 0 GIADRO Cc1ccc(NC(=O)N(C)[C@@H](C)Cc2cccc(F)c2)c(OCC[NH+](C)C)c1 ZINC000459406290 823185914 /nfs/dbraw/zinc/18/59/14/823185914.db2.gz CKULNWJKFQFZSK-KRWDZBQOSA-N 1 0 387.499 4.169 20 0 GIADRO CC1(C)C(=O)N[C@@H]1C1CC[NH+](CC/C=C/c2ccc(Br)cc2)CC1 ZINC000571460989 823186004 /nfs/dbraw/zinc/18/60/04/823186004.db2.gz BPWPDULFKNGUDD-YWPBOTNQSA-N 1 0 391.353 4.089 20 0 GIADRO Cc1ccc([C@@H]2OCCC[C@H]2C[NH2+]Cc2ccccc2N2CCO[C@@H](C)C2)cc1 ZINC000459410299 823186785 /nfs/dbraw/zinc/18/67/85/823186785.db2.gz CGWXDLGAAOKZSQ-OPHFCASCSA-N 1 0 394.559 4.478 20 0 GIADRO Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+]Cc2ccccc2N2CCO[C@H](C)C2)cc1 ZINC000459410310 823186823 /nfs/dbraw/zinc/18/68/23/823186823.db2.gz CGWXDLGAAOKZSQ-XRODADMRSA-N 1 0 394.559 4.478 20 0 GIADRO CCOc1cc(CNC[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc(Cl)c1O ZINC000459413934 823187614 /nfs/dbraw/zinc/18/76/14/823187614.db2.gz YEGSFLQFTMYVBR-SFHVURJKSA-N 1 0 388.939 4.099 20 0 GIADRO CN(C)c1ccc(Cl)cc1NC(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000459414912 823187707 /nfs/dbraw/zinc/18/77/07/823187707.db2.gz VXWIEYIXPCAGEY-UHFFFAOYSA-N 1 0 380.945 4.063 20 0 GIADRO CSc1ccc([C@H](CNC(=O)c2ncoc2-c2ccc(C)cc2)[NH+](C)C)cc1 ZINC000571478758 823189070 /nfs/dbraw/zinc/18/90/70/823189070.db2.gz SSAYNMQWGVNZED-IBGZPJMESA-N 1 0 395.528 4.405 20 0 GIADRO CC(C)(CCS(C)(=O)=O)[NH2+]C/C=C/c1ccc(OCc2ccccc2)cc1 ZINC000459417563 823188287 /nfs/dbraw/zinc/18/82/87/823188287.db2.gz DNSIRTYWMNOKAD-JXMROGBWSA-N 1 0 387.545 4.082 20 0 GIADRO COc1cc(NC(=O)CC[NH2+][C@@H](C)CCc2ccccc2)c(OC)cc1Cl ZINC000571484473 823189957 /nfs/dbraw/zinc/18/99/57/823189957.db2.gz FRWHTJIRDQLUIE-HNNXBMFYSA-N 1 0 390.911 4.297 20 0 GIADRO COCc1cc(C[NH2+][C@@H](C)Cc2ccc(OCc3ccc(C)cc3)cc2)no1 ZINC000459427331 823190201 /nfs/dbraw/zinc/19/02/01/823190201.db2.gz MZLJICAUZYEZND-SFHVURJKSA-N 1 0 380.488 4.429 20 0 GIADRO COc1ccc(C(=O)CCCCCC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000188125775 823190259 /nfs/dbraw/zinc/19/02/59/823190259.db2.gz DRZFWQVTXFRSJL-UHFFFAOYSA-N 1 0 388.552 4.254 20 0 GIADRO CCOc1cc(C[NH2+][C@H]2CCCC[C@H]2n2cccn2)cc(Br)c1O ZINC000459434259 823191150 /nfs/dbraw/zinc/19/11/50/823191150.db2.gz HOSJKDRQCHJHGL-JKSUJKDBSA-N 1 0 394.313 4.023 20 0 GIADRO C[C@H]1CN(c2ccccc2C[NH2+][C@@H]2CC(C)(C)Oc3cc(F)ccc32)CCO1 ZINC000459433559 823191322 /nfs/dbraw/zinc/19/13/22/823191322.db2.gz LWQUNTJYFGWOII-OXJNMPFZSA-N 1 0 384.495 4.443 20 0 GIADRO C[C@@H]1CN(c2ccccc2C[NH2+]C[C@@H]2CCCN(C)[C@@H]2c2cccs2)CCO1 ZINC000459434481 823191459 /nfs/dbraw/zinc/19/14/59/823191459.db2.gz OTESZCITSAXNDO-RFWXGWTQSA-N 1 0 399.604 4.146 20 0 GIADRO Cc1nccn1-c1ccc(C[NH2+][C@H](C)Cc2ccc(Br)cc2)cn1 ZINC000188134472 823191709 /nfs/dbraw/zinc/19/17/09/823191709.db2.gz OGWKAYIZQQOFDR-CQSZACIVSA-N 1 0 385.309 4.059 20 0 GIADRO C[NH+](C)CCN(Cc1cccs1)C(=O)N[C@H]1CCSc2ccc(F)cc21 ZINC000176368578 823192541 /nfs/dbraw/zinc/19/25/41/823192541.db2.gz QCDKPRVGYIUJCP-KRWDZBQOSA-N 1 0 393.553 4.198 20 0 GIADRO CN(Cc1ccccc1)c1ccc(NC(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000056679248 823192853 /nfs/dbraw/zinc/19/28/53/823192853.db2.gz SDFDATKHUPWENN-UHFFFAOYSA-N 1 0 378.520 4.071 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(C(=O)Nc3ccc(F)cc3)cc2)[C@@H]1SC ZINC000459443489 823193017 /nfs/dbraw/zinc/19/30/17/823193017.db2.gz QCJLAJKKPMORJN-ZCNNSNEGSA-N 1 0 388.508 4.077 20 0 GIADRO COc1ccc(C[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)c(F)c1 ZINC000459442631 823193108 /nfs/dbraw/zinc/19/31/08/823193108.db2.gz PMRHYBJHQMXLEF-UHFFFAOYSA-N 1 0 380.467 4.498 20 0 GIADRO COCCCC[C@@H]([NH2+]Cc1cc(=O)[nH]c(-c2ccccc2)n1)c1ccccc1 ZINC000459443591 823193380 /nfs/dbraw/zinc/19/33/80/823193380.db2.gz QJVCRFOJTXHOFD-OAQYLSRUSA-N 1 0 377.488 4.497 20 0 GIADRO C[C@H](C[NH2+]C1CCN(Cc2ccncc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000188144767 823193495 /nfs/dbraw/zinc/19/34/95/823193495.db2.gz BOCGSMPUWMUPTE-MRXNPFEDSA-N 1 0 377.454 4.458 20 0 GIADRO C[C@@H]1[N@H+](CC2=Cc3cc(Br)ccc3OC2)CCC12CCOCC2 ZINC000571527148 823195829 /nfs/dbraw/zinc/19/58/29/823195829.db2.gz GUPJRPKUAIKLEI-AWEZNQCLSA-N 1 0 378.310 4.116 20 0 GIADRO O=C(Nc1ccc(F)cc1OC(F)F)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176379472 823194178 /nfs/dbraw/zinc/19/41/78/823194178.db2.gz XNEBMRIFJWWIDJ-UHFFFAOYSA-N 1 0 385.430 4.346 20 0 GIADRO CC[N@@H+]1CC[C@H](CNC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)C1 ZINC000121495810 823194468 /nfs/dbraw/zinc/19/44/68/823194468.db2.gz PYRSXBKAEUUDGI-QGZVFWFLSA-N 1 0 375.472 4.080 20 0 GIADRO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2c(C)cc(C)cc2C)[C@H]1Sc1ccccc1 ZINC000459457454 823196038 /nfs/dbraw/zinc/19/60/38/823196038.db2.gz GXGYDLJJBOSOGV-TXTKFYIRSA-N 1 0 398.572 4.478 20 0 GIADRO CCOc1cc(C[NH2+]C[C@H](C)c2nc(-c3ccccc3)no2)cc(Cl)c1O ZINC000459452535 823194820 /nfs/dbraw/zinc/19/48/20/823194820.db2.gz LZXYILQUGNXXDS-ZDUSSCGKSA-N 1 0 387.867 4.388 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(-c3cccs3)n(-c3ccccc3)n2)C1 ZINC000121496168 823194811 /nfs/dbraw/zinc/19/48/11/823194811.db2.gz GENNZFZAUJSEAF-QGZVFWFLSA-N 1 0 394.544 4.015 20 0 GIADRO CCOc1cc(C[NH2+]C[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)ccc1O ZINC000459461159 823196852 /nfs/dbraw/zinc/19/68/52/823196852.db2.gz JUAXUQOOWAULRO-KKSFZXQISA-N 1 0 392.902 4.366 20 0 GIADRO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)C[C@H](C)O1 ZINC000176393219 823197608 /nfs/dbraw/zinc/19/76/08/823197608.db2.gz KCHGJYJWWSDNTN-IYBDPMFKSA-N 1 0 379.932 4.083 20 0 GIADRO CN(CC[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1)Cc1ccccc1 ZINC000459465702 823197797 /nfs/dbraw/zinc/19/77/97/823197797.db2.gz JBXWPTPCJPGHEW-UHFFFAOYSA-N 1 0 389.547 4.282 20 0 GIADRO O=C(c1ccncc1)N1CCC([NH2+][C@H]2CCC[C@@H]2c2ccccc2Cl)CC1 ZINC000459465018 823197961 /nfs/dbraw/zinc/19/79/61/823197961.db2.gz NBXWLLDSJHBTDS-CTNGQTDRSA-N 1 0 383.923 4.266 20 0 GIADRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](c1ccccc1)c1ccc(Br)cc1)CC2 ZINC000188175975 823198199 /nfs/dbraw/zinc/19/81/99/823198199.db2.gz ROOPZEJEFNKCCR-UYAOXDASSA-N 1 0 397.320 4.043 20 0 GIADRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](c1ccccc1)c1ccc(Br)cc1)CC2 ZINC000188175997 823198249 /nfs/dbraw/zinc/19/82/49/823198249.db2.gz ROOPZEJEFNKCCR-AZUAARDMSA-N 1 0 397.320 4.043 20 0 GIADRO COc1c(F)cc(NC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cc1F ZINC000056716039 823198303 /nfs/dbraw/zinc/19/83/03/823198303.db2.gz VZQYBNRXNATPSD-UHFFFAOYSA-N 1 0 389.446 4.068 20 0 GIADRO COCc1cc(CNc2ccc(C[N@H+](C[C@H]3CCCCO3)C(C)C)cc2)no1 ZINC000459481449 823201473 /nfs/dbraw/zinc/20/14/73/823201473.db2.gz KYNFEYVEILSQTI-OAQYLSRUSA-N 1 0 387.524 4.213 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+]Cc2cc(=O)[nH]c(-c3ccccc3)n2)cc1OCC ZINC000459474150 823199786 /nfs/dbraw/zinc/19/97/86/823199786.db2.gz POCGIIDFMFFPOC-INIZCTEOSA-N 1 0 393.487 4.497 20 0 GIADRO CCOc1cc(C[NH2+][C@@H]2CCO[C@H](CC(C)C)C2)cc(Br)c1O ZINC000459476375 823200516 /nfs/dbraw/zinc/20/05/16/823200516.db2.gz XVYYNUXZDDKQML-HUUCEWRRSA-N 1 0 386.330 4.237 20 0 GIADRO C[C@@H](NC(=O)c1ccccc1CC1CC[NH2+]CC1)c1ncc(-c2ccccc2)o1 ZINC000571563281 823200813 /nfs/dbraw/zinc/20/08/13/823200813.db2.gz WMQPIBRMAGQYPF-QGZVFWFLSA-N 1 0 389.499 4.375 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2cccc(OCC(F)(F)F)c2)C1)CC(F)(F)F ZINC000176408541 823202006 /nfs/dbraw/zinc/20/20/06/823202006.db2.gz FVZUWBQAOWOEDP-OAHLLOKOSA-N 1 0 398.391 4.334 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(C(C)C)nn2-c2ccccc2)[C@@H](C)C1 ZINC000571572998 823202432 /nfs/dbraw/zinc/20/24/32/823202432.db2.gz JWUCQVOKETULGA-FXAWDEMLSA-N 1 0 383.540 4.190 20 0 GIADRO CS(=O)(=O)c1cccc([C@@H]([NH2+]C2CC3(CCC3)C2)c2cc(F)ccc2F)c1 ZINC000459487135 823202580 /nfs/dbraw/zinc/20/25/80/823202580.db2.gz VPAIIFOGUDEZSN-HXUWFJFHSA-N 1 0 391.483 4.380 20 0 GIADRO COc1ccc(C[C@](C)(O)C[NH2+]Cc2csc(Cl)c2Cl)cc1OC ZINC000571573889 823202811 /nfs/dbraw/zinc/20/28/11/823202811.db2.gz HKMFLYPSAMJEBU-KRWDZBQOSA-N 1 0 390.332 4.155 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(c1ccccc1)c1ccccc1)c1ccc(S(N)(=O)=O)cc1 ZINC000121545114 823203552 /nfs/dbraw/zinc/20/35/52/823203552.db2.gz MTIVTWWJMJYHHC-MSOLQXFVSA-N 1 0 394.540 4.205 20 0 GIADRO COc1ccc(-c2csc(CNC(=O)NC3C[C@H]4CCC[C@@H](C3)[N@H+]4C)c2)cc1 ZINC000176420603 823204592 /nfs/dbraw/zinc/20/45/92/823204592.db2.gz OGIXFGVCDAQVQJ-YQQQUEKLSA-N 1 0 399.560 4.238 20 0 GIADRO C[NH+](C)C[C@@H](NC(=O)c1ccc(Oc2ccccc2)nc1)c1ccc(F)cc1 ZINC000571593312 823204900 /nfs/dbraw/zinc/20/49/00/823204900.db2.gz BRAMZRHUGVREDP-HXUWFJFHSA-N 1 0 379.435 4.046 20 0 GIADRO C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+](C)CCc1ccncc1 ZINC000121557533 823205342 /nfs/dbraw/zinc/20/53/42/823205342.db2.gz QXQRLDYHJKUIJL-LBPRGKRZSA-N 1 0 385.817 4.255 20 0 GIADRO COc1ccc(-c2noc([C@@H](C)[N@@H+]3CC[C@]4(C3)CCc3ccccc3O4)n2)cc1 ZINC000571604796 823206824 /nfs/dbraw/zinc/20/68/24/823206824.db2.gz ZXFQRIDLJXXQBG-MWTRTKDXSA-N 1 0 391.471 4.276 20 0 GIADRO C[C@@H]1CN(c2ccccc2C[NH2+]C[C@H](c2ccccc2)C(F)(F)F)CCO1 ZINC000459507501 823207032 /nfs/dbraw/zinc/20/70/32/823207032.db2.gz VWOUJFFPMFSMKK-VQIMIIECSA-N 1 0 378.438 4.347 20 0 GIADRO c1ccc(Oc2ccc(C[NH+]3CCC4(CC3)OCCc3ccccc34)nn2)cc1 ZINC000459511455 823208028 /nfs/dbraw/zinc/20/80/28/823208028.db2.gz DJODIZGKRPSNRG-UHFFFAOYSA-N 1 0 387.483 4.333 20 0 GIADRO CC1CC[NH+]([C@@H](CNC(=O)N2CCC(F)(F)[C@@H](C)C2)c2cccs2)CC1 ZINC000571609654 823208139 /nfs/dbraw/zinc/20/81/39/823208139.db2.gz YPOLDDSVMOZNED-HOTGVXAUSA-N 1 0 385.524 4.208 20 0 GIADRO Cc1cc(C[NH2+]C[C@@H](c2ccc(Cl)cc2)N(C)CCC(F)(F)F)no1 ZINC000459514935 823208844 /nfs/dbraw/zinc/20/88/44/823208844.db2.gz CPGJWMPRYQBHGB-INIZCTEOSA-N 1 0 375.822 4.352 20 0 GIADRO COc1ccc([C@H](Cc2ccccc2)[NH2+]Cc2cc(=O)[nH]c(C3CC3)n2)cc1 ZINC000459521007 823210075 /nfs/dbraw/zinc/21/00/75/823210075.db2.gz GVXMSWSCHISNOY-NRFANRHFSA-N 1 0 375.472 4.142 20 0 GIADRO COCc1cc(C[NH2+][C@@H](Cc2cccc(Br)c2)CC2CC2)no1 ZINC000459523336 823210736 /nfs/dbraw/zinc/21/07/36/823210736.db2.gz IHGJYNMGURBING-MRXNPFEDSA-N 1 0 379.298 4.085 20 0 GIADRO CCOCCOc1ccc(Cl)cc1NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000176455726 823211329 /nfs/dbraw/zinc/21/13/29/823211329.db2.gz PGPFVIFFPBUITK-MRXNPFEDSA-N 1 0 394.943 4.348 20 0 GIADRO C[C@]1(C2CC2)NC(=O)N(c2cccc(C[NH2+]Cc3ccc(C4CC4)cc3)c2)C1=O ZINC000459529881 823212781 /nfs/dbraw/zinc/21/27/81/823212781.db2.gz SWVKGQVPMYNZPA-XMMPIXPASA-N 1 0 389.499 4.079 20 0 GIADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(Cc1ccco1)Cc1cccs1 ZINC000056785892 823213147 /nfs/dbraw/zinc/21/31/47/823213147.db2.gz GIYOGADEZWAFPF-IAGOWNOFSA-N 1 0 375.538 4.173 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1ccc(-c2csnn2)cc1 ZINC000056787100 823213365 /nfs/dbraw/zinc/21/33/65/823213365.db2.gz TUSUROOPUSMUCZ-UHFFFAOYSA-N 1 0 395.532 4.369 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2ccc(-c3csnn3)cc2)C1 ZINC000056789035 823213876 /nfs/dbraw/zinc/21/38/76/823213876.db2.gz HWUNZHNTNVPDKG-BEFAXECRSA-N 1 0 393.516 4.162 20 0 GIADRO FC(F)(F)c1cnn(-c2cccc(NC3CCN(c4cc[nH+]cc4)CC3)c2)c1 ZINC000459535011 823214130 /nfs/dbraw/zinc/21/41/30/823214130.db2.gz PHFHFKRUEFOMIS-UHFFFAOYSA-N 1 0 387.409 4.367 20 0 GIADRO Cn1nccc1[C@H]1OCC[C@@H]1[NH2+]C/C=C/c1ccc(OCc2ccccc2)cc1 ZINC000459536616 823214442 /nfs/dbraw/zinc/21/44/42/823214442.db2.gz QJFAJFADDFABQE-LGGHGOHRSA-N 1 0 389.499 4.132 20 0 GIADRO CCOc1cc(C[NH+]2CCC([C@H]3CCCO3)CC2)ccc1OCC(F)(F)F ZINC000188291026 823214979 /nfs/dbraw/zinc/21/49/79/823214979.db2.gz UAFGLEXYGWRMQW-QGZVFWFLSA-N 1 0 387.442 4.417 20 0 GIADRO Cc1noc([C@@H]2CC[N@H+](C/C=C\c3ccc(OCc4ccccc4)cc3)C2)n1 ZINC000459538186 823215003 /nfs/dbraw/zinc/21/50/03/823215003.db2.gz SKTXJDCQIYZELB-HUCIYCNJSA-N 1 0 375.472 4.460 20 0 GIADRO CCO[C@@H]1C[C@H]([N@H+](C)[C@H]2CCO[C@@H]2c2cccnc2)[C@H]1Sc1ccccc1 ZINC000459537656 823215072 /nfs/dbraw/zinc/21/50/72/823215072.db2.gz SBOKJJBYOAORLL-VNXMGFANSA-N 1 0 384.545 4.182 20 0 GIADRO O=C(N[C@@H]1CCCOc2c(Cl)cccc21)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000571657634 823215181 /nfs/dbraw/zinc/21/51/81/823215181.db2.gz GSABHRNFTKUKSX-ATZDWAIDSA-N 1 0 391.943 4.117 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCSc3ccc(Cl)cc32)[C@@H]1n1cccn1 ZINC000571662065 823215789 /nfs/dbraw/zinc/21/57/89/823215789.db2.gz DLFIFFAUFUJAJW-NTDBWNAOSA-N 1 0 377.941 4.472 20 0 GIADRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)Nc1ccc(-c2nncs2)cc1 ZINC000459546870 823217312 /nfs/dbraw/zinc/21/73/12/823217312.db2.gz UIGFRLPEGORVIB-LJQANCHMSA-N 1 0 393.516 4.164 20 0 GIADRO Cc1cc(C)n(-c2ccc(C[N@@H+]3CC[C@](CO)(Cc4ccc(F)cc4)C3)cc2)n1 ZINC000571682986 823218465 /nfs/dbraw/zinc/21/84/65/823218465.db2.gz RXLRSWBMZLDDBC-DEOSSOPVSA-N 1 0 393.506 4.055 20 0 GIADRO CCOc1cc(C[NH2+]C[C@@H]2CCN(c3ccccc3F)C2)cc(Cl)c1O ZINC000459555352 823219670 /nfs/dbraw/zinc/21/96/70/823219670.db2.gz HKNARVVQFLILJA-AWEZNQCLSA-N 1 0 378.875 4.200 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1C[N@@H+](C)C1CCN(CC(F)(F)F)CC1 ZINC000459559382 823220072 /nfs/dbraw/zinc/22/00/72/823220072.db2.gz HWPGKVDSVJHCLI-UHFFFAOYSA-N 1 0 386.487 4.040 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)Nc1ccc(OC(F)F)cc1F ZINC000459560684 823220490 /nfs/dbraw/zinc/22/04/90/823220490.db2.gz NCWQKVYWVLFJCD-UHFFFAOYSA-N 1 0 387.427 4.084 20 0 GIADRO CCOc1cc(C[NH+]2CCC(CCCn3ccnc3)CC2)cc(Cl)c1O ZINC000459561480 823220506 /nfs/dbraw/zinc/22/05/06/823220506.db2.gz PGIQCIWEFRXYBB-UHFFFAOYSA-N 1 0 377.916 4.333 20 0 GIADRO Brc1cc2c(cc1C[NH2+]CCc1nc3ccccc3s1)OCO2 ZINC000409447425 823221210 /nfs/dbraw/zinc/22/12/10/823221210.db2.gz OEGSJHBZDKPTLS-UHFFFAOYSA-N 1 0 391.290 4.120 20 0 GIADRO Cc1ccc(NC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)c(C)n1 ZINC000121645510 823221633 /nfs/dbraw/zinc/22/16/33/823221633.db2.gz WLNIURLIPOHLFQ-LJQANCHMSA-N 1 0 377.410 4.092 20 0 GIADRO C[NH+](C)CCN(Cc1cccs1)C(=O)Nc1cc(F)ccc1OC(F)F ZINC000121646591 823221908 /nfs/dbraw/zinc/22/19/08/823221908.db2.gz PKGIVEYWAYWRNJ-UHFFFAOYSA-N 1 0 387.427 4.084 20 0 GIADRO C[C@@H](C[N@H+](CC(=O)Nc1cccc(Cl)c1Cl)[C@@H](C)CO)c1ccccc1 ZINC000571710700 823222698 /nfs/dbraw/zinc/22/26/98/823222698.db2.gz DIPVMJMUPPQOMQ-GJZGRUSLSA-N 1 0 395.330 4.418 20 0 GIADRO COc1ccc(C[NH2+]C2(c3cccc(Br)c3)CCOCC2)c(F)c1 ZINC000571688366 823219129 /nfs/dbraw/zinc/21/91/29/823219129.db2.gz KJKXJUSOHKNROH-UHFFFAOYSA-N 1 0 394.284 4.392 20 0 GIADRO COc1cccc(OC)c1OCCCC[N@@H+]1CCO[C@H](c2ccccc2C)C1 ZINC000571718430 823224040 /nfs/dbraw/zinc/22/40/40/823224040.db2.gz HBJNGZVOAIFUCH-QFIPXVFZSA-N 1 0 385.504 4.245 20 0 GIADRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccccc1C(C)(C)C ZINC000188350237 823224267 /nfs/dbraw/zinc/22/42/67/823224267.db2.gz HTUFWLRFCGKFOP-DEOSSOPVSA-N 1 0 395.547 4.085 20 0 GIADRO O=C(N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)C1(C(F)F)CCCC1 ZINC000571718984 823224215 /nfs/dbraw/zinc/22/42/15/823224215.db2.gz NDRIELYHVNDOEJ-RTBURBONSA-N 1 0 376.491 4.325 20 0 GIADRO CCOc1cc(C[NH2+]C[C@H]2CCO[C@@H](C(C)C)C2)cc(Br)c1O ZINC000459580310 823224641 /nfs/dbraw/zinc/22/46/41/823224641.db2.gz PBCLRHSPQXOFNN-XJKSGUPXSA-N 1 0 386.330 4.094 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)C2CCC(NC(=O)C3CCCC3)CC2)cc1 ZINC000188356255 823224843 /nfs/dbraw/zinc/22/48/43/823224843.db2.gz GPXLMZWGXZKGBF-UHFFFAOYSA-N 1 0 399.579 4.332 20 0 GIADRO Fc1ccc([C@H](Nc2cccc(C[NH+]3CCSCC3)c2)c2ncc[nH]2)cc1 ZINC000188357396 823225017 /nfs/dbraw/zinc/22/50/17/823225017.db2.gz FIUQNJOZPRRVHK-FQEVSTJZSA-N 1 0 382.508 4.299 20 0 GIADRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000409462139 823225063 /nfs/dbraw/zinc/22/50/63/823225063.db2.gz CLIAHPAGCCBDPJ-COCVIAQXSA-N 1 0 396.934 4.041 20 0 GIADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000409462142 823225103 /nfs/dbraw/zinc/22/51/03/823225103.db2.gz CLIAHPAGCCBDPJ-YVTWGWGSSA-N 1 0 396.934 4.041 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(OCC2CC2)c(F)c1)c1ccc(-n2cnnn2)cc1 ZINC000121667634 823226158 /nfs/dbraw/zinc/22/61/58/823226158.db2.gz VSGLZCZBKXJVPZ-CABCVRRESA-N 1 0 381.455 4.002 20 0 GIADRO C[C@H]([NH2+]CCCOc1ccc(F)cc1)c1ccc(OCc2nccn2C)cc1 ZINC000121675051 823228252 /nfs/dbraw/zinc/22/82/52/823228252.db2.gz JRVOEXFXKIDDFL-KRWDZBQOSA-N 1 0 383.467 4.258 20 0 GIADRO CC(C)C[N@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)Cc1cnn(C)c1 ZINC000459594651 823226743 /nfs/dbraw/zinc/22/67/43/823226743.db2.gz KVUUNOIDPVNGFF-UHFFFAOYSA-N 1 0 383.323 4.214 20 0 GIADRO CC1CC[NH+](Cc2ccc(NC(=O)CCCNC(=O)[C@H]3CC=CCC3)cc2)CC1 ZINC000409467318 823227043 /nfs/dbraw/zinc/22/70/43/823227043.db2.gz ZDKLNKLLRZYHTK-NRFANRHFSA-N 1 0 397.563 4.110 20 0 GIADRO CCOc1cc(C[NH2+]C2(Cc3cccc(F)c3)CCOCC2)cc(Cl)c1O ZINC000459597859 823227236 /nfs/dbraw/zinc/22/72/36/823227236.db2.gz VZVUVVWFZJSCKB-UHFFFAOYSA-N 1 0 393.886 4.465 20 0 GIADRO COc1ccc(-c2csc(CNC(=O)N3CCC([NH2+]C(C)C)CC3)c2)cc1 ZINC000176517873 823227393 /nfs/dbraw/zinc/22/73/93/823227393.db2.gz BHHPDFSFAVRDNT-UHFFFAOYSA-N 1 0 387.549 4.096 20 0 GIADRO C[NH+]1CCN(Cc2cccc(NC(=O)c3sccc3-c3ccccc3)c2)CC1 ZINC000409470129 823227829 /nfs/dbraw/zinc/22/78/29/823227829.db2.gz OLPWVFBEMLSTHO-UHFFFAOYSA-N 1 0 391.540 4.415 20 0 GIADRO O=C(Nc1cccc(C[NH2+]Cc2ccc(-c3ccccc3)o2)c1)[C@@H]1CCCO1 ZINC000121678720 823229176 /nfs/dbraw/zinc/22/91/76/823229176.db2.gz IFAIFUBQCJIQIS-QFIPXVFZSA-N 1 0 376.456 4.354 20 0 GIADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccn1-c1c(Cl)cccc1Cl ZINC000409478596 823230200 /nfs/dbraw/zinc/23/02/00/823230200.db2.gz GDBRHGMXMZXZHB-ZIAGYGMSSA-N 1 0 378.303 4.141 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)N[C@H]1CCSc2ccc(F)cc21)c1ccc(F)cc1 ZINC000056937467 823232901 /nfs/dbraw/zinc/23/29/01/823232901.db2.gz LDOBDHBKDDMVET-ZWKOTPCHSA-N 1 0 391.487 4.104 20 0 GIADRO O[C@@H](C[NH2+][C@@H]1COCc2ccccc21)COC(c1ccccc1)c1ccccc1 ZINC000571755537 823230728 /nfs/dbraw/zinc/23/07/28/823230728.db2.gz GRZCUJPDQDEGPD-LADGPHEKSA-N 1 0 389.495 4.015 20 0 GIADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)/C=C(/c2ccc(Cl)cc2)C(F)(F)F)C1 ZINC000121693298 823231551 /nfs/dbraw/zinc/23/15/51/823231551.db2.gz MGNWNXWAEIXWPK-FMNVXAMXSA-N 1 0 388.861 4.476 20 0 GIADRO Cc1ccc(-c2ccncc2)cc1NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000571764166 823231808 /nfs/dbraw/zinc/23/18/08/823231808.db2.gz LTRYRKPXJDKFGA-FQEVSTJZSA-N 1 0 381.545 4.213 20 0 GIADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)C(C)(C)c1ccccc1Br ZINC000409486198 823232202 /nfs/dbraw/zinc/23/22/02/823232202.db2.gz MKUVFZNJAIXSEM-OAHLLOKOSA-N 1 0 383.374 4.353 20 0 GIADRO Cc1cnc([C@H](C)NC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)s1 ZINC000176542465 823233243 /nfs/dbraw/zinc/23/32/43/823233243.db2.gz GGQDVMBQCFQBFI-KRWDZBQOSA-N 1 0 386.565 4.066 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)c1 ZINC000121701415 823233595 /nfs/dbraw/zinc/23/35/95/823233595.db2.gz FHUIJSAAEHPHSK-ZYDMAUNPSA-N 1 0 377.488 4.128 20 0 GIADRO Cc1ccc(-c2nc(CC(=O)NCC3CC[NH+](CCC(C)C)CC3)cs2)o1 ZINC000176546805 823234043 /nfs/dbraw/zinc/23/40/43/823234043.db2.gz VABPSDRHAXCKOQ-UHFFFAOYSA-N 1 0 389.565 4.128 20 0 GIADRO C[C@H](CCCc1cccnc1)[NH2+][C@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000459634287 823234236 /nfs/dbraw/zinc/23/42/36/823234236.db2.gz FKLYHHVPTSCLBN-HUUCEWRRSA-N 1 0 379.426 4.428 20 0 GIADRO COc1cc(C[NH2+][C@H]2C[C@@H](OC(C)C)C2)cc(Br)c1OC(F)F ZINC000459634579 823234242 /nfs/dbraw/zinc/23/42/42/823234242.db2.gz OJLIQDKMXUFSQE-TXEJJXNPSA-N 1 0 394.256 4.105 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(C)(C)Cc2nc3ccccc3[nH]2)C1 ZINC000409498149 823234651 /nfs/dbraw/zinc/23/46/51/823234651.db2.gz DJPDJYCQZVVDQX-CALCHBBNSA-N 1 0 384.568 4.004 20 0 GIADRO CC(C)CN(CC[NH+](C)C)C(=O)Nc1cccc(Cn2ccnc2C(C)C)c1 ZINC000176552842 823235375 /nfs/dbraw/zinc/23/53/75/823235375.db2.gz IKFBSBBNRAWRDA-UHFFFAOYSA-N 1 0 385.556 4.106 20 0 GIADRO O=C(NCc1ccccc1N1CCCC1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000056953863 823235385 /nfs/dbraw/zinc/23/53/85/823235385.db2.gz LPXDEUANBDRACX-UHFFFAOYSA-N 1 0 398.595 4.084 20 0 GIADRO Cn1nccc1-c1ccccc1C[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459646458 823237599 /nfs/dbraw/zinc/23/75/99/823237599.db2.gz IHFZWMMNSFDJIS-LJQANCHMSA-N 1 0 393.453 4.268 20 0 GIADRO CCOc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@@H](C)CCCc2cccnc2)cc1 ZINC000459644239 823236671 /nfs/dbraw/zinc/23/66/71/823236671.db2.gz WUOZGDJIPLJFCH-WMZHIEFXSA-N 1 0 395.547 4.145 20 0 GIADRO COCCOCc1ccc(C[NH2+][C@H]2CCc3sc(Br)cc32)cc1 ZINC000571813774 823238420 /nfs/dbraw/zinc/23/84/20/823238420.db2.gz RQCIXFNOJKJRBX-INIZCTEOSA-N 1 0 396.350 4.451 20 0 GIADRO C[C@H](Sc1ccnc2cc(Cl)ccc21)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000176587092 823242436 /nfs/dbraw/zinc/24/24/36/823242436.db2.gz YOCJRWPZLUQGJS-LSDHHAIUSA-N 1 0 391.968 4.169 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)Nc2cc(F)c(Br)cc2F)c1 ZINC000121732447 823239047 /nfs/dbraw/zinc/23/90/47/823239047.db2.gz YWAGIHYJSNXKTH-UHFFFAOYSA-N 1 0 398.251 4.111 20 0 GIADRO CCN1C(=O)c2cc(Cl)ccc2NC12CC[NH+](CCc1ccccc1)CC2 ZINC000409516696 823239182 /nfs/dbraw/zinc/23/91/82/823239182.db2.gz XJXLMUVEUGWIHS-UHFFFAOYSA-N 1 0 383.923 4.262 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H](C)CCCc1cccnc1 ZINC000459652043 823239658 /nfs/dbraw/zinc/23/96/58/823239658.db2.gz PXLYBMJGVJNXEZ-HOTGVXAUSA-N 1 0 389.927 4.462 20 0 GIADRO FC(F)(F)[C@@H]1CC[N@H+](Cc2ccnn2-c2ccccc2)CC12CCOCC2 ZINC000459653645 823240471 /nfs/dbraw/zinc/24/04/71/823240471.db2.gz SFTGVWLKKCUMNJ-GOSISDBHSA-N 1 0 379.426 4.053 20 0 GIADRO Cc1ccc(CN(Cc2ccco2)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)s1 ZINC000176582106 823241509 /nfs/dbraw/zinc/24/15/09/823241509.db2.gz XGKZVMBOLHITSA-IRXDYDNUSA-N 1 0 375.538 4.234 20 0 GIADRO COc1ccc(C[N@@H+]2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)cc1 ZINC000121747927 823242268 /nfs/dbraw/zinc/24/22/68/823242268.db2.gz NOAIHYAACARRLK-OAHLLOKOSA-N 1 0 390.409 4.136 20 0 GIADRO C[C@@H](CNC(=O)N1CCC[C@@H]1c1nc2ccccc2s1)C[NH+]1CCCCC1 ZINC000057040484 823242274 /nfs/dbraw/zinc/24/22/74/823242274.db2.gz GWZOLSSXZKGVIO-FUHWJXTLSA-N 1 0 386.565 4.265 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)c2sc(Cc3ccc(F)cc3)nc2C)CC1 ZINC000056985839 823237906 /nfs/dbraw/zinc/23/79/06/823237906.db2.gz XZYINPHQWZVPEF-UHFFFAOYSA-N 1 0 389.540 4.128 20 0 GIADRO O=C(Nc1cc(C(F)(F)F)ccc1Cl)NC1CC[NH+](CC2CC2)CC1 ZINC000409531631 823242952 /nfs/dbraw/zinc/24/29/52/823242952.db2.gz SUCAWBHWCALOCV-UHFFFAOYSA-N 1 0 375.822 4.355 20 0 GIADRO C[NH+]1CCN(Cc2cccc(NC(=O)CCCC[C@H]3CCSS3)c2)CC1 ZINC000057054099 823243938 /nfs/dbraw/zinc/24/39/38/823243938.db2.gz DQDUBORPBMDCAS-IBGZPJMESA-N 1 0 393.622 4.087 20 0 GIADRO C[C@@H](NC(=O)N1CC[NH+](C2CCCC2)CC1)c1ccc(-c2cccnc2)cc1 ZINC000176599518 823245255 /nfs/dbraw/zinc/24/52/55/823245255.db2.gz MMUZSZMNJUSGFV-GOSISDBHSA-N 1 0 378.520 4.079 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1(Cc2ccccc2F)CC1 ZINC000188469640 823245671 /nfs/dbraw/zinc/24/56/71/823245671.db2.gz RQPZOZDXMGDIBD-FQEVSTJZSA-N 1 0 380.507 4.129 20 0 GIADRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)N1CCC(C(F)(F)F)CC1 ZINC000121766279 823246351 /nfs/dbraw/zinc/24/63/51/823246351.db2.gz CHDVPFYVGFXCNL-HOTGVXAUSA-N 1 0 397.485 4.127 20 0 GIADRO Cc1ccc(-c2nc(Cc3nc(CC45CCC[NH+]4CCC5)no3)cs2)cc1 ZINC000571867720 823247763 /nfs/dbraw/zinc/24/77/63/823247763.db2.gz ULIVCDPSWTUCBK-UHFFFAOYSA-N 1 0 380.517 4.263 20 0 GIADRO Cc1ccc(C[NH2+][C@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)nc1C ZINC000459670368 823246966 /nfs/dbraw/zinc/24/69/66/823246966.db2.gz OPOUWZFVAIILIC-CYBMUJFWSA-N 1 0 381.398 4.104 20 0 GIADRO C[C@H](Oc1ccc(C(=O)N2CCC(OCC[NH+](C)C)CC2)cc1)c1ccccc1 ZINC000409551155 823247808 /nfs/dbraw/zinc/24/78/08/823247808.db2.gz STEAVZOBPVATPK-IBGZPJMESA-N 1 0 396.531 4.009 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)NC2CC(F)(c3cccc(Cl)c3)C2)CC1 ZINC000571858874 823247087 /nfs/dbraw/zinc/24/70/87/823247087.db2.gz QSTDHIFMZAQMJG-UHFFFAOYSA-N 1 0 395.950 4.429 20 0 GIADRO CC(C)(C)OC(=O)N1CCc2cccc(C[NH2+]C[C@@H](CCO)c3ccccc3)c21 ZINC000176607115 823247212 /nfs/dbraw/zinc/24/72/12/823247212.db2.gz CXAHTUCNVQLCLV-HXUWFJFHSA-N 1 0 396.531 4.240 20 0 GIADRO COc1cc2nc(C[N@H+](C)[C@H]3CCC[C@H]3c3ccccc3)[nH]c(=O)c2cc1OC ZINC000459671488 823247214 /nfs/dbraw/zinc/24/72/14/823247214.db2.gz GTBQDSPTXNPRAB-LPHOPBHVSA-N 1 0 393.487 4.121 20 0 GIADRO COc1cc(NC(=O)NCCCCC[NH+]2CCCCC2)cc(OC)c1Cl ZINC000459676505 823248346 /nfs/dbraw/zinc/24/83/46/823248346.db2.gz LMOWSYVBYWWPKB-UHFFFAOYSA-N 1 0 383.920 4.135 20 0 GIADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NCC[C@@H]2CCc3ccccc32)CC1 ZINC000571873393 823248412 /nfs/dbraw/zinc/24/84/12/823248412.db2.gz WVEZUCKBBUYFDI-RXVVDRJESA-N 1 0 392.547 4.026 20 0 GIADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@H](CC(F)(F)F)c2ccccc2)o1 ZINC000057129519 823252424 /nfs/dbraw/zinc/25/24/24/823252424.db2.gz WWQGGCBZAPLTSV-GOSISDBHSA-N 1 0 397.441 4.355 20 0 GIADRO CCCOc1c(Br)cc(C[NH2+]C2CCC(OC)CC2)cc1OC ZINC000459679548 823249264 /nfs/dbraw/zinc/24/92/64/823249264.db2.gz ONQQPXAMIABMDN-UHFFFAOYSA-N 1 0 386.330 4.294 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCC1CCN(c2nnc(-c3ccc[nH]3)n2C2CC2)CC1 ZINC000571889213 823250104 /nfs/dbraw/zinc/25/01/04/823250104.db2.gz HQXLNLHELKKHDM-KRWDZBQOSA-N 1 0 382.556 4.089 20 0 GIADRO CCc1nc(C)c([C@H](C)N(C)C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)s1 ZINC000176617809 823250198 /nfs/dbraw/zinc/25/01/98/823250198.db2.gz XOFWHBUAXGKDIE-RDJZCZTQSA-N 1 0 388.581 4.237 20 0 GIADRO CC[N@@H+]1CCC[C@H]1CN(Cc1c(C)nn(C(C)(C)C)c1C)Cc1ccncc1 ZINC000571889831 823250363 /nfs/dbraw/zinc/25/03/63/823250363.db2.gz GCAIPBYVJVSHKJ-NRFANRHFSA-N 1 0 383.584 4.136 20 0 GIADRO FC(F)(F)Oc1ccccc1C[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000121785083 823250919 /nfs/dbraw/zinc/25/09/19/823250919.db2.gz SGXJXOYWRZACIE-HNNXBMFYSA-N 1 0 376.382 4.008 20 0 GIADRO CC[NH+](CC)CCOc1ccc(NC(=O)NCC[C@@H]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000571898001 823250950 /nfs/dbraw/zinc/25/09/50/823250950.db2.gz DOHJBFHRQXRRKK-REPLKXPHSA-N 1 0 391.556 4.122 20 0 GIADRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)Nc1ccc(OC)c(SC)c1)c1ccco1 ZINC000459690400 823251174 /nfs/dbraw/zinc/25/11/74/823251174.db2.gz XXSPBOHRSRMOES-HIFRSBDPSA-N 1 0 377.510 4.261 20 0 GIADRO C[N@@H+]1CCCC[C@H]1CCC(=O)Nc1c(O)cc(Br)cc1Cl ZINC000571900818 823251291 /nfs/dbraw/zinc/25/12/91/823251291.db2.gz XBIVEJVGESVKPD-NSHDSACASA-N 1 0 375.694 4.011 20 0 GIADRO CCCCOc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000571903443 823251797 /nfs/dbraw/zinc/25/17/97/823251797.db2.gz VZVMJZHLDVWHMC-MRXNPFEDSA-N 1 0 379.497 4.129 20 0 GIADRO CCOC[C@H]1CCCCN1Cc1nnc(-c2c(C)onc2-c2ccccc2)o1 ZINC000459693976 823252228 /nfs/dbraw/zinc/25/22/28/823252228.db2.gz IGJWULJKZNIPMQ-QGZVFWFLSA-N 1 0 382.464 4.091 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1cccc(Oc2ccccc2)c1 ZINC000057166466 823257692 /nfs/dbraw/zinc/25/76/92/823257692.db2.gz PLKVEIONRGZDBO-UHFFFAOYSA-N 1 0 387.483 4.268 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)N[C@@H](CC(F)(F)F)c1ccccc1)Cc1ccccc1 ZINC000057131456 823253505 /nfs/dbraw/zinc/25/35/05/823253505.db2.gz SADSJIIUBRBTTL-MOPGFXCFSA-N 1 0 393.453 4.152 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N[C@H](CC(F)(F)F)c1ccccc1 ZINC000057131385 823253559 /nfs/dbraw/zinc/25/35/59/823253559.db2.gz KEGMTBANCRLIQT-SJORKVTESA-N 1 0 395.425 4.409 20 0 GIADRO CCCn1c(C(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc2ccccc21 ZINC000188511880 823253881 /nfs/dbraw/zinc/25/38/81/823253881.db2.gz MMMDOZHVSMMFHP-SFHVURJKSA-N 1 0 390.531 4.402 20 0 GIADRO C#CC[NH+]1CCC(C(=O)N[C@@H](c2cccs2)c2ccc(C(C)C)cc2)CC1 ZINC000057138085 823253934 /nfs/dbraw/zinc/25/39/34/823253934.db2.gz DSQXEQOJJUXGID-JOCHJYFZSA-N 1 0 380.557 4.422 20 0 GIADRO C[C@H]([NH2+]CC1CCN(CC(F)(F)F)CC1)c1ccc(Br)s1 ZINC000188510915 823253931 /nfs/dbraw/zinc/25/39/31/823253931.db2.gz JHRNUYKVJFQJRK-JTQLQIEISA-N 1 0 385.293 4.436 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1ccc(-c2ccc(F)cc2)s1 ZINC000057166420 823257765 /nfs/dbraw/zinc/25/77/65/823257765.db2.gz BQVOURHLGQZTBY-UHFFFAOYSA-N 1 0 395.503 4.344 20 0 GIADRO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC1CCN(CC(F)(F)F)CC1)CC3 ZINC000188516216 823254838 /nfs/dbraw/zinc/25/48/38/823254838.db2.gz XIUJIVDAVZBIHF-MRXNPFEDSA-N 1 0 379.470 4.198 20 0 GIADRO C[C@H](CCC(F)(F)F)[NH2+]C[C@@H](CO)Cc1cc(F)cc(Br)c1 ZINC000459709933 823255139 /nfs/dbraw/zinc/25/51/39/823255139.db2.gz UFVYCMYCDSPPFK-PWSUYJOCSA-N 1 0 386.227 4.060 20 0 GIADRO O=C(Nc1nc(-c2ccccn2)cs1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000057152390 823255690 /nfs/dbraw/zinc/25/56/90/823255690.db2.gz PBCLJPMEYPVZIJ-UHFFFAOYSA-N 1 0 378.501 4.056 20 0 GIADRO O=C(c1ccccc1)C1CCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000057153363 823255708 /nfs/dbraw/zinc/25/57/08/823255708.db2.gz PDVQMFHSFPYFIO-UHFFFAOYSA-N 1 0 390.527 4.020 20 0 GIADRO O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CCC(c2ccc(O)cc2)CC1 ZINC000057153483 823255736 /nfs/dbraw/zinc/25/57/36/823255736.db2.gz RXAJZFYNLIBSGI-UHFFFAOYSA-N 1 0 378.516 4.010 20 0 GIADRO COc1ccc(CCCCC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)cc1 ZINC000057152483 823255878 /nfs/dbraw/zinc/25/58/78/823255878.db2.gz GMPVLDVVMBWPDD-UHFFFAOYSA-N 1 0 395.547 4.107 20 0 GIADRO CO[C@@](C)([C@H](C)[NH2+]Cc1ncc(-c2ccccc2Br)o1)C1CC1 ZINC000411941542 823615343 /nfs/dbraw/zinc/61/53/43/823615343.db2.gz HGKAWQSFXSYZCZ-SGTLLEGYSA-N 1 0 379.298 4.397 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)[C@@H]2C[C@H]2c2c(F)cccc2Cl)cc1F ZINC000121811674 823256016 /nfs/dbraw/zinc/25/60/16/823256016.db2.gz XMTQYDADVPVKME-HUUCEWRRSA-N 1 0 378.850 4.100 20 0 GIADRO C[C@@H](c1ccc(F)cc1)N1CC[C@H]([NH+]2CCC(c3ccc(O)cc3)CC2)C1=O ZINC000571942652 823258017 /nfs/dbraw/zinc/25/80/17/823258017.db2.gz JGRWFIFZRUAKNB-AOMKIAJQSA-N 1 0 382.479 4.073 20 0 GIADRO c1c(C[N@@H+]2CC3(CCC3)[C@@H]3COC[C@H]32)c(-c2ccccn2)nn1C1CCCC1 ZINC000459721563 823256555 /nfs/dbraw/zinc/25/65/55/823256555.db2.gz ORDMAZUZQJKRGA-TZIWHRDSSA-N 1 0 378.520 4.061 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cnc(-c3ncccn3)s2)cc1 ZINC000121814979 823256641 /nfs/dbraw/zinc/25/66/41/823256641.db2.gz UMWVKTONGZBDEB-HNNXBMFYSA-N 1 0 393.516 4.227 20 0 GIADRO O=C(NCc1ccc(Br)s1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000057155694 823256713 /nfs/dbraw/zinc/25/67/13/823256713.db2.gz LQGQMUVFBHIEMQ-UHFFFAOYSA-N 1 0 393.350 4.039 20 0 GIADRO Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000057167758 823258119 /nfs/dbraw/zinc/25/81/19/823258119.db2.gz VIXKLDZCNNWEQL-IBGZPJMESA-N 1 0 395.547 4.062 20 0 GIADRO Cc1cccc2nc(C3CCN(C(=O)[C@H]4CC[N@@H+](C5CCCCC5)C4)CC3)oc21 ZINC000188530740 823258116 /nfs/dbraw/zinc/25/81/16/823258116.db2.gz GWLZZIVUFZWEAM-IBGZPJMESA-N 1 0 395.547 4.497 20 0 GIADRO CCN1CCC([NH+]2CCC(C(=O)Nc3ccc(-c4ccco4)cc3F)CC2)CC1 ZINC000571939972 823257503 /nfs/dbraw/zinc/25/75/03/823257503.db2.gz SFOMVLWUJXIGEQ-UHFFFAOYSA-N 1 0 399.510 4.221 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000057167352 823257598 /nfs/dbraw/zinc/25/75/98/823257598.db2.gz GFSVQYNUIYRBQM-UHFFFAOYSA-N 1 0 383.495 4.047 20 0 GIADRO O=C(N[C@H](CC(F)(F)F)c1ccccc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000057130500 823252879 /nfs/dbraw/zinc/25/28/79/823252879.db2.gz OLYACLCSPPNUJV-GOSISDBHSA-N 1 0 383.458 4.198 20 0 GIADRO O=C(Nc1cccc(OCC(F)(F)F)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000057169846 823258301 /nfs/dbraw/zinc/25/83/01/823258301.db2.gz YSKDPINLHNYJAE-UHFFFAOYSA-N 1 0 392.421 4.478 20 0 GIADRO CO[C@](C)([C@H](C)[NH2+]Cc1ccnc(-c2ccc(Br)cc2)n1)C1CC1 ZINC000411970602 823617226 /nfs/dbraw/zinc/61/72/26/823617226.db2.gz NJSIFGDFMCIYEA-ORAYPTAESA-N 1 0 390.325 4.199 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C[C@H](c1ncc[nH]1)c1ccccc1 ZINC000571947347 823258502 /nfs/dbraw/zinc/25/85/02/823258502.db2.gz LELZIOQVGMXCGJ-QFIPXVFZSA-N 1 0 390.531 4.088 20 0 GIADRO CCC(=O)Nc1ccc(C)c(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000057172095 823258631 /nfs/dbraw/zinc/25/86/31/823258631.db2.gz OHIYVGZSKWGTMK-UHFFFAOYSA-N 1 0 379.504 4.194 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)Cc1ccccc1OCc1ccccn1 ZINC000459738427 823258802 /nfs/dbraw/zinc/25/88/02/823258802.db2.gz IHZNZXUDRJDVKH-UHFFFAOYSA-N 1 0 381.545 4.286 20 0 GIADRO Fc1ccc2c(c1)onc2C1CC[NH+](CCCOc2ccc3c(c2)OCO3)CC1 ZINC000001550519 817376990 /nfs/dbraw/zinc/37/69/90/817376990.db2.gz VSPJTAYSALPZKJ-UHFFFAOYSA-N 1 0 398.434 4.344 20 0 GIADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(Cc2ccccc2)Cc2ccccc2)C1 ZINC000409603995 823259360 /nfs/dbraw/zinc/25/93/60/823259360.db2.gz LWJYNNGWAUXMPU-HSZRJFAPSA-N 1 0 378.560 4.325 20 0 GIADRO CCc1nnc([C@H](C)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)o1 ZINC000459746950 823259478 /nfs/dbraw/zinc/25/94/78/823259478.db2.gz GJQKOPYDIPYCJC-ORYQWCPZSA-N 1 0 394.494 4.090 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)NC[C@H]1CCCC(F)(F)C1 ZINC000409603705 823259463 /nfs/dbraw/zinc/25/94/63/823259463.db2.gz YHHLLRQTNONRNO-KRWDZBQOSA-N 1 0 397.510 4.032 20 0 GIADRO COc1ccc(NC(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc1SC ZINC000459746491 823259535 /nfs/dbraw/zinc/25/95/35/823259535.db2.gz CAVFCFYMRABUPM-MAUKXSAKSA-N 1 0 385.533 4.202 20 0 GIADRO O[C@@H](C[C@H]1CCCCC[N@@H+]1CCc1nc(-c2ccccc2)no1)c1ccco1 ZINC000121835595 823260001 /nfs/dbraw/zinc/26/00/01/823260001.db2.gz DHGKUJKSNHTKER-MOPGFXCFSA-N 1 0 381.476 4.240 20 0 GIADRO COc1ccc(C[NH2+][C@@H]2CCO[C@H]2c2cncc(Br)c2)cc1Cl ZINC000459754003 823260688 /nfs/dbraw/zinc/26/06/88/823260688.db2.gz DMKXFJFZHCBLEF-WBVHZDCISA-N 1 0 397.700 4.126 20 0 GIADRO Fc1cccc([C@@H]2CN(Cc3ccccc3)C[C@H]2[NH2+][C@@H]2CCOC3(CCC3)C2)c1 ZINC000459755336 823260871 /nfs/dbraw/zinc/26/08/71/823260871.db2.gz QGXYIOJUSNQTTD-TZRRMPRUSA-N 1 0 394.534 4.485 20 0 GIADRO C[C@@H]1C[C@@H](CCNC(=O)NC[C@H]2CCCC(F)(F)C2)C[N@@H+]1Cc1ccccc1 ZINC000409613062 823261772 /nfs/dbraw/zinc/26/17/72/823261772.db2.gz UTFHEVIULOQVRD-RLLQIKCJSA-N 1 0 393.522 4.412 20 0 GIADRO COc1ccc(NC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1SC ZINC000459767075 823262146 /nfs/dbraw/zinc/26/21/46/823262146.db2.gz MNDHVYRGCXAQPQ-SFHVURJKSA-N 1 0 385.533 4.155 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1cccc(-c2noc(C3CC3)n2)c1)c1cccs1 ZINC000176666607 823262169 /nfs/dbraw/zinc/26/21/69/823262169.db2.gz RLUZXOFKAICSEI-MRXNPFEDSA-N 1 0 397.504 4.100 20 0 GIADRO C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000459768131 823262579 /nfs/dbraw/zinc/26/25/79/823262579.db2.gz QJNYUIAZURTVMC-HONMWMINSA-N 1 0 381.236 4.385 20 0 GIADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000459771323 823262916 /nfs/dbraw/zinc/26/29/16/823262916.db2.gz RPAJLZJYYKORHW-MDASCCDHSA-N 1 0 391.353 4.140 20 0 GIADRO C[C@H]1C[C@@H]1c1ccc(C[NH2+][C@@H]2CCO[C@H]2c2cncc(Br)c2)o1 ZINC000459771849 823262924 /nfs/dbraw/zinc/26/29/24/823262924.db2.gz SZYQHXVGNYTXAV-QXHJTNOSSA-N 1 0 377.282 4.180 20 0 GIADRO CO[C@H]1C[C@H]([NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C12CCC2 ZINC000459778495 823263703 /nfs/dbraw/zinc/26/37/03/823263703.db2.gz KZIASHJMPNYDSP-VXKWHMMOSA-N 1 0 388.515 4.041 20 0 GIADRO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]C[C@@H](O)COc1cccc2ccccc21 ZINC000121877536 823268753 /nfs/dbraw/zinc/26/87/53/823268753.db2.gz BZXZXMYMBDAIAI-QFBILLFUSA-N 1 0 381.520 4.190 20 0 GIADRO CC[NH+]1CCC(CNC(=O)N[C@H](C)c2cccc(OCc3ccccc3)c2)CC1 ZINC000571979238 823264773 /nfs/dbraw/zinc/26/47/73/823264773.db2.gz BYDOXEXXEDSJAO-LJQANCHMSA-N 1 0 395.547 4.358 20 0 GIADRO C[C@@H](NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1)c1cc2ccccc2o1 ZINC000409626587 823265475 /nfs/dbraw/zinc/26/54/75/823265475.db2.gz UVTPCIXJTQYPIR-LJQANCHMSA-N 1 0 391.515 4.212 20 0 GIADRO Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)cc1 ZINC000572010866 823269016 /nfs/dbraw/zinc/26/90/16/823269016.db2.gz SKZLSMCFZCHAMA-XMSQKQJNSA-N 1 0 397.494 4.069 20 0 GIADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1cccc(-c2noc(C3CC3)n2)c1 ZINC000176684344 823267082 /nfs/dbraw/zinc/26/70/82/823267082.db2.gz WHEPGAIRQLZSDO-SFHVURJKSA-N 1 0 383.496 4.000 20 0 GIADRO O=C(NC[C@@H]1CCCC(F)(F)C1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000409637800 823269745 /nfs/dbraw/zinc/26/97/45/823269745.db2.gz KWYITGUASRFFNS-XUBOLADHSA-N 1 0 391.506 4.307 20 0 GIADRO CC(C)OCC[NH+]1CCC(NC(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)CC1 ZINC000176696064 823270161 /nfs/dbraw/zinc/27/01/61/823270161.db2.gz FHJWKJXQMLHVSS-MOPGFXCFSA-N 1 0 399.362 4.103 20 0 GIADRO CC[NH+]1CCC(n2nccc2NC(=O)[C@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000409640598 823270576 /nfs/dbraw/zinc/27/05/76/823270576.db2.gz UCFDTIMISRLEHZ-CQSZACIVSA-N 1 0 394.441 4.301 20 0 GIADRO CCOc1ccc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000004885997 817539531 /nfs/dbraw/zinc/53/95/31/817539531.db2.gz OBONHZQXIXBDTQ-SEJPIABJSA-N 1 0 379.504 4.402 20 0 GIADRO C[NH+](C)CCc1ccc(C(=O)NCc2cccnc2Oc2cccc(F)c2)cc1 ZINC000572026038 823271162 /nfs/dbraw/zinc/27/11/62/823271162.db2.gz OSUCPWQMIMUWGF-UHFFFAOYSA-N 1 0 393.462 4.047 20 0 GIADRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3[nH]c4ccccc4c3Cl)cc2)CC1 ZINC000057250298 823271213 /nfs/dbraw/zinc/27/12/13/823271213.db2.gz AIOBSVBBCZLFKC-UHFFFAOYSA-N 1 0 396.922 4.211 20 0 GIADRO C[C@@H]1C[NH+](CCCCNC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2Cl)C[C@@H](C)O1 ZINC000176703225 823271857 /nfs/dbraw/zinc/27/18/57/823271857.db2.gz KFDJUGVJCJWUMD-MUIFIZLQSA-N 1 0 399.362 4.103 20 0 GIADRO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)cc1 ZINC000572033447 823271997 /nfs/dbraw/zinc/27/19/97/823271997.db2.gz IVHHTDKSWQWIHF-XXBNENTESA-N 1 0 389.499 4.159 20 0 GIADRO CC(C)c1csc(CNC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000121895158 823272233 /nfs/dbraw/zinc/27/22/33/823272233.db2.gz VGNKOJMQLDOHIC-UHFFFAOYSA-N 1 0 386.565 4.073 20 0 GIADRO Cc1c2cc(Cl)ccc2oc1C(=O)NCCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000176704507 823272447 /nfs/dbraw/zinc/27/24/47/823272447.db2.gz VVAGGDBVEHRSFU-OKILXGFUSA-N 1 0 378.900 4.014 20 0 GIADRO CCc1ccc([C@@H](C/N=C/c2cc(Br)ccc2O)[NH+](C)C)cc1 ZINC000005292416 817569909 /nfs/dbraw/zinc/56/99/09/817569909.db2.gz WDBRQDPKGVICRD-AGKWGAAGSA-N 1 0 375.310 4.439 20 0 GIADRO O=S1(=O)CCC[C@H](C[NH2+][C@H](Cc2ccc(Cl)cc2)C2CCCCC2)C1 ZINC000572053951 823274891 /nfs/dbraw/zinc/27/48/91/823274891.db2.gz ZCGWRKJIHRVPNS-YLJYHZDGSA-N 1 0 383.985 4.246 20 0 GIADRO COC(=O)c1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H]2c2c(C)n[nH]c2C)o1 ZINC000572047637 823273914 /nfs/dbraw/zinc/27/39/14/823273914.db2.gz QGLRKRRNEIRCLU-LJQANCHMSA-N 1 0 379.460 4.410 20 0 GIADRO CC1=NN(c2ccc(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)cc2)CC1 ZINC000176724090 823278164 /nfs/dbraw/zinc/27/81/64/823278164.db2.gz RTGLBNKTRUBGMM-UGKGYDQZSA-N 1 0 390.531 4.056 20 0 GIADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)Nc2cccc(CSc3ccccn3)c2)C1 ZINC000121925646 823278201 /nfs/dbraw/zinc/27/82/01/823278201.db2.gz FMDVEOJFMIRVQF-LJQANCHMSA-N 1 0 398.576 4.473 20 0 GIADRO CC(C)(C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)cc1F ZINC000188638761 823278323 /nfs/dbraw/zinc/27/83/23/823278323.db2.gz ZIKNIMJAKCRBAT-UHFFFAOYSA-N 1 0 389.902 4.185 20 0 GIADRO CC(C)(C)[C@@H](NC(=O)NC1CC[NH+](Cc2ccccn2)CC1)c1ccc(F)cc1 ZINC000121933304 823279881 /nfs/dbraw/zinc/27/98/81/823279881.db2.gz OJIIQUXOKBOBCQ-NRFANRHFSA-N 1 0 398.526 4.272 20 0 GIADRO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](Cc3cn(-c4ccccc4)nc3C(C)C)C2)n1 ZINC000121909569 823275074 /nfs/dbraw/zinc/27/50/74/823275074.db2.gz NLDVGKLCVBUTEX-HXUWFJFHSA-N 1 0 392.551 4.116 20 0 GIADRO Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)c1C ZINC000188623467 823275109 /nfs/dbraw/zinc/27/51/09/823275109.db2.gz IGJLGIGCEFCZNZ-QOKNQOGYSA-N 1 0 386.458 4.094 20 0 GIADRO COc1cccc2c1CC[C@@H]2[NH2+][C@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000121910839 823275335 /nfs/dbraw/zinc/27/53/35/823275335.db2.gz OXKBGLBIXLWIDE-IERDGZPVSA-N 1 0 377.488 4.346 20 0 GIADRO CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000188626319 823275713 /nfs/dbraw/zinc/27/57/13/823275713.db2.gz ZKTLWKZLCLCATP-QOKNQOGYSA-N 1 0 386.458 4.039 20 0 GIADRO C[C@H](c1ccco1)N(C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)C1CC1 ZINC000121913497 823276015 /nfs/dbraw/zinc/27/60/15/823276015.db2.gz USXWJTUVGYRATP-IAGOWNOFSA-N 1 0 387.549 4.488 20 0 GIADRO COc1c(Cl)cccc1NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000572082182 823280112 /nfs/dbraw/zinc/28/01/12/823280112.db2.gz YTWGQOXYWJCLAW-MSOLQXFVSA-N 1 0 399.922 4.334 20 0 GIADRO CCCc1occc1C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000409662350 823276961 /nfs/dbraw/zinc/27/69/61/823276961.db2.gz BMLXWBNDXWGUCT-UHFFFAOYSA-N 1 0 383.492 4.299 20 0 GIADRO CC[NH+]1CCC(CNC(=O)c2cccc(OCc3cccc(Cl)c3)c2)CC1 ZINC000572065528 823277001 /nfs/dbraw/zinc/27/70/01/823277001.db2.gz BMQDVXZYKRLMMC-UHFFFAOYSA-N 1 0 386.923 4.381 20 0 GIADRO Cc1nc(CSc2ccc(C(=O)N3CCCC[C@H]3[C@@H](C)[NH3+])cc2)cs1 ZINC000121937012 823280494 /nfs/dbraw/zinc/28/04/94/823280494.db2.gz XLIPYUZERWMTFV-ACJLOTCBSA-N 1 0 375.563 4.086 20 0 GIADRO CC(C)c1cc(C(=O)N2C[C@H]3CCC[N@@H+]3Cc3ccccc32)nn1C(C)(C)C ZINC000460027234 823280692 /nfs/dbraw/zinc/28/06/92/823280692.db2.gz PJDVDDWRWHJGDK-GOSISDBHSA-N 1 0 380.536 4.386 20 0 GIADRO CC(=O)Nc1ccc(C)c(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)c1 ZINC000188655814 823281226 /nfs/dbraw/zinc/28/12/26/823281226.db2.gz IEVRSBBJUKMFFY-QHCPKHFHSA-N 1 0 393.531 4.156 20 0 GIADRO C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188662211 823282056 /nfs/dbraw/zinc/28/20/56/823282056.db2.gz XWDBCJJYVISZBV-LLVKDONJSA-N 1 0 381.328 4.394 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)Cn1nc(C(F)(F)F)sc1=S ZINC000188662284 823282131 /nfs/dbraw/zinc/28/21/31/823282131.db2.gz LUCURFSLBJZSBR-UHFFFAOYSA-N 1 0 390.500 4.234 20 0 GIADRO CN(C)C(=O)c1ccc(C[NH2+][C@@H](Cc2ccc(Cl)cc2)c2ccccc2)[nH]1 ZINC000176741381 823282182 /nfs/dbraw/zinc/28/21/82/823282182.db2.gz DAQYNLCOPQBJJN-NRFANRHFSA-N 1 0 381.907 4.444 20 0 GIADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc3c(c2)nc(C(F)F)n3C)C1 ZINC000409685347 823282624 /nfs/dbraw/zinc/28/26/24/823282624.db2.gz KOCYUEIIBJPPCJ-CQSZACIVSA-N 1 0 392.494 4.141 20 0 GIADRO C[C@@H](C(=O)NCc1ccc(F)c(C[NH+](C)C)c1)c1ccc(C(F)(F)F)cc1 ZINC000409700993 823285825 /nfs/dbraw/zinc/28/58/25/823285825.db2.gz XUKBJEYHOXUNCE-CYBMUJFWSA-N 1 0 382.401 4.326 20 0 GIADRO C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1cccs1)C[C@H](O)CC(F)(F)F ZINC000188677388 823284668 /nfs/dbraw/zinc/28/46/68/823284668.db2.gz SBLACCHWTLFCSH-MRXNPFEDSA-N 1 0 395.450 4.346 20 0 GIADRO CCCC[N@H+](C)CC1CCN(Cn2nc(C(F)(F)F)sc2=S)CC1 ZINC000188676436 823284744 /nfs/dbraw/zinc/28/47/44/823284744.db2.gz LZJZGPNAZVASDV-UHFFFAOYSA-N 1 0 382.521 4.094 20 0 GIADRO CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]Cc1cccc(OCC(=O)N(C)C)c1 ZINC000121958973 823284908 /nfs/dbraw/zinc/28/49/08/823284908.db2.gz LDUKIVRIDYBIMY-QFIPXVFZSA-N 1 0 396.531 4.281 20 0 GIADRO CCO[C@H]1C[C@]([NH3+])(C(=O)Nc2nc(-c3ccc(F)c(Cl)c3)cs2)C1(C)C ZINC000572117031 823286069 /nfs/dbraw/zinc/28/60/69/823286069.db2.gz QFJNLPMTUZBPOL-KSSFIOAISA-N 1 0 397.903 4.074 20 0 GIADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2cc(F)cc(F)c2)CC1 ZINC000007105970 817760577 /nfs/dbraw/zinc/76/05/77/817760577.db2.gz VAENXIKEDRXMIW-UHFFFAOYSA-N 1 0 379.838 4.012 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)c2oc3ccc(OC)cc3c2C)CC1 ZINC000007107218 817761254 /nfs/dbraw/zinc/76/12/54/817761254.db2.gz FFZFHJKEJBRMBZ-UHFFFAOYSA-N 1 0 393.487 4.144 20 0 GIADRO CCC[N@@H+]1Cc2cccc(N[C@H]3CCCN(Cc4ccc(F)cc4F)C3=O)c2C1 ZINC000188693479 823287029 /nfs/dbraw/zinc/28/70/29/823287029.db2.gz METCZBUWTPXYSW-QFIPXVFZSA-N 1 0 399.485 4.294 20 0 GIADRO Cc1cc(C)c(NC(=O)N2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c(C)c1 ZINC000176766527 823287631 /nfs/dbraw/zinc/28/76/31/823287631.db2.gz YDMCPQLLGFRWAI-WOJBJXKFSA-N 1 0 387.568 4.355 20 0 GIADRO CSc1cccc(NC(=O)N2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000176768394 823288535 /nfs/dbraw/zinc/28/85/35/823288535.db2.gz TTZLONHPYAJKLZ-IAGOWNOFSA-N 1 0 391.581 4.152 20 0 GIADRO CCS(=O)(=O)c1ccc(N2CCC([NH2+][C@H]3CCCC[C@H]3C(C)C)CC2)cc1 ZINC000121985248 823288730 /nfs/dbraw/zinc/28/87/30/823288730.db2.gz KPDLQYGZNHHYOA-VXKWHMMOSA-N 1 0 392.609 4.253 20 0 GIADRO CC(C)(C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccccc1Br ZINC000409714802 823289167 /nfs/dbraw/zinc/28/91/67/823289167.db2.gz WZHUAWQUQDKTSO-MRXNPFEDSA-N 1 0 393.369 4.204 20 0 GIADRO CCOc1cc(N2CCOC(C)(C)C2)ccc1NC1CC[NH+](C(C)(C)C)CC1 ZINC000188705567 823289442 /nfs/dbraw/zinc/28/94/42/823289442.db2.gz LNMABAYGHPQUCH-UHFFFAOYSA-N 1 0 389.584 4.375 20 0 GIADRO Cc1ccncc1C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000460126940 823290314 /nfs/dbraw/zinc/29/03/14/823290314.db2.gz JJDKDVINZLMIFJ-VQIMIIECSA-N 1 0 391.437 4.222 20 0 GIADRO CCC[C@H](C)[C@@H](CC)[NH2+]C1CCN(c2ccc(S(=O)(=O)CC)cc2)CC1 ZINC000121994924 823290357 /nfs/dbraw/zinc/29/03/57/823290357.db2.gz QBLZQDXSEZDJMU-LAUBAEHRSA-N 1 0 380.598 4.253 20 0 GIADRO CCOc1c(Cl)cccc1CC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000188709686 823290370 /nfs/dbraw/zinc/29/03/70/823290370.db2.gz SASSTMKHCBXXRO-UHFFFAOYSA-N 1 0 378.944 4.195 20 0 GIADRO COc1cc(CNC(=O)C[N@H+](C)C2CCCCC2)ccc1OCc1ccccc1 ZINC000007340415 817820834 /nfs/dbraw/zinc/82/08/34/817820834.db2.gz CYPSXGWHTPKBOA-UHFFFAOYSA-N 1 0 396.531 4.155 20 0 GIADRO C[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000460128813 823290582 /nfs/dbraw/zinc/29/05/82/823290582.db2.gz NGMFNTTUNWIPPJ-CQSZACIVSA-N 1 0 390.915 4.079 20 0 GIADRO O=C(CSc1cccc(C(F)(F)F)c1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000007362013 817824608 /nfs/dbraw/zinc/82/46/08/817824608.db2.gz HGWPECPWUKMSHU-QGZVFWFLSA-N 1 0 394.462 4.188 20 0 GIADRO CC1(C)CC(NC(=S)Nc2ccc(OC(F)(F)F)cc2)CC(C)(C)[NH2+]1 ZINC000007368080 817825043 /nfs/dbraw/zinc/82/50/43/817825043.db2.gz JOWARVIPLXSKKZ-UHFFFAOYSA-N 1 0 375.460 4.181 20 0 GIADRO C[NH+](C)[C@@H](CNC(=S)Nc1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC000007368491 817825052 /nfs/dbraw/zinc/82/50/52/817825052.db2.gz FKTDZYFKKYDSQN-INIZCTEOSA-N 1 0 383.439 4.175 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC(C)(C)c1cccs1 ZINC000176785374 823292106 /nfs/dbraw/zinc/29/21/06/823292106.db2.gz FFKORVUYQNPHRG-LJQANCHMSA-N 1 0 385.577 4.189 20 0 GIADRO C[NH+](C)CCOc1ccccc1-c1noc(CO[C@@H]2CCCc3ccccc32)n1 ZINC000572163489 823292604 /nfs/dbraw/zinc/29/26/04/823292604.db2.gz MBSYZTYBPLHFMP-HXUWFJFHSA-N 1 0 393.487 4.271 20 0 GIADRO O=C(NCc1ccc(Cl)s1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000460135748 823292718 /nfs/dbraw/zinc/29/27/18/823292718.db2.gz SMWQLUSCBZSQPN-IRXDYDNUSA-N 1 0 389.952 4.065 20 0 GIADRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1cccnc1C(F)(F)F ZINC000188721398 823292888 /nfs/dbraw/zinc/29/28/88/823292888.db2.gz ABUDDRXILWEUNQ-UHFFFAOYSA-N 1 0 395.450 4.210 20 0 GIADRO CC[N@H+](Cc1cc(Br)c2c(c1)OCCO2)[C@H](C)c1cccnc1 ZINC000572167079 823293425 /nfs/dbraw/zinc/29/34/25/823293425.db2.gz PEIIDQWHLPMENH-CYBMUJFWSA-N 1 0 377.282 4.198 20 0 GIADRO CC(C)C[C@@H](C)n1nccc1NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000460138876 823294025 /nfs/dbraw/zinc/29/40/25/823294025.db2.gz YSXNDZCBMULUEF-GOSISDBHSA-N 1 0 383.540 4.276 20 0 GIADRO Cc1ccc(CNCc2cc(O)cc(C(F)(F)F)c2)c(OC[C@@H]2CCOC2)c1 ZINC000572170481 823294057 /nfs/dbraw/zinc/29/40/57/823294057.db2.gz SNCSDJWCOKZGOU-OAHLLOKOSA-N 1 0 395.421 4.425 20 0 GIADRO C[C@H]([NH2+]C[C@@H](c1c2ccccc2[nH]c1-c1ccccc1)c1ccccc1)C(N)=O ZINC000007546736 817866225 /nfs/dbraw/zinc/86/62/25/817866225.db2.gz YAFDUXVEHASZHS-LAUBAEHRSA-N 1 0 383.495 4.430 20 0 GIADRO C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)NCC(C)(C)[NH+](C)C ZINC000057427982 823294785 /nfs/dbraw/zinc/29/47/85/823294785.db2.gz CFJKPTOZKVZFRK-CYBMUJFWSA-N 1 0 395.956 4.073 20 0 GIADRO CC[C@H](NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)c1ccccc1 ZINC000460140612 823294775 /nfs/dbraw/zinc/29/47/75/823294775.db2.gz BOWDDGKXJAMYSU-VABKMULXSA-N 1 0 377.532 4.301 20 0 GIADRO COCC[N@H+](C)CC[C@@H](NC(=O)[C@H]1CCSc2ccccc21)c1ccccc1 ZINC000460149706 823297766 /nfs/dbraw/zinc/29/77/66/823297766.db2.gz JQKZSLBVIFJOJO-LEWJYISDSA-N 1 0 398.572 4.092 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)N[C@H](COC)c1cccc(Cl)c1)c1ccco1 ZINC000460141522 823295137 /nfs/dbraw/zinc/29/51/37/823295137.db2.gz GEAHLYOQJPJBNI-MSOLQXFVSA-N 1 0 393.915 4.003 20 0 GIADRO Cc1cccc(NC(=S)C(C(=O)c2ccc([N+](=O)[O-])cc2)[n+]2ccccc2)c1 ZINC000007611213 817879283 /nfs/dbraw/zinc/87/92/83/817879283.db2.gz MSAVFVAUGFBZPU-UHFFFAOYSA-O 1 0 392.460 4.242 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1ccccc1Br)c1ccccc1 ZINC000007686406 817895033 /nfs/dbraw/zinc/89/50/33/817895033.db2.gz NGWWNQMLEZEJHO-GOSISDBHSA-N 1 0 375.310 4.262 20 0 GIADRO Brc1ccc2oc(C[N@@H+]3CCCN4c5ccccc5C[C@@H]4C3)nc2c1 ZINC000572207803 823300621 /nfs/dbraw/zinc/30/06/21/823300621.db2.gz NAOPDPHWFKUYAA-MRXNPFEDSA-N 1 0 398.304 4.227 20 0 GIADRO Cc1c2ccccc2oc(=O)c1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000176817920 823301041 /nfs/dbraw/zinc/30/10/41/823301041.db2.gz PCYBFLLTBDEOER-UHFFFAOYSA-N 1 0 376.456 4.340 20 0 GIADRO CC(C)[C@H](NC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccc(F)cc1 ZINC000409762921 823301429 /nfs/dbraw/zinc/30/14/29/823301429.db2.gz FXWKQKRKARCPQY-JTSKRJEESA-N 1 0 398.526 4.443 20 0 GIADRO CC(C)[C@@H](NC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccc(F)cc1 ZINC000409762919 823301486 /nfs/dbraw/zinc/30/14/86/823301486.db2.gz FXWKQKRKARCPQY-HTAPYJJXSA-N 1 0 398.526 4.443 20 0 GIADRO O=C(CCOc1ccccc1F)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000572211490 823301524 /nfs/dbraw/zinc/30/15/24/823301524.db2.gz XWBDUHWKDJSBHW-FQEVSTJZSA-N 1 0 384.495 4.013 20 0 GIADRO CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@H](C)c1cccc(NC(C)=O)c1 ZINC000460163371 823302525 /nfs/dbraw/zinc/30/25/25/823302525.db2.gz KTWNNGZLXWSADY-GOSISDBHSA-N 1 0 388.556 4.004 20 0 GIADRO CC1(C)CC(NC(=S)NCCSc2ccc(Cl)cc2)CC(C)(C)[NH2+]1 ZINC000007926153 817960039 /nfs/dbraw/zinc/96/00/39/817960039.db2.gz WCOLRSPBDHBZRN-UHFFFAOYSA-N 1 0 386.030 4.205 20 0 GIADRO CC(C)(CO)[C@@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)c1ccccc1 ZINC000572205788 823300136 /nfs/dbraw/zinc/30/01/36/823300136.db2.gz ZCZQCNBGKLFCLS-FQEVSTJZSA-N 1 0 375.896 4.351 20 0 GIADRO CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000460167967 823303911 /nfs/dbraw/zinc/30/39/11/823303911.db2.gz ITDUAKIKEYUOMQ-RHSMWYFYSA-N 1 0 395.473 4.293 20 0 GIADRO O=C(N[C@H](c1c(Cl)cccc1Cl)C1CC1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000572227345 823304344 /nfs/dbraw/zinc/30/43/44/823304344.db2.gz PZDVCDAJNJZFLJ-MMQJMDILSA-N 1 0 382.335 4.132 20 0 GIADRO COc1ccc(NC(=O)c2ccccc2NC(=O)C[N@H+](C)C2CCCCC2)cc1 ZINC000008121637 818003824 /nfs/dbraw/zinc/00/38/24/818003824.db2.gz QXBFKARZFPWAJH-UHFFFAOYSA-N 1 0 395.503 4.151 20 0 GIADRO CC(C)[NH+](CCNC(=O)N[C@H](C)c1cccc(OCc2ccccn2)c1)C(C)C ZINC000057508203 823305599 /nfs/dbraw/zinc/30/55/99/823305599.db2.gz JQHBEJUCTWBXRC-LJQANCHMSA-N 1 0 398.551 4.140 20 0 GIADRO Cc1ncsc1/C=C/C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000188791407 823306533 /nfs/dbraw/zinc/30/65/33/823306533.db2.gz IMMRPLNWGLSGTR-OZSKJFCKSA-N 1 0 375.925 4.071 20 0 GIADRO CCn1c(Cc2ccc3ccccc3c2)nnc1N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000460177353 823306664 /nfs/dbraw/zinc/30/66/64/823306664.db2.gz LMRHMZWCRAQGFG-XMSQKQJNSA-N 1 0 391.563 4.351 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cc(C)nc2c1cnn2C(C)C ZINC000010968254 818036693 /nfs/dbraw/zinc/03/66/93/818036693.db2.gz YGCVNWWHWQNPQZ-UHFFFAOYSA-N 1 0 393.535 4.092 20 0 GIADRO CC[C@@H](NC(=O)NC[C@@H](c1ccsc1)[NH+](CC)CC)c1c(C)noc1C ZINC000122122132 823309354 /nfs/dbraw/zinc/30/93/54/823309354.db2.gz DOTVUCPCGFYNNM-SJORKVTESA-N 1 0 378.542 4.186 20 0 GIADRO Cc1ccccc1[C@H](OC[C@H](O)C[NH2+]C(C)(C)c1nccs1)c1ccccc1 ZINC000122121810 823309464 /nfs/dbraw/zinc/30/94/64/823309464.db2.gz NJCFBRPJWBCVFD-TZIWHRDSSA-N 1 0 396.556 4.443 20 0 GIADRO O=C(NC1CC1)[C@H]([NH2+]CCCSc1ccc(F)cc1)c1ccc(F)cc1 ZINC000011256980 818066190 /nfs/dbraw/zinc/06/61/90/818066190.db2.gz VUMPLUFOPQHRSX-LJQANCHMSA-N 1 0 376.472 4.057 20 0 GIADRO CN(C(=O)c1cccc(Cl)c1Cl)C1CC[NH+](Cc2ccncc2)CC1 ZINC000057559500 823309718 /nfs/dbraw/zinc/30/97/18/823309718.db2.gz AEUWQPLZDMCSHF-UHFFFAOYSA-N 1 0 378.303 4.125 20 0 GIADRO Cc1ccc(COc2ccc(C[NH+]3CCC(O[C@@H]4CCOC4)CC3)cc2)cc1 ZINC000572266213 823309926 /nfs/dbraw/zinc/30/99/26/823309926.db2.gz CXKHRWUACAONEM-XMMPIXPASA-N 1 0 381.516 4.344 20 0 GIADRO COc1ccc([C@@H](NC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)C2CC2)cc1 ZINC000057566276 823310238 /nfs/dbraw/zinc/31/02/38/823310238.db2.gz APTPYTHXDVQVDJ-GMAHTHKFSA-N 1 0 393.531 4.110 20 0 GIADRO Cc1ccnc(OC2CCN([C@@H](C)C(=O)Nc3cc(Cl)ccc3C)CC2)c1 ZINC000572268909 823310412 /nfs/dbraw/zinc/31/04/12/823310412.db2.gz SWEPRPLRIIROGV-INIZCTEOSA-N 1 0 387.911 4.222 20 0 GIADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)N[C@@H](c1c[nH]c2ccccc21)C(F)(F)F ZINC000572267950 823310521 /nfs/dbraw/zinc/31/05/21/823310521.db2.gz TUFBSTQQSRVZHR-KSSFIOAISA-N 1 0 396.457 4.287 20 0 GIADRO COc1cc([C@@H](C)NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)ccc1OC(C)C ZINC000057612940 823314869 /nfs/dbraw/zinc/31/48/69/823314869.db2.gz RRGLMQJVWZAIFR-QGZVFWFLSA-N 1 0 391.556 4.059 20 0 GIADRO Cc1ccc(-c2ocnc2C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000460189536 823310833 /nfs/dbraw/zinc/31/08/33/823310833.db2.gz DDBWMOGSMHQPCA-LJQANCHMSA-N 1 0 389.499 4.387 20 0 GIADRO CC(C)(C)OC1CC(CC[NH2+]C[C@@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC000572275925 823311855 /nfs/dbraw/zinc/31/18/55/823311855.db2.gz LNJOHTWOHDHRHM-HJSRJYPHSA-N 1 0 375.553 4.015 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)N[C@H]1CCSc2ccc(F)cc21 ZINC000011641795 818102784 /nfs/dbraw/zinc/10/27/84/818102784.db2.gz DBBRISJJXCPYGW-FQEVSTJZSA-N 1 0 399.535 4.326 20 0 GIADRO COc1ccc2c(CC(=O)N3c4ccc(C)cc4[C@@H]4C[N@@H+](C)CC[C@@H]43)coc2c1 ZINC000011760227 818117242 /nfs/dbraw/zinc/11/72/42/818117242.db2.gz DTNPXCXXBGBLFW-UNMCSNQZSA-N 1 0 390.483 4.127 20 0 GIADRO COc1ccc(C[N@H+](CC(=O)Nc2ccnn2C2CCCC2)[C@@H](C)C2CC2)cc1 ZINC000057601770 823313408 /nfs/dbraw/zinc/31/34/08/823313408.db2.gz PJQBXESGMCJYJW-KRWDZBQOSA-N 1 0 396.535 4.246 20 0 GIADRO COc1ccc(C[N@H+](CC(=O)N(C)Cc2ccc(F)cc2)[C@H](C)C2CC2)cc1 ZINC000057601687 823313485 /nfs/dbraw/zinc/31/34/85/823313485.db2.gz KRJDQJYILKOXGL-QGZVFWFLSA-N 1 0 384.495 4.093 20 0 GIADRO CCOC(=O)C(C)(C)C1CC[NH+](Cc2c(C)nn(CC(C)C)c2OCC)CC1 ZINC000572286525 823313616 /nfs/dbraw/zinc/31/36/16/823313616.db2.gz NLPBCHYBQDPWAU-UHFFFAOYSA-N 1 0 393.572 4.048 20 0 GIADRO COc1ccc(C[C@@H](C)C[N@H+](C)Cc2nc(-c3cccs3)no2)cc1F ZINC000572286417 823313742 /nfs/dbraw/zinc/31/37/42/823313742.db2.gz ITECVSMTAXHWTA-CYBMUJFWSA-N 1 0 375.469 4.256 20 0 GIADRO C[C@H]1C[NH+](CCC2CCN(C(=O)CC3CC(c4ccccc4)C3)CC2)C[C@H](C)O1 ZINC000409811316 823313850 /nfs/dbraw/zinc/31/38/50/823313850.db2.gz VYZZTJCWCQUDPC-XIXYPUAESA-N 1 0 398.591 4.308 20 0 GIADRO COc1cc(CN(C)C(=O)NCCC[N@H+](C)C2CCCCC2)ccc1SC ZINC000057612611 823314528 /nfs/dbraw/zinc/31/45/28/823314528.db2.gz IZPIKYBIGLIDJT-UHFFFAOYSA-N 1 0 393.597 4.213 20 0 GIADRO C[C@@H]1CCCc2ccccc2[C@H]1[NH2+][C@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000572291924 823314614 /nfs/dbraw/zinc/31/46/14/823314614.db2.gz ISNKCFLBFZDPCW-YDFBLROQSA-N 1 0 384.545 4.015 20 0 GIADRO CCOc1cc(CNCC2([NH+](C)C)CCCCC2)cc(Br)c1OC ZINC000057681672 823320897 /nfs/dbraw/zinc/32/08/97/823320897.db2.gz BHMBKOZLKJTAKX-UHFFFAOYSA-N 1 0 399.373 4.211 20 0 GIADRO CCn1c(-c2ccccc2)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000460203684 823316043 /nfs/dbraw/zinc/31/60/43/823316043.db2.gz DIERRMFAXGBENV-UHFFFAOYSA-N 1 0 375.520 4.066 20 0 GIADRO CS(=O)(=O)c1cccc([C@@H]([NH2+]CCCc2ccccc2)c2ccccc2)c1 ZINC000176883534 823317091 /nfs/dbraw/zinc/31/70/91/823317091.db2.gz FQGIRYPZLGLCIY-QHCPKHFHSA-N 1 0 379.525 4.402 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)c2cccnc2C(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000188848953 823317141 /nfs/dbraw/zinc/31/71/41/823317141.db2.gz FZZVAYVYQTYIPI-DOTOQJQBSA-N 1 0 391.437 4.226 20 0 GIADRO COc1ccc(Br)cc1C[NH2+]C[C@@H](c1ccccc1)N1CCCC1 ZINC000057681766 823320909 /nfs/dbraw/zinc/32/09/09/823320909.db2.gz NZKMVGPLQSDSGQ-IBGZPJMESA-N 1 0 389.337 4.384 20 0 GIADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2c(C)c(C)oc2-c2ccccc2)[C@H](C)C1 ZINC000188856489 823317818 /nfs/dbraw/zinc/31/78/18/823317818.db2.gz HXLBYQJTOSXEKC-DYESRHJHSA-N 1 0 398.547 4.430 20 0 GIADRO COc1ccc(C[N@H+](C)C[C@H](O)COc2ccc(-c3ccccc3)cc2)cc1 ZINC000012807486 818182631 /nfs/dbraw/zinc/18/26/31/818182631.db2.gz DXWIWENOBRQHOL-QFIPXVFZSA-N 1 0 377.484 4.234 20 0 GIADRO Cc1nc(CC(C)C)oc1C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000188866772 823319753 /nfs/dbraw/zinc/31/97/53/823319753.db2.gz VMUQVGPOIPKMMP-YJBOKZPZSA-N 1 0 375.538 4.056 20 0 GIADRO c1cc(C[NH+]2CCCC2)cc(-c2noc(-c3ccc(O[C@@H]4CCOC4)cc3)n2)c1 ZINC000572322393 823319766 /nfs/dbraw/zinc/31/97/66/823319766.db2.gz YUNIKPNWRCAIIX-OAQYLSRUSA-N 1 0 391.471 4.167 20 0 GIADRO CC1(C(=O)NCCc2c[nH]c3ccc(F)cc23)CC[NH+](Cc2ccccc2)CC1 ZINC000572322996 823319885 /nfs/dbraw/zinc/31/98/85/823319885.db2.gz SPEDQEMJWNFWOX-UHFFFAOYSA-N 1 0 393.506 4.268 20 0 GIADRO O=C1c2ccccc2C(=O)N1CCCC[N@H+]1CC=C(c2c[nH]c3ccccc23)CC1 ZINC000013487261 818213838 /nfs/dbraw/zinc/21/38/38/818213838.db2.gz NHYDRWFNASRSEN-UHFFFAOYSA-N 1 0 399.494 4.333 20 0 GIADRO CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460218069 823320954 /nfs/dbraw/zinc/32/09/54/823320954.db2.gz BKJMRXNJTBTKQE-YOEHRIQHSA-N 1 0 393.457 4.047 20 0 GIADRO CCC[NH+]1CCC(N(C)c2nnc(CSc3ccc(C)cc3)n2CC)CC1 ZINC000460220504 823321807 /nfs/dbraw/zinc/32/18/07/823321807.db2.gz IAFCXMIUURWGAH-UHFFFAOYSA-N 1 0 387.597 4.209 20 0 GIADRO CCc1nc(C)c([C@H](C)[N@H+](C)CCCCN2C(=O)c3ccccc3C2=O)s1 ZINC000122218808 823323186 /nfs/dbraw/zinc/32/31/86/823323186.db2.gz OOVUUGIIRQDRMM-HNNXBMFYSA-N 1 0 385.533 4.083 20 0 GIADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(NC(=O)c2ccco2)cc1 ZINC000122224538 823323850 /nfs/dbraw/zinc/32/38/50/823323850.db2.gz QJILXKKIDOEGIN-ZWKOTPCHSA-N 1 0 399.491 4.067 20 0 GIADRO CCn1c(Cc2ccc3ccccc3c2)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000460228569 823323857 /nfs/dbraw/zinc/32/38/57/823323857.db2.gz BMKSLHUVRASYDA-GCJKJVERSA-N 1 0 389.547 4.105 20 0 GIADRO C[C@@H](CNC(=O)c1ccccc1CSc1nc2ccccc2o1)[N@H+](C)C1CC1 ZINC000057711315 823323961 /nfs/dbraw/zinc/32/39/61/823323961.db2.gz PHTUCNQBWNAMDE-HNNXBMFYSA-N 1 0 395.528 4.333 20 0 GIADRO COc1ccccc1C[C@H](C)CC(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000409847362 823324124 /nfs/dbraw/zinc/32/41/24/823324124.db2.gz DOPJOJGBKDLYRK-NNMXDRDESA-N 1 0 380.532 4.216 20 0 GIADRO CCn1c(-c2cccc3ccccc32)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000460230739 823324667 /nfs/dbraw/zinc/32/46/67/823324667.db2.gz QJZMXVGGMJDEJI-MJGOQNOKSA-N 1 0 375.520 4.181 20 0 GIADRO 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 823324871 /nfs/dbraw/zinc/32/48/71/823324871.db2.gz ISBKGCOCGYQZGQ-XQVPTLPVSA-N 1 0 378.516 4.458 20 0 GIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)Cc2cccc(C(F)(F)F)c2)C1 ZINC000409849027 823325101 /nfs/dbraw/zinc/32/51/01/823325101.db2.gz LUVLLQCADNDNAP-HNAYVOBHSA-N 1 0 376.422 4.200 20 0 GIADRO O[C@H](COCc1cccs1)C[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1 ZINC000176922937 823325075 /nfs/dbraw/zinc/32/50/75/823325075.db2.gz MUCVKJCCUGZMON-AOIWGVFYSA-N 1 0 395.590 4.055 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(Cl)cc1OC(F)F)c1cccs1 ZINC000460236802 823326578 /nfs/dbraw/zinc/32/65/78/823326578.db2.gz LYCMBXMMUDQNSS-LBPRGKRZSA-N 1 0 389.855 4.427 20 0 GIADRO COC(=O)c1c(C)[nH]c(C(=O)C[N@@H+]2CCCCC[C@@H]2c2ccc(OC)cc2)c1C ZINC000015105678 818290903 /nfs/dbraw/zinc/29/09/03/818290903.db2.gz YYAGRODEGSGZCP-LJQANCHMSA-N 1 0 398.503 4.227 20 0 GIADRO C[C@@H](O)[C@@](C)(C[NH2+]C1CCC2(CC1)C(=O)Nc1ccccc12)Cc1ccccc1 ZINC000188910038 823327005 /nfs/dbraw/zinc/32/70/05/823327005.db2.gz JVUGSPIOGFBJHN-YGNMWTRNSA-N 1 0 392.543 4.039 20 0 GIADRO CCN(CCC[NH+]1CCCC1)C(=O)N[C@H]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000572359417 823327367 /nfs/dbraw/zinc/32/73/67/823327367.db2.gz HUKNSUHHWWOPOM-OALUTQOASA-N 1 0 397.567 4.107 20 0 GIADRO CN(C)c1cccc(CCC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000188914738 823327822 /nfs/dbraw/zinc/32/78/22/823327822.db2.gz XZXYRVTWMZFHQE-UHFFFAOYSA-N 1 0 399.966 4.119 20 0 GIADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000460239743 823327952 /nfs/dbraw/zinc/32/79/52/823327952.db2.gz SRNBPPZTBGRXIL-NSHDSACASA-N 1 0 375.847 4.135 20 0 GIADRO Cc1cccc(C)c1OCc1nnc(SCC[NH+](C)C)n1-c1ccccc1 ZINC000057749318 823328109 /nfs/dbraw/zinc/32/81/09/823328109.db2.gz AAFXUWIRPZMDCO-UHFFFAOYSA-N 1 0 382.533 4.117 20 0 GIADRO Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@H](CC(=O)N(C)C)c1ccccc1 ZINC000572390053 823331912 /nfs/dbraw/zinc/33/19/12/823331912.db2.gz VRUSGFVBIBHTQG-OAQYLSRUSA-N 1 0 396.922 4.143 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCOc2c(Br)cccc21)C(=O)N1[C@H](C)CCC[C@H]1C ZINC000409858097 823328235 /nfs/dbraw/zinc/32/82/35/823328235.db2.gz MWDIEIWQEYYHEI-VWPFQQQWSA-N 1 0 395.341 4.040 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNS(=O)(=O)c1ccc2ccccc2c1 ZINC000015361970 818317231 /nfs/dbraw/zinc/31/72/31/818317231.db2.gz CMMQEURQJSTYGU-UHFFFAOYSA-N 1 0 382.529 4.160 20 0 GIADRO Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C ZINC000122280623 823331955 /nfs/dbraw/zinc/33/19/55/823331955.db2.gz INZKBTAGIFYXJY-SJORKVTESA-N 1 0 395.931 4.012 20 0 GIADRO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000122256807 823328642 /nfs/dbraw/zinc/32/86/42/823328642.db2.gz KOPPSSKRXZHBCO-LIRRHRJNSA-N 1 0 395.471 4.117 20 0 GIADRO COc1ccc(NC(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)cc1F ZINC000057753913 823328667 /nfs/dbraw/zinc/32/86/67/823328667.db2.gz BKGHAKQTJLMHLK-QGZVFWFLSA-N 1 0 391.512 4.491 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(OC)c(F)c1)c1cccc(OC)c1 ZINC000057755513 823328984 /nfs/dbraw/zinc/32/89/84/823328984.db2.gz CHANNIKXPQXSNX-LJQANCHMSA-N 1 0 389.471 4.048 20 0 GIADRO COc1ccc(OCC[NH2+][C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)cc1 ZINC000015506878 818332147 /nfs/dbraw/zinc/33/21/47/818332147.db2.gz KLNWVSPFZYDAHL-QFIPXVFZSA-N 1 0 394.446 4.183 20 0 GIADRO COc1ccc(OCC[NH2+][C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)cc1 ZINC000015506873 818332328 /nfs/dbraw/zinc/33/23/28/818332328.db2.gz XFVCSPYLLZHUJH-HSZRJFAPSA-N 1 0 390.483 4.352 20 0 GIADRO CC[NH+](CC)CCN(CC(C)C)C(=O)Nc1ccc(F)cc1Br ZINC000057758326 823329179 /nfs/dbraw/zinc/32/91/79/823329179.db2.gz HLJLMTFMDQGJTD-UHFFFAOYSA-N 1 0 388.325 4.420 20 0 GIADRO CC[NH+](CC)CCOc1ccc(NC(=O)Nc2cnn([C@H](C)C3CC3)c2)cc1 ZINC000188924660 823329111 /nfs/dbraw/zinc/32/91/11/823329111.db2.gz QKPDLEQSBHDSMD-MRXNPFEDSA-N 1 0 385.512 4.219 20 0 GIADRO O=C(CSc1nc2ccccc2s1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000015564548 818338906 /nfs/dbraw/zinc/33/89/06/818338906.db2.gz LHFVURFEDUAKJQ-UHFFFAOYSA-N 1 0 397.569 4.169 20 0 GIADRO C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@H]2C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)o1 ZINC000409872636 823332087 /nfs/dbraw/zinc/33/20/87/823332087.db2.gz BMTPXSRFUBDRPL-MBPVOVBZSA-N 1 0 392.543 4.460 20 0 GIADRO Cc1ccc(OCc2ccc(C(=O)Nc3cc(C[NH+](C)C)ccn3)o2)c(C)c1 ZINC000176939230 823329620 /nfs/dbraw/zinc/32/96/20/823329620.db2.gz OBKWYJNSWZJGTI-UHFFFAOYSA-N 1 0 379.460 4.184 20 0 GIADRO COc1ccc(OCC[NH2+]Cc2c(C)nn(-c3ccc(F)cc3)c2Cl)cc1 ZINC000015581516 818342161 /nfs/dbraw/zinc/34/21/61/818342161.db2.gz FCCFUCYRCVAOAG-UHFFFAOYSA-N 1 0 389.858 4.150 20 0 GIADRO C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)o1 ZINC000409872641 823332204 /nfs/dbraw/zinc/33/22/04/823332204.db2.gz BMTPXSRFUBDRPL-UMSONDCASA-N 1 0 392.543 4.460 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C)c(OCc3cccnc3)c(C)c2)[C@H](C)C1 ZINC000122275553 823331264 /nfs/dbraw/zinc/33/12/64/823331264.db2.gz QADKETPTBUUIEN-DENIHFKCSA-N 1 0 395.547 4.080 20 0 GIADRO CCN(CCC[NH+](C)C)C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 ZINC000188952825 823333161 /nfs/dbraw/zinc/33/31/61/823333161.db2.gz IXQPLNJPYSRFKB-UHFFFAOYSA-N 1 0 393.940 4.068 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2cccc3ccc(=O)[nH]c32)CC1 ZINC000572402934 823333196 /nfs/dbraw/zinc/33/31/96/823333196.db2.gz MTYYOLBZHBZXKQ-KRWDZBQOSA-N 1 0 381.520 4.057 20 0 GIADRO C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)o1 ZINC000409892135 823337365 /nfs/dbraw/zinc/33/73/65/823337365.db2.gz QGAFRAQEJWEWOJ-FDPIWHGQSA-N 1 0 395.503 4.035 20 0 GIADRO C[C@@H]1C[N@@H+]([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CCC1(F)F ZINC000572411926 823334423 /nfs/dbraw/zinc/33/44/23/823334423.db2.gz KUAZLCATLOQQMC-CZUORRHYSA-N 1 0 390.396 4.174 20 0 GIADRO O=C([C@H]1CC[N@H+](Cc2ccc(-c3nc4ccccc4s3)o2)C1)N1CCCC1 ZINC000572409715 823334485 /nfs/dbraw/zinc/33/44/85/823334485.db2.gz ZNUIZCQMGGPMEB-HNNXBMFYSA-N 1 0 381.501 4.001 20 0 GIADRO COc1ccccc1[C@H](CNC(=S)Nc1ccc(F)cc1F)[NH+]1CCCC1 ZINC000016241294 818408888 /nfs/dbraw/zinc/40/88/88/818408888.db2.gz LHWSHXLUBZJTFF-SFHVURJKSA-N 1 0 391.487 4.097 20 0 GIADRO COc1ccccc1[C@H](CNC(=S)Nc1c(C)cccc1C)[NH+]1CCCC1 ZINC000016241304 818409002 /nfs/dbraw/zinc/40/90/02/818409002.db2.gz HMADVTBABKVKID-IBGZPJMESA-N 1 0 383.561 4.436 20 0 GIADRO COc1ccccc1[C@H](CNC(=S)Nc1cccc(Cl)c1)[NH+]1CCCC1 ZINC000016241322 818409750 /nfs/dbraw/zinc/40/97/50/818409750.db2.gz XWUWCCXWUUIWIN-SFHVURJKSA-N 1 0 389.952 4.472 20 0 GIADRO C[C@H](O)[C@@H](N[C@H]1CCc2c1c(Br)ccc2F)c1ccccc1F ZINC000572413719 823335048 /nfs/dbraw/zinc/33/50/48/823335048.db2.gz QGZZMPFBIYEOSW-MENVHETRSA-N 1 0 382.248 4.426 20 0 GIADRO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3nc(Cl)ccc3Cl)c2)CC1 ZINC000122303693 823335216 /nfs/dbraw/zinc/33/52/16/823335216.db2.gz KXTOXRQKJNMMHD-UHFFFAOYSA-N 1 0 393.318 4.171 20 0 GIADRO Cc1c(NC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)cccc1OCC(F)(F)F ZINC000122304972 823335236 /nfs/dbraw/zinc/33/52/36/823335236.db2.gz HIURJUPRRZDVRC-HNNXBMFYSA-N 1 0 387.446 4.036 20 0 GIADRO COc1ccc([C@H](CNC(=S)Nc2ccccc2OC)[NH+]2CCCCC2)cc1 ZINC000016318393 818423160 /nfs/dbraw/zinc/42/31/60/818423160.db2.gz NLUUFHZIUCBUNV-FQEVSTJZSA-N 1 0 399.560 4.217 20 0 GIADRO COc1ccc(OC)c(NC(=O)[C@H](C)[N@H+](C)Cc2ccc3ccccc3c2)c1 ZINC000016342940 818426770 /nfs/dbraw/zinc/42/67/70/818426770.db2.gz OHGPWVHWYWWGMN-INIZCTEOSA-N 1 0 378.472 4.316 20 0 GIADRO COc1cc(C[N@H+](C)C[C@@H](O)c2ccccc2)ccc1OCc1ccccc1 ZINC000016347729 818427706 /nfs/dbraw/zinc/42/77/06/818427706.db2.gz CJRXJFRHEQRXOA-JOCHJYFZSA-N 1 0 377.484 4.440 20 0 GIADRO C[N@@H+]1CCCC12CCN(C(=O)C(Cc1ccccc1)Cc1ccccc1)CC2 ZINC000409888801 823336340 /nfs/dbraw/zinc/33/63/40/823336340.db2.gz BTXRJYSJLZBUEO-UHFFFAOYSA-N 1 0 376.544 4.175 20 0 GIADRO C[C@H](NC(=O)c1ccccc1NC(=O)C[N@H+](C)C1CCCCC1)c1ccccc1 ZINC000016445579 818443783 /nfs/dbraw/zinc/44/37/83/818443783.db2.gz KKBWQJXGSCRURC-SFHVURJKSA-N 1 0 393.531 4.381 20 0 GIADRO CCOc1ccccc1NC(=O)[C@@H]([NH2+]CC1(COC)CCC1)c1ccccc1 ZINC000409899693 823339598 /nfs/dbraw/zinc/33/95/98/823339598.db2.gz OXOHMBUNNPUMJS-NRFANRHFSA-N 1 0 382.504 4.171 20 0 GIADRO CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc(Oc3ccc(C(C)=O)cc3)cc2)[C@@H](C)C1 ZINC000572441010 823339834 /nfs/dbraw/zinc/33/98/34/823339834.db2.gz VQWPHSFPOZBZJD-CALCHBBNSA-N 1 0 380.488 4.236 20 0 GIADRO CC(C)C(=O)Nc1ccc(NC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)cc1 ZINC000572443865 823340076 /nfs/dbraw/zinc/34/00/76/823340076.db2.gz KHIGBLLQLAHGOQ-HXUWFJFHSA-N 1 0 386.540 4.200 20 0 GIADRO CC[C@H](C(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)c1ccc(F)cc1 ZINC000122340289 823340841 /nfs/dbraw/zinc/34/08/41/823340841.db2.gz URSJSOHJIJJSKW-PZJWPPBQSA-N 1 0 396.506 4.424 20 0 GIADRO CCn1c(Cc2ccsc2)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000460288946 823341188 /nfs/dbraw/zinc/34/11/88/823341188.db2.gz LOOYFGNPNUAFJU-GOSISDBHSA-N 1 0 395.576 4.051 20 0 GIADRO Cc1ccc2c(C[N@@H+](C)[C@H](C)c3ccc(-n4cncn4)cc3)cc(=O)oc2c1C ZINC000017306048 818506770 /nfs/dbraw/zinc/50/67/70/818506770.db2.gz WTXYOFJCJRWBSA-QGZVFWFLSA-N 1 0 388.471 4.184 20 0 GIADRO Cc1cc2oc(=O)cc(C[N@@H+](C)[C@@H](C)c3ccc(-n4cncn4)cc3)c2cc1C ZINC000017306129 818506780 /nfs/dbraw/zinc/50/67/80/818506780.db2.gz SEJFVPBDOMPRHG-KRWDZBQOSA-N 1 0 388.471 4.184 20 0 GIADRO CCn1c(-c2cc(Cl)ccc2Cl)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000460288687 823341318 /nfs/dbraw/zinc/34/13/18/823341318.db2.gz KFFTWRPMPQGEJD-HIFRSBDPSA-N 1 0 394.350 4.335 20 0 GIADRO COc1ccccc1OCC[NH2+]Cc1c(C)nn(-c2ccc(F)cc2)c1Cl ZINC000017312018 818507746 /nfs/dbraw/zinc/50/77/46/818507746.db2.gz LHTVAVMRNZMCHI-UHFFFAOYSA-N 1 0 389.858 4.150 20 0 GIADRO COc1ccccc1OCC[NH2+]Cc1c(C)nn(Cc2ccccc2)c1Cl ZINC000017312055 818507908 /nfs/dbraw/zinc/50/79/08/818507908.db2.gz DDRXZYZWEGZYNK-UHFFFAOYSA-N 1 0 385.895 4.070 20 0 GIADRO Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1CNC1CC[NH+](C)CC1 ZINC000017313836 818508438 /nfs/dbraw/zinc/50/84/38/818508438.db2.gz GVOFVXVFPBIVBA-UHFFFAOYSA-N 1 0 386.849 4.037 20 0 GIADRO Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)[NH2+][C@@H](C)C(=O)N(C)C ZINC000189009883 823341780 /nfs/dbraw/zinc/34/17/80/823341780.db2.gz HFLGWMMXLKVQHT-PWSUYJOCSA-N 1 0 396.354 4.008 20 0 GIADRO C[NH+](C)CCCNC(=S)N[C@@H](c1cccs1)c1ccc2c(c1)CCCC2 ZINC000017458255 818516169 /nfs/dbraw/zinc/51/61/69/818516169.db2.gz BPPDXDBZZHBDOG-HXUWFJFHSA-N 1 0 387.618 4.132 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=S)Nc1ccc(F)cc1)c1cccc(OC)c1 ZINC000017516588 818517294 /nfs/dbraw/zinc/51/72/94/818517294.db2.gz UWJIWIDWRDMMNT-IBGZPJMESA-N 1 0 375.513 4.204 20 0 GIADRO FC(F)Oc1ccc(NC(=S)N2CCC[N@H+](Cc3ccccc3)CC2)cc1 ZINC000017517723 818517771 /nfs/dbraw/zinc/51/77/71/818517771.db2.gz BJOIZFPDBRIAAX-UHFFFAOYSA-N 1 0 391.487 4.193 20 0 GIADRO C[C@H](CCCOc1ccccc1C(N)=O)[NH2+][C@H](c1nccs1)c1ccccc1 ZINC000122348513 823341937 /nfs/dbraw/zinc/34/19/37/823341937.db2.gz BTYUPRUBNWLMTK-UZLBHIALSA-N 1 0 395.528 4.169 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000122399599 823349233 /nfs/dbraw/zinc/34/92/33/823349233.db2.gz ADTDXBXOXQKLMH-UHFFFAOYSA-N 1 0 394.563 4.262 20 0 GIADRO CC[C@H](CC1CCCCC1)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000176992240 823344636 /nfs/dbraw/zinc/34/46/36/823344636.db2.gz CMSBLDRLMSVPEH-HXUWFJFHSA-N 1 0 386.580 4.256 20 0 GIADRO CCC[C@@H](CC1CCCC1)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000176992262 823344711 /nfs/dbraw/zinc/34/47/11/823344711.db2.gz MYKCISIZUFBPOC-FQEVSTJZSA-N 1 0 386.580 4.256 20 0 GIADRO COc1ccc(OCc2ccccn2)c(CNC2CC[NH+](C3CCCC3)CC2)c1 ZINC000176992789 823344857 /nfs/dbraw/zinc/34/48/57/823344857.db2.gz GPZLZQVDPOLFFZ-UHFFFAOYSA-N 1 0 395.547 4.166 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H]3CCC(=O)c4ccccc43)cc2)C1 ZINC000572465401 823344942 /nfs/dbraw/zinc/34/49/42/823344942.db2.gz ZUXBPWFREZUEIZ-WZONZLPQSA-N 1 0 390.527 4.295 20 0 GIADRO COc1ccc([C@@H](CNC(=O)Nc2ccccc2OC)[NH+]2CCCCC2)cc1 ZINC000018177065 818554750 /nfs/dbraw/zinc/55/47/50/818554750.db2.gz SKDONTFHTVHSLX-HXUWFJFHSA-N 1 0 383.492 4.053 20 0 GIADRO C[C@H]1C[C@@H](NC(=O)Nc2ccccc2-n2cccn2)CC[N@@H+]1Cc1ccccc1 ZINC000177016270 823349853 /nfs/dbraw/zinc/34/98/53/823349853.db2.gz YNICJGSFOOYCRR-ICSRJNTNSA-N 1 0 389.503 4.047 20 0 GIADRO COc1ccc2oc([C@@H](C)[NH2+][C@@H](C)CS(=O)(=O)c3ccccc3)c(C)c2c1 ZINC000122378443 823346290 /nfs/dbraw/zinc/34/62/90/823346290.db2.gz UUZVMYABCRBBIL-GOEBONIOSA-N 1 0 387.501 4.263 20 0 GIADRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1ccc(Cl)nc1Cl ZINC000122379322 823346339 /nfs/dbraw/zinc/34/63/39/823346339.db2.gz DVLLDBRANBHMMP-HOCLYGCPSA-N 1 0 376.287 4.145 20 0 GIADRO O=C(OCc1nnc(-c2ccccc2)o1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000018381226 818567005 /nfs/dbraw/zinc/56/70/05/818567005.db2.gz FKHXRSXZJHJIIV-UHFFFAOYSA-N 1 0 377.444 4.080 20 0 GIADRO Cc1nc(C(C)C)sc1[C@H](C)[NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000189040298 823346793 /nfs/dbraw/zinc/34/67/93/823346793.db2.gz MIFNHWCVORSFRK-SUMWQHHRSA-N 1 0 375.513 4.166 20 0 GIADRO COc1cc(OC)c([C@@H](C)NCc2ccccc2OCC[NH+](C)C)cc1Cl ZINC000122385847 823347221 /nfs/dbraw/zinc/34/72/21/823347221.db2.gz MBNPUGYYQCXONU-OAHLLOKOSA-N 1 0 392.927 4.148 20 0 GIADRO COc1cccc([C@@H](CNC(=S)Nc2ccc(C)c(F)c2)[NH+]2CCCC2)c1 ZINC000018924975 818580940 /nfs/dbraw/zinc/58/09/40/818580940.db2.gz OOCWILVCXWYGOJ-HXUWFJFHSA-N 1 0 387.524 4.266 20 0 GIADRO Brc1cccc(-c2c[nH]c(C[N@@H+]3CCC[C@H]3[C@H]3CCCOC3)n2)c1 ZINC000572483874 823347463 /nfs/dbraw/zinc/34/74/63/823347463.db2.gz XYNGEYRMQAIROD-YJBOKZPZSA-N 1 0 390.325 4.230 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1ccccc1CSc1nc2ccccc2o1)C1CC1 ZINC000122389672 823347876 /nfs/dbraw/zinc/34/78/76/823347876.db2.gz IGNBOSKBCQAOTQ-IBGZPJMESA-N 1 0 395.528 4.190 20 0 GIADRO O=C(Cc1csc(-c2ccc(Cl)s2)n1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000572486786 823348354 /nfs/dbraw/zinc/34/83/54/823348354.db2.gz KFDOBUAFUWDVDI-GXTWGEPZSA-N 1 0 395.981 4.058 20 0 GIADRO COc1ccc([C@@H]2CCCCC[N@@H+]2C[C@H](O)COCc2cccs2)cc1 ZINC000057972909 823351574 /nfs/dbraw/zinc/35/15/74/823351574.db2.gz DZJVOBQKHAAACU-RXVVDRJESA-N 1 0 375.534 4.252 20 0 GIADRO CCOc1ccccc1Oc1ccccc1C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000572509638 823351729 /nfs/dbraw/zinc/35/17/29/823351729.db2.gz SELHGKDEPRNWPN-QHCPKHFHSA-N 1 0 380.488 4.045 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)[C@H](C)C1 ZINC000122423077 823351946 /nfs/dbraw/zinc/35/19/46/823351946.db2.gz JWSZHHWVXVCKRQ-VGOFRKELSA-N 1 0 390.531 4.136 20 0 GIADRO CCCOc1c(Cl)cc(C[NH2+]C2CCN(CC(F)F)CC2)cc1OCC ZINC000057978988 823352624 /nfs/dbraw/zinc/35/26/24/823352624.db2.gz HPGDGWFIECMCLI-UHFFFAOYSA-N 1 0 390.902 4.347 20 0 GIADRO CN(C)C(=O)Sc1cccc(C[N@@H+]2CC[C@@H](COCc3ccccc3)C2)c1 ZINC000177026250 823352640 /nfs/dbraw/zinc/35/26/40/823352640.db2.gz SDJBGBBPSKZBRB-HXUWFJFHSA-N 1 0 384.545 4.499 20 0 GIADRO FC(F)(F)C1CC([NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC000572518833 823352966 /nfs/dbraw/zinc/35/29/66/823352966.db2.gz NLOCHFYHGWOUCK-UHFFFAOYSA-N 1 0 386.421 4.424 20 0 GIADRO C[NH+](C)[C@H]1CCOc2c(NC(=O)C(C)(C)COCc3ccccc3)cccc21 ZINC000409956702 823353505 /nfs/dbraw/zinc/35/35/05/823353505.db2.gz OFMLEEHDHWBONJ-FQEVSTJZSA-N 1 0 382.504 4.253 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1ccc2ncsc2c1)c1cccc(OC)c1 ZINC000021070889 818651596 /nfs/dbraw/zinc/65/15/96/818651596.db2.gz ZWHQHEMYQYAROR-LJQANCHMSA-N 1 0 383.517 4.118 20 0 GIADRO CCc1ccc(C[NH+]2CCC3(C[C@H]3N(Cc3ccsc3)C(C)=O)CC2)cn1 ZINC000572526923 823354670 /nfs/dbraw/zinc/35/46/70/823354670.db2.gz NZTFMDAEFUJEHH-OAQYLSRUSA-N 1 0 383.561 4.109 20 0 GIADRO C[C@@H]([NH2+]Cc1cnn(Cc2ccc(F)cc2)c1)c1cccc(N2CCCC2=O)c1 ZINC000189086032 823354852 /nfs/dbraw/zinc/35/48/52/823354852.db2.gz OGTKJJBTRFAABG-QGZVFWFLSA-N 1 0 392.478 4.048 20 0 GIADRO CC(C)c1cc(NC(=O)N2CC[NH+](C3CCCC3)CC2)n(-c2ccccc2)n1 ZINC000572532609 823355514 /nfs/dbraw/zinc/35/55/14/823355514.db2.gz WBMXOQGNLMVWCB-UHFFFAOYSA-N 1 0 381.524 4.088 20 0 GIADRO CN(C(=O)C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000572504498 823350644 /nfs/dbraw/zinc/35/06/44/823350644.db2.gz TZTNIDKTAALQAX-CQOQZXRMSA-N 1 0 396.506 4.017 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)NC[C@H](OC)c2ccc(Cl)cc2)cc1)C1CC1 ZINC000460317563 823351410 /nfs/dbraw/zinc/35/14/10/823351410.db2.gz IREBQQZBRRRMNB-NRFANRHFSA-N 1 0 386.923 4.442 20 0 GIADRO Brc1cccc(C[N@H+](Cc2ccc(-n3ccnc3)nc2)C2CC2)c1 ZINC000177022018 823351460 /nfs/dbraw/zinc/35/14/60/823351460.db2.gz WPGCWCBPRSIPTR-UHFFFAOYSA-N 1 0 383.293 4.194 20 0 GIADRO COc1cc([C@H](C)[NH2+]Cc2cccc(NC(=O)C3CCC3)c2)cc(OC)c1OC ZINC000122449374 823356107 /nfs/dbraw/zinc/35/61/07/823356107.db2.gz HEGDKCOPWBOAEQ-HNNXBMFYSA-N 1 0 398.503 4.302 20 0 GIADRO COc1ccc(NC(=O)NCCC[NH+]2CCCCCC2)cc1OC1CCCC1 ZINC000058091644 823361594 /nfs/dbraw/zinc/36/15/94/823361594.db2.gz DEUKQNBQZARMDS-UHFFFAOYSA-N 1 0 389.540 4.404 20 0 GIADRO CC(C)c1c(C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cnn1-c1ccc(Cl)cc1 ZINC000177043584 823357758 /nfs/dbraw/zinc/35/77/58/823357758.db2.gz HTGMSAGQXQQLLL-ZBFHGGJFSA-N 1 0 386.927 4.004 20 0 GIADRO CCCOc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1OCC ZINC000021639772 818718667 /nfs/dbraw/zinc/71/86/67/818718667.db2.gz GIYJCCDDYCCGLP-UHFFFAOYSA-N 1 0 396.531 4.400 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccc(OC(F)F)c(OC)c2)C1)CC(F)(F)F ZINC000177043606 823357918 /nfs/dbraw/zinc/35/79/18/823357918.db2.gz OJJCPYZKOQQGJW-CQSZACIVSA-N 1 0 396.400 4.003 20 0 GIADRO CC(C)(C)[NH+]1CCC(NC(=O)Nc2cc(Br)c(F)cc2F)CC1 ZINC000189110214 823359098 /nfs/dbraw/zinc/35/90/98/823359098.db2.gz GDXSHKKWJBEDPP-UHFFFAOYSA-N 1 0 390.272 4.112 20 0 GIADRO O=C(Nc1cccc(C(F)(F)F)c1)[C@H]([NH2+]C[C@@H]1CCCO1)c1ccccc1 ZINC000021818356 818739200 /nfs/dbraw/zinc/73/92/00/818739200.db2.gz AYBKYFMXMBPLCZ-ZWKOTPCHSA-N 1 0 378.394 4.154 20 0 GIADRO C[C@H](CCCOc1ccccc1C(N)=O)[NH2+][C@@H](c1ccccc1)c1ccncc1 ZINC000122473341 823359499 /nfs/dbraw/zinc/35/94/99/823359499.db2.gz FFHRAYXCFOHHHZ-JPYJTQIMSA-N 1 0 389.499 4.107 20 0 GIADRO CCC(CC)N(CC)C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000460346067 823359694 /nfs/dbraw/zinc/35/96/94/823359694.db2.gz JIOUBXPJUKUJOF-KRWDZBQOSA-N 1 0 392.563 4.249 20 0 GIADRO Cc1ccc(CNC(=O)c2nnc(C[NH2+][C@@H]3CCCC[C@H]3C(C)C)s2)cc1 ZINC000460352530 823361467 /nfs/dbraw/zinc/36/14/67/823361467.db2.gz VVWGAQGRPLMTBX-ZWKOTPCHSA-N 1 0 386.565 4.081 20 0 GIADRO Cc1c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cnn1C1CCCCC1 ZINC000572554426 823360124 /nfs/dbraw/zinc/36/01/24/823360124.db2.gz WPZLLTRVRHQLCN-PGRDOPGGSA-N 1 0 380.536 4.090 20 0 GIADRO C[N@H+](CCCNC(=O)Nc1cccc(OCC(F)(F)F)c1)Cc1ccccc1 ZINC000058077037 823360257 /nfs/dbraw/zinc/36/02/57/823360257.db2.gz UUJVWTLEEUJOEO-UHFFFAOYSA-N 1 0 395.425 4.271 20 0 GIADRO C[N@H+](CCCNC(=O)Nc1cccc(OCC(F)(F)F)c1)C1CCCCC1 ZINC000058076323 823360358 /nfs/dbraw/zinc/36/03/58/823360358.db2.gz ACBSNCZNHDIIRP-UHFFFAOYSA-N 1 0 387.446 4.404 20 0 GIADRO Cc1ccc(C(=O)CCC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)s1 ZINC000021961702 818759704 /nfs/dbraw/zinc/75/97/04/818759704.db2.gz VZSFMFPHYYPYLS-UHFFFAOYSA-N 1 0 384.545 4.322 20 0 GIADRO COc1ccc(-c2nc(C[NH+]3CCC([C@@H]4CCCO4)CC3)cs2)cc1OC ZINC000189130028 823362028 /nfs/dbraw/zinc/36/20/28/823362028.db2.gz MSEBTAFVKPUNEN-SFHVURJKSA-N 1 0 388.533 4.218 20 0 GIADRO CCN(Cc1cnc(-c2ccncc2)s1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000572568382 823362760 /nfs/dbraw/zinc/36/27/60/823362760.db2.gz QGENGZZLHXMZTM-FQEVSTJZSA-N 1 0 378.545 4.302 20 0 GIADRO COc1ccc(/C=C/C(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)cc1 ZINC000058118683 823363095 /nfs/dbraw/zinc/36/30/95/823363095.db2.gz MCKNQGVUEZOBJK-JRMCHAMMSA-N 1 0 384.545 4.359 20 0 GIADRO COc1ccc(C[N@H+](C)CCC(=O)Nc2cc(Cl)ccc2Cl)c(OC)c1 ZINC000022198551 818781910 /nfs/dbraw/zinc/78/19/10/818781910.db2.gz POYCAGDVHVYXLL-UHFFFAOYSA-N 1 0 397.302 4.471 20 0 GIADRO CC1CC[NH+]([C@H](CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c2cccs2)CC1 ZINC000058118397 823363232 /nfs/dbraw/zinc/36/32/32/823363232.db2.gz WDEZQUHOPBRDPQ-MBNRZODZSA-N 1 0 399.516 4.259 20 0 GIADRO Nc1ccc(F)c(NC(=O)CC[NH+]2CCC(c3c[nH]c4cc(F)ccc43)CC2)c1 ZINC000177067818 823363504 /nfs/dbraw/zinc/36/35/04/823363504.db2.gz HJWOAZBVNOFKJZ-UHFFFAOYSA-N 1 0 398.457 4.237 20 0 GIADRO CN(C)c1ccc(NC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c(C(F)(F)F)c1 ZINC000058136106 823364273 /nfs/dbraw/zinc/36/42/73/823364273.db2.gz YPSJVLCMYJGJPU-SFHVURJKSA-N 1 0 394.441 4.196 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)Nc1nc2ccccc2s1)[NH+]1CCCC1 ZINC000022388121 818800436 /nfs/dbraw/zinc/80/04/36/818800436.db2.gz SIIMMICQJHHBAD-QGZVFWFLSA-N 1 0 396.516 4.264 20 0 GIADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000189145578 823364852 /nfs/dbraw/zinc/36/48/52/823364852.db2.gz KRIGORADVKQKDP-CYBMUJFWSA-N 1 0 391.309 4.010 20 0 GIADRO 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 823364898 /nfs/dbraw/zinc/36/48/98/823364898.db2.gz VJZFDVQRHQUHKB-DSLXNQLJSA-N 1 0 397.485 4.412 20 0 GIADRO Cc1cc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)ccc1N1CCCC1=O ZINC000022513409 818820125 /nfs/dbraw/zinc/82/01/25/818820125.db2.gz XKLDTFVVTUYXGE-UHFFFAOYSA-N 1 0 391.515 4.360 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cccc(OC[C@@H]2CCCO2)c1 ZINC000022610448 818833513 /nfs/dbraw/zinc/83/35/13/818833513.db2.gz ICCZDZYNOUAENI-QHCPKHFHSA-N 1 0 396.531 4.016 20 0 GIADRO S=c1[nH]c(-c2ccccc2)nn1CN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000058193941 823368285 /nfs/dbraw/zinc/36/82/85/823368285.db2.gz NYOHSWMZEZEQDS-UHFFFAOYSA-N 1 0 385.581 4.153 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(F)cc1Br)c1ccccc1 ZINC000022752340 818855760 /nfs/dbraw/zinc/85/57/60/818855760.db2.gz VJHPLERAOGQAED-SFHVURJKSA-N 1 0 393.300 4.401 20 0 GIADRO O=C(COc1cccc2ccccc21)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000022755072 818856482 /nfs/dbraw/zinc/85/64/82/818856482.db2.gz GPBPJRHWKCETJF-IBGZPJMESA-N 1 0 380.513 4.233 20 0 GIADRO CCC[NH2+]Cc1ccc(OCC(=O)Nc2ccc(F)c(Cl)c2)c(OC)c1 ZINC000022771543 818859030 /nfs/dbraw/zinc/85/90/30/818859030.db2.gz CEFRVLXUMVXRQO-UHFFFAOYSA-N 1 0 380.847 4.005 20 0 GIADRO CCCNC(=S)C(C(=O)c1ccc(OCC)cc1)[n+]1ccc(CCC)cc1 ZINC000022805252 818863030 /nfs/dbraw/zinc/86/30/30/818863030.db2.gz KNQMFIYVKCORSG-UHFFFAOYSA-O 1 0 385.553 4.264 20 0 GIADRO Cn1c2ccc(C(=O)NC[C@H]3CCC[N@@H+]3C3CCCCC3)cc2nc1C(F)F ZINC000410026222 823373682 /nfs/dbraw/zinc/37/36/82/823373682.db2.gz LZQIADXFWSMVFH-MRXNPFEDSA-N 1 0 390.478 4.038 20 0 GIADRO C[C@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C(F)(F)F)cc1 ZINC000410005979 823369591 /nfs/dbraw/zinc/36/95/91/823369591.db2.gz AMOWVEULHGOPKB-WMZOPIPTSA-N 1 0 390.449 4.447 20 0 GIADRO CCCC[N@H+](CC)Cc1cccc(CNC(=O)NCc2ccc3cc[nH]c3n2)c1 ZINC000460378965 823369814 /nfs/dbraw/zinc/36/98/14/823369814.db2.gz PIIYKTSHIPUUBS-UHFFFAOYSA-N 1 0 393.535 4.184 20 0 GIADRO Cc1c(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)cnn1Cc1ccccc1 ZINC000122549930 823370702 /nfs/dbraw/zinc/37/07/02/823370702.db2.gz JSHZJLWLJSHHLI-UHFFFAOYSA-N 1 0 394.563 4.013 20 0 GIADRO C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000572641260 823373421 /nfs/dbraw/zinc/37/34/21/823373421.db2.gz ZVHUWGIHCIXPQG-RDTXWAMCSA-N 1 0 382.470 4.121 20 0 GIADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=S)Nc2ccc(F)cc2)CC1 ZINC000023103290 818897850 /nfs/dbraw/zinc/89/78/50/818897850.db2.gz BXCNYGKHLMFFDZ-UHFFFAOYSA-N 1 0 392.931 4.430 20 0 GIADRO C[NH+]1CCN(c2ccccc2NC(=S)Nc2ccc(F)c(Cl)c2)CC1 ZINC000023108175 818898598 /nfs/dbraw/zinc/89/85/98/818898598.db2.gz RGTLMCZEEZEONR-UHFFFAOYSA-N 1 0 378.904 4.040 20 0 GIADRO COc1cc(Br)ccc1C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000189184886 823372078 /nfs/dbraw/zinc/37/20/78/823372078.db2.gz DMUKTKBWPAZARH-ZDUSSCGKSA-N 1 0 375.266 4.038 20 0 GIADRO CC[C@H]([NH2+]CCC(=O)N1CCc2ccccc2C1)c1nc(C(F)(F)F)cs1 ZINC000189187414 823372798 /nfs/dbraw/zinc/37/27/98/823372798.db2.gz ZZRVPXPHFWXHST-HNNXBMFYSA-N 1 0 397.466 4.178 20 0 GIADRO C[C@H]([NH2+]CCC(=O)N1CCc2ccccc2C1)c1nc(-c2ccccc2)cs1 ZINC000189198628 823374055 /nfs/dbraw/zinc/37/40/55/823374055.db2.gz FKNIIOQDWQOKCI-KRWDZBQOSA-N 1 0 391.540 4.436 20 0 GIADRO Cc1ccccc1[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[C@H](C)CO1 ZINC000460394865 823375220 /nfs/dbraw/zinc/37/52/20/823375220.db2.gz PQPABNLYXJCAJA-BKULYWANSA-N 1 0 392.543 4.196 20 0 GIADRO C[NH+](C)CCN(C(=O)CCc1ccc(Br)cc1F)c1ccccc1 ZINC000058296626 823375910 /nfs/dbraw/zinc/37/59/10/823375910.db2.gz MSJCDWYALYRVHF-UHFFFAOYSA-N 1 0 393.300 4.116 20 0 GIADRO CCCN(C(=O)Nc1cccc(C[NH+](C)C)c1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000410037571 823376743 /nfs/dbraw/zinc/37/67/43/823376743.db2.gz KTHPDJMAQKMPTG-SFHVURJKSA-N 1 0 396.535 4.409 20 0 GIADRO C/C=C/c1ccc(OC[C@H](O)C[N@H+](C)[C@@H](C)c2ccc(F)c(F)c2)c(OC)c1 ZINC000023674144 818971565 /nfs/dbraw/zinc/97/15/65/818971565.db2.gz CKEDNQDFLCZDDL-HLJKATFASA-N 1 0 391.458 4.439 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)c1cc2c(s1)CCCC2)[NH+]1CCCC1 ZINC000023794904 818985127 /nfs/dbraw/zinc/98/51/27/818985127.db2.gz IOYLOENEFXOICJ-GOSISDBHSA-N 1 0 384.545 4.202 20 0 GIADRO CN(C)C(=O)Sc1cccc(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)c1 ZINC000177126548 823377727 /nfs/dbraw/zinc/37/77/27/823377727.db2.gz QYQBTDKHEZDNNJ-LJQANCHMSA-N 1 0 392.565 4.010 20 0 GIADRO C[NH+](C)Cc1ccc(NC(=O)COc2ccc3oc4c(c3c2)CCCC4)cc1 ZINC000023898760 818992033 /nfs/dbraw/zinc/99/20/33/818992033.db2.gz ZUBCXADSATYCLI-UHFFFAOYSA-N 1 0 378.472 4.391 20 0 GIADRO COc1ccc2c(C[NH2+][C@H](C)c3ccc(Br)cc3)cc(=O)oc2c1 ZINC000023994776 819004384 /nfs/dbraw/zinc/00/43/84/819004384.db2.gz MSIZBMNVIJWNBT-GFCCVEGCSA-N 1 0 388.261 4.415 20 0 GIADRO CCn1c(C)cc(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)c1C ZINC000058369256 823383774 /nfs/dbraw/zinc/38/37/74/823383774.db2.gz DZSWANIEAFBQAB-UHFFFAOYSA-N 1 0 396.535 4.192 20 0 GIADRO CCOCc1ccccc1C[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000122626919 823383824 /nfs/dbraw/zinc/38/38/24/823383824.db2.gz AWXJRFDOCKRPOR-SFHVURJKSA-N 1 0 379.504 4.386 20 0 GIADRO CCCn1c(C)c(C(=O)NCc2ccc(C[NH+](C)C)cc2)c2cc(OC)ccc21 ZINC000024067774 819017925 /nfs/dbraw/zinc/01/79/25/819017925.db2.gz DBNVJYJZPFSVLX-UHFFFAOYSA-N 1 0 393.531 4.360 20 0 GIADRO COc1ccc([C@@H](C[NH2+]Cc2cnn(-c3ccccc3)c2)N2CCCCC2)cc1 ZINC000024081785 819020471 /nfs/dbraw/zinc/02/04/71/819020471.db2.gz IMSJXVRJVONPKO-XMMPIXPASA-N 1 0 390.531 4.198 20 0 GIADRO Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000024087007 819021613 /nfs/dbraw/zinc/02/16/13/819021613.db2.gz SWZODKIRELKZGE-UHFFFAOYSA-N 1 0 398.919 4.129 20 0 GIADRO COc1cc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)ccc1OCC(C)C ZINC000024115091 819026250 /nfs/dbraw/zinc/02/62/50/819026250.db2.gz VNHFNXFFFMHVCI-UHFFFAOYSA-N 1 0 396.531 4.256 20 0 GIADRO Cc1cc(Cl)ccc1O[C@H](C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000024114438 819026386 /nfs/dbraw/zinc/02/63/86/819026386.db2.gz HTDUMUMRCXKJCW-QGZVFWFLSA-N 1 0 386.923 4.328 20 0 GIADRO Cc1ccc2c(C[N@@H+](Cc3ccccc3)C[C@@H](O)c3ccco3)cc(=O)oc2c1 ZINC000177151648 823384029 /nfs/dbraw/zinc/38/40/29/823384029.db2.gz BSKPUWOHJWPZRY-OAQYLSRUSA-N 1 0 389.451 4.430 20 0 GIADRO Cn1cc(C(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)c2ccccc21 ZINC000024317103 819045077 /nfs/dbraw/zinc/04/50/77/819045077.db2.gz RVCXXDQTCOSZSE-UHFFFAOYSA-N 1 0 383.495 4.290 20 0 GIADRO CN(C)C(=O)c1ccc(C[NH2+]CC2(c3ccc(F)cc3Cl)CCCC2)[nH]1 ZINC000189260510 823382870 /nfs/dbraw/zinc/38/28/70/823382870.db2.gz DAAVPDHQWPTXQX-UHFFFAOYSA-N 1 0 377.891 4.111 20 0 GIADRO [NH3+]C[C@@H]1CN(C(=O)CCC(=O)c2ccc3ccccc3c2)C[C@H]1c1ccccc1 ZINC000410064742 823382961 /nfs/dbraw/zinc/38/29/61/823382961.db2.gz HPYMWTXCHVLCGP-PKTZIBPZSA-N 1 0 386.495 4.004 20 0 GIADRO CCSc1cccc(Br)c1NC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000572686665 823383191 /nfs/dbraw/zinc/38/31/91/823383191.db2.gz WIDNIASKRYGJPS-RYUDHWBXSA-N 1 0 386.359 4.165 20 0 GIADRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]Cc3ncccc3N(C)C)s2)cc1 ZINC000572686693 823383225 /nfs/dbraw/zinc/38/32/25/823383225.db2.gz YFVNITPGYHKPGK-CQSZACIVSA-N 1 0 382.533 4.439 20 0 GIADRO C[C@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)Oc1cccc(Cl)c1 ZINC000460429653 823386366 /nfs/dbraw/zinc/38/63/66/823386366.db2.gz NEXQWERVPLTZOT-QGZVFWFLSA-N 1 0 386.923 4.136 20 0 GIADRO C[C@H]1C[C@@H](CCNC(=O)NCC2CCC(F)(F)CC2)C[N@@H+]1Cc1ccccc1 ZINC000410085621 823387076 /nfs/dbraw/zinc/38/70/76/823387076.db2.gz IAPZZKSIJNYZKN-FXAWDEMLSA-N 1 0 393.522 4.412 20 0 GIADRO Cn1nccc1[C@H]1C[C@@H]([NH2+]Cc2ccc(Oc3ccc(F)cc3)cc2)CCO1 ZINC000572710707 823387072 /nfs/dbraw/zinc/38/70/72/823387072.db2.gz WWPMZACALKPLBH-PGRDOPGGSA-N 1 0 381.451 4.361 20 0 GIADRO COc1ccc(NC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)cc1OC ZINC000058413429 823387373 /nfs/dbraw/zinc/38/73/73/823387373.db2.gz LMRSBFZSLNOPDC-UHFFFAOYSA-N 1 0 397.519 4.402 20 0 GIADRO CCc1noc(-c2ccc(C)c(NC(=O)NC[C@@H](c3ccccc3)[NH+](C)C)c2)n1 ZINC000177162387 823387384 /nfs/dbraw/zinc/38/73/84/823387384.db2.gz RGBRVVRQTBCODV-IBGZPJMESA-N 1 0 393.491 4.032 20 0 GIADRO CCOc1ccc(-n2c(Cc3ccccc3)nnc2SC[C@@H](C)[NH+](C)C)cc1 ZINC000460433644 823387805 /nfs/dbraw/zinc/38/78/05/823387805.db2.gz DUMBXOWZRDLTDN-QGZVFWFLSA-N 1 0 396.560 4.299 20 0 GIADRO [NH3+][C@H]1CCC[C@H](CNC(=O)Cc2cccc(OCc3ccc(Cl)cc3)c2)C1 ZINC000572713966 823387845 /nfs/dbraw/zinc/38/78/45/823387845.db2.gz PDMYZXGEINCIIH-ICSRJNTNSA-N 1 0 386.923 4.095 20 0 GIADRO O[C@H](C[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1)c1cc2ccccc2s1 ZINC000189290047 823387907 /nfs/dbraw/zinc/38/79/07/823387907.db2.gz LLJBLHJWKDWGOW-LJQANCHMSA-N 1 0 381.476 4.108 20 0 GIADRO Cc1nc(CSc2ccccc2C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cs1 ZINC000177164177 823388143 /nfs/dbraw/zinc/38/81/43/823388143.db2.gz SCIDMIASCOHASZ-DZGCQCFKSA-N 1 0 387.574 4.099 20 0 GIADRO C[C@H]1C[C@@H](NC(=O)NCC2CCC(F)(F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000410102380 823392183 /nfs/dbraw/zinc/39/21/83/823392183.db2.gz BVLMOEKNVJTRBG-LPHOPBHVSA-N 1 0 379.495 4.164 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)c2cccnc2SCC2CCCCC2)CC[N@@H+]1C ZINC000122663937 823390204 /nfs/dbraw/zinc/39/02/04/823390204.db2.gz DTPMWDHSLWNLGB-AEFFLSMTSA-N 1 0 375.582 4.309 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)c2cccnc2SCC2CCCCC2)CC[N@@H+]1C ZINC000122664184 823390317 /nfs/dbraw/zinc/39/03/17/823390317.db2.gz DTPMWDHSLWNLGB-WMZOPIPTSA-N 1 0 375.582 4.309 20 0 GIADRO CC(C)(C)[N@@H+]1CCCN(C(=O)Nc2ccc(OC(F)F)c3ncccc23)CC1 ZINC000058430684 823390394 /nfs/dbraw/zinc/39/03/94/823390394.db2.gz IOEILTAODXBCGY-UHFFFAOYSA-N 1 0 392.450 4.174 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)N[C@H](CO)c2cccc(Cl)c2F)cc1)C(C)C ZINC000410098663 823390807 /nfs/dbraw/zinc/39/08/07/823390807.db2.gz GJDHCXVAZFKVLV-LJQANCHMSA-N 1 0 392.902 4.173 20 0 GIADRO O[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000189310439 823391764 /nfs/dbraw/zinc/39/17/64/823391764.db2.gz CZBAJHCNKPJWTG-ZWKOTPCHSA-N 1 0 390.877 4.216 20 0 GIADRO COc1cc(C[N@H+](CCc2ccccc2)Cc2cccnc2)cc2c1OCCO2 ZINC000572764209 823394482 /nfs/dbraw/zinc/39/44/82/823394482.db2.gz LXUVRYXZOZKQLY-UHFFFAOYSA-N 1 0 390.483 4.106 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)CC[N@@H+]1C ZINC000122686099 823394623 /nfs/dbraw/zinc/39/46/23/823394623.db2.gz WBZNFSKEPZQQPS-JSGCOSHPSA-N 1 0 399.482 4.189 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000177187342 823394581 /nfs/dbraw/zinc/39/45/81/823394581.db2.gz LSPZFJJPJYFPCD-PMACEKPBSA-N 1 0 398.576 4.178 20 0 GIADRO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)Cc1ccc(Cl)cc1 ZINC000189347495 823398560 /nfs/dbraw/zinc/39/85/60/823398560.db2.gz OSROVWCQSZXJFI-HNNXBMFYSA-N 1 0 378.925 4.073 20 0 GIADRO O=S(=O)(/C=C/c1ccc(Cl)cc1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000058473147 823396620 /nfs/dbraw/zinc/39/66/20/823396620.db2.gz AUEIZIKGMQCDSK-LFIBNONCSA-N 1 0 396.984 4.229 20 0 GIADRO COCCCCC[NH2+]Cc1cc(Br)cc(Br)c1OC ZINC000058475800 823397131 /nfs/dbraw/zinc/39/71/31/823397131.db2.gz FRCUSDQFUMDNRG-UHFFFAOYSA-N 1 0 395.135 4.127 20 0 GIADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)Nc1ncc(-c2ccc(Cl)cc2)s1 ZINC000572777038 823397209 /nfs/dbraw/zinc/39/72/09/823397209.db2.gz ZJZBWDQOCOTENX-KRWDZBQOSA-N 1 0 393.940 4.195 20 0 GIADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NCc1cc(Cl)cc(C(F)(F)F)c1 ZINC000189344646 823398168 /nfs/dbraw/zinc/39/81/68/823398168.db2.gz DBMCATQTHGJWQL-UHFFFAOYSA-N 1 0 385.817 4.131 20 0 GIADRO CCCCc1nnc(N2CCC[C@H]([NH+]3CCCC3)CC2)n1CCc1ccccc1 ZINC000460463424 823398352 /nfs/dbraw/zinc/39/83/52/823398352.db2.gz ZLYMPGTYWIJARQ-QFIPXVFZSA-N 1 0 395.595 4.318 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)CCOc2ccc(Cl)cc2Cl)cc1 ZINC000058492283 823399537 /nfs/dbraw/zinc/39/95/37/823399537.db2.gz CRCCIKVWWZFSQS-UHFFFAOYSA-N 1 0 397.302 4.341 20 0 GIADRO CC(C)c1cc(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)c2ccccc2n1 ZINC000058496945 823400453 /nfs/dbraw/zinc/40/04/53/823400453.db2.gz BQPIOCXFOLXADA-UHFFFAOYSA-N 1 0 388.515 4.148 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)c2cccc(-n3nccc3-c3ccccc3)c2)CC[N@@H+]1C ZINC000122726078 823401122 /nfs/dbraw/zinc/40/11/22/823401122.db2.gz CXMZCNJPIOQKPY-NQIIRXRSSA-N 1 0 388.515 4.094 20 0 GIADRO C[C@H](NC(=O)NC[C@H](Cc1ccccc1)[NH+](C)C)c1ccc(C(F)(F)F)cc1 ZINC000410145515 823401231 /nfs/dbraw/zinc/40/12/31/823401231.db2.gz MLGMNXPYFADDND-KXBFYZLASA-N 1 0 393.453 4.239 20 0 GIADRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)Nc3ccsc3Cl)cc2)C[C@H](C)O1 ZINC000189370847 823402475 /nfs/dbraw/zinc/40/24/75/823402475.db2.gz QJMLRECKMCEINS-OKILXGFUSA-N 1 0 393.940 4.332 20 0 GIADRO Cc1cccc2c1OCC[C@H]2[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000189372031 823402898 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CC[C@H]1CN(c2cc(C(F)F)nc3ccc(Cl)cc32)CC[N@@H+]1C[C@@H](C)O ZINC000572828903 823406712 /nfs/dbraw/zinc/40/67/12/823406712.db2.gz BNORBOAMHAPCFO-OCCSQVGLSA-N 1 0 383.870 4.107 20 0 GIADRO C[C@]1(C[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)OCCc2sccc21 ZINC000572829573 823406815 /nfs/dbraw/zinc/40/68/15/823406815.db2.gz MDKWRRZNPPUQLH-LJQANCHMSA-N 1 0 379.909 4.141 20 0 GIADRO COCCc1ccccc1NC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000189391004 823406903 /nfs/dbraw/zinc/40/69/03/823406903.db2.gz VSHCVAURNHBBCX-JOCHJYFZSA-N 1 0 381.520 4.143 20 0 GIADRO CC[C@@H](C)C(=O)Nc1cccc(C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000177237520 823406932 /nfs/dbraw/zinc/40/69/32/823406932.db2.gz XZVPMJZFHMNLMO-MRXNPFEDSA-N 1 0 389.540 4.160 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(NS(C)(=O)=O)cc1)c1ccc(Br)cc1 ZINC000177241750 823408038 /nfs/dbraw/zinc/40/80/38/823408038.db2.gz BENGUQGNHZZNDO-OLZOCXBDSA-N 1 0 397.338 4.232 20 0 GIADRO Clc1cccc(Cl)c1-c1nnc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)o1 ZINC000572838564 823408113 /nfs/dbraw/zinc/40/81/13/823408113.db2.gz CODNQKHVWNYADT-IUODEOHRSA-N 1 0 382.291 4.434 20 0 GIADRO C[C@H](O)C[C@@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1)c1ccccc1 ZINC000572841352 823408138 /nfs/dbraw/zinc/40/81/38/823408138.db2.gz RCSJKSQWFOXUKU-NKKJXINNSA-N 1 0 378.560 4.328 20 0 GIADRO COc1ccc([C@H](CNC(=O)Nc2ccsc2Cl)[NH+]2CCCC2)cc1 ZINC000189402969 823408931 /nfs/dbraw/zinc/40/89/31/823408931.db2.gz KLUJEYUGRHACLM-INIZCTEOSA-N 1 0 379.913 4.369 20 0 GIADRO O=C(Nc1ccc(F)cc1OC(F)F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000460503778 823410779 /nfs/dbraw/zinc/41/07/79/823410779.db2.gz MBOWMRCUBYWZCJ-UHFFFAOYSA-N 1 0 378.394 4.278 20 0 GIADRO COc1ccc2ccccc2c1CNC(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000410176344 823411294 /nfs/dbraw/zinc/41/12/94/823411294.db2.gz JUQHTBCLFQTVDW-UHFFFAOYSA-N 1 0 393.487 4.111 20 0 GIADRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)c1 ZINC000189415257 823411434 /nfs/dbraw/zinc/41/14/34/823411434.db2.gz VFMPMTYWEALSCO-ZBEGNZNMSA-N 1 0 395.286 4.164 20 0 GIADRO O=C(NCC1CCC(F)(F)CC1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000410177734 823411717 /nfs/dbraw/zinc/41/17/17/823411717.db2.gz GSJKAGAHZPWWOU-UHFFFAOYSA-N 1 0 393.522 4.162 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@@H](C)c2cc(C)sc2C)cc1 ZINC000189417273 823411793 /nfs/dbraw/zinc/41/17/93/823411793.db2.gz MMOOZLVIRCFCCG-HNNXBMFYSA-N 1 0 387.549 4.023 20 0 GIADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccn(-c2cccc(Cl)c2)n1 ZINC000177258307 823412076 /nfs/dbraw/zinc/41/20/76/823412076.db2.gz FAZPPULXSZKYJS-UHFFFAOYSA-N 1 0 386.927 4.053 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc(OCCF)c2)[C@@H]1c1cccs1 ZINC000122788714 823412453 /nfs/dbraw/zinc/41/24/53/823412453.db2.gz IOIOKYKIYXWVLM-HNAYVOBHSA-N 1 0 391.512 4.301 20 0 GIADRO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000058581326 823412527 /nfs/dbraw/zinc/41/25/27/823412527.db2.gz SNDQSHLZOJWDGW-RDJZCZTQSA-N 1 0 382.323 4.087 20 0 GIADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2cccc(OCCF)c2)C1 ZINC000122791559 823413135 /nfs/dbraw/zinc/41/31/35/823413135.db2.gz OXWDRPXEDMUOOY-ROUUACIJSA-N 1 0 377.504 4.153 20 0 GIADRO Cc1noc([C@@H]2CCC[N@H+](Cc3cc(Br)cc4cccnc43)C2)n1 ZINC000177262692 823413343 /nfs/dbraw/zinc/41/33/43/823413343.db2.gz FAGDXALWFJXZRZ-CQSZACIVSA-N 1 0 387.281 4.068 20 0 GIADRO O=C(Nc1ccc(F)cc1OC(F)F)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000460500999 823409907 /nfs/dbraw/zinc/40/99/07/823409907.db2.gz DPTMUYYVWRQDLS-OAHLLOKOSA-N 1 0 378.394 4.278 20 0 GIADRO C[C@@H]1CN(C)CC[C@H]1[N@H+](C)Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000572888995 823414488 /nfs/dbraw/zinc/41/44/88/823414488.db2.gz TXNNLMOBGSFMPU-BXUZGUMPSA-N 1 0 395.263 4.120 20 0 GIADRO COc1ccc(C[NH2+][C@@H](C)[C@H](OC2CCOCC2)c2ccccc2)cc1OC ZINC000122801956 823414700 /nfs/dbraw/zinc/41/47/00/823414700.db2.gz WKRKDAZAUNPNFJ-SBUREZEXSA-N 1 0 385.504 4.119 20 0 GIADRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@H](CN(C)C)c2ccc(F)cc2)c2ccccc21 ZINC000572890986 823414842 /nfs/dbraw/zinc/41/48/42/823414842.db2.gz QOHIEEWHIKYTRZ-YPAWHYETSA-N 1 0 384.495 4.200 20 0 GIADRO O=C(CCc1ncc(-c2ccccc2)o1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177268827 823415769 /nfs/dbraw/zinc/41/57/69/823415769.db2.gz OHBJBCZUAXROFD-UHFFFAOYSA-N 1 0 381.520 4.188 20 0 GIADRO FC(F)(F)CN1CCC(C[NH2+]Cc2cccc(OCc3ccccn3)c2)CC1 ZINC000189473063 823424691 /nfs/dbraw/zinc/42/46/91/823424691.db2.gz HQVQZDVJVRICCM-UHFFFAOYSA-N 1 0 393.453 4.025 20 0 GIADRO Cc1ccc(-c2nc(C[NH2+][C@H](C)CCCOc3ccccc3C(N)=O)co2)cc1 ZINC000122829067 823419677 /nfs/dbraw/zinc/41/96/77/823419677.db2.gz UPTKHJSOWKNTDU-QGZVFWFLSA-N 1 0 393.487 4.086 20 0 GIADRO C[C@@H]([NH2+][C@@H](CCO)C1CCOCC1)c1ccc(-c2c(F)cccc2F)cc1 ZINC000572924881 823420675 /nfs/dbraw/zinc/42/06/75/823420675.db2.gz KKGBXCFRUNSQCY-VFNWGFHPSA-N 1 0 375.459 4.460 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)N2CC[C@@H](c3ccccc3)[C@H]2C)CC1 ZINC000177283461 823420673 /nfs/dbraw/zinc/42/06/73/823420673.db2.gz WULHJMHNISIDDC-TZIWHRDSSA-N 1 0 392.547 4.238 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)Nc2ccc3c(c2)C(=O)CCC3)CC1 ZINC000177300644 823426094 /nfs/dbraw/zinc/42/60/94/823426094.db2.gz SZBOPEOTSNQICP-UHFFFAOYSA-N 1 0 391.515 4.300 20 0 GIADRO COc1ccc(CCC(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000058660406 823426162 /nfs/dbraw/zinc/42/61/62/823426162.db2.gz LKOSLYCZEAOSFG-UHFFFAOYSA-N 1 0 380.532 4.176 20 0 GIADRO O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000122868886 823426502 /nfs/dbraw/zinc/42/65/02/823426502.db2.gz HMRVWHUBUCPJRH-MRXNPFEDSA-N 1 0 378.451 4.067 20 0 GIADRO COc1cc(C[NH2+]CC2=CCN(C(=O)OC(C)(C)C)CC2)ccc1OC(C)C ZINC000189491520 823429489 /nfs/dbraw/zinc/42/94/89/823429489.db2.gz VWMRSZNAUDHLFW-UHFFFAOYSA-N 1 0 390.524 4.139 20 0 GIADRO CC(C)Oc1ccc(CNC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000410231498 823427679 /nfs/dbraw/zinc/42/76/79/823427679.db2.gz ZZKVXXHNQZYLSP-QFIPXVFZSA-N 1 0 381.520 4.110 20 0 GIADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)/C=C/c2nc3ccccc3s2)CC1 ZINC000122879733 823427755 /nfs/dbraw/zinc/42/77/55/823427755.db2.gz MDZUFIRVXQNGEI-CMDGGOBGSA-N 1 0 381.501 4.026 20 0 GIADRO COc1ccc(C[NH+](C)C)cc1NC(=O)N[C@]1(c2ccc(Cl)cc2)C[C@H]1C ZINC000572987249 823430427 /nfs/dbraw/zinc/43/04/27/823430427.db2.gz VVTLTKSPCCNFQT-SPLOXXLWSA-N 1 0 387.911 4.467 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+][C@H](c2cccc(OC(F)(F)F)c2)C2CC2)[C@H]1n1cccn1 ZINC000572990890 823430676 /nfs/dbraw/zinc/43/06/76/823430676.db2.gz JVKZJEYKGGSDLC-ZSYWTGECSA-N 1 0 395.425 4.241 20 0 GIADRO CN(C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000460557038 823431880 /nfs/dbraw/zinc/43/18/80/823431880.db2.gz UQMXUPWOFIMFCZ-MHORFTMASA-N 1 0 383.458 4.194 20 0 GIADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)NCc2cccc(C)c2)CC1 ZINC000410247672 823433282 /nfs/dbraw/zinc/43/32/82/823433282.db2.gz UUGICZFMNJLZRJ-UHFFFAOYSA-N 1 0 386.927 4.112 20 0 GIADRO COC(=O)[C@H](NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)c1ccc(F)cc1 ZINC000573012155 823433372 /nfs/dbraw/zinc/43/33/72/823433372.db2.gz BNKKDARXWVEZEM-HTAPYJJXSA-N 1 0 384.495 4.204 20 0 GIADRO O=S1(=O)CCC[C@@H](C[NH2+]Cc2c(Cl)cccc2Oc2ccccc2)C1 ZINC000573011666 823433412 /nfs/dbraw/zinc/43/34/12/823433412.db2.gz HYBCRQPGQAXRQZ-HNNXBMFYSA-N 1 0 379.909 4.047 20 0 GIADRO CCc1ccc([C@H](C)NC(=O)C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 ZINC000024665501 819861761 /nfs/dbraw/zinc/86/17/61/819861761.db2.gz FIGWVVMBTLPPQB-FXAWDEMLSA-N 1 0 391.515 4.447 20 0 GIADRO CC(=O)c1c(C)[nH]c(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1C(C)C ZINC000122916335 823433660 /nfs/dbraw/zinc/43/36/60/823433660.db2.gz QUQYLFIMRBTKNJ-UHFFFAOYSA-N 1 0 381.520 4.175 20 0 GIADRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC000024679874 819864154 /nfs/dbraw/zinc/86/41/54/819864154.db2.gz ZJEHHCFYIUKQTN-LJQANCHMSA-N 1 0 386.430 4.027 20 0 GIADRO CC(C)C[NH+]1CCN(C(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)CC1 ZINC000177325502 823434065 /nfs/dbraw/zinc/43/40/65/823434065.db2.gz UYXDYTSHPPUADQ-UHFFFAOYSA-N 1 0 386.540 4.011 20 0 GIADRO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000024731637 819869516 /nfs/dbraw/zinc/86/95/16/819869516.db2.gz CWOKYMYPSACNSE-AWEZNQCLSA-N 1 0 376.382 4.359 20 0 GIADRO C[N@H+](CCOc1ccc(F)cc1)CCC(=O)Nc1c(Cl)cccc1Cl ZINC000024898506 819891136 /nfs/dbraw/zinc/89/11/36/819891136.db2.gz CDNIXVWHWCHNPK-UHFFFAOYSA-N 1 0 385.266 4.472 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)c1 ZINC000024925609 819896211 /nfs/dbraw/zinc/89/62/11/819896211.db2.gz NOCDDCKCXMLWJV-CQSZACIVSA-N 1 0 383.517 4.213 20 0 GIADRO CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C[NH+](CC)CC)c2)cc1 ZINC000024927615 819896344 /nfs/dbraw/zinc/89/63/44/819896344.db2.gz DIGCNWQNHGRHGL-XSFVSMFZSA-N 1 0 377.488 4.473 20 0 GIADRO Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000177332033 823436540 /nfs/dbraw/zinc/43/65/40/823436540.db2.gz ACXRVLPGZVUSPO-UHFFFAOYSA-N 1 0 382.895 4.456 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1cnn(C(C)C)c1C1CC1)Cc1ccccc1 ZINC000122965363 823440838 /nfs/dbraw/zinc/44/08/38/823440838.db2.gz CWODHJRJWLXLAZ-FQEVSTJZSA-N 1 0 382.552 4.024 20 0 GIADRO C[N@H+](CCCOc1ccc(Cl)cc1)C1CCN(CCC(F)(F)F)CC1 ZINC000573043814 823438911 /nfs/dbraw/zinc/43/89/11/823438911.db2.gz SXHYRVJNDXACCK-UHFFFAOYSA-N 1 0 378.866 4.458 20 0 GIADRO C[C@@H]1[C@H]([NH2+]Cc2csc(-c3ccccn3)n2)CCCN1C(=O)OC(C)(C)C ZINC000189534148 823438977 /nfs/dbraw/zinc/43/89/77/823438977.db2.gz QMXXBVAKZDGGGS-GDBMZVCRSA-N 1 0 388.537 4.083 20 0 GIADRO c1ccc(CC[NH+]2CCN(c3nc(-c4ccncc4)nc4ccccc43)CC2)cc1 ZINC000025165518 819937731 /nfs/dbraw/zinc/93/77/31/819937731.db2.gz VRXMWHMQHKWJDF-UHFFFAOYSA-N 1 0 395.510 4.057 20 0 GIADRO CC[N@@H+](Cc1ccc(OC)c(OC)c1)C[C@H](O)COc1cccc2ccccc21 ZINC000025234620 819947901 /nfs/dbraw/zinc/94/79/01/819947901.db2.gz OSSBGLXJSFEGHA-FQEVSTJZSA-N 1 0 395.499 4.119 20 0 GIADRO Cc1ccnc(Oc2ccc(NC(=O)c3cccc(C[NH+]4CCCC4)c3)cc2)n1 ZINC000177344762 823440751 /nfs/dbraw/zinc/44/07/51/823440751.db2.gz HQIXQLPELDLMPR-UHFFFAOYSA-N 1 0 388.471 4.425 20 0 GIADRO COc1cc(C[NH2+]C[C@H]2COc3ccccc3O2)ccc1OCc1cccs1 ZINC000025261918 819952114 /nfs/dbraw/zinc/95/21/14/819952114.db2.gz UNCQRZHPSQDWFB-KRWDZBQOSA-N 1 0 397.496 4.265 20 0 GIADRO CC(C)[C@@H](C[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1)N1CCOCC1 ZINC000025312596 819961091 /nfs/dbraw/zinc/96/10/91/819961091.db2.gz FENQOMMDUMJZGO-GOSISDBHSA-N 1 0 385.533 4.003 20 0 GIADRO Cc1ccc(-c2cnc(CCC(=O)NC[C@@H](c3ccsc3)[NH+](C)C)o2)cc1 ZINC000025331707 819964734 /nfs/dbraw/zinc/96/47/34/819964734.db2.gz BCGFQMMGZHEDTC-SFHVURJKSA-N 1 0 383.517 4.063 20 0 GIADRO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+]([C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)C1 ZINC000573057771 823441903 /nfs/dbraw/zinc/44/19/03/823441903.db2.gz WRZTURVRFXZIPO-JTSKRJEESA-N 1 0 385.508 4.326 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Nc1cc(-c2cccc(F)c2)on1 ZINC000573057988 823441916 /nfs/dbraw/zinc/44/19/16/823441916.db2.gz KAWBQHVWDBHQBW-UHFFFAOYSA-N 1 0 396.466 4.018 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H](C)Oc1cccc(Br)c1 ZINC000177349328 823442152 /nfs/dbraw/zinc/44/21/52/823442152.db2.gz JORZTOREUOYOQH-AWEZNQCLSA-N 1 0 391.309 4.225 20 0 GIADRO Cc1cc(C)n(Cc2cccc(C(=O)Nc3cc(C[NH+](C)C)ccc3C)c2)n1 ZINC000177349208 823442213 /nfs/dbraw/zinc/44/22/13/823442213.db2.gz UBNOJKYFTUKIBQ-UHFFFAOYSA-N 1 0 376.504 4.171 20 0 GIADRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](Cc2nnc(C3CC3)s2)[C@@H]2CCCC[C@@H]12 ZINC000573059388 823442253 /nfs/dbraw/zinc/44/22/53/823442253.db2.gz DCVBNRXSIFCXIT-GCDKYVQMSA-N 1 0 390.597 4.099 20 0 GIADRO O=C(CCc1cccc(OC2CCCC2)c1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000410279406 823446380 /nfs/dbraw/zinc/44/63/80/823446380.db2.gz OWOFWYQYSNHKCK-QFIPXVFZSA-N 1 0 396.531 4.487 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Cc1csc(-c2ccccc2Cl)n1)c1ccccc1 ZINC000025421236 819977706 /nfs/dbraw/zinc/97/77/06/819977706.db2.gz UQOZSHVRCZMZLZ-LJQANCHMSA-N 1 0 399.947 4.425 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1cc2ccc(F)cc2nc1C)c1ccccc1 ZINC000025514778 819993564 /nfs/dbraw/zinc/99/35/64/819993564.db2.gz BHJZREQMMCQZMQ-QFIPXVFZSA-N 1 0 379.479 4.495 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1cnn(Cc2ccccc2Cl)c1 ZINC000177362404 823445183 /nfs/dbraw/zinc/44/51/83/823445183.db2.gz LAYSAIRVBOPFIY-UHFFFAOYSA-N 1 0 382.895 4.207 20 0 GIADRO O[C@@H](COc1ccccc1F)C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000025697812 820015398 /nfs/dbraw/zinc/01/53/98/820015398.db2.gz YMOGUQMXRYWFJH-JLTOFOAXSA-N 1 0 389.517 4.336 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc(Cl)c2)cc1OC ZINC000058761216 823445947 /nfs/dbraw/zinc/44/59/47/823445947.db2.gz LTTCNPQYJXVDTF-KGLIPLIRSA-N 1 0 376.884 4.425 20 0 GIADRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)c3cccc4ccccc43)cc2)C[C@H](C)O1 ZINC000058760335 823445985 /nfs/dbraw/zinc/44/59/85/823445985.db2.gz PDEILKJHIIIRBC-OALUTQOASA-N 1 0 388.511 4.379 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)/C=C/c1ccc2ccc(Cl)cc2n1)c1ccsc1 ZINC000025816272 820028603 /nfs/dbraw/zinc/02/86/03/820028603.db2.gz XGNSBBQMGVVXQZ-IHHMQQGQSA-N 1 0 385.920 4.382 20 0 GIADRO CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000122965455 823440935 /nfs/dbraw/zinc/44/09/35/823440935.db2.gz JQNAFJHPKAUONI-RTWAWAEBSA-N 1 0 397.519 4.196 20 0 GIADRO CC(C)[C@@H](CNC(=O)c1cc(F)c(F)cc1Cl)[N@@H+]1CCc2ccccc2C1 ZINC000025917245 820038683 /nfs/dbraw/zinc/03/86/83/820038683.db2.gz YMNAIDYUICCKJH-HXUWFJFHSA-N 1 0 392.877 4.431 20 0 GIADRO Cc1cc(C)n(-c2ccc(C[NH+]3CCC(C(=O)Nc4ccccc4)CC3)cc2)n1 ZINC000025927644 820041125 /nfs/dbraw/zinc/04/11/25/820041125.db2.gz YJUOVWRDFZWQIO-UHFFFAOYSA-N 1 0 388.515 4.340 20 0 GIADRO Cc1cc2occ(CC(=O)NC[C@@H](C)[N@@H+]3CCc4ccccc4C3)c2cc1C ZINC000025942613 820042475 /nfs/dbraw/zinc/04/24/75/820042475.db2.gz LYDRORFJOQQAQS-GOSISDBHSA-N 1 0 376.500 4.155 20 0 GIADRO C[N@H+](Cc1ccccc1NS(=O)(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000026094013 820056702 /nfs/dbraw/zinc/05/67/02/820056702.db2.gz BCHAFXGFYJYWGC-UHFFFAOYSA-N 1 0 376.497 4.391 20 0 GIADRO Cc1oc(-c2cccs2)nc1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000026213835 820069577 /nfs/dbraw/zinc/06/95/77/820069577.db2.gz YZMYNCLUYFIRKO-UHFFFAOYSA-N 1 0 395.528 4.166 20 0 GIADRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000410288359 823450290 /nfs/dbraw/zinc/45/02/90/823450290.db2.gz MVWFPXLKIGBDRM-QNWVGRARSA-N 1 0 383.580 4.352 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1ccccc1C(F)(F)F)Cc1ccccc1 ZINC000058794759 823453523 /nfs/dbraw/zinc/45/35/23/823453523.db2.gz XWMUVRZWRYRXIZ-KRWDZBQOSA-N 1 0 378.438 4.388 20 0 GIADRO COc1ccccc1-c1nc(C(=O)NCC2([NH+](C)C)CCCCCC2)cs1 ZINC000058783001 823451001 /nfs/dbraw/zinc/45/10/01/823451001.db2.gz SPKZLXZVUDENKV-UHFFFAOYSA-N 1 0 387.549 4.203 20 0 GIADRO COc1ccc([C@@H](CNC(=O)C2CCC(F)(F)CC2)[NH+]2CCCCC2)cc1 ZINC000123034668 823451061 /nfs/dbraw/zinc/45/10/61/823451061.db2.gz AAUHXFMALGWWAB-LJQANCHMSA-N 1 0 380.479 4.164 20 0 GIADRO Cc1cc(C)n(CCC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(C)o2)n1 ZINC000026304864 820080357 /nfs/dbraw/zinc/08/03/57/820080357.db2.gz HDTAVZCNZFHYKE-UHFFFAOYSA-N 1 0 389.503 4.434 20 0 GIADRO Cn1ccnc1COc1ccc(C[N@@H+]2CCC[C@@H]2CC(=O)c2cccs2)cc1 ZINC000177394368 823452541 /nfs/dbraw/zinc/45/25/41/823452541.db2.gz MOAQAFFOCFWCBY-GOSISDBHSA-N 1 0 395.528 4.298 20 0 GIADRO CC[NH2+]Cc1cccc(NC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000123054428 823454197 /nfs/dbraw/zinc/45/41/97/823454197.db2.gz HKFJPXMZQAVVLH-UHFFFAOYSA-N 1 0 398.894 4.461 20 0 GIADRO Cc1ccccc1[C@H](OC[C@@H](O)C[N@@H+]1CCC(F)(F)[C@@H](C)C1)c1ccccc1 ZINC000573142664 823454462 /nfs/dbraw/zinc/45/44/62/823454462.db2.gz FIUMTYRJOIWREK-RCZSKKKRSA-N 1 0 389.486 4.439 20 0 GIADRO O=C(CCSc1nc2ccccc2s1)NC1CC[NH+](C2CCCC2)CC1 ZINC000177406515 823454893 /nfs/dbraw/zinc/45/48/93/823454893.db2.gz GVRBNGOHMDOIHO-UHFFFAOYSA-N 1 0 389.590 4.302 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2ncsc2C(F)(F)F)CC1 ZINC000573147796 823455590 /nfs/dbraw/zinc/45/55/90/823455590.db2.gz NUPDWNCODRQKTL-LBPRGKRZSA-N 1 0 383.439 4.117 20 0 GIADRO O[C@]1(C[NH2+]Cc2cccc(OCC(F)(F)F)c2)CCC[C@@H](C(F)(F)F)C1 ZINC000189600093 823455589 /nfs/dbraw/zinc/45/55/89/823455589.db2.gz BEOAPUABLYMKMC-UKRRQHHQSA-N 1 0 385.348 4.201 20 0 GIADRO CCOc1cc(C[NH2+]C[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)ccc1OC(F)F ZINC000189617134 823459380 /nfs/dbraw/zinc/45/93/80/823459380.db2.gz LPHALHUNDCBYPP-CXAGYDPISA-N 1 0 397.384 4.260 20 0 GIADRO COC(=O)[C@H](C)[C@H]([NH2+]Cc1ccc(OCc2ccccn2)cc1)c1ccccc1 ZINC000177412085 823455849 /nfs/dbraw/zinc/45/58/49/823455849.db2.gz XGEHCGSCKRKJPL-JPYJTQIMSA-N 1 0 390.483 4.301 20 0 GIADRO COC(=O)[C@@H](C)[C@@H]([NH2+]Cc1ccc(OCc2ccccn2)cc1)c1ccccc1 ZINC000177412101 823456150 /nfs/dbraw/zinc/45/61/50/823456150.db2.gz XGEHCGSCKRKJPL-FDDCHVKYSA-N 1 0 390.483 4.301 20 0 GIADRO COC(=O)[C@H](C)[C@H]([NH2+]Cc1cc(=O)oc2cc(C)c(C)cc12)c1ccccc1 ZINC000177412606 823456371 /nfs/dbraw/zinc/45/63/71/823456371.db2.gz YNBRJIAJDRBVIK-ZHRRBRCNSA-N 1 0 379.456 4.050 20 0 GIADRO COc1ccc(C2(C(=O)NC3CC[NH+](C4CCCC4)CC3)CCCCC2)cc1 ZINC000177414285 823456871 /nfs/dbraw/zinc/45/68/71/823456871.db2.gz UYVYEETVSRVLNE-UHFFFAOYSA-N 1 0 384.564 4.420 20 0 GIADRO Cc1ccnc(-c2ccc(NC(=O)N[C@H]3CC[N@@H+](C)[C@@H]3c3ccccc3)cc2)n1 ZINC000189604930 823456954 /nfs/dbraw/zinc/45/69/54/823456954.db2.gz MZPLBECEQIOTRF-LEWJYISDSA-N 1 0 387.487 4.019 20 0 GIADRO COc1cc(Br)ccc1C[NH2+]C[C@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000189610539 823457637 /nfs/dbraw/zinc/45/76/37/823457637.db2.gz AHFNLQXDKLEJAU-DOMZBBRYSA-N 1 0 396.247 4.031 20 0 GIADRO COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+][C@H](C)C(=O)Nc2cc(C)no2)cc1 ZINC000123076754 823458190 /nfs/dbraw/zinc/45/81/90/823458190.db2.gz APXAIKHKINQZGQ-QRWLVFNGSA-N 1 0 397.450 4.031 20 0 GIADRO CCC(CC)Nc1cc[nH+]cc1NC(=O)Cc1nc(-c2ccsc2)oc1C ZINC000573168187 823458590 /nfs/dbraw/zinc/45/85/90/823458590.db2.gz LFDXHSGMAGPDRH-UHFFFAOYSA-N 1 0 384.505 4.310 20 0 GIADRO COC(=O)c1cc(C[NH2+][C@@H](Cc2ccc(F)cc2)c2ccc(OC)cc2)cn1C ZINC000573166933 823458657 /nfs/dbraw/zinc/45/86/57/823458657.db2.gz NBXPWEVNEHGLOA-NRFANRHFSA-N 1 0 396.462 4.033 20 0 GIADRO C[C@H](Sc1cc(F)ccc1F)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000026996889 820176965 /nfs/dbraw/zinc/17/69/65/820176965.db2.gz MMVGEDLHCXVEBS-HNNXBMFYSA-N 1 0 390.499 4.226 20 0 GIADRO COc1ccc([C@@H](O)C[NH2+]Cc2c(C)nn(Cc3ccc(Cl)cc3)c2C)cc1 ZINC000123082995 823459149 /nfs/dbraw/zinc/45/91/49/823459149.db2.gz DRLYTTFMHOYUCG-QFIPXVFZSA-N 1 0 399.922 4.033 20 0 GIADRO Cc1cc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c(C)n1CC(F)(F)F ZINC000027064365 820187630 /nfs/dbraw/zinc/18/76/30/820187630.db2.gz WPFIRSHHPDQOIM-UHFFFAOYSA-N 1 0 393.453 4.062 20 0 GIADRO CCOc1cc(C[NH2+]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)cc(Cl)c1OC ZINC000189620749 823460304 /nfs/dbraw/zinc/46/03/04/823460304.db2.gz XJMRCSXCXQDLPY-GUYCJALGSA-N 1 0 395.849 4.321 20 0 GIADRO COc1ccc2cc(C(=O)NCc3ccc(C[NH+]4CCCC4)cc3)c(C)nc2c1 ZINC000027140264 820200268 /nfs/dbraw/zinc/20/02/68/820200268.db2.gz DWGYXCWQCLXRJP-UHFFFAOYSA-N 1 0 389.499 4.078 20 0 GIADRO O=C(CCc1nc(-c2cccs2)no1)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000027140951 820200642 /nfs/dbraw/zinc/20/06/42/820200642.db2.gz VOJLAVVGIBEFIE-UHFFFAOYSA-N 1 0 396.516 4.355 20 0 GIADRO CC[C@H](NC(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1cccs1 ZINC000177435218 823461252 /nfs/dbraw/zinc/46/12/52/823461252.db2.gz OJRJKZACKSQIEL-SCTDSRPQSA-N 1 0 393.597 4.120 20 0 GIADRO COc1ccc(C[NH2+]C[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)cc1Br ZINC000189624015 823461548 /nfs/dbraw/zinc/46/15/48/823461548.db2.gz MNMYVJFWENQFNQ-IUODEOHRSA-N 1 0 396.247 4.031 20 0 GIADRO O=C(NC[C@H]1CCCO[C@H]1c1ccccc1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177435489 823461638 /nfs/dbraw/zinc/46/16/38/823461638.db2.gz JJWUOHDJORBFLX-OFNKIYASSA-N 1 0 399.579 4.251 20 0 GIADRO Clc1ccc(OCc2cccnc2)c(C[NH2+]C[C@@H]2Cc3ccccc3O2)c1 ZINC000027220280 820211511 /nfs/dbraw/zinc/21/15/11/820211511.db2.gz VMXKXIPUYVRBSG-FQEVSTJZSA-N 1 0 380.875 4.407 20 0 GIADRO CCCCNC(=S)C(C(=O)c1ccc(Cl)s1)[n+]1ccc(N(C)C)cc1 ZINC000027327287 820224688 /nfs/dbraw/zinc/22/46/88/820224688.db2.gz WANXOSCUCLPCOV-UHFFFAOYSA-O 1 0 396.989 4.084 20 0 GIADRO CC(C)(C)OC(=O)Nc1cccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000027334990 820226390 /nfs/dbraw/zinc/22/63/90/820226390.db2.gz PHEZQCKNGDWQDY-SFHVURJKSA-N 1 0 399.491 4.194 20 0 GIADRO COc1cccc([C@H](CNC(=O)c2ccc(CSC)cc2)[NH+]2CCCC2)c1 ZINC000027340699 820227233 /nfs/dbraw/zinc/22/72/33/820227233.db2.gz CQMMAFHRDDSQKC-NRFANRHFSA-N 1 0 384.545 4.125 20 0 GIADRO COc1cccc([C@H](CNC(=O)c2oc3c(cccc3F)c2C)[NH+]2CCCC2)c1 ZINC000027341214 820227896 /nfs/dbraw/zinc/22/78/96/820227896.db2.gz LKYSBVCQEOSYGO-FQEVSTJZSA-N 1 0 396.462 4.456 20 0 GIADRO COc1cccc([C@@H](CNC(=O)CCc2ccc(Cl)cc2)[NH+]2CCCC2)c1 ZINC000027342607 820227976 /nfs/dbraw/zinc/22/79/76/820227976.db2.gz KHCZNVZZCDIGQB-OAQYLSRUSA-N 1 0 386.923 4.235 20 0 GIADRO C[NH+](C)C1(CNC(=O)CCc2ncc(-c3ccccc3Cl)o2)CCCCC1 ZINC000027391760 820238259 /nfs/dbraw/zinc/23/82/59/820238259.db2.gz QSFCQJUEMBYZNV-UHFFFAOYSA-N 1 0 389.927 4.308 20 0 GIADRO C[C@H](C1CC1)n1cc(NC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)cn1 ZINC000189633982 823463499 /nfs/dbraw/zinc/46/34/99/823463499.db2.gz DQUJQRMISHFMAR-DLBZAZTESA-N 1 0 381.524 4.201 20 0 GIADRO CSCCCNC(=S)C(C(=O)c1ccc(Cl)cc1)[n+]1ccc(C)cc1 ZINC000027481747 820250422 /nfs/dbraw/zinc/25/04/22/820250422.db2.gz YDXZRVTYFRVPON-UHFFFAOYSA-O 1 0 393.985 4.217 20 0 GIADRO CC[C@H]1CCCCN1C(=O)[C@@H](C)[NH2+]CC1(c2ccccc2Cl)CCOCC1 ZINC000177447551 823464212 /nfs/dbraw/zinc/46/42/12/823464212.db2.gz HJEZSRNETXQKTP-MSOLQXFVSA-N 1 0 392.971 4.157 20 0 GIADRO Cc1cc(C)n(-c2ccc(C(=O)N3CCC(C[NH+]4CCCCCC4)CC3)cc2)n1 ZINC000058879628 823465455 /nfs/dbraw/zinc/46/54/55/823465455.db2.gz XEEGWNRWHHRUNZ-UHFFFAOYSA-N 1 0 394.563 4.217 20 0 GIADRO O=C(C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)Nc1cccc2ccccc21 ZINC000027569021 820259796 /nfs/dbraw/zinc/25/97/96/820259796.db2.gz FHFKRTOXIVOAMH-IBGZPJMESA-N 1 0 387.483 4.129 20 0 GIADRO C[C@@H](Oc1ccc(F)cc1)C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000027573443 820261108 /nfs/dbraw/zinc/26/11/08/820261108.db2.gz HGXWDCQFYPLANE-APWZRJJASA-N 1 0 390.524 4.244 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)CCc1ccc(C)cc1C)[NH+]1CCCC1 ZINC000027572373 820261346 /nfs/dbraw/zinc/26/13/46/820261346.db2.gz NAQJMDFCBWFTOS-QFIPXVFZSA-N 1 0 380.532 4.198 20 0 GIADRO CC1CC[NH+]([C@@H](CNC(=O)c2ccc(C(F)(F)F)nc2)c2cccs2)CC1 ZINC000027575543 820262043 /nfs/dbraw/zinc/26/20/43/820262043.db2.gz GMDBHSFAQKTYDR-HNNXBMFYSA-N 1 0 397.466 4.365 20 0 GIADRO CC1CC[NH+]([C@H](CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)c2cccs2)CC1 ZINC000027575539 820262211 /nfs/dbraw/zinc/26/22/11/820262211.db2.gz IKYUYNASLIEOGP-ZZJWQFMZSA-N 1 0 388.577 4.033 20 0 GIADRO C[C@H](C(=O)Nc1ccc2ccccc2c1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000027576174 820262719 /nfs/dbraw/zinc/26/27/19/820262719.db2.gz ACWBEQBLMIIPFE-HXUWFJFHSA-N 1 0 387.527 4.027 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)CCc1ccc(-c2ccccc2)o1)Cc1ccccc1 ZINC000027581936 820263237 /nfs/dbraw/zinc/26/32/37/820263237.db2.gz MZYBJSAAGYUXDQ-OAQYLSRUSA-N 1 0 376.500 4.168 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)CCCc1nc2ccccc2s1)c1cccc(F)c1 ZINC000027592197 820265040 /nfs/dbraw/zinc/26/50/40/820265040.db2.gz SVIDSBRSZRXKDL-SFHVURJKSA-N 1 0 385.508 4.177 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)NCCc2cccc(Cl)c2)CC1 ZINC000410331555 823465789 /nfs/dbraw/zinc/46/57/89/823465789.db2.gz ALZLHMCERNGAMM-UHFFFAOYSA-N 1 0 385.939 4.155 20 0 GIADRO O=C(CSCc1ccc(F)cc1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000027603041 820266243 /nfs/dbraw/zinc/26/62/43/820266243.db2.gz YEIBSDZDELUAEK-QGZVFWFLSA-N 1 0 378.538 4.074 20 0 GIADRO COc1ccc([C@@H](CNC(=O)c2ccc(F)cc2Cl)[NH+]2CCCCC2)cc1 ZINC000027667852 820272844 /nfs/dbraw/zinc/27/28/44/820272844.db2.gz OYKFCBHZUSADSK-HXUWFJFHSA-N 1 0 390.886 4.445 20 0 GIADRO COc1ccc([C@H](CNC(=O)c2ccccc2SC)[NH+]2CCCCC2)cc1 ZINC000027667276 820273120 /nfs/dbraw/zinc/27/31/20/820273120.db2.gz HRTYCJKFOFYPKK-FQEVSTJZSA-N 1 0 384.545 4.374 20 0 GIADRO CCCOc1c(Cl)cc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1OC ZINC000027675506 820273650 /nfs/dbraw/zinc/27/36/50/820273650.db2.gz WDVQLJQWLWDUKR-OAHLLOKOSA-N 1 0 396.940 4.232 20 0 GIADRO COCc1c(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)sc2cccc(F)c21 ZINC000027677412 820274134 /nfs/dbraw/zinc/27/41/34/820274134.db2.gz DPEGCUGJSAOLNN-AWEZNQCLSA-N 1 0 392.521 4.281 20 0 GIADRO O=C(NC1CC[NH+](C2CCCC2)CC1)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000177458695 823467403 /nfs/dbraw/zinc/46/74/03/823467403.db2.gz CPVFSMYAKXRHRF-ROUUACIJSA-N 1 0 396.453 4.212 20 0 GIADRO COc1ncc(C[N@H+](C)CCCCCc2cc(-c3cccc(F)c3)no2)c(C)n1 ZINC000410341620 823467790 /nfs/dbraw/zinc/46/77/90/823467790.db2.gz XORZSHJJJVWRFH-UHFFFAOYSA-N 1 0 398.482 4.433 20 0 GIADRO CC(C)c1oc([C@@H]2CCCN2C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)nc1-c1ccccc1 ZINC000573225383 823467831 /nfs/dbraw/zinc/46/78/31/823467831.db2.gz DVKNGTQDASPKAU-UHOSZYNNSA-N 1 0 396.535 4.439 20 0 GIADRO CCc1ccc(C(=O)CCC(=O)NC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000027927139 820297787 /nfs/dbraw/zinc/29/77/87/820297787.db2.gz NDBCMTQABTYTGU-UHFFFAOYSA-N 1 0 392.543 4.035 20 0 GIADRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)c1cc2cc(F)ccc2s1 ZINC000027931054 820298317 /nfs/dbraw/zinc/29/83/17/820298317.db2.gz CGDUEITUKOXUHD-UHFFFAOYSA-N 1 0 382.504 4.477 20 0 GIADRO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1cnn(Cc2ccccc2Cl)c1 ZINC000028176222 820315870 /nfs/dbraw/zinc/31/58/70/820315870.db2.gz POLUXHZVOSUOPF-UHFFFAOYSA-N 1 0 394.906 4.433 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(-c2nc(CC(F)(F)F)no2)c1)C1CCSCC1 ZINC000573254426 823471517 /nfs/dbraw/zinc/47/15/17/823471517.db2.gz FJTDDKIPWRUEPL-LBPRGKRZSA-N 1 0 385.455 4.463 20 0 GIADRO COC(=O)c1c(C[NH2+][C@@](C)(CO)C(C)C)nc2ccccc2c1-c1ccccc1 ZINC000573254539 823471543 /nfs/dbraw/zinc/47/15/43/823471543.db2.gz LQCDWWHMRXDPIV-DEOSSOPVSA-N 1 0 392.499 4.185 20 0 GIADRO O=C(N[C@@H](C[NH+]1CCCCC1)c1ccccc1)c1ccccc1Br ZINC000028316674 820324180 /nfs/dbraw/zinc/32/41/80/820324180.db2.gz LTXBWVBWLXWXLM-IBGZPJMESA-N 1 0 387.321 4.406 20 0 GIADRO COc1ccc2c(C[NH2+][C@H](C)c3ccc(NC(=O)C4CC4)cc3)cc(=O)oc2c1 ZINC000028348009 820327468 /nfs/dbraw/zinc/32/74/68/820327468.db2.gz DRBUBJGZYULZMW-CQSZACIVSA-N 1 0 392.455 4.001 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)N[C@H]1CCSc2ccc(F)cc21 ZINC000028391057 820332048 /nfs/dbraw/zinc/33/20/48/820332048.db2.gz ZTKKHRJIDJNPPG-FQEVSTJZSA-N 1 0 399.535 4.458 20 0 GIADRO CC[C@@H](CNC(=O)N(C)Cc1ccccc1Cl)[N@@H+]1CCc2ccccc2C1 ZINC000028391741 820332161 /nfs/dbraw/zinc/33/21/61/820332161.db2.gz MZQBJOOCGDBDHI-FQEVSTJZSA-N 1 0 385.939 4.318 20 0 GIADRO CCOc1ccc(CN(C)C(=O)NC[C@H](CC)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000028391866 820332399 /nfs/dbraw/zinc/33/23/99/820332399.db2.gz GROFVVJZZSRTAJ-QFIPXVFZSA-N 1 0 395.547 4.064 20 0 GIADRO C[NH+](C)CCN(Cc1cccs1)Cc1ccccc1OCc1cccnc1 ZINC000573249547 823470489 /nfs/dbraw/zinc/47/04/89/823470489.db2.gz OJFHNHBJVAPJSC-UHFFFAOYSA-N 1 0 381.545 4.286 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)N[C@H]2CCSc3ccc(Cl)cc32)c1 ZINC000028399474 820332922 /nfs/dbraw/zinc/33/29/22/820332922.db2.gz AQDFFWIYUXTJSQ-SFHVURJKSA-N 1 0 389.952 4.438 20 0 GIADRO COc1cccc(CC[NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)c1OC ZINC000573247750 823470542 /nfs/dbraw/zinc/47/05/42/823470542.db2.gz KVWJPMHUFAYFDX-NRFANRHFSA-N 1 0 380.532 4.033 20 0 GIADRO COC(=O)c1ccc(NC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000410353230 823470884 /nfs/dbraw/zinc/47/08/84/823470884.db2.gz QZULPJHLBHRSAW-KRWDZBQOSA-N 1 0 395.503 4.169 20 0 GIADRO O=C(c1csc(-c2ccc(Cl)s2)n1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000573254261 823471063 /nfs/dbraw/zinc/47/10/63/823471063.db2.gz WUCVDSUUTKSKPQ-YPMHNXCESA-N 1 0 381.954 4.129 20 0 GIADRO C[N@H+](CCCNC(=O)c1cnn(-c2ccccc2)c1C1CC1)Cc1ccccc1 ZINC000028484270 820339024 /nfs/dbraw/zinc/33/90/24/820339024.db2.gz VEYBYDQMMDAETP-UHFFFAOYSA-N 1 0 388.515 4.002 20 0 GIADRO COCc1ccccc1CNC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000410353287 823471098 /nfs/dbraw/zinc/47/10/98/823471098.db2.gz MKPWGAPYLYFJKY-LJQANCHMSA-N 1 0 395.547 4.064 20 0 GIADRO O=C(NCc1ccco1)c1cccc(C[NH+]2CCC(OCC3CCCC3)CC2)c1 ZINC000177482116 823472764 /nfs/dbraw/zinc/47/27/64/823472764.db2.gz OPIUXKYBURZYNT-UHFFFAOYSA-N 1 0 396.531 4.381 20 0 GIADRO CC[C@@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)c1nc(C(F)(F)F)cs1 ZINC000573264909 823472779 /nfs/dbraw/zinc/47/27/79/823472779.db2.gz MBGLHOQUVWEUJS-CQSZACIVSA-N 1 0 385.455 4.147 20 0 GIADRO C[C@H](Cc1cccs1)NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000410358984 823473496 /nfs/dbraw/zinc/47/34/96/823473496.db2.gz JNDPIITXNTZIFS-ZWKOTPCHSA-N 1 0 385.577 4.410 20 0 GIADRO C[N@H+](CCC(=O)Nc1ccc2c(c1)OCO2)Cc1cccc(Cl)c1Cl ZINC000028852561 820364280 /nfs/dbraw/zinc/36/42/80/820364280.db2.gz OTIYRGVQDAUZFM-UHFFFAOYSA-N 1 0 381.259 4.183 20 0 GIADRO C[C@@H]1C[N@@H+](CCCNC(=O)C[C@@H](Cc2ccccc2)c2ccccc2)C[C@H](C)O1 ZINC000460672847 823473855 /nfs/dbraw/zinc/47/38/55/823473855.db2.gz BJUTWDPWEZCUQJ-ZFGGDYGUSA-N 1 0 394.559 4.019 20 0 GIADRO CC[C@@H](C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1)C1CCC(C)CC1 ZINC000460672629 823473954 /nfs/dbraw/zinc/47/39/54/823473954.db2.gz GSAYPBIRLWPUTE-SOAGJPPSSA-N 1 0 399.579 4.255 20 0 GIADRO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CCC(=O)Nc1cccc2ccccc21 ZINC000028899931 820370113 /nfs/dbraw/zinc/37/01/13/820370113.db2.gz NRPHHQYAXZKJGP-SFHVURJKSA-N 1 0 399.498 4.442 20 0 GIADRO NC(=O)[C@H]([NH2+]C[C@@H](c1c[nH]c2ccccc21)c1ccccc1)c1ccc(F)cc1 ZINC000028902714 820370672 /nfs/dbraw/zinc/37/06/72/820370672.db2.gz MTUHSGYEMPOGOF-NFBKMPQASA-N 1 0 387.458 4.255 20 0 GIADRO CC(C)Oc1ccccc1CC(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000573273020 823474015 /nfs/dbraw/zinc/47/40/15/823474015.db2.gz HCYZPQVGPWJNFH-LJQANCHMSA-N 1 0 388.939 4.131 20 0 GIADRO COc1cc(CCC2CC[NH+](C[C@H](O)c3ccccc3F)CC2)cc(OC)c1 ZINC000028914728 820372113 /nfs/dbraw/zinc/37/21/13/820372113.db2.gz NJSCZPILYMAJCK-QHCPKHFHSA-N 1 0 387.495 4.221 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)c1 ZINC000028918145 820372914 /nfs/dbraw/zinc/37/29/14/820372914.db2.gz CRJMLYTUTZCTRX-SJCJKPOMSA-N 1 0 397.302 4.042 20 0 GIADRO COc1cc(CC(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)ccc1C ZINC000058949152 823474319 /nfs/dbraw/zinc/47/43/19/823474319.db2.gz QMPDFYYZIPLUDT-GOSISDBHSA-N 1 0 380.532 4.094 20 0 GIADRO O=C(C[NH2+]C(c1ccccc1)c1ccccc1)NCc1ccc(OC(F)F)cc1 ZINC000028928053 820374729 /nfs/dbraw/zinc/37/47/29/820374729.db2.gz PKUPLAMKBMKOQT-UHFFFAOYSA-N 1 0 396.437 4.283 20 0 GIADRO CCOc1c(Cl)cc(C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1OC ZINC000058972140 823477441 /nfs/dbraw/zinc/47/74/41/823477441.db2.gz KWQZCCXMFZRLAK-HZPDHXFCSA-N 1 0 396.959 4.235 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCC[C@H]1c1cccn1C ZINC000410362278 823474744 /nfs/dbraw/zinc/47/47/44/823474744.db2.gz UWRDCYQHPJTJTD-XXBNENTESA-N 1 0 394.563 4.446 20 0 GIADRO C[C@@H]1C[NH+](CCC2CCN(Cc3csc(-c4ccoc4)n3)CC2)C[C@@H](C)O1 ZINC000177490238 823474809 /nfs/dbraw/zinc/47/48/09/823474809.db2.gz WCDHSTLKOXJAOQ-IAGOWNOFSA-N 1 0 389.565 4.114 20 0 GIADRO CNC(=O)c1ccc(C[NH2+][C@H](Cc2ccc(F)cc2)c2ccc(OC)cc2)cc1 ZINC000123179326 823474823 /nfs/dbraw/zinc/47/48/23/823474823.db2.gz NHTRSDFTYKKUJU-HSZRJFAPSA-N 1 0 392.474 4.268 20 0 GIADRO CC(C)[C@H]([NH2+]CC(=O)Nc1cc2c(cc1Cl)OCCCO2)c1ccccc1 ZINC000029117313 820395797 /nfs/dbraw/zinc/39/57/97/820395797.db2.gz BRBJNPHKRDFLNT-NRFANRHFSA-N 1 0 388.895 4.427 20 0 GIADRO O=C(NCc1ccc(Br)s1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000029168015 820404021 /nfs/dbraw/zinc/40/40/21/820404021.db2.gz LYPHKPYUGSEPIK-UHFFFAOYSA-N 1 0 393.350 4.427 20 0 GIADRO O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1cc(Br)ccc1F ZINC000029178219 820407089 /nfs/dbraw/zinc/40/70/89/820407089.db2.gz XCZGPXIMORRNEY-SFHVURJKSA-N 1 0 391.284 4.155 20 0 GIADRO Cc1oc(-c2cccs2)nc1CC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000029179593 820407818 /nfs/dbraw/zinc/40/78/18/820407818.db2.gz HWBONABYNXMGKY-IBGZPJMESA-N 1 0 395.528 4.207 20 0 GIADRO CN(C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000460680361 823476957 /nfs/dbraw/zinc/47/69/57/823476957.db2.gz XLVPMMVUYZYOQT-GBESFXJTSA-N 1 0 397.485 4.271 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCC[C@H]2c2cccn2C)C1 ZINC000410370004 823477636 /nfs/dbraw/zinc/47/76/36/823477636.db2.gz ZLMXIHIAJMJXJT-CVDCTZTESA-N 1 0 394.563 4.304 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1c(F)c(F)cc(F)c1F)c1cccc(OC)c1 ZINC000177502154 823477871 /nfs/dbraw/zinc/47/78/71/823477871.db2.gz CLAIYCNJYBBKLQ-INIZCTEOSA-N 1 0 398.400 4.065 20 0 GIADRO CC[NH2+]Cc1cccc(NC(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)c1 ZINC000123203175 823478045 /nfs/dbraw/zinc/47/80/45/823478045.db2.gz DUYXFAGHVRAXJH-UHFFFAOYSA-N 1 0 379.508 4.497 20 0 GIADRO CC[C@@H](C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)C1CCC(C)CC1 ZINC000460684084 823478205 /nfs/dbraw/zinc/47/82/05/823478205.db2.gz MRUAKCMMZXSLQJ-RKOYOZNISA-N 1 0 399.579 4.175 20 0 GIADRO Cc1sc(-c2ccco2)nc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000029296311 820430738 /nfs/dbraw/zinc/43/07/38/820430738.db2.gz ZTWKDBZCLMEURC-UHFFFAOYSA-N 1 0 396.516 4.024 20 0 GIADRO COc1ccccc1NC(=O)C1CC[NH+](Cc2ccc3nc(C)ccc3c2)CC1 ZINC000189729243 823483151 /nfs/dbraw/zinc/48/31/51/823483151.db2.gz JGPQBEHZWIMFID-UHFFFAOYSA-N 1 0 389.499 4.403 20 0 GIADRO CCN(CCC[NH+]1CCCC1)C(=O)Nc1c(F)cc(Br)cc1F ZINC000189703121 823479439 /nfs/dbraw/zinc/47/94/39/823479439.db2.gz IRYKYUOCRFZWJK-UHFFFAOYSA-N 1 0 390.272 4.067 20 0 GIADRO COc1ccc([C@H](C)N(C)C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000123212537 823479661 /nfs/dbraw/zinc/47/96/61/823479661.db2.gz WINNEMAMWVTBBZ-AVRDEDQJSA-N 1 0 381.520 4.235 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N(C)CCOc3ccccc3)cc2)C1 ZINC000410374709 823479917 /nfs/dbraw/zinc/47/99/17/823479917.db2.gz ZTADEFSBBJANCK-FQEVSTJZSA-N 1 0 395.547 4.139 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N(C)CCOc1ccccc1 ZINC000410374667 823479983 /nfs/dbraw/zinc/47/99/83/823479983.db2.gz UNGZMDRZDFBMCE-HXUWFJFHSA-N 1 0 395.547 4.281 20 0 GIADRO c1ccc(COc2ccc(C3([NH2+]CC[C@@H]4CCCO4)CCOCC3)cc2)cc1 ZINC000189714871 823480722 /nfs/dbraw/zinc/48/07/22/823480722.db2.gz MYXQJEVZIZQEEC-QFIPXVFZSA-N 1 0 381.516 4.430 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)CCc3nc4ccccc4o3)C2)s1 ZINC000573330355 823480910 /nfs/dbraw/zinc/48/09/10/823480910.db2.gz PXSDVUPOWAAQJO-KRWDZBQOSA-N 1 0 397.544 4.111 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)Cc1c(Cl)cccc1Cl ZINC000059002922 823481576 /nfs/dbraw/zinc/48/15/76/823481576.db2.gz MNWHXSCPSGUEGT-UHFFFAOYSA-N 1 0 383.294 4.265 20 0 GIADRO CC[C@H](C)c1ccccc1OCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000029547965 820473968 /nfs/dbraw/zinc/47/39/68/820473968.db2.gz IEGCARMSOSVACP-IBGZPJMESA-N 1 0 380.532 4.491 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)CCCc2cc(F)ccc2F)CC1 ZINC000123229389 823481996 /nfs/dbraw/zinc/48/19/96/823481996.db2.gz MLVVUPFQGUBRGW-UHFFFAOYSA-N 1 0 386.486 4.377 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000189731821 823483475 /nfs/dbraw/zinc/48/34/75/823483475.db2.gz GJWKUHYXQWWBBV-INIZCTEOSA-N 1 0 386.565 4.305 20 0 GIADRO C[N@H+](CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2)C1CCCCCC1 ZINC000029599031 820481995 /nfs/dbraw/zinc/48/19/95/820481995.db2.gz WBCCVNPFEKIIFQ-HXUWFJFHSA-N 1 0 386.536 4.166 20 0 GIADRO COc1ccccc1CNC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000029655166 820494401 /nfs/dbraw/zinc/49/44/01/820494401.db2.gz BYZASOFPUQZTTQ-GOSISDBHSA-N 1 0 387.549 4.029 20 0 GIADRO COc1cc(NC(=O)CC[NH2+]C[C@H](C)c2ccccc2)c(OC)cc1Cl ZINC000573357864 823483994 /nfs/dbraw/zinc/48/39/94/823483994.db2.gz GMYMULAWVJAFOK-AWEZNQCLSA-N 1 0 376.884 4.079 20 0 GIADRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000029692863 820498486 /nfs/dbraw/zinc/49/84/86/820498486.db2.gz ZZWYOSPMJKFIEA-NRFANRHFSA-N 1 0 396.494 4.178 20 0 GIADRO COc1cc(C)c(Br)cc1NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000573357644 823484075 /nfs/dbraw/zinc/48/40/75/823484075.db2.gz GYUWDHGXGFKWLL-OAHLLOKOSA-N 1 0 377.282 4.185 20 0 GIADRO C[C@H]1Oc2ccccc2[C@H]1NC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000573361185 823484392 /nfs/dbraw/zinc/48/43/92/823484392.db2.gz RJUATOGZZZQLOF-VGSWGCGISA-N 1 0 379.504 4.359 20 0 GIADRO Cc1ccc(-c2cc(C[N@@H+]3CCCN(Cc4ccc(F)cc4)CC3)on2)cc1 ZINC000029712353 820503775 /nfs/dbraw/zinc/50/37/75/820503775.db2.gz PONPLYWKBBRXAQ-UHFFFAOYSA-N 1 0 379.479 4.497 20 0 GIADRO C[N@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000029715477 820505407 /nfs/dbraw/zinc/50/54/07/820505407.db2.gz NBXUQXOSCIYUNZ-QGZVFWFLSA-N 1 0 376.847 4.009 20 0 GIADRO CCOCCCNC(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000029723555 820506632 /nfs/dbraw/zinc/50/66/32/820506632.db2.gz SIWFBFZWEYTKHX-UHFFFAOYSA-N 1 0 395.547 4.175 20 0 GIADRO C[N@H+](CCCNC(=O)N[C@@H](c1ccccc1)c1ccccn1)C1CCCCC1 ZINC000029731099 820508520 /nfs/dbraw/zinc/50/85/20/820508520.db2.gz TWLYOHUZQIOPIZ-QFIPXVFZSA-N 1 0 380.536 4.125 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccc(Cl)c2cccnc12 ZINC000029758464 820511226 /nfs/dbraw/zinc/51/12/26/820511226.db2.gz PRFOBCKODGNUMO-GOSISDBHSA-N 1 0 383.879 4.438 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)CCC(=O)c2ccccc2)C1 ZINC000059060824 823485272 /nfs/dbraw/zinc/48/52/72/823485272.db2.gz BKINTWOQFHVVAW-BGYRXZFFSA-N 1 0 392.543 4.444 20 0 GIADRO C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029826141 820525990 /nfs/dbraw/zinc/52/59/90/820525990.db2.gz CBZBSKADIACHOP-IEBWSBKVSA-N 1 0 377.488 4.227 20 0 GIADRO CC(=O)c1c(C)[nH]c(C(=O)NCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)c1C ZINC000059286565 823489649 /nfs/dbraw/zinc/48/96/49/823489649.db2.gz KHQDNAUYUZULLT-HOTGVXAUSA-N 1 0 395.547 4.242 20 0 GIADRO COc1ccc(OC)c([C@@H](C)NC(=O)C[N@H+](Cc2ccccc2)[C@@H](C)C2CC2)c1 ZINC000029842817 820530669 /nfs/dbraw/zinc/53/06/69/820530669.db2.gz LYMZPVJGSZWBIA-MSOLQXFVSA-N 1 0 396.531 4.182 20 0 GIADRO C[C@@H](C1CC1)[N@H+](CC(=O)N1CCc2[nH]c3ccccc3c2C1)Cc1ccccc1 ZINC000029844630 820531461 /nfs/dbraw/zinc/53/14/61/820531461.db2.gz LYUJMDWLWSXQCP-SFHVURJKSA-N 1 0 387.527 4.353 20 0 GIADRO COc1cc(C[N@@H+]2CCC[C@@H]2Cn2cnc3ccccc32)ccc1OC(C)C ZINC000573381443 823486738 /nfs/dbraw/zinc/48/67/38/823486738.db2.gz GCFYINWJUJVZAP-LJQANCHMSA-N 1 0 379.504 4.497 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CSc1ccccc1OC ZINC000123280299 823489757 /nfs/dbraw/zinc/48/97/57/823489757.db2.gz WPQSZOZCEWLRKL-HXUWFJFHSA-N 1 0 398.572 4.158 20 0 GIADRO CC[C@H](NC(=O)NCc1ccc(OCC[NH+](C)C)cc1)c1cccc(Cl)c1 ZINC000410402329 823487665 /nfs/dbraw/zinc/48/76/65/823487665.db2.gz ZFUPSNGVRBPOCS-FQEVSTJZSA-N 1 0 389.927 4.231 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@H](O)c1ccc(OC(C)C)cc1)CC3 ZINC000123266025 823487735 /nfs/dbraw/zinc/48/77/35/823487735.db2.gz GKUGTZKSDQZRJL-OSPHWJPCSA-N 1 0 394.515 4.144 20 0 GIADRO COc1ccccc1[C@H](C[NH2+][C@H](C[C@@H]1CCCO1)c1ccc(F)cc1)N(C)C ZINC000573409901 823489842 /nfs/dbraw/zinc/48/98/42/823489842.db2.gz TTYICLNNBZVDHC-NNWRFLSQSA-N 1 0 386.511 4.337 20 0 GIADRO COc1ccccc1[C@H](C[NH2+][C@H](C[C@H]1CCCO1)c1ccc(F)cc1)N(C)C ZINC000573409899 823489867 /nfs/dbraw/zinc/48/98/67/823489867.db2.gz TTYICLNNBZVDHC-FCEUIQTBSA-N 1 0 386.511 4.337 20 0 GIADRO CCOC1CC(CCNC(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)C1 ZINC000189752810 823488344 /nfs/dbraw/zinc/48/83/44/823488344.db2.gz OZHKPFWNQBMMDT-CTWPCTMYSA-N 1 0 393.597 4.026 20 0 GIADRO Cc1cc(C)c(NC(=O)CN2CCC[N@H+](Cc3ccccc3C)CC2)c(Cl)c1 ZINC000030153839 820580646 /nfs/dbraw/zinc/58/06/46/820580646.db2.gz IZARRBKGVXFEQF-UHFFFAOYSA-N 1 0 399.966 4.412 20 0 GIADRO O[C@@H](CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1cccc(F)c1 ZINC000059370373 823494289 /nfs/dbraw/zinc/49/42/89/823494289.db2.gz IVJVOZVXSUNQPW-DEOSSOPVSA-N 1 0 390.502 4.266 20 0 GIADRO Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccc(Br)cc1 ZINC000059384297 823494302 /nfs/dbraw/zinc/49/43/02/823494302.db2.gz FLMLJSDENQGHLH-RBUKOAKNSA-N 1 0 390.321 4.334 20 0 GIADRO Cc1noc(C)c1CSc1ccccc1C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000177576455 823494862 /nfs/dbraw/zinc/49/48/62/823494862.db2.gz LTZHMABCDJKBAL-SJORKVTESA-N 1 0 387.549 4.186 20 0 GIADRO CCN(CCC[NH+]1CCCC1)C(=O)Nc1ccc2nc(-c3ccccn3)oc2c1 ZINC000189766333 823490904 /nfs/dbraw/zinc/49/09/04/823490904.db2.gz RRFDGZAZISXTDO-UHFFFAOYSA-N 1 0 393.491 4.230 20 0 GIADRO COc1ccc2c(C[NH2+][C@@H](C)c3ccc(OC(C)C)c(OC)c3)cc(=O)oc2c1 ZINC000030454835 820618087 /nfs/dbraw/zinc/61/80/87/820618087.db2.gz HLSRALUAOGGQDF-HNNXBMFYSA-N 1 0 397.471 4.448 20 0 GIADRO COc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(OC(C)C)c(OC)c1 ZINC000030454948 820618767 /nfs/dbraw/zinc/61/87/67/820618767.db2.gz WBAHJSLRUQCSAO-HOTGVXAUSA-N 1 0 386.492 4.169 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(F)c(F)c2)ccc1OC(C)C ZINC000030492703 820623284 /nfs/dbraw/zinc/62/32/84/820623284.db2.gz CDVILOXJPSDZAP-KBPBESRZSA-N 1 0 392.446 4.438 20 0 GIADRO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000030508518 820626661 /nfs/dbraw/zinc/62/66/61/820626661.db2.gz MEACPITWKFNYCR-KRWDZBQOSA-N 1 0 386.923 4.313 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2)cc1Br ZINC000030509628 820627082 /nfs/dbraw/zinc/62/70/82/820627082.db2.gz XNDYHGZCNXEYSR-CHWSQXEVSA-N 1 0 377.282 4.136 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(COCc2ccco2)c1)C(=O)NC1CCC(C)CC1 ZINC000030511173 820628065 /nfs/dbraw/zinc/62/80/65/820628065.db2.gz OBYKTRZQUSEZOQ-IDYZSHNDSA-N 1 0 384.520 4.169 20 0 GIADRO COc1ccc(NC(=O)[C@H](C)[NH2+]Cc2cccc(COCc3ccco3)c2)cc1 ZINC000030511252 820628684 /nfs/dbraw/zinc/62/86/84/820628684.db2.gz LGCHCFOZEDZQGV-KRWDZBQOSA-N 1 0 394.471 4.122 20 0 GIADRO C[C@H](NCc1ccccc1C[NH+]1CCC(C)CC1)c1nnnn1C1CCCCC1 ZINC000189772332 823491919 /nfs/dbraw/zinc/49/19/19/823491919.db2.gz WVHKRCFSQJSNAU-IBGZPJMESA-N 1 0 396.583 4.261 20 0 GIADRO Cc1ccc(OCc2nc(C[NH2+][C@@H](C)[C@H](O)Cc3ccccc3)cs2)cc1 ZINC000123294361 823492007 /nfs/dbraw/zinc/49/20/07/823492007.db2.gz UETNVSYXSORGJQ-LAUBAEHRSA-N 1 0 382.529 4.112 20 0 GIADRO C[C@H](c1nc(-c2ccccc2)no1)N1CC[NH+](CCCCC2CCOCC2)CC1 ZINC000410420042 823492078 /nfs/dbraw/zinc/49/20/78/823492078.db2.gz FQTKFQXPGCKSOK-LJQANCHMSA-N 1 0 398.551 4.012 20 0 GIADRO COc1cc([C@@H](C)[NH2+]C[C@H](O)COc2ccc(Cl)cc2)ccc1OC(C)C ZINC000030533714 820634652 /nfs/dbraw/zinc/63/46/52/820634652.db2.gz QWUSTXJVOFIXCA-QAPCUYQASA-N 1 0 393.911 4.226 20 0 GIADRO O=C(c1ccccc1)N1CCC([NH2+]Cc2cnc(-c3cccs3)s2)CC1 ZINC000177565401 823492514 /nfs/dbraw/zinc/49/25/14/823492514.db2.gz WYUXGRDDUSXQDP-UHFFFAOYSA-N 1 0 383.542 4.266 20 0 GIADRO COc1cc(C[NH2+]C[C@@H](c2cccs2)N(C)C)ccc1OCc1ccncc1 ZINC000030544892 820637200 /nfs/dbraw/zinc/63/72/00/820637200.db2.gz NOWGOMKAYXCQSD-IBGZPJMESA-N 1 0 397.544 4.123 20 0 GIADRO COc1ccccc1[C@H](C[NH2+]Cc1ccccc1OCc1cccnc1)N(C)C ZINC000030544276 820637225 /nfs/dbraw/zinc/63/72/25/820637225.db2.gz QIVUMMYXIAYGLZ-QFIPXVFZSA-N 1 0 391.515 4.062 20 0 GIADRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cnc3ccccc3c2)cc1 ZINC000410421970 823492669 /nfs/dbraw/zinc/49/26/69/823492669.db2.gz KJNXPWKJURVDTE-QGZVFWFLSA-N 1 0 397.544 4.116 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)c2cc(Cl)ccc2Br)cc1 ZINC000030562223 820641166 /nfs/dbraw/zinc/64/11/66/820641166.db2.gz BTUSIJQDFLJBIC-UHFFFAOYSA-N 1 0 381.701 4.094 20 0 GIADRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)Nc1ccc(OC(F)F)c(F)c1 ZINC000059350825 823493061 /nfs/dbraw/zinc/49/30/61/823493061.db2.gz JZQHTCLCWHKJBC-KRWDZBQOSA-N 1 0 393.409 4.386 20 0 GIADRO Cc1cc(Br)ccc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000059403448 823495240 /nfs/dbraw/zinc/49/52/40/823495240.db2.gz AGOFKASFJZQDFQ-GOSISDBHSA-N 1 0 387.321 4.152 20 0 GIADRO COCc1ccc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)cc1 ZINC000030631640 820654198 /nfs/dbraw/zinc/65/41/98/820654198.db2.gz QRPJFXOMNJHRRC-UHFFFAOYSA-N 1 0 384.483 4.371 20 0 GIADRO Fc1ccccc1-c1ccc(C[NH2+]Cc2ccc(Cn3cncn3)cc2)s1 ZINC000030633898 820654993 /nfs/dbraw/zinc/65/49/93/820654993.db2.gz LLDALPRNDWPNNN-UHFFFAOYSA-N 1 0 378.476 4.484 20 0 GIADRO CC[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000123321431 823495742 /nfs/dbraw/zinc/49/57/42/823495742.db2.gz GQRVGDVLUYMONX-VXKWHMMOSA-N 1 0 379.504 4.242 20 0 GIADRO CNC(=O)c1ccc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)cc1 ZINC000030671994 820662782 /nfs/dbraw/zinc/66/27/82/820662782.db2.gz RUIXARNCGQWUNY-UHFFFAOYSA-N 1 0 396.494 4.189 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCc1nc(C(F)(F)F)cs1)CC3 ZINC000123329833 823497212 /nfs/dbraw/zinc/49/72/12/823497212.db2.gz AKGQAQCHESMSQL-LLVKDONJSA-N 1 0 395.450 4.341 20 0 GIADRO C[C@H](C1CC1)n1cc(NC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)cn1 ZINC000189814208 823500355 /nfs/dbraw/zinc/50/03/55/823500355.db2.gz KUZKJPHQSFUXAX-GOSISDBHSA-N 1 0 395.551 4.230 20 0 GIADRO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)c1ccc(-n2ccnc2)cc1 ZINC000123332237 823497508 /nfs/dbraw/zinc/49/75/08/823497508.db2.gz JQYBEBNZYQSTAP-TYGFWLQKSA-N 1 0 396.535 4.453 20 0 GIADRO Fc1ccc(COC2CC[NH+](CCOCC(F)(F)C(F)(F)F)CC2)cc1 ZINC000189804210 823497626 /nfs/dbraw/zinc/49/76/26/823497626.db2.gz DCHZJQGGAKBPPN-UHFFFAOYSA-N 1 0 385.348 4.021 20 0 GIADRO CSc1cccc(N(C(=O)CCCc2ncc(C)o2)C2CC[NH+](C)CC2)c1 ZINC000410466639 823497871 /nfs/dbraw/zinc/49/78/71/823497871.db2.gz IYENNWMQIMSLRA-UHFFFAOYSA-N 1 0 387.549 4.155 20 0 GIADRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)CC1 ZINC000059748026 823498024 /nfs/dbraw/zinc/49/80/24/823498024.db2.gz LZYBNPPVUMQWOI-UHFFFAOYSA-N 1 0 399.771 4.142 20 0 GIADRO C[C@H]1CCC[N@H+](CCNC(=O)c2cc(NC(=O)CC(C)(C)C)ccc2Cl)C1 ZINC000460738063 823500451 /nfs/dbraw/zinc/50/04/51/823500451.db2.gz SKFQGLBUUFPOJI-HNNXBMFYSA-N 1 0 393.959 4.176 20 0 GIADRO O=C(c1ccccc1OCc1ccc(Cl)cc1)N1CC[NH+](CC2CC2)CC1 ZINC000059779780 823498625 /nfs/dbraw/zinc/49/86/25/823498625.db2.gz NKUKBUCSYVBHFX-UHFFFAOYSA-N 1 0 384.907 4.087 20 0 GIADRO c1ccc(Oc2cccc(C[NH2+]Cc3ccnc(N4CCOCC4)c3)c2)cc1 ZINC000030900337 820705465 /nfs/dbraw/zinc/70/54/65/820705465.db2.gz NERDNIQZZFKVFB-UHFFFAOYSA-N 1 0 375.472 4.000 20 0 GIADRO COc1cc(C[NH2+]Cc2cccc(COCc3ccco3)c2)cc2c1OCCO2 ZINC000030913351 820707560 /nfs/dbraw/zinc/70/75/60/820707560.db2.gz LJAAFJRBSZXWIQ-UHFFFAOYSA-N 1 0 395.455 4.066 20 0 GIADRO O=C([C@H]1CC[N@@H+](C2CCCCC2)C1)N1CCC(c2nc3ccccc3o2)CC1 ZINC000177598153 823498829 /nfs/dbraw/zinc/49/88/29/823498829.db2.gz ASSSAWXLEHGHEJ-SFHVURJKSA-N 1 0 381.520 4.188 20 0 GIADRO Cc1cccc2nc(C3CC[NH+](CC(=O)N(C4CC4)C4CCCC4)CC3)oc21 ZINC000189808900 823498851 /nfs/dbraw/zinc/49/88/51/823498851.db2.gz JGKRRMJVTYBWDA-UHFFFAOYSA-N 1 0 381.520 4.249 20 0 GIADRO Cc1cccc2nc(C3CC[NH+](CCC(=O)Nc4ccccc4F)CC3)oc21 ZINC000189809821 823499166 /nfs/dbraw/zinc/49/91/66/823499166.db2.gz YDRREDMXYAZPLT-UHFFFAOYSA-N 1 0 381.451 4.484 20 0 GIADRO CCOC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(C)C ZINC000189810106 823499190 /nfs/dbraw/zinc/49/91/90/823499190.db2.gz VMDMGHSADGKGNV-NHYWBVRUSA-N 1 0 380.838 4.337 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(Cl)c3cc(Cl)ccc3n2)[C@@H](C)C1 ZINC000410511458 823500561 /nfs/dbraw/zinc/50/05/61/823500561.db2.gz GUFPKMIOLXMNHO-SGTLLEGYSA-N 1 0 380.319 4.344 20 0 GIADRO Cc1cccc2nc(C3CC[NH+](C[C@@H](O)COCc4ccccc4F)CC3)oc21 ZINC000189810532 823499409 /nfs/dbraw/zinc/49/94/09/823499409.db2.gz GCFCLEHFJHEDTG-LJQANCHMSA-N 1 0 398.478 4.032 20 0 GIADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccc(-c2nc3ccccc3s2)o1 ZINC000059995885 823504605 /nfs/dbraw/zinc/50/46/05/823504605.db2.gz RURJLLKNWINZSL-LSDHHAIUSA-N 1 0 383.517 4.407 20 0 GIADRO CC1(C)CC(NC(=O)NCC(c2ccccc2)c2ccccc2)CC(C)(C)[NH2+]1 ZINC000031106794 820744750 /nfs/dbraw/zinc/74/47/50/820744750.db2.gz LQNCMTCNXONMES-UHFFFAOYSA-N 1 0 379.548 4.427 20 0 GIADRO C[N@H+](CCCNC(=O)c1ncoc1-c1ccccc1Cl)C1CCCCC1 ZINC000460755958 823504889 /nfs/dbraw/zinc/50/48/89/823504889.db2.gz NCKNFFRODDZCCK-UHFFFAOYSA-N 1 0 375.900 4.379 20 0 GIADRO CN(Cc1cccc(Cl)c1)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000031148628 820754212 /nfs/dbraw/zinc/75/42/12/820754212.db2.gz XSRJXKWGAIUOLH-UHFFFAOYSA-N 1 0 385.939 4.189 20 0 GIADRO COc1ccc(OC)c([C@@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC000177635173 823505229 /nfs/dbraw/zinc/50/52/29/823505229.db2.gz AMZMADVSGAFHBD-UTKZUKDTSA-N 1 0 386.536 4.022 20 0 GIADRO O=C(N[C@H]1C[C@H](c2ccccc2)C1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460758004 823505331 /nfs/dbraw/zinc/50/53/31/823505331.db2.gz KXZJCPBYTMDCGM-XQUALCHDSA-N 1 0 389.543 4.096 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)NCc1nc2ccccc2s1)c1ccsc1 ZINC000031194279 820765921 /nfs/dbraw/zinc/76/59/21/820765921.db2.gz FZKHZUHRPCLEEZ-MRXNPFEDSA-N 1 0 388.562 4.240 20 0 GIADRO CN(C)c1ccc(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)c(C(F)(F)F)c1 ZINC000177613008 823501140 /nfs/dbraw/zinc/50/11/40/823501140.db2.gz BZXVHQILBLKFTN-CQSZACIVSA-N 1 0 383.458 4.365 20 0 GIADRO Cc1ccc(-c2cc(C(=O)NC[C@@H](c3cccs3)[NH+]3CCCC3)on2)cc1 ZINC000031210918 820770206 /nfs/dbraw/zinc/77/02/06/820770206.db2.gz SACPGLRSVNMDOI-SFHVURJKSA-N 1 0 381.501 4.278 20 0 GIADRO Cc1ccc(-c2nc(C(=O)NCc3ccc(C[NH+]4CCCC4)cc3)cs2)o1 ZINC000031220245 820773802 /nfs/dbraw/zinc/77/38/02/820773802.db2.gz WRUFUTMEOPCFLR-UHFFFAOYSA-N 1 0 381.501 4.237 20 0 GIADRO C[NH+](C)C1(CNC(=O)c2cc3c(cccc3OC(F)F)[nH]2)CCCCCC1 ZINC000031272102 820784546 /nfs/dbraw/zinc/78/45/46/820784546.db2.gz QLZJRUVSPHUZBQ-UHFFFAOYSA-N 1 0 379.451 4.154 20 0 GIADRO COC1CCC(CC(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)CC1 ZINC000123370355 823502479 /nfs/dbraw/zinc/50/24/79/823502479.db2.gz SMEWKIXEVDBCMW-ACBHZAAOSA-N 1 0 378.582 4.233 20 0 GIADRO COC1CCC(CC(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)CC1 ZINC000123370545 823502486 /nfs/dbraw/zinc/50/24/86/823502486.db2.gz SMEWKIXEVDBCMW-CTWPCTMYSA-N 1 0 378.582 4.233 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)[C@H](C)c1ccc(F)c(F)c1 ZINC000460746661 823503045 /nfs/dbraw/zinc/50/30/45/823503045.db2.gz NUBNASINZGIHGH-MRXNPFEDSA-N 1 0 390.474 4.105 20 0 GIADRO Cc1cc(CCCC(=O)N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c(C)s1 ZINC000177639248 823506000 /nfs/dbraw/zinc/50/60/00/823506000.db2.gz XSMOMFMWJRUGDL-IAGOWNOFSA-N 1 0 392.609 4.035 20 0 GIADRO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cc2c(cccc2OC(F)F)[nH]1 ZINC000031415875 820807701 /nfs/dbraw/zinc/80/77/01/820807701.db2.gz PJDYKZOVYQGPQO-INIZCTEOSA-N 1 0 399.441 4.164 20 0 GIADRO C[NH+](C)CCNC(=O)c1ccc(NC(=O)c2ccc(C3CCCCC3)cc2)cc1 ZINC000031464003 820814480 /nfs/dbraw/zinc/81/44/80/820814480.db2.gz GMGTVLXLRAWGGU-UHFFFAOYSA-N 1 0 393.531 4.278 20 0 GIADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+]Cc1nccn1CCCc1ccccc1 ZINC000123419878 823507413 /nfs/dbraw/zinc/50/74/13/823507413.db2.gz GWOJKHUBAYPCBJ-WOJBJXKFSA-N 1 0 398.551 4.051 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1ncoc1-c1ccccc1Cl)c1ccsc1 ZINC000460769028 823507457 /nfs/dbraw/zinc/50/74/57/823507457.db2.gz IGDXSFHYDXMGTE-OAHLLOKOSA-N 1 0 375.881 4.089 20 0 GIADRO Cc1ccc(-c2nc(CC(=O)N[C@@H]3CCC[N@H+](Cc4ccccc4)C3)cs2)o1 ZINC000031541932 820823547 /nfs/dbraw/zinc/82/35/47/820823547.db2.gz CVCOJHWFSHKLQV-GOSISDBHSA-N 1 0 395.528 4.035 20 0 GIADRO COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H](C)C[C@@H](C)O)cc1 ZINC000123465823 823511868 /nfs/dbraw/zinc/51/18/68/823511868.db2.gz CCOUWSAGPOORQB-QZTJIDSGSA-N 1 0 379.504 4.045 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)Sc2ccnc3cc(Cl)ccc32)C1 ZINC000177653016 823507722 /nfs/dbraw/zinc/50/77/22/823507722.db2.gz JVNZEKVWCGMLIC-HUUCEWRRSA-N 1 0 391.968 4.169 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)c1 ZINC000123423561 823507757 /nfs/dbraw/zinc/50/77/57/823507757.db2.gz BXKHMONKYSXVGM-ZWKOTPCHSA-N 1 0 376.422 4.187 20 0 GIADRO C[C@H](NC(=O)N(Cc1c(F)cccc1F)C1CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000189866625 823508038 /nfs/dbraw/zinc/50/80/38/823508038.db2.gz GUPISOQVKOKHMA-HOTGVXAUSA-N 1 0 391.506 4.292 20 0 GIADRO C[C@H](NC(=O)N1CCc2cc(Cl)ccc2C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000189867081 823508070 /nfs/dbraw/zinc/50/80/70/823508070.db2.gz YEXIPXJGOQYNLB-RDJZCZTQSA-N 1 0 375.944 4.061 20 0 GIADRO O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000177657451 823508751 /nfs/dbraw/zinc/50/87/51/823508751.db2.gz BGZVZQRZIIAELT-ZWKOTPCHSA-N 1 0 381.520 4.188 20 0 GIADRO O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000177657437 823508902 /nfs/dbraw/zinc/50/89/02/823508902.db2.gz BGZVZQRZIIAELT-QZTJIDSGSA-N 1 0 381.520 4.188 20 0 GIADRO CC[NH+](CC)CCCCNC(=O)Cc1csc(-c2ccccc2Cl)n1 ZINC000031868249 820868563 /nfs/dbraw/zinc/86/85/63/820868563.db2.gz HEEQWWCUCMSTMN-UHFFFAOYSA-N 1 0 379.957 4.244 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1cc2cnn(C(C)C)c2nc1C)c1ccsc1 ZINC000031985081 820884355 /nfs/dbraw/zinc/88/43/55/820884355.db2.gz YSIPCNLGBCNPNW-LJQANCHMSA-N 1 0 399.564 4.195 20 0 GIADRO Cc1cccc(N2CC[NH+](Cc3ccc(NC(=O)C4CCCC4)cc3)CC2)c1 ZINC000032018789 820888493 /nfs/dbraw/zinc/88/84/93/820888493.db2.gz FTJYMGILARNVBO-UHFFFAOYSA-N 1 0 377.532 4.446 20 0 GIADRO CC1CC[NH+](Cc2ccc(CNC(=O)CCc3nc4ccccc4[nH]3)cc2)CC1 ZINC000032018139 820888567 /nfs/dbraw/zinc/88/85/67/820888567.db2.gz ZLVOQCICGFECTK-UHFFFAOYSA-N 1 0 390.531 4.044 20 0 GIADRO O=C(NCCSc1ccccc1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000060219821 823512626 /nfs/dbraw/zinc/51/26/26/823512626.db2.gz KAAMLTOULNTTEW-UHFFFAOYSA-N 1 0 389.590 4.052 20 0 GIADRO COc1ccc(Cl)cc1C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000060221158 823512661 /nfs/dbraw/zinc/51/26/61/823512661.db2.gz MWLWJFHYEXQFBP-UHFFFAOYSA-N 1 0 390.936 4.192 20 0 GIADRO O=C(CCCOc1ccccc1)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000060221218 823512695 /nfs/dbraw/zinc/51/26/95/823512695.db2.gz RDXUNZZFIXJAIK-UHFFFAOYSA-N 1 0 384.545 4.076 20 0 GIADRO CCc1nn(C)cc1C[NH2+][C@H]1CCCc2cc(NC(=O)OC(C)(C)C)ccc21 ZINC000189910210 823512750 /nfs/dbraw/zinc/51/27/50/823512750.db2.gz CVVCFUOIDKLHTE-FQEVSTJZSA-N 1 0 384.524 4.497 20 0 GIADRO C[C@@H](Oc1cccc(Cl)c1)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000060244138 823513221 /nfs/dbraw/zinc/51/32/21/823513221.db2.gz PVOKFZAEJYXVIH-HZPDHXFCSA-N 1 0 392.952 4.197 20 0 GIADRO O=C(NCc1ccc(Cl)cc1)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000060244791 823513255 /nfs/dbraw/zinc/51/32/55/823513255.db2.gz UEBTUYPJADCDEB-MRXNPFEDSA-N 1 0 377.941 4.113 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@@H](c1ccccc1)C(C)(C)CO)CC3 ZINC000123482791 823513578 /nfs/dbraw/zinc/51/35/78/823513578.db2.gz WVTFNSVDSJRSFX-AVRDEDQJSA-N 1 0 392.543 4.426 20 0 GIADRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)CCOc3cccc(Cl)c3)C2)CC1 ZINC000060275728 823514186 /nfs/dbraw/zinc/51/41/86/823514186.db2.gz PAZAEGWTZXQQSY-SFHVURJKSA-N 1 0 378.944 4.079 20 0 GIADRO COc1cc(C[NH2+]C[C@H](C)CO)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000123499349 823514967 /nfs/dbraw/zinc/51/49/67/823514967.db2.gz FDMUYUZMRWSLIR-AWEZNQCLSA-N 1 0 383.410 4.011 20 0 GIADRO O=C(Cc1ccc(Cl)c(Cl)c1)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000032398877 820933208 /nfs/dbraw/zinc/93/32/08/820933208.db2.gz UBYKNCIVZARONB-UHFFFAOYSA-N 1 0 377.315 4.101 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1csc(Br)c1 ZINC000032426076 820941105 /nfs/dbraw/zinc/94/11/05/820941105.db2.gz WPFOHUCHNZWDQS-UHFFFAOYSA-N 1 0 381.339 4.282 20 0 GIADRO CCCc1cccc(C(C)C)c1NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000189961589 823518108 /nfs/dbraw/zinc/51/81/08/823518108.db2.gz PCLLUZZFNSITLQ-GOSISDBHSA-N 1 0 387.568 4.385 20 0 GIADRO O=C(Cc1coc2cc3c(cc12)CCC3)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000032462682 820949970 /nfs/dbraw/zinc/94/99/70/820949970.db2.gz KNDBTPXXJFGFIP-UHFFFAOYSA-N 1 0 388.511 4.376 20 0 GIADRO Cc1ccc(C(=O)CCC(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1C ZINC000032463408 820949982 /nfs/dbraw/zinc/94/99/82/820949982.db2.gz KLEQABQTWICEAS-UHFFFAOYSA-N 1 0 378.516 4.179 20 0 GIADRO Cc1c(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cnn1-c1ccccc1C ZINC000032464719 820950507 /nfs/dbraw/zinc/95/05/07/820950507.db2.gz KOLHTKOFYSYJRT-UHFFFAOYSA-N 1 0 388.515 4.015 20 0 GIADRO O=C(CCc1ccc(OC(F)F)cc1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000032464626 820950662 /nfs/dbraw/zinc/95/06/62/820950662.db2.gz BFSSERWZXOVAFT-UHFFFAOYSA-N 1 0 388.458 4.133 20 0 GIADRO Cc1nc(C)c([C@H](C)[NH2+]C[C@H](c2ccccc2Cl)N2CCOCC2)s1 ZINC000177723454 823516737 /nfs/dbraw/zinc/51/67/37/823516737.db2.gz MMFHVVHJMQASIX-SCLBCKFNSA-N 1 0 379.957 4.137 20 0 GIADRO CCCCO[C@@H]1C[C@@H](N(C)Cc2csc(N(C(C)=O)C3CC3)n2)C1(C)C ZINC000177735813 823518592 /nfs/dbraw/zinc/51/85/92/823518592.db2.gz JXJLADYGVVDTBN-QZTJIDSGSA-N 1 0 379.570 4.074 20 0 GIADRO CC(C)C[NH+]1CCC(NC(=O)NC(c2cccs2)c2cccs2)CC1 ZINC000123582756 823523596 /nfs/dbraw/zinc/52/35/96/823523596.db2.gz ADPNBFQAFDYEGO-UHFFFAOYSA-N 1 0 377.579 4.319 20 0 GIADRO O=C(N1CCC[N@H+](CCCc2ccccc2)CC1)C1(c2ccc(F)cc2)CC1 ZINC000060355360 823518996 /nfs/dbraw/zinc/51/89/96/823518996.db2.gz KMZRWQWYJZDYJC-UHFFFAOYSA-N 1 0 380.507 4.024 20 0 GIADRO Cc1ccc(-c2nc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cs2)o1 ZINC000032655369 820984264 /nfs/dbraw/zinc/98/42/64/820984264.db2.gz QXMTXRSUYWQXTF-UHFFFAOYSA-N 1 0 381.501 4.106 20 0 GIADRO COCCC[C@@H]([NH2+]CCc1c(C)nn(C)c1C)c1ccc(Br)cc1 ZINC000177745422 823519802 /nfs/dbraw/zinc/51/98/02/823519802.db2.gz CGUZBXWHZTYJDF-LJQANCHMSA-N 1 0 394.357 4.099 20 0 GIADRO C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)c1 ZINC000032680772 820990707 /nfs/dbraw/zinc/99/07/07/820990707.db2.gz ZUEAQMUAWNCBKJ-GHTZIAJQSA-N 1 0 397.563 4.200 20 0 GIADRO CCOc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1cccc(N3CCOC3=O)c1)CCO2 ZINC000177747977 823520041 /nfs/dbraw/zinc/52/00/41/823520041.db2.gz MMGZYZQBHMNMTR-YWZLYKJASA-N 1 0 382.460 4.216 20 0 GIADRO Cc1ccc(-c2nc(CC(=O)NCC3([NH+](C)C)CCCCCC3)cs2)o1 ZINC000032709522 820995026 /nfs/dbraw/zinc/99/50/26/820995026.db2.gz CNGLMGPMMXMOAB-UHFFFAOYSA-N 1 0 375.538 4.025 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1)c1ccc(-n2cccn2)cc1 ZINC000177749003 823520146 /nfs/dbraw/zinc/52/01/46/823520146.db2.gz WKMOOHHWZQFAHI-SJORKVTESA-N 1 0 376.460 4.241 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1csc(-c2cccs2)n1)c1cccc(F)c1 ZINC000032729770 820998500 /nfs/dbraw/zinc/99/85/00/820998500.db2.gz LZVVSNRLYWHCHM-OAHLLOKOSA-N 1 0 375.494 4.043 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)/C=C/c1ccc2ccc(Cl)cc2n1)c1cccc(F)c1 ZINC000032731292 820998755 /nfs/dbraw/zinc/99/87/55/820998755.db2.gz RUZNVDCQUYXWCD-RQWLHQTBSA-N 1 0 397.881 4.460 20 0 GIADRO C[C@@H](CNC(=O)COC(c1ccccc1)c1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000032732672 820999764 /nfs/dbraw/zinc/99/97/64/820999764.db2.gz BEIQIZHUMOYZTG-UXHICEINSA-N 1 0 380.532 4.172 20 0 GIADRO CC1CC[NH+](Cc2cccc(CNC(=O)CCc3cc(F)ccc3F)c2)CC1 ZINC000060368260 823520465 /nfs/dbraw/zinc/52/04/65/823520465.db2.gz ACWTWOVSMOPAGZ-UHFFFAOYSA-N 1 0 386.486 4.446 20 0 GIADRO CCc1ccc([C@@H](CNC(=O)c2ccccc2Br)[NH+](C)C)cc1 ZINC000032735596 821001117 /nfs/dbraw/zinc/00/11/17/821001117.db2.gz DOQYYCSYKOGNJJ-GOSISDBHSA-N 1 0 375.310 4.044 20 0 GIADRO Cc1ccc(-n2ncc(C(=O)NC[C@@H](C)[N@@H+]3CCCC[C@@H]3C)c2C(C)C)cc1 ZINC000032737438 821001311 /nfs/dbraw/zinc/00/13/11/821001311.db2.gz INTIPTYOAOHPHK-RBUKOAKNSA-N 1 0 382.552 4.297 20 0 GIADRO Cc1ccc(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)cc1NC(=O)c1ccccc1 ZINC000032737535 821001698 /nfs/dbraw/zinc/00/16/98/821001698.db2.gz FYSRGSKJVSKCIN-OALUTQOASA-N 1 0 393.531 4.240 20 0 GIADRO C[C@@H](CNC(=O)c1cccc(NC(=O)C2CCCCC2)c1)[N@@H+]1CCCC[C@H]1C ZINC000032737578 821001771 /nfs/dbraw/zinc/00/17/71/821001771.db2.gz LZANJHFQACAAPB-MSOLQXFVSA-N 1 0 385.552 4.198 20 0 GIADRO O=C(CSc1ccccc1Cl)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000032761403 821004538 /nfs/dbraw/zinc/00/45/38/821004538.db2.gz PZYOSDKGDUYRCS-OAHLLOKOSA-N 1 0 380.966 4.447 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)c1ccc(Br)s1 ZINC000177772451 823523837 /nfs/dbraw/zinc/52/38/37/823523837.db2.gz KSYLDZNFVACDEX-LBPRGKRZSA-N 1 0 377.311 4.001 20 0 GIADRO CC(C)c1c(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cnn1-c1cccc(Cl)c1 ZINC000123557638 823521226 /nfs/dbraw/zinc/52/12/26/823521226.db2.gz ZXBLGLPYEZSMHC-WBVHZDCISA-N 1 0 388.943 4.204 20 0 GIADRO Cc1ccc(-c2nc(C(=O)NCc3ccccc3C[NH+]3CCCC3)cs2)o1 ZINC000032799831 821009349 /nfs/dbraw/zinc/00/93/49/821009349.db2.gz LDEFJYNHCUCFOJ-UHFFFAOYSA-N 1 0 381.501 4.237 20 0 GIADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)CCc2cccs2)CC1 ZINC000032897690 821018174 /nfs/dbraw/zinc/01/81/74/821018174.db2.gz VEHNBXIYSCVZGI-UHFFFAOYSA-N 1 0 377.941 4.115 20 0 GIADRO C[NH+](C)Cc1ccc(NC(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)cc1 ZINC000032976836 821023934 /nfs/dbraw/zinc/02/39/34/821023934.db2.gz BANLVJDDBLGQIY-UHFFFAOYSA-N 1 0 391.446 4.392 20 0 GIADRO C[C@H](OCc1ccccc1)C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000033010043 821026225 /nfs/dbraw/zinc/02/62/25/821026225.db2.gz XRWQESFPGJQKSP-FQEVSTJZSA-N 1 0 380.532 4.140 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)COc2cc(Cl)c(Cl)cc2Cl)CC1 ZINC000060404241 823524035 /nfs/dbraw/zinc/52/40/35/823524035.db2.gz RURAXNCZNKUUDZ-UHFFFAOYSA-N 1 0 393.742 4.358 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)c2ccccc2OCc2ccc(F)cc2)c1 ZINC000033089318 821031880 /nfs/dbraw/zinc/03/18/80/821031880.db2.gz YIKOUZZRKJYJPF-UHFFFAOYSA-N 1 0 392.474 4.396 20 0 GIADRO C[C@@H]([NH2+]CCOc1ccc2ccccc2c1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000177768054 823523166 /nfs/dbraw/zinc/52/31/66/823523166.db2.gz JCYHGKKKNVDOBK-OAHLLOKOSA-N 1 0 387.476 4.112 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000060395121 823523321 /nfs/dbraw/zinc/52/33/21/823523321.db2.gz POPZJMSFYGSYLL-UHFFFAOYSA-N 1 0 389.540 4.450 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)CC1 ZINC000060394887 823523419 /nfs/dbraw/zinc/52/34/19/823523419.db2.gz SZAPAYVMEQJXBI-MSOLQXFVSA-N 1 0 382.470 4.388 20 0 GIADRO CC1CC[NH+](Cc2ccccc2CNC(=O)C2=Cc3ccccc3OC2)CC1 ZINC000060441158 823528002 /nfs/dbraw/zinc/52/80/02/823528002.db2.gz FDKHWTODDWKNBI-UHFFFAOYSA-N 1 0 376.500 4.011 20 0 GIADRO CC(C)c1cccc(C(C)C)c1NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000190034368 823528838 /nfs/dbraw/zinc/52/88/38/823528838.db2.gz LIUNMFJJAHHCDB-QGZVFWFLSA-N 1 0 375.557 4.242 20 0 GIADRO C[C@@H]([NH2+]C[C@H](c1cccc(F)c1)N1CCOCC1)c1ccc2ccccc2n1 ZINC000177810274 823528900 /nfs/dbraw/zinc/52/89/00/823528900.db2.gz UKPAZVSXNLTFSL-UZUQRXQVSA-N 1 0 379.479 4.098 20 0 GIADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)o1 ZINC000060407359 823524334 /nfs/dbraw/zinc/52/43/34/823524334.db2.gz GWMVGEWZVVORHL-MSOLQXFVSA-N 1 0 394.437 4.301 20 0 GIADRO CCOC1CC(CCNC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000190004086 823524356 /nfs/dbraw/zinc/52/43/56/823524356.db2.gz RVEONSLGGIZWSI-PGFLUOATSA-N 1 0 387.568 4.065 20 0 GIADRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cn3cncn3)cc2)c2cccc(Br)c21 ZINC000177776039 823524579 /nfs/dbraw/zinc/52/45/79/823524579.db2.gz GKERCBOWAVYQKR-AUUYWEPGSA-N 1 0 397.320 4.427 20 0 GIADRO CCCc1noc2nc(C3CC3)cc(C(=O)NC[C@H](C)[N@@H+]3CCCC[C@H]3C)c12 ZINC000060412901 823524634 /nfs/dbraw/zinc/52/46/34/823524634.db2.gz BNCVTJZTHJLUKH-CABCVRRESA-N 1 0 384.524 4.045 20 0 GIADRO Cc1nn(C)cc1[C@H](C)[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000177779104 823525006 /nfs/dbraw/zinc/52/50/06/823525006.db2.gz VJNOMAVCVFTLQZ-SFHVURJKSA-N 1 0 385.515 4.491 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000036883750 821089164 /nfs/dbraw/zinc/08/91/64/821089164.db2.gz LCTSATYXLGBFLO-JOCHJYFZSA-N 1 0 388.515 4.056 20 0 GIADRO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000038637789 821098635 /nfs/dbraw/zinc/09/86/35/821098635.db2.gz SEFVNUXBMDFXFG-ZDUSSCGKSA-N 1 0 375.822 4.451 20 0 GIADRO O=C(Cc1csc(-c2cccs2)n1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000039535835 821110510 /nfs/dbraw/zinc/11/05/10/821110510.db2.gz ZJJDZIJPIVOFSP-UHFFFAOYSA-N 1 0 397.569 4.149 20 0 GIADRO C[C@H]1CCC[C@@](CNC(=S)Nc2cccc(Br)c2)([NH+](C)C)C1 ZINC000060431501 823526779 /nfs/dbraw/zinc/52/67/79/823526779.db2.gz BYGLWDYTSSSISY-SUMWQHHRSA-N 1 0 384.387 4.246 20 0 GIADRO Clc1nc(Sc2ccccc2)sc1C[NH2+]CCCOC[C@@H]1CCOC1 ZINC000123682287 823531494 /nfs/dbraw/zinc/53/14/94/823531494.db2.gz LIDOMIMDRNRGOA-AWEZNQCLSA-N 1 0 398.981 4.481 20 0 GIADRO Cc1ccccc1C[N@@H+]1CCCN(C[C@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000060468424 823531526 /nfs/dbraw/zinc/53/15/26/823531526.db2.gz YCFWWOBIGMUNMK-NRFANRHFSA-N 1 0 392.465 4.255 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Nc1cccnc1Oc1ccccc1)c1cccs1 ZINC000040121147 821142596 /nfs/dbraw/zinc/14/25/96/821142596.db2.gz DNLJPDUXJCUHCB-KRWDZBQOSA-N 1 0 382.489 4.360 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CCOc2ccccc2F)C1 ZINC000060475162 823532176 /nfs/dbraw/zinc/53/21/76/823532176.db2.gz HOYJMRZFJBCTQU-GOSISDBHSA-N 1 0 384.495 4.143 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@H]2Cc3ccccc3S2)C1 ZINC000060475140 823532213 /nfs/dbraw/zinc/53/22/13/823532213.db2.gz IWRZRODHXBBYTB-VGOFRKELSA-N 1 0 380.557 4.252 20 0 GIADRO CCOc1ccc(C(=O)N2CCC([NH2+][C@H](C)c3sc(C)nc3C)CC2)cc1 ZINC000177829303 823532420 /nfs/dbraw/zinc/53/24/20/823532420.db2.gz NSLRPGHXYOMVDX-OAHLLOKOSA-N 1 0 387.549 4.114 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]Cc1ccccc1-n1ccnc1 ZINC000123702269 823533105 /nfs/dbraw/zinc/53/31/05/823533105.db2.gz LSXMEOGMWGMYBQ-HNNXBMFYSA-N 1 0 398.894 4.041 20 0 GIADRO Cc1ccc([C@H](CNC(=O)c2ccc3nc(C)c(C)nc3c2)[NH+]2CCCC2)cc1 ZINC000040654364 821163319 /nfs/dbraw/zinc/16/33/19/821163319.db2.gz NSWMULRMVCAVQZ-QHCPKHFHSA-N 1 0 388.515 4.122 20 0 GIADRO CC(C)c1nn(-c2ccccc2)c(Cl)c1C[NH2+]CCCOC[C@H]1CCOC1 ZINC000123709639 823534000 /nfs/dbraw/zinc/53/40/00/823534000.db2.gz GOAZTZCJZZZGHQ-QGZVFWFLSA-N 1 0 391.943 4.182 20 0 GIADRO Brc1ccccc1-c1noc([C@H]2CCC[N@@H+]2CC[C@@H]2CCCO2)n1 ZINC000190073295 823534002 /nfs/dbraw/zinc/53/40/02/823534002.db2.gz WWUJDUVJEYKVFE-XJKSGUPXSA-N 1 0 392.297 4.205 20 0 GIADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C2(Cc3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC000190086806 823535801 /nfs/dbraw/zinc/53/58/01/823535801.db2.gz UEQIJNAEHUWFBI-KRWDZBQOSA-N 1 0 398.469 4.002 20 0 GIADRO C[C@H]([NH2+]Cc1ccnc(N2CCCC2)c1)c1cc(Br)ccc1F ZINC000177838538 823534264 /nfs/dbraw/zinc/53/42/64/823534264.db2.gz REHLCRZKDZYYEV-ZDUSSCGKSA-N 1 0 378.289 4.434 20 0 GIADRO Cc1csc(-c2cccc(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)c2)n1 ZINC000041308891 821181652 /nfs/dbraw/zinc/18/16/52/821181652.db2.gz TUGGXMHUZJRRID-SFHVURJKSA-N 1 0 381.501 4.278 20 0 GIADRO CCC[N@@H+](CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)CC1CCCCC1 ZINC000060495459 823534539 /nfs/dbraw/zinc/53/45/39/823534539.db2.gz WWMLXZACJSDKFT-UHFFFAOYSA-N 1 0 399.579 4.156 20 0 GIADRO CC(=O)Nc1cccc(C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)c1C ZINC000190085441 823535852 /nfs/dbraw/zinc/53/58/52/823535852.db2.gz MYRLOBQLJMXZIM-UHFFFAOYSA-N 1 0 393.531 4.115 20 0 GIADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1cccc2ccn(C)c21 ZINC000190076617 823534611 /nfs/dbraw/zinc/53/46/11/823534611.db2.gz ABDKQPCJXLQHJF-FQEVSTJZSA-N 1 0 391.519 4.092 20 0 GIADRO CC(C)[C@@H](CNC(=O)CCc1ncc(-c2ccccc2)o1)[NH+]1CCC(C)CC1 ZINC000041401388 821188940 /nfs/dbraw/zinc/18/89/40/821188940.db2.gz UNEYLBITTRMHNP-HXUWFJFHSA-N 1 0 383.536 4.147 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Cc1coc(-c2ccccc2)n1)c1ccsc1 ZINC000041441181 821192642 /nfs/dbraw/zinc/19/26/42/821192642.db2.gz NJEVFRPGZLEELQ-LJQANCHMSA-N 1 0 383.517 4.145 20 0 GIADRO COc1ccc(CNC(=S)C(C(=O)c2ccc(C)cc2)[n+]2ccccc2)cc1 ZINC000041465888 821194770 /nfs/dbraw/zinc/19/47/70/821194770.db2.gz YYEQMUKFSCMKDK-UHFFFAOYSA-O 1 0 391.516 4.020 20 0 GIADRO CCS[C@@H]1CCCC[C@H]1[NH2+]Cc1csc(-c2ccc(C(N)=O)cc2)n1 ZINC000190047845 823530276 /nfs/dbraw/zinc/53/02/76/823530276.db2.gz WLXOWVAVGLRJFJ-IAGOWNOFSA-N 1 0 375.563 4.063 20 0 GIADRO C[N@@H+]1CC[C@H](CNC(=O)c2ccc3cc[nH]c3c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123742415 823536504 /nfs/dbraw/zinc/53/65/04/823536504.db2.gz XOFFKUCMDFZAGE-UZLBHIALSA-N 1 0 385.870 4.383 20 0 GIADRO Cc1ccc(Br)cc1C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000460890494 823536609 /nfs/dbraw/zinc/53/66/09/823536609.db2.gz VOWAUZBZMBXUNC-QGZVFWFLSA-N 1 0 393.369 4.342 20 0 GIADRO CCNC(=O)c1cccc(C[NH2+][C@H](C)c2sc(-c3cccnc3)nc2C)c1 ZINC000177883011 823540836 /nfs/dbraw/zinc/54/08/36/823540836.db2.gz XFTKTTFMJFBWKA-CQSZACIVSA-N 1 0 380.517 4.114 20 0 GIADRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)CC1 ZINC000041577826 821213067 /nfs/dbraw/zinc/21/30/67/821213067.db2.gz OHOYNMXFAHHMRY-UHFFFAOYSA-N 1 0 391.437 4.095 20 0 GIADRO Cc1cc([C@H](C)NC(=O)C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)c(C)s1 ZINC000041761059 821224360 /nfs/dbraw/zinc/22/43/60/821224360.db2.gz LKGRPJRZYHAJPZ-INIZCTEOSA-N 1 0 399.560 4.167 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(Cl)s1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000177862419 823537971 /nfs/dbraw/zinc/53/79/71/823537971.db2.gz ANUBADCDGSUIRD-AWEZNQCLSA-N 1 0 398.981 4.427 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccccc1N(C)C(=O)c1cccs1 ZINC000041822728 821234141 /nfs/dbraw/zinc/23/41/41/821234141.db2.gz ZBXAHDUFLJRKDM-QGZVFWFLSA-N 1 0 399.560 4.019 20 0 GIADRO C[C@@H](C[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1)N1CCc2sccc2C1 ZINC000177864276 823538145 /nfs/dbraw/zinc/53/81/45/823538145.db2.gz BGGBTNOYSDCNMW-HOTGVXAUSA-N 1 0 398.576 4.129 20 0 GIADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc(OCc4ccccc4)cc3)CC[C@@H]21 ZINC000177867126 823538724 /nfs/dbraw/zinc/53/87/24/823538724.db2.gz LJKWRPHNWAMOCQ-KNQAVFIVSA-N 1 0 379.504 4.214 20 0 GIADRO CC(C)[N@H+](C)CCCNC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000041929077 821245842 /nfs/dbraw/zinc/24/58/42/821245842.db2.gz XRIQJZPELLGFJW-UHFFFAOYSA-N 1 0 399.482 4.218 20 0 GIADRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(NC(=O)CC(C)C)c(F)c1 ZINC000460902347 823538859 /nfs/dbraw/zinc/53/88/59/823538859.db2.gz FGKMAWZCGCWKDG-GOSISDBHSA-N 1 0 391.531 4.195 20 0 GIADRO Cc1cccc(N2CC[NH+](Cc3ccc(NC(=O)CC(F)(F)F)cc3)CC2)c1 ZINC000041972334 821251021 /nfs/dbraw/zinc/25/10/21/821251021.db2.gz XRFAXQCFQBDEBH-UHFFFAOYSA-N 1 0 391.437 4.208 20 0 GIADRO COc1cc(CN(C)C(=O)NCC2([NH+](C)C)CCCCCC2)ccc1SC ZINC000060533207 823539149 /nfs/dbraw/zinc/53/91/49/823539149.db2.gz MBSVLKBTZGECEV-UHFFFAOYSA-N 1 0 393.597 4.213 20 0 GIADRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CC(=O)NCc3ccccc3)s2)cc1 ZINC000177873962 823539535 /nfs/dbraw/zinc/53/95/35/823539535.db2.gz OWULGRBJORBDOA-OAHLLOKOSA-N 1 0 395.528 4.094 20 0 GIADRO CC[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1c(C)noc1C ZINC000123777105 823539852 /nfs/dbraw/zinc/53/98/52/823539852.db2.gz ZUNXQXSGDRQEST-HBGVWJBISA-N 1 0 398.551 4.437 20 0 GIADRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3cc(C)n(C(C)C)c3C)cc2)CC1 ZINC000060551549 823541321 /nfs/dbraw/zinc/54/13/21/823541321.db2.gz FHXZILDTAQFDBR-UHFFFAOYSA-N 1 0 382.552 4.076 20 0 GIADRO Cc1ccc(C2=CC[N@H+](Cc3cc(=O)n4c5ccccc5[nH]c4c3C#N)CC2)cc1 ZINC000042122491 821269731 /nfs/dbraw/zinc/26/97/31/821269731.db2.gz XMYBBEMTJOMHLE-OAQYLSRUSA-N 1 0 394.478 4.321 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3cnc(Cl)c(Cl)c3)c(C)c2)CC1 ZINC000042158180 821276797 /nfs/dbraw/zinc/27/67/97/821276797.db2.gz MQKBMEQWHVWVHL-UHFFFAOYSA-N 1 0 393.318 4.091 20 0 GIADRO CC1(C)CC(NC(=O)CCCOc2ccccc2Br)CC(C)(C)[NH2+]1 ZINC000042196605 821282468 /nfs/dbraw/zinc/28/24/68/821282468.db2.gz RKAMQEAPZWFFGG-UHFFFAOYSA-N 1 0 397.357 4.034 20 0 GIADRO COc1ccc([C@@H](O)C[NH2+]Cc2c(C)nn(Cc3ccc(C)cc3)c2Cl)cc1 ZINC000042202500 821283294 /nfs/dbraw/zinc/28/32/94/821283294.db2.gz PPWCENCPQFFBCD-NRFANRHFSA-N 1 0 399.922 4.033 20 0 GIADRO O[C@H](C[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1)COc1ccccc1 ZINC000042203323 821283496 /nfs/dbraw/zinc/28/34/96/821283496.db2.gz QJVZMKBUMQJGJT-OAHLLOKOSA-N 1 0 380.469 4.086 20 0 GIADRO O=C(C1CC1)N1CCC([NH2+]Cc2ccc(OCc3ccc(Cl)cc3)cc2)CC1 ZINC000042209435 821284969 /nfs/dbraw/zinc/28/49/69/821284969.db2.gz BOEBRMHOFANEAP-UHFFFAOYSA-N 1 0 398.934 4.410 20 0 GIADRO CN(C)c1ccc(C[NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)cn1 ZINC000042227336 821288018 /nfs/dbraw/zinc/28/80/18/821288018.db2.gz NNOXSJGLONLSCJ-UHFFFAOYSA-N 1 0 382.895 4.065 20 0 GIADRO Cc1csc(CC[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)n1 ZINC000042228518 821288298 /nfs/dbraw/zinc/28/82/98/821288298.db2.gz RUSBFIAIJORMTQ-UHFFFAOYSA-N 1 0 375.501 4.032 20 0 GIADRO CC(C)c1ccc(SCC(=O)Nc2ccccc2N2CC[NH+](C)CC2)cc1 ZINC000042389528 821306373 /nfs/dbraw/zinc/30/63/73/821306373.db2.gz HIXUKLPGIQWFCY-UHFFFAOYSA-N 1 0 383.561 4.293 20 0 GIADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1sc2cccc(F)c2c1COC ZINC000042537037 821309713 /nfs/dbraw/zinc/30/97/13/821309713.db2.gz NWKYCIUCXBPGIE-CQSZACIVSA-N 1 0 380.529 4.427 20 0 GIADRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1sc2cccc(F)c2c1COC ZINC000042537039 821309912 /nfs/dbraw/zinc/30/99/12/821309912.db2.gz NWKYCIUCXBPGIE-AWEZNQCLSA-N 1 0 380.529 4.427 20 0 GIADRO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(OCc2ccccc2)CC1 ZINC000042563666 821310120 /nfs/dbraw/zinc/31/01/20/821310120.db2.gz PQACVRSHPVLHEW-VQTJNVASSA-N 1 0 380.532 4.242 20 0 GIADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1 ZINC000042538962 821310285 /nfs/dbraw/zinc/31/02/85/821310285.db2.gz CXYKQGNSYKFINW-OAHLLOKOSA-N 1 0 393.478 4.179 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)C1(c2cccc(Br)c2)CC1)C1CCCCC1 ZINC000060552995 823541559 /nfs/dbraw/zinc/54/15/59/823541559.db2.gz LSXSFYCTZFSYAV-SFHVURJKSA-N 1 0 393.369 4.107 20 0 GIADRO CCc1ccc([C@H](NC(=O)C[N@H+](C[C@@H]2CCOC2)C2CC2)c2cccs2)cc1 ZINC000123794594 823541552 /nfs/dbraw/zinc/54/15/52/823541552.db2.gz QHXYYJNCGGVFRM-MBSDFSHPSA-N 1 0 398.572 4.017 20 0 GIADRO COc1ccc(-c2nc(CN3CCC[N@H+](Cc4ccc(F)cc4)CC3)co2)cc1 ZINC000042760257 821331740 /nfs/dbraw/zinc/33/17/40/821331740.db2.gz DQHAQYVXXYDHHI-UHFFFAOYSA-N 1 0 395.478 4.197 20 0 GIADRO COc1ccc([C@H](CNC(=O)N(Cc2cccs2)C2CC2)[NH+]2CCCC2)cc1 ZINC000043111206 821362521 /nfs/dbraw/zinc/36/25/21/821362521.db2.gz SAOXPMVSJXTFEN-NRFANRHFSA-N 1 0 399.560 4.268 20 0 GIADRO CC(C)[NH+]1CCC(N(C)C(=O)CSc2cc(Cl)ccc2Cl)CC1 ZINC000043113322 821362922 /nfs/dbraw/zinc/36/29/22/821362922.db2.gz HPZBOPWDVRXFTM-UHFFFAOYSA-N 1 0 375.365 4.417 20 0 GIADRO CC(C)[NH+]1CCC(N(C)C(=O)c2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000043114093 821363149 /nfs/dbraw/zinc/36/31/49/821363149.db2.gz QSBVALLVGMOMIM-UHFFFAOYSA-N 1 0 377.941 4.408 20 0 GIADRO COc1ccc(F)cc1[C@@H](C)NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000043136004 821366088 /nfs/dbraw/zinc/36/60/88/821366088.db2.gz PCSJYWZQUZCNQE-QAPCUYQASA-N 1 0 389.471 4.015 20 0 GIADRO CCc1cccc(C)c1NC(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000043156210 821369546 /nfs/dbraw/zinc/36/95/46/821369546.db2.gz CYNOMXWNOZVACA-JOCHJYFZSA-N 1 0 394.563 4.058 20 0 GIADRO CCc1cccc(C)c1NC(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1 ZINC000043156440 821370021 /nfs/dbraw/zinc/37/00/21/821370021.db2.gz JNSLRSLMUYRQKD-UHFFFAOYSA-N 1 0 381.520 4.306 20 0 GIADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)Nc1ccccc1C(F)(F)F ZINC000043158411 821370540 /nfs/dbraw/zinc/37/05/40/821370540.db2.gz XRKHEKUIPIKEDP-UHFFFAOYSA-N 1 0 387.471 4.189 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N[C@@H](c1ccco1)c1ccccc1 ZINC000043167504 821372418 /nfs/dbraw/zinc/37/24/18/821372418.db2.gz JEMILUKIQVKQLB-WIYYLYMNSA-N 1 0 379.460 4.098 20 0 GIADRO CC(C)[NH+]1CCC(NC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)CC1 ZINC000043168261 821372879 /nfs/dbraw/zinc/37/28/79/821372879.db2.gz UGHYWKCEKQTAJI-QHCPKHFHSA-N 1 0 377.532 4.217 20 0 GIADRO COc1ccc(C[N@@H+]2CCCN(C(=O)Nc3cccc(Cl)c3C)CC2)cc1 ZINC000043174528 821373844 /nfs/dbraw/zinc/37/38/44/821373844.db2.gz MZBFBSYPRSABIO-UHFFFAOYSA-N 1 0 387.911 4.397 20 0 GIADRO CCc1cccc(CC)c1NC(=O)[C@H](C)N1CCC[C@H](c2nncn2C(C)C)C1 ZINC000180632190 821375598 /nfs/dbraw/zinc/37/55/98/821375598.db2.gz JLKCRGJILVWELO-PXNSSMCTSA-N 1 0 397.567 4.190 20 0 GIADRO CC[C@@H]([NH2+]Cc1cccc(SC(=O)N(C)C)c1)c1ccc2c(c1)OCCO2 ZINC000180640302 821378725 /nfs/dbraw/zinc/37/87/25/821378725.db2.gz OTDMMLGDXRSEGT-GOSISDBHSA-N 1 0 386.517 4.472 20 0 GIADRO Cc1cccc(N2CC[NH+](CCCCNC(=O)Nc3cc(F)ccc3C)CC2)c1 ZINC000043277085 821386024 /nfs/dbraw/zinc/38/60/24/821386024.db2.gz PSMZBEVLCODCKE-UHFFFAOYSA-N 1 0 398.526 4.166 20 0 GIADRO COc1cc2c(cc1NC(=O)NC1CC[NH+](C3CC3)CC1)oc1ccccc12 ZINC000043278878 821386246 /nfs/dbraw/zinc/38/62/46/821386246.db2.gz UPRNNQOEXWUHTA-UHFFFAOYSA-N 1 0 379.460 4.343 20 0 GIADRO COC(=O)CC[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1)c1ccccc1 ZINC000180667405 821388056 /nfs/dbraw/zinc/38/80/56/821388056.db2.gz FTILLXCKGGWWBX-LAUBAEHRSA-N 1 0 380.488 4.159 20 0 GIADRO C[NH+](C)CCCN(C(=O)c1cccc(F)n1)C(c1ccccc1)c1ccccc1 ZINC000180668363 821388909 /nfs/dbraw/zinc/38/89/09/821388909.db2.gz KLPHFVNUMGUQCK-UHFFFAOYSA-N 1 0 391.490 4.404 20 0 GIADRO COc1cccc([C@@H](CNC(=O)N(C)[C@H]2CCc3ccccc32)[NH+]2CCCC2)c1 ZINC000043306936 821389307 /nfs/dbraw/zinc/38/93/07/821389307.db2.gz AFHQYOINOBRZAE-XZOQPEGZSA-N 1 0 393.531 4.161 20 0 GIADRO C[C@H]([NH2+]CC1(c2ccccc2Cl)CCOCC1)c1ccc(-n2cncn2)cc1 ZINC000180676643 821391644 /nfs/dbraw/zinc/39/16/44/821391644.db2.gz PYUKDBCRIZHTQS-KRWDZBQOSA-N 1 0 396.922 4.320 20 0 GIADRO CN(C)c1cc(C[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)c2ccccc2n1 ZINC000180687254 821395126 /nfs/dbraw/zinc/39/51/26/821395126.db2.gz KBBGIZOFZFGBNF-UHFFFAOYSA-N 1 0 398.551 4.226 20 0 GIADRO CSC(C)(C)C[NH2+][C@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000180686894 821395220 /nfs/dbraw/zinc/39/52/20/821395220.db2.gz XQVXOZQRUBBWNN-LJQANCHMSA-N 1 0 377.575 4.219 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1)c1ccc(N2CCCC2=O)cc1 ZINC000180689257 821396093 /nfs/dbraw/zinc/39/60/93/821396093.db2.gz HZIMAAGMCXBNLH-AUUYWEPGSA-N 1 0 392.421 4.216 20 0 GIADRO Cc1cccc(C)c1NC(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000043357967 821396924 /nfs/dbraw/zinc/39/69/24/821396924.db2.gz AXQNKQNHZQZHQL-RTBURBONSA-N 1 0 381.520 4.234 20 0 GIADRO C[C@@H](NC[C@@H](O)c1cccc(C(F)(F)F)c1)c1ncc(Br)s1 ZINC000180691519 821397343 /nfs/dbraw/zinc/39/73/43/821397343.db2.gz SPQAQSXAUBBYAH-LDYMZIIASA-N 1 0 395.244 4.309 20 0 GIADRO CC(C)(C)OC(=O)NC1CCC([NH2+]Cc2cccc(OCC(F)F)c2)CC1 ZINC000180695243 821399404 /nfs/dbraw/zinc/39/94/04/821399404.db2.gz JFJYARVSLPOVKT-UHFFFAOYSA-N 1 0 384.467 4.256 20 0 GIADRO O[C@]1(C[NH2+][C@H](c2ccccc2)c2ccc(Br)cc2F)CCSC1 ZINC000180703376 821405066 /nfs/dbraw/zinc/40/50/66/821405066.db2.gz JGRHNVPSQJPAPX-MSOLQXFVSA-N 1 0 396.325 4.135 20 0 GIADRO CCOc1ccc(NC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)cc1OCC ZINC000043417261 821405381 /nfs/dbraw/zinc/40/53/81/821405381.db2.gz MXRIAJGWYSYNFC-SFHVURJKSA-N 1 0 389.471 4.048 20 0 GIADRO C[C@@H]([NH2+]CCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(-n2ccnc2)cc1 ZINC000180706978 821407813 /nfs/dbraw/zinc/40/78/13/821407813.db2.gz TWQMZUBSNMKMDP-OAHLLOKOSA-N 1 0 393.878 4.469 20 0 GIADRO CCOc1cccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(C)cc2Br)c1 ZINC000180708957 821409551 /nfs/dbraw/zinc/40/95/51/821409551.db2.gz SDDJNQPULJJJKY-CQSZACIVSA-N 1 0 391.309 4.446 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[N@H+](C)CCCNC(=O)C(F)(F)F ZINC000180713142 821412194 /nfs/dbraw/zinc/41/21/94/821412194.db2.gz MVLZNGDZOVPGIE-CYBMUJFWSA-N 1 0 385.455 4.180 20 0 GIADRO CC(C)[C@H](CSc1ccccc1)[NH2+]Cc1ccccc1CS(C)(=O)=O ZINC000180716190 821414762 /nfs/dbraw/zinc/41/47/62/821414762.db2.gz DQHDPURGWDSPSZ-FQEVSTJZSA-N 1 0 377.575 4.138 20 0 GIADRO Cc1cc([C@@H](C)NC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)c(C)s1 ZINC000043490331 821416004 /nfs/dbraw/zinc/41/60/04/821416004.db2.gz VVEHYKAYQROSKF-MRXNPFEDSA-N 1 0 386.565 4.308 20 0 GIADRO Cn1cc([C@@H]([NH2+][C@H]2CCN(c3cccc(Cl)c3)C2)c2cccc(F)c2)cn1 ZINC000180727323 821420275 /nfs/dbraw/zinc/42/02/75/821420275.db2.gz VEFAYKGEBNCYBV-FPOVZHCZSA-N 1 0 384.886 4.171 20 0 GIADRO C[C@@H](NCC1([NH+]2CCCCC2)CCOCC1)c1ccc(F)cc1Br ZINC000180740172 821427714 /nfs/dbraw/zinc/42/77/14/821427714.db2.gz MEQCNWSNRKOWCR-OAHLLOKOSA-N 1 0 399.348 4.274 20 0 GIADRO CCOc1ccc([C@H](C)NC(=O)Nc2ccccc2N2CC[NH+](CC)CC2)cc1 ZINC000043574711 821429138 /nfs/dbraw/zinc/42/91/38/821429138.db2.gz PMVJUTQBNLOLGM-SFHVURJKSA-N 1 0 396.535 4.110 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)N(C)Cc2ccc(F)cc2F)cc1 ZINC000043628694 821432770 /nfs/dbraw/zinc/43/27/70/821432770.db2.gz UCVLBTXYMVTUER-UHFFFAOYSA-N 1 0 375.463 4.148 20 0 GIADRO CN(Cc1ccc(F)cc1F)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000043634653 821433097 /nfs/dbraw/zinc/43/30/97/821433097.db2.gz CLVHZNKMQSLSJO-UHFFFAOYSA-N 1 0 387.474 4.292 20 0 GIADRO CS(=O)(=O)c1cccc([C@@H]([NH2+]C[C@H]2CCCS2)c2ccc(Cl)cc2)c1 ZINC000180753140 821434819 /nfs/dbraw/zinc/43/48/19/821434819.db2.gz LUJWNFFWQZIFRN-MJGOQNOKSA-N 1 0 395.977 4.318 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)c1 ZINC000043655524 821437267 /nfs/dbraw/zinc/43/72/67/821437267.db2.gz ZENSDJCNYWIMEZ-UHFFFAOYSA-N 1 0 394.519 4.199 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)c2cccc(NC(=O)C3CC3)c2)CC1 ZINC000180758419 821437846 /nfs/dbraw/zinc/43/78/46/821437846.db2.gz XDGWLQMDQOQGRD-UHFFFAOYSA-N 1 0 385.552 4.009 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)c2ccc(C)nc2Br)CC1 ZINC000180758492 821438050 /nfs/dbraw/zinc/43/80/50/821438050.db2.gz JGRITGNYPNCBQI-UHFFFAOYSA-N 1 0 396.373 4.127 20 0 GIADRO CC[NH+](CC)CCN(CC(C)C)C(=O)Nc1ccc(NC(=O)C(C)C)cc1 ZINC000043673557 821439519 /nfs/dbraw/zinc/43/95/19/821439519.db2.gz XYMPIAZMLYETIX-UHFFFAOYSA-N 1 0 376.545 4.113 20 0 GIADRO C[C@H]([NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1)C(=O)Nc1ccccc1 ZINC000180762035 821440827 /nfs/dbraw/zinc/44/08/27/821440827.db2.gz LIEJJWADRAJCAI-HNNXBMFYSA-N 1 0 389.902 4.060 20 0 GIADRO CC[NH+](CC)CCOc1ccc(NC(=O)c2ccccc2Br)cc1 ZINC000043686916 821441234 /nfs/dbraw/zinc/44/12/34/821441234.db2.gz KRDJNSSKOWMYRZ-UHFFFAOYSA-N 1 0 391.309 4.422 20 0 GIADRO CC[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1ccc2cc(OC)ccc2c1 ZINC000180767722 821443846 /nfs/dbraw/zinc/44/38/46/821443846.db2.gz YXFUOJGKRPFNPP-ROUUACIJSA-N 1 0 380.410 4.052 20 0 GIADRO CCN(CC)C(=O)CCC1CC[NH+](Cc2cn(-c3ccccc3)nc2C)CC1 ZINC000180770163 821445368 /nfs/dbraw/zinc/44/53/68/821445368.db2.gz LRYMXHXYKHFRRQ-UHFFFAOYSA-N 1 0 382.552 4.041 20 0 GIADRO CCN(CC)C(=O)CCC1CC[NH+](Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000180771521 821446130 /nfs/dbraw/zinc/44/61/30/821446130.db2.gz FJCYAJNAHPLUMG-UHFFFAOYSA-N 1 0 386.515 4.076 20 0 GIADRO CCN(CC)C(=O)CCC1CC[NH+](Cc2cnc(C)n2-c2ccccc2)CC1 ZINC000180772038 821446366 /nfs/dbraw/zinc/44/63/66/821446366.db2.gz OWJJLTMWILODON-UHFFFAOYSA-N 1 0 382.552 4.041 20 0 GIADRO CCN(CC)C(=O)CCC1CC[NH+](Cc2c(F)cccc2N2CCCC2)CC1 ZINC000180772292 821446757 /nfs/dbraw/zinc/44/67/57/821446757.db2.gz ZTJOIAYJMLFTQG-UHFFFAOYSA-N 1 0 389.559 4.287 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)CCc1ccc(Cl)cc1Cl)c1cccc(F)c1 ZINC000043729295 821448237 /nfs/dbraw/zinc/44/82/37/821448237.db2.gz ZQROXFZUUSCWMP-GOSISDBHSA-N 1 0 383.294 4.484 20 0 GIADRO CCc1ccc([C@H](CNC(=O)c2csc(Br)c2)[NH+](C)C)cc1 ZINC000043729092 821448302 /nfs/dbraw/zinc/44/83/02/821448302.db2.gz ZTLKIYBZBNITLL-HNNXBMFYSA-N 1 0 381.339 4.106 20 0 GIADRO Cn1c2ccc(C(F)(F)F)cc2nc1CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000180782753 821455251 /nfs/dbraw/zinc/45/52/51/821455251.db2.gz RNNQUSLUXOSGFE-RDTXWAMCSA-N 1 0 392.469 4.041 20 0 GIADRO O=C(COc1ccccc1C(F)(F)F)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000043802302 821460855 /nfs/dbraw/zinc/46/08/55/821460855.db2.gz KEQJVACRPXFBJZ-MRXNPFEDSA-N 1 0 396.409 4.021 20 0 GIADRO Cc1cc(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)nn1-c1ccc(F)cc1 ZINC000180812689 821473767 /nfs/dbraw/zinc/47/37/67/821473767.db2.gz ODSAAGOCURRICX-UHFFFAOYSA-N 1 0 398.526 4.048 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NCc1cccc(COCc2ccco2)c1 ZINC000043860274 821474954 /nfs/dbraw/zinc/47/49/54/821474954.db2.gz LDODFKJOTMTCPJ-LJQANCHMSA-N 1 0 399.535 4.060 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)N[C@H](C)c2cc(OC)ccc2OC)c1 ZINC000043877820 821482225 /nfs/dbraw/zinc/48/22/25/821482225.db2.gz ILKGLLCDCKKSEH-QGZVFWFLSA-N 1 0 399.535 4.106 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(SC(=O)N(C)C)c1)c1ccc(-n2cccn2)cc1 ZINC000180843840 821490651 /nfs/dbraw/zinc/49/06/51/821490651.db2.gz ZGGOKWXIXFXYDE-INIZCTEOSA-N 1 0 380.517 4.497 20 0 GIADRO CC[NH+]1CCN(c2ccc(NCc3c[nH]nc3-c3ccc(C)o3)c(C)c2)CC1 ZINC000180845955 821491309 /nfs/dbraw/zinc/49/13/09/821491309.db2.gz DEDTUBSFGZGFMS-UHFFFAOYSA-N 1 0 379.508 4.041 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1ccccc1OCC(F)(F)F)c1ccsc1 ZINC000043958844 821495245 /nfs/dbraw/zinc/49/52/45/821495245.db2.gz OZMWKAMVUROGJV-CQSZACIVSA-N 1 0 387.427 4.114 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180855325 821496988 /nfs/dbraw/zinc/49/69/88/821496988.db2.gz JAZWUYGBSZNYDC-QFBILLFUSA-N 1 0 395.551 4.264 20 0 GIADRO C[C@@H](NC(=O)Nc1ccc(OC(F)(F)F)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180864689 821501138 /nfs/dbraw/zinc/50/11/38/821501138.db2.gz TZZBSNYXJLRMML-ZIAGYGMSSA-N 1 0 385.430 4.360 20 0 GIADRO C[C@@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000180868764 821503650 /nfs/dbraw/zinc/50/36/50/821503650.db2.gz BPPFABNCXBVKMC-ZFWWWQNUSA-N 1 0 375.314 4.316 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)Nc1cccc(OC(F)(F)F)c1 ZINC000044018105 821504678 /nfs/dbraw/zinc/50/46/78/821504678.db2.gz JYQAWBNJUWJNBU-HNNXBMFYSA-N 1 0 383.370 4.137 20 0 GIADRO O=C(NC1CC[NH+](C2CCCC2)CC1)N[C@@H]1CCCOc2c(Cl)cccc21 ZINC000180877220 821507913 /nfs/dbraw/zinc/50/79/13/821507913.db2.gz VJYQEYZLUDFEMB-LJQANCHMSA-N 1 0 391.943 4.260 20 0 GIADRO COc1cccc([C@H](CNC(=S)Nc2ccc3ccccc3c2)[NH+](C)C)c1 ZINC000044055849 821513283 /nfs/dbraw/zinc/51/32/83/821513283.db2.gz AQJRCYOMYFHGBH-NRFANRHFSA-N 1 0 379.529 4.438 20 0 GIADRO C[C@H]([NH2+]CCCO[C@H]1CCCc2ccccc21)c1ccc(S(C)(=O)=O)cc1 ZINC000180889437 821517053 /nfs/dbraw/zinc/51/70/53/821517053.db2.gz ITZURJUECXNIOO-JTSKRJEESA-N 1 0 387.545 4.225 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Nc1cccc(NC(=O)C(C)C)c1)CC(C)C ZINC000044083673 821519527 /nfs/dbraw/zinc/51/95/27/821519527.db2.gz WIYQURITJSVHPN-IBGZPJMESA-N 1 0 376.545 4.159 20 0 GIADRO CC(C)C(=O)Nc1cccc(NC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)c1 ZINC000044083855 821519578 /nfs/dbraw/zinc/51/95/78/821519578.db2.gz PLCIABKDSUHTHJ-UHFFFAOYSA-N 1 0 394.519 4.021 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(c2c(F)cccc2F)C1=O)c1ccc(-c2ccncc2)cc1 ZINC000180897264 821522251 /nfs/dbraw/zinc/52/22/51/821522251.db2.gz FBIABZKVYXVFNZ-YCRPNKLZSA-N 1 0 393.437 4.483 20 0 GIADRO CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@](C)(O)c1ccc(F)cc1F ZINC000180898737 821522985 /nfs/dbraw/zinc/52/29/85/821522985.db2.gz RRJLARLNZULFPJ-NYHFZMIOSA-N 1 0 390.474 4.303 20 0 GIADRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(-c3ccncc3)cc2)cc1 ZINC000180898146 821523090 /nfs/dbraw/zinc/52/30/90/821523090.db2.gz VDOVHJHPIZPCRM-IAGOWNOFSA-N 1 0 375.472 4.435 20 0 GIADRO CCc1ccc([C@H](CNC(=O)Nc2cccc(NC(=O)C3CC3)c2)[NH+](C)C)cc1 ZINC000044103040 821523955 /nfs/dbraw/zinc/52/39/55/821523955.db2.gz GFUJIGSPKSGXRO-NRFANRHFSA-N 1 0 394.519 4.022 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=S)NCCSc2ccc(Cl)cc2)c1 ZINC000044133092 821530383 /nfs/dbraw/zinc/53/03/83/821530383.db2.gz BINYMFGIJMARMA-UHFFFAOYSA-N 1 0 379.982 4.480 20 0 GIADRO COC(=O)COc1cccc(C[NH2+][C@@H](C)[C@@H](C)c2nc3ccccc3s2)c1 ZINC000180909224 821530659 /nfs/dbraw/zinc/53/06/59/821530659.db2.gz VZGDVVDEZAKNGS-CABCVRRESA-N 1 0 384.501 4.130 20 0 GIADRO COc1ccc(CN2CC[C@@H]([NH2+][C@@H]3C[C@H](C)Sc4sccc43)C2=O)cc1 ZINC000180921945 821539059 /nfs/dbraw/zinc/53/90/59/821539059.db2.gz MJTLGGUKYMXWFC-MORSLUCNSA-N 1 0 388.558 4.073 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)COc1cccc2[nH]ccc21)c1ccc(-c2ccncc2)cc1 ZINC000180932079 821544708 /nfs/dbraw/zinc/54/47/08/821544708.db2.gz TVRZRLYTGGZEND-UWJYYQICSA-N 1 0 387.483 4.320 20 0 GIADRO COc1cc(F)ccc1NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000044235881 821552736 /nfs/dbraw/zinc/55/27/36/821552736.db2.gz JLDUEJLBZBOEBB-UHFFFAOYSA-N 1 0 391.874 4.274 20 0 GIADRO Brc1ccccc1[C@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1ccccc1 ZINC000180949862 821553218 /nfs/dbraw/zinc/55/32/18/821553218.db2.gz ONBQCRVFPXXWDT-OXJNMPFZSA-N 1 0 382.305 4.409 20 0 GIADRO CC(C)(C)n1cc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cn1 ZINC000180952621 821553711 /nfs/dbraw/zinc/55/37/11/821553711.db2.gz NLLOZMJQXDTRSB-FPOVZHCZSA-N 1 0 395.551 4.157 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1cccc(Cn2cccn2)c1 ZINC000044247976 821554446 /nfs/dbraw/zinc/55/44/46/821554446.db2.gz TXXSUUKSAQUOLN-UHFFFAOYSA-N 1 0 391.519 4.095 20 0 GIADRO CC[N@@H+]1CCC[C@H]1CNC(=S)N(Cc1ccccc1C(F)(F)F)C1CC1 ZINC000044251680 821555080 /nfs/dbraw/zinc/55/50/80/821555080.db2.gz SGEJFPIOMJEQDT-INIZCTEOSA-N 1 0 385.499 4.029 20 0 GIADRO COc1ccc([C@@H]2CCCN2C(=O)Nc2cccc(C[NH+](C)C)c2)c(OC)c1 ZINC000044277447 821558290 /nfs/dbraw/zinc/55/82/90/821558290.db2.gz RKEKUJHLNLYEDT-FQEVSTJZSA-N 1 0 383.492 4.134 20 0 GIADRO CCc1oc(C(=O)OC)cc1C[NH2+][C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000180961655 821558465 /nfs/dbraw/zinc/55/84/65/821558465.db2.gz DZBBCKHNHDDWCS-GFCCVEGCSA-N 1 0 385.382 4.421 20 0 GIADRO Cc1cc([C@H](C)[NH2+]C2CCN(S(=O)(=O)Cc3ccccc3)CC2)c(C)s1 ZINC000180965992 821560887 /nfs/dbraw/zinc/56/08/87/821560887.db2.gz XFIOJHATXOKHJG-INIZCTEOSA-N 1 0 392.590 4.010 20 0 GIADRO CCc1nc2ccccc2n1C1CC[NH+](CCC(=O)N(C)c2ccccc2)CC1 ZINC000180967656 821561376 /nfs/dbraw/zinc/56/13/76/821561376.db2.gz MQIOBGYGFWLVGD-UHFFFAOYSA-N 1 0 390.531 4.289 20 0 GIADRO O=C1C[C@H](C[NH2+]Cc2ccc(SC(F)F)cc2)CN1Cc1ccccc1 ZINC000180974647 821566894 /nfs/dbraw/zinc/56/68/94/821566894.db2.gz ONTBPUKBTQDXQY-QGZVFWFLSA-N 1 0 376.472 4.140 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccc(Oc2ccccc2)nc1 ZINC000044312567 821568491 /nfs/dbraw/zinc/56/84/91/821568491.db2.gz ACYKNUORXRLOGX-LJQANCHMSA-N 1 0 377.444 4.034 20 0 GIADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H](C)c2cc3cc(Cl)ccc3o2)c1 ZINC000180978736 821569676 /nfs/dbraw/zinc/56/96/76/821569676.db2.gz ACWTVEBWYJTFPI-OLZOCXBDSA-N 1 0 392.908 4.406 20 0 GIADRO COc1ccc([C@H]([NH2+]CC2(OC)CCOCC2)c2ccccc2Cl)cc1 ZINC000180979488 821570155 /nfs/dbraw/zinc/57/01/55/821570155.db2.gz AJYATBTXNAAQDA-FQEVSTJZSA-N 1 0 375.896 4.223 20 0 GIADRO COC1(C[NH2+][C@@H](c2ccccc2)c2ccccc2Br)CCOCC1 ZINC000180980118 821571240 /nfs/dbraw/zinc/57/12/40/821571240.db2.gz XKPWJUBDVKPKBQ-IBGZPJMESA-N 1 0 390.321 4.324 20 0 GIADRO CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000180981297 821571888 /nfs/dbraw/zinc/57/18/88/821571888.db2.gz DIARDXZIAUFTIB-VPZZIHKRSA-N 1 0 399.915 4.309 20 0 GIADRO CCn1c2ccccc2nc1[C@H](C)[NH2+][C@H](C)CC(=O)Nc1cccnc1Cl ZINC000180991899 821579601 /nfs/dbraw/zinc/57/96/01/821579601.db2.gz DHKVPNFAERTIAR-KGLIPLIRSA-N 1 0 385.899 4.173 20 0 GIADRO O[C@H]1CC[N@H+](Cc2ccccc2CNCc2ccc(-c3ccccc3Cl)o2)C1 ZINC000180995078 821581564 /nfs/dbraw/zinc/58/15/64/821581564.db2.gz GIQBBQSUHLGFJU-IBGZPJMESA-N 1 0 396.918 4.456 20 0 GIADRO Cc1ccc(-c2ccc(CNCc3ccccc3C[N@@H+]3CC[C@H](O)C3)o2)cc1 ZINC000180996853 821583004 /nfs/dbraw/zinc/58/30/04/821583004.db2.gz RJZRXGFUANYPPF-QFIPXVFZSA-N 1 0 376.500 4.111 20 0 GIADRO CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]CCc1nc2cc(F)ccc2n1C ZINC000181002133 821586163 /nfs/dbraw/zinc/58/61/63/821586163.db2.gz YWSNGOUDDZGXOD-MRXNPFEDSA-N 1 0 396.510 4.385 20 0 GIADRO CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000181009070 821590335 /nfs/dbraw/zinc/59/03/35/821590335.db2.gz KXNQBVWVKWTVRU-KRWDZBQOSA-N 1 0 397.544 4.376 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+]CCc1nc(-c3ccccn3)cs1)CCCO2 ZINC000181011457 821592082 /nfs/dbraw/zinc/59/20/82/821592082.db2.gz YLUZZCDXHNZIPC-QGZVFWFLSA-N 1 0 381.501 4.260 20 0 GIADRO Cc1ccc(O[C@@H](C)C(=O)Nc2cccc(C[NH+](C)C)c2)c(Br)c1 ZINC000044504093 821595942 /nfs/dbraw/zinc/59/59/42/821595942.db2.gz YGCINQVOOQZQFW-AWEZNQCLSA-N 1 0 391.309 4.225 20 0 GIADRO Cc1ccc(O[C@H](C)C(=O)Nc2cccc(C[NH+](C)C)c2)c(Br)c1 ZINC000044504094 821596123 /nfs/dbraw/zinc/59/61/23/821596123.db2.gz YGCINQVOOQZQFW-CQSZACIVSA-N 1 0 391.309 4.225 20 0 GIADRO C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CCCc1nc2ccccc2n1C ZINC000181020849 821597012 /nfs/dbraw/zinc/59/70/12/821597012.db2.gz CDYXOEXVDONWCR-HNNXBMFYSA-N 1 0 384.911 4.166 20 0 GIADRO C[C@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc(Br)cc1Br ZINC000044533155 821601188 /nfs/dbraw/zinc/60/11/88/821601188.db2.gz DBSXSPWPJZWTQO-RYUDHWBXSA-N 1 0 390.163 4.204 20 0 GIADRO COC[C@H](O)CC[NH2+][C@@H](c1ccc(Cl)cc1)c1ccc(OC(F)F)cc1 ZINC000181039665 821607127 /nfs/dbraw/zinc/60/71/27/821607127.db2.gz JAYMIBCSKIMVJG-AEFFLSMTSA-N 1 0 385.838 4.018 20 0 GIADRO C[C@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)[N@H+](C)CCCn1ccnc1 ZINC000181060667 821614114 /nfs/dbraw/zinc/61/41/14/821614114.db2.gz MXIHSRGHDLXDQA-GFCCVEGCSA-N 1 0 380.279 4.323 20 0 GIADRO COc1ccc2ccccc2c1-c1cc(CN2CC[C@H]([NH+]3CCCC3)C2)on1 ZINC000181067691 821616890 /nfs/dbraw/zinc/61/68/90/821616890.db2.gz VUGXKWURGMQDBY-SFHVURJKSA-N 1 0 377.488 4.174 20 0 GIADRO Cc1ccoc1C(=O)NCCC[NH2+][C@@H](C)c1cnn(-c2cc(C)ccc2C)c1C ZINC000181074828 821619739 /nfs/dbraw/zinc/61/97/39/821619739.db2.gz WUZACUUXUSFFMK-SFHVURJKSA-N 1 0 394.519 4.170 20 0 GIADRO Cc1ccoc1C(=O)NCCC[NH2+][C@@H](C)c1sc(Cc2ccccc2)nc1C ZINC000181074712 821619935 /nfs/dbraw/zinc/61/99/35/821619935.db2.gz IMYWESMRHSYZNM-INIZCTEOSA-N 1 0 397.544 4.414 20 0 GIADRO Cc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H](O)c1c(Cl)cccc1Cl ZINC000181106172 821635840 /nfs/dbraw/zinc/63/58/40/821635840.db2.gz YRZQXXMKIGHHRR-GUYCJALGSA-N 1 0 381.303 4.342 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+]C[C@@H](O)c2c(Cl)cccc2Cl)s1 ZINC000181108254 821637965 /nfs/dbraw/zinc/63/79/65/821637965.db2.gz QQUXXTNWEIQZAW-IINYFYTJSA-N 1 0 389.348 4.331 20 0 GIADRO CCOc1c(Br)cc(C[NH2+]CCCCOC)cc1Br ZINC000044657541 821638594 /nfs/dbraw/zinc/63/85/94/821638594.db2.gz SKTQPQXLNBKTSD-UHFFFAOYSA-N 1 0 395.135 4.127 20 0 GIADRO C[C@@H](CNC(=O)Nc1ccc2[nH]c(C(F)F)nc2c1)[N@@H+]1CCc2ccccc2C1 ZINC000181114466 821641213 /nfs/dbraw/zinc/64/12/13/821641213.db2.gz ZTSKMQIMILFSRF-ZDUSSCGKSA-N 1 0 399.445 4.069 20 0 GIADRO C[C@H]([NH2+]C1CCC(S(C)(=O)=O)CC1)c1cccc(OCc2ccccc2)c1 ZINC000181123712 821647574 /nfs/dbraw/zinc/64/75/74/821647574.db2.gz UIJXXLMFIZGFQW-RYHLMMNBSA-N 1 0 387.545 4.272 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC000181123394 821647586 /nfs/dbraw/zinc/64/75/86/821647586.db2.gz QJVZPRNUSWIWBA-UHFFFAOYSA-N 1 0 399.445 4.418 20 0 GIADRO COc1ccc2ccccc2c1-c1cc(CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)on1 ZINC000181134374 821654549 /nfs/dbraw/zinc/65/45/49/821654549.db2.gz FLRPOWSLERYHIN-AEFFLSMTSA-N 1 0 379.504 4.418 20 0 GIADRO COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]CCC(=O)Nc2cc(C)on2)cc1 ZINC000181134707 821654588 /nfs/dbraw/zinc/65/45/88/821654588.db2.gz UDGIIXFAKQOFFD-HXUWFJFHSA-N 1 0 397.450 4.033 20 0 GIADRO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3)c(C(F)(F)F)c2)CC1 ZINC000044796537 821664003 /nfs/dbraw/zinc/66/40/03/821664003.db2.gz DAHOJHLMWBTXCZ-UHFFFAOYSA-N 1 0 397.828 4.363 20 0 GIADRO CSC1(C[NH2+][C@@H](C)c2ccc(OC[C@H]3CCCCO3)c(F)c2)CCOCC1 ZINC000181158079 821670285 /nfs/dbraw/zinc/67/02/85/821670285.db2.gz ZGSXFCXCJGVCAR-FUHWJXTLSA-N 1 0 397.556 4.336 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)CCCOc3ccccc3)cc2)C1 ZINC000044878903 821676324 /nfs/dbraw/zinc/67/63/24/821676324.db2.gz IETKYNAYQSFIKI-FQEVSTJZSA-N 1 0 380.532 4.394 20 0 GIADRO CN(C(=O)C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1)c1nc2ccccc2s1 ZINC000181184880 821683295 /nfs/dbraw/zinc/68/32/95/821683295.db2.gz CESXNQVTIPKQDO-VQIMIIECSA-N 1 0 395.528 4.017 20 0 GIADRO Cc1cc2ncc([C@@H](C)[NH2+][C@@H](c3ccc4c(c3)OCCO4)C(C)C)c(C)n2n1 ZINC000181190017 821686350 /nfs/dbraw/zinc/68/63/50/821686350.db2.gz HJPDWUNZYLFVHM-IVZQSRNASA-N 1 0 380.492 4.165 20 0 GIADRO COc1ccc(NC(=O)C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)cc1Cl ZINC000181192698 821688157 /nfs/dbraw/zinc/68/81/57/821688157.db2.gz MSDCRZLAIKBVFI-HNAYVOBHSA-N 1 0 388.895 4.045 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C[C@H](OC)c2cccc(Cl)c2)cc1 ZINC000181195754 821690557 /nfs/dbraw/zinc/69/05/57/821690557.db2.gz LURHEWRDBCJWLP-LIRRHRJNSA-N 1 0 396.940 4.140 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)c1[nH]c2ccccc2c1Cl)[NH+]1CCCC1 ZINC000045014360 821690956 /nfs/dbraw/zinc/69/09/56/821690956.db2.gz UEDDAWPLYWKRAP-GOSISDBHSA-N 1 0 397.906 4.397 20 0 GIADRO C[C@@H]([NH2+]C1CCN(C(=O)c2ccccc2F)CC1)c1nc2c(s1)CCCC2 ZINC000181201187 821693188 /nfs/dbraw/zinc/69/31/88/821693188.db2.gz OYHXOSLUFPHQGU-CQSZACIVSA-N 1 0 387.524 4.116 20 0 GIADRO CN(C(=O)C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)[C@@H]1CCCc2ccccc21 ZINC000181205006 821696297 /nfs/dbraw/zinc/69/62/97/821696297.db2.gz ZUHMBKZBASPERH-WUMKDDEVSA-N 1 0 392.543 4.280 20 0 GIADRO CCC(CC)n1nc(C)cc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000181215439 821702168 /nfs/dbraw/zinc/70/21/68/821702168.db2.gz OUMMPYCRPPOLFS-QUCCMNQESA-N 1 0 382.552 4.336 20 0 GIADRO CC[NH+](CC)CCn1ccc2cc(NC(=O)c3sccc3COC)ccc21 ZINC000181217702 821702673 /nfs/dbraw/zinc/70/26/73/821702673.db2.gz YHOSVFZZIOSLQX-UHFFFAOYSA-N 1 0 385.533 4.443 20 0 GIADRO O=C(C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1)Nc1ccccc1C(F)(F)F ZINC000181220984 821704419 /nfs/dbraw/zinc/70/44/19/821704419.db2.gz VANOBVFNDKEPCU-BEFAXECRSA-N 1 0 392.421 4.401 20 0 GIADRO Cc1ccc(-c2nc3c(s2)[C@H]([NH2+]CCCNC(=O)C2CCC2)CCC3)cc1 ZINC000181232881 821709583 /nfs/dbraw/zinc/70/95/83/821709583.db2.gz NSXGIYPHRKSKHZ-GOSISDBHSA-N 1 0 383.561 4.392 20 0 GIADRO O=C(C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1)Nc1cccc(C(F)(F)F)c1 ZINC000181233803 821711089 /nfs/dbraw/zinc/71/10/89/821711089.db2.gz WZMIBBAWRBNRRU-DNVCBOLYSA-N 1 0 392.421 4.401 20 0 GIADRO Cc1c(N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cnn1-c1ccccc1F ZINC000181241264 821714971 /nfs/dbraw/zinc/71/49/71/821714971.db2.gz GMIGGACONWEBLO-JXFKEZNVSA-N 1 0 379.483 4.037 20 0 GIADRO CC[C@H](C[NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(F)c1)Oc1cccc(C)c1 ZINC000181240649 821715116 /nfs/dbraw/zinc/71/51/16/821715116.db2.gz FZRIGUUQKWFMSA-NVXWUHKLSA-N 1 0 379.497 4.046 20 0 GIADRO C[C@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1ccc(-c2cccs2)cc1 ZINC000181269676 821726248 /nfs/dbraw/zinc/72/62/48/821726248.db2.gz UHHUBBCTLRNBMM-HNNXBMFYSA-N 1 0 390.574 4.022 20 0 GIADRO CCn1c(C[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)nc2cc(F)ccc21 ZINC000181276191 821728910 /nfs/dbraw/zinc/72/89/10/821728910.db2.gz QRRQTLYGDPUNFO-AWEZNQCLSA-N 1 0 382.439 4.003 20 0 GIADRO CCOc1ccc(C(C)=O)cc1C[NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000181277678 821729993 /nfs/dbraw/zinc/72/99/93/821729993.db2.gz LECQPVZCJVZPTP-OAHLLOKOSA-N 1 0 382.460 4.095 20 0 GIADRO Cc1nc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(-c3cccnc3)cc2)sc1C ZINC000181277063 821730148 /nfs/dbraw/zinc/73/01/48/821730148.db2.gz IDJAIMNUEJBCPZ-LSDHHAIUSA-N 1 0 380.517 4.500 20 0 GIADRO C[C@@H]([NH2+]CCc1ccccc1OC(F)(F)F)c1cccc(N2CCOC2=O)c1 ZINC000181281669 821733165 /nfs/dbraw/zinc/73/31/65/821733165.db2.gz MYZHSFKMRBOTOA-CQSZACIVSA-N 1 0 394.393 4.435 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccnc1 ZINC000181284483 821734379 /nfs/dbraw/zinc/73/43/79/821734379.db2.gz UHCVOKIFMRQORZ-JTQLQIEISA-N 1 0 391.315 4.409 20 0 GIADRO COc1ccccc1CNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000181288340 821736515 /nfs/dbraw/zinc/73/65/15/821736515.db2.gz PEXPZTHUUIZTBF-QZTJIDSGSA-N 1 0 389.499 4.113 20 0 GIADRO COc1ccccc1N1CC[C@@H]([NH2+][C@H](C)c2cccc(-c3ccncc3)c2)C1=O ZINC000181288623 821737011 /nfs/dbraw/zinc/73/70/11/821737011.db2.gz SUHVRIRCOOSQFD-DYESRHJHSA-N 1 0 387.483 4.213 20 0 GIADRO COCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1Cl)CC2 ZINC000181298157 821741903 /nfs/dbraw/zinc/74/19/03/821741903.db2.gz DVVBQZPTZPCNJN-UWVGGRQHSA-N 1 0 389.714 4.050 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1cc(C(C)(C)C)no1)c1ccc(-c2cccnc2)cc1 ZINC000181305327 821745777 /nfs/dbraw/zinc/74/57/77/821745777.db2.gz OJGIAIIPPZBFON-OAHLLOKOSA-N 1 0 378.476 4.323 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1ccc(C(C)(C)C)cc1)c1cccc(N2CCOC2=O)c1 ZINC000181313360 821751928 /nfs/dbraw/zinc/75/19/28/821751928.db2.gz VUUWSOKSQKIEAW-INIZCTEOSA-N 1 0 395.503 4.230 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@H](C)c2c(C)nn(CC(F)(F)F)c2C)cc1OC ZINC000181316181 821754221 /nfs/dbraw/zinc/75/42/21/821754221.db2.gz NVGUBGKNPRXTMC-NWDGAFQWSA-N 1 0 385.430 4.491 20 0 GIADRO COC(=O)c1cc2cc(C[NH2+][C@@H](C)c3cccc(N4CCOC4=O)c3)ccc2o1 ZINC000181323385 821758955 /nfs/dbraw/zinc/75/89/55/821758955.db2.gz UVHNKRUFMOIQGA-AWEZNQCLSA-N 1 0 394.427 4.027 20 0 GIADRO COCc1noc([C@@H](C)[NH2+]C[C@H](c2c[nH]c3ccccc32)c2ccccc2)n1 ZINC000181324384 821759371 /nfs/dbraw/zinc/75/93/71/821759371.db2.gz WCCRIKYDXBZDBW-QAPCUYQASA-N 1 0 376.460 4.180 20 0 GIADRO COCc1noc([C@H](C)[NH2+]C[C@@H](c2c[nH]c3ccccc32)c2ccccc2)n1 ZINC000181324401 821759624 /nfs/dbraw/zinc/75/96/24/821759624.db2.gz WCCRIKYDXBZDBW-MAUKXSAKSA-N 1 0 376.460 4.180 20 0 GIADRO COc1cccc2[nH]cc(CC[NH2+][C@@H](C)CC(=O)Nc3cccc(C)c3C)c21 ZINC000181332337 821764481 /nfs/dbraw/zinc/76/44/81/821764481.db2.gz YDCUQPLTBAWCNE-INIZCTEOSA-N 1 0 379.504 4.343 20 0 GIADRO COc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@H]2CCc4n[nH]cc4C2)CCC3)cc1 ZINC000181351958 821780266 /nfs/dbraw/zinc/78/02/66/821780266.db2.gz TYGIAPGOHUNVFQ-MAUKXSAKSA-N 1 0 380.517 4.066 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1cccc2ccccc21)c1ccc(N2CCCC2=O)cc1 ZINC000181356649 821784150 /nfs/dbraw/zinc/78/41/50/821784150.db2.gz IJRWYOTVNKCUTB-KRWDZBQOSA-N 1 0 387.483 4.256 20 0 GIADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]Cc1nc(C2CC2)cs1 ZINC000181366694 821790444 /nfs/dbraw/zinc/79/04/44/821790444.db2.gz UXYVVGPHYNLNIF-NSHDSACASA-N 1 0 394.338 4.290 20 0 GIADRO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)c(Cl)c1 ZINC000181371131 821792271 /nfs/dbraw/zinc/79/22/71/821792271.db2.gz RNNKQDWERHOIDH-JKSUJKDBSA-N 1 0 399.922 4.453 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(SC(=O)N(C)C)c1)c1ccc(N2CCCC2=O)cc1 ZINC000181377619 821795212 /nfs/dbraw/zinc/79/52/12/821795212.db2.gz HTHLFAWYFUCTKS-INIZCTEOSA-N 1 0 397.544 4.438 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)OC)c(F)c2)cc1OCC ZINC000181386492 821799886 /nfs/dbraw/zinc/79/98/86/821799886.db2.gz OCQYWNFVXHBOAR-AWEZNQCLSA-N 1 0 375.440 4.261 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)OC)cc2F)cc1OCC ZINC000181387400 821800015 /nfs/dbraw/zinc/80/00/15/821800015.db2.gz VIEQGQDHHQRNNN-CQSZACIVSA-N 1 0 375.440 4.261 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)c1cccc(Br)c1)c1ccc(-n2cccn2)cc1 ZINC000181389146 821800951 /nfs/dbraw/zinc/80/09/51/821800951.db2.gz XDCJLUXNSOMQIN-AUUYWEPGSA-N 1 0 386.293 4.019 20 0 GIADRO C[C@@H]([NH2+]C[C@H](O)c1cccc(Br)c1)c1ccc(-n2cccn2)cc1 ZINC000181389103 821800999 /nfs/dbraw/zinc/80/09/99/821800999.db2.gz XDCJLUXNSOMQIN-KUHUBIRLSA-N 1 0 386.293 4.019 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+]CC2(c3ccccc3C)CCOCC2)s1 ZINC000181389855 821801575 /nfs/dbraw/zinc/80/15/75/821801575.db2.gz YFPFOBDTTGTYNY-KRWDZBQOSA-N 1 0 388.577 4.348 20 0 GIADRO C[C@H]([NH2+][C@H](CO)c1cccc(Br)c1)c1ccc(OC(F)F)cc1 ZINC000181393014 821803170 /nfs/dbraw/zinc/80/31/70/821803170.db2.gz NINISGYDSTZMMT-MEDUHNTESA-N 1 0 386.236 4.435 20 0 GIADRO COc1ccc2c(c1)CCC[C@H]2[NH2+][C@H](CO)c1cccc(Br)c1 ZINC000181393117 821803353 /nfs/dbraw/zinc/80/33/53/821803353.db2.gz GGHDPGYSGSQXIY-RTBURBONSA-N 1 0 376.294 4.158 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)s1 ZINC000181393505 821803872 /nfs/dbraw/zinc/80/38/72/821803872.db2.gz BTHULZLKRVWJBM-KBPBESRZSA-N 1 0 389.521 4.009 20 0 GIADRO CC[C@H](NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccccc1OC(F)F ZINC000181409719 821810526 /nfs/dbraw/zinc/81/05/26/821810526.db2.gz ZAUCNNQCCZHPPW-FHWLQOOXSA-N 1 0 382.495 4.097 20 0 GIADRO C[C@H](NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cc(Cl)sc1Cl ZINC000181412473 821812060 /nfs/dbraw/zinc/81/20/60/821812060.db2.gz YZHHLNNXSSSYOQ-CQDKDKBSSA-N 1 0 377.381 4.473 20 0 GIADRO Cc1ccc(C)c(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)c1 ZINC000181416865 821814395 /nfs/dbraw/zinc/81/43/95/821814395.db2.gz NQTMJWFSBPVVNN-ZWKOTPCHSA-N 1 0 379.504 4.108 20 0 GIADRO Cc1cc(Cl)c2c(c1)[C@H](NC1CC[NH+]([C@H]3CCCC[C@@H]3O)CC1)CCCO2 ZINC000181417914 821815826 /nfs/dbraw/zinc/81/58/26/821815826.db2.gz NCEOCQXTCREDGM-HKBOAZHASA-N 1 0 392.971 4.220 20 0 GIADRO Clc1cc2ncc(NC3CC[NH+](Cc4ccncc4)CC3)nc2cc1Cl ZINC000181423336 821819015 /nfs/dbraw/zinc/81/90/15/821819015.db2.gz NEXDDXXQVGXJEP-UHFFFAOYSA-N 1 0 388.302 4.408 20 0 GIADRO COc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@H](C)Cc2cc(C)n[nH]2)CCC3)cc1 ZINC000181424026 821819404 /nfs/dbraw/zinc/81/94/04/821819404.db2.gz MVZOILDHWPCKHF-FZKQIMNGSA-N 1 0 382.533 4.448 20 0 GIADRO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)c(Cl)c1 ZINC000181426943 821821242 /nfs/dbraw/zinc/82/12/42/821821242.db2.gz ZCFAGMHRSKGXHB-HOTGVXAUSA-N 1 0 399.922 4.453 20 0 GIADRO COc1ccc([C@H](C)[NH2+]Cc2ccc(NC(C)=O)cc2)c(Br)c1 ZINC000181427977 821821932 /nfs/dbraw/zinc/82/19/32/821821932.db2.gz ZIKCOGSXNJBSMZ-LBPRGKRZSA-N 1 0 377.282 4.267 20 0 GIADRO Cc1cccc(-c2nc(CC(=O)N[C@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)cs2)c1 ZINC000181430313 821822684 /nfs/dbraw/zinc/82/26/84/821822684.db2.gz DLCGSJQDFUWBSV-MJGOQNOKSA-N 1 0 397.588 4.430 20 0 GIADRO CCc1ccc2c(C[NH2+][C@H](C)c3cccc(N4CCCC4=O)c3)cc(=O)oc2c1 ZINC000181433609 821825381 /nfs/dbraw/zinc/82/53/81/821825381.db2.gz QWOQFZUBUFKCAB-MRXNPFEDSA-N 1 0 390.483 4.333 20 0 GIADRO CSc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)cc1 ZINC000181437981 821826846 /nfs/dbraw/zinc/82/68/46/821826846.db2.gz KNMWPFFAKOBHMD-HOTGVXAUSA-N 1 0 397.544 4.213 20 0 GIADRO CCOc1cccc2cc([C@H](C)[NH2+]C[C@H](O)c3cc(OC)ccc3OC)oc21 ZINC000181442567 821828644 /nfs/dbraw/zinc/82/86/44/821828644.db2.gz DTUPLEVYETYLGZ-KSSFIOAISA-N 1 0 385.460 4.233 20 0 GIADRO C[C@H](NC(=O)c1cccc(OCc2cccnc2)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181445896 821829637 /nfs/dbraw/zinc/82/96/37/821829637.db2.gz UNKHAXJRWFGFMI-RXVVDRJESA-N 1 0 393.531 4.043 20 0 GIADRO CC[C@@H]([NH2+]CCc1nnc2n1CCCCC2)c1cc(F)cc(Br)c1 ZINC000181446659 821830163 /nfs/dbraw/zinc/83/01/63/821830163.db2.gz JACWRCTYHFWSDL-MRXNPFEDSA-N 1 0 395.320 4.190 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000181454417 821832920 /nfs/dbraw/zinc/83/29/20/821832920.db2.gz SZFWCKJCQXIYMK-URKNILKWSA-N 1 0 375.563 4.219 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+][C@H]1CCO[C@]2(CCSC2)C1 ZINC000181454449 821833008 /nfs/dbraw/zinc/83/30/08/821833008.db2.gz SZFWCKJCQXIYMK-IYJAJMOOSA-N 1 0 375.563 4.219 20 0 GIADRO O=C(C[NH2+][C@H](CCCCc1ccccc1)c1ccccc1)NC1CCOCC1 ZINC000181455454 821833639 /nfs/dbraw/zinc/83/36/39/821833639.db2.gz OYFRRVFVCHDSAB-HSZRJFAPSA-N 1 0 380.532 4.026 20 0 GIADRO C[N@@H+](Cc1ncc(-c2cccc(Br)c2)o1)C[C@H]1CCCC[C@@H]1O ZINC000181461658 821837057 /nfs/dbraw/zinc/83/70/57/821837057.db2.gz HDBJTBAISCQYFC-ZBFHGGJFSA-N 1 0 379.298 4.087 20 0 GIADRO C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000181463822 821838387 /nfs/dbraw/zinc/83/83/87/821838387.db2.gz VTOCWSMCUYYOMD-INWMFGNUSA-N 1 0 383.414 4.299 20 0 GIADRO Cc1cc(Br)ccc1C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181493410 821851887 /nfs/dbraw/zinc/85/18/87/821851887.db2.gz BGJIWRLUVCPQOT-CABCVRRESA-N 1 0 379.342 4.140 20 0 GIADRO Cc1nc2ccccc2c(C)c1CC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181503622 821857327 /nfs/dbraw/zinc/85/73/27/821857327.db2.gz TWTMLNCGDLUFJF-MJGOQNOKSA-N 1 0 379.548 4.163 20 0 GIADRO OCC[C@@H]([NH2+]Cc1csc(COc2ccc(F)cc2)n1)C1CCCCC1 ZINC000181508162 821858847 /nfs/dbraw/zinc/85/88/47/821858847.db2.gz SNZVSKNOBYPJJA-LJQANCHMSA-N 1 0 378.513 4.282 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]CC2(Cc3ccccc3)CC2)c1 ZINC000181509047 821860122 /nfs/dbraw/zinc/86/01/22/821860122.db2.gz DVGGQRQUWNEOFQ-QGZVFWFLSA-N 1 0 382.504 4.033 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)c1cccc(O)c1 ZINC000181520801 821864847 /nfs/dbraw/zinc/86/48/47/821864847.db2.gz VGJVMOKCDSWVGE-OAHLLOKOSA-N 1 0 382.460 4.113 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@H]2CCCN(CC(F)(F)F)C2=O)c2ccccc12 ZINC000181526134 821866647 /nfs/dbraw/zinc/86/66/47/821866647.db2.gz QLMCBTXKMDAZKT-DYVFJYSZSA-N 1 0 380.410 4.052 20 0 GIADRO COc1cc(CNc2cc(C[NH+](C)C)ccn2)ccc1OCc1ccc(F)cc1 ZINC000181526404 821866686 /nfs/dbraw/zinc/86/66/86/821866686.db2.gz HMLSVFNWLLBZBJ-UHFFFAOYSA-N 1 0 395.478 4.482 20 0 GIADRO C[C@H](CSc1ccc(F)cc1)C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181531488 821868956 /nfs/dbraw/zinc/86/89/56/821868956.db2.gz KXPVLODCWDZPDX-IXDOHACOSA-N 1 0 378.557 4.323 20 0 GIADRO OC[C@@H](C[NH2+]Cc1cccc2cnccc21)Cc1ccc(OC(F)(F)F)cc1 ZINC000181538546 821873144 /nfs/dbraw/zinc/87/31/44/821873144.db2.gz MWOXBFSJZIXFKW-MRXNPFEDSA-N 1 0 390.405 4.074 20 0 GIADRO COc1cc([C@@H](C)[NH2+]C[C@@H](c2ccccc2)C(C)(C)CO)cc(OC)c1OC ZINC000181556405 821880141 /nfs/dbraw/zinc/88/01/41/821880141.db2.gz YQHFJPUCSYCFIH-APWZRJJASA-N 1 0 387.520 4.165 20 0 GIADRO COc1ccc2cc(CN(C)C(=O)[C@@H](C)[NH2+][C@H](C)c3cccc(O)c3)ccc2c1 ZINC000181579485 821887326 /nfs/dbraw/zinc/88/73/26/821887326.db2.gz PUEPBMQSGMCBMK-IAGOWNOFSA-N 1 0 392.499 4.252 20 0 GIADRO O=c1cc(C[NH2+][C@@H](Cc2cccc(F)c2)c2cccc(F)c2)nc2ccccn12 ZINC000181588975 821892333 /nfs/dbraw/zinc/89/23/33/821892333.db2.gz OALDQOSIMQYAKI-NRFANRHFSA-N 1 0 391.421 4.046 20 0 GIADRO C[N@@H+]1CCCN(C(=O)Nc2ccc(F)cc2-c2nc3ccccc3s2)CC1 ZINC000181590759 821893441 /nfs/dbraw/zinc/89/34/41/821893441.db2.gz BOZMSFNEPPQRRG-UHFFFAOYSA-N 1 0 384.480 4.272 20 0 GIADRO O[C@H](C[NH2+][C@@H](Cc1cccc(F)c1)c1cccc(F)c1)COCc1ccco1 ZINC000181594183 821895185 /nfs/dbraw/zinc/89/51/85/821895185.db2.gz ITOOWGBHOGYALE-IRLDBZIGSA-N 1 0 387.426 4.009 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CC(C)(C)c2cccc(OC)c2)cc1 ZINC000181599927 821896963 /nfs/dbraw/zinc/89/69/63/821896963.db2.gz GCQYGAFSSATUPS-MRXNPFEDSA-N 1 0 390.549 4.085 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(COC2CCOCC2)cc1)c1ccc2c(c1)OCCCO2 ZINC000181608863 821900998 /nfs/dbraw/zinc/90/09/98/821900998.db2.gz SJSBHUFFCDNQOS-GOSISDBHSA-N 1 0 397.515 4.394 20 0 GIADRO Cc1cccc(C(C)C)c1NC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000181614162 821904400 /nfs/dbraw/zinc/90/44/00/821904400.db2.gz CLZLZXYCXMDHHI-FQEVSTJZSA-N 1 0 381.520 4.007 20 0 GIADRO CCc1c2cc(C)ccc2oc1[C@H](C)[NH2+]Cc1ccc(OCC(N)=O)c(OC)c1 ZINC000181615960 821905133 /nfs/dbraw/zinc/90/51/33/821905133.db2.gz GMZGAVATSMYSHG-HNNXBMFYSA-N 1 0 396.487 4.027 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1cccnc1)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000181629834 821912547 /nfs/dbraw/zinc/91/25/47/821912547.db2.gz SEQWHHACBQPWCD-JKSUJKDBSA-N 1 0 381.476 4.191 20 0 GIADRO Cc1noc(C)c1[C@H](C)C[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000181629654 821912599 /nfs/dbraw/zinc/91/25/99/821912599.db2.gz LCYGRZCQHYHHEE-CABCVRRESA-N 1 0 390.549 4.462 20 0 GIADRO CC(C)(C)C[C@@H]([NH2+]Cc1cccc([C@]2(C)NC(=O)NC2=O)c1)c1ccc(F)cc1 ZINC000181645886 821920260 /nfs/dbraw/zinc/92/02/60/821920260.db2.gz BCKCJXOOMHAVCD-XXBNENTESA-N 1 0 397.494 4.147 20 0 GIADRO COc1cc([C@@H](C)[NH2+]CC2([C@H](O)c3ccccc3)CC2)ccc1OC(F)F ZINC000181645157 821920461 /nfs/dbraw/zinc/92/04/61/821920461.db2.gz WBFKXVMUHYRRAL-AUUYWEPGSA-N 1 0 377.431 4.461 20 0 GIADRO C[C@@H]([NH2+]CC1([C@@H](O)c2ccccc2)CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000181647299 821920628 /nfs/dbraw/zinc/92/06/28/821920628.db2.gz QRUVWOUDVPUWEM-IERDGZPVSA-N 1 0 379.504 4.135 20 0 GIADRO CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000181659630 821928077 /nfs/dbraw/zinc/92/80/77/821928077.db2.gz JGUKEGMKAWAMPR-HOCLYGCPSA-N 1 0 383.460 4.191 20 0 GIADRO CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000181659952 821928176 /nfs/dbraw/zinc/92/81/76/821928176.db2.gz NFWRIPXELKGYPX-XLIONFOSSA-N 1 0 397.544 4.084 20 0 GIADRO CC(=O)Nc1cccc(C[NH2+]C(C)(C)COc2ccc(C(F)(F)F)cn2)c1 ZINC000181662470 821929564 /nfs/dbraw/zinc/92/95/64/821929564.db2.gz ROSWALNCIPMFFC-UHFFFAOYSA-N 1 0 381.398 4.006 20 0 GIADRO CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000181663043 821930000 /nfs/dbraw/zinc/93/00/00/821930000.db2.gz PIGMCQBFQOERGG-FXAWDEMLSA-N 1 0 385.529 4.275 20 0 GIADRO COc1cc([C@@H](C)[NH2+]C[C@]2(O)CCc3ccccc32)ccc1SC(F)F ZINC000181671768 821936436 /nfs/dbraw/zinc/93/64/36/821936436.db2.gz GMDOROMDMJHORF-ZUOKHONESA-N 1 0 379.472 4.495 20 0 GIADRO COc1cc([C@H](C)[NH2+]C[C@]2(O)CCc3ccccc32)ccc1SC(F)F ZINC000181671751 821936529 /nfs/dbraw/zinc/93/65/29/821936529.db2.gz GMDOROMDMJHORF-RNODOKPDSA-N 1 0 379.472 4.495 20 0 GIADRO Cc1ccc(-c2nc(CC(=O)N[C@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)cs2)cc1 ZINC000181676173 821938992 /nfs/dbraw/zinc/93/89/92/821938992.db2.gz YWDRBSCKYARWBW-MJGOQNOKSA-N 1 0 397.588 4.430 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CCc2ccc(NC(C)=O)cc2)c(Br)c1 ZINC000181682248 821941924 /nfs/dbraw/zinc/94/19/24/821941924.db2.gz BQVWWCGGBOHJAU-ZDUSSCGKSA-N 1 0 391.309 4.309 20 0 GIADRO COC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2OC(F)F)cc1OC ZINC000181687991 821944805 /nfs/dbraw/zinc/94/48/05/821944805.db2.gz DBPCFOZBRATPMH-NSHDSACASA-N 1 0 383.366 4.073 20 0 GIADRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+][C@H]3CCN(c4ccccn4)C3)s2)cc1 ZINC000181703409 821951381 /nfs/dbraw/zinc/95/13/81/821951381.db2.gz ASCXXOMUDYLYMW-QAPCUYQASA-N 1 0 394.544 4.452 20 0 GIADRO COc1ccc(NC(=O)C[NH2+][C@H](CC(C)C)c2ccccc2OC)cc1OC ZINC000181715417 821957760 /nfs/dbraw/zinc/95/77/60/821957760.db2.gz KQVRSPRQZOBXNO-GOSISDBHSA-N 1 0 386.492 4.028 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(N(C)C)n1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000181731908 821966186 /nfs/dbraw/zinc/96/61/86/821966186.db2.gz GSKGEDOCKDYKRM-QFBILLFUSA-N 1 0 387.499 4.085 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)c1ccc(-n2cncn2)cc1 ZINC000181736883 821968854 /nfs/dbraw/zinc/96/88/54/821968854.db2.gz YUXPOZPAWDUSKM-LVXYXVKQSA-N 1 0 399.901 4.156 20 0 GIADRO Cc1cccc(COc2ccc([C@@H](C)[NH2+]CC3CCS(=O)(=O)CC3)cc2)c1 ZINC000181760483 821980027 /nfs/dbraw/zinc/98/00/27/821980027.db2.gz AZDPFTHZGQMPOO-GOSISDBHSA-N 1 0 387.545 4.049 20 0 GIADRO O=S1(=O)CCC(C[NH2+][C@H](Cc2ccc(F)cc2)c2ccccc2Cl)CC1 ZINC000181762133 821980879 /nfs/dbraw/zinc/98/08/79/821980879.db2.gz AAUOJNTZMIIKGY-HXUWFJFHSA-N 1 0 395.927 4.177 20 0 GIADRO CCn1cc([C@H](C)[NH2+]CCCOc2ncc(C(F)(F)F)cc2Cl)cn1 ZINC000181769449 821985220 /nfs/dbraw/zinc/98/52/20/821985220.db2.gz VLKCGZPDFUQGRZ-NSHDSACASA-N 1 0 376.810 4.090 20 0 GIADRO CCOc1cccc2cc([C@@H](C)[NH2+]C[C@@H](O)c3cc(OC)cc(OC)c3)oc21 ZINC000181771744 821986497 /nfs/dbraw/zinc/98/64/97/821986497.db2.gz WZSYIOXJDMQMBA-AUUYWEPGSA-N 1 0 385.460 4.233 20 0 GIADRO CC(C)Cn1cc(C[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)cn1 ZINC000181778260 821988965 /nfs/dbraw/zinc/98/89/65/821988965.db2.gz KMQFYBLRZJGWQF-UHFFFAOYSA-N 1 0 377.414 4.033 20 0 GIADRO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@@](C)(O)c1ccc(F)cc1 ZINC000181791616 821993905 /nfs/dbraw/zinc/99/39/05/821993905.db2.gz KBEQKYLBMYWXJZ-ORAYPTAESA-N 1 0 398.400 4.059 20 0 GIADRO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@](C)(O)c1ccc(F)cc1 ZINC000181791594 821993914 /nfs/dbraw/zinc/99/39/14/821993914.db2.gz KBEQKYLBMYWXJZ-YJYMSZOUSA-N 1 0 398.400 4.059 20 0 GIADRO C[C@](O)(C[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1)c1ccc(F)cc1 ZINC000181794381 821995224 /nfs/dbraw/zinc/99/52/24/821995224.db2.gz KQNGUWUWDJDTLL-NRFANRHFSA-N 1 0 394.893 4.080 20 0 GIADRO CC[C@H]([NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1OC(F)F ZINC000181800874 821998072 /nfs/dbraw/zinc/99/80/72/821998072.db2.gz WOZOZCKIFKBGAG-MJGOQNOKSA-N 1 0 388.458 4.377 20 0 GIADRO CC[C@@H]([NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1OC(F)F ZINC000181800998 821998101 /nfs/dbraw/zinc/99/81/01/821998101.db2.gz WOZOZCKIFKBGAG-IEBWSBKVSA-N 1 0 388.458 4.377 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N[C@@H](c1nccs1)c1ccccc1)C(C)(C)c1ccccc1 ZINC000181802718 821998580 /nfs/dbraw/zinc/99/85/80/821998580.db2.gz NRWFMJXPXPWZHT-DYESRHJHSA-N 1 0 393.556 4.305 20 0 GIADRO C[C@H]([NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1C(F)(F)F ZINC000181804424 821999994 /nfs/dbraw/zinc/99/99/94/821999994.db2.gz DIWARGPZYUSKKZ-DOTOQJQBSA-N 1 0 376.422 4.405 20 0 GIADRO Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@@H]1CC(=O)N(Cc3ccccc3)C1)CCCO2 ZINC000181808499 822001319 /nfs/dbraw/zinc/00/13/19/822001319.db2.gz LQJKNZKLYCTDGU-UNMCSNQZSA-N 1 0 378.516 4.155 20 0 GIADRO Cc1cc2c(cc1C)[C@H]([NH2+]C[C@@H]1CC(=O)N(Cc3ccccc3)C1)CCCO2 ZINC000181808521 822001381 /nfs/dbraw/zinc/00/13/81/822001381.db2.gz LQJKNZKLYCTDGU-RBBKRZOGSA-N 1 0 378.516 4.155 20 0 GIADRO CC(C)COc1ccc([C@H](C)[NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 ZINC000181810141 822002082 /nfs/dbraw/zinc/00/20/82/822002082.db2.gz GUYXJJNKCBNJQT-FPOVZHCZSA-N 1 0 380.532 4.421 20 0 GIADRO Cc1cc(C)c(C(=O)Nc2ccc(N(C)C3CC[NH+](C)CC3)cc2)c(Cl)n1 ZINC000181818531 822004961 /nfs/dbraw/zinc/00/49/61/822004961.db2.gz ORSWJOBQNVJGQM-UHFFFAOYSA-N 1 0 386.927 4.135 20 0 GIADRO CCOc1cccc2cc([C@H](C)[NH2+]Cc3ccccc3CS(C)(=O)=O)oc21 ZINC000181858674 822018532 /nfs/dbraw/zinc/01/85/32/822018532.db2.gz RVKZMOGVOJEINW-HNNXBMFYSA-N 1 0 387.501 4.227 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)COCc1ccc(Cl)cc1)c1cccc(N2CCCC2)c1 ZINC000181864556 822020500 /nfs/dbraw/zinc/02/05/00/822020500.db2.gz KMBSSGFUBLPFRN-HTAPYJJXSA-N 1 0 388.939 4.169 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)c1ccccc1Br)c1cccc(N2CCCC2)c1 ZINC000181877956 822024074 /nfs/dbraw/zinc/02/40/74/822024074.db2.gz MTIXRLLZFCVZJA-FOIQADDNSA-N 1 0 389.337 4.434 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1F)c1cccc(N2CCCC2)c1 ZINC000181877066 822024090 /nfs/dbraw/zinc/02/40/90/822024090.db2.gz VMGKMWMWLQUMPB-CQSZACIVSA-N 1 0 375.875 4.369 20 0 GIADRO CC[C@H](NC(=O)NCC[C@H](C)[NH+]1CCCCC1)c1nc(C(F)(F)F)cs1 ZINC000181881351 822025452 /nfs/dbraw/zinc/02/54/52/822025452.db2.gz HKSDEBRGZDPHGO-STQMWFEESA-N 1 0 392.491 4.177 20 0 GIADRO C[C@H](C[NH2+][C@@H](c1ccccc1)c1cc(Cl)ccc1Cl)CS(C)(=O)=O ZINC000181888252 822027388 /nfs/dbraw/zinc/02/73/88/822027388.db2.gz GGBXEGWDGYEQLZ-ACJLOTCBSA-N 1 0 386.344 4.353 20 0 GIADRO CCOc1cc(Cl)ccc1C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000181895392 822029802 /nfs/dbraw/zinc/02/98/02/822029802.db2.gz NEWNXOVEIHLURF-UHFFFAOYSA-N 1 0 386.923 4.475 20 0 GIADRO CC(C)Sc1ccccc1NC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000181898555 822030690 /nfs/dbraw/zinc/03/06/90/822030690.db2.gz DYAJRCPLPXLEJJ-IBGZPJMESA-N 1 0 399.560 4.075 20 0 GIADRO CC[C@@H](c1nnc(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)s1)c1ccccc1 ZINC000181900128 822031055 /nfs/dbraw/zinc/03/10/55/822031055.db2.gz OSXOAFRXHAUFPG-SJLPKXTDSA-N 1 0 399.564 4.030 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N1CCC[C@H](C(F)(F)F)C1)c1cccc(OC(F)(F)F)c1 ZINC000181906347 822033162 /nfs/dbraw/zinc/03/31/62/822033162.db2.gz MCRXZWWQAAQNKE-YPMHNXCESA-N 1 0 398.347 4.037 20 0 GIADRO Cc1cc(NC(=O)C[NH2+][C@@H](C)c2cccc(OC(F)(F)F)c2)n(C(C)(C)C)n1 ZINC000181907702 822033757 /nfs/dbraw/zinc/03/37/57/822033757.db2.gz VTISPCOHSHGSJA-ZDUSSCGKSA-N 1 0 398.429 4.134 20 0 GIADRO C[C@@H]([NH2+]Cc1cn2cc(Cl)cc(Cl)c2n1)c1ccc(-n2cncn2)cc1 ZINC000181909585 822034710 /nfs/dbraw/zinc/03/47/10/822034710.db2.gz YFUCYNPWNBVNLX-GFCCVEGCSA-N 1 0 387.274 4.073 20 0 GIADRO CCOC(=O)N1CCC([NH2+][C@H](C)c2ccc(OCC(C)C)c(OC)c2)CC1 ZINC000181917143 822036067 /nfs/dbraw/zinc/03/60/67/822036067.db2.gz WPTVSKZFDJQIII-MRXNPFEDSA-N 1 0 378.513 4.002 20 0 GIADRO CCOC(=O)N1CCC([NH2+][C@@H](C)c2ccc(OCC(C)C)c(OC)c2)CC1 ZINC000181917120 822036107 /nfs/dbraw/zinc/03/61/07/822036107.db2.gz WPTVSKZFDJQIII-INIZCTEOSA-N 1 0 378.513 4.002 20 0 GIADRO CCOC(=O)N1CCC([NH2+][C@@H](c2ccc(F)cc2)c2ccc(OC)cc2)CC1 ZINC000181917491 822036129 /nfs/dbraw/zinc/03/61/29/822036129.db2.gz ZWFQPGYJODCJGO-NRFANRHFSA-N 1 0 386.467 4.134 20 0 GIADRO CC(C)n1nc(-c2ccccc2)cc1NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000181932299 822039277 /nfs/dbraw/zinc/03/92/77/822039277.db2.gz NWKYLAPVYFZKGM-GOSISDBHSA-N 1 0 381.524 4.081 20 0 GIADRO CC(C)C(=O)N1CCC([NH2+]C2CCC(O)(c3ccc(C(C)C)cc3)CC2)CC1 ZINC000181937281 822040170 /nfs/dbraw/zinc/04/01/70/822040170.db2.gz VSUQHJAMVKLZPT-UHFFFAOYSA-N 1 0 386.580 4.177 20 0 GIADRO CCC(CC)[C@@H]1C[C@@H](NC(=O)N(CC)Cc2ccc(C[NH+](C)C)cc2)CCO1 ZINC000181958709 822046130 /nfs/dbraw/zinc/04/61/30/822046130.db2.gz PZYWEBZVRQYRCN-VXKWHMMOSA-N 1 0 389.584 4.264 20 0 GIADRO CN(CCC[NH+](C)C)C(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1 ZINC000181965585 822047511 /nfs/dbraw/zinc/04/75/11/822047511.db2.gz UGZZSKTXOAAIKX-UHFFFAOYSA-N 1 0 381.451 4.171 20 0 GIADRO CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@H](O)COc2cccc(Cl)c2Cl)cc1 ZINC000181999569 822058323 /nfs/dbraw/zinc/05/83/23/822058323.db2.gz SUXXHJWWZXZPSO-LRDDRELGSA-N 1 0 397.302 4.042 20 0 GIADRO COCc1nc2n(n1)C[C@H]([NH2+][C@H](CC(C)(C)C)c1ccc(Cl)cc1)CC2 ZINC000182012905 822062363 /nfs/dbraw/zinc/06/23/63/822062363.db2.gz HFWLUISHAAZTTN-IAGOWNOFSA-N 1 0 376.932 4.160 20 0 GIADRO COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N(C)CCC[NH+](C)C)cc1 ZINC000182018265 822064323 /nfs/dbraw/zinc/06/43/23/822064323.db2.gz NERHNKXGDFYGOO-UHFFFAOYSA-N 1 0 393.531 4.186 20 0 GIADRO C[C@@H](NCc1coc(-c2ccc(F)c(F)c2)n1)c1ccc(-n2ccnn2)cc1 ZINC000182021978 822065509 /nfs/dbraw/zinc/06/55/09/822065509.db2.gz MIIFQCTVSVKISZ-CYBMUJFWSA-N 1 0 381.386 4.051 20 0 GIADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cc(C)ccc1SC1CCCC1 ZINC000182053612 822075546 /nfs/dbraw/zinc/07/55/46/822075546.db2.gz HKWKUAXIWHBOHZ-KRWDZBQOSA-N 1 0 378.582 4.116 20 0 GIADRO C[C@H](CC(=O)Nc1ccccc1C[NH+]1CCC(O)CC1)c1ccc(F)cc1F ZINC000182057584 822076755 /nfs/dbraw/zinc/07/67/55/822076755.db2.gz DEWDPXWFTNKLKA-OAHLLOKOSA-N 1 0 388.458 4.054 20 0 GIADRO COc1ccc([C@@H]([NH2+]Cc2csc(-c3ccc(C(N)=O)cc3)n2)C(C)C)cc1 ZINC000182059526 822077698 /nfs/dbraw/zinc/07/76/98/822077698.db2.gz BOGYGIPJSLWBNB-FQEVSTJZSA-N 1 0 395.528 4.405 20 0 GIADRO C[C@H](C[NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1)Cc1ccccc1 ZINC000182061795 822078306 /nfs/dbraw/zinc/07/83/06/822078306.db2.gz LAOAKFDEUJESFV-IBGZPJMESA-N 1 0 388.515 4.372 20 0 GIADRO CCOc1c(Br)cc(C[N@H+](C)[C@H](C)c2ccccn2)cc1OC ZINC000182064350 822079244 /nfs/dbraw/zinc/07/92/44/822079244.db2.gz WWBVVXIVWLCRCM-CYBMUJFWSA-N 1 0 379.298 4.444 20 0 GIADRO O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)c1cccc(C(F)(F)F)c1F ZINC000182065833 822079452 /nfs/dbraw/zinc/07/94/52/822079452.db2.gz OVTIZVUNSUGEEF-UHFFFAOYSA-N 1 0 396.384 4.054 20 0 GIADRO COC(=O)c1ccc(C[NH2+][C@H](C)c2ccc(OC)c(Br)c2)cc1F ZINC000182068306 822080474 /nfs/dbraw/zinc/08/04/74/822080474.db2.gz AXFNEOYEWRUNCI-LLVKDONJSA-N 1 0 396.256 4.234 20 0 GIADRO CC/C(=C\C(=O)Nc1ccccc1C[NH+]1CCC(O)CC1)c1ccc(OC)cc1 ZINC000182069018 822080660 /nfs/dbraw/zinc/08/06/60/822080660.db2.gz CJDMWPWZRNPYBX-FBMGVBCBSA-N 1 0 394.515 4.084 20 0 GIADRO C[C@H](Cc1ccc(Cl)cc1)C(=O)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC000182068200 822080868 /nfs/dbraw/zinc/08/08/68/822080868.db2.gz MGRBWOMODLDERC-MRXNPFEDSA-N 1 0 386.923 4.114 20 0 GIADRO C[S@](=O)C[C@@H]([NH2+]Cc1cccc(OCc2ccccc2)c1)c1ccccc1 ZINC000182100072 822093533 /nfs/dbraw/zinc/09/35/33/822093533.db2.gz GPODLUVKQAHNGZ-KCWPFWIISA-N 1 0 379.525 4.475 20 0 GIADRO CCCOc1c(Cl)cc(C[NH2+][C@H](C[S@](C)=O)c2ccccc2)cc1OC ZINC000182107157 822096848 /nfs/dbraw/zinc/09/68/48/822096848.db2.gz QJQACVHOMCXVSZ-DWXRJYCRSA-N 1 0 395.952 4.347 20 0 GIADRO CC(=O)Nc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC000182111288 822097998 /nfs/dbraw/zinc/09/79/98/822097998.db2.gz UQQCNQULPDVWSR-NIKGAXFTSA-N 1 0 375.513 4.132 20 0 GIADRO C[C@H](Nc1cccc(OC[C@@H]2CCCO2)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000182126872 822106040 /nfs/dbraw/zinc/10/60/40/822106040.db2.gz FOZHDPOWANMMMJ-MBSDFSHPSA-N 1 0 384.520 4.358 20 0 GIADRO O=C(c1ccc(C[NH2+][C@@H]2CCCOc3cc(F)ccc32)cc1)N1CCCCC1 ZINC000182127522 822107218 /nfs/dbraw/zinc/10/72/18/822107218.db2.gz FLOQYQJTYXBRKN-OAQYLSRUSA-N 1 0 382.479 4.455 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000182141904 822114172 /nfs/dbraw/zinc/11/41/72/822114172.db2.gz KJQLQPJAVKUOMW-HNNXBMFYSA-N 1 0 380.488 4.377 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)cc(OC)c1OC ZINC000182155016 822121201 /nfs/dbraw/zinc/12/12/01/822121201.db2.gz NNGAFVSPHBERKG-WYAVIUHXSA-N 1 0 393.430 4.171 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCCOc2c(Cl)cccc21)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000182181687 822135870 /nfs/dbraw/zinc/13/58/70/822135870.db2.gz MJXZPBBRQYCJIH-SJKOYZFVSA-N 1 0 397.899 4.447 20 0 GIADRO CC(C)n1cnnc1[C@H]1CCC[N@H+](CCCc2ccccc2Br)C1 ZINC000182210348 822148393 /nfs/dbraw/zinc/14/83/93/822148393.db2.gz YYRJUTSNILEVGK-KRWDZBQOSA-N 1 0 391.357 4.434 20 0 GIADRO CN(C)C(=O)CC1CC[NH+]([C@H]2CCCc3ccc(Br)cc32)CC1 ZINC000182227897 822157220 /nfs/dbraw/zinc/15/72/20/822157220.db2.gz WVBSNVRTRMUQNW-SFHVURJKSA-N 1 0 379.342 4.017 20 0 GIADRO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1nc(-c2ccccc2)cs1 ZINC000182262053 822175446 /nfs/dbraw/zinc/17/54/46/822175446.db2.gz AJHYNEVYVFEYIK-UWJYYQICSA-N 1 0 393.556 4.228 20 0 GIADRO C[C@@H]([NH2+]C1(c2cccc(Br)c2)CC1)c1ccc(-n2cncn2)cc1 ZINC000182274043 822182344 /nfs/dbraw/zinc/18/23/44/822182344.db2.gz CWDCHTFQGFFNFL-CQSZACIVSA-N 1 0 383.293 4.370 20 0 GIADRO CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000182335148 822205917 /nfs/dbraw/zinc/20/59/17/822205917.db2.gz YPWNUKPNEYXBHN-CYBMUJFWSA-N 1 0 387.423 4.230 20 0 GIADRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)cc1 ZINC000182336315 822206669 /nfs/dbraw/zinc/20/66/69/822206669.db2.gz MAYWXEPSAYGVOG-APWZRJJASA-N 1 0 377.444 4.210 20 0 GIADRO O=C(Nc1nccs1)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000182354594 822212012 /nfs/dbraw/zinc/21/20/12/822212012.db2.gz AFTSMKWMFWVBNX-UHFFFAOYSA-N 1 0 385.320 4.236 20 0 GIADRO Cc1cccnc1NC(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000182354338 822212300 /nfs/dbraw/zinc/21/23/00/822212300.db2.gz RKSHZMVRECUXSM-UHFFFAOYSA-N 1 0 393.318 4.483 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3cnc4ccc(F)cc4c3)cc2)CC1 ZINC000182355354 822213051 /nfs/dbraw/zinc/21/30/51/822213051.db2.gz NQLDIUNEOSKGBO-UHFFFAOYSA-N 1 0 392.478 4.157 20 0 GIADRO Cc1cccc(OCCC(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)c1C ZINC000182357151 822213475 /nfs/dbraw/zinc/21/34/75/822213475.db2.gz INTNNQONGWTMCR-UHFFFAOYSA-N 1 0 395.547 4.241 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H]3C[C@H]3c3c(F)cccc3F)cc2)CC1 ZINC000182359722 822214510 /nfs/dbraw/zinc/21/45/10/822214510.db2.gz NNLQVHURABEVEB-RTBURBONSA-N 1 0 399.485 4.237 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3cnc(C(C)(C)C)s3)cc2)CC1 ZINC000182369018 822217787 /nfs/dbraw/zinc/21/77/87/822217787.db2.gz MPBYEXKFLMHAOE-UHFFFAOYSA-N 1 0 386.565 4.223 20 0 GIADRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)C(=O)N[C@H](C)c2ccc3ccccc3c2)c1 ZINC000182375580 822220320 /nfs/dbraw/zinc/22/03/20/822220320.db2.gz NWUVUMADVSLAPP-IKGGRYGDSA-N 1 0 392.499 4.471 20 0 GIADRO C[C@H](NC(=O)NCc1ccc(C(F)(F)F)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182379738 822221810 /nfs/dbraw/zinc/22/18/10/822221810.db2.gz SELAMVRPMVXEBQ-GOEBONIOSA-N 1 0 383.458 4.158 20 0 GIADRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000182384634 822224153 /nfs/dbraw/zinc/22/41/53/822224153.db2.gz CMKOPBFZRLFBPS-VXGBXAGGSA-N 1 0 382.382 4.097 20 0 GIADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)N[C@@H](c2ccccc2)c2ccc(F)cc2)C1 ZINC000182394431 822227615 /nfs/dbraw/zinc/22/76/15/822227615.db2.gz FRSPMOJXIYYVSC-FCEUIQTBSA-N 1 0 381.495 4.041 20 0 GIADRO CC1(C)[C@H]([NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)C[C@H]1OCc1ccccc1 ZINC000182396197 822228323 /nfs/dbraw/zinc/22/83/23/822228323.db2.gz ZJZUZMKUCKDXRW-YTFSRNRJSA-N 1 0 392.543 4.009 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[NH2+][C@@H](C)c2ccc(C(F)(F)F)cc2)c1 ZINC000182424123 822238475 /nfs/dbraw/zinc/23/84/75/822238475.db2.gz ZZAFPNCBRFEYIQ-LBPRGKRZSA-N 1 0 382.382 4.012 20 0 GIADRO COc1ccc(NC(=O)CC[NH2+][C@H](C)c2ccc(-c3cccnc3)cc2)cc1 ZINC000182443866 822244790 /nfs/dbraw/zinc/24/47/90/822244790.db2.gz PCYPQLGDLGNFRK-QGZVFWFLSA-N 1 0 375.472 4.437 20 0 GIADRO Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+][C@H](C)C(=O)NCc1ccccc1 ZINC000177945278 822252297 /nfs/dbraw/zinc/25/22/97/822252297.db2.gz OVNKOUYZMPCUPX-SJLPKXTDSA-N 1 0 393.556 4.398 20 0 GIADRO Cc1cnc([C@H](C)NC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000177952346 822255460 /nfs/dbraw/zinc/25/54/60/822255460.db2.gz URAVMYAWQBTBGM-KBXCAEBGSA-N 1 0 397.466 4.083 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2cnc(-c3ccncc3)s2)CC1 ZINC000177964518 822260249 /nfs/dbraw/zinc/26/02/49/822260249.db2.gz NGZWGUQMMHXIRS-KRWDZBQOSA-N 1 0 398.576 4.322 20 0 GIADRO C[C@H]([NH2+]Cc1ccccc1N1CCOCC1)[C@H](C)c1nc2ccccc2s1 ZINC000177964217 822260323 /nfs/dbraw/zinc/26/03/23/822260323.db2.gz ZYJQLOXOAJSXSW-IRXDYDNUSA-N 1 0 381.545 4.415 20 0 GIADRO FC(F)(F)Oc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1N1CCOCC1)CC2 ZINC000177965250 822261001 /nfs/dbraw/zinc/26/10/01/822261001.db2.gz PWMHCKYDJAANER-LJQANCHMSA-N 1 0 392.421 4.199 20 0 GIADRO Cc1c(C(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)oc2c1C(=O)CCC2 ZINC000177971434 822263263 /nfs/dbraw/zinc/26/32/63/822263263.db2.gz TYGRSUAOYVOIGO-MRXNPFEDSA-N 1 0 386.536 4.224 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCSc2c(F)cccc21)c1ccc(NS(C)(=O)=O)cc1 ZINC000177971669 822263334 /nfs/dbraw/zinc/26/33/34/822263334.db2.gz LKKCEZBHMMNUSA-SJKOYZFVSA-N 1 0 380.510 4.085 20 0 GIADRO CC[C@@H]([NH2+]C[C@@H](O)COC(c1ccccc1)c1ccccc1)c1c(C)noc1C ZINC000182491718 822264665 /nfs/dbraw/zinc/26/46/65/822264665.db2.gz OFCGNIUZULKPQZ-FGZHOGPDSA-N 1 0 394.515 4.499 20 0 GIADRO CC(=O)c1ccc(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000182499468 822269566 /nfs/dbraw/zinc/26/95/66/822269566.db2.gz FROMQMCGRICQLK-UHFFFAOYSA-N 1 0 385.895 4.329 20 0 GIADRO COC[C@H]([NH2+]C1CCN(Cc2ccc(F)cc2)CC1)c1ccc(F)c(F)c1 ZINC000182505032 822271951 /nfs/dbraw/zinc/27/19/51/822271951.db2.gz WRSAYQCSWOUZEU-NRFANRHFSA-N 1 0 378.438 4.046 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(CN2CCCC2=O)c1)c1ccccc1Br ZINC000177992637 822273795 /nfs/dbraw/zinc/27/37/95/822273795.db2.gz IYRSFLVIJAZWPZ-HNNXBMFYSA-N 1 0 387.321 4.422 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CC(=O)N(Cc2ccco2)c2ccccc2)c1 ZINC000182526926 822283795 /nfs/dbraw/zinc/28/37/95/822283795.db2.gz RZEGOTHPWJPRTD-QGZVFWFLSA-N 1 0 391.471 4.122 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CC(=O)N[C@@H](C)c2cccc3ccccc32)c1 ZINC000182527176 822284317 /nfs/dbraw/zinc/28/43/17/822284317.db2.gz CTQDNWFZPZWJQF-SJORKVTESA-N 1 0 389.499 4.326 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCCO2)c1ccc(N2CCOC2=O)cc1 ZINC000178020360 822285112 /nfs/dbraw/zinc/28/51/12/822285112.db2.gz ZNIDPVACGMAVSD-CVEARBPZSA-N 1 0 382.460 4.216 20 0 GIADRO C[C@@H](C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1)c1ccccc1 ZINC000182528707 822285141 /nfs/dbraw/zinc/28/51/41/822285141.db2.gz XDNUMGFRVAFCHC-GOSISDBHSA-N 1 0 379.504 4.243 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc2c(c1)OCCCO2)c1cccc(N2CCCC2=O)c1 ZINC000178020992 822285751 /nfs/dbraw/zinc/28/57/51/822285751.db2.gz SFUJWJCSICSAMF-IAGOWNOFSA-N 1 0 380.488 4.387 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(N3CCc4sccc4C3)cc2)C1 ZINC000178025926 822288098 /nfs/dbraw/zinc/28/80/98/822288098.db2.gz GSZJEHCKYVWGCU-QGZVFWFLSA-N 1 0 398.576 4.116 20 0 GIADRO CC[C@H]([NH2+][C@H]1CCSc2ccccc21)c1ccccc1OCC(=O)N(C)C ZINC000178027935 822289651 /nfs/dbraw/zinc/28/96/51/822289651.db2.gz LKKLCIPHSYVNQF-OALUTQOASA-N 1 0 384.545 4.431 20 0 GIADRO CCC[C@H]1C[C@@H](C(=O)Nc2cc(Cl)ccc2N2CC[NH+](CC)CC2)CCO1 ZINC000182538041 822290190 /nfs/dbraw/zinc/29/01/90/822290190.db2.gz FEURJBBMIFHBIV-WMZOPIPTSA-N 1 0 393.959 4.016 20 0 GIADRO Brc1ccc([C@@H](NC[C@@H]2CC[N@@H+](C3CC3)C2)c2ccco2)cc1 ZINC000182541274 822292290 /nfs/dbraw/zinc/29/22/90/822292290.db2.gz WQTNRVIECHREEL-IFXJQAMLSA-N 1 0 375.310 4.205 20 0 GIADRO COc1cc(C)c([C@H](C)[NH2+][C@@H](C)CC(=O)Nc2cccnc2Cl)cc1OC ZINC000178036122 822292771 /nfs/dbraw/zinc/29/27/71/822292771.db2.gz HAGIPGVTJIJQFG-KBPBESRZSA-N 1 0 391.899 4.129 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)c1 ZINC000182544686 822294161 /nfs/dbraw/zinc/29/41/61/822294161.db2.gz QZYWQVPISKUADV-IAGOWNOFSA-N 1 0 393.531 4.052 20 0 GIADRO CCN(CC)C(=O)CCC1CC[NH+](Cc2coc(-c3ccc(F)cc3)n2)CC1 ZINC000182546293 822295099 /nfs/dbraw/zinc/29/50/99/822295099.db2.gz VVIJZQXXCUFOPC-UHFFFAOYSA-N 1 0 387.499 4.341 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(C)c(Oc3cc(C)ccn3)c2)C1 ZINC000178042639 822296060 /nfs/dbraw/zinc/29/60/60/822296060.db2.gz LIVHSVPAZOGOAI-SFHVURJKSA-N 1 0 382.508 4.296 20 0 GIADRO CCN(CC)C(=O)CCC1CC[NH+](Cc2ccc(-n3nc(C)cc3C)cc2)CC1 ZINC000182548196 822296316 /nfs/dbraw/zinc/29/63/16/822296316.db2.gz YKMIMCARTBHQCV-UHFFFAOYSA-N 1 0 396.579 4.350 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]Cc1cccnc1-n1cncn1 ZINC000178048389 822299734 /nfs/dbraw/zinc/29/97/34/822299734.db2.gz MKUHUVHQGKNLPH-OAHLLOKOSA-N 1 0 390.516 4.253 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+]CC(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000182555458 822299917 /nfs/dbraw/zinc/29/99/17/822299917.db2.gz XZYTXQWZTGSBSF-NSHDSACASA-N 1 0 380.275 4.241 20 0 GIADRO C[C@@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccc(SCC(F)(F)F)cc1 ZINC000178048568 822299912 /nfs/dbraw/zinc/29/99/12/822299912.db2.gz SODDQZZNDRJCQD-CYBMUJFWSA-N 1 0 393.438 4.168 20 0 GIADRO Cc1cc(C[NH+]2CCC(OCCCNC(=O)OC(C)(C)C)CC2)c(C)s1 ZINC000178064920 822306540 /nfs/dbraw/zinc/30/65/40/822306540.db2.gz NYKNPYBMMOIMRM-UHFFFAOYSA-N 1 0 382.570 4.261 20 0 GIADRO C[N@H+](Cc1cc(=O)n2nccc2[nH]1)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000178068278 822308181 /nfs/dbraw/zinc/30/81/81/822308181.db2.gz HCLQTSOJPXYEJT-OAQYLSRUSA-N 1 0 396.853 4.037 20 0 GIADRO CCN(CC)C(=O)CCC1CC[NH+]([C@@H](C)c2nnc(-c3ccc(C)cc3)o2)CC1 ZINC000182574482 822308490 /nfs/dbraw/zinc/30/84/90/822308490.db2.gz VWJXMQZNNKRRTE-SFHVURJKSA-N 1 0 398.551 4.467 20 0 GIADRO CC[C@@H]([NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1)c1nccn1C ZINC000182579130 822310771 /nfs/dbraw/zinc/31/07/71/822310771.db2.gz NTIBIFGJUZTVIG-QGZVFWFLSA-N 1 0 381.442 4.228 20 0 GIADRO COC[C@H]([NH2+]CC1(c2ccccc2C)CCOCC1)c1ccc(F)c(F)c1 ZINC000182585790 822312900 /nfs/dbraw/zinc/31/29/00/822312900.db2.gz XVNHDXODSSPWBE-NRFANRHFSA-N 1 0 375.459 4.299 20 0 GIADRO COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCc3cc(Cl)ccc32)c(OC)c1 ZINC000178085340 822313564 /nfs/dbraw/zinc/31/35/64/822313564.db2.gz PRWLQFOLFKGGJL-ACJLOTCBSA-N 1 0 388.895 4.351 20 0 GIADRO COCCC[C@H](C)[NH2+][C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000178109294 822323101 /nfs/dbraw/zinc/32/31/01/822323101.db2.gz NYVKDWSYKBKOEV-YWZLYKJASA-N 1 0 395.952 4.238 20 0 GIADRO CC[C@@H](C)[N@H+](CCCc1ccccc1OC)Cc1nc2ccccc2c(=O)[nH]1 ZINC000182615297 822323560 /nfs/dbraw/zinc/32/35/60/822323560.db2.gz ZDUGJZQQTCVGHL-QGZVFWFLSA-N 1 0 379.504 4.165 20 0 GIADRO O=C(c1ccccc1Cl)N1CCC([NH2+][C@H](c2ccccc2)[C@H]2CCCO2)CC1 ZINC000178119358 822325120 /nfs/dbraw/zinc/32/51/20/822325120.db2.gz MECVAVWZRUIEPN-FGZHOGPDSA-N 1 0 398.934 4.455 20 0 GIADRO O=C(c1ccccc1Cl)N1CCC([NH2+][C@@H](c2ccccc2)[C@H]2CCCO2)CC1 ZINC000178119347 822325238 /nfs/dbraw/zinc/32/52/38/822325238.db2.gz MECVAVWZRUIEPN-YADHBBJMSA-N 1 0 398.934 4.455 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+][C@@H](c2ccccc2)[C@@H]2CCCO2)cc1 ZINC000178122825 822326230 /nfs/dbraw/zinc/32/62/30/822326230.db2.gz ANXJVTVGHXCDEJ-CZAAIQMYSA-N 1 0 388.533 4.019 20 0 GIADRO CC[C@H]([NH2+][C@H](c1ccccc1)[C@@H]1CCCO1)c1ccccc1OCC(=O)N(C)C ZINC000178123565 822326705 /nfs/dbraw/zinc/32/67/05/822326705.db2.gz ZKUJAOJVZGPHBO-ODGPQVTHSA-N 1 0 396.531 4.115 20 0 GIADRO C[C@H](NC(=O)[C@H](C)[NH2+][C@@H](C)c1cc2ccccc2o1)c1ccc2c(c1)OCCO2 ZINC000182629118 822329992 /nfs/dbraw/zinc/32/99/92/822329992.db2.gz VONZYKALJOZLRR-JYJNAYRXSA-N 1 0 394.471 4.121 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@H](C)c2ccc(OC(C)C)cc2)ccc1S(C)(=O)=O ZINC000178142800 822331458 /nfs/dbraw/zinc/33/14/58/822331458.db2.gz ZPGBWJOPWIXYMS-CVEARBPZSA-N 1 0 391.533 4.298 20 0 GIADRO COCCOc1cc(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)ccn1 ZINC000182633884 822331773 /nfs/dbraw/zinc/33/17/73/822331773.db2.gz PRYVKNXIFJONAO-UHFFFAOYSA-N 1 0 397.519 4.124 20 0 GIADRO C[C@H](Nc1ccc(N2CC[NH+](C)CC2)cc1)c1ccc(Br)s1 ZINC000182633471 822331897 /nfs/dbraw/zinc/33/18/97/822331897.db2.gz ABLASHFQAAMGRX-ZDUSSCGKSA-N 1 0 380.355 4.436 20 0 GIADRO CC(C)Oc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)cc1 ZINC000178142883 822331972 /nfs/dbraw/zinc/33/19/72/822331972.db2.gz HKGIFJALBXRNEO-LSDHHAIUSA-N 1 0 379.497 4.428 20 0 GIADRO COC(=O)[C@H](C)Oc1ccc(C[NH2+][C@@H](C)c2cccc(OC(F)(F)F)c2)cc1 ZINC000182633869 822332123 /nfs/dbraw/zinc/33/21/23/822332123.db2.gz UNBOHXATOOVUJS-KBPBESRZSA-N 1 0 397.393 4.376 20 0 GIADRO C[NH+](C)CCN(CCCc1ccccc1)C(=O)Nc1ccc(-c2ncco2)cc1 ZINC000182636980 822333646 /nfs/dbraw/zinc/33/36/46/822333646.db2.gz JTALXLTZMFIUCU-UHFFFAOYSA-N 1 0 392.503 4.370 20 0 GIADRO COc1cc(C)c([C@H](C)NC(=O)C[NH2+][C@@H](C)c2cc3ccccc3o2)cc1OC ZINC000182639435 822334422 /nfs/dbraw/zinc/33/44/22/822334422.db2.gz BIFZPDMAEAMLLO-HOTGVXAUSA-N 1 0 396.487 4.286 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000182638701 822334454 /nfs/dbraw/zinc/33/44/54/822334454.db2.gz UTUMOTIRCVCHKQ-SFHVURJKSA-N 1 0 375.520 4.106 20 0 GIADRO C[C@@H](NC(=O)NCc1csc(-c2ccccc2)n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182642974 822335742 /nfs/dbraw/zinc/33/57/42/822335742.db2.gz SZSWTHYXNIURIG-SJLPKXTDSA-N 1 0 398.576 4.262 20 0 GIADRO Fc1cccc2c1SCC[C@H]2[NH2+]C[C@@H](c1cccs1)N1CCOCC1 ZINC000178156517 822336630 /nfs/dbraw/zinc/33/66/30/822336630.db2.gz HKUVCTPHZQWCJN-SJORKVTESA-N 1 0 378.538 4.087 20 0 GIADRO CC[C@H](C)[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(CO)cc1 ZINC000182644675 822336681 /nfs/dbraw/zinc/33/66/81/822336681.db2.gz SZTAUEXJJVYLFT-HNNXBMFYSA-N 1 0 394.437 4.437 20 0 GIADRO C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CC(C)(C)CCO ZINC000178166091 822338780 /nfs/dbraw/zinc/33/87/80/822338780.db2.gz ZADOGIKBJIDKSZ-NSHDSACASA-N 1 0 380.838 4.074 20 0 GIADRO CCCOc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)cc1 ZINC000178174017 822342220 /nfs/dbraw/zinc/34/22/20/822342220.db2.gz ZIGUZKZDCKQSAE-GJZGRUSLSA-N 1 0 379.497 4.430 20 0 GIADRO COc1ccc([C@@H](C)Nc2cnn(CC(F)F)c2)cc1C[NH+]1CCCCC1 ZINC000182661240 822342903 /nfs/dbraw/zinc/34/29/03/822342903.db2.gz PPDCDLRNSGLXGD-OAHLLOKOSA-N 1 0 378.467 4.316 20 0 GIADRO C[C@@H]([NH2+]Cc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1)c1ccsc1 ZINC000178181916 822344885 /nfs/dbraw/zinc/34/48/85/822344885.db2.gz DJQAQOARBHOFIX-QGZVFWFLSA-N 1 0 396.535 4.460 20 0 GIADRO CC[C@@H](C)[N@H+](CCCn1ccnc1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000182673234 822347051 /nfs/dbraw/zinc/34/70/51/822347051.db2.gz ZCSATKJNNVIBCG-OAHLLOKOSA-N 1 0 382.430 4.031 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1ccc(SCC(F)(F)F)cc1 ZINC000178190453 822347639 /nfs/dbraw/zinc/34/76/39/822347639.db2.gz MFEIFQDHGXVYIT-GOEBONIOSA-N 1 0 396.482 4.451 20 0 GIADRO COC(=O)[C@@H](C)Oc1ccc(C[NH2+]C2(c3ccc(F)cc3F)CCC2)cc1 ZINC000182676277 822348483 /nfs/dbraw/zinc/34/84/83/822348483.db2.gz ZKUMJYQYKKZWMR-CQSZACIVSA-N 1 0 375.415 4.074 20 0 GIADRO C[C@H]([NH2+]C[C@H](c1ccc(F)cc1)N1CCOCC1)c1ccc2ccccc2n1 ZINC000178197439 822349425 /nfs/dbraw/zinc/34/94/25/822349425.db2.gz OJSFXWXCSSWYHE-GAJHUEQPSA-N 1 0 379.479 4.098 20 0 GIADRO Cc1ccccc1CN(Cc1cccnc1)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000182683153 822350675 /nfs/dbraw/zinc/35/06/75/822350675.db2.gz FCEVESQZCDIGMO-NRFANRHFSA-N 1 0 394.563 4.366 20 0 GIADRO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CC(=O)Nc1ccc(F)c(F)c1F ZINC000178202849 822351185 /nfs/dbraw/zinc/35/11/85/822351185.db2.gz GUTSSKXCBJWAAI-SECBINFHSA-N 1 0 385.455 4.456 20 0 GIADRO CC(C)Sc1ccc([C@H](C)NC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC000182693070 822352966 /nfs/dbraw/zinc/35/29/66/822352966.db2.gz WRUHNZHLGLTKDD-HQRMLTQVSA-N 1 0 375.582 4.374 20 0 GIADRO O=C(C[NH+]1CCCCCCC1)Nc1ccc(NCc2cnn3ccccc23)cc1 ZINC000178214924 822354228 /nfs/dbraw/zinc/35/42/28/822354228.db2.gz XDEAZDBQQRJVRE-UHFFFAOYSA-N 1 0 391.519 4.151 20 0 GIADRO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](CCC(=O)c2ccc(F)cc2)C1 ZINC000182701106 822355047 /nfs/dbraw/zinc/35/50/47/822355047.db2.gz MHQFGLFZMRZGOU-WBVHZDCISA-N 1 0 378.488 4.024 20 0 GIADRO C[C@H](CN(C)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1nccs1 ZINC000182701267 822355119 /nfs/dbraw/zinc/35/51/19/822355119.db2.gz RHFVLRFDCDTCOL-SJORKVTESA-N 1 0 386.565 4.114 20 0 GIADRO C[C@H]([NH3+])c1ccc(NC(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)cc1 ZINC000178219139 822355176 /nfs/dbraw/zinc/35/51/76/822355176.db2.gz HREYGOUKVDPUNP-DZIBYMRMSA-N 1 0 385.552 4.290 20 0 GIADRO C[C@H]([NH2+]C1CCN(Cc2ccncc2)CC1)c1cc(Br)ccc1F ZINC000178233555 822357101 /nfs/dbraw/zinc/35/71/01/822357101.db2.gz OHMARYROGIKQAY-AWEZNQCLSA-N 1 0 392.316 4.298 20 0 GIADRO Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000178240477 822357681 /nfs/dbraw/zinc/35/76/81/822357681.db2.gz ODMSZVHPTWEUOC-KRWDZBQOSA-N 1 0 390.531 4.448 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)cc1OC ZINC000182724410 822358112 /nfs/dbraw/zinc/35/81/12/822358112.db2.gz GDFTUBUZRDTKCI-WBVHZDCISA-N 1 0 378.513 4.144 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@H]1Cc1ccccc1 ZINC000045029681 822358184 /nfs/dbraw/zinc/35/81/84/822358184.db2.gz VZEGHFYZEYLGEW-QHCPKHFHSA-N 1 0 377.532 4.068 20 0 GIADRO COc1ccc([C@H](Cc2ccccc2)[NH2+][C@@H]2CCO[C@@H](c3nccn3C)C2)cc1 ZINC000453405471 822358406 /nfs/dbraw/zinc/35/84/06/822358406.db2.gz SPBODRCPICZLAA-AKIFATBCSA-N 1 0 391.515 4.222 20 0 GIADRO Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+][C@H]1CCO[C@@H](c2nccn2C)C1 ZINC000453405415 822358442 /nfs/dbraw/zinc/35/84/42/822358442.db2.gz SKQKIBZFZYBEFZ-RYQLBKOJSA-N 1 0 375.900 4.106 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+][C@@H]1CCCN(c2ccccc2)C1=O ZINC000178251839 822358712 /nfs/dbraw/zinc/35/87/12/822358712.db2.gz SBNYGWUSIPXEKL-DNVCBOLYSA-N 1 0 392.528 4.360 20 0 GIADRO CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000453408648 822358829 /nfs/dbraw/zinc/35/88/29/822358829.db2.gz QOXYWFUAXNNREQ-ZLGUVYLKSA-N 1 0 379.566 4.401 20 0 GIADRO C[C@H]([NH2+][C@H]1CCO[C@@H](c2nccn2C)C1)C(c1ccccc1)c1ccccc1 ZINC000453411136 822359067 /nfs/dbraw/zinc/35/90/67/822359067.db2.gz XHWROBSOHFMUJX-YUXAGFNASA-N 1 0 375.516 4.450 20 0 GIADRO Cc1cccc([C@@H](C)[NH2+][C@H](C)c2ccc(S(=O)(=O)NCc3ccco3)cc2)c1 ZINC000453412101 822359071 /nfs/dbraw/zinc/35/90/71/822359071.db2.gz XSBHYBJSSRQZAU-QZTJIDSGSA-N 1 0 398.528 4.478 20 0 GIADRO CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000178255560 822359223 /nfs/dbraw/zinc/35/92/23/822359223.db2.gz NPYZAALWTHMDOG-MRFPIMAXSA-N 1 0 397.563 4.002 20 0 GIADRO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)CCc3cc(Cl)cs3)CC2)C[C@H](C)O1 ZINC000178255649 822359340 /nfs/dbraw/zinc/35/93/40/822359340.db2.gz VDCCMQFRYITWFH-IYBDPMFKSA-N 1 0 399.000 4.072 20 0 GIADRO C[C@@]1(C[NH2+][C@H]2CCCc3nc(-c4ccc(Cl)cc4)sc32)CCC(=O)N1 ZINC000453413953 822359520 /nfs/dbraw/zinc/35/95/20/822359520.db2.gz WVKRWYAJJUDAJG-LIRRHRJNSA-N 1 0 375.925 4.099 20 0 GIADRO Brc1ccc2c(c1)OCCC[C@@H]2NC1CC[NH+](CC2CC2)CC1 ZINC000178256866 822359528 /nfs/dbraw/zinc/35/95/28/822359528.db2.gz OIFLELGTCKXRIY-SFHVURJKSA-N 1 0 379.342 4.127 20 0 GIADRO CC[C@@H]([NH2+][C@H](C)c1ccc2c(c1)CCC2)c1ccccc1OCC(=O)N(C)C ZINC000178258830 822360116 /nfs/dbraw/zinc/36/01/16/822360116.db2.gz XBNGJWNWKDXZTD-VGOFRKELSA-N 1 0 380.532 4.444 20 0 GIADRO O=C(Nc1ccc(OCC2CCOCC2)cc1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178259703 822360301 /nfs/dbraw/zinc/36/03/01/822360301.db2.gz JFQZWSAHUWGBDM-IBGZPJMESA-N 1 0 386.536 4.085 20 0 GIADRO CC[C@@H]([NH2+][C@H](c1ccc(Br)cc1C(F)(F)F)C1CC1)C(=O)NC ZINC000453425440 822361263 /nfs/dbraw/zinc/36/12/63/822361263.db2.gz YQVZAMSLKFQCKR-KGLIPLIRSA-N 1 0 393.247 4.033 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccccc1NC(=O)OCc1ccccc1 ZINC000182750940 822362104 /nfs/dbraw/zinc/36/21/04/822362104.db2.gz ANLMIVHZCVZKRK-SFHVURJKSA-N 1 0 395.503 4.040 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)N[C@H]2CCSc3ccc(Cl)cc32)cc1 ZINC000045130214 822364525 /nfs/dbraw/zinc/36/45/25/822364525.db2.gz GKSQUKRDOZTYFD-SFHVURJKSA-N 1 0 389.952 4.438 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)Cc1ccc(F)c(F)c1 ZINC000045132623 822364882 /nfs/dbraw/zinc/36/48/82/822364882.db2.gz QQYJXQGXGFXQJP-UHFFFAOYSA-N 1 0 375.463 4.148 20 0 GIADRO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]Cc1ccccc1CS(C)(=O)=O ZINC000178300659 822365061 /nfs/dbraw/zinc/36/50/61/822365061.db2.gz DJMDLWBBUMDYTR-CYBMUJFWSA-N 1 0 380.579 4.144 20 0 GIADRO CC[NH+](CC)CCCC1CCN(CC(=O)Nc2c(C)cccc2Cl)CC1 ZINC000182771522 822365082 /nfs/dbraw/zinc/36/50/82/822365082.db2.gz YIUPXRCVLUVIII-UHFFFAOYSA-N 1 0 379.976 4.421 20 0 GIADRO CCc1ccc(NC(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1CC ZINC000182772265 822365240 /nfs/dbraw/zinc/36/52/40/822365240.db2.gz WFGRJFLSEOLIOY-UHFFFAOYSA-N 1 0 395.547 4.090 20 0 GIADRO C[C@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1cccc(-c2ccncc2)c1 ZINC000178302882 822365299 /nfs/dbraw/zinc/36/52/99/822365299.db2.gz PAVVGJJJZHZMOE-KRWDZBQOSA-N 1 0 380.513 4.144 20 0 GIADRO COc1ccc([C@@H](Cc2ccncc2)[NH2+][C@H](CO)Cc2ccc(C)c(C)c2)cc1 ZINC000453456641 822367381 /nfs/dbraw/zinc/36/73/81/822367381.db2.gz VARGYWJUDNKDGH-UKILVPOCSA-N 1 0 390.527 4.184 20 0 GIADRO Cc1ccc(CNC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)s1 ZINC000045182307 822368190 /nfs/dbraw/zinc/36/81/90/822368190.db2.gz MFYGSPSSJACECA-UHFFFAOYSA-N 1 0 377.941 4.174 20 0 GIADRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(OC)cc2)cc1 ZINC000178340628 822368881 /nfs/dbraw/zinc/36/88/81/822368881.db2.gz DGHZKIFNAWCVGN-IAGOWNOFSA-N 1 0 390.549 4.138 20 0 GIADRO CCn1c([C@@H]2CC[C@H](C)O2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000453462698 822369269 /nfs/dbraw/zinc/36/92/69/822369269.db2.gz JCEGQHPUDIUSRV-MMKMLUHNSA-N 1 0 397.567 4.027 20 0 GIADRO COC[C@@H](Nc1cccc(C[NH+]2CCSCC2)c1)c1ccc(F)c(F)c1 ZINC000182807025 822370959 /nfs/dbraw/zinc/37/09/59/822370959.db2.gz YXCPZBVRPVRNHW-HXUWFJFHSA-N 1 0 378.488 4.313 20 0 GIADRO C[C@@H](C(=O)Nc1c(F)cccc1F)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000178388731 822374207 /nfs/dbraw/zinc/37/42/07/822374207.db2.gz AGZBZNNNJGQWJO-SJORKVTESA-N 1 0 393.522 4.268 20 0 GIADRO C[C@H](NC(=O)c1ccccc1NC(=O)C(C)(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182840018 822376144 /nfs/dbraw/zinc/37/61/44/822376144.db2.gz VYXHVTUYPFZWKP-DLBZAZTESA-N 1 0 385.552 4.054 20 0 GIADRO Fc1cc2cccnc2c(C[N@@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c1 ZINC000182842150 822376790 /nfs/dbraw/zinc/37/67/90/822376790.db2.gz AATLKNKXJOIMME-INIZCTEOSA-N 1 0 378.373 4.426 20 0 GIADRO C[C@H](NC(=O)N1CCC(OCC2CCCC2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182843264 822376976 /nfs/dbraw/zinc/37/69/76/822376976.db2.gz VQRNCXVEBVUROJ-ICSRJNTNSA-N 1 0 391.600 4.020 20 0 GIADRO C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@@H]1CCCOC1 ZINC000178428891 822378222 /nfs/dbraw/zinc/37/82/22/822378222.db2.gz PJIRWOVEYXTOSS-RYUDHWBXSA-N 1 0 378.822 4.092 20 0 GIADRO O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000178432365 822378475 /nfs/dbraw/zinc/37/84/75/822378475.db2.gz JGDISQFFOQGFOS-QFBILLFUSA-N 1 0 397.519 4.209 20 0 GIADRO C[C@@H]([NH2+]Cc1cc(F)cc(Br)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000178435218 822378868 /nfs/dbraw/zinc/37/88/68/822378868.db2.gz IHWUSNXHMSJMQC-LLVKDONJSA-N 1 0 377.257 4.324 20 0 GIADRO CC[C@@H](C)c1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1Cc1cccs1 ZINC000453502425 822379412 /nfs/dbraw/zinc/37/94/12/822379412.db2.gz RCXWMSRHWAHZQV-DLBZAZTESA-N 1 0 387.597 4.212 20 0 GIADRO O=C(CCc1ccccc1)N1CC[C@@H]([NH2+][C@H]2CCSc3c(F)cccc32)C1 ZINC000178444670 822379689 /nfs/dbraw/zinc/37/96/89/822379689.db2.gz GDPZFQUDTLXVTN-XLIONFOSSA-N 1 0 384.520 4.186 20 0 GIADRO C[C@@H](NC(=O)c1ccccc1C(=O)c1cccs1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182860103 822380721 /nfs/dbraw/zinc/38/07/21/822380721.db2.gz KSEFJJJPBVZGLJ-SJORKVTESA-N 1 0 396.556 4.362 20 0 GIADRO C[C@H](NC(=O)c1ccccc1C(=O)c1cccs1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182860080 822380762 /nfs/dbraw/zinc/38/07/62/822380762.db2.gz KSEFJJJPBVZGLJ-IRXDYDNUSA-N 1 0 396.556 4.362 20 0 GIADRO C[C@H](NC(=O)N1CCC(COc2ccccc2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182861113 822380961 /nfs/dbraw/zinc/38/09/61/822380961.db2.gz UGNYHXRYJTVCHE-FPOVZHCZSA-N 1 0 399.579 4.140 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+][C@H](C)C(=O)N1CCCCC1 ZINC000178463183 822381551 /nfs/dbraw/zinc/38/15/51/822381551.db2.gz SPJXAMIMSIQULJ-UKRRQHHQSA-N 1 0 375.513 4.309 20 0 GIADRO Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+][C@@H](C)C(=O)N1CCCCC1 ZINC000178463654 822381638 /nfs/dbraw/zinc/38/16/38/822381638.db2.gz NVPOJRIKKMICLB-HIFRSBDPSA-N 1 0 375.513 4.309 20 0 GIADRO CC(=O)Nc1ccc(Cl)c(NC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000182866201 822381822 /nfs/dbraw/zinc/38/18/22/822381822.db2.gz SJQYHHUWOZBELX-HIFRSBDPSA-N 1 0 392.931 4.073 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)N1C[C@H](C)C[C@@H]1c1cccnc1 ZINC000182871657 822383395 /nfs/dbraw/zinc/38/33/95/822383395.db2.gz UIXDQXOXHGMHAA-XMSQKQJNSA-N 1 0 380.536 4.216 20 0 GIADRO CCOc1ccccc1NC(=O)C[NH2+][C@@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000182873640 822383757 /nfs/dbraw/zinc/38/37/57/822383757.db2.gz TVXGLWHGLWCDGZ-HNNXBMFYSA-N 1 0 396.466 4.008 20 0 GIADRO Cc1cccc(C(C)C)c1NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000182875880 822383929 /nfs/dbraw/zinc/38/39/29/822383929.db2.gz WBXDZPAYMPVJHL-NRFANRHFSA-N 1 0 395.547 4.397 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000178487041 822384286 /nfs/dbraw/zinc/38/42/86/822384286.db2.gz XYMSLLNOFDGNCT-UHFFFAOYSA-N 1 0 397.828 4.148 20 0 GIADRO COc1ccc(Cl)cc1CN(C)C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182878552 822384613 /nfs/dbraw/zinc/38/46/13/822384613.db2.gz OJSWIDCCVYTEFH-HOTGVXAUSA-N 1 0 393.959 4.143 20 0 GIADRO COc1ccc(Cl)cc1CN(C)C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182878417 822384713 /nfs/dbraw/zinc/38/47/13/822384713.db2.gz OJSWIDCCVYTEFH-HZPDHXFCSA-N 1 0 393.959 4.143 20 0 GIADRO Cc1c([C@@H](C)[NH2+][C@@H](C)CN2CCCC2=O)cnn1-c1ccc(Cl)cc1Cl ZINC000178491572 822384810 /nfs/dbraw/zinc/38/48/10/822384810.db2.gz HJGNBOPLDJWDHE-QWHCGFSZSA-N 1 0 395.334 4.149 20 0 GIADRO CC[C@@H](NC(=O)NC1CC[NH+](Cc2ccccn2)CC1)c1ccc(Cl)cc1 ZINC000045404816 822385088 /nfs/dbraw/zinc/38/50/88/822385088.db2.gz DNJXMPCCXCRWCU-HXUWFJFHSA-N 1 0 386.927 4.150 20 0 GIADRO CC(C)(C)[NH+]1CCC(NCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)CC1 ZINC000178500050 822385392 /nfs/dbraw/zinc/38/53/92/822385392.db2.gz LYKLTCHIKLEOKT-UHFFFAOYSA-N 1 0 383.511 4.431 20 0 GIADRO CCC[C@@H]([NH2+][C@H](C)c1sc(C)nc1C)C(=O)N1CCc2sccc2C1 ZINC000178503568 822385871 /nfs/dbraw/zinc/38/58/71/822385871.db2.gz VUDHRZCERMTFEA-CZUORRHYSA-N 1 0 377.579 4.226 20 0 GIADRO Cn1cc(-c2ccc(C[NH+]3CCC4(CC3)OCCc3ccccc34)s2)cn1 ZINC000453570572 822385891 /nfs/dbraw/zinc/38/58/91/822385891.db2.gz AXYAUFWPKLDFOW-UHFFFAOYSA-N 1 0 379.529 4.213 20 0 GIADRO CC(C)c1noc(CCC[NH2+][C@@H]2CCCOc3ccc(Br)cc32)n1 ZINC000178512925 822386780 /nfs/dbraw/zinc/38/67/80/822386780.db2.gz KECTYSIRERHGOY-OAHLLOKOSA-N 1 0 394.313 4.392 20 0 GIADRO COc1ccc(CCC(=O)N2CCC[N@H+](Cc3cc4ccccc4o3)CC2)cc1 ZINC000178525003 822387888 /nfs/dbraw/zinc/38/78/88/822387888.db2.gz GYHZMHMATSMKKQ-UHFFFAOYSA-N 1 0 392.499 4.109 20 0 GIADRO COc1ccc2cc([C@H](C)[NH2+]CCCc3nnc4n3CCCCC4)ccc2c1 ZINC000178528779 822388280 /nfs/dbraw/zinc/38/82/80/822388280.db2.gz BGEHQNQDWLKWSN-KRWDZBQOSA-N 1 0 378.520 4.450 20 0 GIADRO [NH3+]C[C@H]1CCN(C(=O)c2oc3ccccc3c2COc2ccccc2Cl)C1 ZINC000178530547 822388489 /nfs/dbraw/zinc/38/84/89/822388489.db2.gz RLUISBQCAOTVQN-CQSZACIVSA-N 1 0 384.863 4.086 20 0 GIADRO FC1(F)CC(CC[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000453591623 822389849 /nfs/dbraw/zinc/38/98/49/822389849.db2.gz RKAYDPXNNKLUEI-UHFFFAOYSA-N 1 0 376.241 4.135 20 0 GIADRO Cc1cc(C)n(-c2ccc(C[NH2+]Cc3sc(C)cc3Br)cn2)n1 ZINC000453591231 822389866 /nfs/dbraw/zinc/38/98/66/822389866.db2.gz PSBJOUWGSBEWSZ-UHFFFAOYSA-N 1 0 391.338 4.306 20 0 GIADRO C[C@H](NC(=O)N(C)Cc1ccc(C(F)(F)F)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182905249 822389941 /nfs/dbraw/zinc/38/99/41/822389941.db2.gz ANFUFUVNRQWARI-RDJZCZTQSA-N 1 0 397.485 4.500 20 0 GIADRO COc1ccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000178543170 822390091 /nfs/dbraw/zinc/39/00/91/822390091.db2.gz LLLNXJXRMNFSEO-SIKLNZKXSA-N 1 0 379.504 4.214 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000182907366 822390463 /nfs/dbraw/zinc/39/04/63/822390463.db2.gz VTWYMTMFZGMBSN-QGZVFWFLSA-N 1 0 376.504 4.395 20 0 GIADRO CC(C)Oc1cccc(CN(C)C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000182916901 822392280 /nfs/dbraw/zinc/39/22/80/822392280.db2.gz UWODIVLCIVKFFL-AZUAARDMSA-N 1 0 387.568 4.268 20 0 GIADRO C[C@H](NC(=O)Nc1ccccc1OCC(F)(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182918891 822392743 /nfs/dbraw/zinc/39/27/43/822392743.db2.gz IGGUFHIPZOWPQM-GJZGRUSLSA-N 1 0 399.457 4.402 20 0 GIADRO C[C@@H]1C[C@H](c2cccnc2)N(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000182920060 822392773 /nfs/dbraw/zinc/39/27/73/822392773.db2.gz NPUJTVLXIDKYNY-BVYCBKJFSA-N 1 0 378.520 4.011 20 0 GIADRO CCn1cc([C@H]2OCCC[C@@H]2[NH2+]Cc2sc(C)cc2Br)cn1 ZINC000453611859 822392790 /nfs/dbraw/zinc/39/27/90/822392790.db2.gz SCABPKMSEPDIIO-GOEBONIOSA-N 1 0 384.343 4.045 20 0 GIADRO CON1CCC([N@H+](C)Cc2cn(Cc3ccccc3)nc2-c2ccccc2)CC1 ZINC000453611154 822392875 /nfs/dbraw/zinc/39/28/75/822392875.db2.gz ZMDNMDPFVANKMA-UHFFFAOYSA-N 1 0 390.531 4.056 20 0 GIADRO CCN(CC)C(=O)c1cccc(NC(=O)C[NH2+][C@H](C)c2cc(C)cc(C)c2)c1 ZINC000182920188 822392979 /nfs/dbraw/zinc/39/29/79/822392979.db2.gz IOUFGTHDCYRCNC-GOSISDBHSA-N 1 0 381.520 4.075 20 0 GIADRO C[C@@H](NC(=O)N(C)CCOc1cccc(Cl)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182923063 822393462 /nfs/dbraw/zinc/39/34/62/822393462.db2.gz MOVXYUHVOXGNJS-IAGOWNOFSA-N 1 0 393.959 4.013 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCCc4ccccc43)c(C)c2)CC1 ZINC000045528442 822393612 /nfs/dbraw/zinc/39/36/12/822393612.db2.gz CLGBXJIXNXMSHL-JOCHJYFZSA-N 1 0 377.532 4.196 20 0 GIADRO COc1ccc(C[N@@H+](Cc2cnn(C)c2)CC(C)C)cc1OCc1cccnc1 ZINC000453616920 822393812 /nfs/dbraw/zinc/39/38/12/822393812.db2.gz HQDCDMMXBDGPJU-UHFFFAOYSA-N 1 0 394.519 4.061 20 0 GIADRO CC(=O)Nc1cccc(-n2c(SCC[C@@H]3CCCC[N@H+]3C)nnc2C2CC2)c1 ZINC000045537263 822394317 /nfs/dbraw/zinc/39/43/17/822394317.db2.gz GAZHPUZDFWMXEN-SFHVURJKSA-N 1 0 399.564 4.070 20 0 GIADRO O=C(Nc1c(F)cc(Cl)cc1F)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000182930114 822394857 /nfs/dbraw/zinc/39/48/57/822394857.db2.gz CHPYXHFUKLHFTK-UHFFFAOYSA-N 1 0 379.838 4.404 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)Nc2cc(OC)ccc2OC)CC1 ZINC000182929337 822394983 /nfs/dbraw/zinc/39/49/83/822394983.db2.gz ZZYJLWWAAYLEPU-UHFFFAOYSA-N 1 0 377.529 4.070 20 0 GIADRO C[C@@H]([NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)c1ccc(-n2cccn2)cc1 ZINC000178600097 822395329 /nfs/dbraw/zinc/39/53/29/822395329.db2.gz PPCIHAJZLWSUOV-IPJUCJBFSA-N 1 0 384.524 4.359 20 0 GIADRO O=C(Nc1cccc(C[NH2+][C@@H]2CCSc3c(F)cccc32)c1)[C@H]1CCCO1 ZINC000178614981 822396152 /nfs/dbraw/zinc/39/61/52/822396152.db2.gz XCAWUBYLURIGJS-RTBURBONSA-N 1 0 386.492 4.270 20 0 GIADRO COc1cccc([C@@H](O)C[N@H+](CCc2scnc2C)Cc2ccccc2)c1 ZINC000178620035 822396721 /nfs/dbraw/zinc/39/67/21/822396721.db2.gz CQFMEGSDLWIWOD-NRFANRHFSA-N 1 0 382.529 4.238 20 0 GIADRO C[C@@H](NC(=O)NC1(c2cccc(Cl)c2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182950045 822398468 /nfs/dbraw/zinc/39/84/68/822398468.db2.gz DIOQALTVRANOMY-HZPDHXFCSA-N 1 0 375.944 4.281 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)N1C[C@@H](C)C[C@@H]1c1cccnc1)c1ccsc1 ZINC000182950038 822398575 /nfs/dbraw/zinc/39/85/75/822398575.db2.gz DCKCAAUIPWILAB-PWIZWCRZSA-N 1 0 386.565 4.319 20 0 GIADRO COc1cc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)ccc1OC1CCCC1 ZINC000045611472 822399976 /nfs/dbraw/zinc/39/99/76/822399976.db2.gz FOFFEERYVDGISQ-KRWDZBQOSA-N 1 0 388.533 4.111 20 0 GIADRO C[C@H]([NH2+]C[C@H](CCO)c1ccccc1)c1ccc(I)cc1 ZINC000178654415 822400014 /nfs/dbraw/zinc/40/00/14/822400014.db2.gz BFCOFLYOPJWZLW-YOEHRIQHSA-N 1 0 395.284 4.108 20 0 GIADRO CCOC[C@@H](C)Nc1ccccc1C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000182968816 822401592 /nfs/dbraw/zinc/40/15/92/822401592.db2.gz VLGMRVJKGFVHAP-QGZVFWFLSA-N 1 0 384.520 4.099 20 0 GIADRO COc1cc2c(cc1OC)C[N@H+](Cc1ccccc1N[C@@H](C)[C@H]1CCOC1)CC2 ZINC000182968973 822401605 /nfs/dbraw/zinc/40/16/05/822401605.db2.gz JDHXOZZCGKKLIJ-PXNSSMCTSA-N 1 0 396.531 4.099 20 0 GIADRO Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc(OC(F)(F)F)cc3)CC2)nc(C)n1 ZINC000178695651 822403639 /nfs/dbraw/zinc/40/36/39/822403639.db2.gz WNOYRAZVFIEHQB-AWEZNQCLSA-N 1 0 394.441 4.312 20 0 GIADRO CCSCc1cccc(NC(=O)C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)c1 ZINC000453715969 822404003 /nfs/dbraw/zinc/40/40/03/822404003.db2.gz KZRXLFGYZMMPDB-HXUWFJFHSA-N 1 0 397.544 4.066 20 0 GIADRO Cc1ccc2[nH]c([C@H]3CCCN3C(=O)NC[C@H]3CCC[N@@H+](CC(C)C)C3)nc2c1 ZINC000178729818 822405883 /nfs/dbraw/zinc/40/58/83/822405883.db2.gz WGIRWIYWHBECFU-WIYYLYMNSA-N 1 0 397.567 4.086 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(-n2cncn2)cc1)c1cc(Cl)ccc1OC(F)F ZINC000178743312 822406666 /nfs/dbraw/zinc/40/66/66/822406666.db2.gz FKMTWXKHOCRERJ-GFCCVEGCSA-N 1 0 378.810 4.373 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@@H](C)C(=O)N(C)Cc2ccccc2)cnn1-c1ccc(F)cc1 ZINC000182993557 822407382 /nfs/dbraw/zinc/40/73/82/822407382.db2.gz GZAYPXODMDEPJH-IRXDYDNUSA-N 1 0 394.494 4.018 20 0 GIADRO Cc1nccn1CCCC[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000178784862 822409602 /nfs/dbraw/zinc/40/96/02/822409602.db2.gz LFZZVKHXRHAJRI-QGZVFWFLSA-N 1 0 378.314 4.238 20 0 GIADRO O=C(Nc1cc(Cl)ccc1Cl)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000045754446 822410535 /nfs/dbraw/zinc/41/05/35/822410535.db2.gz WENRKEAPGGIOMB-UHFFFAOYSA-N 1 0 379.291 4.175 20 0 GIADRO C[C@H](c1cc2ccccc2o1)N(C)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000045754922 822410625 /nfs/dbraw/zinc/41/06/25/822410625.db2.gz FQXIAKCGLWNHBU-QGZVFWFLSA-N 1 0 392.503 4.195 20 0 GIADRO C[C@@H](Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1)c1ccc(C(F)(F)F)cc1 ZINC000183013174 822411343 /nfs/dbraw/zinc/41/13/43/822411343.db2.gz IPRQXADYOITIOB-AUUYWEPGSA-N 1 0 391.437 4.328 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1ccc(N2CCC(C)=N2)cc1 ZINC000045768380 822411668 /nfs/dbraw/zinc/41/16/68/822411668.db2.gz SQBZSSOPRSHDFH-UHFFFAOYSA-N 1 0 394.519 4.246 20 0 GIADRO Cc1ccc(C(=O)CCC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1C ZINC000045776185 822412357 /nfs/dbraw/zinc/41/23/57/822412357.db2.gz DZEQYFPDSCGAGC-JOCHJYFZSA-N 1 0 378.516 4.220 20 0 GIADRO Cc1cc([C@H]2CCCN2C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)no1 ZINC000045777282 822412548 /nfs/dbraw/zinc/41/25/48/822412548.db2.gz SMQAPKAKLFPDKW-JOCHJYFZSA-N 1 0 396.535 4.262 20 0 GIADRO C[C@@H]([NH3+])C1CCN(C(=O)Cc2cccc(OCc3cccc(Cl)c3)c2)CC1 ZINC000178815890 822413162 /nfs/dbraw/zinc/41/31/62/822413162.db2.gz SUTSWCGQVLDNCF-MRXNPFEDSA-N 1 0 386.923 4.047 20 0 GIADRO Cc1cccc(C(C)C)c1NC(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000045782190 822413212 /nfs/dbraw/zinc/41/32/12/822413212.db2.gz VBCRMZVLAIITMS-UHFFFAOYSA-N 1 0 394.563 4.188 20 0 GIADRO COc1ccc(F)cc1[C@@H](C)NC(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000045789684 822413966 /nfs/dbraw/zinc/41/39/66/822413966.db2.gz YLBKGCPGCPJAFV-MRXNPFEDSA-N 1 0 387.499 4.235 20 0 GIADRO C[C@H]([NH3+])C1CCN(C(=O)c2ccc(Oc3cccc(Cl)c3Cl)nc2)CC1 ZINC000178826113 822414280 /nfs/dbraw/zinc/41/42/80/822414280.db2.gz YFVUQJNSOCPRAJ-LBPRGKRZSA-N 1 0 394.302 4.380 20 0 GIADRO Cc1cccc2nc(C[N@@H+](C)C3C[C@H]4CC[C@@H](C3)N4C(=O)OC(C)(C)C)cn21 ZINC000178826032 822414286 /nfs/dbraw/zinc/41/42/86/822414286.db2.gz YJPCLHMOOITRIE-DFNIBXOVSA-N 1 0 384.524 4.005 20 0 GIADRO CCN(Cc1cccc(Cl)c1)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000045794371 822414349 /nfs/dbraw/zinc/41/43/49/822414349.db2.gz MHHBTQVVCUVCKG-UHFFFAOYSA-N 1 0 389.927 4.012 20 0 GIADRO CCOc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000045812740 822415654 /nfs/dbraw/zinc/41/56/54/822415654.db2.gz KODGOJMMWYLUQX-HOTGVXAUSA-N 1 0 395.503 4.112 20 0 GIADRO C[C@H](c1cc2ccccc2o1)N(C)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000045813737 822415879 /nfs/dbraw/zinc/41/58/79/822415879.db2.gz YCTHPURTWIMXHX-QGZVFWFLSA-N 1 0 395.503 4.276 20 0 GIADRO O=C(N[C@@H]1CCSc2ccc(F)cc21)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000178851218 822416393 /nfs/dbraw/zinc/41/63/93/822416393.db2.gz BVFIDNUAEDOSQZ-ZMYBRWDISA-N 1 0 389.540 4.021 20 0 GIADRO C[C@@H]([NH3+])C1CCN(C(=O)[C@H](Sc2ccc(F)cc2F)c2ccccc2)CC1 ZINC000178852156 822416493 /nfs/dbraw/zinc/41/64/93/822416493.db2.gz HWRLVEXYKSHURX-JLTOFOAXSA-N 1 0 390.499 4.384 20 0 GIADRO Cc1nc2cc(F)ccc2cc1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000045851590 822418946 /nfs/dbraw/zinc/41/89/46/822418946.db2.gz OVFFYFZZZXPFNC-UHFFFAOYSA-N 1 0 377.463 4.208 20 0 GIADRO CNC(=O)C1CC[NH+]([C@H](C)c2ncc(-c3ccc(Cl)cc3Cl)o2)CC1 ZINC000178885313 822418999 /nfs/dbraw/zinc/41/89/99/822418999.db2.gz JQJDTVYXXLCBBN-LLVKDONJSA-N 1 0 382.291 4.167 20 0 GIADRO COc1cccc([C@H](CNC(=O)c2c[nH]cc2-c2ccccc2)[NH+]2CCCC2)c1 ZINC000045857708 822419373 /nfs/dbraw/zinc/41/93/73/822419373.db2.gz DLLWBJNREJRRFJ-QHCPKHFHSA-N 1 0 389.499 4.257 20 0 GIADRO CC[C@H](NC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccc(C)cc1 ZINC000178889503 822419375 /nfs/dbraw/zinc/41/93/75/822419375.db2.gz IYUWHVIDLXYNPG-AVRDEDQJSA-N 1 0 380.536 4.366 20 0 GIADRO CCOc1ccc([C@@H](C)NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1OCC ZINC000045859742 822419428 /nfs/dbraw/zinc/41/94/28/822419428.db2.gz KEKYSTIVWFYPQG-OAHLLOKOSA-N 1 0 391.556 4.153 20 0 GIADRO Cc1cc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c(C)n1CC(F)(F)F ZINC000045861206 822419609 /nfs/dbraw/zinc/41/96/09/822419609.db2.gz AZJQCMBOXCAPRV-QGZVFWFLSA-N 1 0 397.441 4.217 20 0 GIADRO Cc1cc(NC(=O)C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)cc(C)c1Cl ZINC000453944559 822419898 /nfs/dbraw/zinc/41/98/98/822419898.db2.gz KEHGYGQPGALTAF-GOSISDBHSA-N 1 0 385.895 4.083 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)CCSc2ccc(F)cc2)CC1 ZINC000045865276 822420004 /nfs/dbraw/zinc/42/00/04/822420004.db2.gz WRDOTXWAAHHUDD-UHFFFAOYSA-N 1 0 387.524 4.089 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)c1 ZINC000183076689 822421287 /nfs/dbraw/zinc/42/12/87/822421287.db2.gz QXVFFKSGHQIDFS-QGZVFWFLSA-N 1 0 381.520 4.022 20 0 GIADRO C[C@H](CCNC(=O)CCc1ncc(-c2ccccc2Cl)o1)[NH+]1CCCCC1 ZINC000183101637 822424465 /nfs/dbraw/zinc/42/44/65/822424465.db2.gz BRVMFEYGJDPNGL-MRXNPFEDSA-N 1 0 389.927 4.308 20 0 GIADRO CC[NH+](CC)Cc1cc([C@H](C)N[C@@H]2CCCn3nc(C(C)C)nc32)ccc1OC ZINC000183103035 822424702 /nfs/dbraw/zinc/42/47/02/822424702.db2.gz ZCBGWSQFPYVHLD-FXAWDEMLSA-N 1 0 399.583 4.438 20 0 GIADRO C[C@@H](NCc1csc(-c2ccc3c(c2)OCO3)n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183104240 822424881 /nfs/dbraw/zinc/42/48/81/822424881.db2.gz MPGQOOMIHNDULT-WBVHZDCISA-N 1 0 399.560 4.281 20 0 GIADRO C[NH2+]C[C@@H]1CCN(C(=O)CS[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000178965149 822424932 /nfs/dbraw/zinc/42/49/32/822424932.db2.gz GBDNVXYJNKPINI-KKSFZXQISA-N 1 0 388.964 4.231 20 0 GIADRO C/C(=C\C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1OC(F)F ZINC000178994585 822427547 /nfs/dbraw/zinc/42/75/47/822427547.db2.gz GYWNWBGEGOTJQS-JAHMBWEWSA-N 1 0 390.474 4.167 20 0 GIADRO COc1cc(OC)c(NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)cc1Cl ZINC000045975000 822428254 /nfs/dbraw/zinc/42/82/54/822428254.db2.gz OCCITAJTZUUSKJ-AWEZNQCLSA-N 1 0 383.920 4.133 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)Nc2nnc(C3CC3)s2)cc1 ZINC000045973633 822428221 /nfs/dbraw/zinc/42/82/21/822428221.db2.gz HGUSJMFYXJPJHQ-CQSZACIVSA-N 1 0 385.537 4.112 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Nc2ccc(OCC#N)cc2)C1 ZINC000045977205 822428747 /nfs/dbraw/zinc/42/87/47/822428747.db2.gz DAQMWJJCEIAITO-SFHVURJKSA-N 1 0 392.503 4.143 20 0 GIADRO CCc1cccc(CC)c1NC(=O)C[NH2+][C@H](C)c1ccccc1-n1cccn1 ZINC000183138562 822429524 /nfs/dbraw/zinc/42/95/24/822429524.db2.gz OEAJEMAYYHHPRZ-QGZVFWFLSA-N 1 0 376.504 4.286 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]CC(=O)N(Cc2ccccc2)C2CC2)cc1 ZINC000183140662 822429731 /nfs/dbraw/zinc/42/97/31/822429731.db2.gz SBBCZNZDLRBUGI-GOSISDBHSA-N 1 0 388.515 4.023 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(C)cc2Cl)cc1 ZINC000183148856 822431467 /nfs/dbraw/zinc/43/14/67/822431467.db2.gz XSEHTMOGNMAPDQ-HNNXBMFYSA-N 1 0 382.895 4.432 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)c2cnc3ccc(F)cc3c2)CC1 ZINC000179038498 822432304 /nfs/dbraw/zinc/43/23/04/822432304.db2.gz OSZJAQLXKYPENA-UHFFFAOYSA-N 1 0 377.463 4.111 20 0 GIADRO CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)Nc3cc(C)ccc3C)CC2)cc1 ZINC000454136500 822432314 /nfs/dbraw/zinc/43/23/14/822432314.db2.gz QVPOWAVYIOIDFB-UHFFFAOYSA-N 1 0 394.519 4.048 20 0 GIADRO C[C@H](NC(=O)C[NH2+][C@@H](C)c1ccccc1-n1cccn1)c1ccc(Cl)cc1 ZINC000183156455 822432787 /nfs/dbraw/zinc/43/27/87/822432787.db2.gz HXRLOVBDIRXAAZ-HOTGVXAUSA-N 1 0 382.895 4.054 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000454143510 822433096 /nfs/dbraw/zinc/43/30/96/822433096.db2.gz STJICZUJFDYFJL-NRFANRHFSA-N 1 0 379.504 4.181 20 0 GIADRO C[S@](=O)C[C@H]([NH2+]CCCc1ccccc1Br)c1ccccc1 ZINC000183165996 822434384 /nfs/dbraw/zinc/43/43/84/822434384.db2.gz ULJBPKNVEDRTAX-AVRDEDQJSA-N 1 0 380.351 4.091 20 0 GIADRO CN(C(=O)c1oc2ccccc2c1COc1ccccc1Cl)[C@H]1CC[NH2+]C1 ZINC000179061429 822434534 /nfs/dbraw/zinc/43/45/34/822434534.db2.gz HWRCTKAVZQHORJ-AWEZNQCLSA-N 1 0 384.863 4.099 20 0 GIADRO C[C@@H](NC(=O)C[NH2+][C@H](C)c1ccccc1-n1cccn1)c1ccccc1Cl ZINC000183171949 822435270 /nfs/dbraw/zinc/43/52/70/822435270.db2.gz ZLYSRDWDHPWJKT-HZPDHXFCSA-N 1 0 382.895 4.054 20 0 GIADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2nc3cc(Cl)ccc3s2)C1 ZINC000454170766 822435350 /nfs/dbraw/zinc/43/53/50/822435350.db2.gz YFFIRTNNSNPWNA-GUTXKFCHSA-N 1 0 377.941 4.427 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)N1CC2(CCOCC2)[C@@H]2CCC[C@@H]21)c1ccccc1 ZINC000454191094 822437186 /nfs/dbraw/zinc/43/71/86/822437186.db2.gz JTJLOTADSURHCG-BHIFYINESA-N 1 0 399.579 4.060 20 0 GIADRO COCc1ccccc1NC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000046033151 822437400 /nfs/dbraw/zinc/43/74/00/822437400.db2.gz XFTHEEJBVQHYNE-JOCHJYFZSA-N 1 0 397.519 4.190 20 0 GIADRO CC(C)C[NH+]1CCC(NC(=O)c2ccc(C3SCCCS3)cc2)CC1 ZINC000046049550 822438262 /nfs/dbraw/zinc/43/82/62/822438262.db2.gz BRUMDVRYDCYEAY-UHFFFAOYSA-N 1 0 378.607 4.406 20 0 GIADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)C2)C1 ZINC000454220512 822440415 /nfs/dbraw/zinc/44/04/15/822440415.db2.gz XWJADUQYQJRGCM-MRXNPFEDSA-N 1 0 375.822 4.308 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1)c1ccc(Cl)nc1 ZINC000179126078 822441074 /nfs/dbraw/zinc/44/10/74/822441074.db2.gz VLEKVHCJLYPDAO-HNNXBMFYSA-N 1 0 395.894 4.303 20 0 GIADRO CC[NH+](CC)CCOc1ccc(CNC(=O)N(C)Cc2sccc2C)cc1 ZINC000046104938 822441234 /nfs/dbraw/zinc/44/12/34/822441234.db2.gz MMULULGDGWVGDN-UHFFFAOYSA-N 1 0 389.565 4.119 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)N1CCC[C@H]1c1ccc(F)cc1F)c1ccsc1 ZINC000454237856 822442263 /nfs/dbraw/zinc/44/22/63/822442263.db2.gz LODUMUIPFRLMSF-ROUUACIJSA-N 1 0 379.476 4.176 20 0 GIADRO CCc1ccc(Cl)c(CC)c1NC(=O)CCC[N@@H+]1CCC[C@H]1CC(=O)OC ZINC000179144687 822443202 /nfs/dbraw/zinc/44/32/02/822443202.db2.gz QAVIVJJNQFXYIS-INIZCTEOSA-N 1 0 394.943 4.211 20 0 GIADRO COc1cccc([C@H](CNC(=O)c2ccccc2SC(F)(F)F)[NH+](C)C)c1 ZINC000046147208 822444258 /nfs/dbraw/zinc/44/42/58/822444258.db2.gz XALHPAFSRXICJA-INIZCTEOSA-N 1 0 398.450 4.340 20 0 GIADRO CC(=O)Nc1cc(C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)ccc1C ZINC000046156336 822445509 /nfs/dbraw/zinc/44/55/09/822445509.db2.gz MVSQCYYDIYSHRU-MRXNPFEDSA-N 1 0 379.504 4.438 20 0 GIADRO Cc1c(C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cnn1-c1ccccn1 ZINC000046156330 822445604 /nfs/dbraw/zinc/44/56/04/822445604.db2.gz HWSCMXMTWCNTBN-KRWDZBQOSA-N 1 0 389.503 4.060 20 0 GIADRO C[C@@H]1CN(C(=O)Nc2ccccc2N2CCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000454262788 822445613 /nfs/dbraw/zinc/44/56/13/822445613.db2.gz JHYPXAMXLJNPTF-FQEVSTJZSA-N 1 0 392.547 4.273 20 0 GIADRO COC[C@@H]([NH2+]CCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(F)c(F)c1 ZINC000183235057 822445742 /nfs/dbraw/zinc/44/57/42/822445742.db2.gz UPOYEJZMOGEXGG-QGZVFWFLSA-N 1 0 393.821 4.188 20 0 GIADRO C[C@@H]1CN(C(=O)Nc2ccc(Br)cc2Cl)CC[N@@H+](C2CC2)C1 ZINC000454264892 822446075 /nfs/dbraw/zinc/44/60/75/822446075.db2.gz HKVGIIYNCBIGBA-NSHDSACASA-N 1 0 386.721 4.051 20 0 GIADRO O=C(OC[C@H]1CCC[N@@H+](Cc2cc(F)ccc2F)C1)c1cccc(Cl)n1 ZINC000183236870 822446157 /nfs/dbraw/zinc/44/61/57/822446157.db2.gz BCFDPWHYFOAOOR-ZDUSSCGKSA-N 1 0 380.822 4.082 20 0 GIADRO CC(C)C(=O)Nc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000046173937 822446911 /nfs/dbraw/zinc/44/69/11/822446911.db2.gz SVOSFGNRXVKAQN-UHFFFAOYSA-N 1 0 393.531 4.197 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1cccc(CO)c1)c1cc2c(cc1Br)OCCO2 ZINC000183241194 822446961 /nfs/dbraw/zinc/44/69/61/822446961.db2.gz LWHBLSITDDOJCX-QWHCGFSZSA-N 1 0 392.293 4.124 20 0 GIADRO CC1CC[NH+](C2CCC(NC(=O)N3CC=C(c4ccc(O)cc4)CC3)CC2)CC1 ZINC000179178572 822447644 /nfs/dbraw/zinc/44/76/44/822447644.db2.gz ZFQNEDNIYBBAAJ-UHFFFAOYSA-N 1 0 397.563 4.234 20 0 GIADRO Cn1ccnc1[C@H]([NH2+]C[C@H](c1ccccc1)N1CCc2sccc2C1)C1CC1 ZINC000183248356 822448206 /nfs/dbraw/zinc/44/82/06/822448206.db2.gz ARFDTPXXZQOQLE-IFMALSPDSA-N 1 0 392.572 4.322 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CCCC1)c1ncc(Br)s1 ZINC000179189063 822448877 /nfs/dbraw/zinc/44/88/77/822448877.db2.gz JYMSGAZJARQENX-NEPJUHHUSA-N 1 0 386.384 4.455 20 0 GIADRO O=C(c1ccccc1)N1CCC([NH2+][C@@H]2CCc3c2cccc3Br)CC1 ZINC000179203425 822450260 /nfs/dbraw/zinc/45/02/60/822450260.db2.gz PVHGPRBCYHYQDE-HXUWFJFHSA-N 1 0 399.332 4.331 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)N[C@@H](CCO)c2cccc(C(F)(F)F)c2)c1 ZINC000454286076 822451447 /nfs/dbraw/zinc/45/14/47/822451447.db2.gz IFZUEACDPBMBGO-SFHVURJKSA-N 1 0 395.425 4.012 20 0 GIADRO CC(C)Oc1ccc(CC[C@@H](C)NC(=O)NC2CC[NH+](C3CCC3)CC2)cc1 ZINC000454287880 822451690 /nfs/dbraw/zinc/45/16/90/822451690.db2.gz PBNDLXIKYIVIRF-GOSISDBHSA-N 1 0 387.568 4.111 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)N(C)Cc2c(F)cccc2F)c1 ZINC000454291293 822452516 /nfs/dbraw/zinc/45/25/16/822452516.db2.gz FKLHOYYBJFRPEP-UHFFFAOYSA-N 1 0 375.463 4.148 20 0 GIADRO COc1ccc(C2(C[NH2+][C@H](c3nccn3C)C3CC3)CCCCC2)cc1OC ZINC000183279011 822452825 /nfs/dbraw/zinc/45/28/25/822452825.db2.gz YPCARLARJRUMPZ-NRFANRHFSA-N 1 0 383.536 4.380 20 0 GIADRO COc1ccccc1N1CC[C@H](C[NH2+][C@@H](C)c2ncc(Br)s2)C1 ZINC000179221086 822453330 /nfs/dbraw/zinc/45/33/30/822453330.db2.gz GZWNWWHSNNOKKK-QWHCGFSZSA-N 1 0 396.354 4.091 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@H](C(F)(F)F)C[C@@H]2C)c1 ZINC000454297126 822453641 /nfs/dbraw/zinc/45/36/41/822453641.db2.gz NJIXPQHJOZHPOX-YJBOKZPZSA-N 1 0 385.474 4.401 20 0 GIADRO Fc1ccc([C@H]([NH2+]C[C@H](c2cccs2)N2CCOCC2)c2ccccc2)nc1 ZINC000183291703 822453940 /nfs/dbraw/zinc/45/39/40/822453940.db2.gz XGMXGHLDMNZXAX-IFMALSPDSA-N 1 0 397.519 4.035 20 0 GIADRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)NCc1coc(-c2cccs2)n1 ZINC000179229819 822454191 /nfs/dbraw/zinc/45/41/91/822454191.db2.gz QDAVBGBXBXPSKQ-UHFFFAOYSA-N 1 0 398.532 4.113 20 0 GIADRO C[C@@H]([NH2+]C[C@@H]1CCCN1Cc1ccccc1)c1ncc(Br)s1 ZINC000179230704 822454280 /nfs/dbraw/zinc/45/42/80/822454280.db2.gz PXFWEZJRFUAWDU-HIFRSBDPSA-N 1 0 380.355 4.221 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N(C)Cc1c(F)cccc1F ZINC000454303863 822454952 /nfs/dbraw/zinc/45/49/52/822454952.db2.gz FFPYPWJAQNNZAH-UHFFFAOYSA-N 1 0 375.463 4.147 20 0 GIADRO C[C@H]([NH2+]CCc1nc(C(F)(F)F)cs1)c1ncc(Br)s1 ZINC000179235661 822455339 /nfs/dbraw/zinc/45/53/39/822455339.db2.gz MWMCFWNYVJSFPN-LURJTMIESA-N 1 0 386.262 4.274 20 0 GIADRO CO[C@@H]1CCN(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)CC1(C)C ZINC000454306084 822455348 /nfs/dbraw/zinc/45/53/48/822455348.db2.gz HIQWQTLRPOHKNA-GHTZIAJQSA-N 1 0 387.568 4.018 20 0 GIADRO C[C@@H]([NH2+]CCc1nc(C(F)(F)F)cs1)c1ncc(Br)s1 ZINC000179235672 822455393 /nfs/dbraw/zinc/45/53/93/822455393.db2.gz MWMCFWNYVJSFPN-ZCFIWIBFSA-N 1 0 386.262 4.274 20 0 GIADRO Cc1cc(C)c(CNC(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)cn1 ZINC000454311238 822456298 /nfs/dbraw/zinc/45/62/98/822456298.db2.gz KWTVELBNIMEIKV-LJQANCHMSA-N 1 0 380.536 4.072 20 0 GIADRO C[C@H](Cc1ccc(Br)cc1)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000179245443 822456704 /nfs/dbraw/zinc/45/67/04/822456704.db2.gz MWBSGXLSEOGFRI-MRXNPFEDSA-N 1 0 393.369 4.105 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N[C@@H]2CCO[C@H](c3cccs3)C2)C1 ZINC000454315648 822457193 /nfs/dbraw/zinc/45/71/93/822457193.db2.gz GXMUSQPMEWAWNY-HCXYKTFWSA-N 1 0 393.597 4.026 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CC[C@@H](C(F)(F)F)C[C@H]1C ZINC000454324043 822457998 /nfs/dbraw/zinc/45/79/98/822457998.db2.gz VJJYGQVSBWWVNN-CRAIPNDOSA-N 1 0 385.474 4.399 20 0 GIADRO C[C@@H](C[NH2+][C@@H](c1nccn1C)C1CC1)Sc1ccc(Br)cc1 ZINC000183322179 822459000 /nfs/dbraw/zinc/45/90/00/822459000.db2.gz WBINSVABHZGYSX-BLLLJJGKSA-N 1 0 380.355 4.404 20 0 GIADRO CS[C@@H](C)CC(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000179268805 822459383 /nfs/dbraw/zinc/45/93/83/822459383.db2.gz ZIRMWZKBTRVKBU-AWEZNQCLSA-N 1 0 388.499 4.270 20 0 GIADRO CCc1nc(C)c([C@H](C)N(C)C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)s1 ZINC000179275309 822460093 /nfs/dbraw/zinc/46/00/93/822460093.db2.gz PDLQWGORSKFDAG-KVSKMBFKSA-N 1 0 386.565 4.162 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)N[C@](C)(CO)c2cc(Cl)cc(Cl)c2)c1 ZINC000454344639 822460221 /nfs/dbraw/zinc/46/02/21/822460221.db2.gz OWRFKJBHAGISST-LJQANCHMSA-N 1 0 396.318 4.084 20 0 GIADRO Cc1nc(CSc2ccccc2C(=O)NC2CC[NH+](C(C)C)CC2)cs1 ZINC000046319672 822461145 /nfs/dbraw/zinc/46/11/45/822461145.db2.gz FACGYLUYCKIYOQ-UHFFFAOYSA-N 1 0 389.590 4.346 20 0 GIADRO Cc1cc(CNC(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)ccn1 ZINC000454355869 822461277 /nfs/dbraw/zinc/46/12/77/822461277.db2.gz AUBDIXPHEFLXLE-UHFFFAOYSA-N 1 0 380.536 4.154 20 0 GIADRO CN(C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1)c1ccc2c(c1)OCO2 ZINC000179299370 822462616 /nfs/dbraw/zinc/46/26/16/822462616.db2.gz CSJIDKWWPHBWPB-UHFFFAOYSA-N 1 0 388.467 4.324 20 0 GIADRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000454368280 822463483 /nfs/dbraw/zinc/46/34/83/822463483.db2.gz FXEABWIDNLSMLQ-QFIPXVFZSA-N 1 0 393.531 4.428 20 0 GIADRO COc1ccc(COC[C@@H](O)C[N@@H+]2CCC[C@@H]2c2nc3ccccc3s2)cc1 ZINC000046344450 822463923 /nfs/dbraw/zinc/46/39/23/822463923.db2.gz RNOAEEJULAHRRK-FXAWDEMLSA-N 1 0 398.528 4.020 20 0 GIADRO COc1ccccc1COC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000046344454 822464091 /nfs/dbraw/zinc/46/40/91/822464091.db2.gz NWBRRMDLLFPGQX-PKOBYXMFSA-N 1 0 398.528 4.020 20 0 GIADRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C[C@@H](c2cccs2)N2CCCC2)CC1 ZINC000183372107 822465254 /nfs/dbraw/zinc/46/52/54/822465254.db2.gz CSBBBMRSDIZXIJ-MSOLQXFVSA-N 1 0 393.597 4.264 20 0 GIADRO C[C@@H](C[C@H](O)c1ccco1)NC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000179324276 822466140 /nfs/dbraw/zinc/46/61/40/822466140.db2.gz BLSSKKNWAAIUTH-AVRDEDQJSA-N 1 0 392.499 4.154 20 0 GIADRO CCC(CC)n1nc(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)cc1C ZINC000183405557 822469150 /nfs/dbraw/zinc/46/91/50/822469150.db2.gz NDNIEZVSVOJHIA-UHFFFAOYSA-N 1 0 386.565 4.354 20 0 GIADRO C[NH+](C)Cc1ccc(C(=O)N(CCCO)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000179351736 822469805 /nfs/dbraw/zinc/46/98/05/822469805.db2.gz CWAZBEOWAXHNRV-UHFFFAOYSA-N 1 0 395.330 4.080 20 0 GIADRO C[N@@H+]1CCCN(c2ccc(NC(=O)c3cc4cc(Cl)ccc4o3)cc2)CC1 ZINC000046403981 822470329 /nfs/dbraw/zinc/47/03/29/822470329.db2.gz KWMHVVFDJWNKRO-UHFFFAOYSA-N 1 0 383.879 4.480 20 0 GIADRO C[N@@H+]1CCCN(c2ccc(NC(=O)Cc3ccc(C(F)(F)F)cc3)cc2)CC1 ZINC000046404023 822470364 /nfs/dbraw/zinc/47/03/64/822470364.db2.gz YGJZALHMJOVCFY-UHFFFAOYSA-N 1 0 391.437 4.029 20 0 GIADRO CCOc1ccc(C(=O)N2CCC([NH2+]Cc3ncc(C(C)C)s3)CC2)cc1 ZINC000183411717 822470510 /nfs/dbraw/zinc/47/05/10/822470510.db2.gz JPTFMPMAHRIPCO-UHFFFAOYSA-N 1 0 387.549 4.060 20 0 GIADRO Cc1ccccc1CCN(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000454413308 822471646 /nfs/dbraw/zinc/47/16/46/822471646.db2.gz LXKYBHBQNHBOFI-IBGZPJMESA-N 1 0 385.577 4.153 20 0 GIADRO CCO[C@@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C[C@H]1C ZINC000454415478 822471961 /nfs/dbraw/zinc/47/19/61/822471961.db2.gz ZPHHPKNBBBDLLK-DENIHFKCSA-N 1 0 387.568 4.019 20 0 GIADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)C1 ZINC000046426634 822472250 /nfs/dbraw/zinc/47/22/50/822472250.db2.gz FOONEYCHDRFOQD-QRVBRYPASA-N 1 0 398.551 4.085 20 0 GIADRO COc1ccc(CN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c2cc(C)sc2C)cc1OC ZINC000179369252 822472362 /nfs/dbraw/zinc/47/23/62/822472362.db2.gz AZZWLZGJELWIQY-LSDHHAIUSA-N 1 0 390.549 4.080 20 0 GIADRO COc1ccc(CN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c2cc(C)sc2C)cc1OC ZINC000179369231 822472498 /nfs/dbraw/zinc/47/24/98/822472498.db2.gz AZZWLZGJELWIQY-GJZGRUSLSA-N 1 0 390.549 4.080 20 0 GIADRO O=C(Nc1ccc(N2CCCCCCC2)c(F)c1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000183425084 822473014 /nfs/dbraw/zinc/47/30/14/822473014.db2.gz LPRNKAPMSCXFFI-LJQANCHMSA-N 1 0 386.515 4.074 20 0 GIADRO Cc1c([C@@H](C)[NH2+]CC(=O)Nc2ccccc2Oc2ccc(C)cc2)cnn1C ZINC000183437974 822474907 /nfs/dbraw/zinc/47/49/07/822474907.db2.gz GJBRYAPXXIGSNV-MRXNPFEDSA-N 1 0 378.476 4.119 20 0 GIADRO C[N@@H+]1CCCN(c2ccc(NC(=O)c3cc(F)c(Cl)cc3F)cc2)CC1 ZINC000179387658 822475240 /nfs/dbraw/zinc/47/52/40/822475240.db2.gz YPFQEBBEGBJXQR-UHFFFAOYSA-N 1 0 379.838 4.012 20 0 GIADRO CCc1nc(NC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)sc1C ZINC000179394972 822476573 /nfs/dbraw/zinc/47/65/73/822476573.db2.gz VSFWRJIDWBTAGT-UHFFFAOYSA-N 1 0 387.553 4.179 20 0 GIADRO O=C(N[C@@H](c1ccc(Cl)cc1)C1CCC1)NC1CC[NH+](C2CCC2)CC1 ZINC000454443477 822476783 /nfs/dbraw/zinc/47/67/83/822476783.db2.gz RRPPALLTIGQGFZ-HXUWFJFHSA-N 1 0 375.944 4.497 20 0 GIADRO CC[C@@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1cc(C)ccc1OC ZINC000179404494 822478004 /nfs/dbraw/zinc/47/80/04/822478004.db2.gz BURQVYRUUTYFBX-OXQOHEQNSA-N 1 0 390.549 4.056 20 0 GIADRO Cc1cc2ncc([C@@H](C)[NH2+]CCCc3cn(-c4ccccc4)nc3C)c(C)n2n1 ZINC000179411816 822478860 /nfs/dbraw/zinc/47/88/60/822478860.db2.gz GVXYGWVNQGVSQB-GOSISDBHSA-N 1 0 388.519 4.124 20 0 GIADRO Cc1cc2ncc([C@H](C)[NH2+]C[C@@H]3CCN(c4cc(Cl)ccc4C)C3)c(C)n2n1 ZINC000179420919 822479916 /nfs/dbraw/zinc/47/99/16/822479916.db2.gz KLWJCOOZUYFIRB-WMZOPIPTSA-N 1 0 397.954 4.485 20 0 GIADRO Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]Cc1ccccc1CS(=O)(=O)NC(C)C ZINC000179420143 822479931 /nfs/dbraw/zinc/47/99/31/822479931.db2.gz UZHZLZFBYPISPU-DYESRHJHSA-N 1 0 386.561 4.161 20 0 GIADRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)[C@@H]2C[C@H]2c2cccnc2)cc1 ZINC000454466179 822479999 /nfs/dbraw/zinc/47/99/99/822479999.db2.gz PKMZPZIPZSKIQQ-BJKOFHAPSA-N 1 0 385.511 4.230 20 0 GIADRO CCC[C@H]1C[C@H](C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CCO1 ZINC000183472352 822480419 /nfs/dbraw/zinc/48/04/19/822480419.db2.gz XHFCNOOFNBOKTJ-XLIONFOSSA-N 1 0 378.944 4.016 20 0 GIADRO C[NH+](C)CCOc1cccc(NC(=O)N2CCc3c(Cl)cc(F)cc3C2)c1 ZINC000454477952 822481330 /nfs/dbraw/zinc/48/13/30/822481330.db2.gz ITXKVDJAOTUNJV-UHFFFAOYSA-N 1 0 391.874 4.010 20 0 GIADRO Cc1cc2ncc([C@H](C)[NH2+]C[C@H]3CCCN(C)[C@@H]3c3cccs3)c(C)n2n1 ZINC000179435167 822482207 /nfs/dbraw/zinc/48/22/07/822482207.db2.gz FRFDIMGGWSMLTN-XPIZARPCSA-N 1 0 383.565 4.141 20 0 GIADRO O=C(Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CCC(F)(F)CC1 ZINC000179438170 822482941 /nfs/dbraw/zinc/48/29/41/822482941.db2.gz AXIUDWOAIPCLAS-SFHVURJKSA-N 1 0 388.462 4.094 20 0 GIADRO Cc1ccc(NC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1OC(F)F ZINC000183483630 822483236 /nfs/dbraw/zinc/48/32/36/822483236.db2.gz QDGIWSRDOIHOMZ-HUUCEWRRSA-N 1 0 381.467 4.371 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](c3cc(C)cc(C)c3)C2)c1 ZINC000183485089 822483544 /nfs/dbraw/zinc/48/35/44/822483544.db2.gz UYVQORIGRYPYEP-HKUYNNGSSA-N 1 0 379.504 4.078 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccc(CSC(F)F)o2)C1)C(=O)OC(C)(C)C ZINC000179450739 822484949 /nfs/dbraw/zinc/48/49/49/822484949.db2.gz SMGSHVJJZFPUOJ-CYBMUJFWSA-N 1 0 390.496 4.424 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2cccc(-c3cccnc3)c2)C1)C(=O)OC(C)(C)C ZINC000179449826 822484976 /nfs/dbraw/zinc/48/49/76/822484976.db2.gz KMWLOALQDLXQCN-IBGZPJMESA-N 1 0 381.520 4.437 20 0 GIADRO Cc1c([C@H](C)[NH2+]CCc2coc(-c3ccc(F)cc3)n2)cnn1-c1ccccn1 ZINC000179453615 822485172 /nfs/dbraw/zinc/48/51/72/822485172.db2.gz XFICSNOUZGOZAG-HNNXBMFYSA-N 1 0 391.450 4.263 20 0 GIADRO Cc1nccn1CCCC[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000179453319 822485178 /nfs/dbraw/zinc/48/51/78/822485178.db2.gz NXIMMXNPJRRCIC-UHFFFAOYSA-N 1 0 392.341 4.030 20 0 GIADRO CC(=O)Nc1cc(NC(=O)N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)ccc1C ZINC000454501190 822485809 /nfs/dbraw/zinc/48/58/09/822485809.db2.gz XATVKUZKCKLDHM-UHFFFAOYSA-N 1 0 388.556 4.318 20 0 GIADRO COc1cc(F)c([C@H](C)[NH2+]Cc2ccc(C(=O)OC(C)C)cc2)cc1OC ZINC000183499458 822486554 /nfs/dbraw/zinc/48/65/54/822486554.db2.gz OPYPKGIKXWSLCA-AWEZNQCLSA-N 1 0 375.440 4.259 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cnc3ccc(F)cc3c2)CC1 ZINC000179465394 822486589 /nfs/dbraw/zinc/48/65/89/822486589.db2.gz DCGDKZQUNPOTQL-MRXNPFEDSA-N 1 0 377.463 4.329 20 0 GIADRO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)[NH2+][C@@H](C)c1nccs1 ZINC000183500392 822486747 /nfs/dbraw/zinc/48/67/47/822486747.db2.gz RSCQAVHCJFAECO-PWSUYJOCSA-N 1 0 395.550 4.066 20 0 GIADRO C[C@@H](NC(=O)Nc1ccc2nc(C3CC3)oc2c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183511776 822488116 /nfs/dbraw/zinc/48/81/16/822488116.db2.gz MEHIJXVRISJPPB-ZBFHGGJFSA-N 1 0 382.508 4.480 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]C[C@H](C)c2nc(-c3ccccc3)no2)cc1NC(C)=O ZINC000179478644 822488586 /nfs/dbraw/zinc/48/85/86/822488586.db2.gz AEVABOLTXWXPGK-LSDHHAIUSA-N 1 0 394.475 4.158 20 0 GIADRO COc1cc([C@H](C)[NH2+]C[C@@H](C)c2nc(-c3ccccc3)no2)cc(OC)c1OC ZINC000179479349 822488734 /nfs/dbraw/zinc/48/87/34/822488734.db2.gz MZIZWYIBAAJWNW-CABCVRRESA-N 1 0 397.475 4.217 20 0 GIADRO CC(C)[C@@H](NC(=O)N1CCC(CCC[NH+](C)C)CC1)c1nc2ccccc2[nH]1 ZINC000179483158 822489295 /nfs/dbraw/zinc/48/92/95/822489295.db2.gz IDURXZRATJCXJH-HXUWFJFHSA-N 1 0 385.556 4.023 20 0 GIADRO C[C@@H](NC(=O)N1CCC(CCC[NH+](C)C)CC1)c1ccc(Br)cc1 ZINC000179484651 822489544 /nfs/dbraw/zinc/48/95/44/822489544.db2.gz LZTAGUNHPWYEMJ-OAHLLOKOSA-N 1 0 396.373 4.274 20 0 GIADRO FC(F)(F)COc1ccccc1C[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179494730 822490762 /nfs/dbraw/zinc/49/07/62/822490762.db2.gz JDOIPRDUAKNSRH-HNNXBMFYSA-N 1 0 380.414 4.003 20 0 GIADRO CC(C)[C@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(F)c(F)c1 ZINC000179497277 822491231 /nfs/dbraw/zinc/49/12/31/822491231.db2.gz DEYWEQNLWHEEIU-VLIAUNLRSA-N 1 0 396.503 4.263 20 0 GIADRO CC(C)(C)Oc1c(F)cc(NC(=O)NC2CC[NH+](CC3CC3)CC2)cc1F ZINC000183533524 822491223 /nfs/dbraw/zinc/49/12/23/822491223.db2.gz HHGISAFLSMHQLV-UHFFFAOYSA-N 1 0 381.467 4.138 20 0 GIADRO C[C@H](NC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)c1cccc(OC(F)F)c1 ZINC000046609383 822491738 /nfs/dbraw/zinc/49/17/38/822491738.db2.gz UULWRZFVELHMGE-CVEARBPZSA-N 1 0 383.483 4.160 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2F)C1)c1ccc(N2CCOC2=O)cc1 ZINC000179499777 822491868 /nfs/dbraw/zinc/49/18/68/822491868.db2.gz RNJOKJKMDASLAA-FUHWJXTLSA-N 1 0 383.467 4.102 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1ccc(-n2cccn2)cc1 ZINC000183538949 822491943 /nfs/dbraw/zinc/49/19/43/822491943.db2.gz PZQUGDIDQLVCDQ-MJGOQNOKSA-N 1 0 384.524 4.313 20 0 GIADRO C[C@H]([NH2+][C@H]1CCCN(c2ccccc2F)C1)c1ncc(Br)s1 ZINC000179500402 822492084 /nfs/dbraw/zinc/49/20/84/822492084.db2.gz UAOGNYPHLLDJCY-RYUDHWBXSA-N 1 0 384.318 4.364 20 0 GIADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)Nc3cccc(OCc4cccc(F)c4)c3)C2)C1 ZINC000454530771 822492242 /nfs/dbraw/zinc/49/22/42/822492242.db2.gz SEWMFYCPXDAUNI-QHCPKHFHSA-N 1 0 397.494 4.354 20 0 GIADRO Cc1cc(C)c(NC(=O)CCC[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c(C)c1 ZINC000179501197 822492308 /nfs/dbraw/zinc/49/23/08/822492308.db2.gz LOPSEIQWDOKERN-IBGZPJMESA-N 1 0 395.551 4.206 20 0 GIADRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccccc1)c1ccc(OC(F)F)cc1 ZINC000046613279 822492540 /nfs/dbraw/zinc/49/25/40/822492540.db2.gz OIDSVZLFDMCLFR-MRXNPFEDSA-N 1 0 391.462 4.122 20 0 GIADRO COc1cc(C(C)=O)ccc1OC[C@H](O)C[NH2+][C@@H](C)c1oc2ccccc2c1C ZINC000183543847 822492611 /nfs/dbraw/zinc/49/26/11/822492611.db2.gz DWVWSPAQYLJLRB-MAUKXSAKSA-N 1 0 397.471 4.043 20 0 GIADRO C[NH+](C)CCCOc1ccc(CN[C@@H](c2ccccc2)c2ccc(F)cn2)cc1 ZINC000183550416 822493570 /nfs/dbraw/zinc/49/35/70/822493570.db2.gz GYBBIYSJIZROJY-DEOSSOPVSA-N 1 0 393.506 4.430 20 0 GIADRO COc1cc(NC(=O)C[NH2+][C@@H](C)c2oc3ccccc3c2C)cc(OC)c1OC ZINC000183551914 822493646 /nfs/dbraw/zinc/49/36/46/822493646.db2.gz GVICPSDXSWFGLX-AWEZNQCLSA-N 1 0 398.459 4.056 20 0 GIADRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)c3cc4ccccc4s3)cc2)C[C@H](C)O1 ZINC000046623074 822494504 /nfs/dbraw/zinc/49/45/04/822494504.db2.gz DYWMZJHFXXEGTB-IRXDYDNUSA-N 1 0 394.540 4.441 20 0 GIADRO CCOc1ccc(Cl)cc1[C@@H](C)[NH2+][C@@H](C)Cn1ncc2ccccc2c1=O ZINC000179516827 822495049 /nfs/dbraw/zinc/49/50/49/822495049.db2.gz MOSHDJYHCKAQPL-LSDHHAIUSA-N 1 0 385.895 4.188 20 0 GIADRO COc1cc(OC)c(CC[NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)c(OC)c1 ZINC000183566349 822495552 /nfs/dbraw/zinc/49/55/52/822495552.db2.gz NKWQOAUURNIIML-QHCPKHFHSA-N 1 0 396.462 4.168 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)Cn1ncc2ccccc2c1=O)c1cccc(Cl)c1Cl ZINC000179517570 822495603 /nfs/dbraw/zinc/49/56/03/822495603.db2.gz JHOWCGZKBHFPPX-QWHCGFSZSA-N 1 0 376.287 4.443 20 0 GIADRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CC1(c2ccccc2Cl)CC1 ZINC000179519059 822495823 /nfs/dbraw/zinc/49/58/23/822495823.db2.gz NZBXGXXEEMPQKG-ZDUSSCGKSA-N 1 0 378.303 4.427 20 0 GIADRO CC(C)CNC(=O)c1cccc(C[NH2+][C@H](C)c2cccc(-n3cccn3)c2)c1 ZINC000183570496 822496253 /nfs/dbraw/zinc/49/62/53/822496253.db2.gz COSJGPBMIIVIEN-GOSISDBHSA-N 1 0 376.504 4.109 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)c2cnc3ccc(F)cc3c2)CC[N@@H+]1Cc1ccccc1 ZINC000179521437 822496367 /nfs/dbraw/zinc/49/63/67/822496367.db2.gz RUGDVKHZOFAPDF-VGSWGCGISA-N 1 0 391.490 4.499 20 0 GIADRO CC(C)Oc1ccc([C@@H](C)[NH2+]CC(=O)NCc2ccc(OC(F)F)cc2)cc1 ZINC000179526596 822497149 /nfs/dbraw/zinc/49/71/49/822497149.db2.gz JRIICIILCCBERD-OAHLLOKOSA-N 1 0 392.446 4.042 20 0 GIADRO CC(C)Oc1ccc([C@H](C)[NH2+]CC(=O)NCCc2nc3ccccc3s2)cc1 ZINC000179527374 822497274 /nfs/dbraw/zinc/49/72/74/822497274.db2.gz HMVDTZVJSAPFBC-INIZCTEOSA-N 1 0 397.544 4.093 20 0 GIADRO CCC[C@H]1C[C@H](C(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)CCO1 ZINC000183580237 822497341 /nfs/dbraw/zinc/49/73/41/822497341.db2.gz KGEBYRSWERVMOU-MJGOQNOKSA-N 1 0 376.566 4.078 20 0 GIADRO CC(C)c1cnc(C[NH2+]C[C@H](c2ccc(Cl)cc2)N2CCOCC2)s1 ZINC000183584834 822497810 /nfs/dbraw/zinc/49/78/10/822497810.db2.gz KSAHJQDLGKUCLK-QGZVFWFLSA-N 1 0 379.957 4.083 20 0 GIADRO CC(C)c1cnc(C[NH2+]C[C@@H](c2ccc(Cl)cc2)N2CCOCC2)s1 ZINC000183584813 822497827 /nfs/dbraw/zinc/49/78/27/822497827.db2.gz KSAHJQDLGKUCLK-KRWDZBQOSA-N 1 0 379.957 4.083 20 0 GIADRO COc1ccc(C[NH2+]Cc2ccc(OC(F)F)c(Br)c2)cc1O ZINC000179546283 822500921 /nfs/dbraw/zinc/50/09/21/822500921.db2.gz GYJHLCDDCSSXMF-UHFFFAOYSA-N 1 0 388.208 4.055 20 0 GIADRO COC(=O)COc1ccccc1[C@H](C)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000183610814 822501027 /nfs/dbraw/zinc/50/10/27/822501027.db2.gz RSOBQSFRCKBRAA-RBUKOAKNSA-N 1 0 396.531 4.115 20 0 GIADRO Cc1c2ccccc2oc1[C@H](C)[NH2+]CC(=O)Nc1ccccc1N1CCCC1=O ZINC000183611543 822501243 /nfs/dbraw/zinc/50/12/43/822501243.db2.gz BQRWVMLGTXHOTJ-INIZCTEOSA-N 1 0 391.471 4.157 20 0 GIADRO C[C@@H]([NH2+]CC1(c2ccc(F)cc2Cl)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000179554105 822502568 /nfs/dbraw/zinc/50/25/68/822502568.db2.gz NGABNYWDBZGNOL-CYBMUJFWSA-N 1 0 381.900 4.265 20 0 GIADRO CSCC1CCC(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000454594248 822502961 /nfs/dbraw/zinc/50/29/61/822502961.db2.gz LWAOWBGVZHUSEE-GHOZHQTGSA-N 1 0 389.609 4.261 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CSc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000454603215 822504236 /nfs/dbraw/zinc/50/42/36/822504236.db2.gz RLOZVSHLFIADDC-MISYRCLQSA-N 1 0 395.572 4.228 20 0 GIADRO CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3sc(C)nc3C(F)(F)F)ccc2NC1=O ZINC000183644617 822505588 /nfs/dbraw/zinc/50/55/88/822505588.db2.gz GHZFRYLMHGXYBW-ZANVPECISA-N 1 0 399.438 4.431 20 0 GIADRO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[NH2+]C(C)(C)c1cccc(F)c1 ZINC000179575127 822505911 /nfs/dbraw/zinc/50/59/11/822505911.db2.gz BEEMMXXVFOSRIQ-UHFFFAOYSA-N 1 0 394.494 4.400 20 0 GIADRO COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000179577165 822506043 /nfs/dbraw/zinc/50/60/43/822506043.db2.gz FIIWJPKJAZYBAW-SOUVJXGZSA-N 1 0 392.446 4.213 20 0 GIADRO Cc1ccc(S(=O)(=O)CCC[NH2+][C@@H](C)c2cccc(OC(F)F)c2)cc1 ZINC000179579468 822506374 /nfs/dbraw/zinc/50/63/74/822506374.db2.gz GQUNFYFYXCTFAH-HNNXBMFYSA-N 1 0 383.460 4.111 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCN(c2c(F)cccc2F)C1=O)c1cccc(OC(F)F)c1 ZINC000179582286 822506783 /nfs/dbraw/zinc/50/67/83/822506783.db2.gz NAOSAGCUOVAJSA-BZNIZROVSA-N 1 0 382.357 4.022 20 0 GIADRO CC(C)([NH2+]CC(=O)N[C@H](c1nccs1)c1ccccc1)c1cccc(F)c1 ZINC000179582829 822506846 /nfs/dbraw/zinc/50/68/46/822506846.db2.gz WMPPDDKJNBIOQS-IBGZPJMESA-N 1 0 383.492 4.013 20 0 GIADRO CCC(CC)n1nc(C)cc1C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000179584746 822507077 /nfs/dbraw/zinc/50/70/77/822507077.db2.gz MNCFJBSTUWMRGZ-UHFFFAOYSA-N 1 0 397.567 4.255 20 0 GIADRO CCOc1ccc(-c2nc(C[NH2+][C@@H](CCO)C(C)(C)C)cs2)cc1OC ZINC000183660198 822507231 /nfs/dbraw/zinc/50/72/31/822507231.db2.gz IUIAABFUNUCAML-SFHVURJKSA-N 1 0 378.538 4.104 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1cccc2c1N=S=N2)c1cccc(OC(F)F)c1 ZINC000179592011 822508729 /nfs/dbraw/zinc/50/87/29/822508729.db2.gz CZZYQHTWPZMJFF-SNVBAGLBSA-N 1 0 378.404 4.304 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2c(F)cccc2F)cc1 ZINC000183674545 822509471 /nfs/dbraw/zinc/50/94/71/822509471.db2.gz UUATYXSIMFOSQF-ZIAGYGMSSA-N 1 0 384.430 4.137 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1 ZINC000046722071 822509755 /nfs/dbraw/zinc/50/97/55/822509755.db2.gz RBPJEIYKVAOSRR-UHFFFAOYSA-N 1 0 397.700 4.295 20 0 GIADRO CCc1nc2c(s1)[C@@H]([NH2+][C@@H](CC(C)C)C(=O)Nc1nccs1)CCC2 ZINC000179601581 822510676 /nfs/dbraw/zinc/51/06/76/822510676.db2.gz PZJPVMJJSZIWAC-JSGCOSHPSA-N 1 0 378.567 4.182 20 0 GIADRO Fc1ccc(-n2ccc(CC[NH2+][C@@H](c3ccccc3)c3ccc(F)cn3)n2)cc1 ZINC000183686219 822511066 /nfs/dbraw/zinc/51/10/66/822511066.db2.gz COOFCDAVAQJBEN-QHCPKHFHSA-N 1 0 390.437 4.467 20 0 GIADRO C[C@H]([NH2+]CC(=O)N1CCSc2ccccc21)c1ccc(OC(F)F)cc1 ZINC000179603858 822511124 /nfs/dbraw/zinc/51/11/24/822511124.db2.gz IBSAHPAKVBISHH-ZDUSSCGKSA-N 1 0 378.444 4.078 20 0 GIADRO COc1ccc(C)cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000183687247 822511356 /nfs/dbraw/zinc/51/13/56/822511356.db2.gz VKSVIAQZRNJVFP-IRXDYDNUSA-N 1 0 392.503 4.176 20 0 GIADRO Cc1c(NC(=O)NC(C)(C)CCC[NH+](C)C)cccc1C(=O)Nc1ccccc1 ZINC000454649830 822512054 /nfs/dbraw/zinc/51/20/54/822512054.db2.gz LPGZAZIMSXEYRI-UHFFFAOYSA-N 1 0 396.535 4.489 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]CCCS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000183690219 822512100 /nfs/dbraw/zinc/51/21/00/822512100.db2.gz IAYYVGJSPRYZBS-GOSISDBHSA-N 1 0 397.544 4.004 20 0 GIADRO Clc1cccc(N2CCCC2)c1C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000179611705 822512692 /nfs/dbraw/zinc/51/26/92/822512692.db2.gz YVWOMRUPSCMGQH-UHFFFAOYSA-N 1 0 395.938 4.363 20 0 GIADRO CCN(C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)[C@@H](C)c1cccc(OC)c1 ZINC000046751063 822512859 /nfs/dbraw/zinc/51/28/59/822512859.db2.gz GPLUHKCYUHHXKG-OALUTQOASA-N 1 0 375.557 4.442 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000046751114 822512868 /nfs/dbraw/zinc/51/28/68/822512868.db2.gz UHHJFFQBXIPQDA-OALUTQOASA-N 1 0 398.551 4.371 20 0 GIADRO Cc1ccc2[nH]c3c(c2c1)CN(C(=O)NCCCC[N@H+]1CCC[C@H](C)C1)CC3 ZINC000046751918 822513120 /nfs/dbraw/zinc/51/31/20/822513120.db2.gz WAUYENRDAVWMGS-SFHVURJKSA-N 1 0 382.552 4.056 20 0 GIADRO C[C@H]([NH2+]CC(=O)N(C)Cc1ccc(Cl)s1)c1ccc(OC(F)F)cc1 ZINC000179614784 822513381 /nfs/dbraw/zinc/51/33/81/822513381.db2.gz QSWJULLBLQTMHX-NSHDSACASA-N 1 0 388.867 4.312 20 0 GIADRO Cc1c(NC(=O)NCCCC[N@@H+](C)C2CC2)cccc1C(=O)Nc1ccccc1 ZINC000454659329 822513510 /nfs/dbraw/zinc/51/35/10/822513510.db2.gz VGKSQZWTSBAXGK-UHFFFAOYSA-N 1 0 394.519 4.243 20 0 GIADRO CC(C)C[C@H](C)Oc1cc(C[NH2+]Cc2cncc(Br)c2)ccn1 ZINC000183705679 822514492 /nfs/dbraw/zinc/51/44/92/822514492.db2.gz MYPXEONFYNQVEF-AWEZNQCLSA-N 1 0 378.314 4.342 20 0 GIADRO CC[C@@H]([NH2+][C@@H](C)c1cc(OC)c(OC)cc1C)C(=O)Nc1ccc(OC)cc1 ZINC000179625291 822515007 /nfs/dbraw/zinc/51/50/07/822515007.db2.gz KPMWZOVIAFXSQE-HNAYVOBHSA-N 1 0 386.492 4.089 20 0 GIADRO COc1cc(C)c([C@H](C)[NH2+]CC(=O)N[C@H](C)c2ccc(Cl)cc2)cc1OC ZINC000179627761 822515397 /nfs/dbraw/zinc/51/53/97/822515397.db2.gz XUNLYZXVZIPYTB-CABCVRRESA-N 1 0 390.911 4.194 20 0 GIADRO Fc1ccc([C@@H]([NH2+][C@H]2CCN(c3ncccc3Cl)C2)c2ccccc2)nc1 ZINC000183713857 822515545 /nfs/dbraw/zinc/51/55/45/822515545.db2.gz NYKKNGVQZNNKEZ-PXNSSMCTSA-N 1 0 382.870 4.227 20 0 GIADRO COc1cc(C)c([C@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2F)cc1OC ZINC000179629050 822515889 /nfs/dbraw/zinc/51/58/89/822515889.db2.gz BBUYGWYMECQTRI-LBPRGKRZSA-N 1 0 380.847 4.094 20 0 GIADRO C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000179629824 822516067 /nfs/dbraw/zinc/51/60/67/822516067.db2.gz URBSYYRKFOEAFJ-CABCVRRESA-N 1 0 384.351 4.052 20 0 GIADRO C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000179629793 822516074 /nfs/dbraw/zinc/51/60/74/822516074.db2.gz URBSYYRKFOEAFJ-HUUCEWRRSA-N 1 0 384.351 4.052 20 0 GIADRO COc1cc(OC)cc(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)c1 ZINC000046781317 822516795 /nfs/dbraw/zinc/51/67/95/822516795.db2.gz JNMFNORFIOIEKH-KRWDZBQOSA-N 1 0 382.504 4.008 20 0 GIADRO CC(C)(C)OC(=O)c1ccc(C[NH2+]Cc2cncc(Br)c2)cc1 ZINC000183723098 822516839 /nfs/dbraw/zinc/51/68/39/822516839.db2.gz VBQGTUKRZQJGHL-UHFFFAOYSA-N 1 0 377.282 4.089 20 0 GIADRO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000183725451 822517338 /nfs/dbraw/zinc/51/73/38/822517338.db2.gz SPCYBJWUJBFKRY-XHDPSFHLSA-N 1 0 393.409 4.024 20 0 GIADRO C[NH+](C)C[C@@H]1CCN(Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C1 ZINC000179636183 822517318 /nfs/dbraw/zinc/51/73/18/822517318.db2.gz LOLLLPSRBCFBEX-SFHVURJKSA-N 1 0 378.495 4.062 20 0 GIADRO CC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)NC3CC[NH+](C4CC4)CC3)c12 ZINC000046787431 822517375 /nfs/dbraw/zinc/51/73/75/822517375.db2.gz QMSDMQHBPCKUKT-UHFFFAOYSA-N 1 0 396.535 4.045 20 0 GIADRO O=C(CCc1ccccc1)N1CC[C@@H]([NH2+]CC2CCC(C(F)(F)F)CC2)C1 ZINC000183731534 822518174 /nfs/dbraw/zinc/51/81/74/822518174.db2.gz YHJZAOYTGBWPMN-CTWPCTMYSA-N 1 0 382.470 4.178 20 0 GIADRO COc1cc([C@@H](C)[NH2+]Cc2ccc(N3CCOC3=O)cc2)ccc1OC(F)F ZINC000183736540 822519382 /nfs/dbraw/zinc/51/93/82/822519382.db2.gz FJPFFZOHAFYRTC-CYBMUJFWSA-N 1 0 392.402 4.104 20 0 GIADRO Brc1cncc(CNc2cccc(C[NH+]3CCSCC3)c2)c1 ZINC000183742166 822520375 /nfs/dbraw/zinc/52/03/75/822520375.db2.gz DDKJVSFDDANCTQ-UHFFFAOYSA-N 1 0 378.339 4.005 20 0 GIADRO CC1CC[NH+](Cc2ccc(CN[C@@H](C(=O)NC3CC3)c3ccccc3)cc2)CC1 ZINC000046816405 822520684 /nfs/dbraw/zinc/52/06/84/822520684.db2.gz TVDTWCFYXFIQQI-XMMPIXPASA-N 1 0 391.559 4.028 20 0 GIADRO COc1ccc(Cl)cc1[C@H](CC(C)C)[NH2+]CC(=O)Nc1c(C)n[nH]c1C ZINC000179663486 822522788 /nfs/dbraw/zinc/52/27/88/822522788.db2.gz ZMDRGXOZTLWLGK-INIZCTEOSA-N 1 0 378.904 4.004 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)c2cccc(OC[C@@H]3CCCO3)c2)c1 ZINC000046864083 822525063 /nfs/dbraw/zinc/52/50/63/822525063.db2.gz ZHNKTVMPTOQTII-QFIPXVFZSA-N 1 0 382.504 4.339 20 0 GIADRO COc1cccc([C@H]2[C@H](NC(=O)Nc3cc(F)ccc3F)CC[N@@H+]2C2CC2)c1 ZINC000183767866 822525482 /nfs/dbraw/zinc/52/54/82/822525482.db2.gz LQUJTLFTKURFEH-QUCCMNQESA-N 1 0 387.430 4.073 20 0 GIADRO Cc1cc2cc(NC(=O)N3CC[N@H+](Cc4ccccc4)C[C@H](C)C3)ccc2[nH]1 ZINC000454737320 822525559 /nfs/dbraw/zinc/52/55/59/822525559.db2.gz TULDSTWUGUBATM-KRWDZBQOSA-N 1 0 376.504 4.462 20 0 GIADRO C[N@@H+]1CC[C@H](CNC(=O)NCCCC(C)(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000454741501 822526314 /nfs/dbraw/zinc/52/63/14/822526314.db2.gz SXFYBLJYPSDSHD-CJNGLKHVSA-N 1 0 391.865 4.207 20 0 GIADRO Cc1ccc(NCc2cn(C)nc2C2CCCCC2)cc1NC(=O)CC[NH+](C)C ZINC000183774050 822526584 /nfs/dbraw/zinc/52/65/84/822526584.db2.gz UVILXXCWWZWQCY-UHFFFAOYSA-N 1 0 397.567 4.279 20 0 GIADRO O=C(C1CC[NH+](Cc2ccccc2OCc2ccccc2)CC1)N1CCCCC1 ZINC000179687518 822527631 /nfs/dbraw/zinc/52/76/31/822527631.db2.gz MDOQSKQUOFTMBE-UHFFFAOYSA-N 1 0 392.543 4.490 20 0 GIADRO C[C@H]1CN(C(=O)Nc2cc(F)c(F)cc2F)CC[N@H+](Cc2ccccc2)C1 ZINC000454752899 822528359 /nfs/dbraw/zinc/52/83/59/822528359.db2.gz XTRQFLMJBIZHGI-CQSZACIVSA-N 1 0 377.410 4.090 20 0 GIADRO COC(=O)c1oc(CN[C@@H](C)c2cccc(OCc3ccccn3)c2)cc1C ZINC000179693023 822528644 /nfs/dbraw/zinc/52/86/44/822528644.db2.gz YUWPJMAMYVDLCT-INIZCTEOSA-N 1 0 380.444 4.199 20 0 GIADRO Cc1cc(C[N@H+](C)Cc2ccc(Br)s2)ccc1-n1cncn1 ZINC000179695961 822529517 /nfs/dbraw/zinc/52/95/17/822529517.db2.gz HIMXECXIIVEYHG-UHFFFAOYSA-N 1 0 377.311 4.032 20 0 GIADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)NC[C@]2(C)CCCc3ccccc32)CC1 ZINC000179699140 822530119 /nfs/dbraw/zinc/53/01/19/822530119.db2.gz SOMDQGCANUBCNI-DEOSSOPVSA-N 1 0 395.547 4.180 20 0 GIADRO COC(=O)COc1ccccc1[C@H](C)[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000183805363 822530206 /nfs/dbraw/zinc/53/02/06/822530206.db2.gz QERQSXBIWOEZEJ-KRWDZBQOSA-N 1 0 376.456 4.151 20 0 GIADRO C[C@H](NC(=O)N1CC2(CCC2)[C@H]1c1ccco1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000454766965 822530203 /nfs/dbraw/zinc/53/02/03/822530203.db2.gz KOHODNUOCJTBQG-RCZSKKKRSA-N 1 0 393.531 4.427 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)Nc2cccc(OCc3cccnc3)c2)c1 ZINC000046926363 822531694 /nfs/dbraw/zinc/53/16/94/822531694.db2.gz GNXPRMIWVQAUFV-UHFFFAOYSA-N 1 0 390.487 4.044 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)CCC(=O)c1ccc(Cl)cc1 ZINC000046935586 822532833 /nfs/dbraw/zinc/53/28/33/822532833.db2.gz BGQZYGOLLSGICO-UHFFFAOYSA-N 1 0 386.923 4.460 20 0 GIADRO Cn1cc(C[NH2+]Cc2cc3cc(Br)ccc3[nH]2)c(C(C)(C)C)n1 ZINC000183825240 822532924 /nfs/dbraw/zinc/53/29/24/822532924.db2.gz PKMMGNXKXQFQGA-UHFFFAOYSA-N 1 0 375.314 4.251 20 0 GIADRO CCc1nn(C)c(CC)c1C[NH2+]Cc1cc2cc(Br)ccc2[nH]1 ZINC000183826823 822533083 /nfs/dbraw/zinc/53/30/83/822533083.db2.gz MBAQBJUCVXGZIP-UHFFFAOYSA-N 1 0 375.314 4.079 20 0 GIADRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccnn1C(C)C)c1ccccc1OC(F)F ZINC000179719503 822534765 /nfs/dbraw/zinc/53/47/65/822534765.db2.gz DQQWSVSCURANJP-HIFRSBDPSA-N 1 0 380.439 4.133 20 0 GIADRO Cc1cc(C[N@@H+]2CCC[C@H](C3(C)OCCO3)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000183848287 822535460 /nfs/dbraw/zinc/53/54/60/822535460.db2.gz HTHJNEHRVIUDHK-KRWDZBQOSA-N 1 0 387.911 4.080 20 0 GIADRO CCOc1c(Cl)cc(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)cc1OC ZINC000046988854 822536118 /nfs/dbraw/zinc/53/61/18/822536118.db2.gz XXIIASHWXAGNHK-HNNXBMFYSA-N 1 0 382.932 4.132 20 0 GIADRO C[C@@H](NC(=O)C[NH2+][C@H](CCCO)c1ccccc1)c1cccc2ccccc21 ZINC000179730289 822537023 /nfs/dbraw/zinc/53/70/23/822537023.db2.gz HGXHTJIOFOSWES-WZONZLPQSA-N 1 0 376.500 4.120 20 0 GIADRO CCOc1ccccc1[C@H](CC)[NH2+][C@@H](C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000179734943 822538469 /nfs/dbraw/zinc/53/84/69/822538469.db2.gz PPHMZSAIFQUMOI-FFZOFVMBSA-N 1 0 382.504 4.155 20 0 GIADRO Cc1oc(-c2cccs2)nc1CC(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000047037812 822538887 /nfs/dbraw/zinc/53/88/87/822538887.db2.gz QHBUPZYSTJUHFA-HZPDHXFCSA-N 1 0 389.565 4.128 20 0 GIADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)CCCc2nc3ccccc3s2)C1 ZINC000047038671 822539086 /nfs/dbraw/zinc/53/90/86/822539086.db2.gz LHZAPQYHGUQYKS-QZTJIDSGSA-N 1 0 387.593 4.493 20 0 GIADRO CCOc1ccccc1[C@@H](CC)[NH2+][C@@H](C)C(=O)Nc1ccc(OC)cc1OC ZINC000179740854 822540221 /nfs/dbraw/zinc/54/02/21/822540221.db2.gz SRBUNXLEPAHFQR-MAUKXSAKSA-N 1 0 386.492 4.170 20 0 GIADRO C[C@H]1CCN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)[C@H](c2ccco2)C1 ZINC000179743246 822540927 /nfs/dbraw/zinc/54/09/27/822540927.db2.gz SSRUXOVBHYHUMX-PXNSSMCTSA-N 1 0 382.508 4.074 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C2(c3ccc(F)cc3F)CCC2)cc1 ZINC000179753101 822543106 /nfs/dbraw/zinc/54/31/06/822543106.db2.gz ARSWCLLAFMPION-CQSZACIVSA-N 1 0 394.487 4.456 20 0 GIADRO O=C(NCCC[NH2+][C@H](c1ccco1)c1ccc(Br)cc1)C1CCC1 ZINC000183907030 822544049 /nfs/dbraw/zinc/54/40/49/822544049.db2.gz JDCMPPUWPCCVGQ-SFHVURJKSA-N 1 0 391.309 4.028 20 0 GIADRO CCN(Cc1ccccc1Cl)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179756851 822544243 /nfs/dbraw/zinc/54/42/43/822544243.db2.gz OLMRATWCEQBYQF-UHFFFAOYSA-N 1 0 386.927 4.183 20 0 GIADRO Cc1ccc(NC(=O)N2CC[C@@H](C(F)(F)F)C[C@H]2C)c(OCC[NH+](C)C)c1 ZINC000454841833 822544300 /nfs/dbraw/zinc/54/43/00/822544300.db2.gz RDQYQMLYDKPJGA-HUUCEWRRSA-N 1 0 387.446 4.130 20 0 GIADRO Cc1cc(C)c(NC(=O)C[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)c(C)c1 ZINC000179759745 822544855 /nfs/dbraw/zinc/54/48/55/822544855.db2.gz OJXRGZKFLWIZKS-QGZVFWFLSA-N 1 0 379.504 4.250 20 0 GIADRO Cc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)c(Cl)c1 ZINC000179759696 822544917 /nfs/dbraw/zinc/54/49/17/822544917.db2.gz ANFXMWMFGZERNJ-AWEZNQCLSA-N 1 0 385.895 4.286 20 0 GIADRO C[C@H](c1cc2ccccc2o1)N(C)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179760159 822545083 /nfs/dbraw/zinc/54/50/83/822545083.db2.gz RFGYFQYQMUAOLE-QGZVFWFLSA-N 1 0 392.503 4.447 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCC1)N[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000183914636 822545422 /nfs/dbraw/zinc/54/54/22/822545422.db2.gz MZHXDCFXZZBECO-PKTZIBPZSA-N 1 0 393.531 4.002 20 0 GIADRO CC1(c2ccccc2)CCN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000179761334 822545518 /nfs/dbraw/zinc/54/55/18/822545518.db2.gz IPSMLGIDKFRVNJ-UHFFFAOYSA-N 1 0 392.547 4.061 20 0 GIADRO O=C(C[NH2+][C@H](CCCO)c1ccccc1)Nc1ccc(SC(F)F)cc1 ZINC000179761222 822545532 /nfs/dbraw/zinc/54/55/32/822545532.db2.gz RYPSPNOFOWYIAM-QGZVFWFLSA-N 1 0 380.460 4.043 20 0 GIADRO Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCC[NH+]1CCCCC1 ZINC000047140354 822547845 /nfs/dbraw/zinc/54/78/45/822547845.db2.gz FJGXHSMIQFMTRL-UHFFFAOYSA-N 1 0 382.291 4.173 20 0 GIADRO Cc1nc(CSc2ccc(C(=O)NCC[N@H+]3CCCC[C@H]3C)cc2)cs1 ZINC000047142969 822548066 /nfs/dbraw/zinc/54/80/66/822548066.db2.gz KHCPPXUGCYOHRP-OAHLLOKOSA-N 1 0 389.590 4.348 20 0 GIADRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N[C@H]1CCCC[C@H]1CC(F)(F)F ZINC000454863634 822548118 /nfs/dbraw/zinc/54/81/18/822548118.db2.gz APEWPABSWBPJLE-FHWLQOOXSA-N 1 0 397.485 4.319 20 0 GIADRO COc1cc([C@@H](C)[NH2+]Cc2cc(Br)c(OC)c(OC)c2)ccc1F ZINC000179767975 822548499 /nfs/dbraw/zinc/54/84/99/822548499.db2.gz QKAXPKZMBGHRPP-LLVKDONJSA-N 1 0 398.272 4.465 20 0 GIADRO NC(=O)C1CC[NH+](Cc2cccc(N[C@@H]3CCSc4ccccc43)c2)CC1 ZINC000179770547 822549187 /nfs/dbraw/zinc/54/91/87/822549187.db2.gz DTEOWVPIVJFCFJ-HXUWFJFHSA-N 1 0 381.545 4.033 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1F)c1ccc(NC(=O)C2CC2)cc1 ZINC000179772259 822549563 /nfs/dbraw/zinc/54/95/63/822549563.db2.gz XIRKFDTVYWRVRC-LBPRGKRZSA-N 1 0 389.858 4.117 20 0 GIADRO COc1ccc([C@H](Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)C(C)C)cc1 ZINC000179773286 822549999 /nfs/dbraw/zinc/54/99/99/822549999.db2.gz XZFDSDNPFOMTPU-HSZRJFAPSA-N 1 0 395.547 4.202 20 0 GIADRO Cc1ccc2c(c1)OCCC[C@H]2Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000179776135 822550606 /nfs/dbraw/zinc/55/06/06/822550606.db2.gz CBNKKNABPRGSLQ-JOCHJYFZSA-N 1 0 393.531 4.018 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)c2cc(OC(F)F)cc(OC(F)F)c2)c1 ZINC000179779722 822551282 /nfs/dbraw/zinc/55/12/82/822551282.db2.gz ZHFFKUCCAWOPEX-UHFFFAOYSA-N 1 0 386.345 4.203 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1cccc(NC(=O)c2cccs2)c1 ZINC000047187697 822552479 /nfs/dbraw/zinc/55/24/79/822552479.db2.gz JICNFXBIDJCWMT-QGZVFWFLSA-N 1 0 399.560 4.385 20 0 GIADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2ccccc2NC(=O)c2ccccc2)C1 ZINC000047214976 822554992 /nfs/dbraw/zinc/55/49/92/822554992.db2.gz VYPBZWRGWYIULX-LJQANCHMSA-N 1 0 393.531 4.181 20 0 GIADRO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CCC[C@@H]1CCCCO1 ZINC000183994184 822560068 /nfs/dbraw/zinc/56/00/68/822560068.db2.gz DVOXBDXKFDTKFI-ZBFHGGJFSA-N 1 0 388.430 4.241 20 0 GIADRO Cc1cc([C@@H]2CCC[N@@H+]2C[C@H](O)COc2ccc(-c3ccccc3)cc2)on1 ZINC000047273708 822560643 /nfs/dbraw/zinc/56/06/43/822560643.db2.gz RHVNCKROWTYBPP-UNMCSNQZSA-N 1 0 378.472 4.227 20 0 GIADRO Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000047287096 822562187 /nfs/dbraw/zinc/56/21/87/822562187.db2.gz LBMYDVMSGQIKPD-HUUCEWRRSA-N 1 0 394.302 4.313 20 0 GIADRO Cc1c(C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)cnn1C(C)(C)C ZINC000047298460 822563406 /nfs/dbraw/zinc/56/34/06/822563406.db2.gz WNNZYDCBMIMDTP-UHFFFAOYSA-N 1 0 382.552 4.108 20 0 GIADRO O=C(Nc1cccc(OC[C@H]2CCCO2)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000047305481 822563913 /nfs/dbraw/zinc/56/39/13/822563913.db2.gz ASDBCVHTJSQKHI-HSZRJFAPSA-N 1 0 394.515 4.095 20 0 GIADRO CSC1(CNC(=O)N[C@H](c2ccc(F)c(Cl)c2)C2CC2)CC[NH+](C)CC1 ZINC000454974278 822565068 /nfs/dbraw/zinc/56/50/68/822565068.db2.gz OKGGWKJHJZROEO-KRWDZBQOSA-N 1 0 399.963 4.057 20 0 GIADRO CN(C(=O)c1ccc(-c2cccc(OC(F)(F)F)c2)s1)C1CC[NH+](C)CC1 ZINC000179844991 822565130 /nfs/dbraw/zinc/56/51/30/822565130.db2.gz BQOHMXYADPPYPM-UHFFFAOYSA-N 1 0 398.450 4.480 20 0 GIADRO O=C(Nc1cc(Cl)cc(Cl)c1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000047326427 822566879 /nfs/dbraw/zinc/56/68/79/822566879.db2.gz CAAXXXCWQFQBEG-UHFFFAOYSA-N 1 0 379.291 4.175 20 0 GIADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)Nc3ccc(Br)c(Cl)c3)C2)C1 ZINC000454995625 822567632 /nfs/dbraw/zinc/56/76/32/822567632.db2.gz FAGVRUOLNSVGJN-INIZCTEOSA-N 1 0 386.721 4.052 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)CCc1cc(F)ccc1Br)c1cccs1 ZINC000184045480 822569923 /nfs/dbraw/zinc/56/99/23/822569923.db2.gz WUQMPGKXYYMIAA-HNNXBMFYSA-N 1 0 399.329 4.001 20 0 GIADRO O=C(Nc1ccc(Br)cc1Cl)N1CCC([NH+]2CCCC2)CC1 ZINC000047353179 822570094 /nfs/dbraw/zinc/57/00/94/822570094.db2.gz ZUMLAVRWACVPML-UHFFFAOYSA-N 1 0 386.721 4.195 20 0 GIADRO Fc1ccc(COc2cccc(C[NH2+]Cc3ccc(-n4cncn4)cc3)c2)cc1 ZINC000179878287 822570193 /nfs/dbraw/zinc/57/01/93/822570193.db2.gz UGRHVBMUCIZMLO-UHFFFAOYSA-N 1 0 388.446 4.275 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N(C)CCCCc1ccccc1 ZINC000047366932 822571182 /nfs/dbraw/zinc/57/11/82/822571182.db2.gz VZMHVVSOJCQEPE-UHFFFAOYSA-N 1 0 394.563 4.233 20 0 GIADRO C[C@@H](C[C@@H](O)c1cccs1)[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000184057668 822572379 /nfs/dbraw/zinc/57/23/79/822572379.db2.gz NBRUJBZUCNOIDL-MEDUHNTESA-N 1 0 397.331 4.237 20 0 GIADRO O=C(Nc1cc(Cl)ccc1F)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000047376652 822572494 /nfs/dbraw/zinc/57/24/94/822572494.db2.gz LIKWMYKQDFXCLB-UHFFFAOYSA-N 1 0 379.838 4.404 20 0 GIADRO O=C(Nc1ccccc1SC(F)F)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000047378202 822572767 /nfs/dbraw/zinc/57/27/67/822572767.db2.gz HMGJEGJAXBOMCF-UHFFFAOYSA-N 1 0 392.475 4.182 20 0 GIADRO CC[C@H](C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1)c1ccc(OC)cc1 ZINC000179897353 822573157 /nfs/dbraw/zinc/57/31/57/822573157.db2.gz SKTJADAFUKAXHV-QHCPKHFHSA-N 1 0 395.547 4.358 20 0 GIADRO CC(=O)c1ccc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)cc1C ZINC000455026342 822573998 /nfs/dbraw/zinc/57/39/98/822573998.db2.gz RQLXVOVDVGBBQV-QGZVFWFLSA-N 1 0 379.504 4.183 20 0 GIADRO COc1c(C)cc(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)cc1C ZINC000179904766 822574410 /nfs/dbraw/zinc/57/44/10/822574410.db2.gz SFFMYAWITGDKDK-UHFFFAOYSA-N 1 0 399.510 4.234 20 0 GIADRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc2nc(Cc3ccccc3)oc2c1 ZINC000179908474 822575017 /nfs/dbraw/zinc/57/50/17/822575017.db2.gz RQTDDKYEHWORNY-QFBILLFUSA-N 1 0 390.487 4.119 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000047398105 822575063 /nfs/dbraw/zinc/57/50/63/822575063.db2.gz TWBNTPCNYRMLGS-UHFFFAOYSA-N 1 0 390.531 4.259 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2ncccc2C(F)(F)F)C1 ZINC000179910295 822575093 /nfs/dbraw/zinc/57/50/93/822575093.db2.gz WUKBMBOGNWAZCK-OAHLLOKOSA-N 1 0 391.437 4.262 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3cccnc3C(F)(F)F)cc2)C1 ZINC000179911271 822575437 /nfs/dbraw/zinc/57/54/37/822575437.db2.gz NCFBZYCWPBDTGK-OAHLLOKOSA-N 1 0 391.437 4.262 20 0 GIADRO COc1cc2c(cc1NC(=O)C[N@H+](C[C@@H]1CCOC1)C1CC1)oc1ccccc12 ZINC000047405710 822575889 /nfs/dbraw/zinc/57/58/89/822575889.db2.gz DJFXHVVXSGBAMR-HNNXBMFYSA-N 1 0 394.471 4.034 20 0 GIADRO O=C(NCCCCC[NH+]1CCCC1)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000455037832 822577219 /nfs/dbraw/zinc/57/72/19/822577219.db2.gz RZBHZNQIIFOFRB-INIZCTEOSA-N 1 0 375.479 4.017 20 0 GIADRO C[C@H](CC(=O)NCCCC[NH+]1CCC(C)CC1)C(=O)c1ccc(Cl)cc1 ZINC000179920000 822577277 /nfs/dbraw/zinc/57/72/77/822577277.db2.gz RBDSKPOMTXDICR-QGZVFWFLSA-N 1 0 378.944 4.177 20 0 GIADRO CCCC(=O)Nc1ccc(Cl)c(NC(=O)N2CC[NH+]([C@H](C)CC)CC2)c1 ZINC000455039422 822577857 /nfs/dbraw/zinc/57/78/57/822577857.db2.gz CVQOASBCUHRHDD-CQSZACIVSA-N 1 0 380.920 4.027 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)c2cc(C)nc3c2cnn3C(C)C)CC1 ZINC000184102244 822578319 /nfs/dbraw/zinc/57/83/19/822578319.db2.gz NQQQNKGNGKRNDB-UHFFFAOYSA-N 1 0 399.583 4.295 20 0 GIADRO CC(C)[C@@H]1CN(C(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)CCCO1 ZINC000455051965 822580880 /nfs/dbraw/zinc/58/08/80/822580880.db2.gz GHBJWKKYFRTWRS-QFIPXVFZSA-N 1 0 387.568 4.240 20 0 GIADRO C[C@H](F)CCNC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000455060630 822582515 /nfs/dbraw/zinc/58/25/15/822582515.db2.gz SXIPHESEDQNWIA-JLJPHGGASA-N 1 0 389.437 4.136 20 0 GIADRO CCC[N@H+](C)[C@H](CNC(=O)N(C)Cc1conc1CC)c1ccc(Cl)cc1 ZINC000455059573 822582536 /nfs/dbraw/zinc/58/25/36/822582536.db2.gz YSNVKZHSNNPVPU-LJQANCHMSA-N 1 0 392.931 4.115 20 0 GIADRO CC(C)[C@H](C)NC(=O)C1CC[NH+](Cc2c(Cl)cccc2N2CCCC2)CC1 ZINC000179945085 822582650 /nfs/dbraw/zinc/58/26/50/822582650.db2.gz ZKVBOZMAWPIERV-KRWDZBQOSA-N 1 0 391.987 4.313 20 0 GIADRO CCc1nc(C)c(CNC(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)o1 ZINC000455066047 822583501 /nfs/dbraw/zinc/58/35/01/822583501.db2.gz WOTMXQKNTYSHKU-UHFFFAOYSA-N 1 0 384.524 4.142 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)NCc2ccc(OCc3ccccn3)cc2)c1 ZINC000047505684 822585109 /nfs/dbraw/zinc/58/51/09/822585109.db2.gz NVSZHAVKFRNMPQ-UHFFFAOYSA-N 1 0 390.487 4.044 20 0 GIADRO CC(C)[N@@H+](Cc1ccc(NC(=O)N2CC[C@H]2C2CC2)cc1)C[C@H]1CCCCO1 ZINC000455079586 822586355 /nfs/dbraw/zinc/58/63/55/822586355.db2.gz SYWMSTLJQTXMNL-YADHBBJMSA-N 1 0 385.552 4.482 20 0 GIADRO O=C(Nc1cccc(OC(F)F)c1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000047521723 822586653 /nfs/dbraw/zinc/58/66/53/822586653.db2.gz CNJWAHRQCKPCJG-UHFFFAOYSA-N 1 0 393.409 4.213 20 0 GIADRO COc1cc(C(=O)Nc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)cc(OC)c1OC ZINC000047522237 822586859 /nfs/dbraw/zinc/58/68/59/822586859.db2.gz GDYGSRJMVIUWMR-MRXNPFEDSA-N 1 0 398.503 4.339 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@H]2CCCOc3cc(F)ccc32)cc(OC)c1OC ZINC000179965999 822586943 /nfs/dbraw/zinc/58/69/43/822586943.db2.gz PGALFSBOEBGKCO-DYVFJYSZSA-N 1 0 375.440 4.416 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000179976772 822589039 /nfs/dbraw/zinc/58/90/39/822589039.db2.gz YMCCEEIIHYFREM-YZVOILCLSA-N 1 0 397.544 4.036 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cncn2)cc1)c1nc2ccc(Cl)cc2n1C ZINC000179977233 822589152 /nfs/dbraw/zinc/58/91/52/822589152.db2.gz UJHNIKUJBHHLOZ-UONOGXRCSA-N 1 0 380.883 4.219 20 0 GIADRO CC(C)COC[C@H]([NH2+]C[C@@H](O)c1cccc(Br)c1)c1ccco1 ZINC000184169357 822589963 /nfs/dbraw/zinc/58/99/63/822589963.db2.gz OFYDQEHQCBRHHD-DLBZAZTESA-N 1 0 382.298 4.079 20 0 GIADRO Cc1cccc(NC(=S)NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c1C ZINC000047567409 822591420 /nfs/dbraw/zinc/59/14/20/822591420.db2.gz JJKAQERUHIJONC-QZTJIDSGSA-N 1 0 397.588 4.399 20 0 GIADRO CCOc1ccccc1C1=CCN(C(=O)NCCCCC[NH+]2CCCC2)CC1 ZINC000455119153 822591711 /nfs/dbraw/zinc/59/17/11/822591711.db2.gz PYWXUKOTYFQNDR-UHFFFAOYSA-N 1 0 385.552 4.150 20 0 GIADRO COc1ccc([C@H](C)Nc2cc(C[NH+](C)C)ccc2C)cc1Cn1cccn1 ZINC000179990542 822591798 /nfs/dbraw/zinc/59/17/98/822591798.db2.gz ROMBFDITRPZLLH-SFHVURJKSA-N 1 0 378.520 4.483 20 0 GIADRO C[C@@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000179995473 822592824 /nfs/dbraw/zinc/59/28/24/822592824.db2.gz CFALQPOCBDKELZ-APWZRJJASA-N 1 0 387.451 4.191 20 0 GIADRO COc1ccc(NC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)cc1OC(C)C ZINC000184190244 822593536 /nfs/dbraw/zinc/59/35/36/822593536.db2.gz IKQFONRIYSQDSV-KRWDZBQOSA-N 1 0 377.529 4.116 20 0 GIADRO O=C1CCCN1CCC[NH2+][C@@H](c1ccccc1)c1ccccc1Br ZINC000180007737 822594724 /nfs/dbraw/zinc/59/47/24/822594724.db2.gz MOKZPPJRJVKNRA-FQEVSTJZSA-N 1 0 387.321 4.141 20 0 GIADRO [NH3+]CC1(CC(=O)Nc2cccc(C[S@](=O)c3ccccc3)c2)CCCCC1 ZINC000184199903 822594976 /nfs/dbraw/zinc/59/49/76/822594976.db2.gz BQMMIXUJYHMBKP-MHZLTWQESA-N 1 0 384.545 4.232 20 0 GIADRO CC[C@H]1Oc2cc([C@@H](C)[NH2+]CC(=O)Nc3ccccc3C(C)C)ccc2NC1=O ZINC000180009831 822595523 /nfs/dbraw/zinc/59/55/23/822595523.db2.gz ULGLEXJSFNQTIU-FOIQADDNSA-N 1 0 395.503 4.209 20 0 GIADRO O=C(Nc1cccc(COCc2ccco2)c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000047603955 822595937 /nfs/dbraw/zinc/59/59/37/822595937.db2.gz GCJKDGAZPCKFOF-UHFFFAOYSA-N 1 0 397.519 4.479 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc3ncccc32)cc1OC ZINC000047608691 822596299 /nfs/dbraw/zinc/59/62/99/822596299.db2.gz YHYHCYYWPSJAIK-JKSUJKDBSA-N 1 0 393.487 4.320 20 0 GIADRO CCOc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(OCC)c(OC)c1 ZINC000047609034 822596324 /nfs/dbraw/zinc/59/63/24/822596324.db2.gz PVNKCUWBEXAFFT-JKSUJKDBSA-N 1 0 386.492 4.170 20 0 GIADRO CCCNC(=O)CN1CCC([NH2+][C@@H](c2ccc(Cl)c(Cl)c2)C2CC2)CC1 ZINC000180013564 822596644 /nfs/dbraw/zinc/59/66/44/822596644.db2.gz FODCWGUTUIUUOX-HXUWFJFHSA-N 1 0 398.378 4.025 20 0 GIADRO COc1ccc(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1OC(C)C ZINC000184217080 822597693 /nfs/dbraw/zinc/59/76/93/822597693.db2.gz SGSZVSMLPQYKSG-UHFFFAOYSA-N 1 0 389.540 4.401 20 0 GIADRO COc1ccccc1[C@H]([NH2+]Cc1ccc(N2CCO[C@@H](C)C2)nc1)C1CCCC1 ZINC000180020997 822598268 /nfs/dbraw/zinc/59/82/68/822598268.db2.gz PVOJPQLVAWHCQE-MHECFPHRSA-N 1 0 395.547 4.336 20 0 GIADRO C[C@@H]1CN(c2ccc(C[NH2+][C@@H](c3ccccc3F)C3CCCC3)cn2)CCO1 ZINC000180021134 822598321 /nfs/dbraw/zinc/59/83/21/822598321.db2.gz HDEVLIKDZPHPNH-UZUQRXQVSA-N 1 0 383.511 4.467 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)Nc1nc2ccccc2s1 ZINC000180024386 822599232 /nfs/dbraw/zinc/59/92/32/822599232.db2.gz QTIRVLVPIYCPOK-UHFFFAOYSA-N 1 0 395.532 4.462 20 0 GIADRO C[C@@H]([NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1)c1nc2ccccc2n1C ZINC000180030834 822600858 /nfs/dbraw/zinc/60/08/58/822600858.db2.gz JBYLKRJXBMAFQZ-OAHLLOKOSA-N 1 0 384.474 4.167 20 0 GIADRO C[C@H]([NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1)c1nc2ccccc2n1C ZINC000180030816 822600869 /nfs/dbraw/zinc/60/08/69/822600869.db2.gz JBYLKRJXBMAFQZ-HNNXBMFYSA-N 1 0 384.474 4.167 20 0 GIADRO Cc1nc2ccccc2n1CCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000180031775 822601279 /nfs/dbraw/zinc/60/12/79/822601279.db2.gz SZEBTDOAINZDOJ-YQQQUEKLSA-N 1 0 398.551 4.255 20 0 GIADRO CC(=O)NCCC[NH2+][C@@H](c1ccc(Cl)cc1)c1ccc(OC(F)F)cc1 ZINC000180036876 822602037 /nfs/dbraw/zinc/60/20/37/822602037.db2.gz GUHDCNPGZQXZAV-SFHVURJKSA-N 1 0 382.838 4.147 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Nc1cccc(NC(=O)OC)c1)c1ccccc1 ZINC000047711183 822602005 /nfs/dbraw/zinc/60/20/05/822602005.db2.gz PGQQOYNGVHOFIF-LJQANCHMSA-N 1 0 384.480 4.070 20 0 GIADRO COC(=O)Nc1cccc(NC(=O)NCc2ccccc2C[N@H+](C)C(C)C)c1 ZINC000047713295 822602112 /nfs/dbraw/zinc/60/21/12/822602112.db2.gz ZYUIEBFOEXVEBE-UHFFFAOYSA-N 1 0 384.480 4.027 20 0 GIADRO CC[C@@H](C)Sc1ccc(NC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)c(C)c1 ZINC000184248382 822602606 /nfs/dbraw/zinc/60/26/06/822602606.db2.gz FVXFRKZSBGCQMR-QZTJIDSGSA-N 1 0 392.613 4.033 20 0 GIADRO CC(C)Oc1ncccc1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000047720989 822603861 /nfs/dbraw/zinc/60/38/61/822603861.db2.gz VGSWPWPPBGAALU-UHFFFAOYSA-N 1 0 399.498 4.406 20 0 GIADRO CCOc1cc(C[NH2+][C@@H](C)c2ccc(NC(=O)NC(C)C)cc2)ccc1OC ZINC000047723384 822603866 /nfs/dbraw/zinc/60/38/66/822603866.db2.gz HEBBNNPGVHUWCM-INIZCTEOSA-N 1 0 385.508 4.475 20 0 GIADRO CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccc(OC)c(OC)c2)cc1 ZINC000047724627 822604132 /nfs/dbraw/zinc/60/41/32/822604132.db2.gz GOOIIFHFJQGMDI-MRXNPFEDSA-N 1 0 385.508 4.428 20 0 GIADRO COc1cc2c(cc1C[NH2+][C@H](C)c1ccc(NC(=O)NC3CC3)cc1)O[C@@H](C)C2 ZINC000047725824 822604217 /nfs/dbraw/zinc/60/42/17/822604217.db2.gz UCLOKURLRKMEPO-LSDHHAIUSA-N 1 0 395.503 4.153 20 0 GIADRO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H](C)C[S@@](C)=O)cc1C ZINC000184256352 822604194 /nfs/dbraw/zinc/60/41/94/822604194.db2.gz RAKWKOHEXCIUOO-DNOBIOAJSA-N 1 0 381.545 4.013 20 0 GIADRO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H](C)C[S@](C)=O)cc1C ZINC000184256291 822604200 /nfs/dbraw/zinc/60/42/00/822604200.db2.gz RAKWKOHEXCIUOO-MYUZEXMDSA-N 1 0 381.545 4.013 20 0 GIADRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCC(OC2CCCCC2)CC1 ZINC000455189389 822604276 /nfs/dbraw/zinc/60/42/76/822604276.db2.gz JECKVJKEZRDSPP-IBGZPJMESA-N 1 0 379.589 4.020 20 0 GIADRO C[C@H](C[S@@](C)=O)[NH2+]Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000184261448 822605147 /nfs/dbraw/zinc/60/51/47/822605147.db2.gz AWSQYYSRPOZSES-YEBMWUKDSA-N 1 0 386.344 4.429 20 0 GIADRO Cc1cc(C)c(NC(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)cc1Br ZINC000455195298 822605405 /nfs/dbraw/zinc/60/54/05/822605405.db2.gz PAXXHQMLXGBKSI-CYBMUJFWSA-N 1 0 394.357 4.404 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000455196649 822605797 /nfs/dbraw/zinc/60/57/97/822605797.db2.gz IDCUTYZQRSBPNG-AWEZNQCLSA-N 1 0 379.854 4.363 20 0 GIADRO CCc1ccc([C@@H](CNC(=O)Nc2ccc(OCCOC)cc2C)[NH+](C)C)cc1 ZINC000047760864 822606906 /nfs/dbraw/zinc/60/69/06/822606906.db2.gz IMEONLXVOOVTGT-JOCHJYFZSA-N 1 0 399.535 4.007 20 0 GIADRO C[C@H](C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+]Cc1nccn1C(F)F ZINC000180065817 822607686 /nfs/dbraw/zinc/60/76/86/822607686.db2.gz BGLUUCOXMBTDKP-CABCVRRESA-N 1 0 386.487 4.326 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)NC1CCC(C(F)(F)F)CC1 ZINC000047777924 822608667 /nfs/dbraw/zinc/60/86/67/822608667.db2.gz LELPVSLEOIOSAC-GPANFISMSA-N 1 0 387.446 4.227 20 0 GIADRO CCCNC(=O)c1cccc(C[NH2+]Cc2ccccc2OCc2cccnc2)c1 ZINC000047794095 822609586 /nfs/dbraw/zinc/60/95/86/822609586.db2.gz ZTBMJTJZNBACSW-UHFFFAOYSA-N 1 0 389.499 4.090 20 0 GIADRO C[C@H](C[S@](C)=O)[NH2+][C@@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC000184300507 822610843 /nfs/dbraw/zinc/61/08/43/822610843.db2.gz OOBCUVVFBYZIJV-IPTDYSPRSA-N 1 0 384.314 4.034 20 0 GIADRO CC(C)Oc1ccc(NC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)c(Cl)c1 ZINC000455227051 822612543 /nfs/dbraw/zinc/61/25/43/822612543.db2.gz SLSBIAGUIKDUSZ-HNNXBMFYSA-N 1 0 379.932 4.465 20 0 GIADRO COc1ccc(C[NH2+][C@@H](C)c2ccc3c(c2)CCC(=O)N3)cc1OCC(C)C ZINC000047827509 822612965 /nfs/dbraw/zinc/61/29/65/822612965.db2.gz RIUADFUIMZRVLM-INIZCTEOSA-N 1 0 382.504 4.466 20 0 GIADRO C[C@H](NC(=O)NC[C@H](c1cccs1)[NH+](C)C)c1cccc(OC(F)F)c1 ZINC000047832238 822613256 /nfs/dbraw/zinc/61/32/56/822613256.db2.gz QNYNZTZMEDXNRB-SWLSCSKDSA-N 1 0 383.464 4.013 20 0 GIADRO CC(C)Oc1ccccc1[C@@H](C)NC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000047832300 822613270 /nfs/dbraw/zinc/61/32/70/822613270.db2.gz LVUIDLRMYUIBJV-NVXWUHKLSA-N 1 0 375.538 4.198 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(Br)cc1F)c1ccc2c(c1)CCC(=O)N2 ZINC000047828440 822613282 /nfs/dbraw/zinc/61/32/82/822613282.db2.gz TZOMAFRYXQWTES-LLVKDONJSA-N 1 0 377.257 4.324 20 0 GIADRO CC(C)Sc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000180090453 822613487 /nfs/dbraw/zinc/61/34/87/822613487.db2.gz VFJPKDHAXCNUFC-GJZGRUSLSA-N 1 0 378.563 4.246 20 0 GIADRO CC[C@H](NC(=O)NC[C@H](c1cccs1)[NH+](C)C)c1ccccc1OC(F)F ZINC000047832349 822613513 /nfs/dbraw/zinc/61/35/13/822613513.db2.gz OPLSKISRHMWCFZ-LSDHHAIUSA-N 1 0 397.491 4.403 20 0 GIADRO O=C(NCCCCC[NH+]1CCCC1)Nc1c(F)cc(F)cc1Br ZINC000455232868 822613770 /nfs/dbraw/zinc/61/37/70/822613770.db2.gz ZMVILLQQDXZUGC-UHFFFAOYSA-N 1 0 390.272 4.115 20 0 GIADRO COc1ccc(CN(C)C(=O)C[NH2+][C@@H](C)c2oc3ccc(OC)cc3c2C)cc1 ZINC000184320332 822614241 /nfs/dbraw/zinc/61/42/41/822614241.db2.gz MHHVSIAFJIHELQ-INIZCTEOSA-N 1 0 396.487 4.068 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Nc1cc(F)c(N2CCCC2)c(F)c1)c1ccsc1 ZINC000047861948 822614611 /nfs/dbraw/zinc/61/46/11/822614611.db2.gz RDXCSMNJAQZIKN-KRWDZBQOSA-N 1 0 394.491 4.051 20 0 GIADRO C[C@@H]([NH2+][C@H](c1ccc(Cl)cc1)C1CCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000180097397 822614656 /nfs/dbraw/zinc/61/46/56/822614656.db2.gz NTWOJRSPQAEHOH-YJYMSZOUSA-N 1 0 378.925 4.179 20 0 GIADRO CC[C@H](C(=O)NCC1CC[NH+](Cc2cccs2)CC1)c1ccc(OC)cc1 ZINC000180103989 822615821 /nfs/dbraw/zinc/61/58/21/822615821.db2.gz PAYCKWIDQWWPEP-NRFANRHFSA-N 1 0 386.561 4.279 20 0 GIADRO COc1ccc(OCc2ccccn2)c(CNCC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000184332325 822616773 /nfs/dbraw/zinc/61/67/73/822616773.db2.gz QWFLGQZNVYWDHB-LJQANCHMSA-N 1 0 383.536 4.023 20 0 GIADRO CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(OC)cc1 ZINC000180108755 822616997 /nfs/dbraw/zinc/61/69/97/822616997.db2.gz QPHAWJQUDOXAPE-LAUBAEHRSA-N 1 0 386.561 4.279 20 0 GIADRO Cc1c2ccccc2oc1[C@@H]([NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1)C(C)C ZINC000180109630 822617235 /nfs/dbraw/zinc/61/72/35/822617235.db2.gz OHTRXYLCFYVDFO-YWZLYKJASA-N 1 0 386.517 4.437 20 0 GIADRO Cc1cncc([C@H](C)[NH2+]C[C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)c1 ZINC000184333764 822617249 /nfs/dbraw/zinc/61/72/49/822617249.db2.gz KCSKBRGEGKFAOU-OXJNMPFZSA-N 1 0 393.453 4.133 20 0 GIADRO COc1ccc2oc([C@H](C)[NH2+][C@@H](C)C(=O)N3CCc4sccc4C3)c(C)c2c1 ZINC000184333421 822617338 /nfs/dbraw/zinc/61/73/38/822617338.db2.gz CXQDUXMVDPUHIV-GJZGRUSLSA-N 1 0 398.528 4.435 20 0 GIADRO COc1ccc2oc([C@H](C)[NH2+][C@@H](C)C(=O)Nc3ccnn3C(C)C)c(C)c2c1 ZINC000184335715 822617722 /nfs/dbraw/zinc/61/77/22/822617722.db2.gz VQYQXQODWDYTGP-GJZGRUSLSA-N 1 0 384.480 4.205 20 0 GIADRO O=C(N[C@H]1CCCC[C@H]1CC(F)(F)F)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000455252946 822618239 /nfs/dbraw/zinc/61/82/39/822618239.db2.gz DZGQWKHWFFEFJZ-LAQRGFTBSA-N 1 0 387.490 4.156 20 0 GIADRO COc1ccc2oc([C@H](C)[NH2+]CC(=O)Nc3ccc(OC)c(OC)c3)c(C)c2c1 ZINC000184342006 822618802 /nfs/dbraw/zinc/61/88/02/822618802.db2.gz PMAOHLSORPBPSS-AWEZNQCLSA-N 1 0 398.459 4.056 20 0 GIADRO Cc1cnc([C@H](C)C[NH2+]CC2=Cc3cc(Br)ccc3OC2)s1 ZINC000184345264 822619388 /nfs/dbraw/zinc/61/93/88/822619388.db2.gz RJRXMGMVDGDZGK-LLVKDONJSA-N 1 0 379.323 4.383 20 0 GIADRO C[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1ccc(Br)s1 ZINC000180121201 822619489 /nfs/dbraw/zinc/61/94/89/822619489.db2.gz YAUQOTQOUHASAD-RVSPLBMKSA-N 1 0 393.350 4.176 20 0 GIADRO Cc1csc(=O)n1CC[NH2+][C@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000184348391 822619994 /nfs/dbraw/zinc/61/99/94/822619994.db2.gz DQGIQOVCZRCVJG-GFCCVEGCSA-N 1 0 377.510 4.140 20 0 GIADRO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C(=O)Nc3ccccc3)cc2)[C@@H]1c1ccccc1 ZINC000180123463 822620092 /nfs/dbraw/zinc/62/00/92/822620092.db2.gz XUECIOMRYKMVGX-PKTZIBPZSA-N 1 0 399.494 4.114 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]CC(=O)N1CCC[C@H](C)C1 ZINC000184349681 822620256 /nfs/dbraw/zinc/62/02/56/822620256.db2.gz VOUVHKXOHMYNKI-KBPBESRZSA-N 1 0 375.513 4.167 20 0 GIADRO CC[C@H](NCc1c(Cl)cccc1N1CC[NH+](C)CC1)c1nc(C)cs1 ZINC000180126460 822620878 /nfs/dbraw/zinc/62/08/78/822620878.db2.gz UKSIVJNZQKIKMA-KRWDZBQOSA-N 1 0 378.973 4.098 20 0 GIADRO CCOC(=O)Nc1ccc(NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000047944950 822621311 /nfs/dbraw/zinc/62/13/11/822621311.db2.gz GOXKJFFAQJPMFL-MRXNPFEDSA-N 1 0 376.501 4.031 20 0 GIADRO COc1cc(C(C)=O)ccc1OC[C@H](O)C[NH2+][C@H](C)c1cc2ccccc2s1 ZINC000184356866 822621351 /nfs/dbraw/zinc/62/13/51/822621351.db2.gz AANGQZLGKOKHBM-RDTXWAMCSA-N 1 0 399.512 4.203 20 0 GIADRO CCOC(=O)Nc1ccc(NC(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000047945057 822621470 /nfs/dbraw/zinc/62/14/70/822621470.db2.gz PCFFIBLKCMDGQN-IAGOWNOFSA-N 1 0 390.528 4.135 20 0 GIADRO CCOC(=O)Nc1ccc(NC(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000047945055 822621482 /nfs/dbraw/zinc/62/14/82/822621482.db2.gz PCFFIBLKCMDGQN-IRXDYDNUSA-N 1 0 390.528 4.135 20 0 GIADRO CCOC(=O)Nc1ccc(NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000047945744 822621520 /nfs/dbraw/zinc/62/15/20/822621520.db2.gz YJWLISQAWKOGFH-UHFFFAOYSA-N 1 0 396.491 4.173 20 0 GIADRO COCc1ccc([C@H]2CCCN2C(=O)NCc2ccccc2C[NH+]2CCCC2)o1 ZINC000184359299 822621782 /nfs/dbraw/zinc/62/17/82/822621782.db2.gz RTNHGTWOAUWUCU-OAQYLSRUSA-N 1 0 397.519 4.069 20 0 GIADRO Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000047949014 822622138 /nfs/dbraw/zinc/62/21/38/822622138.db2.gz BKFPVWRJJMRKJU-GOSISDBHSA-N 1 0 394.519 4.243 20 0 GIADRO CCOCc1ccccc1CNC(=O)C[NH2+][C@@H](C)c1cc2ccccc2s1 ZINC000184368397 822623280 /nfs/dbraw/zinc/62/32/80/822623280.db2.gz ONDGGQNXOQMJFA-INIZCTEOSA-N 1 0 382.529 4.405 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)Nc2cc(C)n(-c3ccccc3Cl)n2)CC1 ZINC000180135555 822623537 /nfs/dbraw/zinc/62/35/37/822623537.db2.gz MKXUTXLGHRTMRE-UHFFFAOYSA-N 1 0 389.931 4.172 20 0 GIADRO CC[NH+]1CCC(NC(=O)NC[C@@H]2CC3c4ccccc4C2c2ccccc23)CC1 ZINC000047978577 822623625 /nfs/dbraw/zinc/62/36/25/822623625.db2.gz CQGDRPPVNXCWJV-XWFFHEKESA-N 1 0 389.543 4.067 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)Nc2ccc(Cl)cc2OC(F)F)CC1 ZINC000184377475 822624609 /nfs/dbraw/zinc/62/46/09/822624609.db2.gz DKICJDLILGFZCZ-UHFFFAOYSA-N 1 0 375.847 4.280 20 0 GIADRO COc1ccccc1[C@@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)C1CCCC1 ZINC000180142746 822625373 /nfs/dbraw/zinc/62/53/73/822625373.db2.gz AKHFQKJHGAZLFY-QFIPXVFZSA-N 1 0 387.545 4.261 20 0 GIADRO O=C(Nc1cc2c(cc1Br)CCC2)NC1CC[NH+](C2CCC2)CC1 ZINC000455280528 822625767 /nfs/dbraw/zinc/62/57/67/822625767.db2.gz ITEPFYZZZKJCRN-UHFFFAOYSA-N 1 0 392.341 4.076 20 0 GIADRO O=C(Nc1ccc(Cl)c(OC(F)F)c1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000180145085 822625935 /nfs/dbraw/zinc/62/59/35/822625935.db2.gz CVGQBNFXQYWAHC-BLLLJJGKSA-N 1 0 399.869 4.422 20 0 GIADRO Cc1ccc(NC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)c(Br)c1 ZINC000048052605 822627441 /nfs/dbraw/zinc/62/74/41/822627441.db2.gz HOEAJFAZRYVIOF-UHFFFAOYSA-N 1 0 382.346 4.342 20 0 GIADRO COc1ccccc1N1CC[C@H]([NH2+][C@@H](C)c2nc3ccc(Cl)cc3n2C)C1 ZINC000180151624 822627575 /nfs/dbraw/zinc/62/75/75/822627575.db2.gz LQTBTVIZKBWXKT-HOCLYGCPSA-N 1 0 384.911 4.165 20 0 GIADRO CSc1c(F)cc(NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1F ZINC000184397196 822628018 /nfs/dbraw/zinc/62/80/18/822628018.db2.gz KPINOENIHUHYHN-UHFFFAOYSA-N 1 0 392.475 4.120 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)Nc2ccc(OCc3ccccc3)nc2)CC1 ZINC000048085706 822630689 /nfs/dbraw/zinc/63/06/89/822630689.db2.gz CYLTWMXJAAKRKM-UHFFFAOYSA-N 1 0 396.535 4.245 20 0 GIADRO CN(Cc1cc(F)c(F)c(F)c1)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000180167947 822631214 /nfs/dbraw/zinc/63/12/14/822631214.db2.gz IJCJCJHAOMDQRQ-LJQANCHMSA-N 1 0 391.437 4.082 20 0 GIADRO CCC(C)(C)c1ccc(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)cc1 ZINC000455312136 822632706 /nfs/dbraw/zinc/63/27/06/822632706.db2.gz WOPBRGZSNWJPRC-WCRBZPEASA-N 1 0 387.568 4.480 20 0 GIADRO Cc1c(NC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)cccc1N(C)C ZINC000180182946 822634149 /nfs/dbraw/zinc/63/41/49/822634149.db2.gz IILVHSPBYJRKQO-UHFFFAOYSA-N 1 0 394.563 4.233 20 0 GIADRO Cn1cc(C[NH+]2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)c(C(C)(C)C)n1 ZINC000180183677 822634638 /nfs/dbraw/zinc/63/46/38/822634638.db2.gz XXRJIHRBADVJOD-IBGZPJMESA-N 1 0 375.944 4.317 20 0 GIADRO O=C(Nc1nc(Cc2ccccc2)cs1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000184435573 822634636 /nfs/dbraw/zinc/63/46/36/822634636.db2.gz CNFUGBFOWRQANK-UHFFFAOYSA-N 1 0 384.549 4.216 20 0 GIADRO CCOc1cccc(NC(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)c1 ZINC000048118482 822634886 /nfs/dbraw/zinc/63/48/86/822634886.db2.gz CVHBFELSORUPRU-OAQYLSRUSA-N 1 0 383.492 4.053 20 0 GIADRO COc1ccccc1[C@H](O)C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180190333 822635709 /nfs/dbraw/zinc/63/57/09/822635709.db2.gz KQTPRJKDOFFHQD-IFMALSPDSA-N 1 0 378.428 4.016 20 0 GIADRO Cc1c(NC(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)cccc1N(C)C ZINC000180190369 822635914 /nfs/dbraw/zinc/63/59/14/822635914.db2.gz WHTHPXSKEUIACI-GOSISDBHSA-N 1 0 380.536 4.189 20 0 GIADRO CCN(CC)c1ccc(C(=O)Nc2ccccc2C[NH+]2CCSCC2)cc1 ZINC000180191382 822636120 /nfs/dbraw/zinc/63/61/20/822636120.db2.gz BMVCPBMIPLYJEM-UHFFFAOYSA-N 1 0 383.561 4.334 20 0 GIADRO CO[C@@H](C[NH2+][C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)c1ccccc1 ZINC000180194200 822636765 /nfs/dbraw/zinc/63/67/65/822636765.db2.gz XKSZEEFELZABHG-XZOQPEGZSA-N 1 0 395.524 4.157 20 0 GIADRO O=C(Nc1ccc(N2CCCC2)c(F)c1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000048138654 822637623 /nfs/dbraw/zinc/63/76/23/822637623.db2.gz RZKPRQVEVPHCGA-UHFFFAOYSA-N 1 0 396.510 4.166 20 0 GIADRO CC(C)n1nc(-c2ccco2)cc1NC(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000455353099 822638942 /nfs/dbraw/zinc/63/89/42/822638942.db2.gz ZADMTPOBCKJCSV-MRXNPFEDSA-N 1 0 385.512 4.062 20 0 GIADRO Cc1cc([C@H](NCCC[NH+]2CCC(O)CC2)c2ccccc2Cl)ccc1F ZINC000180211918 822640379 /nfs/dbraw/zinc/64/03/79/822640379.db2.gz JHBKXDLOWVJNFB-QFIPXVFZSA-N 1 0 390.930 4.313 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000180216751 822641219 /nfs/dbraw/zinc/64/12/19/822641219.db2.gz UDWQADJJXIXLRE-BJKOFHAPSA-N 1 0 385.511 4.371 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)Nc1ccc(OCC(F)(F)F)c(F)c1 ZINC000455367161 822641366 /nfs/dbraw/zinc/64/13/66/822641366.db2.gz JEVDPYDLTITOCI-UHFFFAOYSA-N 1 0 379.398 4.009 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1Cc1ccccc1 ZINC000180218737 822641618 /nfs/dbraw/zinc/64/16/18/822641618.db2.gz WOCIERUDCNQBPN-UHFFFAOYSA-N 1 0 385.511 4.319 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000180220503 822641809 /nfs/dbraw/zinc/64/18/09/822641809.db2.gz HQTIIAOOQMGLGN-ZEQRLZLVSA-N 1 0 385.511 4.371 20 0 GIADRO CC(C)c1cccc(O[C@@H](C)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000180222868 822642440 /nfs/dbraw/zinc/64/24/40/822642440.db2.gz UNFHUQCGTLKESZ-SFHVURJKSA-N 1 0 381.520 4.005 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1ccc([S@](C)=O)cc1 ZINC000180228105 822643756 /nfs/dbraw/zinc/64/37/56/822643756.db2.gz NDXSOYPKFXQKNT-OLRSEVLOSA-N 1 0 381.900 4.397 20 0 GIADRO COc1ccc2sc(C(=O)NCC3CCN(c4cc[nH+]cc4)CC3)c(C)c2c1 ZINC000180230219 822644383 /nfs/dbraw/zinc/64/43/83/822644383.db2.gz QGWRDQCJFRUZBM-UHFFFAOYSA-N 1 0 395.528 4.260 20 0 GIADRO COc1ccc(NC(=O)[C@H]([NH2+]C[C@@H](C)c2nccs2)c2ccccc2)cc1 ZINC000184489640 822644681 /nfs/dbraw/zinc/64/46/81/822644681.db2.gz XYQGJASNQYORMK-DNVCBOLYSA-N 1 0 381.501 4.225 20 0 GIADRO CC1(C)CN(C(=O)Nc2cncc(F)c2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000455387282 822644678 /nfs/dbraw/zinc/64/46/78/822644678.db2.gz JFEIIUUDKBIFQO-NRFANRHFSA-N 1 0 396.510 4.375 20 0 GIADRO CC[C@H](C)[NH+]1CCN(C(=O)Nc2ccc(F)cc2OCCC(F)(F)F)CC1 ZINC000455388991 822644985 /nfs/dbraw/zinc/64/49/85/822644985.db2.gz VZOPULQGFLWTQW-ZDUSSCGKSA-N 1 0 391.409 4.105 20 0 GIADRO Cn1cc(C[NH2+]C[C@@H](O)c2c(Cl)cccc2Cl)c(-c2ccccc2)n1 ZINC000180239658 822646244 /nfs/dbraw/zinc/64/62/44/822646244.db2.gz UBFUAKDDOBGVQY-QGZVFWFLSA-N 1 0 376.287 4.217 20 0 GIADRO CCOCc1ccccc1CNC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000048221015 822646360 /nfs/dbraw/zinc/64/63/60/822646360.db2.gz QVXOADWQONYOQI-UHFFFAOYSA-N 1 0 395.547 4.208 20 0 GIADRO CCN1CC[C@H]([NH2+][C@@H]2CCCc3c2cnn3C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180240842 822646388 /nfs/dbraw/zinc/64/63/88/822646388.db2.gz YZKMINSUQREWFL-HBFSDRIKSA-N 1 0 376.907 4.015 20 0 GIADRO CC(C)(C)OC(=O)c1cccc(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)c1 ZINC000180243446 822646830 /nfs/dbraw/zinc/64/68/30/822646830.db2.gz NVGAQANVTDTETL-OAQYLSRUSA-N 1 0 389.536 4.192 20 0 GIADRO Cc1cc2ncn(C[C@H](O)C[NH2+][C@H](C)c3nc(C(C)(C)C)cs3)c2cc1C ZINC000184505135 822646988 /nfs/dbraw/zinc/64/69/88/822646988.db2.gz KGWUGFJDDVHEOJ-HZPDHXFCSA-N 1 0 386.565 4.119 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)C[NH2+][C@H](c2ccc(Cl)cc2F)C(C)C)c1 ZINC000180255309 822649189 /nfs/dbraw/zinc/64/91/89/822649189.db2.gz GOHPGUMXJSTUES-FQEVSTJZSA-N 1 0 391.874 4.363 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Nc1cc(NC(C)=O)ccc1C)c1ccccc1 ZINC000048271555 822650432 /nfs/dbraw/zinc/65/04/32/822650432.db2.gz YRRWRVONDLFBTL-OAQYLSRUSA-N 1 0 382.508 4.158 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)Cc1cc(F)c(F)c(F)c1 ZINC000180267164 822651382 /nfs/dbraw/zinc/65/13/82/822651382.db2.gz NMNVKRCPSDUQNQ-UHFFFAOYSA-N 1 0 393.453 4.287 20 0 GIADRO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1)CC3 ZINC000180274835 822652494 /nfs/dbraw/zinc/65/24/94/822652494.db2.gz WOQDQLGFIKYPAC-NVXWUHKLSA-N 1 0 382.529 4.088 20 0 GIADRO CCc1nc2ccccc2n1C1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000180276670 822652966 /nfs/dbraw/zinc/65/29/66/822652966.db2.gz XAHYBORRYNJPCY-UHFFFAOYSA-N 1 0 390.531 4.138 20 0 GIADRO Cc1cc(NC(=O)c2ncccc2C(F)(F)F)ccc1OCC[NH+]1CCCC1 ZINC000180279241 822653704 /nfs/dbraw/zinc/65/37/04/822653704.db2.gz CJJQQNYUYOCYJS-UHFFFAOYSA-N 1 0 393.409 4.136 20 0 GIADRO CC1CC[NH+](Cc2ccccc2CNC(=O)CCSCc2ccccn2)CC1 ZINC000048323494 822653894 /nfs/dbraw/zinc/65/38/94/822653894.db2.gz ADDVYIAVOZHSJY-UHFFFAOYSA-N 1 0 397.588 4.253 20 0 GIADRO CCC[C@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(C(F)(F)F)c1 ZINC000455440139 822654358 /nfs/dbraw/zinc/65/43/58/822654358.db2.gz AVISMFVCLISVDU-FBVQUNGASA-N 1 0 383.458 4.471 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)c1 ZINC000180288815 822656144 /nfs/dbraw/zinc/65/61/44/822656144.db2.gz JUXNJWUIUGFADR-JOCHJYFZSA-N 1 0 386.467 4.303 20 0 GIADRO C[C@@H](Oc1ccccc1NC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1)C(F)(F)F ZINC000455451725 822657060 /nfs/dbraw/zinc/65/70/60/822657060.db2.gz UGJDVSZTVKLTBV-LSDHHAIUSA-N 1 0 399.457 4.354 20 0 GIADRO CN(C)C(=O)CCC[NH2+][C@H](c1ccc(Br)cc1)c1ccccc1F ZINC000180299995 822659406 /nfs/dbraw/zinc/65/94/06/822659406.db2.gz VHLUIQDINLJPEZ-LJQANCHMSA-N 1 0 393.300 4.136 20 0 GIADRO O=C(Nc1cc(F)c(F)cc1N1CCCCC1)NC1CC[NH+](C2CCC2)CC1 ZINC000455468540 822660340 /nfs/dbraw/zinc/66/03/40/822660340.db2.gz RECNFYXRZZTBJE-UHFFFAOYSA-N 1 0 392.494 4.094 20 0 GIADRO CC(=O)c1ccc(NC(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)cc1 ZINC000184586156 822661766 /nfs/dbraw/zinc/66/17/66/822661766.db2.gz KDGVWBJFTOMOPE-GOSISDBHSA-N 1 0 393.409 4.332 20 0 GIADRO CSc1ccc([C@@H](CNC(=O)Nc2ncc(Cl)cc2C)[NH+](C)C)cc1 ZINC000455486166 822663763 /nfs/dbraw/zinc/66/37/63/822663763.db2.gz YNRBIHSFOIQORC-MRXNPFEDSA-N 1 0 378.929 4.190 20 0 GIADRO Cc1c(NC(=O)NCc2ccc(CC[NH+](C)C)cc2)cccc1-c1ncco1 ZINC000455498378 822666228 /nfs/dbraw/zinc/66/62/28/822666228.db2.gz BMSONWAVSQWQGO-UHFFFAOYSA-N 1 0 378.476 4.076 20 0 GIADRO CC(C)(CNC(=O)Nc1cccc(NC(=O)c2ccccc2)c1)[NH+]1CCCCC1 ZINC000048481258 822666502 /nfs/dbraw/zinc/66/65/02/822666502.db2.gz PBEYDAPLNRPLHF-UHFFFAOYSA-N 1 0 394.519 4.325 20 0 GIADRO CC(C)C[NH+]1CCC(NC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)CC1 ZINC000048481500 822666648 /nfs/dbraw/zinc/66/66/48/822666648.db2.gz WQQKGBNRIFQEIG-UHFFFAOYSA-N 1 0 394.519 4.181 20 0 GIADRO CCCCOc1ccc([C@H](C)[NH2+]Cc2cnn(C)c2C(F)(F)F)cc1OC ZINC000180346468 822667313 /nfs/dbraw/zinc/66/73/13/822667313.db2.gz TYZUDWFOOSFRFO-ZDUSSCGKSA-N 1 0 385.430 4.477 20 0 GIADRO CCN(Cc1ccc2c(c1)OCO2)C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000184624687 822667368 /nfs/dbraw/zinc/66/73/68/822667368.db2.gz MHABYAYJFOFAIT-UHFFFAOYSA-N 1 0 394.515 4.066 20 0 GIADRO CC[N@H+](CCNC(=O)Nc1ccc(-c2ccncc2)c(C)c1)CCC(F)(F)F ZINC000455507750 822668285 /nfs/dbraw/zinc/66/82/85/822668285.db2.gz NDKNBQPMDIRASN-UHFFFAOYSA-N 1 0 394.441 4.453 20 0 GIADRO C[C@H]([NH2+]C1(c2ccc(Cl)cc2)CCC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000180353868 822668818 /nfs/dbraw/zinc/66/88/18/822668818.db2.gz DGZXZYNJKNIYNC-AWEZNQCLSA-N 1 0 378.925 4.442 20 0 GIADRO CN(CC[N@H+](C)C1CC1)C(=O)Nc1ccc(Br)c(Cl)c1Cl ZINC000184633983 822668944 /nfs/dbraw/zinc/66/89/44/822668944.db2.gz YKSFPXWXAKQRNN-UHFFFAOYSA-N 1 0 395.128 4.314 20 0 GIADRO CC1CC[NH+]([C@@H](CNC(=O)Nc2cccc(OCC#N)c2)c2cccs2)CC1 ZINC000048513885 822669261 /nfs/dbraw/zinc/66/92/61/822669261.db2.gz MFKSEBKJDCOBHY-IBGZPJMESA-N 1 0 398.532 4.245 20 0 GIADRO CCOc1cccc2cc([C@@H](C)[NH2+]CC(=O)Nc3cc(OC)cc(OC)c3)oc21 ZINC000180355901 822669487 /nfs/dbraw/zinc/66/94/87/822669487.db2.gz LBCUKWCESCHXBM-CQSZACIVSA-N 1 0 398.459 4.138 20 0 GIADRO CCOc1cccc2cc([C@H](C)[NH2+]CC(=O)N[C@H]3CCOc4ccccc43)oc21 ZINC000180360021 822670079 /nfs/dbraw/zinc/67/00/79/822670079.db2.gz MAWRZDTUAKEKQM-YJBOKZPZSA-N 1 0 394.471 4.122 20 0 GIADRO CC1CC[NH+]([C@H](CNC(=O)NCc2ccc(Cl)cn2)c2cccs2)CC1 ZINC000180366962 822671028 /nfs/dbraw/zinc/67/10/28/822671028.db2.gz XILKWJSQPWDQDE-QGZVFWFLSA-N 1 0 392.956 4.069 20 0 GIADRO CCOC(=O)Nc1ccc(NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000184662526 822672230 /nfs/dbraw/zinc/67/22/30/822672230.db2.gz QMXKSYDPRMTZAR-UHFFFAOYSA-N 1 0 395.503 4.496 20 0 GIADRO COc1ccc([C@H](C[NH2+][C@@H](C)c2ccccc2OC(F)F)N(C)C)cc1OC ZINC000180378526 822672441 /nfs/dbraw/zinc/67/24/41/822672441.db2.gz WOEFLGLZUFILOC-YOEHRIQHSA-N 1 0 394.462 4.259 20 0 GIADRO COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H](c2ccc(OC)c(OC)c2)N(C)C)cc1 ZINC000180378810 822672574 /nfs/dbraw/zinc/67/25/74/822672574.db2.gz OHAYQMWQWMFFFP-WWMYMODYSA-N 1 0 386.536 4.097 20 0 GIADRO COc1ccc([C@@H](C[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)N(C)C)cc1OC ZINC000180379218 822672608 /nfs/dbraw/zinc/67/26/08/822672608.db2.gz BMUZYKKIWZYLOF-KBXCAEBGSA-N 1 0 394.462 4.259 20 0 GIADRO C[C@@H](NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C)c1ccc(C(F)(F)F)cc1 ZINC000048568526 822673154 /nfs/dbraw/zinc/67/31/54/822673154.db2.gz QNAJKMGYBUYJKA-WBMJQRKESA-N 1 0 385.455 4.430 20 0 GIADRO O=C(N[C@H](c1cccc(C(F)(F)F)c1)C1CC1)NC1CC[NH+](C2CCC2)CC1 ZINC000455551832 822673915 /nfs/dbraw/zinc/67/39/15/822673915.db2.gz FFIMSTMNRWQODX-IBGZPJMESA-N 1 0 395.469 4.473 20 0 GIADRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc3cc(Br)ccc3[nH]2)c1 ZINC000184675553 822674524 /nfs/dbraw/zinc/67/45/24/822674524.db2.gz ZWLHYNZPQULCCF-LLVKDONJSA-N 1 0 375.266 4.495 20 0 GIADRO Cc1nc(-c2cccc(NC(=O)C3(C)CC[NH+](Cc4ccccc4)CC3)c2)n[nH]1 ZINC000184679753 822675276 /nfs/dbraw/zinc/67/52/76/822675276.db2.gz JHGJLSHEVNDMML-UHFFFAOYSA-N 1 0 389.503 4.021 20 0 GIADRO Cc1cc(C(=O)N(CC(C)C)C2CC[NH+](C)CC2)nn1-c1cccc(Cl)c1 ZINC000180398791 822675599 /nfs/dbraw/zinc/67/55/99/822675599.db2.gz JLYJQFXIMRUZSG-UHFFFAOYSA-N 1 0 388.943 4.027 20 0 GIADRO C[C@H](c1cnccn1)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000184684114 822676205 /nfs/dbraw/zinc/67/62/05/822676205.db2.gz DQXDNSFIOYCSSG-OAHLLOKOSA-N 1 0 378.442 4.153 20 0 GIADRO Cc1cc(F)ccc1CCNC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180403024 822676242 /nfs/dbraw/zinc/67/62/42/822676242.db2.gz MIXAFWQMHFQOAT-UHFFFAOYSA-N 1 0 398.526 4.020 20 0 GIADRO CC[N@@H+](Cc1cc(Cl)cc(OC)c1O)CC1CCN(c2ccccn2)CC1 ZINC000184696630 822678083 /nfs/dbraw/zinc/67/80/83/822678083.db2.gz SAXHWQNGCLTQEZ-UHFFFAOYSA-N 1 0 389.927 4.188 20 0 GIADRO COc1cccc(COc2cccc(Cl)c2C[NH2+]C2CCC(O)CC2)c1 ZINC000048686512 822678162 /nfs/dbraw/zinc/67/81/62/822678162.db2.gz ZZSWHUKTSUXKBJ-UHFFFAOYSA-N 1 0 375.896 4.321 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2)CC1 ZINC000180419805 822678494 /nfs/dbraw/zinc/67/84/94/822678494.db2.gz ZWWQXRACQRJWQS-UHFFFAOYSA-N 1 0 381.564 4.372 20 0 GIADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N[C@@H](c1ccccc1)C(F)F ZINC000455585346 822678814 /nfs/dbraw/zinc/67/88/14/822678814.db2.gz BXPDSODVTHRQCX-WBVHZDCISA-N 1 0 379.476 4.191 20 0 GIADRO CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000180422859 822679026 /nfs/dbraw/zinc/67/90/26/822679026.db2.gz RTZKPNULQYGMEX-QHCPKHFHSA-N 1 0 395.547 4.322 20 0 GIADRO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000048710950 822679155 /nfs/dbraw/zinc/67/91/55/822679155.db2.gz BYBRPUMHEKMXLR-UHFFFAOYSA-N 1 0 395.938 4.428 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1cc(F)c(F)c(F)c1F ZINC000180431105 822680471 /nfs/dbraw/zinc/68/04/71/822680471.db2.gz JAYNYGXZGTVSRS-UHFFFAOYSA-N 1 0 395.400 4.017 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1cc(Cl)c(Cl)n1C ZINC000180430679 822680537 /nfs/dbraw/zinc/68/05/37/822680537.db2.gz YQSTYDIYNJXAPH-UHFFFAOYSA-N 1 0 395.334 4.106 20 0 GIADRO CCCCOc1ccc([C@@H](C)[NH2+]Cc2cc3c(c(OC)c2)OCO3)cc1OC ZINC000048745293 822680644 /nfs/dbraw/zinc/68/06/44/822680644.db2.gz QWWHMTOMNCCVFY-OAHLLOKOSA-N 1 0 387.476 4.462 20 0 GIADRO CCCCOc1ccc([C@H](C)[NH2+]Cc2cc3c(c(OC)c2)OCO3)cc1OC ZINC000048745294 822680682 /nfs/dbraw/zinc/68/06/82/822680682.db2.gz QWWHMTOMNCCVFY-HNNXBMFYSA-N 1 0 387.476 4.462 20 0 GIADRO O=C(CC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1)N1CCCCC1 ZINC000048745472 822680719 /nfs/dbraw/zinc/68/07/19/822680719.db2.gz VVMHZEKHDLAGKH-UHFFFAOYSA-N 1 0 388.515 4.032 20 0 GIADRO CC1CC[NH+](C[C@H]2CCCN(C(=O)N[C@H](c3ccccc3)C(F)F)C2)CC1 ZINC000455595378 822680858 /nfs/dbraw/zinc/68/08/58/822680858.db2.gz JPOPBRPQPDVMFL-IEBWSBKVSA-N 1 0 379.495 4.146 20 0 GIADRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)N[C@H](c3ccccc3)C(F)F)C2)CC1 ZINC000455595382 822680859 /nfs/dbraw/zinc/68/08/59/822680859.db2.gz JPOPBRPQPDVMFL-PKOBYXMFSA-N 1 0 379.495 4.146 20 0 GIADRO COc1cccc(CC[NH2+]Cc2ccccc2OCc2cccnc2)c1OC ZINC000048748605 822681154 /nfs/dbraw/zinc/68/11/54/822681154.db2.gz BCBACCJIJBNWNG-UHFFFAOYSA-N 1 0 378.472 4.010 20 0 GIADRO COc1cc([C@@H](C)[NH2+]Cc2ccc(C(N)=O)cc2)ccc1OCc1ccccc1 ZINC000048775845 822681982 /nfs/dbraw/zinc/68/19/82/822681982.db2.gz GIOUURIITIDXQS-QGZVFWFLSA-N 1 0 390.483 4.224 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1cccc(-n2cccc2)c1 ZINC000180439164 822682182 /nfs/dbraw/zinc/68/21/82/822682182.db2.gz CHJGBECWYORMMV-UHFFFAOYSA-N 1 0 388.515 4.251 20 0 GIADRO COc1ccc(C[NH2+]Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)c(OC)c1 ZINC000048777033 822682429 /nfs/dbraw/zinc/68/24/29/822682429.db2.gz BYCYHWDYBGZKOC-UHFFFAOYSA-N 1 0 385.895 4.450 20 0 GIADRO O=C(c1ccncc1)N1CCC([NH2+]Cc2ccc(SC(F)(F)F)cc2)CC1 ZINC000048785424 822683074 /nfs/dbraw/zinc/68/30/74/822683074.db2.gz KBMVCUDCWHWHBO-UHFFFAOYSA-N 1 0 395.450 4.088 20 0 GIADRO COc1ccccc1SC[C@@H](C)C[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000180445426 822683424 /nfs/dbraw/zinc/68/34/24/822683424.db2.gz LYUKRJWFERAJMV-IRXDYDNUSA-N 1 0 382.533 4.355 20 0 GIADRO COc1ccccc1SC[C@H](C)C[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000180446610 822683576 /nfs/dbraw/zinc/68/35/76/822683576.db2.gz XDKWOGHPZXTATN-GOSISDBHSA-N 1 0 385.577 4.073 20 0 GIADRO CC(=O)Nc1cccc(OCC[NH2+][C@@H](C)[C@H](C)c2nc3ccccc3s2)c1 ZINC000180448425 822684055 /nfs/dbraw/zinc/68/40/55/822684055.db2.gz OITQHEFHQSWGSA-GJZGRUSLSA-N 1 0 383.517 4.415 20 0 GIADRO CC(=O)Nc1cccc(OCC[NH2+][C@H](C)c2nc(-c3ccccc3)cs2)c1 ZINC000180448972 822684105 /nfs/dbraw/zinc/68/41/05/822684105.db2.gz YFWWFJJGIWYTFH-OAHLLOKOSA-N 1 0 381.501 4.498 20 0 GIADRO COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C[NH2+]Cc2ccoc2)c1 ZINC000048815668 822684231 /nfs/dbraw/zinc/68/42/31/822684231.db2.gz FKWKBEVWEYVQOB-UHFFFAOYSA-N 1 0 389.455 4.439 20 0 GIADRO C[C@H](Cc1ccc(O)cc1)[NH2+][C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 ZINC000180449385 822684262 /nfs/dbraw/zinc/68/42/62/822684262.db2.gz IGBPRDGBPZGACV-UZUQRXQVSA-N 1 0 395.524 4.106 20 0 GIADRO C[C@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000455616059 822684860 /nfs/dbraw/zinc/68/48/60/822684860.db2.gz OVQSEKIIDZRDFQ-OAHLLOKOSA-N 1 0 385.474 4.152 20 0 GIADRO COc1ccc([C@@H](NC(=O)NCCCC[N@H+](C)C2CC2)c2ccc(F)cc2)cc1 ZINC000455616091 822684886 /nfs/dbraw/zinc/68/48/86/822684886.db2.gz OXORKZQOUAPLLY-QFIPXVFZSA-N 1 0 399.510 4.097 20 0 GIADRO COc1ccc([C@H](NC(=O)NCCCC[N@H+](C)C2CC2)c2ccc(F)cc2)cc1 ZINC000455616088 822684978 /nfs/dbraw/zinc/68/49/78/822684978.db2.gz OXORKZQOUAPLLY-JOCHJYFZSA-N 1 0 399.510 4.097 20 0 GIADRO COc1ccc([C@H](C)NC(=O)NCc2ccccc2C[N@H+](C)C(C)C)c(OC)c1 ZINC000048828714 822685187 /nfs/dbraw/zinc/68/51/87/822685187.db2.gz KCEQBCGAAYUXHA-KRWDZBQOSA-N 1 0 399.535 4.104 20 0 GIADRO C[N@H+](CCCCNC(=O)N1CC=C(c2ccccc2C(F)(F)F)CC1)C1CC1 ZINC000455622664 822685746 /nfs/dbraw/zinc/68/57/46/822685746.db2.gz UZKIYTVZLFTKQI-UHFFFAOYSA-N 1 0 395.469 4.379 20 0 GIADRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCc1nc(-c2cccs2)no1 ZINC000184751678 822686017 /nfs/dbraw/zinc/68/60/17/822686017.db2.gz NTLYNXQEUNCQQK-HOTGVXAUSA-N 1 0 382.533 4.044 20 0 GIADRO C[C@H]([NH2+]CCCc1cccc(Cl)c1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000180462361 822686463 /nfs/dbraw/zinc/68/64/63/822686463.db2.gz AGHSITWUAHMTLI-INIZCTEOSA-N 1 0 392.952 4.163 20 0 GIADRO Cc1cc(C(=O)NNc2cc[nH+]cc2)c(C)n1-c1cccc(Br)c1 ZINC000180464223 822686800 /nfs/dbraw/zinc/68/68/00/822686800.db2.gz BSYRAPVXZGJXFP-UHFFFAOYSA-N 1 0 385.265 4.009 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)N[C@@H]2CCCOc3cc(Cl)ccc32)c1 ZINC000180466747 822687231 /nfs/dbraw/zinc/68/72/31/822687231.db2.gz MMMKREBXMZCTCO-LJQANCHMSA-N 1 0 387.911 4.115 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)Nc2cc(Cl)ccc2OC(F)(F)F)CC[N@@H+]1C ZINC000455633251 822687423 /nfs/dbraw/zinc/68/74/23/822687423.db2.gz CCUOPBCBHQUBPI-CMPLNLGQSA-N 1 0 379.810 4.185 20 0 GIADRO COc1cc(F)c(NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000184762817 822687684 /nfs/dbraw/zinc/68/76/84/822687684.db2.gz FQWOQCHEMFVVIO-UHFFFAOYSA-N 1 0 386.467 4.084 20 0 GIADRO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]Cc1nc2ccccc2n1C1CC1 ZINC000184774529 822689113 /nfs/dbraw/zinc/68/91/13/822689113.db2.gz ZSLVHGOSSGQKNH-MRXNPFEDSA-N 1 0 376.504 4.441 20 0 GIADRO C[NH+](C)CCn1nccc1NC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000455653314 822692133 /nfs/dbraw/zinc/69/21/33/822692133.db2.gz AHRSHBJSJHCHCE-INIZCTEOSA-N 1 0 396.322 4.121 20 0 GIADRO O=C(c1cc2c(ccc(Cl)c2Cl)[nH]1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000049073923 822692241 /nfs/dbraw/zinc/69/22/41/822692241.db2.gz QZWYBQWJQPFWCM-UHFFFAOYSA-N 1 0 380.319 4.423 20 0 GIADRO CC[NH+](CC)CC1CCN(C(=O)c2sc(-c3ccc(F)cc3)nc2C)CC1 ZINC000049075453 822692354 /nfs/dbraw/zinc/69/23/54/822692354.db2.gz KVZHUNLCLSZXGE-UHFFFAOYSA-N 1 0 389.540 4.452 20 0 GIADRO CC[NH+](CC)CC1CCN(C(=O)COc2ccccc2-c2ccccc2)CC1 ZINC000049075512 822692398 /nfs/dbraw/zinc/69/23/98/822692398.db2.gz CXKDHKCJMWBNQS-UHFFFAOYSA-N 1 0 380.532 4.313 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]CCCc2ccc(Cl)cc2)c1 ZINC000180506342 822692991 /nfs/dbraw/zinc/69/29/91/822692991.db2.gz SDMGDOOMPDLACH-HNNXBMFYSA-N 1 0 390.911 4.297 20 0 GIADRO CSc1ccc([C@@H](CNC(=O)Nc2ccc([C@H]3CCOC3)cc2)[NH+](C)C)cc1 ZINC000455661001 822693839 /nfs/dbraw/zinc/69/38/39/822693839.db2.gz IUUFKEMFEHOOQM-GHTZIAJQSA-N 1 0 399.560 4.337 20 0 GIADRO CC(C)Oc1ccccc1[C@@H](C)NC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000049194657 822694853 /nfs/dbraw/zinc/69/48/53/822694853.db2.gz CIMSCXRQNBTVNE-CRAIPNDOSA-N 1 0 375.538 4.198 20 0 GIADRO C[C@H](CC(=O)NC1CC[NH+](C2CCCC2)CC1)C(=O)c1ccc(Cl)cc1 ZINC000180521051 822695423 /nfs/dbraw/zinc/69/54/23/822695423.db2.gz CALHBUZZSKPQHN-OAHLLOKOSA-N 1 0 376.928 4.072 20 0 GIADRO CCC[C@H](NC(=O)Nc1ccnn1CC[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000455670049 822696605 /nfs/dbraw/zinc/69/66/05/822696605.db2.gz PMNNLHUCIMRNEI-INIZCTEOSA-N 1 0 397.445 4.126 20 0 GIADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(Br)cc1C(F)(F)F ZINC000180529385 822696911 /nfs/dbraw/zinc/69/69/11/822696911.db2.gz OACCWULHNSTZSA-GFCCVEGCSA-N 1 0 393.247 4.072 20 0 GIADRO Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]CCc1cccc(C(N)=O)c1 ZINC000180533388 822697646 /nfs/dbraw/zinc/69/76/46/822697646.db2.gz XFPWYOXOABOEAZ-HNNXBMFYSA-N 1 0 379.529 4.035 20 0 GIADRO CCCOc1ccc([C@@H](C)NC(=O)NCc2cccc(C[NH+](C)C)c2)cc1OC ZINC000049335931 822699407 /nfs/dbraw/zinc/69/94/07/822699407.db2.gz PKGRIZFXAOHESG-QGZVFWFLSA-N 1 0 399.535 4.106 20 0 GIADRO CC(C)c1ccc(NC(=O)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000049382463 822699956 /nfs/dbraw/zinc/69/99/56/822699956.db2.gz JTESRGLJLZXIRF-UHFFFAOYSA-N 1 0 393.531 4.051 20 0 GIADRO COc1cc(F)cc(CNC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000180557347 822702012 /nfs/dbraw/zinc/70/20/12/822702012.db2.gz ZYZYBRSLVIJEDP-UWJYYQICSA-N 1 0 399.510 4.029 20 0 GIADRO COCC[C@](C)(O)C[NH2+][C@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC000180557891 822702069 /nfs/dbraw/zinc/70/20/69/822702069.db2.gz VKAVZYYIXYFUMV-OALUTQOASA-N 1 0 396.300 4.055 20 0 GIADRO COc1cc(F)cc(CNC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000180557326 822702103 /nfs/dbraw/zinc/70/21/03/822702103.db2.gz ZYZYBRSLVIJEDP-UTKZUKDTSA-N 1 0 399.510 4.029 20 0 GIADRO CCC[C@H]1C[C@@H](C(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CCO1 ZINC000180566557 822703734 /nfs/dbraw/zinc/70/37/34/822703734.db2.gz DOWOOILKFLNWHO-OGNFBWPZSA-N 1 0 396.934 4.183 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCC1)Nc1nc(CC(F)(F)F)cs1 ZINC000455696097 822704594 /nfs/dbraw/zinc/70/45/94/822704594.db2.gz HRBBOIPOBUMYPS-UHFFFAOYSA-N 1 0 398.454 4.165 20 0 GIADRO COc1ccccc1OCc1ccc(C(=O)Nc2cccc(C[NH+](C)C)c2)o1 ZINC000049695984 822705729 /nfs/dbraw/zinc/70/57/29/822705729.db2.gz XEIXKAXYAHNMFZ-UHFFFAOYSA-N 1 0 380.444 4.181 20 0 GIADRO CCCN(CC[NH+](CC)CC)C(=O)Nc1ccc(N(C(C)=O)[C@H]2C[C@H]2C)cc1 ZINC000455701795 822706728 /nfs/dbraw/zinc/70/67/28/822706728.db2.gz OUVAEHSHKXRWPT-UTKZUKDTSA-N 1 0 388.556 4.034 20 0 GIADRO Cc1ccc([C@@H]([NH2+]CC2(CS(C)(=O)=O)CC2)c2ccccc2Cl)cc1 ZINC000180600193 822708796 /nfs/dbraw/zinc/70/87/96/822708796.db2.gz MMSMOSJITTZPKR-LJQANCHMSA-N 1 0 377.937 4.152 20 0 GIADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)Nc1ccccc1OCCF ZINC000455711513 822709899 /nfs/dbraw/zinc/70/98/99/822709899.db2.gz GBIOSYCHFYYWKL-MRXNPFEDSA-N 1 0 377.485 4.055 20 0 GIADRO C[C@H](NC(=O)N1CCC([NH+]2CCCCC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000049795566 822709976 /nfs/dbraw/zinc/70/99/76/822709976.db2.gz CSLCVEGXAFOIFD-HNNXBMFYSA-N 1 0 383.458 4.426 20 0 GIADRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)Nc1ccccc1OCCF ZINC000455716972 822711936 /nfs/dbraw/zinc/71/19/36/822711936.db2.gz OVJCXMZVODGHPP-UHFFFAOYSA-N 1 0 391.512 4.130 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(Cn2cccn2)cc1)c1cc(Br)ccc1O ZINC000184919951 822713034 /nfs/dbraw/zinc/71/30/34/822713034.db2.gz GTJGDNKVOLYBGY-AWEZNQCLSA-N 1 0 386.293 4.250 20 0 GIADRO COCOc1ccc(OC)cc1C[N@@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000180620916 822714129 /nfs/dbraw/zinc/71/41/29/822714129.db2.gz FZVWNTSEBRXBIC-ICSRJNTNSA-N 1 0 389.492 4.139 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1)c1ccc(Cl)c2ccccc21 ZINC000184925353 822714172 /nfs/dbraw/zinc/71/41/72/822714172.db2.gz OZZAHDUUABRBDG-KGLIPLIRSA-N 1 0 395.890 4.270 20 0 GIADRO C[C@@H](C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)c1cn(C)c2ccccc12 ZINC000184927411 822714411 /nfs/dbraw/zinc/71/44/11/822714411.db2.gz MFXVIHYAVSQNOI-DYESRHJHSA-N 1 0 379.504 4.218 20 0 GIADRO Cc1sc([C@@H](C)[NH2+]C[C@@H](O)COCC(C)C)nc1-c1ccc(Cl)cc1 ZINC000184942007 822716408 /nfs/dbraw/zinc/71/64/08/822716408.db2.gz XALMGXACTNDVOX-CXAGYDPISA-N 1 0 382.957 4.456 20 0 GIADRO CN1CCCc2cc(NC(=O)NC[C@H]3CCC[N@H+](Cc4cccs4)C3)ccc21 ZINC000050059745 822716677 /nfs/dbraw/zinc/71/66/77/822716677.db2.gz GZDANOLITOGGTG-QGZVFWFLSA-N 1 0 398.576 4.164 20 0 GIADRO Cc1ccc([C@H](CNC(=O)Nc2ccc3c(c2)CCCC3=O)[NH+]2CCCC2)o1 ZINC000455734340 822716692 /nfs/dbraw/zinc/71/66/92/822716692.db2.gz NLRWWJRGBNUOMD-IBGZPJMESA-N 1 0 381.476 4.066 20 0 GIADRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cnc(Cc2ccccc2F)s1 ZINC000184945432 822716741 /nfs/dbraw/zinc/71/67/41/822716741.db2.gz QBMSZKBRAVUMSK-HNNXBMFYSA-N 1 0 377.529 4.113 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2c(C)ccc(F)c2Br)[C@@H](C)C1 ZINC000455744251 822718421 /nfs/dbraw/zinc/71/84/21/822718421.db2.gz DUSSYLHHZVIZEI-JSGCOSHPSA-N 1 0 386.309 4.091 20 0 GIADRO COc1ccc(C[N@H+](C)C[C@@H](O)c2ccc(F)cc2Cl)cc1OC(F)F ZINC000184959366 822718581 /nfs/dbraw/zinc/71/85/81/822718581.db2.gz VSEOOWHRPVSPAP-OAHLLOKOSA-N 1 0 389.801 4.255 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2c(C)ccc(F)c2Br)C[C@H]1C ZINC000455753406 822720048 /nfs/dbraw/zinc/72/00/48/822720048.db2.gz PPCCFRIIDADIMB-CHWSQXEVSA-N 1 0 386.309 4.233 20 0 GIADRO CCSCc1cc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)no1 ZINC000184976112 822720545 /nfs/dbraw/zinc/72/05/45/822720545.db2.gz BSBJKSGDALKYOQ-WIYYLYMNSA-N 1 0 399.560 4.054 20 0 GIADRO O=c1cc(C[NH2+][C@H](Cc2ccccc2)c2cccs2)nc2ccc(Cl)cn12 ZINC000184982422 822721604 /nfs/dbraw/zinc/72/16/04/822721604.db2.gz BJSMFJINTJOFNU-GOSISDBHSA-N 1 0 395.915 4.483 20 0 GIADRO Cc1ccc(F)c(Br)c1NC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000455761325 822721614 /nfs/dbraw/zinc/72/16/14/822721614.db2.gz ZITIQQVTFOHKNS-GFCCVEGCSA-N 1 0 386.309 4.091 20 0 GIADRO Cc1nc(C)c([C@@H](C)[NH2+][C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)s1 ZINC000184995852 822723232 /nfs/dbraw/zinc/72/32/32/822723232.db2.gz BJCUMRQLGVZGAE-RISCZKNCSA-N 1 0 383.439 4.235 20 0 GIADRO C[C@H]([NH2+]Cc1cnn(Cc2ccccc2)c1)c1cc(Br)ccc1O ZINC000184998990 822723553 /nfs/dbraw/zinc/72/35/53/822723553.db2.gz DZJNEJLVWNSYPT-AWEZNQCLSA-N 1 0 386.293 4.250 20 0 GIADRO CCOc1ccc(Cl)c(NC(=O)NCc2cccc(OCC[NH+](C)C)c2)c1 ZINC000455776906 822724520 /nfs/dbraw/zinc/72/45/20/822724520.db2.gz PLEGACNKRKRATJ-UHFFFAOYSA-N 1 0 391.899 4.001 20 0 GIADRO Cn1cc(-c2cc(C[N@@H+]3CC[C@H](Oc4ccc(Cl)c(Cl)c4)C3)on2)cn1 ZINC000185024726 822726436 /nfs/dbraw/zinc/72/64/36/822726436.db2.gz NLLDLDZYTFDBMA-AWEZNQCLSA-N 1 0 393.274 4.035 20 0 GIADRO CCCCn1cc(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)c(C)n1 ZINC000185041463 822728150 /nfs/dbraw/zinc/72/81/50/822728150.db2.gz LCFSIWGBQRGRLQ-GOSISDBHSA-N 1 0 396.457 4.043 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185055260 822729924 /nfs/dbraw/zinc/72/99/24/822729924.db2.gz CXIYVSKHXCHESK-ZDUSSCGKSA-N 1 0 383.319 4.490 20 0 GIADRO Cc1nc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c(-c2ccccc2)o1 ZINC000185072866 822732976 /nfs/dbraw/zinc/73/29/76/822732976.db2.gz OPUCHJIMBMAZRX-UTKZUKDTSA-N 1 0 389.499 4.433 20 0 GIADRO CCCn1ncc(NC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](CC)C2)c1C1CC1 ZINC000455838852 822734743 /nfs/dbraw/zinc/73/47/43/822734743.db2.gz WMEFMCUBBLAFQK-MRXNPFEDSA-N 1 0 375.561 4.193 20 0 GIADRO CCCn1ncc(NC(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)c1C1CC1 ZINC000455838796 822734771 /nfs/dbraw/zinc/73/47/71/822734771.db2.gz WBBQGLPIAVZVTF-HOTGVXAUSA-N 1 0 375.561 4.049 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CC[C@H](COc4ccccc4)C3)ccc21 ZINC000455840331 822735097 /nfs/dbraw/zinc/73/50/97/822735097.db2.gz DHOOPRULFWCHGP-JTSKRJEESA-N 1 0 379.504 4.168 20 0 GIADRO CC[C@@H]1Cc2ccccc2CN1C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000185093698 822736152 /nfs/dbraw/zinc/73/61/52/822736152.db2.gz YRJKLJOMVAODKM-FDDCHVKYSA-N 1 0 392.547 4.154 20 0 GIADRO CN(CCOc1ccccc1Cl)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455846867 822736193 /nfs/dbraw/zinc/73/61/93/822736193.db2.gz BSICGLXDMOYSRV-LJQANCHMSA-N 1 0 387.911 4.432 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CC(Cc4ccc(F)c(F)c4)C3)ccc21 ZINC000455853949 822737486 /nfs/dbraw/zinc/73/74/86/822737486.db2.gz MSLZWUUEPPCTMN-NRFANRHFSA-N 1 0 385.458 4.220 20 0 GIADRO CCOc1cc2c(cc1NC(=O)Nc1ccc3c(c1)CC[C@H]3[NH+](C)C)OCCO2 ZINC000455856670 822738068 /nfs/dbraw/zinc/73/80/68/822738068.db2.gz NZBKZLWBMMEMJU-GOSISDBHSA-N 1 0 397.475 4.049 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000455859044 822738372 /nfs/dbraw/zinc/73/83/72/822738372.db2.gz ZMKSYSIJFFFMMG-BVYCBKJFSA-N 1 0 382.935 4.424 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCCc3cc(F)c(F)c(F)c3)ccc21 ZINC000455869881 822740126 /nfs/dbraw/zinc/74/01/26/822740126.db2.gz WSIFBHMIQFDDSG-GOSISDBHSA-N 1 0 377.410 4.017 20 0 GIADRO CC(C)c1nc([C@@H]2CCCN(C(=O)Nc3ccc4c(c3)CC[C@@H]4[NH+](C)C)C2)no1 ZINC000455873784 822740758 /nfs/dbraw/zinc/74/07/58/822740758.db2.gz ABWLWHPTUPRPJI-APWZRJJASA-N 1 0 397.523 4.153 20 0 GIADRO C[C@H]([NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1)c1cc(Cl)ccc1O ZINC000185137043 822741650 /nfs/dbraw/zinc/74/16/50/822741650.db2.gz KJFPYIPTPLUWQU-AWEZNQCLSA-N 1 0 389.879 4.173 20 0 GIADRO C[N@H+](C[C@@H]1CCCO[C@@H]1c1ccccc1)Cn1c(=O)oc2ccc(Cl)cc21 ZINC000050928073 822742637 /nfs/dbraw/zinc/74/26/37/822742637.db2.gz NCEHSDWJFOOECY-OXJNMPFZSA-N 1 0 386.879 4.305 20 0 GIADRO CC(C)(C)OC(=O)NC1CC[NH+](Cc2ccc(OCc3cccnc3)cc2)CC1 ZINC000050960441 822743219 /nfs/dbraw/zinc/74/32/19/822743219.db2.gz OZPNFFONTLYPKV-UHFFFAOYSA-N 1 0 397.519 4.150 20 0 GIADRO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000051049316 822744878 /nfs/dbraw/zinc/74/48/78/822744878.db2.gz HAGONGMPAPOWOT-SIKLNZKXSA-N 1 0 395.547 4.177 20 0 GIADRO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000051060424 822745330 /nfs/dbraw/zinc/74/53/30/822745330.db2.gz JEANEWLKNWUTKF-INIZCTEOSA-N 1 0 375.900 4.123 20 0 GIADRO Cn1cc(C[NH2+]Cc2ccc(C(F)F)cc2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000185173473 822745374 /nfs/dbraw/zinc/74/53/74/822745374.db2.gz VLGKRCBZLOTEJF-UHFFFAOYSA-N 1 0 399.441 4.476 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N(CCc3ccccc3)[C@@H]3CCOC3)ccc21 ZINC000455902894 822745403 /nfs/dbraw/zinc/74/54/03/822745403.db2.gz GNSGDASHJHUQBQ-FYYLOGMGSA-N 1 0 393.531 4.101 20 0 GIADRO COc1ccccc1C[C@@H](C)N(C)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455905428 822746094 /nfs/dbraw/zinc/74/60/94/822746094.db2.gz HMZGVZJSZARVCU-IERDGZPVSA-N 1 0 381.520 4.339 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)NC[C@@H]3CCN(c4ccc(F)cc4)C3)ccc21 ZINC000455906968 822746552 /nfs/dbraw/zinc/74/65/52/822746552.db2.gz HVJFZBTVACNHMA-AOMKIAJQSA-N 1 0 396.510 4.023 20 0 GIADRO COCCc1ccc(Oc2ccc(NC(=O)N(C)CCC[NH+](C)C)cc2)cc1 ZINC000185189399 822747124 /nfs/dbraw/zinc/74/71/24/822747124.db2.gz OUNFROBQLFMPPF-UHFFFAOYSA-N 1 0 385.508 4.083 20 0 GIADRO CC(C)[C@H](NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)c1nc(C2CC2)no1 ZINC000455916893 822748867 /nfs/dbraw/zinc/74/88/67/822748867.db2.gz KSDNPKBOPMJMTG-ROUUACIJSA-N 1 0 383.496 4.015 20 0 GIADRO CCOC(=O)[C@H]1CCC[N@@H+]([C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)C1 ZINC000051201102 822750431 /nfs/dbraw/zinc/75/04/31/822750431.db2.gz WQOASMREFPWHCW-PXNSSMCTSA-N 1 0 380.488 4.275 20 0 GIADRO CCOCc1ccc(CNC(=O)C[NH2+]C(c2ccccc2)c2ccccc2)cc1 ZINC000051213527 822750663 /nfs/dbraw/zinc/75/06/63/822750663.db2.gz AHCMKGWNXUOTBI-UHFFFAOYSA-N 1 0 388.511 4.219 20 0 GIADRO CC(C)CN(C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1)C1CC1 ZINC000455937164 822753132 /nfs/dbraw/zinc/75/31/32/822753132.db2.gz DDFQYQAZPNVLMF-UHFFFAOYSA-N 1 0 379.932 4.465 20 0 GIADRO C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455939770 822753582 /nfs/dbraw/zinc/75/35/82/822753582.db2.gz SZNDFAMNKNLDQL-PFMMEHNVSA-N 1 0 399.560 4.198 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)[C@@H](C)c2cn(C)c3ccccc23)[NH+]2CCCC2)o1 ZINC000185246417 822754206 /nfs/dbraw/zinc/75/42/06/822754206.db2.gz MOKGBKSQIJOHLW-LAUBAEHRSA-N 1 0 379.504 4.137 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)[C@H](C)c2cn(C)c3ccccc23)[NH+]2CCCC2)o1 ZINC000185246449 822754264 /nfs/dbraw/zinc/75/42/64/822754264.db2.gz MOKGBKSQIJOHLW-DYESRHJHSA-N 1 0 379.504 4.137 20 0 GIADRO O=C(Nc1ccccc1)C1CC[NH+](C[C@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000051286516 822754498 /nfs/dbraw/zinc/75/44/98/822754498.db2.gz CBHCMIVVYFOPIN-IBGZPJMESA-N 1 0 392.421 4.090 20 0 GIADRO CC(C)[C@@H]1CCCN1C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000455943734 822754922 /nfs/dbraw/zinc/75/49/22/822754922.db2.gz LSISPAHXFDLXRS-SFHVURJKSA-N 1 0 379.932 4.465 20 0 GIADRO C[C@@H]1CSCCN(C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)C1 ZINC000455944986 822755250 /nfs/dbraw/zinc/75/52/50/822755250.db2.gz NURUDFCKTRXARJ-AWEZNQCLSA-N 1 0 397.972 4.030 20 0 GIADRO CCOc1cc(C[N@H+](C)C[C@H](O)c2ccc(F)c(F)c2)ccc1OC(F)F ZINC000051323815 822756045 /nfs/dbraw/zinc/75/60/45/822756045.db2.gz XZOYGZGTIBGICH-INIZCTEOSA-N 1 0 387.373 4.130 20 0 GIADRO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]Cc2ccc(Oc3ccccc3)nc2)cc1 ZINC000185265263 822756731 /nfs/dbraw/zinc/75/67/31/822756731.db2.gz XNOXFMYVWGKOEV-GOSISDBHSA-N 1 0 396.512 4.134 20 0 GIADRO C[C@@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)c1ccc(Cl)c(Cl)c1 ZINC000185271834 822757686 /nfs/dbraw/zinc/75/76/86/822757686.db2.gz IOAODTHJTPUIPI-GFCCVEGCSA-N 1 0 384.282 4.215 20 0 GIADRO COc1ccc2cc([C@H](C)[NH2+]Cc3cnc(N4CCOCC4)c(F)c3)ccc2c1 ZINC000185278871 822758579 /nfs/dbraw/zinc/75/85/79/822758579.db2.gz UPANOKRIPSCUHG-INIZCTEOSA-N 1 0 395.478 4.070 20 0 GIADRO COc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)cc1Br ZINC000185283797 822759528 /nfs/dbraw/zinc/75/95/28/822759528.db2.gz VYKCIZWWLAYGFS-UHFFFAOYSA-N 1 0 385.645 4.309 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@@H]2c3ccccc3CCC[C@@H]2C)ccc1S(C)(=O)=O ZINC000185286386 822759818 /nfs/dbraw/zinc/75/98/18/822759818.db2.gz DFWMCAWDGWEPCH-WCJKSRRJSA-N 1 0 387.545 4.463 20 0 GIADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000455975376 822760040 /nfs/dbraw/zinc/76/00/40/822760040.db2.gz UUPZFDQHROQUTE-LLVKDONJSA-N 1 0 388.737 4.297 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)c1cccc(C(F)(F)F)c1 ZINC000185293359 822760843 /nfs/dbraw/zinc/76/08/43/822760843.db2.gz IHNFAPHMPPVFOH-CQSZACIVSA-N 1 0 398.450 4.096 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)NCCSCc2cccc3ccccc32)CC[N@@H+]1C ZINC000174274468 822761096 /nfs/dbraw/zinc/76/10/96/822761096.db2.gz RVUGQYAAZWOOND-XLIONFOSSA-N 1 0 385.577 4.197 20 0 GIADRO Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000174275682 822761270 /nfs/dbraw/zinc/76/12/70/822761270.db2.gz BEKVANYTIWMWOD-NHCUHLMSSA-N 1 0 397.588 4.468 20 0 GIADRO O=S1(=O)CCCN1c1cccc(C[NH2+][C@@H](c2cccs2)C2CCCC2)c1 ZINC000185298454 822761610 /nfs/dbraw/zinc/76/16/10/822761610.db2.gz HNRYWMOEPZHMIC-HXUWFJFHSA-N 1 0 390.574 4.309 20 0 GIADRO Cc1ccc(C(=O)N(C)c2ccc(OCC[NH+]3CCCC3)cc2)c(C2CC2)n1 ZINC000455986940 822762125 /nfs/dbraw/zinc/76/21/25/822762125.db2.gz DXUHVBHDWGECDG-UHFFFAOYSA-N 1 0 379.504 4.019 20 0 GIADRO C[C@H]([NH2+]C[C@@](C)(O)c1cccc(Cl)c1)c1ncc(Br)s1 ZINC000185304201 822762492 /nfs/dbraw/zinc/76/24/92/822762492.db2.gz AMVIZFWAELEQDE-LKFCYVNXSA-N 1 0 375.719 4.117 20 0 GIADRO CC[C@H](NC(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1)c1nc(C(F)(F)F)cs1 ZINC000174284131 822762700 /nfs/dbraw/zinc/76/27/00/822762700.db2.gz ZZQNXVALRYCLTH-XQQFMLRXSA-N 1 0 392.491 4.033 20 0 GIADRO C[C@H]([NH2+]C[C@@](C)(O)c1cccc(Cl)c1)c1ccc(OCc2nccn2C)cc1 ZINC000185310632 822763675 /nfs/dbraw/zinc/76/36/75/822763675.db2.gz HHNWDTXVKHUPAO-KSFYIVLOSA-N 1 0 399.922 4.211 20 0 GIADRO CC(C)([C@H](NC(=O)[C@@H]1C[C@H]1c1cccnc1)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000455996147 822763715 /nfs/dbraw/zinc/76/37/15/822763715.db2.gz BCJXHWICBPVHRS-WAOWUJCRSA-N 1 0 399.485 4.195 20 0 GIADRO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000051531345 822764543 /nfs/dbraw/zinc/76/45/43/822764543.db2.gz XBRHMNCUWBHWFN-YCRNBWNJSA-N 1 0 380.532 4.006 20 0 GIADRO COc1ccc([C@H]([NH2+]C[C@H](C)Cc2ccc(OC)c(F)c2)c2nccn2C)cc1 ZINC000185316134 822764681 /nfs/dbraw/zinc/76/46/81/822764681.db2.gz ZVZKRXJNDBDMGD-ZHRRBRCNSA-N 1 0 397.494 4.134 20 0 GIADRO C[C@@H]1C[C@@H]1[C@H](NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1ccc(Cl)cc1 ZINC000174295728 822765869 /nfs/dbraw/zinc/76/58/69/822765869.db2.gz FKTQVPRRLNPOHY-YAJHFMINSA-N 1 0 375.944 4.164 20 0 GIADRO Cc1cnc([C@H]([NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)C2CC2)s1 ZINC000185329857 822766893 /nfs/dbraw/zinc/76/68/93/822766893.db2.gz QWCIHTVDIIUEKH-SWLSCSKDSA-N 1 0 387.332 4.239 20 0 GIADRO Cc1cnc([C@@H]([NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)C2CC2)s1 ZINC000185329875 822766902 /nfs/dbraw/zinc/76/69/02/822766902.db2.gz QWCIHTVDIIUEKH-WFASDCNBSA-N 1 0 387.332 4.239 20 0 GIADRO CC[NH+](CC)[C@H]1CCN(Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000174300871 822767001 /nfs/dbraw/zinc/76/70/01/822767001.db2.gz VOFFTWONFNNSPN-AWEZNQCLSA-N 1 0 378.314 4.020 20 0 GIADRO Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000174310983 822769193 /nfs/dbraw/zinc/76/91/93/822769193.db2.gz BMHHDDJYTMYUGH-QGZVFWFLSA-N 1 0 393.531 4.181 20 0 GIADRO COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)C2CC[NH+](C(C)C)CC2)cc1 ZINC000174311760 822769300 /nfs/dbraw/zinc/76/93/00/822769300.db2.gz FIWHTDWNHMLSOP-HSZRJFAPSA-N 1 0 398.522 4.355 20 0 GIADRO Cc1ncsc1C[NH2+]CCc1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 ZINC000174313087 822769509 /nfs/dbraw/zinc/76/95/09/822769509.db2.gz WEAYIMSVHROJPP-UHFFFAOYSA-N 1 0 395.528 4.110 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)Nc1cccc(CC(F)(F)F)c1 ZINC000174316276 822769865 /nfs/dbraw/zinc/76/98/65/822769865.db2.gz RRNLVMAEHFQNOI-INIZCTEOSA-N 1 0 381.398 4.343 20 0 GIADRO CC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC(F)F)c(F)c2)c2ccc(F)cc2C1 ZINC000185358131 822770887 /nfs/dbraw/zinc/77/08/87/822770887.db2.gz SBZXZMZEDXLGBT-SFHVURJKSA-N 1 0 396.384 4.149 20 0 GIADRO CCO[C@H](CCNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(C)C ZINC000174324763 822771043 /nfs/dbraw/zinc/77/10/43/822771043.db2.gz AREKBDWYTVXAQE-CEMLEFRQSA-N 1 0 389.584 4.132 20 0 GIADRO Cc1cccc2c(NCc3ccc(N4CCCS4(=O)=O)cc3)c(C)c[nH+]c12 ZINC000185374042 822774134 /nfs/dbraw/zinc/77/41/34/822774134.db2.gz VVIXQCRAHDSEIS-UHFFFAOYSA-N 1 0 381.501 4.004 20 0 GIADRO CCS[C@@H]1CC[C@H]([N@H+](C)Cc2nnc(-c3ccc(Br)o3)o2)C1 ZINC000174340120 822774414 /nfs/dbraw/zinc/77/44/14/822774414.db2.gz RHVAPBSUFYKAOD-WDEREUQCSA-N 1 0 386.315 4.198 20 0 GIADRO C[C@H](NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)c1ccc(-c2ccncc2)cc1 ZINC000174340784 822774726 /nfs/dbraw/zinc/77/47/26/822774726.db2.gz SIQKPVVEMNCODV-CVDCTZTESA-N 1 0 392.547 4.470 20 0 GIADRO C[C@H](NC(=O)N1CC[NH+](C2CCCC2)CC1)c1ccc(-c2ccncc2)cc1 ZINC000174341534 822775096 /nfs/dbraw/zinc/77/50/96/822775096.db2.gz HWZBYFJZJWSIBO-SFHVURJKSA-N 1 0 378.520 4.079 20 0 GIADRO CC(C)[NH+](CCCNC(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1)C(C)C ZINC000174353867 822776846 /nfs/dbraw/zinc/77/68/46/822776846.db2.gz ICSYGJRNMSBTAG-GOSISDBHSA-N 1 0 386.540 4.226 20 0 GIADRO Cc1cc(C[NH2+]CC2(c3ccccc3Cl)CCOCC2)ccc1-n1cncn1 ZINC000174364046 822778332 /nfs/dbraw/zinc/77/83/32/822778332.db2.gz NLMNRGYYCWTACS-UHFFFAOYSA-N 1 0 396.922 4.067 20 0 GIADRO CC(C)C(=O)Nc1ccc(C(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)cc1 ZINC000174369027 822779233 /nfs/dbraw/zinc/77/92/33/822779233.db2.gz QFMSCMKKEZPQQO-UHFFFAOYSA-N 1 0 392.503 4.050 20 0 GIADRO Cc1nc(-c2ccccc2)oc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000174375591 822780307 /nfs/dbraw/zinc/78/03/07/822780307.db2.gz KKLSJTOTQDHJOU-UHFFFAOYSA-N 1 0 375.472 4.044 20 0 GIADRO CC[C@H](NC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1)c1nc(C(F)(F)F)cs1 ZINC000174386237 822781780 /nfs/dbraw/zinc/78/17/80/822781780.db2.gz BVBFBDHCYWJEHL-OLZOCXBDSA-N 1 0 392.491 4.033 20 0 GIADRO C[C@H](CCOc1ccccc1)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000174389782 822782324 /nfs/dbraw/zinc/78/23/24/822782324.db2.gz OFRYZVVWJZADAB-OPYAIIAOSA-N 1 0 386.561 4.352 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(Cl)cc1F ZINC000174393464 822783154 /nfs/dbraw/zinc/78/31/54/822783154.db2.gz DBOFGCASFFQTIA-MRXNPFEDSA-N 1 0 375.875 4.465 20 0 GIADRO CC(C)Oc1cc(Br)cc(C(=O)NC(C)(C)CCC[NH+](C)C)c1 ZINC000456165148 822785568 /nfs/dbraw/zinc/78/55/68/822785568.db2.gz HXEPZFXYBCECHT-UHFFFAOYSA-N 1 0 385.346 4.087 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1cc(Br)cc(F)c1[O-] ZINC000185459509 822786994 /nfs/dbraw/zinc/78/69/94/822786994.db2.gz DISAOGDZAZZBNF-NSHDSACASA-N 1 0 399.279 4.345 20 0 GIADRO C[C@@H](Sc1ccc(Br)cc1)C(=O)NC(C)(C)CCC[NH+](C)C ZINC000456199874 822787772 /nfs/dbraw/zinc/78/77/72/822787772.db2.gz KXXDPHQTHZPGTB-CYBMUJFWSA-N 1 0 387.387 4.166 20 0 GIADRO CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1 ZINC000174418467 822787400 /nfs/dbraw/zinc/78/74/00/822787400.db2.gz JNKHWGVZYKLYTD-CVEARBPZSA-N 1 0 392.544 4.124 20 0 GIADRO CC[NH+](CC)C1CCN(CC(=O)N[C@H](c2cccs2)c2ccc(C)cc2)CC1 ZINC000052049716 822788999 /nfs/dbraw/zinc/78/89/99/822788999.db2.gz IBIQKDZYINEQMY-QHCPKHFHSA-N 1 0 399.604 4.068 20 0 GIADRO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)CC1CCC(C(F)(F)F)CC1 ZINC000185489514 822790155 /nfs/dbraw/zinc/79/01/55/822790155.db2.gz BFUBBLNRTQKVDG-UHFFFAOYSA-N 1 0 399.457 4.274 20 0 GIADRO CC(C)(C)[N@@H+]1CCCN(Cn2nc(-c3ccccc3Cl)oc2=S)CC1 ZINC000052087405 822790345 /nfs/dbraw/zinc/79/03/45/822790345.db2.gz NDHHHSRLJUMZMJ-UHFFFAOYSA-N 1 0 380.945 4.290 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)Cc3cscc3Br)ccc21 ZINC000456254100 822790485 /nfs/dbraw/zinc/79/04/85/822790485.db2.gz ALGDSJCPHKFMGK-INIZCTEOSA-N 1 0 379.323 4.241 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)c3ccc(OCC(F)(F)F)cc3)ccc21 ZINC000456256615 822790692 /nfs/dbraw/zinc/79/06/92/822790692.db2.gz CQTKKVPLJBGKER-GOSISDBHSA-N 1 0 378.394 4.429 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)c3ccc(CNC(=O)C(C)(C)C)cc3)ccc21 ZINC000456259160 822790993 /nfs/dbraw/zinc/79/09/93/822790993.db2.gz FBVWZOQXXKZIDK-NRFANRHFSA-N 1 0 393.531 4.150 20 0 GIADRO CC1CCN(C(=O)C2CC[NH+](CCOc3ccc(Cl)cc3Cl)CC2)CC1 ZINC000052157828 822791798 /nfs/dbraw/zinc/79/17/98/822791798.db2.gz CFGOFHAXEOZWMM-UHFFFAOYSA-N 1 0 399.362 4.343 20 0 GIADRO Cc1c(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000456268246 822792005 /nfs/dbraw/zinc/79/20/05/822792005.db2.gz JCMHSUDBHZWLLD-SFHVURJKSA-N 1 0 379.504 4.279 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)CCCc3nnc(-c4ccccc4)o3)ccc21 ZINC000456273558 822792505 /nfs/dbraw/zinc/79/25/05/822792505.db2.gz LXUPALVKNXKHLO-HXUWFJFHSA-N 1 0 390.487 4.247 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000456275986 822792839 /nfs/dbraw/zinc/79/28/39/822792839.db2.gz NSPMRDYBFYVWLF-HSZRJFAPSA-N 1 0 388.515 4.219 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)C3CCC(NC(=O)C4CCCC4)CC3)ccc21 ZINC000456275159 822792868 /nfs/dbraw/zinc/79/28/68/822792868.db2.gz MVGWLLPQMSDAIB-FQVRHNBASA-N 1 0 397.563 4.039 20 0 GIADRO COc1ccc(-c2noc(C[N@@H+]3CCC[C@@H]3c3ccccc3C)n2)c(OC)c1 ZINC000052212894 822793241 /nfs/dbraw/zinc/79/32/41/822793241.db2.gz FTKQQYIXYYVHDC-LJQANCHMSA-N 1 0 379.460 4.399 20 0 GIADRO Cc1oc(-c2cccs2)nc1CC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000456278219 822793202 /nfs/dbraw/zinc/79/32/02/822793202.db2.gz OZTOBBBCMPHHQK-SFHVURJKSA-N 1 0 381.501 4.442 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)c3c(F)cccc3Br)ccc21 ZINC000456278188 822793257 /nfs/dbraw/zinc/79/32/57/822793257.db2.gz OZAHMOPZSRTHPG-INIZCTEOSA-N 1 0 377.257 4.389 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)c3c(F)cccc3Br)ccc21 ZINC000456278189 822793279 /nfs/dbraw/zinc/79/32/79/822793279.db2.gz OZAHMOPZSRTHPG-MRXNPFEDSA-N 1 0 377.257 4.389 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)c3ccc(OC4CCOCC4)cc3)ccc21 ZINC000456281347 822793623 /nfs/dbraw/zinc/79/36/23/822793623.db2.gz QYSMXIDWNMSQSN-JOCHJYFZSA-N 1 0 380.488 4.046 20 0 GIADRO CC(=O)N[C@H](CC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)c1ccc(Cl)cc1 ZINC000456283513 822794022 /nfs/dbraw/zinc/79/40/22/822794022.db2.gz STGNPULSCRICAS-NHCUHLMSSA-N 1 0 399.922 4.095 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)c3cnn(C(C)(C)C)c3C(F)(F)F)ccc21 ZINC000456286506 822794316 /nfs/dbraw/zinc/79/43/16/822794316.db2.gz VQSPXHCSJSLJGV-INIZCTEOSA-N 1 0 394.441 4.458 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[C@@H]1COc2ccccc21 ZINC000185544196 822795212 /nfs/dbraw/zinc/79/52/12/822795212.db2.gz BKGCRLJIBLUZFK-RISCZKNCSA-N 1 0 398.812 4.452 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)/C(=C/c2ccccc2OC)c2ccccc2)C1 ZINC000174498786 822797193 /nfs/dbraw/zinc/79/71/93/822797193.db2.gz IWKLXTZCIBPZEP-QZMYASAMSA-N 1 0 378.516 4.036 20 0 GIADRO C[C@H](C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cn(C)c2ccccc12 ZINC000185569824 822797490 /nfs/dbraw/zinc/79/74/90/822797490.db2.gz GAZVYBDXDXVDLK-FPOVZHCZSA-N 1 0 389.543 4.262 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(SCc3csc(C)n3)cc2)C1 ZINC000174509206 822798750 /nfs/dbraw/zinc/79/87/50/822798750.db2.gz DZPUJIBKGPGTBK-MRXNPFEDSA-N 1 0 389.590 4.158 20 0 GIADRO C[NH+](C)Cc1cccc(C(=O)N(CCc2ccccn2)Cc2ccc(F)cc2)c1 ZINC000174510395 822799044 /nfs/dbraw/zinc/79/90/44/822799044.db2.gz NBDBGCQSVLQAIR-UHFFFAOYSA-N 1 0 391.490 4.167 20 0 GIADRO CC[C@@H](NC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1)c1ccncc1 ZINC000174512034 822799333 /nfs/dbraw/zinc/79/93/33/822799333.db2.gz PHFYKCVPCXSNMM-RTBURBONSA-N 1 0 386.565 4.367 20 0 GIADRO Cc1nc(CNC(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)sc1C ZINC000174512261 822799344 /nfs/dbraw/zinc/79/93/44/822799344.db2.gz FWMQLZDNCTUZHT-MRXNPFEDSA-N 1 0 392.594 4.094 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000174512819 822799378 /nfs/dbraw/zinc/79/93/78/822799378.db2.gz RWGANWMBKZRTGH-CYBMUJFWSA-N 1 0 397.466 4.243 20 0 GIADRO C[C@H]1CN(C(=O)c2ncoc2-c2ccc(F)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000456333269 822799386 /nfs/dbraw/zinc/79/93/86/822799386.db2.gz LJLMFOLXVYGEQN-QGZVFWFLSA-N 1 0 393.462 4.075 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)COc2ccc(-c3ccccc3)cc2Cl)C1 ZINC000174517978 822799956 /nfs/dbraw/zinc/79/99/56/822799956.db2.gz DLSCECQDZOALPJ-QGZVFWFLSA-N 1 0 386.923 4.186 20 0 GIADRO CCn1ccnc1[C@H](C)NC(=O)[C@H](c1cccc(C(F)(F)F)c1)[NH+](CC)CC ZINC000456339340 822800011 /nfs/dbraw/zinc/80/00/11/822800011.db2.gz CACVJVCNGPFTQB-YOEHRIQHSA-N 1 0 396.457 4.182 20 0 GIADRO CC(C)Cn1cc(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)c(C(F)F)n1 ZINC000456338285 822800033 /nfs/dbraw/zinc/80/00/33/822800033.db2.gz XEKVBQZOBWBPIH-KRWDZBQOSA-N 1 0 376.451 4.278 20 0 GIADRO CCc1nsc(N2CCC[N@H+](Cc3ccccc3Oc3cccnc3)CC2)n1 ZINC000174520777 822800222 /nfs/dbraw/zinc/80/02/22/822800222.db2.gz JBNOALPXCMLRDG-UHFFFAOYSA-N 1 0 395.532 4.000 20 0 GIADRO COc1ccc(N2CCC[N@@H+]([C@@H](C)c3nc(-c4ccccc4)no3)CC2)cc1 ZINC000052466458 822800761 /nfs/dbraw/zinc/80/07/61/822800761.db2.gz VGVNAQZSUAWIJC-KRWDZBQOSA-N 1 0 378.476 4.019 20 0 GIADRO C[C@@H](CC(=O)c1ccccc1F)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000456349122 822800903 /nfs/dbraw/zinc/80/09/03/822800903.db2.gz VPQKYTREQACUFP-OALUTQOASA-N 1 0 396.506 4.015 20 0 GIADRO C[C@@H]1CN(C(=O)c2cccn2Cc2cccs2)CC[N@H+](Cc2ccccc2)C1 ZINC000456348404 822800986 /nfs/dbraw/zinc/80/09/86/822800986.db2.gz VHAZEWOTTMVINJ-IBGZPJMESA-N 1 0 393.556 4.192 20 0 GIADRO CCCC[NH+]1CCC(NC(=O)NC[C@H]2CCCO[C@@H]2c2ccc(C)cc2)CC1 ZINC000174526640 822801201 /nfs/dbraw/zinc/80/12/01/822801201.db2.gz UVUAOXQFBPDJCJ-IFMALSPDSA-N 1 0 387.568 4.026 20 0 GIADRO O=C(C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1)NC[C@H]1CCN(c2ccccc2)C1 ZINC000052515726 822802255 /nfs/dbraw/zinc/80/22/55/822802255.db2.gz XDRDAYPXHSJLKK-UZUQRXQVSA-N 1 0 397.950 4.023 20 0 GIADRO CCOCc1ccc(CNC(=O)C[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)cc1 ZINC000052515329 822802262 /nfs/dbraw/zinc/80/22/62/822802262.db2.gz MARDQKKYSXFENH-QFIPXVFZSA-N 1 0 386.923 4.234 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C[C@@H](C)C(=O)c1cccc(F)c1 ZINC000174541488 822803045 /nfs/dbraw/zinc/80/30/45/822803045.db2.gz JINKZYUAZMJJJU-QGZVFWFLSA-N 1 0 384.495 4.145 20 0 GIADRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)c1ccc(F)c(Cl)c1F ZINC000185619882 822803182 /nfs/dbraw/zinc/80/31/82/822803182.db2.gz HBEZRQFHPCSIDY-UHFFFAOYSA-N 1 0 378.850 4.055 20 0 GIADRO O=C(/C=C/c1ccc2ccc(Cl)cc2n1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174547777 822803687 /nfs/dbraw/zinc/80/36/87/822803687.db2.gz VFELVLBUVKHYEP-KBOKABMXSA-N 1 0 383.923 4.236 20 0 GIADRO CC1CC[NH+]([C@@H](CNC(=O)N(C)Cc2cccc(O)c2)c2ccccc2)CC1 ZINC000052582077 822804375 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CCOc1ccc(Oc2ccccc2NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)cc1 ZINC000174565972 822805636 /nfs/dbraw/zinc/80/56/36/822805636.db2.gz BFYFQJGCVRRITC-SFHVURJKSA-N 1 0 393.487 4.356 20 0 GIADRO CCOc1ccccc1NC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000052635925 822805788 /nfs/dbraw/zinc/80/57/88/822805788.db2.gz ADWYWZWVMRNPSS-FQEVSTJZSA-N 1 0 383.492 4.053 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1cc(C)cc(C)c1 ZINC000185646023 822806221 /nfs/dbraw/zinc/80/62/21/822806221.db2.gz CZDPKAFBHKVTLN-UKRRQHHQSA-N 1 0 396.457 4.357 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2c(F)cccc2F)cc1OCC ZINC000052659691 822806485 /nfs/dbraw/zinc/80/64/85/822806485.db2.gz JLRVEXPPOWYMSW-ZIAGYGMSSA-N 1 0 392.446 4.440 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2c(F)cccc2F)cc1OCC ZINC000052659689 822806560 /nfs/dbraw/zinc/80/65/60/822806560.db2.gz JLRVEXPPOWYMSW-KGLIPLIRSA-N 1 0 392.446 4.440 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cc(F)ccc2F)cc1OCC ZINC000052659685 822806574 /nfs/dbraw/zinc/80/65/74/822806574.db2.gz YDEVIBNLFIURCO-KGLIPLIRSA-N 1 0 392.446 4.440 20 0 GIADRO CC[NH+]1CCN(c2ccc(C(=O)Nc3scnc3-c3ccccc3)cc2)CC1 ZINC000174574889 822807092 /nfs/dbraw/zinc/80/70/92/822807092.db2.gz FONXXAOMFLAIEP-UHFFFAOYSA-N 1 0 392.528 4.204 20 0 GIADRO CCCOc1ccccc1NC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174579892 822807678 /nfs/dbraw/zinc/80/76/78/822807678.db2.gz WUEPWCGUGYXKLE-FQEVSTJZSA-N 1 0 381.520 4.461 20 0 GIADRO C[C@@H](NCC(=O)N(Cc1ccccc1)C(C)(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185663411 822808205 /nfs/dbraw/zinc/80/82/05/822808205.db2.gz PLGIATJFHKNLQM-CTNGQTDRSA-N 1 0 385.596 4.056 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)CCc2ncc(C(C)(C)C)o2)CC1 ZINC000185671070 822808583 /nfs/dbraw/zinc/80/85/83/822808583.db2.gz VIABRYOCWBVNNY-KRWDZBQOSA-N 1 0 383.536 4.247 20 0 GIADRO FC(F)(F)c1cccc(C2([NH2+]Cc3cnc(N4CCOCC4)s3)CCC2)c1 ZINC000174586970 822808598 /nfs/dbraw/zinc/80/85/98/822808598.db2.gz CWCUAHXHUKCJOA-UHFFFAOYSA-N 1 0 397.466 4.168 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)NCc2ccc(-c3csc(C)n3)cc2)o1 ZINC000052736653 822808930 /nfs/dbraw/zinc/80/89/30/822808930.db2.gz KKOIMCVUZNPFKI-UHFFFAOYSA-N 1 0 383.517 4.483 20 0 GIADRO C[C@H](N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(=O)Nc1ccccc1C(F)(F)F ZINC000185677981 822809159 /nfs/dbraw/zinc/80/91/59/822809159.db2.gz URZOVTGVGAFFBK-JYJNAYRXSA-N 1 0 397.485 4.275 20 0 GIADRO Cc1ccccc1C(=O)NC1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000052747575 822809308 /nfs/dbraw/zinc/80/93/08/822809308.db2.gz GFLJSEZDIDSGGV-UHFFFAOYSA-N 1 0 392.421 4.288 20 0 GIADRO Cc1cc(CSc2ccccc2C(=O)NCc2ccccc2C[NH+](C)C)on1 ZINC000052770208 822809933 /nfs/dbraw/zinc/80/99/33/822809933.db2.gz PEYZAQAODZQJDR-UHFFFAOYSA-N 1 0 395.528 4.267 20 0 GIADRO C[C@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)[N@H+](C)CCCc1ccccc1 ZINC000052802897 822810920 /nfs/dbraw/zinc/81/09/20/822810920.db2.gz HQUNMABAWXSIRN-LLVKDONJSA-N 1 0 386.364 4.274 20 0 GIADRO CCCOc1ccc(C[NH2+]C2CCC(O)(c3cccnc3)CC2)cc1OCC ZINC000185698076 822811121 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385.939 4.046 20 0 GIADRO Cc1cc(C)c(NC(=O)CN[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(Cl)c1 ZINC000185710677 822812723 /nfs/dbraw/zinc/81/27/23/822812723.db2.gz HYFUIJISXNUJCA-DLBZAZTESA-N 1 0 377.960 4.138 20 0 GIADRO CC[N@H+](CCC(=O)Nc1cc(Cl)ccc1OC)[C@H](C)c1cccc(O)c1 ZINC000174615776 822813016 /nfs/dbraw/zinc/81/30/16/822813016.db2.gz LCTOGQJYGMXLQR-CQSZACIVSA-N 1 0 376.884 4.466 20 0 GIADRO CCC[C@H](NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000174617635 822813055 /nfs/dbraw/zinc/81/30/55/822813055.db2.gz NMWGTDYTNJUVOB-MSOLQXFVSA-N 1 0 381.442 4.202 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCN(c2ncccc2Cl)C1)c1cc(Br)ccc1O ZINC000185717806 822813811 /nfs/dbraw/zinc/81/38/11/822813811.db2.gz GPPWKXUAWAAZGX-DGCLKSJQSA-N 1 0 396.716 4.133 20 0 GIADRO C[C@@H]1CC[C@H]([NH2+][C@@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)c(F)c2)C1 ZINC000174622915 822813860 /nfs/dbraw/zinc/81/38/60/822813860.db2.gz VGJNRZCGTXRCFM-PSGMQZRDSA-N 1 0 379.472 4.236 20 0 GIADRO COc1ccccc1[C@H](C[NH2+]Cc1cn(C)nc1-c1cccs1)OC(C)C ZINC000185722052 822814367 /nfs/dbraw/zinc/81/43/67/822814367.db2.gz BNFPPUKAYKTKIS-IBGZPJMESA-N 1 0 385.533 4.413 20 0 GIADRO C[C@@H](N[C@@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185722666 822814429 /nfs/dbraw/zinc/81/44/29/822814429.db2.gz QXZDEHOIYQIBEP-PMPSAXMXSA-N 1 0 397.485 4.275 20 0 GIADRO COc1ccc(C[N@H+](C)CCC(=O)Nc2cc(Cl)ccc2Cl)cc1O ZINC000174631258 822814615 /nfs/dbraw/zinc/81/46/15/822814615.db2.gz KRVJSIPTMMHJMG-UHFFFAOYSA-N 1 0 383.275 4.168 20 0 GIADRO C[C@H](N[C@@H]1CCCN(c2ccccc2Cl)C1=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185725345 822814875 /nfs/dbraw/zinc/81/48/75/822814875.db2.gz KXCTXDWZOWUSNA-ABSDTBQOSA-N 1 0 389.971 4.078 20 0 GIADRO O=C([C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000456552213 822815320 /nfs/dbraw/zinc/81/53/20/822815320.db2.gz DOGNSODQDMPEFJ-RXVVDRJESA-N 1 0 382.479 4.385 20 0 GIADRO CS(=O)(=O)c1cccc([C@@H]([NH2+]C2CCSCC2)c2ccc(Cl)cc2)c1 ZINC000174635734 822815602 /nfs/dbraw/zinc/81/56/02/822815602.db2.gz BMGUFSQULIRMMX-IBGZPJMESA-N 1 0 395.977 4.318 20 0 GIADRO C[C@@H](C(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(F)(F)F)[N@H+](C)Cc1ccccc1 ZINC000456568717 822816938 /nfs/dbraw/zinc/81/69/38/822816938.db2.gz GKAPBUOVDWDGGG-AEGPPILISA-N 1 0 396.375 4.239 20 0 GIADRO COc1ccc(C[NH2+]C2(c3cccc(F)c3)CCOCC2)c(Cl)c1OC ZINC000174645614 822816999 /nfs/dbraw/zinc/81/69/99/822816999.db2.gz UJFSPPMOYOIMFZ-UHFFFAOYSA-N 1 0 379.859 4.292 20 0 GIADRO COc1cc(C[NH2+]C2(c3cccc(F)c3)CCOCC2)c(SC)cc1OC ZINC000174645866 822817174 /nfs/dbraw/zinc/81/71/74/822817174.db2.gz GYCSINUHVWKMSZ-UHFFFAOYSA-N 1 0 391.508 4.360 20 0 GIADRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)CCCc1nnc(-c2ccccc2)o1 ZINC000185750767 822817722 /nfs/dbraw/zinc/81/77/22/822817722.db2.gz LRUWMGXNFJRSOH-UHFFFAOYSA-N 1 0 398.551 4.220 20 0 GIADRO C[C@@H](NCC(=O)Nc1c(Cl)cccc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185751920 822817751 /nfs/dbraw/zinc/81/77/51/822817751.db2.gz UGFOIUUYCMUXQO-ZIAGYGMSSA-N 1 0 384.351 4.175 20 0 GIADRO COc1ccc([C@@H]([NH2+]C2CCC(C)CC2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000174650189 822817753 /nfs/dbraw/zinc/81/77/53/822817753.db2.gz CJFGDLFXSSMBAG-ORWMALAUSA-N 1 0 387.545 4.356 20 0 GIADRO CN(Cc1ccccc1)C(=O)C[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000052993532 822817805 /nfs/dbraw/zinc/81/78/05/822817805.db2.gz DKFBDOFFRDPFLV-UHFFFAOYSA-N 1 0 397.906 4.319 20 0 GIADRO CCC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000052993758 822817978 /nfs/dbraw/zinc/81/79/78/822817978.db2.gz DABSVRSAOLPZPU-ZIAGYGMSSA-N 1 0 377.916 4.354 20 0 GIADRO CCCc1c(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)[nH]c(C)c1C(C)=O ZINC000053016753 822818738 /nfs/dbraw/zinc/81/87/38/822818738.db2.gz MSINXNUGALRACL-UHFFFAOYSA-N 1 0 383.536 4.248 20 0 GIADRO C[C@H](NCC(=O)Nc1ccc(Cl)cc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185765245 822819043 /nfs/dbraw/zinc/81/90/43/822819043.db2.gz UGPCVDNQWLNSNO-KBPBESRZSA-N 1 0 384.351 4.175 20 0 GIADRO C[C@H]([NH2+]CCC1CCN(C(=O)OC(C)(C)C)CC1)c1nc(C(C)(C)C)no1 ZINC000174660106 822819899 /nfs/dbraw/zinc/81/98/99/822819899.db2.gz BESHCROLMSCWCW-AWEZNQCLSA-N 1 0 380.533 4.055 20 0 GIADRO C[C@@H]([NH2+]CCC1CCN(C(=O)OC(C)(C)C)CC1)c1nc(C(C)(C)C)no1 ZINC000174660120 822819910 /nfs/dbraw/zinc/81/99/10/822819910.db2.gz BESHCROLMSCWCW-CQSZACIVSA-N 1 0 380.533 4.055 20 0 GIADRO CCC[N@H+](CC)CCNC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 ZINC000174660275 822819927 /nfs/dbraw/zinc/81/99/27/822819927.db2.gz BFFKQNDCMLIOEP-UHFFFAOYSA-N 1 0 398.334 4.429 20 0 GIADRO Cc1ccc(OCc2ccc(C(=O)N3CCC(C[NH+]4CCCC4)CC3)o2)c(C)c1 ZINC000053058905 822820316 /nfs/dbraw/zinc/82/03/16/822820316.db2.gz MCRHBXWYSOZDAR-UHFFFAOYSA-N 1 0 396.531 4.423 20 0 GIADRO C[N@H+](CCCCc1ccccc1)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000053084046 822820830 /nfs/dbraw/zinc/82/08/30/822820830.db2.gz HSTZQCIMNVPMQZ-FQEVSTJZSA-N 1 0 384.483 4.178 20 0 GIADRO C[NH+](C)CCCOc1cccc(NC(=O)c2ncoc2-c2ccc(F)cc2)c1 ZINC000185789493 822821478 /nfs/dbraw/zinc/82/14/78/822821478.db2.gz SWOZMGFOWWGXSC-UHFFFAOYSA-N 1 0 383.423 4.064 20 0 GIADRO COc1ccccc1NC(=O)C[NH2+][C@@H](C)[C@@H](C)c1ccccc1C(F)(F)F ZINC000185799260 822822113 /nfs/dbraw/zinc/82/21/13/822822113.db2.gz DXJCUEYDLHBRNK-KGLIPLIRSA-N 1 0 380.410 4.434 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)F)(C3)C2 ZINC000456685658 822822559 /nfs/dbraw/zinc/82/25/59/822822559.db2.gz QXIKRGVTUAHCEM-JNKARSBBSA-N 1 0 384.486 4.268 20 0 GIADRO CC(C)[NH+]1CCC(N(C)C(=O)CCSc2ccc(Br)cc2)CC1 ZINC000053138529 822823295 /nfs/dbraw/zinc/82/32/95/822823295.db2.gz AGILWYOONZBYNO-UHFFFAOYSA-N 1 0 399.398 4.263 20 0 GIADRO O=C(CCCOc1ccc(Cl)cc1Cl)NC1CC[NH+](C2CCC2)CC1 ZINC000456694056 822823491 /nfs/dbraw/zinc/82/34/91/822823491.db2.gz HLWLTQMRCWQXIY-UHFFFAOYSA-N 1 0 385.335 4.286 20 0 GIADRO CC(C)[NH+]1CCC(C(=O)N[C@@H](c2ccccc2)c2ccc3c(c2)CCCO3)CC1 ZINC000174689658 822823725 /nfs/dbraw/zinc/82/37/25/822823725.db2.gz UWOGEWYITBZAEY-DEOSSOPVSA-N 1 0 392.543 4.338 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNc2ncccc2C(=O)N2CCCCC2)c1 ZINC000174690988 822823940 /nfs/dbraw/zinc/82/39/40/822823940.db2.gz LFURIIIEDDIZIJ-UHFFFAOYSA-N 1 0 380.536 4.162 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)N[C@@H](c1nc(C)cs1)C1CC1)c1ccccc1 ZINC000174691294 822823957 /nfs/dbraw/zinc/82/39/57/822823957.db2.gz OKSWTOTXWNLQQG-RTBURBONSA-N 1 0 386.565 4.285 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)N[C@H](c1ncc(C)s1)C1CC1)c1ccccc1 ZINC000174691829 822824081 /nfs/dbraw/zinc/82/40/81/822824081.db2.gz FMDJQUCGCNQMHG-MOPGFXCFSA-N 1 0 386.565 4.285 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(C(F)(F)F)cc1 ZINC000185820081 822824204 /nfs/dbraw/zinc/82/42/04/822824204.db2.gz KZYOXBJPOSAJMA-AWEZNQCLSA-N 1 0 398.450 4.096 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(C(C)(C)C)cc1 ZINC000185822007 822824446 /nfs/dbraw/zinc/82/44/46/822824446.db2.gz IDQHYAQQOQJGGP-KRWDZBQOSA-N 1 0 386.561 4.375 20 0 GIADRO CC[C@H](NC(=O)N1CC[N@H+](Cc2ccccc2)[C@H](CC)C1)c1c(C)noc1C ZINC000185828075 822825015 /nfs/dbraw/zinc/82/50/15/822825015.db2.gz WWGCXHNHRTVYCB-UXHICEINSA-N 1 0 384.524 4.049 20 0 GIADRO O=C(c1cccnc1NCC1CC[NH+](Cc2ccccc2)CC1)N1CCCCC1 ZINC000174699591 822825235 /nfs/dbraw/zinc/82/52/35/822825235.db2.gz ACZYCZBMPZHWDS-UHFFFAOYSA-N 1 0 392.547 4.032 20 0 GIADRO C[C@H](Sc1ccc(Br)cc1)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000456707259 822825346 /nfs/dbraw/zinc/82/53/46/822825346.db2.gz WMCKQKWGPGOQDS-ZDUSSCGKSA-N 1 0 397.382 4.063 20 0 GIADRO CCn1cc(C(=O)Nc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)c2ccccc21 ZINC000185849307 822827065 /nfs/dbraw/zinc/82/70/65/822827065.db2.gz QFEQEOHKZBNYKE-UHFFFAOYSA-N 1 0 392.503 4.112 20 0 GIADRO COc1ccc([C@H](CNC(=O)N(C)[C@H](C)c2ccc(F)cc2)[NH+]2CCCC2)cc1 ZINC000053235540 822827414 /nfs/dbraw/zinc/82/74/14/822827414.db2.gz YKDQSSJQNTWXOU-VGSWGCGISA-N 1 0 399.510 4.374 20 0 GIADRO O=S1(=O)CCCN1c1ccc(C[NH2+]Cc2cc(-c3ccccc3)cs2)cc1 ZINC000185858938 822827910 /nfs/dbraw/zinc/82/79/10/822827910.db2.gz IJOIYKNIGPCGBR-UHFFFAOYSA-N 1 0 398.553 4.245 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)Nc2cccc(C3SCCS3)c2)CC1 ZINC000174719291 822828169 /nfs/dbraw/zinc/82/81/69/822828169.db2.gz CXCZGVHDFPNAFS-UHFFFAOYSA-N 1 0 379.595 4.409 20 0 GIADRO CC(C)c1noc(-c2ccnc(NCc3ccc(OCCC[NH+](C)C)cc3)c2)n1 ZINC000174727317 822829064 /nfs/dbraw/zinc/82/90/64/822829064.db2.gz UWWSTRZRXKMUQC-UHFFFAOYSA-N 1 0 395.507 4.198 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)c2cc(F)ccc2F)CC1 ZINC000456774054 822830093 /nfs/dbraw/zinc/83/00/93/822830093.db2.gz BXMVTYKOMRGBHG-UHFFFAOYSA-N 1 0 380.822 4.344 20 0 GIADRO CC(C)[NH+]1CCC(C(=O)NC[C@H](C)Sc2ccc(Br)cc2)CC1 ZINC000174741749 822831127 /nfs/dbraw/zinc/83/11/27/822831127.db2.gz BUZFMTBGZKGGKT-AWEZNQCLSA-N 1 0 399.398 4.166 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)[C@H]2CCc3ccccc32)CC1 ZINC000456790834 822831381 /nfs/dbraw/zinc/83/13/81/822831381.db2.gz MDNIYADONPQNGK-IBGZPJMESA-N 1 0 384.907 4.482 20 0 GIADRO Cc1cc(C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)nn1C(C)C ZINC000456791611 822831400 /nfs/dbraw/zinc/83/14/00/822831400.db2.gz NEWNBZIADCSRQL-UHFFFAOYSA-N 1 0 390.915 4.151 20 0 GIADRO CC[NH+](CC)CCSCC(=O)N[C@H](C)c1sc(-c2ccccc2)nc1C ZINC000174744956 822831520 /nfs/dbraw/zinc/83/15/20/822831520.db2.gz URKLDTXEJFEEPU-OAHLLOKOSA-N 1 0 391.606 4.371 20 0 GIADRO COc1ccccc1C[C@H]([NH2+]CC(=O)Nc1ccccc1OC(F)F)C(C)C ZINC000185902187 822831692 /nfs/dbraw/zinc/83/16/92/822831692.db2.gz RVEVRQSUTXJRRS-KRWDZBQOSA-N 1 0 392.446 4.092 20 0 GIADRO Cc1cc2c(cc1C)[C@@H](C(=O)NC1CC[NH+]([C@H](C)c3ccccc3)CC1)CO2 ZINC000185905552 822832091 /nfs/dbraw/zinc/83/20/91/822832091.db2.gz WSHWPLOMWURLKT-GCJKJVERSA-N 1 0 378.516 4.121 20 0 GIADRO Cc1ccc(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc1NC(=O)c1ccco1 ZINC000053404196 822833365 /nfs/dbraw/zinc/83/33/65/822833365.db2.gz JYPFRBOFBCPRBU-MRXNPFEDSA-N 1 0 397.519 4.081 20 0 GIADRO CSc1nc(C2CC2)nc(C)c1C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000174767685 822834594 /nfs/dbraw/zinc/83/45/94/822834594.db2.gz UMOURGQUDNAEBO-UHFFFAOYSA-N 1 0 398.576 4.155 20 0 GIADRO COc1ccc2oc([C@H](C)NC(=O)N(C)CC[C@H]3CCCC[N@@H+]3C)c(C)c2c1 ZINC000174779996 822835947 /nfs/dbraw/zinc/83/59/47/822835947.db2.gz DTUUBAPFXKQPMB-DLBZAZTESA-N 1 0 387.524 4.327 20 0 GIADRO Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)NCc2ccc(C[NH+](C)C)cc2)cc1 ZINC000174781847 822836403 /nfs/dbraw/zinc/83/64/03/822836403.db2.gz MSJKGVAHCYRRDK-DHIUTWEWSA-N 1 0 395.547 4.024 20 0 GIADRO CC(C)[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)Nc1cccc(OCc3cccnc3)c1)C2 ZINC000174784224 822836640 /nfs/dbraw/zinc/83/66/40/822836640.db2.gz XTBBTPDZSPCJTE-LEWJYISDSA-N 1 0 394.519 4.140 20 0 GIADRO CN(Cc1nc2ccccc2s1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000053513730 822838165 /nfs/dbraw/zinc/83/81/65/822838165.db2.gz COSPNNWEQKVBLT-UHFFFAOYSA-N 1 0 394.544 4.102 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000174797425 822838405 /nfs/dbraw/zinc/83/84/05/822838405.db2.gz GXCUUZWXDUOHGP-UHOSZYNNSA-N 1 0 398.576 4.366 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1ccc(Cl)s1 ZINC000174800917 822839033 /nfs/dbraw/zinc/83/90/33/822839033.db2.gz JQNXVRIHIPXXNT-QGZVFWFLSA-N 1 0 391.968 4.455 20 0 GIADRO C[C@H](NC(=O)NC[C@H](c1cccs1)[NH+](C)C)c1ccc(Br)cc1 ZINC000053528702 822839306 /nfs/dbraw/zinc/83/93/06/822839306.db2.gz QCPDVWYSIQDFJJ-SWLSCSKDSA-N 1 0 396.354 4.174 20 0 GIADRO CCC[C@@H]([NH2+]Cc1cc(Br)c(OC)c(OC)c1)c1cccnc1 ZINC000185977795 822840211 /nfs/dbraw/zinc/84/02/11/822840211.db2.gz SQRNHAIAHZOITI-MRXNPFEDSA-N 1 0 379.298 4.492 20 0 GIADRO C[C@H](NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccc(F)cc1F ZINC000053548413 822840411 /nfs/dbraw/zinc/84/04/11/822840411.db2.gz DQBVKHKZCSDXKJ-GUYCJALGSA-N 1 0 379.476 4.224 20 0 GIADRO CCN(Cc1cccc(F)c1)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000053547983 822840484 /nfs/dbraw/zinc/84/04/84/822840484.db2.gz QUCHVAWTXWYCSX-GOSISDBHSA-N 1 0 375.513 4.256 20 0 GIADRO CCCn1ccc2cc(NC(=O)N3CCC(OCC[NH+]4CCCC4)CC3)ccc21 ZINC000174811078 822840622 /nfs/dbraw/zinc/84/06/22/822840622.db2.gz JITZNHWWBJXAMJ-UHFFFAOYSA-N 1 0 398.551 4.160 20 0 GIADRO Cc1cc(OCc2ccccc2)ccc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000174821296 822841962 /nfs/dbraw/zinc/84/19/62/822841962.db2.gz RZAWKORDGFWGKK-UXHICEINSA-N 1 0 379.504 4.274 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)Nc2cccc(OCc3ccc(F)cc3)c2)CC[N@@H+]1C ZINC000174841606 822845050 /nfs/dbraw/zinc/84/50/50/822845050.db2.gz DDOKTTJWHHKJMK-OXQOHEQNSA-N 1 0 385.483 4.351 20 0 GIADRO Cc1cc2cc([C@@H](C)[NH2+]Cc3ccc(N4CCCS4(=O)=O)cc3)oc2cc1C ZINC000186032802 822845542 /nfs/dbraw/zinc/84/55/42/822845542.db2.gz BBGPTANIYRYKDK-QGZVFWFLSA-N 1 0 398.528 4.440 20 0 GIADRO C[NH+]1CCC(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cn3)c(F)c2)CC1 ZINC000174847406 822845739 /nfs/dbraw/zinc/84/57/39/822845739.db2.gz RXMDYOQGOOZJJM-UHFFFAOYSA-N 1 0 397.372 4.312 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2ccc3c(c2)CCC(=O)N3)cc1 ZINC000053720409 822845957 /nfs/dbraw/zinc/84/59/57/822845957.db2.gz JLMPFBBPZWSVHS-MRXNPFEDSA-N 1 0 377.488 4.198 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2ccc(N3CCOC3=O)cc2)cc1 ZINC000053721962 822846198 /nfs/dbraw/zinc/84/61/98/822846198.db2.gz ORTZJFNYCYHRHZ-KRWDZBQOSA-N 1 0 393.487 4.270 20 0 GIADRO COc1cc(F)ccc1NC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000174858172 822847413 /nfs/dbraw/zinc/84/74/13/822847413.db2.gz ZNKWYPJKDKFAHF-SCLBCKFNSA-N 1 0 377.485 4.100 20 0 GIADRO COc1ccc(N2CCC[N@@H+]([C@H](C)C(=O)Nc3c(C)cc(C)cc3C)CC2)cc1 ZINC000053772776 822847429 /nfs/dbraw/zinc/84/74/29/822847429.db2.gz GSZCZRUOOZKBNR-HXUWFJFHSA-N 1 0 395.547 4.160 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1ncc(-c2ccccc2)cn1)CC3 ZINC000186055706 822847651 /nfs/dbraw/zinc/84/76/51/822847651.db2.gz ATYAYZAAKZKTKY-SFHVURJKSA-N 1 0 384.483 4.281 20 0 GIADRO COc1ccc([C@@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)c2ccco2)cc1 ZINC000457050542 822848239 /nfs/dbraw/zinc/84/82/39/822848239.db2.gz MODXTCMFIYQBBC-HSZRJFAPSA-N 1 0 390.483 4.403 20 0 GIADRO CN(C(=O)Cc1cccc(Cl)c1Cl)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457060267 822848830 /nfs/dbraw/zinc/84/88/30/822848830.db2.gz AISMCCIELTVJOM-UHFFFAOYSA-N 1 0 397.268 4.411 20 0 GIADRO CN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457072634 822850063 /nfs/dbraw/zinc/85/00/63/822850063.db2.gz RYLMGBPTRAKHRY-CHWSQXEVSA-N 1 0 394.890 4.380 20 0 GIADRO Cc1ccc(C(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)c(F)c1Cl ZINC000457073207 822850131 /nfs/dbraw/zinc/85/01/31/822850131.db2.gz SWXJWMGAHBPCDN-UHFFFAOYSA-N 1 0 380.813 4.276 20 0 GIADRO CC[C@H](NC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1)c1ccncc1 ZINC000174882179 822850343 /nfs/dbraw/zinc/85/03/43/822850343.db2.gz YRTCXLQVAMABMK-QFIPXVFZSA-N 1 0 380.536 4.264 20 0 GIADRO CN(C(=O)[C@@H]1C[C@@H]1c1ccccc1Cl)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457075092 822850445 /nfs/dbraw/zinc/85/04/45/822850445.db2.gz WDNXZIAHRBYISS-HZPDHXFCSA-N 1 0 388.861 4.319 20 0 GIADRO C/C=C\COc1cccc(CC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000457076634 822850559 /nfs/dbraw/zinc/85/05/59/822850559.db2.gz YSWKQBYECYAKME-ARJAWSKDSA-N 1 0 398.469 4.059 20 0 GIADRO CN(C(=O)CCCc1c[nH]c2ccccc12)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457081109 822850973 /nfs/dbraw/zinc/85/09/73/822850973.db2.gz HGUTUUGJKDOLKZ-UHFFFAOYSA-N 1 0 395.469 4.366 20 0 GIADRO CN(C(=O)c1ccc2c3c(cccc31)CC2)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457083767 822851327 /nfs/dbraw/zinc/85/13/27/822851327.db2.gz KUYIZWCYIXSONV-UHFFFAOYSA-N 1 0 390.449 4.427 20 0 GIADRO CN(C(=O)CCCc1ccc(F)c(F)c1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457086830 822851805 /nfs/dbraw/zinc/85/18/05/822851805.db2.gz PDAPPKVTLMGHOL-UHFFFAOYSA-N 1 0 392.412 4.163 20 0 GIADRO CN(C(=O)CSc1ccccc1Cl)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457087069 822851835 /nfs/dbraw/zinc/85/18/35/822851835.db2.gz PRTCXPVBZUVEQB-UHFFFAOYSA-N 1 0 394.890 4.307 20 0 GIADRO Cc1ccc(-c2ocnc2C(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000457087661 822851941 /nfs/dbraw/zinc/85/19/41/822851941.db2.gz QMUDMNVKWXVFIA-UHFFFAOYSA-N 1 0 395.425 4.139 20 0 GIADRO COc1ccc([C@H](C)CC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000457089283 822852130 /nfs/dbraw/zinc/85/21/30/822852130.db2.gz SXVSTGLLPZOVBF-OAHLLOKOSA-N 1 0 386.458 4.064 20 0 GIADRO CN(C(=O)c1cccc(-c2ccoc2)c1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457092323 822852717 /nfs/dbraw/zinc/85/27/17/822852717.db2.gz XHBLPGNNUVHJSP-UHFFFAOYSA-N 1 0 380.410 4.435 20 0 GIADRO CC[C@@H]([NH2+][C@@H](C)c1sccc1OC)c1ccccc1OCC(=O)N(C)C ZINC000186116321 822853096 /nfs/dbraw/zinc/85/30/96/822853096.db2.gz XYEGNOIBVLVRMP-GOEBONIOSA-N 1 0 376.522 4.026 20 0 GIADRO C[NH+](C)CC[C@@H](NC(=O)Nc1ccccc1CC(=O)OC(C)(C)C)C(C)(C)C ZINC000174904872 822853550 /nfs/dbraw/zinc/85/35/50/822853550.db2.gz FGXXSEANLOBONM-GOSISDBHSA-N 1 0 391.556 4.059 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1scnc1C1CC1)c1cccc(C(F)(F)F)c1 ZINC000186124830 822853841 /nfs/dbraw/zinc/85/38/41/822853841.db2.gz LPUJVXBOECRXKF-AWEZNQCLSA-N 1 0 383.439 4.072 20 0 GIADRO Cc1noc(C)c1CSc1ccccc1C(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000457110087 822854069 /nfs/dbraw/zinc/85/40/69/822854069.db2.gz HSOIPDYBFYDKJU-KRWDZBQOSA-N 1 0 387.549 4.138 20 0 GIADRO Cc1cnc([C@H](C)NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)s1 ZINC000174909811 822854385 /nfs/dbraw/zinc/85/43/85/822854385.db2.gz ZYQNXBQSHHCPER-HHXXYDBFSA-N 1 0 386.565 4.207 20 0 GIADRO CC1(C(=O)N2CCC([NH+]3CCN(c4cccc(Cl)c4)CC3)CC2)CCCC1 ZINC000457115991 822854707 /nfs/dbraw/zinc/85/47/07/822854707.db2.gz NJRQYKNVCSSALH-UHFFFAOYSA-N 1 0 389.971 4.033 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2ccccc2Br)CC1 ZINC000053968006 822854832 /nfs/dbraw/zinc/85/48/32/822854832.db2.gz GBOPYFKYTYFNHW-UHFFFAOYSA-N 1 0 387.321 4.152 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)CCc2ccc([C@H]3C[C@H]3C)o2)CC1 ZINC000053968163 822854874 /nfs/dbraw/zinc/85/48/74/822854874.db2.gz MJNFUNGMMQPQHN-GCJKJVERSA-N 1 0 380.532 4.425 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(Br)cc1 ZINC000174915880 822855496 /nfs/dbraw/zinc/85/54/96/822855496.db2.gz LBFZMAJGEJHRTR-KRWDZBQOSA-N 1 0 387.321 4.043 20 0 GIADRO COc1ccsc1[C@H](C)[NH2+][C@@H](C)CC(=O)Nc1cccc(N2CCCC2)c1 ZINC000186146842 822855525 /nfs/dbraw/zinc/85/55/25/822855525.db2.gz ARABAWFMKLHOLH-HOTGVXAUSA-N 1 0 387.549 4.425 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1ccccc1Oc1ccccc1 ZINC000053990246 822855772 /nfs/dbraw/zinc/85/57/72/822855772.db2.gz BWPVMFSYTJJULB-UHFFFAOYSA-N 1 0 387.483 4.268 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1ccc(SC(F)(F)F)cc1 ZINC000053990629 822855969 /nfs/dbraw/zinc/85/59/69/822855969.db2.gz LBEBGMJMEUMIOF-UHFFFAOYSA-N 1 0 395.450 4.088 20 0 GIADRO CN(C)c1ccc(NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c(C(F)(F)F)c1 ZINC000174926565 822856968 /nfs/dbraw/zinc/85/69/68/822856968.db2.gz SHFGHFSVPANQBJ-CQSZACIVSA-N 1 0 386.462 4.110 20 0 GIADRO Cc1ccc(C(F)(F)F)cc1NC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000174927091 822857010 /nfs/dbraw/zinc/85/70/10/822857010.db2.gz CFSUTVGRCAPHBE-UHFFFAOYSA-N 1 0 399.457 4.123 20 0 GIADRO Cc1nc([C@@H]2CCCN2C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cs1 ZINC000186163491 822857234 /nfs/dbraw/zinc/85/72/34/822857234.db2.gz YBPOJSVRLQQQFH-FQEVSTJZSA-N 1 0 384.549 4.094 20 0 GIADRO C[NH+](C)CCN(Cc1ccccc1)C(=O)N[C@@H]1CCSc2ccc(F)cc21 ZINC000054007248 822857403 /nfs/dbraw/zinc/85/74/03/822857403.db2.gz PXROYZQYMKPRDD-LJQANCHMSA-N 1 0 387.524 4.136 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCc1ccc(Cl)s1 ZINC000174933995 822857946 /nfs/dbraw/zinc/85/79/46/822857946.db2.gz DGQLBMOEHFVEDC-KRWDZBQOSA-N 1 0 376.953 4.315 20 0 GIADRO C[C@@H](Sc1ccnc2cc(Cl)ccc21)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000457161753 822858287 /nfs/dbraw/zinc/85/82/87/822858287.db2.gz DQVPKHHQNKNICO-CQSZACIVSA-N 1 0 391.968 4.359 20 0 GIADRO C[N@H+](CCCCNC(=O)c1ccc2scc(Br)c2c1)C1CC1 ZINC000457162491 822858227 /nfs/dbraw/zinc/85/82/27/822858227.db2.gz GDNVQIUAFWZPSG-UHFFFAOYSA-N 1 0 381.339 4.268 20 0 GIADRO C[N@H+](CCCCNC(=O)CCSc1ccnc2cc(Cl)ccc21)C1CC1 ZINC000457169841 822858576 /nfs/dbraw/zinc/85/85/76/822858576.db2.gz PNDHOEMXYLJUBP-UHFFFAOYSA-N 1 0 391.968 4.361 20 0 GIADRO Cc1nc([C@H]2CCCN2C(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)cs1 ZINC000186182551 822858774 /nfs/dbraw/zinc/85/87/74/822858774.db2.gz VFLDELPBNJPASW-MOPGFXCFSA-N 1 0 378.586 4.055 20 0 GIADRO CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)NCC2(C[NH+](C)C)CCCC2)c1 ZINC000186183429 822858785 /nfs/dbraw/zinc/85/87/85/822858785.db2.gz GLDUQIHBLXYEMD-UHFFFAOYSA-N 1 0 393.959 4.176 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@@H]1c1csc(C)n1)c1ccsc1 ZINC000186186422 822859058 /nfs/dbraw/zinc/85/90/58/822859058.db2.gz RKMBRWBLGJBYDC-MSOLQXFVSA-N 1 0 392.594 4.443 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000174946720 822859567 /nfs/dbraw/zinc/85/95/67/822859567.db2.gz DUUZAFXGCKGXJB-OAHLLOKOSA-N 1 0 392.341 4.268 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)c2cccc(NC(=O)[C@H]3C[C@@H]3C)c2)c1 ZINC000054032612 822859660 /nfs/dbraw/zinc/85/96/60/822859660.db2.gz QNPAYHDOLDRBPT-JTSKRJEESA-N 1 0 393.531 4.053 20 0 GIADRO Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000457193316 822859803 /nfs/dbraw/zinc/85/98/03/822859803.db2.gz CXPXJFDSAUIODP-UHFFFAOYSA-N 1 0 377.941 4.376 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(Cc2coc(-c3ccc(Br)cc3)n2)C1 ZINC000174949866 822859969 /nfs/dbraw/zinc/85/99/69/822859969.db2.gz DHDLNBZAKCLSCV-OAHLLOKOSA-N 1 0 392.341 4.268 20 0 GIADRO O=C([C@H]1CCCOCC1)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457194636 822860046 /nfs/dbraw/zinc/86/00/46/822860046.db2.gz MRIXPPHWPHHQAP-BJKOFHAPSA-N 1 0 398.591 4.487 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000174957302 822861085 /nfs/dbraw/zinc/86/10/85/822861085.db2.gz XZGUMUDAQIGAIQ-QGZVFWFLSA-N 1 0 376.422 4.300 20 0 GIADRO Cc1cc2[nH]c(C(=O)N(C)C[C@H]3CC[N@H+](Cc4ccccc4)C3)cc2c(C)c1 ZINC000174958970 822861472 /nfs/dbraw/zinc/86/14/72/822861472.db2.gz IHHWBBLAHHXDPI-HXUWFJFHSA-N 1 0 375.516 4.379 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(Br)cs1 ZINC000174962101 822861986 /nfs/dbraw/zinc/86/19/86/822861986.db2.gz ANMCEZANQNWFFA-OAHLLOKOSA-N 1 0 393.350 4.105 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1cc(F)cc(F)c1 ZINC000174969488 822862557 /nfs/dbraw/zinc/86/25/57/822862557.db2.gz BHFXCZSDAWDMLZ-SFHVURJKSA-N 1 0 387.474 4.018 20 0 GIADRO Cc1ccc(NC(=O)c2csc3ccccc23)cc1NC(=O)CC[NH+](C)C ZINC000186226207 822862590 /nfs/dbraw/zinc/86/25/90/822862590.db2.gz YFRHTYQZSBFNSV-UHFFFAOYSA-N 1 0 381.501 4.352 20 0 GIADRO COc1cc(NC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)ccc1OC(C)C ZINC000186230079 822862941 /nfs/dbraw/zinc/86/29/41/822862941.db2.gz FVCYWMLNALBQRQ-SFHVURJKSA-N 1 0 389.471 4.046 20 0 GIADRO Cc1ccc(NC(=O)CC[C@@H](C)c2ccccc2)cc1NC(=O)CC[NH+](C)C ZINC000186242062 822864081 /nfs/dbraw/zinc/86/40/81/822864081.db2.gz VBOQGHYNHNWPOF-QGZVFWFLSA-N 1 0 381.520 4.408 20 0 GIADRO CC(C)N1CCC[C@H]([NH2+][C@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)C1=O ZINC000174999085 822865542 /nfs/dbraw/zinc/86/55/42/822865542.db2.gz XAPFBTKTLUBVQA-IERDGZPVSA-N 1 0 397.494 4.128 20 0 GIADRO O=C(C1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1)N1CCCC1 ZINC000054171676 822865721 /nfs/dbraw/zinc/86/57/21/822865721.db2.gz MIGWPBSYROMFET-UHFFFAOYSA-N 1 0 392.543 4.127 20 0 GIADRO Cc1ccc(NC(=O)c2ccc(OC(C)(C)C)cc2)cc1NC(=O)CC[NH+](C)C ZINC000186256795 822865733 /nfs/dbraw/zinc/86/57/33/822865733.db2.gz VHHODCONVBKZOQ-UHFFFAOYSA-N 1 0 397.519 4.315 20 0 GIADRO C[C@@H](CCNC(=O)N1CCCC[C@H]1c1nc2ccccc2[nH]1)[NH+]1CCCCC1 ZINC000568964981 822865835 /nfs/dbraw/zinc/86/58/35/822865835.db2.gz FLWYDHBQJJGTET-PXNSSMCTSA-N 1 0 383.540 4.064 20 0 GIADRO NC(=O)c1ccc(C[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C2CC2)cc1 ZINC000054174060 822865843 /nfs/dbraw/zinc/86/58/43/822865843.db2.gz SVFYZABFBZCCQW-UHFFFAOYSA-N 1 0 399.494 4.202 20 0 GIADRO CCCCNC(=O)C1CC[NH+](Cc2cccc(C(=O)Nc3ccccc3)c2)CC1 ZINC000054174783 822865877 /nfs/dbraw/zinc/86/58/77/822865877.db2.gz DIASFNFCJPWLAG-UHFFFAOYSA-N 1 0 393.531 4.067 20 0 GIADRO O=c1[nH]c(CC[N@H+](CCc2ccccc2)Cc2ccccc2)nc2ccccc21 ZINC000054174713 822865886 /nfs/dbraw/zinc/86/58/86/822865886.db2.gz PWCCSCAQKQDFDV-UHFFFAOYSA-N 1 0 383.495 4.211 20 0 GIADRO Cc1ccccc1C(=O)NC1CC[NH+](Cc2ccc3c(c2)COC(C)(C)O3)CC1 ZINC000186260434 822866218 /nfs/dbraw/zinc/86/62/18/822866218.db2.gz DUUAFXSAGKGEOW-UHFFFAOYSA-N 1 0 394.515 4.035 20 0 GIADRO Cc1ccc(NC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)cc1NC(=O)CC[NH+](C)C ZINC000186261751 822866418 /nfs/dbraw/zinc/86/64/18/822866418.db2.gz NSCPLGSSYFNBDP-OALUTQOASA-N 1 0 399.922 4.281 20 0 GIADRO [NH3+]C[C@H]1CN(C(=O)N[C@@H](CC2CCCCC2)c2ccccc2)CC12CCOCC2 ZINC000568974726 822866790 /nfs/dbraw/zinc/86/67/90/822866790.db2.gz POPRIDJDDFQCNE-VXKWHMMOSA-N 1 0 399.579 4.095 20 0 GIADRO Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)NCc2cccc(C[NH+](C)C)c2)cc1 ZINC000175012313 822867122 /nfs/dbraw/zinc/86/71/22/822867122.db2.gz BLXFPTPZECSBBS-GOTSBHOMSA-N 1 0 395.547 4.024 20 0 GIADRO CO[C@H](CNC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccc(F)cc1 ZINC000175011823 822867156 /nfs/dbraw/zinc/86/71/56/822867156.db2.gz BXGWFFBUJSHDIY-HTAPYJJXSA-N 1 0 399.510 4.038 20 0 GIADRO Cc1ccc(-c2nc(-c3ccccc3)sc2CC(=O)N2CC[C@H]([NH3+])[C@@H]2C)cc1 ZINC000568989530 822867873 /nfs/dbraw/zinc/86/78/73/822867873.db2.gz UDCCXGSCMOFSND-LPHOPBHVSA-N 1 0 391.540 4.276 20 0 GIADRO Cc1ccc(NC(=O)CCc2ccc(Cl)s2)cc1NC(=O)CC[NH+](C)C ZINC000186272274 822868080 /nfs/dbraw/zinc/86/80/80/822868080.db2.gz JADJYANAEVQDJP-UHFFFAOYSA-N 1 0 393.940 4.171 20 0 GIADRO COc1cncc(/C=C/CC[NH2+][C@H](C)c2c(C)nn(CC(F)(F)F)c2C)c1 ZINC000568997220 822868557 /nfs/dbraw/zinc/86/85/57/822868557.db2.gz JLFFFZBEGFHBHG-VUDGCMKMSA-N 1 0 382.430 4.220 20 0 GIADRO CC[C@@H]1CN(C(=O)Nc2ccc(SCC[NH+]3CCCCC3)cc2)CCCO1 ZINC000568999075 822868624 /nfs/dbraw/zinc/86/86/24/822868624.db2.gz RWFFBZZMEPNEKX-LJQANCHMSA-N 1 0 391.581 4.297 20 0 GIADRO C[C@H](Cc1cccs1)NC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000175020425 822868670 /nfs/dbraw/zinc/86/86/70/822868670.db2.gz LRZJTLSUDAFMNH-VKJFTORMSA-N 1 0 377.579 4.123 20 0 GIADRO O=C(Nc1ccc(Cl)cn1)C1CC[NH+](Cc2cc(F)cc3cccnc32)CC1 ZINC000054217192 822868792 /nfs/dbraw/zinc/86/87/92/822868792.db2.gz DXEUGNGVPBBGLL-UHFFFAOYSA-N 1 0 398.869 4.273 20 0 GIADRO CC(C)Oc1cccc(C[NH+]2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)c1 ZINC000054217480 822868799 /nfs/dbraw/zinc/86/87/99/822868799.db2.gz IBSOGDCVYDTIOG-UHFFFAOYSA-N 1 0 387.911 4.373 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2csc(Br)c2)C1 ZINC000054223676 822869316 /nfs/dbraw/zinc/86/93/16/822869316.db2.gz YMGUXXUXIRUORD-DOMZBBRYSA-N 1 0 379.323 4.076 20 0 GIADRO Cc1nn(CC(C)C)c(C)c1CCC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000054224908 822869502 /nfs/dbraw/zinc/86/95/02/822869502.db2.gz BMMBDNLIESIRLZ-SIKLNZKXSA-N 1 0 396.579 4.040 20 0 GIADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NC[C@H](Cc1ccccc1)c1ccccc1 ZINC000569016002 822869921 /nfs/dbraw/zinc/86/99/21/822869921.db2.gz LAPOQYUWCDMHKG-FGCOXFRFSA-N 1 0 391.559 4.281 20 0 GIADRO CCN1CCC([NH+]2CCC(C(=O)N[C@@H](C)c3cc4ccccc4s3)CC2)CC1 ZINC000569017289 822870049 /nfs/dbraw/zinc/87/00/49/822870049.db2.gz NCALHYGCWRYFGR-KRWDZBQOSA-N 1 0 399.604 4.275 20 0 GIADRO COc1ccc(C(=O)Nc2cccc(C[NH2+]CCC[C@@H]3CCCCO3)c2)cc1 ZINC000186282934 822870111 /nfs/dbraw/zinc/87/01/11/822870111.db2.gz JKRPJFLQBUYADY-QFIPXVFZSA-N 1 0 382.504 4.386 20 0 GIADRO C[NH2+]Cc1cccc(NC(=O)[C@H](C)Cc2ccc(F)c(Br)c2)c1 ZINC000457363094 822870332 /nfs/dbraw/zinc/87/03/32/822870332.db2.gz MXAPCOXGCKVNBT-GFCCVEGCSA-N 1 0 379.273 4.125 20 0 GIADRO [NH3+][C@@H]1CN(C(=O)c2[nH]c3ccc(F)cc3c2Cl)CC[C@H]1c1ccc(F)cc1 ZINC000457363190 822870341 /nfs/dbraw/zinc/87/03/41/822870341.db2.gz AFHSMVIRBFWUHY-GOEBONIOSA-N 1 0 389.833 4.057 20 0 GIADRO COc1ccccc1[C@H]1[C@@H]([NH3+])CCCN1C(=O)c1cc(F)cc(C(F)(F)F)c1 ZINC000457368515 822870741 /nfs/dbraw/zinc/87/07/41/822870741.db2.gz ZLXDUFUUNDIYSZ-WMZOPIPTSA-N 1 0 396.384 4.158 20 0 GIADRO c1c(C[NH2+]CCC[C@H]2CCCCO2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000186286540 822870804 /nfs/dbraw/zinc/87/08/04/822870804.db2.gz OMDMVXNWUXDKSF-JOCHJYFZSA-N 1 0 376.504 4.373 20 0 GIADRO Cc1nc(C2CCCC2)sc1C(=O)N1CC[C@H](c2ccc(F)cc2)[C@H]([NH3+])C1 ZINC000457370465 822870904 /nfs/dbraw/zinc/87/09/04/822870904.db2.gz OLUIKTQOXPAAIH-QZTJIDSGSA-N 1 0 387.524 4.205 20 0 GIADRO CCc1cc(N2CCC([NH2+][C@H](C)c3ccc(C(F)(F)F)cc3)CC2)ncn1 ZINC000175030088 822871004 /nfs/dbraw/zinc/87/10/04/822871004.db2.gz VSVFSVWQCJXXNI-CQSZACIVSA-N 1 0 378.442 4.377 20 0 GIADRO CC[C@H](CC(=O)N1CC[C@@H](c2ccc(OC)c(F)c2)[C@H]([NH3+])C1)c1ccccc1 ZINC000457374130 822871127 /nfs/dbraw/zinc/87/11/27/822871127.db2.gz KHTXAWWYXKAQNN-LKUPVBHCSA-N 1 0 384.495 4.061 20 0 GIADRO [NH3+][C@H]1CN(C(=O)c2ccc(CCC(F)(F)F)cc2)CC[C@@H]1c1ccc(F)cc1 ZINC000457374109 822871144 /nfs/dbraw/zinc/87/11/44/822871144.db2.gz KDGMOQRUWQNCDN-MOPGFXCFSA-N 1 0 394.412 4.278 20 0 GIADRO [NH3+][C@H]1CN(C(=O)c2ccc(CCC(F)(F)F)cc2)CC[C@H]1c1ccc(F)cc1 ZINC000457374110 822871177 /nfs/dbraw/zinc/87/11/77/822871177.db2.gz KDGMOQRUWQNCDN-OALUTQOASA-N 1 0 394.412 4.278 20 0 GIADRO [NH3+][C@@H]1CN(C(=O)c2cc(C3CC3)nc3ccccc32)CC[C@@H]1c1ccc(F)cc1 ZINC000457375338 822871250 /nfs/dbraw/zinc/87/12/50/822871250.db2.gz LHZSOYSCXATJLV-WIYYLYMNSA-N 1 0 389.474 4.208 20 0 GIADRO [NH3+][C@@H]1CN(C(=O)CCCc2nc3ccccc3s2)CC[C@@H]1c1ccc(F)cc1 ZINC000457374880 822871353 /nfs/dbraw/zinc/87/13/53/822871353.db2.gz WZCOWAALQMMOPH-QZTJIDSGSA-N 1 0 397.519 4.102 20 0 GIADRO COc1ccc([C@@H]2CCN(C(=O)CC[C@H](C)c3ccccc3)C[C@H]2[NH3+])cc1F ZINC000457377165 822871480 /nfs/dbraw/zinc/87/14/80/822871480.db2.gz MOHQVRBPKFLQGC-NBHGPNQESA-N 1 0 384.495 4.061 20 0 GIADRO Cc1cc(C[NH3+])cc(NC(=O)c2ccc(-c3noc(CC(C)(C)C)n3)cc2)c1 ZINC000457384860 822871839 /nfs/dbraw/zinc/87/18/39/822871839.db2.gz UUCNHDHGKVTQHC-UHFFFAOYSA-N 1 0 378.476 4.345 20 0 GIADRO CCC[N@H+](CC)C[C@@H](C)NCc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000569039709 822872018 /nfs/dbraw/zinc/87/20/18/822872018.db2.gz IFGOLQOGQROCFN-LJQANCHMSA-N 1 0 377.536 4.144 20 0 GIADRO CCc1nc2ccccc2n1C1CC[NH+](Cc2cc(OC)c(O)c(OC)c2)CC1 ZINC000569038896 822872096 /nfs/dbraw/zinc/87/20/96/822872096.db2.gz LNSPOTXVYUNUAZ-UHFFFAOYSA-N 1 0 395.503 4.159 20 0 GIADRO O=c1[nH]c(CC[N@H+]2CCC[C@H]2c2ccc(Br)cc2)nc2ccccc21 ZINC000054271838 822872349 /nfs/dbraw/zinc/87/23/49/822872349.db2.gz FJRXTWPNKXKUGM-SFHVURJKSA-N 1 0 398.304 4.065 20 0 GIADRO Cc1cccc(NC(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000175051510 822874047 /nfs/dbraw/zinc/87/40/47/822874047.db2.gz CCXLNYFRBAOWMS-UHFFFAOYSA-N 1 0 381.520 4.188 20 0 GIADRO CCN(C(=O)c1cnc2ccc(F)cc2c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186314506 822875099 /nfs/dbraw/zinc/87/50/99/822875099.db2.gz OMKFDZMAWICLLH-OAQYLSRUSA-N 1 0 377.463 4.111 20 0 GIADRO Cc1cc(Br)c(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)s1 ZINC000457440275 822875397 /nfs/dbraw/zinc/87/53/97/822875397.db2.gz MIYXURSDRICKSV-UHFFFAOYSA-N 1 0 393.350 4.345 20 0 GIADRO C[C@H]([NH2+][C@@H](C)[C@@H](c1ccccc1)N(C)C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000186324905 822876405 /nfs/dbraw/zinc/87/64/05/822876405.db2.gz BTSKJNGRKVTXQO-HOIFWPIMSA-N 1 0 380.536 4.313 20 0 GIADRO Cc1ccc(NC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c(-c2nc(C3CC3)no2)c1 ZINC000175067592 822876904 /nfs/dbraw/zinc/87/69/04/822876904.db2.gz CUORGZSLLVOJAT-KRWDZBQOSA-N 1 0 397.523 4.261 20 0 GIADRO Cc1cnc([C@@H](NC(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)C2CC2)s1 ZINC000186331248 822877221 /nfs/dbraw/zinc/87/72/21/822877221.db2.gz LIKLEHLHRFFVMV-UXHICEINSA-N 1 0 398.576 4.112 20 0 GIADRO CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000569077105 822877380 /nfs/dbraw/zinc/87/73/80/822877380.db2.gz MIBLLKYRTSNWDC-ISKFKSNPSA-N 1 0 394.515 4.268 20 0 GIADRO CO[C@H](C)c1nc(CN2CC[NH+](Cc3cccc4ccccc43)CC2)cs1 ZINC000175071168 822877580 /nfs/dbraw/zinc/87/75/80/822877580.db2.gz HNFMNZTWLDPKNM-QGZVFWFLSA-N 1 0 381.545 4.322 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000186334395 822877652 /nfs/dbraw/zinc/87/76/52/822877652.db2.gz DIGPIRQDTSZTSD-KATGSKEPSA-N 1 0 394.544 4.390 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)N[C@H](c1nc(C)cs1)C1CC1)c1ccsc1 ZINC000175074407 822877887 /nfs/dbraw/zinc/87/78/87/822877887.db2.gz MRKZLMPRCOJAOQ-IRXDYDNUSA-N 1 0 392.594 4.346 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)c2sc(C)cc2Br)c1 ZINC000457468167 822877996 /nfs/dbraw/zinc/87/79/96/822877996.db2.gz NBUUQJUDGBPSAO-UHFFFAOYSA-N 1 0 381.339 4.201 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H]1c1ccc(F)cc1F)c1cccs1 ZINC000457471183 822878306 /nfs/dbraw/zinc/87/83/06/822878306.db2.gz ZDYREAKFUJJRBD-IAGOWNOFSA-N 1 0 379.476 4.176 20 0 GIADRO C[C@@H]([NH2+]C1CCC(O)(c2cccnc2)CC1)c1nc2ccc(Cl)cc2n1C ZINC000186344251 822878980 /nfs/dbraw/zinc/87/89/80/822878980.db2.gz WRNSWRZTMOLROR-OKSICCMJSA-N 1 0 384.911 4.103 20 0 GIADRO O=C(COC1CC[NH2+]CC1)N[C@H]1CCCCC[C@@H]1c1ccccc1C(F)(F)F ZINC000569093245 822879557 /nfs/dbraw/zinc/87/95/57/822879557.db2.gz KPIQPWQMSAVQSH-MJGOQNOKSA-N 1 0 398.469 4.007 20 0 GIADRO CC[NH+](CC)[C@H]1CCN(C(=O)NCc2ccccc2COCc2ccccc2)C1 ZINC000175088732 822880059 /nfs/dbraw/zinc/88/00/59/822880059.db2.gz SUEVDWLJWQBBEY-QHCPKHFHSA-N 1 0 395.547 4.029 20 0 GIADRO O=C(Nc1ccc(OC(F)F)c(Cl)c1)NC1CC[NH+](C2CCCC2)CC1 ZINC000175092314 822880856 /nfs/dbraw/zinc/88/08/56/822880856.db2.gz CIYBODXZLZPPSS-UHFFFAOYSA-N 1 0 387.858 4.470 20 0 GIADRO O=C1C[C@@H](c2ccccc2)[N@H+](Cc2cc(-c3ccc(Cl)cc3)no2)CCN1 ZINC000054395865 822881751 /nfs/dbraw/zinc/88/17/51/822881751.db2.gz YQZWRPQUQAVWIA-FQEVSTJZSA-N 1 0 381.863 4.058 20 0 GIADRO COc1ccc(C[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)cc1OC(F)F ZINC000186362870 822882105 /nfs/dbraw/zinc/88/21/05/822882105.db2.gz VISSJYSTDPECJT-UHFFFAOYSA-N 1 0 379.403 4.232 20 0 GIADRO O=C(NCC1=CC[NH2+]CC1)[C@H](Sc1ccc(F)c(Cl)c1)c1ccccc1 ZINC000186361340 822882133 /nfs/dbraw/zinc/88/21/33/822882133.db2.gz DTDCPXAORFAZAK-LJQANCHMSA-N 1 0 390.911 4.348 20 0 GIADRO COc1ccc2[nH]c(C(=O)N(C)C[C@H]3CC[N@H+](Cc4ccc(C)s4)C3)cc2c1 ZINC000569128377 822882027 /nfs/dbraw/zinc/88/20/27/822882027.db2.gz FGUXHROJKHUDHM-MRXNPFEDSA-N 1 0 397.544 4.141 20 0 GIADRO CCc1nc(C)c(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)s1 ZINC000569131868 822882397 /nfs/dbraw/zinc/88/23/97/822882397.db2.gz FFGFPLPYFGVPQH-OAHLLOKOSA-N 1 0 379.476 4.110 20 0 GIADRO Cc1ccc(C[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)c(N2CCOCC2)c1 ZINC000569133491 822882550 /nfs/dbraw/zinc/88/25/50/822882550.db2.gz GVNAMXWMZSHCFX-JOCHJYFZSA-N 1 0 375.516 4.480 20 0 GIADRO O=C(c1ccc(Oc2cccc(F)c2)cn1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000457502823 822882734 /nfs/dbraw/zinc/88/27/34/822882734.db2.gz FTCHFBJTQRYXHQ-SFHVURJKSA-N 1 0 383.467 4.104 20 0 GIADRO CN(C)c1ccc(NC(=O)NCC[N@H+](C)Cc2ccccc2)c(C(F)(F)F)c1 ZINC000054409320 822882913 /nfs/dbraw/zinc/88/29/13/822882913.db2.gz UQEUETXZPLMRNE-UHFFFAOYSA-N 1 0 394.441 4.025 20 0 GIADRO COC(=O)N1CCC([C@H](C)[NH2+]Cc2ccc(-c3ccccc3OC)cc2)CC1 ZINC000186369716 822883114 /nfs/dbraw/zinc/88/31/14/822883114.db2.gz JEBPZMXCGFSWOJ-KRWDZBQOSA-N 1 0 382.504 4.319 20 0 GIADRO C[C@H]([NH2+]CC1(CCOCc2ccccc2)CC1)c1ccc(-n2cncn2)cc1 ZINC000186372000 822883584 /nfs/dbraw/zinc/88/35/84/822883584.db2.gz RMESODRCQKSHNO-IBGZPJMESA-N 1 0 376.504 4.305 20 0 GIADRO CSc1ccccc1NC(=O)CC[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000054425278 822883779 /nfs/dbraw/zinc/88/37/79/822883779.db2.gz YQUUJEJMSSLQOG-UHFFFAOYSA-N 1 0 380.460 4.471 20 0 GIADRO CC[C@@H](C)NC(=O)c1cccc(C[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)c1 ZINC000186376868 822884371 /nfs/dbraw/zinc/88/43/71/822884371.db2.gz AJEPYAIZJYVYOX-MRXNPFEDSA-N 1 0 382.504 4.150 20 0 GIADRO CC1(C)OCc2cc(C[NH2+]Cc3cccc(COC4CCOCC4)c3)ccc2O1 ZINC000186377242 822884411 /nfs/dbraw/zinc/88/44/11/822884411.db2.gz PUVCJMGYTQOYFH-UHFFFAOYSA-N 1 0 397.515 4.317 20 0 GIADRO COc1ccccc1[C@H](C[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1)OC(C)C ZINC000186378837 822884862 /nfs/dbraw/zinc/88/48/62/822884862.db2.gz IGESLQGKTYEPCT-JTSKRJEESA-N 1 0 398.503 4.469 20 0 GIADRO COc1ccccc1[C@H](C[NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C)OC(C)C ZINC000186379607 822884914 /nfs/dbraw/zinc/88/49/14/822884914.db2.gz HKVNDDHJDHOCKO-APTRMMRNSA-N 1 0 397.563 4.057 20 0 GIADRO COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@@H](C)c3csc(C(C)C)n3)C2)c1 ZINC000186383191 822885634 /nfs/dbraw/zinc/88/56/34/822885634.db2.gz FBRAIYUVHWODOU-JKSUJKDBSA-N 1 0 389.565 4.461 20 0 GIADRO COc1ccccc1[C@@H](C[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1)OC(C)C ZINC000186384125 822885666 /nfs/dbraw/zinc/88/56/66/822885666.db2.gz IUOVNDWNQXPDLS-VGOFRKELSA-N 1 0 398.503 4.469 20 0 GIADRO C[C@H](CBr)C[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000186384369 822885863 /nfs/dbraw/zinc/88/58/63/822885863.db2.gz RZMCZNZAUITIJC-GFCCVEGCSA-N 1 0 391.147 4.075 20 0 GIADRO CC1(C)OCc2cc(C[NH2+]C[C@H](O)c3c(Cl)cccc3Cl)ccc2O1 ZINC000186388799 822886387 /nfs/dbraw/zinc/88/63/87/822886387.db2.gz RFKZKJVNSLIOOJ-INIZCTEOSA-N 1 0 382.287 4.462 20 0 GIADRO CC(=O)Nc1c(C)ccc(NC(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)c1C ZINC000054446098 822886609 /nfs/dbraw/zinc/88/66/09/822886609.db2.gz XDVRWBJZXOAFNO-GJZGRUSLSA-N 1 0 388.556 4.140 20 0 GIADRO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(c2noc3ccc(Cl)cc32)C1 ZINC000569165243 822886955 /nfs/dbraw/zinc/88/69/55/822886955.db2.gz LTFUOCZUMICILP-CYBMUJFWSA-N 1 0 376.913 4.204 20 0 GIADRO CC(C)N(C)C(=O)C1CC[NH+](Cc2c3c(ccc2O)oc2c3CCCC2)CC1 ZINC000054470490 822887990 /nfs/dbraw/zinc/88/79/90/822887990.db2.gz YVWNMOURNQNPRC-UHFFFAOYSA-N 1 0 384.520 4.096 20 0 GIADRO COc1ccc(C[N@H+](Cc2cnc3cnccn23)[C@@H]2CCCC[C@@H]2C)cc1OC ZINC000569172461 822888470 /nfs/dbraw/zinc/88/84/70/822888470.db2.gz LMVPHNXSVQEHII-FXAWDEMLSA-N 1 0 394.519 4.327 20 0 GIADRO Cc1cccc(Oc2ccc(C(=O)N3CCC(C[NH+]4CCCC4)CC3)nc2)c1 ZINC000457550997 822889662 /nfs/dbraw/zinc/88/96/62/822889662.db2.gz DQTROOUFSTYMLL-UHFFFAOYSA-N 1 0 379.504 4.130 20 0 GIADRO CCOC(=O)N1CCC([C@@H](C)[NH2+]Cc2cc3ccccc3nc2Cl)CC1 ZINC000186411551 822890287 /nfs/dbraw/zinc/89/02/87/822890287.db2.gz RAUFJRZZKAYUIH-CQSZACIVSA-N 1 0 375.900 4.235 20 0 GIADRO CCO[C@H]1C[C@@H]([NH2+]CCc2nc(-c3ccccc3)c(C)s2)C12CCOCC2 ZINC000186419593 822891535 /nfs/dbraw/zinc/89/15/35/822891535.db2.gz KETJTGXWJXLCSD-MOPGFXCFSA-N 1 0 386.561 4.225 20 0 GIADRO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H](C)c2sc(-c3ccccc3)nc2C)C1 ZINC000054510629 822891686 /nfs/dbraw/zinc/89/16/86/822891686.db2.gz VHBQQZPBJPBJQQ-DLBZAZTESA-N 1 0 386.565 4.211 20 0 GIADRO CCOC(=O)N1CCC([C@@H](C)[NH2+]Cc2nc3cc(C(F)(F)F)ccc3o2)CC1 ZINC000186421375 822891972 /nfs/dbraw/zinc/89/19/72/822891972.db2.gz BVWGJOMYESYZGB-GFCCVEGCSA-N 1 0 399.413 4.193 20 0 GIADRO Cc1nn2c(CNc3ccc4c(c3)[nH+]c(C)n4[C@H](C)CO)c(C(C)C)nc2s1 ZINC000569205042 822892614 /nfs/dbraw/zinc/89/26/14/822892614.db2.gz RSYYXDQAJKJVIR-GFCCVEGCSA-N 1 0 398.536 4.046 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)c2cc(Br)co2)CC[N@@H+]1Cc1ccccc1 ZINC000457572491 822893009 /nfs/dbraw/zinc/89/30/09/822893009.db2.gz IVLNDXRCQMXFNR-PBHICJAKSA-N 1 0 391.309 4.167 20 0 GIADRO CCOC(=O)N(C)c1ccc(NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000054530886 822893624 /nfs/dbraw/zinc/89/36/24/822893624.db2.gz RBAVCVBBNYRMMB-KRWDZBQOSA-N 1 0 390.528 4.055 20 0 GIADRO C[NH+](C)CCC1CCN(C(=O)c2ccc(Oc3cccc(Cl)c3)cn2)CC1 ZINC000457576204 822893721 /nfs/dbraw/zinc/89/37/21/822893721.db2.gz KZYQSYGJIXJHOX-UHFFFAOYSA-N 1 0 387.911 4.331 20 0 GIADRO O=C(NCc1ccco1)c1cccc(C[NH2+][C@@H]2CCCc3ccc(O)cc32)c1 ZINC000569217658 822893741 /nfs/dbraw/zinc/89/37/41/822893741.db2.gz IWVZWBUTWVUMQF-JOCHJYFZSA-N 1 0 376.456 4.082 20 0 GIADRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)[C@@H]1CCCC[C@@H]1C ZINC000569232545 822895180 /nfs/dbraw/zinc/89/51/80/822895180.db2.gz FXOHDLNAUNNMQT-IOMROCGXSA-N 1 0 380.536 4.403 20 0 GIADRO CN(C(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457594087 822895864 /nfs/dbraw/zinc/89/58/64/822895864.db2.gz ZZVMFQRYLKZMLB-YESZJQIVSA-N 1 0 389.506 4.404 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(Br)co1 ZINC000457604078 822896548 /nfs/dbraw/zinc/89/65/48/822896548.db2.gz GSTZRGRHRLTEJW-INIZCTEOSA-N 1 0 391.309 4.026 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)[C@@]2(C)CCCCO2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000457609175 822896975 /nfs/dbraw/zinc/89/69/75/822896975.db2.gz XUGLLLXHHQKWMW-IMFGXOCKSA-N 1 0 398.469 4.164 20 0 GIADRO Cc1nc(-c2ccccc2)oc1C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000175170873 822897249 /nfs/dbraw/zinc/89/72/49/822897249.db2.gz IAZSIEZCFIAHJF-SFHVURJKSA-N 1 0 389.499 4.387 20 0 GIADRO Cc1cc(OCc2ccccc2)c(C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)s1 ZINC000457611922 822897278 /nfs/dbraw/zinc/89/72/78/822897278.db2.gz LICBYQJRBMJYLG-HXUWFJFHSA-N 1 0 398.572 4.439 20 0 GIADRO CC[NH+](CC)CCOC1CCN(C(=O)C(C)(C)Cc2ccc(Cl)cc2)CC1 ZINC000457612200 822897309 /nfs/dbraw/zinc/89/73/09/822897309.db2.gz XJLLIXJPCWDGET-UHFFFAOYSA-N 1 0 394.987 4.258 20 0 GIADRO Cc1ccccc1Oc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)nc1 ZINC000457614720 822897507 /nfs/dbraw/zinc/89/75/07/822897507.db2.gz ZXMGIWCEZHJTJX-MOPGFXCFSA-N 1 0 379.504 4.270 20 0 GIADRO CCOc1cc(C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)ccc1OC(F)F ZINC000186449944 822897536 /nfs/dbraw/zinc/89/75/36/822897536.db2.gz LXPOUEVJGRGKCP-NRFANRHFSA-N 1 0 375.415 4.318 20 0 GIADRO CCC(CC)[C@H](CNC(=O)N[C@H]1CCO[C@@H](c2cccs2)C1)[NH+]1CCCC1 ZINC000457620793 822897990 /nfs/dbraw/zinc/89/79/90/822897990.db2.gz QANZFCCQAIGKMD-GBESFXJTSA-N 1 0 393.597 4.168 20 0 GIADRO CCOc1cccc(C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)c1OC(F)F ZINC000186452377 822898066 /nfs/dbraw/zinc/89/80/66/822898066.db2.gz CTTHOEBZQPPVHJ-OAQYLSRUSA-N 1 0 375.415 4.318 20 0 GIADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCc2c1cccc2-c1ccccc1 ZINC000186452573 822898111 /nfs/dbraw/zinc/89/81/11/822898111.db2.gz DWYJSOWSXWJZDP-QHCPKHFHSA-N 1 0 378.516 4.036 20 0 GIADRO Cc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000569265431 822898360 /nfs/dbraw/zinc/89/83/60/822898360.db2.gz GOVFVQDYKDXSKL-IAGOWNOFSA-N 1 0 380.467 4.388 20 0 GIADRO CC[NH+](CC)CCNC(=O)c1ccc(NCc2cnc(C3CCC3)s2)cc1 ZINC000569268252 822898635 /nfs/dbraw/zinc/89/86/35/822898635.db2.gz UKMZNZRFOLNMRS-UHFFFAOYSA-N 1 0 386.565 4.094 20 0 GIADRO Cn1nccc1CC[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000186461355 822898942 /nfs/dbraw/zinc/89/89/42/822898942.db2.gz KJYCHDMRKHGKEF-UHFFFAOYSA-N 1 0 386.839 4.106 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)NC2CCC(C(F)F)CC2)CC1 ZINC000457636535 822899422 /nfs/dbraw/zinc/89/94/22/822899422.db2.gz KHCGHAAYTOIUQF-UHFFFAOYSA-N 1 0 379.495 4.083 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@H](C)CSc2ccc(C)cc2)ccc1S(C)(=O)=O ZINC000186469756 822900484 /nfs/dbraw/zinc/90/04/84/822900484.db2.gz XGHOVCSYDCYNOA-HZPDHXFCSA-N 1 0 393.574 4.239 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1ccc(-c2cncnc2)cc1F ZINC000186475804 822901378 /nfs/dbraw/zinc/90/13/78/822901378.db2.gz AGEKHDNHCGNPDK-UHFFFAOYSA-N 1 0 392.478 4.053 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H](c2ncc(C)s2)C2CC2)c1 ZINC000175199760 822902578 /nfs/dbraw/zinc/90/25/78/822902578.db2.gz HMLUHFKJMNUFDU-LJQANCHMSA-N 1 0 386.565 4.244 20 0 GIADRO O=C(CCc1ncc(-c2ccccc2)o1)NCc1ccccc1C[NH+]1CCCC1 ZINC000054668915 822903321 /nfs/dbraw/zinc/90/33/21/822903321.db2.gz GLWPGIAUBZKWGY-UHFFFAOYSA-N 1 0 389.499 4.186 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)c2ccc(-c3cncnc3)cc2F)c1 ZINC000186488203 822903466 /nfs/dbraw/zinc/90/34/66/822903466.db2.gz QYXWRHONOBDXQO-UHFFFAOYSA-N 1 0 392.478 4.055 20 0 GIADRO Cc1noc([C@H]2CCC[N@H+](Cc3ccc(C(=O)Nc4ccccc4)cc3)C2)n1 ZINC000054676394 822904996 /nfs/dbraw/zinc/90/49/96/822904996.db2.gz JBDZLTOYJLILTB-IBGZPJMESA-N 1 0 376.460 4.010 20 0 GIADRO C[C@H](Sc1ccccc1)c1ccc(NC(=O)N2CCN(CCO)C[C@H]2C)cc1 ZINC000569311238 822905754 /nfs/dbraw/zinc/90/57/54/822905754.db2.gz SOLKHXRIMHVZST-MSOLQXFVSA-N 1 0 399.560 4.070 20 0 GIADRO CC[N@H+](CCC1CCN(C(=O)c2cc(Br)co2)CC1)CC1CC1 ZINC000457688602 822906817 /nfs/dbraw/zinc/90/68/17/822906817.db2.gz HSQPONUYMFYVFE-UHFFFAOYSA-N 1 0 383.330 4.016 20 0 GIADRO O=C(Cc1ccccc1OC1CCCC1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000457690342 822907103 /nfs/dbraw/zinc/90/71/03/822907103.db2.gz XIXZTUZAMSEACR-KNQAVFIVSA-N 1 0 382.548 4.026 20 0 GIADRO C[C@@H](NC(=O)Cc1ccccc1OC1CCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000457694761 822907854 /nfs/dbraw/zinc/90/78/54/822907854.db2.gz JERGSKPIUANWSH-UYAOXDASSA-N 1 0 384.564 4.320 20 0 GIADRO O=C(Nc1ccc(Oc2cccnc2)cc1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000569327687 822907977 /nfs/dbraw/zinc/90/79/77/822907977.db2.gz OFZZOIRTOYQPJB-GOSISDBHSA-N 1 0 383.517 4.030 20 0 GIADRO Cc1cc(Br)c(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)s1 ZINC000457702869 822908600 /nfs/dbraw/zinc/90/86/00/822908600.db2.gz RTVOICVFYRHAIM-CHWSQXEVSA-N 1 0 385.371 4.202 20 0 GIADRO COc1cccc([C@@H](CNC(=O)N[C@@H](C)c2ccc(C)s2)[NH+]2CCCC2)c1 ZINC000054732089 822908618 /nfs/dbraw/zinc/90/86/18/822908618.db2.gz HUKIZYDZPQZEFL-QFBILLFUSA-N 1 0 387.549 4.262 20 0 GIADRO COc1ccccc1-c1ccc([C@H](C)NC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000569333941 822908658 /nfs/dbraw/zinc/90/86/58/822908658.db2.gz IOFKJXCYBPSZSR-GUMYABAYSA-N 1 0 393.531 4.192 20 0 GIADRO COc1ccc([C@@H](CNC(=O)N[C@H](C)c2ccc(C)s2)[NH+]2CCCC2)cc1 ZINC000054733066 822908808 /nfs/dbraw/zinc/90/88/08/822908808.db2.gz QVSYBFCFNWSSKU-VQIMIIECSA-N 1 0 387.549 4.262 20 0 GIADRO COc1ccc(C[C@@H]([NH2+][C@H](CCO)c2ccco2)c2ccc(OC)cc2)cc1 ZINC000186534971 822909912 /nfs/dbraw/zinc/90/99/12/822909912.db2.gz LJOMFUKWCVWUSV-FGZHOGPDSA-N 1 0 381.472 4.294 20 0 GIADRO Cn1c(NC(=O)c2oc3ccccc3c2C[NH+](C)C)nc2cccc(Cl)c21 ZINC000186535803 822910122 /nfs/dbraw/zinc/91/01/22/822910122.db2.gz AOETYJLIFMWZLY-UHFFFAOYSA-N 1 0 382.851 4.287 20 0 GIADRO COc1ccc2c(c1)nc(C[NH2+][C@@H](C)[C@@H](C)c1nc3ccccc3s1)n2C ZINC000186538553 822910541 /nfs/dbraw/zinc/91/05/41/822910541.db2.gz CMZDREUVAFTELB-KGLIPLIRSA-N 1 0 380.517 4.473 20 0 GIADRO O=C(c1ccc(Cl)cc1)C1CC[NH+](C[C@@H]2CN(c3ccccc3)CCO2)CC1 ZINC000569351390 822910587 /nfs/dbraw/zinc/91/05/87/822910587.db2.gz BSFDIWCDHMMHHL-JOCHJYFZSA-N 1 0 398.934 4.140 20 0 GIADRO COc1cc([C@H](C)[NH2+]Cc2cc3ccccc3n(C)c2=O)ccc1OC(C)C ZINC000569375498 822912930 /nfs/dbraw/zinc/91/29/30/822912930.db2.gz VHIQMDNEEDITLE-INIZCTEOSA-N 1 0 380.488 4.185 20 0 GIADRO CCC[NH+]1CCN(c2ccc(NC(=O)c3[nH]ccc3C3CC3)c(OCC)c2)CC1 ZINC000457741394 822913199 /nfs/dbraw/zinc/91/31/99/822913199.db2.gz ULCJUQKRLKNKSL-UHFFFAOYSA-N 1 0 396.535 4.075 20 0 GIADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)c1ccc(Br)cc1C)c1ccco1 ZINC000569378900 822913178 /nfs/dbraw/zinc/91/31/78/822913178.db2.gz GPUUIUFUHYYPOS-BBRMVZONSA-N 1 0 379.298 4.210 20 0 GIADRO Cc1[nH]c(=S)sc1CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000054794190 822913456 /nfs/dbraw/zinc/91/34/56/822913456.db2.gz WKDUEJWQYHHQOX-CYBMUJFWSA-N 1 0 375.563 4.153 20 0 GIADRO COC(=O)c1cc2cc(C[NH2+]C(C)(C)c3nc4ccccc4n3C)ccc2o1 ZINC000186564261 822913862 /nfs/dbraw/zinc/91/38/62/822913862.db2.gz KZUOHZXUUQPQEP-UHFFFAOYSA-N 1 0 377.444 4.131 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000457750142 822914331 /nfs/dbraw/zinc/91/43/31/822914331.db2.gz VJIHOVRJCBYFLU-GHTZIAJQSA-N 1 0 397.567 4.454 20 0 GIADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)C1 ZINC000054805939 822914367 /nfs/dbraw/zinc/91/43/67/822914367.db2.gz DQMXOJYICRAZST-MSOLQXFVSA-N 1 0 398.551 4.227 20 0 GIADRO O=C(C[C@H]1CCCc2ccccc21)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000186568905 822914906 /nfs/dbraw/zinc/91/49/06/822914906.db2.gz KEZZLGNNAWLPIL-IRLDBZIGSA-N 1 0 377.532 4.063 20 0 GIADRO CC[C@@H](NC(=O)c1ccccc1)c1noc(-c2ccc(C[NH+](CC)CC)cc2)n1 ZINC000569390880 822915360 /nfs/dbraw/zinc/91/53/60/822915360.db2.gz ZBQDHKCJZNHUDB-HXUWFJFHSA-N 1 0 392.503 4.460 20 0 GIADRO Cc1cc(Br)c(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000457764285 822916464 /nfs/dbraw/zinc/91/64/64/822916464.db2.gz LJSVEGCEZWWMQA-OAHLLOKOSA-N 1 0 393.350 4.071 20 0 GIADRO Fc1ccc([C@H](C[NH2+]CC2CCC(C(F)(F)F)CC2)N2CCOCC2)cc1 ZINC000186578348 822916657 /nfs/dbraw/zinc/91/66/57/822916657.db2.gz BUXSRIMRTYBNLP-KVWWFHCMSA-N 1 0 388.449 4.157 20 0 GIADRO Cc1cc(C[NH+]2CCC(NC(=O)c3ccccc3)CC2)c(O)c(C(C)(C)C)c1 ZINC000054846070 822917678 /nfs/dbraw/zinc/91/76/78/822917678.db2.gz SLHNEUFAWLINTI-UHFFFAOYSA-N 1 0 380.532 4.393 20 0 GIADRO FC(F)(F)COCc1ccc(C[NH2+]Cc2cncc(Br)c2)cc1 ZINC000186585502 822917813 /nfs/dbraw/zinc/91/78/13/822917813.db2.gz NTNDITBHVBTKOW-UHFFFAOYSA-N 1 0 389.215 4.213 20 0 GIADRO O=C(c1ccccc1F)N1CCC([NH2+]CC2CCC(C(F)(F)F)CC2)CC1 ZINC000186589363 822918607 /nfs/dbraw/zinc/91/86/07/822918607.db2.gz AYELMUXMSBJHQL-UHFFFAOYSA-N 1 0 386.433 4.389 20 0 GIADRO C[C@H](CC(F)(F)F)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000457784086 822918993 /nfs/dbraw/zinc/91/89/93/822918993.db2.gz GPLKZPIEPHWGGH-LSTHTHJFSA-N 1 0 390.449 4.359 20 0 GIADRO O=C(c1cc2cc(Cl)ccc2o1)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000186593488 822919767 /nfs/dbraw/zinc/91/97/67/822919767.db2.gz HLVNKQHUKANZGH-GOSISDBHSA-N 1 0 383.879 4.266 20 0 GIADRO O=C(c1cc2cc(Cl)ccc2o1)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000186593509 822919771 /nfs/dbraw/zinc/91/97/71/822919771.db2.gz HLVNKQHUKANZGH-SFHVURJKSA-N 1 0 383.879 4.266 20 0 GIADRO CC(C)[C@H](CNC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)c1ccccc1 ZINC000457794950 822920060 /nfs/dbraw/zinc/92/00/60/822920060.db2.gz FOUBIJDUVRJGBO-IBGZPJMESA-N 1 0 399.501 4.484 20 0 GIADRO Cc1cccc(OCCCCC(=O)N(Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c1 ZINC000186595495 822920356 /nfs/dbraw/zinc/92/03/56/822920356.db2.gz NLFAZGYODQQHGF-JOCHJYFZSA-N 1 0 395.547 4.110 20 0 GIADRO CCSCc1ccc(C(=O)N(Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000186595134 822920464 /nfs/dbraw/zinc/92/04/64/822920464.db2.gz SLYVZVHFIKPTAR-OAQYLSRUSA-N 1 0 383.561 4.119 20 0 GIADRO CCOc1cc(C)ccc1NC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000175273559 822921502 /nfs/dbraw/zinc/92/15/02/822921502.db2.gz UJARWJPSHBJZIU-FQEVSTJZSA-N 1 0 381.520 4.380 20 0 GIADRO O=C(Nc1ccc([C@H]2CCOC2)cc1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000569430858 822922121 /nfs/dbraw/zinc/92/21/21/822922121.db2.gz YHZWJJBSBJFIPA-NRFANRHFSA-N 1 0 393.531 4.019 20 0 GIADRO COc1cccc([C@H](CNC(=O)N[C@@H](C)c2cc3ccccc3o2)[NH+](C)C)c1 ZINC000054921432 822922357 /nfs/dbraw/zinc/92/23/57/822922357.db2.gz UJDHXXZCDHCRQE-KXBFYZLASA-N 1 0 381.476 4.105 20 0 GIADRO COc1ccc([C@H](NC(=O)NCc2ccccc2C[NH+]2CCCC2)C2CC2)cc1 ZINC000054924958 822922649 /nfs/dbraw/zinc/92/26/49/822922649.db2.gz RBHAJYAODMDWLJ-HSZRJFAPSA-N 1 0 393.531 4.242 20 0 GIADRO Cc1cc(Oc2ncccn2)ccc1NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000175283143 822923804 /nfs/dbraw/zinc/92/38/04/822923804.db2.gz JFUACCBJBLSQIE-UHFFFAOYSA-N 1 0 395.507 4.106 20 0 GIADRO COc1ccc([C@@H](C)NC(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1F ZINC000054953223 822924692 /nfs/dbraw/zinc/92/46/92/822924692.db2.gz BVXAKJCWYNPSKG-QGZVFWFLSA-N 1 0 399.510 4.381 20 0 GIADRO [NH3+][C@H](CCC(=O)N1CCC[C@H](c2nc3c(s2)CCCC3)C1)c1ccccc1 ZINC000569449200 822924835 /nfs/dbraw/zinc/92/48/35/822924835.db2.gz WFPUBWKEUBLZHH-ZWKOTPCHSA-N 1 0 383.561 4.208 20 0 GIADRO Cc1cc(OCc2ccccc2)c(C(=O)NC2CC[NH+](C3CCC3)CC2)s1 ZINC000457861686 822926150 /nfs/dbraw/zinc/92/61/50/822926150.db2.gz CFSPWYWJVFFOOM-UHFFFAOYSA-N 1 0 384.545 4.382 20 0 GIADRO Cc1cc(-c2noc([C@H](C)[N@@H+]3C[C@@H](c4cnn(C)c4)C(C)(C)C3)n2)ccc1F ZINC000569469383 822926784 /nfs/dbraw/zinc/92/67/84/822926784.db2.gz WNVMNPSBOBRDBF-YOEHRIQHSA-N 1 0 383.471 4.104 20 0 GIADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(C)(C)Cc1ccccc1 ZINC000175295517 822927333 /nfs/dbraw/zinc/92/73/33/822927333.db2.gz QKQIDTUBYYYKIY-UHFFFAOYSA-N 1 0 395.547 4.045 20 0 GIADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(C)(C)c1ccccc1C ZINC000175297813 822927794 /nfs/dbraw/zinc/92/77/94/822927794.db2.gz FTLYCBPTKNPKHQ-UHFFFAOYSA-N 1 0 395.547 4.062 20 0 GIADRO Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@H](c2cnn(C)c2)c2ccc(F)cc2)c1C ZINC000186640098 822928145 /nfs/dbraw/zinc/92/81/45/822928145.db2.gz UOTZFCJNKCSUGE-MWTRTKDXSA-N 1 0 394.494 4.272 20 0 GIADRO O=C(CC[N@@H+]1CC[C@@]2(C1)OCc1ccccc12)Nc1cccc(C(F)(F)F)c1 ZINC000186642649 822928252 /nfs/dbraw/zinc/92/82/52/822928252.db2.gz YLIBXTULESARQY-FQEVSTJZSA-N 1 0 390.405 4.165 20 0 GIADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C[C@H](C)c1cccc(F)c1 ZINC000175299380 822928696 /nfs/dbraw/zinc/92/86/96/822928696.db2.gz XOKDAPNOCJHSLI-KRWDZBQOSA-N 1 0 399.510 4.109 20 0 GIADRO CC(=O)c1cccc(OC[C@@H](O)C[NH2+]C(C)(C)c2cccc(C(F)(F)F)c2)c1 ZINC000569497029 822929961 /nfs/dbraw/zinc/92/99/61/822929961.db2.gz FLHQCFVHTPLEIQ-SFHVURJKSA-N 1 0 395.421 4.173 20 0 GIADRO C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+]C1CCC(S(C)(=O)=O)CC1 ZINC000569499538 822930117 /nfs/dbraw/zinc/93/01/17/822930117.db2.gz WKKOSRLROKEDCE-JLHYYAGUSA-N 1 0 375.456 4.054 20 0 GIADRO O=C(N[C@@H](C1CC1)C(F)(F)F)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000569500985 822930409 /nfs/dbraw/zinc/93/04/09/822930409.db2.gz GCCIMNSBWHTEQS-SFHVURJKSA-N 1 0 395.469 4.025 20 0 GIADRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)Nc1ccnc(Oc2ccc(F)cc2F)c1 ZINC000569514281 822932582 /nfs/dbraw/zinc/93/25/82/822932582.db2.gz WQMNZBFRSACVHD-CYBMUJFWSA-N 1 0 378.423 4.002 20 0 GIADRO CSC1(CNC(=O)c2ccc(-c3ccc(C)cc3)cc2F)CC[NH+](C)CC1 ZINC000569515068 822932822 /nfs/dbraw/zinc/93/28/22/822932822.db2.gz DRNDOGIPUHQIFY-UHFFFAOYSA-N 1 0 386.536 4.358 20 0 GIADRO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]Cc2cscc2C(F)(F)F)cc1 ZINC000569515380 822932824 /nfs/dbraw/zinc/93/28/24/822932824.db2.gz GNEJEJLEPYYDLB-LBPRGKRZSA-N 1 0 377.453 4.027 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)CCc1ccc(-c2ccccc2)[nH]1)c1cccc(F)c1 ZINC000055039119 822933232 /nfs/dbraw/zinc/93/32/32/822933232.db2.gz RIWDSZRXICNBJQ-JOCHJYFZSA-N 1 0 379.479 4.173 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)N(C)[C@H](C)c1cccs1)[NH+]1CCCC1 ZINC000055044793 822933891 /nfs/dbraw/zinc/93/38/91/822933891.db2.gz RRFKUGKOLPDZGZ-AEFFLSMTSA-N 1 0 387.549 4.296 20 0 GIADRO CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000186670018 822933868 /nfs/dbraw/zinc/93/38/68/822933868.db2.gz XORWIZQNVQJNQV-QHCPKHFHSA-N 1 0 377.440 4.241 20 0 GIADRO Cc1nc(CNC(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)sc1C ZINC000175330716 822937082 /nfs/dbraw/zinc/93/70/82/822937082.db2.gz DYTVJGQMUICFKE-UHFFFAOYSA-N 1 0 379.529 4.322 20 0 GIADRO Cc1ccccc1[C@@H](CO)[NH2+]CC(=O)N1c2ccccc2CCc2ccccc21 ZINC000569541237 822937227 /nfs/dbraw/zinc/93/72/27/822937227.db2.gz VJWYLYSAVDFZQX-JOCHJYFZSA-N 1 0 386.495 4.082 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccc3c(c2)COC(C)(C)O3)C1)C(=O)OC(C)(C)C ZINC000186688480 822937694 /nfs/dbraw/zinc/93/76/94/822937694.db2.gz NTWFBQOGSCDSHP-QGZVFWFLSA-N 1 0 390.524 4.021 20 0 GIADRO CCOc1cc(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)cc(Cl)c1O ZINC000186688884 822937781 /nfs/dbraw/zinc/93/77/81/822937781.db2.gz YSSPGPGFNJAMQW-UHFFFAOYSA-N 1 0 388.895 4.335 20 0 GIADRO CCn1cc(NC(=O)N2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000569546913 822938355 /nfs/dbraw/zinc/93/83/55/822938355.db2.gz ASBNOXAZQJKGMY-OAQYLSRUSA-N 1 0 395.551 4.058 20 0 GIADRO C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000055103010 822938479 /nfs/dbraw/zinc/93/84/79/822938479.db2.gz CDMGDJMEHCQQQO-CQSZACIVSA-N 1 0 390.430 4.200 20 0 GIADRO CC(C)(C)c1cc(NC(=O)NC2CC[NH+](C3CCCC3)CC2)n(C(C)(C)C)n1 ZINC000175337503 822939126 /nfs/dbraw/zinc/93/91/26/822939126.db2.gz NSXICWXPLUWHFP-UHFFFAOYSA-N 1 0 389.588 4.464 20 0 GIADRO CCOc1ccc2c(c1)[C@H]([NH2+]C1CCC3(CC1)C(=O)Nc1ccccc13)CCO2 ZINC000186696383 822939379 /nfs/dbraw/zinc/93/93/79/822939379.db2.gz URGYPDKHEJRJBX-HYSRAYMDSA-N 1 0 392.499 4.331 20 0 GIADRO CC1CC[NH+](Cc2ccccc2CNC(=O)NC[C@@H]2CCOC3(CCC3)C2)CC1 ZINC000569559930 822939949 /nfs/dbraw/zinc/93/99/49/822939949.db2.gz HEVDJHSWAYEFSC-HXUWFJFHSA-N 1 0 399.579 4.067 20 0 GIADRO CC(=O)Nc1ccc(C[NH2+][C@H](C)Cc2ccc(F)cc2Br)cc1 ZINC000569562970 822940476 /nfs/dbraw/zinc/94/04/76/822940476.db2.gz RKKGGACYRTUDET-GFCCVEGCSA-N 1 0 379.273 4.267 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000457941200 822941241 /nfs/dbraw/zinc/94/12/41/822941241.db2.gz MNVQLPGLMNLORD-GOSISDBHSA-N 1 0 377.941 4.162 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccccc2OC(C)C)c1 ZINC000055151895 822941284 /nfs/dbraw/zinc/94/12/84/822941284.db2.gz ZBPUUYYIXRHOOW-JKSUJKDBSA-N 1 0 383.492 4.110 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)N[C@H]1CCc2c1cccc2Cl ZINC000457950091 822942898 /nfs/dbraw/zinc/94/28/98/822942898.db2.gz WVAVBJPKSGSOKF-SFHVURJKSA-N 1 0 377.941 4.162 20 0 GIADRO COc1ccc([C@@H](Nc2cccc(N3CCCCC3=O)c2)[C@H]2CCC[NH2+]2)cc1 ZINC000569591845 822943067 /nfs/dbraw/zinc/94/30/67/822943067.db2.gz BBJCFPANVFXULY-FYYLOGMGSA-N 1 0 379.504 4.117 20 0 GIADRO COc1cccc(N2CC[C@H](C[NH2+][C@H](C)c3ccc(OC)c(OC)c3C)C2)c1 ZINC000569600024 822943521 /nfs/dbraw/zinc/94/35/21/822943521.db2.gz WCQFOZNPPAKTOU-QZTJIDSGSA-N 1 0 384.520 4.198 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)N(C)CC2(c3ccccc3)CC2)CC1 ZINC000186728040 822945896 /nfs/dbraw/zinc/94/58/96/822945896.db2.gz BTFLSUWOPLMZDF-UHFFFAOYSA-N 1 0 392.547 4.024 20 0 GIADRO COc1ccc(C[N@@H+]2CCCN(C(=O)CCc3ccc([C@@H]4C[C@H]4C)o3)CC2)cc1 ZINC000055209910 822945952 /nfs/dbraw/zinc/94/59/52/822945952.db2.gz NINMCTBGDLQVRC-XMSQKQJNSA-N 1 0 396.531 4.079 20 0 GIADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@H](C)c1nccs1 ZINC000186728472 822945979 /nfs/dbraw/zinc/94/59/79/822945979.db2.gz YOOIAMUKKWXHOW-NWDGAFQWSA-N 1 0 382.327 4.016 20 0 GIADRO COc1cc(C)c(NC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1F ZINC000186734317 822946973 /nfs/dbraw/zinc/94/69/73/822946973.db2.gz SAOPOZZPVZEGHT-OAHLLOKOSA-N 1 0 391.512 4.238 20 0 GIADRO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@H](C)c1nccs1 ZINC000186743048 822948613 /nfs/dbraw/zinc/94/86/13/822948613.db2.gz MMZIXGCTZVIZQE-NWDGAFQWSA-N 1 0 387.427 4.152 20 0 GIADRO COc1ccc(C[NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)c(C)c1OC ZINC000569643902 822949339 /nfs/dbraw/zinc/94/93/39/822949339.db2.gz RPRFHVHHXRRIQO-UHFFFAOYSA-N 1 0 390.474 4.045 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)NC(C)(C)c1ncc(C)s1)c1ccsc1 ZINC000175371568 822949767 /nfs/dbraw/zinc/94/97/67/822949767.db2.gz NPKXBKVNLJMSEC-HNNXBMFYSA-N 1 0 380.583 4.130 20 0 GIADRO CC[NH+]1CCN(c2ccc(-c3noc(-c4cccc5ccsc54)n3)cn2)CC1 ZINC000569648319 822949941 /nfs/dbraw/zinc/94/99/41/822949941.db2.gz JUWHYOIDUQLGDV-UHFFFAOYSA-N 1 0 391.500 4.155 20 0 GIADRO CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2cc(Cl)ccc2Cl)cc1 ZINC000186754516 822950309 /nfs/dbraw/zinc/95/03/09/822950309.db2.gz UGHBFFZNFXKMMW-LRDDRELGSA-N 1 0 397.302 4.042 20 0 GIADRO CC[NH+](CC)CCOc1cc(NC(=O)N2CCCC[C@@H](C)C2)ccc1OC ZINC000186774903 822953177 /nfs/dbraw/zinc/95/31/77/822953177.db2.gz WAQKJISYNOXJJC-QGZVFWFLSA-N 1 0 377.529 4.070 20 0 GIADRO COC(=O)c1coc([C@@H](C)[NH2+]Cc2cccc(Cn3cnc4ccccc43)c2)c1 ZINC000569671929 822953284 /nfs/dbraw/zinc/95/32/84/822953284.db2.gz UGSZUCHTTGZRFV-MRXNPFEDSA-N 1 0 389.455 4.315 20 0 GIADRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)[C@H](C)c2ccc(OC)cc2)cc1 ZINC000569675172 822953804 /nfs/dbraw/zinc/95/38/04/822953804.db2.gz UCGVRKRMEXIFQZ-BBWFWOEESA-N 1 0 375.534 4.332 20 0 GIADRO COc1cccc([C@H]2C[C@H](NC(=O)c3oc4ccccc4c3C[NH+](C)C)C2)c1 ZINC000569682341 822954934 /nfs/dbraw/zinc/95/49/34/822954934.db2.gz CTICLJZLUOASNP-QAQDUYKDSA-N 1 0 378.472 4.179 20 0 GIADRO C[C@@H](NCc1nnc(C2CC[NH2+]CC2)[nH]1)c1cc2c(ccc3ccccc23)o1 ZINC000569687276 822955430 /nfs/dbraw/zinc/95/54/30/822955430.db2.gz YLWOOUCLMBQAQN-CQSZACIVSA-N 1 0 375.476 4.022 20 0 GIADRO COc1cncc(/C=C/CC[NH2+][C@H]2CCN(Cc3ccccc3)CC2(C)C)c1 ZINC000569689991 822955714 /nfs/dbraw/zinc/95/57/14/822955714.db2.gz CZHXFBMIZQSDHJ-BVRWQAIYSA-N 1 0 379.548 4.384 20 0 GIADRO Cc1cc(F)ccc1-c1ccc(C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)cc1F ZINC000569690557 822955723 /nfs/dbraw/zinc/95/57/23/822955723.db2.gz GHSQHOQWQIKGLX-SFHVURJKSA-N 1 0 384.470 4.402 20 0 GIADRO CC[C@H](C(=O)Nc1ccc(NC[C@H]2CCCO2)c(F)c1)[N@H+](C)Cc1ccccc1 ZINC000569703304 822956931 /nfs/dbraw/zinc/95/69/31/822956931.db2.gz SEBVKZGFAXWSHL-DENIHFKCSA-N 1 0 399.510 4.266 20 0 GIADRO C[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2C2CC2)CC[N@@H+](C2CCC2)C1 ZINC000569704448 822956950 /nfs/dbraw/zinc/95/69/50/822956950.db2.gz LVCYOBITUCCPEY-INIZCTEOSA-N 1 0 399.970 4.168 20 0 GIADRO O=C1CCCN1[C@@H]1CCC[C@@H]([NH2+][C@@H](c2cc3ccccc3o2)c2cccnc2)C1 ZINC000569709642 822957849 /nfs/dbraw/zinc/95/78/49/822957849.db2.gz GCHVJDPUKULZOK-YOSAUDMPSA-N 1 0 389.499 4.440 20 0 GIADRO CCC[NH+]1CCC(CNC(=O)Nc2cccc(Br)c2Cl)CC1 ZINC000569711138 822957894 /nfs/dbraw/zinc/95/78/94/822957894.db2.gz OKXPPJGYGMAPAQ-UHFFFAOYSA-N 1 0 388.737 4.346 20 0 GIADRO Cc1cc(CSc2ccccc2C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)on1 ZINC000055404635 822958111 /nfs/dbraw/zinc/95/81/11/822958111.db2.gz ACNZCAQTRQZFLL-DOTOQJQBSA-N 1 0 387.549 4.126 20 0 GIADRO C[C@H](CC(=O)N1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1)C1CC[NH2+]CC1 ZINC000569721363 822958812 /nfs/dbraw/zinc/95/88/12/822958812.db2.gz ONTPIGRQQBDLJN-DYESRHJHSA-N 1 0 380.536 4.156 20 0 GIADRO C[NH+](C)C[C@H](NC(=O)c1coc(-c2ccccc2Cl)n1)c1ccc(F)cc1 ZINC000569729136 822959722 /nfs/dbraw/zinc/95/97/22/822959722.db2.gz BYZHPMRAJOLVEX-KRWDZBQOSA-N 1 0 387.842 4.167 20 0 GIADRO Cc1nc(C[N@@H+]2CCSC3(CCOCC3)C2)oc1-c1ccc(Cl)cc1 ZINC000186819748 822960836 /nfs/dbraw/zinc/96/08/36/822960836.db2.gz YOJOWYBVMDCYJP-UHFFFAOYSA-N 1 0 378.925 4.401 20 0 GIADRO COc1cccc(Oc2ccc(NC(=O)N(C)C[C@H]3CCC[N@H+](C)C3)cc2)c1 ZINC000175407977 822961559 /nfs/dbraw/zinc/96/15/59/822961559.db2.gz AFLJHLRHIKWOPC-KRWDZBQOSA-N 1 0 383.492 4.293 20 0 GIADRO COc1ccc(CN2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(C)c1OC ZINC000569741583 822961747 /nfs/dbraw/zinc/96/17/47/822961747.db2.gz QCCMZFGGOGHLHM-DEOSSOPVSA-N 1 0 380.532 4.110 20 0 GIADRO C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]Cc1noc2ccccc12 ZINC000569743241 822962114 /nfs/dbraw/zinc/96/21/14/822962114.db2.gz HZRWCVLTMQMVHC-LBPRGKRZSA-N 1 0 377.366 4.354 20 0 GIADRO C[NH+](C)Cc1c2ccccc2oc1C(=O)Nc1n[nH]c(-c2ccccc2Cl)n1 ZINC000175413635 822963007 /nfs/dbraw/zinc/96/30/07/822963007.db2.gz CSCUUPFIMBUUHE-UHFFFAOYSA-N 1 0 395.850 4.185 20 0 GIADRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2cc(NC(=O)CC(C)(C)C)ccc2Cl)C1 ZINC000458156989 822963436 /nfs/dbraw/zinc/96/34/36/822963436.db2.gz BYYDLBOGNKPHCR-HNNXBMFYSA-N 1 0 393.959 4.176 20 0 GIADRO C[N@@H+]1CCC[C@H](CCNC(=O)[C@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)C1 ZINC000458170628 822964886 /nfs/dbraw/zinc/96/48/86/822964886.db2.gz PGXPALZMYCBTIK-YGOYIFOWSA-N 1 0 392.543 4.217 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)NCC2(c3ccc(F)cc3)CCOCC2)cc1 ZINC000055454620 822964971 /nfs/dbraw/zinc/96/49/71/822964971.db2.gz NXAFUZDVKVHEMZ-UHFFFAOYSA-N 1 0 398.522 4.146 20 0 GIADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@@H](c1ccccc1)C(F)(F)F ZINC000186840280 822965294 /nfs/dbraw/zinc/96/52/94/822965294.db2.gz RUNUYZMTRNQJIJ-OCCSQVGLSA-N 1 0 385.817 4.388 20 0 GIADRO COc1cc(C)c(NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1F ZINC000186844006 822966196 /nfs/dbraw/zinc/96/61/96/822966196.db2.gz FSUITWXSYWZKDU-UHFFFAOYSA-N 1 0 389.446 4.068 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000186852490 822967862 /nfs/dbraw/zinc/96/78/62/822967862.db2.gz NVXGTMGYOOBVLC-FQEVSTJZSA-N 1 0 399.498 4.180 20 0 GIADRO O=C(c1ccc(C[NH2+]Cc2ccc(F)c(Br)c2)cc1)N1CCCC1 ZINC000055472619 822967844 /nfs/dbraw/zinc/96/78/44/822967844.db2.gz VSBPSZNMOLEXFK-UHFFFAOYSA-N 1 0 391.284 4.114 20 0 GIADRO Cc1ccc(C(=O)Nc2ccc(OCC[NH+](C)C)c(C)c2)c(Br)c1 ZINC000458200140 822967946 /nfs/dbraw/zinc/96/79/46/822967946.db2.gz SASUISHMNHLCJN-UHFFFAOYSA-N 1 0 391.309 4.259 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)Nc2ccc(OC3CCCC3)c(F)c2)CC1 ZINC000175435122 822968412 /nfs/dbraw/zinc/96/84/12/822968412.db2.gz PHUFIVSQZQKPDV-UHFFFAOYSA-N 1 0 377.504 4.485 20 0 GIADRO C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@H+](C)Cc1csc(CC(=O)N(C)C)n1 ZINC000175436178 822968680 /nfs/dbraw/zinc/96/86/80/822968680.db2.gz MLNLZYGSDBUQEJ-UONOGXRCSA-N 1 0 379.957 4.051 20 0 GIADRO CC(C)c1c(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)cnn1-c1ccccc1Cl ZINC000458208000 822968752 /nfs/dbraw/zinc/96/87/52/822968752.db2.gz JLFXWLYLKIEXGN-INIZCTEOSA-N 1 0 388.943 4.111 20 0 GIADRO CCc1ccc([C@@H]2CCN(C(=O)Nc3cc(C)nn3C3CC[NH+](C)CC3)C2)cc1 ZINC000569786145 822968853 /nfs/dbraw/zinc/96/88/53/822968853.db2.gz JXWOZFIOSJMYMH-HXUWFJFHSA-N 1 0 395.551 4.042 20 0 GIADRO CCN(C(=O)Nc1cc(F)c(OC)cc1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186859607 822969407 /nfs/dbraw/zinc/96/94/07/822969407.db2.gz IFVYTSPPSYLQGJ-GOSISDBHSA-N 1 0 385.483 4.271 20 0 GIADRO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+][C@H]2CCO[C@H](c3ccc(F)cc3)C2)c1 ZINC000569805045 822971429 /nfs/dbraw/zinc/97/14/29/822971429.db2.gz XIGPQTWNOUKVDO-NSHGMRRFSA-N 1 0 393.886 4.037 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)CC(Cc2ccccc2)Cc2ccccc2)C1 ZINC000175452106 822972344 /nfs/dbraw/zinc/97/23/44/822972344.db2.gz BLXSZLUHBHKZFU-HSZRJFAPSA-N 1 0 378.560 4.278 20 0 GIADRO C[C@H]([NH2+]C[C@@H](C1CC1)N(C)Cc1ccccc1)c1ccc(N2CCOC2=O)cc1 ZINC000186876648 822972847 /nfs/dbraw/zinc/97/28/47/822972847.db2.gz OCPQLMOYFLHZES-MBSDFSHPSA-N 1 0 393.531 4.204 20 0 GIADRO CN(Cc1cc2ccccc2o1)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000175457518 822973883 /nfs/dbraw/zinc/97/38/83/822973883.db2.gz ZJUXZOMENHTVQA-UHFFFAOYSA-N 1 0 395.503 4.105 20 0 GIADRO CCCCOc1ccc([C@H](C)[NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)cc1 ZINC000569832891 822973970 /nfs/dbraw/zinc/97/39/70/822973970.db2.gz UFEMOYXBXZMKPZ-KRWDZBQOSA-N 1 0 396.597 4.109 20 0 GIADRO CC(C)(C[NH2+]C[C@H](O)COC(c1ccccc1)c1ccccc1)c1cccnc1 ZINC000569837275 822974433 /nfs/dbraw/zinc/97/44/33/822974433.db2.gz LCQWGIDXFPXPDL-QHCPKHFHSA-N 1 0 390.527 4.116 20 0 GIADRO CCCC[C@@H]1CCC[C@@H]1NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458260636 822974816 /nfs/dbraw/zinc/97/48/16/822974816.db2.gz WKEUFWFPAQABIP-WBVHZDCISA-N 1 0 377.495 4.404 20 0 GIADRO COc1cc(C[NH2+][C@H]2CCC[C@H](SC)C2)cc(OC)c1OCC(F)F ZINC000569847050 822975650 /nfs/dbraw/zinc/97/56/50/822975650.db2.gz VLGLJUOQZQABQO-KBPBESRZSA-N 1 0 375.481 4.112 20 0 GIADRO CC(C)c1[nH+]c(CN[C@H](C)c2nc(-c3cccc(F)c3)no2)c2ccccn21 ZINC000569854445 822976110 /nfs/dbraw/zinc/97/61/10/822976110.db2.gz SEDIVQRBQMZYIJ-CQSZACIVSA-N 1 0 379.439 4.498 20 0 GIADRO CSCc1cccc(CNC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000186895983 822976295 /nfs/dbraw/zinc/97/62/95/822976295.db2.gz XVSZDUWADDHYFC-QFIPXVFZSA-N 1 0 397.588 4.213 20 0 GIADRO Cc1cc(NC(=O)C2(Cc3cccc(F)c3)CCOCC2)ccc1C[NH+](C)C ZINC000458273712 822976670 /nfs/dbraw/zinc/97/66/70/822976670.db2.gz XCSFQELFEGUDLJ-UHFFFAOYSA-N 1 0 384.495 4.174 20 0 GIADRO CO[C@@H](C)[C@@H](C)[NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C(C)C ZINC000569866209 822978402 /nfs/dbraw/zinc/97/84/02/822978402.db2.gz CFZSSQWQVDIJOA-KGLIPLIRSA-N 1 0 380.330 4.271 20 0 GIADRO CC[C@@H](Oc1ccccc1F)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000175480562 822978999 /nfs/dbraw/zinc/97/89/99/822978999.db2.gz VVRMFKHOFVJPOC-VQIMIIECSA-N 1 0 390.524 4.073 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[N@@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000186921958 822980689 /nfs/dbraw/zinc/98/06/89/822980689.db2.gz VMOUPLWOQLEGTG-QGZVFWFLSA-N 1 0 397.519 4.104 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH+]1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000186924494 822980964 /nfs/dbraw/zinc/98/09/64/822980964.db2.gz PSRFXCAHLDPCQR-GOSISDBHSA-N 1 0 395.547 4.130 20 0 GIADRO Cc1cc(NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)ccc1C[NH+](C)C ZINC000458315498 822982529 /nfs/dbraw/zinc/98/25/29/822982529.db2.gz LEGRHQOHKIRKLU-UHFFFAOYSA-N 1 0 398.894 4.331 20 0 GIADRO COc1ccc2oc([C@@H](C)NC(=O)NC(C)(C)CCC[NH+](C)C)c(C)c2c1 ZINC000458323788 822983312 /nfs/dbraw/zinc/98/33/12/822983312.db2.gz QIBXFZFRKIZAET-OAHLLOKOSA-N 1 0 375.513 4.230 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)Nc2ccc(F)cc2N2CCOCC2)cc1)C(C)C ZINC000458326217 822983543 /nfs/dbraw/zinc/98/35/43/822983543.db2.gz UYQXMLDQOCIRPR-UHFFFAOYSA-N 1 0 399.510 4.145 20 0 GIADRO CC(C)Sc1ccc([C@@H](C)NC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000458331153 822984072 /nfs/dbraw/zinc/98/40/72/822984072.db2.gz ZMMGYLKTBTZFFR-UTKZUKDTSA-N 1 0 375.582 4.375 20 0 GIADRO CC(C)CC[NH+]1CCC(CNC(=O)N[C@@H](c2ccccc2)c2ccncc2)CC1 ZINC000175499603 822984337 /nfs/dbraw/zinc/98/43/37/822984337.db2.gz JOXSYWZOLDIALD-QHCPKHFHSA-N 1 0 394.563 4.228 20 0 GIADRO Brc1ccn2cc(C[NH2+][C@H]3CCOC4(CCCCC4)C3)nc2c1 ZINC000569916512 822985524 /nfs/dbraw/zinc/98/55/24/822985524.db2.gz MELQQCOLFMVJGM-HNNXBMFYSA-N 1 0 378.314 4.068 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCC[C@H](C(F)(F)F)C2)[C@@H]1c1cccs1 ZINC000175507475 822986010 /nfs/dbraw/zinc/98/60/10/822986010.db2.gz QQJOUWBLCCZPSC-IJEWVQPXSA-N 1 0 389.487 4.115 20 0 GIADRO CCN(C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)[C@@H](C)c1cccnc1 ZINC000175512789 822987713 /nfs/dbraw/zinc/98/77/13/822987713.db2.gz XSINNKGEPUEBAD-QRFRQXIXSA-N 1 0 386.565 4.319 20 0 GIADRO COc1ccccc1[C@@H](NC(=O)NC(C)(C)CCC[NH+](C)C)c1ccccc1 ZINC000458368389 822987945 /nfs/dbraw/zinc/98/79/45/822987945.db2.gz ZHIDPCNBVRESGW-NRFANRHFSA-N 1 0 383.536 4.204 20 0 GIADRO C[C@H]([NH2+]C(C)(C)CNC(=O)NCc1cccc(C(F)(F)F)n1)c1ccccc1 ZINC000458369000 822987998 /nfs/dbraw/zinc/98/79/98/822987998.db2.gz JFVQJSJDHBMBFQ-AWEZNQCLSA-N 1 0 394.441 4.029 20 0 GIADRO C[C@@H](NCCC[N@@H+]1CCc2ccccc2C1)c1ncc(Br)cc1F ZINC000186965322 822988614 /nfs/dbraw/zinc/98/86/14/822988614.db2.gz PFAMORNIUDQIHG-CQSZACIVSA-N 1 0 392.316 4.082 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)NCCc2ccc(Cl)cc2)CC1 ZINC000175520489 822990014 /nfs/dbraw/zinc/99/00/14/822990014.db2.gz QYHNJAZPIFSAQY-UHFFFAOYSA-N 1 0 385.939 4.189 20 0 GIADRO Cc1cc(Br)cc([C@@H](C)[NH2+]Cc2cnn(-c3ccccc3)c2)c1O ZINC000186976534 822990766 /nfs/dbraw/zinc/99/07/66/822990766.db2.gz CFODHRSKNKTCPM-CQSZACIVSA-N 1 0 386.293 4.500 20 0 GIADRO C[C@@H]([NH2+]CCc1ccc(-n2cccn2)cc1)c1ncc(Br)cc1F ZINC000186976634 822990800 /nfs/dbraw/zinc/99/08/00/822990800.db2.gz QTQDZYAHADFYBD-CYBMUJFWSA-N 1 0 389.272 4.062 20 0 GIADRO CN(c1ccccc1)C1CCN(C(=O)c2oc3ccccc3c2C[NH+](C)C)CC1 ZINC000175528159 822991294 /nfs/dbraw/zinc/99/12/94/822991294.db2.gz DTYZUFGLMPTZPV-UHFFFAOYSA-N 1 0 391.515 4.235 20 0 GIADRO CN(C(=O)NC1CC[NH+](C)CC1)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000175532544 822992154 /nfs/dbraw/zinc/99/21/54/822992154.db2.gz KJAXKWNNSGWNKW-HXUWFJFHSA-N 1 0 389.902 4.304 20 0 GIADRO O=C(C[C@H]1C=CCC1)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000175533410 822992381 /nfs/dbraw/zinc/99/23/81/822992381.db2.gz WJLIQDWEBHAKKC-PKOBYXMFSA-N 1 0 380.454 4.256 20 0 GIADRO Cc1cc(Br)cc([C@@H](C)[NH2+]Cc2ccc(N3CCCC3)nc2)c1O ZINC000186986211 822992562 /nfs/dbraw/zinc/99/25/62/822992562.db2.gz LXTCMNJXUDIXAN-CQSZACIVSA-N 1 0 390.325 4.309 20 0 GIADRO Cc1ccoc1C(=O)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000175534699 822992645 /nfs/dbraw/zinc/99/26/45/822992645.db2.gz VDUAOOFYTFALEZ-KRWDZBQOSA-N 1 0 380.410 4.115 20 0 GIADRO CCc1nc(C)c([C@@H](C)N(C)C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)s1 ZINC000175535364 822992837 /nfs/dbraw/zinc/99/28/37/822992837.db2.gz BCWOTIUDHFADNX-SOLBZPMBSA-N 1 0 394.629 4.474 20 0 GIADRO COCCOc1ccc(C[NH2+][C@H](C)c2cc(Br)cc(C)c2O)cc1 ZINC000186998832 822994559 /nfs/dbraw/zinc/99/45/59/822994559.db2.gz KRNSBZUGNNZOCT-CQSZACIVSA-N 1 0 394.309 4.339 20 0 GIADRO CC(=O)NC1CCC([N@H+](C)CCCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000570005035 822995443 /nfs/dbraw/zinc/99/54/43/822995443.db2.gz MFEOWRNUSXMOBZ-UHFFFAOYSA-N 1 0 386.458 4.244 20 0 GIADRO CC(F)(F)c1cccc(NC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000187005451 822996043 /nfs/dbraw/zinc/99/60/43/822996043.db2.gz ZVCNSAGLUNECHF-SFHVURJKSA-N 1 0 387.474 4.484 20 0 GIADRO COc1cc(C[N@@H+]2CCC[C@]2(C)CCCO)ccc1OCc1cccs1 ZINC000570008756 822996312 /nfs/dbraw/zinc/99/63/12/822996312.db2.gz HZLNUZAPLSTXQD-OAQYLSRUSA-N 1 0 375.534 4.463 20 0 GIADRO CSC1(CNC(=O)Nc2ccc(Oc3ccccc3)cc2)CC[NH+](C)CC1 ZINC000570011807 822996705 /nfs/dbraw/zinc/99/67/05/822996705.db2.gz PAALCNLDOVAULC-UHFFFAOYSA-N 1 0 385.533 4.428 20 0 GIADRO Cc1cc2c(cc1C)[C@@H]([NH2+]Cc1ccc(N3CCO[C@H](C)C3)nc1)CCS2 ZINC000187010424 822997037 /nfs/dbraw/zinc/99/70/37/822997037.db2.gz OWISJQAIFSXWEW-XLIONFOSSA-N 1 0 383.561 4.250 20 0 GIADRO Cc1nc([C@H]2CCCN2C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cs1 ZINC000187019984 822998666 /nfs/dbraw/zinc/99/86/66/822998666.db2.gz OYCDASKPDXEFPI-LKUPVBHCSA-N 1 0 398.576 4.351 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)Nc2ccccc2N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000055685946 822998804 /nfs/dbraw/zinc/99/88/04/822998804.db2.gz YUSZRGQLPQHNCM-OALUTQOASA-N 1 0 395.547 4.394 20 0 GIADRO C[C@@H]1CN(C(=O)C[NH2+][C@@H](c2ccccc2)c2cccc3ccccc32)C[C@@H](C)O1 ZINC000570032046 822999107 /nfs/dbraw/zinc/99/91/07/822999107.db2.gz NQVZWDKJJABAPH-RRQZXNHTSA-N 1 0 388.511 4.155 20 0 GIADRO C[C@@H]1CN(C(=O)C[NH2+][C@H](c2ccccc2)c2cccc3ccccc32)C[C@@H](C)O1 ZINC000570032045 822999149 /nfs/dbraw/zinc/99/91/49/822999149.db2.gz NQVZWDKJJABAPH-MPCDZSKCSA-N 1 0 388.511 4.155 20 0 GIADRO C[C@H]([NH2+]C[C@@H](c1ccc(F)cc1)N(C)C)c1ncc(Br)cc1F ZINC000187031879 823000966 /nfs/dbraw/zinc/00/09/66/823000966.db2.gz INTSOMIJKYPADO-ZBEGNZNMSA-N 1 0 384.268 4.076 20 0 GIADRO Cc1csc([C@@H](NC(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)C2CC2)n1 ZINC000175578495 823001277 /nfs/dbraw/zinc/00/12/77/823001277.db2.gz SKTRLYKMGCQTAT-APWZRJJASA-N 1 0 386.565 4.112 20 0 GIADRO CCOc1ccc([C@H](C)NC(=O)C[NH2+]C(C)(C)c2ccccc2C)cc1OC ZINC000570062525 823001948 /nfs/dbraw/zinc/00/19/48/823001948.db2.gz MPKNVSNZCPFGGA-KRWDZBQOSA-N 1 0 384.520 4.104 20 0 GIADRO OC[C@H](C[NH2+][C@H]1CCCOc2ccccc21)Cc1ccccc1C(F)(F)F ZINC000570066772 823002640 /nfs/dbraw/zinc/00/26/40/823002640.db2.gz AJKIKNYXOKRICV-KXBFYZLASA-N 1 0 379.422 4.360 20 0 GIADRO Cc1cscc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C(F)(F)F ZINC000175602170 823004896 /nfs/dbraw/zinc/00/48/96/823004896.db2.gz VIMIJRBXSIJKDG-UHFFFAOYSA-N 1 0 383.439 4.079 20 0 GIADRO CSc1ccc(CN(C)C(=O)C[NH+]2CCC(OCC3CCCC3)CC2)cc1 ZINC000175602749 823004992 /nfs/dbraw/zinc/00/49/92/823004992.db2.gz CFGRPDYWEHRIQG-UHFFFAOYSA-N 1 0 390.593 4.038 20 0 GIADRO C[C@@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccc(OC(F)F)cc1 ZINC000175611467 823006283 /nfs/dbraw/zinc/00/62/83/823006283.db2.gz AOCBHGDKBFIMTN-CQSZACIVSA-N 1 0 381.467 4.055 20 0 GIADRO O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)[C@@H]1CCc2cccc(O)c21 ZINC000570115696 823006984 /nfs/dbraw/zinc/00/69/84/823006984.db2.gz VVUZHJOHKOPDIW-MOPGFXCFSA-N 1 0 384.907 4.029 20 0 GIADRO Cc1cc(Br)cc([C@@H](C)[NH2+]Cc2ccc(-n3ccnc3)cc2)c1O ZINC000187080627 823007896 /nfs/dbraw/zinc/00/78/96/823007896.db2.gz AHMXQOHRKWZITN-CQSZACIVSA-N 1 0 386.293 4.500 20 0 GIADRO CN1C(=O)CCc2cc(C[N@@H+]3CCC[C@H](c4nc5c(s4)CCCC5)C3)ccc21 ZINC000187083046 823008285 /nfs/dbraw/zinc/00/82/85/823008285.db2.gz QJEBTLSFUPCYFX-SFHVURJKSA-N 1 0 395.572 4.311 20 0 GIADRO COCCC[N@H+](Cc1ccncc1)Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000570128268 823008404 /nfs/dbraw/zinc/00/84/04/823008404.db2.gz BQFAKODVGYWHDF-UHFFFAOYSA-N 1 0 386.499 4.459 20 0 GIADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1sc2ccccc2c1Br ZINC000570135205 823008959 /nfs/dbraw/zinc/00/89/59/823008959.db2.gz JYZZEISDLZCTQQ-CHWSQXEVSA-N 1 0 379.323 4.020 20 0 GIADRO CSC1(CNC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)CC[NH+](C)CC1 ZINC000570136373 823009345 /nfs/dbraw/zinc/00/93/45/823009345.db2.gz RDGIJOOHSYUIBR-GFCCVEGCSA-N 1 0 390.380 4.181 20 0 GIADRO COc1ccc(Br)c(C[NH2+][C@H]2CCC[C@@H](c3ccnn3C)C2)c1 ZINC000570154537 823011006 /nfs/dbraw/zinc/01/10/06/823011006.db2.gz DCKJDZAPSCTOPQ-HIFRSBDPSA-N 1 0 378.314 4.007 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)CCc2ncc(C(C)(C)C)o2)CC[N@@H+]1Cc1ccccc1 ZINC000187113758 823012507 /nfs/dbraw/zinc/01/25/07/823012507.db2.gz URLUNFYLVALVFL-UYAOXDASSA-N 1 0 397.563 4.416 20 0 GIADRO CC(C)(C)c1cc(NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)n(C(C)(C)C)n1 ZINC000570179219 823012739 /nfs/dbraw/zinc/01/27/39/823012739.db2.gz XILSPDIJMGGVBJ-MRXNPFEDSA-N 1 0 392.613 4.092 20 0 GIADRO COc1cc(NC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)ccc1F ZINC000187117987 823013293 /nfs/dbraw/zinc/01/32/93/823013293.db2.gz WKQXBPXSMCLNBX-UHFFFAOYSA-N 1 0 379.863 4.083 20 0 GIADRO Cc1nc(-c2cccc(C(=O)N(CC[NH+](C)C)Cc3cccs3)c2)cs1 ZINC000175657646 823014129 /nfs/dbraw/zinc/01/41/29/823014129.db2.gz KHLIVVYFLRKFRR-UHFFFAOYSA-N 1 0 385.558 4.384 20 0 GIADRO Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H]2COc3ccc(F)cc3C2)c(Cl)c1 ZINC000570196703 823014430 /nfs/dbraw/zinc/01/44/30/823014430.db2.gz CPGNOFGSXNIPFA-CZUORRHYSA-N 1 0 376.859 4.098 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH2+]Cc1ccc(-n2nc(C)cc2C)nc1 ZINC000187129838 823015226 /nfs/dbraw/zinc/01/52/26/823015226.db2.gz IAGMBCKGKKYMNP-UHFFFAOYSA-N 1 0 399.498 4.245 20 0 GIADRO COCCOc1cccc(C[NH+]2CCC(c3noc4cc(F)ccc43)CC2)c1 ZINC000570208199 823015494 /nfs/dbraw/zinc/01/54/94/823015494.db2.gz GJWXCVMOASEYJU-UHFFFAOYSA-N 1 0 384.451 4.372 20 0 GIADRO CCc1noc(-c2ccc(C)c(NC(=O)[C@H]3CC[N@H+](Cc4ccccc4)C3)c2)n1 ZINC000570223615 823016593 /nfs/dbraw/zinc/01/65/93/823016593.db2.gz AQSACDROMKWWCH-IBGZPJMESA-N 1 0 390.487 4.068 20 0 GIADRO CC(C)[C@@H]([NH2+][C@H](C)C1CCS(=O)(=O)CC1)c1cccc(C(F)(F)F)c1 ZINC000187141145 823016822 /nfs/dbraw/zinc/01/68/22/823016822.db2.gz SAHUQFFHFOAVSJ-CXAGYDPISA-N 1 0 377.472 4.205 20 0 GIADRO CC(C)[C@@H]([NH2+][C@@H](C)C1CCS(=O)(=O)CC1)c1cccc(C(F)(F)F)c1 ZINC000187141114 823016856 /nfs/dbraw/zinc/01/68/56/823016856.db2.gz SAHUQFFHFOAVSJ-SUMWQHHRSA-N 1 0 377.472 4.205 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)C1 ZINC000175671455 823017139 /nfs/dbraw/zinc/01/71/39/823017139.db2.gz VJFNJNRTLPJULL-CALCHBBNSA-N 1 0 396.535 4.102 20 0 GIADRO C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000175678493 823018602 /nfs/dbraw/zinc/01/86/02/823018602.db2.gz OIMMQXUSLIHONP-PXNSSMCTSA-N 1 0 391.540 4.451 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(Oc3ccc(Cl)cc3)nc2)CC[N@@H+]1C ZINC000175681192 823019206 /nfs/dbraw/zinc/01/92/06/823019206.db2.gz SYTZWNXSNDTRJN-PBHICJAKSA-N 1 0 388.899 4.474 20 0 GIADRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000187162596 823019455 /nfs/dbraw/zinc/01/94/55/823019455.db2.gz WCESVLPFIKERKC-NSHDSACASA-N 1 0 395.253 4.231 20 0 GIADRO O=C(N1CCC[C@@H]([NH+]2CCCC2)CC1)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000187164697 823019637 /nfs/dbraw/zinc/01/96/37/823019637.db2.gz YYROHKAIGOXJQJ-GOSISDBHSA-N 1 0 398.444 4.353 20 0 GIADRO C[C@@H](NC(=O)CSc1ccc(C(F)(F)F)cn1)[C@@H](c1ccccc1)[NH+](C)C ZINC000187167892 823020008 /nfs/dbraw/zinc/02/00/08/823020008.db2.gz JUKKYFNZIWDRSJ-ACJLOTCBSA-N 1 0 397.466 4.000 20 0 GIADRO Cc1ccc(NC(=O)N2CCC(c3ccsc3)CC2)c(OCC[NH+](C)C)c1 ZINC000187169505 823020095 /nfs/dbraw/zinc/02/00/95/823020095.db2.gz YRZWIHBIBHYUPH-UHFFFAOYSA-N 1 0 387.549 4.408 20 0 GIADRO Cc1cc(NC(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)ccc1OCC(F)(F)F ZINC000570262410 823020634 /nfs/dbraw/zinc/02/06/34/823020634.db2.gz QZKAFJVUDDCOPM-WBVHZDCISA-N 1 0 399.457 4.322 20 0 GIADRO C[C@@H](NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1)[C@@H](c1ccccc1)[NH+](C)C ZINC000187174727 823020907 /nfs/dbraw/zinc/02/09/07/823020907.db2.gz SLLSNSYXCQXTIW-VFNWGFHPSA-N 1 0 397.906 4.345 20 0 GIADRO Cc1oc(-c2cccs2)nc1CC(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000187186101 823022354 /nfs/dbraw/zinc/02/23/54/823022354.db2.gz UNGBTLGYSBMCMQ-VLIAUNLRSA-N 1 0 383.517 4.062 20 0 GIADRO O=C1CCCN1[C@@H]1CCC[C@@H]([NH2+]Cc2cc3cc(Br)ccc3o2)C1 ZINC000570291966 823023148 /nfs/dbraw/zinc/02/31/48/823023148.db2.gz GTDMZOCEZLNSCP-HZPDHXFCSA-N 1 0 391.309 4.219 20 0 GIADRO CCn1cc(C(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)c2ccccc21 ZINC000175700565 823023171 /nfs/dbraw/zinc/02/31/71/823023171.db2.gz HUCNMBUKVJUCJP-UHFFFAOYSA-N 1 0 375.516 4.398 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)CC1 ZINC000175704032 823023831 /nfs/dbraw/zinc/02/38/31/823023831.db2.gz KGOXZVWOADIJBS-PZJWPPBQSA-N 1 0 384.470 4.191 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1)C(=O)N1CCc2sccc2C1 ZINC000175704868 823023971 /nfs/dbraw/zinc/02/39/71/823023971.db2.gz AJLGNWFCGCCUQU-QWHCGFSZSA-N 1 0 398.450 4.271 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCc1ccc(CSC)cc1 ZINC000570304052 823024004 /nfs/dbraw/zinc/02/40/04/823024004.db2.gz LKLXUAXUFHKKNS-UHFFFAOYSA-N 1 0 385.577 4.343 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccnc1Cl)c1cccc(OC(F)(F)F)c1 ZINC000175709449 823024884 /nfs/dbraw/zinc/02/48/84/823024884.db2.gz RUQGOGJQCCAYKH-MNOVXSKESA-N 1 0 387.789 4.311 20 0 GIADRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H](C)c3ccc(SCC(F)F)cc3)[C@H]2C1 ZINC000570314772 823024955 /nfs/dbraw/zinc/02/49/55/823024955.db2.gz HUTSCYULZKNNEU-FDARSICLSA-N 1 0 382.520 4.341 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1ncsc1C(C)C)c1cccc(OC)c1 ZINC000570321513 823025781 /nfs/dbraw/zinc/02/57/81/823025781.db2.gz KCMBOFKHIDRWOM-KRWDZBQOSA-N 1 0 375.538 4.088 20 0 GIADRO CCOc1ccc(Oc2ccc(NC(=O)[C@]3([NH3+])C[C@@H](OCC)C3(C)C)cc2)cc1 ZINC000187224167 823027378 /nfs/dbraw/zinc/02/73/78/823027378.db2.gz VRYFFOQBCMXBGE-NFBKMPQASA-N 1 0 398.503 4.349 20 0 GIADRO CC(C)(C)[C@H](NC(=O)NC1CC[NH+](Cc2ccccn2)CC1)c1cccc(F)c1 ZINC000175729697 823028044 /nfs/dbraw/zinc/02/80/44/823028044.db2.gz AGUVKYZJTBPKSH-OAQYLSRUSA-N 1 0 398.526 4.272 20 0 GIADRO C[C@@H](NC(=O)c1cccc(Oc2ccncc2)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000187230242 823028153 /nfs/dbraw/zinc/02/81/53/823028153.db2.gz QRBGPXOUKURYJQ-VGSWGCGISA-N 1 0 375.472 4.295 20 0 GIADRO CC(C)C[C@@H](C)Oc1cc(C[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)ccn1 ZINC000187231248 823028207 /nfs/dbraw/zinc/02/82/07/823028207.db2.gz PFCSCSHLLMEIRU-QGZVFWFLSA-N 1 0 381.520 4.094 20 0 GIADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]C[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC000187250212 823030529 /nfs/dbraw/zinc/03/05/29/823030529.db2.gz MZZUHLRWKIUJLQ-YJBOKZPZSA-N 1 0 387.973 4.065 20 0 GIADRO Cc1ccc(-c2nc(CC(=O)N[C@H](C)[C@@H](c3ccccc3)[NH+](C)C)cs2)o1 ZINC000187255027 823031191 /nfs/dbraw/zinc/03/11/91/823031191.db2.gz MCBQUTUISUPOPG-QRWLVFNGSA-N 1 0 383.517 4.062 20 0 GIADRO CC[C@H](C)n1ncc(NC(=O)NC[C@H](C(C)C)[N@@H+]2CCc3ccccc3C2)c1C ZINC000570378753 823031511 /nfs/dbraw/zinc/03/15/11/823031511.db2.gz YSKLNQIAHZSTGD-HTAPYJJXSA-N 1 0 397.567 4.367 20 0 GIADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CCc1cc2ccccc2o1 ZINC000187256905 823031565 /nfs/dbraw/zinc/03/15/65/823031565.db2.gz KKYZZTUVQQXQBZ-UHFFFAOYSA-N 1 0 377.893 4.212 20 0 GIADRO Cc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000570380541 823031649 /nfs/dbraw/zinc/03/16/49/823031649.db2.gz AOCUNVRVCWJTJM-QHCPKHFHSA-N 1 0 395.551 4.086 20 0 GIADRO O=C(Nc1cc(F)ccc1OCC1CC1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000570380739 823031737 /nfs/dbraw/zinc/03/17/37/823031737.db2.gz BSZKYFOYJYMENF-QFBILLFUSA-N 1 0 375.488 4.001 20 0 GIADRO C[C@H](NC(=O)c1c(F)cc(Br)cc1F)[C@H](c1ccccc1)[NH+](C)C ZINC000187259142 823031824 /nfs/dbraw/zinc/03/18/24/823031824.db2.gz HLZIJSRDIPCMCK-APPDUMDISA-N 1 0 397.263 4.149 20 0 GIADRO COc1ccc(O[C@@H](C)C[NH2+][C@@H](C)c2ncc(Br)cc2F)cc1 ZINC000187259184 823031840 /nfs/dbraw/zinc/03/18/40/823031840.db2.gz YFWYWDXBDQWKGD-RYUDHWBXSA-N 1 0 383.261 4.110 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1c1ccccc1)C(=O)Nc1cccc(Cl)c1Cl ZINC000570384069 823031906 /nfs/dbraw/zinc/03/19/06/823031906.db2.gz XIWGWPAIMUMKKD-BOFPYLFWSA-N 1 0 392.330 4.355 20 0 GIADRO CC[C@H](Cc1ccccc1)[NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC000570384625 823031966 /nfs/dbraw/zinc/03/19/66/823031966.db2.gz OBAVUZYWBZLMAB-QGZVFWFLSA-N 1 0 385.451 4.220 20 0 GIADRO COc1ccccc1O[C@H](C)C[NH2+][C@@H](C)c1ncc(Br)cc1F ZINC000187259788 823032048 /nfs/dbraw/zinc/03/20/48/823032048.db2.gz FENBICWUTQGJSG-NEPJUHHUSA-N 1 0 383.261 4.110 20 0 GIADRO C[C@@H](NC(=O)CCCc1nc2ccccc2s1)[C@H](c1ccccc1)[NH+](C)C ZINC000187263516 823032793 /nfs/dbraw/zinc/03/27/93/823032793.db2.gz WWOSKAVNUWHJFP-OPAMFIHVSA-N 1 0 381.545 4.427 20 0 GIADRO C[C@H]([NH2+]CCc1nc(C(F)(F)F)cs1)c1ncc(Br)cc1F ZINC000187264878 823032995 /nfs/dbraw/zinc/03/29/95/823032995.db2.gz YRTUTYUTAHDTLM-ZETCQYMHSA-N 1 0 398.223 4.352 20 0 GIADRO CCc1nocc1CN(C)C(=O)NCC(CC)(CC)[NH2+][C@H](C)c1ccccc1 ZINC000458374275 823033653 /nfs/dbraw/zinc/03/36/53/823033653.db2.gz OFBIODXDIUVZBK-QGZVFWFLSA-N 1 0 386.540 4.288 20 0 GIADRO CCC(CC)(CNC(=O)NC[C@@H]1CC12CCOCC2)[NH2+][C@@H](C)c1ccccc1 ZINC000458379127 823034582 /nfs/dbraw/zinc/03/45/82/823034582.db2.gz SOGIRVLWSZQCEW-ICSRJNTNSA-N 1 0 387.568 4.012 20 0 GIADRO CC(C)Cn1c(CC2CCCC2)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000570423424 823035986 /nfs/dbraw/zinc/03/59/86/823035986.db2.gz NWMZQVJOJPGYHI-FPOVZHCZSA-N 1 0 385.600 4.120 20 0 GIADRO C[C@@H]1[C@@H](NC(=O)N2CCCCC[C@@H]2c2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC000570423232 823035996 /nfs/dbraw/zinc/03/59/96/823035996.db2.gz DGMRXOINMOKNKZ-WTIAFYNJSA-N 1 0 392.547 4.371 20 0 GIADRO Cc1ccc(SC2(C[NH2+][C@@H](C)C3CCS(=O)(=O)CC3)CCCC2)cc1 ZINC000187284508 823036851 /nfs/dbraw/zinc/03/68/51/823036851.db2.gz SBRLLOUAAYCFBN-KRWDZBQOSA-N 1 0 381.607 4.203 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)Cc1c[nH]c2ccccc12)[NH+]1CCCCC1 ZINC000055751945 823036936 /nfs/dbraw/zinc/03/69/36/823036936.db2.gz OOHTYOBRXMRIGD-QFIPXVFZSA-N 1 0 391.515 4.062 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)c1ccc(C)nc1Cl)[NH+]1CCCCC1 ZINC000055752536 823037054 /nfs/dbraw/zinc/03/70/54/823037054.db2.gz GMYRQJIKHDTLTG-SFHVURJKSA-N 1 0 387.911 4.009 20 0 GIADRO CN1CC[C@H]([NH2+]Cc2ccc(Br)s2)[C@H]1c1ccc(F)c(F)c1 ZINC000570430198 823037063 /nfs/dbraw/zinc/03/70/63/823037063.db2.gz RDDKOFYHHXXMCS-GOEBONIOSA-N 1 0 387.293 4.324 20 0 GIADRO Cc1cccc([C@H](C)NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)c1C ZINC000458409098 823037574 /nfs/dbraw/zinc/03/75/74/823037574.db2.gz LTCMXIDIONONKX-INIZCTEOSA-N 1 0 385.474 4.423 20 0 GIADRO CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)cc1 ZINC000570440519 823038775 /nfs/dbraw/zinc/03/87/75/823038775.db2.gz XBQPRSGEXQTHRN-SFTDATJTSA-N 1 0 380.536 4.082 20 0 GIADRO Fc1ccccc1OC[C@@H]([NH2+]Cc1ccc(-n2ccnc2)nc1)c1ccccc1 ZINC000175781388 823038883 /nfs/dbraw/zinc/03/88/83/823038883.db2.gz VGBKTSRSJOBRQQ-OAQYLSRUSA-N 1 0 388.446 4.316 20 0 GIADRO Cc1ccc(C[NH2+][C@H](C)C2CCS(=O)(=O)CC2)c(O[C@H](C)CC(C)C)c1 ZINC000187301303 823039550 /nfs/dbraw/zinc/03/95/50/823039550.db2.gz LETWUAVMOWWENO-QZTJIDSGSA-N 1 0 381.582 4.111 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH2+][C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000187300833 823039627 /nfs/dbraw/zinc/03/96/27/823039627.db2.gz OVUSLODUQURCNI-QFIPXVFZSA-N 1 0 393.531 4.028 20 0 GIADRO CCOc1ccccc1CNC(=O)N(CC)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000175790521 823040925 /nfs/dbraw/zinc/04/09/25/823040925.db2.gz PHUYHOFKPWRUNW-NRFANRHFSA-N 1 0 395.547 4.139 20 0 GIADRO CC[C@H](C(=O)Nc1ccc(NC(=O)c2ccco2)cc1)[N@H+](C)Cc1ccccc1 ZINC000570466981 823041658 /nfs/dbraw/zinc/04/16/58/823041658.db2.gz NVRBDILTKQVOFW-HXUWFJFHSA-N 1 0 391.471 4.381 20 0 GIADRO C[C@H](C[C@@H](O)c1ccc(F)cc1)[NH2+][C@@H](C)c1ncc(Br)cc1F ZINC000187313104 823041818 /nfs/dbraw/zinc/04/18/18/823041818.db2.gz YWMGAJVOMFHQOV-OHUAYANFSA-N 1 0 385.252 4.285 20 0 GIADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1c(F)cccc1Br ZINC000175797005 823042371 /nfs/dbraw/zinc/04/23/71/823042371.db2.gz FHTVYWRHKJUWBD-AWEZNQCLSA-N 1 0 397.313 4.217 20 0 GIADRO C[C@@H](NC(=O)Nc1ccc(-c2cc[nH]n2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000570473553 823042800 /nfs/dbraw/zinc/04/28/00/823042800.db2.gz YCVOFULUMMXKML-XLIONFOSSA-N 1 0 389.503 4.109 20 0 GIADRO CO[C@@H](C)c1nc(C)c(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)s1 ZINC000175800569 823043454 /nfs/dbraw/zinc/04/34/54/823043454.db2.gz MDVMIMJAKGWGRX-INIZCTEOSA-N 1 0 387.549 4.075 20 0 GIADRO Cc1cccc(C)c1OCC[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000177887394 823541695 /nfs/dbraw/zinc/54/16/95/823541695.db2.gz QLDAAVVZVQJMBU-UHFFFAOYSA-N 1 0 386.923 4.230 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@@H]2CCN(C(=O)C3CCCCC3)C2)ccc1OC(F)F ZINC000123799187 823541787 /nfs/dbraw/zinc/54/17/87/823541787.db2.gz QBIZNPGPRCWKHN-RHSMWYFYSA-N 1 0 396.478 4.128 20 0 GIADRO COc1cc(C[NH2+]C[C@@H](O)c2ccccc2Cl)ccc1OCc1ccncc1 ZINC000123804314 823542230 /nfs/dbraw/zinc/54/22/30/823542230.db2.gz XWEBMNMGMHHUPF-HXUWFJFHSA-N 1 0 398.890 4.146 20 0 GIADRO CC[NH+]1CCN(c2ccc(C(=O)Nc3c(C)noc3-c3ccccc3)cc2)CC1 ZINC000123808163 823542389 /nfs/dbraw/zinc/54/23/89/823542389.db2.gz PZDFCCYDWDTGOW-UHFFFAOYSA-N 1 0 390.487 4.044 20 0 GIADRO CCCNC(=O)C1CC[NH+](Cc2ccc(Oc3ccccc3F)c(F)c2)CC1 ZINC000123808643 823542411 /nfs/dbraw/zinc/54/24/11/823542411.db2.gz XUBADBKVSZBSIW-UHFFFAOYSA-N 1 0 388.458 4.495 20 0 GIADRO CN(Cc1ccccc1OC(F)(F)F)C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000060563635 823542822 /nfs/dbraw/zinc/54/28/22/823542822.db2.gz HBJWNDIEMFJUIR-UHFFFAOYSA-N 1 0 392.421 4.453 20 0 GIADRO Cc1cc(C)c(CNC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)c(C)c1 ZINC000060566154 823543041 /nfs/dbraw/zinc/54/30/41/823543041.db2.gz AZQTWLBYPRXFLS-UHFFFAOYSA-N 1 0 389.490 4.163 20 0 GIADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)C1 ZINC000060567114 823543219 /nfs/dbraw/zinc/54/32/19/823543219.db2.gz DJTMOICUMFOCOJ-BPQIPLTHSA-N 1 0 382.470 4.437 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)Nc2cccc(C(F)(F)F)n2)CC1 ZINC000123829229 823543773 /nfs/dbraw/zinc/54/37/73/823543773.db2.gz ICLOFHYRPYKRFX-AWEZNQCLSA-N 1 0 392.425 4.448 20 0 GIADRO Brc1ccc2c(c1)[C@@H]([NH2+]Cc1cccnc1-n1cccn1)CCCO2 ZINC000177902484 823543975 /nfs/dbraw/zinc/54/39/75/823543975.db2.gz OTGAEXSQPKQEQS-KRWDZBQOSA-N 1 0 399.292 4.033 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CCOc2ccc(C(F)(F)F)cc2)cc1NC(C)=O ZINC000177903348 823544239 /nfs/dbraw/zinc/54/42/39/823544239.db2.gz IYOZZPVZMOOWCU-CYBMUJFWSA-N 1 0 396.409 4.402 20 0 GIADRO COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@H]2C)cc1 ZINC000177907293 823544581 /nfs/dbraw/zinc/54/45/81/823544581.db2.gz QPJIGVDYAYIOER-BBWFWOEESA-N 1 0 395.503 4.005 20 0 GIADRO C[C@H]([NH2+]Cc1cccnc1-n1ccnc1)c1cc(Br)ccc1F ZINC000177910863 823545202 /nfs/dbraw/zinc/54/52/02/823545202.db2.gz NCAWOBFOIDDRGX-LBPRGKRZSA-N 1 0 375.245 4.020 20 0 GIADRO C[C@H](C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1)c1ccc(F)c(F)c1 ZINC000460933873 823545620 /nfs/dbraw/zinc/54/56/20/823545620.db2.gz NYMUKURSRJMEPO-INIZCTEOSA-N 1 0 384.470 4.118 20 0 GIADRO O=C(CC[N@H+](CCc1ccccn1)Cc1ccc(F)cc1)Nc1ccccc1 ZINC000060591359 823545710 /nfs/dbraw/zinc/54/57/10/823545710.db2.gz BZFVCXBBHGFTGN-UHFFFAOYSA-N 1 0 377.463 4.294 20 0 GIADRO CC[C@@H]1C[C@H](C(=O)N(CCC[NH+]2CCCC2)c2ccc(Cl)cc2)CCO1 ZINC000411099542 823545758 /nfs/dbraw/zinc/54/57/58/823545758.db2.gz GWDYZJRATZQORL-YLJYHZDGSA-N 1 0 378.944 4.364 20 0 GIADRO O=C(Nc1ccc(-c2cnco2)cc1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000123854923 823545966 /nfs/dbraw/zinc/54/59/66/823545966.db2.gz CUCZSDXXJOPHMO-GOSISDBHSA-N 1 0 379.435 4.331 20 0 GIADRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)cc1C ZINC000177921447 823546548 /nfs/dbraw/zinc/54/65/48/823546548.db2.gz QRINYJJPXPVOAM-ZCNNSNEGSA-N 1 0 380.532 4.404 20 0 GIADRO C[C@H]1C[C@H](C(=O)N(CCC[NH+]2CCCC2)c2ccc(Cl)cc2)CCC1=O ZINC000411103944 823546739 /nfs/dbraw/zinc/54/67/39/823546739.db2.gz RMBBKMRHQPHEPE-DLBZAZTESA-N 1 0 376.928 4.164 20 0 GIADRO C[N@@H+]1CC[C@@H](CNC(=O)CSc2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123860126 823546910 /nfs/dbraw/zinc/54/69/10/823546910.db2.gz YEIUNXVPFNATDN-YWZLYKJASA-N 1 0 392.927 4.380 20 0 GIADRO CCOc1ccc(NC(=O)C[NH2+][C@@H](C)[C@@H](C)c2nc3ccccc3s2)cc1 ZINC000177927940 823547294 /nfs/dbraw/zinc/54/72/94/823547294.db2.gz QLKYZLOWZNXFOF-CABCVRRESA-N 1 0 383.517 4.415 20 0 GIADRO O=C(C[C@@H](Cc1ccccc1)c1ccccc1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000460943798 823547644 /nfs/dbraw/zinc/54/76/44/823547644.db2.gz OGEWFOQJYBAANO-RPWUZVMVSA-N 1 0 376.544 4.490 20 0 GIADRO COc1ccc([C@H](C)N(C)C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000123867596 823547699 /nfs/dbraw/zinc/54/76/99/823547699.db2.gz MAOZIWQNBFQKDT-IBGZPJMESA-N 1 0 395.547 4.371 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+][C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000123870099 823547941 /nfs/dbraw/zinc/54/79/41/823547941.db2.gz ZNYGYFPWZGPCAX-KXBFYZLASA-N 1 0 398.576 4.345 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2ncoc2-c2ccccc2Cl)C1 ZINC000460953952 823549690 /nfs/dbraw/zinc/54/96/90/823549690.db2.gz FTCRXAVQSMIZOI-GASCZTMLSA-N 1 0 389.927 4.481 20 0 GIADRO Cc1nn(C)c2ncc(C[NH2+][C@@H](COCc3ccccc3)c3ccccc3)cc12 ZINC000123901392 823550157 /nfs/dbraw/zinc/55/01/57/823550157.db2.gz NSYVEPAKNAHUGE-QHCPKHFHSA-N 1 0 386.499 4.324 20 0 GIADRO CC1CC[NH+](C2CCC(NC(=O)NC[C@H]3CC[C@@H](c4ccccc4)O3)CC2)CC1 ZINC000460958799 823550865 /nfs/dbraw/zinc/55/08/65/823550865.db2.gz IRMITQDGRWTJDN-HDJSHQJTSA-N 1 0 399.579 4.249 20 0 GIADRO Cc1cc(C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)ccc1NC(=O)CC(C)C ZINC000460963066 823551539 /nfs/dbraw/zinc/55/15/39/823551539.db2.gz NRXCHIWRPDVGPU-UZUQRXQVSA-N 1 0 387.568 4.220 20 0 GIADRO O=C(C[C@@H](c1ccc(O)cc1)C1CC1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000411150903 823551934 /nfs/dbraw/zinc/55/19/34/823551934.db2.gz YGKFFZSWJMEGIQ-NHCUHLMSSA-N 1 0 382.504 4.212 20 0 GIADRO CCNc1ccc(Cl)cc1C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000190218126 823551983 /nfs/dbraw/zinc/55/19/83/823551983.db2.gz OEUUJBHOKUUZCT-GOSISDBHSA-N 1 0 385.939 4.366 20 0 GIADRO CC[C@@]1(CO)CCC[N@H+](Cc2c(C)nn(Cc3ccccc3Cl)c2C)C1 ZINC000190219778 823552199 /nfs/dbraw/zinc/55/21/99/823552199.db2.gz RASRDGKMCVQLHA-OAQYLSRUSA-N 1 0 375.944 4.186 20 0 GIADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ncoc2-c2ccccc2Cl)C1 ZINC000460969632 823552784 /nfs/dbraw/zinc/55/27/84/823552784.db2.gz NTGTXVQINSMUFG-CQSZACIVSA-N 1 0 375.900 4.235 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)NC[C@@H]2CCO[C@H]2c2ccccc2)cc1)C(C)C ZINC000190232264 823553384 /nfs/dbraw/zinc/55/33/84/823553384.db2.gz KNCIHRWKOFYLEC-GOTSBHOMSA-N 1 0 380.532 4.425 20 0 GIADRO CC[C@]1(CO)CCC[N@H+](Cc2ccc(OCc3cccs3)c(OC)c2)C1 ZINC000190231403 823553436 /nfs/dbraw/zinc/55/34/36/823553436.db2.gz SNJBJPOIXZRSOY-NRFANRHFSA-N 1 0 375.534 4.320 20 0 GIADRO CS(=O)(=O)Cc1ccc(CNc2cc[nH+]c3cc(C(F)(F)F)ccc23)cc1 ZINC000123940320 823553694 /nfs/dbraw/zinc/55/36/94/823553694.db2.gz JDSDTGUHLKLQBC-UHFFFAOYSA-N 1 0 394.418 4.410 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)c2ncoc2-c2ccccc2Cl)c1 ZINC000460974142 823553878 /nfs/dbraw/zinc/55/38/78/823553878.db2.gz RKWXCXACZZBJNU-UHFFFAOYSA-N 1 0 383.879 4.377 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2c[nH]cc2-c2ccc(F)cc2)C1 ZINC000460974902 823554052 /nfs/dbraw/zinc/55/40/52/823554052.db2.gz ZJHKEDSRFIQXMN-OXQOHEQNSA-N 1 0 377.463 4.386 20 0 GIADRO CC[C@H](C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)C1CCC(C)CC1 ZINC000460977952 823554547 /nfs/dbraw/zinc/55/45/47/823554547.db2.gz HQHBJWNZYXMCEE-SJNRVSCASA-N 1 0 378.601 4.187 20 0 GIADRO Cc1cc(C)c(Br)c(C(=O)N(CC(C)C)C2CC[NH+](C)CC2)c1 ZINC000460978849 823555008 /nfs/dbraw/zinc/55/50/08/823555008.db2.gz KUEHOXSANQOJAA-UHFFFAOYSA-N 1 0 381.358 4.258 20 0 GIADRO Cc1cc(NC(=O)C(=O)N[C@@H](c2ccccc2)C2CCCC2)ccc1C[NH+](C)C ZINC000411183484 823555155 /nfs/dbraw/zinc/55/51/55/823555155.db2.gz RZQCLERMIRLLAZ-QFIPXVFZSA-N 1 0 393.531 4.043 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)c2ccccc2OCc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000123955767 823555167 /nfs/dbraw/zinc/55/51/67/823555167.db2.gz CRZDNOUQHIDYIZ-VQIMIIECSA-N 1 0 386.923 4.474 20 0 GIADRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cn(C(C)(C)C)nc1-c1ccc(F)cc1F ZINC000460990321 823556283 /nfs/dbraw/zinc/55/62/83/823556283.db2.gz PWONRFAIRKEBRF-CQSZACIVSA-N 1 0 392.494 4.043 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@@H]1C[C@@]1(F)c1ccccc1 ZINC000411201757 823556799 /nfs/dbraw/zinc/55/67/99/823556799.db2.gz SMPRDOGJJHRIBJ-RBBKRZOGSA-N 1 0 386.898 4.306 20 0 GIADRO C[NH+](C)CCC1CCN(C(=O)C2(c3cccc(C(F)(F)F)c3)CCC2)CC1 ZINC000460996624 823556841 /nfs/dbraw/zinc/55/68/41/823556841.db2.gz OTTUHRUDQHZQGW-UHFFFAOYSA-N 1 0 382.470 4.317 20 0 GIADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2ccc(C(F)(F)F)c(F)c2)CC1 ZINC000190257015 823556943 /nfs/dbraw/zinc/55/69/43/823556943.db2.gz UENSHPHEXQZVCQ-CYBMUJFWSA-N 1 0 395.400 4.195 20 0 GIADRO COc1ccccc1NC(=O)C[N@@H+]1CCCCC[C@H]1C[C@H](O)c1ccccc1 ZINC000123974793 823556987 /nfs/dbraw/zinc/55/69/87/823556987.db2.gz XRAXJJMNHIOQIZ-FPOVZHCZSA-N 1 0 382.504 4.002 20 0 GIADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)C2(Cc3ccccc3Cl)CC2)CC1 ZINC000190257250 823557051 /nfs/dbraw/zinc/55/70/51/823557051.db2.gz XJUZCMWVXFRFFD-KRWDZBQOSA-N 1 0 397.950 4.400 20 0 GIADRO CC[NH+](CC)[C@H](C)CNC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1 ZINC000460997934 823557079 /nfs/dbraw/zinc/55/70/79/823557079.db2.gz VJFXCOSVJNTAIE-GFCCVEGCSA-N 1 0 397.306 4.036 20 0 GIADRO CCSc1cc(Cl)ccc1C(=O)N1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000461001685 823557623 /nfs/dbraw/zinc/55/76/23/823557623.db2.gz RFIYFHWGLXKYHO-MRXNPFEDSA-N 1 0 384.973 4.025 20 0 GIADRO Cc1cc(C(=O)NC2CC[NH+](Cc3cnc4ccc(C)cc4c3)CC2)c(C)o1 ZINC000411213469 823557674 /nfs/dbraw/zinc/55/76/74/823557674.db2.gz CUXWSHIRIZXECE-UHFFFAOYSA-N 1 0 377.488 4.147 20 0 GIADRO CC(C)C[C@@H](CNC(=O)c1cc(NC(=O)CC(C)(C)C)ccc1Cl)[NH+](C)C ZINC000461003763 823557846 /nfs/dbraw/zinc/55/78/46/823557846.db2.gz WMFXYRVQCDRZRU-INIZCTEOSA-N 1 0 395.975 4.421 20 0 GIADRO CC[NH+]1CCC(NC(=O)C23C[C@@H]4C[C@H](C2)CC(c2ccc(C)cc2)(C4)C3)CC1 ZINC000060793371 823558008 /nfs/dbraw/zinc/55/80/08/823558008.db2.gz BRDFSHLEXSONMY-KVEMZPMDSA-N 1 0 380.576 4.434 20 0 GIADRO O=C(Nc1nc(-c2cccc(F)c2)cs1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000411225854 823558848 /nfs/dbraw/zinc/55/88/48/823558848.db2.gz SDWQOIUVIKPLNR-INIZCTEOSA-N 1 0 391.537 4.105 20 0 GIADRO COc1ccc([C@H](C[NH2+]Cc2c(Cl)cccc2Cl)N2CCOCC2)cc1 ZINC000060818122 823559697 /nfs/dbraw/zinc/55/96/97/823559697.db2.gz GHEQDBFAYNRHMO-FQEVSTJZSA-N 1 0 395.330 4.165 20 0 GIADRO CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@H](COC)c1cccc(Cl)c1)c1ccco1 ZINC000461019721 823560068 /nfs/dbraw/zinc/56/00/68/823560068.db2.gz AWDYKQFEDAJAAS-BMGDILEWSA-N 1 0 393.915 4.049 20 0 GIADRO COc1ccc(C(=O)C2CC[NH+](Cc3c[nH]nc3-c3ccc(F)cc3)CC2)cc1 ZINC000124017425 823560304 /nfs/dbraw/zinc/56/03/04/823560304.db2.gz CEUWWHXGBQWULJ-UHFFFAOYSA-N 1 0 393.462 4.319 20 0 GIADRO CCOc1cc(C[NH2+]C[C@H](c2ccc(OC)cc2)N2CCCCC2)ccc1OC ZINC000060828346 823560631 /nfs/dbraw/zinc/56/06/31/823560631.db2.gz HANJVCBKOLINPK-JOCHJYFZSA-N 1 0 398.547 4.419 20 0 GIADRO COc1ccc(C[NH2+]CCCN2CCCCCC2=O)cc1OCc1ccccc1 ZINC000060831037 823560805 /nfs/dbraw/zinc/56/08/05/823560805.db2.gz DDTNSINTASLZKE-UHFFFAOYSA-N 1 0 396.531 4.157 20 0 GIADRO Cc1ccc(C[NH2+]Cc2c(C3CC3)nc3sccn23)c(-n2cc(Cl)cn2)n1 ZINC000190305562 823561082 /nfs/dbraw/zinc/56/10/82/823561082.db2.gz DQIRTUWYKINJEM-UHFFFAOYSA-N 1 0 398.923 4.106 20 0 GIADRO S=C(NCC1CC[NH+](Cc2cccs2)CC1)Nc1ccc2c(c1)CCC2 ZINC000060837382 823561180 /nfs/dbraw/zinc/56/11/80/823561180.db2.gz SZBSAORFSXPJSO-UHFFFAOYSA-N 1 0 385.602 4.435 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC000124032760 823561401 /nfs/dbraw/zinc/56/14/01/823561401.db2.gz XBSRXXUHAPVHFP-UHFFFAOYSA-N 1 0 389.499 4.290 20 0 GIADRO C[C@](CO)([NH2+]Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1)C1CCCCC1 ZINC000411285180 823562219 /nfs/dbraw/zinc/56/22/19/823562219.db2.gz QXCKPAYCZMPMHN-HXUWFJFHSA-N 1 0 387.505 4.078 20 0 GIADRO Cc1csc([C@H](NC(=O)[C@@H](C)[NH+]2CCC(Cc3ccccc3)CC2)C2CC2)n1 ZINC000461034560 823562708 /nfs/dbraw/zinc/56/27/08/823562708.db2.gz ORENRZPCZTVZDJ-DYESRHJHSA-N 1 0 397.588 4.362 20 0 GIADRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1cn(C(C)(C)C)nc1-c1ccc(F)cc1F ZINC000461036470 823563079 /nfs/dbraw/zinc/56/30/79/823563079.db2.gz DSXAFWXKMCOJFG-CQSZACIVSA-N 1 0 392.494 4.042 20 0 GIADRO Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000461039239 823563749 /nfs/dbraw/zinc/56/37/49/823563749.db2.gz UWASBWBHWHTLDZ-CYBMUJFWSA-N 1 0 395.956 4.142 20 0 GIADRO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)CCC(=O)Nc1ccccc1Br ZINC000411316531 823564354 /nfs/dbraw/zinc/56/43/54/823564354.db2.gz AFMKNJGPXDYMOJ-AWEZNQCLSA-N 1 0 391.309 4.046 20 0 GIADRO COc1ccc(CCNC(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)cc1 ZINC000060909116 823565721 /nfs/dbraw/zinc/56/57/21/823565721.db2.gz CZIKRTQPIXCCSO-LJQANCHMSA-N 1 0 395.547 4.112 20 0 GIADRO COc1ccc(CNC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000060909894 823565945 /nfs/dbraw/zinc/56/59/45/823565945.db2.gz RDQLAJROLBLPAC-GOSISDBHSA-N 1 0 381.520 4.069 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)Cc2csc(-c3ccc(Cl)s3)n2)CC[N@@H+]1C ZINC000124081430 823566011 /nfs/dbraw/zinc/56/60/11/823566011.db2.gz HEXOAQVVAGJZTD-AAEUAGOBSA-N 1 0 383.970 4.009 20 0 GIADRO COc1ccc2oc(C[NH2+]Cc3cccc(NC(=O)c4ccncc4)c3)cc2c1 ZINC000124083802 823566143 /nfs/dbraw/zinc/56/61/43/823566143.db2.gz MJYOEIVFQGNXFG-UHFFFAOYSA-N 1 0 387.439 4.379 20 0 GIADRO CC(C)[N@H+](CCC1(O)CCC1)CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000411361328 823566489 /nfs/dbraw/zinc/56/64/89/823566489.db2.gz HBDRSGDJUZQUEH-UHFFFAOYSA-N 1 0 392.849 4.313 20 0 GIADRO O=C(CC[NH2+]C1(c2ccc(Cl)cc2)CCOCC1)NCC1CCCCC1 ZINC000411369970 823566889 /nfs/dbraw/zinc/56/68/89/823566889.db2.gz RWTSKFOTQIINQD-UHFFFAOYSA-N 1 0 378.944 4.022 20 0 GIADRO COc1ccc([C@H](C)N(C)C(=O)NCc2ccccc2C[N@H+](C)C(C)C)cc1 ZINC000124092760 823566974 /nfs/dbraw/zinc/56/69/74/823566974.db2.gz DGCKFNQBNXEVHR-SFHVURJKSA-N 1 0 383.536 4.438 20 0 GIADRO CC(C)Oc1ccc(NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)cc1Cl ZINC000411373676 823567065 /nfs/dbraw/zinc/56/70/65/823567065.db2.gz ZGXBZAIHWUBYHW-INIZCTEOSA-N 1 0 382.957 4.283 20 0 GIADRO COc1ccccc1CNC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000060937330 823567897 /nfs/dbraw/zinc/56/78/97/823567897.db2.gz GONVREOOYAIERY-GOSISDBHSA-N 1 0 381.520 4.069 20 0 GIADRO CC[C@](C)([NH2+]CCC(=O)Nc1ccccc1Br)c1nc(C)cs1 ZINC000411383601 823568217 /nfs/dbraw/zinc/56/82/17/823568217.db2.gz HYURAUYNZCHRFQ-KRWDZBQOSA-N 1 0 396.354 4.458 20 0 GIADRO COC(=O)[C@@H](C)[C@H]([NH2+]CCc1nc(-c2ccc(Cl)cc2)no1)c1ccccc1 ZINC000411387121 823568562 /nfs/dbraw/zinc/56/85/62/823568562.db2.gz IXHWMVLUESUJJV-LIRRHRJNSA-N 1 0 399.878 4.073 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)CC[NH2+]C1(c2nccs2)CCCC1 ZINC000411387694 823568729 /nfs/dbraw/zinc/56/87/29/823568729.db2.gz NBAJPQWXHSJEOY-UHFFFAOYSA-N 1 0 379.913 4.193 20 0 GIADRO COc1ccc(C[NH2+]CCc2cc(C)c(O)c(C)c2)cc1OCc1cccnc1 ZINC000190391118 823568787 /nfs/dbraw/zinc/56/87/87/823568787.db2.gz GFAZMUKPXWBBHN-UHFFFAOYSA-N 1 0 392.499 4.324 20 0 GIADRO Fc1ccccc1COc1ccc(C[NH2+]C2CCN(CC(F)F)CC2)cc1 ZINC000060953548 823569162 /nfs/dbraw/zinc/56/91/62/823569162.db2.gz LPRLEFIUJBQFBO-UHFFFAOYSA-N 1 0 378.438 4.224 20 0 GIADRO COc1cc(C[NH2+]Cc2cccc3c2OCO3)ccc1OCc1ccccc1 ZINC000060959884 823569667 /nfs/dbraw/zinc/56/96/67/823569667.db2.gz HYRDOHLWTMLFBZ-UHFFFAOYSA-N 1 0 377.440 4.293 20 0 GIADRO COC(=O)c1cc(C[N@@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)cs1 ZINC000411399797 823570382 /nfs/dbraw/zinc/57/03/82/823570382.db2.gz MISUPFRMEDJYBG-LLVKDONJSA-N 1 0 390.452 4.390 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)N2CCC(Nc3nccs3)CC2)cc1)C(C)C ZINC000190414797 823570589 /nfs/dbraw/zinc/57/05/89/823570589.db2.gz OHSPVQOVALMXTG-UHFFFAOYSA-N 1 0 386.565 4.090 20 0 GIADRO Cc1ccc(C(=O)c2ccccc2C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1C ZINC000124134813 823570719 /nfs/dbraw/zinc/57/07/19/823570719.db2.gz VFDABRQGTFEUIU-QUCCMNQESA-N 1 0 378.516 4.089 20 0 GIADRO O=C(CC[NH+]1CCC(O)(C(F)(F)F)CC1)Nc1ccccc1-c1ccccc1 ZINC000411412684 823571464 /nfs/dbraw/zinc/57/14/64/823571464.db2.gz XQIRFVATEHHOJW-UHFFFAOYSA-N 1 0 392.421 4.071 20 0 GIADRO C[C@H](c1ccccn1)[N@H+](C)CCc1nc2sc3c(c2c(N)n1)CC[C@H](C)C3 ZINC000411420311 823572014 /nfs/dbraw/zinc/57/20/14/823572014.db2.gz LMYLEJQVKQXTRW-UONOGXRCSA-N 1 0 381.549 4.029 20 0 GIADRO CCOc1cc(CNC2CC(C)(C)[NH2+]C(C)(C)C2)cc(Br)c1OC ZINC000061003150 823572186 /nfs/dbraw/zinc/57/21/86/823572186.db2.gz LVDNZVVYPUCNRH-UHFFFAOYSA-N 1 0 399.373 4.255 20 0 GIADRO CCCOc1ccc(C[NH2+][C@H]2CCCO[C@@H]2c2nccn2CC)cc1OCC ZINC000190427176 823572205 /nfs/dbraw/zinc/57/22/05/823572205.db2.gz XQMXMHRMKXQZGU-RXVVDRJESA-N 1 0 387.524 4.100 20 0 GIADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)CCCc2c[nH]c3ccccc23)CC1 ZINC000124154976 823572447 /nfs/dbraw/zinc/57/24/47/823572447.db2.gz AKXZVSNFDZOFPD-UHFFFAOYSA-N 1 0 379.504 4.207 20 0 GIADRO O=S1(=O)CCCN1c1ccc(C[NH2+][C@H](c2ccccc2)C2CCCC2)cc1 ZINC000461081793 823572641 /nfs/dbraw/zinc/57/26/41/823572641.db2.gz BNBNAMQQVVQKDK-JOCHJYFZSA-N 1 0 384.545 4.248 20 0 GIADRO Fc1ccc([C@@H](C[NH2+]Cc2ccc(Cl)cc2Cl)N2CCOCC2)cc1 ZINC000061013030 823572902 /nfs/dbraw/zinc/57/29/02/823572902.db2.gz OFXJLNHIIIJRKX-LJQANCHMSA-N 1 0 383.294 4.296 20 0 GIADRO Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+]C[C@@H](c1cccs1)N(C)C ZINC000061013618 823572966 /nfs/dbraw/zinc/57/29/66/823572966.db2.gz VISWSYQAFVMSEB-KRWDZBQOSA-N 1 0 392.931 4.427 20 0 GIADRO Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1CNCC(C)(C)[NH+](C)C ZINC000061015259 823573146 /nfs/dbraw/zinc/57/31/46/823573146.db2.gz QOMYLECDYCJVIP-UHFFFAOYSA-N 1 0 388.865 4.283 20 0 GIADRO CCCNC(=O)c1cccc(NC(=O)c2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000411429490 823573217 /nfs/dbraw/zinc/57/32/17/823573217.db2.gz QFBJHAPGYHCYMP-UHFFFAOYSA-N 1 0 379.504 4.065 20 0 GIADRO O=C(NCc1cccc(Cl)c1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000061021247 823573662 /nfs/dbraw/zinc/57/36/62/823573662.db2.gz KUPDVVNIMKJIPY-UHFFFAOYSA-N 1 0 377.941 4.113 20 0 GIADRO Cc1ccccc1[C@H](CC(C)C)[NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1 ZINC000461085737 823573673 /nfs/dbraw/zinc/57/36/73/823573673.db2.gz IPGAUUXGHDJQRI-QFIPXVFZSA-N 1 0 386.561 4.412 20 0 GIADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2csc(-c3cccs3)n2)CC1 ZINC000124170041 823574130 /nfs/dbraw/zinc/57/41/30/823574130.db2.gz AQSMHDHFQFKYRI-UHFFFAOYSA-N 1 0 387.530 4.201 20 0 GIADRO CCC[NH+]1CCC(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)o2)CC1 ZINC000061031588 823574453 /nfs/dbraw/zinc/57/44/53/823574453.db2.gz OZPUXHRZIDLLPR-UHFFFAOYSA-N 1 0 392.503 4.045 20 0 GIADRO COc1cc(C)c([C@@H](C)[NH2+]CCC(=O)NCc2ccccc2Cl)cc1OC ZINC000411443423 823574554 /nfs/dbraw/zinc/57/45/54/823574554.db2.gz IVUUZDMKBBWRRF-OAHLLOKOSA-N 1 0 390.911 4.023 20 0 GIADRO CC[C@]1(C)Oc2ccc(NC(=O)N3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cc2O1 ZINC000190441740 823574724 /nfs/dbraw/zinc/57/47/24/823574724.db2.gz UZQFJKPWSTWJQJ-FXCLAUTBSA-N 1 0 385.508 4.065 20 0 GIADRO O=C(NC1CC1)[C@H]([NH2+][C@H]1C[C@H](c2ccc(Br)cc2)C1)c1ccccc1 ZINC000461090418 823574802 /nfs/dbraw/zinc/57/48/02/823574802.db2.gz SNRTVEOBRBURQA-NSISKUIASA-N 1 0 399.332 4.305 20 0 GIADRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)C[C@H](c2ccccc2)C1 ZINC000461093214 823575298 /nfs/dbraw/zinc/57/52/98/823575298.db2.gz VVEAZMBWHMFVOO-VLCRHTCISA-N 1 0 398.572 4.289 20 0 GIADRO CC[NH+](CC)CCN(C(=O)CCc1nccs1)c1cccc(C(F)(F)F)c1 ZINC000461092947 823575343 /nfs/dbraw/zinc/57/53/43/823575343.db2.gz ZYFMHORJHLKMFJ-UHFFFAOYSA-N 1 0 399.482 4.470 20 0 GIADRO COc1cc(Br)ccc1[C@H](C)[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000190445604 823575368 /nfs/dbraw/zinc/57/53/68/823575368.db2.gz YYJWCQWAGOMQFA-AWEZNQCLSA-N 1 0 386.293 4.494 20 0 GIADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2ccc(OC3CCCC3)cc2)CC1 ZINC000124183426 823575411 /nfs/dbraw/zinc/57/54/11/823575411.db2.gz POWHQDQXTDDEAG-UHFFFAOYSA-N 1 0 382.504 4.338 20 0 GIADRO C[C@H]([NH2+]CC(=O)N1CCCC[C@H]1C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000411450969 823575943 /nfs/dbraw/zinc/57/59/43/823575943.db2.gz HOIGMVXNSLXZSN-SJORKVTESA-N 1 0 397.494 4.130 20 0 GIADRO COc1ccc([C@@H]([NH2+]C[C@]2(OC)CCOC2)c2ccccc2Cl)c(C)c1 ZINC000461096063 823576058 /nfs/dbraw/zinc/57/60/58/823576058.db2.gz SOOQANQATSLNPR-NHCUHLMSSA-N 1 0 375.896 4.142 20 0 GIADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(OCc3ccccn3)cc2)C1 ZINC000461096622 823576214 /nfs/dbraw/zinc/57/62/14/823576214.db2.gz HHCJMNMCKXDUCR-LJQANCHMSA-N 1 0 395.547 4.291 20 0 GIADRO COc1cc(F)c([C@@H](C)[NH2+]CCC(=O)Nc2ccccc2SC)cc1OC ZINC000411453385 823576293 /nfs/dbraw/zinc/57/62/93/823576293.db2.gz BQMSVFAHYITVJU-CYBMUJFWSA-N 1 0 392.496 4.244 20 0 GIADRO COc1cc([C@H](C)[NH2+]CCc2nc(-c3ccccc3)no2)ccc1OC(C)C ZINC000411456041 823576638 /nfs/dbraw/zinc/57/66/38/823576638.db2.gz UMRLUVQVGYHHDS-INIZCTEOSA-N 1 0 381.476 4.426 20 0 GIADRO Cc1cc(C2CC[NH+](CCC(=O)Nc3c(Cl)cccc3Cl)CC2)[nH]n1 ZINC000411454685 823576657 /nfs/dbraw/zinc/57/66/57/823576657.db2.gz XUBAQOQTJHKLAX-UHFFFAOYSA-N 1 0 381.307 4.233 20 0 GIADRO Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000411456038 823576665 /nfs/dbraw/zinc/57/66/65/823576665.db2.gz MGDAGULLMVSAKI-BZSNNMDCSA-N 1 0 379.504 4.447 20 0 GIADRO CO[C@@]1(C[NH2+][C@H](c2ccc(Cl)cc2)c2ccc(OC(F)F)cc2)CCOC1 ZINC000461098594 823576820 /nfs/dbraw/zinc/57/68/20/823576820.db2.gz AYFRCRQPNLNDKV-UYAOXDASSA-N 1 0 397.849 4.426 20 0 GIADRO COc1ccc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(OCc2ccccc2)c1 ZINC000190454463 823576918 /nfs/dbraw/zinc/57/69/18/823576918.db2.gz AXCOQFNXLSTSJL-HKUYNNGSSA-N 1 0 397.519 4.221 20 0 GIADRO Clc1cccc(-c2noc(CC[NH2+][C@@H](c3ccccc3)[C@@H]3CCOC3)n2)c1 ZINC000411458636 823577120 /nfs/dbraw/zinc/57/71/20/823577120.db2.gz JWQSJNMXXLWPPU-XLIONFOSSA-N 1 0 383.879 4.300 20 0 GIADRO Fc1cccc(N2CCCC2)c1C[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000124205126 823577255 /nfs/dbraw/zinc/57/72/55/823577255.db2.gz WAIRSBLRMLZFLW-SFHVURJKSA-N 1 0 397.542 4.123 20 0 GIADRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCc2nc3cc(Cl)ccc3s2)C[C@H]1C ZINC000461100756 823577357 /nfs/dbraw/zinc/57/73/57/823577357.db2.gz RHMKZAYZGMXOMT-BPLDGKMQSA-N 1 0 380.941 4.450 20 0 GIADRO CSc1ccc(OC[C@H](O)C[NH2+][C@@H](CC(F)(F)F)c2ccccc2)cc1 ZINC000411461263 823577606 /nfs/dbraw/zinc/57/76/06/823577606.db2.gz SPMFWEZKEYPSIY-QAPCUYQASA-N 1 0 385.451 4.432 20 0 GIADRO CC(C)[N@@H+](Cc1ccc(NC(=O)[C@@H]2[C@H](C)C2(F)F)cc1)C[C@@H]1CCCCO1 ZINC000461101614 823577642 /nfs/dbraw/zinc/57/76/42/823577642.db2.gz SOHDYSCPEKEFQF-SNRMKQJTSA-N 1 0 380.479 4.306 20 0 GIADRO Cc1nc(CC(C)C)oc1C(=O)Nc1ccc(OCC[NH+]2CCCC2)c(C)c1 ZINC000190461924 823577778 /nfs/dbraw/zinc/57/77/78/823577778.db2.gz HJIYEOWCWYZSQU-UHFFFAOYSA-N 1 0 385.508 4.217 20 0 GIADRO CC[C@@]1(C)Oc2ccc(NC(=O)N(CC[NH+](C)C)Cc3cccs3)cc2O1 ZINC000190466712 823578293 /nfs/dbraw/zinc/57/82/93/823578293.db2.gz OEEIYUIOAJFBCK-FQEVSTJZSA-N 1 0 389.521 4.241 20 0 GIADRO CCOC(=O)c1ccc(C[NH2+]C2(c3cccc(C(F)(F)F)c3)CCC2)nc1 ZINC000411468238 823578280 /nfs/dbraw/zinc/57/82/80/823578280.db2.gz ANDLOXVRVAXZQR-UHFFFAOYSA-N 1 0 378.394 4.446 20 0 GIADRO CC[C@@H]([NH2+]CC(=O)Nc1ccc(N2CCCC2)cc1C)c1ccc(OC)cc1 ZINC000124217579 823578364 /nfs/dbraw/zinc/57/83/64/823578364.db2.gz XBTHYVLLQFEGMQ-OAQYLSRUSA-N 1 0 381.520 4.283 20 0 GIADRO Cc1ccc(C)c(Oc2ccc(CNC(=O)NCC3([NH+](C)C)CCCC3)cn2)c1 ZINC000061114249 823578880 /nfs/dbraw/zinc/57/88/80/823578880.db2.gz AIHZMPZKTQLHES-UHFFFAOYSA-N 1 0 396.535 4.164 20 0 GIADRO Clc1ccc(CC[NH2+]Cc2ccccc2I)s1 ZINC000061115232 823579006 /nfs/dbraw/zinc/57/90/06/823579006.db2.gz LMDDPSFIGISJTE-UHFFFAOYSA-N 1 0 377.678 4.338 20 0 GIADRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000461109166 823579158 /nfs/dbraw/zinc/57/91/58/823579158.db2.gz CTUMWABQOCNDCG-QGZVFWFLSA-N 1 0 380.454 4.260 20 0 GIADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2csc(-c3ccc(F)cc3)n2)o1 ZINC000124228527 823579249 /nfs/dbraw/zinc/57/92/49/823579249.db2.gz RCPGLLWPPVTUPM-UHFFFAOYSA-N 1 0 387.480 4.055 20 0 GIADRO CC[C@@H]([NH2+]Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C1CCOCC1 ZINC000411479857 823579646 /nfs/dbraw/zinc/57/96/46/823579646.db2.gz MZJNBXSEKUUHBC-QGZVFWFLSA-N 1 0 383.517 4.359 20 0 GIADRO C[C@@H]([NH2+]CCC(=O)N1CCc2sccc2C1)c1ccc(-c2cccnc2)cc1 ZINC000411478699 823579666 /nfs/dbraw/zinc/57/96/66/823579666.db2.gz SLVQZPKCDBIRGR-QGZVFWFLSA-N 1 0 391.540 4.436 20 0 GIADRO CC[C@@H]([NH2+]CC(=O)Nc1ccc(C)cc1Br)c1ccc(OC)cc1 ZINC000124234720 823579797 /nfs/dbraw/zinc/57/97/97/823579797.db2.gz DYHSUYOOHSJHTR-QGZVFWFLSA-N 1 0 391.309 4.446 20 0 GIADRO OCC[C@H]([NH2+][C@H]1CCCc2nc(-c3ccccc3F)sc21)C1CCOCC1 ZINC000461112779 823579938 /nfs/dbraw/zinc/57/99/38/823579938.db2.gz UWGMEGNBKKJORL-ROUUACIJSA-N 1 0 390.524 4.094 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(OC)cc2OCc2ccccc2)C1 ZINC000190487435 823580389 /nfs/dbraw/zinc/58/03/89/823580389.db2.gz IMLZKBZTMLYWCT-LJQANCHMSA-N 1 0 397.519 4.080 20 0 GIADRO CC(C)[NH+]1CCN(c2ccc(C(=O)N(Cc3cccc(F)c3)C3CC3)cc2)CC1 ZINC000061139038 823580396 /nfs/dbraw/zinc/58/03/96/823580396.db2.gz KCZFQIUHIWRPEG-UHFFFAOYSA-N 1 0 395.522 4.161 20 0 GIADRO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N[C@H]1CCSc2ccccc21 ZINC000061141663 823580570 /nfs/dbraw/zinc/58/05/70/823580570.db2.gz NKXLQNODZHRETI-QUCCMNQESA-N 1 0 381.545 4.187 20 0 GIADRO Fc1cc(-c2ncco2)ccc1C[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000411489111 823580735 /nfs/dbraw/zinc/58/07/35/823580735.db2.gz MGIPNKUHMRIZPF-OAQYLSRUSA-N 1 0 380.419 4.493 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)CSCc2cc(-c3cccs3)on2)c1 ZINC000061158524 823581229 /nfs/dbraw/zinc/58/12/29/823581229.db2.gz PBVDCDZEEUWFTD-UHFFFAOYSA-N 1 0 387.530 4.337 20 0 GIADRO O=S(=O)(CC[N@H+](C1CC1)C1CCCCC1)c1ccc(Br)cc1 ZINC000061163242 823581602 /nfs/dbraw/zinc/58/16/02/823581602.db2.gz ZKVDKCMCYWLDLF-UHFFFAOYSA-N 1 0 386.355 4.020 20 0 GIADRO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C[N@@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000411498745 823581741 /nfs/dbraw/zinc/58/17/41/823581741.db2.gz BQLJNEFUQNSHGR-CWRNSKLLSA-N 1 0 382.451 4.340 20 0 GIADRO COc1cc([C@@H](C)NC(=O)NCC(C)(C)[NH+]2CCCCC2)ccc1OC(C)C ZINC000061185480 823582632 /nfs/dbraw/zinc/58/26/32/823582632.db2.gz GUNTZACAGJBLOB-QGZVFWFLSA-N 1 0 391.556 4.107 20 0 GIADRO CC[C@@H]([NH2+]CCC(=O)Nc1ccc(Br)cc1)c1nc(C)cs1 ZINC000411513160 823583042 /nfs/dbraw/zinc/58/30/42/823583042.db2.gz OFMRXCUOZGNYTR-CQSZACIVSA-N 1 0 382.327 4.284 20 0 GIADRO Cc1csc([C@H](C)[NH2+]CCC(=O)Nc2ccc(Br)cc2F)n1 ZINC000411518341 823583648 /nfs/dbraw/zinc/58/36/48/823583648.db2.gz IGZBYFKWEOMYNJ-JTQLQIEISA-N 1 0 386.290 4.033 20 0 GIADRO Cc1cc([C@H](C)[NH2+]CCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)c(C)o1 ZINC000411518267 823583816 /nfs/dbraw/zinc/58/38/16/823583816.db2.gz IAEBLXQHZROIEN-HNNXBMFYSA-N 1 0 380.492 4.378 20 0 GIADRO CC[C@H]([NH2+]CCC(=O)Nc1cc(OC)c(Cl)cc1OC)c1c(C)noc1C ZINC000411519243 823583981 /nfs/dbraw/zinc/58/39/81/823583981.db2.gz ROOZENPYPDVIBS-AWEZNQCLSA-N 1 0 395.887 4.032 20 0 GIADRO Cc1nc(CC2CC2)sc1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000190534789 823584087 /nfs/dbraw/zinc/58/40/87/823584087.db2.gz BCMKSFIGMLSMPZ-UHFFFAOYSA-N 1 0 389.590 4.108 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]CC(=O)N1CCCC[C@@H]1C ZINC000411522820 823584473 /nfs/dbraw/zinc/58/44/73/823584473.db2.gz XGEJKLUSAIPGRQ-UONOGXRCSA-N 1 0 375.513 4.309 20 0 GIADRO Cc1ccc(C(C)(C)[NH2+]CCC(=O)Nc2ccc(Br)cc2F)cn1 ZINC000411523774 823584536 /nfs/dbraw/zinc/58/45/36/823584536.db2.gz GNVHYDWHJXEBBH-UHFFFAOYSA-N 1 0 394.288 4.145 20 0 GIADRO Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)CC2CCCCC2)C1 ZINC000190539875 823584608 /nfs/dbraw/zinc/58/46/08/823584608.db2.gz KKNXFNJFJLSRHJ-QFBILLFUSA-N 1 0 377.598 4.338 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)N2CCC(c3ccncc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000190552762 823585659 /nfs/dbraw/zinc/58/56/59/823585659.db2.gz KAXAKYWLAZLKDS-AUSIDOKSSA-N 1 0 392.547 4.024 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[NH2+]C(C)(C)c1cccs1 ZINC000411536088 823585945 /nfs/dbraw/zinc/58/59/45/823585945.db2.gz SMNPWXAQGURPNB-UHFFFAOYSA-N 1 0 382.533 4.404 20 0 GIADRO C[C@@H](NC1CC[NH+](CCc2ccccc2)CC1)c1noc(-c2ccccc2)n1 ZINC000124317806 823586720 /nfs/dbraw/zinc/58/67/20/823586720.db2.gz RBONJUOKJWTKPR-GOSISDBHSA-N 1 0 376.504 4.094 20 0 GIADRO Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)c2cc3ccccc3o2)C1 ZINC000190563772 823586789 /nfs/dbraw/zinc/58/67/89/823586789.db2.gz GIXPIPJDQATAKT-RDJZCZTQSA-N 1 0 397.544 4.282 20 0 GIADRO CCOc1ccc(-c2nc(C(=O)N3CCC(CC[NH+](C)C)CC3)cs2)cc1 ZINC000124318465 823586884 /nfs/dbraw/zinc/58/68/84/823586884.db2.gz RFFSHKHZAWWTQY-UHFFFAOYSA-N 1 0 387.549 4.013 20 0 GIADRO Cc1ccc([C@@H](C)[N@H+](C)CC(=O)N(C)Cc2ccccc2Br)cc1 ZINC000061255719 823587721 /nfs/dbraw/zinc/58/77/21/823587721.db2.gz WXCQCYBDPCJQCD-MRXNPFEDSA-N 1 0 389.337 4.409 20 0 GIADRO Brc1ccc([C@@H]([NH2+]Cc2cccnc2-n2ccnc2)C2CC2)s1 ZINC000190582016 823588295 /nfs/dbraw/zinc/58/82/95/823588295.db2.gz ZYKDBMINBLPIDU-INIZCTEOSA-N 1 0 389.322 4.332 20 0 GIADRO O=C(Nc1ccccc1CN1CCSCC1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000061285141 823589358 /nfs/dbraw/zinc/58/93/58/823589358.db2.gz OJAYBLCUYZDJQT-UHFFFAOYSA-N 1 0 395.572 4.084 20 0 GIADRO C[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000411592481 823589573 /nfs/dbraw/zinc/58/95/73/823589573.db2.gz XSAIHZXZZSGWFK-MRXNPFEDSA-N 1 0 398.469 4.241 20 0 GIADRO COc1ccccc1C(C)(C)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000061286996 823589761 /nfs/dbraw/zinc/58/97/61/823589761.db2.gz DAYWNGVFARKSGB-UHFFFAOYSA-N 1 0 398.572 4.203 20 0 GIADRO Cc1ccc(CSCC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)cc1 ZINC000061286480 823589841 /nfs/dbraw/zinc/58/98/41/823589841.db2.gz MXOGEOJAXSWBLN-UHFFFAOYSA-N 1 0 386.586 4.416 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)C[C@H]2c3ccccc3CCN2C(C)=O)cc1 ZINC000190597384 823589852 /nfs/dbraw/zinc/58/98/52/823589852.db2.gz GTRGQYCPMRCDQC-QHCPKHFHSA-N 1 0 393.531 4.003 20 0 GIADRO C[C@H](NC1CC[NH+](CCc2ccc(F)cc2)CC1)c1noc(-c2ccccc2)n1 ZINC000124360488 823590176 /nfs/dbraw/zinc/59/01/76/823590176.db2.gz OGISHJYEZGIHNB-KRWDZBQOSA-N 1 0 394.494 4.233 20 0 GIADRO C[C@@H](NC1CC[NH+](CCc2ccc(F)cc2)CC1)c1noc(-c2ccccc2)n1 ZINC000124360707 823590188 /nfs/dbraw/zinc/59/01/88/823590188.db2.gz OGISHJYEZGIHNB-QGZVFWFLSA-N 1 0 394.494 4.233 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)c1c(F)cccc1Cl ZINC000061289740 823590177 /nfs/dbraw/zinc/59/01/77/823590177.db2.gz FIXQNYJURQDHNS-UHFFFAOYSA-N 1 0 378.900 4.323 20 0 GIADRO Cc1cc(CSc2ccccc2C(=O)N2CCC(CC[NH+](C)C)CC2)on1 ZINC000124366423 823590638 /nfs/dbraw/zinc/59/06/38/823590638.db2.gz XTYOARGSFGDITD-UHFFFAOYSA-N 1 0 387.549 4.079 20 0 GIADRO C[C@@H](CO)[N@H+](Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C1CCCC1 ZINC000411611606 823590733 /nfs/dbraw/zinc/59/07/33/823590733.db2.gz ZFOCXTOTIOPOCP-AWEZNQCLSA-N 1 0 383.517 4.189 20 0 GIADRO 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 823591109 /nfs/dbraw/zinc/59/11/09/823591109.db2.gz WIIGRWLUNHOMJP-WBVHZDCISA-N 1 0 399.583 4.173 20 0 GIADRO CC(C)(C)[NH+]1CCC(NC(=O)Nc2cc(F)cc(F)c2Br)CC1 ZINC000190609232 823591241 /nfs/dbraw/zinc/59/12/41/823591241.db2.gz ZKOOJNMTVIYLMF-UHFFFAOYSA-N 1 0 390.272 4.112 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)Nc1cccc(-c2cccs2)c1 ZINC000124373888 823591389 /nfs/dbraw/zinc/59/13/89/823591389.db2.gz OECTUHGUJHRUQR-UHFFFAOYSA-N 1 0 393.512 4.362 20 0 GIADRO CC(C)([NH2+]CCc1nc2ccccc2c(=O)[nH]1)c1ccc(OC(F)(F)F)cc1 ZINC000411619737 823591420 /nfs/dbraw/zinc/59/14/20/823591420.db2.gz LCNJEUZCHNTMSA-UHFFFAOYSA-N 1 0 391.393 4.301 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F)[C@H](O)c1ccc(F)cc1 ZINC000124382468 823592014 /nfs/dbraw/zinc/59/20/14/823592014.db2.gz JVRQUDVTZOBWID-QUJCMNEKSA-N 1 0 398.400 4.273 20 0 GIADRO O=C(C1CCCC1)N1CC[C@H]([NH2+][C@H](c2ccc(Br)s2)C2CC2)C1 ZINC000190616117 823592163 /nfs/dbraw/zinc/59/21/63/823592163.db2.gz NZJUQSDHZIXHEN-YOEHRIQHSA-N 1 0 397.382 4.342 20 0 GIADRO CCC1(CC)[C@@H]([NH2+]CCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)C[C@@H]1OC ZINC000411630921 823592433 /nfs/dbraw/zinc/59/24/33/823592433.db2.gz KYAUNVCCRBDBBL-PMACEKPBSA-N 1 0 398.551 4.001 20 0 GIADRO C[C@H]([NH2+]CC(=O)N(C)Cc1ccco1)c1cccc(OCc2ccccc2)c1 ZINC000411635472 823592772 /nfs/dbraw/zinc/59/27/72/823592772.db2.gz NKNNIGUGOUOUSH-SFHVURJKSA-N 1 0 378.472 4.168 20 0 GIADRO C[C@H]1CC[C@@H]([N@H+](CCO)Cc2nc(=O)c3cc(-c4ccccc4)sc3[nH]2)C1 ZINC000411639418 823593115 /nfs/dbraw/zinc/59/31/15/823593115.db2.gz FITYGBUGNVDBNG-GOEBONIOSA-N 1 0 383.517 4.047 20 0 GIADRO OCCC[C@H]([NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccccc1 ZINC000124406703 823594008 /nfs/dbraw/zinc/59/40/08/823594008.db2.gz NVTVXENPSLPMPB-IBGZPJMESA-N 1 0 389.421 4.495 20 0 GIADRO COc1ccc(C[NH2+]CCCc2nc3ccccc3n2C)cc1Br ZINC000124406218 823594044 /nfs/dbraw/zinc/59/40/44/823594044.db2.gz CXJRGCWUQGYWDS-UHFFFAOYSA-N 1 0 388.309 4.067 20 0 GIADRO Cc1ccccc1[C@H](CC(F)(F)F)[NH2+]CCc1nc2ccccc2c(=O)[nH]1 ZINC000411651230 823594221 /nfs/dbraw/zinc/59/42/21/823594221.db2.gz XIPFYCDJJWKKID-KRWDZBQOSA-N 1 0 375.394 4.470 20 0 GIADRO CCOc1ccc(NC(=O)CC[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000411651881 823594335 /nfs/dbraw/zinc/59/43/35/823594335.db2.gz SWZDOQAGLYBYOT-PZJWPPBQSA-N 1 0 388.895 4.187 20 0 GIADRO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)cc2)c1C ZINC000411652979 823594625 /nfs/dbraw/zinc/59/46/25/823594625.db2.gz VDDXPVKTSDBWJJ-IBNJYYFUSA-N 1 0 388.895 4.179 20 0 GIADRO COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000190646385 823595019 /nfs/dbraw/zinc/59/50/19/823595019.db2.gz VNTFQWKKXSHRPZ-KGLIPLIRSA-N 1 0 395.459 4.078 20 0 GIADRO COc1cccc([C@H](CNC(=O)CSc2ccc(C(C)C)cc2)[NH+](C)C)c1 ZINC000061396467 823595079 /nfs/dbraw/zinc/59/50/79/823595079.db2.gz RRSOXEDZQWLZDJ-NRFANRHFSA-N 1 0 386.561 4.330 20 0 GIADRO C[C@@H](CSCc1ccccc1)C(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000124446394 823597508 /nfs/dbraw/zinc/59/75/08/823597508.db2.gz SCZCIJMSOGPJNH-SFHVURJKSA-N 1 0 386.561 4.272 20 0 GIADRO Cc1ccc(Br)cc1C[NH2+][C@H](C)CC(=O)Nc1cccnc1Cl ZINC000190695376 823599084 /nfs/dbraw/zinc/59/90/84/823599084.db2.gz IGGRJTLDNUJWMD-GFCCVEGCSA-N 1 0 396.716 4.313 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)c2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000461210811 823599402 /nfs/dbraw/zinc/59/94/02/823599402.db2.gz FEWPSYUSYAOFOL-UHFFFAOYSA-N 1 0 383.517 4.408 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+]CCC(=O)Nc2ccccc2C(F)(F)F)C12CCCC2 ZINC000411716971 823599495 /nfs/dbraw/zinc/59/94/95/823599495.db2.gz GPTPGDWVXVANNM-DLBZAZTESA-N 1 0 384.442 4.361 20 0 GIADRO CCN(Cc1cccs1)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000124476085 823599953 /nfs/dbraw/zinc/59/99/53/823599953.db2.gz WPPUBVBXOUEWBV-UHFFFAOYSA-N 1 0 386.565 4.252 20 0 GIADRO Fc1cc(-c2ncco2)ccc1C[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000411724595 823600126 /nfs/dbraw/zinc/60/01/26/823600126.db2.gz YTGIQLWXQKBRAN-KCZVDYSFSA-N 1 0 378.447 4.485 20 0 GIADRO CCOc1ccccc1NC(=O)CC[NH2+][C@H]1CCC[C@H]1OCc1ccccc1 ZINC000411724182 823600247 /nfs/dbraw/zinc/60/02/47/823600247.db2.gz UCZHYANOPJVTSF-PZJWPPBQSA-N 1 0 382.504 4.141 20 0 GIADRO Cc1noc2nc(C)cc(C(=O)NCc3cccc(C[NH+]4CCCCCC4)c3)c12 ZINC000061503705 823600246 /nfs/dbraw/zinc/60/02/46/823600246.db2.gz VGBCQQGRYUZMRG-UHFFFAOYSA-N 1 0 392.503 4.146 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)c2cccc(-c3noc(CC(C)(C)C)n3)c2)CC1 ZINC000461217514 823600515 /nfs/dbraw/zinc/60/05/15/823600515.db2.gz LEOCCZMPWQDEKF-UHFFFAOYSA-N 1 0 398.551 4.177 20 0 GIADRO COCCOCC[N@H+](C)Cc1sc(-c2ccc(C(F)(F)F)cc2)nc1C ZINC000411733473 823600982 /nfs/dbraw/zinc/60/09/82/823600982.db2.gz GKZDGAXQXDEUJF-UHFFFAOYSA-N 1 0 388.455 4.232 20 0 GIADRO CC[C@@H](NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1OC ZINC000061521417 823601004 /nfs/dbraw/zinc/60/10/04/823601004.db2.gz AIBGWDROPSVAFI-OAQYLSRUSA-N 1 0 381.520 4.242 20 0 GIADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000411741268 823601426 /nfs/dbraw/zinc/60/14/26/823601426.db2.gz ZKXYGTDTLAJGQM-DOTOQJQBSA-N 1 0 386.458 4.000 20 0 GIADRO CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000411743736 823601739 /nfs/dbraw/zinc/60/17/39/823601739.db2.gz FZCCZERIAZBAMA-BHDDXSALSA-N 1 0 386.605 4.389 20 0 GIADRO CC[NH2+]Cc1ccccc1NC(=O)c1cccc(C(=O)N(C)CC(C)(C)C)c1 ZINC000124501180 823601915 /nfs/dbraw/zinc/60/19/15/823601915.db2.gz JVNHNPZOCJKOEG-UHFFFAOYSA-N 1 0 381.520 4.167 20 0 GIADRO COc1ccc(NC(=O)CC[NH2+][C@@H](CCO)c2ccc(Cl)cc2)cc1Cl ZINC000411744553 823601941 /nfs/dbraw/zinc/60/19/41/823601941.db2.gz UHOCMTIDUNJPKA-KRWDZBQOSA-N 1 0 397.302 4.044 20 0 GIADRO CN1CC[C@H]([NH2+]Cc2ccc(Br)cn2)[C@H]1c1ccc(Cl)cc1 ZINC000411749954 823602296 /nfs/dbraw/zinc/60/22/96/823602296.db2.gz PUTXEBWVXDNFRE-DLBZAZTESA-N 1 0 380.717 4.033 20 0 GIADRO C[C@@H]1C[NH+](Cc2ccc(C[NH2+]Cc3c([O-])ccc(Cl)c3F)cc2)C[C@@H](C)O1 ZINC000190730433 823602754 /nfs/dbraw/zinc/60/27/54/823602754.db2.gz YVNKPCMVCOOEEC-HUUCEWRRSA-N 1 0 392.902 4.084 20 0 GIADRO O=C(C[C@H](c1ccc(O)cc1)C1CC1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000411762253 823603341 /nfs/dbraw/zinc/60/33/41/823603341.db2.gz WXZPGWMOTJOYCL-JTSKRJEESA-N 1 0 398.572 4.366 20 0 GIADRO COc1cc(NC(=O)CC[NH2+][C@H](C)c2cccc(C3CC3)c2)cc(OC)c1OC ZINC000411766362 823603505 /nfs/dbraw/zinc/60/35/05/823603505.db2.gz BPPWFBZHNKZULQ-OAHLLOKOSA-N 1 0 398.503 4.269 20 0 GIADRO C[NH+]1CCN(Cc2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)CC1 ZINC000061556921 823603627 /nfs/dbraw/zinc/60/36/27/823603627.db2.gz ZGMKWIZOUYJHAP-UHFFFAOYSA-N 1 0 385.511 4.353 20 0 GIADRO CSc1ccc(OC[C@H](O)C[NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)cc1 ZINC000411780547 823604256 /nfs/dbraw/zinc/60/42/56/823604256.db2.gz FNDRROMJUQKTCW-VBQJREDUSA-N 1 0 377.472 4.249 20 0 GIADRO CO[C@@H]1CCC[C@H]1[NH2+]Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1 ZINC000411785612 823604582 /nfs/dbraw/zinc/60/45/82/823604582.db2.gz IKVJEJUHPFQTQT-HUUCEWRRSA-N 1 0 389.908 4.374 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCSCC2)c1)c1cccn1Cc1ccccc1 ZINC000061571686 823604647 /nfs/dbraw/zinc/60/46/47/823604647.db2.gz HOGJOKRNXLYDBG-UHFFFAOYSA-N 1 0 391.540 4.338 20 0 GIADRO C[C@@H]1C[N@H+](C[C@@H]2CCC(C)(C)O2)C2(CCCC2)CN1C[C@H]1CCC(C)(C)O1 ZINC000411788447 823604707 /nfs/dbraw/zinc/60/47/07/823604707.db2.gz LKIBYNSSQVZSSD-AQNXPRMDSA-N 1 0 378.601 4.221 20 0 GIADRO COc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1cc(C[NH+]2CCSCC2)ccc1C ZINC000411788258 823604728 /nfs/dbraw/zinc/60/47/28/823604728.db2.gz GKEMSUWLSUOKDH-VQTJNVASSA-N 1 0 396.556 4.295 20 0 GIADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cccc(NC(=O)C2CCCCC2)c1 ZINC000461256944 823606154 /nfs/dbraw/zinc/60/61/54/823606154.db2.gz KUHQFKPERWOQQX-NRFANRHFSA-N 1 0 385.552 4.152 20 0 GIADRO CN(C(=O)c1cccc2ccccc21)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000124560197 823606491 /nfs/dbraw/zinc/60/64/91/823606491.db2.gz QLOOEULJVZGRQI-RPWUZVMVSA-N 1 0 393.575 4.249 20 0 GIADRO CCNC(=O)c1ccc(C[NH2+]Cc2cc(Br)c(Cl)s2)cc1 ZINC000190767904 823606643 /nfs/dbraw/zinc/60/66/43/823606643.db2.gz WIRCVUDATPTYNB-UHFFFAOYSA-N 1 0 387.730 4.204 20 0 GIADRO CCN(CC)c1ccc(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000061636166 823607039 /nfs/dbraw/zinc/60/70/39/823607039.db2.gz JJIQNVFCQDATKL-UHFFFAOYSA-N 1 0 385.577 4.236 20 0 GIADRO COc1ccc(-c2ccc(C(=O)N(C)CC[C@@H]3CCCC[N@@H+]3C)c(F)c2)cc1 ZINC000461260883 823607236 /nfs/dbraw/zinc/60/72/36/823607236.db2.gz GALCQZZBYXZQGJ-IBGZPJMESA-N 1 0 384.495 4.448 20 0 GIADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000461261309 823607440 /nfs/dbraw/zinc/60/74/40/823607440.db2.gz HYTMKNWJKVRFMY-AWEZNQCLSA-N 1 0 383.414 4.013 20 0 GIADRO CCCCOc1ccc(C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cc1OCC ZINC000461261808 823607595 /nfs/dbraw/zinc/60/75/95/823607595.db2.gz HFMJSVRUQJKTFR-IBGZPJMESA-N 1 0 376.541 4.211 20 0 GIADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1ccccc1OCCOc1ccccc1 ZINC000461262489 823607776 /nfs/dbraw/zinc/60/77/76/823607776.db2.gz JJJIIVXXYVDHEX-HXUWFJFHSA-N 1 0 396.531 4.091 20 0 GIADRO CCOc1ccccc1NC(=O)CC[NH2+][C@@H](c1ccccc1)C1(CO)CCCC1 ZINC000411818672 823608010 /nfs/dbraw/zinc/60/80/10/823608010.db2.gz PMLNEXDXXYJPGM-QHCPKHFHSA-N 1 0 396.531 4.298 20 0 GIADRO CN(C)CC(C)(C)[NH2+]Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1 ZINC000411817877 823608018 /nfs/dbraw/zinc/60/80/18/823608018.db2.gz NSBBAZGGKCWYFV-UHFFFAOYSA-N 1 0 390.940 4.147 20 0 GIADRO C[C@@H]([NH2+]CCC(=O)Nc1cccc(C(F)(F)F)c1)c1nc2c(s1)CCC2 ZINC000411820891 823608339 /nfs/dbraw/zinc/60/83/39/823608339.db2.gz SVIHUBWMCKOGJL-LLVKDONJSA-N 1 0 383.439 4.330 20 0 GIADRO Cc1cc(NCc2ccc(C[NH+]3CCC(O)CC3)cc2)c2cccc(F)c2n1 ZINC000124587148 823608693 /nfs/dbraw/zinc/60/86/93/823608693.db2.gz VMSLVJIQEXXGPW-UHFFFAOYSA-N 1 0 379.479 4.251 20 0 GIADRO O=C(CC[NH2+][C@H](c1cccs1)C1(CO)CCC1)Nc1ccccc1Cl ZINC000411870190 823611489 /nfs/dbraw/zinc/61/14/89/823611489.db2.gz KFHVXUWVBSAPCU-GOSISDBHSA-N 1 0 378.925 4.224 20 0 GIADRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)Nc1cccc(OC(F)F)c1 ZINC000061751170 823611758 /nfs/dbraw/zinc/61/17/58/823611758.db2.gz IQEHHDSYKCMZLW-UHFFFAOYSA-N 1 0 395.475 4.383 20 0 GIADRO Cc1cc(-n2cccn2)ccc1NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000190810319 823611874 /nfs/dbraw/zinc/61/18/74/823611874.db2.gz WYUDFPPDTXVZDZ-UHFFFAOYSA-N 1 0 389.503 4.098 20 0 GIADRO O=C(CC[NH2+][C@H](c1cccs1)C1(CO)CCC1)Nc1ccc(Cl)cc1F ZINC000411877921 823612125 /nfs/dbraw/zinc/61/21/25/823612125.db2.gz QWOKVZNFUVLZKO-GOSISDBHSA-N 1 0 396.915 4.363 20 0 GIADRO Cc1csc(-c2cccc(NC(=O)C3CC[NH+]([C@@H]4CCSC4)CC3)c2)n1 ZINC000411882325 823612508 /nfs/dbraw/zinc/61/25/08/823612508.db2.gz MAPJKLTYIYJDFW-GOSISDBHSA-N 1 0 387.574 4.275 20 0 GIADRO CC1CC[NH+](C2CCC(NC(=O)N[C@@H]3CCCOc4ccccc43)CC2)CC1 ZINC000124633153 823612931 /nfs/dbraw/zinc/61/29/31/823612931.db2.gz KCEJTYFQCHUKFP-GZNCHQMQSA-N 1 0 385.552 4.243 20 0 GIADRO CC(C)[NH+](CCNC(=O)C(=O)Nc1ccccc1Sc1ccccc1)C(C)C ZINC000061782693 823613986 /nfs/dbraw/zinc/61/39/86/823613986.db2.gz APILJFVEMALREB-UHFFFAOYSA-N 1 0 399.560 4.011 20 0 GIADRO CN(C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)[C@@H]1CCc2ccccc21 ZINC000061792519 823614917 /nfs/dbraw/zinc/61/49/17/823614917.db2.gz WJJMQOWLEAWQQO-JOCHJYFZSA-N 1 0 395.572 4.429 20 0 GIADRO O=C(NCCCc1ccccc1)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000061792539 823614920 /nfs/dbraw/zinc/61/49/20/823614920.db2.gz RVWHRZFXNHOSIN-UHFFFAOYSA-N 1 0 383.561 4.032 20 0 GIADRO CO[C@@](C)([C@H](C)[NH2+]CC(=O)N[C@@H](c1cccs1)c1ccc(C)cc1)C1CC1 ZINC000411937054 823615208 /nfs/dbraw/zinc/61/52/08/823615208.db2.gz CMAGZGVTEMRFRR-USCONSEESA-N 1 0 386.561 4.055 20 0 GIADRO COc1ccc(OCc2nc(C[NH2+][C@H](C)[C@@](C)(OC)C3CC3)cs2)cc1 ZINC000411936458 823615223 /nfs/dbraw/zinc/61/52/23/823615223.db2.gz CGPRNEFUEDKPCW-JLTOFOAXSA-N 1 0 376.522 4.024 20 0 GIADRO COc1ccc(-c2nc(C[NH2+][C@H](C)[C@@](C)(OC)C3CC3)cs2)cc1OC ZINC000411939892 823615432 /nfs/dbraw/zinc/61/54/32/823615432.db2.gz FVOOXBHUJGPEMM-ZUOKHONESA-N 1 0 376.522 4.121 20 0 GIADRO C[C@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)[N@@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000411945245 823615691 /nfs/dbraw/zinc/61/56/91/823615691.db2.gz PIVJQLJPGXUJPL-NEPJUHHUSA-N 1 0 382.291 4.120 20 0 GIADRO CC(C)c1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CCN(C)CC2)cc1 ZINC000124668660 823615779 /nfs/dbraw/zinc/61/57/79/823615779.db2.gz BRWKZKRWWSFGJA-XZOQPEGZSA-N 1 0 385.596 4.219 20 0 GIADRO COc1ccc(NC(=O)[C@H]([NH2+][C@H]2CC[C@H](OC)C2)c2ccccc2)cc1Cl ZINC000190847504 823615898 /nfs/dbraw/zinc/61/58/98/823615898.db2.gz MSMGGSDJYPABSU-RIFZZMRRSA-N 1 0 388.895 4.186 20 0 GIADRO Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)NCCC[N@H+]3C[C@H](C)C[C@H](C)C3)nc2c1 ZINC000061863608 823616434 /nfs/dbraw/zinc/61/64/34/823616434.db2.gz PADKXXSQVWARJY-UEXGIBASSA-N 1 0 397.567 4.086 20 0 GIADRO CO[C@@](C)([C@@H](C)[NH2+]CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C1CC1 ZINC000411978000 823617465 /nfs/dbraw/zinc/61/74/65/823617465.db2.gz YLNHMGWNLSNLPN-HWPZZCPQSA-N 1 0 378.822 4.091 20 0 GIADRO CCOc1ccc(C2(C[NH2+]Cc3ccc(Br)o3)CCOCC2)cc1 ZINC000190863999 823617764 /nfs/dbraw/zinc/61/77/64/823617764.db2.gz RCTPHQVIRMHXSS-UHFFFAOYSA-N 1 0 394.309 4.279 20 0 GIADRO CCN(C(=O)[C@H](C)[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1)c1ccccc1 ZINC000411993370 823618860 /nfs/dbraw/zinc/61/88/60/823618860.db2.gz ZBDMVDWCPFFMBQ-UGKGYDQZSA-N 1 0 378.516 4.282 20 0 GIADRO Cc1cccc([C@@H](NC(=O)NCc2ccc(C[NH+](C)C)cc2)c2ccccn2)c1 ZINC000124702886 823618959 /nfs/dbraw/zinc/61/89/59/823618959.db2.gz GOIGGLOKWYILGI-HSZRJFAPSA-N 1 0 388.515 4.040 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(Br)c(F)cc2C)[C@H](C)C1 ZINC000190880270 823619087 /nfs/dbraw/zinc/61/90/87/823619087.db2.gz FTUUAFZSDXGABR-WBMJQRKESA-N 1 0 386.309 4.091 20 0 GIADRO CC(C)OCc1ccccc1CNC(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000061943516 823619206 /nfs/dbraw/zinc/61/92/06/823619206.db2.gz QUUMRISXHKRWEB-QFIPXVFZSA-N 1 0 389.584 4.167 20 0 GIADRO C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000411995361 823619230 /nfs/dbraw/zinc/61/92/30/823619230.db2.gz CRXONRCEKCTIJI-PGRDOPGGSA-N 1 0 396.506 4.026 20 0 GIADRO CCSc1ccc([C@H](C)NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)cc1 ZINC000411996981 823619664 /nfs/dbraw/zinc/61/96/64/823619664.db2.gz FFYZUOWFTRBRGH-YJBOKZPZSA-N 1 0 378.607 4.193 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@H]2CCC[C@H](C(=O)NC(C)C)C2)ccc1OC(F)F ZINC000124713126 823619943 /nfs/dbraw/zinc/61/99/43/823619943.db2.gz ZNZCPWBEVYAQRO-BPUTZDHNSA-N 1 0 384.467 4.031 20 0 GIADRO C[C@H]([NH2+][C@@H](CO)[C@@H]1CCCOC1)c1ncc(-c2ccc(Cl)cc2Cl)o1 ZINC000412000736 823620159 /nfs/dbraw/zinc/62/01/59/823620159.db2.gz ZHPBTILPZLTWFX-OZVIIMIRSA-N 1 0 385.291 4.087 20 0 GIADRO CC(=O)c1ccc(NC(=O)CC[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)cc1 ZINC000412001443 823620459 /nfs/dbraw/zinc/62/04/59/823620459.db2.gz PZHRPMLNJXVNMQ-HSZRJFAPSA-N 1 0 392.499 4.072 20 0 GIADRO CC(=O)c1c(C)cc(C)c(C[NH2+][C@H](c2ccccc2)C2(CO)CCOCC2)c1C ZINC000412003818 823621056 /nfs/dbraw/zinc/62/10/56/823621056.db2.gz ATRKMFKOKGZSQQ-XMMPIXPASA-N 1 0 395.543 4.434 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)c2scc(C)c2Br)c1 ZINC000190900603 823621774 /nfs/dbraw/zinc/62/17/74/823621774.db2.gz WVFHOGFOIREISO-UHFFFAOYSA-N 1 0 381.339 4.201 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)NCC2(c3ccc(F)cc3)CCCC2)c1 ZINC000062009148 823622025 /nfs/dbraw/zinc/62/20/25/823622025.db2.gz VUNYTVHAUBKZTL-UHFFFAOYSA-N 1 0 383.511 4.199 20 0 GIADRO C[C@@H]1CC[C@@H](C[NH2+]C2(c3ccc(OCc4ccccc4)cc3)CCOCC2)O1 ZINC000190905553 823622325 /nfs/dbraw/zinc/62/23/25/823622325.db2.gz MMBBESYJENGPBU-XXBNENTESA-N 1 0 381.516 4.428 20 0 GIADRO CCOc1ccccc1NC(=O)CC[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412014170 823622625 /nfs/dbraw/zinc/62/26/25/823622625.db2.gz PVPRUPHOJOOPFM-QHCPKHFHSA-N 1 0 394.515 4.268 20 0 GIADRO COCCN(C)c1ccc(C[NH2+]C(C)(C)c2ccc(Cl)c(Cl)c2)cn1 ZINC000190907077 823622757 /nfs/dbraw/zinc/62/27/57/823622757.db2.gz WMMSTGCIDGFWCT-UHFFFAOYSA-N 1 0 382.335 4.496 20 0 GIADRO OCC1([C@H]([NH2+]CCOc2cccc3ccccc32)c2ccccc2)CCOCC1 ZINC000412014265 823622929 /nfs/dbraw/zinc/62/29/29/823622929.db2.gz WRQMXGJHXGYMIF-XMMPIXPASA-N 1 0 391.511 4.339 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@@H]2CCCN(CC(C)(C)C)C2=O)cnn1-c1ccc(F)cc1 ZINC000461367539 823623866 /nfs/dbraw/zinc/62/38/66/823623866.db2.gz CKZAQUTZWPOYSP-MGPUTAFESA-N 1 0 386.515 4.008 20 0 GIADRO Cc1c([C@@H](C)[NH2+][C@@H]2CCCN(CC(C)(C)C)C2=O)cnn1-c1ccc(F)cc1 ZINC000461367538 823623885 /nfs/dbraw/zinc/62/38/85/823623885.db2.gz CKZAQUTZWPOYSP-FOIQADDNSA-N 1 0 386.515 4.008 20 0 GIADRO COc1ccc(C[N@H+](C)Cc2ccc(OCc3nccn3C)cc2)cc1Cl ZINC000412049421 823624345 /nfs/dbraw/zinc/62/43/45/823624345.db2.gz YKEXPZYYIXDBRI-UHFFFAOYSA-N 1 0 385.895 4.293 20 0 GIADRO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000412056547 823624466 /nfs/dbraw/zinc/62/44/66/823624466.db2.gz OTNUUXBUSCBYRS-GOSISDBHSA-N 1 0 389.952 4.440 20 0 GIADRO O=C1CCCN1[C@H]1CCC[N@@H+](CCCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000412056341 823624559 /nfs/dbraw/zinc/62/45/59/823624559.db2.gz ODZICHOSZCMOTE-SFHVURJKSA-N 1 0 398.469 4.341 20 0 GIADRO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1(c2cccc(F)c2)CCC1 ZINC000062230633 823625338 /nfs/dbraw/zinc/62/53/38/823625338.db2.gz GSSQJNWPTDXHMX-FQEVSTJZSA-N 1 0 380.507 4.276 20 0 GIADRO COC(=O)[C@@]1(C)CCC[N@@H+]([C@H](C)c2nnc(-c3ccc(Cl)c(Cl)c3)o2)C1 ZINC000412072139 823625721 /nfs/dbraw/zinc/62/57/21/823625721.db2.gz PQNLUYWWSCWWAN-ZMZPIMSZSA-N 1 0 398.290 4.380 20 0 GIADRO Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@H](CCC(=O)OC(C)(C)C)C3)o2)cc1 ZINC000412077031 823626002 /nfs/dbraw/zinc/62/60/02/823626002.db2.gz SPKSBDIUFBHALC-QGZVFWFLSA-N 1 0 385.508 4.379 20 0 GIADRO Cc1ccnc(Oc2ccc(NC(=O)NCCCCC[NH+]3CCCCC3)cc2)n1 ZINC000124786701 823626091 /nfs/dbraw/zinc/62/60/91/823626091.db2.gz WUDQGDXTVDYCMR-UHFFFAOYSA-N 1 0 397.523 4.355 20 0 GIADRO CC(C)(C)OC(=O)CC[C@@H]1CCC[N@H+](Cc2cncn2Cc2ccccc2)C1 ZINC000412084216 823626172 /nfs/dbraw/zinc/62/61/72/823626172.db2.gz YOFBLCDPFSYHCP-FQEVSTJZSA-N 1 0 383.536 4.265 20 0 GIADRO CCCn1c(C(=O)Nc2ccnn2C2CC[NH+](CC)CC2)cc2ccccc21 ZINC000190930771 823626415 /nfs/dbraw/zinc/62/64/15/823626415.db2.gz QNJMLXZGQRRPSJ-UHFFFAOYSA-N 1 0 379.508 4.157 20 0 GIADRO CC(=O)Nc1ccc(C[NH2+]C2CCN(c3nc4ccccc4s3)CC2)cc1 ZINC000062259671 823626925 /nfs/dbraw/zinc/62/69/25/823626925.db2.gz ZQPODKDIBRMBQC-UHFFFAOYSA-N 1 0 380.517 4.013 20 0 GIADRO CCCN(CCC[NH+](C)C)C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000190938972 823627294 /nfs/dbraw/zinc/62/72/94/823627294.db2.gz SQXSERHQUIWXLI-UHFFFAOYSA-N 1 0 393.582 4.026 20 0 GIADRO O=C(N[C@@H](c1ccc(F)cc1)C1CCCC1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412121044 823627834 /nfs/dbraw/zinc/62/78/34/823627834.db2.gz LKJRVTBQTWKKAH-LEWJYISDSA-N 1 0 390.568 4.391 20 0 GIADRO Cc1nn(-c2cccc(F)c2)cc1C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000412130392 823628623 /nfs/dbraw/zinc/62/86/23/823628623.db2.gz VJWNGOCMOOMKJC-PKOBYXMFSA-N 1 0 398.526 4.046 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)CC[N@@H+]1C ZINC000124833976 823629723 /nfs/dbraw/zinc/62/97/23/823629723.db2.gz XABIKINVFLWLKP-HTQZYQBOSA-N 1 0 385.122 4.250 20 0 GIADRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)Nc1ccccc1C(F)(F)F ZINC000062369358 823629943 /nfs/dbraw/zinc/62/99/43/823629943.db2.gz YNCYDBGEMRETSC-UHFFFAOYSA-N 1 0 383.389 4.440 20 0 GIADRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000062373275 823630336 /nfs/dbraw/zinc/63/03/36/823630336.db2.gz WSYGHZDMMCBOFU-UHFFFAOYSA-N 1 0 383.389 4.440 20 0 GIADRO COc1ccccc1C[C@@H](C)N(C)C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412146817 823630391 /nfs/dbraw/zinc/63/03/91/823630391.db2.gz LNMAYINKKACCSJ-LJQANCHMSA-N 1 0 380.532 4.384 20 0 GIADRO CCS(=O)(=O)CCCCC[N@@H+]1CCc2ccccc2[C@@H]1Cc1ccccc1 ZINC000190958841 823630472 /nfs/dbraw/zinc/63/04/72/823630472.db2.gz SDEMNYWPXFLDEW-QHCPKHFHSA-N 1 0 385.573 4.434 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1C[C@H]1c1ccccc1OC ZINC000412165364 823632012 /nfs/dbraw/zinc/63/20/12/823632012.db2.gz VSTJHZILLVMSKH-ACIOBRDBSA-N 1 0 392.543 4.169 20 0 GIADRO CC[NH+]1CCN(c2cccc(NCc3c[nH]nc3-c3c(F)cccc3F)c2)CC1 ZINC000190967667 823632054 /nfs/dbraw/zinc/63/20/54/823632054.db2.gz XSVQSSJRINHYQQ-UHFFFAOYSA-N 1 0 397.473 4.109 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)C[C@H](c2ccc(O)cc2)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000412169093 823632261 /nfs/dbraw/zinc/63/22/61/823632261.db2.gz CCZJMYXGWRQDPO-OUOWLKGYSA-N 1 0 392.543 4.445 20 0 GIADRO CC(C)Oc1ccc([C@@H](CNC(=O)N2CC3(CCC3)[C@@H]2C2CC2)[NH+](C)C)cc1 ZINC000461419187 823632525 /nfs/dbraw/zinc/63/25/25/823632525.db2.gz OFLOHDJQLCBFHB-RTWAWAEBSA-N 1 0 385.552 4.051 20 0 GIADRO O=C(Nc1ccc(CCC(F)(F)F)cc1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412172072 823632591 /nfs/dbraw/zinc/63/25/91/823632591.db2.gz KTSVCYCKWTXHSW-QGZVFWFLSA-N 1 0 386.483 4.338 20 0 GIADRO CC(C)Oc1ccc([C@H](CNC(=O)N2CC3(CCC3)[C@H]2C2CC2)[NH+](C)C)cc1 ZINC000461419185 823632607 /nfs/dbraw/zinc/63/26/07/823632607.db2.gz OFLOHDJQLCBFHB-LEWJYISDSA-N 1 0 385.552 4.051 20 0 GIADRO CCOc1cc(C)ccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000062401263 823632825 /nfs/dbraw/zinc/63/28/25/823632825.db2.gz HIPBEAZGGLBTFG-UHFFFAOYSA-N 1 0 391.462 4.268 20 0 GIADRO CC(C)COc1ccccc1NC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000062402868 823632849 /nfs/dbraw/zinc/63/28/49/823632849.db2.gz MXZYJAQGDSKDFV-UHFFFAOYSA-N 1 0 387.499 4.456 20 0 GIADRO O=C(N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)C1(c2cccc(Cl)c2)CC1 ZINC000461421459 823632964 /nfs/dbraw/zinc/63/29/64/823632964.db2.gz CNXVXJXQXKIESL-UXHICEINSA-N 1 0 394.946 4.352 20 0 GIADRO CC(C)(C)[C@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)c1ccc(F)cc1 ZINC000412179142 823633318 /nfs/dbraw/zinc/63/33/18/823633318.db2.gz XOYIQCQOMSYWCO-RTBURBONSA-N 1 0 378.557 4.247 20 0 GIADRO COc1ccc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1C1CC1 ZINC000461423565 823633415 /nfs/dbraw/zinc/63/34/15/823633415.db2.gz GELMAVZUOISYBC-YADHBBJMSA-N 1 0 390.527 4.167 20 0 GIADRO O=C(N[C@@H](c1cccc(F)c1)C1CCCC1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412181563 823633442 /nfs/dbraw/zinc/63/34/42/823633442.db2.gz IPNOPMYWYJXARF-LEWJYISDSA-N 1 0 390.568 4.391 20 0 GIADRO O=C(C[C@@H]1CCc2ccccc2C1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461423384 823633488 /nfs/dbraw/zinc/63/34/88/823633488.db2.gz ABZQYWYBSXNFIA-NQHRYMMQSA-N 1 0 388.555 4.162 20 0 GIADRO CC(C)[C@@H](CNC(=O)N1CC2(CCOCC2)c2ccccc21)[NH+]1CCC(C)CC1 ZINC000190976830 823633523 /nfs/dbraw/zinc/63/35/23/823633523.db2.gz JVKDVLLESDUXQB-JOCHJYFZSA-N 1 0 399.579 4.021 20 0 GIADRO O=C(CCc1ccc2[nH]ccc2c1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461424428 823633849 /nfs/dbraw/zinc/63/38/49/823633849.db2.gz GJSZYAUPYYGYRD-GOTSBHOMSA-N 1 0 387.527 4.081 20 0 GIADRO CC(C)(C)[C@@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)c1ccc(F)cc1F ZINC000412184823 823633848 /nfs/dbraw/zinc/63/38/48/823633848.db2.gz OUHBJEIBNXMDFD-LPHOPBHVSA-N 1 0 396.547 4.386 20 0 GIADRO O=C(CCc1ccccc1)N1CCC[N@H+](C[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000190981141 823633879 /nfs/dbraw/zinc/63/38/79/823633879.db2.gz ZOYYQMNEWYQPKA-JOCHJYFZSA-N 1 0 384.564 4.035 20 0 GIADRO CCNC(=O)COc1cccc(C[NH2+][C@H](CC)c2cc(Cl)ccc2OC)c1 ZINC000124895303 823634710 /nfs/dbraw/zinc/63/47/10/823634710.db2.gz CDDYMWUNYBUHQC-LJQANCHMSA-N 1 0 390.911 4.104 20 0 GIADRO CS(=O)(=O)CC[NH2+]Cc1ccc(N(c2ccccc2)c2ccccc2)cc1 ZINC000062423193 823634780 /nfs/dbraw/zinc/63/47/80/823634780.db2.gz OWQVGRQWNAFASI-UHFFFAOYSA-N 1 0 380.513 4.291 20 0 GIADRO O=C(CCOc1ccc(Cl)cc1Cl)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000461428572 823634897 /nfs/dbraw/zinc/63/48/97/823634897.db2.gz MDLUWSPCYQFIMA-HNNXBMFYSA-N 1 0 385.335 4.097 20 0 GIADRO CCC(CC)n1ncc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c1C ZINC000461428258 823634911 /nfs/dbraw/zinc/63/49/11/823634911.db2.gz MRIYQDOAEKHKTC-SFTDATJTSA-N 1 0 394.563 4.147 20 0 GIADRO Cn1cc(C[NH2+]CCc2ccccc2Cl)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000062424597 823635044 /nfs/dbraw/zinc/63/50/44/823635044.db2.gz YXRJUDNXNJWZHY-UHFFFAOYSA-N 1 0 397.906 4.234 20 0 GIADRO CCN(C(=O)[C@@H]1C[C@H]1c1cccc(O)c1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000412200483 823635231 /nfs/dbraw/zinc/63/52/31/823635231.db2.gz ZPTZYTVORAIEGI-HQAQVQPGSA-N 1 0 378.516 4.180 20 0 GIADRO Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1CNC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000062427026 823635262 /nfs/dbraw/zinc/63/52/62/823635262.db2.gz RNMHTUFJYOTANO-KRWDZBQOSA-N 1 0 395.378 4.367 20 0 GIADRO CC(C)(C)c1ncsc1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461430405 823635324 /nfs/dbraw/zinc/63/53/24/823635324.db2.gz QDWHUIIMKQBZCY-MSOLQXFVSA-N 1 0 383.561 4.035 20 0 GIADRO CC(C)(C)c1ncsc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461430406 823635358 /nfs/dbraw/zinc/63/53/58/823635358.db2.gz QDWHUIIMKQBZCY-QZTJIDSGSA-N 1 0 383.561 4.035 20 0 GIADRO C[C@H](Oc1ccccc1Cl)C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461431879 823635834 /nfs/dbraw/zinc/63/58/34/823635834.db2.gz UECNJUPDJSUUHK-DFQSSKMNSA-N 1 0 398.934 4.088 20 0 GIADRO CS[C@H](C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)c1ccccc1 ZINC000461433110 823636057 /nfs/dbraw/zinc/63/60/57/823636057.db2.gz PONBQKZGWPXXDQ-FKBYEOEOSA-N 1 0 380.557 4.071 20 0 GIADRO CC1(c2ccccc2)CCC(NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC1 ZINC000412211651 823636128 /nfs/dbraw/zinc/63/61/28/823636128.db2.gz SDOGCLKKSORMNO-WQMHRJNTSA-N 1 0 386.605 4.221 20 0 GIADRO O=C(c1cccc2ccsc21)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461433231 823636323 /nfs/dbraw/zinc/63/63/23/823636323.db2.gz WHDAYLCBVIASKG-UXHICEINSA-N 1 0 376.525 4.495 20 0 GIADRO CCSc1ccc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000461433619 823636454 /nfs/dbraw/zinc/63/64/54/823636454.db2.gz WXDSTGYPOMHVEC-RTWAWAEBSA-N 1 0 380.557 4.393 20 0 GIADRO CCCn1c(C)c(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c2cc(OC)ccc21 ZINC000461436178 823636907 /nfs/dbraw/zinc/63/69/07/823636907.db2.gz ARJCIDQHDMGSGE-IBGZPJMESA-N 1 0 397.563 4.316 20 0 GIADRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1)c1cccc(Cl)c1 ZINC000062474690 823637163 /nfs/dbraw/zinc/63/71/63/823637163.db2.gz AMAOQCROMZEUTC-OAHLLOKOSA-N 1 0 377.891 4.314 20 0 GIADRO O=C(c1ccc(Oc2ccncc2)c(Cl)c1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000461437042 823637161 /nfs/dbraw/zinc/63/71/61/823637161.db2.gz RGYWETMBFNJTSH-KRWDZBQOSA-N 1 0 399.922 4.475 20 0 GIADRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)NCCCOC1CCCCC1 ZINC000062476185 823637324 /nfs/dbraw/zinc/63/73/24/823637324.db2.gz ABBWQKVCIYXVDB-UHFFFAOYSA-N 1 0 395.975 4.153 20 0 GIADRO CSc1ccc([C@@H](C)NC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)cc1 ZINC000062487876 823638423 /nfs/dbraw/zinc/63/84/23/823638423.db2.gz BAJVCJQWXWHEHY-MRXNPFEDSA-N 1 0 389.540 4.382 20 0 GIADRO CCN(CCC[NH+](C)C)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000191016544 823638504 /nfs/dbraw/zinc/63/85/04/823638504.db2.gz STGVLKXDFUTXMH-UHFFFAOYSA-N 1 0 386.462 4.111 20 0 GIADRO O=C(CCc1ccc(Cl)cc1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461443264 823638609 /nfs/dbraw/zinc/63/86/09/823638609.db2.gz NESFGNHMOQMTRG-RTWAWAEBSA-N 1 0 382.935 4.253 20 0 GIADRO C[C@H](CNC(=O)N1CCC(c2cc3ccccc3[nH]2)CC1)[NH+]1CCC(C)CC1 ZINC000062503120 823638932 /nfs/dbraw/zinc/63/89/32/823638932.db2.gz QMAYCZUOHZAYBY-GOSISDBHSA-N 1 0 382.552 4.177 20 0 GIADRO O=C(COc1ccc(Oc2ccccc2)cc1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000461444642 823639068 /nfs/dbraw/zinc/63/90/68/823639068.db2.gz QECNJXYQLHNROL-FQEVSTJZSA-N 1 0 394.515 4.192 20 0 GIADRO CC[C@@H](c1ccncc1)N(C)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000124945734 823639194 /nfs/dbraw/zinc/63/91/94/823639194.db2.gz ZOVYVKCVBHUZEF-XLIONFOSSA-N 1 0 386.565 4.148 20 0 GIADRO Cc1[nH]c2ccc(C(=O)N3C[C@@H]4C[N@@H+](Cc5ccccc5)CC[C@@H]4C3)cc2c1C ZINC000461445490 823639166 /nfs/dbraw/zinc/63/91/66/823639166.db2.gz RXQUAJQGNFRSJL-YADHBBJMSA-N 1 0 387.527 4.379 20 0 GIADRO C[C@H](CC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)c1ccc(F)cc1 ZINC000461446325 823639178 /nfs/dbraw/zinc/63/91/78/823639178.db2.gz UKYMXPFOMDXDDC-COPCDDAFSA-N 1 0 380.507 4.300 20 0 GIADRO Cc1[nH]c2ccc(C(=O)N3C[C@H]4CC[N@H+](Cc5ccccc5)C[C@@H]4C3)cc2c1C ZINC000461445488 823639326 /nfs/dbraw/zinc/63/93/26/823639326.db2.gz RXQUAJQGNFRSJL-FGZHOGPDSA-N 1 0 387.527 4.379 20 0 GIADRO O=C(c1cccc(C[NH+]2CCCCC2)c1)N1CCC(CCCn2ccnc2)CC1 ZINC000412246649 823639432 /nfs/dbraw/zinc/63/94/32/823639432.db2.gz PAQNYYZXFNJWSN-UHFFFAOYSA-N 1 0 394.563 4.202 20 0 GIADRO C[C@H](CC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)c1ccccc1F ZINC000461446568 823639465 /nfs/dbraw/zinc/63/94/65/823639465.db2.gz HHZHLFHPJMASPE-GIVPXCGWSA-N 1 0 380.507 4.300 20 0 GIADRO C[C@H](CC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)c1ccccc1F ZINC000461446570 823639510 /nfs/dbraw/zinc/63/95/10/823639510.db2.gz HHZHLFHPJMASPE-HMXCVIKNSA-N 1 0 380.507 4.300 20 0 GIADRO O=C(c1[nH]c2ccccc2c1Cl)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461448345 823639851 /nfs/dbraw/zinc/63/98/51/823639851.db2.gz UJTOZUGHYRYRKH-QZTJIDSGSA-N 1 0 393.918 4.415 20 0 GIADRO COc1ccc(CN(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)C2CC2)cc1 ZINC000062529205 823640230 /nfs/dbraw/zinc/64/02/30/823640230.db2.gz JITMHPNNNXZIQU-UHFFFAOYSA-N 1 0 399.579 4.414 20 0 GIADRO O=C([C@@H]1C[C@@H]1c1cccc(F)c1F)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461452647 823640720 /nfs/dbraw/zinc/64/07/20/823640720.db2.gz WIUIXLAFDNBKTH-VURPSTOHSA-N 1 0 396.481 4.049 20 0 GIADRO Cc1cc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c(Cl)cc1F ZINC000461453188 823640726 /nfs/dbraw/zinc/64/07/26/823640726.db2.gz XBKYEBIOOBEUMZ-ROUUACIJSA-N 1 0 386.898 4.382 20 0 GIADRO Cc1ccc(CCCC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000461453512 823640933 /nfs/dbraw/zinc/64/09/33/823640933.db2.gz YNUOTARDRKVQQZ-BJKOFHAPSA-N 1 0 376.544 4.298 20 0 GIADRO Cc1cc2[nH]c(C(=O)N3C[C@H]4CC[N@H+](Cc5ccccc5)C[C@@H]4C3)cc2c(C)c1 ZINC000461453444 823640941 /nfs/dbraw/zinc/64/09/41/823640941.db2.gz XTLUMKXZCDAKSD-NHCUHLMSSA-N 1 0 387.527 4.379 20 0 GIADRO Cc1ccc(NC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)cc1NC(=O)CC[NH+](C)C ZINC000412261006 823641043 /nfs/dbraw/zinc/64/10/43/823641043.db2.gz ABUMEVLXYFPPGI-XXBNENTESA-N 1 0 379.504 4.018 20 0 GIADRO O=C(c1scnc1C1CCCC1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461454897 823641060 /nfs/dbraw/zinc/64/10/60/823641060.db2.gz IRDDXNJDPUPONH-WOJBJXKFSA-N 1 0 395.572 4.395 20 0 GIADRO CCc1nnc(C[NH2+]C2(Cc3ccc(Br)cc3)CCCCC2)o1 ZINC000124964482 823641152 /nfs/dbraw/zinc/64/11/52/823641152.db2.gz PZKDFYLSQUTCPW-UHFFFAOYSA-N 1 0 378.314 4.430 20 0 GIADRO O=C(C[C@@H]1CCCc2ccccc21)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461455795 823641270 /nfs/dbraw/zinc/64/12/70/823641270.db2.gz KSXYPLZJLNTOBQ-HJOGWXRNSA-N 1 0 388.555 4.477 20 0 GIADRO O=C(c1cccc(C(F)(F)F)c1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461457677 823641690 /nfs/dbraw/zinc/64/16/90/823641690.db2.gz QRCALZCOVKVHPB-RTBURBONSA-N 1 0 388.433 4.300 20 0 GIADRO Cc1nc2ccccc2cc1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461457773 823641875 /nfs/dbraw/zinc/64/18/75/823641875.db2.gz RFZDNOWYBGYYGS-YADHBBJMSA-N 1 0 385.511 4.137 20 0 GIADRO COc1cc(C[NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)c2ccccc2n1 ZINC000124983189 823642694 /nfs/dbraw/zinc/64/26/94/823642694.db2.gz XFCVTBLGZYRQCK-MRXNPFEDSA-N 1 0 375.472 4.221 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1nnc(-c2ccsc2)s1)CC(C)C ZINC000062641029 823642986 /nfs/dbraw/zinc/64/29/86/823642986.db2.gz LPAILUVHWXQUII-CQSZACIVSA-N 1 0 381.571 4.145 20 0 GIADRO C[N@@H+]1CCC[C@H](NC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)C1 ZINC000062647334 823643346 /nfs/dbraw/zinc/64/33/46/823643346.db2.gz MBGUEYWYKJOGRX-LPHOPBHVSA-N 1 0 392.330 4.476 20 0 GIADRO O=C(CCCc1ccc(O)c(F)c1)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000461468658 823643320 /nfs/dbraw/zinc/64/33/20/823643320.db2.gz NNHMNIDTPBQQPG-OAQYLSRUSA-N 1 0 398.522 4.273 20 0 GIADRO CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1cccc(COCc2ccc(OC)cc2)c1 ZINC000124992370 823643338 /nfs/dbraw/zinc/64/33/38/823643338.db2.gz BCUYWIJFMSBOJX-JOCHJYFZSA-N 1 0 382.504 4.225 20 0 GIADRO Cc1cc(C(F)(F)F)ccc1C[NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000191058185 823643452 /nfs/dbraw/zinc/64/34/52/823643452.db2.gz GCXLJVBKSJRGEO-QGZVFWFLSA-N 1 0 376.422 4.152 20 0 GIADRO CCc1ccc(-c2nnc(N3CCC[N@@H+](CC)CC3)n2Cc2cccs2)cc1 ZINC000461473147 823643904 /nfs/dbraw/zinc/64/39/04/823643904.db2.gz FPRYQTYQXFINHQ-UHFFFAOYSA-N 1 0 395.576 4.149 20 0 GIADRO Cc1ccc([C@H](C[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)N2CCCC2)cc1 ZINC000125005794 823644309 /nfs/dbraw/zinc/64/43/09/823644309.db2.gz CRLIIHXUSYJMTH-CVDCTZTESA-N 1 0 393.531 4.439 20 0 GIADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1nnc(CC2CCCC2)n1Cc1cccs1 ZINC000461476749 823644510 /nfs/dbraw/zinc/64/45/10/823644510.db2.gz CAJABHWOZXNFLX-IEBWSBKVSA-N 1 0 399.608 4.184 20 0 GIADRO Clc1cccc(-c2noc(CC[NH2+]Cc3ccc(Br)o3)n2)c1 ZINC000191069817 823644710 /nfs/dbraw/zinc/64/47/10/823644710.db2.gz ROIMJOYWVDILQH-UHFFFAOYSA-N 1 0 382.645 4.078 20 0 GIADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1nnc(CC(C)(C)C)n1Cc1cccs1 ZINC000461479969 823645172 /nfs/dbraw/zinc/64/51/72/823645172.db2.gz CXWPVPZPRMNVHE-IAGOWNOFSA-N 1 0 387.597 4.040 20 0 GIADRO FC(F)(F)c1cccc(CCCC[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c1 ZINC000191075468 823645678 /nfs/dbraw/zinc/64/56/78/823645678.db2.gz LWJOGTNUCMLFLL-KRWDZBQOSA-N 1 0 392.469 4.445 20 0 GIADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H](C)c1cccc(O)c1 ZINC000125020559 823645692 /nfs/dbraw/zinc/64/56/92/823645692.db2.gz WOYRROAXWAFEQG-ZDUSSCGKSA-N 1 0 386.293 4.500 20 0 GIADRO Cn1nccc1NC(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000125024012 823645967 /nfs/dbraw/zinc/64/59/67/823645967.db2.gz WRUMCUGESMMDFQ-UHFFFAOYSA-N 1 0 389.503 4.005 20 0 GIADRO CCOc1ccccc1C1=CCN(C(=O)NC2CCC(C[NH+](C)C)CC2)CC1 ZINC000125026319 823646141 /nfs/dbraw/zinc/64/61/41/823646141.db2.gz MYEYEXGMETUIOQ-UHFFFAOYSA-N 1 0 385.552 4.004 20 0 GIADRO CC(C)Sc1cccc(Cl)c1C[NH+]1CCC(N2CCCNC2=O)CC1 ZINC000191085689 823646792 /nfs/dbraw/zinc/64/67/92/823646792.db2.gz PQZAVJSFUKYSMB-UHFFFAOYSA-N 1 0 381.973 4.220 20 0 GIADRO Cc1ccc(-c2nnc(N3C[C@@H]4CCC[N@H+]4C[C@H]3C)n2Cc2cccs2)s1 ZINC000461488940 823647142 /nfs/dbraw/zinc/64/71/42/823647142.db2.gz IQXDQVARHVTJLB-ZBFHGGJFSA-N 1 0 399.589 4.098 20 0 GIADRO CCc1ccc([C@@H]2CCCN(C(=O)C3CC[NH+]([C@H]4CCSC4)CC3)C2)cc1 ZINC000412330966 823647246 /nfs/dbraw/zinc/64/72/46/823647246.db2.gz DCWBKUZNBIQDJS-YADHBBJMSA-N 1 0 386.605 4.173 20 0 GIADRO CCC[N@H+](C)[C@H](CNC(=O)Cc1cnccc1Cl)c1ccc(Cl)cc1 ZINC000412337705 823648090 /nfs/dbraw/zinc/64/80/90/823648090.db2.gz QUKXKIXGIPYXSG-GOSISDBHSA-N 1 0 380.319 4.130 20 0 GIADRO CC(C)c1nnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1Cc1cccs1 ZINC000461495834 823648585 /nfs/dbraw/zinc/64/85/85/823648585.db2.gz GXARDCRVTZTDMV-LJQANCHMSA-N 1 0 395.576 4.222 20 0 GIADRO CC[C@H](C(=O)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F)[NH+](CC)CC ZINC000461496700 823648655 /nfs/dbraw/zinc/64/86/55/823648655.db2.gz IEQNADVLCHRBMW-OCCSQVGLSA-N 1 0 382.373 4.128 20 0 GIADRO COc1cccc(O[C@@H](C)C[NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)c1 ZINC000125062162 823649238 /nfs/dbraw/zinc/64/92/38/823649238.db2.gz HRDYNCKDDUEVLQ-HOTGVXAUSA-N 1 0 383.492 4.097 20 0 GIADRO Cc1ccc(NC(=O)[C@@H](C)Nc2cccc(N3CC[NH+](C(C)C)CC3)c2)c(F)c1 ZINC000125072569 823649986 /nfs/dbraw/zinc/64/99/86/823649986.db2.gz FWCYUHMXOPJVQD-GOSISDBHSA-N 1 0 398.526 4.104 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H](C)COc1ccc(C)cc1 ZINC000063071115 823650069 /nfs/dbraw/zinc/65/00/69/823650069.db2.gz WKRMDIMGHKFKKW-LJQANCHMSA-N 1 0 383.536 4.104 20 0 GIADRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)C1=Cc2cc(Cl)ccc2OC1 ZINC000063080746 823650560 /nfs/dbraw/zinc/65/05/60/823650560.db2.gz CCDPTAQEAGIBKX-UHFFFAOYSA-N 1 0 396.918 4.144 20 0 GIADRO CCOc1ccc2cc(C(=O)NCC3CC[NH+](Cc4ccccc4)CC3)[nH]c2c1 ZINC000063081624 823650704 /nfs/dbraw/zinc/65/07/04/823650704.db2.gz SORXYCFNBJCPCT-UHFFFAOYSA-N 1 0 391.515 4.209 20 0 GIADRO C[C@@H](SCc1ccccc1)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000063081548 823650708 /nfs/dbraw/zinc/65/07/08/823650708.db2.gz UMQPFOQCPYCTTD-LJQANCHMSA-N 1 0 382.573 4.337 20 0 GIADRO O=C(CCC(=O)c1ccc(Cl)cc1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000063081409 823650716 /nfs/dbraw/zinc/65/07/16/823650716.db2.gz LUZUNNXYPIFLPM-UHFFFAOYSA-N 1 0 398.934 4.331 20 0 GIADRO Cc1ncc(Br)cc1NC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412378855 823650900 /nfs/dbraw/zinc/65/09/00/823650900.db2.gz NBXUYZBIEXSIBU-UHFFFAOYSA-N 1 0 388.309 4.391 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)c3ccccc3NCc3cccnc3)ccc21 ZINC000412383905 823651257 /nfs/dbraw/zinc/65/12/57/823651257.db2.gz ZEKUMDFRQBGXOB-HSZRJFAPSA-N 1 0 386.499 4.495 20 0 GIADRO CCC[NH+]1CCC(NC(=O)c2cccc(-n3nccc3-c3ccccc3)c2)CC1 ZINC000063090887 823651323 /nfs/dbraw/zinc/65/13/23/823651323.db2.gz OMVFSFIHKOSRBS-UHFFFAOYSA-N 1 0 388.515 4.144 20 0 GIADRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC([C@H]3CCCO3)CC2)c1 ZINC000191121206 823651440 /nfs/dbraw/zinc/65/14/40/823651440.db2.gz JUIDAIHLYMSUAT-XMMPIXPASA-N 1 0 392.543 4.350 20 0 GIADRO O=C(CCCCC(=O)c1ccccc1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000063112385 823651820 /nfs/dbraw/zinc/65/18/20/823651820.db2.gz OTJNMSJEMGNSKK-UHFFFAOYSA-N 1 0 392.543 4.458 20 0 GIADRO C[C@@H]1c2ccsc2CCN1C(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000063145520 823652692 /nfs/dbraw/zinc/65/26/92/823652692.db2.gz CILKCMZGSJGXTJ-MRXNPFEDSA-N 1 0 385.602 4.206 20 0 GIADRO CCOc1cc(F)ccc1NC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000063149618 823653144 /nfs/dbraw/zinc/65/31/44/823653144.db2.gz DOTCVJARXAZGEE-UHFFFAOYSA-N 1 0 387.524 4.175 20 0 GIADRO CCCOc1ccc(CNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000063149500 823653196 /nfs/dbraw/zinc/65/31/96/823653196.db2.gz NHXCZNPCAHVHAC-UHFFFAOYSA-N 1 0 397.588 4.104 20 0 GIADRO CCN(Cc1ccc(OC)cc1)C(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000063149668 823653212 /nfs/dbraw/zinc/65/32/12/823653212.db2.gz RRPGTAINLAAYME-UHFFFAOYSA-N 1 0 397.588 4.056 20 0 GIADRO C[NH+](C)CCCCCCCNC(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000125125946 823653436 /nfs/dbraw/zinc/65/34/36/823653436.db2.gz HHMKOKNOXNLPKL-SFHVURJKSA-N 1 0 386.540 4.229 20 0 GIADRO CSC1(CNC(=O)N[C@H](C)c2ccc(F)c3ccccc32)CC[NH+](C)CC1 ZINC000461523261 823653571 /nfs/dbraw/zinc/65/35/71/823653571.db2.gz UIDBDSLAQZUBLN-OAHLLOKOSA-N 1 0 389.540 4.167 20 0 GIADRO CC(C)[C@H](CNC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)Cc1ccccc1 ZINC000191152091 823653996 /nfs/dbraw/zinc/65/39/96/823653996.db2.gz JHKRHMKNCYALSD-NRFANRHFSA-N 1 0 397.563 4.400 20 0 GIADRO C[C@@H]1CC(O)C[C@@H](C)[NH+]1Cc1csc(-c2ccc(Br)cc2)n1 ZINC000191160199 823654925 /nfs/dbraw/zinc/65/49/25/823654925.db2.gz FTTZWFMCENSWHV-VXGBXAGGSA-N 1 0 381.339 4.306 20 0 GIADRO CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nc2ccccc2n1C(F)F ZINC000191179273 823656670 /nfs/dbraw/zinc/65/66/70/823656670.db2.gz QVKOLHWYLOJTOB-ZIAGYGMSSA-N 1 0 394.466 4.357 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1csc(Cl)c1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000191184863 823657296 /nfs/dbraw/zinc/65/72/96/823657296.db2.gz XEFPYMADZDTMSI-OLZOCXBDSA-N 1 0 378.925 4.471 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)/C=C(/C)c3ccccc3)CC2)cc1 ZINC000063262491 823657881 /nfs/dbraw/zinc/65/78/81/823657881.db2.gz GYECMDLQEKYBGK-MNDPQUGUSA-N 1 0 378.516 4.127 20 0 GIADRO CCCOc1cccc(C(=O)NCC2CC[NH+](Cc3ccc(OC)cc3)CC2)c1 ZINC000063262691 823657981 /nfs/dbraw/zinc/65/79/81/823657981.db2.gz UKTNPHJYYZZEJK-UHFFFAOYSA-N 1 0 396.531 4.126 20 0 GIADRO C[C@H](Oc1ccc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1)c1ccccc1 ZINC000191201342 823658772 /nfs/dbraw/zinc/65/87/72/823658772.db2.gz FSOOQIHZVUWZEY-HARLFGEKSA-N 1 0 378.516 4.383 20 0 GIADRO Cc1c([C@H](C)[NH2+]CC2(c3ccc4c(c3)OCO4)CCOCC2)cnn1C(C)(C)C ZINC000191211017 823659621 /nfs/dbraw/zinc/65/96/21/823659621.db2.gz PFQWHJIZAIMGPA-INIZCTEOSA-N 1 0 399.535 4.074 20 0 GIADRO CC1CC[NH+](Cc2ccc(NC(=O)[C@@H]3CCCN(C(=O)C(C)(C)C)C3)cc2)CC1 ZINC000063293518 823660450 /nfs/dbraw/zinc/66/04/50/823660450.db2.gz NMSLLPKDXWVVMO-HXUWFJFHSA-N 1 0 399.579 4.142 20 0 GIADRO COc1ccc(C[N@H+](C)Cc2ccc(N(C)C(C)C)nc2)cc1OC(F)F ZINC000191225514 823660856 /nfs/dbraw/zinc/66/08/56/823660856.db2.gz FDJJZVRVMQNKSV-UHFFFAOYSA-N 1 0 379.451 4.168 20 0 GIADRO COC(=O)[C@@H](C)c1cccc(NC(=O)c2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000412544236 823660912 /nfs/dbraw/zinc/66/09/12/823660912.db2.gz GPGZERVPPOVTKH-KRWDZBQOSA-N 1 0 380.488 4.201 20 0 GIADRO O=C(NCCc1cccs1)C1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000063302012 823661302 /nfs/dbraw/zinc/66/13/02/823661302.db2.gz IUSVLXRLPXYAKW-UHFFFAOYSA-N 1 0 396.478 4.338 20 0 GIADRO CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000412561459 823662590 /nfs/dbraw/zinc/66/25/90/823662590.db2.gz UGXVPIFZJNWFAF-CQSZACIVSA-N 1 0 383.471 4.164 20 0 GIADRO CCOc1cccc([C@@H](C)NC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000063323088 823662678 /nfs/dbraw/zinc/66/26/78/823662678.db2.gz QAMVLSCXPMPQSC-NQIIRXRSSA-N 1 0 381.520 4.110 20 0 GIADRO CCCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000412563053 823662747 /nfs/dbraw/zinc/66/27/47/823662747.db2.gz YHLIZRZJMQBXNC-UHFFFAOYSA-N 1 0 396.466 4.114 20 0 GIADRO O=C(CC[N@@H+](CCC(F)(F)F)Cc1ccccc1)N1CCc2sccc2C1 ZINC000191245486 823662996 /nfs/dbraw/zinc/66/29/96/823662996.db2.gz UBGSDYZRDFTCRO-UHFFFAOYSA-N 1 0 396.478 4.478 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)Nc2cc(-n3cccn3)ccc2C)CC1 ZINC000191248136 823663220 /nfs/dbraw/zinc/66/32/20/823663220.db2.gz JMGRJJUAXLEXFZ-UHFFFAOYSA-N 1 0 383.540 4.157 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)[C@@H](C)Cc1ccccc1Cl ZINC000412574747 823663734 /nfs/dbraw/zinc/66/37/34/823663734.db2.gz OLTVJXUZLQAFQB-HNNXBMFYSA-N 1 0 390.911 4.106 20 0 GIADRO COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@@H](C)c2cnn(C(C)C)c2C)C1 ZINC000191255872 823664022 /nfs/dbraw/zinc/66/40/22/823664022.db2.gz NMRABKKXRUETNO-YOEHRIQHSA-N 1 0 376.932 4.364 20 0 GIADRO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1c[nH]nc1-c1ccc(Cl)cc1 ZINC000063341625 823664611 /nfs/dbraw/zinc/66/46/11/823664611.db2.gz ZVHPBJNBTCZYLN-UHFFFAOYSA-N 1 0 386.927 4.115 20 0 GIADRO Cc1ccc(NC(=S)NN=C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000063357833 823665392 /nfs/dbraw/zinc/66/53/92/823665392.db2.gz OPACGMMLFTVHFW-UHFFFAOYSA-N 1 0 391.544 4.114 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)Nc3ccc(F)cc3C)CC2)cc1 ZINC000063389323 823666553 /nfs/dbraw/zinc/66/65/53/823666553.db2.gz HQVLECDFBMGCAP-UHFFFAOYSA-N 1 0 385.483 4.176 20 0 GIADRO CCCN(CCC[NH+](C)C)C(=O)Nc1cc(NC(=O)c2ccccc2)ccc1C ZINC000191279932 823666749 /nfs/dbraw/zinc/66/67/49/823666749.db2.gz FTQMTZBUCVNNJW-UHFFFAOYSA-N 1 0 396.535 4.443 20 0 GIADRO COc1cc(Cl)c(Cl)cc1NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000191284145 823667292 /nfs/dbraw/zinc/66/72/92/823667292.db2.gz FKPSGKWIJUWGNJ-SJCJKPOMSA-N 1 0 398.334 4.483 20 0 GIADRO CSc1nnc(CCC[NH2+][C@@H](C)c2cnn(C(C)(C)C)c2C)n1CC(C)C ZINC000191287031 823667649 /nfs/dbraw/zinc/66/76/49/823667649.db2.gz UMLRRCLOGOFWLZ-HNNXBMFYSA-N 1 0 392.617 4.199 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@H]2CCN(c3ccccc3OC(F)F)C2)cnn1C(C)(C)C ZINC000191294174 823668504 /nfs/dbraw/zinc/66/85/04/823668504.db2.gz XWOWYVPKZCPARL-HOCLYGCPSA-N 1 0 392.494 4.477 20 0 GIADRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)cn1 ZINC000191299568 823668942 /nfs/dbraw/zinc/66/89/42/823668942.db2.gz WJPGLJPGRBYWIG-SFHVURJKSA-N 1 0 395.482 4.106 20 0 GIADRO Cc1c([C@@H](C)NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)cnn1C(C)C ZINC000191300525 823668955 /nfs/dbraw/zinc/66/89/55/823668955.db2.gz GAKMQIJAEXEMAU-RTBURBONSA-N 1 0 384.568 4.323 20 0 GIADRO FC(F)c1ccc(C[N@@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)cc1 ZINC000191305680 823669330 /nfs/dbraw/zinc/66/93/30/823669330.db2.gz DPPAVDSELPPNSA-UHFFFAOYSA-N 1 0 392.397 4.207 20 0 GIADRO Cc1ncc([C@H](C)[NH2+]C2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c(C)n1 ZINC000125353439 823670149 /nfs/dbraw/zinc/67/01/49/823670149.db2.gz RHNKUVKWRJRPRP-HNNXBMFYSA-N 1 0 392.469 4.427 20 0 GIADRO COc1ccc([C@@H](O)C[NH2+][C@H](C)c2cnn(-c3cccc(Cl)c3)c2C)cc1 ZINC000125359188 823670332 /nfs/dbraw/zinc/67/03/32/823670332.db2.gz WUJZFOWEAAPIHW-SZNDQCEHSA-N 1 0 385.895 4.227 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CSCC(=O)OC(C)(C)C)cc1 ZINC000125371224 823671336 /nfs/dbraw/zinc/67/13/36/823671336.db2.gz ZHTBHYVMJDCBTC-INIZCTEOSA-N 1 0 392.565 4.074 20 0 GIADRO CCCN(CCC[NH+](C)C)C(=O)Nc1ccc(NC(=O)c2ccco2)c(C)c1 ZINC000191322493 823671695 /nfs/dbraw/zinc/67/16/95/823671695.db2.gz DABSVPVUKFDJTI-UHFFFAOYSA-N 1 0 386.496 4.036 20 0 GIADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1 ZINC000461621040 823671959 /nfs/dbraw/zinc/67/19/59/823671959.db2.gz RNLCFZHIOKJELT-GOSISDBHSA-N 1 0 381.520 4.098 20 0 GIADRO Cc1ccc(NC(=O)COc2ccc(OCC[NH+]3CCCCC3)cc2)c(C)c1 ZINC000063457448 823672532 /nfs/dbraw/zinc/67/25/32/823672532.db2.gz OCFWMSKFMHKDPW-UHFFFAOYSA-N 1 0 382.504 4.186 20 0 GIADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1ccc(C)c(NC(=O)Nc2ccccc2)c1 ZINC000461631514 823673089 /nfs/dbraw/zinc/67/30/89/823673089.db2.gz PFGBSYPYMFPDHM-GOSISDBHSA-N 1 0 396.535 4.489 20 0 GIADRO CN(CCCc1ccccc1)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000063464361 823673248 /nfs/dbraw/zinc/67/32/48/823673248.db2.gz LVYSVSZYHAOYPY-QHCPKHFHSA-N 1 0 379.548 4.173 20 0 GIADRO CN(Cc1ccccc1Cl)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000063464659 823673425 /nfs/dbraw/zinc/67/34/25/823673425.db2.gz JXKPDRCGTKRAGZ-LJQANCHMSA-N 1 0 385.939 4.394 20 0 GIADRO COc1ccc(C)cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000125401951 823673546 /nfs/dbraw/zinc/67/35/46/823673546.db2.gz AGYMVJABBOZEJH-KBPBESRZSA-N 1 0 378.419 4.283 20 0 GIADRO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000412679797 823674105 /nfs/dbraw/zinc/67/41/05/823674105.db2.gz RWSNGYUGEQRTJL-RTWAWAEBSA-N 1 0 384.589 4.000 20 0 GIADRO Cc1ccc(N2CCC[C@@H]([NH2+][C@@H](C)CC(=O)Nc3cccnc3Cl)C2)cc1 ZINC000125425003 823675222 /nfs/dbraw/zinc/67/52/22/823675222.db2.gz CQCNVWNRYYBEMW-DLBZAZTESA-N 1 0 386.927 4.019 20 0 GIADRO O=C([C@H]1CC[N@@H+](C2CCCCC2)C1)N1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412703672 823676394 /nfs/dbraw/zinc/67/63/94/823676394.db2.gz AOWORSOFUIMGOE-UNMCSNQZSA-N 1 0 382.548 4.021 20 0 GIADRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1cccc(Cl)c1 ZINC000063505103 823676714 /nfs/dbraw/zinc/67/67/14/823676714.db2.gz BWOSCACTFVZMJU-UHFFFAOYSA-N 1 0 375.856 4.407 20 0 GIADRO CC(C)(C)c1ncc(C[NH2+]C[C@@H](c2ccccc2Cl)N2CCOCC2)s1 ZINC000063510581 823677044 /nfs/dbraw/zinc/67/70/44/823677044.db2.gz CNGZOWSNYWRAPF-SFHVURJKSA-N 1 0 393.984 4.257 20 0 GIADRO Cc1cccc(C)c1OC[C@H](O)C[NH2+]Cc1cn(-c2ccccc2)nc1C(C)C ZINC000063525469 823677604 /nfs/dbraw/zinc/67/76/04/823677604.db2.gz VKOAZDBFPMGQGI-JOCHJYFZSA-N 1 0 393.531 4.142 20 0 GIADRO Cc1cc(Br)cc(C(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)c1 ZINC000125460711 823677911 /nfs/dbraw/zinc/67/79/11/823677911.db2.gz GUHWVCPPZWUHQD-UHFFFAOYSA-N 1 0 391.309 4.087 20 0 GIADRO CCC[N@H+](CC)Cc1ccc(C(=O)Nc2cccc([C@H]3CCC(=O)N3)c2)cc1 ZINC000412724624 823677940 /nfs/dbraw/zinc/67/79/40/823677940.db2.gz GCLNDDPRTRDGIA-OAQYLSRUSA-N 1 0 379.504 4.122 20 0 GIADRO CCO[C@H]1C[C@H](O)C12CCN(c1cc[nH+]c3cc(C(F)(F)F)ccc31)CC2 ZINC000125465171 823678387 /nfs/dbraw/zinc/67/83/87/823678387.db2.gz RGKHGFHYABNNOE-ROUUACIJSA-N 1 0 380.410 4.010 20 0 GIADRO CC(C)NS(=O)(=O)Cc1ccc(C[NH2+]Cc2csc3ccccc23)cc1 ZINC000063549806 823678838 /nfs/dbraw/zinc/67/88/38/823678838.db2.gz XDOSZPHPLKULGX-UHFFFAOYSA-N 1 0 388.558 4.019 20 0 GIADRO Cc1c([C@@H](C)[NH2+]C[C@@H](CO)Cc2ccc(OC(F)(F)F)cc2)cnn1C(C)C ZINC000191383151 823678959 /nfs/dbraw/zinc/67/89/59/823678959.db2.gz GFRAOJNLPHUEJA-PBHICJAKSA-N 1 0 399.457 4.173 20 0 GIADRO CCCN(CCC[NH+](C)C)C(=O)Nc1cccc(OCC(F)(F)F)c1C ZINC000191390781 823679500 /nfs/dbraw/zinc/67/95/00/823679500.db2.gz VTKBLQVJEVQXNG-UHFFFAOYSA-N 1 0 375.435 4.132 20 0 GIADRO CCC[N@H+](CCC(=O)Nc1ccc(N2CCOCC2)cc1)CC1CCCCC1 ZINC000063558975 823679258 /nfs/dbraw/zinc/67/92/58/823679258.db2.gz WOXQLDSAMMCQMQ-UHFFFAOYSA-N 1 0 387.568 4.144 20 0 GIADRO COc1c(C)cc(C[NH2+]C[C@@H](O)COc2cccc(Cl)c2Cl)cc1C ZINC000063565820 823679761 /nfs/dbraw/zinc/67/97/61/823679761.db2.gz HSKQQPVCVDUWMN-OAHLLOKOSA-N 1 0 384.303 4.148 20 0 GIADRO CC[C@@H](C(=O)N1CC2(CCOCC2)[C@H]1c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000412751248 823680738 /nfs/dbraw/zinc/68/07/38/823680738.db2.gz ZAUXHROINIRPHB-XZOQPEGZSA-N 1 0 392.543 4.277 20 0 GIADRO CC[N@H+](CCC1CCN(C(=O)N[C@@H]2c3ccccc3O[C@H]2C)CC1)CC1CC1 ZINC000461687976 823681592 /nfs/dbraw/zinc/68/15/92/823681592.db2.gz XCBGFIFMOVHLGD-JTSKRJEESA-N 1 0 385.552 4.052 20 0 GIADRO CCOc1ccc(-c2nc(C)c(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)s2)cc1 ZINC000461698757 823683269 /nfs/dbraw/zinc/68/32/69/823683269.db2.gz ZYSVAXOZDFXRLM-HNNXBMFYSA-N 1 0 389.565 4.223 20 0 GIADRO CCN(CCC[NH+](C)C)C(=O)Nc1c(C)c(C(C)(C)C)nn1-c1ccccc1 ZINC000191422956 823683726 /nfs/dbraw/zinc/68/37/26/823683726.db2.gz AEZFENRNNPDQJY-UHFFFAOYSA-N 1 0 385.556 4.284 20 0 GIADRO COc1ccc(C2(C[NH2+][C@H](C)C(=O)NCc3cccs3)CCCCC2)cc1 ZINC000063631671 823685155 /nfs/dbraw/zinc/68/51/55/823685155.db2.gz ITBZPICJDPVPDF-QGZVFWFLSA-N 1 0 386.561 4.253 20 0 GIADRO COC(=O)[C@@H](C)c1ccc(NC(=O)c2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000412818817 823685346 /nfs/dbraw/zinc/68/53/46/823685346.db2.gz VGEGYWVXJBEJLK-KRWDZBQOSA-N 1 0 380.488 4.201 20 0 GIADRO O=C([C@H]1CCC[N@@H+]1Cc1ccccc1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000063637300 823685603 /nfs/dbraw/zinc/68/56/03/823685603.db2.gz LGDWIBFZKYACIL-XMMPIXPASA-N 1 0 385.511 4.448 20 0 GIADRO CCN(C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1)[C@H](C)c1cccc(OC)c1 ZINC000461714259 823686289 /nfs/dbraw/zinc/68/62/89/823686289.db2.gz HWUSMZATRDQDBU-RTBURBONSA-N 1 0 383.536 4.308 20 0 GIADRO CCCN(CC[NH+](CC)CC)C(=O)c1cc(C2CC2)nc2onc(C(C)C)c21 ZINC000461725983 823687990 /nfs/dbraw/zinc/68/79/90/823687990.db2.gz MCRKDAIMQJYOTP-UHFFFAOYSA-N 1 0 386.540 4.418 20 0 GIADRO CCOc1ccccc1NC(=O)[C@@H]([NH2+][C@@H](C)C1CCOCC1)c1ccccc1 ZINC000125593248 823688241 /nfs/dbraw/zinc/68/82/41/823688241.db2.gz HMSWWHBKZLAMMS-JTSKRJEESA-N 1 0 382.504 4.170 20 0 GIADRO CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1)C(=S)NCC[NH+](C)C ZINC000063674664 823688400 /nfs/dbraw/zinc/68/84/00/823688400.db2.gz IOZGHZGKHAWUKK-UHFFFAOYSA-N 1 0 399.482 4.223 20 0 GIADRO CCCn1ccnc1CCC[N@H+](C)[C@H](C)C(=O)Nc1cc(Cl)ccc1C ZINC000191479291 823689349 /nfs/dbraw/zinc/68/93/49/823689349.db2.gz CMBIQXCSPAOGAA-MRXNPFEDSA-N 1 0 376.932 4.147 20 0 GIADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)Sc2ccc(Br)cc2)C1 ZINC000063692881 823689799 /nfs/dbraw/zinc/68/97/99/823689799.db2.gz IBAJRYQDLVVEKY-LSDHHAIUSA-N 1 0 399.398 4.166 20 0 GIADRO CCOc1ccc(NC(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)c(F)c1 ZINC000412898107 823690057 /nfs/dbraw/zinc/69/00/57/823690057.db2.gz LXYDKYLWIWIMEL-CHWSQXEVSA-N 1 0 376.394 4.072 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@H]2CCCN(c3cccc(F)c3)C2)cc(OC)c1OC ZINC000125614175 823690069 /nfs/dbraw/zinc/69/00/69/823690069.db2.gz YLLUXOLPHRGHMH-QAPCUYQASA-N 1 0 388.483 4.171 20 0 GIADRO O[C@H](C[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1)c1ccccc1 ZINC000191486518 823690200 /nfs/dbraw/zinc/69/02/00/823690200.db2.gz IVFCRWSEZHEYTM-WOJBJXKFSA-N 1 0 390.321 4.240 20 0 GIADRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+]C[C@]1(CCO)CCOC1 ZINC000125618015 823690405 /nfs/dbraw/zinc/69/04/05/823690405.db2.gz GGGIYAZFQYLEGL-DJJJIMSYSA-N 1 0 380.941 4.212 20 0 GIADRO Cc1ccc(-n2ncc(C(=O)N3CCC[N@@H+](C(C)(C)C)CC3)c2C(C)C)cc1 ZINC000063722863 823691538 /nfs/dbraw/zinc/69/15/38/823691538.db2.gz SIOZPIMNVHSJGJ-UHFFFAOYSA-N 1 0 382.552 4.251 20 0 GIADRO C[C@H](c1ccccc1C(F)(F)F)[C@H](C)NC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000125630795 823691575 /nfs/dbraw/zinc/69/15/75/823691575.db2.gz ABJWCJGDIHNKSX-KBPBESRZSA-N 1 0 383.458 4.123 20 0 GIADRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(-n3nc(C)cc3C)nc1)CCS2 ZINC000191497436 823691617 /nfs/dbraw/zinc/69/16/17/823691617.db2.gz CXTJQUSSCMSBFK-IBGZPJMESA-N 1 0 380.517 4.219 20 0 GIADRO Cc1cccc(C(=O)Nc2ccccc2C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)c1 ZINC000063724783 823692000 /nfs/dbraw/zinc/69/20/00/823692000.db2.gz DEQOAPWGSNMAFP-UHFFFAOYSA-N 1 0 393.531 4.194 20 0 GIADRO CCOC(=O)N1CCC([NH2+][C@H](C)c2cnn(-c3cccc(Cl)c3)c2C)CC1 ZINC000125645010 823692950 /nfs/dbraw/zinc/69/29/50/823692950.db2.gz CLAKJJRKVARPCL-CQSZACIVSA-N 1 0 390.915 4.106 20 0 GIADRO C[N@H+](CCC(=O)Nc1cccc(F)c1)Cc1cc(Br)ccc1F ZINC000063742188 823693075 /nfs/dbraw/zinc/69/30/75/823693075.db2.gz SVUREYPPGUBNBI-UHFFFAOYSA-N 1 0 383.236 4.188 20 0 GIADRO CN1CC[C@@H](C[NH2+]Cc2nccn2-c2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000191510332 823693636 /nfs/dbraw/zinc/69/36/36/823693636.db2.gz HJOPXSGQXDFMLU-JTSKRJEESA-N 1 0 398.913 4.447 20 0 GIADRO CCC[N@H+](C)CC(=O)Nc1ccc(COc2ccc(Br)cc2)cc1 ZINC000063761962 823693895 /nfs/dbraw/zinc/69/38/95/823693895.db2.gz VKPGCQSFQKXXGZ-UHFFFAOYSA-N 1 0 391.309 4.308 20 0 GIADRO Cc1nc2ccccc2c(C)c1CC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000063758880 823693944 /nfs/dbraw/zinc/69/39/44/823693944.db2.gz HNOLLQVKDXMXDF-HDICACEKSA-N 1 0 381.564 4.268 20 0 GIADRO C[N@H+](CCCCCc1cc(-c2cccc(F)c2)no1)Cc1cccc(C(N)=O)c1 ZINC000063763473 823693996 /nfs/dbraw/zinc/69/39/96/823693996.db2.gz HVZKKGPEGAPPMA-UHFFFAOYSA-N 1 0 395.478 4.424 20 0 GIADRO C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)CCCCCc1cc(-c2cccc(F)c2)no1 ZINC000063763739 823694212 /nfs/dbraw/zinc/69/42/12/823694212.db2.gz VRDBCRVIPNGQEJ-INIZCTEOSA-N 1 0 389.515 4.429 20 0 GIADRO CCC[C@H](CCO)C[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000191520496 823694754 /nfs/dbraw/zinc/69/47/54/823694754.db2.gz XKZNPJXFWSACIS-BEFAXECRSA-N 1 0 384.358 4.305 20 0 GIADRO CC(C)C[NH+]1CCC(NC(=O)c2cc(-c3ccccc3C(F)(F)F)on2)CC1 ZINC000461785955 823695172 /nfs/dbraw/zinc/69/51/72/823695172.db2.gz PRADOICXNKLAAG-UHFFFAOYSA-N 1 0 395.425 4.211 20 0 GIADRO C[C@H](CNC(=O)c1cc2ccccc2cc1NC(=O)C1CC1)C[NH+]1CCCCC1 ZINC000063781949 823695366 /nfs/dbraw/zinc/69/53/66/823695366.db2.gz MLMZGVGOVASLME-QGZVFWFLSA-N 1 0 393.531 4.040 20 0 GIADRO CCCOc1ccc(C(=O)N(C)CC[N@H+](C)C2CCCCC2)cc1OCC ZINC000063778452 823695437 /nfs/dbraw/zinc/69/54/37/823695437.db2.gz DHKGYDIQNXAWMZ-UHFFFAOYSA-N 1 0 376.541 4.211 20 0 GIADRO C[NH+]1CCN(c2ccccc2NC(=O)N[C@H]2CCC(C)(C)c3ccccc32)CC1 ZINC000063784774 823695549 /nfs/dbraw/zinc/69/55/49/823695549.db2.gz NDVGKIPVNRWRGZ-FQEVSTJZSA-N 1 0 392.547 4.373 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1ccc(SCC(F)F)cc1 ZINC000125676190 823695621 /nfs/dbraw/zinc/69/56/21/823695621.db2.gz JLMGDGBEGGDXOS-AWEZNQCLSA-N 1 0 399.528 4.439 20 0 GIADRO Cn1c(SCc2ccc(C[NH+]3CCCCC3)cc2)nnc1-c1cccnc1 ZINC000412975712 823696010 /nfs/dbraw/zinc/69/60/10/823696010.db2.gz GRKZWEUUHCACLL-UHFFFAOYSA-N 1 0 379.533 4.155 20 0 GIADRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C)nc1-n1cc(Cl)cn1)CCCO2 ZINC000191530680 823696140 /nfs/dbraw/zinc/69/61/40/823696140.db2.gz PSRBPCBWKYIWBM-IBGZPJMESA-N 1 0 398.894 4.241 20 0 GIADRO CCCn1c(S[C@@H]2CC[N@H+](Cc3ccccc3)C2)nnc1-c1ccncc1 ZINC000412978829 823696323 /nfs/dbraw/zinc/69/63/23/823696323.db2.gz BSWSVOSKMKIYII-LJQANCHMSA-N 1 0 379.533 4.117 20 0 GIADRO COc1ccc(C[C@@H](C)[NH2+][C@@H](C)c2nc(-c3cccc(F)c3)no2)cc1OC ZINC000191532473 823696508 /nfs/dbraw/zinc/69/65/08/823696508.db2.gz SHSGEXHDZSBDOW-KGLIPLIRSA-N 1 0 385.439 4.175 20 0 GIADRO Fc1ccccc1NC(=S)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000063793861 823697117 /nfs/dbraw/zinc/69/71/17/823697117.db2.gz JYUFZBARYNMOQY-UHFFFAOYSA-N 1 0 384.524 4.167 20 0 GIADRO Cc1cccc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)c1Br ZINC000191542372 823697904 /nfs/dbraw/zinc/69/79/04/823697904.db2.gz FXLDRIHMSQWLNK-MRXNPFEDSA-N 1 0 389.337 4.445 20 0 GIADRO O=C(NCCSC(F)(F)F)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000063799297 823697972 /nfs/dbraw/zinc/69/79/72/823697972.db2.gz ZNWSLRPGTPKSRU-UHFFFAOYSA-N 1 0 389.487 4.115 20 0 GIADRO Cc1ccc(-c2nc(CC(=O)NC[C@@]3([NH+](C)C)CCC[C@H](C)C3)cs2)cc1 ZINC000063802924 823698302 /nfs/dbraw/zinc/69/83/02/823698302.db2.gz BEHYXJYLSYKCHB-HTAPYJJXSA-N 1 0 385.577 4.288 20 0 GIADRO CCn1c(SCc2ccc(C[NH+]3CCCCC3)cc2)nnc1-c1cnccn1 ZINC000413005037 823699621 /nfs/dbraw/zinc/69/96/21/823699621.db2.gz YDSLLLUMSWJLNU-UHFFFAOYSA-N 1 0 394.548 4.033 20 0 GIADRO O=C(CSc1cccc(Br)c1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000163299838 823700448 /nfs/dbraw/zinc/70/04/48/823700448.db2.gz RGFIDMOFMJXHFO-INIZCTEOSA-N 1 0 397.382 4.018 20 0 GIADRO CCN(CCC[NH+](C)C)C(=O)Nc1cccc(OCc2cccc(OC)c2)c1C ZINC000191566124 823700824 /nfs/dbraw/zinc/70/08/24/823700824.db2.gz DTJNPJGZZTXNQO-UHFFFAOYSA-N 1 0 399.535 4.388 20 0 GIADRO C[N@H+](CCCn1ccnc1)Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000574319087 823701888 /nfs/dbraw/zinc/70/18/88/823701888.db2.gz CLQBBZBQYZKVJZ-UHFFFAOYSA-N 1 0 391.338 4.291 20 0 GIADRO CCN1c2ccc(N[C@@H](C)[C@H]3CC[N@H+](Cc4ccccc4)C3)cc2CCC1=O ZINC000574320487 823702144 /nfs/dbraw/zinc/70/21/44/823702144.db2.gz ROLICIQFZPJFGZ-RXVVDRJESA-N 1 0 377.532 4.308 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)[C@H](C)C(=O)Nc3cc(C)ccc3C)C2)s1 ZINC000574320387 823702217 /nfs/dbraw/zinc/70/22/17/823702217.db2.gz PDVNSFUQGTZBKA-WOJBJXKFSA-N 1 0 399.604 4.454 20 0 GIADRO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000163335178 823702293 /nfs/dbraw/zinc/70/22/93/823702293.db2.gz RUWYQOZGRZBPNF-KSSFIOAISA-N 1 0 378.563 4.272 20 0 GIADRO Cc1cccc(-c2nc(CC(=O)NC[C@@H]3CCC[N@@H+](CC(C)C)C3)cs2)c1 ZINC000163337168 823702555 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COc1ccc2oc(C[NH2+]CC3CCN(C(=O)c4ccccc4)CC3)cc2c1 ZINC000125757595 823705206 /nfs/dbraw/zinc/70/52/06/823705206.db2.gz SZEFXPZWWTVXRA-UHFFFAOYSA-N 1 0 378.472 4.083 20 0 GIADRO CCc1c(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cnn1-c1ccccc1Cl ZINC000191590437 823705521 /nfs/dbraw/zinc/70/55/21/823705521.db2.gz ZJDMSCLPWLRAKO-CABCVRRESA-N 1 0 389.931 4.035 20 0 GIADRO CC[C@@H](CNC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)CC(F)(F)F ZINC000413097178 823706308 /nfs/dbraw/zinc/70/63/08/823706308.db2.gz PEXKVAUTDZPGBB-MRXNPFEDSA-N 1 0 385.474 4.237 20 0 GIADRO C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000191596234 823707102 /nfs/dbraw/zinc/70/71/02/823707102.db2.gz REHWIWRORRIAOB-HOTGVXAUSA-N 1 0 379.460 4.061 20 0 GIADRO CC[C@H](NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)c1nc(C)cs1 ZINC000125777545 823707874 /nfs/dbraw/zinc/70/78/74/823707874.db2.gz BFKALFRNEJDRGS-ABHNRTSZSA-N 1 0 378.586 4.245 20 0 GIADRO c1ccc(C2(c3noc(-c4ccc(C[NH+]5CCCC5)cc4)n3)CCOCC2)cc1 ZINC000574365104 823709827 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C[C@@H]([NH3+])c1ccc(NC(=O)Nc2ccc3c(c2)CCC(=O)N3CC2CC2)cc1 ZINC000574382437 823715025 /nfs/dbraw/zinc/71/50/25/823715025.db2.gz YJCSRASSFDEJPO-CQSZACIVSA-N 1 0 378.476 4.040 20 0 GIADRO O=C(N[C@H](CCc1ccccc1)c1ccccc1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000574383959 823715751 /nfs/dbraw/zinc/71/57/51/823715751.db2.gz XMANUZJSYIXPBZ-VWNXMTODSA-N 1 0 377.532 4.146 20 0 GIADRO Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+]CCC(=O)N1CCCCC1 ZINC000163499950 823715893 /nfs/dbraw/zinc/71/58/93/823715893.db2.gz ITTSYVRLOINWJG-AWEZNQCLSA-N 1 0 375.513 4.311 20 0 GIADRO COc1ccc(C[NH+]2CCC(c3noc(-c4ccccc4OC)n3)CC2)cc1F ZINC000191633145 823720007 /nfs/dbraw/zinc/72/00/07/823720007.db2.gz BCMIMIAXBZGHBG-UHFFFAOYSA-N 1 0 397.450 4.273 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+][C@H]1CCO[C@H](c2ccncc2)C1 ZINC000574402844 823720204 /nfs/dbraw/zinc/72/02/04/823720204.db2.gz LVQGKRMLEAISBN-JVPBZIDWSA-N 1 0 380.517 4.479 20 0 GIADRO CC(C)Sc1ccc([C@H](C)[NH2+]Cc2cc(Cl)cc(S(N)(=O)=O)c2)cc1 ZINC000574404582 823720724 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4.034 20 0 GIADRO CC(C)C(=O)N1CCC([NH2+]Cc2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC000163617320 823728572 /nfs/dbraw/zinc/72/85/72/823728572.db2.gz PQCGNBSIXFNAEP-UHFFFAOYSA-N 1 0 384.495 4.141 20 0 GIADRO COc1cc(C[NH2+]C[C@@](C)(O)C2CCCCC2)ccc1OCc1ccncc1 ZINC000191670780 823728570 /nfs/dbraw/zinc/72/85/70/823728570.db2.gz ZBQDJBUFCKRRMM-HSZRJFAPSA-N 1 0 384.520 4.090 20 0 GIADRO C[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ncc(-c2ccccc2)o1 ZINC000125853902 823729131 /nfs/dbraw/zinc/72/91/31/823729131.db2.gz XNZINEMNHBOXLR-RXVVDRJESA-N 1 0 389.499 4.431 20 0 GIADRO COC1CCN(CC[NH2+][C@@H](C)c2ccc(SCC(F)(F)F)cc2)CC1 ZINC000163632462 823729756 /nfs/dbraw/zinc/72/97/56/823729756.db2.gz QPJMLNLGDOJMKV-AWEZNQCLSA-N 1 0 376.488 4.102 20 0 GIADRO CC[C@@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1ccccc1Br ZINC000125859044 823730608 /nfs/dbraw/zinc/73/06/08/823730608.db2.gz SNAIMULNWFDCFD-GOSISDBHSA-N 1 0 396.350 4.235 20 0 GIADRO CC(C)(C)OCc1cccc(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000125859827 823731273 /nfs/dbraw/zinc/73/12/73/823731273.db2.gz YQHGSOAWTZVUBR-RBBKRZOGSA-N 1 0 399.579 4.160 20 0 GIADRO Cn1cc(C[NH2+]Cc2ccc(C3CC3)cc2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000191681443 823731584 /nfs/dbraw/zinc/73/15/84/823731584.db2.gz AYBSDHMRBDOGOB-UHFFFAOYSA-N 1 0 389.499 4.416 20 0 GIADRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+][C@@H]3CCN(CC(F)(F)F)C3)s2)cc1 ZINC000125864346 823732400 /nfs/dbraw/zinc/73/24/00/823732400.db2.gz KWHIYLGGJOEYFD-IUODEOHRSA-N 1 0 399.482 4.414 20 0 GIADRO CCCOCc1ccccc1C[NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000163659483 823733581 /nfs/dbraw/zinc/73/35/81/823733581.db2.gz ADOZPUWMQUMKFR-OAHLLOKOSA-N 1 0 379.497 4.007 20 0 GIADRO FC(F)(F)c1cccc(CC[NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)n1 ZINC000574452191 823734220 /nfs/dbraw/zinc/73/42/20/823734220.db2.gz BEXAANIFUGRINX-LJQANCHMSA-N 1 0 389.465 4.430 20 0 GIADRO O=C(c1cccc(C[NH+]2CCCC2)c1)N1CCn2cccc2[C@@H]1c1ccccc1 ZINC000064027686 823736856 /nfs/dbraw/zinc/73/68/56/823736856.db2.gz VKTWFXRHRUOCRH-DEOSSOPVSA-N 1 0 385.511 4.329 20 0 GIADRO Cc1ccc2c(CCNC(=O)c3ccc(C[NH+]4CCCC4)cc3)cn(C)c2c1 ZINC000574467230 823737470 /nfs/dbraw/zinc/73/74/70/823737470.db2.gz NXCNLSHNHUXGGU-UHFFFAOYSA-N 1 0 375.516 4.055 20 0 GIADRO CN(Cc1cccc2ccccc21)C(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000461885950 823738655 /nfs/dbraw/zinc/73/86/55/823738655.db2.gz VFQRUWFYSZYFTK-UHFFFAOYSA-N 1 0 387.527 4.011 20 0 GIADRO Clc1cccc2c1OCCC[C@H]2[NH2+]Cc1cccc(CN2CCOCC2)c1 ZINC000163699584 823738725 /nfs/dbraw/zinc/73/87/25/823738725.db2.gz FWRSMHKBCRAUAO-OAQYLSRUSA-N 1 0 386.923 4.176 20 0 GIADRO Cn1cc([C@H](CO)[NH2+][C@H](CCCc2ccccc2)Cc2ccc(Cl)cc2)cn1 ZINC000461888785 823739907 /nfs/dbraw/zinc/73/99/07/823739907.db2.gz IYQTYRDOMWCIKB-PKTZIBPZSA-N 1 0 397.950 4.331 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1cc(Cl)ccc1Br)c1ccccc1 ZINC000125900346 823740236 /nfs/dbraw/zinc/74/02/36/823740236.db2.gz WIYWOINABQNQFE-MRXNPFEDSA-N 1 0 381.701 4.135 20 0 GIADRO CC[C@@H](CCc1ccc(Br)cc1)[NH2+][C@@H](C)C(=O)NCc1ccco1 ZINC000461892598 823740835 /nfs/dbraw/zinc/74/08/35/823740835.db2.gz XAZVFOIVKMEIAG-YOEHRIQHSA-N 1 0 393.325 4.048 20 0 GIADRO CCCOc1cc(C)ccc1NC(=O)c1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000461892709 823741209 /nfs/dbraw/zinc/74/12/09/823741209.db2.gz YIYLBLICHHWVKG-UHFFFAOYSA-N 1 0 381.520 4.178 20 0 GIADRO CC[C@H](NC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1)c1ccccc1 ZINC000413263175 823741253 /nfs/dbraw/zinc/74/12/53/823741253.db2.gz GUFWTWSULVQHPZ-KNQAVFIVSA-N 1 0 395.547 4.337 20 0 GIADRO CC(C)c1c(NC(=O)NC[C@H]2CCC[N@H+](C)C2)cnn1-c1ccc(Cl)cc1 ZINC000191704702 823741435 /nfs/dbraw/zinc/74/14/35/823741435.db2.gz PBMJFSIGFGFYIS-OAHLLOKOSA-N 1 0 389.931 4.112 20 0 GIADRO CC(C)c1c(NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)cnn1-c1ccc(Cl)cc1 ZINC000191706566 823742108 /nfs/dbraw/zinc/74/21/08/823742108.db2.gz GCCSBFRSTLPGRT-GOSISDBHSA-N 1 0 399.926 4.127 20 0 GIADRO CC(C)c1nn(C)c(Cl)c1C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000163725579 823742012 /nfs/dbraw/zinc/74/20/12/823742012.db2.gz MLWNQPXQXFCTBO-CQSZACIVSA-N 1 0 376.932 4.056 20 0 GIADRO CC(C)c1c(NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)cnn1-c1ccc(Cl)cc1 ZINC000191706547 823742201 /nfs/dbraw/zinc/74/22/01/823742201.db2.gz GCCSBFRSTLPGRT-SFHVURJKSA-N 1 0 399.926 4.127 20 0 GIADRO COc1ccc(C[NH2+]C[C@@](C)(Cc2ccccc2)[C@@H](C)O)cc1OC(F)F ZINC000191710000 823743802 /nfs/dbraw/zinc/74/38/02/823743802.db2.gz ZWBGDCKXZIZMEW-QVKFZJNVSA-N 1 0 379.447 4.016 20 0 GIADRO C[C@H](O)[C@](C)(C[NH2+]Cc1ccccc1OCc1ccccn1)Cc1ccccc1 ZINC000191719132 823745770 /nfs/dbraw/zinc/74/57/70/823745770.db2.gz GGOGQNDGCPKGMM-CPJSRVTESA-N 1 0 390.527 4.380 20 0 GIADRO Cc1cccc2c(CCC(=O)NC[C@H]3CC[N@H+](CCc4ccccc4)C3)c[nH]c21 ZINC000163777184 823747711 /nfs/dbraw/zinc/74/77/11/823747711.db2.gz OQQKHEBMSQSIEN-OAQYLSRUSA-N 1 0 389.543 4.090 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)[C@@H](C)c1nc2ccccc2s1 ZINC000163805121 823750343 /nfs/dbraw/zinc/75/03/43/823750343.db2.gz WICWLRYFEWLIQQ-HZPDHXFCSA-N 1 0 397.544 4.045 20 0 GIADRO Cn1c2ccccc2nc1[C@H]([NH2+]CCCOCC(F)(F)F)c1ccccc1 ZINC000125946557 823750687 /nfs/dbraw/zinc/75/06/87/823750687.db2.gz CUESEAAJMAYGNY-GOSISDBHSA-N 1 0 377.410 4.221 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1cccc(C(F)(F)F)c1 ZINC000163814186 823751459 /nfs/dbraw/zinc/75/14/59/823751459.db2.gz XQUYAJVIMVKHOZ-AWEZNQCLSA-N 1 0 380.410 4.023 20 0 GIADRO CCN(Cc1occc1C)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000413323182 823752539 /nfs/dbraw/zinc/75/25/39/823752539.db2.gz HRNLNQDFEDFYOQ-APWZRJJASA-N 1 0 375.538 4.264 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1ccc(-c2ccccc2)o1 ZINC000163832452 823752590 /nfs/dbraw/zinc/75/25/90/823752590.db2.gz HIPHESBOHJHKDL-QGZVFWFLSA-N 1 0 378.472 4.264 20 0 GIADRO CN(C)C(=O)COc1cccc(C[NH2+][C@@H]2CCSc3c(Cl)cccc32)c1 ZINC000163830460 823752640 /nfs/dbraw/zinc/75/26/40/823752640.db2.gz YINCHVWLXSXAHK-GOSISDBHSA-N 1 0 390.936 4.134 20 0 GIADRO C[C@@H](c1ccc(OC(F)F)cc1)[NH+]1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000064141454 823753906 /nfs/dbraw/zinc/75/39/06/823753906.db2.gz RGXITBJFTGDEFR-HOTGVXAUSA-N 1 0 380.479 4.320 20 0 GIADRO CCN1CC[NH+](CC(C)(C)Nc2nc(C(F)F)nc3ccc(Cl)cc32)CC1 ZINC000413331682 823754159 /nfs/dbraw/zinc/75/41/59/823754159.db2.gz ZKYMCPMVRJDSOL-UHFFFAOYSA-N 1 0 397.901 4.049 20 0 GIADRO Cc1noc(C2CC[NH+](Cc3ccc(OCc4ccc(F)cc4)cc3)CC2)n1 ZINC000064143296 823754498 /nfs/dbraw/zinc/75/44/98/823754498.db2.gz QFOZMTXGEQKUOV-UHFFFAOYSA-N 1 0 381.451 4.476 20 0 GIADRO C[C@@H]([NH2+]C[C@H](OCC1CC1)c1ccc(Cl)cc1)c1ccc(-n2cnnn2)cc1 ZINC000574527472 823755661 /nfs/dbraw/zinc/75/56/61/823755661.db2.gz IARXWWFNDGHYMG-VFNWGFHPSA-N 1 0 397.910 4.134 20 0 GIADRO Cc1ncc([C@H](C)[NH2+]Cc2cccc(NC(=O)c3ccc(F)cc3)c2)c(C)n1 ZINC000125972202 823756711 /nfs/dbraw/zinc/75/67/11/823756711.db2.gz LKKYSPMHQYQFAQ-AWEZNQCLSA-N 1 0 378.451 4.336 20 0 GIADRO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H](C)C(C)(C)c2ccccc2)c(OC)c1 ZINC000163885535 823757142 /nfs/dbraw/zinc/75/71/42/823757142.db2.gz OYUDDCBEMORTME-IRXDYDNUSA-N 1 0 384.520 4.377 20 0 GIADRO C[C@H]1C[C@@H](NC(=O)NCc2cnccc2C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000413351061 823757669 /nfs/dbraw/zinc/75/76/69/823757669.db2.gz AGBKLPPMPSPVSU-RXVVDRJESA-N 1 0 394.563 4.231 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)NCc2cnccc2C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000413351062 823757809 /nfs/dbraw/zinc/75/78/09/823757809.db2.gz AGBKLPPMPSPVSU-WIYYLYMNSA-N 1 0 394.563 4.231 20 0 GIADRO CC[NH+](CC)C[C@@H]1CCN(Cc2cc(Br)cc3cccnc32)C1 ZINC000163902217 823758606 /nfs/dbraw/zinc/75/86/06/823758606.db2.gz KSSYCDYHWFDLCZ-HNNXBMFYSA-N 1 0 376.342 4.161 20 0 GIADRO C[C@H](Oc1ccccc1NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)C(F)(F)F ZINC000574551618 823762329 /nfs/dbraw/zinc/76/23/29/823762329.db2.gz HXKILLGAKWCIER-GJZGRUSLSA-N 1 0 387.446 4.354 20 0 GIADRO C[C@@H](C(=O)Nc1ccccc1NC(=O)Cc1cccs1)[NH+]1[C@H](C)CC[C@H]1C ZINC000413384984 823765253 /nfs/dbraw/zinc/76/52/53/823765253.db2.gz GDBSDVYQBHHVPY-OAGGEKHMSA-N 1 0 385.533 4.129 20 0 GIADRO COC(=O)c1cc(C[N@H+](C)[C@H](C)c2sc(-c3ccccc3)nc2C)cn1C ZINC000574557107 823765629 /nfs/dbraw/zinc/76/56/29/823765629.db2.gz NBVZVZJZCVZIBT-OAHLLOKOSA-N 1 0 383.517 4.437 20 0 GIADRO CC(=O)c1c(C)oc2ncnc(NC[C@H]3CCCC[N@H+](Cc4ccccc4)C3)c21 ZINC000574564876 823768367 /nfs/dbraw/zinc/76/83/67/823768367.db2.gz JDCUSQLSMOMZGV-LJQANCHMSA-N 1 0 392.503 4.448 20 0 GIADRO C[NH+](C)CC[C@H](NC(=O)N[C@H]1CCCc2cn(C3CCCC3)nc21)C(C)(C)C ZINC000461948681 823768863 /nfs/dbraw/zinc/76/88/63/823768863.db2.gz SYCRAPBDSAOYRY-OALUTQOASA-N 1 0 389.588 4.041 20 0 GIADRO C[C@H](CNC(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000413399562 823768763 /nfs/dbraw/zinc/76/87/63/823768763.db2.gz HKWCWENGNIRVLG-JZXOWHBKSA-N 1 0 385.474 4.175 20 0 GIADRO CC(C)([NH3+])c1noc(CN[C@@H](c2ccccc2)[C@H]2CCCc3ccccc32)n1 ZINC000574573202 823770228 /nfs/dbraw/zinc/77/02/28/823770228.db2.gz YJPHFSPGXOLNIW-FPOVZHCZSA-N 1 0 376.504 4.214 20 0 GIADRO CC[NH+](CC)CCSCC(=O)NC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000461956163 823771193 /nfs/dbraw/zinc/77/11/93/823771193.db2.gz HQHUPCVGDIJJJK-UHFFFAOYSA-N 1 0 377.381 4.420 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@H](C)c2cnc(C)nc2C)ccc1OCc1ccncc1 ZINC000164048296 823773602 /nfs/dbraw/zinc/77/36/02/823773602.db2.gz FLZYXLJCWBZAFH-HZPDHXFCSA-N 1 0 392.503 4.488 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)cnn1-c1ccc(F)cc1 ZINC000164048874 823773811 /nfs/dbraw/zinc/77/38/11/823773811.db2.gz MEOTXIRXQDXKCW-LSXCKUSFSA-N 1 0 385.508 4.469 20 0 GIADRO Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000574591495 823774068 /nfs/dbraw/zinc/77/40/68/823774068.db2.gz XMDMIRJXAGLQFN-HSZRJFAPSA-N 1 0 396.575 4.291 20 0 GIADRO Cc1ccccc1[C@H]1CN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000164056650 823774224 /nfs/dbraw/zinc/77/42/24/823774224.db2.gz KYCOJNHXBZCOKY-HSZRJFAPSA-N 1 0 392.543 4.197 20 0 GIADRO CC(C)[NH+]1CCC(NC(=O)N(Cc2ccc(F)cc2Cl)CC2CC2)CC1 ZINC000574592854 823774717 /nfs/dbraw/zinc/77/47/17/823774717.db2.gz KLDGVFIYVRASMG-UHFFFAOYSA-N 1 0 381.923 4.274 20 0 GIADRO COc1cc([C@H](C)NC2CC[NH+](C(C)C)CC2)ccc1OCc1ccncc1 ZINC000164065943 823774617 /nfs/dbraw/zinc/77/46/17/823774617.db2.gz WCADYSDLJLZLAE-SFHVURJKSA-N 1 0 383.536 4.193 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)NCc2ccccc2OCC(C)C)c1 ZINC000064226245 823774749 /nfs/dbraw/zinc/77/47/49/823774749.db2.gz WEQMNKDMYQRDIC-UHFFFAOYSA-N 1 0 383.536 4.173 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)NCc2ccc3[nH]c(C)c(C)c3c2)c1 ZINC000064228387 823775768 /nfs/dbraw/zinc/77/57/68/823775768.db2.gz MXLGPVODFMFHKD-UHFFFAOYSA-N 1 0 378.520 4.236 20 0 GIADRO Cc1cc([C@](C)(O)C[NH2+][C@@H](C)CC(=O)Nc2ccccc2C(F)(F)F)c(C)o1 ZINC000164097968 823777400 /nfs/dbraw/zinc/77/74/00/823777400.db2.gz PQMPVCHBGBSOKC-HXPMCKFVSA-N 1 0 398.425 4.130 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)N(C)[C@H]2CCc3ccccc32)[NH+]2CCCC2)cc1 ZINC000064237404 823778248 /nfs/dbraw/zinc/77/82/48/823778248.db2.gz MOLKJUFUFMJABW-XZOQPEGZSA-N 1 0 377.532 4.461 20 0 GIADRO Cc1ccc([C@H](CNC(=O)N2CCC[C@H]2c2ccncc2)[NH+]2CCCC2)cc1 ZINC000064237405 823778426 /nfs/dbraw/zinc/77/84/26/823778426.db2.gz JYBCGSOPIZIPKO-VXKWHMMOSA-N 1 0 378.520 4.074 20 0 GIADRO C[C@@H](NC(=O)N1CCC([NH+]2CCCC2)CC1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000164121670 823779760 /nfs/dbraw/zinc/77/97/60/823779760.db2.gz HJJRYNNXPNXXGF-HZPDHXFCSA-N 1 0 397.485 4.467 20 0 GIADRO COc1cccc(C2(CNC(=O)N3CCC[C@@H](C[N@@H+]4CCCC[C@@H]4C)C3)CC2)c1 ZINC000461978417 823780189 /nfs/dbraw/zinc/78/01/89/823780189.db2.gz RQABKKMMQIOZMO-PMACEKPBSA-N 1 0 399.579 4.023 20 0 GIADRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)N1CCc2ccc(Cl)cc21 ZINC000064251148 823780351 /nfs/dbraw/zinc/78/03/51/823780351.db2.gz MLXSVTKBDVASKP-UHFFFAOYSA-N 1 0 389.952 4.386 20 0 GIADRO C[C@@H](CNC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)CC(F)(F)F ZINC000413461348 823782098 /nfs/dbraw/zinc/78/20/98/823782098.db2.gz UPPKZXTYEYXOAN-RISCZKNCSA-N 1 0 399.379 4.196 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@@H](c1cccnc1)C(C)C ZINC000164177363 823783566 /nfs/dbraw/zinc/78/35/66/823783566.db2.gz DGDZXORFDBPXAC-MAUKXSAKSA-N 1 0 389.927 4.490 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)[C@@H](C)c2ccccc2C(F)(F)F)C1 ZINC000164171906 823783872 /nfs/dbraw/zinc/78/38/72/823783872.db2.gz MSEBVJBZCIESEZ-PMPSAXMXSA-N 1 0 385.474 4.181 20 0 GIADRO Cc1ccc([C@H](CNC(=O)C(=O)Nc2cccc(C(C)C)c2)[NH+]2CCCC2)cc1 ZINC000064272280 823784386 /nfs/dbraw/zinc/78/43/86/823784386.db2.gz WFXYDAJSXKLVOP-QFIPXVFZSA-N 1 0 393.531 4.010 20 0 GIADRO CC[NH+](CC)CCSCC(=O)N[C@H](C)Cc1ccc(Cl)cc1Cl ZINC000461989537 823785445 /nfs/dbraw/zinc/78/54/45/823785445.db2.gz NOCUTKAHFZKPCF-CYBMUJFWSA-N 1 0 377.381 4.116 20 0 GIADRO CC[C@@H](C)n1ncc(C(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)c1C1CC1 ZINC000574630672 823786180 /nfs/dbraw/zinc/78/61/80/823786180.db2.gz MQKHMLOGRMTSTJ-QVKFZJNVSA-N 1 0 376.504 4.315 20 0 GIADRO COC(=O)c1coc([C@@H](C)[NH2+]C[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)c1 ZINC000574634245 823786779 /nfs/dbraw/zinc/78/67/79/823786779.db2.gz SBWLTNQCPGPYQU-WBMJQRKESA-N 1 0 384.398 4.039 20 0 GIADRO COc1ccc(Cc2nc(C)c([C@H](C)[NH2+]CC3(O)CCCC3)s2)cc1OC ZINC000164218346 823787060 /nfs/dbraw/zinc/78/70/60/823787060.db2.gz BJQBRKHBYCLUCP-AWEZNQCLSA-N 1 0 390.549 4.015 20 0 GIADRO CCCN(CC[NH+](CC)CC)C(=O)NC[C@H]1CCCO[C@H]1c1ccc(C)cc1 ZINC000461996220 823787938 /nfs/dbraw/zinc/78/79/38/823787938.db2.gz ULCVJNWQZHGVAL-YADHBBJMSA-N 1 0 389.584 4.226 20 0 GIADRO C[C@H]([NH2+][C@@H]1C[C@H](C)Sc2sccc21)c1cccc(NS(C)(=O)=O)c1 ZINC000164241566 823788839 /nfs/dbraw/zinc/78/88/39/823788839.db2.gz PPVGKEVTYALUTM-MQIPJXDCSA-N 1 0 382.576 4.396 20 0 GIADRO C[C@H](C(=O)NC1CC[NH+](CC2CCCC2)CC1)c1cccc(Br)c1 ZINC000461998458 823789131 /nfs/dbraw/zinc/78/91/31/823789131.db2.gz ZGWMHTKLYCSCFG-HNNXBMFYSA-N 1 0 393.369 4.323 20 0 GIADRO O=C(NCCCc1ccccc1)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000064316862 823790064 /nfs/dbraw/zinc/79/00/64/823790064.db2.gz RKKDCGFVRBQFOM-NRFANRHFSA-N 1 0 390.449 4.190 20 0 GIADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000462001157 823790156 /nfs/dbraw/zinc/79/01/56/823790156.db2.gz GUPKHOHPHYTCPE-IEBWSBKVSA-N 1 0 399.539 4.094 20 0 GIADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccsc1 ZINC000064317506 823790648 /nfs/dbraw/zinc/79/06/48/823790648.db2.gz MQUBQRYVDQXUFS-MRXNPFEDSA-N 1 0 387.549 4.241 20 0 GIADRO COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000191834780 823790947 /nfs/dbraw/zinc/79/09/47/823790947.db2.gz UGOZGVHLAGYKDL-CQSZACIVSA-N 1 0 376.884 4.068 20 0 GIADRO COc1ccccc1-c1csc(C2CC[NH+](Cc3cn(C)nc3C)CC2)n1 ZINC000191835955 823791434 /nfs/dbraw/zinc/79/14/34/823791434.db2.gz PWPWINGTDPAJLV-UHFFFAOYSA-N 1 0 382.533 4.240 20 0 GIADRO CCCCN(C(=O)CCn1ccnc1C(C)C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000462005233 823791832 /nfs/dbraw/zinc/79/18/32/823791832.db2.gz HMHUWDOFFQHSNB-UHFFFAOYSA-N 1 0 376.589 4.335 20 0 GIADRO CC(C)c1c(C(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)cnn1-c1ccc(F)cc1 ZINC000574660776 823793503 /nfs/dbraw/zinc/79/35/03/823793503.db2.gz BZFUUEYYPWPDPM-KRWDZBQOSA-N 1 0 398.526 4.081 20 0 GIADRO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cc(-c2ccccc2)ns1 ZINC000462010765 823793682 /nfs/dbraw/zinc/79/36/82/823793682.db2.gz UDMRCNYNVPNZMC-LJQANCHMSA-N 1 0 391.540 4.105 20 0 GIADRO CCO[C@H](CC)C(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000574661767 823793785 /nfs/dbraw/zinc/79/37/85/823793785.db2.gz SQVKUMCKMQGKDS-CUCSMPGESA-N 1 0 378.944 4.185 20 0 GIADRO O=C(Nc1nc2cc(F)c(F)cc2s1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000064345798 823797269 /nfs/dbraw/zinc/79/72/69/823797269.db2.gz NSYKSXBTBNHOQQ-UHFFFAOYSA-N 1 0 387.455 4.425 20 0 GIADRO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1F ZINC000164348023 823797315 /nfs/dbraw/zinc/79/73/15/823797315.db2.gz FQTCABUVDBWKJL-SJLPKXTDSA-N 1 0 399.514 4.047 20 0 GIADRO CC[N@H+](CC(=O)NCc1cccc(COC)c1)[C@@H](C)c1cc2ccccc2o1 ZINC000064349350 823798684 /nfs/dbraw/zinc/79/86/84/823798684.db2.gz KYVNDTWXSAROMD-KRWDZBQOSA-N 1 0 380.488 4.279 20 0 GIADRO CSC1(CNC(=O)N(C)[C@@H]2CCCC[C@H]2c2ccccc2)CC[NH+](C)CC1 ZINC000413578926 823800237 /nfs/dbraw/zinc/80/02/37/823800237.db2.gz KEYUNTMUGUABFS-VQTJNVASSA-N 1 0 389.609 4.182 20 0 GIADRO [NH3+]Cc1ccc(CNC(=O)N2CCC[C@H]2c2ccc(Br)s2)cc1 ZINC000574689546 823801867 /nfs/dbraw/zinc/80/18/67/823801867.db2.gz LTPIHHZGBNJNJM-AWEZNQCLSA-N 1 0 394.338 4.016 20 0 GIADRO Cc1nc(-c2ccc(CC[NH2+][C@H](C)c3cccc(-n4cnnn4)c3)s2)cs1 ZINC000164462895 823803721 /nfs/dbraw/zinc/80/37/21/823803721.db2.gz DPCARGOEGKAREK-CYBMUJFWSA-N 1 0 396.545 4.049 20 0 GIADRO CN1CC[NH+]([C@H]2CCCCN(C(=O)Nc3cccc(-c4cccs4)c3)C2)CC1 ZINC000126167631 823803921 /nfs/dbraw/zinc/80/39/21/823803921.db2.gz DVGGLBXGKSZTJF-FQEVSTJZSA-N 1 0 398.576 4.049 20 0 GIADRO [NH3+]CCC1CCN(C(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)CC1 ZINC000574699935 823804112 /nfs/dbraw/zinc/80/41/12/823804112.db2.gz OTFYOAGYMIQPEF-UHFFFAOYSA-N 1 0 394.302 4.382 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1c(C)nc(C2CC2)nc1SC)c1ccccc1 ZINC000462034380 823804462 /nfs/dbraw/zinc/80/44/62/823804462.db2.gz CUJJBORLFXKNCA-SFHVURJKSA-N 1 0 398.576 4.197 20 0 GIADRO C[C@H]1c2cc3c(cc2C2(CCCC2)C[N@H+]1C[C@@H]1CC2(CCC2)C(=O)O1)OCCO3 ZINC000191889032 823804869 /nfs/dbraw/zinc/80/48/69/823804869.db2.gz TVUDYOOBIQTPSE-IRXDYDNUSA-N 1 0 397.515 4.132 20 0 GIADRO Cn1cc(-c2ccc(C[N@@H+]3CCCN(c4ccc(F)c(F)c4)CC3)s2)cn1 ZINC000574710190 823805412 /nfs/dbraw/zinc/80/54/12/823805412.db2.gz UPAHHWRRDNDXFP-UHFFFAOYSA-N 1 0 388.487 4.139 20 0 GIADRO COc1cc([C@H](C)[NH2+]Cc2ccc(C)cc2C)ccc1S(=O)(=O)C(F)F ZINC000164501082 823805323 /nfs/dbraw/zinc/80/53/23/823805323.db2.gz CZBRISUHILLIPD-AWEZNQCLSA-N 1 0 383.460 4.159 20 0 GIADRO COc1cc([C@@H](C)[NH2+]Cc2ccc(C)cc2C)ccc1S(=O)(=O)C(F)F ZINC000164501212 823805517 /nfs/dbraw/zinc/80/55/17/823805517.db2.gz CZBRISUHILLIPD-CQSZACIVSA-N 1 0 383.460 4.159 20 0 GIADRO O=C(CC[NH+]1CCCCC1)Nc1ccc(NCC2=Cc3ccccc3OC2)cc1 ZINC000126177230 823805928 /nfs/dbraw/zinc/80/59/28/823805928.db2.gz IQUOFMWWWPQICT-UHFFFAOYSA-N 1 0 391.515 4.389 20 0 GIADRO C[C@@H]1OCC[C@]12C[N@H+](Cc1ccc(OCc3ccc(F)cc3)cc1)C[C@@H](C)O2 ZINC000574716884 823807644 /nfs/dbraw/zinc/80/76/44/823807644.db2.gz XIHDPEJDRSJSHT-STSQHVNTSA-N 1 0 385.479 4.173 20 0 GIADRO C[NH+](C)CCN(Cc1ccccc1)C(=O)N[C@@H]1CCc2sc(Cl)cc21 ZINC000462044212 823809865 /nfs/dbraw/zinc/80/98/65/823809865.db2.gz IHKPBRHFJVKFSS-MRXNPFEDSA-N 1 0 377.941 4.162 20 0 GIADRO C[C@@]12CCC[N@@H+]1C[C@H](c1noc(-c3cc(Oc4ccccc4)ccc3O)n1)OC2 ZINC000574724226 823810061 /nfs/dbraw/zinc/81/00/61/823810061.db2.gz BPXCPJXQEWSWET-KNQAVFIVSA-N 1 0 393.443 4.160 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CCc2sc(Cl)cc21 ZINC000462048950 823811637 /nfs/dbraw/zinc/81/16/37/823811637.db2.gz CVYSSYTULWZCBB-MRXNPFEDSA-N 1 0 395.931 4.301 20 0 GIADRO CC(C)(CO)[C@H]([NH2+]CC(=O)Nc1cccc(Cl)c1Cl)c1ccccc1 ZINC000574728253 823811942 /nfs/dbraw/zinc/81/19/42/823811942.db2.gz HBJRVZHVUOMIIZ-GOSISDBHSA-N 1 0 381.303 4.281 20 0 GIADRO OC1(C[NH2+][C@H](CCCc2ccccc2)Cc2ccc(Cl)cc2)CCOCC1 ZINC000462051880 823813233 /nfs/dbraw/zinc/81/32/33/823813233.db2.gz VWDVXRBJKHIOLT-JOCHJYFZSA-N 1 0 387.951 4.405 20 0 GIADRO CSc1cccc(C)c1NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000191937178 823816454 /nfs/dbraw/zinc/81/64/54/823816454.db2.gz AUBSMPIOSOOAKZ-IBGZPJMESA-N 1 0 399.560 4.130 20 0 GIADRO CC[C@H](C)n1ncc(C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)c1C1CC1 ZINC000126228935 823816481 /nfs/dbraw/zinc/81/64/81/823816481.db2.gz JQQADRBXOJWXEY-OALUTQOASA-N 1 0 394.563 4.468 20 0 GIADRO COc1cccc(-c2nn(C(C)(C)C)cc2C[N@H+](C)CCCn2ccnc2C)c1 ZINC000574745563 823817096 /nfs/dbraw/zinc/81/70/96/823817096.db2.gz HRMMTZNWUJFTRQ-UHFFFAOYSA-N 1 0 395.551 4.341 20 0 GIADRO O=C(c1ccc(Cl)cc1)N1CCC([NH2+]CCc2c(F)cccc2F)CC1 ZINC000164743510 823818313 /nfs/dbraw/zinc/81/83/13/823818313.db2.gz YYXWYSJSVFSXBN-UHFFFAOYSA-N 1 0 378.850 4.055 20 0 GIADRO Cc1ccc(C(=O)N2CCC([N@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)cn1 ZINC000064447790 823820421 /nfs/dbraw/zinc/82/04/21/823820421.db2.gz ZFAOCRLSPHVAID-UHFFFAOYSA-N 1 0 391.437 4.145 20 0 GIADRO Cc1cccnc1-c1nnc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1C1CC1 ZINC000574764364 823820825 /nfs/dbraw/zinc/82/08/25/823820825.db2.gz ZANLJTZCYGVBRD-IBGZPJMESA-N 1 0 394.567 4.076 20 0 GIADRO CCc1c(NC(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)cnn1C(CC)CC ZINC000574767745 823821667 /nfs/dbraw/zinc/82/16/67/823821667.db2.gz AHUFPQFUWZXQJA-MRXNPFEDSA-N 1 0 375.561 4.145 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1cc(-c2ccccc2C)nn1C)c1ccco1 ZINC000462081339 823822812 /nfs/dbraw/zinc/82/28/12/823822812.db2.gz RRBHIQJIZWXQFZ-IBGZPJMESA-N 1 0 395.507 4.193 20 0 GIADRO CSCC[C@@H](C)[N@H+](C)Cc1nc(-c2ccc(Br)s2)no1 ZINC000126261375 823823619 /nfs/dbraw/zinc/82/36/19/823823619.db2.gz OIAOMLKGSZQRSG-SECBINFHSA-N 1 0 376.345 4.134 20 0 GIADRO O=C(c1ccc(Cl)cc1)N1CCC[N@@H+](CCCOc2ccc(F)cc2)CC1 ZINC000064480739 823827981 /nfs/dbraw/zinc/82/79/81/823827981.db2.gz IGHFBCHUEMZDRT-UHFFFAOYSA-N 1 0 390.886 4.096 20 0 GIADRO O=C(c1ccc(Cl)cc1)N1CCC[N@@H+](CCOc2ccc(Cl)cc2)CC1 ZINC000064481148 823828160 /nfs/dbraw/zinc/82/81/60/823828160.db2.gz DNGUTEPLYPMQOV-UHFFFAOYSA-N 1 0 393.314 4.220 20 0 GIADRO O=C(CCCc1ccc2c(c1)-c1ccccc1C2)N1CCN(c2cc[nH+]cc2)CC1 ZINC000064486656 823828662 /nfs/dbraw/zinc/82/86/62/823828662.db2.gz NLKHVMAWYUEBNO-UHFFFAOYSA-N 1 0 397.522 4.324 20 0 GIADRO CC[C@@H](CNC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)CC(F)(F)F ZINC000413735896 823828631 /nfs/dbraw/zinc/82/86/31/823828631.db2.gz IZUVIEQJKBJLMZ-YLJYHZDGSA-N 1 0 397.485 4.273 20 0 GIADRO O=C(NCc1ccco1)c1cccc(C[NH2+][C@H]2CCCOc3ccc(F)cc32)c1 ZINC000164989810 823828822 /nfs/dbraw/zinc/82/88/22/823828822.db2.gz YDBJAMNPCCYFRE-NRFANRHFSA-N 1 0 394.446 4.352 20 0 GIADRO CC[NH+]1CCC(N(c2ccccc2)S(=O)(=O)c2c(F)cccc2Cl)CC1 ZINC000191976412 823829725 /nfs/dbraw/zinc/82/97/25/823829725.db2.gz LILBNONLGOJFII-UHFFFAOYSA-N 1 0 396.915 4.159 20 0 GIADRO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000165007203 823829824 /nfs/dbraw/zinc/82/98/24/823829824.db2.gz JGNWKUSRLZGCNG-SQVLJLFZSA-N 1 0 398.620 4.026 20 0 GIADRO C[NH+](C)CCN(Cc1ccc2c(c1)COC(C)(C)O2)Cc1ccc(F)cc1F ZINC000574796545 823829937 /nfs/dbraw/zinc/82/99/37/823829937.db2.gz GHUXXXUTFQHMLJ-UHFFFAOYSA-N 1 0 390.474 4.174 20 0 GIADRO CC[C@H]([NH2+]Cc1cccc(C(=O)NCc2ccco2)c1)c1ccccc1OC ZINC000165032205 823831120 /nfs/dbraw/zinc/83/11/20/823831120.db2.gz OGQOZPDGPBWWGD-NRFANRHFSA-N 1 0 378.472 4.459 20 0 GIADRO CC(=O)c1ccc(Oc2ccc(C(=O)N(C)[C@H]3CC[N@H+](C)[C@@H](C)C3)cc2)cc1 ZINC000126292352 823831744 /nfs/dbraw/zinc/83/17/44/823831744.db2.gz HAMCKGCWGUGAST-JXFKEZNVSA-N 1 0 380.488 4.236 20 0 GIADRO CC(C)Oc1ccc(C[NH2+][C@H](C)CC(=O)Nc2ccccc2C(F)(F)F)cn1 ZINC000126291453 823831831 /nfs/dbraw/zinc/83/18/31/823831831.db2.gz OCEKHOIXIASSLT-CQSZACIVSA-N 1 0 395.425 4.395 20 0 GIADRO CCOc1ccc(Oc2ccc(NC(=O)N3CC[C@H](C[NH+](C)C)C3)cc2)cc1 ZINC000126296884 823833303 /nfs/dbraw/zinc/83/33/03/823833303.db2.gz UXQNJZSABZKPFT-QGZVFWFLSA-N 1 0 383.492 4.293 20 0 GIADRO C[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)CC(F)(F)F ZINC000413751333 823833693 /nfs/dbraw/zinc/83/36/93/823833693.db2.gz UOWGHXDHCQRZJF-YTQUADARSA-N 1 0 397.485 4.271 20 0 GIADRO CC(C)[C@@H](Cc1ccccc1)C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000126302749 823834212 /nfs/dbraw/zinc/83/42/12/823834212.db2.gz HQIZRXAMGSHIDP-HSZRJFAPSA-N 1 0 379.548 4.271 20 0 GIADRO O=C(CCc1ccc(Cl)s1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000064521310 823835164 /nfs/dbraw/zinc/83/51/64/823835164.db2.gz ZUWWMGCAHKBXAL-AWEZNQCLSA-N 1 0 382.982 4.424 20 0 GIADRO C[N@H+](CCCCCc1cc(-c2ccccc2)n[nH]1)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000192017339 823835464 /nfs/dbraw/zinc/83/54/64/823835464.db2.gz GGQKGMYFLUTWDX-HXUWFJFHSA-N 1 0 381.520 4.207 20 0 GIADRO O=C(CCOc1cccc(Cl)c1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000064521481 823835681 /nfs/dbraw/zinc/83/56/81/823835681.db2.gz QNUCYACJUDFVML-INIZCTEOSA-N 1 0 392.952 4.199 20 0 GIADRO Cc1ccc(C)c(SCC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000064522098 823836056 /nfs/dbraw/zinc/83/60/56/823836056.db2.gz GJRWNQIXHVKMTQ-SFHVURJKSA-N 1 0 388.602 4.485 20 0 GIADRO C#Cc1cccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C(F)(F)F)cc2)c1 ZINC000064528959 823836386 /nfs/dbraw/zinc/83/63/86/823836386.db2.gz MKSZQHQASJZXTI-UHFFFAOYSA-N 1 0 389.421 4.282 20 0 GIADRO CC[N@H+](CCC1CCN(C(=O)NC[C@H](C)CC(F)(F)F)CC1)CC1CC1 ZINC000413765271 823836999 /nfs/dbraw/zinc/83/69/99/823836999.db2.gz OESWPWKBTUCGMC-OAHLLOKOSA-N 1 0 377.495 4.119 20 0 GIADRO O=C(C[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)Nc1cccc2c1N=S=N2 ZINC000192031124 823837711 /nfs/dbraw/zinc/83/77/11/823837711.db2.gz XNZDLBQEEOMXKV-CRAIPNDOSA-N 1 0 388.880 4.125 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)N2CCc3ccccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000574836735 823837863 /nfs/dbraw/zinc/83/78/63/823837863.db2.gz YIXBYUCVYWQIQB-WMZHIEFXSA-N 1 0 377.532 4.150 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNc2cnn(C(C)(C)C)c(=O)c2Cl)c1 ZINC000064538155 823839231 /nfs/dbraw/zinc/83/92/31/823839231.db2.gz CVLYSRBNUYTODB-UHFFFAOYSA-N 1 0 376.932 4.106 20 0 GIADRO CC(C)CNC(=O)c1cccc(C[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)c1 ZINC000192036321 823839598 /nfs/dbraw/zinc/83/95/98/823839598.db2.gz CJTOLJSGKAZNGP-NHCUHLMSSA-N 1 0 386.923 4.346 20 0 GIADRO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3sccc3Br)C2)n1 ZINC000165208688 823839872 /nfs/dbraw/zinc/83/98/72/823839872.db2.gz NQZNZNWSYKEJRL-CYBMUJFWSA-N 1 0 394.338 4.065 20 0 GIADRO Cc1nn(Cc2ccc(C)cc2)c(C)c1CN(CC[NH+](C)C)Cc1ccco1 ZINC000574845379 823840755 /nfs/dbraw/zinc/84/07/55/823840755.db2.gz BANOXDGZUQNLDC-UHFFFAOYSA-N 1 0 380.536 4.013 20 0 GIADRO CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+]Cc1ccn(C)c1 ZINC000126326866 823840897 /nfs/dbraw/zinc/84/08/97/823840897.db2.gz OPSPZWQQHRAALP-UHFFFAOYSA-N 1 0 387.325 4.387 20 0 GIADRO CCn1c(-c2ccccc2)nn(CN2CC[NH+](C3CCCCC3)CC2)c1=S ZINC000165240893 823841141 /nfs/dbraw/zinc/84/11/41/823841141.db2.gz IOLBYTQOOJHJDC-UHFFFAOYSA-N 1 0 385.581 4.009 20 0 GIADRO Cc1c(NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)cnn1CCC(C)C ZINC000165261224 823841427 /nfs/dbraw/zinc/84/14/27/823841427.db2.gz QMYMDVRNZDEZDZ-UHFFFAOYSA-N 1 0 382.552 4.478 20 0 GIADRO CC(C)(C)OC(=O)NC(C)(C)c1noc(C[N@@H+]2CCC[C@@H]2C2CCCCC2)n1 ZINC000165267769 823841511 /nfs/dbraw/zinc/84/15/11/823841511.db2.gz HTMIFQORKVUOHC-MRXNPFEDSA-N 1 0 392.544 4.374 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CCc2c[nH]c3cccc(C)c23)cc1 ZINC000165250360 823841657 /nfs/dbraw/zinc/84/16/57/823841657.db2.gz PFRYIHCCCFVOFP-MRXNPFEDSA-N 1 0 385.533 4.131 20 0 GIADRO C[C@H](C(=O)Nc1ccc(F)cc1OCCC(F)(F)F)[NH+]1[C@H](C)CC[C@H]1C ZINC000413790443 823841834 /nfs/dbraw/zinc/84/18/34/823841834.db2.gz KIZJBCPROGMGKH-JHJVBQTASA-N 1 0 376.394 4.357 20 0 GIADRO COc1ccc(Cc2nc(C)c([C@@H](C)[NH2+][C@H]3CCCC[C@@H]3O)s2)cc1OC ZINC000165276619 823841892 /nfs/dbraw/zinc/84/18/92/823841892.db2.gz YVUUMYPLHIJAHK-COXVUDFISA-N 1 0 390.549 4.014 20 0 GIADRO CCc1ccc([C@H](COC)[NH2+][C@@H](C)CC(=O)Nc2cc(Cl)ccc2OC)o1 ZINC000165283094 823842207 /nfs/dbraw/zinc/84/22/07/823842207.db2.gz ZSUQAELWXRXGDV-GUYCJALGSA-N 1 0 394.899 4.198 20 0 GIADRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)c3ccc(C4=CCCC4)cc3)nc2)C1 ZINC000574850840 823842650 /nfs/dbraw/zinc/84/26/50/823842650.db2.gz OLNSKHMCRIVBDW-NRFANRHFSA-N 1 0 376.504 4.042 20 0 GIADRO CC[NH+](CC)CC1CCN(C(=O)[C@H](C)c2cccc(Br)c2)CC1 ZINC000462146415 823844206 /nfs/dbraw/zinc/84/42/06/823844206.db2.gz NJWZCLHLWPAIEZ-OAHLLOKOSA-N 1 0 381.358 4.133 20 0 GIADRO C[C@@H](N[C@H](C)c1ccc(OCC[NH+](C)C)cc1)c1noc(Cc2ccccc2)n1 ZINC000165346513 823844348 /nfs/dbraw/zinc/84/43/48/823844348.db2.gz RFURGEZOVCLDFR-QZTJIDSGSA-N 1 0 394.519 4.013 20 0 GIADRO O=C(C[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1)Nc1ccccc1C(F)(F)F ZINC000192051372 823844857 /nfs/dbraw/zinc/84/48/57/823844857.db2.gz NNKYWILCPJTOLF-FUHWJXTLSA-N 1 0 398.812 4.417 20 0 GIADRO CN1CCCc2cc(NC(=O)NCc3ccccc3C[NH+]3CCCCC3)ccc21 ZINC000064562088 823845269 /nfs/dbraw/zinc/84/52/69/823845269.db2.gz MDSJLKQWDHMHIE-UHFFFAOYSA-N 1 0 392.547 4.377 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)Nc2cccc(NC(C)=O)c2C)cc1 ZINC000126349439 823845873 /nfs/dbraw/zinc/84/58/73/823845873.db2.gz ARWRNRYPOBIPPN-UHFFFAOYSA-N 1 0 382.508 4.117 20 0 GIADRO CC(=O)N(c1nc(CN2CCC[C@@H]([NH+](C)C)C2)cs1)c1cccc(Cl)c1 ZINC000165376435 823846053 /nfs/dbraw/zinc/84/60/53/823846053.db2.gz JNKXQFPOICHBAG-GOSISDBHSA-N 1 0 392.956 4.007 20 0 GIADRO C[C@@H](N[C@H](C)c1cccc(OCC[NH+](C)C)c1)c1noc(Cc2ccccc2)n1 ZINC000165378903 823846392 /nfs/dbraw/zinc/84/63/92/823846392.db2.gz JHORGZWIXUXSLV-QZTJIDSGSA-N 1 0 394.519 4.013 20 0 GIADRO Cc1ccc(F)cc1NC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000192058996 823846612 /nfs/dbraw/zinc/84/66/12/823846612.db2.gz QCZHZGVTSDWGID-BOFPYLFWSA-N 1 0 376.859 4.234 20 0 GIADRO C[C@@H]([NH2+]C1CCN(Cc2ccccc2Cl)CC1)c1ccc(NC(N)=O)cc1 ZINC000165418363 823848194 /nfs/dbraw/zinc/84/81/94/823848194.db2.gz LWVPGBDGHNWGJM-OAHLLOKOSA-N 1 0 386.927 4.146 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@@H](O)c1ccc(Cl)cc1 ZINC000126359572 823848247 /nfs/dbraw/zinc/84/82/47/823848247.db2.gz NHIRDKJEGHNIFO-SJKOYZFVSA-N 1 0 397.302 4.042 20 0 GIADRO COc1ccc(C[NH2+]Cc2cccc(CN3CCO[C@H](C)C3)c2)c2ccccc12 ZINC000165447674 823849339 /nfs/dbraw/zinc/84/93/39/823849339.db2.gz SUQRBIFHVHHDLO-LJQANCHMSA-N 1 0 390.527 4.359 20 0 GIADRO COc1ccc(Cc2nc(C)c([C@@H](C)[NH2+]CC[C@@H](O)C(C)C)s2)cc1OC ZINC000165459107 823849894 /nfs/dbraw/zinc/84/98/94/823849894.db2.gz AGMAIGABYKXKOQ-RHSMWYFYSA-N 1 0 392.565 4.117 20 0 GIADRO COc1cc(OC)c([C@H](C)[NH2+][C@@H](C)c2ccc(NC(N)=O)cc2)cc1Cl ZINC000165469828 823849925 /nfs/dbraw/zinc/84/99/25/823849925.db2.gz OHXLASITCFOGMR-RYUDHWBXSA-N 1 0 377.872 4.260 20 0 GIADRO C[C@@H](NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000462164441 823849972 /nfs/dbraw/zinc/84/99/72/823849972.db2.gz NDHYBVADZGCKKH-CRAIPNDOSA-N 1 0 383.458 4.426 20 0 GIADRO CN(C(=O)NCc1ccc2sccc2c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000462165541 823850426 /nfs/dbraw/zinc/85/04/26/823850426.db2.gz JSQKZYNPEVHODE-FQEVSTJZSA-N 1 0 379.529 4.317 20 0 GIADRO C[C@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)c1ccc(C(F)(F)F)cc1 ZINC000462165324 823850526 /nfs/dbraw/zinc/85/05/26/823850526.db2.gz BJQOQXKDALEEST-MAUKXSAKSA-N 1 0 383.458 4.426 20 0 GIADRO C[C@H]1CCc2sc(C(=O)N(C)CC3CCN(c4cc[nH+]cc4)CC3)cc2C1 ZINC000126371138 823850870 /nfs/dbraw/zinc/85/08/70/823850870.db2.gz NLXKBXGHPXVKDR-INIZCTEOSA-N 1 0 383.561 4.257 20 0 GIADRO C[C@@H](NC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000462166216 823850997 /nfs/dbraw/zinc/85/09/97/823850997.db2.gz FECWJOUWPRHZMS-GDBMZVCRSA-N 1 0 383.458 4.140 20 0 GIADRO CN(C(=O)Nc1cccc(Cl)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000165544009 823852993 /nfs/dbraw/zinc/85/29/93/823852993.db2.gz WETWTRVWYZGRLW-UXHICEINSA-N 1 0 392.975 4.141 20 0 GIADRO CCOc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(N2CCCC2)c1 ZINC000126381168 823853017 /nfs/dbraw/zinc/85/30/17/823853017.db2.gz LMTXRLKWPFEGBT-MSOLQXFVSA-N 1 0 381.520 4.363 20 0 GIADRO C[C@H](Sc1nc2ccccc2s1)C(=O)NCc1ccccc1C[NH+](C)C ZINC000126387023 823853922 /nfs/dbraw/zinc/85/39/22/823853922.db2.gz UWAGMYOIIAQYSB-AWEZNQCLSA-N 1 0 385.558 4.155 20 0 GIADRO CC(C)(Cc1ccccc1)c1noc([C@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000574896528 823854932 /nfs/dbraw/zinc/85/49/32/823854932.db2.gz YKFADINROCNZSM-FQEVSTJZSA-N 1 0 376.504 4.365 20 0 GIADRO COc1ccc(Cl)c(C[NH+]2CCC(C(=O)Nc3ccccc3OC)CC2)c1 ZINC000192085797 823855088 /nfs/dbraw/zinc/85/50/88/823855088.db2.gz XXEOJQVJNQDGFD-UHFFFAOYSA-N 1 0 388.895 4.208 20 0 GIADRO CCC[N@H+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)[C@H]1CCc2ccccc2C1 ZINC000064632781 823855865 /nfs/dbraw/zinc/85/58/65/823855865.db2.gz AFJBDJSRCMLVPG-OALUTQOASA-N 1 0 382.470 4.057 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)N(C)c2ccc(C(=O)NC(C)(C)C)cc2)cc1 ZINC000413878222 823855826 /nfs/dbraw/zinc/85/58/26/823855826.db2.gz HTIVWRAPFQZGPX-UHFFFAOYSA-N 1 0 395.547 4.333 20 0 GIADRO COc1ccc(C[N@H+](C[C@@H](O)c2cc(OC)ccc2OC)[C@@H](C)C2CC2)cc1 ZINC000064641535 823856313 /nfs/dbraw/zinc/85/63/13/823856313.db2.gz XUALZGFGAWDUNL-KSFYIVLOSA-N 1 0 385.504 4.047 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CCCc2nnc(SC)n2CC(C)C)c(F)c1 ZINC000165631765 823856351 /nfs/dbraw/zinc/85/63/51/823856351.db2.gz LIRYQPXAFTYDGY-CQSZACIVSA-N 1 0 380.533 4.087 20 0 GIADRO C=Cc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C(F)(F)F)cc1 ZINC000192090905 823856830 /nfs/dbraw/zinc/85/68/30/823856830.db2.gz PPVIFUQVSXJMPT-UHFFFAOYSA-N 1 0 389.421 4.353 20 0 GIADRO Cc1cccc(Cl)c1NC(=O)C[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000192091223 823857102 /nfs/dbraw/zinc/85/71/02/823857102.db2.gz BMRXPUGQNUNPGP-VQIMIIECSA-N 1 0 397.277 4.499 20 0 GIADRO CSc1nnc(CCC[NH2+][C@@H](C)c2cc(F)c(F)c(F)c2)n1CC(C)C ZINC000165666004 823857727 /nfs/dbraw/zinc/85/77/27/823857727.db2.gz CXWFDBARCGRUCI-LBPRGKRZSA-N 1 0 386.487 4.357 20 0 GIADRO C[C@@H](CSc1ccccc1)C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000126407786 823859328 /nfs/dbraw/zinc/85/93/28/823859328.db2.gz NUHJKEACGZRDAR-SFHVURJKSA-N 1 0 383.561 4.185 20 0 GIADRO CCc1onc(-c2ccccc2Cl)c1C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000574919273 823859944 /nfs/dbraw/zinc/85/99/44/823859944.db2.gz UDDIHJXYWNVQOF-AWEZNQCLSA-N 1 0 389.927 4.360 20 0 GIADRO Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000192102857 823860393 /nfs/dbraw/zinc/86/03/93/823860393.db2.gz RXIVMGZGPYUYCO-QFBILLFUSA-N 1 0 397.277 4.499 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)CCc2ccc(-c3ccccc3)[nH]2)c(F)c1 ZINC000413896430 823861897 /nfs/dbraw/zinc/86/18/97/823861897.db2.gz CCVUCJKXSFQWGS-UHFFFAOYSA-N 1 0 395.478 4.333 20 0 GIADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)N(c2ccccc2)c2ccccc2)CC1 ZINC000574928283 823862030 /nfs/dbraw/zinc/86/20/30/823862030.db2.gz PJUHSYNMZHKJOF-FGZHOGPDSA-N 1 0 379.504 4.163 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)c2cc(C(F)(F)F)ccc2F)c(F)c1 ZINC000413901251 823862732 /nfs/dbraw/zinc/86/27/32/823862732.db2.gz MOFOIHHDDZVMEH-UHFFFAOYSA-N 1 0 388.336 4.176 20 0 GIADRO NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2NCc2ccc(-c3ccccc3)o2)C1 ZINC000126421936 823862836 /nfs/dbraw/zinc/86/28/36/823862836.db2.gz HJJXGYXZMRYQDW-FQEVSTJZSA-N 1 0 389.499 4.256 20 0 GIADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(OCc3ccc(F)cc3)c2)[C@@H]1n1cccn1 ZINC000574930290 823863080 /nfs/dbraw/zinc/86/30/80/823863080.db2.gz QNDBTQHJRDBHDH-ZLNRFVROSA-N 1 0 395.478 4.110 20 0 GIADRO CC(C)[C@H](C(=O)Nc1ccc(OCC[NH+](C)C)cc1F)c1ccc(F)cc1 ZINC000413902719 823863236 /nfs/dbraw/zinc/86/32/36/823863236.db2.gz PLBHXQIZYBSQMM-FQEVSTJZSA-N 1 0 376.447 4.284 20 0 GIADRO COc1ccc([C@@H](CO)[N@H+](C)Cc2cn(C)nc2-c2cc3ccccc3o2)cc1 ZINC000126422901 823863227 /nfs/dbraw/zinc/86/32/27/823863227.db2.gz LRUFLXFRSSNLKU-HXUWFJFHSA-N 1 0 391.471 4.007 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)[C@@H](OC(C)(C)C)c2ccccc2)c(F)c1 ZINC000413902965 823863602 /nfs/dbraw/zinc/86/36/02/823863602.db2.gz PUDLEWRYTRKHAK-FQEVSTJZSA-N 1 0 388.483 4.261 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)c2cccc(C(F)(F)F)c2F)c(F)c1 ZINC000413904421 823863654 /nfs/dbraw/zinc/86/36/54/823863654.db2.gz TUDCMAMZHKMQHI-UHFFFAOYSA-N 1 0 388.336 4.176 20 0 GIADRO CC[C@@H](CNC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000413905908 823863995 /nfs/dbraw/zinc/86/39/95/823863995.db2.gz JRDUYZYPKKAIAX-SJLPKXTDSA-N 1 0 385.474 4.129 20 0 GIADRO Cc1ccc(S[C@H](C)C(=O)Nc2ccc(OCC[NH+](C)C)cc2F)cc1 ZINC000413905684 823864113 /nfs/dbraw/zinc/86/41/13/823864113.db2.gz XFSYDTZZRXQRNW-OAHLLOKOSA-N 1 0 376.497 4.194 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)C(=O)Nc1ccccc1Cl ZINC000192111889 823864081 /nfs/dbraw/zinc/86/40/81/823864081.db2.gz ZJRDDQBFFKTWAE-UZCIPKQKSA-N 1 0 380.822 4.065 20 0 GIADRO C[C@H](NC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1)c1cccc(F)c1F ZINC000165840042 823864252 /nfs/dbraw/zinc/86/42/52/823864252.db2.gz UGWHDLFMIBEQBS-IKGGRYGDSA-N 1 0 379.495 4.322 20 0 GIADRO Cc1onc(-c2ccccc2C)c1C(=O)Nc1ccc(OCC[NH+](C)C)cc1F ZINC000413912240 823864507 /nfs/dbraw/zinc/86/45/07/823864507.db2.gz IQHJFZDZQBLXIK-UHFFFAOYSA-N 1 0 397.450 4.290 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(OCc2ccccn2)cc1)c1ccc([S@](C)=O)cc1 ZINC000165869404 823864675 /nfs/dbraw/zinc/86/46/75/823864675.db2.gz UFYKCWPYBKJMJN-CBZJRKILSA-N 1 0 380.513 4.249 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(OCc2ccccn2)cc1)c1ccc([S@@](C)=O)cc1 ZINC000165869661 823864727 /nfs/dbraw/zinc/86/47/27/823864727.db2.gz UFYKCWPYBKJMJN-SOKVYYICSA-N 1 0 380.513 4.249 20 0 GIADRO Cc1cc(C)n(-c2cccc(NC(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)c2)n1 ZINC000126430539 823865248 /nfs/dbraw/zinc/86/52/48/823865248.db2.gz DVYMXGFCHSCKRY-FQEVSTJZSA-N 1 0 393.491 4.041 20 0 GIADRO O=C(Nc1cc(Br)ccc1O)c1cccc(C[NH+]2CCCC2)c1 ZINC000126436099 823866328 /nfs/dbraw/zinc/86/63/28/823866328.db2.gz WMKSYYJPXUENPU-UHFFFAOYSA-N 1 0 375.266 4.003 20 0 GIADRO CC(C)[N@H+](C)CC(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)c(Cl)c1 ZINC000126436666 823867025 /nfs/dbraw/zinc/86/70/25/823867025.db2.gz YNGJKEZODMZURH-UHFFFAOYSA-N 1 0 379.932 4.023 20 0 GIADRO COc1cccc(C[NH2+][C@@H]2CCCOc3c(Br)cccc32)c1OC ZINC000165955514 823867041 /nfs/dbraw/zinc/86/70/41/823867041.db2.gz GNQAWFGBSSQQDE-MRXNPFEDSA-N 1 0 392.293 4.470 20 0 GIADRO CCn1c(C[NH2+][C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)nc2c1cccc2F ZINC000192121916 823867044 /nfs/dbraw/zinc/86/70/44/823867044.db2.gz YDJGUDWMOTWAQU-OXJNMPFZSA-N 1 0 375.394 4.093 20 0 GIADRO Fc1ccc([C@@H]2OCC[C@H]2[NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)cc1F ZINC000192121895 823867122 /nfs/dbraw/zinc/86/71/22/823867122.db2.gz QNEVQIIYUZHRQG-OFNKIYASSA-N 1 0 395.453 4.259 20 0 GIADRO Cc1cccc([C@H]2CCCN2C(=O)NCC2CC[NH+](Cc3cccs3)CC2)n1 ZINC000165981554 823867366 /nfs/dbraw/zinc/86/73/66/823867366.db2.gz RLOXAQBXBDHMHX-OAQYLSRUSA-N 1 0 398.576 4.210 20 0 GIADRO NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCC[C@H]2c2cccc3ccccc32)cc1 ZINC000165988039 823868070 /nfs/dbraw/zinc/86/80/70/823868070.db2.gz PUMVMOKTCYMYPE-QFIPXVFZSA-N 1 0 387.483 4.104 20 0 GIADRO Cc1nc(C(F)(F)F)sc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000462202105 823868206 /nfs/dbraw/zinc/86/82/06/823868206.db2.gz LISWLCHFRGMFJO-DOMZBBRYSA-N 1 0 397.466 4.111 20 0 GIADRO COC[C@@]1(C[NH2+][C@@H]2CCCSc3ccc(OC)cc32)OCCc2ccccc21 ZINC000574946380 823868413 /nfs/dbraw/zinc/86/84/13/823868413.db2.gz FEUCGPSRBRWLAM-FYYLOGMGSA-N 1 0 399.556 4.326 20 0 GIADRO Cc1nc(C(F)(F)F)sc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000462202272 823868486 /nfs/dbraw/zinc/86/84/86/823868486.db2.gz GLPIVFYYAITAGN-SWLSCSKDSA-N 1 0 397.466 4.253 20 0 GIADRO COc1ccc([C@@H](C)CC[NH2+][C@H](C)CC(=O)Nc2cccnc2Cl)cc1 ZINC000166057948 823869017 /nfs/dbraw/zinc/86/90/17/823869017.db2.gz PVAFQTATGUXULB-LSDHHAIUSA-N 1 0 375.900 4.244 20 0 GIADRO COC(=O)Nc1ccc(NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)cc1F ZINC000166066305 823869065 /nfs/dbraw/zinc/86/90/65/823869065.db2.gz CCYHELZNORUAKY-UHFFFAOYSA-N 1 0 399.466 4.245 20 0 GIADRO CCN(CC)C(=O)c1ccc(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)cc1 ZINC000166085932 823869466 /nfs/dbraw/zinc/86/94/66/823869466.db2.gz JOVKBNRNIOPADK-REWPJTCUSA-N 1 0 380.532 4.426 20 0 GIADRO CCOc1ccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c(C(F)(F)F)c1 ZINC000166081828 823869636 /nfs/dbraw/zinc/86/96/36/823869636.db2.gz PTGNKWQQUGIKMY-DYVFJYSZSA-N 1 0 385.430 4.052 20 0 GIADRO c1ccc(CCN2CCC([NH2+][C@H](C[C@H]3CCOC3)c3ccccc3)CC2)cc1 ZINC000166137289 823870535 /nfs/dbraw/zinc/87/05/35/823870535.db2.gz IWXVGEFTBSYSFK-RCZVLFRGSA-N 1 0 378.560 4.451 20 0 GIADRO COc1ccc(OC)c([C@@H](C)[NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)c1 ZINC000166156846 823871100 /nfs/dbraw/zinc/87/11/00/823871100.db2.gz NPHXPDXGPYUORM-OAHLLOKOSA-N 1 0 390.474 4.297 20 0 GIADRO Cc1noc(C)c1CCC[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000166155806 823871155 /nfs/dbraw/zinc/87/11/55/823871155.db2.gz CZWZBNGFLQDHGL-QGZVFWFLSA-N 1 0 379.298 4.490 20 0 GIADRO O=C1CCCN1C[C@@H]([NH2+]Cc1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC000126453239 823871580 /nfs/dbraw/zinc/87/15/80/823871580.db2.gz KJGGMSKQGAJDNZ-GOSISDBHSA-N 1 0 378.394 4.039 20 0 GIADRO C[C@H]([NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1)c1ccc(-n2ccnc2)cc1 ZINC000166177773 823871728 /nfs/dbraw/zinc/87/17/28/823871728.db2.gz GRSMMKZPZBAAIC-KRWDZBQOSA-N 1 0 396.485 4.466 20 0 GIADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)COc2ccc(Cl)cc2Cl)C1 ZINC000064725836 823872403 /nfs/dbraw/zinc/87/24/03/823872403.db2.gz DJMVTUOYTQTTDH-IJEWVQPXSA-N 1 0 385.335 4.236 20 0 GIADRO Cc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1ccc(OCC(=O)NC3CC3)cc1)CCC2 ZINC000166209366 823872742 /nfs/dbraw/zinc/87/27/42/823872742.db2.gz OTVXTBOBYVDPBE-HXOBKFHXSA-N 1 0 378.516 4.381 20 0 GIADRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)c1sc(C(F)(F)F)nc1C ZINC000462209084 823872805 /nfs/dbraw/zinc/87/28/05/823872805.db2.gz CKDOZRRXUWEAAA-STQMWFEESA-N 1 0 377.476 4.101 20 0 GIADRO CC(C)[C@H]1C[N@H+](C)CCN1c1nc(-c2cccnc2)nc2sc3c(c21)CCC3 ZINC000574961904 823872960 /nfs/dbraw/zinc/87/29/60/823872960.db2.gz NVMXRQAGESMRGS-QGZVFWFLSA-N 1 0 393.560 4.018 20 0 GIADRO Cc1ccc([C@H](C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)N2CCOCC2)cc1 ZINC000166235593 823873321 /nfs/dbraw/zinc/87/33/21/823873321.db2.gz CWULIGBOGFRCAJ-TUSQITKMSA-N 1 0 394.559 4.126 20 0 GIADRO COc1ccc2nc(C)c(C(=O)N3CCC[C@@H]([N@H+]4[C@H](C)CC[C@@H]4C)C3)cc2c1 ZINC000064735264 823875370 /nfs/dbraw/zinc/87/53/70/823875370.db2.gz YWEWVXAVELXLDT-JTDSTZFVSA-N 1 0 381.520 4.029 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ccc(C(F)F)cc1 ZINC000462219922 823878399 /nfs/dbraw/zinc/87/83/99/823878399.db2.gz BQWSCTGUIKVVMZ-UZLBHIALSA-N 1 0 387.474 4.334 20 0 GIADRO COC(=O)CCn1nc(C)c(C[N@H+]2CC=C(c3ccc(Cl)cc3)CC2)c1C ZINC000126475432 823878441 /nfs/dbraw/zinc/87/84/41/823878441.db2.gz YCNJSZFMJBCNOO-UHFFFAOYSA-N 1 0 387.911 4.006 20 0 GIADRO Cn1cc(N2CCC[C@H]([NH2+][C@@H]3CCCc4nc(-c5ccccc5)sc43)C2)cn1 ZINC000166484303 823878550 /nfs/dbraw/zinc/87/85/50/823878550.db2.gz WAPMLXTXGJUYPE-PKOBYXMFSA-N 1 0 393.560 4.180 20 0 GIADRO Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+][C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000166485812 823878663 /nfs/dbraw/zinc/87/86/63/823878663.db2.gz WADIKMKTOLUZDX-GOEBONIOSA-N 1 0 399.539 4.311 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)[C@@H](C)CSc1ccccc1 ZINC000413962398 823878834 /nfs/dbraw/zinc/87/88/34/823878834.db2.gz SOJMVVLSZWDCNA-INIZCTEOSA-N 1 0 388.533 4.003 20 0 GIADRO O[C@H]1Cc2ccccc2[C@H]1[NH2+][C@@H]1CCSc2ccc(Br)cc21 ZINC000166612386 823880175 /nfs/dbraw/zinc/88/01/75/823880175.db2.gz PEIKBSKQWARCNM-SOLBZPMBSA-N 1 0 376.319 4.234 20 0 GIADRO COc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@H]2c4ccccc4C[C@@H]2O)CCC3)cc1 ZINC000166614660 823880194 /nfs/dbraw/zinc/88/01/94/823880194.db2.gz XSRYLSJYDUBGSB-GIVPXCGWSA-N 1 0 392.524 4.444 20 0 GIADRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+][C@@H]3c4ccccc4C[C@@H]3O)s2)cc1 ZINC000166626895 823880209 /nfs/dbraw/zinc/88/02/09/823880209.db2.gz XSAXYAVTIPDYAY-CAYVGHNUSA-N 1 0 380.513 4.436 20 0 GIADRO O=C(c1ccccc1)N1CCC(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000166660504 823880654 /nfs/dbraw/zinc/88/06/54/823880654.db2.gz RQTJKQWMLYPYPR-URXFXBBRSA-N 1 0 392.543 4.296 20 0 GIADRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1cc(Cl)c(Cl)[nH]1 ZINC000126484683 823880867 /nfs/dbraw/zinc/88/08/67/823880867.db2.gz IBPNOQCZKKOVAA-UHFFFAOYSA-N 1 0 384.332 4.431 20 0 GIADRO CC(=O)N(c1nc(CN2CC[NH+](C3CCCCC3)CC2)cs1)c1ccccc1 ZINC000166686289 823881219 /nfs/dbraw/zinc/88/12/19/823881219.db2.gz DBQBBKLWHJIYBJ-UHFFFAOYSA-N 1 0 398.576 4.278 20 0 GIADRO COc1ccc([C@@H]([NH2+][C@H]2CCc3nc[nH]c3C2)C(C)C)c(Br)c1 ZINC000574995009 823882170 /nfs/dbraw/zinc/88/21/70/823882170.db2.gz SLUSAWIBGXJZOI-SGTLLEGYSA-N 1 0 378.314 4.025 20 0 GIADRO COc1ccc(CC[NH2+]Cc2ccnn2-c2ccccc2C)c(Cl)c1OC ZINC000575005936 823885126 /nfs/dbraw/zinc/88/51/26/823885126.db2.gz CGXIWSFXHJWSPS-UHFFFAOYSA-N 1 0 385.895 4.184 20 0 GIADRO O[C@H](C[NH2+][C@H]1CCCOc2ccc(F)cc21)CO[C@@H]1CCCc2ccccc21 ZINC000575009844 823886372 /nfs/dbraw/zinc/88/63/72/823886372.db2.gz TWFPWPYWLZUPNZ-BVYCBKJFSA-N 1 0 385.479 4.084 20 0 GIADRO CCOCCOc1cc(C)ccc1C[NH2+][C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000167152106 823886970 /nfs/dbraw/zinc/88/69/70/823886970.db2.gz KKAJAYDAZOXFQW-LJQANCHMSA-N 1 0 379.504 4.447 20 0 GIADRO CCOCCOc1cc(C)ccc1C[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000167149443 823886988 /nfs/dbraw/zinc/88/69/88/823886988.db2.gz PKCDQGKOMTYATO-IBGZPJMESA-N 1 0 396.531 4.388 20 0 GIADRO CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@H]2c2cccc3ccccc32)o1 ZINC000064792039 823887235 /nfs/dbraw/zinc/88/72/35/823887235.db2.gz JBPGRVPQSVPRAT-HXUWFJFHSA-N 1 0 384.501 4.020 20 0 GIADRO COCc1cc([C@@H](C)[NH2+]Cc2ccc(C)cc2OC[C@@H]2CCOC2)ccc1OC ZINC000167202722 823888782 /nfs/dbraw/zinc/88/87/82/823888782.db2.gz AHERMLIJNHDENO-RTBURBONSA-N 1 0 399.531 4.416 20 0 GIADRO Cc1c([C@@H](C)[NH2+]CCc2nnc3n2CCCCC3)cnn1-c1cccc(Cl)c1 ZINC000126525221 823890291 /nfs/dbraw/zinc/89/02/91/823890291.db2.gz VOKBJKPOUZKCPH-OAHLLOKOSA-N 1 0 398.942 4.045 20 0 GIADRO C[C@@H]([NH2+]CCc1nnc2n1CCCCC2)c1ccc(SCC(F)F)cc1 ZINC000126529314 823891492 /nfs/dbraw/zinc/89/14/92/823891492.db2.gz GBCBSQDDGCGPKM-CQSZACIVSA-N 1 0 380.508 4.255 20 0 GIADRO CC(C)=CCOc1cccc(C(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000126534985 823892848 /nfs/dbraw/zinc/89/28/48/823892848.db2.gz TZKSYKDXGCGTFA-UHFFFAOYSA-N 1 0 393.531 4.415 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1cccc(COCC2CC2)c1 ZINC000462244952 823893639 /nfs/dbraw/zinc/89/36/39/823893639.db2.gz INRPLMVKQQXXQA-FDDCHVKYSA-N 1 0 393.531 4.255 20 0 GIADRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@H]2CCC[C@H]2Cc2ccccc2)s1 ZINC000575031186 823893763 /nfs/dbraw/zinc/89/37/63/823893763.db2.gz OXTIWFFLPWPVMG-FZCLSBEQSA-N 1 0 386.565 4.065 20 0 GIADRO COCCOc1cc(C)ccc1C[NH2+][C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000167650146 823893991 /nfs/dbraw/zinc/89/39/91/823893991.db2.gz NUCNTTKKSDQBOY-IBGZPJMESA-N 1 0 379.504 4.116 20 0 GIADRO COc1ccc([C@H](C)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)cc1NC(C)=O ZINC000167869684 823897085 /nfs/dbraw/zinc/89/70/85/823897085.db2.gz NVKMLIJZSRAJIO-DLBZAZTESA-N 1 0 383.536 4.434 20 0 GIADRO Cc1ccc([C@H](OC[C@@H](O)C[NH2+]C[C@H](C)c2nccs2)c2ccccc2)cc1 ZINC000575040704 823897660 /nfs/dbraw/zinc/89/76/60/823897660.db2.gz GUKSONNMUCSLIL-YUXAGFNASA-N 1 0 396.556 4.312 20 0 GIADRO CC(C)OCCN1CCC([NH2+]Cc2ccc(Br)c(Cl)c2)CC1 ZINC000192195290 823898189 /nfs/dbraw/zinc/89/81/89/823898189.db2.gz AREXAQLNAAZDDH-UHFFFAOYSA-N 1 0 389.765 4.082 20 0 GIADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000126561167 823899096 /nfs/dbraw/zinc/89/90/96/823899096.db2.gz UUBYQUXKLQNAAH-CQSZACIVSA-N 1 0 382.335 4.152 20 0 GIADRO O=C(CN[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)Nc1ccc(Cl)cc1 ZINC000575044870 823899072 /nfs/dbraw/zinc/89/90/72/823899072.db2.gz AMYYJPQKBYOAOD-HXUWFJFHSA-N 1 0 383.923 4.065 20 0 GIADRO CS(=O)(=O)Cc1cccc(C[NH2+][C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)c1 ZINC000414062578 823899073 /nfs/dbraw/zinc/89/90/73/823899073.db2.gz BWJZRJHPLVREIC-UYAOXDASSA-N 1 0 377.937 4.311 20 0 GIADRO COc1ccc(C[C@@H](C)[NH2+][C@H](C)c2cccc(OCc3ccccn3)c2)cn1 ZINC000414063621 823899206 /nfs/dbraw/zinc/89/92/06/823899206.db2.gz DYXQCOTWAYLWHZ-QZTJIDSGSA-N 1 0 377.488 4.346 20 0 GIADRO COC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000168117188 823900091 /nfs/dbraw/zinc/90/00/91/823900091.db2.gz WCKBCDVGYOYSPQ-MBSDFSHPSA-N 1 0 389.499 4.242 20 0 GIADRO CN1CCC[C@H](C[NH2+]C[C@@H](O)Cc2ccc3ccccc3c2)[C@H]1c1cccs1 ZINC000575053508 823900764 /nfs/dbraw/zinc/90/07/64/823900764.db2.gz ODPLAAZJQLOHNJ-GPXNEJASSA-N 1 0 394.584 4.477 20 0 GIADRO Cc1noc(C)c1[C@@H](C)[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000168161702 823900857 /nfs/dbraw/zinc/90/08/57/823900857.db2.gz JOWJBUJCWOZCJF-GHMZBOCLSA-N 1 0 380.286 4.122 20 0 GIADRO CN1CCC[C@H](C[NH2+]C[C@H](O)Cc2ccc3ccccc3c2)[C@H]1c1cccs1 ZINC000575053505 823900875 /nfs/dbraw/zinc/90/08/75/823900875.db2.gz ODPLAAZJQLOHNJ-AKFKNWHVSA-N 1 0 394.584 4.477 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@H]2CCN(c3ncccc3F)C2)ccc1SC(F)F ZINC000168216293 823901642 /nfs/dbraw/zinc/90/16/42/823901642.db2.gz BBAPPSZNVOXCGR-OCCSQVGLSA-N 1 0 397.466 4.474 20 0 GIADRO COC(=O)c1cnc([C@H](C)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)s1 ZINC000414075790 823902530 /nfs/dbraw/zinc/90/25/30/823902530.db2.gz XVHZUWLRARZDFV-CVEARBPZSA-N 1 0 387.549 4.155 20 0 GIADRO Cc1nc(-c2ccccc2F)sc1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000575064338 823902593 /nfs/dbraw/zinc/90/25/93/823902593.db2.gz ZJMXJXMJKCRCQA-UHFFFAOYSA-N 1 0 387.524 4.394 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC000462259037 823902578 /nfs/dbraw/zinc/90/25/78/823902578.db2.gz MNSSUCUIGBJPAY-QRWLVFNGSA-N 1 0 390.487 4.347 20 0 GIADRO O=c1[nH]c(CN[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)nc2cc(Cl)ccc21 ZINC000575065822 823902702 /nfs/dbraw/zinc/90/27/02/823902702.db2.gz FNSDNIBYSPIHLI-QAPCUYQASA-N 1 0 390.270 4.262 20 0 GIADRO CN1CC[C@H]([NH2+]Cc2nc(C(F)(F)F)cs2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000575067691 823903271 /nfs/dbraw/zinc/90/32/71/823903271.db2.gz CQASRNPQYZWMTK-WFASDCNBSA-N 1 0 393.837 4.489 20 0 GIADRO COCCOc1ccc([C@@H](C)[NH2+][C@H](C)c2cc(OC)c(OC)cc2F)cc1 ZINC000168557322 823903662 /nfs/dbraw/zinc/90/36/62/823903662.db2.gz TZTHNAQXIOFARF-HUUCEWRRSA-N 1 0 377.456 4.280 20 0 GIADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](c2ccccc2)c2cccc(F)c2)cc1 ZINC000168561595 823903701 /nfs/dbraw/zinc/90/37/01/823903701.db2.gz MYIQFFBZXUGCNV-ZHRRBRCNSA-N 1 0 398.503 4.174 20 0 GIADRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000575074922 823905060 /nfs/dbraw/zinc/90/50/60/823905060.db2.gz OILUSPLWZZHXKI-MSOLQXFVSA-N 1 0 395.469 4.025 20 0 GIADRO Nc1cc2ccccc2cc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000168786669 823906160 /nfs/dbraw/zinc/90/61/60/823906160.db2.gz DKTCKJIAWPCSDJ-FRIKZZABSA-N 1 0 385.511 4.347 20 0 GIADRO COc1ccc(C2(C[NH2+]C3CCN(CC(F)F)CC3)CCCCC2)cc1OC ZINC000168879528 823906780 /nfs/dbraw/zinc/90/67/80/823906780.db2.gz HUEAIALPEUDGEG-UHFFFAOYSA-N 1 0 396.522 4.225 20 0 GIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=S)NCCSc2ccccc2)C1 ZINC000064894655 823906926 /nfs/dbraw/zinc/90/69/26/823906926.db2.gz DIRLGESMTIWQTA-HKUYNNGSSA-N 1 0 385.602 4.078 20 0 GIADRO CC(C)OCc1ccc(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000462269174 823907407 /nfs/dbraw/zinc/90/74/07/823907407.db2.gz RRCNGFUKRDZGOS-AVRDEDQJSA-N 1 0 381.520 4.254 20 0 GIADRO COc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)cc1OCc1cccnc1 ZINC000168984770 823907550 /nfs/dbraw/zinc/90/75/50/823907550.db2.gz VAWPHXVGDMAIIE-PTUXOGIPSA-N 1 0 394.515 4.107 20 0 GIADRO C[C@H](CC[S@@](C)=O)[NH2+][C@@H](c1ccccc1)c1cccc(Br)c1 ZINC000414093432 823907622 /nfs/dbraw/zinc/90/76/22/823907622.db2.gz NZEZKVMMCSKYMT-JVJLVOBOSA-N 1 0 380.351 4.285 20 0 GIADRO COc1cc(C[NH2+][C@H](C)[C@H]2COc3ccccc32)ccc1OCc1ccncc1 ZINC000169105033 823908773 /nfs/dbraw/zinc/90/87/73/823908773.db2.gz BTIHPAPQXJPDIV-DYESRHJHSA-N 1 0 390.483 4.324 20 0 GIADRO COc1c(Br)cc(C[NH2+][C@@H]2CC[C@@H](F)C2)cc1Br ZINC000575089724 823909006 /nfs/dbraw/zinc/90/90/06/823909006.db2.gz WWIKEODLQFWZOT-NXEZZACHSA-N 1 0 381.083 4.200 20 0 GIADRO COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)cn1 ZINC000414099638 823909300 /nfs/dbraw/zinc/90/93/00/823909300.db2.gz KSVLVYUOKNUJKB-OXTHUFEASA-N 1 0 391.918 4.096 20 0 GIADRO CCc1nn(C)c(CC)c1C[NH2+]Cc1c(C)nn(Cc2ccc(Cl)cc2)c1C ZINC000169248673 823910014 /nfs/dbraw/zinc/91/00/14/823910014.db2.gz GVFCMMQKMLQAQV-UHFFFAOYSA-N 1 0 399.970 4.350 20 0 GIADRO CC(C)N1CC[C@@H]([NH2+][C@@H](C)c2cc3n(n2)CCC3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000414101152 823910185 /nfs/dbraw/zinc/91/01/85/823910185.db2.gz SSQHRJPGDXURTB-UQIDSAAFSA-N 1 0 390.934 4.496 20 0 GIADRO COc1c(CNC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)oc2ccccc21 ZINC000575094458 823910600 /nfs/dbraw/zinc/91/06/00/823910600.db2.gz XIDLARLRNIVEMV-GOSISDBHSA-N 1 0 379.460 4.312 20 0 GIADRO C[C@H](NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1csc(-c2ccccc2)n1 ZINC000414109618 823911642 /nfs/dbraw/zinc/91/16/42/823911642.db2.gz HMDMDVOKURQJQY-FDDCHVKYSA-N 1 0 393.556 4.098 20 0 GIADRO COC(=O)c1cnc([C@H](C)NCc2ccccc2C[N@H+](C)Cc2ccco2)s1 ZINC000414113101 823912521 /nfs/dbraw/zinc/91/25/21/823912521.db2.gz KCHZJLUGCCOBQZ-HNNXBMFYSA-N 1 0 399.516 4.006 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H](c3ccccc3)n3cccn3)cc2)C1 ZINC000064918138 823912535 /nfs/dbraw/zinc/91/25/35/823912535.db2.gz WQLJNUDHBDDFAV-XXBNENTESA-N 1 0 388.515 4.343 20 0 GIADRO Brc1cccc([C@H]([NH2+][C@H]2CCc3nc[nH]c3C2)c2ccccc2)c1 ZINC000414114240 823912756 /nfs/dbraw/zinc/91/27/56/823912756.db2.gz AIJPTEUHXFRNLK-FXAWDEMLSA-N 1 0 382.305 4.409 20 0 GIADRO CC(C)CS(=O)(=O)N1CCC([NH2+][C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000414114375 823912895 /nfs/dbraw/zinc/91/28/95/823912895.db2.gz SZBJKWLNRYVVOG-YLJYHZDGSA-N 1 0 399.000 4.016 20 0 GIADRO Brc1cccc([C@@H]([NH2+][C@H]2CCc3nc[nH]c3C2)c2ccccc2)c1 ZINC000414114243 823913092 /nfs/dbraw/zinc/91/30/92/823913092.db2.gz AIJPTEUHXFRNLK-PXNSSMCTSA-N 1 0 382.305 4.409 20 0 GIADRO COC(=O)c1cnc([C@@H](C)[NH2+]CC2(c3ccccc3Br)CC2)s1 ZINC000414122970 823914340 /nfs/dbraw/zinc/91/43/40/823914340.db2.gz OCIBQZRWCZXDIL-LLVKDONJSA-N 1 0 395.322 4.075 20 0 GIADRO CC(C)(C)O[C@@H]1C[C@@H]([NH2+]Cc2cccc(COC3CCOCC3)c2)C1(C)C ZINC000414130310 823916005 /nfs/dbraw/zinc/91/60/05/823916005.db2.gz WHUJAHZVOKBGMQ-NHCUHLMSSA-N 1 0 375.553 4.454 20 0 GIADRO CC[NH+]1CCC(CNC(=O)Nc2ccc(OC(F)F)c(C(F)(F)F)c2)CC1 ZINC000575115988 823916030 /nfs/dbraw/zinc/91/60/30/823916030.db2.gz BBWNPVWSHISHJW-UHFFFAOYSA-N 1 0 395.372 4.160 20 0 GIADRO C[C@H](NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)c1ccn(C)n1 ZINC000414130824 823916642 /nfs/dbraw/zinc/91/66/42/823916642.db2.gz WXWYYFMASBNFAO-QOKNQOGYSA-N 1 0 380.458 4.173 20 0 GIADRO O=C(NC1CC[NH+](CCOc2cccc3ccccc32)CC1)c1ccsc1 ZINC000064954286 823917728 /nfs/dbraw/zinc/91/77/28/823917728.db2.gz VFZBOFPMWHUKJM-UHFFFAOYSA-N 1 0 380.513 4.175 20 0 GIADRO CC(C)c1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1 ZINC000462306242 823919125 /nfs/dbraw/zinc/91/91/25/823919125.db2.gz QEMDIIGSEHNIRO-PXNSSMCTSA-N 1 0 392.590 4.233 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1cncc(F)c1)c1ccc(F)c(I)c1 ZINC000414153171 823919484 /nfs/dbraw/zinc/91/94/84/823919484.db2.gz YQYIQJRRXYAIBK-UWVGGRQHSA-N 1 0 388.199 4.376 20 0 GIADRO Cc1c(Cl)cccc1S(=O)(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000462307845 823919597 /nfs/dbraw/zinc/91/95/97/823919597.db2.gz YIKUPRAOLJZHKH-KDOFPFPSSA-N 1 0 398.981 4.071 20 0 GIADRO Clc1ccc([C@H](C[NH2+]Cc2cccc3cccnc32)N2CCOCC2)cc1 ZINC000126650948 823919782 /nfs/dbraw/zinc/91/97/82/823919782.db2.gz FJAQESPTJHHKAI-NRFANRHFSA-N 1 0 381.907 4.051 20 0 GIADRO CC(C)CCOc1ccccc1CNC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000575139390 823921080 /nfs/dbraw/zinc/92/10/80/823921080.db2.gz JUHWARCATPCSHQ-JOCHJYFZSA-N 1 0 395.547 4.035 20 0 GIADRO CC(C)[N@H+](CC(=O)NCC(F)(F)F)Cc1ccc(-c2ccccc2F)s1 ZINC000064988274 823922090 /nfs/dbraw/zinc/92/20/90/823922090.db2.gz LYGUMSNYTOMLLY-UHFFFAOYSA-N 1 0 388.430 4.443 20 0 GIADRO COc1ccc([C@H](CO)C[NH2+][C@@H](C)c2ccc(Br)cc2F)cc1 ZINC000414172536 823922635 /nfs/dbraw/zinc/92/26/35/823922635.db2.gz FKXDFDLFHMGJEI-JSGCOSHPSA-N 1 0 382.273 4.024 20 0 GIADRO C[C@@H]1CCN(C(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CCS1 ZINC000192266032 823922673 /nfs/dbraw/zinc/92/26/73/823922673.db2.gz YZYUBIPQISAYAO-QIIPPGSGSA-N 1 0 399.963 4.009 20 0 GIADRO C[C@@H](c1nnc(-c2cccs2)o1)N1CCC2(CC1)OCCc1ccccc12 ZINC000575147482 823923521 /nfs/dbraw/zinc/92/35/21/823923521.db2.gz FTPCZSXPPDCJON-HNNXBMFYSA-N 1 0 381.501 4.423 20 0 GIADRO Cc1[nH]c2ccc(C[NH2+]Cc3ccccc3OCC(=O)N3CCCC3)cc2c1C ZINC000065013589 823924346 /nfs/dbraw/zinc/92/43/46/823924346.db2.gz NKEGIOUXUVVQNI-UHFFFAOYSA-N 1 0 391.515 4.076 20 0 GIADRO C[N@@H+]1CCCN(C(=O)N[C@H](Cc2ccccc2C(F)(F)F)C(C)(C)C)CC1 ZINC000462324743 823924656 /nfs/dbraw/zinc/92/46/56/823924656.db2.gz FVBOGTBLRUOGIH-QGZVFWFLSA-N 1 0 385.474 4.010 20 0 GIADRO COc1ccc([C@H](CO)C[NH2+][C@@H](C)c2ccc(Br)c(F)c2)cc1 ZINC000414187637 823925060 /nfs/dbraw/zinc/92/50/60/823925060.db2.gz QFLXXGSRGWFLII-WFASDCNBSA-N 1 0 382.273 4.024 20 0 GIADRO Cc1ccc(Oc2ccccc2CC[NH2+][C@@H](C)C2CCS(=O)(=O)CC2)cc1 ZINC000414195144 823926033 /nfs/dbraw/zinc/92/60/33/823926033.db2.gz NRTPHZPWDMHIFS-SFHVURJKSA-N 1 0 387.545 4.133 20 0 GIADRO CC1(C)Oc2ccsc2[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@@H]1O ZINC000414194550 823926065 /nfs/dbraw/zinc/92/60/65/823926065.db2.gz WIPOQHJGLLTSHH-AGLNEOCTSA-N 1 0 398.572 4.106 20 0 GIADRO COc1cccc(CN(CC[NH+](C)C)C(=O)Nc2ccccc2OCC2CC2)c1 ZINC000192274131 823927401 /nfs/dbraw/zinc/92/74/01/823927401.db2.gz SAHSYRJTCNHRGR-UHFFFAOYSA-N 1 0 397.519 4.080 20 0 GIADRO Cc1[nH]c2ccc(CNC(=O)NCc3ccccc3C[NH+]3CCCC3)cc2c1C ZINC000065031597 823927588 /nfs/dbraw/zinc/92/75/88/823927588.db2.gz OAKDGDVMQUVVCF-UHFFFAOYSA-N 1 0 390.531 4.380 20 0 GIADRO Cc1cc(N2CCSCC2)ccc1NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000065035239 823928078 /nfs/dbraw/zinc/92/80/78/823928078.db2.gz NAWWEAQYPQFBFU-UHFFFAOYSA-N 1 0 395.572 4.396 20 0 GIADRO C[C@H](Cc1ccccc1)n1cccc1-c1nc([C@H]2C[N@@H+]3CCC[C@]3(C)CO2)no1 ZINC000575162920 823928328 /nfs/dbraw/zinc/92/83/28/823928328.db2.gz OXCCFRNKKHWIEB-HCLVMJGWSA-N 1 0 392.503 4.268 20 0 GIADRO C[C@H](N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1cccnc1Cl ZINC000126693181 823928925 /nfs/dbraw/zinc/92/89/25/823928925.db2.gz SVKALAYZBPJSFC-GJZGRUSLSA-N 1 0 376.907 4.038 20 0 GIADRO CN(C(=O)CCc1ccc(Cl)cc1Cl)C1CC[NH+](C2CCOCC2)CC1 ZINC000065040297 823928935 /nfs/dbraw/zinc/92/89/35/823928935.db2.gz AKTQJXVVYFEDRG-UHFFFAOYSA-N 1 0 399.362 4.028 20 0 GIADRO CN(C(=O)c1cc2c(s1)CCCCCC2)C1CC[NH+](C2CCOCC2)CC1 ZINC000065040609 823928962 /nfs/dbraw/zinc/92/89/62/823928962.db2.gz KZWMLQHAMFRAOG-UHFFFAOYSA-N 1 0 390.593 4.123 20 0 GIADRO Cc1cccc(OCCCCC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000126696996 823929737 /nfs/dbraw/zinc/92/97/37/823929737.db2.gz KMLGUKVJNWZEIQ-UHFFFAOYSA-N 1 0 395.547 4.314 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N1CCC(c2ccncc2)CC1 ZINC000192279278 823930442 /nfs/dbraw/zinc/93/04/42/823930442.db2.gz NDQUBMSEMKBSHN-UHFFFAOYSA-N 1 0 392.547 4.157 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H](C)CCc2ccc(OC)cc2)c1 ZINC000414214187 823930787 /nfs/dbraw/zinc/93/07/87/823930787.db2.gz VCKIRVMXBOPCOI-OAHLLOKOSA-N 1 0 395.952 4.253 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H]2CSCCc3ccccc32)c1 ZINC000414215007 823930873 /nfs/dbraw/zinc/93/08/73/823930873.db2.gz WQAPQYUYJAMVAO-LJQANCHMSA-N 1 0 395.977 4.254 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H]2c3cc(F)ccc3C[C@@H]2C)c1 ZINC000414215389 823931528 /nfs/dbraw/zinc/93/15/28/823931528.db2.gz XGVBBOMKRMGFPU-BUXKBTBVSA-N 1 0 381.900 4.296 20 0 GIADRO COc1cc(N[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c(Cl)c(OC)c1 ZINC000414223141 823932693 /nfs/dbraw/zinc/93/26/93/823932693.db2.gz PIZKYFUJAUWLQD-PBHICJAKSA-N 1 0 375.900 4.075 20 0 GIADRO C[NH+](C)CCN(C(=O)Nc1c(F)cc(F)cc1Br)C1CCCC1 ZINC000192284046 823932851 /nfs/dbraw/zinc/93/28/51/823932851.db2.gz ODZFDWXAWMBWEZ-UHFFFAOYSA-N 1 0 390.272 4.065 20 0 GIADRO CC[C@H]([NH2+][C@H](C)CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)c1ccccc1 ZINC000414226256 823933775 /nfs/dbraw/zinc/93/37/75/823933775.db2.gz UKQGOTURHJPLLY-IERDGZPVSA-N 1 0 379.504 4.493 20 0 GIADRO C[C@@H](OC[C@@H](O)C[NH2+]C1(c2nccs2)CCCC1)c1ccc(Cl)cc1 ZINC000126714250 823933888 /nfs/dbraw/zinc/93/38/88/823933888.db2.gz YBYORPUUVSEOMQ-PBHICJAKSA-N 1 0 380.941 4.294 20 0 GIADRO Cc1cc(OCCC[C@H](C)[NH2+]Cc2ccccc2S(C)(=O)=O)ccc1Cl ZINC000414231425 823934529 /nfs/dbraw/zinc/93/45/29/823934529.db2.gz CABYHMAWZSJPJH-INIZCTEOSA-N 1 0 395.952 4.389 20 0 GIADRO Cc1cc(OCCC[C@@H](C)[NH2+]Cc2ccccc2S(C)(=O)=O)ccc1Cl ZINC000414231426 823934681 /nfs/dbraw/zinc/93/46/81/823934681.db2.gz CABYHMAWZSJPJH-MRXNPFEDSA-N 1 0 395.952 4.389 20 0 GIADRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000170678390 823935302 /nfs/dbraw/zinc/93/53/02/823935302.db2.gz UJPFRZNLUQTMKN-QFIPXVFZSA-N 1 0 388.515 4.062 20 0 GIADRO CCCN(CC[NH+](CC)CC)C(=O)Nc1c(F)cc(F)cc1Br ZINC000192291366 823935832 /nfs/dbraw/zinc/93/58/32/823935832.db2.gz GKGPCXIIJWDJCN-UHFFFAOYSA-N 1 0 392.288 4.313 20 0 GIADRO Clc1cc(Br)cc(C[NH2+]C2CCN(Cc3ccncc3)CC2)c1 ZINC000414242608 823938361 /nfs/dbraw/zinc/93/83/61/823938361.db2.gz NRWPQGMZNNGQAV-UHFFFAOYSA-N 1 0 394.744 4.252 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@H]2CCCOc3c(C)cc(Cl)cc32)cn1 ZINC000414244517 823938860 /nfs/dbraw/zinc/93/88/60/823938860.db2.gz LGMAHQIMXLPYBQ-PAXLWEDBSA-N 1 0 389.927 4.446 20 0 GIADRO CC[C@@H]([NH2+]Cc1cccc(C(=O)OC)n1)c1cc(F)cc(Br)c1 ZINC000575206906 823939181 /nfs/dbraw/zinc/93/91/81/823939181.db2.gz NDXZLKNHBSGGLW-OAHLLOKOSA-N 1 0 381.245 4.011 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccn(-c2ccccc2Cl)n1 ZINC000065087170 823939411 /nfs/dbraw/zinc/93/94/11/823939411.db2.gz BSWBCWHZBJQMGF-UHFFFAOYSA-N 1 0 396.922 4.298 20 0 GIADRO C[C@H](O)C[N@H+](CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C1CCCCC1 ZINC000170691233 823940589 /nfs/dbraw/zinc/94/05/89/823940589.db2.gz MAXOBEFTCVUJMH-LBPRGKRZSA-N 1 0 392.849 4.313 20 0 GIADRO CC[C@@H](c1cccc(OC)c1)[N@H+](C)C[C@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000575213500 823941006 /nfs/dbraw/zinc/94/10/06/823941006.db2.gz FJTOEAHSWYECEL-UGKGYDQZSA-N 1 0 381.520 4.106 20 0 GIADRO C[C@H]([NH2+]C[C@H]1C[C@@H](C)O[C@@H]1C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000414251632 823941137 /nfs/dbraw/zinc/94/11/37/823941137.db2.gz ACYMJZSFUSFKML-AJYBTWMASA-N 1 0 379.504 4.377 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1cc(Cl)c(N)c(Cl)c1)c1cccc(F)c1 ZINC000192306244 823941521 /nfs/dbraw/zinc/94/15/21/823941521.db2.gz YRCGHLJHKVMIBD-OAHLLOKOSA-N 1 0 385.270 4.139 20 0 GIADRO CC(C)(CC[NH2+][C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000414252497 823941661 /nfs/dbraw/zinc/94/16/61/823941661.db2.gz HSSKRYXDSDCRAV-CVEARBPZSA-N 1 0 377.472 4.144 20 0 GIADRO O=C(c1cc(-c2cccc(Cl)c2)no1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000126750853 823941769 /nfs/dbraw/zinc/94/17/69/823941769.db2.gz UYEWESQOEYLNMU-BEFAXECRSA-N 1 0 385.895 4.084 20 0 GIADRO C[C@H](CNC(=O)c1cnc(-c2ccccc2Cl)s1)[N@@H+]1CCC[C@H](C)C1 ZINC000065101326 823941990 /nfs/dbraw/zinc/94/19/90/823941990.db2.gz DMLGOIPBDNYSJC-UONOGXRCSA-N 1 0 377.941 4.314 20 0 GIADRO CC(C)(CC[NH2+][C@@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1)S(C)(=O)=O ZINC000414254012 823942505 /nfs/dbraw/zinc/94/25/05/823942505.db2.gz IQJAJSSJASBVOG-GOEBONIOSA-N 1 0 377.472 4.144 20 0 GIADRO FC(F)(F)c1ccccc1CC[NH2+]Cc1cnc2ccc(Br)cn12 ZINC000462364994 823942718 /nfs/dbraw/zinc/94/27/18/823942718.db2.gz KDFAZUYZPIOQJS-UHFFFAOYSA-N 1 0 398.226 4.448 20 0 GIADRO C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]Cc1ccccc1S(C)(=O)=O ZINC000414256698 823943451 /nfs/dbraw/zinc/94/34/51/823943451.db2.gz OBCKBGPCBMGCLK-CQSZACIVSA-N 1 0 385.451 4.220 20 0 GIADRO C[C@@H](Cc1ccc(F)cc1Br)[NH2+]Cc1nccc(C(F)(F)F)n1 ZINC000414261105 823944893 /nfs/dbraw/zinc/94/48/93/823944893.db2.gz RDTPMLJEBOYAKI-VIFPVBQESA-N 1 0 392.194 4.118 20 0 GIADRO Cc1cc(C[NH2+]Cc2ccccc2CN2CCOCC2)ccc1C(F)(F)F ZINC000414265123 823945720 /nfs/dbraw/zinc/94/57/20/823945720.db2.gz QTVIMIBDWHDNLQ-UHFFFAOYSA-N 1 0 378.438 4.136 20 0 GIADRO Cn1cc([C@@H]2OCC[C@H]2C[NH2+][C@@H](Cc2cccnc2)c2cccc(Cl)c2)cn1 ZINC000414268212 823946870 /nfs/dbraw/zinc/94/68/70/823946870.db2.gz JOCBXSYNOKMKNM-YUXAGFNASA-N 1 0 396.922 4.120 20 0 GIADRO CC(C)c1c(NC(=O)N(CC[NH+](C)C)C2CCCC2)cnn1-c1ccccc1 ZINC000192332415 823949007 /nfs/dbraw/zinc/94/90/07/823949007.db2.gz ZHIHCDBYQJDIIW-UHFFFAOYSA-N 1 0 383.540 4.334 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)COc2ccc(C(F)(F)F)cc2)C1 ZINC000065140316 823949885 /nfs/dbraw/zinc/94/98/85/823949885.db2.gz USHKMMPGLZMJFO-QAPCUYQASA-N 1 0 392.421 4.036 20 0 GIADRO Cc1nc2ccccc2c(C)c1CC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000065140951 823950486 /nfs/dbraw/zinc/95/04/86/823950486.db2.gz GXJCUVDKFGOITC-PZJWPPBQSA-N 1 0 387.527 4.346 20 0 GIADRO Cc1cc(C(=O)CCC(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c(C)s1 ZINC000065140674 823950734 /nfs/dbraw/zinc/95/07/34/823950734.db2.gz LCVDLVSOIKCPNV-LPHOPBHVSA-N 1 0 384.545 4.280 20 0 GIADRO COc1ccc2cc(C(=O)N[C@H]3CC[N@@H+]([C@H](C)c4ccccc4)C3)c(C)nc2c1 ZINC000065140583 823951029 /nfs/dbraw/zinc/95/10/29/823951029.db2.gz KJCXXVOSPGJXBJ-XLIONFOSSA-N 1 0 389.499 4.117 20 0 GIADRO CC[C@@H](C)Oc1cc(C[NH+]2CCC(C(=O)N[C@@H](C)C(C)C)CC2)ccc1OC ZINC000126787314 823951338 /nfs/dbraw/zinc/95/13/38/823951338.db2.gz ZABBMSKHUULUJF-MSOLQXFVSA-N 1 0 390.568 4.245 20 0 GIADRO CC(C)(C)c1cc(NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)n(-c2ccc(F)cc2)n1 ZINC000170719142 823952869 /nfs/dbraw/zinc/95/28/69/823952869.db2.gz KKJDRIINMARWIB-SFHVURJKSA-N 1 0 399.514 4.011 20 0 GIADRO CCCC(=O)Nc1ccc(C[NH2+]Cc2cn(-c3cccc(F)c3)nc2C)cc1 ZINC000414295239 823953305 /nfs/dbraw/zinc/95/33/05/823953305.db2.gz XBJXRAKUZVXEFN-UHFFFAOYSA-N 1 0 380.467 4.348 20 0 GIADRO COc1ccccc1[C@@H](C[NH2+]Cc1cc(OC)c(OC)cc1F)OC(C)C ZINC000575321622 823954780 /nfs/dbraw/zinc/95/47/80/823954780.db2.gz CPUYCMMTKIKYCW-OAQYLSRUSA-N 1 0 377.456 4.107 20 0 GIADRO CCc1ncc(C(=O)N2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000575324597 823955735 /nfs/dbraw/zinc/95/57/35/823955735.db2.gz VWWQKZIPSSUIGV-OAQYLSRUSA-N 1 0 397.588 4.468 20 0 GIADRO C=CCc1cc(OCC)cc(C[N@H+]2CCC[C@H](C(=O)N[C@@H](C)CCC)C2)c1O ZINC000065188857 823958296 /nfs/dbraw/zinc/95/82/96/823958296.db2.gz GLRPMKPPYJRELA-HKUYNNGSSA-N 1 0 388.552 4.036 20 0 GIADRO CS(=O)(=O)CC1(C[NH2+][C@H](c2ccccc2)c2ccc(Cl)cc2)CCC1 ZINC000414328235 823959376 /nfs/dbraw/zinc/95/93/76/823959376.db2.gz NRDGWTZRQIDBNZ-LJQANCHMSA-N 1 0 377.937 4.234 20 0 GIADRO CCc1ncc(C[NH2+]Cc2ccc(OCCOc3ccc(Cl)cc3)cc2)cn1 ZINC000414330241 823959639 /nfs/dbraw/zinc/95/96/39/823959639.db2.gz BJUFVNYOZLFMOP-UHFFFAOYSA-N 1 0 397.906 4.440 20 0 GIADRO COc1cccc([C@@H]2C[C@H]2C[NH2+][C@H](C)c2ccc(OCc3nccn3C)cc2)c1 ZINC000414331025 823959718 /nfs/dbraw/zinc/95/97/18/823959718.db2.gz CBUCRXGOAYQEBE-MONBJTKQSA-N 1 0 391.515 4.462 20 0 GIADRO COc1cccc([C@@H]2C[C@H]2C[NH2+][C@@H](C)c2ncc(Br)cc2F)c1 ZINC000414333333 823960263 /nfs/dbraw/zinc/96/02/63/823960263.db2.gz FMIBCJIPIMVAQN-RBOXIYTFSA-N 1 0 379.273 4.446 20 0 GIADRO C[C@@H]([NH2+]CC1(CS(C)(=O)=O)CCC1)c1ccc(OCc2ccccc2)cc1 ZINC000414338636 823960740 /nfs/dbraw/zinc/96/07/40/823960740.db2.gz YRIITEAFWJPKFZ-GOSISDBHSA-N 1 0 387.545 4.131 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000126829452 823961171 /nfs/dbraw/zinc/96/11/71/823961171.db2.gz GWSZMDQSVUJHHQ-QZTJIDSGSA-N 1 0 383.458 4.125 20 0 GIADRO COc1cc(F)c(NC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2ccnc2)cc1F ZINC000126834940 823962674 /nfs/dbraw/zinc/96/26/74/823962674.db2.gz BDCUYIRIGXQGFA-UYAOXDASSA-N 1 0 398.413 4.220 20 0 GIADRO O=C(N[C@@H](c1cc2ccccc2o1)c1ccccc1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000170757997 823963324 /nfs/dbraw/zinc/96/33/24/823963324.db2.gz SFHCGMUSNXOGLK-NFBKMPQASA-N 1 0 389.499 4.402 20 0 GIADRO CC(=O)NCCc1ccc([C@H](C)[NH2+][C@@H](C)Cc2cn(C)c3ccc(F)cc23)cc1 ZINC000414355155 823963404 /nfs/dbraw/zinc/96/34/04/823963404.db2.gz YJFDGIQQQJXBQX-IRXDYDNUSA-N 1 0 395.522 4.278 20 0 GIADRO O=C(C[C@@H]1CN(Cc2ccccc2)CCO1)Nc1ccc(Cl)cc1Cl ZINC000575371347 823964374 /nfs/dbraw/zinc/96/43/74/823964374.db2.gz HFTSBIHDVUAOIJ-MRXNPFEDSA-N 1 0 379.287 4.223 20 0 GIADRO O[C@H](C[NH2+][C@@H]1CCOc2c(-c3ccccc3)cccc21)COCc1cccs1 ZINC000575377201 823965449 /nfs/dbraw/zinc/96/54/49/823965449.db2.gz HQWNNOOGTZFGJU-XMSQKQJNSA-N 1 0 395.524 4.406 20 0 GIADRO COc1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)nc1 ZINC000462417310 823967028 /nfs/dbraw/zinc/96/70/28/823967028.db2.gz VNDNYSDWWSBODJ-NZZOTNDHSA-N 1 0 399.922 4.088 20 0 GIADRO O=C(c1ccccc1)c1ccccc1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000126854458 823967360 /nfs/dbraw/zinc/96/73/60/823967360.db2.gz ONGRQEPYCVUPIG-AUSIDOKSSA-N 1 0 388.511 4.007 20 0 GIADRO COCc1cc([C@@H](C)[NH2+]C[C@H]2CCCN(Cc3cccs3)C2)ccc1OC ZINC000126858660 823968136 /nfs/dbraw/zinc/96/81/36/823968136.db2.gz ONTNDNIXOXVWQT-QZTJIDSGSA-N 1 0 388.577 4.466 20 0 GIADRO Cc1occc1C(=O)NC1CC[NH+](Cc2cnc(-c3ccccc3)s2)CC1 ZINC000170777852 823969183 /nfs/dbraw/zinc/96/91/83/823969183.db2.gz AHWUOBWSMABCMK-UHFFFAOYSA-N 1 0 381.501 4.106 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1cccc(OC2CCCC2)c1 ZINC000126883576 823973524 /nfs/dbraw/zinc/97/35/24/823973524.db2.gz FRWJUTHVXVTYJM-UHFFFAOYSA-N 1 0 393.531 4.392 20 0 GIADRO C[C@H](c1ccncc1)N(C)C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000126882326 823973610 /nfs/dbraw/zinc/97/36/10/823973610.db2.gz ZONIMDOZCCEQFD-IEBWSBKVSA-N 1 0 386.565 4.319 20 0 GIADRO CCC[C@]1(CO)CC[N@H+](Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000575504783 823974241 /nfs/dbraw/zinc/97/42/41/823974241.db2.gz NXTCSCLVTAOCMW-SFHVURJKSA-N 1 0 379.298 4.089 20 0 GIADRO CCC[C@@]1(CO)CC[N@H+](Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000575504778 823974548 /nfs/dbraw/zinc/97/45/48/823974548.db2.gz NXTCSCLVTAOCMW-GOSISDBHSA-N 1 0 379.298 4.089 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1CNc1ccc2c(c1)[nH+]c(C)n2[C@H](C)CO ZINC000575734552 823983071 /nfs/dbraw/zinc/98/30/71/823983071.db2.gz SMWKBRGJZQOVIV-GFCCVEGCSA-N 1 0 395.532 4.405 20 0 GIADRO COc1cc([C@H](C)[NH2+]CCOc2ncc(C(F)(F)F)cc2Cl)c(F)cn1 ZINC000575735973 823983541 /nfs/dbraw/zinc/98/35/41/823983541.db2.gz OFPHWVLYDUJVHA-VIFPVBQESA-N 1 0 393.768 4.026 20 0 GIADRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)Nc1cc(C(F)(F)F)ccn1 ZINC000192423625 823985811 /nfs/dbraw/zinc/98/58/11/823985811.db2.gz KEFOQOMLORBJPX-CYBMUJFWSA-N 1 0 398.454 4.196 20 0 GIADRO CC(=O)c1ccc(Oc2ccc(C(=O)Nc3cc(C[NH+](C)C)ccn3)cc2)cc1 ZINC000126966346 823990950 /nfs/dbraw/zinc/99/09/50/823990950.db2.gz HOPDIZJJZOZKNS-UHFFFAOYSA-N 1 0 389.455 4.390 20 0 GIADRO COc1cc(C[NH2+][C@H]2CC2(C)C)ccc1OCC(=O)Nc1ccccc1Cl ZINC000414483375 823992399 /nfs/dbraw/zinc/99/23/99/823992399.db2.gz IAVYKFNPPSUGTC-IBGZPJMESA-N 1 0 388.895 4.254 20 0 GIADRO CCCCOc1ccc(C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)cc1 ZINC000126972035 823992500 /nfs/dbraw/zinc/99/25/00/823992500.db2.gz VHFQLRWWKRPHOF-UHFFFAOYSA-N 1 0 396.531 4.322 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]Cc2cccc(C(F)(F)F)c2)c1 ZINC000414484845 823993068 /nfs/dbraw/zinc/99/30/68/823993068.db2.gz QOKLKVYTOUHCFQ-UHFFFAOYSA-N 1 0 391.842 4.442 20 0 GIADRO COc1cccc2c1CC[C@@H]([NH2+][C@@H](C)c1ccc(NC(=O)NC3CC3)cc1)C2 ZINC000192439390 823993510 /nfs/dbraw/zinc/99/35/10/823993510.db2.gz QBJNILYQAOEPSM-MGPUTAFESA-N 1 0 379.504 4.187 20 0 GIADRO COc1cccc2c1CC[C@@H]([NH2+]Cc1ccc(NC(=O)c3ccco3)cc1)C2 ZINC000192440554 823994010 /nfs/dbraw/zinc/99/40/10/823994010.db2.gz SGHKCKZSJKVSPA-LJQANCHMSA-N 1 0 376.456 4.188 20 0 GIADRO COC(=O)[C@@H](C)c1cccc(NC2CC[NH+]([C@H](C)Cc3ccccc3)CC2)c1 ZINC000414489546 823994289 /nfs/dbraw/zinc/99/42/89/823994289.db2.gz QCTGOMUCKFRMMP-MOPGFXCFSA-N 1 0 380.532 4.471 20 0 GIADRO CCc1nc(CN2CCC(C[NH2+][C@H]3CCc4c(cccc4OC)C3)CC2)cs1 ZINC000192442352 823994746 /nfs/dbraw/zinc/99/47/46/823994746.db2.gz DNNOOSOCTILEMD-IBGZPJMESA-N 1 0 399.604 4.073 20 0 GIADRO COc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H](C)[C@@](C)(OC)C3CC3)c2)cc1 ZINC000414497434 823995158 /nfs/dbraw/zinc/99/51/58/823995158.db2.gz FUKWNEYARPBLLN-QMHKHESXSA-N 1 0 382.504 4.241 20 0 GIADRO COC(=O)C1CCC([NH2+]C(c2cccc(OC)c2)c2cccc(OC)c2)CC1 ZINC000192444119 823995320 /nfs/dbraw/zinc/99/53/20/823995320.db2.gz OELQBZMYILZMTE-UHFFFAOYSA-N 1 0 383.488 4.115 20 0 GIADRO COc1cccc2c1CC[C@H]([NH2+][C@H](C)c1c(C)nn(CC(F)(F)F)c1C)C2 ZINC000192447559 823996346 /nfs/dbraw/zinc/99/63/46/823996346.db2.gz YJKYUOIXQZETSH-WBMJQRKESA-N 1 0 381.442 4.279 20 0 GIADRO CO[C@@](C)([C@H](C)[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1)C1CC1 ZINC000414500664 823996596 /nfs/dbraw/zinc/99/65/96/823996596.db2.gz MCRVJEWUIRVOGX-SGTLLEGYSA-N 1 0 378.314 4.132 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+]C[C@@H](C)c2cccc(Br)c2)cn1 ZINC000414504497 823996922 /nfs/dbraw/zinc/99/69/22/823996922.db2.gz ORUSONJCFVOOJV-SIXWZSSISA-N 1 0 392.341 4.136 20 0 GIADRO c1ccc(C[N@H+]2CC[C@H]3CN(Cc4cnc(-c5ccccc5)nc4)C[C@@H]3C2)cc1 ZINC000575790628 823997058 /nfs/dbraw/zinc/99/70/58/823997058.db2.gz PZPFTZLQCZTKMR-ZEQRLZLVSA-N 1 0 384.527 4.098 20 0 GIADRO O=C(NCC1CC[NH+](C2CC2)CC1)c1sc2ccccc2c1Br ZINC000575793684 823998392 /nfs/dbraw/zinc/99/83/92/823998392.db2.gz KJGAMXWXUNFYLG-UHFFFAOYSA-N 1 0 393.350 4.268 20 0 GIADRO Cc1ccc(C)c(SCC(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)c1 ZINC000127004659 823999276 /nfs/dbraw/zinc/99/92/76/823999276.db2.gz JNQVRLMOYVNNHB-UHFFFAOYSA-N 1 0 398.572 4.239 20 0 GIADRO C[C@@H]1C[C@@H](C[NH2+]Cc2csc(-c3cccc(Br)c3)n2)[C@H](C)O1 ZINC000414516151 823999955 /nfs/dbraw/zinc/99/99/55/823999955.db2.gz OMDDWOQFSUAXBH-DYEKYZERSA-N 1 0 381.339 4.476 20 0 GIADRO CCC(CC)(Cc1nc2ccccc2s1)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000575805265 824000566 /nfs/dbraw/zinc/00/05/66/824000566.db2.gz JOLZHCUOSXQGHS-OAQYLSRUSA-N 1 0 385.577 4.247 20 0 GIADRO COc1ccc([C@H](Cc2ccccc2)[NH2+]Cc2cnc3nc(C)cc(C)n23)cc1 ZINC000575808171 824000859 /nfs/dbraw/zinc/00/08/59/824000859.db2.gz LIHUBZOLNMWPAD-QHCPKHFHSA-N 1 0 386.499 4.428 20 0 GIADRO C[NH+]1CCC(CCNC(=O)NCc2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000170887558 824000918 /nfs/dbraw/zinc/00/09/18/824000918.db2.gz MBDGIQDLHYIMLB-UHFFFAOYSA-N 1 0 398.532 4.087 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)N[C@@H](c2nccs2)c2ccccc2)[NH+](C)C)cc1 ZINC000170888254 824001099 /nfs/dbraw/zinc/00/10/99/824001099.db2.gz LJURLJZLKHOFDG-WOJBJXKFSA-N 1 0 394.544 4.143 20 0 GIADRO COc1ccc(OCc2ccccn2)c(C[N@@H+]2CC3(CCOCC3)[C@H]2C(C)C)c1 ZINC000414523400 824001193 /nfs/dbraw/zinc/00/11/93/824001193.db2.gz GQEZIIKFUNAGSK-HSZRJFAPSA-N 1 0 396.531 4.306 20 0 GIADRO O=C(c1ccc(F)cc1)C1CC[NH+](Cc2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000192464587 824001228 /nfs/dbraw/zinc/00/12/28/824001228.db2.gz VTNXLELPZQNAPD-QHCPKHFHSA-N 1 0 397.490 4.478 20 0 GIADRO Cc1cccc(C2(NC(=O)NC3CC[NH+](Cc4ccncc4)CC3)CCCC2)c1 ZINC000170899592 824002619 /nfs/dbraw/zinc/00/26/19/824002619.db2.gz YUFGIAOMHFLIAQ-UHFFFAOYSA-N 1 0 392.547 4.123 20 0 GIADRO CCOc1ccccc1NC(=O)CC[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000192468909 824003024 /nfs/dbraw/zinc/00/30/24/824003024.db2.gz UZCLGWOTVMWIIF-UHFFFAOYSA-N 1 0 398.478 4.148 20 0 GIADRO CC(C)[N@@H+]1CCCC[C@H]1CN1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000575820125 824003041 /nfs/dbraw/zinc/00/30/41/824003041.db2.gz QKYVJNHSVWZWDA-OALUTQOASA-N 1 0 381.358 4.085 20 0 GIADRO Cc1ccc2c(C[NH+]3CCC(C(=O)c4ccc(F)cc4)CC3)cc(=O)oc2c1 ZINC000192469405 824003152 /nfs/dbraw/zinc/00/31/52/824003152.db2.gz KCQLFKWOUPHIPZ-UHFFFAOYSA-N 1 0 379.431 4.335 20 0 GIADRO OCC1([C@@H]([NH2+]Cc2ccc(F)cc2C(F)(F)F)c2ccccc2)CCOCC1 ZINC000414533519 824003482 /nfs/dbraw/zinc/00/34/82/824003482.db2.gz FEUPUSUWTRGBHF-IBGZPJMESA-N 1 0 397.412 4.465 20 0 GIADRO CCCCOc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C(=O)C3CCCC3)C2)cc1OC ZINC000127030331 824003490 /nfs/dbraw/zinc/00/34/90/824003490.db2.gz GOYRGYMJMZHWJE-YLJYHZDGSA-N 1 0 388.552 4.316 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000192472182 824003952 /nfs/dbraw/zinc/00/39/52/824003952.db2.gz KCUJNYJCSPKVEB-KSFYIVLOSA-N 1 0 379.529 4.478 20 0 GIADRO CC[NH+](CC)Cc1ccc(-c2nc(CC(=O)Nc3ccc(Cl)cc3)no2)cc1 ZINC000575825079 824004617 /nfs/dbraw/zinc/00/46/17/824004617.db2.gz WISRZVXQHQILPX-UHFFFAOYSA-N 1 0 398.894 4.413 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@@H]2CCN(C(=O)C3CCCC3)C2)ccc1SC(F)F ZINC000127037017 824004881 /nfs/dbraw/zinc/00/48/81/824004881.db2.gz CYWRAUSHDJNREJ-XJKSGUPXSA-N 1 0 398.519 4.452 20 0 GIADRO CCOc1c(OC)cc(C[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)cc1OC ZINC000414540667 824006007 /nfs/dbraw/zinc/00/60/07/824006007.db2.gz BZHBGGMUNCSUED-QHCPKHFHSA-N 1 0 397.515 4.456 20 0 GIADRO CSc1ccccc1OC[C@H](O)C[N@H+](Cc1cnc2cccc(C)n12)C(C)C ZINC000414541354 824006328 /nfs/dbraw/zinc/00/63/28/824006328.db2.gz CNMZXNVLHOTNAD-LJQANCHMSA-N 1 0 399.560 4.015 20 0 GIADRO OC[C@@H]([NH2+]Cc1ccc(-c2ccc(Br)cc2)s1)[C@H]1CCCOC1 ZINC000414541344 824006497 /nfs/dbraw/zinc/00/64/97/824006497.db2.gz CNDKOTHDAJHFPN-WMLDXEAASA-N 1 0 396.350 4.055 20 0 GIADRO CC(C)[C@H]1[N@H+](Cc2nc3cc(C(F)(F)F)ccc3n2C)CC12CCOCC2 ZINC000414545613 824007533 /nfs/dbraw/zinc/00/75/33/824007533.db2.gz WZISXZDLFOGVLI-GOSISDBHSA-N 1 0 381.442 4.229 20 0 GIADRO C[C@@H](C[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000414550014 824009061 /nfs/dbraw/zinc/00/90/61/824009061.db2.gz ISONTDGFYKUCOZ-AVRDEDQJSA-N 1 0 399.556 4.047 20 0 GIADRO COc1cc(C[NH+]2CC(CO)(c3ccccc3)C2)c(-c2ccccc2)cc1OC ZINC000414550928 824009568 /nfs/dbraw/zinc/00/95/68/824009568.db2.gz OBKOVBGJMMEXKL-UHFFFAOYSA-N 1 0 389.495 4.117 20 0 GIADRO COCCNc1ccc(C[NH2+][C@H](C)c2cnn(-c3ccc(F)cc3)c2C)cc1 ZINC000127065205 824010202 /nfs/dbraw/zinc/01/02/02/824010202.db2.gz KPQRNQVQVNJCNY-MRXNPFEDSA-N 1 0 382.483 4.229 20 0 GIADRO Cc1nn(-c2ccccn2)c(C)c1C[N@@H+]1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC000414560551 824012963 /nfs/dbraw/zinc/01/29/63/824012963.db2.gz QXMOUVSLQVAQIJ-IBGZPJMESA-N 1 0 398.551 4.218 20 0 GIADRO COc1cc(C[NH2+]CC(C)(C)c2cccnc2)ccc1OCc1c(C)noc1C ZINC000414562045 824013503 /nfs/dbraw/zinc/01/35/03/824013503.db2.gz UFGWRHNIVORWJV-UHFFFAOYSA-N 1 0 395.503 4.341 20 0 GIADRO C[C@H](Cc1cn(C)c2ccc(F)cc12)[NH2+]Cc1ncc(Br)s1 ZINC000414569909 824014430 /nfs/dbraw/zinc/01/44/30/824014430.db2.gz QDDUJIKDMZCBFA-SNVBAGLBSA-N 1 0 382.302 4.257 20 0 GIADRO Cc1cccc(Oc2ccccc2C(=O)N2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000575860347 824015161 /nfs/dbraw/zinc/01/51/61/824015161.db2.gz AMTCBMHCWCTCIQ-WMZHIEFXSA-N 1 0 394.515 4.146 20 0 GIADRO CCc1nc(C[NH2+]C2CCN(Cc3cccc(Br)c3)CC2)cs1 ZINC000414584667 824016351 /nfs/dbraw/zinc/01/63/51/824016351.db2.gz JOSNMBADNVMKBV-UHFFFAOYSA-N 1 0 394.382 4.222 20 0 GIADRO Cc1cccc(COc2cccc(C(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)c2)c1 ZINC000127102859 824017869 /nfs/dbraw/zinc/01/78/69/824017869.db2.gz RTWMLYUZNMBCRK-NRFANRHFSA-N 1 0 378.516 4.132 20 0 GIADRO COc1cc(-c2noc(C(C)(C)[C@H]([NH3+])c3ccccc3)n2)cc(Cl)c1OC ZINC000414613559 824017831 /nfs/dbraw/zinc/01/78/31/824017831.db2.gz DZFKAYZXDHMGIU-QGZVFWFLSA-N 1 0 387.867 4.385 20 0 GIADRO CC(C)(C)OC(=O)c1cccc(NCc2ccc(OCC[NH+]3CCCC3)cc2)n1 ZINC000575877120 824018132 /nfs/dbraw/zinc/01/81/32/824018132.db2.gz CUXFUKUJVTUYSV-UHFFFAOYSA-N 1 0 397.519 4.124 20 0 GIADRO CN(C(=O)Nc1cc(-c2ccccc2)on1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000127113241 824020057 /nfs/dbraw/zinc/02/00/57/824020057.db2.gz JVZYMFCJQAQMIU-UHFFFAOYSA-N 1 0 390.487 4.470 20 0 GIADRO C[C@@H](NC(=O)NC1CC[NH+](CC2CC2)CC1)c1nc(-c2ccccc2)cs1 ZINC000170964265 824021219 /nfs/dbraw/zinc/02/12/19/824021219.db2.gz FBVVPWDRKNBFKZ-OAHLLOKOSA-N 1 0 384.549 4.045 20 0 GIADRO C[C@H](NC(=O)[C@H](C)[NH+]1CCC(c2ccncn2)CC1)c1ccc2ccccc2c1 ZINC000575891427 824021774 /nfs/dbraw/zinc/02/17/74/824021774.db2.gz MLYNCRYBNADRTF-ROUUACIJSA-N 1 0 388.515 4.075 20 0 GIADRO O=C(Nc1cc(C(F)(F)F)ccc1Cl)N1CCC2(CC[NH2+]CC2)CC1 ZINC000414669893 824022111 /nfs/dbraw/zinc/02/21/11/824022111.db2.gz KBDKBKAOOXMVDU-UHFFFAOYSA-N 1 0 375.822 4.356 20 0 GIADRO O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC2(C1)CC[NH2+]CC2 ZINC000414672154 824022743 /nfs/dbraw/zinc/02/27/43/824022743.db2.gz ADNLYLUGRKMIPY-UHFFFAOYSA-N 1 0 395.347 4.332 20 0 GIADRO O=C(C[NH2+]C1(c2ccc(F)cc2)CCOCC1)Nc1ccc(Cl)cc1Cl ZINC000170971648 824023488 /nfs/dbraw/zinc/02/34/88/824023488.db2.gz PLTLZEFDEWUJKX-UHFFFAOYSA-N 1 0 397.277 4.367 20 0 GIADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)N[C@H](Cc2ccccc2)c2nc3ccccc3s2)C1 ZINC000575900410 824023843 /nfs/dbraw/zinc/02/38/43/824023843.db2.gz GZXUGKCOSWEMPA-ZHALLVOQSA-N 1 0 394.544 4.007 20 0 GIADRO O=C(NCCC[NH2+]Cc1cccnc1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414701202 824024822 /nfs/dbraw/zinc/02/48/22/824024822.db2.gz UGTNRLZYTLFITM-UHFFFAOYSA-N 1 0 386.805 4.055 20 0 GIADRO CCCOc1ccc(C(F)(F)F)cc1NC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000414712673 824025478 /nfs/dbraw/zinc/02/54/78/824025478.db2.gz TULUEYRNYMNIQV-NWANDNLSSA-N 1 0 385.430 4.085 20 0 GIADRO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000127142445 824025493 /nfs/dbraw/zinc/02/54/93/824025493.db2.gz CPZMSNOMTQMUPW-DJJJIMSYSA-N 1 0 379.426 4.109 20 0 GIADRO Cc1csc([C@@H](C)[NH2+]C[C@H](O)COc2ccc(Oc3ccccc3)cc2)n1 ZINC000575906629 824026095 /nfs/dbraw/zinc/02/60/95/824026095.db2.gz JFSRPFIHOXFQLY-SJORKVTESA-N 1 0 384.501 4.334 20 0 GIADRO Cc1cccc(Oc2ccc(NC(=O)N3CCC(OCCC[NH3+])CC3)cc2)c1 ZINC000414720797 824026507 /nfs/dbraw/zinc/02/65/07/824026507.db2.gz ZVXYJUVZVNZPGT-UHFFFAOYSA-N 1 0 383.492 4.149 20 0 GIADRO CCCOc1ccc(NC(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1OCCC ZINC000414719256 824026598 /nfs/dbraw/zinc/02/65/98/824026598.db2.gz USASCXWCFLTIAH-ROUUACIJSA-N 1 0 389.540 4.118 20 0 GIADRO Cc1nc2ccc(NC(=O)N3C[C@@H]4C[N@@H+](Cc5ccccc5)CC[C@@H]4C3)cc2o1 ZINC000575910057 824026905 /nfs/dbraw/zinc/02/69/05/824026905.db2.gz DWRZRKANIDKNCT-MOPGFXCFSA-N 1 0 390.487 4.122 20 0 GIADRO CCOc1ccc(Oc2ccccc2NC(=O)N2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000414724231 824027895 /nfs/dbraw/zinc/02/78/95/824027895.db2.gz JQUQKRMNGBMGOF-KRWDZBQOSA-N 1 0 383.492 4.470 20 0 GIADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)C1 ZINC000414726789 824028801 /nfs/dbraw/zinc/02/88/01/824028801.db2.gz ACSCSHZDHNIJLJ-PWSUYJOCSA-N 1 0 399.347 4.242 20 0 GIADRO C[NH2+]CCC1CCN(C(=O)Nc2ncc(Cc3ccccc3Cl)s2)CC1 ZINC000414732249 824029600 /nfs/dbraw/zinc/02/96/00/824029600.db2.gz IHVUBJNJSXHGCS-UHFFFAOYSA-N 1 0 392.956 4.241 20 0 GIADRO Cc1ccc(Sc2ccc(NC(=O)N3CCCO[C@@H](C[NH3+])C3)cc2)c(C)c1 ZINC000414732727 824030052 /nfs/dbraw/zinc/03/00/52/824030052.db2.gz UTAIWMULDGBDKV-SFHVURJKSA-N 1 0 385.533 4.036 20 0 GIADRO CCOc1ccc([C@@H](C)NC(=O)CCC[NH2+]C2CCC3(CCCO3)CC2)cc1 ZINC000575922499 824030217 /nfs/dbraw/zinc/03/02/17/824030217.db2.gz GDZMEJXKPLUOJH-TWEIKEKHSA-N 1 0 388.552 4.124 20 0 GIADRO C[C@@H]1CCN(C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)[C@@H](C[NH3+])C1 ZINC000414735874 824030291 /nfs/dbraw/zinc/03/02/91/824030291.db2.gz XOITWVKMUNLQLE-CRAIPNDOSA-N 1 0 394.544 4.478 20 0 GIADRO COc1ccccc1[C@@H](NC(=O)NC1CC[NH+](CC(C)C)CC1)c1ccccc1 ZINC000170994045 824030751 /nfs/dbraw/zinc/03/07/51/824030751.db2.gz HRRHFTARYGUUGQ-QHCPKHFHSA-N 1 0 395.547 4.204 20 0 GIADRO [NH3+]C1CCC(NC(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)CC1 ZINC000414737841 824031190 /nfs/dbraw/zinc/03/11/90/824031190.db2.gz OMUBLONUZRDFCK-UHFFFAOYSA-N 1 0 399.347 4.432 20 0 GIADRO C[C@@H]1CCN(C(=O)Nc2ccccc2-c2nc3ccccc3s2)C[C@H]1C[NH3+] ZINC000414740625 824031494 /nfs/dbraw/zinc/03/14/94/824031494.db2.gz REUPPSOTOFDCLI-HUUCEWRRSA-N 1 0 380.517 4.412 20 0 GIADRO CN(C(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1)C1CC[NH+](C)CC1 ZINC000192560705 824031758 /nfs/dbraw/zinc/03/17/58/824031758.db2.gz XBZHULMDNHDYTM-UHFFFAOYSA-N 1 0 393.462 4.314 20 0 GIADRO C[C@@H]1CN(C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)CC[C@H]1[NH3+] ZINC000414744892 824032243 /nfs/dbraw/zinc/03/22/43/824032243.db2.gz WTPVLNGTNGJYTK-QMTHXVAHSA-N 1 0 399.347 4.242 20 0 GIADRO C[C@@H]1CN(C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)CC[C@@H]1[NH3+] ZINC000414744894 824032341 /nfs/dbraw/zinc/03/23/41/824032341.db2.gz WTPVLNGTNGJYTK-YGRLFVJLSA-N 1 0 399.347 4.242 20 0 GIADRO [NH3+]CCC[C@H](NC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)c1ccccc1 ZINC000414752641 824033354 /nfs/dbraw/zinc/03/33/54/824033354.db2.gz CFHJTDIEFSFQET-FQEVSTJZSA-N 1 0 389.503 4.351 20 0 GIADRO [NH3+]CCCN(Cc1ccccc1)C(=O)Nc1ccccc1OCC(F)(F)F ZINC000414764960 824034217 /nfs/dbraw/zinc/03/42/17/824034217.db2.gz FNWKAVSOCCVTGQ-UHFFFAOYSA-N 1 0 381.398 4.011 20 0 GIADRO [NH3+]CCC[C@@H](NC(=O)Nc1ccc(OCC(F)(F)F)cc1)c1ccccc1 ZINC000414772771 824034899 /nfs/dbraw/zinc/03/48/99/824034899.db2.gz RQVWZTZDFMQHEM-QGZVFWFLSA-N 1 0 381.398 4.229 20 0 GIADRO O=C(NCc1ccc2c(c1)C[NH2+]C2)Nc1cc(Cl)ccc1OCC(F)(F)F ZINC000414776099 824035053 /nfs/dbraw/zinc/03/50/53/824035053.db2.gz CZPPQOPQTJKCJS-UHFFFAOYSA-N 1 0 399.800 4.206 20 0 GIADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)Nc2ccc(OC(F)F)c(Cc3ccccc3)c2)C1 ZINC000414781335 824035341 /nfs/dbraw/zinc/03/53/41/824035341.db2.gz HITQUTNDCDKTSE-DOTOQJQBSA-N 1 0 389.446 4.128 20 0 GIADRO C[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@@H](CC1CCCCC1)c1ccccc1 ZINC000414783093 824035856 /nfs/dbraw/zinc/03/58/56/824035856.db2.gz GBVKQWOVUPMRIC-QFIPXVFZSA-N 1 0 393.531 4.172 20 0 GIADRO c1c2ccccc2oc1-c1nn(Cc2ccccc2)cc1CNC1CC[NH2+]CC1 ZINC000414790674 824036555 /nfs/dbraw/zinc/03/65/55/824036555.db2.gz PNXFRJOUXKKGPJ-UHFFFAOYSA-N 1 0 386.499 4.186 20 0 GIADRO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)NCC2(c3ccccc3)CCCCCC2)cc1 ZINC000414795637 824036947 /nfs/dbraw/zinc/03/69/47/824036947.db2.gz NHUNXJJMNYRAFA-SFHVURJKSA-N 1 0 393.531 4.053 20 0 GIADRO CCOCCOc1ccc(Br)cc1CNc1ccc([C@H](C)[NH3+])cc1 ZINC000414796426 824037057 /nfs/dbraw/zinc/03/70/57/824037057.db2.gz ALJCAVWEMXAHHC-AWEZNQCLSA-N 1 0 393.325 4.496 20 0 GIADRO Fc1ccc(-n2cc(C[N@@H+]3C[C@H](c4ccccc4)[C@@H]4COCC[C@@H]43)cn2)cc1 ZINC000575956124 824037294 /nfs/dbraw/zinc/03/72/94/824037294.db2.gz KUNGFALQSWUMBE-VJBWXMMDSA-N 1 0 377.463 4.016 20 0 GIADRO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@@H](C)c1ccc(SC(C)C)cc1 ZINC000414810049 824038233 /nfs/dbraw/zinc/03/82/33/824038233.db2.gz WNTOBGWEUOHWGT-INIZCTEOSA-N 1 0 399.560 4.113 20 0 GIADRO CC(=O)Nc1ccc(C[NH2+][C@H](C)CC(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000192589803 824039221 /nfs/dbraw/zinc/03/92/21/824039221.db2.gz IPNHZKBWUSBUIN-CYBMUJFWSA-N 1 0 393.409 4.171 20 0 GIADRO c1ccc2c(c1)C[C@@H]1C[N@H+](Cc3ccccc3OCc3cccnc3)CCCN21 ZINC000575962498 824039178 /nfs/dbraw/zinc/03/91/78/824039178.db2.gz IGJBEFWXOMTQIE-HSZRJFAPSA-N 1 0 385.511 4.298 20 0 GIADRO O=C(Nc1cc(Cl)ccc1N1CCCCC1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414824660 824039945 /nfs/dbraw/zinc/03/99/45/824039945.db2.gz REHCUJBRTUXHKZ-SJORKVTESA-N 1 0 390.959 4.184 20 0 GIADRO CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000414834788 824040269 /nfs/dbraw/zinc/04/02/69/824040269.db2.gz QVYDMXFRXLLQBI-AUUYWEPGSA-N 1 0 387.911 4.154 20 0 GIADRO CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000414834794 824040472 /nfs/dbraw/zinc/04/04/72/824040472.db2.gz QVYDMXFRXLLQBI-KUHUBIRLSA-N 1 0 387.911 4.154 20 0 GIADRO Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000414835603 824040869 /nfs/dbraw/zinc/04/08/69/824040869.db2.gz DMIUXGUPDZZHTN-HXUWFJFHSA-N 1 0 394.519 4.147 20 0 GIADRO COc1cc(CNC[C@@H]([NH3+])c2ccccc2)cc(OC)c1OCc1ccccc1 ZINC000414835993 824040882 /nfs/dbraw/zinc/04/08/82/824040882.db2.gz SJYAYVVHYHNXSF-OAQYLSRUSA-N 1 0 392.499 4.072 20 0 GIADRO C[NH2+]C[C@H](C)CNCc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000414845895 824041113 /nfs/dbraw/zinc/04/11/13/824041113.db2.gz UBILERMUOWFSRK-ZDUSSCGKSA-N 1 0 380.319 4.191 20 0 GIADRO C[C@@H]1CN(C(=O)Nc2cc(C(C)(C)C)nn2-c2cccc(Cl)c2)CC[C@@H]1[NH3+] ZINC000414851235 824041725 /nfs/dbraw/zinc/04/17/25/824041725.db2.gz NXJIIEVBASBEAE-CJNGLKHVSA-N 1 0 389.931 4.024 20 0 GIADRO CCS(=O)(=O)c1c(Cl)cccc1CNC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000414853734 824042612 /nfs/dbraw/zinc/04/26/12/824042612.db2.gz YALCCNSQBXWBPR-IBGZPJMESA-N 1 0 394.968 4.047 20 0 GIADRO CCOc1c(Br)cc(CNc2cccc(C[NH2+]C)c2)cc1OC ZINC000414861584 824042981 /nfs/dbraw/zinc/04/29/81/824042981.db2.gz GBTVFDJMZWCGQW-UHFFFAOYSA-N 1 0 379.298 4.188 20 0 GIADRO Fc1ccc(C(C[NH2+]CCCNCc2cccnc2)c2ccc(F)cc2)cc1 ZINC000414862629 824043128 /nfs/dbraw/zinc/04/31/28/824043128.db2.gz VSAPJDPNYDWULR-UHFFFAOYSA-N 1 0 381.470 4.261 20 0 GIADRO C[NH+](C)C1CCC(NC(=O)N[C@@H]2CCOc3c(-c4ccccc4)cccc32)CC1 ZINC000575979025 824043313 /nfs/dbraw/zinc/04/33/13/824043313.db2.gz WBMJHGZSWOBDQS-OBFZPWGMSA-N 1 0 393.531 4.349 20 0 GIADRO Cc1ccc(C2(C(=O)Nc3cccc4c3OCC[C@@H]4[NH+](C)C)CCOCC2)cc1 ZINC000575983242 824043642 /nfs/dbraw/zinc/04/36/42/824043642.db2.gz UKPNKSXSGUTJKP-NRFANRHFSA-N 1 0 394.515 4.067 20 0 GIADRO COc1ccc2onc(CC(=O)Nc3cccc(C[NH+]4CCCCC4)c3)c2c1 ZINC000414880894 824044734 /nfs/dbraw/zinc/04/47/34/824044734.db2.gz RHDRFPZJFJLUNS-UHFFFAOYSA-N 1 0 379.460 4.004 20 0 GIADRO O=C(c1csc(-c2c(F)cccc2F)n1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000171041984 824045230 /nfs/dbraw/zinc/04/52/30/824045230.db2.gz YDDPYIZIQDBVDJ-CQSZACIVSA-N 1 0 391.487 4.179 20 0 GIADRO CCCc1noc2nc(C3CC3)cc(C(=O)N3CCC[C@H]3C[NH+]3CCCCC3)c12 ZINC000171042617 824045324 /nfs/dbraw/zinc/04/53/24/824045324.db2.gz VHJZIQUDLITHHK-KRWDZBQOSA-N 1 0 396.535 4.143 20 0 GIADRO CC(C)C[C@@H](NC(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1)c1ccc(Cl)cc1 ZINC000414888357 824045898 /nfs/dbraw/zinc/04/58/98/824045898.db2.gz RKGPVBMXECIJTQ-IFXJQAMLSA-N 1 0 387.911 4.202 20 0 GIADRO CC[N@@H+]1CCN(C(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)[C@H](C)C1 ZINC000575994776 824045781 /nfs/dbraw/zinc/04/57/81/824045781.db2.gz WWAAIMZBJJGWFP-CYBMUJFWSA-N 1 0 396.318 4.134 20 0 GIADRO CCCC[C@H](C[NH3+])NC(=O)Nc1cc(NC(=O)Nc2ccccc2)ccc1C ZINC000414892440 824046424 /nfs/dbraw/zinc/04/64/24/824046424.db2.gz PUTGQUWPLVACOW-GOSISDBHSA-N 1 0 383.496 4.278 20 0 GIADRO COc1ccc([C@H]2CC[NH2+]C[C@@H]2NCc2csc(-c3cccs3)n2)cc1 ZINC000414894559 824046824 /nfs/dbraw/zinc/04/68/24/824046824.db2.gz ZOUCRUDLUWOSNR-MSOLQXFVSA-N 1 0 385.558 4.116 20 0 GIADRO [NH3+]CCc1ccccc1C(=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000575998224 824047335 /nfs/dbraw/zinc/04/73/35/824047335.db2.gz NNDMAGJHIRDWOS-UTTDKNERSA-N 1 0 382.507 4.215 20 0 GIADRO Cc1cc(C)n(-c2cccc(NC(=O)N[C@H](CCC[NH3+])c3ccccc3)c2)n1 ZINC000414912378 824049053 /nfs/dbraw/zinc/04/90/53/824049053.db2.gz UIXASFNYAFXQJO-OAQYLSRUSA-N 1 0 377.492 4.091 20 0 GIADRO Cc1ccc(Br)cc1NC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000414910207 824049140 /nfs/dbraw/zinc/04/91/40/824049140.db2.gz SNBOOMKGHBQYCV-PBHICJAKSA-N 1 0 380.330 4.144 20 0 GIADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)CCc2ccccc2Cl)c1 ZINC000576013030 824049952 /nfs/dbraw/zinc/04/99/52/824049952.db2.gz HOWPLCQSRFKCJX-UHFFFAOYSA-N 1 0 387.911 4.192 20 0 GIADRO CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]Cc1ccc(Cn3cccn3)cc1)CCC2 ZINC000192630738 824050494 /nfs/dbraw/zinc/05/04/94/824050494.db2.gz FVMJGCWHZMIXRQ-IBGZPJMESA-N 1 0 393.487 4.177 20 0 GIADRO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@@H]1CCCc2cc(N)ccc21 ZINC000414927411 824051010 /nfs/dbraw/zinc/05/10/10/824051010.db2.gz MAJSYYJAUGYTOH-YCRPNKLZSA-N 1 0 385.939 4.326 20 0 GIADRO CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+][C@@H](C)c1cccc(NC(C)=O)c1)CCC2 ZINC000192631804 824051288 /nfs/dbraw/zinc/05/12/88/824051288.db2.gz NRBIHHUVXPERDB-KSSFIOAISA-N 1 0 384.476 4.451 20 0 GIADRO Nc1ccc2c(c1)CCC[C@H]2[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000414930188 824051407 /nfs/dbraw/zinc/05/14/07/824051407.db2.gz OTEDKXYLRIPWNF-OAQYLSRUSA-N 1 0 383.923 4.194 20 0 GIADRO C[C@H]([NH3+])c1ccc(CNC(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2)cc1 ZINC000414929999 824051445 /nfs/dbraw/zinc/05/14/45/824051445.db2.gz AIKDLLCCUYVENL-SJORKVTESA-N 1 0 394.519 4.043 20 0 GIADRO Nc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000414930182 824051525 /nfs/dbraw/zinc/05/15/25/824051525.db2.gz OTEDKXYLRIPWNF-NRFANRHFSA-N 1 0 383.923 4.194 20 0 GIADRO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@H]1CCCc2cc(N)ccc21 ZINC000414937224 824051818 /nfs/dbraw/zinc/05/18/18/824051818.db2.gz VGZUVZLRCLBWTQ-BTYIYWSLSA-N 1 0 385.939 4.326 20 0 GIADRO C[C@@H]1C[NH2+]CC[C@@H]1NCc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000414948760 824053258 /nfs/dbraw/zinc/05/32/58/824053258.db2.gz YZVVHVRHFBKNDG-YJYMSZOUSA-N 1 0 392.330 4.333 20 0 GIADRO C[C@@H](c1ccc(F)cc1)[NH+]1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)CC1 ZINC000171065432 824053296 /nfs/dbraw/zinc/05/32/96/824053296.db2.gz XCHOWVYJZSCRCO-GJZGRUSLSA-N 1 0 396.462 4.201 20 0 GIADRO COc1cccc(-c2nn(C(C)(C)C)cc2CN2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c1 ZINC000576028523 824053352 /nfs/dbraw/zinc/05/33/52/824053352.db2.gz JEMFVYTVIXLXIV-XMSQKQJNSA-N 1 0 396.579 4.372 20 0 GIADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)Nc1ccc(Br)cc1C(F)(F)F ZINC000414967719 824055532 /nfs/dbraw/zinc/05/55/32/824055532.db2.gz DIXWWKNAAZHOMI-NOZJJQNGSA-N 1 0 394.235 4.202 20 0 GIADRO CCC(CC)(C[NH3+])NC(=O)Nc1ccc(Br)cc1C(F)(F)F ZINC000414969085 824055758 /nfs/dbraw/zinc/05/57/58/824055758.db2.gz GNDCXVZHMIZEEI-UHFFFAOYSA-N 1 0 382.224 4.107 20 0 GIADRO CCCOc1ccccc1NC(=O)N(C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000359898994 206269535 /nfs/dbraw/zinc/26/95/35/206269535.db2.gz NTYOVNNGSDXXLZ-UHFFFAOYSA-N 1 0 396.535 4.041 20 0 GIADRO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2ccc3ccccc3c2)CC1 ZINC000016002814 207070576 /nfs/dbraw/zinc/07/05/76/207070576.db2.gz ZJEBVJHAOUWEEL-UHFFFAOYSA-N 1 0 379.891 4.497 20 0 GIADRO Cc1c2cc(Br)ccc2oc1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000072012970 207967993 /nfs/dbraw/zinc/96/79/93/207967993.db2.gz GDOCXEBWCCYNHG-UHFFFAOYSA-N 1 0 391.309 4.204 20 0 GIADRO FC(F)(c1cc(-c2ccco2)nnc1Cl)N1CCC2(CCCC[NH2+]2)CC1 ZINC001164387267 718803772 /nfs/dbraw/zinc/80/37/72/718803772.db2.gz KXRAVWWLTVEMEW-UHFFFAOYSA-N 1 0 382.842 4.047 20 0 GIADRO FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1CCC2(CCCC[NH2+]2)CC1 ZINC001164386979 718803806 /nfs/dbraw/zinc/80/38/06/718803806.db2.gz IENHWLWSPFIKOI-UHFFFAOYSA-N 1 0 392.881 4.454 20 0 GIADRO [NH3+]CC1(F)CCN(C(F)(F)c2cnc(Cl)c(-c3cccs3)c2)CC1 ZINC001164387517 718813707 /nfs/dbraw/zinc/81/37/07/718813707.db2.gz HEMIUVCRMKVGKR-UHFFFAOYSA-N 1 0 375.847 4.276 20 0 GIADRO Cc1cc(Cl)ncc1C(F)(F)N1CCC2(CC[NH2+]CC2)[C@H]1C(F)(F)F ZINC001164386924 718814689 /nfs/dbraw/zinc/81/46/89/718814689.db2.gz BYRYAYJSVYUJJH-ZDUSSCGKSA-N 1 0 383.792 4.099 20 0 GIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3c4ccccc4C(=O)[C@@H]3C2)nc1 ZINC001164408756 718849164 /nfs/dbraw/zinc/84/91/64/718849164.db2.gz SVPCGAUOUMFQAX-BHDDXSALSA-N 1 0 375.516 4.435 20 0 GIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3C(=O)Nc4ccccc4[C@H]3C2)nc1 ZINC001164400898 718859069 /nfs/dbraw/zinc/85/90/69/718859069.db2.gz AQTKMXMYIPXOGC-RZUBCFFCSA-N 1 0 390.531 4.191 20 0 GIADRO Fc1cnc(Cl)cc1C(F)(F)N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001164415027 718880575 /nfs/dbraw/zinc/88/05/75/718880575.db2.gz ZCJUHYTYQQFKFB-LLVKDONJSA-N 1 0 387.755 4.072 20 0 GIADRO CC(C)c1ccc(-c2cc(C(F)(F)N3C[C@H]4C[C@@]4([NH3+])C3)c(Cl)nn2)cc1 ZINC001164417937 718889190 /nfs/dbraw/zinc/88/91/90/718889190.db2.gz LOOLPECTQZWODG-RDTXWAMCSA-N 1 0 378.854 4.003 20 0 GIADRO C1=CC2(CCN(c3cccc(OCC[NH+]4CCCC4)n3)CC2)c2ccccc21 ZINC001164420191 718909578 /nfs/dbraw/zinc/90/95/78/718909578.db2.gz GZKAJVBELLWYSL-UHFFFAOYSA-N 1 0 375.516 4.121 20 0 GIADRO Cc1ccc(-c2cc(C(F)(F)N3CCC(C4C[NH2+]C4)CC3)c(Cl)nn2)cc1 ZINC001164615509 719037656 /nfs/dbraw/zinc/03/76/56/719037656.db2.gz OLNYZULTOWJODP-UHFFFAOYSA-N 1 0 392.881 4.086 20 0 GIADRO Cc1cccc(-c2cc(C(F)(F)N3CCC(C4C[NH2+]C4)CC3)c(Cl)nn2)c1 ZINC001164616315 719037901 /nfs/dbraw/zinc/03/79/01/719037901.db2.gz WKCYFWGTMZVTLU-UHFFFAOYSA-N 1 0 392.881 4.086 20 0 GIADRO Cc1ccc(Cl)nc1C(F)(F)N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164626591 719046963 /nfs/dbraw/zinc/04/69/63/719046963.db2.gz SHZFJUKTOYPDIS-APWZRJJASA-N 1 0 377.866 4.172 20 0 GIADRO CC(C)(C)OC(=O)c1ccnc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001164621041 719061571 /nfs/dbraw/zinc/06/15/71/719061571.db2.gz GMPBNJILWTWMKT-LEWJYISDSA-N 1 0 393.531 4.138 20 0 GIADRO c1ccc(C[N@@H+]2C[C@H]3CCCN(c4nccc(Oc5ccccc5)n4)[C@@H]3C2)cc1 ZINC001164619956 719067089 /nfs/dbraw/zinc/06/70/89/719067089.db2.gz DKJFKVXXPQUQMX-IFMALSPDSA-N 1 0 386.499 4.370 20 0 GIADRO Cc1nc2cc(F)ccc2c(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164624350 719068439 /nfs/dbraw/zinc/06/84/39/719068439.db2.gz LJTRQUSBMJCDFM-AVRDEDQJSA-N 1 0 376.479 4.178 20 0 GIADRO c1ccc(C[N@@H+]2C[C@H]3CCCN(c4ncnc5[nH]c6ccccc6c54)[C@H]3C2)cc1 ZINC001164629861 719082440 /nfs/dbraw/zinc/08/24/40/719082440.db2.gz ZOYGTCRZHYAYAA-NQIIRXRSSA-N 1 0 383.499 4.212 20 0 GIADRO CC(C)n1ccc2c1ncnc2N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164625002 719093446 /nfs/dbraw/zinc/09/34/46/719093446.db2.gz FXFGIWDPBGQXRF-TZIWHRDSSA-N 1 0 375.520 4.113 20 0 GIADRO Fc1cnc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1-c1ccsc1 ZINC001164622765 719111250 /nfs/dbraw/zinc/11/12/50/719111250.db2.gz CKZZHRLEVIKZHR-PXNSSMCTSA-N 1 0 394.519 4.445 20 0 GIADRO [NH3+]C1([C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccco4)c3)C[C@H]2CF)CC1 ZINC001164619546 719127256 /nfs/dbraw/zinc/12/72/56/719127256.db2.gz FCHWBKWBVLJUBV-BXUZGUMPSA-N 1 0 385.817 4.053 20 0 GIADRO COCc1nc2scc(-c3ccccc3)c2c(N2C[C@H](C)[N@H+](C)C[C@@H]2C)n1 ZINC000508374628 719245459 /nfs/dbraw/zinc/24/54/59/719245459.db2.gz FHRIQHQHHMGCGT-GJZGRUSLSA-N 1 0 382.533 4.034 20 0 GIADRO COCc1nc2scc(-c3ccccc3)c2c(N2C[C@@H](C)[N@H+](C)C[C@@H]2C)n1 ZINC000508374627 719246007 /nfs/dbraw/zinc/24/60/07/719246007.db2.gz FHRIQHQHHMGCGT-CABCVRRESA-N 1 0 382.533 4.034 20 0 GIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ccc4ncc(F)cc4n2)CC3)cs1 ZINC001164691270 719812611 /nfs/dbraw/zinc/81/26/11/719812611.db2.gz CLJLAOYDGZECLN-UHFFFAOYSA-N 1 0 397.523 4.169 20 0 GIADRO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(C)cc(C(C)C)n2)CC3)cs1 ZINC001164697867 719816668 /nfs/dbraw/zinc/81/66/68/719816668.db2.gz BJQMRYXJMBKVID-UHFFFAOYSA-N 1 0 385.581 4.308 20 0 GIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nccc3cc(Cl)ccc31)C2 ZINC001164807881 720098212 /nfs/dbraw/zinc/09/82/12/720098212.db2.gz GIALZRRLUQTZMS-PGRDOPGGSA-N 1 0 385.939 4.073 20 0 GIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(Cl)nc3sccc31)C2 ZINC001164805880 720099414 /nfs/dbraw/zinc/09/94/14/720099414.db2.gz AIKSNUJEJUNNDE-YWZLYKJASA-N 1 0 391.968 4.134 20 0 GIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(C)c3ccc(Cl)cc3n1)C2 ZINC001164815876 720140849 /nfs/dbraw/zinc/14/08/49/720140849.db2.gz WRMRUKJHIYYAGM-WZONZLPQSA-N 1 0 399.966 4.381 20 0 GIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)cc3cc(C)ccc31)C2 ZINC001164813189 720147821 /nfs/dbraw/zinc/14/78/21/720147821.db2.gz PSVFCMKZFSHJBB-WMZHIEFXSA-N 1 0 399.966 4.381 20 0 GIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(C3CCCCC3)nc(C)n1)C2 ZINC001164818089 720156368 /nfs/dbraw/zinc/15/63/68/720156368.db2.gz RTYLRMUSIIIWRT-QPPBQGQZSA-N 1 0 398.595 4.017 20 0 GIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(C)c3ccc(C)c(C)c3n1)C2 ZINC001164815071 720174393 /nfs/dbraw/zinc/17/43/93/720174393.db2.gz HVLJEFAIKHCHKQ-PXDATVDWSA-N 1 0 393.575 4.345 20 0 GIADRO COc1cnc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c2cc(Cl)ccc12 ZINC001164731297 720385799 /nfs/dbraw/zinc/38/57/99/720385799.db2.gz ZAMZPEOJQOIKMT-WOJBJXKFSA-N 1 0 394.906 4.145 20 0 GIADRO CC[C@H](C)c1nc(Cl)c(C)c(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164729046 720472619 /nfs/dbraw/zinc/47/26/19/720472619.db2.gz QXCWLACJXVEWAE-BMGDILEWSA-N 1 0 385.943 4.200 20 0 GIADRO Cc1cccc2c1ccnc2N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164838523 720548477 /nfs/dbraw/zinc/54/84/77/720548477.db2.gz OGXWREKRIWFRHZ-TXTKFYIRSA-N 1 0 389.547 4.118 20 0 GIADRO CSc1cccnc1N1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164840341 720696769 /nfs/dbraw/zinc/69/67/69/720696769.db2.gz DAHDRPDEBZHHPH-LJQANCHMSA-N 1 0 383.561 4.063 20 0 GIADRO Cc1nc(C2CCCCC2)cc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)n1 ZINC001164861673 720993255 /nfs/dbraw/zinc/99/32/55/720993255.db2.gz QCNLSADDIUZNLM-KRWDZBQOSA-N 1 0 396.583 4.451 20 0 GIADRO FC(F)(F)c1nc(Cl)ccc1C(F)(F)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001164774435 721301351 /nfs/dbraw/zinc/30/13/51/721301351.db2.gz BUXPDYPGCXWBQJ-UHFFFAOYSA-N 1 0 395.803 4.221 20 0 GIADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nnc(Cl)cc1Cl)CC2 ZINC001164791196 721490762 /nfs/dbraw/zinc/49/07/62/721490762.db2.gz CNBCTITVQDGILU-UHFFFAOYSA-N 1 0 392.334 4.059 20 0 GIADRO Cc1cc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)nc(C(C)(C)C)n1 ZINC001164795054 721501786 /nfs/dbraw/zinc/50/17/86/721501786.db2.gz BSPCQIUGBJKSHH-UHFFFAOYSA-N 1 0 393.579 4.359 20 0 GIADRO CC(C)(c1ccnc(Cl)c1)[NH+]1CCC2(CCC(=O)N2Cc2ccncc2)CC1 ZINC001164900346 721507400 /nfs/dbraw/zinc/50/74/00/721507400.db2.gz QUETZFVYFSUIBD-UHFFFAOYSA-N 1 0 398.938 4.022 20 0 GIADRO CC(C)c1ccc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164905603 721708820 /nfs/dbraw/zinc/70/88/20/721708820.db2.gz HWDXELIFZNXPNY-OAQYLSRUSA-N 1 0 386.490 4.338 20 0 GIADRO FC1(F)CCN(c2cc(C3CC3)ccn2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164907833 721709382 /nfs/dbraw/zinc/70/93/82/721709382.db2.gz UMKREVWGJQVRIY-NRFANRHFSA-N 1 0 384.474 4.092 20 0 GIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(CCCN3C(=O)C(C)C)C2)nc1 ZINC001165007397 721727895 /nfs/dbraw/zinc/72/78/95/721727895.db2.gz CKGUMWJLOZOVFC-QPPBQGQZSA-N 1 0 398.595 4.246 20 0 GIADRO Cc1nc(C(C)C)cc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165025798 721801975 /nfs/dbraw/zinc/80/19/75/721801975.db2.gz OYCGETGZFUSMNX-RCZSKKKRSA-N 1 0 379.552 4.040 20 0 GIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccnc(-c4ccccc4)n3)C[C@@H]21 ZINC001165028127 721803868 /nfs/dbraw/zinc/80/38/68/721803868.db2.gz YPNWGCPALSTQCZ-ACIOBRDBSA-N 1 0 399.542 4.276 20 0 GIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)cc4[nH]ccc43)C[C@@H]21 ZINC001165027579 721805493 /nfs/dbraw/zinc/80/54/93/721805493.db2.gz WKQGCOUFWGWRKW-ZAAXVRCTSA-N 1 0 395.938 4.348 20 0 GIADRO Cc1ccc2nc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)ncc2c1 ZINC001165024161 721813974 /nfs/dbraw/zinc/81/39/74/721813974.db2.gz JKIXMDBOTYVIIS-AVCGJXAMSA-N 1 0 387.531 4.070 20 0 GIADRO Cc1nc(Cl)cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1C ZINC001165025876 721814635 /nfs/dbraw/zinc/81/46/35/721814635.db2.gz OAXYBNSCGRTNEO-SXLOBPIMSA-N 1 0 384.955 4.484 20 0 GIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(-c4ccccc4)ncn3)C[C@@H]21 ZINC001165029655 721822942 /nfs/dbraw/zinc/82/29/42/721822942.db2.gz XJFRDSFWDMZWTQ-ODGPQVTHSA-N 1 0 399.542 4.276 20 0 GIADRO Fc1ccccc1Oc1nc(Cl)ncc1N1CC[NH+](C2CCCC2)CC1 ZINC001165033128 721861989 /nfs/dbraw/zinc/86/19/89/721861989.db2.gz CMVFJCGXGWGJSX-UHFFFAOYSA-N 1 0 376.863 4.126 20 0 GIADRO C[NH+](C)[C@@H]1CCCN(c2nc(-c3cccnc3)nc3sc4c(c32)CCCC4)C1 ZINC000301167299 721895344 /nfs/dbraw/zinc/89/53/44/721895344.db2.gz RVNQXEPEWVIIDN-MRXNPFEDSA-N 1 0 393.560 4.163 20 0 GIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(C)cc(C(C)C)n4)CC3)C2)cc1 ZINC001164940762 721933427 /nfs/dbraw/zinc/93/34/27/721933427.db2.gz DPDCBLGEHAQMBE-UHFFFAOYSA-N 1 0 394.563 4.088 20 0 GIADRO FC(F)(c1cnc(Cl)nc1Cl)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001165046007 721965292 /nfs/dbraw/zinc/96/52/92/721965292.db2.gz GOIGUJFTOKAASO-GFCCVEGCSA-N 1 0 379.282 4.173 20 0 GIADRO FC(F)(c1cc(Cl)nc(Cl)n1)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001165048182 721965625 /nfs/dbraw/zinc/96/56/25/721965625.db2.gz XKUXGAAQIOHGAQ-LBPRGKRZSA-N 1 0 379.282 4.173 20 0 GIADRO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@@H+](C(C)(C)c3ccnc(Cl)c3)C[C@H]12 ZINC001164945473 721968427 /nfs/dbraw/zinc/96/84/27/721968427.db2.gz LAPIUMLGOQKTIF-REWPJTCUSA-N 1 0 397.950 4.235 20 0 GIADRO CC(C)(C)c1noc(-c2ccnc(N3CCCC[C@@H]3CC[NH+]3CCCC3)c2)n1 ZINC001165048021 721974160 /nfs/dbraw/zinc/97/41/60/721974160.db2.gz ICSHIGKKFARAMN-GOSISDBHSA-N 1 0 383.540 4.274 20 0 GIADRO CCOc1ccc(-c2ccc(N3CCCC[C@@H]3CC[NH+]3CCCC3)nn2)cc1 ZINC001165050205 721977012 /nfs/dbraw/zinc/97/70/12/721977012.db2.gz WAGVXPYWYXENPE-HXUWFJFHSA-N 1 0 380.536 4.387 20 0 GIADRO c1ccc(-c2ccc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)nn2)cc1 ZINC001164953306 722013911 /nfs/dbraw/zinc/01/39/11/722013911.db2.gz DUHLNADVMPSCMS-UHFFFAOYSA-N 1 0 385.515 4.031 20 0 GIADRO Fc1ccc2cc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)ncc2c1 ZINC001164955438 722022977 /nfs/dbraw/zinc/02/29/77/722022977.db2.gz GUPRSDRPUJAAJM-UHFFFAOYSA-N 1 0 376.479 4.261 20 0 GIADRO Cc1cc2c(ncnc2N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)s1 ZINC001164993210 722191405 /nfs/dbraw/zinc/19/14/05/722191405.db2.gz CKZSJNPDIPYTDH-OAQYLSRUSA-N 1 0 382.508 4.384 20 0 GIADRO COc1cc(Cl)cc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164995709 722199076 /nfs/dbraw/zinc/19/90/76/722199076.db2.gz XAUMLRXGFUCZCM-FQEVSTJZSA-N 1 0 375.875 4.128 20 0 GIADRO COc1ccc2ncc(N3CCC[C@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)nc2c1 ZINC001164995348 722200579 /nfs/dbraw/zinc/20/05/79/722200579.db2.gz MHCIAURCQRNROO-QHCPKHFHSA-N 1 0 392.478 4.022 20 0 GIADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2nc(Cl)cc(C4CC4)n2)C3)c1 ZINC001164995677 722201184 /nfs/dbraw/zinc/20/11/84/722201184.db2.gz PDVYIGKQICCATH-NRFANRHFSA-N 1 0 386.902 4.391 20 0 GIADRO Cc1cccc2ncnc(N3CCC[C@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)c12 ZINC001164995354 722201274 /nfs/dbraw/zinc/20/12/74/722201274.db2.gz MHTVDLJXRKPSHR-QHCPKHFHSA-N 1 0 376.479 4.322 20 0 GIADRO COc1ccc(Cl)nc1N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164996701 722201716 /nfs/dbraw/zinc/20/17/16/722201716.db2.gz VUJZRCLNDUUKON-HXUWFJFHSA-N 1 0 375.875 4.128 20 0 GIADRO C[N@H+](Cc1ccc(N2CC[C@H](OCC3CC3)[C@H]2Cc2ccccc2)nc1)C1CC1 ZINC001165004567 722271861 /nfs/dbraw/zinc/27/18/61/722271861.db2.gz BPAUMKZUFLRLLV-RPWUZVMVSA-N 1 0 391.559 4.292 20 0 GIADRO c1ccc(C[C@@H]2[C@H](OCC3CC3)CCN2c2ccc(C[NH+]3CCCC3)cn2)cc1 ZINC001165005711 722272073 /nfs/dbraw/zinc/27/20/73/722272073.db2.gz JCEXDBHRSQSQLF-DNQXCXABSA-N 1 0 391.559 4.294 20 0 GIADRO COc1c(Br)cccc1C[NH2+]CC1([C@@H](O)c2ccccc2)CC1 ZINC000187334279 823045051 /nfs/dbraw/zinc/04/50/51/823045051.db2.gz STRCUSQSNMFKDH-SFHVURJKSA-N 1 0 376.294 4.061 20 0 GIADRO COc1ccc(-c2ccc(CNC(=O)N3CC[C@@]4(C3)CCC[N@H+](C)C4)s2)cc1 ZINC000458476319 823045218 /nfs/dbraw/zinc/04/52/18/823045218.db2.gz AMKZNOMFZNZXNO-QFIPXVFZSA-N 1 0 399.560 4.051 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCC([C@@H]2CCCO2)CC1 ZINC000187344934 823046576 /nfs/dbraw/zinc/04/65/76/823046576.db2.gz VNDPQJSTAAXKOV-CVDCTZTESA-N 1 0 399.579 4.162 20 0 GIADRO Cc1cc(C)cc(C[C@@H](C)NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000458489467 823047033 /nfs/dbraw/zinc/04/70/33/823047033.db2.gz XBYBHSKGSJEIDC-QGZVFWFLSA-N 1 0 399.501 4.293 20 0 GIADRO C[N@H+](Cc1ccccc1)C1CN(C(=O)Nc2ccc(-c3nccs3)cc2)C1 ZINC000570504620 823047361 /nfs/dbraw/zinc/04/73/61/823047361.db2.gz LZSOLGSMANNCFF-UHFFFAOYSA-N 1 0 378.501 4.158 20 0 GIADRO CCS[C@@H]1CCC[C@@H](NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000458499875 823048160 /nfs/dbraw/zinc/04/81/60/823048160.db2.gz IMJLUDSIOQCSLD-GDBMZVCRSA-N 1 0 395.535 4.109 20 0 GIADRO c1ncn(-c2ccc(C[N@H+](Cc3cccc(-c4ccncc4)c3)C3CC3)cc2)n1 ZINC000570521765 823049100 /nfs/dbraw/zinc/04/91/00/823049100.db2.gz JIQGZJJGOULEKC-UHFFFAOYSA-N 1 0 381.483 4.494 20 0 GIADRO Cc1ccc(NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)c(OC[C@@H]2CCCO2)c1 ZINC000570525335 823050034 /nfs/dbraw/zinc/05/00/34/823050034.db2.gz LNEJBDQFCIHBAC-SFTDATJTSA-N 1 0 394.515 4.013 20 0 GIADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000187363619 823050103 /nfs/dbraw/zinc/05/01/03/823050103.db2.gz MGSZYOWLQYQYCI-IEBWSBKVSA-N 1 0 393.936 4.144 20 0 GIADRO CCCOc1ccc(C[NH2+][C@@H]2CCC[C@@H](N3CCCC3=O)C2)c(OCCC)c1 ZINC000570528564 823050270 /nfs/dbraw/zinc/05/02/70/823050270.db2.gz DHQMLPLKEUPBCK-WOJBJXKFSA-N 1 0 388.552 4.287 20 0 GIADRO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)N1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000458524522 823050748 /nfs/dbraw/zinc/05/07/48/823050748.db2.gz ZRFUHGYDOGFECM-RRFJBIMHSA-N 1 0 375.479 4.154 20 0 GIADRO C[C@H](C[NH2+]Cc1cccc(N2CCOCC2)c1)c1cccc(Br)c1 ZINC000570532633 823050870 /nfs/dbraw/zinc/05/08/70/823050870.db2.gz VHUOMUCXEUXDGG-MRXNPFEDSA-N 1 0 389.337 4.179 20 0 GIADRO CC1CC[NH+]([C@H](CNC(=O)Nc2ccc([S@](C)=O)cc2)c2ccccc2)CC1 ZINC000175840432 823052188 /nfs/dbraw/zinc/05/21/88/823052188.db2.gz VMAICBHRXAWIHQ-PIKZIKFNSA-N 1 0 399.560 4.019 20 0 GIADRO COc1ccc(C[N@H+](Cc2ccc(OC(=O)C3CC3)c(OC)c2)C2CC2)cc1 ZINC000120725191 823052893 /nfs/dbraw/zinc/05/28/93/823052893.db2.gz VWOWHGCSWWVMHA-UHFFFAOYSA-N 1 0 381.472 4.184 20 0 GIADRO COC[C@](C)(CCO)[NH2+]Cc1ccc(-c2ccccc2Br)s1 ZINC000175853139 823056165 /nfs/dbraw/zinc/05/61/65/823056165.db2.gz MIUALCWPCMBFRJ-KRWDZBQOSA-N 1 0 384.339 4.055 20 0 GIADRO CC1CC[NH+](C2CCC(NC(=O)N3CC[C@@H](C(F)(F)F)C[C@H]3C)CC2)CC1 ZINC000458563311 823056486 /nfs/dbraw/zinc/05/64/86/823056486.db2.gz HBILUDNJASNUNU-MRLCAUJQSA-N 1 0 389.506 4.402 20 0 GIADRO O=C([O-])C[N@H+](Cc1ccc(Cl)cc1)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000570577099 823056583 /nfs/dbraw/zinc/05/65/83/823056583.db2.gz RLASFOPEZZHQLC-UHFFFAOYSA-N 1 0 386.923 4.413 20 0 GIADRO Cc1cccc(CN(C)C(=O)NC[C@H](CC(C)C)[NH2+][C@@H](C)c2ccccc2)n1 ZINC000458563500 823056755 /nfs/dbraw/zinc/05/67/55/823056755.db2.gz SIWPCILFNVVDGR-UGKGYDQZSA-N 1 0 382.552 4.297 20 0 GIADRO CC[S@](=O)[C@H]1CCC[C@H]([NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000175866263 823059078 /nfs/dbraw/zinc/05/90/78/823059078.db2.gz DVKAFWSSVAEPNK-YWTKSJFSSA-N 1 0 388.360 4.439 20 0 GIADRO Cc1ccccc1C(C)(C)NC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000458584231 823059462 /nfs/dbraw/zinc/05/94/62/823059462.db2.gz TZCZHQJYDZSICI-GOSISDBHSA-N 1 0 380.536 4.150 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)C1CCS(=O)(=O)CC1 ZINC000187416878 823059473 /nfs/dbraw/zinc/05/94/73/823059473.db2.gz BFCXZIFJZOTGML-MZMPZRCHSA-N 1 0 389.483 4.144 20 0 GIADRO CC[C@@H](NC(=O)NC[C@@H](c1ccc(SC)cc1)[NH+](C)C)c1c(C)noc1C ZINC000458586718 823059967 /nfs/dbraw/zinc/05/99/67/823059967.db2.gz JLAXGPORJROPSN-MSOLQXFVSA-N 1 0 390.553 4.067 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(Sc2ccc(F)cc2)cc1)C1CCS(=O)(=O)CC1 ZINC000187418909 823060004 /nfs/dbraw/zinc/06/00/04/823060004.db2.gz QFLZRFMFPXMPFS-OAHLLOKOSA-N 1 0 393.549 4.280 20 0 GIADRO O=S1(=O)CCC(C[NH2+]Cc2ccc(-c3cccc(Cl)c3Cl)o2)CC1 ZINC000120771334 823061005 /nfs/dbraw/zinc/06/10/05/823061005.db2.gz ADQXQAPJJCHPMJ-UHFFFAOYSA-N 1 0 388.316 4.168 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(NC(=O)C(C)(C)C)ccc2C)[C@H](C)C1 ZINC000120783280 823063300 /nfs/dbraw/zinc/06/33/00/823063300.db2.gz WORLPIQTPRELEF-VQIMIIECSA-N 1 0 388.556 4.174 20 0 GIADRO C[NH+](C)CCN(Cc1cccs1)C(=O)Nc1ccc(-c2nccs2)cc1 ZINC000175877745 823062031 /nfs/dbraw/zinc/06/20/31/823062031.db2.gz QKKUJGWQTHPKHQ-UHFFFAOYSA-N 1 0 386.546 4.467 20 0 GIADRO [NH3+][C@@H]1CCc2ncc(NC(=O)N3CCCC[C@@H]3c3ccc(Cl)cc3)cc2C1 ZINC000570616788 823062881 /nfs/dbraw/zinc/06/28/81/823062881.db2.gz KDCBEMRFMLYUAH-YLJYHZDGSA-N 1 0 384.911 4.310 20 0 GIADRO Brc1ccc(N2CC[C@@H](C[NH2+]C3CCC4(CCCO4)CC3)C2)cc1 ZINC000570616954 823062956 /nfs/dbraw/zinc/06/29/56/823062956.db2.gz DTLNUWXKMNKKQU-VQSBYGRUSA-N 1 0 393.369 4.357 20 0 GIADRO Cc1cnc([C@@H](NC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)C2CC2)s1 ZINC000175886370 823063777 /nfs/dbraw/zinc/06/37/77/823063777.db2.gz FBGNJOMDZGXUCH-FQEVSTJZSA-N 1 0 398.576 4.209 20 0 GIADRO COc1ccc(NC(=O)CC[NH+]2CCC(C(=O)c3ccc(C)cc3C)CC2)cc1 ZINC000055902171 823064332 /nfs/dbraw/zinc/06/43/32/823064332.db2.gz FSRIXTFSWPQJGM-UHFFFAOYSA-N 1 0 394.515 4.236 20 0 GIADRO CN(C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000458618486 823064441 /nfs/dbraw/zinc/06/44/41/823064441.db2.gz UTTSWZWYLKUBRB-GOTSBHOMSA-N 1 0 392.547 4.276 20 0 GIADRO C[C@@H](NC(=O)N[C@H]1CCCC[C@H]1CC(F)(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000458622352 823064956 /nfs/dbraw/zinc/06/49/56/823064956.db2.gz BGJNVCPGKKCPOT-HPFXQQBRSA-N 1 0 389.506 4.450 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)[C@H](C)c3nc(-c4cccnc4)no3)C2)s1 ZINC000570635694 823065163 /nfs/dbraw/zinc/06/51/63/823065163.db2.gz SHDGXARNBHKFLC-IAGOWNOFSA-N 1 0 397.548 4.016 20 0 GIADRO CC(=O)Nc1ccc2c(C[N@@H+]3CCC[C@@H]3Cc3ccc(F)cc3)cc(=O)oc2c1 ZINC000055908733 823065692 /nfs/dbraw/zinc/06/56/92/823065692.db2.gz IDIMWDMXUPVORT-HXUWFJFHSA-N 1 0 394.446 4.098 20 0 GIADRO C[C@@H](N[C@H](C[NH+]1CCCC1)c1ccccc1)c1cccc(N2CCOC2=O)c1 ZINC000120795937 823065882 /nfs/dbraw/zinc/06/58/82/823065882.db2.gz QKZOGXJBLKYVNS-XMSQKQJNSA-N 1 0 379.504 4.131 20 0 GIADRO O=C(Nc1cccc(COCC2CC2)c1)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000570642437 823066098 /nfs/dbraw/zinc/06/60/98/823066098.db2.gz PWVJYZNLEXAWEC-LEWJYISDSA-N 1 0 384.907 4.208 20 0 GIADRO C[C@H](c1ccco1)N(C)C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000187452581 823066356 /nfs/dbraw/zinc/06/63/56/823066356.db2.gz VXTSWODHCUEWRO-CZUORRHYSA-N 1 0 383.414 4.304 20 0 GIADRO CCc1cccc(C)c1NC(=O)CN1CCC(Oc2ccc(F)cc2F)CC1 ZINC000120799123 823066373 /nfs/dbraw/zinc/06/63/73/823066373.db2.gz IQNLRLZVCHSVOA-UHFFFAOYSA-N 1 0 388.458 4.318 20 0 GIADRO Cc1nc(C(C)C)ccc1C(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000570649563 823066882 /nfs/dbraw/zinc/06/68/82/823066882.db2.gz NDUFBGIECXHQQV-OAQYLSRUSA-N 1 0 393.531 4.231 20 0 GIADRO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)C1 ZINC000120801811 823066876 /nfs/dbraw/zinc/06/68/76/823066876.db2.gz GSNLFWYANWFLGK-ZVDOUQERSA-N 1 0 388.552 4.391 20 0 GIADRO Fc1ccc([C@@H](C[C@H]2CCOC2)[NH2+]Cc2ccc(OCC(F)(F)F)nc2)cc1 ZINC000570654293 823067488 /nfs/dbraw/zinc/06/74/88/823067488.db2.gz VIXODPOYLMWKAU-RDTXWAMCSA-N 1 0 398.400 4.419 20 0 GIADRO COc1ccc(NC(=O)[C@H]([NH2+][C@H]2CCOC[C@H]2C)c2ccccc2)cc1Cl ZINC000570658526 823068174 /nfs/dbraw/zinc/06/81/74/823068174.db2.gz PERLSFXVEXUUFF-HEFCMCLBSA-N 1 0 388.895 4.043 20 0 GIADRO C[C@@H](N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(N2CCOC2=O)cc1 ZINC000120810433 823068583 /nfs/dbraw/zinc/06/85/83/823068583.db2.gz OHTBMYZDKOHTDF-GCJKJVERSA-N 1 0 379.504 4.131 20 0 GIADRO Cc1ccc2c(c1)[C@@H](NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)[C@H](C)C2 ZINC000458644513 823068764 /nfs/dbraw/zinc/06/87/64/823068764.db2.gz XVVJEKDHMWGCLL-BEFAXECRSA-N 1 0 397.485 4.287 20 0 GIADRO O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@@H]2CCC[C@H]21 ZINC000175906976 823069204 /nfs/dbraw/zinc/06/92/04/823069204.db2.gz AIPYUQPLWFIFRT-JTHBVZDNSA-N 1 0 399.579 4.032 20 0 GIADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)C2(c3cccs3)CCCCC2)[C@H](C)C1 ZINC000120816921 823070141 /nfs/dbraw/zinc/07/01/41/823070141.db2.gz UESIZAVGENYOQO-RTBURBONSA-N 1 0 392.609 4.203 20 0 GIADRO Cc1cc2c(cc1C)[C@H](Nc1cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c1)CCS2 ZINC000187473747 823070603 /nfs/dbraw/zinc/07/06/03/823070603.db2.gz CIZUMLSBSVZLMK-NHCUHLMSSA-N 1 0 395.572 4.402 20 0 GIADRO C[C@@H](N[C@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(-n2cncn2)cc1Cl ZINC000120852228 823076877 /nfs/dbraw/zinc/07/68/77/823076877.db2.gz ARBCJSPDQDOJQW-VGOFRKELSA-N 1 0 395.938 4.408 20 0 GIADRO C[C@H](NC(=O)N1CC(c2cccc(Cl)c2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000458683431 823073907 /nfs/dbraw/zinc/07/39/07/823073907.db2.gz OZILREIKBKQAEP-FXAWDEMLSA-N 1 0 397.950 4.359 20 0 GIADRO COC(=O)c1ccc(-c2ccc(C[NH2+][C@@H](C)c3ccc4n[nH]cc4c3)o2)cc1 ZINC000570728420 823076949 /nfs/dbraw/zinc/07/69/49/823076949.db2.gz PLNDVBOEJPWGEF-AWEZNQCLSA-N 1 0 375.428 4.460 20 0 GIADRO O[C@@H](C[NH2+][C@@H]1C[C@H]1c1ccco1)COC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000570710690 823074639 /nfs/dbraw/zinc/07/46/39/823074639.db2.gz HBHYPQKZVXCLFO-PWRODBHTSA-N 1 0 399.437 4.170 20 0 GIADRO Cc1noc(-c2ccccc2)c1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000570719244 823075351 /nfs/dbraw/zinc/07/53/51/823075351.db2.gz LZIGSDUVLVORMD-YLJYHZDGSA-N 1 0 390.487 4.435 20 0 GIADRO Cc1nc(CCCC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)cs1 ZINC000175931660 823075785 /nfs/dbraw/zinc/07/57/85/823075785.db2.gz VXPDXDZIWZPZPA-UHFFFAOYSA-N 1 0 385.577 4.467 20 0 GIADRO CC[N@H+](CCNC(=O)N1[C@H](C)[C@H](CC(F)(F)F)C[C@@H]1C)CCC(F)(F)F ZINC000458706166 823076467 /nfs/dbraw/zinc/07/64/67/823076467.db2.gz CXLUERFWUFJYSL-XQQFMLRXSA-N 1 0 391.400 4.022 20 0 GIADRO CSc1ccc([C@@H](CNC(=O)N[C@H](C)CCCC(F)(F)F)[NH+](C)C)cc1 ZINC000458711068 823077230 /nfs/dbraw/zinc/07/72/30/823077230.db2.gz KXUDTOQWENNZIJ-CZUORRHYSA-N 1 0 391.503 4.432 20 0 GIADRO Cc1ccc(-c2nnc([C@@H](C)[N@@H+]3CCC[C@H](CNC(=O)C(C)(C)C)C3)o2)cc1C ZINC000120854912 823077343 /nfs/dbraw/zinc/07/73/43/823077343.db2.gz KRJKKODFFQDOLQ-QZTJIDSGSA-N 1 0 398.551 4.289 20 0 GIADRO CN(C(=O)c1ccccc1N1CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000570755961 823081508 /nfs/dbraw/zinc/08/15/08/823081508.db2.gz LHKHMPLSGHTBLG-OAQYLSRUSA-N 1 0 377.532 4.023 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2coc(-c3ccccc3)n2)CC1 ZINC000120859651 823078558 /nfs/dbraw/zinc/07/85/58/823078558.db2.gz VLGFPUFGBLUMNH-QGZVFWFLSA-N 1 0 375.472 4.297 20 0 GIADRO CO[C@H](C)c1noc(CN2CCCC[C@@H]2Cc2ccccc2Br)n1 ZINC000570744168 823079789 /nfs/dbraw/zinc/07/97/89/823079789.db2.gz FIVNZWLQVLSUOL-UKRRQHHQSA-N 1 0 394.313 4.137 20 0 GIADRO CC1(CC(F)(F)F)CN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000458737715 823080025 /nfs/dbraw/zinc/08/00/25/823080025.db2.gz IXPJNPCOHYJMPW-QGZVFWFLSA-N 1 0 397.485 4.271 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(OC3CCCC3)c(F)c2)[C@H](C)C1 ZINC000120873694 823080511 /nfs/dbraw/zinc/08/05/11/823080511.db2.gz RNEYBGOQAVCYOC-DNVCBOLYSA-N 1 0 377.504 4.341 20 0 GIADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)N1CCC(c2ccccc2F)CC1)c1ccco1 ZINC000570751079 823080815 /nfs/dbraw/zinc/08/08/15/823080815.db2.gz OZCWFQAKYCXZAF-JXFKEZNVSA-N 1 0 387.499 4.437 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCCCC1)N1CCC([C@H]2CCCO2)CC1 ZINC000187526731 823081974 /nfs/dbraw/zinc/08/19/74/823081974.db2.gz NVKSQZAZSYPGCZ-HSZRJFAPSA-N 1 0 399.579 4.163 20 0 GIADRO COc1ccc(C[NH+]2CCC(c3nnc4ccccn43)CC2)cc1OCC(C)C ZINC000120886761 823082374 /nfs/dbraw/zinc/08/23/74/823082374.db2.gz OJYGLQMPNYDHAH-UHFFFAOYSA-N 1 0 394.519 4.152 20 0 GIADRO CCOc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(Oc3cnccn3)cc1)CCO2 ZINC000187548956 823086649 /nfs/dbraw/zinc/08/66/49/823086649.db2.gz UFDHKLPVAWKYSJ-HXUWFJFHSA-N 1 0 377.444 4.281 20 0 GIADRO C[C@@H](Cc1ccccc1F)NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000175959248 823082426 /nfs/dbraw/zinc/08/24/26/823082426.db2.gz HKOZVVISDLGVMQ-SFHVURJKSA-N 1 0 383.511 4.063 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1c(F)ccc(F)c1F ZINC000187529839 823082602 /nfs/dbraw/zinc/08/26/02/823082602.db2.gz OAXDXYXDOYHFFT-INIZCTEOSA-N 1 0 376.422 4.088 20 0 GIADRO Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccc(NC(=O)c3ccco3)cc2)o1 ZINC000120890968 823082782 /nfs/dbraw/zinc/08/27/82/823082782.db2.gz NYUHCPXDJWAWNE-UHFFFAOYSA-N 1 0 376.416 4.113 20 0 GIADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Nc1cc(OC)ccc1Cl ZINC000175967363 823084103 /nfs/dbraw/zinc/08/41/03/823084103.db2.gz PJIKKXKEQBTJMV-UHFFFAOYSA-N 1 0 395.853 4.477 20 0 GIADRO CCn1ncc2ccc(NC(=O)N(Cc3ccccc3)C3CC[NH+](C)CC3)cc21 ZINC000175971598 823085004 /nfs/dbraw/zinc/08/50/04/823085004.db2.gz VZYNQEOLSFZEBI-UHFFFAOYSA-N 1 0 391.519 4.185 20 0 GIADRO COc1ccc2c(c1)CCC[C@@H]2N(C)C(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000570774529 823085622 /nfs/dbraw/zinc/08/56/22/823085622.db2.gz FLOUYMYMDBVMLJ-QHCPKHFHSA-N 1 0 393.531 4.151 20 0 GIADRO Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2cccc(COCC(F)(F)F)c2)o1 ZINC000120911402 823085684 /nfs/dbraw/zinc/08/56/84/823085684.db2.gz PBNQQWLCSQBTBD-UHFFFAOYSA-N 1 0 379.382 4.347 20 0 GIADRO CC(C)OC(=O)c1ccc(Cl)c(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000175974917 823086377 /nfs/dbraw/zinc/08/63/77/823086377.db2.gz WEKPENRAQCAVHT-MQVJKMGUSA-N 1 0 393.915 4.042 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(F)cc1OC1CCCC1 ZINC000120916645 823086309 /nfs/dbraw/zinc/08/63/09/823086309.db2.gz XXVDZZAVCPNMRD-SJORKVTESA-N 1 0 375.488 4.238 20 0 GIADRO CC[C@]1(CO)CCC[N@H+](Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000187546953 823086401 /nfs/dbraw/zinc/08/64/01/823086401.db2.gz SGNBUEMLOOWXBM-SFHVURJKSA-N 1 0 379.298 4.089 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1sc([C@@H](C)OC)nc1C)c1ccsc1 ZINC000175977872 823087207 /nfs/dbraw/zinc/08/72/07/823087207.db2.gz ASMXWHIMBHSDFK-UKRRQHHQSA-N 1 0 381.567 4.033 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(OCc2cccnc2)cc1)C(=O)Nc1cccc(F)c1 ZINC000056144354 823087466 /nfs/dbraw/zinc/08/74/66/823087466.db2.gz JCCHJYFPBDJTCN-DLBZAZTESA-N 1 0 393.462 4.478 20 0 GIADRO FC(F)SCc1ccc(C[NH+]2CCC(c3nnc4ccccn43)CC2)o1 ZINC000120924784 823087546 /nfs/dbraw/zinc/08/75/46/823087546.db2.gz TYMOYHWCAHRLFN-UHFFFAOYSA-N 1 0 378.448 4.158 20 0 GIADRO [NH3+]CCCCC(=O)Nc1ccc(COc2ccc(Br)cc2)cc1 ZINC000570799057 823089096 /nfs/dbraw/zinc/08/90/96/823089096.db2.gz DKXDVRLYAHUGCX-UHFFFAOYSA-N 1 0 377.282 4.096 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)CC1 ZINC000458806090 823089223 /nfs/dbraw/zinc/08/92/23/823089223.db2.gz DKKSRFCOJYLMAA-AQYVVDRMSA-N 1 0 395.522 4.378 20 0 GIADRO COc1cc(C[NH2+]C(C)(C)c2ccc(F)c(F)c2)cc(Br)c1O ZINC000175990059 823090097 /nfs/dbraw/zinc/09/00/97/823090097.db2.gz XVSCXRPKOFIOQL-UHFFFAOYSA-N 1 0 386.236 4.466 20 0 GIADRO CCOc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cc(OC)c(OC)cc2C)cc1 ZINC000056154055 823090359 /nfs/dbraw/zinc/09/03/59/823090359.db2.gz HZDGRIIEGKUSCV-JKSUJKDBSA-N 1 0 386.492 4.089 20 0 GIADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Nc1cc(F)c(F)cc1F ZINC000175990717 823090370 /nfs/dbraw/zinc/09/03/70/823090370.db2.gz BCJYGDYKUAPZAT-UHFFFAOYSA-N 1 0 385.352 4.232 20 0 GIADRO CC1(C(=O)Nc2cc3c(cc2Cl)OCO3)CC[NH+](Cc2ccccc2)CC1 ZINC000187571925 823090468 /nfs/dbraw/zinc/09/04/68/823090468.db2.gz VFKCVPCMJJCBNC-UHFFFAOYSA-N 1 0 386.879 4.310 20 0 GIADRO CCc1ccccc1OCCC(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000570811977 823090486 /nfs/dbraw/zinc/09/04/86/823090486.db2.gz WOIKJEXJXAARLO-SIKLNZKXSA-N 1 0 380.532 4.045 20 0 GIADRO COc1cc(C)c([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(Cl)cc2)cc1OC ZINC000056154163 823090683 /nfs/dbraw/zinc/09/06/83/823090683.db2.gz MHNXUCSHKQYPGF-KBPBESRZSA-N 1 0 376.884 4.343 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccccc2Br)cc1 ZINC000120944827 823090845 /nfs/dbraw/zinc/09/08/45/823090845.db2.gz WXNBWGCVPUKOIH-ZDUSSCGKSA-N 1 0 397.338 4.062 20 0 GIADRO COc1ccc(OC)c(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc(OC(C)C)c2)c1 ZINC000056156957 823091946 /nfs/dbraw/zinc/09/19/46/823091946.db2.gz HYXZPWOGDJKHPX-JKSUJKDBSA-N 1 0 386.492 4.169 20 0 GIADRO CCCOc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(OC)cc2)cc1OC ZINC000056161916 823092886 /nfs/dbraw/zinc/09/28/86/823092886.db2.gz DBHWIQMTSSMURT-HOTGVXAUSA-N 1 0 386.492 4.170 20 0 GIADRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)/C=C/c2ccc[nH]2)CC1 ZINC000187585010 823092958 /nfs/dbraw/zinc/09/29/58/823092958.db2.gz CEEDPAUQSKDBRH-BQYQJAHWSA-N 1 0 391.437 4.170 20 0 GIADRO Cc1cc(C(=O)Nc2nc3c(s2)C[N@@H+](C(C)(C)C)CC3)nn1[C@@H](C)C1CC1 ZINC000570836514 823093579 /nfs/dbraw/zinc/09/35/79/823093579.db2.gz JZYDIEVOKNWVAC-ZDUSSCGKSA-N 1 0 387.553 4.028 20 0 GIADRO Cc1cc(C(=O)Nc2nc3c(s2)C[N@@H+](C(C)(C)C)CC3)nn1[C@H](C)C1CC1 ZINC000570836513 823093622 /nfs/dbraw/zinc/09/36/22/823093622.db2.gz JZYDIEVOKNWVAC-CYBMUJFWSA-N 1 0 387.553 4.028 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)c2ccccc2CSC2=NCCS2)c1 ZINC000176006378 823093832 /nfs/dbraw/zinc/09/38/32/823093832.db2.gz VOAJEUXYZADSKW-UHFFFAOYSA-N 1 0 385.558 4.337 20 0 GIADRO CCc1nnc(-c2ccc(NC(=O)NCCCC[N@@H+]3CCCC[C@@H]3C)cc2)o1 ZINC000176006457 823093857 /nfs/dbraw/zinc/09/38/57/823093857.db2.gz ZAOASVOMLHVTDV-INIZCTEOSA-N 1 0 385.512 4.075 20 0 GIADRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)[C@@H](Sc1ccccc1F)c1ccccc1 ZINC000570841104 823093861 /nfs/dbraw/zinc/09/38/61/823093861.db2.gz BDQCQJONGWHPMP-WDSUHNAZSA-N 1 0 384.520 4.291 20 0 GIADRO COc1c(N[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc(Cl)cc1C(N)=O ZINC000570843021 823094344 /nfs/dbraw/zinc/09/43/44/823094344.db2.gz KGVLSPJFNAYCJT-KRWDZBQOSA-N 1 0 399.922 4.057 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)NCC[C@H](c2ccccc2)C(F)(F)F)CC1 ZINC000458851067 823097793 /nfs/dbraw/zinc/09/77/93/823097793.db2.gz UTGWRMTZDLPPHW-GOSISDBHSA-N 1 0 385.474 4.238 20 0 GIADRO CC[NH+]1CCN(c2ccc(N[C@H](C)C(=O)Nc3cccc(C)c3C)c(C)c2)CC1 ZINC000056170363 823095095 /nfs/dbraw/zinc/09/50/95/823095095.db2.gz MWDQUXJBQNSBRS-HXUWFJFHSA-N 1 0 394.563 4.193 20 0 GIADRO CC(=O)c1ccc(NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1C ZINC000570853088 823095686 /nfs/dbraw/zinc/09/56/86/823095686.db2.gz DXYKWAQHFQRAJH-RTWAWAEBSA-N 1 0 391.515 4.183 20 0 GIADRO Cc1coc(-c2ccc(C)c(NC(=O)NCc3ccc(F)c(C[NH+](C)C)c3)c2)n1 ZINC000120975789 823095774 /nfs/dbraw/zinc/09/57/74/823095774.db2.gz LJHFZVNHPINBSL-UHFFFAOYSA-N 1 0 396.466 4.481 20 0 GIADRO Clc1ccc(C2CC[NH+](Cc3cnc(N4CCOCC4)s3)CC2)cc1 ZINC000187609020 823097347 /nfs/dbraw/zinc/09/73/47/823097347.db2.gz BNCZOURIJNTKNX-UHFFFAOYSA-N 1 0 377.941 4.013 20 0 GIADRO C[N@H+](CCNC(=O)c1sc2ccccc2c1Br)C1CCCC1 ZINC000570860762 823097652 /nfs/dbraw/zinc/09/76/52/823097652.db2.gz GTMLUTFCCHWFEM-UHFFFAOYSA-N 1 0 381.339 4.268 20 0 GIADRO COc1ccc(NC(=O)[C@H]([NH2+]CCCc2nccs2)c2ccccc2)cc1 ZINC000570865473 823098280 /nfs/dbraw/zinc/09/82/80/823098280.db2.gz FUFQUSYZTUEKJS-HXUWFJFHSA-N 1 0 381.501 4.054 20 0 GIADRO C/C(=C/c1ccccc1OC(F)F)C[NH+]1CCC(CC(=O)N2CCCC2)CC1 ZINC000570865298 823098404 /nfs/dbraw/zinc/09/84/04/823098404.db2.gz ZIDMBWVWYAOFDO-VKAVYKQESA-N 1 0 392.490 4.416 20 0 GIADRO Cc1cccnc1[C@@H]([NH2+]CC(=O)NCc1ccc(F)cc1C(F)(F)F)C(C)C ZINC000120992177 823098803 /nfs/dbraw/zinc/09/88/03/823098803.db2.gz LDUUTLSYNODQJE-SFHVURJKSA-N 1 0 397.416 4.151 20 0 GIADRO Cc1nc2ccccn2c(=O)c1CC[NH+]1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000570888385 823102865 /nfs/dbraw/zinc/10/28/65/823102865.db2.gz IGFQYHHSOISDBK-JOCHJYFZSA-N 1 0 397.469 4.107 20 0 GIADRO Cc1c(NC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cccc1OCC(F)(F)F ZINC000176029807 823099773 /nfs/dbraw/zinc/09/97/73/823099773.db2.gz KTPIGDBAFPGYPJ-HNNXBMFYSA-N 1 0 387.446 4.274 20 0 GIADRO CS(=O)(=O)C1(C[NH2+][C@H](Cc2cccc(F)c2)c2cccc(F)c2)CCCC1 ZINC000570873361 823099819 /nfs/dbraw/zinc/09/98/19/823099819.db2.gz FWOBLCYXUMMOOC-HXUWFJFHSA-N 1 0 393.499 4.196 20 0 GIADRO COc1ccc2ccccc2c1C[NH2+][C@@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000121002119 823100743 /nfs/dbraw/zinc/10/07/43/823100743.db2.gz QUJNQSKCYZBTRO-HNNXBMFYSA-N 1 0 384.501 4.071 20 0 GIADRO Cc1cccc(C(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)c1Br ZINC000121003404 823101053 /nfs/dbraw/zinc/10/10/53/823101053.db2.gz KYRVKXOVKBWATQ-UHFFFAOYSA-N 1 0 391.309 4.087 20 0 GIADRO Cc1c(-c2cc(C[NH2+][C@H](C)c3ccc(Oc4cccnc4)cc3)on2)cnn1C ZINC000570882071 823101515 /nfs/dbraw/zinc/10/15/15/823101515.db2.gz JLDGLBORJYPQAE-OAHLLOKOSA-N 1 0 389.459 4.422 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C2(Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000187632001 823101776 /nfs/dbraw/zinc/10/17/76/823101776.db2.gz MELBBWWOKUWHHQ-KRWDZBQOSA-N 1 0 382.470 4.218 20 0 GIADRO CSc1ccc([C@@H](CNC(=O)N(C)[C@@H](C)c2cccc(O)c2)[NH+](C)C)cc1 ZINC000458886248 823102139 /nfs/dbraw/zinc/10/21/39/823102139.db2.gz HLRYDEIBPIZTDO-MGPUTAFESA-N 1 0 387.549 4.119 20 0 GIADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)N[C@H]2CCCc3c(F)cccc32)CC1 ZINC000458891790 823102617 /nfs/dbraw/zinc/10/26/17/823102617.db2.gz VSAIVMYLGUSUCK-NRFANRHFSA-N 1 0 385.483 4.102 20 0 GIADRO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cccc(C(F)(F)F)c1F ZINC000176043297 823104602 /nfs/dbraw/zinc/10/46/02/823104602.db2.gz KABDBQBEXWKFQD-MRXNPFEDSA-N 1 0 394.412 4.139 20 0 GIADRO Cc1noc(COc2ccc(N[C@H]3C[C@H](C)[N@@H+](Cc4ccccc4)C3)cc2)n1 ZINC000121024693 823104606 /nfs/dbraw/zinc/10/46/06/823104606.db2.gz SHMWFPJRZNWXKR-JXFKEZNVSA-N 1 0 378.476 4.032 20 0 GIADRO CC(=O)c1cccc(NC(=O)[C@@H](C)Nc2ccc(CC[NH+]3CCCCC3)cc2)c1 ZINC000056216217 823105622 /nfs/dbraw/zinc/10/56/22/823105622.db2.gz BDGZQNVLDPTQJD-GOSISDBHSA-N 1 0 393.531 4.357 20 0 GIADRO C[N@@H+]1CC[C@H](CSc2nnc(-c3ccc(F)cc3)n2Cc2ccccc2)C1 ZINC000187663409 823108511 /nfs/dbraw/zinc/10/85/11/823108511.db2.gz XFJPGYASYZDTSJ-KRWDZBQOSA-N 1 0 382.508 4.176 20 0 GIADRO c1csc(-c2nnc(SCCC[NH+]3CCCCC3)n2C[C@H]2CCCO2)c1 ZINC000187659461 823107222 /nfs/dbraw/zinc/10/72/22/823107222.db2.gz MGXQSSBEBALRLI-MRXNPFEDSA-N 1 0 392.594 4.154 20 0 GIADRO C[C@@H](C(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1cc2ccccc2o1 ZINC000176059605 823109294 /nfs/dbraw/zinc/10/92/94/823109294.db2.gz RIUHXNSQGKJEQQ-GOSISDBHSA-N 1 0 376.500 4.360 20 0 GIADRO O=C(N[C@H]1CCCC[C@H]1CC(F)(F)F)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000458939998 823109324 /nfs/dbraw/zinc/10/93/24/823109324.db2.gz FHQGXFHQKHICNB-RDJZCZTQSA-N 1 0 375.479 4.158 20 0 GIADRO O=C(CCCc1ccccc1)N[C@H]1CCC[N@H+](Cc2cccc3cc[nH]c32)C1 ZINC000570972557 823113840 /nfs/dbraw/zinc/11/38/40/823113840.db2.gz GLCMDOHYVFZVLQ-QFIPXVFZSA-N 1 0 375.516 4.271 20 0 GIADRO CC(C)Cc1ccc([C@@H](CNC(=O)c2ccncc2C(F)(F)F)[NH+](C)C)cc1 ZINC000570961653 823112228 /nfs/dbraw/zinc/11/22/28/823112228.db2.gz VOJHBMWEYNWUDG-LJQANCHMSA-N 1 0 393.453 4.332 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)c2ccc(-c3nc(C4CC4)no3)cc2)CC1 ZINC000176069879 823112273 /nfs/dbraw/zinc/11/22/73/823112273.db2.gz MLCSEHPZEARQNR-UHFFFAOYSA-N 1 0 396.535 4.198 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](c2ccc(F)c(Cl)c2)C2CC2)C[C@H]1C ZINC000458975186 823112366 /nfs/dbraw/zinc/11/23/66/823112366.db2.gz AROQGAPSUSVNHM-AZOIQLNYSA-N 1 0 381.923 4.444 20 0 GIADRO COc1cc(CNc2ccc(Cl)c(C[N@H+](C)CCO)c2)ccc1OC(C)C ZINC000570963626 823112545 /nfs/dbraw/zinc/11/25/45/823112545.db2.gz MYHDQNFYQBRZDU-UHFFFAOYSA-N 1 0 392.927 4.172 20 0 GIADRO COc1cc(CNc2cc(C[NH+](C)C)ccc2C)cc(OC)c1OCC(F)F ZINC000570963590 823112626 /nfs/dbraw/zinc/11/26/26/823112626.db2.gz MEFFQJMCZKBOCI-UHFFFAOYSA-N 1 0 394.462 4.330 20 0 GIADRO C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC000176072755 823112785 /nfs/dbraw/zinc/11/27/85/823112785.db2.gz CPVIHZJNDCYRNE-ICSRJNTNSA-N 1 0 397.563 4.294 20 0 GIADRO Cc1cccnc1CCCNC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000458985427 823113124 /nfs/dbraw/zinc/11/31/24/823113124.db2.gz GHINNHNUXADMCO-HXUWFJFHSA-N 1 0 386.584 4.009 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@H](C)C[C@@H](O)c2ccc(F)cc2)cc1Cn1cccn1 ZINC000121073581 823113406 /nfs/dbraw/zinc/11/34/06/823113406.db2.gz VDBKDJRRTWPUPS-HYFFOGBASA-N 1 0 397.494 4.242 20 0 GIADRO Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N(C)[C@@H]3CC[N@H+](C)C[C@@H]3C)c12 ZINC000121075057 823113493 /nfs/dbraw/zinc/11/34/93/823113493.db2.gz ONWHKKQTSREMSE-HNAYVOBHSA-N 1 0 399.583 4.030 20 0 GIADRO CCOC(=O)N1CCC([C@H](C)[NH2+][C@H](C)c2ccc(-n3ccnc3C)cc2)CC1 ZINC000187694438 823114732 /nfs/dbraw/zinc/11/47/32/823114732.db2.gz QHMNFBGKJGJBCZ-SJORKVTESA-N 1 0 384.524 4.088 20 0 GIADRO CCN(C(=O)NC[C@@H]1CCOC2(CCC2)C1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000459036613 823119307 /nfs/dbraw/zinc/11/93/07/823119307.db2.gz ZXFZEOXALHSCKV-SJBKTWHCSA-N 1 0 399.579 4.203 20 0 GIADRO C[C@H](C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1cc2ccccc2o1 ZINC000121085443 823115844 /nfs/dbraw/zinc/11/58/44/823115844.db2.gz FGKSGNPYIVCCHG-KRWDZBQOSA-N 1 0 392.499 4.379 20 0 GIADRO O[C@H](COCc1cccs1)C[N@@H+]1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000570989410 823116372 /nfs/dbraw/zinc/11/63/72/823116372.db2.gz AFVORURDTYDPLN-REWPJTCUSA-N 1 0 379.525 4.273 20 0 GIADRO C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2[NH2+]Cc1cc(C(N)=O)co1 ZINC000187711406 823118137 /nfs/dbraw/zinc/11/81/37/823118137.db2.gz HTPHSDFREGOGPJ-BBUKYQEGSA-N 1 0 394.515 4.099 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H]2CCCC2(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000459023930 823118341 /nfs/dbraw/zinc/11/83/41/823118341.db2.gz KPENMRGEBGQNLV-QRQLOZEOSA-N 1 0 379.495 4.116 20 0 GIADRO CCOCCOc1ccc(Cl)cc1NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000176093862 823118428 /nfs/dbraw/zinc/11/84/28/823118428.db2.gz DYAUPYARAVWRHI-QGZVFWFLSA-N 1 0 397.947 4.093 20 0 GIADRO Fc1ccc([C@@H](NCc2ccc(C[NH+]3CCCCC3)cc2)c2ncc[nH]2)cc1 ZINC000187714510 823118782 /nfs/dbraw/zinc/11/87/82/823118782.db2.gz IYEREECATSJFSF-JOCHJYFZSA-N 1 0 378.495 4.414 20 0 GIADRO CCN1CCc2nc(NC(=O)c3cc(-c4ccc(Cl)s4)on3)sc2C1 ZINC000121110427 823120303 /nfs/dbraw/zinc/12/03/03/823120303.db2.gz UBEKTBWWTPBPLV-UHFFFAOYSA-N 1 0 394.909 4.143 20 0 GIADRO Fc1ccc(OCc2noc([C@@H]3CCC[N@H+](Cc4cccc(F)c4)C3)n2)cc1 ZINC000121111320 823120611 /nfs/dbraw/zinc/12/06/11/823120611.db2.gz HJMOMMHYKDIUBL-MRXNPFEDSA-N 1 0 385.414 4.306 20 0 GIADRO O=C(Nc1ccccc1-c1cc(F)c(F)c(F)c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000176103122 823121324 /nfs/dbraw/zinc/12/13/24/823121324.db2.gz DDMLDYMHMFWFJR-HNNXBMFYSA-N 1 0 389.421 4.473 20 0 GIADRO Cc1nc(-c2cccc(NCc3ccccc3N(C)C3CC[NH+](C)CC3)c2)no1 ZINC000121135586 823124527 /nfs/dbraw/zinc/12/45/27/823124527.db2.gz QIDMUDILKILWNB-UHFFFAOYSA-N 1 0 391.519 4.188 20 0 GIADRO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CCC(=O)Nc1ccc2c(c1)OCO2 ZINC000121121581 823122140 /nfs/dbraw/zinc/12/21/40/823122140.db2.gz FDHKRVLSCVPSRB-CQSZACIVSA-N 1 0 389.521 4.325 20 0 GIADRO CC(C)CN(C(=O)NC1CC[NH+](C2CCC2)CC1)[C@H]1CCCc2cccnc21 ZINC000459070847 823123959 /nfs/dbraw/zinc/12/39/59/823123959.db2.gz BLOQVQULEOHXJB-NRFANRHFSA-N 1 0 384.568 4.144 20 0 GIADRO CC1CCN(C(=O)c2ccc(NC(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)cc2)CC1 ZINC000176112779 823124153 /nfs/dbraw/zinc/12/41/53/823124153.db2.gz ULCUZFHIPGCGAC-FQEVSTJZSA-N 1 0 397.563 4.152 20 0 GIADRO CC(C)n1c2ccc(C(=O)N(C)[C@H]3CC[N@H+](C)C[C@@H]3C)cc2nc1C(F)(F)F ZINC000121141357 823125900 /nfs/dbraw/zinc/12/59/00/823125900.db2.gz KLZKSTGEPPDWSK-BBRMVZONSA-N 1 0 396.457 4.048 20 0 GIADRO O=C(Nc1csc(-c2ccncc2)n1)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000571056514 823126250 /nfs/dbraw/zinc/12/62/50/823126250.db2.gz AINIDLDHYWNCKF-UHFFFAOYSA-N 1 0 396.541 4.006 20 0 GIADRO Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1NC(=O)Nc1ccccc1 ZINC000121145265 823126846 /nfs/dbraw/zinc/12/68/46/823126846.db2.gz IJTCBQZRLOYQDH-LAUBAEHRSA-N 1 0 394.519 4.051 20 0 GIADRO CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000459092494 823126882 /nfs/dbraw/zinc/12/68/82/823126882.db2.gz YGTFUAUEFCINJQ-RTBURBONSA-N 1 0 393.597 4.266 20 0 GIADRO COc1sc(C[NH2+]CCc2cc(C(F)(F)F)ccn2)cc1Br ZINC000571065443 823126941 /nfs/dbraw/zinc/12/69/41/823126941.db2.gz XYIWIYDJEAOAPG-UHFFFAOYSA-N 1 0 395.244 4.265 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)N[C@H]2C[C@H](c3cccc(OC)c3)C2)CC1 ZINC000459094284 823127396 /nfs/dbraw/zinc/12/73/96/823127396.db2.gz ZDLFGFVQCWFBRI-MEMLXQNLSA-N 1 0 387.568 4.095 20 0 GIADRO C[C@H](CCCC(F)(F)F)[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000571068262 823127514 /nfs/dbraw/zinc/12/75/14/823127514.db2.gz AUFZLDDWDGBOPC-LLVKDONJSA-N 1 0 391.235 4.241 20 0 GIADRO C[C@H]1C[C@H](NC(=O)CSc2ccc(F)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000176122347 823127653 /nfs/dbraw/zinc/12/76/53/823127653.db2.gz NYSCGDLTMUVHRX-DOTOQJQBSA-N 1 0 390.499 4.226 20 0 GIADRO COc1ccc(-c2cc(C(=O)N3CCC([C@H]4CC[NH2+]C4)CC3)sc2C)cc1 ZINC000571082043 823129119 /nfs/dbraw/zinc/12/91/19/823129119.db2.gz LFAUFPJXUDRVED-SFHVURJKSA-N 1 0 384.545 4.194 20 0 GIADRO C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)c1 ZINC000056332108 823129502 /nfs/dbraw/zinc/12/95/02/823129502.db2.gz MIKQGEWBDYBRNW-VGSWGCGISA-N 1 0 391.515 4.172 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000056332439 823129753 /nfs/dbraw/zinc/12/97/53/823129753.db2.gz OKKFRSBTDAJKFF-UHFFFAOYSA-N 1 0 388.515 4.380 20 0 GIADRO O=C(CCc1nc(-c2cccs2)no1)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000056332454 823129767 /nfs/dbraw/zinc/12/97/67/823129767.db2.gz CNUXGTMUSGYKSR-UHFFFAOYSA-N 1 0 396.516 4.008 20 0 GIADRO O=C(COCc1nc2ccccc2s1)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000056332459 823129800 /nfs/dbraw/zinc/12/98/00/823129800.db2.gz GBPIJSCLAQXBPM-UHFFFAOYSA-N 1 0 395.528 4.090 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)NCCc2ccc(C(F)(F)F)cc2)CC1 ZINC000056343063 823131556 /nfs/dbraw/zinc/13/15/56/823131556.db2.gz HBMXGVCLTCOHRI-UHFFFAOYSA-N 1 0 385.474 4.010 20 0 GIADRO Fc1ccc(-c2nc3c(s2)[C@H]([NH2+]CCOC[C@@H]2CCCO2)CCC3)cc1 ZINC000121190528 823135379 /nfs/dbraw/zinc/13/53/79/823135379.db2.gz LNUKYYNLNHOYMU-DLBZAZTESA-N 1 0 376.497 4.112 20 0 GIADRO O=C(N[C@@H]1CC[C@H](c2cccc(Cl)c2)C1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000459130767 823132286 /nfs/dbraw/zinc/13/22/86/823132286.db2.gz GHZMTZYXOGUVOM-IMFGXOCKSA-N 1 0 375.944 4.103 20 0 GIADRO C[C@H]([NH2+]C[C@H](c1ccccc1Cl)N(C)C)c1ccc(Br)cn1 ZINC000571108077 823133356 /nfs/dbraw/zinc/13/33/56/823133356.db2.gz BFSNLDKJLRUMII-YVEFUNNKSA-N 1 0 382.733 4.451 20 0 GIADRO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)N1CC[NH+](CCc2ccccc2)CC1 ZINC000121180554 823133505 /nfs/dbraw/zinc/13/35/05/823133505.db2.gz UNALUZYLYSPNEB-NRFANRHFSA-N 1 0 393.575 4.306 20 0 GIADRO Cc1c(NC2CCC([N@H+](C)Cc3ccccc3)CC2)cccc1N1CCNC1=O ZINC000571109592 823133531 /nfs/dbraw/zinc/13/35/31/823133531.db2.gz HSVSUOPOHSWVTG-UHFFFAOYSA-N 1 0 392.547 4.380 20 0 GIADRO C[C@@H]([NH2+]CCOc1ccccc1C(F)(F)F)C1CCN(CC(F)(F)F)CC1 ZINC000571109039 823133562 /nfs/dbraw/zinc/13/35/62/823133562.db2.gz KKNGYTVUZGNMCK-CYBMUJFWSA-N 1 0 398.391 4.337 20 0 GIADRO O=C(Nc1ccccc1-c1cccs1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000121182899 823133764 /nfs/dbraw/zinc/13/37/64/823133764.db2.gz KNYYSFDSHMPVSY-PMACEKPBSA-N 1 0 399.560 4.305 20 0 GIADRO COc1ccc(CNC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)cc1OC ZINC000056356172 823135626 /nfs/dbraw/zinc/13/56/26/823135626.db2.gz MQLJJHPPHHIROG-UHFFFAOYSA-N 1 0 397.519 4.054 20 0 GIADRO C[C@@H](NC(=O)N(C)Cc1cn2c(n1)CCCC2)c1ccc(-c2cccnc2)cc1 ZINC000571116049 823134477 /nfs/dbraw/zinc/13/44/77/823134477.db2.gz RVKSXKOQFRJZRY-QGZVFWFLSA-N 1 0 389.503 4.184 20 0 GIADRO Cc1cc(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)cc(C)c1OCc1ccccn1 ZINC000121188606 823134931 /nfs/dbraw/zinc/13/49/31/823134931.db2.gz UCVJPEWRNZCLOU-FQEVSTJZSA-N 1 0 376.504 4.380 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccccc2O[C@H](C)C(F)(F)F)C[C@@H]1C ZINC000571123382 823135765 /nfs/dbraw/zinc/13/57/65/823135765.db2.gz VDRBDXDHLIDJQT-ZNMIVQPWSA-N 1 0 387.446 4.353 20 0 GIADRO COc1ccc2c(c1)[C@@H]([NH2+]C1CCN(Cc3ccncc3)CC1)CCCS2 ZINC000187796191 823135061 /nfs/dbraw/zinc/13/50/61/823135061.db2.gz RQKCLFVNNYKTKQ-NRFANRHFSA-N 1 0 383.561 4.271 20 0 GIADRO C[C@@H](c1cccc(Cl)c1)N(C)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000056360506 823136095 /nfs/dbraw/zinc/13/60/95/823136095.db2.gz UXMQTCJKVCMDKC-MAUKXSAKSA-N 1 0 375.900 4.473 20 0 GIADRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)Nc2ccc(OCc3ccccc3)cc2C)C1(C)C ZINC000187799641 823136145 /nfs/dbraw/zinc/13/61/45/823136145.db2.gz PJVDMVPPEYQKMN-NFBKMPQASA-N 1 0 382.504 4.045 20 0 GIADRO C[N@H+](CCCCNC(=O)N(CCc1ccc(F)cc1)C1CCCC1)C1CC1 ZINC000459166115 823136934 /nfs/dbraw/zinc/13/69/34/823136934.db2.gz SPZFKOLTRDDGKL-UHFFFAOYSA-N 1 0 375.532 4.197 20 0 GIADRO CC[C@H](NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)c1nc(C)cs1 ZINC000176151012 823136950 /nfs/dbraw/zinc/13/69/50/823136950.db2.gz OIBXZNXCOYYSBO-IBGZPJMESA-N 1 0 386.565 4.209 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000187804917 823137376 /nfs/dbraw/zinc/13/73/76/823137376.db2.gz KOCQJFTZVPSZRV-MRXNPFEDSA-N 1 0 394.412 4.439 20 0 GIADRO CCOc1ccc(CNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)cc1F ZINC000176153650 823137696 /nfs/dbraw/zinc/13/76/96/823137696.db2.gz YNYOWHCDJAEHML-UHFFFAOYSA-N 1 0 399.510 4.030 20 0 GIADRO C[N@H+](CCCCNC(=O)N(Cc1cc(F)ccc1F)C1CCCC1)C1CC1 ZINC000459172393 823137734 /nfs/dbraw/zinc/13/77/34/823137734.db2.gz YRBGNLPHOOGHOG-UHFFFAOYSA-N 1 0 379.495 4.293 20 0 GIADRO C[C@H](NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)[C@@H]1CCC[C@@H](C)C1 ZINC000459179528 823138905 /nfs/dbraw/zinc/13/89/05/823138905.db2.gz XBRRHHKMXGFBLJ-OWCLPIDISA-N 1 0 377.495 4.259 20 0 GIADRO COc1cc(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)c(-c2ccccc2)cc1OC ZINC000121205132 823138238 /nfs/dbraw/zinc/13/82/38/823138238.db2.gz VKTKHXZTQUOYJI-SFHVURJKSA-N 1 0 377.488 4.474 20 0 GIADRO C/C(=C/c1ccccc1OC(F)F)C[N@H+](Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000571132147 823138281 /nfs/dbraw/zinc/13/82/81/823138281.db2.gz ZTTQNCNEZLYEMP-QINSGFPZSA-N 1 0 386.442 4.455 20 0 GIADRO CCN(Cc1ccc(OC)cc1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000056373369 823138910 /nfs/dbraw/zinc/13/89/10/823138910.db2.gz ZIBUYMGRDXKMPV-UHFFFAOYSA-N 1 0 395.547 4.413 20 0 GIADRO O=C(C[NH2+]C1(Cc2ccccc2)CCOCC1)Nc1cc(Cl)ccc1Cl ZINC000571136194 823139355 /nfs/dbraw/zinc/13/93/55/823139355.db2.gz WKQIFCNHZAROLN-UHFFFAOYSA-N 1 0 393.314 4.313 20 0 GIADRO COc1cc(OC)c([C@@H](C)[NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)cc1Cl ZINC000571137829 823139763 /nfs/dbraw/zinc/13/97/63/823139763.db2.gz WCGWEEZGFDPHLS-ARGWCVDVSA-N 1 0 376.884 4.323 20 0 GIADRO Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]C[C@@H](O)c1ccccc1F ZINC000121222456 823141566 /nfs/dbraw/zinc/14/15/66/823141566.db2.gz PTCZNAJUGIYPHS-OAQYLSRUSA-N 1 0 387.886 4.164 20 0 GIADRO Cc1cc(F)ccc1-c1ccc(C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1F ZINC000571163703 823142922 /nfs/dbraw/zinc/14/29/22/823142922.db2.gz GZYSVCQLLSUIQF-MSOLQXFVSA-N 1 0 384.470 4.402 20 0 GIADRO O=C(NCc1ccc2c[nH+]cn2c1)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000459215124 823145927 /nfs/dbraw/zinc/14/59/27/823145927.db2.gz RQPQKXVOZQJYCA-SFHVURJKSA-N 1 0 399.292 4.144 20 0 GIADRO O=C(NCc1ccc2c[nH+]cn2c1)N(Cc1ccccc1C(F)(F)F)C1CC1 ZINC000459208725 823144598 /nfs/dbraw/zinc/14/45/98/823144598.db2.gz GNYRCZXLPMINJU-UHFFFAOYSA-N 1 0 388.393 4.227 20 0 GIADRO Cc1ccc(CNC(=O)c2cccc(C[NH2+][C@@H](C)c3cccc(CO)c3)c2)cc1 ZINC000121247725 823146939 /nfs/dbraw/zinc/14/69/39/823146939.db2.gz NMQPBZXPQPAOPW-IBGZPJMESA-N 1 0 388.511 4.268 20 0 GIADRO CC(C)[C@H](CNC(=O)C1(c2cccnc2)CCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000571197240 823147170 /nfs/dbraw/zinc/14/71/70/823147170.db2.gz UHJZVGWMWASBFV-QHCPKHFHSA-N 1 0 391.559 4.093 20 0 GIADRO Cc1ccc(CNC(=O)c2cccc(C[NH2+][C@H](C)c3cccc(CO)c3)c2)cc1 ZINC000121247875 823147158 /nfs/dbraw/zinc/14/71/58/823147158.db2.gz NMQPBZXPQPAOPW-LJQANCHMSA-N 1 0 388.511 4.268 20 0 GIADRO CCc1ccc(CNC(=O)C[NH2+][C@H](C)c2ccc(Oc3cccnc3)cc2)s1 ZINC000571201132 823147755 /nfs/dbraw/zinc/14/77/55/823147755.db2.gz IOKDPSLWOCXMKL-MRXNPFEDSA-N 1 0 395.528 4.465 20 0 GIADRO COc1cc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)ccc1OCc1cccs1 ZINC000121255122 823148741 /nfs/dbraw/zinc/14/87/41/823148741.db2.gz ZCYSERFHMCHSMS-QGZVFWFLSA-N 1 0 383.517 4.438 20 0 GIADRO CCOc1ccccc1CN(C)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000056441366 823149752 /nfs/dbraw/zinc/14/97/52/823149752.db2.gz GDPNFDBLBDRLAY-UHFFFAOYSA-N 1 0 399.510 4.030 20 0 GIADRO CCN(C(=O)NCc1ccc(C)c(C)n1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000459244536 823150835 /nfs/dbraw/zinc/15/08/35/823150835.db2.gz UCLQWNGJLNVFIS-DENIHFKCSA-N 1 0 380.536 4.065 20 0 GIADRO C[N@H+](CCCO[C@@H]1CCCCO1)[C@H]1CCOc2ccc(Br)cc21 ZINC000571228202 823151856 /nfs/dbraw/zinc/15/18/56/823151856.db2.gz WUAKVQMOCXWHGW-FUHWJXTLSA-N 1 0 384.314 4.138 20 0 GIADRO Cc1coc(-c2ccc(C)c(NC(=O)NC[C@H](Cc3ccccc3)[NH+](C)C)c2)n1 ZINC000121271473 823152494 /nfs/dbraw/zinc/15/24/94/823152494.db2.gz ZBGQHVIKHQTXNY-FQEVSTJZSA-N 1 0 392.503 4.253 20 0 GIADRO COc1c(F)cc(NC(=O)N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)cc1F ZINC000571233805 823152755 /nfs/dbraw/zinc/15/27/55/823152755.db2.gz DWPKCNVHZIWUSX-FZKQIMNGSA-N 1 0 377.435 4.095 20 0 GIADRO CC(C)Oc1ccc([C@H](CNC(=O)c2cccc3ncccc32)[NH+](C)C)cc1 ZINC000571234127 823152825 /nfs/dbraw/zinc/15/28/25/823152825.db2.gz MTEVVTYEQSLBAF-QFIPXVFZSA-N 1 0 377.488 4.055 20 0 GIADRO CCC[N@H+](C)[C@@H](CNC(=O)C(C)(C)c1c(C)noc1C)c1ccc(Cl)cc1 ZINC000571234375 823153069 /nfs/dbraw/zinc/15/30/69/823153069.db2.gz ZTOMMJVYFRDKGN-SFHVURJKSA-N 1 0 391.943 4.422 20 0 GIADRO C[C@@H]([NH2+]C[C@H]1COc2ccccc21)c1ccccc1I ZINC000571239534 823153756 /nfs/dbraw/zinc/15/37/56/823153756.db2.gz GQZSWAFEKBXLNP-OLZOCXBDSA-N 1 0 379.241 4.118 20 0 GIADRO COc1cncc(C[NH2+][C@@H](Cc2ccc(OC)c(OC)c2)c2ccccc2)c1 ZINC000571239616 823153869 /nfs/dbraw/zinc/15/38/69/823153869.db2.gz GZOOTZPCMWTUEY-NRFANRHFSA-N 1 0 378.472 4.181 20 0 GIADRO COc1ccc(F)cc1CNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000187904569 823155717 /nfs/dbraw/zinc/15/57/17/823155717.db2.gz NBOPTQOWKBDRCA-UTKZUKDTSA-N 1 0 399.510 4.029 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NCc1ccc(CSC(F)F)o1 ZINC000121305475 823159523 /nfs/dbraw/zinc/15/95/23/823159523.db2.gz WFCCBNNFQDFLPT-UHFFFAOYSA-N 1 0 381.492 4.408 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)NCC(C)(F)F)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000571279080 823159675 /nfs/dbraw/zinc/15/96/75/823159675.db2.gz XDURUAOOOQFQBQ-DZGCQCFKSA-N 1 0 393.400 4.043 20 0 GIADRO c1c(CN2CCC[C@H]([NH+]3CCCC3)C2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459317238 823160303 /nfs/dbraw/zinc/16/03/03/823160303.db2.gz BNVFMZIQSIQSFZ-NRFANRHFSA-N 1 0 379.552 4.120 20 0 GIADRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](c1ccc(Br)cc1Cl)C1CC1)CC2 ZINC000187934909 823160547 /nfs/dbraw/zinc/16/05/47/823160547.db2.gz LRPWFYKWGSCRRM-GUYCJALGSA-N 1 0 395.732 4.058 20 0 GIADRO C[N@@H+]1CCC[C@@H](CCNC(=O)N2CCC(F)(c3ccc(Cl)cc3)CC2)C1 ZINC000459319142 823160838 /nfs/dbraw/zinc/16/08/38/823160838.db2.gz RLPWVUOHCVBTJR-INIZCTEOSA-N 1 0 381.923 4.042 20 0 GIADRO COc1cccc([C@H](CNC(=O)N([C@H](C)c2ccco2)C2CC2)[NH+]2CCCC2)c1 ZINC000121312595 823161004 /nfs/dbraw/zinc/16/10/04/823161004.db2.gz QSKCBCHGDFZZLT-UTKZUKDTSA-N 1 0 397.519 4.360 20 0 GIADRO CCC[C@H](NC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccn2)CC1)C1CCCC1 ZINC000459320927 823160977 /nfs/dbraw/zinc/16/09/77/823160977.db2.gz QGXMUVWSIGVKJE-YADHBBJMSA-N 1 0 386.584 4.436 20 0 GIADRO CCC[C@@H](NC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccn2)CC1)C1CCCC1 ZINC000459320925 823161059 /nfs/dbraw/zinc/16/10/59/823161059.db2.gz QGXMUVWSIGVKJE-FGZHOGPDSA-N 1 0 386.584 4.436 20 0 GIADRO COc1ccc(CC[C@H]2CCCC[N@@H+]2Cc2cnc(C3CC3)nc2)cc1OC ZINC000459326807 823161762 /nfs/dbraw/zinc/16/17/62/823161762.db2.gz NLCRZLAPQAAPMI-HXUWFJFHSA-N 1 0 381.520 4.359 20 0 GIADRO COc1ccc(CC[C@@H]2CCCC[N@@H+]2Cc2cnc(C3CC3)nc2)cc1OC ZINC000459326804 823161805 /nfs/dbraw/zinc/16/18/05/823161805.db2.gz NLCRZLAPQAAPMI-FQEVSTJZSA-N 1 0 381.520 4.359 20 0 GIADRO CC(C)CC[NH+]1CCC(CNC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)CC1 ZINC000176261186 823166006 /nfs/dbraw/zinc/16/60/06/823166006.db2.gz OTFTVDIKMFDBNI-UHFFFAOYSA-N 1 0 396.535 4.102 20 0 GIADRO c1cn2c(CN3CC[C@@]4(CC[N@H+](Cc5ccccc5)C4)C3)c(C3CC3)nc2s1 ZINC000571328725 823166063 /nfs/dbraw/zinc/16/60/63/823166063.db2.gz SDWFWZXQYJOEAS-HSZRJFAPSA-N 1 0 392.572 4.371 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)C/C=C/c3cccc(F)c3)CC2)cc1 ZINC000176252871 823163447 /nfs/dbraw/zinc/16/34/47/823163447.db2.gz SNFUASDFSUGEDO-HWKANZROSA-N 1 0 396.506 4.266 20 0 GIADRO OCCC[N@H+](Cc1cn(C2CCCC2)nc1-c1ccccn1)Cc1ccccc1 ZINC000459335047 823163712 /nfs/dbraw/zinc/16/37/12/823163712.db2.gz HANRIKVSEKXLGH-UHFFFAOYSA-N 1 0 390.531 4.445 20 0 GIADRO CC(C)(C)[N@@H+]1CCc2nc(NC(=O)c3cccc([C@@H]4CCCOC4)c3)sc2C1 ZINC000571315467 823164191 /nfs/dbraw/zinc/16/41/91/823164191.db2.gz DRDBGJJYNIQPEB-QGZVFWFLSA-N 1 0 399.560 4.446 20 0 GIADRO CC1CC[NH+](CCc2cccc(NC(=O)N[C@@H](C3CC3)C(F)(F)F)c2)CC1 ZINC000571322449 823165038 /nfs/dbraw/zinc/16/50/38/823165038.db2.gz LCZPKHYPXNBYRL-SFHVURJKSA-N 1 0 383.458 4.423 20 0 GIADRO C[C@H]1CN(c2ccccc2C[N@@H+](Cc2ccccc2)CC2CCOCC2)CCO1 ZINC000459342019 823165420 /nfs/dbraw/zinc/16/54/20/823165420.db2.gz GRZOSJQGWCXZDU-NRFANRHFSA-N 1 0 394.559 4.341 20 0 GIADRO Cc1nccnc1[C@@H](C)[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000188011269 823171610 /nfs/dbraw/zinc/17/16/10/823171610.db2.gz SZPADDHPRQNSLJ-CQSZACIVSA-N 1 0 379.335 4.407 20 0 GIADRO C[C@H](C(=O)NCc1ccc(C[NH+](C)C)c(F)c1)c1ccc(Br)cc1 ZINC000121347439 823167672 /nfs/dbraw/zinc/16/76/72/823167672.db2.gz WHZPGHMHXOOWQL-ZDUSSCGKSA-N 1 0 393.300 4.070 20 0 GIADRO Cc1nccnc1[C@@H](C)[NH2+]CCSCCOc1cccc(Br)c1 ZINC000187999315 823169457 /nfs/dbraw/zinc/16/94/57/823169457.db2.gz QROVVLIRXDCHIV-CQSZACIVSA-N 1 0 396.354 4.010 20 0 GIADRO COc1ccc(-c2ccccc2C)cc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000459361671 823171903 /nfs/dbraw/zinc/17/19/03/823171903.db2.gz PNIZDPQSRIDTBC-SIKLNZKXSA-N 1 0 378.516 4.161 20 0 GIADRO Cc1coc2ccc(NC(=O)NCc3ccccc3C[NH+]3CCC(O)CC3)cc12 ZINC000188013089 823171929 /nfs/dbraw/zinc/17/19/29/823171929.db2.gz AZJUQNRSILQLGR-UHFFFAOYSA-N 1 0 393.487 4.020 20 0 GIADRO Cc1cc(C[N@@H+](Cc2ccccc2)C[C@]2(O)CCO[C@@H]2C)cc2cccnc12 ZINC000571364670 823171953 /nfs/dbraw/zinc/17/19/53/823171953.db2.gz CRCVTAPEQZJGAQ-NTKDMRAZSA-N 1 0 376.500 4.085 20 0 GIADRO CN(C)[C@H](C[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1)c1ccco1 ZINC000459360063 823171303 /nfs/dbraw/zinc/17/13/03/823171303.db2.gz DVNFJIYPPOIFQT-HXUWFJFHSA-N 1 0 379.508 4.046 20 0 GIADRO O=C1C[C@H]([C@H]2CCCC[N@@H+]2C/C=C\c2ccc(OCc3ccccc3)cc2)CN1 ZINC000459360472 823171519 /nfs/dbraw/zinc/17/15/19/823171519.db2.gz OHXFXJFONIWUBL-KNHPQIFXSA-N 1 0 390.527 4.269 20 0 GIADRO O=[S@](Cc1cccc(NC2CCN(c3cc[nH+]cc3)CC2)c1)c1ccccc1 ZINC000459362532 823172240 /nfs/dbraw/zinc/17/22/40/823172240.db2.gz QAKLTKMDZLATGD-MUUNZHRXSA-N 1 0 391.540 4.470 20 0 GIADRO O=C(N[C@H](c1ccccc1)[C@H]1CCCO1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176304572 823177089 /nfs/dbraw/zinc/17/70/89/823177089.db2.gz FWGNFQKGMIWCKT-FGZHOGPDSA-N 1 0 385.552 4.003 20 0 GIADRO Cc1cccc([C@H]2CCCN2C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(C)c2)c1 ZINC000056576277 823173321 /nfs/dbraw/zinc/17/33/21/823173321.db2.gz VXYKDAQGGSTZPG-HSZRJFAPSA-N 1 0 392.547 4.424 20 0 GIADRO Cc1cnc([C@@H](C)C[NH2+]C[C@H](O)COc2ccc(-c3ccccc3)cc2)s1 ZINC000571397464 823177180 /nfs/dbraw/zinc/17/71/80/823177180.db2.gz DNNIODLACOGHJH-JXFKEZNVSA-N 1 0 382.529 4.252 20 0 GIADRO C[C@H]1CN(c2ccccc2C[NH2+]Cc2cc(F)cc(Br)c2)CCO1 ZINC000459366066 823173750 /nfs/dbraw/zinc/17/37/50/823173750.db2.gz CTXKOSKDSKQKLU-AWEZNQCLSA-N 1 0 393.300 4.103 20 0 GIADRO Cc1cc(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)c(F)cc1F ZINC000176291829 823173850 /nfs/dbraw/zinc/17/38/50/823173850.db2.gz OGGJSRVSZGVUHP-UHFFFAOYSA-N 1 0 391.437 4.195 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)NCC2(c3cccc(F)c3)CC2)CC1 ZINC000176293590 823174750 /nfs/dbraw/zinc/17/47/50/823174750.db2.gz XOHAOZQHDHOSSF-UHFFFAOYSA-N 1 0 395.522 4.163 20 0 GIADRO CCOc1cc(CCC[NH2+][C@H](c2ncc[nH]2)c2ccc(F)cc2)ccc1OC ZINC000188038364 823175347 /nfs/dbraw/zinc/17/53/47/823175347.db2.gz NLGDSPMZSZVTSR-NRFANRHFSA-N 1 0 383.467 4.268 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)cc1C ZINC000056588956 823175551 /nfs/dbraw/zinc/17/55/51/823175551.db2.gz DGFPRSCNSPPJNY-UHFFFAOYSA-N 1 0 386.540 4.073 20 0 GIADRO c1c(C[N@@H+]2CCC[C@]3(CCCOC3)C2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459376066 823176578 /nfs/dbraw/zinc/17/65/78/823176578.db2.gz NMSOQLMYSZZXCZ-QHCPKHFHSA-N 1 0 380.536 4.453 20 0 GIADRO Cc1c([C@H](C)[NH2+]Cc2ccc(Br)c(Br)c2)cnn1C ZINC000124520201 823603056 /nfs/dbraw/zinc/60/30/56/823603056.db2.gz ADFUEOXRRDCHDM-VIFPVBQESA-N 1 0 387.119 4.104 20 0 GIADRO COc1ccc(OC)c(C[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)c1 ZINC000459383574 823178833 /nfs/dbraw/zinc/17/88/33/823178833.db2.gz GGMROXSPNYFEBJ-UHFFFAOYSA-N 1 0 392.503 4.367 20 0 GIADRO C[C@@H](C[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1)N1CCCC[C@@H]1C ZINC000459384221 823179318 /nfs/dbraw/zinc/17/93/18/823179318.db2.gz YVJBENAPPVHVSA-OALUTQOASA-N 1 0 381.568 4.413 20 0 GIADRO CC(C)(CC[NH+]1CCCCCC1)NS(=O)(=O)Cc1ccc(C(F)F)cc1 ZINC000571421303 823180444 /nfs/dbraw/zinc/18/04/44/823180444.db2.gz MFQCODMBYUMKQH-UHFFFAOYSA-N 1 0 388.524 4.088 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCc1ccccc1N1CCCC1 ZINC000056611638 823180932 /nfs/dbraw/zinc/18/09/32/823180932.db2.gz CEGXJJKAWDAZPB-UHFFFAOYSA-N 1 0 394.563 4.126 20 0 GIADRO O=C(Nc1nnc(-c2ccsc2)s1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176318640 823180976 /nfs/dbraw/zinc/18/09/76/823180976.db2.gz SZRJCLCDCPMKLB-UHFFFAOYSA-N 1 0 391.566 4.185 20 0 GIADRO Cc1ccc(-c2nc(CC[NH2+]Cc3ccccc3N3CCO[C@@H](C)C3)co2)cc1 ZINC000459393255 823181732 /nfs/dbraw/zinc/18/17/32/823181732.db2.gz FKJFYYGGASUECZ-IBGZPJMESA-N 1 0 391.515 4.207 20 0 GIADRO COc1ccc2c(c1)oc(C(=O)N1CCC3(CC[NH2+]3)CC1)c2-c1ccccc1 ZINC000571431724 823181970 /nfs/dbraw/zinc/18/19/70/823181970.db2.gz OEJNORWHYGGJCD-UHFFFAOYSA-N 1 0 376.456 4.077 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CC[C@@H](c3cccnc3)C2)cc1 ZINC000571436146 823182236 /nfs/dbraw/zinc/18/22/36/823182236.db2.gz QZUDIXUWXYDGNF-AUSIDOKSSA-N 1 0 392.547 4.155 20 0 GIADRO O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)N1CCC[C@@H]1c1ccccn1 ZINC000056623504 823184005 /nfs/dbraw/zinc/18/40/05/823184005.db2.gz QMXDCNCNMJSKRR-RTWAWAEBSA-N 1 0 398.938 4.419 20 0 GIADRO [NH3+]CC[C@@H]1CCCCN1C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 ZINC000571449246 823184223 /nfs/dbraw/zinc/18/42/23/823184223.db2.gz OMZHYOVHEGJSTJ-LBPRGKRZSA-N 1 0 384.332 4.460 20 0 GIADRO Cc1cc(Br)ccc1C[NH2+]Cc1ccccc1N1CCO[C@H](C)C1 ZINC000459419760 823188601 /nfs/dbraw/zinc/18/86/01/823188601.db2.gz XBNQKGCTRIFIRJ-MRXNPFEDSA-N 1 0 389.337 4.272 20 0 GIADRO C[C@@H]1CN(Cc2cccc(NC(=O)c3c(F)cccc3Cl)c2)C[C@H](C)O1 ZINC000121440326 823184907 /nfs/dbraw/zinc/18/49/07/823184907.db2.gz GHBCORADKCBWKJ-OKILXGFUSA-N 1 0 376.859 4.341 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCCc2ccc(S(N)(=O)=O)cc21)c1cccc2ccccc21 ZINC000571453969 823185334 /nfs/dbraw/zinc/18/53/34/823185334.db2.gz MVDHKFWOZSDYDD-QRQCRPRQSA-N 1 0 380.513 4.215 20 0 GIADRO C[C@H]([NH2+][C@H]1CCCc2ccc(S(N)(=O)=O)cc21)c1cccc2ccccc21 ZINC000571453967 823185343 /nfs/dbraw/zinc/18/53/43/823185343.db2.gz MVDHKFWOZSDYDD-NYHFZMIOSA-N 1 0 380.513 4.215 20 0 GIADRO Clc1ccc(CN2CCC([NH2+]C3CCN(C4CC4)CC3)CC2)cc1Cl ZINC000459405060 823185569 /nfs/dbraw/zinc/18/55/69/823185569.db2.gz ATRICZBEMZEGFO-UHFFFAOYSA-N 1 0 382.379 4.174 20 0 GIADRO Cc1cccc(C)c1NC(=O)C[NH2+][C@@H](C)Cc1ccc(Br)cc1 ZINC000188097261 823185703 /nfs/dbraw/zinc/18/57/03/823185703.db2.gz JNBKAVPRATVEFX-HNNXBMFYSA-N 1 0 375.310 4.225 20 0 GIADRO C[C@@H]([NH2+]C[C@H](c1cccs1)N1CCCC1)c1cncc(Br)c1 ZINC000571463728 823186455 /nfs/dbraw/zinc/18/64/55/823186455.db2.gz IIWFUHIJSMTYRX-CZUORRHYSA-N 1 0 380.355 4.393 20 0 GIADRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]Cc3cc(=O)[nH]c(C4CC4)n3)s2)cc1 ZINC000459409611 823186630 /nfs/dbraw/zinc/18/66/30/823186630.db2.gz RCWORPWRVHQLLH-GFCCVEGCSA-N 1 0 396.516 4.351 20 0 GIADRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]Cc3cc(=O)[nH]c(C4CC4)n3)s2)cc1 ZINC000459409620 823186727 /nfs/dbraw/zinc/18/67/27/823186727.db2.gz RCWORPWRVHQLLH-LBPRGKRZSA-N 1 0 396.516 4.351 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+]C2CCC(c3nc(C)no3)CC2)[C@H]1Sc1ccccc1 ZINC000459420715 823188882 /nfs/dbraw/zinc/18/88/82/823188882.db2.gz IGUORDSRRVESMS-SSYYCLFMSA-N 1 0 387.549 4.332 20 0 GIADRO Cc1csc([C@@H](NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)C2CC2)n1 ZINC000176341317 823187304 /nfs/dbraw/zinc/18/73/04/823187304.db2.gz WZMVNUOFEFGBEV-FQEVSTJZSA-N 1 0 398.576 4.209 20 0 GIADRO COc1cc(C[N@H+](C)Cc2ccc(-n3ccnc3)cc2C)ccc1OC(F)F ZINC000571468722 823187474 /nfs/dbraw/zinc/18/74/74/823187474.db2.gz CBYATCJUHDEQAE-UHFFFAOYSA-N 1 0 387.430 4.423 20 0 GIADRO Cc1cnc([C@H](NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)C2CC2)s1 ZINC000176343873 823187938 /nfs/dbraw/zinc/18/79/38/823187938.db2.gz RTYCXGZCYRWQGD-HXUWFJFHSA-N 1 0 398.576 4.209 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC000459416881 823188084 /nfs/dbraw/zinc/18/80/84/823188084.db2.gz SZOLJEKZAZBJGG-UHFFFAOYSA-N 1 0 385.455 4.449 20 0 GIADRO Clc1ccc(CN2CCC([NH2+][C@H](c3nnc[nH]3)C3CCCCC3)CC2)cc1 ZINC000571473060 823188115 /nfs/dbraw/zinc/18/81/15/823188115.db2.gz SNOOMACCLNIKPZ-FQEVSTJZSA-N 1 0 387.959 4.334 20 0 GIADRO CC(C)[C@@H](NC(=O)N(CC[NH+](C)C)Cc1cccs1)c1nc2ccccc2[nH]1 ZINC000176344230 823188141 /nfs/dbraw/zinc/18/81/41/823188141.db2.gz NUWWAVBBTIRSFT-LJQANCHMSA-N 1 0 399.564 4.095 20 0 GIADRO C[C@@H]1CN(c2ccccc2C[NH2+]Cc2cc(Cl)ccc2OC(F)F)CCO1 ZINC000459417554 823188233 /nfs/dbraw/zinc/18/82/33/823188233.db2.gz HWBMTKQHWVTGEZ-CQSZACIVSA-N 1 0 396.865 4.456 20 0 GIADRO CCOc1cc(C[NH2+][C@@H](COC)c2ccccc2)cc(Br)c1O ZINC000459422542 823189192 /nfs/dbraw/zinc/18/91/92/823189192.db2.gz YLDQPWMFFANTPF-INIZCTEOSA-N 1 0 380.282 4.031 20 0 GIADRO OCCC1(C[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)CCCCC1 ZINC000459422700 823189304 /nfs/dbraw/zinc/18/93/04/823189304.db2.gz IXGAIRCFABSPEJ-UHFFFAOYSA-N 1 0 382.552 4.483 20 0 GIADRO CCSc1cccc(F)c1NC(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000571486917 823190159 /nfs/dbraw/zinc/19/01/59/823190159.db2.gz KHVKXKNLRYONKN-UHFFFAOYSA-N 1 0 391.512 4.200 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)Nc1ccc2nc(C3CC3)oc2c1 ZINC000459430102 823190525 /nfs/dbraw/zinc/19/05/25/823190525.db2.gz CWMUMHZUZQIJAH-UHFFFAOYSA-N 1 0 384.505 4.362 20 0 GIADRO CCc1nn(-c2ccccc2)c(CC)c1C[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000571491362 823191071 /nfs/dbraw/zinc/19/10/71/823191071.db2.gz ZVOKDEWNNKAVJI-UHFFFAOYSA-N 1 0 395.469 4.323 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)Nc2ccc3c(c2)OC(CC)(CC)O3)CC1 ZINC000188136263 823192030 /nfs/dbraw/zinc/19/20/30/823192030.db2.gz KWMGDXRAVGQYGE-UHFFFAOYSA-N 1 0 375.513 4.312 20 0 GIADRO CCOc1ccc(-c2noc([C@@H]3CCC[N@H+](Cc4cccnc4)C3)n2)cc1F ZINC000571496282 823192326 /nfs/dbraw/zinc/19/23/26/823192326.db2.gz YEAGLEMKPVWKDO-QGZVFWFLSA-N 1 0 382.439 4.049 20 0 GIADRO CCOc1cc(C[NH2+]Cc2ccc(C)cc2OCCOC)cc(Cl)c1O ZINC000459440284 823192404 /nfs/dbraw/zinc/19/24/04/823192404.db2.gz XEPFHBUNNSAOKP-UHFFFAOYSA-N 1 0 379.884 4.068 20 0 GIADRO CCOc1cc(CNC2CC[NH+](C3CCCC3)CC2)cc(Br)c1O ZINC000459441813 823192703 /nfs/dbraw/zinc/19/27/03/823192703.db2.gz OYZDGRJXHXWQCI-UHFFFAOYSA-N 1 0 397.357 4.050 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNCc2cccc(O)c2Br)[C@H]1c1cccs1 ZINC000459441452 823192747 /nfs/dbraw/zinc/19/27/47/823192747.db2.gz VZSLTQWYRVNUCI-KSSFIOAISA-N 1 0 395.366 4.389 20 0 GIADRO C[C@H](NC(=O)NC1CC[NH+](CC2CCCC2)CC1)c1cccc(N2CCCC2)c1 ZINC000176371873 823193217 /nfs/dbraw/zinc/19/32/17/823193217.db2.gz NIGWJATUHMVRJH-IBGZPJMESA-N 1 0 398.595 4.302 20 0 GIADRO CC(C)C(=O)c1ccc([C@@H](C)C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000571504800 823193270 /nfs/dbraw/zinc/19/32/70/823193270.db2.gz VMNCYOODMIRYDF-AUSIDOKSSA-N 1 0 392.543 4.410 20 0 GIADRO COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)[N@H+](C)CCc1ccncc1 ZINC000121488872 823193656 /nfs/dbraw/zinc/19/36/56/823193656.db2.gz XUQHUHAFXNUPOP-HSZRJFAPSA-N 1 0 389.499 4.253 20 0 GIADRO Cc1c(F)cccc1NC(=O)CC[NH2+]CCc1ccc(F)c(Br)c1 ZINC000571512936 823194328 /nfs/dbraw/zinc/19/43/28/823194328.db2.gz VDVFFOQGUDSFMQ-UHFFFAOYSA-N 1 0 397.263 4.197 20 0 GIADRO COc1cc(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)cc(Cl)c1OCCC(C)C ZINC000571514991 823194908 /nfs/dbraw/zinc/19/49/08/823194908.db2.gz IJYXZHGWPRFMFN-GDBMZVCRSA-N 1 0 382.932 4.021 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccccc2Oc2ccncc2)C1 ZINC000571532061 823196741 /nfs/dbraw/zinc/19/67/41/823196741.db2.gz PLWTUIMUDOUXPB-QUCCMNQESA-N 1 0 387.483 4.439 20 0 GIADRO C[C@@H]1CN(c2ccccc2C[NH2+]C[C@@H]2CCCO[C@H]2c2ccccc2)CCO1 ZINC000459461674 823196776 /nfs/dbraw/zinc/19/67/76/823196776.db2.gz GMLASOWSDOQIMR-UCFCWBNQSA-N 1 0 380.532 4.169 20 0 GIADRO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)Cc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000121510325 823197542 /nfs/dbraw/zinc/19/75/42/823197542.db2.gz LQVPOCCOJJEJBV-AWEZNQCLSA-N 1 0 383.517 4.446 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2coc(-c3ccc(F)cc3)n2)C1)CC(F)(F)F ZINC000176393677 823197824 /nfs/dbraw/zinc/19/78/24/823197824.db2.gz ZEGXJOFLSRKWEW-CQSZACIVSA-N 1 0 385.405 4.187 20 0 GIADRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](c1ccccc1)c1ccc(Br)cc1)CC2 ZINC000188175950 823198148 /nfs/dbraw/zinc/19/81/48/823198148.db2.gz ROOPZEJEFNKCCR-ICSRJNTNSA-N 1 0 397.320 4.043 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1C[NH2+]Cc1cccc(-c2cnn(C)c2)c1 ZINC000459467703 823198491 /nfs/dbraw/zinc/19/84/91/823198491.db2.gz ZFKVTTOCUCRCID-UHFFFAOYSA-N 1 0 377.517 4.272 20 0 GIADRO CC(C)c1cc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc(=O)[nH]1 ZINC000121534677 823201246 /nfs/dbraw/zinc/20/12/46/823201246.db2.gz ADVRDLCQKITDOY-YLJYHZDGSA-N 1 0 381.520 4.036 20 0 GIADRO COc1ccc([C@@H](NC(=O)C[NH2+][C@H](C)c2ccc(OC)c(F)c2)C(C)C)cc1 ZINC000121520640 823199099 /nfs/dbraw/zinc/19/90/99/823199099.db2.gz WYMGEWNGFXQZHX-QRQCRPRQSA-N 1 0 388.483 4.007 20 0 GIADRO CC(C)N1CC[C@@H]([NH2+]C2CCN(C3CC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000459471456 823199229 /nfs/dbraw/zinc/19/92/29/823199229.db2.gz TZLSLNKGXBACDU-NHCUHLMSSA-N 1 0 379.951 4.219 20 0 GIADRO Clc1cc(Cl)cc(CN2CCC([NH2+]C3CCN(C4CC4)CC3)CC2)c1 ZINC000459476698 823200447 /nfs/dbraw/zinc/20/04/47/823200447.db2.gz HAVGRQXFINHFTA-UHFFFAOYSA-N 1 0 382.379 4.174 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccc(-n3nc(C)cc3C)cc2)C1)CC(F)(F)F ZINC000176403340 823200700 /nfs/dbraw/zinc/20/07/00/823200700.db2.gz TYYLYCLQITZNSZ-LJQANCHMSA-N 1 0 394.485 4.195 20 0 GIADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000571603374 823206354 /nfs/dbraw/zinc/20/63/54/823206354.db2.gz LLPPGIXPWIAAJT-OAHLLOKOSA-N 1 0 388.537 4.242 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](CC(=O)Nc2c(C)cccc2C(C)C)C1)CC(F)(F)F ZINC000176407735 823201745 /nfs/dbraw/zinc/20/17/45/823201745.db2.gz MYJFWSYUSQSRIV-KRWDZBQOSA-N 1 0 399.501 4.263 20 0 GIADRO C[C@H]([NH2+]Cc1cc(=O)[nH]c(C2CC2)n1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000459484283 823202077 /nfs/dbraw/zinc/20/20/77/823202077.db2.gz ZZGYPKNSZPKBGX-HNNXBMFYSA-N 1 0 388.471 4.163 20 0 GIADRO CC(C)OCC[NH+]1CCC(NC(=O)N[C@H](c2cccc(F)c2)C(C)(C)C)CC1 ZINC000176411608 823202563 /nfs/dbraw/zinc/20/25/63/823202563.db2.gz XQDDXADUEGUOFT-HXUWFJFHSA-N 1 0 393.547 4.102 20 0 GIADRO COc1ccc(-c2ccccc2C)cc1C[NH2+][C@H]1CCO[C@@H](c2cncn2C)C1 ZINC000459489064 823202987 /nfs/dbraw/zinc/20/29/87/823202987.db2.gz PWAFEZVDWKELLH-GBXCKJPGSA-N 1 0 391.515 4.414 20 0 GIADRO Cc1nc(-c2cccc(NC(=O)N3CCC([NH+]4CCCCC4)CC3)c2)oc1C ZINC000056739063 823203860 /nfs/dbraw/zinc/20/38/60/823203860.db2.gz ZJIYTBYMEBZHBG-UHFFFAOYSA-N 1 0 382.508 4.441 20 0 GIADRO C[C@H]1CN(c2ccccc2C[NH2+]C[C@@H](c2ccccc2)C(F)(F)F)CCO1 ZINC000459507499 823206791 /nfs/dbraw/zinc/20/67/91/823206791.db2.gz VWOUJFFPMFSMKK-LPHOPBHVSA-N 1 0 378.438 4.347 20 0 GIADRO C[N@@H+]1CC[C@@H](NC(=O)c2c(F)cc(C(F)(F)F)cc2F)[C@H]1c1ccccc1 ZINC000571607771 823207549 /nfs/dbraw/zinc/20/75/49/823207549.db2.gz UQZYEQDSHMORDT-NVXWUHKLSA-N 1 0 384.348 4.159 20 0 GIADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H](C)c2ccc3cc(OC)ccc3c2)c1 ZINC000121567400 823207662 /nfs/dbraw/zinc/20/76/62/823207662.db2.gz LEXWUAMGPAZKTC-JKSUJKDBSA-N 1 0 398.528 4.168 20 0 GIADRO CCc1cc(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)oc1CC ZINC000121571095 823208322 /nfs/dbraw/zinc/20/83/22/823208322.db2.gz OVMLWSYDMGQEKA-UHFFFAOYSA-N 1 0 387.499 4.326 20 0 GIADRO CC1(c2ccccc2)CC([NH2+]Cc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)C1 ZINC000459512683 823208449 /nfs/dbraw/zinc/20/84/49/823208449.db2.gz KASSEPNTGDFJDP-UHFFFAOYSA-N 1 0 397.462 4.319 20 0 GIADRO CC(C)c1ccccc1OC[C@H](O)C[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000459513943 823208643 /nfs/dbraw/zinc/20/86/43/823208643.db2.gz GCBAEQVSWISPIC-OAQYLSRUSA-N 1 0 395.543 4.114 20 0 GIADRO CC(C)c1ccccc1OC[C@@H](O)C[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000459513937 823208719 /nfs/dbraw/zinc/20/87/19/823208719.db2.gz GCBAEQVSWISPIC-NRFANRHFSA-N 1 0 395.543 4.114 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ocnc1-c1ccccc1 ZINC000571611525 823208833 /nfs/dbraw/zinc/20/88/33/823208833.db2.gz AXFHSXGEBIPQFW-UHFFFAOYSA-N 1 0 395.890 4.389 20 0 GIADRO CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cnn(C(C)C)c3C2)[C@H]1Sc1ccccc1 ZINC000459515250 823208971 /nfs/dbraw/zinc/20/89/71/823208971.db2.gz GXVFKHKGBVJMJV-JHMKDJTOSA-N 1 0 385.577 4.249 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000176444700 823209180 /nfs/dbraw/zinc/20/91/80/823209180.db2.gz XUZAQVUTXGHUTG-UHOSZYNNSA-N 1 0 398.576 4.448 20 0 GIADRO c1c(C[NH2+]C[C@@H]2CCCCN2C2CC2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459515863 823209330 /nfs/dbraw/zinc/20/93/30/823209330.db2.gz VHQQMEROIOCVLW-NRFANRHFSA-N 1 0 379.552 4.167 20 0 GIADRO COC(=O)c1cc2cc(C[NH+]3CCC4(CC3)OCCc3ccccc34)ccc2o1 ZINC000459519443 823209996 /nfs/dbraw/zinc/20/99/96/823209996.db2.gz KEPNDQRGOYARKJ-UHFFFAOYSA-N 1 0 391.467 4.283 20 0 GIADRO CC(C)(C)OC(=O)N1CCc2cccc(C[NH+]3CCC([C@H]4CCCO4)CC3)c21 ZINC000188259929 823210517 /nfs/dbraw/zinc/21/05/17/823210517.db2.gz RVNSAEUVRYSVOR-HXUWFJFHSA-N 1 0 386.536 4.375 20 0 GIADRO O=C(Nc1ccc(Br)c2ccccc12)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000571623707 823210926 /nfs/dbraw/zinc/21/09/26/823210926.db2.gz JOCZHVKLOAXTBY-IBGZPJMESA-N 1 0 388.309 4.210 20 0 GIADRO O=C(Nc1ccc(Br)c2ccccc12)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000571623708 823210961 /nfs/dbraw/zinc/21/09/61/823210961.db2.gz JOCZHVKLOAXTBY-LJQANCHMSA-N 1 0 388.309 4.210 20 0 GIADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(C)(C)c1ccc(Br)cc1 ZINC000461266833 823608965 /nfs/dbraw/zinc/60/89/65/823608965.db2.gz XOTYSURGDWZAQQ-KRWDZBQOSA-N 1 0 381.358 4.060 20 0 GIADRO Oc1cccc(C[NH2+]CC2CCN(c3ccccc3)CC2)c1Br ZINC000459530589 823212788 /nfs/dbraw/zinc/21/27/88/823212788.db2.gz PQWBZTOEYAFMDW-UHFFFAOYSA-N 1 0 375.310 4.161 20 0 GIADRO C[C@H]1CCC[C@H](OCC(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)C1 ZINC000571638471 823213313 /nfs/dbraw/zinc/21/33/13/823213313.db2.gz VOQWILBRRHHJAE-YJBOKZPZSA-N 1 0 394.943 4.347 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCC1)Nc1ccc(-c2csnn2)cc1 ZINC000056787114 823213325 /nfs/dbraw/zinc/21/33/25/823213325.db2.gz GRCIAMJKDQQPCR-UHFFFAOYSA-N 1 0 393.516 4.123 20 0 GIADRO COc1ccccc1Oc1ccc(NC(=O)N2CC[NH+](CC3CC3)CC2)cc1F ZINC000056791137 823214767 /nfs/dbraw/zinc/21/47/67/823214767.db2.gz BARTVDGCKHUAPW-UHFFFAOYSA-N 1 0 399.466 4.186 20 0 GIADRO COc1ccc([C@H](NC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)C(C)C)cc1 ZINC000056812167 823218096 /nfs/dbraw/zinc/21/80/96/823218096.db2.gz NWBDGBCZAKMUPK-OAQYLSRUSA-N 1 0 375.557 4.154 20 0 GIADRO COC(=O)c1cccc2c1CCN([C@H](C)C(=O)Nc1c(C)cccc1C(C)C)C2 ZINC000459539124 823215368 /nfs/dbraw/zinc/21/53/68/823215368.db2.gz PKUBGNRBPFDJNO-QGZVFWFLSA-N 1 0 394.515 4.290 20 0 GIADRO COc1ccccc1-c1ccc(C[NH2+][C@@H]2CCCN(CC(F)(F)F)C2=O)cc1 ZINC000121611159 823215698 /nfs/dbraw/zinc/21/56/98/823215698.db2.gz ZLQYSNIEZLWWMT-GOSISDBHSA-N 1 0 392.421 4.005 20 0 GIADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@H](c2ccco2)c2ccccc2)o1 ZINC000056812455 823218263 /nfs/dbraw/zinc/21/82/63/823218263.db2.gz IHPVNHVAKFCOON-NRFANRHFSA-N 1 0 381.476 4.044 20 0 GIADRO O=C(NC[C@H](NCc1ccccc1)c1ccco1)c1ccc(-n2cccc2)cc1 ZINC000571666476 823216482 /nfs/dbraw/zinc/21/64/82/823216482.db2.gz FMMTWMVBMXAKHU-QFIPXVFZSA-N 1 0 385.467 4.331 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)C[N@@H+]1C1CC1 ZINC000188301107 823216525 /nfs/dbraw/zinc/21/65/25/823216525.db2.gz FCRFJYSDNFDCOK-OLZOCXBDSA-N 1 0 394.393 4.200 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)C[N@@H+]1C1CC1 ZINC000188301153 823216552 /nfs/dbraw/zinc/21/65/52/823216552.db2.gz FCRFJYSDNFDCOK-CHWSQXEVSA-N 1 0 394.393 4.200 20 0 GIADRO CCOc1cc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)cc(Cl)c1O ZINC000459544785 823216719 /nfs/dbraw/zinc/21/67/19/823216719.db2.gz KENNVGSRGSPTHS-HBFSDRIKSA-N 1 0 387.907 4.449 20 0 GIADRO C[C@H]1CN(c2ccccc2C[NH2+]C[C@@H](Cc2ccccc2)C(F)(F)F)CCO1 ZINC000459556062 823219885 /nfs/dbraw/zinc/21/98/85/823219885.db2.gz AVKDWWVHYAUKKR-FXAWDEMLSA-N 1 0 392.465 4.423 20 0 GIADRO Cc1cnc([C@H](C)NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)s1 ZINC000176492774 823220149 /nfs/dbraw/zinc/22/01/49/823220149.db2.gz GADRUWLCXDDNLN-UXDRXVOSSA-N 1 0 384.549 4.007 20 0 GIADRO CC[C@H](C)[NH2+][C@H](CNC(=O)c1cc(C)sc1Br)c1ccco1 ZINC000571712954 823223030 /nfs/dbraw/zinc/22/30/30/823223030.db2.gz FDMIJGGZAFNZGQ-GXFFZTMASA-N 1 0 385.327 4.271 20 0 GIADRO CCO[C@@H]1C[C@H](Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)[C@H]1Sc1ccccc1 ZINC000459561239 823220566 /nfs/dbraw/zinc/22/05/66/823220566.db2.gz RHPDMYHWCKFLRD-CWKRKGSWSA-N 1 0 398.572 4.003 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)[C@H]1Sc1ccccc1 ZINC000459573524 823223075 /nfs/dbraw/zinc/22/30/75/823223075.db2.gz RCGFFVKWIFVTTD-SGCGGLILSA-N 1 0 384.545 4.230 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1C[NH2+]C1(Cc2ccccc2)CCOCC1 ZINC000459564772 823221264 /nfs/dbraw/zinc/22/12/64/823221264.db2.gz SXJRANQXZXFVGY-UHFFFAOYSA-N 1 0 381.545 4.463 20 0 GIADRO CCOc1cc(C[NH2+]CC(C)(C)c2ncccc2C)cc(Br)c1O ZINC000459565028 823221490 /nfs/dbraw/zinc/22/14/90/823221490.db2.gz XHWQMRGDBYXORB-UHFFFAOYSA-N 1 0 393.325 4.324 20 0 GIADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459567837 823222083 /nfs/dbraw/zinc/22/20/83/823222083.db2.gz WLVLSJLOZIELQY-XMSQKQJNSA-N 1 0 379.552 4.119 20 0 GIADRO CN(C)c1ccccc1CN(C)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000571715129 823223334 /nfs/dbraw/zinc/22/33/34/823223334.db2.gz AUDIGJPVTAYVHB-UHFFFAOYSA-N 1 0 394.563 4.080 20 0 GIADRO C[C@H]1CN(c2ccccc2C[NH2+]Cc2c(Cl)cccc2-n2ccnc2)CCO1 ZINC000459568978 823222208 /nfs/dbraw/zinc/22/22/08/823222208.db2.gz LHTNOUKEVNRJOG-KRWDZBQOSA-N 1 0 396.922 4.041 20 0 GIADRO CCOc1cc(C[NH2+]CC2(C(F)(F)F)CCC2)cc(Br)c1O ZINC000459551939 823218640 /nfs/dbraw/zinc/21/86/40/823218640.db2.gz UNDDMHSXJGFWBL-UHFFFAOYSA-N 1 0 382.220 4.376 20 0 GIADRO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176501829 823222844 /nfs/dbraw/zinc/22/28/44/823222844.db2.gz LOZJSTLXMJOBKD-OAHLLOKOSA-N 1 0 379.495 4.464 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)cc1 ZINC000188344518 823222848 /nfs/dbraw/zinc/22/28/48/823222848.db2.gz CKWQFORCHYZVOD-UHFFFAOYSA-N 1 0 375.472 4.340 20 0 GIADRO Cc1n[nH]c(C)c1[C@H]1CCCCC[N@H+]1Cc1ccccc1N1CCO[C@H](C)C1 ZINC000459552494 823218932 /nfs/dbraw/zinc/21/89/32/823218932.db2.gz ULBGLJDUDZFNEL-VGOFRKELSA-N 1 0 382.552 4.369 20 0 GIADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CCC(C(=O)c2ccccc2)CC1 ZINC000176487617 823219037 /nfs/dbraw/zinc/21/90/37/823219037.db2.gz KXPHPBGLAAWICQ-UHFFFAOYSA-N 1 0 397.563 4.088 20 0 GIADRO CC(C)[N@@H+]1CCc2nc(CN3CC(Cc4ccccc4Cl)C3)sc2C1 ZINC000459554752 823219240 /nfs/dbraw/zinc/21/92/40/823219240.db2.gz ASZLGTOTQHCLJD-UHFFFAOYSA-N 1 0 375.969 4.238 20 0 GIADRO CO[C@H](C[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1)Cc1ccccc1 ZINC000459574046 823223443 /nfs/dbraw/zinc/22/34/43/823223443.db2.gz SMORIVPSTBEALU-QFIPXVFZSA-N 1 0 390.531 4.408 20 0 GIADRO O=C(N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)C1(C(F)F)CCCC1 ZINC000571718981 823224015 /nfs/dbraw/zinc/22/40/15/823224015.db2.gz NDRIELYHVNDOEJ-OALUTQOASA-N 1 0 376.491 4.325 20 0 GIADRO CCOc1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)cc(Br)c1O ZINC000459585657 823225412 /nfs/dbraw/zinc/22/54/12/823225412.db2.gz VDMXHMVHVIRPHL-OIISXLGYSA-N 1 0 398.341 4.069 20 0 GIADRO c1c(C[N@@H+]2CC3(CCOCC3)[C@H]2C2CC2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459589747 823226402 /nfs/dbraw/zinc/22/64/02/823226402.db2.gz MPPAVXPEVKCRAZ-HSZRJFAPSA-N 1 0 392.547 4.451 20 0 GIADRO COc1ccc(-c2csc(CNC(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)c2)cc1 ZINC000176515126 823226498 /nfs/dbraw/zinc/22/64/98/823226498.db2.gz APADAPNDXUJTJA-KRWDZBQOSA-N 1 0 399.560 4.051 20 0 GIADRO C[N@@H+](Cc1cn(C2CCCC2)nc1-c1ccccn1)C[C@@H](O)Cc1ccccc1 ZINC000459594329 823226884 /nfs/dbraw/zinc/22/68/84/823226884.db2.gz RTBBWIPETJSSQX-QFIPXVFZSA-N 1 0 390.531 4.096 20 0 GIADRO COc1ccc(-c2csc(CNC(=O)N(C)[C@H]3CC[N@H+](C)[C@H](C)C3)c2)cc1 ZINC000176517676 823227199 /nfs/dbraw/zinc/22/71/99/823227199.db2.gz XMKMTSNZQDNGBC-QAPCUYQASA-N 1 0 387.549 4.048 20 0 GIADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C/C=C/c1ccc(F)cc1 ZINC000176518600 823227715 /nfs/dbraw/zinc/22/77/15/823227715.db2.gz PPIJCDXSVDTSIS-SNAWJCMRSA-N 1 0 397.494 4.018 20 0 GIADRO COc1ccc(-c2ccc(CNC(=O)N3CCC([NH+]4CCCC4)CC3)s2)cc1 ZINC000176524093 823228782 /nfs/dbraw/zinc/22/87/82/823228782.db2.gz FDQSRZFUNLQFLS-UHFFFAOYSA-N 1 0 399.560 4.194 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N[C@@H](c3cccs3)C(C)(C)CO)ccc21 ZINC000459611437 823229546 /nfs/dbraw/zinc/22/95/46/823229546.db2.gz DAFXOMYHJQXUGS-HKUYNNGSSA-N 1 0 387.549 4.178 20 0 GIADRO CC[C@H](NC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1)c1nccs1 ZINC000121684012 823229877 /nfs/dbraw/zinc/22/98/77/823229877.db2.gz GAJBSRNITDBPPU-HOTGVXAUSA-N 1 0 392.594 4.428 20 0 GIADRO C[C@@H](C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)c1ccc(C(F)(F)F)cc1 ZINC000409477186 823229813 /nfs/dbraw/zinc/22/98/13/823229813.db2.gz ILEHASBTIFOLNF-FZKQIMNGSA-N 1 0 382.401 4.367 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)COC(c1ccccc1)c1ccccc1)c1cncc(F)c1 ZINC000459618050 823230391 /nfs/dbraw/zinc/23/03/91/823230391.db2.gz AXEACCXWQRBDNT-JTSKRJEESA-N 1 0 380.463 4.038 20 0 GIADRO COc1ccccc1-c1ncc(C[NH+]2CC(Cc3ccc(F)c(F)c3)C2)cn1 ZINC000459621595 823230935 /nfs/dbraw/zinc/23/09/35/823230935.db2.gz BZIJARXGZGBGKD-UHFFFAOYSA-N 1 0 381.426 4.105 20 0 GIADRO C[C@@H](NC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)c1cccc(OC(F)F)c1 ZINC000056936931 823233063 /nfs/dbraw/zinc/23/30/63/823233063.db2.gz KQQDYOQMJYCWQM-ACJLOTCBSA-N 1 0 395.425 4.090 20 0 GIADRO O[C@H](C[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1 ZINC000121677023 823228553 /nfs/dbraw/zinc/22/85/53/823228553.db2.gz IGAFTCIICZICDS-HXUWFJFHSA-N 1 0 379.331 4.281 20 0 GIADRO C[C@H]([NH2+][C@H]1CCC[C@H](N2CCCC2=O)C1)c1ccc(Oc2ccccc2)cn1 ZINC000571778945 823233270 /nfs/dbraw/zinc/23/32/70/823233270.db2.gz ZYVWVBOHOXNXPK-FHWLQOOXSA-N 1 0 379.504 4.458 20 0 GIADRO COc1ccc(NC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1SC ZINC000459646364 823237354 /nfs/dbraw/zinc/23/73/54/823237354.db2.gz BOSSVZAATUZQHF-GOSISDBHSA-N 1 0 399.560 4.103 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCCc2cc(S(N)(=O)=O)ccc21)c1cc(Cl)ccc1Cl ZINC000571779325 823233367 /nfs/dbraw/zinc/23/33/67/823233367.db2.gz FVXCNEKQTUEGDU-ZMZPIMSZSA-N 1 0 399.343 4.369 20 0 GIADRO C[C@H](CCCc1cccnc1)[NH2+][C@H](C)C(=O)Nc1ccccc1Br ZINC000459633199 823233807 /nfs/dbraw/zinc/23/38/07/823233807.db2.gz DPAAGBSMHQRBBZ-HUUCEWRRSA-N 1 0 390.325 4.172 20 0 GIADRO COCCOCc1ccc(C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)cc1 ZINC000571807406 823237414 /nfs/dbraw/zinc/23/74/14/823237414.db2.gz JLDIXSBFESRXPR-UHFFFAOYSA-N 1 0 379.504 4.106 20 0 GIADRO CC(=O)Nc1cccc(C(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCCC2)c1C ZINC000188401064 823234228 /nfs/dbraw/zinc/23/42/28/823234228.db2.gz NDARIJYQIXXFQZ-GOSISDBHSA-N 1 0 393.531 4.347 20 0 GIADRO Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)NCCC3CC[NH+](C)CC3)c12 ZINC000121710375 823235016 /nfs/dbraw/zinc/23/50/16/823235016.db2.gz SVWWTGBOYCCSBI-UHFFFAOYSA-N 1 0 399.583 4.080 20 0 GIADRO CC(C)c1scnc1C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000571809337 823237654 /nfs/dbraw/zinc/23/76/54/823237654.db2.gz KYSLXHBIDMCTRM-UHFFFAOYSA-N 1 0 377.941 4.314 20 0 GIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(C)(C)Cc2nc3ccccc3[nH]2)C1 ZINC000409511111 823237635 /nfs/dbraw/zinc/23/76/35/823237635.db2.gz VDSIJYVBZYLPQC-HKUYNNGSSA-N 1 0 390.531 4.083 20 0 GIADRO C[C@H]([NH2+]CCC1(C)OCCO1)c1ccc(Br)cc1C(F)(F)F ZINC000188407635 823235779 /nfs/dbraw/zinc/23/57/79/823235779.db2.gz VINUBZDOZJUJBG-JTQLQIEISA-N 1 0 382.220 4.272 20 0 GIADRO Cc1cc(Br)cn2c(C[NH2+][C@@H](C)CCCc3cccnc3)cnc12 ZINC000459642861 823236272 /nfs/dbraw/zinc/23/62/72/823236272.db2.gz BXOTZQGXBKNKML-HNNXBMFYSA-N 1 0 387.325 4.301 20 0 GIADRO CCOc1cc(C[NH2+][C@@H](C)c2cncc(F)c2)cc(Br)c1OC ZINC000459642943 823236297 /nfs/dbraw/zinc/23/62/97/823236297.db2.gz CFJJGRXZDZOCGV-NSHDSACASA-N 1 0 383.261 4.241 20 0 GIADRO FC(F)(F)[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2cccs2)CC12CCOCC2 ZINC000459648996 823238505 /nfs/dbraw/zinc/23/85/05/823238505.db2.gz LJFNUHCAEKXOMH-OAHLLOKOSA-N 1 0 385.455 4.319 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000176573641 823239905 /nfs/dbraw/zinc/23/99/05/823239905.db2.gz JMFCYGFBJRCIBH-WTOYTKOKSA-N 1 0 378.520 4.078 20 0 GIADRO Fc1ccccc1-c1n[nH]cc1C[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459655277 823240982 /nfs/dbraw/zinc/24/09/82/823240982.db2.gz UTILSHWFFUKMDD-QGZVFWFLSA-N 1 0 397.416 4.397 20 0 GIADRO O=C(CCCc1ccccc1Br)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000121744080 823241371 /nfs/dbraw/zinc/24/13/71/823241371.db2.gz IXBDGDIZZDIJSA-GOSISDBHSA-N 1 0 393.369 4.249 20 0 GIADRO CCOC(=O)CC(C)(C)CC[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459656759 823241852 /nfs/dbraw/zinc/24/18/52/823241852.db2.gz HUZPQOGSURSYNJ-HNNXBMFYSA-N 1 0 379.463 4.037 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CCN1CCc2ccccc2C1 ZINC000121746686 823242048 /nfs/dbraw/zinc/24/20/48/823242048.db2.gz ICAWTGXQFJDZIJ-MRXNPFEDSA-N 1 0 378.545 4.222 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)C[C@@H]2CCCc3cc(OC)ccc32)CC1 ZINC000057047397 823243227 /nfs/dbraw/zinc/24/32/27/823243227.db2.gz AQSLUXOCZAXQQE-NRFANRHFSA-N 1 0 386.580 4.476 20 0 GIADRO COc1ccc(CCCCC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000057046283 823243242 /nfs/dbraw/zinc/24/32/42/823243242.db2.gz JBOMBHUGSWDUJV-UHFFFAOYSA-N 1 0 394.559 4.497 20 0 GIADRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N1CCC[C@@H]1c1ccncc1 ZINC000121762633 823245518 /nfs/dbraw/zinc/24/55/18/823245518.db2.gz APMHZOFEDJCLRZ-WOIUINJBSA-N 1 0 392.547 4.085 20 0 GIADRO C[C@@H](NC(=O)N1CCC([NH+]2CCCC2)CC1)c1ccc(-c2cccnc2)cc1 ZINC000176602133 823245779 /nfs/dbraw/zinc/24/57/79/823245779.db2.gz ATAWWJKSQRLBNI-GOSISDBHSA-N 1 0 378.520 4.079 20 0 GIADRO C[C@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)c1ccc(-c2cccnc2)cc1 ZINC000176601231 823245850 /nfs/dbraw/zinc/24/58/50/823245850.db2.gz CAYJLIDNEPAHOW-WMZHIEFXSA-N 1 0 392.547 4.470 20 0 GIADRO Cc1ccc(OCc2nc(CN(CC[NH+](C)C)Cc3ccco3)cs2)cc1 ZINC000571869499 823247717 /nfs/dbraw/zinc/24/77/17/823247717.db2.gz JSEDMGDCXRTQNE-UHFFFAOYSA-N 1 0 385.533 4.187 20 0 GIADRO FC(F)(F)Oc1ccccc1C[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000121785256 823250739 /nfs/dbraw/zinc/25/07/39/823250739.db2.gz SGXJXOYWRZACIE-OAHLLOKOSA-N 1 0 376.382 4.008 20 0 GIADRO CCCCOc1cc(C[NH2+][C@H]2c3sccc3OC(C)(C)[C@@H]2O)ccc1OC ZINC000459689107 823250944 /nfs/dbraw/zinc/25/09/44/823250944.db2.gz IEYVRIHMDPHQJP-AZUAARDMSA-N 1 0 391.533 4.298 20 0 GIADRO Cc1nn(-c2ccccn2)c(C)c1C[NH2+][C@H]1CCCN(c2ccc(F)cc2C)C1 ZINC000571898576 823251092 /nfs/dbraw/zinc/25/10/92/823251092.db2.gz OYMPBGHAATXDSB-FQEVSTJZSA-N 1 0 393.510 4.090 20 0 GIADRO CC(C)(C(=O)Nc1cccc2c1CC[NH2+]C2)c1csc(-c2cccs2)n1 ZINC000571909198 823252685 /nfs/dbraw/zinc/25/26/85/823252685.db2.gz HUWFJTAZVQWTIP-UHFFFAOYSA-N 1 0 383.542 4.434 20 0 GIADRO C[NH+](C)CCOc1cccc(CNC(=O)CCSc2cccc(Cl)c2)c1 ZINC000571905502 823252220 /nfs/dbraw/zinc/25/22/20/823252220.db2.gz JNPMTQYCOMZBNY-UHFFFAOYSA-N 1 0 392.952 4.079 20 0 GIADRO Cc1cc(Br)ccc1NC(=O)C[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000571911932 823253279 /nfs/dbraw/zinc/25/32/79/823253279.db2.gz AWBDMPMKXYWECL-UHFFFAOYSA-N 1 0 391.284 4.371 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N[C@H](CC(F)(F)F)c1ccccc1 ZINC000057131387 823253517 /nfs/dbraw/zinc/25/35/17/823253517.db2.gz KEGMTBANCRLIQT-IAGOWNOFSA-N 1 0 395.425 4.409 20 0 GIADRO Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000571915773 823253638 /nfs/dbraw/zinc/25/36/38/823253638.db2.gz ZBLPSYDAOGVWGC-SANMLTNESA-N 1 0 399.538 4.355 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1)c1ccc(N2CCOC2=O)cc1 ZINC000121798669 823253857 /nfs/dbraw/zinc/25/38/57/823253857.db2.gz XKSKPZLTZDLDOF-JKSUJKDBSA-N 1 0 393.487 4.404 20 0 GIADRO COc1ccc(CN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)C2CC2)cc1 ZINC000057137776 823253914 /nfs/dbraw/zinc/25/39/14/823253914.db2.gz DJZDMKMQWZPMTN-UHFFFAOYSA-N 1 0 378.516 4.098 20 0 GIADRO CC(C)OCC[NH+]1CCC(NC(=O)c2cc3cccc(Cl)c3s2)CC1 ZINC000571924901 823254907 /nfs/dbraw/zinc/25/49/07/823254907.db2.gz SVQZNEJYVAICLX-UHFFFAOYSA-N 1 0 380.941 4.174 20 0 GIADRO Cc1ccc(/C=C/CC(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)cc1 ZINC000176641878 823255550 /nfs/dbraw/zinc/25/55/50/823255550.db2.gz VIQGBUIDHBQVLZ-IRUYWQDXSA-N 1 0 392.543 4.415 20 0 GIADRO O=C([C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC(c2ccc(O)cc2)CC1 ZINC000057153485 823255624 /nfs/dbraw/zinc/25/56/24/823255624.db2.gz RIMVKKDCONIBNX-QFIPXVFZSA-N 1 0 378.516 4.010 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2Cl)cc1F ZINC000121811337 823255963 /nfs/dbraw/zinc/25/59/63/823255963.db2.gz XMTQYDADVPVKME-LSDHHAIUSA-N 1 0 378.850 4.100 20 0 GIADRO O=C1c2ccccc2C(=O)N1[C@H]1CCCC[C@H]([NH2+]C2CCC(C(F)F)CC2)C1 ZINC000459718424 823256117 /nfs/dbraw/zinc/25/61/17/823256117.db2.gz UUMZTGGKSVJLRT-GQGLESIBSA-N 1 0 390.474 4.397 20 0 GIADRO C[C@@H](c1ccc(F)cc1)N1CC[C@@H]([NH+]2CCC(c3ccc(O)cc3)CC2)C1=O ZINC000571942653 823258029 /nfs/dbraw/zinc/25/80/29/823258029.db2.gz JGRWFIFZRUAKNB-KSFYIVLOSA-N 1 0 382.479 4.073 20 0 GIADRO C[C@@H]([NH2+]CC1(Cc2cccc(Cl)c2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000459722281 823256612 /nfs/dbraw/zinc/25/66/12/823256612.db2.gz WKBAUXZKUPISGP-OAHLLOKOSA-N 1 0 377.937 4.417 20 0 GIADRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 ZINC000057156655 823256676 /nfs/dbraw/zinc/25/66/76/823256676.db2.gz MITNSCJEIMKCFL-KRWDZBQOSA-N 1 0 385.508 4.081 20 0 GIADRO COCCOc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1 ZINC000121815818 823256971 /nfs/dbraw/zinc/25/69/71/823256971.db2.gz MSLOWBGQDSBZLM-IRXDYDNUSA-N 1 0 382.504 4.472 20 0 GIADRO CO[C@@](C)([C@@H](C)[NH2+]Cc1ncc(-c2ccccc2Br)o1)C1CC1 ZINC000411941547 823615350 /nfs/dbraw/zinc/61/53/50/823615350.db2.gz HGKAWQSFXSYZCZ-XIKOKIGWSA-N 1 0 379.298 4.397 20 0 GIADRO COc1cc(NCc2nc3c(s2)C[N@@H+](C(C)C)CC3)cc(OC)c1Cl ZINC000459737028 823258871 /nfs/dbraw/zinc/25/88/71/823258871.db2.gz AOBINJINNJVIJO-UHFFFAOYSA-N 1 0 381.929 4.192 20 0 GIADRO CC[NH+]1CCC(CNC(=O)c2ccc(-c3ccccc3C(F)(F)F)o2)CC1 ZINC000571970598 823263094 /nfs/dbraw/zinc/26/30/94/823263094.db2.gz HTHGBMWZTUGILV-UHFFFAOYSA-N 1 0 380.410 4.427 20 0 GIADRO O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000057175192 823259380 /nfs/dbraw/zinc/25/93/80/823259380.db2.gz WNSYFTRMEJKPJS-HSZRJFAPSA-N 1 0 380.507 4.271 20 0 GIADRO O=C(Nc1cccc(OCc2cccnc2)c1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000057175637 823259392 /nfs/dbraw/zinc/25/93/92/823259392.db2.gz JIDZQWYZXSTZON-QHCPKHFHSA-N 1 0 387.483 4.264 20 0 GIADRO CCCC(=O)Nc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000057177107 823259580 /nfs/dbraw/zinc/25/95/80/823259580.db2.gz JFRXWRCDMMZFIY-LJQANCHMSA-N 1 0 379.504 4.276 20 0 GIADRO COc1ccc(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1SC ZINC000459749783 823259943 /nfs/dbraw/zinc/25/99/43/823259943.db2.gz DNMIWAZKFXRVCV-UHFFFAOYSA-N 1 0 377.554 4.336 20 0 GIADRO CO[C@H]1C[C@H]([NH2+]Cc2ncc(-c3ccccc3Br)o2)C12CCC2 ZINC000459750854 823260398 /nfs/dbraw/zinc/26/03/98/823260398.db2.gz HRSCLPGJSABVCA-HOTGVXAUSA-N 1 0 377.282 4.151 20 0 GIADRO C[C@@H]1C[C@@H](CCNC(=O)NC[C@@H]2CCCC(F)(F)C2)C[N@@H+]1Cc1ccccc1 ZINC000409613060 823261701 /nfs/dbraw/zinc/26/17/01/823261701.db2.gz UTFHEVIULOQVRD-MISYRCLQSA-N 1 0 393.522 4.412 20 0 GIADRO Brc1cncc([C@@H]2OCC[C@H]2[NH2+]Cc2ccc3ncccc3c2)c1 ZINC000459766155 823262201 /nfs/dbraw/zinc/26/22/01/823262201.db2.gz PAAJAIJLZHNJRF-MOPGFXCFSA-N 1 0 384.277 4.012 20 0 GIADRO C[C@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)C(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000459765086 823262278 /nfs/dbraw/zinc/26/22/78/823262278.db2.gz DCAZDTZGBRGPEX-RKOGWWSCSA-N 1 0 381.545 4.479 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)C1(c2cccc(F)c2)CCOCC1 ZINC000057192852 823262655 /nfs/dbraw/zinc/26/26/55/823262655.db2.gz BZTKUALOUNKWKV-UHFFFAOYSA-N 1 0 398.522 4.032 20 0 GIADRO C[C@H](NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)c1ccc(Br)cc1 ZINC000571968927 823262723 /nfs/dbraw/zinc/26/27/23/823262723.db2.gz UUYBXYQPWNJDOY-MAUKXSAKSA-N 1 0 394.357 4.170 20 0 GIADRO C[C@H]1CCC[N@H+](CCCCNC(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)C1 ZINC000176668714 823262749 /nfs/dbraw/zinc/26/27/49/823262749.db2.gz GWLPLTRUHKQRDT-INIZCTEOSA-N 1 0 397.523 4.248 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)C(=O)Nc3cccc(Cl)c3Cl)ccc21 ZINC000571973407 823263487 /nfs/dbraw/zinc/26/34/87/823263487.db2.gz MIKSNWFKBQALNG-MRXNPFEDSA-N 1 0 392.286 4.120 20 0 GIADRO CC(C)Cc1ncc(C[NH2+][C@@H]2CCO[C@H]2c2cncc(Br)c2)s1 ZINC000459775556 823263577 /nfs/dbraw/zinc/26/35/77/823263577.db2.gz XHHNDEZPEWYPSV-WBVHZDCISA-N 1 0 396.354 4.119 20 0 GIADRO Cc1nc(CNC(=O)NCc2ccccc2C[NH+]2CCCCCC2)sc1C ZINC000176670932 823263903 /nfs/dbraw/zinc/26/39/03/823263903.db2.gz UTWSSQLARVKAAX-UHFFFAOYSA-N 1 0 386.565 4.135 20 0 GIADRO CCCC[NH+]1CCC(NC(=O)CCCc2ccccc2Br)CC1 ZINC000121858506 823264365 /nfs/dbraw/zinc/26/43/65/823264365.db2.gz NIMIPCOXDWXGQH-UHFFFAOYSA-N 1 0 381.358 4.153 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@@H]2CCCC(F)(F)C2)CC1 ZINC000409626164 823265108 /nfs/dbraw/zinc/26/51/08/823265108.db2.gz QYQHKOXNCUWLFT-IAGOWNOFSA-N 1 0 379.495 4.337 20 0 GIADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C/C=C/c1ccc(C)cc1 ZINC000176681831 823266373 /nfs/dbraw/zinc/26/63/73/823266373.db2.gz YXIMMVRKOOLYDI-AATRIKPKSA-N 1 0 393.531 4.188 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NC[C@@H]1CCCC(F)(F)C1 ZINC000409629649 823266757 /nfs/dbraw/zinc/26/67/57/823266757.db2.gz HJTQHGGDHHIITP-IEBWSBKVSA-N 1 0 379.495 4.118 20 0 GIADRO O=C(NC[C@@H]1CCCC(F)(F)C1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000409630180 823266841 /nfs/dbraw/zinc/26/68/41/823266841.db2.gz DKVNJRFUQYHMOY-HXUWFJFHSA-N 1 0 393.522 4.162 20 0 GIADRO COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000571993963 823266917 /nfs/dbraw/zinc/26/69/17/823266917.db2.gz ZZZPATRJOJVLGR-YOEHRIQHSA-N 1 0 376.884 4.172 20 0 GIADRO C[C@H](NC(=O)NC[C@H]1CCCC(F)(F)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000409630746 823266980 /nfs/dbraw/zinc/26/69/80/823266980.db2.gz HIOLMJDFJKWDQR-YTQUADARSA-N 1 0 379.495 4.022 20 0 GIADRO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]C[C@H](O)COc1cccc2ccccc21 ZINC000121877240 823268299 /nfs/dbraw/zinc/26/82/99/823268299.db2.gz BZXZXMYMBDAIAI-LPHOPBHVSA-N 1 0 381.520 4.190 20 0 GIADRO Cc1c2cc(Cl)ccc2oc1C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000176688553 823268440 /nfs/dbraw/zinc/26/84/40/823268440.db2.gz MJNQJLLIHOWWPX-UHFFFAOYSA-N 1 0 378.900 4.014 20 0 GIADRO O=C(NC[C@H]1CCCC(F)(F)C1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000409637799 823269667 /nfs/dbraw/zinc/26/96/67/823269667.db2.gz KWYITGUASRFFNS-UMQXSMKFSA-N 1 0 391.506 4.307 20 0 GIADRO C[C@@H]1C[NH+](CCCCNC(=O)CC(c2ccccc2)c2ccccc2)C[C@@H](C)O1 ZINC000176695649 823270207 /nfs/dbraw/zinc/27/02/07/823270207.db2.gz UXABJPLAHWTYDB-NHCUHLMSSA-N 1 0 394.559 4.214 20 0 GIADRO CC[C@@H](c1cccc(OC)c1)[N@H+](C)CCCS(=O)(=O)c1ccc(F)cc1 ZINC000572021856 823270378 /nfs/dbraw/zinc/27/03/78/823270378.db2.gz FLQDIEKHLURIQN-FQEVSTJZSA-N 1 0 379.497 4.081 20 0 GIADRO COc1cc([C@H](C)NC(=O)c2ccccc2CC[NH3+])ccc1OC1CCCC1 ZINC000572052038 823274549 /nfs/dbraw/zinc/27/45/49/823274549.db2.gz CFWTUQNZLBYERR-INIZCTEOSA-N 1 0 382.504 4.009 20 0 GIADRO O=C(Nc1ccc(OC2CCCC2)c(Cl)c1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000409643927 823271538 /nfs/dbraw/zinc/27/15/38/823271538.db2.gz HDFXORYMWODHAZ-CVEARBPZSA-N 1 0 377.916 4.410 20 0 GIADRO CC(=O)Nc1ccc(C)c(C(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c1 ZINC000188610480 823272254 /nfs/dbraw/zinc/27/22/54/823272254.db2.gz AEVQNDBVTUWPBU-GOSISDBHSA-N 1 0 385.552 4.070 20 0 GIADRO CC[S@](=O)c1ccccc1C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000121897513 823272460 /nfs/dbraw/zinc/27/24/60/823272460.db2.gz AFVWSSHIWMDFFL-XDBZFTIUSA-N 1 0 398.572 4.119 20 0 GIADRO C[C@H]([NH2+]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000188636942 823278136 /nfs/dbraw/zinc/27/81/36/823278136.db2.gz RTWQIDREVPSJCQ-ZUEVXXBESA-N 1 0 399.457 4.105 20 0 GIADRO CC(C)C(=O)Nc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000176723968 823278149 /nfs/dbraw/zinc/27/81/49/823278149.db2.gz MPEGZWIEQRVYNZ-AVRDEDQJSA-N 1 0 393.531 4.064 20 0 GIADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Nc2cccc(CSc3ccccn3)c2)C1 ZINC000121925805 823278388 /nfs/dbraw/zinc/27/83/88/823278388.db2.gz FMDVEOJFMIRVQF-IBGZPJMESA-N 1 0 398.576 4.473 20 0 GIADRO Cc1ccc(C)c(NC(=O)[C@H](C)[NH2+][C@@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)c1 ZINC000572081576 823280304 /nfs/dbraw/zinc/28/03/04/823280304.db2.gz WMJGYNXQYDORGL-SCWSEQNSSA-N 1 0 385.939 4.319 20 0 GIADRO O=C(COc1ccccc1-c1ccccc1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000005704742 817611163 /nfs/dbraw/zinc/61/11/63/817611163.db2.gz NDGXBPUEXCATOB-OAQYLSRUSA-N 1 0 390.483 4.279 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1occc1Br ZINC000176728976 823279539 /nfs/dbraw/zinc/27/95/39/823279539.db2.gz JXXLYTNCNZVXDU-AWEZNQCLSA-N 1 0 391.309 4.347 20 0 GIADRO CCCOc1ccc(C[N@@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)cc1OC ZINC000572080315 823279629 /nfs/dbraw/zinc/27/96/29/823279629.db2.gz JWZDOACRXRBKKM-QHCPKHFHSA-N 1 0 387.495 4.050 20 0 GIADRO Cc1ccc(C[C@H]([NH2+][C@@H](C)c2ccc(-n3cnnn3)cc2)c2ccccn2)cc1 ZINC000121911433 823275629 /nfs/dbraw/zinc/27/56/29/823275629.db2.gz YQQKLKLALZNKCL-MBSDFSHPSA-N 1 0 384.487 4.000 20 0 GIADRO Cc1csc(CNC(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)n1 ZINC000057286290 823275881 /nfs/dbraw/zinc/27/58/81/823275881.db2.gz ARAQPVQZVODUMF-UHFFFAOYSA-N 1 0 386.565 4.215 20 0 GIADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Nc1cc(F)c(Br)cc1F ZINC000121935037 823280026 /nfs/dbraw/zinc/28/00/26/823280026.db2.gz QTHDBHCGPWOZEC-LLVKDONJSA-N 1 0 390.272 4.065 20 0 GIADRO C[C@@H](NC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1)c1cccnc1 ZINC000057286044 823275974 /nfs/dbraw/zinc/27/59/74/823275974.db2.gz IMNPOMSHQZRJPJ-GOSISDBHSA-N 1 0 380.536 4.407 20 0 GIADRO CCCc1c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)[nH]c(C)c1C(C)=O ZINC000176722969 823277534 /nfs/dbraw/zinc/27/75/34/823277534.db2.gz WECPEPPUJWIHLP-UZLBHIALSA-N 1 0 395.547 4.261 20 0 GIADRO CSc1cccc(F)c1C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000409676913 823280800 /nfs/dbraw/zinc/28/08/00/823280800.db2.gz YVNBRZUIRNVUNE-UHFFFAOYSA-N 1 0 382.570 4.029 20 0 GIADRO FC(F)(F)CN1CCC([NH2+]CC2(c3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000188658350 823281548 /nfs/dbraw/zinc/28/15/48/823281548.db2.gz UTUHFABBFRPDTA-UHFFFAOYSA-N 1 0 380.376 4.353 20 0 GIADRO CO[C@@H](C)c1nc(C)c(C(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)s1 ZINC000176743246 823282881 /nfs/dbraw/zinc/28/28/81/823282881.db2.gz VDAZDJQSTZBSBU-LBPRGKRZSA-N 1 0 397.928 4.005 20 0 GIADRO Cc1ccc([C@@H](OC[C@@H](O)C[NH2+]CC2(C(F)(F)F)CC2)c2ccccc2)cc1 ZINC000572114847 823285683 /nfs/dbraw/zinc/28/56/83/823285683.db2.gz LMVFILKWISLODS-PMACEKPBSA-N 1 0 393.449 4.394 20 0 GIADRO CC[NH+]1CCC(N(C(=O)c2sc(-c3cccs3)nc2C)C2CC2)CC1 ZINC000057371319 823283887 /nfs/dbraw/zinc/28/38/87/823283887.db2.gz MRBVRBLRBDVZEA-UHFFFAOYSA-N 1 0 375.563 4.269 20 0 GIADRO CC[NH+]1CCC(N(C(=O)c2cccc(NC(=O)OC(C)(C)C)c2)C2CC2)CC1 ZINC000057371354 823283894 /nfs/dbraw/zinc/28/38/94/823283894.db2.gz OLGSQFSTJZSVJX-UHFFFAOYSA-N 1 0 387.524 4.123 20 0 GIADRO CC[NH+]1CCC(N(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)C2CC2)CC1 ZINC000057371360 823284021 /nfs/dbraw/zinc/28/40/21/823284021.db2.gz GVEVVNYSERQWCM-UHFFFAOYSA-N 1 0 387.524 4.123 20 0 GIADRO C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1cccs1)C[C@@H](O)CC(F)(F)F ZINC000188677414 823284549 /nfs/dbraw/zinc/28/45/49/823284549.db2.gz SBLACCHWTLFCSH-INIZCTEOSA-N 1 0 395.450 4.346 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)N1CC2(CCC2)[C@@H]1C1CC1)[NH+]1CCCCC1 ZINC000460107928 823286036 /nfs/dbraw/zinc/28/60/36/823286036.db2.gz MHDSZVHPTJKZEX-IRLDBZIGSA-N 1 0 397.563 4.196 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000007107265 817761082 /nfs/dbraw/zinc/76/10/82/817761082.db2.gz HGEMIGQUNKCSRQ-UHFFFAOYSA-N 1 0 377.410 4.100 20 0 GIADRO O=C(NC1CC[NH+](C2CC2)CC1)N1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000121971186 823286648 /nfs/dbraw/zinc/28/66/48/823286648.db2.gz SVIKKOZJPIMLPR-GOSISDBHSA-N 1 0 384.549 4.160 20 0 GIADRO C[C@H]([NH2+]CCc1ccccc1OC(F)F)c1ccc(N2CCOC2=O)cc1 ZINC000188714493 823291304 /nfs/dbraw/zinc/29/13/04/823291304.db2.gz SQCDUOMGCGRUHX-AWEZNQCLSA-N 1 0 376.403 4.138 20 0 GIADRO Cc1cccc(OCCCCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000057385969 823286965 /nfs/dbraw/zinc/28/69/65/823286965.db2.gz HZINTLSOBWIRGM-UHFFFAOYSA-N 1 0 380.532 4.325 20 0 GIADRO C[C@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)c1ccc(Oc2cccnc2)cc1 ZINC000572126867 823287099 /nfs/dbraw/zinc/28/70/99/823287099.db2.gz PEGBMALBDSATBK-AZUAARDMSA-N 1 0 394.519 4.205 20 0 GIADRO C[C@@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)c1ccc(Oc2cccnc2)cc1 ZINC000572126870 823287171 /nfs/dbraw/zinc/28/71/71/823287171.db2.gz PEGBMALBDSATBK-UYAOXDASSA-N 1 0 394.519 4.205 20 0 GIADRO C[C@H](NC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)c1c(F)cccc1F ZINC000460116562 823287494 /nfs/dbraw/zinc/28/74/94/823287494.db2.gz ZMHVTZIQULINDJ-QXAKKESOSA-N 1 0 399.485 4.189 20 0 GIADRO COCc1c2ccccc2oc1C(=O)N(CCCc1ccccc1)CC[NH+](C)C ZINC000409708525 823287777 /nfs/dbraw/zinc/28/77/77/823287777.db2.gz JDBLOTJBMQVTMR-UHFFFAOYSA-N 1 0 394.515 4.216 20 0 GIADRO Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000572130426 823287964 /nfs/dbraw/zinc/28/79/64/823287964.db2.gz QHRRAKTYOWEKKV-WCQYABFASA-N 1 0 397.466 4.322 20 0 GIADRO CSc1cccc(NC(=O)N2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000176768360 823288558 /nfs/dbraw/zinc/28/85/58/823288558.db2.gz TTZLONHPYAJKLZ-CALCHBBNSA-N 1 0 391.581 4.152 20 0 GIADRO CC(C)C[C@H](NC(=O)NC1CC[NH+](Cc2ccccn2)CC1)c1cccs1 ZINC000057393814 823289235 /nfs/dbraw/zinc/28/92/35/823289235.db2.gz YUICRPMMQIICTI-IBGZPJMESA-N 1 0 386.565 4.194 20 0 GIADRO Cc1cc2ccccc2n1CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000007257673 817805580 /nfs/dbraw/zinc/80/55/80/817805580.db2.gz CNVITNGHJNGRLO-UHFFFAOYSA-N 1 0 375.516 4.252 20 0 GIADRO C[C@H](Nc1ccc([NH+]2CCCCCC2)cc1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000007286169 817811182 /nfs/dbraw/zinc/81/11/82/817811182.db2.gz FGPHHCCNWPOQMG-INIZCTEOSA-N 1 0 381.476 4.235 20 0 GIADRO C[C@@H](CNC(=O)Cc1csc(-c2ccc(Cl)s2)n1)[NH+]1CCCCC1 ZINC000057397139 823290218 /nfs/dbraw/zinc/29/02/18/823290218.db2.gz FOQVLUAYUCLVBI-LBPRGKRZSA-N 1 0 383.970 4.058 20 0 GIADRO CC(C)(C)c1ccc(-c2ccc(C(=O)N3C[C@H](C[NH3+])C4(C3)CCOCC4)o2)cc1 ZINC000572157377 823291748 /nfs/dbraw/zinc/29/17/48/823291748.db2.gz SSVVTCNJEPSDRY-IBGZPJMESA-N 1 0 396.531 4.072 20 0 GIADRO CCOc1ccccc1CN(C)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000057398857 823290760 /nfs/dbraw/zinc/29/07/60/823290760.db2.gz BIXYPQMXFRHVTE-OAQYLSRUSA-N 1 0 381.520 4.064 20 0 GIADRO CCN(Cc1ccc(OC)cc1)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000057398740 823290822 /nfs/dbraw/zinc/29/08/22/823290822.db2.gz GOWIVVGFPJKBQG-QFIPXVFZSA-N 1 0 381.520 4.064 20 0 GIADRO FC(F)(F)Oc1ccc(NC(=S)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000007368768 817825608 /nfs/dbraw/zinc/82/56/08/817825608.db2.gz GKMSWMLVSVNHCI-HNNXBMFYSA-N 1 0 399.438 4.302 20 0 GIADRO CC[C@@H](C)C[C@@H](CC)[NH2+]C1CCN(c2ccc(S(=O)(=O)CC)cc2)CC1 ZINC000122001191 823291207 /nfs/dbraw/zinc/29/12/07/823291207.db2.gz JUHCOZVTKASOJH-QZTJIDSGSA-N 1 0 380.598 4.253 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)N(C)[C@H]1CC[C@@H](C(F)(F)F)CC1)c1ccco1 ZINC000460148307 823297481 /nfs/dbraw/zinc/29/74/81/823297481.db2.gz XZTDNSWDQUVQQK-OWCLPIDISA-N 1 0 389.462 4.425 20 0 GIADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2c2ccnc3c(Br)ccc(F)c23)C1 ZINC000409730005 823292714 /nfs/dbraw/zinc/29/27/14/823292714.db2.gz FURKJFCGCWMERA-WFASDCNBSA-N 1 0 378.289 4.057 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1COc2ccc(Cl)cc2C1 ZINC000007448164 817843705 /nfs/dbraw/zinc/84/37/05/817843705.db2.gz IBUBLNUFFCTPHV-HXUWFJFHSA-N 1 0 398.934 4.193 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]Cc2cccc(CSC)c2)cc1 ZINC000188722594 823293360 /nfs/dbraw/zinc/29/33/60/823293360.db2.gz SSEDJGTWMHQAIO-HNNXBMFYSA-N 1 0 378.563 4.162 20 0 GIADRO C[NH+](C)[C@@H](CNC(=S)Nc1ccc(SC(F)F)cc1)Cc1ccccc1 ZINC000007557344 817869038 /nfs/dbraw/zinc/86/90/38/817869038.db2.gz HXUMJNLGTVBSEK-MRXNPFEDSA-N 1 0 395.544 4.461 20 0 GIADRO CN(C)C(=O)c1ccc(C[NH2+]Cc2ccccc2COc2ccccc2Cl)[nH]1 ZINC000176798435 823295337 /nfs/dbraw/zinc/29/53/37/823295337.db2.gz AJUBXQKDQDJFEQ-UHFFFAOYSA-N 1 0 397.906 4.239 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)NC[C@@H](CO)c1ccccc1)C1CCCCC1 ZINC000176798481 823295513 /nfs/dbraw/zinc/29/55/13/823295513.db2.gz IHYPJGRTGPWLIU-NRFANRHFSA-N 1 0 395.547 4.349 20 0 GIADRO COCC[N@H+](C)CC[C@H](NC(=O)[C@@H]1CCSc2ccccc21)c1ccccc1 ZINC000460149708 823297835 /nfs/dbraw/zinc/29/78/35/823297835.db2.gz JQKZSLBVIFJOJO-RTWAWAEBSA-N 1 0 398.572 4.092 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CCc2sc(Cl)cc21)c1ccco1 ZINC000460144151 823296077 /nfs/dbraw/zinc/29/60/77/823296077.db2.gz TUSQJFSJYXTITN-UONOGXRCSA-N 1 0 381.929 4.364 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(Br)o1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000188742590 823296172 /nfs/dbraw/zinc/29/61/72/823296172.db2.gz AEFCXFISONQNSK-NSHDSACASA-N 1 0 378.270 4.177 20 0 GIADRO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)Nc3cccc(Cl)c3F)CC2)C[C@H](C)O1 ZINC000176802536 823296442 /nfs/dbraw/zinc/29/64/42/823296442.db2.gz QCPDQYIDMHGEGW-GASCZTMLSA-N 1 0 397.922 4.222 20 0 GIADRO CCCOc1ccccc1NC(=O)N(Cc1ccncc1)C[C@H]1CCC[N@@H+]1CC ZINC000176803135 823296800 /nfs/dbraw/zinc/29/68/00/823296800.db2.gz FJEYLZRKZNOBCX-HXUWFJFHSA-N 1 0 396.535 4.389 20 0 GIADRO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000409741972 823296825 /nfs/dbraw/zinc/29/68/25/823296825.db2.gz SIKQPODFLJDGSL-ZDUSSCGKSA-N 1 0 375.822 4.451 20 0 GIADRO O=C(CCCOc1ccc(Cl)cc1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000409744315 823297264 /nfs/dbraw/zinc/29/72/64/823297264.db2.gz VLGJVFKJCOFUIU-SFHVURJKSA-N 1 0 376.884 4.045 20 0 GIADRO COc1ccccc1C[C@@H](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000409768637 823303156 /nfs/dbraw/zinc/30/31/56/823303156.db2.gz WEZYUGZVZHRRLI-GOSISDBHSA-N 1 0 398.572 4.451 20 0 GIADRO O=C(CCOc1ccccc1F)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000572211491 823301587 /nfs/dbraw/zinc/30/15/87/823301587.db2.gz XWBDUHWKDJSBHW-HXUWFJFHSA-N 1 0 384.495 4.013 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)c2oc3ccccc3c2COC)cc1 ZINC000007828808 817928021 /nfs/dbraw/zinc/92/80/21/817928021.db2.gz CKBPOQLGHMOPLH-UHFFFAOYSA-N 1 0 380.488 4.351 20 0 GIADRO Cc1nc(-c2ccc(CNC(=O)NCC(C)(C)C[NH+]3CCCC3)s2)cs1 ZINC000572216748 823302568 /nfs/dbraw/zinc/30/25/68/823302568.db2.gz AINZCTFCWQWHFQ-UHFFFAOYSA-N 1 0 392.594 4.101 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(C)cc2C)cc1Br ZINC000007879247 817948253 /nfs/dbraw/zinc/94/82/53/817948253.db2.gz CRUPLNUGNKSRBD-AWEZNQCLSA-N 1 0 391.309 4.364 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cc(C)ccc2C)cc1Br ZINC000007879245 817948317 /nfs/dbraw/zinc/94/83/17/817948317.db2.gz SYPRBQYLJGKJNA-CQSZACIVSA-N 1 0 391.309 4.364 20 0 GIADRO Cc1ccc(OCc2ccc(C(=O)NCc3ccc4c(c3)C[NH2+]C4)o2)c(C)c1 ZINC000188759860 823299038 /nfs/dbraw/zinc/29/90/38/823299038.db2.gz UTSJEJBEVSLANU-UHFFFAOYSA-N 1 0 376.456 4.009 20 0 GIADRO Cc1cc(C(=O)Nc2ccc(CC[NH+](C)C)cc2)ccc1NC(=O)CC(C)C ZINC000460152651 823299190 /nfs/dbraw/zinc/29/91/90/823299190.db2.gz UQNWERGFLUIMSK-UHFFFAOYSA-N 1 0 381.520 4.336 20 0 GIADRO Cc1cccnc1[C@H](NC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1)C(C)C ZINC000176813580 823299655 /nfs/dbraw/zinc/29/96/55/823299655.db2.gz ODYWJOYNLIOJPY-RBBKRZOGSA-N 1 0 394.563 4.393 20 0 GIADRO Cc1cccnc1[C@H](NC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1)C(C)C ZINC000176813614 823299716 /nfs/dbraw/zinc/29/97/16/823299716.db2.gz ODYWJOYNLIOJPY-IFMALSPDSA-N 1 0 394.563 4.393 20 0 GIADRO CC(C)[C@H]([NH2+]CC(=O)Nc1ccccc1C(=O)NC1CCCC1)c1ccccc1 ZINC000008003228 817979397 /nfs/dbraw/zinc/97/93/97/817979397.db2.gz AMPFFCZGFDTCIF-QHCPKHFHSA-N 1 0 393.531 4.284 20 0 GIADRO COC(=O)c1c(C)c(C)sc1NC(=O)C[NH2+][C@@H](c1ccc(F)cc1)C(C)C ZINC000008003788 817979445 /nfs/dbraw/zinc/97/94/45/817979445.db2.gz ITXNGZZAVNFYSW-GOSISDBHSA-N 1 0 392.496 4.216 20 0 GIADRO Cc1ccc(C(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)cc1Br ZINC000176826961 823303715 /nfs/dbraw/zinc/30/37/15/823303715.db2.gz DQRUXNDYIKZHFR-UHFFFAOYSA-N 1 0 391.309 4.087 20 0 GIADRO Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cn2)c1C ZINC000572258697 823308457 /nfs/dbraw/zinc/30/84/57/823308457.db2.gz XTSDWWGNYVRADT-RBUKOAKNSA-N 1 0 394.519 4.344 20 0 GIADRO Cc1cnc([C@H](NC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)C2CC2)s1 ZINC000176830251 823304200 /nfs/dbraw/zinc/30/42/00/823304200.db2.gz ZUCHUCDBSNFMFB-OXJNMPFZSA-N 1 0 398.576 4.427 20 0 GIADRO CCCOc1ccc(CN(Cc2ccccc2)C(=O)NCC2CC[NH2+]CC2)cc1 ZINC000572227138 823304396 /nfs/dbraw/zinc/30/43/96/823304396.db2.gz AULGHTNLTPWZAE-UHFFFAOYSA-N 1 0 395.547 4.187 20 0 GIADRO CCc1ccc2occ(C(=O)NC3CC[NH+]([C@@H](C)c4ccncc4)CC3)c2c1 ZINC000572229576 823304779 /nfs/dbraw/zinc/30/47/79/823304779.db2.gz KKQIEWOFTDKXEO-INIZCTEOSA-N 1 0 377.488 4.346 20 0 GIADRO C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+](C)Cc1ccc2ccccc2c1 ZINC000008226134 818020270 /nfs/dbraw/zinc/02/02/70/818020270.db2.gz MHZJUKFZAUOORY-MRXNPFEDSA-N 1 0 376.456 4.070 20 0 GIADRO C[C@H](C(=O)NCc1ccccc1)[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000008249187 818022827 /nfs/dbraw/zinc/02/28/27/818022827.db2.gz YNMGINOCDXXDBA-AEFFLSMTSA-N 1 0 379.529 4.181 20 0 GIADRO O=C(N[C@H](C1CCCC1)C(F)(F)F)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000176837241 823305836 /nfs/dbraw/zinc/30/58/36/823305836.db2.gz BYINXISGJQECFC-GOSISDBHSA-N 1 0 383.458 4.071 20 0 GIADRO CN(Cc1ccc(F)cc1)C(=O)C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000008261488 818025507 /nfs/dbraw/zinc/02/55/07/818025507.db2.gz XMYSSPHYLWHKJV-QGZVFWFLSA-N 1 0 397.519 4.273 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCCc4occc4C3)cc2)C1 ZINC000460174876 823306063 /nfs/dbraw/zinc/30/60/63/823306063.db2.gz QSGJULNJCQQHHN-SFHVURJKSA-N 1 0 381.520 4.170 20 0 GIADRO C[C@H](C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1)c1cccs1 ZINC000176848915 823308747 /nfs/dbraw/zinc/30/87/47/823308747.db2.gz AYHQOGBEARXIQT-SFHVURJKSA-N 1 0 386.561 4.039 20 0 GIADRO Cc1noc2nc(-c3ccccc3)cc(C(=O)N(CCC[NH3+])CC3CCCC3)c12 ZINC000572242036 823306937 /nfs/dbraw/zinc/30/69/37/823306937.db2.gz VTRDCBZOIPZBFK-UHFFFAOYSA-N 1 0 392.503 4.179 20 0 GIADRO CC[C@@H](CNC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)Oc1cccc(C)c1 ZINC000176843492 823307136 /nfs/dbraw/zinc/30/71/36/823307136.db2.gz BAQPSKSGUVNWOD-FQEVSTJZSA-N 1 0 399.535 4.051 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(OC)c(OC)c1)c1ccc(Cl)cc1 ZINC000011048523 818047903 /nfs/dbraw/zinc/04/79/03/818047903.db2.gz FHFKYTVPALQXTJ-GUYCJALGSA-N 1 0 376.884 4.425 20 0 GIADRO CCn1c(Cc2ccc3ccccc3c2)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000460180226 823307525 /nfs/dbraw/zinc/30/75/25/823307525.db2.gz WEULBIXTACBQGA-PGRDOPGGSA-N 1 0 391.563 4.209 20 0 GIADRO CCn1c(Cc2ccc3ccccc3c2)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000460180227 823307605 /nfs/dbraw/zinc/30/76/05/823307605.db2.gz WEULBIXTACBQGA-XMSQKQJNSA-N 1 0 391.563 4.209 20 0 GIADRO Cc1ccc([C@H](OC[C@H](O)C[NH2+]C(C)(C)c2nccs2)c2ccccc2)cc1 ZINC000122111922 823307972 /nfs/dbraw/zinc/30/79/72/823307972.db2.gz LHHDDEUTXYHWBV-NHCUHLMSSA-N 1 0 396.556 4.443 20 0 GIADRO Cc1ccc(CCC(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000176847195 823308281 /nfs/dbraw/zinc/30/82/81/823308281.db2.gz PMWIEJRZLCPYJA-UHFFFAOYSA-N 1 0 394.559 4.115 20 0 GIADRO OC[C@]1(C[NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)C[C@@H]1c1ccccc1 ZINC000572290858 823314669 /nfs/dbraw/zinc/31/46/69/823314669.db2.gz NMHNURMNASUYMU-VQIMIIECSA-N 1 0 383.385 4.023 20 0 GIADRO CCOc1ccc(C(F)(F)F)cc1NC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000409813909 823314673 /nfs/dbraw/zinc/31/46/73/823314673.db2.gz FXSOCHYOFQGGQN-UHFFFAOYSA-N 1 0 395.425 4.487 20 0 GIADRO COc1cc(CN(C)C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)ccc1SC ZINC000057613266 823314707 /nfs/dbraw/zinc/31/47/07/823314707.db2.gz HMXADMUVRMDEQF-QGZVFWFLSA-N 1 0 393.597 4.213 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)N2CCC(c3c[nH]c4ncccc34)CC2)cc1 ZINC000409796024 823309666 /nfs/dbraw/zinc/30/96/66/823309666.db2.gz PDXGSEKQIYNIPH-UHFFFAOYSA-N 1 0 390.531 4.425 20 0 GIADRO O[C@@H]1CC[C@H](C[NH2+]Cc2ccc(OCc3ccccc3)c(Br)c2)C1 ZINC000188809056 823310134 /nfs/dbraw/zinc/31/01/34/823310134.db2.gz CNAXCBNDYKSROQ-FUHWJXTLSA-N 1 0 390.321 4.279 20 0 GIADRO Cc1sc(CCNC(=O)C2(C[NH+](C)C)CCCCC2)nc1-c1ccccc1 ZINC000460188460 823310307 /nfs/dbraw/zinc/31/03/07/823310307.db2.gz ACUWHRWZXFPYLL-UHFFFAOYSA-N 1 0 385.577 4.289 20 0 GIADRO COc1ccc(CCC2CC[NH+](CC(=O)N[C@@H](C)c3cccs3)CC2)cc1 ZINC000011419879 818079654 /nfs/dbraw/zinc/07/96/54/818079654.db2.gz BDOSJKLQBWPSOG-KRWDZBQOSA-N 1 0 386.561 4.279 20 0 GIADRO COc1ccc(CCC2CC[NH+]([C@@H](C)C(=O)NCc3cccs3)CC2)cc1 ZINC000011419983 818079711 /nfs/dbraw/zinc/07/97/11/818079711.db2.gz NXPLDWSNYHOQNT-KRWDZBQOSA-N 1 0 386.561 4.106 20 0 GIADRO CC(C)C[N@H+](CC(=O)Nc1cc2c(cc1Cl)OCCCO2)C1CCCC1 ZINC000572270413 823310974 /nfs/dbraw/zinc/31/09/74/823310974.db2.gz VXEUZEGNTDCSHH-UHFFFAOYSA-N 1 0 380.916 4.340 20 0 GIADRO O=C(Nc1ncc(C2CC[NH2+]CC2)s1)c1ncccc1Oc1ccccc1 ZINC000572272742 823311344 /nfs/dbraw/zinc/31/13/44/823311344.db2.gz WKKDBEGVGPWWDL-UHFFFAOYSA-N 1 0 380.473 4.050 20 0 GIADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)CC2CCC(c3ccccc3)CC2)CC1 ZINC000572272698 823311355 /nfs/dbraw/zinc/31/13/55/823311355.db2.gz QGSYMNYKNJKSBF-RHLIELRHSA-N 1 0 384.564 4.095 20 0 GIADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)CC2CCC(c3ccccc3)CC2)CC1 ZINC000572272699 823311539 /nfs/dbraw/zinc/31/15/39/823311539.db2.gz QGSYMNYKNJKSBF-YAEYMGIVSA-N 1 0 384.564 4.095 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(COc3ccc(C)cc3C)o2)[C@H](C)C1 ZINC000122136641 823311726 /nfs/dbraw/zinc/31/17/26/823311726.db2.gz GFVHJGDPUTZLIA-QUCCMNQESA-N 1 0 384.520 4.278 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(COc3ccc(C)cc3C)o2)[C@H](C)C1 ZINC000122136845 823311790 /nfs/dbraw/zinc/31/17/90/823311790.db2.gz GFVHJGDPUTZLIA-UYAOXDASSA-N 1 0 384.520 4.278 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@H]2CCc3sc(Cl)cc32)ccc1S(C)(=O)=O ZINC000572291951 823314990 /nfs/dbraw/zinc/31/49/90/823314990.db2.gz KDKJXOWSNQWQAA-MFKMUULPSA-N 1 0 385.938 4.152 20 0 GIADRO Cc1nc(C2CCCC2)sc1C(=O)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000572283822 823313206 /nfs/dbraw/zinc/31/32/06/823313206.db2.gz BBPRIFDDWAOKCM-UHFFFAOYSA-N 1 0 376.551 4.285 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(-c4ccc(F)cc4)o3)cc2)CC1 ZINC000011948412 818132180 /nfs/dbraw/zinc/13/21/80/818132180.db2.gz PCOGEYNWNGQRQS-UHFFFAOYSA-N 1 0 393.462 4.480 20 0 GIADRO c1csc(-c2nn(Cc3ccccc3)cc2C[NH2+][C@H]2CCc3nc[nH]c3C2)c1 ZINC000572290997 823314563 /nfs/dbraw/zinc/31/45/63/823314563.db2.gz UNVHUSGOXOXRCS-SFHVURJKSA-N 1 0 389.528 4.030 20 0 GIADRO Clc1ccc2c(c1)nccc2SCC[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000122166254 823315422 /nfs/dbraw/zinc/31/54/22/823315422.db2.gz UKONXWITIVRETF-FUHWJXTLSA-N 1 0 380.966 4.187 20 0 GIADRO COC(=O)c1ccccc1-c1ccc(C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)o1 ZINC000572296916 823315780 /nfs/dbraw/zinc/31/57/80/823315780.db2.gz ZHZNNWYGIPQVRJ-OAHLLOKOSA-N 1 0 385.851 4.030 20 0 GIADRO CO[C@H](C)c1nc(C)c(C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)s1 ZINC000176878709 823316027 /nfs/dbraw/zinc/31/60/27/823316027.db2.gz AWQGQAKLYGYGFW-FMKPAKJESA-N 1 0 393.578 4.033 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)Nc2nc3c(s2)CCCC3)CC1 ZINC000409819029 823316236 /nfs/dbraw/zinc/31/62/36/823316236.db2.gz UMXXVHCOYGBOMU-UHFFFAOYSA-N 1 0 384.549 4.116 20 0 GIADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cccc(C(F)(F)F)c3)n2CC)CC1 ZINC000460204091 823316358 /nfs/dbraw/zinc/31/63/58/823316358.db2.gz SVVDZWWCYBYBIT-UHFFFAOYSA-N 1 0 395.473 4.294 20 0 GIADRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)Cc1cccc2cccnc21 ZINC000122169768 823316431 /nfs/dbraw/zinc/31/64/31/823316431.db2.gz HNWGQLIQMPOWTA-RTBURBONSA-N 1 0 387.527 4.050 20 0 GIADRO CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000460218062 823320879 /nfs/dbraw/zinc/32/08/79/823320879.db2.gz BKJMRXNJTBTKQE-PBHICJAKSA-N 1 0 393.457 4.047 20 0 GIADRO C[NH+](C)CC1(C(=O)NCC2(c3cccc(Cl)c3)CCOCC2)CCCCC1 ZINC000460205858 823316840 /nfs/dbraw/zinc/31/68/40/823316840.db2.gz YAOLQZSBHFMSNB-UHFFFAOYSA-N 1 0 392.971 4.017 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)c2cccnc2C(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000188848930 823316933 /nfs/dbraw/zinc/31/69/33/823316933.db2.gz FZZVAYVYQTYIPI-NVXWUHKLSA-N 1 0 391.437 4.226 20 0 GIADRO COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]C[C@H]2CCN(c3cccc(OC)c3)C2)cc1 ZINC000572308498 823317356 /nfs/dbraw/zinc/31/73/56/823317356.db2.gz BHGMHVGTKPWSIP-MCJPXMOYSA-N 1 0 380.532 4.312 20 0 GIADRO CCn1c(Cc2cccc3ccccc32)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000460213323 823319097 /nfs/dbraw/zinc/31/90/97/823319097.db2.gz UXQJLGKBAJZECP-AVRDEDQJSA-N 1 0 391.563 4.209 20 0 GIADRO C[NH+](C)CC1CCC(NC(=O)C2(c3cc(F)cc(C(F)(F)F)c3)CC2)CC1 ZINC000188863732 823319200 /nfs/dbraw/zinc/31/92/00/823319200.db2.gz SWDMAAQDIYXWEB-UHFFFAOYSA-N 1 0 386.433 4.113 20 0 GIADRO Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3cc(C[NH+](C)C)ccn3)cc12 ZINC000176896078 823319638 /nfs/dbraw/zinc/31/96/38/823319638.db2.gz RQSAKVKSKSKXEL-UHFFFAOYSA-N 1 0 391.500 4.104 20 0 GIADRO C[NH+](C)CCC1CCN(C(=O)N[C@H]2CCCc3cc(OC(F)F)ccc32)CC1 ZINC000057662890 823319696 /nfs/dbraw/zinc/31/96/96/823319696.db2.gz KMKKQYALFMVBIF-IBGZPJMESA-N 1 0 395.494 4.039 20 0 GIADRO C[NH+](C)CCC1CCN(C(=O)N[C@@H]2CCCc3cc(OC(F)F)ccc32)CC1 ZINC000057662887 823319714 /nfs/dbraw/zinc/31/97/14/823319714.db2.gz KMKKQYALFMVBIF-LJQANCHMSA-N 1 0 395.494 4.039 20 0 GIADRO CCn1c(Cc2cccc3ccccc32)nnc1N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000460215108 823319911 /nfs/dbraw/zinc/31/99/11/823319911.db2.gz WYPMQXGJNHDZAM-GHTZIAJQSA-N 1 0 391.563 4.351 20 0 GIADRO COc1ccc(C[C@](C)(O)C[NH2+][C@@H]2CCC[C@@H]2c2ccc(C)cc2)cc1OC ZINC000572327433 823321434 /nfs/dbraw/zinc/32/14/34/823321434.db2.gz IBVZCIPCMDUWOY-LGVFNWMJSA-N 1 0 383.532 4.232 20 0 GIADRO Cc1cc(C(=O)Nc2cc(C[NH+](C)C)ccn2)c(C)n1[C@H](C)c1ccccc1 ZINC000176905371 823321441 /nfs/dbraw/zinc/32/14/41/823321441.db2.gz KFMFTPOZUPWHHR-QGZVFWFLSA-N 1 0 376.504 4.423 20 0 GIADRO CC[C@]1(C[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)OCCc2ccccc21 ZINC000572327281 823321576 /nfs/dbraw/zinc/32/15/76/823321576.db2.gz AIWKLOFDPJFJRI-RUZDIDTESA-N 1 0 396.550 4.300 20 0 GIADRO CC[NH+](CC)CCNC(=O)c1cc(-c2ccccc2C)nc2c1cnn2C(C)C ZINC000014203571 818227497 /nfs/dbraw/zinc/22/74/97/818227497.db2.gz FLVYGIIBZLEFQB-UHFFFAOYSA-N 1 0 393.535 4.059 20 0 GIADRO COc1ccc(C(=O)Nc2cccc(CN3C[C@@H]([NH+]4CCCC4)C[C@H]3C)c2)cc1 ZINC000572352036 823326131 /nfs/dbraw/zinc/32/61/31/823326131.db2.gz PDJCAYUDGLEMPP-GCJKJVERSA-N 1 0 393.531 4.006 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2sc3nc(C(F)(F)F)ccc3c2C)[C@H](C)C1 ZINC000122211613 823322097 /nfs/dbraw/zinc/32/20/97/823322097.db2.gz FHILMACAUKZNIM-BXUZGUMPSA-N 1 0 399.482 4.426 20 0 GIADRO COc1ccccc1SCC(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000122214575 823322498 /nfs/dbraw/zinc/32/24/98/823322498.db2.gz VDFOXRZXCKZDRO-UHFFFAOYSA-N 1 0 394.924 4.020 20 0 GIADRO C[C@@H]([NH2+]C1(CNC(=O)N2CCC(F)(F)[C@H](C)C2)CCCC1)c1ccccc1 ZINC000460222833 823322596 /nfs/dbraw/zinc/32/25/96/823322596.db2.gz AASZKSXGYLFTGD-IAGOWNOFSA-N 1 0 379.495 4.337 20 0 GIADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000176913659 823323123 /nfs/dbraw/zinc/32/31/23/823323123.db2.gz KVBXBHOZHAYHRB-LBPRGKRZSA-N 1 0 389.348 4.295 20 0 GIADRO Cc1cccc2nc(C3CC[NH+](Cc4ccc(-n5cncn5)c(C)c4)CC3)oc21 ZINC000188886008 823323124 /nfs/dbraw/zinc/32/31/24/823323124.db2.gz VZSLFWXHMRUWRQ-UHFFFAOYSA-N 1 0 387.487 4.405 20 0 GIADRO Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]Cc1ccc(C(F)(F)F)cc1C ZINC000188907210 823326342 /nfs/dbraw/zinc/32/63/42/823326342.db2.gz OYJHFFRUCYPMJA-UHFFFAOYSA-N 1 0 395.347 4.287 20 0 GIADRO C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000572340825 823324307 /nfs/dbraw/zinc/32/43/07/823324307.db2.gz RIUKRDBCUWEUDX-JEBQAFNWSA-N 1 0 375.900 4.324 20 0 GIADRO Cc1cccnc1C(C)(C)CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000460230658 823324684 /nfs/dbraw/zinc/32/46/84/823324684.db2.gz HLXIOPFSSUELPH-SFHVURJKSA-N 1 0 382.552 4.096 20 0 GIADRO C[C@H]([NH2+][C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)c1cccc(CO)c1 ZINC000122229159 823324735 /nfs/dbraw/zinc/32/47/35/823324735.db2.gz FWJYFZNETDSKJS-LRDDRELGSA-N 1 0 399.844 4.176 20 0 GIADRO OC1CC[NH+](Cc2ccc(CNc3ncc(-c4ccccc4)s3)cc2)CC1 ZINC000176921326 823324799 /nfs/dbraw/zinc/32/47/99/823324799.db2.gz YQBOZXICGZMFPU-UHFFFAOYSA-N 1 0 379.529 4.379 20 0 GIADRO Cc1cc(C[NH2+]C(C)(C)c2ccc(OC(F)(F)F)cc2)ccc1-n1cncn1 ZINC000188900549 823325289 /nfs/dbraw/zinc/32/52/89/823325289.db2.gz WEUICBQYJINYAH-UHFFFAOYSA-N 1 0 390.409 4.499 20 0 GIADRO CN(C(=O)c1cccc(C2CCC2)c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000409852689 823326576 /nfs/dbraw/zinc/32/65/76/823326576.db2.gz JTXVTNGXQOIEAB-BJKOFHAPSA-N 1 0 397.607 4.363 20 0 GIADRO O=C(Nc1ccccc1O)C1CC[NH+](Cc2cc3ccccc3nc2Cl)CC1 ZINC000015044147 818286076 /nfs/dbraw/zinc/28/60/76/818286076.db2.gz UWZODEQMJOTVRN-UHFFFAOYSA-N 1 0 395.890 4.445 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCCCC1)N1CCCc2occc2C1 ZINC000460233656 823325777 /nfs/dbraw/zinc/32/57/77/823325777.db2.gz VMYZCKGTNBBRBO-UHFFFAOYSA-N 1 0 381.520 4.314 20 0 GIADRO C[C@@H](O)[C@@](C)(C[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)Cc1ccccc1 ZINC000188903835 823325815 /nfs/dbraw/zinc/32/58/15/823325815.db2.gz YCGXLEDCBKEDIQ-AGTGTDPFSA-N 1 0 390.568 4.042 20 0 GIADRO CN(C(=O)c1cccc(C2CCC2)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000409852692 823326852 /nfs/dbraw/zinc/32/68/52/823326852.db2.gz JTXVTNGXQOIEAB-ZEQRLZLVSA-N 1 0 397.607 4.363 20 0 GIADRO COc1ccc(C)cc1CC[NH2+]Cc1cc(OC)c(OC)cc1Br ZINC000015185560 818297905 /nfs/dbraw/zinc/29/79/05/818297905.db2.gz FGQXGCRYVIXOPG-UHFFFAOYSA-N 1 0 394.309 4.116 20 0 GIADRO O=C(CC[N@@H+]1CC[C@H](c2cccnc2)C1)N[C@H](c1cccs1)c1ccccc1 ZINC000572360104 823327406 /nfs/dbraw/zinc/32/74/06/823327406.db2.gz GJLZDKHDKIAQTP-REWPJTCUSA-N 1 0 391.540 4.228 20 0 GIADRO CCC[N@H+](CCOc1ccc(Cl)cc1)CC(=O)Nc1ccccc1OC ZINC000015299784 818309374 /nfs/dbraw/zinc/30/93/74/818309374.db2.gz UIHYXCZUUDDIDV-UHFFFAOYSA-N 1 0 376.884 4.078 20 0 GIADRO Cc1ccccc1-n1ncc(C(=O)Nc2cc(C[NH+](C)C)ccn2)c1C(C)C ZINC000188918367 823328343 /nfs/dbraw/zinc/32/83/43/823328343.db2.gz ZFBBWZKVDMVQDG-UHFFFAOYSA-N 1 0 377.492 4.013 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)Cc1cccc(Br)c1C ZINC000188946921 823331940 /nfs/dbraw/zinc/33/19/40/823331940.db2.gz UNZXPPZOAGZOHJ-UHFFFAOYSA-N 1 0 375.310 4.309 20 0 GIADRO COc1ccc(OCC[NH2+][C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)cc1 ZINC000015506876 818332305 /nfs/dbraw/zinc/33/23/05/818332305.db2.gz KLNWVSPFZYDAHL-JOCHJYFZSA-N 1 0 394.446 4.183 20 0 GIADRO CCCC(=O)Nc1cccc(C[NH2+]C[C@@H](O)COc2cccc3ccccc32)c1 ZINC000572393433 823332063 /nfs/dbraw/zinc/33/20/63/823332063.db2.gz JYVINWSEGAFDJZ-OAQYLSRUSA-N 1 0 392.499 4.108 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)CSc3ccc4c(c3)CCC4)cc2)CC1 ZINC000015514850 818333298 /nfs/dbraw/zinc/33/32/98/818333298.db2.gz YDAMRAFQXHRPSL-UHFFFAOYSA-N 1 0 395.572 4.048 20 0 GIADRO Cc1occc1C(=O)Nc1cc(NC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)ccc1F ZINC000122262454 823329184 /nfs/dbraw/zinc/32/91/84/823329184.db2.gz HMFVNWBEJXJJCH-MJBXVCDLSA-N 1 0 387.455 4.179 20 0 GIADRO c1c(C[NH2+]CCCOc2ccccc2)c(-c2cccnc2)nn1-c1ccccc1 ZINC000015581841 818342388 /nfs/dbraw/zinc/34/23/88/818342388.db2.gz DDQRVODYIFGLHA-UHFFFAOYSA-N 1 0 384.483 4.493 20 0 GIADRO Nc1ccc2c(c1)CC[C@@H]2NC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000572379811 823329838 /nfs/dbraw/zinc/32/98/38/823329838.db2.gz RBWPAFBBAWUNOS-QFIPXVFZSA-N 1 0 378.520 4.106 20 0 GIADRO CC[C@H](C)Sc1ccc(NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c(C)c1 ZINC000176940913 823329925 /nfs/dbraw/zinc/32/99/25/823329925.db2.gz WTLNZIUICLVTFU-ROUUACIJSA-N 1 0 391.581 4.072 20 0 GIADRO Cc1nc(-c2ccccc2)c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)s1 ZINC000015613265 818347892 /nfs/dbraw/zinc/34/78/92/818347892.db2.gz PNEXWGMBHSXXSX-UHFFFAOYSA-N 1 0 392.528 4.123 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc3oc(C(F)(F)F)nc3c2)C1 ZINC000176944812 823331275 /nfs/dbraw/zinc/33/12/75/823331275.db2.gz ZUBUNCSSYZWUOH-GFCCVEGCSA-N 1 0 384.402 4.042 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1)c1ccc(-c2cccnc2)cc1 ZINC000572389443 823331466 /nfs/dbraw/zinc/33/14/66/823331466.db2.gz SFTZHCZLFJJYMF-HRAATJIYSA-N 1 0 382.891 4.493 20 0 GIADRO O=C(COc1c(Cl)cccc1Cl)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000015988665 818381705 /nfs/dbraw/zinc/38/17/05/818381705.db2.gz GKJPMIKTZPDPKT-MRXNPFEDSA-N 1 0 397.302 4.309 20 0 GIADRO C[C@@H]1OCC[C@]1(O)C[N@H+](Cc1ccccc1)Cc1cccc(-c2ccncc2)c1 ZINC000572409368 823334104 /nfs/dbraw/zinc/33/41/04/823334104.db2.gz KRJGCRMMSQWLTA-CPJSRVTESA-N 1 0 388.511 4.291 20 0 GIADRO COc1ccc(CCCN(C)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000057798424 823334253 /nfs/dbraw/zinc/33/42/53/823334253.db2.gz FBCSUTAYKVXZDM-UHFFFAOYSA-N 1 0 395.547 4.065 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)C1=Cc2cc(Cl)ccc2OC1 ZINC000016181894 818402144 /nfs/dbraw/zinc/40/21/44/818402144.db2.gz UCYAEGIWGHGEDJ-UHFFFAOYSA-N 1 0 382.891 4.028 20 0 GIADRO COc1cccc([C@@H](CNC(=S)Nc2ccc(Cl)cc2)[NH+]2CCCC2)c1 ZINC000016244924 818410325 /nfs/dbraw/zinc/41/03/25/818410325.db2.gz INMKFAOBRZRTOR-LJQANCHMSA-N 1 0 389.952 4.472 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)CSc1ccc2ccccc2c1)Cc1ccccc1 ZINC000016259009 818411754 /nfs/dbraw/zinc/41/17/54/818411754.db2.gz LRFSNODWTIHZOX-NRFANRHFSA-N 1 0 378.541 4.221 20 0 GIADRO COc1ccc([C@H](CNC(=S)Nc2ccc(C)cc2C)[NH+]2CCCC2)cc1 ZINC000016315650 818421756 /nfs/dbraw/zinc/42/17/56/818421756.db2.gz JLDHSLAVOYKOHJ-NRFANRHFSA-N 1 0 383.561 4.436 20 0 GIADRO Cc1cccc(C)c1NC(=O)COC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000016401948 818436178 /nfs/dbraw/zinc/43/61/78/818436178.db2.gz OKKYPVSZXHNZGX-UHFFFAOYSA-N 1 0 380.488 4.085 20 0 GIADRO Cc1ccc2c(COC(=O)c3ccc(C[NH+]4CCCCC4)cc3)cc(=O)oc2c1 ZINC000016402153 818436220 /nfs/dbraw/zinc/43/62/20/818436220.db2.gz FILMDWOVYHFVEE-UHFFFAOYSA-N 1 0 391.467 4.444 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)Cc3ccc(C(F)(F)F)cc3)cc2)CC1 ZINC000016470171 818446181 /nfs/dbraw/zinc/44/61/81/818446181.db2.gz GLNDOWALRDDOTK-UHFFFAOYSA-N 1 0 391.437 4.029 20 0 GIADRO CC1(C)CC(=O)c2cc(NC(=O)C3CC[NH+](Cc4ccccc4)CC3)ccc2O1 ZINC000572431275 823338103 /nfs/dbraw/zinc/33/81/03/823338103.db2.gz HGBOFAJQIVGPDQ-UHFFFAOYSA-N 1 0 392.499 4.281 20 0 GIADRO COc1cc(C[N@H+](C)Cc2cc(=O)oc3cc(C)ccc23)ccc1OC(F)F ZINC000016591935 818457643 /nfs/dbraw/zinc/45/76/43/818457643.db2.gz FAAJEAAACNOVEQ-UHFFFAOYSA-N 1 0 389.398 4.343 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1ccc(-n2cnc3ccccc32)cc1)c1ccccc1 ZINC000016599610 818458958 /nfs/dbraw/zinc/45/89/58/818458958.db2.gz WTYWAORLXWLUDI-QHCPKHFHSA-N 1 0 384.483 4.058 20 0 GIADRO Cc1cc(SCC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)nc2ccccc12 ZINC000016600012 818458996 /nfs/dbraw/zinc/45/89/96/818458996.db2.gz QQNLFQDCHRAJNP-FQEVSTJZSA-N 1 0 379.529 4.054 20 0 GIADRO O=S1(=O)CCC(C[NH2+][C@@H](Cc2ccccc2Cl)c2ccsc2)CC1 ZINC000572455621 823343103 /nfs/dbraw/zinc/34/31/03/823343103.db2.gz ONNCFALDWAUXOA-SFHVURJKSA-N 1 0 383.966 4.100 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCCC1)Nc1cccc(-n2cccn2)c1 ZINC000057863006 823343113 /nfs/dbraw/zinc/34/31/13/823343113.db2.gz LQWFKAJUWAJTKV-UHFFFAOYSA-N 1 0 389.503 4.180 20 0 GIADRO O=C(NC[C@@H]1CCCCN1Cc1cccc(Cl)c1)c1c(F)ccc(O)c1F ZINC000572444855 823340474 /nfs/dbraw/zinc/34/04/74/823340474.db2.gz IESMNSLIBZUCGK-HNNXBMFYSA-N 1 0 394.849 4.108 20 0 GIADRO CC[NH+](CC)CC1CCN([C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000057847230 823341001 /nfs/dbraw/zinc/34/10/01/823341001.db2.gz VPHHTIFLYPYJSO-AWEZNQCLSA-N 1 0 386.367 4.374 20 0 GIADRO CC[C@H](C(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)c1ccc(F)cc1 ZINC000122340730 823341089 /nfs/dbraw/zinc/34/10/89/823341089.db2.gz URSJSOHJIJJSKW-FPOVZHCZSA-N 1 0 396.506 4.424 20 0 GIADRO C[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)c1cccc(OCc2ccccn2)c1 ZINC000460294584 823343285 /nfs/dbraw/zinc/34/32/85/823343285.db2.gz YKLGEUZGFIVLJR-LJQANCHMSA-N 1 0 395.547 4.350 20 0 GIADRO Cc1c(O)ccc2c(C[N@@H+](Cc3cccs3)C[C@H]3CCCO3)cc(=O)oc12 ZINC000017308106 818506905 /nfs/dbraw/zinc/50/69/05/818506905.db2.gz DLPMOQSJBLXARB-MRXNPFEDSA-N 1 0 385.485 4.050 20 0 GIADRO c1cn(CCc2noc([C@@H]3CCC[N@H+](Cc4cccnc4)C3)n2)c2ccccc12 ZINC000572448387 823341314 /nfs/dbraw/zinc/34/13/14/823341314.db2.gz KRBOAZPFKBMWLO-HXUWFJFHSA-N 1 0 387.487 4.042 20 0 GIADRO Cc1nc(-c2ccccc2Br)sc1[C@H](C)[NH2+][C@@H](C)C(=O)N(C)C ZINC000189007049 823341307 /nfs/dbraw/zinc/34/13/07/823341307.db2.gz CWRXBZWFPDUTNT-JQWIXIFHSA-N 1 0 396.354 4.008 20 0 GIADRO Cc1ccc(OCC[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)cc1 ZINC000017311995 818507848 /nfs/dbraw/zinc/50/78/48/818507848.db2.gz GSLAKVZDXIOIAV-UHFFFAOYSA-N 1 0 398.510 4.470 20 0 GIADRO Fc1ccc(-c2ccc(C[NH2+]C[C@@H]3CN(Cc4ccccc4)CCO3)o2)cc1 ZINC000017312306 818508678 /nfs/dbraw/zinc/50/86/78/818508678.db2.gz BUUYTBCWVGRGQJ-JOCHJYFZSA-N 1 0 380.463 4.076 20 0 GIADRO COc1ccc(C(=O)Nc2cccc(C[NH2+]CCc3ccccc3F)c2)cc1 ZINC000017317855 818509336 /nfs/dbraw/zinc/50/93/36/818509336.db2.gz SYTZXAGPSPPQMB-UHFFFAOYSA-N 1 0 378.447 4.419 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=S)Nc1ccc(C(C)=O)cc1)c1cccc(OC)c1 ZINC000017516690 818518080 /nfs/dbraw/zinc/51/80/80/818518080.db2.gz SYBZRHZHRXSHGH-OAQYLSRUSA-N 1 0 399.560 4.267 20 0 GIADRO Cc1c(C[N@H+](C)Cc2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)cnn1C ZINC000572452147 823342315 /nfs/dbraw/zinc/34/23/15/823342315.db2.gz DQROOMBFYUWYTO-OAHLLOKOSA-N 1 0 395.347 4.233 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)Nc1ccc2c(c1)OC(C)(C)O2 ZINC000057856974 823342538 /nfs/dbraw/zinc/34/25/38/823342538.db2.gz AXHKVYIFYOTOES-UHFFFAOYSA-N 1 0 383.492 4.356 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1cccc(-n2cccn2)c1)c1ccsc1 ZINC000057862225 823342840 /nfs/dbraw/zinc/34/28/40/823342840.db2.gz ULHKMFWQFUFPFS-IBGZPJMESA-N 1 0 383.521 4.138 20 0 GIADRO COc1ccc([C@H](CNC(=O)Cc2ccc3ccccc3c2)[NH+]2CCCC2)cc1 ZINC000017911447 818532703 /nfs/dbraw/zinc/53/27/03/818532703.db2.gz QWRFJJYXCFRIHA-DEOSSOPVSA-N 1 0 388.511 4.344 20 0 GIADRO C[C@H](C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)c1ccc(Cl)s1 ZINC000189024987 823343800 /nfs/dbraw/zinc/34/38/00/823343800.db2.gz VWRZDNFMWPEXGL-JVLSTEMRSA-N 1 0 384.879 4.045 20 0 GIADRO C[C@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)N1CCC[N@@H+](C2CC2)CC1 ZINC000176989402 823343808 /nfs/dbraw/zinc/34/38/08/823343808.db2.gz UIOLYWKZBCTTSU-GFCCVEGCSA-N 1 0 381.307 4.275 20 0 GIADRO CC/C(=C\C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)c1ccc(C)cc1 ZINC000176991422 823344327 /nfs/dbraw/zinc/34/43/27/823344327.db2.gz RKHXPWRIWNNBGK-CAPFRKAQSA-N 1 0 392.543 4.062 20 0 GIADRO CCn1c(C(C)C)nnc1N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000460311961 823349291 /nfs/dbraw/zinc/34/92/91/823349291.db2.gz LTCRGKJBYJUMHK-UHFFFAOYSA-N 1 0 395.473 4.153 20 0 GIADRO CC[C@@H](Cc1ccccc1)N(C)C(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000460298204 823344561 /nfs/dbraw/zinc/34/45/61/823344561.db2.gz OJBHRVGDLXGMEM-QHCPKHFHSA-N 1 0 393.575 4.310 20 0 GIADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2ccc3ccc(Cl)cc3n2)cc1 ZINC000176992814 823344812 /nfs/dbraw/zinc/34/48/12/823344812.db2.gz CHOVFKFKNPWWNM-UHFFFAOYSA-N 1 0 396.878 4.031 20 0 GIADRO O=C(NCc1cccc(F)c1)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000057888215 823344941 /nfs/dbraw/zinc/34/49/41/823344941.db2.gz OWZOZEDXENXKRQ-LJQANCHMSA-N 1 0 375.875 4.115 20 0 GIADRO C[NH+](C)CCN(Cc1ccccc1)C(=S)Nc1cccc(C(F)(F)F)c1 ZINC000018145740 818550561 /nfs/dbraw/zinc/55/05/61/818550561.db2.gz CUZGMCLCNVSBEK-UHFFFAOYSA-N 1 0 381.467 4.466 20 0 GIADRO Cc1nc2ccc(NC(=O)N[C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)cc2o1 ZINC000176993474 823345233 /nfs/dbraw/zinc/34/52/33/823345233.db2.gz UXMFJRRAKORSKG-BEFAXECRSA-N 1 0 378.476 4.311 20 0 GIADRO CSc1ccc(NC(=O)[C@H](C)N2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000057889349 823345436 /nfs/dbraw/zinc/34/54/36/823345436.db2.gz LHKJOIIQDIQDSV-SFHVURJKSA-N 1 0 389.609 4.324 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccc(OC(F)(F)F)cc1 ZINC000018163889 818553101 /nfs/dbraw/zinc/55/31/01/818553101.db2.gz CNRPUZOGQTUXHP-CYBMUJFWSA-N 1 0 375.460 4.136 20 0 GIADRO O=C(Nc1ccc(F)cc1F)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000018182409 818554617 /nfs/dbraw/zinc/55/46/17/818554617.db2.gz HVQZEFSIOXGWBH-UHFFFAOYSA-N 1 0 381.426 4.468 20 0 GIADRO CC(C)Oc1ccc(CNC(=O)NCc2ccccc2C[N@H+](C)C(C)C)cc1 ZINC000057894061 823345864 /nfs/dbraw/zinc/34/58/64/823345864.db2.gz ALDZIYYUHDEBLL-UHFFFAOYSA-N 1 0 383.536 4.313 20 0 GIADRO OC[C@@H](C[NH2+]Cc1cnn(C2CCCC2)c1-c1ccccc1)Cc1ccco1 ZINC000572472874 823346063 /nfs/dbraw/zinc/34/60/63/823346063.db2.gz JYYYCMQCAWLSFP-GOSISDBHSA-N 1 0 379.504 4.199 20 0 GIADRO C[C@H](NC(=O)c1cnccc1Oc1ccccc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000409943379 823349522 /nfs/dbraw/zinc/34/95/22/823349522.db2.gz PJBNBGICJQANJT-JTSKRJEESA-N 1 0 375.472 4.295 20 0 GIADRO CC(C)c1ccccc1OC[C@H](O)C[N@H+](C)Cc1ccccc1N1CCCC1 ZINC000057949179 823349862 /nfs/dbraw/zinc/34/98/62/823349862.db2.gz CRQIRQUVJVMMMR-OAQYLSRUSA-N 1 0 382.548 4.282 20 0 GIADRO Cc1c2cc(Cl)ccc2oc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000018706545 818575313 /nfs/dbraw/zinc/57/53/13/818575313.db2.gz XSZCUWDEUARCMR-UHFFFAOYSA-N 1 0 383.879 4.399 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)Cc3coc4cc(C)c(C)cc34)cc2)CC1 ZINC000018892069 818579391 /nfs/dbraw/zinc/57/93/91/818579391.db2.gz ZLZGRPSFQFPNAH-UHFFFAOYSA-N 1 0 391.515 4.373 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)Cc3ccc(Cl)cc3Cl)cc2)CC1 ZINC000018892209 818579422 /nfs/dbraw/zinc/57/94/22/818579422.db2.gz MQCRMEDGDYVLBF-UHFFFAOYSA-N 1 0 392.330 4.317 20 0 GIADRO C[C@@H](c1cccc(NC(=O)CC[C@@H]([NH3+])CC2CCCCC2)c1)N1CCOCC1 ZINC000572479752 823347363 /nfs/dbraw/zinc/34/73/63/823347363.db2.gz IDRPIBKFSVHGDM-GHTZIAJQSA-N 1 0 387.568 4.096 20 0 GIADRO Fc1ccc(NC(=S)NCc2ccc(C[NH+]3CCCCC3)cc2)c(F)c1 ZINC000018943666 818581575 /nfs/dbraw/zinc/58/15/75/818581575.db2.gz NDKDECAUPZQFPY-UHFFFAOYSA-N 1 0 375.488 4.437 20 0 GIADRO CO[C@H](CNC(=O)c1oc2ccccc2c1C[NH+](C)C)c1ccc(Cl)cc1 ZINC000460312786 823349639 /nfs/dbraw/zinc/34/96/39/823349639.db2.gz FESCVOYVPOIPTL-LJQANCHMSA-N 1 0 386.879 4.265 20 0 GIADRO Brc1cccc(-c2c[nH]c(C[N@@H+]3CCC[C@@H]3[C@@H]3CCCOC3)n2)c1 ZINC000572483871 823347583 /nfs/dbraw/zinc/34/75/83/823347583.db2.gz XYNGEYRMQAIROD-CRAIPNDOSA-N 1 0 390.325 4.230 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)NCC[C@H](c2ccccc2)C(F)(F)F)CC1 ZINC000572484518 823347917 /nfs/dbraw/zinc/34/79/17/823347917.db2.gz JBTCRRBLUOQEQT-LJQANCHMSA-N 1 0 399.501 4.484 20 0 GIADRO Cc1csc2nc(C[NH2+][C@H](Cc3ccccc3)c3ccccc3)cc(=O)n12 ZINC000019538924 818593973 /nfs/dbraw/zinc/59/39/73/818593973.db2.gz QCCPFVZHAQKHIN-HXUWFJFHSA-N 1 0 375.497 4.138 20 0 GIADRO COc1cc(NC(=O)C[NH2+][C@@H](Cc2ccccc2)c2ccccc2)cc(OC)c1 ZINC000019538757 818594045 /nfs/dbraw/zinc/59/40/45/818594045.db2.gz NBDPQHLLHUTDHA-QHCPKHFHSA-N 1 0 390.483 4.216 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)C[NH2+][C@@H](Cc2ccccc2)c2ccccc2)cc1 ZINC000019538743 818594054 /nfs/dbraw/zinc/59/40/54/818594054.db2.gz SHQQZKVQZXABOX-QHCPKHFHSA-N 1 0 387.483 4.157 20 0 GIADRO C[C@H](NC(=O)c1c[nH]nc1-c1cc2ccccc2o1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000189051601 823348688 /nfs/dbraw/zinc/34/86/88/823348688.db2.gz HLQCKQNVHQBYNB-RDJZCZTQSA-N 1 0 392.503 4.206 20 0 GIADRO Clc1cnc(OCC[NH2+]Cc2cnc(-c3ccncc3)s2)c(Cl)c1 ZINC000572508812 823351561 /nfs/dbraw/zinc/35/15/61/823351561.db2.gz NFUJPZRIXTWFIC-UHFFFAOYSA-N 1 0 381.288 4.076 20 0 GIADRO O[C@@H](C[NH2+]Cc1csc(-c2ccco2)n1)c1ccc(OC(F)(F)F)cc1 ZINC000057973963 823352038 /nfs/dbraw/zinc/35/20/38/823352038.db2.gz MORLJOZCHPFMHV-AWEZNQCLSA-N 1 0 384.379 4.125 20 0 GIADRO COc1cc(C[NH2+][C@@H]2CCN(CC(F)(F)F)C2)ccc1OCc1ccccc1 ZINC000057976763 823352270 /nfs/dbraw/zinc/35/22/70/823352270.db2.gz UNMLFSLOKVKMGF-GOSISDBHSA-N 1 0 394.437 4.000 20 0 GIADRO Cn1cc(C[NH2+]Cc2ccc(-c3ccc4c(c3)CCO4)cc2)c(-c2cccnc2)n1 ZINC000057979107 823352551 /nfs/dbraw/zinc/35/25/51/823352551.db2.gz SSZQOMWNYOSEEJ-UHFFFAOYSA-N 1 0 396.494 4.374 20 0 GIADRO CCC(CC)c1cc(CNC(=O)c2ccc(C[NH+]3CCSCC3)cc2)on1 ZINC000460322810 823353283 /nfs/dbraw/zinc/35/32/83/823353283.db2.gz AIUNKJVBQVUPLD-UHFFFAOYSA-N 1 0 387.549 4.057 20 0 GIADRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)C(C)(C)COCc3ccccc3)cccc21 ZINC000409956704 823353420 /nfs/dbraw/zinc/35/34/20/823353420.db2.gz OFMLEEHDHWBONJ-HXUWFJFHSA-N 1 0 382.504 4.253 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)N1CCC[C@@H]1CC1CCCCC1 ZINC000057992359 823353932 /nfs/dbraw/zinc/35/39/32/823353932.db2.gz NNIYLAQUSLVHQJ-JOCHJYFZSA-N 1 0 384.568 4.190 20 0 GIADRO CC(C)c1nnc2ccc(NC(=O)C3(C)CC[NH+](Cc4ccccc4)CC3)cn21 ZINC000189079843 823353953 /nfs/dbraw/zinc/35/39/53/823353953.db2.gz VXVMUZCXPHVCBL-UHFFFAOYSA-N 1 0 391.519 4.094 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(C)c(NC(=O)C(C)(C)C)c2)C1 ZINC000177030056 823354020 /nfs/dbraw/zinc/35/40/20/823354020.db2.gz ZQRNPZTXBYOKPG-KRWDZBQOSA-N 1 0 388.556 4.175 20 0 GIADRO C[C@@H]([NH2+]Cc1cnn(Cc2ccc(F)cc2)c1)c1ccc(N2CCCC2=O)cc1 ZINC000189086083 823354775 /nfs/dbraw/zinc/35/47/75/823354775.db2.gz HGMFXLXXHTYOJU-QGZVFWFLSA-N 1 0 392.478 4.048 20 0 GIADRO CS(=O)(=O)c1ccc(C[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)cc1 ZINC000189085034 823354935 /nfs/dbraw/zinc/35/49/35/823354935.db2.gz CAKRPENBEJQMKI-UHFFFAOYSA-N 1 0 377.815 4.052 20 0 GIADRO Cc1sc(NC(=O)CNC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)c(C)c1C ZINC000460351176 823361046 /nfs/dbraw/zinc/36/10/46/823361046.db2.gz SFTDPVXRWALGQN-HOTGVXAUSA-N 1 0 399.604 4.358 20 0 GIADRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000409979858 823361054 /nfs/dbraw/zinc/36/10/54/823361054.db2.gz MCNYKBKEJWIQTB-LLVKDONJSA-N 1 0 382.348 4.186 20 0 GIADRO CC(C)[NH+]1CCC(C(=O)N2CC=C(c3cccc(Br)c3)CC2)CC1 ZINC000572537922 823357007 /nfs/dbraw/zinc/35/70/07/823357007.db2.gz BXSWCZQBXMRNIE-UHFFFAOYSA-N 1 0 391.353 4.185 20 0 GIADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc3c(ccn3Cc3ccccc3)c2)C1 ZINC000572544060 823357951 /nfs/dbraw/zinc/35/79/51/823357951.db2.gz NPUVMQWHIGBGSX-FQEVSTJZSA-N 1 0 375.516 4.150 20 0 GIADRO COCc1cccc(NC(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)c1 ZINC000058058309 823357983 /nfs/dbraw/zinc/35/79/83/823357983.db2.gz RIGSJGDRZCRALP-FQEVSTJZSA-N 1 0 387.911 4.445 20 0 GIADRO O=C([C@@H]1CCCC(F)(F)C1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000409969583 823358075 /nfs/dbraw/zinc/35/80/75/823358075.db2.gz DAFKYZJNZOELTQ-TZIWHRDSSA-N 1 0 376.491 4.327 20 0 GIADRO Cc1nc(CN2CCC(C[NH2+][C@H](C)CCc3ccc(F)cc3F)CC2)oc1C ZINC000572548791 823358910 /nfs/dbraw/zinc/35/89/10/823358910.db2.gz PXXRWMMGXLMNOC-OAHLLOKOSA-N 1 0 391.506 4.393 20 0 GIADRO O=C(CCCOc1cccc(F)c1)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000572549164 823358991 /nfs/dbraw/zinc/35/89/91/823358991.db2.gz KCZMAGZVLKXBLG-DEOSSOPVSA-N 1 0 396.506 4.109 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(NC(=O)C2CCC2)c1)c1cccc(N2CCCC2=O)c1 ZINC000122472322 823359605 /nfs/dbraw/zinc/35/96/05/823359605.db2.gz IHURAFYHTLWTHW-QGZVFWFLSA-N 1 0 391.515 4.403 20 0 GIADRO C[C@H](CNC(=O)Nc1ccc2oc(C3CC3)nc2c1)[N@@H+]1CCc2ccccc2C1 ZINC000058073034 823359622 /nfs/dbraw/zinc/35/96/22/823359622.db2.gz REYIYSPHQNDAMC-OAHLLOKOSA-N 1 0 390.487 4.274 20 0 GIADRO CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@@H]3CSc4ccccc43)c2)CC1 ZINC000122476094 823359984 /nfs/dbraw/zinc/35/99/84/823359984.db2.gz UBWHEEIIYXOJHP-HXUWFJFHSA-N 1 0 381.545 4.045 20 0 GIADRO Cc1ccc(CC[NH2+]Cc2cc(Br)cc(Br)c2)cn1 ZINC000572557317 823360519 /nfs/dbraw/zinc/36/05/19/823360519.db2.gz QHGLKBIWOOJFBI-UHFFFAOYSA-N 1 0 384.115 4.247 20 0 GIADRO Cc1ccc(-c2c[nH]cc2C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)s1 ZINC000189123552 823360526 /nfs/dbraw/zinc/36/05/26/823360526.db2.gz HIDKAURCFWWAJF-LJQANCHMSA-N 1 0 393.556 4.346 20 0 GIADRO Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]CCc1cccc(C(=O)N(C)C)c1 ZINC000122479657 823360637 /nfs/dbraw/zinc/36/06/37/823360637.db2.gz DBCRPTHANPYKDD-HXUWFJFHSA-N 1 0 386.923 4.396 20 0 GIADRO CS[C@H]1CN(CCOC(c2ccccc2)c2ccccc2)C[C@@H]1[NH+]1CCCC1 ZINC000460354080 823362107 /nfs/dbraw/zinc/36/21/07/823362107.db2.gz SATAXRKPQXEWRA-GOTSBHOMSA-N 1 0 396.600 4.304 20 0 GIADRO C[C@H]([NH2+]C[C@@H]1COc2ccccc21)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000572593849 823366894 /nfs/dbraw/zinc/36/68/94/823366894.db2.gz QKUKJMIFIIROIN-FUHWJXTLSA-N 1 0 385.529 4.230 20 0 GIADRO COc1ccccc1-c1ccc(C[NH+]2CCC(C(=O)N3CCCC3)CC2)cc1 ZINC000122490270 823362371 /nfs/dbraw/zinc/36/23/71/823362371.db2.gz NNUUIHUQXQDSED-UHFFFAOYSA-N 1 0 378.516 4.197 20 0 GIADRO CC(C)Sc1c(Cl)cccc1NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000177063986 823362650 /nfs/dbraw/zinc/36/26/50/823362650.db2.gz MBQKJFNVCSBWLX-OAHLLOKOSA-N 1 0 397.972 4.027 20 0 GIADRO O=C(CCN1CC[NH+](Cc2ccccc2)CC1)Nc1cc(Cl)ccc1Cl ZINC000022197583 818781977 /nfs/dbraw/zinc/78/19/77/818781977.db2.gz BGCNOMVSKUBPFI-UHFFFAOYSA-N 1 0 392.330 4.140 20 0 GIADRO O=C(CC[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)Nc1cccc(Cl)c1 ZINC000022199267 818782597 /nfs/dbraw/zinc/78/25/97/818782597.db2.gz IQNIHYCMKDGWTP-GOSISDBHSA-N 1 0 386.879 4.277 20 0 GIADRO CN(CC[NH+](C)C)C(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)F ZINC000177066363 823363397 /nfs/dbraw/zinc/36/33/97/823363397.db2.gz XSJWXMNZRGIEOU-UHFFFAOYSA-N 1 0 385.402 4.088 20 0 GIADRO C[C@@H](Sc1nc2ccccc2s1)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000022457716 818809158 /nfs/dbraw/zinc/80/91/58/818809158.db2.gz CRMFRHTUIOZASC-RHSMWYFYSA-N 1 0 385.558 4.196 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)Nc2cc(Br)c(F)cc2F)CC1 ZINC000189159070 823367471 /nfs/dbraw/zinc/36/74/71/823367471.db2.gz RXMQIBRCJBZWQM-UHFFFAOYSA-N 1 0 390.272 4.065 20 0 GIADRO CCc1ccc(CCC(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCC2)cc1 ZINC000022680035 818842335 /nfs/dbraw/zinc/84/23/35/818842335.db2.gz NEJPAMJMESOVBB-JOCHJYFZSA-N 1 0 380.532 4.144 20 0 GIADRO CCc1ccc([C@H](CNC(=O)CCc2ncc(-c3ccccc3)o2)[NH+](C)C)cc1 ZINC000022684676 818843657 /nfs/dbraw/zinc/84/36/57/818843657.db2.gz MMPDEVTVJCNVBV-NRFANRHFSA-N 1 0 391.515 4.256 20 0 GIADRO S=c1[nH]nc(CCC2CCCC2)n1CN1CC[NH+](CC2CCCCC2)CC1 ZINC000058206540 823368618 /nfs/dbraw/zinc/36/86/18/823368618.db2.gz XVSFQSXVHTZEHY-UHFFFAOYSA-N 1 0 391.629 4.219 20 0 GIADRO COc1cc(C[NH2+]CCOc2ccc(C)cc2)ccc1OCc1c(C)noc1C ZINC000022775680 818859712 /nfs/dbraw/zinc/85/97/12/818859712.db2.gz MUUOGJYPYJNIHX-UHFFFAOYSA-N 1 0 396.487 4.356 20 0 GIADRO CCNC(=O)COc1ccc(C[NH2+][C@@H](C)c2ccc3ccccc3c2)cc1OC ZINC000022782960 818860243 /nfs/dbraw/zinc/86/02/43/818860243.db2.gz HHCXRXKGXHBGIG-KRWDZBQOSA-N 1 0 392.499 4.214 20 0 GIADRO C[NH+](C)CCCOC1CCN(C(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)CC1 ZINC000177108036 823373201 /nfs/dbraw/zinc/37/32/01/823373201.db2.gz ZLONKJVANMJDQC-MOPGFXCFSA-N 1 0 399.362 4.056 20 0 GIADRO O=C(NC1(c2ccc(F)cc2)CCOCC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000410011503 823370759 /nfs/dbraw/zinc/37/07/59/823370759.db2.gz SMFCODCLETUPLS-UHFFFAOYSA-N 1 0 396.506 4.247 20 0 GIADRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000023016863 818888084 /nfs/dbraw/zinc/88/80/84/818888084.db2.gz PANQLIGMIZBFCY-UHFFFAOYSA-N 1 0 382.451 4.409 20 0 GIADRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)c1ccc(Br)cc1 ZINC000023016950 818888280 /nfs/dbraw/zinc/88/82/80/818888280.db2.gz JEVNVUMLAIDSOY-UHFFFAOYSA-N 1 0 393.350 4.153 20 0 GIADRO CC[NH+](CC)CC(=O)Nc1cccc(N[C@H](COC)c2cccc(Cl)c2)c1 ZINC000572626014 823370996 /nfs/dbraw/zinc/37/09/96/823370996.db2.gz CPPXAMRRCRHCLJ-HXUWFJFHSA-N 1 0 389.927 4.420 20 0 GIADRO COCCOCc1ccc(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C(C)C)cc1 ZINC000572625385 823371042 /nfs/dbraw/zinc/37/10/42/823371042.db2.gz CAUAKOTVMDCCQR-QHCPKHFHSA-N 1 0 385.504 4.108 20 0 GIADRO COC(=O)c1cccc(C[NH2+][C@H](c2cccc(OC(F)(F)F)c2)C2CC2)n1 ZINC000572625905 823371158 /nfs/dbraw/zinc/37/11/58/823371158.db2.gz AOLSLNFHXXXUBW-KRWDZBQOSA-N 1 0 380.366 4.008 20 0 GIADRO [NH3+]C1(c2noc(-c3cnn(-c4ncccc4Cl)c3C(F)F)n2)CCCCC1 ZINC000572630906 823371759 /nfs/dbraw/zinc/37/17/59/823371759.db2.gz IQXAFYPRIVEPDF-UHFFFAOYSA-N 1 0 394.813 4.026 20 0 GIADRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)Nc1cccc(Cl)c1)c1ccccc1O2 ZINC000023151876 818904420 /nfs/dbraw/zinc/90/44/20/818904420.db2.gz KXLNBHKGZQGIBV-GOSISDBHSA-N 1 0 385.895 4.450 20 0 GIADRO O=C(NC1CC([NH+]2CCCCC2)C1)C(Cc1ccccc1)Cc1ccccc1 ZINC000410016175 823371875 /nfs/dbraw/zinc/37/18/75/823371875.db2.gz RBUNQJALWDBCOG-UHFFFAOYSA-N 1 0 376.544 4.221 20 0 GIADRO OCCC[N@H+](CCCO[C@@H]1CCCCO1)Cc1ccc(Cl)c(Cl)c1 ZINC000460386577 823371907 /nfs/dbraw/zinc/37/19/07/823371907.db2.gz KYDROOXFSGWGEQ-GOSISDBHSA-N 1 0 376.324 4.111 20 0 GIADRO COc1ccccc1C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000023188126 818906388 /nfs/dbraw/zinc/90/63/88/818906388.db2.gz UDWRAQKCYCLJAL-UHFFFAOYSA-N 1 0 392.421 4.062 20 0 GIADRO COc1cc(Br)ccc1C[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000189184911 823372092 /nfs/dbraw/zinc/37/20/92/823372092.db2.gz DMUKTKBWPAZARH-CYBMUJFWSA-N 1 0 375.266 4.038 20 0 GIADRO C[C@@H]1CN(C(C)(C)C[NH2+]Cc2c(-c3ccccc3)nc3sccn23)C[C@@H](C)O1 ZINC000023268931 818918716 /nfs/dbraw/zinc/91/87/16/818918716.db2.gz YVZAQZKNMXEAFU-IAGOWNOFSA-N 1 0 398.576 4.040 20 0 GIADRO CC(C)(C)c1nn(-c2ccccc2)cc1C[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000177112972 823374383 /nfs/dbraw/zinc/37/43/83/823374383.db2.gz GHQSUEFYPSMELO-UHFFFAOYSA-N 1 0 386.503 4.040 20 0 GIADRO C[N@@H+](Cc1ccc(OC(F)F)cc1)C[C@@H](O)COc1cccc2ccccc21 ZINC000023390127 818932234 /nfs/dbraw/zinc/93/22/34/818932234.db2.gz FVULLGHWSQSJDU-GOSISDBHSA-N 1 0 387.426 4.313 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cnc2c(F)ccc(F)c2c1 ZINC000572651950 823375602 /nfs/dbraw/zinc/37/56/02/823375602.db2.gz AEVGTJMGVDZQMD-UHFFFAOYSA-N 1 0 383.442 4.237 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccccc1C(=O)c1ccc(F)cc1 ZINC000058296147 823375666 /nfs/dbraw/zinc/37/56/66/823375666.db2.gz BJISETYZFNXPFQ-SFHVURJKSA-N 1 0 396.506 4.441 20 0 GIADRO CSC1(CNC(=O)Nc2cccc(C(F)F)c2Cl)CC[NH+](C)CC1 ZINC000572652365 823375862 /nfs/dbraw/zinc/37/58/62/823375862.db2.gz BLRSMVRNGODHBH-UHFFFAOYSA-N 1 0 377.888 4.227 20 0 GIADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)CCC(=O)c2ccc3ccccc3c2)C1 ZINC000058297243 823375934 /nfs/dbraw/zinc/37/59/34/823375934.db2.gz RFVKIHJMUJLJFG-LJQANCHMSA-N 1 0 380.532 4.431 20 0 GIADRO COc1ccc([C@H](C)[NH2+]Cc2ccc(OCCOc3ccccc3)nc2)cc1O ZINC000572652623 823375985 /nfs/dbraw/zinc/37/59/85/823375985.db2.gz HSQVVUQLDGANEY-KRWDZBQOSA-N 1 0 394.471 4.104 20 0 GIADRO C[C@H]1C[C@H](NC(=O)Nc2c(F)cc(F)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000177121750 823376479 /nfs/dbraw/zinc/37/64/79/823376479.db2.gz JVHFDCHKQPGRJQ-XJKSGUPXSA-N 1 0 377.410 4.279 20 0 GIADRO COc1ccc(F)cc1C[NH2+]Cc1ccc(OCc2ccncc2)c(OC)c1 ZINC000189211255 823376670 /nfs/dbraw/zinc/37/66/70/823376670.db2.gz NDIDFONEBKJGQM-UHFFFAOYSA-N 1 0 382.435 4.107 20 0 GIADRO COc1ccc(Cc2nc(C)c([C@H](C)[NH2+]C[C@H](O)CC(C)C)s2)cc1OC ZINC000122584130 823376797 /nfs/dbraw/zinc/37/67/97/823376797.db2.gz FWVYTHOWVQAVDH-WMLDXEAASA-N 1 0 392.565 4.117 20 0 GIADRO CCc1nnc(-c2ccc(NC(=O)NCC3CC[NH+](CCC(C)C)CC3)cc2)o1 ZINC000177123840 823377093 /nfs/dbraw/zinc/37/70/93/823377093.db2.gz ZSKLMKHWDFIUJA-UHFFFAOYSA-N 1 0 399.539 4.179 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)c2cc3c(s2)-c2ccccc2OC3)cc1 ZINC000023961945 818998591 /nfs/dbraw/zinc/99/85/91/818998591.db2.gz MKGGHNDEABSBLT-UHFFFAOYSA-N 1 0 378.497 4.299 20 0 GIADRO COCCCOc1cccc(NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000177132867 823379039 /nfs/dbraw/zinc/37/90/39/823379039.db2.gz YZVLZAYLUYNVBL-UHFFFAOYSA-N 1 0 397.519 4.019 20 0 GIADRO O=C(CSCc1cccc(Cl)c1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000023979632 819001727 /nfs/dbraw/zinc/00/17/27/819001727.db2.gz MYPRBUNSFFXJPZ-UHFFFAOYSA-N 1 0 388.964 4.354 20 0 GIADRO O[C@@H](C[NH2+]Cc1cc2ccccc2s1)COc1ccc(Br)cc1 ZINC000572673307 823379858 /nfs/dbraw/zinc/37/98/58/823379858.db2.gz UXJFGNQYGJATAM-HNNXBMFYSA-N 1 0 392.318 4.193 20 0 GIADRO O=C(Nc1cccc(COC2CCCCC2)c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000177150525 823383892 /nfs/dbraw/zinc/38/38/92/823383892.db2.gz VPVPLYGCVYSHRQ-FQEVSTJZSA-N 1 0 385.552 4.486 20 0 GIADRO COCc1c2ccccc2oc1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000024114712 819026236 /nfs/dbraw/zinc/02/62/36/819026236.db2.gz MHYWAERIBUKVGU-UHFFFAOYSA-N 1 0 378.472 4.105 20 0 GIADRO COc1ccc2c(c1F)CC[C@@H]2[NH2+]Cc1ccc(NC(=O)c2ccncc2)cc1 ZINC000572678453 823380893 /nfs/dbraw/zinc/38/08/93/823380893.db2.gz SEUVOOBNTGUHRD-FQEVSTJZSA-N 1 0 391.446 4.259 20 0 GIADRO CC[C@H]([NH2+]CC(=O)NCc1ccc(OC(F)F)cc1)c1ccc(Cl)cc1 ZINC000024255567 819039433 /nfs/dbraw/zinc/03/94/33/819039433.db2.gz AUWNMZFKFRVMRE-KRWDZBQOSA-N 1 0 382.838 4.299 20 0 GIADRO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H](C)CCc1cccn1C ZINC000122612720 823381459 /nfs/dbraw/zinc/38/14/59/823381459.db2.gz YOKCMJRTBKOGRS-LSDHHAIUSA-N 1 0 381.442 4.372 20 0 GIADRO O=C(CC(F)(F)F)NC[C@@H]1CCC[N@H+](Cc2ccccc2OC2CCCC2)C1 ZINC000572683289 823382446 /nfs/dbraw/zinc/38/24/46/823382446.db2.gz ORSPUPHTEAWTQU-INIZCTEOSA-N 1 0 398.469 4.289 20 0 GIADRO C[NH+](C)Cc1ccc(-c2ccccc2CNS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000024445233 819057649 /nfs/dbraw/zinc/05/76/49/819057649.db2.gz WGQLQPCTAQHJAI-UHFFFAOYSA-N 1 0 398.503 4.033 20 0 GIADRO Cc1nc2cc(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)ccc2n1Cc1ccsc1 ZINC000410069370 823383352 /nfs/dbraw/zinc/38/33/52/823383352.db2.gz QHOLNFJMRNBDKC-HNNXBMFYSA-N 1 0 398.576 4.161 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cc3ccccc3c(=O)[nH]2)cc1 ZINC000058366501 823383430 /nfs/dbraw/zinc/38/34/30/823383430.db2.gz GXXKJTUCCXKWAW-MRXNPFEDSA-N 1 0 375.472 4.155 20 0 GIADRO CN(C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1)C1CCC(C(C)(C)C)CC1 ZINC000410067253 823383428 /nfs/dbraw/zinc/38/34/28/823383428.db2.gz TXZCQHUZZWFOHR-UHFFFAOYSA-N 1 0 385.596 4.111 20 0 GIADRO CCCOc1ccc(C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)c(C)c1 ZINC000189268170 823383649 /nfs/dbraw/zinc/38/36/49/823383649.db2.gz YXYDRBKPAARNPO-INIZCTEOSA-N 1 0 391.533 4.047 20 0 GIADRO CCCN(CCC[NH+](C)C)C(=O)c1ccc(NC(=O)Nc2ccccc2)s1 ZINC000189274096 823384877 /nfs/dbraw/zinc/38/48/77/823384877.db2.gz BOUVTVORHULKRT-UHFFFAOYSA-N 1 0 388.537 4.196 20 0 GIADRO CCCn1ncc(NC(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)c1C1CC1 ZINC000572696699 823385013 /nfs/dbraw/zinc/38/50/13/823385013.db2.gz AVRLJIUPMIRMSK-MSOLQXFVSA-N 1 0 395.551 4.297 20 0 GIADRO C[C@H](Oc1cnc2ccccc2c1)C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000572702273 823385657 /nfs/dbraw/zinc/38/56/57/823385657.db2.gz ABLFAPYCXICTQT-YCRPNKLZSA-N 1 0 397.906 4.075 20 0 GIADRO CC[C@H](C)c1nnc(N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)n1CCc1ccccc1 ZINC000460427575 823385827 /nfs/dbraw/zinc/38/58/27/823385827.db2.gz CJEXOVFWLLABKK-IRFCIJBXSA-N 1 0 381.568 4.097 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2cc(-c3ccccc3)on2)CC1 ZINC000058399912 823386223 /nfs/dbraw/zinc/38/62/23/823386223.db2.gz CDDMMOVONWVJMQ-UHFFFAOYSA-N 1 0 375.472 4.044 20 0 GIADRO C[C@@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)Oc1cccc(Cl)c1 ZINC000460429651 823386337 /nfs/dbraw/zinc/38/63/37/823386337.db2.gz NEXQWERVPLTZOT-KRWDZBQOSA-N 1 0 386.923 4.136 20 0 GIADRO O[C@H](C[N@H+](Cc1ccccc1)Cc1ccc(Br)cn1)c1ccco1 ZINC000177158714 823386767 /nfs/dbraw/zinc/38/67/67/823386767.db2.gz SRLFUSNMEZVSQN-GOSISDBHSA-N 1 0 387.277 4.173 20 0 GIADRO CCc1noc(-c2ccc(C)c(NC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)c2)n1 ZINC000177162320 823387514 /nfs/dbraw/zinc/38/75/14/823387514.db2.gz GSSYMKKXWAYTGQ-UHFFFAOYSA-N 1 0 385.512 4.038 20 0 GIADRO Cc1ccccc1[C@H](OC[C@H](O)C[NH2+]CC[C@H]1CCO[C@@H](C)C1)c1ccccc1 ZINC000572715195 823387707 /nfs/dbraw/zinc/38/77/07/823387707.db2.gz UUNUVTPXUCVLQH-JKBGKOONSA-N 1 0 397.559 4.257 20 0 GIADRO CCOc1ccc(-n2c(Cc3ccccc3)nnc2SC[C@H](C)[NH+](C)C)cc1 ZINC000460433643 823387849 /nfs/dbraw/zinc/38/78/49/823387849.db2.gz DUMBXOWZRDLTDN-KRWDZBQOSA-N 1 0 396.560 4.299 20 0 GIADRO C[C@H]([NH2+][C@@H](c1ccc(Cl)cc1)C1CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177185096 823393944 /nfs/dbraw/zinc/39/39/44/823393944.db2.gz UJUHSVNXAKPMCJ-VBKZILBWSA-N 1 0 392.952 4.392 20 0 GIADRO CCc1ccc(OCc2nnc(SC[C@@H](C)[NH+](C)C)n2CC(C)C)cc1 ZINC000460452396 823393984 /nfs/dbraw/zinc/39/39/84/823393984.db2.gz DGMFMLMYJLHHDJ-MRXNPFEDSA-N 1 0 376.570 4.118 20 0 GIADRO O=C(NCC1CCC(F)(F)CC1)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000410106090 823393255 /nfs/dbraw/zinc/39/32/55/823393255.db2.gz FVLXNTUHWUQHCY-MRXNPFEDSA-N 1 0 385.524 4.085 20 0 GIADRO Fc1cc([C@@H]2OCC[C@H]2[NH2+]CCc2nc(-c3ccccc3)no2)ccc1Cl ZINC000572727395 823389625 /nfs/dbraw/zinc/38/96/25/823389625.db2.gz XMUHLHZSDHZPNR-MJGOQNOKSA-N 1 0 387.842 4.191 20 0 GIADRO CCOCc1ccccc1C[NH2+]C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000122662212 823389886 /nfs/dbraw/zinc/38/98/86/823389886.db2.gz YENCRSJSARCLOB-UHFFFAOYSA-N 1 0 386.923 4.271 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1cccc2ncccc21 ZINC000122664024 823390110 /nfs/dbraw/zinc/39/01/10/823390110.db2.gz UHPACGKOMAMCKS-UHFFFAOYSA-N 1 0 379.891 4.283 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NCC1CCC(F)(F)CC1 ZINC000410097116 823390310 /nfs/dbraw/zinc/39/03/10/823390310.db2.gz CJZWYVBLBCIFCD-UHFFFAOYSA-N 1 0 394.510 4.155 20 0 GIADRO O=C([C@@H]1CC[N@H+](Cc2ccccc2)C1)N(CCc1ccccc1)Cc1cccnc1 ZINC000572732558 823390363 /nfs/dbraw/zinc/39/03/63/823390363.db2.gz IBEOUFJSUIVITH-RUZDIDTESA-N 1 0 399.538 4.175 20 0 GIADRO c1cn(-c2ccc(C[N@@H+]3CCC[C@@H](c4nc(-c5ccccc5)c[nH]4)C3)cn2)cn1 ZINC000177171820 823390425 /nfs/dbraw/zinc/39/04/25/823390425.db2.gz KKSPWHIQQCOABK-HXUWFJFHSA-N 1 0 384.487 4.037 20 0 GIADRO C[C@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)Oc1ccccc1Cl ZINC000460442211 823390535 /nfs/dbraw/zinc/39/05/35/823390535.db2.gz DASJNQYYHAEKHS-QGZVFWFLSA-N 1 0 386.923 4.136 20 0 GIADRO COc1ccc(Cn2cc(NC3CC[NH+]([C@H]4CCC[C@@H](C)C4)CC3)cn2)cc1 ZINC000572786890 823398455 /nfs/dbraw/zinc/39/84/55/823398455.db2.gz VKSRHDNQFWOBJK-GCJKJVERSA-N 1 0 382.552 4.395 20 0 GIADRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)c2cccc(OC)c2)cc1 ZINC000177186844 823394743 /nfs/dbraw/zinc/39/47/43/823394743.db2.gz VEZJFLMYRLRGDX-IAGOWNOFSA-N 1 0 390.549 4.138 20 0 GIADRO Cc1nn(C)c(=O)c(-c2nc(C[N@@H+]3CCC[C@@H](C(C)(C)C)CC3)cs2)c1C ZINC000177189175 823395089 /nfs/dbraw/zinc/39/50/89/823395089.db2.gz GWCIGGLFWOGHJH-MRXNPFEDSA-N 1 0 388.581 4.169 20 0 GIADRO O=C(c1cc(Cl)c[nH]1)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000122698149 823396630 /nfs/dbraw/zinc/39/66/30/823396630.db2.gz DINNSNNYQPBHHX-UHFFFAOYSA-N 1 0 385.817 4.035 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1ccc(COc2ccc(F)cc2)o1)C1CCCCC1 ZINC000058476006 823397294 /nfs/dbraw/zinc/39/72/94/823397294.db2.gz DWFQGPHYKFTPEC-HXUWFJFHSA-N 1 0 388.483 4.238 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)CC[N@@H+]1C ZINC000122701859 823397474 /nfs/dbraw/zinc/39/74/74/823397474.db2.gz IRVINXUKAAZZKQ-SWLSCSKDSA-N 1 0 397.466 4.384 20 0 GIADRO CSc1ccc(C[N@H+](C)[C@H](C)c2cccc(N3CCCS3(=O)=O)c2)cc1 ZINC000189348157 823398913 /nfs/dbraw/zinc/39/89/13/823398913.db2.gz ZFJQOXMICNIJAN-MRXNPFEDSA-N 1 0 390.574 4.141 20 0 GIADRO C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000410130994 823398111 /nfs/dbraw/zinc/39/81/11/823398111.db2.gz AXSYHMVAADUZCB-HOCLYGCPSA-N 1 0 393.314 4.151 20 0 GIADRO COc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1OC1CCCC1 ZINC000410137133 823399502 /nfs/dbraw/zinc/39/95/02/823399502.db2.gz YIEYYRUTCJRQIB-HXUWFJFHSA-N 1 0 394.515 4.021 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(C(=O)N2CCCCC2)c1)c1ccccc1-n1cccn1 ZINC000177213363 823400903 /nfs/dbraw/zinc/40/09/03/823400903.db2.gz GHJQHTSPDSEIDV-LJQANCHMSA-N 1 0 388.515 4.349 20 0 GIADRO CCOC(=O)N1CCC([C@@H](C)[NH2+]Cc2ccc(OCc3ccncc3)cc2)CC1 ZINC000189366457 823401768 /nfs/dbraw/zinc/40/17/68/823401768.db2.gz JTYQJNJQIHJBTG-GOSISDBHSA-N 1 0 397.519 4.007 20 0 GIADRO c1c(C[NH2+][C@@H]2[C@H]3Cc4ccccc4[C@@H]23)c(-c2cccnc2)nn1-c1ccccc1 ZINC000572802453 823401954 /nfs/dbraw/zinc/40/19/54/823401954.db2.gz BMMRUNUTBVCRKF-JBRSBNLGSA-N 1 0 378.479 4.362 20 0 GIADRO CC[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@H](O)COc1cccc(C(C)=O)c1 ZINC000058523943 823403897 /nfs/dbraw/zinc/40/38/97/823403897.db2.gz KYJJXAHECKJYNL-QTJGBDASSA-N 1 0 381.516 4.287 20 0 GIADRO C[C@@H]1CN(c2ccc(C[NH2+][C@@H](c3ccccc3)c3ccc(F)cc3)cn2)CCO1 ZINC000177220158 823402372 /nfs/dbraw/zinc/40/23/72/823402372.db2.gz AOVNHJKDHANUEZ-KOSHJBKYSA-N 1 0 391.490 4.325 20 0 GIADRO CC[C@H](CC1CCCCC1)C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000460479068 823403096 /nfs/dbraw/zinc/40/30/96/823403096.db2.gz GTFPYRRVFDGZAC-OAQYLSRUSA-N 1 0 377.617 4.050 20 0 GIADRO COCCOc1ccc([C@H](C)[NH2+][C@@H](C)c2ccccc2-n2cccn2)cc1OC ZINC000177225269 823404252 /nfs/dbraw/zinc/40/42/52/823404252.db2.gz KZOZWUMLGQQEBD-ROUUACIJSA-N 1 0 395.503 4.318 20 0 GIADRO COc1cc(OC)cc(N2CC[C@H](C[NH2+]Cc3ccc4nc(C)ccc4c3)C2)c1 ZINC000189380376 823404641 /nfs/dbraw/zinc/40/46/41/823404641.db2.gz HTSFDKCOOMEOKX-LJQANCHMSA-N 1 0 391.515 4.177 20 0 GIADRO Cc1c2ccccc2oc1[C@H](C)[NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177229425 823405198 /nfs/dbraw/zinc/40/51/98/823405198.db2.gz MWMOLBKTOZJUMU-CVEARBPZSA-N 1 0 386.517 4.403 20 0 GIADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)C1 ZINC000058533837 823405199 /nfs/dbraw/zinc/40/51/99/823405199.db2.gz JBIFDKALHJBOGA-QGZVFWFLSA-N 1 0 387.524 4.362 20 0 GIADRO COc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccsc3Cl)CC2)cc1 ZINC000189387668 823406275 /nfs/dbraw/zinc/40/62/75/823406275.db2.gz BWTQLVSNRMRJLR-UHFFFAOYSA-N 1 0 379.913 4.150 20 0 GIADRO Fc1ccc(Cn2cc(C[NH2+][C@H]3CCO[C@H]3c3ccc(Cl)cc3)cn2)cc1 ZINC000189387852 823406303 /nfs/dbraw/zinc/40/63/03/823406303.db2.gz AWTBNCMLQXCNED-SFTDATJTSA-N 1 0 385.870 4.344 20 0 GIADRO CCN(Cc1ccccn1)C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000177255374 823410870 /nfs/dbraw/zinc/41/08/70/823410870.db2.gz XSFVNJZUQBPIOC-LJQANCHMSA-N 1 0 386.565 4.148 20 0 GIADRO CCCCC1CCC(C(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)CC1 ZINC000460507443 823411679 /nfs/dbraw/zinc/41/16/79/823411679.db2.gz LEWXTDWVPHVHTM-UHFFFAOYSA-N 1 0 377.617 4.050 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@H](C)c2cccc(-n3ccnn3)c2)ccc1OC(C)C ZINC000572868176 823411950 /nfs/dbraw/zinc/41/19/50/823411950.db2.gz UYJPJGQDJKMGEX-IAGOWNOFSA-N 1 0 380.492 4.475 20 0 GIADRO CC(=O)Oc1ccc(C[N@@H+](C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)cc1 ZINC000122786434 823412040 /nfs/dbraw/zinc/41/20/40/823412040.db2.gz FROHABJFISCCLK-RBUKOAKNSA-N 1 0 380.271 4.009 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)c1ccccc1C(F)(F)F)c1ccccc1-n1cccn1 ZINC000177259051 823412309 /nfs/dbraw/zinc/41/23/09/823412309.db2.gz PZDYYGFMKIFECZ-LIRRHRJNSA-N 1 0 375.394 4.275 20 0 GIADRO Cc1nc2ccc(C[NH2+][C@@H]3CCCN(C(=O)CCC(F)(F)F)C3)cc2s1 ZINC000572877904 823412885 /nfs/dbraw/zinc/41/28/85/823412885.db2.gz HYRPKIUZYTYZMF-CQSZACIVSA-N 1 0 385.455 4.028 20 0 GIADRO CC1CC[NH+](Cc2ccc(-c3noc(-c4cnn(C)c4C4CC4)n3)cc2)CC1 ZINC000572881973 823413311 /nfs/dbraw/zinc/41/33/11/823413311.db2.gz GASYSTLAHAXZAS-UHFFFAOYSA-N 1 0 377.492 4.246 20 0 GIADRO COc1cc2c(cc1CN(Cc1ccccc1)C1CC[NH+](C)CC1)O[C@H](C)C2 ZINC000572887723 823414415 /nfs/dbraw/zinc/41/44/15/823414415.db2.gz YYILVSKLNKFKRJ-GOSISDBHSA-N 1 0 380.532 4.115 20 0 GIADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000177266980 823414762 /nfs/dbraw/zinc/41/47/62/823414762.db2.gz KJVBVPONBLFSAB-IAGOWNOFSA-N 1 0 378.919 4.496 20 0 GIADRO COc1cccc([C@@H](C)[NH2+][C@@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)c1 ZINC000177278996 823419461 /nfs/dbraw/zinc/41/94/61/823419461.db2.gz HDFNWYXMVJFPHB-ZWKOTPCHSA-N 1 0 381.520 4.363 20 0 GIADRO CCN(Cc1ccccn1)C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000177267060 823415108 /nfs/dbraw/zinc/41/51/08/823415108.db2.gz ARJKPOXMAYSVTK-PMACEKPBSA-N 1 0 394.563 4.291 20 0 GIADRO COc1ccc(C[NH2+][C@H](C)[C@@H](OC2CCOCC2)c2ccccc2)cc1OC ZINC000122802635 823415190 /nfs/dbraw/zinc/41/51/90/823415190.db2.gz WKRKDAZAUNPNFJ-UZUQRXQVSA-N 1 0 385.504 4.119 20 0 GIADRO CCC[NH+]1CCC(NC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)CC1 ZINC000058603101 823415386 /nfs/dbraw/zinc/41/53/86/823415386.db2.gz FMUFYZQDIBIGRH-UHFFFAOYSA-N 1 0 384.907 4.175 20 0 GIADRO O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)C1(Cc2ccccc2)CC1 ZINC000572897921 823416398 /nfs/dbraw/zinc/41/63/98/823416398.db2.gz BZEZFNGSONPSFH-HSZRJFAPSA-N 1 0 376.544 4.428 20 0 GIADRO C[C@@H]([NH2+]C1(c2ccc(Cl)cc2)CCC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177271485 823416664 /nfs/dbraw/zinc/41/66/64/823416664.db2.gz LUGDFRGLJZZCEY-OAHLLOKOSA-N 1 0 392.952 4.320 20 0 GIADRO FC(F)(F)C1CCC([NH2+]C[C@@H](c2ccccc2Cl)N2CCOCC2)CC1 ZINC000122827395 823419291 /nfs/dbraw/zinc/41/92/91/823419291.db2.gz HMZWMBXGWTXQPU-JMLCCBQJSA-N 1 0 390.877 4.424 20 0 GIADRO CC[NH+](CC)CCOc1ccc(NC(=O)c2cccc(Br)c2)cc1 ZINC000058626541 823419328 /nfs/dbraw/zinc/41/93/28/823419328.db2.gz LMDHUNPPCFQRKJ-UHFFFAOYSA-N 1 0 391.309 4.422 20 0 GIADRO Clc1ccc(N2CC[C@@H]([NH2+]C3CCN(c4nccs4)CC3)C2)c(Cl)c1 ZINC000189444768 823418196 /nfs/dbraw/zinc/41/81/96/823418196.db2.gz QXLQSPLWEPYIGG-OAHLLOKOSA-N 1 0 397.375 4.287 20 0 GIADRO CCOc1cccc(C[NH2+]CC2CCN(CC(F)(F)F)CC2)c1OC(F)F ZINC000189458205 823421450 /nfs/dbraw/zinc/42/14/50/823421450.db2.gz VMZDCFMNFRNTNQ-UHFFFAOYSA-N 1 0 396.400 4.051 20 0 GIADRO CCc1cc(N2CCC[C@H]([NH2+][C@H](C)c3cccc(Br)c3)C2)ncn1 ZINC000410212319 823421452 /nfs/dbraw/zinc/42/14/52/823421452.db2.gz BYYSEIZDNJPIAM-KDOFPFPSSA-N 1 0 389.341 4.121 20 0 GIADRO CO[C@@](C)(C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccccc1F ZINC000572928895 823421878 /nfs/dbraw/zinc/42/18/78/823421878.db2.gz RGPVMAPNKWTBLP-HYBUGGRVSA-N 1 0 398.522 4.106 20 0 GIADRO CCOc1ccc(NC(=O)C[NH2+][C@H](C)c2cccc(Br)c2)cc1 ZINC000410221039 823423720 /nfs/dbraw/zinc/42/37/20/823423720.db2.gz SLXIOYOWXGYGLQ-CYBMUJFWSA-N 1 0 377.282 4.137 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCCc2ccccc21)c1cccc(OC)c1 ZINC000058648092 823424245 /nfs/dbraw/zinc/42/42/45/823424245.db2.gz DTRUAYIBWWCTOL-PKTZIBPZSA-N 1 0 380.532 4.314 20 0 GIADRO COc1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000572941248 823424295 /nfs/dbraw/zinc/42/42/95/823424295.db2.gz ZFENGYGGDZTCGW-MRXNPFEDSA-N 1 0 394.302 4.398 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)C(C)(C)c3ccccc3C)c(C)c2)CC1 ZINC000058629704 823419920 /nfs/dbraw/zinc/41/99/20/823419920.db2.gz GYIUUXGDVCXDOJ-UHFFFAOYSA-N 1 0 379.548 4.362 20 0 GIADRO CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@H](c1ncc(C)s1)C1CC1 ZINC000460527727 823420265 /nfs/dbraw/zinc/42/02/65/823420265.db2.gz ANLJNYMCSDMDFY-SFHVURJKSA-N 1 0 378.586 4.200 20 0 GIADRO CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H](c1ncc(C)s1)C1CC1 ZINC000460527726 823420270 /nfs/dbraw/zinc/42/02/70/823420270.db2.gz ANLJNYMCSDMDFY-GOSISDBHSA-N 1 0 378.586 4.200 20 0 GIADRO Cc1cccc(Oc2ccccc2C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000572924095 823420406 /nfs/dbraw/zinc/42/04/06/823420406.db2.gz CIOLDMFNSIKZFJ-LJQANCHMSA-N 1 0 394.515 4.018 20 0 GIADRO C[C@H]([NH2+][C@H](CCO)C1CCOCC1)c1ccc(-c2c(F)cccc2F)cc1 ZINC000572924882 823420790 /nfs/dbraw/zinc/42/07/90/823420790.db2.gz KKGBXCFRUNSQCY-YCRPNKLZSA-N 1 0 375.459 4.460 20 0 GIADRO CN(C)c1ccc(CNC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)cc1F ZINC000058635174 823420914 /nfs/dbraw/zinc/42/09/14/823420914.db2.gz FEYHEEKTGKYVRK-UHFFFAOYSA-N 1 0 398.526 4.242 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)NCc1ccc(OC(C)C)cc1)c1ccsc1 ZINC000410223456 823424563 /nfs/dbraw/zinc/42/45/63/823424563.db2.gz DMMYZAJSJQYIPT-HXUWFJFHSA-N 1 0 389.565 4.418 20 0 GIADRO O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CC[C@H](COCc2ccccc2)C1 ZINC000460541211 823425158 /nfs/dbraw/zinc/42/51/58/823425158.db2.gz BXWOCTRKIQZLHF-QHCPKHFHSA-N 1 0 392.543 4.351 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)CC(Cc2ccccc2)Cc2ccccc2)CC[N@@H+]1C ZINC000177298669 823425499 /nfs/dbraw/zinc/42/54/99/823425499.db2.gz LMBZKQJNZMHASJ-GBXCKJPGSA-N 1 0 378.560 4.419 20 0 GIADRO CC(C)(C)OC(=O)N1CC=C(C[NH2+]Cc2ncc(-c3ccccc3)s2)CC1 ZINC000189477676 823426080 /nfs/dbraw/zinc/42/60/80/823426080.db2.gz YPYLNGJEUJZIKE-UHFFFAOYSA-N 1 0 385.533 4.467 20 0 GIADRO Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+][C@H]1CCN(C(C)(C)C)C1=O ZINC000572959962 823426863 /nfs/dbraw/zinc/42/68/63/823426863.db2.gz LCLRZXNHYMVYDB-LRDDRELGSA-N 1 0 375.513 4.308 20 0 GIADRO COCCc1ccccc1NC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000189481857 823427114 /nfs/dbraw/zinc/42/71/14/823427114.db2.gz RTTZBICHXOPVFR-IBGZPJMESA-N 1 0 395.547 4.429 20 0 GIADRO COCCc1ccccc1NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000189486911 823428157 /nfs/dbraw/zinc/42/81/57/823428157.db2.gz FVYSXZUEEQSYEH-DENIHFKCSA-N 1 0 395.547 4.392 20 0 GIADRO COc1ccc(CC[NH2+][C@@H](C)c2cc(OC)c(OC)c(OC)c2)c(Cl)c1 ZINC000122884709 823428682 /nfs/dbraw/zinc/42/86/82/823428682.db2.gz NYCNJQBAEMENIB-ZDUSSCGKSA-N 1 0 379.884 4.268 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)Nc2ccc(COC(C)C)cc2)cc1 ZINC000189489531 823428810 /nfs/dbraw/zinc/42/88/10/823428810.db2.gz CSSJUKGWULKLLJ-UHFFFAOYSA-N 1 0 397.519 4.031 20 0 GIADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2csc(-c3ccsc3)n2)CC1 ZINC000122886487 823429013 /nfs/dbraw/zinc/42/90/13/823429013.db2.gz AVCKHAKRNJOLSP-UHFFFAOYSA-N 1 0 387.530 4.201 20 0 GIADRO CC(C)CC[NH+]1CCC(CNC(=O)N2CC3(CCOCC3)c3ccccc32)CC1 ZINC000189493692 823430017 /nfs/dbraw/zinc/43/00/17/823430017.db2.gz BKAISYNAVDTXIY-UHFFFAOYSA-N 1 0 399.579 4.023 20 0 GIADRO COc1ccc(-c2ccc(CNC(=O)[C@H](Cc3ccccc3)[NH+](C)C)cc2)cc1 ZINC000460563781 823434387 /nfs/dbraw/zinc/43/43/87/823434387.db2.gz VLGKKMWEHNITNP-DEOSSOPVSA-N 1 0 388.511 4.151 20 0 GIADRO COc1ccc(C[NH+](C)C)cc1NC(=O)N[C@@]1(c2ccc(Cl)cc2)C[C@H]1C ZINC000572987250 823430376 /nfs/dbraw/zinc/43/03/76/823430376.db2.gz VVTLTKSPCCNFQT-SZNDQCEHSA-N 1 0 387.911 4.467 20 0 GIADRO CC[NH+](CC)CCOc1ccc(NC(=O)c2cncnc2-c2ccccc2)cc1 ZINC000573009596 823433062 /nfs/dbraw/zinc/43/30/62/823433062.db2.gz LTELWJAUARKTMR-UHFFFAOYSA-N 1 0 390.487 4.117 20 0 GIADRO Cc1nc(C)c(CN(CC[NH+](C)C)Cc2ccc(Br)cc2)s1 ZINC000573019864 823434715 /nfs/dbraw/zinc/43/47/15/823434715.db2.gz OIYBCLRBJUOJBD-UHFFFAOYSA-N 1 0 382.371 4.086 20 0 GIADRO CCc1ccc([C@@H](C)NC(=O)C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 ZINC000024665495 819861907 /nfs/dbraw/zinc/86/19/07/819861907.db2.gz FIGWVVMBTLPPQB-YLJYHZDGSA-N 1 0 391.515 4.447 20 0 GIADRO CC1CC[NH+]([C@H](CNC(=O)N[C@@H]2CCc3cc(N)ccc32)c2cccs2)CC1 ZINC000573022268 823435199 /nfs/dbraw/zinc/43/51/99/823435199.db2.gz YGBZKMRGJBDIKT-WOJBJXKFSA-N 1 0 398.576 4.090 20 0 GIADRO O=C(Nc1ccccc1)[C@H]1CCC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000024804473 819879048 /nfs/dbraw/zinc/87/90/48/819879048.db2.gz AOFOFGLWTGKYKS-INIZCTEOSA-N 1 0 378.394 4.436 20 0 GIADRO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)C1 ZINC000177330576 823435655 /nfs/dbraw/zinc/43/56/55/823435655.db2.gz HMYDPWFWARYNHQ-HXUWFJFHSA-N 1 0 386.540 4.153 20 0 GIADRO C[N@H+](CCOc1ccc(F)cc1)CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000024898511 819891270 /nfs/dbraw/zinc/89/12/70/819891270.db2.gz WCCJPSMEBNXXPN-UHFFFAOYSA-N 1 0 385.266 4.472 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)[C@H](NC(=O)c2ccccc2F)C(C)C)c1 ZINC000024925421 819896061 /nfs/dbraw/zinc/89/60/61/819896061.db2.gz IZNYSLAYKUUQDO-OAQYLSRUSA-N 1 0 399.510 4.061 20 0 GIADRO Cc1cc(C)cc(OC[C@H](O)C[NH2+]Cc2ccc(Oc3cccnc3)c(F)c2)c1 ZINC000573032453 823437087 /nfs/dbraw/zinc/43/70/87/823437087.db2.gz QMADRZVQGUFQNS-LJQANCHMSA-N 1 0 396.462 4.159 20 0 GIADRO CCCn1nccc1C1CCN(C(=O)c2ccc(C[NH+](CC)CC)cc2)CC1 ZINC000410258818 823437439 /nfs/dbraw/zinc/43/74/39/823437439.db2.gz QTIOPLAHHUTPKN-UHFFFAOYSA-N 1 0 382.552 4.155 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)CSc1nccn1-c1ccccc1C ZINC000177339896 823439763 /nfs/dbraw/zinc/43/97/63/823439763.db2.gz QLVZSBPDXHFFCF-UHFFFAOYSA-N 1 0 394.544 4.282 20 0 GIADRO O[C@@H](CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1ccc(F)cc1 ZINC000025217276 819944795 /nfs/dbraw/zinc/94/47/95/819944795.db2.gz WJMXQSJOOHRXKD-DEOSSOPVSA-N 1 0 390.502 4.266 20 0 GIADRO CCN(C(=O)[C@@H](C)[NH2+][C@@H]1c2ccccc2CC12CCOCC2)C1CCCCC1 ZINC000573048052 823439876 /nfs/dbraw/zinc/43/98/76/823439876.db2.gz MIZDLMPIYYKNTL-XMSQKQJNSA-N 1 0 384.564 4.240 20 0 GIADRO C/C=C/c1ccc(OC[C@H](O)C[N@H+]2CCC[C@H]2c2ccc(OC)cc2)c(OC)c1 ZINC000025227477 819946992 /nfs/dbraw/zinc/94/69/92/819946992.db2.gz NYBWAQBSBTZVHT-JJLHHEJBSA-N 1 0 397.515 4.314 20 0 GIADRO COc1cc(C[NH2+]C(C)C)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC000025258960 819952032 /nfs/dbraw/zinc/95/20/32/819952032.db2.gz ZNPJIGOMUDZDFT-UHFFFAOYSA-N 1 0 396.409 4.230 20 0 GIADRO CC(=O)Nc1ccc(C[NH2+]Cc2ccc(OC(F)F)cc2OC(F)F)cc1 ZINC000025312716 819961244 /nfs/dbraw/zinc/96/12/44/819961244.db2.gz JWKQGVNKSZIVAF-UHFFFAOYSA-N 1 0 386.345 4.138 20 0 GIADRO O=C1CCCN1Cc1ccc(N[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000573091077 823446269 /nfs/dbraw/zinc/44/62/69/823446269.db2.gz VAXSIPWCSWNGSM-QHCPKHFHSA-N 1 0 389.543 4.418 20 0 GIADRO COc1ccc2cc([C@H](C)C(=O)NC[C@H](c3ccsc3)[NH+](C)C)ccc2c1 ZINC000025330545 819963670 /nfs/dbraw/zinc/96/36/70/819963670.db2.gz HOEOWDUDOJSDMK-YCRPNKLZSA-N 1 0 382.529 4.433 20 0 GIADRO Cc1cc(OCCCC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)ccc1Cl ZINC000025329959 819964034 /nfs/dbraw/zinc/96/40/34/819964034.db2.gz SEQBNCKIMVVQSY-SFHVURJKSA-N 1 0 380.941 4.288 20 0 GIADRO Cc1cc(OCCCC(=O)NC[C@H](c2ccsc2)[NH+](C)C)ccc1Cl ZINC000025329960 819964063 /nfs/dbraw/zinc/96/40/63/819964063.db2.gz SEQBNCKIMVVQSY-GOSISDBHSA-N 1 0 380.941 4.288 20 0 GIADRO CC(C)c1cc(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)c2cnn(C(C)C)c2n1 ZINC000025330666 819964096 /nfs/dbraw/zinc/96/40/96/819964096.db2.gz NLHCATHJQGDSGC-LJQANCHMSA-N 1 0 399.564 4.230 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)COC(c1ccccc1)c1ccccc1)c1ccsc1 ZINC000025330458 819964120 /nfs/dbraw/zinc/96/41/20/819964120.db2.gz BIFBLVKYVZWHDG-NRFANRHFSA-N 1 0 394.540 4.273 20 0 GIADRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](Cc2nnc(C3CC3)s2)[C@@H]2CCCC[C@H]12 ZINC000573059390 823442189 /nfs/dbraw/zinc/44/21/89/823442189.db2.gz DCVBNRXSIFCXIT-WSWKGWCUSA-N 1 0 390.597 4.099 20 0 GIADRO O[C@H](C[NH2+][C@H](c1ccccc1)c1ccc(OC(F)F)cc1)COc1ccccc1 ZINC000025367233 819971281 /nfs/dbraw/zinc/97/12/81/819971281.db2.gz XPGHOKGDIKIVPQ-DENIHFKCSA-N 1 0 399.437 4.407 20 0 GIADRO O=C(c1ccc(-c2ccccc2OC(F)(F)F)o1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000189554250 823442743 /nfs/dbraw/zinc/44/27/43/823442743.db2.gz VKPOXKAHCPUBHI-AWEZNQCLSA-N 1 0 394.393 4.156 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)COC(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000025420900 819977835 /nfs/dbraw/zinc/97/78/35/819977835.db2.gz ASQLAGQFUKTYSB-QHCPKHFHSA-N 1 0 388.511 4.212 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2ocnc2-c2ccccc2)CC1 ZINC000573070198 823443604 /nfs/dbraw/zinc/44/36/04/823443604.db2.gz CXDVAWRYRUFMJI-KRWDZBQOSA-N 1 0 375.472 4.297 20 0 GIADRO CCOc1ncccc1C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000025521591 819995121 /nfs/dbraw/zinc/99/51/21/819995121.db2.gz RVFBPHAHEXGXPY-UHFFFAOYSA-N 1 0 389.499 4.139 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCCC1)Nc1ccc([C@@H]2CCOC2)cc1 ZINC000573076699 823444623 /nfs/dbraw/zinc/44/46/23/823444623.db2.gz GYMQWSKSUMICRB-JOCHJYFZSA-N 1 0 393.531 4.498 20 0 GIADRO C/C=C/c1ccc(OC[C@H](O)C[NH2+][C@H](C)c2ccc(F)c(F)c2)c(OC)c1 ZINC000025664299 820012155 /nfs/dbraw/zinc/01/21/55/820012155.db2.gz NIZLCXPYFYTHCK-XUOJHOASSA-N 1 0 377.431 4.097 20 0 GIADRO CC[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1cc(F)ccc1F ZINC000177363831 823445538 /nfs/dbraw/zinc/44/55/38/823445538.db2.gz WKEGCTLCGUNTRR-ORAYPTAESA-N 1 0 382.476 4.017 20 0 GIADRO CC(C)(C)c1cnc(CCC(=O)N2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)o1 ZINC000573083508 823445608 /nfs/dbraw/zinc/44/56/08/823445608.db2.gz VSJIFOQBZLZBSC-PMACEKPBSA-N 1 0 397.563 4.103 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)c1 ZINC000025855232 820031668 /nfs/dbraw/zinc/03/16/68/820031668.db2.gz ZJUURHAOQWHCKY-UHFFFAOYSA-N 1 0 391.446 4.392 20 0 GIADRO CC(C)[C@H](CNC(=O)c1cc(F)c(F)cc1Cl)[N@@H+]1CCc2ccccc2C1 ZINC000025917250 820038417 /nfs/dbraw/zinc/03/84/17/820038417.db2.gz YMNAIDYUICCKJH-FQEVSTJZSA-N 1 0 392.877 4.431 20 0 GIADRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)/C=C/c1ccc(Cl)nc1 ZINC000123048044 823453157 /nfs/dbraw/zinc/45/31/57/823453157.db2.gz AEDDNVOUUITJMO-QPJJXVBHSA-N 1 0 387.936 4.244 20 0 GIADRO CC(=O)c1ccc(NC(=O)CC[N@@H+]2CCC[C@H]2CC(=O)c2cccs2)cc1 ZINC000177397594 823453186 /nfs/dbraw/zinc/45/31/86/823453186.db2.gz VLRINAPFUYOACE-SFHVURJKSA-N 1 0 384.501 4.017 20 0 GIADRO Cc1c(Cl)cccc1NC(=O)CN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000573103094 823448012 /nfs/dbraw/zinc/44/80/12/823448012.db2.gz WBZQAALXTPXNBV-VQTJNVASSA-N 1 0 397.950 4.041 20 0 GIADRO Cc1c(Cl)cccc1NC(=O)CN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000573103092 823448099 /nfs/dbraw/zinc/44/80/99/823448099.db2.gz WBZQAALXTPXNBV-PMACEKPBSA-N 1 0 397.950 4.041 20 0 GIADRO CCOc1cc(C[NH2+][C@H](C)c2ccc(NC(N)=O)cc2)ccc1OC(F)F ZINC000123014671 823448245 /nfs/dbraw/zinc/44/82/45/823448245.db2.gz VUCWYMDJYYJBTO-GFCCVEGCSA-N 1 0 379.407 4.028 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)c2cc(C)nc3c2cnn3C(C)C)cc1 ZINC000025966396 820044858 /nfs/dbraw/zinc/04/48/58/820044858.db2.gz VMSMIJYTVLPCSB-UHFFFAOYSA-N 1 0 393.535 4.092 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC(=O)Nc1c(C)cc(C)cc1C)CC3 ZINC000123015107 823448501 /nfs/dbraw/zinc/44/85/01/823448501.db2.gz AQFAOUUZABCCMX-KRWDZBQOSA-N 1 0 391.515 4.187 20 0 GIADRO CC(C)Oc1ccc2ccccc2c1C[NH+]1CCC([C@H]2NC(=O)C2(C)C)CC1 ZINC000573106981 823448777 /nfs/dbraw/zinc/44/87/77/823448777.db2.gz ZRAKFCVXOYQTSA-JOCHJYFZSA-N 1 0 380.532 4.364 20 0 GIADRO COc1ccc([C@@H](NC(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)C(C)C)cc1 ZINC000026173974 820066492 /nfs/dbraw/zinc/06/64/92/820066492.db2.gz DFOGQZXIBYCAQI-MBSDFSHPSA-N 1 0 395.547 4.138 20 0 GIADRO C[C@@H](CNC(=O)N[C@@H]1CCSc2ccc(F)cc21)[N@@H+]1CCc2ccccc2C1 ZINC000026173012 820066778 /nfs/dbraw/zinc/06/67/78/820066778.db2.gz VRVSVJRGHPTYGZ-MGPUTAFESA-N 1 0 399.535 4.109 20 0 GIADRO Cc1ccc(OCCC[NH+]2CCC(NC(=O)c3ccc(F)cc3)CC2)cc1C ZINC000026169918 820066857 /nfs/dbraw/zinc/06/68/57/820066857.db2.gz KVAWHEOKPFUFKP-UHFFFAOYSA-N 1 0 384.495 4.106 20 0 GIADRO COc1cc(C[NH2+]Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)cc(OC)c1 ZINC000189578825 823450011 /nfs/dbraw/zinc/45/00/11/823450011.db2.gz LURQZZDATRGQMP-UHFFFAOYSA-N 1 0 398.503 4.244 20 0 GIADRO Cc1ccc(Cn2cc(C[NH2+]C[C@H]3CCCO3)c(-c3ccc(C)cc3)n2)cc1 ZINC000026302938 820079574 /nfs/dbraw/zinc/07/95/74/820079574.db2.gz MCXIEJCWYNEJFU-HSZRJFAPSA-N 1 0 375.516 4.484 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)NCCc2c[nH]c3ccc(F)cc23)CC1 ZINC000573132519 823451867 /nfs/dbraw/zinc/45/18/67/823451867.db2.gz AODVSOLTRGHHBF-UHFFFAOYSA-N 1 0 388.531 4.003 20 0 GIADRO COCC[N@H+](CC(=O)N[C@@H](c1cccs1)c1ccc(C)cc1)C1CCCC1 ZINC000026447799 820097601 /nfs/dbraw/zinc/09/76/01/820097601.db2.gz BTKXCIQSXHZOBC-JOCHJYFZSA-N 1 0 386.561 4.153 20 0 GIADRO C[C@H](NCc1cccc(C[NH+]2CCCC2)c1)c1ccc(-n2cncn2)cc1Cl ZINC000123043554 823452542 /nfs/dbraw/zinc/45/25/42/823452542.db2.gz CYMWBVVHLFKBFV-KRWDZBQOSA-N 1 0 395.938 4.367 20 0 GIADRO CCOc1cc(C[N@H+](C)CCC(=O)Nc2cccc(F)c2)ccc1OC(F)F ZINC000026455352 820100418 /nfs/dbraw/zinc/10/04/18/820100418.db2.gz SZLPRLZBFNAHDZ-UHFFFAOYSA-N 1 0 396.409 4.286 20 0 GIADRO CC(C)([NH3+])c1nocc1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000573136936 823452653 /nfs/dbraw/zinc/45/26/53/823452653.db2.gz BWYOCNSDWDWXAB-UHFFFAOYSA-N 1 0 381.276 4.158 20 0 GIADRO Cc1cc(C[NH2+]C[C@H](O)c2ccc(F)cc2)cc(C)c1OCc1ccccn1 ZINC000058792133 823452679 /nfs/dbraw/zinc/45/26/79/823452679.db2.gz IDKIIGVQVYJPHM-QFIPXVFZSA-N 1 0 380.463 4.240 20 0 GIADRO CCC[C@@H]1CCCCN1C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000573141868 823454142 /nfs/dbraw/zinc/45/41/42/823454142.db2.gz VZQXWEWRBWWCTK-HXUWFJFHSA-N 1 0 375.582 4.464 20 0 GIADRO CCC[C@H]1CCCCN1C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000573141867 823454323 /nfs/dbraw/zinc/45/43/23/823454323.db2.gz VZQXWEWRBWWCTK-FQEVSTJZSA-N 1 0 375.582 4.464 20 0 GIADRO S=c1oc(-c2cccc(Cl)c2)nn1CN1CC[NH+](C2CCCC2)CC1 ZINC000026628356 820125618 /nfs/dbraw/zinc/12/56/18/820125618.db2.gz SSMXTHSTMRNZTR-UHFFFAOYSA-N 1 0 378.929 4.044 20 0 GIADRO COc1ccccc1C(C)(C)C(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000058804729 823455114 /nfs/dbraw/zinc/45/51/14/823455114.db2.gz VMCVCAZZKVCARS-UHFFFAOYSA-N 1 0 380.532 4.016 20 0 GIADRO COc1ccc(Br)cc1C[NH2+]C[C@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000189599193 823455296 /nfs/dbraw/zinc/45/52/96/823455296.db2.gz LTRWTCAXJTUVTR-WFASDCNBSA-N 1 0 396.247 4.031 20 0 GIADRO C(CCN1CCC[N@H+](CCCCC2CCOCC2)CC1)CC1CCOCC1 ZINC000410310594 823459486 /nfs/dbraw/zinc/45/94/86/823459486.db2.gz MKLDQDVFOBGRLI-UHFFFAOYSA-N 1 0 380.617 4.188 20 0 GIADRO COC(=O)[C@@H](C)[C@@H]([NH2+]Cc1cccc(OCC(F)(F)F)c1)c1ccccc1 ZINC000177415352 823456797 /nfs/dbraw/zinc/45/67/97/823456797.db2.gz HGVRWOCTYMEKOV-KBXCAEBGSA-N 1 0 381.394 4.268 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CCc1cnn(-c2ccccc2)c1)CC3 ZINC000123070379 823456826 /nfs/dbraw/zinc/45/68/26/823456826.db2.gz NEVGEALFKUAYFC-SFHVURJKSA-N 1 0 386.499 4.052 20 0 GIADRO COc1ncc(C[NH+]2CCC(c3nc4cc(Cl)ccc4s3)CC2)c(C)n1 ZINC000410304263 823457430 /nfs/dbraw/zinc/45/74/30/823457430.db2.gz CEXAFAHUOONWTR-UHFFFAOYSA-N 1 0 388.924 4.436 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cc(C2CC2)nc2onc(C)c21 ZINC000026942644 820166971 /nfs/dbraw/zinc/16/69/71/820166971.db2.gz YDZCOZYBVZCXFZ-UHFFFAOYSA-N 1 0 392.503 4.180 20 0 GIADRO COc1cc(CN(C)C(=O)C[N@H+](C(C)C)C2CC2)ccc1OCc1ccccc1 ZINC000026941715 820166998 /nfs/dbraw/zinc/16/69/98/820166998.db2.gz NJASOYRKBBJDNT-UHFFFAOYSA-N 1 0 396.531 4.105 20 0 GIADRO COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+][C@@H](C)C(=O)Nc2cc(C)no2)cc1 ZINC000123076957 823458219 /nfs/dbraw/zinc/45/82/19/823458219.db2.gz APXAIKHKINQZGQ-YWZLYKJASA-N 1 0 397.450 4.031 20 0 GIADRO O=C(Nc1ccc(F)cc1)[C@@H]([NH2+]C[C@H]1Cc2ccccc2O1)c1ccccc1 ZINC000027032625 820183358 /nfs/dbraw/zinc/18/33/58/820183358.db2.gz QPPWDBZTVZIBGE-IRLDBZIGSA-N 1 0 376.431 4.099 20 0 GIADRO CSCC[C@@H]([NH2+]CCn1ccc2cc(Cl)ccc21)c1nnc2ccccn21 ZINC000573168996 823459135 /nfs/dbraw/zinc/45/91/35/823459135.db2.gz OFPKLKJHHDFYBD-QGZVFWFLSA-N 1 0 399.951 4.421 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)c2occc2Br)CC[N@@H+]1Cc1ccccc1 ZINC000177423043 823459152 /nfs/dbraw/zinc/45/91/52/823459152.db2.gz YOOZKBYNHJENTC-GDBMZVCRSA-N 1 0 391.309 4.167 20 0 GIADRO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000123082768 823459184 /nfs/dbraw/zinc/45/91/84/823459184.db2.gz IOBMNNBPJRRDGG-OAQYLSRUSA-N 1 0 387.886 4.164 20 0 GIADRO CCSc1ccc(Cl)cc1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000177427781 823459896 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O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000027139472 820200290 /nfs/dbraw/zinc/20/02/90/820200290.db2.gz MYJDOOMHFDKRHH-HSZRJFAPSA-N 1 0 394.515 4.483 20 0 GIADRO Cc1coc(-c2cccc(NC(=O)NC3CC[NH+](CC4CCCC4)CC3)c2)n1 ZINC000177433694 823461262 /nfs/dbraw/zinc/46/12/62/823461262.db2.gz YNJYWQOIKTXJGR-UHFFFAOYSA-N 1 0 382.508 4.426 20 0 GIADRO CCOc1cccc(C[NH2+]CCc2nc3c(cccc3C)o2)c1OC(F)F ZINC000410318044 823461386 /nfs/dbraw/zinc/46/13/86/823461386.db2.gz NJCLJQVQTLFKFF-UHFFFAOYSA-N 1 0 376.403 4.469 20 0 GIADRO COc1ccc(C(=O)C(C(=S)Nc2ccc(F)cc2)[n+]2ccc(C)cc2)cc1 ZINC000027194560 820208465 /nfs/dbraw/zinc/20/84/65/820208465.db2.gz LVOZSOWPDZXCLO-UHFFFAOYSA-O 1 0 395.479 4.481 20 0 GIADRO Cc1ccc(C(=O)C2CC[NH+](C[C@@H](O)COc3cc(C)ccc3C)CC2)c(C)c1 ZINC000027211693 820210383 /nfs/dbraw/zinc/21/03/83/820210383.db2.gz HTXHKABSDZMFHU-JOCHJYFZSA-N 1 0 395.543 4.255 20 0 GIADRO COc1cccc([C@H](CNC(=O)Nc2ccc(N3CCCCC3)cc2)[NH+](C)C)c1 ZINC000058844542 823461677 /nfs/dbraw/zinc/46/16/77/823461677.db2.gz ISJKJQNESDOCNQ-QFIPXVFZSA-N 1 0 396.535 4.110 20 0 GIADRO CCCOc1ccc(CNC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000410321854 823462333 /nfs/dbraw/zinc/46/23/33/823462333.db2.gz QCYNXGLGSBPXFF-UHFFFAOYSA-N 1 0 395.547 4.248 20 0 GIADRO CCCCNC(=S)C(C(=O)c1ccc(OC)cc1)[n+]1ccc(CCC)cc1 ZINC000027326191 820224526 /nfs/dbraw/zinc/22/45/26/820224526.db2.gz CALKUXSLXWZUTD-UHFFFAOYSA-O 1 0 385.553 4.264 20 0 GIADRO O=C(c1cccc(C(F)(F)F)c1)N1CC[NH+](CCCCC2CCOCC2)CC1 ZINC000410322337 823462650 /nfs/dbraw/zinc/46/26/50/823462650.db2.gz UQIUGJWTBQFCFU-UHFFFAOYSA-N 1 0 398.469 4.060 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccccc1COc1ccccc1 ZINC000027336417 820226540 /nfs/dbraw/zinc/22/65/40/820226540.db2.gz NZKXHAUTCGEAJQ-JOCHJYFZSA-N 1 0 390.483 4.426 20 0 GIADRO C[N@H+](CCNC(=O)CC1(Cc2nc3ccccc3s2)CCCCC1)C1CC1 ZINC000058857217 823462747 /nfs/dbraw/zinc/46/27/47/823462747.db2.gz AWBFEVUSWYFKKI-UHFFFAOYSA-N 1 0 385.577 4.390 20 0 GIADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)COc2ccc3ccccc3c2)CC1 ZINC000027391024 820237597 /nfs/dbraw/zinc/23/75/97/820237597.db2.gz CIZIGJXOSORFMU-UHFFFAOYSA-N 1 0 388.511 4.262 20 0 GIADRO Cc1ccc2cc(C[N@@H+]3CCCN(C(=O)c4cccc(F)c4)CC3)ccc2n1 ZINC000189640641 823465278 /nfs/dbraw/zinc/46/52/78/823465278.db2.gz VCJSEZBNYMDOOX-UHFFFAOYSA-N 1 0 377.463 4.030 20 0 GIADRO Cc1ccc([C@H](C)NC(=O)C[N@H+](Cc2ccc(F)cc2)C2CCOCC2)cc1C ZINC000573193220 823463554 /nfs/dbraw/zinc/46/35/54/823463554.db2.gz XKMYTRMJRFLYKG-IBGZPJMESA-N 1 0 398.522 4.301 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000189634606 823463560 /nfs/dbraw/zinc/46/35/60/823463560.db2.gz XDIZAOYGUWOFIQ-APWZRJJASA-N 1 0 381.442 4.062 20 0 GIADRO CC(C)[NH+](CCNC(=O)c1cc2ccccc2cc1NC(=O)C1CC1)C(C)C ZINC000027458531 820246737 /nfs/dbraw/zinc/24/67/37/820246737.db2.gz FGWSIZQBBMDDCQ-UHFFFAOYSA-N 1 0 381.520 4.037 20 0 GIADRO Cc1cc(C(=O)C(C(=S)N[C@@H]2CCCC[C@H]2C)[n+]2ccc(C)cc2)c(C)n1C ZINC000027486758 820251776 /nfs/dbraw/zinc/25/17/76/820251776.db2.gz PEXCMZLONZZSOS-OXQOHEQNSA-O 1 0 398.596 4.345 20 0 GIADRO O=C(Nc1ccccc1C(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccsc1 ZINC000177448362 823464562 /nfs/dbraw/zinc/46/45/62/823464562.db2.gz VROUVFKDGKIOEW-UHFFFAOYSA-N 1 0 397.544 4.137 20 0 GIADRO C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000410331467 823465390 /nfs/dbraw/zinc/46/53/90/823465390.db2.gz ZHMCPCPLBKCSCJ-ZBEGNZNMSA-N 1 0 387.332 4.241 20 0 GIADRO O=C(C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)Nc1cccc2ccccc21 ZINC000027569019 820259916 /nfs/dbraw/zinc/25/99/16/820259916.db2.gz FHFKRTOXIVOAMH-LJQANCHMSA-N 1 0 387.483 4.129 20 0 GIADRO Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)c(C)c1 ZINC000027570794 820260760 /nfs/dbraw/zinc/26/07/60/820260760.db2.gz NLKJLCXGLPVBSI-WOJBJXKFSA-N 1 0 393.531 4.290 20 0 GIADRO CC1CC[NH+]([C@H](CNC(=O)c2c[nH]nc2-c2ccccc2)c2cccs2)CC1 ZINC000027574907 820261698 /nfs/dbraw/zinc/26/16/98/820261698.db2.gz UFVBINJDCMENFF-LJQANCHMSA-N 1 0 394.544 4.341 20 0 GIADRO C[C@H](NC(=O)C[N@H+](Cc1ccc2c(c1)OCO2)C1CCCC1)c1cccs1 ZINC000027574533 820261850 /nfs/dbraw/zinc/26/18/50/820261850.db2.gz IIMFBEXTOWIYBK-HNNXBMFYSA-N 1 0 386.517 4.099 20 0 GIADRO CC1CC[NH+]([C@@H](CNC(=O)c2cc(Br)c[nH]2)c2cccs2)CC1 ZINC000027574464 820262122 /nfs/dbraw/zinc/26/21/22/820262122.db2.gz JHIIGUUMWGWAQG-HNNXBMFYSA-N 1 0 396.354 4.042 20 0 GIADRO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000573207437 823465640 /nfs/dbraw/zinc/46/56/40/823465640.db2.gz WDRVFTWIGSDEEJ-JXFKEZNVSA-N 1 0 375.463 4.158 20 0 GIADRO O=C(Cc1[nH]nc2ccccc21)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000573252854 823471152 /nfs/dbraw/zinc/47/11/52/823471152.db2.gz LRHXQCOBJYDZSQ-UHFFFAOYSA-N 1 0 394.544 4.322 20 0 GIADRO O=C(Cc1csc(-c2ccccc2)n1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000058880566 823465770 /nfs/dbraw/zinc/46/57/70/823465770.db2.gz UFRMYZXKHVRTEJ-UHFFFAOYSA-N 1 0 397.588 4.467 20 0 GIADRO Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000027602914 820265701 /nfs/dbraw/zinc/26/57/01/820265701.db2.gz LWOMWGZNTSOALU-RDJZCZTQSA-N 1 0 392.952 4.431 20 0 GIADRO C[C@@H](CCc1ccco1)NC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000410334221 823466067 /nfs/dbraw/zinc/46/60/67/823466067.db2.gz BWDXYQVHFDUROY-IBGZPJMESA-N 1 0 383.536 4.332 20 0 GIADRO COc1ccc([C@@H](CNC(=O)c2cc(Cl)ccc2F)[NH+]2CCCCC2)cc1 ZINC000027668722 820272992 /nfs/dbraw/zinc/27/29/92/820272992.db2.gz BLBKVLLFQWQODS-HXUWFJFHSA-N 1 0 390.886 4.445 20 0 GIADRO COc1ccc([C@@H](CNC(=O)[C@H](C)Oc2cccc(C)c2)[NH+]2CCCCC2)cc1 ZINC000027667258 820273058 /nfs/dbraw/zinc/27/30/58/820273058.db2.gz VRAAGCGEQBUBMV-WMZHIEFXSA-N 1 0 396.531 4.114 20 0 GIADRO Cc1nn(Cc2ccccc2)c(C)c1C(=O)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000058883602 823466498 /nfs/dbraw/zinc/46/64/98/823466498.db2.gz VFWQHZJLLSENBF-SVMVAKDDSA-N 1 0 394.563 4.026 20 0 GIADRO CCCc1ccc(C(=O)CCC(=O)N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)cc1 ZINC000058884022 823466561 /nfs/dbraw/zinc/46/65/61/823466561.db2.gz MNGZLXXWNLSIAZ-XQBPLPMBSA-N 1 0 384.564 4.466 20 0 GIADRO CC1CC[NH+](Cc2ccc(CNC(=O)N3CCC[C@@H]3c3cccnc3)cc2)CC1 ZINC000410340303 823467286 /nfs/dbraw/zinc/46/72/86/823467286.db2.gz LONUKDLEMXOSRQ-HSZRJFAPSA-N 1 0 392.547 4.360 20 0 GIADRO O[C@H](C[C@H]1CCCCC[N@@H+]1Cc1cc(F)cc2c1OCOC2)c1ccco1 ZINC000177458682 823467368 /nfs/dbraw/zinc/46/73/68/823467368.db2.gz MTZHEDXMSZDXDF-RTBURBONSA-N 1 0 375.440 4.154 20 0 GIADRO CC[C@H](C(=O)Nc1ccccc1C[N@@H+]1CCC[C@@H](C(N)=O)C1)C1CCC(C)CC1 ZINC000460666327 823471350 /nfs/dbraw/zinc/47/13/50/823471350.db2.gz DSUHKEDVKHUCIZ-FMFRFZGHSA-N 1 0 399.579 4.175 20 0 GIADRO CC(C)[NH+](CCn1c(SCc2cccnc2)nc2ccccc2c1=O)C(C)C ZINC000027809209 820287982 /nfs/dbraw/zinc/28/79/82/820287982.db2.gz IZZHPWAQHAXQHL-UHFFFAOYSA-N 1 0 396.560 4.203 20 0 GIADRO CCCOc1ccc([C@H](C)[NH2+][C@@H]2CCCN(CC(C)(C)C)C2=O)cc1OC ZINC000460653034 823467543 /nfs/dbraw/zinc/46/75/43/823467543.db2.gz YHCQSPVJTNTKHP-FUHWJXTLSA-N 1 0 376.541 4.172 20 0 GIADRO Brc1ccc([C@H]2C[N@H+](CCCCC3CCOCC3)CCO2)cc1 ZINC000410341552 823467763 /nfs/dbraw/zinc/46/77/63/823467763.db2.gz AAYZVMNFZXDOOA-LJQANCHMSA-N 1 0 382.342 4.419 20 0 GIADRO Cc1cn(-c2ccccc2Cl)nc1-c1nc(CC23CCC[NH+]2CCC3)no1 ZINC000573228055 823468004 /nfs/dbraw/zinc/46/80/04/823468004.db2.gz RESVAHYKONBDGV-UHFFFAOYSA-N 1 0 383.883 4.055 20 0 GIADRO Cc1ccc2c(CC(=O)NC3CC[NH+](CCc4ccccc4)CC3)coc2c1C ZINC000027927644 820297782 /nfs/dbraw/zinc/29/77/82/820297782.db2.gz YXCKNCBEZFDCHE-UHFFFAOYSA-N 1 0 390.527 4.415 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCC[C@@H]3c3cccnc3)cc2)C1 ZINC000410354244 823471380 /nfs/dbraw/zinc/47/13/80/823471380.db2.gz OEHGINBIDVQZFH-WMZHIEFXSA-N 1 0 392.547 4.360 20 0 GIADRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)c1cc(Cl)cc(Cl)c1 ZINC000027939030 820299299 /nfs/dbraw/zinc/29/92/99/820299299.db2.gz SGJZZYDEOKYQHG-UHFFFAOYSA-N 1 0 377.315 4.430 20 0 GIADRO CSc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1 ZINC000027952434 820300117 /nfs/dbraw/zinc/30/01/17/820300117.db2.gz JOUHCVJNYOZLLE-DLBZAZTESA-N 1 0 397.544 4.086 20 0 GIADRO COc1ccc(NC(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)cc1OC ZINC000410344325 823468545 /nfs/dbraw/zinc/46/85/45/823468545.db2.gz KJHCONXCRNGVEZ-KRWDZBQOSA-N 1 0 397.519 4.400 20 0 GIADRO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000028070854 820309238 /nfs/dbraw/zinc/30/92/38/820309238.db2.gz JUVQUEQOTMXQDZ-UHFFFAOYSA-N 1 0 393.890 4.294 20 0 GIADRO COCc1c(C(=O)NCCC[NH+]2CCC(C)CC2)sc2cccc(F)c21 ZINC000028068871 820309356 /nfs/dbraw/zinc/30/93/56/820309356.db2.gz JHLZOFVKIDRHKP-UHFFFAOYSA-N 1 0 378.513 4.039 20 0 GIADRO Cc1[nH]c(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)c(C)c1C(=O)OC(C)C ZINC000028168026 820314716 /nfs/dbraw/zinc/31/47/16/820314716.db2.gz PPNZZVTZEXQBGR-UHFFFAOYSA-N 1 0 383.492 4.045 20 0 GIADRO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1ccc(Br)cc1F ZINC000028172691 820315311 /nfs/dbraw/zinc/31/53/11/820315311.db2.gz DQBGEZZWMKBRBB-UHFFFAOYSA-N 1 0 377.257 4.436 20 0 GIADRO Cc1cc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)c2cnn(C(C)C)c2n1 ZINC000028176312 820315514 /nfs/dbraw/zinc/31/55/14/820315514.db2.gz KATVJYOUWDPDDC-UHFFFAOYSA-N 1 0 377.492 4.169 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc3ccccc3c2)c1 ZINC000028336830 820326345 /nfs/dbraw/zinc/32/63/45/820326345.db2.gz LPXFXCYRWAGAAC-HOTGVXAUSA-N 1 0 375.472 4.476 20 0 GIADRO CCc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1 ZINC000028347123 820327146 /nfs/dbraw/zinc/32/71/46/820327146.db2.gz YXTCPZMFWFVCFX-HOTGVXAUSA-N 1 0 379.504 4.275 20 0 GIADRO Cc1cccc(C)c1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000028350118 820327978 /nfs/dbraw/zinc/32/79/78/820327978.db2.gz RZBROXSLKBDLCX-DLBZAZTESA-N 1 0 379.504 4.330 20 0 GIADRO CCOc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1 ZINC000028350718 820328400 /nfs/dbraw/zinc/32/84/00/820328400.db2.gz VDRZKOOYVHSLMZ-HOTGVXAUSA-N 1 0 395.503 4.112 20 0 GIADRO Cc1ccccc1COc1ccccc1C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000058917770 823470347 /nfs/dbraw/zinc/47/03/47/823470347.db2.gz GHTFRCCEPNOFDH-NRFANRHFSA-N 1 0 378.516 4.274 20 0 GIADRO CN(Cc1ccc(Cl)cc1Cl)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000028399363 820332908 /nfs/dbraw/zinc/33/29/08/820332908.db2.gz VVJMAIGZEPOXLE-UHFFFAOYSA-N 1 0 380.319 4.397 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N(C)CCc2ccccc2)C1 ZINC000410351595 823470764 /nfs/dbraw/zinc/47/07/64/823470764.db2.gz LWLSPBHNOGAOQR-HXUWFJFHSA-N 1 0 379.548 4.303 20 0 GIADRO CC(C)(C)CN1CCC[C@H]([NH2+]CC2(c3ccccc3Cl)CCOCC2)C1=O ZINC000460663245 823470798 /nfs/dbraw/zinc/47/07/98/823470798.db2.gz JOUJPIDTXLMICG-IBGZPJMESA-N 1 0 392.971 4.015 20 0 GIADRO CC(C)[N@H+](C)C[C@H](C)NC(=O)Nc1cc(Cl)ccc1OCC(F)(F)F ZINC000573251542 823470861 /nfs/dbraw/zinc/47/08/61/823470861.db2.gz RNOBTHZQHTVSEE-NSHDSACASA-N 1 0 381.826 4.131 20 0 GIADRO O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N(CCc1ccccc1)c1ccccc1 ZINC000573263561 823472826 /nfs/dbraw/zinc/47/28/26/823472826.db2.gz AXOKPCKMONPOMY-QHCPKHFHSA-N 1 0 394.584 4.480 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+][C@H](C)C[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC000177484022 823473076 /nfs/dbraw/zinc/47/30/76/823473076.db2.gz LNMOBQACXKUJEF-GUXCAODWSA-N 1 0 389.540 4.474 20 0 GIADRO Cc1cccc2oc(CC[NH2+][C@H](C)CC(=O)N(C)Cc3ccccc3Cl)nc21 ZINC000410357732 823473133 /nfs/dbraw/zinc/47/31/33/823473133.db2.gz FUHVCWFTBISWIX-MRXNPFEDSA-N 1 0 399.922 4.359 20 0 GIADRO Cn1cc(C[NH2+]CCCCc2ccccc2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000028817388 820360596 /nfs/dbraw/zinc/36/05/96/820360596.db2.gz NNNASWSIYDCAFA-UHFFFAOYSA-N 1 0 391.515 4.361 20 0 GIADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccc(OCC(F)(F)F)cc1 ZINC000028834520 820362085 /nfs/dbraw/zinc/36/20/85/820362085.db2.gz GONGPWUZPPDYDS-INIZCTEOSA-N 1 0 398.450 4.256 20 0 GIADRO Cc1ccc(-n2ncc(C(=O)NC[C@@H](c3ccccc3)[NH+](C)C)c2C(C)C)cc1 ZINC000028838885 820362458 /nfs/dbraw/zinc/36/24/58/820362458.db2.gz TUYFUNDMZKHDAS-QFIPXVFZSA-N 1 0 390.531 4.337 20 0 GIADRO O=C(CCc1ccc(Cl)cc1Cl)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000028837494 820362508 /nfs/dbraw/zinc/36/25/08/820362508.db2.gz CGBRLFUIBJGPKG-KRWDZBQOSA-N 1 0 381.303 4.472 20 0 GIADRO CCc1ccc([C@H](CNC(=O)Cc2csc(-c3ccc(C)o3)n2)[NH+](C)C)cc1 ZINC000028841037 820362716 /nfs/dbraw/zinc/36/27/16/820362716.db2.gz CJVRNYDJKQHMJA-IBGZPJMESA-N 1 0 397.544 4.236 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCCOc1ccccc1F ZINC000410358252 823473557 /nfs/dbraw/zinc/47/35/57/823473557.db2.gz FDQKNRCMTHOCAC-GOSISDBHSA-N 1 0 399.510 4.078 20 0 GIADRO C[N@H+](C[C@H](O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C1CC1 ZINC000573295348 823477292 /nfs/dbraw/zinc/47/72/92/823477292.db2.gz QMBWWCDOPLJXOP-IBGZPJMESA-N 1 0 379.529 4.291 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc(Br)cc1)C(=O)Nc1cccnc1Cl ZINC000028878202 820365972 /nfs/dbraw/zinc/36/59/72/820365972.db2.gz SBJNEMGMYUXXCO-GHMZBOCLSA-N 1 0 382.689 4.175 20 0 GIADRO C[C@H](NCc1ccccc1C[NH+]1CCCCC1)C(=O)Nc1c(F)cccc1F ZINC000028899403 820369892 /nfs/dbraw/zinc/36/98/92/820369892.db2.gz ZMWFYBUAIIZCTL-INIZCTEOSA-N 1 0 387.474 4.068 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@@H](O)COc2ccc(C(C)(C)C)cc2C)c1 ZINC000028918124 820372459 /nfs/dbraw/zinc/37/24/59/820372459.db2.gz XCXGUUZPQWERJF-VGOFRKELSA-N 1 0 398.547 4.341 20 0 GIADRO CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)NC1CC[NH+](CCOC(C)C)CC1 ZINC000177489027 823474397 /nfs/dbraw/zinc/47/43/97/823474397.db2.gz CVDRZYNDWOOHSV-MOPGFXCFSA-N 1 0 389.584 4.006 20 0 GIADRO COCC(=O)Nc1cccc(C[NH2+]Cc2ccc(-c3ccccc3Cl)o2)c1 ZINC000028961086 820377107 /nfs/dbraw/zinc/37/71/07/820377107.db2.gz QZSFSXCFRHBYIV-UHFFFAOYSA-N 1 0 384.863 4.475 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Nc1ccc2c(c1)CCO2 ZINC000410361915 823474497 /nfs/dbraw/zinc/47/44/97/823474497.db2.gz BCEUSQFJQQDDLI-QGZVFWFLSA-N 1 0 379.504 4.318 20 0 GIADRO COc1ccc(CNC(=O)C2CC[NH+](Cc3c(C)oc4ccccc43)CC2)cc1 ZINC000123179838 823474792 /nfs/dbraw/zinc/47/47/92/823474792.db2.gz WYHSIOGDLVMYRL-UHFFFAOYSA-N 1 0 392.499 4.278 20 0 GIADRO O=C(CCCc1nc2ccccc2[nH]1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000029054163 820387943 /nfs/dbraw/zinc/38/79/43/820387943.db2.gz CNHUREMWBIAFDH-UHFFFAOYSA-N 1 0 382.552 4.191 20 0 GIADRO CC[NH+]1CCN(Cc2ccc(NC(=O)CCc3cccc(Cl)c3)cc2)CC1 ZINC000058954357 823475366 /nfs/dbraw/zinc/47/53/66/823475366.db2.gz JZNUYOXPATVFBI-UHFFFAOYSA-N 1 0 385.939 4.049 20 0 GIADRO CCOc1ccccc1NC(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000410365223 823475986 /nfs/dbraw/zinc/47/59/86/823475986.db2.gz CWFHCRIHQIYDSS-HDICACEKSA-N 1 0 397.519 4.016 20 0 GIADRO CC(C)[C@H](CNC(=O)CCc1c[nH]c2ccccc12)[N@@H+]1CCc2ccccc2C1 ZINC000029174000 820405401 /nfs/dbraw/zinc/40/54/01/820405401.db2.gz QLEISDPFUUIMTO-DEOSSOPVSA-N 1 0 389.543 4.300 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)c1 ZINC000029173727 820405481 /nfs/dbraw/zinc/40/54/81/820405481.db2.gz SACVHKQUYQGCBL-UHFFFAOYSA-N 1 0 397.482 4.248 20 0 GIADRO COc1ccc(SCCC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000029179085 820406983 /nfs/dbraw/zinc/40/69/83/820406983.db2.gz NZYRMCYIJYLRBY-NRFANRHFSA-N 1 0 384.545 4.131 20 0 GIADRO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[NH+]1CCC(OCC2CCCC2)CC1 ZINC000177496657 823476530 /nfs/dbraw/zinc/47/65/30/823476530.db2.gz JUNDFAYMCATDHU-DLBZAZTESA-N 1 0 376.516 4.063 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000058968168 823477092 /nfs/dbraw/zinc/47/70/92/823477092.db2.gz DSGRDVOYYKSQBF-UHFFFAOYSA-N 1 0 389.540 4.500 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Nc1ccccc1N(C)C ZINC000410386385 823483016 /nfs/dbraw/zinc/48/30/16/823483016.db2.gz UFZIETPTTAELSN-SFHVURJKSA-N 1 0 380.536 4.449 20 0 GIADRO CC1CC[NH+](Cc2ccc(CNC(=O)CCCOc3ccccc3)cc2)CC1 ZINC000029341799 820440121 /nfs/dbraw/zinc/44/01/21/820440121.db2.gz BIJGAAUNBVFXOA-UHFFFAOYSA-N 1 0 380.532 4.394 20 0 GIADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)C(c1ccccc1)c1ccccc1 ZINC000029371694 820444932 /nfs/dbraw/zinc/44/49/32/820444932.db2.gz VFGDTGJIKAAJHA-UHFFFAOYSA-N 1 0 394.584 4.296 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)CSc3ccc(C)cc3)c(C)c2)CC1 ZINC000029373754 820445729 /nfs/dbraw/zinc/44/57/29/820445729.db2.gz KIFDAXWSOZDUEX-UHFFFAOYSA-N 1 0 383.561 4.176 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)Cc3cccc4ccccc43)c(C)c2)CC1 ZINC000029374909 820445802 /nfs/dbraw/zinc/44/58/02/820445802.db2.gz RTLOAOKRZAQUMT-UHFFFAOYSA-N 1 0 387.527 4.471 20 0 GIADRO COC(=O)c1cccc(NC(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000410374812 823479932 /nfs/dbraw/zinc/47/99/32/823479932.db2.gz NTYXYCRVRASPFJ-KRWDZBQOSA-N 1 0 395.503 4.027 20 0 GIADRO Cc1ccoc1C(=O)Nc1ccc(C[NH+]2CCN(c3cccc(C)c3)CC2)cc1 ZINC000029416737 820453151 /nfs/dbraw/zinc/45/31/51/820453151.db2.gz VAVHOIVDBHNBGZ-UHFFFAOYSA-N 1 0 389.499 4.471 20 0 GIADRO CSc1ccccc1NC(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000410375075 823480033 /nfs/dbraw/zinc/48/00/33/823480033.db2.gz ZJCOGLOCNDKQTA-IAGOWNOFSA-N 1 0 399.560 4.339 20 0 GIADRO C[C@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)N1CCC[N@@H+](C2CC2)CC1 ZINC000177516136 823480287 /nfs/dbraw/zinc/48/02/87/823480287.db2.gz PUFJXLDFKRBEMC-GFCCVEGCSA-N 1 0 381.307 4.275 20 0 GIADRO COc1ccccc1Oc1ccc(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000177517081 823480708 /nfs/dbraw/zinc/48/07/08/823480708.db2.gz XIEYNKPRPWCIQI-SFHVURJKSA-N 1 0 395.503 4.437 20 0 GIADRO Cc1cc(Br)ccc1C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000059001085 823481280 /nfs/dbraw/zinc/48/12/80/823481280.db2.gz LHPOUFZLHGSHQP-UHFFFAOYSA-N 1 0 393.300 4.101 20 0 GIADRO CC(C)c1ccc(-c2nc(C(=O)N3CCN(c4cc[nH+]cc4)CC3)cs2)cc1 ZINC000029547027 820473981 /nfs/dbraw/zinc/47/39/81/820473981.db2.gz UICKFYRLHRMVDW-UHFFFAOYSA-N 1 0 392.528 4.291 20 0 GIADRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)c(C)n1CC(F)(F)F ZINC000059001666 823481657 /nfs/dbraw/zinc/48/16/57/823481657.db2.gz HDQPVSVVJHPOQN-UHFFFAOYSA-N 1 0 399.432 4.010 20 0 GIADRO Cc1ccc(Oc2ccc(NC(=O)N3CC[C@H](C[NH+]4CCCC4)C3)cn2)cc1 ZINC000177527262 823482804 /nfs/dbraw/zinc/48/28/04/823482804.db2.gz WXMJLHHOSJBXOK-GOSISDBHSA-N 1 0 380.492 4.132 20 0 GIADRO C[N@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)[C@@H]1CCCc2ccccc21 ZINC000029702591 820500757 /nfs/dbraw/zinc/50/07/57/820500757.db2.gz UQXIULUOQBXTIA-TZIWHRDSSA-N 1 0 382.467 4.233 20 0 GIADRO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1cc(-c2ccc(F)cc2)no1 ZINC000029705025 820501408 /nfs/dbraw/zinc/50/14/08/820501408.db2.gz RAMXVMYWWAAAGH-OAHLLOKOSA-N 1 0 377.423 4.254 20 0 GIADRO Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000177534057 823484557 /nfs/dbraw/zinc/48/45/57/823484557.db2.gz TYNWJTDCHZKWAR-NWDGAFQWSA-N 1 0 385.455 4.226 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(Sc3nc(C)cs3)cc2)C1 ZINC000177537818 823485555 /nfs/dbraw/zinc/48/55/55/823485555.db2.gz UMPKGWIPLZKUJJ-HNNXBMFYSA-N 1 0 390.578 4.408 20 0 GIADRO Cc1nc(COc2cccc(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)c2)cs1 ZINC000029788047 820519179 /nfs/dbraw/zinc/51/91/79/820519179.db2.gz UPBDQOJLYCMQAC-UHFFFAOYSA-N 1 0 387.549 4.070 20 0 GIADRO C[C@@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)c1ncc(-c2ccccc2)o1 ZINC000177538954 823485918 /nfs/dbraw/zinc/48/59/18/823485918.db2.gz KUJJBQTWOVCAHB-QGZVFWFLSA-N 1 0 396.535 4.499 20 0 GIADRO C[C@H](NC(=O)C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1)c1ccc(F)cc1 ZINC000029825660 820526021 /nfs/dbraw/zinc/52/60/21/820526021.db2.gz NCDXGDHNDRLDSF-DOTOQJQBSA-N 1 0 381.451 4.024 20 0 GIADRO Cc1nc(-c2cccs2)sc1C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000029839940 820529521 /nfs/dbraw/zinc/52/95/21/820529521.db2.gz VWKJFRLRUCWFDO-UHFFFAOYSA-N 1 0 397.569 4.358 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)CC[N@H+](C)CCCOc1ccccc1 ZINC000029854798 820532767 /nfs/dbraw/zinc/53/27/67/820532767.db2.gz KWVVBYIRDLUWRZ-UHFFFAOYSA-N 1 0 376.884 4.078 20 0 GIADRO Cc1ccc(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1NC(=O)Nc1ccccc1 ZINC000177543897 823486931 /nfs/dbraw/zinc/48/69/31/823486931.db2.gz ZGLUFIVRAGZWEL-UXHICEINSA-N 1 0 394.519 4.242 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)c1ccc(N)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000029880296 820539230 /nfs/dbraw/zinc/53/92/30/820539230.db2.gz WPGRZHNCLCMGBP-UHFFFAOYSA-N 1 0 382.464 4.194 20 0 GIADRO COc1ccc(SCCC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000029898327 820543030 /nfs/dbraw/zinc/54/30/30/820543030.db2.gz FZGPJFCDHAHXDE-IBGZPJMESA-N 1 0 388.533 4.114 20 0 GIADRO C[C@H](NC(=O)NCc1ccc(OCC[NH+](C)C)cc1)c1cccc2ccccc21 ZINC000410401493 823487484 /nfs/dbraw/zinc/48/74/84/823487484.db2.gz XIHLGMXHXQAHDJ-SFHVURJKSA-N 1 0 391.515 4.341 20 0 GIADRO CC[C@@H](NC(=O)NCc1ccc(OCC[NH+](C)C)cc1)c1cccc(Cl)c1 ZINC000410402330 823487662 /nfs/dbraw/zinc/48/76/62/823487662.db2.gz ZFUPSNGVRBPOCS-HXUWFJFHSA-N 1 0 389.927 4.231 20 0 GIADRO CC[C@H](CNC(=O)CCC(=O)c1cc(C)sc1C)[N@@H+]1CCc2ccccc2C1 ZINC000029911259 820546569 /nfs/dbraw/zinc/54/65/69/820546569.db2.gz RVMPOBPSEIYMEO-HXUWFJFHSA-N 1 0 398.572 4.281 20 0 GIADRO CC[C@@H](CNC(=O)c1csc(Br)c1)[N@@H+]1CCc2ccccc2C1 ZINC000029912797 820546731 /nfs/dbraw/zinc/54/67/31/820546731.db2.gz OVSVQNCYLZPJNN-INIZCTEOSA-N 1 0 393.350 4.077 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(-c2csc(C)n2)c[nH]1)Cc1ccccc1 ZINC000029918927 820548212 /nfs/dbraw/zinc/54/82/12/820548212.db2.gz GIVJGAWGSZTOPJ-LJQANCHMSA-N 1 0 396.560 4.130 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(C(F)(F)F)nc1C)Cc1ccccc1 ZINC000029921035 820548645 /nfs/dbraw/zinc/54/86/45/820548645.db2.gz UETMJQRZGXAJRZ-QGZVFWFLSA-N 1 0 393.453 4.092 20 0 GIADRO Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123266716 823488018 /nfs/dbraw/zinc/48/80/18/823488018.db2.gz GBOMBWIPFDJEQM-ZYHUDNBSSA-N 1 0 383.970 4.388 20 0 GIADRO C[C@H]1C[NH+](Cc2ccc(CNc3ccc(C(F)(F)F)cn3)cc2)C[C@H](C)O1 ZINC000030001678 820565918 /nfs/dbraw/zinc/56/59/18/820565918.db2.gz XCTUAMGRHUGCGA-GJZGRUSLSA-N 1 0 379.426 4.322 20 0 GIADRO COc1cccc([C@@H](CNC(=O)c2cc(-c3cccc(Cl)c3)on2)[NH+](C)C)c1 ZINC000030017145 820570338 /nfs/dbraw/zinc/57/03/38/820570338.db2.gz DCMFPLDBXNBATI-LJQANCHMSA-N 1 0 399.878 4.036 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)c2cc(-c3ccccc3F)on2)cc1 ZINC000030033495 820572575 /nfs/dbraw/zinc/57/25/75/820572575.db2.gz LVLHXAJOZUSKCR-UHFFFAOYSA-N 1 0 381.451 4.253 20 0 GIADRO CC[C@H](NC(=O)NCc1cccc(OCC[NH+](C)C)c1)c1cccc(Cl)c1 ZINC000410411437 823490004 /nfs/dbraw/zinc/49/00/04/823490004.db2.gz OYTDBDWRQUWWSO-FQEVSTJZSA-N 1 0 389.927 4.231 20 0 GIADRO CCOc1ccc(NC(=O)c2ccc(NC(=O)C[N@H+](C)[C@H](C)C(C)C)cc2)cc1 ZINC000030148830 820579113 /nfs/dbraw/zinc/57/91/13/820579113.db2.gz NHDDFKJZGVKARB-QGZVFWFLSA-N 1 0 397.519 4.252 20 0 GIADRO CC(C)[C@@H](C)[N@H+](C)CC(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 ZINC000030149024 820579132 /nfs/dbraw/zinc/57/91/32/820579132.db2.gz HHLXOUZDQAKJFM-ZWKOTPCHSA-N 1 0 381.520 4.092 20 0 GIADRO CC(C)[C@@H](C)[N@H+](C)CC(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000030149312 820579163 /nfs/dbraw/zinc/57/91/63/820579163.db2.gz OIPWAOYFQQMMSW-MRXNPFEDSA-N 1 0 388.533 4.029 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)CC[N@H+](C)CCCOc1ccc(F)cc1 ZINC000030268659 820592505 /nfs/dbraw/zinc/59/25/05/820592505.db2.gz CNBNAYWQPQFSGR-UHFFFAOYSA-N 1 0 394.874 4.217 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@@H]1c1cccc(OC)c1)CC(C)C ZINC000059296982 823490222 /nfs/dbraw/zinc/49/02/22/823490222.db2.gz ZDQRBKGNWOIIGM-TZIWHRDSSA-N 1 0 375.557 4.298 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)C2(c3cccc(Br)c3)CCCC2)CC[N@@H+]1C ZINC000123314544 823494915 /nfs/dbraw/zinc/49/49/15/823494915.db2.gz BJULKXJYIYDLTI-CRAIPNDOSA-N 1 0 393.369 4.202 20 0 GIADRO C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@H]2C(=O)NC2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000410428509 823494964 /nfs/dbraw/zinc/49/49/64/823494964.db2.gz YMCBLNPRRYHHMN-MBPVOVBZSA-N 1 0 378.516 4.287 20 0 GIADRO COc1ccc(C[NH2+]CCCc2nnc(SC)n2CC(C)C)cc1Cl ZINC000177559352 823490857 /nfs/dbraw/zinc/49/08/57/823490857.db2.gz LMKLAFGFPFDBCD-UHFFFAOYSA-N 1 0 382.961 4.040 20 0 GIADRO CC[C@H](CNC(=O)N1CCC[C@H]1c1cccs1)[N@@H+]1CCc2ccccc2C1 ZINC000059308498 823491062 /nfs/dbraw/zinc/49/10/62/823491062.db2.gz ZEPCYMLZJYYRNK-UXHICEINSA-N 1 0 383.561 4.432 20 0 GIADRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(OC(C)C)c(OC)c2)cc1 ZINC000030492546 820622655 /nfs/dbraw/zinc/62/26/55/820622655.db2.gz LCMVDDUGPRXCHE-JKSUJKDBSA-N 1 0 386.492 4.169 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(N(C)C)cc2)ccc1OC(C)C ZINC000030492477 820622745 /nfs/dbraw/zinc/62/27/45/820622745.db2.gz AADATNMXKOYDBX-DLBZAZTESA-N 1 0 399.535 4.226 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2c(F)cccc2F)ccc1OC(C)C ZINC000030492707 820623309 /nfs/dbraw/zinc/62/33/09/820623309.db2.gz BHSGHWJDTNYUMO-KBPBESRZSA-N 1 0 392.446 4.438 20 0 GIADRO COc1cc([C@H](C)[NH2+]C[C@@H](O)COc2c(C)cccc2C)ccc1OC(C)C ZINC000030533627 820634038 /nfs/dbraw/zinc/63/40/38/820634038.db2.gz BRZZUGBCKFIPOF-AZUAARDMSA-N 1 0 387.520 4.190 20 0 GIADRO COc1ccc2ccccc2c1CN(C(=O)N[C@H]1CC[C@H](C[NH3+])C1)C1CCCC1 ZINC000573429791 823492308 /nfs/dbraw/zinc/49/23/08/823492308.db2.gz AAFOWEJKWDZWDP-HKUYNNGSSA-N 1 0 395.547 4.430 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)Nc2nc(CN3CCCCC3)cs2)cc1 ZINC000030558101 820640381 /nfs/dbraw/zinc/64/03/81/820640381.db2.gz MWEQCZBGRDSGCO-UHFFFAOYSA-N 1 0 386.565 4.223 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1csc(Br)c1 ZINC000030567595 820642263 /nfs/dbraw/zinc/64/22/63/820642263.db2.gz XZAYLJQZOWICPE-UHFFFAOYSA-N 1 0 393.350 4.427 20 0 GIADRO c1cnn(Cc2ccccc2C[NH2+]Cc2ccccc2OCc2ccncc2)c1 ZINC000030629117 820653632 /nfs/dbraw/zinc/65/36/32/820653632.db2.gz SQRRZWBDUZEJGT-UHFFFAOYSA-N 1 0 384.483 4.195 20 0 GIADRO Cc1cc(C(=O)NCC(C)(C)[NH+]2CCCCC2)ccc1NC(=O)c1cccs1 ZINC000123320870 823495775 /nfs/dbraw/zinc/49/57/75/823495775.db2.gz TUZUASSZIKOFON-UHFFFAOYSA-N 1 0 399.560 4.303 20 0 GIADRO COc1ccc(C[NH2+]CCc2cn3ccccc3n2)cc1OCc1ccccc1 ZINC000030661480 820660565 /nfs/dbraw/zinc/66/05/65/820660565.db2.gz PTNGGZWLFCJAAE-UHFFFAOYSA-N 1 0 387.483 4.254 20 0 GIADRO CNC(=O)c1ccc(C[NH2+]Cc2ccc(-c3ccc(Br)cc3)o2)cc1 ZINC000030671942 820662705 /nfs/dbraw/zinc/66/27/05/820662705.db2.gz WEAUAXXSNXJOFW-UHFFFAOYSA-N 1 0 399.288 4.359 20 0 GIADRO C[NH+](C)Cc1ccc(C(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)cc1 ZINC000189801484 823497125 /nfs/dbraw/zinc/49/71/25/823497125.db2.gz YJMHRXXGHYYWDK-UHFFFAOYSA-N 1 0 386.908 4.096 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ncoc2-c2ccccc2Cl)C1 ZINC000460729896 823497424 /nfs/dbraw/zinc/49/74/24/823497424.db2.gz JXWFSYDEESZMMO-GASCZTMLSA-N 1 0 375.900 4.093 20 0 GIADRO CSc1cccc(N(C(=O)c2cccc3c2O[C@H](C)C3)C2CC[NH+](C)CC2)c1 ZINC000410469716 823497979 /nfs/dbraw/zinc/49/79/79/823497979.db2.gz OBBAWBRECZDXNM-MRXNPFEDSA-N 1 0 396.556 4.473 20 0 GIADRO CC(C)[N@H+](C)CCCNC(=O)c1cn(C(C)(C)C)nc1-c1ccc(F)cc1F ZINC000460738488 823500693 /nfs/dbraw/zinc/50/06/93/823500693.db2.gz UOEUHIUYIAKGAE-UHFFFAOYSA-N 1 0 392.494 4.043 20 0 GIADRO CCOc1ncccc1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000030901471 820705294 /nfs/dbraw/zinc/70/52/94/820705294.db2.gz WNIOHHNAYDYJEN-UHFFFAOYSA-N 1 0 385.471 4.018 20 0 GIADRO c1cnn(-c2cc(C[NH2+]Cc3ccc(-c4nc5ccccc5s4)o3)ccn2)c1 ZINC000030901141 820705305 /nfs/dbraw/zinc/70/53/05/820705305.db2.gz DVYRVQIGFNRZIA-UHFFFAOYSA-N 1 0 387.468 4.427 20 0 GIADRO c1ncn(Cc2ccccc2C[NH2+]Cc2ccccc2OCc2ccccc2)n1 ZINC000030900780 820705350 /nfs/dbraw/zinc/70/53/50/820705350.db2.gz UZVZDLDBWXPYFD-UHFFFAOYSA-N 1 0 384.483 4.195 20 0 GIADRO Cc1c(C[NH2+]Cc2cccnc2OCC(F)(F)F)sc2nc(C)nc(C)c12 ZINC000030901205 820705435 /nfs/dbraw/zinc/70/54/35/820705435.db2.gz FTKXVCDUMRSZMR-UHFFFAOYSA-N 1 0 396.438 4.242 20 0 GIADRO COc1cc(C[NH2+][C@@H]2CCCc3c2cnn3C)ccc1OCc1cccs1 ZINC000030908742 820706651 /nfs/dbraw/zinc/70/66/51/820706651.db2.gz SXVJPUUPPHVYSY-GOSISDBHSA-N 1 0 383.517 4.236 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(Cl)c3cc(Cl)ccc3n2)[C@H](C)C1 ZINC000410511457 823500535 /nfs/dbraw/zinc/50/05/35/823500535.db2.gz GUFPKMIOLXMNHO-KZULUSFZSA-N 1 0 380.319 4.344 20 0 GIADRO COc1cc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c(OC)cc1Cl ZINC000030942646 820710415 /nfs/dbraw/zinc/71/04/15/820710415.db2.gz LAAIRWDJAIOHTK-MRXNPFEDSA-N 1 0 388.895 4.208 20 0 GIADRO O=C(NCc1ccc(F)cc1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000030989451 820717165 /nfs/dbraw/zinc/71/71/65/820717165.db2.gz RDDULBDKCNKQHK-IBGZPJMESA-N 1 0 375.875 4.115 20 0 GIADRO COc1cccc([C@H](C)CC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000177606526 823500081 /nfs/dbraw/zinc/50/00/81/823500081.db2.gz XPFLNUIDZWBZDN-QGZVFWFLSA-N 1 0 384.495 4.109 20 0 GIADRO C[C@H](NCc1ccccc1C[NH+]1CCCCCC1)c1nnnn1C1CCCCC1 ZINC000189835422 823503917 /nfs/dbraw/zinc/50/39/17/823503917.db2.gz BZVZUDMEOPVIHF-IBGZPJMESA-N 1 0 396.583 4.405 20 0 GIADRO Cc1nc(CC2CC2)sc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000189834518 823503990 /nfs/dbraw/zinc/50/39/90/823503990.db2.gz DFVKGNOSETVCRI-HNNXBMFYSA-N 1 0 375.563 4.032 20 0 GIADRO CC(C)c1ccc(C(=O)Nc2sccc2C(=O)NCC[NH+]2CCCCC2)cc1 ZINC000059984691 823504065 /nfs/dbraw/zinc/50/40/65/823504065.db2.gz BIUAWGDLBAUJFV-UHFFFAOYSA-N 1 0 399.560 4.340 20 0 GIADRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)CCc2ccccc2O)cc1 ZINC000031077807 820736444 /nfs/dbraw/zinc/73/64/44/820736444.db2.gz SLRCSPMLFRTMHY-UHFFFAOYSA-N 1 0 388.511 4.370 20 0 GIADRO CCc1cc(NCc2cccc(C[NH+](C)C)c2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000059984972 823504171 /nfs/dbraw/zinc/50/41/71/823504171.db2.gz ISYJJUKXHSEOKL-UHFFFAOYSA-N 1 0 391.475 4.288 20 0 GIADRO Cc1cccc(C)c1NC(=O)C[NH2+][C@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000123388974 823504236 /nfs/dbraw/zinc/50/42/36/823504236.db2.gz COWXDOYTSLSOSH-QZTJIDSGSA-N 1 0 389.540 4.010 20 0 GIADRO COc1cccc([C@H](C)CC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000177629167 823504297 /nfs/dbraw/zinc/50/42/97/823504297.db2.gz UEHMSBWZVWIHKZ-MSOLQXFVSA-N 1 0 386.561 4.279 20 0 GIADRO COc1ccccc1NC(=O)c1ccc(NC(=O)CC[N@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC000123388319 823504302 /nfs/dbraw/zinc/50/43/02/823504302.db2.gz BLDCIJXGIKBQRA-CALCHBBNSA-N 1 0 395.503 4.149 20 0 GIADRO COc1ccccc1NC(=O)c1ccc(NC(=O)CC[NH+]2[C@@H](C)CC[C@@H]2C)cc1 ZINC000123388565 823504380 /nfs/dbraw/zinc/50/43/80/823504380.db2.gz BLDCIJXGIKBQRA-IRXDYDNUSA-N 1 0 395.503 4.149 20 0 GIADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2(c3cccc(Br)c3)CC2)C1 ZINC000059990990 823504397 /nfs/dbraw/zinc/50/43/97/823504397.db2.gz YXXAQWNWNTUCER-OAHLLOKOSA-N 1 0 393.369 4.107 20 0 GIADRO C[N@H+](CCCNC(=O)N[C@H]1CCSc2c(F)cccc21)C1CCCCC1 ZINC000031106282 820744396 /nfs/dbraw/zinc/74/43/96/820744396.db2.gz IQWUFPUWISOYCO-SFHVURJKSA-N 1 0 379.545 4.316 20 0 GIADRO C[C@H](CNC(=O)N[C@H]1CCSc2c(F)cccc21)[N@@H+]1CCc2ccccc2C1 ZINC000031106708 820744724 /nfs/dbraw/zinc/74/47/24/820744724.db2.gz VZXQSICKNCYMRQ-QRWLVFNGSA-N 1 0 399.535 4.109 20 0 GIADRO C[N@H+](CCCNC(=O)c1ccc(NC(=O)c2cccs2)cc1)C1CCCCC1 ZINC000031144859 820752251 /nfs/dbraw/zinc/75/22/51/820752251.db2.gz AFGNAEUTMFDNGS-UHFFFAOYSA-N 1 0 399.560 4.385 20 0 GIADRO Cc1ccc(CCCNC(=O)NC2CC[NH+](CCc3ccccc3)CC2)c(C)c1 ZINC000031149119 820754115 /nfs/dbraw/zinc/75/41/15/820754115.db2.gz YVPBKBHJTSZNJZ-UHFFFAOYSA-N 1 0 393.575 4.242 20 0 GIADRO COc1ccc(OC)c([C@H](C)NC(=O)C[N@H+](C2CC2)[C@@H]2CCc3ccccc32)c1 ZINC000060061569 823506303 /nfs/dbraw/zinc/50/63/03/823506303.db2.gz IRNMMBBOJLIFFK-KSFYIVLOSA-N 1 0 394.515 4.033 20 0 GIADRO O=C(NCCc1cccc2ccccc21)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000031184269 820763240 /nfs/dbraw/zinc/76/32/40/820763240.db2.gz CKMDKADPONRTAT-NRFANRHFSA-N 1 0 377.488 4.112 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)NCCc1c[nH]c2ccccc12)c1ccsc1 ZINC000031194070 820765264 /nfs/dbraw/zinc/76/52/64/820765264.db2.gz ARZGRAMJFRESRA-HXUWFJFHSA-N 1 0 384.549 4.154 20 0 GIADRO CC1CC[NH+](Cc2ccc(CNC(=O)c3ccc(Br)o3)cc2)CC1 ZINC000031201028 820767563 /nfs/dbraw/zinc/76/75/63/820767563.db2.gz VZSFASQRZGPZCX-UHFFFAOYSA-N 1 0 391.309 4.204 20 0 GIADRO COc1cccc([C@@H](CNC(=O)c2sc(-c3ccc(C)o3)nc2C)[NH+](C)C)c1 ZINC000031209804 820769483 /nfs/dbraw/zinc/76/94/83/820769483.db2.gz DVQXLMNASBYVCG-QGZVFWFLSA-N 1 0 399.516 4.061 20 0 GIADRO COC(=O)c1ccc(C(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)cc1 ZINC000059888475 823501880 /nfs/dbraw/zinc/50/18/80/823501880.db2.gz LZEOERLVFDXRHW-UHFFFAOYSA-N 1 0 394.515 4.168 20 0 GIADRO C[C@](O)(CC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1 ZINC000189820000 823501883 /nfs/dbraw/zinc/50/18/83/823501883.db2.gz PFDQSUVDAMDTNN-FQEVSTJZSA-N 1 0 383.473 4.106 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)C1(Cc2ccccc2Cl)CC1 ZINC000189822358 823502270 /nfs/dbraw/zinc/50/22/70/823502270.db2.gz NKPAIGQXXYMYPN-UWJYYQICSA-N 1 0 397.950 4.085 20 0 GIADRO COc1cccc([C@H](C)CC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000177618326 823502369 /nfs/dbraw/zinc/50/23/69/823502369.db2.gz VDSQQGGEMHONOS-LJQANCHMSA-N 1 0 380.532 4.217 20 0 GIADRO C[C@@H]([NH2+]C[C@H](O)c1ccccc1C(F)(F)F)c1cccc(-n2ccnc2)c1 ZINC000189900523 823511753 /nfs/dbraw/zinc/51/17/53/823511753.db2.gz LXSABULPEQLSTM-KUHUBIRLSA-N 1 0 375.394 4.275 20 0 GIADRO C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000189859270 823507200 /nfs/dbraw/zinc/50/72/00/823507200.db2.gz YTEPWZIBRCZFEF-UHFFFAOYSA-N 1 0 390.483 4.203 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)c1ccccc1C(F)(F)F)c1cccc(-n2ccnc2)c1 ZINC000189900543 823511834 /nfs/dbraw/zinc/51/18/34/823511834.db2.gz LXSABULPEQLSTM-IFXJQAMLSA-N 1 0 375.394 4.275 20 0 GIADRO CC[NH2+]Cc1cccc(NC(=O)CCSc2ccc3c(c2)OCCCO3)c1 ZINC000123422313 823507557 /nfs/dbraw/zinc/50/75/57/823507557.db2.gz YYYKNFOAPGGFFJ-UHFFFAOYSA-N 1 0 386.517 4.078 20 0 GIADRO O=C(Cc1cccc(C(F)(F)F)c1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000031565996 820827217 /nfs/dbraw/zinc/82/72/17/820827217.db2.gz YGGNLDYTGQTUEC-LJQANCHMSA-N 1 0 376.422 4.029 20 0 GIADRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)Nc2c(F)cc(Cl)cc2F)[C@H](C(F)(F)F)C1 ZINC000410672181 823508373 /nfs/dbraw/zinc/50/83/73/823508373.db2.gz SOKCEMHYLXGDSK-NXEZZACHSA-N 1 0 384.776 4.466 20 0 GIADRO CC(C)C(=O)Nc1cccc(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000031661907 820840321 /nfs/dbraw/zinc/84/03/21/820840321.db2.gz WBLOGUMPHFFZFZ-UHFFFAOYSA-N 1 0 394.519 4.067 20 0 GIADRO CC(C)(CNC(=O)c1c[nH]cc1-c1ccc(F)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000460776433 823509330 /nfs/dbraw/zinc/50/93/30/823509330.db2.gz CMBFKNRJZXIHIB-UHFFFAOYSA-N 1 0 391.490 4.388 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1cccc(C(F)(F)F)c1 ZINC000060168034 823510967 /nfs/dbraw/zinc/51/09/67/823510967.db2.gz LYMRVHZUVYNQFU-UHFFFAOYSA-N 1 0 386.364 4.188 20 0 GIADRO CC[NH+](CC)CCOc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1 ZINC000031941143 820877085 /nfs/dbraw/zinc/87/70/85/820877085.db2.gz GOTOZUFJPKYRCD-UHFFFAOYSA-N 1 0 376.884 4.078 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(C)nc2c1cnn2C(C)C)c1ccsc1 ZINC000031985158 820884143 /nfs/dbraw/zinc/88/41/43/820884143.db2.gz IKHQXLSWNOGNJG-IBGZPJMESA-N 1 0 399.564 4.195 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)COc1cccc2ccccc21)c1ccsc1 ZINC000031988932 820886051 /nfs/dbraw/zinc/88/60/51/820886051.db2.gz TZZMNPAQXIREAI-FQEVSTJZSA-N 1 0 382.529 4.479 20 0 GIADRO Cn1cc(CCC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)c2ccccc21 ZINC000123472635 823512635 /nfs/dbraw/zinc/51/26/35/823512635.db2.gz VDELXAHSODUEEY-UHFFFAOYSA-N 1 0 393.506 4.031 20 0 GIADRO Cc1cccc(NC(=O)[C@H](C)Nc2ccc(CC[NH+]3CCSCC3)cc2)c1 ZINC000060219589 823512624 /nfs/dbraw/zinc/51/26/24/823512624.db2.gz CJHIPYUDOBYXPH-SFHVURJKSA-N 1 0 383.561 4.025 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)CSc1ccc2ccccc2c1)c1cccc(F)c1 ZINC000032216760 820903525 /nfs/dbraw/zinc/90/35/25/820903525.db2.gz HDQCVGCMOFUWOE-NRFANRHFSA-N 1 0 382.504 4.490 20 0 GIADRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccccc1C(=O)c1ccccc1 ZINC000032217554 820903691 /nfs/dbraw/zinc/90/36/91/820903691.db2.gz NRJONODYKCTXRK-XMMPIXPASA-N 1 0 398.506 4.485 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)CCOc3c(C)cccc3C)c(C)c2)CC1 ZINC000032235518 820903701 /nfs/dbraw/zinc/90/37/01/820903701.db2.gz IWSBIGJJZOYBBE-UHFFFAOYSA-N 1 0 395.547 4.161 20 0 GIADRO Cc1cc(-c2cc(C(=O)NCC[NH+](C(C)C)C(C)C)c3c(C)noc3n2)c(C)o1 ZINC000032244686 820905027 /nfs/dbraw/zinc/90/50/27/820905027.db2.gz PXTSYVCYFZWHNV-UHFFFAOYSA-N 1 0 398.507 4.257 20 0 GIADRO CCc1ccc([C@H](CNC(=O)c2c[nH]cc2-c2ccc(F)cc2)[NH+](C)C)cc1 ZINC000460793802 823514030 /nfs/dbraw/zinc/51/40/30/823514030.db2.gz VWSUYBKLHUZQQB-QFIPXVFZSA-N 1 0 379.479 4.416 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1Cl ZINC000032317265 820913931 /nfs/dbraw/zinc/91/39/31/820913931.db2.gz AHPMQBSRAGZDQM-HXUWFJFHSA-N 1 0 399.922 4.038 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(-c2ccco2)on1)c1ccccc1Cl ZINC000032317857 820913960 /nfs/dbraw/zinc/91/39/60/820913960.db2.gz MFMUYKQSXBGQIH-KRWDZBQOSA-N 1 0 387.867 4.401 20 0 GIADRO CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000177711113 823515570 /nfs/dbraw/zinc/51/55/70/823515570.db2.gz JBUQCJGVRJSVPO-PGRDOPGGSA-N 1 0 394.563 4.374 20 0 GIADRO CCCN(CCC[NH+](C)C)C(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000189936113 823515649 /nfs/dbraw/zinc/51/56/49/823515649.db2.gz VSNXSMIGXVKFCJ-FQEVSTJZSA-N 1 0 388.943 4.198 20 0 GIADRO Cc1sc(-c2ccco2)nc1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000032448476 820946773 /nfs/dbraw/zinc/94/67/73/820946773.db2.gz UWKUEYWPVUWHLB-UHFFFAOYSA-N 1 0 381.501 4.237 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000177718180 823516356 /nfs/dbraw/zinc/51/63/56/823516356.db2.gz LKIVIQZOYZVYEQ-QRTARXTBSA-N 1 0 384.549 4.104 20 0 GIADRO O=C(Cc1csc(-c2cccs2)n1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000032463681 820949888 /nfs/dbraw/zinc/94/98/88/820949888.db2.gz HSPLMQHXMOLAJW-UHFFFAOYSA-N 1 0 397.569 4.326 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)CCCc1ncc(-c2ccccc2)o1)c1ccccc1 ZINC000032480449 820956315 /nfs/dbraw/zinc/95/63/15/820956315.db2.gz RYPVBLNAMICQMX-HXUWFJFHSA-N 1 0 377.488 4.083 20 0 GIADRO CC(=O)Nc1ccc2c(C[N@@H+](C)[C@@H]3CCCc4ccccc43)cc(=O)oc2c1 ZINC000032512302 820963708 /nfs/dbraw/zinc/96/37/08/820963708.db2.gz RWVKOBAPSRCZRX-OAQYLSRUSA-N 1 0 376.456 4.261 20 0 GIADRO C[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000460806360 823517542 /nfs/dbraw/zinc/51/75/42/823517542.db2.gz PAZVTLFHXBUFKR-RTBURBONSA-N 1 0 377.315 4.475 20 0 GIADRO OCC[C@H]1CCC[C@H]1[NH2+]Cc1csc(-c2cccc(Br)c2)n1 ZINC000189963771 823518558 /nfs/dbraw/zinc/51/85/58/823518558.db2.gz JROLIAVAVXFGPH-MLGOLLRUSA-N 1 0 381.339 4.213 20 0 GIADRO O=C(CCSc1ccnc2cc(Cl)ccc21)NC1CC[NH+](C2CC2)CC1 ZINC000177740828 823518950 /nfs/dbraw/zinc/51/89/50/823518950.db2.gz CXZJCNOQTVYMMU-UHFFFAOYSA-N 1 0 389.952 4.113 20 0 GIADRO COc1cc(F)c([C@@H](C)[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)cc1OC ZINC000177746641 823519823 /nfs/dbraw/zinc/51/98/23/823519823.db2.gz KPEZRESWOHOYHX-LSDHHAIUSA-N 1 0 386.467 4.382 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)cc1)c1cccc(N2CCOC2=O)c1 ZINC000177749021 823520236 /nfs/dbraw/zinc/52/02/36/823520236.db2.gz WKMOOHHWZQFAHI-DLBZAZTESA-N 1 0 376.460 4.241 20 0 GIADRO CCCOc1c(Cl)cc(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)cc1OC ZINC000032730913 820998591 /nfs/dbraw/zinc/99/85/91/820998591.db2.gz YXRJPLRFTLZXJI-LSDHHAIUSA-N 1 0 382.932 4.130 20 0 GIADRO Cc1cc(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)c(C)n1Cc1ccccc1 ZINC000032729921 820998878 /nfs/dbraw/zinc/99/88/78/820998878.db2.gz PLPKWQCONHRYQR-HSZRJFAPSA-N 1 0 393.506 4.325 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)C(c1ccccc1)c1ccccc1)c1cccc(F)c1 ZINC000032732541 820999793 /nfs/dbraw/zinc/99/97/93/820999793.db2.gz JUUNDHKBCLDRGT-JOCHJYFZSA-N 1 0 376.475 4.377 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)[C@H](C)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000460816848 823520474 /nfs/dbraw/zinc/52/04/74/823520474.db2.gz XJVCCTDZPSRWHX-QRWLVFNGSA-N 1 0 388.458 4.030 20 0 GIADRO C[C@@H](CNC(=O)c1ccccc1SCc1cscn1)[N@@H+]1CCCC[C@H]1C ZINC000032737160 821000943 /nfs/dbraw/zinc/00/09/43/821000943.db2.gz LGUZIVZVOXXOLR-CVEARBPZSA-N 1 0 389.590 4.428 20 0 GIADRO CC(C)c1ccc(-c2noc(CCC(=O)NC[C@H](C)[N@@H+]3CCCC[C@@H]3C)n2)cc1 ZINC000032737037 821001267 /nfs/dbraw/zinc/00/12/67/821001267.db2.gz RNBCWKMHYIHXMP-ROUUACIJSA-N 1 0 398.551 4.172 20 0 GIADRO COCC[C@@H](Cc1cccc(F)c1)[NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000177751296 823520632 /nfs/dbraw/zinc/52/06/32/823520632.db2.gz ZLFLCOKLTPDVRW-UZLBHIALSA-N 1 0 386.467 4.081 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@@H]1CCO[C@H]1c1ccccc1 ZINC000189978967 823520867 /nfs/dbraw/zinc/52/08/67/823520867.db2.gz MBFQWDXKZBOMNG-GMAHTHKFSA-N 1 0 395.547 4.105 20 0 GIADRO C[C@H](Oc1cccc(Cl)c1)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000032761558 821004584 /nfs/dbraw/zinc/00/45/84/821004584.db2.gz ZJCWOOCSQVTJMY-WMLDXEAASA-N 1 0 378.925 4.122 20 0 GIADRO COc1ccc(SCCC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000032762228 821004730 /nfs/dbraw/zinc/00/47/30/821004730.db2.gz HVMJFEXJNHQBSB-SFHVURJKSA-N 1 0 390.574 4.192 20 0 GIADRO O=C(/C=C/c1ccc(Br)o1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000032763375 821005268 /nfs/dbraw/zinc/00/52/68/821005268.db2.gz QMLUUVVFXNTRJJ-IZPAUZPXSA-N 1 0 395.322 4.070 20 0 GIADRO O=C(c1sc(-c2ccco2)nc1-c1ccccc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000060374114 823521095 /nfs/dbraw/zinc/52/10/95/823521095.db2.gz XBNRHLYGENGYMR-KRWDZBQOSA-N 1 0 393.512 4.380 20 0 GIADRO CNC(=O)c1cccc(CC[NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)c1 ZINC000123558150 823521188 /nfs/dbraw/zinc/52/11/88/823521188.db2.gz LZYUYNKSLOMXOJ-UHFFFAOYSA-N 1 0 391.496 4.248 20 0 GIADRO COc1ccccc1-c1cccc(NC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)c1 ZINC000123584496 823523896 /nfs/dbraw/zinc/52/38/96/823523896.db2.gz ZWNJXQZCYHQJOB-SFHVURJKSA-N 1 0 381.520 4.462 20 0 GIADRO O=C(CCOc1cccc(Cl)c1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000032800517 821009157 /nfs/dbraw/zinc/00/91/57/821009157.db2.gz LUDRSOHUOXYZDI-UHFFFAOYSA-N 1 0 386.923 4.411 20 0 GIADRO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)C/C=C/c1ccc(F)cc1 ZINC000189983431 823521355 /nfs/dbraw/zinc/52/13/55/823521355.db2.gz QCMKHXYMSWQTSX-YXMMZVCTSA-N 1 0 388.508 4.072 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)[C@@H](C)c1nc2ccccc2s1 ZINC000177774320 823524024 /nfs/dbraw/zinc/52/40/24/823524024.db2.gz HLELXBHGOAPJFS-HZPDHXFCSA-N 1 0 377.517 4.218 20 0 GIADRO CCOc1ccc(-c2nc(C(=O)NCc3cccc(C[NH+](C)C)c3)cs2)cc1 ZINC000033089670 821031943 /nfs/dbraw/zinc/03/19/43/821031943.db2.gz MLZQLWXJTGKUBC-UHFFFAOYSA-N 1 0 395.528 4.200 20 0 GIADRO Cc1cccc(-c2nn(Cc3ccccc3)cc2C[NH2+]CC2(CCO)CC2)c1 ZINC000189995143 823523224 /nfs/dbraw/zinc/52/32/24/823523224.db2.gz CHXGXPSBDIPXTQ-UHFFFAOYSA-N 1 0 375.516 4.159 20 0 GIADRO CCOCCC[N@@H+]1CC[C@@H](NCc2csc(Nc3ccccc3)n2)[C@H](C)C1 ZINC000189994126 823523251 /nfs/dbraw/zinc/52/32/51/823523251.db2.gz AQPMDNFKTAPXLA-YLJYHZDGSA-N 1 0 388.581 4.113 20 0 GIADRO C[C@@H](CC(=O)Nc1cc(C[NH+](C)C)ccn1)c1ccc(Br)cc1 ZINC000123627864 823527488 /nfs/dbraw/zinc/52/74/88/823527488.db2.gz RSUKMIQXZXWZDB-ZDUSSCGKSA-N 1 0 376.298 4.038 20 0 GIADRO CC[C@@H](NC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1c(C)noc1C ZINC000123631223 823527620 /nfs/dbraw/zinc/52/76/20/823527620.db2.gz VBRDOUZSKJBHPS-VQTJNVASSA-N 1 0 384.524 4.049 20 0 GIADRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+]CC(=O)NCc1ccco1 ZINC000177801127 823527667 /nfs/dbraw/zinc/52/76/67/823527667.db2.gz FGXRZGYLUXZODG-GFCCVEGCSA-N 1 0 389.908 4.332 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1cc(-c2ccccc2)on1 ZINC000033231754 821052166 /nfs/dbraw/zinc/05/21/66/821052166.db2.gz YTGJZSHWNNYQHB-UHFFFAOYSA-N 1 0 375.472 4.258 20 0 GIADRO Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[NH2+]CCCOC[C@H]1CCOC1 ZINC000123632260 823527907 /nfs/dbraw/zinc/52/79/07/823527907.db2.gz VUZIEXBSOCGNBM-OAHLLOKOSA-N 1 0 398.334 4.020 20 0 GIADRO O=C(Nc1ccccc1)c1ccc(C[N@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)cc1 ZINC000123634967 823528104 /nfs/dbraw/zinc/52/81/04/823528104.db2.gz QFHGVCVJWLBFMB-FGZHOGPDSA-N 1 0 396.556 4.425 20 0 GIADRO O=C(CCCOc1ccccc1)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000036099606 821068387 /nfs/dbraw/zinc/06/83/87/821068387.db2.gz WADONYBZNMFUTP-NRFANRHFSA-N 1 0 386.923 4.452 20 0 GIADRO C[C@@H]1[C@H](C(=O)NCc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)C1(F)F ZINC000460853311 823529033 /nfs/dbraw/zinc/52/90/33/823529033.db2.gz GXCUNZNTVATYIS-IIBYNOLFSA-N 1 0 384.470 4.467 20 0 GIADRO O=C(Cc1c[nH]c2ccccc12)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000036350617 821071539 /nfs/dbraw/zinc/07/15/39/821071539.db2.gz TXPPGZJLTZIOQS-OAQYLSRUSA-N 1 0 381.907 4.317 20 0 GIADRO COc1cc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)ccc1OC(C)C ZINC000036684892 821075880 /nfs/dbraw/zinc/07/58/80/821075880.db2.gz QQTUUVXQQOHTEB-KRWDZBQOSA-N 1 0 388.533 4.111 20 0 GIADRO C[NH+]1CCN(c2ccccc2NC(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000036729420 821079797 /nfs/dbraw/zinc/07/97/97/821079797.db2.gz MIUFMEKVWJKGOO-UHFFFAOYSA-N 1 0 392.330 4.317 20 0 GIADRO COc1ccccc1CCC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000060414206 823524956 /nfs/dbraw/zinc/52/49/56/823524956.db2.gz LQPQMUCHZQHSFY-LJQANCHMSA-N 1 0 380.532 4.176 20 0 GIADRO FC(F)(F)Oc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(Cn3cncn3)cc1)CC2 ZINC000177778113 823525025 /nfs/dbraw/zinc/52/50/25/823525025.db2.gz JMCFOPHGVPFQBY-IBGZPJMESA-N 1 0 388.393 4.002 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)c1ccccc1C(F)(F)F)c1ccc(-n2cccn2)cc1 ZINC000177779628 823525161 /nfs/dbraw/zinc/52/51/61/823525161.db2.gz AXKCQWVLOQDVQJ-LIRRHRJNSA-N 1 0 375.394 4.275 20 0 GIADRO COCCc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000190009780 823525371 /nfs/dbraw/zinc/52/53/71/823525371.db2.gz ACJAEOTYBOPUHO-LJQANCHMSA-N 1 0 380.532 4.157 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2ccc(Br)o2)cc1 ZINC000060425950 823525903 /nfs/dbraw/zinc/52/59/03/823525903.db2.gz JVVQFHNBWUHEPH-CQSZACIVSA-N 1 0 391.309 4.347 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CCOc2cccc(F)c2)cc1 ZINC000060426068 823525917 /nfs/dbraw/zinc/52/59/17/823525917.db2.gz KJLVLFLREFZCAR-GOSISDBHSA-N 1 0 384.495 4.285 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C2=Cc3ccccc3OC2)cc1 ZINC000060425982 823525972 /nfs/dbraw/zinc/52/59/72/823525972.db2.gz VMILFZAOTHDXNV-GOSISDBHSA-N 1 0 376.500 4.153 20 0 GIADRO COc1cc2c(cc1OC)C[N@H+](Cc1ccccc1NCc1cccn1C)CC2 ZINC000123614365 823525991 /nfs/dbraw/zinc/52/59/91/823525991.db2.gz PKTHJACAJWGXQL-UHFFFAOYSA-N 1 0 391.515 4.213 20 0 GIADRO O=C(CCC1CCCC1)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000038907141 821100908 /nfs/dbraw/zinc/10/09/08/821100908.db2.gz QBOKDADYOFKLJQ-UHFFFAOYSA-N 1 0 392.547 4.313 20 0 GIADRO O=C(Nc1ccccc1)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000038907240 821101034 /nfs/dbraw/zinc/10/10/34/821101034.db2.gz IRZVKUSJHZSCLB-UHFFFAOYSA-N 1 0 387.487 4.048 20 0 GIADRO Cc1nc(Cl)sc1C(=O)Nc1cc(C[NH+]2CCSCC2)ccc1C ZINC000177790634 823526466 /nfs/dbraw/zinc/52/64/66/823526466.db2.gz QVIPEHWEXRCEOC-UHFFFAOYSA-N 1 0 381.954 4.214 20 0 GIADRO O=C(/C=C/c1ccco1)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000040046958 821126915 /nfs/dbraw/zinc/12/69/15/821126915.db2.gz HEYWSVDENDJBSN-CMDGGOBGSA-N 1 0 378.394 4.046 20 0 GIADRO Cc1cc(C)c(Br)c(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)c1 ZINC000460861335 823530948 /nfs/dbraw/zinc/53/09/48/823530948.db2.gz SRMCTSYRYDFFFU-QGZVFWFLSA-N 1 0 393.300 4.238 20 0 GIADRO Cc1ccc(-c2nn(Cc3ccccc3)cc2C[N@@H+]2CC[C@H](O)[C@H](C)C2)cc1 ZINC000190055658 823531327 /nfs/dbraw/zinc/53/13/27/823531327.db2.gz QLESLTXAMPQDCF-XXBNENTESA-N 1 0 375.516 4.110 20 0 GIADRO CC[N@@H+](Cc1ccc(OC)c(OC)c1)C[C@H](O)c1ccccc1C(F)(F)F ZINC000060466837 823531420 /nfs/dbraw/zinc/53/14/20/823531420.db2.gz ILPMOMTVIUQYCE-KRWDZBQOSA-N 1 0 383.410 4.278 20 0 GIADRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCc1nc(-c2cc3ccccc3o2)cs1 ZINC000460882344 823535558 /nfs/dbraw/zinc/53/55/58/823535558.db2.gz MDUURVAEXVINJU-CQSZACIVSA-N 1 0 386.521 4.084 20 0 GIADRO COc1cc(CC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)ccc1C ZINC000060475160 823532161 /nfs/dbraw/zinc/53/21/61/823532161.db2.gz GMINEDCHJSGEII-GOSISDBHSA-N 1 0 380.532 4.094 20 0 GIADRO CCOc1ccc(C(=O)N2CCC([NH2+][C@H](C)c3ccccc3OC)CC2)cc1 ZINC000177829050 823532415 /nfs/dbraw/zinc/53/24/15/823532415.db2.gz CQOHFKGRXOYIJH-QGZVFWFLSA-N 1 0 382.504 4.049 20 0 GIADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1c[nH]nc1-c1ccc(Cl)s1 ZINC000190063418 823532459 /nfs/dbraw/zinc/53/24/59/823532459.db2.gz BRYNPNPFPZBQDC-UHFFFAOYSA-N 1 0 392.956 4.319 20 0 GIADRO CCOc1ccc(C(=O)N2CCC([NH2+][C@H](C)[C@H](C)c3ccccc3)CC2)cc1 ZINC000177828885 823532505 /nfs/dbraw/zinc/53/25/05/823532505.db2.gz WKDKZJQHEIXQCO-RBUKOAKNSA-N 1 0 380.532 4.472 20 0 GIADRO Cc1nc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c(-c2ccccc2)s1 ZINC000040327075 821158312 /nfs/dbraw/zinc/15/83/12/821158312.db2.gz FELVMPWLOWXKOG-KRWDZBQOSA-N 1 0 381.501 4.278 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)CCc1ccc(C)cc1)[NH+]1CCCCC1 ZINC000040654315 821163272 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GIADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000411495556 823581297 /nfs/dbraw/zinc/58/12/97/823581297.db2.gz JUWMBIBSJPPVPL-KRWDZBQOSA-N 1 0 387.376 4.169 20 0 GIADRO Cc1c(Cl)cccc1NC(=O)C[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000177851460 823536389 /nfs/dbraw/zinc/53/63/89/823536389.db2.gz CQPLEYLLQBLRCY-HNNXBMFYSA-N 1 0 385.895 4.065 20 0 GIADRO Cc1csc(N2CCC([NH2+]Cc3cccc(NC(=O)c4ccco4)c3)CC2)n1 ZINC000123746077 823536783 /nfs/dbraw/zinc/53/67/83/823536783.db2.gz CBEPLDWSKUBAQH-UHFFFAOYSA-N 1 0 396.516 4.055 20 0 GIADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)CCc1c[nH]c2ccccc12 ZINC000123745564 823536813 /nfs/dbraw/zinc/53/68/13/823536813.db2.gz BVKNZBOVWLOVFD-OAQYLSRUSA-N 1 0 390.531 4.009 20 0 GIADRO C[NH+]1CCN(Cc2ccc(NC(=O)c3cc(F)c(Cl)cc3Cl)cc2)CC1 ZINC000041577119 821213213 /nfs/dbraw/zinc/21/32/13/821213213.db2.gz ZHPZFEDGZBTHHT-UHFFFAOYSA-N 1 0 396.293 4.132 20 0 GIADRO Cc1c(C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)oc2c1C(=O)CCC2 ZINC000041689998 821217209 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CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(OC(F)F)c(Cl)c2)[C@H](C)C1 ZINC000177861773 823537965 /nfs/dbraw/zinc/53/79/65/823537965.db2.gz AMAGVEDNQLQUEW-BXUZGUMPSA-N 1 0 375.847 4.135 20 0 GIADRO Cc1c(Br)cccc1CC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000190108436 823538113 /nfs/dbraw/zinc/53/81/13/823538113.db2.gz XBHHYQJOCVOGNG-WBVHZDCISA-N 1 0 393.369 4.069 20 0 GIADRO O=C(NCCC[NH+]1CCCC1)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000041836127 821235354 /nfs/dbraw/zinc/23/53/54/821235354.db2.gz LUUXTRKEMYGVAW-UHFFFAOYSA-N 1 0 375.472 4.224 20 0 GIADRO CC1CC[NH+](CCCNC(=O)CCc2ncc(-c3ccccc3Cl)o2)CC1 ZINC000041836825 821235604 /nfs/dbraw/zinc/23/56/04/821235604.db2.gz QNHWSISKHUNJFG-UHFFFAOYSA-N 1 0 389.927 4.166 20 0 GIADRO O=C(NCC[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1)c1ccccc1F ZINC000060527243 823538570 /nfs/dbraw/zinc/53/85/70/823538570.db2.gz XCOWBYWITAGZQZ-UHFFFAOYSA-N 1 0 395.459 4.215 20 0 GIADRO CC(C)c1ccc(NC(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)c(C(C)C)c1 ZINC000190112596 823538730 /nfs/dbraw/zinc/53/87/30/823538730.db2.gz MEPSYLDYLYKPNB-KRWDZBQOSA-N 1 0 375.557 4.242 20 0 GIADRO Cc1cccc(-c2nnc(-c3ccc(C(=O)NCCC[N@@H+](C)C(C)C)cc3)o2)c1 ZINC000041929024 821245786 /nfs/dbraw/zinc/24/57/86/821245786.db2.gz GNVHPGYZRWLOOR-UHFFFAOYSA-N 1 0 392.503 4.172 20 0 GIADRO Cc1noc(C)c1CSc1ccccc1C(=O)NCCC[N@@H+](C)C(C)C ZINC000041927292 821245829 /nfs/dbraw/zinc/24/58/29/821245829.db2.gz SOJPWWHZPKKVBO-UHFFFAOYSA-N 1 0 375.538 4.044 20 0 GIADRO COc1ccc([C@H]([NH2+]CCc2ccccc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000123766676 823538888 /nfs/dbraw/zinc/53/88/88/823538888.db2.gz GTJAMYQZZINGCI-QHCPKHFHSA-N 1 0 395.524 4.020 20 0 GIADRO COc1cc(NC(=O)C[NH2+][C@H](CC(C)C)c2ccccc2)cc(OC)c1OC ZINC000123766636 823538892 /nfs/dbraw/zinc/53/88/92/823538892.db2.gz ATXFUTSEYHEKKC-GOSISDBHSA-N 1 0 386.492 4.028 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CCCc2cn(-c3ccccc3)nc2C)c1 ZINC000177869715 823538936 /nfs/dbraw/zinc/53/89/36/823538936.db2.gz ZXXKFLRPFMVUAB-QGZVFWFLSA-N 1 0 376.504 4.423 20 0 GIADRO COc1cccc([C@@H](CNC(=O)c2c(C)[nH]c3ccccc32)[NH+]2CCCC2)c1 ZINC000041946475 821248487 /nfs/dbraw/zinc/24/84/87/821248487.db2.gz LQNQHRSBZJRODI-OAQYLSRUSA-N 1 0 377.488 4.052 20 0 GIADRO C[C@@H](Cc1ccc(Cl)cc1)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000123770867 823539242 /nfs/dbraw/zinc/53/92/42/823539242.db2.gz UCDCDOIUZOAAIS-HNNXBMFYSA-N 1 0 387.911 4.048 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)Nc1ccc(OC(F)F)cc1 ZINC000123769300 823539292 /nfs/dbraw/zinc/53/92/92/823539292.db2.gz JGBZWGMJONDKRV-INIZCTEOSA-N 1 0 379.407 4.230 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]CC(=O)NCc1ccccc1 ZINC000177873361 823539309 /nfs/dbraw/zinc/53/93/09/823539309.db2.gz MMHIJBXUPOUTKW-CQSZACIVSA-N 1 0 383.492 4.225 20 0 GIADRO CCOc1cccc2c1OCC(C(=O)NCc1ccccc1C[N@H+](C)C(C)C)=C2 ZINC000060549609 823541270 /nfs/dbraw/zinc/54/12/70/823541270.db2.gz MPBILAVGBAWVOY-UHFFFAOYSA-N 1 0 394.515 4.018 20 0 GIADRO C[C@@H]1CN(C(=O)Nc2ccc(SC3CCCC3)cc2)CC[N@@H+]1CC(C)(C)O ZINC000190120296 823539859 /nfs/dbraw/zinc/53/98/59/823539859.db2.gz UFUQPQPLECWKAR-MRXNPFEDSA-N 1 0 391.581 4.030 20 0 GIADRO COc1cc(C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)ccc1OC(C)C ZINC000042127392 821270858 /nfs/dbraw/zinc/27/08/58/821270858.db2.gz JAAQANXRQOLSLJ-UHFFFAOYSA-N 1 0 396.531 4.185 20 0 GIADRO COc1ccc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccs2)cn1 ZINC000042202905 821283445 /nfs/dbraw/zinc/28/34/45/821283445.db2.gz UPYQFCMVUOSXSX-UHFFFAOYSA-N 1 0 376.485 4.294 20 0 GIADRO CN(C)c1ccc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)cn1 ZINC000042227622 821287815 /nfs/dbraw/zinc/28/78/15/821287815.db2.gz FIQSUTRBUFLEOA-UHFFFAOYSA-N 1 0 383.499 4.290 20 0 GIADRO COc1ccc([C@H]2CCCN2C(=O)C[N@H+](C)[C@@H](C)c2ccccc2)cc1OC ZINC000042473694 821308412 /nfs/dbraw/zinc/30/84/12/821308412.db2.gz KKFRAIRUBVKODT-FXAWDEMLSA-N 1 0 382.504 4.060 20 0 GIADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cccc(NC(=O)OC(C)(C)C)c1 ZINC000042537233 821309673 /nfs/dbraw/zinc/30/96/73/821309673.db2.gz BHGSHEXINONRRO-MRXNPFEDSA-N 1 0 377.529 4.274 20 0 GIADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccccc1OCc1c(C)noc1C ZINC000042538779 821309825 /nfs/dbraw/zinc/30/98/25/821309825.db2.gz SFJOUJAEIMWDEW-MRXNPFEDSA-N 1 0 387.524 4.111 20 0 GIADRO CC(C)C[C@@H](CNC(=O)CCc1ncc(-c2ccccc2Cl)o1)[NH+](C)C ZINC000042587578 821313191 /nfs/dbraw/zinc/31/31/91/821313191.db2.gz CDBPDAIEDTWTKA-HNNXBMFYSA-N 1 0 377.916 4.020 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1ccc(-n2nccc2C)cc1 ZINC000042699258 821325578 /nfs/dbraw/zinc/32/55/78/821325578.db2.gz WDESWPSBCDLKEH-UHFFFAOYSA-N 1 0 392.503 4.154 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)C1CCCCC1 ZINC000042723019 821326888 /nfs/dbraw/zinc/32/68/88/821326888.db2.gz SELIISOPXUDAFI-HXUWFJFHSA-N 1 0 397.563 4.038 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)c2ccc(OC(C)C)c(OC)c2)o1 ZINC000042722403 821326955 /nfs/dbraw/zinc/32/69/55/821326955.db2.gz UETWFCRGENQODW-INIZCTEOSA-N 1 0 388.508 4.408 20 0 GIADRO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000042742790 821329749 /nfs/dbraw/zinc/32/97/49/821329749.db2.gz PSSABIXLAJWDSX-ZDUSSCGKSA-N 1 0 375.900 4.108 20 0 GIADRO CCOc1cc2c(cc1/C=C/C(=O)Nc1ccccc1C[NH+](C)C)O[C@@H](C)C2 ZINC000042752577 821330612 /nfs/dbraw/zinc/33/06/12/821330612.db2.gz YYRLHNSKGUCDTJ-OFAQMXQXSA-N 1 0 380.488 4.122 20 0 GIADRO CC[C@H](C)c1ccccc1N1C[C@H](C(=O)Nc2ccccc2C[NH+](C)C)CC1=O ZINC000042752541 821330649 /nfs/dbraw/zinc/33/06/49/821330649.db2.gz ODQIKUICEBCOMQ-PKOBYXMFSA-N 1 0 393.531 4.253 20 0 GIADRO Cc1nc(CSc2ccc(C(=O)NC3CC[NH+](C(C)C)CC3)cc2)cs1 ZINC000042761650 821331656 /nfs/dbraw/zinc/33/16/56/821331656.db2.gz UZXUANBHWUODII-UHFFFAOYSA-N 1 0 389.590 4.346 20 0 GIADRO CC(C)Oc1ccccc1[C@H](C)NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000042929635 821345956 /nfs/dbraw/zinc/34/59/56/821345956.db2.gz ROZVYNGEIKQIAY-IBGZPJMESA-N 1 0 395.547 4.499 20 0 GIADRO O=C(CCCc1nnc(-c2ccccc2)o1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000043010684 821354302 /nfs/dbraw/zinc/35/43/02/821354302.db2.gz CHUAXHIGMULGNE-UHFFFAOYSA-N 1 0 390.487 4.294 20 0 GIADRO Cc1c(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)cnn1-c1ccccc1F ZINC000043086375 821359470 /nfs/dbraw/zinc/35/94/70/821359470.db2.gz IOYSKNGYGCAYEN-UHFFFAOYSA-N 1 0 394.494 4.090 20 0 GIADRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)Nc3ccccc3Cl)cc2)C[C@H](C)O1 ZINC000043146686 821368007 /nfs/dbraw/zinc/36/80/07/821368007.db2.gz MXMZZHSTLPPPDX-IYBDPMFKSA-N 1 0 387.911 4.271 20 0 GIADRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)Nc3ccccc3Cl)cc2)C[C@H](C)O1 ZINC000043146688 821368466 /nfs/dbraw/zinc/36/84/66/821368466.db2.gz MXMZZHSTLPPPDX-HOTGVXAUSA-N 1 0 387.911 4.271 20 0 GIADRO Cc1cccc(N2CC[NH+](CCCNC(=O)Nc3c(C)cc(C)cc3C)CC2)c1 ZINC000043150246 821369049 /nfs/dbraw/zinc/36/90/49/821369049.db2.gz YMEHJWNYXGGHMZ-UHFFFAOYSA-N 1 0 394.563 4.254 20 0 GIADRO CC(C)Oc1ccc([C@H](C)NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000043167134 821371984 /nfs/dbraw/zinc/37/19/84/821371984.db2.gz VCYDDWDRMFHGRI-PXNSSMCTSA-N 1 0 385.508 4.264 20 0 GIADRO COc1ccc([C@H](NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C(C)C)cc1 ZINC000043167498 821372242 /nfs/dbraw/zinc/37/22/42/821372242.db2.gz WONXXNFSTFHERD-PZJWPPBQSA-N 1 0 385.508 4.122 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N[C@H](c1ccco1)c1ccccc1 ZINC000043167501 821372389 /nfs/dbraw/zinc/37/23/89/821372389.db2.gz JEMILUKIQVKQLB-RXVVDRJESA-N 1 0 379.460 4.098 20 0 GIADRO CCN(Cc1ccccc1Cl)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000043168117 821372716 /nfs/dbraw/zinc/37/27/16/821372716.db2.gz RPIMMRZOJLUUIZ-SFHVURJKSA-N 1 0 375.900 4.302 20 0 GIADRO CC[C@@H]([NH2+][C@@H](C)c1nc(=O)c2c(C)c(C)sc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000180633711 821375838 /nfs/dbraw/zinc/37/58/38/821375838.db2.gz LYLJPWCJHIYERX-SWLSCSKDSA-N 1 0 399.516 4.175 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000043192803 821377189 /nfs/dbraw/zinc/37/71/89/821377189.db2.gz QKBLPHNANCUQKD-OAHLLOKOSA-N 1 0 383.370 4.137 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1SC)c1ccc2c(c1)OCCO2 ZINC000180638372 821377827 /nfs/dbraw/zinc/37/78/27/821377827.db2.gz OVWYNNUACLDYRL-HOCLYGCPSA-N 1 0 386.517 4.248 20 0 GIADRO COc1ccc(F)cc1[C@H](C)NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000043231430 821377980 /nfs/dbraw/zinc/37/79/80/821377980.db2.gz BZUFYZVKCMCKQW-YOEHRIQHSA-N 1 0 391.512 4.093 20 0 GIADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N1CCC[C@H]1c1cccs1 ZINC000043231954 821378366 /nfs/dbraw/zinc/37/83/66/821378366.db2.gz TXPYGWBMCYETQI-HOTGVXAUSA-N 1 0 375.563 4.493 20 0 GIADRO C[C@H](c1nc2ccccc2s1)N(C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000043239372 821379927 /nfs/dbraw/zinc/37/99/27/821379927.db2.gz IMDAYUILRYZLGJ-SJLPKXTDSA-N 1 0 394.544 4.273 20 0 GIADRO Cn1cc(C[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccco2)c(-c2cccs2)n1 ZINC000180650218 821382791 /nfs/dbraw/zinc/38/27/91/821382791.db2.gz DVKFPCKWDMAAAR-LJQANCHMSA-N 1 0 393.512 4.477 20 0 GIADRO COc1ccc(NC(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1OC ZINC000043267714 821383428 /nfs/dbraw/zinc/38/34/28/821383428.db2.gz CLBMZOXWDGGLCS-UHFFFAOYSA-N 1 0 383.492 4.011 20 0 GIADRO Cn1ccnc1[C@H](O)[C@@H]1CCC[N@H+](Cc2ccc(-c3cccc(F)c3)s2)C1 ZINC000180656487 821384578 /nfs/dbraw/zinc/38/45/78/821384578.db2.gz GGJOIDDDTACBJJ-OXQOHEQNSA-N 1 0 385.508 4.233 20 0 GIADRO Cn1ccnc1[C@@H](O)[C@H]1CCC[N@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC000180656011 821384719 /nfs/dbraw/zinc/38/47/19/821384719.db2.gz RQIMCTUJBIYDIE-JXFKEZNVSA-N 1 0 385.895 4.279 20 0 GIADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)Nc1cc(OC)ccc1OC ZINC000043280591 821386641 /nfs/dbraw/zinc/38/66/41/821386641.db2.gz LESJCSIEJLDQHS-UHFFFAOYSA-N 1 0 391.537 4.141 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(N(C)C)cc1 ZINC000043302892 821388262 /nfs/dbraw/zinc/38/82/62/821388262.db2.gz WGEZIYGEMLJIHL-UONOGXRCSA-N 1 0 379.426 4.449 20 0 GIADRO COC(=O)CC[C@@H]([NH2+]C1CCC2(CC1)C(=O)Nc1ccccc12)c1ccccc1 ZINC000180670005 821389129 /nfs/dbraw/zinc/38/91/29/821389129.db2.gz LMYJGSDWCPPHGW-RKRRMPDFSA-N 1 0 392.499 4.103 20 0 GIADRO COC(=O)CC[C@@H]([NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1)c1ccccc1 ZINC000180675416 821391349 /nfs/dbraw/zinc/39/13/49/821391349.db2.gz MBNADNLAQDADAB-HRAATJIYSA-N 1 0 395.503 4.316 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CCOc2ccccc2C(F)(F)F)cc1NC(C)=O ZINC000180678365 821392948 /nfs/dbraw/zinc/39/29/48/821392948.db2.gz NLMQQAZNNJSQMH-ZDUSSCGKSA-N 1 0 396.409 4.402 20 0 GIADRO CCOc1cccc([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)Cc2nc3ccccc3s2)c1 ZINC000180680344 821393580 /nfs/dbraw/zinc/39/35/80/821393580.db2.gz TZNZSSJQQHPESP-CVEARBPZSA-N 1 0 397.544 4.393 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1nc(-c2ccccc2)cs1)c1ccc(-n2cnnn2)cc1 ZINC000180685627 821394804 /nfs/dbraw/zinc/39/48/04/821394804.db2.gz QOHJJHMTGHSBQG-CABCVRRESA-N 1 0 376.489 4.198 20 0 GIADRO Cc1csc(Sc2ccc(NC(=O)N(CC[NH+](C)C)C(C)C)cc2)n1 ZINC000180686543 821395303 /nfs/dbraw/zinc/39/53/03/821395303.db2.gz ZVYQJTGSDVCMAG-UHFFFAOYSA-N 1 0 378.567 4.407 20 0 GIADRO CCOc1cccc([C@@H](C)[NH2+]CC(=O)Nc2cc(OC)c(Cl)cc2OC)c1 ZINC000180688109 821395700 /nfs/dbraw/zinc/39/57/00/821395700.db2.gz PEJAICUVYLSJGX-CYBMUJFWSA-N 1 0 392.883 4.045 20 0 GIADRO Cc1cccc(N2CC[NH+](CCCCNC(=O)Nc3c(C)cccc3C)CC2)c1 ZINC000043357832 821397298 /nfs/dbraw/zinc/39/72/98/821397298.db2.gz NEAXENLDXJWZOK-UHFFFAOYSA-N 1 0 394.563 4.336 20 0 GIADRO C[C@H](NC[C@@H](O)c1cccc(C(F)(F)F)c1)c1ncc(Br)s1 ZINC000180691502 821397389 /nfs/dbraw/zinc/39/73/89/821397389.db2.gz SPQAQSXAUBBYAH-GZMMTYOYSA-N 1 0 395.244 4.309 20 0 GIADRO CCc1ccc(Cl)c(CC)c1NC(=O)NCCCC[NH+]1CCN(CC)CC1 ZINC000043388835 821400362 /nfs/dbraw/zinc/40/03/62/821400362.db2.gz IGZYHXSTOIJVKZ-UHFFFAOYSA-N 1 0 394.991 4.004 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1cc(OC)c(OC)cc1C ZINC000043404850 821402968 /nfs/dbraw/zinc/40/29/68/821402968.db2.gz ZHIZWVWFRXUWFX-UHFFFAOYSA-N 1 0 385.508 4.176 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)C1 ZINC000180702749 821404328 /nfs/dbraw/zinc/40/43/28/821404328.db2.gz BDFIXWHMUVRDBS-KBXCAEBGSA-N 1 0 383.458 4.140 20 0 GIADRO O[C@@]1(C[NH2+][C@H](c2cccc(F)c2)c2cccc(Br)c2)CCSC1 ZINC000180703596 821405713 /nfs/dbraw/zinc/40/57/13/821405713.db2.gz SGVWNURRMGDTEX-ZWKOTPCHSA-N 1 0 396.325 4.135 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)Nc2ccc(Br)cc2Cl)c1 ZINC000043420363 821405803 /nfs/dbraw/zinc/40/58/03/821405803.db2.gz WLPSZOQRQMAMIK-UHFFFAOYSA-N 1 0 396.716 4.486 20 0 GIADRO COc1cc([C@@H](C)[NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)ccc1F ZINC000180706532 821407610 /nfs/dbraw/zinc/40/76/10/821407610.db2.gz QVUYTBQBUKMSPP-GFCCVEGCSA-N 1 0 375.831 4.431 20 0 GIADRO Cc1cc(Br)ccc1NC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000043449145 821408359 /nfs/dbraw/zinc/40/83/59/821408359.db2.gz NLUVXMFEWVBVHX-AWEZNQCLSA-N 1 0 382.327 4.243 20 0 GIADRO Cc1ccc([C@@H]([NH2+][C@@H]2CCCSC2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000180710031 821410121 /nfs/dbraw/zinc/41/01/21/821410121.db2.gz ZDNRPIYFIGJRPP-NQIIRXRSSA-N 1 0 389.586 4.282 20 0 GIADRO 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 821414946 /nfs/dbraw/zinc/41/49/46/821414946.db2.gz PIOFPFAYVXPLST-DOPJRALCSA-N 1 0 383.458 4.138 20 0 GIADRO CCOc1cccc([C@H](C)[NH2+]CC(=O)N[C@@H](c2nccs2)c2ccccc2)c1 ZINC000180718768 821416306 /nfs/dbraw/zinc/41/63/06/821416306.db2.gz GUDAZUJTBNMJPP-HRAATJIYSA-N 1 0 395.528 4.098 20 0 GIADRO COc1ccccc1CC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000043506081 821420075 /nfs/dbraw/zinc/42/00/75/821420075.db2.gz BAPYDVJCPVSRBW-UHFFFAOYSA-N 1 0 388.511 4.283 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)N2CCc3sccc3[C@@H]2C)CC1 ZINC000043574447 821428434 /nfs/dbraw/zinc/42/84/34/821428434.db2.gz BAQGVTGPKXVGKJ-INIZCTEOSA-N 1 0 384.549 4.041 20 0 GIADRO C[NH+]1CCC(NC(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)CC1 ZINC000043620933 821431544 /nfs/dbraw/zinc/43/15/44/821431544.db2.gz SNIFIUCGKXQFLQ-UHFFFAOYSA-N 1 0 399.347 4.256 20 0 GIADRO O=C(c1ccc(Oc2ccccc2)o1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000180749198 821432194 /nfs/dbraw/zinc/43/21/94/821432194.db2.gz BLSAKMXCPPVOJC-UHFFFAOYSA-N 1 0 398.503 4.037 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]CCCC(=O)N2Cc3ccccc3C2)cc1 ZINC000180753056 821434723 /nfs/dbraw/zinc/43/47/23/821434723.db2.gz ZVVZVTHLUTZIIW-GOSISDBHSA-N 1 0 388.515 4.154 20 0 GIADRO CC[NH+](CC)CCOc1ccc(NC(=O)Cc2cccc3cccnc32)cc1 ZINC000043687627 821441723 /nfs/dbraw/zinc/44/17/23/821441723.db2.gz YWYARKKYYPIWMA-UHFFFAOYSA-N 1 0 377.488 4.137 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)NCc2ccc(OC(F)F)cc2)c1 ZINC000043726166 821447605 /nfs/dbraw/zinc/44/76/05/821447605.db2.gz RXKLRWSENDWWQD-UHFFFAOYSA-N 1 0 391.462 4.129 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1cnn(-c2ccc(F)cc2)c1C)c1ccccc1 ZINC000043729282 821448258 /nfs/dbraw/zinc/44/82/58/821448258.db2.gz VWSDFQMLFYMGMH-JOCHJYFZSA-N 1 0 394.494 4.133 20 0 GIADRO CCc1cc(N2CCC[C@H]([NH2+][C@@H]3CC4(CCC4)Oc4ccccc43)C2)ncn1 ZINC000180779123 821452456 /nfs/dbraw/zinc/45/24/56/821452456.db2.gz RGMZEAQSUIFCFO-AZUAARDMSA-N 1 0 378.520 4.044 20 0 GIADRO CCOc1cc(C[N@H+](C)CCC(=O)Nc2ccccc2F)ccc1OC(F)F ZINC000043784799 821458769 /nfs/dbraw/zinc/45/87/69/821458769.db2.gz CZIQHIFUPBHHCN-UHFFFAOYSA-N 1 0 396.409 4.286 20 0 GIADRO Cc1ccc(C2=CCN(C(=O)Nc3ccccc3N3CC[NH+](C)CC3)CC2)cc1 ZINC000043800316 821460655 /nfs/dbraw/zinc/46/06/55/821460655.db2.gz OOUVYRXXVWQGIL-UHFFFAOYSA-N 1 0 390.531 4.068 20 0 GIADRO CCOC(=O)CC[C@@H]1CCC[N@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000180807813 821470261 /nfs/dbraw/zinc/47/02/61/821470261.db2.gz FORDTLGRILNJKL-IBGZPJMESA-N 1 0 382.504 4.216 20 0 GIADRO CCN1CC[C@@H](NC(=O)N(C)Cc2ccco2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180814513 821475147 /nfs/dbraw/zinc/47/51/47/821475147.db2.gz OYQJYSSADUMJSI-MSOLQXFVSA-N 1 0 379.863 4.049 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2SC(F)F)cc1OC ZINC000180840294 821489136 /nfs/dbraw/zinc/48/91/36/821489136.db2.gz ZCCWHTWXVAFSOD-GFCCVEGCSA-N 1 0 396.459 4.308 20 0 GIADRO C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000180848922 821493360 /nfs/dbraw/zinc/49/33/60/821493360.db2.gz NWRWCYRZNNSCRV-HNNXBMFYSA-N 1 0 398.507 4.284 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1cccc(Cl)c1Cl)c1ccc(-n2cccn2)cc1 ZINC000180849261 821493488 /nfs/dbraw/zinc/49/34/88/821493488.db2.gz CZOBUILKZQYLQQ-CYBMUJFWSA-N 1 0 389.286 4.468 20 0 GIADRO Cc1ccc(Sc2ncccc2C(=O)NC2CC[NH+](C3CC3)CC2)c(C)c1 ZINC000043964047 821496302 /nfs/dbraw/zinc/49/63/02/821496302.db2.gz DJYFMXNQUPMNAJ-UHFFFAOYSA-N 1 0 381.545 4.206 20 0 GIADRO C[C@@H](O)[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)c(Br)c2)C1 ZINC000180868134 821503760 /nfs/dbraw/zinc/50/37/60/821503760.db2.gz LIIDZJZTJCDRLX-CRAIPNDOSA-N 1 0 390.321 4.231 20 0 GIADRO Cc1c(Br)cccc1C[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000180875707 821507328 /nfs/dbraw/zinc/50/73/28/821507328.db2.gz OJSYLFMIBCAILF-OAHLLOKOSA-N 1 0 375.314 4.064 20 0 GIADRO COCCOc1c(Cl)cc(NC(=O)C2CC[NH+](C(C)C)CC2)cc1Cl ZINC000180875861 821507422 /nfs/dbraw/zinc/50/74/22/821507422.db2.gz PDFIQMGISMVQGN-UHFFFAOYSA-N 1 0 389.323 4.078 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1ccc(NC(C)=O)c(C)c1 ZINC000044048056 821511279 /nfs/dbraw/zinc/51/12/79/821511279.db2.gz LHJWFQMIEOMPAG-UHFFFAOYSA-N 1 0 382.508 4.117 20 0 GIADRO C[C@@H]([NH2+]CCCN1C(=O)c2ccccc2C1=O)c1ccc(-c2ccncc2)cc1 ZINC000180883932 821511868 /nfs/dbraw/zinc/51/18/68/821511868.db2.gz UBOBDPSYLIMFKE-QGZVFWFLSA-N 1 0 385.467 4.086 20 0 GIADRO Cc1ccc(CN(C(=O)C[NH2+][C@@H](C)c2ccc(-c3ccncc3)cc2)C2CC2)o1 ZINC000180885791 821513089 /nfs/dbraw/zinc/51/30/89/821513089.db2.gz UNSVDZIXJOKIDI-SFHVURJKSA-N 1 0 389.499 4.492 20 0 GIADRO CC[N@@H+]1CCC[C@H]1CNC(=S)Nc1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000044102540 821523307 /nfs/dbraw/zinc/52/33/07/821523307.db2.gz MFQPYFSKWZLHSF-IBGZPJMESA-N 1 0 397.548 4.101 20 0 GIADRO COC(=O)COc1cccc(C[NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)c1 ZINC000180901614 821525377 /nfs/dbraw/zinc/52/53/77/821525377.db2.gz CFOWOVHZSWYNOG-UHFFFAOYSA-N 1 0 397.421 4.396 20 0 GIADRO CC(C)n1nccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000180905517 821528398 /nfs/dbraw/zinc/52/83/98/821528398.db2.gz CYPRQKJNEWQNTC-SJORKVTESA-N 1 0 377.492 4.204 20 0 GIADRO COc1ccc(CCNC(=S)Nc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000044133068 821529989 /nfs/dbraw/zinc/52/99/89/821529989.db2.gz RRMRUCNKXGDECF-UHFFFAOYSA-N 1 0 383.561 4.210 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1nnc(C(C)(C)C)s1)c1ccc(-c2ccncc2)cc1 ZINC000180909047 821530051 /nfs/dbraw/zinc/53/00/51/821530051.db2.gz IEWDFMBABGJLQA-CQSZACIVSA-N 1 0 395.532 4.187 20 0 GIADRO COC(=O)COc1cccc(C[NH2+][C@@H]2CC3(CCCC3)Oc3ccccc32)c1 ZINC000180909267 821530705 /nfs/dbraw/zinc/53/07/05/821530705.db2.gz UWTMFYBWQVRGKF-HXUWFJFHSA-N 1 0 381.472 4.165 20 0 GIADRO COc1ccccc1[C@@H](C)NC(=O)C[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000180915868 821535560 /nfs/dbraw/zinc/53/55/60/821535560.db2.gz UTTMFLLAXDTBRW-ZWKOTPCHSA-N 1 0 389.499 4.285 20 0 GIADRO COc1ccc(CN2CC[C@H]([NH2+][C@H](C)c3ccc(SC)c(F)c3)C2=O)cc1 ZINC000180917472 821536899 /nfs/dbraw/zinc/53/68/99/821536899.db2.gz YEAPYDIPRBJOGJ-KUHUBIRLSA-N 1 0 388.508 4.008 20 0 GIADRO CC[NH+](CC)CCOc1ccc(CNC(=S)Nc2ccc(F)cc2F)cc1 ZINC000044158441 821538200 /nfs/dbraw/zinc/53/82/00/821538200.db2.gz DHJUHBQEEDHULB-UHFFFAOYSA-N 1 0 393.503 4.172 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1)C(=O)N1CCc2sccc2C1 ZINC000180930305 821543920 /nfs/dbraw/zinc/54/39/20/821543920.db2.gz LSRYZYLJLZVTKI-IRXDYDNUSA-N 1 0 391.540 4.434 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1)C(=O)N1CCc2sccc2C1 ZINC000180930343 821544195 /nfs/dbraw/zinc/54/41/95/821544195.db2.gz LSRYZYLJLZVTKI-DLBZAZTESA-N 1 0 391.540 4.434 20 0 GIADRO Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000180936279 821546632 /nfs/dbraw/zinc/54/66/32/821546632.db2.gz MGUGNDPTQPDJHE-UHFFFAOYSA-N 1 0 396.318 4.371 20 0 GIADRO S=C(Nc1ccc(Cl)c(Cl)c1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000044222042 821549721 /nfs/dbraw/zinc/54/97/21/821549721.db2.gz QBQPQJOHJQQIFK-UHFFFAOYSA-N 1 0 395.359 4.339 20 0 GIADRO Clc1ccccc1[C@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1ccc2c(c1)OCCO2 ZINC000180949250 821552443 /nfs/dbraw/zinc/55/24/43/821552443.db2.gz YSCNBDWEWMOVPF-OPAMFIHVSA-N 1 0 395.890 4.071 20 0 GIADRO Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000180959841 821557333 /nfs/dbraw/zinc/55/73/33/821557333.db2.gz IOTLDDAZTQNNAZ-RXVVDRJESA-N 1 0 395.551 4.099 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)c1 ZINC000044277130 821558324 /nfs/dbraw/zinc/55/83/24/821558324.db2.gz DIHOGTIYOHYYEC-QGZVFWFLSA-N 1 0 378.476 4.301 20 0 GIADRO C[C@@H](NC(=O)C[NH2+][C@H](C)c1ccc(OCC(F)(F)F)cc1)c1cccs1 ZINC000180968957 821562588 /nfs/dbraw/zinc/56/25/88/821562588.db2.gz YDVWIDMFBCTEBT-CHWSQXEVSA-N 1 0 386.439 4.217 20 0 GIADRO C[C@@H](NC(=O)C[NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1)c1cccs1 ZINC000180968938 821562680 /nfs/dbraw/zinc/56/26/80/821562680.db2.gz YDVWIDMFBCTEBT-QWHCGFSZSA-N 1 0 386.439 4.217 20 0 GIADRO COCCOc1ccc(NC(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000044300246 821562761 /nfs/dbraw/zinc/56/27/61/821562761.db2.gz XAPMMMGQXCOPTQ-UHFFFAOYSA-N 1 0 397.519 4.019 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H]1CCCOc2cc(F)ccc21 ZINC000180972041 821564861 /nfs/dbraw/zinc/56/48/61/821564861.db2.gz CXGHDZICXGHDDY-OAQYLSRUSA-N 1 0 399.510 4.333 20 0 GIADRO C[NH+](C)CCN(C(=O)c1csc(-c2ccc(F)c(F)c2)n1)C1CCCC1 ZINC000180974405 821566544 /nfs/dbraw/zinc/56/65/44/821566544.db2.gz BBSDUYICNVQXAT-UHFFFAOYSA-N 1 0 379.476 4.035 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000044330680 821570457 /nfs/dbraw/zinc/57/04/57/821570457.db2.gz IVBTYDVZJSWMQK-HOTGVXAUSA-N 1 0 383.458 4.136 20 0 GIADRO COC1(C[NH2+][C@H](c2ccccc2)c2ccc(OC(F)F)cc2)CCOCC1 ZINC000180980365 821571146 /nfs/dbraw/zinc/57/11/46/821571146.db2.gz PNCDNRUWVWCUOE-LJQANCHMSA-N 1 0 377.431 4.163 20 0 GIADRO Cc1cc([C@@H]([NH2+]CC2(CO)CCOCC2)c2ccccc2Cl)ccc1F ZINC000180984446 821574130 /nfs/dbraw/zinc/57/41/30/821574130.db2.gz QVCJDJYJODHSEG-HXUWFJFHSA-N 1 0 377.887 4.256 20 0 GIADRO CN(C)c1ccc(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c(C(F)(F)F)c1 ZINC000044369351 821579607 /nfs/dbraw/zinc/57/96/07/821579607.db2.gz QMAATPNHKWUOAD-UHFFFAOYSA-N 1 0 386.462 4.202 20 0 GIADRO CCc1cc(N2CCC([NH2+]Cc3ccc(Oc4ccccc4)o3)CC2)ncn1 ZINC000180993711 821581076 /nfs/dbraw/zinc/58/10/76/821581076.db2.gz DGWMLMXTBYIXLD-UHFFFAOYSA-N 1 0 378.476 4.183 20 0 GIADRO Cc1cc(N2CCC([NH2+]Cc3ccc(Oc4ccccc4)o3)CC2)nc(C)n1 ZINC000180995081 821581697 /nfs/dbraw/zinc/58/16/97/821581697.db2.gz SGWZUVOKFBKPQR-UHFFFAOYSA-N 1 0 378.476 4.237 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)CCc1ccc2[nH]ccc2c1 ZINC000180996795 821582874 /nfs/dbraw/zinc/58/28/74/821582874.db2.gz SYLNNBOLDHNMKE-LJQANCHMSA-N 1 0 375.516 4.224 20 0 GIADRO C[C@H]([NH2+]CCc1nc(-c2ccccn2)cs1)c1ccc(N2CCOC2=O)cc1 ZINC000181007955 821589693 /nfs/dbraw/zinc/58/96/93/821589693.db2.gz KXYORRXRUPXHMU-HNNXBMFYSA-N 1 0 394.500 4.055 20 0 GIADRO CN(C)S(=O)(=O)c1cccc(C[NH2+][C@H](c2cccc(F)c2)C2CCCC2)c1 ZINC000181011666 821592091 /nfs/dbraw/zinc/59/20/91/821592091.db2.gz LCCUQQJUBUNLIU-NRFANRHFSA-N 1 0 390.524 4.097 20 0 GIADRO CC(C)(CNC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)[N@@H+]1CCc2ccccc2C1 ZINC000044487256 821592467 /nfs/dbraw/zinc/59/24/67/821592467.db2.gz OPMFFPGXSBSNLO-AEFFLSMTSA-N 1 0 382.470 4.308 20 0 GIADRO C[C@H]([NH2+]CCc1nc(-c2ccccn2)cs1)c1cccc(N2CCOC2=O)c1 ZINC000181012214 821592936 /nfs/dbraw/zinc/59/29/36/821592936.db2.gz HMWVLEXWIMGZFF-HNNXBMFYSA-N 1 0 394.500 4.055 20 0 GIADRO CC(=O)Nc1ccc(CC[NH2+][C@@H](C)c2cc(Br)ccc2O)cc1 ZINC000181016114 821595340 /nfs/dbraw/zinc/59/53/40/821595340.db2.gz BWCOQTYZEAGVSC-LBPRGKRZSA-N 1 0 377.282 4.006 20 0 GIADRO CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]CCCc1nc2ccccc2n1C ZINC000181020967 821596925 /nfs/dbraw/zinc/59/69/25/821596925.db2.gz JOPHDJWEFWQHFG-GOSISDBHSA-N 1 0 381.520 4.134 20 0 GIADRO O=C(N[C@@H]1CCCOc2cc(Cl)ccc21)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000181028239 821601221 /nfs/dbraw/zinc/60/12/21/821601221.db2.gz LJDUEMNDNKXKAY-IEBWSBKVSA-N 1 0 391.943 4.214 20 0 GIADRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1cc(=O)[nH]c(C(C)C)c1 ZINC000181029102 821601303 /nfs/dbraw/zinc/60/13/03/821601303.db2.gz VRRHTXNFDHRDPW-UHFFFAOYSA-N 1 0 385.533 4.020 20 0 GIADRO C[C@H](C[NH2+][C@@H](c1cnn(C)c1)c1cccc(F)c1)c1nc(-c2ccccc2)no1 ZINC000181030670 821602718 /nfs/dbraw/zinc/60/27/18/821602718.db2.gz BXURIMYIXFYVEC-FOIQADDNSA-N 1 0 391.450 4.092 20 0 GIADRO COc1ccc2ccccc2c1-c1cc(C[NH+]2CCC(C3OCCO3)CC2)on1 ZINC000181064868 821615784 /nfs/dbraw/zinc/61/57/84/821615784.db2.gz GZEYYBMLBILHQH-UHFFFAOYSA-N 1 0 394.471 4.088 20 0 GIADRO Cc1ccoc1C(=O)NCCC[NH2+][C@H](C)c1sc(-c2ccccc2)nc1C ZINC000181073061 821619224 /nfs/dbraw/zinc/61/92/24/821619224.db2.gz SPIWKPXNYNCSKD-OAHLLOKOSA-N 1 0 383.517 4.491 20 0 GIADRO Cc1ccc2c(c1)[C@H](Nc1cccc(C[NH+]3CCC(C(N)=O)CC3)c1)[C@H](C)C2 ZINC000181081563 821623263 /nfs/dbraw/zinc/62/32/63/821623263.db2.gz UUDVDOFQZZIDAG-UZUQRXQVSA-N 1 0 377.532 4.038 20 0 GIADRO CC[C@H]([NH2+][C@H](C)CC(=O)Nc1ccc(OC)cc1OC)c1cc(F)ccc1F ZINC000181102534 821633680 /nfs/dbraw/zinc/63/36/80/821633680.db2.gz WVFFPYWRINPDJX-ACJLOTCBSA-N 1 0 392.446 4.440 20 0 GIADRO C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)[N@H+](C)CCCn1ccnc1 ZINC000181114325 821640450 /nfs/dbraw/zinc/64/04/50/821640450.db2.gz YTFIMVUMTBXUNC-SFHVURJKSA-N 1 0 378.476 4.025 20 0 GIADRO C[C@H](N[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Br)cc1Br ZINC000044686284 821644612 /nfs/dbraw/zinc/64/46/12/821644612.db2.gz VRQWCKPDNBRCNY-JQWIXIFHSA-N 1 0 388.147 4.099 20 0 GIADRO Cc1cc(C(C)(C)C)cc2c1OCCC[C@H]2[NH2+]C1CCC(S(C)(=O)=O)CC1 ZINC000181120444 821645540 /nfs/dbraw/zinc/64/55/40/821645540.db2.gz OPRRHBVIILOMRR-AFMYVXGZSA-N 1 0 393.593 4.452 20 0 GIADRO CC1CC[NH+](Cc2ccc(CNC(=O)Cc3cccc4cccnc43)cc2)CC1 ZINC000044711169 821648485 /nfs/dbraw/zinc/64/84/85/821648485.db2.gz SAWXSQYXVBNMEI-UHFFFAOYSA-N 1 0 387.527 4.326 20 0 GIADRO Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]C1CCC(S(C)(=O)=O)CC1 ZINC000181125592 821649051 /nfs/dbraw/zinc/64/90/51/821649051.db2.gz OJUCIJMPCNNSIZ-CTWPCTMYSA-N 1 0 377.575 4.286 20 0 GIADRO CC(=O)Nc1ccc(C(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000044755995 821654443 /nfs/dbraw/zinc/65/44/43/821654443.db2.gz DTPZEHATOGYGQF-QZTJIDSGSA-N 1 0 393.531 4.053 20 0 GIADRO O=C(NC1CC[NH+](C2CC2)CC1)C1(c2cccc(Br)c2)CCCC1 ZINC000044775935 821659985 /nfs/dbraw/zinc/65/99/85/821659985.db2.gz NVJNCNNMAQZCAE-UHFFFAOYSA-N 1 0 391.353 4.004 20 0 GIADRO CC[C@@H](C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(OC)cc1 ZINC000181147789 821663608 /nfs/dbraw/zinc/66/36/08/821663608.db2.gz QTPGUCYWABRKAB-NZQKXSOJSA-N 1 0 380.532 4.169 20 0 GIADRO C[NH+]1CCN(c2ccc(NC(=O)/C=C/c3ccccc3)c(C(F)(F)F)c2)CC1 ZINC000044796570 821663993 /nfs/dbraw/zinc/66/39/93/821663993.db2.gz CJCBXRUOJHPIDO-JXMROGBWSA-N 1 0 389.421 4.109 20 0 GIADRO CCC(CC)n1nc(C)cc1C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000181147873 821664033 /nfs/dbraw/zinc/66/40/33/821664033.db2.gz XTGLFLQVSHYMMR-HXUWFJFHSA-N 1 0 382.552 4.147 20 0 GIADRO CCc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C(F)(F)F)cc1 ZINC000044796753 821664462 /nfs/dbraw/zinc/66/44/62/821664462.db2.gz LBRWKCDRTOEUOD-UHFFFAOYSA-N 1 0 391.437 4.272 20 0 GIADRO Cc1cccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C(F)(F)F)c1 ZINC000044796742 821664500 /nfs/dbraw/zinc/66/45/00/821664500.db2.gz KMYDKYAKWDRAEU-UHFFFAOYSA-N 1 0 377.410 4.018 20 0 GIADRO CCOc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000044803167 821665156 /nfs/dbraw/zinc/66/51/56/821665156.db2.gz RPJLGFVIRFTWIR-UONOGXRCSA-N 1 0 378.419 4.365 20 0 GIADRO CCOc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(OC(F)F)cc2)cc1 ZINC000044803015 821665239 /nfs/dbraw/zinc/66/52/39/821665239.db2.gz OBIXOAFIXUGYEJ-KGLIPLIRSA-N 1 0 378.419 4.365 20 0 GIADRO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CCCN1C(=O)COc2ccccc21 ZINC000181151223 821665681 /nfs/dbraw/zinc/66/56/81/821665681.db2.gz ULAMKXPTZWVROJ-CVEARBPZSA-N 1 0 395.528 4.194 20 0 GIADRO C[C@@H](c1nc2ccccc2o1)[NH+]1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000181157556 821669373 /nfs/dbraw/zinc/66/93/73/821669373.db2.gz GMFWHWPXGJMYAQ-ZDUSSCGKSA-N 1 0 384.867 4.288 20 0 GIADRO Fc1cccc([C@H]([NH2+]C[C@@H]2COC3(CCOCC3)O2)c2cccc(Cl)c2)c1 ZINC000181160267 821671718 /nfs/dbraw/zinc/67/17/18/821671718.db2.gz VZORVANHXUXBKY-WOJBJXKFSA-N 1 0 391.870 4.080 20 0 GIADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](c2ccc(Cl)cc2)[C@H]2C[C@H]2C)cc1 ZINC000181164079 821673836 /nfs/dbraw/zinc/67/38/36/821673836.db2.gz MHDOBJGJCNBNFB-BBNYVJOESA-N 1 0 392.952 4.296 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc(NC(C)=O)c(SC)c1 ZINC000044958895 821683178 /nfs/dbraw/zinc/68/31/78/821683178.db2.gz INPAYEDTOWNKDY-UHFFFAOYSA-N 1 0 399.560 4.139 20 0 GIADRO CC(C)C[C@@H](C)[NH2+][C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000181194485 821689061 /nfs/dbraw/zinc/68/90/61/821689061.db2.gz UFXXXTRXQQKPSN-VLIAUNLRSA-N 1 0 381.488 4.482 20 0 GIADRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(C(=O)N3CCCC3)cc2)cc1OC ZINC000045004661 821689164 /nfs/dbraw/zinc/68/91/64/821689164.db2.gz ALNGGZGIYMAOME-NRFANRHFSA-N 1 0 394.515 4.277 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1[nH]c2ccccc2c1Cl ZINC000045009387 821689705 /nfs/dbraw/zinc/68/97/05/821689705.db2.gz ZINKTMXPOWSHMA-UHFFFAOYSA-N 1 0 382.895 4.134 20 0 GIADRO CO[C@H](C[NH2+][C@@H](C)CC(=O)Nc1cccnc1Cl)c1cccc(Cl)c1 ZINC000181196452 821690562 /nfs/dbraw/zinc/69/05/62/821690562.db2.gz YKYMAIYSSGHVPB-BLLLJJGKSA-N 1 0 382.291 4.083 20 0 GIADRO CO[C@H](C[NH2+]C1CCC2(CC1)C(=O)Nc1ccccc12)c1cccc(Cl)c1 ZINC000181196158 821690578 /nfs/dbraw/zinc/69/05/78/821690578.db2.gz NCWISAGHEZVPFJ-LVKMRUPZSA-N 1 0 384.907 4.450 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H](OC)c2cccc(Cl)c2)cc1 ZINC000181195786 821690601 /nfs/dbraw/zinc/69/06/01/821690601.db2.gz LURHEWRDBCJWLP-IFXJQAMLSA-N 1 0 396.940 4.140 20 0 GIADRO COc1cc([C@H](C)[NH2+]C[C@H](OC)c2cccc(Cl)c2)cc(OC)c1OC ZINC000181197702 821691383 /nfs/dbraw/zinc/69/13/83/821691383.db2.gz KCFAZCPAODPRBC-DJJJIMSYSA-N 1 0 379.884 4.404 20 0 GIADRO Cc1cc2ncc([C@H](C)[NH2+][C@H](C)c3ccc(NC(=O)NC4CC4)cc3)c(C)n2n1 ZINC000181203864 821695410 /nfs/dbraw/zinc/69/54/10/821695410.db2.gz VHLMHOXLAMQAND-CABCVRRESA-N 1 0 392.507 4.042 20 0 GIADRO O=C(C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1)Nc1nc(-c2ccco2)cs1 ZINC000181216963 821702537 /nfs/dbraw/zinc/70/25/37/821702537.db2.gz URFMZTOMGMLJMK-RDJZCZTQSA-N 1 0 397.500 4.099 20 0 GIADRO CC(C)C[C@H]([NH2+]CC1(CS(C)(=O)=O)CC1)c1cccc(C(F)(F)F)c1 ZINC000181223810 821704919 /nfs/dbraw/zinc/70/49/19/821704919.db2.gz XJTUBJGPPYOSPD-INIZCTEOSA-N 1 0 377.472 4.207 20 0 GIADRO CCN(C(=O)C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)[C@@H](C)c1ccc(F)cc1 ZINC000181230119 821707901 /nfs/dbraw/zinc/70/79/01/821707901.db2.gz SKFVADYLABAXSY-SFYKDHMMSA-N 1 0 398.522 4.493 20 0 GIADRO CCn1cc(C(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)c2ccccc21 ZINC000181238089 821713633 /nfs/dbraw/zinc/71/36/33/821713633.db2.gz CGTKQMWSBYLSQJ-UHFFFAOYSA-N 1 0 390.531 4.435 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)c1 ZINC000181250003 821718184 /nfs/dbraw/zinc/71/81/84/821718184.db2.gz LSTBRQLWLQSKRS-SUMWQHHRSA-N 1 0 375.875 4.367 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+][C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)s1 ZINC000181251061 821718241 /nfs/dbraw/zinc/71/82/41/821718241.db2.gz RQXRUSHVCGPGDO-TZMCWYRMSA-N 1 0 397.947 4.362 20 0 GIADRO CC(=O)N(c1nc(C[NH2+]CC[C@H]2CCCCO2)cs1)c1ccc(F)cc1 ZINC000181261235 821722937 /nfs/dbraw/zinc/72/29/37/821722937.db2.gz GFHQADGKYJPSRB-GOSISDBHSA-N 1 0 377.485 4.016 20 0 GIADRO CC(C)c1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000181265915 821724381 /nfs/dbraw/zinc/72/43/81/821724381.db2.gz HFOWEUBSFZXLGE-IRXDYDNUSA-N 1 0 395.503 4.444 20 0 GIADRO CC(C)(C)n1cc(C(=O)NCC2(C)CC[NH2+]CC2)c(-c2ccccc2Cl)n1 ZINC000181274298 821727531 /nfs/dbraw/zinc/72/75/31/821727531.db2.gz WHRTYNUYQZDRJZ-UHFFFAOYSA-N 1 0 388.943 4.078 20 0 GIADRO COc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(-c3cccnc3)cc2)c(OC)c1 ZINC000181274227 821727620 /nfs/dbraw/zinc/72/76/20/821727620.db2.gz ZLBVBWBXKZWOSQ-MRXNPFEDSA-N 1 0 391.471 4.055 20 0 GIADRO C[C@H]([NH2+]CC(=O)N[C@@H]1CCOc2ccccc21)c1ccc(-c2cccnc2)cc1 ZINC000181274379 821727758 /nfs/dbraw/zinc/72/77/58/821727758.db2.gz GRIOOVSRBXRQAT-HTAPYJJXSA-N 1 0 387.483 4.039 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc(-c2cccnc2)cc1)C(=O)Nc1ccc(Cl)cn1 ZINC000181276831 821729965 /nfs/dbraw/zinc/72/99/65/821729965.db2.gz GFCMEBAFFSAGQF-HUUCEWRRSA-N 1 0 380.879 4.475 20 0 GIADRO COc1cccc([C@@H]2[C@H]([NH2+][C@@H]3CCCc4nc(C)sc43)CCN2C2CC2)c1 ZINC000181282170 821733806 /nfs/dbraw/zinc/73/38/06/821733806.db2.gz HAJMUMUZDWYTMR-HMXCVIKNSA-N 1 0 383.561 4.405 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[NH2+][C@H](C)c2ccc(-c3cccnc3)cc2)c1 ZINC000181291723 821738735 /nfs/dbraw/zinc/73/87/35/821738735.db2.gz LSPVFKYXIQWANI-MRXNPFEDSA-N 1 0 391.471 4.055 20 0 GIADRO CC(=O)c1cccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccc(-c3cccnc3)cc2)c1 ZINC000181293907 821739819 /nfs/dbraw/zinc/73/98/19/821739819.db2.gz IRPABESUNAKKPA-SBUREZEXSA-N 1 0 390.483 4.042 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc(-c2cccnc2)cc1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000181293792 821739871 /nfs/dbraw/zinc/73/98/71/821739871.db2.gz HCURCMDIRIUPDI-HZPDHXFCSA-N 1 0 389.455 4.155 20 0 GIADRO CCC[C@@H]([NH2+][C@@H]1CCc2nc(COC)nn2C1)c1ccc(Cl)c(Cl)c1 ZINC000181295481 821740782 /nfs/dbraw/zinc/74/07/82/821740782.db2.gz YDWQHRBJTKBZBX-CZUORRHYSA-N 1 0 383.323 4.177 20 0 GIADRO Cc1ccc2c(C[NH2+][C@H](C)c3ccc(N4CCOC4=O)cc3)cc(=O)oc2c1C ZINC000181296090 821741410 /nfs/dbraw/zinc/74/14/10/821741410.db2.gz OGMJUKYXASCEIL-MRXNPFEDSA-N 1 0 392.455 4.217 20 0 GIADRO Cc1cc(C)c(-c2csc(NC(=O)C[NH2+][C@@H](C)c3cccnc3)n2)c(C)c1 ZINC000181296429 821741457 /nfs/dbraw/zinc/74/14/57/821741457.db2.gz NFVREOBMUKQONM-INIZCTEOSA-N 1 0 380.517 4.420 20 0 GIADRO C[C@@H]([NH2+]CCOc1ccc(F)cc1Cl)c1cccc(N2CCOC2=O)c1 ZINC000181301298 821743443 /nfs/dbraw/zinc/74/34/43/821743443.db2.gz QKGYBNGVWYNGDS-CYBMUJFWSA-N 1 0 378.831 4.165 20 0 GIADRO Cc1ccc(CNC(=O)C[NH2+][C@@H](C)c2ccc(-c3cccnc3)cc2)cc1F ZINC000181305710 821745905 /nfs/dbraw/zinc/74/59/05/821745905.db2.gz WDHGANRHRPXBRI-KRWDZBQOSA-N 1 0 377.463 4.163 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@H](C)c2c(C)nn(CC(F)(F)F)c2C)c1 ZINC000181311033 821749161 /nfs/dbraw/zinc/74/91/61/821749161.db2.gz GOHHNDDVPVPKNB-VXGBXAGGSA-N 1 0 382.430 4.432 20 0 GIADRO Cc1cc(C)c(-c2csc(NC(=O)C[NH2+][C@H](C)c3cccnc3)n2)cc1C ZINC000181321663 821758466 /nfs/dbraw/zinc/75/84/66/821758466.db2.gz GLYJGJHAZSZQSY-MRXNPFEDSA-N 1 0 380.517 4.420 20 0 GIADRO COc1cccc2[nH]cc(CC[NH2+][C@H](C)c3ccc(NC(=O)NC4CC4)cc3)c21 ZINC000181337024 821768445 /nfs/dbraw/zinc/76/84/45/821768445.db2.gz HVQNCGIJJXKXEL-OAHLLOKOSA-N 1 0 392.503 4.354 20 0 GIADRO COc1cccc2[nH]cc(CC[NH2+][C@H](C)c3ccc(N4CCCC4=O)cc3)c21 ZINC000181337562 821768936 /nfs/dbraw/zinc/76/89/36/821768936.db2.gz AAEDUGZHNCPYJN-MRXNPFEDSA-N 1 0 377.488 4.197 20 0 GIADRO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)cc1C ZINC000181338863 821769732 /nfs/dbraw/zinc/76/97/32/821769732.db2.gz NEWWRNJHDLGWRK-ROUUACIJSA-N 1 0 379.504 4.108 20 0 GIADRO Cc1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)c1C ZINC000181338789 821769789 /nfs/dbraw/zinc/76/97/89/821769789.db2.gz NMZACQMKGJGQRY-MSOLQXFVSA-N 1 0 379.504 4.108 20 0 GIADRO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000181340331 821771593 /nfs/dbraw/zinc/77/15/93/821771593.db2.gz SDERQMODCIBYFW-HZPDHXFCSA-N 1 0 399.922 4.453 20 0 GIADRO COC(=O)c1ccc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)cc1 ZINC000181349551 821778882 /nfs/dbraw/zinc/77/88/82/821778882.db2.gz YFYIGLQSMLPCET-UHFFFAOYSA-N 1 0 398.466 4.011 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)Nc2ccc(Br)nc2C)CC1 ZINC000181349424 821779081 /nfs/dbraw/zinc/77/90/81/821779081.db2.gz XWEOXKYKMROQIB-UHFFFAOYSA-N 1 0 397.361 4.128 20 0 GIADRO COc1ccc([C@H](C)[NH2+]Cc2ccc(OC(C)(C)C)nc2)cc1Cn1cccn1 ZINC000181350572 821779491 /nfs/dbraw/zinc/77/94/91/821779491.db2.gz TYIONSOEEGJDSM-KRWDZBQOSA-N 1 0 394.519 4.363 20 0 GIADRO COc1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@H]2CCc4n[nH]cc4C2)CCC3)cc1 ZINC000181351975 821780189 /nfs/dbraw/zinc/78/01/89/821780189.db2.gz TYGIAPGOHUNVFQ-YJBOKZPZSA-N 1 0 380.517 4.066 20 0 GIADRO Cc1cc(C(=O)Nc2cc(C[NH+](C)C)ccc2C)nn1-c1ccccc1Cl ZINC000181351239 821780415 /nfs/dbraw/zinc/78/04/15/821780415.db2.gz YCLSDZULVJOZIP-UHFFFAOYSA-N 1 0 382.895 4.456 20 0 GIADRO CC(C)OC(=O)c1ccc(C[NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000181379712 821795867 /nfs/dbraw/zinc/79/58/67/821795867.db2.gz RDRNSAVMVATYMF-QGZVFWFLSA-N 1 0 380.488 4.229 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+]Cc2cccc(OCC(F)(F)F)c2)s1 ZINC000181382039 821796868 /nfs/dbraw/zinc/79/68/68/821796868.db2.gz CNIMGDAXYWPFDK-LBPRGKRZSA-N 1 0 388.455 4.432 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+]Cc2ccc(N3CCCCCC3)nc2)s1 ZINC000181382915 821797572 /nfs/dbraw/zinc/79/75/72/821797572.db2.gz FGZMHKIGDWIXFR-INIZCTEOSA-N 1 0 388.581 4.267 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+]C2CCN(Cc3ccccc3C)CC2)s1 ZINC000181383529 821798099 /nfs/dbraw/zinc/79/80/99/821798099.db2.gz OHEZOQOQVUFMOH-KRWDZBQOSA-N 1 0 387.593 4.264 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)c1cccc(Br)c1)c1ccc(-n2cccn2)cc1 ZINC000181389078 821801070 /nfs/dbraw/zinc/80/10/70/821801070.db2.gz XDCJLUXNSOMQIN-LIRRHRJNSA-N 1 0 386.293 4.019 20 0 GIADRO CCn1c2cccc(F)c2nc1C[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000181391270 821802126 /nfs/dbraw/zinc/80/21/26/821802126.db2.gz GGENXMAPVXEXFY-HNNXBMFYSA-N 1 0 380.467 4.173 20 0 GIADRO C[C@H]([NH2+][C@H](CO)c1cccc(Br)c1)c1cccc(OC(F)F)c1 ZINC000181395899 821805953 /nfs/dbraw/zinc/80/59/53/821805953.db2.gz APBUUGOKTFVJEN-MEDUHNTESA-N 1 0 386.236 4.435 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+]Cc2ccc(Br)c(F)c2)s1 ZINC000181404680 821808520 /nfs/dbraw/zinc/80/85/20/821808520.db2.gz KYPXOWBPYQWPEV-JTQLQIEISA-N 1 0 387.318 4.393 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+]CCCc2nc3c(s2)CCCC3)s1 ZINC000181409595 821810550 /nfs/dbraw/zinc/81/05/50/821810550.db2.gz NLWJNHSXYCVCFU-ZDUSSCGKSA-N 1 0 379.595 4.259 20 0 GIADRO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)c(C)c1 ZINC000181409917 821810721 /nfs/dbraw/zinc/81/07/21/821810721.db2.gz UOCZXGLUAICKAO-QZTJIDSGSA-N 1 0 379.504 4.108 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+]CCCc2nc3c(s2)CCCC3)s1 ZINC000181409574 821810793 /nfs/dbraw/zinc/81/07/93/821810793.db2.gz NLWJNHSXYCVCFU-CYBMUJFWSA-N 1 0 379.595 4.259 20 0 GIADRO Cc1cc(Cl)c2c(c1)[C@H](NC1CC[NH+]([C@@H]3CCCC[C@@H]3O)CC1)CCCO2 ZINC000181417875 821815948 /nfs/dbraw/zinc/81/59/48/821815948.db2.gz NCEOCQXTCREDGM-NJYVYQBISA-N 1 0 392.971 4.220 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+]C[C@@H](O)c2cc(Cl)cc(Cl)c2)s1 ZINC000181422292 821818432 /nfs/dbraw/zinc/81/84/32/821818432.db2.gz GZJFHMHWNGJDIC-ZUZCIYMTSA-N 1 0 389.348 4.331 20 0 GIADRO CSc1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181430141 821822764 /nfs/dbraw/zinc/82/27/64/821822764.db2.gz MTYCEPKRKAKVTI-HZPDHXFCSA-N 1 0 397.544 4.213 20 0 GIADRO CSc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)cc1 ZINC000181438037 821826679 /nfs/dbraw/zinc/82/66/79/821826679.db2.gz KNMWPFFAKOBHMD-HZPDHXFCSA-N 1 0 397.544 4.213 20 0 GIADRO Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)cc1Cl ZINC000181447513 821830388 /nfs/dbraw/zinc/83/03/88/821830388.db2.gz NMYHIMXNXPFLCI-ZSZQSSIHSA-N 1 0 382.957 4.010 20 0 GIADRO C[C@H](NC(=O)CCCOc1ccccc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181453760 821832594 /nfs/dbraw/zinc/83/25/94/821832594.db2.gz YSPMLYSHNNVNKM-IRXDYDNUSA-N 1 0 378.944 4.268 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)C[NH2+]C2(c3cccc(Cl)c3)CCCC2)c1 ZINC000181461750 821837238 /nfs/dbraw/zinc/83/72/38/821837238.db2.gz NAQVABLYNACVPS-UHFFFAOYSA-N 1 0 385.895 4.296 20 0 GIADRO CC[C@@H]([NH2+]Cc1cccnc1-n1cccn1)c1cc(F)cc(Br)c1 ZINC000181473773 821842460 /nfs/dbraw/zinc/84/24/60/821842460.db2.gz RTYPOFMYGWEURZ-QGZVFWFLSA-N 1 0 389.272 4.410 20 0 GIADRO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]Cc1ccn(C2CCCC2)n1 ZINC000181476970 821843464 /nfs/dbraw/zinc/84/34/64/821843464.db2.gz VEXDDFYPVAHYJO-MRXNPFEDSA-N 1 0 388.943 4.178 20 0 GIADRO CCCOc1ccc(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1OCC ZINC000181483249 821846507 /nfs/dbraw/zinc/84/65/07/821846507.db2.gz PLFYYHAOIFNFLF-IEBWSBKVSA-N 1 0 388.552 4.257 20 0 GIADRO COc1cccc2cc([C@H](C)[NH2+]Cc3cccc(CN4CCCC4=O)c3)oc21 ZINC000181490397 821849934 /nfs/dbraw/zinc/84/99/34/821849934.db2.gz WNGYJFSCFPNKJX-INIZCTEOSA-N 1 0 378.472 4.415 20 0 GIADRO C[C@H](NC(=O)c1cc2c(cccc2OC(F)F)[nH]1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181492957 821851853 /nfs/dbraw/zinc/85/18/53/821851853.db2.gz XMXORFXYLSCTFR-KBPBESRZSA-N 1 0 391.462 4.152 20 0 GIADRO O=C(C[NH2+][C@@H](CCO)C1CCCCC1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000181509607 821859718 /nfs/dbraw/zinc/85/97/18/821859718.db2.gz WSARGUWXCJQRBQ-HNNXBMFYSA-N 1 0 392.849 4.218 20 0 GIADRO COc1cccc2cc([C@H](C)[NH2+]Cc3ccc(-n4nc(C)cc4C)nc3)oc21 ZINC000181526055 821866592 /nfs/dbraw/zinc/86/65/92/821866592.db2.gz WAXHVWLVEFOXRW-INIZCTEOSA-N 1 0 376.460 4.490 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(SCC(F)F)cc1 ZINC000181529424 821867737 /nfs/dbraw/zinc/86/77/37/821867737.db2.gz JNIHNUMPMQPEDA-BXUZGUMPSA-N 1 0 396.425 4.248 20 0 GIADRO COC[C@H](Cc1ccccc1)[NH2+][C@@H](C)[C@H](OC1CCOCC1)c1ccccc1 ZINC000181536602 821872010 /nfs/dbraw/zinc/87/20/10/821872010.db2.gz LDHBNVPONQMPHP-APTRMMRNSA-N 1 0 383.532 4.159 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3cc(C)cc(Br)c3o2)[C@H](C)C1 ZINC000181537837 821872452 /nfs/dbraw/zinc/87/24/52/821872452.db2.gz NSOOEXQFGIGESN-CZUORRHYSA-N 1 0 393.325 4.306 20 0 GIADRO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000181538133 821872665 /nfs/dbraw/zinc/87/26/65/821872665.db2.gz RFLBQVFWZKLEFP-WBMJQRKESA-N 1 0 395.425 4.224 20 0 GIADRO C[C@H](NC(=O)c1cccc(Br)c1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181540349 821873705 /nfs/dbraw/zinc/87/37/05/821873705.db2.gz WDGPUEOXOOOACC-STQMWFEESA-N 1 0 399.760 4.485 20 0 GIADRO Cc1cc(Br)ccc1CC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181540093 821873802 /nfs/dbraw/zinc/87/38/02/821873802.db2.gz PSGDHNQRXMDFHU-RDJZCZTQSA-N 1 0 393.369 4.069 20 0 GIADRO Cc1cc(C(=O)CCC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(C)s1 ZINC000181543392 821874513 /nfs/dbraw/zinc/87/45/13/821874513.db2.gz RCVCYIVFTLEJEH-DOTOQJQBSA-N 1 0 376.566 4.097 20 0 GIADRO Cc1cc(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c2c(n1)onc2C(C)C ZINC000181545362 821875242 /nfs/dbraw/zinc/87/52/42/821875242.db2.gz YMFIVXCPUQUSRY-CVEARBPZSA-N 1 0 384.524 4.037 20 0 GIADRO COC1(C[NH2+][C@@H](C)c2cnn(-c3ccc(Cl)cc3Cl)c2C)CCOCC1 ZINC000181548980 821877038 /nfs/dbraw/zinc/87/70/38/821877038.db2.gz FQRNEJFKDABMBD-ZDUSSCGKSA-N 1 0 398.334 4.334 20 0 GIADRO CC[C@@H]([NH2+]C[C@@H](O)c1ccccc1Br)c1cccc([N+](=O)[O-])c1 ZINC000181549372 821877318 /nfs/dbraw/zinc/87/73/18/821877318.db2.gz AJCCOAZJAXWJNQ-IAGOWNOFSA-N 1 0 379.254 4.132 20 0 GIADRO Cc1cccc(Cc2cnc(NC(=O)C[NH2+][C@@H](C)c3cccc(O)c3)s2)c1 ZINC000181558203 821880423 /nfs/dbraw/zinc/88/04/23/821880423.db2.gz HKVOSZLLIOYORB-HNNXBMFYSA-N 1 0 381.501 4.037 20 0 GIADRO OCC1(C[NH2+][C@@H](Cc2ccc(F)cc2)c2ccccc2Cl)CCOCC1 ZINC000181567690 821883794 /nfs/dbraw/zinc/88/37/94/821883794.db2.gz RSEWEZXPYPSZPC-FQEVSTJZSA-N 1 0 377.887 4.142 20 0 GIADRO Cc1csc(Sc2ccc(NC(=O)N3CCC[N@@H+](C)CC3)cc2Cl)n1 ZINC000181583680 821889739 /nfs/dbraw/zinc/88/97/39/821889739.db2.gz WFIIYPJYTBNBAX-UHFFFAOYSA-N 1 0 396.969 4.426 20 0 GIADRO COCCCOc1cccc(C[NH2+][C@@H](C)c2ccc(-n3ccnc3C)cc2)c1 ZINC000181601470 821897905 /nfs/dbraw/zinc/89/79/05/821897905.db2.gz WNEHAEZIXDXTCF-SFHVURJKSA-N 1 0 379.504 4.447 20 0 GIADRO Cc1cccc(C(C)C)c1NC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000181614186 821904466 /nfs/dbraw/zinc/90/44/66/821904466.db2.gz CLZLZXYCXMDHHI-HXUWFJFHSA-N 1 0 381.520 4.007 20 0 GIADRO CC(C)N(CC[NH+](C)C)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000181628117 821911934 /nfs/dbraw/zinc/91/19/34/821911934.db2.gz QSLKODABWLRNFK-UHFFFAOYSA-N 1 0 386.462 4.110 20 0 GIADRO Cc1ccc([C@@H](OC[C@@H](O)C[NH2+][C@@H](C)c2cccnc2)c2ccccc2)cc1 ZINC000181633430 821914524 /nfs/dbraw/zinc/91/45/24/821914524.db2.gz PPZFGVSAVIMPER-IGKWTDBASA-N 1 0 376.500 4.208 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1cc2cc(Cl)ccc2o1 ZINC000181640395 821918571 /nfs/dbraw/zinc/91/85/71/821918571.db2.gz PSHPWACCJCMMRM-ZDUSSCGKSA-N 1 0 377.893 4.482 20 0 GIADRO C[C@H]([NH2+]CC1([C@H](O)c2ccccc2)CC1)c1ccc(OCc2nccn2C)cc1 ZINC000181646264 821920798 /nfs/dbraw/zinc/92/07/98/821920798.db2.gz VSBAANXTPDVSIP-FDDCHVKYSA-N 1 0 391.515 4.164 20 0 GIADRO CC(C)[C@H]([NH2+]CC(=O)N1CCC[C@H](C(F)(F)F)C1)c1ccc(F)cc1F ZINC000181650130 821922975 /nfs/dbraw/zinc/92/29/75/821922975.db2.gz HAVFVUVWWYPNLQ-SJCJKPOMSA-N 1 0 378.385 4.052 20 0 GIADRO C[C@@H](NC(=O)c1ccc(OCc2ccccc2)nc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181659173 821927591 /nfs/dbraw/zinc/92/75/91/821927591.db2.gz GQEPEWIEFLZLTE-WIYYLYMNSA-N 1 0 393.531 4.043 20 0 GIADRO CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)c1sc(C(C)C)nc1C ZINC000181660538 821928942 /nfs/dbraw/zinc/92/89/42/821928942.db2.gz ODRQCQYWEZQONH-GOEBONIOSA-N 1 0 380.579 4.478 20 0 GIADRO COc1cccc2cc([C@H](C)[NH2+]CCc3ccc(OC)c(OC)c3OC)oc21 ZINC000181674079 821937907 /nfs/dbraw/zinc/93/79/07/821937907.db2.gz JLUAGRSUIXARSM-AWEZNQCLSA-N 1 0 385.460 4.361 20 0 GIADRO C[C@@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000181681310 821941186 /nfs/dbraw/zinc/94/11/86/821941186.db2.gz WWYDOHZFVOLSQA-ZIAGYGMSSA-N 1 0 398.981 4.001 20 0 GIADRO C[C@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000181681254 821941274 /nfs/dbraw/zinc/94/12/74/821941274.db2.gz WWYDOHZFVOLSQA-KBPBESRZSA-N 1 0 398.981 4.001 20 0 GIADRO Cc1cc(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)ccc1NC(=O)CC(C)C ZINC000181683255 821942405 /nfs/dbraw/zinc/94/24/05/821942405.db2.gz GBYHGXJLLSTNEW-UYAOXDASSA-N 1 0 399.579 4.362 20 0 GIADRO c1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@H]2CCN(c4ccccn4)C2)CCC3)cc1 ZINC000181704083 821951353 /nfs/dbraw/zinc/95/13/53/821951353.db2.gz TWMHTDXRZAXASO-ROUUACIJSA-N 1 0 376.529 4.451 20 0 GIADRO C[C@@H]([NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000181709461 821953778 /nfs/dbraw/zinc/95/37/78/821953778.db2.gz GXNYQTGYDNEULZ-GQIGUUNPSA-N 1 0 391.508 4.048 20 0 GIADRO C[C@H]([NH2+][C@@H](C)[C@@H]1COc2ccccc21)c1ccc(OCc2nccn2C)cc1 ZINC000181722487 821961259 /nfs/dbraw/zinc/96/12/59/821961259.db2.gz ICUZVGLSVQNEHM-FIKGOQFSSA-N 1 0 377.488 4.214 20 0 GIADRO CCCCO[C@H]1C[C@H]([NH2+]CC2CCN(Cc3nc(C)c(C)o3)CC2)C1(C)C ZINC000181741015 821971514 /nfs/dbraw/zinc/97/15/14/821971514.db2.gz TZBGOJVJGSCCTE-PMACEKPBSA-N 1 0 377.573 4.077 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(-n3ccnn3)cc2)ccc1OC(F)F ZINC000181748163 821974509 /nfs/dbraw/zinc/97/45/09/821974509.db2.gz PDZOZHIUIOTYFX-UONOGXRCSA-N 1 0 388.418 4.289 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1)c1cccc(S(N)(=O)=O)c1 ZINC000181750793 821976539 /nfs/dbraw/zinc/97/65/39/821976539.db2.gz BAAKPYSNKDMNKH-GTNSWQLSSA-N 1 0 387.332 4.443 20 0 GIADRO CCC[N@H+](CC1CCN(C(=O)C(C)(C)C)CC1)[C@H](C)C(=O)Nc1ccccc1 ZINC000181754149 821977804 /nfs/dbraw/zinc/97/78/04/821977804.db2.gz BYXXXQOUFSDKLH-GOSISDBHSA-N 1 0 387.568 4.010 20 0 GIADRO CCOc1ccc(Oc2cc(C[NH2+]Cc3cnn(CC(C)C)c3)ccn2)cc1 ZINC000181768476 821984697 /nfs/dbraw/zinc/98/46/97/821984697.db2.gz NBKXCUSMXASMGQ-UHFFFAOYSA-N 1 0 380.492 4.415 20 0 GIADRO CCn1cc([C@@H](C)[NH2+]CCCOc2ncc(C(F)(F)F)cc2Cl)cn1 ZINC000181769424 821985307 /nfs/dbraw/zinc/98/53/07/821985307.db2.gz VLKCGZPDFUQGRZ-LLVKDONJSA-N 1 0 376.810 4.090 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@@H]2CCN(C)[C@@H]2c2ccccc2)cc1Cn1cccn1 ZINC000181784782 821990722 /nfs/dbraw/zinc/99/07/22/821990722.db2.gz GZJWPYIUWVXEHW-KUWBRRTOSA-N 1 0 390.531 4.036 20 0 GIADRO O=C(Nc1ccc(OCc2ccccc2F)cc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000181807427 822000821 /nfs/dbraw/zinc/00/08/21/822000821.db2.gz HAJFVLPQFTYOGD-GOSISDBHSA-N 1 0 397.494 4.354 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1OCC ZINC000181814925 822004248 /nfs/dbraw/zinc/00/42/48/822004248.db2.gz ZPMXCCXPDAELMS-QUCCMNQESA-N 1 0 396.531 4.183 20 0 GIADRO O=C(NCCc1ccc(OCC[NH+]2CCCC2)cc1)Nc1ccc2[nH]ccc2c1 ZINC000181820135 822005780 /nfs/dbraw/zinc/00/57/80/822005780.db2.gz DIVLEJCOXDPEGW-UHFFFAOYSA-N 1 0 392.503 4.007 20 0 GIADRO C[C@H](C[NH2+][C@@H](C)c1cnn(Cc2ccccc2)c1)c1nc(-c2ccccc2)no1 ZINC000181846322 822015629 /nfs/dbraw/zinc/01/56/29/822015629.db2.gz DEHRDDQCGRJGFU-MSOLQXFVSA-N 1 0 387.487 4.436 20 0 GIADRO COc1ccc(NC(=O)C[NH2+][C@H](C)c2cccc(N3CCCC3)c2)cc1Cl ZINC000181862172 822019505 /nfs/dbraw/zinc/01/95/05/822019505.db2.gz XBQYJPWFKOIMPW-OAHLLOKOSA-N 1 0 387.911 4.238 20 0 GIADRO C[C@H]([NH2+]CC(=O)N[C@@H](c1ccccc1)C1CC1)c1cccc(N2CCCC2)c1 ZINC000181868052 822021252 /nfs/dbraw/zinc/02/12/52/822021252.db2.gz GIVGAEWDNYUTMI-UUOWRZLLSA-N 1 0 377.532 4.205 20 0 GIADRO COc1ccccc1-c1nnc(CN[C@@H](C)c2cccc(N3CCCC3)c2)o1 ZINC000181871257 822022028 /nfs/dbraw/zinc/02/20/28/822022028.db2.gz GFJISGHHLNTRHW-INIZCTEOSA-N 1 0 378.476 4.196 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1ccc(OC(F)F)cc1)c1cccc(N2CCCC2)c1 ZINC000181881626 822025220 /nfs/dbraw/zinc/02/52/20/822025220.db2.gz AUVMEXAWZYGJHU-HNNXBMFYSA-N 1 0 389.446 4.178 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(C(=O)N2CCCC2)cc1)c1cccc(N2CCCC2)c1 ZINC000181883709 822025716 /nfs/dbraw/zinc/02/57/16/822025716.db2.gz BHSRJWBAXVSPOB-IBGZPJMESA-N 1 0 377.532 4.374 20 0 GIADRO C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000181890321 822028023 /nfs/dbraw/zinc/02/80/23/822028023.db2.gz JQCQKQAJRQQFII-FUHWJXTLSA-N 1 0 397.485 4.296 20 0 GIADRO N#Cc1ccc(CN2CCC([NH2+]C[C@@H](O)c3cc4ccccc4s3)CC2)cc1 ZINC000181892147 822028705 /nfs/dbraw/zinc/02/87/05/822028705.db2.gz BNGZIKQWKSDAFT-OAQYLSRUSA-N 1 0 391.540 4.061 20 0 GIADRO CC1(C)[C@H]([NH2+]Cc2ccc(C(=O)Nc3ccc(F)cc3)cc2)[C@H]2CCCO[C@@H]21 ZINC000181905203 822032782 /nfs/dbraw/zinc/03/27/82/822032782.db2.gz IFYHDBPPDAMPMS-NJYVYQBISA-N 1 0 382.479 4.371 20 0 GIADRO C[C@H]([NH2+]CC(=O)N1CCC[C@@H](C(F)(F)F)C1)c1cccc(OC(F)(F)F)c1 ZINC000181906368 822033322 /nfs/dbraw/zinc/03/33/22/822033322.db2.gz MCRXZWWQAAQNKE-WCQYABFASA-N 1 0 398.347 4.037 20 0 GIADRO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cccc(OC(F)(F)F)c2)c(C#N)c1C ZINC000181908869 822034344 /nfs/dbraw/zinc/03/43/44/822034344.db2.gz QGFIKHIWCHUTJL-VXGBXAGGSA-N 1 0 395.381 4.345 20 0 GIADRO CCC(CC)n1nc(C)cc1C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000181929989 822038683 /nfs/dbraw/zinc/03/86/83/822038683.db2.gz XPPAMZOVHRFEKN-UHFFFAOYSA-N 1 0 397.567 4.335 20 0 GIADRO CS(=O)(=O)c1ccc([C@H](O)C[NH2+][C@H](CC2CCCC2)c2ccccc2)cc1 ZINC000181941904 822041657 /nfs/dbraw/zinc/04/16/57/822041657.db2.gz GPFQMHLTRHVQGF-FGZHOGPDSA-N 1 0 387.545 4.035 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)C[NH2+][C@@H](CC2CCCC2)c2ccccc2)c1 ZINC000181944101 822042051 /nfs/dbraw/zinc/04/20/51/822042051.db2.gz DXZXFINHRLZFJS-QFIPXVFZSA-N 1 0 379.504 4.495 20 0 GIADRO CCC(CC)[C@H]1C[C@@H](NC(=O)NC2CC[NH+](C3CCCCC3)CC2)CCO1 ZINC000181962421 822047349 /nfs/dbraw/zinc/04/73/49/822047349.db2.gz VLMQJHRLZBQXAD-PZJWPPBQSA-N 1 0 379.589 4.067 20 0 GIADRO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1c[nH]c2cc(F)ccc12 ZINC000181966464 822047978 /nfs/dbraw/zinc/04/79/78/822047978.db2.gz HJOWQTGMRPAIOM-YQQQUEKLSA-N 1 0 377.463 4.232 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1cc2c(ccc3ccccc23)o1 ZINC000181995955 822057250 /nfs/dbraw/zinc/05/72/50/822057250.db2.gz PDCIAKMVLVMDAR-HNAYVOBHSA-N 1 0 388.471 4.166 20 0 GIADRO C[C@@H]([NH2+][C@@H](CC(N)=O)C1CCCCC1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000182007508 822060277 /nfs/dbraw/zinc/06/02/77/822060277.db2.gz OWHAAZQJEAYYGV-VGSWGCGISA-N 1 0 393.531 4.095 20 0 GIADRO C[C@@H](CNC(=O)CC1CCC(C(F)(F)F)CC1)N1CCc2sccc2C1 ZINC000182018314 822064115 /nfs/dbraw/zinc/06/41/15/822064115.db2.gz LVGCTONZCMDYDJ-HLIUYOAVSA-N 1 0 388.499 4.370 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(C(=O)Nc2ccccc2)cc1)c1ccc(-n2ccnn2)cc1 ZINC000182044338 822071887 /nfs/dbraw/zinc/07/18/87/822071887.db2.gz BDDCTLGNRHIYRJ-SFHVURJKSA-N 1 0 397.482 4.370 20 0 GIADRO C[C@H]([NH2+]Cc1cn2cc(Cl)cc(Cl)c2n1)c1ccc(-n2ccnn2)cc1 ZINC000182046366 822072271 /nfs/dbraw/zinc/07/22/71/822072271.db2.gz MMMQORHOVDJPCH-LBPRGKRZSA-N 1 0 387.274 4.073 20 0 GIADRO COc1ccc(C[NH2+][C@@H](C)c2ccc(NC(C)=O)cc2)cc1Br ZINC000182046889 822072691 /nfs/dbraw/zinc/07/26/91/822072691.db2.gz BNILEUICFRBXBJ-LBPRGKRZSA-N 1 0 377.282 4.267 20 0 GIADRO CCC[C@H]([NH2+][C@@H](C)c1ccc(NC(C)=O)cc1)C(=O)N1CCc2sccc2C1 ZINC000182050795 822073981 /nfs/dbraw/zinc/07/39/81/822073981.db2.gz ZUPFQJPKHUDQHO-YWZLYKJASA-N 1 0 399.560 4.111 20 0 GIADRO O=C(CCCCCc1cccs1)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC000182057959 822076717 /nfs/dbraw/zinc/07/67/17/822076717.db2.gz RBIUVHQZHJEIGW-UHFFFAOYSA-N 1 0 386.561 4.446 20 0 GIADRO C/C(=C\c1ccc(Cl)cc1)C(=O)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC000182060154 822077729 /nfs/dbraw/zinc/07/77/29/822077729.db2.gz TUHZCSVSZNBOJF-JQIJEIRASA-N 1 0 384.907 4.339 20 0 GIADRO CC(C)CC(=O)Nc1ccc(C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)cc1F ZINC000182063578 822078771 /nfs/dbraw/zinc/07/87/71/822078771.db2.gz SPJGOQAUQKMNPS-QGZVFWFLSA-N 1 0 399.510 4.061 20 0 GIADRO CCOc1c(Br)cc(C[N@H+](C)[C@@H](C)c2ccccn2)cc1OC ZINC000182064332 822079097 /nfs/dbraw/zinc/07/90/97/822079097.db2.gz WWBVVXIVWLCRCM-ZDUSSCGKSA-N 1 0 379.298 4.444 20 0 GIADRO Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@H](C)c1ccc(OCc2cccc(C)c2)cc1 ZINC000182067372 822080233 /nfs/dbraw/zinc/08/02/33/822080233.db2.gz JZGWSYZKTSHMTH-MRXNPFEDSA-N 1 0 392.503 4.203 20 0 GIADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)CCc1ncc(-c2ccccc2F)o1 ZINC000182069882 822081045 /nfs/dbraw/zinc/08/10/45/822081045.db2.gz NAOBHQOKDMTEJY-QGZVFWFLSA-N 1 0 395.478 4.050 20 0 GIADRO CC(C)Oc1ccc(/C=C/C(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000182070199 822081106 /nfs/dbraw/zinc/08/11/06/822081106.db2.gz PSMJELKWCDZRMN-FMIVXFBMSA-N 1 0 394.515 4.082 20 0 GIADRO COC(=O)c1ccc(C[NH2+][C@H](C)c2ccc(OC)c(Br)c2)c(F)c1 ZINC000182070401 822081405 /nfs/dbraw/zinc/08/14/05/822081405.db2.gz VRCBTGCOKOOIHG-LLVKDONJSA-N 1 0 396.256 4.234 20 0 GIADRO CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCCN(Cc3c(F)cccc3F)C2)cc1 ZINC000182076010 822083199 /nfs/dbraw/zinc/08/31/99/822083199.db2.gz OEVNDXMQIJONBN-HNAYVOBHSA-N 1 0 387.474 4.238 20 0 GIADRO COc1ccc(C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)cc1-c1ccccn1 ZINC000182089657 822089318 /nfs/dbraw/zinc/08/93/18/822089318.db2.gz BMWYJJAFMYUHEM-GOSISDBHSA-N 1 0 389.499 4.008 20 0 GIADRO CC(=O)Nc1ccc([C@@H](C)[NH2+]CC2(N[C@H](C)c3ccccc3)CCOCC2)cc1 ZINC000182090041 822089384 /nfs/dbraw/zinc/08/93/84/822089384.db2.gz OVKRROLSOVDGPP-RTBURBONSA-N 1 0 395.547 4.196 20 0 GIADRO Cc1cc(C[NH2+][C@@H](C[S@@](C)=O)c2ccccc2)ccc1Oc1cccnc1 ZINC000182100973 822094197 /nfs/dbraw/zinc/09/41/97/822094197.db2.gz INGXUVXHNZRMBL-KDYSTLNUSA-N 1 0 380.513 4.392 20 0 GIADRO CC(C)Sc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2sccc2C(N)=O)cc1 ZINC000182105340 822095698 /nfs/dbraw/zinc/09/56/98/822095698.db2.gz QCLYEHGATRDKGZ-CHWSQXEVSA-N 1 0 391.562 4.025 20 0 GIADRO COC(=O)c1cc(C[NH2+][C@H](C)c2ccc(OC)c(Br)c2)c(C)s1 ZINC000182109274 822097376 /nfs/dbraw/zinc/09/73/76/822097376.db2.gz CFPKUBYVCJBCIA-SNVBAGLBSA-N 1 0 398.322 4.465 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(OC(C)=O)cc2)cc1Br ZINC000182112925 822098882 /nfs/dbraw/zinc/09/88/82/822098882.db2.gz GVZDVHUYRHLGDE-GFCCVEGCSA-N 1 0 378.266 4.234 20 0 GIADRO CCSc1ccc([C@@H](C)[NH2+]Cc2nc(=O)c3c4c(sc3[nH]2)CCC4)cc1 ZINC000182126315 822105750 /nfs/dbraw/zinc/10/57/50/822105750.db2.gz MITYLCADWPTFRA-GFCCVEGCSA-N 1 0 385.558 4.436 20 0 GIADRO CCCC[C@H]([NH2+]CC(=O)Nc1cccc(NC(C)=O)c1)c1ccc(OC)cc1 ZINC000182150717 822119045 /nfs/dbraw/zinc/11/90/45/822119045.db2.gz HQSNCBUOFMCURN-NRFANRHFSA-N 1 0 383.492 4.113 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)cc(OC)c1OC ZINC000182154996 822120986 /nfs/dbraw/zinc/12/09/86/822120986.db2.gz NNGAFVSPHBERKG-LCIZUOBNSA-N 1 0 393.430 4.171 20 0 GIADRO C[NH+](C)CCOc1cc(CNC(=O)N(c2ccccc2)c2ccccc2)ccn1 ZINC000182168341 822128249 /nfs/dbraw/zinc/12/82/49/822128249.db2.gz FSKQOUBPYJYLNS-UHFFFAOYSA-N 1 0 390.487 4.070 20 0 GIADRO Cc1ccc2c(c1)OCCC[C@H]2[NH2+][C@@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000182186846 822138189 /nfs/dbraw/zinc/13/81/89/822138189.db2.gz XPIQPALBRXNHFM-IFMALSPDSA-N 1 0 378.516 4.032 20 0 GIADRO C[N@H+](CCCO)C1CCN(Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)CC1 ZINC000182192527 822140082 /nfs/dbraw/zinc/14/00/82/822140082.db2.gz LKZQEWNEXSOOIX-UHFFFAOYSA-N 1 0 396.453 4.244 20 0 GIADRO Cc1cc(Br)cc(C[NH2+]C2(c3ccc(F)cc3)CCOCC2)c1O ZINC000182207140 822147200 /nfs/dbraw/zinc/14/72/00/822147200.db2.gz JYEVNUAHJRVTND-UHFFFAOYSA-N 1 0 394.284 4.398 20 0 GIADRO COC(=O)[C@@H](C)Oc1ccc(C[NH2+]C2(c3ccc(OC)cc3)CCCC2)cc1 ZINC000182209346 822148571 /nfs/dbraw/zinc/14/85/71/822148571.db2.gz MKSXYMTZPCOSBX-QGZVFWFLSA-N 1 0 383.488 4.195 20 0 GIADRO Cc1nc([C@H](N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c2ccccc2F)no1 ZINC000182246691 822166074 /nfs/dbraw/zinc/16/60/74/822166074.db2.gz UZZDBBGNYFPPCD-UQASEVPWSA-N 1 0 380.467 4.032 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1SC(F)F)c1ccc2c(c1)OCO2 ZINC000182264022 822177153 /nfs/dbraw/zinc/17/71/53/822177153.db2.gz LPDUEYMZLPMFLV-LLVKDONJSA-N 1 0 380.416 4.019 20 0 GIADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H](c2ccc(Cl)cc2F)C(C)C)c1 ZINC000182276120 822183211 /nfs/dbraw/zinc/18/32/11/822183211.db2.gz NHGXEIKQQGQFOA-YJYMSZOUSA-N 1 0 398.931 4.435 20 0 GIADRO CC[NH+](CC)Cc1cc([C@H](C)Nc2ccc3c(c2)N(C)C(=O)CO3)ccc1OC ZINC000182291219 822190054 /nfs/dbraw/zinc/19/00/54/822190054.db2.gz WPSFIIZEGQHMDI-INIZCTEOSA-N 1 0 397.519 4.065 20 0 GIADRO CC1CC[NH+](Cc2ccc(CNC(=O)N3CCCC[C@H]3c3cn[nH]c3)cc2)CC1 ZINC000182302721 822193956 /nfs/dbraw/zinc/19/39/56/822193956.db2.gz TZJIVUKFUHHTDZ-QFIPXVFZSA-N 1 0 395.551 4.078 20 0 GIADRO COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[NH2+][C@H](C)c2ccc(C)cc2)c1 ZINC000182311941 822199107 /nfs/dbraw/zinc/19/91/07/822199107.db2.gz UILGOQOANZVJAB-UTKZUKDTSA-N 1 0 382.504 4.027 20 0 GIADRO COc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@@H](C)c2ccc(C)cc2)c(OC)c1 ZINC000182348905 822210326 /nfs/dbraw/zinc/21/03/26/822210326.db2.gz VHGIEVMWCRZCQF-LAUBAEHRSA-N 1 0 382.504 4.027 20 0 GIADRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)c1 ZINC000182350178 822210787 /nfs/dbraw/zinc/21/07/87/822210787.db2.gz WHYHWNJTFIDTHD-QWRGUYRKSA-N 1 0 383.275 4.385 20 0 GIADRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)c1 ZINC000182351160 822211085 /nfs/dbraw/zinc/21/10/85/822211085.db2.gz WJJXUNJPTIQPNU-NEPJUHHUSA-N 1 0 397.302 4.236 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H]3C[C@]34CCc3ccccc34)cc2)CC1 ZINC000182355520 822213170 /nfs/dbraw/zinc/21/31/70/822213170.db2.gz DBAWNUFLFGPCGU-NOZRDPDXSA-N 1 0 389.543 4.060 20 0 GIADRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C(=O)Nc2ccccc2)c2ccccc2)c1 ZINC000182365169 822216640 /nfs/dbraw/zinc/21/66/40/822216640.db2.gz XCCXVXQPTFSWAH-AOMKIAJQSA-N 1 0 376.456 4.431 20 0 GIADRO COc1ccccc1[C@@H](C)CC(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000182365732 822216672 /nfs/dbraw/zinc/21/66/72/822216672.db2.gz VZKMBYVQIYFUTK-SFHVURJKSA-N 1 0 395.547 4.358 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3nc(Cl)ccc3Cl)cc2)CC1 ZINC000182367079 822217362 /nfs/dbraw/zinc/21/73/62/822217362.db2.gz SAGCUQBJYOYTAG-UHFFFAOYSA-N 1 0 393.318 4.171 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H]3CSc4ccccc43)cc2)CC1 ZINC000182367843 822217748 /nfs/dbraw/zinc/21/77/48/822217748.db2.gz LNQTXGWFYWQZLS-HXUWFJFHSA-N 1 0 381.545 4.045 20 0 GIADRO COc1ccc2ccccc2c1CNC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182391560 822226536 /nfs/dbraw/zinc/22/65/36/822226536.db2.gz VEBKUUKNZKIDKI-MJGOQNOKSA-N 1 0 395.547 4.301 20 0 GIADRO COc1ccc(NC(=O)CC[NH2+][C@@H](CC(F)(F)F)c2ccc(F)cc2)cc1 ZINC000182405384 822231979 /nfs/dbraw/zinc/23/19/79/822231979.db2.gz HTQQGUNEGHBBQU-KRWDZBQOSA-N 1 0 384.373 4.446 20 0 GIADRO Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000182406921 822232402 /nfs/dbraw/zinc/23/24/02/822232402.db2.gz DNGKNUKAQZDJRV-HXUWFJFHSA-N 1 0 389.588 4.165 20 0 GIADRO Cc1cc(Cl)cc(C[NH2+]Cc2ccc(N(C)C(=O)c3ccncc3)cc2)c1O ZINC000182416613 822235140 /nfs/dbraw/zinc/23/51/40/822235140.db2.gz KCRBVYJDBHIVGW-UHFFFAOYSA-N 1 0 395.890 4.315 20 0 GIADRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)c1 ZINC000182438487 822243019 /nfs/dbraw/zinc/24/30/19/822243019.db2.gz QJOCERYELQEKQC-ROUUACIJSA-N 1 0 395.503 4.004 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)Nc2cnc(Br)c(C)c2)CC1 ZINC000182450905 822246968 /nfs/dbraw/zinc/24/69/68/822246968.db2.gz QVIMOAFTYDODNG-UHFFFAOYSA-N 1 0 397.361 4.128 20 0 GIADRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)C(=O)Nc2c3ccccc3oc2C(C)=O)c1 ZINC000182453571 822248023 /nfs/dbraw/zinc/24/80/23/822248023.db2.gz FZBBGJYUUCRPCD-CHWSQXEVSA-N 1 0 396.443 4.027 20 0 GIADRO COc1ccccc1[C@@H](C)NC(=O)C[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000182455088 822248811 /nfs/dbraw/zinc/24/88/11/822248811.db2.gz VUFXEFUDEBJQQP-UONOGXRCSA-N 1 0 380.410 4.242 20 0 GIADRO COc1ccccc1CN(C)C(=O)C[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000182456028 822248981 /nfs/dbraw/zinc/24/89/81/822248981.db2.gz RTZCCCSCIYWXJZ-AWEZNQCLSA-N 1 0 380.410 4.023 20 0 GIADRO CCC(CC)C[NH2+][C@H](c1ccc(OC)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000182463440 822253029 /nfs/dbraw/zinc/25/30/29/822253029.db2.gz RLQDPTDBWDPWKN-OAQYLSRUSA-N 1 0 375.534 4.214 20 0 GIADRO COc1cc([C@H](C)[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)ccc1SC ZINC000177970269 822262726 /nfs/dbraw/zinc/26/27/26/822262726.db2.gz RMCMCWIIFCCJAB-ZDUSSCGKSA-N 1 0 399.965 4.195 20 0 GIADRO C[C@H]([NH2+][C@H]1CCSc2c(F)cccc21)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000177971848 822263350 /nfs/dbraw/zinc/26/33/50/822263350.db2.gz WXODKQZDOPVVNV-ZBEGNZNMSA-N 1 0 383.485 4.256 20 0 GIADRO CCc1nc2c(s1)[C@@H]([NH2+]CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)CCC2 ZINC000177976172 822266072 /nfs/dbraw/zinc/26/60/72/822266072.db2.gz BDADNGYMCAOTLQ-CABCVRRESA-N 1 0 379.570 4.320 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(CN2CCCC2=O)c1)c1ccc(Br)s1 ZINC000177992601 822273588 /nfs/dbraw/zinc/27/35/88/822273588.db2.gz RCPUMOFICNWINK-ZDUSSCGKSA-N 1 0 393.350 4.484 20 0 GIADRO O=c1[nH]c2ccccc2cc1C[N@H+]1CCCCC[C@H]1C[C@H](O)c1ccccc1 ZINC000177997397 822275947 /nfs/dbraw/zinc/27/59/47/822275947.db2.gz PSSXXMOOYVVQGG-GMAHTHKFSA-N 1 0 376.500 4.396 20 0 GIADRO CCCOc1ccc(NC(=O)N2CC[C@H](C[N@H+](C)CC)C2)cc1OCCC ZINC000178002911 822278045 /nfs/dbraw/zinc/27/80/45/822278045.db2.gz RLRIBNTXDKFWDH-QGZVFWFLSA-N 1 0 377.529 4.070 20 0 GIADRO CC(=O)c1ccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1Cl ZINC000182519135 822279656 /nfs/dbraw/zinc/27/96/56/822279656.db2.gz ZQCLGWJCYOSOLQ-AUUYWEPGSA-N 1 0 375.900 4.023 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(OCc3ccc(F)cc3)c2)C1 ZINC000178010245 822280821 /nfs/dbraw/zinc/28/08/21/822280821.db2.gz HABZYUWIOLKKPO-GOSISDBHSA-N 1 0 385.483 4.210 20 0 GIADRO COC(=O)c1ccc(C[NH2+]C(c2cccc(OC)c2)c2cccc(OC)c2)cc1 ZINC000182527235 822284405 /nfs/dbraw/zinc/28/44/05/822284405.db2.gz RGBCIHTVRKDZFI-UHFFFAOYSA-N 1 0 391.467 4.370 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCCO2)c1ccc(N2CCCC2=O)cc1 ZINC000178021236 822285519 /nfs/dbraw/zinc/28/55/19/822285519.db2.gz FMNFTNLQGIQCQS-IRXDYDNUSA-N 1 0 380.488 4.387 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)nc2)C1 ZINC000178023743 822287630 /nfs/dbraw/zinc/28/76/30/822287630.db2.gz NFGQEZKLRGVOJI-HNNXBMFYSA-N 1 0 388.899 4.333 20 0 GIADRO CC(=O)Nc1cccc(C[NH2+][C@@H]2CCCOc3ccc(Br)cc32)c1 ZINC000178029154 822289636 /nfs/dbraw/zinc/28/96/36/822289636.db2.gz FFAWXSPSVGHQNQ-GOSISDBHSA-N 1 0 389.293 4.411 20 0 GIADRO C[C@H]1C[NH+](CCCCNC(=O)N(c2ccccc2)c2ccccc2)C[C@H](C)O1 ZINC000182540581 822291694 /nfs/dbraw/zinc/29/16/94/822291694.db2.gz IHXTVWSEVIJDRC-PMACEKPBSA-N 1 0 381.520 4.424 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(OCc3cccc(C)c3)c2)C1 ZINC000178035165 822292228 /nfs/dbraw/zinc/29/22/28/822292228.db2.gz GHRHFXIKFQFTAD-FQEVSTJZSA-N 1 0 381.520 4.380 20 0 GIADRO COc1cc(C)c([C@@H](C)[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)cc1OC ZINC000178036333 822293015 /nfs/dbraw/zinc/29/30/15/822293015.db2.gz CAWRMMJKZXMGLO-JKSUJKDBSA-N 1 0 384.476 4.381 20 0 GIADRO O=C(NC1CC[NH+](Cc2cccnc2)CC1)C1(Sc2ccccc2)CCCC1 ZINC000178047760 822299189 /nfs/dbraw/zinc/29/91/89/822299189.db2.gz TYJHMHFVJJDGRS-UHFFFAOYSA-N 1 0 395.572 4.267 20 0 GIADRO C[C@@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000178051096 822301495 /nfs/dbraw/zinc/30/14/95/822301495.db2.gz RAVMPVUJQNYLIM-MRXNPFEDSA-N 1 0 389.434 4.445 20 0 GIADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc(NC(=O)OC)c(F)c2)C1 ZINC000182560052 822302475 /nfs/dbraw/zinc/30/24/75/822302475.db2.gz AAZWQGSVHUJLJO-AWEZNQCLSA-N 1 0 394.491 4.026 20 0 GIADRO CCCN(CCC)C(=O)C[NH2+][C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000182562360 822303450 /nfs/dbraw/zinc/30/34/50/822303450.db2.gz SYHWHDHYHFKBTJ-SFHVURJKSA-N 1 0 381.520 4.238 20 0 GIADRO CCNS(=O)(=O)c1ccc(C[NH2+][C@@H](Cc2ccccc2)c2ccccc2)cc1 ZINC000178058095 822304465 /nfs/dbraw/zinc/30/44/65/822304465.db2.gz SRXGCLQOBLUGPW-QHCPKHFHSA-N 1 0 394.540 4.058 20 0 GIADRO Cc1cccc2nc(C[NH2+]C3CCN(Cc4c(F)cccc4Cl)CC3)cn21 ZINC000178062670 822305575 /nfs/dbraw/zinc/30/55/75/822305575.db2.gz WEIARRJVTUSIRO-UHFFFAOYSA-N 1 0 386.902 4.189 20 0 GIADRO CC[NH+]1CCN(c2ccc(N[C@H](C)c3cccc(NC(C)=O)c3)c(C)c2)CC1 ZINC000182566106 822305897 /nfs/dbraw/zinc/30/58/97/822305897.db2.gz ZOVRKINYJOPKIL-GOSISDBHSA-N 1 0 380.536 4.268 20 0 GIADRO CC(C)(C)OC(=O)NCCCOC1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000178066866 822307386 /nfs/dbraw/zinc/30/73/86/822307386.db2.gz RXBKDQBGWOPPOL-UHFFFAOYSA-N 1 0 399.535 4.131 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1cccc(OC(F)F)c1)c1ccc(NS(C)(=O)=O)cc1 ZINC000178082718 822312114 /nfs/dbraw/zinc/31/21/14/822312114.db2.gz YXRUFKCCYBABFG-STQMWFEESA-N 1 0 384.448 4.071 20 0 GIADRO COc1cccc([C@@H](O)C[NH2+][C@@H](C)c2cnn(-c3cccc(Cl)c3)c2C)c1 ZINC000178082568 822312238 /nfs/dbraw/zinc/31/22/38/822312238.db2.gz XXWJGRKOJGHMCJ-QKKBWIMNSA-N 1 0 385.895 4.227 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+][C@H]2CCc3cc(Cl)ccc32)c1 ZINC000178085117 822313143 /nfs/dbraw/zinc/31/31/43/822313143.db2.gz NYSKTHFAOXNXPP-ACJLOTCBSA-N 1 0 388.895 4.351 20 0 GIADRO COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCc3cc(Cl)ccc32)c(OC)c1 ZINC000178085311 822313155 /nfs/dbraw/zinc/31/31/55/822313155.db2.gz PRWLQFOLFKGGJL-FZKQIMNGSA-N 1 0 388.895 4.351 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl)c1ccc2c(c1)CCC(=O)N2 ZINC000178088555 822314716 /nfs/dbraw/zinc/31/47/16/822314716.db2.gz BQHUKBJEQNTDTL-BBATYDOGSA-N 1 0 379.287 4.262 20 0 GIADRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(OC)cc1OC)c1cccc(Cl)c1 ZINC000182592309 822315283 /nfs/dbraw/zinc/31/52/83/822315283.db2.gz NQZXHLCCNKFHOA-DYVFJYSZSA-N 1 0 376.884 4.425 20 0 GIADRO CC(C)CC[N@@H+]1Cc2cccc(NC(=O)c3cnn(CCC(F)(F)F)c3)c2C1 ZINC000182595300 822316288 /nfs/dbraw/zinc/31/62/88/822316288.db2.gz JKZUHMIVUIPAFA-UHFFFAOYSA-N 1 0 394.441 4.450 20 0 GIADRO CCc1ccc([C@@H]([NH2+][C@H](C)CCCOC)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000178107075 822322436 /nfs/dbraw/zinc/32/24/36/822322436.db2.gz AXJHFKALNOSMHM-VGOFRKELSA-N 1 0 389.561 4.147 20 0 GIADRO O=C(c1ccccc1Cl)N1CCC([NH2+][C@H](c2ccccc2)[C@@H]2CCCO2)CC1 ZINC000178119336 822325031 /nfs/dbraw/zinc/32/50/31/822325031.db2.gz MECVAVWZRUIEPN-FCHUYYIVSA-N 1 0 398.934 4.455 20 0 GIADRO COc1ccc(CN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c2cc3ccccc3o2)cc1F ZINC000182626275 822328152 /nfs/dbraw/zinc/32/81/52/822328152.db2.gz YBROFMNKBNXLGR-LSDHHAIUSA-N 1 0 384.451 4.278 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N[C@@H](c1nccs1)c1ccccc1)c1cc2ccccc2o1 ZINC000182630866 822330958 /nfs/dbraw/zinc/33/09/58/822330958.db2.gz WCUTZFOYYKEYQB-QVKFZJNVSA-N 1 0 391.496 4.446 20 0 GIADRO CC(C)Oc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)cc1 ZINC000178142872 822331367 /nfs/dbraw/zinc/33/13/67/822331367.db2.gz HKGIFJALBXRNEO-HUUCEWRRSA-N 1 0 379.497 4.428 20 0 GIADRO C[C@H]([NH2+]Cc1ccccc1-n1cccn1)c1ccc(OCc2nccn2C)cc1 ZINC000178145114 822332358 /nfs/dbraw/zinc/33/23/58/822332358.db2.gz WGNIAMBONSFZTL-SFHVURJKSA-N 1 0 387.487 4.036 20 0 GIADRO C[C@@H](NC(=O)NCc1csc(-c2ccccc2)n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182643011 822335417 /nfs/dbraw/zinc/33/54/17/822335417.db2.gz SZSWTHYXNIURIG-AEFFLSMTSA-N 1 0 398.576 4.262 20 0 GIADRO Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+](CCC(=O)c3ccccc3)C2)cc1 ZINC000182642545 822335590 /nfs/dbraw/zinc/33/55/90/822335590.db2.gz QTLQURSVAPJIDO-LJQANCHMSA-N 1 0 379.504 4.102 20 0 GIADRO C[C@@H](NC(=O)NCc1ccccc1OC1CCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182646913 822337610 /nfs/dbraw/zinc/33/76/10/822337610.db2.gz YZCOSCMORUZFBP-MJGOQNOKSA-N 1 0 385.552 4.070 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)N[C@@H](C)[C@@H]2COc3ccccc32)CC1 ZINC000182648507 822338023 /nfs/dbraw/zinc/33/80/23/822338023.db2.gz XPDLLEVUXTYBFR-RXVVDRJESA-N 1 0 387.568 4.095 20 0 GIADRO CCOC(=O)C1CCC([NH2+][C@H](C)[C@H](OC2CCOCC2)c2ccccc2)CC1 ZINC000182658668 822341923 /nfs/dbraw/zinc/34/19/23/822341923.db2.gz PBCNSNQFWVAFDJ-DUWHWDBVSA-N 1 0 389.536 4.023 20 0 GIADRO O=C([C@H]1CC[N@@H+](C2CCCCC2)C1)N1CCn2cccc2[C@H]1c1ccccc1 ZINC000178175951 822342476 /nfs/dbraw/zinc/34/24/76/822342476.db2.gz VFSWNGFMBNHGLE-NZQKXSOJSA-N 1 0 377.532 4.074 20 0 GIADRO c1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@H]2CCCN(c4ncccn4)C2)CCC3)cc1 ZINC000178190988 822347552 /nfs/dbraw/zinc/34/75/52/822347552.db2.gz CMMFVLSAFRSNIB-ROUUACIJSA-N 1 0 391.544 4.236 20 0 GIADRO COc1cccc2c1CC[N@H+](CCC(=O)Nc1c(Cl)cccc1Cl)C2 ZINC000182675008 822347696 /nfs/dbraw/zinc/34/76/96/822347696.db2.gz QAUOSNMRGJZKFU-UHFFFAOYSA-N 1 0 379.287 4.389 20 0 GIADRO c1ccc(-c2nc3c(s2)[C@H]([NH2+][C@H]2CCCN(c4ncccn4)C2)CCC3)cc1 ZINC000178190975 822347759 /nfs/dbraw/zinc/34/77/59/822347759.db2.gz CMMFVLSAFRSNIB-ZWKOTPCHSA-N 1 0 391.544 4.236 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+][C@H]1CCCN(c2ncccn2)C1 ZINC000178194709 822348789 /nfs/dbraw/zinc/34/87/89/822348789.db2.gz NHMGULZGDIQXLL-QAPCUYQASA-N 1 0 379.533 4.228 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@@H]2CCCN(c3ncccn3)C2)ccc1SC(F)F ZINC000178195748 822349477 /nfs/dbraw/zinc/34/94/77/822349477.db2.gz KDQUGEOVRKBBKB-UKRRQHHQSA-N 1 0 394.491 4.120 20 0 GIADRO Cc1ccccc1CN(Cc1cccnc1)C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000182683134 822350666 /nfs/dbraw/zinc/35/06/66/822350666.db2.gz FCEVESQZCDIGMO-OAQYLSRUSA-N 1 0 394.563 4.366 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1F)c1cccc(OC(F)(F)F)c1 ZINC000178203876 822351900 /nfs/dbraw/zinc/35/19/00/822351900.db2.gz JSSHBEFIQAWUPR-SECBINFHSA-N 1 0 392.299 4.292 20 0 GIADRO Cc1ccc(-n2nc(C(=O)Nc3ccc([C@H](C)[NH3+])cc3)c3c2CCC3)c(F)c1 ZINC000178211156 822353445 /nfs/dbraw/zinc/35/34/45/822353445.db2.gz XTJFAICRVNHXCR-AWEZNQCLSA-N 1 0 378.451 4.081 20 0 GIADRO COC[C@H]([NH2+]Cc1ccc(NC(=O)c2cccnc2)cc1)c1ccc(F)c(F)c1 ZINC000182699644 822354594 /nfs/dbraw/zinc/35/45/94/822354594.db2.gz YNPXPAAHRPFSCZ-NRFANRHFSA-N 1 0 397.425 4.089 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1c(F)cc(F)cc1Br)C1CCCCC1 ZINC000182701176 822355072 /nfs/dbraw/zinc/35/50/72/822355072.db2.gz UEKKUPONNZIKBH-JTQLQIEISA-N 1 0 375.257 4.224 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)Nc2ccc(-c3ncon3)cc2)CC1 ZINC000178219054 822355184 /nfs/dbraw/zinc/35/51/84/822355184.db2.gz BACLSTGYCWGABR-KRWDZBQOSA-N 1 0 397.523 4.245 20 0 GIADRO COc1ccccc1N1CCC([NH2+][C@@H](C)c2ccc(-n3ccnc3)cc2)CC1 ZINC000178231385 822356850 /nfs/dbraw/zinc/35/68/50/822356850.db2.gz PDVRFPDVLUXFOA-SFHVURJKSA-N 1 0 376.504 4.201 20 0 GIADRO Cc1ccc(CCCC(=O)N2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000178234288 822357289 /nfs/dbraw/zinc/35/72/89/822357289.db2.gz YVYAPSGMUTXXEC-NHCUHLMSSA-N 1 0 386.580 4.056 20 0 GIADRO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)CCc3ccc(Cl)s3)CC2)C[C@H](C)O1 ZINC000178239092 822357470 /nfs/dbraw/zinc/35/74/70/822357470.db2.gz VIYLAZDSENQHOD-IYBDPMFKSA-N 1 0 399.000 4.072 20 0 GIADRO O=C(Nc1cccc(Br)c1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000045027064 822358001 /nfs/dbraw/zinc/35/80/01/822358001.db2.gz HJRSAKPKGHGITK-UHFFFAOYSA-N 1 0 388.309 4.235 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000045029587 822358190 /nfs/dbraw/zinc/35/81/90/822358190.db2.gz KPPBXVVFFFKQBA-JOCHJYFZSA-N 1 0 381.495 4.337 20 0 GIADRO CN(C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCc2ccccc21 ZINC000045027153 822358227 /nfs/dbraw/zinc/35/82/27/822358227.db2.gz BATUDQGQAUIKNT-HSZRJFAPSA-N 1 0 377.532 4.370 20 0 GIADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]Cc1ccc(Cl)nc1 ZINC000178247003 822358228 /nfs/dbraw/zinc/35/82/28/822358228.db2.gz ZBRQWNYFGJFUCW-LLVKDONJSA-N 1 0 382.689 4.004 20 0 GIADRO COc1cccc([C@@H]2CCCN2C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000045029546 822358263 /nfs/dbraw/zinc/35/82/63/822358263.db2.gz ZELZREAEPVRNGP-QHCPKHFHSA-N 1 0 393.531 4.206 20 0 GIADRO CC(=O)N(Cc1ccc(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1)C(C)C ZINC000178248270 822358334 /nfs/dbraw/zinc/35/83/34/822358334.db2.gz SYBJOWRJCBFMLY-HXUWFJFHSA-N 1 0 385.552 4.037 20 0 GIADRO Cn1ccnc1[C@@H]1C[C@H]([NH2+][C@@H]2CCCOc3cc4c(cc32)CCCC4)CCO1 ZINC000453404882 822358467 /nfs/dbraw/zinc/35/84/67/822358467.db2.gz RZKAPPQHBCTLRC-UZKOGDIHSA-N 1 0 381.520 4.023 20 0 GIADRO COc1cc(F)cc(C[C@@H](C)[NH2+][C@@H](C)c2cc(OC)c(OC)c(OC)c2)c1 ZINC000453407912 822358676 /nfs/dbraw/zinc/35/86/76/822358676.db2.gz VKNMNKJTNFEOJL-KGLIPLIRSA-N 1 0 377.456 4.142 20 0 GIADRO Cc1cccc([C@H](C)[NH2+][C@@H](C)c2ccc(S(=O)(=O)NCc3ccco3)cc2)c1 ZINC000453412103 822359058 /nfs/dbraw/zinc/35/90/58/822359058.db2.gz XSBHYBJSSRQZAU-ROUUACIJSA-N 1 0 398.528 4.478 20 0 GIADRO C[C@H]1CCC[C@H](C)C1[NH2+]Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000182730933 822359088 /nfs/dbraw/zinc/35/90/88/822359088.db2.gz HXMMBWQNPBXBIJ-KBPBESRZSA-N 1 0 378.563 4.128 20 0 GIADRO CC[C@]1(C(C)C)C[C@H]1[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000453411399 822359104 /nfs/dbraw/zinc/35/91/04/822359104.db2.gz ALRZZPOKOCJHPN-USXIJHARSA-N 1 0 386.355 4.082 20 0 GIADRO Cc1cccc([C@H](C)[NH2+][C@H](C)c2ccc(S(=O)(=O)NCc3ccco3)cc2)c1 ZINC000453412100 822359135 /nfs/dbraw/zinc/35/91/35/822359135.db2.gz XSBHYBJSSRQZAU-MSOLQXFVSA-N 1 0 398.528 4.478 20 0 GIADRO C[C@H]1C[NH+](CCC2CCN(C(=O)CCc3cc(Cl)cs3)CC2)C[C@H](C)O1 ZINC000178255668 822359240 /nfs/dbraw/zinc/35/92/40/822359240.db2.gz VDCCMQFRYITWFH-HOTGVXAUSA-N 1 0 399.000 4.072 20 0 GIADRO CC[C@H]([NH2+][C@H](C)c1sc(C)nc1C)c1ccccc1OCC(=O)N(C)C ZINC000178259333 822359985 /nfs/dbraw/zinc/35/99/85/822359985.db2.gz BUPRLJRQSXQWOX-PBHICJAKSA-N 1 0 375.538 4.029 20 0 GIADRO C[C@@H]1C[NH+](CCC2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)C[C@@H](C)O1 ZINC000178258548 822360106 /nfs/dbraw/zinc/36/01/06/822360106.db2.gz UZDNLKUUWWUIJZ-HZPDHXFCSA-N 1 0 398.469 4.057 20 0 GIADRO C[C@@]1(C[NH2+][C@@H](c2ccc(F)cc2)c2ccc(C(F)(F)F)cc2)CCC(=O)N1 ZINC000453420397 822360357 /nfs/dbraw/zinc/36/03/57/822360357.db2.gz LNQFANMBEFAHOW-MOPGFXCFSA-N 1 0 380.385 4.192 20 0 GIADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCC1CC(F)(F)C1 ZINC000453422640 822360689 /nfs/dbraw/zinc/36/06/89/822360689.db2.gz MYJBSSADZDHYCN-LLVKDONJSA-N 1 0 375.257 4.191 20 0 GIADRO O=S1(=O)CCC[C@@H]([NH2+]Cc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)C1 ZINC000182745603 822361313 /nfs/dbraw/zinc/36/13/13/822361313.db2.gz CPYKZSCJECPYQW-MRXNPFEDSA-N 1 0 399.434 4.165 20 0 GIADRO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CC1CCOCC1 ZINC000178281271 822362795 /nfs/dbraw/zinc/36/27/95/822362795.db2.gz XGAOAFPEZHPJBS-LLVKDONJSA-N 1 0 378.822 4.092 20 0 GIADRO CC[NH+](CC)CCCC1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000182761109 822363651 /nfs/dbraw/zinc/36/36/51/822363651.db2.gz MVJMJFULIHOFAY-UHFFFAOYSA-N 1 0 399.501 4.478 20 0 GIADRO O=C(c1ccc(Br)c(Cl)c1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000178307854 822365900 /nfs/dbraw/zinc/36/59/00/822365900.db2.gz XUDKSSLUAKQQEX-UHFFFAOYSA-N 1 0 385.733 4.193 20 0 GIADRO Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(SCC(F)F)cc1 ZINC000453452947 822366323 /nfs/dbraw/zinc/36/63/23/822366323.db2.gz SONPUXCXVPJZNZ-OCCSQVGLSA-N 1 0 379.476 4.425 20 0 GIADRO Cc1nc([C@H](C)[N@@H+]2CCC[C@H](C3OCCO3)C2)oc1-c1ccc(Cl)cc1 ZINC000178315340 822366461 /nfs/dbraw/zinc/36/64/61/822366461.db2.gz PAGFOTCHUUAASL-HOCLYGCPSA-N 1 0 376.884 4.449 20 0 GIADRO O=C(Nc1c(F)cc(Cl)cc1F)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000182793638 822368346 /nfs/dbraw/zinc/36/83/46/822368346.db2.gz BIQLIDHEVUDAPF-UHFFFAOYSA-N 1 0 393.865 4.447 20 0 GIADRO CCC[C@@H]1CN(C(=O)Nc2ccc(NC(C)=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000182796077 822368728 /nfs/dbraw/zinc/36/87/28/822368728.db2.gz IUAARCLRVJENTQ-JOCHJYFZSA-N 1 0 394.519 4.163 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCC1)N(Cc1ccco1)Cc1ccco1 ZINC000045192347 822369416 /nfs/dbraw/zinc/36/94/16/822369416.db2.gz PWAIWWCSYIIIGS-UHFFFAOYSA-N 1 0 393.487 4.380 20 0 GIADRO COCCOc1ccc([C@H](C)Nc2cccc(C[NH+]3CCSCC3)c2)cc1 ZINC000182804089 822370374 /nfs/dbraw/zinc/37/03/74/822370374.db2.gz ULOWUMOQBPJTOB-SFHVURJKSA-N 1 0 386.561 4.434 20 0 GIADRO CCN(C(=O)Cc1ccc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1)c1ccccc1 ZINC000182806211 822370763 /nfs/dbraw/zinc/37/07/63/822370763.db2.gz DFCALTWUYILRIV-JTHBVZDNSA-N 1 0 377.532 4.321 20 0 GIADRO COc1ccc(OC)c([C@@H](C)[NH2+][C@H](C)c2ccc(OCc3nccn3C)cc2)c1 ZINC000178356280 822370905 /nfs/dbraw/zinc/37/09/05/822370905.db2.gz WCNKCPTXXKYTPT-IAGOWNOFSA-N 1 0 395.503 4.428 20 0 GIADRO CCCC[C@H]([NH2+][C@H](C)c1cn(C)nc1C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000178362197 822371259 /nfs/dbraw/zinc/37/12/59/822371259.db2.gz BCEZSTOZEZXCOC-VGSWGCGISA-N 1 0 397.567 4.177 20 0 GIADRO NC(=O)N1CCC([NH2+]Cc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)CC1 ZINC000178404543 822375868 /nfs/dbraw/zinc/37/58/68/822375868.db2.gz RESSXPBZRQXHIP-UHFFFAOYSA-N 1 0 393.409 4.130 20 0 GIADRO C[N@H+](Cc1ccc(OCc2ccncc2)cc1)Cc1ccc([S@](C)=O)cc1 ZINC000178437006 822378810 /nfs/dbraw/zinc/37/88/10/822378810.db2.gz JLZDNWUMQVEBAD-MHZLTWQESA-N 1 0 380.513 4.030 20 0 GIADRO COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@@H](C)c3ccc4ccccc4n3)C2)c1 ZINC000178443791 822379632 /nfs/dbraw/zinc/37/96/32/822379632.db2.gz LYKKZBPBWKDKQW-ZWKOTPCHSA-N 1 0 391.515 4.429 20 0 GIADRO Cc1cccc([C@@H]2CCCN2C(=O)NCc2ccccc2C[NH+]2CCCC2)n1 ZINC000178457179 822380772 /nfs/dbraw/zinc/38/07/72/822380772.db2.gz WYHHNMGYLKHBCN-QFIPXVFZSA-N 1 0 378.520 4.033 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCSc2ccc(F)cc21)c1ccc(NS(C)(=O)=O)cc1 ZINC000178461332 822381208 /nfs/dbraw/zinc/38/12/08/822381208.db2.gz LBZHBAITMIFSSI-SJKOYZFVSA-N 1 0 380.510 4.085 20 0 GIADRO CC[C@@H]([NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1)c1ccc2c(c1)OCCO2 ZINC000178479617 822383507 /nfs/dbraw/zinc/38/35/07/822383507.db2.gz ZHQQWRJHUPOUNN-OXJNMPFZSA-N 1 0 380.488 4.387 20 0 GIADRO COc1cc([C@@H](C)[NH2+]Cc2ccc(NC(=O)C(C)C)cc2)cc(OC)c1OC ZINC000178479263 822383536 /nfs/dbraw/zinc/38/35/36/822383536.db2.gz SBXGUMZISDXKGR-OAHLLOKOSA-N 1 0 386.492 4.158 20 0 GIADRO CC[C@@H]([NH2+][C@@H](C)c1ccc(OC)c(NC(C)=O)c1)c1ccc2c(c1)OCCO2 ZINC000178480197 822383721 /nfs/dbraw/zinc/38/37/21/822383721.db2.gz ZRSJRYMBTWHRLD-KBXCAEBGSA-N 1 0 384.476 4.227 20 0 GIADRO CSc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1F ZINC000178487811 822384438 /nfs/dbraw/zinc/38/44/38/822384438.db2.gz ILJWTALOWNTFTM-UONOGXRCSA-N 1 0 396.553 4.210 20 0 GIADRO O=C(NC1CC[NH+](C2CC2)CC1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000045410083 822385643 /nfs/dbraw/zinc/38/56/43/822385643.db2.gz OGRDADDZYXUBQF-UHFFFAOYSA-N 1 0 381.442 4.006 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)NCCc2cccc3cccnc32)c1 ZINC000045410861 822385788 /nfs/dbraw/zinc/38/57/88/822385788.db2.gz SAOALVSUZARRFA-UHFFFAOYSA-N 1 0 390.531 4.119 20 0 GIADRO CCC[C@@H]([NH2+][C@H](C)c1ccc2c(c1)CCO2)C(=O)N1CCc2sccc2C1 ZINC000178503299 822385922 /nfs/dbraw/zinc/38/59/22/822385922.db2.gz DCDAIJZIJLLBFX-DNVCBOLYSA-N 1 0 384.545 4.087 20 0 GIADRO COc1ccccc1-c1ncc(C[NH2+][C@@H](c2cccs2)C(C)(C)CO)cn1 ZINC000453573714 822386467 /nfs/dbraw/zinc/38/64/67/822386467.db2.gz HGNIYBVDTCDGSY-IBGZPJMESA-N 1 0 383.517 4.063 20 0 GIADRO CCOC(=O)Nc1ccc(NC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000182892483 822387498 /nfs/dbraw/zinc/38/74/98/822387498.db2.gz QUHZWFTUDOFSBL-HZPDHXFCSA-N 1 0 388.512 4.030 20 0 GIADRO OC1CC[NH+](CCCN[C@@H](Cc2ccc(F)cc2)c2ccccc2Cl)CC1 ZINC000178522786 822387685 /nfs/dbraw/zinc/38/76/85/822387685.db2.gz FWGBHJDLGCSWBS-QFIPXVFZSA-N 1 0 390.930 4.199 20 0 GIADRO Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]CCCc2nnc3n2CCCCC3)c1 ZINC000178525268 822387830 /nfs/dbraw/zinc/38/78/30/822387830.db2.gz HKWIMMRCOMRFKZ-OAHLLOKOSA-N 1 0 378.467 4.198 20 0 GIADRO C[C@H]([NH2+]CCCc1nnc2n1CCCCC2)c1ccccc1OC(F)(F)F ZINC000178524834 822387954 /nfs/dbraw/zinc/38/79/54/822387954.db2.gz ZSXWCBRDMDUTDI-AWEZNQCLSA-N 1 0 382.430 4.187 20 0 GIADRO CCOc1cc(C[NH2+]C[C@@H]2CCOC(C)(C)C2)ccc1OCC(F)(F)F ZINC000453580750 822387890 /nfs/dbraw/zinc/38/78/90/822387890.db2.gz LGGJTVMEZXUZOB-OAHLLOKOSA-N 1 0 375.431 4.321 20 0 GIADRO Fc1ccc(-n2nccc2C[NH+]2CCC3(CC2)OCCc2ccccc23)cc1 ZINC000453581948 822388204 /nfs/dbraw/zinc/38/82/04/822388204.db2.gz WCCVGNABLVCBJG-UHFFFAOYSA-N 1 0 377.463 4.075 20 0 GIADRO FC(F)(F)Oc1ccc2c(c1)[C@@H]([NH2+]CCCc1nnc3n1CCCCC3)CC2 ZINC000178529303 822388386 /nfs/dbraw/zinc/38/83/86/822388386.db2.gz UAQGYJVMGMPIPW-KRWDZBQOSA-N 1 0 394.441 4.113 20 0 GIADRO [NH3+]C[C@H](C(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21)c1ccccc1 ZINC000178530792 822388472 /nfs/dbraw/zinc/38/84/72/822388472.db2.gz DEYVZYYGMRNFJZ-ZWKOTPCHSA-N 1 0 395.503 4.185 20 0 GIADRO C[C@@H](NC(=O)CSc1nccc2ccccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182898187 822388520 /nfs/dbraw/zinc/38/85/20/822388520.db2.gz LJWYSYYHRBPZHS-AEFFLSMTSA-N 1 0 383.561 4.096 20 0 GIADRO Cc1ccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c(C)n1 ZINC000178533436 822388739 /nfs/dbraw/zinc/38/87/39/822388739.db2.gz QBJSRLJSMDSYLM-RBBKRZOGSA-N 1 0 378.520 4.217 20 0 GIADRO CC1(C)C[C@@H](C[NH2+]Cc2cccc(Br)c2OC(F)F)CCO1 ZINC000453587051 822389153 /nfs/dbraw/zinc/38/91/53/822389153.db2.gz WHEHQTBSQYDEHQ-NSHDSACASA-N 1 0 378.257 4.345 20 0 GIADRO C[C@H](NC(=O)Nc1ccccc1N1CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182902493 822389456 /nfs/dbraw/zinc/38/94/56/822389456.db2.gz BTWAYDTZTWOMQC-RBUKOAKNSA-N 1 0 384.568 4.451 20 0 GIADRO C[C@H](O)c1ccc(C[NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)cc1 ZINC000178543532 822390078 /nfs/dbraw/zinc/39/00/78/822390078.db2.gz RNRPMNKWCYFBGZ-KBPBESRZSA-N 1 0 391.309 4.009 20 0 GIADRO CC(C)(C)OC(=O)NCCCOC1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000178543956 822390176 /nfs/dbraw/zinc/39/01/76/822390176.db2.gz SZWLOVMVIGHSPP-UHFFFAOYSA-N 1 0 388.508 4.329 20 0 GIADRO COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]CCc2ccc(C)cn2)c1 ZINC000453594365 822390364 /nfs/dbraw/zinc/39/03/64/822390364.db2.gz BICLSXXHXABZOL-UHFFFAOYSA-N 1 0 378.520 4.349 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000182907385 822390396 /nfs/dbraw/zinc/39/03/96/822390396.db2.gz VTWYMTMFZGMBSN-KRWDZBQOSA-N 1 0 376.504 4.395 20 0 GIADRO COc1ccc([C@H](C[NH+](C)C)NCc2sc(C)cc2Br)cc1 ZINC000453600617 822391280 /nfs/dbraw/zinc/39/12/80/822391280.db2.gz QMOCKZJPYIMBRV-INIZCTEOSA-N 1 0 383.355 4.220 20 0 GIADRO C[C@H](NC(=O)N1CCc2[nH]c3ccc(F)cc3c2C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182912579 822391542 /nfs/dbraw/zinc/39/15/42/822391542.db2.gz MFFTXEUWZYWALU-HOTGVXAUSA-N 1 0 398.526 4.028 20 0 GIADRO CCOCCO[C@H]1CC[N@H+](CCSc2ccnc3cc(Cl)ccc32)C1 ZINC000182921461 822393158 /nfs/dbraw/zinc/39/31/58/822393158.db2.gz DKHSWRUFMLGGQQ-INIZCTEOSA-N 1 0 380.941 4.108 20 0 GIADRO CCc1nc(C)c([C@H](C)N(C)C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)s1 ZINC000182925204 822393927 /nfs/dbraw/zinc/39/39/27/822393927.db2.gz HEQGRWBXTRZXNA-BHYGNILZSA-N 1 0 392.613 4.369 20 0 GIADRO Cc1cc(C)n(-c2cccc(NC(=O)N[C@@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)c2)n1 ZINC000182926087 822394199 /nfs/dbraw/zinc/39/41/99/822394199.db2.gz DGUWRVZSLIIRKX-OALUTQOASA-N 1 0 395.551 4.264 20 0 GIADRO Cc1cc(C)n(-c2cccc(NC(=O)N[C@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)c2)n1 ZINC000182926063 822394218 /nfs/dbraw/zinc/39/42/18/822394218.db2.gz DGUWRVZSLIIRKX-RTBURBONSA-N 1 0 395.551 4.264 20 0 GIADRO CCOc1c(OC)cc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCCC2)cc1OC ZINC000453620068 822394342 /nfs/dbraw/zinc/39/43/42/822394342.db2.gz SFTGUUUHPIBAAZ-QHCPKHFHSA-N 1 0 399.531 4.486 20 0 GIADRO COc1ccc(CC[NH2+][C@@H](C)c2ccc(OCc3nccn3C)cc2)cc1F ZINC000178594174 822394606 /nfs/dbraw/zinc/39/46/06/822394606.db2.gz NSXCJRPSVSAHDM-INIZCTEOSA-N 1 0 383.467 4.040 20 0 GIADRO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000453621149 822394648 /nfs/dbraw/zinc/39/46/48/822394648.db2.gz UBFGTFDPRMGJMG-JLTOFOAXSA-N 1 0 399.922 4.047 20 0 GIADRO CC(C)[C@@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)NC(C)(C)c3ccccc3)c2C1 ZINC000453622386 822394798 /nfs/dbraw/zinc/39/47/98/822394798.db2.gz BGQVNKDZCHHRRS-QGZVFWFLSA-N 1 0 393.531 4.037 20 0 GIADRO Cc1cccc(C)c1OC[C@@H](C)[NH2+][C@H](C)CC(=O)Nc1cccnc1Cl ZINC000178597094 822395056 /nfs/dbraw/zinc/39/50/56/822395056.db2.gz GNICKZACAFJPSN-HZPDHXFCSA-N 1 0 375.900 4.126 20 0 GIADRO Cc1ccc(NC(=O)NC(=O)[C@@H](C)[NH+]2CCC(c3ccccc3)CC2)c(C)c1 ZINC000045548761 822395059 /nfs/dbraw/zinc/39/50/59/822395059.db2.gz AFJZTHWRABOEFK-GOSISDBHSA-N 1 0 379.504 4.220 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)[C@@H](C)c1nc2ccccc2s1)C(=O)NCCc1ccccc1 ZINC000453624793 822395122 /nfs/dbraw/zinc/39/51/22/822395122.db2.gz JWPNWGPELGCUCV-IXDOHACOSA-N 1 0 381.545 4.125 20 0 GIADRO Cc1ccc2oc(C(=O)N3CC[C@H]4[C@H](CCC[N@@H+]4Cc4ccccc4)C3)cc2n1 ZINC000178599714 822395296 /nfs/dbraw/zinc/39/52/96/822395296.db2.gz FNQUXVYXSMHTKR-CTNGQTDRSA-N 1 0 389.499 4.263 20 0 GIADRO CON1CCC([N@H+](C)Cc2cn(C(C)(C)C)nc2-c2ccccc2Cl)CC1 ZINC000453627365 822395358 /nfs/dbraw/zinc/39/53/58/822395358.db2.gz VKASAKSZVCIRBL-UHFFFAOYSA-N 1 0 390.959 4.416 20 0 GIADRO Cc1nc(C)c([C@H](C)N(C)C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)s1 ZINC000182937545 822396226 /nfs/dbraw/zinc/39/62/26/822396226.db2.gz DFJPVTFNJOOQKU-UKPHBRMFSA-N 1 0 378.586 4.115 20 0 GIADRO Brc1ccc2c(c1)[C@@H]([NH2+]CCCOCC1CCOCC1)CCCO2 ZINC000178612526 822396231 /nfs/dbraw/zinc/39/62/31/822396231.db2.gz KWSWIHQIWLYECZ-SFHVURJKSA-N 1 0 398.341 4.086 20 0 GIADRO COc1cccc([C@H](O)C[N@H+](CCc2scnc2C)Cc2ccccc2)c1 ZINC000178620054 822396738 /nfs/dbraw/zinc/39/67/38/822396738.db2.gz CQFMEGSDLWIWOD-OAQYLSRUSA-N 1 0 382.529 4.238 20 0 GIADRO Cc1ccccc1OCCCN(C)C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182941316 822396963 /nfs/dbraw/zinc/39/69/63/822396963.db2.gz MDYFFBLMLWHFOC-VQTJNVASSA-N 1 0 387.568 4.058 20 0 GIADRO Cc1nn(C)cc1[C@H](C)[NH2+]Cc1ccccc1-c1ccc(Cn2ccnc2)cc1 ZINC000178626698 822397459 /nfs/dbraw/zinc/39/74/59/822397459.db2.gz UEIOXGRCEVISEU-SFHVURJKSA-N 1 0 385.515 4.491 20 0 GIADRO CC1(C)C[C@H]([NH2+]Cc2cccc(C(=O)NC[C@H]3CCCO3)c2)c2ccccc21 ZINC000178639955 822398713 /nfs/dbraw/zinc/39/87/13/822398713.db2.gz WJLMOTNSQGNJIU-KNQAVFIVSA-N 1 0 378.516 4.108 20 0 GIADRO C[C@@H](NC(=O)N(Cc1ccco1)Cc1ccco1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182952054 822398980 /nfs/dbraw/zinc/39/89/80/822398980.db2.gz ZYFAVUJIIVCQPL-MSOLQXFVSA-N 1 0 385.508 4.237 20 0 GIADRO O=C(CC1CCC(C(F)(F)F)CC1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000182955562 822399521 /nfs/dbraw/zinc/39/95/21/822399521.db2.gz LDGWIAAIZCZXSW-UHFFFAOYSA-N 1 0 382.470 4.480 20 0 GIADRO C[C@@H]([NH2+]C[C@H](CCO)c1ccccc1)c1ccc(I)cc1 ZINC000178654430 822399939 /nfs/dbraw/zinc/39/99/39/822399939.db2.gz BFCOFLYOPJWZLW-PBHICJAKSA-N 1 0 395.284 4.108 20 0 GIADRO C[N@H+](CCCNC(=O)COc1cc(Cl)ccc1Cl)Cc1ccccc1 ZINC000045621070 822401002 /nfs/dbraw/zinc/40/10/02/822401002.db2.gz YOEPZODZPPOWTN-UHFFFAOYSA-N 1 0 381.303 4.011 20 0 GIADRO C[C@@](O)(C[NH2+][C@H]1CCCOc2ccc(Br)cc21)c1ccsc1 ZINC000178674687 822401771 /nfs/dbraw/zinc/40/17/71/822401771.db2.gz OCFHDRMXXIJRTK-DOTOQJQBSA-N 1 0 382.323 4.222 20 0 GIADRO C[C@@](O)(C[NH2+][C@@H]1CCCOc2ccc(Br)cc21)c1ccsc1 ZINC000178674660 822401792 /nfs/dbraw/zinc/40/17/92/822401792.db2.gz OCFHDRMXXIJRTK-NVXWUHKLSA-N 1 0 382.323 4.222 20 0 GIADRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)NCCc2ccco2)cc1 ZINC000045639617 822401880 /nfs/dbraw/zinc/40/18/80/822401880.db2.gz LSAUFKWQBADYOH-UHFFFAOYSA-N 1 0 377.488 4.050 20 0 GIADRO C/C(=C\C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1)c1cccc(Cl)c1 ZINC000178679597 822402278 /nfs/dbraw/zinc/40/22/78/822402278.db2.gz GJQQMRUDVZTOPL-FYPAKXHLSA-N 1 0 383.923 4.480 20 0 GIADRO CCOc1ccccc1NC(=O)CC[N@H+](C)Cc1ccc(Br)s1 ZINC000178678642 822402291 /nfs/dbraw/zinc/40/22/91/822402291.db2.gz SBUNNIBEWYBPPJ-UHFFFAOYSA-N 1 0 397.338 4.370 20 0 GIADRO CCN(CC)C(=O)c1cccc(NC(=O)C[NH2+][C@H](C)c2cc(C)sc2C)c1 ZINC000182979623 822403711 /nfs/dbraw/zinc/40/37/11/822403711.db2.gz WEVRHJYDDRQPCQ-OAHLLOKOSA-N 1 0 387.549 4.136 20 0 GIADRO C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000178703279 822404091 /nfs/dbraw/zinc/40/40/91/822404091.db2.gz BJYVGTZIUSJRDL-MRXNPFEDSA-N 1 0 389.927 4.100 20 0 GIADRO CCOc1cc(C[NH2+][C@@H](C)c2cc(C)sc2C)nc2nc(C(F)(F)F)nn21 ZINC000182981081 822404135 /nfs/dbraw/zinc/40/41/35/822404135.db2.gz GSOIBQPSFQCTSY-JTQLQIEISA-N 1 0 399.442 4.071 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@H](c2ccccc2)c2ccncc2)cc1 ZINC000178704163 822404263 /nfs/dbraw/zinc/40/42/63/822404263.db2.gz ZNDNBCLULCTYID-HTAPYJJXSA-N 1 0 395.528 4.283 20 0 GIADRO C[NH+]1CCC(NC(=O)Nc2cc(C(C)(C)C)nn2-c2cccc(Cl)c2)CC1 ZINC000045690447 822405476 /nfs/dbraw/zinc/40/54/76/822405476.db2.gz LOELWDZNOGCSCE-UHFFFAOYSA-N 1 0 389.931 4.039 20 0 GIADRO CCOc1ccc([C@@H](CC)[NH2+]Cc2ccc(-n3cncn3)cc2)cc1OCC ZINC000178743675 822406752 /nfs/dbraw/zinc/40/67/52/822406752.db2.gz SJHLDQAZKUUWIE-HXUWFJFHSA-N 1 0 380.492 4.306 20 0 GIADRO C[C@H]1C[C@H]([NH2+]Cc2ccc(-n3cncn3)cc2)c2cccc(Br)c21 ZINC000178743153 822406768 /nfs/dbraw/zinc/40/67/68/822406768.db2.gz UNUWXTYVOJDFJK-UGSOOPFHSA-N 1 0 383.293 4.368 20 0 GIADRO O=C(N[C@H](C[C@@H]1CCOC1)c1ccccc1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000178747305 822406999 /nfs/dbraw/zinc/40/69/99/822406999.db2.gz KKFXYITWLNUABY-NZQKXSOJSA-N 1 0 399.579 4.108 20 0 GIADRO O=C(NC[C@H]1CCC[NH2+]1)c1oc2ccccc2c1CSc1ccccc1F ZINC000178779752 822409182 /nfs/dbraw/zinc/40/91/82/822409182.db2.gz FUWLQYSODBABBH-CQSZACIVSA-N 1 0 384.476 4.346 20 0 GIADRO CC(C)Oc1ccc([C@H](C)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)cc1 ZINC000183004325 822409359 /nfs/dbraw/zinc/40/93/59/822409359.db2.gz XBVKTPNREFZXDQ-HTAPYJJXSA-N 1 0 381.520 4.097 20 0 GIADRO COC(=O)c1cc(C[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)c(C)s1 ZINC000183006330 822409997 /nfs/dbraw/zinc/40/99/97/822409997.db2.gz CDAPFIJKYFOEDK-LBPRGKRZSA-N 1 0 387.480 4.327 20 0 GIADRO CCc1cccc(C)c1NC(=O)C[NH2+][C@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000183006068 822410078 /nfs/dbraw/zinc/41/00/78/822410078.db2.gz SUUMRKWIBUCZQX-MRXNPFEDSA-N 1 0 394.494 4.480 20 0 GIADRO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000045755753 822410630 /nfs/dbraw/zinc/41/06/30/822410630.db2.gz CQZZLXZEKXWKKG-INIZCTEOSA-N 1 0 386.927 4.102 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)N2CCc3sccc3[C@H]2C)CC1 ZINC000045756600 822410795 /nfs/dbraw/zinc/41/07/95/822410795.db2.gz LZXZOWUHJHPMCA-QGZVFWFLSA-N 1 0 383.561 4.350 20 0 GIADRO Cc1nc(C(C)C)sc1[C@H](C)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000183011873 822411095 /nfs/dbraw/zinc/41/10/95/822411095.db2.gz GHAXMNIPSATUNK-KBXCAEBGSA-N 1 0 386.565 4.198 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(CO)c(F)c1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000178801144 822411526 /nfs/dbraw/zinc/41/15/26/822411526.db2.gz TVJQIADJHYJOFK-DNVCBOLYSA-N 1 0 391.458 4.256 20 0 GIADRO CC(C)C[C@H](Cc1cccc(Br)c1)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000178808353 822412368 /nfs/dbraw/zinc/41/23/68/822412368.db2.gz AWVDQYKIMVYDSI-MAUKXSAKSA-N 1 0 395.385 4.240 20 0 GIADRO C[C@@H]([NH3+])C1CCN(C(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)CC1 ZINC000178810073 822412637 /nfs/dbraw/zinc/41/26/37/822412637.db2.gz CWDQQQNPGUPWRI-MRXNPFEDSA-N 1 0 375.472 4.208 20 0 GIADRO Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000178809248 822412678 /nfs/dbraw/zinc/41/26/78/822412678.db2.gz JNXVRKJBXJGKGZ-SFHVURJKSA-N 1 0 388.515 4.047 20 0 GIADRO Cc1noc(C)c1CN(C)C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000045780064 822412834 /nfs/dbraw/zinc/41/28/34/822412834.db2.gz CBVZYMUJFXRPMJ-MRXNPFEDSA-N 1 0 384.524 4.007 20 0 GIADRO C[C@H]([NH3+])C1CCN(C(=O)c2cccnc2Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000178814326 822413263 /nfs/dbraw/zinc/41/32/63/822413263.db2.gz WZKASQSMDXQAPP-LBPRGKRZSA-N 1 0 393.318 4.331 20 0 GIADRO Cn1cc(C[NH+]2CCC(C(=O)Nc3ccc(F)cc3)CC2)c(C2CCCCC2)n1 ZINC000183037875 822415605 /nfs/dbraw/zinc/41/56/05/822415605.db2.gz KLTYTYBIERJXDT-UHFFFAOYSA-N 1 0 398.526 4.458 20 0 GIADRO Cc1ccc(F)cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000045812855 822415710 /nfs/dbraw/zinc/41/57/10/822415710.db2.gz QLUYWOOWPCOOON-CABCVRRESA-N 1 0 383.467 4.160 20 0 GIADRO C[C@@H]([NH3+])C1CCN(C(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)CC1 ZINC000178851639 822416512 /nfs/dbraw/zinc/41/65/12/822416512.db2.gz JKHUDKQBKRXPIQ-LLVKDONJSA-N 1 0 398.359 4.245 20 0 GIADRO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1 ZINC000183048317 822417237 /nfs/dbraw/zinc/41/72/37/822417237.db2.gz XQLPYOADVVSINX-DNVFCKCGSA-N 1 0 391.559 4.349 20 0 GIADRO CC(C)(C)[NH+]1CCC(Nc2ccc(CC(=O)N3CCc4ccccc43)cc2)CC1 ZINC000183051034 822417741 /nfs/dbraw/zinc/41/77/41/822417741.db2.gz LYJUSJHACBIUEU-UHFFFAOYSA-N 1 0 391.559 4.493 20 0 GIADRO C[C@@H](Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1nc2c(s1)CCCC2 ZINC000183074485 822420917 /nfs/dbraw/zinc/42/09/17/822420917.db2.gz IOAFWPBZFUUSQK-MRXNPFEDSA-N 1 0 385.577 4.399 20 0 GIADRO COCCOc1ccc([C@H](C)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)cc1 ZINC000183077243 822421413 /nfs/dbraw/zinc/42/14/13/822421413.db2.gz QCCDOXCLOQRENY-IBGZPJMESA-N 1 0 398.547 4.089 20 0 GIADRO CC[NH+]1CCC(N(C)C(=O)c2sc(-c3cccc(Cl)c3)nc2C)CC1 ZINC000045907742 822423177 /nfs/dbraw/zinc/42/31/77/822423177.db2.gz XSUHZZDUMZNZEO-UHFFFAOYSA-N 1 0 377.941 4.328 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(CO)cc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000183102502 822424660 /nfs/dbraw/zinc/42/46/60/822424660.db2.gz WMKOIJBNGMDQFM-MRXNPFEDSA-N 1 0 378.447 4.421 20 0 GIADRO COCc1noc([C@H](C)[NH2+]CC2(c3cccc(Br)c3)CCCC2)n1 ZINC000183105614 822425255 /nfs/dbraw/zinc/42/52/55/822425255.db2.gz NUBOUQIMGRPRIT-ZDUSSCGKSA-N 1 0 394.313 4.141 20 0 GIADRO C[NH2+]C[C@@H]1CCN(C(=O)c2c3c(nc4ccccc42)/C(=C\c2ccccc2)CC3)C1 ZINC000178969774 822425456 /nfs/dbraw/zinc/42/54/56/822425456.db2.gz HFMFMXRHPGNVMT-RVPSJEOCSA-N 1 0 397.522 4.403 20 0 GIADRO CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)c2ccc(C[NH+](CC)CC)cc2)c1 ZINC000045940680 822425718 /nfs/dbraw/zinc/42/57/18/822425718.db2.gz OUPCRDPXDRXMJV-GOSISDBHSA-N 1 0 395.547 4.443 20 0 GIADRO O=C(C[NH+]1CCCCCC1)Nc1ccc(NC(=O)c2cc3ccccc3[nH]2)cc1 ZINC000045941423 822425726 /nfs/dbraw/zinc/42/57/26/822425726.db2.gz VKBRNRXDLPUGNX-UHFFFAOYSA-N 1 0 390.487 4.235 20 0 GIADRO O=C(C[NH+]1CCCCCC1)Nc1ccc(NC(=O)c2ccc(F)cc2F)cc1 ZINC000045941782 822425947 /nfs/dbraw/zinc/42/59/47/822425947.db2.gz QDVDENGIOMZKMF-UHFFFAOYSA-N 1 0 387.430 4.032 20 0 GIADRO C[C@H]1CCN(C(=O)c2cnc3ccc(F)cc3c2)CC[N@@H+]1Cc1ccccc1 ZINC000178986499 822426685 /nfs/dbraw/zinc/42/66/85/822426685.db2.gz XODGDQQKNVTGAI-KRWDZBQOSA-N 1 0 377.463 4.111 20 0 GIADRO Cc1cccc([C@@H](C)NC(=O)C(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000454084482 822427500 /nfs/dbraw/zinc/42/75/00/822427500.db2.gz IIMAABYLOGOFOT-RBUKOAKNSA-N 1 0 393.531 4.043 20 0 GIADRO COc1ccccc1NC(=O)C1CC[NH+](Cc2cccc3cnccc32)CC1 ZINC000183122824 822427524 /nfs/dbraw/zinc/42/75/24/822427524.db2.gz JITAUETXNKSGAG-UHFFFAOYSA-N 1 0 375.472 4.094 20 0 GIADRO C[NH+](C)Cc1ccccc1CNC(=O)c1cc(-c2ccccn2)ccc1Cl ZINC000178995004 822427551 /nfs/dbraw/zinc/42/75/51/822427551.db2.gz CNCBWSMRSDYPHW-UHFFFAOYSA-N 1 0 379.891 4.394 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)N(C)CCCc3ccccc3)c(C)c2)CC1 ZINC000045976460 822428660 /nfs/dbraw/zinc/42/86/60/822428660.db2.gz ONZROQPMYXASJX-UHFFFAOYSA-N 1 0 394.563 4.233 20 0 GIADRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)Nc2cc(-c3cccnc3)[nH]n2)c1 ZINC000179002356 822428671 /nfs/dbraw/zinc/42/86/71/822428671.db2.gz NKCYBRKSWCKKQO-UHFFFAOYSA-N 1 0 397.482 4.356 20 0 GIADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)Nc2ccc3ncsc3c2)CC1 ZINC000179005564 822428769 /nfs/dbraw/zinc/42/87/69/822428769.db2.gz NQAUFEITHXRHBA-CQSZACIVSA-N 1 0 381.505 4.038 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cc(F)ccc2F)cc1 ZINC000183142942 822430512 /nfs/dbraw/zinc/43/05/12/822430512.db2.gz RBFIDHNVMQZFMT-ZIAGYGMSSA-N 1 0 384.430 4.137 20 0 GIADRO C[NH2+]C[C@H]1CCN(C(=O)c2sc3cccc(F)c3c2COc2ccccc2)C1 ZINC000179024492 822430979 /nfs/dbraw/zinc/43/09/79/822430979.db2.gz MMANTUYPDXTJFE-OAHLLOKOSA-N 1 0 398.503 4.301 20 0 GIADRO C[NH2+]C[C@@H]1CCN(C(=O)c2sc3cccc(F)c3c2COc2ccccc2)C1 ZINC000179024479 822431001 /nfs/dbraw/zinc/43/10/01/822431001.db2.gz MMANTUYPDXTJFE-HNNXBMFYSA-N 1 0 398.503 4.301 20 0 GIADRO CN(C)c1cccc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)n1 ZINC000179031444 822431581 /nfs/dbraw/zinc/43/15/81/822431581.db2.gz IDARCYAHIDQNQW-UHFFFAOYSA-N 1 0 383.499 4.290 20 0 GIADRO Cc1cc(C)c(NC(=O)CCC[NH2+][C@@H](C[S@@](C)=O)c2ccccc2)c(C)c1 ZINC000183149638 822431716 /nfs/dbraw/zinc/43/17/16/822431716.db2.gz WNFAZFGKJJZYMU-CCLHPLFOSA-N 1 0 386.561 4.040 20 0 GIADRO CC1(C)CN(C(=O)NCc2ccco2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000454130251 822431917 /nfs/dbraw/zinc/43/19/17/822431917.db2.gz GUENWIFVNYRQOI-NRFANRHFSA-N 1 0 381.520 4.112 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCc1ccnc(Oc2ccccc2)c1 ZINC000045997310 822432333 /nfs/dbraw/zinc/43/23/33/822432333.db2.gz WIOJLMIQUUGNJV-LJQANCHMSA-N 1 0 396.535 4.328 20 0 GIADRO COc1ccc(C[NH+]2CCC(c3nc(-c4ccccn4)no3)CC2)cc1Cl ZINC000179041218 822432717 /nfs/dbraw/zinc/43/27/17/822432717.db2.gz OSNSDRRHSYOHEM-UHFFFAOYSA-N 1 0 384.867 4.173 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)NCc2ccnc(OCc3ccccc3)c2)c1 ZINC000046008028 822433977 /nfs/dbraw/zinc/43/39/77/822433977.db2.gz FNWCYPPGJXZMNS-UHFFFAOYSA-N 1 0 390.487 4.044 20 0 GIADRO C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000454158652 822434065 /nfs/dbraw/zinc/43/40/65/822434065.db2.gz DDXKYJJYBJJNNE-CRAIPNDOSA-N 1 0 383.458 4.155 20 0 GIADRO CN(C(=O)c1c2c(nc3ccccc31)/C(=C\c1ccccc1)CC2)[C@H]1CC[NH2+]C1 ZINC000179054868 822434100 /nfs/dbraw/zinc/43/41/00/822434100.db2.gz ACDZOAGYDDQOPZ-VZWFDDOASA-N 1 0 383.495 4.156 20 0 GIADRO Cc1cc(C)cc(NC(=O)[C@H](C)[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)c1 ZINC000183166026 822434366 /nfs/dbraw/zinc/43/43/66/822434366.db2.gz SBBZGHNERCBMIS-HNNXBMFYSA-N 1 0 394.441 4.183 20 0 GIADRO CN(C(=O)c1oc2ccccc2c1CSc1ccc(F)cc1)[C@H]1CC[NH2+]C1 ZINC000179061019 822434538 /nfs/dbraw/zinc/43/45/38/822434538.db2.gz PBXLUCVWNJJUTR-HNNXBMFYSA-N 1 0 384.476 4.298 20 0 GIADRO Cc1ccc(C)c(NC(=O)[C@H](C)[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)c1 ZINC000183172345 822435469 /nfs/dbraw/zinc/43/54/69/822435469.db2.gz BOFFFMVZYFDGSV-HNNXBMFYSA-N 1 0 394.441 4.183 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CCCCNC(=O)OC(C)(C)C ZINC000183177522 822436263 /nfs/dbraw/zinc/43/62/63/822436263.db2.gz IYYJOPKPAQDTJY-CQSZACIVSA-N 1 0 390.553 4.469 20 0 GIADRO CN(C(=O)Nc1ccc(F)c(Cl)c1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000454187058 822436677 /nfs/dbraw/zinc/43/66/77/822436677.db2.gz COENEJYNYLGHSZ-UHFFFAOYSA-N 1 0 381.801 4.360 20 0 GIADRO CN(Cc1c(F)cccc1F)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000454189210 822437021 /nfs/dbraw/zinc/43/70/21/822437021.db2.gz DILDNXNARRPXLX-UHFFFAOYSA-N 1 0 387.474 4.292 20 0 GIADRO O=C1CCCN1Cc1cccc(C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)c1 ZINC000179101531 822438245 /nfs/dbraw/zinc/43/82/45/822438245.db2.gz VHFOHZRFYZFRFX-HSZRJFAPSA-N 1 0 390.527 4.301 20 0 GIADRO CC[C@@H]([NH2+][C@@H](C)c1ccc(Cl)nc1)c1ccccc1OCC(=O)N(C)C ZINC000179108861 822439089 /nfs/dbraw/zinc/43/90/89/822439089.db2.gz IWOGMJYHHGCSLY-WMLDXEAASA-N 1 0 375.900 4.004 20 0 GIADRO Cc1c([C@H](C)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)nnn1-c1ccc(F)cc1 ZINC000183193953 822439211 /nfs/dbraw/zinc/43/92/11/822439211.db2.gz KMSZGTJGZTWIIU-XYJFISCASA-N 1 0 385.531 4.018 20 0 GIADRO CCC[C@H]([NH2+][C@@H](C)c1ccc(Cl)nc1)C(=O)N1CCc2sccc2C1 ZINC000179119021 822440180 /nfs/dbraw/zinc/44/01/80/822440180.db2.gz XAUMMLRYQPRTSO-BBRMVZONSA-N 1 0 377.941 4.201 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)N[C@@H]([C@@H](CO)C1CC1)C1CC1)C1CCCCC1 ZINC000454226912 822440887 /nfs/dbraw/zinc/44/08/87/822440887.db2.gz LOPJQKDBCVTWCN-JTHBVZDNSA-N 1 0 399.579 4.370 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)N(C)[C@H](C)c1ccccc1 ZINC000046105217 822441262 /nfs/dbraw/zinc/44/12/62/822441262.db2.gz USPKPWMWZPDSGD-LJQANCHMSA-N 1 0 383.536 4.310 20 0 GIADRO Cc1noc(C)c1CN(C)C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000046129818 822443001 /nfs/dbraw/zinc/44/30/01/822443001.db2.gz JGXYJGVLDGRCLY-IRXDYDNUSA-N 1 0 398.551 4.111 20 0 GIADRO C[C@H]1C[C@@H](c2cccnc2)N(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000183224153 822443941 /nfs/dbraw/zinc/44/39/41/822443941.db2.gz IVNJUZZNCSXCGY-CVDCTZTESA-N 1 0 392.547 4.086 20 0 GIADRO C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000454255224 822444169 /nfs/dbraw/zinc/44/41/69/822444169.db2.gz VTKJIDFSHWQHAV-QAPCUYQASA-N 1 0 383.458 4.155 20 0 GIADRO COc1cccc([C@@H]2[C@H](NC(=O)c3ccc(F)cc3Cl)CC[N@@H+]2C2CC2)c1 ZINC000183231732 822445135 /nfs/dbraw/zinc/44/51/35/822445135.db2.gz ASKPIIZVJMSEGQ-WOJBJXKFSA-N 1 0 388.870 4.196 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@]2(CCSC2)C1)c1ccsc1 ZINC000454260095 822445275 /nfs/dbraw/zinc/44/52/75/822445275.db2.gz LAXDEWNRJPFWCZ-MJGOQNOKSA-N 1 0 381.611 4.060 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cccc(Cn4ccnc4)c3)cc2)C1 ZINC000046155927 822445398 /nfs/dbraw/zinc/44/53/98/822445398.db2.gz BQVPWKAUVPRRTH-IBGZPJMESA-N 1 0 388.515 4.416 20 0 GIADRO CC1([C@@H]2CCC[N@H+](Cc3cccc(OCc4cccc(C#N)c4)c3)C2)OCCO1 ZINC000183241655 822447117 /nfs/dbraw/zinc/44/71/17/822447117.db2.gz RZJBDOUVIIWCNZ-JOCHJYFZSA-N 1 0 392.499 4.112 20 0 GIADRO COc1ccc([C@@H](CNC(=O)c2ccc(C)nc2C2CC2)[NH+]2CCCCC2)cc1 ZINC000454276583 822448772 /nfs/dbraw/zinc/44/87/72/822448772.db2.gz MMEBSWJNLAZYDS-JOCHJYFZSA-N 1 0 393.531 4.233 20 0 GIADRO O=C(c1cc(-c2ccccn2)ccc1Cl)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000179191385 822449140 /nfs/dbraw/zinc/44/91/40/822449140.db2.gz IBIAODITYHQDFD-HTAPYJJXSA-N 1 0 395.934 4.491 20 0 GIADRO C[C@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1ncc(Br)s1 ZINC000179195683 822449185 /nfs/dbraw/zinc/44/91/85/822449185.db2.gz WWCHUHRYECHBEI-ZDUSSCGKSA-N 1 0 380.355 4.352 20 0 GIADRO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1cccc(OCc2ccccn2)c1 ZINC000179195789 822449299 /nfs/dbraw/zinc/44/92/99/822449299.db2.gz WKICFEGYPYGSLV-IBGZPJMESA-N 1 0 399.498 4.434 20 0 GIADRO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1cccc(OCc2ccccn2)c1 ZINC000179195801 822449308 /nfs/dbraw/zinc/44/93/08/822449308.db2.gz WKICFEGYPYGSLV-LJQANCHMSA-N 1 0 399.498 4.434 20 0 GIADRO Brc1cccc2c1CC[C@H]2[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000179207447 822451184 /nfs/dbraw/zinc/45/11/84/822451184.db2.gz HTYHXCWMCWVDEE-HXUWFJFHSA-N 1 0 386.337 4.086 20 0 GIADRO COc1ccc(CCC[NH2+][C@@H](C)c2ncc(Br)s2)cc1OC ZINC000179213245 822452037 /nfs/dbraw/zinc/45/20/37/822452037.db2.gz WARSIMKQCDHRAX-NSHDSACASA-N 1 0 385.327 4.206 20 0 GIADRO C[C@H](C[NH2+][C@@H](C)c1ncc(Br)s1)N1CCc2ccccc2C1 ZINC000179215642 822452662 /nfs/dbraw/zinc/45/26/62/822452662.db2.gz GEWZCPPOIYDJMP-OLZOCXBDSA-N 1 0 380.355 4.003 20 0 GIADRO C[C@H]([NH2+]CC(C)(C)c1ccc2c(c1)OCCO2)c1ncc(Br)s1 ZINC000179219944 822453127 /nfs/dbraw/zinc/45/31/27/822453127.db2.gz VQULAUSXDKBHPY-NSHDSACASA-N 1 0 397.338 4.305 20 0 GIADRO O=C(NCc1cccc(COc2ccccc2)c1)NC1CC[NH+](C2CCC2)CC1 ZINC000454304992 822455147 /nfs/dbraw/zinc/45/51/47/822455147.db2.gz SBEFIRKUAKYENA-UHFFFAOYSA-N 1 0 393.531 4.082 20 0 GIADRO C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N(C)c1ccccc1)c1cccc(CO)c1 ZINC000183302428 822455638 /nfs/dbraw/zinc/45/56/38/822455638.db2.gz LJKFISRMYXJCDU-DVECYGJZSA-N 1 0 388.511 4.104 20 0 GIADRO C[C@H](N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1ncc(Br)s1 ZINC000179239087 822456064 /nfs/dbraw/zinc/45/60/64/822456064.db2.gz JCRSXXXZGQJDRN-KCQAQPDRSA-N 1 0 380.355 4.219 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CC[C@H](C(F)(F)F)C[C@H]1C ZINC000454324228 822458053 /nfs/dbraw/zinc/45/80/53/822458053.db2.gz VJJYGQVSBWWVNN-QAPCUYQASA-N 1 0 385.474 4.399 20 0 GIADRO CCO[C@@H]1CCN(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)C[C@@H]1C ZINC000454323391 822458077 /nfs/dbraw/zinc/45/80/77/822458077.db2.gz UUGKBXQLEVEMLJ-CNNODRBYSA-N 1 0 387.568 4.018 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)N(C)C[C@H](C)c1nccs1 ZINC000183338406 822460872 /nfs/dbraw/zinc/46/08/72/822460872.db2.gz KLIXHKPIGJZEEI-INIZCTEOSA-N 1 0 390.553 4.131 20 0 GIADRO C[N@H+](Cc1ccccc1CNC(=O)N1CCC[C@]2(CCOC2)C1)C1CCCCC1 ZINC000454360330 822461681 /nfs/dbraw/zinc/46/16/81/822461681.db2.gz INPNVRFKSFHFEG-DEOSSOPVSA-N 1 0 399.579 4.163 20 0 GIADRO CC(C)(C)[NH+]1CCC(NC(=O)NC/C=C/c2ccc(Br)cc2)CC1 ZINC000454360651 822461880 /nfs/dbraw/zinc/46/18/80/822461880.db2.gz UNXAWBLXAAQOPV-SNAWJCMRSA-N 1 0 394.357 4.024 20 0 GIADRO CC1(CNC(=O)c2ccc(COc3ccc4ccccc4c3)o2)CC[NH2+]CC1 ZINC000183366490 822464277 /nfs/dbraw/zinc/46/42/77/822464277.db2.gz KDPNLFRQTWSCNS-UHFFFAOYSA-N 1 0 378.472 4.131 20 0 GIADRO Cc1ccc(Br)cc1NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000046346072 822464356 /nfs/dbraw/zinc/46/43/56/822464356.db2.gz BCARRHOEDBJVQI-HNNXBMFYSA-N 1 0 382.327 4.243 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1)c1ccsc1 ZINC000046346437 822464458 /nfs/dbraw/zinc/46/44/58/822464458.db2.gz HEFZRVUXLONHBD-QAPCUYQASA-N 1 0 398.532 4.081 20 0 GIADRO C[C@H]([NH2+][C@@H](C)[C@@H](C)c1ccccc1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000183369043 822464791 /nfs/dbraw/zinc/46/47/91/822464791.db2.gz OHRBXGDSCGKDOX-VWYCJHECSA-N 1 0 386.364 4.491 20 0 GIADRO COC[C@]1(C)CCN(C(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC000454376504 822465107 /nfs/dbraw/zinc/46/51/07/822465107.db2.gz VIBPHZIHCDRYHC-HSZRJFAPSA-N 1 0 387.568 4.019 20 0 GIADRO COC(=O)COc1ccccc1[C@H](C)[NH2+]Cc1ccccc1OC1CCCC1 ZINC000183373538 822465563 /nfs/dbraw/zinc/46/55/63/822465563.db2.gz NJEQJDNDNJPERG-KRWDZBQOSA-N 1 0 383.488 4.411 20 0 GIADRO CC[C@H](C)n1ncc(C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)c1C1CC1 ZINC000179322439 822465921 /nfs/dbraw/zinc/46/59/21/822465921.db2.gz BLNKEFONXBBYQR-KRWDZBQOSA-N 1 0 394.563 4.298 20 0 GIADRO COc1cc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)ccc1OC(C)C ZINC000046374662 822467215 /nfs/dbraw/zinc/46/72/15/822467215.db2.gz NHOGGWMAUPTTLC-UHFFFAOYSA-N 1 0 382.504 4.008 20 0 GIADRO CCCCNC(=O)C1CC[NH+](Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC1 ZINC000179330721 822467224 /nfs/dbraw/zinc/46/72/24/822467224.db2.gz CEKKMPYIIVAQOB-UHFFFAOYSA-N 1 0 396.579 4.298 20 0 GIADRO CCCCNC(=O)C1CC[NH+](Cc2ccc(-c3ccccc3OC)cc2)CC1 ZINC000179330894 822467234 /nfs/dbraw/zinc/46/72/34/822467234.db2.gz FIDOJWSICOUBGK-UHFFFAOYSA-N 1 0 380.532 4.491 20 0 GIADRO COc1cc(-c2ccccc2)ccc1C[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000183390794 822467513 /nfs/dbraw/zinc/46/75/13/822467513.db2.gz KJQZCAZLTUKLKF-UHFFFAOYSA-N 1 0 378.516 4.197 20 0 GIADRO CC(C)(C)OC(=O)NC1CC[NH+](Cc2cccc(OCc3ccccn3)c2)CC1 ZINC000179346316 822468693 /nfs/dbraw/zinc/46/86/93/822468693.db2.gz NMCFDUREORELBD-UHFFFAOYSA-N 1 0 397.519 4.150 20 0 GIADRO O=C(N[C@H]1CCc2cc(F)c(F)c(F)c21)NC1CC[NH+](CC2CCCC2)CC1 ZINC000454402943 822469824 /nfs/dbraw/zinc/46/98/24/822469824.db2.gz GTAHRPFMADGGSJ-KRWDZBQOSA-N 1 0 395.469 4.045 20 0 GIADRO C[C@H]1C[C@@H](C(F)(F)F)CCN1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000454404954 822470168 /nfs/dbraw/zinc/47/01/68/822470168.db2.gz KTAGYJNMCBXMDB-HOCLYGCPSA-N 1 0 375.479 4.013 20 0 GIADRO Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000046403766 822470410 /nfs/dbraw/zinc/47/04/10/822470410.db2.gz LHDRNZXQSRVJSG-UHFFFAOYSA-N 1 0 390.487 4.044 20 0 GIADRO CO[C@H]1CCN(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CC1(C)C ZINC000454408455 822470635 /nfs/dbraw/zinc/47/06/35/822470635.db2.gz MAXYOMVRUBZRDJ-NRFANRHFSA-N 1 0 387.568 4.019 20 0 GIADRO C[C@H]1C[C@H]1c1ccc(CCC(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)o1 ZINC000046404415 822470712 /nfs/dbraw/zinc/47/07/12/822470712.db2.gz MBHJADBNYWBEQR-LAUBAEHRSA-N 1 0 381.520 4.116 20 0 GIADRO O=C(Nc1ccc(N2CCCCCCC2)c(F)c1)NC1CC[NH+](C2CC2)CC1 ZINC000183413282 822470960 /nfs/dbraw/zinc/47/09/60/822470960.db2.gz ZETHXANNLHQBAX-UHFFFAOYSA-N 1 0 388.531 4.345 20 0 GIADRO CCO[C@@H]1CCN(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C[C@@H]1C ZINC000454409927 822471015 /nfs/dbraw/zinc/47/10/15/822471015.db2.gz ONKDHKCSLMUAEE-SIKLNZKXSA-N 1 0 387.568 4.019 20 0 GIADRO COc1cc(C)ccc1NC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179361830 822471376 /nfs/dbraw/zinc/47/13/76/822471376.db2.gz KHQUWVHDZKWSED-UHFFFAOYSA-N 1 0 382.508 4.169 20 0 GIADRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)NC[C@H]1CCCCC1(F)F ZINC000454415889 822471957 /nfs/dbraw/zinc/47/19/57/822471957.db2.gz VOXKUUPLYVPWQP-HZPDHXFCSA-N 1 0 385.524 4.085 20 0 GIADRO COC[C@H]([NH2+]Cc1csc(-c2cc(Br)ccc2OC)n1)C1CC1 ZINC000183421858 822472163 /nfs/dbraw/zinc/47/21/63/822472163.db2.gz XUTOOBZGLRBGEI-HNNXBMFYSA-N 1 0 397.338 4.096 20 0 GIADRO COc1ccc(CN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c2cc(C)sc2C)cc1F ZINC000179370165 822472378 /nfs/dbraw/zinc/47/23/78/822472378.db2.gz LJVFIMUQHCRRRY-KBPBESRZSA-N 1 0 378.513 4.210 20 0 GIADRO COc1ccc(CN(C)C(=O)[C@@H](C)[NH2+][C@H](C)c2cc(C)sc2C)cc1OC ZINC000179369243 822472395 /nfs/dbraw/zinc/47/23/95/822472395.db2.gz AZZWLZGJELWIQY-HUUCEWRRSA-N 1 0 390.549 4.080 20 0 GIADRO COc1ccc(CN(C)C(=O)[C@H](C)[NH2+][C@H](C)c2cc(C)sc2C)cc1F ZINC000179370152 822472458 /nfs/dbraw/zinc/47/24/58/822472458.db2.gz LJVFIMUQHCRRRY-KGLIPLIRSA-N 1 0 378.513 4.210 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)Nc1ccc2scnc2c1 ZINC000179371545 822472597 /nfs/dbraw/zinc/47/25/97/822472597.db2.gz XZTWLTZDXUMUOJ-UHFFFAOYSA-N 1 0 395.532 4.462 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)N2CC3(CCC3)[C@H]2c2ccco2)[NH+]2CCCC2)o1 ZINC000454425419 822473483 /nfs/dbraw/zinc/47/34/83/822473483.db2.gz IHQZTURJVNASEP-YLJYHZDGSA-N 1 0 383.492 4.255 20 0 GIADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@H]2c3ccccc3CC[C@H]2C)CC1 ZINC000179383867 822474621 /nfs/dbraw/zinc/47/46/21/822474621.db2.gz KYRKJRMFKMUJEZ-IEGUWTFLSA-N 1 0 392.547 4.230 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)Nc1ccc2ccn(C)c2c1 ZINC000179389358 822475460 /nfs/dbraw/zinc/47/54/60/822475460.db2.gz DGDQVMXSNXBDIQ-UHFFFAOYSA-N 1 0 391.519 4.344 20 0 GIADRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C[C@H]2CCN(c3ccc(F)cc3)C2)CC1 ZINC000183445362 822476082 /nfs/dbraw/zinc/47/60/82/822476082.db2.gz LIYPWBMMPRXAQC-IEBWSBKVSA-N 1 0 391.531 4.031 20 0 GIADRO C[C@@H]([NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1)c1ccccc1O ZINC000183445195 822476148 /nfs/dbraw/zinc/47/61/48/822476148.db2.gz YIFUYGPIDYAUII-HUUCEWRRSA-N 1 0 375.310 4.332 20 0 GIADRO CC(C)Oc1ccc(NC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(F)c1 ZINC000183448595 822476488 /nfs/dbraw/zinc/47/64/88/822476488.db2.gz MTXQQFRUOVIOFQ-CVEARBPZSA-N 1 0 377.504 4.387 20 0 GIADRO Cc1cc2ncc([C@H](C)[NH2+]CCc3ccc(Br)s3)c(C)n2n1 ZINC000179408065 822478401 /nfs/dbraw/zinc/47/84/01/822478401.db2.gz XIROGUTVUKIFHG-NSHDSACASA-N 1 0 379.327 4.063 20 0 GIADRO CC(=O)c1ccc(NC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1C ZINC000179407741 822478434 /nfs/dbraw/zinc/47/84/34/822478434.db2.gz WZHPKZADSMHOKA-UHFFFAOYSA-N 1 0 394.519 4.363 20 0 GIADRO Cc1cc2ncc([C@@H](C)[NH2+]Cc3ccc(Br)c(F)c3)c(C)n2n1 ZINC000179416514 822479411 /nfs/dbraw/zinc/47/94/11/822479411.db2.gz UDEZETKZJXKFLM-LLVKDONJSA-N 1 0 377.261 4.099 20 0 GIADRO Cc1cc2ncc([C@H](C)[NH2+]C[C@H]3CCN(c4cc(Cl)ccc4C)C3)c(C)n2n1 ZINC000179420908 822479886 /nfs/dbraw/zinc/47/98/86/822479886.db2.gz KLWJCOOZUYFIRB-FUHWJXTLSA-N 1 0 397.954 4.485 20 0 GIADRO C[NH+](C)CCOc1cccc(NC(=O)N[C@H]2CCCC[C@H]2CC(F)(F)F)c1 ZINC000454486399 822483021 /nfs/dbraw/zinc/48/30/21/822483021.db2.gz TXWQBDLPPVAFGR-YOEHRIQHSA-N 1 0 387.446 4.260 20 0 GIADRO Cc1ccnc(-c2ccc(NC(=O)N[C@@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)cc2)n1 ZINC000183483940 822483402 /nfs/dbraw/zinc/48/34/02/822483402.db2.gz JTQPKTAWGHTFAA-HKUYNNGSSA-N 1 0 393.535 4.227 20 0 GIADRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]CCCc2nc3c(s2)CCCC3)CC1 ZINC000183485501 822483509 /nfs/dbraw/zinc/48/35/09/822483509.db2.gz ZENGEHOISALZLF-INIZCTEOSA-N 1 0 393.597 4.334 20 0 GIADRO Cc1cc2ncc([C@H](C)[NH2+]Cc3ccc(C)cc3OCC(F)(F)F)c(C)n2n1 ZINC000179446971 822484311 /nfs/dbraw/zinc/48/43/11/822484311.db2.gz QTBVKPCVTDUCIA-AWEZNQCLSA-N 1 0 392.425 4.446 20 0 GIADRO COc1ccc([C@H](CNC(=O)NCc2ccc(C)cc2)[NH+]2CCCCC2)cc1 ZINC000046541297 822484423 /nfs/dbraw/zinc/48/44/23/822484423.db2.gz YNRRCLIRJVRGTI-QFIPXVFZSA-N 1 0 381.520 4.030 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CCCc2c(C)nn(C)c2C)cc1Br ZINC000183489946 822484577 /nfs/dbraw/zinc/48/45/77/822484577.db2.gz BESMBCBBKQVLJS-LBPRGKRZSA-N 1 0 380.330 4.091 20 0 GIADRO COC(=O)COc1ccccc1[C@H](C)[NH2+][C@H]1CCOc2c(Cl)cccc21 ZINC000183491552 822484771 /nfs/dbraw/zinc/48/47/71/822484771.db2.gz LXNFZGGIAGUZNO-GUYCJALGSA-N 1 0 375.852 4.066 20 0 GIADRO Cc1nn(C)c(C)c1CCC[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000183492095 822484977 /nfs/dbraw/zinc/48/49/77/822484977.db2.gz JIAQWJWYQQPPEM-SFHVURJKSA-N 1 0 392.341 4.236 20 0 GIADRO C[C@H]([NH2+]CCc1coc(-c2ccc(F)cc2)n1)c1ccc(N2CCOC2=O)cc1 ZINC000179456529 822485857 /nfs/dbraw/zinc/48/58/57/822485857.db2.gz DXFNZQOOZFYAJN-HNNXBMFYSA-N 1 0 395.434 4.331 20 0 GIADRO C[N@@H+]1CC[C@H](CNC(=O)CCc2cccs2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179472477 822487726 /nfs/dbraw/zinc/48/77/26/822487726.db2.gz SFJJYHWPYHOKRD-KUHUBIRLSA-N 1 0 380.916 4.282 20 0 GIADRO C[C@H](C[NH2+][C@@H](C)c1ncc(Br)s1)c1nc(-c2ccccc2)no1 ZINC000179478933 822488508 /nfs/dbraw/zinc/48/85/08/822488508.db2.gz DRQUKQFTPFBTJP-MNOVXSKESA-N 1 0 393.310 4.410 20 0 GIADRO COc1ccc([C@H](C)[NH2+]C[C@H](C)c2nc(-c3ccccc3)no2)cc1NC(C)=O ZINC000179478616 822488570 /nfs/dbraw/zinc/48/85/70/822488570.db2.gz AEVABOLTXWXPGK-GJZGRUSLSA-N 1 0 394.475 4.158 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000183517037 822488813 /nfs/dbraw/zinc/48/88/13/822488813.db2.gz ULRPOGUJBAAACF-JLBUNGTFSA-N 1 0 397.899 4.063 20 0 GIADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@H](C)c2cccc(C3CC3)c2)[C@@H](C)C1 ZINC000454520792 822490608 /nfs/dbraw/zinc/49/06/08/822490608.db2.gz PLVXIDBHSPYURQ-SVMVAKDDSA-N 1 0 387.568 4.061 20 0 GIADRO CC[C@@H](NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1F ZINC000179494674 822490693 /nfs/dbraw/zinc/49/06/93/822490693.db2.gz FMQZWISIAWGKPY-HXUWFJFHSA-N 1 0 388.462 4.027 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1)c1ccc([S@](C)=O)cc1 ZINC000179494429 822490759 /nfs/dbraw/zinc/49/07/59/822490759.db2.gz VTTCDUPQSLQAHU-OJTRRQJISA-N 1 0 376.953 4.173 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N(C)Cc2c(F)cccc2F)CC1 ZINC000454521649 822490821 /nfs/dbraw/zinc/49/08/21/822490821.db2.gz QDOQDKOMGCIRGU-MRXNPFEDSA-N 1 0 387.474 4.332 20 0 GIADRO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(C(F)(F)F)cc1 ZINC000179496077 822490938 /nfs/dbraw/zinc/49/09/38/822490938.db2.gz REKOVDVINKSCOG-WBVHZDCISA-N 1 0 376.422 4.405 20 0 GIADRO C[C@H]([NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1)c1cccc(Br)c1 ZINC000179495414 822490942 /nfs/dbraw/zinc/49/09/42/822490942.db2.gz FTMJRMCSBIZPEK-DOTOQJQBSA-N 1 0 387.321 4.148 20 0 GIADRO Nc1c(Cl)cc(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)cc1Cl ZINC000179496401 822491235 /nfs/dbraw/zinc/49/12/35/822491235.db2.gz LTRUSDUDPHNLAP-UHFFFAOYSA-N 1 0 392.330 4.013 20 0 GIADRO C[C@@H](NC(=O)N1CCC([NH+]2CCCCC2)CC1)c1cccc(OC(F)F)c1 ZINC000046607933 822491403 /nfs/dbraw/zinc/49/14/03/822491403.db2.gz FCNCFCBTADNEQM-OAHLLOKOSA-N 1 0 381.467 4.009 20 0 GIADRO C[C@H]([NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000179497322 822491422 /nfs/dbraw/zinc/49/14/22/822491422.db2.gz DBRITCMYZGBAGX-DOTOQJQBSA-N 1 0 392.421 4.285 20 0 GIADRO CC(C)Sc1ccccc1C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000183536496 822491501 /nfs/dbraw/zinc/49/15/01/822491501.db2.gz GVDOMNHOZMRJSZ-HXUWFJFHSA-N 1 0 398.572 4.074 20 0 GIADRO O=C(CC[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1)Nc1cccc2ccccc21 ZINC000179497915 822491616 /nfs/dbraw/zinc/49/16/16/822491616.db2.gz HULFYOXVNYVMOF-GOSISDBHSA-N 1 0 389.503 4.044 20 0 GIADRO C[C@H](NC(=O)NCCCC[N@@H+]1CCCC[C@H]1C)c1cccc(OC(F)F)c1 ZINC000046609377 822491802 /nfs/dbraw/zinc/49/18/02/822491802.db2.gz MKRKBQIYYHEDHY-CVEARBPZSA-N 1 0 383.483 4.303 20 0 GIADRO C[C@H](NC(=O)Nc1ccc2[nH]c(C(F)F)nc2c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183540393 822492211 /nfs/dbraw/zinc/49/22/11/822492211.db2.gz BCWRDUHNYRZTCI-STQMWFEESA-N 1 0 391.466 4.275 20 0 GIADRO CCOc1cc(/C=C/C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)ccc1O ZINC000179503067 822492506 /nfs/dbraw/zinc/49/25/06/822492506.db2.gz BMUVZKJQBMFATI-NCUBBLFSSA-N 1 0 394.515 4.146 20 0 GIADRO Fc1ccc([C@@H](NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c2ccccc2)nc1 ZINC000183550494 822493634 /nfs/dbraw/zinc/49/36/34/822493634.db2.gz PWFXHJWNBVPAMV-BWKNWUBXSA-N 1 0 389.518 4.464 20 0 GIADRO CC[C@H]([NH2+][C@H](C)Cn1ncc2ccccc2c1=O)c1ccc(OC(F)F)cc1 ZINC000179516427 822494810 /nfs/dbraw/zinc/49/48/10/822494810.db2.gz JWGKNXRAUZTZNC-KUHUBIRLSA-N 1 0 387.430 4.127 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)N2CCc3ccc(Cl)cc3C2)CC1 ZINC000179516388 822494888 /nfs/dbraw/zinc/49/48/88/822494888.db2.gz FSHSOSIUSQXYNF-UHFFFAOYSA-N 1 0 398.938 4.072 20 0 GIADRO C[C@H]([NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1ccccc1-n1cccn1 ZINC000183559800 822494922 /nfs/dbraw/zinc/49/49/22/822494922.db2.gz ZJTBGHXDDWBUGG-ROUUACIJSA-N 1 0 384.524 4.313 20 0 GIADRO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000179517472 822495273 /nfs/dbraw/zinc/49/52/73/822495273.db2.gz RMSHUXPYEQCNLJ-KGLIPLIRSA-N 1 0 391.393 4.034 20 0 GIADRO Cc1cc2cc([C@@H](C)[NH2+][C@H](C)Cn3ncc4ccccc4c3=O)oc2cc1C ZINC000179517103 822495288 /nfs/dbraw/zinc/49/52/88/822495288.db2.gz TXQHLCCVIDTHAW-IAGOWNOFSA-N 1 0 375.472 4.499 20 0 GIADRO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000179517350 822495376 /nfs/dbraw/zinc/49/53/76/822495376.db2.gz POZPARFHTZBFNG-OLZOCXBDSA-N 1 0 376.287 4.443 20 0 GIADRO C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000179517743 822495616 /nfs/dbraw/zinc/49/56/16/822495616.db2.gz JGFGUIGTPKBYDH-KPZWWZAWSA-N 1 0 388.298 4.369 20 0 GIADRO O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000179519307 822495770 /nfs/dbraw/zinc/49/57/70/822495770.db2.gz NZDSSHVYXITMIW-IAGOWNOFSA-N 1 0 387.421 4.089 20 0 GIADRO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@H](C)Cn1ncc2ccccc2c1=O ZINC000179518183 822495830 /nfs/dbraw/zinc/49/58/30/822495830.db2.gz IFEYOOLQQSNMJD-KGLIPLIRSA-N 1 0 384.549 4.198 20 0 GIADRO CCn1nc(C)c(NC(=O)NC[C@@H](c2ccccc2Cl)[NH+](CC)CC)c1C ZINC000179520077 822495904 /nfs/dbraw/zinc/49/59/04/822495904.db2.gz OTQGGNWGTVGGIW-SFHVURJKSA-N 1 0 391.947 4.378 20 0 GIADRO O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000179519314 822496025 /nfs/dbraw/zinc/49/60/25/822496025.db2.gz NZDSSHVYXITMIW-SJORKVTESA-N 1 0 387.421 4.089 20 0 GIADRO OC[C@H]1C=C[C@@H]([NH2+][C@@H](c2cccc(F)c2)c2cccc(Br)c2)C1 ZINC000183575216 822496635 /nfs/dbraw/zinc/49/66/35/822496635.db2.gz FJCLNLYWXNLTNI-MJXNMMHHSA-N 1 0 376.269 4.204 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)Cc1ccc(-n2cccc2)cc1 ZINC000046642648 822497083 /nfs/dbraw/zinc/49/70/83/822497083.db2.gz PGDIPVGPWZBDSQ-UHFFFAOYSA-N 1 0 375.516 4.178 20 0 GIADRO FC(F)(F)c1cc(Br)ccc1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000179526905 822497363 /nfs/dbraw/zinc/49/73/63/822497363.db2.gz ACPVFQYHCLEAFP-UONOGXRCSA-N 1 0 377.248 4.184 20 0 GIADRO CCn1nc(C)c(NC(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)c1C ZINC000179529730 822497716 /nfs/dbraw/zinc/49/77/16/822497716.db2.gz DJGIAWUMLDZFEC-KRWDZBQOSA-N 1 0 389.569 4.176 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(C(=O)N2CCCCC2)c1)c1cccc(-n2cccn2)c1 ZINC000183586988 822498032 /nfs/dbraw/zinc/49/80/32/822498032.db2.gz ZRXXDKHCGXEGNU-LJQANCHMSA-N 1 0 388.515 4.349 20 0 GIADRO CCn1nc(C)c(NC(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1C ZINC000179543330 822500265 /nfs/dbraw/zinc/50/02/65/822500265.db2.gz BMKYFNCQJAYLPO-INIZCTEOSA-N 1 0 383.540 4.073 20 0 GIADRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2oc3ccccc3c2C)cc1OC ZINC000183607216 822500357 /nfs/dbraw/zinc/50/03/57/822500357.db2.gz HDJYHFFBHYXMFK-CABCVRRESA-N 1 0 382.460 4.436 20 0 GIADRO CCn1nc(C)c(NC(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)c1C ZINC000179544237 822500465 /nfs/dbraw/zinc/50/04/65/822500465.db2.gz JRCIJCZOXCLONS-INIZCTEOSA-N 1 0 383.540 4.305 20 0 GIADRO CCn1nc(C)c(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1C ZINC000179545981 822500906 /nfs/dbraw/zinc/50/09/06/822500906.db2.gz RHSLIKCURXAVCQ-NHCUHLMSSA-N 1 0 395.551 4.038 20 0 GIADRO CCC[C@@H]1C[C@@H](C(=O)Nc2ccc(C[NH+]3CCSCC3)cc2C)CCO1 ZINC000183616371 822501623 /nfs/dbraw/zinc/50/16/23/822501623.db2.gz ZBBYUJOLCCKWOT-RBUKOAKNSA-N 1 0 376.566 4.078 20 0 GIADRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]Cc2nnc(-c3ccccc3)s2)CC1 ZINC000183617655 822501903 /nfs/dbraw/zinc/50/19/03/822501903.db2.gz YICZAZLSBOFKLS-MRXNPFEDSA-N 1 0 388.537 4.084 20 0 GIADRO CCc1nc(C)c([C@H](C)[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)s1 ZINC000179554652 822502604 /nfs/dbraw/zinc/50/26/04/822502604.db2.gz WEWWTTCVAYEBOQ-UCLAIMLFSA-N 1 0 393.984 4.390 20 0 GIADRO CC[C@@H](NC(=O)N1CCC([NH+]2CCCCC2)CC1)c1ccccc1OC(F)F ZINC000046683811 822504581 /nfs/dbraw/zinc/50/45/81/822504581.db2.gz QQZLIQMRQDWAQZ-GOSISDBHSA-N 1 0 395.494 4.399 20 0 GIADRO Cc1nc(C(F)(F)F)c(C[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)s1 ZINC000183643060 822505360 /nfs/dbraw/zinc/50/53/60/822505360.db2.gz VHPMAVQGQDIZJY-JTQLQIEISA-N 1 0 385.411 4.278 20 0 GIADRO Cn1c(CC[NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)nc2c1cccc2F ZINC000183646666 822505870 /nfs/dbraw/zinc/50/58/70/822505870.db2.gz YQBNKSLOIGZMKW-UHFFFAOYSA-N 1 0 399.363 4.125 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1 ZINC000046690759 822506024 /nfs/dbraw/zinc/50/60/24/822506024.db2.gz VFVJNIDFEOPZPG-UHFFFAOYSA-N 1 0 376.884 4.451 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)NCCc2ccc(OC(F)(F)F)cc2)c1 ZINC000046692462 822506313 /nfs/dbraw/zinc/50/63/13/822506313.db2.gz YAZNWSUIIZDMJF-UHFFFAOYSA-N 1 0 381.398 4.011 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000454615124 822506572 /nfs/dbraw/zinc/50/65/72/822506572.db2.gz LKGRKYFANGFHKU-CBQOVEMMSA-N 1 0 393.531 4.427 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)C(F)F)cc1)c1cccc(OC(F)F)c1 ZINC000179579669 822506630 /nfs/dbraw/zinc/50/66/30/822506630.db2.gz IVEONUHOCXKUGO-LLVKDONJSA-N 1 0 391.386 4.135 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000454615131 822506603 /nfs/dbraw/zinc/50/66/03/822506603.db2.gz LKGRKYFANGFHKU-SYYKKAFVSA-N 1 0 393.531 4.427 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1nc2ccccc2s1)c1cccc(OC(F)F)c1 ZINC000179583437 822506792 /nfs/dbraw/zinc/50/67/92/822506792.db2.gz JQAQVFBIXREPAZ-LLVKDONJSA-N 1 0 377.416 4.187 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1OC(F)F)c1cccc(OC(F)F)c1 ZINC000179583755 822507091 /nfs/dbraw/zinc/50/70/91/822507091.db2.gz XERFPVWXQBQYEU-LLVKDONJSA-N 1 0 386.345 4.179 20 0 GIADRO Cc1c(O)ccc2c(C[NH2+][C@@H](C)c3cccc(OC(F)F)c3)cc(=O)oc12 ZINC000179586209 822507444 /nfs/dbraw/zinc/50/74/44/822507444.db2.gz GGCUIFCXEUMWNQ-LBPRGKRZSA-N 1 0 375.371 4.259 20 0 GIADRO O=C(C1CC[NH+](Cc2c(Cl)cccc2N2CCCC2)CC1)N1CCCCC1 ZINC000179590600 822508291 /nfs/dbraw/zinc/50/82/91/822508291.db2.gz ULWYFQXABGGLPL-UHFFFAOYSA-N 1 0 389.971 4.165 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](O)COCc2ccc(Cl)cc2)cc1 ZINC000183672157 822508969 /nfs/dbraw/zinc/50/89/69/822508969.db2.gz DDSFQDGASXQDDN-OPAMFIHVSA-N 1 0 399.922 4.062 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(C)c2C)cc1 ZINC000183672291 822508999 /nfs/dbraw/zinc/50/89/99/822508999.db2.gz WBRPAPGVZCWKJS-QZTJIDSGSA-N 1 0 376.504 4.475 20 0 GIADRO CC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(-n3ccnc3C)cc2)c1 ZINC000183673111 822509192 /nfs/dbraw/zinc/50/91/92/822509192.db2.gz HAYVGXDYZPYXRW-HOTGVXAUSA-N 1 0 390.487 4.061 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(Cl)s1)c1cccc(OC(F)F)c1 ZINC000179595836 822509412 /nfs/dbraw/zinc/50/94/12/822509412.db2.gz BBUZNQKAHHPPME-LLVKDONJSA-N 1 0 388.867 4.312 20 0 GIADRO Cc1ccc(-c2cnc(CCC(=O)Nc3ccc(OCC[NH+](C)C)cc3)o2)cc1 ZINC000046723905 822509987 /nfs/dbraw/zinc/50/99/87/822509987.db2.gz ALOAFDQUDVFTCH-UHFFFAOYSA-N 1 0 393.487 4.162 20 0 GIADRO C[C@H]([NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000179598814 822510053 /nfs/dbraw/zinc/51/00/53/822510053.db2.gz DGESTDRHNVIPFF-ZLPCBKJTSA-N 1 0 388.508 4.194 20 0 GIADRO C[C@H]([NH2+]CC(=O)N(C)c1nc2ccccc2s1)c1ccc(OC(F)F)cc1 ZINC000179600847 822510508 /nfs/dbraw/zinc/51/05/08/822510508.db2.gz PSQNBNUJVUQAID-LBPRGKRZSA-N 1 0 391.443 4.211 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000183682828 822510659 /nfs/dbraw/zinc/51/06/59/822510659.db2.gz UAOIITRDYQSQDI-AEFFLSMTSA-N 1 0 384.524 4.088 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000183682862 822510683 /nfs/dbraw/zinc/51/06/83/822510683.db2.gz UAOIITRDYQSQDI-SJLPKXTDSA-N 1 0 384.524 4.088 20 0 GIADRO Cc1ccc(NC(=O)NCC[C@@H](C)[NH+]2CCCCC2)cc1NC(=O)C(C)(C)C ZINC000183685670 822511126 /nfs/dbraw/zinc/51/11/26/822511126.db2.gz ADYHCRCIBPJARW-QGZVFWFLSA-N 1 0 388.556 4.366 20 0 GIADRO CCN(C(=O)NCCCC[NH+]1CCC(C)CC1)[C@H](C)c1cccc(OC)c1 ZINC000046737187 822511599 /nfs/dbraw/zinc/51/15/99/822511599.db2.gz XGDOHBZTJKYUJP-LJQANCHMSA-N 1 0 375.557 4.300 20 0 GIADRO C[NH+](C)Cc1ccccc1CNC(=O)C(C)(C)c1ccc(Br)cc1 ZINC000046741761 822512040 /nfs/dbraw/zinc/51/20/40/822512040.db2.gz AYWCMFYRMKFSQH-UHFFFAOYSA-N 1 0 389.337 4.105 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)[NH2+]CCCS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000183690197 822512019 /nfs/dbraw/zinc/51/20/19/822512019.db2.gz IAYYVGJSPRYZBS-SFHVURJKSA-N 1 0 397.544 4.004 20 0 GIADRO CC[C@@H](C)[NH+]1CCN(C(=O)Nc2cccc(CSc3ccccn3)c2)CC1 ZINC000454652738 822512450 /nfs/dbraw/zinc/51/24/50/822512450.db2.gz BLWJGOFUPYJLNO-QGZVFWFLSA-N 1 0 384.549 4.322 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N(C)Cc1ccccc1Br ZINC000046751302 822512888 /nfs/dbraw/zinc/51/28/88/822512888.db2.gz JAKXKLCAJDWTJC-MRXNPFEDSA-N 1 0 396.373 4.245 20 0 GIADRO COc1cc(C)c([C@H](C)[NH2+]CC(=O)Nc2ccc(C)cc2Cl)cc1OC ZINC000179618490 822514001 /nfs/dbraw/zinc/51/40/01/822514001.db2.gz OIQXQSSNWOAGIS-AWEZNQCLSA-N 1 0 376.884 4.263 20 0 GIADRO C[C@@H](CCNC(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1)[NH+]1CCCCC1 ZINC000183703184 822514110 /nfs/dbraw/zinc/51/41/10/822514110.db2.gz FZCTWEUCFLQQGF-CBZJRKILSA-N 1 0 393.597 4.120 20 0 GIADRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2nc(-c3cccc(C(F)(F)F)c3)oc2C)C1 ZINC000183705929 822514477 /nfs/dbraw/zinc/51/44/77/822514477.db2.gz AUCJMVGETSRZBW-MRXNPFEDSA-N 1 0 395.425 4.225 20 0 GIADRO CC[C@](C)(COc1ncccc1Cl)[NH2+]Cc1cc(F)cc2c1OCOC2 ZINC000179625173 822514998 /nfs/dbraw/zinc/51/49/98/822514998.db2.gz BJMGPHXHKJBNGM-LJQANCHMSA-N 1 0 380.847 4.078 20 0 GIADRO CCOCc1cccc(NC(=O)NC[C@H](c2ccc(SC)cc2)[NH+](C)C)c1 ZINC000454671038 822515301 /nfs/dbraw/zinc/51/53/01/822515301.db2.gz PRBUFAYOCGKBIW-HXUWFJFHSA-N 1 0 387.549 4.369 20 0 GIADRO Fc1ccc([C@H]([NH2+][C@@H]2CCN(c3ncccc3Cl)C2)c2ccccc2)nc1 ZINC000183713838 822515583 /nfs/dbraw/zinc/51/55/83/822515583.db2.gz NYKKNGVQZNNKEZ-YLJYHZDGSA-N 1 0 382.870 4.227 20 0 GIADRO COc1cc(C)c([C@@H](C)[NH2+]CC(=O)Nc2c(C)cccc2Cl)cc1OC ZINC000179629444 822515896 /nfs/dbraw/zinc/51/58/96/822515896.db2.gz XFWZQFSUPPICJW-CQSZACIVSA-N 1 0 376.884 4.263 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[NH2+][C@H](C)c1cccc(C)c1C ZINC000183720775 822516381 /nfs/dbraw/zinc/51/63/81/822516381.db2.gz JLXKCMKLLMDSEP-QGZVFWFLSA-N 1 0 376.504 4.395 20 0 GIADRO Cc1nn(-c2ccccc2)cc1NC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000183724641 822517236 /nfs/dbraw/zinc/51/72/36/822517236.db2.gz XBOSRKDMIDFIPM-HXUWFJFHSA-N 1 0 395.551 4.157 20 0 GIADRO CC[C@@H]([NH2+]Cc1ccc(N2CCOC2=O)cc1)c1ccc(OC(F)F)cc1 ZINC000183731655 822518151 /nfs/dbraw/zinc/51/81/51/822518151.db2.gz COFWBJSPWCETOT-GOSISDBHSA-N 1 0 376.403 4.486 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCOC3=O)cc2)cc1OCC ZINC000183736567 822519298 /nfs/dbraw/zinc/51/92/98/822519298.db2.gz KPORNNIFFNOAHQ-MRXNPFEDSA-N 1 0 384.476 4.291 20 0 GIADRO CC(C)c1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(C(F)(F)F)c2)no1 ZINC000179651180 822519910 /nfs/dbraw/zinc/51/99/10/822519910.db2.gz SXIVQZXTJYNJOL-UHFFFAOYSA-N 1 0 383.414 4.021 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCCc2ccc(F)cc21)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000179652052 822520162 /nfs/dbraw/zinc/52/01/62/822520162.db2.gz RZAHBTALORYLBL-QRQCRPRQSA-N 1 0 382.479 4.211 20 0 GIADRO Brc1cncc(CNc2ccc(CC[NH+]3CCSCC3)cc2)c1 ZINC000183742216 822520620 /nfs/dbraw/zinc/52/06/20/822520620.db2.gz HKVVULXIADQQBX-UHFFFAOYSA-N 1 0 392.366 4.048 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1cc(F)cc(Br)c1 ZINC000046816348 822520744 /nfs/dbraw/zinc/52/07/44/822520744.db2.gz UXKCVEZVQKQDPP-UHFFFAOYSA-N 1 0 393.300 4.358 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CC(=O)Nc1ccc(Cl)cn1 ZINC000183744264 822520806 /nfs/dbraw/zinc/52/08/06/822520806.db2.gz CNKAUAJYSZXYLY-GFCCVEGCSA-N 1 0 386.908 4.456 20 0 GIADRO COc1ccc(Sc2ccc(NC(=O)N3C[C@@H]4CC[N@H+](C)[C@@H]4C3)cc2)cc1 ZINC000454706477 822520973 /nfs/dbraw/zinc/52/09/73/822520973.db2.gz KBWWKJLKTFTRAX-MGPUTAFESA-N 1 0 383.517 4.014 20 0 GIADRO CC[C@H](NC(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1)c1c(C)noc1C ZINC000454709361 822521529 /nfs/dbraw/zinc/52/15/29/822521529.db2.gz CKXSZNPLYCTXSA-IBGZPJMESA-N 1 0 384.524 4.096 20 0 GIADRO CC[C@@H](NC(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1)c1c(C)noc1C ZINC000454709366 822521538 /nfs/dbraw/zinc/52/15/38/822521538.db2.gz CKXSZNPLYCTXSA-LJQANCHMSA-N 1 0 384.524 4.096 20 0 GIADRO CCN(Cc1cnc2c(cnn2C(C)C)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000183749500 822522044 /nfs/dbraw/zinc/52/20/44/822522044.db2.gz YUGYFIPCUQSGJT-QFIPXVFZSA-N 1 0 377.536 4.109 20 0 GIADRO CC(C)Oc1ccc(NC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)c(C(F)(F)F)c1 ZINC000454726235 822523958 /nfs/dbraw/zinc/52/39/58/822523958.db2.gz BPXNMRMYLMWNSP-LJQANCHMSA-N 1 0 399.457 4.442 20 0 GIADRO Cc1ccc(C(=O)CC(C)(C)CC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000183763201 822524454 /nfs/dbraw/zinc/52/44/54/822524454.db2.gz JBYQCWYMWPOVGN-FQEVSTJZSA-N 1 0 384.564 4.319 20 0 GIADRO Cc1noc(C)c1CSc1ccccc1C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000046861796 822525117 /nfs/dbraw/zinc/52/51/17/822525117.db2.gz BTEJPCVAWBQSCL-OAHLLOKOSA-N 1 0 387.549 4.045 20 0 GIADRO CCOC(=O)Nc1ccc2c(C[NH2+]C3(c4cccc(F)c4)CC3)cc(=O)oc2c1 ZINC000179682224 822526574 /nfs/dbraw/zinc/52/65/74/822526574.db2.gz PYAZYFJVRHAVJW-UHFFFAOYSA-N 1 0 396.418 4.279 20 0 GIADRO Cc1ccc(NCc2cccc(OC(F)(F)F)c2)cc1NC(=O)CC[NH+](C)C ZINC000183777085 822526983 /nfs/dbraw/zinc/52/69/83/822526983.db2.gz VQFLWICCSVKJRI-UHFFFAOYSA-N 1 0 395.425 4.396 20 0 GIADRO COc1ccc([C@@H]([NH2+][C@@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)C2CC2)cc1 ZINC000179687036 822527438 /nfs/dbraw/zinc/52/74/38/822527438.db2.gz AMKMRYNUOSXACA-SBUREZEXSA-N 1 0 393.531 4.363 20 0 GIADRO COC(=O)c1ccc(C[NH2+][C@H](C)c2cccc(OCc3ccccn3)c2)c(F)c1 ZINC000179687777 822527565 /nfs/dbraw/zinc/52/75/65/822527565.db2.gz GFKXDEWNBCEABQ-MRXNPFEDSA-N 1 0 394.446 4.437 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)C[C@@H](O)c1ccc(Cl)cc1)c1ccsc1 ZINC000179687926 822527793 /nfs/dbraw/zinc/52/77/93/822527793.db2.gz BKMOAXOXNYOBNP-ZWKOTPCHSA-N 1 0 380.941 4.024 20 0 GIADRO CC[C@@H]1CCCCN1C(=O)C[NH2+][C@@H](C)c1cccc(OCc2ccccn2)c1 ZINC000179688028 822527867 /nfs/dbraw/zinc/52/78/67/822527867.db2.gz RSHNRNRLUSGBQI-GHTZIAJQSA-N 1 0 381.520 4.102 20 0 GIADRO Cc1cc2c(cc1NC(=O)NCc1ccc(C[NH+]3CCCCC3)cc1)OCO2 ZINC000183784658 822528073 /nfs/dbraw/zinc/52/80/73/822528073.db2.gz GDEWPRXPKWGSOO-UHFFFAOYSA-N 1 0 381.476 4.031 20 0 GIADRO CC(C)(C)C[C@H](NC(=O)N1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1 ZINC000046899004 822528289 /nfs/dbraw/zinc/52/82/89/822528289.db2.gz PNZQZGREMRZWGN-FQEVSTJZSA-N 1 0 384.499 4.230 20 0 GIADRO C[C@H]([NH2+]CC(=O)N1[C@H](C)CCC[C@@H]1C)c1cccc(OCc2ccccn2)c1 ZINC000179692548 822528410 /nfs/dbraw/zinc/52/84/10/822528410.db2.gz TYLZPWRWXMPPTK-OTWHNJEPSA-N 1 0 381.520 4.101 20 0 GIADRO C[C@H]([NH2+]CC(=O)N[C@H]1CCCC[C@@H]1C)c1cccc(OCc2ccccn2)c1 ZINC000179692600 822528454 /nfs/dbraw/zinc/52/84/54/822528454.db2.gz WUBWFCDUNJWIKJ-SPEDKVCISA-N 1 0 381.520 4.006 20 0 GIADRO C[NH+](C)CCCC1CCN(Cc2csc(COc3ccc(F)cc3)n2)CC1 ZINC000179698464 822529970 /nfs/dbraw/zinc/52/99/70/822529970.db2.gz BEWCLRYQUODYCO-UHFFFAOYSA-N 1 0 391.556 4.415 20 0 GIADRO C[C@H](NC(=O)N1CC2(CCC2)[C@@H]1c1ccco1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000454766969 822530312 /nfs/dbraw/zinc/53/03/12/822530312.db2.gz KOHODNUOCJTBQG-VCOUNFBDSA-N 1 0 393.531 4.427 20 0 GIADRO COc1cc([C@@H](C)[NH2+]C[C@@H](O)c2ccccc2)ccc1OCc1ccncc1 ZINC000179703004 822531079 /nfs/dbraw/zinc/53/10/79/822531079.db2.gz HGVXATNQXLNUEM-DYESRHJHSA-N 1 0 378.472 4.053 20 0 GIADRO Cn1cc(C[NH2+]Cc2cc3cc(Br)ccc3[nH]2)c(-c2cccnc2)n1 ZINC000183817442 822531351 /nfs/dbraw/zinc/53/13/51/822531351.db2.gz UPLCKLPITFXIIT-UHFFFAOYSA-N 1 0 396.292 4.016 20 0 GIADRO COc1cc([C@H](C)[NH2+]CCN2CCC(C)CC2)ccc1OCc1ccncc1 ZINC000179705483 822531535 /nfs/dbraw/zinc/53/15/35/822531535.db2.gz XFDLOUIMJILSRS-IBGZPJMESA-N 1 0 383.536 4.052 20 0 GIADRO COc1ccc(OCc2ccccn2)c(C[N@@H+]2CCC[C@H]2c2cccn2C)c1 ZINC000179705091 822531575 /nfs/dbraw/zinc/53/15/75/822531575.db2.gz XSPHKAOPAYOHQU-QFIPXVFZSA-N 1 0 377.488 4.345 20 0 GIADRO COc1ccc(C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c(OC)c1OC ZINC000046934308 822532323 /nfs/dbraw/zinc/53/23/23/822532323.db2.gz XKCJFMIPIGNSFF-MRXNPFEDSA-N 1 0 398.503 4.197 20 0 GIADRO Cc1cc(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)c(C)n1CC(F)(F)F ZINC000046935677 822532816 /nfs/dbraw/zinc/53/28/16/822532816.db2.gz NJZTUVIOWJXTAE-UHFFFAOYSA-N 1 0 395.469 4.437 20 0 GIADRO C[C@@H](CNC(=O)c1ccc(C2SCCCS2)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000046954693 822533896 /nfs/dbraw/zinc/53/38/96/822533896.db2.gz KOLYBFGPKHNZBY-CVEARBPZSA-N 1 0 378.607 4.406 20 0 GIADRO CC[C@@H]([NH2+][C@H](C)C(=O)NCc1cccc(OC)c1)c1ccccc1OC(F)F ZINC000179718089 822534257 /nfs/dbraw/zinc/53/42/57/822534257.db2.gz PQJOZXIYMZPIQO-RDTXWAMCSA-N 1 0 392.446 4.042 20 0 GIADRO CNC(=O)C(C)(C)C[NH2+][C@@H](c1ccccc1)c1cc(Br)ccc1F ZINC000183839130 822534415 /nfs/dbraw/zinc/53/44/15/822534415.db2.gz WIZCROVZZDNBNE-KRWDZBQOSA-N 1 0 393.300 4.039 20 0 GIADRO Cc1ccccc1[C@H]1CCCN1C(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000179724255 822535526 /nfs/dbraw/zinc/53/55/26/822535526.db2.gz GRFPBHHMTODPHI-XMMPIXPASA-N 1 0 392.543 4.177 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)Nc1ccc(F)cc1OCC(F)(F)F ZINC000454796798 822535868 /nfs/dbraw/zinc/53/58/68/822535868.db2.gz PATHBTYGYHWGKQ-UHFFFAOYSA-N 1 0 379.398 4.009 20 0 GIADRO Cc1ccc(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)cc1NC(=O)c1ccco1 ZINC000046990449 822536076 /nfs/dbraw/zinc/53/60/76/822536076.db2.gz SNXVHXGDQMSMHY-QGZVFWFLSA-N 1 0 397.519 4.082 20 0 GIADRO Cc1noc(C)c1COc1ccccc1C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000046990419 822536090 /nfs/dbraw/zinc/53/60/90/822536090.db2.gz PSJWSDASTFIWJR-QGZVFWFLSA-N 1 0 399.535 4.112 20 0 GIADRO COC(=O)COc1ccccc1[C@H](C)[NH2+][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000183854956 822536367 /nfs/dbraw/zinc/53/63/67/822536367.db2.gz MAZRBFMVEIWEMS-KBXCAEBGSA-N 1 0 389.879 4.456 20 0 GIADRO Cc1ccc(-c2cnc(CCC(=O)NCCCC[NH+]3CCC(C)CC3)o2)cc1 ZINC000047017027 822537838 /nfs/dbraw/zinc/53/78/38/822537838.db2.gz AADNXKPUXJGNSV-UHFFFAOYSA-N 1 0 383.536 4.211 20 0 GIADRO C[C@@H](NC(=O)C[NH2+][C@@H](CCCO)c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000179734344 822538274 /nfs/dbraw/zinc/53/82/74/822538274.db2.gz KVIDKIDBWKWVES-KUHUBIRLSA-N 1 0 395.330 4.274 20 0 GIADRO CCOc1ccccc1[C@H](CC)[NH2+][C@@H](C)C(=O)Nc1ccc(OC)cc1OC ZINC000179740846 822540261 /nfs/dbraw/zinc/54/02/61/822540261.db2.gz SRBUNXLEPAHFQR-YJBOKZPZSA-N 1 0 386.492 4.170 20 0 GIADRO Cc1ccc(-c2ncc(C[N@@H+]3CC[C@H](CNC(=O)OC(C)(C)C)C3)s2)cc1 ZINC000179742683 822541031 /nfs/dbraw/zinc/54/10/31/822541031.db2.gz QZMRRSXHQNWABI-MRXNPFEDSA-N 1 0 387.549 4.465 20 0 GIADRO C[C@H](NC(=O)NCCCCC[NH+]1CCCC1)c1ccc(Br)s1 ZINC000454826633 822541510 /nfs/dbraw/zinc/54/15/10/822541510.db2.gz KNWPZVAKROHCQQ-ZDUSSCGKSA-N 1 0 388.375 4.137 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1cccc2cc[nH]c21)c1cccc(C(F)(F)F)c1 ZINC000183893916 822541825 /nfs/dbraw/zinc/54/18/25/822541825.db2.gz ADCQJDBGNNKKDK-KRWDZBQOSA-N 1 0 375.394 4.219 20 0 GIADRO C[C@H]1CCN(C(=O)C[NH2+][C@@H](CCCO)c2ccccc2)c2ccccc2S1 ZINC000179748103 822542016 /nfs/dbraw/zinc/54/20/16/822542016.db2.gz OZGUOCQQMBEQAH-HKUYNNGSSA-N 1 0 384.545 4.007 20 0 GIADRO COc1ccc2ccccc2c1C[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000179748374 822542031 /nfs/dbraw/zinc/54/20/31/822542031.db2.gz SYCCFDGYLNRUNV-UHFFFAOYSA-N 1 0 388.511 4.377 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)NCc2ncc(-c3ccccc3)cn2)cc1)C(C)C ZINC000183894144 822541986 /nfs/dbraw/zinc/54/19/86/822541986.db2.gz QKSPOCXSHWPDNH-UHFFFAOYSA-N 1 0 388.515 4.304 20 0 GIADRO C[C@@H]1CCN(C(=O)C[NH2+][C@H](CCCO)c2ccccc2)c2ccccc2S1 ZINC000179748118 822542057 /nfs/dbraw/zinc/54/20/57/822542057.db2.gz OZGUOCQQMBEQAH-IEBWSBKVSA-N 1 0 384.545 4.007 20 0 GIADRO CC(C)c1cccc(C(C)C)c1NC(=O)C[N@@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000183897044 822542129 /nfs/dbraw/zinc/54/21/29/822542129.db2.gz KEJCRZQTWKEKEO-SFHVURJKSA-N 1 0 388.552 4.347 20 0 GIADRO CCc1noc(-c2ccc(CC[NH2+]C3CCC(c4nc(CC)no4)CC3)cc2)n1 ZINC000183897890 822542422 /nfs/dbraw/zinc/54/24/22/822542422.db2.gz FWHMYXHNNNDDOG-UHFFFAOYSA-N 1 0 395.507 4.103 20 0 GIADRO COc1ccccc1COC1CC[NH+](Cc2cccc(OC(F)F)c2)CC1 ZINC000179751413 822542672 /nfs/dbraw/zinc/54/26/72/822542672.db2.gz HEIOIQPEKCYMIF-UHFFFAOYSA-N 1 0 377.431 4.478 20 0 GIADRO Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000179752357 822542952 /nfs/dbraw/zinc/54/29/52/822542952.db2.gz METQHRVRLIKKOR-FPOVZHCZSA-N 1 0 392.547 4.194 20 0 GIADRO OC[C@@H]([NH2+]Cc1ccccc1Oc1cccnc1)c1cccc(Br)c1 ZINC000183901691 822543103 /nfs/dbraw/zinc/54/31/03/822543103.db2.gz XEOZTKFEMJESGX-LJQANCHMSA-N 1 0 399.288 4.460 20 0 GIADRO C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[NH2+][C@H](CCCO)c1ccccc1 ZINC000179753076 822543119 /nfs/dbraw/zinc/54/31/19/822543119.db2.gz BMNKRTANGCLELJ-YLJYHZDGSA-N 1 0 380.488 4.056 20 0 GIADRO O=C(Nc1ccc2c(c1)OCO2)C1CC[NH+](Cc2coc3ccccc23)CC1 ZINC000179754305 822543639 /nfs/dbraw/zinc/54/36/39/822543639.db2.gz XJJFQKBOJZOFEC-UHFFFAOYSA-N 1 0 378.428 4.012 20 0 GIADRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]C1(c2ccc(F)cc2F)CCC1 ZINC000179754795 822543897 /nfs/dbraw/zinc/54/38/97/822543897.db2.gz QYVTZWIQQWCLMY-LBPRGKRZSA-N 1 0 379.838 4.399 20 0 GIADRO O=C(C[NH2+][C@@H](CCCO)c1ccccc1)N[C@H](c1ccccc1)C1CCCC1 ZINC000179756155 822544248 /nfs/dbraw/zinc/54/42/48/822544248.db2.gz GURWFWRTLWXNKP-LADGPHEKSA-N 1 0 380.532 4.138 20 0 GIADRO CCN1c2ccc(N[C@H](C)c3cccc(OCC[NH+](C)C)c3)cc2CCC1=O ZINC000183913937 822545123 /nfs/dbraw/zinc/54/51/23/822545123.db2.gz HBXADCHFOKZXIU-QGZVFWFLSA-N 1 0 381.520 4.099 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCC1)N[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000183914691 822545416 /nfs/dbraw/zinc/54/54/16/822545416.db2.gz MZHXDCFXZZBECO-XZOQPEGZSA-N 1 0 393.531 4.002 20 0 GIADRO CCc1cccc(CC)c1NC(=O)C[NH2+][C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000179760969 822545511 /nfs/dbraw/zinc/54/55/11/822545511.db2.gz WWYUOWYXSCRLFF-MRXNPFEDSA-N 1 0 393.531 4.449 20 0 GIADRO Cc1cnc(C(C)(C)[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)s1 ZINC000183925108 822547970 /nfs/dbraw/zinc/54/79/70/822547970.db2.gz PRDWWEWQXNRTLM-LBPRGKRZSA-N 1 0 375.321 4.023 20 0 GIADRO CC[C@H]([NH2+][C@H](C)c1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1ccc(OC)cc1 ZINC000179767566 822548198 /nfs/dbraw/zinc/54/81/98/822548198.db2.gz RYPAYEWMXGRQEV-VFNWGFHPSA-N 1 0 395.503 4.112 20 0 GIADRO CC(C)(C[NH+]1CCCC1)NC(=O)Nc1ccc(COCc2ccccc2)cc1 ZINC000454867797 822548646 /nfs/dbraw/zinc/54/86/46/822548646.db2.gz XIIPRRYIIZGXBX-UHFFFAOYSA-N 1 0 381.520 4.399 20 0 GIADRO C[C@H](CCCC(F)(F)F)NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000454868823 822548728 /nfs/dbraw/zinc/54/87/28/822548728.db2.gz YLTLNLBCSBCFDU-DLBZAZTESA-N 1 0 385.474 4.271 20 0 GIADRO C[C@H](C[N@H+](C)Cc1cc2c(cc1Br)OCCCO2)c1nccs1 ZINC000183929986 822548881 /nfs/dbraw/zinc/54/88/81/822548881.db2.gz HIYKRMAZTPLPTB-GFCCVEGCSA-N 1 0 397.338 4.302 20 0 GIADRO C[C@H]1CC[C@H](Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)c2ccccc21 ZINC000179769944 822548941 /nfs/dbraw/zinc/54/89/41/822548941.db2.gz YKFSUZIEFRWGNM-SBUREZEXSA-N 1 0 377.532 4.434 20 0 GIADRO COc1ccc(OCc2ccccn2)c(CN2CCC[N@@H+](C3CCCC3)CC2)c1 ZINC000179769384 822549007 /nfs/dbraw/zinc/54/90/07/822549007.db2.gz PFUVTIKNDWBEJP-UHFFFAOYSA-N 1 0 395.547 4.120 20 0 GIADRO COc1ccc(CN2CCC[N@@H+](C3CCCC3)CC2)cc1OCc1cccnc1 ZINC000179771283 822549411 /nfs/dbraw/zinc/54/94/11/822549411.db2.gz CACPOGLKEMTROO-UHFFFAOYSA-N 1 0 395.547 4.120 20 0 GIADRO CC(C)[C@@H](NC(=O)C[NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1)c1ccccc1 ZINC000179773492 822550007 /nfs/dbraw/zinc/55/00/07/822550007.db2.gz PMGNJYSMJGRLBR-GAJHUEQPSA-N 1 0 393.531 4.199 20 0 GIADRO CC[NH+]1CCN(c2ccccc2N[C@H](C)c2ccc(OC)c(COC)c2)CC1 ZINC000179775888 822550455 /nfs/dbraw/zinc/55/04/55/822550455.db2.gz FTOKPKZIUGHFSF-GOSISDBHSA-N 1 0 383.536 4.157 20 0 GIADRO CC[NH+]1CCN(c2ccccc2N[C@H](C)c2ncc(Br)s2)CC1 ZINC000179776807 822550664 /nfs/dbraw/zinc/55/06/64/822550664.db2.gz VPKMGDUFKZVSDH-CYBMUJFWSA-N 1 0 395.370 4.221 20 0 GIADRO CCC[C@H](NC(=O)C[NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1)c1ccccc1 ZINC000179776959 822550854 /nfs/dbraw/zinc/55/08/54/822550854.db2.gz LMNMYFSHADYQKX-JTSKRJEESA-N 1 0 393.531 4.343 20 0 GIADRO CCCOc1c(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)cccc1OCC ZINC000179778802 822551002 /nfs/dbraw/zinc/55/10/02/822551002.db2.gz REXBMCKOUYFXHY-LJQANCHMSA-N 1 0 394.519 4.296 20 0 GIADRO COC1CCN(c2ccc(N[C@H]3CC[N@H+](C)[C@H](C)C3)cc2C(F)(F)F)CC1 ZINC000179782848 822551893 /nfs/dbraw/zinc/55/18/93/822551893.db2.gz UDHYIZQBHYRXOO-ZBFHGGJFSA-N 1 0 385.474 4.215 20 0 GIADRO C[C@H]1CN(C(=O)Nc2c(F)cc(F)cc2F)CC[N@H+](Cc2ccccc2)C1 ZINC000454895256 822552525 /nfs/dbraw/zinc/55/25/25/822552525.db2.gz GVMQMHOEOCAZBR-CQSZACIVSA-N 1 0 377.410 4.090 20 0 GIADRO C[C@@H]1CN(C(=O)Nc2c(F)cc(F)cc2F)CC[N@H+](Cc2ccccc2)C1 ZINC000454895254 822552568 /nfs/dbraw/zinc/55/25/68/822552568.db2.gz GVMQMHOEOCAZBR-AWEZNQCLSA-N 1 0 377.410 4.090 20 0 GIADRO CCCCN(C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C)[C@H]1CCC[C@H](C)C1 ZINC000454897065 822552737 /nfs/dbraw/zinc/55/27/37/822552737.db2.gz XPBDCBFKKHCGNS-LPHOPBHVSA-N 1 0 388.556 4.060 20 0 GIADRO COc1ccccc1C1(C[NH2+][C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)CCC1 ZINC000183957799 822553866 /nfs/dbraw/zinc/55/38/66/822553866.db2.gz OEYVPXWUCZMGCL-OAHLLOKOSA-N 1 0 391.508 4.010 20 0 GIADRO Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000047213697 822554757 /nfs/dbraw/zinc/55/47/57/822554757.db2.gz BRGZPGWOZDZLSU-MRXNPFEDSA-N 1 0 386.515 4.013 20 0 GIADRO COCCc1noc(C[NH2+][C@H](Cc2ccc(Cl)cc2)C2CCCCC2)n1 ZINC000179799856 822555181 /nfs/dbraw/zinc/55/51/81/822555181.db2.gz LXKFZVMEBFCUFR-GOSISDBHSA-N 1 0 377.916 4.193 20 0 GIADRO Cc1ccc(CN(C)C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1C ZINC000454914590 822555921 /nfs/dbraw/zinc/55/59/21/822555921.db2.gz WRMGIPSXPOQMQJ-UHFFFAOYSA-N 1 0 397.485 4.250 20 0 GIADRO Cc1cccc([C@@H](C)NC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c1 ZINC000454917083 822556496 /nfs/dbraw/zinc/55/64/96/822556496.db2.gz YFCPDJUJSSOFSE-RWBZWWBESA-N 1 0 383.458 4.161 20 0 GIADRO CC(C)[C@H]([NH2+]CCc1cc(Cl)c2c(c1)OCCCO2)c1nc(C2CC2)no1 ZINC000179810006 822557390 /nfs/dbraw/zinc/55/73/90/822557390.db2.gz BEKZYRITLQAQKC-KRWDZBQOSA-N 1 0 391.899 4.291 20 0 GIADRO C[C@@H]1CN(C(=O)Nc2ccc3c(c2)C(=O)CCC3)CC[N@H+](Cc2ccccc2)C1 ZINC000454926316 822558266 /nfs/dbraw/zinc/55/82/66/822558266.db2.gz NEPROKZGQQSZQJ-SFHVURJKSA-N 1 0 391.515 4.191 20 0 GIADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCC[C@@H]1CCCCO1 ZINC000183986921 822558437 /nfs/dbraw/zinc/55/84/37/822558437.db2.gz FRGLPARYUDZYPL-YOEHRIQHSA-N 1 0 383.330 4.105 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)NCc2ccc(C(F)F)cc2)c1 ZINC000183988868 822558868 /nfs/dbraw/zinc/55/88/68/822558868.db2.gz YYRZFZYAHXIONY-UHFFFAOYSA-N 1 0 375.463 4.465 20 0 GIADRO COc1ccc(C)cc1NC(=O)C[NH2+]C(C)(C)c1ccc(Br)cc1 ZINC000047258158 822559294 /nfs/dbraw/zinc/55/92/94/822559294.db2.gz KCQKEZHNLGKWHS-UHFFFAOYSA-N 1 0 391.309 4.230 20 0 GIADRO Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000454947680 822561769 /nfs/dbraw/zinc/56/17/69/822561769.db2.gz NSXYODPEXLHLIN-XXBNENTESA-N 1 0 384.568 4.323 20 0 GIADRO CC(C)c1c(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cnn1-c1cccc(Cl)c1 ZINC000047287108 822562193 /nfs/dbraw/zinc/56/21/93/822562193.db2.gz GVUZVCGHQHIWAX-RTBURBONSA-N 1 0 386.927 4.006 20 0 GIADRO Cn1nccc1CC[NH2+][C@H](c1ccccc1)c1ccc(Br)cc1F ZINC000184010130 822563293 /nfs/dbraw/zinc/56/32/93/822563293.db2.gz PKIRSJARGTTYIL-LJQANCHMSA-N 1 0 388.284 4.243 20 0 GIADRO O=C(c1csc(-c2ccc(F)c(F)c2)n1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000184013342 822563995 /nfs/dbraw/zinc/56/39/95/822563995.db2.gz MCAHGTCUZGVOFG-AWEZNQCLSA-N 1 0 391.487 4.036 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)NC2CCC(OC(C)C)CC2)CC1 ZINC000184015268 822564255 /nfs/dbraw/zinc/56/42/55/822564255.db2.gz BCADANCJBNFGJA-UHFFFAOYSA-N 1 0 381.605 4.266 20 0 GIADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2oc3ccccc3c2C)c1 ZINC000047330232 822567315 /nfs/dbraw/zinc/56/73/15/822567315.db2.gz FEXLDNOFWHQQME-UHFFFAOYSA-N 1 0 393.487 4.065 20 0 GIADRO COc1ccccc1CSc1ccccc1NC(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000454994950 822567355 /nfs/dbraw/zinc/56/73/55/822567355.db2.gz HSFXBCQFGBFUPH-INIZCTEOSA-N 1 0 385.533 4.061 20 0 GIADRO CCOc1ccc(-c2nc(C[NH2+][C@@H](C)C3CCOCC3)cs2)cc1OC ZINC000179864592 822568372 /nfs/dbraw/zinc/56/83/72/822568372.db2.gz PWHJCTKJUVOZMK-AWEZNQCLSA-N 1 0 376.522 4.122 20 0 GIADRO COc1ccc(NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1Cl ZINC000047338697 822568536 /nfs/dbraw/zinc/56/85/36/822568536.db2.gz QRQQHRKTHSXYPF-UHFFFAOYSA-N 1 0 391.874 4.274 20 0 GIADRO CCCCn1ncc(NC(=O)NC[C@@H](c2ccc(SC)cc2)[NH+](C)C)c1C ZINC000455004999 822569075 /nfs/dbraw/zinc/56/90/75/822569075.db2.gz TUSHRYSVLWSQOC-IBGZPJMESA-N 1 0 389.569 4.138 20 0 GIADRO Cc1nc(COc2ccc(C[NH+]3CCC(C(=O)c4ccccc4)CC3)cc2)no1 ZINC000179879997 822570558 /nfs/dbraw/zinc/57/05/58/822570558.db2.gz VWSZVMLQLDOERZ-UHFFFAOYSA-N 1 0 391.471 4.052 20 0 GIADRO CC[C@H](C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccc(OC)cc1 ZINC000179881214 822570641 /nfs/dbraw/zinc/57/06/41/822570641.db2.gz LAVLBVINYROHGQ-QFIPXVFZSA-N 1 0 384.495 4.109 20 0 GIADRO CCOc1cc(C[NH+]2CCC(C(=O)c3ccc(OC)cc3)CC2)ccc1OC ZINC000179881127 822570713 /nfs/dbraw/zinc/57/07/13/822570713.db2.gz GEGAHJLGFJEWIK-UHFFFAOYSA-N 1 0 383.488 4.197 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)c2cc(-c3ccc(F)cc3)on2)CC1 ZINC000184070100 822573791 /nfs/dbraw/zinc/57/37/91/822573791.db2.gz XAWNNZQRHAATMI-UHFFFAOYSA-N 1 0 387.499 4.455 20 0 GIADRO N#Cc1ccc(C[NH+]2CCC(Nc3ccc(N4CCSCC4)cc3)CC2)cc1 ZINC000179903277 822574222 /nfs/dbraw/zinc/57/42/22/822574222.db2.gz ROQLZWWBCBIOTF-UHFFFAOYSA-N 1 0 392.572 4.188 20 0 GIADRO Clc1cccc(N2CCCC2)c1C[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000179907322 822574776 /nfs/dbraw/zinc/57/47/76/822574776.db2.gz JHYPBVWIMRKNJW-SFHVURJKSA-N 1 0 378.944 4.100 20 0 GIADRO C[C@@H](CC(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1)NC(=O)c1ccccc1 ZINC000047402036 822575535 /nfs/dbraw/zinc/57/55/35/822575535.db2.gz NYJGBGCXQMDHJY-IBGZPJMESA-N 1 0 393.531 4.066 20 0 GIADRO CC[C@@H]([NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1)c1cnn(C)c1 ZINC000184083979 822575599 /nfs/dbraw/zinc/57/55/99/822575599.db2.gz FRRKXFGNETVGKO-LJQANCHMSA-N 1 0 381.351 4.432 20 0 GIADRO O=C(NC1CC[NH+](Cc2cccc(OCc3ccccc3Cl)c2)CC1)C1CC1 ZINC000179917156 822576703 /nfs/dbraw/zinc/57/67/03/822576703.db2.gz BHWPWPDCUVIZDG-UHFFFAOYSA-N 1 0 398.934 4.410 20 0 GIADRO COC[C@@H]([NH2+]CCCc1nc(-c2ccc(F)cc2)no1)c1ccc(F)c(F)c1 ZINC000184097190 822577376 /nfs/dbraw/zinc/57/73/76/822577376.db2.gz IPTNHXOVOSYUAY-GOSISDBHSA-N 1 0 391.393 4.064 20 0 GIADRO CC1CC[NH+](Cc2ccc(NC(=O)c3ccc4c(c3)NC(=O)CS4)cc2)CC1 ZINC000047427378 822578508 /nfs/dbraw/zinc/57/85/08/822578508.db2.gz ZPRWSSGKUYDIPD-UHFFFAOYSA-N 1 0 395.528 4.215 20 0 GIADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)Nc3cccc(-c4ccc5c(c4)CCO5)c3)C2)C1 ZINC000455043738 822578785 /nfs/dbraw/zinc/57/87/85/822578785.db2.gz BDLOVLKULLVBAC-DEOSSOPVSA-N 1 0 391.515 4.238 20 0 GIADRO CCCN(CCc1cccs1)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000184117295 822580968 /nfs/dbraw/zinc/58/09/68/822580968.db2.gz FUPUJFQJMPUIEV-UHFFFAOYSA-N 1 0 377.529 4.113 20 0 GIADRO Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000047453820 822581000 /nfs/dbraw/zinc/58/10/00/822581000.db2.gz BCIWQTLTRFQWCH-UHFFFAOYSA-N 1 0 383.473 4.216 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)c2ccccc2C(=O)c2ccc(F)cc2)c1 ZINC000047460386 822581465 /nfs/dbraw/zinc/58/14/65/822581465.db2.gz BKBROQMNRMRKGT-UHFFFAOYSA-N 1 0 376.431 4.371 20 0 GIADRO CC(C)CCC(=O)NCCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000047460964 822581518 /nfs/dbraw/zinc/58/15/18/822581518.db2.gz VKLICHNMICAVKR-UHFFFAOYSA-N 1 0 399.501 4.160 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1ccc(Cl)cc1C(F)(F)F ZINC000184120959 822581758 /nfs/dbraw/zinc/58/17/58/822581758.db2.gz OPLKHHVTROGALA-UHFFFAOYSA-N 1 0 397.828 4.148 20 0 GIADRO O=C(NCCC[C@@H]1CCCCO1)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000184129439 822583198 /nfs/dbraw/zinc/58/31/98/822583198.db2.gz MOWPRNJKOSWRCO-FQEVSTJZSA-N 1 0 389.540 4.022 20 0 GIADRO CCc1noc(C)c1CNC(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000455067739 822583839 /nfs/dbraw/zinc/58/38/39/822583839.db2.gz YJIVSWSPFBEBEF-UHFFFAOYSA-N 1 0 384.524 4.142 20 0 GIADRO CC(C)[N@@H+](Cc1ccc(NC(=O)N2CC[C@H](F)C2)cc1)C[C@H]1CCCCO1 ZINC000455073340 822584929 /nfs/dbraw/zinc/58/49/29/822584929.db2.gz HJEDPNFHHCRTJG-AZUAARDMSA-N 1 0 377.504 4.042 20 0 GIADRO CC(C)[N@@H+](Cc1ccc(NC(=O)N2CC[C@@H]2C2CC2)cc1)C[C@@H]1CCCCO1 ZINC000455079583 822586331 /nfs/dbraw/zinc/58/63/31/822586331.db2.gz SYWMSTLJQTXMNL-FCHUYYIVSA-N 1 0 385.552 4.482 20 0 GIADRO COc1cccc([C@H](C[NH2+][C@H](C)c2nc3ccc(Cl)cc3n2C)N(C)C)c1 ZINC000179968541 822587487 /nfs/dbraw/zinc/58/74/87/822587487.db2.gz IUKQYHKTPSTRDZ-VLIAUNLRSA-N 1 0 386.927 4.189 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccc(-n2cc[nH]c2=S)cc1 ZINC000047536366 822588224 /nfs/dbraw/zinc/58/82/24/822588224.db2.gz ZYMOYUGWOWDSBH-UHFFFAOYSA-N 1 0 392.528 4.061 20 0 GIADRO CC1(C)CN(C(=O)Nc2ccc(F)cn2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000455100353 822588866 /nfs/dbraw/zinc/58/88/66/822588866.db2.gz MVSYPSXNJFLKLG-OAQYLSRUSA-N 1 0 396.510 4.375 20 0 GIADRO C[C@@H](C[N@H+](C)Cc1ccc([S@](C)=O)cc1)c1cccc(Br)c1 ZINC000179978992 822589453 /nfs/dbraw/zinc/58/94/53/822589453.db2.gz ILBZWWJVVZHYDZ-FPTDNZKUSA-N 1 0 380.351 4.422 20 0 GIADRO O=C(NCCCCC[NH+]1CCCC1)N1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000455106061 822589662 /nfs/dbraw/zinc/58/96/62/822589662.db2.gz ADURFDPLJQZUJB-UHFFFAOYSA-N 1 0 388.943 4.155 20 0 GIADRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccc(-n2cc[nH]c2=S)cc1 ZINC000047558002 822590627 /nfs/dbraw/zinc/59/06/27/822590627.db2.gz NRABKHJXRWHAHB-HXUWFJFHSA-N 1 0 392.528 4.102 20 0 GIADRO c1ccc(CCC[C@@H]([NH2+]C[C@H]2COC3(CCOCC3)O2)c2ccccc2)cc1 ZINC000179985756 822590962 /nfs/dbraw/zinc/59/09/62/822590962.db2.gz DUDPXOFBCOMQGG-XZOQPEGZSA-N 1 0 381.516 4.262 20 0 GIADRO Cc1c2ccc3ccccc3c2oc1C(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000184177115 822591181 /nfs/dbraw/zinc/59/11/81/822591181.db2.gz ILIVLLUDTLWGCD-UHFFFAOYSA-N 1 0 393.531 4.040 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc(-n3cc[nH]c3=S)cc2)cc1 ZINC000047572238 822592569 /nfs/dbraw/zinc/59/25/69/822592569.db2.gz LJEPATNQBLPLDC-UHFFFAOYSA-N 1 0 394.544 4.307 20 0 GIADRO COc1ccc(NC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)cc1OC(C)C ZINC000184190227 822593396 /nfs/dbraw/zinc/59/33/96/822593396.db2.gz IKQFONRIYSQDSV-QGZVFWFLSA-N 1 0 377.529 4.116 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CSc2ccccc21 ZINC000455128484 822593478 /nfs/dbraw/zinc/59/34/78/822593478.db2.gz UFQWIHOHEOCGQD-PMACEKPBSA-N 1 0 395.572 4.039 20 0 GIADRO Cc1csc2nc(C[NH2+]C3(c4cccc(C(F)(F)F)c4)CCC3)cc(=O)n12 ZINC000180001915 822593594 /nfs/dbraw/zinc/59/35/94/822593594.db2.gz XFFRECREXRAPBF-UHFFFAOYSA-N 1 0 393.434 4.252 20 0 GIADRO CC[C@@H]1Oc2cc([C@H](C)[NH2+]CC(=O)Nc3c(C)cc(C)cc3C)ccc2NC1=O ZINC000180005344 822594226 /nfs/dbraw/zinc/59/42/26/822594226.db2.gz UCCTZKYQMROPMK-LPHOPBHVSA-N 1 0 395.503 4.011 20 0 GIADRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]CC(=O)Nc3ccc(C(C)C)cc3)ccc2NC1=O ZINC000180008489 822594895 /nfs/dbraw/zinc/59/48/95/822594895.db2.gz CRWLDDGWJXLFQX-QRWLVFNGSA-N 1 0 395.503 4.209 20 0 GIADRO O=C(Nc1ccccc1OC1CCCC1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000047600812 822595316 /nfs/dbraw/zinc/59/53/16/822595316.db2.gz VOWPYTOVNHQIRT-UHFFFAOYSA-N 1 0 394.519 4.189 20 0 GIADRO Brc1cccc2c1CC[C@@H]2[NH2+]Cc1cccc(Cn2ccnc2)c1 ZINC000180009096 822595357 /nfs/dbraw/zinc/59/53/57/822595357.db2.gz BJMCJOVHAQJSDK-FQEVSTJZSA-N 1 0 382.305 4.471 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000180010444 822595818 /nfs/dbraw/zinc/59/58/18/822595818.db2.gz BTSBRNJFFSRHLN-HRAATJIYSA-N 1 0 386.923 4.105 20 0 GIADRO C[C@H]([NH2+]C[C@@H]1COC2(CCCCCC2)O1)c1ccc(OCc2nccn2C)cc1 ZINC000180011006 822596010 /nfs/dbraw/zinc/59/60/10/822596010.db2.gz HHVWGVGEYALJQD-GHTZIAJQSA-N 1 0 399.535 4.116 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(F)c(F)c2)cc1OC ZINC000047609054 822596502 /nfs/dbraw/zinc/59/65/02/822596502.db2.gz ILBSDIBKMWQNQL-CHWSQXEVSA-N 1 0 378.419 4.050 20 0 GIADRO Cn1cc(C[NH+]2CCC(C(=O)Nc3ccc(F)cc3)CC2)c(-c2ccccc2)n1 ZINC000180013502 822596599 /nfs/dbraw/zinc/59/65/99/822596599.db2.gz DPHWANLOQYAHHC-UHFFFAOYSA-N 1 0 392.478 4.077 20 0 GIADRO O=C1CCCN1Cc1cccc(C[NH2+][C@H]2CCc3c2cccc3Br)c1 ZINC000180014753 822596829 /nfs/dbraw/zinc/59/68/29/822596829.db2.gz XJDCARRUFBJNDM-FQEVSTJZSA-N 1 0 399.332 4.349 20 0 GIADRO CCCc1c(NC(=O)NC(C)(C)CCC[NH+](C)C)cnn1-c1cccc(F)c1 ZINC000455148018 822596989 /nfs/dbraw/zinc/59/69/89/822596989.db2.gz VGZNCAAYWRKHOE-UHFFFAOYSA-N 1 0 389.519 4.206 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[NH2+][C@H](c2ccc(Cl)cc2)[C@H]2C[C@@H]2C)c1 ZINC000180017260 822597487 /nfs/dbraw/zinc/59/74/87/822597487.db2.gz XTPYRSHMWPEDKO-IBNJYYFUSA-N 1 0 388.895 4.283 20 0 GIADRO CC(C)[C@@H]([NH2+]Cc1cccnc1-n1cncn1)c1cccc(C(F)(F)F)c1 ZINC000180019670 822597939 /nfs/dbraw/zinc/59/79/39/822597939.db2.gz GEQWJWNEHXQRQI-QGZVFWFLSA-N 1 0 375.398 4.168 20 0 GIADRO C[C@H]1CN(c2ccc(C[NH2+][C@@H](c3ccccc3F)C3CCCC3)cn2)CCO1 ZINC000180021150 822598287 /nfs/dbraw/zinc/59/82/87/822598287.db2.gz HDEVLIKDZPHPNH-GAJHUEQPSA-N 1 0 383.511 4.467 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)C[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]2C[C@H]2C)c1 ZINC000180023338 822598770 /nfs/dbraw/zinc/59/87/70/822598770.db2.gz HSUBHPAWXKAKHW-WHIIXXIBSA-N 1 0 385.895 4.224 20 0 GIADRO COc1cc(C)c(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)cc1F ZINC000455166293 822600635 /nfs/dbraw/zinc/60/06/35/822600635.db2.gz SUEDEFSIEKSVHI-MRXNPFEDSA-N 1 0 385.483 4.129 20 0 GIADRO CCCC(=O)Nc1cccc(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000047715113 822602838 /nfs/dbraw/zinc/60/28/38/822602838.db2.gz WVJWBBXWZAMEEV-LJQANCHMSA-N 1 0 398.507 4.367 20 0 GIADRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N[C@@H](c1nccs1)c1ccccc1 ZINC000455181651 822603049 /nfs/dbraw/zinc/60/30/49/822603049.db2.gz CPIDHQADJGHROS-RBUKOAKNSA-N 1 0 386.565 4.042 20 0 GIADRO CCCC(=O)Nc1cccc(NC(=O)NCc2ccccc2C[NH+]2CCCC2)c1 ZINC000047715605 822603297 /nfs/dbraw/zinc/60/32/97/822603297.db2.gz KBJSBFRKPNWRBT-UHFFFAOYSA-N 1 0 394.519 4.343 20 0 GIADRO COc1cccc(CC[NH2+]Cc2ccc(OCc3ccncc3)c(OC)c2)c1 ZINC000047720621 822603877 /nfs/dbraw/zinc/60/38/77/822603877.db2.gz KGDITTHWTNWMBQ-UHFFFAOYSA-N 1 0 378.472 4.010 20 0 GIADRO CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]Cc2cccc(OC)c2OC)cc1 ZINC000047724621 822604160 /nfs/dbraw/zinc/60/41/60/822604160.db2.gz SQSAKEOAAVAYMT-INIZCTEOSA-N 1 0 385.508 4.428 20 0 GIADRO Cc1cc(C)c(NC(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1Br ZINC000455190264 822604517 /nfs/dbraw/zinc/60/45/17/822604517.db2.gz HDUVZMDXSOMYKQ-GOSISDBHSA-N 1 0 380.330 4.016 20 0 GIADRO O=S(=O)(CC[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1)c1ccccc1 ZINC000180051243 822604881 /nfs/dbraw/zinc/60/48/81/822604881.db2.gz NUGOPRBWXAASFA-SFHVURJKSA-N 1 0 383.435 4.220 20 0 GIADRO C[C@@H](C[S@@](C)=O)[NH2+]Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000184261432 822604924 /nfs/dbraw/zinc/60/49/24/822604924.db2.gz AWSQYYSRPOZSES-RKNYENMMSA-N 1 0 386.344 4.429 20 0 GIADRO CSc1ccc([C@@H](CNC(=O)Nc2cnn([C@@H](C)C3CC3)c2)[NH+](C)C)cc1 ZINC000455209641 822609292 /nfs/dbraw/zinc/60/92/92/822609292.db2.gz NJTAKHSONNKQQM-IFXJQAMLSA-N 1 0 387.553 4.000 20 0 GIADRO N#Cc1ccc(OCCC[NH+]2CCC(C(=O)c3cc(F)ccc3F)CC2)cc1 ZINC000047797027 822609495 /nfs/dbraw/zinc/60/94/95/822609495.db2.gz LVLVBDPPLFKRIR-UHFFFAOYSA-N 1 0 384.426 4.200 20 0 GIADRO C[C@@H](C[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1)c1nccs1 ZINC000184292679 822609839 /nfs/dbraw/zinc/60/98/39/822609839.db2.gz XDHOIQYOLKEAIU-NSHDSACASA-N 1 0 377.311 4.189 20 0 GIADRO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+]C[C@@H](C)c1nccs1 ZINC000184292526 822609842 /nfs/dbraw/zinc/60/98/42/822609842.db2.gz FLNSODOGDKWBKS-GFCCVEGCSA-N 1 0 378.904 4.382 20 0 GIADRO C[NH+](C)CCN(C(=O)c1cnc(Cc2ccccc2F)s1)c1ccccc1 ZINC000184296937 822610420 /nfs/dbraw/zinc/61/04/20/822610420.db2.gz GFFYLHYVLYDHQW-UHFFFAOYSA-N 1 0 383.492 4.081 20 0 GIADRO Cc1cc2occ(C(=O)N(C)C3CC[NH+](CCc4ccccn4)CC3)c2cc1C ZINC000184299205 822610617 /nfs/dbraw/zinc/61/06/17/822610617.db2.gz HZRQROAPDAQRMM-UHFFFAOYSA-N 1 0 391.515 4.224 20 0 GIADRO O=C(Nc1cccc(OCCc2ccccc2)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000047806479 822610964 /nfs/dbraw/zinc/61/09/64/822610964.db2.gz HRBYEFCUJYOOLJ-UHFFFAOYSA-N 1 0 393.531 4.400 20 0 GIADRO CC(C)Cc1ccc([C@H]([NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)C2CC2)cc1 ZINC000180080344 822611142 /nfs/dbraw/zinc/61/11/42/822611142.db2.gz QMDOKLWHMQEGOA-AOMKIAJQSA-N 1 0 386.561 4.334 20 0 GIADRO COc1cccc(N2CC[C@H](C[NH2+][C@@H](C)c3nc4ccc(Cl)cc4n3C)C2)c1 ZINC000180083323 822611671 /nfs/dbraw/zinc/61/16/71/822611671.db2.gz NNYNHQZZQLONLK-JKSUJKDBSA-N 1 0 398.938 4.412 20 0 GIADRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1c(F)ccc(F)c1F ZINC000184313107 822612817 /nfs/dbraw/zinc/61/28/17/822612817.db2.gz FILKGUFWPMDULV-UHFFFAOYSA-N 1 0 380.435 4.213 20 0 GIADRO C[NH+](C)CCc1ccccc1NC(=O)NCCOc1ccc(Cl)c(Cl)c1 ZINC000455228943 822613172 /nfs/dbraw/zinc/61/31/72/822613172.db2.gz OAKVTCOMJWYHMG-UHFFFAOYSA-N 1 0 396.318 4.298 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)N[C@H]1CCCOc2c(F)cccc21 ZINC000180096427 822614708 /nfs/dbraw/zinc/61/47/08/822614708.db2.gz VGISXTLBGICVRE-NRFANRHFSA-N 1 0 397.494 4.003 20 0 GIADRO COc1cc([C@@H](C)[NH2+]CC(=O)Nc2cccnc2Cl)ccc1OCC(C)C ZINC000180098381 822614910 /nfs/dbraw/zinc/61/49/10/822614910.db2.gz GVSWYYDQICFCNE-CQSZACIVSA-N 1 0 391.899 4.068 20 0 GIADRO Cc1cccc(Oc2ccccc2C[NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)c1 ZINC000180101645 822615484 /nfs/dbraw/zinc/61/54/84/822615484.db2.gz YKPAEAHXNRSJLJ-KRWDZBQOSA-N 1 0 396.512 4.286 20 0 GIADRO C[C@@H]([NH2+]Cc1ccccc1Sc1ccccc1)c1ccc(S(N)(=O)=O)cc1 ZINC000180104147 822615862 /nfs/dbraw/zinc/61/58/62/822615862.db2.gz DAJIRKCTIKKTQH-MRXNPFEDSA-N 1 0 398.553 4.336 20 0 GIADRO CCC(CC)n1nc(C)cc1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000180104043 822615883 /nfs/dbraw/zinc/61/58/83/822615883.db2.gz XPJQVEGHUHKTKU-UHFFFAOYSA-N 1 0 388.581 4.256 20 0 GIADRO CC(C)Oc1cccc([C@@H](C)NC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000047882490 822616309 /nfs/dbraw/zinc/61/63/09/822616309.db2.gz BSALEKAXEXEBOK-YLJYHZDGSA-N 1 0 385.508 4.264 20 0 GIADRO COc1ccc2oc([C@H](C)[NH2+][C@H](C)C(=O)NCc3ccccc3OC)c(C)c2c1 ZINC000184332683 822617064 /nfs/dbraw/zinc/61/70/64/822617064.db2.gz TXDZSDXJVNSSHO-JKSUJKDBSA-N 1 0 396.487 4.114 20 0 GIADRO CCCN1c2ccc(N[C@@H](C)c3cccc(OCC[NH+](C)C)c3)cc2CCC1=O ZINC000180113302 822617873 /nfs/dbraw/zinc/61/78/73/822617873.db2.gz DEHVKJYXEFPHDX-SFHVURJKSA-N 1 0 395.547 4.489 20 0 GIADRO COc1ccc2oc([C@H](C)[NH2+]CC(=O)N3CCC[C@@H](C(F)(F)F)C3)c(C)c2c1 ZINC000184342243 822618800 /nfs/dbraw/zinc/61/88/00/822618800.db2.gz VXTHRMYENYWESY-UONOGXRCSA-N 1 0 398.425 4.201 20 0 GIADRO CC(C)Oc1ccc([C@H](O)C[NH2+][C@@H](C)c2nc3ccc(Cl)cc3n2C)cc1 ZINC000180118415 822618861 /nfs/dbraw/zinc/61/88/61/822618861.db2.gz PYEKFIJLMRULHB-VBKZILBWSA-N 1 0 387.911 4.398 20 0 GIADRO O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000180119031 822619085 /nfs/dbraw/zinc/61/90/85/822619085.db2.gz KGJHPZIGOJDJGR-IBGZPJMESA-N 1 0 399.362 4.330 20 0 GIADRO CCc1nn(C)cc1C[NH2+][C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000180122503 822619903 /nfs/dbraw/zinc/61/99/03/822619903.db2.gz GRWAEOWMVRXUNF-OAQYLSRUSA-N 1 0 377.467 4.002 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)N[C@H]1CCCC[C@H]1CC(F)(F)F)c1cccs1 ZINC000455260895 822620262 /nfs/dbraw/zinc/62/02/62/822620262.db2.gz LEARQNNUFUYPBZ-IHRRRGAJSA-N 1 0 377.476 4.161 20 0 GIADRO C[C@H]([NH2+]CCOc1cccc(S(C)(=O)=O)c1)c1cc2ccccc2s1 ZINC000184354132 822620863 /nfs/dbraw/zinc/62/08/63/822620863.db2.gz IDKITRPRJDLJAL-AWEZNQCLSA-N 1 0 375.515 4.034 20 0 GIADRO COc1ccc(CNC(=O)[C@H](C)[NH2+][C@@H](C)c2cc3ccccc3s2)cc1OC ZINC000184357409 822621305 /nfs/dbraw/zinc/62/13/05/822621305.db2.gz SBBZZHUBZNZYTB-GJZGRUSLSA-N 1 0 398.528 4.274 20 0 GIADRO C[C@@H]([NH2+][C@@H](Cc1ccccc1)c1ccccc1F)c1ccc(S(N)(=O)=O)cc1 ZINC000180129386 822621666 /nfs/dbraw/zinc/62/16/66/822621666.db2.gz OZXRVMNEGUJLBU-ZHRRBRCNSA-N 1 0 398.503 4.108 20 0 GIADRO CC(C)C[C@@H]([NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000180132200 822622326 /nfs/dbraw/zinc/62/23/26/822622326.db2.gz MLNZRBSVDFXUIQ-IFXJQAMLSA-N 1 0 380.941 4.425 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cc(C)n(-c3ccccc3Cl)n2)C1 ZINC000180131625 822622434 /nfs/dbraw/zinc/62/24/34/822622434.db2.gz CBRCMVQAKPLLCX-MRXNPFEDSA-N 1 0 389.931 4.030 20 0 GIADRO COc1ccc2c(c1NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)CCC2 ZINC000455272355 822623562 /nfs/dbraw/zinc/62/35/62/822623562.db2.gz VNOKLVXABJWEPK-UHFFFAOYSA-N 1 0 399.457 4.064 20 0 GIADRO NC(=O)COc1cccc(C[NH2+][C@@H](c2ccc(Cl)c(Cl)c2)C2CC2)c1 ZINC000180135622 822623594 /nfs/dbraw/zinc/62/35/94/822623594.db2.gz JVWBYCSITWBBSU-LJQANCHMSA-N 1 0 379.287 4.098 20 0 GIADRO CC(C)(C)[NH+]1CCC(NC(=O)Nc2ccc(Cl)cc2OC(F)F)CC1 ZINC000184373560 822623865 /nfs/dbraw/zinc/62/38/65/822623865.db2.gz LQCQZTKKTANINN-UHFFFAOYSA-N 1 0 375.847 4.326 20 0 GIADRO Cc1cccc(C[NH2+][C@H](C)c2cc3c(cc2Br)OCCO3)c1O ZINC000180136496 822623989 /nfs/dbraw/zinc/62/39/89/822623989.db2.gz IHJWFZHEGBDFJQ-GFCCVEGCSA-N 1 0 378.266 4.085 20 0 GIADRO CCOc1ccccc1[C@@H](CC(C)C)[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000180139935 822624607 /nfs/dbraw/zinc/62/46/07/822624607.db2.gz FLKNYHXNKQHTBR-OXJNMPFZSA-N 1 0 390.549 4.171 20 0 GIADRO CC(C)CC[N@@H+]1Cc2cccc(NC(=O)c3ccc(-c4ncn(C)n4)cc3)c2C1 ZINC000180142564 822625085 /nfs/dbraw/zinc/62/50/85/822625085.db2.gz NYIWUZRRGGKRGA-UHFFFAOYSA-N 1 0 389.503 4.096 20 0 GIADRO C[N@@H+]1CC[C@@H](NC(=O)c2cc(Cl)ccc2Br)[C@@H]1c1ccccc1 ZINC000180144443 822625689 /nfs/dbraw/zinc/62/56/89/822625689.db2.gz XCUCJCQUDMNQRG-SJORKVTESA-N 1 0 393.712 4.278 20 0 GIADRO CC[C@H]([NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)c1nc(C)cs1 ZINC000184388584 822626594 /nfs/dbraw/zinc/62/65/94/822626594.db2.gz FVGCZTJCHVUUFI-RISCZKNCSA-N 1 0 375.321 4.239 20 0 GIADRO C[N@H+](CCCCNC(=O)N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F)C1CC1 ZINC000455287109 822627722 /nfs/dbraw/zinc/62/77/22/822627722.db2.gz VWUCOWOMLNDEEA-OAHLLOKOSA-N 1 0 395.828 4.256 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCN(c2ncccc2Cl)C1)c1nc2ccc(Cl)cc2n1C ZINC000180152128 822627819 /nfs/dbraw/zinc/62/78/19/822627819.db2.gz QKSUTELNJZFFSK-OCCSQVGLSA-N 1 0 390.318 4.205 20 0 GIADRO C[C@@H](NC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1)c1cccnc1 ZINC000048068035 822628930 /nfs/dbraw/zinc/62/89/30/822628930.db2.gz YQTYLEPOZWMTHR-GOSISDBHSA-N 1 0 388.515 4.371 20 0 GIADRO COc1ccccc1S(=O)(=O)CCC[NH2+][C@@H](C)c1oc2ccccc2c1C ZINC000184407036 822629475 /nfs/dbraw/zinc/62/94/75/822629475.db2.gz LLNNCNIFHCOVDV-INIZCTEOSA-N 1 0 387.501 4.264 20 0 GIADRO Cc1cc(C)n(-c2ccccc2NC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)n1 ZINC000048075682 822629540 /nfs/dbraw/zinc/62/95/40/822629540.db2.gz JASQOQDLUMOOID-UHFFFAOYSA-N 1 0 383.540 4.073 20 0 GIADRO Cc1nc(CCC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)oc1-c1ccccc1 ZINC000180165356 822630606 /nfs/dbraw/zinc/63/06/06/822630606.db2.gz FTCFDKYGHWAWJF-NFBKMPQASA-N 1 0 389.499 4.144 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1sccc1Br ZINC000048091431 822630929 /nfs/dbraw/zinc/63/09/29/822630929.db2.gz VPWQBLCLJSYFPP-UHFFFAOYSA-N 1 0 393.350 4.427 20 0 GIADRO C[N@@H+]1CC[C@H](NC(=O)c2ncoc2-c2ccccc2Cl)[C@@H]1c1ccccc1 ZINC000180166853 822631069 /nfs/dbraw/zinc/63/10/69/822631069.db2.gz YPOKQEMWYMWKOQ-HKUYNNGSSA-N 1 0 381.863 4.170 20 0 GIADRO O=C(CCC[NH2+][C@@H]1CCc2c1cccc2Br)N1Cc2ccccc2C1 ZINC000180172830 822632165 /nfs/dbraw/zinc/63/21/65/822632165.db2.gz SYWOEISAJVMICF-HXUWFJFHSA-N 1 0 399.332 4.349 20 0 GIADRO FC(F)(F)CCN1CCC([NH2+]CCCOc2cccc3cccnc32)CC1 ZINC000180172674 822632221 /nfs/dbraw/zinc/63/22/21/822632221.db2.gz VSIOTCZQIALJLC-UHFFFAOYSA-N 1 0 381.442 4.010 20 0 GIADRO C[C@@H]1CCN(C(=O)Nc2nc(Cc3ccccc3)cs2)C[C@@H]1n1ccnc1 ZINC000184423804 822632615 /nfs/dbraw/zinc/63/26/15/822632615.db2.gz OORVHHFYNMTSLX-QAPCUYQASA-N 1 0 381.505 4.045 20 0 GIADRO COc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1OC1CCCC1 ZINC000184427901 822633139 /nfs/dbraw/zinc/63/31/39/822633139.db2.gz HFLOPUYDOGXRQI-RXVVDRJESA-N 1 0 398.547 4.106 20 0 GIADRO Cc1ccc(C(=O)CCCC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000184428075 822633143 /nfs/dbraw/zinc/63/31/43/822633143.db2.gz FWVQAGHBWNAXLG-QFIPXVFZSA-N 1 0 392.543 4.329 20 0 GIADRO Cc1ccc(C(=O)CCCC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000184428093 822633159 /nfs/dbraw/zinc/63/31/59/822633159.db2.gz FWVQAGHBWNAXLG-JOCHJYFZSA-N 1 0 392.543 4.329 20 0 GIADRO CCN(C(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1)[C@H](C)c1cccnc1 ZINC000455323321 822634169 /nfs/dbraw/zinc/63/41/69/822634169.db2.gz CVUWOECLZOVVPV-LJQANCHMSA-N 1 0 380.536 4.229 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)Nc1cccc(N(C)C)c1C)[NH+]1CCCC1 ZINC000180185339 822634823 /nfs/dbraw/zinc/63/48/23/822634823.db2.gz UHYLEQPGQNMLGI-NRFANRHFSA-N 1 0 396.535 4.028 20 0 GIADRO CCOc1cccc(NC(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCC2)c1 ZINC000048118566 822634933 /nfs/dbraw/zinc/63/49/33/822634933.db2.gz QJAMGKMNKBEWFQ-FQEVSTJZSA-N 1 0 383.492 4.053 20 0 GIADRO CN(Cc1ccccc1NC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2)c1ccccc1 ZINC000455334323 822636223 /nfs/dbraw/zinc/63/62/23/822636223.db2.gz ZVABCOLBLWWOCZ-DEOSSOPVSA-N 1 0 392.547 4.273 20 0 GIADRO C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000048136835 822637206 /nfs/dbraw/zinc/63/72/06/822637206.db2.gz AQJQKTIBYUMKRB-IERDGZPVSA-N 1 0 377.488 4.129 20 0 GIADRO C[C@H]([NH2+]CCc1nnc(-c2ccccc2)o1)c1nc2ccc(Cl)cc2n1C ZINC000180198251 822637743 /nfs/dbraw/zinc/63/77/43/822637743.db2.gz FLRSFVPGDKPDNZ-ZDUSSCGKSA-N 1 0 381.867 4.170 20 0 GIADRO Cc1cncc([C@@H](C)[NH2+][C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)c1 ZINC000184456215 822638534 /nfs/dbraw/zinc/63/85/34/822638534.db2.gz LJFGCAZXPYWRCJ-DNVCBOLYSA-N 1 0 391.437 4.251 20 0 GIADRO CCOc1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(OC)cc3)CC2)c(C)c1 ZINC000048143204 822638673 /nfs/dbraw/zinc/63/86/73/822638673.db2.gz FCJGYUOSSIXVHC-UHFFFAOYSA-N 1 0 397.519 4.142 20 0 GIADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)Nc1ccccc1-n1cccn1 ZINC000048151132 822640139 /nfs/dbraw/zinc/64/01/39/822640139.db2.gz SCCRSPSHXCWHHS-UHFFFAOYSA-N 1 0 397.548 4.310 20 0 GIADRO OC1CC[NH+](CCCN[C@@H](c2ccc(F)cc2)c2ccccc2Cl)CC1 ZINC000180211680 822640227 /nfs/dbraw/zinc/64/02/27/822640227.db2.gz VLYYQCJONLHEGP-NRFANRHFSA-N 1 0 376.903 4.005 20 0 GIADRO C[C@H]([NH2+]CCCCN1C(=O)c2ccccc2C1=O)c1nc(C(C)(C)C)cs1 ZINC000184464347 822640389 /nfs/dbraw/zinc/64/03/89/822640389.db2.gz FYISGQBVLJBOAX-AWEZNQCLSA-N 1 0 385.533 4.168 20 0 GIADRO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Br)cc1Cl ZINC000048163449 822641321 /nfs/dbraw/zinc/64/13/21/822641321.db2.gz XRKXVZWGUUSLOK-HNNXBMFYSA-N 1 0 393.712 4.107 20 0 GIADRO Cc1ccc(-n2ccnc2SCC(=O)Nc2ccccc2C[NH+](C)C)cc1C ZINC000048169232 822641810 /nfs/dbraw/zinc/64/18/10/822641810.db2.gz AFPWRHAOHGXMCS-UHFFFAOYSA-N 1 0 394.544 4.282 20 0 GIADRO Cn1cc([C@@H]([NH2+]CC2(c3ccc(F)cc3)CCOCC2)c2cccc(F)c2)cn1 ZINC000180222062 822642221 /nfs/dbraw/zinc/64/22/21/822642221.db2.gz NLEYRNGLIPHVJA-QFIPXVFZSA-N 1 0 397.469 4.126 20 0 GIADRO C[C@H](COc1ccc(F)cc1F)[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000180224269 822642856 /nfs/dbraw/zinc/64/28/56/822642856.db2.gz RUAUZJALVSPXKC-IUDNXUCKSA-N 1 0 384.467 4.158 20 0 GIADRO O=C(CCCCC(=O)c1ccccc1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000048185614 822643278 /nfs/dbraw/zinc/64/32/78/822643278.db2.gz IBZCZTGGHHLNPT-JOCHJYFZSA-N 1 0 378.516 4.383 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1ccc([S@@](C)=O)cc1 ZINC000180228127 822643758 /nfs/dbraw/zinc/64/37/58/822643758.db2.gz NDXSOYPKFXQKNT-KJOBTCHSSA-N 1 0 381.900 4.397 20 0 GIADRO CC(C)(C)OC(=O)NC1CCC([NH2+]C[C@@H]2CCN(c3ccc(F)cc3)C2)CC1 ZINC000180228078 822643771 /nfs/dbraw/zinc/64/37/71/822643771.db2.gz JFCSNIMNFSVXHY-IVMQYODDSA-N 1 0 391.531 4.078 20 0 GIADRO O=C(NCC[NH2+]CC(c1ccccc1)c1ccccc1)c1c(F)cccc1F ZINC000180236146 822645613 /nfs/dbraw/zinc/64/56/13/822645613.db2.gz DCAAPXXLJJOFPA-UHFFFAOYSA-N 1 0 380.438 4.116 20 0 GIADRO Cn1cc(C[NH2+]CCCc2nc(-c3ccncc3)cs2)c(-c2ccccc2)n1 ZINC000180236605 822645658 /nfs/dbraw/zinc/64/56/58/822645658.db2.gz BKHGDBGFEYTTMT-UHFFFAOYSA-N 1 0 389.528 4.328 20 0 GIADRO C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000184500361 822646071 /nfs/dbraw/zinc/64/60/71/822646071.db2.gz RHSJNTMVTNXGEH-INIZCTEOSA-N 1 0 390.955 4.320 20 0 GIADRO CCC[N@H+](CCc1cccs1)CC(=O)N[C@@H](c1nccs1)c1ccccc1 ZINC000184504267 822646769 /nfs/dbraw/zinc/64/67/69/822646769.db2.gz ZEHQQHRRGOEZAW-HXUWFJFHSA-N 1 0 399.585 4.365 20 0 GIADRO O=C(NC[C@@H]1CCCC1(F)F)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000455402574 822647212 /nfs/dbraw/zinc/64/72/12/822647212.db2.gz ZPQTTXPHQPAAFR-IBGZPJMESA-N 1 0 391.506 4.120 20 0 GIADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)Nc3ccc(-c4ccc(Cl)s4)nc3)C2)C1 ZINC000455408174 822648087 /nfs/dbraw/zinc/64/80/87/822648087.db2.gz JVLQNQJFJFSTGJ-GOSISDBHSA-N 1 0 376.913 4.023 20 0 GIADRO CCc1cc(NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)ccc1F ZINC000455409225 822648349 /nfs/dbraw/zinc/64/83/49/822648349.db2.gz YDLAWZXAOXMEPX-UHFFFAOYSA-N 1 0 375.410 4.269 20 0 GIADRO Cc1cc(NC(=O)C[NH2+][C@H](C)c2sc(-c3ccc(Cl)cc3)nc2C)no1 ZINC000184514586 822648603 /nfs/dbraw/zinc/64/86/03/822648603.db2.gz MVWHWLYRVRUGDA-LLVKDONJSA-N 1 0 390.896 4.358 20 0 GIADRO C[NH+](C)CCc1ccc(NC(=O)[C@@]2(Cc3cccc(Cl)c3)CCOC2)cc1 ZINC000455411198 822648735 /nfs/dbraw/zinc/64/87/35/822648735.db2.gz MLLQDADPIHTMKS-JOCHJYFZSA-N 1 0 386.923 4.032 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)Nc1ncc(Cc2ccccc2F)s1 ZINC000455412932 822648957 /nfs/dbraw/zinc/64/89/57/822648957.db2.gz CTZLCMKXIXCQOD-UHFFFAOYSA-N 1 0 378.517 4.115 20 0 GIADRO CCC(=O)Nc1ccc(C)c(NC(=O)NC[C@H](CC(C)C)[NH+](CC)CC)c1 ZINC000048258785 822649711 /nfs/dbraw/zinc/64/97/11/822649711.db2.gz JJKNXYWVJGQMAW-SFHVURJKSA-N 1 0 376.545 4.222 20 0 GIADRO Cc1cc(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)nn1-c1ccc(F)cc1 ZINC000180259607 822649770 /nfs/dbraw/zinc/64/97/70/822649770.db2.gz VXZIHTQTWWLLJG-IBGZPJMESA-N 1 0 398.526 4.048 20 0 GIADRO CCc1nc(C)c([C@@H](C)[NH2+][C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)s1 ZINC000184520940 822649953 /nfs/dbraw/zinc/64/99/53/822649953.db2.gz VYMOVFXAAJEDMO-XIKOKIGWSA-N 1 0 375.513 4.297 20 0 GIADRO CC(=O)N1CC[C@@H](NC2CC[NH+](C3CCCCC3)CC2)c2ccc(F)cc2C1 ZINC000184520307 822650004 /nfs/dbraw/zinc/65/00/04/822650004.db2.gz DTFNKVRCRKDVAN-HSZRJFAPSA-N 1 0 387.543 4.006 20 0 GIADRO O[C@@H](C[NH2+]Cc1ccc(Br)cc1)c1cccc(Br)c1 ZINC000048271323 822650457 /nfs/dbraw/zinc/65/04/57/822650457.db2.gz CDZSIBMKCGWXLW-HNNXBMFYSA-N 1 0 385.099 4.035 20 0 GIADRO O=C(NC[C@@H]1CCCC1(F)F)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000455426028 822651454 /nfs/dbraw/zinc/65/14/54/822651454.db2.gz ZDDZPUGYDJRFHX-UFYCRDLUSA-N 1 0 391.506 4.118 20 0 GIADRO CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(F)cc2N(C)C)c2ccc(F)cc2C1 ZINC000184532973 822652344 /nfs/dbraw/zinc/65/23/44/822652344.db2.gz GXXOKXQZNRILGN-QKKBWIMNSA-N 1 0 387.474 4.175 20 0 GIADRO C[C@@H]([NH2+]C[C@H](O)COc1cccc2[nH]ccc21)c1nc(-c2ccccc2)cs1 ZINC000184534598 822652797 /nfs/dbraw/zinc/65/27/97/822652797.db2.gz QVNXYAIMSLBXKW-WBVHZDCISA-N 1 0 393.512 4.382 20 0 GIADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)CSCc3cccnc3)cc2)C1 ZINC000048311283 822653047 /nfs/dbraw/zinc/65/30/47/822653047.db2.gz XIJHWGGQAVTLAE-RTBURBONSA-N 1 0 397.588 4.109 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CCSCc1ccccn1 ZINC000048323454 822653660 /nfs/dbraw/zinc/65/36/60/822653660.db2.gz FBIIRCDILPKMRA-LJQANCHMSA-N 1 0 397.588 4.396 20 0 GIADRO COc1ccc(NC(=O)C[NH2+][C@H](c2ccc(F)cc2)C2CCCC2)c(OC)c1 ZINC000180279971 822653900 /nfs/dbraw/zinc/65/39/00/822653900.db2.gz MMVRGZUZQZBCQK-QFIPXVFZSA-N 1 0 386.467 4.303 20 0 GIADRO CC(C)C[NH+]1CCC(NC(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)CC1 ZINC000180283445 822654858 /nfs/dbraw/zinc/65/48/58/822654858.db2.gz CJZQTYTXHJIEOA-UHFFFAOYSA-N 1 0 393.491 4.132 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]C[C@@H](O)COCc1ccco1 ZINC000184547636 822655227 /nfs/dbraw/zinc/65/52/27/822655227.db2.gz DQZNGELXZWOVJN-MAUKXSAKSA-N 1 0 386.517 4.248 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)C[NH2+][C@H](c2ccc(F)cc2)C2CCCC2)c1 ZINC000180296112 822658391 /nfs/dbraw/zinc/65/83/91/822658391.db2.gz GJEAXPAECICFKE-QFIPXVFZSA-N 1 0 383.467 4.244 20 0 GIADRO CCOc1ccc([C@H](NC(=O)NC2CC[NH+](C3CC3)CC2)c2ccccc2)cc1 ZINC000048395504 822659274 /nfs/dbraw/zinc/65/92/74/822659274.db2.gz LFMBOJKZKLQFEP-HSZRJFAPSA-N 1 0 393.531 4.101 20 0 GIADRO CN(C)C(=O)CCC[NH2+][C@@H](c1ccc(Cl)cc1)c1ccc(OC(F)F)cc1 ZINC000180301105 822659760 /nfs/dbraw/zinc/65/97/60/822659760.db2.gz KCEBEVNVWPXZJB-IBGZPJMESA-N 1 0 396.865 4.489 20 0 GIADRO Cc1cc(C)c(NC(=O)NCc2ccc(COCC(F)(F)F)cc2)c(C)n1 ZINC000455466769 822659980 /nfs/dbraw/zinc/65/99/80/822659980.db2.gz FVQWDVLRHIEJOB-UHFFFAOYSA-N 1 0 381.398 4.407 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)C1 ZINC000180302588 822660152 /nfs/dbraw/zinc/66/01/52/822660152.db2.gz DYQQMTVYAKJZBF-MRXNPFEDSA-N 1 0 393.491 4.085 20 0 GIADRO O[C@H](C[NH2+]C1CCN(CC(F)(F)F)CC1)c1ccc(-c2ccccc2)cc1 ZINC000184579889 822660760 /nfs/dbraw/zinc/66/07/60/822660760.db2.gz MRNDXVDNDJVMPF-HXUWFJFHSA-N 1 0 378.438 4.003 20 0 GIADRO C[C@H](c1ccccc1C(F)(F)F)[C@H](C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000455470510 822660862 /nfs/dbraw/zinc/66/08/62/822660862.db2.gz HJKUZWILDARMOB-MGLUKCQKSA-N 1 0 383.458 4.122 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)Nc1c(C)cc(C)nc1C)[NH+]1CCCCC1 ZINC000455471588 822661052 /nfs/dbraw/zinc/66/10/52/822661052.db2.gz IXQRPBJROXJMSK-HXUWFJFHSA-N 1 0 396.535 4.364 20 0 GIADRO C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000455471394 822661101 /nfs/dbraw/zinc/66/11/01/822661101.db2.gz IHMVGMXNXZPMMI-PRTUASRFSA-N 1 0 382.335 4.247 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)c1ccc(-c2ccccc2)cc1)c1ccc(-n2cncn2)cc1 ZINC000184587840 822662190 /nfs/dbraw/zinc/66/21/90/822662190.db2.gz OPSPFOHKVDWVND-UUOWRZLLSA-N 1 0 384.483 4.319 20 0 GIADRO CSc1ccc([C@H](CNC(=O)Nc2ccc3c(C)nn(C)c3c2)[NH+](C)C)cc1 ZINC000455483171 822663099 /nfs/dbraw/zinc/66/30/99/822663099.db2.gz URPXTCJTMWCWIH-FQEVSTJZSA-N 1 0 397.548 4.028 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)Nc1ccc(F)cc1Br ZINC000048451691 822663197 /nfs/dbraw/zinc/66/31/97/822663197.db2.gz NVJNJVNZYFWWJY-HNNXBMFYSA-N 1 0 396.260 4.140 20 0 GIADRO COc1cc(C)ccc1Oc1ccc(NC(=O)N(C)CCC[NH+](C)C)cc1F ZINC000184597591 822663551 /nfs/dbraw/zinc/66/35/51/822663551.db2.gz GCVGHZJUYJQVGF-UHFFFAOYSA-N 1 0 389.471 4.350 20 0 GIADRO Cc1ccc(COc2ccc(C[NH+]3CCC(CC(=O)N(C)C)CC3)cc2)cc1 ZINC000180333033 822664969 /nfs/dbraw/zinc/66/49/69/822664969.db2.gz XUYGJRKVPPWDOW-UHFFFAOYSA-N 1 0 380.532 4.264 20 0 GIADRO CSc1cccc(C)c1NC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000184617561 822666363 /nfs/dbraw/zinc/66/63/63/822666363.db2.gz QSQXDKUBGQVDBO-UHFFFAOYSA-N 1 0 383.561 4.500 20 0 GIADRO O=C(NCC1(c2ccc(Cl)cc2)CCC1)NC1CC[NH+](C2CCC2)CC1 ZINC000455500009 822666573 /nfs/dbraw/zinc/66/65/73/822666573.db2.gz FCAVACJBOMGCLK-UHFFFAOYSA-N 1 0 375.944 4.078 20 0 GIADRO CCCCOc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cccnc2Cl)cc1OC ZINC000180345727 822667144 /nfs/dbraw/zinc/66/71/44/822667144.db2.gz ZGANIEGCYABHHI-CQSZACIVSA-N 1 0 391.899 4.212 20 0 GIADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)Nc1cccc(-c2ncco2)c1C)c1ccco1 ZINC000455504421 822667453 /nfs/dbraw/zinc/66/74/53/822667453.db2.gz IEWHUOAQDXMKPE-KSSFIOAISA-N 1 0 382.464 4.494 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1)c1ccc(-n2ccnn2)cc1 ZINC000180348902 822667707 /nfs/dbraw/zinc/66/77/07/822667707.db2.gz UPBKMNDIQJIWFN-INIZCTEOSA-N 1 0 378.476 4.073 20 0 GIADRO CC(C)CC[NH+]1CCC(CNC(=O)N[C@H]2CCO[C@@H](c3cccs3)C2)CC1 ZINC000455509591 822668456 /nfs/dbraw/zinc/66/84/56/822668456.db2.gz OTDIOKRMLUWMGO-RBUKOAKNSA-N 1 0 393.597 4.026 20 0 GIADRO CC(C)CC[NH+]1CCC(CNC(=O)N[C@@H]2CCO[C@@H](c3cccs3)C2)CC1 ZINC000455509592 822668474 /nfs/dbraw/zinc/66/84/74/822668474.db2.gz OTDIOKRMLUWMGO-RTBURBONSA-N 1 0 393.597 4.026 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Nc1cccc(OCC#N)c1 ZINC000048509300 822668834 /nfs/dbraw/zinc/66/88/34/822668834.db2.gz KZMMHTHOFGUULZ-GOSISDBHSA-N 1 0 392.503 4.285 20 0 GIADRO CN(C)C(=O)CC[NH2+][C@H](c1ccc(Cl)cc1)c1ccc(OC(F)F)cc1 ZINC000180356906 822669660 /nfs/dbraw/zinc/66/96/60/822669660.db2.gz LYWCDDOEZYVGNS-GOSISDBHSA-N 1 0 382.838 4.099 20 0 GIADRO CCC[C@H]1CN(C(=O)Nc2ccc(-c3ccncc3)c(C)c2)CC[N@@H+]1CCOC ZINC000455518492 822669740 /nfs/dbraw/zinc/66/97/40/822669740.db2.gz WMOTZYOGGLFPNG-NRFANRHFSA-N 1 0 396.535 4.022 20 0 GIADRO CCOc1cccc2cc([C@H](C)[NH2+]CC(=O)N(C)Cc3ccc(OC)cc3)oc21 ZINC000180359252 822670060 /nfs/dbraw/zinc/67/00/60/822670060.db2.gz QQHLMGMFARBRAG-INIZCTEOSA-N 1 0 396.487 4.149 20 0 GIADRO CCOc1cccc2cc([C@H](C)[NH2+]CC(=O)N(C)Cc3ccccc3OC)oc21 ZINC000180360136 822670107 /nfs/dbraw/zinc/67/01/07/822670107.db2.gz YXRJFJWOYLIPQS-INIZCTEOSA-N 1 0 396.487 4.149 20 0 GIADRO CC1(C)Oc2ccc(NC(=O)N3CCC(C[NH+]4CCCCCC4)CC3)cc2O1 ZINC000048539759 822670769 /nfs/dbraw/zinc/67/07/69/822670769.db2.gz DEBISDFNPVYRCO-UHFFFAOYSA-N 1 0 387.524 4.314 20 0 GIADRO CCN1CC[C@@H]([NH2+]Cc2ccc(NC(C)=O)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180364870 822670826 /nfs/dbraw/zinc/67/08/26/822670826.db2.gz IDGDUDPEQGAHIK-RTWAWAEBSA-N 1 0 389.902 4.363 20 0 GIADRO COc1cc(C[NH2+][C@H]2CC(C)(C)OC2(C)C)ccc1OCc1c(C)noc1C ZINC000180367363 822671050 /nfs/dbraw/zinc/67/10/50/822671050.db2.gz RJIASCPAOXPOIH-FQEVSTJZSA-N 1 0 388.508 4.315 20 0 GIADRO COc1ccc(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c(C(F)(F)F)c1 ZINC000048549595 822671374 /nfs/dbraw/zinc/67/13/74/822671374.db2.gz VEELKVSBZVLEDM-MRXNPFEDSA-N 1 0 397.397 4.266 20 0 GIADRO Cc1[nH]c2ccccc2c1C1=CC[N@H+](Cc2cc(-c3cnn(C)c3C)no2)CC1 ZINC000184662993 822672449 /nfs/dbraw/zinc/67/24/49/822672449.db2.gz HUWOKULADYQIQC-UHFFFAOYSA-N 1 0 387.487 4.463 20 0 GIADRO COc1ccc([C@@H](C[NH2+][C@@H](C)c2cccc(OC(F)F)c2)N(C)C)cc1OC ZINC000180380067 822672841 /nfs/dbraw/zinc/67/28/41/822672841.db2.gz XJJOCEFDDIOIHR-KBXCAEBGSA-N 1 0 394.462 4.259 20 0 GIADRO CCCC[C@H]([NH2+][C@H](C)c1c[nH]nc1C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000180380305 822672881 /nfs/dbraw/zinc/67/28/81/822672881.db2.gz UZETZTLLJKWCNL-IERDGZPVSA-N 1 0 383.540 4.166 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1ccc(Cl)nc1 ZINC000184669920 822673401 /nfs/dbraw/zinc/67/34/01/822673401.db2.gz LZVNDPPSHAVDBQ-IUODEOHRSA-N 1 0 397.828 4.206 20 0 GIADRO COc1ccc(F)cc1[C@@H](C)NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000184670590 822673618 /nfs/dbraw/zinc/67/36/18/822673618.db2.gz OCNKTOLPXXHEBW-QGZVFWFLSA-N 1 0 384.495 4.314 20 0 GIADRO O=C(N[C@H]1CC[C@H](c2cccc(Cl)c2)C1)NC1CC[NH+](C2CCC2)CC1 ZINC000455556187 822674332 /nfs/dbraw/zinc/67/43/32/822674332.db2.gz HRRSLQAOBWPOQA-LPHOPBHVSA-N 1 0 375.944 4.292 20 0 GIADRO Cc1ccc(-c2nc(CC[NH2+][C@@H](c3cnn(C)c3)c3cccc(F)c3)co2)cc1 ZINC000180391952 822674767 /nfs/dbraw/zinc/67/47/67/822674767.db2.gz IYRARAWZHJGBIN-JOCHJYFZSA-N 1 0 390.462 4.444 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)Nc2ccc(OC(F)F)cn2)CC1 ZINC000455567101 822675763 /nfs/dbraw/zinc/67/57/63/822675763.db2.gz YNDCJYZUZUQVMX-UHFFFAOYSA-N 1 0 384.471 4.049 20 0 GIADRO CC1(C(=O)Nc2ccc3oc(=O)ccc3c2)CC[NH+](Cc2ccccc2)CC1 ZINC000184682388 822675848 /nfs/dbraw/zinc/67/58/48/822675848.db2.gz CONXUTVLODCIQJ-UHFFFAOYSA-N 1 0 376.456 4.034 20 0 GIADRO COc1cc(NC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)cc(OC)c1C ZINC000455569519 822676126 /nfs/dbraw/zinc/67/61/26/822676126.db2.gz BFRSXXJHSDUXSD-UHFFFAOYSA-N 1 0 397.519 4.141 20 0 GIADRO COc1cc(C[N@H+](C)Cc2cn(C)nc2-c2ccccc2)c(SC)cc1OC ZINC000180404554 822676254 /nfs/dbraw/zinc/67/62/54/822676254.db2.gz FQKVFJKLWPUSQU-UHFFFAOYSA-N 1 0 397.544 4.458 20 0 GIADRO COc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)c(OC)c1 ZINC000180408140 822676661 /nfs/dbraw/zinc/67/66/61/822676661.db2.gz JPCOGAZCOVWGKE-KRWDZBQOSA-N 1 0 382.504 4.181 20 0 GIADRO C[NH+](C)CCCOc1ccc(CNC(=O)c2scnc2C2CCCC2)cc1 ZINC000184690544 822677246 /nfs/dbraw/zinc/67/72/46/822677246.db2.gz XDFVESZYXIODDR-UHFFFAOYSA-N 1 0 387.549 4.061 20 0 GIADRO Cc1ccc(CNC(=O)C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)cc1 ZINC000048691842 822678379 /nfs/dbraw/zinc/67/83/79/822678379.db2.gz JHQXPGGUQYWYAX-UHFFFAOYSA-N 1 0 393.531 4.014 20 0 GIADRO COc1ccc(C(C)(C)C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)cc1 ZINC000180419689 822678466 /nfs/dbraw/zinc/67/84/66/822678466.db2.gz RQJPOHNTLAHPRA-UHFFFAOYSA-N 1 0 395.547 4.142 20 0 GIADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1cc2ccccc2nc1C ZINC000455584815 822678543 /nfs/dbraw/zinc/67/85/43/822678543.db2.gz ZQRHFQRRUOIKMS-NRFANRHFSA-N 1 0 388.515 4.065 20 0 GIADRO C[C@H](CN(C)C(=O)NCC1([NH+]2CCCCC2)CCCCC1)c1nccs1 ZINC000184701009 822678895 /nfs/dbraw/zinc/67/88/95/822678895.db2.gz ZQCKANFLLISVQR-QGZVFWFLSA-N 1 0 378.586 4.077 20 0 GIADRO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000048711233 822679178 /nfs/dbraw/zinc/67/91/78/822679178.db2.gz RSRJCILQZBMSHH-UHFFFAOYSA-N 1 0 395.938 4.428 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)C[C@@H]1CCOc2ccccc21 ZINC000180424144 822679268 /nfs/dbraw/zinc/67/92/68/822679268.db2.gz OBFZTYVLXIISRD-FQEVSTJZSA-N 1 0 393.531 4.103 20 0 GIADRO COCCOc1cccc(C[NH2+][C@@H](C)c2ccc(NC(=O)NC(C)C)cc2)c1 ZINC000048714262 822679382 /nfs/dbraw/zinc/67/93/82/822679382.db2.gz NJAMIOJPYFQMNM-KRWDZBQOSA-N 1 0 385.508 4.093 20 0 GIADRO Cc1ccc(CNC(=O)c2cccc(C[NH2+]Cc3cnn(C(C)(C)C)c3)c2)cc1 ZINC000048714112 822679389 /nfs/dbraw/zinc/67/93/89/822679389.db2.gz DOTSEIQECZSILR-UHFFFAOYSA-N 1 0 390.531 4.166 20 0 GIADRO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180427619 822679895 /nfs/dbraw/zinc/67/98/95/822679895.db2.gz DAHDVIVNZAZQQS-UXHICEINSA-N 1 0 383.561 4.320 20 0 GIADRO Cc1ccsc1[C@H]1C[C@@H]1C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180427634 822679912 /nfs/dbraw/zinc/67/99/12/822679912.db2.gz DAHDVIVNZAZQQS-PMACEKPBSA-N 1 0 383.561 4.320 20 0 GIADRO COc1ccc(CC[C@H](C)NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000184708456 822680196 /nfs/dbraw/zinc/68/01/96/822680196.db2.gz IVDCRZLPQYSBDT-FQEVSTJZSA-N 1 0 394.559 4.435 20 0 GIADRO COc1cc(Cl)cc(C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)c1O ZINC000184713140 822680790 /nfs/dbraw/zinc/68/07/90/822680790.db2.gz NCWIHFAPIVUNCN-UHFFFAOYSA-N 1 0 389.805 4.107 20 0 GIADRO C[C@H](CC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)c1cccc(F)c1 ZINC000180433191 822680870 /nfs/dbraw/zinc/68/08/70/822680870.db2.gz IOIKPBLNMVTGFY-GOSISDBHSA-N 1 0 383.511 4.479 20 0 GIADRO CCNC(=O)COc1ccc(C[NH2+][C@H](C)c2ccc(C(C)(C)C)cc2)cc1OC ZINC000048747802 822680957 /nfs/dbraw/zinc/68/09/57/822680957.db2.gz IHVQTXGPKLJUTA-QGZVFWFLSA-N 1 0 398.547 4.358 20 0 GIADRO CC[C@H](NC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)c1c(C)noc1C ZINC000180436506 822681570 /nfs/dbraw/zinc/68/15/70/822681570.db2.gz GCVRXPLZCRUTPU-FQEVSTJZSA-N 1 0 399.539 4.086 20 0 GIADRO O=C(N[C@H](c1ccccc1)C(F)F)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000455599220 822681729 /nfs/dbraw/zinc/68/17/29/822681729.db2.gz OMNCSTOOHASWGQ-PKOBYXMFSA-N 1 0 379.495 4.290 20 0 GIADRO C[N@H+](CCCCNC(=O)N1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1)C1CC1 ZINC000455600472 822681920 /nfs/dbraw/zinc/68/19/20/822681920.db2.gz BNZWXPUNLAAXCN-QGZVFWFLSA-N 1 0 397.485 4.469 20 0 GIADRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)N[C@H](c1ccccc1)C(F)F ZINC000455603245 822682516 /nfs/dbraw/zinc/68/25/16/822682516.db2.gz SFMUYDGWYNURLH-CRAIPNDOSA-N 1 0 393.503 4.266 20 0 GIADRO C[N@H+](CCCCNC(=O)N1CCC[C@@H](COc2ccccc2Cl)C1)C1CC1 ZINC000455603592 822682755 /nfs/dbraw/zinc/68/27/55/822682755.db2.gz FXMNWNYNKQKAAY-QGZVFWFLSA-N 1 0 393.959 4.015 20 0 GIADRO COc1ccc(C[NH2+]Cc2cccc(NC(=O)c3cccc(F)c3)c2)c(OC)c1 ZINC000048781460 822682806 /nfs/dbraw/zinc/68/28/06/822682806.db2.gz UBYDYSNBVBYMFV-UHFFFAOYSA-N 1 0 394.446 4.385 20 0 GIADRO CCC(CC)c1cc(C(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)on1 ZINC000180441652 822682808 /nfs/dbraw/zinc/68/28/08/822682808.db2.gz ADXGIIZVHAJQCC-UHFFFAOYSA-N 1 0 384.524 4.352 20 0 GIADRO Cc1ccc([C@H](CNC(=O)N[C@@H](c2ccccc2)C(F)F)[NH+]2CCCC2)o1 ZINC000455604241 822682965 /nfs/dbraw/zinc/68/29/65/822682965.db2.gz TZZLTAPZBVFIEI-WMZOPIPTSA-N 1 0 377.435 4.031 20 0 GIADRO COc1ccccc1SC[C@H](C)C[NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000180445816 822683399 /nfs/dbraw/zinc/68/33/99/822683399.db2.gz RQFBZQPCBNBNTQ-SBHAEUEKSA-N 1 0 399.604 4.319 20 0 GIADRO COc1ccccc1SC[C@@H](C)C[NH2+][C@H](C)c1cnc2cc(C)nn2c1C ZINC000180446824 822683551 /nfs/dbraw/zinc/68/35/51/822683551.db2.gz CZVKSSPTTUKZGL-GOEBONIOSA-N 1 0 384.549 4.434 20 0 GIADRO CC(=O)Nc1cccc(OCC[NH2+][C@H](C)[C@H](C)c2nc3ccccc3s2)c1 ZINC000180448385 822684115 /nfs/dbraw/zinc/68/41/15/822684115.db2.gz OITQHEFHQSWGSA-LSDHHAIUSA-N 1 0 383.517 4.415 20 0 GIADRO CC(C)c1nc(CCNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000184736639 822684164 /nfs/dbraw/zinc/68/41/64/822684164.db2.gz QETNWEPKVQDUPB-UHFFFAOYSA-N 1 0 385.577 4.228 20 0 GIADRO Cc1ccc2cc(C(=O)N(C)CCC3CCN(c4cc[nH+]cc4)CC3)ccc2n1 ZINC000180449795 822684283 /nfs/dbraw/zinc/68/42/83/822684283.db2.gz VHADZBDANFQZKC-UHFFFAOYSA-N 1 0 388.515 4.317 20 0 GIADRO COc1cc(C(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)ccc1Cl ZINC000180449957 822684313 /nfs/dbraw/zinc/68/43/13/822684313.db2.gz BODXPMZWELHCTN-UHFFFAOYSA-N 1 0 387.911 4.122 20 0 GIADRO CC(=O)Nc1cccc(OCC[NH2+][C@@H](C)c2sc(-c3cccnc3)nc2C)c1 ZINC000180450398 822684533 /nfs/dbraw/zinc/68/45/33/822684533.db2.gz PCQAOYIOUCATAT-AWEZNQCLSA-N 1 0 396.516 4.202 20 0 GIADRO COCc1cccc(CNC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000048828235 822684933 /nfs/dbraw/zinc/68/49/33/822684933.db2.gz CHQPBAWRVJIWBH-LJQANCHMSA-N 1 0 395.547 4.064 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCc1ncc(-c2ccccc2)o1 ZINC000048829732 822685136 /nfs/dbraw/zinc/68/51/36/822685136.db2.gz GWFIHRQVJBRHAW-UHFFFAOYSA-N 1 0 392.503 4.181 20 0 GIADRO CN(C(=O)N[C@@H](c1ccccc1)C(F)F)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000455620408 822685278 /nfs/dbraw/zinc/68/52/78/822685278.db2.gz JQPLWIKTPHZFAL-HNNXBMFYSA-N 1 0 393.400 4.051 20 0 GIADRO CC(C)[NH+]1CCC(Nc2cccc(CS(=O)(=O)Cc3ccccc3)c2)CC1 ZINC000180456428 822685709 /nfs/dbraw/zinc/68/57/09/822685709.db2.gz HVBOBNVFTYQGHR-UHFFFAOYSA-N 1 0 386.561 4.086 20 0 GIADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1ccccc1CSC ZINC000184750108 822685830 /nfs/dbraw/zinc/68/58/30/822685830.db2.gz MLUWCGCZJRDGQL-FQEVSTJZSA-N 1 0 398.576 4.463 20 0 GIADRO COc1ccc(NC(=O)C[C@H](C)[NH2+]CCCc2cccc(Cl)c2)c(OC)c1 ZINC000180462190 822686471 /nfs/dbraw/zinc/68/64/71/822686471.db2.gz ZZVUCUJJNWWZJQ-HNNXBMFYSA-N 1 0 390.911 4.297 20 0 GIADRO O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)NNc1cc[nH+]cc1 ZINC000180467912 822687385 /nfs/dbraw/zinc/68/73/85/822687385.db2.gz DMKUEHNWEIPYLK-UHFFFAOYSA-N 1 0 377.231 4.119 20 0 GIADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3cc(Cl)ccc3OC(F)(F)F)CC[C@H]21 ZINC000455634304 822687514 /nfs/dbraw/zinc/68/75/14/822687514.db2.gz DWPVTYFOFRCWSG-BXUZGUMPSA-N 1 0 391.821 4.187 20 0 GIADRO C[C@H]1C[C@@H]1c1ccc(C[NH+]2CCC(OCCCNC(=O)OC(C)(C)C)CC2)o1 ZINC000180472699 822688001 /nfs/dbraw/zinc/68/80/01/822688001.db2.gz IXEBPCRGYLPJAC-LPHOPBHVSA-N 1 0 392.540 4.299 20 0 GIADRO Cc1ccccc1CNC(=O)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000048943542 822688829 /nfs/dbraw/zinc/68/88/29/822688829.db2.gz KWKXCQYJJXVFJJ-UHFFFAOYSA-N 1 0 393.531 4.014 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)NCc1ccnc(Oc2ccccc2)c1)c1ccsc1 ZINC000048959733 822689209 /nfs/dbraw/zinc/68/92/09/822689209.db2.gz MRBUEVALTVHFJM-LJQANCHMSA-N 1 0 396.516 4.038 20 0 GIADRO CCN(C(=O)Nc1ccnn1CC[NH+](C)C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000455644110 822689920 /nfs/dbraw/zinc/68/99/20/822689920.db2.gz BWKGYLFGBXCKAZ-CQSZACIVSA-N 1 0 397.445 4.079 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H](c1ccccc1)C(F)F ZINC000455645114 822690095 /nfs/dbraw/zinc/69/00/95/822690095.db2.gz IXCJLAMVKSSZNT-ICSRJNTNSA-N 1 0 387.474 4.156 20 0 GIADRO C[C@@H](CNC(=O)NCc1cccc(COCc2ccco2)c1)[N@@H+]1CCCC[C@H]1C ZINC000049038780 822691645 /nfs/dbraw/zinc/69/16/45/822691645.db2.gz AGBSSOQFCNCWDY-MOPGFXCFSA-N 1 0 399.535 4.059 20 0 GIADRO CC(C)c1noc2nc(C3CC3)cc(C(=O)N3CCC(C[NH+]4CCCC4)CC3)c21 ZINC000049072852 822692176 /nfs/dbraw/zinc/69/21/76/822692176.db2.gz ZANVMFQOXWOKLE-UHFFFAOYSA-N 1 0 396.535 4.172 20 0 GIADRO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]2C[C@H](O)c2cccs2)cc1 ZINC000180507896 822693325 /nfs/dbraw/zinc/69/33/25/822693325.db2.gz OZUOSXMKJZFSCX-HKUYNNGSSA-N 1 0 383.517 4.235 20 0 GIADRO Cn1cc(C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2ccccc2)c(-c2cccnc2)n1 ZINC000180510210 822693945 /nfs/dbraw/zinc/69/39/45/822693945.db2.gz PPRXPKSGCXRPDV-PKTZIBPZSA-N 1 0 390.531 4.350 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc([C@H]2CCOC2)cc1)c1ccsc1 ZINC000455661224 822694070 /nfs/dbraw/zinc/69/40/70/822694070.db2.gz JFCXFHSMBFYWPQ-FXAWDEMLSA-N 1 0 387.549 4.457 20 0 GIADRO C[C@H](NC(=O)N[C@@H](c1ccccc1)C(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000455664199 822694699 /nfs/dbraw/zinc/69/46/99/822694699.db2.gz YFSRSUXRDUJDGJ-DBVUQKKJSA-N 1 0 387.474 4.203 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]CCc1cccc(C(N)=O)c1 ZINC000180532133 822697410 /nfs/dbraw/zinc/69/74/10/822697410.db2.gz BLEOCFYJTLZRNS-OAHLLOKOSA-N 1 0 379.529 4.419 20 0 GIADRO O=C(Nc1cc2c(cn1)CCC2)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000455674403 822697462 /nfs/dbraw/zinc/69/74/62/822697462.db2.gz RKJLRXFIVXPEBV-UHFFFAOYSA-N 1 0 390.531 4.090 20 0 GIADRO C[C@H](CCNC(=O)Nc1ccc([C@@H]2CCOC2)cc1)[N@H+](C)Cc1ccccc1 ZINC000455674814 822697643 /nfs/dbraw/zinc/69/76/43/822697643.db2.gz PYKNSYVOHPDENS-WIYYLYMNSA-N 1 0 381.520 4.223 20 0 GIADRO Cc1nc(C)c([C@H](C)[NH2+]C[C@H](c2cccc(Cl)c2)N2CCOCC2)s1 ZINC000180535507 822698118 /nfs/dbraw/zinc/69/81/18/822698118.db2.gz YSGOAEZBKCSOIW-SCLBCKFNSA-N 1 0 379.957 4.137 20 0 GIADRO FC(F)(F)CC[N@@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCCO2)CC1CC1 ZINC000180537880 822698434 /nfs/dbraw/zinc/69/84/34/822698434.db2.gz JOGMLXCPYSIKNO-UHFFFAOYSA-N 1 0 381.398 4.012 20 0 GIADRO c1ccc(CC[N@H+](Cc2ccc(Oc3cnccn3)cc2)[C@H]2CCOC2)cc1 ZINC000180539814 822698695 /nfs/dbraw/zinc/69/86/95/822698695.db2.gz HTRIUBMHQLKKPC-NRFANRHFSA-N 1 0 375.472 4.103 20 0 GIADRO C[NH+](C)C1(CN[C@@H](c2cccc(F)c2)c2cccc(Cl)c2)CCOCC1 ZINC000180543848 822699551 /nfs/dbraw/zinc/69/95/51/822699551.db2.gz VKVAXPINYGAYQG-HXUWFJFHSA-N 1 0 376.903 4.269 20 0 GIADRO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1cn(C)c2ccccc12 ZINC000184847466 822699795 /nfs/dbraw/zinc/69/97/95/822699795.db2.gz VLMXZYIAWPUHAO-SFHVURJKSA-N 1 0 375.516 4.063 20 0 GIADRO COc1cccc([C@@H](CNC(=O)Nc2cncc(Cl)c2C)[NH+]2CCCC2)c1 ZINC000455686802 822701388 /nfs/dbraw/zinc/70/13/88/822701388.db2.gz NKPIOCASCOPWBR-LJQANCHMSA-N 1 0 388.899 4.011 20 0 GIADRO CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@H](c1nc(C)cs1)C(F)(F)F ZINC000455687708 822701757 /nfs/dbraw/zinc/70/17/57/822701757.db2.gz QBLSUZJZOKUZEX-CQSZACIVSA-N 1 0 394.507 4.064 20 0 GIADRO CC(C)c1cccc(-c2ccc(C(=O)NC3CC[NH+](C[C@H]4CCOC4)CC3)o2)c1 ZINC000180566627 822703775 /nfs/dbraw/zinc/70/37/75/822703775.db2.gz CQKWCXOGARMGKR-GOSISDBHSA-N 1 0 396.531 4.301 20 0 GIADRO C[NH+](C)CCCC1CCN(C(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)CC1 ZINC000180571579 822704454 /nfs/dbraw/zinc/70/44/54/822704454.db2.gz PGVKZKPAPVCMAV-UHFFFAOYSA-N 1 0 397.523 4.200 20 0 GIADRO O[C@@H](C[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1)COCc1ccccc1F ZINC000180573500 822704719 /nfs/dbraw/zinc/70/47/19/822704719.db2.gz HDQXCDHNLMADSX-FUHWJXTLSA-N 1 0 389.364 4.126 20 0 GIADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC000180591021 822707176 /nfs/dbraw/zinc/70/71/76/822707176.db2.gz WYFSWPRTEALPTI-OAHLLOKOSA-N 1 0 395.469 4.079 20 0 GIADRO CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1[NH2+]Cc1nc(C(F)(F)F)cs1 ZINC000180597926 822708281 /nfs/dbraw/zinc/70/82/81/822708281.db2.gz LGGQSEGELCEMJA-VXGBXAGGSA-N 1 0 393.475 4.335 20 0 GIADRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)Nc1ccccc1OCCF ZINC000455708584 822709089 /nfs/dbraw/zinc/70/90/89/822709089.db2.gz AMWMJPPCWGUTLA-MRXNPFEDSA-N 1 0 391.512 4.130 20 0 GIADRO COc1cccc(C[NH2+][C@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)n1 ZINC000180601852 822709270 /nfs/dbraw/zinc/70/92/70/822709270.db2.gz MICDQURDDCYLOU-OAHLLOKOSA-N 1 0 379.435 4.332 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)Cc1ccccc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000180602934 822709714 /nfs/dbraw/zinc/70/97/14/822709714.db2.gz YJCXQDMEKHXZNF-HXOBKFHXSA-N 1 0 392.474 4.332 20 0 GIADRO CC1CC[NH+]([C@H](CNC(=O)N2CCC[C@@H]2c2ccncc2)c2cccs2)CC1 ZINC000049790408 822709734 /nfs/dbraw/zinc/70/97/34/822709734.db2.gz ASKZJNYRPKKKDY-WOJBJXKFSA-N 1 0 398.576 4.463 20 0 GIADRO C[C@@H](NC(=O)N1CCC(C[NH+]2CCCC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000049795675 822710024 /nfs/dbraw/zinc/71/00/24/822710024.db2.gz IBRQEJJEJINNAE-OAHLLOKOSA-N 1 0 383.458 4.284 20 0 GIADRO Cc1nn(C)c(C)c1CCC[NH2+][C@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000180604426 822710208 /nfs/dbraw/zinc/71/02/08/822710208.db2.gz CTOCDLSFLHXOMW-QHCPKHFHSA-N 1 0 390.531 4.248 20 0 GIADRO Cc1ccc(CC[NH2+][C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000180604830 822710413 /nfs/dbraw/zinc/71/04/13/822710413.db2.gz DSDLTQDRDVKDSF-QHCPKHFHSA-N 1 0 379.525 4.320 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)c1ccccc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000180605552 822710536 /nfs/dbraw/zinc/71/05/36/822710536.db2.gz JXUFQLGLFUQNNM-KSFYIVLOSA-N 1 0 378.447 4.462 20 0 GIADRO C[C@H]([NH2+]Cc1ccccc1Cn1cccn1)c1ccc(Br)cc1O ZINC000184911433 822711973 /nfs/dbraw/zinc/71/19/73/822711973.db2.gz JACQBYIAVPJYAR-AWEZNQCLSA-N 1 0 386.293 4.250 20 0 GIADRO Cc1ccc([C@H](CNC(=O)[C@H]2C[C@@H]2c2cc(F)c(F)c(F)c2)[NH+]2CCCC2)o1 ZINC000184912756 822712242 /nfs/dbraw/zinc/71/22/42/822712242.db2.gz ZLBMEVLNPFXZKZ-VKJFTORMSA-N 1 0 392.421 4.062 20 0 GIADRO Cn1cc(NC(=O)N(CC[NH+](C)C)Cc2cccs2)c(C2CCCCC2)n1 ZINC000455719633 822712819 /nfs/dbraw/zinc/71/28/19/822712819.db2.gz OKGVVIKMSXZZRC-UHFFFAOYSA-N 1 0 389.569 4.125 20 0 GIADRO CC[C@H]1c2ccsc2CCN1C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1 ZINC000184918765 822712851 /nfs/dbraw/zinc/71/28/51/822712851.db2.gz AZQOPYDDDDYXPN-FQEVSTJZSA-N 1 0 398.576 4.431 20 0 GIADRO Cc1c(Cl)cccc1NC(=O)[C@@H](C)N1CC[NH+](CC2CCCCC2)CC1 ZINC000049982021 822713190 /nfs/dbraw/zinc/71/31/90/822713190.db2.gz HLRVHLODMSTHNF-QGZVFWFLSA-N 1 0 377.960 4.173 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccccc2OCCF)[C@H]1c1cccs1 ZINC000455720632 822713315 /nfs/dbraw/zinc/71/33/15/822713315.db2.gz GMPNFDISEYJMFE-KXBFYZLASA-N 1 0 391.512 4.301 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)c1ccc2ccccc2c1 ZINC000184921592 822713339 /nfs/dbraw/zinc/71/33/39/822713339.db2.gz ZGZDQHYIIKOTPP-KRWDZBQOSA-N 1 0 380.513 4.231 20 0 GIADRO C[C@H](C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)c1cn(C)c2ccccc12 ZINC000184922663 822713615 /nfs/dbraw/zinc/71/36/15/822713615.db2.gz DFKBIZSRUOSLAY-OXJNMPFZSA-N 1 0 381.545 4.297 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1cn(C)nc1C1CCCCC1)c1ccco1 ZINC000455723288 822713855 /nfs/dbraw/zinc/71/38/55/822713855.db2.gz ZODQMZFRPWMYSJ-SFHVURJKSA-N 1 0 387.528 4.265 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)N[C@H](c3ncccc3C)C(C)C)c2)CC1 ZINC000184924709 822713962 /nfs/dbraw/zinc/71/39/62/822713962.db2.gz NSTVRIVVLNUFAS-NRFANRHFSA-N 1 0 395.551 4.051 20 0 GIADRO O=C(Nc1ccc(C(=O)N2CCC([NH+]3CCCCC3)CC2)cc1)c1ccccc1 ZINC000050009231 822713991 /nfs/dbraw/zinc/71/39/91/822713991.db2.gz YBAQNGDCHNEHIB-UHFFFAOYSA-N 1 0 391.515 4.029 20 0 GIADRO CC[C@H]([NH2+]Cc1ccc(SC(=O)N(C)C)cc1)c1ccc2c(c1)OCCO2 ZINC000180621245 822714321 /nfs/dbraw/zinc/71/43/21/822714321.db2.gz LFFJQRBNUYJNES-SFHVURJKSA-N 1 0 386.517 4.472 20 0 GIADRO COc1ccc([C@@H]2CCCN2C(=O)c2cccc(C[NH+]3CCCC3)c2)c(OC)c1 ZINC000050027173 822714854 /nfs/dbraw/zinc/71/48/54/822714854.db2.gz LXEYHWSVFARIEF-QFIPXVFZSA-N 1 0 394.515 4.277 20 0 GIADRO Cc1ccc(NC(=O)C(C)C)cc1NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000050032674 822715273 /nfs/dbraw/zinc/71/52/73/822715273.db2.gz UKQIQMMZAVBLAC-UHFFFAOYSA-N 1 0 379.504 4.438 20 0 GIADRO Cc1sc([C@@H](C)[NH2+]C[C@H](O)COCC(C)C)nc1-c1ccc(Cl)cc1 ZINC000184941963 822716308 /nfs/dbraw/zinc/71/63/08/822716308.db2.gz XALMGXACTNDVOX-DYVFJYSZSA-N 1 0 382.957 4.456 20 0 GIADRO COc1c(Cl)cccc1NC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000050059170 822716663 /nfs/dbraw/zinc/71/66/63/822716663.db2.gz GONVYKOAFZFSTG-CQSZACIVSA-N 1 0 393.940 4.444 20 0 GIADRO CCn1ncc2ccc(NC(=O)NC[C@H]3CCC[N@H+](Cc4cccs4)C3)cc21 ZINC000050060386 822716850 /nfs/dbraw/zinc/71/68/50/822716850.db2.gz BPSNIGLJOAWLHU-MRXNPFEDSA-N 1 0 397.548 4.151 20 0 GIADRO Cc1sc([C@H](C)[NH2+]C[C@H](C)CS(C)(=O)=O)nc1-c1ccc(Cl)cc1 ZINC000184947313 822716992 /nfs/dbraw/zinc/71/69/92/822716992.db2.gz AYOOZEBLDBLQGP-RYUDHWBXSA-N 1 0 386.970 4.103 20 0 GIADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2cc(C)c(C)cc2Cl)[C@@H](C)C1 ZINC000455738138 822717412 /nfs/dbraw/zinc/71/74/12/822717412.db2.gz YSPYNOXHYWZCLQ-WMZOPIPTSA-N 1 0 381.948 4.215 20 0 GIADRO CSc1cccc(C)c1NC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000184952082 822717672 /nfs/dbraw/zinc/71/76/72/822717672.db2.gz FMQXXLPCKQVXML-LJQANCHMSA-N 1 0 383.561 4.403 20 0 GIADRO COC(=O)CCC[NH2+][C@H](C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000184956532 822718241 /nfs/dbraw/zinc/71/82/41/822718241.db2.gz JYARIVQYRIPGGU-LLVKDONJSA-N 1 0 383.311 4.176 20 0 GIADRO CC(C)NC(=O)CC[NH2+][C@@H](C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000184960950 822718746 /nfs/dbraw/zinc/71/87/46/822718746.db2.gz LBAMCEUQNBHYTK-LBPRGKRZSA-N 1 0 396.354 4.138 20 0 GIADRO Cc1ccsc1[C@H](Cc1ccccc1)[NH2+][C@@H]1CCN(CC(F)(F)F)C1=O ZINC000184965163 822719335 /nfs/dbraw/zinc/71/93/35/822719335.db2.gz RBPHUJFXHIUBOP-CVEARBPZSA-N 1 0 382.451 4.093 20 0 GIADRO CCCC[NH+]1CCC(NC(=O)Nc2c(C)ccc(F)c2Br)CC1 ZINC000455751878 822719700 /nfs/dbraw/zinc/71/97/00/822719700.db2.gz OCEAOZVYOLUKJE-UHFFFAOYSA-N 1 0 386.309 4.283 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)C[NH2+][C@@H](Cc2ccccc2)c2cccs2)cc1 ZINC000184973491 822720099 /nfs/dbraw/zinc/72/00/99/822720099.db2.gz FGTFWXGAGKOIKB-FQEVSTJZSA-N 1 0 393.512 4.219 20 0 GIADRO Cc1cc([C@H]2CCCN2C(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)on1 ZINC000050156494 822720521 /nfs/dbraw/zinc/72/05/21/822720521.db2.gz WOKCNFXSEYDBBF-NHCUHLMSSA-N 1 0 396.535 4.303 20 0 GIADRO C[C@@H](Cc1ccsc1)NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000050157551 822720664 /nfs/dbraw/zinc/72/06/64/822720664.db2.gz XDYLIEXBHOTCKG-HNNXBMFYSA-N 1 0 391.968 4.296 20 0 GIADRO O=C(C[NH2+][C@H](Cc1ccccc1)c1cccs1)N1CCc2sccc2C1 ZINC000184979725 822721120 /nfs/dbraw/zinc/72/11/20/822721120.db2.gz POSWKWGPNASFPR-GOSISDBHSA-N 1 0 382.554 4.268 20 0 GIADRO CCCn1ncc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1C1CC1 ZINC000455761785 822721609 /nfs/dbraw/zinc/72/16/09/822721609.db2.gz ZCEWTDFAOZGDJV-PXNSSMCTSA-N 1 0 395.551 4.203 20 0 GIADRO Cc1ccc(F)c(Br)c1NC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000455761326 822721642 /nfs/dbraw/zinc/72/16/42/822721642.db2.gz ZITIQQVTFOHKNS-LBPRGKRZSA-N 1 0 386.309 4.091 20 0 GIADRO COCCOc1ccc(C[NH2+][C@@H](C)c2ccc(Br)cc2O)cc1 ZINC000185012544 822725123 /nfs/dbraw/zinc/72/51/23/822725123.db2.gz UEQRAVMSGYAYAT-ZDUSSCGKSA-N 1 0 380.282 4.031 20 0 GIADRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)Nc1ncc(C2CCOCC2)s1 ZINC000455792959 822727554 /nfs/dbraw/zinc/72/75/54/822727554.db2.gz RCVSQNZCQZGERX-DLBZAZTESA-N 1 0 394.585 4.059 20 0 GIADRO CCOc1ccc([C@@H]([NH2+]Cc2cc(-c3cnn(C)c3)no2)C(C)C)cc1OCC ZINC000185048841 822729079 /nfs/dbraw/zinc/72/90/79/822729079.db2.gz OUJLEJOOHFJLGY-QFIPXVFZSA-N 1 0 398.507 4.359 20 0 GIADRO Cc1c(Br)scc1C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000185049995 822729287 /nfs/dbraw/zinc/72/92/87/822729287.db2.gz BCHUXMIFHUYUIQ-UHFFFAOYSA-N 1 0 383.311 4.012 20 0 GIADRO COc1cccc([C@H](CNC(=O)Nc2ccccc2C(C)(F)F)[NH+](C)C)c1 ZINC000455804850 822729345 /nfs/dbraw/zinc/72/93/45/822729345.db2.gz KACXUAUCJAAZAL-SFHVURJKSA-N 1 0 377.435 4.231 20 0 GIADRO COc1cc(OC)c(C[NH2+][C@@H](C)c2ccc(Br)cc2O)c(OC)c1 ZINC000185066234 822731698 /nfs/dbraw/zinc/73/16/98/822731698.db2.gz DTPCSFGCCSUKDI-NSHDSACASA-N 1 0 396.281 4.031 20 0 GIADRO C[C@@H]([NH2+]CCCc1nc(-c2ccccc2)no1)c1nc(-c2cccc(F)c2)no1 ZINC000185067534 822732088 /nfs/dbraw/zinc/73/20/88/822732088.db2.gz AIYFJNJNASJCNJ-CQSZACIVSA-N 1 0 393.422 4.209 20 0 GIADRO CCCn1ncc(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1C1CC1 ZINC000455830800 822733331 /nfs/dbraw/zinc/73/33/31/822733331.db2.gz NJEZCVLSSDWCLE-SFHVURJKSA-N 1 0 385.512 4.112 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)CCCOCc2ccccc2)CC1 ZINC000050584244 822733963 /nfs/dbraw/zinc/73/39/63/822733963.db2.gz BVNUGORISBPBEH-UHFFFAOYSA-N 1 0 380.532 4.073 20 0 GIADRO O=C(CCCOCc1ccccc1)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000050627661 822735050 /nfs/dbraw/zinc/73/50/50/822735050.db2.gz FMZLDSNAIRPXBK-QHCPKHFHSA-N 1 0 380.532 4.012 20 0 GIADRO CN1CCC[C@@H](NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)c2ccccc21 ZINC000455852984 822737364 /nfs/dbraw/zinc/73/73/64/822737364.db2.gz MHOCBXVIKUQSDL-NHCUHLMSSA-N 1 0 378.520 4.328 20 0 GIADRO COC[C@H](NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)c1ccc(F)c(F)c1 ZINC000455854522 822737459 /nfs/dbraw/zinc/73/74/59/822737459.db2.gz MZMBZYYXDFVBCM-PMACEKPBSA-N 1 0 389.446 4.023 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CC[C@]4(C3)CCc3ccccc3O4)ccc21 ZINC000455853990 822737520 /nfs/dbraw/zinc/73/75/20/822737520.db2.gz MUGVYYGFHAQURG-QPPBQGQZSA-N 1 0 391.515 4.237 20 0 GIADRO CN(C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)[C@H](c1ncc[nH]1)c1ccccc1 ZINC000455859825 822738514 /nfs/dbraw/zinc/73/85/14/822738514.db2.gz QDBVYKBQUXJIMU-SFTDATJTSA-N 1 0 389.503 4.212 20 0 GIADRO Cc1cnc(C2CCN(C(=O)Nc3ccc4c(c3)CC[C@@H]4[NH+](C)C)CC2)s1 ZINC000455863147 822739107 /nfs/dbraw/zinc/73/91/07/822739107.db2.gz RWSJHEUELHTYRP-IBGZPJMESA-N 1 0 384.549 4.412 20 0 GIADRO Cc1csc([C@@H](NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C(F)(F)F)n1 ZINC000455865916 822739377 /nfs/dbraw/zinc/73/93/77/822739377.db2.gz UQIQOAFTLUHHNA-HUUCEWRRSA-N 1 0 398.454 4.426 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)NCCCCCC(=O)OC(C)(C)C)ccc21 ZINC000455865968 822739420 /nfs/dbraw/zinc/73/94/20/822739420.db2.gz UUFANAJVUMEAKQ-IBGZPJMESA-N 1 0 389.540 4.259 20 0 GIADRO O=C(NC1CC[NH+](C2CCCC2)CC1)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000455867684 822739600 /nfs/dbraw/zinc/73/96/00/822739600.db2.gz OTIVFEAQDOECGT-RBUKOAKNSA-N 1 0 391.353 4.076 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N3Cc4ccccc4OC(C)(C)C3)ccc21 ZINC000455867866 822739699 /nfs/dbraw/zinc/73/96/99/822739699.db2.gz VIFOBCBFSFNGJC-FQEVSTJZSA-N 1 0 379.504 4.441 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCC(C(=O)c4ccccc4)CC3)ccc21 ZINC000455873901 822740750 /nfs/dbraw/zinc/74/07/50/822740750.db2.gz AEECMACTWHNJHQ-JOCHJYFZSA-N 1 0 391.515 4.362 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N(Cc3cc[nH]n3)Cc3ccccc3)ccc21 ZINC000455876877 822741178 /nfs/dbraw/zinc/74/11/78/822741178.db2.gz BNMTZFMZBQTYFU-JOCHJYFZSA-N 1 0 389.503 4.193 20 0 GIADRO COCCCOc1cccc(NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)c1 ZINC000455891714 822743393 /nfs/dbraw/zinc/74/33/93/822743393.db2.gz BXZDNDBAYCVWEX-OAQYLSRUSA-N 1 0 383.492 4.295 20 0 GIADRO C[N@@H+](Cc1ccccc1OC(F)(F)F)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000185156901 822744001 /nfs/dbraw/zinc/74/40/01/822744001.db2.gz LJHLCXBAFSSAKR-UHFFFAOYSA-N 1 0 386.458 4.302 20 0 GIADRO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000050995759 822743962 /nfs/dbraw/zinc/74/39/62/822743962.db2.gz BZTLSDDYRUJHJW-OAHLLOKOSA-N 1 0 377.941 4.202 20 0 GIADRO CCSCc1ccc(NC(=O)N(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cc1 ZINC000455896578 822744287 /nfs/dbraw/zinc/74/42/87/822744287.db2.gz OFRVQSWAFJVNMW-FPOVZHCZSA-N 1 0 398.576 4.491 20 0 GIADRO Cc1c(Br)scc1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000185165691 822744804 /nfs/dbraw/zinc/74/48/04/822744804.db2.gz SWAWQXRSHMVKBK-UHFFFAOYSA-N 1 0 385.371 4.203 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)Nc3cnn(Cc4ccccc4)c3)ccc21 ZINC000455900410 822744872 /nfs/dbraw/zinc/74/48/72/822744872.db2.gz FUCZMCAMPMHYQM-NRFANRHFSA-N 1 0 375.476 4.124 20 0 GIADRO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000051049318 822744873 /nfs/dbraw/zinc/74/48/73/822744873.db2.gz HAGONGMPAPOWOT-KNQAVFIVSA-N 1 0 395.547 4.177 20 0 GIADRO COc1ccccc1C[C@H]1CCCN1C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455902868 822745442 /nfs/dbraw/zinc/74/54/42/822745442.db2.gz GKUSGDVVIBATSD-IFMALSPDSA-N 1 0 393.531 4.483 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)NCCCCOCc3ccccc3)ccc21 ZINC000455902923 822745635 /nfs/dbraw/zinc/74/56/35/822745635.db2.gz GPUUVBVDTWRDRH-QFIPXVFZSA-N 1 0 381.520 4.354 20 0 GIADRO COc1ccccc1C[C@@H](C)N(C)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455905430 822746103 /nfs/dbraw/zinc/74/61/03/822746103.db2.gz HMZGVZJSZARVCU-IIBYNOLFSA-N 1 0 381.520 4.339 20 0 GIADRO Cc1ccc(O[C@H](C)C(=O)Nc2ccc(C[NH+](C)C)cc2)c(Br)c1 ZINC000051084708 822746294 /nfs/dbraw/zinc/74/62/94/822746294.db2.gz LVDKISLCJWVSRQ-CQSZACIVSA-N 1 0 391.309 4.225 20 0 GIADRO CN(C)c1ccncc1C[NH2+]Cc1ccccc1-c1ccc(Cn2cccn2)cc1 ZINC000185180545 822746320 /nfs/dbraw/zinc/74/63/20/822746320.db2.gz DMDIPCQMMDJSJL-UHFFFAOYSA-N 1 0 397.526 4.349 20 0 GIADRO Cc1ccc(C(=O)NC2CC[NH+](Cc3cc(F)cc4cccnc43)CC2)s1 ZINC000051098279 822746382 /nfs/dbraw/zinc/74/63/82/822746382.db2.gz LMEABDZPPUVSIA-UHFFFAOYSA-N 1 0 383.492 4.138 20 0 GIADRO Cc1nc(C(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)c(-c2ccccc2)o1 ZINC000185182472 822746538 /nfs/dbraw/zinc/74/65/38/822746538.db2.gz IJGATEYZDCYLHU-MRXNPFEDSA-N 1 0 390.487 4.000 20 0 GIADRO COc1ccc([C@H](CNC(=O)Nc2scnc2C(C)C)[NH+]2CCCC2)cc1 ZINC000455907420 822746558 /nfs/dbraw/zinc/74/65/58/822746558.db2.gz YIESQCLZTVYNLC-KRWDZBQOSA-N 1 0 388.537 4.234 20 0 GIADRO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132872 822747273 /nfs/dbraw/zinc/74/72/73/822747273.db2.gz ZBRDMDBGAFDIJF-LDBYXDLTSA-N 1 0 388.458 4.392 20 0 GIADRO Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000185190754 822747308 /nfs/dbraw/zinc/74/73/08/822747308.db2.gz RXNADFZRXHZDKJ-INIZCTEOSA-N 1 0 380.602 4.399 20 0 GIADRO CC[C@H]([NH2+]CCc1ccc(NC(C)=O)cc1)c1cc(Br)ccc1O ZINC000185210299 822749799 /nfs/dbraw/zinc/74/97/99/822749799.db2.gz WSLGUCIHBAVBID-SFHVURJKSA-N 1 0 391.309 4.397 20 0 GIADRO COCC[N@H+](C)CCCC1CCN(C(=O)c2scnc2C2CCCC2)CC1 ZINC000185216274 822750327 /nfs/dbraw/zinc/75/03/27/822750327.db2.gz ZUKOESQNNPZVRB-UHFFFAOYSA-N 1 0 393.597 4.011 20 0 GIADRO Cc1nc(NC(=O)N2CC[C@@H]([NH+](C)C)C2)sc1Cc1cccc(Cl)c1F ZINC000455925726 822750667 /nfs/dbraw/zinc/75/06/67/822750667.db2.gz YMBJUBGKCIWZGQ-CYBMUJFWSA-N 1 0 396.919 4.003 20 0 GIADRO CCCOc1ccc(CNC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)cc1OC ZINC000455929042 822751250 /nfs/dbraw/zinc/75/12/50/822751250.db2.gz OFERPOOCLPZXKP-HXUWFJFHSA-N 1 0 397.519 4.355 20 0 GIADRO CCCOCc1ccccc1CNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455931778 822751786 /nfs/dbraw/zinc/75/17/86/822751786.db2.gz PQNGOADBFKHEBY-QFIPXVFZSA-N 1 0 381.520 4.484 20 0 GIADRO CCCCCn1cc(CNC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)c(C)n1 ZINC000455933216 822752266 /nfs/dbraw/zinc/75/22/66/822752266.db2.gz QLYRKAHGRXCUKP-NRFANRHFSA-N 1 0 383.540 4.252 20 0 GIADRO CC[C@H]1C[C@@H](C)CN1C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000455934738 822752636 /nfs/dbraw/zinc/75/26/36/822752636.db2.gz ABNZODXXNAGGDX-ZBFHGGJFSA-N 1 0 379.932 4.465 20 0 GIADRO CC[C@@H]1C[C@H](C)CN1C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000455934733 822752681 /nfs/dbraw/zinc/75/26/81/822752681.db2.gz ABNZODXXNAGGDX-GOEBONIOSA-N 1 0 379.932 4.465 20 0 GIADRO CCOc1ccc2c(c1)CCN(C(=O)Nc1ccc3c(c1)CC[C@@H]3[NH+](C)C)C2 ZINC000455935299 822752804 /nfs/dbraw/zinc/75/28/04/822752804.db2.gz RKDGPECDAQFYFG-QFIPXVFZSA-N 1 0 379.504 4.224 20 0 GIADRO CC[C@H](CSC)NC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000455935491 822752808 /nfs/dbraw/zinc/75/28/08/822752808.db2.gz AUDDYGMWBVWQSE-CQSZACIVSA-N 1 0 385.961 4.076 20 0 GIADRO C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455938728 822753458 /nfs/dbraw/zinc/75/34/58/822753458.db2.gz SZNDFAMNKNLDQL-CIGXMFOWSA-N 1 0 399.560 4.198 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)NCc2ccc(C(F)F)cc2)CC1 ZINC000185241179 822753518 /nfs/dbraw/zinc/75/35/18/822753518.db2.gz AGNOLARTFGRNLE-UHFFFAOYSA-N 1 0 388.462 4.088 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)N2CC(C)(C)[C@@H]2C2CC2)CC1 ZINC000455939750 822753633 /nfs/dbraw/zinc/75/36/33/822753633.db2.gz HFARCLYXRUTTIK-IBGZPJMESA-N 1 0 391.943 4.465 20 0 GIADRO COc1cc(C)c([C@H](C)NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)cc1OC ZINC000455945574 822755377 /nfs/dbraw/zinc/75/53/77/822755377.db2.gz WKINFMJNIBMMKO-MGPUTAFESA-N 1 0 397.519 4.444 20 0 GIADRO CCN(Cc1ccc(OC)c(OC)c1)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455946121 822755547 /nfs/dbraw/zinc/75/55/47/822755547.db2.gz WRSRGOWCZYXRNT-FQEVSTJZSA-N 1 0 397.519 4.307 20 0 GIADRO COc1ccc(C[C@H](C)CNc2ccccc2C[NH+]2CCC(O)CC2)cc1F ZINC000185259431 822755845 /nfs/dbraw/zinc/75/58/45/822755845.db2.gz JIHGKSHWYCHKQP-KRWDZBQOSA-N 1 0 386.511 4.082 20 0 GIADRO COc1cc(CN(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C2CC2)ccc1O ZINC000455947030 822755870 /nfs/dbraw/zinc/75/58/70/822755870.db2.gz XFQTTYCGUYZQFA-FQEVSTJZSA-N 1 0 395.503 4.146 20 0 GIADRO COCCOc1ccc(NC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)c(C)c1 ZINC000455950904 822756735 /nfs/dbraw/zinc/75/67/35/822756735.db2.gz ZUIGQPBQDCKIOU-NRFANRHFSA-N 1 0 383.492 4.213 20 0 GIADRO Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH2+]CCC1(C)OCCO1 ZINC000185271397 822757565 /nfs/dbraw/zinc/75/75/65/822757565.db2.gz QALIMYMJZDKGJR-UHFFFAOYSA-N 1 0 377.488 4.090 20 0 GIADRO CCc1c2ccccc2oc1[C@H](C)[NH2+]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000185271135 822757604 /nfs/dbraw/zinc/75/76/04/822757604.db2.gz SBLXYZBMVAUADD-HNNXBMFYSA-N 1 0 383.467 4.217 20 0 GIADRO C[C@@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)c1ccc(OC(C)(C)C)cc1 ZINC000185276726 822758393 /nfs/dbraw/zinc/75/83/93/822758393.db2.gz FWKKJMDVWAENCX-MRXNPFEDSA-N 1 0 387.499 4.085 20 0 GIADRO Cc1ncc(C[N@H+](C)C[C@H](O)CO[C@@H](c2ccccc2)c2ccc(C)cc2)s1 ZINC000051408094 822758819 /nfs/dbraw/zinc/75/88/19/822758819.db2.gz CIMDZJSEYZLYGP-GMAHTHKFSA-N 1 0 396.556 4.359 20 0 GIADRO COc1ccccc1[C@@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)C1CCCC1 ZINC000185281088 822758860 /nfs/dbraw/zinc/75/88/60/822758860.db2.gz HPLQBTBUCFAJKO-QFIPXVFZSA-N 1 0 399.510 4.087 20 0 GIADRO O=C(Nc1cc(Cl)cc(Br)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000455971742 822759311 /nfs/dbraw/zinc/75/93/11/822759311.db2.gz OEBCRLBYGRIUCI-UHFFFAOYSA-N 1 0 386.721 4.195 20 0 GIADRO O=C(Nc1ccc2cnccc2c1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000455971732 822759350 /nfs/dbraw/zinc/75/93/50/822759350.db2.gz ODAZSLZIHDHIKM-FCHUYYIVSA-N 1 0 386.499 4.221 20 0 GIADRO O=C(Nc1cc(Cl)cc(Br)c1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000455973324 822759581 /nfs/dbraw/zinc/75/95/81/822759581.db2.gz REJJLJNCLRTRAA-HNNXBMFYSA-N 1 0 386.721 4.195 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@H]2c3ccccc3CCC[C@H]2C)ccc1S(C)(=O)=O ZINC000185286330 822759862 /nfs/dbraw/zinc/75/98/62/822759862.db2.gz DFWMCAWDGWEPCH-ZMPRRUGASA-N 1 0 387.545 4.463 20 0 GIADRO COc1ccc(C[C@H](C)C[NH2+]CC2CCN(C(=O)c3ccccc3)CC2)cc1F ZINC000185295412 822761149 /nfs/dbraw/zinc/76/11/49/822761149.db2.gz DESFIDPGQOPTSR-SFHVURJKSA-N 1 0 398.522 4.155 20 0 GIADRO CC[NH+](CC)CCOc1ccc(CNC(=O)Nc2c(F)cc(F)cc2F)cc1 ZINC000174279027 822761978 /nfs/dbraw/zinc/76/19/78/822761978.db2.gz GEUNSYINESSJMG-UHFFFAOYSA-N 1 0 395.425 4.146 20 0 GIADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)CC1 ZINC000455989305 822762526 /nfs/dbraw/zinc/76/25/26/822762526.db2.gz GQUDHWAEKAFYNR-ONGXBYRLSA-N 1 0 383.923 4.180 20 0 GIADRO O[C@@H](c1ccccc1)C1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1 ZINC000051531242 822764477 /nfs/dbraw/zinc/76/44/77/822764477.db2.gz UOWCCTMBVRQQBZ-FQEVSTJZSA-N 1 0 383.517 4.176 20 0 GIADRO Cc1cnc([C@H]([NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)C2CC2)s1 ZINC000185329893 822766888 /nfs/dbraw/zinc/76/68/88/822766888.db2.gz QWCIHTVDIIUEKH-IUODEOHRSA-N 1 0 387.332 4.239 20 0 GIADRO Cc1cc(C[NH2+]Cc2ccc(Cn3ccccc3=O)cc2)c(OC(F)F)cc1C ZINC000174301783 822767203 /nfs/dbraw/zinc/76/72/03/822767203.db2.gz MDYOWZTZJARCLU-UHFFFAOYSA-N 1 0 398.453 4.405 20 0 GIADRO COc1ccccc1-c1ccc(C[NH2+]Cc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000174308132 822768440 /nfs/dbraw/zinc/76/84/40/822768440.db2.gz VPDOPZVDNKBHSW-UHFFFAOYSA-N 1 0 381.497 4.056 20 0 GIADRO CC[C@H](C(=O)N1CCC([NH2+]Cc2cccc(COC)c2)CC1)c1ccccc1 ZINC000174326580 822771437 /nfs/dbraw/zinc/77/14/37/822771437.db2.gz IOCSKSFTZPDFFT-QHCPKHFHSA-N 1 0 380.532 4.107 20 0 GIADRO COc1ccccc1-c1ccc(C[NH2+]Cc2cccc(CS(C)(=O)=O)c2)cc1 ZINC000174327001 822771656 /nfs/dbraw/zinc/77/16/56/822771656.db2.gz CBBKSGRJUHQVHN-UHFFFAOYSA-N 1 0 395.524 4.197 20 0 GIADRO C[C@@H](NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)c1ccc(-c2ccncc2)cc1 ZINC000174340821 822774857 /nfs/dbraw/zinc/77/48/57/822774857.db2.gz SIQKPVVEMNCODV-AUSIDOKSSA-N 1 0 392.547 4.470 20 0 GIADRO C[C@@H](c1ccccc1)[N@H+](C)CC(=O)NCc1cccc(COCc2ccco2)c1 ZINC000051709736 822775675 /nfs/dbraw/zinc/77/56/75/822775675.db2.gz PAQZTRKCCFXNFY-IBGZPJMESA-N 1 0 392.499 4.306 20 0 GIADRO CC[NH+](CC)CCOc1ccc(C(=O)N2CC[C@H](C(F)(F)F)C[C@H]2C)cc1 ZINC000456126857 822781347 /nfs/dbraw/zinc/78/13/47/822781347.db2.gz MVKJAROMTQZFGQ-WBVHZDCISA-N 1 0 386.458 4.210 20 0 GIADRO CCO[C@@H](C)c1nc(C[N@H+](CC)CC2CCN(c3ccccn3)CC2)cs1 ZINC000174389786 822782364 /nfs/dbraw/zinc/78/23/64/822782364.db2.gz FQQQPCJKHDOXGB-KRWDZBQOSA-N 1 0 388.581 4.374 20 0 GIADRO Cc1ccc2[nH]cc(CCC(=O)NC[C@@H]3CCC[N@H+](Cc4cccs4)C3)c2c1 ZINC000174396001 822783780 /nfs/dbraw/zinc/78/37/80/822783780.db2.gz LAVIYXRYEJHVEI-SFHVURJKSA-N 1 0 395.572 4.499 20 0 GIADRO C[N@H+](CCCNC(=O)c1ccccc1Oc1cccnc1)Cc1ccccc1 ZINC000051977740 822784739 /nfs/dbraw/zinc/78/47/39/822784739.db2.gz YWDICZMRDRIEDI-UHFFFAOYSA-N 1 0 375.472 4.126 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)c1ccc(NC(N)=O)cc1 ZINC000185445490 822784765 /nfs/dbraw/zinc/78/47/65/822784765.db2.gz IPZJWUJGJQYKPL-QWRGUYRKSA-N 1 0 378.270 4.057 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)c1cc(NC(=O)NC(C)(C)C)ccc1Cl ZINC000456174323 822786418 /nfs/dbraw/zinc/78/64/18/822786418.db2.gz SFTAPRYVJPGEJQ-UHFFFAOYSA-N 1 0 396.963 4.110 20 0 GIADRO CC[C@H](Cc1ccccc1Br)N(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC000185455914 822786606 /nfs/dbraw/zinc/78/66/06/822786606.db2.gz JJHXAHPWCZBKOO-GOSISDBHSA-N 1 0 395.385 4.349 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1cc(Br)cc(F)c1[O-] ZINC000185459524 822786980 /nfs/dbraw/zinc/78/69/80/822786980.db2.gz DISAOGDZAZZBNF-LLVKDONJSA-N 1 0 399.279 4.345 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCSCC2)c1)c1ncoc1-c1ccc(F)cc1 ZINC000185466954 822787720 /nfs/dbraw/zinc/78/77/20/822787720.db2.gz UHEXGHVOQXISPT-UHFFFAOYSA-N 1 0 397.475 4.282 20 0 GIADRO O=C(CC[NH+]1CCC(O)(c2ccccc2)CC1)Nc1c(Cl)cccc1Cl ZINC000185469601 822787759 /nfs/dbraw/zinc/78/77/59/822787759.db2.gz XFYUYSYBGQRLMB-UHFFFAOYSA-N 1 0 393.314 4.306 20 0 GIADRO O[C@H](C[NH2+]C1CCN(Cc2ccccc2)CC1)c1c(Cl)cccc1Cl ZINC000174424038 822788239 /nfs/dbraw/zinc/78/82/39/822788239.db2.gz SNBPCQHPRRIHRC-LJQANCHMSA-N 1 0 379.331 4.281 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccccc1Oc1cccnc1)c1ccco1 ZINC000052027437 822788323 /nfs/dbraw/zinc/78/83/23/822788323.db2.gz MOMSVRXGRJYLFR-IBGZPJMESA-N 1 0 379.460 4.280 20 0 GIADRO Oc1cc(F)cc(C[NH2+]CC2(c3cccc(Br)c3)CCOCC2)c1 ZINC000185474647 822788402 /nfs/dbraw/zinc/78/84/02/822788402.db2.gz SVJNYNVPUHZRNG-UHFFFAOYSA-N 1 0 394.284 4.132 20 0 GIADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2ccccc2Oc2cccnc2)C1 ZINC000052027573 822788470 /nfs/dbraw/zinc/78/84/70/822788470.db2.gz ZXCHISXCTDDRNV-CEXWTWQISA-N 1 0 379.504 4.351 20 0 GIADRO Cc1ccc(CCC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c(Br)c1 ZINC000185483851 822789436 /nfs/dbraw/zinc/78/94/36/822789436.db2.gz ANUMVCKWOFHBGE-GOSISDBHSA-N 1 0 393.369 4.167 20 0 GIADRO C[C@@H]1CCN(Cc2csc(-c3ccccn3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000174434944 822789725 /nfs/dbraw/zinc/78/97/25/822789725.db2.gz GOBGXMJSUBIQQH-GOSISDBHSA-N 1 0 378.545 4.302 20 0 GIADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@H](C)c1ccc(Cl)c2ccccc21 ZINC000185487487 822789818 /nfs/dbraw/zinc/78/98/18/822789818.db2.gz RSXXPPFQYXQAMD-VFNWGFHPSA-N 1 0 388.939 4.464 20 0 GIADRO O=C(c1cccc(F)c1)N1CCC[N@H+](CC2CCC(C(F)(F)F)CC2)CC1 ZINC000185493850 822790446 /nfs/dbraw/zinc/79/04/46/822790446.db2.gz JMJQRTDPRWQERO-UHFFFAOYSA-N 1 0 386.433 4.342 20 0 GIADRO COc1ccc(-c2noc(C[N@@H+]3CCC[C@H]3CCc3ccccc3)n2)c(OC)c1 ZINC000052106101 822790470 /nfs/dbraw/zinc/79/04/70/822790470.db2.gz WGIFHRQBSUJNHA-SFHVURJKSA-N 1 0 393.487 4.351 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H]2CCCc3cc(OC(F)F)ccc32)C1 ZINC000174448392 822791022 /nfs/dbraw/zinc/79/10/22/822791022.db2.gz FWFRWKQGIGXQAT-DNVCBOLYSA-N 1 0 395.494 4.039 20 0 GIADRO CCC[C@@H]([NH2+]Cc1cc(O)cc(F)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000185507213 822791712 /nfs/dbraw/zinc/79/17/12/822791712.db2.gz LDSSKRGLXNLDNB-OAQYLSRUSA-N 1 0 385.483 4.029 20 0 GIADRO COc1cccc(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)c1OC(F)F ZINC000456268277 822792001 /nfs/dbraw/zinc/79/20/01/822792001.db2.gz JGRBKJPDARPSGE-INIZCTEOSA-N 1 0 376.403 4.098 20 0 GIADRO CCSCC[C@@H](C)N(C)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000174455320 822792371 /nfs/dbraw/zinc/79/23/71/822792371.db2.gz CBMMNMHCDXXXFV-MRXNPFEDSA-N 1 0 383.627 4.133 20 0 GIADRO Cc1cc(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)c2c(n1)onc2C(C)C ZINC000456273677 822792443 /nfs/dbraw/zinc/79/24/43/822792443.db2.gz MEWUGIFNMMULDL-SFHVURJKSA-N 1 0 378.476 4.456 20 0 GIADRO Cc1cnc([C@H](NC(=O)NC(C)(C)CC[NH+]2CCCCCC2)C2CC2)s1 ZINC000185532008 822794017 /nfs/dbraw/zinc/79/40/17/822794017.db2.gz ISZRMNKGWAALNE-QGZVFWFLSA-N 1 0 378.586 4.247 20 0 GIADRO Cc1cc(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)nn1-c1cccc(F)c1 ZINC000456285646 822794351 /nfs/dbraw/zinc/79/43/51/822794351.db2.gz UZBKBDUJSQSQBW-OAQYLSRUSA-N 1 0 378.451 4.121 20 0 GIADRO COc1ccc(C[C@H](C)C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)cc1OC ZINC000456289160 822794598 /nfs/dbraw/zinc/79/45/98/822794598.db2.gz XLHZUFXMPQLVIR-MGPUTAFESA-N 1 0 382.504 4.070 20 0 GIADRO COc1ccc(COCCCC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)cc1 ZINC000456289737 822794696 /nfs/dbraw/zinc/79/46/96/822794696.db2.gz XXDRBXASKFYKTC-JOCHJYFZSA-N 1 0 382.504 4.180 20 0 GIADRO Cc1cc(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)c(C)n1Cc1ccccn1 ZINC000456290465 822794824 /nfs/dbraw/zinc/79/48/24/822794824.db2.gz YGTWVXXTYMKCCR-QHCPKHFHSA-N 1 0 388.515 4.349 20 0 GIADRO CC(C)Oc1ccc(NC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)c(F)c1 ZINC000052263783 822795011 /nfs/dbraw/zinc/79/50/11/822795011.db2.gz JNICXVFUOWCQPX-UHFFFAOYSA-N 1 0 391.462 4.348 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(OC(C)C)cc1F)c1ccco1 ZINC000052263913 822795079 /nfs/dbraw/zinc/79/50/79/822795079.db2.gz FKSPJJZWUOITRI-GOSISDBHSA-N 1 0 377.460 4.411 20 0 GIADRO CC(C)Oc1ccc(NC(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)c(F)c1 ZINC000052265322 822795113 /nfs/dbraw/zinc/79/51/13/822795113.db2.gz KBJFCKJLBOQMOF-LJQANCHMSA-N 1 0 377.435 4.176 20 0 GIADRO CCC(CC)c1cc(CNC(=O)NC2CC[NH+](Cc3ccccc3)CC2)on1 ZINC000174486400 822795933 /nfs/dbraw/zinc/79/59/33/822795933.db2.gz CRDFBNCPRHGIGZ-UHFFFAOYSA-N 1 0 384.524 4.042 20 0 GIADRO C[C@@H]([NH2+]Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)[C@@H]1COc2ccccc21 ZINC000185557092 822796158 /nfs/dbraw/zinc/79/61/58/822796158.db2.gz UIUDQFXQMFJZAK-WBMJQRKESA-N 1 0 389.377 4.410 20 0 GIADRO Cc1ccc(NC(=O)c2cc(COc3ccccc3F)on2)c(C[NH+](C)C)c1 ZINC000185562861 822796794 /nfs/dbraw/zinc/79/67/94/822796794.db2.gz LWZOXLOMTSLNJW-UHFFFAOYSA-N 1 0 383.423 4.015 20 0 GIADRO Cc1nn(C(C)(C)C)c(C)c1C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000052384654 822797678 /nfs/dbraw/zinc/79/76/78/822797678.db2.gz GQLOLBUZKWFVCG-UHFFFAOYSA-N 1 0 396.579 4.417 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2nc3c(s2)CCCC3)[C@@H]1c1cccs1 ZINC000174502358 822797772 /nfs/dbraw/zinc/79/77/72/822797772.db2.gz ONMQAIAAFMBIGZ-SUMWQHHRSA-N 1 0 390.578 4.288 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(-c3cccs3)nc3ccccc32)C1 ZINC000174504931 822798008 /nfs/dbraw/zinc/79/80/08/822798008.db2.gz IGDBHUWIJBCRMT-INIZCTEOSA-N 1 0 379.529 4.377 20 0 GIADRO Cc1cc(NC(=O)C2CC[NH+](Cc3ccc(Cl)c4cccnc34)CC2)no1 ZINC000052403252 822798129 /nfs/dbraw/zinc/79/81/29/822798129.db2.gz XVPJTYNVVWAWDC-UHFFFAOYSA-N 1 0 384.867 4.035 20 0 GIADRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(OCc3cccnc3)c2)C12CCC2 ZINC000174508782 822798678 /nfs/dbraw/zinc/79/86/78/822798678.db2.gz UOEUGYZAVNDTOK-VXKWHMMOSA-N 1 0 382.504 4.107 20 0 GIADRO CCc1nsc(N2CCC[N@H+](Cc3cc(Cl)cc4cccnc43)CC2)n1 ZINC000174513111 822799477 /nfs/dbraw/zinc/79/94/77/822799477.db2.gz ZYLZXBZHAWBGDA-UHFFFAOYSA-N 1 0 387.940 4.014 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)COc2ccc(-c3ccccc3)cc2Cl)C1 ZINC000174517961 822799964 /nfs/dbraw/zinc/79/99/64/822799964.db2.gz DLSCECQDZOALPJ-KRWDZBQOSA-N 1 0 386.923 4.186 20 0 GIADRO Cc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000456339292 822799982 /nfs/dbraw/zinc/79/99/82/822799982.db2.gz XKRGKINDVHIQLR-HXUWFJFHSA-N 1 0 378.451 4.121 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)CCCc2ccc3c(c2)-c2ccccc2C3)C1 ZINC000174521614 822800330 /nfs/dbraw/zinc/80/03/30/822800330.db2.gz SZFWAHCVJPTGQY-HXUWFJFHSA-N 1 0 376.544 4.381 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2sc(-c3ccc(Cl)s3)nc2C)C1 ZINC000174521436 822800369 /nfs/dbraw/zinc/80/03/69/822800369.db2.gz PSFFWCLLBSWHPQ-LBPRGKRZSA-N 1 0 383.970 4.247 20 0 GIADRO C[C@H]1CN(C(=O)c2cc(C3CC3)n(C(C)(C)C)n2)CC[N@H+](Cc2ccccc2)C1 ZINC000456353121 822801492 /nfs/dbraw/zinc/80/14/92/822801492.db2.gz ZDHVEAJSCNHGMS-GOSISDBHSA-N 1 0 394.563 4.110 20 0 GIADRO C[C@](O)(C[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccco1 ZINC000174529335 822801731 /nfs/dbraw/zinc/80/17/31/822801731.db2.gz UIUVSXFIHJSCKK-NRFANRHFSA-N 1 0 384.863 4.183 20 0 GIADRO Cc1nn(Cc2ccccc2Cl)c(Cl)c1C[NH2+]C[C@@](C)(O)c1ccco1 ZINC000174530863 822801911 /nfs/dbraw/zinc/80/19/11/822801911.db2.gz HBOAKFWDGNNQTP-LJQANCHMSA-N 1 0 394.302 4.137 20 0 GIADRO CCOCc1ccccc1CNC(=O)C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000052515314 822802206 /nfs/dbraw/zinc/80/22/06/822802206.db2.gz ZGKWPHZWQMWOQA-QFIPXVFZSA-N 1 0 386.923 4.234 20 0 GIADRO O=C(c1ccc(COc2ccccc2)cc1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174533707 822802404 /nfs/dbraw/zinc/80/24/04/822802404.db2.gz CGPIPEXYMLTYCB-OAQYLSRUSA-N 1 0 378.516 4.214 20 0 GIADRO Cn1cc(C[NH2+][C@](C)(Cc2cccc(Br)c2)c2ccccc2)cn1 ZINC000174541225 822802980 /nfs/dbraw/zinc/80/29/80/822802980.db2.gz RURQVDNXRJPPOK-HXUWFJFHSA-N 1 0 384.321 4.430 20 0 GIADRO C[N@H+](Cc1ccccc1CNC(=O)NCc1cccc(O)c1)C1CCCCC1 ZINC000052559032 822803542 /nfs/dbraw/zinc/80/35/42/822803542.db2.gz GVDYXRFEEZIIQM-UHFFFAOYSA-N 1 0 381.520 4.156 20 0 GIADRO O=C(c1csc(-c2c(F)cccc2F)n1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000174553461 822804368 /nfs/dbraw/zinc/80/43/68/822804368.db2.gz UXCYRXJOPNCBET-AWEZNQCLSA-N 1 0 391.487 4.036 20 0 GIADRO CCCOc1ccc(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1OCCC ZINC000174557455 822804635 /nfs/dbraw/zinc/80/46/35/822804635.db2.gz QWJVMTJFCHUDKV-IBGZPJMESA-N 1 0 388.552 4.212 20 0 GIADRO CCOc1ccc(OCC[NH2+][C@H](C)c2c(C)nn(CC(F)(F)F)c2C)cc1 ZINC000185635769 822804873 /nfs/dbraw/zinc/80/48/73/822804873.db2.gz WJOQSECXXCEAQJ-CYBMUJFWSA-N 1 0 385.430 4.191 20 0 GIADRO O=C(c1cn(Cc2ccccc2)c2ccccc12)N1CCN(c2cc[nH+]cc2)CC1 ZINC000052609997 822804992 /nfs/dbraw/zinc/80/49/92/822804992.db2.gz ZIDFVGZTMHMBMP-UHFFFAOYSA-N 1 0 396.494 4.047 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000185637890 822805256 /nfs/dbraw/zinc/80/52/56/822805256.db2.gz QERXJJBXCPTOAS-LLVKDONJSA-N 1 0 383.275 4.387 20 0 GIADRO CCCc1noc2nc(C3CC3)cc(C(=O)N3CC[C@H](C[NH+]4CCCCC4)C3)c12 ZINC000174562204 822805318 /nfs/dbraw/zinc/80/53/18/822805318.db2.gz QRGCQGZSXLQMIE-MRXNPFEDSA-N 1 0 396.535 4.001 20 0 GIADRO CSC1(C[NH2+]Cc2c(C)nn(Cc3ccccc3Cl)c2C)CCOCC1 ZINC000174563059 822805330 /nfs/dbraw/zinc/80/53/30/822805330.db2.gz ZTCRPHOHMDBFNF-UHFFFAOYSA-N 1 0 393.984 4.203 20 0 GIADRO COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000185640202 822805509 /nfs/dbraw/zinc/80/55/09/822805509.db2.gz VEBAYRDKHGBYOB-AWEZNQCLSA-N 1 0 376.884 4.350 20 0 GIADRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCC(O)(c4ccccc4)CC3)o2)cc1 ZINC000185640862 822805763 /nfs/dbraw/zinc/80/57/63/822805763.db2.gz WJZZSAPWMDFRSS-UHFFFAOYSA-N 1 0 378.428 4.338 20 0 GIADRO COc1cc(C[NH2+][C@H](C)CCc2cccn2C)ccc1OCc1ccncc1 ZINC000174567086 822805807 /nfs/dbraw/zinc/80/58/07/822805807.db2.gz GNLMLFXHNJNHLU-GOSISDBHSA-N 1 0 379.504 4.119 20 0 GIADRO Cc1ccc(-c2noc(CCC[NH2+][C@H](C)[C@H]3COc4ccccc43)n2)cc1F ZINC000185641769 822805905 /nfs/dbraw/zinc/80/59/05/822805905.db2.gz BKYNQFGKTSLSOY-CRAIPNDOSA-N 1 0 381.451 4.271 20 0 GIADRO COc1ccccc1NC(=O)C1CC[NH+](Cc2cccc(OC(C)C)c2)CC1 ZINC000052641804 822806138 /nfs/dbraw/zinc/80/61/38/822806138.db2.gz JKHWNOZHUVIWQM-UHFFFAOYSA-N 1 0 382.504 4.333 20 0 GIADRO COc1ccc([C@@H](CNC(=O)N2CCC[C@H]2c2cccs2)[NH+]2CCCC2)cc1 ZINC000052659439 822806647 /nfs/dbraw/zinc/80/66/47/822806647.db2.gz GGKUHJVJOLSOQV-VQTJNVASSA-N 1 0 399.560 4.440 20 0 GIADRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000052662330 822806821 /nfs/dbraw/zinc/80/68/21/822806821.db2.gz IOYDEZDXBRNSTG-SBUREZEXSA-N 1 0 390.483 4.410 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]CCOc1ccccc1Cl ZINC000185653644 822806964 /nfs/dbraw/zinc/80/69/64/822806964.db2.gz ROINRVMWMBVTNQ-NSHDSACASA-N 1 0 375.822 4.445 20 0 GIADRO CCOc1ccc(Br)cc1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000174576938 822807324 /nfs/dbraw/zinc/80/73/24/822807324.db2.gz WXLDBIDSGPKPFJ-UHFFFAOYSA-N 1 0 377.282 4.162 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc(C)cc1C ZINC000185655120 822807334 /nfs/dbraw/zinc/80/73/34/822807334.db2.gz NHTIUAOYPSQYAL-HIFRSBDPSA-N 1 0 396.457 4.357 20 0 GIADRO CN(C(=O)c1cc(Cl)cc(Cl)n1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000185660759 822807784 /nfs/dbraw/zinc/80/77/84/822807784.db2.gz KPLNYRADZMFWRW-MRXNPFEDSA-N 1 0 378.303 4.125 20 0 GIADRO C[C@H](NCC(=O)N(Cc1ccco1)c1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185675549 822809085 /nfs/dbraw/zinc/80/90/85/822809085.db2.gz QJBMFTWZAKTGJO-PMACEKPBSA-N 1 0 395.547 4.055 20 0 GIADRO Cc1ccccc1C(=O)NC1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000052746995 822809178 /nfs/dbraw/zinc/80/91/78/822809178.db2.gz DZSNAFNBGQMHAY-UHFFFAOYSA-N 1 0 376.422 4.408 20 0 GIADRO Cc1[nH]c2ccccc2c1C1=CC[N@H+](Cc2cc(=O)n3cccc(C)c3n2)CC1 ZINC000174594099 822809535 /nfs/dbraw/zinc/80/95/35/822809535.db2.gz DILXYSXIMJCUCS-UHFFFAOYSA-N 1 0 384.483 4.082 20 0 GIADRO Cc1ccc(Oc2ccccc2NC(=O)C[N@H+](C[C@@H]2CCOC2)C2CC2)cc1 ZINC000052753492 822809705 /nfs/dbraw/zinc/80/97/05/822809705.db2.gz VCTZPQOPVNZTPC-SFHVURJKSA-N 1 0 380.488 4.227 20 0 GIADRO COC(=O)COc1ccc([C@H](C)[NH2+]Cc2ccccc2Oc2cccnc2)cc1 ZINC000185683694 822809676 /nfs/dbraw/zinc/80/96/76/822809676.db2.gz TULDWRDRTWOTKU-KRWDZBQOSA-N 1 0 392.455 4.277 20 0 GIADRO Cc1[nH]c2ccccc2c1C1=CC[N@H+](CCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000174596592 822809983 /nfs/dbraw/zinc/80/99/83/822809983.db2.gz ICZFFABUGSOGHQ-UHFFFAOYSA-N 1 0 384.483 4.045 20 0 GIADRO Cc1ccc(OCc2nnc(SCC[N@@H+](C)Cc3ccc(F)cc3)o2)cc1 ZINC000185687530 822810058 /nfs/dbraw/zinc/81/00/58/822810058.db2.gz CACLNLMUPWLRMT-UHFFFAOYSA-N 1 0 387.480 4.320 20 0 GIADRO C[C@H](NCc1nn(-c2ccccc2)c2c1CCC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185699581 822811367 /nfs/dbraw/zinc/81/13/67/822811367.db2.gz NIWIGURLXJYGET-OALUTQOASA-N 1 0 378.564 4.104 20 0 GIADRO CCOc1cc(C[NH2+]C2CCC(O)(c3cccnc3)CC2)cc(Cl)c1OC ZINC000185701395 822811571 /nfs/dbraw/zinc/81/15/71/822811571.db2.gz VFMKKAIMYOYOJE-UHFFFAOYSA-N 1 0 390.911 4.062 20 0 GIADRO C[NH+](C)CCn1ccc2ccc(NC(=O)CCc3ncc(C(C)(C)C)o3)cc21 ZINC000185704091 822812145 /nfs/dbraw/zinc/81/21/45/822812145.db2.gz ZNTNCAMBJZPRDX-UHFFFAOYSA-N 1 0 382.508 4.060 20 0 GIADRO O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000052829888 822812509 /nfs/dbraw/zinc/81/25/09/822812509.db2.gz YHCFMFSFWANAIZ-OAHLLOKOSA-N 1 0 398.869 4.273 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCc1cccc(Cl)c1 ZINC000174613901 822812667 /nfs/dbraw/zinc/81/26/67/822812667.db2.gz IXYNRCALQUMFMY-HXUWFJFHSA-N 1 0 385.939 4.046 20 0 GIADRO CCCCOc1ccc(C[NH2+]C2CCC(O)(c3cccnc3)CC2)cc1OC ZINC000185709174 822812815 /nfs/dbraw/zinc/81/28/15/822812815.db2.gz HGDBVDJIOYBQMH-UHFFFAOYSA-N 1 0 384.520 4.189 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)N3CCCC[C@H]3c3ccc(C)o3)c2)CC1 ZINC000185714397 822813369 /nfs/dbraw/zinc/81/33/69/822813369.db2.gz IWGNKBFCHFGWBF-NRFANRHFSA-N 1 0 396.535 4.489 20 0 GIADRO CCc1cnc(CC[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)s1 ZINC000174624091 822813852 /nfs/dbraw/zinc/81/38/52/822813852.db2.gz UYCNWZFIEMRZKU-UHFFFAOYSA-N 1 0 389.528 4.286 20 0 GIADRO C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000174625319 822814202 /nfs/dbraw/zinc/81/42/02/822814202.db2.gz PBKLIGDEAJFOKS-QZTJIDSGSA-N 1 0 393.531 4.119 20 0 GIADRO O=C(N[C@@H]1CCO[C@H](c2cccs2)C1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000456543346 822814421 /nfs/dbraw/zinc/81/44/21/822814421.db2.gz PXBZQZRLESQIOX-AABGKKOBSA-N 1 0 384.545 4.139 20 0 GIADRO CC(C)(C)[C@@H](NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000174629236 822814443 /nfs/dbraw/zinc/81/44/43/822814443.db2.gz MGJUIABHWONMLL-ROUUACIJSA-N 1 0 395.469 4.448 20 0 GIADRO COc1ccccc1[C@@H](C[NH2+]Cc1cn(C)nc1-c1cccs1)OC(C)C ZINC000185722072 822814464 /nfs/dbraw/zinc/81/44/64/822814464.db2.gz BNFPPUKAYKTKIS-LJQANCHMSA-N 1 0 385.533 4.413 20 0 GIADRO CC(C)(CNC(=O)Cc1csc(-c2ccccc2Cl)n1)[NH+]1CCCCC1 ZINC000052894684 822814643 /nfs/dbraw/zinc/81/46/43/822814643.db2.gz MYLADKDXBJQVBA-UHFFFAOYSA-N 1 0 391.968 4.387 20 0 GIADRO O=C([C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000456552216 822815412 /nfs/dbraw/zinc/81/54/12/822815412.db2.gz DOGNSODQDMPEFJ-WIYYLYMNSA-N 1 0 382.479 4.385 20 0 GIADRO COc1cc(C[NH2+]Cc2ccc(-c3csc(C)n3)cc2)cc(OC)c1OC ZINC000052916011 822815560 /nfs/dbraw/zinc/81/55/60/822815560.db2.gz PXSGVOCNAPMLME-UHFFFAOYSA-N 1 0 384.501 4.434 20 0 GIADRO Cc1c2cccc(C)c2oc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000052958973 822817107 /nfs/dbraw/zinc/81/71/07/822817107.db2.gz GAZIKJXWPYHQDI-UHFFFAOYSA-N 1 0 377.488 4.362 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1nc(C2CC2)cs1 ZINC000174656236 822819023 /nfs/dbraw/zinc/81/90/23/822819023.db2.gz BGOUMOIIGUAWJH-KRWDZBQOSA-N 1 0 384.549 4.396 20 0 GIADRO O=C(NCc1ccc(F)cc1)C1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000053049032 822819682 /nfs/dbraw/zinc/81/96/82/822819682.db2.gz CTCOCIMJZJVZKV-UHFFFAOYSA-N 1 0 394.412 4.373 20 0 GIADRO Cc1onc(-c2ccc(F)cc2)c1C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000053056194 822820159 /nfs/dbraw/zinc/82/01/59/822820159.db2.gz MNVYMHIDPNMKCB-HZPDHXFCSA-N 1 0 387.499 4.277 20 0 GIADRO COc1cc(NC(=O)CC[N@H+](C)[C@@H](C)c2ccccc2)c(OC)cc1Cl ZINC000174663828 822820527 /nfs/dbraw/zinc/82/05/27/822820527.db2.gz BRXLILYRNKNATG-AWEZNQCLSA-N 1 0 376.884 4.379 20 0 GIADRO Cc1ccc(C(=O)NC2CC[NH+](C3CCC3)CC2)c(Sc2ccccc2)n1 ZINC000456679495 822822078 /nfs/dbraw/zinc/82/20/78/822822078.db2.gz AXEVJRARBDMJLP-UHFFFAOYSA-N 1 0 381.545 4.288 20 0 GIADRO CC[C@@H](Cc1ccccc1Br)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000456685030 822822456 /nfs/dbraw/zinc/82/24/56/822822456.db2.gz PQRHPRUBAFHBNG-HNNXBMFYSA-N 1 0 393.369 4.151 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)c2ccnc(OCc3ccccc3)c2)CC1 ZINC000053119964 822822663 /nfs/dbraw/zinc/82/26/63/822822663.db2.gz GRRPHADEEQPBPY-UHFFFAOYSA-N 1 0 395.547 4.245 20 0 GIADRO Cc1onc(-c2ccccn2)c1C(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000456687663 822822676 /nfs/dbraw/zinc/82/26/76/822822676.db2.gz GBFYKZJITWQJKB-UHFFFAOYSA-N 1 0 384.524 4.018 20 0 GIADRO CC(C)(C)CC(C)(C)[NH2+]CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000053123532 822822842 /nfs/dbraw/zinc/82/28/42/822822842.db2.gz NKQXDKADCSIHJB-UHFFFAOYSA-N 1 0 397.445 4.029 20 0 GIADRO CCOc1ccccc1-c1cccc(C(=O)NC2CC[NH+](C3CCC3)CC2)c1 ZINC000456688071 822822812 /nfs/dbraw/zinc/82/28/12/822822812.db2.gz ZIICRLPPYUGXEA-UHFFFAOYSA-N 1 0 378.516 4.499 20 0 GIADRO Cc1nnc(-c2ccc(C(=O)N3CC[NH+](C(C)(C)CC(C)(C)C)CC3)cc2)o1 ZINC000456692398 822823282 /nfs/dbraw/zinc/82/32/82/822823282.db2.gz LLFSSTYKUXMPCY-UHFFFAOYSA-N 1 0 384.524 4.018 20 0 GIADRO C[N@H+](CCCc1nc(-c2cccs2)no1)Cc1ccccc1N1CCCC1 ZINC000053143845 822823357 /nfs/dbraw/zinc/82/33/57/822823357.db2.gz URKXCRPJGNTHRM-UHFFFAOYSA-N 1 0 382.533 4.463 20 0 GIADRO CC(C)c1noc2nc(C3CC3)cc(C(=O)N(CC[NH+](C)C)C3CCCC3)c21 ZINC000053153020 822823771 /nfs/dbraw/zinc/82/37/71/822823771.db2.gz IVRBSWDPGCXAHB-UHFFFAOYSA-N 1 0 384.524 4.170 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)N[C@H](c1ncc(C)s1)C1CC1)c1ccccc1 ZINC000174691817 822824101 /nfs/dbraw/zinc/82/41/01/822824101.db2.gz FMDJQUCGCNQMHG-OALUTQOASA-N 1 0 386.565 4.285 20 0 GIADRO O=C(CCOc1ccccc1-c1ccccc1)NC1CC[NH+](C2CCC2)CC1 ZINC000456701880 822824498 /nfs/dbraw/zinc/82/44/98/822824498.db2.gz PLIIYLHDEFSZLD-UHFFFAOYSA-N 1 0 378.516 4.256 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)CCc3ccc([C@H]4C[C@H]4C)o3)c(C)c2)CC1 ZINC000053175630 822824664 /nfs/dbraw/zinc/82/46/64/822824664.db2.gz ORCYJZCFYKUOAX-UTKZUKDTSA-N 1 0 395.547 4.425 20 0 GIADRO C[C@@H](Sc1ccc(Br)cc1)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000456707258 822825294 /nfs/dbraw/zinc/82/52/94/822825294.db2.gz WMCKQKWGPGOQDS-CYBMUJFWSA-N 1 0 397.382 4.063 20 0 GIADRO CC(C)CN(C(=O)c1cc(Br)ccc1Cl)C1CC[NH+](C)CC1 ZINC000053223311 822826870 /nfs/dbraw/zinc/82/68/70/822826870.db2.gz KIAHNBRVGGRDAG-UHFFFAOYSA-N 1 0 387.749 4.295 20 0 GIADRO CC(C)CN(C(=O)Cc1csc(-c2cccc(F)c2)n1)C1CC[NH+](C)CC1 ZINC000053232552 822827048 /nfs/dbraw/zinc/82/70/48/822827048.db2.gz TUWNYPSDDJQKHP-UHFFFAOYSA-N 1 0 389.540 4.071 20 0 GIADRO COc1ccc([C@@H](CNC(=O)N(C)[C@H](C)c2ccc(F)cc2)[NH+]2CCCC2)cc1 ZINC000053235545 822827428 /nfs/dbraw/zinc/82/74/28/822827428.db2.gz YKDQSSJQNTWXOU-VGOFRKELSA-N 1 0 399.510 4.374 20 0 GIADRO Cc1ccccc1[C@H]1CCC[N@@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000053279659 822828825 /nfs/dbraw/zinc/82/88/25/822828825.db2.gz ZQXOYMPTTYBFFR-TZIWHRDSSA-N 1 0 382.467 4.369 20 0 GIADRO Cc1nnc(-c2cccc(C(=O)NC3CC[NH+]([C@H](C)c4ccccc4)CC3)c2)o1 ZINC000174728243 822829328 /nfs/dbraw/zinc/82/93/28/822829328.db2.gz AAIHZQATOJYSBB-MRXNPFEDSA-N 1 0 390.487 4.000 20 0 GIADRO CC(C)[NH+]1CCC(C(=O)Nc2cccc(C[S@@](=O)C3CCCCC3)c2)CC1 ZINC000174731079 822829646 /nfs/dbraw/zinc/82/96/46/822829646.db2.gz MWKPIHAHMXTBJU-HHHXNRCGSA-N 1 0 390.593 4.327 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)CC2(C(F)(F)F)CC2)CC1 ZINC000456790303 822831264 /nfs/dbraw/zinc/83/12/64/822831264.db2.gz KUUWSTCBPOYZTD-UHFFFAOYSA-N 1 0 390.833 4.484 20 0 GIADRO COc1ccc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1Cc1ccccc1 ZINC000174745095 822831455 /nfs/dbraw/zinc/83/14/55/822831455.db2.gz RYFPYEBADJWMJK-UTKZUKDTSA-N 1 0 381.520 4.232 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)c2cccc(F)c2F)CC1 ZINC000456793977 822831709 /nfs/dbraw/zinc/83/17/09/822831709.db2.gz QQSPPWZJULAJRP-UHFFFAOYSA-N 1 0 380.822 4.344 20 0 GIADRO Cc1c(Br)scc1C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185903470 822831788 /nfs/dbraw/zinc/83/17/88/822831788.db2.gz QCYJDYATFYAFCV-CHWSQXEVSA-N 1 0 385.371 4.202 20 0 GIADRO O=C(Nc1cccc(-c2cc[nH]n2)c1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000185912518 822832764 /nfs/dbraw/zinc/83/27/64/822832764.db2.gz RICAOJNWJMWQPU-UHFFFAOYSA-N 1 0 393.466 4.002 20 0 GIADRO CC(C)[NH+]1CCC(C(=O)NC2(c3cccc(Br)c3)CCC2)CC1 ZINC000174756147 822833042 /nfs/dbraw/zinc/83/30/42/822833042.db2.gz XNGUDLHVQJROHU-UHFFFAOYSA-N 1 0 379.342 4.065 20 0 GIADRO CC[C@H](NC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1nc(C)cs1 ZINC000174763261 822834049 /nfs/dbraw/zinc/83/40/49/822834049.db2.gz IVJMNXFWAQMHBZ-VYDXJSESSA-N 1 0 392.594 4.346 20 0 GIADRO CC1CC[NH+](C2CCC(NC(=O)Nc3cccc(-c4cc[nH]n4)c3)CC2)CC1 ZINC000185932981 822834926 /nfs/dbraw/zinc/83/49/26/822834926.db2.gz FJPOFFNBIKIDKH-UHFFFAOYSA-N 1 0 381.524 4.241 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H](c1nc(C)cs1)C1CC1 ZINC000174785685 822836620 /nfs/dbraw/zinc/83/66/20/822836620.db2.gz HBGZOXIQIBZBGT-IBGZPJMESA-N 1 0 386.565 4.244 20 0 GIADRO CC(C)COc1ccc(C(C)(C)CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000174786583 822836795 /nfs/dbraw/zinc/83/67/95/822836795.db2.gz FSOZMNJGOPLFOO-UYAOXDASSA-N 1 0 389.584 4.123 20 0 GIADRO C[C@@H](NC(=O)N(C)CCC[NH+](C)C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000185958247 822837261 /nfs/dbraw/zinc/83/72/61/822837261.db2.gz XUVVIGUOUMKMDB-QGZVFWFLSA-N 1 0 387.499 4.059 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)Nc2cccc(-c3cc[nH]n3)c2)CC1 ZINC000185961721 822838074 /nfs/dbraw/zinc/83/80/74/822838074.db2.gz RQLHBALPWOUBPZ-KRWDZBQOSA-N 1 0 389.503 4.424 20 0 GIADRO Cc1csc([C@@H](NC(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)C2CC2)n1 ZINC000174797970 822838530 /nfs/dbraw/zinc/83/85/30/822838530.db2.gz BYVVSLLIPWUVPV-IBGZPJMESA-N 1 0 398.576 4.039 20 0 GIADRO Cc1cnc([C@@H](NC(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)C2CC2)s1 ZINC000174798311 822838553 /nfs/dbraw/zinc/83/85/53/822838553.db2.gz IOLXSVFOXMGIHD-IBGZPJMESA-N 1 0 398.576 4.039 20 0 GIADRO COc1ccc([C@@H](CNC(=O)N(C)Cc2cccs2)[NH+]2CCCCC2)cc1 ZINC000053526565 822839046 /nfs/dbraw/zinc/83/90/46/822839046.db2.gz MWOPSFUGQQZKES-HXUWFJFHSA-N 1 0 387.549 4.125 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)N1CCC(c2nc3ccccc3o2)CC1)c1cccs1 ZINC000053528406 822839291 /nfs/dbraw/zinc/83/92/91/822839291.db2.gz IMWWFHPCHUEKIY-KRWDZBQOSA-N 1 0 398.532 4.081 20 0 GIADRO CN(Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000053529753 822839414 /nfs/dbraw/zinc/83/94/14/822839414.db2.gz WIRQSEOYSOEPDN-OAHLLOKOSA-N 1 0 385.455 4.211 20 0 GIADRO O=C(N[C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000456871631 822839396 /nfs/dbraw/zinc/83/93/96/822839396.db2.gz OESDTVAZWCGFRW-YFVAEKQCSA-N 1 0 390.955 4.126 20 0 GIADRO CC1(C)CC(NC(=O)N2CC[C@@H](CSc3ccccc3)C2)CC(C)(C)[NH2+]1 ZINC000174803706 822839446 /nfs/dbraw/zinc/83/94/46/822839446.db2.gz PJZRRMLTSODXLW-MRXNPFEDSA-N 1 0 375.582 4.119 20 0 GIADRO C[NH+](C)C1(CNC(=O)c2cccnc2SCc2ccc(F)cc2)CCCC1 ZINC000053540136 822839773 /nfs/dbraw/zinc/83/97/73/822839773.db2.gz OXZJQFGBLNVCIU-UHFFFAOYSA-N 1 0 387.524 4.117 20 0 GIADRO COc1cc(C[NH2+][C@H](C)c2cc(F)ccc2O)cc(Br)c1OC ZINC000185978175 822840228 /nfs/dbraw/zinc/84/02/28/822840228.db2.gz MXTDGTSBIZHJMU-SNVBAGLBSA-N 1 0 384.245 4.162 20 0 GIADRO COc1ccc([C@@H](C)NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1F ZINC000053547720 822840262 /nfs/dbraw/zinc/84/02/62/822840262.db2.gz SLQYHADTKGQJLR-UZLBHIALSA-N 1 0 385.483 4.032 20 0 GIADRO CN(Cc1ccsc1)C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000053553241 822840645 /nfs/dbraw/zinc/84/06/45/822840645.db2.gz VCRJGBGATMOUTE-SFHVURJKSA-N 1 0 377.941 4.380 20 0 GIADRO CCOc1cc2[nH+]ccc(N3CCC(C(=O)C(F)(F)F)CC3)c2cc1OCC ZINC000185987324 822841340 /nfs/dbraw/zinc/84/13/40/822841340.db2.gz ZJBIGXOGIPQNAI-UHFFFAOYSA-N 1 0 396.409 4.380 20 0 GIADRO CC(C)[C@@]1(C)C[C@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C(F)(F)F ZINC000185992321 822841814 /nfs/dbraw/zinc/84/18/14/822841814.db2.gz QLQHZSHKLAQAJI-QFBILLFUSA-N 1 0 383.458 4.078 20 0 GIADRO Cc1ccc2[nH]cc(CCC(=O)N(Cc3ccco3)C3CC[NH+](C)CC3)c2c1 ZINC000174826461 822842569 /nfs/dbraw/zinc/84/25/69/822842569.db2.gz CZGYBMNSOZMOIK-UHFFFAOYSA-N 1 0 379.504 4.125 20 0 GIADRO CCCCOc1ccc(C(=O)NC2CC[NH+](CCOC(C)C)CC2)c(Cl)c1 ZINC000186012558 822843848 /nfs/dbraw/zinc/84/38/48/822843848.db2.gz AIBGAHSBIIFXMJ-UHFFFAOYSA-N 1 0 396.959 4.138 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2ccc3c(c2)CCC(=O)N3)cc1 ZINC000053720411 822846036 /nfs/dbraw/zinc/84/60/36/822846036.db2.gz JLMPFBBPZWSVHS-INIZCTEOSA-N 1 0 377.488 4.198 20 0 GIADRO CCCc1noc(CCCC(=O)Nc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)n1 ZINC000053722257 822846290 /nfs/dbraw/zinc/84/62/90/822846290.db2.gz CEVZZYQEQLNOLF-KRWDZBQOSA-N 1 0 384.524 4.358 20 0 GIADRO COc1ccc([C@@H](NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2)c2ccco2)cc1 ZINC000457014134 822846241 /nfs/dbraw/zinc/84/62/41/822846241.db2.gz WOLWVMCYCHQDEN-HTAPYJJXSA-N 1 0 378.472 4.014 20 0 GIADRO CC(C)Cc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)cc1 ZINC000186045234 822846867 /nfs/dbraw/zinc/84/68/67/822846867.db2.gz ZIMJMFGCLPDNJA-SFHVURJKSA-N 1 0 386.561 4.276 20 0 GIADRO COc1ccc(CN2CC[C@@H]([NH2+][C@H](C)c3ccc4ccccc4c3O)C2=O)cc1 ZINC000186050160 822847331 /nfs/dbraw/zinc/84/73/31/822847331.db2.gz QIJWPJUWNPGRKM-OPAMFIHVSA-N 1 0 390.483 4.006 20 0 GIADRO CC(C)c1ccc(-c2ncc(CN3CCC([N@H+](C)CCCO)CC3)s2)cc1 ZINC000174864667 822848483 /nfs/dbraw/zinc/84/84/83/822848483.db2.gz ZSVBOXXBHAAQGR-UHFFFAOYSA-N 1 0 387.593 4.212 20 0 GIADRO CC(=O)Nc1cc(C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)ccc1F ZINC000053809987 822848946 /nfs/dbraw/zinc/84/89/46/822848946.db2.gz KAYVWSXNSLKYDA-OAHLLOKOSA-N 1 0 383.467 4.268 20 0 GIADRO CN(C(=O)CCc1ccc2ccccc2n1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457062572 822849233 /nfs/dbraw/zinc/84/92/33/822849233.db2.gz ARVBFPUTPPRIFE-UHFFFAOYSA-N 1 0 393.453 4.043 20 0 GIADRO Cc1nc2ccc(C(=O)N(C)C3CC[NH+](CCC(F)(F)F)CC3)cc2s1 ZINC000457064691 822849365 /nfs/dbraw/zinc/84/93/65/822849365.db2.gz GSTDOOBTHZABKM-UHFFFAOYSA-N 1 0 385.455 4.094 20 0 GIADRO CCOc1cc(Cl)ccc1C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457069617 822849751 /nfs/dbraw/zinc/84/97/51/822849751.db2.gz NLYBAFBVYWFLTH-UHFFFAOYSA-N 1 0 392.849 4.228 20 0 GIADRO C[C@@H](C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)c1cn(C)c2ccccc12 ZINC000457070858 822850005 /nfs/dbraw/zinc/85/00/05/822850005.db2.gz PIDVPSXWMKYYQV-OAHLLOKOSA-N 1 0 395.469 4.157 20 0 GIADRO Cc1ccc2nc(C(=O)N(C)C3CC[NH+](CCC(F)(F)F)CC3)ccc2c1 ZINC000457076224 822850331 /nfs/dbraw/zinc/85/03/31/822850331.db2.gz XVDGRKWBSKTZMC-UHFFFAOYSA-N 1 0 379.426 4.032 20 0 GIADRO Cc1cccc(C)c1NC(=O)CCC[N@@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000186088127 822850537 /nfs/dbraw/zinc/85/05/37/822850537.db2.gz AOVBPDHYMFEIOP-JOCHJYFZSA-N 1 0 380.532 4.356 20 0 GIADRO CN(C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457085668 822851672 /nfs/dbraw/zinc/85/16/72/822851672.db2.gz MUEMBHZDNUJVSR-OLZOCXBDSA-N 1 0 388.396 4.230 20 0 GIADRO CN(C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457085671 822851695 /nfs/dbraw/zinc/85/16/95/822851695.db2.gz MUEMBHZDNUJVSR-QWHCGFSZSA-N 1 0 388.396 4.230 20 0 GIADRO Cc1c2cc(C)ccc2[nH]c1C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457087685 822851966 /nfs/dbraw/zinc/85/19/66/822851966.db2.gz QOYWGQLNCPAOTK-UHFFFAOYSA-N 1 0 381.442 4.274 20 0 GIADRO CN(C(=O)[C@]1(C)CCc2ccccc2C1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457088720 822852196 /nfs/dbraw/zinc/85/21/96/822852196.db2.gz SFLCBDKTPDYOCT-HXUWFJFHSA-N 1 0 382.470 4.057 20 0 GIADRO C[C@@H]1CCc2sc(C(=O)N(C)C3CC[NH+](CCC(F)(F)F)CC3)cc2C1 ZINC000457093643 822852915 /nfs/dbraw/zinc/85/29/15/822852915.db2.gz YKCFYAGDCTYYFT-CYBMUJFWSA-N 1 0 388.499 4.362 20 0 GIADRO COc1ccc([C@H]([NH2+]CC2CCCCC2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000174902286 822853099 /nfs/dbraw/zinc/85/30/99/822853099.db2.gz NVVJNSRTQBOXIT-QFIPXVFZSA-N 1 0 387.545 4.358 20 0 GIADRO COc1cccc(F)c1NC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000186123821 822853765 /nfs/dbraw/zinc/85/37/65/822853765.db2.gz FTSDVKUROWIMNT-OAHLLOKOSA-N 1 0 399.388 4.278 20 0 GIADRO C[C@@H](CC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)C(=O)c1cccc(F)c1 ZINC000174907824 822854083 /nfs/dbraw/zinc/85/40/83/822854083.db2.gz BPWVBQGLKAJTRO-ROUUACIJSA-N 1 0 396.506 4.376 20 0 GIADRO Cc1cnc([C@H](NC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)C2CC2)s1 ZINC000174912949 822854837 /nfs/dbraw/zinc/85/48/37/822854837.db2.gz ATLXJMXNNUJEDE-RTBURBONSA-N 1 0 384.549 4.039 20 0 GIADRO CO[C@H](C)c1nc(C)c(C(=O)N[C@H](C[N@H+](C)Cc2ccccc2)C(C)C)s1 ZINC000186138819 822854900 /nfs/dbraw/zinc/85/49/00/822854900.db2.gz AEORCOYRTJFIKF-SJLPKXTDSA-N 1 0 389.565 4.045 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)CC1 ZINC000053968531 822854985 /nfs/dbraw/zinc/85/49/85/822854985.db2.gz DBOCLWXEOQWZMD-UHFFFAOYSA-N 1 0 394.563 4.218 20 0 GIADRO CCOc1ccc(Oc2ccc(NC(=O)NC3CC[NH+](CC)CC3)cc2)cc1 ZINC000053975373 822855193 /nfs/dbraw/zinc/85/51/93/822855193.db2.gz NTFNBXMVYWBRHM-UHFFFAOYSA-N 1 0 383.492 4.483 20 0 GIADRO Cc1nc(CSc2ccccc2C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)cs1 ZINC000457122459 822855396 /nfs/dbraw/zinc/85/53/96/822855396.db2.gz OQXKCTJZXCEZQU-KRWDZBQOSA-N 1 0 389.590 4.299 20 0 GIADRO CC(C)C[C@@H](C)C(=O)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000457125564 822855685 /nfs/dbraw/zinc/85/56/85/822855685.db2.gz YRNISIBWYXJPCQ-GOSISDBHSA-N 1 0 391.987 4.135 20 0 GIADRO CC(C)(C)c1ccc(SCC(=O)NC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000053990842 822856023 /nfs/dbraw/zinc/85/60/23/822856023.db2.gz RFNYMAPFDJWAFR-UHFFFAOYSA-N 1 0 397.588 4.252 20 0 GIADRO NC(=O)C1CC[NH+](Cc2cccc(NC(=O)CCCC3CCCCC3)c2)CC1 ZINC000053996763 822856166 /nfs/dbraw/zinc/85/61/66/822856166.db2.gz OZAOCUKNZFNKBG-UHFFFAOYSA-N 1 0 385.552 4.073 20 0 GIADRO CN(C)c1ccc(NC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c(C(F)(F)F)c1 ZINC000174926585 822856858 /nfs/dbraw/zinc/85/68/58/822856858.db2.gz SHFGHFSVPANQBJ-AWEZNQCLSA-N 1 0 386.462 4.110 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)Nc2cccc(COc3cccc(F)c3)c2)CC[N@@H+]1C ZINC000174928606 822857206 /nfs/dbraw/zinc/85/72/06/822857206.db2.gz OHNMKIMXHDHWFN-OXJNMPFZSA-N 1 0 385.483 4.351 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)/C=C/c1cnc(C(C)(C)C)s1 ZINC000174936488 822858194 /nfs/dbraw/zinc/85/81/94/822858194.db2.gz WPBQGFSDWKLWFA-VYENPZKTSA-N 1 0 397.588 4.434 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1O)c1ccc(-n2ccnn2)cc1 ZINC000186183962 822858848 /nfs/dbraw/zinc/85/88/48/822858848.db2.gz VQEVALDNWVXKME-STQMWFEESA-N 1 0 387.281 4.147 20 0 GIADRO CC[C@@H](Cc1ccccc1Br)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000457176073 822859067 /nfs/dbraw/zinc/85/90/67/822859067.db2.gz YYDWJMQXFYJAOK-HNNXBMFYSA-N 1 0 381.358 4.008 20 0 GIADRO CSCCCCCNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000186185123 822859097 /nfs/dbraw/zinc/85/90/97/822859097.db2.gz KNLJVMXHPHSHNN-RTWAWAEBSA-N 1 0 389.609 4.216 20 0 GIADRO Cc1ocnc1C(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457191847 822859522 /nfs/dbraw/zinc/85/95/22/822859522.db2.gz AOFSFUFFUFIUHP-NRFANRHFSA-N 1 0 381.520 4.280 20 0 GIADRO O=C(NCc1ccc(C(F)(F)F)cc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000054029948 822859583 /nfs/dbraw/zinc/85/95/83/822859583.db2.gz YCROVEREMHBZNT-UHFFFAOYSA-N 1 0 391.437 4.169 20 0 GIADRO Cc1cc(C(=O)N2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)on1 ZINC000457191844 822859594 /nfs/dbraw/zinc/85/95/94/822859594.db2.gz ANLWNYJHORNPGE-OAQYLSRUSA-N 1 0 381.520 4.280 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)c2cccc(NC(=O)[C@@H]3C[C@@H]3C)c2)c1 ZINC000054032611 822859701 /nfs/dbraw/zinc/85/97/01/822859701.db2.gz QNPAYHDOLDRBPT-HTAPYJJXSA-N 1 0 393.531 4.053 20 0 GIADRO C[C@H](C(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1)n1cccn1 ZINC000457191857 822859702 /nfs/dbraw/zinc/85/97/02/822859702.db2.gz ASNVPTPGOAHUEE-NFBKMPQASA-N 1 0 394.563 4.128 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)c2oc(Br)cc2C)c1 ZINC000054032754 822859782 /nfs/dbraw/zinc/85/97/82/822859782.db2.gz IPZFUPQIRFMMAA-UHFFFAOYSA-N 1 0 379.298 4.122 20 0 GIADRO O=C([C@@H]1CCC[C@H](O)C1)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457193368 822859788 /nfs/dbraw/zinc/85/97/88/822859788.db2.gz IGOJNUUZCVHBQK-SGNDLWITSA-N 1 0 398.591 4.221 20 0 GIADRO C[C@@H]1OCC[C@@H]1C(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457193198 822859807 /nfs/dbraw/zinc/85/98/07/822859807.db2.gz GDKOPIUFXAJMQN-AJSBUHFISA-N 1 0 384.564 4.095 20 0 GIADRO C[C@@H]1OCC[C@H]1C(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457193200 822859829 /nfs/dbraw/zinc/85/98/29/822859829.db2.gz GDKOPIUFXAJMQN-PMOQBDJRSA-N 1 0 384.564 4.095 20 0 GIADRO COc1ccccc1[C@@H](C)CC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174950376 822859980 /nfs/dbraw/zinc/85/99/80/822859980.db2.gz OPLHQPRPTSLYEA-PZJWPPBQSA-N 1 0 380.532 4.169 20 0 GIADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000186203175 822860536 /nfs/dbraw/zinc/86/05/36/822860536.db2.gz NVZWYHOZYLWTDL-CYBMUJFWSA-N 1 0 376.850 4.457 20 0 GIADRO CCOc1ccc([C@@H](C)NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000054036344 822860334 /nfs/dbraw/zinc/86/03/34/822860334.db2.gz XVRLTRNREYNNPE-GOSISDBHSA-N 1 0 381.520 4.110 20 0 GIADRO Cc1nnsc1C(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457197230 822860363 /nfs/dbraw/zinc/86/03/63/822860363.db2.gz UXJSLAJIVKFBMW-HXUWFJFHSA-N 1 0 398.576 4.144 20 0 GIADRO Cc1nc(-c2c[nH]c(C(=O)N(C)C[C@@H]3CC[N@H+](Cc4ccccc4)C3)c2)cs1 ZINC000174953479 822860553 /nfs/dbraw/zinc/86/05/53/822860553.db2.gz ABSMIKOBQJDXDY-SFHVURJKSA-N 1 0 394.544 4.041 20 0 GIADRO C[C@H]([NH2+][C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1)c1cc(Cl)ccc1O ZINC000186206459 822860940 /nfs/dbraw/zinc/86/09/40/822860940.db2.gz QHWCOLFTENLLFV-MRFFXTKBSA-N 1 0 395.330 4.422 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc2ncsc2c1 ZINC000174959015 822861506 /nfs/dbraw/zinc/86/15/06/822861506.db2.gz WRAZFVRFTBGPII-QGZVFWFLSA-N 1 0 380.517 4.282 20 0 GIADRO Cc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1NC(=O)CC[NH+](C)C ZINC000186214337 822861578 /nfs/dbraw/zinc/86/15/78/822861578.db2.gz WNUKJATVEPWLOZ-UHFFFAOYSA-N 1 0 383.536 4.040 20 0 GIADRO CCC(CC)n1nc(C)cc1C(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1 ZINC000186217391 822861649 /nfs/dbraw/zinc/86/16/49/822861649.db2.gz XEVSSHHODIZOKJ-UHFFFAOYSA-N 1 0 399.539 4.004 20 0 GIADRO Cc1ccc(NC(=O)c2cc3c(s2)CCCC3)cc1NC(=O)CC[NH+](C)C ZINC000186221541 822862069 /nfs/dbraw/zinc/86/20/69/822862069.db2.gz DKUPDKXOEZPTLQ-UHFFFAOYSA-N 1 0 385.533 4.078 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3ccc(F)c(Cl)c3F)cc2)CC1 ZINC000186223244 822862227 /nfs/dbraw/zinc/86/22/27/822862227.db2.gz NGBIGWXNKUIGBE-UHFFFAOYSA-N 1 0 393.865 4.401 20 0 GIADRO Cc1cc2cc(C[NH2+][C@H](C)c3ccc(S(=O)(=O)N(C)C)cc3)oc2cc1C ZINC000174970800 822862681 /nfs/dbraw/zinc/86/26/81/822862681.db2.gz OVKSPNHNAXPNRJ-MRXNPFEDSA-N 1 0 386.517 4.151 20 0 GIADRO C[N@H+](Cc1ccccc1CNC(=O)c1scnc1Cl)C1CCCCC1 ZINC000054138506 822863893 /nfs/dbraw/zinc/86/38/93/822863893.db2.gz MUGOSESAHXHVRC-UHFFFAOYSA-N 1 0 377.941 4.491 20 0 GIADRO Cc1ccc(C)c2c1CCC[C@H]2Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000186244312 822864188 /nfs/dbraw/zinc/86/41/88/822864188.db2.gz VBBOTNUYTHFCJN-HSZRJFAPSA-N 1 0 391.559 4.490 20 0 GIADRO CC(C)n1c(-c2ccccn2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000568959826 822865181 /nfs/dbraw/zinc/86/51/81/822865181.db2.gz LWKWYSYREGRJHX-RBUKOAKNSA-N 1 0 382.556 4.012 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC(C)(C)c1ccccc1 ZINC000174997039 822865467 /nfs/dbraw/zinc/86/54/67/822865467.db2.gz SZZDOHOPRDHVLD-NRFANRHFSA-N 1 0 379.548 4.128 20 0 GIADRO O[C@H](COc1ccc(Sc2ccncc2)cc1)C[N@@H+]1CCc2ccccc2C1 ZINC000568963966 822865667 /nfs/dbraw/zinc/86/56/67/822865667.db2.gz KMAWDUXDJDGFAT-FQEVSTJZSA-N 1 0 392.524 4.031 20 0 GIADRO COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H]2CCCOC2)cc1 ZINC000054181044 822866336 /nfs/dbraw/zinc/86/63/36/822866336.db2.gz UIOXREIPOAHFHZ-GOSISDBHSA-N 1 0 377.488 4.064 20 0 GIADRO CC1CC[NH+](Cc2cccc(CNC(=O)N3CCC[C@@H]3[C@@H]3CCCOC3)c2)CC1 ZINC000568980306 822867244 /nfs/dbraw/zinc/86/72/44/822867244.db2.gz GQEDDOZJJMVORF-DHIUTWEWSA-N 1 0 399.579 4.019 20 0 GIADRO CC[C@@H](NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c1nc(C(F)(F)F)cs1 ZINC000175015031 822867734 /nfs/dbraw/zinc/86/77/34/822867734.db2.gz RTJBYMDEDRHYDJ-NEPJUHHUSA-N 1 0 394.507 4.279 20 0 GIADRO Cc1ccc(NC(=O)[C@H]2C[C@H]2c2ccccc2Cl)cc1NC(=O)CC[NH+](C)C ZINC000186269850 822867726 /nfs/dbraw/zinc/86/77/26/822867726.db2.gz RMUYSTNXOMCBOJ-ROUUACIJSA-N 1 0 399.922 4.281 20 0 GIADRO COc1cc(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)ccc1OC(C)C ZINC000186272568 822868144 /nfs/dbraw/zinc/86/81/44/822868144.db2.gz OAGFNYHPTXJYAF-UHFFFAOYSA-N 1 0 389.540 4.401 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000054203724 822868309 /nfs/dbraw/zinc/86/83/09/822868309.db2.gz FYAFUNYASRXFBG-HNNXBMFYSA-N 1 0 391.446 4.028 20 0 GIADRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)c2ccc(COc3ccccc3)cc2)CC1 ZINC000568999724 822868498 /nfs/dbraw/zinc/86/84/98/822868498.db2.gz SKEJMGOQIHJKMM-JOCHJYFZSA-N 1 0 378.516 4.116 20 0 GIADRO COc1cncc(/C=C\CC[NH2+][C@H](C)c2c(C)nn(CC(F)(F)F)c2C)c1 ZINC000568997216 822868502 /nfs/dbraw/zinc/86/85/02/822868502.db2.gz JLFFFZBEGFHBHG-SCXUMTSISA-N 1 0 382.430 4.220 20 0 GIADRO O=C(NCc1noc2ccccc21)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000568998124 822868518 /nfs/dbraw/zinc/86/85/18/822868518.db2.gz RBQKFWOJAWAYGS-UHFFFAOYSA-N 1 0 392.503 4.203 20 0 GIADRO O=C(Nc1ccc(OC(F)(F)F)cc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000054218557 822868808 /nfs/dbraw/zinc/86/88/08/822868808.db2.gz LKAPVNPDWDKXOA-UHFFFAOYSA-N 1 0 393.409 4.371 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)[C@H]2C[C@H]2c2c(F)cccc2F)CC1 ZINC000175021383 822868836 /nfs/dbraw/zinc/86/88/36/822868836.db2.gz ARENVERYACGXJU-MOPGFXCFSA-N 1 0 384.470 4.191 20 0 GIADRO COc1cc(NC(=O)NC2CC[NH+](CC3CCCC3)CC2)ccc1OC(C)C ZINC000186276497 822868932 /nfs/dbraw/zinc/86/89/32/822868932.db2.gz FGKDCNOHDIYXMS-UHFFFAOYSA-N 1 0 389.540 4.259 20 0 GIADRO Cc1ccc(C)c(C(=O)CCC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)c1 ZINC000175022820 822869240 /nfs/dbraw/zinc/86/92/40/822869240.db2.gz OVJVXRSAAFINMX-UHFFFAOYSA-N 1 0 392.543 4.389 20 0 GIADRO Cc1oc(-c2cccs2)nc1CC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000054224125 822869367 /nfs/dbraw/zinc/86/93/67/822869367.db2.gz UGDHNHFDNQJWMR-MAUKXSAKSA-N 1 0 395.528 4.206 20 0 GIADRO C[C@H]1CCN(C(=O)c2ccc(Oc3cccc(Cl)c3Cl)nc2)[C@@H](C)[C@H]1[NH3+] ZINC000457359817 822870266 /nfs/dbraw/zinc/87/02/66/822870266.db2.gz DANTZMZQNBPTHG-PZROIBLQSA-N 1 0 394.302 4.379 20 0 GIADRO Brc1ccc(-c2c[nH]c(C[NH2+]CCC[C@H]3CCCCO3)n2)cc1 ZINC000186286113 822870730 /nfs/dbraw/zinc/87/07/30/822870730.db2.gz RSUMGKDCULTAAL-MRXNPFEDSA-N 1 0 378.314 4.278 20 0 GIADRO Cc1cc(C[NH3+])cc(NC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000457367115 822870756 /nfs/dbraw/zinc/87/07/56/822870756.db2.gz DTNJKZZSNJUFPE-UHFFFAOYSA-N 1 0 384.867 4.119 20 0 GIADRO COc1ccccc1[C@H]1[C@@H]([NH3+])CCCN1C(=O)c1csc(-c2ccc(C)o2)n1 ZINC000457367705 822870819 /nfs/dbraw/zinc/87/08/19/822870819.db2.gz XPZMFXGZYQUBEX-KXBFYZLASA-N 1 0 397.500 4.025 20 0 GIADRO CC[C@H](c1cccc(OC)c1)N(C)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000569034059 822871466 /nfs/dbraw/zinc/87/14/66/822871466.db2.gz CCGLTVODAXOPMV-QZTJIDSGSA-N 1 0 375.538 4.152 20 0 GIADRO Cc1cc(C[NH3+])cc(NC(=O)c2occc2CN2c3ccccc3C[C@H]2C)c1 ZINC000457377724 822871539 /nfs/dbraw/zinc/87/15/39/822871539.db2.gz NHAIPDCIVJDZJB-MRXNPFEDSA-N 1 0 375.472 4.250 20 0 GIADRO Cc1cc(C[NH3+])cc(NC(=O)c2ccoc2CN2c3ccccc3C[C@H]2C)c1 ZINC000457382363 822871691 /nfs/dbraw/zinc/87/16/91/822871691.db2.gz RMWMAXXYBOHECT-MRXNPFEDSA-N 1 0 375.472 4.250 20 0 GIADRO Cc1cc(Br)c(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)s1 ZINC000457383460 822871872 /nfs/dbraw/zinc/87/18/72/822871872.db2.gz FESMFPHHGVDQHH-ZDUSSCGKSA-N 1 0 399.379 4.447 20 0 GIADRO Cc1cc(Br)c(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)s1 ZINC000457383198 822871899 /nfs/dbraw/zinc/87/18/99/822871899.db2.gz FESMFPHHGVDQHH-CYBMUJFWSA-N 1 0 399.379 4.447 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](c1ccc(F)cc1)N1CCOCC1)c1nccc2ccccc21 ZINC000569039610 822872011 /nfs/dbraw/zinc/87/20/11/822872011.db2.gz DOLVFHARXWMWDF-VGSWGCGISA-N 1 0 379.479 4.098 20 0 GIADRO COC(=O)c1cccc(C[NH2+]Cc2ccc(OCc3cccs3)c(OC)c2)c1 ZINC000569039128 822872105 /nfs/dbraw/zinc/87/21/05/822872105.db2.gz OOOPZFMCIPNWOH-UHFFFAOYSA-N 1 0 397.496 4.412 20 0 GIADRO COc1ccc([C@H]2CCN(C(=O)c3cc4ccccc4s3)C[C@H]2[NH3+])cc1F ZINC000457389200 822872214 /nfs/dbraw/zinc/87/22/14/822872214.db2.gz VNNSVUQWVYHLRT-NVXWUHKLSA-N 1 0 384.476 4.006 20 0 GIADRO COc1ccc([C@@H]2CCN(C(=O)c3cc4ccccc4s3)C[C@H]2[NH3+])cc1F ZINC000457389199 822872241 /nfs/dbraw/zinc/87/22/41/822872241.db2.gz VNNSVUQWVYHLRT-DOTOQJQBSA-N 1 0 384.476 4.006 20 0 GIADRO CCOc1cc(C[NH2+]C[C@@]2(C)OCCc3sccc32)ccc1OC(F)F ZINC000569040146 822872327 /nfs/dbraw/zinc/87/23/27/822872327.db2.gz XQXOAGVWAJXOQH-LJQANCHMSA-N 1 0 383.460 4.326 20 0 GIADRO CSC[C@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000569040243 822872363 /nfs/dbraw/zinc/87/23/63/822872363.db2.gz BSFOATLCJZIOPJ-KSSFIOAISA-N 1 0 396.478 4.404 20 0 GIADRO COc1ccc(C[C@](C)(O)C[NH2+][C@@H](c2cc(F)ccc2F)C(C)C)cc1OC ZINC000569041065 822872490 /nfs/dbraw/zinc/87/24/90/822872490.db2.gz OKHCERSGKVOZAZ-YADHBBJMSA-N 1 0 393.474 4.262 20 0 GIADRO CSCc1cccnc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000569043315 822872682 /nfs/dbraw/zinc/87/26/82/822872682.db2.gz JQEFMCMIPZANIL-PZJWPPBQSA-N 1 0 395.572 4.071 20 0 GIADRO CC[NH+]1CCN(c2ccc(-c3noc(CC[C@H](C)c4ccccc4)n3)cn2)CC1 ZINC000569045893 822873077 /nfs/dbraw/zinc/87/30/77/822873077.db2.gz PNRUZJZJABIDNB-SFHVURJKSA-N 1 0 391.519 4.010 20 0 GIADRO Cc1nc(CCCC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)cs1 ZINC000175048900 822873563 /nfs/dbraw/zinc/87/35/63/822873563.db2.gz HGCGLAHPYMKQGR-UHFFFAOYSA-N 1 0 393.556 4.272 20 0 GIADRO COc1ccc([C@@H](NC(=O)NC[C@H](c2cccs2)[NH+](C)C)c2ccco2)cc1 ZINC000457444241 822875546 /nfs/dbraw/zinc/87/55/46/822875546.db2.gz FLTLAVJHWQVMJL-YLJYHZDGSA-N 1 0 399.516 4.041 20 0 GIADRO CCN(C(=O)c1coc(-c2ccccc2)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186319054 822875603 /nfs/dbraw/zinc/87/56/03/822875603.db2.gz XSVQELQCBOTBEY-HXUWFJFHSA-N 1 0 375.472 4.078 20 0 GIADRO Cc1ccc(NC(=O)CN2CCC[N@H+](CC3CCCCC3)CC2)c(Cl)c1 ZINC000054318612 822876049 /nfs/dbraw/zinc/87/60/49/822876049.db2.gz SZDHEXFFFDBOOZ-UHFFFAOYSA-N 1 0 377.960 4.175 20 0 GIADRO CC(C)COC1CC[NH+]([C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC000054322283 822876232 /nfs/dbraw/zinc/87/62/32/822876232.db2.gz IKOVBNIYBWJWJR-HXUWFJFHSA-N 1 0 394.559 4.418 20 0 GIADRO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000569068641 822876367 /nfs/dbraw/zinc/87/63/67/822876367.db2.gz XWHUYHKUODOKCI-NHCUHLMSSA-N 1 0 377.536 4.098 20 0 GIADRO C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000457452727 822876431 /nfs/dbraw/zinc/87/64/31/822876431.db2.gz RIPKPNZTWPTFBT-BZUAXINKSA-N 1 0 387.446 4.179 20 0 GIADRO CC1(C)[C@@H]([NH2+]C2CCC(O)(c3cccnc3)CC2)C[C@@H]1OCc1ccccc1 ZINC000186338615 822878118 /nfs/dbraw/zinc/87/81/18/822878118.db2.gz WKLBMCLGUXRJEC-BPBCLYCFSA-N 1 0 380.532 4.185 20 0 GIADRO O=C(Nc1ccc(OCc2ccncc2)cc1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000569083467 822878297 /nfs/dbraw/zinc/87/82/97/822878297.db2.gz QDPIPWHYMJASDD-DENIHFKCSA-N 1 0 394.519 4.047 20 0 GIADRO C[C@@H]([NH2+]C1CCC(O)(c2cccnc2)CC1)c1ccc(F)c(Br)c1 ZINC000186344564 822878995 /nfs/dbraw/zinc/87/89/95/822878995.db2.gz WNHMXBYPGKMWRH-DAIYRKSASA-N 1 0 393.300 4.464 20 0 GIADRO COc1ccc(NC(=O)N2CCC3(CC[NH2+]CC3)CC2)cc1Cc1ccccc1 ZINC000569090445 822879315 /nfs/dbraw/zinc/87/93/15/822879315.db2.gz YDOBKKPQEIONLZ-UHFFFAOYSA-N 1 0 393.531 4.284 20 0 GIADRO CC(C)C[C@H]1OCCC[C@H]1[NH2+]Cc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000186347472 822879768 /nfs/dbraw/zinc/87/97/68/822879768.db2.gz KMPLGIPLIIQQII-HZPDHXFCSA-N 1 0 375.538 4.360 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1nc2c(s1)CCC2)c1ccc(Oc2cccnc2)cc1 ZINC000569099095 822879864 /nfs/dbraw/zinc/87/98/64/822879864.db2.gz BUHOKGVUGZXVRJ-AWEZNQCLSA-N 1 0 394.500 4.108 20 0 GIADRO O=C(c1cccc(C[NH+]2CCCC2)c1)N1CC[C@@H](OCCCc2ccccc2)C1 ZINC000175093447 822881126 /nfs/dbraw/zinc/88/11/26/822881126.db2.gz KPBGJVXFFULEPS-XMMPIXPASA-N 1 0 392.543 4.146 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc2c(c1)COC(C)(C)O2)c1ccc(NC(=O)NC2CC2)cc1 ZINC000186366205 822882659 /nfs/dbraw/zinc/88/26/59/822882659.db2.gz CPCXXSQFKSAVTB-OAHLLOKOSA-N 1 0 395.503 4.466 20 0 GIADRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)[C@]2(C)CCCCO2)CC1 ZINC000457503673 822883009 /nfs/dbraw/zinc/88/30/09/822883009.db2.gz MNVKNBNNFJRDOW-FQEVSTJZSA-N 1 0 398.469 4.087 20 0 GIADRO CCOc1ccc(C[N@H+](C)CCC(=O)Nc2ccc(Cl)cc2F)cc1OC ZINC000054424785 822883581 /nfs/dbraw/zinc/88/35/81/822883581.db2.gz JVLVWZOYTWIYEZ-UHFFFAOYSA-N 1 0 394.874 4.347 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)CC[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000054425261 822884006 /nfs/dbraw/zinc/88/40/06/822884006.db2.gz ODSVOACTONWNAF-UHFFFAOYSA-N 1 0 398.837 4.411 20 0 GIADRO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(Oc3cccnc3)cc2)[C@@H]1c1ccccc1 ZINC000569149524 822884135 /nfs/dbraw/zinc/88/41/35/822884135.db2.gz MJYQXZBHXHWWHT-VXKWHMMOSA-N 1 0 388.471 4.441 20 0 GIADRO C[N@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)Cc1ccc2c(c1)OCO2 ZINC000054427305 822884165 /nfs/dbraw/zinc/88/41/65/822884165.db2.gz VMGZGNLWFQYKGK-UHFFFAOYSA-N 1 0 381.259 4.183 20 0 GIADRO CSCC1CCC(NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000457514337 822884264 /nfs/dbraw/zinc/88/42/64/822884264.db2.gz PPRWQCQVMGVMPX-UHFFFAOYSA-N 1 0 375.582 4.003 20 0 GIADRO COc1ccccc1[C@@H](C[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1)OC(C)C ZINC000186375125 822884257 /nfs/dbraw/zinc/88/42/57/822884257.db2.gz GKQVCKULKSIYKL-ORPQDFNRSA-N 1 0 375.534 4.250 20 0 GIADRO Cc1ccccc1CN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(N2CCCC2)c1 ZINC000569152480 822884588 /nfs/dbraw/zinc/88/45/88/822884588.db2.gz AMRVKCUTAHBSFF-PMACEKPBSA-N 1 0 379.548 4.293 20 0 GIADRO Cc1ccccc1CN(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(N2CCCC2)c1 ZINC000569152483 822884592 /nfs/dbraw/zinc/88/45/92/822884592.db2.gz AMRVKCUTAHBSFF-WOJBJXKFSA-N 1 0 379.548 4.293 20 0 GIADRO CC[NH+](CC)CC1CCN(C(=O)c2ccc(Oc3cccc(C)c3)cn2)CC1 ZINC000457520963 822885120 /nfs/dbraw/zinc/88/51/20/822885120.db2.gz PRKWWJPJAGZKSD-UHFFFAOYSA-N 1 0 381.520 4.376 20 0 GIADRO CC(=O)NCC[C@H]1CCC[N@H+](Cc2cn(-c3ccc(C)cc3)nc2C(C)(C)C)C1 ZINC000569155519 822885432 /nfs/dbraw/zinc/88/54/32/822885432.db2.gz GTZBXSXOOOXXMA-HXUWFJFHSA-N 1 0 396.579 4.216 20 0 GIADRO CCOC(=O)c1nn(C)cc1C[NH2+][C@H](c1ccc(C(F)(F)F)cc1)C(C)C ZINC000186386347 822885853 /nfs/dbraw/zinc/88/58/53/822885853.db2.gz ZUGIPHWCSIYHFJ-INIZCTEOSA-N 1 0 383.414 4.103 20 0 GIADRO O=C(Nc1ccccc1NC(=O)C1C[NH+](C2CCCCC2)C1)c1cccs1 ZINC000457526825 822885971 /nfs/dbraw/zinc/88/59/71/822885971.db2.gz KMOVTTRJISSPDQ-UHFFFAOYSA-N 1 0 383.517 4.203 20 0 GIADRO CC1(C)OCc2cc(C[NH2+]CCc3nc(-c4cccc(Cl)c4)no3)ccc2O1 ZINC000186387280 822886150 /nfs/dbraw/zinc/88/61/50/822886150.db2.gz PLYLOKTWISOWJG-UHFFFAOYSA-N 1 0 399.878 4.367 20 0 GIADRO O=C(c1ccc(Oc2cccc(Cl)c2)cn1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000457530524 822886620 /nfs/dbraw/zinc/88/66/20/822886620.db2.gz ZEUHZJVJGBAEAK-QGZVFWFLSA-N 1 0 385.895 4.228 20 0 GIADRO CC(=O)Nc1ccc(Cl)c(NC(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000054446277 822886622 /nfs/dbraw/zinc/88/66/22/822886622.db2.gz ZYTPCXZEXZFZKM-KBPBESRZSA-N 1 0 394.947 4.176 20 0 GIADRO COc1ccc([C@@H](C[NH2+][C@H](C)c2csc(C(C)C)n2)N(C)C)cc1OC ZINC000186393621 822887224 /nfs/dbraw/zinc/88/72/24/822887224.db2.gz MACHGWCASUBKOH-RHSMWYFYSA-N 1 0 377.554 4.237 20 0 GIADRO COCCCOc1ccccc1NC(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000054472314 822888430 /nfs/dbraw/zinc/88/84/30/822888430.db2.gz RIGNIGMBFMNGLL-ICSRJNTNSA-N 1 0 397.519 4.059 20 0 GIADRO CN1CC[C@@H]([NH2+]Cc2ccc3c(c2)COC(C)(C)O3)[C@H]1c1ccc(F)c(F)c1 ZINC000186403794 822888922 /nfs/dbraw/zinc/88/89/22/822888922.db2.gz GEIFVRJZPQXJCI-TZIWHRDSSA-N 1 0 388.458 4.145 20 0 GIADRO C[C@@H](NC(=O)NCCCCC[NH+]1CCCCC1)c1nc(C2CCCCC2)no1 ZINC000175136773 822889767 /nfs/dbraw/zinc/88/97/67/822889767.db2.gz BITARDFJAABBMO-QGZVFWFLSA-N 1 0 391.560 4.134 20 0 GIADRO Cc1cc(Br)c(C(=O)Nc2cccc(OCCC[NH+](C)C)c2)s1 ZINC000457551100 822889766 /nfs/dbraw/zinc/88/97/66/822889766.db2.gz AEGAUVHZXKABAU-UHFFFAOYSA-N 1 0 397.338 4.402 20 0 GIADRO CCOC(=O)N1CCC([C@H](C)[NH2+]Cc2ncc(-c3cccc(Cl)c3)o2)CC1 ZINC000186410180 822889986 /nfs/dbraw/zinc/88/99/86/822889986.db2.gz MVSQHQQLQDUZCH-AWEZNQCLSA-N 1 0 391.899 4.342 20 0 GIADRO CCOc1cccc(CNC(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000175141581 822890635 /nfs/dbraw/zinc/89/06/35/822890635.db2.gz FFIDKQVPWYILPX-PXNSSMCTSA-N 1 0 387.549 4.029 20 0 GIADRO C[C@H]([NH2+]CCc1cn(C)c2cc(F)ccc12)c1cccc(N2CCOC2=O)c1 ZINC000186416527 822890936 /nfs/dbraw/zinc/89/09/36/822890936.db2.gz KNJYLJBPNDPJNX-HNNXBMFYSA-N 1 0 381.451 4.167 20 0 GIADRO CCO[C@H]1C[C@H]([NH2+]CCc2nc(-c3ccccc3)c(C)s2)C12CCOCC2 ZINC000186419559 822891573 /nfs/dbraw/zinc/89/15/73/822891573.db2.gz KETJTGXWJXLCSD-OALUTQOASA-N 1 0 386.561 4.225 20 0 GIADRO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)N[C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000569199872 822892186 /nfs/dbraw/zinc/89/21/86/822892186.db2.gz MSBYBWFNQVIFCB-BHIYHBOVSA-N 1 0 391.581 4.065 20 0 GIADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccccc1CSC1=NCCS1 ZINC000175155281 822893715 /nfs/dbraw/zinc/89/37/15/822893715.db2.gz CXYHIPMBFXYFOY-QGZVFWFLSA-N 1 0 391.606 4.017 20 0 GIADRO Cc1cc(Br)cc(C)c1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000175156515 822893894 /nfs/dbraw/zinc/89/38/94/822893894.db2.gz XZECHOYOKIEKQB-MQVJKMGUSA-N 1 0 380.330 4.203 20 0 GIADRO O=C(c1ccc(Oc2cccc(Cl)c2)cn1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000457581544 822894196 /nfs/dbraw/zinc/89/41/96/822894196.db2.gz REPUPPJCECCZEG-INIZCTEOSA-N 1 0 385.895 4.085 20 0 GIADRO CC(C)n1nc(-c2ccccc2)cc1NC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000569223520 822894357 /nfs/dbraw/zinc/89/43/57/822894357.db2.gz YXSMVPZYSNAAAG-OAQYLSRUSA-N 1 0 389.503 4.221 20 0 GIADRO C[C@H](C[C@H](C)[NH3+])NC(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 ZINC000569242834 822895942 /nfs/dbraw/zinc/89/59/42/822895942.db2.gz AVGJVRCXLWJYEB-WDEREUQCSA-N 1 0 386.443 4.000 20 0 GIADRO O=C(Nc1ccc(-c2c[nH]cn2)cc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000569248606 822896415 /nfs/dbraw/zinc/89/64/15/822896415.db2.gz SMZNEEFTOZRXBO-IBGZPJMESA-N 1 0 396.441 4.173 20 0 GIADRO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000186443389 822896546 /nfs/dbraw/zinc/89/65/46/822896546.db2.gz DEYZKAPYLNXMEY-VWLOTQADSA-N 1 0 387.527 4.488 20 0 GIADRO CCCOc1c(Br)cc(C[N@H+](C)[C@@H]2CCN(C)C[C@@H]2C)cc1OC ZINC000569255100 822897166 /nfs/dbraw/zinc/89/71/66/822897166.db2.gz UNIDYKQUIPMGTB-WMLDXEAASA-N 1 0 399.373 4.019 20 0 GIADRO Cc1cc(OCc2ccccc2)c(C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)s1 ZINC000457611919 822897183 /nfs/dbraw/zinc/89/71/83/822897183.db2.gz LICBYQJRBMJYLG-FQEVSTJZSA-N 1 0 398.572 4.439 20 0 GIADRO CCCOc1c(Br)cc(C[N@H+](C)[C@H]2CCN(C)C[C@H]2C)cc1OC ZINC000569255098 822897240 /nfs/dbraw/zinc/89/72/40/822897240.db2.gz UNIDYKQUIPMGTB-PBHICJAKSA-N 1 0 399.373 4.019 20 0 GIADRO Cc1cccc(C)c1C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000175177357 822897976 /nfs/dbraw/zinc/89/79/76/822897976.db2.gz LDCSGTPKDHVHFQ-UHFFFAOYSA-N 1 0 379.504 4.370 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(Oc3cccc(Cl)c3)cn2)C1 ZINC000457624801 822898421 /nfs/dbraw/zinc/89/84/21/822898421.db2.gz RXNBILPYVYIDOX-INIZCTEOSA-N 1 0 387.911 4.331 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2sc(C)cc2OCc2ccccc2)C1 ZINC000457632017 822898952 /nfs/dbraw/zinc/89/89/52/822898952.db2.gz WTGPMPLMDBOADO-IBGZPJMESA-N 1 0 386.561 4.439 20 0 GIADRO C[C@@H]([NH2+]C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)c1cccnc1 ZINC000186463510 822899156 /nfs/dbraw/zinc/89/91/56/822899156.db2.gz FAQGEDVSHJMLRJ-CQSZACIVSA-N 1 0 377.410 4.056 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@H](C)CCCc2cccnc2)CC1 ZINC000457635568 822899405 /nfs/dbraw/zinc/89/94/05/822899405.db2.gz JDZBUAGCBJLGAM-HXUWFJFHSA-N 1 0 394.563 4.065 20 0 GIADRO C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000457640406 822899975 /nfs/dbraw/zinc/89/99/75/822899975.db2.gz QZDMAYXFSATGMH-SELNLUPBSA-N 1 0 392.547 4.022 20 0 GIADRO Cc1oc2ccc(NC(=O)N3CCC(OCC[NH+]4CCCC4)CC3)cc2c1C ZINC000186468409 822900391 /nfs/dbraw/zinc/90/03/91/822900391.db2.gz XAFLJFYHENTOSL-UHFFFAOYSA-N 1 0 385.508 4.158 20 0 GIADRO CCO[C@H]1C[C@H]([NH2+]C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)C1(C)C ZINC000186472203 822900690 /nfs/dbraw/zinc/90/06/90/822900690.db2.gz GOGNKLFYRFSMKQ-ROUUACIJSA-N 1 0 398.469 4.103 20 0 GIADRO CC[C@H](C(=O)N[C@@H](C)c1ncc(-c2ccccc2)o1)[N@H+](C)Cc1ccccc1 ZINC000569280457 822900852 /nfs/dbraw/zinc/90/08/52/822900852.db2.gz NKNJLHAJMKEWCR-FXAWDEMLSA-N 1 0 377.488 4.429 20 0 GIADRO COc1ccc(F)cc1[C@H](C)NC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000175190714 822901029 /nfs/dbraw/zinc/90/10/29/822901029.db2.gz TUGCVRWZGLHXGG-HKUYNNGSSA-N 1 0 399.510 4.059 20 0 GIADRO Cc1c([C@H](C)[NH2+]CCc2nn(C)c3ccccc23)nnn1-c1ccc(Cl)cc1 ZINC000186473582 822901167 /nfs/dbraw/zinc/90/11/67/822901167.db2.gz WWUAPIPTTPJAMZ-AWEZNQCLSA-N 1 0 394.910 4.009 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)Nc1cccnc1C(F)(F)F ZINC000569287109 822901851 /nfs/dbraw/zinc/90/18/51/822901851.db2.gz PQDNGENDZWOXCO-HNNXBMFYSA-N 1 0 392.425 4.229 20 0 GIADRO Cc1cccc(CN(C)C(=O)NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)n1 ZINC000457656467 822902304 /nfs/dbraw/zinc/90/23/04/822902304.db2.gz CBAWCJIEYMOTBY-KDURUIRLSA-N 1 0 394.563 4.210 20 0 GIADRO Cc1cc(NC(=O)c2[nH]ccc2C2CC2)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000457664462 822903392 /nfs/dbraw/zinc/90/33/92/822903392.db2.gz IHNYGXJBZIZPLR-IBGZPJMESA-N 1 0 389.503 4.096 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)/C=C/c2ccc(Cl)s2)CC1 ZINC000054671935 822903570 /nfs/dbraw/zinc/90/35/70/822903570.db2.gz ZDIFLLQWNHZLRD-CSKARUKUSA-N 1 0 375.925 4.195 20 0 GIADRO Cc1noc([C@H]2CCC[N@@H+](Cc3cc(=O)oc4cc(C)c(C(C)C)cc34)C2)n1 ZINC000054677322 822904933 /nfs/dbraw/zinc/90/49/33/822904933.db2.gz VTHNLTAOCJNDNM-INIZCTEOSA-N 1 0 381.476 4.296 20 0 GIADRO Cc1noc(C2CC[NH+](Cc3cc(=O)oc4cc(C)c(C(C)C)cc34)CC2)n1 ZINC000054678979 822905343 /nfs/dbraw/zinc/90/53/43/822905343.db2.gz FIDHEXKUCHORRH-UHFFFAOYSA-N 1 0 381.476 4.296 20 0 GIADRO Cc1ncsc1/C=C/C(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000186501540 822905573 /nfs/dbraw/zinc/90/55/73/822905573.db2.gz CTGAASKXMVCOBG-CMDGGOBGSA-N 1 0 397.466 4.074 20 0 GIADRO CCC(CC)(CNC(=O)NC1CC[NH+](Cc2ccncc2)CC1)c1ccccc1 ZINC000175216366 822906572 /nfs/dbraw/zinc/90/65/72/822906572.db2.gz KGOYKYDWYYEONA-UHFFFAOYSA-N 1 0 394.563 4.103 20 0 GIADRO O=C(Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1)c1csc(C2CCCCC2)n1 ZINC000569318033 822906718 /nfs/dbraw/zinc/90/67/18/822906718.db2.gz DTRSUURUZGPQJM-GOSISDBHSA-N 1 0 385.533 4.010 20 0 GIADRO Cc1cc(C(=O)OC(C)(C)C)cc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000457688320 822906831 /nfs/dbraw/zinc/90/68/31/822906831.db2.gz VBGKPTSTNGIKKF-LAUBAEHRSA-N 1 0 398.547 4.039 20 0 GIADRO O=C(Cc1ccccc1OC1CCCC1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000457690341 822907218 /nfs/dbraw/zinc/90/72/18/822907218.db2.gz XIXZTUZAMSEACR-DENIHFKCSA-N 1 0 382.548 4.026 20 0 GIADRO CC[C@H](CC(F)F)C(=O)N[C@@H]1CCN(CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000457697604 822908056 /nfs/dbraw/zinc/90/80/56/822908056.db2.gz FRYZRPWQFTYLQA-JGFGOQIWSA-N 1 0 376.850 4.412 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)N[C@@H](C)c1ccc(C)s1)[NH+]1CCCC1 ZINC000054732366 822908778 /nfs/dbraw/zinc/90/87/78/822908778.db2.gz VEQPDPGHTCVGNJ-WMZOPIPTSA-N 1 0 387.549 4.262 20 0 GIADRO C[C@@H](NC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccc2n[nH]cc2c1 ZINC000569339661 822909323 /nfs/dbraw/zinc/90/93/23/822909323.db2.gz JCOLOVNPAPJJPS-SJORKVTESA-N 1 0 391.519 4.149 20 0 GIADRO CC[C@H](C)[NH2+][C@H](CNC(=O)C[C@@H]1CCCc2cc(OC)ccc21)c1ccco1 ZINC000569349218 822910318 /nfs/dbraw/zinc/91/03/18/822910318.db2.gz HWFPYABUWNLIAZ-DJPFJPOOSA-N 1 0 384.520 4.344 20 0 GIADRO COc1cncc(/C=C/CC[NH2+][C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)c1 ZINC000569357739 822910938 /nfs/dbraw/zinc/91/09/38/822910938.db2.gz ZXYRALBJDXXYDU-CSPWOOARSA-N 1 0 382.439 4.342 20 0 GIADRO CC(C)c1cccc(CC(=O)N2CCC[C@H]([N@H+](C)Cc3ccccn3)CC2)c1 ZINC000457728111 822911499 /nfs/dbraw/zinc/91/14/99/822911499.db2.gz JJPPUDMXDHABFL-QHCPKHFHSA-N 1 0 379.548 4.261 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCC1)N[C@H]1CCCOc2ccc(F)cc21 ZINC000054784878 822913087 /nfs/dbraw/zinc/91/30/87/822913087.db2.gz DHQFVYHQYKGBFZ-NRFANRHFSA-N 1 0 397.494 4.135 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3csc(-c4ncccn4)n3)cc2)C1 ZINC000054794203 822913555 /nfs/dbraw/zinc/91/35/55/822913555.db2.gz WVVFBYABVIDBKK-HNNXBMFYSA-N 1 0 393.516 4.084 20 0 GIADRO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)N1C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000457753134 822914765 /nfs/dbraw/zinc/91/47/65/822914765.db2.gz XGEDOUPJCYKKPP-TWMKSMIVSA-N 1 0 377.495 4.402 20 0 GIADRO Cc1cc(Br)c(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000457754349 822915085 /nfs/dbraw/zinc/91/50/85/822915085.db2.gz PHWCEVAEWVEOJX-LRDDRELGSA-N 1 0 393.350 4.069 20 0 GIADRO CN(C)[C@@H](C[NH2+]C1CCN(c2nccs2)CC1)c1cccc(C(F)(F)F)c1 ZINC000186570253 822915203 /nfs/dbraw/zinc/91/52/03/822915203.db2.gz XLRYDOSWCGAAPG-KRWDZBQOSA-N 1 0 398.498 4.023 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@H](CN(C)Cc2ccccc2)C(C)C)cc1NC(C)=O ZINC000186573910 822915818 /nfs/dbraw/zinc/91/58/18/822915818.db2.gz XWTASZKGPOXDHL-FDDCHVKYSA-N 1 0 397.563 4.461 20 0 GIADRO COc1cc(-c2noc([C@H]3CC[C@@H](C(F)(F)F)C3)n2)ccc1OCC[NH+](C)C ZINC000569408351 822918081 /nfs/dbraw/zinc/91/80/81/822918081.db2.gz IUIUDUQAETYUQL-UONOGXRCSA-N 1 0 399.413 4.132 20 0 GIADRO O=C(c1cc(F)cc(C(F)(F)F)c1)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000186586859 822918146 /nfs/dbraw/zinc/91/81/46/822918146.db2.gz WYUDVHODGKAEIQ-GOSISDBHSA-N 1 0 395.400 4.024 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)c1 ZINC000457781885 822918739 /nfs/dbraw/zinc/91/87/39/822918739.db2.gz YNMDGAVCSOLZRG-OAQYLSRUSA-N 1 0 391.519 4.061 20 0 GIADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N[C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000457790500 822919450 /nfs/dbraw/zinc/91/94/50/822919450.db2.gz QHCXZYZUSQBLRV-MTFMMBMASA-N 1 0 375.944 4.292 20 0 GIADRO O=C(N[C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000457790505 822919532 /nfs/dbraw/zinc/91/95/32/822919532.db2.gz QHCXZYZUSQBLRV-OJAHFUOMSA-N 1 0 375.944 4.292 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(F)c(F)c(F)c1F ZINC000175268416 822920121 /nfs/dbraw/zinc/92/01/21/822920121.db2.gz VMUOHZHEMOYMCE-OAHLLOKOSA-N 1 0 394.412 4.227 20 0 GIADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2ccc(OC(C)C)cc2Cl)cc1 ZINC000457798239 822920404 /nfs/dbraw/zinc/92/04/04/822920404.db2.gz VLXMJNHDCRHZSC-HXUWFJFHSA-N 1 0 390.911 4.169 20 0 GIADRO Cc1cccc(-c2nnc(N3CCC[C@H](C[N@@H+]4CCCC[C@@H]4C)C3)n2C(C)C)n1 ZINC000569428067 822921534 /nfs/dbraw/zinc/92/15/34/822921534.db2.gz BWSSRBYYPBEJDA-VQTJNVASSA-N 1 0 396.583 4.320 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@H]1OCCc2ccccc21 ZINC000175276966 822922165 /nfs/dbraw/zinc/92/21/65/822922165.db2.gz JUERLGXENQTFPG-XUZZJYLKSA-N 1 0 392.543 4.061 20 0 GIADRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)c1cc3cccnc3s1)c1ccccc1O2 ZINC000569435002 822922762 /nfs/dbraw/zinc/92/27/62/822922762.db2.gz ROVRVMUAXMRXDZ-QGZVFWFLSA-N 1 0 393.512 4.014 20 0 GIADRO Cc1cc(C)c(NC(=S)NC2CC[NH+](Cc3ccncc3)CC2)c(Cl)c1 ZINC000054941325 822923303 /nfs/dbraw/zinc/92/33/03/822923303.db2.gz VZKDZJGRUWVFIR-UHFFFAOYSA-N 1 0 388.968 4.303 20 0 GIADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)Cc2cccc(OCc3cccc(Cl)c3)c2)C1 ZINC000569449112 822924922 /nfs/dbraw/zinc/92/49/22/822924922.db2.gz OEWCZDUTBRUYLK-FXAWDEMLSA-N 1 0 386.923 4.095 20 0 GIADRO Cc1cccn2c1nc(-c1ccccc1)c2NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000569452865 822925247 /nfs/dbraw/zinc/92/52/47/822925247.db2.gz RFBKSKPXPLKOGE-DFNIBXOVSA-N 1 0 389.503 4.056 20 0 GIADRO COc1ccc(C[C@@H]2CCC[N@@H+]([C@@H](C)c3nc(-c4cccnc4)no3)C2)cc1 ZINC000569467223 822926738 /nfs/dbraw/zinc/92/67/38/822926738.db2.gz ZHGSOTYDKOZRCO-WMZOPIPTSA-N 1 0 378.476 4.156 20 0 GIADRO Brc1ccc(-c2nccc(C[N@@H+]3CC[C@@H](c4ccncc4)C3)n2)cc1 ZINC000569468590 822926771 /nfs/dbraw/zinc/92/67/71/822926771.db2.gz GLLPSPUWDAFGPR-QGZVFWFLSA-N 1 0 395.304 4.291 20 0 GIADRO CC(C)c1ccc([C@@H](NC(=O)N2CCN(c3cc[nH+]cc3)CC2)C(C)C)cc1 ZINC000054973361 822926818 /nfs/dbraw/zinc/92/68/18/822926818.db2.gz NAMCWPVPXBWCTQ-QFIPXVFZSA-N 1 0 380.536 4.434 20 0 GIADRO COc1ccc2nc(C[N@@H+]3CCC[C@H](c4nnc5n4CCCCC5)C3)sc2c1 ZINC000186635640 822927239 /nfs/dbraw/zinc/92/72/39/822927239.db2.gz BKVJQBHPECRJFC-HNNXBMFYSA-N 1 0 397.548 4.002 20 0 GIADRO Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H](c2cnn(C)c2)c2ccc(F)cc2)c1C ZINC000186640118 822928071 /nfs/dbraw/zinc/92/80/71/822928071.db2.gz UOTZFCJNKCSUGE-HJPURHCSSA-N 1 0 394.494 4.272 20 0 GIADRO O=[N+]([O-])c1ccc(NC(=S)Nc2ccc(CC[NH+]3CCCCC3)cc2)cc1 ZINC000055005203 822930015 /nfs/dbraw/zinc/93/00/15/822930015.db2.gz OHJWZVGXEJPISA-UHFFFAOYSA-N 1 0 384.505 4.432 20 0 GIADRO COC(=O)C[C@@](C)([NH2+]Cc1cccc(C(F)(F)F)c1)c1cccc(OC)c1 ZINC000569499618 822930084 /nfs/dbraw/zinc/93/00/84/822930084.db2.gz KTCPZYLTKQIZOT-LJQANCHMSA-N 1 0 381.394 4.282 20 0 GIADRO COC[C@H]([NH2+]Cc1ccc(OCc2noc(C)n2)cc1)c1cccc(Cl)c1 ZINC000569499816 822930416 /nfs/dbraw/zinc/93/04/16/822930416.db2.gz ZURDECJOXVFGBH-IBGZPJMESA-N 1 0 387.867 4.088 20 0 GIADRO CC(C)NC(=S)C(C(=O)c1ccc(Cl)cc1)[n+]1ccc2c(c1)CCCC2 ZINC000055009560 822930527 /nfs/dbraw/zinc/93/05/27/822930527.db2.gz XHAHUFWBSOKKLH-UHFFFAOYSA-O 1 0 387.956 4.443 20 0 GIADRO OC[C@H]([NH2+]Cc1c(-c2ccc(Cl)cc2)nc2sccn12)C1CCCC1 ZINC000569511775 822932348 /nfs/dbraw/zinc/93/23/48/822932348.db2.gz ADKXBPXWJADECV-INIZCTEOSA-N 1 0 375.925 4.357 20 0 GIADRO OC[C@@H]([NH2+]Cc1c(-c2ccc(Cl)cc2)nc2sccn12)C1CCCC1 ZINC000569511776 822932368 /nfs/dbraw/zinc/93/23/68/822932368.db2.gz ADKXBPXWJADECV-MRXNPFEDSA-N 1 0 375.925 4.357 20 0 GIADRO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]Cc2cscc2C(F)(F)F)cc1 ZINC000569515377 822932887 /nfs/dbraw/zinc/93/28/87/822932887.db2.gz GNEJEJLEPYYDLB-GFCCVEGCSA-N 1 0 377.453 4.027 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1cc2cc(Cl)sc2[nH]1 ZINC000569517376 822933384 /nfs/dbraw/zinc/93/33/84/822933384.db2.gz DVJIWIRALCOSGV-UHFFFAOYSA-N 1 0 379.888 4.226 20 0 GIADRO O=C(Nc1cccc(-c2ccccc2)c1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000569520531 822933919 /nfs/dbraw/zinc/93/39/19/822933919.db2.gz JQCDULOYLDCKKO-XZOQPEGZSA-N 1 0 393.531 4.243 20 0 GIADRO COC(=O)c1sc2ccccc2c1C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000186672814 822934318 /nfs/dbraw/zinc/93/43/18/822934318.db2.gz HVMVVSMKSDTEAC-QFIPXVFZSA-N 1 0 379.481 4.319 20 0 GIADRO COc1ccccc1CN(C)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000055047668 822934699 /nfs/dbraw/zinc/93/46/99/822934699.db2.gz SHYHDXKMWZUGMQ-UHFFFAOYSA-N 1 0 381.520 4.023 20 0 GIADRO CC[NH+]1CCC(CNC(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)CC1 ZINC000569535685 822936267 /nfs/dbraw/zinc/93/62/67/822936267.db2.gz OBFUYHDENTVGKU-UHFFFAOYSA-N 1 0 386.540 4.059 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)cc1C(F)(F)F ZINC000186684890 822936854 /nfs/dbraw/zinc/93/68/54/822936854.db2.gz TVFMDZMJOVAXTB-UHFFFAOYSA-N 1 0 397.828 4.400 20 0 GIADRO CCOC(=O)C[C@@](C)([NH2+]Cc1csc(-c2ccccc2OC)n1)C(C)C ZINC000186699399 822940093 /nfs/dbraw/zinc/94/00/93/822940093.db2.gz BQZSKNXNSCVQAB-HXUWFJFHSA-N 1 0 376.522 4.276 20 0 GIADRO CCOc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1ccc(OC)c(NC(C)=O)c1)CCO2 ZINC000186700560 822940408 /nfs/dbraw/zinc/94/04/08/822940408.db2.gz HNIJNFSCLYBCLB-IFXJQAMLSA-N 1 0 384.476 4.227 20 0 GIADRO CC(C)Oc1ccccc1[C@@H](C)[NH2+][C@@H](C)C(=O)NC(=O)Nc1ccccc1F ZINC000055151738 822940958 /nfs/dbraw/zinc/94/09/58/822940958.db2.gz WMTZTBUJLQJRIY-CABCVRRESA-N 1 0 387.455 4.000 20 0 GIADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl ZINC000186705680 822941356 /nfs/dbraw/zinc/94/13/56/822941356.db2.gz YPPUVTKNTWZZFY-KCJUWKMLSA-N 1 0 376.831 4.301 20 0 GIADRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCCS3(=O)=O)c(F)c2)c2ccccc21 ZINC000186706252 822941373 /nfs/dbraw/zinc/94/13/73/822941373.db2.gz SVTQFDPUOCCDAP-QRWLVFNGSA-N 1 0 388.508 4.094 20 0 GIADRO C[C@@H]1CN(c2ccc(C[NH2+]Cc3ccc(F)c(-c4cccs4)c3)cn2)CCO1 ZINC000055171375 822943248 /nfs/dbraw/zinc/94/32/48/822943248.db2.gz LRFALFOAWYKEJB-MRXNPFEDSA-N 1 0 397.519 4.464 20 0 GIADRO Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000055177808 822943445 /nfs/dbraw/zinc/94/34/45/822943445.db2.gz DZNSTPYEZVDCTQ-OAHLLOKOSA-N 1 0 379.570 4.035 20 0 GIADRO CN(CC[N@H+](C)C1CC1)C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 ZINC000186716551 822943677 /nfs/dbraw/zinc/94/36/77/822943677.db2.gz HSGJBRKEHPRLBD-UHFFFAOYSA-N 1 0 384.332 4.283 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1c(F)cccc1Br)c1ccccc1 ZINC000175355726 822943850 /nfs/dbraw/zinc/94/38/50/822943850.db2.gz OVHXJMUKIWKHIX-QGZVFWFLSA-N 1 0 393.300 4.401 20 0 GIADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)c2cccc(Cl)c2F)[C@H](C)C1 ZINC000186719732 822944149 /nfs/dbraw/zinc/94/41/49/822944149.db2.gz ISEVQGCCPWWCQV-QAPCUYQASA-N 1 0 398.950 4.010 20 0 GIADRO COc1cc(C)c(NC(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1F ZINC000186719745 822944179 /nfs/dbraw/zinc/94/41/79/822944179.db2.gz JGFQFVWXQIOEJM-QGZVFWFLSA-N 1 0 377.504 4.119 20 0 GIADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)c2cccc(Cl)c2F)[C@H](C)C1 ZINC000186719753 822944213 /nfs/dbraw/zinc/94/42/13/822944213.db2.gz ISEVQGCCPWWCQV-CRAIPNDOSA-N 1 0 398.950 4.010 20 0 GIADRO COc1ccc(C[C@H](C)C[NH+]2CCC(NC(=O)CC3CCCC3)CC2)cc1F ZINC000186721940 822944453 /nfs/dbraw/zinc/94/44/53/822944453.db2.gz JQHZWGIMQDDVPE-KRWDZBQOSA-N 1 0 390.543 4.174 20 0 GIADRO CCOc1ccc(NC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C)c1 ZINC000175360964 822946179 /nfs/dbraw/zinc/94/61/79/822946179.db2.gz KMJJAZPITNPFCN-FQEVSTJZSA-N 1 0 381.520 4.380 20 0 GIADRO O=C(NCc1ccc(F)c(F)c1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000457973836 822946386 /nfs/dbraw/zinc/94/63/86/822946386.db2.gz AKHKUBWXUKWZJL-UHFFFAOYSA-N 1 0 399.485 4.163 20 0 GIADRO Cc1ccc([C@@H](CCn2cncn2)[NH2+]Cc2ccc(OC(F)F)c(F)c2)cc1 ZINC000569632411 822947555 /nfs/dbraw/zinc/94/75/55/822947555.db2.gz QRCHYTAMEMALRM-GOSISDBHSA-N 1 0 390.409 4.248 20 0 GIADRO COc1cc(-c2noc([C@@H]3[C@H](C)[C@@H]3c3ccccc3)n2)ccc1OCC[NH+](C)C ZINC000569645910 822949564 /nfs/dbraw/zinc/94/95/64/822949564.db2.gz FWWORMCNPYJCNZ-IPHXSNPTSA-N 1 0 393.487 4.203 20 0 GIADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H](C)c1nccs1 ZINC000186754191 822950262 /nfs/dbraw/zinc/95/02/62/822950262.db2.gz MFGWEMKZYNUFPP-RYUDHWBXSA-N 1 0 382.327 4.016 20 0 GIADRO C[NH+](C)CCOc1ccccc1-c1noc([C@]2(C)CCc3ccccc3C2)n1 ZINC000569655639 822950953 /nfs/dbraw/zinc/95/09/53/822950953.db2.gz VNUWKHSYQSOOFX-HSZRJFAPSA-N 1 0 377.488 4.124 20 0 GIADRO CC[NH+](CC)[C@H](C(=O)NC1CCC(OC)CC1)c1cccc(C(F)(F)F)c1 ZINC000458056196 822954204 /nfs/dbraw/zinc/95/42/04/822954204.db2.gz DBIVXQJRAHLKSP-ABHNRTSZSA-N 1 0 386.458 4.162 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H](C(F)(F)F)C[C@H]1C)c1ccco1 ZINC000458063532 822954914 /nfs/dbraw/zinc/95/49/14/822954914.db2.gz FXIJIGRYVISBET-RBSFLKMASA-N 1 0 375.435 4.035 20 0 GIADRO Cc1ccc(Nc2ccccc2C(=O)N2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1 ZINC000569685496 822955104 /nfs/dbraw/zinc/95/51/04/822955104.db2.gz UVEMXKSOLLAHCL-XXBNENTESA-N 1 0 393.531 4.097 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)OCO2)C(=O)Nc1ccc(Cl)cc1Cl ZINC000055374900 822955897 /nfs/dbraw/zinc/95/58/97/822955897.db2.gz SNHBZOUGGJNWJN-QWRGUYRKSA-N 1 0 381.259 4.400 20 0 GIADRO CC1(C)CN(C(=O)c2ccc(Oc3cccc(Cl)c3Cl)nc2)CC[NH2+]1 ZINC000175389452 822956038 /nfs/dbraw/zinc/95/60/38/822956038.db2.gz KBJBTSGLHMHWNB-UHFFFAOYSA-N 1 0 380.275 4.005 20 0 GIADRO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000055375684 822956046 /nfs/dbraw/zinc/95/60/46/822956046.db2.gz YMFKXELKCGVJET-OLZOCXBDSA-N 1 0 390.867 4.064 20 0 GIADRO Cc1cc(C)c2[nH+]cc(C(=O)[O-])c(N3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)c2c1 ZINC000569696918 822956470 /nfs/dbraw/zinc/95/64/70/822956470.db2.gz FNIWYYOMDHWYHG-SFHVURJKSA-N 1 0 389.499 4.261 20 0 GIADRO C[C@@]1(NC(=O)NCC2CC[NH+](Cc3cccs3)CC2)C[C@H]1c1ccccc1 ZINC000458086246 822956553 /nfs/dbraw/zinc/95/65/53/822956553.db2.gz ASPSNBYTPQPIFT-RBBKRZOGSA-N 1 0 383.561 4.206 20 0 GIADRO CC(C)[N@@H+](Cc1ccc(NC(=O)[C@H](C)Cc2c[nH]cn2)cc1)C[C@@H]1CCCCO1 ZINC000569705985 822957265 /nfs/dbraw/zinc/95/72/65/822957265.db2.gz CMLWLKVWHRJOTG-GCJKJVERSA-N 1 0 398.551 4.007 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)N2CC(C)(CC(F)(F)F)C2)[NH+]2CCCC2)cc1 ZINC000458092501 822957566 /nfs/dbraw/zinc/95/75/66/822957566.db2.gz ALKAVODKRIJOEI-QGZVFWFLSA-N 1 0 383.458 4.116 20 0 GIADRO Cc1ccc(NC(=O)[C@H](C)[NH2+]C2(Cc3ccc(F)cc3)CCOCC2)c(C)c1 ZINC000569712265 822958130 /nfs/dbraw/zinc/95/81/30/822958130.db2.gz AKWCBXNURXUJEH-SFHVURJKSA-N 1 0 384.495 4.151 20 0 GIADRO Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[N@@H+]1CCSC2(CCOCC2)C1 ZINC000186808636 822958741 /nfs/dbraw/zinc/95/87/41/822958741.db2.gz PFXQJDAVCHBDFT-QGZVFWFLSA-N 1 0 376.566 4.043 20 0 GIADRO Cc1cc(NC(=O)NC2CC[NH+](C3CCCC3)CC2)ccc1OCC(F)(F)F ZINC000175398966 822959236 /nfs/dbraw/zinc/95/92/36/822959236.db2.gz YWWQPXONTVYAOW-UHFFFAOYSA-N 1 0 399.457 4.465 20 0 GIADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)[C@@H]2CCCc3ccccc32)c1 ZINC000569730249 822959762 /nfs/dbraw/zinc/95/97/62/822959762.db2.gz LDPRVWXHDWMMFU-OAQYLSRUSA-N 1 0 379.504 4.026 20 0 GIADRO COc1ccc(-c2nc(-c3ccc(OCC[NH+](C)C)cc3)no2)cc1C1CC1 ZINC000569737295 822961116 /nfs/dbraw/zinc/96/11/16/822961116.db2.gz BJNILCCNMWVKJS-UHFFFAOYSA-N 1 0 379.460 4.230 20 0 GIADRO CC(C)C[C@H]1OCCC[C@@H]1[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000186823891 822961657 /nfs/dbraw/zinc/96/16/57/822961657.db2.gz IPRPRMUYCGOWSE-VQTJNVASSA-N 1 0 378.944 4.128 20 0 GIADRO CC[C@@]1(C[NH2+]Cc2ccc(OC(F)F)c(OC)c2)OCCc2ccccc21 ZINC000569746458 822962716 /nfs/dbraw/zinc/96/27/16/822962716.db2.gz PXLJQVAKMIEWAA-NRFANRHFSA-N 1 0 377.431 4.264 20 0 GIADRO Clc1ncc(C[NH2+]C2(c3ccc(Br)cc3)CCOCC2)s1 ZINC000175414233 822962922 /nfs/dbraw/zinc/96/29/22/822962922.db2.gz QQYFVNBHJHKOBL-UHFFFAOYSA-N 1 0 387.730 4.355 20 0 GIADRO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)C[C@H](O)COc1ccc2ccccc2c1 ZINC000175414668 822963287 /nfs/dbraw/zinc/96/32/87/822963287.db2.gz OKBPBNLXKRJDIY-SSVXIMEWSA-N 1 0 397.540 4.010 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)N2CC(C)(C)[C@@H]2c2ccncc2)[NH+]2CCCC2)cc1 ZINC000458158583 822963563 /nfs/dbraw/zinc/96/35/63/822963563.db2.gz VRMREIZYRRJGRU-YADHBBJMSA-N 1 0 392.547 4.320 20 0 GIADRO CC[N@H+](Cc1cnc(-c2cnn(C)c2)nc1)C(c1ccccc1)c1ccccc1 ZINC000569757939 822964416 /nfs/dbraw/zinc/96/44/16/822964416.db2.gz CHXKQMZINGQFHF-UHFFFAOYSA-N 1 0 383.499 4.489 20 0 GIADRO C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1CCSC2(CCOCC2)C1 ZINC000186839822 822964972 /nfs/dbraw/zinc/96/49/72/822964972.db2.gz IPZCXPNBZOFGBW-CYBMUJFWSA-N 1 0 379.913 4.049 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](c1ccccc1)C(F)(F)F)c1ccc(NS(C)(=O)=O)cc1 ZINC000186839286 822964998 /nfs/dbraw/zinc/96/49/98/822964998.db2.gz WNCVEIRJCVVLDH-DYVFJYSZSA-N 1 0 386.439 4.055 20 0 GIADRO C[C@H]([NH2+]C[C@H](c1ccccc1)C(F)(F)F)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000186839965 822965296 /nfs/dbraw/zinc/96/52/96/822965296.db2.gz NEIGDGZIHLECSW-SWLSCSKDSA-N 1 0 389.414 4.226 20 0 GIADRO CC(C)c1noc2nc(-c3ccco3)cc(C(=O)NCC[C@H]3CCC[N@H+](C)C3)c21 ZINC000458175239 822965375 /nfs/dbraw/zinc/96/53/75/822965375.db2.gz SQCQGHPTTFAWBX-OAHLLOKOSA-N 1 0 396.491 4.068 20 0 GIADRO Cc1noc(C)c1CSc1ccccc1C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000458179313 822965827 /nfs/dbraw/zinc/96/58/27/822965827.db2.gz XSVSJMPEZBKWGI-QGZVFWFLSA-N 1 0 387.549 4.045 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)N(C)Cc2cc3ccccc3o2)[NH+]2CCCC2)o1 ZINC000175431745 822966956 /nfs/dbraw/zinc/96/69/56/822966956.db2.gz GGPRDBIQEPXMOF-LJQANCHMSA-N 1 0 381.476 4.313 20 0 GIADRO COc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H](c1ccccc1)C(F)(F)F ZINC000186847706 822967018 /nfs/dbraw/zinc/96/70/18/822967018.db2.gz KTLIDTZAZYOUSZ-HOCLYGCPSA-N 1 0 380.410 4.348 20 0 GIADRO COCc1c2ccccc2oc1C(=O)Nc1ccc(OCC[NH+](C)C)c(C)c1 ZINC000458193782 822967208 /nfs/dbraw/zinc/96/72/08/822967208.db2.gz JLRJAZLTSMZKRA-UHFFFAOYSA-N 1 0 382.460 4.080 20 0 GIADRO Cc1cc(NC(=O)CCc2nc3ccccc3s2)ccc1OCC[NH+](C)C ZINC000458194499 822967403 /nfs/dbraw/zinc/96/74/03/822967403.db2.gz GUAYMKPBFYHQPA-UHFFFAOYSA-N 1 0 383.517 4.116 20 0 GIADRO COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H](c2ccccc2)C(F)(F)F)cc1 ZINC000186849949 822967592 /nfs/dbraw/zinc/96/75/92/822967592.db2.gz YMRAKISVJABHDY-KBXCAEBGSA-N 1 0 380.410 4.348 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cnn(-c2ccc(C)cc2)c1C(C)C ZINC000569780572 822967930 /nfs/dbraw/zinc/96/79/30/822967930.db2.gz PSMSZOZAUJAIPY-QUCCMNQESA-N 1 0 395.551 4.395 20 0 GIADRO CC(C)C(=O)c1ccc([C@@H](C)C(=O)N(CC[NH+](C)C)Cc2ccsc2)cc1 ZINC000458219670 822970377 /nfs/dbraw/zinc/97/03/77/822970377.db2.gz IORXXRHYPMSERH-QGZVFWFLSA-N 1 0 386.561 4.281 20 0 GIADRO O=C(Nc1ccc(Cl)cc1OCC(F)(F)F)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000569811596 822971673 /nfs/dbraw/zinc/97/16/73/822971673.db2.gz JJVJGBCACVFMLR-CQSZACIVSA-N 1 0 384.785 4.107 20 0 GIADRO c1ccc(-c2noc([C@H](c3ccccc3)N3CC[C@H](C[NH+]4CCCC4)C3)n2)cc1 ZINC000175451985 822972276 /nfs/dbraw/zinc/97/22/76/822972276.db2.gz HRXFEZVDWMUBRO-KNQAVFIVSA-N 1 0 388.515 4.244 20 0 GIADRO Cc1cc(NC(=O)Cc2csc(-c3ccccc3)n2)ccc1OCC[NH+](C)C ZINC000458238635 822972646 /nfs/dbraw/zinc/97/26/46/822972646.db2.gz YNONAZWNAZGIOP-UHFFFAOYSA-N 1 0 395.528 4.240 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](C1CC1)N(C)Cc1ccccc1)c1cccc(N2CCOC2=O)c1 ZINC000186876748 822972901 /nfs/dbraw/zinc/97/29/01/822972901.db2.gz WUSDHPIZGRHXKQ-JPYJTQIMSA-N 1 0 393.531 4.204 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1sc([C@H](C)OC)nc1C ZINC000175455627 822973393 /nfs/dbraw/zinc/97/33/93/822973393.db2.gz PZKNJJQWTGGUFD-HNNXBMFYSA-N 1 0 391.537 4.132 20 0 GIADRO CCCC[C@H]1CCC[C@@H]1NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458260635 822974779 /nfs/dbraw/zinc/97/47/79/822974779.db2.gz WKEUFWFPAQABIP-RDJZCZTQSA-N 1 0 377.495 4.404 20 0 GIADRO COc1cc(NC(=O)CC[NH2+][C@H]2CCCc3sccc32)c(OC)cc1Cl ZINC000569838713 822974726 /nfs/dbraw/zinc/97/47/26/822974726.db2.gz MCMBKSROHKURIB-AWEZNQCLSA-N 1 0 394.924 4.415 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000458261385 822975078 /nfs/dbraw/zinc/97/50/78/822975078.db2.gz JCSNCPIJFGBSGO-ZDUSSCGKSA-N 1 0 396.457 4.174 20 0 GIADRO Cc1nccn1CCCCNC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000175462597 822975017 /nfs/dbraw/zinc/97/50/17/822975017.db2.gz QLLRVHQMUAEUHZ-UHFFFAOYSA-N 1 0 394.441 4.365 20 0 GIADRO Cc1noc(C)c1CSc1ccccc1C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000055538330 822976036 /nfs/dbraw/zinc/97/60/36/822976036.db2.gz UUVMIJGVNLVCTR-HNNXBMFYSA-N 1 0 387.549 4.045 20 0 GIADRO C[C@@H](C(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1ccc(Cl)s1 ZINC000175472367 822977181 /nfs/dbraw/zinc/97/71/81/822977181.db2.gz OFPFGBCBBJNMCZ-OAHLLOKOSA-N 1 0 376.953 4.328 20 0 GIADRO C[NH+](C)CC(C)(C)CNC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000055551188 822977448 /nfs/dbraw/zinc/97/74/48/822977448.db2.gz UXALXJURZBJDNJ-UHFFFAOYSA-N 1 0 377.488 4.326 20 0 GIADRO Cc1c(C(=O)Nc2ccc(OCC[NH+](C)C)c(F)c2)sc2nccc(C)c12 ZINC000458280944 822977596 /nfs/dbraw/zinc/97/75/96/822977596.db2.gz ATFHYZAOLYGSSP-UHFFFAOYSA-N 1 0 387.480 4.245 20 0 GIADRO C[C@H](CC(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1)c1c[nH]c2ccccc21 ZINC000458281099 822977598 /nfs/dbraw/zinc/97/75/98/822977598.db2.gz HIOKFXBKOBVYER-OAHLLOKOSA-N 1 0 383.467 4.380 20 0 GIADRO C[C@H](NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ncc(Br)cc1F ZINC000186907214 822977762 /nfs/dbraw/zinc/97/77/62/822977762.db2.gz BGGBCXPPBRRPTH-KSSFIOAISA-N 1 0 392.316 4.471 20 0 GIADRO C[C@@H](NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ncc(Br)cc1F ZINC000186907230 822978079 /nfs/dbraw/zinc/97/80/79/822978079.db2.gz BGGBCXPPBRRPTH-KDOFPFPSSA-N 1 0 392.316 4.471 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)[C@H]2CC=CCC2)CC1 ZINC000569868170 822978483 /nfs/dbraw/zinc/97/84/83/822978483.db2.gz BBFWAGARZBRBMA-INIZCTEOSA-N 1 0 391.353 4.228 20 0 GIADRO COc1ccc(C[NH2+][C@H](C)c2cc(Br)cc(C)c2O)cc1OC ZINC000186911626 822978612 /nfs/dbraw/zinc/97/86/12/822978612.db2.gz UFMPPSLUZRAKTH-GFCCVEGCSA-N 1 0 380.282 4.331 20 0 GIADRO COc1cc(C[NH2+]CC[C@H](c2ccccc2)C(F)(F)F)cc2c1OCCO2 ZINC000569871450 822978912 /nfs/dbraw/zinc/97/89/12/822978912.db2.gz VQGRRIKEHLPHIQ-MRXNPFEDSA-N 1 0 381.394 4.292 20 0 GIADRO C[C@H](C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1)c1cn(C)c2ccccc12 ZINC000458300561 822980284 /nfs/dbraw/zinc/98/02/84/822980284.db2.gz VCIKQAUWSXXRLT-HNNXBMFYSA-N 1 0 383.467 4.000 20 0 GIADRO Cc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3ccc(C[NH+](C)C)c(C)c3)n2)n1 ZINC000458306703 822981007 /nfs/dbraw/zinc/98/10/07/822981007.db2.gz BNCYUAURAHOUIT-UHFFFAOYSA-N 1 0 397.910 4.160 20 0 GIADRO Cc1cc2c(cc1C)[C@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1F)CCS2 ZINC000186925428 822981374 /nfs/dbraw/zinc/98/13/74/822981374.db2.gz UWHXVGFDRSAWJY-CQSZACIVSA-N 1 0 380.435 4.486 20 0 GIADRO COc1cc(NC(=O)CC[NH2+]Cc2cccc(Cl)c2)c(OC)cc1Cl ZINC000569893463 822981876 /nfs/dbraw/zinc/98/18/76/822981876.db2.gz RATQIFUPQGTJQF-UHFFFAOYSA-N 1 0 383.275 4.129 20 0 GIADRO Cc1cc(CSc2ncccc2C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)no1 ZINC000458311879 822982013 /nfs/dbraw/zinc/98/20/13/822982013.db2.gz HWKOTIIDWRPWPE-UHFFFAOYSA-N 1 0 396.516 4.293 20 0 GIADRO Cc1ccc(NC(=O)CS[C@H](C)C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)cc1 ZINC000458322742 822983294 /nfs/dbraw/zinc/98/32/94/822983294.db2.gz QXDQYBVDFWKNGX-QGZVFWFLSA-N 1 0 399.560 4.064 20 0 GIADRO CC1CC[NH+]([C@H](CNC(=O)[C@@H]2C[C@H]2c2cccc(O)c2)c2cccs2)CC1 ZINC000569906698 822984126 /nfs/dbraw/zinc/98/41/26/822984126.db2.gz MPJLKRNPVVMVSG-XUVXKRRUSA-N 1 0 384.545 4.147 20 0 GIADRO COc1cccc(OC)c1OCCCC[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000569915233 822985400 /nfs/dbraw/zinc/98/54/00/822985400.db2.gz FKRNVMFGWRKDFL-UHFFFAOYSA-N 1 0 383.410 4.412 20 0 GIADRO C[C@H](c1cccc(O)c1)N(C)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000175506765 822985803 /nfs/dbraw/zinc/98/58/03/822985803.db2.gz QBBYCCRDVUWMMZ-MDYRTPRTSA-N 1 0 387.549 4.239 20 0 GIADRO Cc1csc(C(C)(C)NC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)n1 ZINC000175510131 822987092 /nfs/dbraw/zinc/98/70/92/822987092.db2.gz ZGNOEHRFLUGGPT-HOCLYGCPSA-N 1 0 392.594 4.130 20 0 GIADRO CCCc1ncc(CNC(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)o1 ZINC000458366106 822987406 /nfs/dbraw/zinc/98/74/06/822987406.db2.gz GHLMUEMTMYYPDA-KRWDZBQOSA-N 1 0 384.524 4.090 20 0 GIADRO C[C@@H]1C[C@H]([N@H+](C)Cc2ccc3c(c2)CCC(=O)N3C)CCN1Cc1ccccc1 ZINC000186961672 822987818 /nfs/dbraw/zinc/98/78/18/822987818.db2.gz ZYFMEYLYFTUYDT-AUSIDOKSSA-N 1 0 391.559 4.081 20 0 GIADRO O=C(N[C@@H]1C[C@H]1c1ccccc1F)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000458370736 822988212 /nfs/dbraw/zinc/98/82/12/822988212.db2.gz GWVSEEIRXZLVSD-SGFOMYPESA-N 1 0 393.506 4.176 20 0 GIADRO COc1ccc(-c2nc(-c3nc(CC45CCC[NH+]4CCC5)no3)cs2)cc1 ZINC000569949178 822988768 /nfs/dbraw/zinc/98/87/68/822988768.db2.gz BWQBCPMYEZDTCV-UHFFFAOYSA-N 1 0 382.489 4.040 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)N2CC3(CC3)c3ccccc32)[C@@H]1c1cccs1 ZINC000175517173 822989203 /nfs/dbraw/zinc/98/92/03/822989203.db2.gz JYQJTHAINAJKGT-OXJNMPFZSA-N 1 0 381.545 4.392 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@H](Cc3ccccc3)C2)[C@@H]1c1cccs1 ZINC000175519353 822989854 /nfs/dbraw/zinc/98/98/54/822989854.db2.gz XHZFJACHABNLJK-KCZVDYSFSA-N 1 0 397.588 4.405 20 0 GIADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cc(Cl)ccc1SC(C)C ZINC000569965454 822990676 /nfs/dbraw/zinc/99/06/76/822990676.db2.gz ZAAPQUVMNDXDCJ-HNNXBMFYSA-N 1 0 385.961 4.073 20 0 GIADRO CC[N@@H+]1CCC[C@H]1CN(Cc1c[nH]nc1-c1ccsc1)Cc1ccncc1 ZINC000569969044 822991143 /nfs/dbraw/zinc/99/11/43/822991143.db2.gz QIYPKVVAHYKKFJ-FQEVSTJZSA-N 1 0 381.549 4.020 20 0 GIADRO C[C@H]1CCC[N@H+](CCCCNC(=O)N2CC[C@H](CSc3ccccc3)C2)C1 ZINC000175528427 822991421 /nfs/dbraw/zinc/99/14/21/822991421.db2.gz OOMJUINSDKFKFV-PMACEKPBSA-N 1 0 389.609 4.322 20 0 GIADRO CCOC(=O)[C@]1(CCS[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCCC1=O ZINC000569971044 822991441 /nfs/dbraw/zinc/99/14/41/822991441.db2.gz CHYKBMCYPBJIRF-KNQAVFIVSA-N 1 0 389.561 4.077 20 0 GIADRO Cc1cc(Br)cc([C@@H](C)[NH2+]Cc2ccnc(N3CCCC3)c2)c1O ZINC000186979720 822991511 /nfs/dbraw/zinc/99/15/11/822991511.db2.gz OWBUVILMSRCUMS-CQSZACIVSA-N 1 0 390.325 4.309 20 0 GIADRO CCOc1cc(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)cc(Cl)c1O ZINC000186983954 822992225 /nfs/dbraw/zinc/99/22/25/822992225.db2.gz YLOLUCZAMFEEHI-UHFFFAOYSA-N 1 0 388.895 4.335 20 0 GIADRO O=C(c1ccccc1)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000175531732 822992196 /nfs/dbraw/zinc/99/21/96/822992196.db2.gz RPFXUTOKHMQBBD-SFHVURJKSA-N 1 0 376.422 4.213 20 0 GIADRO O=C(c1ccc(F)cc1)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000175534949 822992757 /nfs/dbraw/zinc/99/27/57/822992757.db2.gz FCUIFVBUPKRZSL-QGZVFWFLSA-N 1 0 394.412 4.352 20 0 GIADRO Cc1ccc([C@@H]([NH2+]CCC2(F)CCC2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000569997613 822994690 /nfs/dbraw/zinc/99/46/90/822994690.db2.gz PDVKYYGAGPCRLO-HXUWFJFHSA-N 1 0 375.509 4.360 20 0 GIADRO COc1ccccc1[C@@H]1CCN(C(=O)N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)C1 ZINC000569998883 822994914 /nfs/dbraw/zinc/99/49/14/822994914.db2.gz IQTQSVZBLZIYCE-YYDVJCTNSA-N 1 0 395.547 4.194 20 0 GIADRO COc1cc(C[NH2+][C@H](C)Cc2ccc(C)s2)cc(OC)c1OCC(F)F ZINC000570002696 822995353 /nfs/dbraw/zinc/99/53/53/822995353.db2.gz CBEVGNVCAOPSPP-GFCCVEGCSA-N 1 0 385.476 4.438 20 0 GIADRO CSc1ccccc1S(=O)(=O)Nc1cc(C[NH+]2CCCC2)ccc1C ZINC000187006533 822996176 /nfs/dbraw/zinc/99/61/76/822996176.db2.gz WHOKSWLJUPHIIK-UHFFFAOYSA-N 1 0 376.547 4.114 20 0 GIADRO Cc1cc(Br)cc([C@H](C)[NH2+]Cc2ccc(-n3cccn3)cc2)c1O ZINC000187009909 822996950 /nfs/dbraw/zinc/99/69/50/822996950.db2.gz IEWDOUCBEWOFQU-AWEZNQCLSA-N 1 0 386.293 4.500 20 0 GIADRO C[C@@H]1CN(Cc2ccccc2NC(=O)c2ccc3c(c2)C(C)(C)CO3)C[C@H](C)O1 ZINC000570017995 822997441 /nfs/dbraw/zinc/99/74/41/822997441.db2.gz AJFSAXKLOOFOEV-CALCHBBNSA-N 1 0 394.515 4.218 20 0 GIADRO CCOCCC[N@@H+]1CC[C@@H](NCc2ncc(-c3cccc(Cl)c3)o2)[C@H](C)C1 ZINC000187014074 822997666 /nfs/dbraw/zinc/99/76/66/822997666.db2.gz AUKUAVCTDCERGZ-VQIMIIECSA-N 1 0 391.943 4.222 20 0 GIADRO CCCCCOc1ccc([C@H](C)[NH2+][C@@H](C)C2CCS(=O)(=O)CC2)cc1OC ZINC000187016506 822998123 /nfs/dbraw/zinc/99/81/23/822998123.db2.gz JPTRCCXENSUECX-IRXDYDNUSA-N 1 0 397.581 4.128 20 0 GIADRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)CCc1c2ccccc2[nH]c1-c1ccc(F)cc1 ZINC000570021980 822998245 /nfs/dbraw/zinc/99/82/45/822998245.db2.gz FSTDMDIDZVENDH-QAPCUYQASA-N 1 0 379.479 4.245 20 0 GIADRO COc1ccccc1-c1ncc(CNc2cccc3c2OCC[C@H]3[NH+](C)C)cn1 ZINC000570023690 822998439 /nfs/dbraw/zinc/99/84/39/822998439.db2.gz WKODRSFXPPIAAG-HXUWFJFHSA-N 1 0 390.487 4.150 20 0 GIADRO O=C(c1ccc(Oc2ccccc2)cn1)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000570031224 822999134 /nfs/dbraw/zinc/99/91/34/822999134.db2.gz URZGEFRCNDNJCX-IBGZPJMESA-N 1 0 385.467 4.499 20 0 GIADRO CCCOc1ccc(-c2nc(C(=O)N3CC4(C[C@H]3C)CC[NH2+]CC4)cs2)cc1 ZINC000570036426 822999885 /nfs/dbraw/zinc/99/98/85/822999885.db2.gz RQMUXNGRBUGCCB-MRXNPFEDSA-N 1 0 399.560 4.203 20 0 GIADRO Cc1cccc(COc2cccc(C(=O)N3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)c2)c1 ZINC000570041254 823000046 /nfs/dbraw/zinc/00/00/46/823000046.db2.gz PSCMEQWEPXPBOE-YADHBBJMSA-N 1 0 378.516 4.036 20 0 GIADRO Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@](C)(Cc2ccccc2)C2CC2)CC1 ZINC000570048661 823000632 /nfs/dbraw/zinc/00/06/32/823000632.db2.gz BXLSUJBJCNSMGJ-DEOSSOPVSA-N 1 0 377.532 4.134 20 0 GIADRO C[C@@]1(Cc2cccc(F)c2)CCCN1C(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000570047488 823000738 /nfs/dbraw/zinc/00/07/38/823000738.db2.gz WZIUWFZIWBUETI-QPPBQGQZSA-N 1 0 395.522 4.057 20 0 GIADRO C[C@H]([NH2+]CCCOCCc1ccccc1)c1ncc(Br)cc1F ZINC000187032848 823001117 /nfs/dbraw/zinc/00/11/17/823001117.db2.gz MKLIEDXFTCWPOS-AWEZNQCLSA-N 1 0 381.289 4.283 20 0 GIADRO Cc1cccc(Oc2ccccc2NC(=O)N2CC[NH+](C3CCOCC3)CC2)c1 ZINC000175580598 823001609 /nfs/dbraw/zinc/00/16/09/823001609.db2.gz LZKAXRUYTVBETO-UHFFFAOYSA-N 1 0 395.503 4.116 20 0 GIADRO C[C@@H](c1ccccc1Cl)N(C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2)C1CC1 ZINC000570064788 823002114 /nfs/dbraw/zinc/00/21/14/823002114.db2.gz UZLTUOHHHMNOJP-ZFWWWQNUSA-N 1 0 384.911 4.309 20 0 GIADRO Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+][C@H]2CCN(C)[C@@H](C)C2)C1 ZINC000570066587 823002334 /nfs/dbraw/zinc/00/23/34/823002334.db2.gz AIYAVDLKRGGHIK-WDSOQIARSA-N 1 0 394.401 4.107 20 0 GIADRO COc1ccc([C@H]2CCN(C(=O)N[C@@H](C[NH3+])c3ccc4ccccc4c3)C2)cc1 ZINC000570068217 823002876 /nfs/dbraw/zinc/00/28/76/823002876.db2.gz CLZZEBHBSKJCKG-GMAHTHKFSA-N 1 0 389.499 4.047 20 0 GIADRO CCCN(CC[NH+]1CCCCC1)C(=O)Nc1ccc(-c2nnc(CC)o2)cc1 ZINC000570069901 823003090 /nfs/dbraw/zinc/00/30/90/823003090.db2.gz VAQOSIGYHWAQRA-UHFFFAOYSA-N 1 0 385.512 4.029 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1)c1nnc(-c2cccs2)o1 ZINC000570086661 823004709 /nfs/dbraw/zinc/00/47/09/823004709.db2.gz BOFBWUOURINVEO-CXMBCZLWSA-N 1 0 390.459 4.172 20 0 GIADRO C[C@H]([NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1)c1ncc(Br)cc1F ZINC000187057286 823004934 /nfs/dbraw/zinc/00/49/34/823004934.db2.gz JTGUGGFEONSIDP-STQMWFEESA-N 1 0 396.279 4.299 20 0 GIADRO COc1ccc(-c2noc(C[N@@H+]3CC[C@H](c4ccccc4)[C@@H]3C)n2)c(OC)c1 ZINC000175605234 823005423 /nfs/dbraw/zinc/00/54/23/823005423.db2.gz WKNXPMDEEIBMMS-YJBOKZPZSA-N 1 0 379.460 4.132 20 0 GIADRO Cc1cc(NC(=O)[C@@H]2C[C@H]2C2CCC2)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000570098170 823005774 /nfs/dbraw/zinc/00/57/74/823005774.db2.gz OUPGDYJDKNRCBP-PCCBWWKXSA-N 1 0 378.520 4.013 20 0 GIADRO C[C@H]([NH2+][C@@H](c1cc2ccccc2o1)c1ccccc1)C1CCS(=O)(=O)CC1 ZINC000187085627 823008567 /nfs/dbraw/zinc/00/85/67/823008567.db2.gz UZEUHAQBHXRRLU-KSFYIVLOSA-N 1 0 383.513 4.325 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)N(C)CCc2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000175631416 823009860 /nfs/dbraw/zinc/00/98/60/823009860.db2.gz TWVWHXJEWCMMDV-GCJKJVERSA-N 1 0 383.511 4.063 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)N(C)Cc2ccc(F)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000175634929 823010370 /nfs/dbraw/zinc/01/03/70/823010370.db2.gz KVQGDKZWSBAFBR-APWZRJJASA-N 1 0 387.474 4.159 20 0 GIADRO O=C(CC1(C(F)(F)F)CC1)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000570149370 823010564 /nfs/dbraw/zinc/01/05/64/823010564.db2.gz LAMGQCBDQNRLSI-UHFFFAOYSA-N 1 0 380.454 4.234 20 0 GIADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CCCO[C@H](C)c1ccccc1 ZINC000187103925 823010895 /nfs/dbraw/zinc/01/08/95/823010895.db2.gz MBBHBJPDDLYSQY-MRXNPFEDSA-N 1 0 395.952 4.391 20 0 GIADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)Nc1ccc(F)c(OC)c1 ZINC000187102830 823010996 /nfs/dbraw/zinc/01/09/96/823010996.db2.gz CLIFKZJAOBDTPE-UHFFFAOYSA-N 1 0 379.501 4.272 20 0 GIADRO C[C@H]1C[C@@H](NC(=O)N(Cc2cccs2)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000175638208 823011028 /nfs/dbraw/zinc/01/10/28/823011028.db2.gz DIHHDAKWVNFOJU-HKUYNNGSSA-N 1 0 383.561 4.475 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)N2CCCC[C@@H]2c2cccn2C)CC[N@@H+]1Cc1ccccc1 ZINC000175639154 823011194 /nfs/dbraw/zinc/01/11/94/823011194.db2.gz JTVZFSPHLHGEOC-KJXAQDMKSA-N 1 0 394.563 4.315 20 0 GIADRO CCC(CC)(NC(=O)COC1CCC([NH3+])CC1)c1ccc(Cl)c(Cl)c1 ZINC000570163960 823011443 /nfs/dbraw/zinc/01/14/43/823011443.db2.gz GBFWKDKJSZNTHL-UHFFFAOYSA-N 1 0 387.351 4.411 20 0 GIADRO Cc1cc(Br)cc([C@@H](C)[NH2+]Cc2ccccc2-n2cccn2)c1O ZINC000187111885 823012076 /nfs/dbraw/zinc/01/20/76/823012076.db2.gz SZTOJAZAEPVJRU-CQSZACIVSA-N 1 0 386.293 4.500 20 0 GIADRO Cc1ccc(-c2c[nH]cc2C(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)s1 ZINC000187112787 823012291 /nfs/dbraw/zinc/01/22/91/823012291.db2.gz NLNBVLHBVFPATF-MRXNPFEDSA-N 1 0 394.544 4.402 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Cc1noc2ccc(F)cc21 ZINC000570183476 823013096 /nfs/dbraw/zinc/01/30/96/823013096.db2.gz ORQHDJWOJWQFEV-INIZCTEOSA-N 1 0 395.478 4.200 20 0 GIADRO O=C(Nc1ccc2c(c1)C[NH2+]C2)N[C@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000570184611 823013274 /nfs/dbraw/zinc/01/32/74/823013274.db2.gz NOPUTOGEMLBUAB-SFHVURJKSA-N 1 0 391.393 4.461 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)CCc1ncc(C(C)(C)C)o1 ZINC000187118927 823013374 /nfs/dbraw/zinc/01/33/74/823013374.db2.gz YUKKBIOJZUNYSE-SFHVURJKSA-N 1 0 383.536 4.028 20 0 GIADRO CCc1ccc(-c2nc(C[NH2+][C@H]3CCO[C@@H]3c3c(C)nn(C)c3C)cs2)cc1 ZINC000570199190 823014657 /nfs/dbraw/zinc/01/46/57/823014657.db2.gz QDOVQHUQFACHFX-FPOVZHCZSA-N 1 0 396.560 4.343 20 0 GIADRO Cc1ccc([C@H](C[NH2+][C@H](C)c2ncc(Br)cc2F)N2CCCC2)o1 ZINC000187132985 823015571 /nfs/dbraw/zinc/01/55/71/823015571.db2.gz IDHXALRXTWKHAG-CJNGLKHVSA-N 1 0 396.304 4.372 20 0 GIADRO COC1CC[NH+](C(C)(C)CNC(=O)Nc2cc(Cl)ccc2OC(C)C)CC1 ZINC000570210161 823015586 /nfs/dbraw/zinc/01/55/86/823015586.db2.gz ZRTZBUUTNKDDHR-UHFFFAOYSA-N 1 0 397.947 4.138 20 0 GIADRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1csc(-c2ccccc2F)n1 ZINC000175665132 823015758 /nfs/dbraw/zinc/01/57/58/823015758.db2.gz KUBGHYWSEUPUAQ-UHFFFAOYSA-N 1 0 389.521 4.215 20 0 GIADRO O=C(NC1CC[NH+](Cc2cccnc2)CC1)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000175670405 823016900 /nfs/dbraw/zinc/01/69/00/823016900.db2.gz HQDCKOGCVIELGZ-DNQXCXABSA-N 1 0 385.511 4.119 20 0 GIADRO CN1CCCc2cc(NC(=O)NC[C@@H]3CCC[N@H+](C)[C@@H]3c3cccs3)ccc21 ZINC000175674138 823017613 /nfs/dbraw/zinc/01/76/13/823017613.db2.gz GHUAOXNWOUCQKH-UWJYYQICSA-N 1 0 398.576 4.335 20 0 GIADRO O=C(C[N@H+]1CCC[C@@](CO)(Cc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2 ZINC000570256591 823020153 /nfs/dbraw/zinc/02/01/53/823020153.db2.gz FXNKUAUGHFFCSI-CYPZLSGVSA-N 1 0 381.560 4.089 20 0 GIADRO CC[C@H](Oc1ccccc1F)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000175691757 823021517 /nfs/dbraw/zinc/02/15/17/823021517.db2.gz PJYIPNKWRFQKMA-UWJYYQICSA-N 1 0 384.495 4.325 20 0 GIADRO C[C@@H](NC(=O)CCc1ncc(-c2ccccc2)o1)[C@@H](c1ccccc1)[NH+](C)C ZINC000187183884 823021964 /nfs/dbraw/zinc/02/19/64/823021964.db2.gz HEMGWIWJZFSMBH-HXOBKFHXSA-N 1 0 377.488 4.082 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+][C@H](C)C1CCS(=O)(=O)CC1 ZINC000187185896 823022383 /nfs/dbraw/zinc/02/23/83/823022383.db2.gz WWZUVCFXKUHEES-HUUCEWRRSA-N 1 0 392.590 4.291 20 0 GIADRO Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000187186906 823022530 /nfs/dbraw/zinc/02/25/30/823022530.db2.gz QHWJFTHXDUNCMP-KRWDZBQOSA-N 1 0 388.556 4.366 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)[C@H]2SCCc3ccccc32)CC1 ZINC000175699722 823023010 /nfs/dbraw/zinc/02/30/10/823023010.db2.gz VXWLXQPLKWRBLD-QFIPXVFZSA-N 1 0 380.557 4.140 20 0 GIADRO Cc1csc(Sc2ccc(NC(=O)N[C@@H]3C[NH2+]CCC3(F)F)c(C)c2)n1 ZINC000570303666 823023962 /nfs/dbraw/zinc/02/39/62/823023962.db2.gz NUIPWNBKFOHVJZ-CQSZACIVSA-N 1 0 398.504 4.030 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1cc2ccccc2o1 ZINC000175706696 823024638 /nfs/dbraw/zinc/02/46/38/823024638.db2.gz HVSZGZYSPGGKLB-FQEVSTJZSA-N 1 0 391.515 4.486 20 0 GIADRO Cc1ccc(Br)c(C(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000187218327 823026566 /nfs/dbraw/zinc/02/65/66/823026566.db2.gz HXECHXDIRLSRAZ-KBXCAEBGSA-N 1 0 375.310 4.179 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)N1CCC(OCC2CCCC2)CC1)c1ccco1 ZINC000175723740 823027294 /nfs/dbraw/zinc/02/72/94/823027294.db2.gz LZUDEBXIRMKJOP-HXUWFJFHSA-N 1 0 391.556 4.043 20 0 GIADRO CCC(=O)Nc1ccc(NC(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000175726408 823027678 /nfs/dbraw/zinc/02/76/78/823027678.db2.gz JSDUDIHKFHKCGM-NRFANRHFSA-N 1 0 394.519 4.163 20 0 GIADRO C[C@H](NC(=O)c1cccc(Oc2ccncc2)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000187230222 823028090 /nfs/dbraw/zinc/02/80/90/823028090.db2.gz QRBGPXOUKURYJQ-JTSKRJEESA-N 1 0 375.472 4.295 20 0 GIADRO CC(C)Oc1ccc([C@H](C)[NH2+][C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)cc1 ZINC000570353762 823028239 /nfs/dbraw/zinc/02/82/39/823028239.db2.gz AQTYNBWBSVYJOU-DOTOQJQBSA-N 1 0 386.458 4.458 20 0 GIADRO Cc1cccc(C(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)c1Br ZINC000187233157 823028521 /nfs/dbraw/zinc/02/85/21/823028521.db2.gz LIZVXXOWURBAQC-KBXCAEBGSA-N 1 0 375.310 4.179 20 0 GIADRO CC[C@@H](NC(=O)c1ccccc1)c1noc(-c2ccc(C[NH+]3CCCC3)cc2)n1 ZINC000570364736 823029575 /nfs/dbraw/zinc/02/95/75/823029575.db2.gz ZSQZGPAYTBYQSV-HXUWFJFHSA-N 1 0 390.487 4.214 20 0 GIADRO CCc1c(NC(=O)c2cccc(C[NH+]3CCCCC3)c2)n[nH]c1-c1ccncc1 ZINC000570377883 823031443 /nfs/dbraw/zinc/03/14/43/823031443.db2.gz ATHWQYDKWBOXDK-UHFFFAOYSA-N 1 0 389.503 4.272 20 0 GIADRO COc1ccccc1O[C@@H](C)C[NH2+][C@@H](C)c1ncc(Br)cc1F ZINC000187259770 823032012 /nfs/dbraw/zinc/03/20/12/823032012.db2.gz FENBICWUTQGJSG-RYUDHWBXSA-N 1 0 383.261 4.110 20 0 GIADRO O[C@H](C[NH2+]C[C@@H](c1ccccc1)C(F)(F)F)COCc1ccc(Cl)cc1 ZINC000570390853 823032479 /nfs/dbraw/zinc/03/24/79/823032479.db2.gz RAMYZTYTIGEDDR-MSOLQXFVSA-N 1 0 387.829 4.153 20 0 GIADRO CC(C)(C)[NH+]1CCC(NC(=O)N2CC[C@H](CSc3ccccc3)C2)CC1 ZINC000175755490 823032524 /nfs/dbraw/zinc/03/25/24/823032524.db2.gz METYGPPMUAMRLB-KRWDZBQOSA-N 1 0 375.582 4.073 20 0 GIADRO CC(C)[C@H](C(=O)NCc1ccc(Oc2ccccc2C(F)(F)F)nc1)[C@H](C)[NH3+] ZINC000570393884 823032716 /nfs/dbraw/zinc/03/27/16/823032716.db2.gz RZTMNUULVXNOOA-UGSOOPFHSA-N 1 0 395.425 4.128 20 0 GIADRO C[C@@H](NC(=O)CCCc1nc2ccccc2s1)[C@@H](c1ccccc1)[NH+](C)C ZINC000187263481 823032785 /nfs/dbraw/zinc/03/27/85/823032785.db2.gz WWOSKAVNUWHJFP-ZHRRBRCNSA-N 1 0 381.545 4.427 20 0 GIADRO Cc1ccc(C[NH+]2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)c(C)n1 ZINC000187268027 823033471 /nfs/dbraw/zinc/03/34/71/823033471.db2.gz FIYSHXWUVAWZPR-UHFFFAOYSA-N 1 0 377.532 4.102 20 0 GIADRO CCO[C@@H]1CCN(C(=O)NCC(CC)(CC)[NH2+][C@@H](C)c2ccccc2)C[C@H]1C ZINC000458374734 823033851 /nfs/dbraw/zinc/03/38/51/823033851.db2.gz OXAZYHPTKSNINY-SVFBPWRDSA-N 1 0 389.584 4.353 20 0 GIADRO CCc1noc(C)c1CNC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000458377950 823034311 /nfs/dbraw/zinc/03/43/11/823034311.db2.gz RNSFZUINSRMCIV-MRXNPFEDSA-N 1 0 384.524 4.008 20 0 GIADRO C[C@H](NC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)c1nc2c(s1)CCC2 ZINC000458383000 823034759 /nfs/dbraw/zinc/03/47/59/823034759.db2.gz YRKRIQQJXWKGLL-GJZGRUSLSA-N 1 0 386.565 4.121 20 0 GIADRO C[C@H]([NH2+]C(C)(C)CNC(=O)N1CCC[C@@]2(CCSC2)C1)c1ccccc1 ZINC000458381070 823034792 /nfs/dbraw/zinc/03/47/92/823034792.db2.gz VKQHEPWYLMKWED-LAUBAEHRSA-N 1 0 375.582 4.045 20 0 GIADRO CCOCc1ccccc1CNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000175766604 823034796 /nfs/dbraw/zinc/03/47/96/823034796.db2.gz HSCMYIMSCFFPFG-UHFFFAOYSA-N 1 0 395.547 4.029 20 0 GIADRO CN(C(=O)N[C@H]1CCC[C@H]1c1ccccc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458385116 823035240 /nfs/dbraw/zinc/03/52/40/823035240.db2.gz MGIWYUDCCPGRKE-OALUTQOASA-N 1 0 397.485 4.381 20 0 GIADRO C[C@@H]1[C@H](NC(=O)N2CCCCC[C@@H]2c2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC000570423226 823036104 /nfs/dbraw/zinc/03/61/04/823036104.db2.gz DGMRXOINMOKNKZ-UEVCKROQSA-N 1 0 392.547 4.371 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1cc(C(C)(C)C)nn1C)c1ccc(F)c2ccccc21 ZINC000570431108 823037176 /nfs/dbraw/zinc/03/71/76/823037176.db2.gz UTKMHFFXNOUQKT-AWEZNQCLSA-N 1 0 382.483 4.299 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC(C)(CC(F)(F)F)C2)CC1 ZINC000458406441 823037387 /nfs/dbraw/zinc/03/73/87/823037387.db2.gz KKKAWHIIFFXXRP-HNNXBMFYSA-N 1 0 383.458 4.196 20 0 GIADRO COc1ccc([C@H](NC(=O)NCCCCC[NH+]2CCCCC2)c2ccco2)cc1 ZINC000458410940 823037446 /nfs/dbraw/zinc/03/74/46/823037446.db2.gz ADNNPUPJPVCZLE-QFIPXVFZSA-N 1 0 399.535 4.333 20 0 GIADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)CCCc1ncc(-c2ccccc2)o1 ZINC000055758639 823038647 /nfs/dbraw/zinc/03/86/47/823038647.db2.gz CKJHUJXHIBDYQB-GUDVDZBRSA-N 1 0 383.536 4.147 20 0 GIADRO C[C@H](c1ccco1)N(C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000175781235 823038896 /nfs/dbraw/zinc/03/88/96/823038896.db2.gz DFWQLOFPFDJMRD-GOSISDBHSA-N 1 0 381.520 4.427 20 0 GIADRO Cc1ccc(C[NH2+][C@H](C)C2CCS(=O)(=O)CC2)c(OCCCC(C)C)c1 ZINC000187299365 823039297 /nfs/dbraw/zinc/03/92/97/823039297.db2.gz ZYQBTTNIFSWTSQ-GOSISDBHSA-N 1 0 381.582 4.113 20 0 GIADRO Cc1ccc(C[NH2+][C@@H](C)C2CCS(=O)(=O)CC2)c(OCCCC(C)C)c1 ZINC000187299346 823039395 /nfs/dbraw/zinc/03/93/95/823039395.db2.gz ZYQBTTNIFSWTSQ-SFHVURJKSA-N 1 0 381.582 4.113 20 0 GIADRO C[C@@H](Cc1ccc(O)cc1)[NH2+]C[C@@H](O)COC(c1ccccc1)c1ccccc1 ZINC000570444665 823039726 /nfs/dbraw/zinc/03/97/26/823039726.db2.gz JFNDQSBWJJMMOO-YADARESESA-N 1 0 391.511 4.080 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)NC2CCC(C(F)F)CC2)[C@@H]1c1cccs1 ZINC000458442169 823040743 /nfs/dbraw/zinc/04/07/43/823040743.db2.gz WAVSYKKLZBKYBB-CLKYRPBMSA-N 1 0 385.524 4.254 20 0 GIADRO O=C(NC1CCC(F)(F)CC1)N(CCn1ccnc1)Cc1cccc(Cl)c1 ZINC000570463609 823041044 /nfs/dbraw/zinc/04/10/44/823041044.db2.gz ZMARGAONWAOVPK-UHFFFAOYSA-N 1 0 396.869 4.326 20 0 GIADRO CS(=O)(=O)CC1CCC([NH2+][C@@H]2CCc3c2ccc(Cl)c3Cl)CC1 ZINC000570468082 823041650 /nfs/dbraw/zinc/04/16/50/823041650.db2.gz QLYPDZDNGXMADT-ZEPSKSRBSA-N 1 0 376.349 4.174 20 0 GIADRO Cc1cccc(Oc2cc(CNC(=O)NCC[C@@H]3CCC[N@@H+](C)C3)ccn2)c1C ZINC000458459457 823043098 /nfs/dbraw/zinc/04/30/98/823043098.db2.gz DIUGARPAGMRZES-IBGZPJMESA-N 1 0 396.535 4.022 20 0 GIADRO O=C(Nc1ccccc1)c1cccc(C[NH+]2CCC3(CCC(O)CC3)CC2)c1 ZINC000570480110 823043623 /nfs/dbraw/zinc/04/36/23/823043623.db2.gz DWJRHDIDNIUAGC-UHFFFAOYSA-N 1 0 378.516 4.456 20 0 GIADRO COc1cc(CN(C)C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)ccc1SC ZINC000060559529 823542359 /nfs/dbraw/zinc/54/23/59/823542359.db2.gz MESYLYONMQZGLC-MRXNPFEDSA-N 1 0 393.597 4.069 20 0 GIADRO CC1CCC([N@H+](Cc2ccc(C(N)=O)cc2)Cc2ccc3c(c2)OCO3)CC1 ZINC000060562298 823542595 /nfs/dbraw/zinc/54/25/95/823542595.db2.gz QXRUBYRUCFZZCX-UHFFFAOYSA-N 1 0 380.488 4.095 20 0 GIADRO C[C@H](C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)c1cccs1 ZINC000123814685 823542758 /nfs/dbraw/zinc/54/27/58/823542758.db2.gz GTGISWSNGLYYHN-WPKBUWHJSA-N 1 0 380.916 4.453 20 0 GIADRO O=C(C[N@@H+](Cc1ccccc1C(F)(F)F)C1CCCC1)NCc1ccco1 ZINC000060563503 823542767 /nfs/dbraw/zinc/54/27/67/823542767.db2.gz HYEQXCGFTQWIPZ-UHFFFAOYSA-N 1 0 380.410 4.359 20 0 GIADRO CCN(C(=O)NC1CC[NH+](CCc2ccccc2)CC1)[C@@H](C)Cc1ccsc1 ZINC000190149736 823543202 /nfs/dbraw/zinc/54/32/02/823543202.db2.gz MTGHKLVXOKLEOZ-IBGZPJMESA-N 1 0 399.604 4.418 20 0 GIADRO COc1ccc(C(C)(C)CNC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000060576221 823543977 /nfs/dbraw/zinc/54/39/77/823543977.db2.gz VHRFKOYHLANIFN-QFIPXVFZSA-N 1 0 395.547 4.109 20 0 GIADRO C[C@H]([NH2+]Cc1cccnc1-n1cccn1)c1cc(Br)ccc1F ZINC000177905730 823544368 /nfs/dbraw/zinc/54/43/68/823544368.db2.gz FMSGLZNANNPSJE-LBPRGKRZSA-N 1 0 375.245 4.020 20 0 GIADRO Cc1cc(SC(C)(C)C)ccc1NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000190165642 823545069 /nfs/dbraw/zinc/54/50/69/823545069.db2.gz USKJICQBJRIOJO-INIZCTEOSA-N 1 0 393.597 4.195 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1NCc1ccco1 ZINC000123849726 823545416 /nfs/dbraw/zinc/54/54/16/823545416.db2.gz CPXDTKWUAKJVIP-UHFFFAOYSA-N 1 0 389.499 4.286 20 0 GIADRO CCn1cc([C@H](C)[NH2+]CC2(c3cccc(Br)c3)CCOCC2)cn1 ZINC000177913952 823545684 /nfs/dbraw/zinc/54/56/84/823545684.db2.gz ZYYCMAXODBFESE-HNNXBMFYSA-N 1 0 392.341 4.065 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCN(C(=O)C3CCCCC3)C2)cc1 ZINC000123854645 823546086 /nfs/dbraw/zinc/54/60/86/823546086.db2.gz NZRUBRNBMJVPAQ-DYESRHJHSA-N 1 0 380.536 4.013 20 0 GIADRO CC(C)C[C@H]([NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)c1ccccn1 ZINC000177920111 823546155 /nfs/dbraw/zinc/54/61/55/823546155.db2.gz LHBGQKVLJXFVIQ-PWHSHALESA-N 1 0 395.547 4.208 20 0 GIADRO CC[C@@H]([NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(OC)cc1 ZINC000177921589 823546521 /nfs/dbraw/zinc/54/65/21/823546521.db2.gz GGYSVMAJRVAMQA-IEGUWTFLSA-N 1 0 396.531 4.186 20 0 GIADRO C[N@@H+]1CC[C@H](CNC(=O)Cc2c[nH]c3ccccc23)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123856347 823546489 /nfs/dbraw/zinc/54/64/89/823546489.db2.gz IWQSGUZWEZHZEX-QRQCRPRQSA-N 1 0 399.897 4.312 20 0 GIADRO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000177921774 823546644 /nfs/dbraw/zinc/54/66/44/823546644.db2.gz CQPDHVPTRFRHOF-QRVBRYPASA-N 1 0 396.531 4.104 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F)c1ccccc1 ZINC000123858431 823546732 /nfs/dbraw/zinc/54/67/32/823546732.db2.gz ILNGURNIAVHKCX-FGTMMUONSA-N 1 0 392.421 4.108 20 0 GIADRO C[C@@H](C(=O)N(CCC[NH+]1CCCC1)c1ccc(Cl)cc1)C1CCOCC1 ZINC000411104160 823546902 /nfs/dbraw/zinc/54/69/02/823546902.db2.gz SBIOZYOWNZRRFZ-QGZVFWFLSA-N 1 0 378.944 4.222 20 0 GIADRO Cc1ccc(C)c([C@H]2CCCN2C(=O)NC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000177925851 823547084 /nfs/dbraw/zinc/54/70/84/823547084.db2.gz CACYHWPUYQQMEU-HSZRJFAPSA-N 1 0 392.547 4.210 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)c1ccc(NS(C)(=O)=O)cc1)c1ccccc1OC(F)F ZINC000177925464 823547135 /nfs/dbraw/zinc/54/71/35/823547135.db2.gz VMEYWEVLYQLSCC-GUYCJALGSA-N 1 0 398.475 4.461 20 0 GIADRO Cc1noc(C)c1CC(=O)N(CCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000411105840 823547259 /nfs/dbraw/zinc/54/72/59/823547259.db2.gz YJXKXXNPCPSQJB-UHFFFAOYSA-N 1 0 375.900 4.006 20 0 GIADRO COc1ccc([C@@H](C)N(C)C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000123867854 823547641 /nfs/dbraw/zinc/54/76/41/823547641.db2.gz MAOZIWQNBFQKDT-LJQANCHMSA-N 1 0 395.547 4.371 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)Nc2ccccc2OC(F)F)CC1 ZINC000123876625 823548538 /nfs/dbraw/zinc/54/85/38/823548538.db2.gz NGUVNDHRSCVTPH-UHFFFAOYSA-N 1 0 389.446 4.383 20 0 GIADRO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000177938292 823548616 /nfs/dbraw/zinc/54/86/16/823548616.db2.gz FXSFHPYWTHFGOU-VOIUYBSRSA-N 1 0 394.515 4.478 20 0 GIADRO CCCCn1nc(C)c(C[NH2+]CCc2nc3cc(F)ccc3n2C)c1Cl ZINC000123889779 823549305 /nfs/dbraw/zinc/54/93/05/823549305.db2.gz UJYSIKOEPAMJQJ-UHFFFAOYSA-N 1 0 377.895 4.003 20 0 GIADRO Cn1c(CC[NH2+]Cc2ccccc2OCc2ccccn2)nc2cc(F)ccc21 ZINC000123906346 823550600 /nfs/dbraw/zinc/55/06/00/823550600.db2.gz CWNAOYTUFZHCCE-UHFFFAOYSA-N 1 0 390.462 4.019 20 0 GIADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccccc1 ZINC000060658882 823550771 /nfs/dbraw/zinc/55/07/71/823550771.db2.gz XWJYUVQPOBQNFJ-GOSISDBHSA-N 1 0 381.520 4.179 20 0 GIADRO COc1cc(OC)c([C@@H](C)[NH2+][C@H]2CCN(C(=O)C3CCCCC3)C2)cc1Cl ZINC000123920726 823551901 /nfs/dbraw/zinc/55/19/01/823551901.db2.gz XYOBIWZOOJMWHW-ZBFHGGJFSA-N 1 0 394.943 4.189 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(C(F)(F)F)n1 ZINC000123930298 823552624 /nfs/dbraw/zinc/55/26/24/823552624.db2.gz OUWUEKRAVNCMMJ-INIZCTEOSA-N 1 0 392.425 4.086 20 0 GIADRO CCOc1ccc(C[NH2+]CCc2nc(-c3ccccn3)cs2)cc1OCC ZINC000123931469 823552770 /nfs/dbraw/zinc/55/27/70/823552770.db2.gz TURMMFBEXLSXKL-UHFFFAOYSA-N 1 0 383.517 4.335 20 0 GIADRO COc1cc(Cl)c(F)c(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000411158976 823552803 /nfs/dbraw/zinc/55/28/03/823552803.db2.gz PUJNRRAQPKCGEP-OAHLLOKOSA-N 1 0 382.888 4.116 20 0 GIADRO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@H+](CCc1cncs1)CC2 ZINC000411159684 823552811 /nfs/dbraw/zinc/55/28/11/823552811.db2.gz VZUYUCDATNBUJH-QFIPXVFZSA-N 1 0 380.513 4.351 20 0 GIADRO CC[C@@H](C(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1)c1ccc(F)cc1 ZINC000460969983 823552972 /nfs/dbraw/zinc/55/29/72/823552972.db2.gz OYNVEFCMANAKOL-TZIWHRDSSA-N 1 0 384.495 4.281 20 0 GIADRO Cc1cc(C)c(Br)c(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c1 ZINC000460970338 823553009 /nfs/dbraw/zinc/55/30/09/823553009.db2.gz PRWXVUGUGCPIEM-HNNXBMFYSA-N 1 0 381.339 4.160 20 0 GIADRO CSC1(CNC(=O)c2ccc(O[C@@H](C)c3ccccc3)cc2)CC[NH+](C)CC1 ZINC000460970477 823553155 /nfs/dbraw/zinc/55/31/55/823553155.db2.gz VKPWWTOVXXVOTO-SFHVURJKSA-N 1 0 398.572 4.384 20 0 GIADRO Cc1ccncc1C(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000460973618 823553630 /nfs/dbraw/zinc/55/36/30/823553630.db2.gz XGVFBEPADJHGMB-UHFFFAOYSA-N 1 0 380.319 4.291 20 0 GIADRO Cc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)C2CC[NH+](C(C)C)CC2)c1 ZINC000123944122 823554004 /nfs/dbraw/zinc/55/40/04/823554004.db2.gz YWLRPQMKRIDPNG-XMMPIXPASA-N 1 0 394.559 4.178 20 0 GIADRO Cc1cc(C)c(Br)c(C(=O)NCCCC[NH+]2CCC(C)CC2)c1 ZINC000460975786 823554175 /nfs/dbraw/zinc/55/41/75/823554175.db2.gz ABLLJODOUXSNGD-UHFFFAOYSA-N 1 0 381.358 4.308 20 0 GIADRO Cc1csc2nc(C[N@H+]3CC[C@H](Cc4ccc(C(C)C)cc4)C3)cc(=O)n12 ZINC000460978762 823554821 /nfs/dbraw/zinc/55/48/21/823554821.db2.gz KFIGBJFCMKNYGG-GOSISDBHSA-N 1 0 381.545 4.252 20 0 GIADRO Cc1ccc(-c2n[nH]cc2C[NH2+]CCc2nc(-c3ccccn3)cs2)cc1 ZINC000123953255 823554847 /nfs/dbraw/zinc/55/48/47/823554847.db2.gz SOMRZJTZVCPJMX-UHFFFAOYSA-N 1 0 375.501 4.236 20 0 GIADRO COc1cc2c(cc1OC)CC[NH+](Cc1ccc(-c3ncco3)cc1F)CC2 ZINC000411182170 823555088 /nfs/dbraw/zinc/55/50/88/823555088.db2.gz GQHKGHVKWIHILK-UHFFFAOYSA-N 1 0 382.435 4.099 20 0 GIADRO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](Cc2ccc(C(C)C)cc2)C1 ZINC000460981619 823555225 /nfs/dbraw/zinc/55/52/25/823555225.db2.gz HYKGPHJKWXDSDH-UYAOXDASSA-N 1 0 382.552 4.052 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)C[N@H+]2CC[C@H](Cc3ccc(C(C)C)cc3)C2)c1 ZINC000460981279 823555248 /nfs/dbraw/zinc/55/52/48/823555248.db2.gz OKANESGCJIAICJ-HXUWFJFHSA-N 1 0 393.531 4.272 20 0 GIADRO CCOc1ccccc1NC(=O)[C@@H](C)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000411187250 823555461 /nfs/dbraw/zinc/55/54/61/823555461.db2.gz PQQOTRPXRQKZNZ-LJQANCHMSA-N 1 0 387.568 4.000 20 0 GIADRO O=C(NCCc1nc2ccccc2s1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000411187308 823555477 /nfs/dbraw/zinc/55/54/77/823555477.db2.gz PXGCHTXBDLDDHC-UHFFFAOYSA-N 1 0 379.529 4.255 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C1(c2ccccc2Br)CC1 ZINC000190248545 823555664 /nfs/dbraw/zinc/55/56/64/823555664.db2.gz UCRFWSVUODKPFS-MRXNPFEDSA-N 1 0 393.369 4.252 20 0 GIADRO CC(C)Oc1ccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c(C(F)(F)F)c1 ZINC000123965352 823556175 /nfs/dbraw/zinc/55/61/75/823556175.db2.gz RTOLOYPCFWIVRB-KBXCAEBGSA-N 1 0 399.457 4.441 20 0 GIADRO O=C(C[C@H](c1ccc(O)cc1)C1CC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000411196518 823556414 /nfs/dbraw/zinc/55/64/14/823556414.db2.gz UYVUVQONKBEWJW-QHCPKHFHSA-N 1 0 378.516 4.057 20 0 GIADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)/C=C/c2ccc(Cl)cc2)c1 ZINC000060789398 823557727 /nfs/dbraw/zinc/55/77/27/823557727.db2.gz GKUXQMMDXQCHBH-JLHYYAGUSA-N 1 0 399.922 4.064 20 0 GIADRO CC(C)C[C@H](CNC(=O)c1cc(NC(=O)CC(C)(C)C)ccc1Cl)[NH+](C)C ZINC000461003764 823557850 /nfs/dbraw/zinc/55/78/50/823557850.db2.gz WMFXYRVQCDRZRU-MRXNPFEDSA-N 1 0 395.975 4.421 20 0 GIADRO CN(Cc1nccn1CC(F)(F)F)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411225044 823558652 /nfs/dbraw/zinc/55/86/52/823558652.db2.gz LWZSDVXBIWCDKP-UHFFFAOYSA-N 1 0 380.458 4.063 20 0 GIADRO CC[C@H](C(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1)c1ccc(F)cc1 ZINC000461011463 823558776 /nfs/dbraw/zinc/55/87/76/823558776.db2.gz FSAWJWNFOXHTIX-SPEDKVCISA-N 1 0 390.543 4.057 20 0 GIADRO COCC(C)(C)[NH2+]CC(=O)N(Cc1ccccc1)c1nc2c(cccc2C)s1 ZINC000411228060 823558864 /nfs/dbraw/zinc/55/88/64/823558864.db2.gz LQGKYWNGVVSTBH-UHFFFAOYSA-N 1 0 397.544 4.153 20 0 GIADRO Cc1cc(C)c(Br)c(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)c1 ZINC000461014548 823559230 /nfs/dbraw/zinc/55/92/30/823559230.db2.gz JFRIAAHFTAHCIG-UHFFFAOYSA-N 1 0 379.342 4.156 20 0 GIADRO C[NH+](C)Cc1ccc(C(=O)NCCc2ccc(NC(=O)OC(C)(C)C)cc2)cc1 ZINC000124005559 823559256 /nfs/dbraw/zinc/55/92/56/823559256.db2.gz MNTYCBSVFCDTBL-UHFFFAOYSA-N 1 0 397.519 4.068 20 0 GIADRO COc1ccc(C[NH2+]Cc2ccc(OC(F)F)cc2OC(F)F)cc1OC ZINC000060816041 823559521 /nfs/dbraw/zinc/55/95/21/823559521.db2.gz LCOOIYWOGJSKKA-UHFFFAOYSA-N 1 0 389.345 4.196 20 0 GIADRO COc1ccc([C@H](C[NH2+]Cc2ccc(OC)c(OC)c2)N2CCCCC2)cc1 ZINC000060828314 823560619 /nfs/dbraw/zinc/56/06/19/823560619.db2.gz FGBKLAACNOEQBU-NRFANRHFSA-N 1 0 384.520 4.029 20 0 GIADRO Cc1ccc([C@H](NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)c2ccccc2)cc1 ZINC000411259502 823560722 /nfs/dbraw/zinc/56/07/22/823560722.db2.gz AYSWJSKZOGVKDM-DHIUTWEWSA-N 1 0 394.584 4.418 20 0 GIADRO COc1ccc(C[NH2+]Cc2ccc(C)nc2-n2cc(Cl)cn2)cc1Cl ZINC000190304274 823560865 /nfs/dbraw/zinc/56/08/65/823560865.db2.gz OEWLKOKXBOSKFQ-UHFFFAOYSA-N 1 0 377.275 4.181 20 0 GIADRO Cc1csc([C@@H](NC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C2CC2)n1 ZINC000461025673 823561123 /nfs/dbraw/zinc/56/11/23/823561123.db2.gz FLOVNBGNFOOMSH-HKUYNNGSSA-N 1 0 387.524 4.070 20 0 GIADRO COc1ccc(C[C@H]([NH2+]Cc2ccc(OC)c(O)c2)c2ccc(OC)cc2)cc1 ZINC000060843550 823561403 /nfs/dbraw/zinc/56/14/03/823561403.db2.gz YCOUFRXVTWBYBR-QFIPXVFZSA-N 1 0 393.483 4.492 20 0 GIADRO Cn1cccc1[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1Br ZINC000411299378 823563050 /nfs/dbraw/zinc/56/30/50/823563050.db2.gz ALGZZJHJLQQMRC-SFHVURJKSA-N 1 0 390.325 4.343 20 0 GIADRO O=C(CC[N@H+](C[C@@H]1CCCO1)C1CCCC1)Nc1ccccc1Br ZINC000411316040 823564269 /nfs/dbraw/zinc/56/42/69/823564269.db2.gz VUDOCKNVBRDBFO-INIZCTEOSA-N 1 0 395.341 4.201 20 0 GIADRO CCOC(=O)c1csc(CC[NH2+]Cc2ccc(-c3c(F)cccc3F)o2)n1 ZINC000190339512 823564475 /nfs/dbraw/zinc/56/44/75/823564475.db2.gz FFZXJSFJTWUARE-UHFFFAOYSA-N 1 0 392.427 4.190 20 0 GIADRO C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1cccc(F)c1 ZINC000461048275 823565376 /nfs/dbraw/zinc/56/53/76/823565376.db2.gz VFJSGKGSNXXGAY-KUHUBIRLSA-N 1 0 394.412 4.339 20 0 GIADRO Cc1cc(Br)cc(C[NH2+][C@@H]2C[C@H]3OCCC[C@H]23)c1OC(F)F ZINC000190349768 823565425 /nfs/dbraw/zinc/56/54/25/823565425.db2.gz QTKNMHLCPUKEGO-MGPQQGTHSA-N 1 0 376.241 4.016 20 0 GIADRO C[C@H](c1cccc(Cl)c1)[N@H+](C)CCCOc1cccc(S(C)(=O)=O)c1 ZINC000060904964 823565691 /nfs/dbraw/zinc/56/56/91/823565691.db2.gz VKYQQIJMICCAHT-OAHLLOKOSA-N 1 0 381.925 4.205 20 0 GIADRO C[N@H+](CCCOc1cccc(S(C)(=O)=O)c1)Cc1cccc2ccccc21 ZINC000060905656 823565773 /nfs/dbraw/zinc/56/57/73/823565773.db2.gz MKMOPWBOKVPQNA-UHFFFAOYSA-N 1 0 383.513 4.144 20 0 GIADRO Cc1ccc2ncc(C[NH+]3CCC(C(=O)N4CCc5ccccc54)CC3)cc2c1 ZINC000411356606 823566179 /nfs/dbraw/zinc/56/61/79/823566179.db2.gz UOVPQXGMJQLNRJ-UHFFFAOYSA-N 1 0 385.511 4.345 20 0 GIADRO O=C(COc1ccccc1C[N@H+]1CCC[C@@H]1c1ccc(F)cc1)N1CCCC1 ZINC000124085845 823566327 /nfs/dbraw/zinc/56/63/27/823566327.db2.gz VFEGZPPXIUROAK-OAQYLSRUSA-N 1 0 382.479 4.164 20 0 GIADRO Cc1cc(C[NH2+]C[C@@](C)(O)c2ccsc2)cc(C)c1OCc1ccccn1 ZINC000124088145 823566449 /nfs/dbraw/zinc/56/64/49/823566449.db2.gz MNFXJVHBICBMJK-JOCHJYFZSA-N 1 0 382.529 4.336 20 0 GIADRO C[C@@H]1CC(C)(C)C[C@@](CO)([NH2+]CCC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000411375820 823567259 /nfs/dbraw/zinc/56/72/59/823567259.db2.gz RQPUHDZPPRBSCL-KUHUBIRLSA-N 1 0 386.458 4.201 20 0 GIADRO C[NH+](C)Cc1cccc(C(=O)N2CCCCC[C@@H]2C[C@H](O)c2ccccc2)c1 ZINC000124101450 823567670 /nfs/dbraw/zinc/56/76/70/823567670.db2.gz BTOAUTJQWZQKJB-PKTZIBPZSA-N 1 0 380.532 4.257 20 0 GIADRO C[C@H](Nc1ccc([NH+]2CCCCCC2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000060943128 823568260 /nfs/dbraw/zinc/56/82/60/823568260.db2.gz GNIPKVHLPUGPSL-INIZCTEOSA-N 1 0 382.464 4.414 20 0 GIADRO C[NH+]1CCC(N(c2ccccc2)S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000190387413 823568443 /nfs/dbraw/zinc/56/84/43/823568443.db2.gz DBWCHPQWTCLSSH-UHFFFAOYSA-N 1 0 399.343 4.283 20 0 GIADRO COc1ccc([C@H](NC(=O)NCC[NH+](C(C)C)C(C)C)c2ccccc2)cc1 ZINC000060954862 823569103 /nfs/dbraw/zinc/56/91/03/823569103.db2.gz UHSDRIXNFKMCMY-JOCHJYFZSA-N 1 0 383.536 4.203 20 0 GIADRO COc1cc(C[NH2+]Cc2ccc(-c3ccc4c(c3)CCO4)cc2)cc2c1OCO2 ZINC000060970945 823570338 /nfs/dbraw/zinc/57/03/38/823570338.db2.gz QVFHZQKWIQGTHF-UHFFFAOYSA-N 1 0 389.451 4.316 20 0 GIADRO CCOc1ccccc1NC(=O)[C@@H]([NH2+]C[C@@](C)(OC)C1CC1)c1ccccc1 ZINC000461072863 823570372 /nfs/dbraw/zinc/57/03/72/823570372.db2.gz FMACUPCMGNYBRM-JTHBVZDNSA-N 1 0 382.504 4.170 20 0 GIADRO CC[C@](C)(COc1ncccc1Cl)[NH2+]CCC(=O)Nc1ccccc1F ZINC000411402109 823570624 /nfs/dbraw/zinc/57/06/24/823570624.db2.gz RZFIBGJIRUHVOK-LJQANCHMSA-N 1 0 379.863 4.040 20 0 GIADRO CCC1(CC)CCC[N@@H+]([C@H](C)C(=O)Nc2cc(NC(C)=O)ccc2OC)CC1 ZINC000190415807 823570742 /nfs/dbraw/zinc/57/07/42/823570742.db2.gz RVNJYKUTFSRTKJ-MRXNPFEDSA-N 1 0 389.540 4.273 20 0 GIADRO CC[C@@H](CN(CC)C(=O)C(=O)Nc1ccc(C[NH+](C)C)c(C)c1)c1ccccc1 ZINC000411409124 823571018 /nfs/dbraw/zinc/57/10/18/823571018.db2.gz AHEHYUYYCJVGAZ-IBGZPJMESA-N 1 0 395.547 4.037 20 0 GIADRO Cc1c(C[NH+]2CCC(Cc3cccc(F)c3)CC2)c(=O)n(-c2ccccc2)n1C ZINC000124141556 823571212 /nfs/dbraw/zinc/57/12/12/823571212.db2.gz REVJJWGUZXMMGP-UHFFFAOYSA-N 1 0 393.506 4.078 20 0 GIADRO C[C@@H](c1ccccn1)[N@H+](C)CCc1nc2sc3c(c2c(N)n1)CC[C@@H](C)C3 ZINC000411420307 823571989 /nfs/dbraw/zinc/57/19/89/823571989.db2.gz LMYLEJQVKQXTRW-KGLIPLIRSA-N 1 0 381.549 4.029 20 0 GIADRO Cc1ccccc1COc1ccc([C@@H](C)[NH2+][C@H](CCO)C2CCOCC2)cc1 ZINC000461080517 823572300 /nfs/dbraw/zinc/57/23/00/823572300.db2.gz CMVNQQHSQPMRHJ-NTKDMRAZSA-N 1 0 383.532 4.402 20 0 GIADRO Cn1cc(C[NH2+]CCc2nc(C3CCCCC3)cs2)c(-c2cccnc2)n1 ZINC000124158208 823572849 /nfs/dbraw/zinc/57/28/49/823572849.db2.gz CAFIYDGRUUAMCG-UHFFFAOYSA-N 1 0 381.549 4.319 20 0 GIADRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)N[C@H](c1ccccc1)C1CC1 ZINC000061021684 823573669 /nfs/dbraw/zinc/57/36/69/823573669.db2.gz HIKREDFAGDEJML-OAQYLSRUSA-N 1 0 383.561 4.411 20 0 GIADRO CCOc1ccccc1C[NH2+]Cc1ccc(OCc2ccncc2)c(OC)c1 ZINC000061025045 823573832 /nfs/dbraw/zinc/57/38/32/823573832.db2.gz OVTXKIGFCXLYAA-UHFFFAOYSA-N 1 0 378.472 4.358 20 0 GIADRO CCOCc1ccccc1CNC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000061024996 823573836 /nfs/dbraw/zinc/57/38/36/823573836.db2.gz BLEXZAPEKOWTKQ-UHFFFAOYSA-N 1 0 387.568 4.211 20 0 GIADRO C[C@@H]([NH2+]CCC(=O)N1CCc2sccc2C1)c1ccc(Br)cc1 ZINC000411437866 823574206 /nfs/dbraw/zinc/57/42/06/823574206.db2.gz LZGLIMPZYNOVSK-CYBMUJFWSA-N 1 0 393.350 4.136 20 0 GIADRO CC[NH2+]Cc1ccccc1NC(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000124170838 823574342 /nfs/dbraw/zinc/57/43/42/823574342.db2.gz DQLYONCJUMRJDB-HOTGVXAUSA-N 1 0 378.394 4.437 20 0 GIADRO COc1cccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CCSc3ccccc32)c1 ZINC000190440682 823574329 /nfs/dbraw/zinc/57/43/29/823574329.db2.gz XTMVZBTUYAAHHX-FQEVSTJZSA-N 1 0 399.560 4.006 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1cc2c(s1)CCCC2 ZINC000461088091 823574421 /nfs/dbraw/zinc/57/44/21/823574421.db2.gz JXKYYMCEXYKQBB-HNNXBMFYSA-N 1 0 390.574 4.018 20 0 GIADRO CC[C@H]([NH2+][C@@H](Cc1c[nH]c2ccccc12)C(=O)NC)c1cccc(Cl)c1F ZINC000461093693 823575473 /nfs/dbraw/zinc/57/54/73/823575473.db2.gz SSISRENXWINYAX-HKUYNNGSSA-N 1 0 387.886 4.358 20 0 GIADRO CSc1ccccc1NC(=O)CC[NH2+][C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000411449124 823575477 /nfs/dbraw/zinc/57/54/77/823575477.db2.gz LTAXYYIQHBXOJC-OAHLLOKOSA-N 1 0 397.544 4.436 20 0 GIADRO CCOc1ccc(NC(=O)CC[NH2+][C@@H](C)c2cc(OC)c(OC)cc2C)cc1 ZINC000411450520 823575698 /nfs/dbraw/zinc/57/56/98/823575698.db2.gz TWOHUJFQNGWIDX-INIZCTEOSA-N 1 0 386.492 4.090 20 0 GIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NCc2cc(-c3ccco3)on2)CC1 ZINC000411449871 823575742 /nfs/dbraw/zinc/57/57/42/823575742.db2.gz FPCPZNKTWWEZTN-MRXNPFEDSA-N 1 0 398.482 4.066 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCc2ccccc2NC1=O)c1ccc(OCC(F)(F)F)cc1 ZINC000411451112 823576019 /nfs/dbraw/zinc/57/60/19/823576019.db2.gz HWOISKQWLMSBSF-ACJLOTCBSA-N 1 0 378.394 4.232 20 0 GIADRO COc1ccc([C@H]([NH2+]C[C@]2(OC)CCOC2)c2ccccc2Cl)c(C)c1 ZINC000461096062 823576046 /nfs/dbraw/zinc/57/60/46/823576046.db2.gz SOOQANQATSLNPR-LEWJYISDSA-N 1 0 375.896 4.142 20 0 GIADRO COc1cc(NC(=O)CC[NH2+]C2(c3ccccc3)CCCC2)cc(OC)c1OC ZINC000411452742 823576228 /nfs/dbraw/zinc/57/62/28/823576228.db2.gz BOXUIOLIYDDRDP-UHFFFAOYSA-N 1 0 398.503 4.100 20 0 GIADRO C[C@H]([NH2+]CC(=O)N(C)Cc1ccc(F)cc1)c1ccc(OCC(F)(F)F)cc1 ZINC000411454569 823576413 /nfs/dbraw/zinc/57/64/13/823576413.db2.gz KPWBXMHWQUGZCU-AWEZNQCLSA-N 1 0 398.400 4.076 20 0 GIADRO COc1ccc2c(c1)CCC[C@@H]2C[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000124196829 823576537 /nfs/dbraw/zinc/57/65/37/823576537.db2.gz RYVCNPOYUGVBIY-QFBILLFUSA-N 1 0 380.488 4.423 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000411456615 823576857 /nfs/dbraw/zinc/57/68/57/823576857.db2.gz GROJVCFHLADXJX-KKSFZXQISA-N 1 0 388.895 4.045 20 0 GIADRO COc1cccc([C@@H](C)[NH2+]CCC(=O)Nc2ccccc2Br)c1 ZINC000411457229 823576863 /nfs/dbraw/zinc/57/68/63/823576863.db2.gz KWGKBFWECVQLLE-CYBMUJFWSA-N 1 0 377.282 4.137 20 0 GIADRO COc1cc(NC(=O)CC[NH2+][C@H](C)c2ccc(C)cc2)c(OC)cc1Cl ZINC000411458105 823577020 /nfs/dbraw/zinc/57/70/20/823577020.db2.gz LNLGOBUQKQFKLT-CQSZACIVSA-N 1 0 376.884 4.345 20 0 GIADRO C[C@H]([NH2+][C@H](CCO)C1CCOCC1)c1ccc(SCC(F)(F)F)cc1 ZINC000461100074 823577146 /nfs/dbraw/zinc/57/71/46/823577146.db2.gz PDVXKLVIFHTGNN-SUMWQHHRSA-N 1 0 377.472 4.169 20 0 GIADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)[C@H](C)c1cccc(Cl)c1 ZINC000461100982 823577263 /nfs/dbraw/zinc/57/72/63/823577263.db2.gz CEPQLFUXXSASQO-DYESRHJHSA-N 1 0 385.939 4.352 20 0 GIADRO COc1cccc(Cl)c1CN1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000190458224 823577337 /nfs/dbraw/zinc/57/73/37/823577337.db2.gz JWNUSNZIUOSDSI-HNNXBMFYSA-N 1 0 379.957 4.067 20 0 GIADRO O=C(NCCCC[NH+]1CCC(Cc2ccccc2)CC1)[C@H]1Cc2ccccc21 ZINC000461101452 823577466 /nfs/dbraw/zinc/57/74/66/823577466.db2.gz MDNIGLJRTQHCGU-DEOSSOPVSA-N 1 0 376.544 4.177 20 0 GIADRO C=CCOc1c(Br)cc(C[NH2+]Cc2ccc(C#N)cc2)cc1OC ZINC000061079327 823577478 /nfs/dbraw/zinc/57/74/78/823577478.db2.gz BNKVIRBTHJOGOJ-UHFFFAOYSA-N 1 0 387.277 4.184 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CCC(=O)Nc2ccc(Br)cc2F)cc1 ZINC000411461981 823577610 /nfs/dbraw/zinc/57/76/10/823577610.db2.gz QKNWMDBUHLMRDM-LBPRGKRZSA-N 1 0 395.272 4.276 20 0 GIADRO O=C(CC[NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1)Nc1cccc(C(F)(F)F)c1 ZINC000411465606 823577904 /nfs/dbraw/zinc/57/79/04/823577904.db2.gz XTUWPDSJFDKPBJ-UZLBHIALSA-N 1 0 392.421 4.401 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@@H]2CCc3ccccc3NC2=O)cc1Br ZINC000411466086 823578155 /nfs/dbraw/zinc/57/81/55/823578155.db2.gz YHSCGZCPPFSXAM-YVEFUNNKSA-N 1 0 389.293 4.062 20 0 GIADRO CO[C@]1(C[NH2+][C@H](c2cccc(SC)c2)c2ccc(F)c(F)c2)CCOC1 ZINC000461105421 823578414 /nfs/dbraw/zinc/57/84/14/823578414.db2.gz ZZETZFQDLDCQRX-UXHICEINSA-N 1 0 379.472 4.171 20 0 GIADRO CO[C@@]1(C[NH2+][C@H](c2cccc(SC)c2)c2ccc(F)c(F)c2)CCOC1 ZINC000461105423 823578429 /nfs/dbraw/zinc/57/84/29/823578429.db2.gz ZZETZFQDLDCQRX-WOJBJXKFSA-N 1 0 379.472 4.171 20 0 GIADRO CCc1oc2ccccc2c1C[NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000061108362 823578483 /nfs/dbraw/zinc/57/84/83/823578483.db2.gz USAZTGHUMKRSSK-UHFFFAOYSA-N 1 0 398.528 4.070 20 0 GIADRO C[S@](=O)C[C@H]([NH2+]CCC(=O)Nc1c(Cl)cccc1Cl)c1ccccc1 ZINC000411469167 823578497 /nfs/dbraw/zinc/57/84/97/823578497.db2.gz FXASQDCMSVRHBV-LMKMVOKYSA-N 1 0 399.343 4.031 20 0 GIADRO Fc1ccc(-c2n[nH]cc2C[NH2+]CCc2ccc(OC(F)(F)F)cc2)cc1 ZINC000061109224 823578555 /nfs/dbraw/zinc/57/85/55/823578555.db2.gz PXSVMXOOEMXJMW-UHFFFAOYSA-N 1 0 379.357 4.447 20 0 GIADRO CC[N@H+](Cc1c[nH]c2ccccc12)[C@H](C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000190470575 823578765 /nfs/dbraw/zinc/57/87/65/823578765.db2.gz BALUDEGLALPMSE-IIBYNOLFSA-N 1 0 377.488 4.018 20 0 GIADRO Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+][C@H](CCO)C1CCOCC1 ZINC000461110215 823579329 /nfs/dbraw/zinc/57/93/29/823579329.db2.gz OLYNNXFCLUYSFY-FZKQIMNGSA-N 1 0 378.513 4.086 20 0 GIADRO Cc1csc([C@@H]([NH2+]CCC(=O)Nc2cccc(Br)c2)C2CC2)n1 ZINC000411477996 823579419 /nfs/dbraw/zinc/57/94/19/823579419.db2.gz JOVFKRLETGJFQT-INIZCTEOSA-N 1 0 394.338 4.284 20 0 GIADRO C[C@H]([NH2+][C@@H](CCO)C1CCOCC1)c1cc2cc(Br)ccc2o1 ZINC000461110933 823579535 /nfs/dbraw/zinc/57/95/35/823579535.db2.gz SNTKIFXSOXOXNX-LRDDRELGSA-N 1 0 382.298 4.024 20 0 GIADRO COc1cc(NC(=O)CC[NH2+][C@H](C)c2cccc(F)c2F)c(OC)cc1Cl ZINC000411482366 823580099 /nfs/dbraw/zinc/58/00/99/823580099.db2.gz KRDAYKXXHPREFO-LLVKDONJSA-N 1 0 398.837 4.315 20 0 GIADRO CC[C@@H]([NH2+]CCC(=O)N[C@@H](c1cccs1)c1ccccc1)C1CCOCC1 ZINC000411484415 823580187 /nfs/dbraw/zinc/58/01/87/823580187.db2.gz XYWNLVXRTWQSIJ-DENIHFKCSA-N 1 0 386.561 4.139 20 0 GIADRO CC(C)(C)[C@@H](COc1ccccc1F)[NH2+]Cc1nc2ccsc2c(=O)[nH]1 ZINC000411493654 823581103 /nfs/dbraw/zinc/58/11/03/823581103.db2.gz SLYKVORKAGDICF-OAHLLOKOSA-N 1 0 375.469 4.119 20 0 GIADRO CC(C)[NH+]1CCN(c2ccc(C(=O)NCc3csc4ccccc34)cc2)CC1 ZINC000061161821 823581404 /nfs/dbraw/zinc/58/14/04/823581404.db2.gz FENPRKVXGPCUPM-UHFFFAOYSA-N 1 0 393.556 4.362 20 0 GIADRO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)Nc2ccc(OC(C)(C)C)cc2)C1 ZINC000190503741 823581705 /nfs/dbraw/zinc/58/17/05/823581705.db2.gz JGVFBRCVMMQJLM-LJQANCHMSA-N 1 0 396.535 4.245 20 0 GIADRO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C[N@@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000411498752 823581739 /nfs/dbraw/zinc/58/17/39/823581739.db2.gz BQLJNEFUQNSHGR-NUEKZKHPSA-N 1 0 382.451 4.340 20 0 GIADRO O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N1CCC[C@@H]1c1cccc(Cl)c1 ZINC000411501946 823581910 /nfs/dbraw/zinc/58/19/10/823581910.db2.gz VPQPSOMORDLLDS-RBUKOAKNSA-N 1 0 378.969 4.221 20 0 GIADRO CCC[C@H](NCc1ccc(C[NH+]2CCCCC2)cc1)c1nnc2ccccn21 ZINC000411511031 823582627 /nfs/dbraw/zinc/58/26/27/823582627.db2.gz HVUOGMXWZRVMDZ-NRFANRHFSA-N 1 0 377.536 4.346 20 0 GIADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)C1 ZINC000124270418 823582705 /nfs/dbraw/zinc/58/27/05/823582705.db2.gz WLRAXZFKPXRIGJ-QGZVFWFLSA-N 1 0 389.540 4.131 20 0 GIADRO Cc1c(C[N@H+](C)Cc2ccccc2C(F)(F)F)c(=O)n(-c2ccccc2)n1C ZINC000124286716 823583838 /nfs/dbraw/zinc/58/38/38/823583838.db2.gz WKNISODWBCOAOI-UHFFFAOYSA-N 1 0 389.421 4.135 20 0 GIADRO CC[C@@H]([NH2+]CCC(=O)Nc1c(C)nn(-c2ccccc2)c1C)c1c(C)noc1C ZINC000411521480 823584238 /nfs/dbraw/zinc/58/42/38/823584238.db2.gz YRXLCJYZMDGPMW-LJQANCHMSA-N 1 0 395.507 4.163 20 0 GIADRO C[C@@H]1C[C@H](c2cccnc2)[N@H+](CCC(=O)Nc2ccccc2Br)C1 ZINC000411521717 823584326 /nfs/dbraw/zinc/58/43/26/823584326.db2.gz BZNUVZNCHBUARQ-RDTXWAMCSA-N 1 0 388.309 4.256 20 0 GIADRO COc1cc(NC(=O)CC[NH2+][C@H](C)c2c(C)cccc2C)cc(OC)c1OC ZINC000411527106 823584901 /nfs/dbraw/zinc/58/49/01/823584901.db2.gz NDMIGDRCECZVMA-MRXNPFEDSA-N 1 0 386.492 4.009 20 0 GIADRO Cc1ccc(C(C)(C)[NH2+]CCC(=O)Nc2ccc(Br)cc2)cn1 ZINC000411528853 823585073 /nfs/dbraw/zinc/58/50/73/823585073.db2.gz REDFBJMAIIWYCU-UHFFFAOYSA-N 1 0 376.298 4.006 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)NCc1ccccc1OC(F)F)c1ccccc1 ZINC000061228599 823585519 /nfs/dbraw/zinc/58/55/19/823585519.db2.gz DOIRMXXPJBAGSM-SFHVURJKSA-N 1 0 391.462 4.170 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)N2CCC(c3ccncc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000190552803 823585624 /nfs/dbraw/zinc/58/56/24/823585624.db2.gz KAXAKYWLAZLKDS-XXBNENTESA-N 1 0 392.547 4.024 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)c2cccc(NC(=O)[C@H]3C[C@H]3C)c2)cc1 ZINC000190578257 823587904 /nfs/dbraw/zinc/58/79/04/823587904.db2.gz RQXWTSVDTZBDJG-IERDGZPVSA-N 1 0 379.504 4.375 20 0 GIADRO Brc1ccc([C@@H]([NH2+]CCc2nnc3n2CCCCC3)C2CC2)s1 ZINC000190578547 823588031 /nfs/dbraw/zinc/58/80/31/823588031.db2.gz PSHPSLSGSWWYQD-KRWDZBQOSA-N 1 0 395.370 4.112 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)CCc2nnc(-c3ccccc3)o2)cc1 ZINC000190579870 823588100 /nfs/dbraw/zinc/58/81/00/823588100.db2.gz MBKQRBIIJQRUNW-UHFFFAOYSA-N 1 0 378.476 4.150 20 0 GIADRO Cn1cc([C@@H](NCc2ccc(C[NH+]3CCCCC3)cc2)c2ccc(F)cc2)cn1 ZINC000411560643 823588136 /nfs/dbraw/zinc/58/81/36/823588136.db2.gz YESWQTDYJHBLKF-DEOSSOPVSA-N 1 0 392.522 4.424 20 0 GIADRO FC(F)(F)CN1CC[C@H](C[NH2+][C@H](c2ccc(Br)s2)C2CC2)C1 ZINC000190588774 823588770 /nfs/dbraw/zinc/58/87/70/823588770.db2.gz JZYKGNDTLXRPNO-YGRLFVJLSA-N 1 0 397.304 4.436 20 0 GIADRO C[C@@H](CO)[N@H+](Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1)C1CCCC1 ZINC000411606116 823590307 /nfs/dbraw/zinc/59/03/07/823590307.db2.gz RRBYNJONSOTHEV-AWEZNQCLSA-N 1 0 383.517 4.189 20 0 GIADRO CCc1c(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)[nH]c(C)c1C(C)=O ZINC000061307420 823590867 /nfs/dbraw/zinc/59/08/67/823590867.db2.gz UQFVWEKGWAARJX-UHFFFAOYSA-N 1 0 399.560 4.198 20 0 GIADRO C[C@H]([NH2+]CCC(=O)N1CCc2sccc2C1)c1ccc(C(F)(F)F)cc1 ZINC000411617265 823591078 /nfs/dbraw/zinc/59/10/78/823591078.db2.gz LFPHNXGZLCVJID-ZDUSSCGKSA-N 1 0 382.451 4.393 20 0 GIADRO C[NH+](C)CCC1CCN(C(=O)c2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000124383151 823592122 /nfs/dbraw/zinc/59/21/22/823592122.db2.gz LLUBJWNGZJIOQY-UHFFFAOYSA-N 1 0 377.941 4.267 20 0 GIADRO Cc1ccc(-c2ncc(C(=O)NCc3ccccc3C[NH+](C)C)s2)c(C)c1 ZINC000061366928 823593496 /nfs/dbraw/zinc/59/34/96/823593496.db2.gz DZGQFKCEXWFTEW-UHFFFAOYSA-N 1 0 379.529 4.419 20 0 GIADRO COc1ccc(NC(=O)CC[NH2+][C@H](c2ccccc2)C(C)(C)CO)cc1Cl ZINC000411645658 823593585 /nfs/dbraw/zinc/59/35/85/823593585.db2.gz TZBQRVMHNNSJOE-HXUWFJFHSA-N 1 0 390.911 4.027 20 0 GIADRO CCCCOc1ccc(CNC(=O)N2CC[C@H](C[N@H+](C)CC)C2)cc1Cl ZINC000190641880 823594367 /nfs/dbraw/zinc/59/43/67/823594367.db2.gz YDZSZNCQBVUEJZ-QGZVFWFLSA-N 1 0 381.948 4.002 20 0 GIADRO CCOc1ccc(NC(=O)CC[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)cc2)cc1 ZINC000411651880 823594433 /nfs/dbraw/zinc/59/44/33/823594433.db2.gz SWZDOQAGLYBYOT-FPOVZHCZSA-N 1 0 388.895 4.187 20 0 GIADRO CCc1ccc([C@H](CNC(=O)Cc2ccc(OC(F)(F)F)cc2)[NH+](C)C)cc1 ZINC000061396538 823595154 /nfs/dbraw/zinc/59/51/54/823595154.db2.gz JWONWUADNZHLJU-IBGZPJMESA-N 1 0 394.437 4.109 20 0 GIADRO O=C(CC[N@@H+]1CC[C@H](OCc2ccncc2)C1)Nc1c(Cl)cccc1Cl ZINC000411660680 823595425 /nfs/dbraw/zinc/59/54/25/823595425.db2.gz BCUWOFVZUAZUHB-HNNXBMFYSA-N 1 0 394.302 4.008 20 0 GIADRO COc1ccc(CCCC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000061405600 823595605 /nfs/dbraw/zinc/59/56/05/823595605.db2.gz PRIDGCPSJVGHPS-UHFFFAOYSA-N 1 0 380.532 4.107 20 0 GIADRO O=C(CC[NH2+][C@@H]1CCCC[C@H]1OC(F)F)Nc1cc(Cl)ccc1Cl ZINC000411687374 823597066 /nfs/dbraw/zinc/59/70/66/823597066.db2.gz FWIYXQGVDSQWBR-TZMCWYRMSA-N 1 0 381.250 4.462 20 0 GIADRO COc1ccc2cccc(CC(=O)NC3CC[NH+](Cc4ccccc4)CC3)c2c1 ZINC000124451204 823597855 /nfs/dbraw/zinc/59/78/55/823597855.db2.gz UXWBVFVJKACPSX-UHFFFAOYSA-N 1 0 388.511 4.172 20 0 GIADRO O=C(CC[NH2+][C@@H]1CCCC12CCOCC2)N[C@H](c1cccs1)c1ccccc1 ZINC000411699136 823597939 /nfs/dbraw/zinc/59/79/39/823597939.db2.gz YDAQYQCNSZPJOK-IRLDBZIGSA-N 1 0 398.572 4.283 20 0 GIADRO Cc1cccn2c(=O)cc(C[NH2+]C(C)(C)Cc3ccc(C(F)(F)F)cc3)nc12 ZINC000190686760 823598310 /nfs/dbraw/zinc/59/83/10/823598310.db2.gz IFRLTPOVFMZPKC-UHFFFAOYSA-N 1 0 389.421 4.133 20 0 GIADRO CCS[C@H]1CCC[C@H]1[NH2+]CCC(=O)Nc1ccc(Br)cc1F ZINC000411718480 823599505 /nfs/dbraw/zinc/59/95/05/823599505.db2.gz JRYJAOZOPOWCAM-CABCVRRESA-N 1 0 389.334 4.181 20 0 GIADRO CCO[C@H]1C[C@@H]([NH2+]Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)C12CCCC2 ZINC000411718005 823599537 /nfs/dbraw/zinc/59/95/37/823599537.db2.gz ITTAGQKRMONIMP-CVEARBPZSA-N 1 0 399.516 4.484 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)c2cc(-c3ccccc3)nc3onc(C)c32)CC1 ZINC000461212138 823599558 /nfs/dbraw/zinc/59/95/58/823599558.db2.gz JOXIZRMMJJNFJH-UHFFFAOYSA-N 1 0 392.503 4.050 20 0 GIADRO C[NH+]1CCC(NC(=O)CS[C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000061497308 823599889 /nfs/dbraw/zinc/59/98/89/823599889.db2.gz NUSJUPCOEAIKBZ-OAQYLSRUSA-N 1 0 388.964 4.373 20 0 GIADRO CC[C@@H]([NH2+]CCC(=O)Nc1ccccc1Cl)c1ccc(OC)c(OC)c1 ZINC000411721224 823599929 /nfs/dbraw/zinc/59/99/29/823599929.db2.gz RTZXNNUFEPWRFW-MRXNPFEDSA-N 1 0 376.884 4.427 20 0 GIADRO Fc1cc(-c2ncco2)ccc1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000411724609 823600085 /nfs/dbraw/zinc/60/00/85/823600085.db2.gz YTGIQLWXQKBRAN-URVUXULASA-N 1 0 378.447 4.485 20 0 GIADRO CCOc1ccccc1NC(=O)CC[NH2+][C@@H]1CCC[C@H]1OCc1ccccc1 ZINC000411724183 823600144 /nfs/dbraw/zinc/60/01/44/823600144.db2.gz UCZHYANOPJVTSF-TZIWHRDSSA-N 1 0 382.504 4.141 20 0 GIADRO CN(Cc1c(F)c(F)c(Br)c(F)c1F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000411724721 823600186 /nfs/dbraw/zinc/60/01/86/823600186.db2.gz ZMEROMOSWOMRBA-ULKQDVFKSA-N 1 0 395.238 4.063 20 0 GIADRO CN(C(=O)CC[NH2+][C@H](CCO)c1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000411724173 823600206 /nfs/dbraw/zinc/60/02/06/823600206.db2.gz YMEKTGUCALNQLV-GOSISDBHSA-N 1 0 381.303 4.060 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)CC1 ZINC000461217345 823600312 /nfs/dbraw/zinc/60/03/12/823600312.db2.gz FZGQQGLZASRIMY-UHFFFAOYSA-N 1 0 398.934 4.423 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)CSCc2ccc(Cl)cc2Cl)CC1 ZINC000461216708 823600330 /nfs/dbraw/zinc/60/03/30/823600330.db2.gz KWTZNYQQDVWVCK-UHFFFAOYSA-N 1 0 389.392 4.465 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)[C@H](C)Oc2ccccc2Cc2ccccc2)CC1 ZINC000461218587 823600570 /nfs/dbraw/zinc/60/05/70/823600570.db2.gz OIYVDGWROQCPAL-FQEVSTJZSA-N 1 0 394.559 4.283 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)c2cc(Br)cc3ccccc32)CC1 ZINC000461218919 823600650 /nfs/dbraw/zinc/60/06/50/823600650.db2.gz IXTHUDMWSGBJJM-UHFFFAOYSA-N 1 0 389.337 4.454 20 0 GIADRO CC(C)(CO)[C@H]([NH2+]CCc1nc(-c2cccc(Cl)c2)no1)c1cccs1 ZINC000411737807 823601146 /nfs/dbraw/zinc/60/11/46/823601146.db2.gz QYHBDKNYUSOBLF-QGZVFWFLSA-N 1 0 391.924 4.343 20 0 GIADRO COC[C@H](NC(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C)c1cccc(Cl)c1 ZINC000461227910 823601615 /nfs/dbraw/zinc/60/16/15/823601615.db2.gz UFJMVANTNBBIQC-UIAACRFSSA-N 1 0 389.927 4.018 20 0 GIADRO CN1CC[C@@H]([NH2+]Cc2cc(-c3ccco3)on2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000411743268 823601701 /nfs/dbraw/zinc/60/17/01/823601701.db2.gz FIJDNPRMDGTDCS-VQIMIIECSA-N 1 0 375.831 4.262 20 0 GIADRO COC(=O)c1ccc(C[NH2+][C@H]2c3cccc(Br)c3CC2(C)C)nc1 ZINC000411753684 823602453 /nfs/dbraw/zinc/60/24/53/823602453.db2.gz CYIGAMUNKHNDHU-KRWDZBQOSA-N 1 0 389.293 4.044 20 0 GIADRO CCOc1ccccc1NC(=O)CC[NH2+][C@H](COC)c1cccc(Cl)c1 ZINC000411761409 823603182 /nfs/dbraw/zinc/60/31/82/823603182.db2.gz XVQBWOFDJOCQHJ-GOSISDBHSA-N 1 0 376.884 4.045 20 0 GIADRO COc1ccc(NC(=O)CC[NH2+][C@@H](C)[C@H]2OCCc3sccc32)cc1Cl ZINC000411761250 823603202 /nfs/dbraw/zinc/60/32/02/823603202.db2.gz USVUVDGVCUPCOE-HXPMCKFVSA-N 1 0 394.924 4.031 20 0 GIADRO C[C@@H]([NH2+]CCC(=O)Nc1cccc(C(F)(F)F)c1)[C@@H]1OCCc2sccc21 ZINC000411760062 823603238 /nfs/dbraw/zinc/60/32/38/823603238.db2.gz QXPVHVQBEVDHAL-XIKOKIGWSA-N 1 0 398.450 4.388 20 0 GIADRO CN(C(=O)c1ccc2ccccc2c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000124524171 823603329 /nfs/dbraw/zinc/60/33/29/823603329.db2.gz MFBHHNFQXDCRIO-RPWUZVMVSA-N 1 0 393.575 4.249 20 0 GIADRO COc1ccc(NC(=O)CC[NH+]2CCC(F)(c3ccccn3)CC2)cc1Cl ZINC000411765084 823603508 /nfs/dbraw/zinc/60/35/08/823603508.db2.gz IREYOWGOWKNYBT-UHFFFAOYSA-N 1 0 391.874 4.033 20 0 GIADRO c1c(C[NH2+]C[C@H]2COc3ccccc3C2)c(-c2cccnc2)nn1-c1ccccc1 ZINC000061556021 823603610 /nfs/dbraw/zinc/60/36/10/823603610.db2.gz ZUWWFEQCBHFSLS-IBGZPJMESA-N 1 0 396.494 4.275 20 0 GIADRO CC1CC[NH+](CCCNCc2cn(-c3ccccc3)nc2-c2ccncc2)CC1 ZINC000061558271 823603812 /nfs/dbraw/zinc/60/38/12/823603812.db2.gz BJXZCTPZWOQFCA-UHFFFAOYSA-N 1 0 389.547 4.146 20 0 GIADRO CCCCNC(=O)CC[NH2+]C(C)(C)c1nc(-c2ccccc2F)c(C)s1 ZINC000411775589 823604114 /nfs/dbraw/zinc/60/41/14/823604114.db2.gz SCLKOLBSORITTJ-UHFFFAOYSA-N 1 0 377.529 4.389 20 0 GIADRO CCn1c(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc2ccccc21 ZINC000061567328 823604305 /nfs/dbraw/zinc/60/43/05/823604305.db2.gz ZPMZFQABSABDHU-UHFFFAOYSA-N 1 0 381.545 4.365 20 0 GIADRO C[C@@H]1CCC[C@@](CNC(=O)CCc2ncc(-c3ccccc3F)o2)([NH+](C)C)C1 ZINC000124537816 823604603 /nfs/dbraw/zinc/60/46/03/823604603.db2.gz RLWIFDQGNPEGFF-OPAMFIHVSA-N 1 0 387.499 4.040 20 0 GIADRO Cc1cc(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)c(C)n1C1CC1 ZINC000061572347 823604614 /nfs/dbraw/zinc/60/46/14/823604614.db2.gz IACYPJVAHZBCAI-UHFFFAOYSA-N 1 0 383.561 4.283 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)c(CC(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)s1 ZINC000061570689 823604677 /nfs/dbraw/zinc/60/46/77/823604677.db2.gz ROVVCLURXMOIKT-IAGOWNOFSA-N 1 0 385.577 4.206 20 0 GIADRO Cc1c(NC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)cccc1C(=O)Nc1ccccc1 ZINC000411791998 823605141 /nfs/dbraw/zinc/60/51/41/823605141.db2.gz OAJBQBDJCNSJAI-NUJGCVRESA-N 1 0 379.504 4.447 20 0 GIADRO CCn1cc([C@@H](C)[NH2+]CCC(=O)Nc2ccc(OCc3ccccc3)cc2)cn1 ZINC000411795116 823605415 /nfs/dbraw/zinc/60/54/15/823605415.db2.gz DRAQVCGWFBTFNG-GOSISDBHSA-N 1 0 392.503 4.161 20 0 GIADRO Cc1cc(C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cc(C)c1OCc1cccnc1 ZINC000461255137 823605774 /nfs/dbraw/zinc/60/57/74/823605774.db2.gz BWKXKQJJJBMCTI-QFIPXVFZSA-N 1 0 395.547 4.224 20 0 GIADRO CCCn1c(C)c(C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c2cc(OC)ccc21 ZINC000461255432 823605928 /nfs/dbraw/zinc/60/59/28/823605928.db2.gz CVYPCBXBFNTLAW-SFHVURJKSA-N 1 0 385.552 4.315 20 0 GIADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000461257097 823606203 /nfs/dbraw/zinc/60/62/03/823606203.db2.gz LENQQXHPIKIQQS-GOSISDBHSA-N 1 0 389.927 4.260 20 0 GIADRO COc1cccc(Nc2ccccc2C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000461257102 823606269 /nfs/dbraw/zinc/60/62/69/823606269.db2.gz LETXTLXLPJOCPJ-LJQANCHMSA-N 1 0 381.520 4.385 20 0 GIADRO COc1cc(C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)ccc1OCCC(C)C ZINC000461258315 823606514 /nfs/dbraw/zinc/60/65/14/823606514.db2.gz PTHHQCHFVNYRQE-IBGZPJMESA-N 1 0 376.541 4.067 20 0 GIADRO CC1(C)[C@H]([NH2+]CCC(=O)NC(c2ccccc2)c2ccccc2)[C@@H]2CCCO[C@H]21 ZINC000411811459 823607137 /nfs/dbraw/zinc/60/71/37/823607137.db2.gz YCSDNOMKJNVCJA-TUACAJSNSA-N 1 0 392.543 4.076 20 0 GIADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000461261077 823607295 /nfs/dbraw/zinc/60/72/95/823607295.db2.gz WLXIKZLQWCEUEH-SFHVURJKSA-N 1 0 382.470 4.460 20 0 GIADRO CC[N@@H+]1CC[C@H](CNC(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)C1 ZINC000061646800 823607403 /nfs/dbraw/zinc/60/74/03/823607403.db2.gz FQQVKOGYUXBCPW-GFCCVEGCSA-N 1 0 398.359 4.117 20 0 GIADRO CCCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccccc1C[NH2+]CC ZINC000124577458 823608006 /nfs/dbraw/zinc/60/80/06/823608006.db2.gz ISBQMHFRLMHPKV-UHFFFAOYSA-N 1 0 378.476 4.023 20 0 GIADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)CCCc1ccc(Br)s1 ZINC000461263778 823608321 /nfs/dbraw/zinc/60/83/21/823608321.db2.gz MWTUUOXXJOHSHU-CQSZACIVSA-N 1 0 387.387 4.166 20 0 GIADRO C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000461264127 823608491 /nfs/dbraw/zinc/60/84/91/823608491.db2.gz NKWRNHVCBXIMCX-NQIIRXRSSA-N 1 0 395.547 4.177 20 0 GIADRO CC[C@@H](CNC(=O)Nc1ccc2c(c1)OC(C)(C)O2)[N@@H+]1CCc2ccccc2C1 ZINC000061722929 823608746 /nfs/dbraw/zinc/60/87/46/823608746.db2.gz BHLHRPSWGODJME-IBGZPJMESA-N 1 0 395.503 4.152 20 0 GIADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(C)(C)c1cccc(Br)c1 ZINC000461268543 823609346 /nfs/dbraw/zinc/60/93/46/823609346.db2.gz VBKGQBHJQVYXNS-KRWDZBQOSA-N 1 0 381.358 4.060 20 0 GIADRO CCOc1ccccc1Oc1ccc(C[NH2+]Cc2ccc(N(C)CC)nc2)cn1 ZINC000190790732 823609442 /nfs/dbraw/zinc/60/94/42/823609442.db2.gz QZPGLCNINLIJMS-UHFFFAOYSA-N 1 0 392.503 4.414 20 0 GIADRO CCC[C@@H]1C[C@H](C(=O)Nc2cc(C)cc(N3CC[NH+](C(C)C)CC3)c2)CCO1 ZINC000190799030 823610357 /nfs/dbraw/zinc/61/03/57/823610357.db2.gz FKUYXGGQRVCROJ-DENIHFKCSA-N 1 0 387.568 4.059 20 0 GIADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000461273473 823610419 /nfs/dbraw/zinc/61/04/19/823610419.db2.gz SHKRVUSQRRBPPY-GOSISDBHSA-N 1 0 391.968 4.339 20 0 GIADRO CN(C[C@@H]1OCCc2ccccc21)C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000411852588 823610939 /nfs/dbraw/zinc/61/09/39/823610939.db2.gz WUGHTEURFYHQRY-QHCPKHFHSA-N 1 0 378.516 4.059 20 0 GIADRO O=C(CC[NH2+][C@H](c1cccs1)C1(CO)CCC1)N[C@H]1CCCc2ccccc21 ZINC000411861462 823611279 /nfs/dbraw/zinc/61/12/79/823611279.db2.gz FDWVWDYWLDGZLN-SIKLNZKXSA-N 1 0 398.572 4.125 20 0 GIADRO CCOc1ccc([C@@H]2CCCN2C(=O)C[N@@H+]2CCSC3(CCC3)CC2)cc1 ZINC000411867542 823611524 /nfs/dbraw/zinc/61/15/24/823611524.db2.gz JEVOVDPIHRAQJV-FQEVSTJZSA-N 1 0 388.577 4.110 20 0 GIADRO CCc1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CCN(C)CC2)sc1C ZINC000124619713 823611632 /nfs/dbraw/zinc/61/16/32/823611632.db2.gz FDRSJGDAOKUISJ-VQTJNVASSA-N 1 0 391.625 4.028 20 0 GIADRO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CCc2c(ccc(Cl)c2Cl)C1 ZINC000411875547 823611910 /nfs/dbraw/zinc/61/19/10/823611910.db2.gz NAOLKQKEZNSQEX-OAHLLOKOSA-N 1 0 399.387 4.096 20 0 GIADRO O=C(C1CC[NH+](CCOc2ccc(Cl)cc2Cl)CC1)N1CCCCC1 ZINC000061761484 823612177 /nfs/dbraw/zinc/61/21/77/823612177.db2.gz VSCDVKWEOGBYEH-UHFFFAOYSA-N 1 0 385.335 4.097 20 0 GIADRO CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@@H](C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000411890537 823613324 /nfs/dbraw/zinc/61/33/24/823613324.db2.gz FDPPTMLQHDYIKC-PDSMFRHLSA-N 1 0 379.287 4.222 20 0 GIADRO CO[C@H]1c2ccccc2C[C@H]1[NH2+]CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000411896946 823613849 /nfs/dbraw/zinc/61/38/49/823613849.db2.gz SUKNBIINAZFGGI-MJGOQNOKSA-N 1 0 379.287 4.224 20 0 GIADRO Cc1cccc(C2(CNC(=O)C3CC[NH+]([C@H]4CCSC4)CC3)CCCC2)c1 ZINC000411904427 823614174 /nfs/dbraw/zinc/61/41/74/823614174.db2.gz LYTNSOUMDCMJNZ-NRFANRHFSA-N 1 0 386.605 4.141 20 0 GIADRO Cc1cc(-n2cccn2)ccc1NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000190834155 823614428 /nfs/dbraw/zinc/61/44/28/823614428.db2.gz FRLQYXZTOBWJFR-PMACEKPBSA-N 1 0 395.551 4.299 20 0 GIADRO C[NH+](C)CCN(Cc1ccccc1)C(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000190838058 823614620 /nfs/dbraw/zinc/61/46/20/823614620.db2.gz XMVLJGSLIZTFJK-UHFFFAOYSA-N 1 0 381.307 4.171 20 0 GIADRO COc1cccc([C@H](CNC(=O)Nc2cc(Cl)c(N)c(Cl)c2)[NH+](C)C)c1 ZINC000190838761 823614862 /nfs/dbraw/zinc/61/48/62/823614862.db2.gz IIUDSTLJVNYDGP-INIZCTEOSA-N 1 0 397.306 4.009 20 0 GIADRO CN(Cc1ccccc1F)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000061792400 823614927 /nfs/dbraw/zinc/61/49/27/823614927.db2.gz LLKYMHAQDHINCC-UHFFFAOYSA-N 1 0 387.524 4.081 20 0 GIADRO O=C(CC[N@@H+]1C[C@@H](O)C[C@@H]1c1ccccc1)Nc1c(Cl)cccc1Cl ZINC000411942303 823615399 /nfs/dbraw/zinc/61/53/99/823615399.db2.gz MCCITSLNBBTCRE-WMLDXEAASA-N 1 0 379.287 4.130 20 0 GIADRO COc1ccc(-c2nc(C[NH2+][C@H](C)[C@](C)(OC)C3CC3)cs2)cc1OC ZINC000411939889 823615407 /nfs/dbraw/zinc/61/54/07/823615407.db2.gz FVOOXBHUJGPEMM-XCLFUZPHSA-N 1 0 376.522 4.121 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)c2nnc(-c3ccc(C)o3)n2Cc2cccs2)C[C@H]1C ZINC000461318698 823616855 /nfs/dbraw/zinc/61/68/55/823616855.db2.gz NUBGKTDLGZFFOS-NVXWUHKLSA-N 1 0 399.564 4.265 20 0 GIADRO CO[C@@](C)([C@@H](C)[NH2+]Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C1CC1 ZINC000411970295 823616944 /nfs/dbraw/zinc/61/69/44/823616944.db2.gz MYUZKUPEANZYFJ-ASSNKEHSSA-N 1 0 383.517 4.357 20 0 GIADRO CO[C@](C)([C@H](C)[NH2+]CC(=O)Nc1cccc(CSc2ccccn2)c1)C1CC1 ZINC000411962283 823617125 /nfs/dbraw/zinc/61/71/25/823617125.db2.gz BCASSUVQTFLRCN-KSFYIVLOSA-N 1 0 399.560 4.106 20 0 GIADRO Cc1csc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c1Br ZINC000190858561 823617230 /nfs/dbraw/zinc/61/72/30/823617230.db2.gz UDXQHTICQAPPNM-OAHLLOKOSA-N 1 0 393.350 4.386 20 0 GIADRO CO[C@@](C)([C@@H](C)[NH2+]CCC(=O)N[C@@H](c1cccs1)c1ccccc1)C1CC1 ZINC000411973316 823617271 /nfs/dbraw/zinc/61/72/71/823617271.db2.gz RQTDDCKUGOCLCM-HVETUWLQSA-N 1 0 386.561 4.137 20 0 GIADRO CO[C@](C)([C@@H](C)[NH2+]CC(=O)Nc1cc(Cl)c(Cl)cc1Cl)C1CC1 ZINC000411970642 823617284 /nfs/dbraw/zinc/61/72/84/823617284.db2.gz NNLGMLYSDBJOCJ-JDNHERCYSA-N 1 0 379.715 4.379 20 0 GIADRO O=C(N[C@@H]1CCCC[C@H]1Cc1ccccc1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000411983653 823617987 /nfs/dbraw/zinc/61/79/87/823617987.db2.gz GFJLKUBFXMIKMP-FDFHNCONSA-N 1 0 386.605 4.122 20 0 GIADRO O=C(C[C@@H](c1ccc(O)cc1)C1CC1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000411995428 823619194 /nfs/dbraw/zinc/61/91/94/823619194.db2.gz DGQRBLJTGQJQDO-WMZHIEFXSA-N 1 0 384.564 4.391 20 0 GIADRO COc1cc(C)c(C[NH2+]C2(c3ccc(F)cc3F)CCOCC2)cc1OC ZINC000124709167 823619525 /nfs/dbraw/zinc/61/95/25/823619525.db2.gz UZVWONWKSBZBHE-UHFFFAOYSA-N 1 0 377.431 4.086 20 0 GIADRO Cc1cc(C)c(Br)c(C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000461335462 823619656 /nfs/dbraw/zinc/61/96/56/823619656.db2.gz WSKVBSMOOGCCHU-INIZCTEOSA-N 1 0 381.358 4.164 20 0 GIADRO C[C@H](c1ccco1)N(C)C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000124711804 823619727 /nfs/dbraw/zinc/61/97/27/823619727.db2.gz XWKNWWWKINLVHO-QAPCUYQASA-N 1 0 375.900 4.473 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@H]2CCCc3c(O)cccc32)CC1 ZINC000190893364 823620796 /nfs/dbraw/zinc/62/07/96/823620796.db2.gz ZSTCZCVNLVTYNX-QFIPXVFZSA-N 1 0 393.531 4.042 20 0 GIADRO CC(=O)c1c(C)cc(C)c(C[NH2+][C@@H](c2ccccc2)C2(CO)CCOCC2)c1C ZINC000412003816 823621039 /nfs/dbraw/zinc/62/10/39/823621039.db2.gz ATRKMFKOKGZSQQ-DEOSSOPVSA-N 1 0 395.543 4.434 20 0 GIADRO OCC1([C@@H]([NH2+]Cc2cccc(C(F)(F)F)c2)c2ccccc2)CCOCC1 ZINC000412004178 823621079 /nfs/dbraw/zinc/62/10/79/823621079.db2.gz BSEGPUNLHRXWBZ-IBGZPJMESA-N 1 0 379.422 4.325 20 0 GIADRO O=C(C[NH2+][C@H](c1ccccc1)C1(CO)CCCCC1)Nc1c(F)cccc1F ZINC000412006409 823621572 /nfs/dbraw/zinc/62/15/72/823621572.db2.gz HNWVYQBPAQVQCR-OAQYLSRUSA-N 1 0 388.458 4.177 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@@H]1CCCc2c(O)cccc21 ZINC000190900376 823621743 /nfs/dbraw/zinc/62/17/43/823621743.db2.gz LWMSKTOGZBRMOT-OAQYLSRUSA-N 1 0 381.520 4.109 20 0 GIADRO COc1cc(F)cc(NC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000124733591 823621866 /nfs/dbraw/zinc/62/18/66/823621866.db2.gz HPMISMBVLDQCQI-JXFKEZNVSA-N 1 0 385.483 4.351 20 0 GIADRO CCOC(=O)c1ccc(C[NH2+][C@H](c2ccccc2)C2(CO)CCCCC2)nc1 ZINC000412012542 823622650 /nfs/dbraw/zinc/62/26/50/823622650.db2.gz XYJBRBKJOIVJMZ-OAQYLSRUSA-N 1 0 382.504 4.032 20 0 GIADRO COC1([C@@H](C)[NH2+]CCCC(=O)Nc2c(C)cc(Br)cc2C)CCC1 ZINC000412027510 823623451 /nfs/dbraw/zinc/62/34/51/823623451.db2.gz VOJCVJZMAJHASA-OAHLLOKOSA-N 1 0 397.357 4.332 20 0 GIADRO Cc1c([C@H](C)[NH2+]Cc2ccc(-n3cncn3)cc2)cnn1-c1cccc(Cl)c1 ZINC000124753221 823623445 /nfs/dbraw/zinc/62/34/45/823623445.db2.gz AJECLTYOAJOCTK-HNNXBMFYSA-N 1 0 392.894 4.266 20 0 GIADRO O[C@@H]1CC[C@@H]2C[N@H+](Cc3csc(-c4ccc(C(F)(F)F)cc4)n3)C[C@@H]2C1 ZINC000412047391 823624023 /nfs/dbraw/zinc/62/40/23/823624023.db2.gz VPTLBMPTTAPPKK-JKIFEVAISA-N 1 0 382.451 4.422 20 0 GIADRO CC(C)c1ccc(NC(=O)C(=O)NCc2cccc(C[NH+](C)C)c2)c(C(C)C)c1 ZINC000062206224 823624282 /nfs/dbraw/zinc/62/42/82/823624282.db2.gz NGCAXELBXQQVGP-UHFFFAOYSA-N 1 0 395.547 4.250 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)C(=O)NCCC1CCCCC1)C1CCCCC1 ZINC000062204719 823624309 /nfs/dbraw/zinc/62/43/09/823624309.db2.gz ASIGGUZOSCVSHJ-UHFFFAOYSA-N 1 0 399.579 4.476 20 0 GIADRO O[C@@H]1CC[C@@H]2C[N@H+](Cc3c(-c4ccc(Cl)cc4)nc4sccn34)C[C@@H]2C1 ZINC000412050511 823624312 /nfs/dbraw/zinc/62/43/12/823624312.db2.gz UEWPDJCBQWOXSI-HLLBOEOZSA-N 1 0 387.936 4.309 20 0 GIADRO Cc1cccc(C)c1OCCC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000062230362 823625045 /nfs/dbraw/zinc/62/50/45/823625045.db2.gz VCPGNVPWJWZVET-QFIPXVFZSA-N 1 0 380.532 4.101 20 0 GIADRO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1[nH]c2ccccc2c1Cl ZINC000062230037 823625123 /nfs/dbraw/zinc/62/51/23/823625123.db2.gz LLVOUSBTTHAWCA-QGZVFWFLSA-N 1 0 381.907 4.463 20 0 GIADRO Cc1ccc(C)c(OCCC(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000062231487 823625316 /nfs/dbraw/zinc/62/53/16/823625316.db2.gz FYPKDQCEUOTWHO-JOCHJYFZSA-N 1 0 380.532 4.101 20 0 GIADRO O=C(CCn1ccc2ccccc21)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000062231149 823625325 /nfs/dbraw/zinc/62/53/25/823625325.db2.gz UZAHQVKAJAKFRH-NRFANRHFSA-N 1 0 375.516 4.060 20 0 GIADRO C[C@@H]([NH2+]C1(CNC(=O)Cc2cccc(C3CC3)c2)CCOCC1)c1ccccc1 ZINC000412108005 823626981 /nfs/dbraw/zinc/62/69/81/823626981.db2.gz ADWIJAGSOKYWDU-LJQANCHMSA-N 1 0 392.543 4.123 20 0 GIADRO CCN(C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000124802704 823627386 /nfs/dbraw/zinc/62/73/86/823627386.db2.gz FNNCDSCBTHYJAR-GJZGRUSLSA-N 1 0 383.458 4.282 20 0 GIADRO CC(C)c1noc(CCC[NH2+]Cc2cc(Br)c(Cl)s2)n1 ZINC000190939521 823627397 /nfs/dbraw/zinc/62/73/97/823627397.db2.gz YFJFPWVNHPZVAU-UHFFFAOYSA-N 1 0 378.723 4.393 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C[C@@H](c1ccc(O)cc1)C1CC1 ZINC000412132436 823628821 /nfs/dbraw/zinc/62/88/21/823628821.db2.gz QCLDWWAJMQITOE-YADARESESA-N 1 0 392.543 4.399 20 0 GIADRO COCCC[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1ccc(Br)cc1 ZINC000124825327 823629229 /nfs/dbraw/zinc/62/92/29/823629229.db2.gz ZXYVLHVOAZAVAL-RTBURBONSA-N 1 0 396.300 4.379 20 0 GIADRO O=C(NCC[NH2+]Cc1ccccc1Oc1ccc(F)cc1Cl)c1ccco1 ZINC000461399620 823629688 /nfs/dbraw/zinc/62/96/88/823629688.db2.gz BLWBPWIFNYAQEN-UHFFFAOYSA-N 1 0 388.826 4.384 20 0 GIADRO Clc1ccc2oc(C3CC[NH+](CCI)CC3)nc2c1 ZINC000190956303 823630272 /nfs/dbraw/zinc/63/02/72/823630272.db2.gz UUSARVJPADCZJB-UHFFFAOYSA-N 1 0 390.652 4.096 20 0 GIADRO C[C@@H]1C[C@@H]1[C@@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)c1ccc(Cl)cc1 ZINC000412149860 823630464 /nfs/dbraw/zinc/63/04/64/823630464.db2.gz WNAOVBZYKRSXHP-FCDRMGDPSA-N 1 0 392.996 4.371 20 0 GIADRO COc1ccc([C@H](C)[NH2+]C[C@H](c2ccc(F)cc2)N(C)C)cc1Cn1cccn1 ZINC000124847787 823630745 /nfs/dbraw/zinc/63/07/45/823630745.db2.gz KPLXKPZKQMMKCS-HTAPYJJXSA-N 1 0 396.510 4.033 20 0 GIADRO CN(Cc1nc(C(F)(F)F)cs1)C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412153389 823630991 /nfs/dbraw/zinc/63/09/91/823630991.db2.gz GMDMTLHTLCQHOW-UHFFFAOYSA-N 1 0 397.466 4.420 20 0 GIADRO C[C@@H]1CCN(C(=O)C[C@@H](c2ccc(O)cc2)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000412155869 823631304 /nfs/dbraw/zinc/63/13/04/823631304.db2.gz KDPVMGMFVPRMKK-NTKDMRAZSA-N 1 0 392.543 4.399 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(N3CCCC3)cc2C)cc1 ZINC000124855646 823631417 /nfs/dbraw/zinc/63/14/17/823631417.db2.gz QAMHLFKDHCDUNR-SFHVURJKSA-N 1 0 381.520 4.283 20 0 GIADRO Cc1csc(C(=O)NCC2CC[NH+](CCC(C)C)CC2)c1Br ZINC000190964395 823631454 /nfs/dbraw/zinc/63/14/54/823631454.db2.gz KMUPRMYUTSIFEY-UHFFFAOYSA-N 1 0 387.387 4.307 20 0 GIADRO Cc1nc2ccc(NC(=O)N(CC[NH+](C)C)Cc3cccc(Cl)c3)cc2o1 ZINC000062385107 823631697 /nfs/dbraw/zinc/63/16/97/823631697.db2.gz VSADKUIYVWRHRR-UHFFFAOYSA-N 1 0 386.883 4.385 20 0 GIADRO O[C@@H](C[NH2+]Cc1ccccc1Oc1ccc(F)cc1Cl)C1CCOCC1 ZINC000461417974 823632224 /nfs/dbraw/zinc/63/22/24/823632224.db2.gz AIOBZWJCKLLMOF-SFHVURJKSA-N 1 0 379.859 4.149 20 0 GIADRO O=C(N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)C1(c2cccc(Cl)c2)CC1 ZINC000461421462 823632927 /nfs/dbraw/zinc/63/29/27/823632927.db2.gz CNXVXJXQXKIESL-WOJBJXKFSA-N 1 0 394.946 4.352 20 0 GIADRO Cc1ccc(CNC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)c(OC(C)(C)C)c1 ZINC000412176465 823632894 /nfs/dbraw/zinc/63/28/94/823632894.db2.gz QBGBRBVKRJJCNN-IBGZPJMESA-N 1 0 390.593 4.006 20 0 GIADRO Cc1ccc(CCCC(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000461421466 823633088 /nfs/dbraw/zinc/63/30/88/823633088.db2.gz COWHWOYTQAJGML-NHCUHLMSSA-N 1 0 382.573 4.360 20 0 GIADRO O=C(CCc1ccc2[nH]ccc2c1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461424427 823633761 /nfs/dbraw/zinc/63/37/61/823633761.db2.gz GJSZYAUPYYGYRD-DHIUTWEWSA-N 1 0 387.527 4.081 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1ccc(OC(F)F)cc1OC(F)F ZINC000124887272 823633910 /nfs/dbraw/zinc/63/39/10/823633910.db2.gz HVZFKLZBOFIDQD-MEBBXXQBSA-N 1 0 391.336 4.413 20 0 GIADRO Cc1ccccc1SCC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461425657 823633925 /nfs/dbraw/zinc/63/39/25/823633925.db2.gz HZKIWOOLFWNFIJ-SFTDATJTSA-N 1 0 380.557 4.068 20 0 GIADRO CC(C)CCOc1ccc(C[NH2+][C@H](C)c2cccc(NS(C)(=O)=O)c2)cc1 ZINC000062421183 823634733 /nfs/dbraw/zinc/63/47/33/823634733.db2.gz FKGIPLCYOXEATF-QGZVFWFLSA-N 1 0 390.549 4.334 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(Cl)ncc1Cl)c1cccc(OC)c1 ZINC000124900050 823635071 /nfs/dbraw/zinc/63/50/71/823635071.db2.gz FVHMNEDCAIWTOH-KRWDZBQOSA-N 1 0 396.318 4.210 20 0 GIADRO Cc1nn(Cc2ccccc2Cl)c(Cl)c1CNC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000062427017 823635135 /nfs/dbraw/zinc/63/51/35/823635135.db2.gz SFLNCLVDCTVBEJ-INIZCTEOSA-N 1 0 395.378 4.367 20 0 GIADRO C[C@H](OC1CCCCCC1)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461429943 823635368 /nfs/dbraw/zinc/63/53/68/823635368.db2.gz PPGUACJQRNENCE-ILWGZMRPSA-N 1 0 384.564 4.095 20 0 GIADRO Cc1ccc(C(=O)NC2CC[NH+](C[C@@H]3CCC4(CCCCC4)O3)CC2)s1 ZINC000190989109 823635455 /nfs/dbraw/zinc/63/54/55/823635455.db2.gz SAZDXOYCOKRJGJ-SFHVURJKSA-N 1 0 376.566 4.133 20 0 GIADRO O=C(C[C@@H](c1ccc(O)cc1)C1CC1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000412206950 823635681 /nfs/dbraw/zinc/63/56/81/823635681.db2.gz MQTIXQHDDDWYHQ-HSZRJFAPSA-N 1 0 384.564 4.391 20 0 GIADRO C[C@H](Oc1ccccc1Cl)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461431881 823635825 /nfs/dbraw/zinc/63/58/25/823635825.db2.gz UECNJUPDJSUUHK-SXLOBPIMSA-N 1 0 398.934 4.088 20 0 GIADRO CC(C)(C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)c1ccccc1F ZINC000461431943 823635868 /nfs/dbraw/zinc/63/58/68/823635868.db2.gz NRJIXGKSSAJYLY-WOJBJXKFSA-N 1 0 380.507 4.084 20 0 GIADRO Cc1ccc2cccc(C(=O)N3C[C@H]4CC[N@H+](Cc5ccccc5)C[C@@H]4C3)c2n1 ZINC000461432397 823635943 /nfs/dbraw/zinc/63/59/43/823635943.db2.gz TWDXADZKDJBBSH-FGZHOGPDSA-N 1 0 385.511 4.137 20 0 GIADRO CC[C@H](C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)c1ccc(OC)cc1 ZINC000461434425 823636588 /nfs/dbraw/zinc/63/65/88/823636588.db2.gz YWHQWNHYXBJBGQ-ZDXQCDESSA-N 1 0 392.543 4.169 20 0 GIADRO CCn1c(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc2ccccc21 ZINC000461434409 823636665 /nfs/dbraw/zinc/63/66/65/823636665.db2.gz YWAFPWJQOYVQFA-YADHBBJMSA-N 1 0 387.527 4.255 20 0 GIADRO CC(C)(C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)c1cccc(Br)c1 ZINC000461434814 823636674 /nfs/dbraw/zinc/63/66/74/823636674.db2.gz ZXLMYIPKXBLDHV-INIZCTEOSA-N 1 0 393.369 4.061 20 0 GIADRO C[N@@H+]1CCCN(C(=O)Nc2ccc(-c3ccc(Cl)cc3Cl)nc2)CC1 ZINC000191000553 823636834 /nfs/dbraw/zinc/63/68/34/823636834.db2.gz UQMCRDXCFZGDAP-UHFFFAOYSA-N 1 0 379.291 4.225 20 0 GIADRO CCCCc1ccc(C(=O)CCC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000461435584 823636846 /nfs/dbraw/zinc/63/68/46/823636846.db2.gz YMBCVVIYNPNJRC-NRFANRHFSA-N 1 0 384.564 4.327 20 0 GIADRO CC1(C)CC[C@H](CNC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)c2ccccc21 ZINC000412222349 823637010 /nfs/dbraw/zinc/63/70/10/823637010.db2.gz BXGJPUFOKSKBCG-MOPGFXCFSA-N 1 0 386.605 4.175 20 0 GIADRO C[C@H]1CCc2[nH]c3ccc(C(=O)N4CC[C@H](C[NH+]5CCCCC5)C4)cc3c2C1 ZINC000461437531 823637245 /nfs/dbraw/zinc/63/72/45/823637245.db2.gz HRUZBKQFWAKZGA-ZWKOTPCHSA-N 1 0 379.548 4.241 20 0 GIADRO C/C(=C/c1ccc(Cl)cc1)C[NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1 ZINC000461437899 823637249 /nfs/dbraw/zinc/63/72/49/823637249.db2.gz JMXULAKAHLZNBF-SSZFMOIBSA-N 1 0 390.936 4.073 20 0 GIADRO COc1cc(C2(C(=O)N3CC[C@H](C[NH+]4CCCCC4)C3)CCCC2)ccc1C ZINC000461439370 823637684 /nfs/dbraw/zinc/63/76/84/823637684.db2.gz QZOMMDQRBRUSTD-HXUWFJFHSA-N 1 0 384.564 4.150 20 0 GIADRO O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N1CC=C(c2ccccc2Cl)CC1 ZINC000412229506 823637728 /nfs/dbraw/zinc/63/77/28/823637728.db2.gz QGMZOTPVPCOZOV-SFHVURJKSA-N 1 0 390.980 4.173 20 0 GIADRO O=C(c1coc2cc(F)ccc12)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461439372 823637768 /nfs/dbraw/zinc/63/77/68/823637768.db2.gz QZRLYNCJGKRPMP-QZTJIDSGSA-N 1 0 378.447 4.166 20 0 GIADRO Cc1nn(-c2cccc(F)c2)cc1C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000412230790 823637920 /nfs/dbraw/zinc/63/79/20/823637920.db2.gz PAOGXPBRENLUHK-UHFFFAOYSA-N 1 0 392.478 4.210 20 0 GIADRO CCOc1cccc(CNC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)c1 ZINC000062484870 823637987 /nfs/dbraw/zinc/63/79/87/823637987.db2.gz QMFQEPAGUGAJHC-UHFFFAOYSA-N 1 0 389.927 4.012 20 0 GIADRO O=C(Cc1ccc(F)cc1Cl)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461440981 823638107 /nfs/dbraw/zinc/63/81/07/823638107.db2.gz DFYZZPUCYLCDNF-RTBURBONSA-N 1 0 386.898 4.002 20 0 GIADRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)NCCc1ccsc1 ZINC000062486414 823638221 /nfs/dbraw/zinc/63/82/21/823638221.db2.gz ZBWOFNJLNSQMKS-UHFFFAOYSA-N 1 0 399.482 4.083 20 0 GIADRO Cc1cc(N2CCC([NH2+]Cc3ccc(C(F)(F)F)cc3C)CC2)nc(C)n1 ZINC000191014927 823638335 /nfs/dbraw/zinc/63/83/35/823638335.db2.gz CAZVWELBAKQRGD-UHFFFAOYSA-N 1 0 378.442 4.179 20 0 GIADRO O=C(N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)C1(c2cccc(F)c2)CCC1 ZINC000461442249 823638492 /nfs/dbraw/zinc/63/84/92/823638492.db2.gz FGUYRXYWIVSFCV-NHCUHLMSSA-N 1 0 392.518 4.228 20 0 GIADRO COc1ccc2occ(C(=O)N3C[C@@H]4C[N@@H+](Cc5ccccc5)CC[C@@H]4C3)c2c1 ZINC000461442793 823638660 /nfs/dbraw/zinc/63/86/60/823638660.db2.gz FUCKKHOLGCOEQA-MOPGFXCFSA-N 1 0 390.483 4.036 20 0 GIADRO C[C@H](C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)c1c(F)cccc1F ZINC000461444522 823638823 /nfs/dbraw/zinc/63/88/23/823638823.db2.gz IYLINSRBPYHHKJ-WDSOQIARSA-N 1 0 384.470 4.049 20 0 GIADRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)NC[C@@H]1CC=CCC1 ZINC000062502759 823638917 /nfs/dbraw/zinc/63/89/17/823638917.db2.gz GLZCYURSCMJTCK-MRXNPFEDSA-N 1 0 383.458 4.135 20 0 GIADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000062500379 823638940 /nfs/dbraw/zinc/63/89/40/823638940.db2.gz MUAGUUOMGWHBHU-MSOLQXFVSA-N 1 0 382.552 4.177 20 0 GIADRO Cc1ccc2[nH]c(C(=O)N3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@@H]4C3)cc2c1C ZINC000461446743 823639471 /nfs/dbraw/zinc/63/94/71/823639471.db2.gz NLNZXPAKUXRPOC-LEWJYISDSA-N 1 0 387.527 4.379 20 0 GIADRO C[C@H](CCc1cccc(F)c1)C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461447274 823639676 /nfs/dbraw/zinc/63/96/76/823639676.db2.gz FRBAJPGATFGGFM-UEVCKROQSA-N 1 0 394.534 4.375 20 0 GIADRO COc1ccc(OC)c([C@@H](O)C[NH2+][C@@H](C)c2ccc(OC)c3ccccc32)c1 ZINC000124955766 823640232 /nfs/dbraw/zinc/64/02/32/823640232.db2.gz CGVMBBIHYHRHIA-BTYIYWSLSA-N 1 0 381.472 4.250 20 0 GIADRO O=C(CCc1cnc2ccccc2c1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461451823 823640571 /nfs/dbraw/zinc/64/05/71/823640571.db2.gz UAIXCMCQLYUMTJ-ZEQRLZLVSA-N 1 0 399.538 4.148 20 0 GIADRO C[C@H]1CCC[C@H](CC(=O)NC2CC[NH+](CCOc3ccc(F)cc3)CC2)C1 ZINC000461456188 823641481 /nfs/dbraw/zinc/64/14/81/823641481.db2.gz ILZKJSKQYXSBOC-ROUUACIJSA-N 1 0 376.516 4.002 20 0 GIADRO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000412266054 823641586 /nfs/dbraw/zinc/64/15/86/823641586.db2.gz YAQYUVFKLXLSND-ACESQOTJSA-N 1 0 398.616 4.389 20 0 GIADRO Cc1c2cccc(Cl)c2[nH]c1C(=O)N(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000412266882 823641603 /nfs/dbraw/zinc/64/16/03/823641603.db2.gz DYRZSOVKNNEEFD-KKSFZXQISA-N 1 0 396.922 4.290 20 0 GIADRO O=C([C@@H]1[C@@H](c2ccccc2)C1(F)F)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461457553 823641672 /nfs/dbraw/zinc/64/16/72/823641672.db2.gz VBUXECGSBAEDNA-YSFYHYPLSA-N 1 0 396.481 4.016 20 0 GIADRO Cc1cc(NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)cc(C)c1Br ZINC000412291282 823643290 /nfs/dbraw/zinc/64/32/90/823643290.db2.gz XUQZCNCKDJHFJV-MRXNPFEDSA-N 1 0 397.382 4.222 20 0 GIADRO CCC(=O)c1ccc(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000461472245 823643917 /nfs/dbraw/zinc/64/39/17/823643917.db2.gz VZPJTVZDZVRHPE-FQEVSTJZSA-N 1 0 378.516 4.311 20 0 GIADRO CC(C)[C@H](C(=O)OCc1ccccc1NC(=O)c1ccco1)[NH+]1CCCCC1 ZINC000125018902 823645529 /nfs/dbraw/zinc/64/55/29/823645529.db2.gz KSKTZFHFXPOGOB-HXUWFJFHSA-N 1 0 384.476 4.086 20 0 GIADRO Cc1ccc(-c2nnc(N3C[C@H]4CCC[N@H+]4C[C@H]3C)n2Cc2cccs2)s1 ZINC000461488937 823647181 /nfs/dbraw/zinc/64/71/81/823647181.db2.gz IQXDQVARHVTJLB-GDBMZVCRSA-N 1 0 399.589 4.098 20 0 GIADRO CCc1ccc([C@H]2CCCN(C(=O)C3CC[NH+]([C@@H]4CCSC4)CC3)C2)cc1 ZINC000412330963 823647225 /nfs/dbraw/zinc/64/72/25/823647225.db2.gz DCWBKUZNBIQDJS-FCHUYYIVSA-N 1 0 386.605 4.173 20 0 GIADRO COc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000412333605 823647585 /nfs/dbraw/zinc/64/75/85/823647585.db2.gz YNBIZYHCYYVUFG-QZNHQXDQSA-N 1 0 392.543 4.216 20 0 GIADRO CC[C@H](C)[NH2+][C@H](CNC(=O)c1sc(C)cc1Br)c1ccco1 ZINC000412336247 823647945 /nfs/dbraw/zinc/64/79/45/823647945.db2.gz OGZZNJBKPHNUIS-GXFFZTMASA-N 1 0 385.327 4.271 20 0 GIADRO Cn1ccnc1[C@@H](O)[C@@H]1CCC[N@H+](CCCCc2ccc(Cl)c(Cl)c2)C1 ZINC000191092572 823648006 /nfs/dbraw/zinc/64/80/06/823648006.db2.gz BOBINIRQFDJVOJ-APWZRJJASA-N 1 0 396.362 4.495 20 0 GIADRO Cn1ccnc1[C@@H](O)[C@H]1CCC[N@H+](CCCCc2ccc(Cl)c(Cl)c2)C1 ZINC000191092602 823648009 /nfs/dbraw/zinc/64/80/09/823648009.db2.gz BOBINIRQFDJVOJ-LPHOPBHVSA-N 1 0 396.362 4.495 20 0 GIADRO CC1CC[NH+]([C@@H](CNC(=O)CSCc2cscn2)c2cccs2)CC1 ZINC000125058551 823648881 /nfs/dbraw/zinc/64/88/81/823648881.db2.gz CGZONDODDIRIME-INIZCTEOSA-N 1 0 395.619 4.027 20 0 GIADRO COc1cccc(O[C@H](C)C[NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)c1 ZINC000125062413 823649152 /nfs/dbraw/zinc/64/91/52/823649152.db2.gz HRDYNCKDDUEVLQ-CVEARBPZSA-N 1 0 383.492 4.097 20 0 GIADRO COc1ccc(CC[C@H](C)NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000062931885 823649629 /nfs/dbraw/zinc/64/96/29/823649629.db2.gz KPVCAZMWTUAVCF-IBGZPJMESA-N 1 0 395.547 4.112 20 0 GIADRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)c1cc2cc(Cl)ccc2[nH]1 ZINC000063080422 823650407 /nfs/dbraw/zinc/65/04/07/823650407.db2.gz VVSXMXMCWJIQJT-UHFFFAOYSA-N 1 0 381.907 4.463 20 0 GIADRO Cc1ccccc1OCCCC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000063080529 823650448 /nfs/dbraw/zinc/65/04/48/823650448.db2.gz PBDCFYMBYBOKAF-UHFFFAOYSA-N 1 0 380.532 4.182 20 0 GIADRO COc1cccc([C@@H](C[NH2+][C@@H](C)c2cnn(C(C)(C)C)c2C)N2CCCC2)c1 ZINC000191117454 823650896 /nfs/dbraw/zinc/65/08/96/823650896.db2.gz JHWMVUBVIUTBSV-HTAPYJJXSA-N 1 0 384.568 4.443 20 0 GIADRO C[C@H](CC(F)F)C(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000412377677 823650911 /nfs/dbraw/zinc/65/09/11/823650911.db2.gz SKQSLBIKSJDEOE-UZLBHIALSA-N 1 0 378.507 4.427 20 0 GIADRO O=C(N[C@H](c1ccc(F)c(Cl)c1)C1CC1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412382081 823650973 /nfs/dbraw/zinc/65/09/73/823650973.db2.gz LHDIFWSTFBCCCC-LPHOPBHVSA-N 1 0 396.959 4.264 20 0 GIADRO COc1ccc(C[NH2+][C@H]2CCOc3c(F)cccc32)cc1OCc1cccnc1 ZINC000191120131 823651218 /nfs/dbraw/zinc/65/12/18/823651218.db2.gz VEAUTEDDKCFVLH-FQEVSTJZSA-N 1 0 394.446 4.422 20 0 GIADRO O=C(Nc1ccc(Cl)c(Cl)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000125108846 823652161 /nfs/dbraw/zinc/65/21/61/823652161.db2.gz HBAMRSAHTXTBOB-UHFFFAOYSA-N 1 0 378.303 4.282 20 0 GIADRO C[NH+](C)CC1CCC(NC(=O)N[C@H]2CCCc3cc(OC(F)F)ccc32)CC1 ZINC000125108160 823652204 /nfs/dbraw/zinc/65/22/04/823652204.db2.gz GMYYVKHAYFKZEZ-KJXMEXGPSA-N 1 0 395.494 4.085 20 0 GIADRO O=C(c1cccc(C[NH+]2CCCCC2)c1)N1CCOC[C@H]1c1ccc(F)cc1 ZINC000412391257 823652206 /nfs/dbraw/zinc/65/22/06/823652206.db2.gz LBPONZNCDQHZCR-QFIPXVFZSA-N 1 0 382.479 4.025 20 0 GIADRO CN(C(=S)NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCc2ccccc21 ZINC000063146937 823652801 /nfs/dbraw/zinc/65/28/01/823652801.db2.gz BDHPESMBJJVCFY-QFIPXVFZSA-N 1 0 379.573 4.145 20 0 GIADRO Cc1cccc([C@@H](NC(=O)NCc2cccc(C[NH+](C)C)c2)c2ccccn2)c1 ZINC000125119680 823652868 /nfs/dbraw/zinc/65/28/68/823652868.db2.gz WEQWBWONVGBBNA-HSZRJFAPSA-N 1 0 388.515 4.040 20 0 GIADRO CCOc1ccccc1CN(C)C(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000063149881 823653214 /nfs/dbraw/zinc/65/32/14/823653214.db2.gz HRWVYFDRIWMRMC-UHFFFAOYSA-N 1 0 397.588 4.056 20 0 GIADRO CC[C@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1c(C)noc1C ZINC000125132645 823653982 /nfs/dbraw/zinc/65/39/82/823653982.db2.gz SLUCXOIRUHHYSE-XPGWFJOJSA-N 1 0 384.524 4.095 20 0 GIADRO CCc1nc(NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)sc1C(C)(C)C ZINC000412427866 823654532 /nfs/dbraw/zinc/65/45/32/823654532.db2.gz QDKMWIRUDAZGHT-AWEZNQCLSA-N 1 0 381.611 4.159 20 0 GIADRO CC[NH+](CC)CCSCC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000461530663 823654721 /nfs/dbraw/zinc/65/47/21/823654721.db2.gz HHLYVQVFSIYKEV-UHFFFAOYSA-N 1 0 380.941 4.291 20 0 GIADRO C[C@@H]([NH2+]C[C@H](O)c1ccco1)c1ccc(Br)cc1Br ZINC000125173327 823656792 /nfs/dbraw/zinc/65/67/92/823656792.db2.gz OSIYSCQBTNLLCF-RNCFNFMXSA-N 1 0 389.087 4.189 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)c3ccc(C)cc3Cl)CC2)cc1 ZINC000191196242 823658457 /nfs/dbraw/zinc/65/84/57/823658457.db2.gz LQRSIRCMSKTPHF-UHFFFAOYSA-N 1 0 386.923 4.299 20 0 GIADRO COc1ccccc1C(C)(C)CNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000063274166 823658888 /nfs/dbraw/zinc/65/88/88/823658888.db2.gz MCUJFHFZNSIHDL-UHFFFAOYSA-N 1 0 380.532 4.001 20 0 GIADRO C[C@H](CC(=O)OC[C@@H]1CCC[N@H+](Cc2cc(F)ccc2F)C1)c1ccncc1 ZINC000125231080 823660749 /nfs/dbraw/zinc/66/07/49/823660749.db2.gz PSSRNCYPBWKQMW-IAGOWNOFSA-N 1 0 388.458 4.309 20 0 GIADRO O=C(CCc1ccccn1)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000461565354 823660925 /nfs/dbraw/zinc/66/09/25/823660925.db2.gz AUJLUOILMNKRQF-UHFFFAOYSA-N 1 0 377.532 4.062 20 0 GIADRO COc1ccc(C(=O)Nc2ccc(C[NH+](C)C)cc2F)cc1OC1CCCC1 ZINC000412559136 823662184 /nfs/dbraw/zinc/66/21/84/823662184.db2.gz MNYWAUKKASEHRQ-UHFFFAOYSA-N 1 0 386.467 4.470 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@H]2C)o1 ZINC000412560088 823662362 /nfs/dbraw/zinc/66/23/62/823662362.db2.gz ATDMVGJHLOZWGG-LAVFITLUSA-N 1 0 398.503 4.094 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)[C@H]1C[C@H]1c1ccccc1Cl ZINC000412561824 823662497 /nfs/dbraw/zinc/66/24/97/823662497.db2.gz FOLDJZXLKUOVQW-IRXDYDNUSA-N 1 0 388.895 4.031 20 0 GIADRO C[NH+](C)Cc1ccc(NC(=O)[C@H]2CCn3c(cnc3C3CCCCC3)C2)c(F)c1 ZINC000412561754 823662537 /nfs/dbraw/zinc/66/25/37/823662537.db2.gz VBGSBFZWCGZXFU-SFHVURJKSA-N 1 0 398.526 4.333 20 0 GIADRO Cc1nc(CCC(=O)Nc2ccc(C[NH+](C)C)cc2F)oc1-c1ccccc1 ZINC000412562290 823662543 /nfs/dbraw/zinc/66/25/43/823662543.db2.gz WEMSGCVUIWHNFF-UHFFFAOYSA-N 1 0 381.451 4.422 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)Cc1csc2ccccc12 ZINC000412563538 823662773 /nfs/dbraw/zinc/66/27/73/823662773.db2.gz LIUDJEOUMVNINA-UHFFFAOYSA-N 1 0 384.501 4.032 20 0 GIADRO CCN(c1ccc(C(=O)Nc2ccc(OCC[NH+](C)C)cc2OC)cc1)C(C)C ZINC000412565904 823662944 /nfs/dbraw/zinc/66/29/44/823662944.db2.gz SSFUZSMLNIVEDE-UHFFFAOYSA-N 1 0 399.535 4.123 20 0 GIADRO O=C(NC1CC[NH+](CC2CCCC2)CC1)N[C@H]1CCSc2c(F)cccc21 ZINC000063333128 823663448 /nfs/dbraw/zinc/66/34/48/823663448.db2.gz FEJKTFMIFPSNLF-IBGZPJMESA-N 1 0 391.556 4.316 20 0 GIADRO CCc1ccc2occ(C(=O)Nc3ccc(OCC[NH+](C)C)cc3OC)c2c1 ZINC000412572699 823663705 /nfs/dbraw/zinc/66/37/05/823663705.db2.gz MDKBCMBIQIIJDN-UHFFFAOYSA-N 1 0 382.460 4.197 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)c1cc2cc(C)ccc2s1 ZINC000412575358 823663841 /nfs/dbraw/zinc/66/38/41/823663841.db2.gz OQPHWKGFMLYQCC-UHFFFAOYSA-N 1 0 384.501 4.411 20 0 GIADRO Cc1cc(C(=O)N2CCC([N@@H+]3CCC[C@@H]3C)CC2)ccc1NC(=O)CC(C)C ZINC000125277265 823664331 /nfs/dbraw/zinc/66/43/31/823664331.db2.gz MMJNDLHSWWXYBC-SFHVURJKSA-N 1 0 385.552 4.069 20 0 GIADRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3ccc(OCC4CC4)cc3)ccc2NC1=O ZINC000191258798 823664410 /nfs/dbraw/zinc/66/44/10/823664410.db2.gz HNQZRTOYCFUBLM-VFNWGFHPSA-N 1 0 380.488 4.436 20 0 GIADRO Cc1ccc(C(=O)Nc2ccc(C(=O)N(C)[C@@H]3CCC[N@H+](C)C3)cc2)c(Cl)c1 ZINC000191261834 823664781 /nfs/dbraw/zinc/66/47/81/823664781.db2.gz XRMAZLBABRLSBR-GOSISDBHSA-N 1 0 399.922 4.067 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)Nc3ccc4c(c3)CCC4)CC2)cc1 ZINC000063389194 823666496 /nfs/dbraw/zinc/66/64/96/823666496.db2.gz WMBVWQKDZZYCTO-UHFFFAOYSA-N 1 0 393.531 4.218 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@H]2CCN(c3ccccc3Br)C2)cnn1C(C)C ZINC000191281110 823666942 /nfs/dbraw/zinc/66/69/42/823666942.db2.gz SNWVTQQNORPDSE-HOCLYGCPSA-N 1 0 391.357 4.464 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)N3C[C@@H](C)c4ccccc43)CC2)cc1 ZINC000063407351 823668897 /nfs/dbraw/zinc/66/88/97/823668897.db2.gz ZCDONOFWAQDSGQ-GOSISDBHSA-N 1 0 393.531 4.241 20 0 GIADRO OCC1CC[NH+](Cc2cccc(NCc3ccc(OCC4CC4)cc3)c2)CC1 ZINC000191303989 823669407 /nfs/dbraw/zinc/66/94/07/823669407.db2.gz DJPTWLKUJMGBQF-UHFFFAOYSA-N 1 0 380.532 4.292 20 0 GIADRO C[NH+](C)CC1CCC(NC(=O)N[C@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000125344009 823669452 /nfs/dbraw/zinc/66/94/52/823669452.db2.gz JVEFSMSJWCCUJH-PGEKIEPBSA-N 1 0 381.973 4.297 20 0 GIADRO CC(C)Oc1ccc([C@@H](O)C[NH2+][C@H](C)c2ccc(NC(=O)NC3CC3)cc2)cc1 ZINC000125384504 823672082 /nfs/dbraw/zinc/67/20/82/823672082.db2.gz VZYGWPHBCPIPDP-ZHRRBRCNSA-N 1 0 397.519 4.142 20 0 GIADRO CC(C)Oc1ccc([C@H](O)C[NH2+][C@H](C)c2ccc(NC(=O)NC3CC3)cc2)cc1 ZINC000125384267 823672108 /nfs/dbraw/zinc/67/21/08/823672108.db2.gz VZYGWPHBCPIPDP-OPAMFIHVSA-N 1 0 397.519 4.142 20 0 GIADRO CC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(OC(F)F)cc2)cc1 ZINC000125383555 823672127 /nfs/dbraw/zinc/67/21/27/823672127.db2.gz PXPLIMKOYRDUIW-OLZOCXBDSA-N 1 0 376.403 4.168 20 0 GIADRO CC(C)Oc1ccc([C@@H](O)C[NH2+][C@@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)cc1 ZINC000125392316 823672851 /nfs/dbraw/zinc/67/28/51/823672851.db2.gz OYGLAPLFFLWETH-BTYIYWSLSA-N 1 0 382.504 4.088 20 0 GIADRO C[C@H]1C[C@@H](c2ccccc2)C[C@@H](NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)C1 ZINC000412667902 823673310 /nfs/dbraw/zinc/67/33/10/823673310.db2.gz BEMWVTXOIYWEKO-XGARDCMYSA-N 1 0 386.605 4.293 20 0 GIADRO Cc1noc(C)c1[C@H](C)CC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000125412199 823674329 /nfs/dbraw/zinc/67/43/29/823674329.db2.gz RYHSTFVHYGLEPR-CQSZACIVSA-N 1 0 389.927 4.219 20 0 GIADRO CCC[N@H+](CC)C[C@H](C)NC(=O)Cc1csc(-c2ccc(Cl)s2)n1 ZINC000461644685 823674543 /nfs/dbraw/zinc/67/45/43/823674543.db2.gz DSBQCGLTNVGGSF-LBPRGKRZSA-N 1 0 385.986 4.304 20 0 GIADRO CCN(CCC[NH+](C)C)C(=O)Nc1cccc(C(=O)Nc2ccccc2)c1C ZINC000191347034 823674909 /nfs/dbraw/zinc/67/49/09/823674909.db2.gz QBDOZDVFBJTOJX-UHFFFAOYSA-N 1 0 382.508 4.053 20 0 GIADRO Cc1noc2nc(-c3ccc(C)cc3)cc(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c12 ZINC000461653346 823675484 /nfs/dbraw/zinc/67/54/84/823675484.db2.gz KQRDCWDBDMLZEW-MRXNPFEDSA-N 1 0 394.519 4.213 20 0 GIADRO C[C@@H]1CN(C(=O)CCCCC(=O)c2ccccc2)CCN1Cc1ccccc1 ZINC000412693358 823675728 /nfs/dbraw/zinc/67/57/28/823675728.db2.gz FRNGBXRCLGUGEE-HXUWFJFHSA-N 1 0 378.516 4.163 20 0 GIADRO CCS(=O)(=O)c1ccc2oc(C[NH2+][C@H]3CCC[C@H]3Cc3ccccc3)nc2c1 ZINC000191356077 823675952 /nfs/dbraw/zinc/67/59/52/823675952.db2.gz INICURHTMLTTSZ-HKUYNNGSSA-N 1 0 398.528 4.122 20 0 GIADRO COc1ccc([C@@H](C[NH2+]Cc2ccccc2OCC2CC2)N2CCCC2)cc1 ZINC000063507935 823676938 /nfs/dbraw/zinc/67/69/38/823676938.db2.gz QMONLOMSCFFLRO-HSZRJFAPSA-N 1 0 380.532 4.411 20 0 GIADRO COc1ccc([C@H](O)C[NH2+][C@H](C)c2sc(Cc3ccccc3)nc2C)cc1 ZINC000125451921 823677361 /nfs/dbraw/zinc/67/73/61/823677361.db2.gz DABRADASSOBUIX-FOIQADDNSA-N 1 0 382.529 4.435 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000191369477 823677703 /nfs/dbraw/zinc/67/77/03/823677703.db2.gz CPJXHSXZBSZSHZ-CTNGQTDRSA-N 1 0 382.504 4.288 20 0 GIADRO CC(C)Oc1ccccc1C[NH2+]C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000063548513 823678723 /nfs/dbraw/zinc/67/87/23/823678723.db2.gz IVYZQRZONMIVGW-KRWDZBQOSA-N 1 0 383.410 4.022 20 0 GIADRO CCOc1ccc(NC(=O)C[NH2+]Cc2ccc(SC(F)(F)F)cc2)cc1 ZINC000063559403 823679406 /nfs/dbraw/zinc/67/94/06/823679406.db2.gz FLTXFWXMIBKFKH-UHFFFAOYSA-N 1 0 384.423 4.426 20 0 GIADRO CC(C)N(C)c1ccc(CNc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)cn1 ZINC000191392431 823679909 /nfs/dbraw/zinc/67/99/09/823679909.db2.gz YOERLDFHUKPYKM-RTBURBONSA-N 1 0 382.552 4.148 20 0 GIADRO COc1ccc([C@H](O)C[NH2+][C@@H](C)c2ccc(SC(F)F)c(OC)c2)cc1 ZINC000125495146 823680697 /nfs/dbraw/zinc/68/06/97/823680697.db2.gz QNGNVSMKQIIOMB-BLLLJJGKSA-N 1 0 383.460 4.403 20 0 GIADRO COc1ccc([C@H](O)C[NH2+][C@H](C)c2ccc(SC(F)F)c(OC)c2)cc1 ZINC000125495410 823680706 /nfs/dbraw/zinc/68/07/06/823680706.db2.gz QNGNVSMKQIIOMB-MLGOLLRUSA-N 1 0 383.460 4.403 20 0 GIADRO Cc1ccc(N2CCC[C@@H]([NH2+][C@@H](C)c3cccc(N4CCOC4=O)c3)C2)cc1 ZINC000125498897 823681107 /nfs/dbraw/zinc/68/11/07/823681107.db2.gz NWOBISITWSNKJG-AZUAARDMSA-N 1 0 379.504 4.271 20 0 GIADRO CC[C@@H]1c2ccsc2CCN1C(=O)C[NH+]1CCC(OC2CCCCC2)CC1 ZINC000125501615 823681252 /nfs/dbraw/zinc/68/12/52/823681252.db2.gz VRFQWZXUSMWDLW-HXUWFJFHSA-N 1 0 390.593 4.398 20 0 GIADRO c1ccc(Oc2ccc(-c3noc([C@@H]4CCC[N@@H+]4C4CCOCC4)n3)cn2)cc1 ZINC000125503855 823681398 /nfs/dbraw/zinc/68/13/98/823681398.db2.gz ACLQRIKGHGRKLN-IBGZPJMESA-N 1 0 392.459 4.240 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000063594369 823681843 /nfs/dbraw/zinc/68/18/43/823681843.db2.gz BLRPGZFQJDCOSC-OAHLLOKOSA-N 1 0 385.439 4.038 20 0 GIADRO CCCC[N@H+](CC(=O)Nc1nc(-c2ccc(OC)cc2OC)cs1)C1CC1 ZINC000063615911 823683408 /nfs/dbraw/zinc/68/34/08/823683408.db2.gz SSLGZRFDDKKPKQ-UHFFFAOYSA-N 1 0 389.521 4.030 20 0 GIADRO CC(C)[N@H+](CCC(=O)N1CCOCC1)Cc1ccc(-c2cccc(F)c2)s1 ZINC000063614982 823683421 /nfs/dbraw/zinc/68/34/21/823683421.db2.gz WBOXQRQRDGHXKL-UHFFFAOYSA-N 1 0 390.524 4.014 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)Nc2ccc([C@@H](C)C(=O)OC)cc2)cc1)C1CC1 ZINC000412803713 823684116 /nfs/dbraw/zinc/68/41/16/823684116.db2.gz DTGUBCWYFGNRSX-MRXNPFEDSA-N 1 0 380.488 4.200 20 0 GIADRO CC(C)c1nn(CN2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)c(=S)n1C ZINC000125547973 823684327 /nfs/dbraw/zinc/68/43/27/823684327.db2.gz DATDSVGUDAVXPM-QGZVFWFLSA-N 1 0 379.618 4.008 20 0 GIADRO Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c12 ZINC000461710491 823685703 /nfs/dbraw/zinc/68/57/03/823685703.db2.gz ZGTITMHHSUUBOQ-CQSZACIVSA-N 1 0 398.482 4.043 20 0 GIADRO CC[C@H](c1ccncc1)N(C)C(=O)NC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000125567470 823686119 /nfs/dbraw/zinc/68/61/19/823686119.db2.gz WQLBQCKFPGRSIQ-RCZSKKKRSA-N 1 0 380.536 4.085 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1csc(-c2ccccc2F)n1)c1cccs1 ZINC000063662896 823687476 /nfs/dbraw/zinc/68/74/76/823687476.db2.gz ZPRCOOZNYOUQBW-HNNXBMFYSA-N 1 0 375.494 4.043 20 0 GIADRO C[C@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000063680109 823688977 /nfs/dbraw/zinc/68/89/77/823688977.db2.gz UBNQJUWQSZPIDU-SFHVURJKSA-N 1 0 384.495 4.285 20 0 GIADRO COCCOc1cccc(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)c1 ZINC000063680248 823688983 /nfs/dbraw/zinc/68/89/83/823688983.db2.gz MMNZOZWKVXNFGC-UHFFFAOYSA-N 1 0 396.531 4.018 20 0 GIADRO COc1cc(OC)cc(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)c1 ZINC000063679983 823689003 /nfs/dbraw/zinc/68/90/03/823689003.db2.gz YOUYZULAUFFVMV-UHFFFAOYSA-N 1 0 382.504 4.010 20 0 GIADRO C[C@@H](CC(=O)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1)C1CC1 ZINC000063686163 823689295 /nfs/dbraw/zinc/68/92/95/823689295.db2.gz CETNSVOGZONCFY-FQEVSTJZSA-N 1 0 391.559 4.061 20 0 GIADRO Brc1cccc([C@@H]([NH2+]CCc2ccccn2)C2CCOCC2)c1 ZINC000191485136 823689963 /nfs/dbraw/zinc/68/99/63/823689963.db2.gz CNNBHICPNBGDRP-IBGZPJMESA-N 1 0 375.310 4.144 20 0 GIADRO CCCn1ccnc1CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000191491361 823690564 /nfs/dbraw/zinc/69/05/64/823690564.db2.gz LTJOGTKMZBVNRT-AWEZNQCLSA-N 1 0 397.350 4.492 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+]CCc1nccn1Cc1ccccc1)CCS2 ZINC000191492942 823691031 /nfs/dbraw/zinc/69/10/31/823691031.db2.gz VLTOXUPWXCFZSI-HXUWFJFHSA-N 1 0 379.529 4.309 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(N3C[C@@H](C)O[C@@H](C)C3)nc1)CCS2 ZINC000191496158 823691396 /nfs/dbraw/zinc/69/13/96/823691396.db2.gz GGXOGMICNCNVDD-GQIGUUNPSA-N 1 0 399.560 4.031 20 0 GIADRO COc1ccc2c(c1)[C@@H]([NH2+][C@H](CN1CCCC1=O)c1ccccc1)CCS2 ZINC000191496993 823691578 /nfs/dbraw/zinc/69/15/78/823691578.db2.gz FFGAPPQMHWOJFU-VQTJNVASSA-N 1 0 382.529 4.185 20 0 GIADRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2ccccc2OCCOc2ccccc2)CC1 ZINC000063724018 823691752 /nfs/dbraw/zinc/69/17/52/823691752.db2.gz MJEPIKDWKRNYBR-UHFFFAOYSA-N 1 0 396.531 4.091 20 0 GIADRO CC(C)(C)[N@@H+]1CCCN(C(=O)CCc2ncc(-c3ccccc3Cl)o2)CC1 ZINC000063723866 823691771 /nfs/dbraw/zinc/69/17/71/823691771.db2.gz RNSJLUOSPHDIPD-UHFFFAOYSA-N 1 0 389.927 4.260 20 0 GIADRO Cc1cc(C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cc(C)c1OCc1cccnc1 ZINC000063723382 823691789 /nfs/dbraw/zinc/69/17/89/823691789.db2.gz IXFUTUSBYQHZNH-UHFFFAOYSA-N 1 0 395.547 4.224 20 0 GIADRO Cc1nc(C(F)(F)F)sc1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000461752555 823691825 /nfs/dbraw/zinc/69/18/25/823691825.db2.gz FKIBIOWSLFKMSR-UHFFFAOYSA-N 1 0 397.466 4.386 20 0 GIADRO CC(C)(C)[N@@H+]1CCCN(C(=O)CSc2cc(Cl)ccc2Cl)CC1 ZINC000063726063 823692156 /nfs/dbraw/zinc/69/21/56/823692156.db2.gz PJCIOHIUJSKKPX-UHFFFAOYSA-N 1 0 375.365 4.418 20 0 GIADRO C[C@@H](C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)c1cccc(Br)c1 ZINC000461757423 823692373 /nfs/dbraw/zinc/69/23/73/823692373.db2.gz RBYRYXSZAOTVIY-FZKQIMNGSA-N 1 0 393.300 4.111 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+]C1CCN(C(=O)c3ccccc3)CC1)CCS2 ZINC000191503533 823692489 /nfs/dbraw/zinc/69/24/89/823692489.db2.gz OAHMGZOIMQQMNZ-HXUWFJFHSA-N 1 0 382.529 4.127 20 0 GIADRO CC[N@H+](Cc1cc2c(cc1O)OCO2)Cc1cc(Br)ccc1F ZINC000063729831 823692531 /nfs/dbraw/zinc/69/25/31/823692531.db2.gz YPWZGAATSJUKTF-UHFFFAOYSA-N 1 0 382.229 4.045 20 0 GIADRO O=C(c1cc(-c2ccccc2F)on1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000063745563 823693113 /nfs/dbraw/zinc/69/31/13/823693113.db2.gz OCOMDSOXGXYXBD-UHFFFAOYSA-N 1 0 385.483 4.209 20 0 GIADRO c1cc2c(ncnc2N2CC[NH+](Cc3cccc(-c4ccccn4)c3)CC2)s1 ZINC000125654401 823693912 /nfs/dbraw/zinc/69/39/12/823693912.db2.gz ZEOMLLBEISPIMC-UHFFFAOYSA-N 1 0 387.512 4.076 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)Cc2csc(Cc3ccccc3)n2)C1 ZINC000063758642 823693968 /nfs/dbraw/zinc/69/39/68/823693968.db2.gz JUBNWWWOAZHYRS-KDURUIRLSA-N 1 0 399.604 4.151 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+]CC1CCN(C(=O)c3ccccc3)CC1)CCS2 ZINC000191516895 823694408 /nfs/dbraw/zinc/69/44/08/823694408.db2.gz WJYHWOIRWIHSIW-OAQYLSRUSA-N 1 0 396.556 4.374 20 0 GIADRO CC(C)(CO)CCC[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000191518177 823694584 /nfs/dbraw/zinc/69/45/84/823694584.db2.gz IBYATFBHQNEGPJ-GOSISDBHSA-N 1 0 384.358 4.305 20 0 GIADRO COc1ccc(C(C)(C)C[NH2+][C@@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)cc1 ZINC000063774564 823694895 /nfs/dbraw/zinc/69/48/95/823694895.db2.gz GRELXHWRZCFZLQ-ZDUSSCGKSA-N 1 0 385.533 4.238 20 0 GIADRO CC(C)[N@H+](C)CCCNC(=O)c1ccccc1CSc1nc2ccccc2[nH]1 ZINC000063782538 823695558 /nfs/dbraw/zinc/69/55/58/823695558.db2.gz FRZAWFRXDPLARZ-UHFFFAOYSA-N 1 0 396.560 4.315 20 0 GIADRO CC(C)[N@H+](C)CCCNC(=O)c1ccccc1SCc1cn2ccccc2n1 ZINC000063782545 823695604 /nfs/dbraw/zinc/69/56/04/823695604.db2.gz UFNYSMZJPFJGRH-UHFFFAOYSA-N 1 0 396.560 4.087 20 0 GIADRO CC[C@@H]([NH2+]Cc1ccc(C)nc1-n1cc(Cl)cn1)c1ccc2c(c1)CCO2 ZINC000191532607 823696524 /nfs/dbraw/zinc/69/65/24/823696524.db2.gz YVSXMPTVUAXZTK-LJQANCHMSA-N 1 0 382.895 4.405 20 0 GIADRO C[C@@H](O)CC(C)(C)C[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000191533120 823696720 /nfs/dbraw/zinc/69/67/20/823696720.db2.gz OOMUKJFCGMRINE-RDTXWAMCSA-N 1 0 384.358 4.304 20 0 GIADRO O=C1C[C@]2(CN1)CCC[N@@H+](Cc1ccccc1Oc1ccc(F)cc1Cl)C2 ZINC000461801264 823697375 /nfs/dbraw/zinc/69/73/75/823697375.db2.gz LRRVKDRQOXQXBY-NRFANRHFSA-N 1 0 388.870 4.374 20 0 GIADRO CCC(CC)(CO)C[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000191537421 823697356 /nfs/dbraw/zinc/69/73/56/823697356.db2.gz ZHXWIBLUSYIGNX-SFHVURJKSA-N 1 0 384.358 4.305 20 0 GIADRO COc1cccc(CCNC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)c1 ZINC000063799252 823697958 /nfs/dbraw/zinc/69/79/58/823697958.db2.gz FKOWTUJGWUHGMW-UHFFFAOYSA-N 1 0 395.547 4.113 20 0 GIADRO COCc1ccc(C[NH2+][C@@H](C)c2ccc(OCc3ccncc3)c(OC)c2)o1 ZINC000125706621 823698637 /nfs/dbraw/zinc/69/86/37/823698637.db2.gz XWRSJSKZFDSDKY-INIZCTEOSA-N 1 0 382.460 4.259 20 0 GIADRO O=C(CC[NH+]1CCC(OCCc2ccccc2)CC1)Nc1ccccc1Cl ZINC000125714448 823699437 /nfs/dbraw/zinc/69/94/37/823699437.db2.gz YAHQVWYPVLFCBA-UHFFFAOYSA-N 1 0 386.923 4.392 20 0 GIADRO CC[C@H](C(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1)[NH+](C)C ZINC000163297166 823700192 /nfs/dbraw/zinc/70/01/92/823700192.db2.gz VYAKUZJZLAPZFD-QGZVFWFLSA-N 1 0 393.409 4.236 20 0 GIADRO Cc1cc(C)cc(-c2nnc(NC(=O)N3CC[C@@H](C[NH+]4CCCCC4)C3)s2)c1 ZINC000163302581 823700404 /nfs/dbraw/zinc/70/04/04/823700404.db2.gz GOMDDFUGQMYBKO-KRWDZBQOSA-N 1 0 399.564 4.162 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)[C@H](C)C(=O)Nc3cc(C)ccc3C)C2)s1 ZINC000574320385 823702260 /nfs/dbraw/zinc/70/22/60/823702260.db2.gz PDVNSFUQGTZBKA-UXHICEINSA-N 1 0 399.604 4.454 20 0 GIADRO O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)c1ccccc1CC1CC[NH2+]CC1 ZINC000574324305 823702892 /nfs/dbraw/zinc/70/28/92/823702892.db2.gz CJRRBQCTDMIJPD-QFIPXVFZSA-N 1 0 394.515 4.039 20 0 GIADRO CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F ZINC000163354906 823703557 /nfs/dbraw/zinc/70/35/57/823703557.db2.gz YZQWINRSMJSYLU-BBRMVZONSA-N 1 0 385.430 4.161 20 0 GIADRO COc1cc(OC)cc([C@H]([NH2+][C@H]2CC[C@H](c3ccccc3)C2)c2nccn2C)c1 ZINC000125750275 823703863 /nfs/dbraw/zinc/70/38/63/823703863.db2.gz PQTCTRMYESVYOL-LEDOBFOHSA-N 1 0 391.515 4.453 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1)c1cccc(N2CCOC2=O)c1 ZINC000163371672 823704538 /nfs/dbraw/zinc/70/45/38/823704538.db2.gz VLQUWYVHDKHQIU-MAUKXSAKSA-N 1 0 385.895 4.226 20 0 GIADRO C[C@@H]([NH2+]CCCO[C@@H](C)c1ccccc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000163377980 823705091 /nfs/dbraw/zinc/70/50/91/823705091.db2.gz RSFOAYLBPMNUGY-CVEARBPZSA-N 1 0 379.497 4.048 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3cccc(Cl)c3)C2)cc1NC(C)=O ZINC000163381206 823705332 /nfs/dbraw/zinc/70/53/32/823705332.db2.gz NWKPMEKOXAWGCU-KBXCAEBGSA-N 1 0 387.911 4.237 20 0 GIADRO CS(=O)(=O)Cc1ccc(C[NH2+][C@@H]2CCCCc3ccc(Cl)cc32)cc1 ZINC000125760468 823705390 /nfs/dbraw/zinc/70/53/90/823705390.db2.gz ZCHVGLBBLHVPJW-HXUWFJFHSA-N 1 0 377.937 4.442 20 0 GIADRO COCC1CCC(NC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)CC1 ZINC000413092579 823705673 /nfs/dbraw/zinc/70/56/73/823705673.db2.gz GPIDOKWFMNCRRU-FLPIEVNYSA-N 1 0 387.568 4.065 20 0 GIADRO C[C@@H]1CN(C(=O)c2ccccc2C(=O)c2ccc(F)cc2)CC[N@@H+](C2CCC2)C1 ZINC000574347617 823706166 /nfs/dbraw/zinc/70/61/66/823706166.db2.gz ZRNOWDBFCFHWNQ-KRWDZBQOSA-N 1 0 394.490 4.003 20 0 GIADRO C[C@H]1CCC[N@H+](CCCCNC(=O)N2CC3(CCOCC3)[C@@H]2c2ccccc2)C1 ZINC000413098851 823706726 /nfs/dbraw/zinc/70/67/26/823706726.db2.gz ATSQRKPYENXBBT-UNMCSNQZSA-N 1 0 399.579 4.062 20 0 GIADRO C[NH+](C)Cc1ccsc1C(=O)NC[C@@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000574352521 823706812 /nfs/dbraw/zinc/70/68/12/823706812.db2.gz WRTHKMXBBYOTDQ-GOSISDBHSA-N 1 0 392.952 4.361 20 0 GIADRO CCCN(C)c1ccc(C(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)cc1 ZINC000063898127 823707799 /nfs/dbraw/zinc/70/77/99/823707799.db2.gz ZRVBKUIEXDWSSW-QHCPKHFHSA-N 1 0 395.547 4.108 20 0 GIADRO C[NH+](C)C1(CNC(=O)c2ccc(N3CCc4ccccc4C3)cc2)CCCCC1 ZINC000063898121 823707895 /nfs/dbraw/zinc/70/78/95/823707895.db2.gz QKTJIMWREDSVLW-UHFFFAOYSA-N 1 0 391.559 4.244 20 0 GIADRO COCCCOc1cccc(C[NH2+]CC(C)(C)N2CCc3ccccc3C2)c1 ZINC000063903986 823708556 /nfs/dbraw/zinc/70/85/56/823708556.db2.gz ZIBFRGITUKLXTL-UHFFFAOYSA-N 1 0 382.548 4.028 20 0 GIADRO CCCCO[C@@H]1C[C@@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2OC(F)F)C1(C)C ZINC000574365792 823709791 /nfs/dbraw/zinc/70/97/91/823709791.db2.gz FWJBGJJQOOOVTF-IAOVAPTHSA-N 1 0 384.467 4.188 20 0 GIADRO COc1cc([C@H](C)[NH2+]C[C@H](Cc2ccccc2)C(C)C)ccc1S(C)(=O)=O ZINC000191603927 823709873 /nfs/dbraw/zinc/70/98/73/823709873.db2.gz WWXZCWTZGJTZGO-PXNSSMCTSA-N 1 0 389.561 4.264 20 0 GIADRO O=C(NCC1([NH+]2CCCCC2)CCCCC1)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000125788377 823710613 /nfs/dbraw/zinc/71/06/13/823710613.db2.gz CNWLQTLJWCDAOF-UHFFFAOYSA-N 1 0 398.551 4.345 20 0 GIADRO Cc1c([C@H](C)[NH2+]CCCOC[C@@H]2CCCO2)cnn1-c1cccc(Cl)c1 ZINC000163464826 823712280 /nfs/dbraw/zinc/71/22/80/823712280.db2.gz PZSATRUQNCKGHR-KXBFYZLASA-N 1 0 377.916 4.070 20 0 GIADRO CC(C)C[C@H](CNC(=O)N(C)Cc1cccc(O)c1)[NH2+][C@@H](C)c1ccccc1 ZINC000574376975 823713305 /nfs/dbraw/zinc/71/33/05/823713305.db2.gz SQSPZAQFTMAWFN-GHTZIAJQSA-N 1 0 383.536 4.299 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)COCc1ccc(Cl)cc1)c1ccc(OC(F)F)cc1 ZINC000125801177 823714352 /nfs/dbraw/zinc/71/43/52/823714352.db2.gz OJGRZXQBYHMIAW-CXAGYDPISA-N 1 0 385.838 4.170 20 0 GIADRO CS[C@@H](C)CC(=O)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000125806824 823715950 /nfs/dbraw/zinc/71/59/50/823715950.db2.gz UQWFMUBUUZIXSD-RDJZCZTQSA-N 1 0 388.499 4.041 20 0 GIADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)CCc1cc(Cl)ccc1Br ZINC000574387899 823716800 /nfs/dbraw/zinc/71/68/00/823716800.db2.gz UPVDCYOHPIBNCU-CXAGYDPISA-N 1 0 399.760 4.120 20 0 GIADRO COc1ccc(-c2nc3c(s2)[C@H]([NH2+]CCC(=O)N2CCCCC2)CCC3)cc1 ZINC000163516973 823717498 /nfs/dbraw/zinc/71/74/98/823717498.db2.gz SYCFTHGZXRGUIN-GOSISDBHSA-N 1 0 399.560 4.188 20 0 GIADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC3(CCOCC3)[C@H]2c2ccccc2)C1 ZINC000413157687 823717555 /nfs/dbraw/zinc/71/75/55/823717555.db2.gz AAIWUYPGDQFASK-TZIWHRDSSA-N 1 0 399.579 4.060 20 0 GIADRO CC(C)(C)NC(=O)C[NH2+][C@@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21 ZINC000125818759 823718580 /nfs/dbraw/zinc/71/85/80/823718580.db2.gz YQETVHFDTXFSPF-CQSZACIVSA-N 1 0 377.941 4.345 20 0 GIADRO C[C@H](C(=O)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1)[C@H]([NH3+])c1ccccc1 ZINC000574398154 823719677 /nfs/dbraw/zinc/71/96/77/823719677.db2.gz QNMUGMTUYFPYJI-DCPHZVHLSA-N 1 0 394.412 4.439 20 0 GIADRO CS(=O)(=O)Cc1ccc(C[NH2+][C@@H]2CCSc3c(Cl)cccc32)cc1 ZINC000125827822 823721797 /nfs/dbraw/zinc/72/17/97/823721797.db2.gz BOPLRLJHAAFBDU-QGZVFWFLSA-N 1 0 381.950 4.211 20 0 GIADRO C[C@@H]([NH2+]C1(CNC(=O)c2csc(Cl)c2)CCOCC1)c1ccccc1 ZINC000191651302 823724661 /nfs/dbraw/zinc/72/46/61/823724661.db2.gz OLEMDTHBPPYJDB-CQSZACIVSA-N 1 0 378.925 4.031 20 0 GIADRO Cn1ccnc1COc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C(C)(C)C2)cc1 ZINC000191659728 823725653 /nfs/dbraw/zinc/72/56/53/823725653.db2.gz WMJWANKEHQEXCO-QGZVFWFLSA-N 1 0 381.442 4.410 20 0 GIADRO Cc1ccc(-c2cnc(CCC(=O)NC[C@H]3CCC[N@@H+](CC(C)C)C3)o2)cc1 ZINC000163585626 823725750 /nfs/dbraw/zinc/72/57/50/823725750.db2.gz MPQSTCASKDOXIY-LJQANCHMSA-N 1 0 383.536 4.067 20 0 GIADRO CCOc1cc(CNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)ccc1OC ZINC000163609351 823727608 /nfs/dbraw/zinc/72/76/08/823727608.db2.gz WRZHHSAZWAZSSG-UHFFFAOYSA-N 1 0 396.531 4.012 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccccc1N1CCCCC1 ZINC000574435192 823728697 /nfs/dbraw/zinc/72/86/97/823728697.db2.gz OHIRBGOOHZTXQA-NZQKXSOJSA-N 1 0 391.559 4.317 20 0 GIADRO Fc1ccc(OC2CC[NH+](Cc3cccc(OCC(F)(F)F)c3)CC2)cn1 ZINC000191674598 823729277 /nfs/dbraw/zinc/72/92/77/823729277.db2.gz SQZNUBAGWLVUIW-UHFFFAOYSA-N 1 0 384.373 4.205 20 0 GIADRO CS(=O)(=O)Cc1ccccc1CNc1cc[nH+]c2cc(C(F)(F)F)ccc12 ZINC000125857851 823730594 /nfs/dbraw/zinc/73/05/94/823730594.db2.gz WESRTHGSXDGPEP-UHFFFAOYSA-N 1 0 394.418 4.410 20 0 GIADRO COC[C@]1(C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)OCCc2ccccc21 ZINC000574442491 823731137 /nfs/dbraw/zinc/73/11/37/823731137.db2.gz LMCGLUPVHGINBN-URXFXBBRSA-N 1 0 379.500 4.137 20 0 GIADRO CCOc1c(Cl)cc(C[NH2+]C[C@@]2(C)OCCc3sccc32)cc1OC ZINC000574442543 823731147 /nfs/dbraw/zinc/73/11/47/823731147.db2.gz MPAVPNVBACVMHN-LJQANCHMSA-N 1 0 381.925 4.387 20 0 GIADRO [NH3+]Cc1ccccc1OCC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000574443523 823731805 /nfs/dbraw/zinc/73/18/05/823731805.db2.gz NGEJOORFQXLAMG-QGZVFWFLSA-N 1 0 379.287 4.195 20 0 GIADRO Cc1ccc([C@H](OC[C@H](O)C[NH2+][C@@H]2CCO[C@H](C3CC3)C2)c2ccccc2)cc1 ZINC000574446146 823732322 /nfs/dbraw/zinc/73/23/22/823732322.db2.gz REQTUMSPNZIROZ-ZKGSSEMHSA-N 1 0 395.543 4.009 20 0 GIADRO C[C@H](CCc1ccco1)NC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000574447780 823733150 /nfs/dbraw/zinc/73/31/50/823733150.db2.gz SKNKGMBPHQVFBX-CTNGQTDRSA-N 1 0 383.536 4.202 20 0 GIADRO Cc1c([C@H](C)NC[C@@H]2CCC[N@@H+](C(C)C)C2)nnn1-c1ccc(Cl)cc1 ZINC000125877793 823734969 /nfs/dbraw/zinc/73/49/69/823734969.db2.gz AMSRPKWACPNNCD-RDJZCZTQSA-N 1 0 375.948 4.000 20 0 GIADRO CC(C)(CNC(=O)c1ccc(N2CCc3ccccc3C2)cc1)[NH+]1CCCCC1 ZINC000064022225 823734907 /nfs/dbraw/zinc/73/49/07/823734907.db2.gz CBILOBJCDZOXRZ-UHFFFAOYSA-N 1 0 391.559 4.244 20 0 GIADRO O=C(c1ccc(Oc2ccncc2)c(Cl)c1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000574455592 823735006 /nfs/dbraw/zinc/73/50/06/823735006.db2.gz FFRLBVZOCMSILV-LPHOPBHVSA-N 1 0 385.895 4.132 20 0 GIADRO O=C([C@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccccc1)c1ccccc1)N1CCCCC1 ZINC000191689351 823734972 /nfs/dbraw/zinc/73/49/72/823734972.db2.gz WSJNFVJOZHAKCS-ZRBLBEILSA-N 1 0 378.516 4.108 20 0 GIADRO CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+][C@H](C)CN(C)Cc2ccccc2)cc1 ZINC000574459735 823735509 /nfs/dbraw/zinc/73/55/09/823735509.db2.gz KIWXWLAXQSSVOV-RTBURBONSA-N 1 0 382.552 4.388 20 0 GIADRO Clc1sc(C[NH2+]C2CCN(c3ccccn3)CC2)cc1Br ZINC000191692219 823736069 /nfs/dbraw/zinc/73/60/69/823736069.db2.gz GYKANDQTUMPOPJ-UHFFFAOYSA-N 1 0 386.746 4.318 20 0 GIADRO FC(F)(F)CN1CC[C@@H](C[NH2+]Cc2cc(Br)c(Cl)s2)C1 ZINC000191693408 823736740 /nfs/dbraw/zinc/73/67/40/823736740.db2.gz GKOQVTBPOGKSLR-QMMMGPOBSA-N 1 0 391.684 4.138 20 0 GIADRO C[C@H](Oc1cccnc1NC(=O)N1CCC[C@@H]([NH+](C)C)CC1)c1ccccc1 ZINC000574467874 823738008 /nfs/dbraw/zinc/73/80/08/823738008.db2.gz RTLZJUZZHIVZLM-PKOBYXMFSA-N 1 0 382.508 4.170 20 0 GIADRO Cc1ccc(OC(F)F)c([C@H](C)[NH2+]Cc2cccc(CN3CCOCC3)c2)c1 ZINC000163692240 823738134 /nfs/dbraw/zinc/73/81/34/823738134.db2.gz IIKBCTRSRBXNEE-KRWDZBQOSA-N 1 0 390.474 4.279 20 0 GIADRO CCCN(CC[NH+](CC)CC)C(=O)Nc1ccc(OC)c(Br)c1 ZINC000461886982 823739106 /nfs/dbraw/zinc/73/91/06/823739106.db2.gz XQGQFEUNBJIDCK-UHFFFAOYSA-N 1 0 386.334 4.043 20 0 GIADRO C[C@H]([NH2+][C@H](CN1CCOCC1)c1ccccc1)c1cccc(OC(F)F)c1 ZINC000163700693 823739282 /nfs/dbraw/zinc/73/92/82/823739282.db2.gz LZJZGVKVUOQDOU-OXJNMPFZSA-N 1 0 376.447 4.012 20 0 GIADRO O=C(C(C1CC1)C1CC1)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000163708414 823740207 /nfs/dbraw/zinc/74/02/07/823740207.db2.gz RGUUHFSGMSAZAI-UHFFFAOYSA-N 1 0 380.454 4.176 20 0 GIADRO CSc1ccc([C@H](CNC(=O)[C@@H](C)c2c(F)cccc2F)[NH+](C)C)cc1 ZINC000574480156 823741503 /nfs/dbraw/zinc/74/15/03/823741503.db2.gz KTSZAKAAOGLNBB-UGSOOPFHSA-N 1 0 378.488 4.209 20 0 GIADRO CC(C)Oc1cccc(CNC(=O)C[N@H+](C)[C@H]2CC[C@@H](C(F)(F)F)CC2)c1 ZINC000574482829 823742815 /nfs/dbraw/zinc/74/28/15/823742815.db2.gz VNTZYLRLQSKHTL-CALCHBBNSA-N 1 0 386.458 4.143 20 0 GIADRO CC(=O)c1ccc2c(c1)CN(C(=O)NC1CC[NH+]([C@@H](C)c3ccccc3)CC1)C2 ZINC000413276988 823743831 /nfs/dbraw/zinc/74/38/31/823743831.db2.gz FYWFOODSCSZYAF-KRWDZBQOSA-N 1 0 391.515 4.140 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)Nc2cccc(Cl)c2Br)CC1 ZINC000191715384 823744706 /nfs/dbraw/zinc/74/47/06/823744706.db2.gz FTLLYJQCRQMMSY-UHFFFAOYSA-N 1 0 388.737 4.441 20 0 GIADRO COc1cccc(C2(CNC(=O)N3CCC[C@@H](C[NH+]4CCCCCC4)C3)CC2)c1 ZINC000461901112 823745273 /nfs/dbraw/zinc/74/52/73/823745273.db2.gz IJVTWPGCBLOBIS-FQEVSTJZSA-N 1 0 399.579 4.024 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)c1ccc(OC(F)(F)F)cc1 ZINC000163757619 823746022 /nfs/dbraw/zinc/74/60/22/823746022.db2.gz ORLSTTYHDZDATA-MRXNPFEDSA-N 1 0 394.437 4.268 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)c1cccc(OC(F)(F)F)c1 ZINC000163757254 823746146 /nfs/dbraw/zinc/74/61/46/823746146.db2.gz RZRKAIJNQUMGCI-INIZCTEOSA-N 1 0 394.437 4.268 20 0 GIADRO C[C@@H](C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(Br)c1 ZINC000461905326 823747404 /nfs/dbraw/zinc/74/74/04/823747404.db2.gz ZKPFCASYVFEEOS-IXDOHACOSA-N 1 0 395.385 4.427 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CN[C@H](C)c1nnn(-c2ccc(F)cc2)c1C ZINC000163779683 823748155 /nfs/dbraw/zinc/74/81/55/823748155.db2.gz RQJCMMLJKUUWBI-QGZVFWFLSA-N 1 0 395.526 4.407 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]Cc2cccc(OCC(=O)N(C)C)c2)c2ccccc12 ZINC000163783674 823748833 /nfs/dbraw/zinc/74/88/33/823748833.db2.gz OKXNALCMZSJSDC-QGZVFWFLSA-N 1 0 392.499 4.166 20 0 GIADRO COCCOCc1ccc(C(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000461907910 823749192 /nfs/dbraw/zinc/74/91/92/823749192.db2.gz ONDCNLHIMUGNJF-UHFFFAOYSA-N 1 0 396.531 4.334 20 0 GIADRO CCc1nn(C)c(CC)c1CC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000191731555 823750496 /nfs/dbraw/zinc/75/04/96/823750496.db2.gz MGOPZDQRQXXZMY-UHFFFAOYSA-N 1 0 396.579 4.491 20 0 GIADRO COc1ccc([C@@H](CNC(=O)Nc2c(C)cccc2F)[NH+]2CCCCC2)cc1 ZINC000461912121 823750908 /nfs/dbraw/zinc/75/09/08/823750908.db2.gz HRYXTHUOMBQHED-HXUWFJFHSA-N 1 0 385.483 4.491 20 0 GIADRO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]Cc1cccc(OCC(=O)N(C)C)c1 ZINC000163817441 823751341 /nfs/dbraw/zinc/75/13/41/823751341.db2.gz TVMFAPQVPIEHKD-AWEZNQCLSA-N 1 0 389.565 4.067 20 0 GIADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1cccc(Cl)c1Br ZINC000191737530 823752202 /nfs/dbraw/zinc/75/22/02/823752202.db2.gz KYIZXWHTXBCMSX-LBPRGKRZSA-N 1 0 388.737 4.441 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1ccc(SC(F)F)cc1 ZINC000163831146 823752583 /nfs/dbraw/zinc/75/25/83/823752583.db2.gz QKKGLGVNOWEIAA-AWEZNQCLSA-N 1 0 394.487 4.319 20 0 GIADRO Cc1cc(CN2CCSC[C@@H]2c2cnn(C)c2)ccc1Oc1cccnc1 ZINC000191739404 823752617 /nfs/dbraw/zinc/75/26/17/823752617.db2.gz WHUGTNBBJDIJFK-HXUWFJFHSA-N 1 0 380.517 4.206 20 0 GIADRO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+]([C@H](C)c3ccc(OC(F)F)cc3)C2)n1 ZINC000064142323 823754227 /nfs/dbraw/zinc/75/42/27/823754227.db2.gz FMNVGRXRBGIMOD-NVXWUHKLSA-N 1 0 389.446 4.403 20 0 GIADRO CCc1nc2ccc(Cl)cn2c1C(=O)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000461921557 823756611 /nfs/dbraw/zinc/75/66/11/823756611.db2.gz NPCFTXFQFMHRNB-UXLLHSPISA-N 1 0 388.943 4.028 20 0 GIADRO O=C(NC[C@@H](Cc1ccccc1)C(F)(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000574530856 823756880 /nfs/dbraw/zinc/75/68/80/823756880.db2.gz JFDMQYKHJKOECT-VQTJNVASSA-N 1 0 390.449 4.046 20 0 GIADRO COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)Cc1c(C)nn(-c2ccccn2)c1C ZINC000574534903 823757366 /nfs/dbraw/zinc/75/73/66/823757366.db2.gz DBLIUCADRJBOSK-QFIPXVFZSA-N 1 0 376.504 4.402 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@H](C)C(C)(C)c2ccccc2)ccc1S(C)(=O)=O ZINC000163894235 823757923 /nfs/dbraw/zinc/75/79/23/823757923.db2.gz MYHMLWZGJGSJPT-HZPDHXFCSA-N 1 0 375.534 4.116 20 0 GIADRO C[C@@H](CC(=O)NC1CC[NH+](CC2CC2)CC1)c1ccc(F)c(Br)c1 ZINC000461924007 823758031 /nfs/dbraw/zinc/75/80/31/823758031.db2.gz SBQYRNGBDJWUQQ-ZDUSSCGKSA-N 1 0 397.332 4.072 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1cnn(C)c1 ZINC000163914792 823760271 /nfs/dbraw/zinc/76/02/71/823760271.db2.gz GQAWMYBVIXMXSN-WDEREUQCSA-N 1 0 388.821 4.160 20 0 GIADRO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@@H](C)c1cnn(C)c1 ZINC000163914676 823760286 /nfs/dbraw/zinc/76/02/86/823760286.db2.gz GQAWMYBVIXMXSN-MNOVXSKESA-N 1 0 388.821 4.160 20 0 GIADRO Cc1ccc(C(=O)N[C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)c(Cl)c1 ZINC000191770711 823762237 /nfs/dbraw/zinc/76/22/37/823762237.db2.gz VURXKVWQAVIQMW-LJQANCHMSA-N 1 0 384.907 4.366 20 0 GIADRO C[C@H](Oc1ccccc1NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)C(F)(F)F ZINC000574551620 823762883 /nfs/dbraw/zinc/76/28/83/823762883.db2.gz HXKILLGAKWCIER-LSDHHAIUSA-N 1 0 387.446 4.354 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)N[C@H]1CCO[C@H](c2ccccc2)C1 ZINC000163948452 823764390 /nfs/dbraw/zinc/76/43/90/823764390.db2.gz PRPSJJFBZAJOKX-GOTSBHOMSA-N 1 0 393.531 4.002 20 0 GIADRO CCCC[NH+]1CCC(NC(=O)Nc2cc(Cl)ccc2O[C@@H](C)COC)CC1 ZINC000191777943 823765202 /nfs/dbraw/zinc/76/52/02/823765202.db2.gz GFCBRYBDKGFACJ-HNNXBMFYSA-N 1 0 397.947 4.140 20 0 GIADRO Clc1ccc([C@H](C[NH2+][C@@H]2CCCNc3ccccc32)N2CCOCC2)cc1 ZINC000574558994 823766418 /nfs/dbraw/zinc/76/64/18/823766418.db2.gz PUVDYKLDYMGHIJ-YADHBBJMSA-N 1 0 385.939 4.250 20 0 GIADRO O=C(C[C@H]1CCC[N@H+](C[C@H]2CCCCC2(F)F)C1)NCc1ccc(F)cc1 ZINC000574570866 823769518 /nfs/dbraw/zinc/76/95/18/823769518.db2.gz UAQSUQHFXPTAGD-QZTJIDSGSA-N 1 0 382.470 4.370 20 0 GIADRO Cc1ccc(-c2ccc(C)c(NC(=O)N3CCC[C@H]([NH+]4CCOCC4)CC3)c2)o1 ZINC000574581224 823771324 /nfs/dbraw/zinc/77/13/24/823771324.db2.gz DVGKSRDRRGRXKL-FQEVSTJZSA-N 1 0 397.519 4.282 20 0 GIADRO CC1CC[NH+](C2CCC(NC(=O)N3CCSC4(CCC4)CC3)CC2)CC1 ZINC000413411570 823771551 /nfs/dbraw/zinc/77/15/51/823771551.db2.gz WEGIEUHFVRJVRW-UHFFFAOYSA-N 1 0 379.614 4.101 20 0 GIADRO Cc1nn(C)c(C)c1CCC[NH2+]Cc1cc2cc(Br)ccc2o1 ZINC000574584804 823772085 /nfs/dbraw/zinc/77/20/85/823772085.db2.gz MBSKIKPNJRGKAR-UHFFFAOYSA-N 1 0 376.298 4.268 20 0 GIADRO Cc1cc(C[NH2+][C@@H]2CCC[C@H](N3CCCC3=O)C2)ccc1Oc1cccnc1 ZINC000574585522 823772128 /nfs/dbraw/zinc/77/21/28/823772128.db2.gz XTKQWSUTZXEOQZ-UXHICEINSA-N 1 0 379.504 4.206 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1ccccc1-n1ccnn1 ZINC000574591119 823773941 /nfs/dbraw/zinc/77/39/41/823773941.db2.gz HPDXVISSQUVTMR-CYFNAFFESA-N 1 0 386.858 4.241 20 0 GIADRO CN(C(=O)c1ccccc1NCc1ccccc1Cl)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000413427046 823775626 /nfs/dbraw/zinc/77/56/26/823775626.db2.gz LOOWPGZOGGRTRM-GOSISDBHSA-N 1 0 383.923 4.261 20 0 GIADRO CN(C)[C@H](C[NH2+]CCC(=O)Nc1cccc(Cl)c1)c1ccccc1Cl ZINC000574596950 823775647 /nfs/dbraw/zinc/77/56/47/823775647.db2.gz KNIVLSVCDQIIPO-GOSISDBHSA-N 1 0 380.319 4.215 20 0 GIADRO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000191807896 823776540 /nfs/dbraw/zinc/77/65/40/823776540.db2.gz XPJGGPBIAFKSSF-WBVHZDCISA-N 1 0 375.266 4.002 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)N(C)Cc2ccccc2N2CCCC2)c1 ZINC000064229987 823776574 /nfs/dbraw/zinc/77/65/74/823776574.db2.gz WBCYBEVAJSWUPR-UHFFFAOYSA-N 1 0 394.563 4.080 20 0 GIADRO C[NH+]1CCN(Cc2cccc(C(=O)N3CCC[C@H]3CC3CCCCC3)c2)CC1 ZINC000461970839 823777220 /nfs/dbraw/zinc/77/72/20/823777220.db2.gz NMJBOZYZHSZTMG-QHCPKHFHSA-N 1 0 383.580 4.009 20 0 GIADRO CCOCc1ccc(CNC(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1 ZINC000064237206 823777831 /nfs/dbraw/zinc/77/78/31/823777831.db2.gz HQWSTZCIIXZKOY-QHCPKHFHSA-N 1 0 395.547 4.168 20 0 GIADRO Cc1cccnc1C(C)(C)C[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000574608796 823779492 /nfs/dbraw/zinc/77/94/92/823779492.db2.gz GSNVNNHWZWZPPW-UHFFFAOYSA-N 1 0 387.321 4.496 20 0 GIADRO Cc1ccc(C(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)c(Cl)c1 ZINC000191814969 823779735 /nfs/dbraw/zinc/77/97/35/823779735.db2.gz WOCWIFUJMPIXDC-KRWDZBQOSA-N 1 0 386.923 4.278 20 0 GIADRO COc1cccc(C2(CNC(=O)N3CCC[C@H](C[N@@H+]4CCCC[C@H]4C)C3)CC2)c1 ZINC000461978420 823779884 /nfs/dbraw/zinc/77/98/84/823779884.db2.gz RQABKKMMQIOZMO-WOJBJXKFSA-N 1 0 399.579 4.023 20 0 GIADRO O=C(CC[N@H+]1CCC[C@H]1Cc1ccccc1Cl)N1CCc2sccc2C1 ZINC000064249598 823780422 /nfs/dbraw/zinc/78/04/22/823780422.db2.gz ASSQGDALHSXTRC-SFHVURJKSA-N 1 0 388.964 4.383 20 0 GIADRO CCCC[NH+]1CCC(NC(=O)C[C@H](C)c2ccc(F)c(Br)c2)CC1 ZINC000461986147 823783418 /nfs/dbraw/zinc/78/34/18/823783418.db2.gz SDQJRIOQHGNAGE-AWEZNQCLSA-N 1 0 399.348 4.463 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(Cc3ccccn3)ccc2C)C[C@@H]1C ZINC000574620482 823783779 /nfs/dbraw/zinc/78/37/79/823783779.db2.gz ORQAZXALHSPQJK-RXVVDRJESA-N 1 0 380.536 4.317 20 0 GIADRO CCCn1ccc2cc(NC(=O)c3cccc(CN4CC[NH+](C)CC4)c3)ccc21 ZINC000461988602 823784982 /nfs/dbraw/zinc/78/49/82/823784982.db2.gz YOXOQHRFEOOTHX-UHFFFAOYSA-N 1 0 390.531 4.051 20 0 GIADRO CC[C@H](C)n1ncc(C(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)c1C1CC1 ZINC000574630674 823786276 /nfs/dbraw/zinc/78/62/76/823786276.db2.gz MQKHMLOGRMTSTJ-YCRPNKLZSA-N 1 0 376.504 4.315 20 0 GIADRO Cc1nc(C(C)C)sc1[C@H](C)[NH2+][C@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000164236346 823788570 /nfs/dbraw/zinc/78/85/70/823788570.db2.gz SLQMORQKLMVCDT-OLZOCXBDSA-N 1 0 381.567 4.358 20 0 GIADRO C[C@H]([NH2+][C@H]1C[C@H](C)Sc2sccc21)c1cccc(NS(C)(=O)=O)c1 ZINC000164241446 823788621 /nfs/dbraw/zinc/78/86/21/823788621.db2.gz PPVGKEVTYALUTM-MKBNYLNASA-N 1 0 382.576 4.396 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)CC1 ZINC000064309984 823788940 /nfs/dbraw/zinc/78/89/40/823788940.db2.gz IVCPQIVEFFTBGU-UHFFFAOYSA-N 1 0 390.531 4.280 20 0 GIADRO C[C@@H](C(=O)NC1CC[NH+](CC2CCCC2)CC1)c1cccc(Br)c1 ZINC000461998459 823789097 /nfs/dbraw/zinc/78/90/97/823789097.db2.gz ZGWMHTKLYCSCFG-OAHLLOKOSA-N 1 0 393.369 4.323 20 0 GIADRO C[C@@H]([NH2+][C@@H]1C[C@H](C)Sc2sccc21)c1cccc(NS(C)(=O)=O)c1 ZINC000164241791 823789374 /nfs/dbraw/zinc/78/93/74/823789374.db2.gz PPVGKEVTYALUTM-HWWQOWPSSA-N 1 0 382.576 4.396 20 0 GIADRO Cc1cccc(C(=O)Nc2ccccc2C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000064311952 823789533 /nfs/dbraw/zinc/78/95/33/823789533.db2.gz VXTCMZSYVIFYHF-RBUKOAKNSA-N 1 0 393.531 4.098 20 0 GIADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000462001158 823790131 /nfs/dbraw/zinc/79/01/31/823790131.db2.gz GUPKHOHPHYTCPE-MJGOQNOKSA-N 1 0 399.539 4.094 20 0 GIADRO CCCC[C@@H]1CCC[C@@H]1[NH2+]Cc1nc(-c2cc(OC)c(OC)c(OC)c2)no1 ZINC000191833464 823790320 /nfs/dbraw/zinc/79/03/20/823790320.db2.gz UHSJCWICKIZKEH-ZBFHGGJFSA-N 1 0 389.496 4.211 20 0 GIADRO CC[C@@H]([NH2+][C@H](CCSC)c1nnc2ccccn21)c1ccc2c(c1)CCO2 ZINC000164252787 823790464 /nfs/dbraw/zinc/79/04/64/823790464.db2.gz OEUQMHGSQIOMHZ-QZTJIDSGSA-N 1 0 382.533 4.199 20 0 GIADRO CC(C)CN(C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1)[C@@H]1CCCc2cccnc21 ZINC000164259910 823790941 /nfs/dbraw/zinc/79/09/41/823790941.db2.gz PSJFUNJIBIVJDT-TZIWHRDSSA-N 1 0 386.584 4.105 20 0 GIADRO COC(=O)[C@H]1CC[N@H+](Cc2cc(-c3c(OC)ccc4ccccc43)no2)C[C@H]1C ZINC000191836246 823791486 /nfs/dbraw/zinc/79/14/86/823791486.db2.gz ADKIBPWCLNCKOV-QAPCUYQASA-N 1 0 394.471 4.134 20 0 GIADRO Cc1ccc(CN2CCOCC2)cc1NC(=O)c1cc(Cl)sc1Cl ZINC000126116334 823791731 /nfs/dbraw/zinc/79/17/31/823791731.db2.gz CPPTZQCUNYXMFJ-UHFFFAOYSA-N 1 0 385.316 4.448 20 0 GIADRO O=C(NC1CC([NH+]2CCCCC2)C1)N[C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000413523818 823791774 /nfs/dbraw/zinc/79/17/74/823791774.db2.gz YRQHXMGJOYFKJG-HSFDUWRESA-N 1 0 375.944 4.292 20 0 GIADRO O=C(Nc1cccc(COc2ccc(F)cc2)c1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000574664227 823794315 /nfs/dbraw/zinc/79/43/15/823794315.db2.gz LYVWIRIGYPEFKI-QFIPXVFZSA-N 1 0 383.467 4.012 20 0 GIADRO CC(C)N(Cc1cccc(Br)c1)C(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000462015228 823795192 /nfs/dbraw/zinc/79/51/92/823795192.db2.gz NHUUBNGTTUSPOV-HNNXBMFYSA-N 1 0 384.362 4.098 20 0 GIADRO CCc1cnccc1[C@H](C)[NH2+]CC(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000574669497 823795585 /nfs/dbraw/zinc/79/55/85/823795585.db2.gz SHCNZDSWKLJFGV-ZDUSSCGKSA-N 1 0 384.480 4.196 20 0 GIADRO CC[N@H+](CC(=O)NCCc1c(F)cccc1F)[C@@H](C)c1cc2ccccc2o1 ZINC000064349377 823798341 /nfs/dbraw/zinc/79/83/41/823798341.db2.gz ZGPULEXTTKBONS-HNNXBMFYSA-N 1 0 386.442 4.453 20 0 GIADRO CC[N@H+](C[C@@H](O)COc1ccc(NC(C)=O)cc1)[C@H](C)c1cc2ccccc2o1 ZINC000064349441 823798635 /nfs/dbraw/zinc/79/86/35/823798635.db2.gz XJDKGKSNWAMNBU-OXQOHEQNSA-N 1 0 396.487 4.214 20 0 GIADRO COc1ccc(Cn2nc(C)c(C[N@@H+]3CCC=C(c4ccco4)C3)c2C)cc1 ZINC000574677609 823798641 /nfs/dbraw/zinc/79/86/41/823798641.db2.gz JFIULNGCGCBKTI-UHFFFAOYSA-N 1 0 377.488 4.439 20 0 GIADRO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)N1CC[NH+](CCc2cccs2)CC1 ZINC000064352260 823799307 /nfs/dbraw/zinc/79/93/07/823799307.db2.gz AMWAGAKNANJTJQ-OALUTQOASA-N 1 0 399.604 4.449 20 0 GIADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)C1 ZINC000574684062 823800423 /nfs/dbraw/zinc/80/04/23/823800423.db2.gz VZLDCXMBTVGJEH-SJLPKXTDSA-N 1 0 375.472 4.256 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]CCc2c[nH]c3c2cccc3C)c1 ZINC000164398291 823800793 /nfs/dbraw/zinc/80/07/93/823800793.db2.gz RRLKMJSWIPKQTH-INIZCTEOSA-N 1 0 395.503 4.043 20 0 GIADRO COCc1ccc(CNc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)cc1 ZINC000126158868 823802293 /nfs/dbraw/zinc/80/22/93/823802293.db2.gz UDRKDTBXLRLAIS-UHFFFAOYSA-N 1 0 381.520 4.260 20 0 GIADRO COc1ccc(C)cc1C1(C[NH2+][C@H](c2ncc[nH]2)c2ccccc2)CCOCC1 ZINC000126158796 823802387 /nfs/dbraw/zinc/80/23/87/823802387.db2.gz ZUIQNTMODOKRAL-QFIPXVFZSA-N 1 0 391.515 4.154 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc3c(c2)ncn3-c2cc(C)ccc2C)C1 ZINC000191881303 823802551 /nfs/dbraw/zinc/80/25/51/823802551.db2.gz CHNUAELSDPEIGS-IBGZPJMESA-N 1 0 390.531 4.056 20 0 GIADRO Cc1cccc([C@H]2CCCN2C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)n1 ZINC000126159405 823802554 /nfs/dbraw/zinc/80/25/54/823802554.db2.gz FEGLFJYCIYJBJS-WMZHIEFXSA-N 1 0 392.547 4.462 20 0 GIADRO CN(CCOc1ccccc1)C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000574698970 823803392 /nfs/dbraw/zinc/80/33/92/823803392.db2.gz DZDDMOOTACQPGM-QFIPXVFZSA-N 1 0 395.547 4.009 20 0 GIADRO CCOc1ccc(NC(=S)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000064377966 823804665 /nfs/dbraw/zinc/80/46/65/823804665.db2.gz CLKSDLZDKGMXAX-INIZCTEOSA-N 1 0 389.590 4.345 20 0 GIADRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)c(OC)c1 ZINC000191888623 823804530 /nfs/dbraw/zinc/80/45/30/823804530.db2.gz MZSTXPCOMAZKDR-HQRMLTQVSA-N 1 0 382.504 4.032 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000164500933 823805402 /nfs/dbraw/zinc/80/54/02/823805402.db2.gz MZKWQMSENLRACW-CYBMUJFWSA-N 1 0 386.439 4.318 20 0 GIADRO COC(=O)c1cccc(C[NH2+][C@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)n1 ZINC000574715437 823807111 /nfs/dbraw/zinc/80/71/11/823807111.db2.gz OCQYEEAVBLTVEG-WBVHZDCISA-N 1 0 378.394 4.313 20 0 GIADRO C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000462041375 823808362 /nfs/dbraw/zinc/80/83/62/823808362.db2.gz RGHUIISOLXRDRY-KKSFZXQISA-N 1 0 397.950 4.414 20 0 GIADRO CC[C@@H](NC(=O)N(Cc1ccncc1)C[C@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000413646372 823809136 /nfs/dbraw/zinc/80/91/36/823809136.db2.gz FXHWLIGZQLHHJG-FGZHOGPDSA-N 1 0 380.536 4.229 20 0 GIADRO CCSc1cccc(F)c1NC(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000574727625 823811198 /nfs/dbraw/zinc/81/11/98/823811198.db2.gz DPFUYKPCPCGMDC-UHFFFAOYSA-N 1 0 391.512 4.200 20 0 GIADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000574726409 823811244 /nfs/dbraw/zinc/81/12/44/823811244.db2.gz MMPQUYNLVILVQA-OXJNMPFZSA-N 1 0 392.469 4.009 20 0 GIADRO C[C@H](C(=O)Nc1ccccc1Sc1ccccc1)N1CC[NH+](CC2CC2)CC1 ZINC000126204039 823811680 /nfs/dbraw/zinc/81/16/80/823811680.db2.gz OCPLUEQRGZEOPT-GOSISDBHSA-N 1 0 395.572 4.192 20 0 GIADRO CN(Cc1ccc2ccccc2c1)C(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000462050523 823812574 /nfs/dbraw/zinc/81/25/74/823812574.db2.gz ARHWUNUYTUDGKQ-UHFFFAOYSA-N 1 0 387.527 4.011 20 0 GIADRO CCN(CC)C(=O)C[NH2+]Cc1ccc(-c2ccccc2Br)s1 ZINC000064411318 823813198 /nfs/dbraw/zinc/81/31/98/823813198.db2.gz CPIXHGUARKNVLX-UHFFFAOYSA-N 1 0 381.339 4.136 20 0 GIADRO C[C@H]1CN(c2ccc(NC(=O)c3ccc(C[NH+]4CCCC4)cc3)cc2)C[C@H](C)O1 ZINC000064409002 823813250 /nfs/dbraw/zinc/81/32/50/823813250.db2.gz STFOIXSFQPYBKK-OALUTQOASA-N 1 0 393.531 4.148 20 0 GIADRO Cc1nccn1CCCC[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000164628615 823813259 /nfs/dbraw/zinc/81/32/59/823813259.db2.gz ZSNRXCAQPXPAKH-QGZVFWFLSA-N 1 0 378.314 4.238 20 0 GIADRO C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@@H](C)C1CCOCC1 ZINC000126214629 823813751 /nfs/dbraw/zinc/81/37/51/823813751.db2.gz BRJDMXZDPWFIKV-RYUDHWBXSA-N 1 0 392.849 4.481 20 0 GIADRO C[NH+]1CCC(N[C@@H](c2ccccc2)c2ccc(Br)cc2F)CC1 ZINC000164671952 823815140 /nfs/dbraw/zinc/81/51/40/823815140.db2.gz AITWLOQMPDUCLX-IBGZPJMESA-N 1 0 377.301 4.361 20 0 GIADRO Cc1ccc(C2=CCN(C(=O)c3cccc(C[NH+]4CCCCC4)c3)CC2)cn1 ZINC000413679396 823815597 /nfs/dbraw/zinc/81/55/97/823815597.db2.gz YYWHLNFCMYUBQW-UHFFFAOYSA-N 1 0 375.516 4.305 20 0 GIADRO COc1ccc([C@H](C)N(C)C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000126235861 823817931 /nfs/dbraw/zinc/81/79/31/823817931.db2.gz CEYOGDQSTIVEPP-FXAWDEMLSA-N 1 0 385.508 4.218 20 0 GIADRO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@H+](CCc1c(C)noc1C)CC2 ZINC000164739707 823818290 /nfs/dbraw/zinc/81/82/90/823818290.db2.gz RYHWGJQPOINKSE-DEOSSOPVSA-N 1 0 392.499 4.499 20 0 GIADRO CC[C@H](C)n1c(-c2ccccc2)nn(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1=S ZINC000164761506 823818600 /nfs/dbraw/zinc/81/86/00/823818600.db2.gz OSXIORHACHZXNP-DFQSSKMNSA-N 1 0 399.608 4.426 20 0 GIADRO C[C@@H](CNC(=O)Nc1cccc(C2SCCS2)c1)C[NH+]1CCCCC1 ZINC000126240367 823818871 /nfs/dbraw/zinc/81/88/71/823818871.db2.gz IBYCEEQGLDAUCY-HNNXBMFYSA-N 1 0 379.595 4.409 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCc1cnccc1C(C)(C)C ZINC000413694653 823819162 /nfs/dbraw/zinc/81/91/62/823819162.db2.gz MSEBDOFGFXDOMU-UHFFFAOYSA-N 1 0 382.552 4.172 20 0 GIADRO Cc1ccc(C(=O)N2CCC([N@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)o1 ZINC000064448048 823820514 /nfs/dbraw/zinc/82/05/14/823820514.db2.gz BBWYOHVUJVPDET-UHFFFAOYSA-N 1 0 380.410 4.343 20 0 GIADRO CC(=O)N(c1nc(CN(C[C@H]2CCOC2)C2CC2)cs1)c1ccc(C)cc1C ZINC000164814725 823821278 /nfs/dbraw/zinc/82/12/78/823821278.db2.gz NCLHXNLXJRWPJG-GOSISDBHSA-N 1 0 399.560 4.445 20 0 GIADRO Cc1nc(C(F)(F)F)sc1C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000462078789 823821768 /nfs/dbraw/zinc/82/17/68/823821768.db2.gz IUDGMXMRQCLDHV-TZMCWYRMSA-N 1 0 389.487 4.197 20 0 GIADRO Cc1nc(CC(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)c(C)s1 ZINC000164826635 823821792 /nfs/dbraw/zinc/82/17/92/823821792.db2.gz ULDZEPCDYKUUEX-UHFFFAOYSA-N 1 0 391.968 4.080 20 0 GIADRO COc1ccc2c(c1)C[N@@H+](CCC(=O)Nc1cc(C)on1)[C@H](c1ccccc1)C2 ZINC000164945843 823826207 /nfs/dbraw/zinc/82/62/07/823826207.db2.gz NAHLZUYBTRJLLT-NRFANRHFSA-N 1 0 391.471 4.120 20 0 GIADRO OC[C@@]1(Cc2ccc(F)cc2)CCN(Cc2ccn(-c3ccc(Cl)cc3)n2)C1 ZINC000574788435 823826565 /nfs/dbraw/zinc/82/65/65/823826565.db2.gz BWQZNONURFHPIT-JOCHJYFZSA-N 1 0 399.897 4.092 20 0 GIADRO CC1(C(=O)NCc2csc(-c3ccco3)n2)CC[NH+](Cc2ccccc2)CC1 ZINC000164982188 823828140 /nfs/dbraw/zinc/82/81/40/823828140.db2.gz JENZZAADUIKZCL-UHFFFAOYSA-N 1 0 395.528 4.322 20 0 GIADRO COCc1cccc(NC(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCCC2)c1 ZINC000126280665 823828184 /nfs/dbraw/zinc/82/81/84/823828184.db2.gz DGWGZOQYXUCXRB-OAQYLSRUSA-N 1 0 397.519 4.190 20 0 GIADRO Cc1nc2c(s1)[C@@H]([NH2+]Cc1cccc(C(=O)NCc3ccco3)c1)CCC2 ZINC000165025044 823830335 /nfs/dbraw/zinc/83/03/35/823830335.db2.gz FAAUISHRKPXFMJ-SFHVURJKSA-N 1 0 381.501 4.142 20 0 GIADRO C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000165040925 823830924 /nfs/dbraw/zinc/83/09/24/823830924.db2.gz FQRJFECFRRPOEP-QRQCRPRQSA-N 1 0 378.447 4.372 20 0 GIADRO COc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000165030107 823831001 /nfs/dbraw/zinc/83/10/01/823831001.db2.gz LMMFSXKMRPJEDU-HSZRJFAPSA-N 1 0 390.483 4.385 20 0 GIADRO C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000165040808 823831013 /nfs/dbraw/zinc/83/10/13/823831013.db2.gz FQRJFECFRRPOEP-OYHNWAKOSA-N 1 0 378.447 4.372 20 0 GIADRO COc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000165029975 823831189 /nfs/dbraw/zinc/83/11/89/823831189.db2.gz LMMFSXKMRPJEDU-QHCPKHFHSA-N 1 0 390.483 4.385 20 0 GIADRO CC(=O)N(c1nc(CN2CC[NH+](C3CC3)CC2)cs1)c1c(C)cc(C)cc1C ZINC000165039605 823831260 /nfs/dbraw/zinc/83/12/60/823831260.db2.gz NSMJAUVEMOPSCM-UHFFFAOYSA-N 1 0 398.576 4.033 20 0 GIADRO CC[C@H](Cc1cccc(Br)c1)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000462115504 823832951 /nfs/dbraw/zinc/83/29/51/823832951.db2.gz BMAILUDKACHSOF-DOTOQJQBSA-N 1 0 395.385 4.207 20 0 GIADRO C[C@@H]([NH2+]C1CCC2(CCCO2)CC1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000574810099 823833536 /nfs/dbraw/zinc/83/35/36/823833536.db2.gz WFUXJNCMRUUOPI-OXYBSBDGSA-N 1 0 379.504 4.476 20 0 GIADRO C[NH+](C)CC1CCN(c2ccccc2NC(=O)[C@@H]2C[C@@]2(F)c2ccccc2)CC1 ZINC000413758123 823835059 /nfs/dbraw/zinc/83/50/59/823835059.db2.gz NPKXSFFBXKEXGR-GBXCKJPGSA-N 1 0 395.522 4.288 20 0 GIADRO CC(C)n1nccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000064520237 823834941 /nfs/dbraw/zinc/83/49/41/823834941.db2.gz MTTHCCJTIITEFY-UHFFFAOYSA-N 1 0 397.445 4.079 20 0 GIADRO Cc1ccc([C@H](CNC(=O)c2cccc(Br)c2F)[NH+]2CCCC2)o1 ZINC000192014781 823834970 /nfs/dbraw/zinc/83/49/70/823834970.db2.gz OKRBIUPUXOQOTM-HNNXBMFYSA-N 1 0 395.272 4.057 20 0 GIADRO COc1ccc2oc(C)c(C(=O)NC[C@@H]3CCC[N@H+](Cc4cccs4)C3)c2c1 ZINC000064521303 823835050 /nfs/dbraw/zinc/83/50/50/823835050.db2.gz LICFHQIUCPTDQA-INIZCTEOSA-N 1 0 398.528 4.453 20 0 GIADRO O=C(CSc1ccc(F)c(F)c1)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000064521986 823835489 /nfs/dbraw/zinc/83/54/89/823835489.db2.gz HFTIIHASNUHJKW-CQSZACIVSA-N 1 0 396.528 4.147 20 0 GIADRO COC[C@H](C)Nc1ccccc1NC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000413760202 823835531 /nfs/dbraw/zinc/83/55/31/823835531.db2.gz ATIUGXDVQDMLIW-SFHVURJKSA-N 1 0 381.520 4.372 20 0 GIADRO Cc1ccccc1OCCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000064521665 823835664 /nfs/dbraw/zinc/83/56/64/823835664.db2.gz PRMATLIYJDZVIA-IBGZPJMESA-N 1 0 386.561 4.244 20 0 GIADRO COc1cc([C@H](C)[NH2+]CC2(C(=O)N(C)C)CCCC2)ccc1SC(F)F ZINC000165146171 823836041 /nfs/dbraw/zinc/83/60/41/823836041.db2.gz SREGIGBMYSOYFE-ZDUSSCGKSA-N 1 0 386.508 4.309 20 0 GIADRO C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1)C(=O)Nc1ccccc1Cl ZINC000192019912 823836219 /nfs/dbraw/zinc/83/62/19/823836219.db2.gz XZPKTJMZOURTKP-UYHISHBKSA-N 1 0 379.287 4.440 20 0 GIADRO O=C(C[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)Nc1ccc(F)cc1Cl ZINC000192020412 823836274 /nfs/dbraw/zinc/83/62/74/823836274.db2.gz NGYJSLMRQCGWLO-SJLPKXTDSA-N 1 0 383.250 4.191 20 0 GIADRO CC[C@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)c1cccc(Br)c1 ZINC000165166335 823837523 /nfs/dbraw/zinc/83/75/23/823837523.db2.gz PAGLYUILGDSWRT-IBGZPJMESA-N 1 0 389.337 4.434 20 0 GIADRO C[C@@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)c1nc(-c2ccccc2)cs1 ZINC000165173282 823838055 /nfs/dbraw/zinc/83/80/55/823838055.db2.gz CWXAADZQNUEBFU-MRXNPFEDSA-N 1 0 379.529 4.405 20 0 GIADRO Cc1cc(Cl)ccc1NC(=O)C[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000192031662 823838273 /nfs/dbraw/zinc/83/82/73/823838273.db2.gz WOKVBAMQCZRPKL-PKOBYXMFSA-N 1 0 379.287 4.360 20 0 GIADRO c1sc(CC[NH2+]Cc2ccc3c(c2)OCCCCO3)nc1-c1ccncc1 ZINC000574838170 823838706 /nfs/dbraw/zinc/83/87/06/823838706.db2.gz UMINERIUZXRIJU-UHFFFAOYSA-N 1 0 381.501 4.089 20 0 GIADRO CC[C@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)c1ccccc1Br ZINC000165193210 823839112 /nfs/dbraw/zinc/83/91/12/823839112.db2.gz LRTOHBIBDVPTCZ-IBGZPJMESA-N 1 0 389.337 4.434 20 0 GIADRO S=c1sc(NC2CCCCC2)nn1CN1CC[NH+](C2CCCCC2)CC1 ZINC000165227496 823841092 /nfs/dbraw/zinc/84/10/92/823841092.db2.gz XJMWAKORAYBBDN-UHFFFAOYSA-N 1 0 395.642 4.326 20 0 GIADRO FC(F)Sc1ccc(CN2CC[NH+](CCCOCC(F)(F)F)CC2)cc1 ZINC000064557849 823843971 /nfs/dbraw/zinc/84/39/71/823843971.db2.gz RIDLCQQKLSEOEZ-UHFFFAOYSA-N 1 0 398.441 4.088 20 0 GIADRO COc1ccc(Br)cc1[C@H]1CCC[N@@H+]1CCc1c(C)noc1C ZINC000165330306 823844021 /nfs/dbraw/zinc/84/40/21/823844021.db2.gz PKORYSIZBGEDIW-QGZVFWFLSA-N 1 0 379.298 4.442 20 0 GIADRO O=C(C[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1)Nc1ccccc1C(F)(F)F ZINC000192051378 823844907 /nfs/dbraw/zinc/84/49/07/823844907.db2.gz NNKYWILCPJTOLF-AEFFLSMTSA-N 1 0 398.812 4.417 20 0 GIADRO CCc1ccc([C@H](CNC(=O)Nc2ccc3c(c2)CCCN3C)[NH+](C)C)cc1 ZINC000064562337 823845785 /nfs/dbraw/zinc/84/57/85/823845785.db2.gz DMKSWCXRVUSBDT-QFIPXVFZSA-N 1 0 380.536 4.056 20 0 GIADRO CN1CCCc2cc(NC(=O)NC[C@H](c3ccccc3)[NH+]3CCCC3)ccc21 ZINC000064562343 823845935 /nfs/dbraw/zinc/84/59/35/823845935.db2.gz JENJZLWZMRKIKS-JOCHJYFZSA-N 1 0 378.520 4.028 20 0 GIADRO COc1ccc(C(=O)NCCC[N@H+](C)Cc2ccccc2)cc1-c1ccccn1 ZINC000165436729 823848738 /nfs/dbraw/zinc/84/87/38/823848738.db2.gz HCOMFDQFFIZXOS-UHFFFAOYSA-N 1 0 389.499 4.009 20 0 GIADRO C[C@@H](NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000462164442 823850231 /nfs/dbraw/zinc/85/02/31/823850231.db2.gz NDHYBVADZGCKKH-QAPCUYQASA-N 1 0 383.458 4.426 20 0 GIADRO CC(C)c1ccccc1OCCC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000126374777 823851420 /nfs/dbraw/zinc/85/14/20/823851420.db2.gz BTYGZDMNTORDND-UHFFFAOYSA-N 1 0 395.547 4.349 20 0 GIADRO Cc1c(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cccc1-c1ncco1 ZINC000574886782 823851972 /nfs/dbraw/zinc/85/19/72/823851972.db2.gz VSGXYZBGSDXGIW-LAUBAEHRSA-N 1 0 390.487 4.435 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H](OC(C)(C)C)c1ccccc1 ZINC000126376380 823852168 /nfs/dbraw/zinc/85/21/68/823852168.db2.gz IVJDUGNTDUQUCL-QFIPXVFZSA-N 1 0 395.547 4.313 20 0 GIADRO CCc1ccccc1NC(=O)C[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000192076887 823852324 /nfs/dbraw/zinc/85/23/24/823852324.db2.gz UUVFLOWOIRRSKR-UYAOXDASSA-N 1 0 376.859 4.100 20 0 GIADRO CCOc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(N2CCCC2)c1 ZINC000126380555 823852620 /nfs/dbraw/zinc/85/26/20/823852620.db2.gz LMTXRLKWPFEGBT-ZWKOTPCHSA-N 1 0 381.520 4.363 20 0 GIADRO Cc1cc(Cl)ccc1NC(=O)C[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000192081684 823853823 /nfs/dbraw/zinc/85/38/23/823853823.db2.gz UNLTZALDZSGURN-PKOBYXMFSA-N 1 0 397.277 4.499 20 0 GIADRO Cc1ccc(C)c(OC2CC[NH+](CCC(=O)N3CCc4sccc4C3)CC2)c1 ZINC000064632229 823855009 /nfs/dbraw/zinc/85/50/09/823855009.db2.gz QDBNYJMZIWLSHK-UHFFFAOYSA-N 1 0 398.572 4.183 20 0 GIADRO Cc1ccc(C)c(OC2CC[NH+]([C@@H](C)C(=O)N(C)Cc3cccc(F)c3)CC2)c1 ZINC000064631925 823855302 /nfs/dbraw/zinc/85/53/02/823855302.db2.gz NCQFZHGCGGSNNX-IBGZPJMESA-N 1 0 398.522 4.333 20 0 GIADRO Cc1ccc(NC(=O)C[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c(Cl)c1 ZINC000192086724 823855577 /nfs/dbraw/zinc/85/55/77/823855577.db2.gz IZSXLNAXZBTKHE-HKUYNNGSSA-N 1 0 397.277 4.499 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Cc1c[nH]c2cc(Cl)ccc12 ZINC000462178216 823856002 /nfs/dbraw/zinc/85/60/02/823856002.db2.gz URRLKMQHBKOICK-BTYIYWSLSA-N 1 0 381.907 4.001 20 0 GIADRO C[C@H](CC(=O)Nc1cc(C[NH+](C)C)ccn1)c1ccc(F)c(Br)c1 ZINC000462178166 823856201 /nfs/dbraw/zinc/85/62/01/823856201.db2.gz UBSVACQUXHIZHB-GFCCVEGCSA-N 1 0 394.288 4.177 20 0 GIADRO CC[C@@H]([NH2+][C@@H](C)Cc1ccsc1)c1ccccc1OCC(=O)N1CCCC1 ZINC000165642058 823856358 /nfs/dbraw/zinc/85/63/58/823856358.db2.gz PHRDKIXSLMYPKQ-FXAWDEMLSA-N 1 0 386.561 4.421 20 0 GIADRO O=C(NC[C@@H]1CCCc2ccccc21)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000064644061 823856874 /nfs/dbraw/zinc/85/68/74/823856874.db2.gz XANJDYIQAFLVFR-ICSRJNTNSA-N 1 0 397.588 4.379 20 0 GIADRO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1ccc(Br)c(F)c1 ZINC000064645642 823857057 /nfs/dbraw/zinc/85/70/57/823857057.db2.gz VQHLBHSVXZXNJA-UHFFFAOYSA-N 1 0 377.257 4.436 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1occc1COc1ccccc1 ZINC000462180385 823857122 /nfs/dbraw/zinc/85/71/22/823857122.db2.gz HKIQZNZYVDICOX-AVRDEDQJSA-N 1 0 390.483 4.109 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCCc3ccccc32)c1 ZINC000126400444 823857614 /nfs/dbraw/zinc/85/76/14/823857614.db2.gz XKSUKOARBAZDNC-SJLPKXTDSA-N 1 0 382.504 4.131 20 0 GIADRO C[C@H](Sc1nc2ccccc2s1)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000126400099 823857729 /nfs/dbraw/zinc/85/77/29/823857729.db2.gz GNLOEQGYQRYABX-AWEZNQCLSA-N 1 0 385.558 4.155 20 0 GIADRO CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+][C@H](CC)c2cc(C)ccc2OC)s1 ZINC000574908201 823858963 /nfs/dbraw/zinc/85/89/63/823858963.db2.gz YZQUXKYHSQHDLZ-IIAWOOMASA-N 1 0 390.553 4.122 20 0 GIADRO Cc1cc(-n2ccnc2)ccc1C[NH+]1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000192097810 823858893 /nfs/dbraw/zinc/85/88/93/823858893.db2.gz IBIJHQXTNLOZIA-UHFFFAOYSA-N 1 0 392.478 4.171 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)NCC(C)(C)c2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000413889201 823859869 /nfs/dbraw/zinc/85/98/69/823859869.db2.gz MYRCZJVIQNZALV-KNQAVFIVSA-N 1 0 394.563 4.054 20 0 GIADRO CC(C)(CNC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)c1cccnc1 ZINC000413891198 823860332 /nfs/dbraw/zinc/86/03/32/823860332.db2.gz VBOXQYDGHFTZDV-UHFFFAOYSA-N 1 0 380.536 4.209 20 0 GIADRO COc1ccc2c(c1)CCC[C@@H]2[NH2+]CCCc1nnc(SC)n1CC(C)C ZINC000165714644 823860407 /nfs/dbraw/zinc/86/04/07/823860407.db2.gz WCVBTTJVSDEONH-IBGZPJMESA-N 1 0 388.581 4.264 20 0 GIADRO CC(C)Oc1ccc([C@H](C[NH2+]Cc2cn3cc(Cl)ccc3n2)N(C)C)cc1 ZINC000574921878 823860569 /nfs/dbraw/zinc/86/05/69/823860569.db2.gz TWKBOQYUVNHPRB-FQEVSTJZSA-N 1 0 386.927 4.167 20 0 GIADRO C[C@H]([NH2+]C1CCN(Cc2ccccc2F)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000165720644 823860957 /nfs/dbraw/zinc/86/09/57/823860957.db2.gz YERCNWYMVHZGDV-KRWDZBQOSA-N 1 0 397.494 4.098 20 0 GIADRO C[C@@H](C(=O)NC1CC[NH+](C2CCCCC2)CC1)c1cccc(Br)c1 ZINC000462188249 823861029 /nfs/dbraw/zinc/86/10/29/823861029.db2.gz JRGQYLCTFJFGRJ-OAHLLOKOSA-N 1 0 393.369 4.466 20 0 GIADRO Cc1c(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)sc2nccc(C)c12 ZINC000462188472 823861045 /nfs/dbraw/zinc/86/10/45/823861045.db2.gz IEESYSDIKMZYDY-QAPCUYQASA-N 1 0 379.529 4.163 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)c(F)c1 ZINC000413895684 823861789 /nfs/dbraw/zinc/86/17/89/823861789.db2.gz AWFXEXCECGQNBE-KGLIPLIRSA-N 1 0 376.394 4.073 20 0 GIADRO C[C@@H]1CC(CC[NH2+][C@@H]2CCCC[C@H](N3C(=O)c4ccccc4C3=O)C2)C[C@@H](C)O1 ZINC000574929445 823862572 /nfs/dbraw/zinc/86/25/72/823862572.db2.gz DYERTEMJAMLXBD-LFGUQSLTSA-N 1 0 398.547 4.167 20 0 GIADRO O=C(C[NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1)Nc1cccc2ccccc21 ZINC000192111305 823863486 /nfs/dbraw/zinc/86/34/86/823863486.db2.gz VUNFUCAWAKMWCP-UNMCSNQZSA-N 1 0 382.410 4.176 20 0 GIADRO CC[N@H+](CC(=O)Nc1c(C)cccc1C)Cc1ccc(-n2ccnc2)cc1C ZINC000192111087 823863707 /nfs/dbraw/zinc/86/37/07/823863707.db2.gz IZNWVGCMSAUMJF-UHFFFAOYSA-N 1 0 376.504 4.258 20 0 GIADRO Cc1c(Br)cccc1C(=O)Nc1ccc(OCC[NH+](C)C)cc1F ZINC000413903107 823863668 /nfs/dbraw/zinc/86/36/68/823863668.db2.gz QEDYYAGCWWBQSI-UHFFFAOYSA-N 1 0 395.272 4.089 20 0 GIADRO Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(OCC[NH+](C)C)cc2F)cc1 ZINC000413905681 823864195 /nfs/dbraw/zinc/86/41/95/823864195.db2.gz XFSYDTZZRXQRNW-HNNXBMFYSA-N 1 0 376.497 4.194 20 0 GIADRO Cc1cccc(C(C)C)c1NC(=O)C[NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192112522 823864328 /nfs/dbraw/zinc/86/43/28/823864328.db2.gz GIHKFKKOTLLHIH-SIKLNZKXSA-N 1 0 388.458 4.455 20 0 GIADRO CCC[N@H+](CCC(=O)Nc1ccc(C(N)=O)cc1)[C@H](C)c1cc2ccccc2o1 ZINC000165888183 823865201 /nfs/dbraw/zinc/86/52/01/823865201.db2.gz PQVHLUNOQQPTLP-MRXNPFEDSA-N 1 0 393.487 4.334 20 0 GIADRO C[C@H](NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(N2CCCC2)c1)c1ccc(F)cc1 ZINC000126432808 823865586 /nfs/dbraw/zinc/86/55/86/823865586.db2.gz SWVAEFJGJOGVRM-BZSNNMDCSA-N 1 0 383.511 4.342 20 0 GIADRO COc1cc(-c2noc(CC[N@H+](C)C3CCCCC3)n2)ccc1OC(F)F ZINC000574941607 823865901 /nfs/dbraw/zinc/86/59/01/823865901.db2.gz HDUFKTCYROSFKZ-UHFFFAOYSA-N 1 0 381.423 4.154 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cccc(Br)c2F)C1 ZINC000192118072 823866081 /nfs/dbraw/zinc/86/60/81/823866081.db2.gz QFIDZUZZRVBQFZ-CABCVRRESA-N 1 0 397.332 4.315 20 0 GIADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cccc(Br)c2F)C1 ZINC000192118078 823866120 /nfs/dbraw/zinc/86/61/20/823866120.db2.gz QFIDZUZZRVBQFZ-GJZGRUSLSA-N 1 0 397.332 4.315 20 0 GIADRO CC[C@@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)CC(F)(F)F ZINC000413921081 823866636 /nfs/dbraw/zinc/86/66/36/823866636.db2.gz VCSKEQBOUJRQHZ-SJORKVTESA-N 1 0 377.495 4.119 20 0 GIADRO Fc1ccc([C@@H]2OCC[C@@H]2[NH2+]CCCc2nc(-c3ccccc3)no2)cc1F ZINC000192119896 823866640 /nfs/dbraw/zinc/86/66/40/823866640.db2.gz XBZUXRAZUSBDAN-ICSRJNTNSA-N 1 0 385.414 4.067 20 0 GIADRO CCn1c(C[NH2+][C@H]2CCO[C@H]2c2ccc(F)c(F)c2)nc2c1cccc2F ZINC000192121928 823867078 /nfs/dbraw/zinc/86/70/78/823867078.db2.gz YDJGUDWMOTWAQU-JXFKEZNVSA-N 1 0 375.394 4.093 20 0 GIADRO CCOc1ccc(NC(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1F ZINC000574945797 823868170 /nfs/dbraw/zinc/86/81/70/823868170.db2.gz ARKUODXFUXSQMR-RTBURBONSA-N 1 0 397.494 4.210 20 0 GIADRO CC(C)OCC[NH+]1CCC(NC(=O)Nc2cc(Cl)ccc2OC(C)C)CC1 ZINC000574946500 823868332 /nfs/dbraw/zinc/86/83/32/823868332.db2.gz KAJRMMCVGUROHI-UHFFFAOYSA-N 1 0 397.947 4.138 20 0 GIADRO CCC(CC)C(=O)N1CCC([NH2+][C@H](C)c2cc(OC)c(OC)cc2C)CC1 ZINC000166036697 823868340 /nfs/dbraw/zinc/86/83/40/823868340.db2.gz KYEFUEPHEVOCEC-MRXNPFEDSA-N 1 0 376.541 4.090 20 0 GIADRO CCC(CC)C(=O)N1CCC([NH2+][C@H]2CCc3cc(Br)ccc32)CC1 ZINC000166035435 823868480 /nfs/dbraw/zinc/86/84/80/823868480.db2.gz ZSNPZUUZNPDAOX-IBGZPJMESA-N 1 0 393.369 4.453 20 0 GIADRO c1cn(Cc2ccccc2)c(CC[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)n1 ZINC000166106173 823869994 /nfs/dbraw/zinc/86/99/94/823869994.db2.gz NUAAYNZMNMMTNU-GGAORHGYSA-N 1 0 375.516 4.231 20 0 GIADRO CSCC[C@@H](C)[N@H+](C)CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC000126447099 823870304 /nfs/dbraw/zinc/87/03/04/823870304.db2.gz KDLFUZQHNFMPSA-ZBFHGGJFSA-N 1 0 391.562 4.092 20 0 GIADRO C[NH+](C)CCc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2OC(F)(F)F)cc1 ZINC000126450770 823870707 /nfs/dbraw/zinc/87/07/07/823870707.db2.gz CQYABUMREPBLSR-MSOLQXFVSA-N 1 0 392.421 4.432 20 0 GIADRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)c1sc(C(F)(F)F)nc1C ZINC000462209080 823872238 /nfs/dbraw/zinc/87/22/38/823872238.db2.gz CKDOZRRXUWEAAA-CHWSQXEVSA-N 1 0 377.476 4.101 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)c1cc2cc(Cl)sc2[nH]1 ZINC000413940411 823872557 /nfs/dbraw/zinc/87/25/57/823872557.db2.gz RYDFECGKGFWZOY-UHFFFAOYSA-N 1 0 393.896 4.084 20 0 GIADRO C[C@@H]([NH2+][C@H](CC(=O)N(C)C)c1ccccc1)c1ccc(Br)cc1 ZINC000574961784 823873031 /nfs/dbraw/zinc/87/30/31/823873031.db2.gz MEYGXJWNDOURTI-RDTXWAMCSA-N 1 0 375.310 4.319 20 0 GIADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2ccc(Br)cc2F)C1 ZINC000064726539 823873180 /nfs/dbraw/zinc/87/31/80/823873180.db2.gz NGBGBBNHHSIGJK-VNHYZAJKSA-N 1 0 383.305 4.066 20 0 GIADRO COC(=O)c1ccc(Cl)c(C[NH2+][C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000192135306 823873304 /nfs/dbraw/zinc/87/33/04/823873304.db2.gz ROENSRMLVDPTOA-ZWKOTPCHSA-N 1 0 381.806 4.025 20 0 GIADRO Cc1ccc(OCc2ccc(C(=O)N3CCC[C@H]([NH+]4CCCC4)C3)o2)c(C)c1 ZINC000064730275 823873625 /nfs/dbraw/zinc/87/36/25/823873625.db2.gz DQGHZKKLOWVSQK-IBGZPJMESA-N 1 0 382.504 4.176 20 0 GIADRO Fc1ccc(-n2ccc(C[NH2+][C@H]3CCO[C@@H]3c3ccc(F)c(F)c3)n2)c(F)c1 ZINC000192135510 823873693 /nfs/dbraw/zinc/87/36/93/823873693.db2.gz MBRLOHOFCOQKFL-AZUAARDMSA-N 1 0 391.368 4.049 20 0 GIADRO COc1ccc(C[C@](C)(O)C[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)cc1OC ZINC000574964741 823874028 /nfs/dbraw/zinc/87/40/28/823874028.db2.gz ULIYKTGKIOLSNG-QHCPKHFHSA-N 1 0 399.462 4.186 20 0 GIADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2ccc(OCC(F)(F)F)cc2)C1 ZINC000064735660 823875319 /nfs/dbraw/zinc/87/53/19/823875319.db2.gz OQZKCGRRVFWRJX-UXLLHSPISA-N 1 0 384.442 4.105 20 0 GIADRO COc1ccc(CCC(=O)N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)cc1Cl ZINC000064735391 823875393 /nfs/dbraw/zinc/87/53/93/823875393.db2.gz FUWPDGXNRFQDND-SOLBZPMBSA-N 1 0 378.944 4.145 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)C(=O)Nc1cc(Cl)ccc1F ZINC000192139945 823876169 /nfs/dbraw/zinc/87/61/69/823876169.db2.gz RMEWJCAWXKOABN-FEMPBKKVSA-N 1 0 398.812 4.204 20 0 GIADRO C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)C(=O)Nc1cccc(Cl)c1 ZINC000192138945 823876289 /nfs/dbraw/zinc/87/62/89/823876289.db2.gz WICYLRAZDLPQMD-FJNPEDAXSA-N 1 0 380.822 4.065 20 0 GIADRO COc1ccccc1Nc1ncccc1C(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000064738698 823877074 /nfs/dbraw/zinc/87/70/74/823877074.db2.gz XBFQGOGWMYCIKL-UHFFFAOYSA-N 1 0 396.535 4.026 20 0 GIADRO COc1ccc2c(C[NH2+][C@H](C)c3cccc(N4CCCC4)c3)cc(=O)oc2c1 ZINC000126473592 823877276 /nfs/dbraw/zinc/87/72/76/823877276.db2.gz XWAQAUBGYICVHK-MRXNPFEDSA-N 1 0 378.472 4.253 20 0 GIADRO CN1CCC[C@@H]1C[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000166404770 823877628 /nfs/dbraw/zinc/87/76/28/823877628.db2.gz JPMQVJQJJYMPAM-QGZVFWFLSA-N 1 0 392.330 4.430 20 0 GIADRO Cc1cc(C)n(-c2ccc(C[NH2+][C@@H]3CCO[C@H]3c3ccc(F)c(F)c3)cc2)n1 ZINC000192143049 823877920 /nfs/dbraw/zinc/87/79/20/823877920.db2.gz NLCDYOPQIJWJDI-YADHBBJMSA-N 1 0 383.442 4.387 20 0 GIADRO O=C(NCc1ccccc1CO)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000574987389 823880262 /nfs/dbraw/zinc/88/02/62/823880262.db2.gz WKKLQLRNQRJIBW-UHFFFAOYSA-N 1 0 399.560 4.079 20 0 GIADRO Cc1ccc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C(F)(F)F)cc2)s1 ZINC000064755218 823880961 /nfs/dbraw/zinc/88/09/61/823880961.db2.gz INCVOMMULHEQON-UHFFFAOYSA-N 1 0 399.482 4.349 20 0 GIADRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1cc(Cl)nc(Cl)c1 ZINC000126487198 823881231 /nfs/dbraw/zinc/88/12/31/823881231.db2.gz TXXSBVKYUXBDAA-UHFFFAOYSA-N 1 0 396.343 4.498 20 0 GIADRO COc1ccc(C)cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(N2CCCC2)c1 ZINC000126486677 823881562 /nfs/dbraw/zinc/88/15/62/823881562.db2.gz YHIRBMQXVBDMTR-QZTJIDSGSA-N 1 0 381.520 4.282 20 0 GIADRO C[C@@H]([NH2+]C[C@H]1CC2(CCC2)C(=O)O1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000192152881 823882401 /nfs/dbraw/zinc/88/24/01/823882401.db2.gz FCHOTTXJGNDHIP-FOIQADDNSA-N 1 0 396.462 4.214 20 0 GIADRO FC(F)(F)CN1CCC(CC[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000166774528 823882587 /nfs/dbraw/zinc/88/25/87/823882587.db2.gz JMPMWLUOLUEMCY-UYAOXDASSA-N 1 0 384.486 4.408 20 0 GIADRO Cc1noc(C)c1C[C@H](C)NC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000126491372 823882660 /nfs/dbraw/zinc/88/26/60/823882660.db2.gz RDKPNJCAWAGRQB-KRWDZBQOSA-N 1 0 398.551 4.098 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)C1(c2cccc(Cl)c2)CC1 ZINC000126492321 823882668 /nfs/dbraw/zinc/88/26/68/823882668.db2.gz ZNRRQMIDNWAOQT-UHFFFAOYSA-N 1 0 383.923 4.142 20 0 GIADRO Cc1nc(-c2ccccc2)c(-c2nc([C@@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)s1 ZINC000574997279 823882872 /nfs/dbraw/zinc/88/28/72/823882872.db2.gz NJFVIUMOHQCRFK-MGPUTAFESA-N 1 0 382.489 4.094 20 0 GIADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)c2cccc(Br)c2)C1 ZINC000462228974 823883182 /nfs/dbraw/zinc/88/31/82/823883182.db2.gz CEEWLLLYMBIENT-HZPDHXFCSA-N 1 0 381.358 4.037 20 0 GIADRO CCc1noc(CC)c1C[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000166945926 823884576 /nfs/dbraw/zinc/88/45/76/823884576.db2.gz PZNARBNJMGBBCL-LBPRGKRZSA-N 1 0 383.414 4.325 20 0 GIADRO COCCCOc1cc(C)ccc1C[NH2+][C@@H](C)c1ccc2c(c1)OCCCO2 ZINC000167237619 823889527 /nfs/dbraw/zinc/88/95/27/823889527.db2.gz ROELUZAFWNLSKU-SFHVURJKSA-N 1 0 385.504 4.422 20 0 GIADRO Cc1c([C@H](C)[NH2+]CCc2nnc3n2CCCCC3)cnn1-c1cccc(Cl)c1 ZINC000126525469 823890312 /nfs/dbraw/zinc/89/03/12/823890312.db2.gz VOKBJKPOUZKCPH-HNNXBMFYSA-N 1 0 398.942 4.045 20 0 GIADRO C[C@H](CSC(C)(C)C)[NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1 ZINC000167372206 823891095 /nfs/dbraw/zinc/89/10/95/823891095.db2.gz FALFRYPQROYJFC-MRXNPFEDSA-N 1 0 386.565 4.413 20 0 GIADRO Clc1cc(C[NH2+]CCCOCC2CCOCC2)ccc1Br ZINC000192174655 823891445 /nfs/dbraw/zinc/89/14/45/823891445.db2.gz OJWSBVGMJXBQKO-UHFFFAOYSA-N 1 0 376.722 4.025 20 0 GIADRO O=C(NCC(F)(F)c1ccccc1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000462241221 823891824 /nfs/dbraw/zinc/89/18/24/823891824.db2.gz ZJYPIIBVYRFGNY-SFHVURJKSA-N 1 0 379.495 4.076 20 0 GIADRO CCCn1c2ccccc2nc1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000575027034 823892181 /nfs/dbraw/zinc/89/21/81/823892181.db2.gz MMUKLQODVQOJEO-URVUXULASA-N 1 0 375.516 4.451 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cccc(-n2cnnn2)c1 ZINC000167464259 823892554 /nfs/dbraw/zinc/89/25/54/823892554.db2.gz DOLUVUPWHQCJFX-MRXNPFEDSA-N 1 0 395.470 4.056 20 0 GIADRO C[C@H]1C[C@@H](N(C)c2nnc(-c3ccccc3F)n2C)CC[N@@H+]1Cc1ccccc1 ZINC000575028166 823893157 /nfs/dbraw/zinc/89/31/57/823893157.db2.gz VGBQTTFPYRQXQV-HKUYNNGSSA-N 1 0 393.510 4.111 20 0 GIADRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)s1 ZINC000575031184 823893679 /nfs/dbraw/zinc/89/36/79/823893679.db2.gz OXTIWFFLPWPVMG-ATLSCFEFSA-N 1 0 386.565 4.065 20 0 GIADRO COCCOc1cc(C)ccc1C[NH2+][C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000167626885 823893974 /nfs/dbraw/zinc/89/39/74/823893974.db2.gz LRHYYTZYMIQKBT-MRXNPFEDSA-N 1 0 382.504 4.101 20 0 GIADRO C[C@H]([NH2+]C1CCN(c2ccccc2)CC1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000167811258 823895715 /nfs/dbraw/zinc/89/57/15/823895715.db2.gz GXROASKMNZHNKV-SFHVURJKSA-N 1 0 397.538 4.106 20 0 GIADRO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)N1CCCC[C@H]1C(F)F ZINC000575036246 823896213 /nfs/dbraw/zinc/89/62/13/823896213.db2.gz ITGOWCVZUAMSLV-OALUTQOASA-N 1 0 379.495 4.118 20 0 GIADRO C[C@H]([NH2+]C[C@H](c1c(F)cccc1Cl)N1CCCC1)c1cc2n(n1)CCC2 ZINC000414054936 823896668 /nfs/dbraw/zinc/89/66/68/823896668.db2.gz CADHDZHGKYCARI-IFXJQAMLSA-N 1 0 376.907 4.110 20 0 GIADRO C[C@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1csc(-c2ccccc2)n1 ZINC000414056842 823896824 /nfs/dbraw/zinc/89/68/24/823896824.db2.gz DWXDWQNCCVHRSC-HNNXBMFYSA-N 1 0 381.501 4.359 20 0 GIADRO C[C@@H]([NH2+]C(C)(C)CN[C@@H](C)c1cccc(N2CCOC2=O)c1)c1ccccc1 ZINC000167860064 823896781 /nfs/dbraw/zinc/89/67/81/823896781.db2.gz GXLIYRIVFVECCL-ZWKOTPCHSA-N 1 0 381.520 4.423 20 0 GIADRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](c1ccccc1)c1cccc(Br)c1)CC2 ZINC000414066770 823899788 /nfs/dbraw/zinc/89/97/88/823899788.db2.gz HOEACGYONQBUBL-ICSRJNTNSA-N 1 0 397.320 4.043 20 0 GIADRO CC(C)c1cccc(S(=O)(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000462254865 823900676 /nfs/dbraw/zinc/90/06/76/823900676.db2.gz KHGUGASOQNLGNY-QGZVFWFLSA-N 1 0 392.590 4.062 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)c(C)c1 ZINC000414071380 823901189 /nfs/dbraw/zinc/90/11/89/823901189.db2.gz KNVJKIZTPYERMO-CEXWTWQISA-N 1 0 396.531 4.104 20 0 GIADRO Cc1noc(C)c1[C@@H](C)[NH2+][C@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000168232220 823901194 /nfs/dbraw/zinc/90/11/94/823901194.db2.gz DTMJKHBBQNEHRV-GHMZBOCLSA-N 1 0 385.386 4.258 20 0 GIADRO Cc1noc(C)c1[C@@H](C)[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000168230032 823901253 /nfs/dbraw/zinc/90/12/53/823901253.db2.gz QWBKPBXZPCGWQY-WDEREUQCSA-N 1 0 380.286 4.122 20 0 GIADRO Fc1cc(C[NH2+]CCc2nc(-c3cccc(Cl)c3)no2)ccc1OC(F)F ZINC000168334363 823902022 /nfs/dbraw/zinc/90/20/22/823902022.db2.gz NUXYWKYGWZQQNH-UHFFFAOYSA-N 1 0 397.784 4.463 20 0 GIADRO COc1ccc(Oc2cc(C[NH2+][C@@H](C)Cc3ccc(OC)nc3)ccn2)cc1 ZINC000414073645 823902048 /nfs/dbraw/zinc/90/20/48/823902048.db2.gz NGZCAQAQRICVHX-INIZCTEOSA-N 1 0 379.460 4.007 20 0 GIADRO C[C@@H]([NH2+]CC1(N(C)C)CCOCC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000168269793 823902122 /nfs/dbraw/zinc/90/21/22/823902122.db2.gz BIPKOXQIYZAZEV-GFCCVEGCSA-N 1 0 398.391 4.486 20 0 GIADRO CN(C)C1(C[NH2+][C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)CCOCC1 ZINC000168343451 823902388 /nfs/dbraw/zinc/90/23/88/823902388.db2.gz RXXXWAOKKUQAFE-KRWDZBQOSA-N 1 0 389.540 4.027 20 0 GIADRO CC(C)c1nn(Cc2ccccc2)c(Cl)c1C[NH2+][C@H]1CCc2n[nH]cc2C1 ZINC000168366977 823902679 /nfs/dbraw/zinc/90/26/79/823902679.db2.gz QDYFLMOYYVSDSJ-KRWDZBQOSA-N 1 0 383.927 4.078 20 0 GIADRO COCCOc1ccc([C@H](C)[NH2+]C2CCN(c3cccs3)CC2)cc1OC ZINC000168432507 823903140 /nfs/dbraw/zinc/90/31/40/823903140.db2.gz NZZSMERACVGJDP-INIZCTEOSA-N 1 0 390.549 4.102 20 0 GIADRO COc1cc(F)c([C@@H](C)[NH2+][C@@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)cc1OC ZINC000168551038 823903515 /nfs/dbraw/zinc/90/35/15/823903515.db2.gz UMTSIHRMMITMPJ-QWHCGFSZSA-N 1 0 386.467 4.484 20 0 GIADRO COC(=O)c1cnc([C@@H](C)NCc2cccc(C[NH+]3CCCCCC3)c2)s1 ZINC000414077963 823903559 /nfs/dbraw/zinc/90/35/59/823903559.db2.gz QMTOHMYDDYWXBM-MRXNPFEDSA-N 1 0 387.549 4.157 20 0 GIADRO C[C@H]([NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1)c1cc2n(n1)CCC2 ZINC000414080461 823904363 /nfs/dbraw/zinc/90/43/63/823904363.db2.gz UQBVHXBDKVVEEU-HNNXBMFYSA-N 1 0 392.469 4.163 20 0 GIADRO C[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1cccc(Br)c1 ZINC000462263372 823904986 /nfs/dbraw/zinc/90/49/86/823904986.db2.gz OGRCVXJOAJQTIK-JVPBZIDWSA-N 1 0 387.321 4.114 20 0 GIADRO C[C@@H]([NH2+][C@@H](c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1F)[C@H]1C[C@H]1C ZINC000414084122 823905104 /nfs/dbraw/zinc/90/51/04/823905104.db2.gz FALIBWNDVUCPQD-VWFQAZBRSA-N 1 0 379.472 4.092 20 0 GIADRO C[C@H](C(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1)[C@@H]1OCCc2sccc21 ZINC000575077953 823905410 /nfs/dbraw/zinc/90/54/10/823905410.db2.gz XBPQKFVDUXRYTP-SPEDKVCISA-N 1 0 398.572 4.121 20 0 GIADRO COC(=O)c1cnc([C@@H](C)NCc2ccccc2C[NH+]2CCC(C)CC2)s1 ZINC000414084558 823905376 /nfs/dbraw/zinc/90/53/76/823905376.db2.gz XVXKEGKBBFOBTO-MRXNPFEDSA-N 1 0 387.549 4.012 20 0 GIADRO CC(C)n1ncc2cc(C[NH2+]C[C@@H](O)c3ccc(Cl)cc3)c(Cl)nc21 ZINC000126586375 823905845 /nfs/dbraw/zinc/90/58/45/823905845.db2.gz CHGHIIDVJVQDNU-MRXNPFEDSA-N 1 0 379.291 4.142 20 0 GIADRO CC(C)(C)[C@H]([NH3+])C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1 ZINC000168922694 823907344 /nfs/dbraw/zinc/90/73/44/823907344.db2.gz XYVDBXZFAXTBAF-OAHLLOKOSA-N 1 0 385.361 4.344 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccncc1C(F)(F)F ZINC000192226176 823908521 /nfs/dbraw/zinc/90/85/21/823908521.db2.gz OBXQRNCEGMWDES-KRWDZBQOSA-N 1 0 391.437 4.085 20 0 GIADRO COc1ccc(OCc2nc(C[NH2+][C@@H](C)[C@@H]3COc4ccccc43)cs2)cc1 ZINC000169133723 823908849 /nfs/dbraw/zinc/90/88/49/823908849.db2.gz YDZIKHFKZVLHHJ-YWZLYKJASA-N 1 0 396.512 4.385 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNc2ccc3nnc(-c4ccccc4)n3n2)cc1 ZINC000064905168 823909566 /nfs/dbraw/zinc/90/95/66/823909566.db2.gz IDRPERLGILSTTG-UHFFFAOYSA-N 1 0 386.503 4.245 20 0 GIADRO CN(c1ccc(NC(=O)c2ccc(Cl)nc2Cl)cc1)C1CC[NH+](C)CC1 ZINC000064933546 823913704 /nfs/dbraw/zinc/91/37/04/823913704.db2.gz NUJAGDNYYRTKRE-UHFFFAOYSA-N 1 0 393.318 4.171 20 0 GIADRO C[C@H]([NH2+]C[C@@H](c1ccc(Cl)cc1)N(C)CCC(F)(F)F)c1ccn(C)n1 ZINC000414121666 823914387 /nfs/dbraw/zinc/91/43/87/823914387.db2.gz ASJRNTODJUTQTI-GUYCJALGSA-N 1 0 388.865 4.350 20 0 GIADRO CC(C)c1ccc2c(c1)[C@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)CCCO2 ZINC000126628552 823914708 /nfs/dbraw/zinc/91/47/08/823914708.db2.gz NGDXLDUQKBHSEU-OAQYLSRUSA-N 1 0 387.545 4.358 20 0 GIADRO C[C@H]([NH2+]CCc1cccc(Br)c1)c1ccc(C(=O)N(C)C)cc1 ZINC000414125094 823914798 /nfs/dbraw/zinc/91/47/98/823914798.db2.gz LYNOJBWFYBBMPG-AWEZNQCLSA-N 1 0 375.310 4.044 20 0 GIADRO CCOC(=O)c1csc(CC[NH2+][C@H]2CC[C@@H](c3cccc(Cl)c3)C2)n1 ZINC000414126548 823915057 /nfs/dbraw/zinc/91/50/57/823915057.db2.gz DVOSADQZIWXECI-ZBFHGGJFSA-N 1 0 378.925 4.442 20 0 GIADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000414126917 823915267 /nfs/dbraw/zinc/91/52/67/823915267.db2.gz RQHMZRKMZWRULQ-NEPJUHHUSA-N 1 0 398.370 4.104 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)CCCc1cccnc1)c1ccc(OCc2nccn2C)cc1 ZINC000414137882 823917706 /nfs/dbraw/zinc/91/77/06/823917706.db2.gz FLCQDJJAGIGXDA-RBUKOAKNSA-N 1 0 378.520 4.456 20 0 GIADRO COC(=O)c1cnc([C@@H](C)[NH2+]CC2(c3ccc(C(F)(F)F)cc3)CC2)s1 ZINC000414144994 823918293 /nfs/dbraw/zinc/91/82/93/823918293.db2.gz ULJSOOUSPSKGOD-LLVKDONJSA-N 1 0 384.423 4.331 20 0 GIADRO C[C@@H]([NH2+][C@H](CCC(=O)OC(C)(C)C)Cc1ccccc1)c1cc2n(n1)CCC2 ZINC000414148451 823919115 /nfs/dbraw/zinc/91/91/15/823919115.db2.gz SQKFEBLSESLBMY-IEBWSBKVSA-N 1 0 383.536 4.213 20 0 GIADRO O=C(c1ccc(C[NH+]2CCCC2)cc1)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000064963135 823919791 /nfs/dbraw/zinc/91/97/91/823919791.db2.gz FMNGCXMYNLPBKN-QHCPKHFHSA-N 1 0 396.506 4.243 20 0 GIADRO C[C@H](N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)c1cc2n(n1)CCC2 ZINC000414159235 823920540 /nfs/dbraw/zinc/92/05/40/823920540.db2.gz YFTNGHLUBLYFRL-BFMBIBTESA-N 1 0 386.543 4.148 20 0 GIADRO CC(C)OC(=O)c1ccc(C[N@H+](Cc2cccc(O)c2)[C@H]2CC[C@H](O)CC2)cc1 ZINC000575134874 823920541 /nfs/dbraw/zinc/92/05/41/823920541.db2.gz KKKHDAWLXHKSAK-HZCBDIJESA-N 1 0 397.515 4.263 20 0 GIADRO Cc1ncc(C[NH2+][C@H](C)CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)o1 ZINC000414166574 823921800 /nfs/dbraw/zinc/92/18/00/823921800.db2.gz FEJKWNLEBOQITG-SECBINFHSA-N 1 0 375.778 4.162 20 0 GIADRO C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CCC(NC(=O)c2ccsc2)CC1 ZINC000064989536 823922126 /nfs/dbraw/zinc/92/21/26/823922126.db2.gz XAPSNEIZMSRCDX-CYBMUJFWSA-N 1 0 380.460 4.305 20 0 GIADRO CC(C)c1ccc(Cl)c(S(=O)(=O)NC2CC[NH+](C3CCCC3)CC2)c1 ZINC000575143549 823922303 /nfs/dbraw/zinc/92/23/03/823922303.db2.gz PLHDNDIJRIOPSW-UHFFFAOYSA-N 1 0 384.973 4.149 20 0 GIADRO O=S1(=O)CC[C@H]([NH2+]C[C@H]2CCC[C@@H]2C2CC2)c2cc(Br)ccc21 ZINC000414182168 823923700 /nfs/dbraw/zinc/92/37/00/823923700.db2.gz CUJBHZLBYZGGLY-UNEWFSDZSA-N 1 0 398.366 4.084 20 0 GIADRO COc1ccc([C@H](CO)C[NH2+][C@H](C)c2ccc(Br)c(F)c2)cc1 ZINC000414187634 823924847 /nfs/dbraw/zinc/92/48/47/823924847.db2.gz QFLXXGSRGWFLII-DOMZBBRYSA-N 1 0 382.273 4.024 20 0 GIADRO COc1ccc(CCC(=O)N2CCC[N@@H+]([C@@H](C)c3ccc(F)cc3)CC2)cc1 ZINC000170646366 823924930 /nfs/dbraw/zinc/92/49/30/823924930.db2.gz IKEIJTBKRZWVQW-SFHVURJKSA-N 1 0 384.495 4.062 20 0 GIADRO CCC[C@@H]([NH2+]C[C@@H](CO)Cc1cc(F)cc(Br)c1)c1ccccn1 ZINC000414191157 823925369 /nfs/dbraw/zinc/92/53/69/823925369.db2.gz RPMCLQXSPUBABF-MAUKXSAKSA-N 1 0 395.316 4.265 20 0 GIADRO O=C(Nc1cccc(-c2ccc3c(c2)CCO3)c1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000575152774 823925365 /nfs/dbraw/zinc/92/53/65/823925365.db2.gz ZIWMXMXLDMLIFW-LEWJYISDSA-N 1 0 391.515 4.142 20 0 GIADRO O=C(Nc1cccc(CN2CCCCC2=O)c1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000065017667 823925762 /nfs/dbraw/zinc/92/57/62/823925762.db2.gz BDJWNIMZZFNLAG-UHFFFAOYSA-N 1 0 391.515 4.047 20 0 GIADRO CC(C)(C)OC(=O)NC[C@H]1CCN(Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000170648197 823926272 /nfs/dbraw/zinc/92/62/72/823926272.db2.gz RZJPZWAXQQAXNZ-CQSZACIVSA-N 1 0 391.512 4.296 20 0 GIADRO O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCC[N@@H+]1CCCc1ccncc1 ZINC000462329810 823926487 /nfs/dbraw/zinc/92/64/87/823926487.db2.gz ZSLPMYYKVNNSPI-SFHVURJKSA-N 1 0 378.303 4.424 20 0 GIADRO C[C@H]([NH2+]C1(C2CCC2)CCC1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000414199541 823927115 /nfs/dbraw/zinc/92/71/15/823927115.db2.gz XLPODGJWFAKLAS-INIZCTEOSA-N 1 0 388.533 4.132 20 0 GIADRO COCC[C@@H](C)C[NH2+][C@@H](C)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000414206365 823928427 /nfs/dbraw/zinc/92/84/27/823928427.db2.gz PVKUFMNCJAOSFG-MSOLQXFVSA-N 1 0 396.597 4.011 20 0 GIADRO CN(C(=O)c1ccc(C2CCCCC2)cc1)C1CC[NH+](C2CCOCC2)CC1 ZINC000065039408 823928872 /nfs/dbraw/zinc/92/88/72/823928872.db2.gz SRAYLNYQHSFOKT-UHFFFAOYSA-N 1 0 384.564 4.450 20 0 GIADRO CC[C@@H](C)[C@@H]1CN(CCCc2ccncc2)CC[N@@H+]1CCCc1ccncc1 ZINC000462335085 823929054 /nfs/dbraw/zinc/92/90/54/823929054.db2.gz SOHUHOJWBMMKTO-QPPBQGQZSA-N 1 0 380.580 4.074 20 0 GIADRO C[C@@H](N[C@@H](C)c1cccnc1Cl)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000126693618 823929100 /nfs/dbraw/zinc/92/91/00/823929100.db2.gz SVKALAYZBPJSFC-LSDHHAIUSA-N 1 0 376.907 4.038 20 0 GIADRO CSc1ccc(C[NH2+]C[C@@H](CO)Cc2ccccc2C(F)(F)F)s1 ZINC000575167587 823929686 /nfs/dbraw/zinc/92/96/86/823929686.db2.gz JKHNFJBFRZNKGH-LBPRGKRZSA-N 1 0 375.481 4.430 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+]Cc2cc(Cl)cc(S(=O)(=O)CC)c2)cc1 ZINC000414210804 823929685 /nfs/dbraw/zinc/92/96/85/823929685.db2.gz NLTFXLYFYVNMHU-CQSZACIVSA-N 1 0 381.925 4.383 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H](C)c2ccc(OC)c(F)c2)c1 ZINC000414215857 823931356 /nfs/dbraw/zinc/93/13/56/823931356.db2.gz YMZHHPWWXBIBIA-GFCCVEGCSA-N 1 0 385.888 4.132 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H]2c3cc(C)ccc3C[C@H]2C)c1 ZINC000414216252 823931688 /nfs/dbraw/zinc/93/16/88/823931688.db2.gz ZKBKKXIHMYNWAA-VLIAUNLRSA-N 1 0 377.937 4.465 20 0 GIADRO CC1CC[NH+](Cc2ccccc2CNC(=O)N2CC[C@H](c3cccnc3)C2)CC1 ZINC000575176771 823932073 /nfs/dbraw/zinc/93/20/73/823932073.db2.gz DSZJQZHNILAPCL-QHCPKHFHSA-N 1 0 392.547 4.013 20 0 GIADRO CCc1ccc([C@H]([NH2+][C@@H]2CS[C@H](C)C2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000414220632 823932679 /nfs/dbraw/zinc/93/26/79/823932679.db2.gz CGTOVLJDIFLPBD-JJXUHFIVSA-N 1 0 389.586 4.226 20 0 GIADRO CC(=O)N1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)c2ccccc21 ZINC000575180428 823932812 /nfs/dbraw/zinc/93/28/12/823932812.db2.gz VGYAFLMFMQNKCY-GGAORHGYSA-N 1 0 389.543 4.271 20 0 GIADRO COc1cc(-c2nc([C@@H]([NH3+])CC(C)C)no2)cc(OC)c1OCc1ccccc1 ZINC000575180483 823933324 /nfs/dbraw/zinc/93/33/24/823933324.db2.gz YCNBBUUPNIYJMC-KRWDZBQOSA-N 1 0 397.475 4.379 20 0 GIADRO CO[C@@](C)([C@@H](C)[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1)C1CC1 ZINC000414229882 823934058 /nfs/dbraw/zinc/93/40/58/823934058.db2.gz FSNMLQHAUBIFRR-MRUHUIDDSA-N 1 0 379.566 4.257 20 0 GIADRO COc1ccccc1CC(=O)N1CCC([NH2+][C@H](C)c2cccc(C3CC3)c2)CC1 ZINC000575190300 823935062 /nfs/dbraw/zinc/93/50/62/823935062.db2.gz OGYHIMFCUSVYIO-GOSISDBHSA-N 1 0 392.543 4.457 20 0 GIADRO Cc1ccc([C@H]([NH2+][C@H]2CS[C@@H](C)C2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000414233961 823935122 /nfs/dbraw/zinc/93/51/22/823935122.db2.gz RRLOKZFDNNROCT-YRISNDGFSA-N 1 0 389.586 4.280 20 0 GIADRO C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]Cc1ccccc1S(C)(=O)=O ZINC000414234728 823935510 /nfs/dbraw/zinc/93/55/10/823935510.db2.gz GKPDKDQYUUXMOT-MRXNPFEDSA-N 1 0 384.545 4.417 20 0 GIADRO Clc1cc(Br)cc(C[NH2+]C2CCN(c3nccs3)CC2)c1 ZINC000414239123 823937059 /nfs/dbraw/zinc/93/70/59/823937059.db2.gz IPLACZSLRJQLOZ-UHFFFAOYSA-N 1 0 386.746 4.318 20 0 GIADRO COc1ccncc1C[NH2+][C@@H](C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000575201210 823937380 /nfs/dbraw/zinc/93/73/80/823937380.db2.gz ZCAJTSHPKFAHLO-KRWDZBQOSA-N 1 0 388.471 4.168 20 0 GIADRO Cc1csc(C2([NH2+]C[C@@H](O)Cc3ccc(C(F)(F)F)cc3)CCCC2)n1 ZINC000126734970 823938448 /nfs/dbraw/zinc/93/84/48/823938448.db2.gz BKPAZKOWCAHXCB-INIZCTEOSA-N 1 0 384.467 4.433 20 0 GIADRO C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CC1(c2c(F)cccc2F)CCC1 ZINC000414245975 823939724 /nfs/dbraw/zinc/93/97/24/823939724.db2.gz UEBOIWVXGNODDW-LAUBAEHRSA-N 1 0 385.502 4.282 20 0 GIADRO Nc1c(Cl)cc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1Cl ZINC000192302440 823940433 /nfs/dbraw/zinc/94/04/33/823940433.db2.gz JFYHAYFFUREUOP-MEDUHNTESA-N 1 0 383.323 4.056 20 0 GIADRO Cc1ccc(Br)c(C[NH2+]C2CCN(CCC(F)(F)F)CC2)c1 ZINC000414249366 823940681 /nfs/dbraw/zinc/94/06/81/823940681.db2.gz FFOZQZCRYSFXKF-UHFFFAOYSA-N 1 0 379.264 4.264 20 0 GIADRO C[NH+](C)CCCOc1cccc(NC(=O)c2cccc(Br)c2F)c1 ZINC000192303708 823941086 /nfs/dbraw/zinc/94/10/86/823941086.db2.gz IVGGCZBSIVSYIY-UHFFFAOYSA-N 1 0 395.272 4.171 20 0 GIADRO CN(Cc1ccccc1)C(=O)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000126750353 823941519 /nfs/dbraw/zinc/94/15/19/823941519.db2.gz HTQXYXKQDDEPKX-UHFFFAOYSA-N 1 0 393.531 4.048 20 0 GIADRO FC(F)Oc1cc2c(cc1C[NH2+]CCc1ccccc1C(F)(F)F)OCO2 ZINC000462364266 823941965 /nfs/dbraw/zinc/94/19/65/823941965.db2.gz GTLRQBRBVPLSNE-UHFFFAOYSA-N 1 0 389.320 4.368 20 0 GIADRO C[C@H]1N(C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)CCC12CCOCC2 ZINC000575218073 823942492 /nfs/dbraw/zinc/94/24/92/823942492.db2.gz QIPFKQZRUOTSCD-HXUWFJFHSA-N 1 0 399.579 4.019 20 0 GIADRO CC[C@H]([NH2+]C[C@@H]1CCO[C@H]1c1cnn(CC)c1)c1ccc(Br)cc1 ZINC000414257065 823943444 /nfs/dbraw/zinc/94/34/44/823943444.db2.gz WVFWWJVGYDKUMT-ZYSHUDEJSA-N 1 0 392.341 4.484 20 0 GIADRO C[C@H](NC(=O)Nc1cc(Cl)c(N)c(Cl)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000192314200 823943625 /nfs/dbraw/zinc/94/36/25/823943625.db2.gz MJQLHVGQYZJRGU-NWDGAFQWSA-N 1 0 385.339 4.350 20 0 GIADRO C[C@@H]([NH2+]CCC(C)(C)S(C)(=O)=O)c1ccc2ccccc2c1OC(F)F ZINC000414258421 823943848 /nfs/dbraw/zinc/94/38/48/823943848.db2.gz LYGISUVGNOPDEX-CYBMUJFWSA-N 1 0 385.476 4.305 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@H](C)c2cc(Br)cs2)cn1 ZINC000414259707 823944204 /nfs/dbraw/zinc/94/42/04/823944204.db2.gz YJBLZQKUYSRVRH-BFQNTYOBSA-N 1 0 384.343 4.155 20 0 GIADRO Cc1ccccc1[C@H]1CN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CCO1 ZINC000575225543 823946321 /nfs/dbraw/zinc/94/63/21/823946321.db2.gz ZHUSAMNITVFPHB-HSZRJFAPSA-N 1 0 378.516 4.195 20 0 GIADRO O=C(Cc1coc(-c2ccc(Cl)cc2)n1)N1CCC([NH2+]C2CCCC2)CC1 ZINC000126777143 823948875 /nfs/dbraw/zinc/94/88/75/823948875.db2.gz PHDHLQCRANYEBN-UHFFFAOYSA-N 1 0 387.911 4.061 20 0 GIADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)Nc1cccc(C(C)=O)c1 ZINC000170708476 823949517 /nfs/dbraw/zinc/94/95/17/823949517.db2.gz VZWVREDKFKETPN-OAQYLSRUSA-N 1 0 395.503 4.113 20 0 GIADRO C[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1)CC(F)(F)F ZINC000414279778 823950567 /nfs/dbraw/zinc/95/05/67/823950567.db2.gz JWPDSCDDJOWEFI-MNOVXSKESA-N 1 0 381.236 4.344 20 0 GIADRO Cc1ccc(C[NH2+]C[C@H](c2ccc(Cl)cc2)N2CCc3sccc3C2)nn1 ZINC000414283806 823951313 /nfs/dbraw/zinc/95/13/13/823951313.db2.gz JRHUAANUOBPTRO-HXUWFJFHSA-N 1 0 398.963 4.389 20 0 GIADRO COc1cccc(N2CC[C@@H](C[NH2+]Cc3nc(C(C)C)n4ccccc34)C2)c1 ZINC000575310630 823951877 /nfs/dbraw/zinc/95/18/77/823951877.db2.gz CBJYYPBZNCUPLB-SFHVURJKSA-N 1 0 378.520 4.082 20 0 GIADRO C[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1)CC(F)(F)F ZINC000414288884 823951933 /nfs/dbraw/zinc/95/19/33/823951933.db2.gz VJMLGXQGKPBSJU-MNOVXSKESA-N 1 0 381.236 4.344 20 0 GIADRO C[C@@H](C[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1)CC(F)(F)F ZINC000414288882 823952139 /nfs/dbraw/zinc/95/21/39/823952139.db2.gz VJMLGXQGKPBSJU-GHMZBOCLSA-N 1 0 381.236 4.344 20 0 GIADRO C[C@H](COc1ccc(C(C)(C)C)cc1)[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000414305852 823954779 /nfs/dbraw/zinc/95/47/79/823954779.db2.gz DPSJWWCMSQHYLE-CQSZACIVSA-N 1 0 381.563 4.006 20 0 GIADRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+][C@@H]3CCCC(F)(F)[C@H]3O)s2)cc1 ZINC000414310183 823955285 /nfs/dbraw/zinc/95/52/85/823955285.db2.gz ZJBZXMVFRKKSJJ-CXMBCZLWSA-N 1 0 382.476 4.326 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NCc2ccc(S(C)(=O)=O)s2)cc1 ZINC000414307490 823955335 /nfs/dbraw/zinc/95/53/35/823955335.db2.gz YSKQXTVOQWIPRW-HNNXBMFYSA-N 1 0 378.563 4.138 20 0 GIADRO O=C1CC[C@H](c2cccc(N[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]4CCC[C@@H]43)c2)N1 ZINC000414317235 823957427 /nfs/dbraw/zinc/95/74/27/823957427.db2.gz OZABJVKTDNLDJY-MOUTVQLLSA-N 1 0 389.543 4.493 20 0 GIADRO COCC[N@H+](Cn1nc(C)nc1-c1ccc(Cl)c(Cl)c1)C1CCCC1 ZINC000065188404 823957704 /nfs/dbraw/zinc/95/77/04/823957704.db2.gz KGLOLXRMUKJCNO-UHFFFAOYSA-N 1 0 383.323 4.409 20 0 GIADRO CC(=O)N(c1nc(CN2CC[C@@H]([NH+]3CCCC3)C2)cs1)c1ccc(C)c(C)c1 ZINC000170739086 823958116 /nfs/dbraw/zinc/95/81/16/823958116.db2.gz OQDQSHWUXZNYHH-OAQYLSRUSA-N 1 0 398.576 4.115 20 0 GIADRO Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000414321204 823958004 /nfs/dbraw/zinc/95/80/04/823958004.db2.gz TWJLPIDTDWXPJK-QHCPKHFHSA-N 1 0 393.462 4.332 20 0 GIADRO Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+]CC1(CS(C)(=O)=O)CCC1 ZINC000414324711 823958342 /nfs/dbraw/zinc/95/83/42/823958342.db2.gz JGGPDHIENLMOAT-CYBMUJFWSA-N 1 0 396.553 4.123 20 0 GIADRO CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000414323956 823958368 /nfs/dbraw/zinc/95/83/68/823958368.db2.gz WIUOSFKRUJDEPG-HRAATJIYSA-N 1 0 397.494 4.061 20 0 GIADRO CS(=O)(=O)CC1(C[NH2+][C@H]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)CCC1 ZINC000414324981 823958471 /nfs/dbraw/zinc/95/84/71/823958471.db2.gz JNOOLWZCPQMHBJ-WBVHZDCISA-N 1 0 389.483 4.146 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000126817691 823958663 /nfs/dbraw/zinc/95/86/63/823958663.db2.gz IBPUIXXHEYMTJF-RTWAWAEBSA-N 1 0 383.923 4.214 20 0 GIADRO C[N@H+](Cc1ccccc1)C1CCC(Nc2cccc([C@H]3CCC(=O)N3)c2)CC1 ZINC000414327351 823958701 /nfs/dbraw/zinc/95/87/01/823958701.db2.gz YJTBZSAPODYPEM-IQWMQGJTSA-N 1 0 377.532 4.493 20 0 GIADRO O=C1[C@H]([NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)CCN1c1ccc(F)cc1 ZINC000414329202 823959472 /nfs/dbraw/zinc/95/94/72/823959472.db2.gz ZPCJQUIYQYPDAL-ZWKOTPCHSA-N 1 0 393.384 4.012 20 0 GIADRO CCc1ncc(C[NH2+][C@H]2c3cc(Br)ccc3SC[C@H]2C)cn1 ZINC000414329764 823959855 /nfs/dbraw/zinc/95/98/55/823959855.db2.gz INGFWRBWXDSTRO-PIGZYNQJSA-N 1 0 378.339 4.374 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](Cc3ccc(C)cc3)C2)c1 ZINC000575348621 823959981 /nfs/dbraw/zinc/95/99/81/823959981.db2.gz VCOXVNCDPNYLIE-GHTZIAJQSA-N 1 0 393.531 4.235 20 0 GIADRO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@@H]1CCC[C@H](CO)C1 ZINC000414331387 823959922 /nfs/dbraw/zinc/95/99/22/823959922.db2.gz FJWHXGDAOUEMMX-MBNYWOFBSA-N 1 0 392.849 4.217 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N[C@H]1CCSc2c(F)cccc21 ZINC000126825106 823960419 /nfs/dbraw/zinc/96/04/19/823960419.db2.gz VORXWEIURYMAFA-IRXDYDNUSA-N 1 0 389.496 4.092 20 0 GIADRO CC[C@H]([NH2+]C[C@@H]1C[C@H]1c1cccc(OC)c1)c1ccccc1OCC(=O)N(C)C ZINC000414338360 823960751 /nfs/dbraw/zinc/96/07/51/823960751.db2.gz KHZLGMOFKBBNOF-NYVOZVTQSA-N 1 0 396.531 4.007 20 0 GIADRO Cc1cc2ncc([C@H](C)[NH2+][C@H](C)Cc3cn(C)c4ccc(F)cc34)c(C)n2n1 ZINC000414336114 823960929 /nfs/dbraw/zinc/96/09/29/823960929.db2.gz CSIWMDURKPMNND-HIFRSBDPSA-N 1 0 379.483 4.259 20 0 GIADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC(C)(C)c1cccnc1 ZINC000414338720 823961288 /nfs/dbraw/zinc/96/12/88/823961288.db2.gz RYTBVSOIEXKWPW-AWEZNQCLSA-N 1 0 390.325 4.129 20 0 GIADRO COc1cccc([C@@H]2C[C@H]2C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2Cl)c1 ZINC000414344310 823961816 /nfs/dbraw/zinc/96/18/16/823961816.db2.gz RFHMGLIJQFJQNA-UVFQYZLESA-N 1 0 382.895 4.384 20 0 GIADRO OC[C@@H]1CCC[C@H]([NH2+][C@@H](c2ccc(Br)o2)c2ccc(F)cc2)C1 ZINC000414348088 823962447 /nfs/dbraw/zinc/96/24/47/823962447.db2.gz WPHUXXKYDMATHG-HNJNHCNJSA-N 1 0 382.273 4.411 20 0 GIADRO C[C@H]([NH2+]C1CCN(Cc2cccc(Br)c2)CC1)c1ccc(F)cn1 ZINC000414348726 823962815 /nfs/dbraw/zinc/96/28/15/823962815.db2.gz JNPBEITYPCJTMK-AWEZNQCLSA-N 1 0 392.316 4.298 20 0 GIADRO CCc1ccc([C@@H]([NH2+][C@@H]2C[C@H]2c2ccco2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000414351677 823962872 /nfs/dbraw/zinc/96/28/72/823962872.db2.gz RYWPPJLFSNITDD-MQSCRBSSSA-N 1 0 395.524 4.481 20 0 GIADRO C[C@@]1(C[NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)OCCc2sccc21 ZINC000575367180 823963152 /nfs/dbraw/zinc/96/31/52/823963152.db2.gz PRVKGNYQDYPEGS-KRWDZBQOSA-N 1 0 389.414 4.406 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NCc3sccc3Br)nc2)CC1 ZINC000462408596 823963599 /nfs/dbraw/zinc/96/35/99/823963599.db2.gz JVRFWGFSVGOXDX-UHFFFAOYSA-N 1 0 395.370 4.048 20 0 GIADRO CCc1ncc(C[NH2+][C@@H]2CCCc3nc(-c4ccc(OC)cc4)sc32)cn1 ZINC000414356093 823963926 /nfs/dbraw/zinc/96/39/26/823963926.db2.gz ZWLQBYIRCRWUTG-QGZVFWFLSA-N 1 0 380.517 4.338 20 0 GIADRO CCSc1cccc(F)c1NC(=O)N1CCN(Cc2ccsc2)CC1 ZINC000575371381 823964292 /nfs/dbraw/zinc/96/42/92/823964292.db2.gz IHTHFRTWVUPJMH-UHFFFAOYSA-N 1 0 379.526 4.349 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)N1CCCCC[C@@H]1c1ccncc1)c1cccc(F)c1 ZINC000126845888 823964917 /nfs/dbraw/zinc/96/49/17/823964917.db2.gz HYJSBSKXMWSOBF-RTWAWAEBSA-N 1 0 384.499 4.150 20 0 GIADRO NS(=O)(=O)c1ccc(C[NH2+][C@H](CC2CCCC2)c2ccccc2)cc1Cl ZINC000414361792 823965343 /nfs/dbraw/zinc/96/53/43/823965343.db2.gz CWXOJPMYPUVEFP-LJQANCHMSA-N 1 0 392.952 4.399 20 0 GIADRO Cc1ccc(C)c(C(=O)CCC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000126848863 823965792 /nfs/dbraw/zinc/96/57/92/823965792.db2.gz AYEJZAUDUXFVGN-UHFFFAOYSA-N 1 0 393.531 4.036 20 0 GIADRO O=C(CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1)N[C@H](c1cccs1)c1ccccc1 ZINC000575398419 823966373 /nfs/dbraw/zinc/96/63/73/823966373.db2.gz LYQQKSAOWMZHMU-VIZSFHNOSA-N 1 0 398.572 4.235 20 0 GIADRO C[C@H]([NH2+]C[C@H]1CCCN(Cc2cccs2)C1)c1ccc(-n2ccnc2)cc1 ZINC000126853106 823966878 /nfs/dbraw/zinc/96/68/78/823966878.db2.gz AWXDWRIZQIDATI-RBUKOAKNSA-N 1 0 380.561 4.497 20 0 GIADRO Cc1ccccc1[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)C(C)(C)C ZINC000414369383 823967037 /nfs/dbraw/zinc/96/70/37/823967037.db2.gz UJFMPKFJAYRXPQ-GOSISDBHSA-N 1 0 380.941 4.173 20 0 GIADRO COC(=O)[C@H](C)[N@H+](CCC(=O)Nc1ccccc1-c1ccccc1)C1CCC1 ZINC000192386380 823967534 /nfs/dbraw/zinc/96/75/34/823967534.db2.gz MEUVOLXBAJLJAO-KRWDZBQOSA-N 1 0 380.488 4.098 20 0 GIADRO CC(C)(C)[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)c1cccc(F)c1 ZINC000414370664 823967659 /nfs/dbraw/zinc/96/76/59/823967659.db2.gz VPTKSVFIWHSQRX-KRWDZBQOSA-N 1 0 384.904 4.004 20 0 GIADRO Cc1cc(C(=O)NC2CC[NH+](Cc3cc(-c4ccc(C)cc4)no3)CC2)c(C)o1 ZINC000170775733 823967951 /nfs/dbraw/zinc/96/79/51/823967951.db2.gz BRWBFQNTQOBZKC-UHFFFAOYSA-N 1 0 393.487 4.254 20 0 GIADRO Cc1occc1C(=O)NC1CC[NH+](Cc2cc(Cl)cc3cccnc32)CC1 ZINC000170777677 823969131 /nfs/dbraw/zinc/96/91/31/823969131.db2.gz XAZQNGVYKUWOQB-UHFFFAOYSA-N 1 0 383.879 4.184 20 0 GIADRO Cc1occc1C(=O)NC1CC[NH+](Cc2ccc(C(F)(F)F)c(C)c2)CC1 ZINC000414381469 823969848 /nfs/dbraw/zinc/96/98/48/823969848.db2.gz MDYQQYDWKBJEIS-UHFFFAOYSA-N 1 0 380.410 4.310 20 0 GIADRO O=C(C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000575441670 823971474 /nfs/dbraw/zinc/97/14/74/823971474.db2.gz HAOINHOXAIOHSZ-MQSCRBSSSA-N 1 0 398.934 4.189 20 0 GIADRO Cc1cc(C[NH2+]Cc2ccnc(OC3CCOCC3)c2)ccc1C(F)(F)F ZINC000414397243 823971771 /nfs/dbraw/zinc/97/17/71/823971771.db2.gz TXTLRVWLGGUPSJ-UHFFFAOYSA-N 1 0 380.410 4.256 20 0 GIADRO O=C(NC1CC1)[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000126891668 823975277 /nfs/dbraw/zinc/97/52/77/823975277.db2.gz CRAMTEHHUSIDJX-IERDGZPVSA-N 1 0 393.462 4.166 20 0 GIADRO CCc1ncc(C[N@H+](CCc2ccc(OC)c(OC)c2)Cc2ccsc2)cn1 ZINC000414414550 823976668 /nfs/dbraw/zinc/97/66/68/823976668.db2.gz TWEWWYMHEVCIHG-UHFFFAOYSA-N 1 0 397.544 4.363 20 0 GIADRO CCN(Cc1ccccc1)C(=O)C(=O)Nc1cccc2c1C[N@@H+]([C@@H](C)C(C)C)C2 ZINC000170820010 823979696 /nfs/dbraw/zinc/97/96/96/823979696.db2.gz OFMFMGXSRMPDEK-SFHVURJKSA-N 1 0 393.531 4.034 20 0 GIADRO O=C(c1ccc2c(c1)CCCCC2=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000575628782 823979745 /nfs/dbraw/zinc/97/97/45/823979745.db2.gz YZQJWCKVAVLCSR-LJQANCHMSA-N 1 0 382.548 4.324 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)CCSc1ccc(F)cc1 ZINC000126925590 823982421 /nfs/dbraw/zinc/98/24/21/823982421.db2.gz NWLAPMVQCJYWIS-UHFFFAOYSA-N 1 0 387.524 4.078 20 0 GIADRO Cc1cc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc(C)c1Br ZINC000192420176 823982423 /nfs/dbraw/zinc/98/24/23/823982423.db2.gz JJUPAKPHHNXVNE-HOCLYGCPSA-N 1 0 380.330 4.014 20 0 GIADRO CCOc1c(OC)cc(C[NH2+][C@@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)cc1OC ZINC000126926273 823982935 /nfs/dbraw/zinc/98/29/35/823982935.db2.gz IVDKELLBQJAEEM-AWEZNQCLSA-N 1 0 398.503 4.183 20 0 GIADRO CC(C)(C)[C@@H](NC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)C(F)(F)F ZINC000575736620 823983587 /nfs/dbraw/zinc/98/35/87/823983587.db2.gz ZEXBPVXMAUIPIH-XLIONFOSSA-N 1 0 397.485 4.271 20 0 GIADRO CO[C@H]1C[C@H]2C[C@H]([NH2+]Cc3cn(-c4ccccc4)nc3-c3ccncc3)C[C@H]2C1 ZINC000575740807 823984194 /nfs/dbraw/zinc/98/41/94/823984194.db2.gz KDZKOKXJJWBOBJ-RUQVMKTISA-N 1 0 388.515 4.228 20 0 GIADRO CSC1(CNC(=O)Nc2ccc(SCC[NH+]3CCCCC3)cc2)CC1 ZINC000575744840 823985161 /nfs/dbraw/zinc/98/51/61/823985161.db2.gz AVMYFGJGNZHESB-UHFFFAOYSA-N 1 0 379.595 4.282 20 0 GIADRO C[C@@H](c1ccc(F)cc1F)[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000170834643 823985229 /nfs/dbraw/zinc/98/52/29/823985229.db2.gz OXFXUJORTHSESL-ZDUSSCGKSA-N 1 0 388.414 4.105 20 0 GIADRO CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)c(C)c2)C1 ZINC000414437066 823986021 /nfs/dbraw/zinc/98/60/21/823986021.db2.gz TXEOCASGRVJCND-HNNXBMFYSA-N 1 0 380.414 4.075 20 0 GIADRO CCc1ncc(C[NH2+]Cc2ccc(Oc3cc(OC)cc(OC)c3)cc2)cn1 ZINC000414436923 823986073 /nfs/dbraw/zinc/98/60/73/823986073.db2.gz CJMZVCLGKCVCPW-UHFFFAOYSA-N 1 0 379.460 4.138 20 0 GIADRO CCOc1ccc(C(=O)N2CCC([NH2+]C3CC(c4ccc(F)cc4)C3)CC2)cc1 ZINC000126941855 823986076 /nfs/dbraw/zinc/98/60/76/823986076.db2.gz VRSOYOBPNLWANX-UHFFFAOYSA-N 1 0 396.506 4.365 20 0 GIADRO Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)ccc1C(F)(F)F ZINC000414441689 823986518 /nfs/dbraw/zinc/98/65/18/823986518.db2.gz OQJPBCQWPURBMA-CQSZACIVSA-N 1 0 396.375 4.437 20 0 GIADRO CN(C(=O)[C@H]1CSc2ccccc21)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000126944074 823986610 /nfs/dbraw/zinc/98/66/10/823986610.db2.gz WIOCZRVTMNGQNZ-FQEVSTJZSA-N 1 0 382.529 4.014 20 0 GIADRO Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@@H](c1cccs1)C1(CO)CCC1 ZINC000414462704 823989453 /nfs/dbraw/zinc/98/94/53/823989453.db2.gz QOZSYKVMTLFGJG-FQEVSTJZSA-N 1 0 385.508 4.375 20 0 GIADRO Cn1cc(C[N@@H+]2CCSC3(CCC3)CC2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000414478705 823991803 /nfs/dbraw/zinc/99/18/03/823991803.db2.gz PWRCCMPJOCPIMJ-UHFFFAOYSA-N 1 0 399.560 4.110 20 0 GIADRO COCCOc1cccc(C[NH2+]Cc2cccc(Br)c2Cl)c1 ZINC000414477592 823991915 /nfs/dbraw/zinc/99/19/15/823991915.db2.gz CUPCUZRATBOSCQ-UHFFFAOYSA-N 1 0 384.701 4.418 20 0 GIADRO Cc1ccc(NC(=O)C[C@@H](C)N(CC[NH3+])c2ccc3ccccc3n2)c(C)c1 ZINC000414481586 823992337 /nfs/dbraw/zinc/99/23/37/823992337.db2.gz CEDCNDZTZAKHOK-GOSISDBHSA-N 1 0 376.504 4.034 20 0 GIADRO COc1cccc2c1CC[C@H]([NH2+][C@@H](C)c1ccc(NC(=O)NC3CC3)cc1)C2 ZINC000192439394 823993581 /nfs/dbraw/zinc/99/35/81/823993581.db2.gz QBJNILYQAOEPSM-YWZLYKJASA-N 1 0 379.504 4.187 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000126981071 823993895 /nfs/dbraw/zinc/99/38/95/823993895.db2.gz OFNCMNYKNCPTIT-ZWKOTPCHSA-N 1 0 398.469 4.198 20 0 GIADRO C[C@@H]1CC[C@@H]([NH2+]CC2(c3ccc(C(F)(F)F)cc3)CC2)[C@H](n2cncn2)C1 ZINC000575783204 823994073 /nfs/dbraw/zinc/99/40/73/823994073.db2.gz AMGAXAMUXMPMIN-ZTFGCOKTSA-N 1 0 378.442 4.348 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nc(-c2cnc(-c3ccccc3)nc2)no1 ZINC000575784917 823994539 /nfs/dbraw/zinc/99/45/39/823994539.db2.gz WMVKKFWFUSIUIE-DYESRHJHSA-N 1 0 397.482 4.429 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]Cc2ccc(SC)s2)c1 ZINC000414496246 823995212 /nfs/dbraw/zinc/99/52/12/823995212.db2.gz PIUGTYBJHSFSRZ-UHFFFAOYSA-N 1 0 375.968 4.207 20 0 GIADRO COC(=O)C1CCC([NH2+]C2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)CC1 ZINC000192447636 823996463 /nfs/dbraw/zinc/99/64/63/823996463.db2.gz WZIYQRYWGXGSLQ-UHFFFAOYSA-N 1 0 399.362 4.279 20 0 GIADRO Cc1ccccc1NC(=O)[C@H](C)[NH2+][C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000575789851 823996536 /nfs/dbraw/zinc/99/65/36/823996536.db2.gz FKXDSISUNGMQMX-GKCIPKSASA-N 1 0 389.902 4.150 20 0 GIADRO C[C@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2OCc2ccccn2)CS1 ZINC000414503263 823996827 /nfs/dbraw/zinc/99/68/27/823996827.db2.gz QKELXFYEPSYECT-SUMWQHHRSA-N 1 0 393.350 4.407 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]C[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)cc1O ZINC000575791366 823997158 /nfs/dbraw/zinc/99/71/58/823997158.db2.gz JOPCRRXKQBINSK-DYVFJYSZSA-N 1 0 382.426 4.373 20 0 GIADRO COc1cc(C[NH2+][C@@H](C)[C@](C)(OC)C2CC2)ccc1OCc1c(C)noc1C ZINC000414506859 823997532 /nfs/dbraw/zinc/99/75/32/823997532.db2.gz XOZVKELQBFZTMK-AOMKIAJQSA-N 1 0 388.508 4.172 20 0 GIADRO C[C@@H](C[N@@H+]1C[C@@H](c2ccccc2)C2(CCC2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000414512003 823998885 /nfs/dbraw/zinc/99/88/85/823998885.db2.gz LZCJBSGHPXZSNN-AVRDEDQJSA-N 1 0 383.557 4.463 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)C2CCCC2)C1)c1cc(Cl)ccc1OC(F)F ZINC000127003993 823998799 /nfs/dbraw/zinc/99/87/99/823998799.db2.gz GNKQYEAOFIBRRE-SWLSCSKDSA-N 1 0 386.870 4.383 20 0 GIADRO CC(C)C[C@H]([NH3+])c1noc(-c2cc(OCC(F)(F)F)c3ccccc3n2)n1 ZINC000575802931 824000461 /nfs/dbraw/zinc/00/04/61/824000461.db2.gz YDFUHIKEZHLURR-LBPRGKRZSA-N 1 0 380.370 4.272 20 0 GIADRO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000575807765 824000947 /nfs/dbraw/zinc/00/09/47/824000947.db2.gz WWEYYFCYRMORDR-GFCCVEGCSA-N 1 0 393.890 4.245 20 0 GIADRO Cc1ccc(Br)c(C[NH2+]C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000414522343 824000875 /nfs/dbraw/zinc/00/08/75/824000875.db2.gz XEWKONXYIGPNFT-CQSZACIVSA-N 1 0 396.350 4.054 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)N[C@H](c2nccs2)c2ccccc2)[NH+](C)C)cc1 ZINC000170888249 824001015 /nfs/dbraw/zinc/00/10/15/824001015.db2.gz LJURLJZLKHOFDG-UXHICEINSA-N 1 0 394.544 4.143 20 0 GIADRO OCC1([C@@H]([NH2+]Cc2ccc(C(F)(F)F)s2)c2ccccc2)CCOCC1 ZINC000414522624 824001240 /nfs/dbraw/zinc/00/12/40/824001240.db2.gz BWVHGISFCJOXOW-KRWDZBQOSA-N 1 0 385.451 4.387 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N(Cc2cccnc2)C2CC2)cc1 ZINC000170890383 824001448 /nfs/dbraw/zinc/00/14/48/824001448.db2.gz WHSFPUTWARNABG-IBGZPJMESA-N 1 0 392.547 4.330 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)[C@H]1CCCc2cccnc21 ZINC000192466378 824002157 /nfs/dbraw/zinc/00/21/57/824002157.db2.gz QWKOOLNHMYSWQQ-QFIPXVFZSA-N 1 0 377.532 4.194 20 0 GIADRO CC[C@H](C)[N@H+](CCc1ccncc1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000192470744 824003443 /nfs/dbraw/zinc/00/34/43/824003443.db2.gz VUTGPTYVLVTKAX-HNNXBMFYSA-N 1 0 379.426 4.382 20 0 GIADRO CC1(C)[C@H]([NH2+][C@H]2CCN(C(=O)Nc3ccccc3)C2)C[C@H]1Oc1ccccc1 ZINC000575821361 824003513 /nfs/dbraw/zinc/00/35/13/824003513.db2.gz XXFGPFIYFFMZOT-CEWLAPEOSA-N 1 0 379.504 4.129 20 0 GIADRO OCC1([C@H]([NH2+]Cc2cnn(CC(F)(F)F)c2)c2ccccc2)CCCCC1 ZINC000414534206 824003600 /nfs/dbraw/zinc/00/36/00/824003600.db2.gz USQXVXHYRXMBHC-GOSISDBHSA-N 1 0 381.442 4.219 20 0 GIADRO COc1ccc2oc(C[NH2+][C@@H](c3ccccc3)C3(CO)CCOCC3)cc2c1 ZINC000414531811 824003659 /nfs/dbraw/zinc/00/36/59/824003659.db2.gz CVJVNKBJUSVRHG-QFIPXVFZSA-N 1 0 381.472 4.061 20 0 GIADRO OCC1([C@@H]([NH2+]Cc2ccc(OCC3CC3)cc2)c2ccccc2)CCOCC1 ZINC000414534467 824004046 /nfs/dbraw/zinc/00/40/46/824004046.db2.gz GIBQYHUYAFTZCL-QHCPKHFHSA-N 1 0 381.516 4.095 20 0 GIADRO CC(C)COc1ccc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCOCC2)cc1 ZINC000414534239 824004073 /nfs/dbraw/zinc/00/40/73/824004073.db2.gz GBOKKBCDIQJVFT-QHCPKHFHSA-N 1 0 383.532 4.341 20 0 GIADRO Cc1ccccc1[C@H](OC[C@H](O)C[NH2+][C@@H](C)c1ccccn1)c1ccccc1 ZINC000192474029 824004907 /nfs/dbraw/zinc/00/49/07/824004907.db2.gz SUJJUJCXNMIYTG-XZDHIHRUSA-N 1 0 376.500 4.208 20 0 GIADRO OCC1([C@@H]([NH2+]Cc2cccc(-c3ccccn3)c2)c2ccccc2)CCOCC1 ZINC000414539760 824005775 /nfs/dbraw/zinc/00/57/75/824005775.db2.gz NXQHLTIWWSHGCV-DEOSSOPVSA-N 1 0 388.511 4.369 20 0 GIADRO CCOc1cc(C[N@@H+]2CC3(CCOCC3)[C@@H]2C(C)C)cc(Br)c1O ZINC000414542363 824006471 /nfs/dbraw/zinc/00/64/71/824006471.db2.gz RHLCIKDXOBMIIV-SFHVURJKSA-N 1 0 398.341 4.190 20 0 GIADRO CCOc1cc(C[N@@H+]2CC3(CCOCC3)[C@H]2C(C)C)cc(Br)c1O ZINC000414542362 824006536 /nfs/dbraw/zinc/00/65/36/824006536.db2.gz RHLCIKDXOBMIIV-GOSISDBHSA-N 1 0 398.341 4.190 20 0 GIADRO Cc1ccccc1OCCCC(=O)Nc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2C)cc1 ZINC000192478820 824006894 /nfs/dbraw/zinc/00/68/94/824006894.db2.gz HZHWGGYJLOMUBT-SIKLNZKXSA-N 1 0 396.531 4.307 20 0 GIADRO OC[C@@H]([NH2+]Cc1cccc(Oc2cccc(C(F)(F)F)c2)c1)[C@H]1CCCOC1 ZINC000414544808 824007076 /nfs/dbraw/zinc/00/70/76/824007076.db2.gz FNOCPUYXGGZTII-OXJNMPFZSA-N 1 0 395.421 4.375 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)CCSc2nc3ccccc3s2)c1 ZINC000192480852 824007405 /nfs/dbraw/zinc/00/74/05/824007405.db2.gz FDBLWBSVYPJIFT-UHFFFAOYSA-N 1 0 385.558 4.157 20 0 GIADRO COc1ccc2c(c1)CCC[C@H]2c1noc(-c2ccccc2OCC[NH+](C)C)n1 ZINC000575835939 824007687 /nfs/dbraw/zinc/00/76/87/824007687.db2.gz RZDKKXUAFIINSS-LJQANCHMSA-N 1 0 393.487 4.154 20 0 GIADRO Fc1cccc(-c2ccc(C[NH2+]Cc3ccc(Cn4cncn4)cc3)o2)c1F ZINC000575837037 824008262 /nfs/dbraw/zinc/00/82/62/824008262.db2.gz ICOLDJGUPCBQJI-UHFFFAOYSA-N 1 0 380.398 4.154 20 0 GIADRO CC[C@@H](C)Oc1ccccc1/C=C/C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000170934447 824008556 /nfs/dbraw/zinc/00/85/56/824008556.db2.gz FASIFURWGQPTCR-CSHXORCISA-N 1 0 393.531 4.053 20 0 GIADRO CC(C)(C)OC(=O)CC[C@@H]1CCC[N@H+](Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000414551121 824009421 /nfs/dbraw/zinc/00/94/21/824009421.db2.gz AWVDQLQSISJFJD-DOTOQJQBSA-N 1 0 380.554 4.329 20 0 GIADRO O=C(CC/C=C/c1ccccc1)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000127067953 824010590 /nfs/dbraw/zinc/01/05/90/824010590.db2.gz ZOODBFVWGWBVNW-RUDMXATFSA-N 1 0 378.516 4.323 20 0 GIADRO OC[C@H]([NH2+]Cc1ccc(-c2cccc(Br)c2)s1)[C@@H]1CCCOC1 ZINC000414558359 824011692 /nfs/dbraw/zinc/01/16/92/824011692.db2.gz OPQXEXGQNPDDMH-PBHICJAKSA-N 1 0 396.350 4.055 20 0 GIADRO C[C@H]([NH2+]Cc1ccc2c(c1)sc(=O)n2C)c1ccc(OCC(F)(F)F)cc1 ZINC000192503003 824013009 /nfs/dbraw/zinc/01/30/09/824013009.db2.gz UHEUPUYEAWUTDO-LBPRGKRZSA-N 1 0 396.434 4.392 20 0 GIADRO Cc1ccc2oc(C(=O)Nc3cccc(C[NH+]4CCC(CO)CC4)c3)cc2c1 ZINC000127081321 824013298 /nfs/dbraw/zinc/01/32/98/824013298.db2.gz NGPVVBQPHFZVCO-UHFFFAOYSA-N 1 0 378.472 4.198 20 0 GIADRO Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000127081874 824013731 /nfs/dbraw/zinc/01/37/31/824013731.db2.gz JJXNFQOPFNPJDB-ZDUSSCGKSA-N 1 0 397.466 4.181 20 0 GIADRO COc1ccc([C@@H]([NH2+][C@@H]2CCN(C(=O)Nc3ccccc3)C2)C(C)C)c(F)c1 ZINC000575859542 824014370 /nfs/dbraw/zinc/01/43/70/824014370.db2.gz OPMIHLIWRFFRME-UTKZUKDTSA-N 1 0 385.483 4.427 20 0 GIADRO CSCc1cc(F)ccc1CNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000127088468 824014798 /nfs/dbraw/zinc/01/47/98/824014798.db2.gz PIZQTRIJTURVAP-UHFFFAOYSA-N 1 0 393.572 4.285 20 0 GIADRO CCOC(=O)Nc1ccc(NC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000127088674 824014933 /nfs/dbraw/zinc/01/49/33/824014933.db2.gz ICCUPNKAQJORJO-FQEVSTJZSA-N 1 0 396.491 4.214 20 0 GIADRO CC1(C)Oc2ccc(NC(=O)NC3CC[NH+](CCc4ccccc4)CC3)cc2O1 ZINC000192508465 824014950 /nfs/dbraw/zinc/01/49/50/824014950.db2.gz HOQYQMFBOMPESE-UHFFFAOYSA-N 1 0 395.503 4.023 20 0 GIADRO Cc1cccc(Oc2ccccc2C(=O)N2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000575860345 824015156 /nfs/dbraw/zinc/01/51/56/824015156.db2.gz AMTCBMHCWCTCIQ-AUSIDOKSSA-N 1 0 394.515 4.146 20 0 GIADRO CC[C@@H]1c2ccsc2CCN1C(=O)C[NH2+][C@@H](c1ccc(OC)cc1)C1CC1 ZINC000192509388 824015378 /nfs/dbraw/zinc/01/53/78/824015378.db2.gz JAVIBZQYMKXUDF-DENIHFKCSA-N 1 0 384.545 4.333 20 0 GIADRO COCc1ccc(NC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)cc1 ZINC000192512648 824016444 /nfs/dbraw/zinc/01/64/44/824016444.db2.gz VHZOFTCBJYIRJR-UHFFFAOYSA-N 1 0 381.520 4.005 20 0 GIADRO CN(Cc1ccc(F)cc1Cl)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000170963429 824020736 /nfs/dbraw/zinc/02/07/36/824020736.db2.gz MGLIQCVTMXPNSK-UHFFFAOYSA-N 1 0 389.902 4.417 20 0 GIADRO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000575889790 824020869 /nfs/dbraw/zinc/02/08/69/824020869.db2.gz OAHBCQQFOAYKTA-YYWHXJBOSA-N 1 0 393.499 4.482 20 0 GIADRO CCn1c2ccccc2nc1C[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000575889230 824020897 /nfs/dbraw/zinc/02/08/97/824020897.db2.gz KQWXWFNTHGFQAA-CQSZACIVSA-N 1 0 391.441 4.188 20 0 GIADRO O=C(Nc1cc(C(F)(F)F)ccc1Cl)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000414665228 824021880 /nfs/dbraw/zinc/02/18/80/824021880.db2.gz DYISUUWXBCLKRV-LBPRGKRZSA-N 1 0 375.822 4.212 20 0 GIADRO O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414675675 824022616 /nfs/dbraw/zinc/02/26/16/824022616.db2.gz GKQHQZSVXSTHOQ-PHIMTYICSA-N 1 0 395.347 4.188 20 0 GIADRO Cc1cc2oc(=O)cc(C[NH2+]C3(c4ccc(F)cc4)CCOCC3)c2cc1C ZINC000170970822 824023185 /nfs/dbraw/zinc/02/31/85/824023185.db2.gz KMEUAANNZNNFMK-UHFFFAOYSA-N 1 0 381.447 4.344 20 0 GIADRO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@@H](CC(C)(C)C)c1ccccc1 ZINC000414688708 824023634 /nfs/dbraw/zinc/02/36/34/824023634.db2.gz DYQJJUSNJDRHSR-FQEVSTJZSA-N 1 0 381.520 4.028 20 0 GIADRO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)cc1 ZINC000414691577 824024177 /nfs/dbraw/zinc/02/41/77/824024177.db2.gz JTKBNAQDLFUIRB-IFXJQAMLSA-N 1 0 385.483 4.078 20 0 GIADRO COCCNc1ccc(C[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000127135484 824024181 /nfs/dbraw/zinc/02/41/81/824024181.db2.gz IZXXYXPPCMOQDX-UHFFFAOYSA-N 1 0 387.955 4.153 20 0 GIADRO CC(C)(C)OC(=O)Nc1cccc(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000170973737 824024511 /nfs/dbraw/zinc/02/45/11/824024511.db2.gz QLCGBFFZFWZNMM-LJQANCHMSA-N 1 0 387.524 4.124 20 0 GIADRO [NH3+][C@@H]1CN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC[C@H]1c1ccc(F)cc1 ZINC000414696117 824024608 /nfs/dbraw/zinc/02/46/08/824024608.db2.gz VJASURUAAMJDLD-DLBZAZTESA-N 1 0 381.373 4.193 20 0 GIADRO [NH3+]CC[C@@H]1CCCN(C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)C1 ZINC000414715518 824026033 /nfs/dbraw/zinc/02/60/33/824026033.db2.gz QYCZKKLTHLYRCQ-JTQLQIEISA-N 1 0 394.235 4.061 20 0 GIADRO CCCCCN(Cc1ccc(F)cc1)C(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000414716900 824026149 /nfs/dbraw/zinc/02/61/49/824026149.db2.gz PCQBHFUAVZMUJU-MRXNPFEDSA-N 1 0 385.483 4.003 20 0 GIADRO COc1ccc(Oc2ccc(Cl)cc2NC(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)cc1 ZINC000414722548 824026970 /nfs/dbraw/zinc/02/69/70/824026970.db2.gz GGETUSODRBRKCM-SUMWQHHRSA-N 1 0 389.883 4.342 20 0 GIADRO Cc1ccc(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1C(=O)N(C)C(C)C ZINC000192546313 824027830 /nfs/dbraw/zinc/02/78/30/824027830.db2.gz IFARANLKKPUNIP-SFHVURJKSA-N 1 0 385.552 4.069 20 0 GIADRO CCOc1ccc(Oc2ccc(NC(=O)N3C[C@@H](C)[C@](C)(C[NH3+])C3)cc2)cc1 ZINC000414724879 824027939 /nfs/dbraw/zinc/02/79/39/824027939.db2.gz KTBZXKPYOBUKSR-OPAMFIHVSA-N 1 0 383.492 4.326 20 0 GIADRO C[C@@]1(C[NH3+])CCN(C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)C1 ZINC000414728074 824028721 /nfs/dbraw/zinc/02/87/21/824028721.db2.gz BYTWOMUUPFBQCL-KRWDZBQOSA-N 1 0 399.347 4.243 20 0 GIADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)C1 ZINC000414726788 824028861 /nfs/dbraw/zinc/02/88/61/824028861.db2.gz ACSCSHZDHNIJLJ-JQWIXIFHSA-N 1 0 399.347 4.242 20 0 GIADRO O[C@@H](c1ccc(F)cc1)C1CC[NH+](C[C@@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000170988513 824029310 /nfs/dbraw/zinc/02/93/10/824029310.db2.gz UZCNHOFHECYQDL-UXHICEINSA-N 1 0 397.412 4.324 20 0 GIADRO COCc1ccc(NC(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCCC2)cc1 ZINC000192550665 824029363 /nfs/dbraw/zinc/02/93/63/824029363.db2.gz KRZNYNZKBJQCEN-OAQYLSRUSA-N 1 0 397.519 4.190 20 0 GIADRO COc1cccc(C2(C[NH2+][C@@H](C)C(=O)Nc3c(F)cccc3F)CCCC2)c1 ZINC000170991645 824029952 /nfs/dbraw/zinc/02/99/52/824029952.db2.gz AYSJLXIGMYTPNR-HNNXBMFYSA-N 1 0 388.458 4.402 20 0 GIADRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)Nc1ccccc1-c1nc2ccccc2s1 ZINC000414744149 824031887 /nfs/dbraw/zinc/03/18/87/824031887.db2.gz WLKZZKWKOABMKJ-SFHVURJKSA-N 1 0 380.517 4.473 20 0 GIADRO CC[NH2+]CC1CCN(C(=O)Nc2ncc(Cc3ccccc3Cl)s2)CC1 ZINC000414742841 824032011 /nfs/dbraw/zinc/03/20/11/824032011.db2.gz UMSCCAKQRKFFSS-UHFFFAOYSA-N 1 0 392.956 4.241 20 0 GIADRO C[C@]1(C[NH3+])CCN(C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)C1 ZINC000414745015 824032298 /nfs/dbraw/zinc/03/22/98/824032298.db2.gz KFTJVPMFSGMJBA-MRXNPFEDSA-N 1 0 384.427 4.032 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)NC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000414746395 824032325 /nfs/dbraw/zinc/03/23/25/824032325.db2.gz YURPMCPWRSYXOO-OAQYLSRUSA-N 1 0 391.519 4.434 20 0 GIADRO CC(C)(CCC[NH3+])NC(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000414745482 824032330 /nfs/dbraw/zinc/03/23/30/824032330.db2.gz KLRUCTVHHZHYEZ-UHFFFAOYSA-N 1 0 386.443 4.468 20 0 GIADRO C[C@H]1CCN(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)C[C@H]1C[NH3+] ZINC000414750652 824033256 /nfs/dbraw/zinc/03/32/56/824033256.db2.gz MHELPEUIAPEGCN-GOEBONIOSA-N 1 0 380.517 4.412 20 0 GIADRO C[C@@H]1CN(C(=O)c2cccc(NC(=O)C3CCCCC3)c2)CC[N@@H+](C2CCC2)C1 ZINC000575943939 824033965 /nfs/dbraw/zinc/03/39/65/824033965.db2.gz WCQBPQNLLPYZNL-SFHVURJKSA-N 1 0 397.563 4.152 20 0 GIADRO CO[C@H]1CCN(C(=O)Nc2ccccc2Oc2ccccc2Cl)[C@@H](C[NH3+])C1 ZINC000414763772 824034161 /nfs/dbraw/zinc/03/41/61/824034161.db2.gz NMFMHKKXXABVJG-CABCVRRESA-N 1 0 389.883 4.102 20 0 GIADRO CCCN(C(=O)Nc1ccc(OC)c(Cc2ccccc2)c1)C1CC[NH2+]CC1 ZINC000414761779 824034286 /nfs/dbraw/zinc/03/42/86/824034286.db2.gz KBBGAVIBAYYWHG-UHFFFAOYSA-N 1 0 381.520 4.282 20 0 GIADRO COCc1ccc(NC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000192567237 824034306 /nfs/dbraw/zinc/03/43/06/824034306.db2.gz NJVUKPUZBAHEMR-AVRDEDQJSA-N 1 0 381.520 4.350 20 0 GIADRO C[C@@H]([NH3+])c1ccc(CNC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)cc1 ZINC000414765194 824034368 /nfs/dbraw/zinc/03/43/68/824034368.db2.gz ZKRJJDQODJNCJQ-OAHLLOKOSA-N 1 0 375.476 4.091 20 0 GIADRO COc1ccccc1Oc1ccc(NC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000414773430 824035002 /nfs/dbraw/zinc/03/50/02/824035002.db2.gz AGIKYZVXTBLQIL-SNRMKQJTSA-N 1 0 381.476 4.079 20 0 GIADRO CO[C@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)[C@@H](C[NH3+])C1 ZINC000414775020 824035075 /nfs/dbraw/zinc/03/50/75/824035075.db2.gz BIIOWHWEFWBPKL-WBVHZDCISA-N 1 0 389.883 4.102 20 0 GIADRO COCc1ccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000192570629 824035091 /nfs/dbraw/zinc/03/50/91/824035091.db2.gz GSKGJBUTYWNQNU-JTHBVZDNSA-N 1 0 393.531 4.351 20 0 GIADRO [NH3+]CCN(CCc1ccccc1)C(=O)Nc1ccccc1N1CCCCCC1 ZINC000414779127 824035286 /nfs/dbraw/zinc/03/52/86/824035286.db2.gz HLFLBQKJNRZWJU-UHFFFAOYSA-N 1 0 380.536 4.102 20 0 GIADRO [NH3+]C[C@H]1CC[C@H](CNC(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)CC1 ZINC000414777740 824035332 /nfs/dbraw/zinc/03/53/32/824035332.db2.gz OTDIILDQPBMLCM-QAQDUYKDSA-N 1 0 395.507 4.217 20 0 GIADRO C[C@H]([NH2+]C1(CNC(=O)[C@H]2CCCc3cccnc32)CCCC1)c1ccccc1 ZINC000192570917 824035451 /nfs/dbraw/zinc/03/54/51/824035451.db2.gz YSWBBGQTWGHWHC-RXVVDRJESA-N 1 0 377.532 4.281 20 0 GIADRO CCCN(C(=O)Nc1cc(Cl)ccc1OCC(F)(F)F)C1CC[NH2+]CC1 ZINC000414787452 824036504 /nfs/dbraw/zinc/03/65/04/824036504.db2.gz LVSOZEXCRDJDJE-UHFFFAOYSA-N 1 0 393.837 4.277 20 0 GIADRO Cc1ccc(NC(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)cc1Br ZINC000414797484 824037381 /nfs/dbraw/zinc/03/73/81/824037381.db2.gz YSBFJEPDIWTXJA-RHSMWYFYSA-N 1 0 380.330 4.144 20 0 GIADRO C[NH2+][C@@H]1CCCN(C(=O)Nc2ccc(OC(F)F)c(Cc3ccccc3)c2)C1 ZINC000414797009 824037389 /nfs/dbraw/zinc/03/73/89/824037389.db2.gz VZYGOTLNOQZQMO-GOSISDBHSA-N 1 0 389.446 4.095 20 0 GIADRO CC[C@@H]([NH2+][C@@H]1c2ccccc2CC12CCOCC2)C(=O)Nc1ccc(OC)cc1 ZINC000575958462 824037742 /nfs/dbraw/zinc/03/77/42/824037742.db2.gz RSKITNBSEBHCQR-FGZHOGPDSA-N 1 0 394.515 4.096 20 0 GIADRO C[NH2+]CCC1CCN(C(=O)Nc2ccccc2OCCc2ccccc2)CC1 ZINC000414813741 824038632 /nfs/dbraw/zinc/03/86/32/824038632.db2.gz QZIMVHSPGWLAIY-UHFFFAOYSA-N 1 0 381.520 4.162 20 0 GIADRO C[NH2+]CCC1CCN(C(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2C)CC1 ZINC000414842435 824041106 /nfs/dbraw/zinc/04/11/06/824041106.db2.gz MTYBXWYTSPAVGF-UHFFFAOYSA-N 1 0 394.519 4.101 20 0 GIADRO C[NH2+]C[C@@H](C)CNCc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000414845893 824041140 /nfs/dbraw/zinc/04/11/40/824041140.db2.gz UBILERMUOWFSRK-CYBMUJFWSA-N 1 0 380.319 4.191 20 0 GIADRO O=C(CC[NH+]1CCC(c2ccncn2)CC1)Nc1ccccc1-c1ccccc1 ZINC000575968592 824041160 /nfs/dbraw/zinc/04/11/60/824041160.db2.gz PCECAEXVFXRSNY-UHFFFAOYSA-N 1 0 386.499 4.352 20 0 GIADRO CC(C)(C)c1cc(NC(=O)N2CC[C@@](C)(C[NH3+])C2)n(-c2cccc(Cl)c2)n1 ZINC000414846831 824041633 /nfs/dbraw/zinc/04/16/33/824041633.db2.gz IFZRPAWRXHPWCV-FQEVSTJZSA-N 1 0 389.931 4.026 20 0 GIADRO CC[C@H](NC(=O)Nc1ccc2c(c1)C[NH2+]CCO2)c1ccccc1OC(F)F ZINC000575971072 824041814 /nfs/dbraw/zinc/04/18/14/824041814.db2.gz GVGSMVRGFUALJA-INIZCTEOSA-N 1 0 391.418 4.043 20 0 GIADRO COCc1ccc(NC(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)cc1 ZINC000192599430 824042398 /nfs/dbraw/zinc/04/23/98/824042398.db2.gz PMRTZYXMMNWRNK-GOSISDBHSA-N 1 0 395.425 4.276 20 0 GIADRO Cc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000414856304 824043141 /nfs/dbraw/zinc/04/31/41/824043141.db2.gz YRHGMGXPHNNBHH-IAGOWNOFSA-N 1 0 383.540 4.069 20 0 GIADRO Cc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000414856305 824043146 /nfs/dbraw/zinc/04/31/46/824043146.db2.gz YRHGMGXPHNNBHH-IRXDYDNUSA-N 1 0 383.540 4.069 20 0 GIADRO CC[NH2+]Cc1ccccc1NCc1csc(COc2ccc(OC)cc2)n1 ZINC000414873839 824043948 /nfs/dbraw/zinc/04/39/48/824043948.db2.gz XYDNVGHTYIVKJJ-UHFFFAOYSA-N 1 0 383.517 4.452 20 0 GIADRO FC(F)(F)c1cc(C[NH2+]CCCNCc2cccnc2)cc(C(F)(F)F)c1 ZINC000414878508 824044310 /nfs/dbraw/zinc/04/43/10/824044310.db2.gz NYEXXWIYXWWRFD-UHFFFAOYSA-N 1 0 391.359 4.389 20 0 GIADRO COc1ccc([C@H]2CC[NH2+]C[C@@H]2NCc2cnc(-c3ccccc3)s2)cc1 ZINC000414884919 824044882 /nfs/dbraw/zinc/04/48/82/824044882.db2.gz OKPDKRHIBGRWFC-RTWAWAEBSA-N 1 0 379.529 4.054 20 0 GIADRO O=C([C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000171043565 824045674 /nfs/dbraw/zinc/04/56/74/824045674.db2.gz JRSVTJRUQPBRJO-KBAYOESNSA-N 1 0 380.454 4.286 20 0 GIADRO Cc1cc(Br)cc(C)c1NC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000414893187 824046608 /nfs/dbraw/zinc/04/66/08/824046608.db2.gz YBVDRZCUQGXUQS-DLBZAZTESA-N 1 0 388.309 4.025 20 0 GIADRO COc1ccc([C@H]2CC[NH2+]C[C@H]2NCc2csc(-c3cccs3)n2)cc1 ZINC000414894562 824046633 /nfs/dbraw/zinc/04/66/33/824046633.db2.gz ZOUCRUDLUWOSNR-QZTJIDSGSA-N 1 0 385.558 4.116 20 0 GIADRO C[C@H]1C[NH2+]CC[C@@H]1NCc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000414948758 824053407 /nfs/dbraw/zinc/05/34/07/824053407.db2.gz YZVVHVRHFBKNDG-DJJJIMSYSA-N 1 0 392.330 4.333 20 0 GIADRO CCCN(Cc1nnc(-c2ccco2)o1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000171065949 824053643 /nfs/dbraw/zinc/05/36/43/824053643.db2.gz DUDYQGLVHMPCHF-LJQANCHMSA-N 1 0 380.492 4.206 20 0 GIADRO CC[C@@H](c1ccccc1)[NH+]1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1 ZINC000171065611 824053848 /nfs/dbraw/zinc/05/38/48/824053848.db2.gz SIARUDWGFXYXQI-IERDGZPVSA-N 1 0 392.499 4.452 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)CC1 ZINC000171066406 824054284 /nfs/dbraw/zinc/05/42/84/824054284.db2.gz YLXDQKRJPNCYLN-CVEARBPZSA-N 1 0 378.472 4.062 20 0 GIADRO COc1cccc(Oc2ccc(NC(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)cc2)c1 ZINC000414968031 824055689 /nfs/dbraw/zinc/05/56/89/824055689.db2.gz FJDGRQPJOAHPAI-IWMITWMQSA-N 1 0 381.476 4.079 20 0 GIADRO COC(=O)CC1([NH2+]Cc2cc(C(F)(F)F)ccc2Br)CCC1 ZINC000576037805 824055804 /nfs/dbraw/zinc/05/58/04/824055804.db2.gz XDPXUNMMIOQACY-UHFFFAOYSA-N 1 0 380.204 4.043 20 0 GIADRO [NH3+][C@H]1CCC[C@@H](CNC(=O)Nc2ccc(Br)cc2C(F)(F)F)C1 ZINC000414972302 824055923 /nfs/dbraw/zinc/05/59/23/824055923.db2.gz JUJCROVDMAQQPH-KOLCDFICSA-N 1 0 394.235 4.107 20 0 GIADRO C[C@H]1C[C@@H]([NH2+]C2CCN(CCC(F)(F)F)CC2)CCN1Cc1ccccc1 ZINC000359994431 206276714 /nfs/dbraw/zinc/27/67/14/206276714.db2.gz BMGOROQQRIOKNT-PXNSSMCTSA-N 1 0 383.502 4.046 20 0 GIADRO CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-n2nc(C)cc2C)c2ccccc2C1 ZINC000359991613 206277009 /nfs/dbraw/zinc/27/70/09/206277009.db2.gz DZKBFPRYXDELCK-HSZRJFAPSA-N 1 0 388.515 4.072 20 0 GIADRO COc1cc2c(cc1C[N@H+](CCc1ccccc1)Cc1ccncc1)OCO2 ZINC000013990132 207005537 /nfs/dbraw/zinc/00/55/37/207005537.db2.gz KDDQJZHMDXCYQQ-UHFFFAOYSA-N 1 0 376.456 4.064 20 0 GIADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc(Br)ccc1Cl ZINC000037976366 207238577 /nfs/dbraw/zinc/23/85/77/207238577.db2.gz FNTZNETXHDPLPE-GFCCVEGCSA-N 1 0 375.738 4.343 20 0 GIADRO CSc1ccc(C(=O)Nc2cc(Cl)ccc2N2CC[NH+](C)CC2)cc1 ZINC000024049061 207285919 /nfs/dbraw/zinc/28/59/19/207285919.db2.gz GXLRCQIBKSBEFW-UHFFFAOYSA-N 1 0 375.925 4.066 20 0 GIADRO Cc1ccccc1C[N@@H+]1CC[C@@]2(C1)COCc1c(C)nc(-c3ccccc3)nc12 ZINC000096080414 208262344 /nfs/dbraw/zinc/26/23/44/208262344.db2.gz ZJBZVPYLYZFRHI-RUZDIDTESA-N 1 0 385.511 4.434 20 0 GIADRO [NH3+]C[C@H]1CCN(C(=O)c2sc3cccc(F)c3c2COc2ccccc2)C1 ZINC000178587490 570330225 /nfs/dbraw/zinc/33/02/25/570330225.db2.gz KPJKQGYJQHVSLD-CQSZACIVSA-N 1 0 384.476 4.040 20 0 GIADRO FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1CCC2(CCCC[NH2+]2)CC1 ZINC001164388080 718803656 /nfs/dbraw/zinc/80/36/56/718803656.db2.gz RTFMJWWEHFSOKH-UHFFFAOYSA-N 1 0 392.881 4.454 20 0 GIADRO [NH3+]CC1(F)CCN(C(F)(F)c2ccc3nc(Cl)cc(Cl)c3c2)CC1 ZINC001164392666 718812511 /nfs/dbraw/zinc/81/25/11/718812511.db2.gz NQGFHGUHDWZVKP-UHFFFAOYSA-N 1 0 378.225 4.354 20 0 GIADRO Fc1ccc(C(F)(F)N2[C@@H](C(F)(F)F)CCC23CC[NH2+]CC3)nc1Cl ZINC001164414449 718879919 /nfs/dbraw/zinc/87/99/19/718879919.db2.gz UJJFOQHDXUPJEN-LLVKDONJSA-N 1 0 387.755 4.072 20 0 GIADRO c1ccc(C[N@@H+]2C[C@H]3CCCN(c4cc(Oc5ccccc5)ncn4)[C@H]3C2)cc1 ZINC001164621861 719064165 /nfs/dbraw/zinc/06/41/65/719064165.db2.gz IAFZSVQYXOUZQC-IRLDBZIGSA-N 1 0 386.499 4.370 20 0 GIADRO Cc1c[nH]c2nc(Cl)nc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)c12 ZINC001164625937 719069880 /nfs/dbraw/zinc/06/98/80/719069880.db2.gz NTGHREHBQDFJMK-SJORKVTESA-N 1 0 381.911 4.021 20 0 GIADRO Clc1ccc2c(cnnc2N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001164626602 719080432 /nfs/dbraw/zinc/08/04/32/719080432.db2.gz OSKQEFBNGAXNQW-LAUBAEHRSA-N 1 0 378.907 4.384 20 0 GIADRO c1csc(-c2ccc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)nn2)c1 ZINC001164621670 719086059 /nfs/dbraw/zinc/08/60/59/719086059.db2.gz HKAFZQQORJYWIU-ICSRJNTNSA-N 1 0 376.529 4.306 20 0 GIADRO Fc1ccc(-c2ccc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)nn2)cc1 ZINC001164625169 719100964 /nfs/dbraw/zinc/10/09/64/719100964.db2.gz GXZWGFICYPTFJJ-REWPJTCUSA-N 1 0 388.490 4.384 20 0 GIADRO Fc1cccc(-c2ccc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)nn2)c1 ZINC001164632520 719103552 /nfs/dbraw/zinc/10/35/52/719103552.db2.gz ZQZNIDJWYKCPHE-NFBKMPQASA-N 1 0 388.490 4.384 20 0 GIADRO CC(C)N(C)Cc1nn(-c2cc(-c3ccccc3)cc(Cl)n2)c2c1CC[NH2+]C2 ZINC001164681198 719621392 /nfs/dbraw/zinc/62/13/92/719621392.db2.gz CMFHXAHOCFZWCR-UHFFFAOYSA-N 1 0 395.938 4.074 20 0 GIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(Cl)nc(C)c2C)CC3)cs1 ZINC001164692862 719803206 /nfs/dbraw/zinc/80/32/06/719803206.db2.gz QBIYFJOVJYJDLX-UHFFFAOYSA-N 1 0 391.972 4.147 20 0 GIADRO Cc1c[nH]c2nc(N3CCC4(CCC[N@H+]4Cc4csc(C)n4)CC3)ccc12 ZINC001164694536 719806824 /nfs/dbraw/zinc/80/68/24/719806824.db2.gz ZZSCYINMCIWPGP-UHFFFAOYSA-N 1 0 381.549 4.271 20 0 GIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nccc4cnccc42)CC3)cs1 ZINC001164692082 719811454 /nfs/dbraw/zinc/81/14/54/719811454.db2.gz LJQMDSFHVYILIX-UHFFFAOYSA-N 1 0 379.533 4.030 20 0 GIADRO c1csc(C[N@@H+]2CCOC3(CCN(c4ccc5ccccc5n4)CC3)C2)c1 ZINC001164698160 719886049 /nfs/dbraw/zinc/88/60/49/719886049.db2.gz DJMZOXUVIWCKIW-UHFFFAOYSA-N 1 0 379.529 4.168 20 0 GIADRO Clc1cnc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c(Cl)c1 ZINC001164705368 719886664 /nfs/dbraw/zinc/88/66/64/719886664.db2.gz YISMECBWXITKEV-UHFFFAOYSA-N 1 0 398.359 4.321 20 0 GIADRO Fc1ccc2nc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)ccc2c1 ZINC001164695682 719891459 /nfs/dbraw/zinc/89/14/59/719891459.db2.gz QRSUFFNAUYBLNT-UHFFFAOYSA-N 1 0 397.519 4.307 20 0 GIADRO Fc1ccc2cc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)ncc2c1 ZINC001164707547 719899334 /nfs/dbraw/zinc/89/93/34/719899334.db2.gz TYBYCNYJROKFRH-UHFFFAOYSA-N 1 0 397.519 4.307 20 0 GIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc3c(C)ccc(F)c3cc1C)C2 ZINC001164813241 720137717 /nfs/dbraw/zinc/13/77/17/720137717.db2.gz PXJXVXBTMHIUGA-CYFREDJKSA-N 1 0 397.538 4.175 20 0 GIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc3ccc(Cl)cc3n1)C2 ZINC001164811129 720137973 /nfs/dbraw/zinc/13/79/73/720137973.db2.gz LOJBYDJLJKLDKU-GCJKJVERSA-N 1 0 385.939 4.073 20 0 GIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(C)c3ccc(Cl)cc3n1)C2 ZINC001164815873 720139508 /nfs/dbraw/zinc/13/95/08/720139508.db2.gz WRMRUKJHIYYAGM-FDDCHVKYSA-N 1 0 399.966 4.381 20 0 GIADRO COc1cccc2c(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)cc(Cl)nc12 ZINC001164721184 720328608 /nfs/dbraw/zinc/32/86/08/720328608.db2.gz BAFWXKCRFKXMLO-MSOLQXFVSA-N 1 0 394.906 4.145 20 0 GIADRO COc1cccc2c(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)cc(Cl)nc12 ZINC001164721186 720330437 /nfs/dbraw/zinc/33/04/37/720330437.db2.gz BAFWXKCRFKXMLO-ROUUACIJSA-N 1 0 394.906 4.145 20 0 GIADRO COc1cnc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c2cc(Cl)ccc12 ZINC001164731286 720384657 /nfs/dbraw/zinc/38/46/57/720384657.db2.gz ZAMZPEOJQOIKMT-PMACEKPBSA-N 1 0 394.906 4.145 20 0 GIADRO COc1cnc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c2cc(Cl)ccc12 ZINC001164731289 720385578 /nfs/dbraw/zinc/38/55/78/720385578.db2.gz ZAMZPEOJQOIKMT-UXHICEINSA-N 1 0 394.906 4.145 20 0 GIADRO Clc1ncc(-c2ccccc2)c(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164725892 720388020 /nfs/dbraw/zinc/38/80/20/720388020.db2.gz OBXITKJPVUOPQG-VQTJNVASSA-N 1 0 391.906 4.045 20 0 GIADRO Clc1ncc(-c2ccccc2)c(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164725895 720388258 /nfs/dbraw/zinc/38/82/58/720388258.db2.gz OBXITKJPVUOPQG-WOJBJXKFSA-N 1 0 391.906 4.045 20 0 GIADRO Cc1ccc(F)c2cc(C)c(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)nc12 ZINC001164726512 720406008 /nfs/dbraw/zinc/40/60/08/720406008.db2.gz PAONMNVFOHQTCT-NHCUHLMSSA-N 1 0 376.479 4.239 20 0 GIADRO CC(C)c1nc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)cc(C(C)(C)C)n1 ZINC001164729325 720456529 /nfs/dbraw/zinc/45/65/29/720456529.db2.gz GYOCSDGEVYTWOO-RTBURBONSA-N 1 0 379.552 4.146 20 0 GIADRO Cc1ccc2nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)ccc2c1 ZINC001164840699 720507562 /nfs/dbraw/zinc/50/75/62/720507562.db2.gz XICCOENKHJXLLJ-QNWVGRARSA-N 1 0 389.547 4.118 20 0 GIADRO Cc1cccc2c1ccnc2N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164838519 720548017 /nfs/dbraw/zinc/54/80/17/720548017.db2.gz OGXWREKRIWFRHZ-MIZPHKNDSA-N 1 0 389.547 4.118 20 0 GIADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc3c(n1)CCCC3)CC2 ZINC001164845349 720682922 /nfs/dbraw/zinc/68/29/22/720682922.db2.gz YLEQCNHBMDSCKB-QFIPXVFZSA-N 1 0 391.559 4.220 20 0 GIADRO CSc1cnc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c(C)c1 ZINC001164841787 720707900 /nfs/dbraw/zinc/70/79/00/720707900.db2.gz XAKZGMMIWPEHSQ-FQEVSTJZSA-N 1 0 397.588 4.372 20 0 GIADRO CSCc1ccnc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164841667 720722626 /nfs/dbraw/zinc/72/26/26/720722626.db2.gz VLQHGVRSBWPFAS-NRFANRHFSA-N 1 0 397.588 4.205 20 0 GIADRO Cc1cc(C(C)C)nc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164840971 720725821 /nfs/dbraw/zinc/72/58/21/720725821.db2.gz TXWGGQWUDFFDHI-OAQYLSRUSA-N 1 0 394.563 4.168 20 0 GIADRO Cc1cc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)nc2c(C)cccc12 ZINC001164859873 720927623 /nfs/dbraw/zinc/92/76/23/720927623.db2.gz QHEZDAOHJNRWQV-GOSISDBHSA-N 1 0 377.536 4.470 20 0 GIADRO Cc1c(Cl)nc(C(C)C)nc1N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001164858807 721017212 /nfs/dbraw/zinc/01/72/12/721017212.db2.gz HEQYWTINHZEJRM-OAHLLOKOSA-N 1 0 390.963 4.180 20 0 GIADRO COc1cc2ccnc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@H]3C)c2cc1F ZINC001164861042 721018687 /nfs/dbraw/zinc/01/86/87/721018687.db2.gz NDBZEJWURPSLKQ-OAHLLOKOSA-N 1 0 397.498 4.000 20 0 GIADRO CC[C@@H](C)c1nc2[nH]ccc2c(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)n1 ZINC001164861031 721023812 /nfs/dbraw/zinc/02/38/12/721023812.db2.gz NBJYLEPYSVSQHL-CVEARBPZSA-N 1 0 395.555 4.089 20 0 GIADRO c1ccc([C@@H]2CO[C@@]3(C2)CCCN(c2ncccc2C[NH+]2CCCC2)C3)cc1 ZINC001164774267 721061392 /nfs/dbraw/zinc/06/13/92/721061392.db2.gz VTGSCYFHDISRPU-LADGPHEKSA-N 1 0 377.532 4.221 20 0 GIADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@H]2CC(=O)N3c2ccsc2)nc1 ZINC001164881281 721359496 /nfs/dbraw/zinc/35/94/96/721359496.db2.gz AVORWHIEXZIKPP-VAMGGRTRSA-N 1 0 396.560 4.074 20 0 GIADRO Cc1ccc2ncnc(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)c2c1 ZINC001164791946 721492701 /nfs/dbraw/zinc/49/27/01/721492701.db2.gz FZZHSLJPLVNZBC-UHFFFAOYSA-N 1 0 387.531 4.214 20 0 GIADRO Cc1nc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)nc2ccccc12 ZINC001164792319 721494234 /nfs/dbraw/zinc/49/42/34/721494234.db2.gz OKIRRXWYRQRPED-UHFFFAOYSA-N 1 0 387.531 4.214 20 0 GIADRO Cc1cc(C(C)C)nc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164796586 721504151 /nfs/dbraw/zinc/50/41/51/721504151.db2.gz SSBLRWVGSQTSEA-UHFFFAOYSA-N 1 0 379.552 4.184 20 0 GIADRO Cc1cccc2ccnc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c12 ZINC001164906518 721560582 /nfs/dbraw/zinc/56/05/82/721560582.db2.gz JRVUNEHZCKBGNQ-FPOVZHCZSA-N 1 0 377.463 4.024 20 0 GIADRO Fc1ccc(Cl)nc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164907920 721692586 /nfs/dbraw/zinc/69/25/86/721692586.db2.gz WNMGOJFVYNELMO-GOSISDBHSA-N 1 0 396.844 4.007 20 0 GIADRO Cc1ccnc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1Cl ZINC001164906667 721700734 /nfs/dbraw/zinc/70/07/34/721700734.db2.gz OGCKRCYVKFLQPU-LJQANCHMSA-N 1 0 392.881 4.176 20 0 GIADRO CC(C)Oc1cc[nH+]c(N2CCc3c(CN(C)Cc4ccco4)cncc3C2)c1 ZINC001164908963 721756433 /nfs/dbraw/zinc/75/64/33/721756433.db2.gz AGGRFHFGYUCPAK-UHFFFAOYSA-N 1 0 392.503 4.052 20 0 GIADRO Cc1[nH+]c(N2CCc3c(CN(C)Cc4ccco4)cncc3C2)cc2[nH]ccc21 ZINC001164910170 721759219 /nfs/dbraw/zinc/75/92/19/721759219.db2.gz PFTITVOCAZNKEP-UHFFFAOYSA-N 1 0 387.487 4.054 20 0 GIADRO Cc1csc2ncnc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c12 ZINC001165019641 721799746 /nfs/dbraw/zinc/79/97/46/721799746.db2.gz DKDZUCGRNFEXGZ-YTQUADARSA-N 1 0 393.560 4.132 20 0 GIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(Cl)nc4c3CCC4)C[C@H]21 ZINC001165025007 721806910 /nfs/dbraw/zinc/80/69/10/721806910.db2.gz NAUJJOWJWALGFY-OZOXKJRCSA-N 1 0 396.966 4.356 20 0 GIADRO CC(C)COc1cccc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165027312 721820417 /nfs/dbraw/zinc/82/04/17/721820417.db2.gz UHDMOCNJIVDXAJ-KSEOMHKRSA-N 1 0 394.563 4.248 20 0 GIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(-c4ccccc4)ncn3)C[C@@H]21 ZINC001165029647 721823141 /nfs/dbraw/zinc/82/31/41/721823141.db2.gz XJFRDSFWDMZWTQ-JCTONOIOSA-N 1 0 399.542 4.276 20 0 GIADRO Cc1cc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc(C(C)(C)C)n1 ZINC001165019923 721825811 /nfs/dbraw/zinc/82/58/11/721825811.db2.gz CNDXLMZVNVOPLL-SESVDKBCSA-N 1 0 393.579 4.214 20 0 GIADRO C[NH+](C)[C@@H]1CCCN(c2nc(Cl)nc(-c3ccc(-c4ccccc4)cc3)n2)C1 ZINC001165038999 721891458 /nfs/dbraw/zinc/89/14/58/721891458.db2.gz LEMZRXMHTABXEP-LJQANCHMSA-N 1 0 393.922 4.389 20 0 GIADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CC[C@H](c2ccncc2)C1 ZINC001165040817 721929899 /nfs/dbraw/zinc/92/98/99/721929899.db2.gz OXRVONZVUIPYFO-INIZCTEOSA-N 1 0 390.865 4.046 20 0 GIADRO CN(CC1CC[NH+](C)CC1)C(F)(F)c1ccc2nc(Cl)nc(Cl)c2c1 ZINC001165041261 721932972 /nfs/dbraw/zinc/93/29/72/721932972.db2.gz NFRRGKXHNQIALU-UHFFFAOYSA-N 1 0 389.277 4.260 20 0 GIADRO CN(CC1CC[NH+](C)CC1)c1nc(-c2cccnc2)nc2sc3c(c21)CCC3 ZINC000301210230 721937151 /nfs/dbraw/zinc/93/71/51/721937151.db2.gz UOCANPZHOXHRNH-UHFFFAOYSA-N 1 0 393.560 4.020 20 0 GIADRO COc1ccc(-c2nc3ccc(F)cc3c(N3CCC(C[NH+](C)C)CC3)n2)cc1 ZINC001165042252 721944121 /nfs/dbraw/zinc/94/41/21/721944121.db2.gz KXWCMEIPTJJQIT-UHFFFAOYSA-N 1 0 394.494 4.223 20 0 GIADRO C[NH+](C)CC1CCN(c2nc(-c3cccc(Cl)c3)nc3c2CCCC3)CC1 ZINC001165041939 721950278 /nfs/dbraw/zinc/95/02/78/721950278.db2.gz CTZHOWGZJWHVQS-UHFFFAOYSA-N 1 0 384.955 4.454 20 0 GIADRO c1cnc(N2CCCC[C@H]2CC[NH+]2CCCC2)c(C2SCCCS2)n1 ZINC001165046545 721968467 /nfs/dbraw/zinc/96/84/67/721968467.db2.gz GWAYJNBDXCDKLT-INIZCTEOSA-N 1 0 378.611 4.190 20 0 GIADRO Clc1cnc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c(Cl)c1 ZINC001164952730 722012613 /nfs/dbraw/zinc/01/26/13/722012613.db2.gz ASLIWPDAFZNDFG-UHFFFAOYSA-N 1 0 377.319 4.276 20 0 GIADRO Clc1ccc2ncnc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)c2c1 ZINC001164954885 722014745 /nfs/dbraw/zinc/01/47/45/722014745.db2.gz QIKHUMYEQWGFSE-UHFFFAOYSA-N 1 0 393.922 4.171 20 0 GIADRO c1csc(-c2ccc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)nn2)c1 ZINC001164955284 722019433 /nfs/dbraw/zinc/01/94/33/722019433.db2.gz DGOUOHZJQNUKIJ-UHFFFAOYSA-N 1 0 391.544 4.093 20 0 GIADRO c1ccc2c(c1)[C@H](OCC1CC1)[C@H]1CN(c3ncccc3C[NH+]3CCCC3)C[C@H]21 ZINC001164977443 722171686 /nfs/dbraw/zinc/17/16/86/722171686.db2.gz NXZWZRDDYAYVQL-SGNDLWITSA-N 1 0 389.543 4.379 20 0 GIADRO Cc1nc2sccc2c(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164993629 722190929 /nfs/dbraw/zinc/19/09/29/722190929.db2.gz FYNQTZHKFBOFMW-NRFANRHFSA-N 1 0 382.508 4.384 20 0 GIADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2ncnc4nc(Cl)ccc42)C3)c1 ZINC001164995582 722194710 /nfs/dbraw/zinc/19/47/10/722194710.db2.gz VSEDRSNNNBSHJS-OAQYLSRUSA-N 1 0 397.885 4.062 20 0 GIADRO Cc1nc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc2ccccc12 ZINC001164995759 722198455 /nfs/dbraw/zinc/19/84/55/722198455.db2.gz XTWGAMSCZTYONY-QHCPKHFHSA-N 1 0 376.479 4.322 20 0 GIADRO COc1ccc2c(c1)ncnc2N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164994996 722199893 /nfs/dbraw/zinc/19/98/93/722199893.db2.gz KEYBKJPLDDYHLV-QHCPKHFHSA-N 1 0 392.478 4.022 20 0 GIADRO CSc1cnc(Cl)nc1N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164993718 722200847 /nfs/dbraw/zinc/20/08/47/722200847.db2.gz ADMPJBYBFXJXNF-IBGZPJMESA-N 1 0 392.931 4.236 20 0 GIADRO COc1ccc(Cl)nc1N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164996700 722202167 /nfs/dbraw/zinc/20/21/67/722202167.db2.gz VUJZRCLNDUUKON-FQEVSTJZSA-N 1 0 375.875 4.128 20 0 GIADRO C[C@H]1C[C@@H](C(F)(F)F)CCN1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000458481999 823045980 /nfs/dbraw/zinc/04/59/80/823045980.db2.gz GSOZMAWVCHSNPL-GJZGRUSLSA-N 1 0 375.479 4.156 20 0 GIADRO CN1C(=O)CCc2cc(C[NH2+]C(C)(C)c3ccccc3Br)ccc21 ZINC000187341268 823046039 /nfs/dbraw/zinc/04/60/39/823046039.db2.gz PDZJOUMJHBHKRA-UHFFFAOYSA-N 1 0 387.321 4.383 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCC([C@@H]3CCCO3)CC2)C1 ZINC000187344684 823046618 /nfs/dbraw/zinc/04/66/18/823046618.db2.gz PRIJMPUQTGQKDW-XXBNENTESA-N 1 0 399.579 4.019 20 0 GIADRO C[C@@H](NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)[C@H](C)c1ccccc1 ZINC000458492992 823047137 /nfs/dbraw/zinc/04/71/37/823047137.db2.gz NEDWKTUAFZLWMR-JKSUJKDBSA-N 1 0 385.474 4.237 20 0 GIADRO C[C@H]1C[C@H](NC(=O)N2CC(C)(CC(F)(F)F)C2)CC[N@@H+]1Cc1ccccc1 ZINC000458490961 823046933 /nfs/dbraw/zinc/04/69/33/823046933.db2.gz JMJNOMOOIATNCU-DOTOQJQBSA-N 1 0 383.458 4.023 20 0 GIADRO CCS[C@H]1CCC[C@@H](NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000458499880 823048014 /nfs/dbraw/zinc/04/80/14/823048014.db2.gz IMJLUDSIOQCSLD-ZBFHGGJFSA-N 1 0 395.535 4.109 20 0 GIADRO COc1c(Br)cccc1C[NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000187353611 823048159 /nfs/dbraw/zinc/04/81/59/823048159.db2.gz SFYFSCISYNIZNS-SJLPKXTDSA-N 1 0 398.247 4.356 20 0 GIADRO O[C@H](C[NH2+][C@H]1CCO[C@H](c2ccc(F)cc2)C1)COc1ccc2ccccc2c1 ZINC000570509867 823048247 /nfs/dbraw/zinc/04/82/47/823048247.db2.gz IWPGXRIDLSGLQR-ZDXQCDESSA-N 1 0 395.474 4.229 20 0 GIADRO Cc1csc([C@H](NC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C2CC2)n1 ZINC000175825231 823048837 /nfs/dbraw/zinc/04/88/37/823048837.db2.gz WHBGFRFGWDNMLC-AZUAARDMSA-N 1 0 398.576 4.066 20 0 GIADRO COc1ccc(-c2cnc(C[N@@H+]3CCC[C@@H]3C[C@H](O)c3cccs3)o2)cc1 ZINC000175826725 823049248 /nfs/dbraw/zinc/04/92/48/823049248.db2.gz MTPMABFAAWKEFI-AEFFLSMTSA-N 1 0 384.501 4.500 20 0 GIADRO COc1ccc(-c2ccc(CNC(=O)NCCCC[N@H+](C)C3CC3)s2)cc1 ZINC000458512700 823049570 /nfs/dbraw/zinc/04/95/70/823049570.db2.gz ZLXGAJQFVVRKMT-UHFFFAOYSA-N 1 0 387.549 4.097 20 0 GIADRO COc1c(Br)cccc1C[NH2+][C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000187363473 823050110 /nfs/dbraw/zinc/05/01/10/823050110.db2.gz JUAAMERKAUHKJV-FUHWJXTLSA-N 1 0 376.294 4.468 20 0 GIADRO COc1cc([C@@H](C)[NH2+]C[C@H]2CCN(c3ccc(Br)cc3)C2)ccn1 ZINC000570534264 823050789 /nfs/dbraw/zinc/05/07/89/823050789.db2.gz NJPZOWOXLMLZOZ-HUUCEWRRSA-N 1 0 390.325 4.030 20 0 GIADRO CCn1ccnc1[C@H](C)NC(=O)NC[C@H](CC(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000458538596 823052660 /nfs/dbraw/zinc/05/26/60/823052660.db2.gz AJDZATYRWAPBNI-HBFSDRIKSA-N 1 0 385.556 4.029 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000458539567 823052830 /nfs/dbraw/zinc/05/28/30/823052830.db2.gz HKQWVPACUDHVNS-GOSISDBHSA-N 1 0 387.549 4.124 20 0 GIADRO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2cccc(Cl)c2SCC(F)F)C1 ZINC000570550262 823052990 /nfs/dbraw/zinc/05/29/90/823052990.db2.gz ACYDOQDTNBXMPP-NSHDSACASA-N 1 0 377.888 4.161 20 0 GIADRO CCCC[N@H+](CC)Cc1cccc(CNC(=O)N[C@@H](C)c2cncc(F)c2)c1 ZINC000458546327 823053602 /nfs/dbraw/zinc/05/36/02/823053602.db2.gz QMVHCKBZIJLJSS-KRWDZBQOSA-N 1 0 386.515 4.403 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(Sc2ccccc2)cc1)C1CCS(=O)(=O)CC1 ZINC000187384248 823053739 /nfs/dbraw/zinc/05/37/39/823053739.db2.gz SZIZXWNACSAFER-INIZCTEOSA-N 1 0 375.559 4.141 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)N1CC[C@@H]2OCCC[C@@H]2C1)C1CCCCC1 ZINC000120741713 823055390 /nfs/dbraw/zinc/05/53/90/823055390.db2.gz KPMQOESEZURVTC-KNQAVFIVSA-N 1 0 385.552 4.484 20 0 GIADRO O=C(C[C@@H]1CCC[N@H+](C[C@H]2CCC3(CCCC3)O2)C1)NCc1ccc(F)cc1 ZINC000570567110 823055639 /nfs/dbraw/zinc/05/56/39/823055639.db2.gz RCPFYWRQNVOSIK-PZJWPPBQSA-N 1 0 388.527 4.036 20 0 GIADRO CC[NH+](CC)CCOc1ccc(NC(=O)Cc2nc(C(C)C)c(C)s2)cc1 ZINC000570590880 823058589 /nfs/dbraw/zinc/05/85/89/823058589.db2.gz SDRJRGGWGMGAAR-UHFFFAOYSA-N 1 0 389.565 4.477 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)C2(c3cc(F)cc(C(F)(F)F)c3)CC2)CC1 ZINC000187400359 823055962 /nfs/dbraw/zinc/05/59/62/823055962.db2.gz AOELUHQTBHZJPP-UHFFFAOYSA-N 1 0 386.433 4.114 20 0 GIADRO CSc1ccc([C@H](CNC(=O)NCc2nc(C(C)C)cs2)[NH+](C)C)cc1 ZINC000458560301 823056007 /nfs/dbraw/zinc/05/60/07/823056007.db2.gz PKGOYVMLFLGKBW-KRWDZBQOSA-N 1 0 392.594 4.091 20 0 GIADRO O=C(Nc1cc(F)ccc1OCC(F)(F)F)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000175857975 823056525 /nfs/dbraw/zinc/05/65/25/823056525.db2.gz UOTSHJGDACCQLU-CYBMUJFWSA-N 1 0 388.405 4.360 20 0 GIADRO C/C(=C/c1ccc(F)cc1)C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000120749363 823056715 /nfs/dbraw/zinc/05/67/15/823056715.db2.gz QYMDCIBCKNCLET-LGMDPLHJSA-N 1 0 382.479 4.072 20 0 GIADRO Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@@H]1CC(=O)N(Cc3ccccc3)C1)CCS2 ZINC000187404658 823056854 /nfs/dbraw/zinc/05/68/54/823056854.db2.gz RSUPEPJGIOEVOL-FPOVZHCZSA-N 1 0 380.557 4.479 20 0 GIADRO Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@H]1CC(=O)N(Cc3ccccc3)C1)CCS2 ZINC000187404694 823056880 /nfs/dbraw/zinc/05/68/80/823056880.db2.gz RSUPEPJGIOEVOL-CTNGQTDRSA-N 1 0 380.557 4.479 20 0 GIADRO CCO[C@@H]1CCN(C(=O)NC[C@H](CC(C)C)[NH2+][C@@H](C)c2ccccc2)C[C@@H]1C ZINC000458569143 823057424 /nfs/dbraw/zinc/05/74/24/823057424.db2.gz VKWRTTCPNWNNRE-BLKABHOGSA-N 1 0 389.584 4.208 20 0 GIADRO COc1ccccc1OC[C@H](C)C[NH2+][C@@H](C)c1ncc(Br)cc1F ZINC000187409298 823057625 /nfs/dbraw/zinc/05/76/25/823057625.db2.gz QXSQVMBNGABUHW-OLZOCXBDSA-N 1 0 397.288 4.358 20 0 GIADRO CC[NH+]1CCC(CNC(=O)N(Cc2cccc(Br)c2)C(C)C)CC1 ZINC000570585068 823057686 /nfs/dbraw/zinc/05/76/86/823057686.db2.gz IDDYIUQPDMPSME-UHFFFAOYSA-N 1 0 396.373 4.101 20 0 GIADRO COCc1cc([C@H](C)[NH2+]C[C@@H](c2c(F)cccc2F)N(C)C)ccc1OC ZINC000120756208 823058073 /nfs/dbraw/zinc/05/80/73/823058073.db2.gz WXZXXFAOQNIXOT-LIRRHRJNSA-N 1 0 378.463 4.073 20 0 GIADRO Cc1nn(-c2ccccc2)cc1NC(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000570588776 823058200 /nfs/dbraw/zinc/05/82/00/823058200.db2.gz KDODVAGIJWMZIQ-HZPDHXFCSA-N 1 0 394.441 4.028 20 0 GIADRO CC(C)[N@@H+]1CC[C@@H](CNCc2csc(-c3cccc(Br)c3)n2)C1 ZINC000570587838 823058305 /nfs/dbraw/zinc/05/83/05/823058305.db2.gz RMYHRUQBQPLRJG-AWEZNQCLSA-N 1 0 394.382 4.393 20 0 GIADRO Cc1nn(C)c2ncc(C[N@@H+]3CCCCC[C@@H]3C[C@H](O)c3cccs3)cc12 ZINC000175863803 823058387 /nfs/dbraw/zinc/05/83/87/823058387.db2.gz SZBLKGPJICHCDF-MJGOQNOKSA-N 1 0 384.549 4.207 20 0 GIADRO COc1ccc([C@@H](NC(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)c2ccco2)cc1 ZINC000458588219 823060074 /nfs/dbraw/zinc/06/00/74/823060074.db2.gz WEINMPCKCIBWAZ-XMSQKQJNSA-N 1 0 399.535 4.045 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(Oc2ccccc2)o1 ZINC000175873311 823060821 /nfs/dbraw/zinc/06/08/21/823060821.db2.gz BJKNMHGVXJCCDB-UHFFFAOYSA-N 1 0 376.456 4.466 20 0 GIADRO CSc1cccc(N(C(=O)[C@H]2OCCc3ccccc32)C2CC[NH+](C)CC2)c1 ZINC000120771339 823060896 /nfs/dbraw/zinc/06/08/96/823060896.db2.gz DEMJNCGBPHTNPI-QFIPXVFZSA-N 1 0 396.556 4.150 20 0 GIADRO O=C(N[C@@H]1CC[C@H](c2cccc(Cl)c2)C1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000570605665 823061305 /nfs/dbraw/zinc/06/13/05/823061305.db2.gz AKYOEPZBAAQIHD-TUNNFDKTSA-N 1 0 397.950 4.400 20 0 GIADRO COc1ccc(C(=O)N2CCC([NH2+]CC3CCC(C)(C)CC3)CC2)cc1OC ZINC000120775336 823061376 /nfs/dbraw/zinc/06/13/76/823061376.db2.gz GNWWVJRVJIFRTB-UHFFFAOYSA-N 1 0 388.552 4.114 20 0 GIADRO Cc1cc(N2CCCC2)ccc1NC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000175876981 823061912 /nfs/dbraw/zinc/06/19/12/823061912.db2.gz WLEGLMLPUBBMNJ-UHFFFAOYSA-N 1 0 386.565 4.252 20 0 GIADRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000570613510 823062479 /nfs/dbraw/zinc/06/24/79/823062479.db2.gz WZZZILCEKKMDMS-RHSMWYFYSA-N 1 0 382.346 4.024 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)CC[C@H]1CCOC1)c1ccc(C(F)(F)F)cc1 ZINC000175879720 823062640 /nfs/dbraw/zinc/06/26/40/823062640.db2.gz UMJACISMIMAXDG-MAUKXSAKSA-N 1 0 386.458 4.021 20 0 GIADRO C[C@@H](NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)c1cccc(F)c1F ZINC000458607669 823062767 /nfs/dbraw/zinc/06/27/67/823062767.db2.gz KUPFPRSVXQGOEY-GFCCVEGCSA-N 1 0 393.400 4.084 20 0 GIADRO CN(C)C[C@@H](NC(=O)CCC(=O)c1ccc(F)c(F)c1)c1ccc(Cl)cc1 ZINC000570616057 823062946 /nfs/dbraw/zinc/06/29/46/823062946.db2.gz LLLBUGZXJGWDNV-GOSISDBHSA-N 1 0 394.849 4.000 20 0 GIADRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cc1 ZINC000055902115 823063960 /nfs/dbraw/zinc/06/39/60/823063960.db2.gz MPFQTPWCZDMRMX-INIZCTEOSA-N 1 0 379.460 4.045 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)NCc2cc3ccccc3o2)CC1 ZINC000175890657 823064415 /nfs/dbraw/zinc/06/44/15/823064415.db2.gz UWUDNUUHWRWZHL-UHFFFAOYSA-N 1 0 377.488 4.239 20 0 GIADRO C[C@H]([NH2+]C1(CNC(=O)C2(Cc3ccccc3)CC2)CCOCC1)c1ccccc1 ZINC000175894131 823065408 /nfs/dbraw/zinc/06/54/08/823065408.db2.gz XMFKLPZJEHWYJJ-FQEVSTJZSA-N 1 0 392.543 4.026 20 0 GIADRO O=C(C[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1)Nc1ccccc1OC(F)F ZINC000055908667 823065645 /nfs/dbraw/zinc/06/56/45/823065645.db2.gz KZTQXDIEFNNZBG-MRXNPFEDSA-N 1 0 378.394 4.073 20 0 GIADRO COc1ccc([C@@H]2CCCN2C(=O)C[N@@H+]2CCC[C@@H]2C2CCCC2)cc1OC ZINC000055927473 823067881 /nfs/dbraw/zinc/06/78/81/823067881.db2.gz QMRYXHLNFRTWHC-UXHICEINSA-N 1 0 386.536 4.022 20 0 GIADRO COc1cc(C[NH2+]CC2(OC)CCCCC2)ccc1OCc1c(C)noc1C ZINC000187451878 823066070 /nfs/dbraw/zinc/06/60/70/823066070.db2.gz YIMZBQJIRBQFJJ-UHFFFAOYSA-N 1 0 388.508 4.318 20 0 GIADRO Cc1cc(Sc2ncccn2)ccc1NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000175895685 823066248 /nfs/dbraw/zinc/06/62/48/823066248.db2.gz QZDUVZUCGGEGDQ-QGZVFWFLSA-N 1 0 399.564 4.274 20 0 GIADRO O[C@@H](C[C@H]1CCC[N@@H+]1Cc1cnn(Cc2ccc(F)cc2)c1)c1cccs1 ZINC000187454646 823066728 /nfs/dbraw/zinc/06/67/28/823066728.db2.gz ZVOAUDSSAQFSNR-UXHICEINSA-N 1 0 385.508 4.220 20 0 GIADRO C[C@H](NC(=O)N1CC(c2cccc(Cl)c2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000458630172 823066673 /nfs/dbraw/zinc/06/66/73/823066673.db2.gz KHVGWTIYDIMSNL-RDJZCZTQSA-N 1 0 375.944 4.102 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2C2CCCC2)c(C(F)(F)F)c1 ZINC000055927478 823068095 /nfs/dbraw/zinc/06/80/95/823068095.db2.gz XKSVTHDHZAFQQO-SFHVURJKSA-N 1 0 397.441 4.257 20 0 GIADRO O=C(CCC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)c1csc2ccccc12 ZINC000120802479 823067020 /nfs/dbraw/zinc/06/70/20/823067020.db2.gz IDIKKNNCBUANCI-KRWDZBQOSA-N 1 0 384.545 4.199 20 0 GIADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)N[C@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000187456721 823067106 /nfs/dbraw/zinc/06/71/06/823067106.db2.gz GPUGQEVPMBEFAK-SFTDATJTSA-N 1 0 395.547 4.297 20 0 GIADRO C[C@H](NC(=O)N1CCC[C@H]1c1ccc(F)cc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000458632436 823067354 /nfs/dbraw/zinc/06/73/54/823067354.db2.gz NLHAAAKGNMBMBD-MRUHUIDDSA-N 1 0 391.506 4.464 20 0 GIADRO COc1ccc(NC(=O)[C@H]([NH2+][C@H]2CCOC[C@@H]2C)c2ccccc2)cc1Cl ZINC000570658524 823068342 /nfs/dbraw/zinc/06/83/42/823068342.db2.gz PERLSFXVEXUUFF-ADLFWFRXSA-N 1 0 388.895 4.043 20 0 GIADRO Cc1noc(C)c1CSc1ccccc1C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000055932413 823068476 /nfs/dbraw/zinc/06/84/76/823068476.db2.gz CPATWOBCQCCLEO-OAHLLOKOSA-N 1 0 387.549 4.188 20 0 GIADRO CC(C)(CNC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)C(F)(F)F ZINC000570663499 823068919 /nfs/dbraw/zinc/06/89/19/823068919.db2.gz BWPKFXPGYCYYKE-OAHLLOKOSA-N 1 0 391.865 4.365 20 0 GIADRO CNC(=O)c1ccc(C[NH2+][C@H](C)c2ccc(OCCC(C)C)c(OC)c2)cc1 ZINC000120815371 823069682 /nfs/dbraw/zinc/06/96/82/823069682.db2.gz PIWKLXLUMLWPHT-QGZVFWFLSA-N 1 0 384.520 4.331 20 0 GIADRO C[C@H](CCCc1cccnc1)NC(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000458661347 823071195 /nfs/dbraw/zinc/07/11/95/823071195.db2.gz DYAMASVTOYCKRD-TXTKFYIRSA-N 1 0 394.563 4.003 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@H](c2ccc(F)cc2F)C(C)C)ccc1S(C)(=O)=O ZINC000120826658 823072277 /nfs/dbraw/zinc/07/22/77/823072277.db2.gz SZVHQPOAIFPXEV-XCLFUZPHSA-N 1 0 397.487 4.425 20 0 GIADRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccsc1)c1ccc2ncsc2c1 ZINC000458677666 823073132 /nfs/dbraw/zinc/07/31/32/823073132.db2.gz PPXHLIWYUAINOP-AWEZNQCLSA-N 1 0 388.562 4.192 20 0 GIADRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccsc1)c1cc2cccc(F)c2o1 ZINC000458686972 823074105 /nfs/dbraw/zinc/07/41/05/823074105.db2.gz IMEJONCUKGWOEE-AWEZNQCLSA-N 1 0 389.496 4.468 20 0 GIADRO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)N1C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000458694133 823075204 /nfs/dbraw/zinc/07/52/04/823075204.db2.gz RPXFDXKHQDXTRU-HDMKZQKVSA-N 1 0 385.474 4.052 20 0 GIADRO CC1CC[NH+](Cc2cccc(CNC(=O)c3occc3Br)c2)CC1 ZINC000175938914 823077139 /nfs/dbraw/zinc/07/71/39/823077139.db2.gz OGIMEFJUXFQKBD-UHFFFAOYSA-N 1 0 391.309 4.204 20 0 GIADRO Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)c3ccc(C[NH+](C)C)cc3)cc2)n1 ZINC000175938714 823077156 /nfs/dbraw/zinc/07/71/56/823077156.db2.gz JYRAWNAYWNUXJS-GOSISDBHSA-N 1 0 376.504 4.042 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc(OC2CCCC2)cc1 ZINC000120849861 823076238 /nfs/dbraw/zinc/07/62/38/823076238.db2.gz RXGKHCDGGRKYMX-UHFFFAOYSA-N 1 0 393.531 4.321 20 0 GIADRO C[C@@H](CC1CCCCC1)NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458705826 823076451 /nfs/dbraw/zinc/07/64/51/823076451.db2.gz KOHMNDWONBTOKT-HNNXBMFYSA-N 1 0 377.495 4.404 20 0 GIADRO Cc1cccnc1[C@H]([NH2+][C@H](C)C(=O)Nc1nc2ccc(F)cc2s1)C(C)C ZINC000120881857 823081428 /nfs/dbraw/zinc/08/14/28/823081428.db2.gz WKYATRVELXHDFR-CXAGYDPISA-N 1 0 386.496 4.453 20 0 GIADRO COc1cccc(Cc2noc([C@@]34CCC[C@@H]3C[N@H+](Cc3ccccc3)C4)n2)c1 ZINC000570757546 823081901 /nfs/dbraw/zinc/08/19/01/823081901.db2.gz IFLMXMDGCDHENE-HYBUGGRVSA-N 1 0 389.499 4.223 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)c1cccc(Cn2ccnc2)c1 ZINC000056042520 823081458 /nfs/dbraw/zinc/08/14/58/823081458.db2.gz WIYKHDZWPMGZPO-UHFFFAOYSA-N 1 0 388.515 4.212 20 0 GIADRO CCC[C@H](NC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C1CCC1 ZINC000458721992 823078321 /nfs/dbraw/zinc/07/83/21/823078321.db2.gz APSLWXBWTGSZHK-JCYILVPMSA-N 1 0 375.479 4.060 20 0 GIADRO COc1ccc([C@H](C)N[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1NC(C)=O ZINC000120861238 823078759 /nfs/dbraw/zinc/07/87/59/823078759.db2.gz QAAQARNOGBEMCX-JTSKRJEESA-N 1 0 381.520 4.141 20 0 GIADRO 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 823079146 /nfs/dbraw/zinc/07/91/46/823079146.db2.gz JEBPRFLOHOTFLR-YVWKXTFCSA-N 1 0 395.469 4.079 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CN[C@H](c1nc[nH]n1)c1ccccc1 ZINC000570756143 823081676 /nfs/dbraw/zinc/08/16/76/823081676.db2.gz UKPOQCKEADBZBJ-AVRDEDQJSA-N 1 0 375.520 4.058 20 0 GIADRO Cc1ccc(Br)cc1NC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000175947286 823079470 /nfs/dbraw/zinc/07/94/70/823079470.db2.gz YELXSLADYPGFCQ-UHFFFAOYSA-N 1 0 396.354 4.415 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)C[NH2+][C@@H]2CCC(C)(C)C[C@@H]2C)c(C(F)(F)F)c1 ZINC000120876620 823080888 /nfs/dbraw/zinc/08/08/88/823080888.db2.gz BFQOGVITCJMREL-BLLLJJGKSA-N 1 0 399.457 4.407 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)c1cc2ccccc2oc1=O ZINC000056042025 823081117 /nfs/dbraw/zinc/08/11/17/823081117.db2.gz WAPMDLNXBQMYIL-UHFFFAOYSA-N 1 0 376.456 4.074 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)N(Cc2ccco2)Cc2ccc(C)s2)CC1 ZINC000175953471 823081120 /nfs/dbraw/zinc/08/11/20/823081120.db2.gz AMFMJLJHVUYFCD-UHFFFAOYSA-N 1 0 389.565 4.483 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)c1cccc(NC(=O)C2CC2)c1 ZINC000056042009 823081222 /nfs/dbraw/zinc/08/12/22/823081222.db2.gz HAHJHYGIXFVUGG-UHFFFAOYSA-N 1 0 391.515 4.316 20 0 GIADRO C[C@@H](C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccc(Cl)s1 ZINC000120887842 823082338 /nfs/dbraw/zinc/08/23/38/823082338.db2.gz SHCBTSOCUZHACK-CQSZACIVSA-N 1 0 392.952 4.348 20 0 GIADRO Cc1cc(C[NH2+][C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)cc(C)c1O ZINC000570760469 823082596 /nfs/dbraw/zinc/08/25/96/823082596.db2.gz INJHNTSULPTTGO-QFIPXVFZSA-N 1 0 395.524 4.292 20 0 GIADRO CC[C@H](C)[NH2+][C@H](CNC(=O)N1CC[C@H](C(F)(F)F)C[C@H]1C)c1ccco1 ZINC000458765325 823082657 /nfs/dbraw/zinc/08/26/57/823082657.db2.gz KMJWEGWMOCXFQC-LJISPDSOSA-N 1 0 375.435 4.081 20 0 GIADRO Cc1cc(C[NH2+][C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)cc(C)c1O ZINC000570760462 823082663 /nfs/dbraw/zinc/08/26/63/823082663.db2.gz INJHNTSULPTTGO-JOCHJYFZSA-N 1 0 395.524 4.292 20 0 GIADRO Cc1cccnc1[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(N2CCCC2)cc1)C(C)C ZINC000120907892 823084991 /nfs/dbraw/zinc/08/49/91/823084991.db2.gz PJROFXHNFVXBBX-NQIIRXRSSA-N 1 0 380.536 4.304 20 0 GIADRO Cc1cccnc1[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(N2CCCC2)cc1)C(C)C ZINC000120907455 823085128 /nfs/dbraw/zinc/08/51/28/823085128.db2.gz PJROFXHNFVXBBX-GHTZIAJQSA-N 1 0 380.536 4.304 20 0 GIADRO Cc1ccc([C@@H]([NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)C2CCC2)cc1 ZINC000187552153 823086988 /nfs/dbraw/zinc/08/69/88/823086988.db2.gz KLDWIRCFXSEMJF-QFIPXVFZSA-N 1 0 384.545 4.166 20 0 GIADRO CN(C(=O)NC[C@@H](c1ccccc1)C1CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000458785207 823085304 /nfs/dbraw/zinc/08/53/04/823085304.db2.gz AWQJKCYPOJRLAP-DEOSSOPVSA-N 1 0 391.559 4.486 20 0 GIADRO CC(C)(NC(=O)NC1CC[NH+](C2CCC2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000570778236 823086318 /nfs/dbraw/zinc/08/63/18/823086318.db2.gz GIYMRWYYZWHZBN-UHFFFAOYSA-N 1 0 399.457 4.136 20 0 GIADRO CCOc1ccc2c(c1)[C@@H]([NH2+]Cc1cc(Br)ccc1O)CCO2 ZINC000187546587 823086355 /nfs/dbraw/zinc/08/63/55/823086355.db2.gz BNXCCFMJKPYLPL-INIZCTEOSA-N 1 0 378.266 4.167 20 0 GIADRO Cc1c(Br)cccc1NC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000175978289 823087215 /nfs/dbraw/zinc/08/72/15/823087215.db2.gz FAICHNHUCHQSFV-UHFFFAOYSA-N 1 0 396.354 4.415 20 0 GIADRO O=C(Nc1ccc2c(c1)CCC2)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000570825137 823092168 /nfs/dbraw/zinc/09/21/68/823092168.db2.gz HOJPZFLRVDXDMV-YADHBBJMSA-N 1 0 375.516 4.161 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc(OCc2cccnc2)cc1)C(=O)Nc1cccc(F)c1 ZINC000056144355 823087726 /nfs/dbraw/zinc/08/77/26/823087726.db2.gz JCCHJYFPBDJTCN-IAGOWNOFSA-N 1 0 393.462 4.478 20 0 GIADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)Nc1ccc(NCCc2ccccc2)cc1 ZINC000175980915 823087927 /nfs/dbraw/zinc/08/79/27/823087927.db2.gz NWLFEJGQOFSBIU-HSZRJFAPSA-N 1 0 395.547 4.073 20 0 GIADRO CCOC(=O)c1sc2[nH]c([C@@H](C)[NH2+][C@H](C)c3ccccc3C)nc(=O)c2c1C ZINC000120954951 823092262 /nfs/dbraw/zinc/09/22/62/823092262.db2.gz SONCUJLORPRJOQ-ZIAGYGMSSA-N 1 0 399.516 4.190 20 0 GIADRO CCc1nc2cc(NC(=O)NC3CC[NH+]([C@H](C)c4ccncc4)CC3)ccc2o1 ZINC000120934902 823089384 /nfs/dbraw/zinc/08/93/84/823089384.db2.gz MRBFDJWTVRYAOZ-OAHLLOKOSA-N 1 0 393.491 4.132 20 0 GIADRO CCOC[C@@H]1CCN(C(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC000175989543 823089848 /nfs/dbraw/zinc/08/98/48/823089848.db2.gz PTBBAEGHBTYEBE-LJQANCHMSA-N 1 0 387.568 4.019 20 0 GIADRO CC(C)[NH2+]C1CCN(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCC2)CC1 ZINC000175988695 823089866 /nfs/dbraw/zinc/08/98/66/823089866.db2.gz AUMIBYOVVSEJDG-UHFFFAOYSA-N 1 0 397.485 4.299 20 0 GIADRO CCC(CC)NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000056153080 823090062 /nfs/dbraw/zinc/09/00/62/823090062.db2.gz ORBYQFOGWILIMG-SJORKVTESA-N 1 0 381.520 4.283 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(CN[C@H](C(=O)NC3CC3)c3ccccc3)cc2)C1 ZINC000056154017 823090547 /nfs/dbraw/zinc/09/05/47/823090547.db2.gz NLDZBBMBYMVDOH-DVECYGJZSA-N 1 0 391.559 4.028 20 0 GIADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cccc(OCc2ccc(Cl)cc2)c1 ZINC000120945660 823090911 /nfs/dbraw/zinc/09/09/11/823090911.db2.gz PXJZVSFLEZBIHU-IERDGZPVSA-N 1 0 386.923 4.331 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)NC(=O)Nc2cccc(C[NH+](C)C)c2)cc1 ZINC000175995050 823091116 /nfs/dbraw/zinc/09/11/16/823091116.db2.gz XUSUHCBSHXAISX-INIZCTEOSA-N 1 0 377.492 4.125 20 0 GIADRO CN(C(=O)NCC1(c2cccc(F)c2)CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000120951654 823091923 /nfs/dbraw/zinc/09/19/23/823091923.db2.gz JCKHTRPYSSIIAG-UHFFFAOYSA-N 1 0 395.522 4.163 20 0 GIADRO CC(C)Sc1ccc([C@H](C)NC(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)cc1 ZINC000176005510 823093691 /nfs/dbraw/zinc/09/36/91/823093691.db2.gz ZROZQLSSSPKPFC-OXJNMPFZSA-N 1 0 378.582 4.158 20 0 GIADRO C[C@H]1[C@H](NC(=O)N(CCC(F)(F)F)CC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000570841392 823094274 /nfs/dbraw/zinc/09/42/74/823094274.db2.gz AFIMTYSTGDPYKM-MAUKXSAKSA-N 1 0 383.458 4.023 20 0 GIADRO CCc1nc(C)c([C@@H](C)N(C)C(=O)NC2CC[NH+](C3CCCC3)CC2)s1 ZINC000176020956 823097806 /nfs/dbraw/zinc/09/78/06/823097806.db2.gz NBEUKWHQCSSYCR-OAHLLOKOSA-N 1 0 378.586 4.123 20 0 GIADRO CC[NH+]1CCN(c2ccc(N[C@@H](C)C(=O)Nc3ccc(C)c(C)c3)c(C)c2)CC1 ZINC000056170360 823095001 /nfs/dbraw/zinc/09/50/01/823095001.db2.gz HHWCPQBDLUBXKV-FQEVSTJZSA-N 1 0 394.563 4.193 20 0 GIADRO CC(C)c1noc([C@@H](C)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)n1 ZINC000056170849 823095051 /nfs/dbraw/zinc/09/50/51/823095051.db2.gz LLVBNXZLVRGEAL-MRXNPFEDSA-N 1 0 385.512 4.181 20 0 GIADRO C[C@@H](Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1)c1nc(C(C)(C)C)no1 ZINC000056170846 823095083 /nfs/dbraw/zinc/09/50/83/823095083.db2.gz ZPOJSSCCEXZVGH-MRXNPFEDSA-N 1 0 399.539 4.355 20 0 GIADRO CCCCc1noc([C@@H](C)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)n1 ZINC000056170847 823095269 /nfs/dbraw/zinc/09/52/69/823095269.db2.gz GRZUTJVCNPJXLY-QGZVFWFLSA-N 1 0 399.539 4.400 20 0 GIADRO O=C(NCC[C@H](c1ccccc1)C(F)(F)F)N1CCC(C[NH+]2CCCC2)CC1 ZINC000458835934 823095306 /nfs/dbraw/zinc/09/53/06/823095306.db2.gz FFNKSCDJEWPENW-LJQANCHMSA-N 1 0 397.485 4.240 20 0 GIADRO O=C(c1ccc(C[NH+]2CCC(CO)CC2)cc1)N(CC1CCC1)c1ccccc1 ZINC000120973176 823095579 /nfs/dbraw/zinc/09/55/79/823095579.db2.gz NIZYAHTYBQPPKN-UHFFFAOYSA-N 1 0 392.543 4.338 20 0 GIADRO CC(C)CN(C(=O)NCCCCC[NH+]1CCCC1)[C@H]1CCCc2cccnc21 ZINC000458838717 823095834 /nfs/dbraw/zinc/09/58/34/823095834.db2.gz CVXWNAUDDLITDK-NRFANRHFSA-N 1 0 386.584 4.393 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)NCCc2ccccc2Cl)CC1 ZINC000176016101 823096397 /nfs/dbraw/zinc/09/63/97/823096397.db2.gz FPCODIGODZRSLZ-UHFFFAOYSA-N 1 0 385.939 4.189 20 0 GIADRO Cc1cccnc1[C@@H]([NH2+][C@H](C)C(=O)N(C)Cc1nc2ccccc2s1)C(C)C ZINC000120979376 823096451 /nfs/dbraw/zinc/09/64/51/823096451.db2.gz DUFDAUSCEDSCFI-UZLBHIALSA-N 1 0 396.560 4.334 20 0 GIADRO O=C(NCC[C@@H](c1ccccc1)C(F)(F)F)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000458847870 823097300 /nfs/dbraw/zinc/09/73/00/823097300.db2.gz REPLFERYQHVWBS-MOPGFXCFSA-N 1 0 397.485 4.383 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)NCc2cccc3cccnc32)CC1 ZINC000176027267 823099393 /nfs/dbraw/zinc/09/93/93/823099393.db2.gz XWTVZXLADAXSMF-UHFFFAOYSA-N 1 0 388.515 4.041 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000120998629 823099817 /nfs/dbraw/zinc/09/98/17/823099817.db2.gz JUKJUUMCNWGUNV-KRWDZBQOSA-N 1 0 396.922 4.486 20 0 GIADRO CCN(C(=O)NC1CC[NH+](C2CCCC2)CC1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000176030667 823100013 /nfs/dbraw/zinc/10/00/13/823100013.db2.gz PLYLGGSXRSAGND-SFHVURJKSA-N 1 0 387.568 4.065 20 0 GIADRO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000570876516 823100612 /nfs/dbraw/zinc/10/06/12/823100612.db2.gz JLVVRMDJZUYIGH-BHYGNILZSA-N 1 0 384.442 4.022 20 0 GIADRO CCOc1cccc2[nH]cc(CC(=O)N3CCC[C@H](C[NH+]4CCC(C)CC4)C3)c21 ZINC000187626403 823100573 /nfs/dbraw/zinc/10/05/73/823100573.db2.gz HZNUDCPZGJKRPT-LJQANCHMSA-N 1 0 397.563 4.080 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)NC1CCC(C)CC1)c1cccc(OCc2ccccn2)c1 ZINC000056201208 823102076 /nfs/dbraw/zinc/10/20/76/823102076.db2.gz TUTQANBUOIERTI-LSNYBQGISA-N 1 0 395.547 4.395 20 0 GIADRO CCCCCCOc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1OC ZINC000121018321 823103640 /nfs/dbraw/zinc/10/36/40/823103640.db2.gz GWTOVNLNXOSZRM-HKUYNNGSSA-N 1 0 376.541 4.067 20 0 GIADRO Cc1sc(CC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc1C(C)C ZINC000570896245 823104386 /nfs/dbraw/zinc/10/43/86/823104386.db2.gz KHKIIDHJDNUBLJ-IBGZPJMESA-N 1 0 385.577 4.098 20 0 GIADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)NCC[C@@H]2CCc3ccccc32)CC1 ZINC000458936081 823108848 /nfs/dbraw/zinc/10/88/48/823108848.db2.gz YMGIJALECGRICD-IBGZPJMESA-N 1 0 381.520 4.006 20 0 GIADRO COc1ccc(NC(=O)N2CCC[C@@H]([NH+](C)C)CC2)c(OCc2ccccc2)c1 ZINC000570903066 823105685 /nfs/dbraw/zinc/10/56/85/823105685.db2.gz FMECJEOBGOPGMN-LJQANCHMSA-N 1 0 397.519 4.222 20 0 GIADRO CC(C)(C)c1n[nH]cc1C[NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000121029406 823105717 /nfs/dbraw/zinc/10/57/17/823105717.db2.gz CYIKZFVWWZSIGS-UHFFFAOYSA-N 1 0 394.485 4.480 20 0 GIADRO O=C1COc2cc(NCc3ccc(C[NH+]4CCCCC4)cc3)c(Cl)cc2N1 ZINC000570910479 823106501 /nfs/dbraw/zinc/10/65/01/823106501.db2.gz DMBFLLWYWGYZJS-UHFFFAOYSA-N 1 0 385.895 4.269 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1ccc(C(=O)c2cc[nH]c2)cc1 ZINC000176053136 823107581 /nfs/dbraw/zinc/10/75/81/823107581.db2.gz CSAIYBGBHQYJSL-UHFFFAOYSA-N 1 0 387.483 4.484 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)C1 ZINC000187670090 823110051 /nfs/dbraw/zinc/11/00/51/823110051.db2.gz DNZPOMXWIUFXTM-AWEZNQCLSA-N 1 0 396.409 4.259 20 0 GIADRO CCc1c(C(=O)NCc2ccccc2C[NH+]2CCCCC2)cnn1C(C)(C)C ZINC000056242906 823110342 /nfs/dbraw/zinc/11/03/42/823110342.db2.gz DMASFYDYRWUNJA-UHFFFAOYSA-N 1 0 382.552 4.116 20 0 GIADRO COc1ccc(C[N@H+](Cc2cnc(N(C)C)s2)[C@@H](C)C2CC2)c(OC)c1 ZINC000570944399 823110461 /nfs/dbraw/zinc/11/04/61/823110461.db2.gz AOIBKZPHIAVPPZ-AWEZNQCLSA-N 1 0 375.538 4.027 20 0 GIADRO Cc1nc(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)oc1-c1ccc(Cl)cc1 ZINC000121058388 823110521 /nfs/dbraw/zinc/11/05/21/823110521.db2.gz ANVZDSCFXTZKDS-INIZCTEOSA-N 1 0 397.910 4.221 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]C2(Cc3ccccc3)CCC2)c1 ZINC000570947079 823110702 /nfs/dbraw/zinc/11/07/02/823110702.db2.gz ZZTXVAKOSUOZPD-KRWDZBQOSA-N 1 0 382.504 4.176 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1ccc2c(C)cc(=O)[nH]c2c1)c1ccccc1 ZINC000570947349 823110730 /nfs/dbraw/zinc/11/07/30/823110730.db2.gz CJVZOLUJNCUBGZ-OAQYLSRUSA-N 1 0 377.488 4.062 20 0 GIADRO CCCOc1c(Cl)cc(/C=C\c2nc(C3([NH3+])CCCC3)no2)cc1OC ZINC000570964398 823112678 /nfs/dbraw/zinc/11/26/78/823112678.db2.gz MUULXRQJRKRUIG-SREVYHEPSA-N 1 0 377.872 4.419 20 0 GIADRO C[C@H]1CC[C@H](C)N(C(=O)Nc2cccc(NC(=O)CC[NH+]3CCCCC3)c2)C1 ZINC000121072525 823113153 /nfs/dbraw/zinc/11/31/53/823113153.db2.gz NRMXSVLPKCVMBE-ROUUACIJSA-N 1 0 386.540 4.153 20 0 GIADRO COc1cccc([C@H](CN[C@H](c2ncc[nH]2)c2ccc(F)cc2)[NH+]2CCCC2)c1 ZINC000187690863 823113734 /nfs/dbraw/zinc/11/37/34/823113734.db2.gz CTCQOKDFTIHPJE-VXKWHMMOSA-N 1 0 394.494 4.074 20 0 GIADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N[C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC000121082150 823115248 /nfs/dbraw/zinc/11/52/48/823115248.db2.gz DMFZMFHDYJSHRY-AUUYWEPGSA-N 1 0 389.952 4.274 20 0 GIADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)N[C@H](c3ccc(F)c(Cl)c3)C3CC3)CC[C@H]21 ZINC000459006796 823115912 /nfs/dbraw/zinc/11/59/12/823115912.db2.gz KWTNHFNPAYMZHY-LZQZEXGQSA-N 1 0 379.907 4.056 20 0 GIADRO Cc1nc(CNC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)sc1C ZINC000176086331 823116041 /nfs/dbraw/zinc/11/60/41/823116041.db2.gz NUCYYZYPILMDPK-UHFFFAOYSA-N 1 0 386.565 4.135 20 0 GIADRO COc1cccc(C[C@@H]([NH2+]Cc2ccc(-n3nc(C)cc3C)nc2)C2CC2)c1 ZINC000121091872 823116947 /nfs/dbraw/zinc/11/69/47/823116947.db2.gz ABPVNNWXFHZURX-JOCHJYFZSA-N 1 0 376.504 4.004 20 0 GIADRO CC[NH+](CC)CC(=O)Nc1cccc(N[C@H]2CCCOc3cc(F)ccc32)c1 ZINC000570994478 823117006 /nfs/dbraw/zinc/11/70/06/823117006.db2.gz NXIQUMCDNHPIQH-FQEVSTJZSA-N 1 0 385.483 4.432 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NC[C@@H]2CCOC3(CCC3)C2)CC1 ZINC000459014541 823117049 /nfs/dbraw/zinc/11/70/49/823117049.db2.gz KWXBTMHSKCYLSI-TZIWHRDSSA-N 1 0 391.600 4.022 20 0 GIADRO CC(C)[C@H](CO)[N@H+](Cc1nnc(-c2cccc(Cl)c2)o1)Cc1ccccc1 ZINC000121096888 823117906 /nfs/dbraw/zinc/11/79/06/823117906.db2.gz GQZBWNXEPSTVAP-IBGZPJMESA-N 1 0 385.895 4.409 20 0 GIADRO CC[N@H+](CCc1nccs1)[C@@H](C)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000121099408 823118153 /nfs/dbraw/zinc/11/81/53/823118153.db2.gz UJBLDJJGDYYECM-SFHVURJKSA-N 1 0 393.556 4.302 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+](CC(=O)Nc1ccc(C(=O)N(C)C)cc1)CC1CCC1 ZINC000121108605 823119879 /nfs/dbraw/zinc/11/98/79/823119879.db2.gz UVLPRNRHGRHQRK-GOSISDBHSA-N 1 0 393.531 4.190 20 0 GIADRO Cc1cc(C)n(Cc2cccc(-c3noc([C@@]4(F)CC[N@@H+](C(C)(C)C)C4)n3)c2)n1 ZINC000571012985 823120113 /nfs/dbraw/zinc/12/01/13/823120113.db2.gz ZDFFGIDKQMFDDG-JOCHJYFZSA-N 1 0 397.498 4.267 20 0 GIADRO C[C@H]1C[C@H](NC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)CC[N@@H+]1Cc1ccccc1 ZINC000176101718 823120815 /nfs/dbraw/zinc/12/08/15/823120815.db2.gz SAFDSPUILZJYEN-FXAWDEMLSA-N 1 0 394.563 4.298 20 0 GIADRO COc1cc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc(Cl)c1OCCC(C)C ZINC000121113474 823120879 /nfs/dbraw/zinc/12/08/79/823120879.db2.gz PZCKZIRRFFYKAN-QAPCUYQASA-N 1 0 396.959 4.186 20 0 GIADRO CC[NH+](CC)CCOc1ccc(C(=O)Nc2cccc(Cl)c2OC)cc1 ZINC000056287584 823121463 /nfs/dbraw/zinc/12/14/63/823121463.db2.gz ZSIVCBVRRDBHTK-UHFFFAOYSA-N 1 0 376.884 4.322 20 0 GIADRO C[C@H](NC(=O)c1c[nH]nc1-c1ccc(Cl)s1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000187737035 823122300 /nfs/dbraw/zinc/12/23/00/823122300.db2.gz GHEHDDZSIHAYQG-STQMWFEESA-N 1 0 392.956 4.174 20 0 GIADRO C[C@@H]([NH2+]CC1=CCN(C(=O)OC(C)(C)C)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000187747908 823124621 /nfs/dbraw/zinc/12/46/21/823124621.db2.gz MWMVNCMFCFFVNZ-QGZVFWFLSA-N 1 0 399.535 4.031 20 0 GIADRO C[N@H+](CCCn1ccnc1)Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000571033875 823122851 /nfs/dbraw/zinc/12/28/51/823122851.db2.gz CIEVFBHFJGMCJH-UHFFFAOYSA-N 1 0 391.544 4.379 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)N[C@@H]2CCO[C@H](c3cccs3)C2)CC1 ZINC000459069924 823123651 /nfs/dbraw/zinc/12/36/51/823123651.db2.gz MMQHBASAOFVSMV-MOPGFXCFSA-N 1 0 393.597 4.122 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)N1CCCC[C@@H]1c1ccc(F)cc1F ZINC000459073669 823124142 /nfs/dbraw/zinc/12/41/42/823124142.db2.gz DFQPTCQJVBESPL-HXUWFJFHSA-N 1 0 377.479 4.218 20 0 GIADRO Cc1cc(C[NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)ccc1-c1ccccc1 ZINC000187750439 823125284 /nfs/dbraw/zinc/12/52/84/823125284.db2.gz HKZODFNLHHERGT-KRWDZBQOSA-N 1 0 380.513 4.160 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C)c1 ZINC000187754853 823126158 /nfs/dbraw/zinc/12/61/58/823126158.db2.gz ZCDNTHHLDJAAFJ-QMTMVMCOSA-N 1 0 375.513 4.084 20 0 GIADRO C[C@H](Cc1ccccc1F)[NH2+]C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000187772140 823129981 /nfs/dbraw/zinc/12/99/81/823129981.db2.gz GDLMASBNGALTAQ-CQSZACIVSA-N 1 0 381.417 4.429 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000459095139 823127293 /nfs/dbraw/zinc/12/72/93/823127293.db2.gz HOPSDVXCVJLTOH-ZRBLBEILSA-N 1 0 381.564 4.371 20 0 GIADRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+]Cc1nnc(-c2cc(C)oc2C)o1 ZINC000571069582 823127575 /nfs/dbraw/zinc/12/75/75/823127575.db2.gz OEHPACROZNDWHM-YZGWKJHDSA-N 1 0 381.476 4.387 20 0 GIADRO C[C@H]1C[C@H](NC(=O)c2cccnc2SC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000176122276 823127619 /nfs/dbraw/zinc/12/76/19/823127619.db2.gz XVCIQBNQNUEJHI-GOEBONIOSA-N 1 0 391.487 4.179 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)CSc2ccc(F)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000176122357 823127667 /nfs/dbraw/zinc/12/76/67/823127667.db2.gz NYSCGDLTMUVHRX-WBVHZDCISA-N 1 0 390.499 4.226 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)NC1(c2c(Cl)cccc2Cl)CC1 ZINC000459104571 823128333 /nfs/dbraw/zinc/12/83/33/823128333.db2.gz MTJGKEBAQISTEW-UHFFFAOYSA-N 1 0 382.335 4.299 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1sccc1Br ZINC000056327570 823128781 /nfs/dbraw/zinc/12/87/81/823128781.db2.gz ZYMYEZCVEVITKG-UHFFFAOYSA-N 1 0 379.323 4.401 20 0 GIADRO CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000571078404 823128827 /nfs/dbraw/zinc/12/88/27/823128827.db2.gz LJPLOMBQUGQLHJ-RDTXWAMCSA-N 1 0 377.579 4.197 20 0 GIADRO [NH3+]Cc1ccc(C(=O)N2CCCC[C@H]2Cc2cccc(Br)c2)cc1 ZINC000571079940 823129085 /nfs/dbraw/zinc/12/90/85/823129085.db2.gz JOIRMLDQVVAOAT-IBGZPJMESA-N 1 0 387.321 4.145 20 0 GIADRO O=C(Nc1ccc(OCc2cccc(F)c2)c(F)c1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000176126357 823129470 /nfs/dbraw/zinc/12/94/70/823129470.db2.gz BLBUCBOZFIRDPB-LJQANCHMSA-N 1 0 399.441 4.022 20 0 GIADRO CN(Cc1nc2c(s1)CCCC2)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000176128921 823130646 /nfs/dbraw/zinc/13/06/46/823130646.db2.gz GBHIDHZPTRHECP-LJQANCHMSA-N 1 0 398.576 4.000 20 0 GIADRO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CCCC(C)(C)C2)C1 ZINC000459123368 823131072 /nfs/dbraw/zinc/13/10/72/823131072.db2.gz VNOQSJKGBXGWJM-MSOLQXFVSA-N 1 0 392.613 4.131 20 0 GIADRO O=C(N[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000459130769 823132500 /nfs/dbraw/zinc/13/25/00/823132500.db2.gz GHZMTZYXOGUVOM-YVWKXTFCSA-N 1 0 375.944 4.103 20 0 GIADRO COc1cccc(C[C@H]([NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)C2CC2)c1 ZINC000121177032 823132636 /nfs/dbraw/zinc/13/26/36/823132636.db2.gz VQKPWGRZEWULMR-QHCPKHFHSA-N 1 0 378.516 4.042 20 0 GIADRO COc1ccc(-c2csc(CNC(=O)NC3CC[NH+](C(C)C)CC3)c2)cc1 ZINC000176146601 823135534 /nfs/dbraw/zinc/13/55/34/823135534.db2.gz GZIRSOHZUXKTJN-UHFFFAOYSA-N 1 0 387.549 4.096 20 0 GIADRO C[C@H]1C[C@H](NC(=O)CCC(=O)c2ccc(Cl)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000176137893 823133238 /nfs/dbraw/zinc/13/32/38/823133238.db2.gz HXKVHIKGJLPLLL-LAUBAEHRSA-N 1 0 398.934 4.472 20 0 GIADRO Cc1cccc(Nc2nn(CN3CC[C@@H](Oc4ccncc4)C3)c(=S)s2)c1 ZINC000121180216 823133549 /nfs/dbraw/zinc/13/35/49/823133549.db2.gz XUCYFCIAJOJHRA-QGZVFWFLSA-N 1 0 399.545 4.232 20 0 GIADRO Cc1noc(C2CCC([NH2+][C@@H]3CCOc4c(Br)cccc43)CC2)n1 ZINC000571112648 823133908 /nfs/dbraw/zinc/13/39/08/823133908.db2.gz KXILYTGWFBOHLL-SEEARECTSA-N 1 0 392.297 4.280 20 0 GIADRO Cc1cc(NC2CC[NH+](C3CC3)CC2)c2cc(Br)cc(F)c2n1 ZINC000571113989 823134158 /nfs/dbraw/zinc/13/41/58/823134158.db2.gz FVDMCFZFFKNNFY-UHFFFAOYSA-N 1 0 378.289 4.484 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccccc2O[C@H](C)C(F)(F)F)C[C@H]1C ZINC000571123380 823135730 /nfs/dbraw/zinc/13/57/30/823135730.db2.gz VDRBDXDHLIDJQT-KFWWJZLASA-N 1 0 387.446 4.353 20 0 GIADRO CCOc1cc(C[NH2+]C2CCN(C)CC2)ccc1OCCOc1ccc(C)cc1 ZINC000121196422 823136602 /nfs/dbraw/zinc/13/66/02/823136602.db2.gz CYCBOCMOXXSELN-UHFFFAOYSA-N 1 0 398.547 4.035 20 0 GIADRO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(C(=O)NCC(C)(C)C2=CCCC2)C1 ZINC000459174444 823138115 /nfs/dbraw/zinc/13/81/15/823138115.db2.gz OLTNOSFCBNOOHE-QGZVFWFLSA-N 1 0 390.597 4.051 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc([C@@H]2CCOC2)cc1)c1ccc(Cl)cc1 ZINC000571139802 823140094 /nfs/dbraw/zinc/14/00/94/823140094.db2.gz FEMGCGDGWQRISB-XLIONFOSSA-N 1 0 387.911 4.268 20 0 GIADRO O[C@@H](C[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1)c1ccccc1F ZINC000121217363 823141036 /nfs/dbraw/zinc/14/10/36/823141036.db2.gz BZKFRECLBMEOGM-FQEVSTJZSA-N 1 0 386.854 4.276 20 0 GIADRO COc1cccc(C[C@H]([NH2+]C[C@H]2CCN(c3ccccc3OC)C2)C2CC2)c1 ZINC000121218316 823141058 /nfs/dbraw/zinc/14/10/58/823141058.db2.gz VJBFMFYOXGUYHZ-KNQAVFIVSA-N 1 0 380.532 4.141 20 0 GIADRO C[C@H](CCNc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1)c1ccccc1 ZINC000571150952 823141299 /nfs/dbraw/zinc/14/12/99/823141299.db2.gz ZGCFLIOVDDHMDV-LJQANCHMSA-N 1 0 379.548 4.032 20 0 GIADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)N[C@@H](C)c1cccc(C)c1 ZINC000459194708 823141556 /nfs/dbraw/zinc/14/15/56/823141556.db2.gz GAMMSQIXAMIPTP-UGKGYDQZSA-N 1 0 380.536 4.147 20 0 GIADRO C[C@H]([NH2+][C@H]1CCO[C@@H](c2ccnn2C)C1)c1csc(-c2ccccc2F)n1 ZINC000571156707 823141979 /nfs/dbraw/zinc/14/19/79/823141979.db2.gz QBQBLTLPJLDJCR-CKFHNAJUSA-N 1 0 386.496 4.254 20 0 GIADRO C[C@H](c1cc(F)ccc1F)N(C)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000056393781 823142032 /nfs/dbraw/zinc/14/20/32/823142032.db2.gz FVNAPDYMAQVHHO-MRXNPFEDSA-N 1 0 387.474 4.116 20 0 GIADRO CN(CCCOc1cccc(Cl)c1)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000056396238 823142451 /nfs/dbraw/zinc/14/24/51/823142451.db2.gz RVBOMECMJDXIRM-UHFFFAOYSA-N 1 0 389.927 4.012 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CC[C@@H](O)[C@H]3c3ccc(Cl)cc3)ccc21 ZINC000571160392 823142899 /nfs/dbraw/zinc/14/28/99/823142899.db2.gz CUUWZIURHQVMSY-NJDAHSKKSA-N 1 0 399.922 4.229 20 0 GIADRO Cc1cccc([C@H](C)NC(=O)N2CCC[C@@H]([N@H+](C)Cc3ccccn3)CC2)c1 ZINC000459214699 823145878 /nfs/dbraw/zinc/14/58/78/823145878.db2.gz NXNDLOOZQDLCIA-SIKLNZKXSA-N 1 0 380.536 4.147 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@H](C)C[C@H](O)c2cccs2)cc1Cn1cccn1 ZINC000121231729 823143417 /nfs/dbraw/zinc/14/34/17/823143417.db2.gz ZYFQWWAYDNVKSM-GJYPPUQNSA-N 1 0 385.533 4.164 20 0 GIADRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)c2noc3c2CCCC3)cc1 ZINC000056402920 823144292 /nfs/dbraw/zinc/14/42/92/823144292.db2.gz HMWOFJFCALTTHD-UHFFFAOYSA-N 1 0 389.499 4.212 20 0 GIADRO COc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCCC[C@@H]3C(F)(F)F)CC2)cc1 ZINC000056407319 823144967 /nfs/dbraw/zinc/14/49/67/823144967.db2.gz VMPFDRVXPYSVMU-MOPGFXCFSA-N 1 0 398.469 4.098 20 0 GIADRO O=C(NCc1ccc2c[nH+]cn2c1)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000459210786 823144960 /nfs/dbraw/zinc/14/49/60/823144960.db2.gz JIFFCSRGYIZTQB-GOSISDBHSA-N 1 0 399.292 4.144 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)N1CCc2c3ccccc3[nH]c2C1)c1ccc(Cl)cc1 ZINC000571184593 823145434 /nfs/dbraw/zinc/14/54/34/823145434.db2.gz AXOYNURLRAJBBV-NRFANRHFSA-N 1 0 396.922 4.192 20 0 GIADRO C[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)c1ccc(Oc2cccnc2)cc1 ZINC000571196590 823146995 /nfs/dbraw/zinc/14/69/95/823146995.db2.gz NOYNMRBLSZXHKM-QGZVFWFLSA-N 1 0 375.472 4.427 20 0 GIADRO C[C@@H](c1ccccc1Cl)N(C)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000056421676 823147265 /nfs/dbraw/zinc/14/72/65/823147265.db2.gz OAMAOJFNPDECMJ-INIZCTEOSA-N 1 0 386.927 4.102 20 0 GIADRO C[NH+](C)Cc1cccc(C(=O)N2CCCCC[C@H]2CC(=O)c2ccccc2)c1 ZINC000176201142 823151147 /nfs/dbraw/zinc/15/11/47/823151147.db2.gz XSCJMLIIQYWLMM-QFIPXVFZSA-N 1 0 378.516 4.406 20 0 GIADRO CO[C@@H]1CN(C(=O)Nc2ccc(SCC[NH+]3CCCCC3)cc2)CC[C@@H]1C ZINC000571203773 823148134 /nfs/dbraw/zinc/14/81/34/823148134.db2.gz GXKWULDUYNHIKM-FXAWDEMLSA-N 1 0 391.581 4.153 20 0 GIADRO CC(C)c1cc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)n(-c2ccccc2)n1 ZINC000571211658 823149297 /nfs/dbraw/zinc/14/92/97/823149297.db2.gz BJNVLXOSOCKDRB-JLYLLQBASA-N 1 0 381.524 4.133 20 0 GIADRO COc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@H]2CCc4nc[nH]c4C2)CCC3)cc1 ZINC000571211741 823149403 /nfs/dbraw/zinc/14/94/03/823149403.db2.gz CYPVHGLSGSPISJ-WMLDXEAASA-N 1 0 380.517 4.066 20 0 GIADRO Fc1ccc([C@@H]([NH2+]CCc2ccc(F)c(Br)c2)c2ncc[nH]2)cc1 ZINC000187878717 823151408 /nfs/dbraw/zinc/15/14/08/823151408.db2.gz QJCBAUIGJRENEG-QGZVFWFLSA-N 1 0 392.247 4.372 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1N1CCOCC1)CCCS2 ZINC000187874813 823150917 /nfs/dbraw/zinc/15/09/17/823150917.db2.gz ZSJQYRZEDREVCH-HXUWFJFHSA-N 1 0 384.545 4.249 20 0 GIADRO C[N@@H+]1CCC[C@@H](CCNC(=O)N(Cc2ccc(F)cc2Cl)CC2CC2)C1 ZINC000459284865 823156229 /nfs/dbraw/zinc/15/62/29/823156229.db2.gz DZMHOKHAKSBPKG-HNNXBMFYSA-N 1 0 381.923 4.133 20 0 GIADRO CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000459264552 823153726 /nfs/dbraw/zinc/15/37/26/823153726.db2.gz NFYNNGMLAUQMMH-INIZCTEOSA-N 1 0 385.474 4.357 20 0 GIADRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3csc(-c4ccc(Cl)cc4)n3)[C@@H]2C1 ZINC000571240111 823153839 /nfs/dbraw/zinc/15/38/39/823153839.db2.gz LHQCXLHJOLUXKZ-IPELMVKDSA-N 1 0 389.952 4.200 20 0 GIADRO C[C@H]([NH2+]CC(=O)NCc1cc(F)cc(F)c1)c1ccc(Oc2cccnc2)cc1 ZINC000571240598 823154017 /nfs/dbraw/zinc/15/40/17/823154017.db2.gz PYOKAZCBNDNPBD-HNNXBMFYSA-N 1 0 397.425 4.119 20 0 GIADRO Cc1cc(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)c(F)cc1F ZINC000176212713 823154091 /nfs/dbraw/zinc/15/40/91/823154091.db2.gz SNFOWFUIGXLLDX-UHFFFAOYSA-N 1 0 376.472 4.383 20 0 GIADRO COc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(F)cc3)CC2)cc1Cl ZINC000121281750 823154266 /nfs/dbraw/zinc/15/42/66/823154266.db2.gz JGRJCGOBBSMPKV-UHFFFAOYSA-N 1 0 376.859 4.338 20 0 GIADRO Clc1cccc([C@@H](C[NH2+][C@H]2CCCNc3ccccc32)N2CCOCC2)c1 ZINC000571247263 823155024 /nfs/dbraw/zinc/15/50/24/823155024.db2.gz ZFGXNSXCHPQQIO-FCHUYYIVSA-N 1 0 385.939 4.250 20 0 GIADRO Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000571248334 823155350 /nfs/dbraw/zinc/15/53/50/823155350.db2.gz JFXHVWPYONCCME-QGZVFWFLSA-N 1 0 382.508 4.098 20 0 GIADRO CCC[C@H](NC(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1)C1CCCC1 ZINC000459288332 823156686 /nfs/dbraw/zinc/15/66/86/823156686.db2.gz PZCXIMNBXUKAQB-QFIPXVFZSA-N 1 0 386.584 4.089 20 0 GIADRO CN(C)C(=O)C1CC[NH+](C/C=C/c2ccc(OCc3ccccc3)cc2)CC1 ZINC000459284589 823156127 /nfs/dbraw/zinc/15/61/27/823156127.db2.gz FUBASFUMZXZWCV-RMKNXTFCSA-N 1 0 378.516 4.079 20 0 GIADRO Cc1cccc(O[C@H](C)c2nnc(N3C[C@H]4CCC[N@@H+]4C[C@@H]3C)n2C2CC2)c1C ZINC000571291644 823161156 /nfs/dbraw/zinc/16/11/56/823161156.db2.gz KCRHXCCDTJYNFR-ILZDJORESA-N 1 0 395.551 4.043 20 0 GIADRO COc1ccc(-c2csc(CNC(=O)NC3CC[NH+](CC4CC4)CC3)c2)cc1 ZINC000176243187 823161201 /nfs/dbraw/zinc/16/12/01/823161201.db2.gz MMFUCUMWQTWUDQ-UHFFFAOYSA-N 1 0 399.560 4.097 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)N([C@@H](C)c1ccco1)C1CC1)[NH+]1CCCC1 ZINC000121300428 823158566 /nfs/dbraw/zinc/15/85/66/823158566.db2.gz AOCBPKCJORDGPR-PXNSSMCTSA-N 1 0 397.519 4.360 20 0 GIADRO O=C(NC1CC[NH+](C/C=C\c2ccc(OCc3ccccc3)cc2)CC1)C1CC1 ZINC000459301376 823158706 /nfs/dbraw/zinc/15/87/06/823158706.db2.gz DAQCHJNTLASIMD-DAXSKMNVSA-N 1 0 390.527 4.269 20 0 GIADRO CC(C)[NH+]1CCC(N(C)Cc2cn(C3CCCC3)nc2-c2ccccn2)CC1 ZINC000459301286 823158737 /nfs/dbraw/zinc/15/87/37/823158737.db2.gz CMCMVMDRGDMZHD-UHFFFAOYSA-N 1 0 381.568 4.365 20 0 GIADRO C[C@@H]1CN(c2ccccc2C[N@H+](C)Cc2ccccc2N2CCCC2)CCO1 ZINC000459301237 823158780 /nfs/dbraw/zinc/15/87/80/823158780.db2.gz JIRQLGHEHCKANF-HXUWFJFHSA-N 1 0 379.548 4.144 20 0 GIADRO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC[C@](C)(O)c1ccccc1 ZINC000187925713 823159037 /nfs/dbraw/zinc/15/90/37/823159037.db2.gz LSXBHRYKVSGYND-YWZLYKJASA-N 1 0 394.437 4.310 20 0 GIADRO CNC(=O)c1ccc(C[N@H+](Cc2ccc(OCC(F)(F)F)cc2)C2CC2)cc1 ZINC000056491827 823159190 /nfs/dbraw/zinc/15/91/90/823159190.db2.gz WLQXCDGPSDZTSV-UHFFFAOYSA-N 1 0 392.421 4.152 20 0 GIADRO COC[C@H]([NH2+]Cc1ccc(OC(C)C)cc1C(F)(F)F)C1CCOCC1 ZINC000187929302 823159698 /nfs/dbraw/zinc/15/96/98/823159698.db2.gz LCEZULYMQWTWPW-SFHVURJKSA-N 1 0 375.431 4.024 20 0 GIADRO COc1ccc(CNc2ccc3c(c2)C[N@@H+](C)C3)cc1OCc1cccnc1 ZINC000121306476 823159872 /nfs/dbraw/zinc/15/98/72/823159872.db2.gz DILZQUGBMWCIDX-UHFFFAOYSA-N 1 0 375.472 4.227 20 0 GIADRO NC(=O)CC[C@@H]1CCC[N@H+](C/C=C/c2ccc(OCc3ccccc3)cc2)C1 ZINC000459317456 823160332 /nfs/dbraw/zinc/16/03/32/823160332.db2.gz AZWNXIZQHSEFQQ-VPVJOJIASA-N 1 0 378.516 4.256 20 0 GIADRO CC[NH+]1CCC(NC(=O)N([C@@H](C)c2cccc(C(F)(F)F)c2)C2CC2)CC1 ZINC000121309924 823160500 /nfs/dbraw/zinc/16/05/00/823160500.db2.gz MPUAPFSVHIVTLT-AWEZNQCLSA-N 1 0 383.458 4.425 20 0 GIADRO Cn1cnnc1C1CC[NH+](C/C=C/c2ccc(OCc3ccccc3)cc2)CC1 ZINC000459319686 823160730 /nfs/dbraw/zinc/16/07/30/823160730.db2.gz DLUAUEVKBMBLTR-VMPITWQZSA-N 1 0 388.515 4.287 20 0 GIADRO Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+](C[C@@H]3CCC4(CCCC4)O3)C2)cc1 ZINC000571301192 823162032 /nfs/dbraw/zinc/16/20/32/823162032.db2.gz ATSQUULUBLPYHK-CTNGQTDRSA-N 1 0 385.552 4.320 20 0 GIADRO CCN(C(=O)Cc1ccc(NC2CC[NH+](C3CC3)CC2)cc1)c1ccccc1 ZINC000459343438 823166060 /nfs/dbraw/zinc/16/60/60/823166060.db2.gz FXVNKJYDZNGADI-UHFFFAOYSA-N 1 0 377.532 4.321 20 0 GIADRO Oc1cccc(C[NH+]2CCC(c3c[nH]c4ncccc34)CC2)c1Br ZINC000459332820 823163085 /nfs/dbraw/zinc/16/30/85/823163085.db2.gz XLRNWCKTARRGED-UHFFFAOYSA-N 1 0 386.293 4.411 20 0 GIADRO C[C@@H]1CC[C@](CO)([N@H+](C)CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)C1 ZINC000187954792 823163305 /nfs/dbraw/zinc/16/33/05/823163305.db2.gz UPKKRJAIGHGQFT-HWPZZCPQSA-N 1 0 379.715 4.068 20 0 GIADRO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]Cc2ccc(C(N)=O)cc2)cc1 ZINC000121325610 823163873 /nfs/dbraw/zinc/16/38/73/823163873.db2.gz XLOPPCJVQJASPB-UHFFFAOYSA-N 1 0 396.494 4.236 20 0 GIADRO Cc1coc2ccc(NC(=O)N3CCC(CC[NH+]4C[C@@H](C)O[C@H](C)C4)CC3)cc12 ZINC000187959085 823163901 /nfs/dbraw/zinc/16/39/01/823163901.db2.gz TZAAMLLHIDAJIX-QZTJIDSGSA-N 1 0 399.535 4.484 20 0 GIADRO COCCOC1CC[NH+](C/C=C/c2ccc(OCc3ccccc3)cc2)CC1 ZINC000459341901 823165548 /nfs/dbraw/zinc/16/55/48/823165548.db2.gz GEDGYLWTZMVWMA-VMPITWQZSA-N 1 0 381.516 4.406 20 0 GIADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)Cc1ccc(OC(F)F)c(F)c1 ZINC000571327763 823165776 /nfs/dbraw/zinc/16/57/76/823165776.db2.gz FPVZHZMUBFJMKB-SFHVURJKSA-N 1 0 393.453 4.309 20 0 GIADRO C[N@@H+]1CCC[C@H]1CCN1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 ZINC000121339346 823165881 /nfs/dbraw/zinc/16/58/81/823165881.db2.gz MMRKXRDBVOARSD-SFHVURJKSA-N 1 0 396.510 4.312 20 0 GIADRO O=C1C[C@H]([C@H]2CCCC[N@@H+]2C/C=C/c2ccc(OCc3ccccc3)cc2)CN1 ZINC000459360471 823171601 /nfs/dbraw/zinc/17/16/01/823171601.db2.gz OHXFXJFONIWUBL-GZRMHDBXSA-N 1 0 390.527 4.269 20 0 GIADRO Cc1cc(F)c(CNc2ccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)cc2)c(Cl)c1 ZINC000459347686 823167368 /nfs/dbraw/zinc/16/73/68/823167368.db2.gz GPJXRYABFPYNCJ-MRXNPFEDSA-N 1 0 389.902 4.097 20 0 GIADRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)CCc1cccc(N(C)C)c1 ZINC000187985363 823167681 /nfs/dbraw/zinc/16/76/81/823167681.db2.gz VERQHLVGYKWCTM-UHFFFAOYSA-N 1 0 397.588 4.181 20 0 GIADRO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)N1CCC[C@H]1c1ccccn1 ZINC000056555513 823168925 /nfs/dbraw/zinc/16/89/25/823168925.db2.gz REIJNZVWLQMBPU-SFTDATJTSA-N 1 0 398.938 4.419 20 0 GIADRO Cc1ncc2c(n1)CC[C@@H]([NH2+][C@H]1CCCOc3c(Cl)c(Cl)ccc31)C2 ZINC000571349494 823169295 /nfs/dbraw/zinc/16/92/95/823169295.db2.gz ZPTBDQPRDNEOJN-DYVFJYSZSA-N 1 0 378.303 4.453 20 0 GIADRO CO[C@@H](C)c1nc(C)c(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)s1 ZINC000176274326 823169375 /nfs/dbraw/zinc/16/93/75/823169375.db2.gz IKWNQBJCTYPNOW-FUHWJXTLSA-N 1 0 387.549 4.034 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176274509 823169443 /nfs/dbraw/zinc/16/94/43/823169443.db2.gz AREMFXKOXIFTBK-UHFFFAOYSA-N 1 0 395.551 4.408 20 0 GIADRO Cc1nc2ccccc2nc1C[N@@H+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000571353382 823169909 /nfs/dbraw/zinc/16/99/09/823169909.db2.gz YCGNCIKUGJFSBZ-UHFFFAOYSA-N 1 0 380.923 4.300 20 0 GIADRO Clc1cnn(CC[N@@H+]2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c1 ZINC000459361150 823171957 /nfs/dbraw/zinc/17/19/57/823171957.db2.gz FUXUCYJCDUVCTF-CQSZACIVSA-N 1 0 392.290 4.120 20 0 GIADRO CO[C@@H](C)c1nc(CN2CCC[N@H+](CCc3cccc(Cl)c3)CC2)cs1 ZINC000459357597 823170482 /nfs/dbraw/zinc/17/04/82/823170482.db2.gz PDKYFNRNGYSUCM-INIZCTEOSA-N 1 0 393.984 4.254 20 0 GIADRO C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]C1CCN(c2ccccn2)CC1 ZINC000121363506 823170613 /nfs/dbraw/zinc/17/06/13/823170613.db2.gz ALRDGLALXNQCMM-INIZCTEOSA-N 1 0 375.463 4.263 20 0 GIADRO CC(C)[C@@H](CNCc1cn(C2CCCC2)nc1-c1ccccn1)[NH+]1CCCC1 ZINC000459358013 823170765 /nfs/dbraw/zinc/17/07/65/823170765.db2.gz ASGLQAFLYYUOPE-JOCHJYFZSA-N 1 0 381.568 4.270 20 0 GIADRO C[C@@H](NC(=O)Nc1ccccc1O[C@@H](C)C(F)(F)F)C(C)(C)C[NH+](C)C ZINC000571361439 823171080 /nfs/dbraw/zinc/17/10/80/823171080.db2.gz WVUNDCRTFSSURP-OLZOCXBDSA-N 1 0 375.435 4.114 20 0 GIADRO Cc1ccc(NC2CCN(c3cc[nH+]cc3)CC2)cc1OCC1CCOCC1 ZINC000459360280 823171368 /nfs/dbraw/zinc/17/13/68/823171368.db2.gz HAOBIOFFUJCHMW-UHFFFAOYSA-N 1 0 381.520 4.276 20 0 GIADRO Oc1cccc(CNC[C@@H](c2cccs2)[NH+]2CCCC2)c1Br ZINC000459362095 823172256 /nfs/dbraw/zinc/17/22/56/823172256.db2.gz GRFLTYWCODNBLM-AWEZNQCLSA-N 1 0 381.339 4.143 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1C[NH2+]Cc1ccc(Cn2ccnc2)cc1 ZINC000459363670 823172844 /nfs/dbraw/zinc/17/28/44/823172844.db2.gz IYGDLVIOZLSVCI-UHFFFAOYSA-N 1 0 377.517 4.116 20 0 GIADRO COc1ccccc1C(C)(C)c1noc([C@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000571370318 823172891 /nfs/dbraw/zinc/17/28/91/823172891.db2.gz SMVWCMRGKKHQSF-SFHVURJKSA-N 1 0 392.503 4.179 20 0 GIADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(C)(C)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000188021190 823173370 /nfs/dbraw/zinc/17/33/70/823173370.db2.gz VDGDOFGYJGMBQS-SJLPKXTDSA-N 1 0 382.470 4.217 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(N[C@H](c2ncc[nH]2)c2ccc(F)cc2)CC1 ZINC000188024934 823173781 /nfs/dbraw/zinc/17/37/81/823173781.db2.gz NEVBVFKPJMGLIO-VGSWGCGISA-N 1 0 378.495 4.453 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(N[C@H](c2ncc[nH]2)c2ccc(F)cc2)CC1 ZINC000188024904 823173818 /nfs/dbraw/zinc/17/38/18/823173818.db2.gz NEVBVFKPJMGLIO-JTSKRJEESA-N 1 0 378.495 4.453 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)NCc2ccccc2N2CCCC2)cc1 ZINC000056577730 823173979 /nfs/dbraw/zinc/17/39/79/823173979.db2.gz DCDLBKUZIXXWAT-UHFFFAOYSA-N 1 0 394.563 4.128 20 0 GIADRO Oc1cccc(CN[C@H](C[NH+]2CCCC2)c2ccccc2)c1Br ZINC000459369516 823174473 /nfs/dbraw/zinc/17/44/73/823174473.db2.gz OGLGLUIKKYNNIF-QGZVFWFLSA-N 1 0 375.310 4.081 20 0 GIADRO CN(c1ccc(NC(=O)[C@H]2CCCc3sccc32)cc1)C1CC[NH+](C)CC1 ZINC000121385285 823174957 /nfs/dbraw/zinc/17/49/57/823174957.db2.gz YRLXHESAXOZITI-FQEVSTJZSA-N 1 0 383.561 4.337 20 0 GIADRO COc1cc2c(cc1C[NH2+]Cc1c(C)nc3scc(C4CC4)n13)O[C@@H](C)C2 ZINC000459374720 823176198 /nfs/dbraw/zinc/17/61/98/823176198.db2.gz XZSJVIRSTBLKIX-LBPRGKRZSA-N 1 0 383.517 4.203 20 0 GIADRO C[C@H]([NH2+][C@H]1CCOc2c(F)cccc21)c1ccc(OCc2nccn2C)cc1 ZINC000188050700 823177814 /nfs/dbraw/zinc/17/78/14/823177814.db2.gz XKMKKTMTORAGKX-YWZLYKJASA-N 1 0 381.451 4.313 20 0 GIADRO CC(C)(C)OC(=O)NC1CCC([NH2+][C@H](c2ncc[nH]2)c2ccc(F)cc2)CC1 ZINC000188050678 823177934 /nfs/dbraw/zinc/17/79/34/823177934.db2.gz PPWNIUHMQIIZQZ-ABHNRTSZSA-N 1 0 388.487 4.064 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)N[C@H]2CCC[C@H](F)C2)CC1 ZINC000571402173 823178085 /nfs/dbraw/zinc/17/80/85/823178085.db2.gz KTHDODMNCOAYAN-GJZGRUSLSA-N 1 0 383.895 4.215 20 0 GIADRO CO[C@H]1CCN(Cc2ccc(-c3ccc(C(F)(F)F)cc3)s2)[C@@H](C[NH3+])C1 ZINC000571403541 823178147 /nfs/dbraw/zinc/17/81/47/823178147.db2.gz LFQCBHGQHNRRFF-CVEARBPZSA-N 1 0 384.467 4.372 20 0 GIADRO COc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](c3ccc(F)cc3)C[C@H]2C)c(OC)c1 ZINC000121430488 823183106 /nfs/dbraw/zinc/18/31/06/823183106.db2.gz AHDOOPDKFHGNED-VYDXJSESSA-N 1 0 386.467 4.048 20 0 GIADRO COc1ccc(OC(C)C)c(NC(=O)N(CC[NH+](C)C)Cc2ccsc2)c1 ZINC000459388054 823180230 /nfs/dbraw/zinc/18/02/30/823180230.db2.gz KSULVNPQYPDBDP-UHFFFAOYSA-N 1 0 391.537 4.140 20 0 GIADRO CCCOc1ccc([C@H](C)[NH2+]Cc2cc(=O)[nH]c(-c3ccccc3)n2)cc1OC ZINC000459387486 823180322 /nfs/dbraw/zinc/18/03/22/823180322.db2.gz DDWUAFKGJWJAQJ-INIZCTEOSA-N 1 0 393.487 4.497 20 0 GIADRO COc1cc([C@H](C)[NH2+]Cc2cc(=O)[nH]c(-c3ccccc3)n2)ccc1OC(C)C ZINC000459388830 823180569 /nfs/dbraw/zinc/18/05/69/823180569.db2.gz GOKMGHXFAWNRCU-INIZCTEOSA-N 1 0 393.487 4.496 20 0 GIADRO CC1CC[NH+](Cc2ccc(CNC(=O)N3CCC[C@@H]3c3ccccn3)cc2)CC1 ZINC000056611382 823180746 /nfs/dbraw/zinc/18/07/46/823180746.db2.gz GTSYUBAJCVVDSE-HSZRJFAPSA-N 1 0 392.547 4.360 20 0 GIADRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(c2ncnc3scc(-c4ccccc4)c32)C1 ZINC000571427782 823181243 /nfs/dbraw/zinc/18/12/43/823181243.db2.gz IYYRQUKBICHGPX-ROUUACIJSA-N 1 0 394.544 4.048 20 0 GIADRO OCCC1(C[NH2+][C@@H](c2cccc(F)c2)c2cccc(Br)c2)CC1 ZINC000188072992 823181904 /nfs/dbraw/zinc/18/19/04/823181904.db2.gz VXENNXABGZIUMM-GOSISDBHSA-N 1 0 378.285 4.430 20 0 GIADRO COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]Cc2cc(=O)[nH]c(C3CC3)n2)cc1 ZINC000459394763 823182294 /nfs/dbraw/zinc/18/22/94/823182294.db2.gz OQDIVXFYTVYZKD-OAQYLSRUSA-N 1 0 393.462 4.281 20 0 GIADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(NC(=O)c3ccc(F)cc3)cc2)[C@@H]1SC ZINC000459395456 823182316 /nfs/dbraw/zinc/18/23/16/823182316.db2.gz HVPDDIAUKSNDCP-AQNXPRMDSA-N 1 0 388.508 4.077 20 0 GIADRO Cc1csc([C@H]([NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)C2CC2)n1 ZINC000188075292 823182605 /nfs/dbraw/zinc/18/26/05/823182605.db2.gz HGDLYCVELKZMOV-LADRWXRNSA-N 1 0 395.528 4.100 20 0 GIADRO CCN(Cc1c[nH]c2ccccc12)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000188084567 823183854 /nfs/dbraw/zinc/18/38/54/823183854.db2.gz PATLODDMMDFUDP-NRFANRHFSA-N 1 0 382.483 4.141 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCc1csc(-c2ccco2)n1 ZINC000121436355 823184042 /nfs/dbraw/zinc/18/40/42/823184042.db2.gz WIFKSELKXQYWSH-UHFFFAOYSA-N 1 0 398.532 4.196 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1c(Cl)cccc1Cl ZINC000176331695 823184390 /nfs/dbraw/zinc/18/43/90/823184390.db2.gz AWDSIVAHXLDAIQ-GUYCJALGSA-N 1 0 378.303 4.029 20 0 GIADRO COC(=O)CC[C@@H]([NH2+]Cc1c(C)nc2scc(C3CC3)n12)c1ccccc1 ZINC000459401829 823184859 /nfs/dbraw/zinc/18/48/59/823184859.db2.gz IXPZJFFTNONPJS-QGZVFWFLSA-N 1 0 383.517 4.366 20 0 GIADRO COC(=O)CC[C@H]([NH2+]Cc1c(C)nc2scc(C3CC3)n12)c1ccccc1 ZINC000459401826 823184924 /nfs/dbraw/zinc/18/49/24/823184924.db2.gz IXPZJFFTNONPJS-KRWDZBQOSA-N 1 0 383.517 4.366 20 0 GIADRO CC[C@H]([NH2+]Cc1cc(=O)[nH]c(C2CC2)n1)c1cc(F)cc(Br)c1 ZINC000459419206 823188648 /nfs/dbraw/zinc/18/86/48/823188648.db2.gz BHUZWGJRJOXOPF-HNNXBMFYSA-N 1 0 380.261 4.202 20 0 GIADRO C[C@H](Cc1cccc(O)c1)[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459404847 823185639 /nfs/dbraw/zinc/18/56/39/823185639.db2.gz JOXYIUIPVQOCIA-QGZVFWFLSA-N 1 0 376.504 4.487 20 0 GIADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)N[C@@H]1CCc2ccc(-c3ccccc3)cc21 ZINC000188098691 823186120 /nfs/dbraw/zinc/18/61/20/823186120.db2.gz NCMJQOYXMSJBOB-ZQMYSKGWSA-N 1 0 377.532 4.323 20 0 GIADRO COc1ccc([C@@H]([NH2+]CCc2cn[nH]c2)c2ccc(C(F)(F)F)cc2)cc1 ZINC000459408634 823186533 /nfs/dbraw/zinc/18/65/33/823186533.db2.gz XGPXTNUKERQZJJ-IBGZPJMESA-N 1 0 375.394 4.359 20 0 GIADRO C[C@H]([NH2+]C[C@@H](c1cccs1)N1CCCC1)c1cncc(Br)c1 ZINC000571463726 823186471 /nfs/dbraw/zinc/18/64/71/823186471.db2.gz IIWFUHIJSMTYRX-BBRMVZONSA-N 1 0 380.355 4.393 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NCc2cccc(O)c2Br)CC1 ZINC000459410809 823187026 /nfs/dbraw/zinc/18/70/26/823187026.db2.gz LBPCQJMZVUZJES-HNNXBMFYSA-N 1 0 389.337 4.470 20 0 GIADRO O[C@@]1(C[NH2+][C@@H](c2ccc(Br)cc2Cl)C2CC2)CCSC1 ZINC000188106082 823187243 /nfs/dbraw/zinc/18/72/43/823187243.db2.gz SXBBAAUVBXRTFA-HUUCEWRRSA-N 1 0 376.747 4.011 20 0 GIADRO COc1ccc(NC(=O)Nc2ccc(C)cc2OCC[NH+](C)C)cc1SC ZINC000459413477 823187267 /nfs/dbraw/zinc/18/72/67/823187267.db2.gz MTSIBBMYHHXUNL-UHFFFAOYSA-N 1 0 389.521 4.310 20 0 GIADRO O=C(NCC[NH2+][C@@H](c1ccccc1)c1ccc(Br)cc1)c1ccco1 ZINC000188108207 823187637 /nfs/dbraw/zinc/18/76/37/823187637.db2.gz JQWZDQZPTHAAFE-IBGZPJMESA-N 1 0 399.288 4.151 20 0 GIADRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)Nc1ccc(-c2ncon2)cc1 ZINC000571480429 823189363 /nfs/dbraw/zinc/18/93/63/823189363.db2.gz JMLWDTORWOUOEI-HXUWFJFHSA-N 1 0 393.491 4.015 20 0 GIADRO CCCN(C(=O)[C@@H](CC)Cc1cccc(Br)c1)C1CC[NH2+]CC1 ZINC000571521203 823195386 /nfs/dbraw/zinc/19/53/86/823195386.db2.gz ZYRGMQNSJIWCAK-INIZCTEOSA-N 1 0 381.358 4.008 20 0 GIADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N(CCC(F)(F)F)CC1CC1 ZINC000176351966 823189608 /nfs/dbraw/zinc/18/96/08/823189608.db2.gz MPDGSNAJFHZRSC-HNNXBMFYSA-N 1 0 389.487 4.259 20 0 GIADRO CCC[NH+]1CCC(CNC(=O)N(CCC(F)(F)F)Cc2ccccc2)CC1 ZINC000188121040 823189713 /nfs/dbraw/zinc/18/97/13/823189713.db2.gz CXURQCSIVKGIOL-UHFFFAOYSA-N 1 0 385.474 4.273 20 0 GIADRO CN(CC1(c2ccccc2)CC1)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000188122436 823189964 /nfs/dbraw/zinc/18/99/64/823189964.db2.gz XKAFDYMTDAHNSK-UHFFFAOYSA-N 1 0 397.588 4.333 20 0 GIADRO C[C@@H]([NH2+]Cc1cc(=O)[nH]c(C2CC2)n1)c1cccc(OCc2ccccc2)c1 ZINC000459427073 823190269 /nfs/dbraw/zinc/19/02/69/823190269.db2.gz ODNPSEHPNIBEPC-MRXNPFEDSA-N 1 0 375.472 4.489 20 0 GIADRO Cc1ccc([C@H](CNC(=O)c2c(F)cccc2Br)[NH+]2CCCC2)o1 ZINC000176357298 823190456 /nfs/dbraw/zinc/19/04/56/823190456.db2.gz WHESFJAWFVRDGY-HNNXBMFYSA-N 1 0 395.272 4.057 20 0 GIADRO CCCCCOc1ccc(C[NH2+]C2CCN(C(=O)c3ccncc3)CC2)cc1 ZINC000121478265 823192074 /nfs/dbraw/zinc/19/20/74/823192074.db2.gz LSXMXDQHWCPGPF-UHFFFAOYSA-N 1 0 381.520 4.045 20 0 GIADRO CC(=O)N1CC[C@H]([NH2+]Cc2c(C)nc3scc(C4CC4)n23)c2ccccc21 ZINC000459443461 823192987 /nfs/dbraw/zinc/19/29/87/823192987.db2.gz PYASEOVBUUNGIT-KRWDZBQOSA-N 1 0 380.517 4.169 20 0 GIADRO CS(=O)(=O)C1CCC([NH2+]C/C=C/c2ccc(OCc3ccccc3)cc2)CC1 ZINC000459443092 823192994 /nfs/dbraw/zinc/19/29/94/823192994.db2.gz XLVOJRSMBASAHE-VMPITWQZSA-N 1 0 399.556 4.224 20 0 GIADRO CCc1ccc([C@@H](CNC(=O)Nc2ccc(C)c(NC(C)=O)c2C)[NH+](C)C)cc1 ZINC000056691463 823194196 /nfs/dbraw/zinc/19/41/96/823194196.db2.gz YITOEGTZRUVEKV-OAQYLSRUSA-N 1 0 396.535 4.249 20 0 GIADRO CCOc1cc(C[NH2+]Cc2cc(OC)ccc2OC(F)F)cc(Cl)c1O ZINC000459448576 823194319 /nfs/dbraw/zinc/19/43/19/823194319.db2.gz WKXBNABFACTVFR-UHFFFAOYSA-N 1 0 387.810 4.344 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC000121495088 823194438 /nfs/dbraw/zinc/19/44/38/823194438.db2.gz GFNGEBKXOGUKPD-MRXNPFEDSA-N 1 0 380.822 4.233 20 0 GIADRO COCc1cc(CNC[C@@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)no1 ZINC000459449265 823194484 /nfs/dbraw/zinc/19/44/84/823194484.db2.gz TYJMRBIKTNTMPT-KXBFYZLASA-N 1 0 397.441 4.013 20 0 GIADRO CN(C(=O)c1ccc(-c2nc(C3([NH3+])CCCCC3)no2)cc1)c1ccccc1 ZINC000571514826 823194623 /nfs/dbraw/zinc/19/46/23/823194623.db2.gz MOFUUMGVNXXBSQ-UHFFFAOYSA-N 1 0 376.460 4.131 20 0 GIADRO COc1ccc(-c2ccccc2C)cc1CNC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000459449612 823194646 /nfs/dbraw/zinc/19/46/46/823194646.db2.gz SYPMSPIREQUVPY-BJKOFHAPSA-N 1 0 394.559 4.138 20 0 GIADRO Cc1ccc([C@H](OC[C@@H](O)C[NH2+][C@@H](C)Cc2ccncc2)c2ccccc2)cc1 ZINC000571515971 823194847 /nfs/dbraw/zinc/19/48/47/823194847.db2.gz FEDQLDXCBAOGGN-KSNOWIBYSA-N 1 0 390.527 4.078 20 0 GIADRO Cc1ccc([C@H](OC[C@H](O)C[NH2+][C@H](C)Cc2ccncc2)c2ccccc2)cc1 ZINC000571515972 823194859 /nfs/dbraw/zinc/19/48/59/823194859.db2.gz FEDQLDXCBAOGGN-NIJXNBFTSA-N 1 0 390.527 4.078 20 0 GIADRO COc1ccc([C@@H](OC)[C@@H](C)[NH2+]Cc2cccc(O)c2Br)cc1 ZINC000459453186 823195182 /nfs/dbraw/zinc/19/51/82/823195182.db2.gz ADAQQTSNSFXRFS-XIKOKIGWSA-N 1 0 380.282 4.029 20 0 GIADRO C(=C\c1ccc(OCc2ccccc2)cc1)\C[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000459453255 823195242 /nfs/dbraw/zinc/19/52/42/823195242.db2.gz ARCHKQXXQWVGCV-SCKBKJNLSA-N 1 0 379.500 4.207 20 0 GIADRO FC(F)(F)c1cc(Br)ccc1C[NH2+]Cc1cnc(C2CC2)nc1 ZINC000459461294 823196858 /nfs/dbraw/zinc/19/68/58/823196858.db2.gz SVRLWHNVBSAQCC-UHFFFAOYSA-N 1 0 386.215 4.425 20 0 GIADRO CC[C@H](C)n1c2ccc(NC(=O)N[C@@H]3CC[C@H](C[NH3+])C3)cc2nc1C(F)(F)F ZINC000571533465 823197049 /nfs/dbraw/zinc/19/70/49/823197049.db2.gz KXIAWQGGGZDFCB-RWMBFGLXSA-N 1 0 397.445 4.275 20 0 GIADRO Cc1nc(NC(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)sc1Cc1cccc(C)c1 ZINC000571533601 823197119 /nfs/dbraw/zinc/19/71/19/823197119.db2.gz SHHVEMHKFURROM-MOPGFXCFSA-N 1 0 398.576 4.204 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2OCC(F)(F)F)C1)CC(F)(F)F ZINC000176392246 823197302 /nfs/dbraw/zinc/19/73/02/823197302.db2.gz GHEDTIHQSGLMJD-AWEZNQCLSA-N 1 0 398.391 4.334 20 0 GIADRO CCOc1cc(C[NH2+][C@@H](CCOC)c2ccc(C)o2)cc(Br)c1O ZINC000459463595 823197563 /nfs/dbraw/zinc/19/75/63/823197563.db2.gz NYBLRLRCURADTI-HNNXBMFYSA-N 1 0 398.297 4.322 20 0 GIADRO C[C@H]([NH2+]CCCc1cnn(C)c1)c1ccc(Br)cc1C(F)(F)F ZINC000188174568 823197943 /nfs/dbraw/zinc/19/79/43/823197943.db2.gz DOLPBVSAOCZONW-NSHDSACASA-N 1 0 390.247 4.485 20 0 GIADRO COCCC[NH+]1CCC(NC(=O)C2(c3ccc(Cl)c(Cl)c3)CCC2)CC1 ZINC000176394611 823198221 /nfs/dbraw/zinc/19/82/21/823198221.db2.gz IWIRZWCWBPNUJM-UHFFFAOYSA-N 1 0 399.362 4.032 20 0 GIADRO COc1c(F)cc(NC(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1F ZINC000056717920 823198764 /nfs/dbraw/zinc/19/87/64/823198764.db2.gz AHVAUOKLWAGUHC-UHFFFAOYSA-N 1 0 389.446 4.281 20 0 GIADRO CN(C)C(=O)CC1CC[NH+](C/C=C/c2ccc(OCc3ccccc3)cc2)CC1 ZINC000459470723 823199202 /nfs/dbraw/zinc/19/92/02/823199202.db2.gz UHUYDLXDHFKGGH-RMKNXTFCSA-N 1 0 392.543 4.469 20 0 GIADRO O=C(Nc1ccc(Oc2cccc(F)c2)cc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000056719023 823199373 /nfs/dbraw/zinc/19/93/73/823199373.db2.gz JRUARAFTTDAVQG-UHFFFAOYSA-N 1 0 392.434 4.367 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)[C@H](O)Cc2cccc(C(F)(F)F)c2)c1 ZINC000188181485 823199467 /nfs/dbraw/zinc/19/94/67/823199467.db2.gz CCUQPKIGUXWFJF-LJQANCHMSA-N 1 0 394.437 4.089 20 0 GIADRO CC(=O)Nc1ccc(CC[NH2+][C@H](C)Cc2ccc(Br)cc2)cc1 ZINC000188181935 823199513 /nfs/dbraw/zinc/19/95/13/823199513.db2.gz VDSMZMPSNQNOQY-CQSZACIVSA-N 1 0 375.310 4.171 20 0 GIADRO C[C@H](Cc1ccc(Br)cc1)[NH2+]CCc1cc(F)cc2c1OCOC2 ZINC000188182936 823199825 /nfs/dbraw/zinc/19/98/25/823199825.db2.gz FRTVMCKEQHETPU-CYBMUJFWSA-N 1 0 394.284 4.218 20 0 GIADRO CS(=O)(=O)c1cccc([C@H]([NH2+]C2CC3(CCC3)C2)c2ccc(F)c(F)c2)c1 ZINC000459475010 823199990 /nfs/dbraw/zinc/19/99/90/823199990.db2.gz KIEQEYTUXYSWDM-FQEVSTJZSA-N 1 0 391.483 4.380 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ncc(-c3ccccc3F)o2)C1)CC(F)(F)F ZINC000176405647 823201384 /nfs/dbraw/zinc/20/13/84/823201384.db2.gz CZXJOMLGBMJGEQ-CQSZACIVSA-N 1 0 385.405 4.187 20 0 GIADRO COc1c(C)cnc(CN2CCC([N@H+](C)C/C=C\c3ccc(F)cc3)CC2)c1C ZINC000571569349 823201722 /nfs/dbraw/zinc/20/17/22/823201722.db2.gz ZLVRUFGIKCYIPU-WAYWQWQTSA-N 1 0 397.538 4.456 20 0 GIADRO CCN(C[C@H]1CC[N@@H+]([C@@H](C)c2nc(-c3ccccc3)no2)C1)CC(F)(F)F ZINC000176406992 823201780 /nfs/dbraw/zinc/20/17/80/823201780.db2.gz UCSSJVCOWINDCU-LSDHHAIUSA-N 1 0 382.430 4.004 20 0 GIADRO Cc1nc(-c2cccc(NC(=O)NCc3ccc(C[NH+](C)C)cc3)c2)oc1C ZINC000056730908 823201866 /nfs/dbraw/zinc/20/18/66/823201866.db2.gz WKNVCSGCUBJTBU-UHFFFAOYSA-N 1 0 378.476 4.342 20 0 GIADRO Cc1nc(-c2cccc(NC(=O)NC[C@H](Cc3ccccc3)[NH+](C)C)c2)oc1C ZINC000056730600 823201893 /nfs/dbraw/zinc/20/18/93/823201893.db2.gz GBCJKGITOWPYDI-NRFANRHFSA-N 1 0 392.503 4.253 20 0 GIADRO Cc1cc(F)ccc1-c1ccc(C[NH2+][C@@H]2CCCN(CC(F)(F)F)C2=O)o1 ZINC000121540445 823202330 /nfs/dbraw/zinc/20/23/30/823202330.db2.gz SFTWKJSVGPGVST-MRXNPFEDSA-N 1 0 384.373 4.037 20 0 GIADRO COc1ccc(-c2ccccc2C)cc1C[NH2+]C[C@@H]1CCO[C@H]1c1ccnn1C ZINC000459486673 823202655 /nfs/dbraw/zinc/20/26/55/823202655.db2.gz LAJNSQMCTCOVMK-YADARESESA-N 1 0 391.515 4.272 20 0 GIADRO Fc1cnccc1CN(Cc1ccncc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000459490877 823203292 /nfs/dbraw/zinc/20/32/92/823203292.db2.gz LMKLSSYAOUOAAN-QHCPKHFHSA-N 1 0 390.506 4.283 20 0 GIADRO Cc1ccc(-c2c[nH]cc2C(=O)NC2CC[NH+](CCc3ccccc3)CC2)s1 ZINC000188226827 823206595 /nfs/dbraw/zinc/20/65/95/823206595.db2.gz RXNYQLDZHIBNGW-UHFFFAOYSA-N 1 0 393.556 4.489 20 0 GIADRO [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)N(c3ccccc3)c3ccccc3)CC2)C1 ZINC000571582293 823203642 /nfs/dbraw/zinc/20/36/42/823203642.db2.gz PBKDETXYIKJDAQ-DENIHFKCSA-N 1 0 379.504 4.163 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1cccc(N2CCCCC2)c1)c1ccc(F)cc1 ZINC000056740493 823204452 /nfs/dbraw/zinc/20/44/52/823204452.db2.gz CSFMFHAPIXBKBV-OAQYLSRUSA-N 1 0 384.499 4.240 20 0 GIADRO C[NH+](C)CCN(C(=O)Nc1cccc(C[S@](=O)C(C)(C)C)c1)C1CCCC1 ZINC000176420072 823204554 /nfs/dbraw/zinc/20/45/54/823204554.db2.gz VENJGIAJVLKSBN-MHZLTWQESA-N 1 0 393.597 4.072 20 0 GIADRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2csc(-c3ccccc3Cl)n2)C[C@@H](C)C1 ZINC000571591316 823204661 /nfs/dbraw/zinc/20/46/61/823204661.db2.gz VSTLBFILZBIXOA-IYOUNJFTSA-N 1 0 389.952 4.266 20 0 GIADRO CSC[C@H](CCO)[NH2+][C@H](C)c1ccc(Br)cc1C(F)(F)F ZINC000188216889 823204793 /nfs/dbraw/zinc/20/47/93/823204793.db2.gz PHCYZPXIPPVJTN-KOLCDFICSA-N 1 0 386.277 4.233 20 0 GIADRO C[NH+](C)C[C@@H](NC(=O)c1ccc(CCC(F)(F)F)cc1)c1ccc(F)cc1 ZINC000571593931 823204802 /nfs/dbraw/zinc/20/48/02/823204802.db2.gz MKBGFBQJAJUFPZ-GOSISDBHSA-N 1 0 382.401 4.353 20 0 GIADRO CC[NH+](CC)CCCSc1nnc(-c2cccs2)n1C[C@H]1CCCO1 ZINC000188218016 823204844 /nfs/dbraw/zinc/20/48/44/823204844.db2.gz YQCKPIKTWBJVJJ-OAHLLOKOSA-N 1 0 380.583 4.010 20 0 GIADRO CN1CC[C@@H]([NH2+]Cc2ncc(-c3ccccc3F)o2)[C@H]1c1ccc(F)c(F)c1 ZINC000571604534 823206774 /nfs/dbraw/zinc/20/67/74/823206774.db2.gz URLPVBGKEVADDU-WIYYLYMNSA-N 1 0 387.405 4.294 20 0 GIADRO CCCOc1ccc(NC(=O)NCc2cccc(OCC[NH+](C)C)c2)c(C)c1 ZINC000056746775 823205394 /nfs/dbraw/zinc/20/53/94/823205394.db2.gz CKXLWOZHXHKXKK-UHFFFAOYSA-N 1 0 385.508 4.046 20 0 GIADRO C[C@@H](O)C[C@@H](C[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000121561777 823206086 /nfs/dbraw/zinc/20/60/86/823206086.db2.gz LIIHLULSYFRWET-NQIIRXRSSA-N 1 0 386.967 4.449 20 0 GIADRO C[NH+](C)CCN(Cc1ccccc1)C(=O)Nc1cccc(-c2nccs2)c1 ZINC000056778227 823212211 /nfs/dbraw/zinc/21/22/11/823212211.db2.gz QMUTWIDGUMDPDT-UHFFFAOYSA-N 1 0 380.517 4.406 20 0 GIADRO C[C@@H]([NH2+]CCCO[C@H]1CCOC1)c1ccc(Br)cc1C(F)(F)F ZINC000188243854 823208593 /nfs/dbraw/zinc/20/85/93/823208593.db2.gz UGVVSVWIJZHGFM-YPMHNXCESA-N 1 0 396.247 4.314 20 0 GIADRO CCOc1ccc([C@@H](COC)[NH2+]Cc2cc(Cl)c(O)c(OCC)c2)cc1 ZINC000459514804 823208623 /nfs/dbraw/zinc/20/86/23/823208623.db2.gz CJCSFBPDXWQQIH-GOSISDBHSA-N 1 0 379.884 4.320 20 0 GIADRO COc1ccc(C[NH+]2CCC([C@H]3CCCO3)CC2)cc1OCc1cccnc1 ZINC000188243677 823208601 /nfs/dbraw/zinc/20/86/01/823208601.db2.gz FUTGUEOFFHJKKP-OAQYLSRUSA-N 1 0 382.504 4.060 20 0 GIADRO COc1ccc(C[NH+]2CCC([C@@H]3CCCO3)CC2)cc1OCc1cccnc1 ZINC000188243652 823208633 /nfs/dbraw/zinc/20/86/33/823208633.db2.gz FUTGUEOFFHJKKP-NRFANRHFSA-N 1 0 382.504 4.060 20 0 GIADRO COc1ccc2c(c1)CN([C@H]1CCCN(C(C)C)C1=O)[C@H](c1ccccc1)C2 ZINC000571632486 823212235 /nfs/dbraw/zinc/21/22/35/823212235.db2.gz ZNFWCCAZSISOHM-GOTSBHOMSA-N 1 0 378.516 4.194 20 0 GIADRO Cc1cc(C[NH2+]C[C@H](c2ccc(Cl)cc2)N(C)CCC(F)(F)F)no1 ZINC000459514937 823208928 /nfs/dbraw/zinc/20/89/28/823208928.db2.gz CPGJWMPRYQBHGB-MRXNPFEDSA-N 1 0 375.822 4.352 20 0 GIADRO C[C@@H](c1ccc2ccccc2c1)N(C(=O)NCCCC[NH+]1CCOCC1)C1CC1 ZINC000121582273 823210538 /nfs/dbraw/zinc/21/05/38/823210538.db2.gz HRRHQGDJNXYKKB-IBGZPJMESA-N 1 0 395.547 4.187 20 0 GIADRO COc1cc(C[NH+]2CCC([C@@H]3CCCO3)CC2)ccc1OCc1ccncc1 ZINC000188260394 823210611 /nfs/dbraw/zinc/21/06/11/823210611.db2.gz JPWGHLFPWZHKRN-NRFANRHFSA-N 1 0 382.504 4.060 20 0 GIADRO O=C(N[C@@H]1CCSc2ccc(Cl)cc21)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000121582435 823210797 /nfs/dbraw/zinc/21/07/97/823210797.db2.gz RPAJUYNOOBOKRH-DOTOQJQBSA-N 1 0 379.957 4.147 20 0 GIADRO CCOCCOc1ccc(Cl)cc1NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000176455741 823211373 /nfs/dbraw/zinc/21/13/73/823211373.db2.gz PGPFVIFFPBUITK-INIZCTEOSA-N 1 0 394.943 4.348 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)NC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000121586005 823211413 /nfs/dbraw/zinc/21/14/13/823211413.db2.gz DJOUWIYUDGTUQR-RBUKOAKNSA-N 1 0 397.567 4.053 20 0 GIADRO CCC[NH+]1CCC(CNC(=O)N2CCC(c3nc4cccc(C)c4o3)CC2)CC1 ZINC000188268940 823211809 /nfs/dbraw/zinc/21/18/09/823211809.db2.gz BBGIKXXKQHPQIH-UHFFFAOYSA-N 1 0 398.551 4.147 20 0 GIADRO Cc1cccn2c(=O)cc(C[NH2+][C@@H](C)c3ccc(Oc4cccnc4)cc3)nc12 ZINC000571679525 823217850 /nfs/dbraw/zinc/21/78/50/823217850.db2.gz RXVXAGJYRBLISN-KRWDZBQOSA-N 1 0 386.455 4.041 20 0 GIADRO C[C@@H]1CCC[C@@H](OCC(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)C1 ZINC000571638468 823213184 /nfs/dbraw/zinc/21/31/84/823213184.db2.gz VOQWILBRRHHJAE-CRAIPNDOSA-N 1 0 394.943 4.347 20 0 GIADRO Cc1cccc(Cl)c1NC(=O)C[NH2+][C@H](c1ccccc1)C1(CO)CCCC1 ZINC000459533206 823213564 /nfs/dbraw/zinc/21/35/64/823213564.db2.gz FGHCBEHDZMGVFE-OAQYLSRUSA-N 1 0 386.923 4.471 20 0 GIADRO CC(C)(C)C(=O)N1CCC(C[NH2+][C@H](c2ccccc2)C2(CO)CCCC2)CC1 ZINC000459534403 823213950 /nfs/dbraw/zinc/21/39/50/823213950.db2.gz FUYCDFIGSBZNOJ-OAQYLSRUSA-N 1 0 386.580 4.155 20 0 GIADRO O=C(N[C@H](c1cccc(Cl)c1)c1ccccn1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000121623699 823217986 /nfs/dbraw/zinc/21/79/86/823217986.db2.gz WXUAOQDUMYQBOR-TZIWHRDSSA-N 1 0 398.938 4.094 20 0 GIADRO CCOc1cc(C[NH2+][C@H]2CCCc3c(O)cccc32)cc(Br)c1O ZINC000459536172 823214455 /nfs/dbraw/zinc/21/44/55/823214455.db2.gz YFAGSFUZXNLEOY-INIZCTEOSA-N 1 0 392.293 4.426 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)C[C@H](O)c1cccs1)c1ccsc1 ZINC000121623626 823218052 /nfs/dbraw/zinc/21/80/52/823218052.db2.gz FOCXAEHWPAXZQC-UAGQMJEPSA-N 1 0 395.594 4.004 20 0 GIADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)o1 ZINC000056795696 823215145 /nfs/dbraw/zinc/21/51/45/823215145.db2.gz LGHRDXCKHDTSJK-HNNXBMFYSA-N 1 0 397.441 4.441 20 0 GIADRO Oc1cccc(C[N@@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)c1Br ZINC000459539554 823215542 /nfs/dbraw/zinc/21/55/42/823215542.db2.gz WEWBFOXXKDSJRJ-HNNXBMFYSA-N 1 0 390.325 4.067 20 0 GIADRO CC(C)Cc1ncc(C[N@H+](CCC(=O)OC(C)(C)C)C2CCOCC2)s1 ZINC000571682853 823218187 /nfs/dbraw/zinc/21/81/87/823218187.db2.gz YWEUFKLFDQZNCH-UHFFFAOYSA-N 1 0 382.570 4.054 20 0 GIADRO CCCC[N@H+](C)C[C@H](C)NC(=O)C(C)(C)c1csc(-c2ccccc2F)n1 ZINC000571666134 823216463 /nfs/dbraw/zinc/21/64/63/823216463.db2.gz RXEAAPZWKOPHOD-HNNXBMFYSA-N 1 0 391.556 4.463 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1C[N@H+](C)CCc1nc(-c2ccccc2)no1 ZINC000459545394 823217014 /nfs/dbraw/zinc/21/70/14/823217014.db2.gz LBPMNYAILTUEJM-UHFFFAOYSA-N 1 0 393.516 4.306 20 0 GIADRO COc1cc(SC)ccc1NC(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000459545869 823217084 /nfs/dbraw/zinc/21/70/84/823217084.db2.gz SPJAUWSHJQEYRG-UHFFFAOYSA-N 1 0 379.551 4.074 20 0 GIADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459547950 823217495 /nfs/dbraw/zinc/21/74/95/823217495.db2.gz PNFGNCQMPAHXNQ-WIYYLYMNSA-N 1 0 379.552 4.119 20 0 GIADRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@H](C)c3cnn(-c4cc(C)ccc4C)c3C)[C@H]2C1 ZINC000571678884 823217644 /nfs/dbraw/zinc/21/76/44/823217644.db2.gz BAFDQXBKVFJYBH-BHVFFLMSSA-N 1 0 394.563 4.095 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1ccc(Br)cc1C(F)(F)F ZINC000188308505 823217648 /nfs/dbraw/zinc/21/76/48/823217648.db2.gz VAOUYRUZSDACMZ-BXKDBHETSA-N 1 0 388.231 4.399 20 0 GIADRO CN(Cc1nc2ccccc2s1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176490221 823219611 /nfs/dbraw/zinc/21/96/11/823219611.db2.gz SHTLPJAUOYTFOG-UHFFFAOYSA-N 1 0 386.565 4.235 20 0 GIADRO CC[C@@]1(C[NH2+][C@H](C)c2ccc(NC(C)=O)cc2OC)OCCc2ccccc21 ZINC000571694735 823220093 /nfs/dbraw/zinc/22/00/93/823220093.db2.gz MHQNBOJZICWUKR-MWTRTKDXSA-N 1 0 382.504 4.182 20 0 GIADRO Cc1ccc([C@@H](C)NC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)cc1F ZINC000176492263 823220139 /nfs/dbraw/zinc/22/01/39/823220139.db2.gz HDFMDBKRNDWPIG-QGZVFWFLSA-N 1 0 384.499 4.077 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(OCC2CC2)c(F)c1)c1cccc(-n2cnnn2)c1 ZINC000121638760 823220519 /nfs/dbraw/zinc/22/05/19/823220519.db2.gz AATGAFIEMFVNRY-CABCVRRESA-N 1 0 381.455 4.002 20 0 GIADRO C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)C1CC1 ZINC000121638683 823220618 /nfs/dbraw/zinc/22/06/18/823220618.db2.gz SVGPJWJDLUYMNS-HUUCEWRRSA-N 1 0 395.469 4.425 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1CCC[C@H]1c1cccc(F)c1 ZINC000056848182 823223083 /nfs/dbraw/zinc/22/30/83/823223083.db2.gz PYWIMADJRZYBMB-QFIPXVFZSA-N 1 0 381.495 4.468 20 0 GIADRO Cc1nc(C)c([C@H](C)N(C)C(=O)NC2CC[NH+](C3CCCCC3)CC2)s1 ZINC000176496216 823221037 /nfs/dbraw/zinc/22/10/37/823221037.db2.gz ZIAREQGJQWSBJV-HNNXBMFYSA-N 1 0 378.586 4.259 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cnc3onc(C(C)(C)C)c3c2)C1 ZINC000409453926 823222556 /nfs/dbraw/zinc/22/25/56/823222556.db2.gz BRZNHOATPOVSNL-QAPCUYQASA-N 1 0 392.503 4.086 20 0 GIADRO C[N@@H+]1CCC[C@H](CCNC(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)C1 ZINC000459552616 823218783 /nfs/dbraw/zinc/21/87/83/823218783.db2.gz WDGBTBVRMPIOJA-GFCCVEGCSA-N 1 0 393.837 4.135 20 0 GIADRO CCOc1cc(CN(Cc2ccco2)C2CC[NH+](C)CC2)cc(Cl)c1O ZINC000459552489 823218875 /nfs/dbraw/zinc/21/88/75/823218875.db2.gz UKKHURRFKPRFEE-UHFFFAOYSA-N 1 0 378.900 4.134 20 0 GIADRO COc1ccc(CCCN(C)C(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000176487124 823219071 /nfs/dbraw/zinc/21/90/71/823219071.db2.gz QWHUNBILYLXHPB-UHFFFAOYSA-N 1 0 387.568 4.066 20 0 GIADRO CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+]2CC3(CCCC3)[C@H]2c2ccccc2)cc1 ZINC000459574219 823223591 /nfs/dbraw/zinc/22/35/91/823223591.db2.gz RYTIZLDBOZADOJ-FYYLOGMGSA-N 1 0 394.515 4.002 20 0 GIADRO CC[NH+](CC)CCN(C(=O)c1cccnc1C)c1cccc(Br)c1 ZINC000409458156 823223612 /nfs/dbraw/zinc/22/36/12/823223612.db2.gz CVQTYNHSCGMDLL-UHFFFAOYSA-N 1 0 390.325 4.141 20 0 GIADRO COc1ccc(C)cc1NC(=O)[C@@H]([NH2+]CCOc1ccccc1)c1ccccc1 ZINC000056851672 823223768 /nfs/dbraw/zinc/22/37/68/823223768.db2.gz SDQOZISNTSKICL-QHCPKHFHSA-N 1 0 390.483 4.352 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)c1c(F)cccc1SC ZINC000409461247 823224622 /nfs/dbraw/zinc/22/46/22/823224622.db2.gz OVZZKDSXLGUAPO-UHFFFAOYSA-N 1 0 390.524 4.198 20 0 GIADRO COc1ccc(C[N@@H+]2CC[C@@H](n3ncc4ccccc43)C2)c(Br)c1 ZINC000571721004 823224930 /nfs/dbraw/zinc/22/49/30/823224930.db2.gz BEEHCTKPJPUWPV-MRXNPFEDSA-N 1 0 386.293 4.254 20 0 GIADRO Fc1ccc([C@@H](Nc2cccc(C[NH+]3CCSCC3)c2)c2ncc[nH]2)cc1 ZINC000188357412 823225198 /nfs/dbraw/zinc/22/51/98/823225198.db2.gz FIUQNJOZPRRVHK-HXUWFJFHSA-N 1 0 382.508 4.299 20 0 GIADRO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]Cc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1 ZINC000571725072 823225384 /nfs/dbraw/zinc/22/53/84/823225384.db2.gz TWYXVBIAWJYOKN-HQRMLTQVSA-N 1 0 383.536 4.360 20 0 GIADRO CCOc1cc(C[NH2+][C@H](c2ccccc2)C2(CO)CCC2)cc(Cl)c1O ZINC000459585630 823225450 /nfs/dbraw/zinc/22/54/50/823225450.db2.gz IQFUBDYUAXSKTB-HXUWFJFHSA-N 1 0 375.896 4.438 20 0 GIADRO CC(C)Oc1ccccc1[C@H](C)NC(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000056867044 823225559 /nfs/dbraw/zinc/22/55/59/823225559.db2.gz XEEYGTFFTSPXMY-SFHVURJKSA-N 1 0 375.557 4.297 20 0 GIADRO C[C@@H](NC(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1cc2ccccc2o1 ZINC000188359040 823225583 /nfs/dbraw/zinc/22/55/83/823225583.db2.gz HGGRFOOALZMLLC-FGTMMUONSA-N 1 0 399.535 4.025 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000056868815 823225945 /nfs/dbraw/zinc/22/59/45/823225945.db2.gz IBCINCAEWLATGL-PXNSSMCTSA-N 1 0 393.959 4.078 20 0 GIADRO CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2C[NH+]2CC(CCO)C2)cc1 ZINC000459588630 823225973 /nfs/dbraw/zinc/22/59/73/823225973.db2.gz HLJMDCQYBYIFEF-UHFFFAOYSA-N 1 0 391.515 4.141 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc(OCC2CC2)c(F)c1)c1ccc(-n2cnnn2)cc1 ZINC000121667465 823226111 /nfs/dbraw/zinc/22/61/11/823226111.db2.gz VSGLZCZBKXJVPZ-GJZGRUSLSA-N 1 0 381.455 4.002 20 0 GIADRO CC1CC[NH+](CCCCNC(=O)C(C)(C)c2ccccc2Br)CC1 ZINC000409466194 823226742 /nfs/dbraw/zinc/22/67/42/823226742.db2.gz YCFIKQXMVUROTF-UHFFFAOYSA-N 1 0 395.385 4.355 20 0 GIADRO CCCc1occc1C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000409466824 823226806 /nfs/dbraw/zinc/22/68/06/823226806.db2.gz WEZWVZMWKLPXMO-UHFFFAOYSA-N 1 0 383.492 4.299 20 0 GIADRO COc1ccc(-c2csc(CNC(=O)N(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)c2)cc1 ZINC000176517641 823227154 /nfs/dbraw/zinc/22/71/54/823227154.db2.gz XMKMTSNZQDNGBC-CRAIPNDOSA-N 1 0 387.549 4.048 20 0 GIADRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1[nH]c2ccc(F)cc2c1Cl ZINC000056885604 823227710 /nfs/dbraw/zinc/22/77/10/823227710.db2.gz ZUZQXRHVUZSZGD-UHFFFAOYSA-N 1 0 385.870 4.139 20 0 GIADRO CCN(C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)c1ccc(OC)c(OC)c1 ZINC000459611313 823229138 /nfs/dbraw/zinc/22/91/38/823229138.db2.gz CRPMRBBKPWNMAJ-IBGZPJMESA-N 1 0 383.492 4.311 20 0 GIADRO F[C@H](C(F)(F)F)C(F)(F)Oc1ccc(C[NH+]2CC3(C2)CCOCC3)cc1 ZINC000459611371 823229552 /nfs/dbraw/zinc/22/95/52/823229552.db2.gz CWHQCMXDMQIQBZ-CQSZACIVSA-N 1 0 383.332 4.171 20 0 GIADRO CC(C)(O)C1C[NH+](Cc2cn(-c3ccccc3)nc2-c2cccc(Cl)c2)C1 ZINC000459616026 823230181 /nfs/dbraw/zinc/23/01/81/823230181.db2.gz XOXVGNDMLHHTFF-UHFFFAOYSA-N 1 0 381.907 4.395 20 0 GIADRO CC[C@H](C)Sc1ccc(NC(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)c(C)c1 ZINC000190159123 823544266 /nfs/dbraw/zinc/54/42/66/823544266.db2.gz IFPPIFSDANATKS-IRXDYDNUSA-N 1 0 393.597 4.195 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)N(Cc1ccco1)Cc1ccccc1)c1ccc(F)cc1 ZINC000056937823 823233039 /nfs/dbraw/zinc/23/30/39/823233039.db2.gz PZNWBCLWVKWYDK-QFIPXVFZSA-N 1 0 395.478 4.433 20 0 GIADRO C[C@H]([NH2+]CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)c1cncc(F)c1 ZINC000459624124 823231683 /nfs/dbraw/zinc/23/16/83/823231683.db2.gz ULMANZDRTZFGFJ-NYHFZMIOSA-N 1 0 395.503 4.107 20 0 GIADRO Brc1ccc(-c2ncc(C[NH+]3CC4(C3)CCOCC4)s2)cc1 ZINC000459625403 823232024 /nfs/dbraw/zinc/23/20/24/823232024.db2.gz VDHCPQFJBKROTI-UHFFFAOYSA-N 1 0 379.323 4.185 20 0 GIADRO C[C@H]([NH2+]CC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1)c1cncc(F)c1 ZINC000459625737 823232088 /nfs/dbraw/zinc/23/20/88/823232088.db2.gz YHVZIEAYWMNDDZ-GAJHUEQPSA-N 1 0 389.474 4.046 20 0 GIADRO CC(C)CC[NH+]1CCC(CNC(=O)c2c(F)cccc2Br)CC1 ZINC000176542866 823233187 /nfs/dbraw/zinc/23/31/87/823233187.db2.gz DMXPRBYZFXQTRE-UHFFFAOYSA-N 1 0 385.321 4.076 20 0 GIADRO CC[C@H](NC(=O)N(CC[NH+](C)C)Cc1cccs1)c1cc(F)ccc1F ZINC000176543330 823233596 /nfs/dbraw/zinc/23/35/96/823233596.db2.gz PNJIKVLTDOXLTN-SFHVURJKSA-N 1 0 381.492 4.251 20 0 GIADRO CC(C)N(C)c1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)cn1 ZINC000459646141 823237390 /nfs/dbraw/zinc/23/73/90/823237390.db2.gz ICYGSMNQQUTUIK-KRWDZBQOSA-N 1 0 385.474 4.107 20 0 GIADRO FC(F)(F)[C@@H]1CC[N@H+](Cc2ccc(-n3ccnc3)cc2)CC12CCOCC2 ZINC000459636856 823234911 /nfs/dbraw/zinc/23/49/11/823234911.db2.gz AYDRWBKZEPHANQ-GOSISDBHSA-N 1 0 379.426 4.053 20 0 GIADRO C[C@@H](CCCc1cccnc1)[NH2+]Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000459646451 823237861 /nfs/dbraw/zinc/23/78/61/823237861.db2.gz IGMUZRKICSPGRE-AWEZNQCLSA-N 1 0 376.426 4.488 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1)c1nc2c(s1)CCC2 ZINC000459640024 823235648 /nfs/dbraw/zinc/23/56/48/823235648.db2.gz WVRNAMVGZQDTQT-XEZPLFJOSA-N 1 0 380.941 4.075 20 0 GIADRO O=C(CCC(F)(F)F)N1CCC[C@@H]([NH2+]Cc2cccc(OC3CCCC3)c2)C1 ZINC000571798300 823235885 /nfs/dbraw/zinc/23/58/85/823235885.db2.gz YOGUCRDBNSOUNH-QGZVFWFLSA-N 1 0 398.469 4.431 20 0 GIADRO COc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c(C)c1OC ZINC000459642312 823235947 /nfs/dbraw/zinc/23/59/47/823235947.db2.gz BKWHXUKGYBLQAK-KRWDZBQOSA-N 1 0 387.442 4.193 20 0 GIADRO C[C@@H](CCCc1cccnc1)[NH2+][C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000459644630 823236694 /nfs/dbraw/zinc/23/66/94/823236694.db2.gz FNJXVSYICPOHRF-ROUUACIJSA-N 1 0 387.955 4.473 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)CC1 ZINC000056985846 823237837 /nfs/dbraw/zinc/23/78/37/823237837.db2.gz QIZBYLKOQXRBIZ-UHFFFAOYSA-N 1 0 395.334 4.126 20 0 GIADRO CCN(CC)c1ncc(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)s1 ZINC000459645429 823237129 /nfs/dbraw/zinc/23/71/29/823237129.db2.gz GOUQUFXPAWPPSQ-OAHLLOKOSA-N 1 0 391.503 4.170 20 0 GIADRO C[C@H]([NH2+][C@H]1CCC[C@@H](N2CCCC2=O)C1)c1ccc(Oc2ccccc2)cn1 ZINC000571778946 823233217 /nfs/dbraw/zinc/23/32/17/823233217.db2.gz ZYVWVBOHOXNXPK-GBESFXJTSA-N 1 0 379.504 4.458 20 0 GIADRO C[C@H](CCCc1cccnc1)[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000459648677 823238312 /nfs/dbraw/zinc/23/83/12/823238312.db2.gz VAZOVZRZIAHCON-RHSMWYFYSA-N 1 0 383.319 4.129 20 0 GIADRO C[C@@H](Sc1ccnc2cc(Cl)ccc21)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000176587145 823242420 /nfs/dbraw/zinc/24/24/20/823242420.db2.gz YOCJRWPZLUQGJS-CABCVRRESA-N 1 0 391.968 4.169 20 0 GIADRO C[C@H](CCCc1cccnc1)[NH2+][C@@H](C)C(=O)Nc1ccc(Br)cc1 ZINC000459649853 823238878 /nfs/dbraw/zinc/23/88/78/823238878.db2.gz WHTPZMWVYWNFIK-CABCVRRESA-N 1 0 390.325 4.172 20 0 GIADRO Cc1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459651205 823239364 /nfs/dbraw/zinc/23/93/64/823239364.db2.gz OVIAKXPNSDZFIA-IBGZPJMESA-N 1 0 393.453 4.362 20 0 GIADRO COc1cc2c(N[C@@H](Cn3ccccc3=O)c3ccccc3)cc[nH+]c2cc1F ZINC000409519595 823239786 /nfs/dbraw/zinc/23/97/86/823239786.db2.gz HRHFOMCNSGMQBG-NRFANRHFSA-N 1 0 389.430 4.398 20 0 GIADRO Cc1nc2cc(C(=O)N3CCC[N@@H+](C(C)C)CC3)ccc2n1Cc1ccsc1 ZINC000409521647 823240480 /nfs/dbraw/zinc/24/04/80/823240480.db2.gz MYMWTOJEQGESFF-UHFFFAOYSA-N 1 0 396.560 4.011 20 0 GIADRO CC[C@H](C)[NH2+][C@H](CNC(=O)c1cnn(-c2cc(C)ccc2C)c1C)c1ccco1 ZINC000571832464 823241475 /nfs/dbraw/zinc/24/14/75/823241475.db2.gz QVPLQZLPWDYHOQ-FXAWDEMLSA-N 1 0 394.519 4.250 20 0 GIADRO C[C@H](CNC(=O)N1CCC[C@@H]1c1nc2ccccc2s1)C[NH+]1CCCCC1 ZINC000057040486 823242205 /nfs/dbraw/zinc/24/22/05/823242205.db2.gz GWZOLSSXZKGVIO-SJLPKXTDSA-N 1 0 386.565 4.265 20 0 GIADRO OC[C@]1(Cc2ccc(F)cc2)CC[N@H+](Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000571841255 823243414 /nfs/dbraw/zinc/24/34/14/823243414.db2.gz HTSLQNPLDWHEMZ-IBGZPJMESA-N 1 0 385.376 4.411 20 0 GIADRO Cc1oc(-c2ccccc2)c(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)c1C ZINC000188464044 823244540 /nfs/dbraw/zinc/24/45/40/823244540.db2.gz GXHZBPQJYNOMRS-UHFFFAOYSA-N 1 0 389.499 4.353 20 0 GIADRO FC(F)Oc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)cc1 ZINC000459664091 823244965 /nfs/dbraw/zinc/24/49/65/823244965.db2.gz PMBOXQMHYXEBTM-OAHLLOKOSA-N 1 0 379.369 4.469 20 0 GIADRO COc1cc(C[NH2+]Cc2ccc(C)c(C)n2)ccc1OCc1c(C)noc1C ZINC000459665330 823245305 /nfs/dbraw/zinc/24/53/05/823245305.db2.gz KOHDDXLRSDQOIH-UHFFFAOYSA-N 1 0 381.476 4.181 20 0 GIADRO C[C@H](NC(=O)N1CCC[C@H]1C[NH+]1CCCC1)c1ccc(-c2cccnc2)cc1 ZINC000176607564 823247594 /nfs/dbraw/zinc/24/75/94/823247594.db2.gz MLEJJKTUCDPMOL-AVRDEDQJSA-N 1 0 378.520 4.079 20 0 GIADRO Clc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)cc1 ZINC000121775550 823247780 /nfs/dbraw/zinc/24/77/80/823247780.db2.gz OCOOBOVIEWHFQK-INIZCTEOSA-N 1 0 392.894 4.152 20 0 GIADRO Cc1ccc(C[NH2+][C@@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)nc1C ZINC000459670384 823247131 /nfs/dbraw/zinc/24/71/31/823247131.db2.gz OPOUWZFVAIILIC-ZDUSSCGKSA-N 1 0 381.398 4.104 20 0 GIADRO CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000571880096 823249098 /nfs/dbraw/zinc/24/90/98/823249098.db2.gz ODZCPGJZXCVHQG-QGZVFWFLSA-N 1 0 382.470 4.265 20 0 GIADRO C[C@@H](C[NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl)c1ccc(S(C)(=O)=O)cc1 ZINC000459696104 823252451 /nfs/dbraw/zinc/25/24/51/823252451.db2.gz HGFUDAURJPBJPQ-WBHUJUFNSA-N 1 0 381.900 4.132 20 0 GIADRO CC1(C)CC(NC(=O)c2ccccc2NC(=O)c2cccs2)CC(C)(C)[NH2+]1 ZINC000121792210 823252476 /nfs/dbraw/zinc/25/24/76/823252476.db2.gz DRZJVRZTBAAXER-UHFFFAOYSA-N 1 0 385.533 4.039 20 0 GIADRO C[C@@H]([NH2+][C@H]1c2sccc2OC(C)(C)[C@@H]1O)c1ccc(Br)cc1 ZINC000459682010 823249721 /nfs/dbraw/zinc/24/97/21/823249721.db2.gz DVMKHGZNTIMDOR-FUEDEBDSSA-N 1 0 382.323 4.434 20 0 GIADRO CC(C)[C@H]1C[C@H](CC(=O)Nc2nc3c(s2)C[N@@H+](C(C)(C)C)CC3)CCO1 ZINC000571910538 823252824 /nfs/dbraw/zinc/25/28/24/823252824.db2.gz GKCCMVFKJZGHDY-GDBMZVCRSA-N 1 0 379.570 4.080 20 0 GIADRO Cc1cc(C[NH+]2CCC(NC(=O)c3ccsc3)CC2)c(O)c(C(C)(C)C)c1 ZINC000057106783 823250180 /nfs/dbraw/zinc/25/01/80/823250180.db2.gz LDBLNUOXXAQGAX-UHFFFAOYSA-N 1 0 386.561 4.454 20 0 GIADRO CC(C)(C[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)N1CCCCC1 ZINC000409575127 823252623 /nfs/dbraw/zinc/25/26/23/823252623.db2.gz IGHAHERJWMMXRS-UHFFFAOYSA-N 1 0 380.458 4.245 20 0 GIADRO Cc1nn(-c2ccccn2)c(C)c1C[NH2+][C@@H]1CCCN(c2ccc(F)cc2C)C1 ZINC000571898588 823250913 /nfs/dbraw/zinc/25/09/13/823250913.db2.gz OYMPBGHAATXDSB-HXUWFJFHSA-N 1 0 393.510 4.090 20 0 GIADRO CCc1ccc(Cl)c(CC)c1NC(=O)CCC[NH2+]C1(CO)CCSCC1 ZINC000459687688 823250999 /nfs/dbraw/zinc/25/09/99/823250999.db2.gz BJCXYXBYEUYDIS-UHFFFAOYSA-N 1 0 399.000 4.031 20 0 GIADRO COc1cc(NC(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)cc(OC)c1Cl ZINC000459692688 823251819 /nfs/dbraw/zinc/25/18/19/823251819.db2.gz FHFSBODPQXWXSF-ORAYPTAESA-N 1 0 391.899 4.170 20 0 GIADRO C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)c1ccc(C(F)(F)F)cc1 ZINC000409573750 823252253 /nfs/dbraw/zinc/25/22/53/823252253.db2.gz GNNAXKOMWYUXLW-BEFAXECRSA-N 1 0 378.438 4.098 20 0 GIADRO COc1cc(C[NH2+]C2CCC(C(F)F)CC2)cc(OC)c1OCC(F)F ZINC000459702877 823253481 /nfs/dbraw/zinc/25/34/81/823253481.db2.gz DFLKCZJOJJXFSF-UHFFFAOYSA-N 1 0 379.394 4.261 20 0 GIADRO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]CC(C)(C)N1CCCCC1 ZINC000409579658 823253906 /nfs/dbraw/zinc/25/39/06/823253906.db2.gz GZQZBIFTUZYLHR-UHFFFAOYSA-N 1 0 376.495 4.121 20 0 GIADRO C[C@H](C[NH2+]CC1(Cc2cccc(Cl)c2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000459709438 823254875 /nfs/dbraw/zinc/25/48/75/823254875.db2.gz KVAAOOXERYTNCK-MRXNPFEDSA-N 1 0 391.964 4.460 20 0 GIADRO C[C@H](NC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)[C@H]1CC2CCC1CC2 ZINC000571927522 823255311 /nfs/dbraw/zinc/25/53/11/823255311.db2.gz YWIUBOUNMQGYND-BCWMXOPMSA-N 1 0 384.568 4.121 20 0 GIADRO CC(C)(C)CC(=O)N1CCC([NH2+]C[C@@]2(C)CCCN2Cc2ccccc2)CC1 ZINC000121807932 823255436 /nfs/dbraw/zinc/25/54/36/823255436.db2.gz GQJQETVWYNWJDQ-XMMPIXPASA-N 1 0 385.596 4.058 20 0 GIADRO CC(C)c1[nH+]c(CNc2ccc(NC(=O)[C@H]3CCCO3)cc2)c2ccccn21 ZINC000571928298 823255575 /nfs/dbraw/zinc/25/55/75/823255575.db2.gz FAYFNFDDRQIINX-HXUWFJFHSA-N 1 0 378.476 4.187 20 0 GIADRO CC(C)[C@@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)Nc1ccccc1 ZINC000057154190 823256128 /nfs/dbraw/zinc/25/61/28/823256128.db2.gz SQNALJOBZGPFRM-HSZRJFAPSA-N 1 0 379.548 4.152 20 0 GIADRO COC1(C)CC[NH+](CC(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)CC1 ZINC000571935276 823256886 /nfs/dbraw/zinc/25/68/86/823256886.db2.gz KXIDIFLPSHBPML-OAQYLSRUSA-N 1 0 386.923 4.047 20 0 GIADRO O=C(Nc1ccc(-c2ccc(Cl)cc2Cl)nc1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000571935980 823257294 /nfs/dbraw/zinc/25/72/94/823257294.db2.gz RLRDJZWPSADVTI-LJQANCHMSA-N 1 0 391.302 4.273 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)N[C@H](CC(F)(F)F)c1ccccc1)c1ccsc1 ZINC000057130594 823252890 /nfs/dbraw/zinc/25/28/90/823252890.db2.gz NFWOFHAUMHGZMV-HZPDHXFCSA-N 1 0 385.455 4.344 20 0 GIADRO Cc1ccc(NC(=O)C(C)C)cc1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000057171668 823258690 /nfs/dbraw/zinc/25/86/90/823258690.db2.gz IMWFEGXNHYAAIA-UHFFFAOYSA-N 1 0 393.531 4.440 20 0 GIADRO FC(F)(F)c1ccc(-c2n[nH]cc2C[N@@H+]2CC3(CCC3)[C@@H]3COC[C@@H]32)cc1 ZINC000459741502 823259051 /nfs/dbraw/zinc/25/90/51/823259051.db2.gz YJGXOGRBOWHNKV-SJORKVTESA-N 1 0 377.410 4.096 20 0 GIADRO CC[NH+](CC)CCOC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12 ZINC000002026616 817380094 /nfs/dbraw/zinc/38/00/94/817380094.db2.gz QHRYTBYGNCJPSS-UHFFFAOYSA-N 1 0 379.456 4.267 20 0 GIADRO CN(c1ccccc1)C1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000057175245 823259256 /nfs/dbraw/zinc/25/92/56/823259256.db2.gz VFUWLBFOEIPHMY-JOCHJYFZSA-N 1 0 391.559 4.026 20 0 GIADRO Cc1cccc(C(=O)N[C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)c1Cl ZINC000121832873 823259566 /nfs/dbraw/zinc/25/95/66/823259566.db2.gz HEMJMAZOWBLXMP-GOSISDBHSA-N 1 0 384.907 4.366 20 0 GIADRO CC(C)[NH2+]C1CCN(C(=O)NC[C@@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000176659222 823259931 /nfs/dbraw/zinc/25/99/31/823259931.db2.gz PBHVDZLNXXFZBA-JOCHJYFZSA-N 1 0 379.548 4.185 20 0 GIADRO Clc1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CCO[C@H]1c1cncc(Br)c1)C2 ZINC000459757854 823261257 /nfs/dbraw/zinc/26/12/57/823261257.db2.gz HRAHGWIKRRIQIP-KSZLIROESA-N 1 0 393.712 4.085 20 0 GIADRO Fc1ccccc1C1CC([NH2+][C@@H]2CCO[C@H]2c2cncc(Br)c2)C1 ZINC000459760216 823261531 /nfs/dbraw/zinc/26/15/31/823261531.db2.gz JXAIEFKNMLBRRW-CIAXLFFOSA-N 1 0 391.284 4.349 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCO[C@H]1c1cncc(Br)c1)[C@@H](C)c1ccccc1 ZINC000459775307 823263468 /nfs/dbraw/zinc/26/34/68/823263468.db2.gz XFRFTBYYMWHBRC-OHHBCXFOSA-N 1 0 375.310 4.456 20 0 GIADRO Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(NC(=O)C3CCCC3)c2)C1 ZINC000571969769 823262808 /nfs/dbraw/zinc/26/28/08/823262808.db2.gz PRSCBFWNLPINOI-WOJBJXKFSA-N 1 0 380.536 4.365 20 0 GIADRO CC[C@@H](C[NH2+][C@@H]1CCO[C@H]1c1cncc(Br)c1)c1ccccc1 ZINC000459776980 823263793 /nfs/dbraw/zinc/26/37/93/823263793.db2.gz YIQCGGKMQAIKFR-KYNGSXCRSA-N 1 0 375.310 4.458 20 0 GIADRO CO[C@@H]1C[C@H]([NH2+]Cc2ncc(-c3ccc(Br)cc3)o2)C12CCC2 ZINC000459776538 823263862 /nfs/dbraw/zinc/26/38/62/823263862.db2.gz VQOZFXGWQIDZEQ-JKSUJKDBSA-N 1 0 377.282 4.151 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)C2(c3cccc(F)c3)CCOCC2)c1 ZINC000057206668 823264444 /nfs/dbraw/zinc/26/44/44/823264444.db2.gz SAQTWZROUVXXCY-UHFFFAOYSA-N 1 0 384.495 4.354 20 0 GIADRO C[C@H](C[N@H+](C)CCC(=O)Nc1c(Cl)cccc1Cl)C(=O)OC(C)(C)C ZINC000459786962 823265114 /nfs/dbraw/zinc/26/51/14/823265114.db2.gz BUZYPTOPSPXWPB-GFCCVEGCSA-N 1 0 389.323 4.232 20 0 GIADRO CCc1ccc(Cl)c(CC)c1NC(=O)CCC[NH2+][C@H](C)c1ccn(C)n1 ZINC000459802770 823266292 /nfs/dbraw/zinc/26/62/92/823266292.db2.gz YXPUGIGDWSDQFP-CQSZACIVSA-N 1 0 376.932 4.268 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NC[C@@H]1CCCC(F)(F)C1 ZINC000409629651 823266809 /nfs/dbraw/zinc/26/68/09/823266809.db2.gz HJTQHGGDHHIITP-PKOBYXMFSA-N 1 0 379.495 4.118 20 0 GIADRO Cc1ccc(Oc2ccccc2)c(NC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)c1 ZINC000571992077 823266878 /nfs/dbraw/zinc/26/68/78/823266878.db2.gz YCFHIZPGEDPRME-SFHVURJKSA-N 1 0 376.460 4.161 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)NCC2CCSCC2)CC1 ZINC000571994908 823267206 /nfs/dbraw/zinc/26/72/06/823267206.db2.gz RMFJFJHQUYPFJX-UHFFFAOYSA-N 1 0 397.972 4.078 20 0 GIADRO Cc1oc(NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nc1C1CC1 ZINC000571994588 823267316 /nfs/dbraw/zinc/26/73/16/823267316.db2.gz HKWKWUHZYCWNNX-DNVCBOLYSA-N 1 0 382.508 4.377 20 0 GIADRO CC(C)[NH+](CCCNC(=O)Nc1cccc(-c2noc(C3CC3)n2)c1)C(C)C ZINC000176685930 823267775 /nfs/dbraw/zinc/26/77/75/823267775.db2.gz BEMSEJPXADOHFT-UHFFFAOYSA-N 1 0 385.512 4.244 20 0 GIADRO CC(C)OCC[NH+]1CCC(NC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000176687453 823267995 /nfs/dbraw/zinc/26/79/95/823267995.db2.gz GYZRRMAHGZWZJG-IRXDYDNUSA-N 1 0 399.362 4.103 20 0 GIADRO CC(=O)Nc1cccc(C[NH2+][C@H](C)CC(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000121880795 823269322 /nfs/dbraw/zinc/26/93/22/823269322.db2.gz ASALIUREJLBXDG-CYBMUJFWSA-N 1 0 393.409 4.171 20 0 GIADRO CC(C)c1ccc(CCC(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000176688392 823268469 /nfs/dbraw/zinc/26/84/69/823268469.db2.gz FRYOEYUSGJZUPX-UHFFFAOYSA-N 1 0 394.559 4.016 20 0 GIADRO Cc1ccc(NC(=O)C(=O)Nc2cccc3c2C[N@H+]([C@H](C)C(C)C)C3)c(C)c1 ZINC000188593509 823268689 /nfs/dbraw/zinc/26/86/89/823268689.db2.gz VQJNHHULKQLFOQ-QGZVFWFLSA-N 1 0 379.504 4.241 20 0 GIADRO Cc1ccsc1C(=O)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000057274236 823274510 /nfs/dbraw/zinc/27/45/10/823274510.db2.gz XVLOPUBIHZWYEY-UHFFFAOYSA-N 1 0 392.528 4.026 20 0 GIADRO CC(C)CC1(C[NH2+][C@H](C)c2ccc(S(=O)(=O)NCc3ccco3)cc2)CC1 ZINC000572025970 823271025 /nfs/dbraw/zinc/27/10/25/823271025.db2.gz LIPNMWJPPGOPRZ-QGZVFWFLSA-N 1 0 390.549 4.235 20 0 GIADRO C[C@H](C(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1)c1ccc(Br)cc1 ZINC000572032973 823271742 /nfs/dbraw/zinc/27/17/42/823271742.db2.gz JRFDTEVCFBVXSM-SCLBCKFNSA-N 1 0 393.300 4.111 20 0 GIADRO Cc1ccccc1OC[C@@H](O)C[NH2+][C@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000572039408 823272697 /nfs/dbraw/zinc/27/26/97/823272697.db2.gz QOODWHMYOJBBGD-QUCCMNQESA-N 1 0 378.472 4.273 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)CSC1=Nc2ccccc2CS1)c1ccccc1 ZINC000005325588 817574505 /nfs/dbraw/zinc/57/45/05/817574505.db2.gz QLWVQECFZSCMLL-SFHVURJKSA-N 1 0 385.558 4.073 20 0 GIADRO CC(C)Oc1ccc(CNC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000121899802 823272954 /nfs/dbraw/zinc/27/29/54/823272954.db2.gz DXALHZISHPIFBD-UHFFFAOYSA-N 1 0 399.510 4.077 20 0 GIADRO Cc1cc(-c2cc(C(=O)N[C@H](C)C[C@@H](C)[NH3+])c3cnn(C(C)C)c3n2)c(C)s1 ZINC000572043925 823273311 /nfs/dbraw/zinc/27/33/11/823273311.db2.gz UFHTWRQEGSBLID-CHWSQXEVSA-N 1 0 399.564 4.213 20 0 GIADRO CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000188618378 823273932 /nfs/dbraw/zinc/27/39/32/823273932.db2.gz OSOZGMCNGQCYPV-FCEWJHQRSA-N 1 0 389.458 4.098 20 0 GIADRO Cc1ccc(C(=O)Nc2ccc(C[NH+]3CCN(c4ccccn4)CC3)cc2)s1 ZINC000057274240 823274361 /nfs/dbraw/zinc/27/43/61/823274361.db2.gz YLPVYHCANRDHJC-UHFFFAOYSA-N 1 0 392.528 4.026 20 0 GIADRO Cc1ccc(C[C@@H]([NH2+]C2CCN(C(=O)c3ccco3)CC2)c2ccccn2)cc1 ZINC000121931138 823279178 /nfs/dbraw/zinc/27/91/78/823279178.db2.gz ZDXDTTRORDFFIB-JOCHJYFZSA-N 1 0 389.499 4.161 20 0 GIADRO Cc1ccc(C)c(NC(=O)[C@H](C)[NH2+][C@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000572081575 823279773 /nfs/dbraw/zinc/27/97/73/823279773.db2.gz WMJGYNXQYDORGL-NBHGPNQESA-N 1 0 385.939 4.319 20 0 GIADRO Cc1c([C@H](C)[NH2+]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)cnn1-c1ccc(F)cc1 ZINC000188623812 823275115 /nfs/dbraw/zinc/27/51/15/823275115.db2.gz LDWFXRYLILKGKM-ZUEVXXBESA-N 1 0 399.432 4.454 20 0 GIADRO Cc1cc(CN(C)C(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)no1 ZINC000057286149 823275899 /nfs/dbraw/zinc/27/58/99/823275899.db2.gz CVMRUHFNXOWTDW-UHFFFAOYSA-N 1 0 384.524 4.089 20 0 GIADRO O=C(c1ccsc1Br)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000460025355 823280569 /nfs/dbraw/zinc/28/05/69/823280569.db2.gz NXRPHJGCNMLZEU-CYBMUJFWSA-N 1 0 377.307 4.135 20 0 GIADRO C[C@@H](NC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1)c1ccccn1 ZINC000057286382 823276314 /nfs/dbraw/zinc/27/63/14/823276314.db2.gz OSRRMBLMOSBDGQ-GOSISDBHSA-N 1 0 380.536 4.407 20 0 GIADRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)N(Cc2ccco2)c2ccccn2)[C@H](C(F)(F)F)C1 ZINC000460004856 823277606 /nfs/dbraw/zinc/27/76/06/823277606.db2.gz JUKDIHXQXAEKIC-HZPDHXFCSA-N 1 0 395.425 4.117 20 0 GIADRO S=C(NCCc1ccc(Cl)cc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000006475027 817696736 /nfs/dbraw/zinc/69/67/36/817696736.db2.gz GQBDMXZYDVJGJF-UHFFFAOYSA-N 1 0 387.980 4.011 20 0 GIADRO CC[NH+](CC)CCOC(=O)c1ccc(NC(=S)Nc2ccc(F)cc2)cc1 ZINC000006629860 817712652 /nfs/dbraw/zinc/71/26/52/817712652.db2.gz IFCROWYXLLYTKC-UHFFFAOYSA-N 1 0 389.496 4.133 20 0 GIADRO C[C@H](NC(=O)C[N@@H+]1CC[C@@H](c2ccncc2)C1)c1ccc(Cl)cc1Cl ZINC000572100117 823283054 /nfs/dbraw/zinc/28/30/54/823283054.db2.gz MJNKDUWGEGPMSY-DZGCQCFKSA-N 1 0 378.303 4.055 20 0 GIADRO S=C(NCCSc1ccccc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000007009458 817738009 /nfs/dbraw/zinc/73/80/09/817738009.db2.gz DPKZGVYCVVFWBY-UHFFFAOYSA-N 1 0 385.602 4.039 20 0 GIADRO CSC1(CNC(=O)N[C@@H](c2ccc(F)cc2)C(C)(C)C)CC[NH+](C)CC1 ZINC000460110305 823286277 /nfs/dbraw/zinc/28/62/77/823286277.db2.gz VVRXZVJMYWIKEU-KRWDZBQOSA-N 1 0 381.561 4.040 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)CC(=O)N(C)[C@H](C)c3ccccc3)C2)s1 ZINC000572124694 823286875 /nfs/dbraw/zinc/28/68/75/823286875.db2.gz ASYMGJPCCGXXDV-WOJBJXKFSA-N 1 0 399.604 4.030 20 0 GIADRO O=C(c1ccc(CSc2ccccc2)cc1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000572155276 823291333 /nfs/dbraw/zinc/29/13/33/823291333.db2.gz DAVGKGQGRAYZNY-LEWJYISDSA-N 1 0 380.557 4.441 20 0 GIADRO C[NH+](C)CCN(CCCc1ccccc1)C(=O)c1cnc(-c2ccco2)s1 ZINC000409706518 823287227 /nfs/dbraw/zinc/28/72/27/823287227.db2.gz FGGLADRCYMTQLM-UHFFFAOYSA-N 1 0 383.517 4.040 20 0 GIADRO CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)NCc2ccc3c(c2)C[NH2+]C3)c1 ZINC000188695218 823287334 /nfs/dbraw/zinc/28/73/34/823287334.db2.gz NHHXXHRKZBFZRK-UHFFFAOYSA-N 1 0 399.922 4.248 20 0 GIADRO Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]Cc1ccc(CS(C)(=O)=O)cc1 ZINC000121978483 823287761 /nfs/dbraw/zinc/28/77/61/823287761.db2.gz PNYZWCBYDWCJEL-LJQANCHMSA-N 1 0 393.936 4.197 20 0 GIADRO CSc1ccc(CNC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000460121298 823288492 /nfs/dbraw/zinc/28/84/92/823288492.db2.gz OCFWHOWPDPUPRG-SFTDATJTSA-N 1 0 395.572 4.072 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)c1 ZINC000572139004 823289014 /nfs/dbraw/zinc/28/90/14/823289014.db2.gz CSHAGDWIIBKBSZ-UHFFFAOYSA-N 1 0 398.507 4.256 20 0 GIADRO CSc1cccc(NC(=O)C(=O)Nc2cccc3c2C[N@@H+]([C@@H](C)C(C)C)C3)c1 ZINC000188705914 823289266 /nfs/dbraw/zinc/28/92/66/823289266.db2.gz IHXJXLJCZDLACL-HNNXBMFYSA-N 1 0 397.544 4.346 20 0 GIADRO CSc1cccc(NC(=O)C(=O)Nc2cccc3c2C[N@@H+]([C@H](C)C(C)C)C3)c1 ZINC000188705889 823289291 /nfs/dbraw/zinc/28/92/91/823289291.db2.gz IHXJXLJCZDLACL-OAHLLOKOSA-N 1 0 397.544 4.346 20 0 GIADRO C[C@H](Nc1ccc([NH+]2CCCCCC2)cc1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000007286167 817811311 /nfs/dbraw/zinc/81/13/11/817811311.db2.gz SVHMCRIWKWEGDS-KRWDZBQOSA-N 1 0 395.503 4.277 20 0 GIADRO CC(C)C[C@@H](C)n1nccc1NC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000460126161 823289876 /nfs/dbraw/zinc/28/98/76/823289876.db2.gz UXBTWLBEYAQRNE-MRXNPFEDSA-N 1 0 377.558 4.147 20 0 GIADRO Cc1c(Br)cccc1CC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000188709714 823290277 /nfs/dbraw/zinc/29/02/77/823290277.db2.gz AVBCGWAJAOFATC-UHFFFAOYSA-N 1 0 393.369 4.213 20 0 GIADRO Cc1cc(C)c(NC(=S)NC[C@H](Cc2ccccc2)[NH+](C)C)c(Cl)c1 ZINC000007326309 817818592 /nfs/dbraw/zinc/81/85/92/817818592.db2.gz WZSHCEZSFFNEAS-KRWDZBQOSA-N 1 0 375.969 4.416 20 0 GIADRO CCC[C@H](C)[C@H](CC)[NH2+]C1CCN(c2ccc(S(=O)(=O)CC)cc2)CC1 ZINC000121995357 823290386 /nfs/dbraw/zinc/29/03/86/823290386.db2.gz QBLZQDXSEZDJMU-UWJYYQICSA-N 1 0 380.598 4.253 20 0 GIADRO CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000572148811 823290729 /nfs/dbraw/zinc/29/07/29/823290729.db2.gz CQHHJKZCLZVEJG-QGZVFWFLSA-N 1 0 382.470 4.266 20 0 GIADRO COc1cncc(/C=C\CC[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)c1 ZINC000572152549 823291055 /nfs/dbraw/zinc/29/10/55/823291055.db2.gz WKUWYIVVLRPXRJ-LEXSJLIMSA-N 1 0 380.467 4.478 20 0 GIADRO O=C(NCc1ccc(Cl)s1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460135736 823292546 /nfs/dbraw/zinc/29/25/46/823292546.db2.gz SMWQLUSCBZSQPN-DLBZAZTESA-N 1 0 389.952 4.065 20 0 GIADRO C[C@@H]([NH2+]CCc1ccccc1OC(F)F)c1cccc(N2CCOCC2)c1 ZINC000188721869 823292925 /nfs/dbraw/zinc/29/29/25/823292925.db2.gz SRNKBRLZGLFCPB-MRXNPFEDSA-N 1 0 376.447 4.018 20 0 GIADRO C[NH+](C)CC1(C(=O)N[C@@H](c2cccc(Cl)c2)c2ccccn2)CCCCC1 ZINC000460137360 823293289 /nfs/dbraw/zinc/29/32/89/823293289.db2.gz XNHICZPSTGYCLP-FQEVSTJZSA-N 1 0 385.939 4.453 20 0 GIADRO FC(F)Oc1ccc(NC(=S)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000007530724 817862843 /nfs/dbraw/zinc/86/28/43/817862843.db2.gz YQAMQLBGEGELSK-HNNXBMFYSA-N 1 0 381.448 4.005 20 0 GIADRO COc1cccc([C@H](CNC(=S)Nc2cccc(Cl)c2C)[NH+](C)C)c1 ZINC000007581456 817873695 /nfs/dbraw/zinc/87/36/95/817873695.db2.gz XDZVVYLEFMMIQZ-SFHVURJKSA-N 1 0 377.941 4.246 20 0 GIADRO C[NH+](C)CCNC(=S)Nc1ccc(Oc2ccc(Br)cc2)cc1 ZINC000007582211 817873711 /nfs/dbraw/zinc/87/37/11/817873711.db2.gz OPRRYPBZOZWJPA-UHFFFAOYSA-N 1 0 394.338 4.089 20 0 GIADRO C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)NCC(C)(C)[NH+](C)C ZINC000057427980 823294815 /nfs/dbraw/zinc/29/48/15/823294815.db2.gz CFJKPTOZKVZFRK-ZDUSSCGKSA-N 1 0 395.956 4.073 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)C2(c3ccccc3C)CCOCC2)cc1 ZINC000057428737 823294834 /nfs/dbraw/zinc/29/48/34/823294834.db2.gz LFMMRAQDYNIAKO-UHFFFAOYSA-N 1 0 394.559 4.201 20 0 GIADRO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(F)cc1C(F)(F)F ZINC000122026017 823295309 /nfs/dbraw/zinc/29/53/09/823295309.db2.gz NJJNMBRTJALVTQ-INIZCTEOSA-N 1 0 394.412 4.139 20 0 GIADRO COc1ccc(NC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cc1Cl ZINC000409747358 823297848 /nfs/dbraw/zinc/29/78/48/823297848.db2.gz BEGRRYUYSLYLQX-UHFFFAOYSA-N 1 0 387.911 4.443 20 0 GIADRO COCC[N@H+](C)CC[C@@H](NC(=O)[C@@H]1CCSc2ccccc21)c1ccccc1 ZINC000460149707 823297851 /nfs/dbraw/zinc/29/78/51/823297851.db2.gz JQKZSLBVIFJOJO-NHCUHLMSSA-N 1 0 398.572 4.092 20 0 GIADRO C[C@H]1CO[C@H](c2ccccc2)CN1C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000572184113 823296249 /nfs/dbraw/zinc/29/62/49/823296249.db2.gz NHQGPDVRBOQRGG-CVDCTZTESA-N 1 0 378.516 4.275 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)CC(c1ccccc1)c1ccccc1)Cc1ccccc1 ZINC000007683644 817894438 /nfs/dbraw/zinc/89/44/38/817894438.db2.gz GGKMDRQSNKUFLG-XMMPIXPASA-N 1 0 386.539 4.498 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1cc(O)ccc1C(F)(F)F ZINC000188743420 823296489 /nfs/dbraw/zinc/29/64/89/823296489.db2.gz ITLZCHRQCUJHOU-UHFFFAOYSA-N 1 0 378.394 4.302 20 0 GIADRO COC(C)(C)C[C@H](C)[NH2+][C@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000122065941 823301209 /nfs/dbraw/zinc/30/12/09/823301209.db2.gz MUHIPRWPFBESHM-OLZOCXBDSA-N 1 0 376.419 4.096 20 0 GIADRO COC(C)(C)C[C@@H](C)[NH2+][C@@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000122066152 823301344 /nfs/dbraw/zinc/30/13/44/823301344.db2.gz MUHIPRWPFBESHM-QWHCGFSZSA-N 1 0 376.419 4.096 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)COc2cccc(C(F)(F)F)c2)cc1 ZINC000007828564 817927162 /nfs/dbraw/zinc/92/71/62/817927162.db2.gz FEJBJWUJANWQAQ-UHFFFAOYSA-N 1 0 394.437 4.242 20 0 GIADRO CCOC(=O)Nc1ccc(C(=O)NCc2ccc(C[NH+](CC)CC)cc2)cc1 ZINC000007829213 817927981 /nfs/dbraw/zinc/92/79/81/817927981.db2.gz ITNDDTLYFXXAPK-UHFFFAOYSA-N 1 0 383.492 4.027 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCCc2occc2C1 ZINC000460160315 823301908 /nfs/dbraw/zinc/30/19/08/823301908.db2.gz DIOHMKWHPUSNFA-SFHVURJKSA-N 1 0 381.520 4.312 20 0 GIADRO CC(C)(C(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccccc1Br ZINC000409769716 823303320 /nfs/dbraw/zinc/30/33/20/823303320.db2.gz QMMCTBRQWCHCIQ-UHFFFAOYSA-N 1 0 393.369 4.250 20 0 GIADRO CCCc1ccc([C@H]([NH2+][C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)C(C)C)cc1 ZINC000007851622 817938432 /nfs/dbraw/zinc/93/84/32/817938432.db2.gz LYBFJWDWWWNLRR-HRAATJIYSA-N 1 0 381.520 4.052 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000572216664 823302561 /nfs/dbraw/zinc/30/25/61/823302561.db2.gz RNOIJCACMOPGNI-ZRBLBEILSA-N 1 0 399.579 4.262 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2cc(C)ccc2C)cc1Br ZINC000007879244 817948275 /nfs/dbraw/zinc/94/82/75/817948275.db2.gz SYPRBQYLJGKJNA-AWEZNQCLSA-N 1 0 391.309 4.364 20 0 GIADRO COc1cnccc1[C@@H](C)[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000188762265 823299559 /nfs/dbraw/zinc/29/95/59/823299559.db2.gz BMEFWHIVRVVSHK-CQSZACIVSA-N 1 0 377.891 4.198 20 0 GIADRO COc1cccc(F)c1[C@@H](C)NC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000176828170 823303971 /nfs/dbraw/zinc/30/39/71/823303971.db2.gz SWGZTZRSOZVWOS-IAGOWNOFSA-N 1 0 399.510 4.420 20 0 GIADRO Cc1ccc([C@@H](CN2CCOCC2)[NH2+]Cc2cscc2C(F)(F)F)cc1 ZINC000572231224 823305097 /nfs/dbraw/zinc/30/50/97/823305097.db2.gz CSIFSUMHRCEFFK-GOSISDBHSA-N 1 0 384.467 4.238 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(OCC(F)(F)F)cc1)C(=O)N1c2ccccc2C[C@H]1C ZINC000572229867 823305209 /nfs/dbraw/zinc/30/52/09/823305209.db2.gz ZEJVPLILCDVZNR-HUUCEWRRSA-N 1 0 392.421 4.084 20 0 GIADRO CC(C)OCc1c2ccccc2oc1C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000057544185 823308657 /nfs/dbraw/zinc/30/86/57/823308657.db2.gz ZOJVVAAFINHLHG-HDICACEKSA-N 1 0 386.536 4.456 20 0 GIADRO O=C(C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1)N1CCc2ccccc2C1 ZINC000008261864 818025689 /nfs/dbraw/zinc/02/56/89/818025689.db2.gz AUQOFSPVALUNGJ-IBGZPJMESA-N 1 0 391.540 4.061 20 0 GIADRO CN(Cc1nc2c(s1)CCCC2)C(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000176842426 823307015 /nfs/dbraw/zinc/30/70/15/823307015.db2.gz KZVXCTWCVDMMJZ-UHFFFAOYSA-N 1 0 383.517 4.102 20 0 GIADRO Cc1cc(C(=O)OC(C)(C)C)cc(C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000572245681 823307117 /nfs/dbraw/zinc/30/71/17/823307117.db2.gz VPIIZROBEZXWKQ-UHFFFAOYSA-N 1 0 388.552 4.143 20 0 GIADRO O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)c1cccc(Cl)c1 ZINC000176846518 823308098 /nfs/dbraw/zinc/30/80/98/823308098.db2.gz HRKNHXGRIITQML-UHFFFAOYSA-N 1 0 386.923 4.141 20 0 GIADRO COCc1ccccc1C[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000122121968 823309460 /nfs/dbraw/zinc/30/94/60/823309460.db2.gz AJMKMKGUOXRWBR-UHFFFAOYSA-N 1 0 376.903 4.380 20 0 GIADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000572263547 823309683 /nfs/dbraw/zinc/30/96/83/823309683.db2.gz JWIOPCDBPDULDR-SZVBFZGTSA-N 1 0 389.337 4.000 20 0 GIADRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@@H]2CCCC23CCOCC3)c1 ZINC000409798286 823310173 /nfs/dbraw/zinc/31/01/73/823310173.db2.gz TZACCTIDVBQAKE-HSZRJFAPSA-N 1 0 392.543 4.398 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)c2scnc2C(C)(C)C)cc1Cl ZINC000176854798 823310887 /nfs/dbraw/zinc/31/08/87/823310887.db2.gz MYFMUCGFBFUWOV-UHFFFAOYSA-N 1 0 381.929 4.287 20 0 GIADRO O=C(CCC(F)(F)F)N1CCC[C@@H]([NH2+][C@@H](c2ccco2)c2ccccc2)C1 ZINC000572270225 823310947 /nfs/dbraw/zinc/31/09/47/823310947.db2.gz MDUOYQJSBNRXAF-VQIMIIECSA-N 1 0 380.410 4.292 20 0 GIADRO CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000460201108 823314918 /nfs/dbraw/zinc/31/49/18/823314918.db2.gz HVTMYUBMDPDNDX-HOJAQTOUSA-N 1 0 399.583 4.364 20 0 GIADRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1ccc(SC)cc1 ZINC000011555810 818095253 /nfs/dbraw/zinc/09/52/53/818095253.db2.gz BCIGJGMSHADHHS-UHFFFAOYSA-N 1 0 382.533 4.352 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)NC12CC3CC(CC(C3)C1)C2)[NH+]1CCCC1 ZINC000057580490 823311626 /nfs/dbraw/zinc/31/16/26/823311626.db2.gz FTPDLHCWWYAFFQ-IOFSEFHDSA-N 1 0 397.563 4.100 20 0 GIADRO COc1cc2c(cc1Cl)CN(C(=O)C1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC000572276399 823311869 /nfs/dbraw/zinc/31/18/69/823311869.db2.gz MODDZFNCWUIGHU-UHFFFAOYSA-N 1 0 398.934 4.146 20 0 GIADRO CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000460201111 823314999 /nfs/dbraw/zinc/31/49/99/823314999.db2.gz HVTMYUBMDPDNDX-SXLOBPIMSA-N 1 0 399.583 4.364 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cc(Cl)ccc2OC)cc1 ZINC000011708400 818110731 /nfs/dbraw/zinc/11/07/31/818110731.db2.gz QWPSGNJFRJCKBI-ZIAGYGMSSA-N 1 0 376.884 4.425 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@H]2CCc3sc(Cl)cc32)ccc1S(C)(=O)=O ZINC000572291949 823314583 /nfs/dbraw/zinc/31/45/83/823314583.db2.gz KDKJXOWSNQWQAA-GWCFXTLKSA-N 1 0 385.938 4.152 20 0 GIADRO O=C(CN1CCC(OCC2CCCCC2)CC1)N[C@@H](c1ccccc1)C1CC1 ZINC000572326035 823320840 /nfs/dbraw/zinc/32/08/40/823320840.db2.gz NWTUHOSTFINBRQ-DEOSSOPVSA-N 1 0 384.564 4.315 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3cccc(C4CCC4)c3)nc2)CC1 ZINC000409818129 823316118 /nfs/dbraw/zinc/31/61/18/823316118.db2.gz BHOJXVVHMYPVKZ-UHFFFAOYSA-N 1 0 378.520 4.132 20 0 GIADRO Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)c(C)c1 ZINC000012328220 818155115 /nfs/dbraw/zinc/15/51/15/818155115.db2.gz NLKJLCXGLPVBSI-PMACEKPBSA-N 1 0 393.531 4.290 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+][C@H](C)c2ccc(F)cc2F)c1 ZINC000122170603 823316311 /nfs/dbraw/zinc/31/63/11/823316311.db2.gz IJIKTDGHRBBZBX-CHWSQXEVSA-N 1 0 378.419 4.050 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(O)ccc1C(F)(F)F)c1ccccc1 ZINC000188846915 823316569 /nfs/dbraw/zinc/31/65/69/823316569.db2.gz DARBCLPIXWAJOQ-SFHVURJKSA-N 1 0 380.410 4.224 20 0 GIADRO CSc1cc(Br)ccc1C[NH2+][C@H]1CCC[C@@H](N2CCCC2=O)C1 ZINC000572304643 823316645 /nfs/dbraw/zinc/31/66/45/823316645.db2.gz WHTUMKVCZPLBCX-JKSUJKDBSA-N 1 0 397.382 4.194 20 0 GIADRO CSc1cc(Br)ccc1C[NH2+][C@@H]1CCC[C@H](N2CCCC2=O)C1 ZINC000572304640 823316767 /nfs/dbraw/zinc/31/67/67/823316767.db2.gz WHTUMKVCZPLBCX-CVEARBPZSA-N 1 0 397.382 4.194 20 0 GIADRO CS(=O)(=O)c1cccc([C@H]([NH2+]CCCOc2ccccc2)c2ccccc2)c1 ZINC000176883553 823317157 /nfs/dbraw/zinc/31/71/57/823317157.db2.gz OSTMOIACLOPJGP-HSZRJFAPSA-N 1 0 395.524 4.238 20 0 GIADRO Cc1ccccc1C1(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CCCCC1 ZINC000122187827 823318944 /nfs/dbraw/zinc/31/89/44/823318944.db2.gz WIWGYUAQENVGDT-PKTZIBPZSA-N 1 0 398.591 4.081 20 0 GIADRO C[NH+](C)CCOc1cnccc1CNCc1ccc(-c2ccccc2)cc1F ZINC000572319342 823319338 /nfs/dbraw/zinc/31/93/38/823319338.db2.gz QKUMITGGXYOQCN-UHFFFAOYSA-N 1 0 379.479 4.118 20 0 GIADRO O=C(CCc1ccc(OC(F)F)cc1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000122195094 823319994 /nfs/dbraw/zinc/31/99/94/823319994.db2.gz QXGODCABJFOAPJ-GOSISDBHSA-N 1 0 392.446 4.157 20 0 GIADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000013621802 818214586 /nfs/dbraw/zinc/21/45/86/818214586.db2.gz YVMZDFJIBARPPI-UHFFFAOYSA-N 1 0 395.547 4.308 20 0 GIADRO C[C@H](Sc1ccc(Br)cc1)C(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000176898545 823320113 /nfs/dbraw/zinc/32/01/13/823320113.db2.gz IPKYPMLSSPVOHR-LBPRGKRZSA-N 1 0 394.338 4.025 20 0 GIADRO Cc1ccccc1C1(C[NH2+][C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)CCOCC1 ZINC000122202348 823321120 /nfs/dbraw/zinc/32/11/20/823321120.db2.gz GAVZPXPKJXAHQI-VQTJNVASSA-N 1 0 388.552 4.079 20 0 GIADRO CCC[N@H+](CC)Cc1ccc(C(=O)NCc2cc(C)nc(N3CCCC3)c2)cc1 ZINC000572330297 823321907 /nfs/dbraw/zinc/32/19/07/823321907.db2.gz KAMNEFXOENCOCZ-UHFFFAOYSA-N 1 0 394.563 4.152 20 0 GIADRO Cc1ccccc1COc1cccc(CC(=O)Nc2cc(C[NH+](C)C)ccn2)c1 ZINC000176908750 823322007 /nfs/dbraw/zinc/32/20/07/823322007.db2.gz PQVFNHPKCULIND-UHFFFAOYSA-N 1 0 389.499 4.212 20 0 GIADRO O=C(c1cccc2ncccc21)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000014310890 818233914 /nfs/dbraw/zinc/23/39/14/818233914.db2.gz AHWMNRCITRQNLV-UHFFFAOYSA-N 1 0 381.479 4.346 20 0 GIADRO Cc1cccc2c1OCC[C@H]2[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000188882278 823322237 /nfs/dbraw/zinc/32/22/37/823322237.db2.gz NECVUMZKGSUPII-MRXNPFEDSA-N 1 0 390.277 4.142 20 0 GIADRO CC(C)[C@H](C)N(C(=O)C(=O)Nc1cccc2c1C[N@@H+]([C@@H](C)C(C)C)C2)C1CC1 ZINC000188886395 823323084 /nfs/dbraw/zinc/32/30/84/823323084.db2.gz SSWOYJMWCKBZGL-IRXDYDNUSA-N 1 0 385.552 4.021 20 0 GIADRO COc1ccc2sc(C(=O)NCC3([NH+](C)C)Cc4ccccc4C3)c(C)c2c1 ZINC000460226847 823323472 /nfs/dbraw/zinc/32/34/72/823323472.db2.gz KWQBMCWPZFNQOH-UHFFFAOYSA-N 1 0 394.540 4.047 20 0 GIADRO O=S(=O)(/C=C/c1ccc(Cl)cc1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000057705198 823323691 /nfs/dbraw/zinc/32/36/91/823323691.db2.gz MDXKGVBCGOIUFD-VEMDQMBVSA-N 1 0 396.965 4.129 20 0 GIADRO O=C(CC[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O)Nc1c(Cl)cccc1Cl ZINC000572353767 823326341 /nfs/dbraw/zinc/32/63/41/823326341.db2.gz MXEXVLUAPMCAOT-XYPHTWIQSA-N 1 0 385.335 4.338 20 0 GIADRO CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(NC(=O)c2ccco2)cc1 ZINC000122224703 823323805 /nfs/dbraw/zinc/32/38/05/823323805.db2.gz QJILXKKIDOEGIN-ROUUACIJSA-N 1 0 399.491 4.067 20 0 GIADRO COc1ccc(OC)c(-c2csc(NC(=O)[C@@H]3CCCCCC[C@H]3[NH3+])n2)c1 ZINC000572355431 823326432 /nfs/dbraw/zinc/32/64/32/823326432.db2.gz NSBSZONNZKEBBE-GDBMZVCRSA-N 1 0 389.521 4.064 20 0 GIADRO CCn1c(-c2cccc3ccccc32)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460230735 823324733 /nfs/dbraw/zinc/32/47/33/823324733.db2.gz QJZMXVGGMJDEJI-HKUYNNGSSA-N 1 0 375.520 4.181 20 0 GIADRO CCCCC[C@H](C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)C(C)C ZINC000122233905 823325662 /nfs/dbraw/zinc/32/56/62/823325662.db2.gz BKKBLOHXJKJBLO-NRFANRHFSA-N 1 0 387.568 4.175 20 0 GIADRO CN(C)C(=O)Sc1cccc(C[N@H+](CCO)[C@@H]2CCCc3ccccc32)c1 ZINC000176926181 823325692 /nfs/dbraw/zinc/32/56/92/823325692.db2.gz ASMVEDQBNYBCTM-OAQYLSRUSA-N 1 0 384.545 4.332 20 0 GIADRO CN(C)C(=O)Sc1ccc(C[N@H+](CCO)[C@H]2CCCc3ccccc32)cc1 ZINC000176926237 823325814 /nfs/dbraw/zinc/32/58/14/823325814.db2.gz UIYXWNIUTTXZCD-NRFANRHFSA-N 1 0 384.545 4.332 20 0 GIADRO COCC1(C[NH2+][C@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)CCC1 ZINC000409853018 823326776 /nfs/dbraw/zinc/32/67/76/823326776.db2.gz MFLVYULGDCGGKY-NRFANRHFSA-N 1 0 382.504 4.090 20 0 GIADRO C[C@@H](O)[C@](C)(C[NH2+]C1CCC2(CC1)C(=O)Nc1ccccc12)Cc1ccccc1 ZINC000188909986 823327035 /nfs/dbraw/zinc/32/70/35/823327035.db2.gz JVUGSPIOGFBJHN-KQCHQBDYSA-N 1 0 392.543 4.039 20 0 GIADRO CCn1c(-c2ccc(Cl)cc2F)nnc1N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000460237753 823327024 /nfs/dbraw/zinc/32/70/24/823327024.db2.gz AZXFXPZHKMPJKN-HIFRSBDPSA-N 1 0 379.911 4.067 20 0 GIADRO CCN(CC)C(=O)C1([NH2+]Cc2cccc(SC(=O)N(C)C)c2)CCCCC1 ZINC000176929903 823327042 /nfs/dbraw/zinc/32/70/42/823327042.db2.gz CVXIBOOSAJMAIT-UHFFFAOYSA-N 1 0 391.581 4.121 20 0 GIADRO Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C ZINC000122280857 823331853 /nfs/dbraw/zinc/33/18/53/823331853.db2.gz INZKBTAGIFYXJY-IRXDYDNUSA-N 1 0 395.931 4.012 20 0 GIADRO Cc1cc(NC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)ccc1-c1ccccc1 ZINC000460240819 823328164 /nfs/dbraw/zinc/32/81/64/823328164.db2.gz ULDSILSWDQBCMA-OAQYLSRUSA-N 1 0 381.520 4.237 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1ccc(F)cc1Br)c1ccccc1 ZINC000057758725 823329527 /nfs/dbraw/zinc/32/95/27/823329527.db2.gz VKDROQNUKIZJGO-MRXNPFEDSA-N 1 0 380.261 4.013 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)Nc2ccc(F)c(F)c2F)CC[N@@H+]1Cc1ccccc1 ZINC000176948826 823332106 /nfs/dbraw/zinc/33/21/06/823332106.db2.gz CFWBFWQEZHFLGO-UKRRQHHQSA-N 1 0 377.410 4.279 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(Cl)cc2OC(F)F)C[C@H]1C ZINC000460255403 823332177 /nfs/dbraw/zinc/33/21/77/823332177.db2.gz XQJXYQRQSPLMER-DGCLKSJQSA-N 1 0 375.847 4.278 20 0 GIADRO COCCCCC(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000122269425 823330317 /nfs/dbraw/zinc/33/03/17/823330317.db2.gz PHNIYQIOFAVRKN-UHFFFAOYSA-N 1 0 380.532 4.382 20 0 GIADRO CC[NH+](CC)CCSCc1csc(CC(=O)Nc2ccccc2C)n1 ZINC000176942599 823330688 /nfs/dbraw/zinc/33/06/88/823330688.db2.gz PMERLPWXGHNSSK-UHFFFAOYSA-N 1 0 377.579 4.208 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1)c1cccc(CO)c1 ZINC000122273133 823330897 /nfs/dbraw/zinc/33/08/97/823330897.db2.gz WQJWLWQRNZEYNJ-MRXNPFEDSA-N 1 0 378.447 4.421 20 0 GIADRO CC[C@H](C)[NH2+][C@H](CNC(=O)CCc1ccc(OC)c(Cl)c1)c1ccco1 ZINC000572387235 823330954 /nfs/dbraw/zinc/33/09/54/823330954.db2.gz RSEONFAKJJZIKL-WMLDXEAASA-N 1 0 378.900 4.120 20 0 GIADRO COc1ccccc1SC[C@@H](C)C[NH2+]Cc1cn(-c2ccccc2C)nn1 ZINC000572387274 823331065 /nfs/dbraw/zinc/33/10/65/823331065.db2.gz SQDCQKZYFQOHFN-INIZCTEOSA-N 1 0 382.533 4.102 20 0 GIADRO Cc1ccc2[nH]c([C@H]3CCCN3C(=O)NC[C@@H](c3cccs3)[NH+](C)C)nc2c1 ZINC000057774265 823331172 /nfs/dbraw/zinc/33/11/72/823331172.db2.gz JOGMHYDAADKOMU-MSOLQXFVSA-N 1 0 397.548 4.082 20 0 GIADRO CCOC(=O)c1c(NC(=O)C2CCCC2)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC000015962384 818379958 /nfs/dbraw/zinc/37/99/58/818379958.db2.gz IHUTTZYRVCZNRD-UHFFFAOYSA-N 1 0 378.538 4.213 20 0 GIADRO C[NH+](C)Cc1cccc(C(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)c1 ZINC000122290257 823333057 /nfs/dbraw/zinc/33/30/57/823333057.db2.gz URZVJJQVTQHXNQ-OAHLLOKOSA-N 1 0 397.466 4.243 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2cccc3ccc(=O)[nH]c32)CC1 ZINC000572402935 823333340 /nfs/dbraw/zinc/33/33/40/823333340.db2.gz MTYYOLBZHBZXKQ-QGZVFWFLSA-N 1 0 381.520 4.057 20 0 GIADRO O=C(CSc1ccc(F)c(F)c1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000057790970 823333493 /nfs/dbraw/zinc/33/34/93/823333493.db2.gz JYYUWYFEBURODQ-LJQANCHMSA-N 1 0 376.472 4.010 20 0 GIADRO COc1ccc([C@H](C[NH2+]Cc2ccc(Cl)cc2Cl)N2CCOCC2)cc1 ZINC000057801108 823334438 /nfs/dbraw/zinc/33/44/38/823334438.db2.gz SWADPJFDAOWKFH-FQEVSTJZSA-N 1 0 395.330 4.165 20 0 GIADRO C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@H]2C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)o1 ZINC000409892136 823337446 /nfs/dbraw/zinc/33/74/46/823337446.db2.gz QGAFRAQEJWEWOJ-GRGSLBFTSA-N 1 0 395.503 4.035 20 0 GIADRO COc1ccccc1[C@H](CNC(=S)Nc1ccc(C(C)=O)cc1)[NH+]1CCCC1 ZINC000016241316 818409053 /nfs/dbraw/zinc/40/90/53/818409053.db2.gz QDLIYWHZFCNSGP-FQEVSTJZSA-N 1 0 397.544 4.021 20 0 GIADRO CCN(c1nnc([C@@H]2OCC[C@@H]2C)n1CC)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000460266443 823334766 /nfs/dbraw/zinc/33/47/66/823334766.db2.gz KEMBZVNVPBNCJL-FMWKFLBASA-N 1 0 397.567 4.057 20 0 GIADRO CC[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H](Cc2ccccc2)c2ccc(OC)cc2)C1 ZINC000460267994 823335420 /nfs/dbraw/zinc/33/54/20/823335420.db2.gz NWNPUQVPGVSFAO-REWPJTCUSA-N 1 0 395.547 4.010 20 0 GIADRO C[NH+]1CCC([C@@H]2CCN(C(=O)Nc3ccc(Cl)cc3OC(F)F)C2)CC1 ZINC000460267603 823335450 /nfs/dbraw/zinc/33/54/50/823335450.db2.gz NHTXQBMQQQZYFE-CYBMUJFWSA-N 1 0 387.858 4.137 20 0 GIADRO CC(C)[C@H]([NH2+][C@H](C)CCCOc1ccccc1C(N)=O)c1nc2ccccc2[nH]1 ZINC000122307230 823335894 /nfs/dbraw/zinc/33/58/94/823335894.db2.gz SPRCCLHUOFOTAP-IERDGZPVSA-N 1 0 394.519 4.196 20 0 GIADRO Cc1cccc(NC(=O)[C@@H](C)OC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000016402192 818436171 /nfs/dbraw/zinc/43/61/71/818436171.db2.gz QYDGVAOKBUUYLH-GOSISDBHSA-N 1 0 380.488 4.165 20 0 GIADRO COc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000016446230 818443725 /nfs/dbraw/zinc/44/37/25/818443725.db2.gz LXCYJCMAKQTQGB-IAGOWNOFSA-N 1 0 395.503 4.006 20 0 GIADRO CC[N@H+](CC(=O)N[C@H](C)c1ccc(Br)cc1)Cc1ccccc1 ZINC000016483174 818448416 /nfs/dbraw/zinc/44/84/16/818448416.db2.gz KBZCMOYLGPSFOP-OAHLLOKOSA-N 1 0 375.310 4.148 20 0 GIADRO Cc1nc(CC(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)c(C)s1 ZINC000122324396 823338144 /nfs/dbraw/zinc/33/81/44/823338144.db2.gz HAEPAOLPTIBGDU-UHFFFAOYSA-N 1 0 399.604 4.154 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1cc2c(s1)-c1ccccc1OC2)c1ccccc1 ZINC000016599068 818459028 /nfs/dbraw/zinc/45/90/28/818459028.db2.gz USCSGKCZBLGIMV-SFHVURJKSA-N 1 0 378.497 4.340 20 0 GIADRO COc1cc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccc(C)c2C)cc(OC)c1OC ZINC000122335632 823339966 /nfs/dbraw/zinc/33/99/66/823339966.db2.gz LLPZSVSQWGXIQL-LJQANCHMSA-N 1 0 398.503 4.105 20 0 GIADRO Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000189003212 823340513 /nfs/dbraw/zinc/34/05/13/823340513.db2.gz WVTPJIWRPUHVRS-CYBMUJFWSA-N 1 0 395.425 4.131 20 0 GIADRO CN(C)c1cc(Cl)cc(Cl)c1C[NH2+][C@H]1CCO[C@@]2(CCSC2)C1 ZINC000572447065 823341303 /nfs/dbraw/zinc/34/13/03/823341303.db2.gz VUDYWQMYXCNVRO-GUYCJALGSA-N 1 0 375.365 4.204 20 0 GIADRO CCc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C2CCN(C)CC2)cc1 ZINC000017314064 818508467 /nfs/dbraw/zinc/50/84/67/818508467.db2.gz JHKKYHLKGPZLNG-UHFFFAOYSA-N 1 0 388.559 4.345 20 0 GIADRO CN1CCC([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)CC1 ZINC000017313951 818508742 /nfs/dbraw/zinc/50/87/42/818508742.db2.gz OUQXOKNGNHCWJS-UHFFFAOYSA-N 1 0 380.923 4.377 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(Cl)c(OCC(C)C)c(OC)c2)[C@H](C)C1 ZINC000122357225 823343385 /nfs/dbraw/zinc/34/33/85/823343385.db2.gz YFXQHAYIRKLNEL-QAPCUYQASA-N 1 0 396.959 4.186 20 0 GIADRO COc1ccc(C[C@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3nc(C)c(C)s3)C2)cc1 ZINC000572451335 823341856 /nfs/dbraw/zinc/34/18/56/823341856.db2.gz OFMXQOVUBPTNEC-CRAIPNDOSA-N 1 0 387.549 4.050 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)C(C)(C)Cc2nc3ccccc3[nH]2)CC1 ZINC000409912601 823342489 /nfs/dbraw/zinc/34/24/89/823342489.db2.gz QLRPNQAJGASHHD-UHFFFAOYSA-N 1 0 398.595 4.492 20 0 GIADRO COc1ccc([C@@H](CNC(=O)c2ccc(F)cc2Cl)[NH+]2CCCC2)cc1 ZINC000017911602 818532723 /nfs/dbraw/zinc/53/27/23/818532723.db2.gz YKRGGVIFKXFEIM-LJQANCHMSA-N 1 0 376.859 4.055 20 0 GIADRO CC(C)Oc1ccc(NC(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)cc1Cl ZINC000572493222 823349194 /nfs/dbraw/zinc/34/91/94/823349194.db2.gz WBJIWSHWSGXQSW-GOSISDBHSA-N 1 0 379.932 4.369 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)Nc2ccc(-n3cccn3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000176990829 823344125 /nfs/dbraw/zinc/34/41/25/823344125.db2.gz YFDKAHGDXOBURX-NQIIRXRSSA-N 1 0 389.503 4.047 20 0 GIADRO O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)c1ccc(Cl)cc1Cl ZINC000189029235 823344649 /nfs/dbraw/zinc/34/46/49/823344649.db2.gz CGIAZDUXSMWRNJ-SJCJKPOMSA-N 1 0 385.241 4.147 20 0 GIADRO C[C@H](CCNC(=O)C(C)(C)c1ccccc1Br)[NH+]1CCCCC1 ZINC000409922583 823344758 /nfs/dbraw/zinc/34/47/58/823344758.db2.gz KRHAKAYPANLUPU-OAHLLOKOSA-N 1 0 381.358 4.107 20 0 GIADRO COc1ccc(CNC2CC[NH+](C3CCCC3)CC2)cc1OCc1cccnc1 ZINC000176992886 823344882 /nfs/dbraw/zinc/34/48/82/823344882.db2.gz ACNYAELKBJVCEW-UHFFFAOYSA-N 1 0 395.547 4.166 20 0 GIADRO C[NH+](C)CCc1ccc(NC(=O)c2csc(CCc3ccccc3)n2)cc1 ZINC000409926055 823345188 /nfs/dbraw/zinc/34/51/88/823345188.db2.gz ZMDSIYQFGPVIRQ-UHFFFAOYSA-N 1 0 379.529 4.285 20 0 GIADRO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000189032505 823345392 /nfs/dbraw/zinc/34/53/92/823345392.db2.gz AOOZZQIDCSPRNI-GUYCJALGSA-N 1 0 389.540 4.340 20 0 GIADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C/C=C/c1cccc(F)c1 ZINC000176998484 823345934 /nfs/dbraw/zinc/34/59/34/823345934.db2.gz XUFDOARRTONNNN-FNORWQNLSA-N 1 0 397.494 4.018 20 0 GIADRO CN(CC1([NH+](C)C)CCC1)C(=O)C(C)(C)c1csc(-c2cccs2)n1 ZINC000409943477 823349469 /nfs/dbraw/zinc/34/94/69/823349469.db2.gz MBJKQVPKKGTUNZ-UHFFFAOYSA-N 1 0 377.579 4.092 20 0 GIADRO O=C(C[NH2+]C1CC1)Nc1ccc(Sc2ccc(Br)cc2)cc1 ZINC000018937357 818581136 /nfs/dbraw/zinc/58/11/36/818581136.db2.gz ODHVBWGXAJDHSC-UHFFFAOYSA-N 1 0 377.307 4.291 20 0 GIADRO C[C@@H]1CN(c2ccc(C[NH2+]Cc3cc(Cl)cc(C(F)(F)F)c3)cn2)CCO1 ZINC000189044333 823347394 /nfs/dbraw/zinc/34/73/94/823347394.db2.gz WAJGYJKYXOFEPI-CYBMUJFWSA-N 1 0 399.844 4.269 20 0 GIADRO C[NH2+]C[C@@H]1CCN(Cc2cn(-c3ccccc3)nc2-c2cccc(Cl)c2)C1 ZINC000572483285 823347784 /nfs/dbraw/zinc/34/77/84/823347784.db2.gz XVUOAOMEVKKXBA-KRWDZBQOSA-N 1 0 380.923 4.234 20 0 GIADRO C[NH+](C)CCc1ccccc1NC(=O)Cc1c(F)ccc(Br)c1F ZINC000409944328 823349804 /nfs/dbraw/zinc/34/98/04/823349804.db2.gz RZOAZRSOZPHHEK-UHFFFAOYSA-N 1 0 397.263 4.013 20 0 GIADRO CCc1ccccc1NC(=O)[C@H](C)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000057933015 823348936 /nfs/dbraw/zinc/34/89/36/823348936.db2.gz HIHKJPBEDDIWGR-SFHVURJKSA-N 1 0 397.588 4.279 20 0 GIADRO COc1cc(C[NH2+]C[C@@H](O)c2ccc(OC(F)(F)F)cc2)ccc1SC ZINC000057974005 823351949 /nfs/dbraw/zinc/35/19/49/823351949.db2.gz HEGUTIBCDNPLTH-OAHLLOKOSA-N 1 0 387.423 4.139 20 0 GIADRO COc1ccc(C[NH2+][C@H]2CCN(CC(F)(F)F)C2)cc1OCc1ccccc1 ZINC000057976961 823352399 /nfs/dbraw/zinc/35/23/99/823352399.db2.gz MUMLQGVQHILWRZ-SFHVURJKSA-N 1 0 394.437 4.000 20 0 GIADRO CC(C)c1nn(-c2ccccc2)c(Cl)c1C[NH2+]C1CCN(CC(F)F)CC1 ZINC000057977927 823352407 /nfs/dbraw/zinc/35/24/07/823352407.db2.gz QJXFXGZFGGZVGT-UHFFFAOYSA-N 1 0 396.913 4.468 20 0 GIADRO O=C(Nc1ccc(Br)cc1Cl)N1CC[NH+](C2CCCC2)CC1 ZINC000020543765 818625119 /nfs/dbraw/zinc/62/51/19/818625119.db2.gz HJVACKMUFBZRJX-UHFFFAOYSA-N 1 0 386.721 4.195 20 0 GIADRO Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3CC4(CCC4)Oc4ccccc43)C2=O)cc1 ZINC000189075380 823352686 /nfs/dbraw/zinc/35/26/86/823352686.db2.gz MMSLIUIHJOMWGG-LEWJYISDSA-N 1 0 376.500 4.132 20 0 GIADRO CN(C)[C@H](C[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1)c1ccc(F)cc1 ZINC000572521296 823353250 /nfs/dbraw/zinc/35/32/50/823353250.db2.gz CLVDYUCEYIEBAI-XZOQPEGZSA-N 1 0 381.539 4.215 20 0 GIADRO CC[NH+](CC)[C@H](C(=O)Nc1cccc2nccn21)c1cccc(C(F)(F)F)c1 ZINC000460329107 823355339 /nfs/dbraw/zinc/35/53/39/823355339.db2.gz BVHLQVLACCHCKE-SFHVURJKSA-N 1 0 390.409 4.375 20 0 GIADRO CCc1oc2ccccc2c1C[NH2+]C[C@H](c1cccs1)N1CCN(C)CC1 ZINC000020936634 818641754 /nfs/dbraw/zinc/64/17/54/818641754.db2.gz JPZOFTDLORHYGG-LJQANCHMSA-N 1 0 383.561 4.135 20 0 GIADRO Fc1ccc(Cn2cc(C[NH2+]C[C@@H]3CCCO[C@@H]3c3ccccc3)cn2)cc1 ZINC000189080676 823353840 /nfs/dbraw/zinc/35/38/40/823353840.db2.gz HBHCMUZPNWOVNL-JTHBVZDNSA-N 1 0 379.479 4.328 20 0 GIADRO CCCc1noc2nc(CC)cc(C(=O)N[C@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)c12 ZINC000409959895 823354185 /nfs/dbraw/zinc/35/41/85/823354185.db2.gz MPIUTDXLLKRDIH-CVEARBPZSA-N 1 0 398.551 4.121 20 0 GIADRO Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[NH2+]CCCOC[C@@H]1CCCO1 ZINC000058013621 823354625 /nfs/dbraw/zinc/35/46/25/823354625.db2.gz WJNDZZXKAVJONF-KRWDZBQOSA-N 1 0 398.334 4.163 20 0 GIADRO Clc1snnc1CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000058019041 823354954 /nfs/dbraw/zinc/35/49/54/823354954.db2.gz OZXKWXGTQBKRAU-UHFFFAOYSA-N 1 0 384.936 4.099 20 0 GIADRO CSc1ccc(Cl)c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)c1 ZINC000021319847 818675099 /nfs/dbraw/zinc/67/50/99/818675099.db2.gz XZFPQKHJTNRPPO-UHFFFAOYSA-N 1 0 389.952 4.374 20 0 GIADRO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)CCCc2cccs2)CC1 ZINC000021321251 818675249 /nfs/dbraw/zinc/67/52/49/818675249.db2.gz RYZPRWLORCMWDE-UHFFFAOYSA-N 1 0 377.941 4.115 20 0 GIADRO CC[NH+]1CCC(CNC(=O)Nc2cc(C(C)(C)C)nn2-c2cccc(C)c2)CC1 ZINC000572504495 823350895 /nfs/dbraw/zinc/35/08/95/823350895.db2.gz TXUSQLCMGSSAHG-UHFFFAOYSA-N 1 0 397.567 4.332 20 0 GIADRO O=C(C[NH2+][C@@H]1c2ccccc2CC12CCOCC2)Nc1ccc(F)c(Cl)c1 ZINC000572505735 823351027 /nfs/dbraw/zinc/35/10/27/823351027.db2.gz BITUIKZJCIJMGO-HXUWFJFHSA-N 1 0 388.870 4.101 20 0 GIADRO CC1(C)CC(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)CC(C)(C)[NH2+]1 ZINC000021473083 818692259 /nfs/dbraw/zinc/69/22/59/818692259.db2.gz ZLJYXGJORNBNMF-UHFFFAOYSA-N 1 0 389.927 4.353 20 0 GIADRO Cc1ccccc1-n1ncc(C(=O)NC2CC[NH+](C(C)(C)C)CC2)c1C(C)C ZINC000189092485 823356601 /nfs/dbraw/zinc/35/66/01/823356601.db2.gz HRDRBPLOTKCXJZ-UHFFFAOYSA-N 1 0 382.552 4.297 20 0 GIADRO CCS[C@H]1CC[C@@H](N(C)C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000122457655 823357318 /nfs/dbraw/zinc/35/73/18/823357318.db2.gz BCLZKICJYGCEPD-RTWAWAEBSA-N 1 0 389.609 4.275 20 0 GIADRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)c2cnccc2C(F)(F)F)CC1 ZINC000572540224 823357418 /nfs/dbraw/zinc/35/74/18/823357418.db2.gz USFZICOHYRISKP-UHFFFAOYSA-N 1 0 391.437 4.085 20 0 GIADRO CC(=O)Nc1ccc(C)c(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)c1 ZINC000189103815 823358045 /nfs/dbraw/zinc/35/80/45/823358045.db2.gz ZIBCRRRSIKCBPH-UHFFFAOYSA-N 1 0 393.531 4.259 20 0 GIADRO CC(C)(CNC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)c1cccs1 ZINC000460340087 823358220 /nfs/dbraw/zinc/35/82/20/823358220.db2.gz GQSANJZRMMWYRJ-VQTJNVASSA-N 1 0 397.588 4.189 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1ccc(OC2CCCC2)cc1)Cc1ccccc1 ZINC000058087749 823361310 /nfs/dbraw/zinc/36/13/10/823361310.db2.gz BNKZEQQNSKIFJA-FQEVSTJZSA-N 1 0 381.520 4.302 20 0 GIADRO CNC(=O)c1ccc(C[N@H+](C)Cc2cc(=O)oc3cc(C)c(C(C)C)cc23)cc1 ZINC000058071817 823359372 /nfs/dbraw/zinc/35/93/72/823359372.db2.gz IMXWMBZUNLWPSX-UHFFFAOYSA-N 1 0 392.499 4.216 20 0 GIADRO CCCCOc1ccc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000058093548 823361570 /nfs/dbraw/zinc/36/15/70/823361570.db2.gz XPPCHBYZBDMWHZ-UHFFFAOYSA-N 1 0 396.531 4.269 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)CCC(=O)c2ccc3c(c2)CCC3)cc1 ZINC000021960482 818758992 /nfs/dbraw/zinc/75/89/92/818758992.db2.gz JOMFAINQPNLIAF-UHFFFAOYSA-N 1 0 392.543 4.296 20 0 GIADRO CS(=O)(=O)c1ccc(C[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)cc1Cl ZINC000572558802 823360914 /nfs/dbraw/zinc/36/09/14/823360914.db2.gz OCMNJYALLRTTQN-SFHVURJKSA-N 1 0 388.920 4.392 20 0 GIADRO CCC[N@H+](CCc1ccccn1)Cc1ccc(OC)c(O)c1Br ZINC000572564114 823362124 /nfs/dbraw/zinc/36/21/24/823362124.db2.gz YQKXNTSTHDABNF-UHFFFAOYSA-N 1 0 379.298 4.013 20 0 GIADRO CS[C@@H]1CN(Cc2nc(C)c(-c3ccc(Cl)cc3)o2)C[C@H]1[NH+]1CCCC1 ZINC000460355157 823362357 /nfs/dbraw/zinc/36/23/57/823362357.db2.gz KSGSOXUPLKJQHX-QZTJIDSGSA-N 1 0 391.968 4.315 20 0 GIADRO CC(C)[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cc2c(cc1Cl)OCCCO2 ZINC000460355599 823362416 /nfs/dbraw/zinc/36/24/16/823362416.db2.gz WVMPCYLXEDMQPD-GDBMZVCRSA-N 1 0 380.916 4.244 20 0 GIADRO CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000460361886 823363798 /nfs/dbraw/zinc/36/37/98/823363798.db2.gz XAELIBVPVSJUMD-HXUWFJFHSA-N 1 0 379.589 4.166 20 0 GIADRO Cc1cccn2cc(CC(=O)Nc3cc(F)c(F)cc3N3CCCCC3)nc12 ZINC000572575612 823364302 /nfs/dbraw/zinc/36/43/02/823364302.db2.gz JALACCILMGHGAQ-UHFFFAOYSA-N 1 0 384.430 4.092 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)NCCCCOc1ccc(Cl)cc1)c1cccs1 ZINC000022428096 818805089 /nfs/dbraw/zinc/80/50/89/818805089.db2.gz UFPPVTBEVTWXPL-QGZVFWFLSA-N 1 0 395.956 4.163 20 0 GIADRO O=C(NCCSCc1ccccc1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000022429291 818805789 /nfs/dbraw/zinc/80/57/89/818805789.db2.gz BYKGXXHTZZFSTM-UHFFFAOYSA-N 1 0 397.588 4.405 20 0 GIADRO Cc1noc(C2CCC([NH2+]C[C@@H](C)Oc3ccccc3Br)CC2)n1 ZINC000572578352 823364877 /nfs/dbraw/zinc/36/48/77/823364877.db2.gz PTOVYEDZJQWGFA-LRVUVFPRSA-N 1 0 394.313 4.224 20 0 GIADRO CCCNC(=O)c1cccc(NC(=O)NC[C@@H](c2ccccc2)[NH+](CC)CC)c1 ZINC000058176109 823366880 /nfs/dbraw/zinc/36/68/80/823366880.db2.gz RKCQVFFKHQXWTD-NRFANRHFSA-N 1 0 396.535 4.031 20 0 GIADRO COC(=O)c1c(C[NH2+][C@H](CCO)C(C)C)nc2ccccc2c1-c1ccccc1 ZINC000460354144 823361913 /nfs/dbraw/zinc/36/19/13/823361913.db2.gz SCLCIVZXJKWVEB-LJQANCHMSA-N 1 0 392.499 4.185 20 0 GIADRO C[C@H](Sc1ccc(Cl)cc1)C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000022682551 818842884 /nfs/dbraw/zinc/84/28/84/818842884.db2.gz YLBIYXUOXRXYBW-UGSOOPFHSA-N 1 0 380.916 4.379 20 0 GIADRO CC[C@@H]([NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1)c1nc(C)cs1 ZINC000189162482 823368047 /nfs/dbraw/zinc/36/80/47/823368047.db2.gz PJRFIZGSQXUFHE-JTTJXQCZSA-N 1 0 383.517 4.100 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)c2ccccc2OC[C@@H]2CCCO2)cc1 ZINC000022872403 818869019 /nfs/dbraw/zinc/86/90/19/818869019.db2.gz FKGQNJROYJNTJQ-NRFANRHFSA-N 1 0 396.531 4.016 20 0 GIADRO Brc1ccc(-c2nc(C[NH+]3CCC([C@@H]4CCCO4)CC3)co2)cc1 ZINC000189191552 823373316 /nfs/dbraw/zinc/37/33/16/823373316.db2.gz CHVIZDKAGAJBEP-SFHVURJKSA-N 1 0 391.309 4.495 20 0 GIADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(C)(C)c2csc(-c3cccs3)n2)C1 ZINC000410007819 823370084 /nfs/dbraw/zinc/37/00/84/823370084.db2.gz XTRVZVXFSJLNRW-KBPBESRZSA-N 1 0 377.579 4.138 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(C)cc2-c2nc(C3CC3)no2)C1 ZINC000177095020 823370145 /nfs/dbraw/zinc/37/01/45/823370145.db2.gz SYZFWTAGEPMQLD-INIZCTEOSA-N 1 0 397.523 4.118 20 0 GIADRO Cc1oc(-c2cccs2)nc1CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000022969651 818881874 /nfs/dbraw/zinc/88/18/74/818881874.db2.gz KLBKPNQMRDMKND-UHFFFAOYSA-N 1 0 392.528 4.291 20 0 GIADRO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)C1(c2ccc(F)cc2)CC1 ZINC000023016805 818888226 /nfs/dbraw/zinc/88/82/26/818888226.db2.gz SMVFYAGSQTZGRC-FQEVSTJZSA-N 1 0 386.898 4.464 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)NC2(c3ccc(F)cc3)CCOCC2)cc1 ZINC000410023907 823373461 /nfs/dbraw/zinc/37/34/61/823373461.db2.gz ZGLQJLUJICDBCG-UHFFFAOYSA-N 1 0 384.495 4.103 20 0 GIADRO C[C@H](OC[C@@H](O)C[NH2+]C[C@H]1CSc2ccccc21)c1ccc(Cl)cc1 ZINC000572632361 823371952 /nfs/dbraw/zinc/37/19/52/823371952.db2.gz ZOSWCNNABRNYLX-ZVZYQTTQSA-N 1 0 377.937 4.258 20 0 GIADRO Cc1ncc(C[NH2+]C[C@@H](O)CO[C@@H](c2ccccc2)c2ccc(C)cc2)s1 ZINC000572631993 823371966 /nfs/dbraw/zinc/37/19/66/823371966.db2.gz ODFNNSAFYFZIQK-IRLDBZIGSA-N 1 0 382.529 4.017 20 0 GIADRO CC[N@@H+]1CCC[C@H](CNC(=O)CCCCc2ccc(Br)cc2)C1 ZINC000058274913 823373606 /nfs/dbraw/zinc/37/36/06/823373606.db2.gz GIMFFNGQTMVDLB-QGZVFWFLSA-N 1 0 381.358 4.010 20 0 GIADRO CCCCOc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H]3[C@@H]3CCCOC3)o2)cc1 ZINC000572636857 823372530 /nfs/dbraw/zinc/37/25/30/823372530.db2.gz FEILNJPLOPUQQF-UYAOXDASSA-N 1 0 385.508 4.307 20 0 GIADRO O=C(COC(c1ccccc1)c1ccccc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000058269055 823372827 /nfs/dbraw/zinc/37/28/27/823372827.db2.gz NNKWZWZQIOWIPZ-UHFFFAOYSA-N 1 0 392.543 4.270 20 0 GIADRO O=C(c1cccc(OCc2ccc(Cl)cc2)c1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000572638782 823372960 /nfs/dbraw/zinc/37/29/60/823372960.db2.gz BFFZPPCSFPZHJJ-JOCHJYFZSA-N 1 0 384.907 4.135 20 0 GIADRO COc1ccccc1Oc1ccc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000177110317 823373806 /nfs/dbraw/zinc/37/38/06/823373806.db2.gz CAPYIMPLZNOIJD-FUHWJXTLSA-N 1 0 381.476 4.188 20 0 GIADRO Cc1cc(N2CCC([NH2+][C@H]3CCCOc4cc5c(cc43)CCC5)CC2)nc(C)n1 ZINC000122565717 823373876 /nfs/dbraw/zinc/37/38/76/823373876.db2.gz GUGSDYSYZPISOC-QFIPXVFZSA-N 1 0 392.547 4.054 20 0 GIADRO Cc1cccc(C(C)C)c1NC(=O)CN1CCC[N@H+](Cc2ccccc2)CC1 ZINC000023354673 818926889 /nfs/dbraw/zinc/92/68/89/818926889.db2.gz WFFRHDMOYMBYRY-UHFFFAOYSA-N 1 0 379.548 4.265 20 0 GIADRO CC(=O)c1cccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccc(Cl)cc2Cl)c1 ZINC000023409659 818935556 /nfs/dbraw/zinc/93/55/56/818935556.db2.gz CRCKTXKSKUHYMQ-WBMJQRKESA-N 1 0 382.287 4.287 20 0 GIADRO CC[C@H](C(=O)NCc1csc(-c2ccccc2)n1)[N@H+](C)Cc1ccccc1 ZINC000572650556 823375235 /nfs/dbraw/zinc/37/52/35/823375235.db2.gz KMAQIZFNAIXYCC-HXUWFJFHSA-N 1 0 379.529 4.337 20 0 GIADRO Cc1c2ccc3ccccc3c2oc1C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000023508991 818951087 /nfs/dbraw/zinc/95/10/87/818951087.db2.gz OYADAJHVZFRMGG-HOTGVXAUSA-N 1 0 380.488 4.124 20 0 GIADRO Cc1ccccc1-c1nnc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1C1CC1 ZINC000572654499 823376394 /nfs/dbraw/zinc/37/63/94/823376394.db2.gz FGQZRIFGCKODBG-LAUBAEHRSA-N 1 0 377.536 4.042 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)Nc2c(F)cc(F)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000177121765 823376411 /nfs/dbraw/zinc/37/64/11/823376411.db2.gz JVHFDCHKQPGRJQ-CJNGLKHVSA-N 1 0 377.410 4.279 20 0 GIADRO C[C@@H](CO)[C@H](C)[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000572655257 823376530 /nfs/dbraw/zinc/37/65/30/823376530.db2.gz WZRMMPYZQMRQOY-IRXDYDNUSA-N 1 0 383.923 4.358 20 0 GIADRO CC(=O)Nc1ccc2c(C[N@@H+](C)[C@@H](C)c3ccc(F)c(F)c3)cc(=O)oc2c1 ZINC000023667620 818971841 /nfs/dbraw/zinc/97/18/41/818971841.db2.gz RJAQSNRLWOSNQS-LBPRGKRZSA-N 1 0 386.398 4.223 20 0 GIADRO CC(C)c1ccccc1OC[C@H](O)C[NH2+][C@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000023675057 818972497 /nfs/dbraw/zinc/97/24/97/818972497.db2.gz LFNBDRGPTUSSAJ-DVECYGJZSA-N 1 0 399.531 4.308 20 0 GIADRO Cc1ccc([C@@H](OC[C@H](O)C[NH2+][C@@H](C)c2ccccn2)c2ccccc2)cc1 ZINC000023675511 818972552 /nfs/dbraw/zinc/97/25/52/818972552.db2.gz GZZKXZKCZZJMBE-KWOQKUFVSA-N 1 0 376.500 4.208 20 0 GIADRO CC(C)c1ccccc1OC[C@@H](O)C[NH2+][C@@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000023675060 818972575 /nfs/dbraw/zinc/97/25/75/818972575.db2.gz LFNBDRGPTUSSAJ-YADARESESA-N 1 0 399.531 4.308 20 0 GIADRO CC[C@H]([NH2+]C[C@@H](O)COc1ccc(C(C)=O)cc1OC)c1ccc(Cl)cc1 ZINC000023677879 818973364 /nfs/dbraw/zinc/97/33/64/818973364.db2.gz LXHPIQXRVKGDRV-MOPGFXCFSA-N 1 0 391.895 4.032 20 0 GIADRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(C[NH+](C)C)cc2)CC1 ZINC000023898818 818991984 /nfs/dbraw/zinc/99/19/84/818991984.db2.gz BIZJCBZKDKQAFX-UHFFFAOYSA-N 1 0 396.491 4.145 20 0 GIADRO FC(F)Oc1cc(C[NH2+]Cc2ccc(Cl)c(Br)c2)ccn1 ZINC000572667710 823378833 /nfs/dbraw/zinc/37/88/33/823378833.db2.gz IPTNRORWIZMOQA-UHFFFAOYSA-N 1 0 377.616 4.389 20 0 GIADRO CCc1noc(-c2ccc(C)c(NC(=O)NCCCC[NH+]3CCC(C)CC3)c2)n1 ZINC000177150605 823383783 /nfs/dbraw/zinc/38/37/83/823383783.db2.gz QVUPDFKISQPJKA-UHFFFAOYSA-N 1 0 399.539 4.241 20 0 GIADRO CCCn1c(C)c(C(=O)NCc2ccccc2C[NH+](C)C)c2cc(OC)ccc21 ZINC000024084958 819021154 /nfs/dbraw/zinc/02/11/54/819021154.db2.gz DNPOMMWORDUAFB-UHFFFAOYSA-N 1 0 393.531 4.360 20 0 GIADRO Brc1cccc(-c2cnc(C[NH+]3CCC([C@@H]4CCCO4)CC3)o2)c1 ZINC000189241129 823380340 /nfs/dbraw/zinc/38/03/40/823380340.db2.gz SREUDDSNTFABKN-KRWDZBQOSA-N 1 0 391.309 4.495 20 0 GIADRO COc1ccc([C@H](C)[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)cc1F ZINC000024102497 819024175 /nfs/dbraw/zinc/02/41/75/819024175.db2.gz SUPGTMNFGYFVPD-SMDDNHRTSA-N 1 0 388.266 4.232 20 0 GIADRO COc1ccc(-c2nc(C[N@H+](CCc3ccccc3)[C@@H]3CCOC3)co2)cc1 ZINC000177140924 823380789 /nfs/dbraw/zinc/38/07/89/823380789.db2.gz CUQNDMQSQBAAKA-OAQYLSRUSA-N 1 0 378.472 4.184 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000024183023 819030533 /nfs/dbraw/zinc/03/05/33/819030533.db2.gz QZNDJJURAMZMRS-UHFFFAOYSA-N 1 0 378.438 4.406 20 0 GIADRO COc1ccc(-c2nc(C[N@H+](CCc3ccccc3)[C@H]3CCOC3)co2)cc1 ZINC000177140940 823380888 /nfs/dbraw/zinc/38/08/88/823380888.db2.gz CUQNDMQSQBAAKA-NRFANRHFSA-N 1 0 378.472 4.184 20 0 GIADRO COc1ccc2c(c1F)CC[C@H]2[NH2+]Cc1ccc(NC(=O)c2ccncc2)cc1 ZINC000572678454 823380925 /nfs/dbraw/zinc/38/09/25/823380925.db2.gz SEUVOOBNTGUHRD-HXUWFJFHSA-N 1 0 391.446 4.259 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)N2C[C@@H](C)O[C@H](c3ccccc3)C2)cc1 ZINC000410053175 823381036 /nfs/dbraw/zinc/38/10/36/823381036.db2.gz LJZDLFYVJMHQBM-XXBNENTESA-N 1 0 395.547 4.200 20 0 GIADRO Cc1sc([C@@H](C)NC(=O)NC[C@@H]2CCC[N@@H+]2C)nc1-c1ccc(Cl)cc1 ZINC000122611212 823381167 /nfs/dbraw/zinc/38/11/67/823381167.db2.gz LFUMUIBLEDIRPL-WBMJQRKESA-N 1 0 392.956 4.226 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)c2cc(NC(=O)CC(C)(C)C)ccc2Cl)C[N@@H+]1C1CC1 ZINC000177151306 823384047 /nfs/dbraw/zinc/38/40/47/823384047.db2.gz VUPZUAOBKITSDX-HIFRSBDPSA-N 1 0 391.943 4.070 20 0 GIADRO CC[C@H]([NH2+]CC(=O)N[C@H](C)c1cc(OC)ccc1OC)c1ccc(Cl)cc1 ZINC000024254635 819039567 /nfs/dbraw/zinc/03/95/67/819039567.db2.gz RFDXVRNZQRGHGM-KUHUBIRLSA-N 1 0 390.911 4.275 20 0 GIADRO CC[C@@H]([NH2+]CC(=O)Nc1cccc(N2CCCC2=O)c1)c1ccc(Cl)cc1 ZINC000024255595 819040174 /nfs/dbraw/zinc/04/01/74/819040174.db2.gz MNQBJHDUHCQKOW-LJQANCHMSA-N 1 0 385.895 4.146 20 0 GIADRO C[C@H](CCc1cccn1C)[NH2+][C@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000122612951 823381697 /nfs/dbraw/zinc/38/16/97/823381697.db2.gz YOKCMJRTBKOGRS-HUUCEWRRSA-N 1 0 381.442 4.372 20 0 GIADRO CC[NH+](CC)Cc1ccc(-c2nc(-c3cccc(Cn4ccnc4)c3)no2)cc1 ZINC000572680658 823381803 /nfs/dbraw/zinc/38/18/03/823381803.db2.gz VGIZJCRMMPOEAQ-UHFFFAOYSA-N 1 0 387.487 4.490 20 0 GIADRO Cc1nc2cc(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)ccc2n1Cc1ccsc1 ZINC000410069371 823383294 /nfs/dbraw/zinc/38/32/94/823383294.db2.gz QHOLNFJMRNBDKC-OAHLLOKOSA-N 1 0 398.576 4.161 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(C(F)(F)F)nc1C)c1ccccc1 ZINC000024555985 819070914 /nfs/dbraw/zinc/07/09/14/819070914.db2.gz DAMGCKREPCCHJT-KRWDZBQOSA-N 1 0 379.426 4.222 20 0 GIADRO CC(C)(C)c1nnc(N2CCC[C@@H]([NH+]3CCCC3)CC2)n1CCc1ccccc1 ZINC000460421058 823383686 /nfs/dbraw/zinc/38/36/86/823383686.db2.gz HKEWNZMLMDHVIE-OAQYLSRUSA-N 1 0 395.595 4.273 20 0 GIADRO C[C@@H](NC(=O)C(C)(C)COCc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000410076567 823385060 /nfs/dbraw/zinc/38/50/60/823385060.db2.gz PQMWMAJIYNXSJS-NFBKMPQASA-N 1 0 394.559 4.256 20 0 GIADRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)c1cncc(-c2ccccc2)c1 ZINC000177155247 823385406 /nfs/dbraw/zinc/38/54/06/823385406.db2.gz GDQHBAVNZGGEDH-UHFFFAOYSA-N 1 0 385.511 4.186 20 0 GIADRO CCC(CC)(CCO)NC(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000572702345 823385623 /nfs/dbraw/zinc/38/56/23/823385623.db2.gz AALLSKCXXJVEJR-UHFFFAOYSA-N 1 0 375.557 4.024 20 0 GIADRO COc1ccccc1OC[C@@H](C)C[NH2+]Cc1ccc(C)cc1-c1ccnn1C ZINC000572702679 823385764 /nfs/dbraw/zinc/38/57/64/823385764.db2.gz SCMLAPLTYHYKFV-SFHVURJKSA-N 1 0 379.504 4.209 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)CCOc2cccc(Cl)c2)CC1 ZINC000058400237 823386188 /nfs/dbraw/zinc/38/61/88/823386188.db2.gz MYDLUWJUAZOWSV-UHFFFAOYSA-N 1 0 386.923 4.198 20 0 GIADRO Cc1ccc([C@H](CNC(=O)c2cc(O)ccc2C(F)(F)F)[NH+]2CCCC2)cc1 ZINC000189286705 823387098 /nfs/dbraw/zinc/38/70/98/823387098.db2.gz YGPJHUUMEYQPID-IBGZPJMESA-N 1 0 392.421 4.286 20 0 GIADRO CC(C)c1ccccc1-n1c(SC[C@H](C)[NH+](C)C)nnc1-c1cccnc1 ZINC000460431721 823387320 /nfs/dbraw/zinc/38/73/20/823387320.db2.gz WZKBOPHKOXEFAU-INIZCTEOSA-N 1 0 381.549 4.495 20 0 GIADRO Cc1ccc(CC[N@H+](CCC(=O)Nc2cc(N)ccc2F)Cc2ccco2)cc1 ZINC000177161689 823387360 /nfs/dbraw/zinc/38/73/60/823387360.db2.gz QDPLMGMXMDJQNE-UHFFFAOYSA-N 1 0 395.478 4.383 20 0 GIADRO CSc1ccccc1[C@@H](C)NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000410102963 823392423 /nfs/dbraw/zinc/39/24/23/823392423.db2.gz YPTPQLUOOCDBHI-MRXNPFEDSA-N 1 0 384.549 4.080 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCC2CCC(F)(F)CC2)CC1 ZINC000410106750 823393583 /nfs/dbraw/zinc/39/35/83/823393583.db2.gz QOYCQMQQONPMPY-INIZCTEOSA-N 1 0 379.495 4.337 20 0 GIADRO O=C([C@H]1CC[N@H+](Cc2ccccc2)C1)N(CCc1ccccc1)Cc1cccnc1 ZINC000572732559 823390250 /nfs/dbraw/zinc/39/02/50/823390250.db2.gz IBEOUFJSUIVITH-VWLOTQADSA-N 1 0 399.538 4.175 20 0 GIADRO Cc1cc(CNC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)ccc1Oc1ccc(F)cc1 ZINC000058437046 823391203 /nfs/dbraw/zinc/39/12/03/823391203.db2.gz JJJKOMXLQIHUHE-LJQANCHMSA-N 1 0 399.510 4.456 20 0 GIADRO Cc1ccccc1C(C)(C)[NH2+]CC(=O)N[C@H](c1nccs1)c1ccccc1 ZINC000572740298 823391241 /nfs/dbraw/zinc/39/12/41/823391241.db2.gz PVIFDWMBWJSERV-FQEVSTJZSA-N 1 0 379.529 4.182 20 0 GIADRO Cc1cccc([C@@H](C)C(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)c1 ZINC000122671273 823391558 /nfs/dbraw/zinc/39/15/58/823391558.db2.gz NDGXGTVQJWKJAU-UXHICEINSA-N 1 0 380.532 4.115 20 0 GIADRO CC[NH+](CC)CCOc1ccc(C(=O)N2CCCc3cc(F)c(F)cc32)cc1 ZINC000058457241 823394576 /nfs/dbraw/zinc/39/45/76/823394576.db2.gz YGXCOWUTUBQDBH-UHFFFAOYSA-N 1 0 388.458 4.278 20 0 GIADRO COc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000122697549 823396675 /nfs/dbraw/zinc/39/66/75/823396675.db2.gz XPKYDEBFICDYSL-KBPBESRZSA-N 1 0 396.409 4.314 20 0 GIADRO C[C@H](C(=O)N(Cc1ccc(F)cc1)CC(F)(F)F)[N@H+](C)Cc1ccccc1 ZINC000460459853 823397030 /nfs/dbraw/zinc/39/70/30/823397030.db2.gz LKEXOQYQDVCKIC-OAHLLOKOSA-N 1 0 382.401 4.237 20 0 GIADRO COc1cc(C[NH2+]CC(C)(C)c2ccc3c(c2)OCCO3)cc(Cl)c1OC ZINC000058476725 823397351 /nfs/dbraw/zinc/39/73/51/823397351.db2.gz DUPIZMQJGOSVQD-UHFFFAOYSA-N 1 0 391.895 4.196 20 0 GIADRO Cc1ccc(NC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)c(Br)c1 ZINC000058522714 823403574 /nfs/dbraw/zinc/40/35/74/823403574.db2.gz UXGQFAKSGHANCA-OAHLLOKOSA-N 1 0 382.346 4.391 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(CN2CCCC2=O)c1)c1ccc(Br)cc1 ZINC000177211851 823400204 /nfs/dbraw/zinc/40/02/04/823400204.db2.gz KCKLTXYLYSBTNZ-OAHLLOKOSA-N 1 0 387.321 4.422 20 0 GIADRO C[C@H](Cc1ccncc1)[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000572796655 823400203 /nfs/dbraw/zinc/40/02/03/823400203.db2.gz SZTZOQNGUKVBCY-LLVKDONJSA-N 1 0 384.115 4.327 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(-n2cccn2)cc1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000122722462 823400511 /nfs/dbraw/zinc/40/05/11/823400511.db2.gz IUXFAZXIDBXERC-YADARESESA-N 1 0 391.515 4.287 20 0 GIADRO CCC[C@@]1(CO)CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000572797825 823400614 /nfs/dbraw/zinc/40/06/14/823400614.db2.gz IELIYOWXVWZXQF-FDDCHVKYSA-N 1 0 382.504 4.290 20 0 GIADRO C[NH+]1CCC([C@H]2CCN(C(=O)Nc3ccc(Oc4cccnc4)cc3)C2)CC1 ZINC000572798438 823400977 /nfs/dbraw/zinc/40/09/77/823400977.db2.gz BXCVBONVGQDIEB-SFHVURJKSA-N 1 0 380.492 4.070 20 0 GIADRO Cc1ccc([C@H](C)NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1F ZINC000460476556 823402178 /nfs/dbraw/zinc/40/21/78/823402178.db2.gz CATFUOAPOOSJHW-NYVOZVTQSA-N 1 0 395.522 4.359 20 0 GIADRO CCOC(=O)N1CCC([C@H](C)[NH2+]Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000189376666 823403877 /nfs/dbraw/zinc/40/38/77/823403877.db2.gz FGRMVVLEUIFORY-AWEZNQCLSA-N 1 0 391.512 4.296 20 0 GIADRO CC(C)C[C@H](CNC(=O)c1cccc2c1CC(=O)CC2)[NH2+][C@@H](C)c1ccccc1 ZINC000572805901 823402577 /nfs/dbraw/zinc/40/25/77/823402577.db2.gz NGGIFGNEQBBZSF-GHTZIAJQSA-N 1 0 392.543 4.240 20 0 GIADRO COc1ccc([C@H]([NH2+]C[C@@](C)(O)C(F)(F)F)C(C)C)c(Br)c1 ZINC000572805249 823402651 /nfs/dbraw/zinc/40/26/51/823402651.db2.gz KDBMFNPNAAFIEV-ZIAGYGMSSA-N 1 0 384.236 4.058 20 0 GIADRO CC(=O)c1ccc(NC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000058519852 823403248 /nfs/dbraw/zinc/40/32/48/823403248.db2.gz NVJJDOYRUGUNBQ-QGZVFWFLSA-N 1 0 379.504 4.443 20 0 GIADRO C[NH+](C)CCOc1ccccc1CNC(=O)c1cc(F)c(Cl)cc1Cl ZINC000122746904 823404779 /nfs/dbraw/zinc/40/47/79/823404779.db2.gz MQUBJHMUBVQQRI-UHFFFAOYSA-N 1 0 385.266 4.003 20 0 GIADRO COc1cccc(C[NH2+][C@H](C)[C@H](OC2CCOCC2)c2ccccc2)c1OC ZINC000122751719 823405798 /nfs/dbraw/zinc/40/57/98/823405798.db2.gz BVJZYXAYPVITAG-VGSWGCGISA-N 1 0 385.504 4.119 20 0 GIADRO COc1ccc(OCc2nc(C[NH2+]CCc3nc(C)c(C)s3)cs2)cc1 ZINC000122754863 823406319 /nfs/dbraw/zinc/40/63/19/823406319.db2.gz LUQUQDSTKDWDKZ-UHFFFAOYSA-N 1 0 389.546 4.136 20 0 GIADRO FC(F)Oc1cc(-c2noc([C@@H]3CCC[N@H+](Cc4ccccc4)C3)n2)ccn1 ZINC000410168280 823408711 /nfs/dbraw/zinc/40/87/11/823408711.db2.gz ZGZHVGVBXOBYIE-MRXNPFEDSA-N 1 0 386.402 4.113 20 0 GIADRO Cc1ccsc1[C@H](Cc1ccccc1)[NH2+][C@@H](C)C(=O)Nc1c(C)nn(C)c1C ZINC000122762003 823407569 /nfs/dbraw/zinc/40/75/69/823407569.db2.gz VYTUDNBYAPULTA-LPHOPBHVSA-N 1 0 396.560 4.307 20 0 GIADRO CN(C(=O)Nc1ccc(OC(F)(F)F)c(Cl)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000572840097 823408172 /nfs/dbraw/zinc/40/81/72/823408172.db2.gz NQLJOBHVRFCRHB-FUNVUKJBSA-N 1 0 391.821 4.328 20 0 GIADRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCSc3cc(Cl)ccc3Cl)[C@H]2C1 ZINC000572864032 823410871 /nfs/dbraw/zinc/41/08/71/823410871.db2.gz PZIVJWPMWLWOOD-JLJPHGGASA-N 1 0 387.376 4.322 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@@H](C)c2cc3ccccc3o2)cc1 ZINC000189414203 823411043 /nfs/dbraw/zinc/41/10/43/823411043.db2.gz DMRRWPQCWITDGB-INIZCTEOSA-N 1 0 393.487 4.091 20 0 GIADRO COc1ccccc1C[C@@H]1CCCN1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000058574192 823411637 /nfs/dbraw/zinc/41/16/37/823411637.db2.gz WNJOLYVBROHGSV-QFIPXVFZSA-N 1 0 399.579 4.066 20 0 GIADRO Cc1ccc(OCCC[N@@H+](C)C2CCN(CCc3ccccn3)CC2)cc1C ZINC000177257510 823411641 /nfs/dbraw/zinc/41/16/41/823411641.db2.gz GKCPNWSDVUQCJE-UHFFFAOYSA-N 1 0 381.564 4.106 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)C1(c2ccccc2)CCC1)c1cccc(OC)c1 ZINC000058585868 823412843 /nfs/dbraw/zinc/41/28/43/823412843.db2.gz FCPRTAXIXMQJCB-QFIPXVFZSA-N 1 0 380.532 4.316 20 0 GIADRO C[NH+](C)CC[C@@H](NC(=O)c1nc2ccccc2cc1Br)C(C)(C)C ZINC000572878091 823412912 /nfs/dbraw/zinc/41/29/12/823412912.db2.gz OLNCCAXIMXDYMZ-MRXNPFEDSA-N 1 0 392.341 4.094 20 0 GIADRO CCOC(=O)c1csc(CC[NH2+][C@@H]2CCCc3c4cc(C)ccc4[nH]c32)n1 ZINC000572879126 823412955 /nfs/dbraw/zinc/41/29/55/823412955.db2.gz QOYKKHLSEAJDIB-QGZVFWFLSA-N 1 0 383.517 4.319 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(-n2cccn2)c1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000122771558 823409416 /nfs/dbraw/zinc/40/94/16/823409416.db2.gz PCLHZOJOSLGXKJ-CYFREDJKSA-N 1 0 391.515 4.287 20 0 GIADRO COCC[N@H+](Cc1ccco1)Cc1cc(Br)cc2cccnc21 ZINC000177251786 823409879 /nfs/dbraw/zinc/40/98/79/823409879.db2.gz RLDQJQHAOJCTDN-UHFFFAOYSA-N 1 0 375.266 4.239 20 0 GIADRO COc1ccc(S[C@H](C)C(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000177252320 823410035 /nfs/dbraw/zinc/41/00/35/823410035.db2.gz FXSSBRVVLKFAIF-MRXNPFEDSA-N 1 0 376.566 4.089 20 0 GIADRO CC(C)(C)C(=O)Nc1ccccc1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177253845 823410249 /nfs/dbraw/zinc/41/02/49/823410249.db2.gz OBVLTBJLCQZLJB-UHFFFAOYSA-N 1 0 385.552 4.198 20 0 GIADRO CC1(C)CN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)CC[C@@H]1C(F)(F)F ZINC000189433668 823415104 /nfs/dbraw/zinc/41/51/04/823415104.db2.gz RRLICIZEACOGMH-KRWDZBQOSA-N 1 0 389.506 4.404 20 0 GIADRO CCC[NH+]1CCC(NC(=O)c2ccccc2C(=O)c2ccc(C)c(C)c2)CC1 ZINC000058603104 823415259 /nfs/dbraw/zinc/41/52/59/823415259.db2.gz UJXVBLZHYZIMAU-UHFFFAOYSA-N 1 0 378.516 4.139 20 0 GIADRO CCCOc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000177269568 823416128 /nfs/dbraw/zinc/41/61/28/823416128.db2.gz SOPWICRJIZYECO-DLBZAZTESA-N 1 0 390.549 4.138 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)C1(c2cccc(F)c2)CCC1)c1cccc(OC)c1 ZINC000058612633 823416930 /nfs/dbraw/zinc/41/69/30/823416930.db2.gz LZFHDFNQSLBBHC-QFIPXVFZSA-N 1 0 398.522 4.455 20 0 GIADRO CCc1cccc(CC)c1NC(=O)NC1CC[NH+](CCc2ccncc2)CC1 ZINC000122814412 823417033 /nfs/dbraw/zinc/41/70/33/823417033.db2.gz XASAIWATJMBCRP-UHFFFAOYSA-N 1 0 380.536 4.035 20 0 GIADRO O=C(NCc1ccc(F)cc1C(F)(F)F)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000410199799 823417548 /nfs/dbraw/zinc/41/75/48/823417548.db2.gz QPYVRRUUNRAZLC-MRXNPFEDSA-N 1 0 399.388 4.074 20 0 GIADRO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)N(CCC(F)(F)F)CC1CC1 ZINC000177274562 823417614 /nfs/dbraw/zinc/41/76/14/823417614.db2.gz GNXIUHIISVDNAL-SFHVURJKSA-N 1 0 383.458 4.025 20 0 GIADRO Fc1ccc(C[N@H+](CCc2ccccn2)Cc2ccc(-n3ccnc3)nc2)cc1 ZINC000177275754 823418267 /nfs/dbraw/zinc/41/82/67/823418267.db2.gz XGKVODKQNMTBAL-UHFFFAOYSA-N 1 0 387.462 4.046 20 0 GIADRO C[C@H]([NH2+]CCCNC(=O)c1cccc(F)c1)c1cccc(Br)c1 ZINC000410214721 823422113 /nfs/dbraw/zinc/42/21/13/823422113.db2.gz IHFXKRWQZCQEPD-ZDUSSCGKSA-N 1 0 379.273 4.059 20 0 GIADRO CC[C@H]([NH2+][C@H]1CCOc2c(C)cccc21)c1ccccc1OCC(=O)N(C)C ZINC000189464565 823422484 /nfs/dbraw/zinc/42/24/84/823422484.db2.gz NVVUMFMGVSTUDF-PMACEKPBSA-N 1 0 382.504 4.027 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCN(c2ccccc2F)C1=O)c1cccc(Br)c1 ZINC000410218632 823422993 /nfs/dbraw/zinc/42/29/93/823422993.db2.gz VGZVSUINRZSHGI-WBMJQRKESA-N 1 0 377.257 4.044 20 0 GIADRO FC(F)(F)CN1CCC(C[NH2+]Cc2c[nH]nc2-c2cccc(Cl)c2)CC1 ZINC000189469281 823424062 /nfs/dbraw/zinc/42/40/62/823424062.db2.gz ZJGUIVFNBBTFLI-UHFFFAOYSA-N 1 0 386.849 4.094 20 0 GIADRO Cc1cc(C)c(N2CC[C@H]([NH2+][C@@H](C)CC(=O)Nc3ccccc3C)C2=O)c(C)c1 ZINC000189454161 823420378 /nfs/dbraw/zinc/42/03/78/823420378.db2.gz CICGACFDVAXBCI-FPOVZHCZSA-N 1 0 393.531 4.032 20 0 GIADRO C[C@H]([NH2+][C@@H](CCO)C1CCOCC1)c1ccc(-c2c(F)cccc2F)cc1 ZINC000572924879 823420780 /nfs/dbraw/zinc/42/07/80/823420780.db2.gz KKGBXCFRUNSQCY-BTYIYWSLSA-N 1 0 375.459 4.460 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)CC(Cc2ccccc2)Cc2ccccc2)CC[N@@H+]1C ZINC000177298679 823425456 /nfs/dbraw/zinc/42/54/56/823425456.db2.gz LMBZKQJNZMHASJ-YKSBVNFPSA-N 1 0 378.560 4.419 20 0 GIADRO COc1cc(NC(=O)CC[NH2+][C@@H]2CC[C@H]3CCC[C@@H]3C2)c(OC)cc1Cl ZINC000572953214 823426280 /nfs/dbraw/zinc/42/62/80/823426280.db2.gz DIXYNGAMMZLVDC-RBSFLKMASA-N 1 0 380.916 4.244 20 0 GIADRO CC(C)(C)OCc1cc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)no1 ZINC000572959909 823426828 /nfs/dbraw/zinc/42/68/28/823426828.db2.gz IGIVUWHWSKYQIP-LJQANCHMSA-N 1 0 383.536 4.277 20 0 GIADRO C[NH+](C)Cc1ccccc1CNC(=O)CCCc1ccccc1Br ZINC000410229201 823426967 /nfs/dbraw/zinc/42/69/67/823426967.db2.gz ZCUDOGIRILGLGY-UHFFFAOYSA-N 1 0 389.337 4.150 20 0 GIADRO C[C@H]1C[C@@H](NC(=O)c2cc(O)ccc2C(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000189483801 823427439 /nfs/dbraw/zinc/42/74/39/823427439.db2.gz REDGULXCQNZUBT-HOCLYGCPSA-N 1 0 392.421 4.194 20 0 GIADRO COc1c(Br)c(C)sc1C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000177307007 823428254 /nfs/dbraw/zinc/42/82/54/823428254.db2.gz GUQBYCRAXJFKHQ-UHFFFAOYSA-N 1 0 397.338 4.450 20 0 GIADRO C[C@@H](NC(=O)[C@H](c1ccc(Cl)cc1)N(C)C)c1nc(C2CCCCC2)no1 ZINC000572971342 823428224 /nfs/dbraw/zinc/42/82/24/823428224.db2.gz BEQOUDJZZVXSGB-DYVFJYSZSA-N 1 0 390.915 4.251 20 0 GIADRO COc1cccc(C2(F)CCN(C(=O)[C@H](C)[N@H+](C)Cc3ccccc3)CC2)c1 ZINC000410233020 823428574 /nfs/dbraw/zinc/42/85/74/823428574.db2.gz YWQFQBSFGLYVKQ-SFHVURJKSA-N 1 0 384.495 4.003 20 0 GIADRO COc1ccc(CC[NH2+][C@H](C)c2cc(OC)c(OC)c(OC)c2)c(Cl)c1 ZINC000122884862 823428710 /nfs/dbraw/zinc/42/87/10/823428710.db2.gz NYCNJQBAEMENIB-CYBMUJFWSA-N 1 0 379.884 4.268 20 0 GIADRO COc1cc(C(C)=O)ccc1OCCCC(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000177310301 823428960 /nfs/dbraw/zinc/42/89/60/823428960.db2.gz FHAKTBAGQOVGDP-UHFFFAOYSA-N 1 0 398.503 4.066 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ncc(-c2ccc(Br)cc2)o1 ZINC000177315120 823430725 /nfs/dbraw/zinc/43/07/25/823430725.db2.gz KJHLYAZUBCNOLG-SJORKVTESA-N 1 0 390.325 4.163 20 0 GIADRO CC(C)Oc1ccc(CNC(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000410239452 823430840 /nfs/dbraw/zinc/43/08/40/823430840.db2.gz TUZKXDOPALFLSN-OALUTQOASA-N 1 0 375.557 4.031 20 0 GIADRO O=C(CCCCc1nc2ccccc2s1)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000572999571 823431820 /nfs/dbraw/zinc/43/18/20/823431820.db2.gz JMDFGDLPFQNBLN-IBGZPJMESA-N 1 0 379.529 4.012 20 0 GIADRO COc1cc([C@@H](C)[NH2+]C2CCC(c3ccccc3)CC2)ccc1S(C)(=O)=O ZINC000122904766 823432007 /nfs/dbraw/zinc/43/20/07/823432007.db2.gz HHZGHSWNIQOMIP-PPDQVPDSSA-N 1 0 387.545 4.476 20 0 GIADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Nc1cccc(NC(=O)C2CCCCC2)c1 ZINC000177321531 823432551 /nfs/dbraw/zinc/43/25/51/823432551.db2.gz USKRJHCTYXBYOU-QGZVFWFLSA-N 1 0 386.540 4.011 20 0 GIADRO OC[C@]1(Cc2ccc(F)cc2)CC[N@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000573019751 823434680 /nfs/dbraw/zinc/43/46/80/823434680.db2.gz JTKGLJWGUKMEPZ-QFIPXVFZSA-N 1 0 399.897 4.092 20 0 GIADRO Cc1[nH]c2ccccc2c1CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000024631823 819857376 /nfs/dbraw/zinc/85/73/76/819857376.db2.gz FRLIFQNMCYPMRD-UHFFFAOYSA-N 1 0 375.516 4.321 20 0 GIADRO CC(=O)c1ccc(NC(=O)CC[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cc1 ZINC000024668378 819863647 /nfs/dbraw/zinc/86/36/47/819863647.db2.gz CABCLDYYVJGIPA-SFHVURJKSA-N 1 0 391.471 4.239 20 0 GIADRO CCC[N@H+](CCc1ccc(OC)cc1)CC(=O)Nc1ccc(F)c(F)c1F ZINC000024797146 819877579 /nfs/dbraw/zinc/87/75/79/819877579.db2.gz ABXRMIKSVBOPLO-UHFFFAOYSA-N 1 0 380.410 4.006 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)C1 ZINC000177329619 823435381 /nfs/dbraw/zinc/43/53/81/823435381.db2.gz UKAPQQFEPHVVTJ-KRWDZBQOSA-N 1 0 386.540 4.011 20 0 GIADRO C[N@H+](CCC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc2c(c1)OCCO2 ZINC000024897940 819891006 /nfs/dbraw/zinc/89/10/06/819891006.db2.gz JNGOSYDJGQCJHC-UHFFFAOYSA-N 1 0 395.286 4.225 20 0 GIADRO O=C(Nc1cccc(NC(=O)C2CCCCC2)c1)NC1CC[NH+](CC2CC2)CC1 ZINC000177332240 823436396 /nfs/dbraw/zinc/43/63/96/823436396.db2.gz VDYYRSPUHKREDT-UHFFFAOYSA-N 1 0 398.551 4.201 20 0 GIADRO CC(C)[NH2+]C1CCN(C(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)CC1 ZINC000177332579 823436403 /nfs/dbraw/zinc/43/64/03/823436403.db2.gz QINZCGUHZXJMKB-UHFFFAOYSA-N 1 0 386.540 4.200 20 0 GIADRO O=C(c1ccccc1)C1CC[NH+](CCCc2nc(-c3ccccc3)no2)CC1 ZINC000025055831 819916264 /nfs/dbraw/zinc/91/62/64/819916264.db2.gz AKNCSIQKMOFGSQ-UHFFFAOYSA-N 1 0 375.472 4.264 20 0 GIADRO C/C=C/c1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2c2cccc(OC)c2)c(OC)c1 ZINC000025069072 819920180 /nfs/dbraw/zinc/92/01/80/819920180.db2.gz RZCDIYMYTKIYMX-QSULTMIOSA-N 1 0 397.515 4.314 20 0 GIADRO O=C(c1cc(-c2ccccc2Cl)n[nH]1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000025081402 819922155 /nfs/dbraw/zinc/92/21/55/819922155.db2.gz GQIRUUPEDKYKLC-UHFFFAOYSA-N 1 0 394.906 4.078 20 0 GIADRO COc1cnccc1[C@H](C)NC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000189540771 823440645 /nfs/dbraw/zinc/44/06/45/823440645.db2.gz NMNIEYJGDSPRJP-SFHVURJKSA-N 1 0 389.499 4.213 20 0 GIADRO Cc1ccsc1-c1nnc(N2CCC[C@@H]([NH+]3CCCC3)CC2)n1CC(C)C ZINC000460572602 823439176 /nfs/dbraw/zinc/43/91/76/823439176.db2.gz JTKCTHYTTIAYAK-GOSISDBHSA-N 1 0 387.597 4.426 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)COc3c(C)cc(C)cc3C)c(C)c2)CC1 ZINC000025185817 819940862 /nfs/dbraw/zinc/94/08/62/819940862.db2.gz BAZMXPGSIGFPHC-UHFFFAOYSA-N 1 0 395.547 4.080 20 0 GIADRO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000122969079 823441605 /nfs/dbraw/zinc/44/16/05/823441605.db2.gz RWRWUCFYFSCVKU-HSZRJFAPSA-N 1 0 397.563 4.017 20 0 GIADRO CCN(CCC[NH+]1CCCC1)C(=O)Nc1ccc(-c2nc(C(C)C)no2)cc1 ZINC000189548640 823441616 /nfs/dbraw/zinc/44/16/16/823441616.db2.gz VWCXSCFQPBUJGT-UHFFFAOYSA-N 1 0 385.512 4.200 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)CSc1nc(-c2ccccc2)cs1)c1ccccc1 ZINC000025320398 819961865 /nfs/dbraw/zinc/96/18/65/819961865.db2.gz NEWYOCWLXRCBKS-IBGZPJMESA-N 1 0 397.569 4.321 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)COc1ccc2oc3c(c2c1)CCCC3)c1ccsc1 ZINC000025329417 819964073 /nfs/dbraw/zinc/96/40/73/819964073.db2.gz ATRGLAZULJNYKY-LJQANCHMSA-N 1 0 398.528 4.171 20 0 GIADRO Cc1ccc(-c2nc(CC(=O)NC[C@@H](c3ccsc3)[NH+](C)C)cs2)cc1 ZINC000025330830 819964136 /nfs/dbraw/zinc/96/41/36/819964136.db2.gz CMCXRHJWLFXIDS-SFHVURJKSA-N 1 0 385.558 4.142 20 0 GIADRO CCOC(=O)[C@]1(C(C)C)CC[N@@H+]([C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)C1 ZINC000573057770 823441823 /nfs/dbraw/zinc/44/18/23/823441823.db2.gz WRZTURVRFXZIPO-HTAPYJJXSA-N 1 0 385.508 4.326 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1cccnc1Sc1ccccc1)c1ccsc1 ZINC000025332053 819964398 /nfs/dbraw/zinc/96/43/98/819964398.db2.gz BSZJTFCFDXQRSG-SFHVURJKSA-N 1 0 383.542 4.327 20 0 GIADRO C[C@H]([NH2+]CCC(=O)NC(=O)Nc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000025366458 819970641 /nfs/dbraw/zinc/97/06/41/819970641.db2.gz IQQIXZCMPAGCCL-ZDUSSCGKSA-N 1 0 379.382 4.094 20 0 GIADRO CC(C)(C)OC(=O)N1CCC([NH2+]C[C@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000177350557 823442520 /nfs/dbraw/zinc/44/25/20/823442520.db2.gz ANDZNJXRAGHLQS-INIZCTEOSA-N 1 0 389.323 4.016 20 0 GIADRO COc1cc(OC)cc([C@H](O)C[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)c1 ZINC000177350253 823442541 /nfs/dbraw/zinc/44/25/41/823442541.db2.gz RREWJJXLBGEEJV-DHIUTWEWSA-N 1 0 381.447 4.256 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)CSCc3ccccc3C)cc2)CC1 ZINC000025440397 819980607 /nfs/dbraw/zinc/98/06/07/819980607.db2.gz HTRBWGINSGUZRW-UHFFFAOYSA-N 1 0 383.561 4.009 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)COc1ccc(C(C)C)cc1)[NH+]1CCCC1 ZINC000025457620 819984673 /nfs/dbraw/zinc/98/46/73/819984673.db2.gz LNVQIKONGRLCQX-JOCHJYFZSA-N 1 0 396.531 4.151 20 0 GIADRO C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000573068962 823443218 /nfs/dbraw/zinc/44/32/18/823443218.db2.gz PKLZWCBPEXIESI-BXUZGUMPSA-N 1 0 382.348 4.252 20 0 GIADRO CC(C)(CNC(=O)C1(c2ccc(Cl)cc2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000025459738 819985272 /nfs/dbraw/zinc/98/52/72/819985272.db2.gz GPVOCCIBHACOQN-UHFFFAOYSA-N 1 0 382.935 4.325 20 0 GIADRO Oc1cc2c(cc1C[N@H+](Cc1cccc(Br)c1)C1CC1)OCO2 ZINC000025479581 819989174 /nfs/dbraw/zinc/98/91/74/819989174.db2.gz OXCINNKNKBVMCQ-UHFFFAOYSA-N 1 0 376.250 4.048 20 0 GIADRO Cc1nc(COC(C)(C)C)oc1C(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000573094360 823446599 /nfs/dbraw/zinc/44/65/99/823446599.db2.gz OGOMCVNTPXBICQ-LJQANCHMSA-N 1 0 399.535 4.035 20 0 GIADRO Cc1ccc2c(CC(=O)NC[C@H](C)[N@@H+]3CCc4ccccc4C3)coc2c1C ZINC000025630315 820008713 /nfs/dbraw/zinc/00/87/13/820008713.db2.gz FKZWMHRYVFIINL-KRWDZBQOSA-N 1 0 376.500 4.155 20 0 GIADRO C[C@@H](CNC(=O)c1cc(Cl)nc2ccccc21)[N@@H+]1CCc2ccccc2C1 ZINC000025634793 820008930 /nfs/dbraw/zinc/00/89/30/820008930.db2.gz UOUPAGGEHDQALY-HNNXBMFYSA-N 1 0 379.891 4.065 20 0 GIADRO C[C@@H](CNC(=O)CCCc1c[nH]c2ccccc12)[N@@H+]1CCc2ccccc2C1 ZINC000025633280 820009432 /nfs/dbraw/zinc/00/94/32/820009432.db2.gz SSNBQYCYDHSTPD-SFHVURJKSA-N 1 0 375.516 4.054 20 0 GIADRO Cc1nc(-c2ccccc2)ccc1C(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000025638032 820009650 /nfs/dbraw/zinc/00/96/50/820009650.db2.gz OGQLVUJHFVVCAR-GOSISDBHSA-N 1 0 385.511 4.234 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CN[C@H](C)c1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000025702859 820016323 /nfs/dbraw/zinc/01/63/23/820016323.db2.gz NCCRSPRNEFXNNZ-OAHLLOKOSA-N 1 0 398.576 4.294 20 0 GIADRO Cc1nc(CN2C[C@@H](F)C[C@H]2C[NH2+][C@@H](C)CCc2c(F)cccc2F)cs1 ZINC000573109138 823449147 /nfs/dbraw/zinc/44/91/47/823449147.db2.gz ALFBEUXTFGMCGF-QRTARXTBSA-N 1 0 397.510 4.253 20 0 GIADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@@H]1CCc2ccc(-c3ccccc3)cc21 ZINC000189577317 823449367 /nfs/dbraw/zinc/44/93/67/823449367.db2.gz CYCQWWLDDBFERV-RPWUZVMVSA-N 1 0 392.543 4.250 20 0 GIADRO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)c1ccccc1-n1cccn1 ZINC000177380284 823449611 /nfs/dbraw/zinc/44/96/11/823449611.db2.gz XMDDCESAFSCFJV-QBUWPKIASA-N 1 0 396.535 4.453 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)NC(=O)Nc2cccc(OCCF)c2)cc1 ZINC000123024678 823449801 /nfs/dbraw/zinc/44/98/01/823449801.db2.gz HGVMUBCYYZSLTC-OAHLLOKOSA-N 1 0 382.439 4.412 20 0 GIADRO COc1ccc([C@@H](C)N(C)C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000026164522 820065350 /nfs/dbraw/zinc/06/53/50/820065350.db2.gz WCOABGLBUVLKQS-GOSISDBHSA-N 1 0 395.547 4.235 20 0 GIADRO CCOc1ccc(/C=C(\C#N)C(=O)NCc2ccc(C[NH+](CC)CC)cc2)cc1 ZINC000026285229 820077921 /nfs/dbraw/zinc/07/79/21/820077921.db2.gz JCSBUZKJBAUMTQ-PXLXIMEGSA-N 1 0 391.515 4.150 20 0 GIADRO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]Cc2ccc3c(c2)OCO3)o1 ZINC000026302613 820079773 /nfs/dbraw/zinc/07/97/73/820079773.db2.gz XOFXNJPEDMPKTP-UHFFFAOYSA-N 1 0 387.439 4.459 20 0 GIADRO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCNC(=O)C(C)C)c(C)c1 ZINC000026309492 820080953 /nfs/dbraw/zinc/08/09/53/820080953.db2.gz KMCVXZVDNKCPDE-UHFFFAOYSA-N 1 0 390.531 4.018 20 0 GIADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cc3ccccc3o2)cc1 ZINC000026311455 820081514 /nfs/dbraw/zinc/08/15/14/820081514.db2.gz SLELNQFOHPCVNL-INIZCTEOSA-N 1 0 386.517 4.314 20 0 GIADRO COc1cc(C[NH2+]CCc2ccc3c(c2)OCO3)ccc1OCc1cccs1 ZINC000026317330 820082009 /nfs/dbraw/zinc/08/20/09/820082009.db2.gz GZIZMHXLKGZIGR-UHFFFAOYSA-N 1 0 397.496 4.397 20 0 GIADRO Cn1cc(C[NH2+]Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)c(C(C)(C)C)n1 ZINC000189582475 823451444 /nfs/dbraw/zinc/45/14/44/823451444.db2.gz JZJMHQDNYLECAI-UHFFFAOYSA-N 1 0 398.551 4.258 20 0 GIADRO Cc1ccc(-c2nc(C(=O)N3CCC[N@H+](Cc4ccccc4)CC3)cs2)cc1 ZINC000026356880 820088383 /nfs/dbraw/zinc/08/83/83/820088383.db2.gz LWOVYBRBCRJERW-UHFFFAOYSA-N 1 0 391.540 4.467 20 0 GIADRO CC1CC[NH+](Cc2ccc(CNC(=O)N(C)CCOc3ccccc3)cc2)CC1 ZINC000026381676 820092101 /nfs/dbraw/zinc/09/21/01/820092101.db2.gz YQFASBNWDJLTKA-UHFFFAOYSA-N 1 0 395.547 4.139 20 0 GIADRO Cc1ccc([C@H]2OCCC[C@@H]2C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000177391224 823452242 /nfs/dbraw/zinc/45/22/42/823452242.db2.gz BALGBFSRMRAEML-TZIWHRDSSA-N 1 0 388.552 4.452 20 0 GIADRO COc1ccc2c(C[N@@H+]3CCC[C@H]3CC(=O)c3cccs3)cc(=O)oc2c1 ZINC000177391516 823452291 /nfs/dbraw/zinc/45/22/91/823452291.db2.gz NOXHDWBRMXCARE-HNNXBMFYSA-N 1 0 383.469 4.101 20 0 GIADRO COCC[N@H+](CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)C1CCCC1 ZINC000026447159 820097838 /nfs/dbraw/zinc/09/78/38/820097838.db2.gz WPJPCBPHKOVNMB-UHFFFAOYSA-N 1 0 379.715 4.476 20 0 GIADRO Cc1cnc([C@H](C)NC(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)s1 ZINC000177393650 823452551 /nfs/dbraw/zinc/45/25/51/823452551.db2.gz LOWPOHMCQSEUMV-YOEHRIQHSA-N 1 0 392.956 4.302 20 0 GIADRO O=C(C[N@@H+]1CCC[C@H]1c1cccs1)NCc1ccc(OC(F)(F)F)cc1 ZINC000026484539 820103962 /nfs/dbraw/zinc/10/39/62/820103962.db2.gz DKXRSSXEHAYCKH-HNNXBMFYSA-N 1 0 384.423 4.100 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@H](C)c1cccc(NC(C)=O)c1)CC3 ZINC000123054320 823454086 /nfs/dbraw/zinc/45/40/86/823454086.db2.gz MLKLPVYKTZSHRH-KDOFPFPSSA-N 1 0 377.488 4.343 20 0 GIADRO Cc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)cc1-n1cccc1 ZINC000026567724 820115226 /nfs/dbraw/zinc/11/52/26/820115226.db2.gz DYVIIJPSXIWKLW-UHFFFAOYSA-N 1 0 388.515 4.098 20 0 GIADRO O[C@]1(C[NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)CCC[C@H](C(F)(F)F)C1 ZINC000189598063 823455275 /nfs/dbraw/zinc/45/52/75/823455275.db2.gz TUAFQRUICAUJIG-WMLDXEAASA-N 1 0 387.833 4.099 20 0 GIADRO O[C@H](COc1ccc2ccccc2c1)C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000026715729 820136298 /nfs/dbraw/zinc/13/62/98/820136298.db2.gz CCGCACQOQUCTRD-UNMCSNQZSA-N 1 0 397.540 4.322 20 0 GIADRO O[C@@]1(C[NH2+]Cc2ccc(F)cc2Br)CCC[C@H](C(F)(F)F)C1 ZINC000189601131 823455685 /nfs/dbraw/zinc/45/56/85/823455685.db2.gz SOFRPZZEKWJGAA-FZMZJTMJSA-N 1 0 384.211 4.161 20 0 GIADRO COC(=O)[C@@H](C)[C@H]([NH2+]Cc1ccc(OCc2ccccn2)cc1)c1ccccc1 ZINC000177412064 823455984 /nfs/dbraw/zinc/45/59/84/823455984.db2.gz XGEHCGSCKRKJPL-MBSDFSHPSA-N 1 0 390.483 4.301 20 0 GIADRO COC(=O)[C@H](C)[C@@H]([NH2+]Cc1cc(=O)oc2cc(C)c(C)cc12)c1ccccc1 ZINC000177412590 823456205 /nfs/dbraw/zinc/45/62/05/823456205.db2.gz YNBRJIAJDRBVIK-OPAMFIHVSA-N 1 0 379.456 4.050 20 0 GIADRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)COCCc2ccccc2)C1 ZINC000058809028 823456187 /nfs/dbraw/zinc/45/61/87/823456187.db2.gz YVYYIWMGCRQZEG-SFTDATJTSA-N 1 0 394.559 4.040 20 0 GIADRO Cc1nc(-c2ccccc2)ccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000026856975 820154065 /nfs/dbraw/zinc/15/40/65/820154065.db2.gz VPEWSNWYYYHHLV-UHFFFAOYSA-N 1 0 386.499 4.061 20 0 GIADRO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000573158063 823456906 /nfs/dbraw/zinc/45/69/06/823456906.db2.gz JLTFIYGRQOWCMK-WHSLLNHNSA-N 1 0 387.474 4.330 20 0 GIADRO COC(=O)[C@@H](C)[C@H]([NH2+]Cc1ccc(OCC(F)(F)F)cc1)c1ccccc1 ZINC000177418932 823458185 /nfs/dbraw/zinc/45/81/85/823458185.db2.gz NWIDTEHOECDUHG-KSSFIOAISA-N 1 0 381.394 4.268 20 0 GIADRO O[C@]1(C[NH2+]Cc2ccc(F)c(Br)c2)CCC[C@H](C(F)(F)F)C1 ZINC000189612759 823458202 /nfs/dbraw/zinc/45/82/02/823458202.db2.gz OLCPKFHRKMZPCU-SMDDNHRTSA-N 1 0 384.211 4.161 20 0 GIADRO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)NC(=O)CO2 ZINC000027033655 820183239 /nfs/dbraw/zinc/18/32/39/820183239.db2.gz SPVXIDRKENIFBN-JYJNAYRXSA-N 1 0 395.503 4.209 20 0 GIADRO O=C(Nc1ccc(F)cc1)[C@H]([NH2+]C[C@@H]1Cc2ccccc2O1)c1ccccc1 ZINC000027032618 820183375 /nfs/dbraw/zinc/18/33/75/820183375.db2.gz QPPWDBZTVZIBGE-RBBKRZOGSA-N 1 0 376.431 4.099 20 0 GIADRO Cc1ccccc1C(C)(C)C(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000058796949 823453862 /nfs/dbraw/zinc/45/38/62/823453862.db2.gz TZCCKVCOESKPGS-WOJBJXKFSA-N 1 0 394.559 4.198 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)N(Cc2ccc(F)cc2)C2CC2)CC1 ZINC000410314976 823460396 /nfs/dbraw/zinc/46/03/96/823460396.db2.gz PYPZMJIKHKMMIY-UHFFFAOYSA-N 1 0 395.522 4.473 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@H](c2ccccc2)C2CC2)CC1 ZINC000410317278 823461155 /nfs/dbraw/zinc/46/11/55/823461155.db2.gz KGWVOEDDBQQHLK-HSZRJFAPSA-N 1 0 377.532 4.410 20 0 GIADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000058842767 823461357 /nfs/dbraw/zinc/46/13/57/823461357.db2.gz CTDLTABQFDYABI-ZIAGYGMSSA-N 1 0 375.340 4.387 20 0 GIADRO c1c(C[NH2+]C[C@@H]2Cc3ccccc3O2)c(-c2cccnc2)nn1-c1ccccc1 ZINC000027220372 820211482 /nfs/dbraw/zinc/21/14/82/820211482.db2.gz GXNIOPWYABAFJI-QFIPXVFZSA-N 1 0 382.467 4.028 20 0 GIADRO COc1ccc(C(=O)Nc2cccc(C[NH2+]C[C@@H]3Cc4ccccc4O3)c2)cc1 ZINC000027220379 820211808 /nfs/dbraw/zinc/21/18/08/820211808.db2.gz ZGLHLHKGEZTMKG-QFIPXVFZSA-N 1 0 388.467 4.041 20 0 GIADRO Cc1ccccc1[C@H]([C@@H](C)[NH2+][C@H](C)c1ccc(Br)cn1)N(C)C ZINC000573178850 823461872 /nfs/dbraw/zinc/46/18/72/823461872.db2.gz RQVZRPHZEQRODT-CLCXKQKWSA-N 1 0 376.342 4.495 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)C1(c2ccc(OC)cc2)CCCC1)c1ccco1 ZINC000058877999 823465034 /nfs/dbraw/zinc/46/50/34/823465034.db2.gz UVPJZPIMHMULBO-HXUWFJFHSA-N 1 0 384.520 4.299 20 0 GIADRO O=C(NCc1cccc2ccccc21)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000410319719 823461999 /nfs/dbraw/zinc/46/19/99/823461999.db2.gz VNFHQMAEXHWOJR-UHFFFAOYSA-N 1 0 376.525 4.319 20 0 GIADRO C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000177438380 823462287 /nfs/dbraw/zinc/46/22/87/823462287.db2.gz NNMNVYFQSVEHQI-OAHLLOKOSA-N 1 0 382.470 4.407 20 0 GIADRO COc1cccc([C@H](CNC(=O)c2ccc(-n3cccc3)cc2)[NH+]2CCCC2)c1 ZINC000027341465 820227989 /nfs/dbraw/zinc/22/79/89/820227989.db2.gz OJBKLNXXNUFAGI-QHCPKHFHSA-N 1 0 389.499 4.053 20 0 GIADRO CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000027349511 820229045 /nfs/dbraw/zinc/22/90/45/820229045.db2.gz RYNVWHDUUSEXES-GOSISDBHSA-N 1 0 378.419 4.146 20 0 GIADRO COc1ccccc1-c1nc(C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)cs1 ZINC000058877871 823465162 /nfs/dbraw/zinc/46/51/62/823465162.db2.gz CTCQVRUTXDSBEF-LJQANCHMSA-N 1 0 395.528 4.160 20 0 GIADRO CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH2+]Cc1ccc(NC(N)=O)cc1 ZINC000123106253 823463298 /nfs/dbraw/zinc/46/32/98/823463298.db2.gz MAOFIKDPRYJTJL-UHFFFAOYSA-N 1 0 391.519 4.009 20 0 GIADRO O=C(COc1ccc(C(F)(F)F)cc1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000058879838 823465449 /nfs/dbraw/zinc/46/54/49/823465449.db2.gz YDQYTNUVTPHBPG-UHFFFAOYSA-N 1 0 398.469 4.199 20 0 GIADRO COc1ccc(Cl)cc1CN1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000027426399 820243308 /nfs/dbraw/zinc/24/33/08/820243308.db2.gz MNMUTFMNPWWNMO-UHFFFAOYSA-N 1 0 381.907 4.215 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1=O)c1cc2cc(Br)ccc2o1 ZINC000573206025 823465332 /nfs/dbraw/zinc/46/53/32/823465332.db2.gz OJBUHVHGVBDQHI-BXUZGUMPSA-N 1 0 379.298 4.245 20 0 GIADRO CC[C@H](C[NH2+][C@@H](C)c1ccc(OC)c(NC(C)=O)c1)N1CCc2ccccc2C1 ZINC000123115722 823464556 /nfs/dbraw/zinc/46/45/56/823464556.db2.gz VJXRPDRBHJTDBX-HTAPYJJXSA-N 1 0 395.547 4.141 20 0 GIADRO COc1ccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)c(F)c1 ZINC000027573958 820261361 /nfs/dbraw/zinc/26/13/61/820261361.db2.gz XVYBMTHDZOIZOC-SFHVURJKSA-N 1 0 376.497 4.099 20 0 GIADRO O=C([C@@H]1COc2ccc(Cl)cc2C1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000058879760 823465476 /nfs/dbraw/zinc/46/54/76/823465476.db2.gz QGQQTXAJUNTZMW-IBGZPJMESA-N 1 0 390.955 4.006 20 0 GIADRO O=C(c1ccc(OCC(F)(F)F)cc1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000058879387 823465483 /nfs/dbraw/zinc/46/54/83/823465483.db2.gz TZBLCUALKZDTGT-UHFFFAOYSA-N 1 0 398.469 4.356 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(OC)cc1F)c1ccccc1Cl ZINC000027578996 820262808 /nfs/dbraw/zinc/26/28/08/820262808.db2.gz IMVCNUZVMCCLCI-IBGZPJMESA-N 1 0 378.875 4.301 20 0 GIADRO Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000027602905 820265741 /nfs/dbraw/zinc/26/57/41/820265741.db2.gz LWOMWGZNTSOALU-DOTOQJQBSA-N 1 0 392.952 4.431 20 0 GIADRO CC1CC[NH+](Cc2ccc(CNC(=O)N3CCC[C@@H]3c3cccn3C)cc2)CC1 ZINC000410334193 823466073 /nfs/dbraw/zinc/46/60/73/823466073.db2.gz BQTPGJKYIQWENW-HSZRJFAPSA-N 1 0 394.563 4.304 20 0 GIADRO COc1ccc([C@@H](CNC(=O)CCCc2cccs2)[NH+]2CCCCC2)cc1 ZINC000027667170 820272760 /nfs/dbraw/zinc/27/27/60/820272760.db2.gz DBTSXQRNOPUKQO-OAQYLSRUSA-N 1 0 386.561 4.423 20 0 GIADRO COc1ccc([C@H](CNC(=O)CCCOc2ccccc2)[NH+]2CCCCC2)cc1 ZINC000027667594 820273019 /nfs/dbraw/zinc/27/30/19/820273019.db2.gz HYJJAYCZNPHECG-QHCPKHFHSA-N 1 0 396.531 4.198 20 0 GIADRO Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N(CC[NH+](C)C)CC(C)C ZINC000058884618 823466458 /nfs/dbraw/zinc/46/64/58/823466458.db2.gz SQKPQOBINPTMDI-UHFFFAOYSA-N 1 0 379.957 4.432 20 0 GIADRO O=C(NC1CC[NH+](C2CCCC2)CC1)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000177458712 823467334 /nfs/dbraw/zinc/46/73/34/823467334.db2.gz CPVFSMYAKXRHRF-MSOLQXFVSA-N 1 0 396.453 4.212 20 0 GIADRO CC1CC[NH+](Cc2ccc(CNC(=O)N3CCC[C@H]3c3cccnc3)cc2)CC1 ZINC000410340304 823467381 /nfs/dbraw/zinc/46/73/81/823467381.db2.gz LONUKDLEMXOSRQ-QHCPKHFHSA-N 1 0 392.547 4.360 20 0 GIADRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)c1ccc(Cl)c2cccnc12 ZINC000027936647 820299349 /nfs/dbraw/zinc/29/93/49/820299349.db2.gz IMWPVOJFLFKBPK-UHFFFAOYSA-N 1 0 393.918 4.325 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCn3cccc3[C@@H]2C)cc1 ZINC000410343696 823468436 /nfs/dbraw/zinc/46/84/36/823468436.db2.gz HFZZUWHYPIEYSB-OALUTQOASA-N 1 0 380.536 4.149 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N(C)CCOc2ccccc2)cc1 ZINC000410343470 823468490 /nfs/dbraw/zinc/46/84/90/823468490.db2.gz GYGIODVDJVDYBL-HXUWFJFHSA-N 1 0 395.547 4.281 20 0 GIADRO CO[C@H](CNC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1ccccc1 ZINC000410354366 823471450 /nfs/dbraw/zinc/47/14/50/823471450.db2.gz PNWXZQYOPGJIBG-WMZHIEFXSA-N 1 0 395.547 4.105 20 0 GIADRO CO[C@H](CNC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)c1ccccc1 ZINC000410346683 823469171 /nfs/dbraw/zinc/46/91/71/823469171.db2.gz KECXZKOGLYWYIM-WMZHIEFXSA-N 1 0 395.547 4.248 20 0 GIADRO Cc1cc(NC(=O)C2CC[NH+](CCOc3ccc(C(C)C)c(C)c3)CC2)no1 ZINC000028142215 820313812 /nfs/dbraw/zinc/31/38/12/820313812.db2.gz MPBBADIQUWXNMS-UHFFFAOYSA-N 1 0 385.508 4.144 20 0 GIADRO CC1CC[NH+](Cc2ccccc2CNC(=O)N2CCn3cccc3[C@@H]2C)CC1 ZINC000410346818 823469424 /nfs/dbraw/zinc/46/94/24/823469424.db2.gz LCIMHCGFBITNJP-IBGZPJMESA-N 1 0 380.536 4.006 20 0 GIADRO COc1cccc([C@@H]2[C@@H](NC(=O)Nc3cc(C4CC4)ccn3)CC[N@@H+]2C2CC2)c1 ZINC000573255968 823471511 /nfs/dbraw/zinc/47/15/11/823471511.db2.gz SQCMJSDXANPNRF-RBBKRZOGSA-N 1 0 392.503 4.067 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2cc(=O)oc3cc4c(cc23)CCC4)c1 ZINC000028336343 820326207 /nfs/dbraw/zinc/32/62/07/820326207.db2.gz VRUPJZWBVJEXFS-CQSZACIVSA-N 1 0 376.456 4.091 20 0 GIADRO CCCN(Cc1ccc(C)cc1)C(=O)C[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000058918415 823470262 /nfs/dbraw/zinc/47/02/62/823470262.db2.gz QTHADQZWICZSNK-VWLOTQADSA-N 1 0 394.559 4.179 20 0 GIADRO COc1ccc(NC(=O)[C@@H]([NH2+]CCOc2ccc(F)cc2)c2ccccc2)cc1 ZINC000028388829 820331667 /nfs/dbraw/zinc/33/16/67/820331667.db2.gz FBESVTXUJZIJAU-QFIPXVFZSA-N 1 0 394.446 4.183 20 0 GIADRO CC[C@@H](CNC(=O)N(C)Cc1cccc(Cl)c1)[N@@H+]1CCc2ccccc2C1 ZINC000028391706 820331906 /nfs/dbraw/zinc/33/19/06/820331906.db2.gz GVEJPRYZQVYZPI-NRFANRHFSA-N 1 0 385.939 4.318 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)N[C@@H](C)Cc1cccs1)c1cccc(OC)c1 ZINC000028413886 820334663 /nfs/dbraw/zinc/33/46/63/820334663.db2.gz NEOGBDJOTSYKEV-JXFKEZNVSA-N 1 0 389.565 4.070 20 0 GIADRO C[C@H]1C[C@H](NC(=O)c2cc(F)cc3[nH]c(=S)[nH]c32)CC[N@@H+]1Cc1ccccc1 ZINC000177474083 823470766 /nfs/dbraw/zinc/47/07/66/823470766.db2.gz ONOBDGLPAOHBPD-XJKSGUPXSA-N 1 0 398.507 4.147 20 0 GIADRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)N(C)C3CCCCCC3)cc2)C[C@@H](C)O1 ZINC000410352139 823470974 /nfs/dbraw/zinc/47/09/74/823470974.db2.gz IENDOMQIDLVMLI-RTBURBONSA-N 1 0 387.568 4.160 20 0 GIADRO O=C(NCc1ccc2sccc2c1)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000573260739 823472432 /nfs/dbraw/zinc/47/24/32/823472432.db2.gz IWZZDWOLDOJQSA-HXUWFJFHSA-N 1 0 393.556 4.265 20 0 GIADRO CC(C)(C(=O)N1CCC([NH+]2CCCCC2)CC1)c1ccc(Br)cc1 ZINC000058935745 823472804 /nfs/dbraw/zinc/47/28/04/823472804.db2.gz ZHYULIYNZUMQTM-UHFFFAOYSA-N 1 0 393.369 4.204 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Nc1cnn([C@@H](C)C2CC2)c1)c1cccc(OC)c1 ZINC000189674072 823472841 /nfs/dbraw/zinc/47/28/41/823472841.db2.gz FLGRZXHREVOJMG-HRAATJIYSA-N 1 0 399.539 4.067 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+][C@H](C)C[C@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC000177484057 823473037 /nfs/dbraw/zinc/47/30/37/823473037.db2.gz LNMOBQACXKUJEF-GQIGUUNPSA-N 1 0 389.540 4.474 20 0 GIADRO Cn1c(-c2ccccc2)cn(CN2CC[NH+](CCc3ccccc3)CC2)c1=S ZINC000028812634 820360198 /nfs/dbraw/zinc/36/01/98/820360198.db2.gz QVWPRUKOJMTRMH-UHFFFAOYSA-N 1 0 392.572 4.041 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCc3ccccc3C2)C1 ZINC000410359203 823473404 /nfs/dbraw/zinc/47/34/04/823473404.db2.gz LZQYKYICFDMGEV-LJQANCHMSA-N 1 0 377.532 4.186 20 0 GIADRO C[C@@H]1C[NH+](CCC2CCN(Cc3ncc(-c4cccs4)o3)CC2)C[C@@H](C)O1 ZINC000177484279 823473435 /nfs/dbraw/zinc/47/34/35/823473435.db2.gz LMFBUTSKFRMANC-IAGOWNOFSA-N 1 0 389.565 4.114 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCc4sccc4C3)cc2)C1 ZINC000410358784 823473465 /nfs/dbraw/zinc/47/34/65/823473465.db2.gz IOVAFLQKEYESSV-QGZVFWFLSA-N 1 0 383.561 4.248 20 0 GIADRO CCc1ccc([C@@H](CNC(=O)Cc2csc(-c3ccc(C)o3)n2)[NH+](C)C)cc1 ZINC000028841033 820362918 /nfs/dbraw/zinc/36/29/18/820362918.db2.gz CJVRNYDJKQHMJA-LJQANCHMSA-N 1 0 397.544 4.236 20 0 GIADRO C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[NH+]1CCC(OCC2CCCC2)CC1 ZINC000177488373 823474122 /nfs/dbraw/zinc/47/41/22/823474122.db2.gz XNGIUNYWQSDJNI-KRWDZBQOSA-N 1 0 376.516 4.016 20 0 GIADRO COCc1ccccc1C[NH2+]Cc1cccc(NC(=O)c2ccc(OC)cc2)c1 ZINC000028926393 820374476 /nfs/dbraw/zinc/37/44/76/820374476.db2.gz WMUMBQCWYHGGPF-UHFFFAOYSA-N 1 0 390.483 4.384 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)Cc3c[nH]c4ccccc34)cc2)C1 ZINC000058948514 823474314 /nfs/dbraw/zinc/47/43/14/823474314.db2.gz XYYOLZMXQHSCQL-GOSISDBHSA-N 1 0 375.516 4.259 20 0 GIADRO COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]Cc2ccc(C(N)=O)cc2)cc1 ZINC000123179566 823474909 /nfs/dbraw/zinc/47/49/09/823474909.db2.gz BRGGUVCOGCPCNK-JOCHJYFZSA-N 1 0 378.447 4.007 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000058952374 823474914 /nfs/dbraw/zinc/47/49/14/823474914.db2.gz UBJOPCVFIVPYGN-HGZMWJMZSA-N 1 0 393.487 4.156 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Nc2ccccc2N(C)C)C1 ZINC000410363706 823475083 /nfs/dbraw/zinc/47/50/83/823475083.db2.gz WSYXGDVOTDJWAJ-GOSISDBHSA-N 1 0 380.536 4.306 20 0 GIADRO COc1cc(F)ccc1NC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000410364190 823475110 /nfs/dbraw/zinc/47/51/10/823475110.db2.gz YKGUCFXMPZQXCU-INIZCTEOSA-N 1 0 385.483 4.388 20 0 GIADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C3(c4ccc(Cl)cc4)CC3)cc2)CC1 ZINC000058954363 823475307 /nfs/dbraw/zinc/47/53/07/823475307.db2.gz SRRSQEWOLOSANL-UHFFFAOYSA-N 1 0 397.950 4.148 20 0 GIADRO CCc1cccc(NC(=O)NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)c1 ZINC000410365622 823475852 /nfs/dbraw/zinc/47/58/52/823475852.db2.gz DYWTVTCLRRVXAW-ROUUACIJSA-N 1 0 381.520 4.180 20 0 GIADRO CCc1cccc(NC(=O)NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000410365620 823475905 /nfs/dbraw/zinc/47/59/05/823475905.db2.gz DYWTVTCLRRVXAW-HDICACEKSA-N 1 0 381.520 4.180 20 0 GIADRO CC[C@@H](c1ccncc1)N(C)C(=O)NC1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000123187511 823476001 /nfs/dbraw/zinc/47/60/01/823476001.db2.gz GEJNHTNABZMMPX-QFIPXVFZSA-N 1 0 380.536 4.147 20 0 GIADRO CCOc1ccccc1NC(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000410365225 823476006 /nfs/dbraw/zinc/47/60/06/823476006.db2.gz CWFHCRIHQIYDSS-ROUUACIJSA-N 1 0 397.519 4.016 20 0 GIADRO O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(Br)s1 ZINC000029177679 820406179 /nfs/dbraw/zinc/40/61/79/820406179.db2.gz YSBXCXSLAAQPNJ-AWEZNQCLSA-N 1 0 379.323 4.078 20 0 GIADRO CCOc1ccc(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)cc1OCC ZINC000029177493 820406345 /nfs/dbraw/zinc/40/63/45/820406345.db2.gz NMCZEOYVKFBJOH-HXUWFJFHSA-N 1 0 382.504 4.051 20 0 GIADRO Cc1cc(C)n(-c2ccc(C(=O)N[C@@H](C[NH+]3CCCC3)c3ccccc3)cc2)n1 ZINC000029177631 820406499 /nfs/dbraw/zinc/40/64/99/820406499.db2.gz ILUCSFAFHJWSBJ-QHCPKHFHSA-N 1 0 388.515 4.056 20 0 GIADRO Cc1nc2cc(F)ccc2cc1C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000029179104 820406956 /nfs/dbraw/zinc/40/69/56/820406956.db2.gz QBFPDZRJQZIQNV-JOCHJYFZSA-N 1 0 377.463 4.249 20 0 GIADRO Cc1oc(-c2ccccc2)nc1CC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000029179349 820407974 /nfs/dbraw/zinc/40/79/74/820407974.db2.gz CXZQQRBLZLOFPL-QFIPXVFZSA-N 1 0 389.499 4.146 20 0 GIADRO CC1CCC(N(C)C(=O)NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)CC1 ZINC000410366770 823476523 /nfs/dbraw/zinc/47/65/23/823476523.db2.gz RDQSHXSBIVMUER-IDPGXWOASA-N 1 0 387.568 4.016 20 0 GIADRO CC1CCC(N(C)C(=O)NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000410366769 823476651 /nfs/dbraw/zinc/47/66/51/823476651.db2.gz RDQSHXSBIVMUER-DBAFAGGRSA-N 1 0 387.568 4.016 20 0 GIADRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)N(C)CC3CCCCC3)cc2)C[C@@H](C)O1 ZINC000410368482 823477055 /nfs/dbraw/zinc/47/70/55/823477055.db2.gz UHEAVJNOZBOQCA-RTBURBONSA-N 1 0 387.568 4.018 20 0 GIADRO CC1CC[NH+](CCCCNC(=O)CCC(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000058967755 823477099 /nfs/dbraw/zinc/47/70/99/823477099.db2.gz SPXTUNHJKUCDJH-UHFFFAOYSA-N 1 0 384.564 4.157 20 0 GIADRO Cc1nc(C(=O)N(C)CCC[N@H+](C)Cc2ccncc2)c(-c2ccccc2)s1 ZINC000573258043 823471794 /nfs/dbraw/zinc/47/17/94/823471794.db2.gz QWZHYFCGFJBHQG-UHFFFAOYSA-N 1 0 394.544 4.108 20 0 GIADRO COc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCSc4ccccc43)CC2)cc1 ZINC000460693889 823482985 /nfs/dbraw/zinc/48/29/85/823482985.db2.gz WHRGTJNABDYZDX-OAQYLSRUSA-N 1 0 396.556 4.009 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N(C)Cc3ccccc3F)cc2)C1 ZINC000410370100 823478014 /nfs/dbraw/zinc/47/80/14/823478014.db2.gz ANGMPFPWIBMTAD-SFHVURJKSA-N 1 0 383.511 4.399 20 0 GIADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)Nc1cccc(OCCF)c1 ZINC000123238764 823483615 /nfs/dbraw/zinc/48/36/15/823483615.db2.gz WZEPRMBWXPWEDV-QGZVFWFLSA-N 1 0 377.485 4.055 20 0 GIADRO C[C@@H]1C[N@@H+](CCC2CCN(Cc3csc(-c4ccco4)n3)CC2)C[C@H](C)O1 ZINC000177505404 823479019 /nfs/dbraw/zinc/47/90/19/823479019.db2.gz OBFSITVWJHMCRF-CALCHBBNSA-N 1 0 389.565 4.114 20 0 GIADRO C[C@H]1C[NH+](CCC2CCN(Cc3coc(-c4ccccc4)n3)CC2)C[C@H](C)O1 ZINC000177509246 823479328 /nfs/dbraw/zinc/47/93/28/823479328.db2.gz RSDDTQFIFONKDB-OALUTQOASA-N 1 0 383.536 4.053 20 0 GIADRO Cc1cc2[nH]c(C(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3C)cc2c(C)c1 ZINC000029371200 820445041 /nfs/dbraw/zinc/44/50/41/820445041.db2.gz HBEOBPOLPUPPFK-UHFFFAOYSA-N 1 0 376.504 4.097 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(OC(C)C)cc3)c(C)c2)CC1 ZINC000029374880 820445826 /nfs/dbraw/zinc/44/58/26/820445826.db2.gz DZQQZIPEGLLMKM-UHFFFAOYSA-N 1 0 381.520 4.176 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(COC(C)C)cc3)c(C)c2)CC1 ZINC000029376739 820446437 /nfs/dbraw/zinc/44/64/37/820446437.db2.gz GWZDNJPWWGHHIR-UHFFFAOYSA-N 1 0 395.547 4.314 20 0 GIADRO C[C@H](C1CC1)n1cc(NC(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cn1 ZINC000189714610 823480729 /nfs/dbraw/zinc/48/07/29/823480729.db2.gz VDDBZBBXASJFIL-ALKREAHSSA-N 1 0 387.553 4.120 20 0 GIADRO COc1cc(F)c(C[NH2+][C@H](C)c2ccc(OC(C)C)c(OC)c2)cc1OC ZINC000573330109 823480727 /nfs/dbraw/zinc/48/07/27/823480727.db2.gz FZSUNAYQLAHDPX-CQSZACIVSA-N 1 0 377.456 4.490 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)C1 ZINC000177518330 823481014 /nfs/dbraw/zinc/48/10/14/823481014.db2.gz GOQSDJZVABWRST-QGZVFWFLSA-N 1 0 395.507 4.136 20 0 GIADRO Cc1cccc(COc2ccc(CNC(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)c1 ZINC000410387490 823483437 /nfs/dbraw/zinc/48/34/37/823483437.db2.gz GRDTVUCQBWZKFP-VXKWHMMOSA-N 1 0 393.531 4.000 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1cc2cc(C)ccc2[nH]1)c1cccc(OC)c1 ZINC000029603566 820483249 /nfs/dbraw/zinc/48/32/49/820483249.db2.gz UEEFCAAXNVRSJC-QFIPXVFZSA-N 1 0 379.504 4.298 20 0 GIADRO Cc1cc(Br)cc(C)c1NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000177528257 823482895 /nfs/dbraw/zinc/48/28/95/823482895.db2.gz SNNBFYNDMIVJFY-OAHLLOKOSA-N 1 0 380.330 4.016 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)C1 ZINC000177528708 823482920 /nfs/dbraw/zinc/48/29/20/823482920.db2.gz CZXXQFZDFZOPHY-GOSISDBHSA-N 1 0 394.519 4.135 20 0 GIADRO C[C@@H]1CCc2[nH]c3ccc(C(=O)NC[C@H](c4cccs4)[NH+](C)C)cc3c2C1 ZINC000029694522 820498666 /nfs/dbraw/zinc/49/86/66/820498666.db2.gz KGXCEARLTZFZHG-JLTOFOAXSA-N 1 0 381.545 4.387 20 0 GIADRO CC[NH+](CC)CC(=O)Nc1cccc(NCc2c[nH]nc2-c2cccs2)c1 ZINC000573358402 823484031 /nfs/dbraw/zinc/48/40/31/823484031.db2.gz KEGDFRAYGRSRPF-UHFFFAOYSA-N 1 0 383.521 4.031 20 0 GIADRO C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1Cc1nnc(-c2ccc(Br)o2)o1 ZINC000177532945 823484386 /nfs/dbraw/zinc/48/43/86/823484386.db2.gz RZUDYHRCQIOSMI-GXTWGEPZSA-N 1 0 388.265 4.470 20 0 GIADRO CCCC[N@H+](CC)Cc1cccc(CNC(=O)C(=O)Nc2c(C)cccc2F)c1 ZINC000460697572 823484522 /nfs/dbraw/zinc/48/45/22/823484522.db2.gz KKBSDLIUBWRPLG-UHFFFAOYSA-N 1 0 399.510 4.011 20 0 GIADRO OC[C@H]([NH2+]Cc1nc2cc(Cl)ccc2n1Cc1ccccc1)C1CCCC1 ZINC000573370102 823485397 /nfs/dbraw/zinc/48/53/97/823485397.db2.gz UFSBWIQCRIYONM-FQEVSTJZSA-N 1 0 383.923 4.379 20 0 GIADRO CCN(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000029827030 820525816 /nfs/dbraw/zinc/52/58/16/820525816.db2.gz RFGYYMINKFKXFR-IBGZPJMESA-N 1 0 377.488 4.056 20 0 GIADRO O=C(c1ccc(C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cc1)N1CCCC1 ZINC000029828316 820527581 /nfs/dbraw/zinc/52/75/81/820527581.db2.gz IRKREPJEDPHHAJ-FQEVSTJZSA-N 1 0 389.499 4.443 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000059123053 823486466 /nfs/dbraw/zinc/48/64/66/823486466.db2.gz ZVGAQBRSLACACX-UHFFFAOYSA-N 1 0 376.422 4.408 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1cccc(F)c1 ZINC000029836883 820529400 /nfs/dbraw/zinc/52/94/00/820529400.db2.gz RWMAASAPZLHFQS-SFHVURJKSA-N 1 0 378.875 4.056 20 0 GIADRO C[C@@H](C1CC1)[N@H+](CC(=O)NCc1ccc(OC(F)F)cc1)Cc1ccccc1 ZINC000029843788 820531366 /nfs/dbraw/zinc/53/13/66/820531366.db2.gz JAVDWXIZAOONLK-INIZCTEOSA-N 1 0 388.458 4.205 20 0 GIADRO C[C@@H](C1CC1)[N@H+](CC(=O)Nc1cccc(N2CCCC2=O)c1)Cc1ccccc1 ZINC000029843736 820531432 /nfs/dbraw/zinc/53/14/32/820531432.db2.gz UYUKWKLTAPJNMI-SFHVURJKSA-N 1 0 391.515 4.053 20 0 GIADRO CC(C)C[C@H](NC(=O)NCc1ccc(OCC[NH+](C)C)cc1)c1ccccc1 ZINC000410409491 823489714 /nfs/dbraw/zinc/48/97/14/823489714.db2.gz VNJGACLUGDZFMW-QFIPXVFZSA-N 1 0 383.536 4.214 20 0 GIADRO CC(C)C[C@@H](NC(=O)NCc1ccc(OCC[NH+](C)C)cc1)c1ccccc1 ZINC000410409489 823489721 /nfs/dbraw/zinc/48/97/21/823489721.db2.gz VNJGACLUGDZFMW-JOCHJYFZSA-N 1 0 383.536 4.214 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)Nc2ccc(OC)c3ncccc23)CC1 ZINC000123279296 823489802 /nfs/dbraw/zinc/48/98/02/823489802.db2.gz XDWIPLBBJQGSJU-UHFFFAOYSA-N 1 0 384.524 4.219 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1oc2ccccc2c1COC)Cc1ccccc1 ZINC000029916916 820548004 /nfs/dbraw/zinc/54/80/04/820548004.db2.gz OASKXSDTTOZQEG-LJQANCHMSA-N 1 0 394.515 4.262 20 0 GIADRO Cc1ccc(OCC[NH+]2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)cc1 ZINC000059258612 823487845 /nfs/dbraw/zinc/48/78/45/823487845.db2.gz BWKQJWOKASQOQL-UHFFFAOYSA-N 1 0 388.895 4.084 20 0 GIADRO C[NH+](C)Cc1ccc(NC(=O)c2ccccc2OCCOc2ccccc2)cc1 ZINC000029952036 820555717 /nfs/dbraw/zinc/55/57/17/820555717.db2.gz HSLNCVUKYCNSCG-UHFFFAOYSA-N 1 0 390.483 4.458 20 0 GIADRO Cc1nc([C@H]2CCC[N@@H+]2CCC(=O)Nc2ccc(Br)cc2)cs1 ZINC000189760829 823489886 /nfs/dbraw/zinc/48/98/86/823489886.db2.gz WNXWBCDATCLKEU-MRXNPFEDSA-N 1 0 394.338 4.380 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1csc(-c2cccs2)n1 ZINC000030057237 820574554 /nfs/dbraw/zinc/57/45/54/820574554.db2.gz FGUKTTYHASNLCY-UHFFFAOYSA-N 1 0 383.542 4.266 20 0 GIADRO CC(C)(C)CCC[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000410424828 823493563 /nfs/dbraw/zinc/49/35/63/823493563.db2.gz XYFSCDIZACNWQP-UHFFFAOYSA-N 1 0 382.346 4.321 20 0 GIADRO Cc1ccc(-c2nc(C(=O)N3c4ccc(C)cc4[C@H]4C[N@H+](C)CC[C@@H]43)cs2)o1 ZINC000123305199 823493651 /nfs/dbraw/zinc/49/36/51/823493651.db2.gz UJOTVCSFGYNIBR-APWZRJJASA-N 1 0 393.512 4.468 20 0 GIADRO Cc1ccccc1C[N@@H+]1CCCN(Cc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000030153985 820580565 /nfs/dbraw/zinc/58/05/65/820580565.db2.gz OJOAKZXJKUCCNP-UHFFFAOYSA-N 1 0 396.922 4.406 20 0 GIADRO COc1cccc2cc(C(=O)N3c4ccc(C)cc4[C@@H]4C[N@@H+](C)CC[C@@H]43)oc21 ZINC000123306962 823494096 /nfs/dbraw/zinc/49/40/96/823494096.db2.gz FWQZMNXSMIQTLY-HKUYNNGSSA-N 1 0 376.456 4.198 20 0 GIADRO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)c1csc(Br)c1 ZINC000030231867 820591037 /nfs/dbraw/zinc/59/10/37/820591037.db2.gz PWKWMGJSFVIBDF-OAHLLOKOSA-N 1 0 379.323 4.078 20 0 GIADRO Cc1ccc(C[N@H+](CC(=O)NCC(F)(F)F)[C@H]2CCc3ccccc32)cc1 ZINC000059405752 823495480 /nfs/dbraw/zinc/49/54/80/823495480.db2.gz HFBCYIGXKVUQBV-IBGZPJMESA-N 1 0 376.422 4.163 20 0 GIADRO COc1cccc([C@@H]2[C@@H](NC(=O)Nc3c(C)cccc3F)CC[N@@H+]2C2CC2)c1 ZINC000189765481 823490474 /nfs/dbraw/zinc/49/04/74/823490474.db2.gz YLZMBIJZXVJOLB-PZJWPPBQSA-N 1 0 383.467 4.242 20 0 GIADRO C[NH+](C)CCOc1cccc(CNC(=O)c2ccc(CCC(F)(F)F)cc2)c1 ZINC000123289870 823491127 /nfs/dbraw/zinc/49/11/27/823491127.db2.gz HZCHRHKHVWGHQL-UHFFFAOYSA-N 1 0 394.437 4.052 20 0 GIADRO C[C@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)c1ccc(-n2cccn2)cc1 ZINC000177560207 823491153 /nfs/dbraw/zinc/49/11/53/823491153.db2.gz GCFZVCRAEZOVPG-SFHVURJKSA-N 1 0 395.551 4.030 20 0 GIADRO C[C@@H](C1CC1)n1cc(NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000189770925 823491602 /nfs/dbraw/zinc/49/16/02/823491602.db2.gz YPQFWNRVJAQVDH-KGVIQGDOSA-N 1 0 395.551 4.371 20 0 GIADRO O=C(Nc1ccc(F)cc1)[C@@H]([NH2+]CCOc1cccc(F)c1)c1ccccc1 ZINC000030501085 820624566 /nfs/dbraw/zinc/62/45/66/820624566.db2.gz RNWUQTPBWJXZDL-NRFANRHFSA-N 1 0 382.410 4.313 20 0 GIADRO Cc1cc(Cl)ccc1NC(=O)[C@H](C)[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000030508712 820626740 /nfs/dbraw/zinc/62/67/40/820626740.db2.gz RIJXVVSCZPBNHI-KRWDZBQOSA-N 1 0 386.923 4.313 20 0 GIADRO C[C@@H](NCc1ccccc1C[NH+]1CCC(C)CC1)c1nnnn1C1CCCCC1 ZINC000189772348 823491972 /nfs/dbraw/zinc/49/19/72/823491972.db2.gz WVHKRCFSQJSNAU-LJQANCHMSA-N 1 0 396.583 4.261 20 0 GIADRO CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+][C@@H](c2ccc(C(C)C)cc2)C(C)C)cc1 ZINC000030530718 820633431 /nfs/dbraw/zinc/63/34/31/820633431.db2.gz BQKPAVZJNPEPRK-LADGPHEKSA-N 1 0 398.547 4.495 20 0 GIADRO COc1cc([C@H](C)[NH2+]C[C@@H](O)COc2ccc(C)cc2C)ccc1OC(C)C ZINC000030533499 820633931 /nfs/dbraw/zinc/63/39/31/820633931.db2.gz IFABRIFZENKWOL-AZUAARDMSA-N 1 0 387.520 4.190 20 0 GIADRO CC(C)(C)N1C[C@H]([NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)CC1=O ZINC000177564428 823492210 /nfs/dbraw/zinc/49/22/10/823492210.db2.gz GKPYBFIKFIJWKL-QGZVFWFLSA-N 1 0 399.922 4.081 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(-c2ccccc2)cc1)c1ccc2c(c1)OCO2 ZINC000030535936 820634567 /nfs/dbraw/zinc/63/45/67/820634567.db2.gz JVYGXPDZJRJDSZ-DYESRHJHSA-N 1 0 391.467 4.173 20 0 GIADRO COc1ccc(C([NH2+]C[C@H](O)c2ccccc2F)c2ccc(OC)cc2)cc1 ZINC000030536259 820634943 /nfs/dbraw/zinc/63/49/43/820634943.db2.gz VOBJLKLBSUVNLD-QFIPXVFZSA-N 1 0 381.447 4.256 20 0 GIADRO Cc1cc(C[NH2+]CCc2ccc3c(c2)OCO3)cc(C)c1OCc1ccccn1 ZINC000030545971 820637903 /nfs/dbraw/zinc/63/79/03/820637903.db2.gz OKJSEAWJMOLBLD-UHFFFAOYSA-N 1 0 390.483 4.338 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)c2cc(-c3csc(C)n3)c[nH]2)cc1 ZINC000030547327 820638053 /nfs/dbraw/zinc/63/80/53/820638053.db2.gz JGDOPKGMWXDGQM-UHFFFAOYSA-N 1 0 382.533 4.218 20 0 GIADRO O=C(CSc1ccc(F)c(F)c1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000030552230 820639102 /nfs/dbraw/zinc/63/91/02/820639102.db2.gz MLTLPMNKZQPBRL-UHFFFAOYSA-N 1 0 390.499 4.359 20 0 GIADRO CSc1ccc([C@@H](CNC(=O)Cc2csc(C(C)(C)C)n2)[NH+](C)C)cc1 ZINC000573433322 823492691 /nfs/dbraw/zinc/49/26/91/823492691.db2.gz ROCOBXCHVZNAMD-QGZVFWFLSA-N 1 0 391.606 4.124 20 0 GIADRO FC(F)(F)c1scnc1-c1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000573434050 823492699 /nfs/dbraw/zinc/49/26/99/823492699.db2.gz KFWQMOYMSITGOX-UHFFFAOYSA-N 1 0 380.395 4.475 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCc2nc(C3CC3)cs2)CC1 ZINC000123318687 823495488 /nfs/dbraw/zinc/49/54/88/823495488.db2.gz PGCJDORKWQDTFT-MRXNPFEDSA-N 1 0 390.597 4.207 20 0 GIADRO COc1cc(C[NH2+]C(C)(C)C)ccc1OCC(=O)Nc1ccccc1Cl ZINC000030641725 820656900 /nfs/dbraw/zinc/65/69/00/820656900.db2.gz JEAYBZZHICWDBR-UHFFFAOYSA-N 1 0 376.884 4.254 20 0 GIADRO FC(F)(F)COc1ccc(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)cc1 ZINC000177581719 823495842 /nfs/dbraw/zinc/49/58/42/823495842.db2.gz LWBSIXRTZPOIIC-IBGZPJMESA-N 1 0 387.442 4.178 20 0 GIADRO Cc1cc(C[NH2+]CCc2cn3ccccc3n2)cc(C)c1OCc1ccccn1 ZINC000030661328 820660753 /nfs/dbraw/zinc/66/07/53/820660753.db2.gz CVISTOWIJXZJCV-UHFFFAOYSA-N 1 0 386.499 4.257 20 0 GIADRO CC(=O)c1c(C)[nH]c(C(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)c1C ZINC000059410548 823495908 /nfs/dbraw/zinc/49/59/08/823495908.db2.gz DQQHWSJCEJJAAE-HZPDHXFCSA-N 1 0 395.547 4.242 20 0 GIADRO Cc1cccc2nc(C3CC[NH+]([C@@H](C(=O)N(C)C)c4ccccc4)CC3)oc21 ZINC000189814187 823500257 /nfs/dbraw/zinc/50/02/57/823500257.db2.gz QXSWPXQLCFAOML-HXUWFJFHSA-N 1 0 377.488 4.145 20 0 GIADRO C[NH+](C)Cc1ccc(NC(=O)CCc2ncc(-c3c(F)cccc3F)o2)cc1 ZINC000030773083 820680347 /nfs/dbraw/zinc/68/03/47/820680347.db2.gz GMXRGXKIBRQHSN-UHFFFAOYSA-N 1 0 385.414 4.253 20 0 GIADRO Cc1noc(C)c1COc1ccccc1C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000030773578 820681088 /nfs/dbraw/zinc/68/10/88/820681088.db2.gz MANXQTCZRXSGLC-UHFFFAOYSA-N 1 0 379.460 4.184 20 0 GIADRO COc1ccc(C[C@@H](C)[NH2+]C[C@H](O)c2ccc(Cl)c(Cl)c2)cc1OC ZINC000059700376 823497209 /nfs/dbraw/zinc/49/72/09/823497209.db2.gz AWHAHHVOZVUTPH-PXAZEXFGSA-N 1 0 384.303 4.265 20 0 GIADRO Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000030862000 820696162 /nfs/dbraw/zinc/69/61/62/820696162.db2.gz AYTGNXWNZQLEBW-UHFFFAOYSA-N 1 0 383.492 4.495 20 0 GIADRO CCc1oc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C(F)(F)F)cc1C ZINC000123339271 823498332 /nfs/dbraw/zinc/49/83/32/823498332.db2.gz POOZTNODFSPSGN-UHFFFAOYSA-N 1 0 395.425 4.173 20 0 GIADRO CC(C)[C@H](C[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1)c1cccnc1 ZINC000177595743 823498420 /nfs/dbraw/zinc/49/84/20/823498420.db2.gz VQYRJNGDEVFMBU-SFHVURJKSA-N 1 0 381.501 4.463 20 0 GIADRO c1ncn(Cc2ccccc2C[NH2+]Cc2ccc(OCc3ccccc3)cc2)n1 ZINC000030900771 820705226 /nfs/dbraw/zinc/70/52/26/820705226.db2.gz OEPDETXSSZJRKV-UHFFFAOYSA-N 1 0 384.483 4.195 20 0 GIADRO Cc1c([C@H](C)[NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)cnn1C ZINC000030909506 820707506 /nfs/dbraw/zinc/70/75/06/820707506.db2.gz INOZUJNDNKNGJK-AWEZNQCLSA-N 1 0 382.895 4.485 20 0 GIADRO COc1cc(C[NH2+][C@@H](C)c2cnn(C)c2C)cc(OC)c1OCc1ccccc1 ZINC000030909632 820707669 /nfs/dbraw/zinc/70/76/69/820707669.db2.gz WMJZXEFXZFEXDF-INIZCTEOSA-N 1 0 395.503 4.176 20 0 GIADRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2ccc(OCc3ccccn3)cc2)C1 ZINC000460733354 823499018 /nfs/dbraw/zinc/49/90/18/823499018.db2.gz ZEBXMLAXHNRHRR-PMACEKPBSA-N 1 0 395.547 4.149 20 0 GIADRO CCc1nc2ccccc2n1C1CC[NH+](CCOCC(F)(F)C(F)F)CC1 ZINC000189810190 823499140 /nfs/dbraw/zinc/49/91/40/823499140.db2.gz DTDVLISKZSQVND-UHFFFAOYSA-N 1 0 387.421 4.153 20 0 GIADRO Clc1cc(Cl)c2c(c1)C=C(C[NH2+]CCCOCC1CCOCC1)CO2 ZINC000123386802 823504090 /nfs/dbraw/zinc/50/40/90/823504090.db2.gz DSOIYHDTCCRHBE-UHFFFAOYSA-N 1 0 386.319 4.192 20 0 GIADRO CC(C)c1cc(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)c2cnn(C(C)C)c2n1 ZINC000059983566 823504029 /nfs/dbraw/zinc/50/40/29/823504029.db2.gz VGEMDIIGDIHTKU-KRWDZBQOSA-N 1 0 399.583 4.376 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)NCC(c2ccccc2)c2ccccc2)cc1 ZINC000031105919 820744498 /nfs/dbraw/zinc/74/44/98/820744498.db2.gz UZPIFPQLOPHRKB-UHFFFAOYSA-N 1 0 387.527 4.380 20 0 GIADRO CCOc1ccc([C@H](C)NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000031149132 820754847 /nfs/dbraw/zinc/75/48/47/820754847.db2.gz IQIZJKPZVSWMTP-IBGZPJMESA-N 1 0 395.547 4.153 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)Nc1ccc(F)cc1 ZINC000060021233 823505205 /nfs/dbraw/zinc/50/52/05/823505205.db2.gz OFMXFGDIQFDMLT-UHFFFAOYSA-N 1 0 394.288 4.184 20 0 GIADRO C[S@](=O)C[C@@H]([NH2+]Cc1ccc(Br)c(Cl)c1)c1ccccc1 ZINC000189853976 823506289 /nfs/dbraw/zinc/50/62/89/823506289.db2.gz CVMQFZJHIPXRND-IERDGZPVSA-N 1 0 386.742 4.312 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H](C)C[C@H](O)c1ccc(F)cc1)CC3 ZINC000123395662 823505254 /nfs/dbraw/zinc/50/52/54/823505254.db2.gz AKDGQPRGEHNYOZ-HBAYXTBCSA-N 1 0 382.479 4.275 20 0 GIADRO O=C(NCCc1cccc2ccccc21)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000031184265 820763038 /nfs/dbraw/zinc/76/30/38/820763038.db2.gz CKMDKADPONRTAT-OAQYLSRUSA-N 1 0 377.488 4.112 20 0 GIADRO Cc1ccc(-c2cc(C(=O)NC[C@@H](c3ccccc3)[NH+]3CCCC3)on2)cc1 ZINC000031210869 820770253 /nfs/dbraw/zinc/77/02/53/820770253.db2.gz OIWZENSLNJYUTI-NRFANRHFSA-N 1 0 375.472 4.217 20 0 GIADRO Cc1cccc2nc(C3CC[NH+]([C@@H](C)C(=O)NCc4ccccc4)CC3)oc21 ZINC000189818118 823501335 /nfs/dbraw/zinc/50/13/35/823501335.db2.gz BDHVTRDDBBVINI-KRWDZBQOSA-N 1 0 377.488 4.021 20 0 GIADRO Cc1cc(Oc2ncccn2)ccc1NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000177613998 823501437 /nfs/dbraw/zinc/50/14/37/823501437.db2.gz GODTUZZFBSSRGE-KRWDZBQOSA-N 1 0 380.492 4.170 20 0 GIADRO Cc1cc(C)n(-c2ccc(C[NH+]3CCC(OC[C@H]4CCCCO4)CC3)cc2)n1 ZINC000177616047 823501964 /nfs/dbraw/zinc/50/19/64/823501964.db2.gz RGMOQZVAORMBPD-HSZRJFAPSA-N 1 0 383.536 4.039 20 0 GIADRO COc1ccc(C[NH2+]CC[C@@](C)(O)c2ccccc2)cc1OCc1cccnc1 ZINC000189821989 823502233 /nfs/dbraw/zinc/50/22/33/823502233.db2.gz FSSPRRGVBUHWCH-XMMPIXPASA-N 1 0 392.499 4.057 20 0 GIADRO Cc1cc(C(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)ccc1-n1cncn1 ZINC000460744492 823502415 /nfs/dbraw/zinc/50/24/15/823502415.db2.gz CQCSWXYBCKYNLZ-UHFFFAOYSA-N 1 0 389.503 4.060 20 0 GIADRO COc1cc([C@@H](C)[NH2+]C[C@H](O)CC(F)(F)F)ccc1OCc1ccccc1 ZINC000189829518 823503132 /nfs/dbraw/zinc/50/31/32/823503132.db2.gz WHJVQJBJKRDTKC-RHSMWYFYSA-N 1 0 383.410 4.238 20 0 GIADRO c1cc(-c2nc3ccccc3s2)oc1C[NH2+]CCCOCC1CCOCC1 ZINC000123378316 823503330 /nfs/dbraw/zinc/50/33/30/823503330.db2.gz NQOITWVGACIOIB-UHFFFAOYSA-N 1 0 386.517 4.479 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)[C@@H](C)c1cccc(Cl)c1 ZINC000460748951 823503584 /nfs/dbraw/zinc/50/35/84/823503584.db2.gz ZBQIQAPAUQAFJY-KRWDZBQOSA-N 1 0 388.939 4.481 20 0 GIADRO CC(C)O[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000410551567 823503614 /nfs/dbraw/zinc/50/36/14/823503614.db2.gz ZYNOTDQIJJXTNM-VJBMBRPKSA-N 1 0 380.532 4.180 20 0 GIADRO CC[C@H](NC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1)c1c(C)noc1C ZINC000123383436 823503689 /nfs/dbraw/zinc/50/36/89/823503689.db2.gz HLRKCGLCCOZZTE-JXFKEZNVSA-N 1 0 390.572 4.429 20 0 GIADRO CCc1cc(N2CCC[C@H](c3nnc4n3CCCCC4)C2)c2ccccc2[nH+]1 ZINC000123382344 823503724 /nfs/dbraw/zinc/50/37/24/823503724.db2.gz ZIJOHDGVXLSHAV-KRWDZBQOSA-N 1 0 375.520 4.499 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C)cc1 ZINC000031526110 820821273 /nfs/dbraw/zinc/82/12/73/820821273.db2.gz WAVPGOOQFPJILY-VGSWGCGISA-N 1 0 393.531 4.053 20 0 GIADRO C[C@H](C(=O)Nc1cccc2ncccc21)[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000060090152 823507475 /nfs/dbraw/zinc/50/74/75/823507475.db2.gz MASPILVTKDVCLX-HXOBKFHXSA-N 1 0 389.499 4.007 20 0 GIADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1c(F)ccc(SCC2CC2)c1F ZINC000410647454 823507728 /nfs/dbraw/zinc/50/77/28/823507728.db2.gz ODYXLQHJEIZUGE-ZDUSSCGKSA-N 1 0 382.520 4.269 20 0 GIADRO Cc1nc2ccccc2c(C)c1CC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000031566512 820826892 /nfs/dbraw/zinc/82/68/92/820826892.db2.gz VIYWFOPHLZOFKE-OAQYLSRUSA-N 1 0 387.527 4.175 20 0 GIADRO CCC(=O)c1ccc(OCC(=O)Nc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000031620996 820835444 /nfs/dbraw/zinc/83/54/44/820835444.db2.gz FDYCGSKXCOMIPC-UHFFFAOYSA-N 1 0 380.488 4.283 20 0 GIADRO C[C@H]1Sc2ccc(C(=O)Nc3cccc(C[NH+]4CCCCC4)c3)cc2NC1=O ZINC000031621532 820835871 /nfs/dbraw/zinc/83/58/71/820835871.db2.gz CYBSVBSUTPVMPK-OAHLLOKOSA-N 1 0 395.528 4.358 20 0 GIADRO O=C([C@H]1CC[N@@H+](C2CCCCC2)C1)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000177657468 823508778 /nfs/dbraw/zinc/50/87/78/823508778.db2.gz BGZVZQRZIIAELT-MSOLQXFVSA-N 1 0 381.520 4.188 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)c2cn(-c3ccccc3)nc2-c2cccs2)CC[N@@H+]1C ZINC000123436816 823508926 /nfs/dbraw/zinc/50/89/26/823508926.db2.gz XARCFKSANHGSTQ-AEFFLSMTSA-N 1 0 394.544 4.156 20 0 GIADRO COc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@@H](C)C[C@H](C)O)cc1 ZINC000123451361 823510113 /nfs/dbraw/zinc/51/01/13/823510113.db2.gz SMBDFMFRCUIWJE-OALUTQOASA-N 1 0 393.531 4.104 20 0 GIADRO C[C@H](C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1)n1cnc2ccccc21 ZINC000031812507 820864096 /nfs/dbraw/zinc/86/40/96/820864096.db2.gz WOEJBUWDVQJWCY-YLJYHZDGSA-N 1 0 396.560 4.248 20 0 GIADRO Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000031854991 820868137 /nfs/dbraw/zinc/86/81/37/820868137.db2.gz PJVBGYFRGKLJMI-LTGZKZEYSA-N 1 0 389.499 4.324 20 0 GIADRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1scnc1C(F)(F)F ZINC000410721490 823511028 /nfs/dbraw/zinc/51/10/28/823511028.db2.gz MMKLPSOYRQBAHE-AWEZNQCLSA-N 1 0 385.455 4.048 20 0 GIADRO CCOc1cccc([C@H](C)NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)c1 ZINC000060185078 823511068 /nfs/dbraw/zinc/51/10/68/823511068.db2.gz RHUXYCWIRLZPET-FXAWDEMLSA-N 1 0 384.495 4.314 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1cccc(NC(=O)[C@H]2C[C@@H]2C)c1)c1ccsc1 ZINC000031983153 820882913 /nfs/dbraw/zinc/88/29/13/820882913.db2.gz WCZMIBOWGIIHAZ-RYGJVYDSSA-N 1 0 399.560 4.156 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCSc2ccccc21)Cc1ccccc1 ZINC000460783393 823511456 /nfs/dbraw/zinc/51/14/56/823511456.db2.gz DGLMPRIRXJHHFJ-FPOVZHCZSA-N 1 0 382.573 4.335 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(NC(=O)C(C)C)cc1)c1ccsc1 ZINC000031983609 820883316 /nfs/dbraw/zinc/88/33/16/820883316.db2.gz YOCHGZAGIUXORL-IBGZPJMESA-N 1 0 387.549 4.156 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(Br)ccc1F)c1ccsc1 ZINC000031984560 820883625 /nfs/dbraw/zinc/88/36/25/820883625.db2.gz ICSOLXUZXVQNMF-INIZCTEOSA-N 1 0 399.329 4.463 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1cc2ccc(OC)cc2nc1C)c1ccsc1 ZINC000031985282 820884418 /nfs/dbraw/zinc/88/44/18/820884418.db2.gz PFGVMILVQOFUHZ-OAQYLSRUSA-N 1 0 397.544 4.426 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)COc1ccc(F)cc1Cl)c1ccsc1 ZINC000031986832 820884959 /nfs/dbraw/zinc/88/49/59/820884959.db2.gz NPIYJPKYHMXDSZ-MRXNPFEDSA-N 1 0 384.904 4.119 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(Br)cc1)c1ccsc1 ZINC000031987952 820885601 /nfs/dbraw/zinc/88/56/01/820885601.db2.gz VRCTWVFEHIFKHV-INIZCTEOSA-N 1 0 381.339 4.324 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1cccc(Br)c1)c1ccsc1 ZINC000031987771 820885792 /nfs/dbraw/zinc/88/57/92/820885792.db2.gz XDBDVFHRUFGUIV-INIZCTEOSA-N 1 0 381.339 4.324 20 0 GIADRO CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cccc(C(N)=O)c1 ZINC000189910537 823512866 /nfs/dbraw/zinc/51/28/66/823512866.db2.gz LGADCCPWMLRETJ-FQEVSTJZSA-N 1 0 395.503 4.300 20 0 GIADRO COc1cc(C[NH2+]C[C@@H](C)C[C@@H](C)O)ccc1OCc1ccc(Cl)cc1 ZINC000123478653 823513116 /nfs/dbraw/zinc/51/31/16/823513116.db2.gz CTPYAVVJQHDMER-JKSUJKDBSA-N 1 0 377.912 4.424 20 0 GIADRO CN(Cc1cccc(Cl)c1)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000060244822 823513093 /nfs/dbraw/zinc/51/30/93/823513093.db2.gz DSBYCBJGUAQVCJ-KRWDZBQOSA-N 1 0 391.968 4.455 20 0 GIADRO O=C(NCc1ccc(Cl)cc1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000060244793 823513239 /nfs/dbraw/zinc/51/32/39/823513239.db2.gz UEBTUYPJADCDEB-INIZCTEOSA-N 1 0 377.941 4.113 20 0 GIADRO Cc1ccc(-c2cc(C(=O)NC[C@@H](c3cccs3)[NH+]3CCCC3)[nH]n2)cc1 ZINC000032239147 820904074 /nfs/dbraw/zinc/90/40/74/820904074.db2.gz RUNLLMDQVXYLGA-IBGZPJMESA-N 1 0 380.517 4.014 20 0 GIADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(CSc3ccccc3)cc2)C1 ZINC000032268234 820905680 /nfs/dbraw/zinc/90/56/80/820905680.db2.gz VBTVZIWIRZQJBQ-OAQYLSRUSA-N 1 0 398.572 4.066 20 0 GIADRO COc1ccc2c(c1)CCC[C@H]2CC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000060275433 823514008 /nfs/dbraw/zinc/51/40/08/823514008.db2.gz GJJBECFGYCKYLH-IRLDBZIGSA-N 1 0 398.591 4.476 20 0 GIADRO CC1CC[NH+](C[C@H]2CCCN(C(=O)CCCOc3ccccc3Cl)C2)CC1 ZINC000060275077 823514021 /nfs/dbraw/zinc/51/40/21/823514021.db2.gz WMUCYXDMYPVYJI-LJQANCHMSA-N 1 0 392.971 4.470 20 0 GIADRO COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H]2CCC[C@H]2CCO)cc1 ZINC000189962663 823518318 /nfs/dbraw/zinc/51/83/18/823518318.db2.gz IWJOYHZXXSYZKC-MBSDFSHPSA-N 1 0 391.515 4.189 20 0 GIADRO Cc1ccc(NC(=O)NCc2ccc(C[NH+](C)C)cc2)c(Br)c1 ZINC000123500856 823514989 /nfs/dbraw/zinc/51/49/89/823514989.db2.gz QYMBIOIOCRROTD-UHFFFAOYSA-N 1 0 376.298 4.141 20 0 GIADRO O=C(NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1)c1ccnc(F)c1 ZINC000060318450 823515280 /nfs/dbraw/zinc/51/52/80/823515280.db2.gz HZZPAASSDJCNFX-UHFFFAOYSA-N 1 0 389.474 4.414 20 0 GIADRO CC[C@H](CNC(=O)c1ccc(Br)s1)[N@@H+]1CCc2ccccc2C1 ZINC000032446090 820946116 /nfs/dbraw/zinc/94/61/16/820946116.db2.gz NALOCNZXNRQGCJ-OAHLLOKOSA-N 1 0 393.350 4.077 20 0 GIADRO O=C(CCC(=O)c1ccc(Cl)cc1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000032461996 820949298 /nfs/dbraw/zinc/94/92/98/820949298.db2.gz DXMPKFUAEWMXKU-UHFFFAOYSA-N 1 0 384.907 4.215 20 0 GIADRO Cc1nc([C@H]2CCCN2C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cs1 ZINC000189944279 823516525 /nfs/dbraw/zinc/51/65/25/823516525.db2.gz SFNQKWJXUYZQJP-QZTJIDSGSA-N 1 0 388.537 4.118 20 0 GIADRO C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000032480482 820956496 /nfs/dbraw/zinc/95/64/96/820956496.db2.gz KTRZSDRILZKUKO-CJNGLKHVSA-N 1 0 381.303 4.180 20 0 GIADRO O=C(Nc1cccc(F)c1F)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000060351071 823518217 /nfs/dbraw/zinc/51/82/17/823518217.db2.gz ILRGLPMXGXAROP-GOSISDBHSA-N 1 0 384.348 4.358 20 0 GIADRO C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3cnc(-c4ccccc4)s3)CC2)C1 ZINC000123523802 823517214 /nfs/dbraw/zinc/51/72/14/823517214.db2.gz CBGYJWRTXUZJNE-QGZVFWFLSA-N 1 0 383.561 4.281 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCC1)N(Cc1ccccc1)CC(F)F ZINC000177738381 823518755 /nfs/dbraw/zinc/51/87/55/823518755.db2.gz XLIGXZRVKDMTGD-UHFFFAOYSA-N 1 0 387.474 4.259 20 0 GIADRO O=C([C@@H]1CCCc2ccccc21)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000060355361 823518944 /nfs/dbraw/zinc/51/89/44/823518944.db2.gz BBTOHGJJCWVXFG-XMMPIXPASA-N 1 0 376.544 4.274 20 0 GIADRO COc1cc(Cl)ccc1C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000060355277 823518955 /nfs/dbraw/zinc/51/89/55/823518955.db2.gz DHKYHNAMHBTLLC-UHFFFAOYSA-N 1 0 386.923 4.129 20 0 GIADRO Cc1ccccc1NC(=O)C[C@H](C)[NH2+]CCCC(=O)Nc1ccc(Cl)cc1 ZINC000123541365 823519312 /nfs/dbraw/zinc/51/93/12/823519312.db2.gz HTQDZCYVZQANGE-INIZCTEOSA-N 1 0 387.911 4.374 20 0 GIADRO COc1cc(F)c([C@@H](C)[NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)cc1OC ZINC000177746655 823519796 /nfs/dbraw/zinc/51/97/96/823519796.db2.gz KPEZRESWOHOYHX-HUUCEWRRSA-N 1 0 386.467 4.382 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1cc2c(ccc3ccccc23)[nH]1)c1cccc(F)c1 ZINC000032731399 820998780 /nfs/dbraw/zinc/99/87/80/820998780.db2.gz OSTLHSINFAFJOT-QFIPXVFZSA-N 1 0 375.447 4.493 20 0 GIADRO COCc1c(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)sc2cccc(F)c21 ZINC000032733191 820999452 /nfs/dbraw/zinc/99/94/52/820999452.db2.gz PPQMVHGWALHYCT-UONOGXRCSA-N 1 0 378.513 4.180 20 0 GIADRO C[C@@H](CNC(=O)c1cc(-c2ccccn2)nc2ccccc21)[N@@H+]1CCCC[C@@H]1C ZINC000032732573 820999487 /nfs/dbraw/zinc/99/94/87/820999487.db2.gz FGXMBYFUXVKVGO-ROUUACIJSA-N 1 0 388.515 4.290 20 0 GIADRO CC[NH+](CC)CCOc1ccc(NC(=O)NC2CCC(OC(C)C)CC2)cc1 ZINC000123552184 823520541 /nfs/dbraw/zinc/52/05/41/823520541.db2.gz TZHJGTMFFMUTMF-UHFFFAOYSA-N 1 0 391.556 4.265 20 0 GIADRO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000032737102 821000963 /nfs/dbraw/zinc/00/09/63/821000963.db2.gz ZOQOMWGUSWFAIT-OLZOCXBDSA-N 1 0 393.890 4.435 20 0 GIADRO CCOc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1ccc(N3CCOC3=O)cc1)CCO2 ZINC000177752342 823520556 /nfs/dbraw/zinc/52/05/56/823520556.db2.gz CTTCCXWXTCCDDE-FOIQADDNSA-N 1 0 382.460 4.216 20 0 GIADRO Cc1ccc(C(=O)NC2CCN(c3cc(C)[nH+]c4ccc(F)cc43)CC2)s1 ZINC000123553014 823520645 /nfs/dbraw/zinc/52/06/45/823520645.db2.gz PDZFLGHVSNUYNM-UHFFFAOYSA-N 1 0 383.492 4.451 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)[C@H](C)c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000460817351 823520680 /nfs/dbraw/zinc/52/06/80/823520680.db2.gz YSJGQVTZAJCFQT-UZLBHIALSA-N 1 0 386.923 4.405 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)c1ccc(F)cc1Br ZINC000177773064 823523787 /nfs/dbraw/zinc/52/37/87/823523787.db2.gz POGMSFKPTHXUHD-ZDUSSCGKSA-N 1 0 389.272 4.079 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)c1ccccc1OC(F)(F)F ZINC000177771893 823523799 /nfs/dbraw/zinc/52/37/99/823523799.db2.gz RACWWUFOOKTAAX-AWEZNQCLSA-N 1 0 376.382 4.076 20 0 GIADRO Cc1nc(C(F)(F)F)ccc1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000032763184 821005056 /nfs/dbraw/zinc/00/50/56/821005056.db2.gz UGOWWBIOVORJPB-CQSZACIVSA-N 1 0 383.439 4.037 20 0 GIADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1csc(Br)c1 ZINC000032762913 821005073 /nfs/dbraw/zinc/00/50/73/821005073.db2.gz LSINCGUMVXCMQS-LBPRGKRZSA-N 1 0 385.352 4.139 20 0 GIADRO Cc1nc(Cc2ccccc2)sc1C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000032766038 821006034 /nfs/dbraw/zinc/00/60/34/821006034.db2.gz CJZDTIBLDOFTAZ-UHFFFAOYSA-N 1 0 393.556 4.294 20 0 GIADRO O=C(c1ccc(Cl)cc1)C(C(=S)NC1CC1)[n+]1ccc2c(c1)CCCC2 ZINC000032813821 821010873 /nfs/dbraw/zinc/01/08/73/821010873.db2.gz JQIIWEPZRUMJPU-UHFFFAOYSA-O 1 0 385.940 4.197 20 0 GIADRO CC[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1c(C)noc1C ZINC000123561620 823521390 /nfs/dbraw/zinc/52/13/90/823521390.db2.gz IVPRILLXPWLGRY-ORYQWCPZSA-N 1 0 398.551 4.295 20 0 GIADRO COc1cccc([C@H](CNC(=O)[C@H](C)c2ccc(F)c(F)c2)[NH+]2CCCC2)c1 ZINC000460819733 823521587 /nfs/dbraw/zinc/52/15/87/823521587.db2.gz SOQNDWWMEZOVEX-VFNWGFHPSA-N 1 0 388.458 4.030 20 0 GIADRO c1ccc(-c2nnc3ccc(NCCCCCCC[NH+]4CCCC4)nn32)cc1 ZINC000060381323 823522028 /nfs/dbraw/zinc/52/20/28/823522028.db2.gz BPLFQHMPNQOPGF-UHFFFAOYSA-N 1 0 378.524 4.250 20 0 GIADRO CC(C)(C)OC(=O)N1CCC(C[NH2+][C@H](c2ccccc2)c2cccnc2)CC1 ZINC000177763028 823522169 /nfs/dbraw/zinc/52/21/69/823522169.db2.gz PTGNBTDMSBUPLF-OAQYLSRUSA-N 1 0 381.520 4.408 20 0 GIADRO C[C@H](CNC(=O)c1c2ccccc2nc2c1CCC/C2=C\c1ccco1)[NH+](C)C ZINC000033093947 821032829 /nfs/dbraw/zinc/03/28/29/821032829.db2.gz OFNAJYCORJGKSL-WECAROLCSA-N 1 0 389.499 4.385 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)C2(c3ccc(Br)cc3)CC2)CC1 ZINC000060394829 823523312 /nfs/dbraw/zinc/52/33/12/823523312.db2.gz TXJJPRZGOZDOEH-UHFFFAOYSA-N 1 0 393.369 4.060 20 0 GIADRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+]CC(=O)NCc1ccco1 ZINC000177801142 823527705 /nfs/dbraw/zinc/52/77/05/823527705.db2.gz FGXRZGYLUXZODG-LBPRGKRZSA-N 1 0 389.908 4.332 20 0 GIADRO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NCc1ccccc1C[NH+](C)C ZINC000033221813 821050765 /nfs/dbraw/zinc/05/07/65/821050765.db2.gz UWOORGVGSNIGLA-ZDUSSCGKSA-N 1 0 381.303 4.139 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@@H]1CCCc2c(O)cccc21 ZINC000190026997 823527919 /nfs/dbraw/zinc/52/79/19/823527919.db2.gz DISWUCWKNIDXJI-OAQYLSRUSA-N 1 0 398.934 4.246 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1ccc(OCc2nccn2C)cc1 ZINC000177806188 823528291 /nfs/dbraw/zinc/52/82/91/823528291.db2.gz LRTHUUNWURPLSS-GOSISDBHSA-N 1 0 387.487 4.036 20 0 GIADRO COc1cc(Br)ccc1[C@H](C)[NH2+]Cc1cccc(C(=O)N(C)C)c1 ZINC000190446481 823575281 /nfs/dbraw/zinc/57/52/81/823575281.db2.gz TZDSYWUCXYHFQR-ZDUSSCGKSA-N 1 0 391.309 4.010 20 0 GIADRO COc1cccc([C@@H](CNC(=O)c2ccc(F)cc2Cl)[NH+]2CCCC2)c1 ZINC000036350598 821071874 /nfs/dbraw/zinc/07/18/74/821071874.db2.gz JCNUUQKMMJHKIZ-LJQANCHMSA-N 1 0 376.859 4.055 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)c1nc(-c2ccccc2)cs1 ZINC000177777178 823524741 /nfs/dbraw/zinc/52/47/41/823524741.db2.gz XVYDUWQBXZBMCU-MRXNPFEDSA-N 1 0 375.501 4.301 20 0 GIADRO COc1cc(C[NH2+]C2(C)CCN(C(=O)OC(C)(C)C)CC2)ccc1SC ZINC000190006829 823524805 /nfs/dbraw/zinc/52/48/05/823524805.db2.gz AEOZSOQOQFAUTO-UHFFFAOYSA-N 1 0 380.554 4.296 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)c1ccccc1C(F)(F)F)c1ccc(N2CCOC2=O)cc1 ZINC000177779192 823525110 /nfs/dbraw/zinc/52/51/10/823525110.db2.gz PZUMTPKIVNGIGB-FZKQIMNGSA-N 1 0 394.393 4.046 20 0 GIADRO C[C@@H]([NH2+]C[C@H](O)c1ccccc1C(F)(F)F)c1cccc(N2CCCC2=O)c1 ZINC000177779589 823525235 /nfs/dbraw/zinc/52/52/35/823525235.db2.gz LZJXXWRHZSVOBC-KUHUBIRLSA-N 1 0 392.421 4.216 20 0 GIADRO CCN(C(=O)c1cc(-c2ccncc2)on1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000123612730 823525771 /nfs/dbraw/zinc/52/57/71/823525771.db2.gz NPHRYWBGWHNOHS-FXAWDEMLSA-N 1 0 390.487 4.034 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cnn(CCC(C)C)c1C ZINC000123658192 823529713 /nfs/dbraw/zinc/52/97/13/823529713.db2.gz KYWQXZWXJQHJAZ-QFIPXVFZSA-N 1 0 396.579 4.222 20 0 GIADRO COC(=O)C[C@@](C)([NH2+]C[C@H](C)c1cccc(Br)c1)c1ccncc1 ZINC000190022255 823527094 /nfs/dbraw/zinc/52/70/94/823527094.db2.gz QVOQHSYNIMWIOO-IFXJQAMLSA-N 1 0 391.309 4.016 20 0 GIADRO Cn1ccc2cccc(NC(=O)N(CC[NH+](C)C)Cc3ccc(F)c(F)c3)c21 ZINC000190053110 823530842 /nfs/dbraw/zinc/53/08/42/823530842.db2.gz IQQTXWCUZJXGMP-UHFFFAOYSA-N 1 0 386.446 4.052 20 0 GIADRO CC[C@@H](NC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)c1nccs1 ZINC000123679568 823531031 /nfs/dbraw/zinc/53/10/31/823531031.db2.gz ITYKNSFLSYKFES-QFBILLFUSA-N 1 0 386.565 4.468 20 0 GIADRO O[C@@H](C[NH+]1CCC(OCc2ccccc2)CC1)c1ccccc1C(F)(F)F ZINC000060466480 823531202 /nfs/dbraw/zinc/53/12/02/823531202.db2.gz ISTPFTHUBPACDR-FQEVSTJZSA-N 1 0 379.422 4.420 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CC(C)(C)Oc2cc(F)ccc21)c1ccc(S(C)(=O)=O)cc1 ZINC000177826402 823531786 /nfs/dbraw/zinc/53/17/86/823531786.db2.gz QKFRAGMIWKEBGC-FZKQIMNGSA-N 1 0 377.481 4.182 20 0 GIADRO Cc1ccc(NC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)cc1NC(=O)C(C)(C)C ZINC000123729430 823535560 /nfs/dbraw/zinc/53/55/60/823535560.db2.gz YLTXUTBROHRQEG-KRWDZBQOSA-N 1 0 388.556 4.079 20 0 GIADRO CCN(C(=O)Nc1ccc2c(c1)COC2)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000123692179 823532198 /nfs/dbraw/zinc/53/21/98/823532198.db2.gz CXFGURAQZGIRJL-JTSKRJEESA-N 1 0 379.504 4.406 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CCC(=O)c2ccc(F)cc2)C1 ZINC000060475085 823532234 /nfs/dbraw/zinc/53/22/34/823532234.db2.gz GGBKJEVOPKPAEY-GOSISDBHSA-N 1 0 396.506 4.337 20 0 GIADRO COc1ccccc1OCCC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000060475192 823532253 /nfs/dbraw/zinc/53/22/53/823532253.db2.gz YYYJJYHRRMZHRD-LJQANCHMSA-N 1 0 396.531 4.012 20 0 GIADRO O[C@@H](COCc1ccccc1F)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000060477986 823532641 /nfs/dbraw/zinc/53/26/41/823532641.db2.gz KSNKPPYMJBGVCT-HSZRJFAPSA-N 1 0 379.475 4.406 20 0 GIADRO C[C@@H]([NH2+]C[C@H](c1cccs1)N1CCOCC1)c1ccc(OC(F)F)cc1 ZINC000123702441 823533043 /nfs/dbraw/zinc/53/30/43/823533043.db2.gz OKSQZPGCJRQYOD-RHSMWYFYSA-N 1 0 382.476 4.074 20 0 GIADRO Cc1ccc(-c2cnc(CCC(=O)NC[C@H](c3ccc(C)cc3)[NH+](C)C)o2)cc1 ZINC000041021051 821168251 /nfs/dbraw/zinc/16/82/51/821168251.db2.gz UVPFYTCVBNNOFW-OAQYLSRUSA-N 1 0 391.515 4.310 20 0 GIADRO Cc1csc(-c2cccc(C(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3)c2)n1 ZINC000041335953 821183902 /nfs/dbraw/zinc/18/39/02/821183902.db2.gz XDQKWGXDXNYLMX-UHFFFAOYSA-N 1 0 392.528 4.123 20 0 GIADRO COc1ccc([C@@H](CNC(=O)c2cc3cccc(C)c3o2)[NH+]2CCCC2)cc1 ZINC000041330235 821184053 /nfs/dbraw/zinc/18/40/53/821184053.db2.gz JROGGTALOCFPAY-HXUWFJFHSA-N 1 0 378.472 4.317 20 0 GIADRO Cc1ccncc1C(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000460876590 823534526 /nfs/dbraw/zinc/53/45/26/823534526.db2.gz DMMJUJSSNIEACK-UHFFFAOYSA-N 1 0 391.437 4.145 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cccc(C(=O)c2ccccc2)c1 ZINC000177840772 823534773 /nfs/dbraw/zinc/53/47/73/823534773.db2.gz KKFFYWHEGSLEQM-RTWAWAEBSA-N 1 0 377.488 4.008 20 0 GIADRO CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@H](C)c1cn(C(C)(C)C)nc1C ZINC000460880261 823535128 /nfs/dbraw/zinc/53/51/28/823535128.db2.gz HTSXYJUOOINLPK-GOSISDBHSA-N 1 0 391.604 4.305 20 0 GIADRO COCCOc1ccc(C[NH2+]C2(c3cccc(Br)c3)CC2)cc1 ZINC000123741279 823536251 /nfs/dbraw/zinc/53/62/51/823536251.db2.gz XQIWPOGHTCEPEG-UHFFFAOYSA-N 1 0 376.294 4.253 20 0 GIADRO COc1ccc(-c2nc3c(s2)[C@@H]([NH2+]CCCc2c[nH]nc2C)CCC3)cc1 ZINC000177853955 823536546 /nfs/dbraw/zinc/53/65/46/823536546.db2.gz FVUSMOZNJCUFSN-SFHVURJKSA-N 1 0 382.533 4.450 20 0 GIADRO CC(=O)Nc1ccc(NC(=S)NCC2([NH+]3CCCCC3)CCCCC2)cc1 ZINC000041725813 821219538 /nfs/dbraw/zinc/21/95/38/821219538.db2.gz WKQSWJHMMSXTPG-UHFFFAOYSA-N 1 0 388.581 4.120 20 0 GIADRO CC(C)Oc1cc(Br)ccc1C(=O)NC(C)(C)CCC[NH+](C)C ZINC000411046977 823537462 /nfs/dbraw/zinc/53/74/62/823537462.db2.gz MFEMRMQHTGCNPS-UHFFFAOYSA-N 1 0 385.346 4.087 20 0 GIADRO CC[NH+](CC)CCN(C(=O)c1ccoc1C)c1cccc(Br)c1 ZINC000060548193 823541014 /nfs/dbraw/zinc/54/10/14/823541014.db2.gz BWWMLYCLLFTFJH-UHFFFAOYSA-N 1 0 379.298 4.339 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1cc(-c2ccccc2)no1 ZINC000041795967 821231258 /nfs/dbraw/zinc/23/12/58/821231258.db2.gz VEOSLXVMKSPAAF-UHFFFAOYSA-N 1 0 379.460 4.315 20 0 GIADRO COc1cccc([C@H](CNC(=O)c2c(F)cccc2Cl)[NH+]2CCCC2)c1 ZINC000041816127 821233107 /nfs/dbraw/zinc/23/31/07/821233107.db2.gz CVIUXQZVGPSZRJ-SFHVURJKSA-N 1 0 376.859 4.055 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)NC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000177863867 823538173 /nfs/dbraw/zinc/53/81/73/823538173.db2.gz VNMVQXUVISRJRT-MRXNPFEDSA-N 1 0 387.474 4.037 20 0 GIADRO O=c1[nH]c2ccccc2cc1C[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000123759784 823538195 /nfs/dbraw/zinc/53/81/95/823538195.db2.gz PDPSZNCBIOGIDE-UHFFFAOYSA-N 1 0 376.485 4.181 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H](c2ccsc2)c2ccc(Cl)cc2)C1 ZINC000177864490 823538369 /nfs/dbraw/zinc/53/83/69/823538369.db2.gz FXQWPCFXYIQKTI-KXBFYZLASA-N 1 0 391.968 4.474 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)C(=O)N[C@@H](CC(C)(C)C)c2ccc(F)cc2)c1 ZINC000041852015 821238338 /nfs/dbraw/zinc/23/83/38/821238338.db2.gz YNPPIYRJOWPFSM-FQEVSTJZSA-N 1 0 399.510 4.120 20 0 GIADRO CC[C@@H](NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1c(C)noc1C ZINC000123761787 823538379 /nfs/dbraw/zinc/53/83/79/823538379.db2.gz YXYHBYPSVGXYJM-RBUKOAKNSA-N 1 0 376.545 4.040 20 0 GIADRO CC(C)c1ccc(NC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c(C(C)C)c1 ZINC000190112505 823538574 /nfs/dbraw/zinc/53/85/74/823538574.db2.gz PIDCIMOFCXPQJE-QGZVFWFLSA-N 1 0 375.557 4.242 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CCNC(=O)c1ccc(C)c(F)c1 ZINC000177870491 823539144 /nfs/dbraw/zinc/53/91/44/823539144.db2.gz LRXVYIZOJZPMHJ-AWEZNQCLSA-N 1 0 398.507 4.042 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@@H]2c2ccc(OC)c(OC)c2)o1 ZINC000042062977 821258880 /nfs/dbraw/zinc/25/88/80/821258880.db2.gz SRPLJLKWRWHPKT-GOSISDBHSA-N 1 0 386.492 4.116 20 0 GIADRO CC[C@@H]([NH2+]Cc1cccc(C(=O)N2CCCCC2)c1)c1ccc2c(c1)OCCO2 ZINC000177875344 823539751 /nfs/dbraw/zinc/53/97/51/823539751.db2.gz GYAUFICWWQBSEO-OAQYLSRUSA-N 1 0 394.515 4.325 20 0 GIADRO CCCCNC(=O)c1ccc(C[NH2+][C@@H](C)CC(=O)Nc2ccccc2C)cc1 ZINC000177876502 823539910 /nfs/dbraw/zinc/53/99/10/823539910.db2.gz FXABQLGOVCVLDT-SFHVURJKSA-N 1 0 381.520 4.032 20 0 GIADRO CCCCNC(=O)c1ccc(C[NH2+][C@@H](C)CC(=O)Nc2cccc(C)c2C)cc1 ZINC000177877312 823540022 /nfs/dbraw/zinc/54/00/22/823540022.db2.gz HPMSUKGIEOJABO-SFHVURJKSA-N 1 0 395.547 4.340 20 0 GIADRO COc1ccc([C@@H](O)C[NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)cc1 ZINC000042202283 821282761 /nfs/dbraw/zinc/28/27/61/821282761.db2.gz AYGBCWAOTGNMAU-NRFANRHFSA-N 1 0 398.890 4.146 20 0 GIADRO CC(C)[C@@H](CNC(=O)N1CCC(C(=O)c2ccccc2)CC1)[NH+]1CCC(C)CC1 ZINC000042343098 821302330 /nfs/dbraw/zinc/30/23/30/821302330.db2.gz WPNLVZHMBAZQDV-JOCHJYFZSA-N 1 0 399.579 4.047 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)N1CC=C(c2ccc(O)cc2)CC1)c1ccsc1 ZINC000042346228 821303007 /nfs/dbraw/zinc/30/30/07/821303007.db2.gz YFSNTJBKLRCPDE-OAQYLSRUSA-N 1 0 399.560 4.336 20 0 GIADRO C[C@H](CNC(=O)c1oc2ccccc2c1COc1ccccc1)[NH+]1CCCC1 ZINC000042508715 821309454 /nfs/dbraw/zinc/30/94/54/821309454.db2.gz JMGZNJSJOGTDLV-QGZVFWFLSA-N 1 0 378.472 4.226 20 0 GIADRO C[C@@H](C(=O)Nc1cccc2ncccc21)[NH+]1CCC(OCc2ccccc2)CC1 ZINC000042563737 821310472 /nfs/dbraw/zinc/31/04/72/821310472.db2.gz NSURLRLDDHCNBD-SFHVURJKSA-N 1 0 389.499 4.243 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cccc3ccccc32)c1 ZINC000042636577 821317626 /nfs/dbraw/zinc/31/76/26/821317626.db2.gz PDJDNPOTJCEUIK-HZPDHXFCSA-N 1 0 375.472 4.476 20 0 GIADRO C[C@@H](NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)OCO2)c1ccc2ccccc2c1 ZINC000042642653 821319082 /nfs/dbraw/zinc/31/90/82/821319082.db2.gz JECJYMYVQIMJMT-BBWFWOEESA-N 1 0 390.483 4.485 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)Cc1cccc2cccnc21 ZINC000042699874 821325736 /nfs/dbraw/zinc/32/57/36/821325736.db2.gz IFYQXGMRINBQSH-UHFFFAOYSA-N 1 0 377.488 4.137 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(C(C)=O)cc1)c1cccc(OC)c1 ZINC000042758492 821331260 /nfs/dbraw/zinc/33/12/60/821331260.db2.gz RQSXDQYOZNESAI-NRFANRHFSA-N 1 0 383.492 4.102 20 0 GIADRO COc1cc(C[NH2+][C@H](C)Cc2ccc(Br)cc2)cc(OC)c1OC ZINC000042791389 821333076 /nfs/dbraw/zinc/33/30/76/821333076.db2.gz LBMBDLKVAVPVFW-CYBMUJFWSA-N 1 0 394.309 4.196 20 0 GIADRO Cc1ccc(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)cc1NC(=O)c1ccccc1 ZINC000043086017 821359194 /nfs/dbraw/zinc/35/91/94/821359194.db2.gz FYSRGSKJVSKCIN-RBUKOAKNSA-N 1 0 393.531 4.240 20 0 GIADRO COc1cccc([C@H]2CCCN2C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000043136506 821366651 /nfs/dbraw/zinc/36/66/51/821366651.db2.gz VOAOGFADAHQJDT-RTWAWAEBSA-N 1 0 397.519 4.362 20 0 GIADRO CC(C)Oc1ccc([C@H](C)NC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000043167136 821371679 /nfs/dbraw/zinc/37/16/79/821371679.db2.gz VCYDDWDRMFHGRI-FXAWDEMLSA-N 1 0 385.508 4.264 20 0 GIADRO CC(C)[NH+]1CCC(NC(=O)N[C@H](COc2ccccc2F)c2ccccc2)CC1 ZINC000043168310 821372731 /nfs/dbraw/zinc/37/27/31/821372731.db2.gz AWHQBMQVELQUKP-OAQYLSRUSA-N 1 0 399.510 4.118 20 0 GIADRO C[N@H+](CCc1nccs1)Cc1ccc(OC(F)F)c(Br)c1 ZINC000180632927 821376022 /nfs/dbraw/zinc/37/60/22/821376022.db2.gz VEUNCUFLASDDDM-UHFFFAOYSA-N 1 0 377.254 4.182 20 0 GIADRO C[C@H](NC(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccc(Br)cc1 ZINC000043187912 821376409 /nfs/dbraw/zinc/37/64/09/821376409.db2.gz VKOVADGHEOQCDQ-HNNXBMFYSA-N 1 0 394.357 4.028 20 0 GIADRO COc1cccc([C@H]2CCCN2C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000043231125 821377598 /nfs/dbraw/zinc/37/75/98/821377598.db2.gz HVCZRTOAAKJQLI-UXHICEINSA-N 1 0 399.560 4.440 20 0 GIADRO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)cc1 ZINC000180638542 821378200 /nfs/dbraw/zinc/37/82/00/821378200.db2.gz KTUDAGUVRGXBHK-UNMCSNQZSA-N 1 0 395.478 4.313 20 0 GIADRO CC[C@H]([NH2+]CC(=O)Nc1ccccc1C(F)(F)F)c1ccc2c(c1)OCCO2 ZINC000180639326 821378245 /nfs/dbraw/zinc/37/82/45/821378245.db2.gz HUFSPNCZQDDEHY-HNNXBMFYSA-N 1 0 394.393 4.156 20 0 GIADRO CC(C)(C)OC(=O)NC1CCC([NH2+]CCCOc2cccc3cccnc32)CC1 ZINC000180639374 821378487 /nfs/dbraw/zinc/37/84/87/821378487.db2.gz LEMZIXLSGBBTBK-UHFFFAOYSA-N 1 0 399.535 4.429 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1ccc(Br)cc1F)c1cccs1 ZINC000043260261 821382160 /nfs/dbraw/zinc/38/21/60/821382160.db2.gz YWHXRIFNDSVHLT-CYBMUJFWSA-N 1 0 386.290 4.074 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(N(C)C)cc2)cc1OCC ZINC000043301752 821388051 /nfs/dbraw/zinc/38/80/51/821388051.db2.gz CZZYNJQMRMGSPK-IRXDYDNUSA-N 1 0 399.535 4.228 20 0 GIADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N[C@@H](c2ccccc2)c2ccccn2)C1 ZINC000043296089 821388379 /nfs/dbraw/zinc/38/83/79/821388379.db2.gz WTEUQVOSXSIDAX-VIZSFHNOSA-N 1 0 394.563 4.228 20 0 GIADRO C[C@@H]([NH2+]CC1(c2ccccc2Cl)CCOCC1)c1ccc(-n2cncn2)cc1 ZINC000180676665 821391931 /nfs/dbraw/zinc/39/19/31/821391931.db2.gz PYUKDBCRIZHTQS-QGZVFWFLSA-N 1 0 396.922 4.320 20 0 GIADRO CC(C)(CCO)C[NH2+][C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000180684785 821394307 /nfs/dbraw/zinc/39/43/07/821394307.db2.gz MGNLEKJORMPNCA-FQEVSTJZSA-N 1 0 375.896 4.199 20 0 GIADRO Cc1cc(F)ccc1-n1ccc(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)n1 ZINC000180686902 821395102 /nfs/dbraw/zinc/39/51/02/821395102.db2.gz BXNBCCQWZGMXOX-OALUTQOASA-N 1 0 398.526 4.046 20 0 GIADRO C[C@@H]([NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1)c1cccc(N2CCCC2=O)c1 ZINC000180690982 821397134 /nfs/dbraw/zinc/39/71/34/821397134.db2.gz PTFWBUVCCQUFKL-KUHUBIRLSA-N 1 0 392.421 4.216 20 0 GIADRO COCc1cc([C@H](C)[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)ccc1OC ZINC000180691718 821397305 /nfs/dbraw/zinc/39/73/05/821397305.db2.gz GGIQEKPQNLZYCH-UGSOOPFHSA-N 1 0 383.410 4.245 20 0 GIADRO Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)c(C)c1 ZINC000180691952 821397721 /nfs/dbraw/zinc/39/77/21/821397721.db2.gz RXNABOUHONKZGW-KXBFYZLASA-N 1 0 394.437 4.363 20 0 GIADRO COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1)CCCO2 ZINC000180692343 821397781 /nfs/dbraw/zinc/39/77/81/821397781.db2.gz JPJWJYCXNWGKTA-ZWKOTPCHSA-N 1 0 381.394 4.251 20 0 GIADRO COc1cc(C)c([C@@H](C)[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)cc1OC ZINC000180692673 821397939 /nfs/dbraw/zinc/39/79/39/821397939.db2.gz HBGLZPUTTOHQSU-DYVFJYSZSA-N 1 0 383.410 4.415 20 0 GIADRO O[C@]1(C[NH2+][C@H](c2ccc(Br)cc2)c2ccccc2F)CCSC1 ZINC000180702224 821404479 /nfs/dbraw/zinc/40/44/79/821404479.db2.gz KZWKQJZGCJZHCS-MSOLQXFVSA-N 1 0 396.325 4.135 20 0 GIADRO COc1cc([C@H](C)[NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)ccc1F ZINC000180706512 821407907 /nfs/dbraw/zinc/40/79/07/821407907.db2.gz QVUYTBQBUKMSPP-LBPRGKRZSA-N 1 0 375.831 4.431 20 0 GIADRO Cc1cc(Br)ccc1NC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000043449146 821408207 /nfs/dbraw/zinc/40/82/07/821408207.db2.gz NLUVXMFEWVBVHX-CQSZACIVSA-N 1 0 382.327 4.243 20 0 GIADRO C[N@@H+]1CCC[C@H]2CN(C(=O)N[C@@H](c3cccc(C(F)(F)F)c3)C3CC3)CC[C@@H]21 ZINC000180708892 821409423 /nfs/dbraw/zinc/40/94/23/821409423.db2.gz BANDRIZGBKKGDZ-YTQUADARSA-N 1 0 395.469 4.282 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CCC[C@H]1c1cccs1 ZINC000043491054 821416438 /nfs/dbraw/zinc/41/64/38/821416438.db2.gz DEPCFOBENBFCRS-IBGZPJMESA-N 1 0 384.549 4.177 20 0 GIADRO Cn1cc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)c(-c2ccccc2)n1 ZINC000180724426 821418981 /nfs/dbraw/zinc/41/89/81/821418981.db2.gz TWVIORKZQMNLJM-YADHBBJMSA-N 1 0 379.479 4.314 20 0 GIADRO COCc1ccc(C(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)cc1 ZINC000043506101 821420080 /nfs/dbraw/zinc/42/00/80/821420080.db2.gz HDLBBOXUGNZUER-UHFFFAOYSA-N 1 0 388.511 4.492 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)N(C)Cc3ccc(C)cc3)c(C)c2)CC1 ZINC000043522990 821421853 /nfs/dbraw/zinc/42/18/53/821421853.db2.gz RWIYWSYENNKIGV-UHFFFAOYSA-N 1 0 380.536 4.109 20 0 GIADRO C[C@@H]([NH2+]CC1(N2CCCCC2)CCOCC1)[C@H](C)c1nc2ccccc2s1 ZINC000180738455 821426502 /nfs/dbraw/zinc/42/65/02/821426502.db2.gz LCXITEOTPCVEMB-ZWKOTPCHSA-N 1 0 387.593 4.413 20 0 GIADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)N(Cc1ccncc1)[C@@H](C)c1ccccc1 ZINC000043563899 821427459 /nfs/dbraw/zinc/42/74/59/821427459.db2.gz WXWYSSXBJMLZMH-GHTZIAJQSA-N 1 0 382.577 4.004 20 0 GIADRO C[C@@H]([NH2+]CC1(N2CCCCC2)CCOCC1)c1cccc(OC(F)(F)F)c1 ZINC000180740435 821428403 /nfs/dbraw/zinc/42/84/03/821428403.db2.gz MAECWQCABONMTD-MRXNPFEDSA-N 1 0 386.458 4.271 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)N2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC000043574681 821429321 /nfs/dbraw/zinc/42/93/21/821429321.db2.gz LWNLSFNKKNUOQX-NRFANRHFSA-N 1 0 396.510 4.337 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)NCCSc2ccc(C)cc2)CC1 ZINC000043601907 821430361 /nfs/dbraw/zinc/43/03/61/821430361.db2.gz FVYDRBCMDGJQQC-UHFFFAOYSA-N 1 0 398.576 4.051 20 0 GIADRO CC(C)c1ccccc1OCC[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000180757995 821438025 /nfs/dbraw/zinc/43/80/25/821438025.db2.gz OBFPAADSHOUNPB-HNNXBMFYSA-N 1 0 379.497 4.082 20 0 GIADRO CCN(CC)C(=O)CCC1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000180771925 821446678 /nfs/dbraw/zinc/44/66/78/821446678.db2.gz OAVAGIYKLRHICG-UHFFFAOYSA-N 1 0 397.357 4.015 20 0 GIADRO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CCN(C(=O)C2CCCCC2)C1)CC3 ZINC000180773442 821447689 /nfs/dbraw/zinc/44/76/89/821447689.db2.gz MSBLMWZATSXUAK-RTBURBONSA-N 1 0 379.548 4.104 20 0 GIADRO Cc1c(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cnn1-c1cccc(C)c1 ZINC000043729053 821448318 /nfs/dbraw/zinc/44/83/18/821448318.db2.gz HMEICJPVOWCVPD-FQEVSTJZSA-N 1 0 394.544 4.118 20 0 GIADRO Cc1cc([C@H]([NH2+]C[C@@]2(CCO)CCOC2)c2ccccc2Cl)ccc1F ZINC000180775895 821449646 /nfs/dbraw/zinc/44/96/46/821449646.db2.gz JURUWPMCYLQPAY-LEWJYISDSA-N 1 0 377.887 4.256 20 0 GIADRO O=C(NCC[NH2+][C@H]1CC2(CCCC2)Oc2ccccc21)c1c(F)cccc1F ZINC000180787940 821458798 /nfs/dbraw/zinc/45/87/98/821458798.db2.gz RSZBCPSMIDPWJC-SFHVURJKSA-N 1 0 386.442 4.121 20 0 GIADRO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1cc(F)c(Cl)nc1Cl ZINC000180808017 821470748 /nfs/dbraw/zinc/47/07/48/821470748.db2.gz LBQSFEXYNHVPJD-UHFFFAOYSA-N 1 0 382.266 4.418 20 0 GIADRO Cc1cccc(C[NH2+]C[C@H]2CCN(c3cccc(Br)c3)C2)c1O ZINC000180808670 821470800 /nfs/dbraw/zinc/47/08/00/821470800.db2.gz MYSAORVFBNYRII-OAHLLOKOSA-N 1 0 375.310 4.079 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)cc1)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000180817161 821477098 /nfs/dbraw/zinc/47/70/98/821477098.db2.gz ABGIELZTSPDGNO-ABSDTBQOSA-N 1 0 394.544 4.337 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(OCC(F)(F)F)cc1)c1ccsc1 ZINC000043919041 821489792 /nfs/dbraw/zinc/48/97/92/821489792.db2.gz YJYRYARIOBZEFE-HNNXBMFYSA-N 1 0 387.427 4.114 20 0 GIADRO c1sc(CCC[NH2+][C@@H]2CCCN(Cc3ccccc3)C2)nc1-c1ccncc1 ZINC000180847731 821492914 /nfs/dbraw/zinc/49/29/14/821492914.db2.gz JPZRNQZGUBDGHG-OAQYLSRUSA-N 1 0 392.572 4.392 20 0 GIADRO Cc1cc2ncc([C@@H](C)[NH2+]CCCc3nc(-c4ccncc4)cs3)c(C)n2n1 ZINC000180850076 821494843 /nfs/dbraw/zinc/49/48/43/821494843.db2.gz GEMVPRJFGZFMAW-OAHLLOKOSA-N 1 0 392.532 4.148 20 0 GIADRO COc1cc(C[NH+]2CCC([C@H](O)c3ccccc3)CC2)ccc1OC(F)F ZINC000043998801 821499877 /nfs/dbraw/zinc/49/98/77/821499877.db2.gz LCLGYQLTFXTNNZ-HXUWFJFHSA-N 1 0 377.431 4.242 20 0 GIADRO Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000180863369 821501121 /nfs/dbraw/zinc/50/11/21/821501121.db2.gz JKDYXCVCNUYFQQ-IBGZPJMESA-N 1 0 387.527 4.163 20 0 GIADRO Cc1ccc(-c2nnc([C@H](C)[N@@H+]3CCC[C@H](c4nncn4C4CC4)C3)o2)cc1C ZINC000180874019 821506904 /nfs/dbraw/zinc/50/69/04/821506904.db2.gz XEVKJLKHQPRBHW-WMZOPIPTSA-N 1 0 392.507 4.220 20 0 GIADRO CC(C)CC(=O)Nc1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000044031580 821507691 /nfs/dbraw/zinc/50/76/91/821507691.db2.gz VOUVDKKZEHRSIQ-OAQYLSRUSA-N 1 0 394.519 4.067 20 0 GIADRO CC(C)CC(=O)Nc1ccc(NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1 ZINC000044031648 821507933 /nfs/dbraw/zinc/50/79/33/821507933.db2.gz KHQUKDLSPLHMTF-KRWDZBQOSA-N 1 0 388.537 4.157 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1C ZINC000044048013 821511286 /nfs/dbraw/zinc/51/12/86/821511286.db2.gz WZHHULAFWPGQSP-UHFFFAOYSA-N 1 0 394.519 4.261 20 0 GIADRO COc1cccc([C@@H](CNC(=S)Nc2ccc3ccccc3c2)[NH+](C)C)c1 ZINC000044055851 821513308 /nfs/dbraw/zinc/51/33/08/821513308.db2.gz AQJRCYOMYFHGBH-OAQYLSRUSA-N 1 0 379.529 4.438 20 0 GIADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=S)Nc2ccccc2C#N)CC1 ZINC000044056357 821513966 /nfs/dbraw/zinc/51/39/66/821513966.db2.gz IPNSJNVRCACXKJ-UHFFFAOYSA-N 1 0 399.951 4.162 20 0 GIADRO COc1ccc([C@@H]([NH2+]CCNC(=O)c2c(F)cccc2F)c2ccccc2)cc1 ZINC000180889049 821516368 /nfs/dbraw/zinc/51/63/68/821516368.db2.gz ZUUPHCHULOHHGL-QFIPXVFZSA-N 1 0 396.437 4.082 20 0 GIADRO CCc1ccc([C@@H](CNC(=O)Nc2cccc(NC(=O)C(C)C)c2)[NH+](C)C)cc1 ZINC000044084357 821519975 /nfs/dbraw/zinc/51/99/75/821519975.db2.gz ISGZHORZYQTEPM-OAQYLSRUSA-N 1 0 396.535 4.268 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)Nc1ccccc1)c1ccc(-c2ccncc2)cc1 ZINC000180894581 821520603 /nfs/dbraw/zinc/52/06/03/821520603.db2.gz KIGAVFCVHVWSGX-SJORKVTESA-N 1 0 388.471 4.136 20 0 GIADRO C[C@@H]([NH2+]CC(=O)NCCCOC1CCCCC1)c1ccc(-c2ccncc2)cc1 ZINC000180897104 821522368 /nfs/dbraw/zinc/52/23/68/821522368.db2.gz URKJTACFIHTTPL-LJQANCHMSA-N 1 0 395.547 4.255 20 0 GIADRO CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@](C)(O)c1ccc(F)cc1F ZINC000180898788 821523136 /nfs/dbraw/zinc/52/31/36/821523136.db2.gz RRJLARLNZULFPJ-OYHNWAKOSA-N 1 0 390.474 4.303 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc2c(c1)OCO2)c1ccc(-c2ccncc2)cc1 ZINC000180899294 821523420 /nfs/dbraw/zinc/52/34/20/821523420.db2.gz DSRUVSBECJTUDN-CVEARBPZSA-N 1 0 389.455 4.155 20 0 GIADRO COC(=O)COc1cccc(C[NH2+][C@H](c2ccccc2)c2ccc(OC)cc2)c1 ZINC000180901638 821525508 /nfs/dbraw/zinc/52/55/08/821525508.db2.gz OOENNBSYNDHCAD-XMMPIXPASA-N 1 0 391.467 4.126 20 0 GIADRO CCCNC(=S)Nc1ccc(C[NH+]2CCN(c3cccc(C)c3)CC2)cc1 ZINC000044133631 821530494 /nfs/dbraw/zinc/53/04/94/821530494.db2.gz FYYDIAWCSBMFKC-UHFFFAOYSA-N 1 0 382.577 4.014 20 0 GIADRO COc1ccc(CN2CC[C@@H]([NH2+][C@H](C)c3oc4ccccc4c3C)C2=O)cc1 ZINC000180917202 821536869 /nfs/dbraw/zinc/53/68/69/821536869.db2.gz IIHYMCKNBOHCNJ-OXQOHEQNSA-N 1 0 378.472 4.202 20 0 GIADRO COc1ccc(CN2CC[C@H]([NH2+][C@H](C)c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000180919803 821538060 /nfs/dbraw/zinc/53/80/60/821538060.db2.gz MBPGKHPXRJZHOY-KUHUBIRLSA-N 1 0 392.421 4.166 20 0 GIADRO CCc1ccccc1NC(=S)NCc1ccccc1OCC[NH+](CC)CC ZINC000044158468 821538460 /nfs/dbraw/zinc/53/84/60/821538460.db2.gz RAKDQJFVRVZQLV-UHFFFAOYSA-N 1 0 385.577 4.456 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccnc1Cl)c1ccc(-c2ccncc2)cc1 ZINC000180925889 821542302 /nfs/dbraw/zinc/54/23/02/821542302.db2.gz KVLYCZSZRZRIOP-CABCVRRESA-N 1 0 380.879 4.475 20 0 GIADRO C[NH+](C)C1(CNCc2ccc(-c3cccc(C(F)(F)F)c3)o2)CCOCC1 ZINC000180940463 821548423 /nfs/dbraw/zinc/54/84/23/821548423.db2.gz YDGSQBWWPPMPBX-UHFFFAOYSA-N 1 0 382.426 4.166 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1cc(F)ccc1F)c1ccc(OCC(F)(F)F)cc1 ZINC000180951303 821553174 /nfs/dbraw/zinc/55/31/74/821553174.db2.gz FJVZQNKREZAESN-LLVKDONJSA-N 1 0 388.336 4.195 20 0 GIADRO C[C@@H]([NH2+]Cc1cc(F)cc2c1OCOC2)c1ccc(OCC(F)(F)F)cc1 ZINC000180954445 821554327 /nfs/dbraw/zinc/55/43/27/821554327.db2.gz FXRRMUKJBJXCAQ-GFCCVEGCSA-N 1 0 385.357 4.484 20 0 GIADRO CC(=O)c1cccc(NC(=O)C[NH2+][C@H](C)c2ccc(OCC(F)(F)F)cc2)c1 ZINC000180957333 821556076 /nfs/dbraw/zinc/55/60/76/821556076.db2.gz LIFJDPWLHKVACX-CYBMUJFWSA-N 1 0 394.393 4.120 20 0 GIADRO CCc1nc2ccccc2n1C1CC[NH+]([C@H](C)C(=O)Nc2ccccc2)CC1 ZINC000180961582 821558488 /nfs/dbraw/zinc/55/84/88/821558488.db2.gz DYOHFTYKHVHTNW-QGZVFWFLSA-N 1 0 376.504 4.263 20 0 GIADRO CCC[C@H]([NH2+]C1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccccc1 ZINC000180965642 821560131 /nfs/dbraw/zinc/56/01/31/821560131.db2.gz OPUUPYVMWKOUNH-QFIPXVFZSA-N 1 0 386.561 4.112 20 0 GIADRO CCc1nc2ccccc2n1C1CC[NH+](CC(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000180965672 821560317 /nfs/dbraw/zinc/56/03/17/821560317.db2.gz XZBBXIVTLGLPJL-SFHVURJKSA-N 1 0 390.531 4.113 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)N2CCC(c3nc4ccccc4o3)CC2)c1 ZINC000044292355 821561002 /nfs/dbraw/zinc/56/10/02/821561002.db2.gz GGUCPJTWBLPJMV-UHFFFAOYSA-N 1 0 378.476 4.301 20 0 GIADRO Cc1ccc([C@H](CC(=O)OC(C)C)NC(=O)Nc2cccc(C[NH+](C)C)c2)cc1 ZINC000044293478 821561167 /nfs/dbraw/zinc/56/11/67/821561167.db2.gz VSNYKGMYKZNLDR-NRFANRHFSA-N 1 0 397.519 4.261 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1cc2cc(Br)ccc2[nH]1)c1cccs1 ZINC000044302315 821562750 /nfs/dbraw/zinc/56/27/50/821562750.db2.gz LETAGCCKXXZWST-HNNXBMFYSA-N 1 0 392.322 4.025 20 0 GIADRO COc1ccc(C(=O)N2CCC([NH2+][C@@H]3CCC(C)(C)C[C@@H]3C)CC2)cc1OC ZINC000180970021 821563239 /nfs/dbraw/zinc/56/32/39/821563239.db2.gz JEPDFXPYJTVJID-QFBILLFUSA-N 1 0 388.552 4.113 20 0 GIADRO CCc1cc(=O)c2cc(NC(=O)c3oc4ccccc4c3C[NH+](C)C)ccc2[nH]1 ZINC000180983353 821573467 /nfs/dbraw/zinc/57/34/67/821573467.db2.gz KULDNZOCTKASKI-UHFFFAOYSA-N 1 0 389.455 4.151 20 0 GIADRO CN(C)c1ccc(NC(=O)NCc2cccc(C[NH+](C)C)c2)c(C(F)(F)F)c1 ZINC000044367130 821578349 /nfs/dbraw/zinc/57/83/49/821578349.db2.gz KGLHQAZLKHCCSP-UHFFFAOYSA-N 1 0 394.441 4.155 20 0 GIADRO C[C@@H](CNC(=O)Nc1ccc(N(C)C)cc1C(F)(F)F)[N@@H+]1CCC[C@H](C)C1 ZINC000044366812 821578472 /nfs/dbraw/zinc/57/84/72/821578472.db2.gz DMLBYBNSHKKJGN-KBPBESRZSA-N 1 0 386.462 4.013 20 0 GIADRO COc1cc(C)c([C@H](C)[NH2+]CCc2nc(-c3ccccn3)cs2)cc1OC ZINC000181012112 821592071 /nfs/dbraw/zinc/59/20/71/821592071.db2.gz CIQMCPBAHLURTR-HNNXBMFYSA-N 1 0 383.517 4.424 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)C[NH2+][C@H](c2cccc(F)c2)C2CCCC2)c1 ZINC000181014052 821594033 /nfs/dbraw/zinc/59/40/33/821594033.db2.gz JBLJVHFLNWKUEG-QFIPXVFZSA-N 1 0 383.467 4.244 20 0 GIADRO Cc1nc(CSc2ccccc2C(=O)NCC[N@H+]2CCC[C@H](C)C2)cs1 ZINC000044533363 821601122 /nfs/dbraw/zinc/60/11/22/821601122.db2.gz CQJFFZMFQBJLOT-HNNXBMFYSA-N 1 0 389.590 4.206 20 0 GIADRO C[C@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc(Br)cc1Br ZINC000044533159 821601129 /nfs/dbraw/zinc/60/11/29/821601129.db2.gz DBSXSPWPJZWTQO-NWDGAFQWSA-N 1 0 390.163 4.204 20 0 GIADRO COC1(C[NH2+]Cc2ccc(Br)cc2SC(C)C)CCOCC1 ZINC000181032062 821602736 /nfs/dbraw/zinc/60/27/36/821602736.db2.gz BHOXAMBQUJILEJ-UHFFFAOYSA-N 1 0 388.371 4.235 20 0 GIADRO COc1ccc(C[C@H](C)C[NH2+][C@H](c2cnn(C)c2)c2cccc(F)c2)cc1OC ZINC000181033865 821604250 /nfs/dbraw/zinc/60/42/50/821604250.db2.gz BAOFCHGMCRUQBS-HJPURHCSSA-N 1 0 397.494 4.134 20 0 GIADRO O=C1C[C@H](C[NH2+]Cc2ccc(Oc3ccccc3)o2)CN1Cc1ccccc1 ZINC000181040111 821607067 /nfs/dbraw/zinc/60/70/67/821607067.db2.gz DWRRUBNIHVNQLW-LJQANCHMSA-N 1 0 376.456 4.210 20 0 GIADRO COC(=O)[C@H](C)C[N@H+](Cc1cc(-c2c(OC)ccc3ccccc32)no1)C1CC1 ZINC000181065056 821615580 /nfs/dbraw/zinc/61/55/80/821615580.db2.gz HKDAGIDYGUWKFV-OAHLLOKOSA-N 1 0 394.471 4.277 20 0 GIADRO O=C1OCCN1c1ccc(C[NH2+][C@H]2CCc3c2cccc3Br)cc1 ZINC000181067026 821616843 /nfs/dbraw/zinc/61/68/43/821616843.db2.gz HOXNVVAOLCJXAV-SFHVURJKSA-N 1 0 387.277 4.183 20 0 GIADRO C[C@@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)[N@H+](C)CCCn1ccnc1 ZINC000181070885 821618334 /nfs/dbraw/zinc/61/83/34/821618334.db2.gz FZOXEKZCEWWQRU-LBPRGKRZSA-N 1 0 380.279 4.323 20 0 GIADRO Cc1ccoc1C(=O)NCCC[NH2+][C@@H](C)c1cc(Cl)ccc1OC(F)F ZINC000181075892 821620438 /nfs/dbraw/zinc/62/04/38/821620438.db2.gz YSNSCLCYKAXUON-LBPRGKRZSA-N 1 0 386.826 4.314 20 0 GIADRO CCC(CC)(CNc1ccc2nnc(C(F)F)n2n1)[NH2+][C@@H](C)c1ccccc1 ZINC000181079306 821622126 /nfs/dbraw/zinc/62/21/26/821622126.db2.gz MCILUWQCYADBJL-AWEZNQCLSA-N 1 0 388.466 4.383 20 0 GIADRO COCC[NH+]1CCC(N[C@@H](c2ccc(OC)cc2)c2ccccc2Cl)CC1 ZINC000181092141 821628666 /nfs/dbraw/zinc/62/86/66/821628666.db2.gz QWTBVSJEKAIPNL-QFIPXVFZSA-N 1 0 388.939 4.138 20 0 GIADRO C[C@@H](c1nc2ccccc2o1)[N@H+](C)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000181109087 821638289 /nfs/dbraw/zinc/63/82/89/821638289.db2.gz SZMDNBBEHRAZIF-ZFWWWQNUSA-N 1 0 394.393 4.279 20 0 GIADRO C[C@@H](c1nc2ccccc2o1)[N@H+](C)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000181114388 821641411 /nfs/dbraw/zinc/64/14/11/821641411.db2.gz QPSVBRXXUYGZSQ-KBPBESRZSA-N 1 0 394.393 4.279 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]C1CCC(S(C)(=O)=O)CC1 ZINC000181115600 821642084 /nfs/dbraw/zinc/64/20/84/821642084.db2.gz RTCHEOFRCDEZKY-AXOLYNHLSA-N 1 0 396.553 4.264 20 0 GIADRO C[C@@H]([NH2+]C1CCC(S(C)(=O)=O)CC1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000181118282 821643585 /nfs/dbraw/zinc/64/35/85/821643585.db2.gz PVUSVPBFJYCVEC-RMNLLRHXSA-N 1 0 394.364 4.095 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)CC1 ZINC000181119887 821644990 /nfs/dbraw/zinc/64/49/90/821644990.db2.gz JDRIEBMAUFXGIT-UHFFFAOYSA-N 1 0 393.482 4.476 20 0 GIADRO Cc1ncc(C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)n1-c1ccccc1 ZINC000181120710 821645646 /nfs/dbraw/zinc/64/56/46/821645646.db2.gz KDNPIISIJMGXMW-UHFFFAOYSA-N 1 0 389.425 4.233 20 0 GIADRO FC(F)(F)c1ccn(C2CC[NH+](Cc3c(C4CC4)nc4sccn34)CC2)n1 ZINC000181124404 821648509 /nfs/dbraw/zinc/64/85/09/821648509.db2.gz YWINSERQGXUUHP-UHFFFAOYSA-N 1 0 395.454 4.326 20 0 GIADRO COc1cccc([C@H](CNC(=O)c2ccc(COC(C)C)cc2)[NH+]2CCCC2)c1 ZINC000044721795 821649359 /nfs/dbraw/zinc/64/93/59/821649359.db2.gz OHLVQOAMIDDMDA-QHCPKHFHSA-N 1 0 396.531 4.187 20 0 GIADRO C[C@H]([NH2+]CCCOC1CCOCC1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000181129286 821651144 /nfs/dbraw/zinc/65/11/44/821651144.db2.gz GWCBWJPXIAQRPW-FXAWDEMLSA-N 1 0 395.515 4.010 20 0 GIADRO COc1ccc2ccccc2c1-c1cc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)on1 ZINC000181150076 821665087 /nfs/dbraw/zinc/66/50/87/821665087.db2.gz AYQATQWXMOSFGU-AVRDEDQJSA-N 1 0 391.515 4.420 20 0 GIADRO C[C@@H]([NH2+]CCCN1C(=O)COc2ccccc21)c1cccc(-c2ccncc2)c1 ZINC000181152679 821666373 /nfs/dbraw/zinc/66/63/73/821666373.db2.gz NOJARDZCDMSVEF-GOSISDBHSA-N 1 0 387.483 4.215 20 0 GIADRO C[C@@H]1CCN(C(=O)CCc2ccc3[nH]ccc3c2)CC[N@@H+]1Cc1ccccc1 ZINC000181152542 821666388 /nfs/dbraw/zinc/66/63/88/821666388.db2.gz XSXAMCWDPRBQTO-LJQANCHMSA-N 1 0 375.516 4.224 20 0 GIADRO C[C@@H]([NH2+]CCCN1C(=O)COc2ccccc21)c1nc(-c2ccccc2)cs1 ZINC000181151939 821666393 /nfs/dbraw/zinc/66/63/93/821666393.db2.gz BEEGDUOFBKFQAQ-MRXNPFEDSA-N 1 0 393.512 4.276 20 0 GIADRO C[C@H](c1nc2ccccc2o1)[NH+]1CCC(C(=O)NCCc2cccs2)CC1 ZINC000181160141 821671537 /nfs/dbraw/zinc/67/15/37/821671537.db2.gz ZIUKSPZMWNYAKE-OAHLLOKOSA-N 1 0 383.517 4.021 20 0 GIADRO CC(C)n1cc([C@@H](C)[NH2+][C@@H](Cc2ccccc2)C(=O)N(C)c2ccccc2)cn1 ZINC000181163218 821673114 /nfs/dbraw/zinc/67/31/14/821673114.db2.gz ZRGBRDWBTCQYFV-XXBNENTESA-N 1 0 390.531 4.389 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)[NH+]1CCCC1 ZINC000044867768 821674242 /nfs/dbraw/zinc/67/42/42/821674242.db2.gz OHMGYTCEOCEMRT-BQFCYCMXSA-N 1 0 398.469 4.317 20 0 GIADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@H](C)Oc1cccc(Cl)c1 ZINC000181173651 821678338 /nfs/dbraw/zinc/67/83/38/821678338.db2.gz DJFIRPPJSAYNTH-OLZOCXBDSA-N 1 0 382.291 4.163 20 0 GIADRO CC[C@H](C)[C@@H](C)C(=O)Nc1ccc(Cl)c(C(=O)NCC[NH+](CC)CC)c1 ZINC000181176716 821679784 /nfs/dbraw/zinc/67/97/84/821679784.db2.gz VNNZZLNANJSJEP-LSDHHAIUSA-N 1 0 381.948 4.032 20 0 GIADRO C[C@H](C[NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(F)c1)Oc1ccccc1Cl ZINC000181182313 821682236 /nfs/dbraw/zinc/68/22/36/821682236.db2.gz OJZNBMJSZGMBAH-CHWSQXEVSA-N 1 0 385.888 4.001 20 0 GIADRO O=C(C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1)Nc1ccc(F)c(Cl)c1 ZINC000181185455 821684025 /nfs/dbraw/zinc/68/40/25/821684025.db2.gz SGFFFPZTSYOHHV-KUHUBIRLSA-N 1 0 376.859 4.175 20 0 GIADRO COc1ccc2ccccc2c1-c1cc(C[NH+]2CCC(OC(C)=O)CC2)on1 ZINC000181189340 821685495 /nfs/dbraw/zinc/68/54/95/821685495.db2.gz HFFKWHGJXMFSMG-UHFFFAOYSA-N 1 0 380.444 4.031 20 0 GIADRO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000181188349 821685536 /nfs/dbraw/zinc/68/55/36/821685536.db2.gz OTOAGERVZNYYTJ-FGSXEWAUSA-N 1 0 384.495 4.103 20 0 GIADRO C[NH+]1CCN(c2ccccc2NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)CC1 ZINC000045000875 821687325 /nfs/dbraw/zinc/68/73/25/821687325.db2.gz BHSCZPHBLMWLEZ-UHFFFAOYSA-N 1 0 388.515 4.051 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]C[C@H](OC)c2cccc(Cl)c2)cc1NC(C)=O ZINC000181196606 821690520 /nfs/dbraw/zinc/69/05/20/821690520.db2.gz PIGSQDRTNJBVGQ-XCLFUZPHSA-N 1 0 376.884 4.345 20 0 GIADRO C[C@H]([NH2+]CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1nccs1 ZINC000181199049 821692429 /nfs/dbraw/zinc/69/24/29/821692429.db2.gz IDRIKUFLVOJFNI-HNNXBMFYSA-N 1 0 398.498 4.025 20 0 GIADRO CC(C)[C@H](NC(=O)C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)c1ccccc1 ZINC000181219247 821703816 /nfs/dbraw/zinc/70/38/16/821703816.db2.gz KPACTYZZGJRSAQ-KWOQKUFVSA-N 1 0 380.532 4.257 20 0 GIADRO CC(C)C[C@@H]([NH2+]CC1(CS(C)(=O)=O)CC1)c1cccc(C(F)(F)F)c1 ZINC000181223825 821704896 /nfs/dbraw/zinc/70/48/96/821704896.db2.gz XJTUBJGPPYOSPD-MRXNPFEDSA-N 1 0 377.472 4.207 20 0 GIADRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC000181228201 821707224 /nfs/dbraw/zinc/70/72/24/821707224.db2.gz ZVVSBQJANCURBR-LBPRGKRZSA-N 1 0 398.981 4.247 20 0 GIADRO O=C(C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1)Nc1ccc(F)cc1Cl ZINC000181236727 821712139 /nfs/dbraw/zinc/71/21/39/821712139.db2.gz ZEDPDUJEIHYGAS-LIRRHRJNSA-N 1 0 376.859 4.175 20 0 GIADRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]Cc1ccccc1N1CCCCC1 ZINC000181267261 821724978 /nfs/dbraw/zinc/72/49/78/821724978.db2.gz VHCWIEIOJWYWKF-INIZCTEOSA-N 1 0 386.927 4.232 20 0 GIADRO Cc1cccc(C)c1NC(=O)CCC[NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000181269171 821725521 /nfs/dbraw/zinc/72/55/21/821725521.db2.gz GNJIIIMPMSETFQ-GOSISDBHSA-N 1 0 395.503 4.330 20 0 GIADRO CC(C)c1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)cc1 ZINC000181271192 821726266 /nfs/dbraw/zinc/72/62/66/821726266.db2.gz RDMGHQSUALKVIG-MRXNPFEDSA-N 1 0 381.476 4.056 20 0 GIADRO C[C@H]([NH2+]CC(=O)N[C@H]1CCOc2ccccc21)c1ccc(-c2cccnc2)cc1 ZINC000181274413 821727706 /nfs/dbraw/zinc/72/77/06/821727706.db2.gz GRIOOVSRBXRQAT-JTSKRJEESA-N 1 0 387.483 4.039 20 0 GIADRO Cc1cc2oc(=O)cc(C[NH2+][C@H](C)c3ccc(N4CCOC4=O)cc3)c2cc1C ZINC000181284451 821734483 /nfs/dbraw/zinc/73/44/83/821734483.db2.gz HBBVREIMHZCLCN-MRXNPFEDSA-N 1 0 392.455 4.217 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(c2c(F)cccc2F)C1=O)c1ccc(-c2cccnc2)cc1 ZINC000181291453 821738727 /nfs/dbraw/zinc/73/87/27/821738727.db2.gz FKUDSJVOYSVWMR-YCRPNKLZSA-N 1 0 393.437 4.483 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc(-c2cccnc2)cc1)C(=O)NCc1ccc(F)cc1 ZINC000181295387 821740790 /nfs/dbraw/zinc/74/07/90/821740790.db2.gz HTAKASDJCRISIM-IAGOWNOFSA-N 1 0 377.463 4.243 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000181306391 821746504 /nfs/dbraw/zinc/74/65/04/821746504.db2.gz ZBPWHQRWAAFROA-RYUDHWBXSA-N 1 0 383.414 4.245 20 0 GIADRO CCOc1ccccc1NC(=O)C[NH2+][C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000181308146 821747060 /nfs/dbraw/zinc/74/70/60/821747060.db2.gz HKPIFIAFYFDFFQ-QGZVFWFLSA-N 1 0 375.472 4.437 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)COCc1ccccc1F)c1ccc(-c2cccnc2)cc1 ZINC000181313223 821751869 /nfs/dbraw/zinc/75/18/69/821751869.db2.gz YGSZORSBDCMNEQ-HTAPYJJXSA-N 1 0 380.463 4.116 20 0 GIADRO C[C@@H]([NH2+]C[C@H](O)COCc1ccccc1F)c1ccc(-c2cccnc2)cc1 ZINC000181313204 821752145 /nfs/dbraw/zinc/75/21/45/821752145.db2.gz YGSZORSBDCMNEQ-VGSWGCGISA-N 1 0 380.463 4.116 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1ccnn1C1CCCC1)c1ccc(-c2cccnc2)cc1 ZINC000181317540 821755349 /nfs/dbraw/zinc/75/53/49/821755349.db2.gz MGBWNTAHWQJLCO-QGZVFWFLSA-N 1 0 389.503 4.350 20 0 GIADRO Cc1cc2oc(=O)cc(C[NH2+][C@@H](C)c3cccc(N4CCOC4=O)c3)c2cc1C ZINC000181318275 821756157 /nfs/dbraw/zinc/75/61/57/821756157.db2.gz XYBKXMKWNPSXPI-INIZCTEOSA-N 1 0 392.455 4.217 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1)C(=O)N1CCc2ccccc2C1 ZINC000181320623 821756751 /nfs/dbraw/zinc/75/67/51/821756751.db2.gz OSQTVMIOMUXFAN-OALUTQOASA-N 1 0 385.511 4.373 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCc2ccccc2C1)c1ccc(-c2cccnc2)cc1 ZINC000181320642 821757343 /nfs/dbraw/zinc/75/73/43/821757343.db2.gz OSQTVMIOMUXFAN-MOPGFXCFSA-N 1 0 385.511 4.373 20 0 GIADRO COCCOc1ccc([C@H](C)[NH2+][C@H]2CCCOc3c(F)cccc32)cc1OC ZINC000181321717 821758246 /nfs/dbraw/zinc/75/82/46/821758246.db2.gz ORBLGDHXPZXHAV-KXBFYZLASA-N 1 0 389.467 4.424 20 0 GIADRO COc1cccc2[nH]cc(CC[NH2+][C@H](C)c3cccc(N4CCOC4=O)c3)c21 ZINC000181331757 821764581 /nfs/dbraw/zinc/76/45/81/821764581.db2.gz RFIGJNQPNLEMDZ-OAHLLOKOSA-N 1 0 379.460 4.026 20 0 GIADRO Cc1ccc2c(C[NH2+][C@H](C)c3cccc(N4CCOC4=O)c3)cc(=O)oc2c1C ZINC000181335798 821767829 /nfs/dbraw/zinc/76/78/29/821767829.db2.gz GMIMVRWVUJYASI-MRXNPFEDSA-N 1 0 392.455 4.217 20 0 GIADRO C[C@@H]([NH2+]Cc1nc2ccccc2n1C(F)F)c1ccc(N2CCCC2=O)cc1 ZINC000181340109 821770786 /nfs/dbraw/zinc/77/07/86/821770786.db2.gz ATNHKZIDRILFNN-CQSZACIVSA-N 1 0 384.430 4.409 20 0 GIADRO Cc1cccc(C)c1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000181354769 821782556 /nfs/dbraw/zinc/78/25/56/821782556.db2.gz KKVICLKJOQTDOT-ROUUACIJSA-N 1 0 379.504 4.108 20 0 GIADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]Cc1nc(C2CC2)cs1 ZINC000181366535 821790361 /nfs/dbraw/zinc/79/03/61/821790361.db2.gz MVZAZGUZJYTNNP-NSHDSACASA-N 1 0 394.338 4.290 20 0 GIADRO CSc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000181374213 821793716 /nfs/dbraw/zinc/79/37/16/821793716.db2.gz GOJWDZNWZLLSNK-JKSUJKDBSA-N 1 0 397.544 4.213 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+]Cc2c(C)nn(Cc3ccccc3)c2C)s1 ZINC000181373391 821793745 /nfs/dbraw/zinc/79/37/45/821793745.db2.gz KRWITODJNCMZFI-MRXNPFEDSA-N 1 0 398.576 4.353 20 0 GIADRO CC(C)OC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000181379698 821796088 /nfs/dbraw/zinc/79/60/88/821796088.db2.gz RDRNSAVMVATYMF-KRWDZBQOSA-N 1 0 380.488 4.229 20 0 GIADRO CSc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000181382148 821796673 /nfs/dbraw/zinc/79/66/73/821796673.db2.gz FMOJKVCAYDJECP-JKSUJKDBSA-N 1 0 397.544 4.213 20 0 GIADRO CSc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000181382129 821796710 /nfs/dbraw/zinc/79/67/10/821796710.db2.gz FMOJKVCAYDJECP-CVEARBPZSA-N 1 0 397.544 4.213 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+]CCOc2cccc(Br)c2)s1 ZINC000181398456 821806523 /nfs/dbraw/zinc/80/65/23/821806523.db2.gz FPTMDXOPEAPNHQ-LBPRGKRZSA-N 1 0 399.354 4.133 20 0 GIADRO OC[C@H]([NH2+][C@H]1CCSc2ccc(F)cc21)c1cccc(Br)c1 ZINC000181400533 821807457 /nfs/dbraw/zinc/80/74/57/821807457.db2.gz HMPZKSLZRSVYGG-HOTGVXAUSA-N 1 0 382.298 4.448 20 0 GIADRO COc1cc(C)c([C@H](C)[NH2+][C@@H](CO)c2cccc(Br)c2)cc1OC ZINC000181400812 821807623 /nfs/dbraw/zinc/80/76/23/821807623.db2.gz GJLDRGQLCSOBGH-GUYCJALGSA-N 1 0 394.309 4.159 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+]C[C@@H](c2ccc(C)cc2)N2CCCC2)s1 ZINC000181405002 821808427 /nfs/dbraw/zinc/80/84/27/821808427.db2.gz WCSPGISMLORRKJ-PXNSSMCTSA-N 1 0 387.593 4.437 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+]CC(C)(C)c2ccc3c(c2)OCCO3)s1 ZINC000181404728 821808683 /nfs/dbraw/zinc/80/86/83/821808683.db2.gz UKWXXPPHIFPEBP-CQSZACIVSA-N 1 0 390.549 4.040 20 0 GIADRO CCc1ccc(-c2noc(CN[C@@H](C)c3cccc(N4CCCC4=O)c3)n2)cc1 ZINC000181406325 821809028 /nfs/dbraw/zinc/80/90/28/821809028.db2.gz XNYCGZKOLQFGGR-INIZCTEOSA-N 1 0 390.487 4.277 20 0 GIADRO C[C@H]([NH2+]C[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)nc1 ZINC000181407982 821809563 /nfs/dbraw/zinc/80/95/63/821809563.db2.gz RZTMFQYOVMHROI-JSGCOSHPSA-N 1 0 388.817 4.135 20 0 GIADRO C[C@H](NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(F)c(Br)c1 ZINC000181416753 821814346 /nfs/dbraw/zinc/81/43/46/821814346.db2.gz LPZZSNPZQWPJKM-AGRHKRQWSA-N 1 0 399.348 4.007 20 0 GIADRO C[C@H](NC(=O)CCC(=O)c1ccc(Cl)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181429356 821822138 /nfs/dbraw/zinc/82/21/38/821822138.db2.gz JNFFREBOEMPRFU-RDJZCZTQSA-N 1 0 376.928 4.072 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(SC(=O)N(C)C)c1)c1cccc(N2CCCC2=O)c1 ZINC000181433264 821824815 /nfs/dbraw/zinc/82/48/15/821824815.db2.gz KRIOCVLQJRPUQY-INIZCTEOSA-N 1 0 397.544 4.438 20 0 GIADRO COc1ccc(-c2ncc(C(=O)N[C@@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)s2)cc1 ZINC000181433582 821825414 /nfs/dbraw/zinc/82/54/14/821825414.db2.gz UHNNQAAWJIOJER-DOTOQJQBSA-N 1 0 399.560 4.202 20 0 GIADRO Cc1cc(C)c(NC(=O)C[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)c(Cl)c1 ZINC000181448063 821830302 /nfs/dbraw/zinc/83/03/02/821830302.db2.gz CLRCTYRNQKKFBP-MRXNPFEDSA-N 1 0 399.922 4.373 20 0 GIADRO O=c1cc(C[NH2+][C@H](CCCCc2ccccc2)c2ccccc2)[nH]c2ccnn21 ZINC000181454074 821833034 /nfs/dbraw/zinc/83/30/34/821833034.db2.gz NNQLTKNXNHUOCP-JOCHJYFZSA-N 1 0 386.499 4.267 20 0 GIADRO C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000181458054 821834888 /nfs/dbraw/zinc/83/48/88/821834888.db2.gz CVHQWNSXZCMKBQ-WQGACYEGSA-N 1 0 392.849 4.169 20 0 GIADRO Cc1ccc(-c2cnc(CCC(=O)N[C@@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)o2)cc1 ZINC000181459247 821835348 /nfs/dbraw/zinc/83/53/48/821835348.db2.gz PDTONNBMSOKMAD-ICSRJNTNSA-N 1 0 395.547 4.352 20 0 GIADRO Cc1cccc([C@@H](C)[NH2+]Cc2ccc(Br)cc2N2CCOCC2)c1 ZINC000181459295 821835734 /nfs/dbraw/zinc/83/57/34/821835734.db2.gz UFQWBNCNPHOGHQ-MRXNPFEDSA-N 1 0 389.337 4.445 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(Br)cc1N1CCOCC1)c1cccs1 ZINC000181459348 821835917 /nfs/dbraw/zinc/83/59/17/821835917.db2.gz LAVJRNAGYUXQLO-ZDUSSCGKSA-N 1 0 381.339 4.198 20 0 GIADRO C[C@H]([NH2+]Cc1cccc2c1OCCCO2)c1ccc(OCc2nccn2C)cc1 ZINC000181460762 821836610 /nfs/dbraw/zinc/83/66/10/821836610.db2.gz BTFXELKSYCIAHE-KRWDZBQOSA-N 1 0 393.487 4.011 20 0 GIADRO C[C@@H](NC(=O)CCc1ccc(OC(F)(F)F)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181461292 821836979 /nfs/dbraw/zinc/83/69/79/821836979.db2.gz WWSJKFIMKKBHFA-WBVHZDCISA-N 1 0 398.469 4.287 20 0 GIADRO C[C@H](NC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181480436 821844921 /nfs/dbraw/zinc/84/49/21/821844921.db2.gz UEECKYFHMAYCDV-HDEZJCGLSA-N 1 0 378.919 4.352 20 0 GIADRO C[C@@H](NC(=O)c1cc2c(cccc2OC(F)F)[nH]1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181492937 821851922 /nfs/dbraw/zinc/85/19/22/821851922.db2.gz XMXORFXYLSCTFR-ZIAGYGMSSA-N 1 0 391.462 4.152 20 0 GIADRO CC(C)[C@@H]([NH2+]Cc1cc(=O)n2ccccc2n1)c1ccc(C(F)(F)F)cc1 ZINC000181505280 821857051 /nfs/dbraw/zinc/85/70/51/821857051.db2.gz IDJYBJKWKDVVIQ-LJQANCHMSA-N 1 0 375.394 4.200 20 0 GIADRO CCCc1ccc(C(=O)CCC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000181518409 821864175 /nfs/dbraw/zinc/86/41/75/821864175.db2.gz BJRLUBXNTAGHHJ-RXVVDRJESA-N 1 0 384.564 4.371 20 0 GIADRO COCc1ccccc1CNC(=O)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000181526035 821866513 /nfs/dbraw/zinc/86/65/13/821866513.db2.gz GMMIZGUYVIWWRU-ZDUSSCGKSA-N 1 0 381.303 4.107 20 0 GIADRO COc1cccc2cc([C@@H](C)[NH2+]Cc3ccc(-n4nc(C)cc4C)nc3)oc21 ZINC000181526071 821866633 /nfs/dbraw/zinc/86/66/33/821866633.db2.gz WAXHVWLVEFOXRW-MRXNPFEDSA-N 1 0 376.460 4.490 20 0 GIADRO C[C@H](c1ccccc1)[C@H](C)[NH2+]CC(=O)Nc1cc2c(cc1Cl)OCCCO2 ZINC000181527316 821867469 /nfs/dbraw/zinc/86/74/69/821867469.db2.gz XIEBBUKWCGSPBK-GJZGRUSLSA-N 1 0 388.895 4.222 20 0 GIADRO Cc1c(Br)cccc1C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181530892 821868448 /nfs/dbraw/zinc/86/84/48/821868448.db2.gz MJHZVKVBAUVFTJ-LSDHHAIUSA-N 1 0 379.342 4.140 20 0 GIADRO Cc1cc(C[C@H](C)[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)n(-c2ccccc2)n1 ZINC000181530688 821868754 /nfs/dbraw/zinc/86/87/54/821868754.db2.gz MFAVSUPBLHLCEW-PKOBYXMFSA-N 1 0 386.503 4.043 20 0 GIADRO COc1cc(OC)c(C[NH+]2CCC(OCc3ccc(F)cc3)CC2)c(OC)c1 ZINC000181531078 821868993 /nfs/dbraw/zinc/86/89/93/821868993.db2.gz UXRJECDLUGRIRL-UHFFFAOYSA-N 1 0 389.467 4.033 20 0 GIADRO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000181536809 821871794 /nfs/dbraw/zinc/87/17/94/821871794.db2.gz WALHOHQOSXSKRX-LRDDRELGSA-N 1 0 395.425 4.081 20 0 GIADRO C[C@@H]([NH2+]Cc1nc(C(C)(C)NC(=O)OC(C)(C)C)no1)[C@H](C)c1ccccc1 ZINC000181538521 821872921 /nfs/dbraw/zinc/87/29/21/821872921.db2.gz KVKNOOVKWNOTNH-LSDHHAIUSA-N 1 0 388.512 4.111 20 0 GIADRO Cc1cccc(NC(=O)C[C@H](C)[NH2+]CCOc2ncccc2C(F)(F)F)c1C ZINC000181539263 821873191 /nfs/dbraw/zinc/87/31/91/821873191.db2.gz CIMCIZMVTFYEPI-AWEZNQCLSA-N 1 0 395.425 4.103 20 0 GIADRO COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)N1CCC[N@H+](C)CC1 ZINC000181542768 821874410 /nfs/dbraw/zinc/87/44/10/821874410.db2.gz YIRGAVWDKYDXDH-UHFFFAOYSA-N 1 0 387.455 4.104 20 0 GIADRO Cc1cc(C(=O)CCC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(C)s1 ZINC000181543411 821874716 /nfs/dbraw/zinc/87/47/16/821874716.db2.gz RCVCYIVFTLEJEH-NVXWUHKLSA-N 1 0 376.566 4.097 20 0 GIADRO C[C@H]([NH2+]CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1)c1cccc(O)c1 ZINC000181549282 821876930 /nfs/dbraw/zinc/87/69/30/821876930.db2.gz RDEFSLPNYVMRJH-LHSJRXKWSA-N 1 0 384.476 4.149 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1)c1cccc(O)c1 ZINC000181549299 821877046 /nfs/dbraw/zinc/87/70/46/821877046.db2.gz RDEFSLPNYVMRJH-SPLOXXLWSA-N 1 0 384.476 4.149 20 0 GIADRO C[C@@H]([NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1)[C@H](O)Cc1ccccc1 ZINC000181552349 821878097 /nfs/dbraw/zinc/87/80/97/821878097.db2.gz URNFEOWCARHSSK-OPAMFIHVSA-N 1 0 390.930 4.025 20 0 GIADRO COc1ccccc1COC1CC[NH+](Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000181552806 821878412 /nfs/dbraw/zinc/87/84/12/821878412.db2.gz BVZUTJBEYVXIJC-UHFFFAOYSA-N 1 0 395.478 4.201 20 0 GIADRO C[C@@H]([NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1)[C@@H](O)Cc1ccccc1 ZINC000181552386 821878730 /nfs/dbraw/zinc/87/87/30/821878730.db2.gz URNFEOWCARHSSK-ZHRRBRCNSA-N 1 0 390.930 4.025 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](c1ccccc1)C(C)(C)CO)c1cnn(Cc2ccccc2)c1 ZINC000181553363 821878778 /nfs/dbraw/zinc/87/87/78/821878778.db2.gz SZLCPMNZKFFLDK-XXBNENTESA-N 1 0 377.532 4.384 20 0 GIADRO CCOc1cc(C[NH+]2CCC(OCc3ccccc3OC)CC2)ccc1OC ZINC000181553060 821878817 /nfs/dbraw/zinc/87/88/17/821878817.db2.gz SDABTCGRVNBBCX-UHFFFAOYSA-N 1 0 385.504 4.284 20 0 GIADRO C[C@H]([NH2+]C[C@H](c1ccccc1)C(C)(C)CO)c1ccc(NC(=O)NC2CC2)cc1 ZINC000181556864 821880068 /nfs/dbraw/zinc/88/00/68/821880068.db2.gz SJJVGMOQSQJDIL-HTAPYJJXSA-N 1 0 395.547 4.423 20 0 GIADRO C[C@@H]([NH2+]C[C@H](c1ccccc1)C(C)(C)CO)c1ccc(NC(=O)NC2CC2)cc1 ZINC000181556883 821880082 /nfs/dbraw/zinc/88/00/82/821880082.db2.gz SJJVGMOQSQJDIL-VGOFRKELSA-N 1 0 395.547 4.423 20 0 GIADRO CC(C)Oc1ccc2ccccc2c1C[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000181557682 821880199 /nfs/dbraw/zinc/88/01/99/821880199.db2.gz BMEBHBWPZBXBNA-MRXNPFEDSA-N 1 0 398.528 4.125 20 0 GIADRO COc1c(C)ccc(NC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)c1C ZINC000181560691 821880934 /nfs/dbraw/zinc/88/09/34/821880934.db2.gz RTDAKZWORUVBIF-UHFFFAOYSA-N 1 0 396.535 4.477 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CCc1nnc(-c2ccccc2)o1 ZINC000181562934 821882046 /nfs/dbraw/zinc/88/20/46/821882046.db2.gz KETXTAGSPPYDPQ-CQSZACIVSA-N 1 0 391.500 4.457 20 0 GIADRO CC[C@@H]([NH2+]Cc1cccc(C(=O)NC)c1)c1cc(F)cc(Br)c1 ZINC000181584805 821890129 /nfs/dbraw/zinc/89/01/29/821890129.db2.gz XTZYGNAHWOZIIX-QGZVFWFLSA-N 1 0 379.273 4.189 20 0 GIADRO C[C@H](c1ccncc1)N1CCC([NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)CC1 ZINC000181590060 821892905 /nfs/dbraw/zinc/89/29/05/821892905.db2.gz LNRYBTSRDFAMPK-RBUKOAKNSA-N 1 0 392.547 4.085 20 0 GIADRO COc1ccc(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1Cc1ccccc1 ZINC000181593411 821894674 /nfs/dbraw/zinc/89/46/74/821894674.db2.gz GAFZSAFWQFGROS-HXUWFJFHSA-N 1 0 393.531 4.236 20 0 GIADRO Cc1noc(C)c1[C@@H](C)C[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000181630291 821913121 /nfs/dbraw/zinc/91/31/21/821913121.db2.gz MMWBVMXZHUGDBJ-ZDUSSCGKSA-N 1 0 379.907 4.442 20 0 GIADRO C[C@@H](NC(=O)c1cnn(-c2ccccc2)c1C1CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181633455 821914335 /nfs/dbraw/zinc/91/43/35/821914335.db2.gz CAFMFYLJBYEIOH-IEBWSBKVSA-N 1 0 392.547 4.133 20 0 GIADRO C[C@H](NC(=O)C1(c2ccc(F)cc2F)CCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181635881 821915818 /nfs/dbraw/zinc/91/58/18/821915818.db2.gz JHGNYKBUOBDWSO-JKSUJKDBSA-N 1 0 376.491 4.156 20 0 GIADRO CC(C)[C@@H](C)NC(=O)C1CC[NH+](CCCc2ccccc2Br)CC1 ZINC000181647973 821921487 /nfs/dbraw/zinc/92/14/87/821921487.db2.gz DWKDTVAERZUMGW-MRXNPFEDSA-N 1 0 395.385 4.254 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1nc(CN2CCCC2)cs1)c1cccc2ccccc21 ZINC000181650692 821923054 /nfs/dbraw/zinc/92/30/54/821923054.db2.gz TZIZNAVCSCUTFS-INIZCTEOSA-N 1 0 394.544 4.181 20 0 GIADRO COCCC[NH+]1CCC(N[C@@H](C)c2cc3cc(Br)ccc3o2)CC1 ZINC000181660342 821928355 /nfs/dbraw/zinc/92/83/55/821928355.db2.gz BBUMKYGTOMAHRV-AWEZNQCLSA-N 1 0 395.341 4.347 20 0 GIADRO CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H](C)c1sc(C(C)C)nc1C ZINC000181660578 821928821 /nfs/dbraw/zinc/92/88/21/821928821.db2.gz ODRQCQYWEZQONH-GDBMZVCRSA-N 1 0 380.579 4.478 20 0 GIADRO Cc1ccccc1[C@H](OC[C@H](O)C[NH2+][C@@H](C)c1cccnc1)c1ccccc1 ZINC000181663051 821930011 /nfs/dbraw/zinc/93/00/11/821930011.db2.gz UKYGFHBGSOPSCA-BPUDTRNYSA-N 1 0 376.500 4.208 20 0 GIADRO CCOc1cccc2cc([C@@H](C)[NH2+]CCCc3nnc4n3CCCCC4)oc21 ZINC000181668827 821934815 /nfs/dbraw/zinc/93/48/15/821934815.db2.gz GUTDBGJQPFGZNC-MRXNPFEDSA-N 1 0 382.508 4.433 20 0 GIADRO COC(=O)c1ccc(CN[C@@H](C)c2nc(-c3ccccc3)cs2)cc1OC ZINC000181686167 821943821 /nfs/dbraw/zinc/94/38/21/821943821.db2.gz HQHAVBVWKLJOIR-AWEZNQCLSA-N 1 0 382.485 4.456 20 0 GIADRO C[N@H+](CCc1ccc(Br)cc1)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000181694696 821947187 /nfs/dbraw/zinc/94/71/87/821947187.db2.gz XICFBYXUOLRAMU-UHFFFAOYSA-N 1 0 395.385 4.208 20 0 GIADRO CC(C)(C)C(=O)N1CCC(C[N@@H+](Cc2ccccc2)CC2CCOCC2)CC1 ZINC000181697737 821948364 /nfs/dbraw/zinc/94/83/64/821948364.db2.gz YLIOKRKEYBWXIJ-UHFFFAOYSA-N 1 0 386.580 4.200 20 0 GIADRO Cc1c([C@@H](C)[NH2+][C@H]2CCN(c3ccccn3)C2)cnn1-c1cccc(Cl)c1 ZINC000181698180 821948614 /nfs/dbraw/zinc/94/86/14/821948614.db2.gz QCBIOTAJFWXCSU-QAPCUYQASA-N 1 0 381.911 4.159 20 0 GIADRO c1ccc(-c2nc3c(s2)[C@H]([NH2+][C@H]2CCN(c4ccccn4)C2)CCC3)cc1 ZINC000181704062 821951272 /nfs/dbraw/zinc/95/12/72/821951272.db2.gz TWMHTDXRZAXASO-ZWKOTPCHSA-N 1 0 376.529 4.451 20 0 GIADRO C[C@@H]([NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)c1ccc(N2CCOC2=O)cc1 ZINC000181706666 821952348 /nfs/dbraw/zinc/95/23/48/821952348.db2.gz ARZHKGHALRVJLP-KGVIQGDOSA-N 1 0 380.488 4.462 20 0 GIADRO CC[C@H]([NH2+]CC(=O)N[C@H](c1nccs1)c1ccccc1)c1ccc(C)cc1 ZINC000181711291 821955171 /nfs/dbraw/zinc/95/51/71/821955171.db2.gz ZVQZACACPAQKTH-FPOVZHCZSA-N 1 0 379.529 4.398 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)Cc2ccccc2C(F)(F)F)C1 ZINC000181722237 821961449 /nfs/dbraw/zinc/96/14/49/821961449.db2.gz CFYWQAFLURLHLH-HOTGVXAUSA-N 1 0 385.474 4.010 20 0 GIADRO CN(C)c1cccc(C[NH2+][C@H]2CCSc3ccc(Br)cc32)n1 ZINC000181735907 821968792 /nfs/dbraw/zinc/96/87/92/821968792.db2.gz MAEVGRYAHNMDCZ-HNNXBMFYSA-N 1 0 378.339 4.237 20 0 GIADRO CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000181739200 821970243 /nfs/dbraw/zinc/97/02/43/821970243.db2.gz BMWBCBWKASEZCD-OAQYLSRUSA-N 1 0 396.579 4.478 20 0 GIADRO CCC(CC)[C@@H]1C[C@H](NC(=O)Nc2ccc(C)cc2OCC[NH+](C)C)CCO1 ZINC000181739667 821970926 /nfs/dbraw/zinc/97/09/26/821970926.db2.gz SMNMHVVRAABYPN-QUCCMNQESA-N 1 0 391.556 4.041 20 0 GIADRO CCCCC[C@H]([NH2+]CC(=O)Nc1cccc(C(=O)N(C)C)c1)c1ccccc1 ZINC000181745773 821973038 /nfs/dbraw/zinc/97/30/38/821973038.db2.gz QYZCGFWIGYEQTE-NRFANRHFSA-N 1 0 381.520 4.238 20 0 GIADRO O=S1(=O)CCC(C[NH2+][C@@H](Cc2ccc(F)cc2)c2ccccc2Cl)CC1 ZINC000181762162 821981064 /nfs/dbraw/zinc/98/10/64/821981064.db2.gz AAUOJNTZMIIKGY-FQEVSTJZSA-N 1 0 395.927 4.177 20 0 GIADRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(Oc2cccnc2)c(C)c1 ZINC000181763723 821981685 /nfs/dbraw/zinc/98/16/85/821981685.db2.gz SZFZPXBRQYVEMV-RBUKOAKNSA-N 1 0 380.492 4.273 20 0 GIADRO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(Br)s1 ZINC000181800169 821997701 /nfs/dbraw/zinc/99/77/01/821997701.db2.gz DSXGERWVIDRTQS-HIFRSBDPSA-N 1 0 393.350 4.210 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N[C@H](c1nccs1)c1ccccc1)C(C)(C)c1ccccc1 ZINC000181802683 821998626 /nfs/dbraw/zinc/99/86/26/821998626.db2.gz NRWFMJXPXPWZHT-UTKZUKDTSA-N 1 0 393.556 4.305 20 0 GIADRO O=C(Nc1ccc(OCc2ccccc2F)cc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000181807449 822000692 /nfs/dbraw/zinc/00/06/92/822000692.db2.gz HAJFVLPQFTYOGD-SFHVURJKSA-N 1 0 397.494 4.354 20 0 GIADRO Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@H]1CC(=O)N(Cc3ccccc3)C1)CCCO2 ZINC000181808543 822001177 /nfs/dbraw/zinc/00/11/77/822001177.db2.gz LQJKNZKLYCTDGU-IRLDBZIGSA-N 1 0 378.516 4.155 20 0 GIADRO C[C@H]([NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1)c1cccc(-c2ccncc2)c1 ZINC000181817042 822004819 /nfs/dbraw/zinc/00/48/19/822004819.db2.gz RJBXTVPSMIFBKN-PZJWPPBQSA-N 1 0 385.511 4.448 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N(C)[C@@H](C)c1ccc(F)cc1)c1cccc(N2CCCC2)c1 ZINC000181859994 822019185 /nfs/dbraw/zinc/01/91/85/822019185.db2.gz ROPOBZLLIZGQAP-MSOLQXFVSA-N 1 0 383.511 4.296 20 0 GIADRO CC[C@H]([NH2+][C@H](C)c1cccc(N2CCCC2)c1)C(=O)Nc1ccc(OC)cc1 ZINC000181870037 822021792 /nfs/dbraw/zinc/02/17/92/822021792.db2.gz PFAHJZMNWZJHQJ-VGSWGCGISA-N 1 0 381.520 4.363 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(C(=O)N2CCCC2)cc1)c1cccc(N2CCCC2)c1 ZINC000181883731 822025670 /nfs/dbraw/zinc/02/56/70/822025670.db2.gz BHSRJWBAXVSPOB-LJQANCHMSA-N 1 0 377.532 4.374 20 0 GIADRO C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000181893571 822029064 /nfs/dbraw/zinc/02/90/64/822029064.db2.gz LMDFAKVOMMLDNH-HNNXBMFYSA-N 1 0 385.474 4.010 20 0 GIADRO CCC(CC)[C@@H]1C[C@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCO1 ZINC000181924657 822037863 /nfs/dbraw/zinc/03/78/63/822037863.db2.gz ZJZFRLNHXILFFP-YADHBBJMSA-N 1 0 387.568 4.065 20 0 GIADRO COc1ccc(C[C@H](C)C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)cc1OC ZINC000181933977 822039680 /nfs/dbraw/zinc/03/96/80/822039680.db2.gz KJNTVSPSEWSGKQ-ZWKOTPCHSA-N 1 0 398.547 4.128 20 0 GIADRO CC(C)c1ccc(C(=O)Nc2sccc2C(=O)N(C)CCC[NH+](C)C)cc1 ZINC000181941541 822040982 /nfs/dbraw/zinc/04/09/82/822040982.db2.gz VJDSWGUROFQLPK-UHFFFAOYSA-N 1 0 387.549 4.148 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1cc2c(ccc3ccccc23)o1 ZINC000181950828 822043818 /nfs/dbraw/zinc/04/38/18/822043818.db2.gz SLZNPOZZWPCWFZ-MLGOLLRUSA-N 1 0 376.378 4.400 20 0 GIADRO CC(=O)Nc1ccc([C@H](C)[NH2+]Cc2cccc(NC(=O)c3ccncc3)c2)cc1 ZINC000181976860 822050847 /nfs/dbraw/zinc/05/08/47/822050847.db2.gz QYKBAFJRLCCBGU-INIZCTEOSA-N 1 0 388.471 4.143 20 0 GIADRO O=C(Nc1ccc(COCc2ccccc2)cc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000181980322 822051840 /nfs/dbraw/zinc/05/18/40/822051840.db2.gz DHOULEMVIBDQCA-JOCHJYFZSA-N 1 0 393.531 4.353 20 0 GIADRO COc1ccc(C[C@@H](C)C(=O)NCc2cccc(C[N@H+](C)C(C)C)c2)cc1OC ZINC000181986058 822053768 /nfs/dbraw/zinc/05/37/68/822053768.db2.gz KKSDUFJQMJFRJU-GOSISDBHSA-N 1 0 398.547 4.039 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1cc2c(ccc3ccccc23)o1 ZINC000181995973 822057038 /nfs/dbraw/zinc/05/70/38/822057038.db2.gz PDCIAKMVLVMDAR-DNVCBOLYSA-N 1 0 388.471 4.166 20 0 GIADRO COC(=O)c1ccc(-c2nc(CN3CC=C(c4ccc(O)cc4)CC3)co2)cc1 ZINC000182019776 822064512 /nfs/dbraw/zinc/06/45/12/822064512.db2.gz HYWZSWCPSQMXNS-UHFFFAOYSA-N 1 0 390.439 4.123 20 0 GIADRO CCOc1cccc2cc([C@H](C)[NH2+]CCS(=O)(=O)c3ccc(F)cc3)oc21 ZINC000182025971 822066664 /nfs/dbraw/zinc/06/66/64/822066664.db2.gz RNDRZMGSKLAZSX-AWEZNQCLSA-N 1 0 391.464 4.095 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(C(=O)Nc2ccccc2)c1)c1ccc(-n2ccnn2)cc1 ZINC000182036928 822069595 /nfs/dbraw/zinc/06/95/95/822069595.db2.gz YPSJMZSZXGKWBB-GOSISDBHSA-N 1 0 397.482 4.370 20 0 GIADRO O=C(CSc1ccc(Cl)cc1)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC000182065187 822079170 /nfs/dbraw/zinc/07/91/70/822079170.db2.gz MLQFNISFZQHKPS-UHFFFAOYSA-N 1 0 390.936 4.028 20 0 GIADRO CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)c1cc2cccc(OC)c2o1 ZINC000182065708 822079708 /nfs/dbraw/zinc/07/97/08/822079708.db2.gz GYQDGEIBDUQREV-RDJZCZTQSA-N 1 0 387.501 4.345 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CCCCCn2cc(C)cn2)cc1Br ZINC000182073538 822082713 /nfs/dbraw/zinc/08/27/13/822082713.db2.gz PDWMAQKHONRPLR-HNNXBMFYSA-N 1 0 380.330 4.484 20 0 GIADRO O=C(NCCc1cccs1)C1CC[NH+](CCCc2ccccc2Cl)CC1 ZINC000182075670 822083014 /nfs/dbraw/zinc/08/30/14/822083014.db2.gz QTFLPBRFKPOGBT-UHFFFAOYSA-N 1 0 390.980 4.405 20 0 GIADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1occc1COc1ccccc1 ZINC000182097556 822092553 /nfs/dbraw/zinc/09/25/53/822092553.db2.gz QDOAUEUFIHKJFE-GOSISDBHSA-N 1 0 378.472 4.109 20 0 GIADRO CC(=O)Nc1ccc([C@H](C)[NH2+]C2CCN(c3ccc(N(C)C)cc3)CC2)cc1 ZINC000182100054 822093593 /nfs/dbraw/zinc/09/35/93/822093593.db2.gz YBDWKBDKRSDAGZ-KRWDZBQOSA-N 1 0 380.536 4.031 20 0 GIADRO CC(=O)Nc1ccc([C@H](C)[NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000182133523 822110434 /nfs/dbraw/zinc/11/04/34/822110434.db2.gz AJOPIHATNPUNJP-ZDUSSCGKSA-N 1 0 384.867 4.242 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1cnn(Cc2ccccc2)c1 ZINC000182154917 822121176 /nfs/dbraw/zinc/12/11/76/822121176.db2.gz FTUABTLNLAXWMD-ITEAAPOESA-N 1 0 383.442 4.390 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)cc(OC)c1OC ZINC000182155060 822121227 /nfs/dbraw/zinc/12/12/27/822121227.db2.gz NNGAFVSPHBERKG-GIJMVEMTSA-N 1 0 393.430 4.171 20 0 GIADRO O=C1Nc2ccccc2C12CCC([NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1)CC2 ZINC000182157017 822122619 /nfs/dbraw/zinc/12/26/19/822122619.db2.gz LFSRXUQGZZKQEI-LOAZRTHTSA-N 1 0 398.453 4.217 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)cc1NC(C)=O ZINC000182159360 822123979 /nfs/dbraw/zinc/12/39/79/822123979.db2.gz UITNFOGVUGBWBX-JPHFQCMKSA-N 1 0 390.430 4.113 20 0 GIADRO C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1cccc(N2CCOC2=O)c1 ZINC000182163420 822125413 /nfs/dbraw/zinc/12/54/13/822125413.db2.gz JCIIAGNUCPGFKD-QTJFZDIUSA-N 1 0 388.414 4.102 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCCOc2cc(Cl)ccc21)c1ccc(S(C)(=O)=O)cc1 ZINC000182169456 822129132 /nfs/dbraw/zinc/12/91/32/822129132.db2.gz ZTZFQYSOYUQBSB-SCLBCKFNSA-N 1 0 379.909 4.308 20 0 GIADRO COc1cc(C[NH2+]CCCc2c[nH]c3ccccc23)ccc1OC(=O)C1CC1 ZINC000182190664 822139632 /nfs/dbraw/zinc/13/96/32/822139632.db2.gz GPEUJCYTYSGGBA-UHFFFAOYSA-N 1 0 378.472 4.214 20 0 GIADRO C[C@H](CCNC(=O)c1ccccc1-c1nc(C(C)(C)C)no1)[NH+]1CCCCC1 ZINC000182233516 822159212 /nfs/dbraw/zinc/15/92/12/822159212.db2.gz HJNOKHXJMOCPAG-MRXNPFEDSA-N 1 0 384.524 4.028 20 0 GIADRO CCCCc1ccc([C@@H]([NH2+][C@@H]2CCCS(=O)(=O)C2)c2cccs2)cc1 ZINC000182239539 822161923 /nfs/dbraw/zinc/16/19/23/822161923.db2.gz KEDRDNRAGHCEGC-UYAOXDASSA-N 1 0 377.575 4.347 20 0 GIADRO CN(C)C(=O)N1CCC([NH2+][C@@H](c2cccs2)c2ccc3c(c2)CCCC3)CC1 ZINC000182248920 822167210 /nfs/dbraw/zinc/16/72/10/822167210.db2.gz ZSRCLNKREHMXRX-JOCHJYFZSA-N 1 0 397.588 4.452 20 0 GIADRO C[C@@H]([NH2+]CCCCC(=O)OCc1ccccc1)c1ncc(Br)s1 ZINC000182277902 822183891 /nfs/dbraw/zinc/18/38/91/822183891.db2.gz MCPPVFVHCBQBQJ-CYBMUJFWSA-N 1 0 397.338 4.470 20 0 GIADRO CC1CC[NH+](Cc2ccc(CNC(=O)N3CCCC[C@@H]3c3cn[nH]c3)cc2)CC1 ZINC000182302705 822194056 /nfs/dbraw/zinc/19/40/56/822194056.db2.gz TZJIVUKFUHHTDZ-JOCHJYFZSA-N 1 0 395.551 4.078 20 0 GIADRO COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[NH2+][C@@H](C)c2ccc(C)cc2)c1 ZINC000182311962 822198981 /nfs/dbraw/zinc/19/89/81/822198981.db2.gz UILGOQOANZVJAB-UWJYYQICSA-N 1 0 382.504 4.027 20 0 GIADRO Cc1ccccc1-n1nccc1NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000182327265 822203715 /nfs/dbraw/zinc/20/37/15/822203715.db2.gz RKXZSDRVMDPJOJ-VQTJNVASSA-N 1 0 395.551 4.299 20 0 GIADRO Cc1ccccc1-n1nccc1NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000182331299 822204642 /nfs/dbraw/zinc/20/46/42/822204642.db2.gz ZDQLPFLPTSQDMJ-UHFFFAOYSA-N 1 0 381.524 4.099 20 0 GIADRO COc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@H](C)c2ccc(C)cc2)cc1OC ZINC000182351149 822211227 /nfs/dbraw/zinc/21/12/27/822211227.db2.gz BGVYAOKOSFMJTB-YLJYHZDGSA-N 1 0 382.504 4.027 20 0 GIADRO CC(C)c1ccc(OCC(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)cc1 ZINC000182354443 822212034 /nfs/dbraw/zinc/21/20/34/822212034.db2.gz QAEXBXHMKXITPO-UHFFFAOYSA-N 1 0 395.547 4.358 20 0 GIADRO CC(C)[C@H](NC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1nc2ccccc2[nH]1 ZINC000182354758 822212825 /nfs/dbraw/zinc/21/28/25/822212825.db2.gz IRVDVMOFFFEDFR-LZJOCLMNSA-N 1 0 397.567 4.212 20 0 GIADRO C[C@@H](OC1CCCCCC1)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000182355213 822213229 /nfs/dbraw/zinc/21/32/29/822213229.db2.gz ASEKNXAAHQMDAF-GOSISDBHSA-N 1 0 387.568 4.283 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)CCCSC(C)(C)C)cc2)CC1 ZINC000182361810 822215455 /nfs/dbraw/zinc/21/54/55/822215455.db2.gz ZITPHDLTJNTZOJ-UHFFFAOYSA-N 1 0 377.598 4.467 20 0 GIADRO CSc1ccc(C)c(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)c1 ZINC000182363913 822216243 /nfs/dbraw/zinc/21/62/43/822216243.db2.gz PKQPTIHDAFSRDW-UHFFFAOYSA-N 1 0 383.561 4.500 20 0 GIADRO CSc1cc(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)ccc1F ZINC000182365133 822216801 /nfs/dbraw/zinc/21/68/01/822216801.db2.gz BAWQPPXKIYEOLF-UHFFFAOYSA-N 1 0 387.524 4.330 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H]3CSc4ccccc43)cc2)CC1 ZINC000182367865 822217757 /nfs/dbraw/zinc/21/77/57/822217757.db2.gz LNQTXGWFYWQZLS-FQEVSTJZSA-N 1 0 381.545 4.045 20 0 GIADRO COc1c(C)cc(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)cc1C ZINC000182370523 822218458 /nfs/dbraw/zinc/21/84/58/822218458.db2.gz VCTGWAZVUIVQPE-UHFFFAOYSA-N 1 0 381.520 4.095 20 0 GIADRO CSc1ccsc1C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000182371771 822219033 /nfs/dbraw/zinc/21/90/33/822219033.db2.gz QHCWDRVRKMDWKV-UHFFFAOYSA-N 1 0 375.563 4.253 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H]3C[C@@H]3c3cccc(F)c3F)cc2)CC1 ZINC000182371348 822219111 /nfs/dbraw/zinc/21/91/11/822219111.db2.gz PDXGNXPNIJHURU-WOJBJXKFSA-N 1 0 399.485 4.237 20 0 GIADRO Cc1cccc(CSCC(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)c1 ZINC000182376094 822220760 /nfs/dbraw/zinc/22/07/60/822220760.db2.gz YZPWIMFNEGVLQD-UHFFFAOYSA-N 1 0 397.588 4.397 20 0 GIADRO Cc1ccc(NC(=O)N(C)Cc2cc(F)c(F)c(F)c2)c(OCC[NH+](C)C)c1 ZINC000182380651 822222186 /nfs/dbraw/zinc/22/21/86/822222186.db2.gz QIRRXPCALQGQST-UHFFFAOYSA-N 1 0 395.425 4.017 20 0 GIADRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)c1 ZINC000182411479 822233471 /nfs/dbraw/zinc/23/34/71/822233471.db2.gz UHRWOAFPRHRYRN-UONOGXRCSA-N 1 0 376.884 4.349 20 0 GIADRO COc1cc(C[NH2+]CCc2c[nH]c3c2cccc3C)ccc1OC(=O)C1CC1 ZINC000182420702 822236826 /nfs/dbraw/zinc/23/68/26/822236826.db2.gz MXUMIGFSWWWHAR-UHFFFAOYSA-N 1 0 378.472 4.133 20 0 GIADRO COc1cc(N[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)ccc1Br ZINC000182421376 822236869 /nfs/dbraw/zinc/23/68/69/822236869.db2.gz KSXINOQPSRYBTF-KSSFIOAISA-N 1 0 390.325 4.175 20 0 GIADRO Cc1cc(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)c(C)n1C(C)C ZINC000182433635 822241106 /nfs/dbraw/zinc/24/11/06/822241106.db2.gz OKQCTEGODBFQMR-UHFFFAOYSA-N 1 0 382.552 4.469 20 0 GIADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000182457989 822250110 /nfs/dbraw/zinc/25/01/10/822250110.db2.gz QGLKQCQGBTZZGI-WIYYLYMNSA-N 1 0 399.485 4.180 20 0 GIADRO C[C@@H]([NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccc(N2CCCC2=O)cc1 ZINC000177940224 822250281 /nfs/dbraw/zinc/25/02/81/822250281.db2.gz DWGQQYJMEPBBSW-GYCJOSAFSA-N 1 0 392.499 4.387 20 0 GIADRO C[C@@H](C[NH2+]C1CCC2(CC1)c1ccccc1NC2=O)COCc1ccccc1 ZINC000177952608 822255360 /nfs/dbraw/zinc/25/53/60/822255360.db2.gz IYXRILBIJLQWQV-ZGIGLSJSSA-N 1 0 378.516 4.262 20 0 GIADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)N[C@@H](c3ccccc3)c3ccc(F)cc3)CC[C@@H]21 ZINC000177961563 822258506 /nfs/dbraw/zinc/25/85/06/822258506.db2.gz XCNQCCVWPSYHBM-HJNYFJLDSA-N 1 0 381.495 4.041 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@@H](C)c2ccc(OC(F)F)cc2OC(F)F)cnn1C ZINC000177962895 822259719 /nfs/dbraw/zinc/25/97/19/822259719.db2.gz YROUOHHZSBHUHI-UWVGGRQHSA-N 1 0 375.366 4.343 20 0 GIADRO Cc1ccc(NC(=O)c2nnc(C[N@@H+]3CCC[C@@]4(CC=CCC4)C3)s2)cc1 ZINC000182485170 822261392 /nfs/dbraw/zinc/26/13/92/822261392.db2.gz NLWGGYXMQIWJOD-NRFANRHFSA-N 1 0 382.533 4.421 20 0 GIADRO CCOc1ccc2c(c1)[C@H](NC1CC[NH+](CCc3ccccc3)CC1)CCO2 ZINC000177968994 822261847 /nfs/dbraw/zinc/26/18/47/822261847.db2.gz GKZXVHMWULZUQS-HSZRJFAPSA-N 1 0 380.532 4.206 20 0 GIADRO COCc1cc([C@@H](C)[NH2+]C2CCN(CCc3ccccc3)CC2)ccc1OC ZINC000177969502 822261997 /nfs/dbraw/zinc/26/19/97/822261997.db2.gz YACOTSNMQMXGNK-LJQANCHMSA-N 1 0 382.548 4.199 20 0 GIADRO C[C@H]1C[C@H]([NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)c2ccsc2S1 ZINC000177968953 822262264 /nfs/dbraw/zinc/26/22/64/822262264.db2.gz PTAPBCFWEGSSSH-NHYWBVRUSA-N 1 0 387.979 4.390 20 0 GIADRO CC[C@H]([NH2+]C[C@@H](O)COC(c1ccccc1)c1ccccc1)c1c(C)noc1C ZINC000182491692 822264909 /nfs/dbraw/zinc/26/49/09/822264909.db2.gz OFCGNIUZULKPQZ-YADHBBJMSA-N 1 0 394.515 4.499 20 0 GIADRO C[C@H]([NH2+][C@@H]1CC2(CCC2)Oc2ccccc21)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000177975016 822265247 /nfs/dbraw/zinc/26/52/47/822265247.db2.gz GHBVDOXAVYKMDY-KBXCAEBGSA-N 1 0 389.492 4.326 20 0 GIADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Nc1cc(Br)c(F)cc1Cl ZINC000177985967 822269637 /nfs/dbraw/zinc/26/96/37/822269637.db2.gz LRYKGJCBEQXJQK-SNVBAGLBSA-N 1 0 392.700 4.047 20 0 GIADRO COC[C@H]([NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1)c1ccc(F)c(F)c1 ZINC000182511407 822275900 /nfs/dbraw/zinc/27/59/00/822275900.db2.gz UUGGQWMERLKKIG-NRFANRHFSA-N 1 0 396.428 4.185 20 0 GIADRO Cc1nc(C[N@@H+]2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)sc1C ZINC000178000975 822277261 /nfs/dbraw/zinc/27/72/61/822277261.db2.gz JWTXSCNPGMSVHE-CYBMUJFWSA-N 1 0 395.454 4.201 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCCO2)c1cccc(N2CCCC2=O)c1 ZINC000178020960 822285684 /nfs/dbraw/zinc/28/56/84/822285684.db2.gz SFUJWJCSICSAMF-IRXDYDNUSA-N 1 0 380.488 4.387 20 0 GIADRO COc1ccc(NC(=O)C[C@@H](C)[NH2+]CCc2ccc3ccccc3c2)c(OC)c1 ZINC000178025362 822288177 /nfs/dbraw/zinc/28/81/77/822288177.db2.gz VGIWEMFQFJZVAX-QGZVFWFLSA-N 1 0 392.499 4.406 20 0 GIADRO COc1cc(C)c([C@H](C)[NH2+][C@H](C)CC(=O)Nc2cccnc2Cl)cc1OC ZINC000178036149 822292875 /nfs/dbraw/zinc/29/28/75/822292875.db2.gz HAGIPGVTJIJQFG-KGLIPLIRSA-N 1 0 391.899 4.129 20 0 GIADRO CC1CC[NH+](C[C@H]2CCCN(C(=O)Nc3ccc(-c4ncco4)cc3)C2)CC1 ZINC000182547362 822295616 /nfs/dbraw/zinc/29/56/16/822295616.db2.gz GNZXVXSHFGNRKC-GOSISDBHSA-N 1 0 382.508 4.317 20 0 GIADRO CCN(C(=O)C[NH2+][C@H](C)c1cccc(NC(C)=O)c1)[C@@H](C)c1ccc(F)cc1 ZINC000182550958 822297548 /nfs/dbraw/zinc/29/75/48/822297548.db2.gz LTHYCPUEVGRZDC-CVEARBPZSA-N 1 0 385.483 4.044 20 0 GIADRO CCN(CC)C(=O)CCC1CC[NH+](Cc2coc(-c3ccc(OC)cc3)n2)CC1 ZINC000182555570 822299804 /nfs/dbraw/zinc/29/98/04/822299804.db2.gz ALXGFXAXYYHLKA-UHFFFAOYSA-N 1 0 399.535 4.211 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+]CC(=O)Nc2ccc(SC(F)F)cc2)c1 ZINC000182555410 822299899 /nfs/dbraw/zinc/29/98/99/822299899.db2.gz DUFKLSYLHPWWCP-LBPRGKRZSA-N 1 0 393.459 4.249 20 0 GIADRO Cc1ccccc1COc1ccc([C@H](C)[NH2+]Cc2cccnc2-n2cncn2)cc1 ZINC000178051188 822301373 /nfs/dbraw/zinc/30/13/73/822301373.db2.gz JIOXVBKOFNTSIR-IBGZPJMESA-N 1 0 399.498 4.401 20 0 GIADRO Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]Cc1cccnc1-n1cncn1 ZINC000178054261 822302374 /nfs/dbraw/zinc/30/23/74/822302374.db2.gz VFMFBVLUUSFJRR-LJQANCHMSA-N 1 0 375.501 4.106 20 0 GIADRO CC[NH+]1CCN(c2ccc(N[C@@H](C)c3nc4ccccc4n3C)c(C)c2)CC1 ZINC000182565639 822305207 /nfs/dbraw/zinc/30/52/07/822305207.db2.gz MMPSIQJHFSFGRK-SFHVURJKSA-N 1 0 377.536 4.197 20 0 GIADRO CN(C)C(=O)c1ccc(NC(=O)C[NH2+][C@H](c2ccc(Cl)cc2)C2CCC2)cc1 ZINC000182567242 822306309 /nfs/dbraw/zinc/30/63/09/822306309.db2.gz RYEBJMPFXZUALZ-NRFANRHFSA-N 1 0 399.922 4.111 20 0 GIADRO C[C@H](c1cccc(F)c1)[NH+]1CCC(OCCCNC(=O)OC(C)(C)C)CC1 ZINC000178065569 822306708 /nfs/dbraw/zinc/30/67/08/822306708.db2.gz RQEKGBSWBPKBHY-MRXNPFEDSA-N 1 0 380.504 4.283 20 0 GIADRO Cc1cccc([C@@H](O)CNC(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)c1 ZINC000178066654 822307037 /nfs/dbraw/zinc/30/70/37/822307037.db2.gz SUBPXMGRIDXOGM-DEOSSOPVSA-N 1 0 388.511 4.090 20 0 GIADRO CCN(CC)C(=O)CCC1CC[NH+](Cc2nc3cc(Cl)ccc3n2C)CC1 ZINC000182571099 822307571 /nfs/dbraw/zinc/30/75/71/822307571.db2.gz TZZVTYRSBMTLGF-UHFFFAOYSA-N 1 0 390.959 4.087 20 0 GIADRO CCN(CC)C(=O)CCC1CC[NH+](CC(=O)Nc2ccc(C(C)C)cc2)CC1 ZINC000182572108 822307889 /nfs/dbraw/zinc/30/78/89/822307889.db2.gz NRGADTNERJFDAZ-UHFFFAOYSA-N 1 0 387.568 4.109 20 0 GIADRO CCCOc1ccc([C@@H](C)[NH2+]Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)cc1 ZINC000178086058 822313626 /nfs/dbraw/zinc/31/36/26/822313626.db2.gz UUKFEEHASSVHBJ-CEXWTWQISA-N 1 0 383.536 4.335 20 0 GIADRO C[NH+](C)CCCN(C(=O)c1ccc(F)cn1)C(c1ccccc1)c1ccccc1 ZINC000182588153 822313742 /nfs/dbraw/zinc/31/37/42/822313742.db2.gz QXUVSQIWFGELCD-UHFFFAOYSA-N 1 0 391.490 4.404 20 0 GIADRO Cc1ccc(NC(=O)C2CC2)cc1N[C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000182589597 822314093 /nfs/dbraw/zinc/31/40/93/822314093.db2.gz QMTGEEYSTVXDIO-QGZVFWFLSA-N 1 0 381.520 4.457 20 0 GIADRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(OC)cc1OC)c1cccc(Cl)c1 ZINC000182592288 822315117 /nfs/dbraw/zinc/31/51/17/822315117.db2.gz NQZXHLCCNKFHOA-SUMWQHHRSA-N 1 0 376.884 4.425 20 0 GIADRO C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000178103184 822320406 /nfs/dbraw/zinc/32/04/06/822320406.db2.gz QDTONYTZRMFVCC-AVRDEDQJSA-N 1 0 395.547 4.037 20 0 GIADRO COc1ccc(C[NH2+][C@H]2CCCOc3ccc(Br)cc32)cc1OC ZINC000178106011 822321868 /nfs/dbraw/zinc/32/18/68/822321868.db2.gz YMYVIWVGMBLDCM-INIZCTEOSA-N 1 0 392.293 4.470 20 0 GIADRO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H]1COc2ccccc2C1 ZINC000178109598 822322732 /nfs/dbraw/zinc/32/27/32/822322732.db2.gz RDYXONBWPWUHFR-ZFWWWQNUSA-N 1 0 378.394 4.016 20 0 GIADRO CC[C@H](C)[N@H+](CCCc1ccccc1OC)Cc1nc2ccccc2c(=O)[nH]1 ZINC000182615317 822323934 /nfs/dbraw/zinc/32/39/34/822323934.db2.gz ZDUGJZQQTCVGHL-KRWDZBQOSA-N 1 0 379.504 4.165 20 0 GIADRO CC(C)(C)NS(=O)(=O)c1ccccc1C[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000182616007 822324107 /nfs/dbraw/zinc/32/41/07/822324107.db2.gz HVVNFTLOHKXSJJ-IBGZPJMESA-N 1 0 390.524 4.070 20 0 GIADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](c2ccc(F)cc2)C2CCCC2)cc1 ZINC000178114628 822324312 /nfs/dbraw/zinc/32/43/12/822324312.db2.gz KQLFJHFZWRMCNM-BTYIYWSLSA-N 1 0 390.524 4.316 20 0 GIADRO O=C(Nc1cccc(OCc2ccccn2)c1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178120041 822325574 /nfs/dbraw/zinc/32/55/74/822325574.db2.gz DKNRNKTXUGGMBH-SFHVURJKSA-N 1 0 379.504 4.254 20 0 GIADRO COCC[NH+]1CCC(N[C@H](c2ccc(F)cc2)c2ccccc2Cl)CC1 ZINC000178125902 822327131 /nfs/dbraw/zinc/32/71/31/822327131.db2.gz KNVRCEZPQIVRNA-OAQYLSRUSA-N 1 0 376.903 4.269 20 0 GIADRO C[C@H]([NH2+]CCS(C)(=O)=O)c1ccc(-c2ccc(C(F)(F)F)cc2)s1 ZINC000178135273 822328998 /nfs/dbraw/zinc/32/89/98/822328998.db2.gz VEVIFSFHJOMZDP-NSHDSACASA-N 1 0 377.453 4.129 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1ccnn1Cc1cccs1)c1cc2ccccc2o1 ZINC000182628224 822329215 /nfs/dbraw/zinc/32/92/15/822329215.db2.gz AVANXYMZKPSMFD-CQSZACIVSA-N 1 0 380.473 4.028 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)Nc1ccc(-c2ncco2)cc1 ZINC000182628334 822329387 /nfs/dbraw/zinc/32/93/87/822329387.db2.gz XCXFRWFUWYWFNU-UHFFFAOYSA-N 1 0 382.439 4.076 20 0 GIADRO CC(C)Oc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)cc1 ZINC000178142846 822331283 /nfs/dbraw/zinc/33/12/83/822331283.db2.gz HKGIFJALBXRNEO-CABCVRRESA-N 1 0 379.497 4.428 20 0 GIADRO C[C@@H]([NH2+]CCC(=O)Nc1ccc(N2CCCC2=O)cc1)c1cc2ccccc2o1 ZINC000182631666 822331380 /nfs/dbraw/zinc/33/13/80/822331380.db2.gz XCSIOBIDWMVDPA-MRXNPFEDSA-N 1 0 391.471 4.239 20 0 GIADRO O=C(Nc1cccc(-c2cccs2)c1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000178145644 822332490 /nfs/dbraw/zinc/33/24/90/822332490.db2.gz XWAQHFGRBNODFX-VQTJNVASSA-N 1 0 399.560 4.305 20 0 GIADRO COCCOc1ccc([C@@H](C)[NH2+][C@H]2CCOc3ccc(F)cc32)cc1OC ZINC000178151242 822334746 /nfs/dbraw/zinc/33/47/46/822334746.db2.gz XVERCXWAOIRKEG-KDOFPFPSSA-N 1 0 375.440 4.034 20 0 GIADRO CCOc1cccc2cc([C@@H](C)[NH2+]C[C@@H](O)COc3cccc(C(C)=O)c3)oc21 ZINC000182648668 822337989 /nfs/dbraw/zinc/33/79/89/822337989.db2.gz YXLMCZLJEBICCC-DNVCBOLYSA-N 1 0 397.471 4.125 20 0 GIADRO CC[C@H](NC(=O)N1CCC(CCC[NH+](CC)CC)CC1)c1c(C)noc1C ZINC000182650179 822338642 /nfs/dbraw/zinc/33/86/42/822338642.db2.gz NNEFLAVYQCGPCH-IBGZPJMESA-N 1 0 378.561 4.286 20 0 GIADRO CC[C@H]([NH2+]CCNC(=O)c1ccccc1Cl)c1ccccc1OC(F)F ZINC000178171636 822340887 /nfs/dbraw/zinc/34/08/87/822340887.db2.gz SSMYJAPSIZHBSM-INIZCTEOSA-N 1 0 382.838 4.412 20 0 GIADRO C[C@H]([NH2+][C@@H]1CC(C)(C)c2ccccc21)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000178180172 822344469 /nfs/dbraw/zinc/34/44/69/822344469.db2.gz HYWODXVRUSOLIS-KSFYIVLOSA-N 1 0 378.516 4.417 20 0 GIADRO CCOc1c(Br)cc(C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)cc1OC ZINC000178183589 822345421 /nfs/dbraw/zinc/34/54/21/822345421.db2.gz ABBWYPRVHQTPNF-LLVKDONJSA-N 1 0 393.281 4.128 20 0 GIADRO C[N@H+](CCCn1ccnc1)Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000182671297 822346032 /nfs/dbraw/zinc/34/60/32/822346032.db2.gz GKKYNSMLDLMTTJ-UHFFFAOYSA-N 1 0 377.517 4.319 20 0 GIADRO C[C@H]([NH2+]C[C@@H](c1ccccc1Cl)N(C)C)c1cccc(N2CCOC2=O)c1 ZINC000178187630 822346602 /nfs/dbraw/zinc/34/66/02/822346602.db2.gz USRDETQFFCCJPT-YWZLYKJASA-N 1 0 387.911 4.250 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000178194699 822348954 /nfs/dbraw/zinc/34/89/54/822348954.db2.gz NHMGULZGDIQXLL-MAUKXSAKSA-N 1 0 379.533 4.228 20 0 GIADRO Cc1ccc(O[C@H](C)C(=O)Nc2ccc([C@H](C)[NH3+])cc2)c(Br)c1 ZINC000178197203 822349450 /nfs/dbraw/zinc/34/94/50/822349450.db2.gz RNIXEYYXNHACNI-QWHCGFSZSA-N 1 0 377.282 4.183 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1)c1ccc(-n2ccnc2)cc1 ZINC000178198862 822349942 /nfs/dbraw/zinc/34/99/42/822349942.db2.gz FDLQGOLFKMWHAY-IAGOWNOFSA-N 1 0 376.460 4.241 20 0 GIADRO CCc1c(C)[nH+]c2ccccc2c1N1CCC(C(=O)NCCCOC(C)C)CC1 ZINC000182683366 822350652 /nfs/dbraw/zinc/35/06/52/822350652.db2.gz BTGJKFVWTREAHC-UHFFFAOYSA-N 1 0 397.563 4.253 20 0 GIADRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CCC(=O)N3CCCCC3)s2)cc1 ZINC000178201346 822350961 /nfs/dbraw/zinc/35/09/61/822350961.db2.gz FHENWZVOIMMOBT-OAHLLOKOSA-N 1 0 387.549 4.180 20 0 GIADRO O=C(C[NH2+][C@H]1CC2(CCC2)Oc2ccccc21)Nc1ccc(F)c(F)c1F ZINC000178202704 822351388 /nfs/dbraw/zinc/35/13/88/822351388.db2.gz YPWHTNWQQFNOFD-HNNXBMFYSA-N 1 0 376.378 4.079 20 0 GIADRO C[C@@H](CCNC(=O)N1CCC[C@@H]1c1nc2ccccc2s1)[NH+]1CCCCC1 ZINC000182688579 822351973 /nfs/dbraw/zinc/35/19/73/822351973.db2.gz CVXAHABKDSYEMR-FUHWJXTLSA-N 1 0 386.565 4.407 20 0 GIADRO Cn1ccnc1[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccc(F)cc2)c2ccccc2)CCO1 ZINC000453404347 822358438 /nfs/dbraw/zinc/35/84/38/822358438.db2.gz RLPIEIZBCURJCB-FSSWDIPSSA-N 1 0 379.479 4.353 20 0 GIADRO CCO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000453408647 822358865 /nfs/dbraw/zinc/35/88/65/822358865.db2.gz QOXYWFUAXNNREQ-MAODMQOUSA-N 1 0 379.566 4.401 20 0 GIADRO Brc1ccc2c(c1)[C@H](NC1CC[NH+](CC3CC3)CC1)CCCO2 ZINC000178253814 822359105 /nfs/dbraw/zinc/35/91/05/822359105.db2.gz ADAVJAVFWXIOTE-GOSISDBHSA-N 1 0 379.342 4.127 20 0 GIADRO C[C@@H](NC(=O)NC[C@H](c1cccs1)[NH+](C)C)c1ccc(OC(F)F)cc1 ZINC000045039661 822359167 /nfs/dbraw/zinc/35/91/67/822359167.db2.gz VGHQLHCFAVJAPM-IUODEOHRSA-N 1 0 383.464 4.013 20 0 GIADRO Cn1ccnc1[C@@H]1C[C@@H]([NH2+][C@H](Cc2cccc(F)c2)c2cccc(F)c2)CCO1 ZINC000453414410 822359568 /nfs/dbraw/zinc/35/95/68/822359568.db2.gz YVAIVFQZOQIGOJ-BDTNDASRSA-N 1 0 397.469 4.492 20 0 GIADRO CC[C@@H]([NH2+][C@@H](C)c1sc(C)nc1C)c1ccccc1OCC(=O)N(C)C ZINC000178259319 822360037 /nfs/dbraw/zinc/36/00/37/822360037.db2.gz BUPRLJRQSXQWOX-WMLDXEAASA-N 1 0 375.538 4.029 20 0 GIADRO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)c3ccc(-c4ccccc4)[nH]3)CC2)C[C@H](C)O1 ZINC000178263116 822360517 /nfs/dbraw/zinc/36/05/17/822360517.db2.gz PTLHIVQPCGNXFP-KDURUIRLSA-N 1 0 395.547 4.033 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@H](C)c2ccc3c(c2)OCCO3)ccc1OC(F)F ZINC000178266542 822360819 /nfs/dbraw/zinc/36/08/19/822360819.db2.gz PQUHLFBBWFWYCR-QWHCGFSZSA-N 1 0 379.403 4.480 20 0 GIADRO Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]CCCc1nnc3n1CCCCC3)CCCO2 ZINC000178275792 822362126 /nfs/dbraw/zinc/36/21/26/822362126.db2.gz BECIJDPFAUWIHH-SFHVURJKSA-N 1 0 388.943 4.402 20 0 GIADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCC1CC(F)(F)C1 ZINC000453436837 822362715 /nfs/dbraw/zinc/36/27/15/822362715.db2.gz VBEXSJLZNFTQEA-LLVKDONJSA-N 1 0 375.257 4.191 20 0 GIADRO CCOc1ccccc1NC(=O)[C@@H]([NH2+]CC[C@H]1CCCCO1)c1ccccc1 ZINC000182759411 822363500 /nfs/dbraw/zinc/36/35/00/822363500.db2.gz HSIMXJDINYAQPU-KNQAVFIVSA-N 1 0 382.504 4.314 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)[C@H](C)c1nc2ccccc2s1 ZINC000178287098 822363662 /nfs/dbraw/zinc/36/36/62/822363662.db2.gz BRCYBRNTAYBJJF-GJZGRUSLSA-N 1 0 388.558 4.123 20 0 GIADRO CC[C@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1cccc(Br)c1 ZINC000178288329 822363684 /nfs/dbraw/zinc/36/36/84/822363684.db2.gz GVACZGYLTIUMSU-SFHVURJKSA-N 1 0 396.350 4.235 20 0 GIADRO Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@H]1CCCc2c(Br)cccc21 ZINC000453443082 822363745 /nfs/dbraw/zinc/36/37/45/822363745.db2.gz NOALYMMCJYHFNP-UGSOOPFHSA-N 1 0 388.309 4.147 20 0 GIADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H](Cc2ccccc2)c2ccccc2)c1 ZINC000178297243 822364562 /nfs/dbraw/zinc/36/45/62/822364562.db2.gz ORVXURQKGJFTSE-MBSDFSHPSA-N 1 0 394.540 4.229 20 0 GIADRO C[C@@H](NC(=O)N[C@@H](C[C@@H]1CCOC1)c1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182768624 822364747 /nfs/dbraw/zinc/36/47/47/822364747.db2.gz RZHUIYHMUHOWSL-XZYOPWHXSA-N 1 0 399.579 4.107 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H](C)c1ccc(OC)c(F)c1 ZINC000045132584 822364876 /nfs/dbraw/zinc/36/48/76/822364876.db2.gz YKPSYKYFNFPGIJ-MRXNPFEDSA-N 1 0 387.499 4.237 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H](C)c1cccc(NC(C)=O)c1 ZINC000045132655 822365007 /nfs/dbraw/zinc/36/50/07/822365007.db2.gz HQLZTMQSUMUPLZ-KRWDZBQOSA-N 1 0 396.535 4.047 20 0 GIADRO CC[N@@H+](c1ccc(N[C@@H](C)c2ccc(S(=O)(=O)NC)cc2)cc1)C(C)C ZINC000182773306 822365349 /nfs/dbraw/zinc/36/53/49/822365349.db2.gz HDFWTCAXAQWJTC-INIZCTEOSA-N 1 0 375.538 4.003 20 0 GIADRO CC[C@H](NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)c1nc(C(F)(F)F)cs1 ZINC000178309627 822366016 /nfs/dbraw/zinc/36/60/16/822366016.db2.gz YKKIZVUGZHXEEX-JSGCOSHPSA-N 1 0 389.487 4.384 20 0 GIADRO COc1ccc(Cc2nc(C)c([C@@H](C)[NH2+][C@@H]3C[C@H]4CC[C@@H]3O4)s2)cc1OC ZINC000178318190 822366909 /nfs/dbraw/zinc/36/69/09/822366909.db2.gz YPXBRPGQMVXDAQ-YYQUZTFQSA-N 1 0 388.533 4.030 20 0 GIADRO C[NH+](C)CCN(Cc1ccccc1)C(=O)N[C@H](c1ccco1)c1ccccc1 ZINC000045156472 822367209 /nfs/dbraw/zinc/36/72/09/822367209.db2.gz DAJDYBDEWOVGDD-QFIPXVFZSA-N 1 0 377.488 4.142 20 0 GIADRO CSC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccnc1C)c1ccc(C(F)(F)F)cc1 ZINC000453455944 822367204 /nfs/dbraw/zinc/36/72/04/822367204.db2.gz UTMPMMWBDLRYHF-SUMWQHHRSA-N 1 0 397.466 4.430 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1OC(F)F)c1ccc(-n2cncn2)cc1 ZINC000178326398 822367418 /nfs/dbraw/zinc/36/74/18/822367418.db2.gz UEWAQVLHHZINAJ-CHWSQXEVSA-N 1 0 376.382 4.420 20 0 GIADRO O=C1[C@H]([NH2+][C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)C[C@H]2CCCCN12 ZINC000453459403 822368194 /nfs/dbraw/zinc/36/81/94/822368194.db2.gz WJXOZLWYTXLCPU-SOLBZPMBSA-N 1 0 385.508 4.070 20 0 GIADRO Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@@H]1CCCc2ccc(Br)cc21 ZINC000453459329 822368295 /nfs/dbraw/zinc/36/82/95/822368295.db2.gz WFQJYDLSNYIZNA-SCLBCKFNSA-N 1 0 388.309 4.147 20 0 GIADRO COc1ccc(OC(F)F)c(N[C@@H](C)c2cccc(OCC[NH+](C)C)c2)c1 ZINC000182797502 822369022 /nfs/dbraw/zinc/36/90/22/822369022.db2.gz RGUNAIPTJFWFKQ-AWEZNQCLSA-N 1 0 380.435 4.410 20 0 GIADRO COc1ccc(OC(F)F)c(N[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000182798134 822369207 /nfs/dbraw/zinc/36/92/07/822369207.db2.gz FIWNPKFBYMUQDB-AWEZNQCLSA-N 1 0 380.435 4.410 20 0 GIADRO CC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccs1 ZINC000178349792 822370032 /nfs/dbraw/zinc/37/00/32/822370032.db2.gz KVXAOBFHBSUJGX-GOSISDBHSA-N 1 0 378.563 4.164 20 0 GIADRO CCN(C(=O)Cc1ccc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1)c1ccccc1 ZINC000182806187 822370801 /nfs/dbraw/zinc/37/08/01/822370801.db2.gz DFCALTWUYILRIV-FYYLOGMGSA-N 1 0 377.532 4.321 20 0 GIADRO CCCC[C@@H]([NH2+][C@H](C)c1cn(C)nc1C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000178362212 822371329 /nfs/dbraw/zinc/37/13/29/822371329.db2.gz BCEZSTOZEZXCOC-VGOFRKELSA-N 1 0 397.567 4.177 20 0 GIADRO C[C@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1cc(Br)ccc1F ZINC000178367627 822371928 /nfs/dbraw/zinc/37/19/28/822371928.db2.gz XPGDMUXEAFYBCQ-JTQLQIEISA-N 1 0 383.227 4.266 20 0 GIADRO COCC[C@](C)(O)C[NH2+][C@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21 ZINC000178380959 822373449 /nfs/dbraw/zinc/37/34/49/822373449.db2.gz PTMCJQFTBQFNGQ-KXBFYZLASA-N 1 0 380.941 4.218 20 0 GIADRO C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)[C@H](C[NH3+])c2ccccc2)cc1Cl ZINC000178391449 822374626 /nfs/dbraw/zinc/37/46/26/822374626.db2.gz WNSZWCUXSZBEOU-DNVCBOLYSA-N 1 0 399.922 4.036 20 0 GIADRO C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)[C@@H](C[NH3+])c2ccccc2)cc1Cl ZINC000178391423 822374652 /nfs/dbraw/zinc/37/46/52/822374652.db2.gz WNSZWCUXSZBEOU-BEFAXECRSA-N 1 0 399.922 4.036 20 0 GIADRO CCOc1cc2c(cc1C[NH2+][C@H](C)c1ccc3c(c1)CCC(=O)N3)O[C@@H](C)C2 ZINC000178394457 822374951 /nfs/dbraw/zinc/37/49/51/822374951.db2.gz SWEKBEVCEAHHGD-LSDHHAIUSA-N 1 0 380.488 4.144 20 0 GIADRO CCCC[N@H+](C)CC1CCN(c2nnc([C@@H]3CCCCO3)n2CC(C)C)CC1 ZINC000453482888 822376284 /nfs/dbraw/zinc/37/62/84/822376284.db2.gz SBDUYZUULKNWDD-FQEVSTJZSA-N 1 0 391.604 4.124 20 0 GIADRO C[N@H+](CCCOc1cccc(C(F)(F)F)c1)Cc1ccc([S@](C)=O)cc1 ZINC000178409837 822376775 /nfs/dbraw/zinc/37/67/75/822376775.db2.gz NNHYOZZQZBNPDI-SANMLTNESA-N 1 0 385.451 4.344 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)N2N=C(c3cccs3)C[C@H]2c2cccs2)C1 ZINC000045299742 822377587 /nfs/dbraw/zinc/37/75/87/822377587.db2.gz ZIMRKIIDDDFLRR-UXLLHSPISA-N 1 0 387.574 4.465 20 0 GIADRO O=C(Nc1ccc(SC(F)F)cc1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000178426386 822377959 /nfs/dbraw/zinc/37/79/59/822377959.db2.gz PURKQXGAAKARTI-CXAGYDPISA-N 1 0 381.492 4.482 20 0 GIADRO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@H]1CCCOC1 ZINC000178428923 822378141 /nfs/dbraw/zinc/37/81/41/822378141.db2.gz PJIRWOVEYXTOSS-VXGBXAGGSA-N 1 0 378.822 4.092 20 0 GIADRO O=C(Nc1ccccc1OC1CCCC1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000178442739 822379280 /nfs/dbraw/zinc/37/92/80/822379280.db2.gz IJLFNUVHSHNVGC-UTKZUKDTSA-N 1 0 383.536 4.489 20 0 GIADRO C[C@@H](NC(=O)Nc1nnc(-c2ccsc2)s1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182860694 822381036 /nfs/dbraw/zinc/38/10/36/822381036.db2.gz FZYAOUMJTDKLEO-OLZOCXBDSA-N 1 0 391.566 4.041 20 0 GIADRO C[C@@H](NC(=O)N(C)CCc1ccc(Cl)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182867891 822382443 /nfs/dbraw/zinc/38/24/43/822382443.db2.gz YOYHYXOZCARNJN-AEFFLSMTSA-N 1 0 377.960 4.177 20 0 GIADRO Cc1c([C@H](C)NCc2nnc(-c3ccccc3)o2)cnn1-c1ccc(F)cc1 ZINC000182873185 822383530 /nfs/dbraw/zinc/38/35/30/822383530.db2.gz YRGSDPOXYZDPGY-AWEZNQCLSA-N 1 0 377.423 4.221 20 0 GIADRO CCSc1ccccc1[C@H](C)[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000178487846 822384319 /nfs/dbraw/zinc/38/43/19/822384319.db2.gz MBYVYKICDFHROW-HOTGVXAUSA-N 1 0 392.590 4.461 20 0 GIADRO Cc1c([C@@H](C)[NH2+][C@H](C)CN2CCCC2=O)cnn1-c1ccc(Cl)cc1Cl ZINC000178491596 822385108 /nfs/dbraw/zinc/38/51/08/822385108.db2.gz HJGNBOPLDJWDHE-CHWSQXEVSA-N 1 0 395.334 4.149 20 0 GIADRO CCCCN(C)C(=O)C1CC[NH+](Cc2sc(C)cc2Br)CC1 ZINC000453567581 822385481 /nfs/dbraw/zinc/38/54/81/822385481.db2.gz VSUXTGDFKVJMFK-UHFFFAOYSA-N 1 0 387.387 4.290 20 0 GIADRO CC(C)c1ccc([C@H](C)NC(=O)C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)cc1 ZINC000453570121 822385987 /nfs/dbraw/zinc/38/59/87/822385987.db2.gz CUYXRWOMOREAKF-KSFYIVLOSA-N 1 0 393.531 4.175 20 0 GIADRO Cc1nn2c(C[NH2+][C@H](c3cccs3)C(C)(C)CO)c(C(C)C)nc2s1 ZINC000453571228 822385989 /nfs/dbraw/zinc/38/59/89/822385989.db2.gz BOBZQYQOSOMCSP-MRXNPFEDSA-N 1 0 378.567 4.134 20 0 GIADRO O=C(Nc1ccc2c(c1)OCO2)C1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000178510877 822386615 /nfs/dbraw/zinc/38/66/15/822386615.db2.gz GHRCSMNRNNJYTO-UHFFFAOYSA-N 1 0 378.428 4.012 20 0 GIADRO COc1ccc(NC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c2cccnc12 ZINC000182889248 822386789 /nfs/dbraw/zinc/38/67/89/822386789.db2.gz QJNMEGIOISTVLS-JKSUJKDBSA-N 1 0 382.508 4.018 20 0 GIADRO CC(C)c1noc(CCC[NH2+][C@H]2CCCOc3cc(Br)ccc32)n1 ZINC000178516773 822387048 /nfs/dbraw/zinc/38/70/48/822387048.db2.gz JKQDZLWBFJXEST-HNNXBMFYSA-N 1 0 394.313 4.392 20 0 GIADRO C[C@H](NC(=O)N(C)Cc1cccc(C(F)(F)F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182893367 822387375 /nfs/dbraw/zinc/38/73/75/822387375.db2.gz ABGVURVCSJJKPQ-RDJZCZTQSA-N 1 0 397.485 4.500 20 0 GIADRO C[C@@H](NC(=O)N(C)Cc1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182893351 822387454 /nfs/dbraw/zinc/38/74/54/822387454.db2.gz ABGVURVCSJJKPQ-NVXWUHKLSA-N 1 0 397.485 4.500 20 0 GIADRO Cc1cc(Br)c(C[NH2+]C[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)s1 ZINC000453579114 822387582 /nfs/dbraw/zinc/38/75/82/822387582.db2.gz BBTNGAMZUUIQAN-ZWNOBZJWSA-N 1 0 386.277 4.392 20 0 GIADRO COc1ccc(C[NH2+][C@@H](c2cccs2)C(C)(C)CO)c(Br)c1 ZINC000453579725 822387690 /nfs/dbraw/zinc/38/76/90/822387690.db2.gz RUGUWFYZDNCGDO-INIZCTEOSA-N 1 0 384.339 4.369 20 0 GIADRO CC(C)c1c(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)cnn1-c1ccccc1 ZINC000045444149 822387992 /nfs/dbraw/zinc/38/79/92/822387992.db2.gz YDAXBXADUJHRDF-LJQANCHMSA-N 1 0 382.533 4.090 20 0 GIADRO C[C@@H](NC(=O)N(CCC(F)(F)F)CC1CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182896477 822388056 /nfs/dbraw/zinc/38/80/56/822388056.db2.gz VEXZBABMFZMDPB-GDBMZVCRSA-N 1 0 375.479 4.013 20 0 GIADRO c1cn2c(C[NH+]3CCC4(CC3)OCCc3ccccc34)c(C3CC3)nc2s1 ZINC000453582530 822388157 /nfs/dbraw/zinc/38/81/57/822388157.db2.gz WKNLLXTXTXQXNR-UHFFFAOYSA-N 1 0 379.529 4.337 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+]CCCc2nnc3n2CCCCC3)cc1OCC ZINC000178528982 822388323 /nfs/dbraw/zinc/38/83/23/822388323.db2.gz SAAGAIQMZFVGNN-QGZVFWFLSA-N 1 0 386.540 4.085 20 0 GIADRO C[C@@H](NC(=O)c1ccc(C(F)(F)F)nc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182898602 822388700 /nfs/dbraw/zinc/38/87/00/822388700.db2.gz KOLSFXPRERSZPR-VXGBXAGGSA-N 1 0 389.849 4.137 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1ccccc1NC(=O)c1ccsc1)c1ccsc1 ZINC000045495937 822390898 /nfs/dbraw/zinc/39/08/98/822390898.db2.gz OCRAAADJXBNYCL-GOSISDBHSA-N 1 0 399.541 4.095 20 0 GIADRO C[C@H](NC(=O)N(C)Cc1ccccc1N1CCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182910857 822391077 /nfs/dbraw/zinc/39/10/77/822391077.db2.gz UATHESBAWBUUCB-VQTJNVASSA-N 1 0 398.595 4.081 20 0 GIADRO C[C@@H](NC(=O)N(C)Cc1ccccc1N1CCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182910921 822391145 /nfs/dbraw/zinc/39/11/45/822391145.db2.gz UATHESBAWBUUCB-UXHICEINSA-N 1 0 398.595 4.081 20 0 GIADRO Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@](O)(c2ccccc2)C(F)(F)F)c1C ZINC000178553612 822391427 /nfs/dbraw/zinc/39/14/27/822391427.db2.gz YPUXFIVNOPTWAG-QRWLVFNGSA-N 1 0 394.437 4.060 20 0 GIADRO C[C@H](NC(=O)N1CCc2[nH]c3ccc(F)cc3c2C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182912532 822391592 /nfs/dbraw/zinc/39/15/92/822391592.db2.gz MFFTXEUWZYWALU-JKSUJKDBSA-N 1 0 398.526 4.028 20 0 GIADRO C[C@@H](O)c1ccc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)cc1 ZINC000178556946 822391811 /nfs/dbraw/zinc/39/18/11/822391811.db2.gz VXUVMQALFFZHBH-DLBZAZTESA-N 1 0 387.545 4.307 20 0 GIADRO CC(C)C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)c1cccs1 ZINC000453605444 822391929 /nfs/dbraw/zinc/39/19/29/822391929.db2.gz OUCMHDWYBQJRQI-OALUTQOASA-N 1 0 399.560 4.139 20 0 GIADRO COc1ccc(C[C@H]([NH2+]Cc2ccc(CO)c(F)c2)c2ccc(OC)cc2)cc1 ZINC000178562705 822392026 /nfs/dbraw/zinc/39/20/26/822392026.db2.gz BNZYDQDYZGMEFG-DEOSSOPVSA-N 1 0 395.474 4.409 20 0 GIADRO OCc1ccc(C[NH2+][C@H]2CCCOc3c(Br)cccc32)cc1F ZINC000178562780 822392069 /nfs/dbraw/zinc/39/20/69/822392069.db2.gz QKYHMCPRRDIZLE-KRWDZBQOSA-N 1 0 380.257 4.084 20 0 GIADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)c2ccccc2C(F)(F)F)cc1 ZINC000178575137 822393106 /nfs/dbraw/zinc/39/31/06/822393106.db2.gz WQGIZOXWWUPJFA-STQMWFEESA-N 1 0 386.439 4.025 20 0 GIADRO CC(C)n1ncc2cc(C[NH2+][C@@H](c3ccccc3)C3(CO)CCCC3)cnc21 ZINC000453618136 822394087 /nfs/dbraw/zinc/39/40/87/822394087.db2.gz QBPITHDRRNRZIE-NRFANRHFSA-N 1 0 378.520 4.396 20 0 GIADRO Cc1ncccc1NC(=O)[C@H](C)[NH2+]CCCCc1cccc(C(F)(F)F)c1 ZINC000453622741 822394830 /nfs/dbraw/zinc/39/48/30/822394830.db2.gz ZRHSNAFVEHUMKQ-HNNXBMFYSA-N 1 0 379.426 4.348 20 0 GIADRO C[C@@H](c1cccc(Cl)c1)N(C)C(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000453622302 822394859 /nfs/dbraw/zinc/39/48/59/822394859.db2.gz VFECSBWVIHTIDE-VBKZILBWSA-N 1 0 399.922 4.047 20 0 GIADRO C[C@H](c1cccc(Cl)c1)N(C)C(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000453622303 822394920 /nfs/dbraw/zinc/39/49/20/822394920.db2.gz VFECSBWVIHTIDE-VLIAUNLRSA-N 1 0 399.922 4.047 20 0 GIADRO C[C@H]([NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)c1ccc(-n2cccn2)cc1 ZINC000178600083 822395252 /nfs/dbraw/zinc/39/52/52/822395252.db2.gz PPCIHAJZLWSUOV-IVMQYODDSA-N 1 0 384.524 4.359 20 0 GIADRO O[C@H](C[NH2+][C@H]1CCSc2c(F)cccc21)c1cc(Cl)c2c(c1)OCCO2 ZINC000178604412 822395766 /nfs/dbraw/zinc/39/57/66/822395766.db2.gz VVVFAQASZNEHFS-JKSUJKDBSA-N 1 0 395.883 4.110 20 0 GIADRO C[C@H]1CN(Cc2cccc(C[NH2+][C@@H]3CCSc4c(F)cccc43)c2)CCO1 ZINC000178616791 822396480 /nfs/dbraw/zinc/39/64/80/822396480.db2.gz ZBUDKKUWWXUXCK-HRAATJIYSA-N 1 0 386.536 4.373 20 0 GIADRO Cc1ccc(C)c([C@H](C)N(C)C(=O)C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)c1 ZINC000453640530 822396980 /nfs/dbraw/zinc/39/69/80/822396980.db2.gz RGSHPFDOMCJWJJ-HTAPYJJXSA-N 1 0 393.531 4.010 20 0 GIADRO C[C@@H](NC(=O)NC1(c2cccc(Cl)c2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182950082 822398566 /nfs/dbraw/zinc/39/85/66/822398566.db2.gz DIOQALTVRANOMY-CVEARBPZSA-N 1 0 375.944 4.281 20 0 GIADRO C[N@@H+]1CCC[C@H]2CN(Cc3csc(COc4ccc(Cl)cc4)n3)CC[C@@H]21 ZINC000178640087 822398751 /nfs/dbraw/zinc/39/87/51/822398751.db2.gz DDDUVQXDCJDTHT-KXBFYZLASA-N 1 0 391.968 4.292 20 0 GIADRO OCC[C@H](C[NH2+][C@@H]1CCCOc2c(Br)cccc21)c1ccccc1 ZINC000178648524 822399376 /nfs/dbraw/zinc/39/93/76/822399376.db2.gz AIRRWIRZYIQLQP-VQIMIIECSA-N 1 0 390.321 4.419 20 0 GIADRO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@H](CCO)c1ccccc1 ZINC000178646886 822399402 /nfs/dbraw/zinc/39/94/02/822399402.db2.gz GAFKBXZAKQKRLH-WBVHZDCISA-N 1 0 394.437 4.178 20 0 GIADRO OCC[C@H](C[NH2+][C@@H]1CCCOc2cc(Br)ccc21)c1ccccc1 ZINC000178653600 822399753 /nfs/dbraw/zinc/39/97/53/822399753.db2.gz XFBPKJMKPWRXHP-VQIMIIECSA-N 1 0 390.321 4.419 20 0 GIADRO C/C(=C\C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1)c1ccccc1Cl ZINC000178668211 822401117 /nfs/dbraw/zinc/40/11/17/822401117.db2.gz PDRLNRMCKFEAIX-INFVRCAFSA-N 1 0 383.923 4.480 20 0 GIADRO C[C@H](NC(=O)N1CCC([NH+]2CCCCC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000045625679 822401248 /nfs/dbraw/zinc/40/12/48/822401248.db2.gz SJZHDWPFUHJALQ-HNNXBMFYSA-N 1 0 383.458 4.426 20 0 GIADRO C/C(=C\C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1cccc(Cl)c1 ZINC000178679585 822402300 /nfs/dbraw/zinc/40/23/00/822402300.db2.gz GJQQMRUDVZTOPL-ZQHZRZASSA-N 1 0 383.923 4.480 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CC(C)(C)N2CCc3ccccc3C2)cc1NC(C)=O ZINC000178682387 822402463 /nfs/dbraw/zinc/40/24/63/822402463.db2.gz ABFKPMILCXMPTK-QGZVFWFLSA-N 1 0 395.547 4.141 20 0 GIADRO COCCC[C@@H]([NH2+]C[C@H](C)Cn1ccnc1C)c1ccc(Br)cc1 ZINC000178699708 822403880 /nfs/dbraw/zinc/40/38/80/822403880.db2.gz ODDURQIXGAQDLJ-HNAYVOBHSA-N 1 0 394.357 4.348 20 0 GIADRO COc1cc(NC(=O)C[NH2+][C@H](C)c2cc(C)sc2C)c(OC)cc1Cl ZINC000182986675 822405699 /nfs/dbraw/zinc/40/56/99/822405699.db2.gz GUJYBAOSWBZAGG-LLVKDONJSA-N 1 0 382.913 4.325 20 0 GIADRO Cc1cc([C@H](C)[NH2+]CC(=O)Nc2cc3c(cc2Cl)OCCCO3)c(C)s1 ZINC000182988550 822406310 /nfs/dbraw/zinc/40/63/10/822406310.db2.gz LCWODLVGAKSJNE-LBPRGKRZSA-N 1 0 394.924 4.469 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)C(=O)Nc3ccc(C4CCC4)cc3)ccc21 ZINC000453749527 822406620 /nfs/dbraw/zinc/40/66/20/822406620.db2.gz VVFJTEGACUPNGB-OAQYLSRUSA-N 1 0 377.488 4.080 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)C(=O)Nc3ccc(C4CCC4)cc3)ccc21 ZINC000453749526 822406724 /nfs/dbraw/zinc/40/67/24/822406724.db2.gz VVFJTEGACUPNGB-NRFANRHFSA-N 1 0 377.488 4.080 20 0 GIADRO O=C(N[C@H](C[C@H]1CCOC1)c1ccccc1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000178747329 822406951 /nfs/dbraw/zinc/40/69/51/822406951.db2.gz KKFXYITWLNUABY-NFBKMPQASA-N 1 0 399.579 4.108 20 0 GIADRO CCCCNC(=O)C1CC[NH+](Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC000182992560 822407161 /nfs/dbraw/zinc/40/71/61/822407161.db2.gz ARNPCBIAIZCXAE-UHFFFAOYSA-N 1 0 396.531 4.100 20 0 GIADRO CCC[C@@H](NC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1)c1ccccc1 ZINC000178765463 822408004 /nfs/dbraw/zinc/40/80/04/822408004.db2.gz JOZMEKKISONCBU-XMSQKQJNSA-N 1 0 380.536 4.448 20 0 GIADRO Cc1ccc2nc(-c3ccc(NC(=O)C[N@H+](C)C[C@H]4CCOC4)cc3)sc2c1 ZINC000178763775 822408095 /nfs/dbraw/zinc/40/80/95/822408095.db2.gz CORISQISUJZPIZ-MRXNPFEDSA-N 1 0 395.528 4.179 20 0 GIADRO CS(=O)(=O)c1cccc([C@H]([NH2+]CC2CCCC2)c2ccc(F)c(F)c2)c1 ZINC000178787301 822409822 /nfs/dbraw/zinc/40/98/22/822409822.db2.gz XRZGDYIMJBRZTD-FQEVSTJZSA-N 1 0 379.472 4.238 20 0 GIADRO COCC[NH+]1CCC(N[C@H](c2ccccc2Cl)c2ccccc2OC)CC1 ZINC000178791327 822410298 /nfs/dbraw/zinc/41/02/98/822410298.db2.gz MLLZKLDEITWKDD-JOCHJYFZSA-N 1 0 388.939 4.138 20 0 GIADRO CC(C)CC[N@H+](CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2)C1CC1 ZINC000045751772 822410383 /nfs/dbraw/zinc/41/03/83/822410383.db2.gz MDZVLPPCJCXAMG-FQEVSTJZSA-N 1 0 386.536 4.022 20 0 GIADRO CN(Cc1cccc2ccccc21)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000045754648 822410589 /nfs/dbraw/zinc/41/05/89/822410589.db2.gz WPFJLJFEVYSDGS-UHFFFAOYSA-N 1 0 388.515 4.041 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)N(C)[C@@H]2CCc3ccccc32)CC1 ZINC000045756558 822410861 /nfs/dbraw/zinc/41/08/61/822410861.db2.gz QSBDKMOBLCNHDI-HSZRJFAPSA-N 1 0 377.532 4.288 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)NCc2ccc(Cl)s2)CC1 ZINC000045757525 822410982 /nfs/dbraw/zinc/41/09/82/822410982.db2.gz QBEPJNCJVJFXEF-UHFFFAOYSA-N 1 0 377.941 4.174 20 0 GIADRO C[C@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)c1cc(Br)ccc1F ZINC000178798001 822411291 /nfs/dbraw/zinc/41/12/91/822411291.db2.gz FKQBMAAKKJRKJS-ZDUSSCGKSA-N 1 0 393.300 4.183 20 0 GIADRO CCOc1ccccc1NC(=O)[C@@H]([NH2+]CCCc1ccccn1)c1ccccc1 ZINC000178798333 822411308 /nfs/dbraw/zinc/41/13/08/822411308.db2.gz XCDZUVIKJJCYGN-QHCPKHFHSA-N 1 0 389.499 4.383 20 0 GIADRO C[C@@H](NC1CC[NH+](CC2CC2)CC1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000178800695 822411473 /nfs/dbraw/zinc/41/14/73/822411473.db2.gz GSFBJEJNXNQDKQ-DYESRHJHSA-N 1 0 390.543 4.299 20 0 GIADRO C[C@H](NC1CC[NH+](CC2CC2)CC1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000178800656 822411537 /nfs/dbraw/zinc/41/15/37/822411537.db2.gz GSFBJEJNXNQDKQ-UWJYYQICSA-N 1 0 390.543 4.299 20 0 GIADRO COc1ccc(C[NH2+][C@H](C)c2ccc(OC[C@H]3CCCCO3)c(F)c2)cc1O ZINC000178801886 822411790 /nfs/dbraw/zinc/41/17/90/822411790.db2.gz HPUHQAPVIGBJHP-CRAIPNDOSA-N 1 0 389.467 4.339 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)Nc2cc(F)c(OC)c(F)c2)CC1 ZINC000183020407 822412406 /nfs/dbraw/zinc/41/24/06/822412406.db2.gz OIJIRZVCVITRLV-UHFFFAOYSA-N 1 0 383.483 4.339 20 0 GIADRO Cc1c(N[C@H](C)c2cccc(OCC[NH+](C)C)c2)cccc1C(=O)N1CCCC1 ZINC000183020576 822412608 /nfs/dbraw/zinc/41/26/08/822412608.db2.gz QCKZIVCHVNYHOW-LJQANCHMSA-N 1 0 395.547 4.345 20 0 GIADRO COc1ccc(CN(C)C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000045779294 822412633 /nfs/dbraw/zinc/41/26/33/822412633.db2.gz VWEHKPYEBJHYEZ-LJQANCHMSA-N 1 0 395.547 4.411 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCc2ccc(O)cc2C1 ZINC000045780800 822412974 /nfs/dbraw/zinc/41/29/74/822412974.db2.gz GSZKXOGXBZWTKF-GOSISDBHSA-N 1 0 393.531 4.035 20 0 GIADRO Cc1cc([C@H]2CCCN2C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)no1 ZINC000045780651 822413077 /nfs/dbraw/zinc/41/30/77/822413077.db2.gz SWOLIZAMOHUIAH-HTAPYJJXSA-N 1 0 396.535 4.404 20 0 GIADRO CSc1ccccc1C(=O)Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000178816726 822413300 /nfs/dbraw/zinc/41/33/00/822413300.db2.gz WSNQSPJKCFINOG-SFHVURJKSA-N 1 0 392.528 4.304 20 0 GIADRO COc1cccc(CN(C)C(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000045786644 822413420 /nfs/dbraw/zinc/41/34/20/822413420.db2.gz ZYQUPDREMCICDN-IBGZPJMESA-N 1 0 395.547 4.269 20 0 GIADRO CCN(Cc1ccncc1)C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000045786615 822413506 /nfs/dbraw/zinc/41/35/06/822413506.db2.gz YDGLXJCSVQJGHN-LJQANCHMSA-N 1 0 380.536 4.045 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)NCCC1=CCCCC1)c1ccc(NC(=O)C2CC2)cc1 ZINC000045812640 822415420 /nfs/dbraw/zinc/41/54/20/822415420.db2.gz MCPMOIXDFQWYQI-SJORKVTESA-N 1 0 383.536 4.081 20 0 GIADRO CCOc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000045812746 822415704 /nfs/dbraw/zinc/41/57/04/822415704.db2.gz KODGOJMMWYLUQX-CVEARBPZSA-N 1 0 395.503 4.112 20 0 GIADRO Cc1ccc(F)cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000045812852 822415715 /nfs/dbraw/zinc/41/57/15/822415715.db2.gz QLUYWOOWPCOOON-HUUCEWRRSA-N 1 0 383.467 4.160 20 0 GIADRO C[C@H]([NH3+])C1CCN(C(=O)[C@H](Sc2ccc(F)cc2F)c2ccccc2)CC1 ZINC000178852141 822416448 /nfs/dbraw/zinc/41/64/48/822416448.db2.gz HWRLVEXYKSHURX-VBKZILBWSA-N 1 0 390.499 4.384 20 0 GIADRO C[C@@H]([NH3+])C1CCN(C(=O)[C@@H](Sc2ccc(F)cc2F)c2ccccc2)CC1 ZINC000178852177 822416483 /nfs/dbraw/zinc/41/64/83/822416483.db2.gz HWRLVEXYKSHURX-VLIAUNLRSA-N 1 0 390.499 4.384 20 0 GIADRO Cc1c(C(=O)NC2CC[NH+](CC3CCCC3)CC2)cccc1-c1ccccn1 ZINC000178858017 822416805 /nfs/dbraw/zinc/41/68/05/822416805.db2.gz BXKIUUXRMBMGKM-UHFFFAOYSA-N 1 0 377.532 4.441 20 0 GIADRO CCn1ncc2ccc(NC(=O)N3CCC(CCC[NH+](CC)CC)CC3)cc21 ZINC000183053823 822417881 /nfs/dbraw/zinc/41/78/81/822417881.db2.gz MASKUGRCAHVJGA-UHFFFAOYSA-N 1 0 385.556 4.422 20 0 GIADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCC[C@@H]2c2cccc(F)c2)CC1 ZINC000178887229 822419204 /nfs/dbraw/zinc/41/92/04/822419204.db2.gz NCHGTHQIMMVZRO-HTAPYJJXSA-N 1 0 396.510 4.293 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)CCCc2c[nH]c3ccccc23)CC1 ZINC000045865465 822419988 /nfs/dbraw/zinc/41/99/88/822419988.db2.gz QHJQHNPKCHAQLT-UHFFFAOYSA-N 1 0 390.531 4.271 20 0 GIADRO CC[C@H](Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccc2c(c1)CCO2 ZINC000183072336 822420624 /nfs/dbraw/zinc/42/06/24/822420624.db2.gz TVOIESDMLVEVCW-QHCPKHFHSA-N 1 0 380.532 4.389 20 0 GIADRO COc1ccc([C@H](Nc2cccc(C[NH+]3CCC(CO)CC3)c2)C2CC2)cc1 ZINC000183073726 822420653 /nfs/dbraw/zinc/42/06/53/822420653.db2.gz AEGGIGMRMGBSAP-XMMPIXPASA-N 1 0 380.532 4.463 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)C(=O)Nc3ccc4c5c(cccc53)CC4)ccc21 ZINC000453980776 822420858 /nfs/dbraw/zinc/42/08/58/822420858.db2.gz JVBVCAYDGGEXGX-QFIPXVFZSA-N 1 0 399.494 4.065 20 0 GIADRO COc1ccc([C@@H](C)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)c(OC)c1 ZINC000183074969 822421211 /nfs/dbraw/zinc/42/12/11/822421211.db2.gz PJYZVKQDHAQEGM-QGZVFWFLSA-N 1 0 384.520 4.081 20 0 GIADRO C[NH+](C)Cc1c2ccccc2oc1C(=O)NCc1cc(Cl)cc2c1OCC2 ZINC000183077082 822421393 /nfs/dbraw/zinc/42/13/93/822421393.db2.gz MGQNKVLNSCVLSM-UHFFFAOYSA-N 1 0 384.863 4.013 20 0 GIADRO C[C@H](Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccc(-n2ccnc2)cc1 ZINC000183076617 822421402 /nfs/dbraw/zinc/42/14/02/822421402.db2.gz QFXHFJLYLLKUEP-IBGZPJMESA-N 1 0 390.531 4.250 20 0 GIADRO C[C@H](Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1cc(F)c(F)c(F)c1 ZINC000183081148 822422236 /nfs/dbraw/zinc/42/22/36/822422236.db2.gz UVYABIXTMMQXIA-AWEZNQCLSA-N 1 0 378.438 4.481 20 0 GIADRO Cc1ccc(-c2ccc(C(=O)NCC3([NH+]4CCCCC4)CCOCC3)s2)o1 ZINC000183102322 822424354 /nfs/dbraw/zinc/42/43/54/822424354.db2.gz XJWPCGLCLGFXFP-UHFFFAOYSA-N 1 0 388.533 4.081 20 0 GIADRO O=C(Cc1cc2c(ccc3ccccc23)o1)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000178961656 822424862 /nfs/dbraw/zinc/42/48/62/822424862.db2.gz BZFGVWHDYATHAO-UHFFFAOYSA-N 1 0 399.494 4.304 20 0 GIADRO C[S@](=O)C[C@H]([NH2+]CCCOc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000183104940 822424980 /nfs/dbraw/zinc/42/49/80/822424980.db2.gz HRPZDGBOBRTWNF-QYBDOPJKSA-N 1 0 385.451 4.184 20 0 GIADRO C[S@@](=O)C[C@@H]([NH2+]CCCOc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000183104960 822425099 /nfs/dbraw/zinc/42/50/99/822425099.db2.gz HRPZDGBOBRTWNF-WXTAPIANSA-N 1 0 385.451 4.184 20 0 GIADRO C[NH2+]C[C@H]1CCN(C(=O)c2c3c(nc4ccccc42)/C(=C\c2ccccc2)CC3)C1 ZINC000178969782 822425463 /nfs/dbraw/zinc/42/54/63/822425463.db2.gz HFMFMXRHPGNVMT-GCFJHJGGSA-N 1 0 397.522 4.403 20 0 GIADRO CC(C)(C)OC(=O)Nc1cccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000178990468 822427087 /nfs/dbraw/zinc/42/70/87/822427087.db2.gz PPWWIOMFBRXFAL-PXNSSMCTSA-N 1 0 399.535 4.123 20 0 GIADRO COc1cc(C[NH2+][C@@H]2CCOC2)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000178994876 822427530 /nfs/dbraw/zinc/42/75/30/822427530.db2.gz YNHNMTWGRXRPDP-QGZVFWFLSA-N 1 0 381.394 4.172 20 0 GIADRO C[NH2+]C[C@@H]1CCN(C(=O)c2sc(-c3ccccc3)nc2-c2ccccc2)C1 ZINC000179003827 822428872 /nfs/dbraw/zinc/42/88/72/822428872.db2.gz FIGFDCSKCQUNHZ-INIZCTEOSA-N 1 0 377.513 4.159 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N(C)Cc2cccc(F)c2)cc1 ZINC000183136476 822429045 /nfs/dbraw/zinc/42/90/45/822429045.db2.gz DNOKEXODFQVWNI-IRXDYDNUSA-N 1 0 394.494 4.018 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)c1 ZINC000045980283 822429376 /nfs/dbraw/zinc/42/93/76/822429376.db2.gz YCCGVZQBPGNAGD-QGZVFWFLSA-N 1 0 394.519 4.341 20 0 GIADRO CCOc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(-n3ccnc3C)cc2)cc1 ZINC000183141329 822430102 /nfs/dbraw/zinc/43/01/02/822430102.db2.gz UWBZHZRWKKRQEC-SJORKVTESA-N 1 0 392.503 4.257 20 0 GIADRO COc1ccc([C@@H]2CCCN2C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000045984760 822430166 /nfs/dbraw/zinc/43/01/66/822430166.db2.gz RVCVKRVFJBVTIT-QHCPKHFHSA-N 1 0 393.531 4.338 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000183145448 822430760 /nfs/dbraw/zinc/43/07/60/822430760.db2.gz MZFPPMJOVKPNIY-AWEZNQCLSA-N 1 0 398.894 4.132 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)Nc2cnn(Cc3ccccc3)c2)CC1 ZINC000183147787 822431209 /nfs/dbraw/zinc/43/12/09/822431209.db2.gz XSNOZWJTRGBIET-UHFFFAOYSA-N 1 0 397.567 4.297 20 0 GIADRO Cc1cc(C)c(NC(=O)CCC[NH2+][C@@H](C[S@](C)=O)c2ccccc2)c(C)c1 ZINC000183149605 822431626 /nfs/dbraw/zinc/43/16/26/822431626.db2.gz WNFAZFGKJJZYMU-DCFHFQCYSA-N 1 0 386.561 4.040 20 0 GIADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)Nc3ccc(OCc4ccccc4)cc3)C2)C1 ZINC000454128090 822431902 /nfs/dbraw/zinc/43/19/02/822431902.db2.gz AXGXOCOWYLRMPT-HSZRJFAPSA-N 1 0 379.504 4.215 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cc(F)ccc2C)cc1 ZINC000183151088 822431929 /nfs/dbraw/zinc/43/19/29/822431929.db2.gz PTJUADOHUVJSKY-JKSUJKDBSA-N 1 0 380.467 4.306 20 0 GIADRO CNC(=O)c1ccc(C[NH2+]CCc2csc(-c3ccc(Cl)cc3)n2)cc1 ZINC000179048784 822433489 /nfs/dbraw/zinc/43/34/89/822433489.db2.gz DRLDBHWZMUBYQN-UHFFFAOYSA-N 1 0 385.920 4.155 20 0 GIADRO Cc1ccc(-c2nc(C[NH2+]C[C@H]3CC(=O)N(Cc4ccccc4)C3)cs2)cc1 ZINC000179053043 822433628 /nfs/dbraw/zinc/43/36/28/822433628.db2.gz WESMJIGTEJMFHU-LJQANCHMSA-N 1 0 391.540 4.257 20 0 GIADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)Nc2cccc(OCC(F)(F)F)c2)C1 ZINC000046008499 822433987 /nfs/dbraw/zinc/43/39/87/822433987.db2.gz IGNKKTVNJWSMOI-OAHLLOKOSA-N 1 0 387.446 4.261 20 0 GIADRO O=C1C[C@@H](C[NH2+]Cc2cc(C(F)(F)F)ccc2Cl)CN1Cc1ccccc1 ZINC000179057646 822434275 /nfs/dbraw/zinc/43/42/75/822434275.db2.gz DKSYAFPIYPWPAT-HNNXBMFYSA-N 1 0 396.840 4.497 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)CSc2ccc3c(c2)OCCO3)c1 ZINC000046016186 822435138 /nfs/dbraw/zinc/43/51/38/822435138.db2.gz DUYBQLHRXPWQPO-UHFFFAOYSA-N 1 0 386.517 4.030 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)N2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000454168728 822435174 /nfs/dbraw/zinc/43/51/74/822435174.db2.gz PCUXUQCZTKACPJ-YADHBBJMSA-N 1 0 399.579 4.019 20 0 GIADRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+]Cc3ccc(F)c(Cl)c3)cc2)C[C@H](C)O1 ZINC000179071869 822435191 /nfs/dbraw/zinc/43/51/91/822435191.db2.gz DYOCGSVGJOGOOA-GASCZTMLSA-N 1 0 390.886 4.018 20 0 GIADRO COc1ccc([C@@H](CNC(=O)Nc2ccc(N(C)C)cc2C)[NH+]2CCCC2)cc1 ZINC000046030959 822436957 /nfs/dbraw/zinc/43/69/57/822436957.db2.gz YQSNAQWPUAWIQR-JOCHJYFZSA-N 1 0 396.535 4.028 20 0 GIADRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(Cl)nc2)cc1 ZINC000179096677 822437947 /nfs/dbraw/zinc/43/79/47/822437947.db2.gz SVVXEHBOVVDCCY-HUUCEWRRSA-N 1 0 395.956 4.177 20 0 GIADRO Cc1nc(-c2ccc([C@H](C)NC(=O)NCCCC[N@H+](C)C3CC3)cc2)cs1 ZINC000454202791 822438500 /nfs/dbraw/zinc/43/85/00/822438500.db2.gz KJSADDGNVPOAAJ-HNNXBMFYSA-N 1 0 386.565 4.353 20 0 GIADRO O=C(NC1CC[NH+](C2CC2)CC1)N[C@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC000454206618 822438822 /nfs/dbraw/zinc/43/88/22/822438822.db2.gz GWJJXZDKQOTWRY-LPHOPBHVSA-N 1 0 375.944 4.292 20 0 GIADRO Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000179107648 822438847 /nfs/dbraw/zinc/43/88/47/822438847.db2.gz GOBHLUMLHZEOAT-INIZCTEOSA-N 1 0 376.850 4.478 20 0 GIADRO Cc1cccc(C(=O)Nc2ccc(C(=O)N(C)[C@@H]3CCC[N@H+](C)C3)cc2)c1Cl ZINC000179118835 822440077 /nfs/dbraw/zinc/44/00/77/822440077.db2.gz KMIUTOAHSCWFLV-GOSISDBHSA-N 1 0 399.922 4.067 20 0 GIADRO C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCSc3c(F)cccc32)[C@@H]1c1ccccc1 ZINC000179124261 822440814 /nfs/dbraw/zinc/44/08/14/822440814.db2.gz CRZXYSUZVJLMIL-QYZOEREBSA-N 1 0 385.508 4.107 20 0 GIADRO O=C(C[N@H+](C[C@@H]1CCOC1)C1CC1)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000046092276 822440856 /nfs/dbraw/zinc/44/08/56/822440856.db2.gz FNKJYRLPTZPCBL-SBUREZEXSA-N 1 0 398.934 4.047 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)N1CCC[C@]2(CCOC2)C1)C1CCCCC1 ZINC000454226720 822440906 /nfs/dbraw/zinc/44/09/06/822440906.db2.gz KXCBCKPKKPDUCF-QHCPKHFHSA-N 1 0 385.552 4.486 20 0 GIADRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)NCCC[C@H]2CCOC2)cc1 ZINC000454227467 822441085 /nfs/dbraw/zinc/44/10/85/822441085.db2.gz MJRMEOJZXQDDGC-FQEVSTJZSA-N 1 0 395.547 4.031 20 0 GIADRO CCc1ccc(NC(=O)[C@H](C)[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)cc1 ZINC000183203832 822441090 /nfs/dbraw/zinc/44/10/90/822441090.db2.gz GXQCRQAKWJLJQV-AWEZNQCLSA-N 1 0 394.441 4.128 20 0 GIADRO COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC000179136036 822441939 /nfs/dbraw/zinc/44/19/39/822441939.db2.gz WLYJZYATBTYLCM-GFCCVEGCSA-N 1 0 382.291 4.385 20 0 GIADRO Cc1cc(CNC(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)ccn1 ZINC000454234362 822441925 /nfs/dbraw/zinc/44/19/25/822441925.db2.gz ZDHOLQDOFKKSDF-UHFFFAOYSA-N 1 0 388.515 4.118 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000454241374 822442585 /nfs/dbraw/zinc/44/25/85/822442585.db2.gz BUWLPFAEORORLD-NRFANRHFSA-N 1 0 379.504 4.312 20 0 GIADRO CCN(Cc1ccncc1)C(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000046129330 822442893 /nfs/dbraw/zinc/44/28/93/822442893.db2.gz NNFQCUHNXRZPDE-BGYRXZFFSA-N 1 0 394.563 4.291 20 0 GIADRO O=C(NCc1ccc(COc2ccccc2)cc1)NC1CC[NH+](C2CCC2)CC1 ZINC000454251567 822443606 /nfs/dbraw/zinc/44/36/06/822443606.db2.gz CAKYTYVGUORTOL-UHFFFAOYSA-N 1 0 393.531 4.082 20 0 GIADRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccc3cnccc32)C1)Nc1cccc(F)c1 ZINC000183220363 822443627 /nfs/dbraw/zinc/44/36/27/822443627.db2.gz UXUSKDITMYYZEN-KRWDZBQOSA-N 1 0 392.478 4.408 20 0 GIADRO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)c1 ZINC000183227318 822444456 /nfs/dbraw/zinc/44/44/56/822444456.db2.gz HQHYMXSBGJQTTC-FBBABVLZSA-N 1 0 389.923 4.146 20 0 GIADRO COc1ccccc1[C@@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1ccccc1 ZINC000183230981 822444850 /nfs/dbraw/zinc/44/48/50/822444850.db2.gz OKPMIBRWZBIHQC-FQEVSTJZSA-N 1 0 378.438 4.401 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3csc(-c4cnn(C)c4)n3)cc2)C1 ZINC000046156242 822445389 /nfs/dbraw/zinc/44/53/89/822445389.db2.gz SWKDQTNGVDYZSK-OAHLLOKOSA-N 1 0 395.532 4.028 20 0 GIADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)NCCCC(C)(F)F)CC1 ZINC000454260781 822445434 /nfs/dbraw/zinc/44/54/34/822445434.db2.gz GPPGEBSETCAMJF-UHFFFAOYSA-N 1 0 388.890 4.039 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1)c1cccs1 ZINC000454263098 822445878 /nfs/dbraw/zinc/44/58/78/822445878.db2.gz AFRUQCKTQJUUBR-ARFHVFGLSA-N 1 0 393.350 4.033 20 0 GIADRO COc1ccc(-c2nc(CN3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cs2)cc1 ZINC000179170335 822446861 /nfs/dbraw/zinc/44/68/61/822446861.db2.gz ZOUAQKCNHZBWAF-UTKZUKDTSA-N 1 0 383.561 4.267 20 0 GIADRO CN(C(=O)Nc1ccccc1N1CCCC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000454272099 822447579 /nfs/dbraw/zinc/44/75/79/822447579.db2.gz TWOOLYMSKUJLGU-UHFFFAOYSA-N 1 0 398.473 4.167 20 0 GIADRO C[C@H](C[N@H+](C)Cc1cnn(-c2ccc(Br)cc2)c1)c1nccs1 ZINC000183249241 822448328 /nfs/dbraw/zinc/44/83/28/822448328.db2.gz ZPIGAGVKIGIDKZ-CYBMUJFWSA-N 1 0 391.338 4.327 20 0 GIADRO C[C@H]([NH2+][C@H]1CCCN(Cc2ccccc2)C1)c1ncc(Br)s1 ZINC000179202981 822450264 /nfs/dbraw/zinc/45/02/64/822450264.db2.gz MOARWHXGMONISR-ZFWWWQNUSA-N 1 0 380.355 4.221 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCc2c1cccc2Br)c1ccc(S(C)(=O)=O)cc1 ZINC000179203609 822450526 /nfs/dbraw/zinc/45/05/26/822450526.db2.gz QPUGSCCZEZZDCT-KPZWWZAWSA-N 1 0 394.334 4.191 20 0 GIADRO COc1cccc([C@@H]2[C@@H](NC(=O)C(C)(C)c3cccs3)CC[N@@H+]2C2CC2)c1 ZINC000183274773 822452137 /nfs/dbraw/zinc/45/21/37/822452137.db2.gz PECCPJAGGBXFJT-AZUAARDMSA-N 1 0 384.545 4.129 20 0 GIADRO Fc1ccc([C@@H]([NH2+]C[C@@H](c2cccs2)N2CCOCC2)c2ccccc2)nc1 ZINC000183291643 822454030 /nfs/dbraw/zinc/45/40/30/822454030.db2.gz XGMXGHLDMNZXAX-UNMCSNQZSA-N 1 0 397.519 4.035 20 0 GIADRO CO[C@H]1CCN(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)CC1(C)C ZINC000454306089 822455413 /nfs/dbraw/zinc/45/54/13/822455413.db2.gz HIQWQTLRPOHKNA-RXVVDRJESA-N 1 0 387.568 4.018 20 0 GIADRO COCc1cccc(C[NH+]2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)c1 ZINC000179237725 822455815 /nfs/dbraw/zinc/45/58/15/822455815.db2.gz HQKWYDVYWHFIJP-UHFFFAOYSA-N 1 0 392.543 4.236 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1)c1ncc(Br)s1 ZINC000179237740 822455825 /nfs/dbraw/zinc/45/58/25/822455825.db2.gz CCBHRROGDGLHIP-ZYHUDNBSSA-N 1 0 386.746 4.489 20 0 GIADRO COC(=O)COc1ccccc1[C@H](C)[NH2+]CCc1csc(-c2ccccc2)n1 ZINC000183310281 822456911 /nfs/dbraw/zinc/45/69/11/822456911.db2.gz YWAMVOQGFWQMSF-INIZCTEOSA-N 1 0 396.512 4.255 20 0 GIADRO O=C(N[C@H]1CC[C@H](c2cccc(Cl)c2)C1)NC1CC[NH+](CC2CC2)CC1 ZINC000454316365 822457191 /nfs/dbraw/zinc/45/71/91/822457191.db2.gz ZNROKQGPAOOKKM-PXNSSMCTSA-N 1 0 375.944 4.150 20 0 GIADRO C[C@H](C[C@@H](O)c1ccco1)[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000179259203 822458240 /nfs/dbraw/zinc/45/82/40/822458240.db2.gz IDSCJBPMIHFTDA-DAXOMENPSA-N 1 0 380.282 4.358 20 0 GIADRO COC(=O)COc1ccccc1[C@@H](C)[NH2+]Cc1ccc2cc(OC)ccc2c1 ZINC000183317220 822458288 /nfs/dbraw/zinc/45/82/88/822458288.db2.gz RVZAOJCBCOLGNE-MRXNPFEDSA-N 1 0 379.456 4.251 20 0 GIADRO COC(=O)COc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000183321186 822458757 /nfs/dbraw/zinc/45/87/57/822458757.db2.gz RZWULOGCTUQHGL-UONOGXRCSA-N 1 0 379.403 4.252 20 0 GIADRO CC(C)(C)[NH+]1CCC(NC(=O)c2csc(-c3ccc(F)c(F)c3)n2)CC1 ZINC000183326287 822459379 /nfs/dbraw/zinc/45/93/79/822459379.db2.gz VIPDSOKABQRIPR-UHFFFAOYSA-N 1 0 379.476 4.081 20 0 GIADRO Cc1cnc(CCN(C)C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)s1 ZINC000179274742 822460004 /nfs/dbraw/zinc/46/00/04/822460004.db2.gz FTQPVCHWRWRWJR-UHFFFAOYSA-N 1 0 393.556 4.398 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@H]2CCN(c3ccc(Cl)cc3)C2)cc1NC(C)=O ZINC000183334113 822460247 /nfs/dbraw/zinc/46/02/47/822460247.db2.gz NBWDKNLTWHCLDJ-KSSFIOAISA-N 1 0 387.911 4.237 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3ccc(Cl)cc3)C2)cc1NC(C)=O ZINC000183334093 822460303 /nfs/dbraw/zinc/46/03/03/822460303.db2.gz NBWDKNLTWHCLDJ-RDTXWAMCSA-N 1 0 387.911 4.237 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3ccc(Cl)cc3)C2)cc1NC(C)=O ZINC000183334129 822460452 /nfs/dbraw/zinc/46/04/52/822460452.db2.gz NBWDKNLTWHCLDJ-KDOFPFPSSA-N 1 0 387.911 4.237 20 0 GIADRO CC(C)[NH+]1CCC(NC(=O)[C@@H]2CC=CC[C@H]2c2nc3ccccc3s2)CC1 ZINC000046319930 822461057 /nfs/dbraw/zinc/46/10/57/822461057.db2.gz NJYMEEORZQGKSL-QZTJIDSGSA-N 1 0 383.561 4.335 20 0 GIADRO Cc1cc(/C=C(\C#N)C(=O)NC2CC[NH+](C(C)C)CC2)c(C)n1CCC(C)C ZINC000046319716 822461077 /nfs/dbraw/zinc/46/10/77/822461077.db2.gz PEZJMLWQVKFAHR-KGENOOAVSA-N 1 0 384.568 4.047 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000179288293 822461342 /nfs/dbraw/zinc/46/13/42/822461342.db2.gz CCMIGXZYCYZZNP-UHFFFAOYSA-N 1 0 383.540 4.075 20 0 GIADRO Cc1ccc(-n2ncc(C(=O)NC3CC[NH+](C4CC4)CC3)c2C2CC2)cc1Cl ZINC000046326336 822461402 /nfs/dbraw/zinc/46/14/02/822461402.db2.gz BPOVURHVBHQEJN-UHFFFAOYSA-N 1 0 398.938 4.068 20 0 GIADRO C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000046334779 822462192 /nfs/dbraw/zinc/46/21/92/822462192.db2.gz HJVFIUVAEMSADD-INIZCTEOSA-N 1 0 389.540 4.303 20 0 GIADRO CCc1ncc(CNC(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)o1 ZINC000454366987 822463076 /nfs/dbraw/zinc/46/30/76/822463076.db2.gz NYNDLCZAHSMJSO-UHFFFAOYSA-N 1 0 384.524 4.001 20 0 GIADRO O[C@H](COc1ccccc1F)C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000046343371 822463491 /nfs/dbraw/zinc/46/34/91/822463491.db2.gz JNAYFZZXCOSTHA-HOTGVXAUSA-N 1 0 386.492 4.055 20 0 GIADRO O[C@@H](COCc1ccccc1F)C[N@H+](Cc1ccco1)Cc1cccs1 ZINC000046344351 822463794 /nfs/dbraw/zinc/46/37/94/822463794.db2.gz ZORNQLGLFKUXRG-QGZVFWFLSA-N 1 0 375.465 4.060 20 0 GIADRO CSc1ccc([C@@H](CNC(=O)Nc2ccc3nc(C)oc3c2)[NH+](C)C)cc1 ZINC000454376822 822465114 /nfs/dbraw/zinc/46/51/14/822465114.db2.gz LCDITVDHIILTNG-GOSISDBHSA-N 1 0 384.505 4.283 20 0 GIADRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)NC[C@@H]1CCCCC1(F)F ZINC000454377097 822465181 /nfs/dbraw/zinc/46/51/81/822465181.db2.gz MHVZCAQPZNKQFJ-IBGZPJMESA-N 1 0 379.495 4.023 20 0 GIADRO C[N@H+](CCCCNC(=O)Nc1cc(Cl)ccc1OCC(F)(F)F)C1CC1 ZINC000454378439 822465515 /nfs/dbraw/zinc/46/55/15/822465515.db2.gz NBJKRBICOPWBIU-UHFFFAOYSA-N 1 0 393.837 4.277 20 0 GIADRO Cc1oc(-c2ccccc2)nc1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000046375431 822467194 /nfs/dbraw/zinc/46/71/94/822467194.db2.gz ZSTGEIDPGJENPX-UHFFFAOYSA-N 1 0 375.472 4.176 20 0 GIADRO Cc1oc(-c2cccs2)nc1CC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000046375736 822467231 /nfs/dbraw/zinc/46/72/31/822467231.db2.gz RCBIBCFMPADXIH-UHFFFAOYSA-N 1 0 395.528 4.166 20 0 GIADRO CC[C@H](C)n1ncc(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)c1C1CC1 ZINC000179347281 822468940 /nfs/dbraw/zinc/46/89/40/822468940.db2.gz OBKBRMQACUQXJC-SFHVURJKSA-N 1 0 394.563 4.168 20 0 GIADRO COc1ccc(C[NH+]2CCC(C(=O)NCc3ccc(C)cc3)CC2)cc1Cl ZINC000179354014 822469993 /nfs/dbraw/zinc/46/99/93/822469993.db2.gz LGGQZPUTYNPGHE-UHFFFAOYSA-N 1 0 386.923 4.185 20 0 GIADRO Brc1ccc(-c2nnc(C[NH2+][C@@H](Cc3ccccc3)C3CC3)o2)o1 ZINC000183409402 822470080 /nfs/dbraw/zinc/47/00/80/822470080.db2.gz KBSVGYODTYHKLB-AWEZNQCLSA-N 1 0 388.265 4.203 20 0 GIADRO COC(=O)COc1ccccc1[C@H](C)[NH2+]Cc1cccc(NC(=O)CC(C)C)c1 ZINC000183408788 822470091 /nfs/dbraw/zinc/47/00/91/822470091.db2.gz LRWDPJKUCQGROE-KRWDZBQOSA-N 1 0 398.503 4.074 20 0 GIADRO C[N@@H+]1CCCN(c2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2)CC1 ZINC000046403760 822470389 /nfs/dbraw/zinc/47/03/89/822470389.db2.gz SSDUMIHBIMOFDC-UHFFFAOYSA-N 1 0 377.410 4.100 20 0 GIADRO CN(Cc1c(F)cccc1F)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000454408154 822470612 /nfs/dbraw/zinc/47/06/12/822470612.db2.gz ANSLQCGWSOZOSB-HNNXBMFYSA-N 1 0 393.503 4.080 20 0 GIADRO C[N@@H+]1CCCN(c2ccc(NC(=O)c3cc(Cl)sc3Cl)cc2)CC1 ZINC000046404394 822470643 /nfs/dbraw/zinc/47/06/43/822470643.db2.gz NKQPYONXWSIIKS-UHFFFAOYSA-N 1 0 384.332 4.449 20 0 GIADRO Cc1ccc2c(c1)[C@@H](NC(=O)NC1CC[NH+]([C@H](C)c3ccncc3)CC1)CCC2 ZINC000179362080 822471311 /nfs/dbraw/zinc/47/13/11/822471311.db2.gz ODPAHZNHTSOYQL-JPYJTQIMSA-N 1 0 392.547 4.292 20 0 GIADRO C[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(Cl)nc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179363598 822471746 /nfs/dbraw/zinc/47/17/46/822471746.db2.gz INYYEPVHLJUIHZ-PXAZEXFGSA-N 1 0 397.281 4.342 20 0 GIADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)Nc3cccc(COc4cccc(F)c4)c3)C2)C1 ZINC000454428118 822474216 /nfs/dbraw/zinc/47/42/16/822474216.db2.gz PKOMKVHJRUEQRV-QHCPKHFHSA-N 1 0 397.494 4.354 20 0 GIADRO CC(C)n1ncc2ccc(NC(=O)N[C@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)cc21 ZINC000183447769 822476549 /nfs/dbraw/zinc/47/65/49/822476549.db2.gz INEFYLVTTAOAFK-SJLPKXTDSA-N 1 0 383.540 4.392 20 0 GIADRO CCO[C@@H](C)c1nc(CN(C)CCC2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000179394814 822476587 /nfs/dbraw/zinc/47/65/87/822476587.db2.gz GEWLJEFGKIOTRV-KRWDZBQOSA-N 1 0 388.581 4.374 20 0 GIADRO CSc1ccc([C@@H](CNC(=O)Nc2ccc(N(C)C)cc2C)[NH+](C)C)cc1 ZINC000454446959 822477169 /nfs/dbraw/zinc/47/71/69/822477169.db2.gz ZATZWZWPERUWNT-HXUWFJFHSA-N 1 0 386.565 4.207 20 0 GIADRO CCOc1cc(C[NH2+][C@@H](C)c2cnc3cc(C)nn3c2C)ccc1OC(F)F ZINC000179400436 822477338 /nfs/dbraw/zinc/47/73/38/822477338.db2.gz KCHCCIJSNGFYKT-ZDUSSCGKSA-N 1 0 390.434 4.197 20 0 GIADRO Cc1cc2ncc([C@H](C)[NH2+]Cc3cccc(NC(=O)C4CCCC4)c3)c(C)n2n1 ZINC000179401903 822477625 /nfs/dbraw/zinc/47/76/25/822477625.db2.gz RZTHMFYACMVOHK-INIZCTEOSA-N 1 0 391.519 4.326 20 0 GIADRO CC[C@@H]([NH2+]Cc1cccc(C(=O)NC[C@@H]2CCCO2)c1)c1cc(C)ccc1OC ZINC000179408170 822478384 /nfs/dbraw/zinc/47/83/84/822478384.db2.gz BRLBZHRSLSMXOL-RBBKRZOGSA-N 1 0 396.531 4.153 20 0 GIADRO Cc1cc2ncc([C@H](C)[NH2+]CCCc3cn(-c4ccccc4)nc3C)c(C)n2n1 ZINC000179411826 822478878 /nfs/dbraw/zinc/47/88/78/822478878.db2.gz GVXYGWVNQGVSQB-SFHVURJKSA-N 1 0 388.519 4.124 20 0 GIADRO CC(C)Oc1ccccc1NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000454458122 822478894 /nfs/dbraw/zinc/47/88/94/822478894.db2.gz FOTRVNNUIFMQLO-UHFFFAOYSA-N 1 0 387.446 4.354 20 0 GIADRO Cc1cc2ncc([C@@H](C)[NH2+][C@H](C)c3cnn(-c4ccc(F)cc4)c3C)c(C)n2n1 ZINC000179415382 822479482 /nfs/dbraw/zinc/47/94/82/822479482.db2.gz SEKINNROCXFATM-HUUCEWRRSA-N 1 0 392.482 4.391 20 0 GIADRO Cn1cc(C[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c(C(C)(C)C)n1 ZINC000179420795 822479934 /nfs/dbraw/zinc/47/99/34/822479934.db2.gz GJURAHWMFCMZKK-UHFFFAOYSA-N 1 0 391.441 4.212 20 0 GIADRO C[C@H]([NH2+]CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1nc2c(s1)CCCC2 ZINC000179426499 822480817 /nfs/dbraw/zinc/48/08/17/822480817.db2.gz RXRKNUTZFSHOKS-GJZGRUSLSA-N 1 0 379.570 4.320 20 0 GIADRO CSc1nnc(CCC[NH2+][C@@H](C)c2nc3c(s2)CCCC3)n1CC(C)C ZINC000179430269 822481535 /nfs/dbraw/zinc/48/15/35/822481535.db2.gz ZNTNJEMBZLWSOQ-AWEZNQCLSA-N 1 0 393.626 4.275 20 0 GIADRO FC(F)(F)c1cc(Br)ccc1C[NH2+]Cc1cccc2nccn21 ZINC000179431477 822481758 /nfs/dbraw/zinc/48/17/58/822481758.db2.gz PWOTYPYGBNQHLN-UHFFFAOYSA-N 1 0 384.199 4.405 20 0 GIADRO CN(C(=O)Nc1ccc(Cl)c(F)c1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000454489225 822483531 /nfs/dbraw/zinc/48/35/31/822483531.db2.gz XHUCJPTXOAMCQS-UHFFFAOYSA-N 1 0 381.801 4.360 20 0 GIADRO CCC(=O)Nc1ccc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)cc1 ZINC000454490994 822483874 /nfs/dbraw/zinc/48/38/74/822483874.db2.gz MPPKFTRMTGRNCO-GOSISDBHSA-N 1 0 394.519 4.021 20 0 GIADRO Cc1cccc(-c2n[nH]cc2C[N@H+]2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)c1 ZINC000179450078 822485012 /nfs/dbraw/zinc/48/50/12/822485012.db2.gz DDJNFANRHOFFNJ-QGZVFWFLSA-N 1 0 384.524 4.074 20 0 GIADRO CC[NH+](CC)CCn1c(NC(=O)c2cc3cc(F)ccc3[nH]2)nc2ccccc21 ZINC000046550549 822485024 /nfs/dbraw/zinc/48/50/24/822485024.db2.gz RVCLTJGUMGFKDO-UHFFFAOYSA-N 1 0 393.466 4.251 20 0 GIADRO CC[C@H](C)[NH+]1CCN(C(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)CC1 ZINC000454499493 822485549 /nfs/dbraw/zinc/48/55/49/822485549.db2.gz FNVGBYMBFQWINE-SFHVURJKSA-N 1 0 383.540 4.003 20 0 GIADRO COC1CC[NH+](C(C)(C)CNC(=O)N2CC3(CCCC3)[C@@H]2c2ccccc2)CC1 ZINC000454499836 822485727 /nfs/dbraw/zinc/48/57/27/822485727.db2.gz VMWNELJDGYAOIP-NRFANRHFSA-N 1 0 399.579 4.203 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CCc2coc(-c3ccc(F)cc3)n2)cc1NC(C)=O ZINC000179455544 822485713 /nfs/dbraw/zinc/48/57/13/822485713.db2.gz CONGFFRPIPZGHH-AWEZNQCLSA-N 1 0 397.450 4.341 20 0 GIADRO O=C(NCCCCC[NH+]1CCCC1)Nc1cccc(OCc2cccnc2)c1 ZINC000454504514 822486489 /nfs/dbraw/zinc/48/64/89/822486489.db2.gz OTHFUOFVMBATIJ-UHFFFAOYSA-N 1 0 382.508 4.048 20 0 GIADRO COc1cc(F)c([C@@H](C)[NH2+]CCC(=O)Nc2cccc(Cl)c2)cc1OC ZINC000183502378 822486897 /nfs/dbraw/zinc/48/68/97/822486897.db2.gz KZXIKTQBYHJZSP-GFCCVEGCSA-N 1 0 380.847 4.176 20 0 GIADRO COc1ccc([C@H](CNC(=O)CCc2ccc3[nH]ccc3c2)[NH+]2CCCC2)cc1 ZINC000183506330 822487434 /nfs/dbraw/zinc/48/74/34/822487434.db2.gz DQCRMFHFNCVDCQ-QHCPKHFHSA-N 1 0 391.515 4.062 20 0 GIADRO Cc1csc([C@H]([NH2+]Cc2ccc(I)cc2)C2CC2)n1 ZINC000183507428 822487632 /nfs/dbraw/zinc/48/76/32/822487632.db2.gz ZBULOMKLLBJFAW-CQSZACIVSA-N 1 0 384.286 4.297 20 0 GIADRO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccccc2OCC(F)(F)F)[C@@H]1c1ccccc1 ZINC000179479016 822488609 /nfs/dbraw/zinc/48/86/09/822488609.db2.gz ZYXJZIIVLBVBNQ-AEFFLSMTSA-N 1 0 393.409 4.195 20 0 GIADRO Cc1cccnc1[C@@H](NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1)C(C)C ZINC000454515846 822489051 /nfs/dbraw/zinc/48/90/51/822489051.db2.gz PAAILVVIPNYURI-KNQAVFIVSA-N 1 0 394.563 4.251 20 0 GIADRO CCO[C@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)C[C@H]1C ZINC000454517045 822489192 /nfs/dbraw/zinc/48/91/92/822489192.db2.gz WDKSHXFIDQKBGZ-KNQAVFIVSA-N 1 0 387.568 4.019 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)c2cccc(Br)c2Cl)c1 ZINC000183520293 822489280 /nfs/dbraw/zinc/48/92/80/822489280.db2.gz IEGRHRDOUQXGGV-UHFFFAOYSA-N 1 0 381.701 4.094 20 0 GIADRO C[C@H](NC(=O)N1CCC(CCC[NH+](C)C)CC1)c1ccc(Br)cc1 ZINC000179484640 822489563 /nfs/dbraw/zinc/48/95/63/822489563.db2.gz LZTAGUNHPWYEMJ-HNNXBMFYSA-N 1 0 396.373 4.274 20 0 GIADRO COCC[N@H+](Cc1csc(-c2ccc(OC)cc2OC)n1)C1CCCC1 ZINC000046600815 822490546 /nfs/dbraw/zinc/49/05/46/822490546.db2.gz CVHRRQMVQVRTLK-UHFFFAOYSA-N 1 0 376.522 4.218 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1)c1cccc(N2CCOC2=O)c1 ZINC000179494524 822490740 /nfs/dbraw/zinc/49/07/40/822490740.db2.gz JPVPDPNRGPEMKX-IWMITWMQSA-N 1 0 399.922 4.393 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)cc1 ZINC000046605604 822491160 /nfs/dbraw/zinc/49/11/60/822491160.db2.gz CEWMXWUTXKNKPE-UHFFFAOYSA-N 1 0 381.520 4.309 20 0 GIADRO C/C(=C\c1cccc(Cl)c1)C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000179499742 822491880 /nfs/dbraw/zinc/49/18/80/822491880.db2.gz IGKKAQCJSRFPRS-FYPAKXHLSA-N 1 0 383.923 4.480 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2F)C1)c1cccc(N2CCOC2=O)c1 ZINC000179500668 822492130 /nfs/dbraw/zinc/49/21/30/822492130.db2.gz LVBXWTAJQNPOJP-FUHWJXTLSA-N 1 0 383.467 4.102 20 0 GIADRO C[C@@H](NC(=O)Nc1ccc2[nH]c(C(F)F)nc2c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183540414 822492258 /nfs/dbraw/zinc/49/22/58/822492258.db2.gz BCWRDUHNYRZTCI-OLZOCXBDSA-N 1 0 391.466 4.275 20 0 GIADRO C[C@H](NC(=O)NCCCC[NH+]1CCC(C)CC1)c1ccc(OC(F)F)cc1 ZINC000046612951 822492559 /nfs/dbraw/zinc/49/25/59/822492559.db2.gz BGZQCOVLPUNASI-INIZCTEOSA-N 1 0 383.483 4.160 20 0 GIADRO C[C@H]([NH2+][C@H]1c2ccccc2CC[C@H]1C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000179505561 822492762 /nfs/dbraw/zinc/49/27/62/822492762.db2.gz MEGKFDBTNLKJJV-HYFFOGBASA-N 1 0 384.545 4.201 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)c1ccccc1O ZINC000183556203 822494377 /nfs/dbraw/zinc/49/43/77/822494377.db2.gz JNKCPHJYTFGPKK-YPMHNXCESA-N 1 0 385.817 4.389 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@H](C)Cn2ncc3ccccc3c2=O)c2ccccc12 ZINC000179515469 822494539 /nfs/dbraw/zinc/49/45/39/822494539.db2.gz JKXYSEYLOFHGOA-IAGOWNOFSA-N 1 0 387.483 4.298 20 0 GIADRO C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+][C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000179515254 822494562 /nfs/dbraw/zinc/49/45/62/822494562.db2.gz BOAURKIFUUJYJR-UWJYYQICSA-N 1 0 389.499 4.211 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1noc(-c2ccccc2)n1 ZINC000183562840 822495124 /nfs/dbraw/zinc/49/51/24/822495124.db2.gz CCIRVRYTHQFHBL-WBVHZDCISA-N 1 0 386.496 4.177 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(SC(=O)N(C)C)cc1)c1cccc(-n2cccn2)c1 ZINC000183571298 822496205 /nfs/dbraw/zinc/49/62/05/822496205.db2.gz KAZHXMHHKKSWJN-MRXNPFEDSA-N 1 0 380.517 4.497 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2oc3ccccc3c2C)c1 ZINC000183579199 822497026 /nfs/dbraw/zinc/49/70/26/822497026.db2.gz QIAZVWWCXOLCDC-HUUCEWRRSA-N 1 0 379.460 4.377 20 0 GIADRO CC(C)Oc1ccc([C@@H](C)[NH2+]Cc2nc(=O)c3c4c(sc3[nH]2)CCC4)cc1 ZINC000179528927 822497809 /nfs/dbraw/zinc/49/78/09/822497809.db2.gz MYVAJVAOUMALDP-CYBMUJFWSA-N 1 0 383.517 4.111 20 0 GIADRO COC(=O)COc1ccccc1[C@@H](C)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000183610832 822500973 /nfs/dbraw/zinc/50/09/73/822500973.db2.gz RSOBQSFRCKBRAA-MOPGFXCFSA-N 1 0 396.531 4.115 20 0 GIADRO CC(C)Oc1ccc([C@H](O)C[NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)cc1 ZINC000183611132 822501277 /nfs/dbraw/zinc/50/12/77/822501277.db2.gz YOAXUEMEQQANBO-PKTZIBPZSA-N 1 0 380.463 4.421 20 0 GIADRO Cc1c2ccccc2oc1[C@H](C)[NH2+][C@@H](C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000183614789 822501491 /nfs/dbraw/zinc/50/14/91/822501491.db2.gz HPSDZRIRDYSJHR-TXPKVOOTSA-N 1 0 378.472 4.420 20 0 GIADRO C[N@H+](CCCOc1ccccc1)CC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000046669659 822501588 /nfs/dbraw/zinc/50/15/88/822501588.db2.gz KGMYCNCOUZICPC-HSZRJFAPSA-N 1 0 394.540 4.355 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1cc2cc(Br)ccc2o1)c1cccs1 ZINC000046671208 822501770 /nfs/dbraw/zinc/50/17/70/822501770.db2.gz VKHUHEIRFZIJFX-ZDUSSCGKSA-N 1 0 393.306 4.290 20 0 GIADRO CC(C)(C)OC(=O)c1ccc(C[NH2+][C@@H](CN2CCCC2=O)c2ccccc2)cc1 ZINC000179552386 822502217 /nfs/dbraw/zinc/50/22/17/822502217.db2.gz KTJVTHWWUADBHR-NRFANRHFSA-N 1 0 394.515 4.095 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)N(C)Cc2c(F)cccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000454591390 822502506 /nfs/dbraw/zinc/50/25/06/822502506.db2.gz KDKGKQHCKHYPMT-AEFFLSMTSA-N 1 0 387.474 4.159 20 0 GIADRO CSc1ccc([C@@H](CNC(=O)Nc2cccc(N3CCCC3)c2)[NH+](C)C)cc1 ZINC000454595395 822503065 /nfs/dbraw/zinc/50/30/65/822503065.db2.gz BAOFFQYYSQFCOJ-OAQYLSRUSA-N 1 0 398.576 4.433 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)Cc1c(F)cccc1F ZINC000454597970 822503749 /nfs/dbraw/zinc/50/37/49/822503749.db2.gz CSPLYADWTZHBSZ-HRAATJIYSA-N 1 0 387.474 4.017 20 0 GIADRO COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000454601353 822504148 /nfs/dbraw/zinc/50/41/48/822504148.db2.gz SUUDVFBYAYXPDB-HNNXBMFYSA-N 1 0 387.455 4.008 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CSc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000454603217 822504333 /nfs/dbraw/zinc/50/43/33/822504333.db2.gz RLOZVSHLFIADDC-RLLQIKCJSA-N 1 0 395.572 4.228 20 0 GIADRO Cc1nc(C(F)(F)F)c(C[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)s1 ZINC000183643153 822505703 /nfs/dbraw/zinc/50/57/03/822505703.db2.gz UCVNWRWBTXULJL-LLVKDONJSA-N 1 0 383.439 4.448 20 0 GIADRO Cn1c(CC[NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)nc2cc(F)ccc21 ZINC000183647569 822505851 /nfs/dbraw/zinc/50/58/51/822505851.db2.gz UFEOKUSNEIOTER-UHFFFAOYSA-N 1 0 399.363 4.125 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N(C)[C@@H](C)c1ccc(F)cc1)c1cccc(OC(F)F)c1 ZINC000179576950 822506202 /nfs/dbraw/zinc/50/62/02/822506202.db2.gz CYOCEGHGSRQVMZ-KGLIPLIRSA-N 1 0 380.410 4.297 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@H]1CSc2ccccc21 ZINC000454619261 822507549 /nfs/dbraw/zinc/50/75/49/822507549.db2.gz NZJSBOVJZLKDOL-SLYNCCJLSA-N 1 0 395.572 4.086 20 0 GIADRO C[C@H]([NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1)c1ccc(-n2cnnn2)cc1 ZINC000179589029 822507941 /nfs/dbraw/zinc/50/79/41/822507941.db2.gz ZRLVHBMTBUFPON-YVEFUNNKSA-N 1 0 379.361 4.146 20 0 GIADRO Cc1cccc(C(C)(C)[NH2+]CC(=O)Nc2cc3c(cc2Cl)OCCCO3)c1 ZINC000179592370 822508623 /nfs/dbraw/zinc/50/86/23/822508623.db2.gz ZCFCLDRQZYKJLH-UHFFFAOYSA-N 1 0 388.895 4.273 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Cc1noc2ccccc12 ZINC000046715470 822508958 /nfs/dbraw/zinc/50/89/58/822508958.db2.gz QRIAOSLHFOEPNI-KRWDZBQOSA-N 1 0 377.488 4.061 20 0 GIADRO CSCC1CCC(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000454630815 822509505 /nfs/dbraw/zinc/50/95/05/822509505.db2.gz ZCQAPAOVJMQOLS-WYNBGMTASA-N 1 0 389.609 4.118 20 0 GIADRO CC1(C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)Cc2ccccc2C1 ZINC000179597478 822509729 /nfs/dbraw/zinc/50/97/29/822509729.db2.gz PBEFTWGEDDZQFB-UHFFFAOYSA-N 1 0 382.935 4.339 20 0 GIADRO Brc1ccc([C@H]([NH2+]CCCOC[C@@H]2CCCO2)c2ccco2)cc1 ZINC000183681442 822510475 /nfs/dbraw/zinc/51/04/75/822510475.db2.gz RBJQRUDLHUDUHZ-HKUYNNGSSA-N 1 0 394.309 4.307 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(C)cc2F)cc1 ZINC000183682321 822510495 /nfs/dbraw/zinc/51/04/95/822510495.db2.gz QKVDQGOUZDMJSA-HZPDHXFCSA-N 1 0 380.467 4.306 20 0 GIADRO C[C@H](Oc1ccccc1Cl)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000046729318 822510561 /nfs/dbraw/zinc/51/05/61/822510561.db2.gz MWYXAHLJTBNZAV-GOEBONIOSA-N 1 0 378.925 4.122 20 0 GIADRO CC1CC[NH+](CCCCNC(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)CC1 ZINC000046735874 822511337 /nfs/dbraw/zinc/51/13/37/822511337.db2.gz VBVJDLKKEPOWOO-LJQANCHMSA-N 1 0 398.551 4.229 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1OC(F)F)c1ccc(OC(F)F)cc1 ZINC000179605738 822511629 /nfs/dbraw/zinc/51/16/29/822511629.db2.gz HBQKGJWLBNVXDE-LLVKDONJSA-N 1 0 386.345 4.179 20 0 GIADRO Cc1c(NC(=O)NC(C)(C)C[NH+]2CCCC2)cccc1C(=O)Nc1ccccc1 ZINC000454649934 822512063 /nfs/dbraw/zinc/51/20/63/822512063.db2.gz LYJHXCURAXKOKD-UHFFFAOYSA-N 1 0 394.519 4.243 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1cccc2c1N=S=N2)c1ccc(OC(F)F)cc1 ZINC000179611758 822512662 /nfs/dbraw/zinc/51/26/62/822512662.db2.gz AEPJGVQVRFNWBM-SNVBAGLBSA-N 1 0 378.404 4.304 20 0 GIADRO CCN(C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)[C@@H](C)c1cccc(OC)c1 ZINC000046752279 822513049 /nfs/dbraw/zinc/51/30/49/822513049.db2.gz SSNKQJILCGFQCI-OALUTQOASA-N 1 0 375.557 4.300 20 0 GIADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000046752915 822513340 /nfs/dbraw/zinc/51/33/40/822513340.db2.gz UMIDILKZTDWBPX-MRXNPFEDSA-N 1 0 396.373 4.103 20 0 GIADRO O=C1CCCCN1C1CC[NH+]([C@H]2CCCc3ccc(Br)cc32)CC1 ZINC000179618087 822513785 /nfs/dbraw/zinc/51/37/85/822513785.db2.gz XJJVAJUHTNICEM-IBGZPJMESA-N 1 0 391.353 4.303 20 0 GIADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)Nc3ccc(OCc4ccccc4F)cc3)C2)C1 ZINC000454669182 822515048 /nfs/dbraw/zinc/51/50/48/822515048.db2.gz YFFBRBCXZFPKNV-QHCPKHFHSA-N 1 0 397.494 4.354 20 0 GIADRO Cc1cc(NCc2cncc(Br)c2)ccc1OCC[NH+]1CCCC1 ZINC000183714120 822515534 /nfs/dbraw/zinc/51/55/34/822515534.db2.gz CDHVYKCVFCZANX-UHFFFAOYSA-N 1 0 390.325 4.239 20 0 GIADRO COc1cc(C)c([C@@H](C)[NH2+]CCCc2nc(-c3ccccc3)no2)cc1OC ZINC000179628255 822515670 /nfs/dbraw/zinc/51/56/70/822515670.db2.gz COKHSRIRYXYMNQ-MRXNPFEDSA-N 1 0 381.476 4.346 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]C[C@@H](O)COCc1cccs1 ZINC000183714842 822515743 /nfs/dbraw/zinc/51/57/43/822515743.db2.gz UFIHWMFDHKPVNX-RHSMWYFYSA-N 1 0 388.558 4.408 20 0 GIADRO C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000179629806 822515989 /nfs/dbraw/zinc/51/59/89/822515989.db2.gz URBSYYRKFOEAFJ-GJZGRUSLSA-N 1 0 384.351 4.052 20 0 GIADRO CCOc1ccc(OCC(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000046780558 822516570 /nfs/dbraw/zinc/51/65/70/822516570.db2.gz OEVOKLDDHATZQP-LJQANCHMSA-N 1 0 396.531 4.012 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CC(=O)N1CCc2ccccc2C1 ZINC000183722404 822516772 /nfs/dbraw/zinc/51/67/72/822516772.db2.gz RAQZOGKIDFRCMX-INIZCTEOSA-N 1 0 391.540 4.354 20 0 GIADRO COc1ccc(NC(=O)C[NH2+][C@H](C)c2sc(-c3ccccc3)nc2C)cc1 ZINC000183725790 822517334 /nfs/dbraw/zinc/51/73/34/822517334.db2.gz NYZVOJCOUPHAKC-CQSZACIVSA-N 1 0 381.501 4.416 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)Nc2cccc(-c3ccc4c(c3)CCO4)c2)CC[N@@H+]1C ZINC000179637847 822517503 /nfs/dbraw/zinc/51/75/03/822517503.db2.gz WSGUPOCUKAQKIU-KKSFZXQISA-N 1 0 379.504 4.235 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(N2CCOC2=O)cc1)c1cc(Br)ccc1F ZINC000183736865 822519400 /nfs/dbraw/zinc/51/94/00/822519400.db2.gz ALGYKOVIIOSXFS-GFCCVEGCSA-N 1 0 393.256 4.396 20 0 GIADRO Cc1cccc([C@@H](C)[NH2+]CC(=O)N[C@@H](c2nccs2)c2ccccc2)c1C ZINC000183740204 822520206 /nfs/dbraw/zinc/52/02/06/822520206.db2.gz QYTJSYNTRFZUKP-DYESRHJHSA-N 1 0 379.529 4.316 20 0 GIADRO COc1ccc(C(=O)C2CC[NH+](Cc3cn(C)nc3-c3cccs3)CC2)cc1 ZINC000179653978 822520865 /nfs/dbraw/zinc/52/08/65/822520865.db2.gz OFNZEEKGGITFSZ-UHFFFAOYSA-N 1 0 395.528 4.252 20 0 GIADRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000046817768 822520946 /nfs/dbraw/zinc/52/09/46/822520946.db2.gz BBCRFGWJGMHCLV-STQMWFEESA-N 1 0 382.382 4.272 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000183745061 822521010 /nfs/dbraw/zinc/52/10/10/822521010.db2.gz XMAHVXMREHQIQZ-SCLBCKFNSA-N 1 0 383.473 4.411 20 0 GIADRO CCC[C@H]1CN(C(=O)CCc2c(C)noc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000179654590 822521063 /nfs/dbraw/zinc/52/10/63/822521063.db2.gz CABQPASPZZKEHV-SFHVURJKSA-N 1 0 389.927 4.082 20 0 GIADRO C[C@H](C1CC1)N(C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C1CC1 ZINC000179654882 822521317 /nfs/dbraw/zinc/52/13/17/822521317.db2.gz XCVYEUWGPSFXPI-OWDMVUQNSA-N 1 0 393.934 4.444 20 0 GIADRO CCCc1ncc(CNC(=O)NCC2(CC)CC[NH+](Cc3ccccc3)CC2)o1 ZINC000454716624 822522554 /nfs/dbraw/zinc/52/25/54/822522554.db2.gz QHRZVJWTHCBTHF-UHFFFAOYSA-N 1 0 398.551 4.119 20 0 GIADRO Cc1ccc([C@H](C[NH2+][C@@H](c2ccco2)c2ccccc2)N2CCOCC2)s1 ZINC000183754332 822522644 /nfs/dbraw/zinc/52/26/44/822522644.db2.gz LIAOKPZPBROUCR-SIKLNZKXSA-N 1 0 382.529 4.402 20 0 GIADRO O=C(CCC[NH2+][C@H](c1ccccc1)c1ccc(F)cn1)N1Cc2ccccc2C1 ZINC000183756980 822523195 /nfs/dbraw/zinc/52/31/95/822523195.db2.gz GENRXDQRDAUFCX-XMMPIXPASA-N 1 0 389.474 4.222 20 0 GIADRO CC[C@H]1CCCC[C@@H]1OCC(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000183757766 822523223 /nfs/dbraw/zinc/52/32/23/822523223.db2.gz YXIAMNLHJIJIFD-AVRDEDQJSA-N 1 0 387.568 4.141 20 0 GIADRO O=C(CC[NH2+]C1(c2cccc(Cl)c2)CC1)Nc1ccc(N2CCCC2=O)cc1 ZINC000179670959 822523795 /nfs/dbraw/zinc/52/37/95/822523795.db2.gz LBVIMMPMELLMKA-UHFFFAOYSA-N 1 0 397.906 4.074 20 0 GIADRO Fc1cc([C@@H]2OCC[C@@H]2[NH2+]Cc2cncc(Br)c2)ccc1Cl ZINC000183761448 822524043 /nfs/dbraw/zinc/52/40/43/822524043.db2.gz BQABWGZVJHQOGJ-HOTGVXAUSA-N 1 0 385.664 4.256 20 0 GIADRO Fc1ccc(N2CC[C@@H]([NH2+]Cc3cncc(Br)c3)C2)cc1Cl ZINC000183764332 822524698 /nfs/dbraw/zinc/52/46/98/822524698.db2.gz MIXUYOWXAWSFGQ-CYBMUJFWSA-N 1 0 384.680 4.005 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)c2cccc(OC[C@H]3CCCO3)c2)c1 ZINC000046864084 822525144 /nfs/dbraw/zinc/52/51/44/822525144.db2.gz ZHNKTVMPTOQTII-JOCHJYFZSA-N 1 0 382.504 4.339 20 0 GIADRO O=C(C[NH2+]C1(c2cccc(Cl)c2)CC1)N[C@H](c1nccs1)c1ccccc1 ZINC000179680078 822525822 /nfs/dbraw/zinc/52/58/22/822525822.db2.gz IMNOHGQJPNVIPX-IBGZPJMESA-N 1 0 397.931 4.281 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(F)c(F)c1)c1cccc(OCc2ccccn2)c1 ZINC000179686923 822527336 /nfs/dbraw/zinc/52/73/36/822527336.db2.gz ZAMFQTUJSOAYCC-IVZQSRNASA-N 1 0 384.426 4.323 20 0 GIADRO CC(C)Oc1ccc2ccccc2c1CNC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000183782300 822527671 /nfs/dbraw/zinc/52/76/71/822527671.db2.gz PENNQDWCTSBDQL-UHFFFAOYSA-N 1 0 381.520 4.053 20 0 GIADRO C[C@@H]([NH2+]CC(=O)NCCC1=CCCCC1)c1cccc(OCc2ccccn2)c1 ZINC000179692455 822528434 /nfs/dbraw/zinc/52/84/34/822528434.db2.gz MINAZENEBZXBGR-LJQANCHMSA-N 1 0 393.531 4.318 20 0 GIADRO CCC1(CC)CN(C(=O)Nc2cccc(NC(=O)CC[NH+]3CCCCC3)c2)C1 ZINC000454753907 822528528 /nfs/dbraw/zinc/52/85/28/822528528.db2.gz GCHPCQYEZLLRCB-UHFFFAOYSA-N 1 0 386.540 4.155 20 0 GIADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)c1csc(-c2cccs2)n1 ZINC000046917967 822530516 /nfs/dbraw/zinc/53/05/16/822530516.db2.gz FNDJKTOJRWMVDX-UHFFFAOYSA-N 1 0 385.558 4.118 20 0 GIADRO C[C@H]1CCCC[C@@H]1C[NH2+]Cc1cccnc1Oc1cccc(S(C)(=O)=O)c1 ZINC000183814538 822531070 /nfs/dbraw/zinc/53/10/70/822531070.db2.gz XRDZXMZCXZUTAA-DLBZAZTESA-N 1 0 388.533 4.193 20 0 GIADRO COc1cc([C@@H](C)[NH2+]CCN2CCC(C)CC2)ccc1OCc1ccncc1 ZINC000179705492 822531492 /nfs/dbraw/zinc/53/14/92/822531492.db2.gz XFDLOUIMJILSRS-LJQANCHMSA-N 1 0 383.536 4.052 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)c1 ZINC000046926558 822531722 /nfs/dbraw/zinc/53/17/22/822531722.db2.gz BPFRXQUAARTXFI-LJQANCHMSA-N 1 0 394.544 4.405 20 0 GIADRO CC1([C@@H]2CCC[N@H+](Cc3csc(-c4ccc(Cl)cc4)n3)C2)OCCO1 ZINC000183820140 822531818 /nfs/dbraw/zinc/53/18/18/822531818.db2.gz YUGSHMLTBXRABC-OAHLLOKOSA-N 1 0 378.925 4.439 20 0 GIADRO Brc1ccc([C@H]([NH2+]CCCOC[C@H]2CCOC2)c2ccco2)cc1 ZINC000183821807 822532080 /nfs/dbraw/zinc/53/20/80/822532080.db2.gz VANNOULFGPGGOD-BEFAXECRSA-N 1 0 394.309 4.164 20 0 GIADRO COc1cccc(C[NH2+]Cc2cc3cc(Br)ccc3[nH]2)c1OC ZINC000183822471 822532372 /nfs/dbraw/zinc/53/23/72/822532372.db2.gz VTVNGFDVIRGXJH-UHFFFAOYSA-N 1 0 375.266 4.237 20 0 GIADRO COc1cccc(COCC(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000046935119 822532911 /nfs/dbraw/zinc/53/29/11/822532911.db2.gz QPSPVMRSYYSJMX-GOSISDBHSA-N 1 0 382.504 4.082 20 0 GIADRO C[C@@H](CNC(=O)CCc1ncc(-c2ccccc2Cl)o1)[N@@H+]1CCC[C@H](C)C1 ZINC000046952424 822533764 /nfs/dbraw/zinc/53/37/64/822533764.db2.gz YUVQQTLYJYJIHB-HOTGVXAUSA-N 1 0 389.927 4.164 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)C(=O)NCCc1cccs1)c1ccccc1OC(F)F ZINC000179717802 822534284 /nfs/dbraw/zinc/53/42/84/822534284.db2.gz IMIGHAWKLRDBJM-BBRMVZONSA-N 1 0 382.476 4.138 20 0 GIADRO C[C@@H]1CCN(C(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)c2ccccc21 ZINC000179718004 822534326 /nfs/dbraw/zinc/53/43/26/822534326.db2.gz CQXGYRLUFWDWGZ-GOSISDBHSA-N 1 0 378.516 4.045 20 0 GIADRO CC[C@@H]([NH2+]CC(=O)N[C@H](C)c1ccccc1OC)c1ccccc1OC(F)F ZINC000179722424 822535345 /nfs/dbraw/zinc/53/53/45/822535345.db2.gz PGYINJNBPMTQOF-RHSMWYFYSA-N 1 0 392.446 4.215 20 0 GIADRO Cc1noc(C)c1COc1cccc(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)c1 ZINC000046988746 822536004 /nfs/dbraw/zinc/53/60/04/822536004.db2.gz LXMVVTRRGSZGBV-QGZVFWFLSA-N 1 0 399.535 4.255 20 0 GIADRO C[C@H](NC(=O)C[NH2+][C@H](CCCO)c1ccccc1)c1ccc(Cl)cc1Cl ZINC000179732950 822537771 /nfs/dbraw/zinc/53/77/71/822537771.db2.gz JVTAOKMCOMALTD-IFXJQAMLSA-N 1 0 395.330 4.274 20 0 GIADRO CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](Cc2cnc(-c3cccs3)s2)C1 ZINC000179740315 822540078 /nfs/dbraw/zinc/54/00/78/822540078.db2.gz PLVLOKUUMGPLQR-CYBMUJFWSA-N 1 0 379.551 4.218 20 0 GIADRO CCn1c(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)nc2c1cccc2F ZINC000179741470 822540511 /nfs/dbraw/zinc/54/05/11/822540511.db2.gz CTAHQGSQCRXAAO-NRFANRHFSA-N 1 0 381.451 4.207 20 0 GIADRO COC(=O)COc1ccccc1[C@H](C)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000183886288 822540621 /nfs/dbraw/zinc/54/06/21/822540621.db2.gz NHQNDKZKBFZTFC-SFHVURJKSA-N 1 0 382.504 4.397 20 0 GIADRO Cc1ccc2c(C[NH2+][C@@H](c3ccc4c(c3)OCCO4)C3CC3)cc(=O)oc2c1 ZINC000179742727 822541003 /nfs/dbraw/zinc/54/10/03/822541003.db2.gz FYWUXEDLPWZAQZ-HSZRJFAPSA-N 1 0 377.440 4.114 20 0 GIADRO COc1cc(C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)ccc1OC(C)C ZINC000179744147 822541227 /nfs/dbraw/zinc/54/12/27/822541227.db2.gz QHBZNHWGFDDJHJ-UHFFFAOYSA-N 1 0 382.504 4.333 20 0 GIADRO c1ccc(-c2noc(CCC[NH2+][C@@H](c3ccc4c(c3)OCCO4)C3CC3)n2)cc1 ZINC000179744884 822541474 /nfs/dbraw/zinc/54/14/74/822541474.db2.gz SKQFHYWJKFXNSK-JOCHJYFZSA-N 1 0 391.471 4.181 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1ccc(F)c(F)c1F)c1cccc(C(F)(F)F)c1 ZINC000183898953 822542685 /nfs/dbraw/zinc/54/26/85/822542685.db2.gz INMZWAVAMKQZLY-AWEZNQCLSA-N 1 0 390.327 4.155 20 0 GIADRO COc1ccccc1COC1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000179751861 822542855 /nfs/dbraw/zinc/54/28/55/822542855.db2.gz JWEBIYMAAPVBMR-UHFFFAOYSA-N 1 0 377.488 4.062 20 0 GIADRO CN1CC[NH+](CCC(C)(C)NC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000183901488 822543197 /nfs/dbraw/zinc/54/31/97/822543197.db2.gz NQTYOYPGGQJJKU-UHFFFAOYSA-N 1 0 396.535 4.017 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N1CCC[C@@H]1c1cccc(Cl)c1 ZINC000179753610 822543311 /nfs/dbraw/zinc/54/33/11/822543311.db2.gz RLKAAITZYZZIRI-OAQYLSRUSA-N 1 0 398.938 4.498 20 0 GIADRO CC(=O)Nc1cc(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)ccc1C ZINC000047108139 822544770 /nfs/dbraw/zinc/54/47/70/822544770.db2.gz ZQFIEKOMXTVHAZ-OAQYLSRUSA-N 1 0 399.922 4.174 20 0 GIADRO C[C@@H]1CN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC[C@H]1c1ccccc1 ZINC000179759259 822544820 /nfs/dbraw/zinc/54/48/20/822544820.db2.gz XIKDHLXMNJQBDM-AUSIDOKSSA-N 1 0 392.547 4.133 20 0 GIADRO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179760144 822545109 /nfs/dbraw/zinc/54/51/09/822545109.db2.gz RFGYFQYQMUAOLE-KRWDZBQOSA-N 1 0 392.503 4.447 20 0 GIADRO COc1ccc(CNC(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)cc1O ZINC000047116423 822545263 /nfs/dbraw/zinc/54/52/63/822545263.db2.gz BQJADBIDVGMQIA-UHFFFAOYSA-N 1 0 397.519 4.487 20 0 GIADRO O=C(N[C@@H](c1ccccc1)c1ccc(F)cc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000047118078 822545453 /nfs/dbraw/zinc/54/54/53/822545453.db2.gz RXCODBQHNASSOB-QHCPKHFHSA-N 1 0 395.522 4.433 20 0 GIADRO O=C(C[NH2+][C@H](CCCO)c1ccccc1)Nc1ccccc1Cc1ccccc1 ZINC000179761394 822545594 /nfs/dbraw/zinc/54/55/94/822545594.db2.gz RAMVMCYFCYRALC-HSZRJFAPSA-N 1 0 388.511 4.319 20 0 GIADRO CC(C)CNC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)c1 ZINC000179761852 822545868 /nfs/dbraw/zinc/54/58/68/822545868.db2.gz UYKFOISKDZDKAD-KRWDZBQOSA-N 1 0 393.531 4.272 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1cccc2ccccc21)c1ccc(NC(=O)C2CC2)cc1 ZINC000179766225 822547602 /nfs/dbraw/zinc/54/76/02/822547602.db2.gz LNPUHIUCAMVXOO-INIZCTEOSA-N 1 0 387.483 4.478 20 0 GIADRO Cc1cc(Cl)ccc1NC(=O)C[NH2+][C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000179765906 822547694 /nfs/dbraw/zinc/54/76/94/822547694.db2.gz KWQQXKISXHQUDZ-CQSZACIVSA-N 1 0 385.895 4.286 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000454864125 822548327 /nfs/dbraw/zinc/54/83/27/822548327.db2.gz NTPSMJGYMHFIIB-LEWJYISDSA-N 1 0 386.898 4.363 20 0 GIADRO Cc1cccc(NC(=O)[C@@H](C)[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)c1C ZINC000179768348 822548424 /nfs/dbraw/zinc/54/84/24/822548424.db2.gz WCOWABWDPAHHGB-ZHRRBRCNSA-N 1 0 380.488 4.143 20 0 GIADRO C[C@H](CCCC(F)(F)F)NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000454868824 822548707 /nfs/dbraw/zinc/54/87/07/822548707.db2.gz YLTLNLBCSBCFDU-IAGOWNOFSA-N 1 0 385.474 4.271 20 0 GIADRO CCc1nc2ccccc2n1CC(=O)Nc1cccc2c1C[N@H+](CC(C)C)C2 ZINC000179769299 822548964 /nfs/dbraw/zinc/54/89/64/822548964.db2.gz KTZZSOAMZOKXRN-UHFFFAOYSA-N 1 0 376.504 4.209 20 0 GIADRO Cn1cc(C[NH+]2CCC(c3c[nH]c4ncccc34)CC2)c(-c2cccs2)n1 ZINC000179770169 822549161 /nfs/dbraw/zinc/54/91/61/822549161.db2.gz UAELWIKADSUMMA-UHFFFAOYSA-N 1 0 377.517 4.405 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ncccc1C(F)(F)F ZINC000179779577 822551250 /nfs/dbraw/zinc/55/12/50/822551250.db2.gz OFXALDULUOQLAC-UHFFFAOYSA-N 1 0 397.828 4.148 20 0 GIADRO C[C@H](NC(=O)C[NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1)c1ccccc1Cl ZINC000179779292 822551274 /nfs/dbraw/zinc/55/12/74/822551274.db2.gz GCXYXCPXEUQUJO-GJZGRUSLSA-N 1 0 399.922 4.217 20 0 GIADRO CCn1c(C[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)nc2c1cccc2F ZINC000179782044 822551910 /nfs/dbraw/zinc/55/19/10/822551910.db2.gz NYXFFKKKFSYGSG-AWEZNQCLSA-N 1 0 380.467 4.395 20 0 GIADRO COC1CCN(c2ccc(N[C@@H]3CC[N@H+](C)[C@@H](C)C3)cc2C(F)(F)F)CC1 ZINC000179782833 822551974 /nfs/dbraw/zinc/55/19/74/822551974.db2.gz UDHYIZQBHYRXOO-GOEBONIOSA-N 1 0 385.474 4.215 20 0 GIADRO CCCCCOc1ccc([C@H](C)[NH2+]Cc2cc(=O)n3ccccc3n2)cc1OC ZINC000179784854 822552366 /nfs/dbraw/zinc/55/23/66/822552366.db2.gz YLLLIEWWJHLHRD-KRWDZBQOSA-N 1 0 395.503 4.123 20 0 GIADRO C[C@H]1CCC[N@H+](CCCCNC(=O)CCCc2ncc(-c3ccccc3)o2)C1 ZINC000047187854 822552590 /nfs/dbraw/zinc/55/25/90/822552590.db2.gz RFTRRCAZTLDCMR-IBGZPJMESA-N 1 0 383.536 4.293 20 0 GIADRO Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@H](Cc1ccc(Cl)cc1)C1CCCCC1 ZINC000179799976 822555205 /nfs/dbraw/zinc/55/52/05/822555205.db2.gz UANQKJWHKJUHTC-LJQANCHMSA-N 1 0 388.943 4.400 20 0 GIADRO CSc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)cc1 ZINC000047262423 822559984 /nfs/dbraw/zinc/55/99/84/822559984.db2.gz ZJFIWGYOHBSHBM-UHFFFAOYSA-N 1 0 375.925 4.308 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(OCC(F)(F)F)cc2)CC1)c1ccccc1 ZINC000047265497 822559999 /nfs/dbraw/zinc/55/99/99/822559999.db2.gz QDMHBVSBMHIBNF-UHFFFAOYSA-N 1 0 392.421 4.022 20 0 GIADRO COc1cc(F)c(NC(=O)NC[C@H](c2ccc(SC)cc2)[NH+](C)C)cc1F ZINC000454939430 822560226 /nfs/dbraw/zinc/56/02/26/822560226.db2.gz HJLMWYLMYPODMR-QGZVFWFLSA-N 1 0 395.475 4.120 20 0 GIADRO C[N@H+](CCCCNC(=O)Nc1ccc2nc(Cc3ccccc3)oc2c1)C1CC1 ZINC000454943397 822561127 /nfs/dbraw/zinc/56/11/27/822561127.db2.gz LURPCBZJRVRTJA-UHFFFAOYSA-N 1 0 392.503 4.415 20 0 GIADRO CC1CC[NH+](Cc2ccc(CNC(=O)c3ncccc3C(F)(F)F)cc2)CC1 ZINC000179835716 822563004 /nfs/dbraw/zinc/56/30/04/822563004.db2.gz PWAOGFOKNDOCCQ-UHFFFAOYSA-N 1 0 391.437 4.262 20 0 GIADRO CSC1(CNC(=O)N2CC3(CCCC3)[C@H]2c2ccccc2)CC[NH+](C)CC1 ZINC000454970500 822564690 /nfs/dbraw/zinc/56/46/90/822564690.db2.gz KAKXPMYWRHOVNT-LJQANCHMSA-N 1 0 387.593 4.141 20 0 GIADRO C[C@H]1CN(C(=O)Nc2cccc(OCCF)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000454971840 822564980 /nfs/dbraw/zinc/56/49/80/822564980.db2.gz WLCDLXBDDGTAMM-GOSISDBHSA-N 1 0 385.483 4.021 20 0 GIADRO Cc1sc(NC(=O)C[NH2+][C@H](C)C2CCOCC2)nc1-c1ccc(Cl)cc1 ZINC000179858150 822567448 /nfs/dbraw/zinc/56/74/48/822567448.db2.gz MBEKMKZFYNMCBQ-GFCCVEGCSA-N 1 0 393.940 4.115 20 0 GIADRO CC(=O)N(c1nc(C[NH2+][C@@H](C)C2CCOCC2)cs1)c1cccc(C)c1C ZINC000179866643 822568564 /nfs/dbraw/zinc/56/85/64/822568564.db2.gz QODWRDWBGXLTSF-INIZCTEOSA-N 1 0 387.549 4.349 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(Oc2cccc(Cl)c2)cc1)C1CCOCC1 ZINC000179870833 822569168 /nfs/dbraw/zinc/56/91/68/822569168.db2.gz WXBQLNMFKOHDGY-OAHLLOKOSA-N 1 0 388.895 4.476 20 0 GIADRO COc1ccc([C@@H](C)C[NH+]2CCC(C(=O)N3CCc4ccccc43)CC2)cc1 ZINC000179873120 822569318 /nfs/dbraw/zinc/56/93/18/822569318.db2.gz BJDBHERJPASHEI-SFHVURJKSA-N 1 0 378.516 4.100 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)N(C)[C@H](C)c2ccccc2F)CC1 ZINC000047380141 822572902 /nfs/dbraw/zinc/57/29/02/822572902.db2.gz NTDDEOMLLAVLBA-QGZVFWFLSA-N 1 0 384.499 4.193 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)N(C)[C@@H](C)c2ccccc2F)CC1 ZINC000047380140 822572915 /nfs/dbraw/zinc/57/29/15/822572915.db2.gz NTDDEOMLLAVLBA-KRWDZBQOSA-N 1 0 384.499 4.193 20 0 GIADRO Cc1ncc(-c2ccccc2)cc1NC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000455023295 822573068 /nfs/dbraw/zinc/57/30/68/822573068.db2.gz LDLCJLHICOKHCI-KRWDZBQOSA-N 1 0 378.520 4.395 20 0 GIADRO Cc1ncc(-c2ccccc2)cc1NC(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000455023296 822573073 /nfs/dbraw/zinc/57/30/73/822573073.db2.gz LDLCJLHICOKHCI-QGZVFWFLSA-N 1 0 378.520 4.395 20 0 GIADRO CN(C(=O)Nc1cccc(-c2ncco2)c1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000455026039 822573761 /nfs/dbraw/zinc/57/37/61/822573761.db2.gz YFBWQQLCFZEMGU-UHFFFAOYSA-N 1 0 396.413 4.222 20 0 GIADRO CC(=O)c1ccc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)cc1C ZINC000455026341 822573973 /nfs/dbraw/zinc/57/39/73/822573973.db2.gz RQLXVOVDVGBBQV-KRWDZBQOSA-N 1 0 379.504 4.183 20 0 GIADRO C[NH+]1CCN(c2ccccc2NC(=O)N2CCC[C@@H]2CCc2ccccc2)CC1 ZINC000047392995 822574086 /nfs/dbraw/zinc/57/40/86/822574086.db2.gz QYIGCBOLABTUDS-OAQYLSRUSA-N 1 0 392.547 4.068 20 0 GIADRO C[C@H](c1ccccc1Cl)N(C)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000047393040 822574104 /nfs/dbraw/zinc/57/41/04/822574104.db2.gz GCDSNMHZPPCHLQ-MRXNPFEDSA-N 1 0 386.927 4.317 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)CC1 ZINC000184081790 822575188 /nfs/dbraw/zinc/57/51/88/822575188.db2.gz LQRYHFVFYNGGKZ-ZWKOTPCHSA-N 1 0 378.507 4.429 20 0 GIADRO Cc1cc(N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)ccc1OC1CCOCC1 ZINC000179911627 822575370 /nfs/dbraw/zinc/57/53/70/822575370.db2.gz TXVSUXXNQDPSIK-WMZHIEFXSA-N 1 0 395.547 4.270 20 0 GIADRO CC[C@H]([NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1)c1cnn(C)c1 ZINC000184083964 822575679 /nfs/dbraw/zinc/57/56/79/822575679.db2.gz FRRKXFGNETVGKO-IBGZPJMESA-N 1 0 381.351 4.432 20 0 GIADRO O=C(NCCCCC[NH+]1CCCC1)N1CCC(c2c(F)cccc2F)CC1 ZINC000455038415 822577478 /nfs/dbraw/zinc/57/74/78/822577478.db2.gz SOAKNIINRLCWDJ-UHFFFAOYSA-N 1 0 379.495 4.120 20 0 GIADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2cccc(NC(=O)c3cccs3)c2)C1 ZINC000047416551 822577565 /nfs/dbraw/zinc/57/75/65/822577565.db2.gz MCMRMTCNLRBJBM-IAGOWNOFSA-N 1 0 399.560 4.098 20 0 GIADRO CCn1cc(Br)cc1C(=O)N1CCC(CCC[NH+](CC)CC)CC1 ZINC000184105991 822578909 /nfs/dbraw/zinc/57/89/09/822578909.db2.gz PXCFKQDIVVDOKD-UHFFFAOYSA-N 1 0 398.389 4.245 20 0 GIADRO Cc1csc([C@H](C)C[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)n1 ZINC000184113107 822580058 /nfs/dbraw/zinc/58/00/58/822580058.db2.gz STQPTLFNQUEEHC-LLVKDONJSA-N 1 0 391.338 4.497 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)c2cccc(NC(=O)c3cccs3)c2)c1 ZINC000047453530 822580899 /nfs/dbraw/zinc/58/08/99/822580899.db2.gz LNRGLGQOLQVPOC-UHFFFAOYSA-N 1 0 379.485 4.314 20 0 GIADRO C[NH+](C)CC[C@H](NC(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1)C(C)(C)C ZINC000179939861 822581237 /nfs/dbraw/zinc/58/12/37/822581237.db2.gz KUSLPJPDYDTELU-SFHVURJKSA-N 1 0 391.556 4.059 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)c2nccnc2-c2nc3ccccc3s2)c1 ZINC000047460264 822581421 /nfs/dbraw/zinc/58/14/21/822581421.db2.gz HVDOQEMDDQGYJE-UHFFFAOYSA-N 1 0 389.484 4.067 20 0 GIADRO CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2ccc(OC)c3ccccc32)cc1 ZINC000179941254 822581653 /nfs/dbraw/zinc/58/16/53/822581653.db2.gz RRGZKHOYHDOHNA-MRXNPFEDSA-N 1 0 383.513 4.493 20 0 GIADRO C[C@H](Nc1ccc(N2CCOC[C@H]2C)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000179944009 822582453 /nfs/dbraw/zinc/58/24/53/822582453.db2.gz PPUWKDPRRVZPPT-MOPGFXCFSA-N 1 0 383.536 4.025 20 0 GIADRO CC1CC[NH+](CCc2cccc(NC(=O)N3CCOC[C@H](C4CCC4)C3)c2)CC1 ZINC000455063784 822583100 /nfs/dbraw/zinc/58/31/00/822583100.db2.gz SXAKZHVVVMNHMK-JOCHJYFZSA-N 1 0 399.579 4.241 20 0 GIADRO CC[C@H]([NH2+]Cc1ccc(S(=O)(=O)CC)cc1)c1ccc(OC(F)F)cc1 ZINC000179949024 822583781 /nfs/dbraw/zinc/58/37/81/822583781.db2.gz RMORXGDVBSJFCR-SFHVURJKSA-N 1 0 383.460 4.323 20 0 GIADRO Cn1cc([C@H](NC[C@H](c2cccs2)[NH+]2CCCC2)c2cccc(F)c2)cn1 ZINC000179961087 822586053 /nfs/dbraw/zinc/58/60/53/822586053.db2.gz NXRHUXKCWDLPTQ-TZIWHRDSSA-N 1 0 384.524 4.137 20 0 GIADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)Nc3cc(F)c(OC(C)(C)C)c(F)c3)C2)C1 ZINC000455099631 822588712 /nfs/dbraw/zinc/58/87/12/822588712.db2.gz GKIVZKUWKJIULL-HXUWFJFHSA-N 1 0 381.467 4.092 20 0 GIADRO CC(C)(C)Oc1c(F)cc(NC(=O)NC2CC[NH+](C3CCC3)CC2)cc1F ZINC000455100477 822588922 /nfs/dbraw/zinc/58/89/22/822588922.db2.gz GVLVNQFGDSRECQ-UHFFFAOYSA-N 1 0 381.467 4.281 20 0 GIADRO C[NH+]1CCC([C@@H]2CCN(C(=O)Nc3ccc(Oc4ccccc4)cn3)C2)CC1 ZINC000455105999 822589598 /nfs/dbraw/zinc/58/95/98/822589598.db2.gz DFXBRAHVIFUUQE-GOSISDBHSA-N 1 0 380.492 4.070 20 0 GIADRO O=C(NCCCCC[NH+]1CCCC1)N(Cc1ccco1)Cc1cccs1 ZINC000455115666 822591102 /nfs/dbraw/zinc/59/11/02/822591102.db2.gz MKCMONOSMQXKLD-UHFFFAOYSA-N 1 0 375.538 4.319 20 0 GIADRO C[C@H]1CN(C(=O)Nc2cc(F)c(OC(C)(C)C)c(F)c2)CC[N@@H+](C2CCC2)C1 ZINC000455117179 822591312 /nfs/dbraw/zinc/59/13/12/822591312.db2.gz ZKQWFMPCKWPEKM-CQSZACIVSA-N 1 0 395.494 4.480 20 0 GIADRO Cc1cccc(NC(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)c1F ZINC000179990760 822592035 /nfs/dbraw/zinc/59/20/35/822592035.db2.gz VYCNVACGAMUIQH-KRWDZBQOSA-N 1 0 385.483 4.156 20 0 GIADRO CC[C@@H](C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)c1ccc(OC)cc1 ZINC000179992310 822592254 /nfs/dbraw/zinc/59/22/54/822592254.db2.gz IYUXUKHHJHQESF-HSZRJFAPSA-N 1 0 380.532 4.217 20 0 GIADRO C[C@@H]([NH2+]CCc1cnn(-c2ccccc2)c1)c1nc2ccc(Cl)cc2n1C ZINC000180004222 822593932 /nfs/dbraw/zinc/59/39/32/822593932.db2.gz HTYMOOIRLSWPNI-OAHLLOKOSA-N 1 0 379.895 4.306 20 0 GIADRO COc1ccc([C@H]([NH2+]C2CCN(CC(=O)Nc3ccccc3)CC2)C(C)C)cc1 ZINC000180003884 822594000 /nfs/dbraw/zinc/59/40/00/822594000.db2.gz UXLANFGCOZBXSE-XMMPIXPASA-N 1 0 395.547 4.085 20 0 GIADRO CC[C@H]1Oc2cc([C@H](C)[NH2+]CC(=O)Nc3ccc(C(C)C)cc3)ccc2NC1=O ZINC000180008504 822594887 /nfs/dbraw/zinc/59/48/87/822594887.db2.gz CRWLDDGWJXLFQX-MGPUTAFESA-N 1 0 395.503 4.209 20 0 GIADRO CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3ccccc3OC(F)F)ccc2NC1=O ZINC000180010036 822595512 /nfs/dbraw/zinc/59/55/12/822595512.db2.gz KQDGNUPTRGBFAP-MLGOLLRUSA-N 1 0 376.403 4.248 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000180010465 822595804 /nfs/dbraw/zinc/59/58/04/822595804.db2.gz BTSBRNJFFSRHLN-IIBYNOLFSA-N 1 0 386.923 4.105 20 0 GIADRO Brc1cccc2c1CC[C@H]2[NH2+]Cc1ccc(Cn2ccnc2)cc1 ZINC000180011594 822596208 /nfs/dbraw/zinc/59/62/08/822596208.db2.gz AFUQQKUAKXPNQL-HXUWFJFHSA-N 1 0 382.305 4.471 20 0 GIADRO C[C@H]1C[C@@H](NC(=O)NCc2ccc(C(F)F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000184210452 822596687 /nfs/dbraw/zinc/59/66/87/822596687.db2.gz JCRWPMQFTCMPIS-JXFKEZNVSA-N 1 0 387.474 4.477 20 0 GIADRO COc1cc([C@H](C)[NH2+]Cc2ccc(-n3cncn3)c(F)c2)ccc1OCC(C)C ZINC000047610000 822596803 /nfs/dbraw/zinc/59/68/03/822596803.db2.gz KUNDECAAUAHYIF-INIZCTEOSA-N 1 0 398.482 4.301 20 0 GIADRO Cc1c(N[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cccc1N1CCOC1=O ZINC000180014721 822596783 /nfs/dbraw/zinc/59/67/83/822596783.db2.gz HLNRNIIAKYLRIY-KRWDZBQOSA-N 1 0 383.492 4.065 20 0 GIADRO COc1ccc([C@@H]([NH2+]C2CCN(C(=O)c3ccccc3F)CC2)C(C)C)cc1 ZINC000180017110 822597222 /nfs/dbraw/zinc/59/72/22/822597222.db2.gz SUCCVZHSWJPGIQ-QFIPXVFZSA-N 1 0 384.495 4.426 20 0 GIADRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]CC(=O)Nc3cccc(C(C)C)c3)ccc2NC1=O ZINC000180018895 822597646 /nfs/dbraw/zinc/59/76/46/822597646.db2.gz CACUOLFSTNPQLP-QRWLVFNGSA-N 1 0 395.503 4.209 20 0 GIADRO CC(C)[C@@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccc(Cl)c(Cl)c1 ZINC000180019482 822597910 /nfs/dbraw/zinc/59/79/10/822597910.db2.gz LBFPJLHDSLYSMR-QGZVFWFLSA-N 1 0 376.291 4.456 20 0 GIADRO C[C@H]1CN(c2ccc(C[NH2+][C@@H](c3ccc(F)cc3)C3CCCC3)cn2)CCO1 ZINC000180021046 822598304 /nfs/dbraw/zinc/59/83/04/822598304.db2.gz ORPMJMULNLVGCU-GAJHUEQPSA-N 1 0 383.511 4.467 20 0 GIADRO CC(C)[NH+](CCNC(=O)N[C@@H](C)c1ccc(OCc2cccnc2)cc1)C(C)C ZINC000047684216 822599720 /nfs/dbraw/zinc/59/97/20/822599720.db2.gz LEGLDPADJYNUHU-IBGZPJMESA-N 1 0 398.551 4.140 20 0 GIADRO CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3cc(F)cc4cccnc43)ccc2NC1=O ZINC000180031647 822601269 /nfs/dbraw/zinc/60/12/69/822601269.db2.gz NEROAKDISUJNGC-ORAYPTAESA-N 1 0 379.435 4.334 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)Nc1ccc(OC(F)F)c(F)c1 ZINC000047713904 822602391 /nfs/dbraw/zinc/60/23/91/822602391.db2.gz QSTIZDAEYAMLSC-OAHLLOKOSA-N 1 0 397.397 4.369 20 0 GIADRO CCCC(=O)Nc1cccc(NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000047715997 822603321 /nfs/dbraw/zinc/60/33/21/822603321.db2.gz RFUQSLOOODLFIF-UHFFFAOYSA-N 1 0 394.519 4.343 20 0 GIADRO Cc1ccc(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)c(C2CC2)n1 ZINC000455185012 822603444 /nfs/dbraw/zinc/60/34/44/822603444.db2.gz RZNBOCQZJAKRCA-UHFFFAOYSA-N 1 0 381.545 4.111 20 0 GIADRO COc1ccc([C@@H]([NH2+]Cc2cccc(NC(=O)[C@H]3CCCO3)c2)C(C)C)cc1 ZINC000180049003 822604156 /nfs/dbraw/zinc/60/41/56/822604156.db2.gz ZPFDSAVXVDNWNU-YADHBBJMSA-N 1 0 382.504 4.300 20 0 GIADRO CCOc1ccc(C[NH2+][C@H](C)c2ccc(NC(=O)NC(C)C)cc2)cc1OC ZINC000047723623 822604150 /nfs/dbraw/zinc/60/41/50/822604150.db2.gz DWVTUYANCJFORU-MRXNPFEDSA-N 1 0 385.508 4.475 20 0 GIADRO C[C@@H](CNC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1nccs1 ZINC000184258066 822604434 /nfs/dbraw/zinc/60/44/34/822604434.db2.gz SWUBISIOBOAVKU-YOEHRIQHSA-N 1 0 392.956 4.036 20 0 GIADRO O=C(NC[C@@H]1CCCO1)c1cccc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)c1 ZINC000180051502 822604875 /nfs/dbraw/zinc/60/48/75/822604875.db2.gz VFQSZNWUPPMCRI-FCHUYYIVSA-N 1 0 398.934 4.490 20 0 GIADRO CC(C)(C)OC(=O)c1cccc(C[NH2+][C@H](CN2CCCC2=O)c2ccccc2)c1 ZINC000180054111 822605195 /nfs/dbraw/zinc/60/51/95/822605195.db2.gz ZRCPBDSOCKKYMR-OAQYLSRUSA-N 1 0 394.515 4.095 20 0 GIADRO C[N@@H+]1CC[C@@H](NC(=O)c2cccc(Br)c2Cl)[C@@H]1c1ccccc1 ZINC000180056646 822605610 /nfs/dbraw/zinc/60/56/10/822605610.db2.gz PMNYDWMQSZSWLD-WBVHZDCISA-N 1 0 393.712 4.278 20 0 GIADRO Cc1ccc(Cn2cc(C[NH2+][C@H](C)C[S@](C)=O)c(-c3ccc(C)cc3)n2)cc1 ZINC000184268230 822606136 /nfs/dbraw/zinc/60/61/36/822606136.db2.gz CYTZTBWOMYBEBZ-GDJIYFAZSA-N 1 0 395.572 4.072 20 0 GIADRO CCOc1c(Cl)cc(NC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1Cl ZINC000455198616 822606369 /nfs/dbraw/zinc/60/63/69/822606369.db2.gz ULTNVTVGWADQDR-SFHVURJKSA-N 1 0 386.323 4.342 20 0 GIADRO Cc1ccc(-c2n[nH]cc2C[NH2+]CC2(C)CCN(C(=O)OC(C)(C)C)CC2)o1 ZINC000184270746 822606494 /nfs/dbraw/zinc/60/64/94/822606494.db2.gz BTLLKGRGCZCWKS-UHFFFAOYSA-N 1 0 388.512 4.105 20 0 GIADRO CSc1ccc([C@H](CNC(=O)Nc2ccnn2[C@@H](C)C2CC2)[NH+](C)C)cc1 ZINC000455200095 822606872 /nfs/dbraw/zinc/60/68/72/822606872.db2.gz WBGXGNGYDJOHDV-KSSFIOAISA-N 1 0 387.553 4.000 20 0 GIADRO Fc1cc(C[NH2+]Cc2cccc(OCc3ccccc3)c2)ccc1-n1cncn1 ZINC000047770693 822608249 /nfs/dbraw/zinc/60/82/49/822608249.db2.gz XQVISVDLQFLLOM-UHFFFAOYSA-N 1 0 388.446 4.275 20 0 GIADRO COc1cccc([C@@H]2[C@@H](NC(=O)Nc3ccc(F)cc3F)CC[N@@H+]2C2CC2)c1 ZINC000180068641 822608641 /nfs/dbraw/zinc/60/86/41/822608641.db2.gz AUGIXQFWFGUEHX-VQTJNVASSA-N 1 0 387.430 4.073 20 0 GIADRO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CCc1nccn1Cc1ccccc1)CC3 ZINC000180068953 822608770 /nfs/dbraw/zinc/60/87/70/822608770.db2.gz NJBMYYHYYCWBPU-FQEVSTJZSA-N 1 0 384.527 4.411 20 0 GIADRO CC[C@H](C)NC(=O)c1ccc(C[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)cc1 ZINC000047792463 822609580 /nfs/dbraw/zinc/60/95/80/822609580.db2.gz GZQVKZAMUIJNHD-HNNXBMFYSA-N 1 0 380.467 4.034 20 0 GIADRO COc1ccc(C(=O)Nc2cccc(C[NH2+]C[C@@H](C)c3nccs3)c2)cc1 ZINC000184292498 822609808 /nfs/dbraw/zinc/60/98/08/822609808.db2.gz BVWCSTUPEBGWGB-OAHLLOKOSA-N 1 0 381.501 4.297 20 0 GIADRO COc1ccc(CC[NH2+][C@@H](C)c2nc3ccccc3n2C)cc1OC(F)F ZINC000180080207 822611088 /nfs/dbraw/zinc/61/10/88/822611088.db2.gz RYUIEEDQSIQTIQ-ZDUSSCGKSA-N 1 0 375.419 4.077 20 0 GIADRO Cc1ccc(C)c([C@@H]([NH2+]Cc2cccnc2N2CCOCC2)c2ccccc2)c1 ZINC000180080881 822611348 /nfs/dbraw/zinc/61/13/48/822611348.db2.gz TZQJKLVKQWSOHM-DEOSSOPVSA-N 1 0 387.527 4.414 20 0 GIADRO C[NH+](C)CCc1ccccc1NC(=O)N1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000455227753 822612745 /nfs/dbraw/zinc/61/27/45/822612745.db2.gz MAXVPQDMTBNQGU-NRFANRHFSA-N 1 0 391.519 4.426 20 0 GIADRO CCOc1cc(C[NH2+][C@@H](C)c2ccc3c(c2)CCC(=O)N3)cc(Cl)c1OC ZINC000047827528 822612992 /nfs/dbraw/zinc/61/29/92/822612992.db2.gz ROIRQSLNKGCORV-ZDUSSCGKSA-N 1 0 388.895 4.483 20 0 GIADRO C[C@@H](NC(=O)NC[C@H](c1cccs1)[NH+](C)C)c1ccc(C(F)(F)F)cc1 ZINC000047834001 822613488 /nfs/dbraw/zinc/61/34/88/822613488.db2.gz QFMBHKJUANQLOI-IUODEOHRSA-N 1 0 385.455 4.430 20 0 GIADRO COc1cccc(NC(=O)C[NH2+][C@@H](C)c2ccc(OCC(C)C)c(OC)c2)c1 ZINC000180095344 822614209 /nfs/dbraw/zinc/61/42/09/822614209.db2.gz FFAHQWOOKPMMSH-INIZCTEOSA-N 1 0 386.492 4.028 20 0 GIADRO Clc1ccccc1[C@@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc2c(c1)OCCO2 ZINC000180094820 822614300 /nfs/dbraw/zinc/61/43/00/822614300.db2.gz BADJVLHPXRXTKR-HJPURHCSSA-N 1 0 398.934 4.275 20 0 GIADRO COc1cc([C@@H](C)[NH2+]Cc2cccc(C(=O)N(C)C)c2)ccc1OCC(C)C ZINC000180099758 822615222 /nfs/dbraw/zinc/61/52/22/822615222.db2.gz XUTUZBFOSQFCLS-QGZVFWFLSA-N 1 0 384.520 4.283 20 0 GIADRO COc1ccc2oc([C@@H](C)[NH2+]CC(=O)Nc3cc(OC)ccc3OC)c(C)c2c1 ZINC000184324673 822615190 /nfs/dbraw/zinc/61/51/90/822615190.db2.gz JPDWIEFRKYFECP-CQSZACIVSA-N 1 0 398.459 4.056 20 0 GIADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)N[C@@H](c3cccc4ccccc43)C(F)(F)F)C2)C1 ZINC000455240837 822615608 /nfs/dbraw/zinc/61/56/08/822615608.db2.gz RTGPPPXIMAGPHM-AZUAARDMSA-N 1 0 391.437 4.180 20 0 GIADRO O=C(CCc1ccc2[nH]ccc2c1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000180104111 822615857 /nfs/dbraw/zinc/61/58/57/822615857.db2.gz MQDPAWVIARUVLR-UHFFFAOYSA-N 1 0 381.545 4.190 20 0 GIADRO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1cccc(CN2CCCC2=O)c1)CC3 ZINC000180106544 822616328 /nfs/dbraw/zinc/61/63/28/822616328.db2.gz KJWHRVREQROTPQ-HXUWFJFHSA-N 1 0 387.527 4.246 20 0 GIADRO COc1ccc2oc([C@@H](C)[NH2+][C@@H](C)C(=O)NCCc3cccs3)c(C)c2c1 ZINC000184332400 822616846 /nfs/dbraw/zinc/61/68/46/822616846.db2.gz PVKVEGGDRHARSB-CABCVRRESA-N 1 0 386.517 4.209 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CN[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000180113083 822617881 /nfs/dbraw/zinc/61/78/81/822617881.db2.gz VBGXMCRGWYQFCS-HSZRJFAPSA-N 1 0 380.511 4.279 20 0 GIADRO Cc1scc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C(F)(F)F)c1C ZINC000180117931 822618930 /nfs/dbraw/zinc/61/89/30/822618930.db2.gz WUALJVNYBXNMJI-UHFFFAOYSA-N 1 0 397.466 4.388 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]CC(=O)N1CCCCCC1 ZINC000184342677 822618979 /nfs/dbraw/zinc/61/89/79/822618979.db2.gz QEECJBNOHDQKDX-CQSZACIVSA-N 1 0 375.513 4.311 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]CC(=O)Nc1nccs1 ZINC000184346988 822619819 /nfs/dbraw/zinc/61/98/19/822619819.db2.gz FWGMQGXCXROPCU-SNVBAGLBSA-N 1 0 376.482 4.003 20 0 GIADRO C[NH+](C)CCCC1CCN(C(=O)c2csc(Cc3cccc(F)c3)n2)CC1 ZINC000180123436 822620090 /nfs/dbraw/zinc/62/00/90/822620090.db2.gz XIOKIPBSFHZESV-UHFFFAOYSA-N 1 0 389.540 4.067 20 0 GIADRO CC[C@@H](C)n1ncc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)c1C ZINC000455262474 822620602 /nfs/dbraw/zinc/62/06/02/822620602.db2.gz MQTLXTOICZLAAX-QZTJIDSGSA-N 1 0 383.540 4.148 20 0 GIADRO Cc1cc2c(cc1NC(=O)N1CCC(CC[N@H+]3CCCC[C@H]3C)CC1)OCO2 ZINC000180126197 822620692 /nfs/dbraw/zinc/62/06/92/822620692.db2.gz CQVXKTCCSYKWJP-QGZVFWFLSA-N 1 0 387.524 4.232 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1cccc(C(=O)NC2CC2)c1)c1cc2ccccc2s1 ZINC000184355181 822621055 /nfs/dbraw/zinc/62/10/55/822621055.db2.gz HIYVRLNSENBVCZ-AWEZNQCLSA-N 1 0 393.512 4.083 20 0 GIADRO COC(=O)Nc1ccc(CNC(=O)C[NH2+][C@@H](C)c2cc3ccccc3s2)cc1 ZINC000184355718 822621120 /nfs/dbraw/zinc/62/11/20/822621120.db2.gz HETWHCIBHUZEIW-AWEZNQCLSA-N 1 0 397.500 4.047 20 0 GIADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)Nc3ccc(C(C)(C)C(F)(F)F)cc3)C2)C1 ZINC000455265349 822621181 /nfs/dbraw/zinc/62/11/81/822621181.db2.gz CNMZNECSKVGCDS-LJQANCHMSA-N 1 0 383.458 4.476 20 0 GIADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)Nc3ccc(C(C)(C)C(F)(F)F)cc3)C2)C1 ZINC000455265345 822621184 /nfs/dbraw/zinc/62/11/84/822621184.db2.gz CNMZNECSKVGCDS-IBGZPJMESA-N 1 0 383.458 4.476 20 0 GIADRO CCOC(=O)Nc1ccc(NC(=O)NC[C@H](c2ccc(CC)cc2)[NH+](C)C)cc1 ZINC000047946110 822621465 /nfs/dbraw/zinc/62/14/65/822621465.db2.gz COOBTCSKHIMJLA-HXUWFJFHSA-N 1 0 398.507 4.242 20 0 GIADRO CCOC(=O)Nc1ccc(NC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000047945053 822621507 /nfs/dbraw/zinc/62/15/07/822621507.db2.gz PCFFIBLKCMDGQN-CALCHBBNSA-N 1 0 390.528 4.135 20 0 GIADRO C[C@@H]([NH2+][C@H](Cc1ccccc1)c1ccccc1F)c1ccc(S(N)(=O)=O)cc1 ZINC000180129429 822621719 /nfs/dbraw/zinc/62/17/19/822621719.db2.gz OZXRVMNEGUJLBU-OPAMFIHVSA-N 1 0 398.503 4.108 20 0 GIADRO Cc1ccc([C@@H]([NH2+]Cc2ccc(N3CCO[C@H](C)C3)nc2)c2ccccc2)cc1 ZINC000180130244 822621856 /nfs/dbraw/zinc/62/18/56/822621856.db2.gz YVMFDTYZMTZNSU-NLFFAJNJSA-N 1 0 387.527 4.494 20 0 GIADRO CCOC(=O)Nc1ccc(NC(=O)NCc2ccccc2C[NH+](CC)CC)cc1 ZINC000047946995 822621872 /nfs/dbraw/zinc/62/18/72/822621872.db2.gz CYSGNJSZSYNOLK-UHFFFAOYSA-N 1 0 398.507 4.419 20 0 GIADRO Clc1cccc(N2CCCC2)c1CNCC1([NH+]2CCCCC2)CCOCC1 ZINC000180132339 822622343 /nfs/dbraw/zinc/62/23/43/822622343.db2.gz KWILGGWIAADJGI-UHFFFAOYSA-N 1 0 391.987 4.065 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2ncccc2C(F)(F)F)CC1 ZINC000180137119 822623932 /nfs/dbraw/zinc/62/39/32/822623932.db2.gz MFLBVUZQBSUGTA-CQSZACIVSA-N 1 0 377.410 4.056 20 0 GIADRO CC[C@H](C)n1ncc(NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)c1C ZINC000455274220 822624119 /nfs/dbraw/zinc/62/41/19/822624119.db2.gz XCKKVIQPANMXLZ-ZDUSSCGKSA-N 1 0 389.466 4.043 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2nc(-c3ccccc3Cl)ns2)C1 ZINC000184375792 822624385 /nfs/dbraw/zinc/62/43/85/822624385.db2.gz PQOTYFRZFFDDDS-ZDUSSCGKSA-N 1 0 393.944 4.054 20 0 GIADRO C[C@@H]1CCCN(C(=O)C2CC[NH+](CCOc3ccc(Cl)cc3Cl)CC2)C1 ZINC000048046530 822626465 /nfs/dbraw/zinc/62/64/65/822626465.db2.gz RTOFAEVORPPSGP-OAHLLOKOSA-N 1 0 399.362 4.343 20 0 GIADRO COc1cc2[nH]c(CCC[NH2+][C@@H](C)c3nc4ccccc4n3C)cc2c(OC)c1 ZINC000180148034 822626709 /nfs/dbraw/zinc/62/67/09/822626709.db2.gz OGRAYFJNXOCEIU-HNNXBMFYSA-N 1 0 392.503 4.355 20 0 GIADRO COc1ccccc1NC(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000048050547 822626850 /nfs/dbraw/zinc/62/68/50/822626850.db2.gz XUYDWNGHEGVIOK-IBGZPJMESA-N 1 0 383.492 4.053 20 0 GIADRO COc1ccc(NC(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCCC2)cc1 ZINC000048050952 822627063 /nfs/dbraw/zinc/62/70/63/822627063.db2.gz IMHITMLDHQPMKN-FQEVSTJZSA-N 1 0 383.492 4.053 20 0 GIADRO C[C@H]([NH2+][C@H](c1ccccc1F)C1CCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000180150490 822627459 /nfs/dbraw/zinc/62/74/59/822627459.db2.gz OOZYBECKUOQSIB-XOBRGWDASA-N 1 0 376.497 4.055 20 0 GIADRO CSc1c(F)cc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1F ZINC000184396693 822627997 /nfs/dbraw/zinc/62/79/97/822627997.db2.gz FMRQVRJIMRYTQI-PXAZEXFGSA-N 1 0 381.492 4.167 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)Nc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000048061261 822628263 /nfs/dbraw/zinc/62/82/63/822628263.db2.gz IUURRLOQGIIPDB-UHFFFAOYSA-N 1 0 387.446 4.212 20 0 GIADRO COc1ccc([C@@H](C)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)cc1OC ZINC000180155368 822628619 /nfs/dbraw/zinc/62/86/19/822628619.db2.gz ANKGGLPCQWSNDP-GOSISDBHSA-N 1 0 395.547 4.409 20 0 GIADRO Cc1ccc([C@H](OC[C@@H](O)C[NH2+][C@@H](C)c2nccs2)c2ccccc2)cc1 ZINC000184400518 822628676 /nfs/dbraw/zinc/62/86/76/822628676.db2.gz ZVGWADQHSWLOBR-DZFGPLHGSA-N 1 0 382.529 4.269 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)CC1 ZINC000048072880 822629442 /nfs/dbraw/zinc/62/94/42/822629442.db2.gz OCXWZEAXHWICKD-UHFFFAOYSA-N 1 0 398.507 4.116 20 0 GIADRO COc1ccccc1S(=O)(=O)CCC[NH2+][C@H](C)c1oc2ccccc2c1C ZINC000184407019 822629494 /nfs/dbraw/zinc/62/94/94/822629494.db2.gz LLNNCNIFHCOVDV-MRXNPFEDSA-N 1 0 387.501 4.264 20 0 GIADRO CC(C)c1nc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)cs1 ZINC000180161255 822629869 /nfs/dbraw/zinc/62/98/69/822629869.db2.gz DFOPQRHUUHIPAH-ALOPSCKCSA-N 1 0 379.570 4.329 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)Nc1cccc(OC(F)F)c1 ZINC000048078806 822630029 /nfs/dbraw/zinc/63/00/29/822630029.db2.gz QRYUOUJTZSUCLN-UHFFFAOYSA-N 1 0 381.398 4.023 20 0 GIADRO C[N@@H+]1CC[C@@H](NC(=O)c2[nH]c3ccccc3c2Br)[C@@H]1c1ccccc1 ZINC000180162689 822630259 /nfs/dbraw/zinc/63/02/59/822630259.db2.gz WJPKHWBVQAFFAS-APWZRJJASA-N 1 0 398.304 4.106 20 0 GIADRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1sccc1Br ZINC000048093997 822631224 /nfs/dbraw/zinc/63/12/24/822631224.db2.gz MVHOHUVTUZKEMP-OAHLLOKOSA-N 1 0 379.323 4.078 20 0 GIADRO Cc1ccc(NC(=O)[C@H]([NH2+]CCC2(C)OCCO2)c2ccccc2)cc1Cl ZINC000184418587 822631460 /nfs/dbraw/zinc/63/14/60/822631460.db2.gz OXGMFUBWXCTOCL-LJQANCHMSA-N 1 0 388.895 4.071 20 0 GIADRO FC(F)(F)CC[NH+]1CCC(NCc2nccn2CCCc2ccccc2)CC1 ZINC000180170096 822631545 /nfs/dbraw/zinc/63/15/45/822631545.db2.gz XEINCXOGWXAHSN-UHFFFAOYSA-N 1 0 394.485 4.022 20 0 GIADRO CCCN(CC[NH+](CC)CC)C(=O)Nc1cccc(-c2noc(C3CC3)n2)c1 ZINC000184419703 822631761 /nfs/dbraw/zinc/63/17/61/822631761.db2.gz IINMSCCGWADFSW-UHFFFAOYSA-N 1 0 385.512 4.200 20 0 GIADRO FC(F)(F)CCN1CCC([NH2+]CCCO[C@@H]2CCCc3ccccc32)CC1 ZINC000180173451 822632361 /nfs/dbraw/zinc/63/23/61/822632361.db2.gz KROHVEKMYYEWNQ-HXUWFJFHSA-N 1 0 384.486 4.477 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(C(=O)NC(C)C)cc1)c1ccccc1 ZINC000048105069 822633262 /nfs/dbraw/zinc/63/32/62/822633262.db2.gz JYTMDPQBBSZDIM-NRFANRHFSA-N 1 0 396.535 4.029 20 0 GIADRO C[C@H]([NH2+][C@H](Cc1ccccc1)c1cccs1)c1ccc(S(N)(=O)=O)cc1 ZINC000180178927 822633406 /nfs/dbraw/zinc/63/34/06/822633406.db2.gz JJTLESGRLAGJPJ-HNAYVOBHSA-N 1 0 386.542 4.030 20 0 GIADRO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1ccc(CN2CCCC2=O)cc1)CC3 ZINC000180183312 822634464 /nfs/dbraw/zinc/63/44/64/822634464.db2.gz MDAAPIHUPFMORV-HXUWFJFHSA-N 1 0 387.527 4.246 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)Nc1cccc(N(C)C)c1C)[NH+]1CCCC1 ZINC000180185356 822634754 /nfs/dbraw/zinc/63/47/54/822634754.db2.gz UHYLEQPGQNMLGI-OAQYLSRUSA-N 1 0 396.535 4.028 20 0 GIADRO COCCC(=O)N1CCC([NH2+][C@H](c2ccc(Cl)c(Cl)c2)C(C)C)CC1 ZINC000180193909 822636523 /nfs/dbraw/zinc/63/65/23/822636523.db2.gz DKAQOOGLKIKQHK-IBGZPJMESA-N 1 0 387.351 4.308 20 0 GIADRO Brc1cccc2c1CC[C@H]2[NH2+]CCc1nnc(-c2ccccc2)o1 ZINC000180198438 822637692 /nfs/dbraw/zinc/63/76/92/822637692.db2.gz WXLWSNHPXNTVNK-QGZVFWFLSA-N 1 0 384.277 4.319 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)N[C@@H]1CCCOc2cc(F)ccc21 ZINC000180205783 822639162 /nfs/dbraw/zinc/63/91/62/822639162.db2.gz VJVXSAXYIPXUQA-OAQYLSRUSA-N 1 0 397.494 4.003 20 0 GIADRO CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000184460374 822639383 /nfs/dbraw/zinc/63/93/83/822639383.db2.gz YRQBQULTIIFCRR-FQEVSTJZSA-N 1 0 394.515 4.493 20 0 GIADRO Cc1nc(-c2ccccc2)sc1NC(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000184464786 822640590 /nfs/dbraw/zinc/64/05/90/822640590.db2.gz SPIABGUIPCMLPG-UHFFFAOYSA-N 1 0 395.532 4.109 20 0 GIADRO Cc1c(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)oc2c1c(C)ccc2C ZINC000180212877 822640593 /nfs/dbraw/zinc/64/05/93/822640593.db2.gz IZTKQCISFLWERE-UHFFFAOYSA-N 1 0 377.488 4.399 20 0 GIADRO Cc1ccc(-c2nc(C)c(C(=O)NCC3CCN(c4cc[nH+]cc4)CC3)s2)o1 ZINC000180212853 822640624 /nfs/dbraw/zinc/64/06/24/822640624.db2.gz AWPLDBHJWOWZBB-UHFFFAOYSA-N 1 0 396.516 4.061 20 0 GIADRO Cc1nc(C2CCCC2)sc1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180213638 822640873 /nfs/dbraw/zinc/64/08/73/822640873.db2.gz LXJUGDPHOQUZBT-UHFFFAOYSA-N 1 0 384.549 4.151 20 0 GIADRO Cc1nc(-c2ccccc2)ccc1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180219964 822641839 /nfs/dbraw/zinc/64/18/39/822641839.db2.gz GCPXIMGAXPMXDZ-UHFFFAOYSA-N 1 0 386.499 4.098 20 0 GIADRO CC[C@H](CC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(OC)cc1 ZINC000180224296 822642835 /nfs/dbraw/zinc/64/28/35/822642835.db2.gz JQMAIGYFJVPWCP-LJQANCHMSA-N 1 0 381.520 4.007 20 0 GIADRO Cc1ccc(Cc2ccccn2)cc1NC(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000455398122 822646548 /nfs/dbraw/zinc/64/65/48/822646548.db2.gz VMXSNZBJZMDGAI-GOSISDBHSA-N 1 0 392.547 4.319 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CSCc2cccnc2)cc1 ZINC000048227561 822647109 /nfs/dbraw/zinc/64/71/09/822647109.db2.gz NHNDZSBVFMYXBA-SFHVURJKSA-N 1 0 383.561 4.006 20 0 GIADRO CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cc(F)c(F)c(F)c2)c2ccc(F)cc2C1 ZINC000184509008 822647430 /nfs/dbraw/zinc/64/74/30/822647430.db2.gz PAOCXATVPWXJOA-WLRWDXFRSA-N 1 0 380.385 4.387 20 0 GIADRO CC[C@H]([NH2+][C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21)c1ccc2c(c1)OCCO2 ZINC000184509438 822647793 /nfs/dbraw/zinc/64/77/93/822647793.db2.gz UVYAXCLBKLUVBP-LEWJYISDSA-N 1 0 398.478 4.131 20 0 GIADRO CC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc3c(c2)OCCCO3)c2ccc(F)cc2C1 ZINC000184511844 822648188 /nfs/dbraw/zinc/64/81/88/822648188.db2.gz KXCOHSCQIFXETI-VFNWGFHPSA-N 1 0 398.478 4.131 20 0 GIADRO O=C(NCCCCC[NH+]1CCCC1)N[C@H](c1c[nH]c2ccccc21)C(F)(F)F ZINC000455412698 822648935 /nfs/dbraw/zinc/64/89/35/822648935.db2.gz QUNLWWIFDFJNCB-GOSISDBHSA-N 1 0 396.457 4.337 20 0 GIADRO O[C@H](C[NH2+]Cc1ccc(Br)cc1)c1cccc(Br)c1 ZINC000048271320 822650429 /nfs/dbraw/zinc/65/04/29/822650429.db2.gz CDZSIBMKCGWXLW-OAHLLOKOSA-N 1 0 385.099 4.035 20 0 GIADRO CC(C)[NH+]1CCC(C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000180263143 822650428 /nfs/dbraw/zinc/65/04/28/822650428.db2.gz NUQFBAXNKCELLU-UHFFFAOYSA-N 1 0 391.968 4.243 20 0 GIADRO CC(=O)Nc1ccc(C)c(NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000048273674 822650756 /nfs/dbraw/zinc/65/07/56/822650756.db2.gz ZDFWOZTYSMYKCH-UHFFFAOYSA-N 1 0 394.519 4.261 20 0 GIADRO CCCc1c(NC(=O)N2CCC([NH+]3CCCC3)CC2)cnn1-c1cccc(F)c1 ZINC000184527584 822651548 /nfs/dbraw/zinc/65/15/48/822651548.db2.gz VKFIEUJAMTZROT-UHFFFAOYSA-N 1 0 399.514 4.056 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)N2CCSC[C@H]2c2nccs2)cc1)C(C)C ZINC000184529220 822651714 /nfs/dbraw/zinc/65/17/14/822651714.db2.gz HNKVENIUVAHRKM-SFHVURJKSA-N 1 0 389.590 4.304 20 0 GIADRO CSc1cccc(NC(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000455428305 822651840 /nfs/dbraw/zinc/65/18/40/822651840.db2.gz RRBHJZKCZFKJAO-UHFFFAOYSA-N 1 0 396.560 4.324 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CCSCc2ccccn2)cc1 ZINC000048323259 822653591 /nfs/dbraw/zinc/65/35/91/822653591.db2.gz VXBNWELHIRKQRG-LJQANCHMSA-N 1 0 397.588 4.396 20 0 GIADRO CCCOc1cc(C[N@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)ccc1OC ZINC000180285044 822655245 /nfs/dbraw/zinc/65/52/45/822655245.db2.gz UEVGUIMVDQETEF-DXPJPUQTSA-N 1 0 375.534 4.414 20 0 GIADRO Cc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000184558351 822657161 /nfs/dbraw/zinc/65/71/61/822657161.db2.gz XKXPTIUZGUMXPC-UHFFFAOYSA-N 1 0 398.894 4.027 20 0 GIADRO C[C@@H]([NH2+]Cc1ccn(-c2ccccc2)n1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000180296858 822658566 /nfs/dbraw/zinc/65/85/66/822658566.db2.gz VUBNKXYDOLZDCI-DVECYGJZSA-N 1 0 391.515 4.287 20 0 GIADRO CCC(=O)Nc1ccc(NC(=O)NC[C@@H](c2ccsc2)[NH+](CC)CC)cc1 ZINC000048390192 822658677 /nfs/dbraw/zinc/65/86/77/822658677.db2.gz LGRRWCICVHGPMH-SFHVURJKSA-N 1 0 388.537 4.301 20 0 GIADRO CC(C)(CCC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000180304362 822660336 /nfs/dbraw/zinc/66/03/36/822660336.db2.gz XTMUKCPHGOAQKN-UHFFFAOYSA-N 1 0 386.580 4.095 20 0 GIADRO C[C@@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@@H](C)c1ccccc1C(F)(F)F ZINC000455470513 822660927 /nfs/dbraw/zinc/66/09/27/822660927.db2.gz HJKUZWILDARMOB-YZDRTPDPSA-N 1 0 383.458 4.122 20 0 GIADRO Cc1ccc(CC(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)cc1O ZINC000180311664 822661700 /nfs/dbraw/zinc/66/17/00/822661700.db2.gz PDHAIMCAUZAFLJ-UHFFFAOYSA-N 1 0 388.511 4.288 20 0 GIADRO C[C@@H](c1ccccc1)[N@H+](C)CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000048434340 822661734 /nfs/dbraw/zinc/66/17/34/822661734.db2.gz COFLXBYSBKPXGA-GHTZIAJQSA-N 1 0 394.515 4.204 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Nc1cccnc1Cl)c1cccc(C(F)(F)F)c1 ZINC000184586296 822661789 /nfs/dbraw/zinc/66/17/89/822661789.db2.gz QKQLYMYXKLUTER-AWEZNQCLSA-N 1 0 386.805 4.178 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000455475609 822661888 /nfs/dbraw/zinc/66/18/88/822661888.db2.gz WNXBZXBKWYSJHJ-UHFFFAOYSA-N 1 0 397.445 4.133 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)c1ccc(-c2ccccc2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000184586814 822661957 /nfs/dbraw/zinc/66/19/57/822661957.db2.gz SUMLJEOMSMLPER-SBUREZEXSA-N 1 0 395.524 4.141 20 0 GIADRO CN(C)C(=O)CC1CC[NH+](Cc2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000180324631 822663314 /nfs/dbraw/zinc/66/33/14/822663314.db2.gz AMUKDOURZAQEHZ-UHFFFAOYSA-N 1 0 383.517 4.247 20 0 GIADRO Cc1ccc(-n2cc(C[NH+]3CCC(CC(=O)N(C)C)CC3)c(C(C)(C)C)n2)cc1 ZINC000180327509 822663966 /nfs/dbraw/zinc/66/39/66/822663966.db2.gz FVBDCNVCUCUHPR-UHFFFAOYSA-N 1 0 396.579 4.169 20 0 GIADRO Cc1c(NC(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)cccc1-c1ncco1 ZINC000455487510 822664239 /nfs/dbraw/zinc/66/42/39/822664239.db2.gz JMXUKROKVVYXQI-MRXNPFEDSA-N 1 0 378.476 4.292 20 0 GIADRO Cn1cc([C@@H]([NH2+]CCOc2ccc(F)cc2Cl)c2ccc(F)cc2)cn1 ZINC000184611512 822665536 /nfs/dbraw/zinc/66/55/36/822665536.db2.gz NGBJSRQDNSKEPV-IBGZPJMESA-N 1 0 377.822 4.110 20 0 GIADRO Cc1ccc([C@H](CNC(=O)c2nc(C)oc2-c2ccccc2)[NH+]2CCCC2)o1 ZINC000184612921 822665768 /nfs/dbraw/zinc/66/57/68/822665768.db2.gz HSIVHEQXTYJONF-SFHVURJKSA-N 1 0 379.460 4.118 20 0 GIADRO O=C(N[C@@H](Cc1ccccc1)c1ccccc1)NC1CC[NH+](C2CCC2)CC1 ZINC000455499929 822666609 /nfs/dbraw/zinc/66/66/09/822666609.db2.gz DEUSDASQBMAGCP-QHCPKHFHSA-N 1 0 377.532 4.287 20 0 GIADRO COc1cc([C@@H](C)[NH2+]CCn2c(C)csc2=O)ccc1OCCC(C)C ZINC000180352846 822668525 /nfs/dbraw/zinc/66/85/25/822668525.db2.gz GSOWIXMSAGYCGJ-MRXNPFEDSA-N 1 0 378.538 4.003 20 0 GIADRO CC(C)[C@H](CSc1ccccc1)[NH2+]Cc1cccc(CS(C)(=O)=O)c1 ZINC000180353787 822668739 /nfs/dbraw/zinc/66/87/39/822668739.db2.gz HOUGMSLPSKLANF-FQEVSTJZSA-N 1 0 377.575 4.138 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(C)n(-c3cccc(Cl)c3)n2)[C@H](C)C1 ZINC000180353468 822668828 /nfs/dbraw/zinc/66/88/28/822668828.db2.gz CMPRTUVLKFQKGL-KDOFPFPSSA-N 1 0 389.931 4.028 20 0 GIADRO CCOc1cccc2cc([C@@H](C)[NH2+]CC(=O)Nc3ccc(NC(C)=O)cc3)oc21 ZINC000180355774 822669219 /nfs/dbraw/zinc/66/92/19/822669219.db2.gz UWZJVVHQJKLXEO-CQSZACIVSA-N 1 0 395.459 4.079 20 0 GIADRO C[NH+](C)[C@@H]1Cc2ccccc2N(C(=O)c2csc(Cc3cccc(F)c3)n2)C1 ZINC000180355649 822669331 /nfs/dbraw/zinc/66/93/31/822669331.db2.gz UBFRHLUUOLLKCL-GOSISDBHSA-N 1 0 395.503 4.006 20 0 GIADRO Cc1cc(C)c(NC(=O)NC[C@@H](c2ccc(OC(C)C)cc2)[NH+](C)C)c(C)n1 ZINC000455533006 822671380 /nfs/dbraw/zinc/67/13/80/822671380.db2.gz SYFAFOMUQIYUNV-FQEVSTJZSA-N 1 0 384.524 4.218 20 0 GIADRO O=c1cc(C[NH2+][C@H](CCc2ccccc2)c2ccccc2)nc2sccn21 ZINC000180375414 822672042 /nfs/dbraw/zinc/67/20/42/822672042.db2.gz RFYAROZUNZAQRK-HXUWFJFHSA-N 1 0 375.497 4.220 20 0 GIADRO O=C(Nc1cc(F)cc(F)c1F)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000455540982 822672455 /nfs/dbraw/zinc/67/24/55/822672455.db2.gz MDHGTUZVSWKUPM-HOTGVXAUSA-N 1 0 389.421 4.090 20 0 GIADRO COc1ccc([C@@H](C[NH2+][C@@H](C)c2ccccc2OC(F)F)N(C)C)cc1OC ZINC000180378563 822672513 /nfs/dbraw/zinc/67/25/13/822672513.db2.gz WOEFLGLZUFILOC-WMLDXEAASA-N 1 0 394.462 4.259 20 0 GIADRO COc1cccc([C@@H]2[C@H]([NH2+]CC3=Cc4ccccc4OC3)CCN2C2CC2)c1 ZINC000180380156 822672830 /nfs/dbraw/zinc/67/28/30/822672830.db2.gz QQHOVRGRVHYXFI-ISKFKSNPSA-N 1 0 376.500 4.039 20 0 GIADRO COc1ccc([C@H](C[NH2+][C@@H](C)c2ccc3ccccc3n2)N(C)C)cc1OC ZINC000180379448 822672892 /nfs/dbraw/zinc/67/28/92/822672892.db2.gz DJNXZRARALQGNJ-KKSFZXQISA-N 1 0 379.504 4.206 20 0 GIADRO Cc1nc(C)c([C@H](C)[NH2+][C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)s1 ZINC000184669472 822673381 /nfs/dbraw/zinc/67/33/81/822673381.db2.gz RYMYPTJVSITAHZ-WFASDCNBSA-N 1 0 397.466 4.230 20 0 GIADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1cc(F)cc(F)c1F ZINC000455563063 822675065 /nfs/dbraw/zinc/67/50/65/822675065.db2.gz IFPHSGRLLBVUCF-INIZCTEOSA-N 1 0 392.425 4.017 20 0 GIADRO COc1cc(NC(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc(OC)c1C ZINC000455564853 822675373 /nfs/dbraw/zinc/67/53/73/822675373.db2.gz JFXVOJKFENQFPM-MJGOQNOKSA-N 1 0 397.519 4.044 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)Nc2cc(F)cc(F)c2F)CC[N@@H+]1Cc1ccccc1 ZINC000455568607 822675946 /nfs/dbraw/zinc/67/59/46/822675946.db2.gz RNRZKXWJPHYKNL-CJNGLKHVSA-N 1 0 377.410 4.279 20 0 GIADRO COc1cc(NC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)cc(OC)c1C ZINC000455569500 822676150 /nfs/dbraw/zinc/67/61/50/822676150.db2.gz BAXPYFFIDKFKHA-QGZVFWFLSA-N 1 0 397.519 4.359 20 0 GIADRO Cc1nc(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)c(-c2ccccc2)o1 ZINC000184684770 822676227 /nfs/dbraw/zinc/67/62/27/822676227.db2.gz ANVDYTIGCKEQCE-LJQANCHMSA-N 1 0 381.520 4.378 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)Nc3cc(F)cc(F)c3F)c(C)c2)CC1 ZINC000455570897 822676326 /nfs/dbraw/zinc/67/63/26/822676326.db2.gz XJAIKMZCUHPBBU-UHFFFAOYSA-N 1 0 392.425 4.198 20 0 GIADRO CCOc1ccc([C@H]([NH2+][C@H]2CCc3nc(C)nn3C2)c2ccccc2Cl)cc1 ZINC000180408434 822676605 /nfs/dbraw/zinc/67/66/05/822676605.db2.gz LEDRLYONUAKPFQ-JTSKRJEESA-N 1 0 396.922 4.333 20 0 GIADRO Cc1cc(C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)nn1-c1ccc(C)cc1 ZINC000180409517 822676877 /nfs/dbraw/zinc/67/68/77/822676877.db2.gz VXUOGXNITVJMAZ-PZJWPPBQSA-N 1 0 394.563 4.216 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C(=O)N3CCCCC3)cc1)CCCO2 ZINC000180410789 822677053 /nfs/dbraw/zinc/67/70/53/822677053.db2.gz RMYISPRUVBSTIH-JOCHJYFZSA-N 1 0 394.515 4.325 20 0 GIADRO Cn1cc([C@H]([NH2+]CCCc2nc3c(s2)CCCC3)c2cccc(F)c2)cn1 ZINC000180410424 822677125 /nfs/dbraw/zinc/67/71/25/822677125.db2.gz JLVOYCVAKGNCCP-OAQYLSRUSA-N 1 0 384.524 4.206 20 0 GIADRO CCc1nc2c(s1)[C@@H]([NH2+]Cc1ccc(C(=O)N3CCCCC3)cc1)CCC2 ZINC000180411215 822677241 /nfs/dbraw/zinc/67/72/41/822677241.db2.gz SFPJMFOISPAUHU-SFHVURJKSA-N 1 0 383.561 4.499 20 0 GIADRO C[C@@H]([NH2+]Cc1cn(C)nc1-c1ccccc1)c1nc2ccc(Cl)cc2n1C ZINC000180415727 822677903 /nfs/dbraw/zinc/67/79/03/822677903.db2.gz AUZODYWCKLSANP-CQSZACIVSA-N 1 0 379.895 4.478 20 0 GIADRO C[C@@H](CN(C)C(=O)NCC1([NH+]2CCCCC2)CCCCC1)c1nccs1 ZINC000184700989 822678845 /nfs/dbraw/zinc/67/88/45/822678845.db2.gz ZQCKANFLLISVQR-KRWDZBQOSA-N 1 0 378.586 4.077 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1ccc(Cl)c(F)c1 ZINC000180422528 822679033 /nfs/dbraw/zinc/67/90/33/822679033.db2.gz QMBFCCNUPYUGNQ-UHFFFAOYSA-N 1 0 375.875 4.253 20 0 GIADRO C[C@H]([NH2+]C1(c2cccc(Br)c2)CCC1)c1ccc(-n2cnnn2)cc1 ZINC000180428660 822680034 /nfs/dbraw/zinc/68/00/34/822680034.db2.gz PZWIZYGUDYTQGB-AWEZNQCLSA-N 1 0 398.308 4.155 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)Cc1ccc(F)cc1Cl ZINC000180428411 822680097 /nfs/dbraw/zinc/68/00/97/822680097.db2.gz WKXZVALRYNTINW-UHFFFAOYSA-N 1 0 389.902 4.182 20 0 GIADRO CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000180429209 822680345 /nfs/dbraw/zinc/68/03/45/822680345.db2.gz QMHNRJUWJPSCES-JOCHJYFZSA-N 1 0 395.547 4.322 20 0 GIADRO Cc1ccsc1C[NH2+]Cc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000048745003 822680714 /nfs/dbraw/zinc/68/07/14/822680714.db2.gz DRDNREUNHXHISB-UHFFFAOYSA-N 1 0 396.535 4.207 20 0 GIADRO Cc1nccn1CCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000048750366 822681357 /nfs/dbraw/zinc/68/13/57/822681357.db2.gz OWEWNMNNBNNNOJ-UHFFFAOYSA-N 1 0 389.478 4.363 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000184718164 822681387 /nfs/dbraw/zinc/68/13/87/822681387.db2.gz ABTNXKVLMQKRRK-QZTJIDSGSA-N 1 0 388.433 4.120 20 0 GIADRO CC1(C(=O)NCc2cccc(OC(F)F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000184719531 822681566 /nfs/dbraw/zinc/68/15/66/822681566.db2.gz LIWKJEHVZVPXFB-UHFFFAOYSA-N 1 0 388.458 4.207 20 0 GIADRO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CCc1cc(F)cc2c1OCOC2)CC3 ZINC000180437566 822681907 /nfs/dbraw/zinc/68/19/07/822681907.db2.gz RZYDJEUAKMGYTG-SFHVURJKSA-N 1 0 380.463 4.172 20 0 GIADRO C[N@H+](CCCCNC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1)C1CC1 ZINC000455601856 822682305 /nfs/dbraw/zinc/68/23/05/822682305.db2.gz DCCYBDBTKYMDAE-HSZRJFAPSA-N 1 0 377.532 4.218 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H]1C[C@@]12CCc1ccccc12 ZINC000180441916 822682793 /nfs/dbraw/zinc/68/27/93/822682793.db2.gz HRAZSLWHRGEELV-ILBGXUMGSA-N 1 0 389.543 4.051 20 0 GIADRO CCCN(C)c1ccc(C(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000180444973 822683187 /nfs/dbraw/zinc/68/31/87/822683187.db2.gz LWDJQFOHZMMSHQ-UHFFFAOYSA-N 1 0 394.563 4.307 20 0 GIADRO COc1ccccc1SC[C@@H](C)C[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000180445469 822683362 /nfs/dbraw/zinc/68/33/62/822683362.db2.gz LYUKRJWFERAJMV-DLBZAZTESA-N 1 0 382.533 4.355 20 0 GIADRO C[N@H+](CCCCNC(=O)N1CCC(c2ccccc2C(F)(F)F)CC1)C1CC1 ZINC000455607130 822683450 /nfs/dbraw/zinc/68/34/50/822683450.db2.gz IXEMRHOWIYSEQF-UHFFFAOYSA-N 1 0 397.485 4.469 20 0 GIADRO CC(=O)Nc1cccc(OCC[NH2+][C@@H](C)c2cc(Br)ccc2F)c1 ZINC000180448549 822684038 /nfs/dbraw/zinc/68/40/38/822684038.db2.gz CWYCLOICYNPGDN-LBPRGKRZSA-N 1 0 395.272 4.276 20 0 GIADRO CC(=O)Nc1cccc(OCC[NH2+][C@@H]2CC3(CCCC3)Oc3ccccc32)c1 ZINC000180448453 822684049 /nfs/dbraw/zinc/68/40/49/822684049.db2.gz OPJKVLBUYLBVFA-OAQYLSRUSA-N 1 0 380.488 4.450 20 0 GIADRO Cc1nn(-c2ccccc2)cc1CCC[NH2+]Cc1c(Cl)n(C)nc1C(C)C ZINC000048815487 822684244 /nfs/dbraw/zinc/68/42/44/822684244.db2.gz LYFUWGZJOLJJPJ-UHFFFAOYSA-N 1 0 385.943 4.413 20 0 GIADRO O=C(CCC[NH2+]Cc1csc(-c2ccccn2)n1)Nc1ccc(Cl)cc1 ZINC000048824970 822684685 /nfs/dbraw/zinc/68/46/85/822684685.db2.gz JQTQAUSXNLNKCU-UHFFFAOYSA-N 1 0 386.908 4.367 20 0 GIADRO CC1(C(=O)N2CCO[C@@H](c3ccccc3F)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000184742934 822684934 /nfs/dbraw/zinc/68/49/34/822684934.db2.gz WMIPMKKIAFYJKN-JOCHJYFZSA-N 1 0 396.506 4.028 20 0 GIADRO COCc1ccccc1CNC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000048826185 822684993 /nfs/dbraw/zinc/68/49/93/822684993.db2.gz RVFWQVDWGYBQCN-LJQANCHMSA-N 1 0 395.547 4.207 20 0 GIADRO CCOCc1ccccc1CNC(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000048828764 822685205 /nfs/dbraw/zinc/68/52/05/822685205.db2.gz KOUWBODMRNQLAJ-UHFFFAOYSA-N 1 0 383.536 4.063 20 0 GIADRO O=C(N[C@H](c1ccccc1)C(F)F)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000455623226 822685658 /nfs/dbraw/zinc/68/56/58/822685658.db2.gz MEJQPCHPKZBNKG-NJDAHSKKSA-N 1 0 399.485 4.156 20 0 GIADRO O=C(NNc1cc[nH+]cc1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000180458336 822685924 /nfs/dbraw/zinc/68/59/24/822685924.db2.gz KLTVSAGLKPIVNU-UHFFFAOYSA-N 1 0 397.822 4.012 20 0 GIADRO C[C@@H]([NH2+]CCCc1cccc(Cl)c1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000180462375 822686424 /nfs/dbraw/zinc/68/64/24/822686424.db2.gz AGHSITWUAHMTLI-MRXNPFEDSA-N 1 0 392.952 4.163 20 0 GIADRO CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+]CCc2cccc3ccccc32)C1 ZINC000180466178 822687088 /nfs/dbraw/zinc/68/70/88/822687088.db2.gz ZMQCQJRJOARJHO-UHFFFAOYSA-N 1 0 397.515 4.024 20 0 GIADRO O=C(Nc1cc(Cl)ccc1OC(F)(F)F)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000455634234 822687568 /nfs/dbraw/zinc/68/75/68/822687568.db2.gz DHYGCXLIILBBKZ-LBPRGKRZSA-N 1 0 391.821 4.188 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N[C@H](c1ccccc1)C(F)F ZINC000455641014 822689349 /nfs/dbraw/zinc/68/93/49/822689349.db2.gz HFBHPVHBKKFWBO-NSISKUIASA-N 1 0 387.474 4.203 20 0 GIADRO C[NH+](C)CCn1nccc1NC(=O)N[C@@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000455645470 822690141 /nfs/dbraw/zinc/69/01/41/822690141.db2.gz HYVDKDNMWCBGRT-QGZVFWFLSA-N 1 0 396.322 4.024 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)[C@H]2C[C@@H]2c2cc(F)c(F)c(F)c2)CC1 ZINC000184783676 822690280 /nfs/dbraw/zinc/69/02/80/822690280.db2.gz PGCFNDPGXVVKII-SJORKVTESA-N 1 0 382.470 4.178 20 0 GIADRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]C[C@H](O)c3ccc(C#N)cc3)s2)cc1 ZINC000184787936 822690949 /nfs/dbraw/zinc/69/09/49/822690949.db2.gz UKZBYDQTBGVJEB-XOBRGWDASA-N 1 0 393.512 4.383 20 0 GIADRO CC(C)(C)OC(=O)N1CC[C@@H](CC[NH2+][C@@H](c2ccccc2)c2ccccn2)C1 ZINC000180498971 822691358 /nfs/dbraw/zinc/69/13/58/822691358.db2.gz DKMNQKAFODPZMO-NQIIRXRSSA-N 1 0 381.520 4.408 20 0 GIADRO COCCOc1ccc([C@H](C)[NH2+]Cc2cc(Br)ccc2OC)cc1 ZINC000180504199 822692331 /nfs/dbraw/zinc/69/23/31/822692331.db2.gz KQKHHNBMZLELDZ-AWEZNQCLSA-N 1 0 394.309 4.334 20 0 GIADRO O[C@@H](C[C@@H]1CCC[N@@H+]1Cc1ccc(Oc2cnccn2)cc1)c1cccs1 ZINC000180507686 822693306 /nfs/dbraw/zinc/69/33/06/822693306.db2.gz AVXXMOQEUPFDML-HKUYNNGSSA-N 1 0 381.501 4.419 20 0 GIADRO C[C@H]([NH2+]C(C)(C)CNC(=O)Nc1ccc([C@@H]2CCOC2)cc1)c1ccccc1 ZINC000455663136 822694479 /nfs/dbraw/zinc/69/44/79/822694479.db2.gz LEOBMISYDFHPEL-FXAWDEMLSA-N 1 0 381.520 4.441 20 0 GIADRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)Nc1ccc([C@@H]2CCOC2)cc1 ZINC000455665298 822695121 /nfs/dbraw/zinc/69/51/21/822695121.db2.gz OQSOVEGYZZRNPL-HXUWFJFHSA-N 1 0 381.520 4.223 20 0 GIADRO Cn1cc([C@H]([NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)c2cccc(F)c2)cn1 ZINC000180519551 822695252 /nfs/dbraw/zinc/69/52/52/822695252.db2.gz AIQZKODFKRVYGW-RBUKOAKNSA-N 1 0 394.277 4.279 20 0 GIADRO C[C@H](c1ccc(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)cc1)C(F)(F)F ZINC000455666726 822695497 /nfs/dbraw/zinc/69/54/97/822695497.db2.gz OJFSHPHPPBDKFI-CYBMUJFWSA-N 1 0 382.401 4.483 20 0 GIADRO COc1cccc(F)c1[C@@H](C)NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000184821657 822695594 /nfs/dbraw/zinc/69/55/94/822695594.db2.gz FSXCCEBMZMGNJZ-QGZVFWFLSA-N 1 0 384.495 4.314 20 0 GIADRO CSCc1ccccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000184821722 822695620 /nfs/dbraw/zinc/69/56/20/822695620.db2.gz WPJPQEZILGYPOY-UHFFFAOYSA-N 1 0 393.503 4.424 20 0 GIADRO COc1ccc(C(=O)Nc2cccc(CNc3cccc(N(C)C)[nH+]3)c2)cc1 ZINC000180526645 822696505 /nfs/dbraw/zinc/69/65/05/822696505.db2.gz LCEWJWVEIRSNPB-UHFFFAOYSA-N 1 0 376.460 4.021 20 0 GIADRO COc1cc([C@@H](C)[NH2+]Cc2cccc(OCC(F)F)c2)cc(OC)c1OC ZINC000180528898 822696681 /nfs/dbraw/zinc/69/66/81/822696681.db2.gz SDHUDWFDYPMAEA-CYBMUJFWSA-N 1 0 381.419 4.207 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Cc1c[nH]c2ccccc12)c1cccc(C(F)(F)F)c1 ZINC000184833973 822697408 /nfs/dbraw/zinc/69/74/08/822697408.db2.gz VQKSPCNWRMEJBN-IBGZPJMESA-N 1 0 389.421 4.148 20 0 GIADRO Cc1nc(C)c([C@@H](C)[NH2+]C[C@H](c2cccc(Cl)c2)N2CCOCC2)s1 ZINC000180535488 822698106 /nfs/dbraw/zinc/69/81/06/822698106.db2.gz YSGOAEZBKCSOIW-FZKQIMNGSA-N 1 0 379.957 4.137 20 0 GIADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2O)C1 ZINC000180537123 822698270 /nfs/dbraw/zinc/69/82/70/822698270.db2.gz LSEIPBMOCTXGBG-GJZGRUSLSA-N 1 0 384.442 4.138 20 0 GIADRO CC(C)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(Br)cc1Br ZINC000049442722 822700611 /nfs/dbraw/zinc/70/06/11/822700611.db2.gz NKAOKLUWJIXJIH-JTQLQIEISA-N 1 0 392.135 4.126 20 0 GIADRO Nc1ccc(F)c(NC(=O)CC[NH2+][C@@H](CC(F)(F)F)c2ccc(F)cc2)c1 ZINC000180553689 822701244 /nfs/dbraw/zinc/70/12/44/822701244.db2.gz GJIWIJSWEFZBRR-INIZCTEOSA-N 1 0 387.352 4.159 20 0 GIADRO CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@@H](c1nc(C)cs1)C(F)(F)F ZINC000455687703 822701753 /nfs/dbraw/zinc/70/17/53/822701753.db2.gz QBLSUZJZOKUZEX-AWEZNQCLSA-N 1 0 394.507 4.064 20 0 GIADRO Cc1ccc(-n2c(=O)c3ccccc3nc2SCC[C@H]2CCCC[N@H+]2C)nc1 ZINC000049581451 822701836 /nfs/dbraw/zinc/70/18/36/822701836.db2.gz IUDBSNFDDLQPOZ-QGZVFWFLSA-N 1 0 394.544 4.056 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(N[C@@H](c2cnn(C)c2)c2cccc(F)c2)CC1 ZINC000180559461 822702425 /nfs/dbraw/zinc/70/24/25/822702425.db2.gz DWANMPPZUXQYIL-MHECFPHRSA-N 1 0 392.522 4.464 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)COCCOc1ccccc1)C1CCCCC1 ZINC000049634755 822703220 /nfs/dbraw/zinc/70/32/20/822703220.db2.gz JQTZPIYAXZGEFS-UHFFFAOYSA-N 1 0 396.531 4.485 20 0 GIADRO COc1ccc([C@@H]([NH2+]C[C@@H](O)c2cc(OC)cc(OC)c2)c2ccccc2)cc1 ZINC000180572769 822704619 /nfs/dbraw/zinc/70/46/19/822704619.db2.gz KOTIBZQSLCPUPG-RPWUZVMVSA-N 1 0 393.483 4.125 20 0 GIADRO Cn1cc([C@@H]([NH2+]C[C@@H](O)c2cc(Cl)cc(Cl)c2)c2cccc(F)c2)cn1 ZINC000180573519 822704899 /nfs/dbraw/zinc/70/48/99/822704899.db2.gz WWJOVZTYULGNSN-MOPGFXCFSA-N 1 0 394.277 4.279 20 0 GIADRO Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000049695983 822705827 /nfs/dbraw/zinc/70/58/27/822705827.db2.gz HCEZTHRMPICBJV-UHFFFAOYSA-N 1 0 396.922 4.385 20 0 GIADRO O[C@H](C[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1)COc1cccc2[nH]ccc21 ZINC000180580845 822705875 /nfs/dbraw/zinc/70/58/75/822705875.db2.gz ZBBJXIUZRDUOAK-CRAIPNDOSA-N 1 0 396.384 4.330 20 0 GIADRO CCCN(CC[NH+](CC)CC)C(=O)Nc1ccc(N(C(C)=O)[C@@H]2C[C@H]2C)cc1 ZINC000455701792 822706677 /nfs/dbraw/zinc/70/66/77/822706677.db2.gz OUVAEHSHKXRWPT-DYESRHJHSA-N 1 0 388.556 4.034 20 0 GIADRO CCOc1cc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)cc(Cl)c1OC ZINC000180600858 822709103 /nfs/dbraw/zinc/70/91/03/822709103.db2.gz YJTNXEWIBLXTSR-RDJZCZTQSA-N 1 0 379.884 4.428 20 0 GIADRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)Nc3ccccc3OCCF)C2)CC1 ZINC000455708509 822709156 /nfs/dbraw/zinc/70/91/56/822709156.db2.gz ABLJHWAWITYLOY-SFHVURJKSA-N 1 0 377.504 4.011 20 0 GIADRO COC(=O)COc1ccc(C[N@H+](C)Cn2ccc(=S)c3ccccc32)cc1 ZINC000184898324 822709596 /nfs/dbraw/zinc/70/95/96/822709596.db2.gz XSAVYRCAUAWTQP-UHFFFAOYSA-N 1 0 382.485 4.012 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)N1CCC[C@@H]1c1cccs1)[NH+]1CCCC1 ZINC000049790296 822709840 /nfs/dbraw/zinc/70/98/40/822709840.db2.gz QQWIMDVGLKLGBV-RTBURBONSA-N 1 0 399.560 4.440 20 0 GIADRO COc1cccc([C@H](CNC(=O)N(C)[C@H](C)c2cc3ccccc3o2)[NH+](C)C)c1 ZINC000049798623 822710219 /nfs/dbraw/zinc/71/02/19/822710219.db2.gz UYBBVHAIRNVXBZ-UZLBHIALSA-N 1 0 395.503 4.447 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)c1ccccc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000180605510 822710546 /nfs/dbraw/zinc/71/05/46/822710546.db2.gz JXUFQLGLFUQNNM-AOMKIAJQSA-N 1 0 378.447 4.462 20 0 GIADRO C[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C[C@@H]1n1ccnc1 ZINC000180607985 822711190 /nfs/dbraw/zinc/71/11/90/822711190.db2.gz MHXLCAVCWGFTOY-UXPWSPDFSA-N 1 0 389.927 4.177 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)N[C@@H]3CCSc4ccccc43)c2)CC1 ZINC000184912139 822712207 /nfs/dbraw/zinc/71/22/07/822712207.db2.gz LLOMZBLMVQUSPB-HXUWFJFHSA-N 1 0 396.560 4.187 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)c(CC(=O)NC[C@H](c2cccs2)[NH+](C)C)s1 ZINC000049958665 822712748 /nfs/dbraw/zinc/71/27/48/822712748.db2.gz WKUGNRCLNWBYEK-QGZVFWFLSA-N 1 0 399.585 4.450 20 0 GIADRO O=C(CN1CC[NH+](CC2CCCCC2)CC1)Nc1cc(Cl)ccc1Cl ZINC000049981804 822713105 /nfs/dbraw/zinc/71/31/05/822713105.db2.gz FAWNCQASGLXZDS-UHFFFAOYSA-N 1 0 384.351 4.130 20 0 GIADRO Cn1cc(NC(=O)NCCCCC[NH+]2CCCCC2)c(C2CCCCC2)n1 ZINC000455721549 822713461 /nfs/dbraw/zinc/71/34/61/822713461.db2.gz WGONXNFKNSTYKH-UHFFFAOYSA-N 1 0 375.561 4.246 20 0 GIADRO O=C(Nc1ccccc1OCCF)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000455722029 822713617 /nfs/dbraw/zinc/71/36/17/822713617.db2.gz ZVJJFUDMIAUQFH-IHWFROFDSA-N 1 0 397.494 4.352 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Nc1cn(C)nc1C1CCCCC1)c1ccco1 ZINC000455723287 822713770 /nfs/dbraw/zinc/71/37/70/822713770.db2.gz ZODQMZFRPWMYSJ-GOSISDBHSA-N 1 0 387.528 4.265 20 0 GIADRO COc1ccc(C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)c(OC)c1OC ZINC000180619313 822713866 /nfs/dbraw/zinc/71/38/66/822713866.db2.gz RBMLOMABBKETLM-MSOLQXFVSA-N 1 0 389.492 4.174 20 0 GIADRO COc1ccc(C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)c(OC)c1OC ZINC000180619331 822713884 /nfs/dbraw/zinc/71/38/84/822713884.db2.gz RBMLOMABBKETLM-ROUUACIJSA-N 1 0 389.492 4.174 20 0 GIADRO C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000184925046 822714010 /nfs/dbraw/zinc/71/40/10/822714010.db2.gz XKUAIZLKYSTDEC-LPHOPBHVSA-N 1 0 376.928 4.026 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cccc3cc(C(=O)OC)sc32)C[C@@H]1C ZINC000455724079 822713988 /nfs/dbraw/zinc/71/39/88/822713988.db2.gz ZSNFQNBFBKZRGF-DZGCQCFKSA-N 1 0 389.521 4.024 20 0 GIADRO CCc1ccc(-c2noc(CN[C@@H](CC)c3ccc4c(c3)OCCO4)n2)cc1 ZINC000180623756 822714749 /nfs/dbraw/zinc/71/47/49/822714749.db2.gz NMFGJSZAMSVBID-SFHVURJKSA-N 1 0 379.460 4.311 20 0 GIADRO COc1ccc([C@H]2CCCN2C(=O)c2cccc(C[NH+]3CCCC3)c2)c(OC)c1 ZINC000050027178 822714804 /nfs/dbraw/zinc/71/48/04/822714804.db2.gz LXEYHWSVFARIEF-JOCHJYFZSA-N 1 0 394.515 4.277 20 0 GIADRO C[C@H](NC(=O)Nc1ccccc1OCCF)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000455727317 822715163 /nfs/dbraw/zinc/71/51/63/822715163.db2.gz WIFXEUMJFWFBSO-PKOBYXMFSA-N 1 0 385.483 4.067 20 0 GIADRO Cc1cc(Cl)c(NC(=O)N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1C ZINC000455733424 822716622 /nfs/dbraw/zinc/71/66/22/822716622.db2.gz OAMQFVVMVRVHMQ-IRXDYDNUSA-N 1 0 393.959 4.310 20 0 GIADRO Cc1nc(C(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)c(-c2ccccc2)o1 ZINC000184945629 822716764 /nfs/dbraw/zinc/71/67/64/822716764.db2.gz IGDZEDKEPUBGHU-UHFFFAOYSA-N 1 0 388.471 4.419 20 0 GIADRO CCn1ncc2ccc(NC(=O)NC[C@@H]3CCC[N@H+](Cc4cccs4)C3)cc21 ZINC000050060383 822716859 /nfs/dbraw/zinc/71/68/59/822716859.db2.gz BPSNIGLJOAWLHU-INIZCTEOSA-N 1 0 397.548 4.151 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)Nc2nc(CC(F)(F)F)cs2)C[N@@H+]1Cc1ccccc1 ZINC000455735551 822717014 /nfs/dbraw/zinc/71/70/14/822717014.db2.gz YDABLLGOSWKNDC-TZMCWYRMSA-N 1 0 398.454 4.032 20 0 GIADRO C[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1Cl)c1ccc(NC(=O)C2CC2)cc1 ZINC000184957063 822718196 /nfs/dbraw/zinc/71/81/96/822718196.db2.gz JBROALPCMGYKBZ-BLVKFPJESA-N 1 0 376.859 4.212 20 0 GIADRO COc1cc(C)c(Br)cc1NC1CC[NH+](Cc2ccncc2)CC1 ZINC000184956058 822718231 /nfs/dbraw/zinc/71/82/31/822718231.db2.gz HZQFIVQBXFQCLL-UHFFFAOYSA-N 1 0 390.325 4.238 20 0 GIADRO Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]Cc1cc(=O)n2ccsc2n1 ZINC000184965279 822719332 /nfs/dbraw/zinc/71/93/32/822719332.db2.gz IUFZUWNUUYRPRY-QGZVFWFLSA-N 1 0 381.526 4.200 20 0 GIADRO CC(=O)c1cccc(NC(=O)C[NH2+][C@H](Cc2ccccc2)c2cccs2)c1 ZINC000184969166 822719619 /nfs/dbraw/zinc/71/96/19/822719619.db2.gz BJAQGHJTHGIHDA-HXUWFJFHSA-N 1 0 378.497 4.463 20 0 GIADRO COc1ccc(OC)c([C@H]2CCCN2C(=O)C[N@H+](C)[C@H](C)c2ccccc2)c1 ZINC000050275367 822723493 /nfs/dbraw/zinc/72/34/93/822723493.db2.gz GJYHWMSMMCDXIG-DYESRHJHSA-N 1 0 382.504 4.060 20 0 GIADRO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+][C@H]2CCSc3c(F)cccc32)cc1 ZINC000185004662 822724292 /nfs/dbraw/zinc/72/42/92/822724292.db2.gz HFGCTEHVDTWNRB-KDOFPFPSSA-N 1 0 379.522 4.123 20 0 GIADRO CN(CCC[NH+](C)C)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)nc1 ZINC000185026403 822726892 /nfs/dbraw/zinc/72/68/92/822726892.db2.gz PKFPPPDZLIXWJB-UHFFFAOYSA-N 1 0 396.413 4.308 20 0 GIADRO O=C(CCCOCc1ccccc1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000050357173 822727298 /nfs/dbraw/zinc/72/72/98/822727298.db2.gz KEKLRZBONGLUNX-UHFFFAOYSA-N 1 0 384.545 4.171 20 0 GIADRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)CCCOCc1ccccc1 ZINC000050357208 822727338 /nfs/dbraw/zinc/72/73/38/822727338.db2.gz XGUDYNOWFNIEEW-UHFFFAOYSA-N 1 0 398.572 4.479 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)Nc2cnn(CCC)c2C2CC2)CC1 ZINC000455830935 822733427 /nfs/dbraw/zinc/73/34/27/822733427.db2.gz NXLTZDMFKOBHFZ-UHFFFAOYSA-N 1 0 375.561 4.146 20 0 GIADRO CCCn1ncc(NC(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c1C1CC1 ZINC000455836608 822734251 /nfs/dbraw/zinc/73/42/51/822734251.db2.gz USFPBBBDQNVPDK-QFBILLFUSA-N 1 0 381.524 4.128 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N[C@@H](CCO)c3ccc(Cl)cc3)ccc21 ZINC000455837632 822734604 /nfs/dbraw/zinc/73/46/04/822734604.db2.gz BPHWWDWZBKJAEV-VQTJNVASSA-N 1 0 387.911 4.134 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CC[C@@H](COc4ccccc4)C3)ccc21 ZINC000455840336 822735103 /nfs/dbraw/zinc/73/51/03/822735103.db2.gz DHOOPRULFWCHGP-VGSWGCGISA-N 1 0 379.504 4.168 20 0 GIADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cnc(-c3ccccc3Cl)s2)C1 ZINC000050629012 822735138 /nfs/dbraw/zinc/73/51/38/822735138.db2.gz DDFMPCOFUVFKSY-CQSZACIVSA-N 1 0 377.941 4.314 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCCc3cc(C(F)(F)F)ccn3)ccc21 ZINC000455841672 822735407 /nfs/dbraw/zinc/73/54/07/822735407.db2.gz FBLXEMPOTUKMGU-GOSISDBHSA-N 1 0 392.425 4.014 20 0 GIADRO C[C@H](NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)[C@H]1OCCc2sccc21 ZINC000455841795 822735411 /nfs/dbraw/zinc/73/54/11/822735411.db2.gz FJEDTRRTOYUHTH-CYFNAFFESA-N 1 0 385.533 4.121 20 0 GIADRO Cc1c(Br)scc1C(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000185089635 822735482 /nfs/dbraw/zinc/73/54/82/822735482.db2.gz CPSIHVSHNSCAJM-UHFFFAOYSA-N 1 0 397.338 4.149 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCC(F)(c4cccnc4)CC3)ccc21 ZINC000455845575 822735990 /nfs/dbraw/zinc/73/59/90/822735990.db2.gz HRBZGQIEBLAYKV-HXUWFJFHSA-N 1 0 382.483 4.123 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CCO[C@@H](c4cccc(Cl)c4)C3)ccc21 ZINC000455846280 822736142 /nfs/dbraw/zinc/73/61/42/822736142.db2.gz IENYVNQWUXCTPJ-LEWJYISDSA-N 1 0 399.922 4.494 20 0 GIADRO O=C(NCCCCOCc1ccccc1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000050689103 822736292 /nfs/dbraw/zinc/73/62/92/822736292.db2.gz CZKUJELERLXAJD-JOCHJYFZSA-N 1 0 398.522 4.151 20 0 GIADRO COc1cc2c(cc1F)CC[C@H]2NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455858209 822738303 /nfs/dbraw/zinc/73/83/03/822738303.db2.gz PAQVANWSDDEMOB-WOJBJXKFSA-N 1 0 383.467 4.192 20 0 GIADRO CN1CCC([NH+]2CCC(NC(=O)c3ccc(C4CCCCC4)cc3)CC2)CC1 ZINC000050802631 822739074 /nfs/dbraw/zinc/73/90/74/822739074.db2.gz DOYOHGIWKXJHSN-UHFFFAOYSA-N 1 0 383.580 4.023 20 0 GIADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(CSCC)cc2)[C@H](C)C1 ZINC000455864399 822739268 /nfs/dbraw/zinc/73/92/68/822739268.db2.gz RAAQSCXTOVXVON-XLIONFOSSA-N 1 0 393.597 4.198 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N[C@@H]3CCc4cc(F)c(F)c(F)c43)ccc21 ZINC000455870337 822740134 /nfs/dbraw/zinc/74/01/34/822740134.db2.gz XGWQLGSJBHJAKY-IAGOWNOFSA-N 1 0 389.421 4.462 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CC[C@](F)(c4ccccc4F)C3)ccc21 ZINC000455869913 822740167 /nfs/dbraw/zinc/74/01/67/822740167.db2.gz WUIVWWATSXQUJR-RBBKRZOGSA-N 1 0 385.458 4.477 20 0 GIADRO COc1ccccc1OC[C@@H](C)CNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455875251 822740923 /nfs/dbraw/zinc/74/09/23/822740923.db2.gz AVPAVFRVKDWTPU-JXFKEZNVSA-N 1 0 397.519 4.081 20 0 GIADRO Cc1ccccc1-c1ccc(Cl)c(C(=O)N2CC[NH+](C3CCOCC3)CC2)c1 ZINC000455877406 822741183 /nfs/dbraw/zinc/74/11/83/822741183.db2.gz FIJCZQLFFOIZQP-UHFFFAOYSA-N 1 0 398.934 4.252 20 0 GIADRO Cc1nn(C)c(N2CCOCC2)c1C[NH2+][C@@H](C)c1ccc(Cl)c2ccccc21 ZINC000185136641 822741444 /nfs/dbraw/zinc/74/14/44/822741444.db2.gz LVQWFNWTIUWOLI-HNNXBMFYSA-N 1 0 398.938 4.223 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)NCc3cccc(OCC(F)F)c3)ccc21 ZINC000455897935 822744402 /nfs/dbraw/zinc/74/44/02/822744402.db2.gz DYAMMEJGLVIAHP-IBGZPJMESA-N 1 0 389.446 4.201 20 0 GIADRO COc1ccccc1C[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455902871 822745452 /nfs/dbraw/zinc/74/54/52/822745452.db2.gz GKUSGDVVIBATSD-UNMCSNQZSA-N 1 0 393.531 4.483 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC[C@@H]3CCN(c4ccc(F)cc4)C3)ccc21 ZINC000455906969 822746582 /nfs/dbraw/zinc/74/65/82/822746582.db2.gz HVJFZBTVACNHMA-KSFYIVLOSA-N 1 0 396.510 4.023 20 0 GIADRO CC(C)c1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000185189869 822747417 /nfs/dbraw/zinc/74/74/17/822747417.db2.gz LPNILWDEXBYVGH-DNVCBOLYSA-N 1 0 389.540 4.030 20 0 GIADRO C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133016 822747573 /nfs/dbraw/zinc/74/75/73/822747573.db2.gz MCMUYZSNORYVMV-OXFYSEKESA-N 1 0 387.911 4.162 20 0 GIADRO C[C@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cn(C)c2ccccc12 ZINC000185200163 822748651 /nfs/dbraw/zinc/74/86/51/822748651.db2.gz JUVBOGGVEIRPIO-ROUUACIJSA-N 1 0 395.572 4.372 20 0 GIADRO CC(C)[C@@H](NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)c1nc(C2CC2)no1 ZINC000455916894 822748863 /nfs/dbraw/zinc/74/88/63/822748863.db2.gz KSDNPKBOPMJMTG-ZWKOTPCHSA-N 1 0 383.496 4.015 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CCC(Oc4ccc(F)cc4)CC3)ccc21 ZINC000455918341 822749195 /nfs/dbraw/zinc/74/91/95/822749195.db2.gz LBNLMFAIAZUJMS-QFIPXVFZSA-N 1 0 397.494 4.450 20 0 GIADRO FC(F)(F)c1ccccc1N1CC[C@@H]([NH2+]Cc2ccc(N3CCCC3)nc2)C1 ZINC000185205295 822749323 /nfs/dbraw/zinc/74/93/23/822749323.db2.gz FANSCXYYQWSHPI-QGZVFWFLSA-N 1 0 390.453 4.069 20 0 GIADRO c1csc(-c2nn(Cc3ccccc3)cc2C[NH2+]CCc2nccs2)c1 ZINC000051189600 822749879 /nfs/dbraw/zinc/74/98/79/822749879.db2.gz TWIRULHIJKOACY-UHFFFAOYSA-N 1 0 380.542 4.449 20 0 GIADRO CO[C@H](CNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)c1ccc(Cl)cc1 ZINC000455923529 822750267 /nfs/dbraw/zinc/75/02/67/822750267.db2.gz MJSQCMVINGEPCB-WOJBJXKFSA-N 1 0 387.911 4.398 20 0 GIADRO CO[C@H](CNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)c1cccc(Cl)c1 ZINC000455925168 822750512 /nfs/dbraw/zinc/75/05/12/822750512.db2.gz MXGDJBUVXIOTGG-WOJBJXKFSA-N 1 0 387.911 4.398 20 0 GIADRO Cc1oc(-c2cccs2)nc1C[NH2+][C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000185219398 822750725 /nfs/dbraw/zinc/75/07/25/822750725.db2.gz LVKCZDRLGPMSFZ-OAHLLOKOSA-N 1 0 377.510 4.104 20 0 GIADRO Cc1cc([C@H]2CN(C(=O)Nc3ccc4c(c3)CC[C@@H]4[NH+](C)C)CCO2)ccc1F ZINC000455933193 822752315 /nfs/dbraw/zinc/75/23/15/822752315.db2.gz QJLPJOADSJVHDU-FCHUYYIVSA-N 1 0 397.494 4.288 20 0 GIADRO C[C@H]1CC[C@@H](N(C)C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)C1 ZINC000455934747 822752664 /nfs/dbraw/zinc/75/26/64/822752664.db2.gz ACWRAMJFFGHTGV-GOEBONIOSA-N 1 0 379.932 4.465 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CC[C@@H](Cc4ccc(F)cc4)C3)ccc21 ZINC000455935199 822752778 /nfs/dbraw/zinc/75/27/78/822752778.db2.gz RJEBPTLWTUQSSI-HTAPYJJXSA-N 1 0 381.495 4.471 20 0 GIADRO C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455939765 822753652 /nfs/dbraw/zinc/75/36/52/822753652.db2.gz SZNDFAMNKNLDQL-DRNQYWASSA-N 1 0 399.560 4.198 20 0 GIADRO Cc1occc1CN(C)C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000455942208 822754432 /nfs/dbraw/zinc/75/44/32/822754432.db2.gz KBTWPBCMOZQDQH-UHFFFAOYSA-N 1 0 391.899 4.378 20 0 GIADRO Cc1cc2ncn(C[C@H](O)C[N@@H+](C)[C@@H](C)c3nc4ccccc4s3)c2cc1C ZINC000051286578 822754491 /nfs/dbraw/zinc/75/44/91/822754491.db2.gz GEMTXHINKGSQPC-DLBZAZTESA-N 1 0 394.544 4.317 20 0 GIADRO COc1ccc(C[C@H](C)NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)cc1OC ZINC000455945532 822755401 /nfs/dbraw/zinc/75/54/01/822755401.db2.gz WEQBSALFOXRUAR-MGPUTAFESA-N 1 0 397.519 4.005 20 0 GIADRO COc1ccc(C[C@H](C)C[N@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)cc1F ZINC000185256111 822755397 /nfs/dbraw/zinc/75/53/97/822755397.db2.gz PPNCLJIEYGUKKY-JUYBDXISSA-N 1 0 377.525 4.443 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CCC[C@H]3c3ccc4c(c3)OCO4)ccc21 ZINC000455946667 822755768 /nfs/dbraw/zinc/75/57/68/822755768.db2.gz WZVHGRRPJNURIG-PMACEKPBSA-N 1 0 393.487 4.333 20 0 GIADRO CC[C@@H](C(=O)N1CCC([NH2+][C@H](C)c2cc(F)ccc2O)CC1)c1ccccc1 ZINC000185260192 822756096 /nfs/dbraw/zinc/75/60/96/822756096.db2.gz JKHRJQYKKMNDIK-OXQOHEQNSA-N 1 0 384.495 4.367 20 0 GIADRO CSCCCCNC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000455947337 822756099 /nfs/dbraw/zinc/75/60/99/822756099.db2.gz RLKISPQNJCNFOV-UHFFFAOYSA-N 1 0 385.961 4.078 20 0 GIADRO CC[C@@H]1CN(C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)CCS1 ZINC000455949346 822756366 /nfs/dbraw/zinc/75/63/66/822756366.db2.gz WHLNKGKOIRYWQE-MRXNPFEDSA-N 1 0 397.972 4.172 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)N2CC[C@H](CC3CC3)C2)CC1 ZINC000455949380 822756375 /nfs/dbraw/zinc/75/63/75/822756375.db2.gz WOICXEGVMDNZBR-MRXNPFEDSA-N 1 0 391.943 4.467 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)N2CCC[C@@H]2C(F)F)CC1 ZINC000455950653 822756688 /nfs/dbraw/zinc/75/66/88/822756688.db2.gz YAFBVNPVBVLQRV-OAHLLOKOSA-N 1 0 387.858 4.074 20 0 GIADRO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000185268725 822757269 /nfs/dbraw/zinc/75/72/69/822757269.db2.gz ZXMMIRFFWSALTD-UHFFFAOYSA-N 1 0 384.867 4.400 20 0 GIADRO Fc1cc(C[NH2+][C@@H](c2cccs2)C2CCCC2)cnc1N1CCOCC1 ZINC000185279626 822758746 /nfs/dbraw/zinc/75/87/46/822758746.db2.gz GNQIGZFUMUBWGO-LJQANCHMSA-N 1 0 375.513 4.140 20 0 GIADRO Fc1ccc([C@@H]([NH2+]Cc2cnc(N3CCOCC3)c(F)c2)C2CCCC2)cc1 ZINC000185279051 822758763 /nfs/dbraw/zinc/75/87/63/822758763.db2.gz FRPLJTISPLXRGY-NRFANRHFSA-N 1 0 387.474 4.218 20 0 GIADRO O=C([C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000185284924 822759556 /nfs/dbraw/zinc/75/95/56/822759556.db2.gz NSNSEKMRCQBXAM-ZWKOTPCHSA-N 1 0 394.481 4.322 20 0 GIADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Nc1ccc2cnccc2c1 ZINC000455983248 822761574 /nfs/dbraw/zinc/76/15/74/822761574.db2.gz NZQYHESBKDIMQA-UHFFFAOYSA-N 1 0 382.430 4.363 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000174276631 822761617 /nfs/dbraw/zinc/76/16/17/822761617.db2.gz DGBFTOPIBGQHDG-HFTRVMKXSA-N 1 0 386.565 4.304 20 0 GIADRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)Nc1c(F)cc(F)cc1F ZINC000174280418 822762183 /nfs/dbraw/zinc/76/21/83/822762183.db2.gz WUQJGGFRQZCDDB-UHFFFAOYSA-N 1 0 383.439 4.199 20 0 GIADRO CN1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000185311638 822763837 /nfs/dbraw/zinc/76/38/37/822763837.db2.gz RTQYSZGZIVMFRX-AEFFLSMTSA-N 1 0 381.810 4.061 20 0 GIADRO CCOc1ccc(-c2nc(C[N@H+](C)[C@H](CO)CC(C)C)cs2)cc1OC ZINC000185315234 822764686 /nfs/dbraw/zinc/76/46/86/822764686.db2.gz FAIIHWIUIFDNET-KRWDZBQOSA-N 1 0 378.538 4.056 20 0 GIADRO Cc1csc([C@@H](NC(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C2CC2)n1 ZINC000174292676 822764835 /nfs/dbraw/zinc/76/48/35/822764835.db2.gz OVWAWJBOZUYOHB-PMACEKPBSA-N 1 0 398.576 4.209 20 0 GIADRO CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3ccc([N+](=O)[O-])c(Cl)c3)ccc2NC1=O ZINC000185318449 822765115 /nfs/dbraw/zinc/76/51/15/822765115.db2.gz HHZSYJKSZZNSAO-APPDUMDISA-N 1 0 389.839 4.209 20 0 GIADRO CCOc1ccccc1NC(=O)[C@H](NC1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000174295440 822765658 /nfs/dbraw/zinc/76/56/58/822765658.db2.gz XPKFYEHZJHOVCZ-HSZRJFAPSA-N 1 0 395.547 4.228 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc2c(c1)OCCCO2)c1ccc(Br)cc1O ZINC000185323475 822766052 /nfs/dbraw/zinc/76/60/52/822766052.db2.gz WIVGWCCCZCUGCY-GFCCVEGCSA-N 1 0 378.266 4.167 20 0 GIADRO CC[N@H+](CCNC(=O)c1ccc([C@H](C)C(F)(F)F)cc1)CCC(F)(F)F ZINC000456017831 822766999 /nfs/dbraw/zinc/76/69/99/822766999.db2.gz DQAVHFFDZKDPOI-LBPRGKRZSA-N 1 0 384.364 4.357 20 0 GIADRO C[C@H](CCOc1ccccc1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000174305903 822768117 /nfs/dbraw/zinc/76/81/17/822768117.db2.gz WXKDCTQNRCNLRF-SNWXZZBVSA-N 1 0 392.543 4.403 20 0 GIADRO CCOc1ccc(Cl)c(NC(=O)c2ccc(N3CC[NH+](CC)CC3)cc2)c1 ZINC000456043012 822770004 /nfs/dbraw/zinc/77/00/04/822770004.db2.gz IRHQOANVQDYBAR-UHFFFAOYSA-N 1 0 387.911 4.133 20 0 GIADRO COc1ccc([C@H](Cc2ccccc2C)[NH2+]Cc2ccc(CO)o2)cc1OC ZINC000174321577 822770651 /nfs/dbraw/zinc/77/06/51/822770651.db2.gz IVLDDLZIEVECKM-NRFANRHFSA-N 1 0 381.472 4.171 20 0 GIADRO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)NCc2cccc(COC(C)C)c2)cc1 ZINC000051649540 822771607 /nfs/dbraw/zinc/77/16/07/822771607.db2.gz GTGYAJXKEVHNLG-QHCPKHFHSA-N 1 0 396.531 4.074 20 0 GIADRO COc1cccc(Cl)c1CC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000185366847 822773017 /nfs/dbraw/zinc/77/30/17/822773017.db2.gz BLPCKCITHBTHDW-UHFFFAOYSA-N 1 0 386.923 4.014 20 0 GIADRO CC(C)[C@@H]1CN(Cc2nnc(-c3ccccc3Br)o2)CCS1 ZINC000174334483 822773119 /nfs/dbraw/zinc/77/31/19/822773119.db2.gz FQGQFKCREYTHFZ-AWEZNQCLSA-N 1 0 382.327 4.073 20 0 GIADRO CCS[C@H]1CC[C@H]([N@H+](C)Cc2nnc(-c3ccc(Br)o3)o2)C1 ZINC000174340135 822774697 /nfs/dbraw/zinc/77/46/97/822774697.db2.gz RHVAPBSUFYKAOD-QWRGUYRKSA-N 1 0 386.315 4.198 20 0 GIADRO CCS[C@@H]1CC[C@@H]([N@H+](C)CC(=O)Nc2cc3c(cc2Cl)OCCCO3)C1 ZINC000174342088 822775080 /nfs/dbraw/zinc/77/50/80/822775080.db2.gz VLOAODXOOBWQGL-ZIAGYGMSSA-N 1 0 398.956 4.046 20 0 GIADRO COc1ccccc1-c1ccc(C[NH2+]CCOc2cccc(NC(C)=O)c2)cc1 ZINC000174348396 822776260 /nfs/dbraw/zinc/77/62/60/822776260.db2.gz OCWKWDAKGIKCMQ-UHFFFAOYSA-N 1 0 390.483 4.489 20 0 GIADRO COc1ccc([C@H]2CCCN2C(=O)NCCC[NH+](C(C)C)C(C)C)cc1OC ZINC000174353928 822776818 /nfs/dbraw/zinc/77/68/18/822776818.db2.gz UQZOFWQBHIPXHR-LJQANCHMSA-N 1 0 391.556 4.059 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc(-n2cccn2)cc1)C(=O)Nc1cc(Cl)ccc1F ZINC000174369773 822779394 /nfs/dbraw/zinc/77/93/94/822779394.db2.gz JTVNOCKGGHDECU-ZIAGYGMSSA-N 1 0 386.858 4.343 20 0 GIADRO CC(C)CCn1nc(CNC(=O)c2ccccc2C[NH+](C)C)c2ccccc21 ZINC000456119089 822780109 /nfs/dbraw/zinc/78/01/09/822780109.db2.gz HZXFCBIJSJHIFQ-UHFFFAOYSA-N 1 0 378.520 4.074 20 0 GIADRO CC[C@@H](NC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1)c1nc(C(F)(F)F)cs1 ZINC000174386251 822781759 /nfs/dbraw/zinc/78/17/59/822781759.db2.gz BVBFBDHCYWJEHL-CHWSQXEVSA-N 1 0 392.491 4.033 20 0 GIADRO CC[C@@H](NC(=O)NC[C@H](C)[NH+]1CCC(C)CC1)c1nc(C(F)(F)F)cs1 ZINC000174386272 822781770 /nfs/dbraw/zinc/78/17/70/822781770.db2.gz BVBFBDHCYWJEHL-QWHCGFSZSA-N 1 0 392.491 4.033 20 0 GIADRO CCO[C@H](C)c1nc(C[N@H+](CC)CC2CCN(c3ccccn3)CC2)cs1 ZINC000174389768 822782427 /nfs/dbraw/zinc/78/24/27/822782427.db2.gz FQQQPCJKHDOXGB-QGZVFWFLSA-N 1 0 388.581 4.374 20 0 GIADRO Cc1cc(C)n2c(C[NH2+]Cc3ccc(OCc4ccccc4F)cc3)cnc2n1 ZINC000185428540 822782567 /nfs/dbraw/zinc/78/25/67/822782567.db2.gz PRTBRGJLDRIOKC-UHFFFAOYSA-N 1 0 390.462 4.354 20 0 GIADRO COc1cc(C[NH2+]C2(c3ccc(F)cc3)CCOCC2)ccc1OC(F)F ZINC000174390787 822782748 /nfs/dbraw/zinc/78/27/48/822782748.db2.gz SHNFPNGERNFKGJ-UHFFFAOYSA-N 1 0 381.394 4.231 20 0 GIADRO CN(Cc1ncc(-c2ccccc2F)o1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174395965 822783700 /nfs/dbraw/zinc/78/37/00/822783700.db2.gz IGEOATDPLITCAK-LJQANCHMSA-N 1 0 379.479 4.435 20 0 GIADRO Clc1cccc(-c2noc(CC[NH2+]C3CCN(Cc4ccccc4)CC3)n2)c1 ZINC000174397242 822783913 /nfs/dbraw/zinc/78/39/13/822783913.db2.gz MARYWQRNTARIKY-UHFFFAOYSA-N 1 0 396.922 4.187 20 0 GIADRO CSc1nnc(CCC[NH2+][C@H](C)c2cc(Cl)ccc2O)n1CC(C)C ZINC000185446848 822785256 /nfs/dbraw/zinc/78/52/56/822785256.db2.gz WGIGWTDUWRMVDL-CYBMUJFWSA-N 1 0 382.961 4.298 20 0 GIADRO COCc1ccccc1C[NH2+]Cc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000174404361 822785631 /nfs/dbraw/zinc/78/56/31/822785631.db2.gz VZWHHNOZZLPXPZ-FQEVSTJZSA-N 1 0 375.896 4.334 20 0 GIADRO Cc1ccc(-c2cnc(-c3ccccc3C(=O)N3C[C@H]4CC[N@@H+](C)[C@H]4C3)o2)cc1 ZINC000456173460 822786194 /nfs/dbraw/zinc/78/61/94/822786194.db2.gz TZPWNZDQTIEULH-NQIIRXRSSA-N 1 0 387.483 4.093 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)Cn1c2ccccc2nc1C1CCCCC1 ZINC000456173031 822786227 /nfs/dbraw/zinc/78/62/27/822786227.db2.gz QFKOCBVVYNRASF-UHFFFAOYSA-N 1 0 384.568 4.321 20 0 GIADRO c1cnc(Oc2ccc(C[NH2+][C@H](c3ccc4c(c3)OCCO4)C3CC3)cc2)cn1 ZINC000174408230 822786303 /nfs/dbraw/zinc/78/63/03/822786303.db2.gz OOQPZMWBBLBHCG-QHCPKHFHSA-N 1 0 389.455 4.281 20 0 GIADRO Clc1ccc(OC[C@H]2CCCO2)c(C[NH2+]Cc2ccccc2-n2ccnc2)c1 ZINC000174409559 822786391 /nfs/dbraw/zinc/78/63/91/822786391.db2.gz BZFASFGPEAHTTK-HXUWFJFHSA-N 1 0 397.906 4.373 20 0 GIADRO C[C@@H](CC(=O)NC(C)(C)CCC[NH+](C)C)c1ccc(F)c(Br)c1 ZINC000456176602 822786451 /nfs/dbraw/zinc/78/64/51/822786451.db2.gz WWCXBRJOIBBLCQ-ZDUSSCGKSA-N 1 0 387.337 4.318 20 0 GIADRO CCOc1ccccc1[C@H](CC(C)C)NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000174410834 822786474 /nfs/dbraw/zinc/78/64/74/822786474.db2.gz UTLGJOWAZLSGSN-NRFANRHFSA-N 1 0 387.568 4.442 20 0 GIADRO CC(C)c1ccc(-c2noc(CCC(=O)NC(C)(C)CCC[NH+](C)C)n2)cc1 ZINC000456195915 822787593 /nfs/dbraw/zinc/78/75/93/822787593.db2.gz HDRWOAFFRNJTHO-UHFFFAOYSA-N 1 0 386.540 4.029 20 0 GIADRO Cc1nc(COc2ccc(F)cc2)sc1C(=O)NC(C)(C)CCC[NH+](C)C ZINC000456197647 822787690 /nfs/dbraw/zinc/78/76/90/822787690.db2.gz IWZBXVOGENSIFH-UHFFFAOYSA-N 1 0 393.528 4.020 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)Cc1csc(-c2ccc(Cl)s2)n1 ZINC000456205728 822787943 /nfs/dbraw/zinc/78/79/43/822787943.db2.gz QEOWUYYGZFIHJQ-UHFFFAOYSA-N 1 0 385.986 4.304 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)CCSc1ccccc1Br ZINC000456205322 822787977 /nfs/dbraw/zinc/78/79/77/822787977.db2.gz PVRUANDEHMPTEO-UHFFFAOYSA-N 1 0 387.387 4.168 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1ccccc1Oc1cccnc1)c1cccc(F)c1 ZINC000052026199 822788164 /nfs/dbraw/zinc/78/81/64/822788164.db2.gz IGMOJJGKAWQGKX-HXUWFJFHSA-N 1 0 379.435 4.046 20 0 GIADRO COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H]2CCC[C@H](O)C2)cc1 ZINC000174429079 822788928 /nfs/dbraw/zinc/78/89/28/822788928.db2.gz IOJQUBKCAGJXLO-GCJKJVERSA-N 1 0 391.515 4.189 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)c3ccccc3OC[C@@H]3CCCO3)ccc21 ZINC000456251590 822790064 /nfs/dbraw/zinc/79/00/64/822790064.db2.gz ACNJOKLECYNKCG-GHTZIAJQSA-N 1 0 380.488 4.046 20 0 GIADRO O=C(NCc1ccccc1)C1CC[NH+](CC2CCC(C(F)(F)F)CC2)CC1 ZINC000185491067 822790115 /nfs/dbraw/zinc/79/01/15/822790115.db2.gz IUYKFLISDIGDLC-UHFFFAOYSA-N 1 0 382.470 4.384 20 0 GIADRO CC(C)(C)[N@@H+]1CCCN(Cn2nc(-c3cccs3)n(C3CC3)c2=S)CC1 ZINC000052087259 822790120 /nfs/dbraw/zinc/79/01/20/822790120.db2.gz RRTUWLDHIMZKFS-UHFFFAOYSA-N 1 0 391.610 4.241 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)c3ccccc3OC[C@@H]3CCCO3)ccc21 ZINC000456251595 822790241 /nfs/dbraw/zinc/79/02/41/822790241.db2.gz ACNJOKLECYNKCG-RXVVDRJESA-N 1 0 380.488 4.046 20 0 GIADRO C[N@H+](Cc1ccccc1N1CCOCC1)Cc1ccc(Cl)c2cccnc12 ZINC000052102447 822790283 /nfs/dbraw/zinc/79/02/83/822790283.db2.gz HJKYUBBFBJMBFJ-UHFFFAOYSA-N 1 0 381.907 4.357 20 0 GIADRO Cc1ccc2nc(CSCC(=O)Nc3ccc4c(c3)CC[C@@H]4[NH+](C)C)cn2c1 ZINC000456253556 822790330 /nfs/dbraw/zinc/79/03/30/822790330.db2.gz BIETVGUPUVCNQH-FQEVSTJZSA-N 1 0 394.544 4.064 20 0 GIADRO COc1ccc(-c2noc(C[N@@H+]3CCC[C@@H]3CCc3ccccc3)n2)c(OC)c1 ZINC000052106100 822790427 /nfs/dbraw/zinc/79/04/27/822790427.db2.gz WGIFHRQBSUJNHA-GOSISDBHSA-N 1 0 393.487 4.351 20 0 GIADRO CCOc1ccc(C(=O)CCC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)cc1 ZINC000456257284 822790719 /nfs/dbraw/zinc/79/07/19/822790719.db2.gz DVLUTNMFKHAQDT-NRFANRHFSA-N 1 0 380.488 4.236 20 0 GIADRO CS(=O)(=O)c1cccc(Oc2ncccc2C[NH2+]C/C=C/c2ccccc2)c1 ZINC000174445711 822790703 /nfs/dbraw/zinc/79/07/03/822790703.db2.gz HPVBLZBVYSGRRN-UXBLZVDNSA-N 1 0 394.496 4.080 20 0 GIADRO Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C[NH2+]CCn1ccnc1C ZINC000052120086 822790963 /nfs/dbraw/zinc/79/09/63/822790963.db2.gz YKRIXZDEWCYEGB-UHFFFAOYSA-N 1 0 397.832 4.148 20 0 GIADRO CCSc1cccc(C[NH2+]C2CCN(C(=O)Cc3ccccc3OC)CC2)c1 ZINC000185502379 822791348 /nfs/dbraw/zinc/79/13/48/822791348.db2.gz RUAMDIFGAGUJHV-UHFFFAOYSA-N 1 0 398.572 4.131 20 0 GIADRO CC(=O)c1c(C)cc(C)c(C[NH+]2CCC(C(=O)N3CCC(C)CC3)CC2)c1C ZINC000052158126 822791660 /nfs/dbraw/zinc/79/16/60/822791660.db2.gz KLPDVLBAYRZFDY-UHFFFAOYSA-N 1 0 384.564 4.285 20 0 GIADRO Cc1csc([C@@H](NC(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)C2CC2)n1 ZINC000174453257 822791937 /nfs/dbraw/zinc/79/19/37/822791937.db2.gz ZUYAIZCELLYGBU-UXHICEINSA-N 1 0 398.576 4.347 20 0 GIADRO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+]CCCCn1ccnc1C ZINC000174453375 822791991 /nfs/dbraw/zinc/79/19/91/822791991.db2.gz NLEOREAUBKDGMO-UHFFFAOYSA-N 1 0 389.906 4.107 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)COc3cccc(Br)c3)ccc21 ZINC000456271305 822792362 /nfs/dbraw/zinc/79/23/62/822792362.db2.gz XLTCPXLMGJEYRT-SFHVURJKSA-N 1 0 389.293 4.016 20 0 GIADRO Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000456273034 822792402 /nfs/dbraw/zinc/79/24/02/822792402.db2.gz LWFQIZRKVNOXJW-OAQYLSRUSA-N 1 0 375.472 4.380 20 0 GIADRO CCOc1ccccc1NC(=O)N(CC)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174456007 822792484 /nfs/dbraw/zinc/79/24/84/822792484.db2.gz YCOMYPHMUOWDER-FQEVSTJZSA-N 1 0 381.520 4.461 20 0 GIADRO CCOc1ccccc1NC(=O)N(CC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174455994 822792527 /nfs/dbraw/zinc/79/25/27/822792527.db2.gz YCOMYPHMUOWDER-HXUWFJFHSA-N 1 0 381.520 4.461 20 0 GIADRO Cc1ccc(-c2nc(CC(=O)Nc3ccc4c(c3)CC[C@@H]4[NH+](C)C)cs2)o1 ZINC000456275255 822792831 /nfs/dbraw/zinc/79/28/31/822792831.db2.gz NAQHWRUVMGCGLM-SFHVURJKSA-N 1 0 381.501 4.442 20 0 GIADRO C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1CCc2c1ccc(F)c2Br ZINC000456276997 822793006 /nfs/dbraw/zinc/79/30/06/822793006.db2.gz NLSXYGZXKCYPLM-CQSZACIVSA-N 1 0 397.313 4.129 20 0 GIADRO Cc1c(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)nnn1-c1ccccc1Cl ZINC000456277453 822793116 /nfs/dbraw/zinc/79/31/16/822793116.db2.gz OGNSZTMYXJJYEH-GOSISDBHSA-N 1 0 395.894 4.030 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)COc3ccccc3Br)ccc21 ZINC000456279271 822793359 /nfs/dbraw/zinc/79/33/59/822793359.db2.gz PQZGZWUTXHBIBW-QGZVFWFLSA-N 1 0 389.293 4.016 20 0 GIADRO Clc1ccc(OCc2nc(C[NH2+]CCCOC3CCOCC3)cs2)cc1 ZINC000174462579 822793486 /nfs/dbraw/zinc/79/34/86/822793486.db2.gz QIRYEGQTQBZVIH-UHFFFAOYSA-N 1 0 396.940 4.051 20 0 GIADRO Cc1nn(C)c(=O)c(-c2nc(C[NH2+][C@H](C)[C@H](C)C3CCCCC3)cs2)c1C ZINC000185528468 822793774 /nfs/dbraw/zinc/79/37/74/822793774.db2.gz UOQSBFMDMHOJOO-DZGCQCFKSA-N 1 0 388.581 4.215 20 0 GIADRO COCc1ccc(C[NH2+]C2(c3ccc(Br)cc3)CCOCC2)cc1 ZINC000174469185 822794401 /nfs/dbraw/zinc/79/44/01/822794401.db2.gz IJAGWVVZXKZCJB-UHFFFAOYSA-N 1 0 390.321 4.391 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(OC(C)C)cc1F)c1ccco1 ZINC000052263911 822795071 /nfs/dbraw/zinc/79/50/71/822795071.db2.gz FKSPJJZWUOITRI-SFHVURJKSA-N 1 0 377.460 4.411 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2sc(-c3cccc(Cl)c3)nc2C)C1 ZINC000174487190 822796080 /nfs/dbraw/zinc/79/60/80/822796080.db2.gz AXNYLTRJEJQGAY-CQSZACIVSA-N 1 0 377.941 4.186 20 0 GIADRO CCOc1ccc(CCC2CCN(C(=O)C3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000174490016 822796229 /nfs/dbraw/zinc/79/62/29/822796229.db2.gz ABNQRZXXLLSENM-UHFFFAOYSA-N 1 0 386.580 4.377 20 0 GIADRO COc1ccc(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)c(OC(F)F)c1 ZINC000456306396 822796529 /nfs/dbraw/zinc/79/65/29/822796529.db2.gz IIQDCXYCQVTTDO-KRWDZBQOSA-N 1 0 376.403 4.098 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1nc(-c2ccc(F)cc2)cs1)[C@H]1COc2ccccc21 ZINC000185566651 822797253 /nfs/dbraw/zinc/79/72/53/822797253.db2.gz XJXXSSWKWGOVLV-CXAGYDPISA-N 1 0 397.475 4.042 20 0 GIADRO Cc1nc(-c2c[nH]c(C(=O)N3CC[N@H+](Cc4ccccc4)C[C@H](C)C3)c2)cs1 ZINC000456314933 822797594 /nfs/dbraw/zinc/79/75/94/822797594.db2.gz XAIAHITWXGYLKV-INIZCTEOSA-N 1 0 394.544 4.041 20 0 GIADRO CC[C@H](C)[C@H](C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)c1ccccc1 ZINC000174501983 822797632 /nfs/dbraw/zinc/79/76/32/822797632.db2.gz QZLULNPEEKEPKY-CYFREDJKSA-N 1 0 394.559 4.089 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cccc(OC)c1OC(F)F ZINC000052397195 822797933 /nfs/dbraw/zinc/79/79/33/822797933.db2.gz QJKXWOKQWLBELU-UHFFFAOYSA-N 1 0 392.446 4.068 20 0 GIADRO CCc1ccccc1O[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000456320940 822798235 /nfs/dbraw/zinc/79/82/35/822798235.db2.gz OMDLCUCYCVRMNR-ZYJGPIPZSA-N 1 0 378.516 4.111 20 0 GIADRO CCN(Cc1ccccc1)c1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000456321818 822798296 /nfs/dbraw/zinc/79/82/96/822798296.db2.gz QEGBLDPRDQNDRW-BRTIRZTQSA-N 1 0 377.532 4.068 20 0 GIADRO C[C@H]1CCc2c(sc3ncnc(NC4CC[NH+](Cc5ccccn5)CC4)c23)C1 ZINC000052407556 822798313 /nfs/dbraw/zinc/79/83/13/822798313.db2.gz HXSPBZPZKCLVAJ-HNNXBMFYSA-N 1 0 393.560 4.288 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)Cc3ccc(F)cc3Br)ccc21 ZINC000456327816 822798656 /nfs/dbraw/zinc/79/86/56/822798656.db2.gz RDIRUKUCKWHBTD-SFHVURJKSA-N 1 0 391.284 4.318 20 0 GIADRO CCCOc1ccc(C(F)(F)F)cc1NC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000174509445 822798843 /nfs/dbraw/zinc/79/88/43/822798843.db2.gz NRVHGSGYCUINIF-AWEZNQCLSA-N 1 0 387.446 4.300 20 0 GIADRO Cc1cc(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)nn1-c1c(F)cccc1F ZINC000456331424 822799235 /nfs/dbraw/zinc/79/92/35/822799235.db2.gz UAJLYDVGTTWMDH-FQEVSTJZSA-N 1 0 396.441 4.260 20 0 GIADRO Cc1nc(CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)sc1C ZINC000174512250 822799339 /nfs/dbraw/zinc/79/93/39/822799339.db2.gz FWMQLZDNCTUZHT-INIZCTEOSA-N 1 0 392.594 4.094 20 0 GIADRO C[C@@H]1CN(C(=O)CCc2ccc3[nH]ccc3c2)CC[N@H+](Cc2ccccc2)C1 ZINC000456339493 822800133 /nfs/dbraw/zinc/80/01/33/822800133.db2.gz OXZHNNJMINDYBR-IBGZPJMESA-N 1 0 375.516 4.081 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)CCCc2ccc3c(c2)-c2ccccc2C3)C1 ZINC000174521600 822800396 /nfs/dbraw/zinc/80/03/96/822800396.db2.gz SZFWAHCVJPTGQY-FQEVSTJZSA-N 1 0 376.544 4.381 20 0 GIADRO O=C([C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174522141 822800491 /nfs/dbraw/zinc/80/04/91/822800491.db2.gz BCBAKYUNAUGTMY-KBAYOESNSA-N 1 0 396.453 4.023 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000174524538 822800720 /nfs/dbraw/zinc/80/07/20/822800720.db2.gz KXTGMAVKLMWVOJ-NSHDSACASA-N 1 0 382.348 4.138 20 0 GIADRO CC(C)OC(=O)[C@H](C)CNC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000174526539 822801252 /nfs/dbraw/zinc/80/12/52/822801252.db2.gz QMKJOWYPZQPGSV-QGZVFWFLSA-N 1 0 389.540 4.160 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(c2nc(-c3ccncc3)nc3ccccc32)CC1 ZINC000052488284 822801281 /nfs/dbraw/zinc/80/12/81/822801281.db2.gz WHZULCXEXSBJHW-UHFFFAOYSA-N 1 0 375.520 4.248 20 0 GIADRO C[C@@](O)(C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccco1 ZINC000174527708 822801343 /nfs/dbraw/zinc/80/13/43/822801343.db2.gz FZDPUXBDWPVBDM-XMMPIXPASA-N 1 0 387.483 4.189 20 0 GIADRO CCn1ccnc1[C@@H](C)NC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000456353428 822801516 /nfs/dbraw/zinc/80/15/16/822801516.db2.gz MIEZCKMZLRPCCD-GOSISDBHSA-N 1 0 376.504 4.026 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](Sc2ccccc2F)c2ccccc2)C1 ZINC000174533244 822802229 /nfs/dbraw/zinc/80/22/29/822802229.db2.gz QOVDTTRSTJPJFH-LAUBAEHRSA-N 1 0 386.536 4.459 20 0 GIADRO C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[NH2+][C@@H](C)[C@@H]1COc2ccccc21 ZINC000185621755 822803303 /nfs/dbraw/zinc/80/33/03/822803303.db2.gz LQAGJBVAEOKDCN-FCEWJHQRSA-N 1 0 378.472 4.107 20 0 GIADRO O=C(c1cccc(OCc2cccs2)c1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174547427 822803526 /nfs/dbraw/zinc/80/35/26/822803526.db2.gz AVJUPHDWLBONIY-GOSISDBHSA-N 1 0 384.545 4.275 20 0 GIADRO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000174547543 822803531 /nfs/dbraw/zinc/80/35/31/822803531.db2.gz UZZBUELYAWYTNT-SFHVURJKSA-N 1 0 391.515 4.013 20 0 GIADRO Cc1nc(C)c(C(=O)N(CCC[NH+](C)C)C(c2ccccc2)c2ccccc2)o1 ZINC000174552572 822804048 /nfs/dbraw/zinc/80/40/48/822804048.db2.gz DSGSHLAJCPYRQU-UHFFFAOYSA-N 1 0 391.515 4.475 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]Cc1ccc(C(=O)OC(C)C)cc1 ZINC000185630568 822804277 /nfs/dbraw/zinc/80/42/77/822804277.db2.gz RARJKSACIFUGTA-CYBMUJFWSA-N 1 0 397.441 4.478 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]CC(=O)Nc1c(C)cc(C)cc1C ZINC000185630225 822804316 /nfs/dbraw/zinc/80/43/16/822804316.db2.gz FZLZWNPMSLUSIA-AWEZNQCLSA-N 1 0 396.457 4.277 20 0 GIADRO CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[C@@H](C)n2ccnc21)c1cccc(C(F)(F)F)c1 ZINC000456398699 822804389 /nfs/dbraw/zinc/80/43/89/822804389.db2.gz UJGSNXDNHXIKIX-XYPHTWIQSA-N 1 0 394.441 4.107 20 0 GIADRO CN(C(=O)c1cc(Cl)cc(Cl)n1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000185634982 822804874 /nfs/dbraw/zinc/80/48/74/822804874.db2.gz IESLKJPHQSRMEQ-UHFFFAOYSA-N 1 0 378.303 4.125 20 0 GIADRO COc1cccc(Nc2ccccc2C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000174558658 822804959 /nfs/dbraw/zinc/80/49/59/822804959.db2.gz URXPKDYOVPPPTL-LJQANCHMSA-N 1 0 393.531 4.387 20 0 GIADRO Cc1ccc(CN(C(=O)C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)C2CC2)o1 ZINC000052612139 822805123 /nfs/dbraw/zinc/80/51/23/822805123.db2.gz PAFQBONFKMGJJR-QGZVFWFLSA-N 1 0 393.487 4.100 20 0 GIADRO CCCc1noc2nc(C3CC3)cc(C(=O)N3CC[C@@H](C[NH+]4CCCCC4)C3)c12 ZINC000174562217 822805300 /nfs/dbraw/zinc/80/53/00/822805300.db2.gz QRGCQGZSXLQMIE-INIZCTEOSA-N 1 0 396.535 4.001 20 0 GIADRO CSC1(C[NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)CCOCC1 ZINC000174563911 822805450 /nfs/dbraw/zinc/80/54/50/822805450.db2.gz OJRYEOZQQIVOQO-UHFFFAOYSA-N 1 0 392.952 4.316 20 0 GIADRO Cn1c2ccccc2nc1C(C)(C)[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000185639818 822805498 /nfs/dbraw/zinc/80/54/98/822805498.db2.gz CFZJITARDFZMRE-UHFFFAOYSA-N 1 0 386.540 4.045 20 0 GIADRO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000185640699 822805693 /nfs/dbraw/zinc/80/56/93/822805693.db2.gz IPEHQUPMOXOKIW-UHFFFAOYSA-N 1 0 397.469 4.251 20 0 GIADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)Nc1ccc2nc(C(C)(C)C)sc2c1 ZINC000174566936 822805818 /nfs/dbraw/zinc/80/58/18/822805818.db2.gz JXYRKSGWNZELHG-SFHVURJKSA-N 1 0 389.565 4.326 20 0 GIADRO Cc1ccc(-c2noc(CCC[NH2+][C@@H](C)[C@@H]3COc4ccccc43)n2)cc1F ZINC000185641715 822805870 /nfs/dbraw/zinc/80/58/70/822805870.db2.gz BKYNQFGKTSLSOY-YJBOKZPZSA-N 1 0 381.451 4.271 20 0 GIADRO C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1cn(C)c2ccccc12 ZINC000185643908 822805998 /nfs/dbraw/zinc/80/59/98/822805998.db2.gz HKECGWLAQRKDEP-SVFBPWRDSA-N 1 0 389.543 4.451 20 0 GIADRO COc1ccc(C[NH2+][C@H](C)CCc2cccn2C)cc1OCc1cccnc1 ZINC000174567290 822806017 /nfs/dbraw/zinc/80/60/17/822806017.db2.gz BVZWZIQSAAHKAP-GOSISDBHSA-N 1 0 379.504 4.119 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1Cc1ccccc1)[C@H]1COc2ccccc21 ZINC000185645093 822806186 /nfs/dbraw/zinc/80/61/86/822806186.db2.gz SPZHOMRFMZVTAD-XMSQKQJNSA-N 1 0 386.495 4.370 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(F)cc2F)cc1OCC ZINC000052659813 822806525 /nfs/dbraw/zinc/80/65/25/822806525.db2.gz IPUQQEPMQMTFMO-KGLIPLIRSA-N 1 0 392.446 4.440 20 0 GIADRO C[NH+](C)Cc1ccccc1NC(=O)[C@H]1CCCN(c2nc3ccccc3s2)C1 ZINC000052665948 822806905 /nfs/dbraw/zinc/80/69/05/822806905.db2.gz UFVRSWUEROLTMC-KRWDZBQOSA-N 1 0 394.544 4.213 20 0 GIADRO COc1ccc(OCCC[NH2+][C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)cc1 ZINC000185653757 822807133 /nfs/dbraw/zinc/80/71/33/822807133.db2.gz CODRKKYMBUQHCO-ZDUSSCGKSA-N 1 0 385.430 4.191 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2OC(F)F)cc1F ZINC000052710599 822808048 /nfs/dbraw/zinc/80/80/48/822808048.db2.gz QLXOTCYSBVRSLU-NWDGAFQWSA-N 1 0 382.382 4.114 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cc(C)c(Cl)cc2OC)cc1F ZINC000052710588 822808063 /nfs/dbraw/zinc/80/80/63/822808063.db2.gz NUPGGPAKBZXKNU-OLZOCXBDSA-N 1 0 394.874 4.483 20 0 GIADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1cc(Cl)cc(Cl)n1 ZINC000185664520 822808157 /nfs/dbraw/zinc/80/81/57/822808157.db2.gz LYGCHBHTRKMERS-UHFFFAOYSA-N 1 0 386.245 4.125 20 0 GIADRO CCCCCNC(=O)C1CC[NH+](CCC(=O)Nc2cccc3ccccc32)CC1 ZINC000052722614 822808534 /nfs/dbraw/zinc/80/85/34/822808534.db2.gz JHSUAAIDLAMZJU-UHFFFAOYSA-N 1 0 395.547 4.187 20 0 GIADRO COC(=O)COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2C(C)C)cc1 ZINC000185678368 822809181 /nfs/dbraw/zinc/80/91/81/822809181.db2.gz OQXWZVQCMSPLNN-DLBZAZTESA-N 1 0 398.503 4.040 20 0 GIADRO C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1C(F)(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185677962 822809267 /nfs/dbraw/zinc/80/92/67/822809267.db2.gz URZOVTGVGAFFBK-OWCLPIDISA-N 1 0 397.485 4.275 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)CC[N@@H+]1C ZINC000174597656 822810026 /nfs/dbraw/zinc/81/00/26/822810026.db2.gz OIYUPWJJLZWFBX-GDBMZVCRSA-N 1 0 398.473 4.252 20 0 GIADRO COc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1OCc1ccccc1 ZINC000174598509 822810294 /nfs/dbraw/zinc/81/02/94/822810294.db2.gz IUXXCLGUJZQAQZ-FRIKZZABSA-N 1 0 380.532 4.379 20 0 GIADRO C[C@@H](NCC(=O)N[C@@H](C)c1cccc2ccccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185689548 822810459 /nfs/dbraw/zinc/81/04/59/822810459.db2.gz VTHWXEWVZRWYBK-SVFBPWRDSA-N 1 0 393.575 4.260 20 0 GIADRO COc1ccc(CNC(=O)[C@@H](C)[N@H+](C)Cc2csc3ccccc23)cc1OC ZINC000052805952 822811405 /nfs/dbraw/zinc/81/14/05/822811405.db2.gz UYIDOANZPYFIFM-OAHLLOKOSA-N 1 0 398.528 4.055 20 0 GIADRO C[C@H]1C[C@@H](C(=O)N[C@H](Cc2ccccc2)c2nc3ccccc3s2)CC[N@@H+]1C ZINC000456516107 822812200 /nfs/dbraw/zinc/81/22/00/822812200.db2.gz DKMOGLQPKCACSO-XKGZKEIXSA-N 1 0 393.556 4.427 20 0 GIADRO C[C@H](CC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)Cc1cccc(F)c1 ZINC000174612736 822812508 /nfs/dbraw/zinc/81/25/08/822812508.db2.gz ADRHVBZZQOGGQX-SIKLNZKXSA-N 1 0 382.523 4.075 20 0 GIADRO CCOC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)C1 ZINC000052871061 822813516 /nfs/dbraw/zinc/81/35/16/822813516.db2.gz RMDFRBSDAHGLBH-LAUBAEHRSA-N 1 0 395.503 4.210 20 0 GIADRO CCc1cnc(CC[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)s1 ZINC000174624146 822813869 /nfs/dbraw/zinc/81/38/69/822813869.db2.gz HFBZAGHFXJKOOW-UHFFFAOYSA-N 1 0 391.338 4.190 20 0 GIADRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3c[nH]cc3-c3ccccc3)cc2)CC1 ZINC000052877291 822813878 /nfs/dbraw/zinc/81/38/78/822813878.db2.gz FHYOBPLLBJYKCJ-UHFFFAOYSA-N 1 0 388.515 4.072 20 0 GIADRO CC[C@H](C)[NH+]1CCN(C(=O)c2ccc(SCc3csc(C)n3)cc2)CC1 ZINC000456543910 822814601 /nfs/dbraw/zinc/81/46/01/822814601.db2.gz FSXHOFZNRLURLR-HNNXBMFYSA-N 1 0 389.590 4.300 20 0 GIADRO COCc1c(C(=O)NCC(C)(C)[NH+]2CCCCC2)sc2cccc(F)c21 ZINC000052894705 822814635 /nfs/dbraw/zinc/81/46/35/822814635.db2.gz LSCOLTUZHMDTEK-UHFFFAOYSA-N 1 0 378.513 4.181 20 0 GIADRO CCN(CC)C(=O)c1ccc(NC(=O)C[N@H+](C)[C@@H](C)c2ccc(C)cc2)cc1 ZINC000052907408 822814811 /nfs/dbraw/zinc/81/48/11/822814811.db2.gz GUUSAAPIIAUSLB-SFHVURJKSA-N 1 0 381.520 4.109 20 0 GIADRO CCc1ccc([C@H]([NH2+]C2CCSCC2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000174633465 822815251 /nfs/dbraw/zinc/81/52/51/822815251.db2.gz AVCSESITQWFLGZ-NRFANRHFSA-N 1 0 389.586 4.227 20 0 GIADRO COc1ccc(C[NH2+]Cc2ccc(-c3csc(C)n3)cc2)c(OC)c1OC ZINC000052916024 822815741 /nfs/dbraw/zinc/81/57/41/822815741.db2.gz DCMQGNMIYJMYLG-UHFFFAOYSA-N 1 0 384.501 4.434 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)Nc2ncc(Cc3ccccc3Cl)s2)CC[N@@H+]1C ZINC000174642741 822816425 /nfs/dbraw/zinc/81/64/25/822816425.db2.gz VBWCOJALPZULKF-DZGCQCFKSA-N 1 0 392.956 4.334 20 0 GIADRO C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000052994127 822818141 /nfs/dbraw/zinc/81/81/41/822818141.db2.gz LCOGQTOLRCGFFS-AVRDEDQJSA-N 1 0 397.563 4.009 20 0 GIADRO COc1ccc(S[C@@H](C)C(=O)NCc2ccccc2C[N@H+](C)C(C)C)cc1 ZINC000053016755 822818745 /nfs/dbraw/zinc/81/87/45/822818745.db2.gz REUIVIDLCMCFPX-KRWDZBQOSA-N 1 0 386.561 4.332 20 0 GIADRO Cc1ccc(NC(=O)COC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c(C)c1 ZINC000053022042 822818852 /nfs/dbraw/zinc/81/88/52/822818852.db2.gz OYLXUJMIDDFDIL-UHFFFAOYSA-N 1 0 380.488 4.085 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)NCc2sc(-c3ccccc3)nc2C)CC1 ZINC000174656065 822818877 /nfs/dbraw/zinc/81/88/77/822818877.db2.gz VNNXNWXGTOYLLU-UHFFFAOYSA-N 1 0 386.565 4.040 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2nc(C3CC3)cs2)[C@@H]1c1cccs1 ZINC000174656617 822819147 /nfs/dbraw/zinc/81/91/47/822819147.db2.gz UCFAAIPYFCMKAD-XJKSGUPXSA-N 1 0 376.551 4.287 20 0 GIADRO CCC[N@H+](CC)CCNC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 ZINC000174657106 822819331 /nfs/dbraw/zinc/81/93/31/822819331.db2.gz JRFUASKAPHMXKU-UHFFFAOYSA-N 1 0 393.940 4.116 20 0 GIADRO CN(Cc1cc2ccccc2nc1Cl)C1CC[NH+](CCc2ccccn2)CC1 ZINC000174658466 822819535 /nfs/dbraw/zinc/81/95/35/822819535.db2.gz XULDIVISJCJGNO-UHFFFAOYSA-N 1 0 394.950 4.422 20 0 GIADRO Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)c(OCC[NH+](C)C)c1 ZINC000185772638 822820015 /nfs/dbraw/zinc/82/00/15/822820015.db2.gz RXSICUIELQHNJF-LSDHHAIUSA-N 1 0 392.421 4.095 20 0 GIADRO Cc1csc2nc(C[N@H+](Cc3ccccc3C(F)(F)F)C3CC3)cc(=O)n12 ZINC000053109747 822822092 /nfs/dbraw/zinc/82/20/92/822822092.db2.gz RWAZUKUNTCJNOW-UHFFFAOYSA-N 1 0 393.434 4.248 20 0 GIADRO Cc1ccc2nc(C[N@H+](Cc3ccccc3C(F)(F)F)C3CC3)cc(=O)n2c1 ZINC000053109173 822822154 /nfs/dbraw/zinc/82/21/54/822822154.db2.gz ZSXYNDYJIHTAJK-UHFFFAOYSA-N 1 0 387.405 4.186 20 0 GIADRO C[N@H+](Cc1nnc(-c2cccc(Cl)c2)o1)[C@H]1CCCN(c2ccccc2)C1 ZINC000174680276 822822454 /nfs/dbraw/zinc/82/24/54/822822454.db2.gz WEEJBLZPCDVYAB-IBGZPJMESA-N 1 0 382.895 4.491 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)C1(c2ccc(Br)cc2)CCC1 ZINC000456690278 822823006 /nfs/dbraw/zinc/82/30/06/822823006.db2.gz BSCRPUVFIGAVBQ-UHFFFAOYSA-N 1 0 391.353 4.004 20 0 GIADRO CCn1cc([C@H](C)NC(=O)[C@H](c2cccc(C(F)(F)F)c2)[NH+](CC)CC)cn1 ZINC000456693898 822823553 /nfs/dbraw/zinc/82/35/53/822823553.db2.gz NPEGKBLLPUMXJE-KSSFIOAISA-N 1 0 396.457 4.182 20 0 GIADRO CCOc1ccc(-c2nc(C(=O)N(CC[NH+](C)C)C3CCCC3)cs2)cc1 ZINC000053152010 822823861 /nfs/dbraw/zinc/82/38/61/822823861.db2.gz UIEKGXJNZRTLEU-UHFFFAOYSA-N 1 0 387.549 4.155 20 0 GIADRO C[NH+]1CCC(Nc2ccccc2NC(=O)[C@H]2C[C@]23CCCc2ccccc23)CC1 ZINC000174694660 822824463 /nfs/dbraw/zinc/82/44/63/822824463.db2.gz SZWTXKDFXKZULT-BWKNWUBXSA-N 1 0 389.543 4.425 20 0 GIADRO Cc1cccn2c(=O)cc(C[NH2+][C@H](C)[C@@H](C)c3ccccc3C(F)(F)F)nc12 ZINC000185823858 822824564 /nfs/dbraw/zinc/82/45/64/822824564.db2.gz BSDMWBQFYARCQG-HUUCEWRRSA-N 1 0 389.421 4.304 20 0 GIADRO C[NH+](C)CCCC1CCN(C(=O)c2cnc(Cc3ccccc3F)s2)CC1 ZINC000185840386 822826291 /nfs/dbraw/zinc/82/62/91/822826291.db2.gz MXCBFGVKWUFZRX-UHFFFAOYSA-N 1 0 389.540 4.067 20 0 GIADRO CC(C)CN(C(=O)c1cc(C(C)C)nc2c1cnn2C(C)C)C1CC[NH+](C)CC1 ZINC000053222809 822826724 /nfs/dbraw/zinc/82/67/24/822826724.db2.gz ARYJHPFPOWMYIB-UHFFFAOYSA-N 1 0 399.583 4.328 20 0 GIADRO O=S1(=O)CCCN1c1ccc(C[NH2+]Cc2ccc(-c3ccccc3)s2)cc1 ZINC000185860332 822827894 /nfs/dbraw/zinc/82/78/94/822827894.db2.gz OJRWMZSAALGVNE-UHFFFAOYSA-N 1 0 398.553 4.245 20 0 GIADRO CC(C)c1ccc(-c2nc(CN(C)CCC[NH+]3CCN(C)CC3)cs2)cc1 ZINC000174721593 822828394 /nfs/dbraw/zinc/82/83/94/822828394.db2.gz XUCUMZFSZHHQLO-UHFFFAOYSA-N 1 0 386.609 4.003 20 0 GIADRO CC[NH+](CC)[C@@H](C(=O)NCCC[C@@H]1CCOC1)c1cccc(C(F)(F)F)c1 ZINC000456742741 822828701 /nfs/dbraw/zinc/82/87/01/822828701.db2.gz KXNZSHHRSXJPKK-CRAIPNDOSA-N 1 0 386.458 4.021 20 0 GIADRO CC(C)CCO[C@@H](C)C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000456782075 822830521 /nfs/dbraw/zinc/83/05/21/822830521.db2.gz ADNSZYOPGUUKMI-HNNXBMFYSA-N 1 0 382.932 4.203 20 0 GIADRO CCCc1noc(CCCC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)n1 ZINC000053359839 822831677 /nfs/dbraw/zinc/83/16/77/822831677.db2.gz CMTQJLUERKGGSK-SFHVURJKSA-N 1 0 398.551 4.036 20 0 GIADRO CCCC(O)(CCC)CC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000456794099 822831858 /nfs/dbraw/zinc/83/18/58/822831858.db2.gz RKRZSNOOHXRDCJ-UHFFFAOYSA-N 1 0 396.959 4.473 20 0 GIADRO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3OC)cc2)C1 ZINC000174750155 822832162 /nfs/dbraw/zinc/83/21/62/822832162.db2.gz RNMQNFYMXACLBJ-SFHVURJKSA-N 1 0 383.492 4.436 20 0 GIADRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@H](C)OCc1ccccc1 ZINC000185911227 822832619 /nfs/dbraw/zinc/83/26/19/822832619.db2.gz DPVJNAHHHUHLQN-SFHVURJKSA-N 1 0 384.545 4.088 20 0 GIADRO Cc1noc(C)c1COc1cccc(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000053392211 822832691 /nfs/dbraw/zinc/83/26/91/822832691.db2.gz HRJBIVYQIIUCGH-MRXNPFEDSA-N 1 0 399.535 4.111 20 0 GIADRO O=C(Nc1cccc(-c2cc[nH]n2)c1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000185915521 822832976 /nfs/dbraw/zinc/83/29/76/822832976.db2.gz UTAGEMMWMHONSH-GOSISDBHSA-N 1 0 381.524 4.197 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)Nc2cccc(-c3cc[nH]n3)c2)CC1 ZINC000185919354 822833364 /nfs/dbraw/zinc/83/33/64/822833364.db2.gz UBOLHZIOXPJIJU-UHFFFAOYSA-N 1 0 389.503 4.205 20 0 GIADRO CC[C@H](NC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1nc(C)cs1 ZINC000174763240 822834161 /nfs/dbraw/zinc/83/41/61/822834161.db2.gz IVJMNXFWAQMHBZ-ZOBUZTSGSA-N 1 0 392.594 4.346 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)CC[N@@H+]1C ZINC000174768642 822834555 /nfs/dbraw/zinc/83/45/55/822834555.db2.gz QETTVLHSHIYMPS-CRAIPNDOSA-N 1 0 378.476 4.441 20 0 GIADRO C[C@H](OCc1ccccc1)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000185957528 822837204 /nfs/dbraw/zinc/83/72/04/822837204.db2.gz CQBOEDVRPSNDAS-ZRCGQRJVSA-N 1 0 380.532 4.103 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)NC[C@@H](c1ccccc1)C(F)(F)F ZINC000185962786 822838225 /nfs/dbraw/zinc/83/82/25/822838225.db2.gz CSSDVZHHXCFSLW-DLBZAZTESA-N 1 0 395.425 4.062 20 0 GIADRO COc1ccc([C@H](C)NC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1F ZINC000053524271 822838825 /nfs/dbraw/zinc/83/88/25/822838825.db2.gz NUWVCMCZSNUURW-MAUKXSAKSA-N 1 0 389.471 4.015 20 0 GIADRO C[C@H](NC(=O)NC[C@H](c1cccs1)[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000053529327 822839225 /nfs/dbraw/zinc/83/92/25/822839225.db2.gz CPTAWLQRQPDCTP-SWLSCSKDSA-N 1 0 385.455 4.430 20 0 GIADRO CN(Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000053534117 822839366 /nfs/dbraw/zinc/83/93/66/822839366.db2.gz OFALDLKRWJFLQX-KRWDZBQOSA-N 1 0 395.425 4.277 20 0 GIADRO CC[C@H]([NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1nc(C(F)(F)F)cs1 ZINC000185976975 822840073 /nfs/dbraw/zinc/84/00/73/822840073.db2.gz VPDLQKGBDAAXNL-RYUDHWBXSA-N 1 0 393.475 4.460 20 0 GIADRO COc1ccc([C@H](C)NC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1F ZINC000053548486 822840575 /nfs/dbraw/zinc/84/05/75/822840575.db2.gz OHHWBIKUVIHGRE-WMLDXEAASA-N 1 0 391.512 4.093 20 0 GIADRO C[C@@H](NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccc(F)cc1F ZINC000053548424 822840586 /nfs/dbraw/zinc/84/05/86/822840586.db2.gz DQBVKHKZCSDXKJ-CXAGYDPISA-N 1 0 379.476 4.224 20 0 GIADRO CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H]2c2cc(F)cc(Br)c2)CC1 ZINC000185981518 822840734 /nfs/dbraw/zinc/84/07/34/822840734.db2.gz KUANPLULMQLFJP-GOSISDBHSA-N 1 0 397.332 4.372 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc(-c3cc[nH]n3)c2)[C@@H]1c1cccs1 ZINC000185983212 822840838 /nfs/dbraw/zinc/84/08/38/822840838.db2.gz KUEJCUYFMZEYSD-OXQOHEQNSA-N 1 0 395.532 4.343 20 0 GIADRO Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000174820506 822841737 /nfs/dbraw/zinc/84/17/37/822841737.db2.gz UGOOUXAXBZLQIX-MJGOQNOKSA-N 1 0 395.551 4.179 20 0 GIADRO CCCC[C@@H](CC)CNC(=S)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000053585052 822841758 /nfs/dbraw/zinc/84/17/58/822841758.db2.gz KUFQQZGXJFKWQM-LJQANCHMSA-N 1 0 386.609 4.157 20 0 GIADRO C[N@H+](Cc1coc(-c2cccc(F)c2)n1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000174827706 822842613 /nfs/dbraw/zinc/84/26/13/822842613.db2.gz HEUDJOSAIASNQF-UHFFFAOYSA-N 1 0 389.471 4.312 20 0 GIADRO Clc1cnccc1C[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000174830924 822843173 /nfs/dbraw/zinc/84/31/73/822843173.db2.gz RCPOVCFKKUCITL-UHFFFAOYSA-N 1 0 381.701 4.293 20 0 GIADRO CC(C)(C)[C@@H]([NH2+]Cc1nc(=O)c2c3c(sc2[nH]1)CCC3)c1ccc(F)cc1 ZINC000053644295 822843705 /nfs/dbraw/zinc/84/37/05/822843705.db2.gz WLLYEOCGOQHZEZ-SFHVURJKSA-N 1 0 385.508 4.489 20 0 GIADRO COc1ccc([C@@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)c2ccco2)cc1 ZINC000456987056 822844817 /nfs/dbraw/zinc/84/48/17/822844817.db2.gz DBEKNGSCDKWFCB-HSZRJFAPSA-N 1 0 390.483 4.403 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1cccc(Cl)c1Cl ZINC000186039018 822846150 /nfs/dbraw/zinc/84/61/50/822846150.db2.gz LYWWIBDRCKXSRV-ZDUSSCGKSA-N 1 0 399.343 4.384 20 0 GIADRO COc1ccc(N2CCC[N@@H+]([C@@H](C)C(=O)Nc3c(C)cc(C)cc3C)CC2)cc1 ZINC000053772778 822847475 /nfs/dbraw/zinc/84/74/75/822847475.db2.gz GSZCZRUOOZKBNR-FQEVSTJZSA-N 1 0 395.547 4.160 20 0 GIADRO COc1cc(F)cc(C[C@@H](C)NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000457056003 822848617 /nfs/dbraw/zinc/84/86/17/822848617.db2.gz LSNFJCCBXSBRFW-GOSISDBHSA-N 1 0 398.522 4.184 20 0 GIADRO Cc1ccc2cc(C(=O)N(C)C3CC[NH+](CCC(F)(F)F)CC3)ccc2n1 ZINC000457062305 822849047 /nfs/dbraw/zinc/84/90/47/822849047.db2.gz AHFCPDXPQWTSJR-UHFFFAOYSA-N 1 0 379.426 4.032 20 0 GIADRO CN(C(=O)c1nc2ccccc2cc1Cl)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457076195 822850417 /nfs/dbraw/zinc/85/04/17/822850417.db2.gz XNRVTLSQYTUCNI-UHFFFAOYSA-N 1 0 399.844 4.377 20 0 GIADRO CCCCOc1ccc(C(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000457082759 822851055 /nfs/dbraw/zinc/85/10/55/822851055.db2.gz JAFCSIQGCODDNF-UHFFFAOYSA-N 1 0 386.458 4.354 20 0 GIADRO Cc1cc2occ(CC(=O)N(C)C3CC[NH+](CCC(F)(F)F)CC3)c2cc1C ZINC000457081894 822851082 /nfs/dbraw/zinc/85/10/82/822851082.db2.gz ICTKHINOTZYKDM-UHFFFAOYSA-N 1 0 396.453 4.467 20 0 GIADRO C[C@@H]([NH2+]C(C)(C)CNC(=O)NCc1coc(-c2ccccc2)n1)c1ccccc1 ZINC000174889535 822851364 /nfs/dbraw/zinc/85/13/64/822851364.db2.gz WRCAMOMAVJTUKW-QGZVFWFLSA-N 1 0 392.503 4.270 20 0 GIADRO CN(C(=O)CCc1nc2ccccc2s1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457084534 822851521 /nfs/dbraw/zinc/85/15/21/822851521.db2.gz LPMKWLUNVHOTGQ-UHFFFAOYSA-N 1 0 399.482 4.104 20 0 GIADRO C[NH+](C)CC[C@H](NC(=O)Nc1ccccc1CC(=O)OC(C)(C)C)C(C)(C)C ZINC000174904889 822853585 /nfs/dbraw/zinc/85/35/85/822853585.db2.gz FGXXSEANLOBONM-SFHVURJKSA-N 1 0 391.556 4.059 20 0 GIADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC=CC[C@@H]2c2nc3ccccc3s2)C1 ZINC000457110667 822854104 /nfs/dbraw/zinc/85/41/04/822854104.db2.gz ICYIWGIVLUXCMN-BZSNNMDCSA-N 1 0 383.561 4.287 20 0 GIADRO O=C(N[C@@H]1CCSc2ccccc21)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000053962670 822854509 /nfs/dbraw/zinc/85/45/09/822854509.db2.gz BCRZRYIVZKQYKA-HXUWFJFHSA-N 1 0 381.545 4.141 20 0 GIADRO Cc1cnc([C@@H](NC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)C2CC2)s1 ZINC000174912965 822854859 /nfs/dbraw/zinc/85/48/59/822854859.db2.gz ATLXJMXNNUJEDE-MOPGFXCFSA-N 1 0 384.549 4.039 20 0 GIADRO CCC[C@H]([NH2+][C@@H](C)c1sccc1OC)C(=O)N1CCc2sccc2C1 ZINC000186147975 822855717 /nfs/dbraw/zinc/85/57/17/822855717.db2.gz JYRNHKLQSQOIIY-ZFWWWQNUSA-N 1 0 378.563 4.222 20 0 GIADRO CC[C@@H](C)[C@@H](C)C(=O)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000457124822 822855770 /nfs/dbraw/zinc/85/57/70/822855770.db2.gz XUGYZIHAUZUXRK-QZTJIDSGSA-N 1 0 391.987 4.135 20 0 GIADRO Cc1sc(-c2ccco2)nc1C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174918962 822856064 /nfs/dbraw/zinc/85/60/64/822856064.db2.gz MTXLREOKRBCMSN-GOSISDBHSA-N 1 0 395.528 4.306 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)Nc1ccc2c(c1)OCCCO2 ZINC000054004125 822856846 /nfs/dbraw/zinc/85/68/46/822856846.db2.gz ZQWQRHKPWNHVHS-UHFFFAOYSA-N 1 0 395.503 4.156 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000174926017 822856855 /nfs/dbraw/zinc/85/68/55/822856855.db2.gz MVNAZGJZQZYCFJ-UHFFFAOYSA-N 1 0 386.462 4.015 20 0 GIADRO Cc1nc(C(F)(F)F)ccc1C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174925950 822856903 /nfs/dbraw/zinc/85/69/03/822856903.db2.gz MLNKKDDUQZHRAZ-KRWDZBQOSA-N 1 0 391.437 4.003 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ncoc1-c1ccc(F)cc1 ZINC000186166437 822857489 /nfs/dbraw/zinc/85/74/89/822857489.db2.gz GGLOLJFYIINPQH-GOSISDBHSA-N 1 0 393.462 4.075 20 0 GIADRO C[C@@]1(C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CCCC[C@@H]1O ZINC000174936540 822858209 /nfs/dbraw/zinc/85/82/09/822858209.db2.gz WQUKDANFHBFPIG-UPVQGACJSA-N 1 0 390.531 4.024 20 0 GIADRO Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000457174866 822858985 /nfs/dbraw/zinc/85/89/85/822858985.db2.gz XCGLZBYFEGFTIB-UHFFFAOYSA-N 1 0 394.441 4.008 20 0 GIADRO COc1ccsc1[C@@H](C)[NH2+]CCC(=O)Nc1cc(C)c(Cl)cc1OC ZINC000186185982 822859007 /nfs/dbraw/zinc/85/90/07/822859007.db2.gz GBFUNBJXRQJVCB-GFCCVEGCSA-N 1 0 382.913 4.407 20 0 GIADRO COCc1cccc(CC(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)c1 ZINC000186186782 822859243 /nfs/dbraw/zinc/85/92/43/822859243.db2.gz DNYPMQVRMXMQKY-HXUWFJFHSA-N 1 0 386.561 4.026 20 0 GIADRO COCCCCC(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457192533 822859688 /nfs/dbraw/zinc/85/96/88/822859688.db2.gz CWOOOYVAUMHVGQ-QHCPKHFHSA-N 1 0 386.580 4.487 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(Cl)cc2cccnc21 ZINC000174948153 822859733 /nfs/dbraw/zinc/85/97/33/822859733.db2.gz ZZDYPTKJOXDATB-SFHVURJKSA-N 1 0 393.918 4.482 20 0 GIADRO C[C@@H]1C[C@@H](C(=O)N2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000457192615 822859727 /nfs/dbraw/zinc/85/97/27/822859727.db2.gz DOJMAXZQMJRUBF-QDSKXPNFSA-N 1 0 398.591 4.485 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)c2ccc(-n3cc[nH]c3=S)cc2)c1 ZINC000054032741 822859779 /nfs/dbraw/zinc/85/97/79/822859779.db2.gz XDGWTYBXAUMHCW-UHFFFAOYSA-N 1 0 394.544 4.307 20 0 GIADRO C[C@@H]1COCC[C@H]1C(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457193801 822859964 /nfs/dbraw/zinc/85/99/64/822859964.db2.gz JGZLCXKFWYJMPL-HUVFLSCGSA-N 1 0 398.591 4.342 20 0 GIADRO O=C(c1ccsn1)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457194585 822860014 /nfs/dbraw/zinc/86/00/14/822860014.db2.gz MEJKBJZYABNUGF-NRFANRHFSA-N 1 0 383.561 4.440 20 0 GIADRO O=C([C@@H]1C[C@]12CCOC2)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457197188 822860188 /nfs/dbraw/zinc/86/01/88/822860188.db2.gz TVONYQQAYLFLMH-ARNLJNQMSA-N 1 0 396.575 4.096 20 0 GIADRO C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)NC(C)(C)C[NH+](C)C ZINC000457206020 822860554 /nfs/dbraw/zinc/86/05/54/822860554.db2.gz LCXZLBIOARHVHH-ZDUSSCGKSA-N 1 0 395.956 4.073 20 0 GIADRO CC(C)c1c(C(=O)NCCCC[N@H+](C)C2CC2)cnn1-c1ccc(Cl)cc1 ZINC000457205448 822860619 /nfs/dbraw/zinc/86/06/19/822860619.db2.gz QUSKCDTUGGWINH-UHFFFAOYSA-N 1 0 388.943 4.253 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc2ccc(Cl)cc2[nH]1 ZINC000174954515 822860774 /nfs/dbraw/zinc/86/07/74/822860774.db2.gz DBAMYOTWPJYQHO-QGZVFWFLSA-N 1 0 381.907 4.415 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccccc1Br ZINC000174957204 822861022 /nfs/dbraw/zinc/86/10/22/822861022.db2.gz LDTRGMYCOKVAFQ-QGZVFWFLSA-N 1 0 387.321 4.043 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC000174956929 822861075 /nfs/dbraw/zinc/86/10/75/822861075.db2.gz CJUXNPBVWKEEOS-GOSISDBHSA-N 1 0 395.934 4.344 20 0 GIADRO Cc1ccc(NC(=O)[C@H](C)CCc2cccc(F)c2)cc1NC(=O)CC[NH+](C)C ZINC000186207068 822861076 /nfs/dbraw/zinc/86/10/76/822861076.db2.gz QFBOKFNXIQXBCB-QGZVFWFLSA-N 1 0 399.510 4.232 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(Cc2ncc(-c3ccc(Br)cc3)o2)C1 ZINC000174962005 822861870 /nfs/dbraw/zinc/86/18/70/822861870.db2.gz QLWYCPCQODVEEG-OAHLLOKOSA-N 1 0 392.341 4.268 20 0 GIADRO CCOc1ccc([C@@H](C)NC(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000054092912 822862058 /nfs/dbraw/zinc/86/20/58/822862058.db2.gz VNZPWBIGHYFKJN-GOSISDBHSA-N 1 0 381.520 4.242 20 0 GIADRO Cc1cc2occ(C(=O)NC3CC[NH+]([C@H](C)c4ccncc4)CC3)c2cc1C ZINC000186224989 822862284 /nfs/dbraw/zinc/86/22/84/822862284.db2.gz XFIOUMGOWOORJU-QGZVFWFLSA-N 1 0 377.488 4.400 20 0 GIADRO CCc1ccc(CCC(=O)Nc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)cc1 ZINC000186225812 822862471 /nfs/dbraw/zinc/86/24/71/822862471.db2.gz UUSHCPODZPAILA-UHFFFAOYSA-N 1 0 381.520 4.019 20 0 GIADRO COc1ccc(S[C@H](C)C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000174969837 822862634 /nfs/dbraw/zinc/86/26/34/822862634.db2.gz RKGSCXJFBGPMOD-QUCCMNQESA-N 1 0 398.572 4.156 20 0 GIADRO Cc1ccc(NC(=O)[C@@H](C)c2cc3ccccc3o2)cc1NC(=O)CC[NH+](C)C ZINC000186234698 822863461 /nfs/dbraw/zinc/86/34/61/822863461.db2.gz MHYLRYOEUYBJGK-INIZCTEOSA-N 1 0 393.487 4.374 20 0 GIADRO CCC(CC)c1cc(C(=O)Nc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)on1 ZINC000186252630 822865162 /nfs/dbraw/zinc/86/51/62/822865162.db2.gz SVYYSCXJQDPABC-UHFFFAOYSA-N 1 0 386.496 4.029 20 0 GIADRO C/C(=C\c1ccc(C)cc1)C(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1 ZINC000186257077 822865846 /nfs/dbraw/zinc/86/58/46/822865846.db2.gz ZUXFHCMVGZUDID-NBVRZTHBSA-N 1 0 379.504 4.236 20 0 GIADRO C[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)Cc1ccc(F)c(Br)c1 ZINC000054174381 822865925 /nfs/dbraw/zinc/86/59/25/822865925.db2.gz QWNMUFIBBSAQIF-UHFFFAOYSA-N 1 0 391.284 4.112 20 0 GIADRO COc1cccc(F)c1NC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000186259300 822866024 /nfs/dbraw/zinc/86/60/24/822866024.db2.gz XEOJHOLIQDRLSP-UHFFFAOYSA-N 1 0 385.483 4.007 20 0 GIADRO O=C(NCc1ccncc1)Nc1cccc(C[NH2+][C@@H]2CCc3ccc(F)cc32)c1 ZINC000175006466 822866141 /nfs/dbraw/zinc/86/61/41/822866141.db2.gz MSBOUIHWWQIWEY-JOCHJYFZSA-N 1 0 390.462 4.320 20 0 GIADRO CC(C)c1ccccc1OC[C@@H](O)C[NH2+][C@H](C)c1nccn1-c1ccccc1 ZINC000568977079 822867005 /nfs/dbraw/zinc/86/70/05/822867005.db2.gz MMJZUGPWYLJRFQ-QUCCMNQESA-N 1 0 379.504 4.086 20 0 GIADRO CC(C)c1ccccc1OC[C@H](O)C[NH2+][C@@H](C)c1nccn1-c1ccccc1 ZINC000568977076 822867013 /nfs/dbraw/zinc/86/70/13/822867013.db2.gz MMJZUGPWYLJRFQ-AZUAARDMSA-N 1 0 379.504 4.086 20 0 GIADRO Cc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CC2)cc1NC(=O)CC[NH+](C)C ZINC000186267169 822867352 /nfs/dbraw/zinc/86/73/52/822867352.db2.gz HMIZCNKWDQQRDQ-UHFFFAOYSA-N 1 0 399.922 4.209 20 0 GIADRO O=C(COc1ccc(Cl)cc1)NC1CCC([NH2+][C@H]2CCC[C@H](F)C2)CC1 ZINC000568983399 822867345 /nfs/dbraw/zinc/86/73/45/822867345.db2.gz IYZITTAHWIQYAB-BFWZDYSYSA-N 1 0 382.907 4.017 20 0 GIADRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@H](c3cccnc3)C2)c1 ZINC000568988037 822867646 /nfs/dbraw/zinc/86/76/46/822867646.db2.gz MTASBOSRRONDRE-DEOSSOPVSA-N 1 0 385.511 4.343 20 0 GIADRO Cc1ccc(NC(=O)C[C@H](C)c2ccccc2C)cc1NC(=O)CC[NH+](C)C ZINC000186270240 822867733 /nfs/dbraw/zinc/86/77/33/822867733.db2.gz AZKJURWTZJXEJQ-SFHVURJKSA-N 1 0 381.520 4.326 20 0 GIADRO Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)cc1NC(=O)CC[NH+](C)C ZINC000186269817 822867737 /nfs/dbraw/zinc/86/77/37/822867737.db2.gz RMUYSTNXOMCBOJ-MSOLQXFVSA-N 1 0 399.922 4.281 20 0 GIADRO COCC[N@H+](CCOc1ccc(Cl)cc1Br)Cc1ccccn1 ZINC000568993832 822867984 /nfs/dbraw/zinc/86/79/84/822867984.db2.gz BJQLKWPHJZGSHG-UHFFFAOYSA-N 1 0 399.716 4.025 20 0 GIADRO C[C@H](OC[C@@H](O)C[NH2+]Cc1nc2ccccc2n1C1CC1)c1ccc(Cl)cc1 ZINC000568993620 822868024 /nfs/dbraw/zinc/86/80/24/822868024.db2.gz TZFPMUOSSFFPEB-KXBFYZLASA-N 1 0 399.922 4.253 20 0 GIADRO Cc1cccnc1NC(=O)C1CC[NH+](Cc2cc(-c3ccc(F)cc3)no2)CC1 ZINC000054208131 822868445 /nfs/dbraw/zinc/86/84/45/822868445.db2.gz CAAOZYZFQPTPRK-UHFFFAOYSA-N 1 0 394.450 4.035 20 0 GIADRO C[NH2+]Cc1ccc(NC(=O)[C@H]2C[C@]23CCc2cc(Br)ccc23)cc1 ZINC000569004439 822868837 /nfs/dbraw/zinc/86/88/37/822868837.db2.gz FBPGPDUZVQXUJJ-QUCCMNQESA-N 1 0 385.305 4.011 20 0 GIADRO CC(C)CN(C(=O)[C@@H]1CCc2cc(Br)ccc21)C1CC[NH+](C)CC1 ZINC000569004395 822868887 /nfs/dbraw/zinc/86/88/87/822868887.db2.gz CVTWGQLRTIXYCZ-LJQANCHMSA-N 1 0 393.369 4.058 20 0 GIADRO CCn1c(-c2ncccc2C)nnc1N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000569006102 822868970 /nfs/dbraw/zinc/86/89/70/822868970.db2.gz IZGHXKMROAHTFE-LJQANCHMSA-N 1 0 396.583 4.149 20 0 GIADRO COc1ccc2oc(C)c(C(=O)N[C@@H]3CC[N@@H+]([C@@H](C)c4ccccc4)C3)c2c1 ZINC000054222915 822869016 /nfs/dbraw/zinc/86/90/16/822869016.db2.gz NUNSHSWBMHVBEY-MAUKXSAKSA-N 1 0 378.472 4.315 20 0 GIADRO C[C@H]1C[C@@H](CCNC(=O)Nc2cc(C3CC3)ccn2)C[N@@H+]1Cc1ccccc1 ZINC000569010756 822869273 /nfs/dbraw/zinc/86/92/73/822869273.db2.gz QSKGOUIWIFMEMU-PKOBYXMFSA-N 1 0 378.520 4.381 20 0 GIADRO C[C@H]1C[C@H](CCNC(=O)Nc2cc(C3CC3)ccn2)C[N@@H+]1Cc1ccccc1 ZINC000569010753 822869309 /nfs/dbraw/zinc/86/93/09/822869309.db2.gz QSKGOUIWIFMEMU-HKUYNNGSSA-N 1 0 378.520 4.381 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)C1 ZINC000054222956 822869354 /nfs/dbraw/zinc/86/93/54/822869354.db2.gz BTICPGMJDCADPD-APWZRJJASA-N 1 0 380.536 4.081 20 0 GIADRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)CCc1c2cc(F)ccc2[nH]c1-c1ccccc1 ZINC000457357201 822870067 /nfs/dbraw/zinc/87/00/67/822870067.db2.gz ITMWGANVLCCXKV-FOIQADDNSA-N 1 0 379.479 4.245 20 0 GIADRO COc1cc(C[NH2+]CCC[C@@H]2CCCCO2)ccc1OCc1c(C)noc1C ZINC000186283022 822870191 /nfs/dbraw/zinc/87/01/91/822870191.db2.gz KWVRXRDWCACRLK-IBGZPJMESA-N 1 0 388.508 4.318 20 0 GIADRO COc1ccc([C@H]2CCN(C(=O)c3c(Cl)cccc3Cl)C[C@H]2[NH3+])cc1F ZINC000457367897 822870759 /nfs/dbraw/zinc/87/07/59/822870759.db2.gz FCSLYOHCNSOPLQ-MLGOLLRUSA-N 1 0 397.277 4.098 20 0 GIADRO Cc1csc(-c2cccc(C(=O)N3CC[C@H](c4ccc(F)cc4)[C@@H]([NH3+])C3)c2)n1 ZINC000457375637 822871339 /nfs/dbraw/zinc/87/13/39/822871339.db2.gz YFFRKLGBEJSBOT-UXHICEINSA-N 1 0 395.503 4.215 20 0 GIADRO Cc1nc(-c2ccccc2)sc1C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000457380091 822871673 /nfs/dbraw/zinc/87/16/73/822871673.db2.gz OKRVFFBVTYRYAR-MOPGFXCFSA-N 1 0 395.503 4.215 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N(C)C1CCCCC1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000175036119 822871637 /nfs/dbraw/zinc/87/16/37/822871637.db2.gz IPWFQLLSWLYLQQ-GOSISDBHSA-N 1 0 393.531 4.381 20 0 GIADRO C[N@H+](CCNC(=O)c1ccccc1SCc1cscn1)Cc1ccccc1 ZINC000054265631 822871760 /nfs/dbraw/zinc/87/17/60/822871760.db2.gz ADQCDKBXFDDABQ-UHFFFAOYSA-N 1 0 397.569 4.297 20 0 GIADRO COc1ccc([C@H]2CCN(C(=O)c3ccc(Cl)c(Cl)c3)C[C@H]2[NH3+])cc1F ZINC000457386861 822872078 /nfs/dbraw/zinc/87/20/78/822872078.db2.gz UDOFMGZEEURQGN-CXAGYDPISA-N 1 0 397.277 4.098 20 0 GIADRO COc1ccc([C@@H]2CCN(C(=O)[C@H](C)c3cc4ccccc4o3)C[C@@H]2[NH3+])cc1F ZINC000457389245 822872290 /nfs/dbraw/zinc/87/22/90/822872290.db2.gz VXQGAIDNDCTGPZ-LJHODMEESA-N 1 0 396.462 4.027 20 0 GIADRO COc1ccc([C@@H]2CCN(C(=O)c3cc(Cl)cc(Cl)c3)C[C@@H]2[NH3+])cc1F ZINC000457393351 822872581 /nfs/dbraw/zinc/87/25/81/822872581.db2.gz ZGFRIDCHXMXZNH-RDJZCZTQSA-N 1 0 397.277 4.098 20 0 GIADRO C[C@H](CC(F)(F)F)C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000457397808 822872748 /nfs/dbraw/zinc/87/27/48/822872748.db2.gz ILGSHFFZMRRLDR-CYBMUJFWSA-N 1 0 396.375 4.328 20 0 GIADRO COc1cccc(OC)c1OCCCC[N@@H+]1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000569047069 822873398 /nfs/dbraw/zinc/87/33/98/822873398.db2.gz NPDLRGCABHQJDJ-ICSRJNTNSA-N 1 0 385.504 4.325 20 0 GIADRO COc1cc(CNC(=O)c2cc3cccc(C)c3s2)ccc1OCC[NH+](C)C ZINC000569046990 822873440 /nfs/dbraw/zinc/87/34/40/822873440.db2.gz GIDRJUYMLBEPDU-UHFFFAOYSA-N 1 0 398.528 4.089 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccccc2-n2cccn2)[C@@H]1c1cccs1 ZINC000175048782 822873452 /nfs/dbraw/zinc/87/34/52/822873452.db2.gz CYGACKOMIZIEPM-OXQOHEQNSA-N 1 0 395.532 4.138 20 0 GIADRO C[C@@H](Cc1cccc(F)c1)N(C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000457421687 822874176 /nfs/dbraw/zinc/87/41/76/822874176.db2.gz YSXVGCGCBMZRCS-SFHVURJKSA-N 1 0 383.511 4.063 20 0 GIADRO CCN(C(=O)c1oc(-c2ccccc2)nc1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186310212 822874431 /nfs/dbraw/zinc/87/44/31/822874431.db2.gz PTTRJPIMOVRFCR-OAQYLSRUSA-N 1 0 389.499 4.387 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCC1)[C@H]1CCN(c2ccccc2Cl)C1 ZINC000569054808 822874500 /nfs/dbraw/zinc/87/45/00/822874500.db2.gz XXVVLRJVVRYQKB-FQEVSTJZSA-N 1 0 397.950 4.079 20 0 GIADRO CC(C)[NH+]1CCC(N(C)C(=O)c2ccc(Oc3cccc(Cl)c3)cn2)CC1 ZINC000457432336 822874829 /nfs/dbraw/zinc/87/48/29/822874829.db2.gz MASLXFONIGSKAI-UHFFFAOYSA-N 1 0 387.911 4.472 20 0 GIADRO COc1cc(C[N@H+](C)CCCc2cnn(C)c2)ccc1OCc1ccccc1 ZINC000054315732 822875821 /nfs/dbraw/zinc/87/58/21/822875821.db2.gz PFBXWNCSKDJLDL-UHFFFAOYSA-N 1 0 379.504 4.072 20 0 GIADRO O=C(CN1CCC[N@H+](CC2CCCCC2)CC1)Nc1ccc(F)cc1Cl ZINC000054318538 822875979 /nfs/dbraw/zinc/87/59/79/822875979.db2.gz VINFLFPQLRWVFM-UHFFFAOYSA-N 1 0 381.923 4.006 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000457451598 822876100 /nfs/dbraw/zinc/87/61/00/822876100.db2.gz RALPNUCLZRYYEC-XLIONFOSSA-N 1 0 383.492 4.336 20 0 GIADRO CC(=O)CCc1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2cc3ccccc3o2)cc1 ZINC000569066527 822876114 /nfs/dbraw/zinc/87/61/14/822876114.db2.gz IAWNFEQUFBZTFZ-XLIONFOSSA-N 1 0 381.472 4.045 20 0 GIADRO CC(C)C[C@H]1OCCC[C@@H]1[NH2+]CC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000186325709 822876286 /nfs/dbraw/zinc/87/62/86/822876286.db2.gz AEMBTLXSJZNHKT-LSDHHAIUSA-N 1 0 392.849 4.481 20 0 GIADRO CC[C@@H](NC(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)c1nc(C)cs1 ZINC000186330407 822876893 /nfs/dbraw/zinc/87/68/93/822876893.db2.gz JBESQFIMYYGPJT-MOPGFXCFSA-N 1 0 386.565 4.112 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)N1CCC[C@H]1c1ccc(F)cc1F)c1cccs1 ZINC000457471182 822878238 /nfs/dbraw/zinc/87/82/38/822878238.db2.gz ZDYREAKFUJJRBD-DLBZAZTESA-N 1 0 379.476 4.176 20 0 GIADRO Cc1cccc([C@@H]2CCCCN2C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)c1C ZINC000175076714 822878287 /nfs/dbraw/zinc/87/82/87/822878287.db2.gz ZJNXJEIPWNUONZ-OFNKIYASSA-N 1 0 399.579 4.041 20 0 GIADRO O=C(c1ccc(C[NH+]2CCC(OCc3ccccc3)CC2)cc1)N1CCCC1 ZINC000054359198 822878481 /nfs/dbraw/zinc/87/84/81/822878481.db2.gz GZFFHZKUGMTOEW-UHFFFAOYSA-N 1 0 378.516 4.104 20 0 GIADRO CC(C)Nc1ncccc1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000175083790 822879363 /nfs/dbraw/zinc/87/93/63/822879363.db2.gz UJAQZPDAJKNJHD-ICSRJNTNSA-N 1 0 380.536 4.027 20 0 GIADRO CCN(Cc1ccccc1)C(=O)c1cc(NC(=O)CCCC[NH3+])ccc1Cl ZINC000569104772 822880125 /nfs/dbraw/zinc/88/01/25/822880125.db2.gz VQAGZSLEIXJOJL-UHFFFAOYSA-N 1 0 387.911 4.070 20 0 GIADRO CC(C)C(=O)Nc1ccc(NC(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc1 ZINC000054384439 822880320 /nfs/dbraw/zinc/88/03/20/822880320.db2.gz SLZPLLIUMGXNNB-LAUBAEHRSA-N 1 0 394.519 4.238 20 0 GIADRO Cc1cc(Br)c(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)s1 ZINC000457492869 822881508 /nfs/dbraw/zinc/88/15/08/822881508.db2.gz BRGRXLCJROXHQD-HNNXBMFYSA-N 1 0 381.339 4.160 20 0 GIADRO CCn1c(-c2ccc3ccccc3c2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000569125513 822881861 /nfs/dbraw/zinc/88/18/61/822881861.db2.gz PBUWVQYXEHMAGY-SFHVURJKSA-N 1 0 377.536 4.286 20 0 GIADRO CCN(CC)C(=O)c1cccc(NC(=O)C[NH2+][C@@H](c2ccccc2)C(C)(C)C)c1 ZINC000054397176 822882029 /nfs/dbraw/zinc/88/20/29/822882029.db2.gz PYWMEAOSGXPBAF-QFIPXVFZSA-N 1 0 395.547 4.484 20 0 GIADRO CCc1noc(-c2ccc(C)c(NC(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)c2)n1 ZINC000175100508 822882231 /nfs/dbraw/zinc/88/22/31/822882231.db2.gz MTVHFISSUWCAPV-QGZVFWFLSA-N 1 0 382.508 4.201 20 0 GIADRO C[C@@H](CC(F)(F)F)C(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000457506682 822883264 /nfs/dbraw/zinc/88/32/64/822883264.db2.gz VLZJGKKDWYECRU-LBPRGKRZSA-N 1 0 384.364 4.184 20 0 GIADRO C[C@H]([NH2+]Cc1ccc2c(c1)COC(C)(C)O2)c1cccc(N2CCOC2=O)c1 ZINC000186371136 822883299 /nfs/dbraw/zinc/88/32/99/822883299.db2.gz TWJOSPUPRIANHT-HNNXBMFYSA-N 1 0 382.460 4.139 20 0 GIADRO CC[N@H+](CCC(=O)Nc1c(C)nn(-c2ccccc2)c1C)Cc1ccccc1 ZINC000054423953 822883663 /nfs/dbraw/zinc/88/36/63/822883663.db2.gz AWPRJUYOWIYXSC-UHFFFAOYSA-N 1 0 376.504 4.340 20 0 GIADRO CCC[N@H+](CCC(=O)Nc1ccccc1SC)CC(=O)Nc1ccccc1C ZINC000054425461 822883804 /nfs/dbraw/zinc/88/38/04/822883804.db2.gz XOHLPDVHPBUECG-UHFFFAOYSA-N 1 0 399.560 4.396 20 0 GIADRO CC(C)(C)OC(=O)N1CCC(C[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)CC1 ZINC000186373628 822883876 /nfs/dbraw/zinc/88/38/76/822883876.db2.gz LIYXRLSOFSKCOO-UHFFFAOYSA-N 1 0 390.524 4.068 20 0 GIADRO COc1cc(-c2nc(C[NH2+][C@@H]3CCCO[C@@H]3CC(C)C)cs2)ccc1O ZINC000186377868 822884676 /nfs/dbraw/zinc/88/46/76/822884676.db2.gz VPSHOUGKPXGIGS-SJLPKXTDSA-N 1 0 376.522 4.208 20 0 GIADRO COc1ccccc1[C@H](C[NH2+][C@H](c1cnn(C)c1)c1cccc(F)c1)OC(C)C ZINC000186383202 822885672 /nfs/dbraw/zinc/88/56/72/822885672.db2.gz MNTAISMUONSDDV-GOTSBHOMSA-N 1 0 397.494 4.413 20 0 GIADRO COc1cccc(N2CCC[C@@H]([NH2+]Cc3ccc4c(c3)COC(C)(C)O4)C2)c1 ZINC000186385428 822885827 /nfs/dbraw/zinc/88/58/27/822885827.db2.gz NRTDUYLODNIADD-LJQANCHMSA-N 1 0 382.504 4.099 20 0 GIADRO CN(C)[C@H](C[NH2+]Cc1ccc2c(c1)COC(C)(C)O2)c1c(F)cccc1F ZINC000186386997 822886102 /nfs/dbraw/zinc/88/61/02/822886102.db2.gz HLENTFYBVGGZJN-GOSISDBHSA-N 1 0 376.447 4.002 20 0 GIADRO COc1ccc([C@H](C[NH2+][C@H](C)c2csc(C(C)C)n2)N(C)C)cc1OC ZINC000186393580 822887107 /nfs/dbraw/zinc/88/71/07/822887107.db2.gz MACHGWCASUBKOH-PBHICJAKSA-N 1 0 377.554 4.237 20 0 GIADRO CC1(C)[C@H]([NH2+]C2CCN(Cc3cccnc3)CC2)C[C@@H]1OCc1ccccc1 ZINC000186395144 822887483 /nfs/dbraw/zinc/88/74/83/822887483.db2.gz PBQAPCJLXYWVTO-PKTZIBPZSA-N 1 0 379.548 4.020 20 0 GIADRO CCCCOc1cccc(NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000054469801 822888006 /nfs/dbraw/zinc/88/80/06/822888006.db2.gz FEXGVHYNICMVQD-UHFFFAOYSA-N 1 0 382.508 4.047 20 0 GIADRO CC[NH+]1CCC(n2nccc2NC(=O)Cc2ccccc2OC2CCCC2)CC1 ZINC000457541981 822888056 /nfs/dbraw/zinc/88/80/56/822888056.db2.gz QXCIQCHNHRSJLD-UHFFFAOYSA-N 1 0 396.535 4.043 20 0 GIADRO C[C@H](Nc1ccc(N2CC[NH+](C)CC2)cc1)c1cc(Br)ccc1O ZINC000186401103 822888276 /nfs/dbraw/zinc/88/82/76/822888276.db2.gz PWPWWFHGJGUTTD-AWEZNQCLSA-N 1 0 390.325 4.080 20 0 GIADRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3ccc4c(c3)COC(C)(C)O4)ccc2NC1=O ZINC000186407969 822889730 /nfs/dbraw/zinc/88/97/30/822889730.db2.gz PNMCDMBSFOMZCF-KUHUBIRLSA-N 1 0 396.487 4.292 20 0 GIADRO C[C@@H](CC(F)(F)F)C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000457551125 822889754 /nfs/dbraw/zinc/88/97/54/822889754.db2.gz NVDPMZOICVJMIO-ZDUSSCGKSA-N 1 0 376.850 4.257 20 0 GIADRO C[C@H](NC(=O)NCCCCC[NH+]1CCCCC1)c1nc(C2CCCCC2)no1 ZINC000175136760 822889684 /nfs/dbraw/zinc/88/96/84/822889684.db2.gz BITARDFJAABBMO-KRWDZBQOSA-N 1 0 391.560 4.134 20 0 GIADRO CCOC(=O)N1CCC([C@@H](C)[NH2+]Cc2ncc(-c3cccc(Cl)c3)o2)CC1 ZINC000186410166 822890015 /nfs/dbraw/zinc/89/00/15/822890015.db2.gz MVSQHQQLQDUZCH-CQSZACIVSA-N 1 0 391.899 4.342 20 0 GIADRO CCOC(=O)c1ccsc1NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000175138556 822890097 /nfs/dbraw/zinc/89/00/97/822890097.db2.gz NDMTVJIGVOASLP-MRXNPFEDSA-N 1 0 393.553 4.045 20 0 GIADRO CCOC(=O)c1ccsc1NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000175138569 822890217 /nfs/dbraw/zinc/89/02/17/822890217.db2.gz NDMTVJIGVOASLP-INIZCTEOSA-N 1 0 393.553 4.045 20 0 GIADRO CCc1cnc(CN(Cc2ccncc2)[C@H]2CCC[N@H+](Cc3ccccc3)C2)o1 ZINC000569186017 822890347 /nfs/dbraw/zinc/89/03/47/822890347.db2.gz IYZNLJUYQSBTCE-QFIPXVFZSA-N 1 0 390.531 4.299 20 0 GIADRO Cn1c(=S)n(CN2CCC(C[NH+]3CCCCCC3)CC2)nc1-c1ccccc1 ZINC000054487877 822890599 /nfs/dbraw/zinc/89/05/99/822890599.db2.gz FXSQPLIAPPCJJB-UHFFFAOYSA-N 1 0 399.608 4.164 20 0 GIADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)N[C@H]3CCSc4ccc(Cl)cc43)C2)C1 ZINC000457558447 822891132 /nfs/dbraw/zinc/89/11/32/822891132.db2.gz TWYBVCIVTIQXFU-QFBILLFUSA-N 1 0 379.957 4.004 20 0 GIADRO CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)C1 ZINC000054510015 822891480 /nfs/dbraw/zinc/89/14/80/822891480.db2.gz BTCCAIQCSUVQBO-KXBFYZLASA-N 1 0 375.513 4.008 20 0 GIADRO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCC[C@@H]2c2cccc(Br)c2)C1 ZINC000054510932 822891513 /nfs/dbraw/zinc/89/15/13/822891513.db2.gz AUTKDWFYBCJLIV-MAUKXSAKSA-N 1 0 394.357 4.028 20 0 GIADRO CC(C)(C)OC(=O)Cc1ccccc1NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000175146981 822891683 /nfs/dbraw/zinc/89/16/83/822891683.db2.gz LZJLASSHPPCEBT-UHFFFAOYSA-N 1 0 394.515 4.419 20 0 GIADRO O=C(Nc1ccc2c(c1F)CC[NH2+]C2)N1CCC(c2cccc(F)c2F)CC1 ZINC000569202156 822892334 /nfs/dbraw/zinc/89/23/34/822892334.db2.gz WKVOVPVXAMDVIQ-UHFFFAOYSA-N 1 0 389.421 4.161 20 0 GIADRO COc1ccc2cc(CNC(=O)N(CC[NH+](C)C)Cc3ccsc3)ccc2c1 ZINC000457572081 822893125 /nfs/dbraw/zinc/89/31/25/822893125.db2.gz RFYYSDNAZBYAGD-UHFFFAOYSA-N 1 0 397.544 4.183 20 0 GIADRO COC[C@H](C)OC[C@@H](O)C[NH2+]C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000569212811 822893438 /nfs/dbraw/zinc/89/34/38/822893438.db2.gz RVDTWJFXMMYRSA-LIRRHRJNSA-N 1 0 398.330 4.085 20 0 GIADRO CC(C)CC(=O)Nc1ccc(NC(=O)NC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000175155059 822893758 /nfs/dbraw/zinc/89/37/58/822893758.db2.gz MQGVFHVTDFPCGI-UHFFFAOYSA-N 1 0 386.540 4.200 20 0 GIADRO Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]C[C@@H](c1ccccc1)C(F)(F)F ZINC000186434754 822894990 /nfs/dbraw/zinc/89/49/90/822894990.db2.gz JPZAIAOECGBQRM-AWEZNQCLSA-N 1 0 395.347 4.105 20 0 GIADRO Cc1cc(C(=O)OC(C)(C)C)cc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000457588359 822895018 /nfs/dbraw/zinc/89/50/18/822895018.db2.gz WSFBQNROOVGXOD-HXUWFJFHSA-N 1 0 386.536 4.041 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)N[C@H]1CCSc2ccc(F)cc21 ZINC000457591631 822895655 /nfs/dbraw/zinc/89/56/55/822895655.db2.gz XCUWSDPKOHJNEU-KRWDZBQOSA-N 1 0 393.553 4.198 20 0 GIADRO Cc1nc(-c2ccccc2)oc1C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000175170902 822897191 /nfs/dbraw/zinc/89/71/91/822897191.db2.gz IAZSIEZCFIAHJF-GOSISDBHSA-N 1 0 389.499 4.387 20 0 GIADRO Cc1c(Cl)cncc1C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000457623548 822898168 /nfs/dbraw/zinc/89/81/68/822898168.db2.gz WUBUMPSAIFQPSI-QFIPXVFZSA-N 1 0 383.923 4.172 20 0 GIADRO C[C@@H](Oc1ccccc1NC(=O)N1CCC[N@@H+](C2CCCC2)CC1)C(F)(F)F ZINC000569268571 822898715 /nfs/dbraw/zinc/89/87/15/822898715.db2.gz JJFDDCICROCEFB-OAHLLOKOSA-N 1 0 399.457 4.498 20 0 GIADRO CC[C@H](C(=O)N[C@H](C)c1ncc(-c2ccccc2)o1)[N@H+](C)Cc1ccccc1 ZINC000569280460 822900638 /nfs/dbraw/zinc/90/06/38/822900638.db2.gz NKNJLHAJMKEWCR-YLJYHZDGSA-N 1 0 377.488 4.429 20 0 GIADRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)c3c(C)cccc3C)CC2)c1C ZINC000175190826 822901061 /nfs/dbraw/zinc/90/10/61/822901061.db2.gz SDXPOUDWODAWEH-UHFFFAOYSA-N 1 0 395.547 4.060 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(-c2cncnc2)cc1F)c1ccsc1 ZINC000186473419 822901095 /nfs/dbraw/zinc/90/10/95/822901095.db2.gz POEMLQPUXLIUQH-FQEVSTJZSA-N 1 0 398.507 4.157 20 0 GIADRO CCCC(=O)Nc1cccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)c1 ZINC000569282085 822901108 /nfs/dbraw/zinc/90/11/08/822901108.db2.gz VHZZAGMWHZNNTD-DYESRHJHSA-N 1 0 394.519 4.210 20 0 GIADRO COc1ccc(F)cc1[C@@H](C)NC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000175190771 822901137 /nfs/dbraw/zinc/90/11/37/822901137.db2.gz TUGCVRWZGLHXGG-IEBWSBKVSA-N 1 0 399.510 4.059 20 0 GIADRO C[C@H](NC(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1)c1cncc(F)c1 ZINC000457653933 822901688 /nfs/dbraw/zinc/90/16/88/822901688.db2.gz AENKHTANAIGCCA-KURKYZTESA-N 1 0 398.526 4.259 20 0 GIADRO Cn1nc(CC[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc21 ZINC000186479812 822901735 /nfs/dbraw/zinc/90/17/35/822901735.db2.gz LGRYKLFPRBTTFX-UHFFFAOYSA-N 1 0 382.939 4.023 20 0 GIADRO C[C@H]([NH2+]CCOc1cccc(S(C)(=O)=O)c1)c1ccc(F)c2ccccc21 ZINC000569286909 822901865 /nfs/dbraw/zinc/90/18/65/822901865.db2.gz MQSROURWDGGNGW-HNNXBMFYSA-N 1 0 387.476 4.112 20 0 GIADRO Cc1ccccc1Oc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc1 ZINC000457654129 822901992 /nfs/dbraw/zinc/90/19/92/822901992.db2.gz BQCUDBOPWOWPCF-PGRDOPGGSA-N 1 0 391.515 4.271 20 0 GIADRO C[C@H](Cc1cccc(F)c1)N(C)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000457654080 822902054 /nfs/dbraw/zinc/90/20/54/822902054.db2.gz BOPSFMQNRGWRKR-GOSISDBHSA-N 1 0 383.511 4.194 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)N[C@H](c2ncc(C)s2)C2CC2)c1 ZINC000175199777 822902517 /nfs/dbraw/zinc/90/25/17/822902517.db2.gz HMLUHFKJMNUFDU-IBGZPJMESA-N 1 0 386.565 4.244 20 0 GIADRO C[C@H](NC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1cncc(F)c1 ZINC000457667126 822903758 /nfs/dbraw/zinc/90/37/58/822903758.db2.gz WAWSZQDGRNMQJP-SJORKVTESA-N 1 0 384.499 4.013 20 0 GIADRO Cc1ccc(Oc2ccc(C(=O)N3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)nc2)cc1 ZINC000457669070 822903994 /nfs/dbraw/zinc/90/39/94/822903994.db2.gz KMYLCIJHBAAJCR-MBSDFSHPSA-N 1 0 391.515 4.271 20 0 GIADRO O=C(Nc1ccccc1)NC1CC[NH+](Cc2ccc3c(c2)OCCCCO3)CC1 ZINC000569306740 822904837 /nfs/dbraw/zinc/90/48/37/822904837.db2.gz ITZGPPCUVUPHHV-UHFFFAOYSA-N 1 0 395.503 4.024 20 0 GIADRO O=C(c1ccc(Oc2cccc(F)c2)cn1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000457688407 822906826 /nfs/dbraw/zinc/90/68/26/822906826.db2.gz VHKWOWXEOLWXRP-OPAMFIHVSA-N 1 0 395.478 4.102 20 0 GIADRO COc1ccc([C@H](C)NC(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cc1F ZINC000054718046 822907347 /nfs/dbraw/zinc/90/73/47/822907347.db2.gz YLSLRXITLDOBIB-FCEWJHQRSA-N 1 0 385.483 4.030 20 0 GIADRO C[C@@H](CCNC(=O)NCc1coc(-c2cccs2)n1)[N@H+](C)Cc1ccccc1 ZINC000175219101 822907423 /nfs/dbraw/zinc/90/74/23/822907423.db2.gz FMRSTOFQKVWSFV-INIZCTEOSA-N 1 0 398.532 4.113 20 0 GIADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N2CCC(C(=O)c3ccccc3)CC2)C1 ZINC000054726124 822907647 /nfs/dbraw/zinc/90/76/47/822907647.db2.gz WRCLROUYQFBBNG-RTBURBONSA-N 1 0 399.579 4.047 20 0 GIADRO O=C(NCC1(CCOCc2ccccc2)CC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000186521481 822907882 /nfs/dbraw/zinc/90/78/82/822907882.db2.gz GVMVTGLCFRKTOS-OAQYLSRUSA-N 1 0 384.564 4.144 20 0 GIADRO COc1ccc2c(c1F)CC[C@@H]2[NH2+]C[C@H](CO)Cc1ccccc1C(F)(F)F ZINC000569326978 822908114 /nfs/dbraw/zinc/90/81/14/822908114.db2.gz FGYIJECJWCUMNY-ACJLOTCBSA-N 1 0 397.412 4.281 20 0 GIADRO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)N1C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000457701044 822908581 /nfs/dbraw/zinc/90/85/81/822908581.db2.gz HTHNKYUMSPPFPD-NEBZKDRISA-N 1 0 377.476 4.112 20 0 GIADRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)c2ccccc21 ZINC000569330607 822908674 /nfs/dbraw/zinc/90/86/74/822908674.db2.gz RKUNPCWLIFLCJU-DHIUTWEWSA-N 1 0 389.499 4.203 20 0 GIADRO COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)NCCC[NH2+]C(C)C)cc1 ZINC000569334895 822908941 /nfs/dbraw/zinc/90/89/41/822908941.db2.gz RZJVWLXLZRBCEN-GOSISDBHSA-N 1 0 383.536 4.453 20 0 GIADRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(-c2nc3cc(F)ccc3n2C)cc1C ZINC000569338126 822909253 /nfs/dbraw/zinc/90/92/53/822909253.db2.gz AUYARECWPHAMMY-SJORKVTESA-N 1 0 380.467 4.014 20 0 GIADRO CCOc1cc(F)ccc1NC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000175228971 822909558 /nfs/dbraw/zinc/90/95/58/822909558.db2.gz AEHVBMBKHQMAFF-SFHVURJKSA-N 1 0 385.483 4.210 20 0 GIADRO O=C(N[C@H]1CCCC[C@H]1C(F)(F)F)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000569343640 822909729 /nfs/dbraw/zinc/90/97/29/822909729.db2.gz JVQOMHKUYAPHLW-SJORKVTESA-N 1 0 386.483 4.086 20 0 GIADRO COc1ccc2c(c1)nc(C[NH2+][C@H](C)[C@H](C)c1nc3ccccc3s1)n2C ZINC000186538539 822910512 /nfs/dbraw/zinc/91/05/12/822910512.db2.gz CMZDREUVAFTELB-UONOGXRCSA-N 1 0 380.517 4.473 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2cnccc2C(F)(F)F)CC1 ZINC000569353276 822910527 /nfs/dbraw/zinc/91/05/27/822910527.db2.gz OEWJGRIRFMJXEA-OAHLLOKOSA-N 1 0 383.458 4.217 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)N1CC(c2cccc(C(F)(F)F)c2)C1)c1ccsc1 ZINC000457720783 822910675 /nfs/dbraw/zinc/91/06/75/822910675.db2.gz XCDLDVJDDPHWTM-KRWDZBQOSA-N 1 0 397.466 4.179 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)Nc2cccc(COCc3ccco3)c2)CC1 ZINC000175240515 822911678 /nfs/dbraw/zinc/91/16/78/822911678.db2.gz QHYFPKIUABSAJY-UHFFFAOYSA-N 1 0 385.508 4.240 20 0 GIADRO Cc1cc(Br)c(C(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)s1 ZINC000457733927 822912338 /nfs/dbraw/zinc/91/23/38/822912338.db2.gz JXKXQWAZQCWNEF-WFASDCNBSA-N 1 0 381.339 4.240 20 0 GIADRO Cc1ccccc1COc1ccc([C@@H](C)[NH2+][C@@H](C)C2(S(C)(=O)=O)CC2)cc1 ZINC000569372439 822912445 /nfs/dbraw/zinc/91/24/45/822912445.db2.gz RQBJJHRBJRUDNA-MSOLQXFVSA-N 1 0 387.545 4.190 20 0 GIADRO C[NH+](C)CCc1ccc(C(=O)NCc2cccc(COCc3ccco3)c2)cc1 ZINC000569376448 822912892 /nfs/dbraw/zinc/91/28/92/822912892.db2.gz ZBXTYVHFZCRCHQ-UHFFFAOYSA-N 1 0 392.499 4.031 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3csc(-c4ncccn4)n3)cc2)C1 ZINC000054794201 822913587 /nfs/dbraw/zinc/91/35/87/822913587.db2.gz WVVFBYABVIDBKK-OAHLLOKOSA-N 1 0 393.516 4.084 20 0 GIADRO Cn1c2ccccc2nc1C(C)(C)[NH2+]C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000186563301 822913738 /nfs/dbraw/zinc/91/37/38/822913738.db2.gz ZGZBPLRDSWINPX-OAHLLOKOSA-N 1 0 391.437 4.020 20 0 GIADRO O=C(c1cccc(C[NH+]2CCC(c3ccc(O)cc3)CC2)c1)N1CCCCC1 ZINC000054808521 822914725 /nfs/dbraw/zinc/91/47/25/822914725.db2.gz USINFNVCBTYXNA-UHFFFAOYSA-N 1 0 378.516 4.398 20 0 GIADRO COc1ccc([C@H](NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)c2ccco2)cc1 ZINC000457752313 822914795 /nfs/dbraw/zinc/91/47/95/822914795.db2.gz XCPZTNMDMSDOGV-GCJKJVERSA-N 1 0 399.535 4.331 20 0 GIADRO CN(C)[C@H](C[NH2+]C1CCN(c2nccs2)CC1)c1cccc(C(F)(F)F)c1 ZINC000186570271 822915211 /nfs/dbraw/zinc/91/52/11/822915211.db2.gz XLRYDOSWCGAAPG-QGZVFWFLSA-N 1 0 398.498 4.023 20 0 GIADRO C[C@@H](C(=O)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1)c1cc2ccccc2o1 ZINC000186583166 822917241 /nfs/dbraw/zinc/91/72/41/822917241.db2.gz MTWMHWJKXXUHLJ-XLIONFOSSA-N 1 0 377.488 4.102 20 0 GIADRO CCCCc1nnc(N2CCC[C@@H]([NH+]3CCCC3)CC2)n1Cc1ccccc1 ZINC000569401070 822917296 /nfs/dbraw/zinc/91/72/96/822917296.db2.gz NBYAPPGHLHNHBO-OAQYLSRUSA-N 1 0 381.568 4.124 20 0 GIADRO COc1cc(-c2noc([C@@H]3CC[C@H](C(F)(F)F)C3)n2)ccc1OCC[NH+](C)C ZINC000569408350 822918138 /nfs/dbraw/zinc/91/81/38/822918138.db2.gz IUIUDUQAETYUQL-KGLIPLIRSA-N 1 0 399.413 4.132 20 0 GIADRO OC1(Cc2cccc(F)c2)CC[NH+](Cc2c[nH]nc2-c2cccc(Cl)c2)CC1 ZINC000186588152 822918430 /nfs/dbraw/zinc/91/84/30/822918430.db2.gz KPOQLXXVUOWHIL-UHFFFAOYSA-N 1 0 399.897 4.439 20 0 GIADRO O=C(c1cc(Cl)cc(Cl)c1)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000186591067 822919210 /nfs/dbraw/zinc/91/92/10/822919210.db2.gz HHFLPVNWYJTZSZ-GOSISDBHSA-N 1 0 378.303 4.173 20 0 GIADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCc2ccc(-c3ccccc3)cc2C1 ZINC000457785809 822919285 /nfs/dbraw/zinc/91/92/85/822919285.db2.gz LQQCVQFOHBHDLP-XZOQPEGZSA-N 1 0 375.516 4.048 20 0 GIADRO O=C(N[C@@H]1CCC[C@H](c2cccc(Cl)c2)C1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000457785952 822919370 /nfs/dbraw/zinc/91/93/70/822919370.db2.gz MBFFKXFBJKGSRG-RNQOJCNYSA-N 1 0 375.944 4.292 20 0 GIADRO COc1cc(Cc2noc([C@@H]3C[N@@H+](C(C)(C)C)C[C@H]3C(F)(F)F)n2)ccc1C ZINC000569417182 822919798 /nfs/dbraw/zinc/91/97/98/822919798.db2.gz YEIZSGVVJZPKSZ-HUUCEWRRSA-N 1 0 397.441 4.354 20 0 GIADRO O=C(c1cc(Cl)sc1Cl)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000186593059 822919829 /nfs/dbraw/zinc/91/98/29/822919829.db2.gz RWLPASMLLMELHG-CYBMUJFWSA-N 1 0 384.332 4.234 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1c(F)cc(F)cc1F ZINC000175268695 822920041 /nfs/dbraw/zinc/92/00/41/822920041.db2.gz RMNGEUHXHMRALW-MRXNPFEDSA-N 1 0 376.422 4.088 20 0 GIADRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cc(F)c(Br)cc1Cl ZINC000569417901 822920076 /nfs/dbraw/zinc/92/00/76/822920076.db2.gz GNVRIQIJUFDADG-JTQLQIEISA-N 1 0 379.701 4.092 20 0 GIADRO CC[C@@H](CC(F)F)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000457802468 822920735 /nfs/dbraw/zinc/92/07/35/822920735.db2.gz XHMMZCOCNIVIJY-SESVDKBCSA-N 1 0 386.486 4.452 20 0 GIADRO CCOc1cc(C)ccc1NC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000175273582 822921385 /nfs/dbraw/zinc/92/13/85/822921385.db2.gz UJARWJPSHBJZIU-HXUWFJFHSA-N 1 0 381.520 4.380 20 0 GIADRO Cc1cccc(-c2nnc(N3CCC[C@@H](C[N@@H+]4CCCC[C@H]4C)C3)n2C(C)C)n1 ZINC000569428066 822921606 /nfs/dbraw/zinc/92/16/06/822921606.db2.gz BWSSRBYYPBEJDA-UXHICEINSA-N 1 0 396.583 4.320 20 0 GIADRO COc1cccc([C@H](CNC(=O)N(C)[C@H](C)c2ccccc2)[NH+]2CCCC2)c1 ZINC000054921190 822922353 /nfs/dbraw/zinc/92/23/53/822922353.db2.gz NEALRWSZPOQGDG-GCJKJVERSA-N 1 0 381.520 4.235 20 0 GIADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccc(Oc4cccc(Cl)c4)cn3)C2)C1 ZINC000457820939 822922742 /nfs/dbraw/zinc/92/27/42/822922742.db2.gz LYCOPJJMMAEKFR-OAQYLSRUSA-N 1 0 385.895 4.085 20 0 GIADRO C[C@]1(C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)C[C@@H]1c1ccccc1 ZINC000569435984 822922696 /nfs/dbraw/zinc/92/26/96/822922696.db2.gz GRYOBKNDMWNKOU-VWNXMTODSA-N 1 0 378.516 4.023 20 0 GIADRO Brc1ccc(CC[NH2+]Cc2cncc(Br)c2)s1 ZINC000186606331 822922739 /nfs/dbraw/zinc/92/27/39/822922739.db2.gz UFZQRGIKVCQPBY-UHFFFAOYSA-N 1 0 376.117 4.000 20 0 GIADRO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]Cc1ccc(C(C)(C)O)cc1 ZINC000186615800 822923958 /nfs/dbraw/zinc/92/39/58/822923958.db2.gz LQMHSWHQAUNCBL-CQSZACIVSA-N 1 0 394.437 4.440 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1(c2cccc(F)c2)CC1 ZINC000175283153 822923969 /nfs/dbraw/zinc/92/39/69/822923969.db2.gz XTURNPWOHIAKNM-HXUWFJFHSA-N 1 0 380.507 4.228 20 0 GIADRO [NH3+][C@@H](CCC(=O)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1)c1ccccc1 ZINC000569449197 822924962 /nfs/dbraw/zinc/92/49/62/822924962.db2.gz WFPUBWKEUBLZHH-MSOLQXFVSA-N 1 0 383.561 4.208 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(C(C)(C)O)cc1)c1ccc(I)cc1 ZINC000186622857 822925118 /nfs/dbraw/zinc/92/51/18/822925118.db2.gz SCBHLXSWBYLFQK-CYBMUJFWSA-N 1 0 395.284 4.369 20 0 GIADRO Cc1ccc(CN(CC[NH+](C)C)C(=S)Nc2cccc(C(F)(F)F)c2)o1 ZINC000054974529 822927029 /nfs/dbraw/zinc/92/70/29/822927029.db2.gz YRJVUGAFXVINAX-UHFFFAOYSA-N 1 0 385.455 4.367 20 0 GIADRO COc1ccc(C[N@@H+]2CC[C@@H](c3cc(C)ccn3)C2)c(Br)c1OC ZINC000569470733 822927197 /nfs/dbraw/zinc/92/71/97/822927197.db2.gz NWFZTCPWWFEVPH-CQSZACIVSA-N 1 0 391.309 4.159 20 0 GIADRO CC1(C)CC[N@H+](CC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)C1 ZINC000569473680 822927335 /nfs/dbraw/zinc/92/73/35/822927335.db2.gz UAHOVAZVSDWIFA-LJQANCHMSA-N 1 0 398.469 4.021 20 0 GIADRO CC(C)(C)[S@](=O)Cc1cccc(NC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)c1 ZINC000569474018 822927400 /nfs/dbraw/zinc/92/74/00/822927400.db2.gz HXUWJCNZLNKGER-UZTOHYMASA-N 1 0 386.561 4.399 20 0 GIADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc(C)c(Cl)c1 ZINC000175297382 822927886 /nfs/dbraw/zinc/92/78/86/822927886.db2.gz RPRXURFEVVIXBP-UHFFFAOYSA-N 1 0 387.911 4.051 20 0 GIADRO COc1ccc(NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)cc1Cl ZINC000175299300 822928610 /nfs/dbraw/zinc/92/86/10/822928610.db2.gz HVKINYRRQQIBQU-UHFFFAOYSA-N 1 0 387.911 4.477 20 0 GIADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=S)Nc1ccc(SC(F)F)cc1 ZINC000054990843 822929092 /nfs/dbraw/zinc/92/90/92/822929092.db2.gz PVZUNRGAVDBYLF-INIZCTEOSA-N 1 0 395.544 4.461 20 0 GIADRO Cc1ccc([C@H](C)NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)c(C)c1 ZINC000457898072 822930540 /nfs/dbraw/zinc/93/05/40/822930540.db2.gz AKVVNJYASRNTSX-INIZCTEOSA-N 1 0 385.474 4.423 20 0 GIADRO Cc1nc([C@H]2CCCN2C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)cs1 ZINC000186656543 822930678 /nfs/dbraw/zinc/93/06/78/822930678.db2.gz IAPOAIVXMXMAHM-RTWAWAEBSA-N 1 0 398.576 4.444 20 0 GIADRO Cc1ccccc1CN(Cc1ccccn1)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000569501738 822930659 /nfs/dbraw/zinc/93/06/59/822930659.db2.gz OVKZFNNHGMSNHR-UHFFFAOYSA-N 1 0 387.527 4.337 20 0 GIADRO CCOc1cc2c(cc1NC(=O)c1ccc(C[N@H+](CC)C(C)C)cc1)OCCO2 ZINC000186662377 822932095 /nfs/dbraw/zinc/93/20/95/822932095.db2.gz IUUGATMBXVSKFN-UHFFFAOYSA-N 1 0 398.503 4.339 20 0 GIADRO COc1ccc(C(=O)C(C(=S)NCc2cccs2)[n+]2cccc(C)c2)cc1 ZINC000055027273 822932291 /nfs/dbraw/zinc/93/22/91/822932291.db2.gz ASAVWZUHKZNLCM-UHFFFAOYSA-O 1 0 397.545 4.081 20 0 GIADRO Cc1ccc(CNC(=O)C2CC[NH+](Cc3cc(F)cc4cccnc43)CC2)cc1 ZINC000175314911 822932506 /nfs/dbraw/zinc/93/25/06/822932506.db2.gz VFUKUGHDKPEDGQ-UHFFFAOYSA-N 1 0 391.490 4.211 20 0 GIADRO CC(C)(C)CC[NH+]1CCN(Cn2nc(C3CC3)n(-c3ccccc3)c2=S)CC1 ZINC000055035548 822932744 /nfs/dbraw/zinc/93/27/44/822932744.db2.gz HAHKKXQTRKANQI-UHFFFAOYSA-N 1 0 399.608 4.292 20 0 GIADRO Cc1cnc(C(C)(C)NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)s1 ZINC000175331567 822937403 /nfs/dbraw/zinc/93/74/03/822937403.db2.gz ZCUVRNABMQCHPH-UHFFFAOYSA-N 1 0 386.565 4.172 20 0 GIADRO Cc1noc(C)c1C(C)(C)C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000569549627 822938557 /nfs/dbraw/zinc/93/85/57/822938557.db2.gz RQIUYEOHVYQSOQ-UHFFFAOYSA-N 1 0 383.536 4.482 20 0 GIADRO Cn1cccc1[C@@H]1CCCCN1C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000175337329 822939118 /nfs/dbraw/zinc/93/91/18/822939118.db2.gz DPICZWJGAWCDLV-QFIPXVFZSA-N 1 0 398.526 4.065 20 0 GIADRO CC(C)[NH+]1CCC(N(C)C(=O)[C@@H](C)Sc2ccc(Br)cc2)CC1 ZINC000055117213 822939574 /nfs/dbraw/zinc/93/95/74/822939574.db2.gz OYWRSGPQRYBLOO-CQSZACIVSA-N 1 0 399.398 4.261 20 0 GIADRO Cc1c(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cccc1-c1ncco1 ZINC000569561833 822940209 /nfs/dbraw/zinc/94/02/09/822940209.db2.gz KIUUCCNIOQFSAT-WOJBJXKFSA-N 1 0 376.460 4.217 20 0 GIADRO CCOc1cc(F)ccc1NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000175342227 822940274 /nfs/dbraw/zinc/94/02/74/822940274.db2.gz IYBTTYZXWRITOX-UHFFFAOYSA-N 1 0 385.483 4.353 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2OC(C)C)c1 ZINC000055151894 822941197 /nfs/dbraw/zinc/94/11/97/822941197.db2.gz ZBPUUYYIXRHOOW-HZPDHXFCSA-N 1 0 383.492 4.110 20 0 GIADRO O=C(Nc1nc(-c2cccc(C(F)(F)F)c2)cs1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000569572714 822941288 /nfs/dbraw/zinc/94/12/88/822941288.db2.gz LFZMXLMTJZKXFR-QGZVFWFLSA-N 1 0 396.438 4.046 20 0 GIADRO COCCCN(C(=O)c1cc2cccc(Cl)c2s1)C1CC[NH+](C)CC1 ZINC000569578711 822941811 /nfs/dbraw/zinc/94/18/11/822941811.db2.gz NXZSKTKEYALWMP-UHFFFAOYSA-N 1 0 380.941 4.128 20 0 GIADRO COc1ccc([C@H](Nc2cccc(N3CCCCC3=O)c2)[C@@H]2CCC[NH2+]2)cc1 ZINC000569591847 822942931 /nfs/dbraw/zinc/94/29/31/822942931.db2.gz BBJCFPANVFXULY-GMAHTHKFSA-N 1 0 379.504 4.117 20 0 GIADRO COC(=O)c1cc(C[NH2+][C@@H](Cc2ccccc2)c2ccc(OC)cc2)c(C)o1 ZINC000569630729 822947493 /nfs/dbraw/zinc/94/74/93/822947493.db2.gz RORXPDANLVOVLL-NRFANRHFSA-N 1 0 379.456 4.457 20 0 GIADRO CC(C)[C@H](CNC(=O)NCc1ccccc1C[N@H+](C)C(C)C)c1cccnc1 ZINC000175365390 822947643 /nfs/dbraw/zinc/94/76/43/822947643.db2.gz RTXWMPVSCCIAKW-QFIPXVFZSA-N 1 0 382.552 4.161 20 0 GIADRO C[C@H](CCCc1cccnc1)NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000457988726 822948126 /nfs/dbraw/zinc/94/81/26/822948126.db2.gz XFGGERZVLZMISP-HXUWFJFHSA-N 1 0 394.563 4.004 20 0 GIADRO CCCCCN(C)c1ccc(F)cc1C[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000569637713 822948597 /nfs/dbraw/zinc/94/85/97/822948597.db2.gz HZYTWQSTEMCEFR-HXUWFJFHSA-N 1 0 378.532 4.270 20 0 GIADRO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@@H](C)c1nccs1 ZINC000186743020 822948599 /nfs/dbraw/zinc/94/85/99/822948599.db2.gz MMZIXGCTZVIZQE-VXGBXAGGSA-N 1 0 387.427 4.152 20 0 GIADRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000175369006 822948730 /nfs/dbraw/zinc/94/87/30/822948730.db2.gz DTHRSESMLMOFAX-AZGAKELHSA-N 1 0 388.555 4.104 20 0 GIADRO C[C@@H]([NH2+]CCc1ccc(OCC(F)(F)F)nc1)c1ccc2ccccc2n1 ZINC000186751511 822949494 /nfs/dbraw/zinc/94/94/94/822949494.db2.gz HFOPFRRKZBFNFC-CQSZACIVSA-N 1 0 375.394 4.464 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]Cc2ccc(Cl)c(C)c2)c1 ZINC000186758569 822950470 /nfs/dbraw/zinc/95/04/70/822950470.db2.gz OUNNECQUZJJBPC-AWEZNQCLSA-N 1 0 376.884 4.173 20 0 GIADRO COc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2ccc(Cl)c(C)c2)c(OC)c1 ZINC000186757899 822950496 /nfs/dbraw/zinc/95/04/96/822950496.db2.gz SHXLFEPELABPOF-CQSZACIVSA-N 1 0 376.884 4.173 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)c2ccc(-c3cncnc3)cc2F)CC1 ZINC000186767539 822951975 /nfs/dbraw/zinc/95/19/75/822951975.db2.gz HUSBDDGBKZVDIG-UHFFFAOYSA-N 1 0 398.526 4.257 20 0 GIADRO COC(=O)c1coc([C@H](C)[NH2+]Cc2cccc(Cn3cnc4ccccc43)c2)c1 ZINC000569671928 822953415 /nfs/dbraw/zinc/95/34/15/822953415.db2.gz UGSZUCHTTGZRFV-INIZCTEOSA-N 1 0 389.455 4.315 20 0 GIADRO COc1cc(C)c(NC(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1F ZINC000186775846 822953515 /nfs/dbraw/zinc/95/35/15/822953515.db2.gz LKWAGXQJGAUQMR-UHFFFAOYSA-N 1 0 391.512 4.238 20 0 GIADRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)c2ccc(OC)cc2)cc1 ZINC000569675173 822953864 /nfs/dbraw/zinc/95/38/64/822953864.db2.gz UCGVRKRMEXIFQZ-IKGGRYGDSA-N 1 0 375.534 4.332 20 0 GIADRO [NH3+][C@@H](CNC(=O)N1CCCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1)c1ccccc1 ZINC000569677408 822954039 /nfs/dbraw/zinc/95/40/39/822954039.db2.gz JCKXVUKEPKCGPH-QFBILLFUSA-N 1 0 397.910 4.153 20 0 GIADRO CC(C)c1c(NC(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)cnn1-c1ccccc1 ZINC000569679687 822954402 /nfs/dbraw/zinc/95/44/02/822954402.db2.gz KOBSFVZZEHLFEY-GOSISDBHSA-N 1 0 395.551 4.334 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCO2)C(=O)Nc1cccc(Cl)c1Cl ZINC000055374772 822955618 /nfs/dbraw/zinc/95/56/18/822955618.db2.gz GAVGFSRMGQWHNG-WDEREUQCSA-N 1 0 381.259 4.400 20 0 GIADRO CCN(Cc1ccccc1)C(=O)c1cc(NC(=O)[C@@H](C)[NH2+]C2CC2)ccc1Cl ZINC000569694273 822956096 /nfs/dbraw/zinc/95/60/96/822956096.db2.gz QCXNZOJRKNZKTL-OAHLLOKOSA-N 1 0 399.922 4.081 20 0 GIADRO CCN(Cc1ccccc1)C(=O)c1cc(NC(=O)[C@H](C)[NH2+]C2CC2)ccc1Cl ZINC000569694270 822956108 /nfs/dbraw/zinc/95/61/08/822956108.db2.gz QCXNZOJRKNZKTL-HNNXBMFYSA-N 1 0 399.922 4.081 20 0 GIADRO COc1cc(C)c(NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1F ZINC000186793574 822956441 /nfs/dbraw/zinc/95/64/41/822956441.db2.gz YMOHVGCWPXMVII-UHFFFAOYSA-N 1 0 385.483 4.176 20 0 GIADRO 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 822956903 /nfs/dbraw/zinc/95/69/03/822956903.db2.gz HVONICAWIYFKLQ-OAGGEKHMSA-N 1 0 398.469 4.314 20 0 GIADRO CC[C@H](C(=O)Nc1ccc(NC[C@@H]2CCCO2)c(F)c1)[N@H+](C)Cc1ccccc1 ZINC000569703306 822956942 /nfs/dbraw/zinc/95/69/42/822956942.db2.gz SEBVKZGFAXWSHL-SIKLNZKXSA-N 1 0 399.510 4.266 20 0 GIADRO CC(C)c1c(NC(=O)NCC[C@H]2CCC[NH2+]C2)cnn1-c1ccc(Cl)cc1 ZINC000569703700 822956998 /nfs/dbraw/zinc/95/69/98/822956998.db2.gz XDGFFKDZUJXILQ-OAHLLOKOSA-N 1 0 389.931 4.160 20 0 GIADRO O=C(Nc1ccccc1)c1ccc(C[N@@H+]2CCSC3(CCOCC3)C2)cc1 ZINC000186799788 822957395 /nfs/dbraw/zinc/95/73/95/822957395.db2.gz RGEQPHJGPHSBEP-UHFFFAOYSA-N 1 0 382.529 4.037 20 0 GIADRO O=C1CCCN1[C@@H]1CCC[C@H]([NH2+][C@H](c2cc3ccccc3o2)c2cccnc2)C1 ZINC000569709641 822957872 /nfs/dbraw/zinc/95/78/72/822957872.db2.gz GCHVJDPUKULZOK-ROKPMTFOSA-N 1 0 389.499 4.440 20 0 GIADRO CC[NH+]1CCC(CNC(=O)c2cc(-c3ccco3)nc3onc(C(C)C)c32)CC1 ZINC000569713287 822958013 /nfs/dbraw/zinc/95/80/13/822958013.db2.gz IBEUHMMPHVFNMJ-UHFFFAOYSA-N 1 0 396.491 4.068 20 0 GIADRO CC1CC[NH+]([C@H](CNC(=O)Cc2cccc3cccnc32)c2cccs2)CC1 ZINC000055416278 822959216 /nfs/dbraw/zinc/95/92/16/822959216.db2.gz LXRJEWIWVYWIKB-HXUWFJFHSA-N 1 0 393.556 4.428 20 0 GIADRO C[C@H]1C[C@@H](NC(=O)NCc2ccc(Cl)s2)CC[N@@H+]1Cc1ccccc1 ZINC000175400198 822959437 /nfs/dbraw/zinc/95/94/37/822959437.db2.gz YHILXZUDWDRJJB-HOCLYGCPSA-N 1 0 377.941 4.254 20 0 GIADRO C[C@@H](c1nc2ccccc2s1)N(C)C(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000569738804 822961530 /nfs/dbraw/zinc/96/15/30/822961530.db2.gz GMKAWURBISOZEZ-WMZOPIPTSA-N 1 0 379.529 4.338 20 0 GIADRO CC(C)C[C@H]1OCCC[C@H]1[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000186823857 822961683 /nfs/dbraw/zinc/96/16/83/822961683.db2.gz IPRPRMUYCGOWSE-WOJBJXKFSA-N 1 0 378.944 4.128 20 0 GIADRO CCOc1c(OC)cc(CN2C[C@@H]3CCC[N@@H+]3Cc3ccccc32)cc1OC ZINC000569750521 822963258 /nfs/dbraw/zinc/96/32/58/822963258.db2.gz DHOMQUHLYDRZRG-IBGZPJMESA-N 1 0 382.504 4.087 20 0 GIADRO CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000186832365 822963567 /nfs/dbraw/zinc/96/35/67/822963567.db2.gz WNEWVPSQJAVEMU-QFIPXVFZSA-N 1 0 397.563 4.112 20 0 GIADRO COc1cc(C)c(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1F ZINC000186834832 822964211 /nfs/dbraw/zinc/96/42/11/822964211.db2.gz WBNHZXAFBNHNLR-AEFFLSMTSA-N 1 0 385.483 4.317 20 0 GIADRO Cc1ccccc1C(C)(C)CNC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458165721 822964369 /nfs/dbraw/zinc/96/43/69/822964369.db2.gz CBXQFRYYKNORBZ-UHFFFAOYSA-N 1 0 399.501 4.331 20 0 GIADRO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CCC(=O)Nc1ccc(Cl)cc1F ZINC000175421068 822964607 /nfs/dbraw/zinc/96/46/07/822964607.db2.gz FHWATEATDPGAGP-WHDAMIPWSA-N 1 0 396.915 4.238 20 0 GIADRO CSC1(CNC(=O)N[C@H](CC(C)(C)C)c2ccccc2)CC[NH+](C)CC1 ZINC000569776666 822967393 /nfs/dbraw/zinc/96/73/93/822967393.db2.gz VEPGQCNQKFKWQA-GOSISDBHSA-N 1 0 377.598 4.291 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)c1csc(-c2ccccc2F)n1 ZINC000458197684 822967629 /nfs/dbraw/zinc/96/76/29/822967629.db2.gz FUKKUGUTRMKALF-UHFFFAOYSA-N 1 0 389.521 4.215 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)Cc1csc(-c2ccccc2)n1 ZINC000458206404 822968818 /nfs/dbraw/zinc/96/88/18/822968818.db2.gz URBVQKJBTHVKSH-UHFFFAOYSA-N 1 0 385.558 4.005 20 0 GIADRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)C[C@@H]1CCC[C@@H]1C ZINC000186860052 822969745 /nfs/dbraw/zinc/96/97/45/822969745.db2.gz HRHSIRPTVDDGEE-DZFGPLHGSA-N 1 0 380.536 4.403 20 0 GIADRO C[C@H](Oc1ccccc1NC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1)C(F)(F)F ZINC000569792075 822969824 /nfs/dbraw/zinc/96/98/24/822969824.db2.gz WEQASQXUGZWXLE-ZMSDIMECSA-N 1 0 399.457 4.402 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)c1coc(-c2ccccc2Cl)n1 ZINC000458216420 822969858 /nfs/dbraw/zinc/96/98/58/822969858.db2.gz GFMNTCWQGRHZNX-UHFFFAOYSA-N 1 0 389.908 4.261 20 0 GIADRO CS(=O)(=O)C1CCC([NH2+][C@H](Cc2ccc(F)cc2)c2ccccc2)CC1 ZINC000569801129 822970980 /nfs/dbraw/zinc/97/09/80/822970980.db2.gz YWPOAEGAQOQTSI-XVAXZDLZSA-N 1 0 375.509 4.055 20 0 GIADRO CCc1noc(C2CCC([NH2+]C[C@@H](C3CC3)N(C)Cc3ccccc3)CC2)n1 ZINC000186875513 822972618 /nfs/dbraw/zinc/97/26/18/822972618.db2.gz DMFJAXCFFPPSBN-CBNMVNINSA-N 1 0 382.552 4.158 20 0 GIADRO Cc1c(F)cccc1NC(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000175453698 822972980 /nfs/dbraw/zinc/97/29/80/822972980.db2.gz BCOXXUWOCACKIC-UHFFFAOYSA-N 1 0 399.510 4.327 20 0 GIADRO CC1CC[NH+](Cc2ccc(CNC(=O)CCc3ncc(C(C)(C)C)o3)cc2)CC1 ZINC000186881940 822973963 /nfs/dbraw/zinc/97/39/63/822973963.db2.gz YJSSRFXSFOEVEX-UHFFFAOYSA-N 1 0 397.563 4.453 20 0 GIADRO CCN(Cc1ccccc1Br)C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000569837552 822974552 /nfs/dbraw/zinc/97/45/52/822974552.db2.gz ALFGOEACFAJGBP-CVEARBPZSA-N 1 0 396.373 4.101 20 0 GIADRO CCCC[C@@H]1CCC[C@H]1NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458260634 822974875 /nfs/dbraw/zinc/97/48/75/822974875.db2.gz WKEUFWFPAQABIP-NVXWUHKLSA-N 1 0 377.495 4.404 20 0 GIADRO Cc1cc(NC(=O)Cc2cccc(OCC(F)(F)F)c2)ccc1C[NH+](C)C ZINC000458264036 822975229 /nfs/dbraw/zinc/97/52/29/822975229.db2.gz BPKGUUFUCSFLQV-UHFFFAOYSA-N 1 0 380.410 4.179 20 0 GIADRO Cc1cc(NC(=O)COc2ccccc2OCC(F)(F)F)ccc1C[NH+](C)C ZINC000458266154 822975458 /nfs/dbraw/zinc/97/54/58/822975458.db2.gz DSUFVIIBAWRRTM-UHFFFAOYSA-N 1 0 396.409 4.015 20 0 GIADRO CN1C(=O)CCc2cc(C[NH+]3CCC(Oc4ccccc4Cl)CC3)ccc21 ZINC000186896626 822976531 /nfs/dbraw/zinc/97/65/31/822976531.db2.gz CTZUMTJIRUWYCG-UHFFFAOYSA-N 1 0 384.907 4.292 20 0 GIADRO CC(C)[C@H]1CCCC[C@H]1NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458273377 822976634 /nfs/dbraw/zinc/97/66/34/822976634.db2.gz WTWJBZSFBYCZTL-IAGOWNOFSA-N 1 0 377.495 4.259 20 0 GIADRO Clc1cccc(C[N@H+](CCn2ccnc2)Cc2cccc(-n3cccn3)c2)c1 ZINC000569857942 822976854 /nfs/dbraw/zinc/97/68/54/822976854.db2.gz WUNQFWVFMPFRGX-UHFFFAOYSA-N 1 0 391.906 4.425 20 0 GIADRO Cc1ccc(C(=O)CCCC(=O)Nc2ccc(OCC[NH+](C)C)c(F)c2)cc1 ZINC000458275686 822976819 /nfs/dbraw/zinc/97/68/19/822976819.db2.gz CQEVJFDMSZFZNQ-UHFFFAOYSA-N 1 0 386.467 4.066 20 0 GIADRO Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000458277441 822977183 /nfs/dbraw/zinc/97/71/83/822977183.db2.gz ILDSFQHGASDVQU-UHFFFAOYSA-N 1 0 394.494 4.179 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1cccc(OC(F)F)c1 ZINC000055552980 822977600 /nfs/dbraw/zinc/97/76/00/822977600.db2.gz OCIVUYSFSOACIN-UHFFFAOYSA-N 1 0 378.419 4.261 20 0 GIADRO Cc1ccc(C(=O)Nc2ccc(OCC[NH+](C)C)c(F)c2)c(Br)c1 ZINC000458283624 822977929 /nfs/dbraw/zinc/97/79/29/822977929.db2.gz ITYLROPNQVLMAR-UHFFFAOYSA-N 1 0 395.272 4.089 20 0 GIADRO C[C@@H](NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ncc(Br)cc1F ZINC000186907268 822978072 /nfs/dbraw/zinc/97/80/72/822978072.db2.gz BGGBCXPPBRRPTH-RDTXWAMCSA-N 1 0 392.316 4.471 20 0 GIADRO Cc1noc(CSc2ccccc2C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)n1 ZINC000458285789 822978356 /nfs/dbraw/zinc/97/83/56/822978356.db2.gz NVRCQMBFCGGUAU-UHFFFAOYSA-N 1 0 396.516 4.293 20 0 GIADRO CCOC(=O)C1CCC([N@H+](CC)Cc2cccc(OC)c2OC(C)C)CC1 ZINC000569871111 822978789 /nfs/dbraw/zinc/97/87/89/822978789.db2.gz QMEJKPINURSCQT-UHFFFAOYSA-N 1 0 377.525 4.426 20 0 GIADRO CC[N@H+](CCc1ccc2c(c1)CCO2)CC(=O)Nc1ccccc1C(F)(F)F ZINC000175479792 822978936 /nfs/dbraw/zinc/97/89/36/822978936.db2.gz FVUUOXNJHLMLJV-UHFFFAOYSA-N 1 0 392.421 4.143 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)N1CCC(c2cccc(F)c2F)CC1)c1ccccc1 ZINC000569874513 822979126 /nfs/dbraw/zinc/97/91/26/822979126.db2.gz QDUGGYTTZTUPOD-FQEVSTJZSA-N 1 0 387.474 4.157 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)C2CCC(C(F)(F)F)CC2)cc1F ZINC000458301239 822980466 /nfs/dbraw/zinc/98/04/66/822980466.db2.gz VUOBLZOIICYZBA-UHFFFAOYSA-N 1 0 376.394 4.073 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)[C@H]2CCCC[C@H]2C(F)(F)F)cc1F ZINC000458316492 822982496 /nfs/dbraw/zinc/98/24/96/822982496.db2.gz LZVLWJINESJAQU-UONOGXRCSA-N 1 0 376.394 4.073 20 0 GIADRO Cc1ccc(NC(=O)CS[C@@H](C)C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)cc1 ZINC000458322741 822983082 /nfs/dbraw/zinc/98/30/82/822983082.db2.gz QXDQYBVDFWKNGX-KRWDZBQOSA-N 1 0 399.560 4.064 20 0 GIADRO CSc1ccc(Cl)c(C(=O)Nc2ccc(OCC[NH+](C)C)c(F)c2)c1 ZINC000458325904 822983566 /nfs/dbraw/zinc/98/35/66/822983566.db2.gz UKEDZDDDPJCXRW-UHFFFAOYSA-N 1 0 382.888 4.394 20 0 GIADRO CC(C)CC[NH+]1CCC(CNC(=O)N[C@@H](c2ccccc2)c2cccnc2)CC1 ZINC000175500080 822984311 /nfs/dbraw/zinc/98/43/11/822984311.db2.gz PVEWYODVAJZIHZ-QHCPKHFHSA-N 1 0 394.563 4.228 20 0 GIADRO CN(C(=O)NC1CC(C)(c2ccccc2)C1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458336000 822984511 /nfs/dbraw/zinc/98/45/11/822984511.db2.gz OWMXFPAOSBIREF-UHFFFAOYSA-N 1 0 397.485 4.165 20 0 GIADRO Cc1csc(CCCC[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)n1 ZINC000569921486 822985992 /nfs/dbraw/zinc/98/59/92/822985992.db2.gz UXGDFWNJOGAJGK-CYBMUJFWSA-N 1 0 389.348 4.111 20 0 GIADRO Cc1nc(CCCC(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)cs1 ZINC000175508997 822986596 /nfs/dbraw/zinc/98/65/96/822986596.db2.gz DWCMAWTWFQYHNK-KRWDZBQOSA-N 1 0 385.577 4.465 20 0 GIADRO CN(CCc1cccs1)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000175515512 822988481 /nfs/dbraw/zinc/98/84/81/822988481.db2.gz KPICEVXTPYOUES-MAUKXSAKSA-N 1 0 377.579 4.077 20 0 GIADRO COC(=O)c1csc([C@@H](C)[NH2+]CCNc2cccc(Br)c2)c1 ZINC000569948984 822988839 /nfs/dbraw/zinc/98/88/39/822988839.db2.gz BXCFFMPRGBMAHK-LLVKDONJSA-N 1 0 383.311 4.060 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCOc3ccc(F)cc32)CC[N@@H+]1Cc1ccccc1 ZINC000175521524 822990233 /nfs/dbraw/zinc/99/02/33/822990233.db2.gz KBIQSBRTXSSAGV-OZOXKJRCSA-N 1 0 397.494 4.002 20 0 GIADRO COc1ccccc1CC(=O)N1CCC([NH2+][C@@H]2C[C@@H](C)c3ccccc32)CC1 ZINC000569964703 822990628 /nfs/dbraw/zinc/99/06/28/822990628.db2.gz OEUYCUGSPGPFES-VGOFRKELSA-N 1 0 378.516 4.067 20 0 GIADRO Cc1ccc(OCc2nc(CN3CC[C@H](C4CC[NH+](C)CC4)C3)cs2)cc1 ZINC000569968667 822990903 /nfs/dbraw/zinc/99/09/03/822990903.db2.gz JVZXNQTWSQRKHP-IBGZPJMESA-N 1 0 385.577 4.194 20 0 GIADRO Cc1cc(Br)cc([C@H](C)[NH2+]Cc2ccnc(N3CCCC3)c2)c1O ZINC000186979734 822991469 /nfs/dbraw/zinc/99/14/69/822991469.db2.gz OWBUVILMSRCUMS-AWEZNQCLSA-N 1 0 390.325 4.309 20 0 GIADRO O=C(c1ccccc1)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000175531755 822992161 /nfs/dbraw/zinc/99/21/61/822992161.db2.gz RPFXUTOKHMQBBD-GOSISDBHSA-N 1 0 376.422 4.213 20 0 GIADRO O=C(c1ccsc1)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000175534020 822992648 /nfs/dbraw/zinc/99/26/48/822992648.db2.gz MZQYOWFVOHYWMX-MRXNPFEDSA-N 1 0 382.451 4.275 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)Nc2ccc(F)c(C(=O)N(C)C)c2)cc1)C(C)C ZINC000175551613 822995642 /nfs/dbraw/zinc/99/56/42/822995642.db2.gz BXNJTZICLUTXHJ-UHFFFAOYSA-N 1 0 385.483 4.010 20 0 GIADRO Cc1cc(Br)cc([C@@H](C)[NH2+]C2CCN(c3ccccn3)CC2)c1O ZINC000187006042 822995949 /nfs/dbraw/zinc/99/59/49/822995949.db2.gz VBPAOXCWXXJSNZ-CQSZACIVSA-N 1 0 390.325 4.178 20 0 GIADRO O=C(NCCCCC[NH+]1CCCCC1)N1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000175561136 822997829 /nfs/dbraw/zinc/99/78/29/822997829.db2.gz FVDIGXKPWTZIGG-RBUKOAKNSA-N 1 0 393.597 4.002 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H](C)c2cccc(OC(F)(F)F)c2)C1 ZINC000175571097 822999977 /nfs/dbraw/zinc/99/99/77/822999977.db2.gz YXAQBZPIBGONFE-LSDHHAIUSA-N 1 0 387.446 4.020 20 0 GIADRO CCOc1cc2c(cc1C[NH2+]Cc1ccc3c(c1)COC(C)(C)O3)O[C@H](C)C2 ZINC000187027043 823000095 /nfs/dbraw/zinc/00/00/95/823000095.db2.gz FLXBEKZURWFVGY-OAHLLOKOSA-N 1 0 383.488 4.344 20 0 GIADRO C[C@]1(Cc2cccc(F)c2)CCCN1C(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000570047490 823000754 /nfs/dbraw/zinc/00/07/54/823000754.db2.gz WZIUWFZIWBUETI-XUZZJYLKSA-N 1 0 395.522 4.057 20 0 GIADRO C[C@]1(Cc2cccc(F)c2)CCCN1C(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000570047491 823000789 /nfs/dbraw/zinc/00/07/89/823000789.db2.gz WZIUWFZIWBUETI-ZJSXRUAMSA-N 1 0 395.522 4.057 20 0 GIADRO Cc1cc2c(cc1C)[C@@H]([NH2+]CCCS(=O)(=O)Cc1ccccc1)CCS2 ZINC000187036468 823001728 /nfs/dbraw/zinc/00/17/28/823001728.db2.gz CWTGEEMIQLSVEM-FQEVSTJZSA-N 1 0 389.586 4.435 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1c1cccc(C(=O)OC(C)(C)C)n1 ZINC000570062313 823001865 /nfs/dbraw/zinc/00/18/65/823001865.db2.gz WCQSUWAFYMZAGY-GOSISDBHSA-N 1 0 381.520 4.138 20 0 GIADRO COc1cccc([C@@H](C)[NH+]2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)c1 ZINC000175583381 823001982 /nfs/dbraw/zinc/00/19/82/823001982.db2.gz HPNVYKDAFOUHJY-QGZVFWFLSA-N 1 0 384.495 4.232 20 0 GIADRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]CCCOc2ccc(C)c(C)c2)cc1 ZINC000570063643 823002198 /nfs/dbraw/zinc/00/21/98/823002198.db2.gz XSCSZUJPHDWIKU-GOSISDBHSA-N 1 0 375.534 4.217 20 0 GIADRO CCN(C(=O)C[NH2+][C@@H](CCO)c1ccc(Cl)cc1)[C@@H](C)c1ccc(F)cc1 ZINC000570068812 823002885 /nfs/dbraw/zinc/00/28/85/823002885.db2.gz KBICXAGISDHSOT-YWZLYKJASA-N 1 0 392.902 4.102 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+][C@H](C)c1cccc(-n2ccnn2)c1 ZINC000570069159 823002899 /nfs/dbraw/zinc/00/28/99/823002899.db2.gz RQVHGTARIFBSKI-CHWSQXEVSA-N 1 0 392.429 4.055 20 0 GIADRO Cc1ccccc1[C@H](OC[C@@H](O)C[NH2+]Cc1ccn(C(C)C)n1)c1ccccc1 ZINC000570081991 823004395 /nfs/dbraw/zinc/00/43/95/823004395.db2.gz CDWBJHPMVHRLEL-LADGPHEKSA-N 1 0 393.531 4.029 20 0 GIADRO Cc1cc(Br)cc([C@H](C)[NH2+]Cc2ccccc2-n2ccnc2)c1O ZINC000187055238 823004516 /nfs/dbraw/zinc/00/45/16/823004516.db2.gz BIYWZFGUCMMVIL-AWEZNQCLSA-N 1 0 386.293 4.500 20 0 GIADRO CCOc1cc(C[NH2+][C@@H]2[C@H]3Cc4ccccc4[C@@H]23)cc(Br)c1OC ZINC000570084910 823004527 /nfs/dbraw/zinc/00/45/27/823004527.db2.gz OPHQHFNOULFCPM-KFKAGJAMSA-N 1 0 388.305 4.284 20 0 GIADRO [NH3+][C@H](CC(=O)NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1)c1ccccc1 ZINC000570089401 823004842 /nfs/dbraw/zinc/00/48/42/823004842.db2.gz IWHPHKZPSTTYRP-QGZVFWFLSA-N 1 0 380.385 4.082 20 0 GIADRO C[C@H](C(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1)[NH+]1CCCCCC1 ZINC000175603042 823005022 /nfs/dbraw/zinc/00/50/22/823005022.db2.gz BVCUMVUILGQUIQ-MRXNPFEDSA-N 1 0 376.928 4.026 20 0 GIADRO CC[C@@H](C(=O)N1CC(c2nc3ccccc3s2)C1)[N@H+](C)Cc1ccccc1 ZINC000570092056 823005011 /nfs/dbraw/zinc/00/50/11/823005011.db2.gz DDBWBGLUDHZGBX-IBGZPJMESA-N 1 0 379.529 4.133 20 0 GIADRO c1ccc(N2CC[NH+](CCc3ccncc3)CC2)c(N[C@@H]2CC[C@@H]2C2CC2)c1 ZINC000570103324 823006082 /nfs/dbraw/zinc/00/60/82/823006082.db2.gz UXFVCSRPNAHFHT-FGZHOGPDSA-N 1 0 376.548 4.047 20 0 GIADRO C[C@@H]([NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1)C1CCSCC1 ZINC000187073122 823006856 /nfs/dbraw/zinc/00/68/56/823006856.db2.gz VZJQGVYASUYRJA-CABCVRRESA-N 1 0 383.399 4.397 20 0 GIADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1sc2ccccc2c1Br ZINC000570135209 823008984 /nfs/dbraw/zinc/00/89/84/823008984.db2.gz JYZZEISDLZCTQQ-QWHCGFSZSA-N 1 0 379.323 4.020 20 0 GIADRO C[C@H]([NH2+][C@@H](c1cccs1)c1ccc(Cl)cc1)C1CCS(=O)(=O)CC1 ZINC000187089516 823009247 /nfs/dbraw/zinc/00/92/47/823009247.db2.gz INOXSLPCVBFKRJ-SCLBCKFNSA-N 1 0 383.966 4.294 20 0 GIADRO COc1ccccc1[C@@H](CC(C)C)NC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000175628070 823009470 /nfs/dbraw/zinc/00/94/70/823009470.db2.gz ZZSYICHLSRRJCM-HXUWFJFHSA-N 1 0 375.557 4.156 20 0 GIADRO CCOc1ccccc1CN(C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000175629701 823009672 /nfs/dbraw/zinc/00/96/72/823009672.db2.gz ZPRICEQRDVSQLD-DENIHFKCSA-N 1 0 395.547 4.280 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)N(C)CCc2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000175631384 823009817 /nfs/dbraw/zinc/00/98/17/823009817.db2.gz TWVWHXJEWCMMDV-XMSQKQJNSA-N 1 0 383.511 4.063 20 0 GIADRO Cc1cc(Br)cc([C@H](C)[NH2+]Cc2ccccc2-n2cccn2)c1O ZINC000187111900 823011989 /nfs/dbraw/zinc/01/19/89/823011989.db2.gz SZTOJAZAEPVJRU-AWEZNQCLSA-N 1 0 386.293 4.500 20 0 GIADRO CC[C@H]([NH2+][C@H](C)c1cc(C(=O)OC)cs1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000570171266 823011991 /nfs/dbraw/zinc/01/19/91/823011991.db2.gz URUQSHKUJWKWFF-MOXGXCLJSA-N 1 0 398.532 4.153 20 0 GIADRO CC1CC[NH+](C[C@@H]2CCCN(c3nnc(Cc4ccsc4)n3C3CC3)C2)CC1 ZINC000570170487 823011994 /nfs/dbraw/zinc/01/19/94/823011994.db2.gz RRMCKTSZFPVGLD-IBGZPJMESA-N 1 0 399.608 4.214 20 0 GIADRO COc1c(Br)cccc1C[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000187119740 823013564 /nfs/dbraw/zinc/01/35/64/823013564.db2.gz PMPUURQWPBYKFS-OAHLLOKOSA-N 1 0 375.310 4.074 20 0 GIADRO CC[NH+](CC)CC(=O)Nc1cccc(N[C@H]2CCCc3ccc(OC)cc32)c1 ZINC000570187488 823013605 /nfs/dbraw/zinc/01/36/05/823013605.db2.gz TVCOYGRRDXYWHZ-QFIPXVFZSA-N 1 0 381.520 4.465 20 0 GIADRO C[C@@H]([NH2+][C@@H](Cc1cccc(F)c1)c1cccc(F)c1)C1CCS(=O)(=O)CC1 ZINC000187121495 823013715 /nfs/dbraw/zinc/01/37/15/823013715.db2.gz PMYHTIFIFWMTRV-VFNWGFHPSA-N 1 0 393.499 4.052 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)NCCc2ccc(F)cc2F)CC1 ZINC000570193360 823013848 /nfs/dbraw/zinc/01/38/48/823013848.db2.gz NENMFLAPZFPTDN-UHFFFAOYSA-N 1 0 381.511 4.051 20 0 GIADRO C[NH+](C)CCN(Cc1cccs1)C(=O)Cc1csc(-c2cccs2)n1 ZINC000175658191 823014377 /nfs/dbraw/zinc/01/43/77/823014377.db2.gz BSMQJWUQTZUBMB-UHFFFAOYSA-N 1 0 391.587 4.066 20 0 GIADRO Cc1ccccc1-c1nc(C(=O)N(CC[NH+](C)C)Cc2cccs2)cs1 ZINC000175659072 823014557 /nfs/dbraw/zinc/01/45/57/823014557.db2.gz LIGYCDOVDFGLJD-UHFFFAOYSA-N 1 0 385.558 4.384 20 0 GIADRO C[NH+](C)CCN(Cc1cccs1)C(=O)/C=C/c1cnc(C(C)(C)C)s1 ZINC000175659561 823014738 /nfs/dbraw/zinc/01/47/38/823014738.db2.gz AEPDQVIXMUFVSK-CMDGGOBGSA-N 1 0 377.579 4.106 20 0 GIADRO Cc1cc(C[NH2+][C@@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)cc(N2CCCC2)n1 ZINC000570209864 823015634 /nfs/dbraw/zinc/01/56/34/823015634.db2.gz VXRRSDALFMRYFP-INIZCTEOSA-N 1 0 378.520 4.071 20 0 GIADRO C[C@H]([NH2+]Cc1ccccc1-c1ccc(Cl)cc1)C1CCS(=O)(=O)CC1 ZINC000187142655 823016959 /nfs/dbraw/zinc/01/69/59/823016959.db2.gz DRMIFSWPEFWOBG-HNNXBMFYSA-N 1 0 377.937 4.310 20 0 GIADRO O[C@@H](C[N@H+](CCC(F)(F)F)CC1CC1)c1ccc(F)c(Br)c1 ZINC000187145769 823017356 /nfs/dbraw/zinc/01/73/56/823017356.db2.gz BOXJIFRINHCZQY-AWEZNQCLSA-N 1 0 384.211 4.286 20 0 GIADRO O=C(NC1CC[NH+](Cc2cccnc2)CC1)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000175674187 823017608 /nfs/dbraw/zinc/01/76/08/823017608.db2.gz NBQLABFQRVVERX-RPWUZVMVSA-N 1 0 385.511 4.119 20 0 GIADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)CCCN3C)C1 ZINC000175673908 823017618 /nfs/dbraw/zinc/01/76/18/823017618.db2.gz CQGVVRORVSKHRX-OALUTQOASA-N 1 0 384.568 4.187 20 0 GIADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCCc2ccc3[nH]ccc3c2)C1 ZINC000570239189 823017827 /nfs/dbraw/zinc/01/78/27/823017827.db2.gz XHZLZMCRCJXTRM-ICSRJNTNSA-N 1 0 382.552 4.006 20 0 GIADRO CCN(C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[C@@H](C)Cc1ccsc1 ZINC000187151603 823018084 /nfs/dbraw/zinc/01/80/84/823018084.db2.gz ONAIPQPIGRRUIW-SFHVURJKSA-N 1 0 385.577 4.375 20 0 GIADRO O=C(N1CCC[C@H]([NH+]2CCCC2)CC1)C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000187164841 823019634 /nfs/dbraw/zinc/01/96/34/823019634.db2.gz YFNZKKYJPOAFMZ-SFHVURJKSA-N 1 0 380.454 4.214 20 0 GIADRO Cc1ccc(C2CCN(C(=O)c3ccc(C[NH+]4CCCCC4)cc3)CC2)cn1 ZINC000570269160 823021336 /nfs/dbraw/zinc/02/13/36/823021336.db2.gz UWHFKABFHKNINL-UHFFFAOYSA-N 1 0 377.532 4.396 20 0 GIADRO COc1ccc(C[C@@H](C)[NH2+][C@@H](C)c2ncc(Br)cc2F)cc1OC ZINC000187181519 823021787 /nfs/dbraw/zinc/02/17/87/823021787.db2.gz MGPJXUQHVIBRPL-NEPJUHHUSA-N 1 0 397.288 4.282 20 0 GIADRO COc1cccc(N2CCC[C@H]([NH2+][C@@H](C)c3cncc(Br)c3)C2)c1 ZINC000570291876 823023130 /nfs/dbraw/zinc/02/31/30/823023130.db2.gz GAWYZHIRNFSHIO-YOEHRIQHSA-N 1 0 390.325 4.172 20 0 GIADRO CCc1cccc2c(CC(=O)N(Cc3ccccc3)C3CC[NH+](C)CC3)c[nH]c21 ZINC000175700954 823023153 /nfs/dbraw/zinc/02/31/53/823023153.db2.gz UJDRSKMSJYDSDN-UHFFFAOYSA-N 1 0 389.543 4.396 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)CC[N@@H+]1C ZINC000175700459 823023158 /nfs/dbraw/zinc/02/31/58/823023158.db2.gz JCQYPVRTAUVKDA-DOTOQJQBSA-N 1 0 378.948 4.277 20 0 GIADRO COc1ccc(C(=O)Nc2cccc(C[N@@H+]3CCCO[C@@H](C(C)C)C3)c2)cc1 ZINC000570302401 823023794 /nfs/dbraw/zinc/02/37/94/823023794.db2.gz YAHRCLJQGQXTTM-JOCHJYFZSA-N 1 0 382.504 4.194 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)CC1 ZINC000175704009 823023845 /nfs/dbraw/zinc/02/38/45/823023845.db2.gz KGOXZVWOADIJBS-CTNGQTDRSA-N 1 0 384.470 4.191 20 0 GIADRO CC(C)n1nccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000175706690 823024674 /nfs/dbraw/zinc/02/46/74/823024674.db2.gz HEBFUEFGRDXGKA-CHWSQXEVSA-N 1 0 384.402 4.040 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000175708289 823024821 /nfs/dbraw/zinc/02/48/21/823024821.db2.gz MBPRZIBENZJHBS-IBGZPJMESA-N 1 0 395.551 4.150 20 0 GIADRO C[C@@H](NCc1ccc(F)c(C[NH+](C)C)c1)c1ncc(Br)cc1F ZINC000187209307 823025305 /nfs/dbraw/zinc/02/53/05/823025305.db2.gz HNNBODSNCYYJGL-LLVKDONJSA-N 1 0 384.268 4.035 20 0 GIADRO CCc1onc(-c2ccccc2Cl)c1C(=O)NCC1CC[NH+](CC)CC1 ZINC000570334920 823026708 /nfs/dbraw/zinc/02/67/08/823026708.db2.gz RSEPQPYOIBHWIJ-UHFFFAOYSA-N 1 0 375.900 4.019 20 0 GIADRO CN1CC[C@@H]([NH2+]Cc2nccn2Cc2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000570340539 823027022 /nfs/dbraw/zinc/02/70/22/823027022.db2.gz UMPNZAQYTZXKFM-IRLDBZIGSA-N 1 0 398.913 4.259 20 0 GIADRO Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+][C@H](C)C1CCS(=O)(=O)CC1 ZINC000187226263 823027522 /nfs/dbraw/zinc/02/75/22/823027522.db2.gz MTAWTMGAFLTAES-VQIMIIECSA-N 1 0 377.575 4.143 20 0 GIADRO C[C@@H](NC(=O)CCCc1ncc(-c2ccccc2)o1)[C@@H](c1ccccc1)[NH+](C)C ZINC000187228102 823027852 /nfs/dbraw/zinc/02/78/52/823027852.db2.gz QANLGNHWJRGSME-KOSHJBKYSA-N 1 0 391.515 4.472 20 0 GIADRO CCOC(=O)c1cc(NC(=O)c2cccc(C[NH+]3CCCC3)c2)c(F)cc1C ZINC000570350950 823027921 /nfs/dbraw/zinc/02/79/21/823027921.db2.gz BAFJUTKPNUWOKW-UHFFFAOYSA-N 1 0 384.451 4.159 20 0 GIADRO C[C@H]([NH2+]C[C@@H]1CCCN(C)[C@@H]1c1cccs1)c1cccc(-n2ccnn2)c1 ZINC000570353872 823028144 /nfs/dbraw/zinc/02/81/44/823028144.db2.gz DLPQUEQYLQCGLV-MDKPJZGXSA-N 1 0 381.549 4.063 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)N(C[C@H]2CCCO2)C2CCCC2)CC1 ZINC000175730013 823028209 /nfs/dbraw/zinc/02/82/09/823028209.db2.gz KWXBRJQIJMDQEL-HSZRJFAPSA-N 1 0 399.579 4.093 20 0 GIADRO O[C@@H]([C@H]1CCC[N@H+](Cc2ccc(-c3c(F)cccc3F)o2)C1)C(F)(F)F ZINC000570358779 823028802 /nfs/dbraw/zinc/02/88/02/823028802.db2.gz NOHVETLIPPNXTJ-GTNSWQLSSA-N 1 0 375.337 4.360 20 0 GIADRO C[C@H](NC(=O)Cc1csc(Cc2ccccc2)n1)[C@H](c1ccccc1)[NH+](C)C ZINC000187241971 823029357 /nfs/dbraw/zinc/02/93/57/823029357.db2.gz VXKMJDWIYXNELQ-GAJHUEQPSA-N 1 0 393.556 4.084 20 0 GIADRO Cc1ccccc1C[C@H](C)NC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000175740781 823030072 /nfs/dbraw/zinc/03/00/72/823030072.db2.gz GIZRNBAEMXNLPO-RBBKRZOGSA-N 1 0 379.548 4.090 20 0 GIADRO CCCC[NH+]1CCC(NC(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)CC1 ZINC000175743267 823030535 /nfs/dbraw/zinc/03/05/35/823030535.db2.gz CMVMXFKAYZFUOM-UHFFFAOYSA-N 1 0 394.519 4.325 20 0 GIADRO CC[C@@H](C)n1c2ccc(NC(=O)NC[C@@H]3CCC[NH2+]C3)cc2nc1C(F)(F)F ZINC000570380902 823031652 /nfs/dbraw/zinc/03/16/52/823031652.db2.gz QTLFRGNHLNKQSE-CHWSQXEVSA-N 1 0 397.445 4.147 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)C2(c3cc(F)cc(C(F)(F)F)c3)CC2)cc1 ZINC000187261748 823032435 /nfs/dbraw/zinc/03/24/35/823032435.db2.gz OFBDGRZRYMGRNJ-UHFFFAOYSA-N 1 0 394.412 4.254 20 0 GIADRO C[C@@H](NC(=O)c1cc(F)ccc1Br)[C@H](c1ccccc1)[NH+](C)C ZINC000187267013 823033238 /nfs/dbraw/zinc/03/32/38/823033238.db2.gz KCMFZHMQTQMMIX-SJKOYZFVSA-N 1 0 379.273 4.009 20 0 GIADRO C[C@H]([NH2+]C1(CNC(=O)NCc2cnc(C3CC3)o2)CCCC1)c1ccccc1 ZINC000458373547 823033572 /nfs/dbraw/zinc/03/35/72/823033572.db2.gz NQVFAESCGMWKKR-INIZCTEOSA-N 1 0 382.508 4.015 20 0 GIADRO Cc1ccsc1-c1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1C(C)C ZINC000570405118 823033579 /nfs/dbraw/zinc/03/35/79/823033579.db2.gz ZRRLNALJLRPPNJ-UHFFFAOYSA-N 1 0 375.586 4.453 20 0 GIADRO COc1cccc(C(F)(F)CNC2CC[NH+](Cc3ccccc3Cl)CC2)n1 ZINC000570405601 823033686 /nfs/dbraw/zinc/03/36/86/823033686.db2.gz IVNPDRGPBCGNAN-UHFFFAOYSA-N 1 0 395.881 4.090 20 0 GIADRO C[C@@H]([NH2+]C1(CNC(=O)NC2CC(C(C)(C)C)C2)CCOCC1)c1ccccc1 ZINC000458376250 823034099 /nfs/dbraw/zinc/03/40/99/823034099.db2.gz QCZOODMOPJPNFT-QHGAOEGBSA-N 1 0 387.568 4.010 20 0 GIADRO CCC(CC)(CNC(=O)NC[C@H]1CC12CCOCC2)[NH2+][C@H](C)c1ccccc1 ZINC000458379131 823034500 /nfs/dbraw/zinc/03/45/00/823034500.db2.gz SOGIRVLWSZQCEW-UYAOXDASSA-N 1 0 387.568 4.012 20 0 GIADRO CCC(CC)(CNC(=O)N[C@@H]1C[C@H](C)n2ccnc21)[NH2+][C@@H](C)c1ccccc1 ZINC000458380598 823034551 /nfs/dbraw/zinc/03/45/51/823034551.db2.gz URHLILBNOSRFGO-JENIJYKNSA-N 1 0 383.540 4.098 20 0 GIADRO C[C@@H]([NH2+]C(C)(C)CNC(=O)NCc1ccnc(C(F)(F)F)c1)c1ccccc1 ZINC000458379177 823034607 /nfs/dbraw/zinc/03/46/07/823034607.db2.gz SRCROWMDKCEFKR-CQSZACIVSA-N 1 0 394.441 4.029 20 0 GIADRO C[NH+](C)Cc1ccccc1NC(=O)Cc1c[nH]c2cccc(Br)c12 ZINC000570414257 823034660 /nfs/dbraw/zinc/03/46/60/823034660.db2.gz BOJYMZGZTACNEK-UHFFFAOYSA-N 1 0 386.293 4.173 20 0 GIADRO C[C@H](NC(=O)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000187274660 823035055 /nfs/dbraw/zinc/03/50/55/823035055.db2.gz IGNFLCWZFFPCBM-WJBZZZKMSA-N 1 0 376.422 4.015 20 0 GIADRO CCCN(CC[NH+]1CCCCC1)C(=O)Cc1csc(-c2cccc(F)c2)n1 ZINC000570419164 823035296 /nfs/dbraw/zinc/03/52/96/823035296.db2.gz FDIGQIVENIFPNJ-UHFFFAOYSA-N 1 0 389.540 4.216 20 0 GIADRO COc1c(Br)cccc1C[NH2+][C@H](C)c1cccc(-n2cccn2)c1 ZINC000187274998 823035350 /nfs/dbraw/zinc/03/53/50/823035350.db2.gz PVBBQSVGOYHGBV-CQSZACIVSA-N 1 0 386.293 4.494 20 0 GIADRO CCS[C@@H]1CCC[C@H]([NH2+]Cc2cccc(Cl)c2S(=O)(=O)CC)C1 ZINC000187280561 823036224 /nfs/dbraw/zinc/03/62/24/823036224.db2.gz COHAVLYGGXMFCX-LSDHHAIUSA-N 1 0 375.987 4.288 20 0 GIADRO [NH3+][C@H]1CCc2ncc(NC(=O)N3CCC[C@@H]3c3cccc4ccccc43)cc2C1 ZINC000570424782 823036477 /nfs/dbraw/zinc/03/64/77/823036477.db2.gz AYNGMKYUCILNCO-FDDCHVKYSA-N 1 0 386.499 4.420 20 0 GIADRO Cc1ccc(-c2cnc(CCC(=O)N[C@H](C)C[N@H+]3C[C@H](C)C[C@H](C)C3)o2)cc1 ZINC000055749796 823036556 /nfs/dbraw/zinc/03/65/56/823036556.db2.gz XSOZTIMFDGHQRZ-CEXWTWQISA-N 1 0 383.536 4.065 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(OCc3ccccc3F)cc2)CC[N@@H+]1C ZINC000175771412 823036713 /nfs/dbraw/zinc/03/67/13/823036713.db2.gz CVUGSWFJFLPPGK-VQIMIIECSA-N 1 0 385.483 4.351 20 0 GIADRO CN1CC[C@@H]([NH2+]Cc2ccc(Br)s2)[C@@H]1c1ccc(F)c(F)c1 ZINC000570430200 823036922 /nfs/dbraw/zinc/03/69/22/823036922.db2.gz RDDKOFYHHXXMCS-ZBFHGGJFSA-N 1 0 387.293 4.324 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)c1ccc2cc[nH]c2c1)[NH+]1CCCCC1 ZINC000055752530 823037074 /nfs/dbraw/zinc/03/70/74/823037074.db2.gz QJJGQUPIESGSJZ-OAQYLSRUSA-N 1 0 377.488 4.134 20 0 GIADRO CN(C(=O)NCC(C)(C)c1cccs1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458412799 823037773 /nfs/dbraw/zinc/03/77/73/823037773.db2.gz NEEIWBQSANRHKW-UHFFFAOYSA-N 1 0 391.503 4.084 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@@H]2C2CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000458411147 823037867 /nfs/dbraw/zinc/03/78/67/823037867.db2.gz ZAHVVOWZVKLREN-QRQLOZEOSA-N 1 0 395.469 4.282 20 0 GIADRO COc1cc([C@H](C)[NH2+]Cc2ccc(-n3ccnc3)nc2)ccc1OCC(C)C ZINC000175777477 823037951 /nfs/dbraw/zinc/03/79/51/823037951.db2.gz XIEXMNIMYPMCJV-KRWDZBQOSA-N 1 0 380.492 4.162 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)N2CC(C)(C)[C@@H]3CCC[C@H]32)[C@H]1c1cccs1 ZINC000458422477 823038387 /nfs/dbraw/zinc/03/83/87/823038387.db2.gz JFITUFPUNVBLQB-MTNOOBJLSA-N 1 0 375.582 4.351 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]Cc2cc(C)nc(N3CCCC3)c2)cc1 ZINC000570438798 823038582 /nfs/dbraw/zinc/03/85/82/823038582.db2.gz KCARZDYDRXJEAW-GOSISDBHSA-N 1 0 375.520 4.335 20 0 GIADRO COc1c(Br)cccc1C[NH2+]C[C@H](C[C@H](C)O)c1ccccc1 ZINC000187297074 823038969 /nfs/dbraw/zinc/03/89/69/823038969.db2.gz XRUDPZJBLWXDHY-YOEHRIQHSA-N 1 0 378.310 4.102 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCC(=O)N2C)c1ccc(OCC2CC2)c(F)c1 ZINC000187298400 823039132 /nfs/dbraw/zinc/03/91/32/823039132.db2.gz FBTGCFPBOSTFBT-OAHLLOKOSA-N 1 0 382.479 4.374 20 0 GIADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1c2c(nc3ccccc31)/C(=C/c1ccccc1)CC2 ZINC000570454383 823040226 /nfs/dbraw/zinc/04/02/26/823040226.db2.gz LDWCINNOYABGIC-PSAOSVNGSA-N 1 0 383.495 4.283 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCC[C@@]3(CCSC3)C2)[C@H]1c1cccs1 ZINC000458443049 823040904 /nfs/dbraw/zinc/04/09/04/823040904.db2.gz WTGREBMEJJFEOJ-IMFGXOCKSA-N 1 0 393.622 4.060 20 0 GIADRO CC1CC[NH+](Cc2ccc(CNC(=O)N3CCC([C@H]4CCCO4)CC3)cc2)CC1 ZINC000187310089 823040972 /nfs/dbraw/zinc/04/09/72/823040972.db2.gz CEBQIWRVMQBOTK-HSZRJFAPSA-N 1 0 399.579 4.019 20 0 GIADRO Cc1ccc(C[C@@H](C)NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)s1 ZINC000458444650 823041231 /nfs/dbraw/zinc/04/12/31/823041231.db2.gz UKGPLYMMLXNTEV-CYBMUJFWSA-N 1 0 391.503 4.046 20 0 GIADRO CCc1ncsc1NC(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000570468737 823041882 /nfs/dbraw/zinc/04/18/82/823041882.db2.gz ZNZNGRNBDVLITM-BLLLJJGKSA-N 1 0 396.919 4.313 20 0 GIADRO CCOc1cc(C[NH2+]CC(C)(C)C(C)(C)C)ccc1O[C@@H](C)C(=O)N(C)C ZINC000570470383 823042169 /nfs/dbraw/zinc/04/21/69/823042169.db2.gz HMGYVVHEVVMAPK-INIZCTEOSA-N 1 0 378.557 4.103 20 0 GIADRO C[C@@H](NC(=O)c1cc(NC(=O)CC(C)(C)C)ccc1Cl)C(C)(C)C[NH+](C)C ZINC000175796512 823042518 /nfs/dbraw/zinc/04/25/18/823042518.db2.gz SQFXKAKWDYPTBK-CQSZACIVSA-N 1 0 395.975 4.421 20 0 GIADRO O=C(Nc1nc(CC(F)(F)F)cs1)[C@H]1CCCCN1Cc1ccccc1 ZINC000570478731 823043453 /nfs/dbraw/zinc/04/34/53/823043453.db2.gz PJZHPUOUFVBZGZ-OAHLLOKOSA-N 1 0 383.439 4.241 20 0 GIADRO COc1ccc(C[NH2+]CC2(CCO)CCCCC2)cc1OCc1cccnc1 ZINC000175801318 823043547 /nfs/dbraw/zinc/04/35/47/823043547.db2.gz LUACUWNPEPNTLH-UHFFFAOYSA-N 1 0 384.520 4.092 20 0 GIADRO COc1ccc(OCc2ccccn2)c(C[NH2+]CC2(CCO)CCCCC2)c1 ZINC000175801545 823043819 /nfs/dbraw/zinc/04/38/19/823043819.db2.gz XMASEKNLCPIDPM-UHFFFAOYSA-N 1 0 384.520 4.092 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(N3CCc4sccc4C3)cc2)CC[N@@H+]1C ZINC000175802681 823043912 /nfs/dbraw/zinc/04/39/12/823043912.db2.gz DGCAIROLAUZWSQ-UZLBHIALSA-N 1 0 398.576 4.257 20 0 GIADRO O[C@H](CC[NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)C(F)(F)F ZINC000570485864 823044443 /nfs/dbraw/zinc/04/44/43/823044443.db2.gz LRDANRAGVPIQBE-GFCCVEGCSA-N 1 0 384.345 4.232 20 0 GIADRO COc1cc(C[NH2+]C[C@H](O)c2ccccc2Cl)ccc1OCc1ccncc1 ZINC000123804084 823542232 /nfs/dbraw/zinc/54/22/32/823542232.db2.gz XWEBMNMGMHHUPF-FQEVSTJZSA-N 1 0 398.890 4.146 20 0 GIADRO CC[NH+](CC)CCC[C@H](C)NC(=O)C1(c2ccccc2Br)CC1 ZINC000190161072 823544663 /nfs/dbraw/zinc/54/46/63/823544663.db2.gz CMHCYXHABUWORI-HNNXBMFYSA-N 1 0 381.358 4.107 20 0 GIADRO Cc1cncc(/C=C/C(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000123850509 823545589 /nfs/dbraw/zinc/54/55/89/823545589.db2.gz XPGPWBJKBYOMKE-KVTPPLCQSA-N 1 0 387.886 4.005 20 0 GIADRO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCOc1cccc2ccccc21 ZINC000177913304 823545685 /nfs/dbraw/zinc/54/56/85/823545685.db2.gz ZESODINNIZNGTA-XXBNENTESA-N 1 0 375.516 4.114 20 0 GIADRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H]1CCSc2ccccc21 ZINC000460936604 823546243 /nfs/dbraw/zinc/54/62/43/823546243.db2.gz ZJJQBVOZVKVJNJ-QFBILLFUSA-N 1 0 386.586 4.356 20 0 GIADRO Cc1cc(C)cc([C@H](C)[NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000177919888 823546176 /nfs/dbraw/zinc/54/61/76/823546176.db2.gz SJDRCRAFVOSUAX-ZCNNSNEGSA-N 1 0 380.532 4.404 20 0 GIADRO Cc1cc(C(=O)N(CCC[NH+]2CCCC2)c2ccc(Cl)cc2)nn1C(F)F ZINC000411102980 823546349 /nfs/dbraw/zinc/54/63/49/823546349.db2.gz PISWJYLEAQFYNU-UHFFFAOYSA-N 1 0 396.869 4.373 20 0 GIADRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+][C@@H]3CC(C)(C)Cc4occc43)cc2)C[C@@H](C)O1 ZINC000177921255 823546384 /nfs/dbraw/zinc/54/63/84/823546384.db2.gz ABWCJCJECAUKDU-CBGDNZLLSA-N 1 0 396.531 4.332 20 0 GIADRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+][C@@H]3CC(C)(C)Cc4occc43)cc2)C[C@H](C)O1 ZINC000177921241 823546486 /nfs/dbraw/zinc/54/64/86/823546486.db2.gz ABWCJCJECAUKDU-LLGFUMIMSA-N 1 0 396.531 4.332 20 0 GIADRO C[C@H]([NH2+]CCCOCC(F)(F)F)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000177922629 823546596 /nfs/dbraw/zinc/54/65/96/823546596.db2.gz HWPOSXIBNNHJQL-AWEZNQCLSA-N 1 0 393.471 4.023 20 0 GIADRO COc1ccc(CNC(=O)C[NH2+][C@H](C)c2ccc(SCC(F)F)cc2)cc1 ZINC000177924377 823546911 /nfs/dbraw/zinc/54/69/11/823546911.db2.gz OXECECFMQJRTCC-CQSZACIVSA-N 1 0 394.487 4.019 20 0 GIADRO COC[C@@H]([NH2+][C@@H]1CCN(C(=O)C2CCCCC2)C1)c1cccc(C(F)(F)F)c1 ZINC000123873186 823548259 /nfs/dbraw/zinc/54/82/59/823548259.db2.gz LPVNUYUHQARXJR-RTBURBONSA-N 1 0 398.469 4.164 20 0 GIADRO C[C@@H](C(=O)NCC1CC[NH+](Cc2cccs2)CC1)c1ccc(F)c(F)c1 ZINC000460946095 823548296 /nfs/dbraw/zinc/54/82/96/823548296.db2.gz XRCIIXWCVOUCEE-CQSZACIVSA-N 1 0 378.488 4.158 20 0 GIADRO C[C@H]1C[C@@H](CCNC(=O)N2CCCc3occc3C2)C[N@@H+]1Cc1ccccc1 ZINC000460948486 823548675 /nfs/dbraw/zinc/54/86/75/823548675.db2.gz WSIXUBVZSMPDID-AZUAARDMSA-N 1 0 381.520 4.038 20 0 GIADRO CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000177938302 823548643 /nfs/dbraw/zinc/54/86/43/823548643.db2.gz FXSFHPYWTHFGOU-UPCLLVRISA-N 1 0 394.515 4.478 20 0 GIADRO COc1ccc(CNC(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)cc1F ZINC000060630832 823549386 /nfs/dbraw/zinc/54/93/86/823549386.db2.gz ZLTRUWCGEKKFGM-OAQYLSRUSA-N 1 0 399.510 4.107 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)Nc1cccc(C(F)(F)F)n1 ZINC000123896992 823549806 /nfs/dbraw/zinc/54/98/06/823549806.db2.gz DXMCJENPSGUCCN-UHFFFAOYSA-N 1 0 378.398 4.018 20 0 GIADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ncoc1-c1ccccc1Cl ZINC000460956030 823550177 /nfs/dbraw/zinc/55/01/77/823550177.db2.gz GKKWQEKNIITOCA-RBSFLKMASA-N 1 0 375.900 4.091 20 0 GIADRO Cc1ccc2ncc(C[NH+]3CCC(NC(=O)c4ccc(F)cc4)CC3)cc2c1 ZINC000411139696 823551132 /nfs/dbraw/zinc/55/11/32/823551132.db2.gz CJGXRFMPQZGOSQ-UHFFFAOYSA-N 1 0 377.463 4.077 20 0 GIADRO CCOCCCNC(=O)C1CC[NH+](CCCc2cccc3ccccc32)CC1 ZINC000123913449 823551185 /nfs/dbraw/zinc/55/11/85/823551185.db2.gz HGVNYVGZTZTDOH-UHFFFAOYSA-N 1 0 382.548 4.027 20 0 GIADRO COc1cc(OC)c([C@H](C)[NH2+][C@@H]2CCN(C(=O)C3CCCCC3)C2)cc1Cl ZINC000123920004 823551742 /nfs/dbraw/zinc/55/17/42/823551742.db2.gz XYOBIWZOOJMWHW-GOEBONIOSA-N 1 0 394.943 4.189 20 0 GIADRO O=C(c1ccccc1)N1CCCN(Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411147778 823551754 /nfs/dbraw/zinc/55/17/54/823551754.db2.gz JIYQORPGEPTABQ-UHFFFAOYSA-N 1 0 391.559 4.021 20 0 GIADRO CC[C@H](C(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1)c1ccc(F)cc1 ZINC000460968535 823552683 /nfs/dbraw/zinc/55/26/83/823552683.db2.gz IRVSQNPOPLWANZ-VXKWHMMOSA-N 1 0 384.495 4.281 20 0 GIADRO Cc1ncsc1CCC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000411157277 823552664 /nfs/dbraw/zinc/55/26/64/823552664.db2.gz QVEOXLSVRYPCAU-MRXNPFEDSA-N 1 0 377.579 4.035 20 0 GIADRO Cc1cc(NC(=O)C(=O)N[C@@H](c2ccc(F)cc2)C(C)(C)C)ccc1C[NH+](C)C ZINC000411157703 823552699 /nfs/dbraw/zinc/55/26/99/823552699.db2.gz QZYGCPXXYIYBOX-FQEVSTJZSA-N 1 0 399.510 4.038 20 0 GIADRO Cc1cc(C)c(Br)c(C(=O)N2CCC([NH+]3CCCCC3)CC2)c1 ZINC000460972074 823553352 /nfs/dbraw/zinc/55/33/52/823553352.db2.gz WKFANKAWPHVHEU-UHFFFAOYSA-N 1 0 379.342 4.156 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)[C@@H]1CCCc2c(O)cccc21 ZINC000190231177 823553459 /nfs/dbraw/zinc/55/34/59/823553459.db2.gz OVJGWMVEXINHFS-OAQYLSRUSA-N 1 0 396.556 4.042 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2c[nH]cc2-c2ccc(F)cc2)C1 ZINC000460974903 823554057 /nfs/dbraw/zinc/55/40/57/823554057.db2.gz ZJHKEDSRFIQXMN-UZLBHIALSA-N 1 0 377.463 4.386 20 0 GIADRO Cc1cc([C@@H]2CCC[N@@H+]2CCC(=O)N[C@@H](c2cccs2)c2ccccc2)on1 ZINC000411172464 823554167 /nfs/dbraw/zinc/55/41/67/823554167.db2.gz LWLOFYXOSSWPLE-PGRDOPGGSA-N 1 0 395.528 4.477 20 0 GIADRO Cc1cc([C@H]2CCC[N@@H+]2CCC(=O)N[C@@H](c2cccs2)c2ccccc2)on1 ZINC000411172465 823554205 /nfs/dbraw/zinc/55/42/05/823554205.db2.gz LWLOFYXOSSWPLE-XMSQKQJNSA-N 1 0 395.528 4.477 20 0 GIADRO Cc1cc(C)c(Br)c(C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000460977477 823554639 /nfs/dbraw/zinc/55/46/39/823554639.db2.gz GSGWONSYSFIYJU-AWEZNQCLSA-N 1 0 381.358 4.308 20 0 GIADRO CC[C@@H](C(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1)C1CCC(C)CC1 ZINC000460978289 823554745 /nfs/dbraw/zinc/55/47/45/823554745.db2.gz JHUJVIWRHKYADT-YABDQXBESA-N 1 0 385.596 4.399 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@@H]1CCSc2ccccc21 ZINC000460978156 823554754 /nfs/dbraw/zinc/55/47/54/823554754.db2.gz HXVRGQZODBPEAZ-HXUWFJFHSA-N 1 0 384.520 4.186 20 0 GIADRO Cc1ccc(F)cc1C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123958143 823555472 /nfs/dbraw/zinc/55/54/72/823555472.db2.gz REIMMLOCUIIVFZ-AUUYWEPGSA-N 1 0 378.850 4.349 20 0 GIADRO COc1ccc2sc(C(=O)NC[C@H](c3ccc(F)cc3)[NH+](C)C)c(C)c2c1 ZINC000460983612 823555662 /nfs/dbraw/zinc/55/56/62/823555662.db2.gz KYMJAUKGXBXAGX-GOSISDBHSA-N 1 0 386.492 4.390 20 0 GIADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)C2(c3ccccc3Br)CC2)C1 ZINC000190249396 823555842 /nfs/dbraw/zinc/55/58/42/823555842.db2.gz FFTUAXFBVZFUMP-MRXNPFEDSA-N 1 0 393.369 4.109 20 0 GIADRO C[NH+](C)CCOc1ccccc1C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000060760315 823555973 /nfs/dbraw/zinc/55/59/73/823555973.db2.gz QUMVEDUAKKALMQ-QGZVFWFLSA-N 1 0 390.936 4.247 20 0 GIADRO CCCC[N@H+](C)CCNC(=O)c1cn(C(C)(C)C)nc1-c1ccc(F)cc1F ZINC000460995867 823556627 /nfs/dbraw/zinc/55/66/27/823556627.db2.gz GFWWFWMGOTZJBA-UHFFFAOYSA-N 1 0 392.494 4.045 20 0 GIADRO CC[N@H+](CCNC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1)C(C)C ZINC000460999945 823557415 /nfs/dbraw/zinc/55/74/15/823557415.db2.gz KKDOHDJCQZNDNT-UHFFFAOYSA-N 1 0 397.306 4.036 20 0 GIADRO 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 ZINC000461011159 823558603 /nfs/dbraw/zinc/55/86/03/823558603.db2.gz ZZQAFTRZOPCTJD-WXYCVUISSA-N 1 0 390.396 4.106 20 0 GIADRO Cc1cc(C)c(Br)c(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)c1 ZINC000461012307 823558900 /nfs/dbraw/zinc/55/89/00/823558900.db2.gz ATNVKWJNPADQCR-MRXNPFEDSA-N 1 0 379.342 4.060 20 0 GIADRO COc1cc(C[NH2+]C2CC2)ccc1OCCOc1cccc(Br)c1 ZINC000060815285 823559335 /nfs/dbraw/zinc/55/93/35/823559335.db2.gz FKHJAMMEMHXKOU-UHFFFAOYSA-N 1 0 392.293 4.168 20 0 GIADRO CC[N@H+](Cc1ccnc(N)c1)[C@H]1CCSc2ccc(Br)cc21 ZINC000411234602 823559425 /nfs/dbraw/zinc/55/94/25/823559425.db2.gz FRGRQHJOAYQLIY-HNNXBMFYSA-N 1 0 378.339 4.316 20 0 GIADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)N1Cc2ccccc2OC(C)(C)C1)c1ccco1 ZINC000461017117 823559607 /nfs/dbraw/zinc/55/96/07/823559607.db2.gz RDANFHOCTPBXNL-WMZOPIPTSA-N 1 0 385.508 4.092 20 0 GIADRO CCOc1cc(C[NH2+]CC(=O)Nc2ccc(F)c(F)c2)ccc1OCC(C)C ZINC000060818695 823559593 /nfs/dbraw/zinc/55/95/93/823559593.db2.gz GQOHAWXBAGDIHQ-UHFFFAOYSA-N 1 0 392.446 4.127 20 0 GIADRO CC(C)c1noc2nc(-c3ccco3)cc(C(=O)N(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)c21 ZINC000124017689 823560283 /nfs/dbraw/zinc/56/02/83/823560283.db2.gz PQYCOFZGMPZHIE-HUUCEWRRSA-N 1 0 396.491 4.161 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)c2cccc(OCc3ccc(Cl)cc3)c2)CC[N@@H+]1C ZINC000124022683 823560847 /nfs/dbraw/zinc/56/08/47/823560847.db2.gz YDFSLCGFLZNHOV-UZLBHIALSA-N 1 0 386.923 4.474 20 0 GIADRO C[NH+](C)C1(CNC(=O)c2cn(Cc3ccccc3)c3ccccc23)CCCC1 ZINC000060832661 823560906 /nfs/dbraw/zinc/56/09/06/823560906.db2.gz ZRAGRSSDCYSIHZ-UHFFFAOYSA-N 1 0 375.516 4.294 20 0 GIADRO Cc1nc(-c2cccc(NC(=O)C3CC[NH+]([C@@H]4CCSC4)CC3)c2)cs1 ZINC000411264766 823561064 /nfs/dbraw/zinc/56/10/64/823561064.db2.gz MYEBCUPIXCOVAE-GOSISDBHSA-N 1 0 387.574 4.275 20 0 GIADRO Cc1csc([C@@H](NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C2CC2)n1 ZINC000461026047 823561314 /nfs/dbraw/zinc/56/13/14/823561314.db2.gz FLOVNBGNFOOMSH-MJGOQNOKSA-N 1 0 387.524 4.070 20 0 GIADRO CC(C)C[NH+]1CCC(NC(=O)[C@@H](C)Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000411274067 823561415 /nfs/dbraw/zinc/56/14/15/823561415.db2.gz PBZMFLPGYJLJBX-HNNXBMFYSA-N 1 0 386.458 4.000 20 0 GIADRO Brc1cc(C[NH2+]CCN2CCCC2)ccc1OCc1ccccc1 ZINC000060844457 823561482 /nfs/dbraw/zinc/56/14/82/823561482.db2.gz ARPKVCFCLONLLW-UHFFFAOYSA-N 1 0 389.337 4.214 20 0 GIADRO Cc1ccc(C[NH2+]Cc2cc(Br)cs2)c(-n2cc(Cl)cn2)n1 ZINC000190312118 823561715 /nfs/dbraw/zinc/56/17/15/823561715.db2.gz MRKZJNYHPMLUCN-UHFFFAOYSA-N 1 0 397.729 4.343 20 0 GIADRO C[C@](CO)([NH2+]Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C1CCCCC1 ZINC000411278865 823561808 /nfs/dbraw/zinc/56/18/08/823561808.db2.gz AWLAXJPEUFQCLW-JOCHJYFZSA-N 1 0 397.544 4.485 20 0 GIADRO O=C(c1ccc(O)cc1)C1CC[NH+](Cc2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000124037758 823561814 /nfs/dbraw/zinc/56/18/14/823561814.db2.gz ZVDJBQXPIQHIAA-QHCPKHFHSA-N 1 0 395.499 4.045 20 0 GIADRO Cc1cccc(C[NH+]2CCN(c3nc(C(F)(F)F)nc4ccccc43)CC2)c1 ZINC000060846885 823561853 /nfs/dbraw/zinc/56/18/53/823561853.db2.gz LLNQGAUBDUOOIM-UHFFFAOYSA-N 1 0 386.421 4.279 20 0 GIADRO C[NH+](C)CC(C)(C)CNc1nc(-c2cnccn2)nc2sc3c(c21)CCCC3 ZINC000060858198 823562714 /nfs/dbraw/zinc/56/27/14/823562714.db2.gz VAAMPCAGSGEDGU-UHFFFAOYSA-N 1 0 396.564 4.027 20 0 GIADRO c1cc(N2CCN(c3nc(C4CC4)nc4sc5c(c43)CCCC5)CC2)cc[nH+]1 ZINC000060858472 823562896 /nfs/dbraw/zinc/56/28/96/823562896.db2.gz UDXLNOMEMCKDNU-UHFFFAOYSA-N 1 0 391.544 4.169 20 0 GIADRO O=C(N[C@H]1c2ccccc2CC12CCOCC2)c1cccc(C[NH+]2CCCC2)c1 ZINC000461035139 823562928 /nfs/dbraw/zinc/56/29/28/823562928.db2.gz YYPJRFQFPKRLPA-QHCPKHFHSA-N 1 0 390.527 4.106 20 0 GIADRO CC(C)(C[NH2+]Cc1cnc(N2CCOCC2)s1)c1ccc(C(F)(F)F)cc1 ZINC000190335152 823564278 /nfs/dbraw/zinc/56/42/78/823564278.db2.gz ZFROKBPEVGJBPF-UHFFFAOYSA-N 1 0 399.482 4.066 20 0 GIADRO CCOC(=O)c1csc(CC[NH2+]Cc2ccc(Oc3cccnc3)c(C)c2)n1 ZINC000190343506 823565010 /nfs/dbraw/zinc/56/50/10/823565010.db2.gz GMWTXTYIJYXAJU-UHFFFAOYSA-N 1 0 397.500 4.148 20 0 GIADRO COc1cccc(CN(CC[NH+](C)C)C(=O)Nc2c(C)cccc2Cl)c1 ZINC000190349263 823565406 /nfs/dbraw/zinc/56/54/06/823565406.db2.gz RKCNACCFPNKJTR-UHFFFAOYSA-N 1 0 375.900 4.253 20 0 GIADRO Cc1cc(NC(=O)C(=O)N[C@@H](CC2CCC2)c2ccccc2)ccc1C[NH+](C)C ZINC000411361560 823566526 /nfs/dbraw/zinc/56/65/26/823566526.db2.gz XQHWXBLFUMZZTC-QFIPXVFZSA-N 1 0 393.531 4.043 20 0 GIADRO O=S(=O)(NCc1cccc(C[NH+]2CCCCCC2)c1)c1ccccc1Cl ZINC000060920762 823566888 /nfs/dbraw/zinc/56/68/88/823566888.db2.gz NIAIQOVHWNNUKF-UHFFFAOYSA-N 1 0 392.952 4.195 20 0 GIADRO O=C(NCc1ccc(F)cc1C(F)(F)F)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000124102447 823567824 /nfs/dbraw/zinc/56/78/24/823567824.db2.gz HAHAJXRYUKWABO-KSSFIOAISA-N 1 0 399.432 4.003 20 0 GIADRO COc1cc(OC)c([C@H](C)[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)cc1Cl ZINC000124115034 823568723 /nfs/dbraw/zinc/56/87/23/823568723.db2.gz VMYZCZVPGYUNFZ-ZFWWWQNUSA-N 1 0 388.895 4.093 20 0 GIADRO Cc1csc(C2([NH2+]CCC(=O)NCc3ccccc3Cl)CCCC2)n1 ZINC000411394067 823569582 /nfs/dbraw/zinc/56/95/82/823569582.db2.gz XLHUAJKGXVNYRD-UHFFFAOYSA-N 1 0 377.941 4.170 20 0 GIADRO CC[C@](C)([NH2+]CCC(=O)Nc1cccc(Br)c1)c1nccs1 ZINC000411396678 823569966 /nfs/dbraw/zinc/56/99/66/823569966.db2.gz XMVXCAMKPYCPPF-INIZCTEOSA-N 1 0 382.327 4.149 20 0 GIADRO C[N@@H+]1CCN(CCC(=O)Nc2c(Cl)cccc2Cl)[C@H](c2ccccc2)C1 ZINC000411412535 823571483 /nfs/dbraw/zinc/57/14/83/823571483.db2.gz FCDJATYDLSHTTR-SFHVURJKSA-N 1 0 392.330 4.311 20 0 GIADRO Cc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]CCCn2ccnc2)cc1 ZINC000061003064 823572194 /nfs/dbraw/zinc/57/21/94/823572194.db2.gz DDAVKJZBJJALMT-UHFFFAOYSA-N 1 0 385.515 4.283 20 0 GIADRO CC[NH2+]Cc1ccc(OCCOc2ccc(Br)cc2)c(OCC)c1 ZINC000061003233 823572352 /nfs/dbraw/zinc/57/23/52/823572352.db2.gz KAIMHQXGPSNLHL-UHFFFAOYSA-N 1 0 394.309 4.415 20 0 GIADRO O=C(CC[N@H+](Cc1cccnc1)C1CC1)NC(c1ccccc1)c1ccccc1 ZINC000411422206 823572392 /nfs/dbraw/zinc/57/23/92/823572392.db2.gz SRUQPVPUVRPEKW-UHFFFAOYSA-N 1 0 385.511 4.342 20 0 GIADRO O=C(NCCSC(F)(F)F)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000061011580 823572680 /nfs/dbraw/zinc/57/26/80/823572680.db2.gz AFQOLDXSOIDDFI-UHFFFAOYSA-N 1 0 389.487 4.115 20 0 GIADRO CCCCOc1ccc(C[NH2+][C@H]2CCCO[C@@H]2c2nccn2CC)cc1OC ZINC000190430955 823572695 /nfs/dbraw/zinc/57/26/95/823572695.db2.gz DVUJRFHNXRQIII-RXVVDRJESA-N 1 0 387.524 4.100 20 0 GIADRO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+][C@H]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000190431601 823572807 /nfs/dbraw/zinc/57/28/07/823572807.db2.gz SBKRFLDBSVSUQB-SSKFGXFMSA-N 1 0 378.520 4.060 20 0 GIADRO CC(C)(C[NH2+]Cc1ccc(-c2cccc(Cl)c2Cl)o1)N1CCOCC1 ZINC000061013125 823572993 /nfs/dbraw/zinc/57/29/93/823572993.db2.gz YHRIRNDJZNWILJ-UHFFFAOYSA-N 1 0 383.319 4.454 20 0 GIADRO CC1(c2ccccc2)CCC([NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)CC1 ZINC000461084026 823573117 /nfs/dbraw/zinc/57/31/17/823573117.db2.gz GZXCIHYYKDBEOE-UHFFFAOYSA-N 1 0 398.572 4.217 20 0 GIADRO CC[NH+](CC)CCN(C(=O)c1cnc(C)s1)c1cccc(C(F)(F)F)c1 ZINC000461084017 823573147 /nfs/dbraw/zinc/57/31/47/823573147.db2.gz GXZDTPSZWVWBSX-UHFFFAOYSA-N 1 0 385.455 4.459 20 0 GIADRO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(C)C ZINC000190433536 823573158 /nfs/dbraw/zinc/57/31/58/823573158.db2.gz VHVRTBLYZNXBHR-XJABCFGWSA-N 1 0 398.551 4.253 20 0 GIADRO CCC[C@H](CCc1ccccc1)[NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1 ZINC000461085076 823573490 /nfs/dbraw/zinc/57/34/90/823573490.db2.gz HBUDWFBRLXEXKI-OAQYLSRUSA-N 1 0 386.561 4.118 20 0 GIADRO O=C(CC[N@H+](Cc1ccccn1)C1CC1)NC(c1ccccc1)c1ccccc1 ZINC000411437605 823574175 /nfs/dbraw/zinc/57/41/75/823574175.db2.gz ABZYPVGEZHWWKN-UHFFFAOYSA-N 1 0 385.511 4.342 20 0 GIADRO COc1ccc(F)cc1[C@@H](C)[NH2+]CCC(=O)Nc1ccccc1Br ZINC000411445120 823574862 /nfs/dbraw/zinc/57/48/62/823574862.db2.gz GGIHYLKZIVMKNN-GFCCVEGCSA-N 1 0 395.272 4.276 20 0 GIADRO O=C(NC[C@H]1CCN(c2ccccc2)C1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000061041995 823574970 /nfs/dbraw/zinc/57/49/70/823574970.db2.gz HDZXXVZJFBTQBK-OAQYLSRUSA-N 1 0 398.595 4.001 20 0 GIADRO COc1cccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)c1OC(C)C ZINC000124178572 823575069 /nfs/dbraw/zinc/57/50/69/823575069.db2.gz SNSPSZGIRVFROG-LJQANCHMSA-N 1 0 398.551 4.180 20 0 GIADRO CCCCc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)cc1 ZINC000461092864 823575203 /nfs/dbraw/zinc/57/52/03/823575203.db2.gz ZPKPLBRNKIKTCA-GOSISDBHSA-N 1 0 386.561 4.420 20 0 GIADRO CSc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)cc1 ZINC000411446517 823575228 /nfs/dbraw/zinc/57/52/28/823575228.db2.gz OUBAAAFJIRKXLT-ZFWWWQNUSA-N 1 0 383.460 4.100 20 0 GIADRO Cc1cscc1NC(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000124183191 823575266 /nfs/dbraw/zinc/57/52/66/823575266.db2.gz PHLDLOOQJKBIQX-HNNXBMFYSA-N 1 0 383.439 4.471 20 0 GIADRO CC[NH+](CC)CCN(C(=O)c1ccncc1F)c1cccc(C(F)(F)F)c1 ZINC000461094867 823575753 /nfs/dbraw/zinc/57/57/53/823575753.db2.gz ALTKKLFLPCGMFU-UHFFFAOYSA-N 1 0 383.389 4.228 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1cc(Cl)cc(Cl)c1 ZINC000461095817 823576069 /nfs/dbraw/zinc/57/60/69/823576069.db2.gz YEZPBWPCVLHVLN-ZDUSSCGKSA-N 1 0 399.343 4.384 20 0 GIADRO COC(=O)c1cccc(C[NH2+][C@H](C)c2ccc(Br)cc2OC)c1 ZINC000190450079 823576141 /nfs/dbraw/zinc/57/61/41/823576141.db2.gz MJUGXHLHFVNGNJ-GFCCVEGCSA-N 1 0 378.266 4.095 20 0 GIADRO COc1ccc(C[C@H]([NH2+]CCc2c(C)nn(C)c2C)c2ccc(OC)cc2)cc1 ZINC000124191561 823576182 /nfs/dbraw/zinc/57/61/82/823576182.db2.gz YNFDJDQLZQWTMX-DEOSSOPVSA-N 1 0 393.531 4.170 20 0 GIADRO O=C(CC[NH2+][C@@H](CCO)c1ccccc1)N[C@H](c1cccs1)c1ccccc1 ZINC000411453401 823576456 /nfs/dbraw/zinc/57/64/56/823576456.db2.gz XKVPPIBBCWTKJL-REWPJTCUSA-N 1 0 394.540 4.057 20 0 GIADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H](C)CSc2ccccc2OC)C[C@@H]1C ZINC000461098185 823576584 /nfs/dbraw/zinc/57/65/84/823576584.db2.gz NNKLIXCXXJWUDD-XLAORIBOSA-N 1 0 379.566 4.381 20 0 GIADRO CSc1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccccc2OC(F)F)cc1 ZINC000411455297 823576633 /nfs/dbraw/zinc/57/66/33/823576633.db2.gz ZWCWMXUTWRSVJH-UONOGXRCSA-N 1 0 383.460 4.100 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@H](c1ccccc1)[C@H]1CCOC1 ZINC000411456606 823576834 /nfs/dbraw/zinc/57/68/34/823576834.db2.gz GROJVCFHLADXJX-HRAATJIYSA-N 1 0 388.895 4.045 20 0 GIADRO COc1cc(NC(=O)CC[NH2+][C@@H](C)c2ccc(C)cc2)c(OC)cc1Cl ZINC000411458104 823577009 /nfs/dbraw/zinc/57/70/09/823577009.db2.gz LNLGOBUQKQFKLT-AWEZNQCLSA-N 1 0 376.884 4.345 20 0 GIADRO C[C@@H]([NH2+][C@@H](CCO)C1CCOCC1)c1ccc(SCC(F)(F)F)cc1 ZINC000461100071 823577149 /nfs/dbraw/zinc/57/71/49/823577149.db2.gz PDVXKLVIFHTGNN-DYVFJYSZSA-N 1 0 377.472 4.169 20 0 GIADRO CC(C)[N@@H+](Cc1ccc(NC(=O)[C@@H]2[C@H](C)C2(F)F)cc1)C[C@H]1CCCCO1 ZINC000461101611 823577504 /nfs/dbraw/zinc/57/75/04/823577504.db2.gz SOHDYSCPEKEFQF-IPELMVKDSA-N 1 0 380.479 4.306 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CCC(=O)Nc2ccc(OC)c(Cl)c2)cc1F ZINC000411462603 823577613 /nfs/dbraw/zinc/57/76/13/823577613.db2.gz RLJKWUTXNNUJCI-LBPRGKRZSA-N 1 0 380.847 4.176 20 0 GIADRO CC(C)(C)n1nccc1NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000190461994 823577771 /nfs/dbraw/zinc/57/77/71/823577771.db2.gz FSFDVOYRJUHRGE-UXHICEINSA-N 1 0 395.551 4.157 20 0 GIADRO Cc1c(Cl)cc(NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)cc1Cl ZINC000124212389 823577838 /nfs/dbraw/zinc/57/78/38/823577838.db2.gz VRMOAKHUHDVLLP-UHFFFAOYSA-N 1 0 393.318 4.483 20 0 GIADRO COc1cc(Br)ccc1[C@@H](C)[NH2+]Cc1cc(F)cc(C(C)=O)c1O ZINC000190463693 823577927 /nfs/dbraw/zinc/57/79/27/823577927.db2.gz WMGOTCKJVXRRTP-SNVBAGLBSA-N 1 0 396.256 4.356 20 0 GIADRO COc1cccc([C@H](C)[NH2+]CC(=O)N(Cc2ccco2)Cc2ccccc2)c1 ZINC000411466363 823578136 /nfs/dbraw/zinc/57/81/36/823578136.db2.gz YZHDVEXZHCQEOS-SFHVURJKSA-N 1 0 378.472 4.168 20 0 GIADRO CO[C@]1(C[NH2+][C@H](c2cccc(SC)c2)c2cc(F)ccc2F)CCOC1 ZINC000461105162 823578244 /nfs/dbraw/zinc/57/82/44/823578244.db2.gz WUZBZFLOESFVKI-UXHICEINSA-N 1 0 379.472 4.171 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CCSc2c(F)cccc21)c1cccs1 ZINC000061113161 823578850 /nfs/dbraw/zinc/57/88/50/823578850.db2.gz LKAMVTHMGQCOOD-CABCVRRESA-N 1 0 379.526 4.026 20 0 GIADRO C[C@H]([NH2+]CCc1nc2ccccc2c(=O)[nH]1)c1cccc(OC(F)(F)F)c1 ZINC000411474144 823579116 /nfs/dbraw/zinc/57/91/16/823579116.db2.gz LCMGEUIFUBTUJX-LBPRGKRZSA-N 1 0 377.366 4.127 20 0 GIADRO C[C@@H]([NH2+][C@H](CCO)C1CCOCC1)c1cc2cc(Br)ccc2o1 ZINC000461110934 823579516 /nfs/dbraw/zinc/57/95/16/823579516.db2.gz SNTKIFXSOXOXNX-MLGOLLRUSA-N 1 0 382.298 4.024 20 0 GIADRO CC[C@H]([NH2+]Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C1CCOCC1 ZINC000411479856 823579603 /nfs/dbraw/zinc/57/96/03/823579603.db2.gz MZJNBXSEKUUHBC-KRWDZBQOSA-N 1 0 383.517 4.359 20 0 GIADRO COC1CC[NH+](C(C)(C)CNC(=O)c2ccccc2Sc2ccccc2)CC1 ZINC000461112268 823579697 /nfs/dbraw/zinc/57/96/97/823579697.db2.gz JRFXCKVTSREUFM-UHFFFAOYSA-N 1 0 398.572 4.457 20 0 GIADRO O=C(Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)Nc1ccc(Cl)cc1Cl ZINC000461111882 823579730 /nfs/dbraw/zinc/57/97/30/823579730.db2.gz LHVHIQNVMYVJQU-HNNXBMFYSA-N 1 0 380.275 4.204 20 0 GIADRO CC[N@H+](Cc1c[nH]c2ccccc12)[C@@H](C)C(=O)Nc1ccc(OC)cc1OC ZINC000190482051 823579793 /nfs/dbraw/zinc/57/97/93/823579793.db2.gz HZLKHXIPWNVJHQ-HNNXBMFYSA-N 1 0 381.476 4.034 20 0 GIADRO CSc1ccccc1NC(=O)CC[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000411480948 823579868 /nfs/dbraw/zinc/57/98/68/823579868.db2.gz WVIOAHHVXNYIBK-YLJYHZDGSA-N 1 0 384.545 4.495 20 0 GIADRO COC1CC[NH+](C(C)(C)CNC(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)CC1 ZINC000461115221 823580284 /nfs/dbraw/zinc/58/02/84/823580284.db2.gz SFVXNBVWMGUALP-QZTJIDSGSA-N 1 0 399.362 4.103 20 0 GIADRO COc1ccc(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)c(C)c1 ZINC000461116477 823580456 /nfs/dbraw/zinc/58/04/56/823580456.db2.gz KXDHQKJFASICCX-UHFFFAOYSA-N 1 0 386.923 4.299 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)c2ccccc2OCc2ccccc2Cl)CC[N@@H+]1C ZINC000124244063 823580605 /nfs/dbraw/zinc/58/06/05/823580605.db2.gz YTUDZVLXLMSXJN-WMZOPIPTSA-N 1 0 386.923 4.474 20 0 GIADRO CCc1cnccc1[C@H](C)[NH2+]CC(=O)N(Cc1ccco1)Cc1ccccc1 ZINC000411500138 823581699 /nfs/dbraw/zinc/58/16/99/823581699.db2.gz FOWLDDKKGLCGGB-SFHVURJKSA-N 1 0 377.488 4.117 20 0 GIADRO CC(C)OC(=O)C[C@H]([NH2+]CCC(=O)Nc1ccccc1Cl)c1ccccc1 ZINC000411506513 823582204 /nfs/dbraw/zinc/58/22/04/823582204.db2.gz QBMLQVQOVZYNPH-IBGZPJMESA-N 1 0 388.895 4.341 20 0 GIADRO CC(=O)Nc1cc(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)cc(C(F)(F)F)c1 ZINC000124267107 823582352 /nfs/dbraw/zinc/58/23/52/823582352.db2.gz CDWXJLRZEDHLEN-AWEZNQCLSA-N 1 0 399.457 4.048 20 0 GIADRO CCC[C@H]([NH2+]CCC(=O)Nc1cccc2ccccc21)c1nnc2ccccn21 ZINC000411512728 823582744 /nfs/dbraw/zinc/58/27/44/823582744.db2.gz MVNJOYRDSRWPEH-FQEVSTJZSA-N 1 0 387.487 4.342 20 0 GIADRO C[C@]1([NH2+]CCC(=O)Nc2ccccc2Oc2ccccc2)CCO[C@H]1C1CC1 ZINC000411513762 823583063 /nfs/dbraw/zinc/58/30/63/823583063.db2.gz PVIPHMLVQAFNLJ-GOTSBHOMSA-N 1 0 380.488 4.355 20 0 GIADRO COc1c(Cl)cccc1NC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000061192233 823583325 /nfs/dbraw/zinc/58/33/25/823583325.db2.gz OZUXIJHXNBJJTM-UHFFFAOYSA-N 1 0 387.911 4.131 20 0 GIADRO Cc1cnc([C@@H]([NH2+]CCC(=O)Nc2ccccc2Br)C2CC2)s1 ZINC000411516979 823583547 /nfs/dbraw/zinc/58/35/47/823583547.db2.gz LBIXYVZXCQCXPY-INIZCTEOSA-N 1 0 394.338 4.284 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)NOCc1ccccc1)c1ccccc1Cl ZINC000061193881 823583518 /nfs/dbraw/zinc/58/35/18/823583518.db2.gz FNGZCIHOJVMHJJ-IBGZPJMESA-N 1 0 375.900 4.154 20 0 GIADRO COc1ccc(Cl)c(NC(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)c1 ZINC000061196113 823583763 /nfs/dbraw/zinc/58/37/63/823583763.db2.gz HRHWXMKKYGOZCI-UHFFFAOYSA-N 1 0 387.911 4.131 20 0 GIADRO CC(C)(C)[NH+]1CCC(NC(=O)NC(c2cccs2)c2cccs2)CC1 ZINC000124285391 823583905 /nfs/dbraw/zinc/58/39/05/823583905.db2.gz RSLRYBIZSLYOEO-UHFFFAOYSA-N 1 0 377.579 4.461 20 0 GIADRO Cc1csc([C@H](C)[NH2+]CCC(=O)NC(c2ccccc2)c2ccccc2)n1 ZINC000411519710 823583878 /nfs/dbraw/zinc/58/38/78/823583878.db2.gz NPQMMNBDCLPIIO-KRWDZBQOSA-N 1 0 379.529 4.398 20 0 GIADRO CC[C@H]([NH2+]CCC(=O)Nc1cccc(Br)c1)c1c(C)noc1C ZINC000411519929 823583973 /nfs/dbraw/zinc/58/39/73/823583973.db2.gz UJMRGYAVAWKNSO-HNNXBMFYSA-N 1 0 380.286 4.123 20 0 GIADRO C[C@H]1C[C@H](c2cccnc2)[N@H+](CCC(=O)Nc2ccccc2Br)C1 ZINC000411521710 823584272 /nfs/dbraw/zinc/58/42/72/823584272.db2.gz BZNUVZNCHBUARQ-KBXCAEBGSA-N 1 0 388.309 4.256 20 0 GIADRO CCC[NH+]1CCN(C(=O)c2ccccc2Nc2ccc(OC(F)F)cc2)CC1 ZINC000061205773 823584484 /nfs/dbraw/zinc/58/44/84/823584484.db2.gz KVSBDPIBAPTHAR-UHFFFAOYSA-N 1 0 389.446 4.199 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)c2cc3cnn(C(C)C)c3nc2C)cc1 ZINC000190545740 823585000 /nfs/dbraw/zinc/58/50/00/823585000.db2.gz OPNAZJGXLFQXRK-UHFFFAOYSA-N 1 0 379.508 4.415 20 0 GIADRO COc1cccc([C@@H](CNC(=O)NCc2csc3ccccc23)[NH+](C)C)c1 ZINC000061222113 823585151 /nfs/dbraw/zinc/58/51/51/823585151.db2.gz TWTYPVPLCOCYCF-LJQANCHMSA-N 1 0 383.517 4.012 20 0 GIADRO COc1cccc([C@H](CNC(=O)N[C@@H](C)c2cccc(OC(C)C)c2)[NH+](C)C)c1 ZINC000061222001 823585161 /nfs/dbraw/zinc/58/51/61/823585161.db2.gz CMRQRLHKNDQKNQ-JTSKRJEESA-N 1 0 399.535 4.146 20 0 GIADRO CSc1ccc([C@@H](C)NC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)cc1 ZINC000061220877 823585191 /nfs/dbraw/zinc/58/51/91/823585191.db2.gz YGHAOLXOZUOPIB-KUHUBIRLSA-N 1 0 375.513 4.211 20 0 GIADRO Brc1ccc(-c2nnc(C[N@@H+]3CC[C@@H](Cc4ccccc4)C3)o2)o1 ZINC000124300507 823585323 /nfs/dbraw/zinc/58/53/23/823585323.db2.gz NHKWBQIFSXEOFQ-AWEZNQCLSA-N 1 0 388.265 4.157 20 0 GIADRO CC(C)OCc1c2ccccc2oc1C(=O)NCc1ccccc1C[NH+](C)C ZINC000061232621 823585898 /nfs/dbraw/zinc/58/58/98/823585898.db2.gz NOZNPUZDPFBDOC-UHFFFAOYSA-N 1 0 380.488 4.349 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)C1(Cc2ccccc2Cl)CC1 ZINC000190557084 823586080 /nfs/dbraw/zinc/58/60/80/823586080.db2.gz JKUYWHIMLDUILF-UHFFFAOYSA-N 1 0 382.935 4.444 20 0 GIADRO COc1ccc(-c2cc(C(=O)NCCC[NH+]3CCCC3)c3ccccc3n2)cc1 ZINC000061238509 823586523 /nfs/dbraw/zinc/58/65/23/823586523.db2.gz PFXHQIBQEMPVFM-UHFFFAOYSA-N 1 0 389.499 4.126 20 0 GIADRO O=C(N[C@H](CC(F)(F)F)c1ccccc1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000411541324 823586693 /nfs/dbraw/zinc/58/66/93/823586693.db2.gz XZIICGFIALAIRW-DLBZAZTESA-N 1 0 386.483 4.014 20 0 GIADRO C[C@@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(F)c(Br)c1 ZINC000124320977 823586907 /nfs/dbraw/zinc/58/69/07/823586907.db2.gz MOPOYUQUCCYCGH-MNOVXSKESA-N 1 0 383.227 4.123 20 0 GIADRO OC1(Cc2cccc(F)c2)CC[NH+](Cc2ccc(-c3ncco3)cc2F)CC1 ZINC000411544786 823587104 /nfs/dbraw/zinc/58/71/04/823587104.db2.gz OVISGYMWIQZEPG-UHFFFAOYSA-N 1 0 384.426 4.189 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(CNC(=O)C=C(C)C)cc2)cc1 ZINC000190567907 823587179 /nfs/dbraw/zinc/58/71/79/823587179.db2.gz ATGJGUMJJGTTMR-UHFFFAOYSA-N 1 0 393.531 4.363 20 0 GIADRO Cn1c2ccccc2nc1C(C)(C)[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000411547748 823587358 /nfs/dbraw/zinc/58/73/58/823587358.db2.gz WUZFKOXVGPOUPP-UHFFFAOYSA-N 1 0 395.894 4.344 20 0 GIADRO CC(=O)Nc1cccc(C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)c1C ZINC000190573442 823587545 /nfs/dbraw/zinc/58/75/45/823587545.db2.gz QOCJRJTYFXGDTJ-UHFFFAOYSA-N 1 0 393.531 4.115 20 0 GIADRO Cc1c2cc(Br)ccc2oc1C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000124332555 823587943 /nfs/dbraw/zinc/58/79/43/823587943.db2.gz FLOVIQDCOUKFQM-UHFFFAOYSA-N 1 0 393.325 4.308 20 0 GIADRO CCS[C@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1ccccc1Br ZINC000411559548 823587946 /nfs/dbraw/zinc/58/79/46/823587946.db2.gz IGPZJKHDBATQPW-HOTGVXAUSA-N 1 0 385.371 4.432 20 0 GIADRO Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)[N@H+](C)CCCn2ccnc2)c1 ZINC000124331561 823587991 /nfs/dbraw/zinc/58/79/91/823587991.db2.gz DSILTZFYRCHEPK-QFIPXVFZSA-N 1 0 376.504 4.202 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[NH2+][C@@H]1CCCO[C@H]1CC(C)C ZINC000411560705 823588196 /nfs/dbraw/zinc/58/81/96/823588196.db2.gz PMXNDDBYWMLXHR-RTWAWAEBSA-N 1 0 398.551 4.001 20 0 GIADRO C[C@@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)c1ccccc1C(F)(F)F ZINC000411593194 823589614 /nfs/dbraw/zinc/58/96/14/823589614.db2.gz FDGKESPCDRWSBA-HIFRSBDPSA-N 1 0 386.483 4.100 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCSCC2)c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000061286877 823589865 /nfs/dbraw/zinc/58/98/65/823589865.db2.gz BEFYLFSMGUVSAC-UHFFFAOYSA-N 1 0 391.880 4.049 20 0 GIADRO COC(=O)c1ccc(C[NH2+][C@@](C)(c2ccc(Br)cc2)C(C)C)nc1 ZINC000411623331 823591710 /nfs/dbraw/zinc/59/17/10/823591710.db2.gz RHBRQRQTCCRQLX-LJQANCHMSA-N 1 0 391.309 4.292 20 0 GIADRO C[NH+](C)C(C)(C)CNC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1 ZINC000061343180 823592399 /nfs/dbraw/zinc/59/23/99/823592399.db2.gz HMHBUOXHZBKFOV-UHFFFAOYSA-N 1 0 386.348 4.116 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000124389762 823592644 /nfs/dbraw/zinc/59/26/44/823592644.db2.gz XKVGUNISTUVXAP-UHFFFAOYSA-N 1 0 375.513 4.062 20 0 GIADRO CC[C@@H](NC(=O)NCc1ccccc1C[N@H+](C)C(C)C)c1ccc(OC)cc1 ZINC000061349381 823592822 /nfs/dbraw/zinc/59/28/22/823592822.db2.gz SXQXNZMWZFDFGQ-JOCHJYFZSA-N 1 0 383.536 4.486 20 0 GIADRO O=C(CC[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)Nc1ccccc1F ZINC000411643471 823593267 /nfs/dbraw/zinc/59/32/67/823593267.db2.gz JEOWIDRDVNEWKP-HKUYNNGSSA-N 1 0 380.822 4.067 20 0 GIADRO CC(C)(CO)[C@H]([NH2+]CCc1nc(-c2cccc(Cl)c2)no1)c1ccccc1 ZINC000411646179 823593589 /nfs/dbraw/zinc/59/35/89/823593589.db2.gz VEFOQLJCIHMHPY-LJQANCHMSA-N 1 0 385.895 4.282 20 0 GIADRO CC(C)(CO)[C@@H]([NH2+]CCC(=O)Nc1ccccc1C(F)(F)F)c1ccccc1 ZINC000411646707 823593754 /nfs/dbraw/zinc/59/37/54/823593754.db2.gz WDVAYNBPVQBZRI-IBGZPJMESA-N 1 0 394.437 4.383 20 0 GIADRO O=C(CC[NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1)Nc1ccc(Cl)cc1 ZINC000411650537 823594151 /nfs/dbraw/zinc/59/41/51/823594151.db2.gz QXGYMQJWGSWDHJ-HKUYNNGSSA-N 1 0 380.822 4.067 20 0 GIADRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)[C@@H]1CCCc2c(O)cccc21 ZINC000190644740 823594750 /nfs/dbraw/zinc/59/47/50/823594750.db2.gz VDKRMLLOQYUHIV-JBYIUTFZSA-N 1 0 392.543 4.085 20 0 GIADRO COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000190646406 823594995 /nfs/dbraw/zinc/59/49/95/823594995.db2.gz VNTFQWKKXSHRPZ-ZIAGYGMSSA-N 1 0 395.459 4.078 20 0 GIADRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)Nc1ccc(N2CCCCC2)nc1 ZINC000061397521 823595084 /nfs/dbraw/zinc/59/50/84/823595084.db2.gz UOCURJGJWNBNOX-OAQYLSRUSA-N 1 0 393.535 4.031 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000061396982 823595118 /nfs/dbraw/zinc/59/51/18/823595118.db2.gz VAYNLJSZEURLLO-UHFFFAOYSA-N 1 0 395.551 4.234 20 0 GIADRO CCOc1ccccc1NC(=O)CC[NH2+][C@H](COC)c1ccc(Cl)cc1 ZINC000411659826 823595365 /nfs/dbraw/zinc/59/53/65/823595365.db2.gz ZGPHSCGHGFUSLX-GOSISDBHSA-N 1 0 376.884 4.045 20 0 GIADRO O=C(CC[NH2+][C@@]1(CO)CCCc2ccccc21)Nc1c(Cl)cccc1Cl ZINC000411671024 823596141 /nfs/dbraw/zinc/59/61/41/823596141.db2.gz HEVKUOMCZIBJAC-HXUWFJFHSA-N 1 0 393.314 4.136 20 0 GIADRO OC[C@H](NCc1cccc(C[NH+]2CCCCC2)c1)c1cccc(Cl)c1F ZINC000411670560 823596223 /nfs/dbraw/zinc/59/62/23/823596223.db2.gz KYGTXNXUBRTCKL-FQEVSTJZSA-N 1 0 376.903 4.288 20 0 GIADRO C[C@H](CSCc1ccccc1)C(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000124446641 823597470 /nfs/dbraw/zinc/59/74/70/823597470.db2.gz SCZCIJMSOGPJNH-GOSISDBHSA-N 1 0 386.561 4.272 20 0 GIADRO COCC[C@H]([NH2+]Cc1csc(CC(=O)Nc2ccccc2C)n1)C(C)(C)C ZINC000411693734 823597544 /nfs/dbraw/zinc/59/75/44/823597544.db2.gz MGUZIZOTSWLCNL-SFHVURJKSA-N 1 0 389.565 4.174 20 0 GIADRO CC(=O)Oc1ccc(C[N@@H+](Cc2ccccc2)C[C@H](O)c2cccs2)cc1 ZINC000124448861 823597666 /nfs/dbraw/zinc/59/76/66/823597666.db2.gz PUKGXPNFRBBXLW-NRFANRHFSA-N 1 0 381.497 4.409 20 0 GIADRO COc1cccc([C@@H](CNC(=O)Nc2ccc(N3CCCC3)cc2C)[NH+](C)C)c1 ZINC000124449130 823597781 /nfs/dbraw/zinc/59/77/81/823597781.db2.gz NNFDCRIWJZDUCG-JOCHJYFZSA-N 1 0 396.535 4.028 20 0 GIADRO CCCN(CC[NH+](CC)CC)C(=O)c1cnc(-c2ccc(OC)cc2)s1 ZINC000461204127 823598066 /nfs/dbraw/zinc/59/80/66/823598066.db2.gz PSVRBVRFRVTBES-UHFFFAOYSA-N 1 0 375.538 4.013 20 0 GIADRO C[C@@H]([NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1)[C@H](O)c1ccc(F)cc1 ZINC000124455922 823598162 /nfs/dbraw/zinc/59/81/62/823598162.db2.gz WXORYQBTIBCPTJ-VFNWGFHPSA-N 1 0 376.903 4.155 20 0 GIADRO COc1ccccc1C(C)(C)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000061502301 823600061 /nfs/dbraw/zinc/60/00/61/823600061.db2.gz HRDBJIMERGXOOS-NRFANRHFSA-N 1 0 380.532 4.235 20 0 GIADRO Cc1ccc(-c2nc(CC(=O)NC[C@@H]3CCC[N@@H+](CC(C)C)C3)cs2)cc1 ZINC000124480992 823600300 /nfs/dbraw/zinc/60/03/00/823600300.db2.gz WKOFSMDFEUUQJL-SFHVURJKSA-N 1 0 385.577 4.145 20 0 GIADRO C[C@@H](NC(=O)N(C)[C@H]1CC[C@@H](C(F)(F)F)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000461217138 823600346 /nfs/dbraw/zinc/60/03/46/823600346.db2.gz KZNQSOJVYBVPKM-BGTYHANMSA-N 1 0 385.474 4.440 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)CC1 ZINC000461216967 823600355 /nfs/dbraw/zinc/60/03/55/823600355.db2.gz JYNZTNDATNUSAC-UHFFFAOYSA-N 1 0 396.560 4.247 20 0 GIADRO Cc1cc(-n2cccn2)ccc1NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000190706344 823600520 /nfs/dbraw/zinc/60/05/20/823600520.db2.gz DEMVXGDEXNCCBP-FQEVSTJZSA-N 1 0 395.551 4.301 20 0 GIADRO CSc1ccc(OC[C@@H](O)C[N@H+](C)[C@H]2CC[C@@H](C(F)(F)F)CC2)cc1 ZINC000411733651 823600974 /nfs/dbraw/zinc/60/09/74/823600974.db2.gz GQDZWMHHMSEOCL-ZNMIVQPWSA-N 1 0 377.472 4.201 20 0 GIADRO OCC[C@H]([NH2+]CCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(Cl)cc1 ZINC000411739317 823601184 /nfs/dbraw/zinc/60/11/84/823601184.db2.gz NHFYQSMVEPIXQZ-KRWDZBQOSA-N 1 0 392.286 4.299 20 0 GIADRO O=C(C[C@H](c1ccc(O)cc1)C1CC1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000411746738 823602101 /nfs/dbraw/zinc/60/21/01/823602101.db2.gz UDNRCRJGJOQZMY-QFIPXVFZSA-N 1 0 398.572 4.366 20 0 GIADRO Cc1c(F)cccc1NC(=O)CC[NH2+][C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000411754994 823602639 /nfs/dbraw/zinc/60/26/39/823602639.db2.gz YGSWRULLMNZVHV-FPOVZHCZSA-N 1 0 389.902 4.151 20 0 GIADRO COc1cc(Cl)c(F)c(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000411757389 823602806 /nfs/dbraw/zinc/60/28/06/823602806.db2.gz LFGCMBDCOCPTGQ-ZDUSSCGKSA-N 1 0 396.915 4.191 20 0 GIADRO O=C(CC[NH2+][C@H](c1ccccc1)C1(CO)CCC1)Nc1ccc(Cl)cc1F ZINC000411759555 823602981 /nfs/dbraw/zinc/60/29/81/823602981.db2.gz QJBSLAVWXNOBRA-HXUWFJFHSA-N 1 0 390.886 4.301 20 0 GIADRO COc1ccc(NC(=O)CC[NH2+][C@@H](C)[C@@H]2OCCc3sccc32)cc1Cl ZINC000411761248 823603197 /nfs/dbraw/zinc/60/31/97/823603197.db2.gz USVUVDGVCUPCOE-BUXKBTBVSA-N 1 0 394.924 4.031 20 0 GIADRO C[C@H]1CCCC[C@H]1OCCNC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000061553681 823603292 /nfs/dbraw/zinc/60/32/92/823603292.db2.gz UGTZFOFWYHCHGF-SIKLNZKXSA-N 1 0 387.568 4.067 20 0 GIADRO CC(C)[C@@H]([NH2+]CCC(=O)Nc1c(Cl)cccc1Cl)[C@@H](CO)C(C)C ZINC000411781872 823604211 /nfs/dbraw/zinc/60/42/11/823604211.db2.gz CXAUEZJJICIEFZ-SUMWQHHRSA-N 1 0 375.340 4.201 20 0 GIADRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)c1ccc(OCC2CC2)cc1 ZINC000061567159 823604298 /nfs/dbraw/zinc/60/42/98/823604298.db2.gz WDVGPVPHFXUZAG-UHFFFAOYSA-N 1 0 384.545 4.179 20 0 GIADRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)C1(c2cccc(F)c2)CCC1 ZINC000061568228 823604457 /nfs/dbraw/zinc/60/44/57/823604457.db2.gz BDIYEXDELDUWHI-UHFFFAOYSA-N 1 0 386.536 4.337 20 0 GIADRO COCC[C@H]([NH2+]Cc1csc(C(=O)OC)c1)c1cccc(C(F)(F)F)c1 ZINC000411791514 823605066 /nfs/dbraw/zinc/60/50/66/823605066.db2.gz PYZKIPYKNMBBCO-HNNXBMFYSA-N 1 0 387.423 4.421 20 0 GIADRO O=C(c1ccoc1)N1CCC([NH2+][C@H](c2cccc(Cl)c2)c2ccccn2)CC1 ZINC000124544745 823605122 /nfs/dbraw/zinc/60/51/22/823605122.db2.gz RNSLRMOSSIOWGT-OAQYLSRUSA-N 1 0 395.890 4.312 20 0 GIADRO Cc1cnc([C@H](NC(=O)[C@@H](C)[NH+]2CCC(Cc3ccccc3)CC2)C2CC2)s1 ZINC000461254133 823605282 /nfs/dbraw/zinc/60/52/82/823605282.db2.gz ZGRCXLQXZDUSKO-DYESRHJHSA-N 1 0 397.588 4.362 20 0 GIADRO Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C[NH2+]CCCOCC1CC1 ZINC000061580956 823605437 /nfs/dbraw/zinc/60/54/37/823605437.db2.gz PKUKUVBKOLSWKD-UHFFFAOYSA-N 1 0 382.335 4.453 20 0 GIADRO Brc1ccc(C[NH2+]CCc2nccs2)cc1Br ZINC000124548403 823605468 /nfs/dbraw/zinc/60/54/68/823605468.db2.gz UJLKLYPCSDKWKW-UHFFFAOYSA-N 1 0 376.117 4.000 20 0 GIADRO C[C@](CO)([NH2+]CCc1nc(-c2ccccc2)no1)c1cc(Cl)cc(Cl)c1 ZINC000411797547 823605647 /nfs/dbraw/zinc/60/56/47/823605647.db2.gz HVLUUJPIWPCTMA-LJQANCHMSA-N 1 0 392.286 4.083 20 0 GIADRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@H]1C[C@]1(F)c1ccccc1 ZINC000411801037 823606075 /nfs/dbraw/zinc/60/60/75/823606075.db2.gz YKLYBTXSAKGNIK-KNQAVFIVSA-N 1 0 384.520 4.367 20 0 GIADRO O=C(NCc1ccc(C(F)(F)F)cc1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000061601788 823606081 /nfs/dbraw/zinc/60/60/81/823606081.db2.gz HGGXZEFXWNCCDT-IBGZPJMESA-N 1 0 391.437 4.169 20 0 GIADRO COc1ccc(C(=O)NCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)cc1OC ZINC000061620264 823606367 /nfs/dbraw/zinc/60/63/67/823606367.db2.gz FRDOBSXWKDKQSD-ROUUACIJSA-N 1 0 396.531 4.112 20 0 GIADRO CCn1cc([C@@H](C)[NH2+]CCC(=O)Nc2ccccc2Oc2ccccc2)cn1 ZINC000411806130 823606447 /nfs/dbraw/zinc/60/64/47/823606447.db2.gz UUSMTCJNPNNTGG-QGZVFWFLSA-N 1 0 378.476 4.375 20 0 GIADRO CCN(CC)c1nc2sc(C(=O)N(C)CC[C@H]3CCCC[N@@H+]3C)cc2s1 ZINC000461259808 823606894 /nfs/dbraw/zinc/60/68/94/823606894.db2.gz UJLKNOGQVNKWOX-CQSZACIVSA-N 1 0 394.610 4.150 20 0 GIADRO CC(C)O[C@H]1C[C@H]([NH2+]Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)C1(C)C ZINC000411810442 823606907 /nfs/dbraw/zinc/60/69/07/823606907.db2.gz VYQULOAQDWICGE-GJZGRUSLSA-N 1 0 387.505 4.339 20 0 GIADRO Cc1ccc([C@H](NC(=O)NCCC[N@@H+]2CCc3ccccc3C2)C2CC2)cc1 ZINC000061633991 823606947 /nfs/dbraw/zinc/60/69/47/823606947.db2.gz XCJAWZWZHNAVOL-QHCPKHFHSA-N 1 0 377.532 4.194 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCSCC2)c1)c1csc(-c2ccccn2)n1 ZINC000061637032 823607189 /nfs/dbraw/zinc/60/71/89/823607189.db2.gz LLMAQRUSCQZAQZ-UHFFFAOYSA-N 1 0 396.541 4.006 20 0 GIADRO COc1ccc(-c2ccc(C(=O)N(C)CC[C@H]3CCCC[N@@H+]3C)c(F)c2)cc1 ZINC000461260884 823607262 /nfs/dbraw/zinc/60/72/62/823607262.db2.gz GALCQZZBYXZQGJ-LJQANCHMSA-N 1 0 384.495 4.448 20 0 GIADRO Cc1ccc(-c2ccsc2C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000061648421 823607409 /nfs/dbraw/zinc/60/74/09/823607409.db2.gz AOUCFQCHDSGMHZ-UHFFFAOYSA-N 1 0 398.572 4.298 20 0 GIADRO Fc1cccc([C@@H]2CN(Cc3ccccc3)C[C@H]2[NH2+]CCc2cncs2)c1 ZINC000411816236 823607909 /nfs/dbraw/zinc/60/79/09/823607909.db2.gz HEZZMTPEBPNGQU-FCHUYYIVSA-N 1 0 381.520 4.083 20 0 GIADRO C[C@H](CCCc1cccnc1)[NH2+]CCC(=O)Nc1cccc(Br)c1 ZINC000411820888 823608435 /nfs/dbraw/zinc/60/84/35/823608435.db2.gz NFZUTBOSUPVKFC-OAHLLOKOSA-N 1 0 390.325 4.174 20 0 GIADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000461264277 823608506 /nfs/dbraw/zinc/60/85/06/823608506.db2.gz ODYGWMOFROPFRW-CYBMUJFWSA-N 1 0 396.304 4.016 20 0 GIADRO COCCCCC[N@@H+]1CCC[C@H]1c1nc(-c2ccccc2Br)no1 ZINC000190795981 823609944 /nfs/dbraw/zinc/60/99/44/823609944.db2.gz FVBRDHOXCQCQCH-INIZCTEOSA-N 1 0 394.313 4.453 20 0 GIADRO Brc1ccccc1-c1noc([C@@H]2CCC[N@@H+]2CCc2ccncc2)n1 ZINC000190799639 823610533 /nfs/dbraw/zinc/61/05/33/823610533.db2.gz DAMNKGNIEZNIKX-KRWDZBQOSA-N 1 0 399.292 4.274 20 0 GIADRO O=C(Nc1ccc(F)cc1F)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000061743168 823611237 /nfs/dbraw/zinc/61/12/37/823611237.db2.gz VADHVXNKJUYUTC-UHFFFAOYSA-N 1 0 379.838 4.404 20 0 GIADRO C[NH+](C)CCn1c2cc(NCc3cccc(Cl)c3Cl)ccc2oc1=O ZINC000124617483 823611493 /nfs/dbraw/zinc/61/14/93/823611493.db2.gz DTSISQLLSZKDBB-UHFFFAOYSA-N 1 0 380.275 4.075 20 0 GIADRO CC(=O)Nc1cc(NC(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)ccc1F ZINC000061749176 823611533 /nfs/dbraw/zinc/61/15/33/823611533.db2.gz BNVHTZXRIAVJFO-NRFANRHFSA-N 1 0 398.482 4.051 20 0 GIADRO CCCN(CC[NH+](CC)CC)C(=O)c1ccc(NC(=O)c2cccs2)cc1 ZINC000461283692 823611623 /nfs/dbraw/zinc/61/16/23/823611623.db2.gz RYDSVQDFYZMQBQ-UHFFFAOYSA-N 1 0 387.549 4.194 20 0 GIADRO Cc1ccc([C@H](CNC(=O)C[C@H](c2ccc(O)cc2)C2CC2)[NH+]2CCCC2)o1 ZINC000411878681 823612252 /nfs/dbraw/zinc/61/22/52/823612252.db2.gz SUMISLXKDHVLAZ-SFTDATJTSA-N 1 0 382.504 4.131 20 0 GIADRO CC(C)N(C)c1ccc(CNc2ccc(N(C)C3CC[NH+](C)CC3)cc2)cn1 ZINC000190836457 823614694 /nfs/dbraw/zinc/61/46/94/823614694.db2.gz SMNUXBCTVRFGTE-UHFFFAOYSA-N 1 0 381.568 4.069 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)N[C@H]1C[C@H]1c1cccc(F)c1 ZINC000061791725 823614742 /nfs/dbraw/zinc/61/47/42/823614742.db2.gz GXRFGBOLJMEFAL-SFTDATJTSA-N 1 0 399.535 4.095 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H]1CC(C)(C)Oc2ccccc21 ZINC000411931346 823614765 /nfs/dbraw/zinc/61/47/65/823614765.db2.gz HWMUNNFKOYHHEP-NRFANRHFSA-N 1 0 380.532 4.442 20 0 GIADRO CO[C@](C)([C@H](C)[NH2+]CC(=O)Nc1c(Cl)cccc1C(F)(F)F)C1CC1 ZINC000411935567 823614968 /nfs/dbraw/zinc/61/49/68/823614968.db2.gz BILJJNBLYIULBP-MGPLVRAMSA-N 1 0 378.822 4.091 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)Nc2ccc(-n3cccn3)cc2C)[NH+]2CCCC2)o1 ZINC000190848522 823616076 /nfs/dbraw/zinc/61/60/76/823616076.db2.gz WNTLSFLQEXXCRA-HXUWFJFHSA-N 1 0 393.491 4.041 20 0 GIADRO Cc1cc(C(=O)[C@H](C)[N@@H+]2C[C@@H](O)C[C@H]2c2ccccc2)c(C)n1Cc1ccco1 ZINC000411954588 823616347 /nfs/dbraw/zinc/61/63/47/823616347.db2.gz UYAVFOYCBNNKTJ-LEDOBFOHSA-N 1 0 392.499 4.125 20 0 GIADRO COc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000411955884 823616540 /nfs/dbraw/zinc/61/65/40/823616540.db2.gz PXRXTUNHGZBIHU-XZOQPEGZSA-N 1 0 392.543 4.169 20 0 GIADRO Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)NCCCC[N@H+]3CCC[C@@H](C)C3)nc2c1 ZINC000061864530 823616610 /nfs/dbraw/zinc/61/66/10/823616610.db2.gz OMDKGZCDERIDLJ-NQIIRXRSSA-N 1 0 397.567 4.230 20 0 GIADRO Cc1csc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c1Br ZINC000190858645 823617181 /nfs/dbraw/zinc/61/71/81/823617181.db2.gz LQISTRURVLYUEZ-GFCCVEGCSA-N 1 0 399.379 4.447 20 0 GIADRO CCOc1cccc(CNC(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)c1 ZINC000061867686 823616779 /nfs/dbraw/zinc/61/67/79/823616779.db2.gz BXGNLKXAWGBCEQ-LJQANCHMSA-N 1 0 395.547 4.459 20 0 GIADRO O=C(c1cccc(C[NH+]2CCCCC2)c1)N1CCO[C@H](c2cccc(F)c2)C1 ZINC000411960819 823616829 /nfs/dbraw/zinc/61/68/29/823616829.db2.gz SWGCVEQSUPSISA-QFIPXVFZSA-N 1 0 382.479 4.025 20 0 GIADRO CO[C@](C)([C@H](C)[NH2+]Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1)C1CC1 ZINC000411974823 823617424 /nfs/dbraw/zinc/61/74/24/823617424.db2.gz UUEJNSYFCORIFF-YEJXKQKISA-N 1 0 383.517 4.357 20 0 GIADRO Cc1csc(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)c1Br ZINC000190878136 823618747 /nfs/dbraw/zinc/61/87/47/823618747.db2.gz SOGWHEUUKLSWNE-HNNXBMFYSA-N 1 0 393.350 4.386 20 0 GIADRO CCN(C(=O)[C@@H](C)[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1)c1ccccc1 ZINC000411993368 823618940 /nfs/dbraw/zinc/61/89/40/823618940.db2.gz ZBDMVDWCPFFMBQ-KNQAVFIVSA-N 1 0 378.516 4.282 20 0 GIADRO CCN(C(=O)[C@@H](C)[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1)c1ccccc1 ZINC000411993367 823618970 /nfs/dbraw/zinc/61/89/70/823618970.db2.gz ZBDMVDWCPFFMBQ-DENIHFKCSA-N 1 0 378.516 4.282 20 0 GIADRO O=C(Nc1ccc(Oc2ccccc2)cn1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000411999551 823619852 /nfs/dbraw/zinc/61/98/52/823619852.db2.gz CFUUCQSSDADATG-KRWDZBQOSA-N 1 0 383.517 4.030 20 0 GIADRO C[C@@H](NC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(OC(F)F)c1 ZINC000061959939 823620023 /nfs/dbraw/zinc/62/00/23/823620023.db2.gz RLEFTVBUHLHNIJ-OWCLPIDISA-N 1 0 383.483 4.016 20 0 GIADRO Cc1csc(C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1Br ZINC000190889862 823620378 /nfs/dbraw/zinc/62/03/78/823620378.db2.gz CIHIQDOGNQPPGP-CHWSQXEVSA-N 1 0 387.387 4.307 20 0 GIADRO Cc1nn(-c2cccc(F)c2)cc1C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000412002568 823620672 /nfs/dbraw/zinc/62/06/72/823620672.db2.gz USJIFWBEBWLUJC-IBGZPJMESA-N 1 0 398.526 4.048 20 0 GIADRO FC(F)COCC[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000190893821 823620761 /nfs/dbraw/zinc/62/07/61/823620761.db2.gz QDIUBUBOTNXFLG-UHFFFAOYSA-N 1 0 377.460 4.031 20 0 GIADRO OCC1([C@@H]([NH2+]Cc2cccc(Br)c2)c2ccccc2)CCOCC1 ZINC000412003730 823621098 /nfs/dbraw/zinc/62/10/98/823621098.db2.gz AHAHEAXNFNIHLG-IBGZPJMESA-N 1 0 390.321 4.069 20 0 GIADRO C[N@H+](CCCNC(=O)N[C@@H](c1cccc(F)c1)c1ccccn1)C1CCCCC1 ZINC000124731847 823621648 /nfs/dbraw/zinc/62/16/48/823621648.db2.gz BVQPAVILFRDWRN-QFIPXVFZSA-N 1 0 398.526 4.264 20 0 GIADRO CSc1ccc(OC[C@H](O)C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)cc1 ZINC000412007729 823621711 /nfs/dbraw/zinc/62/17/11/823621711.db2.gz DQJFOJUVCJNALJ-DENIHFKCSA-N 1 0 399.556 4.002 20 0 GIADRO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N[C@H]1CCSc2c(F)cccc21 ZINC000062005653 823621916 /nfs/dbraw/zinc/62/19/16/823621916.db2.gz KJRYRBGAECDYNE-XLIONFOSSA-N 1 0 399.535 4.326 20 0 GIADRO OCC1([C@@H]([NH2+]Cc2ccccc2Br)c2ccccc2)CCOCC1 ZINC000412010209 823622206 /nfs/dbraw/zinc/62/22/06/823622206.db2.gz PPIMJMIGWZUCHW-IBGZPJMESA-N 1 0 390.321 4.069 20 0 GIADRO CN(C)C(=O)c1cccc(C[NH2+][C@H](c2ccccc2)C2(CO)CCCCC2)c1 ZINC000412016371 823622794 /nfs/dbraw/zinc/62/27/94/823622794.db2.gz WNHQTEGMBHQFTQ-JOCHJYFZSA-N 1 0 380.532 4.162 20 0 GIADRO O=C(CC[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1)Nc1cc(F)cc(F)c1 ZINC000412015024 823622878 /nfs/dbraw/zinc/62/28/78/823622878.db2.gz RWLIIPCHKZUBOB-NRFANRHFSA-N 1 0 386.442 4.147 20 0 GIADRO Cc1c(F)cccc1NC(=O)CC[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000412016934 823623038 /nfs/dbraw/zinc/62/30/38/823623038.db2.gz WYZGYBIACOEGDH-JOCHJYFZSA-N 1 0 382.479 4.316 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1ccc(C(C)C)cc1)c1ccsc1 ZINC000062110250 823623281 /nfs/dbraw/zinc/62/32/81/823623281.db2.gz PEEKSILIDYUZCK-IBGZPJMESA-N 1 0 387.549 4.009 20 0 GIADRO COC1([C@H](C)[NH2+]CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)CCC1 ZINC000412021604 823623337 /nfs/dbraw/zinc/62/33/37/823623337.db2.gz MWNQCSHGWONPCD-GUYCJALGSA-N 1 0 385.335 4.204 20 0 GIADRO Cc1c([C@@H](C)[NH2+][C@H]2CCCN(CC(C)(C)C)C2=O)cnn1-c1ccc(F)cc1 ZINC000461367540 823623913 /nfs/dbraw/zinc/62/39/13/823623913.db2.gz CKZAQUTZWPOYSP-QRWLVFNGSA-N 1 0 386.515 4.008 20 0 GIADRO O=C(CCc1ccc(Cl)c(Cl)c1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000124761289 823624092 /nfs/dbraw/zinc/62/40/92/823624092.db2.gz WNDGYLHXQQBQEY-UHFFFAOYSA-N 1 0 392.330 4.102 20 0 GIADRO Cc1cc(F)c(Br)cc1NC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000190919240 823624571 /nfs/dbraw/zinc/62/45/71/823624571.db2.gz UVHXXIZLVICHLY-CQSZACIVSA-N 1 0 398.320 4.236 20 0 GIADRO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OCC2CC2)CC1 ZINC000412057796 823624753 /nfs/dbraw/zinc/62/47/53/823624753.db2.gz SBRFMLWWRFKWRE-IBGZPJMESA-N 1 0 376.928 4.106 20 0 GIADRO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(Br)s1 ZINC000062231454 823625246 /nfs/dbraw/zinc/62/52/46/823625246.db2.gz ZRPHFOFFFGYWLO-OAHLLOKOSA-N 1 0 393.350 4.153 20 0 GIADRO CCC(=O)Nc1ccc(Cl)c(NC(=O)N2CC[NH+](CCC(C)(C)C)CC2)c1 ZINC000124785314 823625924 /nfs/dbraw/zinc/62/59/24/823625924.db2.gz NBBSVGYBTFXFDX-UHFFFAOYSA-N 1 0 394.947 4.274 20 0 GIADRO Cc1cc(N2CCCC2)ccc1NC(=O)C[NH2+][C@@H]1C[C@H](OC(C)(C)C)C1(C)C ZINC000412079141 823626041 /nfs/dbraw/zinc/62/60/41/823626041.db2.gz PVXXSNXOPTZWQS-UXHICEINSA-N 1 0 387.568 4.106 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)c2cn(CCOC)c3ccccc23)c1 ZINC000062245704 823626074 /nfs/dbraw/zinc/62/60/74/823626074.db2.gz ZIQFSIUKAKALRL-UHFFFAOYSA-N 1 0 393.531 4.060 20 0 GIADRO Cn1cc(C[NH2+]Cc2ccccc2OCc2ccccc2)c(-c2cccnc2)n1 ZINC000062254859 823626628 /nfs/dbraw/zinc/62/66/28/823626628.db2.gz LSWWWIAQFAHLFV-UHFFFAOYSA-N 1 0 384.483 4.351 20 0 GIADRO CNC(=O)C1CCC([NH2+]Cc2cccc(OCc3ccccc3Cl)c2)CC1 ZINC000062259331 823626950 /nfs/dbraw/zinc/62/69/50/823626950.db2.gz NITWMRLJNGUCDG-UHFFFAOYSA-N 1 0 386.923 4.313 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)C1(c2ccc(F)cc2)CCCCC1 ZINC000062263963 823627047 /nfs/dbraw/zinc/62/70/47/823627047.db2.gz FOSMEZXNVONACM-UHFFFAOYSA-N 1 0 395.522 4.203 20 0 GIADRO O=C(N[C@H]1CCc2c1ccc(Cl)c2Cl)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412114092 823627313 /nfs/dbraw/zinc/62/73/13/823627313.db2.gz IWTSHJJLXXERPP-DYVFJYSZSA-N 1 0 399.387 4.314 20 0 GIADRO Cc1c(C[S@@](C)=O)cccc1NC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412130484 823628746 /nfs/dbraw/zinc/62/87/46/823628746.db2.gz KVSZSOLMGKFSBE-HHHXNRCGSA-N 1 0 384.545 4.112 20 0 GIADRO Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)c2ccccc12 ZINC000412148290 823630471 /nfs/dbraw/zinc/63/04/71/823630471.db2.gz OIRZTYTVGGNNTN-UHFFFAOYSA-N 1 0 388.511 4.035 20 0 GIADRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000062374054 823630594 /nfs/dbraw/zinc/63/05/94/823630594.db2.gz HMEMNWKKHXXBFR-UHFFFAOYSA-N 1 0 394.903 4.414 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]C[C@H](c2ccc(F)cc2)N(C)C)cc1Cn1cccn1 ZINC000124847945 823630630 /nfs/dbraw/zinc/63/06/30/823630630.db2.gz KPLXKPZKQMMKCS-VGOFRKELSA-N 1 0 396.510 4.033 20 0 GIADRO C[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000412151057 823630655 /nfs/dbraw/zinc/63/06/55/823630655.db2.gz YIDSSPZUVVRWGQ-AEFFLSMTSA-N 1 0 398.469 4.098 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]C[C@@H](c2ccc(F)cc2)N(C)C)cc1Cn1cccn1 ZINC000124847573 823630721 /nfs/dbraw/zinc/63/07/21/823630721.db2.gz KPLXKPZKQMMKCS-VGSWGCGISA-N 1 0 396.510 4.033 20 0 GIADRO CC[C@@H]1CN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC[C@H]1c1ccccc1 ZINC000412156282 823631302 /nfs/dbraw/zinc/63/13/02/823631302.db2.gz JTDFFQYMENSMDJ-BVYCBKJFSA-N 1 0 386.605 4.246 20 0 GIADRO CC(C)c1cc(C(=O)NC[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)no1 ZINC000124858276 823631560 /nfs/dbraw/zinc/63/15/60/823631560.db2.gz VDYHQTQRIJKFBB-SCLBCKFNSA-N 1 0 379.863 4.013 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000412160824 823631704 /nfs/dbraw/zinc/63/17/04/823631704.db2.gz UDEXWYSVIMJIEC-BVYCBKJFSA-N 1 0 382.935 4.424 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1C[C@H]1c1ccccc1OC ZINC000412165365 823632046 /nfs/dbraw/zinc/63/20/46/823632046.db2.gz VSTJHZILLVMSKH-AKIFATBCSA-N 1 0 392.543 4.169 20 0 GIADRO CC(C)Oc1ccc([C@H](CNC(=O)N2CC3(CCC3)[C@@H]2C2CC2)[NH+](C)C)cc1 ZINC000461419188 823632543 /nfs/dbraw/zinc/63/25/43/823632543.db2.gz OFLOHDJQLCBFHB-SFTDATJTSA-N 1 0 385.552 4.051 20 0 GIADRO Cc1ccc(CNC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)c(OC(C)(C)C)c1 ZINC000412176466 823632905 /nfs/dbraw/zinc/63/29/05/823632905.db2.gz QBGBRBVKRJJCNN-LJQANCHMSA-N 1 0 390.593 4.006 20 0 GIADRO COC(=O)C[C@@](C)([NH2+]Cc1ccc(SC(F)(F)F)cc1)c1ccncc1 ZINC000190973839 823632914 /nfs/dbraw/zinc/63/29/14/823632914.db2.gz OXXHOENGDBKOQZ-QGZVFWFLSA-N 1 0 384.423 4.262 20 0 GIADRO O=C([C@@H]1SCCc2sccc21)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461422033 823633248 /nfs/dbraw/zinc/63/32/48/823633248.db2.gz IGHDVJQTKKKYRJ-DBXWQHBBSA-N 1 0 398.597 4.059 20 0 GIADRO CC(C)OCc1ccc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000461422500 823633260 /nfs/dbraw/zinc/63/32/60/823633260.db2.gz CXGVZNIRIRZEQX-RPWUZVMVSA-N 1 0 392.543 4.206 20 0 GIADRO CCc1ccc(CCC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000461423435 823633498 /nfs/dbraw/zinc/63/34/98/823633498.db2.gz AKFTXPWUNQSIPV-RPWUZVMVSA-N 1 0 376.544 4.162 20 0 GIADRO O=C(N1CC[C@@H](C[NH+]2CCCCC2)C1)C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000461424616 823633753 /nfs/dbraw/zinc/63/37/53/823633753.db2.gz HSZWFFAMIDKCLE-KRWDZBQOSA-N 1 0 394.481 4.462 20 0 GIADRO O=C(CCc1ccc2[nH]ccc2c1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461424429 823633775 /nfs/dbraw/zinc/63/37/75/823633775.db2.gz GJSZYAUPYYGYRD-PKTZIBPZSA-N 1 0 387.527 4.081 20 0 GIADRO CC(C)(C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)c1ccc(F)cc1 ZINC000461425176 823633814 /nfs/dbraw/zinc/63/38/14/823633814.db2.gz CMQRUAMFAIEPEW-PMACEKPBSA-N 1 0 380.507 4.084 20 0 GIADRO CCOc1ccc(C#N)cc1NC(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000062410851 823633933 /nfs/dbraw/zinc/63/39/33/823633933.db2.gz UTONCUBALQUAFJ-UHFFFAOYSA-N 1 0 384.524 4.123 20 0 GIADRO O=C(NC1(c2c(Cl)cccc2Cl)CC1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412188507 823634040 /nfs/dbraw/zinc/63/40/40/823634040.db2.gz SRKABPLEZZJHEV-CQSZACIVSA-N 1 0 399.387 4.316 20 0 GIADRO Cc1ccc(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)c2ccccc12 ZINC000412197803 823634812 /nfs/dbraw/zinc/63/48/12/823634812.db2.gz TWSNCBQUHLPLBQ-UHFFFAOYSA-N 1 0 388.515 4.326 20 0 GIADRO CN(C(=O)C[C@@H](c1ccc(O)cc1)C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000412198702 823634974 /nfs/dbraw/zinc/63/49/74/823634974.db2.gz WWVVPJYHVCBYOF-FYYLOGMGSA-N 1 0 378.516 4.009 20 0 GIADRO COc1cc(C[NH2+]Cc2ccc(N(C)C3CCCCC3)cc2)cc2c1OCO2 ZINC000062424276 823635020 /nfs/dbraw/zinc/63/50/20/823635020.db2.gz GSUQKJGZINMYJT-UHFFFAOYSA-N 1 0 382.504 4.483 20 0 GIADRO CCC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2Oc2ccc(F)cc2Cl)C1 ZINC000461429158 823635102 /nfs/dbraw/zinc/63/51/02/823635102.db2.gz NGPNGOSULOCGKM-MRXNPFEDSA-N 1 0 376.859 4.372 20 0 GIADRO CC(C)[N@@H+]1CC[C@@H](CNCc2cccc(NC(=O)c3ccccc3Cl)c2)C1 ZINC000062427054 823635124 /nfs/dbraw/zinc/63/51/24/823635124.db2.gz RQFDPSSQPJFHFR-SFHVURJKSA-N 1 0 385.939 4.412 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)NCc1ccc2cc(OC)ccc2c1)c1ccco1 ZINC000062429228 823635268 /nfs/dbraw/zinc/63/52/68/823635268.db2.gz SBOLSGCRAFTDBL-OAQYLSRUSA-N 1 0 395.503 4.324 20 0 GIADRO COc1cc(C[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)c2ccccc2n1 ZINC000124900625 823635294 /nfs/dbraw/zinc/63/52/94/823635294.db2.gz KNUPLVHYKZKMFP-OAHLLOKOSA-N 1 0 377.444 4.051 20 0 GIADRO O=C(N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)C1(Cc2ccccc2F)CC1 ZINC000461430345 823635342 /nfs/dbraw/zinc/63/53/42/823635342.db2.gz PJKAYFNNBJHGDM-VXKWHMMOSA-N 1 0 392.518 4.129 20 0 GIADRO O=C(Cc1cccc(Cl)c1F)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461431171 823635464 /nfs/dbraw/zinc/63/54/64/823635464.db2.gz QWAPBHQBTHIDKP-OALUTQOASA-N 1 0 386.898 4.002 20 0 GIADRO O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N1CCC[C@H]1CCCc1ccccc1 ZINC000412207203 823635673 /nfs/dbraw/zinc/63/56/73/823635673.db2.gz NXHAAMXKZVQZFC-YADHBBJMSA-N 1 0 386.605 4.218 20 0 GIADRO C[C@H](Oc1ccccc1Cl)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461431880 823635962 /nfs/dbraw/zinc/63/59/62/823635962.db2.gz UECNJUPDJSUUHK-IHPCNDPISA-N 1 0 398.934 4.088 20 0 GIADRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1Oc1ccc(F)cc1Cl ZINC000461435476 823636763 /nfs/dbraw/zinc/63/67/63/823636763.db2.gz IZPPQIQVHATRCT-NVXWUHKLSA-N 1 0 376.859 4.276 20 0 GIADRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1Oc1ccc(F)cc1Cl ZINC000461435477 823636849 /nfs/dbraw/zinc/63/68/49/823636849.db2.gz IZPPQIQVHATRCT-RDJZCZTQSA-N 1 0 376.859 4.276 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)N1CC2C[C@@H]3CC1C[C@H](C2)C3)[NH+]1CCCC1 ZINC000062474823 823637056 /nfs/dbraw/zinc/63/70/56/823637056.db2.gz LYFWDKCKJMSNEZ-YUOXAOAISA-N 1 0 397.563 4.052 20 0 GIADRO Cc1cc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c(C)n1C(C)C ZINC000461438053 823637419 /nfs/dbraw/zinc/63/74/19/823637419.db2.gz JYEWPMPCYKUVHB-FGZHOGPDSA-N 1 0 379.548 4.280 20 0 GIADRO CC(C)[NH+]1CCC(NC(=O)N[C@@H](COCc2ccccc2)c2ccccc2)CC1 ZINC000124924828 823637428 /nfs/dbraw/zinc/63/74/28/823637428.db2.gz CYXYCBRAUAKMPT-QHCPKHFHSA-N 1 0 395.547 4.117 20 0 GIADRO C[C@H](C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)c1cccc(Cl)c1 ZINC000461439775 823637688 /nfs/dbraw/zinc/63/76/88/823637688.db2.gz UWRSVSBPEVWPFW-IOMROCGXSA-N 1 0 382.935 4.424 20 0 GIADRO COc1ccc(OC)c([C@@H](O)C[NH2+][C@@H](C)c2ccc(SCC(F)F)cc2)c1 ZINC000124927381 823637719 /nfs/dbraw/zinc/63/77/19/823637719.db2.gz WENLJLFWHWRORM-UGSOOPFHSA-N 1 0 397.487 4.445 20 0 GIADRO COc1ccc(OC)c([C@H](O)C[NH2+][C@H](C)c2ccc(SCC(F)F)cc2)c1 ZINC000124928094 823637807 /nfs/dbraw/zinc/63/78/07/823637807.db2.gz WENLJLFWHWRORM-FZKQIMNGSA-N 1 0 397.487 4.445 20 0 GIADRO Cc1nc(CC(C)C)c(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000461440101 823637867 /nfs/dbraw/zinc/63/78/67/823637867.db2.gz WSZLGMBCXWYJGV-WOJBJXKFSA-N 1 0 397.588 4.244 20 0 GIADRO O=C(Cc1ccc(F)cc1Cl)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461440978 823638058 /nfs/dbraw/zinc/63/80/58/823638058.db2.gz DFYZZPUCYLCDNF-MOPGFXCFSA-N 1 0 386.898 4.002 20 0 GIADRO C[C@H](Cc1ccco1)NC(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000062486444 823638190 /nfs/dbraw/zinc/63/81/90/823638190.db2.gz BIZXDPBKKUEVRK-OAHLLOKOSA-N 1 0 397.441 4.003 20 0 GIADRO C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000461442456 823638475 /nfs/dbraw/zinc/63/84/75/823638475.db2.gz JOMLOQICOLCQDQ-HUUCEWRRSA-N 1 0 385.335 4.095 20 0 GIADRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)N[C@H]1CCc2c1cccc2Cl ZINC000062500880 823638948 /nfs/dbraw/zinc/63/89/48/823638948.db2.gz DLMOPWJNYBGFQY-FQEVSTJZSA-N 1 0 389.902 4.240 20 0 GIADRO CCNC(=O)COc1cccc(C[NH2+][C@@H](C)c2ccc(SC(F)F)cc2)c1 ZINC000124941983 823639100 /nfs/dbraw/zinc/63/91/00/823639100.db2.gz NNRCSDLVRMTKER-AWEZNQCLSA-N 1 0 394.487 4.367 20 0 GIADRO O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000412242247 823639105 /nfs/dbraw/zinc/63/91/05/823639105.db2.gz CVQSAOVPJFEMNO-UTKZUKDTSA-N 1 0 390.568 4.139 20 0 GIADRO CCNC(=O)COc1cccc(C[NH2+][C@H]2CC3(CCCC3)Oc3ccccc32)c1 ZINC000124943475 823639109 /nfs/dbraw/zinc/63/91/09/823639109.db2.gz NDURWXFWHQVVCB-NRFANRHFSA-N 1 0 394.515 4.128 20 0 GIADRO C[C@H](CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)c1ccc(F)cc1 ZINC000461446326 823639195 /nfs/dbraw/zinc/63/91/95/823639195.db2.gz UKYMXPFOMDXDDC-QIJUGHKUSA-N 1 0 380.507 4.300 20 0 GIADRO C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000412251234 823639979 /nfs/dbraw/zinc/63/99/79/823639979.db2.gz NEIRGAPONWTWEI-GUMYABAYSA-N 1 0 382.935 4.470 20 0 GIADRO C=CCN(Cc1cccs1)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000062529253 823640271 /nfs/dbraw/zinc/64/02/71/823640271.db2.gz VCSCJIXBKYMXIW-UHFFFAOYSA-N 1 0 375.582 4.490 20 0 GIADRO O=C(c1cc(C2CCCCC2)n[nH]1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461450846 823640372 /nfs/dbraw/zinc/64/03/72/823640372.db2.gz RNBBSTCLTLDRCD-SFTDATJTSA-N 1 0 392.547 4.052 20 0 GIADRO CSc1ccc(C)c(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000461451771 823640401 /nfs/dbraw/zinc/64/04/01/823640401.db2.gz SSIRVFDFQSERAC-UXHICEINSA-N 1 0 380.557 4.311 20 0 GIADRO C[C@H](CCOc1ccccc1)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461455256 823641117 /nfs/dbraw/zinc/64/11/17/823641117.db2.gz LCXSKBCMAUAURE-PUHATCMVSA-N 1 0 392.543 4.072 20 0 GIADRO O=C(c1cccc(C[NH+]2CCCCC2)c1)N1CC[C@H](COc2ccccc2)C1 ZINC000412261977 823641220 /nfs/dbraw/zinc/64/12/20/823641220.db2.gz XSDGJJFJRUAOQP-NRFANRHFSA-N 1 0 378.516 4.214 20 0 GIADRO C[C@H](NC(=O)[C@H]1CC(C)(C)Oc2ccccc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000412263802 823641245 /nfs/dbraw/zinc/64/12/45/823641245.db2.gz ZXOMXIVLDHUQCY-DWLFOUALSA-N 1 0 392.543 4.358 20 0 GIADRO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)c2cccc(Cc3ccccc3)c2)C1 ZINC000412264999 823641418 /nfs/dbraw/zinc/64/14/18/823641418.db2.gz BWVVUEVFVMLCRP-XMMPIXPASA-N 1 0 399.538 4.267 20 0 GIADRO O=C([C@@H]1CCSc2ccccc21)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461456865 823641475 /nfs/dbraw/zinc/64/14/75/823641475.db2.gz QHCZBUDDLGISDA-KCZVDYSFSA-N 1 0 392.568 4.247 20 0 GIADRO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1c[nH]nc1-c1ccsc1 ZINC000461465917 823642929 /nfs/dbraw/zinc/64/29/29/823642929.db2.gz HORCWGLWZXWVIZ-SFHVURJKSA-N 1 0 394.544 4.170 20 0 GIADRO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCc2c(O)cccc21 ZINC000461467737 823643254 /nfs/dbraw/zinc/64/32/54/823643254.db2.gz VGHBJBWSELTMMY-NZQKXSOJSA-N 1 0 392.543 4.231 20 0 GIADRO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)C1(Oc2ccccc2F)CC1 ZINC000461469130 823643466 /nfs/dbraw/zinc/64/34/66/823643466.db2.gz HOSYBCQNWQSCSI-FQEVSTJZSA-N 1 0 396.506 4.156 20 0 GIADRO CCC[C@H](C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000461470806 823643655 /nfs/dbraw/zinc/64/36/55/823643655.db2.gz ZIUOJGBDZZHWEO-VXKWHMMOSA-N 1 0 379.548 4.384 20 0 GIADRO Cc1ccc2oc(C(=O)NC[C@@H]3CCCC[N@H+](Cc4ccccc4)C3)cc2n1 ZINC000461474366 823644003 /nfs/dbraw/zinc/64/40/03/823644003.db2.gz MVAHLPQLUMRJQC-IBGZPJMESA-N 1 0 377.488 4.168 20 0 GIADRO Cc1ccc([C@@H](C[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)N2CCCC2)cc1 ZINC000125006023 823644320 /nfs/dbraw/zinc/64/43/20/823644320.db2.gz CRLIIHXUSYJMTH-AUSIDOKSSA-N 1 0 393.531 4.439 20 0 GIADRO O=C(NC1CC(F)(c2cccc(Cl)c2)C1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412304302 823644729 /nfs/dbraw/zinc/64/47/29/823644729.db2.gz HEFVSSVRPZEMNF-QPIRBTGLSA-N 1 0 396.959 4.001 20 0 GIADRO C[C@@H]1CCC[C@H](OCc2cccc(NC(=S)NC3CC[NH+](C)CC3)c2)C1 ZINC000062700500 823645083 /nfs/dbraw/zinc/64/50/83/823645083.db2.gz PPXMSERVBJBUFC-UZLBHIALSA-N 1 0 375.582 4.163 20 0 GIADRO Clc1ccc(-c2nc3sccn3c2C[NH+]2CCC3(CC2)OCCO3)cc1 ZINC000125015908 823645243 /nfs/dbraw/zinc/64/52/43/823645243.db2.gz GRPDNBFEHPXLPZ-UHFFFAOYSA-N 1 0 389.908 4.055 20 0 GIADRO Cn1ccnc1[C@H](O)C1CC[NH+](CCCCc2cccc(C(F)(F)F)c2)CC1 ZINC000191078698 823645789 /nfs/dbraw/zinc/64/57/89/823645789.db2.gz HZNZTZDWPQIEHK-LJQANCHMSA-N 1 0 395.469 4.207 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)CCc2ccc(Br)cc2F)c1 ZINC000062879205 823646069 /nfs/dbraw/zinc/64/60/69/823646069.db2.gz AYCSUJCNAOZUAS-UHFFFAOYSA-N 1 0 379.273 4.221 20 0 GIADRO CC[C@H](C)c1nnc(N2CCC[C@@H]([NH+]3CCCC3)CC2)n1Cc1cccs1 ZINC000461489851 823647259 /nfs/dbraw/zinc/64/72/59/823647259.db2.gz OSWOBCGBBJMHTA-ZWKOTPCHSA-N 1 0 387.597 4.356 20 0 GIADRO COCC(C)(C)CC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000412332451 823647370 /nfs/dbraw/zinc/64/73/70/823647370.db2.gz PIBPRAYPJUOJQT-VZKPYBMVSA-N 1 0 392.971 4.433 20 0 GIADRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)c1sc(C)cc1Br)c1ccco1 ZINC000412336249 823647933 /nfs/dbraw/zinc/64/79/33/823647933.db2.gz OGZZNJBKPHNUIS-MFKMUULPSA-N 1 0 385.327 4.271 20 0 GIADRO CN(C)[C@@H](C(=O)Nc1ccc(Br)c(F)c1)c1cccc(Cl)c1 ZINC000461499878 823649278 /nfs/dbraw/zinc/64/92/78/823649278.db2.gz XGDUYYAJSWGVNN-OAHLLOKOSA-N 1 0 385.664 4.483 20 0 GIADRO Cc1cccc(NC(=O)[C@H](C)Nc2cccc(N3CC[NH+](C(C)C)CC3)c2)c1C ZINC000125062901 823649381 /nfs/dbraw/zinc/64/93/81/823649381.db2.gz ULCFSRDYQBYXBP-FQEVSTJZSA-N 1 0 394.563 4.273 20 0 GIADRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)c1cccn1Cc1ccccc1 ZINC000063080457 823650396 /nfs/dbraw/zinc/65/03/96/823650396.db2.gz DVEMFKARHHJPMR-UHFFFAOYSA-N 1 0 387.527 4.178 20 0 GIADRO Cc1cc(C)c(OCC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)c(C)c1 ZINC000063081261 823650555 /nfs/dbraw/zinc/65/05/55/823650555.db2.gz HMPNJDDPFJYXBF-UHFFFAOYSA-N 1 0 380.532 4.019 20 0 GIADRO O=C(Cc1ccc2c(c1)CCCC2)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000063081072 823650565 /nfs/dbraw/zinc/65/05/65/823650565.db2.gz WQENDUCKXRMYEX-UHFFFAOYSA-N 1 0 376.544 4.136 20 0 GIADRO COc1ccccc1[C@@H](C[NH2+][C@H](C)c1cnn(C(C)(C)C)c1C)N1CCCC1 ZINC000191113573 823650590 /nfs/dbraw/zinc/65/05/90/823650590.db2.gz FNELRZMBHWNMOR-DYESRHJHSA-N 1 0 384.568 4.443 20 0 GIADRO CC(C)Cc1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1Cc1cccs1 ZINC000461508615 823650997 /nfs/dbraw/zinc/65/09/97/823650997.db2.gz QLHBYOSRHDNTIA-UHFFFAOYSA-N 1 0 387.597 4.041 20 0 GIADRO CC[NH+](CC)CCSCC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1ccco1 ZINC000461509363 823651193 /nfs/dbraw/zinc/65/11/93/823651193.db2.gz AVIXJQGBAQTVFB-FQEVSTJZSA-N 1 0 399.560 4.341 20 0 GIADRO CC[C@@H](CNC(=S)NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000063144958 823652701 /nfs/dbraw/zinc/65/27/01/823652701.db2.gz JOUGPXMKMZTCDU-FQEVSTJZSA-N 1 0 381.589 4.309 20 0 GIADRO O=C(N[C@@H](Cc1ccccc1)c1ccccc1F)NC1CC[NH+](C2CC2)CC1 ZINC000125118547 823652880 /nfs/dbraw/zinc/65/28/80/823652880.db2.gz QYNLGWBCYYTOAX-QFIPXVFZSA-N 1 0 381.495 4.036 20 0 GIADRO C=CCN(Cc1ccccc1F)C(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000063150487 823653091 /nfs/dbraw/zinc/65/30/91/823653091.db2.gz KYZFENYPFNCXJT-UHFFFAOYSA-N 1 0 397.563 4.353 20 0 GIADRO CC(C)Oc1cccc(CNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000063149672 823653167 /nfs/dbraw/zinc/65/31/67/823653167.db2.gz SEMFHXCHCGBWFY-UHFFFAOYSA-N 1 0 397.588 4.103 20 0 GIADRO Cc1cc(F)ccc1[C@H]1CCCN1C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412401741 823653427 /nfs/dbraw/zinc/65/34/27/823653427.db2.gz HUHJTWDNUXKHKU-AZUAARDMSA-N 1 0 376.541 4.015 20 0 GIADRO O=C(NC[C@@H]1CCCC[C@H]1c1ccccc1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412406494 823653798 /nfs/dbraw/zinc/65/37/98/823653798.db2.gz YJIGJTASOSQEIK-FKBYEOEOSA-N 1 0 386.605 4.294 20 0 GIADRO COc1cccc(O[C@H](C)C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2Cl)c1 ZINC000125143866 823654659 /nfs/dbraw/zinc/65/46/59/823654659.db2.gz JLNBCWAFYCZQDK-CABCVRRESA-N 1 0 386.883 4.047 20 0 GIADRO CCc1ccc(Cl)c(CC)c1NC(=O)CCC[NH+]1[C@H](C)CC(O)C[C@H]1C ZINC000191169331 823655847 /nfs/dbraw/zinc/65/58/47/823655847.db2.gz RHADDVPUVUQMSB-HUUCEWRRSA-N 1 0 380.960 4.417 20 0 GIADRO Cc1c([C@@H](C)[NH2+][C@@H](C)c2ccc(OCC(=O)NC3CC3)cc2)cnn1C(C)(C)C ZINC000191184989 823657285 /nfs/dbraw/zinc/65/72/85/823657285.db2.gz ICTZDBUJACLLLJ-JKSUJKDBSA-N 1 0 398.551 4.016 20 0 GIADRO Cc1c([C@H](C)[NH2+]Cc2ccc(OCCOc3ccccc3)nc2)cnn1C(C)C ZINC000191189668 823657687 /nfs/dbraw/zinc/65/76/87/823657687.db2.gz LNFBWSNUOHXPNJ-SFHVURJKSA-N 1 0 394.519 4.476 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC000063263487 823658030 /nfs/dbraw/zinc/65/80/30/823658030.db2.gz ZGZNLWMGJOWALX-UHFFFAOYSA-N 1 0 396.575 4.240 20 0 GIADRO CC(=O)Nc1cccc(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)c1C ZINC000191195359 823658214 /nfs/dbraw/zinc/65/82/14/823658214.db2.gz CNCIHRGVUHXMIY-UHFFFAOYSA-N 1 0 393.531 4.259 20 0 GIADRO O=C(CSCc1ccc(Cl)cc1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000063273293 823658817 /nfs/dbraw/zinc/65/88/17/823658817.db2.gz MPUHRIRBFVIDPO-UHFFFAOYSA-N 1 0 380.985 4.344 20 0 GIADRO c1cc(OCC2CC2)ccc1C[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000191205526 823659042 /nfs/dbraw/zinc/65/90/42/823659042.db2.gz HTPFXYCDFWBUKZ-HXUWFJFHSA-N 1 0 380.536 4.173 20 0 GIADRO Cc1c([C@H](C)[NH2+]Cc2cc3c(c(Br)c2)OCO3)cnn1C(C)(C)C ZINC000191212454 823659624 /nfs/dbraw/zinc/65/96/24/823659624.db2.gz WZCBKCCQJOFDNG-NSHDSACASA-N 1 0 394.313 4.289 20 0 GIADRO CC[N@H+](CCCOc1ccc(S(C)(=O)=O)cc1)Cc1cccc(Cl)c1 ZINC000063286483 823660041 /nfs/dbraw/zinc/66/00/41/823660041.db2.gz LLUXRMCAEUAPBX-UHFFFAOYSA-N 1 0 381.925 4.035 20 0 GIADRO CC(C)(C)OC(=O)N1CCC(Nc2ccccc2C[NH+]2CCSCC2)CC1 ZINC000125226107 823660390 /nfs/dbraw/zinc/66/03/90/823660390.db2.gz XISBFORNDBEDJA-UHFFFAOYSA-N 1 0 391.581 4.047 20 0 GIADRO C[C@@H](CC(=O)OC[C@@H]1CCC[N@H+](Cc2cc(F)ccc2F)C1)c1ccncc1 ZINC000125230879 823660685 /nfs/dbraw/zinc/66/06/85/823660685.db2.gz PSSRNCYPBWKQMW-DLBZAZTESA-N 1 0 388.458 4.309 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CC2CCC3(CC2)OCCO3)cc1 ZINC000191223757 823660757 /nfs/dbraw/zinc/66/07/57/823660757.db2.gz JAHCCOSSNVLWOA-SFHVURJKSA-N 1 0 386.536 4.323 20 0 GIADRO Cc1cccn2cc(COc3ccc(C[NH2+]CC4(N(C)C)CCCC4)cc3)nc12 ZINC000063312965 823661822 /nfs/dbraw/zinc/66/18/22/823661822.db2.gz DEOIJECZLNEURP-UHFFFAOYSA-N 1 0 392.547 4.186 20 0 GIADRO CC(C)C[C@H]([NH2+]Cc1ccccc1CS(=O)(=O)NC(C)C)c1cccs1 ZINC000125244003 823661870 /nfs/dbraw/zinc/66/18/70/823661870.db2.gz BYJUMEIBBZDHHH-IBGZPJMESA-N 1 0 394.606 4.453 20 0 GIADRO C[NH+](C)Cc1ccc(NC(=O)C2(c3ccc(Br)cc3)CC2)c(F)c1 ZINC000412558457 823662198 /nfs/dbraw/zinc/66/21/98/823662198.db2.gz LEHKUJILIZVRMW-UHFFFAOYSA-N 1 0 391.284 4.320 20 0 GIADRO CCCc1c(C(=O)Nc2ccc(C[NH+](C)C)cc2F)cnn1-c1cccc(F)c1 ZINC000412558061 823662219 /nfs/dbraw/zinc/66/22/19/823662219.db2.gz KDHVZVOUDSUIMA-UHFFFAOYSA-N 1 0 398.457 4.417 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)Nc3ccc(Cl)cc3)CC2)cc1 ZINC000063321237 823662318 /nfs/dbraw/zinc/66/23/18/823662318.db2.gz ANVFHGNDPJNTFC-UHFFFAOYSA-N 1 0 387.911 4.382 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)[C@H](C)Sc1ccc(C)cc1 ZINC000412560577 823662359 /nfs/dbraw/zinc/66/23/59/823662359.db2.gz BUMJJFGMLKSYKB-INIZCTEOSA-N 1 0 388.533 4.063 20 0 GIADRO CC(C)C[NH+]1CCC(NC(=O)NCc2ccccc2Oc2ccccc2)CC1 ZINC000063322477 823662528 /nfs/dbraw/zinc/66/25/28/823662528.db2.gz FGYDBUBSDZOWBN-UHFFFAOYSA-N 1 0 381.520 4.399 20 0 GIADRO C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CCn3c(cnc3C3CCCCC3)C2)c(F)c1 ZINC000412561753 823662552 /nfs/dbraw/zinc/66/25/52/823662552.db2.gz VBGSBFZWCGZXFU-GOSISDBHSA-N 1 0 398.526 4.333 20 0 GIADRO CCOc1cccc([C@@H](C)NC(=O)NCc2ccccc2C[N@H+](C)C(C)C)c1 ZINC000063323237 823662665 /nfs/dbraw/zinc/66/26/65/823662665.db2.gz HOWXLEXMCLTVKU-GOSISDBHSA-N 1 0 383.536 4.486 20 0 GIADRO CCOc1cccc([C@@H](C)NC(=O)NCc2ccc(C[NH+](CC)CC)cc2)c1 ZINC000063323728 823662844 /nfs/dbraw/zinc/66/28/44/823662844.db2.gz VKHKIUBKNDSZHR-GOSISDBHSA-N 1 0 383.536 4.488 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)Cc1ccc(Cl)cc1Cl ZINC000412567576 823663118 /nfs/dbraw/zinc/66/31/18/823663118.db2.gz ZIMWLONJSYPHSK-UHFFFAOYSA-N 1 0 397.302 4.124 20 0 GIADRO CC(C)OCc1ccccc1CNC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000063331710 823663362 /nfs/dbraw/zinc/66/33/62/823663362.db2.gz IQBZDLBJHRGQBL-UHFFFAOYSA-N 1 0 387.568 4.065 20 0 GIADRO C[C@@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)C1([NH+]2CCOCC2)CCCC1 ZINC000461579448 823663831 /nfs/dbraw/zinc/66/38/31/823663831.db2.gz QMVVNYXKGWPWMG-HXUWFJFHSA-N 1 0 392.543 4.046 20 0 GIADRO CC(=O)Nc1cc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)ccc1Cl ZINC000063337778 823664301 /nfs/dbraw/zinc/66/43/01/823664301.db2.gz IZQUOGSJICFHPR-UHFFFAOYSA-N 1 0 385.895 4.149 20 0 GIADRO Cc1ccc(-n2cccn2)cc1NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000191260919 823664630 /nfs/dbraw/zinc/66/46/30/823664630.db2.gz XOZSWZKNGKSXRV-FQEVSTJZSA-N 1 0 393.491 4.122 20 0 GIADRO C[C@H](NC(=O)NC1CCC(C[NH+](C)C)CC1)c1ccc(-c2cccnc2)cc1 ZINC000125283113 823664760 /nfs/dbraw/zinc/66/47/60/823664760.db2.gz VUPAAQPZUDDZIS-LYGNXSNRSA-N 1 0 380.536 4.229 20 0 GIADRO Cc1ccc(C[C@@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)c2ccccn2)cc1 ZINC000125292923 823665627 /nfs/dbraw/zinc/66/56/27/823665627.db2.gz PGHLAAYTXFIASS-YDPRHXJPSA-N 1 0 394.563 4.093 20 0 GIADRO O=C(Nc1ccccc1)NC1CC[NH+](Cc2ccc(OCC3CC3)cc2)CC1 ZINC000191272325 823665953 /nfs/dbraw/zinc/66/59/53/823665953.db2.gz NCHJEZSGDAIYPN-UHFFFAOYSA-N 1 0 379.504 4.262 20 0 GIADRO CCOc1ccc(NC(=O)NCC2CC[NH+](Cc3ccc(OC)cc3)CC2)cc1 ZINC000063388470 823666291 /nfs/dbraw/zinc/66/62/91/823666291.db2.gz HEWOXKGNDWYYJA-UHFFFAOYSA-N 1 0 397.519 4.128 20 0 GIADRO Cc1ccc(-n2cccn2)cc1NC(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000191275992 823666427 /nfs/dbraw/zinc/66/64/27/823666427.db2.gz KGVRBLKACPAQPX-UHFFFAOYSA-N 1 0 391.519 4.343 20 0 GIADRO CN(C)c1c(Cl)cccc1NC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000063391958 823667112 /nfs/dbraw/zinc/66/71/12/823667112.db2.gz KLKXZTHBCQVVCT-UHFFFAOYSA-N 1 0 378.948 4.182 20 0 GIADRO CC[S@](=O)[C@H]1CCC[C@H]([NH2+]Cc2cc(Br)c(Cl)s2)C1 ZINC000191293480 823668348 /nfs/dbraw/zinc/66/83/48/823668348.db2.gz BSGCXYOTVZHISW-KKRWKGTOSA-N 1 0 384.792 4.333 20 0 GIADRO C[C@H](CCNC(=O)N[C@H]1CCO[C@H](c2ccccc2)C1)[N@H+](C)Cc1ccccc1 ZINC000125360524 823670472 /nfs/dbraw/zinc/67/04/72/823670472.db2.gz VXIUCAQPOCVHDV-OIBXWCBGSA-N 1 0 395.547 4.117 20 0 GIADRO CCN(CCC[NH+](C)C)C(=O)Nc1ccc(Oc2ccccc2OC)c(F)c1 ZINC000191317541 823670940 /nfs/dbraw/zinc/67/09/40/823670940.db2.gz LIIXPWPCPKKDOT-UHFFFAOYSA-N 1 0 389.471 4.432 20 0 GIADRO Fc1ccc(C2(NC(=S)NC3CC[NH+](Cc4ccccc4)CC3)CCC2)cc1 ZINC000063438256 823671256 /nfs/dbraw/zinc/67/12/56/823671256.db2.gz CLWQJFRXMPMWCB-UHFFFAOYSA-N 1 0 397.563 4.334 20 0 GIADRO COc1ccc2c(C[NH2+][C@@H](C)c3ccc(OC(F)F)cc3)cc(=O)oc2c1 ZINC000125385401 823672270 /nfs/dbraw/zinc/67/22/70/823672270.db2.gz IRKDJEQRONZFHV-LBPRGKRZSA-N 1 0 375.371 4.254 20 0 GIADRO CC[C@@H](NC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1OC ZINC000063464369 823673218 /nfs/dbraw/zinc/67/32/18/823673218.db2.gz NXZIZAKEPVRQPN-IFMALSPDSA-N 1 0 395.547 4.358 20 0 GIADRO Cc1ccc(SCCNC(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000063463995 823673230 /nfs/dbraw/zinc/67/32/30/823673230.db2.gz XBNDRAVKRUEZGQ-NRFANRHFSA-N 1 0 397.588 4.299 20 0 GIADRO CCc1cc(O)ccc1NC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000191338863 823673812 /nfs/dbraw/zinc/67/38/12/823673812.db2.gz BXISZJAZUXMTKA-UHFFFAOYSA-N 1 0 382.508 4.049 20 0 GIADRO Cc1noc(C)c1[C@@H](C)CC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000125412025 823674380 /nfs/dbraw/zinc/67/43/80/823674380.db2.gz RYHSTFVHYGLEPR-AWEZNQCLSA-N 1 0 389.927 4.219 20 0 GIADRO CC(C)Oc1cccc(CN(C)C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)c1 ZINC000125414152 823674399 /nfs/dbraw/zinc/67/43/99/823674399.db2.gz NSNGMXRBZXCFFY-UHFFFAOYSA-N 1 0 387.499 4.016 20 0 GIADRO Cc1nc(CSc2ccc(C(=O)NC[C@H]3CC[N@@H+](C(C)C)C3)cc2)cs1 ZINC000063490102 823675712 /nfs/dbraw/zinc/67/57/12/823675712.db2.gz AUIYMWVKIWHEOF-MRXNPFEDSA-N 1 0 389.590 4.204 20 0 GIADRO COc1ccccc1/C=C(/C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1)c1ccccc1 ZINC000063490053 823675747 /nfs/dbraw/zinc/67/57/47/823675747.db2.gz DOWOFTNPYLYQLE-QTCOBDOFSA-N 1 0 378.516 4.082 20 0 GIADRO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[NH+]1CCC(OC2CCCCC2)CC1 ZINC000125437560 823676179 /nfs/dbraw/zinc/67/61/79/823676179.db2.gz XZMTYXIEWRABDW-INIZCTEOSA-N 1 0 394.506 4.298 20 0 GIADRO COc1ccc(OC)c(NC(=O)[C@H](C)[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)c1 ZINC000191361272 823676441 /nfs/dbraw/zinc/67/64/41/823676441.db2.gz WJOQDOBXTOBFGH-HQRMLTQVSA-N 1 0 382.504 4.032 20 0 GIADRO COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000191362076 823676619 /nfs/dbraw/zinc/67/66/19/823676619.db2.gz VNTFQWKKXSHRPZ-KBPBESRZSA-N 1 0 395.459 4.078 20 0 GIADRO CC[C@@H](C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1)C1CCC(C)CC1 ZINC000461660062 823676644 /nfs/dbraw/zinc/67/66/44/823676644.db2.gz MLLZTIKIZGGORQ-PSGUAHCZSA-N 1 0 386.580 4.112 20 0 GIADRO S=c1n(CN2CCC([NH+]3CCCCC3)CC2)nc(C2CC2)n1-c1ccccc1 ZINC000063506877 823676914 /nfs/dbraw/zinc/67/69/14/823676914.db2.gz UZYWKDBTXGAIRN-UHFFFAOYSA-N 1 0 397.592 4.188 20 0 GIADRO CCC1(CC)[C@H]([NH2+]CC(=O)Nc2c(Cl)cccc2C(F)(F)F)C[C@@H]1OC ZINC000191370703 823677672 /nfs/dbraw/zinc/67/76/72/823677672.db2.gz OAVAFPMVGNZJPT-KGLIPLIRSA-N 1 0 392.849 4.481 20 0 GIADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)COc2ccc(-c3ccccc3)cc2Cl)C1 ZINC000063530367 823677816 /nfs/dbraw/zinc/67/78/16/823677816.db2.gz ZQKVBDVQRWXXAT-KRWDZBQOSA-N 1 0 386.923 4.232 20 0 GIADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@H]1c2ccccc2O[C@H]1C ZINC000461668036 823678013 /nfs/dbraw/zinc/67/80/13/823678013.db2.gz UWJAMRLXBDOUMF-OXJNMPFZSA-N 1 0 387.549 4.124 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccc(OC(C)C)cc2)cc1 ZINC000125464643 823678248 /nfs/dbraw/zinc/67/82/48/823678248.db2.gz VMRTXJKZVKTJKR-GAJHUEQPSA-N 1 0 379.504 4.352 20 0 GIADRO CCO[C@@H]1C[C@@H](O)C12CCN(c1cc[nH+]c3cc(C(F)(F)F)ccc31)CC2 ZINC000125465356 823678374 /nfs/dbraw/zinc/67/83/74/823678374.db2.gz RGKHGFHYABNNOE-QZTJIDSGSA-N 1 0 380.410 4.010 20 0 GIADRO O[C@@H](C[NH2+]Cc1csc2ccccc12)COc1cccc(C(F)(F)F)c1 ZINC000063548178 823678779 /nfs/dbraw/zinc/67/87/79/823678779.db2.gz DYOJEMUOWDBWEB-HNNXBMFYSA-N 1 0 381.419 4.450 20 0 GIADRO COc1ccc(Cl)cc1C1(C[NH2+]Cc2cc(F)ccc2F)CCOCC1 ZINC000063551988 823679049 /nfs/dbraw/zinc/67/90/49/823679049.db2.gz BSXVSGVWVXTMSN-UHFFFAOYSA-N 1 0 381.850 4.465 20 0 GIADRO Cc1ccc([C@@H](OC[C@@H](O)C[N@@H+](C(C)C)C2CCOCC2)c2ccccc2)cc1 ZINC000125491166 823680613 /nfs/dbraw/zinc/68/06/13/823680613.db2.gz YVQSYQOJXWCVRV-DQEYMECFSA-N 1 0 397.559 4.351 20 0 GIADRO c1ccc(Oc2ncccc2-c2noc([C@H]3CCC[N@@H+]3C3CCOCC3)n2)cc1 ZINC000125507138 823681578 /nfs/dbraw/zinc/68/15/78/823681578.db2.gz AQCKZVYDIWGDCX-LJQANCHMSA-N 1 0 392.459 4.240 20 0 GIADRO Cc1ccc(CCCCC(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)cc1 ZINC000063599126 823682285 /nfs/dbraw/zinc/68/22/85/823682285.db2.gz ALSFXSFYTWLQLN-UHFFFAOYSA-N 1 0 379.548 4.094 20 0 GIADRO c1cn(-c2ccccc2)c(CNc2ccc(CC[NH+]3CCSCC3)cc2)n1 ZINC000191417887 823682941 /nfs/dbraw/zinc/68/29/41/823682941.db2.gz OIRKFJCUXGMYOJ-UHFFFAOYSA-N 1 0 378.545 4.076 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)Nc2ccc([C@H](C)C(=O)OC)cc2)cc1)C1CC1 ZINC000412803711 823684194 /nfs/dbraw/zinc/68/41/94/823684194.db2.gz DTGUBCWYFGNRSX-INIZCTEOSA-N 1 0 380.488 4.200 20 0 GIADRO CC1CC[NH+](Cc2ccccc2CNC(=O)CNc2ccccc2Cl)CC1 ZINC000063645531 823686385 /nfs/dbraw/zinc/68/63/85/823686385.db2.gz FUHYOOZOHQTNPC-UHFFFAOYSA-N 1 0 385.939 4.300 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(Br)o1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000191456369 823687450 /nfs/dbraw/zinc/68/74/50/823687450.db2.gz SOJUONMRTJVVMG-LIRRHRJNSA-N 1 0 394.309 4.457 20 0 GIADRO CCCn1nc(C)c(C(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)c1C ZINC000125585283 823687556 /nfs/dbraw/zinc/68/75/56/823687556.db2.gz IQLJOAMJDHDSPJ-UHFFFAOYSA-N 1 0 382.552 4.072 20 0 GIADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)CCSc2ccccc2Br)C1 ZINC000063693133 823689792 /nfs/dbraw/zinc/68/97/92/823689792.db2.gz YGQNEDAXNRGUCK-OAHLLOKOSA-N 1 0 399.398 4.168 20 0 GIADRO CCCn1ccnc1CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC000191482570 823689794 /nfs/dbraw/zinc/68/97/94/823689794.db2.gz IPHNJAATMCSLKC-SFHVURJKSA-N 1 0 378.520 4.338 20 0 GIADRO COc1cccc([C@@H]2[C@H]([NH2+][C@@H](C)c3cnn(C(C)C)c3C)CCN2C2CC2)c1 ZINC000191487733 823690376 /nfs/dbraw/zinc/69/03/76/823690376.db2.gz CSMQUFJBDBZXFN-PBNUPURSSA-N 1 0 382.552 4.410 20 0 GIADRO Cc1ccc(CC[N@H+](Cc2ccco2)Cc2cc(=O)n3c(C)cccc3n2)cc1 ZINC000461744238 823690733 /nfs/dbraw/zinc/69/07/33/823690733.db2.gz DUFSZPLUAPKFQU-UHFFFAOYSA-N 1 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4.030 20 0 GIADRO CC(C)(C)[N@@H+]1CCCN(C(=O)CCSc2nc3ccccc3s2)CC1 ZINC000063724849 823691940 /nfs/dbraw/zinc/69/19/40/823691940.db2.gz XRTQDNDXZYGJRZ-UHFFFAOYSA-N 1 0 377.579 4.111 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1cccnc1SC(F)(F)F ZINC000063729323 823692323 /nfs/dbraw/zinc/69/23/23/823692323.db2.gz MLNPRWBWROLQRE-UHFFFAOYSA-N 1 0 395.450 4.219 20 0 GIADRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1cc(Cl)c3c(c1)OCCO3)CCS2 ZINC000191502347 823692356 /nfs/dbraw/zinc/69/23/56/823692356.db2.gz ZQTDJBWNWDLFSA-INIZCTEOSA-N 1 0 377.893 4.447 20 0 GIADRO Cc1csc(SCc2ccc(C(=O)NCCC[N@@H+](C)C(C)C)cc2)n1 ZINC000063738460 823692785 /nfs/dbraw/zinc/69/27/85/823692785.db2.gz XBNBRONGAHOLCI-UHFFFAOYSA-N 1 0 377.579 4.204 20 0 GIADRO c1cc2c(ncnc2N2CC[NH+](Cc3cccc(-c4cccnc4)c3)CC2)s1 ZINC000125644713 823692986 /nfs/dbraw/zinc/69/29/86/823692986.db2.gz FWCJIOJIBYAALF-UHFFFAOYSA-N 1 0 387.512 4.076 20 0 GIADRO OC1(C[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)CCCCC1 ZINC000191506829 823693051 /nfs/dbraw/zinc/69/30/51/823693051.db2.gz OYDKXJVSIMGPNG-GOSISDBHSA-N 1 0 382.342 4.202 20 0 GIADRO COc1ccc2c(c1)[C@@H]([NH2+]C1CCN(C(=O)c3ccc(C)cc3)CC1)CCS2 ZINC000191508403 823693244 /nfs/dbraw/zinc/69/32/44/823693244.db2.gz SMNHGNONEBVASG-NRFANRHFSA-N 1 0 396.556 4.435 20 0 GIADRO O=C(c1ccc(N2CCCCCC2)nc1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000063745596 823693283 /nfs/dbraw/zinc/69/32/83/823693283.db2.gz KOPUQQPXRAKBIV-UHFFFAOYSA-N 1 0 398.595 4.190 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3cccc(F)c3)C2)cc1NC(C)=O ZINC000125652323 823693714 /nfs/dbraw/zinc/69/37/14/823693714.db2.gz ZREIYMBERFVAFF-DNVCBOLYSA-N 1 0 385.483 4.112 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1cc2ccc(Br)cc2[nH]1 ZINC000063758083 823693786 /nfs/dbraw/zinc/69/37/86/823693786.db2.gz PYYKLCUTIVAINV-AWEZNQCLSA-N 1 0 392.341 4.315 20 0 GIADRO O=C(C[N@H+](CCc1ccccc1)C1CCCC1)Nc1ccc2c(c1)OCCCO2 ZINC000063754848 823693803 /nfs/dbraw/zinc/69/38/03/823693803.db2.gz FEMUKCHFXWWEBS-UHFFFAOYSA-N 1 0 394.515 4.274 20 0 GIADRO C[C@H](CN[C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1)C[NH+]1CCCCC1 ZINC000125653684 823693864 /nfs/dbraw/zinc/69/38/64/823693864.db2.gz CUFPIXVCUXGMHV-RTBURBONSA-N 1 0 392.609 4.176 20 0 GIADRO O=c1[nH]c(CC[N@H+]2CC=C(c3cccc4ccccc43)CC2)nc2ccccc21 ZINC000063762333 823693972 /nfs/dbraw/zinc/69/39/72/823693972.db2.gz NLXDYQDCIVQOJN-UHFFFAOYSA-N 1 0 381.479 4.408 20 0 GIADRO CN(CC[N@H+](C)C1CCCCC1)C(=O)CCCc1ncc(-c2ccccc2)o1 ZINC000063771307 823694466 /nfs/dbraw/zinc/69/44/66/823694466.db2.gz PHKSTCLXWRMEHT-UHFFFAOYSA-N 1 0 383.536 4.387 20 0 GIADRO O=C(Nc1ccc(N2CCCC2)c(F)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000063781142 823695401 /nfs/dbraw/zinc/69/54/01/823695401.db2.gz XSTMHULWOUQUDJ-UHFFFAOYSA-N 1 0 381.495 4.277 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1ccc(SCC(F)F)cc1 ZINC000125676386 823695625 /nfs/dbraw/zinc/69/56/25/823695625.db2.gz JLMGDGBEGGDXOS-CQSZACIVSA-N 1 0 399.528 4.439 20 0 GIADRO COc1ccc2c(c1)[C@@H]([NH2+]CCCC(=O)N1Cc3ccccc3C1)CCS2 ZINC000191530363 823696116 /nfs/dbraw/zinc/69/61/16/823696116.db2.gz JMCGKLNFAKCZIE-FQEVSTJZSA-N 1 0 382.529 4.144 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(C)nc2-n2cc(Cl)cn2)cc1OC ZINC000191530749 823696130 /nfs/dbraw/zinc/69/61/30/823696130.db2.gz CKMSDJSQSUEYPM-CQSZACIVSA-N 1 0 386.883 4.097 20 0 GIADRO COc1ccc(C(C)(C)CNC(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc1 ZINC000063789264 823696219 /nfs/dbraw/zinc/69/62/19/823696219.db2.gz MWKUHHFNWMYKIB-RXVVDRJESA-N 1 0 395.547 4.108 20 0 GIADRO COCCC1(C[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)CC1 ZINC000191535439 823696938 /nfs/dbraw/zinc/69/69/38/823696938.db2.gz SNASUKRTRUJDKD-GOSISDBHSA-N 1 0 382.342 4.323 20 0 GIADRO CCC(CC)(CO)C[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000191537406 823697344 /nfs/dbraw/zinc/69/73/44/823697344.db2.gz ZHXWIBLUSYIGNX-GOSISDBHSA-N 1 0 384.358 4.305 20 0 GIADRO FC(F)(F)CN1CCC[C@H]1c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000461800439 823697360 /nfs/dbraw/zinc/69/73/60/823697360.db2.gz IDWFCXDBNKYPNJ-KRWDZBQOSA-N 1 0 394.441 4.422 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1ccccc1C(=O)c1cccs1)C1CCCCC1 ZINC000063804330 823698282 /nfs/dbraw/zinc/69/82/82/823698282.db2.gz MHRJSHDAWREAEG-LJQANCHMSA-N 1 0 384.545 4.219 20 0 GIADRO CN1CC[NH+](CCCSc2nc(-c3cccs3)nc3ccccc32)CC1 ZINC000412989519 823698343 /nfs/dbraw/zinc/69/83/43/823698343.db2.gz ZWDISPFRHKEGQL-UHFFFAOYSA-N 1 0 384.574 4.088 20 0 GIADRO Cn1c(SCc2ccc(C[NH+]3CCCCC3)cc2)nnc1-c1ccccn1 ZINC000413000685 823699402 /nfs/dbraw/zinc/69/94/02/823699402.db2.gz OKOKGPPZUHZNKR-UHFFFAOYSA-N 1 0 379.533 4.155 20 0 GIADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@H](Oc2ccccc2)c2ccccc2)C1 ZINC000063823029 823699748 /nfs/dbraw/zinc/69/97/48/823699748.db2.gz CWZKKUFKZYEAIL-NFBKMPQASA-N 1 0 380.532 4.435 20 0 GIADRO CCOC(=O)c1csc(CC[NH2+][C@@H](C)c2ccccc2OC(F)(F)F)n1 ZINC000191561116 823699939 /nfs/dbraw/zinc/69/99/39/823699939.db2.gz ZQNQUVGOGVLTEB-NSHDSACASA-N 1 0 388.411 4.112 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2[nH]c3ccccc3c2Br)C1 ZINC000063831281 823700243 /nfs/dbraw/zinc/70/02/43/823700243.db2.gz HPIZLQDPIYQGOC-OKILXGFUSA-N 1 0 392.341 4.028 20 0 GIADRO C[N@H+](Cc1ccc(F)c2cccnc12)[C@@H](CO)c1cccc(Br)c1 ZINC000125730672 823701233 /nfs/dbraw/zinc/70/12/33/823701233.db2.gz GGQZQBAJLOBAIR-SFHVURJKSA-N 1 0 389.268 4.302 20 0 GIADRO C[C@H](NC(=O)N1CCC(CCC[NH+](C)C)CC1)c1cccc(N2CCCC2)c1 ZINC000163319662 823701474 /nfs/dbraw/zinc/70/14/74/823701474.db2.gz HETJSANWEGYTDY-IBGZPJMESA-N 1 0 386.584 4.111 20 0 GIADRO CC[N@@H+]1CCC[C@H](CNC(=O)C2(c3ccc(Br)cc3)CCCC2)C1 ZINC000063852829 823702540 /nfs/dbraw/zinc/70/25/40/823702540.db2.gz FNYZSICKCBJTQX-MRXNPFEDSA-N 1 0 393.369 4.109 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)Nc2cc(-c3ccccc3OC)[nH]n2)cc1 ZINC000063864776 823703568 /nfs/dbraw/zinc/70/35/68/823703568.db2.gz BQYQUZIFNKMFFT-UHFFFAOYSA-N 1 0 378.476 4.179 20 0 GIADRO Cc1ccc([C@@H](C[NH2+][C@H](C)c2ccc(Br)cn2)N2CCCC2)o1 ZINC000574340212 823704752 /nfs/dbraw/zinc/70/47/52/823704752.db2.gz MMFQYIBAQPWFOJ-RHSMWYFYSA-N 1 0 378.314 4.233 20 0 GIADRO Cc1ccc([C@@H](C[NH2+][C@@H](C)c2ccc(Br)cn2)N2CCCC2)o1 ZINC000574340213 823704795 /nfs/dbraw/zinc/70/47/95/823704795.db2.gz MMFQYIBAQPWFOJ-WMLDXEAASA-N 1 0 378.314 4.233 20 0 GIADRO CC(C)COc1ccc([C@@H](C)[NH2+]Cc2ccc(CS(C)(=O)=O)cc2)cc1 ZINC000125766353 823706008 /nfs/dbraw/zinc/70/60/08/823706008.db2.gz SDKSUXIRTJFTGK-QGZVFWFLSA-N 1 0 375.534 4.117 20 0 GIADRO COc1cccc(C(=O)Nc2cc(C[NH+]3CCCC3)ccc2C)c1OC(F)F ZINC000163408242 823707164 /nfs/dbraw/zinc/70/71/64/823707164.db2.gz CGTOZFMYWLYCGZ-UHFFFAOYSA-N 1 0 390.430 4.453 20 0 GIADRO C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)C[C@H]([NH3+])c2ccccc2)cc1Cl ZINC000163423673 823708125 /nfs/dbraw/zinc/70/81/25/823708125.db2.gz WJXAUGDWSXSBBO-YWZLYKJASA-N 1 0 399.922 4.383 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000413117100 823709905 /nfs/dbraw/zinc/70/99/05/823709905.db2.gz XDDRHNAGBYQLJB-UNMCSNQZSA-N 1 0 399.579 4.204 20 0 GIADRO OCC[C@]1(C[NH2+][C@H](Cc2ccc(F)cc2)c2ccccc2Cl)CCOC1 ZINC000125793009 823712010 /nfs/dbraw/zinc/71/20/10/823712010.db2.gz FKEIDURDSOVBMP-NHCUHLMSSA-N 1 0 377.887 4.142 20 0 GIADRO NC(=O)CC1CC[NH+](Cc2ccccc2Oc2ccc(F)cc2Cl)CC1 ZINC000461846410 823713521 /nfs/dbraw/zinc/71/35/21/823713521.db2.gz WQPZIRAHVBIGLG-UHFFFAOYSA-N 1 0 376.859 4.359 20 0 GIADRO CC(C)C[C@@H](CNC(=O)N(C)Cc1cccc(O)c1)[NH2+][C@H](C)c1ccccc1 ZINC000574376976 823713577 /nfs/dbraw/zinc/71/35/77/823713577.db2.gz SQSPZAQFTMAWFN-NQIIRXRSSA-N 1 0 383.536 4.299 20 0 GIADRO CC(C)(C)C[C@H]1CCN(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)C1(C)C ZINC000413137518 823713586 /nfs/dbraw/zinc/71/35/86/823713586.db2.gz LUSBCRSWLUDMNL-LJQANCHMSA-N 1 0 386.584 4.292 20 0 GIADRO O=C(N[C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1)NC1CC[NH+](CC2CC2)CC1 ZINC000413137443 823713606 /nfs/dbraw/zinc/71/36/06/823713606.db2.gz LQMMRCCBSXFUPL-YLJYHZDGSA-N 1 0 375.944 4.150 20 0 GIADRO O=C(N[C@H]1CC[C@@H](c2ccc(Cl)cc2)C1)NC1CC[NH+](CC2CC2)CC1 ZINC000413137441 823713688 /nfs/dbraw/zinc/71/36/88/823713688.db2.gz LQMMRCCBSXFUPL-XLIONFOSSA-N 1 0 375.944 4.150 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)COCc1ccccc1Cl)c1ccc(OC(F)F)cc1 ZINC000125800229 823713756 /nfs/dbraw/zinc/71/37/56/823713756.db2.gz NVHOPAXMZJBHDF-CZUORRHYSA-N 1 0 385.838 4.170 20 0 GIADRO O=C(C[C@H]1CCC[NH2+]1)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000163477187 823713844 /nfs/dbraw/zinc/71/38/44/823713844.db2.gz GMTYUODVXFSJGN-OAHLLOKOSA-N 1 0 391.393 4.038 20 0 GIADRO Cc1c([C@@H](C)[NH2+]C2CCN(c3ccc(C)cn3)CC2)cnn1-c1ccc(F)cc1 ZINC000163477352 823713932 /nfs/dbraw/zinc/71/39/32/823713932.db2.gz LIYJJUCXQAWGNO-QGZVFWFLSA-N 1 0 393.510 4.343 20 0 GIADRO Brc1ccc2c(c1)[C@@H]([NH2+]CCCOC[C@H]1CCCO1)CCS2 ZINC000163508334 823716933 /nfs/dbraw/zinc/71/69/33/823716933.db2.gz UGZTYPJUSNJTGD-ZBFHGGJFSA-N 1 0 386.355 4.161 20 0 GIADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC3(CCOCC3)[C@@H]2c2ccccc2)C1 ZINC000413157684 823717502 /nfs/dbraw/zinc/71/75/02/823717502.db2.gz AAIWUYPGDQFASK-CTNGQTDRSA-N 1 0 399.579 4.060 20 0 GIADRO CCCn1nc(C)c(C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)c1C ZINC000163523691 823717912 /nfs/dbraw/zinc/71/79/12/823717912.db2.gz HJOMVAVWOPKGSU-UHFFFAOYSA-N 1 0 382.552 4.072 20 0 GIADRO COc1cc(Br)ccc1[C@@H](C)[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000191627864 823718013 /nfs/dbraw/zinc/71/80/13/823718013.db2.gz CAKZFMWMBFLUFB-LLVKDONJSA-N 1 0 395.263 4.135 20 0 GIADRO CCOc1ccccc1[C@H](CC)NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000125816921 823718308 /nfs/dbraw/zinc/71/83/08/823718308.db2.gz WIPNLSZEEAQRFC-QMMLZNLJSA-N 1 0 385.552 4.195 20 0 GIADRO CCS(=O)(=O)CC[NH2+][C@@H](CCSc1ccccc1)c1ccc(F)cc1 ZINC000163529022 823718505 /nfs/dbraw/zinc/71/85/05/823718505.db2.gz IPANFCBVEMUKIJ-IBGZPJMESA-N 1 0 381.538 4.074 20 0 GIADRO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@@H+]2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)o1 ZINC000574399682 823719424 /nfs/dbraw/zinc/71/94/24/823719424.db2.gz NTNFYRFWAQVTKU-YDSTWLSQSA-N 1 0 388.471 4.344 20 0 GIADRO CC[NH+](CC)[C@H](C)CNC(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000125821950 823719939 /nfs/dbraw/zinc/71/99/39/823719939.db2.gz NEQSJUIGLAIETL-MRXNPFEDSA-N 1 0 383.496 4.182 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1ccc(SC(F)F)cc1 ZINC000125829771 823722346 /nfs/dbraw/zinc/72/23/46/823722346.db2.gz CGQAGFISNBJUKZ-ZDUSSCGKSA-N 1 0 385.501 4.397 20 0 GIADRO CCc1nc(C)c([C@@H](C)[NH2+][C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)s1 ZINC000191644645 823722570 /nfs/dbraw/zinc/72/25/70/823722570.db2.gz UPTIEXNFFMAECA-PXAZEXFGSA-N 1 0 393.503 4.134 20 0 GIADRO CC(C)C[C@@]1(CO)CCC[N@@H+]1Cc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000191646154 823723157 /nfs/dbraw/zinc/72/31/57/823723157.db2.gz PRJYBTROIYXACD-HXUWFJFHSA-N 1 0 375.538 4.050 20 0 GIADRO CCCn1nc(C)c(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)c1C ZINC000163571789 823723795 /nfs/dbraw/zinc/72/37/95/823723795.db2.gz CTHKRPZKGRIGAV-KRWDZBQOSA-N 1 0 382.552 4.214 20 0 GIADRO Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+][C@@H]1CCN(CC(F)(F)F)C1 ZINC000125835036 823723858 /nfs/dbraw/zinc/72/38/58/823723858.db2.gz ODMSWXVXQWIJGO-XJKSGUPXSA-N 1 0 383.483 4.330 20 0 GIADRO Cc1ccc(OCCCC(=O)NC2CC[NH+](C3CCCC3)CC2)c(Cl)c1 ZINC000125836623 823724047 /nfs/dbraw/zinc/72/40/47/823724047.db2.gz BEQRVZBGDYSVTO-UHFFFAOYSA-N 1 0 378.944 4.331 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)[C@@H]1C[C@H]1c1ccccc1OC ZINC000413189224 823724050 /nfs/dbraw/zinc/72/40/50/823724050.db2.gz YOXDLHFTBJTODL-RBUKOAKNSA-N 1 0 382.504 4.158 20 0 GIADRO CC(C)(C)c1ccncc1CNC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000413188747 823724259 /nfs/dbraw/zinc/72/42/59/823724259.db2.gz XQVGXRMWUYCEFQ-UHFFFAOYSA-N 1 0 394.563 4.091 20 0 GIADRO CC1(C)[C@H]([NH2+]C[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)C[C@H]1Oc1ccccc1 ZINC000574421963 823725304 /nfs/dbraw/zinc/72/53/04/823725304.db2.gz ZULGBEJWDZJXDY-FCGDIQPGSA-N 1 0 383.492 4.003 20 0 GIADRO CC[NH+]1CCC(n2nccc2NC(=O)c2sc3cc(F)ccc3c2C)CC1 ZINC000574433086 823727812 /nfs/dbraw/zinc/72/78/12/823727812.db2.gz ATNAWSBCMNEXCW-UHFFFAOYSA-N 1 0 386.496 4.454 20 0 GIADRO COc1ccc(CN(C)C(=O)NC2CC[NH+](CC3CCCC3)CC2)cc1Cl ZINC000413213169 823729202 /nfs/dbraw/zinc/72/92/02/823729202.db2.gz XZRCUEJRGYEMMA-UHFFFAOYSA-N 1 0 393.959 4.145 20 0 GIADRO COC1CCN(CC[NH2+][C@H](C)c2ccc(SCC(F)(F)F)cc2)CC1 ZINC000163632582 823729744 /nfs/dbraw/zinc/72/97/44/823729744.db2.gz QPJMLNLGDOJMKV-CQSZACIVSA-N 1 0 376.488 4.102 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)[C@@H](C)Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000413214427 823730004 /nfs/dbraw/zinc/73/00/04/823730004.db2.gz LUPYAIHEEWIXTD-HNNXBMFYSA-N 1 0 386.458 4.097 20 0 GIADRO CN(C)C(=O)Sc1cccc(C[NH+]2CCC(Oc3ccc(F)nc3)CC2)c1 ZINC000191676428 823730074 /nfs/dbraw/zinc/73/00/74/823730074.db2.gz WSYVBJXEBRQUGO-UHFFFAOYSA-N 1 0 389.496 4.038 20 0 GIADRO CC(=O)Nc1ccc(Cl)c(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c1 ZINC000125857744 823730240 /nfs/dbraw/zinc/73/02/40/823730240.db2.gz JGRXDDNTGQSRGH-RDJZCZTQSA-N 1 0 391.943 4.025 20 0 GIADRO CC(C)c1cc(NC(=O)NC2CCC(C[NH+](C)C)CC2)n(-c2ccccc2)n1 ZINC000574442153 823731388 /nfs/dbraw/zinc/73/13/88/823731388.db2.gz IVVJLGLYTQAXIB-UHFFFAOYSA-N 1 0 383.540 4.238 20 0 GIADRO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[NH2+]C[C@H]1CCOC1 ZINC000163642883 823731532 /nfs/dbraw/zinc/73/15/32/823731532.db2.gz GTFRQVQZZVBUTJ-QGZVFWFLSA-N 1 0 381.451 4.238 20 0 GIADRO CC[C@H](CNC(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1)CC(F)(F)F ZINC000413221348 823732260 /nfs/dbraw/zinc/73/22/60/823732260.db2.gz SZBQEGYPTZJLTG-GJZGRUSLSA-N 1 0 375.435 4.003 20 0 GIADRO COCCOc1ccc(C[NH2+][C@H](C)c2ccc(Br)cc2F)cc1 ZINC000125871183 823733334 /nfs/dbraw/zinc/73/33/34/823733334.db2.gz HJPATYZAFQFCRT-CYBMUJFWSA-N 1 0 382.273 4.464 20 0 GIADRO Cc1ccc(Sc2ncccc2C(=O)N2CCC3(CC[NH2+]C3)CC2)c(C)c1 ZINC000574450102 823733866 /nfs/dbraw/zinc/73/38/66/823733866.db2.gz HGJGPBYVYSLDIM-UHFFFAOYSA-N 1 0 381.545 4.065 20 0 GIADRO CC(C)c1c(NC(=O)N2CC[C@@H](C[NH+](C)C)C2)cnn1-c1ccccc1Cl ZINC000191686455 823734046 /nfs/dbraw/zinc/73/40/46/823734046.db2.gz PZNQUIGSEMOYQT-HNNXBMFYSA-N 1 0 389.931 4.065 20 0 GIADRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)c3csc(Cc4ccccc4)n3)cccc21 ZINC000574452635 823734315 /nfs/dbraw/zinc/73/43/15/823734315.db2.gz DHLKLCVBOPHCCJ-LJQANCHMSA-N 1 0 393.512 4.371 20 0 GIADRO C[NH+](C)Cc1ccccc1CNC(=O)c1ccc(N2CCc3ccccc3C2)cc1 ZINC000064022822 823734923 /nfs/dbraw/zinc/73/49/23/823734923.db2.gz TTWSHSMUACUHMF-UHFFFAOYSA-N 1 0 399.538 4.241 20 0 GIADRO C[C@H](Cc1ccc(O)cc1)[N@H+](C)CC(=O)Nc1ccccc1SC(F)F ZINC000125881013 823735485 /nfs/dbraw/zinc/73/54/85/823735485.db2.gz CXAWALVTHQJXPR-CYBMUJFWSA-N 1 0 380.460 4.208 20 0 GIADRO CC(C)([NH2+]C[C@H](O)COCc1cccs1)c1ccc(OC(F)(F)F)cc1 ZINC000191690463 823735667 /nfs/dbraw/zinc/73/56/67/823735667.db2.gz XVWRXOHCWJXDEJ-AWEZNQCLSA-N 1 0 389.439 4.049 20 0 GIADRO CCCCOc1ccc(CCNC(=O)c2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000064026351 823735712 /nfs/dbraw/zinc/73/57/12/823735712.db2.gz GRCHMWTUBWVBLA-UHFFFAOYSA-N 1 0 380.532 4.434 20 0 GIADRO C[N@H+](C[C@@H](O)COc1ccc(Cl)cc1Br)C1CCCCC1 ZINC000064030396 823737417 /nfs/dbraw/zinc/73/74/17/823737417.db2.gz YQJJZTVELIKKBJ-CQSZACIVSA-N 1 0 376.722 4.107 20 0 GIADRO CC(C)([NH2+]Cc1cc2ccccc2[nH]c1=O)c1ccc(OC(F)(F)F)cc1 ZINC000191694573 823737535 /nfs/dbraw/zinc/73/75/35/823737535.db2.gz LBWPXSJMXNNUDU-UHFFFAOYSA-N 1 0 376.378 4.452 20 0 GIADRO COc1ccccc1NC(=O)C[NH2+]C(C)(C)c1ccc(OC(F)(F)F)cc1 ZINC000191694990 823737886 /nfs/dbraw/zinc/73/78/86/823737886.db2.gz PTZMIKXXQNBXNE-UHFFFAOYSA-N 1 0 382.382 4.057 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)c1ccccc1OC(F)(F)F ZINC000163694202 823738181 /nfs/dbraw/zinc/73/81/81/823738181.db2.gz LYPZIYZRSLMLPI-INIZCTEOSA-N 1 0 394.437 4.268 20 0 GIADRO COc1ccc(CCC[N@H+](C)CC(=O)Nc2ccc(N3CCCC3)cc2C)cc1 ZINC000125889388 823738201 /nfs/dbraw/zinc/73/82/01/823738201.db2.gz SEWXQNBDXQQMBC-UHFFFAOYSA-N 1 0 395.547 4.107 20 0 GIADRO Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000413248834 823738303 /nfs/dbraw/zinc/73/83/03/823738303.db2.gz XSVRUJIVPXYHIZ-AITUJVMLSA-N 1 0 385.552 4.067 20 0 GIADRO Cc1nc(C(=O)NCc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)c(C)o1 ZINC000574470950 823738797 /nfs/dbraw/zinc/73/87/97/823738797.db2.gz MYZJETSWEDJITJ-UHFFFAOYSA-N 1 0 389.499 4.484 20 0 GIADRO CC1(C(=O)N[C@H]2C[C@@H]2c2c(F)cccc2F)CC[NH+](Cc2ccccc2)CC1 ZINC000163707802 823740344 /nfs/dbraw/zinc/74/03/44/823740344.db2.gz PRDDHOHVLYCTME-PXNSSMCTSA-N 1 0 384.470 4.239 20 0 GIADRO CC1(C(=O)N[C@@H]2C[C@H]2c2c(F)cccc2F)CC[NH+](Cc2ccccc2)CC1 ZINC000163707937 823740436 /nfs/dbraw/zinc/74/04/36/823740436.db2.gz PRDDHOHVLYCTME-YLJYHZDGSA-N 1 0 384.470 4.239 20 0 GIADRO CS(=O)(=O)Cc1cccc(C[NH2+][C@H](Cc2ccccc2F)c2ccccc2)c1 ZINC000191701005 823740620 /nfs/dbraw/zinc/74/06/20/823740620.db2.gz RMTFDTMDDMBMCL-HSZRJFAPSA-N 1 0 397.515 4.444 20 0 GIADRO OC[C@@H]([NH2+]Cc1ccc(-c2cccc(Br)c2)s1)C1CCOCC1 ZINC000574477056 823740911 /nfs/dbraw/zinc/74/09/11/823740911.db2.gz BAIFXDOQLUWZIC-QGZVFWFLSA-N 1 0 396.350 4.055 20 0 GIADRO Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H]2C[C@H](c3ccccc3Cl)C2)CC1 ZINC000574477878 823741082 /nfs/dbraw/zinc/74/10/82/823741082.db2.gz REALMPRCVDDOJF-IYARVYRRSA-N 1 0 383.923 4.322 20 0 GIADRO OC[C@H]([NH2+]Cc1ccc(-c2cccc(Br)c2)s1)C1CCOCC1 ZINC000574477053 823741150 /nfs/dbraw/zinc/74/11/50/823741150.db2.gz BAIFXDOQLUWZIC-KRWDZBQOSA-N 1 0 396.350 4.055 20 0 GIADRO C[C@@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)CC(F)(F)F ZINC000413268489 823741442 /nfs/dbraw/zinc/74/14/42/823741442.db2.gz QXZRAYCACAMADV-CCNLRDMRSA-N 1 0 383.458 4.070 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)[C@@H](C)c1nc2ccccc2s1 ZINC000163721951 823741531 /nfs/dbraw/zinc/74/15/31/823741531.db2.gz RRKHFQCNSMTPEM-QZTJIDSGSA-N 1 0 395.572 4.410 20 0 GIADRO COc1cc([C@@H](C)[NH2+]Cc2cccc(CN3CCOCC3)c2)ccc1SC ZINC000163737553 823743968 /nfs/dbraw/zinc/74/39/68/823743968.db2.gz VHHZGLNHXJYNNA-QGZVFWFLSA-N 1 0 386.561 4.100 20 0 GIADRO C[C@H](O)[C@@](C)(C[NH2+]Cc1ccc(OCc2ccncc2)cc1)Cc1ccccc1 ZINC000191714643 823744978 /nfs/dbraw/zinc/74/49/78/823744978.db2.gz CWWPWCHEQCGVIM-NBGIEHNGSA-N 1 0 390.527 4.380 20 0 GIADRO CC[NH+](CC)CCOc1ccc(NC(=O)NCc2nc(C3CC3)cs2)cc1 ZINC000125937735 823749317 /nfs/dbraw/zinc/74/93/17/823749317.db2.gz SIPYHOMECCZQRH-UHFFFAOYSA-N 1 0 388.537 4.063 20 0 GIADRO c1ccc(CCCOc2cccc(C[NH+]3CCC(O[C@@H]4CCOC4)CC3)c2)cc1 ZINC000574506259 823751122 /nfs/dbraw/zinc/75/11/22/823751122.db2.gz DDLQADIKUBWLDE-RUZDIDTESA-N 1 0 395.543 4.468 20 0 GIADRO Cc1nn(CN2CC[NH+](CC3CCCCC3)CC2)c(=S)n1-c1ccccc1C ZINC000064128125 823751894 /nfs/dbraw/zinc/75/18/94/823751894.db2.gz CALAWCMJEZHIMD-UHFFFAOYSA-N 1 0 399.608 4.176 20 0 GIADRO Cc1ccc(-c2nn(CN3CC[NH+](CC4CCCCC4)CC3)c(=S)[nH]2)cc1 ZINC000064128447 823751966 /nfs/dbraw/zinc/75/19/66/823751966.db2.gz RLGWHPNZUTXGGP-UHFFFAOYSA-N 1 0 385.581 4.072 20 0 GIADRO O=C(NCc1ccn2ccnc2c1)Nc1cccc(Cl)c1Br ZINC000191738205 823752035 /nfs/dbraw/zinc/75/20/35/823752035.db2.gz DOEJWRYNHDIARJ-UHFFFAOYSA-N 1 0 379.645 4.072 20 0 GIADRO CC(C)C[C@H](NC(=O)CN1CC[NH+](CC2CCCCC2)CC1)c1ccccc1 ZINC000064129740 823752417 /nfs/dbraw/zinc/75/24/17/823752417.db2.gz BSCDHJFTLAMVJA-QHCPKHFHSA-N 1 0 385.596 4.088 20 0 GIADRO CC(=O)c1ccc2c(c1)CN(C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)C2 ZINC000413324342 823752944 /nfs/dbraw/zinc/75/29/44/823752944.db2.gz IZYZVQMDRZTJEB-DYESRHJHSA-N 1 0 397.544 4.059 20 0 GIADRO O[C@H](C[NH2+]Cc1nc2ccccc2n1C1CC1)COc1cccc2ccccc21 ZINC000574513387 823752900 /nfs/dbraw/zinc/75/29/00/823752900.db2.gz NKTZUXQNGNKDHZ-LJQANCHMSA-N 1 0 387.483 4.054 20 0 GIADRO CC(C)(C)[N@@H+]1CCc2nc(NC(=O)COCc3cccc(Cl)c3)sc2C1 ZINC000574513423 823752966 /nfs/dbraw/zinc/75/29/66/823752966.db2.gz PLORUZOZFAZDDT-UHFFFAOYSA-N 1 0 393.940 4.108 20 0 GIADRO COCCOCc1ccc(C(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000461919483 823754555 /nfs/dbraw/zinc/75/45/55/823754555.db2.gz QIBCHJFPKKSFSD-UHFFFAOYSA-N 1 0 396.531 4.478 20 0 GIADRO COc1cc(Cl)c(F)c(C(=O)Nc2ccccc2NC2CC[NH+](C)CC2)c1 ZINC000413333619 823754450 /nfs/dbraw/zinc/75/44/50/823754450.db2.gz NFSIKPQWFBWEHD-UHFFFAOYSA-N 1 0 391.874 4.246 20 0 GIADRO C[C@@H](C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)c1cccc(Br)c1 ZINC000461923242 823757635 /nfs/dbraw/zinc/75/76/35/823757635.db2.gz OZJNBWPNAWPHLY-FZKQIMNGSA-N 1 0 393.300 4.111 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@H](C)C(C)(C)c2ccccc2)ccc1S(C)(=O)=O ZINC000163894112 823757973 /nfs/dbraw/zinc/75/79/73/823757973.db2.gz MYHMLWZGJGSJPT-JKSUJKDBSA-N 1 0 375.534 4.116 20 0 GIADRO CC[NH+](CC)C[C@H]1CCN(Cc2cc(Br)cc3cccnc32)C1 ZINC000163902323 823758722 /nfs/dbraw/zinc/75/87/22/823758722.db2.gz KSSYCDYHWFDLCZ-OAHLLOKOSA-N 1 0 376.342 4.161 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CSCc2cscn2)cc1 ZINC000125996808 823763129 /nfs/dbraw/zinc/76/31/29/823763129.db2.gz QIWLMHDHMQCBJT-INIZCTEOSA-N 1 0 389.590 4.067 20 0 GIADRO CC(C)(C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000191777700 823764617 /nfs/dbraw/zinc/76/46/17/823764617.db2.gz HYKIMJQTSLOPEM-QGZVFWFLSA-N 1 0 398.469 4.340 20 0 GIADRO Clc1snnc1CN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000126017158 823767462 /nfs/dbraw/zinc/76/74/62/823767462.db2.gz REVCIENYLOXOFF-UHFFFAOYSA-N 1 0 382.920 4.079 20 0 GIADRO CCOc1ccc(-c2nc(CSCC3CC[NH2+]CC3)cs2)cc1OC ZINC000574569381 823769243 /nfs/dbraw/zinc/76/92/43/823769243.db2.gz PYCZWTQUWHLMHF-UHFFFAOYSA-N 1 0 378.563 4.450 20 0 GIADRO CCC[NH+]1CCC(N[C@@H](C)c2ccc(OCc3ccncc3)c(OC)c2)CC1 ZINC000164028522 823771790 /nfs/dbraw/zinc/77/17/90/823771790.db2.gz VNXVURMPJYNVGL-SFHVURJKSA-N 1 0 383.536 4.194 20 0 GIADRO Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCC[N@@H+]1CCC(=O)NC1CCCC1 ZINC000126036655 823771918 /nfs/dbraw/zinc/77/19/18/823771918.db2.gz OPQFVEDNFNMKGV-QGZVFWFLSA-N 1 0 380.964 4.087 20 0 GIADRO C[NH+](C)CCCC1CCN(C(=O)N[C@H](c2cccc(F)c2)c2ccccn2)CC1 ZINC000164036186 823771999 /nfs/dbraw/zinc/77/19/99/823771999.db2.gz GGVNAMFPEVVTFK-JOCHJYFZSA-N 1 0 398.526 4.074 20 0 GIADRO CCn1cc([C@H](C)[NH2+][C@@H](C)c2ccc(OCc3ccncc3)c(OC)c2)cn1 ZINC000164032928 823772053 /nfs/dbraw/zinc/77/20/53/823772053.db2.gz UTXOYNKAWMFQTD-IRXDYDNUSA-N 1 0 380.492 4.297 20 0 GIADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000413412792 823772147 /nfs/dbraw/zinc/77/21/47/823772147.db2.gz FRSFMJWJJGLOAI-ZDXQCDESSA-N 1 0 377.532 4.088 20 0 GIADRO Cc1cc(C[NH2+][C@@H]2CCC[C@@H](N3CCCC3=O)C2)ccc1Oc1cccnc1 ZINC000574585524 823772267 /nfs/dbraw/zinc/77/22/67/823772267.db2.gz XTKQWSUTZXEOQZ-WOJBJXKFSA-N 1 0 379.504 4.206 20 0 GIADRO Cc1c([C@@H](C)[NH2+][C@@H](C)c2ccc(NC(N)=O)cc2)cnn1-c1ccc(F)cc1 ZINC000164039862 823772740 /nfs/dbraw/zinc/77/27/40/823772740.db2.gz YWRJSCIUUHJFMC-UONOGXRCSA-N 1 0 381.455 4.222 20 0 GIADRO CCCc1c(NC(=O)NC2CC([NH+]3CCCCC3)C2)cnn1-c1ccc(C)cc1 ZINC000574589635 823773492 /nfs/dbraw/zinc/77/34/92/823773492.db2.gz QUXJYNBKWQDOHT-UHFFFAOYSA-N 1 0 395.551 4.272 20 0 GIADRO CCCN(CC[NH+](CC)CC)C(=O)N[C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000461962811 823773677 /nfs/dbraw/zinc/77/36/77/823773677.db2.gz XQUAUSQLYRQAAQ-SFHVURJKSA-N 1 0 385.556 4.005 20 0 GIADRO C[C@H]([NH2+][C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1ccccc1-n1ccnn1 ZINC000574591120 823774058 /nfs/dbraw/zinc/77/40/58/823774058.db2.gz HPDXVISSQUVTMR-GMVOTWDCSA-N 1 0 386.858 4.241 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@@H]2CCCc3c2cnn3C)ccc1OCc1ccncc1 ZINC000164069676 823775083 /nfs/dbraw/zinc/77/50/83/823775083.db2.gz DONQJIXHMGAGSV-OXJNMPFZSA-N 1 0 392.503 4.131 20 0 GIADRO Cc1ccc([C@@H]2CCCN2C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)cc1C ZINC000461965977 823775139 /nfs/dbraw/zinc/77/51/39/823775139.db2.gz ACMUVFCPPMUZGI-DEOSSOPVSA-N 1 0 391.559 4.028 20 0 GIADRO COc1cc([C@H](C)[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)ccc1OC(F)F ZINC000164080862 823775885 /nfs/dbraw/zinc/77/58/85/823775885.db2.gz CSYHSQUGKCEDTQ-LBPRGKRZSA-N 1 0 388.455 4.251 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CSCc1cscn1 ZINC000126058468 823777476 /nfs/dbraw/zinc/77/74/76/823777476.db2.gz GNUZEICFLFCLFW-MRXNPFEDSA-N 1 0 389.590 4.067 20 0 GIADRO Oc1ccc(CCCc2nc(-c3cccc(C[NH+]4CCCC4)c3)no2)cc1F ZINC000574603676 823777658 /nfs/dbraw/zinc/77/76/58/823777658.db2.gz LHWYSICBOZQUJG-UHFFFAOYSA-N 1 0 381.451 4.352 20 0 GIADRO COc1ccc(-c2nc(C[NH2+][C@@H]3[C@@H]4CCCO[C@@H]4C3(C)C)cs2)cc1OC ZINC000574604930 823778230 /nfs/dbraw/zinc/77/82/30/823778230.db2.gz SGPACMASNMHWPO-IPELMVKDSA-N 1 0 388.533 4.121 20 0 GIADRO COc1ccc([C@@H](C)NC(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1F ZINC000064237526 823778292 /nfs/dbraw/zinc/77/82/92/823778292.db2.gz TVJICMFDJZDZSB-UTKZUKDTSA-N 1 0 399.510 4.340 20 0 GIADRO Cc1ccc([C@H](CNC(=O)N[C@@H](C)CCc2ccc(O)cc2)[NH+]2CCCC2)cc1 ZINC000064237439 823778367 /nfs/dbraw/zinc/77/83/67/823778367.db2.gz AILDZAGZJPZEMY-CVDCTZTESA-N 1 0 395.547 4.158 20 0 GIADRO COc1cc(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)cc(Cl)c1OC ZINC000574606488 823778694 /nfs/dbraw/zinc/77/86/94/823778694.db2.gz KIYRIOLQRSZDJN-QWFCFKBJSA-N 1 0 387.907 4.362 20 0 GIADRO CC(=O)NCC[C@@H]1CCC[N@H+](Cc2cccc(OCc3ccc(F)cc3)c2)C1 ZINC000574607218 823779083 /nfs/dbraw/zinc/77/90/83/823779083.db2.gz QIRQJZPERZVMBS-IBGZPJMESA-N 1 0 384.495 4.143 20 0 GIADRO Clc1ccccc1[C@@H](C[NH2+]Cc1cccc2cccnc21)N1CCOCC1 ZINC000126069177 823779421 /nfs/dbraw/zinc/77/94/21/823779421.db2.gz ITBZIMGLOAAILA-OAQYLSRUSA-N 1 0 381.907 4.051 20 0 GIADRO C[C@@H](c1ccc(OC(F)F)cc1)[NH+]1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000064249389 823780150 /nfs/dbraw/zinc/78/01/50/823780150.db2.gz XJUSMESXIVHOJY-HNNXBMFYSA-N 1 0 395.494 4.445 20 0 GIADRO CC(C)[NH2+]C1CCN(C(=O)N[C@@H](C)[C@@H](C)c2ccccc2C(F)(F)F)CC1 ZINC000164147424 823781662 /nfs/dbraw/zinc/78/16/62/823781662.db2.gz AQJBYXWNPUERSK-CABCVRRESA-N 1 0 385.474 4.369 20 0 GIADRO C[C@H](CNC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)CC(F)(F)F ZINC000413461350 823782078 /nfs/dbraw/zinc/78/20/78/823782078.db2.gz UPPKZXTYEYXOAN-SMDDNHRTSA-N 1 0 399.379 4.196 20 0 GIADRO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H](C)c2cc(C)sc2C)c(OC)c1 ZINC000126081273 823782202 /nfs/dbraw/zinc/78/22/02/823782202.db2.gz ZRFRGLFLHFFSTG-GXTWGEPZSA-N 1 0 376.522 4.450 20 0 GIADRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)c1cc(-c2ccccc2)ns1 ZINC000461987111 823783913 /nfs/dbraw/zinc/78/39/13/823783913.db2.gz PYPXLUPMIQIGLJ-UHFFFAOYSA-N 1 0 383.492 4.153 20 0 GIADRO CC(C)[C@@H](C[NH2+]C1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1cccnc1 ZINC000164182833 823784218 /nfs/dbraw/zinc/78/42/18/823784218.db2.gz VEZKGYCWQZBMOY-OAQYLSRUSA-N 1 0 385.939 4.369 20 0 GIADRO CC[C@@H](NC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccccc1 ZINC000413512197 823789839 /nfs/dbraw/zinc/78/98/39/823789839.db2.gz XGDNXFWHAZCDQN-DAWZGUTISA-N 1 0 383.458 4.242 20 0 GIADRO Cc1ccc(CN2CCOCC2)cc1NC(=O)CCSc1ccc(F)cc1 ZINC000126117364 823792317 /nfs/dbraw/zinc/79/23/17/823792317.db2.gz NRNLEPJYJKXETN-UHFFFAOYSA-N 1 0 388.508 4.087 20 0 GIADRO CCC[N@H+](C)[C@H](CNC(=O)N[C@@H](C)c1nccs1)c1ccc(Cl)cc1 ZINC000413531122 823792518 /nfs/dbraw/zinc/79/25/18/823792518.db2.gz LDNSEAREHLWJOU-XJKSGUPXSA-N 1 0 380.945 4.240 20 0 GIADRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000462009473 823793266 /nfs/dbraw/zinc/79/32/66/823793266.db2.gz JWWSSKRAELZNMU-SFHVURJKSA-N 1 0 380.536 4.151 20 0 GIADRO CCOc1ccccc1Oc1ccccc1C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000164285676 823793397 /nfs/dbraw/zinc/79/33/97/823793397.db2.gz DQTRZQSVIRPAKL-UYAOXDASSA-N 1 0 394.515 4.434 20 0 GIADRO CC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1C(C)C ZINC000126124496 823794102 /nfs/dbraw/zinc/79/41/02/823794102.db2.gz HIXIDTPGWMVGAW-IBGZPJMESA-N 1 0 387.568 4.233 20 0 GIADRO C[C@@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccccc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000191855751 823796626 /nfs/dbraw/zinc/79/66/26/823796626.db2.gz LUBJUHFOIABFHY-WVBUVRCRSA-N 1 0 379.504 4.399 20 0 GIADRO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1 ZINC000164354846 823797774 /nfs/dbraw/zinc/79/77/74/823797774.db2.gz NSRKEROJNNXGAZ-QFBILLFUSA-N 1 0 399.514 4.047 20 0 GIADRO COc1cc(Cl)c(F)c(C(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)c1 ZINC000413570686 823798323 /nfs/dbraw/zinc/79/83/23/823798323.db2.gz PEGJRTVOBNJUQO-UHFFFAOYSA-N 1 0 390.886 4.224 20 0 GIADRO C[C@@H](NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)c1ccc(OC(F)F)cc1 ZINC000462023577 823798730 /nfs/dbraw/zinc/79/87/30/823798730.db2.gz SBGBOLHQGXVVFV-CQSZACIVSA-N 1 0 383.398 4.340 20 0 GIADRO C[C@H](NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)c1ccc(OC(F)F)cc1 ZINC000462023576 823798814 /nfs/dbraw/zinc/79/88/14/823798814.db2.gz SBGBOLHQGXVVFV-AWEZNQCLSA-N 1 0 383.398 4.340 20 0 GIADRO O=C(Nc1ccccc1)[C@@H](NC1CC[NH+](C2CCCC2)CC1)c1ccccc1 ZINC000164375780 823798871 /nfs/dbraw/zinc/79/88/71/823798871.db2.gz NGYZLXARSMGMNJ-QHCPKHFHSA-N 1 0 377.532 4.363 20 0 GIADRO Clc1cccc(-c2nc(CN3CC[NH+](CCc4cccs4)CC3)co2)c1 ZINC000064351666 823799157 /nfs/dbraw/zinc/79/91/57/823799157.db2.gz KQJLMOROYMRSMH-UHFFFAOYSA-N 1 0 387.936 4.417 20 0 GIADRO C[C@H]([NH2+]C[C@@]1(CO)C[C@@H]1c1ccccc1)c1ccc(Br)c(F)c1 ZINC000574680229 823799204 /nfs/dbraw/zinc/79/92/04/823799204.db2.gz ZBLDRKYPJUSNJQ-URKNILKWSA-N 1 0 378.285 4.405 20 0 GIADRO Fc1ccc(-c2nc(CN3CC[NH+](CCc4cccs4)CC3)cs2)cc1 ZINC000064351686 823799166 /nfs/dbraw/zinc/79/91/66/823799166.db2.gz FNSIYHPEHJBBRN-UHFFFAOYSA-N 1 0 387.549 4.371 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]CCc2c[nH]c3c2cccc3C)c1 ZINC000164398411 823800736 /nfs/dbraw/zinc/80/07/36/823800736.db2.gz RRLKMJSWIPKQTH-MRXNPFEDSA-N 1 0 395.503 4.043 20 0 GIADRO CSC1(CNC(=O)N[C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)CC[NH+](C)CC1 ZINC000413589960 823801737 /nfs/dbraw/zinc/80/17/37/823801737.db2.gz SSTSUXZWJGXKLI-SJLPKXTDSA-N 1 0 396.000 4.103 20 0 GIADRO [NH3+]C1(CNC(=O)c2occc2CSc2ccccc2)C2CC3CC(C2)CC1C3 ZINC000574690620 823802193 /nfs/dbraw/zinc/80/21/93/823802193.db2.gz GOMDEZIZIIODAQ-UHFFFAOYSA-N 1 0 396.556 4.455 20 0 GIADRO CCC[C@H]1C[NH2+]CCN1Cc1csc(N(C(C)=O)c2cccc(Cl)c2)n1 ZINC000574692050 823802203 /nfs/dbraw/zinc/80/22/03/823802203.db2.gz FLYUKPPLGJECTI-SFHVURJKSA-N 1 0 392.956 4.055 20 0 GIADRO O=C(Nc1ccccc1)c1nnc(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)s1 ZINC000191884362 823803597 /nfs/dbraw/zinc/80/35/97/823803597.db2.gz JQUCSIDTSYGLDU-IEBWSBKVSA-N 1 0 392.528 4.291 20 0 GIADRO CC[C@@H]([NH2+]C[C@@H](O)Cc1cccc(Cl)c1)c1nc(C(F)(F)F)cs1 ZINC000574700021 823803851 /nfs/dbraw/zinc/80/38/51/823803851.db2.gz VHLCPTJDJXCVPG-QWHCGFSZSA-N 1 0 378.847 4.460 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)CN2CCOc3ccc(Cl)cc32)c1 ZINC000462032341 823804079 /nfs/dbraw/zinc/80/40/79/823804079.db2.gz OFIRMWDQYWLKEL-UHFFFAOYSA-N 1 0 387.911 4.019 20 0 GIADRO COc1cc(CN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)C2CC2)ccc1O ZINC000413624489 823804911 /nfs/dbraw/zinc/80/49/11/823804911.db2.gz LBUWRKXKYPCROQ-UHFFFAOYSA-N 1 0 394.515 4.192 20 0 GIADRO COC(=O)C[C@@](C)([NH2+]Cc1cccc(OCc2ccccc2)c1)c1ccncc1 ZINC000191904921 823808936 /nfs/dbraw/zinc/80/89/36/823808936.db2.gz PBHDPQVWUAQSQA-XMMPIXPASA-N 1 0 390.483 4.229 20 0 GIADRO C[C@H](NC(=O)[C@H](C)[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O)c1cc2ccccc2o1 ZINC000574723528 823809315 /nfs/dbraw/zinc/80/93/15/823809315.db2.gz RMKRAQXDWIKDMT-FLFBIERCSA-N 1 0 384.520 4.014 20 0 GIADRO C[C@@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1nc2ccccc2n1C ZINC000574723379 823809618 /nfs/dbraw/zinc/80/96/18/823809618.db2.gz OUGFGCFMHBWUJD-QGZVFWFLSA-N 1 0 376.504 4.050 20 0 GIADRO CCCn1ccnc1CCCN(C)C(=O)Nc1sc(C)nc1CC(C)C ZINC000191916097 823811098 /nfs/dbraw/zinc/81/10/98/823811098.db2.gz RQQOWVLFEARRFU-UHFFFAOYSA-N 1 0 377.558 4.353 20 0 GIADRO CCCn1ccnc1CCCN(C)C(=O)Nc1ccc(C)c(-c2ncco2)c1 ZINC000191917215 823811301 /nfs/dbraw/zinc/81/13/01/823811301.db2.gz VWBZHRIBCRLEDB-UHFFFAOYSA-N 1 0 381.480 4.353 20 0 GIADRO Cc1cc2oc(=O)cc(C[N@@H+]3CCCN(c4nccs4)CC3)c2cc1C(C)C ZINC000064402178 823812359 /nfs/dbraw/zinc/81/23/59/823812359.db2.gz HKWCAZJOBORPFD-UHFFFAOYSA-N 1 0 397.544 4.394 20 0 GIADRO COc1ccc(C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c(OC(C)C)c1 ZINC000191924599 823812876 /nfs/dbraw/zinc/81/28/76/823812876.db2.gz NYJFJQYAXPIALQ-HXUWFJFHSA-N 1 0 396.531 4.077 20 0 GIADRO CCN(CC)C(=O)C[NH2+]Cc1ccc(-c2cccc(Br)c2)s1 ZINC000064411331 823813144 /nfs/dbraw/zinc/81/31/44/823813144.db2.gz CETYRRBLCPVKOP-UHFFFAOYSA-N 1 0 381.339 4.136 20 0 GIADRO CC(C)(C[NH2+]Cc1ccc(F)cc1I)C(F)(F)F ZINC000574742353 823815762 /nfs/dbraw/zinc/81/57/62/823815762.db2.gz NXRNJFJAZSCNIM-UHFFFAOYSA-N 1 0 375.147 4.108 20 0 GIADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CCc3sc(Cl)cc32)o1 ZINC000462062693 823817360 /nfs/dbraw/zinc/81/73/60/823817360.db2.gz UCMASGJUJVSZRS-HNNXBMFYSA-N 1 0 381.929 4.064 20 0 GIADRO C[C@H](C(=O)NCCCCC[NH+]1CCCCC1)c1cccc(Br)c1 ZINC000462069932 823819140 /nfs/dbraw/zinc/81/91/40/823819140.db2.gz ISIDPRBJNRLVCD-INIZCTEOSA-N 1 0 381.358 4.325 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]CC(C)(C)c2ccc(F)cc2)c1 ZINC000164767453 823819130 /nfs/dbraw/zinc/81/91/30/823819130.db2.gz BTWYMECHLXYJDE-OAHLLOKOSA-N 1 0 388.483 4.127 20 0 GIADRO Cc1nc(C(F)(F)F)sc1C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000462078788 823821555 /nfs/dbraw/zinc/82/15/55/823821555.db2.gz IUDGMXMRQCLDHV-OCCSQVGLSA-N 1 0 389.487 4.197 20 0 GIADRO CC(C)(C[NH2+]C1CCN(C(=O)c2ccco2)CC1)c1ccc(F)cc1Cl ZINC000164838955 823822349 /nfs/dbraw/zinc/82/23/49/823822349.db2.gz HEVNTLVXLJGZNE-UHFFFAOYSA-N 1 0 378.875 4.244 20 0 GIADRO Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(OCC(F)(F)F)cc1 ZINC000574775024 823823350 /nfs/dbraw/zinc/82/33/50/823823350.db2.gz XTJUWEVMTDASAH-ALOPSCKCSA-N 1 0 379.426 4.272 20 0 GIADRO Cc1cc(C)c(-c2csc(NC(=O)C[N@H+](C[C@@H]3CCOC3)C3CC3)n2)cc1C ZINC000164866665 823823748 /nfs/dbraw/zinc/82/37/48/823823748.db2.gz JNTJOQZHDJSBNF-KRWDZBQOSA-N 1 0 399.560 4.175 20 0 GIADRO CN(C(=O)N[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000413715818 823824013 /nfs/dbraw/zinc/82/40/13/823824013.db2.gz OFPRRGCLTZBOHR-DZUNGVIMSA-N 1 0 375.944 4.243 20 0 GIADRO FC(F)(F)c1ccc(-c2nc(C[N@@H+]3CCC[C@@H](c4cc[nH]n4)C3)co2)cc1 ZINC000164900773 823824728 /nfs/dbraw/zinc/82/47/28/823824728.db2.gz GIEDCJAOTJSRAH-CQSZACIVSA-N 1 0 376.382 4.463 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)/C=C/c1ccsc1 ZINC000064470640 823825048 /nfs/dbraw/zinc/82/50/48/823825048.db2.gz FHRGDFXNXVNPGG-VMPITWQZSA-N 1 0 382.451 4.371 20 0 GIADRO COCc1ccc(C[NH2+]Cc2cc(Br)ccc2OC(F)F)cc1 ZINC000126271983 823825932 /nfs/dbraw/zinc/82/59/32/823825932.db2.gz ABKRUPJELKERNH-UHFFFAOYSA-N 1 0 386.236 4.487 20 0 GIADRO O=C(c1ccc(C[NH+]2CCC(CO)CC2)cc1)N1CCCCC[C@H]1c1ccco1 ZINC000164960882 823826785 /nfs/dbraw/zinc/82/67/85/823826785.db2.gz PWUCMDXFCQCUQC-QFIPXVFZSA-N 1 0 396.531 4.241 20 0 GIADRO O=C(NCC1(Sc2ccccc2)CC1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000462097633 823827059 /nfs/dbraw/zinc/82/70/59/823827059.db2.gz MDDCUUKJGCJWCL-UHFFFAOYSA-N 1 0 375.497 4.302 20 0 GIADRO COCc1cccc(NC(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCCC2)c1 ZINC000126280459 823828208 /nfs/dbraw/zinc/82/82/08/823828208.db2.gz DGWGZOQYXUCXRB-NRFANRHFSA-N 1 0 397.519 4.190 20 0 GIADRO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000164987004 823828560 /nfs/dbraw/zinc/82/85/60/823828560.db2.gz OMIBAIDFDUSRLE-INIZCTEOSA-N 1 0 394.519 4.320 20 0 GIADRO C[C@H](CNC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1)CC(F)(F)F ZINC000413743030 823830025 /nfs/dbraw/zinc/83/00/25/823830025.db2.gz FUGYNUPYAZGEHA-INIZCTEOSA-N 1 0 385.474 4.129 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000064497707 823831322 /nfs/dbraw/zinc/83/13/22/823831322.db2.gz LROUJELCYFDOHD-OALUTQOASA-N 1 0 392.877 4.312 20 0 GIADRO CCC[NH+]1CCC(N[C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)CC1 ZINC000462111932 823831425 /nfs/dbraw/zinc/83/14/25/823831425.db2.gz NFQUAQPDNICFTE-JOCHJYFZSA-N 1 0 380.511 4.381 20 0 GIADRO Brc1ccc(-c2nc(C[N@H+](C[C@H]3CCOC3)C3CC3)co2)cc1 ZINC000064508410 823832383 /nfs/dbraw/zinc/83/23/83/823832383.db2.gz SPIRCXICLMXECL-CYBMUJFWSA-N 1 0 377.282 4.105 20 0 GIADRO C[NH+](C)CC1CCN(c2ccccc2NC(=O)[C@@H]2C[C@]2(F)c2ccccc2)CC1 ZINC000413758136 823834934 /nfs/dbraw/zinc/83/49/34/823834934.db2.gz NPKXSFFBXKEXGR-RDPSFJRHSA-N 1 0 395.522 4.288 20 0 GIADRO C[C@H]([NH2+]CC1(CO)CC(c2ccccc2)C1)c1cncc(Br)c1 ZINC000574824463 823835192 /nfs/dbraw/zinc/83/51/92/823835192.db2.gz WGRZNAMBYBRAJH-STJZUHDESA-N 1 0 375.310 4.051 20 0 GIADRO CC[N@H+](CCC1CCN(C(=O)NC[C@@H](C)CC(F)(F)F)CC1)CC(C)C ZINC000413759112 823835359 /nfs/dbraw/zinc/83/53/59/823835359.db2.gz ICHDSUBSNXTMSU-INIZCTEOSA-N 1 0 379.511 4.365 20 0 GIADRO CC[C@@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)c1ccccc1OC(F)F ZINC000165151521 823835916 /nfs/dbraw/zinc/83/59/16/823835916.db2.gz VSNIPDKQQMGZAK-GOSISDBHSA-N 1 0 376.447 4.273 20 0 GIADRO Cc1cc(C)cc(OCCC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000064522344 823836123 /nfs/dbraw/zinc/83/61/23/823836123.db2.gz YBGOBDQTKXVLJX-IBGZPJMESA-N 1 0 386.561 4.162 20 0 GIADRO C[C@H](CCc1cccc(F)c1)C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000126312283 823836814 /nfs/dbraw/zinc/83/68/14/823836814.db2.gz VNXPHNBBRHCILK-GOSISDBHSA-N 1 0 383.511 4.164 20 0 GIADRO CCN(C(=O)NC1CCC(COC)CC1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000413766514 823837320 /nfs/dbraw/zinc/83/73/20/823837320.db2.gz FLHKPJRVFQHFGF-JBFBMEKISA-N 1 0 387.568 4.059 20 0 GIADRO Cc1nc(C(F)(F)F)sc1C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000462125540 823837310 /nfs/dbraw/zinc/83/73/10/823837310.db2.gz JVDPHSNPHMUQBV-CYBMUJFWSA-N 1 0 397.466 4.426 20 0 GIADRO Fc1cc(C[NH2+][C@@H]2CCCOc3ccc(Cl)cc32)ccc1N1CCOCC1 ZINC000165170342 823837659 /nfs/dbraw/zinc/83/76/59/823837659.db2.gz FKFDQQXOHBWZGG-LJQANCHMSA-N 1 0 390.886 4.319 20 0 GIADRO C[C@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)c1ccc(F)cc1OC(F)F ZINC000165177228 823838026 /nfs/dbraw/zinc/83/80/26/823838026.db2.gz AWSZSFJWXVJGOU-ZDUSSCGKSA-N 1 0 380.410 4.022 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)N1CCc2c1cccc2F ZINC000462127068 823838049 /nfs/dbraw/zinc/83/80/49/823838049.db2.gz CUIDEGTXERFDAB-UHFFFAOYSA-N 1 0 387.886 4.216 20 0 GIADRO Cc1nc(-c2cccc(NC(=O)NCC3([NH+]4CCCCC4)CCCCC3)c2)no1 ZINC000064544955 823840715 /nfs/dbraw/zinc/84/07/15/823840715.db2.gz DUMLXPMJLUPONE-UHFFFAOYSA-N 1 0 397.523 4.355 20 0 GIADRO C[C@@H](C(=O)NC1(c2cccc(C(F)(F)F)c2)CCOCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000413788800 823841594 /nfs/dbraw/zinc/84/15/94/823841594.db2.gz UXMWZSTYJHOHQF-XHSDSOJGSA-N 1 0 398.469 4.089 20 0 GIADRO COC[C@@]1(C[NH2+]Cc2csc(-c3cccs3)n2)OCCc2ccccc21 ZINC000574847823 823841818 /nfs/dbraw/zinc/84/18/18/823841818.db2.gz WQDGCSKUNJURPQ-HXUWFJFHSA-N 1 0 386.542 4.076 20 0 GIADRO COc1ccc(Cl)c(NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)c1 ZINC000064547986 823842007 /nfs/dbraw/zinc/84/20/07/823842007.db2.gz QQLJEAFOIOBHDR-UHFFFAOYSA-N 1 0 379.863 4.083 20 0 GIADRO CCOc1ccc(C(F)(F)F)cc1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000165353827 823845022 /nfs/dbraw/zinc/84/50/22/823845022.db2.gz WRMXHOFCGZNCCD-XJKSGUPXSA-N 1 0 385.430 4.052 20 0 GIADRO CCCCN(C(=O)c1cnc(C(F)(F)F)nc1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000126352133 823846170 /nfs/dbraw/zinc/84/61/70/823846170.db2.gz UHRJXABFYXJNKE-UHFFFAOYSA-N 1 0 386.462 4.047 20 0 GIADRO C[C@@H](N[C@@H](C)c1noc(Cc2ccccc2)n1)c1cccc(OCC[NH+](C)C)c1 ZINC000165378636 823846466 /nfs/dbraw/zinc/84/64/66/823846466.db2.gz JHORGZWIXUXSLV-MSOLQXFVSA-N 1 0 394.519 4.013 20 0 GIADRO Cc1ccc(F)cc1NC(=O)[C@H](C)[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000192059009 823846741 /nfs/dbraw/zinc/84/67/41/823846741.db2.gz QCZHZGVTSDWGID-SOVGHPHASA-N 1 0 376.859 4.234 20 0 GIADRO CCOc1ccc(NC(=O)NC2CC[NH+](CC(C)C)CC2)c(C(F)(F)F)c1 ZINC000064564057 823847117 /nfs/dbraw/zinc/84/71/17/823847117.db2.gz QBUKSPUVVHLVLD-UHFFFAOYSA-N 1 0 387.446 4.346 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)CCCc1nc2ccccc2s1 ZINC000462156676 823847760 /nfs/dbraw/zinc/84/77/60/823847760.db2.gz DMUVOHYMZGGBTB-FXAWDEMLSA-N 1 0 393.556 4.256 20 0 GIADRO Cc1cccc2c(CCC(=O)N[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C)c[nH]c21 ZINC000462157014 823847867 /nfs/dbraw/zinc/84/78/67/823847867.db2.gz FVZSQNVLEOQWQQ-PGRDOPGGSA-N 1 0 375.516 4.046 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCc2c1cc(Br)cc2F)c1ccc(NC(N)=O)cc1 ZINC000165405169 823847826 /nfs/dbraw/zinc/84/78/26/823847826.db2.gz SVDMCMFHBMUXIC-DYZYQPBXSA-N 1 0 392.272 4.417 20 0 GIADRO CC(=O)N(c1nc(CN2CCC[C@H]2C[NH+]2CCCCC2)cs1)c1ccccc1 ZINC000165400290 823847844 /nfs/dbraw/zinc/84/78/44/823847844.db2.gz FDWAXDNHBHPYJH-NRFANRHFSA-N 1 0 398.576 4.278 20 0 GIADRO C[C@H](CC(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1)C1CCCCC1 ZINC000574875576 823849492 /nfs/dbraw/zinc/84/94/92/823849492.db2.gz ULUBSTJOJOBVPI-QGZVFWFLSA-N 1 0 386.584 4.189 20 0 GIADRO C[C@H](NC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)c1ccc(C(F)(F)F)cc1 ZINC000462165325 823850605 /nfs/dbraw/zinc/85/06/05/823850605.db2.gz BJQOQXKDALEEST-YJBOKZPZSA-N 1 0 383.458 4.426 20 0 GIADRO CC(C)c1nn(C)c2sc(C(=O)N[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C)cc12 ZINC000462173036 823853649 /nfs/dbraw/zinc/85/36/49/823853649.db2.gz ZRTHDECOJIUAIC-YJBOKZPZSA-N 1 0 396.560 4.009 20 0 GIADRO CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]CCc2ccc(NC(C)=O)cc2)cc1 ZINC000165588875 823854879 /nfs/dbraw/zinc/85/48/79/823854879.db2.gz SJLKPBYDLGHNNX-KRWDZBQOSA-N 1 0 396.535 4.412 20 0 GIADRO Cc1nccn1-c1ccc(C[NH2+][C@H](C)[C@@H](C)c2nc3ccccc3s2)cn1 ZINC000126395150 823856096 /nfs/dbraw/zinc/85/60/96/823856096.db2.gz JGVWIEYTSMHSMA-HUUCEWRRSA-N 1 0 377.517 4.467 20 0 GIADRO CC1CC[NH+](Cc2ccc(CNC(=O)NC[C@@H]3CCOC4(CCC4)C3)cc2)CC1 ZINC000574899824 823856281 /nfs/dbraw/zinc/85/62/81/823856281.db2.gz UOLMHGRLDLUOKT-JOCHJYFZSA-N 1 0 399.579 4.067 20 0 GIADRO CC(C)(CNC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccccc1 ZINC000064644037 823856866 /nfs/dbraw/zinc/85/68/66/823856866.db2.gz CFTMQERWVSONKI-SFHVURJKSA-N 1 0 385.577 4.237 20 0 GIADRO CC(=O)Nc1ccc(CC[NH2+][C@@H](C)c2nnn(-c3ccc(Cl)cc3)c2C)cc1 ZINC000165651272 823856884 /nfs/dbraw/zinc/85/68/84/823856884.db2.gz NMIMYNPCUUIAJN-AWEZNQCLSA-N 1 0 397.910 4.081 20 0 GIADRO CC[C@@H]([NH2+][C@H]1CCc2ccccc21)c1ccccc1OCC(=O)N1CCCC1 ZINC000165648002 823856963 /nfs/dbraw/zinc/85/69/63/823856963.db2.gz YIZWVUWWSLSUBH-YADHBBJMSA-N 1 0 378.516 4.416 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CCCc2nnc(SC)n2CC(C)C)cc1F ZINC000165645629 823856978 /nfs/dbraw/zinc/85/69/78/823856978.db2.gz NQRQVESPAOXXBL-CQSZACIVSA-N 1 0 380.533 4.087 20 0 GIADRO COC(=O)c1ccc(C[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)cc1F ZINC000192091050 823857119 /nfs/dbraw/zinc/85/71/19/823857119.db2.gz CMVXQFOPFZKLIN-ZWKOTPCHSA-N 1 0 381.806 4.025 20 0 GIADRO Cc1cccc(Cl)c1NC(=O)C[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000192091234 823857214 /nfs/dbraw/zinc/85/72/14/823857214.db2.gz BMRXPUGQNUNPGP-APWZRJJASA-N 1 0 397.277 4.499 20 0 GIADRO CC[C@H]([NH2+][C@H](C)c1ccc(OC)cc1)c1ccccc1OCC(=O)N1CCCC1 ZINC000165661990 823857451 /nfs/dbraw/zinc/85/74/51/823857451.db2.gz HQPSUHZQLWHLMD-GCJKJVERSA-N 1 0 396.531 4.498 20 0 GIADRO CC(C)(C)C(=O)N1CCC(C[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000192091497 823857484 /nfs/dbraw/zinc/85/74/84/823857484.db2.gz WNLMSGZDCCWEPJ-RBUKOAKNSA-N 1 0 396.934 4.183 20 0 GIADRO CC(C)[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000462181725 823857693 /nfs/dbraw/zinc/85/76/93/823857693.db2.gz QRGSARPHWHJYPS-FXAWDEMLSA-N 1 0 378.944 4.078 20 0 GIADRO CC[C@@H]([NH2+][C@@H](C)c1cc(F)c(F)c(F)c1)c1ccccc1OCC(=O)N(C)C ZINC000165686022 823858775 /nfs/dbraw/zinc/85/87/75/823858775.db2.gz WBOHCZQVOHOOCM-SCLBCKFNSA-N 1 0 394.437 4.373 20 0 GIADRO CCN(C(=O)NCC(C)(C)c1cccnc1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000413887675 823859363 /nfs/dbraw/zinc/85/93/63/823859363.db2.gz JEDMMQPVHBAYNS-SIKLNZKXSA-N 1 0 394.563 4.226 20 0 GIADRO CC[C@@H]([NH2+][C@H](C)c1cc(F)cc(F)c1)c1ccccc1OCC(=O)N(C)C ZINC000165692014 823859418 /nfs/dbraw/zinc/85/94/18/823859418.db2.gz YTWGKFOPONJQML-AUUYWEPGSA-N 1 0 376.447 4.234 20 0 GIADRO CCN(CC)c1ccc(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000064664896 823859573 /nfs/dbraw/zinc/85/95/73/823859573.db2.gz MZGYHKCDSONSDV-GOSISDBHSA-N 1 0 385.577 4.236 20 0 GIADRO CC[C@H]([NH2+][C@@H]1CCCc2nc(C)sc21)c1ccccc1OCC(=O)N(C)C ZINC000165697736 823859921 /nfs/dbraw/zinc/85/99/21/823859921.db2.gz RBDUJMTZLNQRMY-FUHWJXTLSA-N 1 0 387.549 4.037 20 0 GIADRO CSc1nnc(CCC[NH2+][C@H](C)c2ccc(F)cc2N(C)C)n1CC(C)C ZINC000165707677 823860152 /nfs/dbraw/zinc/86/01/52/823860152.db2.gz KONHQUQUMGAAOI-OAHLLOKOSA-N 1 0 393.576 4.145 20 0 GIADRO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+](C[C@@H]2CC3(CCC3)C(=O)O2)C1 ZINC000192105272 823861714 /nfs/dbraw/zinc/86/17/14/823861714.db2.gz RQNAUJYPKUSRKJ-MSOLQXFVSA-N 1 0 381.520 4.282 20 0 GIADRO COc1ccc(CC[NH2+]Cc2csc(-c3ccccn3)n2)c(Cl)c1OC ZINC000574930091 823862611 /nfs/dbraw/zinc/86/26/11/823862611.db2.gz HZUGBWBPVOUAFD-UHFFFAOYSA-N 1 0 389.908 4.208 20 0 GIADRO CC[NH+](CC)[C@H](C(=O)N[C@H]1CCO[C@@H](C2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000462192901 823863176 /nfs/dbraw/zinc/86/31/76/823863176.db2.gz QKVRXNFFZWYQED-OTWHNJEPSA-N 1 0 398.469 4.162 20 0 GIADRO CC(C)c1cc(C(=O)Nc2ccc(OCC[NH+](C)C)cc2F)nn1C(C)(C)C ZINC000413903886 823863491 /nfs/dbraw/zinc/86/34/91/823863491.db2.gz RWWJZGZASFTEOR-UHFFFAOYSA-N 1 0 390.503 4.093 20 0 GIADRO Cc1[nH]c(-c2cccc(C)c2)nc1C(=O)Nc1ccc(OCC[NH+](C)C)cc1F ZINC000413903462 823863550 /nfs/dbraw/zinc/86/35/50/823863550.db2.gz QXCFSKJEEVZCDD-UHFFFAOYSA-N 1 0 396.466 4.025 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)c2ccc(N3CCCCC3)cc2)c(F)c1 ZINC000413903178 823863672 /nfs/dbraw/zinc/86/36/72/823863672.db2.gz QLZVVRZCKMTGHM-UHFFFAOYSA-N 1 0 385.483 4.009 20 0 GIADRO CC(C)Oc1ccc(C(=O)Nc2ccc(OCC[NH+](C)C)cc2F)c(Cl)c1 ZINC000413916712 823865610 /nfs/dbraw/zinc/86/56/10/823865610.db2.gz PKYYPXZZLYZVNS-UHFFFAOYSA-N 1 0 394.874 4.459 20 0 GIADRO CC[C@H](CNC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1)CC(F)(F)F ZINC000413921075 823866687 /nfs/dbraw/zinc/86/66/87/823866687.db2.gz VCSKEQBOUJRQHZ-DLBZAZTESA-N 1 0 377.495 4.119 20 0 GIADRO COC(=O)c1cccc(NC2CC[NH+](Cc3ccc(OC(F)F)cc3)CC2)c1 ZINC000574944055 823867596 /nfs/dbraw/zinc/86/75/96/823867596.db2.gz AAGMCWFRVBHTED-UHFFFAOYSA-N 1 0 390.430 4.151 20 0 GIADRO CC(C)(C)N(Cc1ccccc1)C(=O)C[NH2+][C@H](c1ccccc1)C(C)(C)CO ZINC000574945978 823868462 /nfs/dbraw/zinc/86/84/62/823868462.db2.gz KAXNOTDDUSNWAJ-JOCHJYFZSA-N 1 0 382.548 4.163 20 0 GIADRO Cc1nc(C(F)(F)F)sc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000462202271 823868449 /nfs/dbraw/zinc/86/84/49/823868449.db2.gz GLPIVFYYAITAGN-IUODEOHRSA-N 1 0 397.466 4.253 20 0 GIADRO CCC(CC)C(=O)N1CCC([NH2+][C@H](C)c2ccc(-n3ccnc3C)cc2)CC1 ZINC000166066258 823869099 /nfs/dbraw/zinc/86/90/99/823869099.db2.gz VUOOWZDPHJEZHP-QGZVFWFLSA-N 1 0 382.552 4.259 20 0 GIADRO CCC(CC)C(=O)N1CCC([NH2+][C@H](C)c2ccc(SC)c(OC)c2)CC1 ZINC000166082836 823869622 /nfs/dbraw/zinc/86/96/22/823869622.db2.gz QGIQWWNJLBSJSW-OAHLLOKOSA-N 1 0 378.582 4.495 20 0 GIADRO CCOc1c(Cl)cc(C[NH2+]C2CCN(c3nc(C)cs3)CC2)cc1OC ZINC000166126438 823870094 /nfs/dbraw/zinc/87/00/94/823870094.db2.gz GPAXAKCACVXHGA-UHFFFAOYSA-N 1 0 395.956 4.271 20 0 GIADRO c1cn(Cc2ccccc2)c(CC[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)n1 ZINC000166106284 823870112 /nfs/dbraw/zinc/87/01/12/823870112.db2.gz NUAAYNZMNMMTNU-FYYLOGMGSA-N 1 0 375.516 4.231 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)c1c[nH]cc1-c1ccc(C)s1 ZINC000413934304 823870256 /nfs/dbraw/zinc/87/02/56/823870256.db2.gz AKCCMAPSPVZYEG-UHFFFAOYSA-N 1 0 399.516 4.253 20 0 GIADRO Cc1noc(C)c1CCC[NH2+][C@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000166142382 823870497 /nfs/dbraw/zinc/87/04/97/823870497.db2.gz OOHZUUKVCPAALJ-GFCCVEGCSA-N 1 0 383.414 4.250 20 0 GIADRO O=C1CCCN1Cc1cccc(C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)c1 ZINC000166143205 823870548 /nfs/dbraw/zinc/87/05/48/823870548.db2.gz MXXXXFACRGDHDS-FYYLOGMGSA-N 1 0 378.516 4.067 20 0 GIADRO COCCOc1cccc(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)c1 ZINC000064720324 823870973 /nfs/dbraw/zinc/87/09/73/823870973.db2.gz WPGXWFIKGWKJGG-LJQANCHMSA-N 1 0 396.531 4.016 20 0 GIADRO Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000064726342 823872432 /nfs/dbraw/zinc/87/24/32/823872432.db2.gz YAGFJLHQQDDYII-VWKPWSFCSA-N 1 0 398.526 4.106 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)CC(=O)Nc2cc(Cl)ccc2OC)C12CCC2 ZINC000166228248 823872880 /nfs/dbraw/zinc/87/28/80/823872880.db2.gz ZQAUWRLRMBZHRV-DOPJRALCSA-N 1 0 380.916 4.003 20 0 GIADRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1coc(Br)c1 ZINC000126461481 823873552 /nfs/dbraw/zinc/87/35/52/823873552.db2.gz HPUJYFBSYXIFGU-UHFFFAOYSA-N 1 0 395.322 4.152 20 0 GIADRO O=C1CCCCN1c1ccc(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)cc1 ZINC000166275698 823873918 /nfs/dbraw/zinc/87/39/18/823873918.db2.gz SJTQZZGILCCNPJ-REWPJTCUSA-N 1 0 378.516 4.461 20 0 GIADRO Fc1ccc(-n2cc(C[NH2+][C@H]3c4ccccc4CC34CCOCC4)cn2)cc1 ZINC000574964454 823873972 /nfs/dbraw/zinc/87/39/72/823873972.db2.gz IXNPEXWQDWKUGM-QFIPXVFZSA-N 1 0 377.463 4.195 20 0 GIADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000064735622 823875302 /nfs/dbraw/zinc/87/53/02/823875302.db2.gz BKXXTKUMLOGAFX-QLFBSQMISA-N 1 0 385.335 4.236 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)C(=O)Nc1cccc(Cl)c1 ZINC000192138934 823876213 /nfs/dbraw/zinc/87/62/13/823876213.db2.gz WICYLRAZDLPQMD-UZCIPKQKSA-N 1 0 380.822 4.065 20 0 GIADRO O=c1ccccn1Cc1ccc(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)cc1 ZINC000166358218 823876355 /nfs/dbraw/zinc/87/63/55/823876355.db2.gz BGHAKOSZIFGZFE-LADGPHEKSA-N 1 0 388.511 4.154 20 0 GIADRO CN1CCC[C@H]1C[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000166404900 823877298 /nfs/dbraw/zinc/87/72/98/823877298.db2.gz JPMQVJQJJYMPAM-KRWDZBQOSA-N 1 0 392.330 4.430 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1ccc(SCC(F)F)cc1 ZINC000166465314 823878084 /nfs/dbraw/zinc/87/80/84/823878084.db2.gz CRKUYYWAZFPINC-GOEBONIOSA-N 1 0 380.508 4.097 20 0 GIADRO Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+][C@H]1CCCN(c2cnn(C)c2)C1 ZINC000166485941 823878438 /nfs/dbraw/zinc/87/84/38/823878438.db2.gz WADIKMKTOLUZDX-ZBFHGGJFSA-N 1 0 399.539 4.311 20 0 GIADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCC(F)(F)c2ccccc2)C1 ZINC000462221387 823878709 /nfs/dbraw/zinc/87/87/09/823878709.db2.gz CMMYENFCUAXGJS-ROUUACIJSA-N 1 0 379.495 4.074 20 0 GIADRO O=C(NC[C@@H](Cc1ccccc1)C(F)(F)F)N1CCC([NH+]2CCCCC2)CC1 ZINC000462220179 823878803 /nfs/dbraw/zinc/87/88/03/823878803.db2.gz CVABLYRIBKYTOF-GOSISDBHSA-N 1 0 397.485 4.068 20 0 GIADRO O=C(c1ccccc1-c1ncc(-c2ccccc2F)o1)N1CCC2(CC[NH2+]2)CC1 ZINC000574981518 823879159 /nfs/dbraw/zinc/87/91/59/823879159.db2.gz MHCVLSNCRBPEBB-UHFFFAOYSA-N 1 0 391.446 4.116 20 0 GIADRO O=C(NC[C@@H](Cc1ccccc1)C(F)(F)F)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000462222082 823879350 /nfs/dbraw/zinc/87/93/50/823879350.db2.gz BRBHRQHRKPFGKW-MOPGFXCFSA-N 1 0 397.485 4.068 20 0 GIADRO O=C(NC[C@@H](Cc1ccccc1)C(F)(F)F)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000462225797 823881442 /nfs/dbraw/zinc/88/14/42/823881442.db2.gz OLBUDDUHVNAEHP-MOPGFXCFSA-N 1 0 397.485 4.068 20 0 GIADRO C[C@@H](NC(=O)N(CC[NH+](C)C)C1CCCC1)c1nc(-c2ccccc2)cs1 ZINC000126489697 823881943 /nfs/dbraw/zinc/88/19/43/823881943.db2.gz CRBOXLDTWKVXJJ-MRXNPFEDSA-N 1 0 386.565 4.387 20 0 GIADRO CCCCCOc1ccc([C@H](C)[NH2+]C[C@H]2CC3(CCC3)C(=O)O2)cc1OC ZINC000192151448 823882060 /nfs/dbraw/zinc/88/20/60/823882060.db2.gz LVOTYDVNYUGTTM-FUHWJXTLSA-N 1 0 375.509 4.401 20 0 GIADRO COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]C[C@H]2CC3(CCC3)C(=O)O2)cc1 ZINC000192153937 823882343 /nfs/dbraw/zinc/88/23/43/823882343.db2.gz SXLGNFOWKUVRSX-NHCUHLMSSA-N 1 0 383.463 4.194 20 0 GIADRO Cc1cccc([C@@H]2CCCN2C(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)n1 ZINC000166734596 823882405 /nfs/dbraw/zinc/88/24/05/823882405.db2.gz UJYCPTIHRBCWFN-KNQAVFIVSA-N 1 0 381.495 4.105 20 0 GIADRO Cc1nc(-c2ccccc2)c(-c2nc([C@@H]3C[N@@H+]4CCC[C@@]4(C)CO3)no2)s1 ZINC000574997281 823882785 /nfs/dbraw/zinc/88/27/85/823882785.db2.gz NJFVIUMOHQCRFK-YWZLYKJASA-N 1 0 382.489 4.094 20 0 GIADRO C[NH+](C)C[C@@H](NC(=O)c1ccc(N2CCCC2)c(F)c1)c1ccc(Cl)cc1 ZINC000574998242 823883387 /nfs/dbraw/zinc/88/33/87/823883387.db2.gz PBFKZKGKGNFLLC-LJQANCHMSA-N 1 0 389.902 4.112 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000126495066 823883769 /nfs/dbraw/zinc/88/37/69/823883769.db2.gz YUINWZIYRSSHQP-UHFFFAOYSA-N 1 0 395.400 4.228 20 0 GIADRO Cc1nccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(OC(F)(F)F)cc2)cn1 ZINC000126498482 823884800 /nfs/dbraw/zinc/88/48/00/823884800.db2.gz YAKQRKGWWVREKP-ZDUSSCGKSA-N 1 0 376.382 4.325 20 0 GIADRO CCOCCOc1cc(C)ccc1C[NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000167155173 823887608 /nfs/dbraw/zinc/88/76/08/823887608.db2.gz QNNXZBHQBNNEJW-LJQANCHMSA-N 1 0 396.531 4.388 20 0 GIADRO c1ccc(COc2ccc(C[NH+]3CCC(c4noc(C5CC5)n4)CC3)cc2)nc1 ZINC000462235380 823887945 /nfs/dbraw/zinc/88/79/45/823887945.db2.gz OZMQVYGCZKJDRN-UHFFFAOYSA-N 1 0 390.487 4.301 20 0 GIADRO Cc1ccc(C[NH2+][C@H](C)c2ccc3c(c2)OCCCO3)c(OC[C@H]2CCOC2)c1 ZINC000167186937 823888337 /nfs/dbraw/zinc/88/83/37/823888337.db2.gz AUGRYXYPAIRAMT-MOPGFXCFSA-N 1 0 397.515 4.422 20 0 GIADRO CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000414013330 823889529 /nfs/dbraw/zinc/88/95/29/823889529.db2.gz GOOWVCUCBJDDEN-GOSISDBHSA-N 1 0 395.547 4.244 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1cccc(-c2ccoc2)c1 ZINC000126522260 823890122 /nfs/dbraw/zinc/89/01/22/823890122.db2.gz CDEVHRUBRLHQDU-UHFFFAOYSA-N 1 0 375.472 4.330 20 0 GIADRO CC(C)c1ccc2c(c1)[C@H]([NH2+]Cc1cccnc1N1CCOCC1)CCCO2 ZINC000126524866 823890420 /nfs/dbraw/zinc/89/04/20/823890420.db2.gz CKJFEENYHGQQKU-OAQYLSRUSA-N 1 0 381.520 4.045 20 0 GIADRO CCN(CC)[C@@H](C[NH2+]Cc1ccccc1N1CCO[C@@H](C)C1)c1ccsc1 ZINC000575023414 823891113 /nfs/dbraw/zinc/89/11/13/823891113.db2.gz GENPJISEQZCRFR-AVRDEDQJSA-N 1 0 387.593 4.146 20 0 GIADRO O=C(c1cc2sccc2[nH]1)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000192175086 823891515 /nfs/dbraw/zinc/89/15/15/823891515.db2.gz NIZASSWPQOSEON-PXNSSMCTSA-N 1 0 379.529 4.356 20 0 GIADRO O=C(CC1CC[NH2+]CC1)Nc1ccc(Oc2cccc(F)c2)c2ccncc12 ZINC000167442313 823892000 /nfs/dbraw/zinc/89/20/00/823892000.db2.gz TZTISANULRJDMR-UHFFFAOYSA-N 1 0 379.435 4.494 20 0 GIADRO O=C(NCC[C@@H]1CCC[NH2+]C1)NC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000575027391 823892236 /nfs/dbraw/zinc/89/22/36/823892236.db2.gz MCKLUDCPAOWTIS-LBPRGKRZSA-N 1 0 389.849 4.037 20 0 GIADRO COC(=O)c1ccc(CNc2ccc(C)cc2C[NH+](C)C)c(Br)c1 ZINC000575030259 823893559 /nfs/dbraw/zinc/89/35/59/823893559.db2.gz NHBICPDXWCEAFI-UHFFFAOYSA-N 1 0 391.309 4.218 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccc(C)cc2OC(C)C)cc1 ZINC000167697027 823894779 /nfs/dbraw/zinc/89/47/79/823894779.db2.gz AECWETAEYBVCAX-QGZVFWFLSA-N 1 0 390.549 4.395 20 0 GIADRO COc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CCC(O)CC1)CC2 ZINC000167787213 823895386 /nfs/dbraw/zinc/89/53/86/823895386.db2.gz VLZRZWHHVVZZSZ-NYHFZMIOSA-N 1 0 384.495 4.134 20 0 GIADRO C[C@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1cccc(Br)c1 ZINC000462246947 823895724 /nfs/dbraw/zinc/89/57/24/823895724.db2.gz NARGQCYTXXBRKW-QOKNQOGYSA-N 1 0 391.353 4.028 20 0 GIADRO C[C@@H]([NH2+]C1CCN(c2ccccc2)CC1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000167811388 823895958 /nfs/dbraw/zinc/89/59/58/823895958.db2.gz GXROASKMNZHNKV-GOSISDBHSA-N 1 0 397.538 4.106 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(C)c(C(C)=O)c1)c1cccc(OC)c1 ZINC000575037362 823897209 /nfs/dbraw/zinc/89/72/09/823897209.db2.gz GIEWGSCZWATFBI-JOCHJYFZSA-N 1 0 382.504 4.019 20 0 GIADRO COC(=O)c1cnc([C@H](C)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)s1 ZINC000414057067 823897285 /nfs/dbraw/zinc/89/72/85/823897285.db2.gz FDQTZMFUSSKCLZ-INIZCTEOSA-N 1 0 387.549 4.012 20 0 GIADRO FC(F)(F)c1ccc(Cl)c(C2([NH2+]C3CCN(c4cnccn4)CC3)CC2)c1 ZINC000575040585 823897674 /nfs/dbraw/zinc/89/76/74/823897674.db2.gz ZEQTVDAMOWDOQZ-UHFFFAOYSA-N 1 0 396.844 4.397 20 0 GIADRO Cn1ncc2c1CCC[C@H]2[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000167905218 823897980 /nfs/dbraw/zinc/89/79/80/823897980.db2.gz AYIALGCMWKPVMY-LJQANCHMSA-N 1 0 393.362 4.359 20 0 GIADRO Cn1ncc2c1CCC[C@@H]2[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000167905327 823898276 /nfs/dbraw/zinc/89/82/76/823898276.db2.gz AYIALGCMWKPVMY-IBGZPJMESA-N 1 0 393.362 4.359 20 0 GIADRO CCOc1ccccc1Oc1ccc(C[NH2+][C@H](C)Cc2ccc(OC)nc2)cn1 ZINC000414063239 823899059 /nfs/dbraw/zinc/89/90/59/823899059.db2.gz DLLIOVWIFMZJHY-QGZVFWFLSA-N 1 0 393.487 4.397 20 0 GIADRO CC(C)(C)O[C@@H]1C[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3F)CC2)C1(C)C ZINC000414067575 823900473 /nfs/dbraw/zinc/90/04/73/823900473.db2.gz QGGUNVCMEGQLPC-RTBURBONSA-N 1 0 376.516 4.002 20 0 GIADRO C[C@@H]([NH2+]Cc1ccnc(OC2CCC(C)CC2)c1)c1ccc(-n2cncn2)cc1 ZINC000168150252 823900543 /nfs/dbraw/zinc/90/05/43/823900543.db2.gz ZQFFHOXJUNCXES-WUZYXKQASA-N 1 0 391.519 4.471 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(OCC(=O)NC3CC3)cc2)c(C)c1 ZINC000414070965 823901568 /nfs/dbraw/zinc/90/15/68/823901568.db2.gz LMWUTQHJBQBJGP-DLBZAZTESA-N 1 0 382.504 4.073 20 0 GIADRO CC(C)CC(=O)Nc1cccc(CNC(=O)c2cccc(C[NH+]3CCCC3)c2)c1 ZINC000064879036 823905476 /nfs/dbraw/zinc/90/54/76/823905476.db2.gz QIVXWNIFPQLIFX-UHFFFAOYSA-N 1 0 393.531 4.197 20 0 GIADRO CCOc1cc(C[NH2+][C@@H](C)c2ccc(OCc3nccn3C)cc2)ccc1OC ZINC000168804915 823906384 /nfs/dbraw/zinc/90/63/84/823906384.db2.gz YKGZGJZAISQISD-KRWDZBQOSA-N 1 0 395.503 4.257 20 0 GIADRO Brc1cccc([C@H]([NH2+][C@@H]2CCc3n[nH]cc3C2)c2ccccc2)c1 ZINC000414090106 823907193 /nfs/dbraw/zinc/90/71/93/823907193.db2.gz KOFAANNEDKDNDK-UYAOXDASSA-N 1 0 382.305 4.409 20 0 GIADRO COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)cn1 ZINC000414099622 823909245 /nfs/dbraw/zinc/90/92/45/823909245.db2.gz KSVLVYUOKNUJKB-AVBTWRTFSA-N 1 0 391.918 4.096 20 0 GIADRO C[C@@H]([NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1)[C@@H]1COc2ccccc21 ZINC000169179605 823909417 /nfs/dbraw/zinc/90/94/17/823909417.db2.gz WHHOLDLVCPYJLF-DYVFJYSZSA-N 1 0 380.469 4.193 20 0 GIADRO CC(C)N1CC[C@H]([NH2+][C@@H](C)c2cc3n(n2)CCC3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000414101151 823910121 /nfs/dbraw/zinc/91/01/21/823910121.db2.gz SSQHRJPGDXURTB-ONTRVFCTSA-N 1 0 390.934 4.496 20 0 GIADRO CCC(=O)N1CC[C@H]([NH2+][C@H](c2ccccc2)c2cccc(Br)c2)C1 ZINC000414103326 823910271 /nfs/dbraw/zinc/91/02/71/823910271.db2.gz UJEKVJUEGMCCCI-AZUAARDMSA-N 1 0 387.321 4.139 20 0 GIADRO O=C1[C@H]([NH2+][C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)CCCN1Cc1ccccn1 ZINC000414113397 823912377 /nfs/dbraw/zinc/91/23/77/823912377.db2.gz RTCWHTBQEJXFIV-YFVAEKQCSA-N 1 0 383.923 4.152 20 0 GIADRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1sc(COc2ccc(F)cc2)nc1C ZINC000575101598 823912814 /nfs/dbraw/zinc/91/28/14/823912814.db2.gz STTSTYDYTAZGAF-AWEZNQCLSA-N 1 0 393.528 4.020 20 0 GIADRO COc1ccc([C@H](C)[NH2+]C[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2)c(C)c1 ZINC000414118000 823913513 /nfs/dbraw/zinc/91/35/13/823913513.db2.gz UDJNSUVEZLVWPK-ROUUACIJSA-N 1 0 384.520 4.198 20 0 GIADRO C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000575103209 823913642 /nfs/dbraw/zinc/91/36/42/823913642.db2.gz IVULZRJHGBZZJZ-QRQLOZEOSA-N 1 0 397.485 4.271 20 0 GIADRO CC(C)NC(=O)c1ccccc1NC(=O)C[NH2+][C@@H](c1ccccc1)C(C)(C)C ZINC000064933029 823913711 /nfs/dbraw/zinc/91/37/11/823913711.db2.gz DLJVGAOHSVMRRE-NRFANRHFSA-N 1 0 381.520 4.140 20 0 GIADRO CC(=O)NCCc1ccc([C@@H](C)[NH2+]CCc2cccc(Br)c2)cc1 ZINC000414125148 823914890 /nfs/dbraw/zinc/91/48/90/823914890.db2.gz MIHOLTOXGNZSDI-OAHLLOKOSA-N 1 0 389.337 4.021 20 0 GIADRO COc1cccc(Oc2ncccc2C[NH2+][C@@H](C)Cc2ccc(OC)nc2)c1 ZINC000414128337 823915226 /nfs/dbraw/zinc/91/52/26/823915226.db2.gz TVAFSZKTBSDQBW-INIZCTEOSA-N 1 0 379.460 4.007 20 0 GIADRO Cc1ccc(C[NH2+][C@@H]2CC[C@H](c3cccc(Cl)c3)C2)cc1S(C)(=O)=O ZINC000414127227 823915426 /nfs/dbraw/zinc/91/54/26/823915426.db2.gz FZDQDHTYWRHJEI-PKOBYXMFSA-N 1 0 377.937 4.478 20 0 GIADRO CC(C)(C)S(=O)(=O)N1CCC([NH2+][C@H]2CC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000414128309 823915457 /nfs/dbraw/zinc/91/54/57/823915457.db2.gz GWXHQXRZHUWTSR-APWZRJJASA-N 1 0 399.000 4.158 20 0 GIADRO CCCc1c(NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cnn1-c1ccc(F)cc1 ZINC000575113587 823915746 /nfs/dbraw/zinc/91/57/46/823915746.db2.gz NDNBTLVHYFONTO-LJQANCHMSA-N 1 0 399.514 4.056 20 0 GIADRO Cc1ccc([C@H]([NH2+][C@H]2C[C@@H](OC(C)C)C2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000414142304 823917684 /nfs/dbraw/zinc/91/76/84/823917684.db2.gz KLLQVSHLNXPLNV-VWPQPMDRSA-N 1 0 387.545 4.034 20 0 GIADRO C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H](Cc2ccccc2C(F)(F)F)C(C)(C)C)C1 ZINC000462305458 823918236 /nfs/dbraw/zinc/91/82/36/823918236.db2.gz KGAYPHXXOULTNJ-MAUKXSAKSA-N 1 0 399.501 4.256 20 0 GIADRO COC(=O)c1cnc([C@@H](C)[NH2+][C@H]2C[C@H](c3ccc(Br)cc3)C2)s1 ZINC000414143501 823918451 /nfs/dbraw/zinc/91/84/51/823918451.db2.gz NNDMTLUFYNSKIL-MPKXVKKWSA-N 1 0 395.322 4.289 20 0 GIADRO CC(C)Oc1cccc(C[NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)c1 ZINC000126646702 823918968 /nfs/dbraw/zinc/91/89/68/823918968.db2.gz CEWWRRGHKLMOPB-RTBURBONSA-N 1 0 396.531 4.013 20 0 GIADRO CC[C@@H](C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccc(F)cc1 ZINC000126665625 823922246 /nfs/dbraw/zinc/92/22/46/823922246.db2.gz LQHREXJUKCHKBX-JOCHJYFZSA-N 1 0 384.495 4.162 20 0 GIADRO Cc1ccc(-c2cnc(-c3ccccc3C(=O)NC[C@@H](C3CC3)[NH+](C)C)o2)cc1 ZINC000065007267 823923177 /nfs/dbraw/zinc/92/31/77/823923177.db2.gz IOTWXBOEVWTMBB-NRFANRHFSA-N 1 0 389.499 4.387 20 0 GIADRO C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)N1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000575146984 823923584 /nfs/dbraw/zinc/92/35/84/823923584.db2.gz LEVAOIPECMZIHU-MDASCCDHSA-N 1 0 389.927 4.248 20 0 GIADRO C[C@@H](N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1cc(F)ccc1F ZINC000126672415 823923809 /nfs/dbraw/zinc/92/38/09/823923809.db2.gz GTHCFVJFHYTGMZ-HUUCEWRRSA-N 1 0 377.454 4.268 20 0 GIADRO Cc1nc(COc2ccc(C[NH2+]Cc3ccc4[nH]c(C)c(C)c4c3)cc2)no1 ZINC000065013494 823924082 /nfs/dbraw/zinc/92/40/82/823924082.db2.gz SYQFQCOKHIIAQY-UHFFFAOYSA-N 1 0 376.460 4.345 20 0 GIADRO COc1ccc([C@H](CO)C[NH2+][C@H](C)c2sc(Cc3ccccc3)nc2C)cc1 ZINC000414184774 823924516 /nfs/dbraw/zinc/92/45/16/823924516.db2.gz OHJWXQOUUWTNBH-UZLBHIALSA-N 1 0 396.556 4.478 20 0 GIADRO COc1ccc(OC)c(C[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c1 ZINC000065014687 823924622 /nfs/dbraw/zinc/92/46/22/823924622.db2.gz GQRKETRGALZRBH-UHFFFAOYSA-N 1 0 391.393 4.198 20 0 GIADRO COc1ccc(CCC(=O)N2CCC[N@@H+]([C@H](C)c3cccc(F)c3)CC2)cc1 ZINC000170646369 823924637 /nfs/dbraw/zinc/92/46/37/823924637.db2.gz VQRYXMJPXJBWSY-GOSISDBHSA-N 1 0 384.495 4.062 20 0 GIADRO C[N@@H+]1CCCN(C(=O)N[C@@H](Cc2ccccc2C(F)(F)F)C(C)(C)C)CC1 ZINC000462324741 823924725 /nfs/dbraw/zinc/92/47/25/823924725.db2.gz FVBOGTBLRUOGIH-KRWDZBQOSA-N 1 0 385.474 4.010 20 0 GIADRO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]C[C@@H]1CCC[C@@H]1C1CC1 ZINC000414187090 823924984 /nfs/dbraw/zinc/92/49/84/823924984.db2.gz HZIBFSOSJCREKR-FYINFDKHSA-N 1 0 383.536 4.168 20 0 GIADRO C[C@@H]1C[C@@H](N[C@@H](c2nccn2C)c2ccccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000575152194 823925277 /nfs/dbraw/zinc/92/52/77/823925277.db2.gz NXVYUJFNYNPUOF-QMHWCDLVSA-N 1 0 392.522 4.291 20 0 GIADRO Cc1cc(NC(=O)[C@H](C)[N@H+](C)CCCCCc2cc(-c3ccccc3)no2)on1 ZINC000170648609 823926350 /nfs/dbraw/zinc/92/63/50/823926350.db2.gz BNIDBEHXSUKBNX-KRWDZBQOSA-N 1 0 396.491 4.310 20 0 GIADRO COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000575158718 823926985 /nfs/dbraw/zinc/92/69/85/823926985.db2.gz LYSWQBILOIDYLL-LVCYWYKZSA-N 1 0 395.547 4.453 20 0 GIADRO COCC[C@@H](C)C[NH2+][C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414200140 823926959 /nfs/dbraw/zinc/92/69/59/823926959.db2.gz LNANNVIXXPXXNJ-NEPJUHHUSA-N 1 0 380.838 4.338 20 0 GIADRO CC[C@@H](Sc1ccccc1)C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000126689620 823927908 /nfs/dbraw/zinc/92/79/08/823927908.db2.gz AEKSTDGYSFWXPD-OAQYLSRUSA-N 1 0 383.561 4.327 20 0 GIADRO CC(=O)Nc1ccc(CC[NH2+][C@H](C)c2ccc(Br)cc2F)cc1 ZINC000126690608 823928178 /nfs/dbraw/zinc/92/81/78/823928178.db2.gz FPEOFXSYIAWVAA-GFCCVEGCSA-N 1 0 379.273 4.440 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H]2CCc3cc(F)c(OC)cc32)c1 ZINC000414206469 823928514 /nfs/dbraw/zinc/92/85/14/823928514.db2.gz FGEXBMIRNVSVGJ-GOSISDBHSA-N 1 0 397.899 4.058 20 0 GIADRO Cc1c(C(=O)N(C)C2CC[NH+](C3CCOCC3)CC2)sc2cccc(F)c12 ZINC000065039181 823928702 /nfs/dbraw/zinc/92/87/02/823928702.db2.gz BDDIDHWALFNKJN-UHFFFAOYSA-N 1 0 390.524 4.064 20 0 GIADRO C[C@H](Cc1ccccc1)n1cccc1-c1nc([C@@H]2C[N@@H+]3CCC[C@]3(C)CO2)no1 ZINC000575162919 823928787 /nfs/dbraw/zinc/92/87/87/823928787.db2.gz OXCCFRNKKHWIEB-DHJUGAMNSA-N 1 0 392.503 4.268 20 0 GIADRO CC[C@H](C)[C@@H]1CN(CCCc2ccncc2)CC[N@@H+]1CCCc1ccncc1 ZINC000462335086 823928856 /nfs/dbraw/zinc/92/88/56/823928856.db2.gz SOHUHOJWBMMKTO-URXFXBBRSA-N 1 0 380.580 4.074 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]C2CC(c3ccccc3F)C2)c1 ZINC000414208066 823928976 /nfs/dbraw/zinc/92/89/76/823928976.db2.gz IOBQGUATRDUNAM-UHFFFAOYSA-N 1 0 381.900 4.309 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000414208754 823929216 /nfs/dbraw/zinc/92/92/16/823929216.db2.gz JGVUVDHDROJKOR-TZMCWYRMSA-N 1 0 383.863 4.344 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H]2CCCc3cc(F)ccc32)c1 ZINC000414208787 823929322 /nfs/dbraw/zinc/92/93/22/823929322.db2.gz JPHUSNJUQIGWGN-LJQANCHMSA-N 1 0 381.900 4.440 20 0 GIADRO O=C1C[C@@H](C[NH2+][C@@H](Cc2cccc(F)c2)c2ccc(Cl)c(Cl)c2)CN1 ZINC000414212616 823930143 /nfs/dbraw/zinc/93/01/43/823930143.db2.gz WZXJNWORMZAWOG-UGSOOPFHSA-N 1 0 381.278 4.142 20 0 GIADRO COc1cc([C@@H](C)[NH2+]Cc2ccc(C)c3ccccc23)ccc1S(C)(=O)=O ZINC000414212680 823930215 /nfs/dbraw/zinc/93/02/15/823930215.db2.gz RMFAYOHWWPJMPU-MRXNPFEDSA-N 1 0 383.513 4.411 20 0 GIADRO Cc1nc(CC(C)C)sc1C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000126701256 823930528 /nfs/dbraw/zinc/93/05/28/823930528.db2.gz FFANAECLBCYWLA-UHFFFAOYSA-N 1 0 386.565 4.034 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H]2CCCc3ccc(F)cc32)c1 ZINC000414213752 823930961 /nfs/dbraw/zinc/93/09/61/823930961.db2.gz ULBDYTVWHVTNHM-LJQANCHMSA-N 1 0 381.900 4.440 20 0 GIADRO CC[C@@H]([NH2+][C@H](C)CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)c1ccccc1 ZINC000414226257 823933477 /nfs/dbraw/zinc/93/34/77/823933477.db2.gz UKQGOTURHJPLLY-IIBYNOLFSA-N 1 0 379.504 4.493 20 0 GIADRO C[C@@H](OC[C@H](O)C[NH2+]C1(c2nccs2)CCCC1)c1ccc(Cl)cc1 ZINC000126713745 823933784 /nfs/dbraw/zinc/93/37/84/823933784.db2.gz YBYORPUUVSEOMQ-RHSMWYFYSA-N 1 0 380.941 4.294 20 0 GIADRO CC(C)c1[nH+]c(CNCc2cc3c(cc2OC(F)F)OCO3)c2ccccn21 ZINC000575186850 823933802 /nfs/dbraw/zinc/93/38/02/823933802.db2.gz XRDGRZMUXVFXPY-UHFFFAOYSA-N 1 0 389.402 4.078 20 0 GIADRO CC(C)(CNC(=O)Nc1c(F)cc(F)cc1Br)[NH+]1CCCCC1 ZINC000192288545 823935175 /nfs/dbraw/zinc/93/51/75/823935175.db2.gz QCKMKMAWJUKAKH-UHFFFAOYSA-N 1 0 390.272 4.113 20 0 GIADRO Cc1ccc([C@H]([NH2+][C@@H]2CS[C@@H](C)C2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000414233953 823935304 /nfs/dbraw/zinc/93/53/04/823935304.db2.gz RRLOKZFDNNROCT-DJPFJPOOSA-N 1 0 389.586 4.280 20 0 GIADRO CC(C)CN(C(=O)c1ccc(CC[NH+](C)C)cc1)[C@@H]1CCCc2cccnc21 ZINC000575194890 823935594 /nfs/dbraw/zinc/93/55/94/823935594.db2.gz VTGZDCNTVLERBN-JOCHJYFZSA-N 1 0 379.548 4.362 20 0 GIADRO Fc1ccc(-c2nc(CN3CC[NH+](CCCc4ccncc4)CC3)cs2)cc1 ZINC000462352881 823936939 /nfs/dbraw/zinc/93/69/39/823936939.db2.gz JQCCDXBRBVCZIQ-UHFFFAOYSA-N 1 0 396.535 4.095 20 0 GIADRO CC(=O)c1c(C)[nH]c(C(=O)Nc2ccccc2NC2CC[NH+](C)CC2)c1C(C)C ZINC000126730796 823937548 /nfs/dbraw/zinc/93/75/48/823937548.db2.gz FSUIXBWLAZCXJJ-UHFFFAOYSA-N 1 0 396.535 4.408 20 0 GIADRO CCOC(=O)c1ccc2c(c1)nc(C[N@H+](C)[C@@H](C)Cc1ccc(O)cc1)n2CC ZINC000575212819 823940411 /nfs/dbraw/zinc/94/04/11/823940411.db2.gz IRLHFZVURWWYQJ-INIZCTEOSA-N 1 0 395.503 4.002 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@H](C)c2ccccc2OC(F)(F)F)cn1 ZINC000414248930 823940524 /nfs/dbraw/zinc/94/05/24/823940524.db2.gz PWJKAFGYUVNNAG-QWQRMKEZSA-N 1 0 383.414 4.230 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)c2cnc(-c3ccccc3Cl)s2)c1 ZINC000065099018 823942065 /nfs/dbraw/zinc/94/20/65/823942065.db2.gz LXMBUEGDGDGQIM-UHFFFAOYSA-N 1 0 385.920 4.455 20 0 GIADRO CC[C@](C)([NH2+]C[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1)c1nc(C)cs1 ZINC000126752682 823942321 /nfs/dbraw/zinc/94/23/21/823942321.db2.gz JYNZPKSJPZZWNO-FNHZYXHNSA-N 1 0 382.957 4.458 20 0 GIADRO O=C(NC[C@@H]1CCN(c2ccccc2F)C1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000462366522 823943477 /nfs/dbraw/zinc/94/34/77/823943477.db2.gz UBELYHNHAQCROO-FQEVSTJZSA-N 1 0 395.522 4.068 20 0 GIADRO Cc1oc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)nc1C1CC1 ZINC000575221585 823944124 /nfs/dbraw/zinc/94/41/24/823944124.db2.gz FVOKGUDMUFVFBW-WOJBJXKFSA-N 1 0 394.519 4.379 20 0 GIADRO CNC(=O)[C@H](CCSC)[NH2+][C@H](C)c1ccc(-c2c(F)cccc2F)cc1 ZINC000575222197 823944749 /nfs/dbraw/zinc/94/47/49/823944749.db2.gz UTZXWRIHNCIPLL-ACJLOTCBSA-N 1 0 378.488 4.150 20 0 GIADRO COc1ccc([C@H]([NH2+]CCC(C)(C)S(C)(=O)=O)c2ccccc2Cl)cc1 ZINC000414269685 823947899 /nfs/dbraw/zinc/94/78/99/823947899.db2.gz VJTVIIMFQBUTFQ-IBGZPJMESA-N 1 0 395.952 4.241 20 0 GIADRO Cc1nn(-c2cccc(F)c2)cc1C[NH2+]Cc1cccc(NC(=O)C2CCC2)c1 ZINC000414272403 823948826 /nfs/dbraw/zinc/94/88/26/823948826.db2.gz RQYJFADHBQONIE-UHFFFAOYSA-N 1 0 392.478 4.348 20 0 GIADRO Cc1cc(C)n(Cc2ccc(C(=O)N(CC[NH+]3CCCCCC3)C(C)C)cc2)n1 ZINC000575238899 823949216 /nfs/dbraw/zinc/94/92/16/823949216.db2.gz ZUHBLDNAGOUDCD-UHFFFAOYSA-N 1 0 396.579 4.275 20 0 GIADRO COc1cc(C)c([C@@H](C)[NH2+]Cc2cn(-c3cccc(F)c3)nc2C)cc1OC ZINC000414280331 823950370 /nfs/dbraw/zinc/95/03/70/823950370.db2.gz CRTRHEMFOHKPOZ-MRXNPFEDSA-N 1 0 383.467 4.496 20 0 GIADRO COc1cc(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)ccc1OCCC(C)C ZINC000575244966 823950587 /nfs/dbraw/zinc/95/05/87/823950587.db2.gz KFNFOJQERHJHBQ-UHFFFAOYSA-N 1 0 386.467 4.157 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@H]2CCN(C(=O)C3CCCC3)C2)cnn1-c1cc(C)ccc1C ZINC000126787165 823951083 /nfs/dbraw/zinc/95/10/83/823951083.db2.gz XPBNYEWPHLQDAN-RXVVDRJESA-N 1 0 394.563 4.239 20 0 GIADRO O=C(NCCCCOCc1ccccc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000065149881 823951470 /nfs/dbraw/zinc/95/14/70/823951470.db2.gz DUJKCCXBGDCYDV-QHCPKHFHSA-N 1 0 380.532 4.012 20 0 GIADRO COc1ccccc1-c1nc(C2CC[NH+](CCOc3ccccc3F)CC2)no1 ZINC000192338027 823951456 /nfs/dbraw/zinc/95/14/56/823951456.db2.gz IKLMQTLGAHBBEM-UHFFFAOYSA-N 1 0 397.450 4.143 20 0 GIADRO C[C@@H](C[NH2+][C@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1)CC(F)(F)F ZINC000414289867 823951876 /nfs/dbraw/zinc/95/18/76/823951876.db2.gz WINLDGYBCWKGCS-GHMZBOCLSA-N 1 0 386.336 4.480 20 0 GIADRO C[C@@H]([NH2+]C[C@H]1CCCN(Cc2cccs2)C1)c1ccc(N2CCOC2=O)cc1 ZINC000126791511 823952473 /nfs/dbraw/zinc/95/24/73/823952473.db2.gz ZSIBZASLDKMAAW-QZTJIDSGSA-N 1 0 399.560 4.268 20 0 GIADRO Cc1cc[n+](C(C(=O)c2ccccc2)C(=S)Nc2ccc(Cl)nc2)cc1 ZINC000170715596 823952496 /nfs/dbraw/zinc/95/24/96/823952496.db2.gz GTZBFJNKFKTYNP-UHFFFAOYSA-O 1 0 382.896 4.382 20 0 GIADRO CC(C)c1c(NC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cnn1-c1ccccc1 ZINC000192342030 823953199 /nfs/dbraw/zinc/95/31/99/823953199.db2.gz MFNFBPBKUCTGIN-LJQANCHMSA-N 1 0 395.551 4.335 20 0 GIADRO Cc1cc(C[NH2+][C@@H](CN2CCCC2=O)c2ccccc2)ccc1C(F)(F)F ZINC000414301721 823954169 /nfs/dbraw/zinc/95/41/69/823954169.db2.gz BSNHIHDXBPIMIT-IBGZPJMESA-N 1 0 376.422 4.467 20 0 GIADRO Cc1ccc(C[N@@H+](CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)C(C)C)s1 ZINC000065162624 823955600 /nfs/dbraw/zinc/95/56/00/823955600.db2.gz IPMIWMZEQOPGQR-HXUWFJFHSA-N 1 0 390.524 4.006 20 0 GIADRO Cc1noc(-c2ccccc2)c1NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000126805857 823955898 /nfs/dbraw/zinc/95/58/98/823955898.db2.gz PCOSCILXOKTQTJ-UHFFFAOYSA-N 1 0 391.475 4.083 20 0 GIADRO COCCCC[N@H+](CC(=O)Nc1cc(Cl)ccc1F)Cc1ccccc1 ZINC000065165563 823956463 /nfs/dbraw/zinc/95/64/63/823956463.db2.gz LXEVDJNXLIAWCW-UHFFFAOYSA-N 1 0 378.875 4.346 20 0 GIADRO Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000414315496 823956813 /nfs/dbraw/zinc/95/68/13/823956813.db2.gz SHTKXHQUISZOOX-AWEZNQCLSA-N 1 0 378.451 4.055 20 0 GIADRO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000192354349 823957237 /nfs/dbraw/zinc/95/72/37/823957237.db2.gz BSUVQAYUWLCCGY-GUYCJALGSA-N 1 0 388.895 4.357 20 0 GIADRO CCOc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@@H]2CCCc3c(O)cccc32)cc1 ZINC000192354594 823957248 /nfs/dbraw/zinc/95/72/48/823957248.db2.gz QVCCDPHWUUYDRH-YADHBBJMSA-N 1 0 394.515 4.122 20 0 GIADRO CC1CC[NH+](C2CCC(NC(=O)N3CC[C@@](F)(c4ccccc4)C3)CC2)CC1 ZINC000575334604 823957895 /nfs/dbraw/zinc/95/78/95/823957895.db2.gz XBIILJDNPFHWBZ-BBHUYCHWSA-N 1 0 387.543 4.310 20 0 GIADRO CS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(OC3CCCCC3)cc2)s1 ZINC000414321945 823958110 /nfs/dbraw/zinc/95/81/10/823958110.db2.gz RLMXSEKXFDMXAD-UHFFFAOYSA-N 1 0 379.547 4.153 20 0 GIADRO CC[C@@H]([NH2+]CC1(CS(C)(=O)=O)CCC1)c1ccc2cc(OC)ccc2c1 ZINC000414323035 823958399 /nfs/dbraw/zinc/95/83/99/823958399.db2.gz GNSPQTXTUKZGER-HXUWFJFHSA-N 1 0 375.534 4.104 20 0 GIADRO C[C@@H]([NH2+]CC1(CS(C)(=O)=O)CCC1)c1ccc2ccccc2c1OC(F)F ZINC000414322260 823958435 /nfs/dbraw/zinc/95/84/35/823958435.db2.gz FEGMOQAUXZFSTP-CQSZACIVSA-N 1 0 397.487 4.307 20 0 GIADRO CC(C)(C)[C@@H]1CC[N@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C[C@H]1O ZINC000575338160 823958651 /nfs/dbraw/zinc/95/86/51/823958651.db2.gz MHSQKTSBGDDWAO-TZIWHRDSSA-N 1 0 382.552 4.289 20 0 GIADRO Cc1cccc(COc2ccc([C@@H](C)[NH2+]Cc3cnc(N(C)C)n3C)cc2)c1 ZINC000414326108 823958649 /nfs/dbraw/zinc/95/86/49/823958649.db2.gz DORGQWIZGAUHPX-GOSISDBHSA-N 1 0 378.520 4.224 20 0 GIADRO O=C(NCc1ccco1)c1cccc(C[NH2+][C@@H]2CCCc3c(O)cccc32)c1 ZINC000192359372 823958965 /nfs/dbraw/zinc/95/89/65/823958965.db2.gz WQDPNUWGCWQYSU-OAQYLSRUSA-N 1 0 376.456 4.082 20 0 GIADRO O=C(NCc1ccco1)c1cccc(C[NH2+][C@H]2CCCc3c(O)cccc32)c1 ZINC000192359377 823958975 /nfs/dbraw/zinc/95/89/75/823958975.db2.gz WQDPNUWGCWQYSU-NRFANRHFSA-N 1 0 376.456 4.082 20 0 GIADRO OC[C@@H]1CCC[C@@H]([NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000414328790 823959191 /nfs/dbraw/zinc/95/91/91/823959191.db2.gz CPLWHGAMQYBRSW-NIKGAXFTSA-N 1 0 382.342 4.058 20 0 GIADRO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000192363709 823959478 /nfs/dbraw/zinc/95/94/78/823959478.db2.gz OPFAOPSZMLOYRN-HNAYVOBHSA-N 1 0 378.472 4.325 20 0 GIADRO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@H]1CCC[C@H](CO)C1 ZINC000414331386 823959960 /nfs/dbraw/zinc/95/99/60/823959960.db2.gz FJWHXGDAOUEMMX-DYEKYZERSA-N 1 0 392.849 4.217 20 0 GIADRO Cc1cc(OCCC[C@H](C)[NH2+]CC2(CS(C)(=O)=O)CCC2)ccc1Cl ZINC000414333197 823960466 /nfs/dbraw/zinc/96/04/66/823960466.db2.gz SRODQSYXYMHNKL-INIZCTEOSA-N 1 0 387.973 4.000 20 0 GIADRO C[C@@H]([NH2+]Cc1cc(Br)c2c(c1)OCCCO2)c1cccc(O)c1 ZINC000192367415 823960609 /nfs/dbraw/zinc/96/06/09/823960609.db2.gz KSQAOGKCVUOPOK-GFCCVEGCSA-N 1 0 378.266 4.167 20 0 GIADRO COc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H](C)Cc1cn(C)c2ccc(F)cc12 ZINC000414336006 823960717 /nfs/dbraw/zinc/96/07/17/823960717.db2.gz CLJODFCHLFCMTC-JKSUJKDBSA-N 1 0 397.494 4.264 20 0 GIADRO Cc1cc(Br)ccc1NC(=O)C[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000192368302 823960744 /nfs/dbraw/zinc/96/07/44/823960744.db2.gz KCRXFZNDFFLNNN-QGZVFWFLSA-N 1 0 389.293 4.069 20 0 GIADRO CSc1ccc([C@H](CNC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2F)[NH+](C)C)cc1 ZINC000575355350 823961112 /nfs/dbraw/zinc/96/11/12/823961112.db2.gz YBMVNWVBVGTDCR-HBFSDRIKSA-N 1 0 390.499 4.209 20 0 GIADRO CSc1ccc([C@H](CNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)[NH+](C)C)cc1 ZINC000575355351 823961607 /nfs/dbraw/zinc/96/16/07/823961607.db2.gz YBMVNWVBVGTDCR-NSHGMRRFSA-N 1 0 390.499 4.209 20 0 GIADRO OC[C@@H]1CCC[C@@H]([NH2+][C@@H](c2ccc(Br)o2)c2ccc(F)cc2)C1 ZINC000414348077 823962371 /nfs/dbraw/zinc/96/23/71/823962371.db2.gz WPHUXXKYDMATHG-CDHAZOANSA-N 1 0 382.273 4.411 20 0 GIADRO C[C@H](Cc1cn(C)c2ccc(F)cc12)[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000414348441 823962382 /nfs/dbraw/zinc/96/23/82/823962382.db2.gz OIMMAEFFTXCVCP-CVEARBPZSA-N 1 0 377.467 4.180 20 0 GIADRO C[C@H]([NH2+][C@H]1CCC[C@H](CO)C1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000414349480 823962743 /nfs/dbraw/zinc/96/27/43/823962743.db2.gz YCIMSNDLRGYBNG-BJLQDIEVSA-N 1 0 379.504 4.115 20 0 GIADRO O=C(CCc1cncc2ccccc21)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000462409397 823963426 /nfs/dbraw/zinc/96/34/26/823963426.db2.gz PIUFCJMQZGXRFJ-UHFFFAOYSA-N 1 0 379.548 4.472 20 0 GIADRO COc1cc(Br)ccc1C[NH2+]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000192375375 823964440 /nfs/dbraw/zinc/96/44/40/823964440.db2.gz QLHGECBVPWTLCX-LPHOPBHVSA-N 1 0 376.294 4.325 20 0 GIADRO Cn1c(C[NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)nc2cc(C(F)(F)F)ccc21 ZINC000192376395 823964968 /nfs/dbraw/zinc/96/49/68/823964968.db2.gz WIXNATIQVUNPJQ-YWZLYKJASA-N 1 0 389.421 4.460 20 0 GIADRO Cc1cc(CNc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)ccc1C(F)(F)F ZINC000414362437 823965415 /nfs/dbraw/zinc/96/54/15/823965415.db2.gz SORBSUSDLIGKCY-UHFFFAOYSA-N 1 0 393.409 4.095 20 0 GIADRO CCOCC[C@@H](O)C[NH2+][C@H](c1ccccc1)c1ccc(Br)cc1F ZINC000575377476 823965750 /nfs/dbraw/zinc/96/57/50/823965750.db2.gz SAXHUWSZONDGGD-VQIMIIECSA-N 1 0 396.300 4.055 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[N@H+](CC(C)C)[C@H]2CCCc3cccnc32)c1 ZINC000126852167 823966698 /nfs/dbraw/zinc/96/66/98/823966698.db2.gz FFJTYBPPWZXTSC-FQEVSTJZSA-N 1 0 397.519 4.073 20 0 GIADRO Cc1nc(C(F)(F)F)sc1C(=O)N[C@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000462423958 823969853 /nfs/dbraw/zinc/96/98/53/823969853.db2.gz ZQGHKOAWSYNWOB-RISCZKNCSA-N 1 0 385.455 4.200 20 0 GIADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1ncc(C(C)C)s1 ZINC000192396540 823969845 /nfs/dbraw/zinc/96/98/45/823969845.db2.gz UJTURBLJCIRRAN-KRWDZBQOSA-N 1 0 387.553 4.180 20 0 GIADRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(OCc3ccncc3)cc2)CCN1Cc1ccccc1 ZINC000575495479 823974177 /nfs/dbraw/zinc/97/41/77/823974177.db2.gz NFQQNYNXPZNFFJ-NLFFAJNJSA-N 1 0 387.527 4.413 20 0 GIADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(OCc3ccncc3)cc2)CCN1Cc1ccccc1 ZINC000575495477 823974517 /nfs/dbraw/zinc/97/45/17/823974517.db2.gz NFQQNYNXPZNFFJ-CPJSRVTESA-N 1 0 387.527 4.413 20 0 GIADRO C[C@H](CC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C)c1ccc(F)c(Br)c1 ZINC000462436325 823974717 /nfs/dbraw/zinc/97/47/17/823974717.db2.gz MQMFHGUJSBUBJN-HBUWYVDXSA-N 1 0 397.332 4.167 20 0 GIADRO CN(C(=O)c1ccc(OC(F)F)cc1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000126892553 823975311 /nfs/dbraw/zinc/97/53/11/823975311.db2.gz WOBGYWRMPJXJJJ-UHFFFAOYSA-N 1 0 390.430 4.039 20 0 GIADRO CN(C(=O)c1cc(-c2ccccc2)no1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000126891073 823975372 /nfs/dbraw/zinc/97/53/72/823975372.db2.gz RUPSDHQAPRJOQX-UHFFFAOYSA-N 1 0 391.471 4.093 20 0 GIADRO CC(C)C[N@H+](Cc1cc(=O)n2cc(Cl)ccc2n1)[C@H]1CCCc2cccnc21 ZINC000126891931 823975460 /nfs/dbraw/zinc/97/54/60/823975460.db2.gz FVNKFMPWZTXAQP-IBGZPJMESA-N 1 0 396.922 4.279 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)Nc1ccccc1C(F)(F)F ZINC000414414043 823976096 /nfs/dbraw/zinc/97/60/96/823976096.db2.gz TWTIWFRQCXREDT-UHFFFAOYSA-N 1 0 397.397 4.298 20 0 GIADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc(-c2ccccc2C(F)(F)F)on1 ZINC000462440811 823976229 /nfs/dbraw/zinc/97/62/29/823976229.db2.gz MLXFEENOERUBDV-DYVFJYSZSA-N 1 0 393.409 4.059 20 0 GIADRO CCC(CC)c1cc(C(=O)N(C)c2ccc(OCC[NH+]3CCCC3)cc2)on1 ZINC000126907831 823978281 /nfs/dbraw/zinc/97/82/81/823978281.db2.gz ZDCWYWBIFBASNW-UHFFFAOYSA-N 1 0 385.508 4.329 20 0 GIADRO O=C(CC[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1)Nc1cc(Cl)ccc1Cl ZINC000575621917 823979380 /nfs/dbraw/zinc/97/93/80/823979380.db2.gz ARUONGYMHBIHFX-SJLPKXTDSA-N 1 0 383.319 4.356 20 0 GIADRO COc1ccc([C@@H](C)N(C)C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000126919358 823980925 /nfs/dbraw/zinc/98/09/25/823980925.db2.gz PIDJFHJSDKXBSE-VQIMIIECSA-N 1 0 387.549 4.296 20 0 GIADRO CCOc1c(OC)cc(C[NH2+][C@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)cc1OC ZINC000126926488 823982893 /nfs/dbraw/zinc/98/28/93/823982893.db2.gz IVDKELLBQJAEEM-CQSZACIVSA-N 1 0 398.503 4.183 20 0 GIADRO CSCCc1ccc(NC(=O)NCCc2nccn2Cc2ccccc2)cc1 ZINC000170830212 823983348 /nfs/dbraw/zinc/98/33/48/823983348.db2.gz WFCZQRQEHSVROA-UHFFFAOYSA-N 1 0 394.544 4.201 20 0 GIADRO O=C(CCCc1ccc(F)c(F)c1)N1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000575737230 823983408 /nfs/dbraw/zinc/98/34/08/823983408.db2.gz AEMNEMHNXAAAMD-UHFFFAOYSA-N 1 0 395.453 4.185 20 0 GIADRO Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000414435088 823984844 /nfs/dbraw/zinc/98/48/44/823984844.db2.gz RIVWTJXTPXBXAA-SFTDATJTSA-N 1 0 387.405 4.218 20 0 GIADRO Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000414435327 823985521 /nfs/dbraw/zinc/98/55/21/823985521.db2.gz QWSQFZFTOXOEGL-IRLDBZIGSA-N 1 0 383.442 4.469 20 0 GIADRO C[C@H](c1cc(F)ccc1F)[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000170834633 823985429 /nfs/dbraw/zinc/98/54/29/823985429.db2.gz BNAIXDFSLCIKJO-CYBMUJFWSA-N 1 0 388.414 4.105 20 0 GIADRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)Nc1cc(C(F)(F)F)ccn1 ZINC000192423627 823985753 /nfs/dbraw/zinc/98/57/53/823985753.db2.gz KEFOQOMLORBJPX-ZDUSSCGKSA-N 1 0 398.454 4.196 20 0 GIADRO Cc1nc(CN(C)[C@H]2CCC[N@H+](Cc3ccc(C(F)(F)F)c(C)c3)CC2)no1 ZINC000414439833 823985854 /nfs/dbraw/zinc/98/58/54/823985854.db2.gz SZEGBPPVTBAMND-KRWDZBQOSA-N 1 0 396.457 4.192 20 0 GIADRO COCCn1cc2c(n1)[C@H]([NH2+][C@@H]1CCCc3c4cc(C)ccc4[nH]c31)CCC2 ZINC000575757112 823987071 /nfs/dbraw/zinc/98/70/71/823987071.db2.gz ZGMFPAITIVYGDS-NHCUHLMSSA-N 1 0 378.520 4.364 20 0 GIADRO COCCn1cc2c(n1)[C@@H]([NH2+][C@@H]1CCCc3c4cc(C)ccc4[nH]c31)CCC2 ZINC000575757109 823987225 /nfs/dbraw/zinc/98/72/25/823987225.db2.gz ZGMFPAITIVYGDS-LEWJYISDSA-N 1 0 378.520 4.364 20 0 GIADRO C[C@H](NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(-c2ccncc2)cc1 ZINC000575758412 823987743 /nfs/dbraw/zinc/98/77/43/823987743.db2.gz BWNMLUBZQLMPBZ-YADARESESA-N 1 0 385.511 4.448 20 0 GIADRO C[NH+](C)Cc1ccc(NS(=O)(=O)Cc2cc(Cl)cc(Cl)c2)c(F)c1 ZINC000414470345 823990818 /nfs/dbraw/zinc/99/08/18/823990818.db2.gz IWNOWUHNTSPEPF-UHFFFAOYSA-N 1 0 391.295 4.136 20 0 GIADRO COc1cc(C[NH2+][C@@H]2CCOC3(CCOCC3)C2)c(-c2ccccc2)cc1OC ZINC000575771598 823991033 /nfs/dbraw/zinc/99/10/33/823991033.db2.gz IHQYELPALDYHLW-HXUWFJFHSA-N 1 0 397.515 4.189 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)[C@H]1C[C@@H]1c1ccccc1Cl ZINC000126968712 823991465 /nfs/dbraw/zinc/99/14/65/823991465.db2.gz POFRFVJWYVGVJD-RTWAWAEBSA-N 1 0 398.934 4.287 20 0 GIADRO COCC[C@H](C)C[NH2+]Cc1c(C)nn(-c2ccc(Br)cc2)c1C ZINC000414476500 823991788 /nfs/dbraw/zinc/99/17/88/823991788.db2.gz AFAZEFMKSHVSNE-ZDUSSCGKSA-N 1 0 380.330 4.014 20 0 GIADRO CCCNc1ccc(CNC(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000192436868 823992299 /nfs/dbraw/zinc/99/22/99/823992299.db2.gz YXTCXPPGHTYTKC-UHFFFAOYSA-N 1 0 380.536 4.104 20 0 GIADRO Cc1sc(C2(NC(=O)C[N@@H+](C)C(C)C)CCC2)nc1-c1ccccc1F ZINC000575780060 823993150 /nfs/dbraw/zinc/99/31/50/823993150.db2.gz LLYFHGFIQNFBPO-UHFFFAOYSA-N 1 0 375.513 4.093 20 0 GIADRO CCCOc1c(Cl)cc(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1OCC ZINC000126979147 823993562 /nfs/dbraw/zinc/99/35/62/823993562.db2.gz CPZSUCYWLOXABP-INIZCTEOSA-N 1 0 394.943 4.085 20 0 GIADRO CCCNc1ccc(CNC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000192439473 823993488 /nfs/dbraw/zinc/99/34/88/823993488.db2.gz RTIVVOIZVRQKAA-UHFFFAOYSA-N 1 0 398.526 4.111 20 0 GIADRO C[C@@H](Oc1ccccc1NC(=O)NC1CC[NH+](C(C)(C)C)CC1)C(F)(F)F ZINC000575782863 823993593 /nfs/dbraw/zinc/99/35/93/823993593.db2.gz SSANYAXSXBDIEQ-CYBMUJFWSA-N 1 0 387.446 4.401 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]Cc2ccc(OCC3CC3)cc2)c1 ZINC000414491242 823993978 /nfs/dbraw/zinc/99/39/78/823993978.db2.gz CRJZCUUMKALFSD-UHFFFAOYSA-N 1 0 393.936 4.212 20 0 GIADRO COC(=O)C1CCC([NH2+][C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)CC1 ZINC000192441764 823994518 /nfs/dbraw/zinc/99/45/18/823994518.db2.gz YJRXHPXCEIYSGS-CNBHCMJISA-N 1 0 395.478 4.238 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]Cc2ccc(OC)c(Cl)c2)c1 ZINC000414494410 823995223 /nfs/dbraw/zinc/99/52/23/823995223.db2.gz KZIVACKAUMNNNC-UHFFFAOYSA-N 1 0 388.316 4.085 20 0 GIADRO COc1cccc2c1CC[C@@H]([NH2+][C@H](C)c1c(C)nn(CC(F)(F)F)c1C)C2 ZINC000192447557 823996487 /nfs/dbraw/zinc/99/64/87/823996487.db2.gz YJKYUOIXQZETSH-MLGOLLRUSA-N 1 0 381.442 4.279 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+]Cc2csc(-c3ccc(C)cc3)n2)cn1 ZINC000414500778 823996523 /nfs/dbraw/zinc/99/65/23/823996523.db2.gz CONWQZBEPXFTRF-FXAWDEMLSA-N 1 0 382.533 4.202 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+]Cc2cc(Cl)c(OC)cc2Cl)cn1 ZINC000414502152 823996545 /nfs/dbraw/zinc/99/65/45/823996545.db2.gz IUJSOCLFJOJTQQ-KPZWWZAWSA-N 1 0 384.307 4.086 20 0 GIADRO CO[C@@](C)([C@@H](C)[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1)C1CC1 ZINC000414500667 823996570 /nfs/dbraw/zinc/99/65/70/823996570.db2.gz MCRVJEWUIRVOGX-XIKOKIGWSA-N 1 0 378.314 4.132 20 0 GIADRO C[C@@H](NC(=O)C1CC[NH+](C2CC2)CC1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000192450269 823996884 /nfs/dbraw/zinc/99/68/84/823996884.db2.gz VJBSPQHGOGFZOR-QGZVFWFLSA-N 1 0 396.506 4.456 20 0 GIADRO C[C@@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2OCc2ccccn2)CS1 ZINC000414503258 823997044 /nfs/dbraw/zinc/99/70/44/823997044.db2.gz QKELXFYEPSYECT-DYVFJYSZSA-N 1 0 393.350 4.407 20 0 GIADRO C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]Cc1ccccc1S(C)(=O)=O ZINC000414503774 823997113 /nfs/dbraw/zinc/99/71/13/823997113.db2.gz IZYKVHXTHUVAIQ-KAMYIIQDSA-N 1 0 383.435 4.302 20 0 GIADRO COc1cc(C[NH2+][C@H](C)[C@](C)(OC)C2CC2)ccc1OCc1c(C)noc1C ZINC000414507027 823997507 /nfs/dbraw/zinc/99/75/07/823997507.db2.gz XOZVKELQBFZTMK-ZHRRBRCNSA-N 1 0 388.508 4.172 20 0 GIADRO COc1cc(C[NH2+][C@@H]2CS[C@H](C)C2)cc(Br)c1OC(F)F ZINC000414505423 823997569 /nfs/dbraw/zinc/99/75/69/823997569.db2.gz UPDXKWAPZYHMTO-SCZZXKLOSA-N 1 0 382.270 4.043 20 0 GIADRO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2cccc(C(=O)Nc3ccccc3)c2C)C1 ZINC000170877001 823997934 /nfs/dbraw/zinc/99/79/34/823997934.db2.gz GOPCJXGHJJGUOY-SFHVURJKSA-N 1 0 394.519 4.101 20 0 GIADRO C[C@@H](SCc1ccccc1)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000192461009 823999178 /nfs/dbraw/zinc/99/91/78/823999178.db2.gz CATQVGPHVRUGPJ-LJQANCHMSA-N 1 0 382.573 4.132 20 0 GIADRO Cc1ccc([C@H](CNC(=O)N[C@@H]2CCCC[C@@H]2C(F)(F)F)[NH+]2CCCC2)o1 ZINC000575798921 823999214 /nfs/dbraw/zinc/99/92/14/823999214.db2.gz HPGNAGXYEJWYCF-XHSDSOJGSA-N 1 0 387.446 4.145 20 0 GIADRO CC[NH+](CC)CCn1ccc2cc(NC(=O)C[C@@H](C)c3c(C)n[nH]c3C)ccc21 ZINC000127007790 823999870 /nfs/dbraw/zinc/99/98/70/823999870.db2.gz PYUGBYDWJYZLTB-MRXNPFEDSA-N 1 0 395.551 4.455 20 0 GIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2cc(-c3ccsc3)nn2C)C1 ZINC000575809288 824001605 /nfs/dbraw/zinc/00/16/05/824001605.db2.gz MZDZUPZWBZNKFV-YJBOKZPZSA-N 1 0 395.532 4.106 20 0 GIADRO COc1ccc(C[N@@H+]2CC3(CCOCC3)[C@@H]2C(C)C)cc1OCc1cccnc1 ZINC000414524879 824001724 /nfs/dbraw/zinc/00/17/24/824001724.db2.gz ISHIDPZFYXLSQW-QHCPKHFHSA-N 1 0 396.531 4.306 20 0 GIADRO CC[C@@H]([NH2+][C@H]1CCN(C(=O)C2CCCC2)C1)c1cccc(Br)c1 ZINC000127022844 824002380 /nfs/dbraw/zinc/00/23/80/824002380.db2.gz OKLANDCXECMFIX-ZWKOTPCHSA-N 1 0 379.342 4.281 20 0 GIADRO COc1cc(C[NH2+][C@H](c2ccccc2)C2(CO)CCOCC2)ccc1OC(C)C ZINC000414532551 824003466 /nfs/dbraw/zinc/00/34/66/824003466.db2.gz DHPZSFXHIYJJCG-HSZRJFAPSA-N 1 0 399.531 4.102 20 0 GIADRO CCOc1ccc([C@H](CC)[NH2+][C@@H]2CCN(C(=O)C3CCCC3)C2)cc1OCC ZINC000127034138 824004313 /nfs/dbraw/zinc/00/43/13/824004313.db2.gz AIBJHJSFCOBHJQ-UXHICEINSA-N 1 0 388.552 4.316 20 0 GIADRO CCOc1ccc([C@@H](CC)[NH2+][C@@H]2CCN(C(=O)C3CCCC3)C2)cc1OCC ZINC000127034385 824004367 /nfs/dbraw/zinc/00/43/67/824004367.db2.gz AIBJHJSFCOBHJQ-WOJBJXKFSA-N 1 0 388.552 4.316 20 0 GIADRO COCCNc1ccc(C[NH2+][C@H]2CCc3c2cc(Br)cc3F)cc1 ZINC000127036283 824004860 /nfs/dbraw/zinc/00/48/60/824004860.db2.gz QAGHYQNBPPJCDO-IBGZPJMESA-N 1 0 393.300 4.424 20 0 GIADRO OC[C@@H]([NH2+]Cc1ccc(-c2ccc(C(F)(F)F)cc2)s1)[C@H]1CCCOC1 ZINC000414539037 824005207 /nfs/dbraw/zinc/00/52/07/824005207.db2.gz ASRVZLNNRNVLAE-WMLDXEAASA-N 1 0 385.451 4.311 20 0 GIADRO OCC1([C@@H]([NH2+]Cc2cscc2Br)c2ccccc2)CCOCC1 ZINC000414539361 824005214 /nfs/dbraw/zinc/00/52/14/824005214.db2.gz NHMDSMMUFHVCPO-KRWDZBQOSA-N 1 0 396.350 4.131 20 0 GIADRO Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000127038900 824005231 /nfs/dbraw/zinc/00/52/31/824005231.db2.gz PXEDHUFFRYLXPM-WBVHZDCISA-N 1 0 380.602 4.399 20 0 GIADRO CCCCOc1ccc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCOCC2)cc1 ZINC000414539587 824005873 /nfs/dbraw/zinc/00/58/73/824005873.db2.gz NKFWBGUIWORONO-QHCPKHFHSA-N 1 0 383.532 4.486 20 0 GIADRO OCC1([C@@H]([NH2+]Cc2cnc(C3CCCC3)s2)c2ccccc2)CCOCC1 ZINC000414542736 824006425 /nfs/dbraw/zinc/00/64/25/824006425.db2.gz SBMSCHMNTUQALT-FQEVSTJZSA-N 1 0 386.561 4.421 20 0 GIADRO CCCCOc1ccc(C[N@@H+]2CCC[C@H](N3CCCC3=O)CC2)cc1OCC ZINC000414547386 824007724 /nfs/dbraw/zinc/00/77/24/824007724.db2.gz ILBAGBRYIZUKAT-FQEVSTJZSA-N 1 0 388.552 4.241 20 0 GIADRO OC[C@@H]([NH2+]Cc1ccc(-c2ccccc2Br)s1)[C@@H]1CCCOC1 ZINC000414546899 824007976 /nfs/dbraw/zinc/00/79/76/824007976.db2.gz GMGOAXKPWBICQJ-CXAGYDPISA-N 1 0 396.350 4.055 20 0 GIADRO C[C@@H](C[N@@H+]1CCC[C@H](N2CCCC2=O)CC1)c1cccc(Br)c1 ZINC000414550455 824008875 /nfs/dbraw/zinc/00/88/75/824008875.db2.gz NBCFKVJYWPFIJR-YJBOKZPZSA-N 1 0 379.342 4.030 20 0 GIADRO Cc1ccc(NC(=O)C[NH2+][C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)c(C)c1 ZINC000575839466 824009239 /nfs/dbraw/zinc/00/92/39/824009239.db2.gz IPPVOVZGWRWIOF-PZJWPPBQSA-N 1 0 389.902 4.069 20 0 GIADRO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2ccc(-n3cnc4ccccc43)cc2)CC1 ZINC000414555495 824010762 /nfs/dbraw/zinc/01/07/62/824010762.db2.gz UNNMYDMCROZQEQ-HXUWFJFHSA-N 1 0 388.515 4.002 20 0 GIADRO CCc1ncc(C[N@H+](C[C@H](O)COc2ccccc2SC)C(C)C)s1 ZINC000414555817 824011472 /nfs/dbraw/zinc/01/14/72/824011472.db2.gz MRWSDGFYIHRZMC-HNNXBMFYSA-N 1 0 380.579 4.078 20 0 GIADRO C/C(=C\c1ccccc1OC(F)F)C[N@@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000414556484 824011549 /nfs/dbraw/zinc/01/15/49/824011549.db2.gz VXOVXEMDYMINSR-QRURKXGXSA-N 1 0 378.463 4.168 20 0 GIADRO OC[C@@H]([NH2+]Cc1ccc(-c2cccc(Br)c2)s1)[C@H]1CCCOC1 ZINC000414558364 824011715 /nfs/dbraw/zinc/01/17/15/824011715.db2.gz OPQXEXGQNPDDMH-WMLDXEAASA-N 1 0 396.350 4.055 20 0 GIADRO O=C(Nc1ccccc1O[C@H]1CCOC1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000575849900 824011780 /nfs/dbraw/zinc/01/17/80/824011780.db2.gz XRPXGYYHZKVPCZ-FQEVSTJZSA-N 1 0 380.488 4.093 20 0 GIADRO CS(=O)(=O)CC1(C[NH2+]C/C=C/c2ccc(OCc3ccccc3)cc2)CCC1 ZINC000414560048 824012698 /nfs/dbraw/zinc/01/26/98/824012698.db2.gz VZYQECJVIASGRO-WEVVVXLNSA-N 1 0 399.556 4.083 20 0 GIADRO C[C@H]1CCCC[C@H]1OCC[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000127077840 824012720 /nfs/dbraw/zinc/01/27/20/824012720.db2.gz JNVHJJUFMUNJDY-OXJNMPFZSA-N 1 0 378.944 4.130 20 0 GIADRO CC(C)[N@@H+](Cc1cccc(NC(=O)c2ccccc2Cl)c1)C[C@@H]1CCC(=O)N1 ZINC000414565588 824014144 /nfs/dbraw/zinc/01/41/44/824014144.db2.gz YYVSIBSJBKFOQR-SFHVURJKSA-N 1 0 399.922 4.081 20 0 GIADRO COc1ccc([C@H]([NH2+][C@@H]2CCN(C(=O)Nc3ccccc3)C2)C(C)C)c(F)c1 ZINC000575859540 824014390 /nfs/dbraw/zinc/01/43/90/824014390.db2.gz OPMIHLIWRFFRME-DYESRHJHSA-N 1 0 385.483 4.427 20 0 GIADRO CC(C)Oc1cc(Br)cc(NC(=O)[C@@](C)([NH3+])c2ccccc2)c1 ZINC000192507566 824014861 /nfs/dbraw/zinc/01/48/61/824014861.db2.gz XTVLLLHADRVSFQ-SFHVURJKSA-N 1 0 377.282 4.049 20 0 GIADRO Brc1cccc(CN2CCC([NH2+]Cc3ccc4c[nH]nc4c3)CC2)c1 ZINC000414583492 824015926 /nfs/dbraw/zinc/01/59/26/824015926.db2.gz IFFDQZYUZAAINS-UHFFFAOYSA-N 1 0 399.336 4.080 20 0 GIADRO COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H]2CCC[C@@H](CO)C2)cc1 ZINC000414589921 824016664 /nfs/dbraw/zinc/01/66/64/824016664.db2.gz XFYUWGCWYYWCOJ-NQIIRXRSSA-N 1 0 391.515 4.189 20 0 GIADRO Cc1cc(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c(C)n1[C@@H](C)c1ccccc1 ZINC000127098382 824017209 /nfs/dbraw/zinc/01/72/09/824017209.db2.gz RFCUWEPUCURNRK-PZJWPPBQSA-N 1 0 379.548 4.272 20 0 GIADRO CC(C)C[N@H+](CC(=O)Nc1ccnn1C1CCCC1)[C@@H]1CCCc2cccnc21 ZINC000127104025 824017852 /nfs/dbraw/zinc/01/78/52/824017852.db2.gz FKPKYQCTHMOWQA-HXUWFJFHSA-N 1 0 395.551 4.367 20 0 GIADRO CC(C)n1c(-c2cccnc2)nnc1N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000575877992 824018055 /nfs/dbraw/zinc/01/80/55/824018055.db2.gz IPTMOPBIKOLLHD-IBGZPJMESA-N 1 0 396.583 4.402 20 0 GIADRO COc1cc(-c2noc(C(C)(C)[C@@H]([NH3+])c3ccccc3)n2)ccc1OC(F)F ZINC000414633625 824019622 /nfs/dbraw/zinc/01/96/22/824019622.db2.gz ZYLVVXMWMZHJNY-INIZCTEOSA-N 1 0 389.402 4.324 20 0 GIADRO O[C@H](C[NH+]1CCC(OCc2ccccc2)CC1)c1cccc(Br)c1 ZINC000192527418 824020061 /nfs/dbraw/zinc/02/00/61/824020061.db2.gz FNXPUHBFRLYSPO-HXUWFJFHSA-N 1 0 390.321 4.164 20 0 GIADRO C[C@H](NC(=O)NC1CC[NH+](CC2CC2)CC1)c1nc(-c2ccccc2)cs1 ZINC000170964262 824021050 /nfs/dbraw/zinc/02/10/50/824021050.db2.gz FBVVPWDRKNBFKZ-HNNXBMFYSA-N 1 0 384.549 4.045 20 0 GIADRO [NH3+][C@@H]1CN(C(=O)Nc2ccccc2C(F)(F)F)CC[C@H]1c1ccc(F)cc1 ZINC000414659687 824021362 /nfs/dbraw/zinc/02/13/62/824021362.db2.gz LKSURHXIUSSATO-GOEBONIOSA-N 1 0 381.373 4.193 20 0 GIADRO [NH3+]CC[C@@H]1CCCN(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000414675478 824022511 /nfs/dbraw/zinc/02/25/11/824022511.db2.gz FYZIIDYUBHXXLT-JTQLQIEISA-N 1 0 383.336 4.317 20 0 GIADRO CCN(CC[NH+]1CCCCCC1)C(=O)Cc1c2ccc(C)cc2oc1C(C)=O ZINC000575896492 824022748 /nfs/dbraw/zinc/02/27/48/824022748.db2.gz PDWRINZJOUAZCP-UHFFFAOYSA-N 1 0 384.520 4.211 20 0 GIADRO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1ccc(Oc2cnccn2)cc1 ZINC000127129817 824023096 /nfs/dbraw/zinc/02/30/96/824023096.db2.gz ZCLXTHULQRSQPA-QGZVFWFLSA-N 1 0 386.459 4.043 20 0 GIADRO Cc1cc(Cl)ccc1NC(=O)C[NH2+]C1(c2ccc(F)cc2)CCOCC1 ZINC000170971616 824023499 /nfs/dbraw/zinc/02/34/99/824023499.db2.gz OVQHAMMWUWKODR-UHFFFAOYSA-N 1 0 376.859 4.022 20 0 GIADRO O=C(C[NH2+]C1(c2ccc(F)cc2)CCOCC1)Nc1cccc2ccccc21 ZINC000170971820 824023574 /nfs/dbraw/zinc/02/35/74/824023574.db2.gz OPWSXBNICLCXGL-UHFFFAOYSA-N 1 0 378.447 4.213 20 0 GIADRO O[C@@H](C[NH2+]C1(c2ccc(F)cc2)CCOCC1)COc1cccc2ccccc21 ZINC000170971612 824023758 /nfs/dbraw/zinc/02/37/58/824023758.db2.gz YQSFHAOZAUQQPL-NRFANRHFSA-N 1 0 395.474 4.014 20 0 GIADRO CC(C)CNC(=O)c1cccc(C[NH2+]C2(c3ccc(F)cc3)CCOCC2)c1 ZINC000170972047 824024157 /nfs/dbraw/zinc/02/41/57/824024157.db2.gz YZGQIOASLCQCEW-UHFFFAOYSA-N 1 0 384.495 4.007 20 0 GIADRO CCCc1noc2nc(C3CC3)cc(C(=O)N3CCCC[C@H]([NH+]4CCCC4)C3)c12 ZINC000170973777 824024558 /nfs/dbraw/zinc/02/45/58/824024558.db2.gz KVSLRDICIKZUEQ-KRWDZBQOSA-N 1 0 396.535 4.143 20 0 GIADRO Cc1ccc(Oc2ccc(NC(=O)N3C[C@H](C[NH3+])C4(C3)CCOCC4)cc2)cc1 ZINC000414718757 824026186 /nfs/dbraw/zinc/02/61/86/824026186.db2.gz SKARIUHYWLXEEJ-SFHVURJKSA-N 1 0 395.503 4.007 20 0 GIADRO CCCOc1ccc(NC(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1OCCC ZINC000414719255 824026558 /nfs/dbraw/zinc/02/65/58/824026558.db2.gz USASCXWCFLTIAH-QZTJIDSGSA-N 1 0 389.540 4.118 20 0 GIADRO COc1ccc([C@H]2CCCC[C@@H]2[NH2+]C2CCN(C(=O)C(C)C)CC2)cc1F ZINC000575911023 824027448 /nfs/dbraw/zinc/02/74/48/824027448.db2.gz RXMXHECRSTZFOC-QUCCMNQESA-N 1 0 376.516 4.097 20 0 GIADRO O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)Nc1ccc2c(c1)CCO2 ZINC000575910789 824027605 /nfs/dbraw/zinc/02/76/05/824027605.db2.gz HEUHTWCQKQVCTF-LJQANCHMSA-N 1 0 379.504 4.045 20 0 GIADRO Cc1ccc(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1C(=O)N(C)C(C)C ZINC000192546297 824027754 /nfs/dbraw/zinc/02/77/54/824027754.db2.gz IFARANLKKPUNIP-GOSISDBHSA-N 1 0 385.552 4.069 20 0 GIADRO [NH3+]C[C@H]1CCN(C(=O)Nc2cc(Cl)ccc2Sc2ccc(F)cc2)C1 ZINC000414724093 824027787 /nfs/dbraw/zinc/02/77/87/824027787.db2.gz DPIQEXPAXMPTOJ-GFCCVEGCSA-N 1 0 379.888 4.443 20 0 GIADRO CCOc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H](CC[NH3+])C3)cc2)cc1 ZINC000414724640 824027833 /nfs/dbraw/zinc/02/78/33/824027833.db2.gz KLDAFBOTIBLIDT-KRWDZBQOSA-N 1 0 383.492 4.470 20 0 GIADRO CC(C)(CO)[C@H]([NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1)C1CC1 ZINC000575914320 824028527 /nfs/dbraw/zinc/02/85/27/824028527.db2.gz DGFACXLQCWZQTH-HXUWFJFHSA-N 1 0 386.923 4.479 20 0 GIADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)C1 ZINC000414726787 824028763 /nfs/dbraw/zinc/02/87/63/824028763.db2.gz ACSCSHZDHNIJLJ-CMPLNLGQSA-N 1 0 399.347 4.242 20 0 GIADRO Cc1ccc(Cc2cnc(NC(=O)N3CCC([C@@H](C)[NH3+])CC3)s2)cc1Cl ZINC000414728052 824028846 /nfs/dbraw/zinc/02/88/46/824028846.db2.gz BWDNVHCOBCIHPG-CYBMUJFWSA-N 1 0 392.956 4.287 20 0 GIADRO Cc1ccc(C)c(Sc2ccc(NC(=O)N3CCCO[C@@H](C[NH3+])C3)cc2)c1 ZINC000414729959 824029086 /nfs/dbraw/zinc/02/90/86/824029086.db2.gz RRFDDTQSTKVPQA-SFHVURJKSA-N 1 0 385.533 4.036 20 0 GIADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000414735964 824030764 /nfs/dbraw/zinc/03/07/64/824030764.db2.gz CLPAPQQIQKSVRY-QWRGUYRKSA-N 1 0 384.427 4.030 20 0 GIADRO COc1ccc(Oc2ccc(Cl)cc2NC(=O)N2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000414739906 824031703 /nfs/dbraw/zinc/03/17/03/824031703.db2.gz ZZBOFOZHCRDQRB-FQEVSTJZSA-N 1 0 389.883 4.344 20 0 GIADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 ZINC000414746631 824032449 /nfs/dbraw/zinc/03/24/49/824032449.db2.gz ZHZYDVUFDQXKRA-QWRGUYRKSA-N 1 0 399.347 4.242 20 0 GIADRO CC1(C(=O)N2CC[C@](F)(c3ccccc3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000575936935 824032453 /nfs/dbraw/zinc/03/24/53/824032453.db2.gz BUAXTOPTUMKIOC-XMMPIXPASA-N 1 0 380.507 4.386 20 0 GIADRO C[NH2+]C[C@H]1CCCN1C(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000414750433 824032641 /nfs/dbraw/zinc/03/26/41/824032641.db2.gz QVTUINYOZWHARM-CYBMUJFWSA-N 1 0 384.427 4.045 20 0 GIADRO CC[NH2+]CC1CCN(C(=O)Nc2ncc(Cc3ccc(C)c(F)c3)s2)CC1 ZINC000414755082 824033191 /nfs/dbraw/zinc/03/31/91/824033191.db2.gz YQLGQESIKCHREE-UHFFFAOYSA-N 1 0 390.528 4.035 20 0 GIADRO CCCN(C(=O)N[C@@H](C)c1cccnc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000171004447 824034245 /nfs/dbraw/zinc/03/42/45/824034245.db2.gz WBBAZDRCJQJGOH-SIKLNZKXSA-N 1 0 380.536 4.229 20 0 GIADRO CCC[C@@H](NC(=O)C(=O)Nc1ccc(C[NH3+])cc1)c1ccc(Cl)c(Cl)c1 ZINC000414764899 824034341 /nfs/dbraw/zinc/03/43/41/824034341.db2.gz FBXXQVHRDHDROK-QGZVFWFLSA-N 1 0 394.302 4.048 20 0 GIADRO C[NH2+]CCC1CCN(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)CC1 ZINC000414768118 824034490 /nfs/dbraw/zinc/03/44/90/824034490.db2.gz HGUGNXBQGLUJOA-UHFFFAOYSA-N 1 0 395.507 4.184 20 0 GIADRO [NH3+]CCC[C@H](NC(=O)Nc1ccc(OCC(F)(F)F)cc1)c1ccccc1 ZINC000414772770 824034865 /nfs/dbraw/zinc/03/48/65/824034865.db2.gz RQVWZTZDFMQHEM-KRWDZBQOSA-N 1 0 381.398 4.229 20 0 GIADRO COc1cc(CNC2CC[NH2+]CC2)ccc1OCc1ccc(Cl)cc1Cl ZINC000414780413 824035361 /nfs/dbraw/zinc/03/53/61/824035361.db2.gz BAEXTPDHLSWMBS-UHFFFAOYSA-N 1 0 395.330 4.423 20 0 GIADRO COc1cc(C[NH2+]C[C@H]2CCC[C@@H](CO)C2)cc(OC)c1OCc1ccccc1 ZINC000575950834 824035410 /nfs/dbraw/zinc/03/54/10/824035410.db2.gz SEUNXDNMEHVHFJ-VQTJNVASSA-N 1 0 399.531 4.171 20 0 GIADRO C[NH2+]Cc1ccc(NC(=O)C(=O)N[C@@H](CC2CCCCC2)c2ccccc2)cc1 ZINC000414785090 824036032 /nfs/dbraw/zinc/03/60/32/824036032.db2.gz IQLSVRKYGMCCFY-QFIPXVFZSA-N 1 0 393.531 4.172 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@H]1CCCc2cc(N)ccc21 ZINC000414796192 824036839 /nfs/dbraw/zinc/03/68/39/824036839.db2.gz XNIRGHGGOAXJGS-FQEVSTJZSA-N 1 0 396.535 4.189 20 0 GIADRO C[C@H]([NH3+])c1ccc(NCc2cc(Br)c3c(c2)OCCCO3)cc1 ZINC000414799041 824037321 /nfs/dbraw/zinc/03/73/21/824037321.db2.gz DBWLCINJTAGGDJ-LBPRGKRZSA-N 1 0 377.282 4.242 20 0 GIADRO CC(C)[C@@H]([NH3+])CNCc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000414806516 824037851 /nfs/dbraw/zinc/03/78/51/824037851.db2.gz ZLDOHINVZARVGP-SFHVURJKSA-N 1 0 380.319 4.319 20 0 GIADRO CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H](C)c2ccc(SC(C)C)cc2)c1 ZINC000414811683 824038200 /nfs/dbraw/zinc/03/82/00/824038200.db2.gz ZRCOJIOPUHQUSY-INIZCTEOSA-N 1 0 399.560 4.113 20 0 GIADRO CCCCOc1ccc(OC)cc1NC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000414814708 824038533 /nfs/dbraw/zinc/03/85/33/824038533.db2.gz WBAUSHHCLYHUIU-XLIONFOSSA-N 1 0 389.540 4.260 20 0 GIADRO CC(=O)Nc1ccc(C[NH2+][C@@H](C)CC(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000192589789 824039216 /nfs/dbraw/zinc/03/92/16/824039216.db2.gz IPNHZKBWUSBUIN-ZDUSSCGKSA-N 1 0 393.409 4.171 20 0 GIADRO O=C(Nc1ccccc1N1CCc2ccccc21)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414821054 824039581 /nfs/dbraw/zinc/03/95/81/824039581.db2.gz BPKVRXWNSPJENM-UXHICEINSA-N 1 0 390.531 4.234 20 0 GIADRO CCCCN(C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2)[C@H](CC)c1ccccc1 ZINC000414826955 824040011 /nfs/dbraw/zinc/04/00/11/824040011.db2.gz AELGBMYWJYJGJT-OAQYLSRUSA-N 1 0 379.504 4.008 20 0 GIADRO O=C(Nc1cc(Cl)ccc1N1CCCCC1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000414824565 824040071 /nfs/dbraw/zinc/04/00/71/824040071.db2.gz QXRWOXQGEKTBFW-KRWDZBQOSA-N 1 0 390.959 4.184 20 0 GIADRO COc1cc(CNC[C@H]([NH3+])c2ccccc2)cc(OC)c1OCc1ccccc1 ZINC000414835991 824040928 /nfs/dbraw/zinc/04/09/28/824040928.db2.gz SJYAYVVHYHNXSF-NRFANRHFSA-N 1 0 392.499 4.072 20 0 GIADRO O=C(Nc1ccc2c(c1)C[NH2+]C2)C(=O)N1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000414849902 824041764 /nfs/dbraw/zinc/04/17/64/824041764.db2.gz YEXWGCGQALMYOC-FQEVSTJZSA-N 1 0 397.906 4.026 20 0 GIADRO Brc1cnn(CCC[NH2+]Cc2cnc(-c3ccsc3)s2)c1 ZINC000575976798 824042823 /nfs/dbraw/zinc/04/28/23/824042823.db2.gz BHAHHHRBISUKBQ-UHFFFAOYSA-N 1 0 383.340 4.011 20 0 GIADRO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NCc2nc(-c3ccccc3)cs2)cc1 ZINC000414876319 824043907 /nfs/dbraw/zinc/04/39/07/824043907.db2.gz DDAMTVXWOSJTHS-VQTJNVASSA-N 1 0 379.529 4.054 20 0 GIADRO COc1ccc([C@H]2CC[NH2+]C[C@@H]2NCc2cnc(-c3ccsc3)s2)cc1 ZINC000414877983 824044300 /nfs/dbraw/zinc/04/43/00/824044300.db2.gz GRMGNJBQJIJRBE-MOPGFXCFSA-N 1 0 385.558 4.116 20 0 GIADRO CCC(=O)Nc1ccc(Cl)c(NC(=O)NC[C@@H]([NH3+])c2ccccc2CC)c1 ZINC000414881944 824044597 /nfs/dbraw/zinc/04/45/97/824044597.db2.gz BEWQNMNNBQCOLV-QGZVFWFLSA-N 1 0 388.899 4.072 20 0 GIADRO COc1ccc(-c2nc(C[NH2+][C@@H]3[C@@H]4CCCO[C@@H]4C3(C)C)cs2)c(OC)c1 ZINC000575988913 824044673 /nfs/dbraw/zinc/04/46/73/824044673.db2.gz RZQJFCBVFPLFII-UHOSZYNNSA-N 1 0 388.533 4.121 20 0 GIADRO CC(C)C[C@@H]([NH3+])c1noc(-c2nc(-c3cccs3)n(-c3ccccc3)n2)n1 ZINC000575987993 824044754 /nfs/dbraw/zinc/04/47/54/824044754.db2.gz WXKXUXKHTDDXFE-CQSZACIVSA-N 1 0 380.477 4.092 20 0 GIADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NCc2ccc(-c3ccncc3)cc2F)cc1 ZINC000414888318 824045722 /nfs/dbraw/zinc/04/57/22/824045722.db2.gz REYPVZSOIMYMEM-UPVQGACJSA-N 1 0 391.490 4.132 20 0 GIADRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)NC1CCC([NH3+])CC1 ZINC000414890816 824045728 /nfs/dbraw/zinc/04/57/28/824045728.db2.gz NFIVAUIDFYBGGO-UHFFFAOYSA-N 1 0 381.480 4.030 20 0 GIADRO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NCc2csc(-c3ccsc3)n2)cc1 ZINC000414891184 824046266 /nfs/dbraw/zinc/04/62/66/824046266.db2.gz VLKDHJKOYDGUMT-RBUKOAKNSA-N 1 0 385.558 4.116 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N1CC[C@@](F)(c2ccccc2)C1 ZINC000576005552 824048330 /nfs/dbraw/zinc/04/83/30/824048330.db2.gz YMYOGDLNFSWYJE-KNQAVFIVSA-N 1 0 385.483 4.087 20 0 GIADRO O=C(CC1CC[NH+](Cc2ccc(OCc3ccccc3)cc2)CC1)N1CCCC1 ZINC000171053348 824048564 /nfs/dbraw/zinc/04/85/64/824048564.db2.gz GMQQUFKGQZHHME-UHFFFAOYSA-N 1 0 392.543 4.490 20 0 GIADRO C[C@H]([NH2+]Cc1ccc2c(c1)sc(=O)n2C)c1cccc(OC(F)(F)F)c1 ZINC000192628330 824049817 /nfs/dbraw/zinc/04/98/17/824049817.db2.gz ONTUIBXJAGTQGP-NSHDSACASA-N 1 0 382.407 4.349 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)NC[C@H](O)c1ccccc1)C1CCCCC1 ZINC000192630308 824050427 /nfs/dbraw/zinc/05/04/27/824050427.db2.gz AVBMLIUXQOTRFO-QFIPXVFZSA-N 1 0 381.520 4.306 20 0 GIADRO Cc1ccc(NC(=O)C[C@H](C)N[C@@H](C[NH3+])c2ccc3ccccc3c2)c(C)c1 ZINC000414941215 824052189 /nfs/dbraw/zinc/05/21/89/824052189.db2.gz LBSWTKZCOSSBOC-MBSDFSHPSA-N 1 0 375.516 4.463 20 0 GIADRO C[C@H]1C[C@H](NCc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)CC[NH2+]1 ZINC000414942424 824052872 /nfs/dbraw/zinc/05/28/72/824052872.db2.gz DKBZPDKBMUCDPX-XJKSGUPXSA-N 1 0 392.330 4.476 20 0 GIADRO Cc1nc(COc2ccc(C[NH2+]C[C@H]3NCCc4ccccc43)cc2)cs1 ZINC000414951351 824053177 /nfs/dbraw/zinc/05/31/77/824053177.db2.gz GNGYIIJPPBEOSQ-JOCHJYFZSA-N 1 0 379.529 4.007 20 0 GIADRO Fc1cc(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)ccc1OC(F)F ZINC000576028827 824053261 /nfs/dbraw/zinc/05/32/61/824053261.db2.gz XHGDVGMGBGMAHV-LMMKCTJWSA-N 1 0 377.406 4.432 20 0 GIADRO Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2NCc2cnc(-c3ccsc3)s2)cc1F ZINC000414948359 824053333 /nfs/dbraw/zinc/05/33/33/824053333.db2.gz MDAPAWMGPWCWQT-YJBOKZPZSA-N 1 0 391.512 4.385 20 0 GIADRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)CCCc1ccccc1)c1ccccc1O2 ZINC000192641440 824053642 /nfs/dbraw/zinc/05/36/42/824053642.db2.gz BTOCJUMPRXKIGG-OAQYLSRUSA-N 1 0 378.516 4.114 20 0 GIADRO CC(C)C[C@](C)(C[NH3+])NC(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 ZINC000414967282 824055148 /nfs/dbraw/zinc/05/51/48/824055148.db2.gz AUMRBMNRNSFCOO-LJQANCHMSA-N 1 0 392.887 4.070 20 0 GIADRO CSc1ccccc1C(=O)Nc1cc(Cl)ccc1N1CC[NH+](C)CC1 ZINC000192648601 824055698 /nfs/dbraw/zinc/05/56/98/824055698.db2.gz OJYIRYJBCPNKHE-UHFFFAOYSA-N 1 0 375.925 4.066 20 0 GIADRO Cc1cc(N)cc(C[NH2+]C2CCN(Cc3ccccc3Br)CC2)c1 ZINC000414972793 824056058 /nfs/dbraw/zinc/05/60/58/824056058.db2.gz YJKYAWABBKXWJI-UHFFFAOYSA-N 1 0 388.353 4.094 20 0 GIADRO Cc1ncc(CN2CC[C@H]([NH2+]Cc3cc(F)cc4cccnc43)[C@H](C)C2)s1 ZINC000359865946 206265968 /nfs/dbraw/zinc/26/59/68/206265968.db2.gz FEQRTASVAKEUIL-VLIAUNLRSA-N 1 0 384.524 4.139 20 0 GIADRO C[C@H](CC(C)(C)c1ccccc1)[NH2+]Cc1nnc2n1C[C@@H](C(F)(F)F)CC2 ZINC000359907154 206269024 /nfs/dbraw/zinc/26/90/24/206269024.db2.gz WVBDDXPQXGRCLQ-ZBFHGGJFSA-N 1 0 380.458 4.249 20 0 GIADRO CC(C)OCc1cccc(NC(=O)NC[C@H]2CCC[N@H+](Cc3cccnc3)C2)c1 ZINC000359936605 206271234 /nfs/dbraw/zinc/27/12/34/206271234.db2.gz NNMGJASNMKDKRZ-OAQYLSRUSA-N 1 0 396.535 4.040 20 0 GIADRO CC(C)[N@@H+]1CCc2nc(CNCc3nc(-c4ccccc4)cs3)sc2C1 ZINC000359993279 206277228 /nfs/dbraw/zinc/27/72/28/206277228.db2.gz KCDUKOXEWOPPHL-UHFFFAOYSA-N 1 0 384.574 4.323 20 0 GIADRO O=C(c1cccc2cccnc21)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000018215598 207094936 /nfs/dbraw/zinc/09/49/36/207094936.db2.gz GRMIGHLCCPRGJO-UHFFFAOYSA-N 1 0 381.479 4.346 20 0 GIADRO C/C=C/c1ccc(OC[C@H](O)C[N@H+](Cc2ccc(F)cc2)C2CC2)c(OC)c1 ZINC000024101402 207287862 /nfs/dbraw/zinc/28/78/62/207287862.db2.gz MKDMFLYEYWXJTP-YEFOHOTDSA-N 1 0 385.479 4.272 20 0 GIADRO Cc1ccccc1C[N@@H+]1CC[C@]2(C1)COCc1c(C)nc(-c3ccccc3)nc12 ZINC000096080415 208261191 /nfs/dbraw/zinc/26/11/91/208261191.db2.gz ZJBZVPYLYZFRHI-VWLOTQADSA-N 1 0 385.511 4.434 20 0 GIADRO Clc1ccc(CN2CCC([NH2+][C@H]3CCCO[C@@H]3c3ccncc3)CC2)cc1 ZINC000275550370 570696115 /nfs/dbraw/zinc/69/61/15/570696115.db2.gz NGINUZYHCUVPKV-FCHUYYIVSA-N 1 0 385.939 4.209 20 0 GIADRO CC(C)c1ccc(-c2cc(C(F)(F)N3CCC[C@@H]4[NH2+]C[C@@H]43)c(Cl)nn2)cc1 ZINC001164449871 719003018 /nfs/dbraw/zinc/00/30/18/719003018.db2.gz PNQXLGBIWJZRSS-WMZOPIPTSA-N 1 0 392.881 4.406 20 0 GIADRO CC(C)c1ccc(-c2cc(C(F)(F)N3CCC[C@@H]4[NH2+]C[C@H]43)c(Cl)nn2)cc1 ZINC001164449866 719003037 /nfs/dbraw/zinc/00/30/37/719003037.db2.gz PNQXLGBIWJZRSS-FUHWJXTLSA-N 1 0 392.881 4.406 20 0 GIADRO Fc1ccc(C(F)(F)N2CC[C@]3(C[NH2+]C[C@H]3c3ccccc3)C2)nc1Cl ZINC001164627530 719044286 /nfs/dbraw/zinc/04/42/86/719044286.db2.gz VTMLETFOMHCUHX-KSSFIOAISA-N 1 0 381.829 4.003 20 0 GIADRO Fc1ccc(Cl)nc1C(F)(F)N1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164628720 719045667 /nfs/dbraw/zinc/04/56/67/719045667.db2.gz ZKKKSUIDQMFGTB-RDTXWAMCSA-N 1 0 381.829 4.003 20 0 GIADRO Cc1ccc(Cl)nc1C(F)(F)N1CC[C@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164626595 719047292 /nfs/dbraw/zinc/04/72/92/719047292.db2.gz SHZFJUKTOYPDIS-LPHOPBHVSA-N 1 0 377.866 4.172 20 0 GIADRO CCOC(=O)c1cc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)ncc1Cl ZINC001164623667 719057907 /nfs/dbraw/zinc/05/79/07/719057907.db2.gz KHVTTWPASBTWGU-XLIONFOSSA-N 1 0 399.922 4.013 20 0 GIADRO Cc1nc(Cl)cc(C(F)(F)N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164618947 719064130 /nfs/dbraw/zinc/06/41/30/719064130.db2.gz BQXPSYNQTQUBJK-IAGOWNOFSA-N 1 0 392.881 4.084 20 0 GIADRO Clc1cnc2nc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)ccc2c1 ZINC001164620412 719075013 /nfs/dbraw/zinc/07/50/13/719075013.db2.gz DTSRKVOFHKLQIT-UYAOXDASSA-N 1 0 378.907 4.384 20 0 GIADRO Clc1ccnc2cc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)ncc12 ZINC001164629517 719076234 /nfs/dbraw/zinc/07/62/34/719076234.db2.gz XUFZTVFASUCXHV-LAUBAEHRSA-N 1 0 378.907 4.384 20 0 GIADRO Cc1cc(C(F)(F)N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c(Cl)nn1 ZINC001164622676 719099675 /nfs/dbraw/zinc/09/96/75/719099675.db2.gz CFKCLHCEYQNIMU-WMZOPIPTSA-N 1 0 392.881 4.084 20 0 GIADRO c1csc(-c2cc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)ncn2)c1 ZINC001164623427 719100841 /nfs/dbraw/zinc/10/08/41/719100841.db2.gz CZBCVQIALOXRTM-QUCCMNQESA-N 1 0 376.529 4.306 20 0 GIADRO Cc1nc(-c2ccncc2)nc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1C ZINC001164625125 719104385 /nfs/dbraw/zinc/10/43/85/719104385.db2.gz GQMCEWWMTKSHQV-DHIUTWEWSA-N 1 0 399.542 4.256 20 0 GIADRO c1ccc(C[N@@H+]2C[C@H]3CCCN(c4nccnc4Oc4ccccc4)[C@@H]3C2)cc1 ZINC001164621806 719106469 /nfs/dbraw/zinc/10/64/69/719106469.db2.gz AXQWJUMABOLIMD-IFMALSPDSA-N 1 0 386.499 4.370 20 0 GIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ncnc4ccccc42)CC3)cs1 ZINC001164691426 719804175 /nfs/dbraw/zinc/80/41/75/719804175.db2.gz GQZOJSNRWVMPJK-UHFFFAOYSA-N 1 0 379.533 4.030 20 0 GIADRO CCc1ncnc(Cl)c1N1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001164692416 719804665 /nfs/dbraw/zinc/80/46/65/719804665.db2.gz OGPQDWPVOOQMQC-UHFFFAOYSA-N 1 0 391.972 4.092 20 0 GIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ncnc4c(C)cccc42)CC3)cs1 ZINC001164690829 719805723 /nfs/dbraw/zinc/80/57/23/719805723.db2.gz AMWMEERLWCODIA-UHFFFAOYSA-N 1 0 393.560 4.338 20 0 GIADRO Fc1ccc2c(c1)cc(Cl)nc2N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164723173 720328437 /nfs/dbraw/zinc/32/84/37/720328437.db2.gz HILRLMJPIRVHQG-OALUTQOASA-N 1 0 382.870 4.276 20 0 GIADRO CC(C)(C)c1cc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)nc(C(C)(C)C)n1 ZINC001164734770 720432353 /nfs/dbraw/zinc/43/23/53/720432353.db2.gz UHVZRFLCWAUMDS-OALUTQOASA-N 1 0 393.579 4.320 20 0 GIADRO Fc1cc2ccnc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c2cc1Cl ZINC001164727481 720470123 /nfs/dbraw/zinc/47/01/23/720470123.db2.gz NCNVLIYHFDRPBN-PMACEKPBSA-N 1 0 382.870 4.276 20 0 GIADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2cc(-c3ccccc3)c3ccccc3n2)C1 ZINC001164734633 720523444 /nfs/dbraw/zinc/52/34/44/720523444.db2.gz RJJDERXGBLSYPJ-LJQANCHMSA-N 1 0 397.526 4.296 20 0 GIADRO Cc1ccc(C(F)(F)N([C@@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)nc1Cl ZINC001164736431 720545495 /nfs/dbraw/zinc/54/54/95/720545495.db2.gz YCXWLJZREBZREY-AWEZNQCLSA-N 1 0 387.902 4.104 20 0 GIADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncc(Cl)cc1F)CC2 ZINC001164837044 720664090 /nfs/dbraw/zinc/66/40/90/720664090.db2.gz AXTBLJFENGYYEW-GOSISDBHSA-N 1 0 389.902 4.134 20 0 GIADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncc(Cl)cc1F)CC2 ZINC001164837046 720664244 /nfs/dbraw/zinc/66/42/44/720664244.db2.gz AXTBLJFENGYYEW-SFHVURJKSA-N 1 0 389.902 4.134 20 0 GIADRO Cc1nc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)ccc1Cl ZINC001164840983 720684080 /nfs/dbraw/zinc/68/40/80/720684080.db2.gz GTUYLMUUTZXPAR-IBGZPJMESA-N 1 0 385.939 4.303 20 0 GIADRO Cc1ccc(C(F)(F)N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)nc1Cl ZINC001164863278 720967259 /nfs/dbraw/zinc/96/72/59/720967259.db2.gz ZMQSIGVRIIAKKO-CQSZACIVSA-N 1 0 397.901 4.206 20 0 GIADRO COc1ccc2c(C)cc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@@H]3C)nc2c1 ZINC001164858924 720977660 /nfs/dbraw/zinc/97/76/60/720977660.db2.gz JIBGZZKZTJEVPF-KRWDZBQOSA-N 1 0 393.535 4.170 20 0 GIADRO CSc1ccnc(Cl)c1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164863431 720977828 /nfs/dbraw/zinc/97/78/28/720977828.db2.gz VKIHNTSZFIBSEH-ZDUSSCGKSA-N 1 0 379.961 4.075 20 0 GIADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(C)(C)c1ccnc(Cl)c1)[C@@H]2C ZINC001164861021 721022534 /nfs/dbraw/zinc/02/25/34/721022534.db2.gz MUTKLWYEDHUBHS-OAHLLOKOSA-N 1 0 375.948 4.084 20 0 GIADRO Cc1cc2c(ncnc2N2CCC3(CC2)CC[NH+](Cc2ccc(C)cc2)CC3)[nH]1 ZINC001164759825 721043585 /nfs/dbraw/zinc/04/35/85/721043585.db2.gz QSRRBISYVYQNCN-UHFFFAOYSA-N 1 0 389.547 4.457 20 0 GIADRO c1ccc(-c2nc(-c3ccccc3)nc(N3CC4(C3)CC[N@@H+](CC3CC3)C4)n2)cc1 ZINC001164773746 721286723 /nfs/dbraw/zinc/28/67/23/721286723.db2.gz UFNBRGZWNONGSV-UHFFFAOYSA-N 1 0 397.526 4.128 20 0 GIADRO COc1cc(Cl)cc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164791997 721494646 /nfs/dbraw/zinc/49/46/46/721494646.db2.gz IWEZRVOQUPFSOZ-UHFFFAOYSA-N 1 0 386.927 4.020 20 0 GIADRO Cc1ccc2nc(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)ncc2c1 ZINC001164791583 721496136 /nfs/dbraw/zinc/49/61/36/721496136.db2.gz DVYRIPWWZJBEDG-UHFFFAOYSA-N 1 0 387.531 4.214 20 0 GIADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cnc(-c3ccccc3)cn1)CC2 ZINC001164796372 721499774 /nfs/dbraw/zinc/49/97/74/721499774.db2.gz RZTXYRASXJMEMU-UHFFFAOYSA-N 1 0 399.542 4.420 20 0 GIADRO FC1(F)CCN(c2nccc3ccccc32)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164905617 721586076 /nfs/dbraw/zinc/58/60/76/721586076.db2.gz KGKMBTBLPJQWQJ-JOCHJYFZSA-N 1 0 394.469 4.368 20 0 GIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)cc4[nH]ccc43)C[C@H]21 ZINC001165027578 721805423 /nfs/dbraw/zinc/80/54/23/721805423.db2.gz WKQGCOUFWGWRKW-XFQXTVEOSA-N 1 0 395.938 4.348 20 0 GIADRO Cc1cccc2ncnc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c12 ZINC001165027649 721814087 /nfs/dbraw/zinc/81/40/87/721814087.db2.gz VKWKYRLWMQPCGY-CZTZKLFOSA-N 1 0 387.531 4.070 20 0 GIADRO Cc1cc(Cl)c(C)nc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165024895 721817679 /nfs/dbraw/zinc/81/76/79/721817679.db2.gz KZRCTXBZRQBICM-DSKINZAPSA-N 1 0 384.955 4.484 20 0 GIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc(Cl)cc(C)n2)CC1 ZINC001165023573 721838081 /nfs/dbraw/zinc/83/80/81/721838081.db2.gz ZZCUPZJSCXIPBW-UHFFFAOYSA-N 1 0 389.927 4.161 20 0 GIADRO C[NH+](C)[C@H]1CCCN(c2nc(-c3cccnc3)nc3sc4c(c32)CCCC4)C1 ZINC000301167298 721895492 /nfs/dbraw/zinc/89/54/92/721895492.db2.gz RVNQXEPEWVIIDN-INIZCTEOSA-N 1 0 393.560 4.163 20 0 GIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(C(C)C)nc(C)n4)CC3)C2)cc1 ZINC001164938301 721920814 /nfs/dbraw/zinc/92/08/14/721920814.db2.gz KVKMRZZFLZRQJV-UHFFFAOYSA-N 1 0 394.563 4.088 20 0 GIADRO C[NH+](C)CC1CCN(c2nc(-c3ccc(Cl)s3)nc3c2CCC3)CC1 ZINC001165042959 721950358 /nfs/dbraw/zinc/95/03/58/721950358.db2.gz UUEDPJWEWLIWBA-UHFFFAOYSA-N 1 0 376.957 4.125 20 0 GIADRO FC(F)(c1cnc2c(Cl)ncnc2c1)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001165050484 721974164 /nfs/dbraw/zinc/97/41/64/721974164.db2.gz YVKCGDSLMVAXCR-OAHLLOKOSA-N 1 0 395.885 4.068 20 0 GIADRO FC(F)(c1nc2ccc(Cl)nc2[nH]1)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001165049551 721976714 /nfs/dbraw/zinc/97/67/14/721976714.db2.gz QDIXFEVYNSWJFK-CYBMUJFWSA-N 1 0 383.874 4.001 20 0 GIADRO Clc1nnc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c2ccccc12 ZINC001164952699 722014109 /nfs/dbraw/zinc/01/41/09/722014109.db2.gz ACOZPXUFDQYTKH-UHFFFAOYSA-N 1 0 393.922 4.171 20 0 GIADRO Clc1cc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c2c(n1)CCC2 ZINC001164952512 722015099 /nfs/dbraw/zinc/01/50/99/722015099.db2.gz MQIADOPVKOPHCG-UHFFFAOYSA-N 1 0 382.939 4.111 20 0 GIADRO Clc1ccc(Cl)c(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164952952 722015799 /nfs/dbraw/zinc/01/57/99/722015799.db2.gz PLYOQSNQDPSTEW-UHFFFAOYSA-N 1 0 377.319 4.276 20 0 GIADRO c1ccc2c(c1)[C@@H]1CN(c3ccc(C[NH+]4CCCC4)cn3)C[C@@H]1[C@H]2OCC1CC1 ZINC001164978788 722171369 /nfs/dbraw/zinc/17/13/69/722171369.db2.gz SHEXWJYTGGQBQG-LSQMVHIFSA-N 1 0 389.543 4.379 20 0 GIADRO Cc1csc2ncnc(N3CCC[C@@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)c12 ZINC001164993238 722191336 /nfs/dbraw/zinc/19/13/36/722191336.db2.gz DEVGGUDQPHBWLD-OAQYLSRUSA-N 1 0 382.508 4.384 20 0 GIADRO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2ncnc4ccc(F)cc42)C3)c1 ZINC001164994725 722193821 /nfs/dbraw/zinc/19/38/21/722193821.db2.gz PLCAQUFGLAQSIL-QFIPXVFZSA-N 1 0 380.442 4.153 20 0 GIADRO Cc1nc2ccc(F)cc2c(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164995467 722196455 /nfs/dbraw/zinc/19/64/55/722196455.db2.gz VAIHRVJESFYVEV-QHCPKHFHSA-N 1 0 394.469 4.461 20 0 GIADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2nc(Cl)cc(C4CC4)n2)C3)c1 ZINC001164995678 722200879 /nfs/dbraw/zinc/20/08/79/722200879.db2.gz PDVYIGKQICCATH-OAQYLSRUSA-N 1 0 386.902 4.391 20 0 GIADRO CSc1cnc(Cl)nc1N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164993719 722201428 /nfs/dbraw/zinc/20/14/28/722201428.db2.gz ADMPJBYBFXJXNF-LJQANCHMSA-N 1 0 392.931 4.236 20 0 GIADRO Cc1cc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc(C(C)(C)C)n1 ZINC001164995009 722209182 /nfs/dbraw/zinc/20/91/82/722209182.db2.gz KJTOBRNJTWSPAL-HSZRJFAPSA-N 1 0 382.527 4.467 20 0 GIADRO CC(C)Sc1ccc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nn1 ZINC001164998502 722210972 /nfs/dbraw/zinc/21/09/72/722210972.db2.gz WFFPPVAVDPVJFL-OAQYLSRUSA-N 1 0 386.540 4.361 20 0 GIADRO C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000458482002 823045916 /nfs/dbraw/zinc/04/59/16/823045916.db2.gz GSOZMAWVCHSNPL-HUUCEWRRSA-N 1 0 375.479 4.156 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000187340454 823046128 /nfs/dbraw/zinc/04/61/28/823046128.db2.gz VLRFKGOLGYZXIS-KRWDZBQOSA-N 1 0 385.471 4.189 20 0 GIADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)N[C@@H](c3ccccc3)c3ccc(Cl)cc3)C[C@@H]21 ZINC000570500981 823047111 /nfs/dbraw/zinc/04/71/11/823047111.db2.gz ABYWOHHCSOPPBB-PMXSJFBMSA-N 1 0 383.923 4.198 20 0 GIADRO COc1ccc([C@@H](C)CC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000175817398 823047015 /nfs/dbraw/zinc/04/70/15/823047015.db2.gz XCSIUZIKLHXGTH-IBGZPJMESA-N 1 0 380.532 4.217 20 0 GIADRO C[C@H](CCCc1cccnc1)NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000458491524 823047195 /nfs/dbraw/zinc/04/71/95/823047195.db2.gz JZTLTHNMDJUUGN-ZRCGQRJVSA-N 1 0 394.563 4.145 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)Nc2cc(N3CCCC3=O)ccc2F)cc1 ZINC000055810568 823047481 /nfs/dbraw/zinc/04/74/81/823047481.db2.gz IBCPFIJQOIPIBJ-UHFFFAOYSA-N 1 0 383.467 4.047 20 0 GIADRO O[C@@H](C[NH2+]Cc1cccc(COCC(F)(F)F)c1)Cc1cccc(Cl)c1 ZINC000570508943 823047941 /nfs/dbraw/zinc/04/79/41/823047941.db2.gz PNGOXMIUQZWQMY-GOSISDBHSA-N 1 0 387.829 4.112 20 0 GIADRO CCOC(=O)c1c(C)c2ccccc2nc1C[N@@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000570511922 823048148 /nfs/dbraw/zinc/04/81/48/823048148.db2.gz KRMHGYQRLSZLLK-UWJYYQICSA-N 1 0 382.504 4.111 20 0 GIADRO CCC(CC)[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2S(=O)(=O)CC)CCO1 ZINC000187355400 823048338 /nfs/dbraw/zinc/04/83/38/823048338.db2.gz ULAXGOQKFLILCD-FUHWJXTLSA-N 1 0 387.973 4.207 20 0 GIADRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000570515129 823048616 /nfs/dbraw/zinc/04/86/16/823048616.db2.gz GFXPSQACRWKTSY-YJBOKZPZSA-N 1 0 379.504 4.173 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC1CCC(C(F)F)CC1 ZINC000458509480 823048946 /nfs/dbraw/zinc/04/89/46/823048946.db2.gz PLYNOJMJZDSJBJ-HJZRJOMTSA-N 1 0 379.495 4.020 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH2+]Cc1cn(C)nc1-c1ccccc1 ZINC000187357502 823049108 /nfs/dbraw/zinc/04/91/08/823049108.db2.gz DZSDDCCOUGTUIU-UHFFFAOYSA-N 1 0 384.483 4.448 20 0 GIADRO Cc1cc([C@H]([NH2+][C@H]2CCC[C@@H](N3CCCC3=O)C2)c2cccnc2)ccc1F ZINC000570528677 823050273 /nfs/dbraw/zinc/05/02/73/823050273.db2.gz IHGFMKNDLWHXBA-MZKRTTBSSA-N 1 0 381.495 4.142 20 0 GIADRO CC[NH+](CC)[C@H]1CCN(C(=O)N[C@@H](C)c2sc(-c3ccccc3)nc2C)C1 ZINC000175834111 823050783 /nfs/dbraw/zinc/05/07/83/823050783.db2.gz AFNOSAGQWBOENT-WMZOPIPTSA-N 1 0 386.565 4.305 20 0 GIADRO CC(C)[C@H]([NH2+][C@@H](C)C1CCS(=O)(=O)CC1)c1ccc(C(F)(F)F)cc1 ZINC000187386840 823054050 /nfs/dbraw/zinc/05/40/50/823054050.db2.gz YDLLZOLEHQNBGJ-GUYCJALGSA-N 1 0 377.472 4.205 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(NC(=O)OC(C)(C)C)cc2)[C@H](C)C1 ZINC000120730223 823054025 /nfs/dbraw/zinc/05/40/25/823054025.db2.gz CNINKRXMWHVCHI-CRAIPNDOSA-N 1 0 390.528 4.228 20 0 GIADRO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@H](C(F)(F)F)C1(C)C)[NH+](C)C ZINC000570541239 823051550 /nfs/dbraw/zinc/05/15/50/823051550.db2.gz MLJMARSOINRZHI-XIRDDKMYSA-N 1 0 385.474 4.359 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCC([C@@H]3CCCO3)CC2)cc1 ZINC000187375173 823051966 /nfs/dbraw/zinc/05/19/66/823051966.db2.gz YMIXHSLZGVENFL-CVDCTZTESA-N 1 0 399.579 4.162 20 0 GIADRO CCc1ccc([C@@H](C)C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)cc1 ZINC000120722406 823052422 /nfs/dbraw/zinc/05/24/22/823052422.db2.gz IHHGGNJUHKQIKU-GOSISDBHSA-N 1 0 380.532 4.196 20 0 GIADRO Cc1sc([C@@H](C)NC(=O)NCC[C@H]2CCC[NH2+]2)nc1-c1ccc(Cl)cc1 ZINC000570549389 823052758 /nfs/dbraw/zinc/05/27/58/823052758.db2.gz VHTWATMXJZTJLJ-MLGOLLRUSA-N 1 0 392.956 4.274 20 0 GIADRO O=C(c1ccccc1C(F)(F)F)N1CCC([NH2+]Cc2ccc(F)cc2F)CC1 ZINC000187381325 823053025 /nfs/dbraw/zinc/05/30/25/823053025.db2.gz JBTRHYOZHPFDAJ-UHFFFAOYSA-N 1 0 398.375 4.378 20 0 GIADRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ocnc1-c1ccccc1 ZINC000570591346 823058891 /nfs/dbraw/zinc/05/88/91/823058891.db2.gz JPSKFIZNJFAATB-MRXNPFEDSA-N 1 0 381.501 4.045 20 0 GIADRO COc1ccccc1COC1CC[NH+](C[C@H](O)c2ccc(F)cc2Cl)CC1 ZINC000187394867 823055407 /nfs/dbraw/zinc/05/54/07/823055407.db2.gz SXOUBVLWRBKTHF-FQEVSTJZSA-N 1 0 393.886 4.202 20 0 GIADRO Cc1csc([C@@H](NC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)C2CC2)n1 ZINC000175851729 823055693 /nfs/dbraw/zinc/05/56/93/823055693.db2.gz HZDJCXPSYTWNPV-MJGOQNOKSA-N 1 0 390.597 4.200 20 0 GIADRO COc1ccccc1NC(=O)C[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1 ZINC000175864848 823058628 /nfs/dbraw/zinc/05/86/28/823058628.db2.gz FIBVAEUREQBKKS-AEFFLSMTSA-N 1 0 388.533 4.064 20 0 GIADRO c1csc(CCCc2nnc(N3CC[C@H](C[NH+]4CCCCC4)C3)n2C2CC2)c1 ZINC000570577186 823056965 /nfs/dbraw/zinc/05/69/65/823056965.db2.gz WZJISZPKLYHUAB-GOSISDBHSA-N 1 0 399.608 4.162 20 0 GIADRO Cn1c(C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2cccs2)nnc1-c1ccccc1 ZINC000175859188 823057063 /nfs/dbraw/zinc/05/70/63/823057063.db2.gz LZIHRCGAKDFDTM-OALUTQOASA-N 1 0 396.560 4.412 20 0 GIADRO COc1ccc(C(=O)CCC(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)cc1F ZINC000175863652 823058339 /nfs/dbraw/zinc/05/83/39/823058339.db2.gz PHMBADWBNMERKW-UHFFFAOYSA-N 1 0 398.478 4.074 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+]CCc2cc(F)cc3c2OCOC3)cc1OCC ZINC000120764645 823059777 /nfs/dbraw/zinc/05/97/77/823059777.db2.gz ASAUBLNEAVOKNW-HNNXBMFYSA-N 1 0 389.467 4.383 20 0 GIADRO COC(=O)COc1c(C)cc(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)cc1C ZINC000120773142 823061214 /nfs/dbraw/zinc/06/12/14/823061214.db2.gz WUGJLWUFFWTUTI-KNQAVFIVSA-N 1 0 397.515 4.113 20 0 GIADRO C[C@H]1C[C@H](CCNC(=O)N2CC(C)(CC(F)(F)F)C2)C[N@@H+]1Cc1ccccc1 ZINC000458606963 823062758 /nfs/dbraw/zinc/06/27/58/823062758.db2.gz WZBCXAXDFIXKLM-WMZOPIPTSA-N 1 0 397.485 4.271 20 0 GIADRO CC[C@H](C(=O)Nc1cc(OC)c(Cl)cc1OC)[N@H+](C)Cc1ccccc1 ZINC000570616440 823062854 /nfs/dbraw/zinc/06/28/54/823062854.db2.gz MMEJUJCLDJYYFT-QGZVFWFLSA-N 1 0 376.884 4.206 20 0 GIADRO C[N@@H+]1CC[C@@H](CNC(=O)N2CC(C(C)(C)C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000458613644 823063806 /nfs/dbraw/zinc/06/38/06/823063806.db2.gz JDZUUPZLIQRVPT-KSSFIOAISA-N 1 0 381.923 4.159 20 0 GIADRO O=C(CC[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1)N1CCc2sccc2C1 ZINC000055902113 823064011 /nfs/dbraw/zinc/06/40/11/823064011.db2.gz STTDIOTYEBPKIK-KRWDZBQOSA-N 1 0 395.528 4.044 20 0 GIADRO CCc1cccc(Oc2ccc(NC(=O)[C@@H]([NH2+]C3CCOCC3)C(C)C)cn2)c1 ZINC000175901663 823067636 /nfs/dbraw/zinc/06/76/36/823067636.db2.gz FTHUAMGFZJIBSO-QFIPXVFZSA-N 1 0 397.519 4.168 20 0 GIADRO C[C@@H](NC(=O)NCc1ccc(C(C)(F)F)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000458621832 823065129 /nfs/dbraw/zinc/06/51/29/823065129.db2.gz AYBUMKIGMLGMNI-WBVHZDCISA-N 1 0 379.495 4.251 20 0 GIADRO C[C@H](c1ccncc1)N(C)C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000187449640 823065765 /nfs/dbraw/zinc/06/57/65/823065765.db2.gz XCBZJELPMJZGRE-RDTXWAMCSA-N 1 0 394.441 4.106 20 0 GIADRO C[C@@H](c1ccncc1)N(C)C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000187449621 823065808 /nfs/dbraw/zinc/06/58/08/823065808.db2.gz XCBZJELPMJZGRE-KBXCAEBGSA-N 1 0 394.441 4.106 20 0 GIADRO CCN(CC)C(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@H]2c2cccc(C)c2)c1 ZINC000055910569 823065959 /nfs/dbraw/zinc/06/59/59/823065959.db2.gz HLGJTBFXHWDKOI-QFIPXVFZSA-N 1 0 393.531 4.253 20 0 GIADRO O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)c1cnccc1C(F)(F)F ZINC000570643110 823066225 /nfs/dbraw/zinc/06/62/25/823066225.db2.gz MFBZRYBIAAOQOP-UHFFFAOYSA-N 1 0 393.409 4.217 20 0 GIADRO C[C@H](c1ccco1)N(C)C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000187452548 823066406 /nfs/dbraw/zinc/06/64/06/823066406.db2.gz VXTSWODHCUEWRO-CJNGLKHVSA-N 1 0 383.414 4.304 20 0 GIADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)N[C@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000187456684 823066972 /nfs/dbraw/zinc/06/69/72/823066972.db2.gz GPUGQEVPMBEFAK-RTWAWAEBSA-N 1 0 395.547 4.297 20 0 GIADRO CC(C)[C@@H](CNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)c1cccnc1 ZINC000175904094 823068414 /nfs/dbraw/zinc/06/84/14/823068414.db2.gz GIFQXRNEURSEIP-IFMALSPDSA-N 1 0 386.584 4.119 20 0 GIADRO C[C@H](N[C@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(N2CCOC2=O)cc1 ZINC000120810601 823068838 /nfs/dbraw/zinc/06/88/38/823068838.db2.gz OHTBMYZDKOHTDF-PGRDOPGGSA-N 1 0 379.504 4.131 20 0 GIADRO O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@@H]1C1CCC1 ZINC000175908123 823069858 /nfs/dbraw/zinc/06/98/58/823069858.db2.gz RSFMIMMCARDMQV-HSZRJFAPSA-N 1 0 399.579 4.032 20 0 GIADRO COc1ccc(C[NH2+][C@@H]2CCc3c2cc(Br)cc3Cl)c(OC)n1 ZINC000570671464 823070081 /nfs/dbraw/zinc/07/00/81/823070081.db2.gz QTVFYHBWMAQRKF-OAHLLOKOSA-N 1 0 397.700 4.292 20 0 GIADRO COc1cccc(-c2nn(C(C)(C)C)cc2C[N@H+](C)CCc2ccccn2)c1 ZINC000120820864 823071112 /nfs/dbraw/zinc/07/11/12/823071112.db2.gz IWKZQKUPOTXAAZ-UHFFFAOYSA-N 1 0 378.520 4.383 20 0 GIADRO C[C@H](NC(=O)C[C@H]1CCCC[C@H]1[NH3+])c1cccc(NC(=O)c2ccccc2)c1 ZINC000570679537 823071293 /nfs/dbraw/zinc/07/12/93/823071293.db2.gz OEMSIKGDCJJQDQ-LDQXTDLNSA-N 1 0 379.504 4.024 20 0 GIADRO C[NH+]1CCC(CCNC(=O)CCSc2ccnc3cc(Cl)ccc32)CC1 ZINC000175926269 823074560 /nfs/dbraw/zinc/07/45/60/823074560.db2.gz PCTXUEYIJSMRDK-UHFFFAOYSA-N 1 0 391.968 4.219 20 0 GIADRO C[C@@H](N[C@H](C[NH+]1CCCC1)c1ccccc1)c1cccc(N2CCCC2=O)c1 ZINC000120840048 823074643 /nfs/dbraw/zinc/07/46/43/823074643.db2.gz RGPHNTFDPPWTJZ-AUSIDOKSSA-N 1 0 377.532 4.301 20 0 GIADRO CCOCc1cccc(NC(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)c1 ZINC000175931000 823075892 /nfs/dbraw/zinc/07/58/92/823075892.db2.gz XAGKSIUNWOEVIO-LJQANCHMSA-N 1 0 381.520 4.351 20 0 GIADRO Cc1ccc(-c2nnc([C@H](C)[N@@H+]3CCC[C@H](CNC(=O)C(C)(C)C)C3)o2)cc1C ZINC000120855049 823077445 /nfs/dbraw/zinc/07/74/45/823077445.db2.gz KRJKKODFFQDOLQ-ZWKOTPCHSA-N 1 0 398.551 4.289 20 0 GIADRO C[C@H](C(=O)Nc1ccccc1CN1CCSCC1)c1c(F)cccc1F ZINC000120855208 823077698 /nfs/dbraw/zinc/07/76/98/823077698.db2.gz YSLNOIGJIYZNDN-AWEZNQCLSA-N 1 0 376.472 4.256 20 0 GIADRO C[C@@H](CCCC(F)(F)F)NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458717289 823077829 /nfs/dbraw/zinc/07/78/29/823077829.db2.gz UBBQDHICJWBLME-LBPRGKRZSA-N 1 0 391.400 4.166 20 0 GIADRO CC(C)[C@H]1CN(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)[C@H]1C(C)C ZINC000458721901 823078216 /nfs/dbraw/zinc/07/82/16/823078216.db2.gz ADHBICFBNJHBMN-HIEASXQVSA-N 1 0 389.506 4.114 20 0 GIADRO CC(=O)N1CC[C@H]([NH2+]Cc2ccc3c(c2)COC(C)(C)O3)c2ccc(F)cc2C1 ZINC000187525769 823081552 /nfs/dbraw/zinc/08/15/52/823081552.db2.gz NTJUGIBVBWZNDI-NRFANRHFSA-N 1 0 398.478 4.054 20 0 GIADRO CCC[C@@H](NC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C1CCC1 ZINC000458721994 823078352 /nfs/dbraw/zinc/07/83/52/823078352.db2.gz APSLWXBWTGSZHK-OFLPRAFFSA-N 1 0 375.479 4.060 20 0 GIADRO CCC[C@H](NC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C1CCCC1 ZINC000458722994 823078402 /nfs/dbraw/zinc/07/84/02/823078402.db2.gz AQTOUQCGCXWYLE-ABHNRTSZSA-N 1 0 389.506 4.450 20 0 GIADRO Cn1cc([C@H]2C[N@@H+]([C@@H](C(=O)Nc3ccccc3)c3ccccc3)CC2(C)C)cn1 ZINC000570735899 823078612 /nfs/dbraw/zinc/07/86/12/823078612.db2.gz AGCMLIJUDIXPGR-FGZHOGPDSA-N 1 0 388.515 4.226 20 0 GIADRO C[C@@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]Cc1ccc(C(F)F)cc1 ZINC000187525086 823081655 /nfs/dbraw/zinc/08/16/55/823081655.db2.gz HRYOSKIGBFABRT-YOEHRIQHSA-N 1 0 384.467 4.128 20 0 GIADRO CO[C@@H](C)c1noc(CN2CCCC[C@H]2Cc2ccccc2Br)n1 ZINC000570744169 823079490 /nfs/dbraw/zinc/07/94/90/823079490.db2.gz FIVNZWLQVLSUOL-ZFWWWQNUSA-N 1 0 394.313 4.137 20 0 GIADRO CC1(CC(F)(F)F)CN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000458737713 823079941 /nfs/dbraw/zinc/07/99/41/823079941.db2.gz IXPJNPCOHYJMPW-KRWDZBQOSA-N 1 0 397.485 4.271 20 0 GIADRO Cc1cc(C)c(NC(=O)N2CCC([NH+]3CCCC3)CC2)cc1Br ZINC000187520810 823080402 /nfs/dbraw/zinc/08/04/02/823080402.db2.gz KHRMZCHXEIGHGD-UHFFFAOYSA-N 1 0 380.330 4.158 20 0 GIADRO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)N1C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000458741885 823080349 /nfs/dbraw/zinc/08/03/49/823080349.db2.gz NEJCSJSEBWVJJJ-NBMJBFSESA-N 1 0 397.485 4.269 20 0 GIADRO COc1ccc(C[C@@H](C)C[NH2+][C@@H](c2cnn(C)c2)c2ccc(F)cc2)cc1F ZINC000187527498 823082120 /nfs/dbraw/zinc/08/21/20/823082120.db2.gz MBRBWNKKUHYBME-IVZQSRNASA-N 1 0 385.458 4.265 20 0 GIADRO CCCC[N@H+](C)C[C@H](C)NC(=O)Nc1cc(NC(=O)C(C)(C)C)ccc1C ZINC000570758501 823082171 /nfs/dbraw/zinc/08/21/71/823082171.db2.gz SQLHFFMTADWUER-INIZCTEOSA-N 1 0 376.545 4.222 20 0 GIADRO Cc1cccc(Oc2ncccc2NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1C ZINC000570782524 823086627 /nfs/dbraw/zinc/08/66/27/823086627.db2.gz ZHWHOGVDRFYCDX-JWTNVVGKSA-N 1 0 380.492 4.237 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)CC1 ZINC000175958490 823082253 /nfs/dbraw/zinc/08/22/53/823082253.db2.gz CZZFQRPPSRWXNL-GOSISDBHSA-N 1 0 386.565 4.265 20 0 GIADRO CCC[C@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(F)cc1F ZINC000120890063 823082761 /nfs/dbraw/zinc/08/27/61/823082761.db2.gz CGOHIJDARDSENQ-VLIAUNLRSA-N 1 0 396.503 4.407 20 0 GIADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NCc2cnc(-c3ccc(Cl)cc3)s2)C1 ZINC000458767366 823083283 /nfs/dbraw/zinc/08/32/83/823083283.db2.gz QGPCBBYINXCCQQ-MRXNPFEDSA-N 1 0 392.956 4.088 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CCc1c(F)cccc1F ZINC000120898695 823083956 /nfs/dbraw/zinc/08/39/56/823083956.db2.gz HDJNOAGNCUAPRS-LBPRGKRZSA-N 1 0 382.838 4.176 20 0 GIADRO c1cc(-c2n[nH]cc2CN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cs1 ZINC000570766962 823084055 /nfs/dbraw/zinc/08/40/55/823084055.db2.gz DPPZSQACVSAOQJ-GHTZIAJQSA-N 1 0 378.545 4.092 20 0 GIADRO c1ccc(COc2ccc(C[NH2+]C3CCN(Cc4ccncc4)CC3)cc2)cc1 ZINC000120903680 823084645 /nfs/dbraw/zinc/08/46/45/823084645.db2.gz QTRGUIUFZMIBMX-UHFFFAOYSA-N 1 0 387.527 4.415 20 0 GIADRO 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 ZINC000458784269 823085138 /nfs/dbraw/zinc/08/51/38/823085138.db2.gz XLQYCPCKHKLRBQ-JKZXVMJMSA-N 1 0 375.944 4.304 20 0 GIADRO O[C@@H](C[NH2+]C1(c2ccc(Cl)cc2)CCOCC1)COc1ccccc1Cl ZINC000120920305 823086971 /nfs/dbraw/zinc/08/69/71/823086971.db2.gz RVZQFUIAFGVRAE-KRWDZBQOSA-N 1 0 396.314 4.029 20 0 GIADRO CC[NH+](CC)CCOc1cc(NC(=O)N(C)[C@H](C)C2(C)CC2)ccc1OC ZINC000175973731 823086177 /nfs/dbraw/zinc/08/61/77/823086177.db2.gz AOMCEEXIZJSRGG-MRXNPFEDSA-N 1 0 377.529 4.068 20 0 GIADRO CCOC(=O)c1sc2[nH]c([C@H](C)[NH2+][C@H](C)c3ccccc3C)nc(=O)c2c1C ZINC000120955145 823092206 /nfs/dbraw/zinc/09/22/06/823092206.db2.gz SONCUJLORPRJOQ-KGLIPLIRSA-N 1 0 399.516 4.190 20 0 GIADRO Cc1cc(Br)ccc1C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000120930389 823088573 /nfs/dbraw/zinc/08/85/73/823088573.db2.gz JPRDYOSUPFGQJV-UHFFFAOYSA-N 1 0 385.309 4.180 20 0 GIADRO CC(C)CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000056153074 823089727 /nfs/dbraw/zinc/08/97/27/823089727.db2.gz CTACSVGWRONMHF-ROUUACIJSA-N 1 0 381.520 4.140 20 0 GIADRO C[NH+](C)CCN(Cc1cccs1)C(=O)NCc1ccc(C(C)(F)F)cc1 ZINC000458809815 823090012 /nfs/dbraw/zinc/09/00/12/823090012.db2.gz HINMHXIPWPFPGF-UHFFFAOYSA-N 1 0 381.492 4.133 20 0 GIADRO COc1cc(C)c([C@@H](C)[NH2+][C@H](C)C(=O)NCc2ccccc2Cl)cc1OC ZINC000056153887 823090536 /nfs/dbraw/zinc/09/05/36/823090536.db2.gz PLOPUYOACDSYPI-HUUCEWRRSA-N 1 0 390.911 4.021 20 0 GIADRO COc1cc(Br)ccc1C[NH2+][C@H](C)c1ccc(NC(C)=O)cc1 ZINC000187576260 823091299 /nfs/dbraw/zinc/09/12/99/823091299.db2.gz RAOWCYHRXUFPFO-GFCCVEGCSA-N 1 0 377.282 4.267 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCC[C@@H](N2CCCC2=O)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000570828008 823092615 /nfs/dbraw/zinc/09/26/15/823092615.db2.gz SEOWRNDHPKJAEN-USXIJHARSA-N 1 0 384.442 4.212 20 0 GIADRO CC(C)Oc1cccc([C@H](C)[NH2+][C@@H](C)C(=O)NC(=O)Nc2ccccc2F)c1 ZINC000056156771 823091666 /nfs/dbraw/zinc/09/16/66/823091666.db2.gz NAIWHSRUTFUONK-GJZGRUSLSA-N 1 0 387.455 4.000 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CN[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000056156214 823091679 /nfs/dbraw/zinc/09/16/79/823091679.db2.gz KQCXFBJWEKWODA-DVECYGJZSA-N 1 0 391.559 4.171 20 0 GIADRO Cc1ccc(NC(=O)N(CC[NH+](C)C)Cc2cccs2)cc1OC(F)F ZINC000176005121 823093710 /nfs/dbraw/zinc/09/37/10/823093710.db2.gz FPLOMNAJZOKMDL-UHFFFAOYSA-N 1 0 383.464 4.254 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)NC[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)CC[N@@H+]1C ZINC000458830339 823093763 /nfs/dbraw/zinc/09/37/63/823093763.db2.gz CHYNDJXBYRLLPX-GZIXRCOHSA-N 1 0 384.351 4.221 20 0 GIADRO CC(C)Oc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NC(=O)Nc2ccccc2F)cc1 ZINC000056163586 823094035 /nfs/dbraw/zinc/09/40/35/823094035.db2.gz QZSVFWOKMBHRMV-GJZGRUSLSA-N 1 0 387.455 4.000 20 0 GIADRO C[NH+](C)CCN(Cc1ccco1)C(=O)NCC[C@H](c1ccccc1)C(F)(F)F ZINC000458833303 823094471 /nfs/dbraw/zinc/09/44/71/823094471.db2.gz BBRVHUYRVRCBRD-GOSISDBHSA-N 1 0 397.441 4.089 20 0 GIADRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]Cc1nc(C(C)(C)NC(=O)OC(C)(C)C)no1 ZINC000120968386 823094806 /nfs/dbraw/zinc/09/48/06/823094806.db2.gz GIIRHMKDOGIJEE-KGLIPLIRSA-N 1 0 380.533 4.134 20 0 GIADRO Cc1cccnc1[C@@H]([NH2+]CC(=O)N(C)Cc1c(F)cccc1Cl)C(C)C ZINC000120969692 823095057 /nfs/dbraw/zinc/09/50/57/823095057.db2.gz CTLUTDMQUQUYSG-IBGZPJMESA-N 1 0 377.891 4.128 20 0 GIADRO CC[NH+]1CCN(c2ccc(N[C@H](C)C(=O)Nc3ccc(C)c(C)c3)c(C)c2)CC1 ZINC000056170361 823095248 /nfs/dbraw/zinc/09/52/48/823095248.db2.gz HHWCPQBDLUBXKV-HXUWFJFHSA-N 1 0 394.563 4.193 20 0 GIADRO C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)NCCCCC[NH+]1CCCC1 ZINC000458841193 823095934 /nfs/dbraw/zinc/09/59/34/823095934.db2.gz FSCVJEWRYRHWHF-YLJYHZDGSA-N 1 0 393.959 4.078 20 0 GIADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000458840836 823096062 /nfs/dbraw/zinc/09/60/62/823096062.db2.gz UBONTBMFWJJPIP-QIIPPGSGSA-N 1 0 398.378 4.469 20 0 GIADRO C[NH+](C)CCN(Cc1cccs1)C(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC000176016516 823096660 /nfs/dbraw/zinc/09/66/60/823096660.db2.gz OXCLIEZNZURNNV-UHFFFAOYSA-N 1 0 385.455 4.449 20 0 GIADRO CSc1ccc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)s1 ZINC000570865101 823098367 /nfs/dbraw/zinc/09/83/67/823098367.db2.gz OYYZNBRIQHDQFC-LBPRGKRZSA-N 1 0 381.954 4.369 20 0 GIADRO CSc1ccc(CNc2ccc(C(=O)N(C)[C@H]3CCC[N@H+](C)C3)cc2)s1 ZINC000570865067 823098462 /nfs/dbraw/zinc/09/84/62/823098462.db2.gz NQHJUXORPLPJCK-KRWDZBQOSA-N 1 0 389.590 4.248 20 0 GIADRO C[NH+](C)CCN(Cc1cccs1)C(=O)Nc1ccc(OC2CCC2)c(F)c1 ZINC000176028737 823099598 /nfs/dbraw/zinc/09/95/98/823099598.db2.gz SFOGRIHZOILXNL-UHFFFAOYSA-N 1 0 391.512 4.414 20 0 GIADRO CCN(C(=O)NC1CC[NH+](C2CCCC2)CC1)[C@H](C)Cc1ccc(OC)cc1 ZINC000176030682 823100088 /nfs/dbraw/zinc/10/00/88/823100088.db2.gz PLYLGGSXRSAGND-GOSISDBHSA-N 1 0 387.568 4.065 20 0 GIADRO O=C(NC1CC[NH+](C2CCCC2)CC1)N(Cc1ccco1)Cc1ccccc1 ZINC000176031794 823100646 /nfs/dbraw/zinc/10/06/46/823100646.db2.gz GHPQRGLCKLWQQE-UHFFFAOYSA-N 1 0 381.520 4.398 20 0 GIADRO CCN(Cc1cccs1)C(=O)NC[C@@H](c1ccc(SC)cc1)[NH+](C)C ZINC000458879700 823101034 /nfs/dbraw/zinc/10/10/34/823101034.db2.gz CKDLQKAZJNJAAI-SFHVURJKSA-N 1 0 377.579 4.304 20 0 GIADRO Cc1ccccc1-n1cc(CNCc2c(C)cc(Br)cc2C)nn1 ZINC000570881593 823101224 /nfs/dbraw/zinc/10/12/24/823101224.db2.gz NMFFYWLZTCWHPY-UHFFFAOYSA-N 1 0 385.309 4.245 20 0 GIADRO CC(C)[C@@H](C(=O)NC1CC[NH+](Cc2ccccn2)CC1)c1cccc(Cl)c1 ZINC000176033719 823101403 /nfs/dbraw/zinc/10/14/03/823101403.db2.gz XIDBFQUVGIIEOP-OAQYLSRUSA-N 1 0 385.939 4.255 20 0 GIADRO CC[C@@]1(CO)CCC[N@@H+]([C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)C1 ZINC000187640865 823103335 /nfs/dbraw/zinc/10/33/35/823103335.db2.gz VQBFBYRYMGLPOR-LADGPHEKSA-N 1 0 380.532 4.468 20 0 GIADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2c(F)cc(C(F)(F)F)cc2F)C1 ZINC000570892891 823103507 /nfs/dbraw/zinc/10/35/07/823103507.db2.gz ZZBMATNAPVGASI-LBPRGKRZSA-N 1 0 378.385 4.081 20 0 GIADRO CC(C)[C@H](CC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)c1ccccc1 ZINC000176038870 823103645 /nfs/dbraw/zinc/10/36/45/823103645.db2.gz ARKYTAGSFMNFPR-DEOSSOPVSA-N 1 0 394.559 4.089 20 0 GIADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCC[C@@H](CCCc2ccccc2)C1 ZINC000121018632 823103895 /nfs/dbraw/zinc/10/38/95/823103895.db2.gz IVSCKSCLVCYTCH-FYYLOGMGSA-N 1 0 386.580 4.041 20 0 GIADRO COc1cccc(C[C@H]([NH2+]CCc2nccn2Cc2ccccc2)C2CC2)c1 ZINC000121021979 823104205 /nfs/dbraw/zinc/10/42/05/823104205.db2.gz PBAQQMXOZUGBHK-QHCPKHFHSA-N 1 0 375.516 4.093 20 0 GIADRO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+]C[C@@H](c1ccco1)N(C)C ZINC000121022128 823104456 /nfs/dbraw/zinc/10/44/56/823104456.db2.gz IFEPCZYLTBTYGD-SFHVURJKSA-N 1 0 390.890 4.018 20 0 GIADRO C[C@H](NC(=O)COC1CCC([NH3+])CC1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000570925730 823108414 /nfs/dbraw/zinc/10/84/14/823108414.db2.gz GPOWKMWWTSNBLT-ZLPCBKJTSA-N 1 0 386.467 4.082 20 0 GIADRO COc1ccc(C)cc1NC(=O)[C@@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1ccccc1 ZINC000187647851 823104583 /nfs/dbraw/zinc/10/45/83/823104583.db2.gz GUUDTRYCQLZYOO-RXVVDRJESA-N 1 0 382.504 4.231 20 0 GIADRO Cc1noc(COc2ccc(N[C@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)C3)cc2)n1 ZINC000121025002 823104668 /nfs/dbraw/zinc/10/46/68/823104668.db2.gz SHMWFPJRZNWXKR-UZLBHIALSA-N 1 0 378.476 4.032 20 0 GIADRO Clc1ccc(C2=CC[C@@H]([NH2+]CCc3nnnn3-c3ccccc3)CC2)cc1 ZINC000570897638 823104754 /nfs/dbraw/zinc/10/47/54/823104754.db2.gz JJBPLQKVTQYDBY-LJQANCHMSA-N 1 0 379.895 4.084 20 0 GIADRO C[N@@H+]1CC[C@@H](CSc2nnc(-c3ccc(F)cc3)n2Cc2ccccc2)C1 ZINC000187663431 823108450 /nfs/dbraw/zinc/10/84/50/823108450.db2.gz XFJPGYASYZDTSJ-QGZVFWFLSA-N 1 0 382.508 4.176 20 0 GIADRO COc1ccc(NC(=O)N2CCC[C@H]([NH+](C)C)CC2)c(OCc2ccccc2)c1 ZINC000570903065 823105734 /nfs/dbraw/zinc/10/57/34/823105734.db2.gz FMECJEOBGOPGMN-IBGZPJMESA-N 1 0 397.519 4.222 20 0 GIADRO CN(C(=O)NCC[C@H]1CCc2ccccc21)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458936728 823108859 /nfs/dbraw/zinc/10/88/59/823108859.db2.gz YZFLOHXQVJWXNO-QGZVFWFLSA-N 1 0 397.485 4.165 20 0 GIADRO CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000570909415 823106251 /nfs/dbraw/zinc/10/62/51/823106251.db2.gz NOXSTDBWBHSGGS-UHFFFAOYSA-N 1 0 382.339 4.239 20 0 GIADRO CC(C)[C@H](C(=O)NC1CC[NH+](Cc2ccncc2)CC1)c1cccc(Cl)c1 ZINC000176049135 823106455 /nfs/dbraw/zinc/10/64/55/823106455.db2.gz GKSPIAMNHDSTHM-NRFANRHFSA-N 1 0 385.939 4.255 20 0 GIADRO COc1ccc2c(c1)CN(C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1)[C@@H](c1ccccc1)C2 ZINC000570912383 823106477 /nfs/dbraw/zinc/10/64/77/823106477.db2.gz MBIMZSZXKPBVAY-ODOSVJCGSA-N 1 0 393.531 4.022 20 0 GIADRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)C1 ZINC000187658108 823107021 /nfs/dbraw/zinc/10/70/21/823107021.db2.gz SKWUNWHDSYEJOB-CQSZACIVSA-N 1 0 396.409 4.402 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000176051826 823107358 /nfs/dbraw/zinc/10/73/58/823107358.db2.gz BUEDGFAUJDGDKR-FQEVSTJZSA-N 1 0 399.510 4.038 20 0 GIADRO C[N@@H+]1CC[C@H](CSc2nnc(COc3ccccc3F)n2-c2ccccc2)C1 ZINC000187661835 823108090 /nfs/dbraw/zinc/10/80/90/823108090.db2.gz WWNYADIKAKTOSW-INIZCTEOSA-N 1 0 398.507 4.029 20 0 GIADRO C[NH+](C)CCCC1CCN(C(=O)N[C@H]2CCCC[C@H]2CC(F)(F)F)CC1 ZINC000458937618 823108889 /nfs/dbraw/zinc/10/88/89/823108889.db2.gz AUUWBMZLJFHTHX-IRXDYDNUSA-N 1 0 377.495 4.261 20 0 GIADRO COc1ccccc1-c1nnc(SC[C@@H]2CC[N@H+](C)C2)n1-c1ccc(C)cc1 ZINC000187667175 823109243 /nfs/dbraw/zinc/10/92/43/823109243.db2.gz PXXSYCXYIHZABX-QGZVFWFLSA-N 1 0 394.544 4.295 20 0 GIADRO CCN(Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000187691383 823113821 /nfs/dbraw/zinc/11/38/21/823113821.db2.gz TWGFIEXUMDRZAI-UHFFFAOYSA-N 1 0 390.531 4.495 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cc(F)ccc1Cl ZINC000176063568 823110289 /nfs/dbraw/zinc/11/02/89/823110289.db2.gz YSXQZEZVISFKTG-MRXNPFEDSA-N 1 0 375.875 4.465 20 0 GIADRO COc1cccc(C[C@@H]([NH2+]C2CCN(C(=O)C3CCCCC3)CC2)C2CC2)c1 ZINC000121059057 823110781 /nfs/dbraw/zinc/11/07/81/823110781.db2.gz JKADIKDKUBWUPQ-HSZRJFAPSA-N 1 0 384.564 4.177 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)N[C@H]2CCCOc3ccccc32)CC1 ZINC000176068081 823111778 /nfs/dbraw/zinc/11/17/78/823111778.db2.gz FTQBUSIDKMHDIT-QFIPXVFZSA-N 1 0 393.531 4.206 20 0 GIADRO CCN(Cc1c[nH]c2ccccc12)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000187681388 823112128 /nfs/dbraw/zinc/11/21/28/823112128.db2.gz XOVZDUOMQTUSKZ-HXUWFJFHSA-N 1 0 380.492 4.130 20 0 GIADRO Cc1cnc(C(C)(C)NC(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)s1 ZINC000458974073 823112408 /nfs/dbraw/zinc/11/24/08/823112408.db2.gz LYISSSZGULBCCL-UHFFFAOYSA-N 1 0 386.565 4.041 20 0 GIADRO CCC[C@H]([NH2+]C1CCN(C(=O)Cc2ccccc2OC)CC1)c1ccsc1 ZINC000187684179 823112431 /nfs/dbraw/zinc/11/24/31/823112431.db2.gz WRXBZMFWCKENNM-FQEVSTJZSA-N 1 0 386.561 4.421 20 0 GIADRO COc1ccc2c(c1)[C@@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1F)CCCS2 ZINC000187692330 823114121 /nfs/dbraw/zinc/11/41/21/823114121.db2.gz VTTKVLMPKWIZFX-AWEZNQCLSA-N 1 0 396.434 4.268 20 0 GIADRO CC1CC[NH+](CCCCNC(=O)CCc2ccc(Br)cc2)CC1 ZINC000176079528 823114300 /nfs/dbraw/zinc/11/43/00/823114300.db2.gz UCLIUCAVXWUGFR-UHFFFAOYSA-N 1 0 381.358 4.010 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1sc(C(C)(C)OC)nc1C)c1ccccc1 ZINC000570976117 823114477 /nfs/dbraw/zinc/11/44/77/823114477.db2.gz NPIZMKJARQUIDF-KRWDZBQOSA-N 1 0 389.565 4.146 20 0 GIADRO CC[N@H+](CCC1CCN(C(=O)NCCCc2ncccc2C)CC1)CC(C)C ZINC000458998611 823114607 /nfs/dbraw/zinc/11/46/07/823114607.db2.gz WWQJGLULECBZPJ-UHFFFAOYSA-N 1 0 388.600 4.112 20 0 GIADRO CC[C@H](NC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)c1ccncc1 ZINC000176084384 823115439 /nfs/dbraw/zinc/11/54/39/823115439.db2.gz BIIVMFNIQLCMAJ-QFIPXVFZSA-N 1 0 380.536 4.408 20 0 GIADRO CC[C@H](C)Oc1ccc(C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)cc1 ZINC000121083632 823115484 /nfs/dbraw/zinc/11/54/84/823115484.db2.gz MMDNZNDGQFLKCL-SFHVURJKSA-N 1 0 396.531 4.321 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@@H](C)C[C@H](O)c2ccc(F)cc2)nnn1-c1ccc(F)cc1 ZINC000121086093 823115850 /nfs/dbraw/zinc/11/58/50/823115850.db2.gz ZPXPDICTINJIRB-YRVVQQKDSA-N 1 0 386.446 4.017 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000121089935 823116570 /nfs/dbraw/zinc/11/65/70/823116570.db2.gz NNPULWWVJLIURG-RBUKOAKNSA-N 1 0 398.469 4.198 20 0 GIADRO CC[NH+](CC)[C@H](CN[C@H](c1ncc[nH]1)c1ccc(F)cc1)c1cccc(OC)c1 ZINC000187716597 823119503 /nfs/dbraw/zinc/11/95/03/823119503.db2.gz WRLYSGVYKBUYOP-YADHBBJMSA-N 1 0 396.510 4.320 20 0 GIADRO O=C(N[C@H](c1ccc(F)c(Cl)c1)C1CC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000459020650 823117734 /nfs/dbraw/zinc/11/77/34/823117734.db2.gz SEAHWTSSUBSZAE-LIRRHRJNSA-N 1 0 379.907 4.058 20 0 GIADRO C[C@@H](c1ccc(S(C)(=O)=O)cc1)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000187711169 823118198 /nfs/dbraw/zinc/11/81/98/823118198.db2.gz NVDXSCXRWZEVPR-OALUTQOASA-N 1 0 392.609 4.128 20 0 GIADRO C[C@@H]([NH2+]CC1CCN(CC(F)(F)F)CC1)c1ccccc1Br ZINC000187712103 823118219 /nfs/dbraw/zinc/11/82/19/823118219.db2.gz JXPYAEROJIRUFY-GFCCVEGCSA-N 1 0 379.264 4.374 20 0 GIADRO CSc1ccc([C@H](CNC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)[NH+](C)C)cc1 ZINC000571001681 823118322 /nfs/dbraw/zinc/11/83/22/823118322.db2.gz YVYUWKHJYIWYQO-VYDXJSESSA-N 1 0 388.499 4.496 20 0 GIADRO C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(OCCCNC(=O)OC(C)(C)C)CC1 ZINC000187712680 823118501 /nfs/dbraw/zinc/11/85/01/823118501.db2.gz FOUQNRBOIBWQTP-KRWDZBQOSA-N 1 0 387.524 4.015 20 0 GIADRO C[C@@H](c1ccccc1)[N@@H+](CC(=O)Nc1ccc(C(=O)N(C)C)cc1)CC1CCC1 ZINC000121108436 823119990 /nfs/dbraw/zinc/11/99/90/823119990.db2.gz UVLPRNRHGRHQRK-SFHVURJKSA-N 1 0 393.531 4.190 20 0 GIADRO C[NH+]1CCC(N(Cc2cccc(O)c2)Cc2ccccc2Br)CC1 ZINC000571013095 823120123 /nfs/dbraw/zinc/12/01/23/823120123.db2.gz YBOCKBZEXKRTDY-UHFFFAOYSA-N 1 0 389.337 4.251 20 0 GIADRO c1[nH]nc(-c2cccnc2)c1C[NH2+]CCc1ccc(OCc2ccccc2)cc1 ZINC000121110274 823120307 /nfs/dbraw/zinc/12/03/07/823120307.db2.gz DSXALBXKYQFUHQ-UHFFFAOYSA-N 1 0 384.483 4.383 20 0 GIADRO COc1cc(CCC(=O)NC2CC[NH+](CC3CCCC3)CC2)ccc1Cl ZINC000121110711 823120526 /nfs/dbraw/zinc/12/05/26/823120526.db2.gz RXESLGASPWAIIU-UHFFFAOYSA-N 1 0 378.944 4.052 20 0 GIADRO C[C@H](c1cc(F)ccc1F)[NH+]1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000056285019 823121005 /nfs/dbraw/zinc/12/10/05/823121005.db2.gz RSOQDZVORORZDH-CQSZACIVSA-N 1 0 376.422 4.193 20 0 GIADRO Cc1ccc(-c2n[nH]cc2CNc2ccc(N(C)C3CC[NH+](C)CC3)cc2)o1 ZINC000121114940 823121275 /nfs/dbraw/zinc/12/12/75/823121275.db2.gz CDWJGUUSKONXDF-UHFFFAOYSA-N 1 0 379.508 4.121 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(Cn3cncn3)cc1)CCCS2 ZINC000187734551 823121716 /nfs/dbraw/zinc/12/17/16/823121716.db2.gz CLKXNLGHBNWSSP-HXUWFJFHSA-N 1 0 380.517 4.052 20 0 GIADRO C[C@H]1C[C@H](NC(=O)c2cc(F)c(F)cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000176112921 823124477 /nfs/dbraw/zinc/12/44/77/823124477.db2.gz AVJSONFVCSRHMJ-DZGCQCFKSA-N 1 0 378.850 4.401 20 0 GIADRO C[C@H](C[C@H](O)c1cccs1)[NH2+]C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000121136519 823124545 /nfs/dbraw/zinc/12/45/45/823124545.db2.gz BTBYKAFVYNNKBK-KDOFPFPSSA-N 1 0 392.952 4.108 20 0 GIADRO CCO[C@H]1C[C@@]([NH3+])(C(=O)Nc2ccc3nc(-c4ccc(F)cc4)oc3c2)C1(C)C ZINC000187736604 823122325 /nfs/dbraw/zinc/12/23/25/823122325.db2.gz CJLLPFICVBASNE-PGRDOPGGSA-N 1 0 397.450 4.105 20 0 GIADRO Brc1cccc(OCC[NH2+]Cc2csc(-c3ccccn3)n2)c1 ZINC000121126914 823123126 /nfs/dbraw/zinc/12/31/26/823123126.db2.gz YQCKRDVASQOXIH-UHFFFAOYSA-N 1 0 390.306 4.136 20 0 GIADRO COCc1cc([C@@H](C)[NH2+]CC2=CCN(C(=O)OC(C)(C)C)CC2)ccc1OC ZINC000187742184 823123243 /nfs/dbraw/zinc/12/32/43/823123243.db2.gz RPQYXFWHHYRCQK-MRXNPFEDSA-N 1 0 390.524 4.059 20 0 GIADRO CC1CCN(C(=O)c2ccc(NC(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)cc2)CC1 ZINC000176112764 823124119 /nfs/dbraw/zinc/12/41/19/823124119.db2.gz ULCUZFHIPGCGAC-HXUWFJFHSA-N 1 0 397.563 4.152 20 0 GIADRO Cc1ccc(C[C@H](C)N(C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000121138698 823125114 /nfs/dbraw/zinc/12/51/14/823125114.db2.gz UAFOHUIDOUURDV-FQEVSTJZSA-N 1 0 379.548 4.232 20 0 GIADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(-c2nc3ccccc3s2)s1 ZINC000121139602 823125394 /nfs/dbraw/zinc/12/53/94/823125394.db2.gz RCHCEVRWHSPNPQ-ZFWWWQNUSA-N 1 0 385.558 4.437 20 0 GIADRO Cc1ccc(C(=O)CCC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)s1 ZINC000176117549 823125791 /nfs/dbraw/zinc/12/57/91/823125791.db2.gz ZQZJWFRPQRZPRV-VQIMIIECSA-N 1 0 384.545 4.189 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)c2cccc(NC(=O)NC3CC3)c2)c1 ZINC000056317531 823127324 /nfs/dbraw/zinc/12/73/24/823127324.db2.gz ZQEPGHLOWVTJHG-UHFFFAOYSA-N 1 0 380.492 4.065 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000459094217 823127331 /nfs/dbraw/zinc/12/73/31/823127331.db2.gz GYMKEDLWKWLFRZ-SFHVURJKSA-N 1 0 384.549 4.160 20 0 GIADRO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1[NH2+]Cc1nnc(-c2cc(C)oc2C)o1 ZINC000571069574 823127471 /nfs/dbraw/zinc/12/74/71/823127471.db2.gz OEHPACROZNDWHM-DFQSSKMNSA-N 1 0 381.476 4.387 20 0 GIADRO CN(C(=O)NC[C@H]1CCCC(C)(C)C1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000459115568 823130126 /nfs/dbraw/zinc/13/01/26/823130126.db2.gz NGZAOJGCABHGQA-HNNXBMFYSA-N 1 0 377.495 4.261 20 0 GIADRO CCCN(C(=O)N[C@@H](C)c1cnn(CC)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000459099944 823128117 /nfs/dbraw/zinc/12/81/17/823128117.db2.gz KZUZJZKXZVAEBU-UGKGYDQZSA-N 1 0 397.567 4.050 20 0 GIADRO CCC(CC)n1nc(C(=O)N(Cc2ccncc2)C[C@H]2CCC[N@@H+]2CC)cc1C ZINC000571071920 823128176 /nfs/dbraw/zinc/12/81/76/823128176.db2.gz UEFCUKLTZYQUFL-OAQYLSRUSA-N 1 0 397.567 4.074 20 0 GIADRO COc1ccc2c(CC(=O)Nc3ccc(CC[NH+]4CCCC4)cc3)coc2c1 ZINC000056326410 823128536 /nfs/dbraw/zinc/12/85/36/823128536.db2.gz NQOZGVXVPUTBQZ-UHFFFAOYSA-N 1 0 378.472 4.261 20 0 GIADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)N[C@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000459107220 823128693 /nfs/dbraw/zinc/12/86/93/823128693.db2.gz XNSVIFBGUVWJLS-BEKAIBRUSA-N 1 0 377.960 4.348 20 0 GIADRO C[N@H+](Cc1cnc(N2CCOCC2)s1)Cc1ccccc1-c1ccccc1 ZINC000121154511 823128965 /nfs/dbraw/zinc/12/89/65/823128965.db2.gz PEXUNHDWOQBERL-UHFFFAOYSA-N 1 0 379.529 4.279 20 0 GIADRO C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)cc1 ZINC000056331942 823129477 /nfs/dbraw/zinc/12/94/77/823129477.db2.gz JYMKSAQWKRNGSI-VGSWGCGISA-N 1 0 391.515 4.172 20 0 GIADRO Cc1cc(=O)[nH]c2cc(C(=O)Nc3cccc(CC[N@@H+](C)C4CC4)c3)ccc12 ZINC000571084187 823129584 /nfs/dbraw/zinc/12/95/84/823129584.db2.gz ODYYKRVFQRAJBJ-UHFFFAOYSA-N 1 0 375.472 4.138 20 0 GIADRO Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000121163872 823130489 /nfs/dbraw/zinc/13/04/89/823130489.db2.gz AGZQDYMHSSOXPC-KRWDZBQOSA-N 1 0 396.535 4.345 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)[C@H]2SCCc3sccc32)CC[N@@H+]1Cc1ccccc1 ZINC000176129314 823130755 /nfs/dbraw/zinc/13/07/55/823130755.db2.gz LWRIVHGGJOUBFA-MDYRTPRTSA-N 1 0 386.586 4.248 20 0 GIADRO CCN(Cc1c[nH]c2ccccc12)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000187778408 823131341 /nfs/dbraw/zinc/13/13/41/823131341.db2.gz WHFXRDOSVZHIBO-UHFFFAOYSA-N 1 0 390.531 4.495 20 0 GIADRO C[C@@H](C[C@H](O)c1cccs1)[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000121173458 823132012 /nfs/dbraw/zinc/13/20/12/823132012.db2.gz OSPFMCILSDJCSJ-KSSFIOAISA-N 1 0 392.952 4.108 20 0 GIADRO Fc1ccc(C[NH+]2CCC(N[C@@H](c3ncc[nH]3)c3ccc(F)cc3)CC2)cc1 ZINC000187797473 823135460 /nfs/dbraw/zinc/13/54/60/823135460.db2.gz JEBOKPHSUDXBBD-OAQYLSRUSA-N 1 0 382.458 4.032 20 0 GIADRO CCCOc1ccc(-c2nc(C(=O)N(C)[C@H]3CC[N@H+](C)C[C@@H]3C)cs2)cc1 ZINC000121175394 823132341 /nfs/dbraw/zinc/13/23/41/823132341.db2.gz VGCGAMFHIUVDBG-KXBFYZLASA-N 1 0 387.549 4.011 20 0 GIADRO CSCc1cnc(CNc2cc(C[NH+]3CCSCC3)ccc2C)s1 ZINC000571109029 823133583 /nfs/dbraw/zinc/13/35/83/823133583.db2.gz JVLYSEDWETYBOH-UHFFFAOYSA-N 1 0 379.620 4.475 20 0 GIADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000459140356 823133700 /nfs/dbraw/zinc/13/37/00/823133700.db2.gz NIHVQZFVOLAANE-MOXGXCLJSA-N 1 0 377.960 4.348 20 0 GIADRO C[C@H](CC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)c1ccc(F)cc1 ZINC000571112131 823133926 /nfs/dbraw/zinc/13/39/26/823133926.db2.gz NYZLEAGQAVSABH-NTKDMRAZSA-N 1 0 380.507 4.444 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccccc2O[C@@H](C)C(F)(F)F)C[C@@H]1C ZINC000571123381 823135688 /nfs/dbraw/zinc/13/56/88/823135688.db2.gz VDRBDXDHLIDJQT-KKUMJFAQSA-N 1 0 387.446 4.353 20 0 GIADRO C[NH+](C)CCN(Cc1ccco1)C(=O)c1cc(C2CC2)nc2ccc(F)cc21 ZINC000121189188 823134983 /nfs/dbraw/zinc/13/49/83/823134983.db2.gz MKHHSFKOJKTSLY-UHFFFAOYSA-N 1 0 381.451 4.048 20 0 GIADRO COc1cccc(-c2nn(C(C)(C)C)cc2C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000121196191 823136228 /nfs/dbraw/zinc/13/62/28/823136228.db2.gz PLGPYEAINZHTNK-SFHVURJKSA-N 1 0 393.535 4.416 20 0 GIADRO Cc1cnccc1CC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000571146266 823140328 /nfs/dbraw/zinc/14/03/28/823140328.db2.gz FIVVRKDADREZLY-FGAQOYRHSA-N 1 0 397.950 4.316 20 0 GIADRO Cc1oc(NC(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)nc1C1CC1 ZINC000571139721 823140046 /nfs/dbraw/zinc/14/00/46/823140046.db2.gz VJKVMGCPJXXJBQ-UHFFFAOYSA-N 1 0 382.508 4.414 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccnn2C)C1)c1csc(-c2ccccc2F)n1 ZINC000571156708 823141906 /nfs/dbraw/zinc/14/19/06/823141906.db2.gz QBQBLTLPJLDJCR-IQUTYRLHSA-N 1 0 386.496 4.254 20 0 GIADRO C[C@H]([NH2+][C@H]1CCO[C@H](c2ccnn2C)C1)c1csc(-c2ccccc2F)n1 ZINC000571156710 823142031 /nfs/dbraw/zinc/14/20/31/823142031.db2.gz QBQBLTLPJLDJCR-NJSLBKSFSA-N 1 0 386.496 4.254 20 0 GIADRO COc1ccc(C)cc1[C@@H](C)NC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459197131 823142098 /nfs/dbraw/zinc/14/20/98/823142098.db2.gz CQPDAAOBXWMTQB-CTNGQTDRSA-N 1 0 395.547 4.228 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)N[C@H](CC(F)(F)F)c2ccccc2)c1 ZINC000056395931 823142565 /nfs/dbraw/zinc/14/25/65/823142565.db2.gz SOBPUFHFFKKMPY-GOSISDBHSA-N 1 0 379.426 4.241 20 0 GIADRO CC(=O)c1ccc(NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000121228169 823142825 /nfs/dbraw/zinc/14/28/25/823142825.db2.gz ZMEYEDRKNIWVDS-VGOFRKELSA-N 1 0 379.504 4.406 20 0 GIADRO O=C(NCc1ccc2c[nH+]cn2c1)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000459201963 823143210 /nfs/dbraw/zinc/14/32/10/823143210.db2.gz UTUHHZJDEFIAPR-MRXNPFEDSA-N 1 0 388.393 4.052 20 0 GIADRO [NH3+][C@@H]1CCc2ncc(NC(=O)N[C@H]3CC[C@@H](c4cccc(Cl)c4)C3)cc2C1 ZINC000571180276 823144894 /nfs/dbraw/zinc/14/48/94/823144894.db2.gz ASKCFGYVJVNZNG-OLMNPRSZSA-N 1 0 384.911 4.009 20 0 GIADRO Cc1cc(Br)c(C[NH2+][C@H]2CCC[C@@H](N3CCCC3=O)C2)cc1Cl ZINC000571179869 823144948 /nfs/dbraw/zinc/14/49/48/823144948.db2.gz XATHGMOHDXMLIL-LSDHHAIUSA-N 1 0 399.760 4.434 20 0 GIADRO CCOc1cccc2[nH]cc(CC(=O)NCc3cccc(C[N@H+](C)C(C)C)c3)c21 ZINC000187853608 823146758 /nfs/dbraw/zinc/14/67/58/823146758.db2.gz IZTZCQROLRSODC-UHFFFAOYSA-N 1 0 393.531 4.266 20 0 GIADRO CCOc1c(Cl)cc(C(=O)NC[C@@H]([NH2+][C@H](C)CC)c2ccco2)cc1OC ZINC000571194886 823146855 /nfs/dbraw/zinc/14/68/55/823146855.db2.gz IKVIYFSWCNWSHL-CZUORRHYSA-N 1 0 394.899 4.200 20 0 GIADRO C[C@@H]([NH2+]C1CCN(Cc2ccsc2)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000121249644 823147501 /nfs/dbraw/zinc/14/75/01/823147501.db2.gz SJOUDHYZOBPTHX-MRXNPFEDSA-N 1 0 385.533 4.020 20 0 GIADRO [NH3+][C@H](CC1CCCCC1)C(=O)Nc1nnc(SCc2cccs2)s1 ZINC000571203951 823147956 /nfs/dbraw/zinc/14/79/56/823147956.db2.gz CQECXIZWAXJXMP-CYBMUJFWSA-N 1 0 382.580 4.128 20 0 GIADRO O=C1[C@H]([NH2+]CC2CCC(c3ccccc3)CC2)CCCN1Cc1ccccn1 ZINC000571207635 823148731 /nfs/dbraw/zinc/14/87/31/823148731.db2.gz WOORQTSBTGQFGT-POOLCLQXSA-N 1 0 377.532 4.136 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)NC[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000176194664 823149898 /nfs/dbraw/zinc/14/98/98/823149898.db2.gz DFVYBFMWLSAVBS-FYYLOGMGSA-N 1 0 377.532 4.096 20 0 GIADRO C[N@@H+]1CCC[C@@H](CCNC(=O)N2CCC[C@@H]2c2cccc(Br)c2)C1 ZINC000459249440 823151623 /nfs/dbraw/zinc/15/16/23/823151623.db2.gz FENZXRAESGHHHN-MAUKXSAKSA-N 1 0 394.357 4.028 20 0 GIADRO CCNC(=S)C(C(=O)c1cccc(Cl)c1)[n+]1ccc(C(C)(C)C)cc1 ZINC000121280042 823153933 /nfs/dbraw/zinc/15/39/33/823153933.db2.gz LXHFIKQZRXDNHL-UHFFFAOYSA-O 1 0 375.945 4.473 20 0 GIADRO Clc1cccc([C@H](C[NH2+][C@H]2CCCNc3ccccc32)N2CCOCC2)c1 ZINC000571247268 823155077 /nfs/dbraw/zinc/15/50/77/823155077.db2.gz ZFGXNSXCHPQQIO-VXKWHMMOSA-N 1 0 385.939 4.250 20 0 GIADRO Fc1ccc([C@H](NCC2CC[NH+](Cc3cccs3)CC2)c2ncc[nH]2)cc1 ZINC000187901012 823155177 /nfs/dbraw/zinc/15/51/77/823155177.db2.gz VOBLIJMOXYWMNL-FQEVSTJZSA-N 1 0 384.524 4.202 20 0 GIADRO CC[C@@H]([NH2+]C1CCN(C(=O)Cc2ccccc2OC)CC1)c1cccc(F)c1 ZINC000187906245 823156132 /nfs/dbraw/zinc/15/61/32/823156132.db2.gz YMEOHZNJRHVAIS-OAQYLSRUSA-N 1 0 384.495 4.109 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)C[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCCC[C@H]32)c1 ZINC000571258851 823157128 /nfs/dbraw/zinc/15/71/28/823157128.db2.gz YPWUNXHKYKAPPL-DNVJHFABSA-N 1 0 391.515 4.242 20 0 GIADRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)CCc3ncc(C(C)(C)C)o3)cc2)C1 ZINC000571294086 823161261 /nfs/dbraw/zinc/16/12/61/823161261.db2.gz ZVWAAPWGSRZQES-QGZVFWFLSA-N 1 0 399.535 4.264 20 0 GIADRO Cc1ccc([C@@H]([NH2+]Cc2cccc([C@]3(C)NC(=O)NC3=O)c2)C2CCCC2)cc1 ZINC000187917587 823158002 /nfs/dbraw/zinc/15/80/02/823158002.db2.gz RCCPAKYSWWDWSB-URXFXBBRSA-N 1 0 391.515 4.071 20 0 GIADRO Cc1[nH]c2ccccc2c1C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000056479265 823158139 /nfs/dbraw/zinc/15/81/39/823158139.db2.gz SFNXZZJFSYEEOF-UHFFFAOYSA-N 1 0 388.515 4.261 20 0 GIADRO O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1cccc2cccnc21 ZINC000056479174 823158143 /nfs/dbraw/zinc/15/81/43/823158143.db2.gz YIBLMAVXHCQBQA-UHFFFAOYSA-N 1 0 386.499 4.019 20 0 GIADRO O=C(c1cccc(C[NH+]2CCCC2)c1)N1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000176228618 823158167 /nfs/dbraw/zinc/15/81/67/823158167.db2.gz XVCZGJPYSUFZDT-WOJBJXKFSA-N 1 0 384.545 4.072 20 0 GIADRO CCN(Cc1cccc(-c2ccncc2)c1)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000571267089 823158276 /nfs/dbraw/zinc/15/82/76/823158276.db2.gz UYMQNGFUCIYQFB-UHFFFAOYSA-N 1 0 386.499 4.448 20 0 GIADRO COc1cc(C[N@H+](C)Cc2cn(C3CCCC3)nc2-c2ccccn2)ccc1O ZINC000459303717 823158671 /nfs/dbraw/zinc/15/86/71/823158671.db2.gz FJYCOIQZBQLSCR-UHFFFAOYSA-N 1 0 392.503 4.406 20 0 GIADRO CCC(CC)c1cc(CNC(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)on1 ZINC000176232814 823159028 /nfs/dbraw/zinc/15/90/28/823159028.db2.gz SDSLALDXFVTRDT-IBGZPJMESA-N 1 0 388.512 4.116 20 0 GIADRO CC(=O)N[C@H](C)C1CC[NH+](CC(Cc2ccccc2)Cc2ccccc2)CC1 ZINC000571273639 823159365 /nfs/dbraw/zinc/15/93/65/823159365.db2.gz PLDBWSJKNPLGFP-HXUWFJFHSA-N 1 0 378.560 4.325 20 0 GIADRO C[C@H](C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(Cl)s1 ZINC000176234000 823159397 /nfs/dbraw/zinc/15/93/97/823159397.db2.gz CPYFLWCTRBGOHX-RDJZCZTQSA-N 1 0 376.953 4.186 20 0 GIADRO C[N@@H+](CC(=O)Nc1ccccc1Br)CC1CCC(F)(F)CC1 ZINC000459306336 823159416 /nfs/dbraw/zinc/15/94/16/823159416.db2.gz INGLYRQUOXCZHE-UHFFFAOYSA-N 1 0 375.257 4.145 20 0 GIADRO Cc1ccc(-c2cnc(-c3ccccc3C(=O)NCCC[NH2+]C(C)C)o2)cc1 ZINC000571284668 823160335 /nfs/dbraw/zinc/16/03/35/823160335.db2.gz JSAUQLJNVOPSEY-UHFFFAOYSA-N 1 0 377.488 4.435 20 0 GIADRO COc1ccc(C[N@H+](C)Cc2cn(C3CCCC3)nc2-c2ccccn2)cc1O ZINC000459319798 823160643 /nfs/dbraw/zinc/16/06/43/823160643.db2.gz DZHCIBVLEXKWIM-UHFFFAOYSA-N 1 0 392.503 4.406 20 0 GIADRO C[C@@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000459320196 823160754 /nfs/dbraw/zinc/16/07/54/823160754.db2.gz RYSMRPYGOOVUNL-HOTGVXAUSA-N 1 0 385.474 4.010 20 0 GIADRO COc1ccc(CN(C(=O)c2cccc(C[NH+](C)C)c2)[C@H](C)C2CC2)c(OC)c1 ZINC000571327824 823165991 /nfs/dbraw/zinc/16/59/91/823165991.db2.gz HJOIHBFHDXFRAW-QGZVFWFLSA-N 1 0 396.531 4.206 20 0 GIADRO CCOc1cc(C[N@@H+]2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)ccc1O ZINC000459331918 823162659 /nfs/dbraw/zinc/16/26/59/823162659.db2.gz XAWJQVXLAHDYAX-QGZVFWFLSA-N 1 0 397.450 4.360 20 0 GIADRO Cc1sc([C@@H](C)NC(=O)c2coc(C[NH3+])c2)nc1-c1ccc(Cl)cc1 ZINC000187960032 823164155 /nfs/dbraw/zinc/16/41/55/823164155.db2.gz OZFGEJREIBBHNA-SNVBAGLBSA-N 1 0 375.881 4.315 20 0 GIADRO C[NH+]1CCC(N(Cc2ncc(Br)s2)Cc2ccccc2)CC1 ZINC000571328948 823166220 /nfs/dbraw/zinc/16/62/20/823166220.db2.gz UUWPFWBTQWOQDZ-UHFFFAOYSA-N 1 0 380.355 4.002 20 0 GIADRO c1ccc(CN2CCO[C@@H](C[NH2+][C@H]3CCCc4c5ccccc5[nH]c43)C2)cc1 ZINC000571319644 823164875 /nfs/dbraw/zinc/16/48/75/823164875.db2.gz YMGIYJPZRUPPMQ-CVDCTZTESA-N 1 0 375.516 4.036 20 0 GIADRO C[C@H](O)C[N@H+](C)C1CCN(C/C=C\c2ccc(OCc3ccccc3)cc2)CC1 ZINC000459341411 823165097 /nfs/dbraw/zinc/16/50/97/823165097.db2.gz WFDAXRYMRIACQZ-AVKJRPAMSA-N 1 0 394.559 4.056 20 0 GIADRO CCOc1cccc2[nH]cc(CC(=O)N3CCC[C@@H](C[N@@H+]4CCCC[C@@H]4C)C3)c21 ZINC000187971558 823165751 /nfs/dbraw/zinc/16/57/51/823165751.db2.gz YMBFVMXSLUMFMK-OALUTQOASA-N 1 0 397.563 4.222 20 0 GIADRO Cc1ccncc1CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000571327673 823165813 /nfs/dbraw/zinc/16/58/13/823165813.db2.gz ATRDDPBNHMRGMC-DEOSSOPVSA-N 1 0 387.527 4.370 20 0 GIADRO CCc1cccc(CC)c1NC(=O)C[NH2+][C@@H](C)C1CCN(CC(F)(F)F)CC1 ZINC000571337798 823167480 /nfs/dbraw/zinc/16/74/80/823167480.db2.gz XEOAVIWYVUKYLI-HNNXBMFYSA-N 1 0 399.501 4.002 20 0 GIADRO COc1ccc(-c2ccccc2C)cc1C[NH2+]CCc1nnc2n1CCCCC2 ZINC000459360808 823171678 /nfs/dbraw/zinc/17/16/78/823171678.db2.gz DUBRFLWGIVWMGY-UHFFFAOYSA-N 1 0 390.531 4.321 20 0 GIADRO CCOc1cc(CNc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)ccc1O ZINC000459349234 823167865 /nfs/dbraw/zinc/16/78/65/823167865.db2.gz IRTRPADRGDJWIR-UHFFFAOYSA-N 1 0 397.519 4.218 20 0 GIADRO CC1CC[NH+]([C@@H](CNC(=O)N2CCC[C@H]2c2ccccn2)c2cccs2)CC1 ZINC000056553317 823167886 /nfs/dbraw/zinc/16/78/86/823167886.db2.gz GPOBKPKLTDRPQO-PMACEKPBSA-N 1 0 398.576 4.463 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C2CC2)CC1 ZINC000176269388 823168579 /nfs/dbraw/zinc/16/85/79/823168579.db2.gz GRMCUDZLBOMXPC-DEOSSOPVSA-N 1 0 391.559 4.314 20 0 GIADRO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)N1CCC[C@H]1c1ccccn1 ZINC000056555512 823168761 /nfs/dbraw/zinc/16/87/61/823168761.db2.gz REIJNZVWLQMBPU-LEWJYISDSA-N 1 0 398.938 4.419 20 0 GIADRO Cc1ccc(C(=O)N2C[C@H](C)C[C@H](C)C2)cc1NC(=O)CC[N@@H+]1CCCC[C@H]1C ZINC000571348536 823168944 /nfs/dbraw/zinc/16/89/44/823168944.db2.gz ZKHITCUWYKLOOL-WSTZPKSXSA-N 1 0 399.579 4.316 20 0 GIADRO O=C(Nc1cccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1)c1ccc(F)cc1 ZINC000121354825 823169068 /nfs/dbraw/zinc/16/90/68/823169068.db2.gz WISVRJWETWBQMA-NJYVYQBISA-N 1 0 380.463 4.125 20 0 GIADRO CO[C@H](C)C(=O)Nc1cccc(N[C@H]2CCC[N@H+](Cc3ccccc3)[C@@H]2C)c1 ZINC000571349590 823169250 /nfs/dbraw/zinc/16/92/50/823169250.db2.gz TZTBIJPQSUDJME-HMFYCAOWSA-N 1 0 381.520 4.125 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000571349992 823169277 /nfs/dbraw/zinc/16/92/77/823169277.db2.gz UVNPVFXNKWVWRM-DBVUQKKJSA-N 1 0 385.577 4.413 20 0 GIADRO CO[C@H](C)C(=O)Nc1cccc(N[C@H]2CCC[N@H+](Cc3ccccc3)[C@H]2C)c1 ZINC000571349593 823169301 /nfs/dbraw/zinc/16/93/01/823169301.db2.gz TZTBIJPQSUDJME-SVMVAKDDSA-N 1 0 381.520 4.125 20 0 GIADRO CO[C@@H](C)c1nc(C)c(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)s1 ZINC000176274343 823169518 /nfs/dbraw/zinc/16/95/18/823169518.db2.gz IKWNQBJCTYPNOW-WMZOPIPTSA-N 1 0 387.549 4.034 20 0 GIADRO Cc1cc(C)c(NC(=O)[C@H](C)[NH2+][C@H]2CCN(C)[C@H]2c2ccccc2)c(Cl)c1 ZINC000571365692 823171855 /nfs/dbraw/zinc/17/18/55/823171855.db2.gz RBKCPZUBUDOIRO-LRQRDZAKSA-N 1 0 385.939 4.319 20 0 GIADRO Cc1cc(F)c(CNCc2ccc(C[NH+]3CCC(O)CC3)cc2)c(Cl)c1 ZINC000459357168 823170468 /nfs/dbraw/zinc/17/04/68/823170468.db2.gz JKONHMFHRPJGJX-UHFFFAOYSA-N 1 0 376.903 4.034 20 0 GIADRO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@H]1COc2ccc(F)cc2C1 ZINC000571358918 823170517 /nfs/dbraw/zinc/17/05/17/823170517.db2.gz GVGFGJHTVLWIRF-SWLSCSKDSA-N 1 0 396.384 4.155 20 0 GIADRO C[NH+]1CCC(Nc2ccccc2NC(=O)c2cnc3c(F)ccc(F)c3c2)CC1 ZINC000571331891 823166459 /nfs/dbraw/zinc/16/64/59/823166459.db2.gz PBAIOFSBCFMFFW-UHFFFAOYSA-N 1 0 396.441 4.271 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)Nc2ccccc2OC[C@@H]2CCCCO2)cc1 ZINC000056572052 823172362 /nfs/dbraw/zinc/17/23/62/823172362.db2.gz XRDFZRDFUNEHKR-FQEVSTJZSA-N 1 0 397.519 4.018 20 0 GIADRO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@]1(CO)C[C@H]1c1ccccc1 ZINC000571368110 823172654 /nfs/dbraw/zinc/17/26/54/823172654.db2.gz PMQVHMQQICODLY-GOTSBHOMSA-N 1 0 395.934 4.398 20 0 GIADRO Fc1ccc2nc([C@@H]3CCC[N@@H+]([C@@H]4CCN(Cc5ccccc5)C4)C3)oc2c1 ZINC000459377700 823177210 /nfs/dbraw/zinc/17/72/10/823177210.db2.gz PWSYCFSZSKWJRY-UYAOXDASSA-N 1 0 379.479 4.421 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)N1CCC[C@@H]1c1ccccn1 ZINC000056577952 823173898 /nfs/dbraw/zinc/17/38/98/823173898.db2.gz XYGTUUDQHCCRNX-OAQYLSRUSA-N 1 0 398.938 4.246 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCCC1)N1CCC[C@H]1c1ccccn1 ZINC000056578605 823174159 /nfs/dbraw/zinc/17/41/59/823174159.db2.gz DFXRJOJKBIDQKG-QFIPXVFZSA-N 1 0 378.520 4.114 20 0 GIADRO CN(CCc1ccc(F)cc1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000056578599 823174239 /nfs/dbraw/zinc/17/42/39/823174239.db2.gz WYTGROGHVYVWOI-UHFFFAOYSA-N 1 0 383.511 4.196 20 0 GIADRO CCOc1ccc(C(=O)N2CCC([NH2+]C3CC(C)(c4ccccc4)C3)CC2)cc1 ZINC000459368903 823174409 /nfs/dbraw/zinc/17/44/09/823174409.db2.gz DPXCTYILKUGEJW-UHFFFAOYSA-N 1 0 392.543 4.400 20 0 GIADRO COc1ccc(C[N@@H+]2CCC[C@@]2(CO)CC(C)C)cc1OCc1cccnc1 ZINC000188034798 823174775 /nfs/dbraw/zinc/17/47/75/823174775.db2.gz OPEKYDOCIISOIL-QHCPKHFHSA-N 1 0 384.520 4.042 20 0 GIADRO O[C@@H](C[NH2+]CC1(C(F)(F)F)CC1)COC(c1ccccc1)c1ccccc1 ZINC000571397768 823177429 /nfs/dbraw/zinc/17/74/29/823177429.db2.gz WCJQXVQYSZYGHP-SFHVURJKSA-N 1 0 379.422 4.086 20 0 GIADRO Cc1nn(C)c(C)c1CC[NH2+]C/C=C\c1ccc(OCc2ccccc2)cc1 ZINC000459373981 823175866 /nfs/dbraw/zinc/17/58/66/823175866.db2.gz ISVWTDAJHHETGA-YFHOEESVSA-N 1 0 375.516 4.461 20 0 GIADRO CCOc1cccc2cc([C@H](C)NC(=O)N3CCCC[C@@H]3[C@H]3CCC[NH2+]C3)oc21 ZINC000571387728 823176220 /nfs/dbraw/zinc/17/62/20/823176220.db2.gz ZSWDAOBAELBWCM-YTQUADARSA-N 1 0 399.535 4.456 20 0 GIADRO CC(C)Oc1ccc([C@H](CNC(=O)CCc2cccc(F)c2F)[NH+](C)C)cc1 ZINC000571390989 823176479 /nfs/dbraw/zinc/17/64/79/823176479.db2.gz TUSBIMZFMSKIAE-FQEVSTJZSA-N 1 0 390.474 4.104 20 0 GIADRO C[C@@H]([NH2+]C1(CNC(=O)C/C=C/c2ccc(F)cc2)CCOCC1)c1ccccc1 ZINC000176308346 823178507 /nfs/dbraw/zinc/17/85/07/823178507.db2.gz MPUDMFNKWYOJOQ-ZMBJWTFHSA-N 1 0 396.506 4.245 20 0 GIADRO Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N(C)CC3([NH+](C)C)CCC3)c12 ZINC000188055055 823178590 /nfs/dbraw/zinc/17/85/90/823178590.db2.gz QZKFGCAUWPYMOY-UHFFFAOYSA-N 1 0 399.583 4.174 20 0 GIADRO CC(C)n1cnnc1-c1ccccc1NC(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000176309377 823178755 /nfs/dbraw/zinc/17/87/55/823178755.db2.gz LENYKHCSUVLYIA-FGTMMUONSA-N 1 0 398.555 4.014 20 0 GIADRO C[C@H]1CN(c2ccccc2C[NH2+]Cc2ccc(OC(F)(F)F)cc2)CCO1 ZINC000459383662 823178845 /nfs/dbraw/zinc/17/88/45/823178845.db2.gz UTCBCNWGZALZCA-HNNXBMFYSA-N 1 0 380.410 4.100 20 0 GIADRO C[C@@H](NC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)c1nc(-c2ccccc2)cs1 ZINC000571419727 823180320 /nfs/dbraw/zinc/18/03/20/823180320.db2.gz HUYJILNNMZGOJO-AYOQOUSVSA-N 1 0 392.528 4.007 20 0 GIADRO CCOc1cc(C[NH2+]Cc2ccc(C)c(OC)c2)cc(Br)c1O ZINC000459388802 823180611 /nfs/dbraw/zinc/18/06/11/823180611.db2.gz GKAMGJOORZWVQG-UHFFFAOYSA-N 1 0 380.282 4.160 20 0 GIADRO COCCC[NH+]1CCC(NCc2cc(-c3ccccc3C)ccc2OC)CC1 ZINC000459389896 823180919 /nfs/dbraw/zinc/18/09/19/823180919.db2.gz ARIORTMKBWPAML-UHFFFAOYSA-N 1 0 382.548 4.261 20 0 GIADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)[C@H](c2ccccc2)C(C)C)c1 ZINC000571426102 823181046 /nfs/dbraw/zinc/18/10/46/823181046.db2.gz GURGOUGHFNBGFZ-QFIPXVFZSA-N 1 0 381.520 4.345 20 0 GIADRO COc1ccc(Oc2cc(C[NH2+][C@@H]3CCc4cccnc4CC3)ccn2)cc1 ZINC000571431182 823181838 /nfs/dbraw/zinc/18/18/38/823181838.db2.gz YPCPZBGETMUERE-LJQANCHMSA-N 1 0 375.472 4.315 20 0 GIADRO COC[C@@H]([NH2+]Cc1ccccc1COc1ccccc1Cl)C1CCOCC1 ZINC000188071911 823181917 /nfs/dbraw/zinc/18/19/17/823181917.db2.gz MEOQAFFBUHVKKX-OAQYLSRUSA-N 1 0 389.923 4.450 20 0 GIADRO Cc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccsc2)cc1OCC(F)F ZINC000459394275 823181966 /nfs/dbraw/zinc/18/19/66/823181966.db2.gz RVVWKHAWGHIABS-UHFFFAOYSA-N 1 0 397.491 4.296 20 0 GIADRO [NH3+][C@@H]1CCc2ncc(NC(=O)CCCOc3ccc(Cl)cc3Cl)cc2C1 ZINC000571432835 823182008 /nfs/dbraw/zinc/18/20/08/823182008.db2.gz XBWRWRBFSWPAJY-CQSZACIVSA-N 1 0 394.302 4.002 20 0 GIADRO O=c1cc(C[NH2+][C@@H](Cc2cccc(F)c2)c2cccc(F)c2)nc(C2CC2)[nH]1 ZINC000459394609 823182077 /nfs/dbraw/zinc/18/20/77/823182077.db2.gz ODRDWUFWSJFVDD-FQEVSTJZSA-N 1 0 381.426 4.411 20 0 GIADRO CC[C@H](C)[NH2+][C@H](CNC(=O)c1ccc(Br)c(F)c1)c1ccco1 ZINC000571434754 823182231 /nfs/dbraw/zinc/18/22/31/823182231.db2.gz JHSFADGEKSYZOT-XHDPSFHLSA-N 1 0 383.261 4.040 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)C12CCC2 ZINC000459419711 823188550 /nfs/dbraw/zinc/18/85/50/823188550.db2.gz WVWHDDHFQLVEIT-LEWJYISDSA-N 1 0 380.536 4.498 20 0 GIADRO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc3c(c2)NC(=O)CO3)[C@H]1Sc1ccccc1 ZINC000459400653 823184084 /nfs/dbraw/zinc/18/40/84/823184084.db2.gz BLQBSKCUFRFHLB-AZRIKENESA-N 1 0 398.528 4.006 20 0 GIADRO c1c(CN[C@@H]2CC[N@@H+](C3CCCC3)C2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459401734 823184454 /nfs/dbraw/zinc/18/44/54/823184454.db2.gz DUOCIVBOEDKEBW-LJQANCHMSA-N 1 0 379.552 4.167 20 0 GIADRO CN(CCC(F)(F)F)[C@H](C[NH2+][C@@H]1CCOC1(C)C)c1ccc(Cl)cc1 ZINC000571456069 823185496 /nfs/dbraw/zinc/18/54/96/823185496.db2.gz FRPRUQQSAZVZNW-HZPDHXFCSA-N 1 0 378.866 4.422 20 0 GIADRO CN(CCC(F)(F)F)[C@H](C[NH2+][C@H]1CCOC1(C)C)c1ccc(Cl)cc1 ZINC000571456067 823185580 /nfs/dbraw/zinc/18/55/80/823185580.db2.gz FRPRUQQSAZVZNW-CVEARBPZSA-N 1 0 378.866 4.422 20 0 GIADRO CSc1ccc([C@H](C[NH2+][C@@H](C)CC(=O)Nc2cccc(F)c2)N(C)C)cc1 ZINC000571458296 823185813 /nfs/dbraw/zinc/18/58/13/823185813.db2.gz UGDBWZUVTBGHES-YWZLYKJASA-N 1 0 389.540 4.157 20 0 GIADRO CC(C)n1cnnc1-c1ccccc1NC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000176336450 823185835 /nfs/dbraw/zinc/18/58/35/823185835.db2.gz XXSRPCRZAKRLKQ-UHFFFAOYSA-N 1 0 398.555 4.302 20 0 GIADRO CC(C)n1cnnc1-c1ccccc1NC(=O)NCCCCC[NH+]1CCCCC1 ZINC000176338752 823186279 /nfs/dbraw/zinc/18/62/79/823186279.db2.gz GKTUPWICFHUBRB-UHFFFAOYSA-N 1 0 398.555 4.304 20 0 GIADRO C[C@H]([NH2+]C[C@H](c1cccs1)N1CCCC1)c1cncc(Br)c1 ZINC000571463730 823186357 /nfs/dbraw/zinc/18/63/57/823186357.db2.gz IIWFUHIJSMTYRX-XJKSGUPXSA-N 1 0 380.355 4.393 20 0 GIADRO Cc1cc(Cl)c2c(c1)[C@H]([NH2+][C@@H]1CCC[C@@H](N3CCCC3=O)C1)CCCO2 ZINC000571463900 823186388 /nfs/dbraw/zinc/18/63/88/823186388.db2.gz LZKGTXXVCGDCTC-GPMSIDNRSA-N 1 0 376.928 4.385 20 0 GIADRO C[C@@H]([NH2+]CCCN1CCCC1=O)c1ccc(Br)cc1C(F)(F)F ZINC000188101568 823186814 /nfs/dbraw/zinc/18/68/14/823186814.db2.gz CATGDGYSLZSLOV-LLVKDONJSA-N 1 0 393.247 4.131 20 0 GIADRO C[C@H]([NH2+]CCc1cn[nH]c1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000459410589 823187122 /nfs/dbraw/zinc/18/71/22/823187122.db2.gz SNRXBHABSKTOBS-NSHDSACASA-N 1 0 377.311 4.189 20 0 GIADRO c1c(C[NH2+]CCc2ccc3c(c2)CCO3)c(-c2ccccn2)nn1C1CCCC1 ZINC000459413650 823187358 /nfs/dbraw/zinc/18/73/58/823187358.db2.gz OVYAUBBGMUSIIZ-UHFFFAOYSA-N 1 0 388.515 4.327 20 0 GIADRO CCCC[NH+]1CCC(NC(=O)Nc2ccccc2O[C@@H](C)C(F)(F)F)CC1 ZINC000571479017 823188940 /nfs/dbraw/zinc/18/89/40/823188940.db2.gz KFHBRLHWQSIAGI-AWEZNQCLSA-N 1 0 387.446 4.402 20 0 GIADRO O=C(Nc1ccccc1)c1cccc(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000571469163 823187507 /nfs/dbraw/zinc/18/75/07/823187507.db2.gz GHBJGYKKLKMOJG-JOCHJYFZSA-N 1 0 391.515 4.029 20 0 GIADRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)Nc1ccc(-c2ncon2)cc1 ZINC000571480428 823189326 /nfs/dbraw/zinc/18/93/26/823189326.db2.gz JMLWDTORWOUOEI-FQEVSTJZSA-N 1 0 393.491 4.015 20 0 GIADRO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)CC1CCC(F)(F)CC1 ZINC000459424121 823189625 /nfs/dbraw/zinc/18/96/25/823189625.db2.gz IKVUBQDAHHWAHS-OAHLLOKOSA-N 1 0 386.508 4.045 20 0 GIADRO FC(F)(F)Cc1noc(-c2cccc(C[NH2+][C@H]3CCc4ccccc4C3)c2)n1 ZINC000571486029 823190287 /nfs/dbraw/zinc/19/02/87/823190287.db2.gz PBDSPKPEVXGUOS-SFHVURJKSA-N 1 0 387.405 4.489 20 0 GIADRO Cc1cc(C)c(N2CC[C@@H]([NH2+]Cc3ccc4c(c3)COC(C)(C)O4)C2=O)c(C)c1 ZINC000188125798 823190296 /nfs/dbraw/zinc/19/02/96/823190296.db2.gz MHHZJWAKMJXCBF-HXUWFJFHSA-N 1 0 394.515 4.152 20 0 GIADRO 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 823190350 /nfs/dbraw/zinc/19/03/50/823190350.db2.gz DZUJFAMOYSGTBH-JZXOWHBKSA-N 1 0 388.556 4.077 20 0 GIADRO 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 823190396 /nfs/dbraw/zinc/19/03/96/823190396.db2.gz DZUJFAMOYSGTBH-SOLBZPMBSA-N 1 0 388.556 4.077 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)c2c(F)cccc2Br)[NH+]2CCCC2)o1 ZINC000176357285 823190507 /nfs/dbraw/zinc/19/05/07/823190507.db2.gz WHESFJAWFVRDGY-OAHLLOKOSA-N 1 0 395.272 4.057 20 0 GIADRO O=c1cc(C[N@@H+](Cc2ccc(F)cc2)C2CCOCC2)nc(-c2ccccc2)[nH]1 ZINC000459430296 823190748 /nfs/dbraw/zinc/19/07/48/823190748.db2.gz XXNKUKVGBKGROA-UHFFFAOYSA-N 1 0 393.462 4.170 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)Nc2ccccc2OC[C@@H]2CCCCO2)c1 ZINC000056656920 823190831 /nfs/dbraw/zinc/19/08/31/823190831.db2.gz CZMOQQJPBVORIE-FQEVSTJZSA-N 1 0 397.519 4.018 20 0 GIADRO Cc1cnc([C@H](C)NC(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)s1 ZINC000176385441 823195592 /nfs/dbraw/zinc/19/55/92/823195592.db2.gz DLTVADHBNSFTPZ-JKSUJKDBSA-N 1 0 392.594 4.346 20 0 GIADRO O[C@H]1CCCC[C@@H]1CCC[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459437076 823191853 /nfs/dbraw/zinc/19/18/53/823191853.db2.gz RILILZYZVFIPCY-GCJKJVERSA-N 1 0 382.552 4.481 20 0 GIADRO Cc1nccn1C[C@@H](C)C[NH2+][C@H]1CCSc2ccc(Br)cc21 ZINC000121483126 823192626 /nfs/dbraw/zinc/19/26/26/823192626.db2.gz FUVDHSIRLYWCIA-LRDDRELGSA-N 1 0 380.355 4.417 20 0 GIADRO CC(C)[NH+]1CCC(NC(=O)Nc2ccc(N(C)Cc3ccccc3)cc2)CC1 ZINC000056679474 823193173 /nfs/dbraw/zinc/19/31/73/823193173.db2.gz LPHNTRNFIYCNHR-UHFFFAOYSA-N 1 0 380.536 4.317 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)Nc1cc(F)ccc1OC(F)F ZINC000459445142 823193672 /nfs/dbraw/zinc/19/36/72/823193672.db2.gz GGAZXNCMSDEYFC-UHFFFAOYSA-N 1 0 387.427 4.084 20 0 GIADRO CC(=O)Nc1c(C)ccc(NC(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1C ZINC000056690468 823193680 /nfs/dbraw/zinc/19/36/80/823193680.db2.gz RFENFNYBOZHOBU-HZPDHXFCSA-N 1 0 388.556 4.141 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(C)c(NC(C)=O)c1C)CC(C)C ZINC000056691117 823193919 /nfs/dbraw/zinc/19/39/19/823193919.db2.gz UAXNGJGUYJWIED-SFHVURJKSA-N 1 0 376.545 4.140 20 0 GIADRO COCCOc1ccccc1C[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000571511252 823194368 /nfs/dbraw/zinc/19/43/68/823194368.db2.gz VJMJOCCMBHUBCN-UHFFFAOYSA-N 1 0 388.939 4.119 20 0 GIADRO CCOc1cc(C[NH2+]C[C@@H](c2ccccc2)C(C)(C)CO)cc(Cl)c1O ZINC000459450744 823194402 /nfs/dbraw/zinc/19/44/02/823194402.db2.gz OURGHQSTPLMGPF-KRWDZBQOSA-N 1 0 377.912 4.336 20 0 GIADRO CC[N@H+]1C[C@@H](C)N(Cc2csc(N(C(C)=O)c3ccc(C)cc3)n2)[C@@H](C)C1 ZINC000459451483 823194414 /nfs/dbraw/zinc/19/44/14/823194414.db2.gz AWEXMMFTIWJHMK-CALCHBBNSA-N 1 0 386.565 4.051 20 0 GIADRO COCc1cc(CNC[C@@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)no1 ZINC000459449264 823194545 /nfs/dbraw/zinc/19/45/45/823194545.db2.gz TYJMRBIKTNTMPT-HNAYVOBHSA-N 1 0 397.441 4.013 20 0 GIADRO Cc1ccc(Br)c(NC(=O)N(CC[NH+](C)C)Cc2ccsc2)c1 ZINC000459458956 823196106 /nfs/dbraw/zinc/19/61/06/823196106.db2.gz JYQQATLNKYELOF-UHFFFAOYSA-N 1 0 396.354 4.415 20 0 GIADRO C[S@@](=O)Cc1ccc(C[NH2+][C@@H]2CCCc3cc(Br)ccc32)cc1 ZINC000571531701 823196758 /nfs/dbraw/zinc/19/67/58/823196758.db2.gz PQZCJOAZCOOJTM-AUSIDOKSSA-N 1 0 392.362 4.495 20 0 GIADRO Cc1ccc(-c2ncco2)cc1NC(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000459461285 823196754 /nfs/dbraw/zinc/19/67/54/823196754.db2.gz JGZLSISHMTXHJB-UHFFFAOYSA-N 1 0 384.505 4.307 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)Nc1nc2c(ccc(F)c2F)s1 ZINC000459479686 823201063 /nfs/dbraw/zinc/20/10/63/823201063.db2.gz KVPFQTOGJMAJHD-UHFFFAOYSA-N 1 0 396.488 4.232 20 0 GIADRO Oc1cccc(CNCc2cccc(C[NH+]3CCCC3)c2)c1Br ZINC000459462740 823197228 /nfs/dbraw/zinc/19/72/28/823197228.db2.gz KDEQOFNFKGYPOM-UHFFFAOYSA-N 1 0 375.310 4.040 20 0 GIADRO Cc1nccn1C[C@H](C)C[NH2+][C@@H](C)c1ccc(OC(F)F)cc1OC(F)F ZINC000121508844 823197290 /nfs/dbraw/zinc/19/72/90/823197290.db2.gz HDDILVHWUXPSMI-NEPJUHHUSA-N 1 0 389.393 4.381 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCOc3c(F)cccc32)CC[N@@H+]1Cc1ccccc1 ZINC000188171143 823197486 /nfs/dbraw/zinc/19/74/86/823197486.db2.gz REIJRODXVVKIAN-MMOPVJDHSA-N 1 0 397.494 4.002 20 0 GIADRO O[C@@H](C[N@H+](Cc1ccccc1)Cc1cc(F)cc2c1OCOC2)c1cccs1 ZINC000176393248 823197655 /nfs/dbraw/zinc/19/76/55/823197655.db2.gz XSPFHXMFPSCRJV-FQEVSTJZSA-N 1 0 399.487 4.490 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+]CCOc1cccc(NC(C)=O)c1)CCCS2 ZINC000188173593 823197789 /nfs/dbraw/zinc/19/77/89/823197789.db2.gz WVHRWQYXKDRBGX-HXUWFJFHSA-N 1 0 386.517 4.249 20 0 GIADRO O=C(Nc1cc(F)ccc1OC(F)F)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000121517106 823198564 /nfs/dbraw/zinc/19/85/64/823198564.db2.gz FUZGNHWNPSAXRX-UHFFFAOYSA-N 1 0 393.409 4.213 20 0 GIADRO CCC(=O)c1cccc(NC(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)c1 ZINC000121518591 823198788 /nfs/dbraw/zinc/19/87/88/823198788.db2.gz IWZHATQBOKVALJ-MRXNPFEDSA-N 1 0 380.492 4.021 20 0 GIADRO 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 823198970 /nfs/dbraw/zinc/19/89/70/823198970.db2.gz VNHCAWVJQPMGGE-QGGNESHTSA-N 1 0 398.513 4.468 20 0 GIADRO O=C(c1ccncc1)N1CCC([NH2+][C@@H]2CCC[C@H]2CCc2ccccc2)CC1 ZINC000459468922 823198938 /nfs/dbraw/zinc/19/89/38/823198938.db2.gz SGULYQJGIBOHQG-NZQKXSOJSA-N 1 0 377.532 4.077 20 0 GIADRO C[C@@H]1CN(c2ccccc2C[N@H+](C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)CCO1 ZINC000459482241 823201581 /nfs/dbraw/zinc/20/15/81/823201581.db2.gz LNULBVHDTJUIGZ-IHLLOCCUSA-N 1 0 398.522 4.403 20 0 GIADRO O=C(CC[N@H+]1CC[C@H](c2cccc(F)c2)C1)Nc1ccc(Br)cc1 ZINC000571569783 823201650 /nfs/dbraw/zinc/20/16/50/823201650.db2.gz PGLZJQOEPDVEFG-HNNXBMFYSA-N 1 0 391.284 4.406 20 0 GIADRO Cc1nc(-c2cccc(NC(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)c2)oc1C ZINC000056730618 823201948 /nfs/dbraw/zinc/20/19/48/823201948.db2.gz VHUSFGJKTUTWGN-OAQYLSRUSA-N 1 0 390.487 4.354 20 0 GIADRO Cc1cc(F)ccc1-c1ccc(C[NH2+][C@H]2CCCN(CC(F)(F)F)C2=O)o1 ZINC000121540582 823202395 /nfs/dbraw/zinc/20/23/95/823202395.db2.gz SFTWKJSVGPGVST-INIZCTEOSA-N 1 0 384.373 4.037 20 0 GIADRO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H](CO)Cc1c[nH]c2ccccc12 ZINC000188206438 823203091 /nfs/dbraw/zinc/20/30/91/823203091.db2.gz JHDNCSZDKOHKML-RDTXWAMCSA-N 1 0 387.321 4.055 20 0 GIADRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)Nc2cn(C)nc2C2CC2)C1 ZINC000571583306 823203655 /nfs/dbraw/zinc/20/36/55/823203655.db2.gz JQAPCVTVMCNJFR-IRXDYDNUSA-N 1 0 395.551 4.097 20 0 GIADRO CCS[C@@H]1CCC[C@H](NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)C1 ZINC000176417627 823203964 /nfs/dbraw/zinc/20/39/64/823203964.db2.gz RTXHPVMMQOMTPD-PZJWPPBQSA-N 1 0 389.609 4.357 20 0 GIADRO COc1ccnc(C[NH2+][C@@H]2CCN(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000571583973 823203967 /nfs/dbraw/zinc/20/39/67/823203967.db2.gz IIAXIQOWIBUITF-WOJBJXKFSA-N 1 0 377.891 4.196 20 0 GIADRO CCOc1cc(C[NH2+][C@@H]2CCOc3c(C)cccc32)cc(Br)c1O ZINC000459495939 823204110 /nfs/dbraw/zinc/20/41/10/823204110.db2.gz NBQJDQRAUWCOTD-MRXNPFEDSA-N 1 0 392.293 4.475 20 0 GIADRO c1cn(CCc2ccccc2)nc1C[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000459495740 823204115 /nfs/dbraw/zinc/20/41/15/823204115.db2.gz MUJVIIGLFDZQLJ-UHFFFAOYSA-N 1 0 387.527 4.190 20 0 GIADRO Cc1cnc([C@H](C)NC(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)s1 ZINC000176421707 823204890 /nfs/dbraw/zinc/20/48/90/823204890.db2.gz PMGJBCOWUAUJRJ-KRWDZBQOSA-N 1 0 386.565 4.244 20 0 GIADRO Cc1cnc([C@H](C)NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)s1 ZINC000176421966 823204922 /nfs/dbraw/zinc/20/49/22/823204922.db2.gz OKCBANYELDOBAE-RDJZCZTQSA-N 1 0 386.565 4.244 20 0 GIADRO C[C@H]1CN(c2ccccc2C[NH2+]C[C@H](c2ccccc2)C(F)(F)F)CCO1 ZINC000459507500 823206834 /nfs/dbraw/zinc/20/68/34/823206834.db2.gz VWOUJFFPMFSMKK-QFBILLFUSA-N 1 0 378.438 4.347 20 0 GIADRO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)C[C@@H]1C[C@H]1c1ccccc1 ZINC000459501712 823205736 /nfs/dbraw/zinc/20/57/36/823205736.db2.gz ORQXZODPZJMVEP-XJABCFGWSA-N 1 0 384.545 4.023 20 0 GIADRO c1c(C[NH+]2CCC([C@@H]3CCCO3)CC2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459504163 823206077 /nfs/dbraw/zinc/20/60/77/823206077.db2.gz HIEKFPSTCLIZBY-QFIPXVFZSA-N 1 0 380.536 4.451 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)Nc2cc(F)c(Br)cc2F)CC1 ZINC000121562151 823206157 /nfs/dbraw/zinc/20/61/57/823206157.db2.gz COAKTGZPHVFKCX-UHFFFAOYSA-N 1 0 390.272 4.065 20 0 GIADRO OCC[N@H+](Cc1cn(C2CCCC2)nc1-c1ccccn1)Cc1cccc(F)c1 ZINC000459510484 823207607 /nfs/dbraw/zinc/20/76/07/823207607.db2.gz ORVKGZSIOUHYKU-UHFFFAOYSA-N 1 0 394.494 4.194 20 0 GIADRO CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)Cc1ccc(Br)cc1 ZINC000188241907 823208244 /nfs/dbraw/zinc/20/82/44/823208244.db2.gz BMLGBGJKGGTMJH-BBRMVZONSA-N 1 0 377.330 4.220 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)Nc1cccc(-c2nccs2)c1 ZINC000056778479 823212272 /nfs/dbraw/zinc/21/22/72/823212272.db2.gz FNIPRATYWXGYJT-QGZVFWFLSA-N 1 0 382.489 4.362 20 0 GIADRO CCOc1cc(C[NH2+][C@@H]2CSc3ccc(Br)cc32)ccc1O ZINC000459522355 823210449 /nfs/dbraw/zinc/21/04/49/823210449.db2.gz RUBHSZNXGINIIU-CQSZACIVSA-N 1 0 380.307 4.490 20 0 GIADRO COCc1cc(C[NH2+][C@H](Cc2cccc(Br)c2)CC2CC2)no1 ZINC000459523332 823210787 /nfs/dbraw/zinc/21/07/87/823210787.db2.gz IHGJYNMGURBING-INIZCTEOSA-N 1 0 379.298 4.085 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccncc2OCC(F)F)[C@H]1Sc1ccccc1 ZINC000459529356 823212571 /nfs/dbraw/zinc/21/25/71/823212571.db2.gz LREMAQGBZRMDSF-SQGPQFPESA-N 1 0 394.487 4.153 20 0 GIADRO c1ccc(CN2C[C@@H](c3ccccc3)[C@H]([NH2+]Cc3cnc(C4CC4)nc3)C2)cc1 ZINC000459527134 823211874 /nfs/dbraw/zinc/21/18/74/823211874.db2.gz BEYCBXXIGHTEKN-BJKOFHAPSA-N 1 0 384.527 4.112 20 0 GIADRO Cc1c(NC(=O)[C@H]2CCCCCC[C@H]2[NH3+])cccc1C(=O)Nc1ccccc1 ZINC000571634952 823212684 /nfs/dbraw/zinc/21/26/84/823212684.db2.gz WDMAJSNIBBXPCO-VQTJNVASSA-N 1 0 379.504 4.484 20 0 GIADRO CC(C)OCC[NH+]1CCC(NC(=O)CC(C)(C)Cc2ccc(Cl)cc2)CC1 ZINC000188275952 823212835 /nfs/dbraw/zinc/21/28/35/823212835.db2.gz PTJOXQCWMABDHJ-UHFFFAOYSA-N 1 0 394.987 4.304 20 0 GIADRO CCOc1cc(C[N@H+](CCc2ccccn2)Cc2ccncc2)cc(Cl)c1O ZINC000459551784 823218454 /nfs/dbraw/zinc/21/84/54/823218454.db2.gz PFXDQNKZRLGLRC-UHFFFAOYSA-N 1 0 397.906 4.479 20 0 GIADRO C[C@@H](NC(=O)Nc1ccc(-c2nncs2)cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000459532372 823213362 /nfs/dbraw/zinc/21/33/62/823213362.db2.gz ISOZUVKVPNESMT-KDOFPFPSSA-N 1 0 381.505 4.018 20 0 GIADRO CC(C)c1cc(Br)ccc1NC(=O)NCc1ccc(C[NH3+])cc1 ZINC000571642751 823213520 /nfs/dbraw/zinc/21/35/20/823213520.db2.gz SMEVTINBRVULFG-UHFFFAOYSA-N 1 0 376.298 4.353 20 0 GIADRO COC(=O)c1cccc2c1CC[N@H+](CCCC(=O)Nc1c(C)cc(C)cc1C)C2 ZINC000459549931 823217935 /nfs/dbraw/zinc/21/79/35/823217935.db2.gz SHWSFDRZGSAISB-UHFFFAOYSA-N 1 0 394.515 4.175 20 0 GIADRO COc1ccc(-c2ccccc2C)cc1C[NH+]1CCC([C@H](C)NC(C)=O)CC1 ZINC000459535152 823214088 /nfs/dbraw/zinc/21/40/88/823214088.db2.gz QAIJMXDDMDRUDI-SFHVURJKSA-N 1 0 380.532 4.407 20 0 GIADRO Fc1cccc(C[N@@H+]2CCC[C@H](c3nc(COc4ccccc4F)no3)C2)c1 ZINC000188290019 823214799 /nfs/dbraw/zinc/21/47/99/823214799.db2.gz WXXBIIBMDCUAIW-INIZCTEOSA-N 1 0 385.414 4.306 20 0 GIADRO O=C(N[C@@H](c1cccc(Cl)c1)c1ccccn1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000121623875 823218047 /nfs/dbraw/zinc/21/80/47/823218047.db2.gz WXUAOQDUMYQBOR-CTNGQTDRSA-N 1 0 398.938 4.094 20 0 GIADRO CCC[NH+]1CCC(NC(=O)N2CCC([C@H](F)c3ccccc3F)CC2)CC1 ZINC000571652519 823215010 /nfs/dbraw/zinc/21/50/10/823215010.db2.gz VNXQLQLXJLGBPX-FQEVSTJZSA-N 1 0 379.495 4.132 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)N[C@H]1CCSc2ccccc21 ZINC000056794111 823215126 /nfs/dbraw/zinc/21/51/26/823215126.db2.gz UTRMKPFCLUTFOR-IBGZPJMESA-N 1 0 387.524 4.136 20 0 GIADRO COc1ccc([C@@H](NC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)C(C)C)cc1 ZINC000056812166 823218091 /nfs/dbraw/zinc/21/80/91/823218091.db2.gz NWBDGBCZAKMUPK-NRFANRHFSA-N 1 0 375.557 4.154 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)N[C@H](c1ccco1)c1ccccc1 ZINC000056812441 823218132 /nfs/dbraw/zinc/21/81/32/823218132.db2.gz IIWRCLJLZIJKPD-QFIPXVFZSA-N 1 0 395.478 4.282 20 0 GIADRO Cc1ccccc1-n1ncc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1C(C)C ZINC000188292724 823215442 /nfs/dbraw/zinc/21/54/42/823215442.db2.gz RXXFDPYBHMDUJJ-YQQQUEKLSA-N 1 0 380.536 4.049 20 0 GIADRO C[N@@H+]1CCC[C@H](CCNC(=O)Nc2cc(F)c(Br)cc2Cl)C1 ZINC000459550918 823218146 /nfs/dbraw/zinc/21/81/46/823218146.db2.gz UYPRBNNYPFZVOZ-SNVBAGLBSA-N 1 0 392.700 4.095 20 0 GIADRO O=C(NCC1(c2cccc(Cl)c2)CCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000056800368 823215940 /nfs/dbraw/zinc/21/59/40/823215940.db2.gz LEFAXZSZMFFQMT-UHFFFAOYSA-N 1 0 375.944 4.078 20 0 GIADRO Cc1cccc(CCC[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)n1 ZINC000459543809 823216597 /nfs/dbraw/zinc/21/65/97/823216597.db2.gz MTPVKCJVSASYNV-UHFFFAOYSA-N 1 0 375.520 4.486 20 0 GIADRO Oc1cccc(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)c1Br ZINC000459545472 823216924 /nfs/dbraw/zinc/21/69/24/823216924.db2.gz LRNZCSSBBSCXTA-KZNAEPCWSA-N 1 0 388.305 4.159 20 0 GIADRO Cc1ccc([C@H](OC[C@@H](O)C[N@H+](C)CCc2ccccn2)c2ccccc2)cc1 ZINC000121625031 823218360 /nfs/dbraw/zinc/21/83/60/823218360.db2.gz HCQZYFSRISIMDG-LOSJGSFVSA-N 1 0 390.527 4.031 20 0 GIADRO COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)c1 ZINC000188306265 823217456 /nfs/dbraw/zinc/21/74/56/823217456.db2.gz TXCXRXULTBTDTF-IRLDBZIGSA-N 1 0 394.515 4.084 20 0 GIADRO CC(C)(C[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1)C1(O)CCCC1 ZINC000459561690 823220462 /nfs/dbraw/zinc/22/04/62/823220462.db2.gz NNSMAZJFZIROBD-UHFFFAOYSA-N 1 0 382.552 4.481 20 0 GIADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@H](C)c2ccc(C(F)(F)F)cc2)o1 ZINC000056834172 823220525 /nfs/dbraw/zinc/22/05/25/823220525.db2.gz MYOUKACSHXSMSJ-OAHLLOKOSA-N 1 0 397.441 4.441 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1cccs1 ZINC000121640219 823220765 /nfs/dbraw/zinc/22/07/65/823220765.db2.gz FDSHKQIKPOEKME-IJEWVQPXSA-N 1 0 382.451 4.290 20 0 GIADRO C[C@@H]1[C@H](N2CCOCC2)CC[N@@H+]1C/C=C/c1ccc(OCc2ccccc2)cc1 ZINC000459561959 823221002 /nfs/dbraw/zinc/22/10/02/823221002.db2.gz MJIUIUBDGVUPNV-JROMCTNRSA-N 1 0 392.543 4.074 20 0 GIADRO COc1ccc(Br)cc1C[NH2+]CCc1nc2ccccc2s1 ZINC000409447007 823221060 /nfs/dbraw/zinc/22/10/60/823221060.db2.gz DPXINOARYCZNFY-UHFFFAOYSA-N 1 0 377.307 4.400 20 0 GIADRO CC(C)c1cc(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)nn1C(C)(C)C ZINC000409450984 823221345 /nfs/dbraw/zinc/22/13/45/823221345.db2.gz CQUUEACVCQNJJU-PKOBYXMFSA-N 1 0 382.552 4.327 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+][C@H](C)c2ccc(Cl)cc2)c1 ZINC000121642864 823221380 /nfs/dbraw/zinc/22/13/80/823221380.db2.gz AYPLRJHYDDXZKT-ZIAGYGMSSA-N 1 0 376.884 4.425 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1C[NH2+]C[C@H]1CCN(c2ccccc2F)C1 ZINC000459564951 823221609 /nfs/dbraw/zinc/22/16/09/823221609.db2.gz WVCMYEOILMVFSP-OAHLLOKOSA-N 1 0 384.524 4.337 20 0 GIADRO CCCc1c(C(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)[nH]c(C)c1C(C)=O ZINC000409453382 823222308 /nfs/dbraw/zinc/22/23/08/823222308.db2.gz OARPJPIHZNEWDE-VQIMIIECSA-N 1 0 381.520 4.044 20 0 GIADRO CC[NH+](CC)CCNC(=O)c1ccc(NCc2csc(C(C)(C)C)n2)cc1 ZINC000571707334 823222413 /nfs/dbraw/zinc/22/24/13/823222413.db2.gz VAHGREQCSZZHBQ-UHFFFAOYSA-N 1 0 388.581 4.124 20 0 GIADRO Cc1ccc2c(c1)CC[C@H]2NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000056843998 823222502 /nfs/dbraw/zinc/22/25/02/823222502.db2.gz QHQJBZOSKDLQDR-JOCHJYFZSA-N 1 0 381.495 4.085 20 0 GIADRO COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000188346935 823223323 /nfs/dbraw/zinc/22/33/23/823223323.db2.gz XRIRBAJLAMJYRH-FPOVZHCZSA-N 1 0 380.488 4.042 20 0 GIADRO CC(C)(C)c1ccc(C2CCC([NH2+]C3CCC4(CC3)NC(=O)NC4=O)CC2)cc1 ZINC000571687081 823218948 /nfs/dbraw/zinc/21/89/48/823218948.db2.gz NORFVCQBWLFKIZ-UHFFFAOYSA-N 1 0 397.563 4.121 20 0 GIADRO OC[C@]1(Cc2ccc(F)cc2)CC[N@H+](Cc2cccc(-c3cccnc3)c2)C1 ZINC000571689462 823219075 /nfs/dbraw/zinc/21/90/75/823219075.db2.gz SXKWEGLCBQSTJW-DEOSSOPVSA-N 1 0 376.475 4.315 20 0 GIADRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cccc(OCc4ccccc4)c3)[C@@H]2C1 ZINC000571717637 823223717 /nfs/dbraw/zinc/22/37/17/823223717.db2.gz FHGJWTWTXCNEEP-QTJGBDASSA-N 1 0 378.516 4.002 20 0 GIADRO COC(=O)CC1([NH2+]Cc2nnc(-c3cc4c(s3)CCCC4)o2)CCCCC1 ZINC000121656907 823224104 /nfs/dbraw/zinc/22/41/04/823224104.db2.gz FUROCALUDCVVRL-UHFFFAOYSA-N 1 0 389.521 4.033 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1C[NH2+][C@@H]1C[C@@H](OC(C)(C)C)[C@@H]1n1cccn1 ZINC000459577472 823224173 /nfs/dbraw/zinc/22/41/73/823224173.db2.gz WHHTVYNKDQQJLA-ATZDWAIDSA-N 1 0 399.564 4.065 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(S[C@@H]3CCOC3=O)cc2)cc1 ZINC000188354471 823224531 /nfs/dbraw/zinc/22/45/31/823224531.db2.gz HLAWNDBQKHMYHB-HXUWFJFHSA-N 1 0 398.528 4.188 20 0 GIADRO COc1ccc(-c2ccccc2C)cc1C[N@@H+]1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 ZINC000459580325 823224654 /nfs/dbraw/zinc/22/46/54/823224654.db2.gz PDMXSXZIBQBXQQ-KJXAQDMKSA-N 1 0 381.516 4.032 20 0 GIADRO O=C(c1ccccc1Cl)N1CCC([NH2+]CCCOc2ccc(F)cc2)CC1 ZINC000121663501 823225324 /nfs/dbraw/zinc/22/53/24/823225324.db2.gz GLEGOUHVRQOUFZ-UHFFFAOYSA-N 1 0 390.886 4.142 20 0 GIADRO C[C@H]([NH2+]C1(CNC(=O)C/C=C/c2ccccc2F)CCOCC1)c1ccccc1 ZINC000176511441 823225322 /nfs/dbraw/zinc/22/53/22/823225322.db2.gz FRYCXUOUZARVDN-SSVWKNEZSA-N 1 0 396.506 4.245 20 0 GIADRO CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]Cc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1 ZINC000571725078 823225427 /nfs/dbraw/zinc/22/54/27/823225427.db2.gz TWYXVBIAWJYOKN-POAQFYNOSA-N 1 0 383.536 4.360 20 0 GIADRO CCSc1cccc(Br)c1NC(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC000571724886 823225521 /nfs/dbraw/zinc/22/55/21/823225521.db2.gz RKYXFBMFIDELQA-NWDGAFQWSA-N 1 0 386.359 4.117 20 0 GIADRO Cc1c2ccccc2oc1[C@@H](C)[NH2+][C@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000571724873 823225628 /nfs/dbraw/zinc/22/56/28/823225628.db2.gz FQKKDJGDYMYRFE-KUHUBIRLSA-N 1 0 384.501 4.117 20 0 GIADRO COc1ccc(C(=O)CCN2CCC[C@H]2c2ccc(Br)cn2)cc1 ZINC000459584049 823225613 /nfs/dbraw/zinc/22/56/13/823225613.db2.gz AOBZGBYOZANJRU-SFHVURJKSA-N 1 0 389.293 4.263 20 0 GIADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@H](C)c2cccc(OC(C)C)c2)o1 ZINC000056867069 823225705 /nfs/dbraw/zinc/22/57/05/823225705.db2.gz DGVYFFAZYDEYLI-GOSISDBHSA-N 1 0 387.524 4.210 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)c2cnn(Cc3ccc(OC)cc3)c2)cc1 ZINC000188373402 823228461 /nfs/dbraw/zinc/22/84/61/823228461.db2.gz QAXJMPCIXPJXKP-UHFFFAOYSA-N 1 0 392.503 4.034 20 0 GIADRO COc1cc(C[NH+]2CC(CCO)C2)ccc1OCc1ccc(Cl)cc1Cl ZINC000459595923 823227033 /nfs/dbraw/zinc/22/70/33/823227033.db2.gz RYBQWDWDOVIFST-UHFFFAOYSA-N 1 0 396.314 4.395 20 0 GIADRO Cc1ccc(-c2noc(CCC[N@H+](Cc3cnn(C)c3)CC(C)C)n2)cc1F ZINC000459598114 823227597 /nfs/dbraw/zinc/22/75/97/823227597.db2.gz UTSUZJQYQOXXMY-UHFFFAOYSA-N 1 0 385.487 4.008 20 0 GIADRO C[C@@H](C(=O)NCc1ccc(OCC[NH+](C)C)cc1)c1ccc(C(F)(F)F)cc1 ZINC000409470318 823227779 /nfs/dbraw/zinc/22/77/79/823227779.db2.gz RISIFHCWHPPZFK-OAHLLOKOSA-N 1 0 394.437 4.066 20 0 GIADRO C[NH+](C)CCC1CCN(C(=O)NCc2ccc(COc3ccccc3)cc2)CC1 ZINC000056884419 823227781 /nfs/dbraw/zinc/22/77/81/823227781.db2.gz OAHXTXCQFJMHNW-UHFFFAOYSA-N 1 0 395.547 4.139 20 0 GIADRO CCN(C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)c1ccc(OC)c(OC)c1 ZINC000459611314 823229245 /nfs/dbraw/zinc/22/92/45/823229245.db2.gz CRPMRBBKPWNMAJ-LJQANCHMSA-N 1 0 383.492 4.311 20 0 GIADRO C[C@H]1CCCC[C@]1(C)[NH2+]CC(=O)Nc1c(F)cc(F)cc1Br ZINC000459609311 823229333 /nfs/dbraw/zinc/22/93/33/823229333.db2.gz JIIOBRVZSSUGEM-QFYYESIMSA-N 1 0 375.257 4.224 20 0 GIADRO Cn1cc(NC(=O)N(CC[NH+](C)C)Cc2ccsc2)c(C2CCCCC2)n1 ZINC000459614129 823229767 /nfs/dbraw/zinc/22/97/67/823229767.db2.gz XIIZXYOHIIWGEI-UHFFFAOYSA-N 1 0 389.569 4.125 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H](C)c1ncc(C)s1 ZINC000176541168 823232848 /nfs/dbraw/zinc/23/28/48/823232848.db2.gz YDJFBAFIRFIJOI-HKUYNNGSSA-N 1 0 386.565 4.066 20 0 GIADRO CC(C)[C@H](NC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)c1nc2ccccc2[nH]1 ZINC000056936666 823232931 /nfs/dbraw/zinc/23/29/31/823232931.db2.gz ORMPQEWFCPTEFM-UXHICEINSA-N 1 0 397.498 4.001 20 0 GIADRO CCOCC[C@H](O)C[NH2+][C@H](c1ccc(OC)cc1C)c1ccccc1Cl ZINC000571755042 823230505 /nfs/dbraw/zinc/23/05/05/823230505.db2.gz SRFMVVVZVFTHIE-HRAATJIYSA-N 1 0 377.912 4.124 20 0 GIADRO CC[C@@H](C(=O)Nc1ccccc1NC(=O)NC(C)C)[N@H+](C)Cc1ccccc1 ZINC000571772329 823232922 /nfs/dbraw/zinc/23/29/22/823232922.db2.gz MQHHRZLKNJCXFP-FQEVSTJZSA-N 1 0 382.508 4.066 20 0 GIADRO Cc1cc(NC(=O)c2cccnc2C(F)(F)F)ccc1OCC[NH+]1CCCC1 ZINC000188389188 823231605 /nfs/dbraw/zinc/23/16/05/823231605.db2.gz NFFBMABWFFOWCR-UHFFFAOYSA-N 1 0 393.409 4.136 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(NC(C)=O)c2)cc1Cn1cccn1 ZINC000121694663 823232137 /nfs/dbraw/zinc/23/21/37/823232137.db2.gz NNJYKCKBOYAMHW-DLBZAZTESA-N 1 0 392.503 4.310 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@H](C)c2cccc(NC(C)=O)c2)cc1Cn1cccn1 ZINC000121694571 823232172 /nfs/dbraw/zinc/23/21/72/823232172.db2.gz NNJYKCKBOYAMHW-SJORKVTESA-N 1 0 392.503 4.310 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc(NC(C)=O)c2)cc1Cn1cccn1 ZINC000121694830 823232219 /nfs/dbraw/zinc/23/22/19/823232219.db2.gz NNJYKCKBOYAMHW-IAGOWNOFSA-N 1 0 392.503 4.310 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)N(C)Cc1ccsc1)[NH+]1CCCCC1 ZINC000056932388 823232347 /nfs/dbraw/zinc/23/23/47/823232347.db2.gz REGYDETYXGMDID-IBGZPJMESA-N 1 0 387.549 4.125 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)c1nc2c(s1)CCC2 ZINC000459629191 823232360 /nfs/dbraw/zinc/23/23/60/823232360.db2.gz DFOWQEOSYWMJCV-QWRGUYRKSA-N 1 0 387.332 4.029 20 0 GIADRO CC(C)CC[NH+]1CCC(CNC(=O)c2ccc(F)cc2Br)CC1 ZINC000176540903 823232655 /nfs/dbraw/zinc/23/26/55/823232655.db2.gz MBWWSALWJCQHHG-UHFFFAOYSA-N 1 0 385.321 4.076 20 0 GIADRO COCc1ccccc1/C=C(/C)C[N@H+](C)CCc1nc(-c2ccccc2)no1 ZINC000571781372 823233608 /nfs/dbraw/zinc/23/36/08/823233608.db2.gz OUAGCZWNDOJIAG-SDXDJHTJSA-N 1 0 377.488 4.461 20 0 GIADRO CC(C)CC[N@@H+]1Cc2cccc(NC(=O)CC3CCC4(CC3)OCCO4)c2C1 ZINC000188398068 823233634 /nfs/dbraw/zinc/23/36/34/823233634.db2.gz HBLQYBZSPFFZPW-UHFFFAOYSA-N 1 0 386.536 4.310 20 0 GIADRO Clc1cccc(-c2nnc(C[N@@H+]3C[C@H](c4ccccc4)[C@@H]4COCC[C@H]43)o2)c1 ZINC000571785183 823234056 /nfs/dbraw/zinc/23/40/56/823234056.db2.gz IODBZNZAVSKCRY-HSALFYBXSA-N 1 0 395.890 4.395 20 0 GIADRO CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[NH2+][C@@H](C)CCCc1cccnc1 ZINC000459645712 823237441 /nfs/dbraw/zinc/23/74/41/823237441.db2.gz RFDUPCHVKBVNMP-HOTGVXAUSA-N 1 0 393.487 4.358 20 0 GIADRO Cc1ccc(-c2cnc(CCC(=O)NCC3CC[NH+](CCC(C)C)CC3)o2)cc1 ZINC000176550570 823235130 /nfs/dbraw/zinc/23/51/30/823235130.db2.gz LDZRBIVKOAQZHT-UHFFFAOYSA-N 1 0 397.563 4.457 20 0 GIADRO Cc1ccc(-c2noc(CCC[NH2+][C@@H](C)c3nc4c(s3)CCC4)n2)cc1F ZINC000459639994 823235508 /nfs/dbraw/zinc/23/55/08/823235508.db2.gz WNGJVBMWCWKYNZ-ZDUSSCGKSA-N 1 0 386.496 4.413 20 0 GIADRO CC1(CC[NH2+][C@H](c2ccccc2)c2ccc(Br)cc2)OCCO1 ZINC000188407802 823235791 /nfs/dbraw/zinc/23/57/91/823235791.db2.gz BUDHZVDHHGIQOA-GOSISDBHSA-N 1 0 376.294 4.281 20 0 GIADRO C[C@H](CCCc1cccnc1)[NH2+]CC(=O)N(C)[C@@H](C)c1cc2ccccc2o1 ZINC000459641557 823235882 /nfs/dbraw/zinc/23/58/82/823235882.db2.gz RFGIPBZMXFPFGJ-MSOLQXFVSA-N 1 0 379.504 4.348 20 0 GIADRO Cn1cc(-c2ccc(C[N@@H+]3CC[C@H](C(F)(F)F)C4(CCOCC4)C3)s2)cn1 ZINC000459642417 823235990 /nfs/dbraw/zinc/23/59/90/823235990.db2.gz BRLOEYHNVYAUBL-KRWDZBQOSA-N 1 0 399.482 4.330 20 0 GIADRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000188413146 823236474 /nfs/dbraw/zinc/23/64/74/823236474.db2.gz MHXZWLQJIWVXTN-VMEOHVCESA-N 1 0 389.337 4.195 20 0 GIADRO COc1ccc(OCCC[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)cc1 ZINC000459644891 823236965 /nfs/dbraw/zinc/23/69/65/823236965.db2.gz PSOWNHOVLFBWOD-GOSISDBHSA-N 1 0 387.442 4.145 20 0 GIADRO COc1ccc(NC(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc1SC ZINC000459647554 823238072 /nfs/dbraw/zinc/23/80/72/823238072.db2.gz ABWZKEFRTLMQFM-MAUKXSAKSA-N 1 0 385.533 4.374 20 0 GIADRO C[C@@H](CCCc1cccnc1)[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000459649893 823238775 /nfs/dbraw/zinc/23/87/75/823238775.db2.gz WKRAZHWPJJENJC-HNNXBMFYSA-N 1 0 381.501 4.435 20 0 GIADRO C[C@H](CCCc1cccnc1)[NH2+][C@H](C)C(=O)Nc1ccc(Br)cc1 ZINC000459649856 823238821 /nfs/dbraw/zinc/23/88/21/823238821.db2.gz WHTPZMWVYWNFIK-HUUCEWRRSA-N 1 0 390.325 4.172 20 0 GIADRO Cc1csc(N2CCC([NH2+]CCc3cccc(Br)c3)CC2)n1 ZINC000459649874 823238915 /nfs/dbraw/zinc/23/89/15/823238915.db2.gz WIWPIRVPOGGWHH-UHFFFAOYSA-N 1 0 380.355 4.015 20 0 GIADRO C[C@H](Sc1ccnc2cc(Cl)ccc21)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000176587126 823242459 /nfs/dbraw/zinc/24/24/59/823242459.db2.gz YOCJRWPZLUQGJS-GJZGRUSLSA-N 1 0 391.968 4.169 20 0 GIADRO CCN(C(=O)[C@@H](C)[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1)c1ccccc1 ZINC000459651495 823239614 /nfs/dbraw/zinc/23/96/14/823239614.db2.gz ZCDIKCQXVHECDL-AEFFLSMTSA-N 1 0 398.469 4.109 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)c2ccc(-n3ccc(C(F)(F)F)n3)cc2)c1 ZINC000057042255 823242566 /nfs/dbraw/zinc/24/25/66/823242566.db2.gz UMKOIKXJHAKYDZ-UHFFFAOYSA-N 1 0 388.393 4.205 20 0 GIADRO COc1ccc2c(C[N@H+](C)Cc3ccc(OC(F)F)cc3)cc(=O)oc2c1 ZINC000057024662 823240603 /nfs/dbraw/zinc/24/06/03/823240603.db2.gz GELZMDKDRBAGCQ-UHFFFAOYSA-N 1 0 375.371 4.035 20 0 GIADRO CC(C)(C)OC(=O)N1CCc2cccc(C[NH2+]Cc3ccc4c(c3)OCCO4)c21 ZINC000176581875 823241526 /nfs/dbraw/zinc/24/15/26/823241526.db2.gz VEXTYAILXPYMKN-UHFFFAOYSA-N 1 0 396.487 4.045 20 0 GIADRO CC(C)([NH2+]C[C@H](O)COCc1ccccc1F)c1cccc(C(F)(F)F)c1 ZINC000571833712 823241918 /nfs/dbraw/zinc/24/19/18/823241918.db2.gz GDBJJWJRSIMRCZ-KRWDZBQOSA-N 1 0 385.401 4.247 20 0 GIADRO C[NH+](C)Cc1ccc(NC(=O)c2ccc(-n3ccc(C(F)(F)F)n3)cc2)cc1 ZINC000057043197 823242998 /nfs/dbraw/zinc/24/29/98/823242998.db2.gz PNUCUMNTOCAJKE-UHFFFAOYSA-N 1 0 388.393 4.205 20 0 GIADRO Fc1ccc(-n2ccc(CN3CC[C@@H](C(F)(F)F)C4(CCOCC4)C3)n2)cc1 ZINC000459661619 823243858 /nfs/dbraw/zinc/24/38/58/823243858.db2.gz MSTBUIVKHBLKQJ-GOSISDBHSA-N 1 0 397.416 4.192 20 0 GIADRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)Nc1cc(OC)c(Cl)c(OC)c1)c1ccco1 ZINC000459666390 823245667 /nfs/dbraw/zinc/24/56/67/823245667.db2.gz MNHBYJSZHKUMKM-OCCSQVGLSA-N 1 0 395.887 4.201 20 0 GIADRO COCCCOc1ccc(C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)cc1 ZINC000176602432 823246177 /nfs/dbraw/zinc/24/61/77/823246177.db2.gz XCFQEBSLPYCHQC-LJQANCHMSA-N 1 0 396.531 4.057 20 0 GIADRO COC[C@H]([NH2+][C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21)C1CCOCC1 ZINC000188475702 823246569 /nfs/dbraw/zinc/24/65/69/823246569.db2.gz NJJBGTQBVMQOLB-MSOLQXFVSA-N 1 0 390.524 4.358 20 0 GIADRO COc1cc(C[NH2+]C2CCC(OC)CC2)cc(Br)c1OC(F)F ZINC000459669224 823246590 /nfs/dbraw/zinc/24/65/90/823246590.db2.gz CRGOAOROIZEGJC-UHFFFAOYSA-N 1 0 394.256 4.106 20 0 GIADRO C[C@@H](NC(=O)N1CCC(CC[NH+](C)C)CC1)c1ccc(-c2cccnc2)cc1 ZINC000176606530 823247207 /nfs/dbraw/zinc/24/72/07/823247207.db2.gz ZPVYWBUBFOSWOZ-GOSISDBHSA-N 1 0 380.536 4.183 20 0 GIADRO CC(C)OCC[NH+]1CCC(NC(=O)N(C)[C@H](C)c2cc3ccccc3o2)CC1 ZINC000176610760 823248234 /nfs/dbraw/zinc/24/82/34/823248234.db2.gz YVYLNNIPCGFQRK-QGZVFWFLSA-N 1 0 387.524 4.025 20 0 GIADRO Clc1cccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)c1 ZINC000121778909 823248934 /nfs/dbraw/zinc/24/89/34/823248934.db2.gz UTUBEXDSEDLUDV-INIZCTEOSA-N 1 0 392.894 4.152 20 0 GIADRO Fc1ccc(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c(C(F)(F)F)c1 ZINC000121792401 823252497 /nfs/dbraw/zinc/25/24/97/823252497.db2.gz OYHFIVVZAKYJST-CQSZACIVSA-N 1 0 378.373 4.267 20 0 GIADRO CCc1nc(C)c([C@@H](C)N(C)C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)s1 ZINC000176617765 823250238 /nfs/dbraw/zinc/25/02/38/823250238.db2.gz XOFWHBUAXGKDIE-NVXWUHKLSA-N 1 0 388.581 4.237 20 0 GIADRO CC[NH+](CC)CCOc1ccc(NC(=O)c2occc2Br)cc1 ZINC000176622613 823251139 /nfs/dbraw/zinc/25/11/39/823251139.db2.gz YLSMRLPVTJMAON-UHFFFAOYSA-N 1 0 381.270 4.015 20 0 GIADRO CN(CCC(F)(F)F)[C@H](C[NH2+]CC[C@H]1CCOC1)c1ccc(Cl)cc1 ZINC000571900208 823251409 /nfs/dbraw/zinc/25/14/09/823251409.db2.gz NRNDMTZSTIPJPK-WMLDXEAASA-N 1 0 378.866 4.282 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)CSc3ccc(F)cc3)C2)s1 ZINC000571904889 823252148 /nfs/dbraw/zinc/25/21/48/823252148.db2.gz RNJVMZMVWNONOT-MRXNPFEDSA-N 1 0 392.565 4.268 20 0 GIADRO COc1cc(C[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)cc(OC)c1OC ZINC000121790653 823252173 /nfs/dbraw/zinc/25/21/73/823252173.db2.gz KLLBGWHLPSESBS-IBGZPJMESA-N 1 0 383.488 4.205 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)N[C@@H](CC(F)(F)F)c1ccccc1)Cc1ccccc1 ZINC000057131455 823253595 /nfs/dbraw/zinc/25/35/95/823253595.db2.gz SADSJIIUBRBTTL-OALUTQOASA-N 1 0 393.453 4.152 20 0 GIADRO CCCn1c(C(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)cc2ccccc21 ZINC000188511906 823253720 /nfs/dbraw/zinc/25/37/20/823253720.db2.gz MMMDOZHVSMMFHP-GOSISDBHSA-N 1 0 390.531 4.402 20 0 GIADRO COc1ccc([C@H](CNC(=O)C(C)(C)c2ccc(F)cc2)[NH+]2CCCCC2)cc1 ZINC000409580708 823254041 /nfs/dbraw/zinc/25/40/41/823254041.db2.gz OABYHSNDVGDCTB-QFIPXVFZSA-N 1 0 398.522 4.455 20 0 GIADRO COc1cc(-c2noc(C[N@@H+]3C[C@H](C)CC(C)(C)C3)n2)ccc1OC(F)F ZINC000571920536 823254287 /nfs/dbraw/zinc/25/42/87/823254287.db2.gz XJLJUJBHBLXOJK-GFCCVEGCSA-N 1 0 381.423 4.215 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)N(C)CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000409582272 823254333 /nfs/dbraw/zinc/25/43/33/823254333.db2.gz ORJWNUWKNNCIDF-CQSZACIVSA-N 1 0 399.379 4.292 20 0 GIADRO COc1cccc2c1C[C@H]([NH2+]Cc1ccc(OCc3csc(C)n3)cc1)C2 ZINC000459708252 823254508 /nfs/dbraw/zinc/25/45/08/823254508.db2.gz SJLYYISFINTLMU-GOSISDBHSA-N 1 0 380.513 4.296 20 0 GIADRO Cc1nn(C)c(N2CCOCC2)c1C[N@@H+]1CC2(CCCCC2)[C@H]1c1ccccc1 ZINC000459707655 823254539 /nfs/dbraw/zinc/25/45/39/823254539.db2.gz JMPJZSFCJKVSRF-JOCHJYFZSA-N 1 0 394.563 4.073 20 0 GIADRO C[C@@H](C[NH2+]CC1(Cc2cccc(Cl)c2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000459709437 823254736 /nfs/dbraw/zinc/25/47/36/823254736.db2.gz KVAAOOXERYTNCK-INIZCTEOSA-N 1 0 391.964 4.460 20 0 GIADRO Cc1cc(O[C@@H](C)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)ccc1C(C)C ZINC000057167744 823257911 /nfs/dbraw/zinc/25/79/11/823257911.db2.gz WKWPELXNJHKRBD-IBGZPJMESA-N 1 0 395.547 4.062 20 0 GIADRO COc1ccc([C@H]([NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)c2ccccc2Cl)cc1 ZINC000571930698 823256014 /nfs/dbraw/zinc/25/60/14/823256014.db2.gz QDHANPADRUVUGD-NYHFZMIOSA-N 1 0 384.907 4.039 20 0 GIADRO O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@@H]([NH2+]C2CCC(C(F)F)CC2)C1 ZINC000459718422 823256112 /nfs/dbraw/zinc/25/61/12/823256112.db2.gz UUMZTGGKSVJLRT-BHUNQDJPSA-N 1 0 390.474 4.397 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cc(N(C)C)c3ccccc3n2)C1 ZINC000571933707 823256526 /nfs/dbraw/zinc/25/65/26/823256526.db2.gz ZMEUAAXMNSPVLN-MOPGFXCFSA-N 1 0 394.563 4.027 20 0 GIADRO COCCOc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1 ZINC000121816257 823256842 /nfs/dbraw/zinc/25/68/42/823256842.db2.gz MSLOWBGQDSBZLM-IAGOWNOFSA-N 1 0 382.504 4.472 20 0 GIADRO O=C(N[C@H](c1c(Cl)cccc1Cl)C1CC1)NC1CC[NH+](C2CC2)CC1 ZINC000571934906 823256927 /nfs/dbraw/zinc/25/69/27/823256927.db2.gz NBTSRSVARHDZND-SFHVURJKSA-N 1 0 382.335 4.371 20 0 GIADRO CC(C)c1ccc(SCC(=O)NC2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000057167675 823258105 /nfs/dbraw/zinc/25/81/05/823258105.db2.gz QJXXQPIWIXTSPF-UHFFFAOYSA-N 1 0 383.561 4.078 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)Cc1ccccc1OCc1cccnc1 ZINC000459732358 823258111 /nfs/dbraw/zinc/25/81/11/823258111.db2.gz DGVKQVNGGGPIPQ-UHFFFAOYSA-N 1 0 381.545 4.286 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1sc2ccccc2c1Cl ZINC000057166574 823257487 /nfs/dbraw/zinc/25/74/87/823257487.db2.gz VBUBQZBXINUOJZ-UHFFFAOYSA-N 1 0 385.920 4.344 20 0 GIADRO CCOC(=O)Nc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000057172625 823258675 /nfs/dbraw/zinc/25/86/75/823258675.db2.gz QIHDCLWCCNUAFC-SFHVURJKSA-N 1 0 381.476 4.106 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)cc(OC)c1OC ZINC000121829644 823258972 /nfs/dbraw/zinc/25/89/72/823258972.db2.gz LBFOUIRUPWZLGL-CABCVRRESA-N 1 0 398.503 4.473 20 0 GIADRO COc1ccc(C[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)c(OCc2cccnc2)c1 ZINC000459743438 823259235 /nfs/dbraw/zinc/25/92/35/823259235.db2.gz CLRDQYVTWNEKRL-XZOQPEGZSA-N 1 0 396.531 4.042 20 0 GIADRO Cc1ccc(C[C@H]([NH2+][C@@H](C)c2cccc(-n3cnnn3)c2)c2ccccn2)cc1 ZINC000121833067 823259529 /nfs/dbraw/zinc/25/95/29/823259529.db2.gz BWKDVXXSJHOGQQ-MBSDFSHPSA-N 1 0 384.487 4.000 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1cccc(CO)c1 ZINC000121836231 823260187 /nfs/dbraw/zinc/26/01/87/823260187.db2.gz CSLOQNQXGMXQSD-QRWLVFNGSA-N 1 0 378.438 4.123 20 0 GIADRO CO[C@H]1C[C@@H]([NH2+]Cc2ncc(-c3cccc(Br)c3)o2)C12CCC2 ZINC000459756702 823260989 /nfs/dbraw/zinc/26/09/89/823260989.db2.gz KFYIFJJATCDSLX-CVEARBPZSA-N 1 0 377.282 4.151 20 0 GIADRO O=C(c1ccc(C[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)cc1)N1CCCC1 ZINC000121851859 823263335 /nfs/dbraw/zinc/26/33/35/823263335.db2.gz KJFPSWUHKDKAHO-FGZHOGPDSA-N 1 0 396.531 4.384 20 0 GIADRO CCCOc1cccc(C[NH2+][C@@H]2CCO[C@H]2c2cncc(Br)c2)c1 ZINC000459764863 823261905 /nfs/dbraw/zinc/26/19/05/823261905.db2.gz NWGBVBLNAXLTLF-MOPGFXCFSA-N 1 0 391.309 4.253 20 0 GIADRO CCC[C@H]([NH2+]CC(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F)C1CCC1 ZINC000459770362 823262397 /nfs/dbraw/zinc/26/23/97/823262397.db2.gz CIMPCBXLAAAXAO-INIZCTEOSA-N 1 0 385.430 4.161 20 0 GIADRO Cc1cccc(NC(=O)C(=O)Nc2cccc3c2C[N@H+]([C@@H](C)C(C)C)C3)c1C ZINC000188562631 823262487 /nfs/dbraw/zinc/26/24/87/823262487.db2.gz SODYQDGESVXRNV-KRWDZBQOSA-N 1 0 379.504 4.241 20 0 GIADRO C[C@@H](CCc1ccccc1)[NH2+][C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000459770908 823262718 /nfs/dbraw/zinc/26/27/18/823262718.db2.gz SXJMVLRXBMUSNL-KYNGSXCRSA-N 1 0 375.310 4.285 20 0 GIADRO O=C(NC1(c2ccccc2)CCOCC1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000571980825 823264942 /nfs/dbraw/zinc/26/49/42/823264942.db2.gz UDFDOZMJIWOWJZ-UHFFFAOYSA-N 1 0 378.516 4.108 20 0 GIADRO CCC(CC)(C(=O)NC1CC[NH+](CCOC(C)C)CC1)c1ccc(Cl)cc1 ZINC000176677596 823265463 /nfs/dbraw/zinc/26/54/63/823265463.db2.gz WQAQUXFLQZNCFH-UHFFFAOYSA-N 1 0 394.987 4.403 20 0 GIADRO Cc1nc(-c2ccc(C)cc2NC(=O)C[NH2+][C@H](C)c2ccc(Cl)cc2)n[nH]1 ZINC000459790915 823265575 /nfs/dbraw/zinc/26/55/75/823265575.db2.gz ZMHVTQIKGGIJPP-CYBMUJFWSA-N 1 0 383.883 4.031 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NC[C@H]1CCCC(F)(F)C1 ZINC000409629647 823266777 /nfs/dbraw/zinc/26/67/77/823266777.db2.gz HJTQHGGDHHIITP-HKUYNNGSSA-N 1 0 379.495 4.118 20 0 GIADRO COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000571993961 823266905 /nfs/dbraw/zinc/26/69/05/823266905.db2.gz ZZZPATRJOJVLGR-RHSMWYFYSA-N 1 0 376.884 4.172 20 0 GIADRO C[C@H](NC(=O)NC[C@@H]1CCCC(F)(F)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000409630738 823267006 /nfs/dbraw/zinc/26/70/06/823267006.db2.gz HIOLMJDFJKWDQR-QXAKKESOSA-N 1 0 379.495 4.022 20 0 GIADRO CC(C)(C)c1ncsc1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000176685674 823267614 /nfs/dbraw/zinc/26/76/14/823267614.db2.gz DZEPNIIBPVNHPD-UHFFFAOYSA-N 1 0 375.563 4.242 20 0 GIADRO Cc1c2cccc(Cl)c2oc1C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000176685716 823267714 /nfs/dbraw/zinc/26/77/14/823267714.db2.gz YLJVSFGBYMBWKN-UHFFFAOYSA-N 1 0 378.900 4.014 20 0 GIADRO CN(C)[C@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)c1cccc(Cl)c1 ZINC000409634757 823268171 /nfs/dbraw/zinc/26/81/71/823268171.db2.gz FXGMJYPLKWWCQP-QFIPXVFZSA-N 1 0 399.966 4.245 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ccc(Cc3nnc4n3CCC4)cc2)C1 ZINC000188596745 823269450 /nfs/dbraw/zinc/26/94/50/823269450.db2.gz JCMIGDFVCAGRAL-GCJKJVERSA-N 1 0 387.531 4.063 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)CCc1cccc(Br)c1 ZINC000121906740 823274395 /nfs/dbraw/zinc/27/43/95/823274395.db2.gz CQTWYQYHEQRKCO-INIZCTEOSA-N 1 0 381.358 4.153 20 0 GIADRO COc1cccc2c1CC[C@@H]2[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000121886877 823270302 /nfs/dbraw/zinc/27/03/02/823270302.db2.gz IAKVJUZEGKHKKG-FQEVSTJZSA-N 1 0 384.907 4.230 20 0 GIADRO CC[NH+](CC)CCOc1ccc(C(=O)Nc2ccc(-c3csnn3)cc2)cc1 ZINC000057247602 823270315 /nfs/dbraw/zinc/27/03/15/823270315.db2.gz BJYNMYQXDQZBJJ-UHFFFAOYSA-N 1 0 396.516 4.178 20 0 GIADRO FC(F)(F)COc1ccc(C[NH2+][C@@H]2c3ccccc3CC23CCOCC3)cn1 ZINC000572051930 823274523 /nfs/dbraw/zinc/27/45/23/823274523.db2.gz WOMOQYFDBKBGSU-LJQANCHMSA-N 1 0 392.421 4.207 20 0 GIADRO O=C(Nc1ccc(OC2CCCC2)c(Cl)c1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000409647112 823272933 /nfs/dbraw/zinc/27/29/33/823272933.db2.gz YSXNWKBYIRRAEB-QZTJIDSGSA-N 1 0 377.916 4.410 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)C2(CCF)CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000572052790 823274956 /nfs/dbraw/zinc/27/49/56/823274956.db2.gz KWSYUROCJWYTEY-NVXWUHKLSA-N 1 0 386.433 4.344 20 0 GIADRO COC(=O)c1ccc(C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)cc1F ZINC000121929326 823278993 /nfs/dbraw/zinc/27/89/93/823278993.db2.gz KUBFYBJADPFYMF-APWZRJJASA-N 1 0 375.440 4.074 20 0 GIADRO CCc1cccc(C)c1NC(=O)C[N@@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000121931510 823279288 /nfs/dbraw/zinc/27/92/88/823279288.db2.gz XIGWWDZGDUOYMO-PMACEKPBSA-N 1 0 384.520 4.457 20 0 GIADRO CCOc1ccc(NC(=O)C(=O)Nc2cccc3c2C[N@@H+]([C@@H](C)C(C)C)C3)cc1 ZINC000188648213 823279991 /nfs/dbraw/zinc/27/99/91/823279991.db2.gz YZOBXHRKKYKXOH-INIZCTEOSA-N 1 0 395.503 4.023 20 0 GIADRO Cn1ccnc1CC1CCN(C(=O)C2(c3cccc(F)c3)CCCCC2)CC1 ZINC000121915838 823276201 /nfs/dbraw/zinc/27/62/01/823276201.db2.gz BUNBZIYQYFXGDK-UHFFFAOYSA-N 1 0 383.511 4.242 20 0 GIADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N(CCC(F)(F)F)Cc2ccccc2)C1 ZINC000188630460 823276360 /nfs/dbraw/zinc/27/63/60/823276360.db2.gz HXKWABSKPYHAKJ-GOSISDBHSA-N 1 0 385.474 4.271 20 0 GIADRO CCc1nc2cc(CNC(=O)[C@@H](c3ccccc3)[N@@H+](C)CC)ccc2n1C1CC1 ZINC000572062887 823276701 /nfs/dbraw/zinc/27/67/01/823276701.db2.gz XZQRIHJGISONNF-HSZRJFAPSA-N 1 0 390.531 4.243 20 0 GIADRO O=C(C(Cc1ccccc1)Cc1ccccc1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000409661352 823276725 /nfs/dbraw/zinc/27/67/25/823276725.db2.gz MAMHPCLXBAHQIO-DEOSSOPVSA-N 1 0 376.544 4.175 20 0 GIADRO O=C(NCc1cccc(COCC(F)(F)F)c1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000121917492 823276878 /nfs/dbraw/zinc/27/68/78/823276878.db2.gz UNAMTTZIBKTENW-SFHVURJKSA-N 1 0 398.469 4.036 20 0 GIADRO COc1ccccc1[C@H](CNC(=S)Nc1ccc(C)c(C)c1)[NH+]1CCCC1 ZINC000006334241 817678127 /nfs/dbraw/zinc/67/81/27/817678127.db2.gz XYYYHUQMDCRNLI-FQEVSTJZSA-N 1 0 383.561 4.436 20 0 GIADRO O[C@H](C[NH2+]C[C@H]1CCC[C@H](C(F)(F)F)C1)COCc1ccccc1Cl ZINC000572112749 823285329 /nfs/dbraw/zinc/28/53/29/823285329.db2.gz YJUGYHBOLGVXRU-CWRNSKLLSA-N 1 0 379.850 4.176 20 0 GIADRO CCCNC(=O)c1cccc(C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)c1 ZINC000121938930 823281013 /nfs/dbraw/zinc/28/10/13/823281013.db2.gz ZESVKZJSQOIYDX-JOCHJYFZSA-N 1 0 378.516 4.319 20 0 GIADRO Cc1nccn1-c1ccc(C(F)(F)F)cc1NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000460035896 823281525 /nfs/dbraw/zinc/28/15/25/823281525.db2.gz YIUYWUOSPJBDQE-UHFFFAOYSA-N 1 0 392.425 4.012 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)C1(c2ccccc2C)CCOCC1)c1ccccc1 ZINC000057383618 823285992 /nfs/dbraw/zinc/28/59/92/823285992.db2.gz TUGVERNYSZHQBV-QHCPKHFHSA-N 1 0 394.559 4.243 20 0 GIADRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)Nc2nc(-c3ccc(F)c(Cl)c3)cs2)C1(C)C ZINC000572117032 823286031 /nfs/dbraw/zinc/28/60/31/823286031.db2.gz QFJNLPMTUZBPOL-RDTXWAMCSA-N 1 0 397.903 4.074 20 0 GIADRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1scnc1C(C)C ZINC000460062619 823282874 /nfs/dbraw/zinc/28/28/74/823282874.db2.gz QDFNNUSPENUQCE-UHFFFAOYSA-N 1 0 375.563 4.376 20 0 GIADRO C[C@@H](c1ccccc1Cl)N(C)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000121950337 823283332 /nfs/dbraw/zinc/28/33/32/823283332.db2.gz CHSSCGSCSVTXQT-INIZCTEOSA-N 1 0 389.927 4.183 20 0 GIADRO Cc1ccc([C@H](OC[C@H](O)C[NH2+]CC2(C(F)(F)F)CC2)c2ccccc2)cc1 ZINC000572114850 823285720 /nfs/dbraw/zinc/28/57/20/823285720.db2.gz LMVFILKWISLODS-WOJBJXKFSA-N 1 0 393.449 4.394 20 0 GIADRO [NH3+]C[C@H](NC(=O)N[C@@H](c1ccccc1)[C@H]1CCCO1)c1ccc2ccccc2c1 ZINC000572103258 823283993 /nfs/dbraw/zinc/28/39/93/823283993.db2.gz RJLZWFYMAUYLSM-ZRBLBEILSA-N 1 0 389.499 4.059 20 0 GIADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N(C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000460106487 823285799 /nfs/dbraw/zinc/28/57/99/823285799.db2.gz HDOZDJDXBHCYGW-UUAJXVIYSA-N 1 0 377.495 4.115 20 0 GIADRO Cc1ccc2nc(C[NH2+][C@@H](C)CC(=O)Nc3cccc(C(F)(F)F)c3)cn2c1 ZINC000572107982 823284199 /nfs/dbraw/zinc/28/41/99/823284199.db2.gz CHBDDRSHZJGWFG-AWEZNQCLSA-N 1 0 390.409 4.168 20 0 GIADRO CCS(=O)(=O)c1ccc(N2CCC([NH2+][C@@H](C)c3ccc(C)s3)CC2)cc1 ZINC000121956593 823284508 /nfs/dbraw/zinc/28/45/08/823284508.db2.gz QCXYUKXSALCTGP-INIZCTEOSA-N 1 0 392.590 4.170 20 0 GIADRO Cc1ccccc1C1(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CCOCC1 ZINC000057383311 823285954 /nfs/dbraw/zinc/28/59/54/823285954.db2.gz JBEHSNWNQXNRDX-FQEVSTJZSA-N 1 0 398.572 4.058 20 0 GIADRO Cc1ccc(-c2cnc(-c3ccccc3C(=O)N[C@H]3C[NH2+]CCC3(F)F)o2)cc1 ZINC000572121979 823286269 /nfs/dbraw/zinc/28/62/69/823286269.db2.gz MIQUOOQQFQEQAG-IBGZPJMESA-N 1 0 397.425 4.044 20 0 GIADRO C[NH+](C)CC1CCC(NC(=O)Nc2ccc(Br)cc2Cl)CC1 ZINC000121973226 823287051 /nfs/dbraw/zinc/28/70/51/823287051.db2.gz YPOJQAYZQHYFIT-UHFFFAOYSA-N 1 0 388.737 4.344 20 0 GIADRO C[C@H](NC(=O)N1CCC[C@H]1C[NH+]1CCCC1)c1ccc(Oc2cccnc2)cc1 ZINC000572126868 823287175 /nfs/dbraw/zinc/28/71/75/823287175.db2.gz PEGBMALBDSATBK-ICSRJNTNSA-N 1 0 394.519 4.205 20 0 GIADRO C[C@@H]([NH2+]CC1(c2ccc(F)cc2F)CCCC1)c1ccc2c(c1)OCC(=O)N2 ZINC000572144419 823290047 /nfs/dbraw/zinc/29/00/47/823290047.db2.gz PLFVGPVZQLADBZ-CQSZACIVSA-N 1 0 386.442 4.458 20 0 GIADRO CC(C)c1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)Cc1ccc(F)cc1Br ZINC000572157847 823291686 /nfs/dbraw/zinc/29/16/86/823291686.db2.gz NULNBHDYOZYCQJ-MLGOLLRUSA-N 1 0 395.320 4.359 20 0 GIADRO CC(C)(C)c1ccc(-c2ccc(C(=O)N3C[C@@H](C[NH3+])C4(C3)CCOCC4)o2)cc1 ZINC000572157378 823291745 /nfs/dbraw/zinc/29/17/45/823291745.db2.gz SSVVTCNJEPSDRY-LJQANCHMSA-N 1 0 396.531 4.072 20 0 GIADRO CC(C)[C@H]([NH2+]C[C@@H](O)COCc1ccccc1Cl)c1nc2ccccc2[nH]1 ZINC000572149071 823290738 /nfs/dbraw/zinc/29/07/38/823290738.db2.gz QNMFLYYOVUYSJY-UZLBHIALSA-N 1 0 387.911 4.081 20 0 GIADRO FC(F)(F)Oc1ccc(NC(=S)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000007368788 817825688 /nfs/dbraw/zinc/82/56/88/817825688.db2.gz HAOAVENROXPEQI-INIZCTEOSA-N 1 0 395.450 4.146 20 0 GIADRO COc1ccc([C@H](CNC(=S)Nc2ccc(C)c(F)c2)[NH+]2CCCC2)cc1 ZINC000007374618 817827128 /nfs/dbraw/zinc/82/71/28/817827128.db2.gz YFZPYRUSCHUPMI-FQEVSTJZSA-N 1 0 387.524 4.266 20 0 GIADRO COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000176761703 823286072 /nfs/dbraw/zinc/28/60/72/823286072.db2.gz IQNWWRVNFNTGNH-UHFFFAOYSA-N 1 0 398.894 4.166 20 0 GIADRO CCCNC(=O)C1CC[NH+](CCSc2ccnc3cc(Cl)ccc32)CC1 ZINC000122040116 823297381 /nfs/dbraw/zinc/29/73/81/823297381.db2.gz HAAVTTRLQRZIRB-UHFFFAOYSA-N 1 0 391.968 4.219 20 0 GIADRO COc1cccc([C@H](CNC(=O)Nc2ccc(Cl)cc2Cl)[NH+](C)C)c1 ZINC000057407025 823292304 /nfs/dbraw/zinc/29/23/04/823292304.db2.gz YNNYVDGDMUYJKB-KRWDZBQOSA-N 1 0 382.291 4.426 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1cccc(-c2ccccn2)c1C)c1ccco1 ZINC000122008368 823292690 /nfs/dbraw/zinc/29/26/90/823292690.db2.gz SIKKEHJSKVGOHY-OAQYLSRUSA-N 1 0 377.488 4.463 20 0 GIADRO Cc1cccc(NC(=O)C[C@H](C)[NH2+]CCc2ccccc2OC(F)F)c1C ZINC000188721477 823292958 /nfs/dbraw/zinc/29/29/58/823292958.db2.gz ZYWOOZFBSJSAOK-HNNXBMFYSA-N 1 0 376.447 4.454 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)N(C)[C@H]1CC[C@@H](C(F)(F)F)CC1)c1ccco1 ZINC000460148311 823297519 /nfs/dbraw/zinc/29/75/19/823297519.db2.gz XZTDNSWDQUVQQK-XHSDSOJGSA-N 1 0 389.462 4.425 20 0 GIADRO COc1cc(CN(C)C(=O)C[N@@H+]2CCCC[C@@H]2C)ccc1OCc1ccccc1 ZINC000007525150 817861428 /nfs/dbraw/zinc/86/14/28/817861428.db2.gz LVZIJJAENVADGC-IBGZPJMESA-N 1 0 396.531 4.107 20 0 GIADRO COCc1ccccc1C[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000122019674 823294229 /nfs/dbraw/zinc/29/42/29/823294229.db2.gz WAOOFFIBKIQCAU-AWEZNQCLSA-N 1 0 391.309 4.102 20 0 GIADRO CN(C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000460140153 823294545 /nfs/dbraw/zinc/29/45/45/823294545.db2.gz REUDDAFTZHZRGO-QRVBRYPASA-N 1 0 397.485 4.414 20 0 GIADRO COc1cccc([C@@H](CNC(=S)Nc2cccc(Cl)c2C)[NH+](C)C)c1 ZINC000007581458 817873944 /nfs/dbraw/zinc/87/39/44/817873944.db2.gz XDZVVYLEFMMIQZ-GOSISDBHSA-N 1 0 377.941 4.246 20 0 GIADRO CC(C)C(=O)c1ccc([C@@H](C)C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)cc1 ZINC000572181444 823295691 /nfs/dbraw/zinc/29/56/91/823295691.db2.gz FRWLAFGELBYTQF-GOSISDBHSA-N 1 0 398.522 4.358 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)N(C)[C@H]2CC[C@@H](C(F)(F)F)CC2)[NH+](C)C)cc1 ZINC000460144457 823295995 /nfs/dbraw/zinc/29/59/95/823295995.db2.gz WWYJTPBQIPRLHY-FGTMMUONSA-N 1 0 385.474 4.360 20 0 GIADRO CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H](C)c2cccc(NC(C)=O)c2)cc1 ZINC000409741413 823296566 /nfs/dbraw/zinc/29/65/66/823296566.db2.gz AHESNILBYVRKGU-KRWDZBQOSA-N 1 0 381.520 4.368 20 0 GIADRO O=C(CCCn1ccnc1)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1 ZINC000122034791 823296779 /nfs/dbraw/zinc/29/67/79/823296779.db2.gz GHGVUEOCOSBJFE-UHFFFAOYSA-N 1 0 394.422 4.368 20 0 GIADRO Cc1nc2ccccn2c(=O)c1CC[NH2+]C1(c2cccc(Cl)c2)CCCC1 ZINC000572207533 823300519 /nfs/dbraw/zinc/30/05/19/823300519.db2.gz ALRZLNCZPJJTKE-UHFFFAOYSA-N 1 0 381.907 4.258 20 0 GIADRO CSC1(C(=O)NCc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000188768076 823300691 /nfs/dbraw/zinc/30/06/91/823300691.db2.gz YSGZZFAKHDLALD-UHFFFAOYSA-N 1 0 380.557 4.461 20 0 GIADRO COc1ccc2cc(C[N@H+](C)[C@@H](C)C(=O)NCCc3cccs3)ccc2c1 ZINC000007805895 817921279 /nfs/dbraw/zinc/92/12/79/817921279.db2.gz PPDPVOYWLCJNAO-INIZCTEOSA-N 1 0 382.529 4.089 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)c2cc(F)ccc2Br)cc1 ZINC000007829152 817927963 /nfs/dbraw/zinc/92/79/63/817927963.db2.gz VZPDPIZAKBAHKD-UHFFFAOYSA-N 1 0 393.300 4.360 20 0 GIADRO COCCOc1ccccc1NC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000057479821 823302103 /nfs/dbraw/zinc/30/21/03/823302103.db2.gz QKRGKWSPBXOWLW-UHFFFAOYSA-N 1 0 397.519 4.019 20 0 GIADRO CCOc1ccc(SCC(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000007850627 817937860 /nfs/dbraw/zinc/93/78/60/817937860.db2.gz DXZBOQGJLZWKEO-UHFFFAOYSA-N 1 0 398.572 4.480 20 0 GIADRO O=C(Cc1c(Cl)cccc1Cl)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000007923719 817960004 /nfs/dbraw/zinc/96/00/04/817960004.db2.gz LLPRHXKKJHVCGP-UHFFFAOYSA-N 1 0 377.315 4.448 20 0 GIADRO O=C(Cc1ccc(Cl)cc1Cl)NCc1ccccc1C[NH+]1CCCC1 ZINC000008011650 817982334 /nfs/dbraw/zinc/98/23/34/817982334.db2.gz XLZZGYRNJRHLBD-UHFFFAOYSA-N 1 0 377.315 4.448 20 0 GIADRO CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000460167968 823303847 /nfs/dbraw/zinc/30/38/47/823303847.db2.gz ITDUAKIKEYUOMQ-WMLDXEAASA-N 1 0 395.473 4.293 20 0 GIADRO Cc1cnc([C@@H](NC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)C2CC2)s1 ZINC000176830265 823304144 /nfs/dbraw/zinc/30/41/44/823304144.db2.gz ZUCHUCDBSNFMFB-JXFKEZNVSA-N 1 0 398.576 4.427 20 0 GIADRO C[NH+](C)CCN(Cc1ccccc1)C(=S)Nc1cccc(Br)c1 ZINC000008106976 818001323 /nfs/dbraw/zinc/00/13/23/818001323.db2.gz SYFCAZXNOLPCJW-UHFFFAOYSA-N 1 0 392.366 4.210 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000008173719 818011428 /nfs/dbraw/zinc/01/14/28/818011428.db2.gz LYIKYYUELDETRJ-CQSZACIVSA-N 1 0 382.895 4.432 20 0 GIADRO Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cn2)c1C ZINC000572258690 823308630 /nfs/dbraw/zinc/30/86/30/823308630.db2.gz XTSDWWGNYVRADT-MOPGFXCFSA-N 1 0 394.519 4.344 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000057511917 823305694 /nfs/dbraw/zinc/30/56/94/823305694.db2.gz AYTFHXMEGCWFRH-UHFFFAOYSA-N 1 0 378.303 4.388 20 0 GIADRO CN(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000008261671 818025822 /nfs/dbraw/zinc/02/58/22/818025822.db2.gz HXRJWZGIKMUPFG-SFHVURJKSA-N 1 0 379.529 4.134 20 0 GIADRO COc1cnccc1[C@H](C)[NH2+][C@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000188790639 823306352 /nfs/dbraw/zinc/30/63/52/823306352.db2.gz YZVFPQOKXFWZEJ-OLZOCXBDSA-N 1 0 381.398 4.177 20 0 GIADRO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N[C@@H]1CCSc2ccc(F)cc21 ZINC000057514718 823306362 /nfs/dbraw/zinc/30/63/62/823306362.db2.gz BDXQKOUOIGQPNZ-UYAOXDASSA-N 1 0 399.535 4.326 20 0 GIADRO CC(C)OCc1ccccc1CNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000572241591 823306466 /nfs/dbraw/zinc/30/64/66/823306466.db2.gz JXGBRJSNAIGEIX-QFIPXVFZSA-N 1 0 381.520 4.482 20 0 GIADRO Cc1cccc(NC(=O)N[C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)c1C ZINC000122117277 823308838 /nfs/dbraw/zinc/30/88/38/823308838.db2.gz QXJXPXCXHYAAFD-HXUWFJFHSA-N 1 0 379.504 4.413 20 0 GIADRO CC[C@H](c1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1CC)c1ccccc1 ZINC000460178482 823307169 /nfs/dbraw/zinc/30/71/69/823307169.db2.gz PFLZYMSSLKJELK-NRFANRHFSA-N 1 0 381.568 4.295 20 0 GIADRO Cc1cc(NC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c(C#N)cc1N(C)C ZINC000572261303 823309182 /nfs/dbraw/zinc/30/91/82/823309182.db2.gz SDENGSKBPGLQMT-OALUTQOASA-N 1 0 397.567 4.051 20 0 GIADRO Cc1ccccc1[C@@H](OC[C@@H](O)C[NH2+]C(C)(C)c1nccs1)c1ccccc1 ZINC000122122517 823309341 /nfs/dbraw/zinc/30/93/41/823309341.db2.gz NJCFBRPJWBCVFD-FPOVZHCZSA-N 1 0 396.556 4.443 20 0 GIADRO COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)NCC2CC[NH2+]CC2)cc1 ZINC000572263108 823309532 /nfs/dbraw/zinc/30/95/32/823309532.db2.gz DZRANSRJDKQVOZ-QGZVFWFLSA-N 1 0 381.520 4.064 20 0 GIADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)CCc2ccc(OC(F)F)cc2)C1 ZINC000122158249 823314727 /nfs/dbraw/zinc/31/47/27/823314727.db2.gz KAHCQAIWGCGEIK-IAGOWNOFSA-N 1 0 382.495 4.095 20 0 GIADRO CCn1c(-c2ccoc2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000460188744 823310534 /nfs/dbraw/zinc/31/05/34/823310534.db2.gz XIBJDOGSGOGPNJ-XLIONFOSSA-N 1 0 379.508 4.047 20 0 GIADRO CCn1c(-c2ccoc2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000460188743 823310618 /nfs/dbraw/zinc/31/06/18/823310618.db2.gz XIBJDOGSGOGPNJ-PXNSSMCTSA-N 1 0 379.508 4.047 20 0 GIADRO Cc1cccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@H]2CC[C@H](O)C2)c1 ZINC000188810822 823310768 /nfs/dbraw/zinc/31/07/68/823310768.db2.gz IJARRBAHFVFYIR-REWPJTCUSA-N 1 0 375.516 4.157 20 0 GIADRO COc1ccccc1OCC[NH2+][C@@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000057572283 823311041 /nfs/dbraw/zinc/31/10/41/823311041.db2.gz XYHAWFNDPXNCGY-HSZRJFAPSA-N 1 0 390.483 4.352 20 0 GIADRO CCn1c(CSc2ccc(C)cc2)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000460190940 823311401 /nfs/dbraw/zinc/31/14/01/823311401.db2.gz HCTDQZVQNWVXJL-IEBWSBKVSA-N 1 0 387.597 4.065 20 0 GIADRO CC(C)(CNC(=O)c1cc(-c2ccccn2)nc2ccccc21)[NH+]1CCCCC1 ZINC000011594719 818098068 /nfs/dbraw/zinc/09/80/68/818098068.db2.gz FYZROGPSYKVZQK-UHFFFAOYSA-N 1 0 388.515 4.291 20 0 GIADRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)Cc1cccc(C(F)(F)F)c1 ZINC000011752840 818116590 /nfs/dbraw/zinc/11/65/90/818116590.db2.gz CHGCEUOAHLZORA-QUCCMNQESA-N 1 0 388.433 4.391 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)Cc3cccc(C(F)(F)F)c3)cc2)CC1 ZINC000011947082 818131393 /nfs/dbraw/zinc/13/13/93/818131393.db2.gz UFBDCKCTZHUAKW-UHFFFAOYSA-N 1 0 391.437 4.029 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(OC)c4ccccc34)cc2)CC1 ZINC000011948699 818131744 /nfs/dbraw/zinc/13/17/44/818131744.db2.gz MRSXXSUJASUWDN-UHFFFAOYSA-N 1 0 389.499 4.243 20 0 GIADRO O=C(Nc1cc(Cl)ccc1N1CCCCC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000176876889 823315603 /nfs/dbraw/zinc/31/56/03/823315603.db2.gz VLSGYSGPSRHGBH-QGZVFWFLSA-N 1 0 390.959 4.280 20 0 GIADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)[C@H]1CCN(c2ccccc2Cl)C1)c1ccco1 ZINC000572296791 823315614 /nfs/dbraw/zinc/31/56/14/823315614.db2.gz UOSRAUKHYFSDOV-BQFCYCMXSA-N 1 0 389.927 4.005 20 0 GIADRO CC(C)c1ccc(C(=O)Nc2sccc2C(=O)N2CC[NH+]3CCC2CC3)cc1 ZINC000188838510 823315971 /nfs/dbraw/zinc/31/59/71/823315971.db2.gz XFUGPQLWSBLJCH-UHFFFAOYSA-N 1 0 397.544 4.044 20 0 GIADRO COc1ccc(CNC(=O)C2CC[NH+](C/C(C)=C\c3ccccc3)CC2)cc1 ZINC000012378731 818156618 /nfs/dbraw/zinc/15/66/18/818156618.db2.gz ZDJVJSXETFWTEP-MNDPQUGUSA-N 1 0 378.516 4.127 20 0 GIADRO CSc1cc(Br)ccc1C[NH2+][C@@H]1CCC[C@@H](N2CCCC2=O)C1 ZINC000572304642 823316634 /nfs/dbraw/zinc/31/66/34/823316634.db2.gz WHTUMKVCZPLBCX-HZPDHXFCSA-N 1 0 397.382 4.194 20 0 GIADRO CCn1ncc(C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)c1-c1ccccc1 ZINC000572313661 823318662 /nfs/dbraw/zinc/31/86/62/823318662.db2.gz WOXUOBBCWOXEDE-HXUWFJFHSA-N 1 0 396.922 4.256 20 0 GIADRO CCCc1occc1C(=O)Nc1cc(C)nn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000409836713 823320729 /nfs/dbraw/zinc/32/07/29/823320729.db2.gz ONODYDVESMGVMA-IBGZPJMESA-N 1 0 392.503 4.436 20 0 GIADRO COc1cccc(C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000013443566 818212784 /nfs/dbraw/zinc/21/27/84/818212784.db2.gz CVTGZSHIONODBU-UHFFFAOYSA-N 1 0 380.532 4.160 20 0 GIADRO COC(=O)C[C@H]([NH2+]Cc1coc(-c2c(F)cccc2F)n1)C1CCCCC1 ZINC000572324393 823320265 /nfs/dbraw/zinc/32/02/65/823320265.db2.gz WRTGWNRQABCTSS-KRWDZBQOSA-N 1 0 378.419 4.221 20 0 GIADRO C[NH+](C)C1(CNC(=O)c2cc(-c3ccncc3)nc3ccccc32)CCCCC1 ZINC000014050737 818218346 /nfs/dbraw/zinc/21/83/46/818218346.db2.gz YYBXBPROXAOYSW-UHFFFAOYSA-N 1 0 388.515 4.291 20 0 GIADRO Cc1ccccc1C1(C[NH2+][C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)CCOCC1 ZINC000122201959 823321185 /nfs/dbraw/zinc/32/11/85/823321185.db2.gz GAVZPXPKJXAHQI-PMACEKPBSA-N 1 0 388.552 4.079 20 0 GIADRO C[C@H]([NH2+]C1(CNC(=O)NCCCc2nccs2)CCCC1)c1ccccc1 ZINC000460220300 823321502 /nfs/dbraw/zinc/32/15/02/823321502.db2.gz GRAKZSMBVMPTEX-KRWDZBQOSA-N 1 0 386.565 4.039 20 0 GIADRO C[NH+](C)Cc1ccccc1CNC(=O)COc1ccc(Oc2ccccc2)cc1 ZINC000014314152 818234018 /nfs/dbraw/zinc/23/40/18/818234018.db2.gz DWGMRXMKKSIQEH-UHFFFAOYSA-N 1 0 390.483 4.236 20 0 GIADRO COc1ccc(C(=O)C2CC[NH+](Cc3cc(=O)oc4cc(C)ccc34)CC2)cc1 ZINC000014325629 818235174 /nfs/dbraw/zinc/23/51/74/818235174.db2.gz UISWKCJVFCIKBV-UHFFFAOYSA-N 1 0 391.467 4.205 20 0 GIADRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)Cc1cccc(C(F)(F)F)c1 ZINC000014334716 818235775 /nfs/dbraw/zinc/23/57/75/818235775.db2.gz CHGCEUOAHLZORA-AZUAARDMSA-N 1 0 388.433 4.391 20 0 GIADRO COc1ccc(C(=O)Nc2cccc(CN3C[C@H]([NH+]4CCCC4)C[C@@H]3C)c2)cc1 ZINC000572352037 823326254 /nfs/dbraw/zinc/32/62/54/823326254.db2.gz PDJCAYUDGLEMPP-PGRDOPGGSA-N 1 0 393.531 4.006 20 0 GIADRO CSC1(C[NH2+][C@@H](C)c2nc(-c3ccc(Br)cc3)no2)CCC1 ZINC000572330415 823322415 /nfs/dbraw/zinc/32/24/15/823322415.db2.gz OSQWSFGIEAMADA-NSHDSACASA-N 1 0 382.327 4.435 20 0 GIADRO C[C@H](C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000409841107 823322475 /nfs/dbraw/zinc/32/24/75/823322475.db2.gz FFNAYVCWRIHHRH-GMBSWORKSA-N 1 0 380.454 4.284 20 0 GIADRO Cc1cc(C)n2c(C[NH+]3CCC(c4nc5cccc(C)c5o4)CC3)cnc2n1 ZINC000188884061 823322652 /nfs/dbraw/zinc/32/26/52/823322652.db2.gz GPZKEAPBGLUQKX-UHFFFAOYSA-N 1 0 375.476 4.175 20 0 GIADRO C[C@@H]([NH2+]C1(CNC(=O)N2CCC(F)(F)[C@@H](C)C2)CCCC1)c1ccccc1 ZINC000460222832 823322642 /nfs/dbraw/zinc/32/26/42/823322642.db2.gz AASZKSXGYLFTGD-DLBZAZTESA-N 1 0 379.495 4.337 20 0 GIADRO CC[NH+]1CCC(CNC(=O)c2ccc(-n3ncc4ccccc43)cc2Cl)CC1 ZINC000572334375 823323107 /nfs/dbraw/zinc/32/31/07/823323107.db2.gz LTJDKBQGCKBZOT-UHFFFAOYSA-N 1 0 396.922 4.141 20 0 GIADRO CC[C@H](C)c1nnc(N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)n1CC ZINC000460229711 823324199 /nfs/dbraw/zinc/32/41/99/823324199.db2.gz ABJSJEUDMSZIAX-INIZCTEOSA-N 1 0 375.948 4.177 20 0 GIADRO COc1ccccc1C[C@H](C)CC(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000409847356 823324241 /nfs/dbraw/zinc/32/42/41/823324241.db2.gz DOPJOJGBKDLYRK-IPJJNNNSSA-N 1 0 380.532 4.216 20 0 GIADRO Cc1c(NC(=O)c2ccc(C[NH+]3CCSCC3)cc2)cnn1CCC(C)C ZINC000122227925 823324488 /nfs/dbraw/zinc/32/44/88/823324488.db2.gz CQDBFDZVNHPQIN-UHFFFAOYSA-N 1 0 386.565 4.039 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)c1cccc(CO)c1 ZINC000122228929 823324761 /nfs/dbraw/zinc/32/47/61/823324761.db2.gz FWJYFZNETDSKJS-MLGOLLRUSA-N 1 0 399.844 4.176 20 0 GIADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Nc1cccc(Br)c1Cl ZINC000572344692 823324943 /nfs/dbraw/zinc/32/49/43/823324943.db2.gz LIKYLVOPUMHRMX-GFCCVEGCSA-N 1 0 388.737 4.441 20 0 GIADRO CCC[NH+]1CCC(N(C)c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC)CC1 ZINC000460231494 823325034 /nfs/dbraw/zinc/32/50/34/823325034.db2.gz KOZJNERYVAFQFZ-IBGZPJMESA-N 1 0 399.583 4.365 20 0 GIADRO CN(C(=O)c1cccc(C2CCC2)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000409852691 823326534 /nfs/dbraw/zinc/32/65/34/823326534.db2.gz JTXVTNGXQOIEAB-RPWUZVMVSA-N 1 0 397.607 4.363 20 0 GIADRO COc1cccc([C@@H](CNc2nc(C)nc3sc4c(c32)CCC4)[NH+](C)C)c1 ZINC000015129020 818293465 /nfs/dbraw/zinc/29/34/65/818293465.db2.gz XFXJMGJJJZDVGX-QGZVFWFLSA-N 1 0 382.533 4.212 20 0 GIADRO CC1=CC[N@H+](CCNC(=O)N(Cc2cccc(-c3cccnc3)c2)C2CC2)CC1 ZINC000460237610 823326830 /nfs/dbraw/zinc/32/68/30/823326830.db2.gz ZWJIUINDTLAAOY-UHFFFAOYSA-N 1 0 390.531 4.075 20 0 GIADRO COc1ccc(C(=O)C(C(=S)Nc2ccccc2C)[n+]2ccccc2)cc1 ZINC000015245861 818302383 /nfs/dbraw/zinc/30/23/83/818302383.db2.gz ZDOYBECDBPPPCI-UHFFFAOYSA-O 1 0 377.489 4.342 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)Nc2ccc(O)cc2)CC1 ZINC000572360602 823327292 /nfs/dbraw/zinc/32/72/92/823327292.db2.gz XIANYRXSKHTHEG-UHFFFAOYSA-N 1 0 375.856 4.163 20 0 GIADRO O=S(=O)(NCc1ccc(C[NH+]2CCCC2)cc1)c1c(Cl)cccc1Cl ZINC000015336015 818314380 /nfs/dbraw/zinc/31/43/80/818314380.db2.gz IEZMBJKWAUSNBW-UHFFFAOYSA-N 1 0 399.343 4.068 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNS(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000015362003 818317223 /nfs/dbraw/zinc/31/72/23/818317223.db2.gz ZLGNDSIVQSVDLU-BUHFOSPRSA-N 1 0 392.952 4.272 20 0 GIADRO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000122257005 823328625 /nfs/dbraw/zinc/32/86/25/823328625.db2.gz KOPPSSKRXZHBCO-KUHUBIRLSA-N 1 0 395.471 4.117 20 0 GIADRO CC(C)(C)c1cnc(C[NH2+]C[C@H](CO)Cc2ccccc2Br)s1 ZINC000572391463 823331956 /nfs/dbraw/zinc/33/19/56/823331956.db2.gz MWMHPASIPKYINY-CYBMUJFWSA-N 1 0 397.382 4.144 20 0 GIADRO O=C(CC[N@@H+]1CCC[C@H]1c1cccs1)Nc1ccc(N2CCCC2=O)cc1 ZINC000015479346 818328414 /nfs/dbraw/zinc/32/84/14/818328414.db2.gz WLPXZSYWFMZDIE-SFHVURJKSA-N 1 0 383.517 4.041 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1cc(C)ccc1OC ZINC000015499751 818330611 /nfs/dbraw/zinc/33/06/11/818330611.db2.gz JYUTXTDLGONSSF-KBPBESRZSA-N 1 0 376.884 4.343 20 0 GIADRO C[C@H](O)[C@@](C)(C[NH2+]C1CCN(CCc2ccc(F)cc2)CC1)Cc1ccccc1 ZINC000188929179 823329651 /nfs/dbraw/zinc/32/96/51/823329651.db2.gz XLQWUFWDSAZAFM-NBGIEHNGSA-N 1 0 398.566 4.052 20 0 GIADRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1cc(Cl)ccc1F ZINC000015607240 818346513 /nfs/dbraw/zinc/34/65/13/818346513.db2.gz QBJGKLLVEUGIBU-UHFFFAOYSA-N 1 0 388.874 4.423 20 0 GIADRO O=C(CC[N@@H+]1CCC[C@H]1c1nc2ccccc2s1)N1CCc2ccccc2C1 ZINC000188948598 823332230 /nfs/dbraw/zinc/33/22/30/823332230.db2.gz BRPFWNQBDCWLIJ-FQEVSTJZSA-N 1 0 391.540 4.408 20 0 GIADRO Cc1cc(Br)cc(C)c1NC(=O)NCCC[NH+]1CCCCCC1 ZINC000057773463 823330830 /nfs/dbraw/zinc/33/08/30/823330830.db2.gz CPWGCRZEOIKRNC-UHFFFAOYSA-N 1 0 382.346 4.454 20 0 GIADRO COc1ccc(CN(C)C(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2SC)cc1F ZINC000409868589 823330885 /nfs/dbraw/zinc/33/08/85/823330885.db2.gz NFGQMZBENXMCMJ-CABCVRRESA-N 1 0 390.524 4.254 20 0 GIADRO Cc1ccc([C@H](CCn2cncn2)[NH2+]C[C@H]2CC[C@H](c3ccccc3)O2)cc1 ZINC000572400637 823332862 /nfs/dbraw/zinc/33/28/62/823332862.db2.gz SFACRVAHDSYBLY-XPWALMASSA-N 1 0 376.504 4.228 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(Oc2cccnc2)cc1)Cc1ccccc1 ZINC000572402824 823332876 /nfs/dbraw/zinc/33/28/76/823332876.db2.gz IMVQKIFMENSZMO-HXUWFJFHSA-N 1 0 390.487 4.168 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)CCc1ccc([C@@H]2C[C@H]2C)o1)[NH+]1CCCC1 ZINC000057789450 823333504 /nfs/dbraw/zinc/33/35/04/823333504.db2.gz AFRIMRKTTXZBGP-UIFIKXQLSA-N 1 0 396.531 4.298 20 0 GIADRO Cc1cc(NC(=O)NCCC[NH+]2CCCCCC2)ccc1NC(=O)c1ccco1 ZINC000057793949 823333694 /nfs/dbraw/zinc/33/36/94/823333694.db2.gz FCPNWAQIBRDKBJ-UHFFFAOYSA-N 1 0 398.507 4.228 20 0 GIADRO Cc1cc(NC(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)ccc1-c1ccccc1 ZINC000460261453 823333724 /nfs/dbraw/zinc/33/37/24/823333724.db2.gz YCWYHWBMHLOFTA-LJQANCHMSA-N 1 0 395.547 4.219 20 0 GIADRO C[C@H](CNC(=O)[C@H]1C[C@H]1c1ccc([C@H]2C[C@H]2C)o1)N1CCc2sccc2C1 ZINC000409892172 823337372 /nfs/dbraw/zinc/33/73/72/823337372.db2.gz QOJXNWVMOPUCLW-YGTYDBBMSA-N 1 0 384.545 4.131 20 0 GIADRO COc1ccccc1[C@H](CNC(=S)Nc1ccc(C)cc1C)[NH+]1CCCC1 ZINC000016241302 818408945 /nfs/dbraw/zinc/40/89/45/818408945.db2.gz RDPFIMLFDAOPPK-FQEVSTJZSA-N 1 0 383.561 4.436 20 0 GIADRO Cc1cc(C(C)(C)NC(=O)NCCC2CC[NH+](C)CC2)ccc1Br ZINC000460265044 823334862 /nfs/dbraw/zinc/33/48/62/823334862.db2.gz YIDYQBMEZWUVQC-UHFFFAOYSA-N 1 0 396.373 4.024 20 0 GIADRO COc1cccc([C@@H](CNC(=S)Nc2cccc(Cl)c2)[NH+]2CCCC2)c1 ZINC000016244986 818411055 /nfs/dbraw/zinc/41/10/55/818411055.db2.gz LDVYBBSBIDIODI-LJQANCHMSA-N 1 0 389.952 4.472 20 0 GIADRO C[NH+](C)CCN(C(=O)CCc1cc(Br)cs1)C1CCCCC1 ZINC000409882231 823335276 /nfs/dbraw/zinc/33/52/76/823335276.db2.gz JDCFTYBTLJEDCQ-UHFFFAOYSA-N 1 0 387.387 4.166 20 0 GIADRO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](Cc2ccccc2)c2ccc(OC)cc2)C1 ZINC000460267993 823335317 /nfs/dbraw/zinc/33/53/17/823335317.db2.gz NWNPUQVPGVSFAO-OFNKIYASSA-N 1 0 395.547 4.010 20 0 GIADRO COc1ccc([C@H](CNC(=S)Nc2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000016315636 818421791 /nfs/dbraw/zinc/42/17/91/818421791.db2.gz UBEFMZKFCROZBC-IBGZPJMESA-N 1 0 389.952 4.472 20 0 GIADRO Cc1cc(NC(=O)N[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)n(C2CC[NH+](C)CC2)n1 ZINC000572429108 823337648 /nfs/dbraw/zinc/33/76/48/823337648.db2.gz NJDDDQHUTGXBAB-ZYSHUDEJSA-N 1 0 375.561 4.041 20 0 GIADRO CCC[N@H+](CCOc1ccccc1C)CC(=O)Nc1ccc(F)c(F)c1F ZINC000016390050 818433803 /nfs/dbraw/zinc/43/38/03/818433803.db2.gz IHCIDJHAZQJKDV-UHFFFAOYSA-N 1 0 380.410 4.142 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000016599678 818458891 /nfs/dbraw/zinc/45/88/91/818458891.db2.gz HDEPTACCSVRRSF-SFHVURJKSA-N 1 0 383.492 4.290 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1cc2c(s1)-c1ccccc1OC2)c1ccccc1 ZINC000016599069 818458903 /nfs/dbraw/zinc/45/89/03/818458903.db2.gz USCSGKCZBLGIMV-GOSISDBHSA-N 1 0 378.497 4.340 20 0 GIADRO CN(CC[NH+](C)C)C(=O)Nc1ccc(Oc2cccc(F)c2)c2ccncc12 ZINC000176972402 823339279 /nfs/dbraw/zinc/33/92/79/823339279.db2.gz IYUCNUHXCKNTHO-UHFFFAOYSA-N 1 0 382.439 4.192 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)/C=C/c1ccc(Br)o1 ZINC000016783915 818477533 /nfs/dbraw/zinc/47/75/33/818477533.db2.gz LJMYXCIASFBFNQ-ZRDIBKRKSA-N 1 0 391.309 4.214 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc(OC(C)C)c(OC)c1 ZINC000016783974 818477603 /nfs/dbraw/zinc/47/76/03/818477603.db2.gz XQSQQCIESNPVKB-UHFFFAOYSA-N 1 0 384.520 4.254 20 0 GIADRO C[C@@H](CCNC(=O)N1CCC(c2cccc(F)c2F)CC1)[NH+]1CCCCC1 ZINC000572454919 823343136 /nfs/dbraw/zinc/34/31/36/823343136.db2.gz OPOMCDLUMMPJEJ-INIZCTEOSA-N 1 0 379.495 4.118 20 0 GIADRO CC1CC[NH+]([C@@H](CNC(=O)N2CCc3ccccc3C2)c2cccs2)CC1 ZINC000017126508 818500907 /nfs/dbraw/zinc/50/09/07/818500907.db2.gz MAWQMYILTVDXDX-FQEVSTJZSA-N 1 0 383.561 4.289 20 0 GIADRO Cc1ccc(CCCC(=O)N[C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)s1 ZINC000176979300 823340939 /nfs/dbraw/zinc/34/09/39/823340939.db2.gz JEKXDFMIUIDFMO-HXUWFJFHSA-N 1 0 398.572 4.484 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)Nc2cccc(-n3cccn3)c2)cc1 ZINC000057862924 823343262 /nfs/dbraw/zinc/34/32/62/823343262.db2.gz YCWYXTFIIXLDLI-UHFFFAOYSA-N 1 0 377.492 4.036 20 0 GIADRO COc1ccc(C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)cc1 ZINC000017310335 818507883 /nfs/dbraw/zinc/50/78/83/818507883.db2.gz VIRGGWRNTODDAN-UHFFFAOYSA-N 1 0 384.483 4.292 20 0 GIADRO COc1ccc(CC[NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)cc1OC ZINC000017310918 818508022 /nfs/dbraw/zinc/50/80/22/818508022.db2.gz HTALJWKDZAYNKH-UHFFFAOYSA-N 1 0 387.483 4.375 20 0 GIADRO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000122344637 823341566 /nfs/dbraw/zinc/34/15/66/823341566.db2.gz BIBCAHYIPQFBGP-KRWDZBQOSA-N 1 0 383.584 4.332 20 0 GIADRO CCCC[C@@H]([NH2+]Cc1ccc(F)nc1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000189021426 823343368 /nfs/dbraw/zinc/34/33/68/823343368.db2.gz SKYGXYJYAKAJKG-HXUWFJFHSA-N 1 0 384.499 4.108 20 0 GIADRO CCc1ccc(-c2nc(CC(=O)N(C)[C@H]3CC[N@@H+](CC)C[C@@H]3C)cs2)cc1 ZINC000122352442 823342620 /nfs/dbraw/zinc/34/26/20/823342620.db2.gz ZFLKRRWTMZNLDZ-JXFKEZNVSA-N 1 0 385.577 4.104 20 0 GIADRO O=C(CCc1nc2ccccc2s1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000018019298 818539200 /nfs/dbraw/zinc/53/92/00/818539200.db2.gz AAYPHKXRNGAGQS-IBGZPJMESA-N 1 0 379.529 4.182 20 0 GIADRO Clc1ccc(OC[C@@H]2CCCO2)c(CNC2CC[NH+](C3CCCC3)CC2)c1 ZINC000176992627 823344900 /nfs/dbraw/zinc/34/49/00/823344900.db2.gz WITXDOFAQVVJEQ-NRFANRHFSA-N 1 0 392.971 4.394 20 0 GIADRO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000189032463 823345053 /nfs/dbraw/zinc/34/50/53/823345053.db2.gz AOOZZQIDCSPRNI-SUMWQHHRSA-N 1 0 389.540 4.340 20 0 GIADRO COc1ccc([C@@H](CNC(=O)Nc2ccc(F)cc2F)[NH+]2CCCCC2)cc1 ZINC000018177068 818554561 /nfs/dbraw/zinc/55/45/61/818554561.db2.gz QWSQHBIKYURWPU-HXUWFJFHSA-N 1 0 389.446 4.322 20 0 GIADRO COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000572479574 823347101 /nfs/dbraw/zinc/34/71/01/823347101.db2.gz VHGFNZLMKXIMSQ-NWSQWKLXSA-N 1 0 379.504 4.096 20 0 GIADRO CCc1ccccc1NC(=S)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000018925438 818581056 /nfs/dbraw/zinc/58/10/56/818581056.db2.gz LCSAKIXKJFRTIW-FQEVSTJZSA-N 1 0 383.561 4.381 20 0 GIADRO C[NH+](C)CCN(Cc1cccs1)C(=O)NC[C@H](c1ccccc1)C(F)(F)F ZINC000189048800 823348309 /nfs/dbraw/zinc/34/83/09/823348309.db2.gz MMRJXIGQFNDQCH-QGZVFWFLSA-N 1 0 399.482 4.167 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(NC(=O)C2CCC2)c1)c1ccc(N2CCOC2=O)cc1 ZINC000122422800 823351823 /nfs/dbraw/zinc/35/18/23/823351823.db2.gz KIXWNCOCIWGDAW-INIZCTEOSA-N 1 0 393.487 4.233 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Cc1c(F)cccc1Cl)c1cccc(OC)c1 ZINC000021070974 818651632 /nfs/dbraw/zinc/65/16/32/818651632.db2.gz LLQFIYWUWSCUCX-FQEVSTJZSA-N 1 0 392.902 4.230 20 0 GIADRO CCCc1noc2nc(CC)cc(C(=O)N[C@@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)c12 ZINC000409959900 823354366 /nfs/dbraw/zinc/35/43/66/823354366.db2.gz MPIUTDXLLKRDIH-JKSUJKDBSA-N 1 0 398.551 4.121 20 0 GIADRO Cc1nn(C)c(=O)c(-c2nc(C[N@H+](C3CC3)C3CCC(C)CC3)cs2)c1C ZINC000177034505 823355482 /nfs/dbraw/zinc/35/54/82/823355482.db2.gz ONYIQZMWZOGXOZ-UHFFFAOYSA-N 1 0 386.565 4.064 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cc(NC(=O)C(C)(C)C)ccc2C)C1 ZINC000177030594 823354407 /nfs/dbraw/zinc/35/44/07/823354407.db2.gz MEYXBZLWHYCEAP-QGZVFWFLSA-N 1 0 388.556 4.175 20 0 GIADRO COc1ccc(C[C@H](CO)C[NH2+]C2CCC(C)(c3ccccc3)CC2)cc1O ZINC000572527117 823354751 /nfs/dbraw/zinc/35/47/51/823354751.db2.gz TYXANNJHPVLSRQ-RNQSCQIESA-N 1 0 383.532 4.042 20 0 GIADRO O=C1C[C@@H](C[NH2+][C@@H](c2ccc(F)cc2)c2cnc3ccccc3c2)CN1C1CC1 ZINC000572531907 823355542 /nfs/dbraw/zinc/35/55/42/823355542.db2.gz OKWISSMJKCYXAG-FYSMJZIKSA-N 1 0 389.474 4.064 20 0 GIADRO C[NH+](C)CC1(CNC(=O)C(C)(C)c2csc(-c3cccs3)n2)CCCC1 ZINC000409945662 823350213 /nfs/dbraw/zinc/35/02/13/823350213.db2.gz CKUBAXGGOZSKOF-UHFFFAOYSA-N 1 0 391.606 4.387 20 0 GIADRO CCCCC[C@@H](C)NC(=O)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000057960379 823350391 /nfs/dbraw/zinc/35/03/91/823350391.db2.gz TWPKNBVHNMEABZ-GOSISDBHSA-N 1 0 387.568 4.475 20 0 GIADRO Cc1ccc(C)c(NC(=O)[C@@H](C)Nc2ccc(CC[NH+]3CCSCC3)cc2)c1 ZINC000057958311 823350525 /nfs/dbraw/zinc/35/05/25/823350525.db2.gz CJDLWGDUTUFRPL-LJQANCHMSA-N 1 0 397.588 4.334 20 0 GIADRO COc1ccc(C[NH2+]Cc2cc(O)cc(C(F)(F)F)c2)cc1OC(F)F ZINC000572506127 823350980 /nfs/dbraw/zinc/35/09/80/823350980.db2.gz RSRLSCHAQCIUTG-UHFFFAOYSA-N 1 0 377.309 4.311 20 0 GIADRO COc1ccc(C[N@H+](CCC(=O)Nc2cc(N)ccc2F)[C@H](C)C2CC2)cc1 ZINC000177020922 823351040 /nfs/dbraw/zinc/35/10/40/823351040.db2.gz CYQWTFMMCDRQEM-OAHLLOKOSA-N 1 0 385.483 4.046 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)CCc2ncc(-c3ccccc3Cl)o2)cc1 ZINC000021401618 818684127 /nfs/dbraw/zinc/68/41/27/818684127.db2.gz SKEFWFILDIOSAX-UHFFFAOYSA-N 1 0 397.906 4.306 20 0 GIADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C2(Cc3cccs3)CCCCC2)C1 ZINC000572534405 823356034 /nfs/dbraw/zinc/35/60/34/823356034.db2.gz AGJNSVIDQBBZJS-LJQANCHMSA-N 1 0 392.609 4.200 20 0 GIADRO CC(C)([C@@H](NC(=O)COc1ccsc1)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000409966288 823356874 /nfs/dbraw/zinc/35/68/74/823356874.db2.gz XHMNNGDYYTVUKR-IBGZPJMESA-N 1 0 394.487 4.137 20 0 GIADRO Nc1ccc(F)c(NC(=O)CC[N@H+](Cc2ccc3c(c2)CCO3)C2CCCC2)c1 ZINC000177044670 823358371 /nfs/dbraw/zinc/35/83/71/823358371.db2.gz BINDAISNQDXJFE-UHFFFAOYSA-N 1 0 397.494 4.116 20 0 GIADRO COCc1cccc(NC(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCCC2)c1 ZINC000058058929 823358548 /nfs/dbraw/zinc/35/85/48/823358548.db2.gz GZPRTVRSHAOJGS-JOCHJYFZSA-N 1 0 397.519 4.190 20 0 GIADRO CC1(C)CC(NC(=O)Nc2cc(Br)c(F)cc2F)CC(C)(C)[NH2+]1 ZINC000189106968 823358645 /nfs/dbraw/zinc/35/86/45/823358645.db2.gz WCWCNMRCMSLRLN-UHFFFAOYSA-N 1 0 390.272 4.158 20 0 GIADRO Cc1ccc(C[N@H+](CCc2ccccc2)Cc2cc(=O)n3ccccc3n2)s1 ZINC000058068369 823358978 /nfs/dbraw/zinc/35/89/78/823358978.db2.gz BKWGLVRCYHGQCT-UHFFFAOYSA-N 1 0 389.524 4.309 20 0 GIADRO c1nc(-c2ccncc2)sc1C[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000572550588 823359435 /nfs/dbraw/zinc/35/94/35/823359435.db2.gz QDMBPWFURBERNZ-HXUWFJFHSA-N 1 0 379.485 4.217 20 0 GIADRO C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000189127636 823361483 /nfs/dbraw/zinc/36/14/83/823361483.db2.gz BPQYFQNRERTXNL-CVDCTZTESA-N 1 0 392.543 4.172 20 0 GIADRO COc1ccc(C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)c(C(F)(F)F)c1 ZINC000189121105 823360335 /nfs/dbraw/zinc/36/03/35/823360335.db2.gz IULCJEWBGOJLRF-UHFFFAOYSA-N 1 0 393.384 4.388 20 0 GIADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(C)(C)c2csc(-c3cccs3)n2)C1 ZINC000409977794 823360503 /nfs/dbraw/zinc/36/05/03/823360503.db2.gz GSKWZETYMFRSBS-CABCVRRESA-N 1 0 389.590 4.092 20 0 GIADRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)C1 ZINC000409978499 823360517 /nfs/dbraw/zinc/36/05/17/823360517.db2.gz JBBGNGDJAUDOHF-LJQANCHMSA-N 1 0 388.515 4.001 20 0 GIADRO Cc1ccc(-c2c[nH]cc2C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)s1 ZINC000189123525 823360632 /nfs/dbraw/zinc/36/06/32/823360632.db2.gz HIDKAURCFWWAJF-IBGZPJMESA-N 1 0 393.556 4.346 20 0 GIADRO CCCCCOc1cc(C[NH+]2CCC(C(=O)N3CCCC3)CC2)ccc1OC ZINC000122492644 823362507 /nfs/dbraw/zinc/36/25/07/823362507.db2.gz JJEQVYNUYWMCPY-UHFFFAOYSA-N 1 0 388.552 4.099 20 0 GIADRO O=C(CC[NH+]1CCC(Oc2ccccc2Cl)CC1)N1CCc2ccccc2C1 ZINC000189133049 823362646 /nfs/dbraw/zinc/36/26/46/823362646.db2.gz YUKKRWGWKLISOG-UHFFFAOYSA-N 1 0 398.934 4.158 20 0 GIADRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCC(=O)Nc1cccc(Cl)c1 ZINC000460357973 823363121 /nfs/dbraw/zinc/36/31/21/823363121.db2.gz JMBXAMPWCIWXCF-YPGOJHLTSA-N 1 0 385.939 4.025 20 0 GIADRO CCCN(CC[NH+]1CCCCCC1)C(=O)NCc1cc(-c2ccccc2)on1 ZINC000460359810 823363455 /nfs/dbraw/zinc/36/34/55/823363455.db2.gz CFUJXLFYQDUOEX-UHFFFAOYSA-N 1 0 384.524 4.139 20 0 GIADRO CCOc1ccc(CN(C)C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000022429110 818805990 /nfs/dbraw/zinc/80/59/90/818805990.db2.gz ZZKSYSXQVJGIIX-UHFFFAOYSA-N 1 0 395.547 4.413 20 0 GIADRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)C1 ZINC000409992591 823365272 /nfs/dbraw/zinc/36/52/72/823365272.db2.gz LOLOMOOTDZPXFE-QGZVFWFLSA-N 1 0 394.544 4.063 20 0 GIADRO CC(C)[C@H]1C[C@@H](CNC(=O)Nc2cccc(-c3ncc4n3CCCC4)c2)CCO1 ZINC000572596828 823367341 /nfs/dbraw/zinc/36/73/41/823367341.db2.gz LJKLYFLYHLZXES-LAUBAEHRSA-N 1 0 396.535 4.459 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)Nc2cc(Br)c(F)cc2F)cc1 ZINC000189149920 823365614 /nfs/dbraw/zinc/36/56/14/823365614.db2.gz GZHWRGOZDRMSNH-UHFFFAOYSA-N 1 0 398.251 4.111 20 0 GIADRO C[C@@H](NC(=O)C[NH+]1CCC([C@@H]2CCCO2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000189155873 823366628 /nfs/dbraw/zinc/36/66/28/823366628.db2.gz XVAJLOVVEDIEAO-ACJLOTCBSA-N 1 0 385.335 4.062 20 0 GIADRO CC(C)[N@@H+](Cc1ccc(NC(=O)c2ccc(F)cn2)cc1)C[C@H]1CCCCO1 ZINC000409999754 823367682 /nfs/dbraw/zinc/36/76/82/823367682.db2.gz QJJVYADOGWIGII-HXUWFJFHSA-N 1 0 385.483 4.253 20 0 GIADRO C[C@H](Sc1ccc(Cl)cc1)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000022682545 818842898 /nfs/dbraw/zinc/84/28/98/818842898.db2.gz YLBIYXUOXRXYBW-SCLBCKFNSA-N 1 0 380.916 4.379 20 0 GIADRO Cc1cc(NC(=O)C2CCN(c3cc[nH+]cc3C)CC2)nc(-c2ccccc2)n1 ZINC000572606721 823368561 /nfs/dbraw/zinc/36/85/61/823368561.db2.gz UFCBLXVODVRJEV-UHFFFAOYSA-N 1 0 387.487 4.011 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(F)ccc1Br)c1ccccc1 ZINC000022752684 818856024 /nfs/dbraw/zinc/85/60/24/818856024.db2.gz VXZWSYNPZFGPQF-SFHVURJKSA-N 1 0 393.300 4.401 20 0 GIADRO CC[N@@H+]1CCC[C@@H](CNC(=O)Nc2cc3oc4ccccc4c3cc2OC)C1 ZINC000058212882 823369138 /nfs/dbraw/zinc/36/91/38/823369138.db2.gz SPQTXLGMRGHSOP-HNNXBMFYSA-N 1 0 381.476 4.448 20 0 GIADRO CSc1ccccc1[C@@H](C)NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000410025925 823373663 /nfs/dbraw/zinc/37/36/63/823373663.db2.gz KZCGFZYHHNBULK-QGZVFWFLSA-N 1 0 383.561 4.433 20 0 GIADRO Cc1ccc(C[N@@H+]2CCCN(CC(=O)Nc3c(C)cc(C)cc3Cl)CC2)cc1 ZINC000022831443 818864778 /nfs/dbraw/zinc/86/47/78/818864778.db2.gz QCDUYGHQROUJFA-UHFFFAOYSA-N 1 0 399.966 4.412 20 0 GIADRO COc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC([C@@H]3CCCO3)CC2)cc1 ZINC000189172191 823369622 /nfs/dbraw/zinc/36/96/22/823369622.db2.gz BBTHTTYAPSIECK-GOTSBHOMSA-N 1 0 394.515 4.266 20 0 GIADRO COc1cccc(-c2ccc(C[NH2+][C@@H](C)c3cccc(-n4cnnn4)c3)cc2)c1 ZINC000122542062 823369646 /nfs/dbraw/zinc/36/96/46/823369646.db2.gz LTHODBZHAYEUGG-KRWDZBQOSA-N 1 0 385.471 4.189 20 0 GIADRO C[C@H](c1ccncc1)N1CCC([NH2+][C@@H](C)c2cncc(Br)c2)CC1 ZINC000572617812 823369950 /nfs/dbraw/zinc/36/99/50/823369950.db2.gz IRYNDTWAOZVRFT-LSDHHAIUSA-N 1 0 389.341 4.115 20 0 GIADRO CC(C)(C)c1ccccc1NC(=O)CN1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000022983390 818884480 /nfs/dbraw/zinc/88/44/80/818884480.db2.gz RHEAPIWMIFFMMH-UHFFFAOYSA-N 1 0 397.538 4.270 20 0 GIADRO C[C@H](Oc1ccc(F)cc1)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000058248603 823371336 /nfs/dbraw/zinc/37/13/36/823371336.db2.gz HSSZWCDHLNRRMO-HNNXBMFYSA-N 1 0 390.886 4.027 20 0 GIADRO CCS[C@@H]1CC[C@H](N(C)C(=O)NCc2ccccc2C[N@H+](C)C(C)C)C1 ZINC000122554497 823371434 /nfs/dbraw/zinc/37/14/34/823371434.db2.gz LMZVUUNNKKXFCB-VQTJNVASSA-N 1 0 377.598 4.342 20 0 GIADRO C[C@H](OC[C@@H](O)C[NH2+]C[C@@H]1CSc2ccccc21)c1ccc(Cl)cc1 ZINC000572632358 823371721 /nfs/dbraw/zinc/37/17/21/823371721.db2.gz ZOSWCNNABRNYLX-LESCRADOSA-N 1 0 377.937 4.258 20 0 GIADRO COc1ccc([C@@H](CNC(=O)NCc2ccc(C)c(F)c2)[NH+]2CCCCC2)cc1 ZINC000023174444 818905129 /nfs/dbraw/zinc/90/51/29/818905129.db2.gz KFHNWOJFNCJTHZ-JOCHJYFZSA-N 1 0 399.510 4.169 20 0 GIADRO CC[NH+](CC)CCOc1ccc(CNC(=O)c2cc(C)n(C3CC3)c2C)cc1 ZINC000058258412 823372232 /nfs/dbraw/zinc/37/22/32/823372232.db2.gz WNAXVPRUFUOLSY-UHFFFAOYSA-N 1 0 383.536 4.090 20 0 GIADRO Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000189187048 823372298 /nfs/dbraw/zinc/37/22/98/823372298.db2.gz FKPKTFNABDSQGO-XHDPSFHLSA-N 1 0 393.409 4.024 20 0 GIADRO CC[NH+](CC)CCOc1ccc(CNC(=O)c2[nH]c3ccccc3c2Cl)cc1 ZINC000058259939 823372349 /nfs/dbraw/zinc/37/23/49/823372349.db2.gz ZAQDXAMCYYHDOU-UHFFFAOYSA-N 1 0 399.922 4.472 20 0 GIADRO Cc1ccc(SCCC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1C ZINC000023228168 818913895 /nfs/dbraw/zinc/91/38/95/818913895.db2.gz GYRWABCDTMFDPR-UHFFFAOYSA-N 1 0 383.561 4.176 20 0 GIADRO CN(C)[C@@H](C[NH2+]Cc1c(-c2ccccc2)nc2sccn12)Cc1ccccc1 ZINC000023256462 818917403 /nfs/dbraw/zinc/91/74/03/818917403.db2.gz PIPTYOOTEMXFPN-HXUWFJFHSA-N 1 0 390.556 4.325 20 0 GIADRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(C)C)C1 ZINC000058275376 823373862 /nfs/dbraw/zinc/37/38/62/823373862.db2.gz RSOYWUPJBPMUTQ-MRXNPFEDSA-N 1 0 388.943 4.111 20 0 GIADRO Cc1ccccc1[C@H]1CN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)[C@H](C)CO1 ZINC000460391837 823374058 /nfs/dbraw/zinc/37/40/58/823374058.db2.gz VUROZSYCISPABD-HYBUGGRVSA-N 1 0 392.543 4.196 20 0 GIADRO CC[N@@H+]1CCC[C@H](CNC(=O)C(CC)(CC)Cc2nc3ccccc3s2)C1 ZINC000058275310 823374153 /nfs/dbraw/zinc/37/41/53/823374153.db2.gz GSRXPNJRALFACI-QGZVFWFLSA-N 1 0 387.593 4.493 20 0 GIADRO CC[NH+](CC)CCOc1ccc(C(=O)Nc2ccc3c(c2)OC(C)(C)O3)cc1 ZINC000058278723 823374453 /nfs/dbraw/zinc/37/44/53/823374453.db2.gz CNKUZADVKJCDFO-UHFFFAOYSA-N 1 0 384.476 4.167 20 0 GIADRO CC(C)[C@H]([NH2+]CC1CCC(c2ccccc2)CC1)c1nc(-c2nc[nH]n2)no1 ZINC000189200256 823374577 /nfs/dbraw/zinc/37/45/77/823374577.db2.gz SZCGAUCQQBFHMQ-VJFUWPCTSA-N 1 0 380.496 4.115 20 0 GIADRO Cc1c2ccc3ccccc3c2oc1C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000023508984 818950985 /nfs/dbraw/zinc/95/09/85/818950985.db2.gz OYADAJHVZFRMGG-HZPDHXFCSA-N 1 0 380.488 4.124 20 0 GIADRO Cc1ccc(NC(=O)[C@H]([NH2+]CCCOCC2CCOCC2)c2ccccc2)cc1 ZINC000122578615 823375960 /nfs/dbraw/zinc/37/59/60/823375960.db2.gz JZNDHAPRBOGIMH-HSZRJFAPSA-N 1 0 396.531 4.098 20 0 GIADRO C[NH+](C)CCN(C(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1ccccc1 ZINC000058297716 823376076 /nfs/dbraw/zinc/37/60/76/823376076.db2.gz SYTHRGTWIDFFAS-MSOLQXFVSA-N 1 0 376.422 4.404 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)c2ccccc2NCc2cccnc2)[NH+](C)C)cc1 ZINC000177120814 823376174 /nfs/dbraw/zinc/37/61/74/823376174.db2.gz WPHDYAJVEGXQKO-HSZRJFAPSA-N 1 0 388.515 4.035 20 0 GIADRO C[NH+]1CCN(Cc2cccc(NC(=O)c3cscc3-c3ccccc3)c2)CC1 ZINC000572652979 823376218 /nfs/dbraw/zinc/37/62/18/823376218.db2.gz WJSBHSVBKULXSU-UHFFFAOYSA-N 1 0 391.540 4.415 20 0 GIADRO CC(C)c1c(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cnn1-c1ccc(Cl)cc1 ZINC000058299322 823376312 /nfs/dbraw/zinc/37/63/12/823376312.db2.gz WRMVHVJGHOKKHH-RTBURBONSA-N 1 0 386.927 4.006 20 0 GIADRO Cc1nc(-c2ccc(C)cc2C)sc1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000058300855 823376444 /nfs/dbraw/zinc/37/64/44/823376444.db2.gz ILEOUORXMMSHGA-UHFFFAOYSA-N 1 0 383.561 4.436 20 0 GIADRO Cc1nc(-c2ccc(C)cc2C)sc1C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000058301006 823376492 /nfs/dbraw/zinc/37/64/92/823376492.db2.gz QZCGPLUWIMHSLY-GOSISDBHSA-N 1 0 383.561 4.436 20 0 GIADRO Cc1ccccc1-c1nnc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1C1CC1 ZINC000572654498 823376478 /nfs/dbraw/zinc/37/64/78/823376478.db2.gz FGQZRIFGCKODBG-DYESRHJHSA-N 1 0 377.536 4.042 20 0 GIADRO Cc1cc(-c2ncccc2NC(=O)N(CC[NH+](C)C)Cc2ccccn2)cs1 ZINC000189210585 823376559 /nfs/dbraw/zinc/37/65/59/823376559.db2.gz VCRMVUQPLNIAMA-UHFFFAOYSA-N 1 0 395.532 4.109 20 0 GIADRO C[C@H](c1ccccc1)[C@H](C)NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460399388 823376830 /nfs/dbraw/zinc/37/68/30/823376830.db2.gz IUPKTVAOSATAHF-NVXDSCFRSA-N 1 0 391.559 4.342 20 0 GIADRO CCOC(=O)c1cccc(OC[C@@H](O)C[NH2+][C@H](C)c2cccc3ccccc32)c1 ZINC000023676703 818972441 /nfs/dbraw/zinc/97/24/41/818972441.db2.gz VIWGJQDVILMTBS-XLIONFOSSA-N 1 0 393.483 4.107 20 0 GIADRO CCOC(=O)c1cccc(OC[C@H](O)C[NH2+][C@H](C)c2cccc3ccccc32)c1 ZINC000023676706 818972508 /nfs/dbraw/zinc/97/25/08/818972508.db2.gz VIWGJQDVILMTBS-YLJYHZDGSA-N 1 0 393.483 4.107 20 0 GIADRO CC(=O)CCc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccc3c(c2)CCCC3)cc1 ZINC000023677179 818973145 /nfs/dbraw/zinc/97/31/45/818973145.db2.gz VIPIJZFOBNKNJR-CYFREDJKSA-N 1 0 395.543 4.178 20 0 GIADRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccc(Br)cc1F ZINC000023741048 818978013 /nfs/dbraw/zinc/97/80/13/818978013.db2.gz UNMWZKJTMOSLLG-SFHVURJKSA-N 1 0 391.284 4.155 20 0 GIADRO Brc1ccccc1-c1cnc(C[NH+]2CCC([C@H]3CCCO3)CC2)o1 ZINC000189223569 823378317 /nfs/dbraw/zinc/37/83/17/823378317.db2.gz OQDVXOFBMMUCAT-QGZVFWFLSA-N 1 0 391.309 4.495 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)Cc1coc2cc(C)ccc12)[NH+]1CCCC1 ZINC000023979373 819001766 /nfs/dbraw/zinc/00/17/66/819001766.db2.gz VACUWRVIKCBNJT-OAQYLSRUSA-N 1 0 392.499 4.246 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)CSc1cc(C)ccc1C)[NH+]1CCCC1 ZINC000023982258 819002096 /nfs/dbraw/zinc/00/20/96/819002096.db2.gz FVUHHLRUFJTKQI-FQEVSTJZSA-N 1 0 398.572 4.357 20 0 GIADRO Cc1[nH]c2ccccc2c1CC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000572669381 823379192 /nfs/dbraw/zinc/37/91/92/823379192.db2.gz VWSKNIFFZMHRSV-VWLOTQADSA-N 1 0 387.527 4.143 20 0 GIADRO COc1ccc2c(C[NH2+][C@@H](C)c3ccc(Br)cc3)cc(=O)oc2c1 ZINC000023994774 819004166 /nfs/dbraw/zinc/00/41/66/819004166.db2.gz MSIZBMNVIJWNBT-LBPRGKRZSA-N 1 0 388.261 4.415 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]C[C@H](O)COc2ccc(C(C)(C)C)cc2)cc1F ZINC000024102413 819024086 /nfs/dbraw/zinc/02/40/86/819024086.db2.gz OPIWAXGYLFEJMP-QAPCUYQASA-N 1 0 375.484 4.222 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1nc(-c2ccccc2)oc1C ZINC000024182786 819030577 /nfs/dbraw/zinc/03/05/77/819030577.db2.gz XJUHOXIOZBSMQH-UHFFFAOYSA-N 1 0 377.488 4.422 20 0 GIADRO Cc1cc(Cl)ccc1O[C@H](C)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000024189283 819031013 /nfs/dbraw/zinc/03/10/13/819031013.db2.gz FORZOFMERQMOFR-QGZVFWFLSA-N 1 0 386.923 4.328 20 0 GIADRO Cc1c(C(=O)N[C@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)cnn1C(C)(C)C ZINC000410054193 823381355 /nfs/dbraw/zinc/38/13/55/823381355.db2.gz PKRCUUKZBRSCTR-OAQYLSRUSA-N 1 0 396.579 4.149 20 0 GIADRO CC[C@H]([NH2+]CC(=O)Nc1ccccc1N1CCCC1=O)c1ccc(Cl)cc1 ZINC000024255591 819039512 /nfs/dbraw/zinc/03/95/12/819039512.db2.gz JPXOUPTXGRZIIW-KRWDZBQOSA-N 1 0 385.895 4.146 20 0 GIADRO CC(=O)N/C(=C\c1ccccc1)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000058353598 823381769 /nfs/dbraw/zinc/38/17/69/823381769.db2.gz GJHZZXHXCFSCGH-KQWNVCNZSA-N 1 0 391.515 4.034 20 0 GIADRO Cc1ccc2c(C[N@@H+](Cc3ccccc3)C[C@H](O)c3ccco3)cc(=O)oc2c1 ZINC000177151633 823384238 /nfs/dbraw/zinc/38/42/38/823384238.db2.gz BSKPUWOHJWPZRY-NRFANRHFSA-N 1 0 389.451 4.430 20 0 GIADRO Cc1ccc(C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCCC4)cc1S(C)(=O)=O ZINC000572689378 823383489 /nfs/dbraw/zinc/38/34/89/823383489.db2.gz CMWPAUSCCBOPNZ-OAQYLSRUSA-N 1 0 399.556 4.281 20 0 GIADRO CN(C)C(=O)Sc1cccc(C[N@H+](CCc2ccccc2)[C@@H]2CCOC2)c1 ZINC000177150504 823383750 /nfs/dbraw/zinc/38/37/50/823383750.db2.gz ZABMNMAGAGNZPO-HXUWFJFHSA-N 1 0 384.545 4.294 20 0 GIADRO CS(=O)(=O)Cc1ccccc1C[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000189272139 823384649 /nfs/dbraw/zinc/38/46/49/823384649.db2.gz DXQNBEZIASDWNY-UHFFFAOYSA-N 1 0 391.842 4.193 20 0 GIADRO CCc1cccc(Cc2cnc(NC(=O)NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)s2)c1 ZINC000572696131 823385058 /nfs/dbraw/zinc/38/50/58/823385058.db2.gz NAICRBUXHIUZRL-AYHJJNSGSA-N 1 0 384.549 4.043 20 0 GIADRO CC[C@@H](C)[NH2+][C@H](CNC(=O)CCc1ncc(-c2ccccc2F)o1)c1ccco1 ZINC000572709260 823386748 /nfs/dbraw/zinc/38/67/48/823386748.db2.gz XKEHNBBHHRCYDD-CRAIPNDOSA-N 1 0 399.466 4.252 20 0 GIADRO C[NH2+]C[C@H]1CCCN(C(=O)c2ccc(-c3ccc(Br)s3)s2)C1 ZINC000572719948 823388404 /nfs/dbraw/zinc/38/84/04/823388404.db2.gz ZQIQWANITOOQHJ-LLVKDONJSA-N 1 0 399.379 4.311 20 0 GIADRO CCc1noc(-c2ccc(C)c(NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c2)n1 ZINC000177165595 823388562 /nfs/dbraw/zinc/38/85/62/823388562.db2.gz XYNGFHVEJRAPFN-KRWDZBQOSA-N 1 0 387.528 4.095 20 0 GIADRO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1ccccc1C(=O)c1ccc(F)cc1 ZINC000572744479 823391759 /nfs/dbraw/zinc/39/17/59/823391759.db2.gz ZLWBLZMZSXWGEO-LJQANCHMSA-N 1 0 382.479 4.003 20 0 GIADRO Cc1cc(C[NH2+]Cc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)c(C)s1 ZINC000572748820 823392360 /nfs/dbraw/zinc/39/23/60/823392360.db2.gz RQCPIHPVHMCNIY-UHFFFAOYSA-N 1 0 377.453 4.077 20 0 GIADRO Cn1cc(-c2ccccc2CNC(=O)c2cccc(C[NH+]3CCCCC3)c2)cn1 ZINC000572728761 823389500 /nfs/dbraw/zinc/38/95/00/823389500.db2.gz BPGZCFDLMAOSDJ-UHFFFAOYSA-N 1 0 388.515 4.003 20 0 GIADRO O=C(NCc1ccco1)c1cccc(C[N@H+](CCC(F)(F)F)CC2CC2)c1 ZINC000177171015 823390114 /nfs/dbraw/zinc/39/01/14/823390114.db2.gz QAOQBMDUGXLXFK-UHFFFAOYSA-N 1 0 380.410 4.374 20 0 GIADRO C[C@@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)Oc1ccccc1Cl ZINC000460442210 823390542 /nfs/dbraw/zinc/39/05/42/823390542.db2.gz DASJNQYYHAEKHS-KRWDZBQOSA-N 1 0 386.923 4.136 20 0 GIADRO COC1(C(=O)N[C@H]2CCCCC[C@@H]2c2ccccc2C(F)(F)F)CC[NH2+]CC1 ZINC000572764706 823394640 /nfs/dbraw/zinc/39/46/40/823394640.db2.gz HNKRVWPEVBXMLA-AEFFLSMTSA-N 1 0 398.469 4.007 20 0 GIADRO O=C(Nc1ccc(SCC[NH+]2CCCCC2)cc1)C1(c2cccnc2)CC1 ZINC000572767580 823395304 /nfs/dbraw/zinc/39/53/04/823395304.db2.gz IIQKBQIPWVMERA-UHFFFAOYSA-N 1 0 381.545 4.330 20 0 GIADRO COc1ccccc1CC(=O)N1CCC([NH2+]C2CCC3(CCCC3)CC2)CC1 ZINC000572768522 823395633 /nfs/dbraw/zinc/39/56/33/823395633.db2.gz MFDHGHSJABWUEH-UHFFFAOYSA-N 1 0 384.564 4.321 20 0 GIADRO O=C(NCCCn1ccc2ccccc21)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000058467335 823395803 /nfs/dbraw/zinc/39/58/03/823395803.db2.gz CHGSXOYTSVVLEF-OAQYLSRUSA-N 1 0 394.519 4.151 20 0 GIADRO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CCc1ccc(Cl)nc1 ZINC000122695273 823395957 /nfs/dbraw/zinc/39/59/57/823395957.db2.gz AAXZVOFQADKWRO-GFCCVEGCSA-N 1 0 385.817 4.303 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)N(C)CCOc2ccc(C)cc2)cc1 ZINC000058467526 823396233 /nfs/dbraw/zinc/39/62/33/823396233.db2.gz ZTCFHSPNCITRBJ-UHFFFAOYSA-N 1 0 383.536 4.057 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cc(Cl)ccc2OCC2CCC2)CC[N@@H+]1C ZINC000189341564 823397408 /nfs/dbraw/zinc/39/74/08/823397408.db2.gz RQPZOIXRRUSFKA-PBHICJAKSA-N 1 0 379.932 4.465 20 0 GIADRO CC1(C)C(=O)N[C@@H]1C1CC[NH+](CCCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000572778907 823397580 /nfs/dbraw/zinc/39/75/80/823397580.db2.gz YGLIYYOEDDQECU-GOSISDBHSA-N 1 0 398.469 4.101 20 0 GIADRO O=C(O[C@@H]1CCc2cccnc21)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000189343125 823397709 /nfs/dbraw/zinc/39/77/09/823397709.db2.gz LLXYPLBGGDWKEG-YLJYHZDGSA-N 1 0 390.405 4.067 20 0 GIADRO CC[C@H]([NH2+][C@H]1CCC[C@@H](N2CCCC2=O)C1)c1ccc(Br)cc1 ZINC000572781567 823397827 /nfs/dbraw/zinc/39/78/27/823397827.db2.gz URFCHXWWJHECFY-KSZLIROESA-N 1 0 379.342 4.423 20 0 GIADRO C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000410130995 823398278 /nfs/dbraw/zinc/39/82/78/823398278.db2.gz AXSYHMVAADUZCB-ZBFHGGJFSA-N 1 0 393.314 4.151 20 0 GIADRO O=C(N[C@@H]1CCCN(c2ccccc2)C1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000572792521 823399397 /nfs/dbraw/zinc/39/93/97/823399397.db2.gz AKUMWDSAIYOLGE-JOCHJYFZSA-N 1 0 377.532 4.071 20 0 GIADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)NCCc2ccc(C(C)(C)C)cc2)CC1 ZINC000410141518 823400298 /nfs/dbraw/zinc/40/02/98/823400298.db2.gz GTBHDPVLGDDMIB-UHFFFAOYSA-N 1 0 397.563 4.426 20 0 GIADRO CCC(CC)[C@H](CNC(=O)N1C[C@H](C)O[C@@H](c2ccccc2)C1)[NH+]1CCCC1 ZINC000410142880 823400626 /nfs/dbraw/zinc/40/06/26/823400626.db2.gz RBLCJIANSAIDDL-YUXAGFNASA-N 1 0 387.568 4.059 20 0 GIADRO Cc1nc2c(s1)[C@@H]([NH2+]C[C@@H](c1ccccc1Cl)N1CCOCC1)CCC2 ZINC000122725185 823400839 /nfs/dbraw/zinc/40/08/39/823400839.db2.gz JARPGACNYWECOU-HKUYNNGSSA-N 1 0 391.968 4.145 20 0 GIADRO CC[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@H](O)COCc1ccccc1OC ZINC000058523940 823403884 /nfs/dbraw/zinc/40/38/84/823403884.db2.gz SAPRSTCRYGPVMZ-YTFSRNRJSA-N 1 0 383.532 4.231 20 0 GIADRO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[NH2+][C@H](Cc1ccccc1)c1ccccc1F ZINC000122740770 823403865 /nfs/dbraw/zinc/40/38/65/823403865.db2.gz JZPIOJFZVYUSTJ-IIBYNOLFSA-N 1 0 394.494 4.077 20 0 GIADRO COc1ccc(C[C@@](C)(O)C[NH2+][C@@H](C)c2cc3c(s2)CCCC3)cc1OC ZINC000572805036 823402192 /nfs/dbraw/zinc/40/21/92/823402192.db2.gz DFIFTMPTMWULEZ-OYHNWAKOSA-N 1 0 389.561 4.288 20 0 GIADRO CCCN(CC[NH+]1CCCCCC1)C(=O)NC1CCC2(CCOCC2)CC1 ZINC000460481546 823403914 /nfs/dbraw/zinc/40/39/14/823403914.db2.gz XMSVOSGKNGAVPK-UHFFFAOYSA-N 1 0 379.589 4.023 20 0 GIADRO COCCOc1ccc([C@H](C)[NH2+][C@H](C)c2ccccc2-n2cccn2)cc1OC ZINC000177225297 823404025 /nfs/dbraw/zinc/40/40/25/823404025.db2.gz KZOZWUMLGQQEBD-ZWKOTPCHSA-N 1 0 395.503 4.318 20 0 GIADRO CCn1c(C[NH2+][C@H](C)[C@H](OC2CCOCC2)c2ccccc2)nc2ccccc21 ZINC000122744355 823404437 /nfs/dbraw/zinc/40/44/37/823404437.db2.gz OYCFTFKAPSLONF-KOSHJBKYSA-N 1 0 393.531 4.471 20 0 GIADRO CCOC(=O)N1CCC([C@H](C)[NH2+]Cc2cccc(OCc3ccccn3)c2)CC1 ZINC000189382029 823404957 /nfs/dbraw/zinc/40/49/57/823404957.db2.gz VDGGJQWUABQVLY-SFHVURJKSA-N 1 0 397.519 4.007 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)C1(c2cccc(F)c2)CCC1 ZINC000058531764 823404897 /nfs/dbraw/zinc/40/48/97/823404897.db2.gz RYBMOXXUYBJIJE-UHFFFAOYSA-N 1 0 384.470 4.167 20 0 GIADRO COc1ccc2c(c1)N(C(=O)c1ccc(C[NH+]3CCCCC3)cc1)C[C@H](C)O2 ZINC000460486096 823405085 /nfs/dbraw/zinc/40/50/85/823405085.db2.gz IZCIGRXLDIBYCB-KRWDZBQOSA-N 1 0 380.488 4.109 20 0 GIADRO COc1cc(NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)c(OC)cc1Cl ZINC000058532818 823405213 /nfs/dbraw/zinc/40/52/13/823405213.db2.gz UPPCQQHPCRRYGV-AWEZNQCLSA-N 1 0 383.920 4.133 20 0 GIADRO C[C@H]([NH2+]CCCN1CCc2ccccc2C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000122767214 823408636 /nfs/dbraw/zinc/40/86/36/823408636.db2.gz UVUSEBUWEXPCQT-KRWDZBQOSA-N 1 0 377.532 4.015 20 0 GIADRO CCOc1cc2c(cc1NC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)O[C@@H](C)C2 ZINC000058536384 823405808 /nfs/dbraw/zinc/40/58/08/823405808.db2.gz VPZZUOGNCODJME-SJORKVTESA-N 1 0 389.540 4.042 20 0 GIADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)NCC1(c2ccccc2)CCC1 ZINC000058538462 823406154 /nfs/dbraw/zinc/40/61/54/823406154.db2.gz YSSUHWMGQFCMOG-IBGZPJMESA-N 1 0 383.561 4.306 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)c2cccc(OCc3cccc(Cl)c3)c2)CC[N@@H+]1C ZINC000122761809 823407714 /nfs/dbraw/zinc/40/77/14/823407714.db2.gz FILFWWYKEKXKSG-UZLBHIALSA-N 1 0 386.923 4.474 20 0 GIADRO Cc1oc(-c2ccccc2)nc1CC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177239722 823407703 /nfs/dbraw/zinc/40/77/03/823407703.db2.gz OXXABYCKBSEJLP-UHFFFAOYSA-N 1 0 381.520 4.106 20 0 GIADRO Clc1cccc(Cl)c1-c1nnc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)o1 ZINC000572838566 823408163 /nfs/dbraw/zinc/40/81/63/823408163.db2.gz CODNQKHVWNYADT-SWLSCSKDSA-N 1 0 382.291 4.434 20 0 GIADRO CC[C@H](CNC(=O)Nc1ccc(N(C)C)cc1C)[N@@H+]1CCc2ccccc2C1 ZINC000058551897 823408193 /nfs/dbraw/zinc/40/81/93/823408193.db2.gz MOLJFSKTYJZKEL-HXUWFJFHSA-N 1 0 380.536 4.019 20 0 GIADRO Cc1ccc(-n2cc(C[NH2+]CC[C@@H](C)[S@](C)=O)c(-c3ccc(F)cc3)n2)cc1 ZINC000572862940 823410953 /nfs/dbraw/zinc/41/09/53/823410953.db2.gz FCZYPPUWJFICHS-UULLZXFKSA-N 1 0 399.535 4.234 20 0 GIADRO O=C(NCc1ccncc1C(F)(F)F)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000572864349 823411161 /nfs/dbraw/zinc/41/11/61/823411161.db2.gz XQODRPFTVXIAOY-UHFFFAOYSA-N 1 0 377.410 4.016 20 0 GIADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)CCc2ccc(OC(F)(F)F)cc2)C1 ZINC000410177459 823411671 /nfs/dbraw/zinc/41/16/71/823411671.db2.gz DWTNMEYSRLRTAO-NUJGCVRESA-N 1 0 398.469 4.382 20 0 GIADRO O=C(CC(F)(F)F)NC[C@@H]1CCC[N@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC000572887233 823413879 /nfs/dbraw/zinc/41/38/79/823413879.db2.gz LURUXZLEKRDZIU-KRWDZBQOSA-N 1 0 391.437 4.029 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000572877648 823412897 /nfs/dbraw/zinc/41/28/97/823412897.db2.gz RKPWARXTOXYFJK-GOSISDBHSA-N 1 0 387.524 4.108 20 0 GIADRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@H](c2ccco2)N(CC)CC)c2ccccc21 ZINC000572859543 823410297 /nfs/dbraw/zinc/41/02/97/823410297.db2.gz SEQLWRFBJLISQG-NJYVYQBISA-N 1 0 384.520 4.434 20 0 GIADRO O=C(Nc1cccc(-c2noc(C34CCC[NH+]3CCC4)n2)c1)c1ccccc1F ZINC000572859922 823410487 /nfs/dbraw/zinc/41/04/87/823410487.db2.gz RXABUIJQNCZBAY-UHFFFAOYSA-N 1 0 392.434 4.213 20 0 GIADRO C[C@H](Sc1nc2ccccc2s1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000058593745 823414344 /nfs/dbraw/zinc/41/43/44/823414344.db2.gz HSJWWHKVMNZHOS-RDJZCZTQSA-N 1 0 397.569 4.168 20 0 GIADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000177266952 823414709 /nfs/dbraw/zinc/41/47/09/823414709.db2.gz KJVBVPONBLFSAB-SJORKVTESA-N 1 0 378.919 4.496 20 0 GIADRO C[C@H]([NH2+]C1(CNC(=O)CSCc2cscn2)CCCC1)c1ccccc1 ZINC000122802048 823414773 /nfs/dbraw/zinc/41/47/73/823414773.db2.gz QGSIYOHENDFBDM-INIZCTEOSA-N 1 0 389.590 4.156 20 0 GIADRO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc3nc(C)ccc3c2)c2ccc(F)cc2C1 ZINC000189435257 823415394 /nfs/dbraw/zinc/41/53/94/823415394.db2.gz JSAWMBISARNSPY-HSZRJFAPSA-N 1 0 377.463 4.265 20 0 GIADRO Cc1ccc(C(=O)N(Cc2ccccc2Br)C2CC[NH+](C)CC2)o1 ZINC000572898369 823416477 /nfs/dbraw/zinc/41/64/77/823416477.db2.gz VTBZKCFPDUJPPV-UHFFFAOYSA-N 1 0 391.309 4.087 20 0 GIADRO COc1ccccc1CC(=O)N1CCC([NH2+][C@@H](C)c2ccccc2Cl)CC1 ZINC000177272876 823416996 /nfs/dbraw/zinc/41/69/96/823416996.db2.gz ZTAHDZVRQUTJPR-INIZCTEOSA-N 1 0 386.923 4.233 20 0 GIADRO Cc1oc(C(C)C)cc1C(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000572906891 823417413 /nfs/dbraw/zinc/41/74/13/823417413.db2.gz QXJTUJGPQUQENT-UHFFFAOYSA-N 1 0 384.520 4.159 20 0 GIADRO C[C@H]([NH2+]C[C@H](c1cccs1)N1CCOCC1)c1cccc(Br)c1 ZINC000410204287 823418874 /nfs/dbraw/zinc/41/88/74/823418874.db2.gz AOFARSWSOOPTRN-WMLDXEAASA-N 1 0 395.366 4.235 20 0 GIADRO COc1ccccc1-c1nc(C(=O)NCCC[N@H+](C)Cc2ccccc2)cs1 ZINC000058640859 823422216 /nfs/dbraw/zinc/42/22/16/823422216.db2.gz VDESMDPPRPGQJF-UHFFFAOYSA-N 1 0 395.528 4.071 20 0 GIADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)Nc1ccc2c(c1)C(=O)CCC2 ZINC000177290449 823422838 /nfs/dbraw/zinc/42/28/38/823422838.db2.gz YITQQSQXCWTBBO-SFHVURJKSA-N 1 0 383.517 4.226 20 0 GIADRO O=C(Nc1ccc(Cl)cn1)C1CC[NH+](CCOC2CCCCCC2)CC1 ZINC000122852733 823423738 /nfs/dbraw/zinc/42/37/38/823423738.db2.gz KOZAPBBUTUTSNK-UHFFFAOYSA-N 1 0 379.932 4.125 20 0 GIADRO C[C@H]([NH2+][C@H]1CCN(C(=O)C2CCCCC2)C1)c1cccc(Br)c1 ZINC000410223122 823424240 /nfs/dbraw/zinc/42/42/40/823424240.db2.gz BMFUMCGPXOYNCW-KSSFIOAISA-N 1 0 379.342 4.281 20 0 GIADRO CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H](c1nc(C)cs1)C1CC1 ZINC000460538571 823424321 /nfs/dbraw/zinc/42/43/21/823424321.db2.gz IZLDUENETRJILY-GOSISDBHSA-N 1 0 378.586 4.200 20 0 GIADRO CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@H](c1nc(C)cs1)C1CC1 ZINC000460538572 823424334 /nfs/dbraw/zinc/42/43/34/823424334.db2.gz IZLDUENETRJILY-SFHVURJKSA-N 1 0 378.586 4.200 20 0 GIADRO Cc1cccc(Oc2ccccc2C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000572924094 823420472 /nfs/dbraw/zinc/42/04/72/823420472.db2.gz CIOLDMFNSIKZFJ-IBGZPJMESA-N 1 0 394.515 4.018 20 0 GIADRO CC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CCN(c3c(C)cc(C)cc3C)C2=O)cc1 ZINC000189454748 823420627 /nfs/dbraw/zinc/42/06/27/823420627.db2.gz HBGBRWGGLSWMEN-UWJYYQICSA-N 1 0 379.504 4.026 20 0 GIADRO O=C(NC1CC[NH+](C2CCCC2)CC1)N(Cc1c(F)cccc1F)C1CC1 ZINC000189454766 823420772 /nfs/dbraw/zinc/42/07/72/823420772.db2.gz JNWRECXXDKBUHO-UHFFFAOYSA-N 1 0 377.479 4.046 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CC(C)(C)c2ccc3c(c2)OCO3)cc1NC(C)=O ZINC000122838673 823421306 /nfs/dbraw/zinc/42/13/06/823421306.db2.gz YISIUFRWZZDJSG-AWEZNQCLSA-N 1 0 384.476 4.011 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@@H]2CC(C)(C)c3ccccc32)cc1 ZINC000189474814 823425034 /nfs/dbraw/zinc/42/50/34/823425034.db2.gz DGSPRIDXVHJIDK-OAQYLSRUSA-N 1 0 393.531 4.006 20 0 GIADRO O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CC[C@@H](COCc2ccccc2)C1 ZINC000460541210 823425221 /nfs/dbraw/zinc/42/52/21/823425221.db2.gz BXWOCTRKIQZLHF-HSZRJFAPSA-N 1 0 392.543 4.351 20 0 GIADRO COc1ccc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1OC(F)F ZINC000122870128 823426514 /nfs/dbraw/zinc/42/65/14/823426514.db2.gz XPMGSVVCHTXNJX-MRXNPFEDSA-N 1 0 390.430 4.147 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCc3ncc(-c4ccccc4)cn3)ccc21 ZINC000572955596 823426563 /nfs/dbraw/zinc/42/65/63/823426563.db2.gz AAKNIWDOMAEJSP-OAQYLSRUSA-N 1 0 387.487 4.014 20 0 GIADRO Cc1cccc(-c2n[nH]cc2C[NH2+]CC2=CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000189481426 823427144 /nfs/dbraw/zinc/42/71/44/823427144.db2.gz RIQGGQGOGHTQCL-UHFFFAOYSA-N 1 0 382.508 4.042 20 0 GIADRO COCCc1ccccc1NC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000189481836 823427151 /nfs/dbraw/zinc/42/71/51/823427151.db2.gz RTTZBICHXOPVFR-LJQANCHMSA-N 1 0 395.547 4.429 20 0 GIADRO O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)[C@@H]1C[C@H]1c1cccc(O)c1 ZINC000572965131 823427280 /nfs/dbraw/zinc/42/72/80/823427280.db2.gz OYFFEJCTERKKKT-LEWJYISDSA-N 1 0 398.934 4.178 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc(OCc2ccccc2)nc1 ZINC000177304071 823427298 /nfs/dbraw/zinc/42/72/98/823427298.db2.gz AYCWXSFUMABBOE-UHFFFAOYSA-N 1 0 375.472 4.283 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)Nc2ccc3ccccc3c2)cc1 ZINC000189485357 823427746 /nfs/dbraw/zinc/42/77/46/823427746.db2.gz GOCZQXRSFHNZEP-UHFFFAOYSA-N 1 0 375.472 4.259 20 0 GIADRO Cc1cc(OCC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)ccc1C(C)C ZINC000122878879 823427770 /nfs/dbraw/zinc/42/77/70/823427770.db2.gz PEDLWGCYSZKUJJ-UHFFFAOYSA-N 1 0 384.520 4.213 20 0 GIADRO CC(C)(C)c1ccc(OC[C@@H](O)C[NH+]2CCC(F)(c3ccccn3)CC2)cc1 ZINC000572969873 823427928 /nfs/dbraw/zinc/42/79/28/823427928.db2.gz UEVILCFNRRBEOA-IBGZPJMESA-N 1 0 386.511 4.080 20 0 GIADRO CC(C)(C)c1ccc(OC[C@H](O)C[NH+]2CCC(F)(c3ccccn3)CC2)cc1 ZINC000572969875 823428008 /nfs/dbraw/zinc/42/80/08/823428008.db2.gz UEVILCFNRRBEOA-LJQANCHMSA-N 1 0 386.511 4.080 20 0 GIADRO CC[C@H](Cc1ccccc1Br)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000177309087 823428639 /nfs/dbraw/zinc/42/86/39/823428639.db2.gz ZNNSZTRRLXHTDY-MRXNPFEDSA-N 1 0 393.369 4.008 20 0 GIADRO C[C@H](C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1)c1ccc2ccccc2c1 ZINC000177310095 823428897 /nfs/dbraw/zinc/42/88/97/823428897.db2.gz NPXQQVYWTBYZPK-FQEVSTJZSA-N 1 0 393.575 4.010 20 0 GIADRO O=C(CCCCc1nc2ccccc2s1)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000572999572 823431728 /nfs/dbraw/zinc/43/17/28/823431728.db2.gz JMDFGDLPFQNBLN-LJQANCHMSA-N 1 0 379.529 4.012 20 0 GIADRO Cc1nc(-c2ccc(C)cc2C)sc1C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000572999321 823431811 /nfs/dbraw/zinc/43/18/11/823431811.db2.gz RMYHJOFQCCTXJI-MSOLQXFVSA-N 1 0 383.561 4.197 20 0 GIADRO CC(C)(C)OC(=O)N1CC=C(C[NH2+]Cc2cnc(-c3ccccc3)s2)CC1 ZINC000189503136 823432766 /nfs/dbraw/zinc/43/27/66/823432766.db2.gz KDDIALAZIHLOEK-UHFFFAOYSA-N 1 0 385.533 4.467 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)c3ccc(C)nc3C3CC3)C2)s1 ZINC000573008095 823432780 /nfs/dbraw/zinc/43/27/80/823432780.db2.gz SHYDOIZMTKCTGB-KRWDZBQOSA-N 1 0 383.561 4.231 20 0 GIADRO CCc1c(C(=O)NCc2ccccc2C[NH+](C)C)cnn1-c1cccc(Cl)c1 ZINC000024625086 819856735 /nfs/dbraw/zinc/85/67/35/819856735.db2.gz SAVQBLJYQPODJG-UHFFFAOYSA-N 1 0 396.922 4.080 20 0 GIADRO O=C(NCCCCOc1ccc(F)cc1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177323500 823433463 /nfs/dbraw/zinc/43/34/63/823433463.db2.gz NYEYSKLLFMXVLW-UHFFFAOYSA-N 1 0 391.531 4.081 20 0 GIADRO C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000024666471 819861796 /nfs/dbraw/zinc/86/17/96/819861796.db2.gz AKBCOGGNWVQFEC-SJLPKXTDSA-N 1 0 395.478 4.193 20 0 GIADRO COc1cc2c(cc1OC)[C@H](c1cccs1)[N@H+](CCc1ccncc1)CC2 ZINC000024786760 819876761 /nfs/dbraw/zinc/87/67/61/819876761.db2.gz DZBHPDDGNSVINZ-JOCHJYFZSA-N 1 0 380.513 4.351 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)C[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000122928465 823435561 /nfs/dbraw/zinc/43/55/61/823435561.db2.gz ZHFYDCLKAVGOLR-GOSISDBHSA-N 1 0 389.540 4.114 20 0 GIADRO CCN(CCC[NH+]1CCCC1)C(=O)Nc1ccc(OC(F)F)c2ncccc12 ZINC000189518468 823435672 /nfs/dbraw/zinc/43/56/72/823435672.db2.gz NDARGTPCKBCITM-UHFFFAOYSA-N 1 0 392.450 4.176 20 0 GIADRO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)C1 ZINC000177330589 823435779 /nfs/dbraw/zinc/43/57/79/823435779.db2.gz HMYDPWFWARYNHQ-FQEVSTJZSA-N 1 0 386.540 4.153 20 0 GIADRO CSc1ccccc1NC(=O)CC[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000024896353 819890712 /nfs/dbraw/zinc/89/07/12/819890712.db2.gz ZZMNSSVHLUYIEP-JXMROGBWSA-N 1 0 395.572 4.068 20 0 GIADRO O[C@@H](COc1ccc(Oc2ccccc2)cc1)C[N@@H+]1CCCC2(CCOCC2)C1 ZINC000573030661 823436942 /nfs/dbraw/zinc/43/69/42/823436942.db2.gz OBJYVYBYYWDZEI-HXUWFJFHSA-N 1 0 397.515 4.111 20 0 GIADRO O[C@H](C[C@H]1CCCCC[N@@H+]1CCOCC(F)(F)C(F)F)c1cccs1 ZINC000189523340 823437215 /nfs/dbraw/zinc/43/72/15/823437215.db2.gz KWKUIZZWLUTJKK-ZIAGYGMSSA-N 1 0 383.451 4.333 20 0 GIADRO O=C(NCC[NH2+]Cc1ccc(-c2cccc(Cl)c2Cl)o1)c1ccco1 ZINC000025052617 819915701 /nfs/dbraw/zinc/91/57/01/819915701.db2.gz LECCSGKYPZNRJM-UHFFFAOYSA-N 1 0 379.243 4.366 20 0 GIADRO CCc1ccc(C[C@@H](Cc2ccc(Cl)cc2)[NH2+][C@@H]2CCN(C3CC3)C2)nc1 ZINC000573040743 823438258 /nfs/dbraw/zinc/43/82/58/823438258.db2.gz OEBUNSQDOHVOHF-FGZHOGPDSA-N 1 0 383.967 4.278 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1cc(Br)cn1C(C)C ZINC000177342960 823440612 /nfs/dbraw/zinc/44/06/12/823440612.db2.gz NVNIYYWXKOLALD-UHFFFAOYSA-N 1 0 378.314 4.454 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3cccc(C(F)(F)F)c3)c(C)c2)CC1 ZINC000025184998 819940794 /nfs/dbraw/zinc/94/07/94/819940794.db2.gz NAMWTNAGXBRKKW-UHFFFAOYSA-N 1 0 391.437 4.408 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 ZINC000177345550 823440788 /nfs/dbraw/zinc/44/07/88/823440788.db2.gz DTQSYIBACSVINU-UHFFFAOYSA-N 1 0 391.471 4.463 20 0 GIADRO C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]Cc1ccc2cnn(C)c2c1 ZINC000573054330 823441142 /nfs/dbraw/zinc/44/11/42/823441142.db2.gz QIGLRNSRYDZBQV-ZDUSSCGKSA-N 1 0 390.409 4.099 20 0 GIADRO CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccc2nc(C)ccc2c1 ZINC000189547669 823441692 /nfs/dbraw/zinc/44/16/92/823441692.db2.gz GCDGFNJKJDXAPR-UHFFFAOYSA-N 1 0 377.488 4.403 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000025330861 819964109 /nfs/dbraw/zinc/96/41/09/819964109.db2.gz PMLRVNVAMHREAW-MRXNPFEDSA-N 1 0 389.521 4.352 20 0 GIADRO COc1cc(OC)cc([C@@H](O)C[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)c1 ZINC000177350268 823442458 /nfs/dbraw/zinc/44/24/58/823442458.db2.gz RREWJJXLBGEEJV-XZOQPEGZSA-N 1 0 381.447 4.256 20 0 GIADRO COc1ccc2cc(C(=O)NC[C@H](c3cccs3)[NH+]3CCCC3)c(C)nc2c1 ZINC000025383667 819973730 /nfs/dbraw/zinc/97/37/30/819973730.db2.gz SWVLBLXLGOKWCL-HXUWFJFHSA-N 1 0 395.528 4.180 20 0 GIADRO Cc1cccn2c(=O)cc(C[N@H+]3Cc4ccccc4[C@H](c4ccccc4)C3)nc12 ZINC000025402322 819976171 /nfs/dbraw/zinc/97/61/71/819976171.db2.gz JLSFRNLGXOIXQG-QHCPKHFHSA-N 1 0 381.479 4.151 20 0 GIADRO CC(=O)Nc1ccc2c(C[N@@H+]3CCC[C@H]3c3ccc(F)cc3)cc(=O)oc2c1 ZINC000025443765 819981513 /nfs/dbraw/zinc/98/15/13/819981513.db2.gz PPJPMIQCLMUVJC-FQEVSTJZSA-N 1 0 380.419 4.228 20 0 GIADRO O=C(C[N@H+]1Cc2ccccc2[C@H](c2ccccc2)C1)N1CCc2sccc2C1 ZINC000025459886 819985223 /nfs/dbraw/zinc/98/52/23/819985223.db2.gz IATKCGPSEIXGAD-QFIPXVFZSA-N 1 0 388.536 4.281 20 0 GIADRO NC(=O)[C@H](NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000025501773 819991783 /nfs/dbraw/zinc/99/17/83/819991783.db2.gz WOIMCRXZMOOAKS-RUZDIDTESA-N 1 0 399.538 4.266 20 0 GIADRO C[C@@H](CNC(=O)c1ccc(C2SCCS2)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000025632645 820008525 /nfs/dbraw/zinc/00/85/25/820008525.db2.gz CYKZUMWOHBQLMV-INIZCTEOSA-N 1 0 398.597 4.342 20 0 GIADRO [NH3+]CCC1CCN(C(=O)N[C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000573096540 823446680 /nfs/dbraw/zinc/44/66/80/823446680.db2.gz AMUHDHGTFIJLKP-MSOLQXFVSA-N 1 0 383.458 4.112 20 0 GIADRO CCCn1nccc1C1CCN(C(=O)c2ccc(C[N@H+](CC)C3CC3)cc2)CC1 ZINC000410279187 823446114 /nfs/dbraw/zinc/44/61/14/823446114.db2.gz NWMDQVOBLWYTRD-UHFFFAOYSA-N 1 0 394.563 4.297 20 0 GIADRO COc1ccc(-n2c(C)cc(C(=O)NC[C@H](c3ccsc3)[NH+](C)C)c2C)cc1 ZINC000025813881 820028147 /nfs/dbraw/zinc/02/81/47/820028147.db2.gz JTNVSHYAQQEGGM-OAQYLSRUSA-N 1 0 397.544 4.197 20 0 GIADRO c1cnc2c(c1)cccc2CN1CCC[N@H+](Cc2cccc3cccnc32)CC1 ZINC000025817497 820028399 /nfs/dbraw/zinc/02/83/99/820028399.db2.gz XOBKZJWDIRTXBB-UHFFFAOYSA-N 1 0 382.511 4.491 20 0 GIADRO O[C@H](C[NH2+]Cc1ccc(Br)s1)CO[C@@H]1CCCc2ccccc21 ZINC000573100286 823447468 /nfs/dbraw/zinc/44/74/68/823447468.db2.gz VDCVUUAMHFPZSL-RHSMWYFYSA-N 1 0 396.350 4.055 20 0 GIADRO CC(C)Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000460592095 823447824 /nfs/dbraw/zinc/44/78/24/823447824.db2.gz QZSHWMMPNUCFBB-LJQANCHMSA-N 1 0 387.597 4.041 20 0 GIADRO Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000177397202 823453242 /nfs/dbraw/zinc/45/32/42/823453242.db2.gz ATTCLGDTNPUFAL-FPOVZHCZSA-N 1 0 384.568 4.466 20 0 GIADRO O=C(/C(=C/c1ccc(F)cc1)c1cccs1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000025965350 820044826 /nfs/dbraw/zinc/04/48/26/820044826.db2.gz MWSLNKQBAPQIJL-CAPFRKAQSA-N 1 0 393.487 4.172 20 0 GIADRO C[NH+](C)C1(CNC(=O)c2ccccc2NC(=O)c2ccccc2)CCCCCC1 ZINC000025968698 820044983 /nfs/dbraw/zinc/04/49/83/820044983.db2.gz ZKGUIUCQJBTXRI-UHFFFAOYSA-N 1 0 393.531 4.323 20 0 GIADRO Cc1cccn2c(C[NH2+]Cc3ccc4c(c3)CN(C(=O)OC(C)(C)C)C4)cnc12 ZINC000189576826 823449089 /nfs/dbraw/zinc/44/90/89/823449089.db2.gz XVNSAVGDKFPJTE-UHFFFAOYSA-N 1 0 392.503 4.183 20 0 GIADRO CN(Cc1cccs1)C(=O)C[N@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000026100330 820057467 /nfs/dbraw/zinc/05/74/67/820057467.db2.gz LQTAZXZFYITZBV-JOCHJYFZSA-N 1 0 376.525 4.354 20 0 GIADRO CN(Cc1ccc(Cl)cc1)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000026164392 820065321 /nfs/dbraw/zinc/06/53/21/820065321.db2.gz GVDPAXCCJIHAMD-UHFFFAOYSA-N 1 0 385.939 4.318 20 0 GIADRO C[NH+]1CCC(Nc2nc(-c3cccnc3)nc3sc4c(c32)CCCC4)CC1 ZINC000026227025 820071900 /nfs/dbraw/zinc/07/19/00/820071900.db2.gz FVCSYTOULADGOO-UHFFFAOYSA-N 1 0 379.533 4.138 20 0 GIADRO COc1cccc([C@@H](C)[NH2+]CCC(=O)Nc2cc(C)c(Cl)cc2OC)c1 ZINC000177398785 823453502 /nfs/dbraw/zinc/45/35/02/823453502.db2.gz LNUQXHYKUZRIEK-CQSZACIVSA-N 1 0 376.884 4.345 20 0 GIADRO CCn1nc(C)c(C[NH2+]Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)c1C ZINC000189580311 823450633 /nfs/dbraw/zinc/45/06/33/823450633.db2.gz QKYULSPVHUHKFG-UHFFFAOYSA-N 1 0 384.524 4.060 20 0 GIADRO Cc1ccccc1NC(=O)[C@H](C)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000026297922 820079160 /nfs/dbraw/zinc/07/91/60/820079160.db2.gz XERLIPGOBZZDEC-FQEVSTJZSA-N 1 0 387.527 4.293 20 0 GIADRO COc1ccc2cc(C[N@H+](C)[C@@H](C)C(=O)Nc3ccc4c(c3)OCO4)ccc2c1 ZINC000026301266 820079451 /nfs/dbraw/zinc/07/94/51/820079451.db2.gz JUFQQWNSKQOWSM-HNNXBMFYSA-N 1 0 392.455 4.036 20 0 GIADRO CC(=O)Oc1ccc(C[N@@H+]2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1 ZINC000123035289 823451097 /nfs/dbraw/zinc/45/10/97/823451097.db2.gz MMDIDPKEJSIBBJ-SFHVURJKSA-N 1 0 395.434 4.181 20 0 GIADRO Fc1ccc([C@H](C[NH2+]Cc2ccc(-c3ccccc3F)o2)N2CCOCC2)cc1 ZINC000026305521 820080157 /nfs/dbraw/zinc/08/01/57/820080157.db2.gz BJFUTBVFZWSPCU-QFIPXVFZSA-N 1 0 398.453 4.388 20 0 GIADRO Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000026305910 820080205 /nfs/dbraw/zinc/08/02/05/820080205.db2.gz ZUHBHFGSAXPQTL-UHFFFAOYSA-N 1 0 397.906 4.263 20 0 GIADRO Cc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]CC(C)(C)N(C)C)cc1 ZINC000026310819 820081485 /nfs/dbraw/zinc/08/14/85/820081485.db2.gz RECFJBHSRDXIKX-UHFFFAOYSA-N 1 0 376.548 4.337 20 0 GIADRO O=C(Nc1cccc(C[NH2+]CCN2CCCC2)c1)c1ccc(Cl)cc1Cl ZINC000026317901 820081988 /nfs/dbraw/zinc/08/19/88/820081988.db2.gz XTVTYZFPVDLWEX-UHFFFAOYSA-N 1 0 392.330 4.431 20 0 GIADRO COc1ccc(C2(C(=O)NC[C@H](c3ccccc3)[NH+]3CCCC3)CCCC2)cc1 ZINC000058784144 823451367 /nfs/dbraw/zinc/45/13/67/823451367.db2.gz WCYQXCFXTDUQFL-HSZRJFAPSA-N 1 0 392.543 4.460 20 0 GIADRO O=C(c1cc(Cl)nc2ccccc21)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000026356654 820088197 /nfs/dbraw/zinc/08/81/97/820088197.db2.gz HQIVIAZXTWZSRC-UHFFFAOYSA-N 1 0 379.891 4.236 20 0 GIADRO C[C@@H](N[C@@H](C)c1ccccc1Cl)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000026364691 820089524 /nfs/dbraw/zinc/08/95/24/820089524.db2.gz OOVZTRTWZNJHFF-ZWKOTPCHSA-N 1 0 399.966 4.160 20 0 GIADRO COc1ccc(C2(C(=O)NCc3ccccc3C[NH+]3CCCC3)CCCC2)cc1 ZINC000058788682 823451980 /nfs/dbraw/zinc/45/19/80/823451980.db2.gz ILISMKUPSISXFX-UHFFFAOYSA-N 1 0 392.543 4.419 20 0 GIADRO COc1ccc(C[NH2+]C[C@H](O)c2ccc(Cl)cc2)cc1OCc1cccnc1 ZINC000058792127 823452757 /nfs/dbraw/zinc/45/27/57/823452757.db2.gz IJCIOQFAFSHAEN-FQEVSTJZSA-N 1 0 398.890 4.146 20 0 GIADRO Cc1noc(C)c1CO[C@@H]1CC[N@H+](Cc2ccccc2OCC(F)(F)F)C1 ZINC000573140101 823453921 /nfs/dbraw/zinc/45/39/21/823453921.db2.gz AHAKOBSAFYJNDZ-MRXNPFEDSA-N 1 0 384.398 4.024 20 0 GIADRO O=C(Cc1ccccc1)N1CCC[C@@H]([NH2+]C2CC(c3cc(F)cc(F)c3)C2)C1 ZINC000573140186 823453954 /nfs/dbraw/zinc/45/39/54/823453954.db2.gz DOCKSBXJCQXDGT-NFOQDIRWSA-N 1 0 384.470 4.034 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CCCc1c[nH]c2ccccc12 ZINC000026566907 820115213 /nfs/dbraw/zinc/11/52/13/820115213.db2.gz VQOYHMJXSBMFST-UHFFFAOYSA-N 1 0 390.531 4.190 20 0 GIADRO CC(C)C[C@H](C)C[NH+]1CCN(CCCc2nc(-c3cccs3)no2)CC1 ZINC000410296670 823454453 /nfs/dbraw/zinc/45/44/53/823454453.db2.gz CYOGVGCHZPOAKG-KRWDZBQOSA-N 1 0 376.570 4.031 20 0 GIADRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)N1CCC[C@H]1Cc1ccccc1 ZINC000410310630 823459306 /nfs/dbraw/zinc/45/93/06/823459306.db2.gz MTPMUZXOMSPKDX-DEOSSOPVSA-N 1 0 391.559 4.110 20 0 GIADRO CCOc1cccc(C[NH2+]C[C@]2(O)CCC[C@@H](C(F)(F)F)C2)c1OC(F)F ZINC000189597991 823454941 /nfs/dbraw/zinc/45/49/41/823454941.db2.gz WPOBIMOBBRMUGN-DYVFJYSZSA-N 1 0 397.384 4.260 20 0 GIADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)Cc1csc(-c2ccc(Cl)s2)n1 ZINC000573145977 823455284 /nfs/dbraw/zinc/45/52/84/823455284.db2.gz DBDQRBVIRHOHJR-GFCCVEGCSA-N 1 0 385.986 4.304 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc3ccccc3c2)c1 ZINC000026807389 820147099 /nfs/dbraw/zinc/14/70/99/820147099.db2.gz QLNGAFBWWRGNDV-MRXNPFEDSA-N 1 0 375.472 4.257 20 0 GIADRO COC(=O)[C@@H](C)[C@@H]([NH2+]Cc1cc(=O)oc2cc(C)c(C)cc12)c1ccccc1 ZINC000177412624 823456360 /nfs/dbraw/zinc/45/63/60/823456360.db2.gz YNBRJIAJDRBVIK-KSFYIVLOSA-N 1 0 379.456 4.050 20 0 GIADRO COCc1ccccc1NC(=O)NC[C@H](c1ccc(CC(C)C)cc1)[NH+](C)C ZINC000573156091 823456630 /nfs/dbraw/zinc/45/66/30/823456630.db2.gz UUFIUKIPRJCTRK-JOCHJYFZSA-N 1 0 383.536 4.456 20 0 GIADRO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000573158061 823457013 /nfs/dbraw/zinc/45/70/13/823457013.db2.gz JLTFIYGRQOWCMK-GCKMJXCFSA-N 1 0 387.474 4.330 20 0 GIADRO c1coc(-c2nc(CN3CC[NH+](Cc4cccc5cccnc54)CC3)cs2)c1 ZINC000026919404 820164231 /nfs/dbraw/zinc/16/42/31/820164231.db2.gz DJJDVLIDWWZXPN-UHFFFAOYSA-N 1 0 390.512 4.269 20 0 GIADRO Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]CC1(N2CCCCC2)CCOCC1 ZINC000573162665 823457676 /nfs/dbraw/zinc/45/76/76/823457676.db2.gz MMFNCXDFDLHEDO-JOCHJYFZSA-N 1 0 381.564 4.478 20 0 GIADRO CSc1ccccc1C(=O)NCCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000026954784 820169011 /nfs/dbraw/zinc/16/90/11/820169011.db2.gz UYFZBAAOTNIWCA-UHFFFAOYSA-N 1 0 397.588 4.049 20 0 GIADRO COCCOc1ccc([C@@H](C)[NH2+]C[C@H]2CC[C@H](c3ccccc3)O2)cc1OC ZINC000573162949 823457985 /nfs/dbraw/zinc/45/79/85/823457985.db2.gz YCFHERYRNWIPEG-DUXKGJEZSA-N 1 0 385.504 4.291 20 0 GIADRO COC(=O)[C@@H](C)[C@@H]([NH2+]Cc1ccc(OCC(F)(F)F)cc1)c1ccccc1 ZINC000177418963 823458252 /nfs/dbraw/zinc/45/82/52/823458252.db2.gz NWIDTEHOECDUHG-KBXCAEBGSA-N 1 0 381.394 4.268 20 0 GIADRO O[C@@]1(C[NH2+]Cc2ccc(Br)c(F)c2)CCC[C@@H](C(F)(F)F)C1 ZINC000189613880 823458658 /nfs/dbraw/zinc/45/86/58/823458658.db2.gz JXXYBMHRJGIPIN-RISCZKNCSA-N 1 0 384.211 4.161 20 0 GIADRO O=C(NC1CC[NH+](C2CCCC2)CC1)[C@@H](Oc1ccccc1)c1ccccc1 ZINC000177421569 823458946 /nfs/dbraw/zinc/45/89/46/823458946.db2.gz KZVSXHOOKWKADI-QHCPKHFHSA-N 1 0 378.516 4.330 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)c2occc2Br)CC[N@@H+]1Cc1ccccc1 ZINC000177423062 823459215 /nfs/dbraw/zinc/45/92/15/823459215.db2.gz YOOZKBYNHJENTC-GOEBONIOSA-N 1 0 391.309 4.167 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH2+]CC2(c3ccccc3)CCCCC2)c1 ZINC000027050879 820185779 /nfs/dbraw/zinc/18/57/79/820185779.db2.gz SURRUDCYUVCFJH-SFHVURJKSA-N 1 0 393.531 4.464 20 0 GIADRO CCCc1cc[n+](C(C(=O)c2cc3ccccc3o2)C(=S)NC2CC2)cc1 ZINC000027061908 820187527 /nfs/dbraw/zinc/18/75/27/820187527.db2.gz ZRMYHYHXFHVDLM-UHFFFAOYSA-O 1 0 379.505 4.364 20 0 GIADRO O=C(CN1CC[NH+](C2CCCC2)CC1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000027117989 820195835 /nfs/dbraw/zinc/19/58/35/820195835.db2.gz LTGXOHQFNSBUAX-UHFFFAOYSA-N 1 0 390.742 4.146 20 0 GIADRO COc1cc(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)cc2c1O[C@@H](C)C2 ZINC000027141338 820200621 /nfs/dbraw/zinc/20/06/21/820200621.db2.gz CXKPNIDMGMECEA-INIZCTEOSA-N 1 0 380.488 4.257 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)c2cc3ccc(OC)cc3nc2C)cc1 ZINC000027143639 820201258 /nfs/dbraw/zinc/20/12/58/820201258.db2.gz BDISZDZDYHRBNA-UHFFFAOYSA-N 1 0 391.515 4.324 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)CCc1cc(Br)ccc1F)c1cccs1 ZINC000123093473 823461111 /nfs/dbraw/zinc/46/11/11/823461111.db2.gz HHWRMVAPOQQKQK-OAHLLOKOSA-N 1 0 399.329 4.001 20 0 GIADRO CC1CN(C[C@@H]2CCC3(CCCC3)O2)CC[N@H+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000573177301 823461198 /nfs/dbraw/zinc/46/11/98/823461198.db2.gz OZCKLRSPGIJMFR-VXKWHMMOSA-N 1 0 390.612 4.224 20 0 GIADRO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)CCCCCOc1ccccc1 ZINC000189623474 823461234 /nfs/dbraw/zinc/46/12/34/823461234.db2.gz YKNNLLDWIIDSKH-GOSISDBHSA-N 1 0 375.534 4.332 20 0 GIADRO CC[C@H](NC(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)c1cccs1 ZINC000177435255 823461268 /nfs/dbraw/zinc/46/12/68/823461268.db2.gz OJRJKZACKSQIEL-LMMKCTJWSA-N 1 0 393.597 4.120 20 0 GIADRO Cc1cccc2oc(CC[NH2+][C@H](C(=O)NCc3ccccc3)c3ccccc3)nc21 ZINC000410317714 823461429 /nfs/dbraw/zinc/46/14/29/823461429.db2.gz DSRIKIPEVHWUFA-DEOSSOPVSA-N 1 0 399.494 4.326 20 0 GIADRO COc1ccc(C(=O)C(C(=S)NCc2ccccc2)[n+]2ccc(C)cc2)cc1 ZINC000027200303 820208990 /nfs/dbraw/zinc/20/89/90/820208990.db2.gz RIFBTEMZSMDDLV-UHFFFAOYSA-O 1 0 391.516 4.020 20 0 GIADRO COc1cccc([C@H](C[NH2+]Cc2ccccc2OCc2ccncc2)N(C)C)c1 ZINC000027217147 820210793 /nfs/dbraw/zinc/21/07/93/820210793.db2.gz WVGCTMKAEFGXDI-QHCPKHFHSA-N 1 0 391.515 4.062 20 0 GIADRO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000123097069 823461722 /nfs/dbraw/zinc/46/17/22/823461722.db2.gz OHHRHXCAIVABQP-NRFANRHFSA-N 1 0 387.886 4.164 20 0 GIADRO Cc1cc(NC(=O)NCc2ccc(C3CCC3)cc2)n(C2CC[NH+](C)CC2)n1 ZINC000573182876 823462045 /nfs/dbraw/zinc/46/20/45/823462045.db2.gz YUTUCOFIPSBKPN-UHFFFAOYSA-N 1 0 381.524 4.047 20 0 GIADRO CC[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1)N1CCc2ccccc2C1 ZINC000123098346 823462117 /nfs/dbraw/zinc/46/21/17/823462117.db2.gz BIXHKACOYLDXQH-AVRDEDQJSA-N 1 0 393.531 4.131 20 0 GIADRO COCc1c(C(=O)N(CCC[NH3+])CC2CCCC2)sc2cccc(F)c21 ZINC000573204804 823465100 /nfs/dbraw/zinc/46/51/00/823465100.db2.gz MYCLHEIXJBFBQS-UHFFFAOYSA-N 1 0 378.513 4.168 20 0 GIADRO COc1cccc([C@@H](CNC(=O)c2cccc(C(F)(F)F)c2)[NH+]2CCCC2)c1 ZINC000027340797 820227068 /nfs/dbraw/zinc/22/70/68/820227068.db2.gz AVYXSLOVZHUTPI-LJQANCHMSA-N 1 0 392.421 4.281 20 0 GIADRO COc1cccc([C@H](CNC(=O)CCc2c[nH]c3ccccc23)[NH+]2CCCC2)c1 ZINC000027340747 820227245 /nfs/dbraw/zinc/22/72/45/820227245.db2.gz XPPOPGQSIAVRKZ-QHCPKHFHSA-N 1 0 391.515 4.062 20 0 GIADRO COc1cccc([C@@H](CNC(=O)c2ccc(-n3cccc3)cc2)[NH+]2CCCC2)c1 ZINC000027341463 820227748 /nfs/dbraw/zinc/22/77/48/820227748.db2.gz OJBKLNXXNUFAGI-HSZRJFAPSA-N 1 0 389.499 4.053 20 0 GIADRO O[C@]1(C[NH2+]Cc2csc(-c3ccsc3)n2)CCC[C@@H](C(F)(F)F)C1 ZINC000189630533 823462808 /nfs/dbraw/zinc/46/28/08/823462808.db2.gz MBKBICRITRMSIV-IUODEOHRSA-N 1 0 376.469 4.445 20 0 GIADRO COc1cccc([C@H](CNC(=O)CCc2ccccc2Cl)[NH+]2CCCC2)c1 ZINC000027342730 820228295 /nfs/dbraw/zinc/22/82/95/820228295.db2.gz XTGOLBPAOQBLIT-NRFANRHFSA-N 1 0 386.923 4.235 20 0 GIADRO COc1ccccc1CCC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000027343794 820228491 /nfs/dbraw/zinc/22/84/91/820228491.db2.gz YMMYMGOVKBWUPB-HXUWFJFHSA-N 1 0 386.923 4.235 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)Nc1ccc2c(c1)CCC2)[NH+]1CCCC1 ZINC000058859142 823463017 /nfs/dbraw/zinc/46/30/17/823463017.db2.gz HCRDKQAXQIAZBF-OAQYLSRUSA-N 1 0 379.504 4.143 20 0 GIADRO C[C@H]([NH2+][C@H]1CCN(C(C)(C)C)C1=O)c1cc2cc(Br)ccc2o1 ZINC000573206026 823465158 /nfs/dbraw/zinc/46/51/58/823465158.db2.gz OJBUHVHGVBDQHI-FZMZJTMJSA-N 1 0 379.298 4.245 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1)c1ccc(F)cc1 ZINC000027446366 820245698 /nfs/dbraw/zinc/24/56/98/820245698.db2.gz ITPBJERPSXKIOC-UHFFFAOYSA-N 1 0 396.384 4.119 20 0 GIADRO CC(C)[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccccc1 ZINC000027451088 820246806 /nfs/dbraw/zinc/24/68/06/820246806.db2.gz VAMLQYMXZGIEQP-VGSWGCGISA-N 1 0 379.504 4.127 20 0 GIADRO COc1ccc(C(=O)C(C(=S)NC2CCCCC2)[n+]2ccc(C)cc2)cc1 ZINC000027460597 820247388 /nfs/dbraw/zinc/24/73/88/820247388.db2.gz UKZDPOZJOJSUFO-UHFFFAOYSA-O 1 0 383.537 4.152 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)Nc2cccc(OCCF)c2)CC1 ZINC000123115694 823464465 /nfs/dbraw/zinc/46/44/65/823464465.db2.gz VRFIAOSWGBNLAZ-KRWDZBQOSA-N 1 0 385.483 4.382 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)CCc1ccc(OC)cc1)c1ccccc1Cl ZINC000027578549 820262624 /nfs/dbraw/zinc/26/26/24/820262624.db2.gz WHONRLOOEQHUES-NRFANRHFSA-N 1 0 388.939 4.481 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)CCc1ccc(-c2ccccc2F)o1)Cc1ccccc1 ZINC000027586447 820263900 /nfs/dbraw/zinc/26/39/00/820263900.db2.gz LDLBVIFOAAFQCC-LJQANCHMSA-N 1 0 394.490 4.307 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1ccccc1COc1ccccc1)Cc1ccccc1 ZINC000027589484 820264617 /nfs/dbraw/zinc/26/46/17/820264617.db2.gz CBPXIWIUCZQXRD-JOCHJYFZSA-N 1 0 388.511 4.168 20 0 GIADRO O=C(Cc1csc(-c2ccccc2)n1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000027602985 820265804 /nfs/dbraw/zinc/26/58/04/820265804.db2.gz PXUFYCCLXHOZKI-SFHVURJKSA-N 1 0 397.569 4.367 20 0 GIADRO COc1cccc([C@@H](CNC(=O)Nc2ccccc2OC(F)(F)F)[NH+](C)C)c1 ZINC000058881832 823466076 /nfs/dbraw/zinc/46/60/76/823466076.db2.gz PLQZVTVEORJQFK-MRXNPFEDSA-N 1 0 397.397 4.018 20 0 GIADRO COc1ccc([C@@H](CNC(=O)CCCOc2ccccc2)[NH+]2CCCCC2)cc1 ZINC000027667592 820273135 /nfs/dbraw/zinc/27/31/35/820273135.db2.gz HYJJAYCZNPHECG-HSZRJFAPSA-N 1 0 396.531 4.198 20 0 GIADRO CC(=O)Nc1ccc(CN2CCC([NH2+]Cc3ccc(C)cc3Cl)CC2)cc1 ZINC000573212212 823466327 /nfs/dbraw/zinc/46/63/27/823466327.db2.gz ODXIYJYOWPQOTA-UHFFFAOYSA-N 1 0 385.939 4.361 20 0 GIADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2c3c(nc4ccccc42)CCC3)C1 ZINC000058884028 823466473 /nfs/dbraw/zinc/46/64/73/823466473.db2.gz CNRYZWUBGIYJCX-KSZLIROESA-N 1 0 377.532 4.201 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCc3sccc3C2)C1 ZINC000410354063 823471281 /nfs/dbraw/zinc/47/12/81/823471281.db2.gz PBIFVENGOXWRSN-KRWDZBQOSA-N 1 0 383.561 4.248 20 0 GIADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1ccccc1SCc1cscn1 ZINC000027762084 820283723 /nfs/dbraw/zinc/28/37/23/820283723.db2.gz IRQGNHUGCLYBFR-HNNXBMFYSA-N 1 0 375.563 4.040 20 0 GIADRO O=C(NCC(F)(F)F)C1CC[NH+](Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000027779323 820286283 /nfs/dbraw/zinc/28/62/83/820286283.db2.gz YMDYDOHDPXCJAS-UHFFFAOYSA-N 1 0 376.422 4.244 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCCOc2ccccc2F)cc1 ZINC000410339304 823467367 /nfs/dbraw/zinc/46/73/67/823467367.db2.gz XWCVHOWVTZIYNB-GOSISDBHSA-N 1 0 399.510 4.078 20 0 GIADRO COc1ccc([C@H](NC(=O)C[N@H+](C)[C@@H]2CCCc3ccccc32)C2CC2)cc1 ZINC000027906717 820295283 /nfs/dbraw/zinc/29/52/83/820295283.db2.gz FWKNTQHVSVYGNV-ISKFKSNPSA-N 1 0 378.516 4.272 20 0 GIADRO Cc1[nH]c2ccc(C(=O)NC3CC[NH+](CCc4ccccc4)CC3)cc2c1C ZINC000027927618 820297613 /nfs/dbraw/zinc/29/76/13/820297613.db2.gz QHRJXRHUYZISHO-UHFFFAOYSA-N 1 0 375.516 4.222 20 0 GIADRO Fc1cccc(Cc2nc(-c3nc(CC45CCC[NH+]4CCC5)no3)cs2)c1 ZINC000573227927 823468053 /nfs/dbraw/zinc/46/80/53/823468053.db2.gz HUEIUYYRRYFKJZ-UHFFFAOYSA-N 1 0 384.480 4.094 20 0 GIADRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)c1cc2c(s1)CCCCC2 ZINC000027930094 820298098 /nfs/dbraw/zinc/29/80/98/820298098.db2.gz OFQNXHBYNTZWTK-UHFFFAOYSA-N 1 0 382.573 4.454 20 0 GIADRO O=C(Cc1ccc(Cl)c(Cl)c1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000027939024 820299258 /nfs/dbraw/zinc/29/92/58/820299258.db2.gz ZTXJNMCCYXGAMP-UHFFFAOYSA-N 1 0 391.342 4.359 20 0 GIADRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)C1(c2ccccc2F)CCCC1 ZINC000027936417 820299305 /nfs/dbraw/zinc/29/93/05/820299305.db2.gz RPWOKPDQKHQZDH-UHFFFAOYSA-N 1 0 394.534 4.461 20 0 GIADRO Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000027952136 820300362 /nfs/dbraw/zinc/30/03/62/820300362.db2.gz UWAQBKXDVVYSEL-DLBZAZTESA-N 1 0 399.922 4.326 20 0 GIADRO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(-n3cccc3)cc2)CC1 ZINC000028007229 820303943 /nfs/dbraw/zinc/30/39/43/820303943.db2.gz XTKZGHKJVPWPLO-UHFFFAOYSA-N 1 0 394.906 4.135 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000410345566 823468774 /nfs/dbraw/zinc/46/87/74/823468774.db2.gz QWMRFLXTJDYLMO-KRWDZBQOSA-N 1 0 395.503 4.154 20 0 GIADRO CO[C@H](CNC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)c1ccccc1 ZINC000410346678 823469189 /nfs/dbraw/zinc/46/91/89/823469189.db2.gz KECXZKOGLYWYIM-AUSIDOKSSA-N 1 0 395.547 4.248 20 0 GIADRO Cc1cc(NC(=O)C2CC[NH+](CCOc3ccc(Cl)cc3Cl)CC2)no1 ZINC000028142126 820313388 /nfs/dbraw/zinc/31/33/88/820313388.db2.gz USLRAVHCXFUNHL-UHFFFAOYSA-N 1 0 398.290 4.019 20 0 GIADRO CCOc1ccccc1OCCCC(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000028165733 820314951 /nfs/dbraw/zinc/31/49/51/820314951.db2.gz KTUDXXUOBMMFMM-UHFFFAOYSA-N 1 0 382.504 4.479 20 0 GIADRO O=C(COc1cc(Cl)c(Cl)cc1Cl)N1CCC([NH+]2CCCC2)CC1 ZINC000058909491 823469289 /nfs/dbraw/zinc/46/92/89/823469289.db2.gz NVCZOEWMYIVZLU-UHFFFAOYSA-N 1 0 391.726 4.112 20 0 GIADRO CC1CC[NH+](Cc2ccccc2CNC(=O)N2CCn3cccc3[C@H]2C)CC1 ZINC000410346819 823469449 /nfs/dbraw/zinc/46/94/49/823469449.db2.gz LCIMHCGFBITNJP-LJQANCHMSA-N 1 0 380.536 4.006 20 0 GIADRO Fc1cc(CN2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)c2c(c1)COCO2 ZINC000028264393 820321426 /nfs/dbraw/zinc/32/14/26/820321426.db2.gz YGJSBUATRCNBLY-UHFFFAOYSA-N 1 0 390.886 4.054 20 0 GIADRO O=C(N[C@H](C[NH+]1CCCCC1)c1ccccc1)c1ccc(Br)s1 ZINC000028317164 820324029 /nfs/dbraw/zinc/32/40/29/820324029.db2.gz WINWNGRGGPIJPZ-OAHLLOKOSA-N 1 0 393.350 4.468 20 0 GIADRO Cn1cc(C[NH2+]CCSc2ccccc2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000028313313 820324312 /nfs/dbraw/zinc/32/43/12/820324312.db2.gz WGZOHDARCGORIP-UHFFFAOYSA-N 1 0 395.528 4.130 20 0 GIADRO COc1cc(C[NH2+][C@H](CC(C)C)c2ccccc2)cc(Cl)c1OCC(N)=O ZINC000028322747 820324652 /nfs/dbraw/zinc/32/46/52/820324652.db2.gz PCJOPZHRICQLQX-GOSISDBHSA-N 1 0 390.911 4.090 20 0 GIADRO CCc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1 ZINC000028347128 820326989 /nfs/dbraw/zinc/32/69/89/820326989.db2.gz YXTCPZMFWFVCFX-HZPDHXFCSA-N 1 0 379.504 4.275 20 0 GIADRO COc1ccc(NC(=O)[C@H]([NH2+]CCOc2ccc(F)cc2)c2ccccc2)cc1 ZINC000028388837 820331467 /nfs/dbraw/zinc/33/14/67/820331467.db2.gz FBESVTXUJZIJAU-JOCHJYFZSA-N 1 0 394.446 4.183 20 0 GIADRO CC[C@H](CNC(=O)N(C)Cc1ccccc1Cl)[N@@H+]1CCc2ccccc2C1 ZINC000028391748 820332017 /nfs/dbraw/zinc/33/20/17/820332017.db2.gz MZQBJOOCGDBDHI-HXUWFJFHSA-N 1 0 385.939 4.318 20 0 GIADRO C[C@@H](NC(=O)NCc1cccc(C[NH+](C)C)c1)c1ccc(C(F)(F)F)cc1 ZINC000028399563 820332997 /nfs/dbraw/zinc/33/29/97/820332997.db2.gz PNYXGGRBJSBANK-CQSZACIVSA-N 1 0 379.426 4.327 20 0 GIADRO C[C@H](Cc1ccco1)NC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000028418308 820334897 /nfs/dbraw/zinc/33/48/97/820334897.db2.gz QFNBVFORYOUDTO-GOSISDBHSA-N 1 0 391.515 4.439 20 0 GIADRO O=C(c1csc(-c2ccc(Cl)s2)n1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000573254260 823470964 /nfs/dbraw/zinc/47/09/64/823470964.db2.gz WUCVDSUUTKSKPQ-WCQYABFASA-N 1 0 381.954 4.129 20 0 GIADRO C[C@H]1C[C@@H](NC(=O)c2cc(F)cc3[nH]c(=S)[nH]c32)CC[N@@H+]1Cc1ccccc1 ZINC000177474122 823470963 /nfs/dbraw/zinc/47/09/63/823470963.db2.gz ONOBDGLPAOHBPD-BBRMVZONSA-N 1 0 398.507 4.147 20 0 GIADRO O=C(c1cccc(C[NH+]2CCC(OCC3CCCC3)CC2)c1)N1CCCCC1 ZINC000177499242 823477125 /nfs/dbraw/zinc/47/71/25/823477125.db2.gz LRCCDGFSKXFKAS-UHFFFAOYSA-N 1 0 384.564 4.484 20 0 GIADRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000573258567 823471860 /nfs/dbraw/zinc/47/18/60/823471860.db2.gz IMWFYDWHSWJNAQ-WLKXKRCBSA-N 1 0 380.488 4.209 20 0 GIADRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCc1ccc(-c2nc3ccccc3s2)o1 ZINC000573260741 823472461 /nfs/dbraw/zinc/47/24/61/823472461.db2.gz JCDCFAXQDNLZNB-CQSZACIVSA-N 1 0 386.521 4.084 20 0 GIADRO C[C@H]1CN(C(=O)NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c2ccccc21 ZINC000410356656 823472499 /nfs/dbraw/zinc/47/24/99/823472499.db2.gz XZOHOVNGOHVOAU-GBESFXJTSA-N 1 0 393.531 4.129 20 0 GIADRO C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000058935739 823472731 /nfs/dbraw/zinc/47/27/31/823472731.db2.gz IUYLOWZXJRPQJF-CQSZACIVSA-N 1 0 385.335 4.238 20 0 GIADRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)N(C)[C@@H]3CCCC[C@H]3C)cc2)C[C@H](C)O1 ZINC000410356959 823472873 /nfs/dbraw/zinc/47/28/73/823472873.db2.gz YAEXZMUHTOHTKM-NXWNEQKCSA-N 1 0 387.568 4.016 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000410356958 823472888 /nfs/dbraw/zinc/47/28/88/823472888.db2.gz YVVFTEMIGPUUCF-KRWDZBQOSA-N 1 0 395.503 4.011 20 0 GIADRO Cc1ccccc1N1CC[NH+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000028879737 820366290 /nfs/dbraw/zinc/36/62/90/820366290.db2.gz VXMGXVCQCOQBRG-UHFFFAOYSA-N 1 0 392.330 4.453 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc(Br)cc1)C(=O)Nc1cc(F)ccc1F ZINC000028893783 820368804 /nfs/dbraw/zinc/36/88/04/820368804.db2.gz MXCPWELGYOFALJ-GHMZBOCLSA-N 1 0 383.236 4.405 20 0 GIADRO C[C@@H](NCc1ccccc1C[NH+]1CCCCC1)C(=O)Nc1ccc(F)cc1F ZINC000028899366 820369967 /nfs/dbraw/zinc/36/99/67/820369967.db2.gz AQSIAWZGSSSNPG-MRXNPFEDSA-N 1 0 387.474 4.068 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)c1 ZINC000028918157 820372852 /nfs/dbraw/zinc/37/28/52/820372852.db2.gz GCQNWYWBWLWKPS-VFCRVFHLSA-N 1 0 390.911 4.088 20 0 GIADRO CCCCN(CCCC)C(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000410369077 823477382 /nfs/dbraw/zinc/47/73/82/823477382.db2.gz OCSHXZHMJKNLMX-PMACEKPBSA-N 1 0 389.584 4.408 20 0 GIADRO COc1cc(NC(=O)C[NH2+][C@H](C)c2ccc(Cl)cc2)c(OC)cc1Cl ZINC000028966318 820378146 /nfs/dbraw/zinc/37/81/46/820378146.db2.gz OKHWYXQMABZWIE-LLVKDONJSA-N 1 0 383.275 4.300 20 0 GIADRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)CCC(=O)c2ccc3c(c2)CCCC3)C1 ZINC000058971808 823477431 /nfs/dbraw/zinc/47/74/31/823477431.db2.gz FXJIBPGWHLZEMG-PMACEKPBSA-N 1 0 398.591 4.403 20 0 GIADRO CC(C)(C)c1csc(CNC(=O)NC2CC[NH+](C3CCCCC3)CC2)n1 ZINC000177490784 823474697 /nfs/dbraw/zinc/47/46/97/823474697.db2.gz JXPXOOGZWCNZDZ-UHFFFAOYSA-N 1 0 378.586 4.037 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCC[C@@H]1c1cccn1C ZINC000410362277 823474881 /nfs/dbraw/zinc/47/48/81/823474881.db2.gz UWRDCYQHPJTJTD-WMZHIEFXSA-N 1 0 394.563 4.446 20 0 GIADRO COC(=O)/C=C/c1ccc(NC[C@H](c2ccco2)[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000029069335 820389164 /nfs/dbraw/zinc/38/91/64/820389164.db2.gz KAVRWTCLSVMMOV-LHUXKHBRSA-N 1 0 399.447 4.013 20 0 GIADRO C[C@@H]1C[NH+](CCCNC(=O)c2ccccc2Sc2ccccc2)C[C@@H](C)O1 ZINC000460676319 823475466 /nfs/dbraw/zinc/47/54/66/823475466.db2.gz IFQFMHRLRZKSIG-QZTJIDSGSA-N 1 0 384.545 4.067 20 0 GIADRO COc1cc(OC)c(NC(=O)C[NH2+][C@@H](c2ccccc2)C(C)C)cc1Cl ZINC000029117209 820395759 /nfs/dbraw/zinc/39/57/59/820395759.db2.gz IWNOKMLBHYMOOA-HXUWFJFHSA-N 1 0 376.884 4.283 20 0 GIADRO COc1ccc(SCCC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000029179086 820406910 /nfs/dbraw/zinc/40/69/10/820406910.db2.gz NZYRMCYIJYLRBY-OAQYLSRUSA-N 1 0 384.545 4.131 20 0 GIADRO O=C(Cc1ccc(C(F)(F)F)cc1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000029179015 820407073 /nfs/dbraw/zinc/40/70/73/820407073.db2.gz RUWUOERINQJLER-IBGZPJMESA-N 1 0 376.422 4.201 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1cc(F)c(F)cc1OC ZINC000573292290 823477074 /nfs/dbraw/zinc/47/70/74/823477074.db2.gz XKKWSZFTIODATC-UHFFFAOYSA-N 1 0 377.435 4.137 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCC[C@H]2c2cccn2C)C1 ZINC000410370006 823477677 /nfs/dbraw/zinc/47/76/77/823477677.db2.gz ZLMXIHIAJMJXJT-XXBNENTESA-N 1 0 394.563 4.304 20 0 GIADRO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000573258566 823471828 /nfs/dbraw/zinc/47/18/28/823471828.db2.gz IMWFYDWHSWJNAQ-IAECCPNBSA-N 1 0 380.488 4.209 20 0 GIADRO CC[NH+](CC)CCOc1ccc(NC(=O)c2ccc(NC(=O)C(C)C)cc2)cc1 ZINC000029290740 820429705 /nfs/dbraw/zinc/42/97/05/820429705.db2.gz HUJPMURPAIQYTH-UHFFFAOYSA-N 1 0 397.519 4.254 20 0 GIADRO COCCn1c(C)c(C)n(C[N@@H+]2CCC[C@@H]2c2ccc(OC)cc2)c1=S ZINC000123209173 823479278 /nfs/dbraw/zinc/47/92/78/823479278.db2.gz LSTKCXQALZFRON-LJQANCHMSA-N 1 0 375.538 4.086 20 0 GIADRO C[C@@H](C1CC1)n1cc(NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cn1 ZINC000189703920 823479427 /nfs/dbraw/zinc/47/94/27/823479427.db2.gz DRXRLMKXTCWBRC-KRWDZBQOSA-N 1 0 381.524 4.162 20 0 GIADRO Cc1ccc(C(=O)Nc2ccc(C[NH+]3CCN(c4cccc(C)c4)CC3)cc2)o1 ZINC000029415949 820453403 /nfs/dbraw/zinc/45/34/03/820453403.db2.gz HASNKVMZRFKBID-UHFFFAOYSA-N 1 0 389.499 4.471 20 0 GIADRO CCN(CCC[NH+]1CCCC1)C(=O)Nc1ccc(C)cc1-c1nc(C2CC2)no1 ZINC000189712247 823480419 /nfs/dbraw/zinc/48/04/19/823480419.db2.gz HSLZOIDLVYJDHX-UHFFFAOYSA-N 1 0 397.523 4.262 20 0 GIADRO CCSc1ccc(Cl)cc1C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000177516669 823480692 /nfs/dbraw/zinc/48/06/92/823480692.db2.gz MVPYDZYLFMYWDA-UHFFFAOYSA-N 1 0 384.973 4.071 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)c1 ZINC000460689392 823481141 /nfs/dbraw/zinc/48/11/41/823481141.db2.gz BIEBLQBGDHUMPC-MOPGFXCFSA-N 1 0 377.315 4.475 20 0 GIADRO COc1ccc([C@H](CNC(=O)c2cc3cc(C)ccc3[nH]2)[NH+]2CCCCC2)cc1 ZINC000029511765 820466219 /nfs/dbraw/zinc/46/62/19/820466219.db2.gz JPTNHZNTYLHABW-QHCPKHFHSA-N 1 0 391.515 4.442 20 0 GIADRO COc1ccc([C@H](CNC(=O)c2cc3c(cccc3F)[nH]2)[NH+]2CCCCC2)cc1 ZINC000029511731 820466460 /nfs/dbraw/zinc/46/64/60/820466460.db2.gz XKRUYQSJJAEJOM-QFIPXVFZSA-N 1 0 395.478 4.273 20 0 GIADRO O=C(C[N@H+]1C[C@@H]2CCCC[C@@H]2C1)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000177521406 823481246 /nfs/dbraw/zinc/48/12/46/823481246.db2.gz SOXOOGNOKJPMTL-IYBDPMFKSA-N 1 0 383.517 4.061 20 0 GIADRO Cc1ccc(C(=O)c2ccccc2C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000029572291 820477870 /nfs/dbraw/zinc/47/78/70/820477870.db2.gz XZQLPCOGCCMUBG-QHCPKHFHSA-N 1 0 386.495 4.259 20 0 GIADRO CCC[C@@H](NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)c1cccc(C(F)(F)F)c1 ZINC000573344715 823482243 /nfs/dbraw/zinc/48/22/43/823482243.db2.gz XWMUJBXKIMMYCG-IEBWSBKVSA-N 1 0 383.458 4.332 20 0 GIADRO COc1ccccc1CCNC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000410383123 823482330 /nfs/dbraw/zinc/48/23/30/823482330.db2.gz NLHHFRPRVSNNDY-IBGZPJMESA-N 1 0 395.547 4.112 20 0 GIADRO CN(C(=O)c1cc2c(ccc3ccccc23)[nH]1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000059009376 823482640 /nfs/dbraw/zinc/48/26/40/823482640.db2.gz OKVNPWWZLJDMQQ-UHFFFAOYSA-N 1 0 398.510 4.453 20 0 GIADRO CN(C(=O)c1cc(Cl)sc1Cl)C1CC[NH+](Cc2ccncc2)CC1 ZINC000059009567 823482760 /nfs/dbraw/zinc/48/27/60/823482760.db2.gz ZVQSHZMYFJAKAM-UHFFFAOYSA-N 1 0 384.332 4.187 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+][C@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)cc1 ZINC000029711577 820503884 /nfs/dbraw/zinc/50/38/84/820503884.db2.gz BKQJOSYCCZKWKE-DLBZAZTESA-N 1 0 383.492 4.090 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCn4cccc4[C@H]3C)cc2)C1 ZINC000410393259 823484971 /nfs/dbraw/zinc/48/49/71/823484971.db2.gz OXXIVANAUZDPDH-RTBURBONSA-N 1 0 380.536 4.006 20 0 GIADRO CCCOc1c(Cl)cc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1OC ZINC000029787335 820518550 /nfs/dbraw/zinc/51/85/50/820518550.db2.gz ZEGXALMQJBBMBZ-UHFFFAOYSA-N 1 0 382.932 4.176 20 0 GIADRO C[C@H](CNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1)c1ccccc1 ZINC000029825903 820525640 /nfs/dbraw/zinc/52/56/40/820525640.db2.gz GASBGKXLDPFQFL-WSTZPKSXSA-N 1 0 391.515 4.316 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)c3cn(C)c4ccc(F)cc34)C2)s1 ZINC000573378449 823486351 /nfs/dbraw/zinc/48/63/51/823486351.db2.gz IHINWNSLSXCHLM-MRXNPFEDSA-N 1 0 399.535 4.281 20 0 GIADRO C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029827484 820526983 /nfs/dbraw/zinc/52/69/83/820526983.db2.gz LXHRLKAGQJHERQ-NVXWUHKLSA-N 1 0 397.906 4.366 20 0 GIADRO C[NH+](C)Cc1ccnc(NC(=O)c2cc(C3CC3)nc3ccc(Cl)cc32)c1 ZINC000177542532 823486456 /nfs/dbraw/zinc/48/64/56/823486456.db2.gz BPUNHEMLHDBYTM-UHFFFAOYSA-N 1 0 380.879 4.475 20 0 GIADRO CC1(C)C[C@H](NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)c2ccccc21 ZINC000123256870 823486627 /nfs/dbraw/zinc/48/66/27/823486627.db2.gz MLHIHOGOPOYLSM-QHCPKHFHSA-N 1 0 392.543 4.043 20 0 GIADRO CC(C)NC(=O)c1ccccc1NC(=O)C[N@H+](Cc1ccccc1)[C@@H](C)C1CC1 ZINC000029844844 820531399 /nfs/dbraw/zinc/53/13/99/820531399.db2.gz HUYYTEKGMXDOAD-SFHVURJKSA-N 1 0 393.531 4.064 20 0 GIADRO COc1ccc(Cl)cc1N1CC[C@H]([NH2+]Cc2ncc(CSC)s2)C1 ZINC000573391182 823486990 /nfs/dbraw/zinc/48/69/90/823486990.db2.gz DYYRAMADBQGBIO-ZDUSSCGKSA-N 1 0 383.970 4.037 20 0 GIADRO CCN(CC)C(=O)[C@H]([NH2+][C@@H]1c2ccccc2CC12CCOCC2)c1ccccc1 ZINC000573409789 823489753 /nfs/dbraw/zinc/48/97/53/823489753.db2.gz RSFKSBQVKAVOEI-DHIUTWEWSA-N 1 0 392.543 4.280 20 0 GIADRO COc1ccccc1NC(=O)C1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000029904545 820544679 /nfs/dbraw/zinc/54/46/79/820544679.db2.gz RZSPTZUMJCGZAP-UHFFFAOYSA-N 1 0 388.895 4.078 20 0 GIADRO CC[C@H](CNC(=O)c1c(C)onc1-c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000029907991 820545484 /nfs/dbraw/zinc/54/54/84/820545484.db2.gz BCTIDIOVZSDEAW-OAQYLSRUSA-N 1 0 389.499 4.217 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@@H](O)c1ccc(OC(C)C)cc1)CC3 ZINC000123266286 823487834 /nfs/dbraw/zinc/48/78/34/823487834.db2.gz GKUGTZKSDQZRJL-BXKMTCNYSA-N 1 0 394.515 4.144 20 0 GIADRO O=S(=O)(/C=C/c1ccc(Cl)cc1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000030004449 820566687 /nfs/dbraw/zinc/56/66/87/820566687.db2.gz WNRLWOINAWDRHR-IZLCOFNUSA-N 1 0 390.936 4.067 20 0 GIADRO CCOC(=O)c1c(-c2ccco2)csc1NC(=O)C[N@H+](C)[C@H](C)C(C)C ZINC000030149133 820579198 /nfs/dbraw/zinc/57/91/98/820579198.db2.gz IAAINLOLXBATPP-CYBMUJFWSA-N 1 0 378.494 4.100 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)C2(c3cccc(Br)c3)CCCC2)CC[N@@H+]1C ZINC000123315221 823495293 /nfs/dbraw/zinc/49/52/93/823495293.db2.gz BJULKXJYIYDLTI-YJBOKZPZSA-N 1 0 393.369 4.202 20 0 GIADRO Cc1ccc(-c2nnc(CN3CCC[N@H+](Cc4ccccc4C)CC3)o2)cc1 ZINC000030154305 820580734 /nfs/dbraw/zinc/58/07/34/820580734.db2.gz BWQZYWSRSRMIJU-UHFFFAOYSA-N 1 0 376.504 4.061 20 0 GIADRO O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1csc(Br)c1 ZINC000030231866 820591136 /nfs/dbraw/zinc/59/11/36/820591136.db2.gz PWKWMGJSFVIBDF-HNNXBMFYSA-N 1 0 379.323 4.078 20 0 GIADRO C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1Cc1csc(-c2ccc(C(N)=O)cc2)n1 ZINC000177558467 823490438 /nfs/dbraw/zinc/49/04/38/823490438.db2.gz QVLXDYIWNGIXOZ-YWZLYKJASA-N 1 0 377.513 4.287 20 0 GIADRO COc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(OC(C)C)c(OC)c1 ZINC000030454950 820618714 /nfs/dbraw/zinc/61/87/14/820618714.db2.gz WBAHJSLRUQCSAO-CVEARBPZSA-N 1 0 386.492 4.169 20 0 GIADRO O=C(NCCc1csc(-c2ccccc2)n1)c1cccc(C[NH+]2CCCC2)c1 ZINC000177562569 823491785 /nfs/dbraw/zinc/49/17/85/823491785.db2.gz AYKADOLACDZWMW-UHFFFAOYSA-N 1 0 391.540 4.378 20 0 GIADRO CO[C@@H](C)c1nc(COc2ccc(OCC[NH+]3CCCCC3)cc2)cs1 ZINC000177564276 823492173 /nfs/dbraw/zinc/49/21/73/823492173.db2.gz IXNAEFVIZLINST-INIZCTEOSA-N 1 0 376.522 4.294 20 0 GIADRO COc1ccc([C@H](C)[NH2+]C[C@H](O)c2ccc(Cl)cc2)cc1Br ZINC000030537360 820635763 /nfs/dbraw/zinc/63/57/63/820635763.db2.gz GPYPESKMYQVDTB-ZBEGNZNMSA-N 1 0 384.701 4.495 20 0 GIADRO CCOc1ccc([C@@H]([NH2+]C[C@H](O)COc2ccccc2F)c2ccccc2)cc1 ZINC000030537156 820635907 /nfs/dbraw/zinc/63/59/07/820635907.db2.gz VHDHBJUERWSBBA-RDPSFJRHSA-N 1 0 395.474 4.343 20 0 GIADRO COc1ccc(C[NH2+]CCc2c[nH]c3ccccc23)cc1OCc1cccnc1 ZINC000030543915 820637136 /nfs/dbraw/zinc/63/71/36/820637136.db2.gz LUBXIBZIMKORJZ-UHFFFAOYSA-N 1 0 387.483 4.483 20 0 GIADRO Cc1cc(C)c(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)c(C)c1 ZINC000123298095 823492818 /nfs/dbraw/zinc/49/28/18/823492818.db2.gz PYSYIJFIDFYIRZ-WOJBJXKFSA-N 1 0 395.547 4.126 20 0 GIADRO C[NH+](C)[C@H](CNc1nn2cc(-c3ccc(F)cc3)nc2s1)c1ccc(F)cc1 ZINC000059394347 823495219 /nfs/dbraw/zinc/49/52/19/823495219.db2.gz KLSUVAJWYSDXDG-GOSISDBHSA-N 1 0 399.470 4.451 20 0 GIADRO Cc1ccc(NC(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)c(Br)c1 ZINC000059356529 823493026 /nfs/dbraw/zinc/49/30/26/823493026.db2.gz TUSQFRHLBBTYNK-QGZVFWFLSA-N 1 0 394.288 4.321 20 0 GIADRO C[NH+](C)C1(CNC(=O)c2cnn(-c3ccccc3)c2C2CC2)CCCCCC1 ZINC000030610172 820650310 /nfs/dbraw/zinc/65/03/10/820650310.db2.gz HGAANQZAOHMCRZ-UHFFFAOYSA-N 1 0 380.536 4.134 20 0 GIADRO c1cn(Cc2ccccc2C[NH2+]Cc2ccccc2OCc2ccncc2)cn1 ZINC000030651568 820658559 /nfs/dbraw/zinc/65/85/59/820658559.db2.gz QTPUFUSIJCBWPD-UHFFFAOYSA-N 1 0 384.483 4.195 20 0 GIADRO c1cn(Cc2ccccc2C[NH2+]Cc2ccc(OCc3ccncc3)cc2)cn1 ZINC000030651519 820658632 /nfs/dbraw/zinc/65/86/32/820658632.db2.gz DJRQTYYRMJRVLS-UHFFFAOYSA-N 1 0 384.483 4.195 20 0 GIADRO CC[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000123321857 823495826 /nfs/dbraw/zinc/49/58/26/823495826.db2.gz GQRVGDVLUYMONX-FCHUYYIVSA-N 1 0 379.504 4.242 20 0 GIADRO COc1ccc(C(=O)Nc2cccc(CNC[C@H](C(C)C)[NH+]3CCCC3)c2)cc1 ZINC000030666523 820661594 /nfs/dbraw/zinc/66/15/94/820661594.db2.gz SNSJOEZXDSRXJZ-HSZRJFAPSA-N 1 0 395.547 4.158 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2c[nH]c(=O)c3ccccc23)cc1 ZINC000189796453 823496185 /nfs/dbraw/zinc/49/61/85/823496185.db2.gz FGIXUYIHSLLLTL-MRXNPFEDSA-N 1 0 375.472 4.155 20 0 GIADRO Cc1ccc(C)c(-n2ccnc2SCC(=O)Nc2ccc(C[NH+](C)C)cc2)c1 ZINC000030773728 820681004 /nfs/dbraw/zinc/68/10/04/820681004.db2.gz GTCLKKVRCMNDNU-UHFFFAOYSA-N 1 0 394.544 4.282 20 0 GIADRO C[C@H](C(=O)Nc1cccc2ccccc21)[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000177589206 823497280 /nfs/dbraw/zinc/49/72/80/823497280.db2.gz HXEDCDNZMDSEKM-NQIIRXRSSA-N 1 0 396.531 4.217 20 0 GIADRO Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000030787372 820683093 /nfs/dbraw/zinc/68/30/93/820683093.db2.gz VVDCYPQDQWYJLV-UHFFFAOYSA-N 1 0 375.472 4.427 20 0 GIADRO CO[C@H]1CCC[C@H](C(=O)N(c2cccc(SC)c2)C2CC[NH+](C)CC2)C1 ZINC000410465162 823497467 /nfs/dbraw/zinc/49/74/67/823497467.db2.gz FKMQGBMHENEWBH-LPHOPBHVSA-N 1 0 376.566 4.041 20 0 GIADRO CSc1cccc(N(C(=O)c2cncc(Cl)c2)C2CC[NH+](C)CC2)c1 ZINC000410464394 823497565 /nfs/dbraw/zinc/49/75/65/823497565.db2.gz CIHBNZRPWSHIOX-UHFFFAOYSA-N 1 0 375.925 4.198 20 0 GIADRO Cc1ccc2cc(C[NH+]3CCC(C(=O)N4CCc5ccccc54)CC3)ccc2n1 ZINC000189806260 823497920 /nfs/dbraw/zinc/49/79/20/823497920.db2.gz HVIFGEARGHGIFT-UHFFFAOYSA-N 1 0 385.511 4.345 20 0 GIADRO CSc1cccc(N(C(=O)[C@H]2Cc3c(cccc3C)O2)C2CC[NH+](C)CC2)c1 ZINC000410473115 823498080 /nfs/dbraw/zinc/49/80/80/823498080.db2.gz UVLHVBVQTRYUMR-JOCHJYFZSA-N 1 0 396.556 4.148 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCCCC1)c1scnc1C(F)(F)F ZINC000410478464 823498408 /nfs/dbraw/zinc/49/84/08/823498408.db2.gz NDKNQEVLIGXVFJ-UHFFFAOYSA-N 1 0 397.466 4.468 20 0 GIADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)[C@H](C)C1 ZINC000410484538 823498578 /nfs/dbraw/zinc/49/85/78/823498578.db2.gz QMYVICIVDVRERO-JMJGKCIBSA-N 1 0 386.580 4.214 20 0 GIADRO O=C(C1CC[NH+](Cc2cccc(Br)c2)CC1)N1CCc2ccccc21 ZINC000030946933 820710977 /nfs/dbraw/zinc/71/09/77/820710977.db2.gz BCCZXAZPGIYWFR-UHFFFAOYSA-N 1 0 399.332 4.250 20 0 GIADRO Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)N(C)Cc2ccc(OC(F)F)cc2)c1 ZINC000059810965 823499594 /nfs/dbraw/zinc/49/95/94/823499594.db2.gz LFQSXXYROCZENT-FQEVSTJZSA-N 1 0 388.458 4.392 20 0 GIADRO C[C@H]([NH2+][C@@H]1c2cccc(F)c2CC[C@H]1C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177605460 823499951 /nfs/dbraw/zinc/49/99/51/823499951.db2.gz GMTPMXNOSMYZMD-WIEQDCTASA-N 1 0 390.524 4.050 20 0 GIADRO COc1ccccc1NC(=O)C[C@@H](C)N[C@@H](c1nccs1)c1ccccc1 ZINC000123348774 823499978 /nfs/dbraw/zinc/49/99/78/823499978.db2.gz YBDMIDLNCSFXLX-FOIQADDNSA-N 1 0 381.501 4.248 20 0 GIADRO COc1cccc(NC(=O)CC[NH+]2CCC(c3nc4cccc(C)c4o3)CC2)c1 ZINC000189812640 823499992 /nfs/dbraw/zinc/49/99/92/823499992.db2.gz KGRJZAJENXSJNB-UHFFFAOYSA-N 1 0 393.487 4.353 20 0 GIADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNS(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000059829412 823500131 /nfs/dbraw/zinc/50/01/31/823500131.db2.gz ARVRNZQSPONRNW-ZIAGYGMSSA-N 1 0 393.380 4.030 20 0 GIADRO CC(C)[C@H](CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000031088131 820737703 /nfs/dbraw/zinc/73/77/03/820737703.db2.gz KTEFPJVIDZYTHH-QHCPKHFHSA-N 1 0 379.548 4.390 20 0 GIADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(-c2nc3ccccc3s2)o1 ZINC000059995884 823504564 /nfs/dbraw/zinc/50/45/64/823504564.db2.gz RURJLLKNWINZSL-HUUCEWRRSA-N 1 0 383.517 4.407 20 0 GIADRO CC[C@H](NC(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1ccccc1OC ZINC000031150125 820754661 /nfs/dbraw/zinc/75/46/61/820754661.db2.gz CPEVFDOVFJBDSS-QFIPXVFZSA-N 1 0 395.547 4.153 20 0 GIADRO O=C(N[C@H]1C[C@H](c2ccccc2)C1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460758003 823505309 /nfs/dbraw/zinc/50/53/09/823505309.db2.gz KXZJCPBYTMDCGM-MOUTVQLLSA-N 1 0 389.543 4.096 20 0 GIADRO O=C(Nc1ccccc1OC[C@@H]1CCCCO1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000177613891 823501514 /nfs/dbraw/zinc/50/15/14/823501514.db2.gz KOZATENUMJQJSJ-QUCCMNQESA-N 1 0 386.536 4.228 20 0 GIADRO CCOC(=O)c1csc(CC[NH2+]C[C@H](C)c2cccc(Br)c2)n1 ZINC000190350616 823565568 /nfs/dbraw/zinc/56/55/68/823565568.db2.gz KOXNTXHVZVTDEE-LBPRGKRZSA-N 1 0 397.338 4.018 20 0 GIADRO Cc1ccc(C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)cc1NC(=O)c1ccco1 ZINC000059890574 823501777 /nfs/dbraw/zinc/50/17/77/823501777.db2.gz RKTKIGAERKFMIQ-HJPURHCSSA-N 1 0 397.519 4.081 20 0 GIADRO C[C@@H]1CCC[C@@](CNC(=O)c2ccc(COc3ccc(F)cc3)o2)([NH+](C)C)C1 ZINC000059890582 823501802 /nfs/dbraw/zinc/50/18/02/823501802.db2.gz LVLWZQAGKHGBJZ-OPAMFIHVSA-N 1 0 388.483 4.238 20 0 GIADRO CN(Cc1ccccc1N1CCCC1)C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000059951303 823503578 /nfs/dbraw/zinc/50/35/78/823503578.db2.gz XWGQPTJMSNORNS-UHFFFAOYSA-N 1 0 377.532 4.155 20 0 GIADRO COc1ccc2cc(C(=O)NC[C@H](c3cccc(Cl)c3)[NH+]3CCCC3)[nH]c2c1 ZINC000031418957 820808597 /nfs/dbraw/zinc/80/85/97/820808597.db2.gz ZGUKPCWGIDASCK-OAQYLSRUSA-N 1 0 397.906 4.397 20 0 GIADRO Cc1ccc(CC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1Br ZINC000189855285 823506569 /nfs/dbraw/zinc/50/65/69/823506569.db2.gz ZEWRYQVQDUUTQE-DOTOQJQBSA-N 1 0 393.369 4.069 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)c1 ZINC000031532047 820821644 /nfs/dbraw/zinc/82/16/44/820821644.db2.gz KZUUHIGDJXYYEJ-UHFFFAOYSA-N 1 0 399.560 4.081 20 0 GIADRO C[C@H](C(=O)Nc1cccc2ncccc21)[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000060090148 823507523 /nfs/dbraw/zinc/50/75/23/823507523.db2.gz MASPILVTKDVCLX-UZUQRXQVSA-N 1 0 389.499 4.007 20 0 GIADRO O=C(CCc1ccc(OC(F)F)cc1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000031543057 820823362 /nfs/dbraw/zinc/82/33/62/820823362.db2.gz VNWOCVPUHPIJNK-LJQANCHMSA-N 1 0 388.458 4.001 20 0 GIADRO Cc1cc(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)ccc1NC(=O)CC(C)C ZINC000460772635 823508171 /nfs/dbraw/zinc/50/81/71/823508171.db2.gz RMFNCVDNMIJAFB-IBGZPJMESA-N 1 0 387.549 4.074 20 0 GIADRO O=C(CCc1ccc2c(c1)OCCO2)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000031620285 820834954 /nfs/dbraw/zinc/83/49/54/820834954.db2.gz KGLWGQDAHKQVCF-UHFFFAOYSA-N 1 0 380.488 4.015 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000031619527 820834985 /nfs/dbraw/zinc/83/49/85/820834985.db2.gz MRYXQLQHUGNXHC-UHFFFAOYSA-N 1 0 378.451 4.454 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1cccc(Nc2ncccn2)c1 ZINC000031619808 820835016 /nfs/dbraw/zinc/83/50/16/820835016.db2.gz WGXKYIOYPVTFQJ-UHFFFAOYSA-N 1 0 387.487 4.458 20 0 GIADRO CC[C@@H](NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)c1c(C)noc1C ZINC000123439728 823509198 /nfs/dbraw/zinc/50/91/98/823509198.db2.gz MLLRIACLPJIKQK-HXUWFJFHSA-N 1 0 384.524 4.049 20 0 GIADRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)Nc2cncc(Cl)c2Cl)[C@H](C(F)(F)F)C1 ZINC000410688508 823509257 /nfs/dbraw/zinc/50/92/57/823509257.db2.gz PVGWXJSOMONZRL-RKDXNWHRSA-N 1 0 384.229 4.236 20 0 GIADRO C[C@@H](C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)n1cnc2ccccc21 ZINC000031810608 820863434 /nfs/dbraw/zinc/86/34/34/820863434.db2.gz JOKVDLYOPAFOHV-KKSFZXQISA-N 1 0 396.922 4.204 20 0 GIADRO C[C@H](C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)n1cnc2ccccc21 ZINC000031900323 820872871 /nfs/dbraw/zinc/87/28/71/820872871.db2.gz FXSRXSGJTQROLL-IIBYNOLFSA-N 1 0 396.922 4.204 20 0 GIADRO CC[C@H]([NH2+]Cc1cc2cc(OC)ccc2o1)c1ccccc1OCC(=O)N(C)C ZINC000123457412 823510868 /nfs/dbraw/zinc/51/08/68/823510868.db2.gz KKPYJWSCQGVZBW-FQEVSTJZSA-N 1 0 396.487 4.149 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1cc(C)nc2c1cnn2C(C)C)c1ccsc1 ZINC000031985160 820884111 /nfs/dbraw/zinc/88/41/11/820884111.db2.gz IKHQXLSWNOGNJG-LJQANCHMSA-N 1 0 399.564 4.195 20 0 GIADRO CC1CC[NH+]([C@@H](CNC(=O)c2nccc3ccccc32)c2cccs2)CC1 ZINC000060200772 823511510 /nfs/dbraw/zinc/51/15/10/823511510.db2.gz HONCEWWJDHQDNY-IBGZPJMESA-N 1 0 379.529 4.499 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)CCc1nc2ccccc2s1)c1ccsc1 ZINC000031987492 820885206 /nfs/dbraw/zinc/88/52/06/820885206.db2.gz ZAXIOTUNSQJLHL-KRWDZBQOSA-N 1 0 387.574 4.490 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccccc1Br)c1ccsc1 ZINC000031987968 820885375 /nfs/dbraw/zinc/88/53/75/820885375.db2.gz DDTNAFVWEXYDJL-INIZCTEOSA-N 1 0 381.339 4.324 20 0 GIADRO CCc1nn(C)cc1C[NH2+][C@@H]1CCCc2cc(NC(=O)OC(C)(C)C)ccc21 ZINC000189910187 823512782 /nfs/dbraw/zinc/51/27/82/823512782.db2.gz CVVCFUOIDKLHTE-HXUWFJFHSA-N 1 0 384.524 4.497 20 0 GIADRO O=C(CSc1ccc(Cl)cc1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000032217748 820903669 /nfs/dbraw/zinc/90/36/69/820903669.db2.gz UGWYOAWLXFNEKR-MRXNPFEDSA-N 1 0 380.966 4.447 20 0 GIADRO CC[C@@H](NC(=O)Nc1ccccc1OCC[NH+](CC)CC)c1c(C)noc1C ZINC000123490301 823514147 /nfs/dbraw/zinc/51/41/47/823514147.db2.gz VAHCJROQIHQXJR-QGZVFWFLSA-N 1 0 388.512 4.285 20 0 GIADRO Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C[NH2+]C[C@H](C)C[C@@H](C)O ZINC000123498787 823514948 /nfs/dbraw/zinc/51/49/48/823514948.db2.gz VGBHTFHXARFETR-VXGBXAGGSA-N 1 0 389.849 4.350 20 0 GIADRO Cc1nn(Cc2ccccc2Cl)c(Cl)c1C[NH2+][C@@H]1CCC[C@H]1CCO ZINC000189935312 823515460 /nfs/dbraw/zinc/51/54/60/823515460.db2.gz ORSGNCQXNKTKEP-KBXCAEBGSA-N 1 0 382.335 4.187 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc(OC3CCOCC3)cc2)cc1 ZINC000460798701 823515459 /nfs/dbraw/zinc/51/54/59/823515459.db2.gz XVCRVZWFYRSKEF-UHFFFAOYSA-N 1 0 396.531 4.016 20 0 GIADRO CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000177711099 823515555 /nfs/dbraw/zinc/51/55/55/823515555.db2.gz JBUQCJGVRJSVPO-AVRDEDQJSA-N 1 0 394.563 4.374 20 0 GIADRO CC[C@@H](CNC(=O)c1cc(F)c(F)cc1Cl)[N@@H+]1CCc2ccccc2C1 ZINC000032445937 820945820 /nfs/dbraw/zinc/94/58/20/820945820.db2.gz UDWINJOJBLVEKP-HNNXBMFYSA-N 1 0 378.850 4.185 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)COc1cccc2[nH]ccc21)c1ccc(Br)cc1 ZINC000177731457 823518132 /nfs/dbraw/zinc/51/81/32/823518132.db2.gz LQPCURBMIYNQQP-BBRMVZONSA-N 1 0 389.293 4.021 20 0 GIADRO Cc1onc(-c2ccc(F)cc2)c1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000032464822 820950575 /nfs/dbraw/zinc/95/05/75/820950575.db2.gz ZIRAVQOWKAOPTC-UHFFFAOYSA-N 1 0 393.462 4.315 20 0 GIADRO CSc1ccccc1NC(=O)CC[N@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000177723612 823516926 /nfs/dbraw/zinc/51/69/26/823516926.db2.gz OTEXOIXPMGQTCD-WZQKQDCOSA-N 1 0 390.574 4.168 20 0 GIADRO O=C(Nc1cccc(F)c1F)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000060351072 823518213 /nfs/dbraw/zinc/51/82/13/823518213.db2.gz ILRGLPMXGXAROP-SFHVURJKSA-N 1 0 384.348 4.358 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)CCCc1ncc(-c2ccccc2)o1)c1cccs1 ZINC000032486006 820957674 /nfs/dbraw/zinc/95/76/74/820957674.db2.gz AIGOBFLEQOGKQZ-KRWDZBQOSA-N 1 0 383.517 4.145 20 0 GIADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccccc2NC(=O)c2ccsc2)C1 ZINC000060341888 823517496 /nfs/dbraw/zinc/51/74/96/823517496.db2.gz ZLACTDPPWBIYIN-INIZCTEOSA-N 1 0 399.560 4.241 20 0 GIADRO CCCc1cccc(C(C)C)c1NC(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000189953909 823517505 /nfs/dbraw/zinc/51/75/05/823517505.db2.gz CXVUQDVQDHTADJ-IBGZPJMESA-N 1 0 375.557 4.121 20 0 GIADRO C[NH+](C)Cc1ccccc1CNC(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000460806357 823517536 /nfs/dbraw/zinc/51/75/36/823517536.db2.gz PAZVTLFHXBUFKR-OALUTQOASA-N 1 0 377.315 4.475 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)CC3 ZINC000123534941 823518684 /nfs/dbraw/zinc/51/86/84/823518684.db2.gz GSBTZAYCZBVSFL-BQKRCXSJSA-N 1 0 398.453 4.432 20 0 GIADRO Cc1ccc([C@H](CNC(=O)CCCOc2ccccc2Cl)[NH+]2CCCC2)o1 ZINC000060354812 823518851 /nfs/dbraw/zinc/51/88/51/823518851.db2.gz AKIYZERIOAVJRX-SFHVURJKSA-N 1 0 390.911 4.354 20 0 GIADRO CCCOc1ccc(C(=O)CCC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC000060395368 823523608 /nfs/dbraw/zinc/52/36/08/823523608.db2.gz IFEGCLBQEKMVDY-UHFFFAOYSA-N 1 0 388.552 4.017 20 0 GIADRO Cc1ccc(-c2nc(C)c(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)s2)o1 ZINC000032655364 820984125 /nfs/dbraw/zinc/98/41/25/820984125.db2.gz YXAKJLIAMACDNY-UHFFFAOYSA-N 1 0 395.528 4.414 20 0 GIADRO C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)c1 ZINC000032680769 820990670 /nfs/dbraw/zinc/99/06/70/820990670.db2.gz ZUEAQMUAWNCBKJ-NQIIRXRSSA-N 1 0 397.563 4.200 20 0 GIADRO C[NH+](C)C1(CNC(=O)c2ccc(COc3ccc(F)cc3)o2)CCCCCC1 ZINC000032703861 820994788 /nfs/dbraw/zinc/99/47/88/820994788.db2.gz AUHJLLSMHHJCJC-UHFFFAOYSA-N 1 0 388.483 4.382 20 0 GIADRO C[C@@H](CNC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)[N@@H+]1CCCC[C@H]1C ZINC000032732869 820999431 /nfs/dbraw/zinc/99/94/31/820999431.db2.gz XMAWJGPUCXBWML-MSOLQXFVSA-N 1 0 394.519 4.323 20 0 GIADRO C[C@@H](CNC(=O)Cc1csc(-c2ccccc2Cl)n1)[N@@H+]1CCCC[C@@H]1C ZINC000032733258 821000047 /nfs/dbraw/zinc/00/00/47/821000047.db2.gz GCUWTWMMWIYLBJ-GJZGRUSLSA-N 1 0 391.968 4.385 20 0 GIADRO Cc1cc(-n2c(C)cc(C(=O)NC[C@H](c3cccs3)[NH+]3CCCC3)c2C)no1 ZINC000032762335 821004224 /nfs/dbraw/zinc/00/42/24/821004224.db2.gz KMLQDFWYRWCVMC-GOSISDBHSA-N 1 0 398.532 4.019 20 0 GIADRO CC(C)c1c(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cnn1-c1cccc(Cl)c1 ZINC000123557264 823521035 /nfs/dbraw/zinc/52/10/35/823521035.db2.gz ZXBLGLPYEZSMHC-NVXWUHKLSA-N 1 0 388.943 4.204 20 0 GIADRO O=C(c1sc(-c2ccco2)nc1-c1ccccc1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000060374115 823521142 /nfs/dbraw/zinc/52/11/42/823521142.db2.gz XBNRHLYGENGYMR-QGZVFWFLSA-N 1 0 393.512 4.380 20 0 GIADRO COCc1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)ccc1OC ZINC000177755366 823521248 /nfs/dbraw/zinc/52/12/48/823521248.db2.gz YSQUUXQQPUMQNR-JKSUJKDBSA-N 1 0 384.476 4.210 20 0 GIADRO Cc1c(O)ccc2c(C[NH2+][C@H](C)c3ccc(Br)cc3)cc(=O)oc12 ZINC000032791465 821008499 /nfs/dbraw/zinc/00/84/99/821008499.db2.gz PBUJIFKOEXVFRG-GFCCVEGCSA-N 1 0 388.261 4.420 20 0 GIADRO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]Cc1ccc(Cn2cncn2)cc1 ZINC000177774353 823524096 /nfs/dbraw/zinc/52/40/96/823524096.db2.gz HLELXBHGOAPJFS-CVEARBPZSA-N 1 0 377.517 4.218 20 0 GIADRO COc1ccc(-n2c(C)cc(C(=O)N3CCC(C[N@H+](C)C(C)C)CC3)c2C)cc1 ZINC000060395131 823523410 /nfs/dbraw/zinc/52/34/10/823523410.db2.gz CJHYXDBBACOBPT-UHFFFAOYSA-N 1 0 397.563 4.295 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(COc2ccc(C)cc2C)o1 ZINC000177768829 823523489 /nfs/dbraw/zinc/52/34/89/823523489.db2.gz DTKCQDFUGHDVRQ-MOPGFXCFSA-N 1 0 382.504 4.174 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H](C)Oc2ccc3c(c2)CCC3)cc1 ZINC000033222780 821050498 /nfs/dbraw/zinc/05/04/98/821050498.db2.gz NNMJXRKWQCVOGZ-GOSISDBHSA-N 1 0 380.532 4.101 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H](C)Oc1ccc2c(c1)CCC2 ZINC000033223022 821050654 /nfs/dbraw/zinc/05/06/54/821050654.db2.gz LQQFZLOEWJLEGX-GOSISDBHSA-N 1 0 380.532 4.101 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)CCCc2ncc(-c3ccccc3)o2)cc1 ZINC000033221125 821050745 /nfs/dbraw/zinc/05/07/45/821050745.db2.gz FAVSVCUMEJIJDB-UHFFFAOYSA-N 1 0 377.488 4.042 20 0 GIADRO CCOc1ccccc1OCC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000060441304 823527962 /nfs/dbraw/zinc/52/79/62/823527962.db2.gz RUDBHKLDUNYQGU-UHFFFAOYSA-N 1 0 396.531 4.012 20 0 GIADRO COc1ccccc1OCCC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000060441420 823528143 /nfs/dbraw/zinc/52/81/43/823528143.db2.gz AWMBSROKEZIWJG-UHFFFAOYSA-N 1 0 396.531 4.012 20 0 GIADRO CC[C@@H](C(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1C)[NH+](CC)CC ZINC000460850229 823528387 /nfs/dbraw/zinc/52/83/87/823528387.db2.gz ZDKHVAYIPMETCG-IBGZPJMESA-N 1 0 383.540 4.039 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1cn(C)nc1-c1ccccc1)CC3 ZINC000123641657 823528496 /nfs/dbraw/zinc/52/84/96/823528496.db2.gz VNXWQLWPVKSGCV-GOSISDBHSA-N 1 0 386.499 4.224 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000177809961 823528678 /nfs/dbraw/zinc/52/86/78/823528678.db2.gz OWZSYRCQKSRWKR-RTWAWAEBSA-N 1 0 392.503 4.029 20 0 GIADRO O=C(Cc1ccc(Cl)cc1)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000036099581 821068530 /nfs/dbraw/zinc/06/85/30/821068530.db2.gz UFVIWEPUYCXVBC-LJQANCHMSA-N 1 0 377.315 4.489 20 0 GIADRO CC(C)c1cccc(C(C)C)c1NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000190034384 823528902 /nfs/dbraw/zinc/52/89/02/823528902.db2.gz LIUNMFJJAHHCDB-KRWDZBQOSA-N 1 0 375.557 4.242 20 0 GIADRO Brc1cccc(-c2ccc(C[NH2+]CCCOC[C@@H]3CCOC3)o2)c1 ZINC000123646454 823528977 /nfs/dbraw/zinc/52/89/77/823528977.db2.gz WGGJRCFLUJZDLB-HNNXBMFYSA-N 1 0 394.309 4.242 20 0 GIADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2Br)C1 ZINC000123654829 823529502 /nfs/dbraw/zinc/52/95/02/823529502.db2.gz VPAHHVLDOVDERB-RYUDHWBXSA-N 1 0 393.247 4.071 20 0 GIADRO CCOC1CC(CCNC(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)C1 ZINC000190003783 823524383 /nfs/dbraw/zinc/52/43/83/823524383.db2.gz MVAHOJGRDLLCIC-XTWGIRIWSA-N 1 0 387.568 4.065 20 0 GIADRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(Cn3cncn3)cc2)c2cccc(Br)c21 ZINC000177776012 823524419 /nfs/dbraw/zinc/52/44/19/823524419.db2.gz GKERCBOWAVYQKR-KUHUBIRLSA-N 1 0 397.320 4.427 20 0 GIADRO COc1cc(C)c([C@H](C)[NH2+]C[C@H](O)c2ccccc2C(F)(F)F)cc1OC ZINC000177779122 823525017 /nfs/dbraw/zinc/52/50/17/823525017.db2.gz UIICICINHBTWAE-GUYCJALGSA-N 1 0 383.410 4.415 20 0 GIADRO CCN(C(=O)c1cc(-c2ccncc2)on1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000123612953 823525790 /nfs/dbraw/zinc/52/57/90/823525790.db2.gz NPHRYWBGWHNOHS-PXNSSMCTSA-N 1 0 390.487 4.034 20 0 GIADRO CC(C)c1ccc(S(=O)(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000038583519 821097917 /nfs/dbraw/zinc/09/79/17/821097917.db2.gz ZIKBVHRTYIFINL-UHFFFAOYSA-N 1 0 386.561 4.001 20 0 GIADRO C[C@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)c1cccc(OC(F)(F)F)c1 ZINC000177791791 823526573 /nfs/dbraw/zinc/52/65/73/823526573.db2.gz JCXJMWILZPPZRQ-AWEZNQCLSA-N 1 0 399.457 4.352 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]C[C@@H](O)COc1ccccc1 ZINC000177797053 823527221 /nfs/dbraw/zinc/52/72/21/823527221.db2.gz JUERNBYQTOEVDR-KBXCAEBGSA-N 1 0 386.492 4.348 20 0 GIADRO COCCC[NH+]1CCC(NC(=O)c2ccccc2Sc2ccccc2)CC1 ZINC000460860387 823530809 /nfs/dbraw/zinc/53/08/09/823530809.db2.gz LPVKQOWKXMOSSM-UHFFFAOYSA-N 1 0 384.545 4.069 20 0 GIADRO Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2S(=O)(=O)N2CCCCC2)s1 ZINC000177822173 823531029 /nfs/dbraw/zinc/53/10/29/823531029.db2.gz CEGOORJOOUKZTR-MRXNPFEDSA-N 1 0 378.563 4.082 20 0 GIADRO C[C@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)c1cc(Br)ccc1F ZINC000177824042 823531397 /nfs/dbraw/zinc/53/13/97/823531397.db2.gz RDZAWVRJYUJJIZ-LBPRGKRZSA-N 1 0 395.272 4.137 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)s1)c1ccc(S(C)(=O)=O)cc1 ZINC000177824782 823531662 /nfs/dbraw/zinc/53/16/62/823531662.db2.gz XNEFXZBQUJWYES-MNOVXSKESA-N 1 0 388.352 4.326 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@@H]2CCO[C@H]2c2ccccc2)c1 ZINC000190058815 823531811 /nfs/dbraw/zinc/53/18/11/823531811.db2.gz CHFJGMPLMNDIRA-GOTSBHOMSA-N 1 0 395.547 4.105 20 0 GIADRO Cc1ccc(NC(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)cc1NC(=O)C(C)(C)C ZINC000123729625 823535531 /nfs/dbraw/zinc/53/55/31/823535531.db2.gz YLTXUTBROHRQEG-QGZVFWFLSA-N 1 0 388.556 4.079 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1ccc(Br)o1 ZINC000060475273 823532142 /nfs/dbraw/zinc/53/21/42/823532142.db2.gz XTTRKKDMUROXIS-CQSZACIVSA-N 1 0 391.309 4.347 20 0 GIADRO Cc1noc2nc(C)cc(C(=O)NCc3ccccc3C[N@H+]3CCC[C@@H](C)C3)c12 ZINC000060475134 823532157 /nfs/dbraw/zinc/53/21/57/823532157.db2.gz MLMIDSKPCFLYOA-OAHLLOKOSA-N 1 0 392.503 4.002 20 0 GIADRO COc1cc(CC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)ccc1C ZINC000060475286 823532182 /nfs/dbraw/zinc/53/21/82/823532182.db2.gz NZLXQDNDDUJOED-LJQANCHMSA-N 1 0 380.532 4.237 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)cc1 ZINC000177846205 823535581 /nfs/dbraw/zinc/53/55/81/823535581.db2.gz KDYIBIVEVFWKKW-GOSISDBHSA-N 1 0 388.515 4.268 20 0 GIADRO CCCCOCC[NH2+]Cc1cc(Br)cc(Br)c1OC ZINC000040506837 821161399 /nfs/dbraw/zinc/16/13/99/821161399.db2.gz SWGSOGMBHXWODW-UHFFFAOYSA-N 1 0 395.135 4.127 20 0 GIADRO CCOc1ccc(CC(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)cc1 ZINC000040615919 821162485 /nfs/dbraw/zinc/16/24/85/821162485.db2.gz PGKLUWZMRVQPEU-QHCPKHFHSA-N 1 0 380.532 4.217 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)[C@@H](C)Cc1ccccc1F)[NH+]1CCCCC1 ZINC000040654327 821163306 /nfs/dbraw/zinc/16/33/06/821163306.db2.gz FVLAUYDGTHDBDU-AVRDEDQJSA-N 1 0 398.522 4.356 20 0 GIADRO COc1ccc([C@@H](C)CC(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1 ZINC000040654385 821163427 /nfs/dbraw/zinc/16/34/27/821163427.db2.gz AXEBQKGJHZMETD-WMZHIEFXSA-N 1 0 380.532 4.451 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)CCc1ncc(-c2ccccc2)o1)c1ccccc1 ZINC000041020052 821167443 /nfs/dbraw/zinc/16/74/43/821167443.db2.gz TXWADFQXOKWTDX-NRFANRHFSA-N 1 0 391.515 4.474 20 0 GIADRO CC[NH2+]Cc1cccc(NC(=O)c2cccnc2SCc2cc(C)on2)c1 ZINC000123706261 823533562 /nfs/dbraw/zinc/53/35/62/823533562.db2.gz OSXYJOLXIIYJJC-UHFFFAOYSA-N 1 0 382.489 4.032 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(C)(C)c1ccc(Br)cc1 ZINC000060566668 823542997 /nfs/dbraw/zinc/54/29/97/823542997.db2.gz GPLAPNQEPDMFAN-INIZCTEOSA-N 1 0 395.385 4.498 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)c1cc(C)n(C(C)C)c1C)[NH+]1CCCC1 ZINC000041299398 821181569 /nfs/dbraw/zinc/18/15/69/821181569.db2.gz DHRJODGAFNYKGO-NRFANRHFSA-N 1 0 383.536 4.261 20 0 GIADRO CC(C)[N@H+](C)CCCNC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000041318593 821183034 /nfs/dbraw/zinc/18/30/34/821183034.db2.gz JRFJQPHAEICPNF-UHFFFAOYSA-N 1 0 395.425 4.353 20 0 GIADRO O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1ccc(-n2ccnc2)cc1 ZINC000041399868 821187964 /nfs/dbraw/zinc/18/79/64/821187964.db2.gz SOVRNPVQCNMKCE-OAQYLSRUSA-N 1 0 394.906 4.093 20 0 GIADRO Cc1c(Cl)cccc1NC(=O)C[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000177851475 823536329 /nfs/dbraw/zinc/53/63/29/823536329.db2.gz CQPLEYLLQBLRCY-OAHLLOKOSA-N 1 0 385.895 4.065 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)Nc1cccc2ccn(C)c21 ZINC000190091402 823536418 /nfs/dbraw/zinc/53/64/18/823536418.db2.gz QRUAOIPGYDKSSF-UHFFFAOYSA-N 1 0 391.519 4.344 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCC2)C1 ZINC000177883428 823540893 /nfs/dbraw/zinc/54/08/93/823540893.db2.gz SOAKYRLXLYHQKK-INIZCTEOSA-N 1 0 397.485 4.110 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1oc2c(c1C)C(=O)CCC2 ZINC000041615422 821214784 /nfs/dbraw/zinc/21/47/84/821214784.db2.gz CRQXFDKVBOSLOO-UHFFFAOYSA-N 1 0 384.476 4.080 20 0 GIADRO CC[NH+]1CCC(N[C@@H](C)c2ccc(Br)cc2Br)CC1 ZINC000041661394 821216080 /nfs/dbraw/zinc/21/60/80/821216080.db2.gz UKQSPWXPXQYWTK-NSHDSACASA-N 1 0 390.163 4.347 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000041786191 821229536 /nfs/dbraw/zinc/22/95/36/821229536.db2.gz UJVTYCSPGGHGFQ-IBGZPJMESA-N 1 0 393.531 4.063 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Cc1sc(=S)[nH]c1C)c1ccccc1Cl ZINC000041800018 821231647 /nfs/dbraw/zinc/23/16/47/821231647.db2.gz YTMFNAXEXOMOKW-OAHLLOKOSA-N 1 0 397.997 4.135 20 0 GIADRO Cc1cc(CSc2ccccc2C(=O)NCCC[N@H+]2CCCC[C@@H]2C)on1 ZINC000041822719 821233965 /nfs/dbraw/zinc/23/39/65/821233965.db2.gz JFHWDIKIDXTABC-KRWDZBQOSA-N 1 0 387.549 4.270 20 0 GIADRO C[C@H](C[NH2+][C@H](C)c1ccc(NC(=O)NC2CC2)cc1)N1CCc2sccc2C1 ZINC000177864316 823538158 /nfs/dbraw/zinc/53/81/58/823538158.db2.gz BGGBTNOYSDCNMW-HZPDHXFCSA-N 1 0 398.576 4.129 20 0 GIADRO COCCOc1ccccc1C[NH2+]Cc1c(C)nn(-c2ccc(Cl)cc2)c1C ZINC000060527800 823538547 /nfs/dbraw/zinc/53/85/47/823538547.db2.gz JHPCBESSDUQFGW-UHFFFAOYSA-N 1 0 399.922 4.458 20 0 GIADRO CO[C@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1)c1ccccc1 ZINC000060528397 823538761 /nfs/dbraw/zinc/53/87/61/823538761.db2.gz WEELFRLPAVWCIR-HSZRJFAPSA-N 1 0 384.483 4.412 20 0 GIADRO CC(C)C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccs1 ZINC000177896378 823543212 /nfs/dbraw/zinc/54/32/12/823543212.db2.gz IOCORNYRRGRUNZ-LJQANCHMSA-N 1 0 392.590 4.410 20 0 GIADRO C[C@H](Cc1cccc(Cl)c1)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000123771440 823539298 /nfs/dbraw/zinc/53/92/98/823539298.db2.gz CABMKSBOFKVYME-OAHLLOKOSA-N 1 0 387.911 4.048 20 0 GIADRO C[NH+]1CCN(c2ccc(NC(=O)CCc3ccc(-c4ccccc4)[nH]3)cc2)CC1 ZINC000060551389 823541233 /nfs/dbraw/zinc/54/12/33/823541233.db2.gz UTQLNVWYJKMKGQ-UHFFFAOYSA-N 1 0 388.515 4.005 20 0 GIADRO COc1ccc2c(c1)CCN2C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000060534920 823539361 /nfs/dbraw/zinc/53/93/61/823539361.db2.gz QWOXMZGVQFAUIJ-UHFFFAOYSA-N 1 0 399.922 4.085 20 0 GIADRO CCN(C(=O)CCc1ccc(OC)c(F)c1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000060543792 823540444 /nfs/dbraw/zinc/54/04/44/823540444.db2.gz SHLWQZXUZKFWEY-NQIIRXRSSA-N 1 0 398.522 4.451 20 0 GIADRO Cc1ccccc1CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000042132582 821272446 /nfs/dbraw/zinc/27/24/46/821272446.db2.gz ILKYEOPEWDCAPN-QUCCMNQESA-N 1 0 391.515 4.063 20 0 GIADRO CN(C)c1ccc(C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)cc1 ZINC000411066771 823540546 /nfs/dbraw/zinc/54/05/46/823540546.db2.gz BGVPOXXMLAMFPS-UHFFFAOYSA-N 1 0 387.911 4.131 20 0 GIADRO CCc1ccc(C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C2CC2)cc1 ZINC000042146750 821274325 /nfs/dbraw/zinc/27/43/25/821274325.db2.gz AXXOTGSKTULFBK-OAQYLSRUSA-N 1 0 396.494 4.451 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(OCc2cccnc2)cc1)c1ccc2c(c1)OCCO2 ZINC000042186447 821281165 /nfs/dbraw/zinc/28/11/65/821281165.db2.gz IBQZFEFMPMLYTK-KRWDZBQOSA-N 1 0 376.456 4.283 20 0 GIADRO COc1ccc(-c2n[nH]cc2C[NH2+]Cc2cc(Br)ccc2F)cc1 ZINC000042201875 821282872 /nfs/dbraw/zinc/28/28/72/821282872.db2.gz GGTLQUMDJCICOE-UHFFFAOYSA-N 1 0 390.256 4.277 20 0 GIADRO COc1ccc([C@H](O)C[NH2+]Cc2c(C)nn(Cc3ccc(C)cc3)c2Cl)cc1 ZINC000042202502 821283513 /nfs/dbraw/zinc/28/35/13/821283513.db2.gz PPWCENCPQFFBCD-OAQYLSRUSA-N 1 0 399.922 4.033 20 0 GIADRO C[C@@H](CNC(=O)c1oc2ccccc2c1COc1ccccc1)[NH+]1CCCC1 ZINC000042508713 821309372 /nfs/dbraw/zinc/30/93/72/821309372.db2.gz JMGZNJSJOGTDLV-KRWDZBQOSA-N 1 0 378.472 4.226 20 0 GIADRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccccc1OCc1c(C)noc1C ZINC000042538782 821309753 /nfs/dbraw/zinc/30/97/53/821309753.db2.gz SFJOUJAEIMWDEW-INIZCTEOSA-N 1 0 387.524 4.111 20 0 GIADRO CSc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1 ZINC000042564074 821310705 /nfs/dbraw/zinc/31/07/05/821310705.db2.gz JOUHCVJNYOZLLE-IRXDYDNUSA-N 1 0 397.544 4.086 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cccc3ccccc32)c1 ZINC000042636574 821317052 /nfs/dbraw/zinc/31/70/52/821317052.db2.gz PDJDNPOTJCEUIK-HOTGVXAUSA-N 1 0 375.472 4.476 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)CSc1nc2ccccc2o1 ZINC000042699045 821325150 /nfs/dbraw/zinc/32/51/50/821325150.db2.gz OTXGLFHDYYFYBK-UHFFFAOYSA-N 1 0 399.516 4.279 20 0 GIADRO O=C(Nc1cc(Cl)ccc1O)C1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000042743242 821329798 /nfs/dbraw/zinc/32/97/98/821329798.db2.gz QECGESLWRBSEHC-UHFFFAOYSA-N 1 0 395.890 4.445 20 0 GIADRO C[C@@H](C(=O)NCc1ccccc1)[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000042742573 821330083 /nfs/dbraw/zinc/33/00/83/821330083.db2.gz RAPVCHZDXASTLD-HNNXBMFYSA-N 1 0 397.906 4.366 20 0 GIADRO C[C@H](Oc1ccc(F)cc1Br)C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000043012378 821354675 /nfs/dbraw/zinc/35/46/75/821354675.db2.gz DAQVTHNRPKLIHO-LBPRGKRZSA-N 1 0 395.272 4.056 20 0 GIADRO CC(C)[C@@H](NC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)c1nc2ccccc2[nH]1 ZINC000043105571 821361552 /nfs/dbraw/zinc/36/15/52/821361552.db2.gz JYHWEFXRUUPFFL-FXAWDEMLSA-N 1 0 385.556 4.071 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)Nc1ccc(Br)cc1 ZINC000043134102 821365700 /nfs/dbraw/zinc/36/57/00/821365700.db2.gz YHQGMRNGJBGWGW-OAHLLOKOSA-N 1 0 378.270 4.001 20 0 GIADRO C[C@@H](c1nc2ccccc2s1)N(C)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000043144316 821367429 /nfs/dbraw/zinc/36/74/29/821367429.db2.gz YRODXDRZMTYNOT-ZFWWWQNUSA-N 1 0 388.562 4.363 20 0 GIADRO CC(C)[NH+]1CCC(NC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)CC1 ZINC000043168253 821372816 /nfs/dbraw/zinc/37/28/16/821372816.db2.gz BIYHRXRFDIEESF-MRXNPFEDSA-N 1 0 386.565 4.058 20 0 GIADRO CCOc1cc(NC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)ccc1OC ZINC000043231282 821377646 /nfs/dbraw/zinc/37/76/46/821377646.db2.gz UUHKUGFDRJEBIV-INIZCTEOSA-N 1 0 389.521 4.114 20 0 GIADRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1SC)c1ccc2c(c1)OCCO2 ZINC000180638391 821377767 /nfs/dbraw/zinc/37/77/67/821377767.db2.gz OVWYNNUACLDYRL-GOEBONIOSA-N 1 0 386.517 4.248 20 0 GIADRO COc1ccc([C@@H]2CCCN2C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000043231979 821378231 /nfs/dbraw/zinc/37/82/31/821378231.db2.gz PRNKOFVUYCDDLY-VQTJNVASSA-N 1 0 399.560 4.440 20 0 GIADRO CCN(C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H](C)c1cccc(OC)c1 ZINC000043239254 821380024 /nfs/dbraw/zinc/38/00/24/821380024.db2.gz WPXMXEQYXOIZKG-GHTZIAJQSA-N 1 0 381.520 4.062 20 0 GIADRO Cn1cc(C[N@@H+](Cc2ccccc2)C[C@H](O)c2ccco2)c(-c2cccs2)n1 ZINC000180650199 821382586 /nfs/dbraw/zinc/38/25/86/821382586.db2.gz DVKFPCKWDMAAAR-IBGZPJMESA-N 1 0 393.512 4.477 20 0 GIADRO Cc1noc(C)c1CSCC(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000043268144 821383701 /nfs/dbraw/zinc/38/37/01/821383701.db2.gz IBOXRNRDBSOZFP-UHFFFAOYSA-N 1 0 387.549 4.395 20 0 GIADRO Cn1ccnc1[C@@H](O)[C@H]1CCC[N@H+](Cc2ccc(-c3cccc(F)c3)s2)C1 ZINC000180656546 821384762 /nfs/dbraw/zinc/38/47/62/821384762.db2.gz GGJOIDDDTACBJJ-JXFKEZNVSA-N 1 0 385.508 4.233 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)c2ccc(OC(F)F)c(OC)c2)c1 ZINC000043274246 821384904 /nfs/dbraw/zinc/38/49/04/821384904.db2.gz VIAZARIXOZUNGA-UHFFFAOYSA-N 1 0 392.446 4.068 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc(OCc3nccn3C)cc2)cc1 ZINC000043273536 821385049 /nfs/dbraw/zinc/38/50/49/821385049.db2.gz QUQQFLSZKKGOOI-UHFFFAOYSA-N 1 0 392.503 4.093 20 0 GIADRO CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@@H](c1ccccc1)c1ccccn1 ZINC000043295284 821387724 /nfs/dbraw/zinc/38/77/24/821387724.db2.gz YIJVXENUSWJWPX-QFIPXVFZSA-N 1 0 382.552 4.180 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(N(C)C)cc2)cc1OCC ZINC000043301756 821388021 /nfs/dbraw/zinc/38/80/21/821388021.db2.gz CZZYNJQMRMGSPK-DLBZAZTESA-N 1 0 399.535 4.228 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(N(C)C)cc2)cc1OCC ZINC000043301750 821388242 /nfs/dbraw/zinc/38/82/42/821388242.db2.gz CZZYNJQMRMGSPK-SJORKVTESA-N 1 0 399.535 4.228 20 0 GIADRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000180667604 821388659 /nfs/dbraw/zinc/38/86/59/821388659.db2.gz SBVGGMQEXVXTCT-IBGZPJMESA-N 1 0 384.549 4.178 20 0 GIADRO C[C@@H]([NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)c1cccc(-n2ccnc2)c1 ZINC000180671389 821390040 /nfs/dbraw/zinc/39/00/40/821390040.db2.gz XWCHBDCPPOABRZ-IPJUCJBFSA-N 1 0 384.524 4.359 20 0 GIADRO COc1cccc([C@@H](CNC(=O)Nc2ccccc2SC)[NH+]2CCCC2)c1 ZINC000043319252 821391669 /nfs/dbraw/zinc/39/16/69/821391669.db2.gz BGFTXIPEYPDXQF-LJQANCHMSA-N 1 0 385.533 4.376 20 0 GIADRO CCOc1cccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(Br)cc2F)c1 ZINC000180679087 821393010 /nfs/dbraw/zinc/39/30/10/821393010.db2.gz GPIOWUWIWGYQAT-GFCCVEGCSA-N 1 0 395.272 4.276 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1)c1cccc(N2CCCC2=O)c1 ZINC000180690963 821397101 /nfs/dbraw/zinc/39/71/01/821397101.db2.gz PTFWBUVCCQUFKL-LIRRHRJNSA-N 1 0 392.421 4.216 20 0 GIADRO CC(C)C[NH+]1CCC(NC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000043362138 821397549 /nfs/dbraw/zinc/39/75/49/821397549.db2.gz BDRIKUWIKOWSDO-UHFFFAOYSA-N 1 0 375.847 4.183 20 0 GIADRO COc1ccccc1[C@@H]([NH2+]C1CCN(Cc2ccncc2)CC1)c1ccccc1 ZINC000180695101 821399210 /nfs/dbraw/zinc/39/92/10/821399210.db2.gz NZLPWOMXPLLGEM-VWLOTQADSA-N 1 0 387.527 4.434 20 0 GIADRO CCCCCc1nnc(NC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)s1 ZINC000043407054 821403529 /nfs/dbraw/zinc/40/35/29/821403529.db2.gz UZTQYSJUMYETFU-UHFFFAOYSA-N 1 0 387.553 4.011 20 0 GIADRO 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 821414814 /nfs/dbraw/zinc/41/48/14/821414814.db2.gz KVVBRKKGASOYKL-MORSLUCNSA-N 1 0 383.458 4.281 20 0 GIADRO O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000180716492 821415012 /nfs/dbraw/zinc/41/50/12/821415012.db2.gz ZAKUHZJPFKYRQF-DNVCBOLYSA-N 1 0 395.469 4.284 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)NC[C@@H](C)c3ccccc3)c(C)c2)CC1 ZINC000043522874 821421870 /nfs/dbraw/zinc/42/18/70/821421870.db2.gz ZZWBBKPGAFTREU-LJQANCHMSA-N 1 0 380.536 4.062 20 0 GIADRO CC[C@H](CNC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C)c1ccccc1 ZINC000043522780 821421976 /nfs/dbraw/zinc/42/19/76/821421976.db2.gz HDFWWURWMZAWSO-HXUWFJFHSA-N 1 0 394.563 4.452 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)NCc3ccc(Cl)cc3)c(C)c2)CC1 ZINC000043523271 821422574 /nfs/dbraw/zinc/42/25/74/821422574.db2.gz CTUYJNRLGHERLH-UHFFFAOYSA-N 1 0 386.927 4.112 20 0 GIADRO C[C@H]([NH2+]CC1(N2CCCCC2)CCOCC1)c1ccc(Br)s1 ZINC000180737110 821425065 /nfs/dbraw/zinc/42/50/65/821425065.db2.gz PQTNPTPOOWTUPS-AWEZNQCLSA-N 1 0 387.387 4.196 20 0 GIADRO C[C@@H](NCC1([NH+]2CCCCC2)CCOCC1)c1ccccc1OC(F)(F)F ZINC000180740623 821428254 /nfs/dbraw/zinc/42/82/54/821428254.db2.gz FBFUNWKFKFLZJB-MRXNPFEDSA-N 1 0 386.458 4.271 20 0 GIADRO CCN(Cc1ccccc1C)C(=O)Nc1ccccc1N1CC[NH+](CC)CC1 ZINC000043574476 821428471 /nfs/dbraw/zinc/42/84/71/821428471.db2.gz QETGKALOEOGYPG-UHFFFAOYSA-N 1 0 380.536 4.191 20 0 GIADRO C[C@H](NCC1([NH+]2CCCCC2)CCOCC1)c1ccc(F)cc1OC(F)F ZINC000180741713 821429018 /nfs/dbraw/zinc/42/90/18/821429018.db2.gz HBQDGJTUGQBHHF-HNNXBMFYSA-N 1 0 386.458 4.113 20 0 GIADRO CCC[C@@H](NC(=O)Nc1ccccc1N1CC[NH+](CC)CC1)c1ccccc1 ZINC000043574927 821429112 /nfs/dbraw/zinc/42/91/12/821429112.db2.gz YUBWYXDDNAWSKM-HXUWFJFHSA-N 1 0 380.536 4.491 20 0 GIADRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)NCc2cccs2)cc1 ZINC000043644271 821435359 /nfs/dbraw/zinc/43/53/59/821435359.db2.gz ZWYDCJDKVMXDFS-UHFFFAOYSA-N 1 0 379.529 4.476 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)c2ccc(NC(=O)[C@H]3C[C@H]3C)cc2)CC1 ZINC000180755120 821436221 /nfs/dbraw/zinc/43/62/21/821436221.db2.gz WMGWIUSBZLUMRR-GCJKJVERSA-N 1 0 399.579 4.255 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000043652951 821436688 /nfs/dbraw/zinc/43/66/88/821436688.db2.gz ITGSYXHPTPDOSV-UHFFFAOYSA-N 1 0 394.519 4.199 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)c2cn(C)nc2-c2cccs2)CC1 ZINC000180757121 821436683 /nfs/dbraw/zinc/43/66/83/821436683.db2.gz ASYNOOWVNWGHDX-UHFFFAOYSA-N 1 0 388.581 4.123 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)c2cc(C)n(-c3ccccc3)n2)CC1 ZINC000180755890 821436916 /nfs/dbraw/zinc/43/69/16/821436916.db2.gz XWMKRNLIQVSGQI-UHFFFAOYSA-N 1 0 382.552 4.155 20 0 GIADRO CCc1nc(-c2ccc(C(=O)N3CCC(CCC[NH+](CC)CC)CC3)cc2)n[nH]1 ZINC000180758641 821437952 /nfs/dbraw/zinc/43/79/52/821437952.db2.gz KSXXIRXCAIIBNS-UHFFFAOYSA-N 1 0 397.567 4.008 20 0 GIADRO COc1cc([C@H](C)[NH2+]CCCC(=O)N2CCc3ccccc32)ccc1SC ZINC000180760539 821439479 /nfs/dbraw/zinc/43/94/79/821439479.db2.gz HSQUCLLPNJZZNG-INIZCTEOSA-N 1 0 384.545 4.437 20 0 GIADRO CC(C)C(=O)Nc1ccc(NC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000043675128 821440062 /nfs/dbraw/zinc/44/00/62/821440062.db2.gz LELFXKMUHYLVFY-OAQYLSRUSA-N 1 0 394.519 4.240 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F)C(=O)Nc1ccccc1 ZINC000180761714 821440110 /nfs/dbraw/zinc/44/01/10/821440110.db2.gz QPQWXCPYUNERQR-UONOGXRCSA-N 1 0 393.409 4.039 20 0 GIADRO CCc1ccc([C@H](CNC(=O)Nc2ccc(NC(=O)C(C)C)cc2)[NH+](C)C)cc1 ZINC000043675145 821440247 /nfs/dbraw/zinc/44/02/47/821440247.db2.gz RCFHUDIYXAHWRX-NRFANRHFSA-N 1 0 396.535 4.268 20 0 GIADRO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CCN(C(=O)C2CCCCC2)C1)CC3 ZINC000180773477 821447839 /nfs/dbraw/zinc/44/78/39/821447839.db2.gz MSBLMWZATSXUAK-MOPGFXCFSA-N 1 0 379.548 4.104 20 0 GIADRO Cc1c(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cnn1-c1cccc(C)c1 ZINC000043729054 821448231 /nfs/dbraw/zinc/44/82/31/821448231.db2.gz HMEICJPVOWCVPD-HXUWFJFHSA-N 1 0 394.544 4.118 20 0 GIADRO COc1ccc([C@@H]([NH2+][C@H]2CCN(C(=O)C3CCCC3)C2)c2ccccc2)cc1 ZINC000180781198 821453878 /nfs/dbraw/zinc/45/38/78/821453878.db2.gz IXLWWTOAJJKREC-GMAHTHKFSA-N 1 0 378.516 4.165 20 0 GIADRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000043781163 821457349 /nfs/dbraw/zinc/45/73/49/821457349.db2.gz YPKFSDVPRGNGHT-NRFANRHFSA-N 1 0 394.906 4.297 20 0 GIADRO O=C(NCC[NH2+][C@@H]1CC2(CCCC2)Oc2ccccc21)c1c(F)cccc1F ZINC000180787923 821457790 /nfs/dbraw/zinc/45/77/90/821457790.db2.gz RSZBCPSMIDPWJC-GOSISDBHSA-N 1 0 386.442 4.121 20 0 GIADRO CC[C@@H]1c2ccsc2CCN1C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000043799095 821459910 /nfs/dbraw/zinc/45/99/10/821459910.db2.gz XIXZKOMMJCCGPV-GOSISDBHSA-N 1 0 384.549 4.041 20 0 GIADRO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)o1 ZINC000180798963 821464621 /nfs/dbraw/zinc/46/46/21/821464621.db2.gz BSBPJXTXEOEJHK-CQSZACIVSA-N 1 0 379.386 4.031 20 0 GIADRO C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000180799238 821464629 /nfs/dbraw/zinc/46/46/29/821464629.db2.gz NNLVDBFRRNXUAN-UJPJLTBQSA-N 1 0 380.504 4.063 20 0 GIADRO Cc1cccc([C@@H]([NH2+]Cc2ccc(S(=O)(=O)N3CCCC3)o2)C(C)(C)C)c1 ZINC000180799184 821464641 /nfs/dbraw/zinc/46/46/41/821464641.db2.gz OCCQQEJAWBLICL-HXUWFJFHSA-N 1 0 390.549 4.250 20 0 GIADRO CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+][C@@H](c2cccc(C)c2)C(C)(C)C)cc1 ZINC000180801019 821465909 /nfs/dbraw/zinc/46/59/09/821465909.db2.gz YNFIOSGIXTUQCO-UNMCSNQZSA-N 1 0 384.520 4.070 20 0 GIADRO CCc1ccc([C@@H](NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)C(C)C)cc1 ZINC000043864647 821476313 /nfs/dbraw/zinc/47/63/13/821476313.db2.gz MWFMHUQZIVSMSQ-QHCPKHFHSA-N 1 0 394.563 4.305 20 0 GIADRO Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC000180829777 821484541 /nfs/dbraw/zinc/48/45/41/821484541.db2.gz ZRJDANQVOPBXOJ-GFCCVEGCSA-N 1 0 396.716 4.485 20 0 GIADRO Cc1cc(NC(=O)N2CCC(CCC[NH+](C)C)CC2)nn1-c1ccc(C)cc1 ZINC000180834490 821486364 /nfs/dbraw/zinc/48/63/64/821486364.db2.gz RDKXTSBLIWMNKM-UHFFFAOYSA-N 1 0 383.540 4.075 20 0 GIADRO C[C@H](NC(=O)C[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1)c1ccc(Cl)cc1 ZINC000180836249 821487278 /nfs/dbraw/zinc/48/72/78/821487278.db2.gz AFSHQIFRTQJCSQ-HOTGVXAUSA-N 1 0 382.895 4.054 20 0 GIADRO C[C@H]([NH2+]CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1)c1ccc(-n2cccn2)cc1 ZINC000180838065 821488079 /nfs/dbraw/zinc/48/80/79/821488079.db2.gz UHPBZSLMPZLSQQ-HOTGVXAUSA-N 1 0 398.457 4.021 20 0 GIADRO C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000180846349 821492093 /nfs/dbraw/zinc/49/20/93/821492093.db2.gz WRELIRNPOQYMMH-INIZCTEOSA-N 1 0 395.528 4.477 20 0 GIADRO CC[C@H]1c2ccsc2CCN1C(=O)C[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000180846567 821492154 /nfs/dbraw/zinc/49/21/54/821492154.db2.gz UPGWBPHUFFHKLU-JXFKEZNVSA-N 1 0 394.544 4.120 20 0 GIADRO O=C(Nc1cccc(NC(=O)N2CC[NH+](C3CCCC3)CC2)c1)c1cccs1 ZINC000043980486 821498006 /nfs/dbraw/zinc/49/80/06/821498006.db2.gz WMYWQWOIAVWZMB-UHFFFAOYSA-N 1 0 398.532 4.093 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)N(C)Cc1sccc1C ZINC000043993420 821499325 /nfs/dbraw/zinc/49/93/25/821499325.db2.gz KRXIPPOVIHBDRY-UHFFFAOYSA-N 1 0 375.538 4.441 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1C ZINC000044048052 821511160 /nfs/dbraw/zinc/51/11/60/821511160.db2.gz DMFMNKRCJGTNLV-UHFFFAOYSA-N 1 0 394.519 4.261 20 0 GIADRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1Cl)c1ccc(-c2ccncc2)cc1 ZINC000180883370 821511369 /nfs/dbraw/zinc/51/13/69/821511369.db2.gz KYQIIVJTNNSBNA-UZLBHIALSA-N 1 0 382.891 4.493 20 0 GIADRO COc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(-c3ccncc3)cc2)c(OC)c1 ZINC000180884779 821512552 /nfs/dbraw/zinc/51/25/52/821512552.db2.gz PMGTXBHZRBQESP-MRXNPFEDSA-N 1 0 391.471 4.055 20 0 GIADRO CC(C)(C)Oc1ccccc1NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180884896 821512604 /nfs/dbraw/zinc/51/26/04/821512604.db2.gz UOVUJQMQBDBPJC-UHFFFAOYSA-N 1 0 382.508 4.297 20 0 GIADRO COc1sc(C[NH2+]Cc2ccc(OC(C)(C)C)nc2)cc1Br ZINC000180885713 821513293 /nfs/dbraw/zinc/51/32/93/821513293.db2.gz YNNIWJBQDNVZFS-UHFFFAOYSA-N 1 0 385.327 4.381 20 0 GIADRO COc1ccc([C@H](CNC(=S)N[C@@H](C)c2ccccc2)[NH+]2CCCC2)cc1 ZINC000044054572 821513431 /nfs/dbraw/zinc/51/34/31/821513431.db2.gz QKMUMLCFUUPWQN-UWJYYQICSA-N 1 0 383.561 4.057 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1)C(=O)Nc1ccc(Cl)cn1 ZINC000180886612 821514409 /nfs/dbraw/zinc/51/44/09/821514409.db2.gz RNHNHQVETKLKSN-LSDHHAIUSA-N 1 0 380.879 4.475 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000180886440 821514427 /nfs/dbraw/zinc/51/44/27/821514427.db2.gz YXJXPDVVBKFEGF-UHFFFAOYSA-N 1 0 381.904 4.222 20 0 GIADRO Cc1nc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(-c3ccncc3)cc2)sc1C ZINC000180886888 821514811 /nfs/dbraw/zinc/51/48/11/821514811.db2.gz HPPNASLGGWRQJE-CABCVRRESA-N 1 0 380.517 4.500 20 0 GIADRO COc1cc(Br)cc(C[NH2+]Cc2ccc(OC(C)(C)C)nc2)c1O ZINC000180888176 821515536 /nfs/dbraw/zinc/51/55/36/821515536.db2.gz SUQKMFRLYGNZNS-UHFFFAOYSA-N 1 0 395.297 4.025 20 0 GIADRO CC(C)c1nnc(NC(=O)C[NH2+][C@H](C)c2ccc(-c3ccncc3)cc2)s1 ZINC000180887524 821515559 /nfs/dbraw/zinc/51/55/59/821515559.db2.gz IGNOLPCVVBWDBO-CQSZACIVSA-N 1 0 381.505 4.013 20 0 GIADRO COc1cccc(CN(C)C(=O)C[NH2+][C@H](C)c2ccc(-c3ccncc3)cc2)c1 ZINC000180894250 821520663 /nfs/dbraw/zinc/52/06/63/821520663.db2.gz DAJVLGLIGLOKIY-GOSISDBHSA-N 1 0 389.499 4.066 20 0 GIADRO CCc1ccc([C@@H](CNC(=O)Nc2cccc(NC(=O)C3CC3)c2)[NH+](C)C)cc1 ZINC000044103037 821523735 /nfs/dbraw/zinc/52/37/35/821523735.db2.gz GFUJIGSPKSGXRO-OAQYLSRUSA-N 1 0 394.519 4.022 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1)C(=O)NCc1ccc(F)cc1 ZINC000180900506 821524742 /nfs/dbraw/zinc/52/47/42/821524742.db2.gz MHHNITMPLIOBMY-IRXDYDNUSA-N 1 0 377.463 4.243 20 0 GIADRO COc1cccc(CNC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(-c3ccncc3)cc2)c1 ZINC000180900643 821524987 /nfs/dbraw/zinc/52/49/87/821524987.db2.gz CSVZWBGFSIXFRB-QZTJIDSGSA-N 1 0 389.499 4.113 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CCc2nc(-c3cccc(Cl)c3)no2)c(OC)c1 ZINC000180901668 821525434 /nfs/dbraw/zinc/52/54/34/821525434.db2.gz BKLDNLFGFKUYGQ-ZDUSSCGKSA-N 1 0 387.867 4.301 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CCc2nc(-c3cccc(Cl)c3)no2)cc1F ZINC000180903215 821526494 /nfs/dbraw/zinc/52/64/94/821526494.db2.gz SFKYEKXWWWIAJQ-LBPRGKRZSA-N 1 0 375.831 4.431 20 0 GIADRO C[C@@H]([NH2+]CCc1nc(-c2cccc(Cl)c2)no1)c1ccc([S@@](C)=O)cc1 ZINC000180903059 821526703 /nfs/dbraw/zinc/52/67/03/821526703.db2.gz SGJMSWOCFLQJMA-ZBSNKRKSSA-N 1 0 389.908 4.021 20 0 GIADRO CC(C)n1nccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000180905480 821528257 /nfs/dbraw/zinc/52/82/57/821528257.db2.gz CYPRQKJNEWQNTC-IRXDYDNUSA-N 1 0 377.492 4.204 20 0 GIADRO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCc1nc2cc(F)ccc2n1C)CC3 ZINC000180907676 821529476 /nfs/dbraw/zinc/52/94/76/821529476.db2.gz LJLCNRWETWDQFQ-MRXNPFEDSA-N 1 0 376.479 4.192 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N(C)Cc1ccccc1F)c1ccc(-c2ccncc2)cc1 ZINC000180909577 821530589 /nfs/dbraw/zinc/53/05/89/821530589.db2.gz XLSQMZJPDFYCCG-QGZVFWFLSA-N 1 0 377.463 4.197 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N1CCC[C@H](C(F)(F)F)C1)c1ccc(-c2ccncc2)cc1 ZINC000180914279 821534172 /nfs/dbraw/zinc/53/41/72/821534172.db2.gz CEQNUBBOIPSNCW-BEFAXECRSA-N 1 0 391.437 4.200 20 0 GIADRO COc1ccccc1[C@H](C)NC(=O)C[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000180915835 821535331 /nfs/dbraw/zinc/53/53/31/821535331.db2.gz UTTMFLLAXDTBRW-ROUUACIJSA-N 1 0 389.499 4.285 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)COCc1ccccc1F)c1ccc(-c2ccncc2)cc1 ZINC000180916825 821536130 /nfs/dbraw/zinc/53/61/30/821536130.db2.gz QCZGVCYEPDDXKD-HTAPYJJXSA-N 1 0 380.463 4.116 20 0 GIADRO C[C@H](NC(=O)[C@@]1(C)CCCC[NH2+]1)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000180920139 821538646 /nfs/dbraw/zinc/53/86/46/821538646.db2.gz VGODEBPKNOJOQZ-KSFYIVLOSA-N 1 0 380.492 4.040 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc(-c2ccncc2)cc1)C(=O)N1CCc2sccc2C1 ZINC000180930360 821544039 /nfs/dbraw/zinc/54/40/39/821544039.db2.gz LSRYZYLJLZVTKI-IAGOWNOFSA-N 1 0 391.540 4.434 20 0 GIADRO CCc1nc2ccccc2n1C1CC[NH+]([C@H](C(=O)N(C)C)c2ccccc2)CC1 ZINC000180963188 821559284 /nfs/dbraw/zinc/55/92/84/821559284.db2.gz DNMFDZVBKJZJNZ-QHCPKHFHSA-N 1 0 390.531 4.065 20 0 GIADRO CN(Cc1ccccc1Br)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000044292506 821561046 /nfs/dbraw/zinc/56/10/46/821561046.db2.gz XWCIDUDKBGJEKE-UHFFFAOYSA-N 1 0 376.298 4.175 20 0 GIADRO COc1ccc(C(=O)N2CCC([NH2+][C@H](C)[C@@H](C)c3ccccc3)CC2)cc1OC ZINC000180971649 821564921 /nfs/dbraw/zinc/56/49/21/821564921.db2.gz OPTVEZCKDDLGTE-QZTJIDSGSA-N 1 0 396.531 4.090 20 0 GIADRO COc1ccc([C@H](CNC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)[NH+]2CCCC2)cc1 ZINC000044308841 821565397 /nfs/dbraw/zinc/56/53/97/821565397.db2.gz JAQRXVPZWOAVQX-AOIWGVFYSA-N 1 0 398.469 4.317 20 0 GIADRO Cc1coc(-c2cccc(NC(=O)NCC3CCN(c4cc[nH+]cc4)CC3)c2)n1 ZINC000180972503 821565582 /nfs/dbraw/zinc/56/55/82/821565582.db2.gz JNZNQYBJBBNFJS-UHFFFAOYSA-N 1 0 391.475 4.083 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)Nc2cccc(OCC(F)(F)F)c2)cc1 ZINC000044310262 821567120 /nfs/dbraw/zinc/56/71/20/821567120.db2.gz NKYOTXNMZZOGAJ-UHFFFAOYSA-N 1 0 381.398 4.011 20 0 GIADRO COc1ccc(NC(=O)NC2CC[NH+](C(C)C)CC2)cc1OC1CCCC1 ZINC000044335495 821572746 /nfs/dbraw/zinc/57/27/46/821572746.db2.gz AAACZEAQIUZDQZ-UHFFFAOYSA-N 1 0 375.513 4.011 20 0 GIADRO CCn1c2ccccc2nc1[C@H](C)[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000180994680 821581922 /nfs/dbraw/zinc/58/19/22/821581922.db2.gz UEDKJICCGFXCTH-HOTGVXAUSA-N 1 0 378.476 4.425 20 0 GIADRO Cc1ccc(-c2ccc(CNCc3ccccc3C[N@@H+]3CC[C@@H](O)C3)o2)cc1 ZINC000180996873 821582903 /nfs/dbraw/zinc/58/29/03/821582903.db2.gz RJZRXGFUANYPPF-JOCHJYFZSA-N 1 0 376.500 4.111 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1ccc(-n2cc(C)cn2)cc1 ZINC000044410426 821585303 /nfs/dbraw/zinc/58/53/03/821585303.db2.gz BXRLVHAUDJPVRV-UHFFFAOYSA-N 1 0 392.503 4.154 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(F)c(N3CCCCC3)c(F)c2)[C@H](C)C1 ZINC000181004053 821587458 /nfs/dbraw/zinc/58/74/58/821587458.db2.gz DZKUIGKRIIPIQP-DNVCBOLYSA-N 1 0 394.510 4.149 20 0 GIADRO COc1cc([C@H](C)[NH2+]CCc2nc(-c3ccccn3)cs2)cc(OC)c1OC ZINC000181011609 821592059 /nfs/dbraw/zinc/59/20/59/821592059.db2.gz UMRLKNALUPDXNQ-AWEZNQCLSA-N 1 0 399.516 4.124 20 0 GIADRO Cc1ccccc1C[N@H+]1CCCN(C(=O)c2cc(C(C)C)n(C(C)(C)C)n2)CC1 ZINC000044507181 821596975 /nfs/dbraw/zinc/59/69/75/821596975.db2.gz GYXGRLMKAAIFSI-UHFFFAOYSA-N 1 0 396.579 4.418 20 0 GIADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000044507323 821597144 /nfs/dbraw/zinc/59/71/44/821597144.db2.gz BJEBLYKAAMNOGV-MJGOQNOKSA-N 1 0 382.470 4.398 20 0 GIADRO CC(C)C(=O)NCCC[NH2+][C@@H](c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000181023248 821598209 /nfs/dbraw/zinc/59/82/09/821598209.db2.gz SGVCAWGUIDLCOE-IBGZPJMESA-N 1 0 376.447 4.129 20 0 GIADRO CC(C)C(=O)NCCC[NH2+][C@H](c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000181023270 821598286 /nfs/dbraw/zinc/59/82/86/821598286.db2.gz SGVCAWGUIDLCOE-LJQANCHMSA-N 1 0 376.447 4.129 20 0 GIADRO O=S1(=O)CCC(C[NH2+][C@H](c2ccccc2Cl)c2cc(F)ccc2F)CC1 ZINC000181024126 821599015 /nfs/dbraw/zinc/59/90/15/821599015.db2.gz JISZUWDEGKPWPX-LJQANCHMSA-N 1 0 399.890 4.122 20 0 GIADRO Cc1c(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)oc2c1C(=O)CCC2 ZINC000044552629 821607638 /nfs/dbraw/zinc/60/76/38/821607638.db2.gz GFIGKAQVBWSNIF-INIZCTEOSA-N 1 0 394.515 4.269 20 0 GIADRO Cc1ccc(O)c(C[NH2+][C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)c1 ZINC000181059305 821614275 /nfs/dbraw/zinc/61/42/75/821614275.db2.gz PAHYGAGCXBAKGK-GOSISDBHSA-N 1 0 392.421 4.000 20 0 GIADRO C[C@@H](c1nc2ccccc2o1)[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000181064264 821615633 /nfs/dbraw/zinc/61/56/33/821615633.db2.gz YMDOVORFWXWNEO-AWEZNQCLSA-N 1 0 375.432 4.213 20 0 GIADRO COc1ccc2ccccc2c1-c1cc(C[N@@H+]2CCC[C@H](C3OCCO3)C2)on1 ZINC000181073750 821619005 /nfs/dbraw/zinc/61/90/05/821619005.db2.gz KBDFEQKULGNGSR-KRWDZBQOSA-N 1 0 394.471 4.088 20 0 GIADRO Cc1ccoc1C(=O)NCCC[NH2+][C@H](C)c1cnn(-c2cc(C)ccc2C)c1C ZINC000181074810 821619775 /nfs/dbraw/zinc/61/97/75/821619775.db2.gz WUZACUUXUSFFMK-GOSISDBHSA-N 1 0 394.519 4.170 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)c1c(F)cccc1F)c1ccc(OCC(F)(F)F)cc1 ZINC000181104844 821634523 /nfs/dbraw/zinc/63/45/23/821634523.db2.gz OFKMZDHWMCFBGE-MEDUHNTESA-N 1 0 375.337 4.290 20 0 GIADRO CS(=O)(=O)C1CCC([NH2+][C@@H]2CCCOc3c(Cl)c(Cl)ccc32)CC1 ZINC000181125420 821648184 /nfs/dbraw/zinc/64/81/84/821648184.db2.gz NLZUACPUMYVEMR-KOHJWAIASA-N 1 0 392.348 4.153 20 0 GIADRO C[NH+](C)Cc1cc(CNC(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)ccc1F ZINC000181125195 821648524 /nfs/dbraw/zinc/64/85/24/821648524.db2.gz UOHBXVBGAHSDOL-UHFFFAOYSA-N 1 0 391.397 4.023 20 0 GIADRO Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000044735650 821650236 /nfs/dbraw/zinc/65/02/36/821650236.db2.gz GGEOBWRZIXCNQC-UHFFFAOYSA-N 1 0 391.515 4.125 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N(C)CC(F)(F)F)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000181139250 821658368 /nfs/dbraw/zinc/65/83/68/821658368.db2.gz YDWLGDUHYDOEFS-CQSZACIVSA-N 1 0 398.400 4.076 20 0 GIADRO N#Cc1ccc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)c(Br)c1 ZINC000181140722 821658919 /nfs/dbraw/zinc/65/89/19/821658919.db2.gz XNZPTHYBVWRTAK-DOTOQJQBSA-N 1 0 391.334 4.470 20 0 GIADRO N#Cc1ccc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)c(Br)c1 ZINC000181140776 821659610 /nfs/dbraw/zinc/65/96/10/821659610.db2.gz XNZPTHYBVWRTAK-WBVHZDCISA-N 1 0 391.334 4.470 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc(OC(F)F)cc1)C(=O)NCc1ccccc1Cl ZINC000044803111 821665248 /nfs/dbraw/zinc/66/52/48/821665248.db2.gz PQJWDOQPVYNAJP-STQMWFEESA-N 1 0 382.838 4.297 20 0 GIADRO C[C@@H](c1nc2ccccc2o1)[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000181157507 821669189 /nfs/dbraw/zinc/66/91/89/821669189.db2.gz YJLTXPYPDAKLFN-KBPBESRZSA-N 1 0 384.867 4.288 20 0 GIADRO CSC1(C[NH2+][C@H](C)c2ccc(OC[C@@H]3CCCCO3)c(F)c2)CCOCC1 ZINC000181158064 821670205 /nfs/dbraw/zinc/67/02/05/821670205.db2.gz ZGSXFCXCJGVCAR-AEFFLSMTSA-N 1 0 397.556 4.336 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCc1ccc2[nH]ccc2c1 ZINC000181162006 821672426 /nfs/dbraw/zinc/67/24/26/821672426.db2.gz RZRJIMNMWFJDOV-QFIPXVFZSA-N 1 0 389.543 4.471 20 0 GIADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](c2ccc(Cl)cc2)[C@H]2C[C@@H]2C)cc1 ZINC000181164095 821673887 /nfs/dbraw/zinc/67/38/87/821673887.db2.gz MHDOBJGJCNBNFB-WZBLMQSHSA-N 1 0 392.952 4.296 20 0 GIADRO COc1ccc(O[C@H](C)C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000044876486 821675507 /nfs/dbraw/zinc/67/55/07/821675507.db2.gz JBUUBWMKUKVKBO-LJQANCHMSA-N 1 0 396.531 4.011 20 0 GIADRO C[C@@H](OC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1nc(-c2cccnc2)no1 ZINC000044925972 821681483 /nfs/dbraw/zinc/68/14/83/821681483.db2.gz WWAODBCXWOFIGB-MRXNPFEDSA-N 1 0 392.459 4.036 20 0 GIADRO CCOc1ccc(CC[NH2+][C@H](C)c2cnc3cc(C)nn3c2C)cc1OCC ZINC000181187660 821684782 /nfs/dbraw/zinc/68/47/82/821684782.db2.gz XSNIQWLGSBFLFA-MRXNPFEDSA-N 1 0 382.508 4.037 20 0 GIADRO COc1ccc(NC(=O)C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)cc1Cl ZINC000181192679 821688364 /nfs/dbraw/zinc/68/83/64/821688364.db2.gz MSDCRZLAIKBVFI-KXBFYZLASA-N 1 0 388.895 4.045 20 0 GIADRO COc1cc([C@@H](C)[NH2+]C[C@H](OC)c2cccc(Cl)c2)cc(OC)c1OC ZINC000181197718 821691992 /nfs/dbraw/zinc/69/19/92/821691992.db2.gz KCFAZCPAODPRBC-YJYMSZOUSA-N 1 0 379.884 4.404 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)CCc2ccc3[nH]ccc3c2)CC1 ZINC000181205080 821696186 /nfs/dbraw/zinc/69/61/86/821696186.db2.gz GVOXBDMRQULAND-UHFFFAOYSA-N 1 0 375.516 4.224 20 0 GIADRO CCc1cc2c(C[NH2+][C@H](C[C@@H]3CCOC3)c3ccccc3)cc(=O)oc2cc1O ZINC000181209134 821698324 /nfs/dbraw/zinc/69/83/24/821698324.db2.gz DIZQYGSTWSXTHQ-HRAATJIYSA-N 1 0 393.483 4.319 20 0 GIADRO Cc1c(O)ccc2c(C[NH2+][C@H](C[C@H]3CCOC3)c3ccccc3)cc(=O)oc12 ZINC000181209275 821698392 /nfs/dbraw/zinc/69/83/92/821698392.db2.gz APVNNBKITQBEHC-OXQOHEQNSA-N 1 0 379.456 4.065 20 0 GIADRO O=C(C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1)Nc1cc(Cl)ccc1F ZINC000181216418 821702807 /nfs/dbraw/zinc/70/28/07/821702807.db2.gz KZTVOOSMBVDFMH-RDTXWAMCSA-N 1 0 376.859 4.175 20 0 GIADRO COCc1ccsc1C(=O)Nc1cc(C[NH+]2CCSCC2)ccc1C ZINC000181237088 821713007 /nfs/dbraw/zinc/71/30/07/821713007.db2.gz WVMXVRFUXNNSQN-UHFFFAOYSA-N 1 0 376.547 4.004 20 0 GIADRO C[S@](=O)c1ccc(C[NH2+][C@@H]2CCCOc3cc(Br)ccc32)cc1 ZINC000181246035 821717071 /nfs/dbraw/zinc/71/70/71/821717071.db2.gz FFKKRVOJLPEKHV-HXOBKFHXSA-N 1 0 394.334 4.190 20 0 GIADRO Cc1cc2ncc([C@@H](C)[NH2+][C@@H]3CCN(c4ccc(F)c(Cl)c4)C3)c(C)n2n1 ZINC000181249051 821717667 /nfs/dbraw/zinc/71/76/67/821717667.db2.gz RIJBKMJQXIZOOC-UKRRQHHQSA-N 1 0 387.890 4.068 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+][C@H]2CCN(c3ccc(F)c(Cl)c3)C2)s1 ZINC000181251093 821718926 /nfs/dbraw/zinc/71/89/26/821718926.db2.gz RQXRUSHVCGPGDO-OCCSQVGLSA-N 1 0 397.947 4.362 20 0 GIADRO C[C@@H]([NH2+][C@H]1CC(C)(C)OC1(C)C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000181260998 821722322 /nfs/dbraw/zinc/72/23/22/821722322.db2.gz WAYLHPIXFFIRBJ-BEFAXECRSA-N 1 0 379.566 4.400 20 0 GIADRO CCOc1ccccc1[C@H](CC(C)C)[NH2+]Cc1cc(=O)n2cccc(C)c2n1 ZINC000181267905 821725134 /nfs/dbraw/zinc/72/51/34/821725134.db2.gz VJHZYEXNOSRUOD-FQEVSTJZSA-N 1 0 379.504 4.279 20 0 GIADRO C[C@H]([NH2+]CCOc1ccc(F)cc1Cl)c1ccc(N2CCOC2=O)cc1 ZINC000181268413 821725535 /nfs/dbraw/zinc/72/55/35/821725535.db2.gz JEQOTZRKJYQJJM-ZDUSSCGKSA-N 1 0 378.831 4.165 20 0 GIADRO CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@@H](C)c2sc(C)nc2C)cc1 ZINC000181279007 821731676 /nfs/dbraw/zinc/73/16/76/821731676.db2.gz SIBNVBKHBVBKSF-GJZGRUSLSA-N 1 0 389.565 4.467 20 0 GIADRO CCOc1ccc([C@@H](C)NC(=O)CCC[NH2+][C@@H](C)c2ccc(Cl)nc2)cc1 ZINC000181279590 821731754 /nfs/dbraw/zinc/73/17/54/821731754.db2.gz PFWJUKOCOFTMPX-JKSUJKDBSA-N 1 0 389.927 4.442 20 0 GIADRO COc1ccccc1NC(=O)C[C@H](C)[NH2+]CCc1ccccc1OC(F)(F)F ZINC000181281409 821732385 /nfs/dbraw/zinc/73/23/85/821732385.db2.gz UVXDSCFQWYREBP-AWEZNQCLSA-N 1 0 396.409 4.143 20 0 GIADRO CC(C)c1cccc(NC(=O)C[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)c1 ZINC000181281823 821733217 /nfs/dbraw/zinc/73/32/17/821733217.db2.gz JTQZLFOSFQFDFT-MRXNPFEDSA-N 1 0 381.476 4.056 20 0 GIADRO COc1cccc([C@@H]2[C@@H]([NH2+][C@@H](C)c3cccc(NC(C)=O)c3)CCN2C2CC2)c1 ZINC000181282482 821733777 /nfs/dbraw/zinc/73/37/77/821733777.db2.gz AUWDWVYNEYUIAI-VVMYJBMMSA-N 1 0 393.531 4.282 20 0 GIADRO C[C@H]([NH2+]CC(=O)NCc1ccc(Cl)s1)c1ccc(-c2cccnc2)cc1 ZINC000181291660 821738623 /nfs/dbraw/zinc/73/86/23/821738623.db2.gz RDMGBXNLLPXSFC-AWEZNQCLSA-N 1 0 385.920 4.431 20 0 GIADRO C[C@H]([NH2+][C@H]1CCN(c2c(F)cccc2F)C1=O)c1ccc(-c2cccnc2)cc1 ZINC000181291491 821738717 /nfs/dbraw/zinc/73/87/17/821738717.db2.gz FKUDSJVOYSVWMR-BTYIYWSLSA-N 1 0 393.437 4.483 20 0 GIADRO CCC[C@H]([NH2+][C@H]1CCc2nc(COC)nn2C1)c1ccc(Cl)c(Cl)c1 ZINC000181295498 821740736 /nfs/dbraw/zinc/74/07/36/821740736.db2.gz YDWQHRBJTKBZBX-BBRMVZONSA-N 1 0 383.323 4.177 20 0 GIADRO Cc1cc(C)c(-c2csc(NC(=O)C[NH2+][C@H](C)c3cccnc3)n2)c(C)c1 ZINC000181296587 821741366 /nfs/dbraw/zinc/74/13/66/821741366.db2.gz NFVREOBMUKQONM-MRXNPFEDSA-N 1 0 380.517 4.420 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCN(c2ccccc2F)C1=O)c1ccc(-c2cccnc2)cc1 ZINC000181296815 821741545 /nfs/dbraw/zinc/74/15/45/821741545.db2.gz AZRQQNWVGPRPAD-IERDGZPVSA-N 1 0 375.447 4.344 20 0 GIADRO COCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1Cl)CC2 ZINC000181297933 821742178 /nfs/dbraw/zinc/74/21/78/821742178.db2.gz DVVBQZPTZPCNJN-VHSXEESVSA-N 1 0 389.714 4.050 20 0 GIADRO CC(C)n1nccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000181301333 821743223 /nfs/dbraw/zinc/74/32/23/821743223.db2.gz MMYVJTBZZXVQJU-IRXDYDNUSA-N 1 0 377.492 4.204 20 0 GIADRO C[C@H](Cc1ccccc1Br)[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000181308940 821747922 /nfs/dbraw/zinc/74/79/22/821747922.db2.gz OJBXPMJVNBVUSU-QLEMLULZSA-N 1 0 380.351 4.468 20 0 GIADRO CCc1nc(NC(=O)C[NH2+][C@@H](C)c2ccc(-c3cccnc3)cc2)sc1C ZINC000181311504 821749811 /nfs/dbraw/zinc/74/98/11/821749811.db2.gz AFVZSJWCLVGRSB-AWEZNQCLSA-N 1 0 380.517 4.365 20 0 GIADRO CC(C)C[C@H](CNC(=O)c1ccc(Br)cc1C(F)(F)F)[NH+](C)C ZINC000181313939 821752846 /nfs/dbraw/zinc/75/28/46/821752846.db2.gz JULNJZRPIWPXHI-GFCCVEGCSA-N 1 0 395.263 4.174 20 0 GIADRO CC(C)c1cccc(NC(=O)C[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)c1 ZINC000181315297 821753362 /nfs/dbraw/zinc/75/33/62/821753362.db2.gz WZDNTCNINNNQTB-MRXNPFEDSA-N 1 0 381.476 4.056 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)COc1cccc2[nH]ccc21)c1ccc(-c2cccnc2)cc1 ZINC000181324037 821758796 /nfs/dbraw/zinc/75/87/96/821758796.db2.gz VKLOXVRUTYUHDO-LAUBAEHRSA-N 1 0 387.483 4.320 20 0 GIADRO COc1ccc(-n2nc(C(=O)Nc3ccc(C[NH+]4CCCC4)cc3)cc2C)cc1 ZINC000181327365 821761423 /nfs/dbraw/zinc/76/14/23/821761423.db2.gz DWHYIABZANGLIH-UHFFFAOYSA-N 1 0 390.487 4.037 20 0 GIADRO COc1ccc([C@@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)C(F)(F)F)cc1 ZINC000181328240 821761917 /nfs/dbraw/zinc/76/19/17/821761917.db2.gz GUTJKTCLEYEISM-LJQANCHMSA-N 1 0 392.421 4.324 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@H]2CCCOc3c(F)cccc32)cc(OC)c1OC ZINC000181328263 821761960 /nfs/dbraw/zinc/76/19/60/821761960.db2.gz AUFYRHNDCCEISF-GUYCJALGSA-N 1 0 375.440 4.416 20 0 GIADRO COc1cccc2[nH]cc(CC[NH2+][C@H](Cc3ccccc3[N+](=O)[O-])C3CC3)c21 ZINC000181333295 821765305 /nfs/dbraw/zinc/76/53/05/821765305.db2.gz DGHRZYGCEGSNQH-LJQANCHMSA-N 1 0 379.460 4.238 20 0 GIADRO CCNC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2sc(-c3ccc(Cl)cc3)nc2C)C1 ZINC000181335389 821767121 /nfs/dbraw/zinc/76/71/21/821767121.db2.gz JCUKFGFATJVYQN-BLLLJJGKSA-N 1 0 392.956 4.226 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+]CCOc2ncc(Cl)cc2Cl)s1 ZINC000181341890 821773073 /nfs/dbraw/zinc/77/30/73/821773073.db2.gz LHUBTALBHITNDG-JTQLQIEISA-N 1 0 390.336 4.072 20 0 GIADRO CC(C)CNC(=O)c1cccc(C[NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)c1 ZINC000181347916 821777712 /nfs/dbraw/zinc/77/77/12/821777712.db2.gz RSRDFNZXJQCQKQ-GOSISDBHSA-N 1 0 393.531 4.050 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+]CCNc2cccc(Br)c2)s1 ZINC000181358995 821785976 /nfs/dbraw/zinc/78/59/76/821785976.db2.gz XIGXCCYSMGQAEA-GFCCVEGCSA-N 1 0 398.370 4.166 20 0 GIADRO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cc3c(cc2Cl)OCCCO3)cc1F ZINC000181361060 821787217 /nfs/dbraw/zinc/78/72/17/821787217.db2.gz XVXRDEMHIRFQCF-CYBMUJFWSA-N 1 0 392.858 4.238 20 0 GIADRO O=C(Nc1ccc(Br)c2ccccc12)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000181364268 821788865 /nfs/dbraw/zinc/78/88/65/821788865.db2.gz VETYEXYBYNSDRY-CQSZACIVSA-N 1 0 386.293 4.080 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+][C@@H](c2ccc3c(c2)OCCO3)C(C)C)s1 ZINC000181371929 821792822 /nfs/dbraw/zinc/79/28/22/821792822.db2.gz TYGVTAZMRXXSRI-MGPUTAFESA-N 1 0 390.549 4.460 20 0 GIADRO COc1ccc(C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)cc1Cl ZINC000181383030 821797513 /nfs/dbraw/zinc/79/75/13/821797513.db2.gz XYYOSLIXXAUKQK-UHFFFAOYSA-N 1 0 393.314 4.396 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+]Cc2cc(Br)cs2)s1 ZINC000181383586 821798220 /nfs/dbraw/zinc/79/82/20/821798220.db2.gz RIWJTZGMRCCKPF-SECBINFHSA-N 1 0 375.357 4.315 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+]CCc2ccc(OC(F)(F)F)cc2)s1 ZINC000181383259 821798301 /nfs/dbraw/zinc/79/83/01/821798301.db2.gz YGWNOFRPWWTBLG-LBPRGKRZSA-N 1 0 388.455 4.432 20 0 GIADRO Cc1cc(C)c(NC(=O)C[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)c(Cl)c1 ZINC000181389644 821801400 /nfs/dbraw/zinc/80/14/00/821801400.db2.gz WGHVKNWDGJOSGJ-INIZCTEOSA-N 1 0 399.922 4.373 20 0 GIADRO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H](CO)c1cccc(Br)c1 ZINC000181393098 821802983 /nfs/dbraw/zinc/80/29/83/821802983.db2.gz GGHDPGYSGSQXIY-RBUKOAKNSA-N 1 0 376.294 4.158 20 0 GIADRO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181394497 821804237 /nfs/dbraw/zinc/80/42/37/821804237.db2.gz YOOJGIGLFKMPRM-JKSUJKDBSA-N 1 0 399.922 4.453 20 0 GIADRO Cc1cc(Cl)ccc1NC(=O)C[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181411443 821811283 /nfs/dbraw/zinc/81/12/83/821811283.db2.gz HAWFIWLKQYCDPZ-HNNXBMFYSA-N 1 0 385.895 4.065 20 0 GIADRO C[N@@H+]1CCCN(C(=O)Nc2ccc(OC(F)F)c(Cc3ccccc3)c2)CC1 ZINC000181416359 821814475 /nfs/dbraw/zinc/81/44/75/821814475.db2.gz PELALHPQIUACEW-UHFFFAOYSA-N 1 0 389.446 4.048 20 0 GIADRO Cc1ccc(C)c(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)c1 ZINC000181416887 821814524 /nfs/dbraw/zinc/81/45/24/821814524.db2.gz NQTMJWFSBPVVNN-ROUUACIJSA-N 1 0 379.504 4.108 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+][C@@H]2CCCN(c3ccc(F)cc3C)C2)s1 ZINC000181421701 821818133 /nfs/dbraw/zinc/81/81/33/821818133.db2.gz SPSQWSBZUMDJTE-MAUKXSAKSA-N 1 0 391.556 4.408 20 0 GIADRO COc1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@H](C)Cc2cc(C)n[nH]2)CCC3)cc1 ZINC000181424058 821819700 /nfs/dbraw/zinc/81/97/00/821819700.db2.gz MVZOILDHWPCKHF-ACJLOTCBSA-N 1 0 382.533 4.448 20 0 GIADRO COc1ccc(C[C@@H]([NH2+][C@@H](C)Cc2cc(C)n[nH]2)c2ccc(OC)cc2)cc1 ZINC000181424851 821820048 /nfs/dbraw/zinc/82/00/48/821820048.db2.gz MBHUVXXVNCOVMZ-QMHKHESXSA-N 1 0 379.504 4.240 20 0 GIADRO Cc1cc2oc(=O)cc(C[NH2+][C@@H](C)c3cccc(N4CCCC4=O)c3)c2cc1C ZINC000181426681 821820704 /nfs/dbraw/zinc/82/07/04/821820704.db2.gz AITNGYWACKWPMZ-KRWDZBQOSA-N 1 0 390.483 4.387 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)s1 ZINC000181431906 821823325 /nfs/dbraw/zinc/82/33/25/821823325.db2.gz FATOSBCDZMBIHO-MBOZVWFJSA-N 1 0 387.593 4.344 20 0 GIADRO Cc1sc(NC(=O)C[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)c(C)c1C ZINC000181439734 821827529 /nfs/dbraw/zinc/82/75/29/821827529.db2.gz GOGZZDBIEVRHBJ-HNNXBMFYSA-N 1 0 385.533 4.089 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)cc1Br ZINC000181447340 821830609 /nfs/dbraw/zinc/83/06/09/821830609.db2.gz UDKYVEDFDFSQLT-SUYBPPKGSA-N 1 0 386.355 4.163 20 0 GIADRO Fc1cccc(Cl)c1CN1CCC([NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)CC1 ZINC000181455576 821833617 /nfs/dbraw/zinc/83/36/17/821833617.db2.gz DBMNCDRFKWMBGA-UZLBHIALSA-N 1 0 398.975 4.088 20 0 GIADRO CC[NH+](CC)CCCC1CCN(Cn2nc(-c3ccncc3)oc2=S)CC1 ZINC000181455591 821834201 /nfs/dbraw/zinc/83/42/01/821834201.db2.gz OJFNUGACPZUNPY-UHFFFAOYSA-N 1 0 389.569 4.059 20 0 GIADRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(Br)cc2N2CCOCC2)o1 ZINC000181457922 821834938 /nfs/dbraw/zinc/83/49/38/821834938.db2.gz AANOJZQRODPLBZ-AWEZNQCLSA-N 1 0 379.298 4.038 20 0 GIADRO CC[NH+](CC)CCCC1CCN(Cn2nc(-c3ccco3)n(C)c2=S)CC1 ZINC000181458768 821835364 /nfs/dbraw/zinc/83/53/64/821835364.db2.gz IFMODUQDMUECGP-UHFFFAOYSA-N 1 0 391.585 4.003 20 0 GIADRO CCc1ccc([C@H](C)[NH2+]Cc2ccc(Br)cc2N2CCOCC2)o1 ZINC000181459048 821835495 /nfs/dbraw/zinc/83/54/95/821835495.db2.gz ZNPPXHHWMKZRLO-AWEZNQCLSA-N 1 0 393.325 4.292 20 0 GIADRO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]Cc1ccn(C2CCCC2)n1 ZINC000181476909 821843426 /nfs/dbraw/zinc/84/34/26/821843426.db2.gz ZSTHJYIURYZYGE-INIZCTEOSA-N 1 0 388.943 4.178 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[NH2+][C@H](c2ccccc2F)C2CCCC2)c1 ZINC000181492066 821851155 /nfs/dbraw/zinc/85/11/55/821851155.db2.gz FYHLLOHLOPPOLD-QFIPXVFZSA-N 1 0 386.467 4.303 20 0 GIADRO C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)[N@H+](C)CCc1ccncc1 ZINC000181495502 821852629 /nfs/dbraw/zinc/85/26/29/821852629.db2.gz LFZRTFWAUZWJKN-GOSISDBHSA-N 1 0 375.472 4.375 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+]C2CCN(C(=O)c3ccccc3F)CC2)C12CCCCC2 ZINC000181496978 821853736 /nfs/dbraw/zinc/85/37/36/821853736.db2.gz JVMKQBBZRLFCAV-LEWJYISDSA-N 1 0 388.527 4.148 20 0 GIADRO CCCCO[C@@H]1C[C@H]([NH2+]C2CCN(C(=O)c3ccccc3F)CC2)C1(C)C ZINC000181497065 821854358 /nfs/dbraw/zinc/85/43/58/821854358.db2.gz MXIRZDGXTHGBHS-VQTJNVASSA-N 1 0 376.516 4.004 20 0 GIADRO C[C@H](NC(=O)CCCc1nc2ccccc2s1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181498682 821854891 /nfs/dbraw/zinc/85/48/91/821854891.db2.gz IFFCIOJIHKRBMH-IRXDYDNUSA-N 1 0 385.577 4.388 20 0 GIADRO C[C@H](NC(=O)c1csc(-c2cccs2)n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181499649 821855549 /nfs/dbraw/zinc/85/55/49/821855549.db2.gz IYWZQMTYCQKVRK-KBPBESRZSA-N 1 0 375.563 4.254 20 0 GIADRO Clc1ccccc1[C@H](C[NH2+]Cc1cccc2cnccc21)N1CCOCC1 ZINC000181503063 821856738 /nfs/dbraw/zinc/85/67/38/821856738.db2.gz OQAYHJFCVHEEFS-QFIPXVFZSA-N 1 0 381.907 4.051 20 0 GIADRO COc1ccc([C@H](C)[NH2+]C2CCN(c3ccccn3)CC2)c(Br)c1 ZINC000181505345 821856967 /nfs/dbraw/zinc/85/69/67/821856967.db2.gz BGLKKWMOIVJHMW-AWEZNQCLSA-N 1 0 390.325 4.172 20 0 GIADRO COc1ccc([C@H]2CCCCCN2C(=O)C[NH2+][C@H](C)c2cccc(O)c2)cc1 ZINC000181507897 821859079 /nfs/dbraw/zinc/85/90/79/821859079.db2.gz MBNQXUFSJAZEFN-VGOFRKELSA-N 1 0 382.504 4.195 20 0 GIADRO COc1ccc(NC(=O)C[C@H](C)[NH2+]CC2(Cc3ccccc3)CC2)c(OC)c1 ZINC000181508875 821859389 /nfs/dbraw/zinc/85/93/89/821859389.db2.gz NGVPFWLIBOMNEG-KRWDZBQOSA-N 1 0 382.504 4.033 20 0 GIADRO CC(C)[C@@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc(C(F)(F)F)cc1 ZINC000181511156 821861134 /nfs/dbraw/zinc/86/11/34/821861134.db2.gz RTIHUFOTGZWSKG-ZIAGYGMSSA-N 1 0 382.348 4.155 20 0 GIADRO Cc1cc(C)n(-c2ccc(C(=O)N[C@@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)cc2F)n1 ZINC000181530087 821867852 /nfs/dbraw/zinc/86/78/52/821867852.db2.gz ABTXQAVBPKWBGM-HKUYNNGSSA-N 1 0 398.526 4.011 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@H](C)Cc2cc(C)nn2-c2ccccc2)cc1OC ZINC000181530237 821868613 /nfs/dbraw/zinc/86/86/13/821868613.db2.gz NWEYYQOJMCINEP-SJLPKXTDSA-N 1 0 379.504 4.480 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+][C@@H](C)Cc2cc(C)nn2-c2ccccc2)s1 ZINC000181531745 821869915 /nfs/dbraw/zinc/86/99/15/821869915.db2.gz GJYMOYUGOYOASW-RDJZCZTQSA-N 1 0 398.576 4.416 20 0 GIADRO C[C@@H](NC(=O)CSCc1cccc(Cl)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181533306 821870799 /nfs/dbraw/zinc/87/07/99/821870799.db2.gz BBOIOMMTBUHDES-WBVHZDCISA-N 1 0 380.985 4.342 20 0 GIADRO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000181536790 821871942 /nfs/dbraw/zinc/87/19/42/821871942.db2.gz WALHOHQOSXSKRX-BLLLJJGKSA-N 1 0 395.425 4.081 20 0 GIADRO Cc1cc(C(=O)CCC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(C)s1 ZINC000181543450 821874637 /nfs/dbraw/zinc/87/46/37/821874637.db2.gz RCVCYIVFTLEJEH-WBVHZDCISA-N 1 0 376.566 4.097 20 0 GIADRO Cc1cc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)nn1-c1ccc(C)cc1 ZINC000181548598 821876317 /nfs/dbraw/zinc/87/63/17/821876317.db2.gz HXACONNURRFYLL-UHFFFAOYSA-N 1 0 380.536 4.016 20 0 GIADRO Cc1c(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cnn1-c1cc(C)ccc1C ZINC000181549099 821877001 /nfs/dbraw/zinc/87/70/01/821877001.db2.gz POAICJKSLKQRQO-ICSRJNTNSA-N 1 0 394.563 4.180 20 0 GIADRO CC[C@H]([NH2+]C[C@@H](O)c1ccccc1Br)c1cccc([N+](=O)[O-])c1 ZINC000181549356 821877584 /nfs/dbraw/zinc/87/75/84/821877584.db2.gz AJCCOAZJAXWJNQ-DLBZAZTESA-N 1 0 379.254 4.132 20 0 GIADRO COc1ccccc1COC1CC[NH+](Cc2cn(C)nc2-c2ccccc2)CC1 ZINC000181551367 821877773 /nfs/dbraw/zinc/87/77/73/821877773.db2.gz BLSNDGCWRCNTRF-UHFFFAOYSA-N 1 0 391.515 4.277 20 0 GIADRO Cc1ccc([C@H](NC(=O)C[NH2+][C@@H](C)c2cccc(O)c2)c2cccs2)cc1 ZINC000181562549 821882251 /nfs/dbraw/zinc/88/22/51/821882251.db2.gz MHPAUGVEAYFGBL-AOMKIAJQSA-N 1 0 380.513 4.319 20 0 GIADRO C[C@@H]([NH2+]CCC(=O)Nc1cc(N)ccc1F)c1ccc(OCC2CC2)c(F)c1 ZINC000181574687 821885733 /nfs/dbraw/zinc/88/57/33/821885733.db2.gz BAFPZQFENWMHSW-CYBMUJFWSA-N 1 0 389.446 4.015 20 0 GIADRO Cc1c(NC(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)cccc1C(=O)Nc1ccccc1 ZINC000181577799 821886297 /nfs/dbraw/zinc/88/62/97/821886297.db2.gz ZSPDTHGXODTUML-OAQYLSRUSA-N 1 0 394.519 4.051 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)[NH2+]C2CCN([C@H](C)c3ccncc3)CC2)cc1 ZINC000181588433 821892110 /nfs/dbraw/zinc/89/21/10/821892110.db2.gz YVIYMBNKJSLGRD-RBUKOAKNSA-N 1 0 389.547 4.452 20 0 GIADRO Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@@H](Cc1ccccc1Cl)c1ccccc1 ZINC000181596992 821896483 /nfs/dbraw/zinc/89/64/83/821896483.db2.gz GEZVCYDFMFNWAA-IBGZPJMESA-N 1 0 382.895 4.192 20 0 GIADRO COc1cccc2cc([C@@H](C)[NH2+]CCS(=O)(=O)c3ccc(Cl)cc3)oc21 ZINC000181608818 821901231 /nfs/dbraw/zinc/90/12/31/821901231.db2.gz YTAFINITKPGMLR-CYBMUJFWSA-N 1 0 393.892 4.219 20 0 GIADRO Cc1noc(C)c1[C@@H](C)C[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000181627212 821911296 /nfs/dbraw/zinc/91/12/96/821911296.db2.gz JPIAEIYKSBWYPC-NWDGAFQWSA-N 1 0 394.313 4.164 20 0 GIADRO C[C@@H](NC(=O)c1ccc(Oc2cccnc2)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181629810 821912369 /nfs/dbraw/zinc/91/23/69/821912369.db2.gz PKKVMDQEFNGVIV-MJGOQNOKSA-N 1 0 379.504 4.257 20 0 GIADRO C[C@@H](NC(=O)C1(c2ccc(F)cc2F)CCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181635900 821915732 /nfs/dbraw/zinc/91/57/32/821915732.db2.gz JHGNYKBUOBDWSO-HZPDHXFCSA-N 1 0 376.491 4.156 20 0 GIADRO CC1(C)[C@H]([NH2+]Cc2ccc(NC(=O)c3ccc(F)cc3)cc2)[C@@H]2CCCO[C@@H]21 ZINC000181637547 821916440 /nfs/dbraw/zinc/91/64/40/821916440.db2.gz ACEGPNCSHNUROS-HBMCJLEFSA-N 1 0 382.479 4.371 20 0 GIADRO O=C(c1ccccc1Cl)N1CCC([NH2+]CC2([C@H](O)c3ccccc3)CC2)CC1 ZINC000181646690 821920575 /nfs/dbraw/zinc/92/05/75/821920575.db2.gz LXMNCZQVNUJDBF-OAQYLSRUSA-N 1 0 398.934 4.048 20 0 GIADRO CC(C)OC1CCC([NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)CC1 ZINC000181649487 821922207 /nfs/dbraw/zinc/92/22/07/821922207.db2.gz GPLIWTDHXCSIHN-MXWWQKGMSA-N 1 0 397.357 4.492 20 0 GIADRO CCCCNC(=O)c1ccc(C[NH2+]Cc2c(C3CC3)nc3sccn23)cc1 ZINC000181648751 821922268 /nfs/dbraw/zinc/92/22/68/821922268.db2.gz AFCMWLWJKFSTMH-UHFFFAOYSA-N 1 0 382.533 4.093 20 0 GIADRO CCOc1cc(Cl)ccc1C[NH2+][C@@H](C)c1ccc(NS(=O)(=O)CC)cc1 ZINC000181651619 821923345 /nfs/dbraw/zinc/92/33/45/821923345.db2.gz LAUBLAVCXOLTCO-AWEZNQCLSA-N 1 0 396.940 4.351 20 0 GIADRO CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000181660749 821929175 /nfs/dbraw/zinc/92/91/75/821929175.db2.gz BDHJBQUXGGMIJT-ZBFHGGJFSA-N 1 0 383.460 4.191 20 0 GIADRO Cc1c(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cccc1-c1ccccn1 ZINC000181664010 821931300 /nfs/dbraw/zinc/93/13/00/821931300.db2.gz UDQPHAGUARVMKM-RTBURBONSA-N 1 0 377.532 4.440 20 0 GIADRO CCO[C@@H]1C[C@@H]([NH2+]C2CCN(C(=O)c3ccc(C)cc3)CC2)C12CCCCC2 ZINC000181668225 821934152 /nfs/dbraw/zinc/93/41/52/821934152.db2.gz FHJPCGMOWMEEER-FGZHOGPDSA-N 1 0 384.564 4.317 20 0 GIADRO CCC[C@H]([NH2+]CC(=O)N1CCC[C@@H](C(F)(F)F)C1)c1ccc(F)cc1F ZINC000181675559 821938518 /nfs/dbraw/zinc/93/85/18/821938518.db2.gz OYDLCEUBMSTGDI-WBMJQRKESA-N 1 0 378.385 4.197 20 0 GIADRO Cc1cc(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)ccc1NC(=O)CC(C)C ZINC000181683236 821942534 /nfs/dbraw/zinc/94/25/34/821942534.db2.gz GBYHGXJLLSTNEW-AZUAARDMSA-N 1 0 399.579 4.362 20 0 GIADRO COC(=O)c1ccc(C[NH2+][C@@H](C)c2ccccc2OC(F)(F)F)cc1OC ZINC000181687466 821944311 /nfs/dbraw/zinc/94/43/11/821944311.db2.gz PSSCXJJXTVNNLV-LBPRGKRZSA-N 1 0 383.366 4.231 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCN(c2ccccn2)C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000181701970 821949791 /nfs/dbraw/zinc/94/97/91/821949791.db2.gz AEXYVZQVJAKWPB-OLZOCXBDSA-N 1 0 399.388 4.214 20 0 GIADRO C[C@@H]([NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1)c1ccc(N2CCOC2=O)cc1 ZINC000181706622 821951827 /nfs/dbraw/zinc/95/18/27/821951827.db2.gz ARZHKGHALRVJLP-FGSXEWAUSA-N 1 0 380.488 4.462 20 0 GIADRO COc1ccccc1[C@@H](CC(C)C)[NH2+]CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000181713020 821956272 /nfs/dbraw/zinc/95/62/72/821956272.db2.gz USDNYOFIVRCLMW-NVXWUHKLSA-N 1 0 386.458 4.173 20 0 GIADRO CCc1nc(C)c([C@H](C)[N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)s1 ZINC000181716615 821958424 /nfs/dbraw/zinc/95/84/24/821958424.db2.gz LHKOYSGIFJGCQI-LBPRGKRZSA-N 1 0 394.472 4.083 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000181735605 821968264 /nfs/dbraw/zinc/96/82/64/821968264.db2.gz QFTKXRJGXSXQKN-SJCJKPOMSA-N 1 0 386.439 4.155 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)c1ccc([S@@](C)=O)cc1 ZINC000181737603 821969669 /nfs/dbraw/zinc/96/96/69/821969669.db2.gz OASSNVYIHUPCSH-DGDADPBBSA-N 1 0 394.943 4.313 20 0 GIADRO CC(C)(C)C(=O)N1CCC(C[N@@H+]2CCn3cccc3[C@@H]2c2ccccc2)CC1 ZINC000181748473 821975008 /nfs/dbraw/zinc/97/50/08/821975008.db2.gz ZFSNBBAFISXTBN-QFIPXVFZSA-N 1 0 379.548 4.178 20 0 GIADRO C[C@H]([NH2+]CC(=O)N(Cc1ccco1)CC(F)(F)F)c1cc2ccccc2o1 ZINC000181771643 821986604 /nfs/dbraw/zinc/98/66/04/821986604.db2.gz PZTHUZVJEYZVJK-ZDUSSCGKSA-N 1 0 380.366 4.268 20 0 GIADRO C[C@H]([NH2+]CC(=O)NCCc1ccc(OC(F)F)cc1)c1cc2ccccc2o1 ZINC000181776982 821987582 /nfs/dbraw/zinc/98/75/82/821987582.db2.gz KGCSLQCRIFMYMU-AWEZNQCLSA-N 1 0 388.414 4.044 20 0 GIADRO CCN(CC)C(=O)c1cccc(NC(=O)C[NH2+][C@@H](C)c2cc3ccccc3o2)c1 ZINC000181775620 821987718 /nfs/dbraw/zinc/98/77/18/821987718.db2.gz IGMKCBMVLAKBPV-INIZCTEOSA-N 1 0 393.487 4.204 20 0 GIADRO C[C@H]([NH2+]CCCOC[C@@H]1CCOC1)c1cc2cc(Br)ccc2o1 ZINC000181793246 821994499 /nfs/dbraw/zinc/99/44/99/821994499.db2.gz FRXBNKITJNOYJY-KBPBESRZSA-N 1 0 382.298 4.289 20 0 GIADRO O=C1C[C@H](C[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)CN1Cc1ccccc1 ZINC000181826745 822008705 /nfs/dbraw/zinc/00/87/05/822008705.db2.gz UCBONXVEXBWJRS-XXBNENTESA-N 1 0 390.527 4.027 20 0 GIADRO COc1cccc2cc([C@@H](C)[NH2+]C3CCN(c4cc(C)nc(C)n4)CC3)oc21 ZINC000181863170 822019836 /nfs/dbraw/zinc/01/98/36/822019836.db2.gz KNZOABVMKRAQBR-OAHLLOKOSA-N 1 0 380.492 4.168 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)c1cccc(Br)c1)c1cccc(N2CCCC2)c1 ZINC000181870124 822021699 /nfs/dbraw/zinc/02/16/99/822021699.db2.gz BXXYRHDEGSFWOI-MGPUTAFESA-N 1 0 389.337 4.434 20 0 GIADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2ccnc(SC(C)(C)C)c2)CC1 ZINC000181877091 822024057 /nfs/dbraw/zinc/02/40/57/822024057.db2.gz WKVQKZDPWMKUOZ-UHFFFAOYSA-N 1 0 387.549 4.302 20 0 GIADRO C[C@@H](C[NH2+][C@@H](c1ccccc1)c1cc(Cl)ccc1Cl)CS(C)(=O)=O ZINC000181888228 822027557 /nfs/dbraw/zinc/02/75/57/822027557.db2.gz GGBXEGWDGYEQLZ-UGSOOPFHSA-N 1 0 386.344 4.353 20 0 GIADRO CC(C)N(CC[NH+](C)C)C(=O)Nc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1 ZINC000181892233 822028826 /nfs/dbraw/zinc/02/88/26/822028826.db2.gz SIJQXZXLOGKSBT-MRXNPFEDSA-N 1 0 392.544 4.076 20 0 GIADRO C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000181893590 822029108 /nfs/dbraw/zinc/02/91/08/822029108.db2.gz LMDFAKVOMMLDNH-OAHLLOKOSA-N 1 0 385.474 4.010 20 0 GIADRO CC(C)[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1cccc(C(F)(F)F)c1 ZINC000181898961 822030816 /nfs/dbraw/zinc/03/08/16/822030816.db2.gz ZPJBMRRHBZBOBV-KGLIPLIRSA-N 1 0 382.348 4.155 20 0 GIADRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000181901880 822031416 /nfs/dbraw/zinc/03/14/16/822031416.db2.gz ZITSYCMZFBITCR-LBPRGKRZSA-N 1 0 397.353 4.091 20 0 GIADRO C[N@@H+]1CC[C@H](CNC(=O)Nc2ccnc(Cl)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181914283 822035590 /nfs/dbraw/zinc/03/55/90/822035590.db2.gz GVGRDUZUOHZMIC-PXAZEXFGSA-N 1 0 397.281 4.342 20 0 GIADRO COc1cccc([C@@H](C[NH2+][C@H](C)c2ccc(NC(C)=O)cc2)N2CCCC2)c1 ZINC000181915559 822035946 /nfs/dbraw/zinc/03/59/46/822035946.db2.gz OWFWPAGOIFGZNW-UZUQRXQVSA-N 1 0 381.520 4.141 20 0 GIADRO COc1cccc([C@H](C[NH2+][C@@H](C)c2ccc(NC(C)=O)cc2)N2CCCC2)c1 ZINC000181915499 822035977 /nfs/dbraw/zinc/03/59/77/822035977.db2.gz OWFWPAGOIFGZNW-SBUREZEXSA-N 1 0 381.520 4.141 20 0 GIADRO COc1ccc([C@H](C[NH2+][C@@H](C)c2ccc(NC(C)=O)cc2)N2CCCC2)cc1 ZINC000181917736 822036318 /nfs/dbraw/zinc/03/63/18/822036318.db2.gz GOEQXSXQVYFCPA-SBUREZEXSA-N 1 0 381.520 4.141 20 0 GIADRO CC(C)c1ccc(C2(O)CCC([NH2+]Cc3nnc4n3CCCCC4)CC2)cc1 ZINC000181918507 822036434 /nfs/dbraw/zinc/03/64/34/822036434.db2.gz FDJPQWVWCFVHNZ-UHFFFAOYSA-N 1 0 382.552 4.048 20 0 GIADRO Cc1nc([C@@H](NC2CC[NH+](Cc3ccccc3)CC2)c2ccc(Cl)cc2)no1 ZINC000181920332 822037123 /nfs/dbraw/zinc/03/71/23/822037123.db2.gz AINUUNCRGIBVSY-NRFANRHFSA-N 1 0 396.922 4.375 20 0 GIADRO O=C(Nc1ccnc(Cl)c1)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000181923711 822037196 /nfs/dbraw/zinc/03/71/96/822037196.db2.gz IVDTWOHHKJFOCY-MJGOQNOKSA-N 1 0 384.911 4.253 20 0 GIADRO CC(C)[C@@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1ccc(Cl)cc1F ZINC000181963762 822047558 /nfs/dbraw/zinc/04/75/58/822047558.db2.gz WUSXNXKXNLKLQG-OAQYLSRUSA-N 1 0 392.902 4.433 20 0 GIADRO COc1ccc(C[C@H](C)C(=O)NCc2cccc(C[N@H+](C)C(C)C)c2)cc1OC ZINC000181986035 822053631 /nfs/dbraw/zinc/05/36/31/822053631.db2.gz KKSDUFJQMJFRJU-SFHVURJKSA-N 1 0 398.547 4.039 20 0 GIADRO COC(=O)c1cc(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C(C)C)c(C)s1 ZINC000181989292 822055239 /nfs/dbraw/zinc/05/52/39/822055239.db2.gz KPSAZNLHYZIQQA-LJQANCHMSA-N 1 0 375.490 4.101 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N2CCC[C@@H]2c2cccs2)cc1F ZINC000181997931 822058120 /nfs/dbraw/zinc/05/81/20/822058120.db2.gz CPYPOZARDITVLX-JJRVBVJISA-N 1 0 376.497 4.299 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(F)c(Cl)c1F ZINC000182010064 822060776 /nfs/dbraw/zinc/06/07/76/822060776.db2.gz ZRCDWFCZCGPFPW-HNNXBMFYSA-N 1 0 378.850 4.212 20 0 GIADRO CC(C)S(=O)(=O)CCC[NH2+][C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000182016974 822063716 /nfs/dbraw/zinc/06/37/16/822063716.db2.gz OLGOUHRYSAORAR-KRWDZBQOSA-N 1 0 393.524 4.269 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@H]2CCO[C@]3(CCSC3)C2)c(Br)c1 ZINC000182037327 822070081 /nfs/dbraw/zinc/07/00/81/822070081.db2.gz LZXQRECILCCMGQ-IIYDPXPESA-N 1 0 386.355 4.163 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@H]2CCO[C@]3(CCSC3)C2)c(Br)c1 ZINC000182037304 822070270 /nfs/dbraw/zinc/07/02/70/822070270.db2.gz LZXQRECILCCMGQ-GDZNZVCISA-N 1 0 386.355 4.163 20 0 GIADRO Cc1nn(C)c(C)c1CCC[NH2+]Cc1cc(C)c(OCc2ccccn2)c(C)c1 ZINC000182045513 822072178 /nfs/dbraw/zinc/07/21/78/822072178.db2.gz NFCBTFHPANJSPC-UHFFFAOYSA-N 1 0 392.547 4.350 20 0 GIADRO C[C@@H]([NH2+]Cc1cn2cc(Cl)cc(Cl)c2n1)c1ccc(-n2ccnn2)cc1 ZINC000182046386 822072336 /nfs/dbraw/zinc/07/23/36/822072336.db2.gz MMMQORHOVDJPCH-GFCCVEGCSA-N 1 0 387.274 4.073 20 0 GIADRO CC[C@H](C)Oc1ccc(C(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000182065808 822079468 /nfs/dbraw/zinc/07/94/68/822079468.db2.gz VSXVVPZKQHVLOR-KRWDZBQOSA-N 1 0 382.504 4.073 20 0 GIADRO CC(=O)Nc1ccc([C@@H](C)[NH2+]CC2(N[C@@H](C)c3ccccc3)CCOCC2)cc1 ZINC000182090025 822089136 /nfs/dbraw/zinc/08/91/36/822089136.db2.gz OVKRROLSOVDGPP-MOPGFXCFSA-N 1 0 395.547 4.196 20 0 GIADRO COc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(SC(C)C)cc2)cc1OC ZINC000182109245 822097203 /nfs/dbraw/zinc/09/72/03/822097203.db2.gz IKBXTEWOJGIHAV-OAHLLOKOSA-N 1 0 388.533 4.494 20 0 GIADRO C[C@H](Nc1cccc(OC[C@H]2CCCO2)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000182129818 822108417 /nfs/dbraw/zinc/10/84/17/822108417.db2.gz AWDHMNIFCZBGNB-FDDCHVKYSA-N 1 0 384.520 4.358 20 0 GIADRO CC1(C(=O)NCCCOCCc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000182133507 822110521 /nfs/dbraw/zinc/11/05/21/822110521.db2.gz KKDNRSKHVVNNRQ-UHFFFAOYSA-N 1 0 394.559 4.054 20 0 GIADRO C[C@@H](Nc1ccc(OC[C@@H]2CCCO2)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000182140230 822113461 /nfs/dbraw/zinc/11/34/61/822113461.db2.gz WRIXSVOCIIJXKN-JPYJTQIMSA-N 1 0 384.520 4.358 20 0 GIADRO O=C1Nc2ccccc2C12CCC([NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)CC2 ZINC000182156999 822122482 /nfs/dbraw/zinc/12/24/82/822122482.db2.gz LFSRXUQGZZKQEI-RRKSFBQTSA-N 1 0 398.453 4.217 20 0 GIADRO COCCOc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000182160885 822124612 /nfs/dbraw/zinc/12/46/12/822124612.db2.gz USBWXRLKNJACSU-LVXYXVKQSA-N 1 0 377.431 4.171 20 0 GIADRO CC(C)c1ccc(C2(O)CCC([NH2+][C@@H]3CCN(c4ccccn4)C3)CC2)cc1 ZINC000182166531 822126836 /nfs/dbraw/zinc/12/68/36/822126836.db2.gz WPOGOFGCPSWYOA-XERBYJISSA-N 1 0 379.548 4.204 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCCOc2cc(Cl)ccc21)c1ccc(NS(C)(=O)=O)cc1 ZINC000182167607 822127537 /nfs/dbraw/zinc/12/75/37/822127537.db2.gz HYWSEXGDHALSER-ACJLOTCBSA-N 1 0 394.924 4.276 20 0 GIADRO Cc1cccnc1[C@H]([NH2+]C[C@@H](O)COc1ccccc1C(F)(F)F)C(C)C ZINC000182175275 822132318 /nfs/dbraw/zinc/13/23/18/822132318.db2.gz PYNWBCFGQDXEBS-CRAIPNDOSA-N 1 0 382.426 4.135 20 0 GIADRO C[C@H]([NH2+][C@H]1CCCOc2c(Cl)cccc21)c1ccc(NS(C)(=O)=O)cc1 ZINC000182177586 822133781 /nfs/dbraw/zinc/13/37/81/822133781.db2.gz LIWKQEXCOVNHSM-UGSOOPFHSA-N 1 0 394.924 4.276 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCCOc2c(Cl)cccc21)c1ccc(S(C)(=O)=O)cc1 ZINC000182179643 822135299 /nfs/dbraw/zinc/13/52/99/822135299.db2.gz WHTAWAUYKBBYQJ-FZKQIMNGSA-N 1 0 379.909 4.308 20 0 GIADRO CC(=O)Nc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3ccc(F)c(Cl)c3)C2)cc1 ZINC000182222770 822154767 /nfs/dbraw/zinc/15/47/67/822154767.db2.gz ZRKDXSGJZKFJFI-DYVFJYSZSA-N 1 0 375.875 4.367 20 0 GIADRO CC1(C)CN(CC(F)(F)F)CC[N@@H+]1CCC(=O)Nc1cccc2ccccc21 ZINC000182231892 822158559 /nfs/dbraw/zinc/15/85/59/822158559.db2.gz LGKSKIFTTAASAT-UHFFFAOYSA-N 1 0 393.453 4.127 20 0 GIADRO CCCCc1ccc([C@H]([NH2+][C@H]2CCCS(=O)(=O)C2)c2cccs2)cc1 ZINC000182239559 822161978 /nfs/dbraw/zinc/16/19/78/822161978.db2.gz KEDRDNRAGHCEGC-ICSRJNTNSA-N 1 0 377.575 4.347 20 0 GIADRO CN(C)C(=O)CC1CC[NH+](Cc2ccc(OCc3ccc(F)cc3)cc2)CC1 ZINC000182244331 822164715 /nfs/dbraw/zinc/16/47/15/822164715.db2.gz MNOQPUBXHACPLA-UHFFFAOYSA-N 1 0 384.495 4.095 20 0 GIADRO C[C@@H]([NH2+]C1(c2cccc(Cl)c2)CC1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000182258574 822173079 /nfs/dbraw/zinc/17/30/79/822173079.db2.gz ZHGXYWASVXDNFT-OAHLLOKOSA-N 1 0 390.936 4.220 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1ccccc1SC(F)F)c1ccc2c(c1)OCO2 ZINC000182264001 822177265 /nfs/dbraw/zinc/17/72/65/822177265.db2.gz LPDUEYMZLPMFLV-NSHDSACASA-N 1 0 380.416 4.019 20 0 GIADRO Brc1cccc(C2([NH2+]C3CCN(Cc4ccccn4)CC3)CC2)c1 ZINC000182273817 822182442 /nfs/dbraw/zinc/18/24/42/822182442.db2.gz UKFWTFBOSFUJTG-UHFFFAOYSA-N 1 0 386.337 4.087 20 0 GIADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](c2ccc(Cl)cc2F)C(C)C)cc1 ZINC000182275585 822183392 /nfs/dbraw/zinc/18/33/92/822183392.db2.gz UDHZFCPMXADMSP-BFUOFWGJSA-N 1 0 398.931 4.435 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[C@H]1CCCO1 ZINC000182307738 822197252 /nfs/dbraw/zinc/19/72/52/822197252.db2.gz LVPXGNYWDUNLRL-VZJVUDMVSA-N 1 0 378.822 4.233 20 0 GIADRO Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000182358423 822214054 /nfs/dbraw/zinc/21/40/54/822214054.db2.gz MZYRKTRUXVPIMG-PMACEKPBSA-N 1 0 383.561 4.329 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H]3C[C@H]3c3cc(F)ccc3F)cc2)CC1 ZINC000182362841 822215882 /nfs/dbraw/zinc/21/58/82/822215882.db2.gz GALVGSMBXSNQLV-FPOVZHCZSA-N 1 0 399.485 4.237 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)Cc3c[nH]c4cc(F)ccc34)cc2)CC1 ZINC000182369046 822217607 /nfs/dbraw/zinc/21/76/07/822217607.db2.gz ABODOMFFDXZQKC-UHFFFAOYSA-N 1 0 394.494 4.019 20 0 GIADRO C[C@@H](CC(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1)c1ccccc1F ZINC000182368367 822217613 /nfs/dbraw/zinc/21/76/13/822217613.db2.gz ZMOZWKKNIWANCE-KRWDZBQOSA-N 1 0 383.511 4.488 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3ccc(F)cc3Cl)cc2)CC1 ZINC000182372667 822219331 /nfs/dbraw/zinc/21/93/31/822219331.db2.gz JWVLGBWNTDDGBZ-UHFFFAOYSA-N 1 0 375.875 4.262 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3ccc4c(c3)CCCC4)cc2)CC1 ZINC000182372362 822219492 /nfs/dbraw/zinc/21/94/92/822219492.db2.gz GRYALQPFUJDMOE-UHFFFAOYSA-N 1 0 377.532 4.348 20 0 GIADRO C[C@H](Cc1cccc(F)c1)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000182374045 822219896 /nfs/dbraw/zinc/21/98/96/822219896.db2.gz OSTIWVKZHXCBPY-QGZVFWFLSA-N 1 0 383.511 4.173 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)Nc2ccnn2-c2ccccc2C)CC1 ZINC000182379126 822221515 /nfs/dbraw/zinc/22/15/15/822221515.db2.gz NDQJMZQWCPHHQA-UHFFFAOYSA-N 1 0 383.540 4.157 20 0 GIADRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)c1 ZINC000182396906 822228768 /nfs/dbraw/zinc/22/87/68/822228768.db2.gz MCZFCNYMPVNYEJ-WDEREUQCSA-N 1 0 383.275 4.385 20 0 GIADRO COc1cc(N[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)ccc1Br ZINC000182421354 822236707 /nfs/dbraw/zinc/23/67/07/822236707.db2.gz KSXINOQPSRYBTF-KDOFPFPSSA-N 1 0 390.325 4.175 20 0 GIADRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)c1 ZINC000182437466 822242842 /nfs/dbraw/zinc/24/28/42/822242842.db2.gz KMWDGAHHAAAKMB-MNOVXSKESA-N 1 0 383.275 4.385 20 0 GIADRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cc(C)c(Cl)cc2OC)c1 ZINC000182452840 822247406 /nfs/dbraw/zinc/24/74/06/822247406.db2.gz IIBKILXOBMCFJK-CHWSQXEVSA-N 1 0 392.883 4.049 20 0 GIADRO Cc1nn(C(C)(C)C)cc1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000182460614 822251703 /nfs/dbraw/zinc/25/17/03/822251703.db2.gz FZYITZAOHKQNEW-YLJYHZDGSA-N 1 0 382.552 4.072 20 0 GIADRO COc1cccc2[nH]cc(CC(=O)N3CCC(CC[N@@H+]4CCCC[C@@H]4C)CC3)c21 ZINC000182463346 822252816 /nfs/dbraw/zinc/25/28/16/822252816.db2.gz OJPRTCFVQKWINH-SFHVURJKSA-N 1 0 397.563 4.222 20 0 GIADRO Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000177968508 822261579 /nfs/dbraw/zinc/26/15/79/822261579.db2.gz MRFXNPILAOQZBF-LBPRGKRZSA-N 1 0 386.970 4.353 20 0 GIADRO COCCOc1ccc([C@H](C)[NH2+]C2CCN(CCc3ccccc3)CC2)cc1 ZINC000177969024 822262075 /nfs/dbraw/zinc/26/20/75/822262075.db2.gz VDBLXMQRJBAPTC-FQEVSTJZSA-N 1 0 382.548 4.070 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+]1C[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000182486774 822262885 /nfs/dbraw/zinc/26/28/85/822262885.db2.gz PNWKABCJFMSSQH-DQLDELGASA-N 1 0 380.536 4.328 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCSc2c(F)cccc21)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000177971811 822263613 /nfs/dbraw/zinc/26/36/13/822263613.db2.gz WXODKQZDOPVVNV-MEDUHNTESA-N 1 0 383.485 4.256 20 0 GIADRO CC[C@H]([NH2+]C[C@H](O)COC(c1ccccc1)c1ccccc1)c1c(C)noc1C ZINC000182491652 822264806 /nfs/dbraw/zinc/26/48/06/822264806.db2.gz OFCGNIUZULKPQZ-VXKWHMMOSA-N 1 0 394.515 4.499 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(C(C)=O)c(Cl)c1)c1ccco1 ZINC000182496798 822267765 /nfs/dbraw/zinc/26/77/65/822267765.db2.gz XCTMLIYOKFPFNR-QGZVFWFLSA-N 1 0 377.872 4.340 20 0 GIADRO Cc1cccc(C)c1NC(=O)CCC[NH2+]C1(c2ccc(F)cc2)CCOCC1 ZINC000177986361 822269860 /nfs/dbraw/zinc/26/98/60/822269860.db2.gz CXTWNLIDRPYPSM-UHFFFAOYSA-N 1 0 384.495 4.457 20 0 GIADRO Cc1c2cc(C)ccc2[nH]c1C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000177988869 822271387 /nfs/dbraw/zinc/27/13/87/822271387.db2.gz QZQPPBONMXHJDP-UHFFFAOYSA-N 1 0 376.504 4.179 20 0 GIADRO CC(C)[NH2+]C1CCN(C(=O)Nc2cc(Br)c(F)cc2Cl)CC1 ZINC000177992774 822273635 /nfs/dbraw/zinc/27/36/35/822273635.db2.gz IHFFSGFMWJGDIP-UHFFFAOYSA-N 1 0 392.700 4.236 20 0 GIADRO O=C1CCCN1Cc1cccc(C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)c1 ZINC000177994676 822274693 /nfs/dbraw/zinc/27/46/93/822274693.db2.gz BTHOIQBLUAMBEL-OAQYLSRUSA-N 1 0 376.500 4.345 20 0 GIADRO Cc1cc2c(cc1C)[C@H]([NH2+]Cc1cccc(CN3CCCC3=O)c1)CCCO2 ZINC000177994200 822274940 /nfs/dbraw/zinc/27/49/40/822274940.db2.gz GGQAHVHQEUYKSL-JOCHJYFZSA-N 1 0 378.516 4.429 20 0 GIADRO Cc1nc(C)c(C(=O)NCCC[NH+](Cc2ccccc2)Cc2ccccc2)o1 ZINC000177996839 822275757 /nfs/dbraw/zinc/27/57/57/822275757.db2.gz STQCWXOOHJOLER-UHFFFAOYSA-N 1 0 377.488 4.114 20 0 GIADRO Cc1nc(C[N@@H+]2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)sc1C ZINC000178000961 822277196 /nfs/dbraw/zinc/27/71/96/822277196.db2.gz JWTXSCNPGMSVHE-ZDUSSCGKSA-N 1 0 395.454 4.201 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)C1 ZINC000178003425 822278480 /nfs/dbraw/zinc/27/84/80/822278480.db2.gz BNKUCKNTTBEOPB-MRXNPFEDSA-N 1 0 378.948 4.136 20 0 GIADRO Cc1cc(NC(=O)C[NH2+][C@@H](C)c2ccc(OC(F)(F)F)cc2)n(C(C)(C)C)n1 ZINC000182518875 822279355 /nfs/dbraw/zinc/27/93/55/822279355.db2.gz GBUDDZUDDCJGGK-ZDUSSCGKSA-N 1 0 398.429 4.134 20 0 GIADRO CC(=O)c1ccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1Cl ZINC000182519152 822279556 /nfs/dbraw/zinc/27/95/56/822279556.db2.gz ZQCLGWJCYOSOLQ-KUHUBIRLSA-N 1 0 375.900 4.023 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cccnc2Oc2cccc(C)c2C)C1 ZINC000178018968 822284246 /nfs/dbraw/zinc/28/42/46/822284246.db2.gz ZHUSHMQZGAYUJA-SFHVURJKSA-N 1 0 382.508 4.296 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCCO2)c1ccc(N2CCCC2=O)cc1 ZINC000178021250 822285638 /nfs/dbraw/zinc/28/56/38/822285638.db2.gz FMNFTNLQGIQCQS-SJORKVTESA-N 1 0 380.488 4.387 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(N3CCc4sccc4C3)cc2)C1 ZINC000178025916 822288335 /nfs/dbraw/zinc/28/83/35/822288335.db2.gz GSZJEHCKYVWGCU-KRWDZBQOSA-N 1 0 398.576 4.116 20 0 GIADRO Brc1ccc([C@@H](NC[C@H]2CC[N@@H+](C3CC3)C2)c2ccco2)cc1 ZINC000182541317 822292268 /nfs/dbraw/zinc/29/22/68/822292268.db2.gz WQTNRVIECHREEL-AUUYWEPGSA-N 1 0 375.310 4.205 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccnc(Oc3ccccc3Cl)c2)C1 ZINC000178040736 822294639 /nfs/dbraw/zinc/29/46/39/822294639.db2.gz UNLRMHQMZJNROT-HNNXBMFYSA-N 1 0 388.899 4.333 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+]CC(=O)N[C@H](CC(C)C)c2ccccc2)c1 ZINC000182552597 822298085 /nfs/dbraw/zinc/29/80/85/822298085.db2.gz QTYURTGMTGSYPR-HTAPYJJXSA-N 1 0 381.520 4.199 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(C)c(F)cc3Cl)c(C)c2)CC1 ZINC000178047320 822298705 /nfs/dbraw/zinc/29/87/05/822298705.db2.gz JCMDCPNVXRVDJU-UHFFFAOYSA-N 1 0 389.902 4.490 20 0 GIADRO CC[C@H]1CCCCN1C(=O)C[NH2+][C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000182559383 822301986 /nfs/dbraw/zinc/30/19/86/822301986.db2.gz HRORVLKCMXKYSR-AVRDEDQJSA-N 1 0 393.531 4.381 20 0 GIADRO CCC[C@H]([NH2+]Cc1cccnc1-n1cncn1)c1cccc(C(F)(F)F)c1 ZINC000178055547 822303168 /nfs/dbraw/zinc/30/31/68/822303168.db2.gz NCISHLBGSPRECX-KRWDZBQOSA-N 1 0 375.398 4.312 20 0 GIADRO CC(C)CN(C(=O)C[NH2+][C@@H](C)c1cccc(NC(=O)c2ccccc2)c1)C1CC1 ZINC000182561762 822303630 /nfs/dbraw/zinc/30/36/30/822303630.db2.gz QYSQJVLHEIQBMZ-SFHVURJKSA-N 1 0 393.531 4.237 20 0 GIADRO C[C@H]([NH2+]CC(=O)N1[C@@H](C)CCC[C@@H]1C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000182563572 822304115 /nfs/dbraw/zinc/30/41/15/822304115.db2.gz NAJJAVBKGUVSCM-FHWLQOOXSA-N 1 0 393.531 4.379 20 0 GIADRO COc1cccc2[nH]cc(CC(=O)Nc3cccc4c3C[N@H+](CC(C)C)C4)c21 ZINC000182576796 822309292 /nfs/dbraw/zinc/30/92/92/822309292.db2.gz FMLUEXNURYHFKZ-UHFFFAOYSA-N 1 0 377.488 4.329 20 0 GIADRO COC[C@@H]([NH2+]CC1(c2ccc(F)cc2)CCOCC1)c1ccc(F)c(F)c1 ZINC000182579520 822310633 /nfs/dbraw/zinc/31/06/33/822310633.db2.gz XEBNUOHLUDXQHR-HXUWFJFHSA-N 1 0 379.422 4.129 20 0 GIADRO COc1cccc([C@H](O)C[NH2+][C@H](C)c2cnn(-c3cccc(Cl)c3)c2C)c1 ZINC000178082583 822312214 /nfs/dbraw/zinc/31/22/14/822312214.db2.gz XXWJGRKOJGHMCJ-SPLOXXLWSA-N 1 0 385.895 4.227 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CCc3cc(Cl)ccc32)cc1 ZINC000178086038 822313539 /nfs/dbraw/zinc/31/35/39/822313539.db2.gz BISAEKSUUUUIST-DJJJIMSYSA-N 1 0 378.925 4.440 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@H]2CCc3c2cccc3Cl)c1 ZINC000178090637 822315227 /nfs/dbraw/zinc/31/52/27/822315227.db2.gz ZDODARAAVWHPFF-UGSOOPFHSA-N 1 0 388.895 4.351 20 0 GIADRO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(OC)cc1OC)c1cccc(Cl)c1 ZINC000182592328 822315318 /nfs/dbraw/zinc/31/53/18/822315318.db2.gz NQZXHLCCNKFHOA-CXAGYDPISA-N 1 0 376.884 4.425 20 0 GIADRO Cc1nn(C)cc1[C@H](C)[NH2+]C[C@@H](c1ccccc1)N1CCc2sccc2C1 ZINC000178096918 822317927 /nfs/dbraw/zinc/31/79/27/822317927.db2.gz YDLWFITWDKXULK-KKSFZXQISA-N 1 0 380.561 4.240 20 0 GIADRO COCCC[C@@H](C)[NH2+][C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000178109304 822323042 /nfs/dbraw/zinc/32/30/42/822323042.db2.gz NYVKDWSYKBKOEV-QRWLVFNGSA-N 1 0 395.952 4.238 20 0 GIADRO C[C@@H](CC(=O)N(C)C)[NH2+][C@H](c1ccccc1)c1ccc(Br)cc1F ZINC000178129741 822327593 /nfs/dbraw/zinc/32/75/93/822327593.db2.gz JCUSISSSWHRLBE-ORAYPTAESA-N 1 0 393.300 4.134 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N[C@H](c1nccs1)c1ccccc1)c1cc2ccccc2o1 ZINC000182630824 822330822 /nfs/dbraw/zinc/33/08/22/822330822.db2.gz WCUTZFOYYKEYQB-VFNWGFHPSA-N 1 0 391.496 4.446 20 0 GIADRO COc1cc([C@H](C)Nc2ccc(N3CC[NH+](C)CC3)cc2)ccc1OC(F)F ZINC000182633808 822331827 /nfs/dbraw/zinc/33/18/27/822331827.db2.gz SHQGNLYYWVOMMZ-HNNXBMFYSA-N 1 0 391.462 4.222 20 0 GIADRO C[C@@H]([NH2+]Cc1ccccc1-n1cccn1)c1ccc(OCc2nccn2C)cc1 ZINC000178145123 822332437 /nfs/dbraw/zinc/33/24/37/822332437.db2.gz WGNIAMBONSFZTL-GOSISDBHSA-N 1 0 387.487 4.036 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1cc2ccccc2o1)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000182641402 822335083 /nfs/dbraw/zinc/33/50/83/822335083.db2.gz IJFLTIQORSPSPI-JKSUJKDBSA-N 1 0 391.471 4.237 20 0 GIADRO COc1ccc(Cc2nc(C)c([C@@H](C)[NH2+]CC(C)(C)CCO)s2)cc1OC ZINC000178166180 822338683 /nfs/dbraw/zinc/33/86/83/822338683.db2.gz RGNMYHLOBZPKKK-CQSZACIVSA-N 1 0 392.565 4.119 20 0 GIADRO CC[C@@H](NC(=O)N1CCC(CCC[NH+](CC)CC)CC1)c1c(C)noc1C ZINC000182650203 822338828 /nfs/dbraw/zinc/33/88/28/822338828.db2.gz NNEFLAVYQCGPCH-LJQANCHMSA-N 1 0 378.561 4.286 20 0 GIADRO C[C@H]([NH2+]CCNC(=O)c1ccccc1Cl)c1cc(Br)ccc1F ZINC000178171227 822340938 /nfs/dbraw/zinc/34/09/38/822340938.db2.gz URFDMBMOEFSRCT-NSHDSACASA-N 1 0 399.691 4.322 20 0 GIADRO O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CCn2cccc2[C@@H]1c1ccccc1 ZINC000178175939 822342803 /nfs/dbraw/zinc/34/28/03/822342803.db2.gz VFSWNGFMBNHGLE-OFNKIYASSA-N 1 0 377.532 4.074 20 0 GIADRO COc1ccc([C@H](C)[NH2+]C[C@@H](c2ccccc2Cl)N(C)C)cc1NC(C)=O ZINC000178189037 822347361 /nfs/dbraw/zinc/34/73/61/822347361.db2.gz GFUVSSNNXVRHOQ-XOBRGWDASA-N 1 0 389.927 4.261 20 0 GIADRO C[C@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1ccc(SCC(F)F)cc1 ZINC000178190420 822347659 /nfs/dbraw/zinc/34/76/59/822347659.db2.gz LURBIVYCVBDBOX-HOCLYGCPSA-N 1 0 378.492 4.153 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1)c1ccc(-n2ccnc2)cc1 ZINC000178198839 822349762 /nfs/dbraw/zinc/34/97/62/822349762.db2.gz FDLQGOLFKMWHAY-SJORKVTESA-N 1 0 376.460 4.241 20 0 GIADRO O=C(C[NH2+][C@H]1CCCOc2c(Cl)cccc21)Nc1ccc(F)c(F)c1F ZINC000178201236 822350139 /nfs/dbraw/zinc/35/01/39/822350139.db2.gz VPBHYICUPOXNFK-ZDUSSCGKSA-N 1 0 384.785 4.199 20 0 GIADRO C[C@@H](NC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1)c1cccc(O)c1 ZINC000178200970 822350224 /nfs/dbraw/zinc/35/02/24/822350224.db2.gz DKAPFKJYQDLWMV-QGZVFWFLSA-N 1 0 383.492 4.140 20 0 GIADRO CC(C)n1cc(CNc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)cn1 ZINC000178214880 822354318 /nfs/dbraw/zinc/35/43/18/822354318.db2.gz RAEYHXYKMNENQE-UHFFFAOYSA-N 1 0 383.540 4.281 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)C[NH2+][C@@H](C)C2CCCCC2)c(C(F)(F)F)c1 ZINC000182698674 822354406 /nfs/dbraw/zinc/35/44/06/822354406.db2.gz NUWRLLHKRWVHIL-LBPRGKRZSA-N 1 0 385.430 4.161 20 0 GIADRO COc1ccccc1CC(=O)N1CCC([NH2+][C@H]2CCCc3cc(F)ccc32)CC1 ZINC000182700248 822354812 /nfs/dbraw/zinc/35/48/12/822354812.db2.gz HSYNHEQZLAXJSD-QFIPXVFZSA-N 1 0 396.506 4.035 20 0 GIADRO Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000178224467 822355667 /nfs/dbraw/zinc/35/56/67/822355667.db2.gz IBTFUCLXWFVLDW-AWEZNQCLSA-N 1 0 387.487 4.090 20 0 GIADRO COc1ccccc1N1CCC([NH2+][C@H](C)c2cnn(Cc3ccccc3)c2)CC1 ZINC000178231782 822356832 /nfs/dbraw/zinc/35/68/32/822356832.db2.gz STRLEHVRNXQQDY-LJQANCHMSA-N 1 0 390.531 4.260 20 0 GIADRO C[C@H]([NH2+]C1CCN(Cc2ccncc2)CC1)[C@H](C)c1nc2ccccc2s1 ZINC000178233080 822357076 /nfs/dbraw/zinc/35/70/76/822357076.db2.gz ZNZHYPARCDWDAN-IRXDYDNUSA-N 1 0 380.561 4.438 20 0 GIADRO CSc1cc(C)ccc1CNC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182724609 822358040 /nfs/dbraw/zinc/35/80/40/822358040.db2.gz NFEGMAYPAHANIB-SJLPKXTDSA-N 1 0 375.582 4.169 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(-n3ncc4ccccc43)cc2)[C@H](C)C1 ZINC000182732663 822359205 /nfs/dbraw/zinc/35/92/05/822359205.db2.gz FESJXEQBVPWFKO-DYESRHJHSA-N 1 0 391.519 4.220 20 0 GIADRO CC(C)c1c(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)cnn1-c1ccccc1 ZINC000045053606 822359783 /nfs/dbraw/zinc/35/97/83/822359783.db2.gz ADGSRPJVMNMCFB-SFHVURJKSA-N 1 0 382.533 4.090 20 0 GIADRO O=C(Nc1ccc(OCC2CCOCC2)cc1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178259689 822360205 /nfs/dbraw/zinc/36/02/05/822360205.db2.gz JFQZWSAHUWGBDM-LJQANCHMSA-N 1 0 386.536 4.085 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)ccc1OC(F)F ZINC000178266534 822360796 /nfs/dbraw/zinc/36/07/96/822360796.db2.gz PQUHLFBBWFWYCR-STQMWFEESA-N 1 0 379.403 4.480 20 0 GIADRO CC(C)(C)[NH+]1CCC(NCc2ccc(NC(=O)c3ccc(F)cc3)cc2)CC1 ZINC000178270576 822361514 /nfs/dbraw/zinc/36/15/14/822361514.db2.gz KTFLRYQIPHOSBS-UHFFFAOYSA-N 1 0 383.511 4.431 20 0 GIADRO CC(C)c1ccc2c(c1)[C@H]([NH2+]Cc1ccc(Cn3cncn3)cc1)CCCO2 ZINC000178272604 822361687 /nfs/dbraw/zinc/36/16/87/822361687.db2.gz MLOQEKXKURTGIG-JOCHJYFZSA-N 1 0 376.504 4.453 20 0 GIADRO Cc1cc([C@H](C)[NH2+]CCC(=O)Nc2ccc(N3CCCC3=O)cc2)c(C)s1 ZINC000182750068 822361908 /nfs/dbraw/zinc/36/19/08/822361908.db2.gz VEOGPVQGCMZVDP-HNNXBMFYSA-N 1 0 385.533 4.171 20 0 GIADRO COc1ccc(Cc2nc(C)c([C@H](C)[NH2+]CC3CCOCC3)s2)cc1OC ZINC000178281381 822362762 /nfs/dbraw/zinc/36/27/62/822362762.db2.gz PHDXITDHNFHLKX-AWEZNQCLSA-N 1 0 390.549 4.137 20 0 GIADRO CCOc1ccc([C@H](C)NC(=O)C[NH2+][C@H](C)c2cc(C)sc2C)cc1OC ZINC000182755763 822362774 /nfs/dbraw/zinc/36/27/74/822362774.db2.gz ZDYJVNZJCKPNIR-LSDHHAIUSA-N 1 0 390.549 4.300 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(OC(F)F)cc1)c1ccc(OCc2nccn2C)cc1 ZINC000178281671 822362933 /nfs/dbraw/zinc/36/29/33/822362933.db2.gz AIMUNBFJEKNCGB-HNNXBMFYSA-N 1 0 387.430 4.451 20 0 GIADRO CCN(CC)C(=O)c1ccc(NC(=O)C[NH2+][C@H](C)c2cc(C)sc2C)cc1 ZINC000182756214 822362903 /nfs/dbraw/zinc/36/29/03/822362903.db2.gz AAHSNMDYBDMXIU-OAHLLOKOSA-N 1 0 387.549 4.136 20 0 GIADRO Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000182756752 822362965 /nfs/dbraw/zinc/36/29/65/822362965.db2.gz NGAAKEZAOUPWMV-PMACEKPBSA-N 1 0 389.588 4.021 20 0 GIADRO COc1ccc(C)cc1NC(=O)[C@@H]([NH2+]CC[C@H]1CCCCO1)c1ccccc1 ZINC000182759102 822363315 /nfs/dbraw/zinc/36/33/15/822363315.db2.gz HGDBUOVQLDPQFE-KNQAVFIVSA-N 1 0 382.504 4.232 20 0 GIADRO COc1cc(C)c([C@@H](C)NC(=O)C[NH2+][C@@H](C)c2cc(C)sc2C)cc1OC ZINC000182759471 822363440 /nfs/dbraw/zinc/36/34/40/822363440.db2.gz IUAMXNXIEGLKNZ-LSDHHAIUSA-N 1 0 390.549 4.219 20 0 GIADRO CC1CC[NH+](CCCNC(=O)N2CCC[C@H]2c2nc3ccccc3s2)CC1 ZINC000045122408 822364238 /nfs/dbraw/zinc/36/42/38/822364238.db2.gz DCOJAGWVYBJNFY-SFHVURJKSA-N 1 0 386.565 4.265 20 0 GIADRO C[C@@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)[C@H](C)c1nc2ccccc2s1 ZINC000178299125 822364756 /nfs/dbraw/zinc/36/47/56/822364756.db2.gz HPFAHDMJZLSWNW-LSDHHAIUSA-N 1 0 388.558 4.123 20 0 GIADRO C[C@@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)[C@@H](C)c1nc2ccccc2s1 ZINC000178299112 822364840 /nfs/dbraw/zinc/36/48/40/822364840.db2.gz HPFAHDMJZLSWNW-HUUCEWRRSA-N 1 0 388.558 4.123 20 0 GIADRO CCN(c1nnc([C@@H]2CC[C@H](C)O2)n1CC)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000453457374 822367617 /nfs/dbraw/zinc/36/76/17/822367617.db2.gz ATWUCXXAOANMLQ-QIJZPMMNSA-N 1 0 397.567 4.200 20 0 GIADRO Cc1nc([C@H](C)N2CC[NH+](C[C@H]3CCOC3)CC2)oc1-c1ccc(Cl)cc1 ZINC000178333912 822368367 /nfs/dbraw/zinc/36/83/67/822368367.db2.gz AIFCVOUFXIIARF-DLBZAZTESA-N 1 0 389.927 4.019 20 0 GIADRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(C)s2)cc1 ZINC000178339623 822368765 /nfs/dbraw/zinc/36/87/65/822368765.db2.gz DUNTWPTYLHFWQN-HZPDHXFCSA-N 1 0 380.579 4.499 20 0 GIADRO COc1ccc([C@H]2CCCN2C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000045191559 822369267 /nfs/dbraw/zinc/36/92/67/822369267.db2.gz ZTYQZYJYXLBSFV-HSZRJFAPSA-N 1 0 393.531 4.338 20 0 GIADRO CCOc1cc(NC(=O)NCc2ccccc2C[NH+]2CCCC2)ccc1OC ZINC000045191311 822369285 /nfs/dbraw/zinc/36/92/85/822369285.db2.gz XSLLVXJEPUIVMT-UHFFFAOYSA-N 1 0 383.492 4.011 20 0 GIADRO CCn1c([C@@H]2CC[C@H](C)O2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000453462708 822369303 /nfs/dbraw/zinc/36/93/03/822369303.db2.gz JCEGQHPUDIUSRV-ZFMNYDKASA-N 1 0 397.567 4.027 20 0 GIADRO Cc1ccc(CN(C(=O)NCc2ccccc2C[NH+]2CCCCC2)C2CC2)o1 ZINC000045192977 822369487 /nfs/dbraw/zinc/36/94/87/822369487.db2.gz KUBWNQRIMIKCFR-UHFFFAOYSA-N 1 0 381.520 4.448 20 0 GIADRO COc1ccc(OC)c([C@H](C)[NH2+][C@@H](C)c2ccc(OC)c(Cn3cccn3)c2)c1 ZINC000178357398 822370834 /nfs/dbraw/zinc/37/08/34/822370834.db2.gz OLPWVPCZRNCWEP-IRXDYDNUSA-N 1 0 395.503 4.369 20 0 GIADRO COCCCOC1CC[NH+](CCSc2ccnc3cc(Cl)ccc32)CC1 ZINC000182808056 822370882 /nfs/dbraw/zinc/37/08/82/822370882.db2.gz HBDLSFKWPLLVQT-UHFFFAOYSA-N 1 0 394.968 4.498 20 0 GIADRO CC(C)c1ccc([C@H](C[NH2+][C@@H](C)c2nccn2C)NC(=O)OC(C)(C)C)cc1 ZINC000182811149 822371384 /nfs/dbraw/zinc/37/13/84/822371384.db2.gz WDUSMWOAPLCYMP-LPHOPBHVSA-N 1 0 386.540 4.460 20 0 GIADRO CC(C)c1ccc([C@@H](C[NH2+][C@H](C)c2nccn2C)NC(=O)OC(C)(C)C)cc1 ZINC000182811167 822371453 /nfs/dbraw/zinc/37/14/53/822371453.db2.gz WDUSMWOAPLCYMP-VQIMIIECSA-N 1 0 386.540 4.460 20 0 GIADRO COc1cc(C[NH2+][C@H](C)c2cc(C)ccc2OC(F)F)cc(OC)c1OC ZINC000178378469 822372958 /nfs/dbraw/zinc/37/29/58/822372958.db2.gz QFDBTWFEHKAKRC-CYBMUJFWSA-N 1 0 381.419 4.473 20 0 GIADRO C[C@H](NC(=O)c1c[nH]nc1-c1ccc(Cl)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182821975 822373108 /nfs/dbraw/zinc/37/31/08/822373108.db2.gz NNDGZITXHYBIEP-GOEBONIOSA-N 1 0 386.927 4.113 20 0 GIADRO CCCCc1nnc(N(C)C2CC[NH+](CCC(F)(F)F)CC2)n1CC(C)C ZINC000453474999 822373790 /nfs/dbraw/zinc/37/37/90/822373790.db2.gz BBUWQBSZAYFBIX-UHFFFAOYSA-N 1 0 389.510 4.130 20 0 GIADRO C[C@H](CC(=O)NCc1ccc(OCc2cccc(F)c2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000178389803 822374367 /nfs/dbraw/zinc/37/43/67/822374367.db2.gz FQEWQAMIMJBEMC-YLJYHZDGSA-N 1 0 384.495 4.047 20 0 GIADRO CCOc1cc2c(cc1C[NH2+][C@H](C)c1ccc3c(c1)CCC(=O)N3)O[C@H](C)C2 ZINC000178394432 822374925 /nfs/dbraw/zinc/37/49/25/822374925.db2.gz SWEKBEVCEAHHGD-HUUCEWRRSA-N 1 0 380.488 4.144 20 0 GIADRO CC1([C@@H]2CCC[N@H+](Cn3c(-c4ccccc4)csc3=S)C2)OCCO1 ZINC000182833190 822375047 /nfs/dbraw/zinc/37/50/47/822375047.db2.gz IYHLKIWIJDXDQR-MRXNPFEDSA-N 1 0 376.547 4.379 20 0 GIADRO CCOc1cc(/C=C/C(=O)Nc2cc(C[NH+]3CCCC3)ccc2C)ccc1O ZINC000182839583 822376168 /nfs/dbraw/zinc/37/61/68/822376168.db2.gz VZRTUURZFKDNNT-PKNBQFBNSA-N 1 0 380.488 4.347 20 0 GIADRO COc1cc(CN2CC[C@H]([NH2+][C@@H](C)c3ccc4ccccc4n3)C2)cc(OC)c1 ZINC000178411835 822376799 /nfs/dbraw/zinc/37/67/99/822376799.db2.gz NIJGJWCBUXISLI-PXNSSMCTSA-N 1 0 391.515 4.177 20 0 GIADRO C[C@H]([NH2+]CCSC(F)(F)F)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000178420250 822377499 /nfs/dbraw/zinc/37/74/99/822377499.db2.gz IHEIJYASRICZQV-LBPRGKRZSA-N 1 0 381.485 4.307 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1cccc(OCC(F)(F)F)c1 ZINC000182846230 822377761 /nfs/dbraw/zinc/37/77/61/822377761.db2.gz MWGNJGPSPRCDBE-BEFAXECRSA-N 1 0 379.426 4.345 20 0 GIADRO C[C@H](NC(=O)N1C[C@H](c2ccc(F)cc2)C[C@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182847263 822378053 /nfs/dbraw/zinc/37/80/53/822378053.db2.gz DIGLBLUQAFOAON-PIKOESSRSA-N 1 0 387.543 4.366 20 0 GIADRO O=C(Nc1ccccc1SC(F)F)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000178432488 822378733 /nfs/dbraw/zinc/37/87/33/822378733.db2.gz YSYHTJRFKAFULY-CJNGLKHVSA-N 1 0 381.492 4.482 20 0 GIADRO CCc1c(C(=O)N(C)C2CC[NH+](C(C)C)CC2)cnn1-c1cccc(Cl)c1 ZINC000045356671 822381075 /nfs/dbraw/zinc/38/10/75/822381075.db2.gz SFWITFPLPZFUIF-UHFFFAOYSA-N 1 0 388.943 4.033 20 0 GIADRO CC(=O)Nc1ccc(Cl)c(NC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000182866139 822381746 /nfs/dbraw/zinc/38/17/46/822381746.db2.gz SJQYHHUWOZBELX-DZGCQCFKSA-N 1 0 392.931 4.073 20 0 GIADRO CC(=O)Nc1cccc(C[N@@H+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(C)C)c1 ZINC000178467936 822382213 /nfs/dbraw/zinc/38/22/13/822382213.db2.gz DCXQECDYRZFOBD-LJQANCHMSA-N 1 0 377.529 4.016 20 0 GIADRO Cc1c([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(C)cc2F)cnn1-c1ccc(F)cc1 ZINC000182868403 822382566 /nfs/dbraw/zinc/38/25/66/822382566.db2.gz BVHHZQQRCKUWDA-CABCVRRESA-N 1 0 398.457 4.445 20 0 GIADRO CC[C@H]([NH2+][C@H](C)c1cccc(N2CCCC2=O)c1)c1ccc2c(c1)OCCO2 ZINC000178479631 822383473 /nfs/dbraw/zinc/38/34/73/822383473.db2.gz ZHQQWRJHUPOUNN-UZLBHIALSA-N 1 0 380.488 4.387 20 0 GIADRO CC[C@H]([NH2+][C@H](C)c1cc(OC)c(OC)cc1F)c1ccc2c(c1)OCCO2 ZINC000178480906 822383656 /nfs/dbraw/zinc/38/36/56/822383656.db2.gz UORQAXAJIMXMJX-DYVFJYSZSA-N 1 0 375.440 4.416 20 0 GIADRO C[C@@H](NC(=O)c1ccccc1C(=O)c1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182874149 822383813 /nfs/dbraw/zinc/38/38/13/822383813.db2.gz UIUVXCPIIXHVFH-QUCCMNQESA-N 1 0 390.527 4.300 20 0 GIADRO C[C@H](NC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182875499 822383941 /nfs/dbraw/zinc/38/39/41/822383941.db2.gz NHJJBYRPIMDDJD-NJSLBKSFSA-N 1 0 399.362 4.186 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@@H](C)CN2CCCC2=O)cnn1-c1ccc(Cl)cc1Cl ZINC000178491584 822385128 /nfs/dbraw/zinc/38/51/28/822385128.db2.gz HJGNBOPLDJWDHE-STQMWFEESA-N 1 0 395.334 4.149 20 0 GIADRO Cc1cc(Br)c(C[NH+]2CCC(CC(=O)N3CCCC3)CC2)s1 ZINC000453565985 822385525 /nfs/dbraw/zinc/38/55/25/822385525.db2.gz RIKNGBWYXHNFBL-UHFFFAOYSA-N 1 0 385.371 4.044 20 0 GIADRO O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCCN1CCCn1ccnc1 ZINC000182888078 822386530 /nfs/dbraw/zinc/38/65/30/822386530.db2.gz MPRXYJPGPKFYGR-KRWDZBQOSA-N 1 0 381.307 4.073 20 0 GIADRO CC(C)[NH+]1CCN(C(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)CC1 ZINC000045429977 822387217 /nfs/dbraw/zinc/38/72/17/822387217.db2.gz FZIIICJHVJMITG-UHFFFAOYSA-N 1 0 396.318 4.134 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)C(=O)N[C@@H](c3ccccc3)C(C)(C)C)ccc21 ZINC000453578974 822387535 /nfs/dbraw/zinc/38/75/35/822387535.db2.gz VZCXKXJQPOQESK-SFTDATJTSA-N 1 0 393.531 4.078 20 0 GIADRO C[C@@H](NC(=O)N1CCc2ccc(Cl)cc2C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182897255 822388247 /nfs/dbraw/zinc/38/82/47/822388247.db2.gz MLFNKSQAPMAPFT-WBVHZDCISA-N 1 0 375.944 4.061 20 0 GIADRO C[C@@H](NC(=O)c1c[nH]nc1-c1ccccc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182898017 822388425 /nfs/dbraw/zinc/38/84/25/822388425.db2.gz FDHYSOHQSYOVJK-CABCVRRESA-N 1 0 386.927 4.113 20 0 GIADRO Cc1ccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c(C)n1 ZINC000178533428 822388784 /nfs/dbraw/zinc/38/87/84/822388784.db2.gz QBJSRLJSMDSYLM-IRLDBZIGSA-N 1 0 378.520 4.217 20 0 GIADRO C[C@@H](NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182899896 822388867 /nfs/dbraw/zinc/38/88/67/822388867.db2.gz ACYHLWFNXMHHRR-CHWSQXEVSA-N 1 0 380.876 4.023 20 0 GIADRO C[NH+]1CCN(c2ccccc2NC(=O)c2ccc(SC(F)(F)F)cc2)CC1 ZINC000045484015 822389681 /nfs/dbraw/zinc/38/96/81/822389681.db2.gz UOZKCDUPHORQTG-UHFFFAOYSA-N 1 0 395.450 4.303 20 0 GIADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2ccc(C(F)(F)F)nc2Cl)C1 ZINC000178544105 822390132 /nfs/dbraw/zinc/39/01/32/822390132.db2.gz FBVHUOWOOLFZCL-CHWSQXEVSA-N 1 0 391.865 4.242 20 0 GIADRO CCOCCC[N@@H+]1CC[C@@H](NCc2sc(C)cc2Br)[C@H](C)C1 ZINC000453592372 822390189 /nfs/dbraw/zinc/39/01/89/822390189.db2.gz RCXIXUNJVHOZKS-CZUORRHYSA-N 1 0 389.403 4.046 20 0 GIADRO CCOc1cc(C[NH2+]CCC2CC(F)(F)C2)cc(Br)c1OC ZINC000453592811 822390203 /nfs/dbraw/zinc/39/02/03/822390203.db2.gz UMBDEFTUFSNIBR-UHFFFAOYSA-N 1 0 378.257 4.381 20 0 GIADRO Cc1cc(Br)c(C[NH2+]CCc2csc(N3CCCC3)n2)s1 ZINC000453595211 822390583 /nfs/dbraw/zinc/39/05/83/822390583.db2.gz VODOQHNVXOLFLC-UHFFFAOYSA-N 1 0 386.384 4.208 20 0 GIADRO Cc1cc(Br)c(C[NH2+]C2CCN(c3ccc(C)cn3)CC2)s1 ZINC000453595330 822390645 /nfs/dbraw/zinc/39/06/45/822390645.db2.gz VUWRRFKECYPFKB-UHFFFAOYSA-N 1 0 380.355 4.281 20 0 GIADRO C[C@@H](NC(=O)N1CCc2[nH]c3ccc(F)cc3c2C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182912599 822391638 /nfs/dbraw/zinc/39/16/38/822391638.db2.gz MFFTXEUWZYWALU-CVEARBPZSA-N 1 0 398.526 4.028 20 0 GIADRO CON1CCC([N@H+](C)Cc2cn(-c3ccccc3)nc2-c2cccs2)CC1 ZINC000453604880 822391799 /nfs/dbraw/zinc/39/17/99/822391799.db2.gz NKSVCQYHFOHESF-UHFFFAOYSA-N 1 0 382.533 4.058 20 0 GIADRO C[C@@H](O)c1ccc(C[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)cc1 ZINC000178557067 822391822 /nfs/dbraw/zinc/39/18/22/822391822.db2.gz HICCGSLZGNWMJX-OAHLLOKOSA-N 1 0 376.903 4.287 20 0 GIADRO C[C@H](O)c1ccc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)cc1 ZINC000178556965 822391825 /nfs/dbraw/zinc/39/18/25/822391825.db2.gz VXUVMQALFFZHBH-IRXDYDNUSA-N 1 0 387.545 4.307 20 0 GIADRO C[C@@H](NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C)c1ccc(OC(F)F)cc1 ZINC000045541629 822394769 /nfs/dbraw/zinc/39/47/69/822394769.db2.gz GYKDAZFFPNKDCG-WBMJQRKESA-N 1 0 383.464 4.013 20 0 GIADRO COc1ccc([C@H](CNC(=O)NCc2ccc(Cl)s2)[NH+]2CCCC2)cc1 ZINC000045543574 822394884 /nfs/dbraw/zinc/39/48/84/822394884.db2.gz UZSMHDJWKNRSOF-KRWDZBQOSA-N 1 0 393.940 4.046 20 0 GIADRO C[C@@H](c1cccc(Cl)c1)N(C)C(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000453622305 822394850 /nfs/dbraw/zinc/39/48/50/822394850.db2.gz VFECSBWVIHTIDE-XOBRGWDASA-N 1 0 399.922 4.047 20 0 GIADRO C[NH+](C)C1(CNC(=O)N(Cc2ccco2)Cc2cccs2)CCCCC1 ZINC000045551629 822395038 /nfs/dbraw/zinc/39/50/38/822395038.db2.gz VHFLJFVFRGYPCE-UHFFFAOYSA-N 1 0 375.538 4.317 20 0 GIADRO Brc1ccc2c(c1)[C@H]([NH2+]CCCOCC1CCOCC1)CCCO2 ZINC000178612513 822396141 /nfs/dbraw/zinc/39/61/41/822396141.db2.gz KWSWIHQIWLYECZ-GOSISDBHSA-N 1 0 398.341 4.086 20 0 GIADRO CC(C)[C@H](c1ccccc1)N(C)C(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000453639995 822397012 /nfs/dbraw/zinc/39/70/12/822397012.db2.gz CZIGGUQEVRYYKB-FGZHOGPDSA-N 1 0 393.531 4.030 20 0 GIADRO Cc1cccc(NC2CCN(C(=O)N[C@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)CC2)c1 ZINC000182947188 822397872 /nfs/dbraw/zinc/39/78/72/822397872.db2.gz FBOVRLUSFRYRKO-WOJBJXKFSA-N 1 0 398.595 4.234 20 0 GIADRO C[C@H]([NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1)c1ccc2ccccc2n1 ZINC000178634376 822398025 /nfs/dbraw/zinc/39/80/25/822398025.db2.gz OQRZZVDGMYGPCF-KRWDZBQOSA-N 1 0 390.483 4.363 20 0 GIADRO CC(C)C(=O)Nc1cccc(NC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000182947986 822398069 /nfs/dbraw/zinc/39/80/69/822398069.db2.gz YTAFBRYEKFWJDN-SJORKVTESA-N 1 0 386.540 4.056 20 0 GIADRO C[C@H](NC(=O)NC1(c2cccc(Cl)c2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182950024 822398434 /nfs/dbraw/zinc/39/84/34/822398434.db2.gz DIOQALTVRANOMY-JKSUJKDBSA-N 1 0 375.944 4.281 20 0 GIADRO CCCOc1ccc([C@H](C)[NH2+]Cc2cccc(C(=O)NC[C@@H]3CCCO3)c2)cc1 ZINC000178640313 822398633 /nfs/dbraw/zinc/39/86/33/822398633.db2.gz JHPALKWCGUPBPP-MBSDFSHPSA-N 1 0 396.531 4.235 20 0 GIADRO C[C@H](NC(=O)N(Cc1ccco1)Cc1ccco1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182951995 822398915 /nfs/dbraw/zinc/39/89/15/822398915.db2.gz ZYFAVUJIIVCQPL-ZWKOTPCHSA-N 1 0 385.508 4.237 20 0 GIADRO Cc1c([C@@H](C)[NH2+]C[C@@H](CCO)c2ccccc2)nnn1-c1ccc(Cl)cc1 ZINC000178651324 822399654 /nfs/dbraw/zinc/39/96/54/822399654.db2.gz SBKTVLQXQDDWKW-CRAIPNDOSA-N 1 0 384.911 4.046 20 0 GIADRO COc1ccc(/C=C/C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000045649124 822402748 /nfs/dbraw/zinc/40/27/48/822402748.db2.gz SNVZYOKCHQEFJX-QYFOZDBKSA-N 1 0 384.907 4.315 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)N2C[C@H](C)C[C@H]2c2cccnc2)c1 ZINC000182976569 822403066 /nfs/dbraw/zinc/40/30/66/822403066.db2.gz QXRNBHQMMHNHBN-GCJKJVERSA-N 1 0 380.536 4.216 20 0 GIADRO CN(Cc1cccc(Cl)c1Cl)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000045658527 822403127 /nfs/dbraw/zinc/40/31/27/822403127.db2.gz AUGSBIKFPNYNGC-HNNXBMFYSA-N 1 0 386.348 4.499 20 0 GIADRO Cc1cc(N2CCC([NH2+][C@H](C)c3ccccc3Br)CC2)nc(C)n1 ZINC000178696076 822403619 /nfs/dbraw/zinc/40/36/19/822403619.db2.gz GCUNCRSAKYXCBC-CQSZACIVSA-N 1 0 389.341 4.176 20 0 GIADRO Cc1nccn1C[C@H](C)C[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000178699623 822403848 /nfs/dbraw/zinc/40/38/48/822403848.db2.gz LPDBWQFKINFCMZ-CXAGYDPISA-N 1 0 378.314 4.094 20 0 GIADRO C[C@H](NC(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000045680516 822404936 /nfs/dbraw/zinc/40/49/36/822404936.db2.gz NQLLCBSCGCYCGW-HNNXBMFYSA-N 1 0 399.457 4.164 20 0 GIADRO CC[C@H](C)NC(=O)CC[NH2+][C@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000178716874 822405307 /nfs/dbraw/zinc/40/53/07/822405307.db2.gz NLYHGSOXVHNSCE-UONOGXRCSA-N 1 0 375.538 4.083 20 0 GIADRO Cc1cccc(NC(=O)CN2CC[NH+]([C@H](C)CCc3cccc(F)c3)CC2)c1C ZINC000182987986 822406103 /nfs/dbraw/zinc/40/61/03/822406103.db2.gz YAPMBFVBJHBNED-LJQANCHMSA-N 1 0 397.538 4.020 20 0 GIADRO O=C(CC[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)Nc1cccc(Cl)c1 ZINC000045696846 822406138 /nfs/dbraw/zinc/40/61/38/822406138.db2.gz MFXWISJAIBAHKA-MRXNPFEDSA-N 1 0 385.895 4.019 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1cccc(N)c1)c1ccc(C(F)(F)F)cc1 ZINC000178734300 822406343 /nfs/dbraw/zinc/40/63/43/822406343.db2.gz UJGRVLLPCSQDLU-GOSISDBHSA-N 1 0 379.426 4.101 20 0 GIADRO Cc1c([C@@H](C)[NH2+]Cc2ccc(-n3cncn3)cc2)cnn1-c1cc(C)ccc1C ZINC000178741791 822406541 /nfs/dbraw/zinc/40/65/41/822406541.db2.gz VIGUYDZGUYLALF-GOSISDBHSA-N 1 0 386.503 4.229 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@H](C)C(=O)N(C)Cc2ccccc2)cnn1-c1ccc(F)cc1 ZINC000182993591 822407353 /nfs/dbraw/zinc/40/73/53/822407353.db2.gz GZAYPXODMDEPJH-DLBZAZTESA-N 1 0 394.494 4.018 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)N[C@H](C)c2cccc(NC(C)=O)c2)c1 ZINC000045719918 822407855 /nfs/dbraw/zinc/40/78/55/822407855.db2.gz QFPMABXNGDOZKX-QGZVFWFLSA-N 1 0 396.535 4.047 20 0 GIADRO C[C@H](Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1)c1ccc(F)cc1Cl ZINC000183007788 822410428 /nfs/dbraw/zinc/41/04/28/822410428.db2.gz NHPVUIYCDVNNCL-ORAYPTAESA-N 1 0 375.875 4.102 20 0 GIADRO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000045755755 822410642 /nfs/dbraw/zinc/41/06/42/822410642.db2.gz CQZZLXZEKXWKKG-MRXNPFEDSA-N 1 0 386.927 4.102 20 0 GIADRO CCOc1ccc(CN(C)C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000045757913 822411009 /nfs/dbraw/zinc/41/10/09/822411009.db2.gz WKBSHPXNJVCBGY-UHFFFAOYSA-N 1 0 395.547 4.200 20 0 GIADRO COc1ccc(C)cc1NC(=O)[C@@H]([NH2+]CCCc1ccccn1)c1ccccc1 ZINC000178799342 822411228 /nfs/dbraw/zinc/41/12/28/822411228.db2.gz IYAOODFZCSHOSK-QHCPKHFHSA-N 1 0 389.499 4.301 20 0 GIADRO Cc1cc([C@H]2CCCN2C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)on1 ZINC000045776854 822412332 /nfs/dbraw/zinc/41/23/32/822412332.db2.gz SEGRTJDPKNJPTP-OAQYLSRUSA-N 1 0 396.535 4.262 20 0 GIADRO CC1CC[NH+](Cc2ccc(CNC(=O)N3CCC[C@H]3c3ccncc3)cc2)CC1 ZINC000045778107 822412582 /nfs/dbraw/zinc/41/25/82/822412582.db2.gz FRRUEIYYBURDKH-QHCPKHFHSA-N 1 0 392.547 4.360 20 0 GIADRO COc1cccc(CN(C)C(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)c1 ZINC000045780267 822413044 /nfs/dbraw/zinc/41/30/44/822413044.db2.gz LPSDAXTXDRXWNF-IBGZPJMESA-N 1 0 395.547 4.411 20 0 GIADRO COc1ccc(CN(C)C(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000045786630 822413478 /nfs/dbraw/zinc/41/34/78/822413478.db2.gz MZWBIBUFQHOZBV-IBGZPJMESA-N 1 0 395.547 4.269 20 0 GIADRO CCN(Cc1ccncc1)C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000045786612 822413522 /nfs/dbraw/zinc/41/35/22/822413522.db2.gz YDGLXJCSVQJGHN-IBGZPJMESA-N 1 0 380.536 4.045 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCc1cc(-c2ccccc2)no1 ZINC000045789901 822414023 /nfs/dbraw/zinc/41/40/23/822414023.db2.gz YYGBQNONOCGGPJ-UHFFFAOYSA-N 1 0 392.503 4.181 20 0 GIADRO CC(C)c1ccc(CN(C)C(=O)NCc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000045793402 822414338 /nfs/dbraw/zinc/41/43/38/822414338.db2.gz HOWNBHFVTMEOES-UHFFFAOYSA-N 1 0 383.536 4.092 20 0 GIADRO CN(Cc1csc2ccccc12)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000045794343 822414383 /nfs/dbraw/zinc/41/43/83/822414383.db2.gz ANSSFGYLSPFQSE-UHFFFAOYSA-N 1 0 397.544 4.183 20 0 GIADRO Cc1cccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)c1C ZINC000045812921 822415726 /nfs/dbraw/zinc/41/57/26/822415726.db2.gz VXODTAAGDUJLKB-IAGOWNOFSA-N 1 0 379.504 4.330 20 0 GIADRO CN(Cc1cccc2ccccc21)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000045813247 822415890 /nfs/dbraw/zinc/41/58/90/822415890.db2.gz LSCSBWBVWHXGNU-UHFFFAOYSA-N 1 0 391.515 4.122 20 0 GIADRO CCN(Cc1ccccc1Cl)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000045815775 822416034 /nfs/dbraw/zinc/41/60/34/822416034.db2.gz VNJHFFMVSDZOCS-UHFFFAOYSA-N 1 0 389.927 4.012 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(C(F)(F)F)cc2)c1 ZINC000045820909 822416689 /nfs/dbraw/zinc/41/66/89/822416689.db2.gz ZFZUKQFSFCSCCU-QWHCGFSZSA-N 1 0 393.409 4.342 20 0 GIADRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(C(F)(F)F)cc2)cc1OC ZINC000045820852 822416745 /nfs/dbraw/zinc/41/67/45/822416745.db2.gz STDJLNMJRRJAGC-QWHCGFSZSA-N 1 0 396.409 4.400 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)Nc2cnc(C(C)(C)C)nc2)CC1 ZINC000183044912 822416884 /nfs/dbraw/zinc/41/68/84/822416884.db2.gz BAQCBPBTUCKHQU-UHFFFAOYSA-N 1 0 375.561 4.140 20 0 GIADRO C[C@@H]([NH3+])C1CCN(C(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)CC1 ZINC000178869118 822417773 /nfs/dbraw/zinc/41/77/73/822417773.db2.gz JZHHFZVYHTWWHE-GFCCVEGCSA-N 1 0 394.302 4.380 20 0 GIADRO CCCCOc1ccc([C@@H](C)[NH2+]Cc2cnc3nc(C)cc(C)n23)cc1OC ZINC000178877543 822418296 /nfs/dbraw/zinc/41/82/96/822418296.db2.gz DEBGHSBKPQVYHB-QGZVFWFLSA-N 1 0 382.508 4.384 20 0 GIADRO COc1cc(-c2ccccc2)ccc1C[NH2+]CCCc1nnc2n1CCCCC2 ZINC000183058165 822418503 /nfs/dbraw/zinc/41/85/03/822418503.db2.gz GZAPTVLWGWFYIN-UHFFFAOYSA-N 1 0 390.531 4.403 20 0 GIADRO CC[C@@H]1C[C@@H](C(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)CCO1 ZINC000183058362 822418523 /nfs/dbraw/zinc/41/85/23/822418523.db2.gz LIUFLZYXWLOEFA-RBBKRZOGSA-N 1 0 380.532 4.237 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)C(=O)Nc3ccc(Cl)cc3Cl)ccc21 ZINC000453983027 822420915 /nfs/dbraw/zinc/42/09/15/822420915.db2.gz KYNUYMWMWDYXPN-KRWDZBQOSA-N 1 0 392.286 4.120 20 0 GIADRO COCCOc1ccc([C@@H](C)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)cc1 ZINC000183077262 822421338 /nfs/dbraw/zinc/42/13/38/822421338.db2.gz QCCDOXCLOQRENY-LJQANCHMSA-N 1 0 398.547 4.089 20 0 GIADRO COc1ccc(OC)c([C@H](C)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)c1 ZINC000183078378 822421612 /nfs/dbraw/zinc/42/16/12/822421612.db2.gz FSMQRMMACFNNJK-KRWDZBQOSA-N 1 0 384.520 4.081 20 0 GIADRO CC(=O)N(c1nc(C[NH2+]CCCc2ccccn2)cs1)c1ccc(F)cc1 ZINC000178935901 822422943 /nfs/dbraw/zinc/42/29/43/822422943.db2.gz VXFIXUOZCHSEPW-UHFFFAOYSA-N 1 0 384.480 4.084 20 0 GIADRO O=C(NCC[C@H]1CC[NH2+]C1)c1sc2cc(C(F)(F)F)ccc2c1Cl ZINC000178954123 822424409 /nfs/dbraw/zinc/42/44/09/822424409.db2.gz ZYZQYOSXCHGARQ-SECBINFHSA-N 1 0 376.831 4.303 20 0 GIADRO Cc1c(NC(=O)NCc2ccccc2C[NH+]2CCCC2)cnn1-c1ccccc1 ZINC000178975367 822425580 /nfs/dbraw/zinc/42/55/80/822425580.db2.gz PSJHMORGJYLFMT-UHFFFAOYSA-N 1 0 389.503 4.098 20 0 GIADRO Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]Cc1ccccc1N1CCOCC1 ZINC000178983653 822426212 /nfs/dbraw/zinc/42/62/12/822426212.db2.gz UBKPSAAUKUGQGM-HXUWFJFHSA-N 1 0 386.923 4.489 20 0 GIADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C3(c4ccc(F)cc4F)CCC3)cc2)CC1 ZINC000183115405 822426425 /nfs/dbraw/zinc/42/64/25/822426425.db2.gz OXANCXQRSVLQAI-UHFFFAOYSA-N 1 0 399.485 4.167 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000045980149 822429343 /nfs/dbraw/zinc/42/93/43/822429343.db2.gz AQSSRODPYRIOEL-QGZVFWFLSA-N 1 0 394.519 4.199 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(C)cc2C)cc1 ZINC000183140328 822429815 /nfs/dbraw/zinc/42/98/15/822429815.db2.gz XIHVCMQRIWSBSY-MSOLQXFVSA-N 1 0 376.504 4.475 20 0 GIADRO CC(C)CC(=O)Nc1ccc(NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000045988841 822431155 /nfs/dbraw/zinc/43/11/55/822431155.db2.gz NRIQDKNJYHPZII-SFHVURJKSA-N 1 0 388.556 4.447 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)[NH2+]Cc2cccc(C(=O)NCC(C)C)c2)cc1 ZINC000183150004 822431615 /nfs/dbraw/zinc/43/16/15/822431615.db2.gz XFYBXWSZDALPIV-SFHVURJKSA-N 1 0 390.531 4.417 20 0 GIADRO CC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(-n3ccnc3C)cc2)cc1 ZINC000183152788 822432105 /nfs/dbraw/zinc/43/21/05/822432105.db2.gz ARYPWPNEIUXNAC-CVEARBPZSA-N 1 0 390.487 4.061 20 0 GIADRO O=C(Nc1cc(C(F)(F)F)ccc1Cl)NC1CC[NH+](C2CCC2)CC1 ZINC000454133463 822432157 /nfs/dbraw/zinc/43/21/57/822432157.db2.gz NCJAODYLYKCPLV-UHFFFAOYSA-N 1 0 375.822 4.497 20 0 GIADRO O=C(c1nc2cc(Cl)ccc2s1)N1CCN(CCc2cccs2)CC1 ZINC000454157133 822433872 /nfs/dbraw/zinc/43/38/72/822433872.db2.gz SGQYDIRMDLVLDX-UHFFFAOYSA-N 1 0 391.949 4.012 20 0 GIADRO Cc1ccc(-c2ncc(C[NH2+]C[C@@H]3CC(=O)N(Cc4ccccc4)C3)s2)cc1 ZINC000179054012 822433891 /nfs/dbraw/zinc/43/38/91/822433891.db2.gz GRLVPQQAAYNKCB-IBGZPJMESA-N 1 0 391.540 4.257 20 0 GIADRO O=C(NCc1coc(-c2ccccc2)n1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000179061231 822434462 /nfs/dbraw/zinc/43/44/62/822434462.db2.gz PYQWLCQTHMPKMM-UHFFFAOYSA-N 1 0 396.535 4.139 20 0 GIADRO Cc1cc2cc(C(=O)NC3CC[NH+](CC4CC4)CC3)oc2c(Br)c1 ZINC000183168020 822434798 /nfs/dbraw/zinc/43/47/98/822434798.db2.gz WGWLRDNIMRCNEY-UHFFFAOYSA-N 1 0 391.309 4.108 20 0 GIADRO CC[C@@H]1c2ccsc2CCN1C(=O)C[NH2+][C@H](C)c1ccccc1-n1cccn1 ZINC000183168364 822434806 /nfs/dbraw/zinc/43/48/06/822434806.db2.gz MHDDUHPVWMPXAU-VQIMIIECSA-N 1 0 394.544 4.120 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(N(C)C)cc1C)c1cccc(OC)c1 ZINC000046030676 822436608 /nfs/dbraw/zinc/43/66/08/822436608.db2.gz SZPDDKZSYQWODS-QFIPXVFZSA-N 1 0 398.551 4.274 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(N(C)C)cc1C)c1cccc(OC)c1 ZINC000046030677 822436614 /nfs/dbraw/zinc/43/66/14/822436614.db2.gz SZPDDKZSYQWODS-JOCHJYFZSA-N 1 0 398.551 4.274 20 0 GIADRO CCOC(=O)C[C@H](C)[N@H+](C)Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000183182285 822436955 /nfs/dbraw/zinc/43/69/55/822436955.db2.gz STODGSNDEVNJLY-HNNXBMFYSA-N 1 0 388.895 4.366 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)Nc2cccc(N(C)C(C)=O)c2)CC1 ZINC000183182280 822437050 /nfs/dbraw/zinc/43/70/50/822437050.db2.gz VDWBYALALQVKQE-UHFFFAOYSA-N 1 0 388.556 4.035 20 0 GIADRO FC(F)(F)c1csc([C@@H]2CCC[N@H+](Cc3cccc4c3OCCO4)C2)n1 ZINC000179092999 822437465 /nfs/dbraw/zinc/43/74/65/822437465.db2.gz ZCBVGMPCNYPOKS-CYBMUJFWSA-N 1 0 384.423 4.313 20 0 GIADRO CC(C)c1cccc2c1OCCC[C@H]2[NH2+]Cc1ccc(Cn2cncn2)cc1 ZINC000179100291 822438117 /nfs/dbraw/zinc/43/81/17/822438117.db2.gz QBARZLILMYKAIQ-JOCHJYFZSA-N 1 0 376.504 4.453 20 0 GIADRO O=C1CCCN1Cc1cccc(C[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)c1 ZINC000179101539 822438274 /nfs/dbraw/zinc/43/82/74/822438274.db2.gz VHFOHZRFYZFRFX-QHCPKHFHSA-N 1 0 390.527 4.301 20 0 GIADRO CC[C@@H](CC(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1ccc(OC)cc1 ZINC000179109782 822439116 /nfs/dbraw/zinc/43/91/16/822439116.db2.gz XOFXSZNXYVRFAY-NRFANRHFSA-N 1 0 394.559 4.402 20 0 GIADRO O=C(NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1)NC(CF)CF ZINC000454219948 822440131 /nfs/dbraw/zinc/44/01/31/822440131.db2.gz AQNKDMGZALEBRO-UHFFFAOYSA-N 1 0 387.474 4.056 20 0 GIADRO CN(C(=O)Nc1ccccc1OC(F)F)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000454219790 822440240 /nfs/dbraw/zinc/44/02/40/822440240.db2.gz SIRMKTIYVLNXPM-UHFFFAOYSA-N 1 0 395.372 4.169 20 0 GIADRO Cc1cccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)c1Br ZINC000179130549 822441226 /nfs/dbraw/zinc/44/12/26/822441226.db2.gz NPHBLNSRTCXBMQ-UHFFFAOYSA-N 1 0 387.321 4.283 20 0 GIADRO CCNC(=O)C(C)(C)C[NH2+][C@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000183210815 822442285 /nfs/dbraw/zinc/44/22/85/822442285.db2.gz SPVBXSLKDGXKBI-HNNXBMFYSA-N 1 0 375.513 4.079 20 0 GIADRO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)N(CCC[NH3+])c1cccc(F)c1 ZINC000183219291 822443428 /nfs/dbraw/zinc/44/34/28/822443428.db2.gz FJGXJQBONBCUBZ-AWEZNQCLSA-N 1 0 397.416 4.417 20 0 GIADRO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)c1 ZINC000183227283 822444418 /nfs/dbraw/zinc/44/44/18/822444418.db2.gz HQHYMXSBGJQTTC-DSKINZAPSA-N 1 0 389.923 4.146 20 0 GIADRO COc1cccc([C@H]2[C@@H](NC(=O)c3ccc(F)cc3Cl)CC[N@@H+]2C2CC2)c1 ZINC000183231793 822445119 /nfs/dbraw/zinc/44/51/19/822445119.db2.gz ASKPIIZVJMSEGQ-PMACEKPBSA-N 1 0 388.870 4.196 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@@]2(CCSC2)C1)c1ccsc1 ZINC000454260093 822445293 /nfs/dbraw/zinc/44/52/93/822445293.db2.gz LAXDEWNRJPFWCZ-IEBWSBKVSA-N 1 0 381.611 4.060 20 0 GIADRO COC[C@H]([NH2+]CCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(F)c(F)c1 ZINC000183235042 822445747 /nfs/dbraw/zinc/44/57/47/822445747.db2.gz UPOYEJZMOGEXGG-KRWDZBQOSA-N 1 0 393.821 4.188 20 0 GIADRO Cc1cc(C[N@@H+]2CCC[C@H](C3(C)OCCO3)C2)cc(C)c1OCc1ccccn1 ZINC000183236609 822446187 /nfs/dbraw/zinc/44/61/87/822446187.db2.gz VSLHFCIBANIZBV-NRFANRHFSA-N 1 0 396.531 4.252 20 0 GIADRO COc1ccc(-c2nc(CN3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cs2)cc1 ZINC000179170323 822446809 /nfs/dbraw/zinc/44/68/09/822446809.db2.gz ZOUAQKCNHZBWAF-DYESRHJHSA-N 1 0 383.561 4.267 20 0 GIADRO c1sc(COc2ccccc2)nc1CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000179181269 822447841 /nfs/dbraw/zinc/44/78/41/822447841.db2.gz WYDNOIOXBOFPHS-UTKZUKDTSA-N 1 0 383.561 4.171 20 0 GIADRO CN(CC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)C(=O)c1cccs1 ZINC000046189679 822448448 /nfs/dbraw/zinc/44/84/48/822448448.db2.gz TWTFDZINQPNXSL-UHFFFAOYSA-N 1 0 399.560 4.223 20 0 GIADRO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3ccc(-c4nc5ccccc5s4)cc3)C[C@@H]21 ZINC000454277728 822448939 /nfs/dbraw/zinc/44/89/39/822448939.db2.gz NQUUMZZABAIYNS-QAPCUYQASA-N 1 0 378.501 4.131 20 0 GIADRO CCCc1ncc(CNC(=O)NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)o1 ZINC000454278639 822449400 /nfs/dbraw/zinc/44/94/00/822449400.db2.gz WRIJIAUJFWWBBJ-HDICACEKSA-N 1 0 398.551 4.104 20 0 GIADRO C[C@@H](N[C@H](C[NH+]1CCCC1)c1ccccc1)c1ncc(Br)s1 ZINC000179197401 822449561 /nfs/dbraw/zinc/44/95/61/822449561.db2.gz ZFBIPVWIMKOBRZ-UKRRQHHQSA-N 1 0 380.355 4.393 20 0 GIADRO COc1cccc([C@H]2[C@@H](NC(=O)c3ccccc3SC)CC[N@@H+]2C2CC2)c1 ZINC000183269898 822451424 /nfs/dbraw/zinc/45/14/24/822451424.db2.gz OAHKLEBKOFZNCO-FPOVZHCZSA-N 1 0 382.529 4.125 20 0 GIADRO COc1cccc([C@@H]2[C@H](NC(=O)c3c[nH]c4cc(F)ccc34)CC[N@@H+]2C2CC2)c1 ZINC000183271958 822451703 /nfs/dbraw/zinc/45/17/03/822451703.db2.gz WTLVPLJYQDKFDL-IFMALSPDSA-N 1 0 393.462 4.023 20 0 GIADRO CC1(C)CN(C(=O)Nc2ccccn2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000454289982 822452106 /nfs/dbraw/zinc/45/21/06/822452106.db2.gz CXNSZSSBOXDTNO-NRFANRHFSA-N 1 0 378.520 4.236 20 0 GIADRO Cc1cc(F)ccc1[C@H]1CCCN1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000454291709 822452522 /nfs/dbraw/zinc/45/25/22/822452522.db2.gz OKQXLXXOEGPZCV-JOCHJYFZSA-N 1 0 396.510 4.040 20 0 GIADRO COc1cccc(N2CC[C@H](C[NH2+][C@H](C)c3ncc(Br)s3)C2)c1 ZINC000179222505 822453287 /nfs/dbraw/zinc/45/32/87/822453287.db2.gz DYRRHUZUXPMBQV-CHWSQXEVSA-N 1 0 396.354 4.091 20 0 GIADRO C[C@@H](NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ncc(Br)s1 ZINC000179223973 822453549 /nfs/dbraw/zinc/45/35/49/822453549.db2.gz BKDFYRPNRABAKG-GDBMZVCRSA-N 1 0 394.382 4.121 20 0 GIADRO C[C@@H]([NH2+]CCCCCC(=O)OC(C)(C)C)c1ncc(Br)s1 ZINC000179235486 822455303 /nfs/dbraw/zinc/45/53/03/822455303.db2.gz BOGWQYYWJNKJHC-LLVKDONJSA-N 1 0 377.348 4.458 20 0 GIADRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1cnc2ccc(F)cc2c1 ZINC000179232665 822454689 /nfs/dbraw/zinc/45/46/89/822454689.db2.gz OSYGQZGNGWIZDT-UHFFFAOYSA-N 1 0 395.503 4.483 20 0 GIADRO CCC1(COC(=O)CCc2nnc(C(C)C)o2)CC[NH+](Cc2ccccc2)CC1 ZINC000183295577 822454728 /nfs/dbraw/zinc/45/47/28/822454728.db2.gz RIVHRWJLRLFIRV-UHFFFAOYSA-N 1 0 399.535 4.361 20 0 GIADRO CCOc1cc(NC(=O)NC[C@@H](c2ccsc2)[NH+](CC)CC)ccc1OC ZINC000046253272 822455668 /nfs/dbraw/zinc/45/56/68/822455668.db2.gz BXNBLHQPAPXPEX-KRWDZBQOSA-N 1 0 391.537 4.360 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)NC[C@H]2CCCCC2(F)F)CC1 ZINC000454324289 822458009 /nfs/dbraw/zinc/45/80/09/822458009.db2.gz VMBBVHSWHQLUJT-GOSISDBHSA-N 1 0 379.495 4.084 20 0 GIADRO C[C@H](C[NH2+][C@@H](c1nccn1C)C1CC1)Sc1ccc(Br)cc1 ZINC000183322200 822458941 /nfs/dbraw/zinc/45/89/41/822458941.db2.gz WBINSVABHZGYSX-MLGOLLRUSA-N 1 0 380.355 4.404 20 0 GIADRO CCC(=O)Nc1ccc(NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000179265991 822459105 /nfs/dbraw/zinc/45/91/05/822459105.db2.gz YRYGQANWUALQCV-UHFFFAOYSA-N 1 0 386.540 4.155 20 0 GIADRO C[C@H]([NH2+]CCOc1c(Cl)cc(Br)cc1Cl)c1cnccn1 ZINC000183330712 822459705 /nfs/dbraw/zinc/45/97/05/822459705.db2.gz UYPXEQQFMGIQFB-VIFPVBQESA-N 1 0 391.096 4.276 20 0 GIADRO Nc1c(Cl)cc(C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1Cl ZINC000179280779 822460506 /nfs/dbraw/zinc/46/05/06/822460506.db2.gz PGODEWOFFNHNQR-UHFFFAOYSA-N 1 0 378.303 4.101 20 0 GIADRO O=C1Nc2ccccc2C12CCC([NH2+][C@H]1CCN(c3ccc(Cl)cc3)C1)CC2 ZINC000183337454 822460611 /nfs/dbraw/zinc/46/06/11/822460611.db2.gz DEVILJBNGIZQPE-OTQYULQBSA-N 1 0 395.934 4.341 20 0 GIADRO C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@@H]1CCCOCC1 ZINC000183339392 822460894 /nfs/dbraw/zinc/46/08/94/822460894.db2.gz TVKDFKMPTKGUQD-NWDGAFQWSA-N 1 0 378.822 4.235 20 0 GIADRO CC1(CNC(=O)[C@H](Sc2ccc(F)cc2F)c2ccccc2)CC[NH2+]CC1 ZINC000183340964 822461212 /nfs/dbraw/zinc/46/12/12/822461212.db2.gz CDMZCXIGHHTIQV-LJQANCHMSA-N 1 0 390.499 4.304 20 0 GIADRO COC(=O)COc1ccccc1[C@@H](C)[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000183349483 822462207 /nfs/dbraw/zinc/46/22/07/822462207.db2.gz CRVLRERKEGWFCA-CXAGYDPISA-N 1 0 375.465 4.265 20 0 GIADRO COc1cccc([C@H](CNC(=O)c2ccc([C@H](C)C(F)(F)F)cc2)[NH+](C)C)c1 ZINC000454364330 822462542 /nfs/dbraw/zinc/46/25/42/822462542.db2.gz CTYQYGCYBHNFQT-LIRRHRJNSA-N 1 0 394.437 4.394 20 0 GIADRO COc1ccc(C[NH2+]Cc2cn(Cc3ccccc3)nc2C(C)(C)C)cc1O ZINC000179300682 822462783 /nfs/dbraw/zinc/46/27/83/822462783.db2.gz KCTWEPBKOUHVTH-UHFFFAOYSA-N 1 0 379.504 4.233 20 0 GIADRO COC(=O)COc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000183358438 822463352 /nfs/dbraw/zinc/46/33/52/822463352.db2.gz XAEMHCNVSLHPQJ-UONOGXRCSA-N 1 0 379.403 4.252 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)c1C ZINC000454369702 822463662 /nfs/dbraw/zinc/46/36/62/822463662.db2.gz ATFZIGUYVKIAFJ-UHFFFAOYSA-N 1 0 388.556 4.318 20 0 GIADRO O[C@H](COCc1ccccc1F)C[N@H+](Cc1ccco1)Cc1cccs1 ZINC000046344353 822463769 /nfs/dbraw/zinc/46/37/69/822463769.db2.gz ZORNQLGLFKUXRG-KRWDZBQOSA-N 1 0 375.465 4.060 20 0 GIADRO Fc1ccc(Br)c2c1CC[C@H]2[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000179314799 822464847 /nfs/dbraw/zinc/46/48/47/822464847.db2.gz BHGVUWNLBIZWQO-CQSZACIVSA-N 1 0 395.238 4.192 20 0 GIADRO CSc1ccc([C@H](CNC(=O)Nc2ccc3nc(C)oc3c2)[NH+](C)C)cc1 ZINC000454376823 822465084 /nfs/dbraw/zinc/46/50/84/822465084.db2.gz LCDITVDHIILTNG-SFHVURJKSA-N 1 0 384.505 4.283 20 0 GIADRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C[C@@H](c2ccco2)N2CCCCC2)CC1 ZINC000183379272 822465972 /nfs/dbraw/zinc/46/59/72/822465972.db2.gz OUSKPOPULBWDPY-MOPGFXCFSA-N 1 0 391.556 4.186 20 0 GIADRO CCOc1ccc(SCC(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000046375079 822467204 /nfs/dbraw/zinc/46/72/04/822467204.db2.gz MENXBJBSTCOOAT-UHFFFAOYSA-N 1 0 384.545 4.090 20 0 GIADRO Cn1cc(C[NH+]2CCC(C(=O)c3ccc(Cl)cc3)CC2)c(-c2ccncc2)n1 ZINC000179345758 822468618 /nfs/dbraw/zinc/46/86/18/822468618.db2.gz AAZNNXCEDOCYJY-UHFFFAOYSA-N 1 0 394.906 4.230 20 0 GIADRO COC(=O)COc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000183405941 822469194 /nfs/dbraw/zinc/46/91/94/822469194.db2.gz JVNCNRVTBWCENL-WCAVRKLYSA-N 1 0 383.488 4.057 20 0 GIADRO C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000454404955 822470227 /nfs/dbraw/zinc/47/02/27/822470227.db2.gz KTAGYJNMCBXMDB-ZBFHGGJFSA-N 1 0 375.479 4.013 20 0 GIADRO CN(Cc1c(F)cccc1F)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000454408155 822470598 /nfs/dbraw/zinc/47/05/98/822470598.db2.gz ANSLQCGWSOZOSB-OAHLLOKOSA-N 1 0 393.503 4.080 20 0 GIADRO Cc1c2cccc(F)c2oc1C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000046404469 822470653 /nfs/dbraw/zinc/47/06/53/822470653.db2.gz PUWPQSBNYFMWDZ-UHFFFAOYSA-N 1 0 381.451 4.275 20 0 GIADRO COc1cc(-c2ccccc2)ccc1C[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000183421123 822472005 /nfs/dbraw/zinc/47/20/05/822472005.db2.gz YNXWYEGUAGDLMP-OAQYLSRUSA-N 1 0 388.515 4.280 20 0 GIADRO COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1cc(C)sc1C ZINC000179374372 822473140 /nfs/dbraw/zinc/47/31/40/822473140.db2.gz ITUYHQLAWPBGCM-CHWSQXEVSA-N 1 0 389.521 4.010 20 0 GIADRO COc1cc(-c2ccccc2)ccc1C[NH+]1CCC([C@H](O)c2nccn2C)CC1 ZINC000183429743 822473825 /nfs/dbraw/zinc/47/38/25/822473825.db2.gz HWQNWPJJXJNXBJ-QHCPKHFHSA-N 1 0 391.515 4.041 20 0 GIADRO COc1cc(F)c([C@@H](C)[NH2+]C[C@@H](O)COc2ccccc2C(C)C)cc1OC ZINC000183434604 822474531 /nfs/dbraw/zinc/47/45/31/822474531.db2.gz BLQSYFRFKVYEDH-HZPDHXFCSA-N 1 0 391.483 4.057 20 0 GIADRO C[C@H]([NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1)c1ccccc1O ZINC000183445136 822476045 /nfs/dbraw/zinc/47/60/45/822476045.db2.gz YIFUYGPIDYAUII-GJZGRUSLSA-N 1 0 375.310 4.332 20 0 GIADRO C[C@@H]([NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1)c1ccccc1O ZINC000183445159 822476095 /nfs/dbraw/zinc/47/60/95/822476095.db2.gz YIFUYGPIDYAUII-CABCVRRESA-N 1 0 375.310 4.332 20 0 GIADRO COc1ccc(NC(=[NH2+])NCCc2csc(-c3ccc(Cl)cc3)n2)cc1 ZINC000179394733 822476578 /nfs/dbraw/zinc/47/65/78/822476578.db2.gz WCDVVKYHMNYISQ-UHFFFAOYSA-N 1 0 386.908 4.441 20 0 GIADRO CN1CC[C@H](C[NH2+]Cc2cccc3c2OCCO3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179396029 822476844 /nfs/dbraw/zinc/47/68/44/822476844.db2.gz BXXWTBLEAWNUPF-QRWLVFNGSA-N 1 0 390.886 4.033 20 0 GIADRO O=C(Nc1ccccc1)C1CC[NH+](C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000179398903 822477121 /nfs/dbraw/zinc/47/71/21/822477121.db2.gz WVDIYDDOOVNVAT-LJQANCHMSA-N 1 0 393.314 4.378 20 0 GIADRO Cc1nc2cc(NC(=O)N(C)CCC3CCN(c4cc[nH+]cc4)CC3)ccc2o1 ZINC000179405537 822478019 /nfs/dbraw/zinc/47/80/19/822478019.db2.gz QZJHWYYPRCODAE-UHFFFAOYSA-N 1 0 393.491 4.302 20 0 GIADRO CC[C@H]([NH2+]Cc1cccc(C(=O)NC[C@H]2CCCO2)c1)c1cc(C)ccc1OC ZINC000179408178 822478666 /nfs/dbraw/zinc/47/86/66/822478666.db2.gz BRLBZHRSLSMXOL-IRLDBZIGSA-N 1 0 396.531 4.153 20 0 GIADRO Cc1cc2ncc([C@@H](C)[NH2+]CC3(c4ccc(Cl)cc4)CCOCC3)c(C)n2n1 ZINC000179412779 822479018 /nfs/dbraw/zinc/47/90/18/822479018.db2.gz LPKSIJNFZLCVDR-MRXNPFEDSA-N 1 0 398.938 4.399 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)cc1 ZINC000046507480 822479249 /nfs/dbraw/zinc/47/92/49/822479249.db2.gz MRLXGVRGXXBYGB-QFIPXVFZSA-N 1 0 382.504 4.339 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(F)c(OC(C)(C)C)c(F)c2)C1 ZINC000183467328 822479358 /nfs/dbraw/zinc/47/93/58/822479358.db2.gz IROKYWZWXNUSPF-AWEZNQCLSA-N 1 0 383.483 4.338 20 0 GIADRO CCN(CC)[C@@H](C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1ccco1 ZINC000183468519 822479594 /nfs/dbraw/zinc/47/95/94/822479594.db2.gz XYSVREOKHYBBQI-MSOLQXFVSA-N 1 0 379.545 4.042 20 0 GIADRO CCN(CC)[C@H](C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1ccco1 ZINC000183468577 822479838 /nfs/dbraw/zinc/47/98/38/822479838.db2.gz XYSVREOKHYBBQI-ZWKOTPCHSA-N 1 0 379.545 4.042 20 0 GIADRO Cc1ccc(C(=O)N2CCC([NH2+][C@@H](C)c3nc4c(s3)CCCC4)CC2)cc1 ZINC000179421677 822480163 /nfs/dbraw/zinc/48/01/63/822480163.db2.gz WDHZGFQNCFJHKB-INIZCTEOSA-N 1 0 383.561 4.286 20 0 GIADRO Fc1ccc([C@H](Cn2cnc3ccccc32)[NH2+]Cc2cccc3nccn32)cc1 ZINC000179423394 822480311 /nfs/dbraw/zinc/48/03/11/822480311.db2.gz GHCKWTHPWFOYIK-NRFANRHFSA-N 1 0 385.446 4.354 20 0 GIADRO C[C@H]([NH2+]C[C@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1)c1nccs1 ZINC000179423293 822480347 /nfs/dbraw/zinc/48/03/47/822480347.db2.gz SWCKWOQCOHPFRS-WMLDXEAASA-N 1 0 379.957 4.299 20 0 GIADRO Cc1cc2ncc([C@H](C)[NH2+]C[C@@H](O)c3cc(Cl)cc(Cl)c3)c(C)n2n1 ZINC000179432686 822481724 /nfs/dbraw/zinc/48/17/24/822481724.db2.gz IURHYBUKONQJKQ-APPDUMDISA-N 1 0 379.291 4.037 20 0 GIADRO C[C@@H](NC(=O)Nc1cc(Br)ccc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183480010 822482362 /nfs/dbraw/zinc/48/23/62/822482362.db2.gz DDPSFUQYZGIBBE-CHWSQXEVSA-N 1 0 398.320 4.363 20 0 GIADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000179447364 822484555 /nfs/dbraw/zinc/48/45/55/822484555.db2.gz HNBZFRIYUFCPKC-IBGZPJMESA-N 1 0 393.531 4.037 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccc(CSC(F)F)o2)C1)C(=O)OC(C)(C)C ZINC000179450734 822484961 /nfs/dbraw/zinc/48/49/61/822484961.db2.gz SMGSHVJJZFPUOJ-ZDUSSCGKSA-N 1 0 390.496 4.424 20 0 GIADRO Cc1c([C@@H](C)[NH2+]CCc2coc(-c3ccc(F)cc3)n2)cnn1-c1ccccn1 ZINC000179453602 822485180 /nfs/dbraw/zinc/48/51/80/822485180.db2.gz XFICSNOUZGOZAG-OAHLLOKOSA-N 1 0 391.450 4.263 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)NC[C@@H](C)c1nc(C)cs1 ZINC000183501599 822486673 /nfs/dbraw/zinc/48/66/73/822486673.db2.gz DFDPLVNIBYNJNG-OAHLLOKOSA-N 1 0 390.553 4.097 20 0 GIADRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C[C@H](O)c2ccc3ccccc3c2)CC1 ZINC000183505295 822487356 /nfs/dbraw/zinc/48/73/56/822487356.db2.gz DRISONXJVDYEEC-SFTDATJTSA-N 1 0 384.520 4.252 20 0 GIADRO CC[N@H+](Cc1c(C)nn(CC(=O)OC(C)C)c1C)[C@@H](C)c1cccc(OC)c1 ZINC000179470223 822487492 /nfs/dbraw/zinc/48/74/92/822487492.db2.gz SLDVQZGXFUNIQU-KRWDZBQOSA-N 1 0 387.524 4.043 20 0 GIADRO C[C@H](C[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1)c1nc(-c2ccccc2)no1 ZINC000179478476 822488394 /nfs/dbraw/zinc/48/83/94/822488394.db2.gz FTVUPNDVDVJZOE-IAGOWNOFSA-N 1 0 390.487 4.318 20 0 GIADRO C[N@@H+]1CC[C@H](NC(=O)Nc2ccccc2OCC(F)(F)F)[C@@H]1c1ccccc1 ZINC000179479002 822488575 /nfs/dbraw/zinc/48/85/75/822488575.db2.gz ZYXJZIIVLBVBNQ-WMZOPIPTSA-N 1 0 393.409 4.195 20 0 GIADRO COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](C)c1nc(-c3ccccc3)no1)CCCO2 ZINC000179479319 822488751 /nfs/dbraw/zinc/48/87/51/822488751.db2.gz FEKJPVJTWLWGMV-BEFAXECRSA-N 1 0 379.460 4.352 20 0 GIADRO COc1cc([C@@H](C)[NH2+]C[C@@H](C)c2nc(-c3ccccc3)no2)cc(OC)c1OC ZINC000179479373 822488783 /nfs/dbraw/zinc/48/87/83/822488783.db2.gz MZIZWYIBAAJWNW-HUUCEWRRSA-N 1 0 397.475 4.217 20 0 GIADRO Cc1cccc(NC2CCN(C(=O)N[C@@H]3CC[N@@H+](C)[C@@H]3c3ccccc3)CC2)c1 ZINC000179481324 822488918 /nfs/dbraw/zinc/48/89/18/822488918.db2.gz IXRHUASTXCDDCX-DHIUTWEWSA-N 1 0 392.547 4.026 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCC[C@]3(CCSC3)C2)CC1 ZINC000454519014 822489945 /nfs/dbraw/zinc/48/99/45/822489945.db2.gz OBKKMTGJJFKFBV-GCJKJVERSA-N 1 0 387.593 4.141 20 0 GIADRO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]C[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000179487268 822490046 /nfs/dbraw/zinc/49/00/46/822490046.db2.gz ZOGKLFSHWHHGOQ-IPELMVKDSA-N 1 0 387.593 4.035 20 0 GIADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@H](C)c2cccc(C3CC3)c2)[C@H](C)C1 ZINC000454520788 822490567 /nfs/dbraw/zinc/49/05/67/822490567.db2.gz PLVXIDBHSPYURQ-HMFYCAOWSA-N 1 0 387.568 4.061 20 0 GIADRO CC(C)Sc1ccccc1C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000183536519 822491525 /nfs/dbraw/zinc/49/15/25/822491525.db2.gz GVDOMNHOZMRJSZ-FQEVSTJZSA-N 1 0 398.572 4.074 20 0 GIADRO C[C@H]([NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1cccc(-n2ccnc2)c1 ZINC000183537538 822491736 /nfs/dbraw/zinc/49/17/36/822491736.db2.gz GMWAQJKCFWEMCE-HKUYNNGSSA-N 1 0 384.524 4.313 20 0 GIADRO C[C@H](NC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)c1cccc(OC(F)F)c1 ZINC000046609380 822491781 /nfs/dbraw/zinc/49/17/81/822491781.db2.gz MKRKBQIYYHEDHY-HOTGVXAUSA-N 1 0 383.483 4.303 20 0 GIADRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]CCc2nc(C(F)(F)F)cs2)CC1 ZINC000183538065 822492015 /nfs/dbraw/zinc/49/20/15/822492015.db2.gz PYIIASLJFAQCMY-GFCCVEGCSA-N 1 0 393.475 4.084 20 0 GIADRO O=C1Nc2ccccc2C12CCC([NH2+][C@H]1CCCN(c3ccccc3F)C1)CC2 ZINC000179500013 822492133 /nfs/dbraw/zinc/49/21/33/822492133.db2.gz QOCZKYAPFPLADK-JZGPVCMCSA-N 1 0 393.506 4.217 20 0 GIADRO Cc1cc(NC(=O)NCC[C@@H](C)[NH+]2CCCCC2)ccc1NC(=O)c1ccco1 ZINC000183541909 822492460 /nfs/dbraw/zinc/49/24/60/822492460.db2.gz XRGVBKCEBLLUMO-QGZVFWFLSA-N 1 0 398.507 4.226 20 0 GIADRO COC(=O)COc1ccccc1[C@@H](C)[NH2+]Cc1ccc(OC)cc1C(F)(F)F ZINC000183543278 822492689 /nfs/dbraw/zinc/49/26/89/822492689.db2.gz OHXAAERHOMUSGV-CYBMUJFWSA-N 1 0 397.393 4.117 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)c1ccccc1O ZINC000183556168 822494442 /nfs/dbraw/zinc/49/44/42/822494442.db2.gz JNKCPHJYTFGPKK-DGCLKSJQSA-N 1 0 385.817 4.389 20 0 GIADRO CCc1sc(C(=O)NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1C ZINC000046623603 822494458 /nfs/dbraw/zinc/49/44/58/822494458.db2.gz TUNFDXGRZJJVIU-CALCHBBNSA-N 1 0 386.561 4.158 20 0 GIADRO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@H](C)c1ccc(Cl)cc1Cl ZINC000179515886 822494813 /nfs/dbraw/zinc/49/48/13/822494813.db2.gz LWPWJGPRHWFKIO-CHWSQXEVSA-N 1 0 376.287 4.443 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1ccccc1-n1cccn1 ZINC000183559785 822494887 /nfs/dbraw/zinc/49/48/87/822494887.db2.gz ZJTBGHXDDWBUGG-QZTJIDSGSA-N 1 0 384.524 4.313 20 0 GIADRO CCn1nc(C)c(NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)c1C ZINC000179516519 822495145 /nfs/dbraw/zinc/49/51/45/822495145.db2.gz YXBHIIGGLGYBAO-INIZCTEOSA-N 1 0 383.540 4.073 20 0 GIADRO CCOc1ccc(-c2nc(C(=O)NCc3ccccc3C[NH+](C)C)cs2)cc1 ZINC000046629467 822495663 /nfs/dbraw/zinc/49/56/63/822495663.db2.gz BXAPTCJSNZKKNK-UHFFFAOYSA-N 1 0 395.528 4.200 20 0 GIADRO Cc1nc2c(s1)[C@H]([NH2+][C@H]1CCN(c3ccc(Cl)c(F)c3)C1=O)CCC2 ZINC000179520278 822495888 /nfs/dbraw/zinc/49/58/88/822495888.db2.gz OZHIRPAWVLQQRS-CVEARBPZSA-N 1 0 379.888 4.017 20 0 GIADRO CCn1nc(C)c(NC(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)c1C ZINC000179519920 822495933 /nfs/dbraw/zinc/49/59/33/822495933.db2.gz SEAGMVPKTHNAHA-UHFFFAOYSA-N 1 0 383.540 4.073 20 0 GIADRO CC(C)n1c2ccccc2nc1[C@@H]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000183569247 822495937 /nfs/dbraw/zinc/49/59/37/822495937.db2.gz QBYDPJNICHMKLT-QGZVFWFLSA-N 1 0 391.519 4.098 20 0 GIADRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2oc3ccccc3c2C)c(OC)c1 ZINC000183573590 822496439 /nfs/dbraw/zinc/49/64/39/822496439.db2.gz NNDUIOVDTRGGDV-GJZGRUSLSA-N 1 0 382.460 4.436 20 0 GIADRO COCCOc1ccc([C@H](C)[NH2+][C@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000179523496 822496544 /nfs/dbraw/zinc/49/65/44/822496544.db2.gz XIVWGJNGJGVOEP-UZQPLGKSSA-N 1 0 390.474 4.086 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1Cl)c1cccc(-n2cccn2)c1 ZINC000183594826 822498817 /nfs/dbraw/zinc/49/88/17/822498817.db2.gz OPICYUVOPMSVOB-CYBMUJFWSA-N 1 0 389.286 4.468 20 0 GIADRO C[C@@H](CCNC(=O)Nc1cccc(OCc2cscn2)c1)[NH+]1CCCCC1 ZINC000183595285 822498872 /nfs/dbraw/zinc/49/88/72/822498872.db2.gz KXEZBUQIZWXONH-INIZCTEOSA-N 1 0 388.537 4.108 20 0 GIADRO CCn1nc(C)c(NC(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)c1C ZINC000179534904 822498949 /nfs/dbraw/zinc/49/89/49/822498949.db2.gz XEXUBLLLGOZEFT-UHFFFAOYSA-N 1 0 383.540 4.073 20 0 GIADRO CC1(C)CN(C(=O)NCCC(F)(F)F)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000454580067 822500395 /nfs/dbraw/zinc/50/03/95/822500395.db2.gz WJHIQDREHDWNGC-SFHVURJKSA-N 1 0 397.485 4.271 20 0 GIADRO CCOc1ccc(C(F)(F)F)cc1NC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000454584853 822501350 /nfs/dbraw/zinc/50/13/50/822501350.db2.gz HQQHHIJGHLMGNL-GOSISDBHSA-N 1 0 385.430 4.054 20 0 GIADRO CCCCNC(=O)C1([NH2+]Cc2sc(C)nc2C(F)(F)F)CCCCC1 ZINC000183615184 822501665 /nfs/dbraw/zinc/50/16/65/822501665.db2.gz YPUINNHZSNHGQG-UHFFFAOYSA-N 1 0 377.476 4.179 20 0 GIADRO CCC[C@@H]1C[C@@H](C(=O)Nc2cc(C[NH+]3CCSCC3)ccc2C)CCO1 ZINC000183616633 822501911 /nfs/dbraw/zinc/50/19/11/822501911.db2.gz LDJXTRZQKPWGQN-RBUKOAKNSA-N 1 0 376.566 4.078 20 0 GIADRO CC1CC[NH+]([C@@H](CNC(=O)c2ccn(-c3ccccc3)n2)c2cccs2)CC1 ZINC000046672966 822502286 /nfs/dbraw/zinc/50/22/86/822502286.db2.gz SGQGGTFFASQDPB-FQEVSTJZSA-N 1 0 394.544 4.137 20 0 GIADRO Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000183627898 822503184 /nfs/dbraw/zinc/50/31/84/822503184.db2.gz DOANYAGITHRKHX-BEFAXECRSA-N 1 0 383.540 4.002 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+][C@H](C)c2cccc(F)c2F)c1 ZINC000179559023 822503413 /nfs/dbraw/zinc/50/34/13/822503413.db2.gz NREBXCAGFKGYIX-CHWSQXEVSA-N 1 0 378.419 4.050 20 0 GIADRO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H](C)c2cccc(F)c2F)c(OC)c1 ZINC000179558517 822503444 /nfs/dbraw/zinc/50/34/44/822503444.db2.gz HRXLUWNAYWRQLQ-QWHCGFSZSA-N 1 0 378.419 4.050 20 0 GIADRO CCOCc1cc(C[NH+]2CCC([C@@H](O)c3ccc(F)cc3)CC2)ccc1OC ZINC000179561549 822503853 /nfs/dbraw/zinc/50/38/53/822503853.db2.gz RRJXQPCBSWEEDH-QHCPKHFHSA-N 1 0 387.495 4.316 20 0 GIADRO CC[C@H]([NH2+][C@H]1CCCc2cc(F)ccc21)c1ccccc1OCC(=O)N(C)C ZINC000179561469 822503916 /nfs/dbraw/zinc/50/39/16/822503916.db2.gz JHIOYFMPZVGPDF-SFTDATJTSA-N 1 0 384.495 4.411 20 0 GIADRO Cc1nc(C(F)(F)F)c(C[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)s1 ZINC000183643041 822505446 /nfs/dbraw/zinc/50/54/46/822505446.db2.gz MSBHABYRFXABJC-SNVBAGLBSA-N 1 0 385.411 4.278 20 0 GIADRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3sc(C)nc3C(F)(F)F)ccc2NC1=O ZINC000183644588 822505697 /nfs/dbraw/zinc/50/56/97/822505697.db2.gz GHZFRYLMHGXYBW-RNCFNFMXSA-N 1 0 399.438 4.431 20 0 GIADRO COc1ccc(-c2noc(C[NH2+][C@@H](Cc3ccc(F)cc3)C(C)C)n2)c(OC)c1 ZINC000183648961 822506092 /nfs/dbraw/zinc/50/60/92/822506092.db2.gz PLMYWBZHVGGJDL-IBGZPJMESA-N 1 0 399.466 4.250 20 0 GIADRO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC000183652513 822506331 /nfs/dbraw/zinc/50/63/31/822506331.db2.gz VYLFWJJPQKMUQB-SFHVURJKSA-N 1 0 398.507 4.286 20 0 GIADRO C[C@H](NC(=O)Nc1ccc(F)cc1OCC(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183654429 822506462 /nfs/dbraw/zinc/50/64/62/822506462.db2.gz NACPSAJOHDWNRH-KBPBESRZSA-N 1 0 399.457 4.244 20 0 GIADRO Cc1cc(NC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)nn1-c1cccc(F)c1 ZINC000183656975 822506765 /nfs/dbraw/zinc/50/67/65/822506765.db2.gz KAHQWBSMZQCWKB-IRXDYDNUSA-N 1 0 399.514 4.094 20 0 GIADRO Cc1cc2cc(C(=O)N3CC[C@H](C[NH+]4CCCC4)C3)oc2c(Br)c1 ZINC000183657449 822507019 /nfs/dbraw/zinc/50/70/19/822507019.db2.gz VVNSQRQQWHWQEU-CQSZACIVSA-N 1 0 391.309 4.062 20 0 GIADRO C[C@@H](Cn1cc(Br)cn1)[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000179589917 822508231 /nfs/dbraw/zinc/50/82/31/822508231.db2.gz BBXLXTDEZHWGCN-IINYFYTJSA-N 1 0 394.210 4.457 20 0 GIADRO CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+][C@H](C)c2ccc(Cl)cc2)C1 ZINC000183667554 822508292 /nfs/dbraw/zinc/50/82/92/822508292.db2.gz POJHKSFXUVQICD-CQSZACIVSA-N 1 0 381.900 4.043 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]C[C@H](O)COCc2ccc(Cl)cc2)cc1 ZINC000183672120 822508976 /nfs/dbraw/zinc/50/89/76/822508976.db2.gz DDSFQDGASXQDDN-ZHRRBRCNSA-N 1 0 399.922 4.062 20 0 GIADRO CCOc1ccccc1C[N@H+](CCCn1ccnc1)Cc1cccc2nccn21 ZINC000179594304 822509154 /nfs/dbraw/zinc/50/91/54/822509154.db2.gz OIOBHNVKTKWCBZ-UHFFFAOYSA-N 1 0 389.503 4.022 20 0 GIADRO CC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(-n3ccnc3C)cc2)c1 ZINC000183673092 822509213 /nfs/dbraw/zinc/50/92/13/822509213.db2.gz HAYVGXDYZPYXRW-CVEARBPZSA-N 1 0 390.487 4.061 20 0 GIADRO CN(Cc1ccccc1)c1ccccc1NC(=O)NCCCC[N@H+](C)C1CC1 ZINC000454630946 822509514 /nfs/dbraw/zinc/50/95/14/822509514.db2.gz XXWSFQYNXJKISE-UHFFFAOYSA-N 1 0 380.536 4.319 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)Cc2csc(-c3cccc(F)c3)n2)cc1 ZINC000046723417 822509943 /nfs/dbraw/zinc/50/99/43/822509943.db2.gz MPFZZMWEVUJARL-UHFFFAOYSA-N 1 0 399.491 4.071 20 0 GIADRO CCCC[C@H]([NH2+][C@H](C)c1ccc(-n2ccnc2C)cc1)C(=O)Nc1cc(C)on1 ZINC000183680824 822510516 /nfs/dbraw/zinc/51/05/16/822510516.db2.gz OVJRHPPBIAWFHL-UZLBHIALSA-N 1 0 395.507 4.325 20 0 GIADRO CCCC[C@H]([NH2+][C@@H](C)c1ccc(-n2ccnc2C)cc1)C(=O)Nc1cc(C)on1 ZINC000183680793 822510552 /nfs/dbraw/zinc/51/05/52/822510552.db2.gz OVJRHPPBIAWFHL-JXFKEZNVSA-N 1 0 395.507 4.325 20 0 GIADRO COc1cc(C)c([C@H](C)[NH2+][C@@H](CC(C)C)C(=O)Nc2nccs2)cc1OC ZINC000179601455 822510637 /nfs/dbraw/zinc/51/06/37/822510637.db2.gz FKMHVRULMFBSDK-HOCLYGCPSA-N 1 0 391.537 4.173 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N(C)[C@H](C)c1ccc(F)cc1)c1ccc(OC(F)F)cc1 ZINC000179602046 822510726 /nfs/dbraw/zinc/51/07/26/822510726.db2.gz OPSPDBRYWMTOEE-ZIAGYGMSSA-N 1 0 380.410 4.297 20 0 GIADRO C[C@H](Nc1ccccc1N1CC[NH+](CCc2ccncc2)CC1)c1ccccn1 ZINC000179604373 822511110 /nfs/dbraw/zinc/51/11/10/822511110.db2.gz MNYJSADQLXTOLY-FQEVSTJZSA-N 1 0 387.531 4.014 20 0 GIADRO CC1CC[NH+](CCCCNC(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)CC1 ZINC000046735873 822511377 /nfs/dbraw/zinc/51/13/77/822511377.db2.gz VBVJDLKKEPOWOO-IBGZPJMESA-N 1 0 398.551 4.229 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1nc(-c2ccco2)cs1)c1ccc(OC(F)F)cc1 ZINC000179609503 822512267 /nfs/dbraw/zinc/51/22/67/822512267.db2.gz WMEALXHHWKGEED-NSHDSACASA-N 1 0 393.415 4.294 20 0 GIADRO CCOc1ccc([C@@H](C)NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)cc1OC ZINC000046750893 822512827 /nfs/dbraw/zinc/51/28/27/822512827.db2.gz QLODCVQZYVWBQY-ZWKOTPCHSA-N 1 0 391.556 4.109 20 0 GIADRO Cc1ccc(-c2nc(C(=O)NCc3ccccc3C[N@@H+](C)C(C)C)cs2)o1 ZINC000046756547 822513762 /nfs/dbraw/zinc/51/37/62/822513762.db2.gz HDIPZMXXXAIOMG-UHFFFAOYSA-N 1 0 383.517 4.482 20 0 GIADRO COc1ccc(-c2nc(C[NH2+][C@@H](CCO)C3CCCCC3)cs2)c(OC)c1 ZINC000183701530 822513845 /nfs/dbraw/zinc/51/38/45/822513845.db2.gz GULFQMJRQAQQDL-IBGZPJMESA-N 1 0 390.549 4.248 20 0 GIADRO COc1ccc(-c2nc(C[NH2+][C@H](CCO)C3CCCCC3)cs2)c(OC)c1 ZINC000183701550 822513901 /nfs/dbraw/zinc/51/39/01/822513901.db2.gz GULFQMJRQAQQDL-LJQANCHMSA-N 1 0 390.549 4.248 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCC(C(=O)c3ccccc3)CC2)C1 ZINC000046758466 822514082 /nfs/dbraw/zinc/51/40/82/822514082.db2.gz UJYWUBBJKWQLMN-BGYRXZFFSA-N 1 0 399.579 4.049 20 0 GIADRO COc1cc(C)c([C@@H](C)[NH2+]Cc2cccc(C(=O)NCC(C)C)c2)cc1OC ZINC000179620323 822514208 /nfs/dbraw/zinc/51/42/08/822514208.db2.gz NFOBHLOKKPCCJY-QGZVFWFLSA-N 1 0 384.520 4.249 20 0 GIADRO Fc1ccc([C@@H]([NH2+][C@H]2CCN(c3c(F)cccc3F)C2)c2ccccc2)nc1 ZINC000183709027 822514911 /nfs/dbraw/zinc/51/49/11/822514911.db2.gz NFISRCSBLGJXHL-UWJYYQICSA-N 1 0 383.417 4.457 20 0 GIADRO CCOc1cc(C[N@H+](C)[C@H](C)c2ccncc2)cc(Br)c1OC ZINC000183709927 822515126 /nfs/dbraw/zinc/51/51/26/822515126.db2.gz OWWKXBFORKHALN-CYBMUJFWSA-N 1 0 379.298 4.444 20 0 GIADRO C[C@@H](c1ccncc1)[N@H+](C)Cc1cc(Br)c2c(c1)OCCCO2 ZINC000183712324 822515368 /nfs/dbraw/zinc/51/53/68/822515368.db2.gz FKZVGAZXNYPSBP-ZDUSSCGKSA-N 1 0 377.282 4.198 20 0 GIADRO COc1cc(C)c([C@H](C)[NH2+]CC(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1OC ZINC000179627729 822515383 /nfs/dbraw/zinc/51/53/83/822515383.db2.gz XUNLYZXVZIPYTB-GJZGRUSLSA-N 1 0 390.911 4.194 20 0 GIADRO C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000179629778 822515960 /nfs/dbraw/zinc/51/59/60/822515960.db2.gz URBSYYRKFOEAFJ-LSDHHAIUSA-N 1 0 384.351 4.052 20 0 GIADRO COc1ccccc1NC(=O)C[NH2+][C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000183717551 822516105 /nfs/dbraw/zinc/51/61/05/822516105.db2.gz ZWTMAIFYPRCKSC-AWEZNQCLSA-N 1 0 381.501 4.416 20 0 GIADRO COc1ccccc1NC(=O)C[NH2+][C@H](C)c1sc(-c2ccccc2)nc1C ZINC000183717534 822516237 /nfs/dbraw/zinc/51/62/37/822516237.db2.gz ZWTMAIFYPRCKSC-CQSZACIVSA-N 1 0 381.501 4.416 20 0 GIADRO Cc1oc(-c2cccs2)nc1C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000046791974 822517611 /nfs/dbraw/zinc/51/76/11/822517611.db2.gz HFBFGYZHMUXPQW-UHFFFAOYSA-N 1 0 387.549 4.440 20 0 GIADRO O=C(CCc1ccccc1)N1CC[C@H]([NH2+]CC2CCC(C(F)(F)F)CC2)C1 ZINC000183731517 822518179 /nfs/dbraw/zinc/51/81/79/822518179.db2.gz YHJZAOYTGBWPMN-ACBHZAAOSA-N 1 0 382.470 4.178 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(N2CCOC2=O)cc1)c1nc2ccc(Cl)cc2n1C ZINC000183735101 822518793 /nfs/dbraw/zinc/51/87/93/822518793.db2.gz KQBKIBKZTDMMHU-ZDUSSCGKSA-N 1 0 384.867 4.034 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1cc(-c2cccc(F)c2)no1 ZINC000046816349 822520706 /nfs/dbraw/zinc/52/07/06/822520706.db2.gz KPUYQBBIQGWRII-UHFFFAOYSA-N 1 0 381.451 4.251 20 0 GIADRO CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000183751950 822522243 /nfs/dbraw/zinc/52/22/43/822522243.db2.gz VMWBTPWDGDZEOM-GPANFISMSA-N 1 0 377.472 4.197 20 0 GIADRO CC(C)Oc1cccc([C@H](C)[NH2+]CC(=O)Nc2ccc(N3CCCC3)cc2)c1 ZINC000179663938 822522766 /nfs/dbraw/zinc/52/27/66/822522766.db2.gz GZRWUCJIVVNIBZ-SFHVURJKSA-N 1 0 381.520 4.363 20 0 GIADRO c1c(C[NH2+]C[C@@H]2Cc3ccccc3O2)c(-c2cccnc2)nn1Cc1ccccc1 ZINC000046837144 822522824 /nfs/dbraw/zinc/52/28/24/822522824.db2.gz FISTZJXKVZULOZ-QHCPKHFHSA-N 1 0 396.494 4.087 20 0 GIADRO CCN(Cc1nnc(-c2cccc(Cl)c2)o1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000183754551 822522862 /nfs/dbraw/zinc/52/28/62/822522862.db2.gz CRHSPHFQPRJVRV-HXUWFJFHSA-N 1 0 396.922 4.486 20 0 GIADRO CN1CC[C@H]([NH2+]Cc2cncc(Br)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000183756561 822523095 /nfs/dbraw/zinc/52/30/95/822523095.db2.gz UHNGSFYHMIPFHA-IRXDYDNUSA-N 1 0 380.717 4.033 20 0 GIADRO CC[NH+]1CCN(CCCNC(=O)c2cc(-c3ccccc3C)ccc2Cl)CC1 ZINC000454721547 822523356 /nfs/dbraw/zinc/52/33/56/822523356.db2.gz RSYOQRXMJSLWIR-UHFFFAOYSA-N 1 0 399.966 4.073 20 0 GIADRO Fc1cc(N2CC[C@H]([NH2+]Cc3cncc(Br)c3)C2)ccc1Cl ZINC000183758886 822523478 /nfs/dbraw/zinc/52/34/78/822523478.db2.gz AEUFLGUZBTVNGE-ZDUSSCGKSA-N 1 0 384.680 4.005 20 0 GIADRO CC(C)Oc1cccc([C@H](C)[NH2+]CC(=O)NCc2ccc(OC(F)F)cc2)c1 ZINC000179670790 822523855 /nfs/dbraw/zinc/52/38/55/822523855.db2.gz ZJNUOZMPHUYMQL-HNNXBMFYSA-N 1 0 392.446 4.042 20 0 GIADRO Cc1ccc(NCc2cc(Br)cs2)cc1NC(=O)CC[NH+](C)C ZINC000183779776 822527418 /nfs/dbraw/zinc/52/74/18/822527418.db2.gz WUVXKKMAZOYZQV-UHFFFAOYSA-N 1 0 396.354 4.321 20 0 GIADRO Cc1ccc(NCc2ccccc2OC(F)F)cc1NC(=O)CC[NH+](C)C ZINC000183781266 822527654 /nfs/dbraw/zinc/52/76/54/822527654.db2.gz GMIOYKFVCPFQAR-UHFFFAOYSA-N 1 0 377.435 4.099 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)C[C@H](O)c1ccc(Cl)cc1)c1ccsc1 ZINC000179687897 822527820 /nfs/dbraw/zinc/52/78/20/822527820.db2.gz BKMOAXOXNYOBNP-ROUUACIJSA-N 1 0 380.941 4.024 20 0 GIADRO CCc1oc(C(=O)OC)cc1C[NH2+][C@H](C)c1cccc(OCc2ccccn2)c1 ZINC000179692102 822528437 /nfs/dbraw/zinc/52/84/37/822528437.db2.gz BPOQMWVZVJDXPV-MRXNPFEDSA-N 1 0 394.471 4.453 20 0 GIADRO CC[C@@H]1CCC[C@@H](C[NH2+]C2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)C1 ZINC000183789277 822528478 /nfs/dbraw/zinc/52/84/78/822528478.db2.gz XULNELAZVGZYTQ-QZTJIDSGSA-N 1 0 388.552 4.114 20 0 GIADRO COc1ccccc1OCC[NH2+][C@H](C)c1cccc(OCc2ccccn2)c1 ZINC000179693255 822528712 /nfs/dbraw/zinc/52/87/12/822528712.db2.gz UTZCRQXQGKBSKM-GOSISDBHSA-N 1 0 378.472 4.399 20 0 GIADRO C[C@@H]([NH2+]C[C@H](O)c1c(F)cccc1F)c1cccc(OCc2ccccn2)c1 ZINC000179694757 822529070 /nfs/dbraw/zinc/52/90/70/822529070.db2.gz JJASTHIJDZIKOP-VFNWGFHPSA-N 1 0 384.426 4.323 20 0 GIADRO C[C@H](NC(=O)NC[C@H]1CCCCC1(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000454760668 822529358 /nfs/dbraw/zinc/52/93/58/822529358.db2.gz DBIUZNQEQGWHGU-QXAKKESOSA-N 1 0 379.495 4.022 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N(C1CC1)C1CCCC1)c1cccc(OCc2ccccn2)c1 ZINC000179697049 822529817 /nfs/dbraw/zinc/52/98/17/822529817.db2.gz ZXKULONDYAMJQS-GOSISDBHSA-N 1 0 393.531 4.245 20 0 GIADRO COc1cc([C@H](C)[NH2+]C[C@@H](O)c2ccc(F)cc2)ccc1OCc1ccncc1 ZINC000179702846 822530872 /nfs/dbraw/zinc/53/08/72/822530872.db2.gz URZFQPCAVMXKOH-HRAATJIYSA-N 1 0 396.462 4.193 20 0 GIADRO CC[NH+](CC)CCOc1ccc(NC(=O)N2CCC[C@@]3(CCSC3)C2)cc1 ZINC000454771584 822531021 /nfs/dbraw/zinc/53/10/21/822531021.db2.gz MWBMWQSREGJMOK-OAQYLSRUSA-N 1 0 391.581 4.158 20 0 GIADRO C[C@H](NC(=O)N1CC[C@H](C(F)(F)F)C[C@@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000454777950 822532181 /nfs/dbraw/zinc/53/21/81/822532181.db2.gz VEJCZFUGIBWNNP-CAMMJAKZSA-N 1 0 397.485 4.269 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cccc(C[S@](C)=O)c3)cc2)C1 ZINC000046934677 822532638 /nfs/dbraw/zinc/53/26/38/822532638.db2.gz CVECSELHJJPAOJ-CBZJRKILSA-N 1 0 384.545 4.049 20 0 GIADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccc(C(F)(F)F)nc1Cl ZINC000179722012 822535143 /nfs/dbraw/zinc/53/51/43/822535143.db2.gz KJILUXGUZHEKNP-GFCCVEGCSA-N 1 0 385.817 4.004 20 0 GIADRO COC(=O)COc1ccccc1[C@H](C)[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000183847608 822535443 /nfs/dbraw/zinc/53/54/43/822535443.db2.gz NIBTVVDVPSHOML-FIKMYACPSA-N 1 0 389.879 4.073 20 0 GIADRO COc1cc(C[NH+]2CCC(C)(O)CC2)ccc1OCc1ccc(Cl)cc1 ZINC000179726435 822536228 /nfs/dbraw/zinc/53/62/28/822536228.db2.gz ZXPHRUYBKQJZSL-UHFFFAOYSA-N 1 0 375.896 4.274 20 0 GIADRO Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000046991733 822536292 /nfs/dbraw/zinc/53/62/92/822536292.db2.gz YZBNAYMVCTYSRS-HNNXBMFYSA-N 1 0 393.597 4.283 20 0 GIADRO C[C@@H](NC(=O)C[NH2+][C@@H](CCCO)c1ccccc1)c1ccc(Cl)cc1Cl ZINC000179732939 822537748 /nfs/dbraw/zinc/53/77/48/822537748.db2.gz JVTAOKMCOMALTD-KUHUBIRLSA-N 1 0 395.330 4.274 20 0 GIADRO CN(C(=O)Nc1ccc(OCC2CC2)cc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000454806974 822537957 /nfs/dbraw/zinc/53/79/57/822537957.db2.gz ZVTQUSOHATUDRQ-UHFFFAOYSA-N 1 0 399.457 4.356 20 0 GIADRO CCOc1ccccc1[C@H](CC)[NH2+]Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000179737153 822538861 /nfs/dbraw/zinc/53/88/61/822538861.db2.gz CTBMTGZSQTUSCB-KRWDZBQOSA-N 1 0 383.460 4.323 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)Cc2ccc(Br)cc2)o1 ZINC000047037456 822538870 /nfs/dbraw/zinc/53/88/70/822538870.db2.gz QYYLVFIIOKREOE-CQSZACIVSA-N 1 0 393.325 4.245 20 0 GIADRO Cc1ccc(-c2cnc(CCC(=O)NCCCC[N@H+]3C[C@H](C)C[C@H](C)C3)o2)cc1 ZINC000047039189 822539064 /nfs/dbraw/zinc/53/90/64/822539064.db2.gz XVRMEWKJTIYYLZ-BGYRXZFFSA-N 1 0 397.563 4.457 20 0 GIADRO C[C@H](NC(=O)C[NH2+][C@@H](CCCO)c1ccccc1)c1ccc2ccccc2c1 ZINC000179738298 822539431 /nfs/dbraw/zinc/53/94/31/822539431.db2.gz BMIDYTYBPOORSH-MBSDFSHPSA-N 1 0 376.500 4.120 20 0 GIADRO Cc1c(Cl)cccc1NC(=O)C[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179738290 822539447 /nfs/dbraw/zinc/53/94/47/822539447.db2.gz ZUUBIZZTOCRKDA-OAQYLSRUSA-N 1 0 386.879 4.099 20 0 GIADRO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](Cc2cnc(-c3cccs3)s2)C1 ZINC000179740301 822540127 /nfs/dbraw/zinc/54/01/27/822540127.db2.gz PLVLOKUUMGPLQR-ZDUSSCGKSA-N 1 0 379.551 4.218 20 0 GIADRO CCCOc1ccc(C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)cc1OC ZINC000179745535 822541655 /nfs/dbraw/zinc/54/16/55/822541655.db2.gz OHGXMCLKILITNP-UHFFFAOYSA-N 1 0 382.504 4.335 20 0 GIADRO CCN(C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H](C)c1cccc(OC)c1 ZINC000179749980 822542431 /nfs/dbraw/zinc/54/24/31/822542431.db2.gz ZZBKSEJHYWDWIY-SFHVURJKSA-N 1 0 396.535 4.099 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)/C=C/c1ccnc(Cl)c1)c1cccc(C(F)(F)F)c1 ZINC000183897754 822542462 /nfs/dbraw/zinc/54/24/62/822542462.db2.gz JKHRTLMYJMSNPA-FYCOFBDGSA-N 1 0 397.828 4.186 20 0 GIADRO COc1ccc2cc(C[NH+]3CCC(C(=O)N4CCCCCC4)CC3)ccc2c1 ZINC000179752669 822543164 /nfs/dbraw/zinc/54/31/64/822543164.db2.gz IODDIFJJRIAXLS-UHFFFAOYSA-N 1 0 380.532 4.463 20 0 GIADRO CCc1noc(C2CCC([NH2+]CCCc3nc(-c4ccncc4)cs3)CC2)n1 ZINC000183901926 822543193 /nfs/dbraw/zinc/54/31/93/822543193.db2.gz IPPXUBVFTOAYBI-UHFFFAOYSA-N 1 0 397.548 4.399 20 0 GIADRO C[C@H](Nc1cccc(C[NH+]2CCCCC2)c1)c1ccc(NS(C)(=O)=O)cc1 ZINC000179754372 822543624 /nfs/dbraw/zinc/54/36/24/822543624.db2.gz YFWJACSRGNNUAJ-KRWDZBQOSA-N 1 0 387.549 4.217 20 0 GIADRO O=C(c1csc(-c2ccc(F)c(F)c2)n1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000183903773 822543654 /nfs/dbraw/zinc/54/36/54/822543654.db2.gz MTVCFFINCSFEMG-UHFFFAOYSA-N 1 0 391.487 4.179 20 0 GIADRO Cc1ccc(NC(=O)N2CC[C@@H](C(F)(F)F)C[C@@H]2C)c(OCC[NH+](C)C)c1 ZINC000454841834 822544347 /nfs/dbraw/zinc/54/43/47/822544347.db2.gz RDQYQMLYDKPJGA-LSDHHAIUSA-N 1 0 387.446 4.130 20 0 GIADRO C[C@@H]1CN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC[C@@H]1c1ccccc1 ZINC000179759231 822544862 /nfs/dbraw/zinc/54/48/62/822544862.db2.gz XIKDHLXMNJQBDM-XXBNENTESA-N 1 0 392.547 4.133 20 0 GIADRO C[N@@H+]1CC[C@H](CNC(=O)Nc2cc(Cl)ccc2SCC(F)(F)F)C1 ZINC000454854156 822546451 /nfs/dbraw/zinc/54/64/51/822546451.db2.gz LRDUJINEYRDZRX-SNVBAGLBSA-N 1 0 381.851 4.068 20 0 GIADRO C[N@H+](CCCO)C1CCN(C(=O)c2cc3sc4ccccc4c3s2)CC1 ZINC000179766252 822547651 /nfs/dbraw/zinc/54/76/51/822547651.db2.gz VPKCXMYPHFOWGE-UHFFFAOYSA-N 1 0 388.558 4.035 20 0 GIADRO O=C(NCC1CCCCCC1)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000454864368 822548341 /nfs/dbraw/zinc/54/83/41/822548341.db2.gz BMJXJTABYUDJSH-UHFFFAOYSA-N 1 0 375.479 4.061 20 0 GIADRO Cc1cccc(NC(=O)[C@H](C)[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)c1C ZINC000179768359 822548481 /nfs/dbraw/zinc/54/84/81/822548481.db2.gz WCOWABWDPAHHGB-AOMKIAJQSA-N 1 0 380.488 4.143 20 0 GIADRO Cc1cccc2c1[C@@H](C)C[C@H]2Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000179772458 822549580 /nfs/dbraw/zinc/54/95/80/822549580.db2.gz TYKIERZHMOZNMN-HTAPYJJXSA-N 1 0 377.532 4.353 20 0 GIADRO Cc1cccc2c1[C@H](C)C[C@@H]2Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000179772414 822549607 /nfs/dbraw/zinc/54/96/07/822549607.db2.gz TYKIERZHMOZNMN-VGSWGCGISA-N 1 0 377.532 4.353 20 0 GIADRO NC(=O)C1CC[NH+](Cc2cccc(N[C@@H]3CCCCc4ccccc43)c2)CC1 ZINC000179774626 822550211 /nfs/dbraw/zinc/55/02/11/822550211.db2.gz QTTIPDKGVUTNNG-HSZRJFAPSA-N 1 0 377.532 4.264 20 0 GIADRO O=C(NC1CC([NH+]2CCCCC2)C1)N[C@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000454882310 822550607 /nfs/dbraw/zinc/55/06/07/822550607.db2.gz KAHHWRXYDCPGMQ-YUKKFIBKSA-N 1 0 375.944 4.292 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(C(=O)N2CCCC2)cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000179776689 822550668 /nfs/dbraw/zinc/55/06/68/822550668.db2.gz FELMNILXNDAAEB-QGZVFWFLSA-N 1 0 391.515 4.122 20 0 GIADRO CC(C)c1nccn1Cc1cccc(NC(=O)NCC2(C[NH+](C)C)CCCC2)c1 ZINC000183940181 822550778 /nfs/dbraw/zinc/55/07/78/822550778.db2.gz YISJVQKVUAVMRJ-UHFFFAOYSA-N 1 0 397.567 4.298 20 0 GIADRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)C1 ZINC000047187896 822552488 /nfs/dbraw/zinc/55/24/88/822552488.db2.gz YBUQEQSWSUFNQI-KRWDZBQOSA-N 1 0 389.540 4.276 20 0 GIADRO COc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC1(c2ccccc2OC)CCC1 ZINC000183960674 822554187 /nfs/dbraw/zinc/55/41/87/822554187.db2.gz NSEUUKGOXDNVKN-QGZVFWFLSA-N 1 0 382.504 4.132 20 0 GIADRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2ccccc2NC(=O)c2ccccc2)C1 ZINC000047214979 822554928 /nfs/dbraw/zinc/55/49/28/822554928.db2.gz VYPBZWRGWYIULX-IBGZPJMESA-N 1 0 393.531 4.181 20 0 GIADRO C[C@H](F)CCNC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000454919233 822556727 /nfs/dbraw/zinc/55/67/27/822556727.db2.gz GFMMZADGNOYESE-YQCLPMHJSA-N 1 0 381.923 4.301 20 0 GIADRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@@H]1CCCC1(F)F ZINC000454920549 822557091 /nfs/dbraw/zinc/55/70/91/822557091.db2.gz KUPLTTWDODHRRY-ROUUACIJSA-N 1 0 379.495 4.022 20 0 GIADRO Cc1cc(Sc2ncccn2)ccc1NC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000183988811 822558912 /nfs/dbraw/zinc/55/89/12/822558912.db2.gz KAYXORVUZWVGTE-UHFFFAOYSA-N 1 0 399.564 4.180 20 0 GIADRO COc1ccc2[nH]cc(C3=CC[N@@H+]([C@@H](C(=O)N(C)C)c4ccccc4)CC3)c2c1 ZINC000047257372 822559007 /nfs/dbraw/zinc/55/90/07/822559007.db2.gz KWUQSZACZFVBDI-HSZRJFAPSA-N 1 0 389.499 4.095 20 0 GIADRO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+]CCC[C@@H]2CCCCO2)cc1 ZINC000183990157 822559138 /nfs/dbraw/zinc/55/91/38/822559138.db2.gz HWJZPNZJABJQDL-CEWLAPEOSA-N 1 0 379.566 4.019 20 0 GIADRO O=C(N[C@H](c1ccccc1)c1ccccn1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000047304980 822563828 /nfs/dbraw/zinc/56/38/28/822563828.db2.gz RUVHFBJWCFHMFJ-XMMPIXPASA-N 1 0 385.511 4.199 20 0 GIADRO Cn1nccc1CC[NH2+][C@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC000184017420 822564937 /nfs/dbraw/zinc/56/49/37/822564937.db2.gz GXTSUNYXXHIJKE-IBGZPJMESA-N 1 0 388.284 4.243 20 0 GIADRO C[C@@H](C[N@H+](C)[C@@H](C)C(=O)NC(c1ccccc1)c1ccccc1)c1nccs1 ZINC000184017691 822564957 /nfs/dbraw/zinc/56/49/57/822564957.db2.gz HUKJJZSAPVLCJB-ROUUACIJSA-N 1 0 393.556 4.473 20 0 GIADRO O=C(NC[C@@H]1CCCC1(F)F)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000454991249 822566990 /nfs/dbraw/zinc/56/69/90/822566990.db2.gz ZNQWURSHQYHVNX-MOPGFXCFSA-N 1 0 379.495 4.023 20 0 GIADRO Cc1cc(NC(=O)C2CC[NH+](Cc3ccc(-c4ccc(F)cc4)o3)CC2)no1 ZINC000179857693 822567365 /nfs/dbraw/zinc/56/73/65/822567365.db2.gz HSEIHCKCZOLLEO-UHFFFAOYSA-N 1 0 383.423 4.233 20 0 GIADRO Cc1sc(NC(=O)C[NH2+][C@@H](C)C2CCOCC2)nc1-c1ccc(Cl)cc1 ZINC000179858132 822567374 /nfs/dbraw/zinc/56/73/74/822567374.db2.gz MBEKMKZFYNMCBQ-LBPRGKRZSA-N 1 0 393.940 4.115 20 0 GIADRO Cc1cccnc1CCCNC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000454998503 822567955 /nfs/dbraw/zinc/56/79/55/822567955.db2.gz XBXXBSJGYMRUTG-UHFFFAOYSA-N 1 0 396.535 4.009 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)[C@@H]1COc2ccccc2O1)C1CCCCC1 ZINC000047339235 822568646 /nfs/dbraw/zinc/56/86/46/822568646.db2.gz PAYPIQXVMHLXAQ-QFIPXVFZSA-N 1 0 380.488 4.230 20 0 GIADRO CCc1nc2ccccc2n1C1CC[NH+](Cn2nccc2-c2ccncc2)CC1 ZINC000179874481 822569625 /nfs/dbraw/zinc/56/96/25/822569625.db2.gz SHUZLGSFUUAYKX-UHFFFAOYSA-N 1 0 386.503 4.152 20 0 GIADRO Cc1cc(N(C)C)cc(C)c1NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000455011015 822570189 /nfs/dbraw/zinc/57/01/89/822570189.db2.gz OBCYGGNEXRWXPB-GOSISDBHSA-N 1 0 394.563 4.355 20 0 GIADRO Cc1ccnc(Oc2cc(NC(=O)N3C[C@H]4CCC[N@H+]4C[C@@H]3C)ccc2C)c1 ZINC000179881767 822571039 /nfs/dbraw/zinc/57/10/39/822571039.db2.gz BSWPSWOUIAVOCK-PKOBYXMFSA-N 1 0 380.492 4.191 20 0 GIADRO COCOc1ccc(OC)cc1C[NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000179898887 822573398 /nfs/dbraw/zinc/57/33/98/822573398.db2.gz XIGFRLCNBCDTDO-ZDUSSCGKSA-N 1 0 385.382 4.427 20 0 GIADRO COCOc1ccc(OC)cc1C[NH2+][C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000179898900 822573415 /nfs/dbraw/zinc/57/34/15/822573415.db2.gz XIGFRLCNBCDTDO-CYBMUJFWSA-N 1 0 385.382 4.427 20 0 GIADRO C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000184070789 822574069 /nfs/dbraw/zinc/57/40/69/822574069.db2.gz ZINCATWNYYSPHD-HNNXBMFYSA-N 1 0 376.884 4.185 20 0 GIADRO Cc1c2ccccc2oc1[C@H](C)NC(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000047392957 822574090 /nfs/dbraw/zinc/57/40/90/822574090.db2.gz SFPBUWGDIKVMTC-KRWDZBQOSA-N 1 0 392.503 4.376 20 0 GIADRO CC1CC[NH+](Cc2ccccc2CNC(=O)c2ncccc2C(F)(F)F)CC1 ZINC000179908119 822574967 /nfs/dbraw/zinc/57/49/67/822574967.db2.gz LRSJZJBZYQIQAR-UHFFFAOYSA-N 1 0 391.437 4.262 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3cccnc3C(F)(F)F)cc2)C1 ZINC000179911291 822575440 /nfs/dbraw/zinc/57/54/40/822575440.db2.gz NCFBZYCWPBDTGK-HNNXBMFYSA-N 1 0 391.437 4.262 20 0 GIADRO CC(=O)Nc1ccc([C@@H](C)[NH2+]CCCc2nc(-c3ccc(F)cc3)no2)cc1 ZINC000184090849 822576523 /nfs/dbraw/zinc/57/65/23/822576523.db2.gz LYXUJECUVMHKSU-CQSZACIVSA-N 1 0 382.439 4.118 20 0 GIADRO Cc1nc([C@@H](C)[N@@H+]2CCOCC3(CCOCC3)C2)oc1-c1ccc(Cl)cc1 ZINC000184096872 822577355 /nfs/dbraw/zinc/57/73/55/822577355.db2.gz LDXOHWVLDDKPFY-MRXNPFEDSA-N 1 0 390.911 4.493 20 0 GIADRO Cc1csc([C@H](C)C[NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)n1 ZINC000184113031 822580088 /nfs/dbraw/zinc/58/00/88/822580088.db2.gz IKDMBPOWQXQSLV-SNVBAGLBSA-N 1 0 382.320 4.232 20 0 GIADRO CC[C@@H]1Cc2ccccc2CN1C(=O)Nc1ccccc1N1CC[NH+](CC)CC1 ZINC000184120803 822581738 /nfs/dbraw/zinc/58/17/38/822581738.db2.gz ZNQZSXFVWGDRTD-OAQYLSRUSA-N 1 0 392.547 4.197 20 0 GIADRO CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)[C@H](C)c2nc3ccccc3s2)cc1 ZINC000179947214 822583035 /nfs/dbraw/zinc/58/30/35/822583035.db2.gz SVWDIRZJYFLHJN-LSDHHAIUSA-N 1 0 388.558 4.372 20 0 GIADRO CCCC(=O)Nc1ccc(Cl)c(NC(=O)N2CC[N@H+](CC)C[C@H]2CC)c1 ZINC000455065710 822583506 /nfs/dbraw/zinc/58/35/06/822583506.db2.gz ZQOCSASXUFAYIT-OAHLLOKOSA-N 1 0 380.920 4.027 20 0 GIADRO C[C@H](Nc1ccc(N2CCO[C@@H](C)C2)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000179951161 822584416 /nfs/dbraw/zinc/58/44/16/822584416.db2.gz GPBPADURUXUOLU-OALUTQOASA-N 1 0 383.536 4.025 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)NCc2c(F)cc(F)cc2F)[C@H]1c1cccs1 ZINC000455075436 822585634 /nfs/dbraw/zinc/58/56/34/822585634.db2.gz FEQIIHYGOIXNHC-XIKOKIGWSA-N 1 0 397.466 4.048 20 0 GIADRO CC(C)(C)OC(=O)N1CCC([C@@H]([NH2+]C2CCOCC2)c2ccc(F)cc2)CC1 ZINC000184148042 822585749 /nfs/dbraw/zinc/58/57/49/822585749.db2.gz ZCBMOBZTMMNTKS-FQEVSTJZSA-N 1 0 392.515 4.283 20 0 GIADRO O=C(NCCCCC[NH+]1CCCC1)Nc1ccc2nc(-c3ccccn3)oc2c1 ZINC000455083599 822587154 /nfs/dbraw/zinc/58/71/54/822587154.db2.gz RBSXWRRPKCWFNJ-UHFFFAOYSA-N 1 0 393.491 4.277 20 0 GIADRO COc1cccc([C@@H](C[NH2+][C@H](C)c2nc3ccc(Cl)cc3n2C)N(C)C)c1 ZINC000179968572 822587499 /nfs/dbraw/zinc/58/74/99/822587499.db2.gz IUKQYHKTPSTRDZ-JLTOFOAXSA-N 1 0 386.927 4.189 20 0 GIADRO CCc1ccc([C@@H](CNC(=O)c2ccc(-n3cc[nH]c3=S)cc2)[NH+](C)C)cc1 ZINC000047536334 822588331 /nfs/dbraw/zinc/58/83/31/822588331.db2.gz YEMYWORBXMEHDN-HXUWFJFHSA-N 1 0 394.544 4.130 20 0 GIADRO O=S(=O)(c1ccc(C[NH2+][C@H](c2ccccc2)C2CC2)cc1)N1CCCCC1 ZINC000179978261 822589517 /nfs/dbraw/zinc/58/95/17/822589517.db2.gz JFHCJYQAASINFQ-JOCHJYFZSA-N 1 0 384.545 4.102 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1cc(F)c(N2CCCC2)c(F)c1 ZINC000179982776 822590259 /nfs/dbraw/zinc/59/02/59/822590259.db2.gz YEFPWGMOARWXAS-KKSFZXQISA-N 1 0 386.490 4.283 20 0 GIADRO C[C@H](NC(=O)NCCCCC[NH+]1CCCC1)c1ccc(-c2cccnc2)cc1 ZINC000455111554 822590460 /nfs/dbraw/zinc/59/04/60/822590460.db2.gz HIOLPNJHUOWHOC-IBGZPJMESA-N 1 0 380.536 4.375 20 0 GIADRO Cc1ccc(C)c(NC(=S)NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000047567394 822591432 /nfs/dbraw/zinc/59/14/32/822591432.db2.gz WRXHBIXWPZVOGN-KDURUIRLSA-N 1 0 397.588 4.399 20 0 GIADRO C[C@H](NC(=O)NCCCCC[NH+]1CCCC1)c1ccc(-c2ccncc2)cc1 ZINC000455123072 822592362 /nfs/dbraw/zinc/59/23/62/822592362.db2.gz YBUAYGLIARBTIW-IBGZPJMESA-N 1 0 380.536 4.375 20 0 GIADRO CCOc1cc(F)ccc1NC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000047583539 822593479 /nfs/dbraw/zinc/59/34/79/822593479.db2.gz RNORIXAHTYTRLO-UHFFFAOYSA-N 1 0 377.504 4.344 20 0 GIADRO CN(C)S(=O)(=O)c1ccccc1C[NH2+][C@H](c1ccc(F)cc1)C1CCCC1 ZINC000180003740 822593786 /nfs/dbraw/zinc/59/37/86/822593786.db2.gz JDBGDKYQQPINJN-NRFANRHFSA-N 1 0 390.524 4.097 20 0 GIADRO COc1cc(OC)cc([C@@H]([NH2+][C@H](C)Cc2ccc(Cl)cc2)c2nccn2C)c1 ZINC000180003331 822593813 /nfs/dbraw/zinc/59/38/13/822593813.db2.gz YQPWDLLZBYHQQJ-QVKFZJNVSA-N 1 0 399.922 4.401 20 0 GIADRO Brc1cccc2c1CC[C@H]2[NH2+]Cc1cccc(Cn2ccnc2)c1 ZINC000180009079 822595351 /nfs/dbraw/zinc/59/53/51/822595351.db2.gz BJMCJOVHAQJSDK-HXUWFJFHSA-N 1 0 382.305 4.471 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+][C@H](C)C(=O)NCc2ccccc2Cl)cc1OC ZINC000047609070 822596565 /nfs/dbraw/zinc/59/65/65/822596565.db2.gz PLIADGKLSXUWER-LSDHHAIUSA-N 1 0 390.911 4.103 20 0 GIADRO CCOc1ccc(C(C)=O)cc1C[NH2+][C@H](C)c1ccc2c(c1)O[C@H](CC)C(=O)N2 ZINC000180015117 822596846 /nfs/dbraw/zinc/59/68/46/822596846.db2.gz POFHTFVYFDESJL-JLTOFOAXSA-N 1 0 396.487 4.248 20 0 GIADRO Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)CC1(C[NH3+])CCCCC1 ZINC000184219760 822598116 /nfs/dbraw/zinc/59/81/16/822598116.db2.gz LASFRILTNNDIIT-QGZVFWFLSA-N 1 0 394.991 4.464 20 0 GIADRO CS(=O)(=O)c1cccc([C@@H]([NH2+]CCc2cccc(F)c2)c2ccccc2)c1 ZINC000180020114 822598187 /nfs/dbraw/zinc/59/81/87/822598187.db2.gz MUSGAYCWRXWFOK-QFIPXVFZSA-N 1 0 383.488 4.151 20 0 GIADRO CC[NH+](CC)Cc1ccc(CN[C@H](c2cnn(C)c2)c2cccc(F)c2)cc1 ZINC000180022426 822598538 /nfs/dbraw/zinc/59/85/38/822598538.db2.gz SEYRWLPVMRIGTA-QHCPKHFHSA-N 1 0 380.511 4.280 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)N3CC[C@H](C(F)(F)F)C[C@H]3C)c2)CC1 ZINC000455157813 822598869 /nfs/dbraw/zinc/59/88/69/822598869.db2.gz MXBCNSJHVZGPCT-CVEARBPZSA-N 1 0 398.473 4.023 20 0 GIADRO Cn1cc(C[N@H+](Cc2cccc(Br)c2)C2CC2)c(-c2ccncc2)n1 ZINC000180032206 822601259 /nfs/dbraw/zinc/60/12/59/822601259.db2.gz IDIWINLTQBRMLA-UHFFFAOYSA-N 1 0 397.320 4.409 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)c1cccc(OCc2ccccn2)c1 ZINC000180033039 822601449 /nfs/dbraw/zinc/60/14/49/822601449.db2.gz RMQGXAUYVLVMJS-MJGOQNOKSA-N 1 0 397.519 4.321 20 0 GIADRO CC[NH+]1CCC(NC(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2)CC1 ZINC000047704803 822601422 /nfs/dbraw/zinc/60/14/22/822601422.db2.gz LXFNVRKTMWZWMR-OAQYLSRUSA-N 1 0 390.531 4.083 20 0 GIADRO COc1ccc(NC(=O)C[NH2+][C@H](c2ccc(Cl)cc2)[C@H]2C[C@H]2C)c(OC)c1 ZINC000180035488 822601770 /nfs/dbraw/zinc/60/17/70/822601770.db2.gz PQYTVYLYSBTZMU-GQNMWPQZSA-N 1 0 388.895 4.283 20 0 GIADRO C[NH+](C)CCN(Cc1ccccc1)C(=O)Nc1ccc(OC(F)F)c(F)c1 ZINC000047714079 822602592 /nfs/dbraw/zinc/60/25/92/822602592.db2.gz VKBQREGIRWSIFL-UHFFFAOYSA-N 1 0 381.398 4.023 20 0 GIADRO CCCC(=O)Nc1cccc(NC(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000047716397 822603551 /nfs/dbraw/zinc/60/35/51/822603551.db2.gz VQTHHRSNPSAFDW-ROUUACIJSA-N 1 0 388.556 4.305 20 0 GIADRO O=C(CCCOc1ccccc1)Nc1ccc(C[NH2+]Cc2cccnc2)cc1 ZINC000047717968 822603743 /nfs/dbraw/zinc/60/37/43/822603743.db2.gz OBIWCEIOTMXRNV-UHFFFAOYSA-N 1 0 375.472 4.169 20 0 GIADRO COc1ccc([C@H](O)C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180048117 822603921 /nfs/dbraw/zinc/60/39/21/822603921.db2.gz SHCNGUAVXKKUCH-FGZHOGPDSA-N 1 0 378.428 4.016 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)c3cc(F)c(F)cc3Cl)c2)CC1 ZINC000184255135 822603998 /nfs/dbraw/zinc/60/39/98/822603998.db2.gz UPEOTVCJXWFKIZ-UHFFFAOYSA-N 1 0 379.838 4.012 20 0 GIADRO COc1cc2c(cc1C[NH2+][C@H](C)c1ccc(NC(=O)NC(C)C)cc1)O[C@@H](C)C2 ZINC000047723804 822604136 /nfs/dbraw/zinc/60/41/36/822604136.db2.gz FVSMKXBGGBHINX-JKSUJKDBSA-N 1 0 397.519 4.399 20 0 GIADRO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H](C)C[S@](C)=O)cc1C ZINC000184256311 822604172 /nfs/dbraw/zinc/60/41/72/822604172.db2.gz RAKWKOHEXCIUOO-CLYVBNDRSA-N 1 0 381.545 4.013 20 0 GIADRO CCOc1ccc(C2(C[NH2+][C@@H](C)c3nc4ccccc4n3C)CCOCC2)cc1 ZINC000180048310 822604235 /nfs/dbraw/zinc/60/42/35/822604235.db2.gz HDSQJHHZBMDACE-SFHVURJKSA-N 1 0 393.531 4.371 20 0 GIADRO COc1ccc([C@@H]([NH2+]CC2(c3ccc(OC)cc3)CCOCC2)C2CC2)cc1 ZINC000180048669 822604242 /nfs/dbraw/zinc/60/42/42/822604242.db2.gz YBPDBFUWECCFLZ-QHCPKHFHSA-N 1 0 381.516 4.493 20 0 GIADRO CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]Cc2cnn(Cc3ccccc3)c2)cc1 ZINC000047723739 822604239 /nfs/dbraw/zinc/60/42/39/822604239.db2.gz RWVFPYCCYULPQP-SFHVURJKSA-N 1 0 391.519 4.312 20 0 GIADRO C[C@H](C[S@@](C)=O)[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccc(Cl)c1 ZINC000184257663 822604523 /nfs/dbraw/zinc/60/45/23/822604523.db2.gz XWCUSLSOGBUAIK-PVPMGCCUSA-N 1 0 387.936 4.049 20 0 GIADRO COc1ccc([C@@H]([NH2+]Cc2cccc(C(=O)NC[C@@H]3CCCO3)c2)C(C)C)cc1 ZINC000180051344 822604826 /nfs/dbraw/zinc/60/48/26/822604826.db2.gz FGQDNYTXFUSGGV-GOTSBHOMSA-N 1 0 396.531 4.091 20 0 GIADRO COc1ccc([C@@H]([NH2+]Cc2cccc(C(=O)NC[C@H]3CCCO3)c2)C(C)C)cc1 ZINC000180051370 822604855 /nfs/dbraw/zinc/60/48/55/822604855.db2.gz FGQDNYTXFUSGGV-PKTZIBPZSA-N 1 0 396.531 4.091 20 0 GIADRO Cc1ccc(Cn2cc(C[NH2+][C@H](C)C[S@@](C)=O)c(-c3ccc(C)cc3)n2)cc1 ZINC000184268269 822606153 /nfs/dbraw/zinc/60/61/53/822606153.db2.gz CYTZTBWOMYBEBZ-WHLCRQNOSA-N 1 0 395.572 4.072 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)Nc1ccnn1Cc1cccc2ccccc21 ZINC000455201753 822607265 /nfs/dbraw/zinc/60/72/65/822607265.db2.gz CJIVPIRBRMMOIB-UHFFFAOYSA-N 1 0 393.535 4.327 20 0 GIADRO C[C@H](C[C@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+]Cc1nccn1C(F)F ZINC000180065853 822607657 /nfs/dbraw/zinc/60/76/57/822607657.db2.gz BGLUUCOXMBTDKP-HUUCEWRRSA-N 1 0 386.487 4.326 20 0 GIADRO C[C@@H](C[C@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+]Cc1nccn1C(F)F ZINC000180065836 822607723 /nfs/dbraw/zinc/60/77/23/822607723.db2.gz BGLUUCOXMBTDKP-LSDHHAIUSA-N 1 0 386.487 4.326 20 0 GIADRO COc1cc(C[NH2+]Cc2ccc(OC(C)C)nc2)ccc1OCc1ccncc1 ZINC000047772399 822608273 /nfs/dbraw/zinc/60/82/73/822608273.db2.gz JPFZFGOHBCVSSH-UHFFFAOYSA-N 1 0 393.487 4.141 20 0 GIADRO COc1cccc([C@H]2[C@@H](NC(=O)Nc3nc(C4CC4)cs3)CC[N@@H+]2C2CC2)c1 ZINC000180067707 822608300 /nfs/dbraw/zinc/60/83/00/822608300.db2.gz YDJVISACHYNBDU-HKUYNNGSSA-N 1 0 398.532 4.129 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)N[C@@H]1CCSc2ccccc21 ZINC000047777534 822608445 /nfs/dbraw/zinc/60/84/45/822608445.db2.gz VNQXJRAIVPUTMO-MSOLQXFVSA-N 1 0 385.533 4.343 20 0 GIADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)Nc3cc(Cl)ccc3OC3CCCC3)C2)C1 ZINC000455207654 822608787 /nfs/dbraw/zinc/60/87/87/822608787.db2.gz QWUJEOLAAXJLMG-HXUWFJFHSA-N 1 0 377.916 4.221 20 0 GIADRO C[C@@H](NCc1ccccc1OCC[NH+](C)C)c1nc2ccc(Cl)cc2n1C ZINC000180072500 822609690 /nfs/dbraw/zinc/60/96/90/822609690.db2.gz VVGLHUVASXNKRM-OAHLLOKOSA-N 1 0 386.927 4.018 20 0 GIADRO C[C@@H](C[NH2+]Cc1cc(Br)ccc1OC(F)F)c1nccs1 ZINC000184292821 822609788 /nfs/dbraw/zinc/60/97/88/822609788.db2.gz GWCYPJCGABLRSJ-VIFPVBQESA-N 1 0 377.254 4.400 20 0 GIADRO O=C(CC[NH+]1CCC(C(=O)c2cc(F)ccc2F)CC1)Nc1cccc(F)c1 ZINC000047798628 822609898 /nfs/dbraw/zinc/60/98/98/822609898.db2.gz DZAUTDYJGPTKQE-UHFFFAOYSA-N 1 0 390.405 4.027 20 0 GIADRO O=C(CC[NH+]1CCC(C(=O)c2cc(F)ccc2F)CC1)Nc1ccc(F)cc1 ZINC000047798644 822609926 /nfs/dbraw/zinc/60/99/26/822609926.db2.gz OJKQYBDJQQKFMJ-UHFFFAOYSA-N 1 0 390.405 4.027 20 0 GIADRO COc1ccccc1N1CC[C@H](C[NH2+][C@@H](C)c2nc3ccc(Cl)cc3n2C)C1 ZINC000180077617 822610756 /nfs/dbraw/zinc/61/07/56/822610756.db2.gz SQWBXVXNFSYIFU-JKSUJKDBSA-N 1 0 398.938 4.412 20 0 GIADRO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1ccccc1CN1CCCC1=O)CC3 ZINC000180083671 822611884 /nfs/dbraw/zinc/61/18/84/822611884.db2.gz QMOWQHGZSIJWMD-HXUWFJFHSA-N 1 0 387.527 4.246 20 0 GIADRO Cc1ccc(C[NH2+]Cc2cc(Br)ccc2OCc2ccccn2)cn1 ZINC000047825903 822612834 /nfs/dbraw/zinc/61/28/34/822612834.db2.gz IGZFHKGNXGJHMI-UHFFFAOYSA-N 1 0 398.304 4.416 20 0 GIADRO CC(C)Sc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000180090435 822613504 /nfs/dbraw/zinc/61/35/04/822613504.db2.gz VFJPKDHAXCNUFC-CABCVRRESA-N 1 0 378.563 4.246 20 0 GIADRO CCOc1cc(Br)c(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OCC ZINC000180091045 822613528 /nfs/dbraw/zinc/61/35/28/822613528.db2.gz WBTBNHQBHMVUID-UONOGXRCSA-N 1 0 383.330 4.285 20 0 GIADRO COc1ccc2oc([C@@H](C)[NH2+]C[C@@H](O)COc3cccc(C(C)=O)c3)c(C)c2c1 ZINC000184319954 822614251 /nfs/dbraw/zinc/61/42/51/822614251.db2.gz RUADWZCPZKSPMS-CRAIPNDOSA-N 1 0 397.471 4.043 20 0 GIADRO Cc1ccc([C@H]([NH2+]Cc2ccccc2CS(=O)(=O)NC(C)C)C2CC2)cc1 ZINC000180095136 822614331 /nfs/dbraw/zinc/61/43/31/822614331.db2.gz APUVQIOPIDEKDY-QFIPXVFZSA-N 1 0 386.561 4.064 20 0 GIADRO C[C@@H]1CN(C(=O)Nc2ncc(C(F)(F)F)s2)CC[N@H+](Cc2ccccc2)C1 ZINC000455234624 822614366 /nfs/dbraw/zinc/61/43/66/822614366.db2.gz AYZXAZQPFXOPGM-ZDUSSCGKSA-N 1 0 398.454 4.148 20 0 GIADRO C[N@@H+]1CC[C@H](NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)[C@@H]1c1ccccc1 ZINC000180099532 822615073 /nfs/dbraw/zinc/61/50/73/822615073.db2.gz JSYCPQPJASVEIC-GOTSBHOMSA-N 1 0 399.494 4.114 20 0 GIADRO Cc1ccccc1Oc1ccccc1C[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000180101573 822615521 /nfs/dbraw/zinc/61/55/21/822615521.db2.gz LGZCFBXWZJHMDM-KRWDZBQOSA-N 1 0 396.512 4.286 20 0 GIADRO CC(C)[NH+]1CCC(NC(=O)N[C@@H](C)C(c2ccccc2)c2ccccc2)CC1 ZINC000047884563 822616212 /nfs/dbraw/zinc/61/62/12/822616212.db2.gz HFSBYOGZXXRHAF-IBGZPJMESA-N 1 0 379.548 4.379 20 0 GIADRO CSc1nnc(CCC[NH2+][C@H](C)Cc2ccc(Cl)cc2)n1CC(C)C ZINC000180111203 822617510 /nfs/dbraw/zinc/61/75/10/822617510.db2.gz AZHZKADBDWLIPP-OAHLLOKOSA-N 1 0 380.989 4.463 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)cc1 ZINC000047905320 822618250 /nfs/dbraw/zinc/61/82/50/822618250.db2.gz QZLBJDDQERNZKO-UHFFFAOYSA-N 1 0 379.504 4.017 20 0 GIADRO CC(C)Oc1cccc([C@H](O)C[NH2+][C@@H](C)c2nc3ccc(Cl)cc3n2C)c1 ZINC000180120259 822619295 /nfs/dbraw/zinc/61/92/95/822619295.db2.gz GPPRPFIZRKAAHS-VBKZILBWSA-N 1 0 387.911 4.398 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]CCCS(=O)(=O)C(C)C ZINC000184348224 822620033 /nfs/dbraw/zinc/62/00/33/822620033.db2.gz NFXHCFQHTDBFJD-ZDUSSCGKSA-N 1 0 384.542 4.122 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]CC(=O)N1CCC[C@@H](C)C1 ZINC000184349720 822620232 /nfs/dbraw/zinc/62/02/32/822620232.db2.gz VOUVHKXOHMYNKI-KGLIPLIRSA-N 1 0 375.513 4.167 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNc1ccc2nnc(-c3ccsc3)n2n1 ZINC000184350656 822620449 /nfs/dbraw/zinc/62/04/49/822620449.db2.gz LJLUEGOJJDOTIY-UHFFFAOYSA-N 1 0 392.532 4.307 20 0 GIADRO COc1cccc([C@H](CNC(=O)N[C@@H](C)c2cc(C)sc2C)[NH+](C)C)c1 ZINC000047936808 822621139 /nfs/dbraw/zinc/62/11/39/822621139.db2.gz UYMAQFLJRIGYJM-LIRRHRJNSA-N 1 0 375.538 4.037 20 0 GIADRO CC(C)c1c(NC(=O)NCCCCC[NH+]2CCCC2)cnn1-c1ccccc1 ZINC000455265088 822621189 /nfs/dbraw/zinc/62/11/89/822621189.db2.gz DWPPUHRHNDEIQN-UHFFFAOYSA-N 1 0 383.540 4.383 20 0 GIADRO COc1ccc(CNC(=O)[C@H](C)[NH2+][C@H](C)c2cc3ccccc3s2)cc1OC ZINC000184357425 822621374 /nfs/dbraw/zinc/62/13/74/822621374.db2.gz SBBZZHUBZNZYTB-CABCVRRESA-N 1 0 398.528 4.274 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2nc(-c3ccccc3Cl)ns2)[C@H](C)C1 ZINC000184360334 822622017 /nfs/dbraw/zinc/62/20/17/822622017.db2.gz RHDIDBLXYZYIHF-IUODEOHRSA-N 1 0 393.944 4.053 20 0 GIADRO CSc1ccc([C@@H](C)NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000047968621 822622991 /nfs/dbraw/zinc/62/29/91/822622991.db2.gz BMVQMNYEUODELU-QGZVFWFLSA-N 1 0 383.561 4.433 20 0 GIADRO Cc1c(NC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cccc1N(C)C ZINC000180134476 822623215 /nfs/dbraw/zinc/62/32/15/822623215.db2.gz BSOFRSMFCOTIFE-KRWDZBQOSA-N 1 0 386.565 4.156 20 0 GIADRO C=Cc1ccc(C(=O)N(C)C2CC[NH+](Cc3ncc(C)c(OC)c3C)CC2)cc1 ZINC000184374799 822624357 /nfs/dbraw/zinc/62/43/57/822624357.db2.gz KJBGOXUKWPYNHS-UHFFFAOYSA-N 1 0 393.531 4.087 20 0 GIADRO Cc1cc(NC(=O)NC2CC[NH+](C3CCC3)CC2)cc(C)c1Br ZINC000455275319 822624484 /nfs/dbraw/zinc/62/44/84/822624484.db2.gz XMOVKMIGUUGMLK-UHFFFAOYSA-N 1 0 380.330 4.204 20 0 GIADRO CCOc1ccccc1[C@H](CC(C)C)[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000180139955 822624624 /nfs/dbraw/zinc/62/46/24/822624624.db2.gz FLKNYHXNKQHTBR-JXFKEZNVSA-N 1 0 390.549 4.171 20 0 GIADRO CCCC(=O)Nc1cccc(C[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)c1 ZINC000180141242 822624971 /nfs/dbraw/zinc/62/49/71/822624971.db2.gz GNMTXNADMNYLDH-UHFFFAOYSA-N 1 0 389.540 4.351 20 0 GIADRO C[C@H]([NH2+]CC(=O)NC[C@H]1CCN(c2ccccc2)C1)c1cc2ccccc2s1 ZINC000184382375 822625572 /nfs/dbraw/zinc/62/55/72/822625572.db2.gz ZQCQULNMEFTOAT-ZWKOTPCHSA-N 1 0 393.556 4.195 20 0 GIADRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)N[C@@H]1CCCc2sccc21 ZINC000184388071 822626590 /nfs/dbraw/zinc/62/65/90/822626590.db2.gz CZUXDRWGBOLZQE-HXUWFJFHSA-N 1 0 383.561 4.132 20 0 GIADRO COC(=O)CCn1nc(C)c(C[N@@H+]2CCC[C@@H]2c2ccc(Cl)cc2)c1C ZINC000180148506 822626930 /nfs/dbraw/zinc/62/69/30/822626930.db2.gz BEVVDCOUTQBDQV-LJQANCHMSA-N 1 0 375.900 4.054 20 0 GIADRO C[NH+](C)CC1CCC(NC(=O)Nc2ccc(Cl)cc2OC(F)F)CC1 ZINC000184391637 822627248 /nfs/dbraw/zinc/62/72/48/822627248.db2.gz YDMSDSZHZAZMKP-UHFFFAOYSA-N 1 0 375.847 4.183 20 0 GIADRO COc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)cc1Cl ZINC000048052848 822627362 /nfs/dbraw/zinc/62/73/62/822627362.db2.gz SUPUIFUERLMMEI-UHFFFAOYSA-N 1 0 379.863 4.083 20 0 GIADRO Cc1c(NC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)cccc1N(C)C ZINC000180151322 822627663 /nfs/dbraw/zinc/62/76/63/822627663.db2.gz KVTAWCPWJKKREN-UHFFFAOYSA-N 1 0 395.551 4.226 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)Nc2cc(C3CC3)nn2-c2ccccc2)CC1 ZINC000048059804 822628084 /nfs/dbraw/zinc/62/80/84/822628084.db2.gz CXXYQEGPTWWHOY-UHFFFAOYSA-N 1 0 395.551 4.334 20 0 GIADRO O=C(CCC[NH2+]C1CCN(CCC(F)(F)F)CC1)Nc1ccc(Cl)cc1 ZINC000180160276 822629563 /nfs/dbraw/zinc/62/95/63/822629563.db2.gz YDLBRWPVXDAHFH-UHFFFAOYSA-N 1 0 391.865 4.065 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1ccc2oc(C3CC3)nc2c1)c1ccc(F)cc1 ZINC000048076791 822629852 /nfs/dbraw/zinc/62/98/52/822629852.db2.gz DAJQHMWRVMOMTN-GOSISDBHSA-N 1 0 382.439 4.269 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)Nc1ccc(OC(F)F)c(F)c1 ZINC000048085456 822630576 /nfs/dbraw/zinc/63/05/76/822630576.db2.gz WYLNLAQBLHPSEY-UHFFFAOYSA-N 1 0 399.388 4.162 20 0 GIADRO CCc1ccc([C@@H](CNC(=O)c2sccc2Br)[NH+](C)C)cc1 ZINC000048087531 822630681 /nfs/dbraw/zinc/63/06/81/822630681.db2.gz TVOCMBUOAHGNTQ-OAHLLOKOSA-N 1 0 381.339 4.106 20 0 GIADRO Cn1cc([C@@H]([NH2+]C2CCN(Cc3ccc(F)cc3)CC2)c2cccc(F)c2)cn1 ZINC000180165932 822630792 /nfs/dbraw/zinc/63/07/92/822630792.db2.gz IRBMAJNNZWAJIB-QHCPKHFHSA-N 1 0 396.485 4.042 20 0 GIADRO Cc1csc(-c2cccc(C(=O)N[C@H]3CC[N@@H+](C)[C@@H]3c3ccccc3)c2)n1 ZINC000180166347 822630815 /nfs/dbraw/zinc/63/08/15/822630815.db2.gz CMXLPBPGKWXWJA-VQTJNVASSA-N 1 0 377.513 4.294 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(N(C)C)c1C ZINC000180166863 822631058 /nfs/dbraw/zinc/63/10/58/822631058.db2.gz HHRREABDBNIHLM-NRFANRHFSA-N 1 0 394.563 4.437 20 0 GIADRO COc1ccccc1SC[C@H](C)C[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000180171976 822631953 /nfs/dbraw/zinc/63/19/53/822631953.db2.gz GIQGYDPQDJEWSL-OAHLLOKOSA-N 1 0 390.515 4.430 20 0 GIADRO CCC[C@@H]1C[C@H](C(=O)N[C@@H]2CCN(CC)[C@@H]2c2ccc(Cl)c(F)c2)CCO1 ZINC000180173745 822632413 /nfs/dbraw/zinc/63/24/13/822632413.db2.gz ADFFUCAELVRQRQ-XNFNUYLZSA-N 1 0 396.934 4.326 20 0 GIADRO Cc1nc(-c2ccccc2NC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)cs1 ZINC000455316711 822633436 /nfs/dbraw/zinc/63/34/36/822633436.db2.gz DNKHOWNWQUHAEZ-HNNXBMFYSA-N 1 0 384.549 4.457 20 0 GIADRO Cc1ccc(-c2cccnc2)cc1NC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000455328115 822635179 /nfs/dbraw/zinc/63/51/79/822635179.db2.gz QQXURGMXOHXICI-KRWDZBQOSA-N 1 0 378.520 4.395 20 0 GIADRO CO[C@H](C[NH2+][C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)c1ccccc1 ZINC000180194183 822636737 /nfs/dbraw/zinc/63/67/37/822636737.db2.gz XKSZEEFELZABHG-PKTZIBPZSA-N 1 0 395.524 4.157 20 0 GIADRO CO[C@H](C[NH2+][C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)c1ccccc1 ZINC000180194214 822636862 /nfs/dbraw/zinc/63/68/62/822636862.db2.gz XKSZEEFELZABHG-DHIUTWEWSA-N 1 0 395.524 4.157 20 0 GIADRO C[C@@H]([NH2+]C[C@H](O)COCc1ccc(Cl)cc1)c1nc(C(C)(C)C)cs1 ZINC000184446714 822636840 /nfs/dbraw/zinc/63/68/40/822636840.db2.gz SYJBLLKPTBJFES-CJNGLKHVSA-N 1 0 382.957 4.322 20 0 GIADRO CN(Cc1cn(C)nc1-c1cccs1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000180197420 822637496 /nfs/dbraw/zinc/63/74/96/822637496.db2.gz YSMRLOAPZCHQFE-IBGZPJMESA-N 1 0 380.561 4.103 20 0 GIADRO Cc1ccc(NC(=O)NC2CC[NH+](C3CC3)CC2)c(OCc2ccccc2)c1 ZINC000048139957 822638039 /nfs/dbraw/zinc/63/80/39/822638039.db2.gz RVMAKUKNFRELBO-UHFFFAOYSA-N 1 0 379.504 4.322 20 0 GIADRO Cc1cncc([C@H](C)[NH2+][C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)c1 ZINC000184456272 822638608 /nfs/dbraw/zinc/63/86/08/822638608.db2.gz LJFGCAZXPYWRCJ-KXBFYZLASA-N 1 0 391.437 4.251 20 0 GIADRO Cn1ccnc1CN[C@@H](COc1cccc(F)c1)c1cccc(C(F)(F)F)c1 ZINC000180206652 822639428 /nfs/dbraw/zinc/63/94/28/822639428.db2.gz FJALXWZVFUCWAM-SFHVURJKSA-N 1 0 393.384 4.488 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1ccc(C(F)F)cc1 ZINC000184462403 822639866 /nfs/dbraw/zinc/63/98/66/822639866.db2.gz LBAAHVIJHIKZHF-IBGZPJMESA-N 1 0 387.474 4.288 20 0 GIADRO COc1ccc(OC)c([C@@H](C)NC(=O)NCc2ccccc2C[N@H+](C)C(C)C)c1 ZINC000048152889 822640599 /nfs/dbraw/zinc/64/05/99/822640599.db2.gz NTUJHECEJAMJOV-QGZVFWFLSA-N 1 0 399.535 4.104 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(C2SCCS2)cc1 ZINC000180214735 822640775 /nfs/dbraw/zinc/64/07/75/822640775.db2.gz KTJKXVCOXOSMSM-UHFFFAOYSA-N 1 0 399.585 4.207 20 0 GIADRO O=C(Nc1cccc(OCc2cccc(F)c2)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000048162749 822641306 /nfs/dbraw/zinc/64/13/06/822641306.db2.gz IQJIMCVJLXVUGQ-UHFFFAOYSA-N 1 0 397.494 4.497 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000180223715 822642663 /nfs/dbraw/zinc/64/26/63/822642663.db2.gz IICUESNYOSHZTI-IRXDYDNUSA-N 1 0 387.886 4.010 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)NC[C@H](C)c2ncc(C)s2)CC1 ZINC000184478028 822642747 /nfs/dbraw/zinc/64/27/47/822642747.db2.gz WNMBDCGCJPFNEN-INIZCTEOSA-N 1 0 380.602 4.099 20 0 GIADRO CC[C@@H](C)Oc1cc(C(=O)Nc2ccccc2NC2CC[NH+](C)CC2)ccn1 ZINC000180227955 822643554 /nfs/dbraw/zinc/64/35/54/822643554.db2.gz WANZOTXGARJLEB-MRXNPFEDSA-N 1 0 382.508 4.017 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1ccc([S@](C)=O)cc1 ZINC000180228091 822643765 /nfs/dbraw/zinc/64/37/65/822643765.db2.gz NDXSOYPKFXQKNT-XSUODDOISA-N 1 0 381.900 4.397 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)c2cc(Cl)sc2Cl)CC1 ZINC000048214073 822645919 /nfs/dbraw/zinc/64/59/19/822645919.db2.gz FOUMBNMSTGCYBL-UHFFFAOYSA-N 1 0 384.332 4.449 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)NCc2ncc(-c3ccccc3)o2)cc1 ZINC000048214338 822645967 /nfs/dbraw/zinc/64/59/67/822645967.db2.gz HUKDYDQMSYYGFA-UHFFFAOYSA-N 1 0 392.503 4.183 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)Nc1cccc2cc(Br)cnc21 ZINC000455400726 822646930 /nfs/dbraw/zinc/64/69/30/822646930.db2.gz JSCVJJRDNOASAO-UHFFFAOYSA-N 1 0 393.329 4.239 20 0 GIADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)Cc2csc(-c3cccc(F)c3)n2)C1 ZINC000048237334 822647222 /nfs/dbraw/zinc/64/72/22/822647222.db2.gz ILGJDPHEUCMVQS-MRXNPFEDSA-N 1 0 389.540 4.120 20 0 GIADRO COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1 ZINC000184512372 822648450 /nfs/dbraw/zinc/64/84/50/822648450.db2.gz HFNDZNBFYIHVAZ-VBURHUQHSA-N 1 0 384.495 4.409 20 0 GIADRO C[NH+](C)CCc1ccc(NC(=O)[C@]2(Cc3cccc(Cl)c3)CCOC2)cc1 ZINC000455411200 822648746 /nfs/dbraw/zinc/64/87/46/822648746.db2.gz MLLQDADPIHTMKS-QFIPXVFZSA-N 1 0 386.923 4.032 20 0 GIADRO Cc1ccc(F)cc1C[NH+]1CCC(OCCCNC(=O)OC(C)(C)C)CC1 ZINC000180254773 822649020 /nfs/dbraw/zinc/64/90/20/822649020.db2.gz VTUWXILKVHHYTQ-UHFFFAOYSA-N 1 0 380.504 4.030 20 0 GIADRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)C3(C4CCC4)CCC3)CC2)c1C ZINC000455413539 822649161 /nfs/dbraw/zinc/64/91/61/822649161.db2.gz DHYAZBNRCWNTIQ-UHFFFAOYSA-N 1 0 399.579 4.100 20 0 GIADRO Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000048267783 822649844 /nfs/dbraw/zinc/64/98/44/822649844.db2.gz SBAZMOHLCIGYMC-GASCZTMLSA-N 1 0 393.597 4.139 20 0 GIADRO CC(C)[C@@H]([NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1)c1ccc(Cl)cc1F ZINC000180262370 822650456 /nfs/dbraw/zinc/65/04/56/822650456.db2.gz ZQFLEAFUFIEILQ-LJQANCHMSA-N 1 0 398.931 4.216 20 0 GIADRO COc1ccccc1COC[C@H](O)C[NH2+][C@H](C)c1nc(-c2ccccc2)cs1 ZINC000184524307 822650672 /nfs/dbraw/zinc/65/06/72/822650672.db2.gz FKYJRKYIBXMHJY-VQIMIIECSA-N 1 0 398.528 4.047 20 0 GIADRO CCc1nc2c(s1)[C@@H]([NH2+][C@H]1CCN(C(C)=O)Cc3cc(F)ccc31)CCC2 ZINC000184527487 822651344 /nfs/dbraw/zinc/65/13/44/822651344.db2.gz RIGLYRHPFPILGA-ROUUACIJSA-N 1 0 387.524 4.305 20 0 GIADRO CC(=O)Nc1ccc(C[NH2+]C[C@H](c2cccc(C(F)(F)F)c2)N(C)C)cc1 ZINC000184530029 822651933 /nfs/dbraw/zinc/65/19/33/822651933.db2.gz BFBVEACRFCHDRR-LJQANCHMSA-N 1 0 379.426 4.056 20 0 GIADRO O=C(CCCCC(=O)c1ccccc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000048299155 822652267 /nfs/dbraw/zinc/65/22/67/822652267.db2.gz RLEUUQGTCDDUGF-UHFFFAOYSA-N 1 0 378.516 4.211 20 0 GIADRO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1)CC3 ZINC000180274814 822652564 /nfs/dbraw/zinc/65/25/64/822652564.db2.gz WOQDQLGFIKYPAC-WBVHZDCISA-N 1 0 382.529 4.088 20 0 GIADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)Nc3cccc(COc4ccc(F)cc4)c3)C2)C1 ZINC000455432137 822652696 /nfs/dbraw/zinc/65/26/96/822652696.db2.gz DVTQIVZSPBRWQJ-HSZRJFAPSA-N 1 0 397.494 4.354 20 0 GIADRO Cc1csc(NC(=O)C[NH2+][C@H](C)c2sc(-c3ccc(C)cc3)nc2C)n1 ZINC000184539793 822653788 /nfs/dbraw/zinc/65/37/88/822653788.db2.gz DGPCBURTNTYJNK-CYBMUJFWSA-N 1 0 386.546 4.481 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]CC(=O)N(C)c1nccs1 ZINC000184541598 822654239 /nfs/dbraw/zinc/65/42/39/822654239.db2.gz POVRITPMHQMDTM-CYBMUJFWSA-N 1 0 386.546 4.197 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]Cc1cc(=O)n2ccccc2n1 ZINC000184545975 822654844 /nfs/dbraw/zinc/65/48/44/822654844.db2.gz NAUJZQAQMSPCTF-HNNXBMFYSA-N 1 0 390.512 4.286 20 0 GIADRO Cc1cc2cc(C(=O)N3CCC(CCC[NH+]4CCOCC4)CC3)oc2cc1C ZINC000180285421 822655481 /nfs/dbraw/zinc/65/54/81/822655481.db2.gz VBZPGMGKIHHQRB-UHFFFAOYSA-N 1 0 384.520 4.014 20 0 GIADRO CC(C)[C@@H](CC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000180290120 822656602 /nfs/dbraw/zinc/65/66/02/822656602.db2.gz AFKUTZPGMMQDFB-HSZRJFAPSA-N 1 0 386.580 4.167 20 0 GIADRO Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000048371293 822657100 /nfs/dbraw/zinc/65/71/00/822657100.db2.gz JAKMAWKHSIBHAM-SFHVURJKSA-N 1 0 394.519 4.243 20 0 GIADRO CC(=O)Nc1cc(NC(=O)NCC2([NH+]3CCCCC3)CCCCC2)ccc1C ZINC000048370947 822657123 /nfs/dbraw/zinc/65/71/23/822657123.db2.gz WLURUJOBGYQVFZ-UHFFFAOYSA-N 1 0 386.540 4.264 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)CCC(=O)c1ccc(F)cc1F ZINC000048399461 822659446 /nfs/dbraw/zinc/65/94/46/822659446.db2.gz FPGOVUASHPUWMP-UHFFFAOYSA-N 1 0 388.458 4.086 20 0 GIADRO CC(C)Oc1ccc([C@@H](C)NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000180307471 822661009 /nfs/dbraw/zinc/66/10/09/822661009.db2.gz YPCCVCLCDSSDAI-GOSISDBHSA-N 1 0 396.535 4.146 20 0 GIADRO CSc1ccc(CNC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000180309701 822661313 /nfs/dbraw/zinc/66/13/13/822661313.db2.gz TXYXXYXGDPRWJB-UHFFFAOYSA-N 1 0 398.576 4.252 20 0 GIADRO CSc1nc(C2CC2)nc(C)c1C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000180313880 822661990 /nfs/dbraw/zinc/66/19/90/822661990.db2.gz JQQKIKDDQYWSJL-UHFFFAOYSA-N 1 0 396.560 4.275 20 0 GIADRO C[C@H]([NH2+]C(C)(C)CNC(=O)Nc1ncn(C2CCCCC2)n1)c1ccccc1 ZINC000184592948 822662969 /nfs/dbraw/zinc/66/29/69/822662969.db2.gz ZRPGDZNICWGHMO-INIZCTEOSA-N 1 0 384.528 4.034 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)Nc1ccc(F)cc1Br ZINC000048451689 822663122 /nfs/dbraw/zinc/66/31/22/822663122.db2.gz NVJNJVNZYFWWJY-OAHLLOKOSA-N 1 0 396.260 4.140 20 0 GIADRO C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000455483508 822663207 /nfs/dbraw/zinc/66/32/07/822663207.db2.gz YEHXFBQEGDKJFV-JZIBPQBNSA-N 1 0 382.335 4.247 20 0 GIADRO COc1ccccc1Oc1ccc(NC(=O)N(C)CCC[NH+](C)C)cc1F ZINC000184597330 822663604 /nfs/dbraw/zinc/66/36/04/822663604.db2.gz BVFWHPKEFSBOIH-UHFFFAOYSA-N 1 0 375.444 4.042 20 0 GIADRO CN(C)C(=O)c1cccc(C[NH2+][C@@H](COc2ccccc2F)c2ccccc2)c1 ZINC000180327277 822663926 /nfs/dbraw/zinc/66/39/26/822663926.db2.gz HJLJNYBVNFTPCA-QFIPXVFZSA-N 1 0 392.474 4.437 20 0 GIADRO CN(C)C(=O)CC1CC[NH+](Cc2cccc(OCc3ccccc3F)c2)CC1 ZINC000180327977 822664137 /nfs/dbraw/zinc/66/41/37/822664137.db2.gz OPXGYOJFFMCVCY-UHFFFAOYSA-N 1 0 384.495 4.095 20 0 GIADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Nc2ccc(-c3ccncc3)c(C)c2)C1 ZINC000455506010 822667819 /nfs/dbraw/zinc/66/78/19/822667819.db2.gz LJYPFMMKHSHYTR-OAQYLSRUSA-N 1 0 396.535 4.022 20 0 GIADRO O=C(NCC(c1ccccc1)c1ccccc1)NC1CC[NH+](C2CCC2)CC1 ZINC000455506733 822668071 /nfs/dbraw/zinc/66/80/71/822668071.db2.gz YTFYRTVJLOLCPN-UHFFFAOYSA-N 1 0 377.532 4.135 20 0 GIADRO CC[C@@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)c1ccc(Br)cc1 ZINC000124298211 823585054 /nfs/dbraw/zinc/58/50/54/823585054.db2.gz QMOSVLQDSWXANI-IUODEOHRSA-N 1 0 379.264 4.374 20 0 GIADRO CC1(C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000184633660 822668949 /nfs/dbraw/zinc/66/89/49/822668949.db2.gz JXPCVIPMPDOFFN-JOCHJYFZSA-N 1 0 396.506 4.028 20 0 GIADRO CCOc1cccc2cc([C@H](C)[NH2+]CC(=O)Nc3cc(OC)ccc3OC)oc21 ZINC000180354835 822668974 /nfs/dbraw/zinc/66/89/74/822668974.db2.gz NMFCWLNWFQIDHQ-AWEZNQCLSA-N 1 0 398.459 4.138 20 0 GIADRO CCOc1cccc2cc([C@H](C)[NH2+]CC(=O)Nc3ccc(OC)c(OC)c3)oc21 ZINC000180355525 822669194 /nfs/dbraw/zinc/66/91/94/822669194.db2.gz SLVMTJQACUMNAL-AWEZNQCLSA-N 1 0 398.459 4.138 20 0 GIADRO CCOc1cccc2cc([C@H](C)[NH2+]CC(=O)Nc3ccc(OC)cc3OC)oc21 ZINC000180356704 822669690 /nfs/dbraw/zinc/66/96/90/822669690.db2.gz AICWSTXPOGOHQI-AWEZNQCLSA-N 1 0 398.459 4.138 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1cccc(Cl)c1F)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000184648842 822670794 /nfs/dbraw/zinc/67/07/94/822670794.db2.gz UMMFXHVGPNKIOV-OLZOCXBDSA-N 1 0 384.904 4.141 20 0 GIADRO COc1ccc(NC(=O)NC[C@H](c2cccs2)[NH+](C)C)c(C(F)(F)F)c1 ZINC000048549576 822671317 /nfs/dbraw/zinc/67/13/17/822671317.db2.gz FYHJBVHWLBIHDN-CQSZACIVSA-N 1 0 387.427 4.200 20 0 GIADRO CC1CC[NH+](CCCCNC(=O)Cc2nc(-c3ccc(F)cc3)cs2)CC1 ZINC000184661358 822672159 /nfs/dbraw/zinc/67/21/59/822672159.db2.gz DDMGQVDWUIJCKN-UHFFFAOYSA-N 1 0 389.540 4.120 20 0 GIADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)Nc2cccc(-c3ncco3)c2C)cc1 ZINC000455546115 822673130 /nfs/dbraw/zinc/67/31/30/822673130.db2.gz XUOSZNWDGHPXOU-HXUWFJFHSA-N 1 0 394.475 4.083 20 0 GIADRO C[C@@H]([NH2+][C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1ccc(Cl)nc1 ZINC000184669956 822673379 /nfs/dbraw/zinc/67/33/79/822673379.db2.gz LZVNDPPSHAVDBQ-DOMZBBRYSA-N 1 0 397.828 4.206 20 0 GIADRO C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000455552269 822673839 /nfs/dbraw/zinc/67/38/39/822673839.db2.gz FKEIJHKOYSZFPE-HOTGVXAUSA-N 1 0 377.960 4.490 20 0 GIADRO COc1ccc(C(=O)C2CC[NH+](Cc3cc(Cl)cc(OC)c3O)CC2)cc1 ZINC000184676901 822674605 /nfs/dbraw/zinc/67/46/05/822674605.db2.gz QFDJSFWTJHCRIJ-UHFFFAOYSA-N 1 0 389.879 4.158 20 0 GIADRO C[C@@H]([NH2+]Cc1cc2cc(Br)ccc2[nH]1)c1ccc(-n2cncn2)cc1 ZINC000184678810 822675098 /nfs/dbraw/zinc/67/50/98/822675098.db2.gz ZPYHCGQTWJLIOF-CYBMUJFWSA-N 1 0 396.292 4.362 20 0 GIADRO C[C@@H](CNC(=O)NC1CC[NH+](C2CCC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000455566065 822675555 /nfs/dbraw/zinc/67/55/55/822675555.db2.gz RJJPPBKZVXRFCQ-AWEZNQCLSA-N 1 0 383.458 4.125 20 0 GIADRO CC[N@H+](CCC1CCN(C(=O)Nc2ccc(OC(F)F)cn2)CC1)CC1CC1 ZINC000455566481 822675755 /nfs/dbraw/zinc/67/57/55/822675755.db2.gz XYABFHHCMRQHTR-UHFFFAOYSA-N 1 0 396.482 4.049 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1cc(F)cc(F)c1F ZINC000455568112 822675902 /nfs/dbraw/zinc/67/59/02/822675902.db2.gz QBKBHTSUWQTSBG-DYVFJYSZSA-N 1 0 377.410 4.136 20 0 GIADRO CCOc1ccc([C@@H]([NH2+][C@@H]2CCc3nc(C)nn3C2)c2ccccc2Cl)cc1 ZINC000180408418 822676583 /nfs/dbraw/zinc/67/65/83/822676583.db2.gz LEDRLYONUAKPFQ-VGOFRKELSA-N 1 0 396.922 4.333 20 0 GIADRO CC[C@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1)c1ccc(Cl)cc1 ZINC000184687832 822676673 /nfs/dbraw/zinc/67/66/73/822676673.db2.gz WGIZECAZBOKQCG-SFHVURJKSA-N 1 0 396.915 4.260 20 0 GIADRO COc1ccc([C@H]([NH2+][C@H]2CCc3nc(C)nn3C2)c2ccc(Cl)cc2)cc1C ZINC000180410120 822676967 /nfs/dbraw/zinc/67/69/67/822676967.db2.gz YWRAQPPKXMAOGF-SIKLNZKXSA-N 1 0 396.922 4.251 20 0 GIADRO COc1cc(NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)cc(OC)c1C ZINC000455575529 822677288 /nfs/dbraw/zinc/67/72/88/822677288.db2.gz KCNVBQVLJHNIKJ-UHFFFAOYSA-N 1 0 397.519 4.141 20 0 GIADRO COc1cc(NC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc(OC)c1C ZINC000455574806 822677299 /nfs/dbraw/zinc/67/72/99/822677299.db2.gz JHLRIHPRVLXYRL-SFHVURJKSA-N 1 0 389.540 4.132 20 0 GIADRO CC[C@@H](C)C(=O)Nc1cccc(C[NH2+][C@H](C)c2ccc(OC)c(NC(C)=O)c2)c1 ZINC000180421722 822678811 /nfs/dbraw/zinc/67/88/11/822678811.db2.gz ZHMGEZATINFSLW-HZPDHXFCSA-N 1 0 397.519 4.489 20 0 GIADRO CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000180422876 822679082 /nfs/dbraw/zinc/67/90/82/822679082.db2.gz RTZKPNULQYGMEX-HSZRJFAPSA-N 1 0 395.547 4.322 20 0 GIADRO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000048710951 822679207 /nfs/dbraw/zinc/67/92/07/822679207.db2.gz RPKSCBUSOJMZEL-UHFFFAOYSA-N 1 0 397.473 4.052 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3scnc3C(C)(C)C)cc2)CC1 ZINC000180424324 822679245 /nfs/dbraw/zinc/67/92/45/822679245.db2.gz GOJMFXTYOXYKBL-UHFFFAOYSA-N 1 0 386.565 4.223 20 0 GIADRO CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)c1 ZINC000180423645 822679298 /nfs/dbraw/zinc/67/92/98/822679298.db2.gz CDGRPVOBNZCHCD-DLBZAZTESA-N 1 0 395.503 4.479 20 0 GIADRO C[C@H]([NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000048715372 822679715 /nfs/dbraw/zinc/67/97/15/822679715.db2.gz IEGRGLGVQLHJHK-AWEZNQCLSA-N 1 0 380.879 4.261 20 0 GIADRO COc1cc(Cl)cc(C[NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)c1O ZINC000184707359 822679962 /nfs/dbraw/zinc/67/99/62/822679962.db2.gz OEQWUTOHKIXANL-UHFFFAOYSA-N 1 0 394.258 4.090 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)C/C=C/c1ccc(F)cc1 ZINC000180428437 822680131 /nfs/dbraw/zinc/68/01/31/822680131.db2.gz QPHRITFUURAWCE-NSCUHMNNSA-N 1 0 381.495 4.389 20 0 GIADRO CC[NH+](CC)[C@H](C)CNC(=O)Nc1cc(NC(=O)Nc2ccccc2)ccc1C ZINC000048736576 822680227 /nfs/dbraw/zinc/68/02/27/822680227.db2.gz UHHKPAGFZDBMIS-QGZVFWFLSA-N 1 0 397.523 4.491 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)C(C)(C)c1ccc(F)cc1 ZINC000180429542 822680346 /nfs/dbraw/zinc/68/03/46/822680346.db2.gz QBFDNZZSAXYRNL-UHFFFAOYSA-N 1 0 383.511 4.263 20 0 GIADRO CN(C)c1c(Cl)cccc1NC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000048739687 822680540 /nfs/dbraw/zinc/68/05/40/822680540.db2.gz IAMPPYDVNKCJBW-UHFFFAOYSA-N 1 0 386.927 4.146 20 0 GIADRO O=C(NCc1ccco1)c1cccc(C[NH2+]Cc2ccc(Br)cc2)c1 ZINC000048748087 822680966 /nfs/dbraw/zinc/68/09/66/822680966.db2.gz YPJYAYBPBJHQPC-UHFFFAOYSA-N 1 0 399.288 4.262 20 0 GIADRO C[C@@H]1CCCN(S(=O)(=O)c2ccc(C[NH2+]Cc3ccc(Cl)s3)cc2)C1 ZINC000048746641 822681027 /nfs/dbraw/zinc/68/10/27/822681027.db2.gz POXQGMXTYTXBNL-CQSZACIVSA-N 1 0 398.981 4.112 20 0 GIADRO CC[C@@H]([NH2+]Cc1ccc(Cl)c(Cl)c1)c1ccccc1OCC(=O)NC ZINC000048749848 822681096 /nfs/dbraw/zinc/68/10/96/822681096.db2.gz VWKHFXCFEPKCPN-QGZVFWFLSA-N 1 0 381.303 4.359 20 0 GIADRO COc1cccc(C[NH2+]Cc2ccc(Oc3c(OC)cccc3OC)nc2)c1 ZINC000048749599 822681177 /nfs/dbraw/zinc/68/11/77/822681177.db2.gz JTTCZEOVYIUWBX-UHFFFAOYSA-N 1 0 380.444 4.190 20 0 GIADRO C[C@@H]([NH2+]C1(c2ccc(Br)cc2)CCC1)c1ccc(-n2cnnn2)cc1 ZINC000180438662 822682156 /nfs/dbraw/zinc/68/21/56/822682156.db2.gz RAZJMLKQSPKSGS-CQSZACIVSA-N 1 0 398.308 4.155 20 0 GIADRO COc1ccc(C[NH2+]Cc2c(C)nn(-c3ccc(F)cc3F)c2C)c(OC)c1 ZINC000048777037 822682449 /nfs/dbraw/zinc/68/24/49/822682449.db2.gz HWDPDEZHUNMNSA-UHFFFAOYSA-N 1 0 387.430 4.074 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)C1(c2cccc(F)c2)CC1 ZINC000180442130 822682813 /nfs/dbraw/zinc/68/28/13/822682813.db2.gz XBNGJPUMHDBIEP-UHFFFAOYSA-N 1 0 381.495 4.017 20 0 GIADRO CC(=O)Nc1ccc(C[NH2+]Cc2cccc(NC(=O)c3cccc(F)c3)c2)cc1 ZINC000048781509 822683112 /nfs/dbraw/zinc/68/31/12/822683112.db2.gz HZCBBBJNWBVKGU-UHFFFAOYSA-N 1 0 391.446 4.326 20 0 GIADRO c1ccc2c(c1)C1C[C@H](C[NH2+]Cc3cnc(N4CCCC4)nc3)C2c2ccccc21 ZINC000048786390 822683257 /nfs/dbraw/zinc/68/32/57/822683257.db2.gz YTQJFSHECLFBQZ-PNEAOOGRSA-N 1 0 396.538 4.464 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)N[C@@H](c2ccccc2)C(F)F)C1 ZINC000455607943 822683683 /nfs/dbraw/zinc/68/36/83/822683683.db2.gz XIGJLGRPHYEITI-AOIWGVFYSA-N 1 0 379.495 4.289 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)N[C@@H](c2ccccc2)C(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000455610243 822684081 /nfs/dbraw/zinc/68/40/81/822684081.db2.gz BFSIJFGBMQPLBC-AHRSYUTCSA-N 1 0 387.474 4.345 20 0 GIADRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCc1nc(-c2ccc(F)cc2)no1 ZINC000184742673 822684595 /nfs/dbraw/zinc/68/45/95/822684595.db2.gz BGYBXTWRHTUADD-IRXDYDNUSA-N 1 0 394.494 4.122 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)Nc2cccc(C3CC3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000455621179 822685521 /nfs/dbraw/zinc/68/55/21/822685521.db2.gz QJUNFDMYNUXGNW-FXAWDEMLSA-N 1 0 378.520 4.476 20 0 GIADRO CCCOc1c(Cl)cc(CN2CCS[C@@H]3COCC[C@@H]32)cc1OCC ZINC000180457856 822685936 /nfs/dbraw/zinc/68/59/36/822685936.db2.gz HDFBNVMDMNNEAL-FUHWJXTLSA-N 1 0 385.957 4.234 20 0 GIADRO CC(C)(C)c1csc(CNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)n1 ZINC000184755084 822686404 /nfs/dbraw/zinc/68/64/04/822686404.db2.gz KOISTYJEPSVYNK-UHFFFAOYSA-N 1 0 385.577 4.359 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)Cc2noc3ccccc23)C1 ZINC000048885807 822687813 /nfs/dbraw/zinc/68/78/13/822687813.db2.gz IRDJGTCVPTUHMM-HDICACEKSA-N 1 0 391.515 4.165 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N[C@@H](c1ccccc1)C(F)F ZINC000455641011 822689313 /nfs/dbraw/zinc/68/93/13/822689313.db2.gz HFBHPVHBKKFWBO-AHRSYUTCSA-N 1 0 387.474 4.203 20 0 GIADRO CCC(CC)[C@H]1C[C@H](NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)CCO1 ZINC000180487266 822689931 /nfs/dbraw/zinc/68/99/31/822689931.db2.gz VHBYTDGVTUGISM-FGZHOGPDSA-N 1 0 387.568 4.065 20 0 GIADRO C[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)Nc1ccnn1CC[NH+](C)C ZINC000455648776 822691054 /nfs/dbraw/zinc/69/10/54/822691054.db2.gz ONQHJEYLZNZHSZ-LJQANCHMSA-N 1 0 391.519 4.240 20 0 GIADRO C[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)Nc1ccnn1CC[NH+](C)C ZINC000455648775 822691071 /nfs/dbraw/zinc/69/10/71/822691071.db2.gz ONQHJEYLZNZHSZ-IBGZPJMESA-N 1 0 391.519 4.240 20 0 GIADRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CC(=O)N(C)c3ccccc3)s2)cc1 ZINC000184788756 822691131 /nfs/dbraw/zinc/69/11/31/822691131.db2.gz SVFCHIWCOLUZMA-HNNXBMFYSA-N 1 0 395.528 4.441 20 0 GIADRO Cc1cccc(C[NH2+]C[C@H]2CCN(c3ccc(Br)cc3)C2)c1O ZINC000180499864 822691600 /nfs/dbraw/zinc/69/16/00/822691600.db2.gz GDCYNWPBQHEAPO-OAHLLOKOSA-N 1 0 375.310 4.079 20 0 GIADRO O=C(CCc1ccc(-c2ccccc2F)o1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000049073692 822692244 /nfs/dbraw/zinc/69/22/44/822692244.db2.gz UWNSWDQNHDPRNR-UHFFFAOYSA-N 1 0 384.495 4.353 20 0 GIADRO CC[NH+](CC)CC1CCN(C(=O)CSc2ccc(Br)cc2)CC1 ZINC000049075664 822692407 /nfs/dbraw/zinc/69/24/07/822692407.db2.gz CYKQWXSKWIMQPF-UHFFFAOYSA-N 1 0 399.398 4.122 20 0 GIADRO CC[NH+](CC)CC1CCN(C(=O)c2ccccc2OCc2c(C)noc2C)CC1 ZINC000049077825 822692444 /nfs/dbraw/zinc/69/24/44/822692444.db2.gz TWZPMBYOPIMEBD-UHFFFAOYSA-N 1 0 399.535 4.064 20 0 GIADRO CCOCc1cc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cccs2)ccc1OC ZINC000180504500 822692448 /nfs/dbraw/zinc/69/24/48/822692448.db2.gz WQVXOECLMSQDJO-OALUTQOASA-N 1 0 375.534 4.381 20 0 GIADRO C[C@@H](NC(=O)Nc1ccnn1CC[NH+](C)C)c1ccc(Cl)c2ccccc21 ZINC000455656143 822692536 /nfs/dbraw/zinc/69/25/36/822692536.db2.gz JXDNFPDVPXULPB-CQSZACIVSA-N 1 0 385.899 4.134 20 0 GIADRO COc1cccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cccs2)c1OC(F)F ZINC000180505620 822692788 /nfs/dbraw/zinc/69/27/88/822692788.db2.gz BVKLQJUXMHMFMZ-GJZGRUSLSA-N 1 0 383.460 4.446 20 0 GIADRO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(Br)cc2SC(C)C)C1 ZINC000180506871 822693100 /nfs/dbraw/zinc/69/31/00/822693100.db2.gz XBVFQAUNHZVFJM-OAHLLOKOSA-N 1 0 399.398 4.250 20 0 GIADRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(Br)cc2SC(C)C)C1 ZINC000180506852 822693107 /nfs/dbraw/zinc/69/31/07/822693107.db2.gz XBVFQAUNHZVFJM-HNNXBMFYSA-N 1 0 399.398 4.250 20 0 GIADRO COc1cc(C[NH2+][C@H](C)c2ccccc2N(C)C)cc(Br)c1OC ZINC000180507178 822693112 /nfs/dbraw/zinc/69/31/12/822693112.db2.gz AVUAAZCSLALWAW-CYBMUJFWSA-N 1 0 393.325 4.383 20 0 GIADRO O=C(c1cccc(Br)c1Cl)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000180507532 822693357 /nfs/dbraw/zinc/69/33/57/822693357.db2.gz XSJSKIYQQLIHRQ-BLLLJJGKSA-N 1 0 397.744 4.191 20 0 GIADRO C[C@H](c1ccc2ccccc2c1)N(C(=O)Nc1ccnn1CC[NH+](C)C)C1CC1 ZINC000455658744 822693420 /nfs/dbraw/zinc/69/34/20/822693420.db2.gz OBHBOEDGDCCGQW-QGZVFWFLSA-N 1 0 391.519 4.355 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc([C@@H]2CCOC2)cc1)c1ccsc1 ZINC000455661226 822694098 /nfs/dbraw/zinc/69/40/98/822694098.db2.gz JFCXFHSMBFYWPQ-XLIONFOSSA-N 1 0 387.549 4.457 20 0 GIADRO CSCc1ccccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000184810764 822694158 /nfs/dbraw/zinc/69/41/58/822694158.db2.gz WSIKIJSIZNNONF-UHFFFAOYSA-N 1 0 393.503 4.424 20 0 GIADRO Cc1n[nH]c(C)c1[C@@H]1CCCN1CC(=O)Nc1ccccc1SC(F)F ZINC000180525085 822696121 /nfs/dbraw/zinc/69/61/21/822696121.db2.gz RYUCGRLBSOSCPN-AWEZNQCLSA-N 1 0 380.464 4.117 20 0 GIADRO C[C@@H]1CCN(C(=O)Nc2ccc([C@@H]3CCOC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000455672365 822696767 /nfs/dbraw/zinc/69/67/67/822696767.db2.gz MJOZVNJDBROFHY-DENIHFKCSA-N 1 0 393.531 4.319 20 0 GIADRO C[C@H](Nc1ccc(NC(=O)Nc2ccnn2CC[NH+](C)C)cc1)c1ccccc1 ZINC000455673474 822697058 /nfs/dbraw/zinc/69/70/58/822697058.db2.gz XDARRXKEVUQALO-KRWDZBQOSA-N 1 0 392.507 4.262 20 0 GIADRO Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)NNc3cc[nH+]cc3)cc12 ZINC000180533848 822697582 /nfs/dbraw/zinc/69/75/82/822697582.db2.gz VWEUSDSCXUTQCL-UHFFFAOYSA-N 1 0 383.864 4.201 20 0 GIADRO COc1cc([C@@H](C)[NH2+]CCc2cccc(C(N)=O)c2)ccc1SC(F)F ZINC000180534170 822697629 /nfs/dbraw/zinc/69/76/29/822697629.db2.gz UWVVIUGXBQYWFT-GFCCVEGCSA-N 1 0 380.460 4.002 20 0 GIADRO Cc1nc2c(s1)[C@H]([NH2+]C[C@@H](c1cccc(Cl)c1)N1CCOCC1)CCC2 ZINC000180535544 822698033 /nfs/dbraw/zinc/69/80/33/822698033.db2.gz WMNXSUDBUCAQRY-MJGOQNOKSA-N 1 0 391.968 4.145 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)Nc2ccc([C@H]3CCOC3)cc2)c1 ZINC000455679535 822698943 /nfs/dbraw/zinc/69/89/43/822698943.db2.gz ZWQPRTHBZAHKFF-NRFANRHFSA-N 1 0 381.520 4.354 20 0 GIADRO C[NH+](C)C1(CN[C@@H](c2ccccc2Cl)c2cc(F)ccc2F)CCOCC1 ZINC000180542804 822699079 /nfs/dbraw/zinc/69/90/79/822699079.db2.gz RSBIXAFSMIZMRX-FQEVSTJZSA-N 1 0 394.893 4.408 20 0 GIADRO CCCOc1ccc([C@H](C)NC(=O)NCc2cccc(C[NH+](C)C)c2)cc1OC ZINC000049335934 822699424 /nfs/dbraw/zinc/69/94/24/822699424.db2.gz PKGRIZFXAOHESG-KRWDZBQOSA-N 1 0 399.535 4.106 20 0 GIADRO COc1ccc([C@@H](CNC(=O)Nc2cncc(Cl)c2C)[NH+]2CCCC2)cc1 ZINC000455682010 822699640 /nfs/dbraw/zinc/69/96/40/822699640.db2.gz BIKSWTADGFEBBO-LJQANCHMSA-N 1 0 388.899 4.011 20 0 GIADRO COCC[C@@](C)(O)C[NH2+][C@H](c1ccccc1)c1ccc(Br)cc1F ZINC000180557721 822702032 /nfs/dbraw/zinc/70/20/32/822702032.db2.gz UBHDXZVYCWVKNY-RTBURBONSA-N 1 0 396.300 4.055 20 0 GIADRO COCC[C@](C)(O)C[NH2+][C@@H](c1ccccc1)c1ccc(Br)cc1F ZINC000180557702 822702062 /nfs/dbraw/zinc/70/20/62/822702062.db2.gz UBHDXZVYCWVKNY-OALUTQOASA-N 1 0 396.300 4.055 20 0 GIADRO CC(=O)c1cccc(OC[C@@H](O)C[NH2+][C@@H](CC(F)(F)F)c2ccc(F)cc2)c1 ZINC000180559121 822702272 /nfs/dbraw/zinc/70/22/72/822702272.db2.gz FVORDNWGYMZJLG-HKUYNNGSSA-N 1 0 399.384 4.051 20 0 GIADRO CCc1noc(-c2ccc(CC[NH2+][C@@H](C)CC(=O)Nc3ccccc3C)cc2)n1 ZINC000180561078 822702783 /nfs/dbraw/zinc/70/27/83/822702783.db2.gz LDUSRTOWTHIDGD-KRWDZBQOSA-N 1 0 392.503 4.157 20 0 GIADRO Cc1cc2ncc([C@@H](C)[NH2+][C@H]3CCc4c3cccc4Br)c(C)n2n1 ZINC000180563374 822703328 /nfs/dbraw/zinc/70/33/28/822703328.db2.gz LYTIZGFAXTXIED-XIKOKIGWSA-N 1 0 385.309 4.447 20 0 GIADRO CC(C)c1cccc(-c2ccc(C(=O)NC3CC[NH+](C[C@@H]4CCOC4)CC3)o2)c1 ZINC000180566604 822703845 /nfs/dbraw/zinc/70/38/45/822703845.db2.gz CQKWCXOGARMGKR-SFHVURJKSA-N 1 0 396.531 4.301 20 0 GIADRO CCCN(CC[NH+](CC)CC)C(=O)Nc1ccc(N(C(C)=O)[C@@H]2C[C@@H]2C)cc1 ZINC000455701793 822706714 /nfs/dbraw/zinc/70/67/14/822706714.db2.gz OUVAEHSHKXRWPT-LAUBAEHRSA-N 1 0 388.556 4.034 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)N(C)[C@H](C)c3ccc(C)cc3)c2)CC1 ZINC000184884250 822706721 /nfs/dbraw/zinc/70/67/21/822706721.db2.gz JHLNDLFPZLQPGA-LJQANCHMSA-N 1 0 380.536 4.362 20 0 GIADRO Cc1c(Cl)cncc1NC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000455704692 822707810 /nfs/dbraw/zinc/70/78/10/822707810.db2.gz CFPHQIXJTOGQDF-UHFFFAOYSA-N 1 0 386.927 4.216 20 0 GIADRO C[C@@H](C[NH2+][C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl)C[C@H](C)O ZINC000180600689 822708854 /nfs/dbraw/zinc/70/88/54/822708854.db2.gz JBWNTBOCGKJKRJ-WIEQDCTASA-N 1 0 375.896 4.197 20 0 GIADRO O[C@@H](C[C@@H]1CCC[N@@H+]1Cc1ccccc1OCc1ccccn1)c1ccco1 ZINC000180602589 822709524 /nfs/dbraw/zinc/70/95/24/822709524.db2.gz YSLVPMOIQLYGNC-SFTDATJTSA-N 1 0 378.472 4.342 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)N(Cc1cccs1)C1CC1)[NH+]1CCCC1 ZINC000049790206 822709676 /nfs/dbraw/zinc/70/96/76/822709676.db2.gz JUCJXDANWXYJSP-HXUWFJFHSA-N 1 0 399.560 4.268 20 0 GIADRO CCN(C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1)[C@H](C)c1cccc(O)c1 ZINC000184906808 822711021 /nfs/dbraw/zinc/71/10/21/822711021.db2.gz NDRNWNHZZDQJQW-GOSISDBHSA-N 1 0 396.535 4.149 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)N3C[C@H](c4ccccc4)C[C@H]3C)c2)CC1 ZINC000184906917 822711312 /nfs/dbraw/zinc/71/13/12/822711312.db2.gz OIZGHKPJWCNWBX-TZIWHRDSSA-N 1 0 392.547 4.238 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)N3CC[C@H](c4ccccc4)[C@H]3C)c2)CC1 ZINC000184909360 822711582 /nfs/dbraw/zinc/71/15/82/822711582.db2.gz JNLSKLFZUXTUHG-XXBNENTESA-N 1 0 392.547 4.238 20 0 GIADRO C[C@@H]1CC[N@H+](Cc2cccc3c2N(C(=O)OC(C)(C)C)CC3)C[C@@H]1n1ccnc1 ZINC000180610612 822711949 /nfs/dbraw/zinc/71/19/49/822711949.db2.gz HLWNJEHLMLJFIG-XLIONFOSSA-N 1 0 396.535 4.264 20 0 GIADRO C[C@@H]1CCN(C(=O)Nc2ccccc2OCCF)CC[N@@H+]1Cc1ccccc1 ZINC000455718712 822712604 /nfs/dbraw/zinc/71/26/04/822712604.db2.gz BWULTSAPRKLHKR-GOSISDBHSA-N 1 0 385.483 4.163 20 0 GIADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000049993579 822713350 /nfs/dbraw/zinc/71/33/50/822713350.db2.gz RQKSSQYKSJUTLK-YPAWHYETSA-N 1 0 397.950 4.352 20 0 GIADRO CC(C)CN(C(=O)[C@H]1C[C@@H]1c1cccc(Br)c1)C1CC[NH+](C)CC1 ZINC000049993609 822713369 /nfs/dbraw/zinc/71/33/69/822713369.db2.gz CNMUDTUGCXTXPF-MOPGFXCFSA-N 1 0 393.369 4.131 20 0 GIADRO Cc1cc(N2CCCC2)ccc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000050028304 822715023 /nfs/dbraw/zinc/71/50/23/822715023.db2.gz OXFKZBHECVBZDB-OAQYLSRUSA-N 1 0 377.532 4.446 20 0 GIADRO Cc1sc([C@@H](C)[NH2+][C@H](C)CN2CCOCC2)nc1-c1ccc(Cl)cc1 ZINC000184949079 822717147 /nfs/dbraw/zinc/71/71/47/822717147.db2.gz NIELMXJHTVJGGO-ZIAGYGMSSA-N 1 0 379.957 4.143 20 0 GIADRO CC(C)OC[C@@H](O)C[NH2+][C@@H](C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000184957327 822718367 /nfs/dbraw/zinc/71/83/67/822718367.db2.gz GPPBYKKUGWIQKH-WFASDCNBSA-N 1 0 399.354 4.009 20 0 GIADRO CCOc1cc(NC2CC[NH+](Cn3ccc(=S)c4ccccc43)CC2)ncn1 ZINC000184964491 822719349 /nfs/dbraw/zinc/71/93/49/822719349.db2.gz QNUJVGVPFKNZJM-UHFFFAOYSA-N 1 0 395.532 4.093 20 0 GIADRO CN(C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H]1CCc2ccccc21 ZINC000050137056 822720064 /nfs/dbraw/zinc/72/00/64/822720064.db2.gz MVDJSBOMCIXYFJ-LAUBAEHRSA-N 1 0 383.561 4.289 20 0 GIADRO Cc1ccc(CN(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)C2CC2)o1 ZINC000050137774 822720067 /nfs/dbraw/zinc/72/00/67/822720067.db2.gz QTXQUIGFYKKESF-KRWDZBQOSA-N 1 0 387.549 4.236 20 0 GIADRO O=C(C[NH2+][C@H](Cc1ccccc1)c1cccs1)N[C@@H]1CCOc2ccccc21 ZINC000184975407 822720344 /nfs/dbraw/zinc/72/03/44/822720344.db2.gz OGDSOQLOPDDIDP-WOJBJXKFSA-N 1 0 392.524 4.262 20 0 GIADRO CCOc1ccc(Cl)c(NC(=O)N2CCC(OCC[NH+](CC)CC)CC2)c1 ZINC000455764126 822722060 /nfs/dbraw/zinc/72/20/60/822722060.db2.gz DJPGYVHKFLFUHE-UHFFFAOYSA-N 1 0 397.947 4.093 20 0 GIADRO COc1ccc(C[N@@H+]2CCCN(C(=O)Nc3cccc(OC(C)C)c3)CC2)cc1 ZINC000455770675 822723437 /nfs/dbraw/zinc/72/34/37/822723437.db2.gz NZWSZCGWYXWWKQ-UHFFFAOYSA-N 1 0 397.519 4.222 20 0 GIADRO C[C@H]([NH2+]C[C@H]1CCN(c2ccccc2)C1)c1ccc(Br)cc1O ZINC000184998862 822723646 /nfs/dbraw/zinc/72/36/46/822723646.db2.gz GRGMEPKHRBOKAK-LSDHHAIUSA-N 1 0 375.310 4.332 20 0 GIADRO CCOc1ccc(C[NH2+][C@H](C)c2cc(Br)ccc2O)cc1OC ZINC000185009263 822724820 /nfs/dbraw/zinc/72/48/20/822724820.db2.gz BOXIXPNQNPZWKH-GFCCVEGCSA-N 1 0 380.282 4.413 20 0 GIADRO CC(C)Oc1cccc(NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000455779002 822725010 /nfs/dbraw/zinc/72/50/10/822725010.db2.gz IDZNUAQKFQYSGL-RTWAWAEBSA-N 1 0 393.531 4.460 20 0 GIADRO COCC[N@H+](C)CCCC1CCN(C(=O)Nc2cccc(OC(C)C)c2)CC1 ZINC000455789758 822727174 /nfs/dbraw/zinc/72/71/74/822727174.db2.gz YKMMIYIHFIZWJQ-UHFFFAOYSA-N 1 0 391.556 4.076 20 0 GIADRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)Nc1ncc(C2CCOCC2)s1 ZINC000455792965 822727567 /nfs/dbraw/zinc/72/75/67/822727567.db2.gz RCVSQNZCQZGERX-IRXDYDNUSA-N 1 0 394.585 4.059 20 0 GIADRO C[C@H]([NH2+]Cc1cc(-c2cnn(C)c2)no1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000185061262 822731023 /nfs/dbraw/zinc/73/10/23/822731023.db2.gz XCPFEYITQHGFBG-OLZOCXBDSA-N 1 0 378.398 4.376 20 0 GIADRO CCCn1ncc(NC(=O)NCc2ccc(C[NH+](CC)CC)cc2)c1C1CC1 ZINC000455827865 822732978 /nfs/dbraw/zinc/73/29/78/822732978.db2.gz KUFCAAUVORCGST-UHFFFAOYSA-N 1 0 383.540 4.334 20 0 GIADRO Fc1cc(C[NH2+]Cc2ccc(-c3ccccc3)cc2)cnc1N1CCOCC1 ZINC000185073152 822733033 /nfs/dbraw/zinc/73/30/33/822733033.db2.gz URWNYSCHNQLVNL-UHFFFAOYSA-N 1 0 377.463 4.014 20 0 GIADRO CCCn1ncc(NC(=O)NCc2ccccc2C[NH+]2CCCC2)c1C1CC1 ZINC000455832660 822733461 /nfs/dbraw/zinc/73/34/61/822733461.db2.gz PHOJBVYVBDNMSV-UHFFFAOYSA-N 1 0 381.524 4.088 20 0 GIADRO CC[C@H](C)Oc1cc(CNC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)ccn1 ZINC000455835341 822733911 /nfs/dbraw/zinc/73/39/11/822733911.db2.gz AHMWHUKETWQUGN-MGPUTAFESA-N 1 0 382.508 4.130 20 0 GIADRO CCCn1ncc(NC(=O)NCc2ccccc2C[NH+](CC)CC)c1C1CC1 ZINC000455835131 822733959 /nfs/dbraw/zinc/73/39/59/822733959.db2.gz RSJPIKOMHWLVMO-UHFFFAOYSA-N 1 0 383.540 4.334 20 0 GIADRO CCn1ccnc1[C@@H]1CCCCN1C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455837564 822734579 /nfs/dbraw/zinc/73/45/79/822734579.db2.gz BKUZCVZKBCEWNS-UXHICEINSA-N 1 0 381.524 4.211 20 0 GIADRO CCCn1ncc(NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1C1CC1 ZINC000455841150 822735296 /nfs/dbraw/zinc/73/52/96/822735296.db2.gz XTIGKMFMGCUOEC-UHFFFAOYSA-N 1 0 381.524 4.088 20 0 GIADRO O=C(CCCOCc1ccccc1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000050631737 822735341 /nfs/dbraw/zinc/73/53/41/822735341.db2.gz CFUWOUREOWCUNQ-FQEVSTJZSA-N 1 0 386.561 4.073 20 0 GIADRO CCCn1ncc(NC(=O)NCc2cccc(C[NH+](CC)CC)c2)c1C1CC1 ZINC000455842659 822735531 /nfs/dbraw/zinc/73/55/31/822735531.db2.gz ZQYQUUQDQKRCJU-UHFFFAOYSA-N 1 0 383.540 4.334 20 0 GIADRO CC[C@H]1Cc2ccccc2CN1C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000185093750 822736069 /nfs/dbraw/zinc/73/60/69/822736069.db2.gz YRJKLJOMVAODKM-JPYJTQIMSA-N 1 0 392.547 4.154 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(Cn2cccn2)c1)c1ccc(Br)cc1O ZINC000185094049 822736264 /nfs/dbraw/zinc/73/62/64/822736264.db2.gz OWQLIAKHNGZUJP-CQSZACIVSA-N 1 0 386.293 4.250 20 0 GIADRO O=C(NCCCCOCc1ccccc1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000050689107 822736262 /nfs/dbraw/zinc/73/62/62/822736262.db2.gz CZKUJELERLXAJD-QFIPXVFZSA-N 1 0 398.522 4.151 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3c(F)ccc(F)c3F)cc2F)CC1 ZINC000185095365 822736463 /nfs/dbraw/zinc/73/64/63/822736463.db2.gz CSPXULJSXAMLHR-UHFFFAOYSA-N 1 0 395.400 4.026 20 0 GIADRO O=S1(=O)CCCN1c1cccc(C[NH2+]Cc2ccc(-c3ccccc3)s2)c1 ZINC000185095525 822736505 /nfs/dbraw/zinc/73/65/05/822736505.db2.gz SVVQMZUAAHZYRJ-UHFFFAOYSA-N 1 0 398.553 4.245 20 0 GIADRO CCOc1ccc([C@@H](COC)NC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)cc1 ZINC000455853853 822737465 /nfs/dbraw/zinc/73/74/65/822737465.db2.gz MNHFEEUYYZDPGH-YADHBBJMSA-N 1 0 397.519 4.143 20 0 GIADRO C[C@H](CN(C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)[C@@H](C)CO)c1ccccc1 ZINC000455854015 822737487 /nfs/dbraw/zinc/73/74/87/822737487.db2.gz MUQPDPLQXMSOMY-STSQHVNTSA-N 1 0 395.547 4.254 20 0 GIADRO CC(C)Oc1ccc([C@H](CNC(=O)Nc2scnc2C(C)C)[NH+](C)C)cc1 ZINC000455859900 822738552 /nfs/dbraw/zinc/73/85/52/822738552.db2.gz GUFBBKYLJLRZLN-KRWDZBQOSA-N 1 0 390.553 4.478 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)NCc3ccccc3OC(F)F)ccc21 ZINC000455860245 822738708 /nfs/dbraw/zinc/73/87/08/822738708.db2.gz JNHHZBWXEVLIFA-KRWDZBQOSA-N 1 0 375.419 4.159 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCCN(c4ccccc4F)CC3)ccc21 ZINC000455862437 822739089 /nfs/dbraw/zinc/73/90/89/822739089.db2.gz RQAWZPONSRMBDS-OAQYLSRUSA-N 1 0 396.510 4.119 20 0 GIADRO COCC[NH+]1CCC(NC(=O)c2cc(Cl)ccc2SC2CCCC2)CC1 ZINC000185121766 822739779 /nfs/dbraw/zinc/73/97/79/822739779.db2.gz XVEUQEUXVKOHLR-UHFFFAOYSA-N 1 0 396.984 4.215 20 0 GIADRO CC(C)c1ncsc1NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000455869071 822739882 /nfs/dbraw/zinc/73/98/82/822739882.db2.gz QOFRAPFUXCTWLK-ROUUACIJSA-N 1 0 384.549 4.252 20 0 GIADRO Cn1c2ccccc2nc1C(C)(C)NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455869874 822740188 /nfs/dbraw/zinc/74/01/88/822740188.db2.gz WRKOWEGBGFRMLC-LJQANCHMSA-N 1 0 391.519 4.179 20 0 GIADRO COc1ccc(C2(C[NH2+][C@@H](C)c3cc(Cl)ccc3O)CCOCC2)cc1 ZINC000185128234 822740431 /nfs/dbraw/zinc/74/04/31/822740431.db2.gz LVIHJVKJCUARGC-HNNXBMFYSA-N 1 0 375.896 4.453 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CC4(CCOCC4)c4ccccc43)ccc21 ZINC000455871711 822740518 /nfs/dbraw/zinc/74/05/18/822740518.db2.gz YKLBSPWBIWXZFO-NRFANRHFSA-N 1 0 391.515 4.336 20 0 GIADRO CCN(Cc1ccc2c(c1)OCO2)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455876345 822741037 /nfs/dbraw/zinc/74/10/37/822741037.db2.gz NUTWLUBSZGUMBB-LJQANCHMSA-N 1 0 381.476 4.018 20 0 GIADRO CN(C)c1ccncc1C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000185133473 822741162 /nfs/dbraw/zinc/74/11/62/822741162.db2.gz PZDXIDCUJGETNP-UHFFFAOYSA-N 1 0 397.526 4.349 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCc3csc(-c4ccco4)n3)ccc21 ZINC000455897961 822744572 /nfs/dbraw/zinc/74/45/72/822744572.db2.gz DZFDZRFLQSVTQN-QGZVFWFLSA-N 1 0 382.489 4.274 20 0 GIADRO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000051060421 822745349 /nfs/dbraw/zinc/74/53/49/822745349.db2.gz JEANEWLKNWUTKF-MRXNPFEDSA-N 1 0 375.900 4.123 20 0 GIADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000185185979 822747020 /nfs/dbraw/zinc/74/70/20/822747020.db2.gz IJGMVWIFHFVWFM-SJORKVTESA-N 1 0 380.454 4.121 20 0 GIADRO Cc1cccc(C)c1OC[C@H](O)C[N@@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132609 822747265 /nfs/dbraw/zinc/74/72/65/822747265.db2.gz TXDVBPJNMTXIED-WMTXJRDZSA-N 1 0 383.532 4.143 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N(Cc3ccccc3)C[C@H]3CCCO3)ccc21 ZINC000455912364 822747874 /nfs/dbraw/zinc/74/78/74/822747874.db2.gz JHQYBTREWWXPNC-FYYLOGMGSA-N 1 0 393.531 4.449 20 0 GIADRO CCOCc1cc(C[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)ccc1OC ZINC000051188272 822749943 /nfs/dbraw/zinc/74/99/43/822749943.db2.gz MLYUUGTXQIJCOX-MRXNPFEDSA-N 1 0 384.476 4.039 20 0 GIADRO O[C@H]1Cc2ccccc2[C@H]1[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000051188113 822749949 /nfs/dbraw/zinc/74/99/49/822749949.db2.gz NONOGOHFRPPJQO-AZGAKELHSA-N 1 0 395.506 4.346 20 0 GIADRO CC[C@@H](O)CN(Cc1ccccc1)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455929952 822751462 /nfs/dbraw/zinc/75/14/62/822751462.db2.gz OMNUSFHEKLPMKQ-IRLDBZIGSA-N 1 0 381.520 4.041 20 0 GIADRO CC(C)[C@@H]1C[C@@H]1C(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000185224352 822751472 /nfs/dbraw/zinc/75/14/72/822751472.db2.gz OYTWVGOGZNKHHO-OALUTQOASA-N 1 0 382.470 4.420 20 0 GIADRO CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000051237678 822751632 /nfs/dbraw/zinc/75/16/32/822751632.db2.gz CUKACADQMOWWDK-IRLDBZIGSA-N 1 0 381.520 4.380 20 0 GIADRO Cc1cc([C@@H]2CN(C(=O)Nc3ccc4c(c3)CC[C@@H]4[NH+](C)C)CCO2)ccc1F ZINC000455933195 822752289 /nfs/dbraw/zinc/75/22/89/822752289.db2.gz QJLPJOADSJVHDU-VXKWHMMOSA-N 1 0 397.494 4.288 20 0 GIADRO CN(CC[N@H+](C)C1CC1)C(=O)N[C@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000185231301 822752353 /nfs/dbraw/zinc/75/23/53/822752353.db2.gz GKHHJEDRZJJKNC-SFHVURJKSA-N 1 0 377.941 4.227 20 0 GIADRO COc1cc(C[N@H+](C[C@H](O)c2ccc(F)cc2F)C2CC2)ccc1OC(F)F ZINC000051262188 822752568 /nfs/dbraw/zinc/75/25/68/822752568.db2.gz PEIBSTWJQQYVNE-KRWDZBQOSA-N 1 0 399.384 4.273 20 0 GIADRO CCCC(=O)Nc1ccc(CNC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)cc1 ZINC000455936415 822752945 /nfs/dbraw/zinc/75/29/45/822752945.db2.gz RUCSZTKHXZIKOX-OAQYLSRUSA-N 1 0 394.519 4.296 20 0 GIADRO CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000051267734 822752955 /nfs/dbraw/zinc/75/29/55/822752955.db2.gz GRTKONWBYRBOAR-QUCCMNQESA-N 1 0 387.568 4.105 20 0 GIADRO CCCCCNC(=O)C1CC[NH+](C[C@H](C)Cc2ccc(OC)c(F)c2)CC1 ZINC000185238242 822753225 /nfs/dbraw/zinc/75/32/25/822753225.db2.gz IPSLEYJDTRZNTH-QGZVFWFLSA-N 1 0 378.532 4.031 20 0 GIADRO C[C@H](N(C)C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1)C1(C)CC1 ZINC000455941196 822754070 /nfs/dbraw/zinc/75/40/70/822754070.db2.gz JFFHHZULTZYDFN-AWEZNQCLSA-N 1 0 379.932 4.465 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)N2CC[C@H]3CCC[C@H]32)CC1 ZINC000455945449 822755417 /nfs/dbraw/zinc/75/54/17/822755417.db2.gz OIHQGVCOTFDWPG-RDTXWAMCSA-N 1 0 377.916 4.219 20 0 GIADRO COc1ccc(C[C@@H](C)NC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)cc1OC ZINC000455945533 822755426 /nfs/dbraw/zinc/75/54/26/822755426.db2.gz WEQBSALFOXRUAR-QRWLVFNGSA-N 1 0 397.519 4.005 20 0 GIADRO C[C@@H]1SCCN(C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)[C@H]1C ZINC000455947325 822756051 /nfs/dbraw/zinc/75/60/51/822756051.db2.gz RJSHLNFBKFQUJN-KBPBESRZSA-N 1 0 397.972 4.171 20 0 GIADRO C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N1CCCC1)c1ccc2ccccc2c1O ZINC000185260619 822756092 /nfs/dbraw/zinc/75/60/92/822756092.db2.gz KUFFDFMIBYHJIU-MBSDFSHPSA-N 1 0 388.511 4.430 20 0 GIADRO Cc1ccoc1CN(C)C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000455947324 822756126 /nfs/dbraw/zinc/75/61/26/822756126.db2.gz RJHNIPHOPMAQEM-UHFFFAOYSA-N 1 0 391.899 4.378 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(OCC2CC2)nc1)c1ccc(Br)cc1O ZINC000185262289 822756405 /nfs/dbraw/zinc/75/64/05/822756405.db2.gz JNUXJWMQGQQOEC-LBPRGKRZSA-N 1 0 377.282 4.189 20 0 GIADRO CC[C@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)c1cccc(Cl)c1F ZINC000185267967 822757093 /nfs/dbraw/zinc/75/70/93/822757093.db2.gz MBNGAGQOPXFYAR-KRWDZBQOSA-N 1 0 381.854 4.091 20 0 GIADRO COC(=O)c1ccc(OCC[NH2+][C@@H](c2ncc(C)s2)C2CC2)c(Cl)c1 ZINC000185276472 822758382 /nfs/dbraw/zinc/75/83/82/822758382.db2.gz MVSHDRRFCONQLI-MRXNPFEDSA-N 1 0 380.897 4.011 20 0 GIADRO O=C(c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)cc1)N1CCCCC1 ZINC000185281924 822759160 /nfs/dbraw/zinc/75/91/60/822759160.db2.gz CWIPBQJWAPGJPG-UHFFFAOYSA-N 1 0 387.867 4.164 20 0 GIADRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCCN(Cc3cccs3)C2)cc1Cl ZINC000185282308 822759236 /nfs/dbraw/zinc/75/92/36/822759236.db2.gz VJRKHIDVHVNFPU-OAHLLOKOSA-N 1 0 379.913 4.312 20 0 GIADRO CCSc1ccccc1[C@@H](C)[NH2+]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000185282803 822759367 /nfs/dbraw/zinc/75/93/67/822759367.db2.gz NUMOAFFUEUSOSR-OAHLLOKOSA-N 1 0 375.513 4.020 20 0 GIADRO CCSc1ccccc1[C@H](C)[NH2+]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000185282822 822759388 /nfs/dbraw/zinc/75/93/88/822759388.db2.gz NUMOAFFUEUSOSR-HNNXBMFYSA-N 1 0 375.513 4.020 20 0 GIADRO O=S(=O)(c1ccc(NCc2ccccc2C[NH+]2CCCCC2)cc1)C(F)F ZINC000051455333 822760815 /nfs/dbraw/zinc/76/08/15/822760815.db2.gz ASIVIDOQMNYVES-UHFFFAOYSA-N 1 0 394.487 4.281 20 0 GIADRO C[N@@H+](Cc1cnn(-c2ccccc2)c1)C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000051476272 822761714 /nfs/dbraw/zinc/76/17/14/822761714.db2.gz NVWGRZPEJGDWPY-LJQANCHMSA-N 1 0 375.394 4.057 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]C[C@@](C)(O)c2cccc(Cl)c2)cc1Cn1cccn1 ZINC000185307045 822763087 /nfs/dbraw/zinc/76/30/87/822763087.db2.gz AVFYPOLWZISMDX-OPAMFIHVSA-N 1 0 399.922 4.152 20 0 GIADRO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)C1=CC[C@H](C)CC1 ZINC000455994896 822763479 /nfs/dbraw/zinc/76/34/79/822763479.db2.gz LURKXVVKDAUALZ-UWJYYQICSA-N 1 0 378.520 4.323 20 0 GIADRO O=C(CC[NH+]1CCC([C@@H](O)c2ccccc2)CC1)N[C@@H]1CCCc2ccccc21 ZINC000051531649 822764646 /nfs/dbraw/zinc/76/46/46/822764646.db2.gz REIWJOKFTTUPMO-NOZRDPDXSA-N 1 0 392.543 4.016 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)NCc2ccc(OCc3ccccc3F)cc2)CC[N@@H+]1C ZINC000185317823 822765109 /nfs/dbraw/zinc/76/51/09/822765109.db2.gz VYOULKNBFOSECS-YLJYHZDGSA-N 1 0 399.510 4.029 20 0 GIADRO CC(C)[NH+]1CCC(N[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000174294297 822765255 /nfs/dbraw/zinc/76/52/55/822765255.db2.gz DZFDPKWYSGUCPQ-LBPRGKRZSA-N 1 0 391.865 4.148 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1oc(C)nc1C)c1ccc(C(F)(F)F)cc1 ZINC000174295387 822765558 /nfs/dbraw/zinc/76/55/58/822765558.db2.gz BGUOVUJOHHJHED-MRXNPFEDSA-N 1 0 383.414 4.123 20 0 GIADRO COc1cccc([C@@H](CNC(=O)Nc2cccc(CC(F)(F)F)c2)[NH+](C)C)c1 ZINC000174305889 822768113 /nfs/dbraw/zinc/76/81/13/822768113.db2.gz LXJZCYYHZGAUMR-GOSISDBHSA-N 1 0 395.425 4.224 20 0 GIADRO CC(=O)Nc1ccc(CC[NH2+][C@H](C)c2ccc(Br)cc2O)cc1 ZINC000185338369 822768165 /nfs/dbraw/zinc/76/81/65/822768165.db2.gz AXTFFKLISSJLNE-GFCCVEGCSA-N 1 0 377.282 4.006 20 0 GIADRO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)C1(C2CCC2)CCC1 ZINC000456029449 822768545 /nfs/dbraw/zinc/76/85/45/822768545.db2.gz JLYJAYWUMLUUOQ-QFIPXVFZSA-N 1 0 396.575 4.002 20 0 GIADRO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC(F)(F)F)cc2)c2ccc(F)cc2C1 ZINC000185350351 822769614 /nfs/dbraw/zinc/76/96/14/822769614.db2.gz GVWSZYMVRUTNBG-LJQANCHMSA-N 1 0 396.384 4.307 20 0 GIADRO CC(=O)N1CC[C@H]([NH2+]Cc2cnc(CC(C)C)s2)c2ccc(F)cc2C1 ZINC000185359138 822771051 /nfs/dbraw/zinc/77/10/51/822771051.db2.gz ZKKUGJXEGIOFRV-IBGZPJMESA-N 1 0 375.513 4.064 20 0 GIADRO O=C(C[N@@H+]1CCC[C@H]1c1cccs1)NCc1cccc(OCC(F)(F)F)c1 ZINC000051653504 822771509 /nfs/dbraw/zinc/77/15/09/822771509.db2.gz NOHOEGHRIOHMQT-INIZCTEOSA-N 1 0 398.450 4.143 20 0 GIADRO CC(=O)N1CC[C@H]([NH2+]Cc2cc(Br)cs2)c2ccc(F)cc2C1 ZINC000185361717 822771665 /nfs/dbraw/zinc/77/16/65/822771665.db2.gz GHFAKDSUFGTXHM-KRWDZBQOSA-N 1 0 397.313 4.233 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000185366351 822772795 /nfs/dbraw/zinc/77/27/95/822772795.db2.gz PZEVNGARHXTUPV-MRXNPFEDSA-N 1 0 386.565 4.224 20 0 GIADRO Cc1ccc(C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)c(C2CC2)n1 ZINC000456069971 822773994 /nfs/dbraw/zinc/77/39/94/822773994.db2.gz QQAWYNWDLIJLQM-SFHVURJKSA-N 1 0 391.437 4.319 20 0 GIADRO C[C@@H](NC(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccc(-c2ccncc2)cc1 ZINC000174339218 822774474 /nfs/dbraw/zinc/77/44/74/822774474.db2.gz WUZFJAASYHLVGN-LJQANCHMSA-N 1 0 392.547 4.327 20 0 GIADRO OCc1ccc(C[NH2+]Cc2ccc(OCCOc3ccc(Cl)cc3)cc2)o1 ZINC000174344571 822775667 /nfs/dbraw/zinc/77/56/67/822775667.db2.gz BANZQSBQUMIDLJ-UHFFFAOYSA-N 1 0 387.863 4.173 20 0 GIADRO C[C@H](CCNC(=O)N(C)C[C@H]1CCC[N@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000174361925 822777961 /nfs/dbraw/zinc/77/79/61/822777961.db2.gz VMWWHGMAZSRWCP-CVEARBPZSA-N 1 0 385.474 4.182 20 0 GIADRO C[NH+](C)CCn1ccc2ccc(NC(=O)C[C@H]3CCOc4ccccc43)cc21 ZINC000174370986 822779690 /nfs/dbraw/zinc/77/96/90/822779690.db2.gz UVAJSJJZVQBTCF-GOSISDBHSA-N 1 0 377.488 4.098 20 0 GIADRO C[NH+](C)CCn1ccc2ccc(NC(=O)c3cc(F)c(F)c(F)c3F)cc21 ZINC000174372276 822779915 /nfs/dbraw/zinc/77/99/15/822779915.db2.gz JTRUPYYOYOHXPW-UHFFFAOYSA-N 1 0 379.357 4.012 20 0 GIADRO CSc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cccn3)cc2)cc1 ZINC000174374102 822780070 /nfs/dbraw/zinc/78/00/70/822780070.db2.gz ILCLCGTWKZRDCZ-JKSUJKDBSA-N 1 0 380.517 4.272 20 0 GIADRO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1csc(Br)c1 ZINC000051855223 822780555 /nfs/dbraw/zinc/78/05/55/822780555.db2.gz WOUWXNBTCUWUKH-LBPRGKRZSA-N 1 0 377.311 4.284 20 0 GIADRO CSc1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(-n3cccn3)cc2)c1 ZINC000174377685 822780750 /nfs/dbraw/zinc/78/07/50/822780750.db2.gz RFEGLIZXYJNYCT-HOTGVXAUSA-N 1 0 380.517 4.272 20 0 GIADRO O[C@@H](C[NH2+]Cc1ccccc1N1CCOCC1)c1ccc(-c2ccccc2)cc1 ZINC000185423182 822781858 /nfs/dbraw/zinc/78/18/58/822781858.db2.gz LBZBJIFXPOTUGT-VWLOTQADSA-N 1 0 388.511 4.013 20 0 GIADRO CC[N@@H+](Cc1nccn1Cc1ccccc1)CC1CCN(c2ccccn2)CC1 ZINC000174390105 822782392 /nfs/dbraw/zinc/78/23/92/822782392.db2.gz BTKAHHBVGRIBCB-UHFFFAOYSA-N 1 0 389.547 4.065 20 0 GIADRO CCc1nc(C)c([C@H](C)N(C)C(=O)NC[C@H](c2ccco2)[NH+](CC)CC)s1 ZINC000174390582 822782549 /nfs/dbraw/zinc/78/25/49/822782549.db2.gz XXJSXSISIKDWOA-JKSUJKDBSA-N 1 0 392.569 4.392 20 0 GIADRO Fc1ccccc1COc1ccc(C[NH2+]Cc2c[nH]nc2-c2cccnc2)cc1 ZINC000185428017 822782647 /nfs/dbraw/zinc/78/26/47/822782647.db2.gz YEUKCBXIGHBFNB-UHFFFAOYSA-N 1 0 388.446 4.480 20 0 GIADRO Cc1cccc(C)c1NC(=O)CCC[NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000185434766 822783279 /nfs/dbraw/zinc/78/32/79/822783279.db2.gz NWLVYMFUHNABQD-HSZRJFAPSA-N 1 0 394.494 4.274 20 0 GIADRO CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)c3c(C)cccc3Cl)CC2)cc1 ZINC000456151446 822784464 /nfs/dbraw/zinc/78/44/64/822784464.db2.gz ATLDVQWLRWRRCS-UHFFFAOYSA-N 1 0 399.922 4.001 20 0 GIADRO CN(Cc1nnc(-c2ccccc2Cl)o1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174402461 822785042 /nfs/dbraw/zinc/78/50/42/822785042.db2.gz KBZBYGLGCKEKRK-SFHVURJKSA-N 1 0 396.922 4.344 20 0 GIADRO C[C@H](Cc1ccc(F)c(Br)c1)C(=O)NC(C)(C)CCC[NH+](C)C ZINC000456171450 822786043 /nfs/dbraw/zinc/78/60/43/822786043.db2.gz OMEPCFUDZBAQHK-CYBMUJFWSA-N 1 0 387.337 4.003 20 0 GIADRO C[C@@H](CC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)C(=O)c1cccc(F)c1 ZINC000174411635 822786682 /nfs/dbraw/zinc/78/66/82/822786682.db2.gz MZTHWKHKIPBBCW-OALUTQOASA-N 1 0 388.527 4.005 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)COc1cc(Cl)c(Cl)cc1Cl ZINC000456196053 822787540 /nfs/dbraw/zinc/78/75/40/822787540.db2.gz HQZQRWPIUOCFII-UHFFFAOYSA-N 1 0 381.731 4.262 20 0 GIADRO C[C@@H](c1ccsc1)N1CC[NH+](CCC(=O)Nc2ccccc2Cl)CC1 ZINC000185461013 822787053 /nfs/dbraw/zinc/78/70/53/822787053.db2.gz XAFYLUIRGWIJQZ-HNNXBMFYSA-N 1 0 377.941 4.109 20 0 GIADRO CSc1nc(C2CC2)nc(C)c1C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000174418883 822787436 /nfs/dbraw/zinc/78/74/36/822787436.db2.gz YNMLUXQKVANGJH-OAHLLOKOSA-N 1 0 398.576 4.025 20 0 GIADRO CC(C)Oc1ccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(Br)cc2O)cc1 ZINC000185470744 822788010 /nfs/dbraw/zinc/78/80/10/822788010.db2.gz XNGGXSJORYIIAY-DJJJIMSYSA-N 1 0 394.309 4.326 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)CCCOc1ccc(Cl)cc1Cl ZINC000456206362 822788089 /nfs/dbraw/zinc/78/80/89/822788089.db2.gz QTWAKVSVVKHPRO-UHFFFAOYSA-N 1 0 375.340 4.389 20 0 GIADRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccccc1Oc1cccnc1 ZINC000052026205 822788194 /nfs/dbraw/zinc/78/81/94/822788194.db2.gz PDIYGASHQRBAGF-JOCHJYFZSA-N 1 0 387.483 4.441 20 0 GIADRO OC1(c2ccccc2)CC[NH+](Cc2cc(Br)cc3cccnc32)CC1 ZINC000185477990 822788710 /nfs/dbraw/zinc/78/87/10/822788710.db2.gz HKRMTQPFQNHMQQ-UHFFFAOYSA-N 1 0 397.316 4.481 20 0 GIADRO CC(C)Oc1cccc([C@H](O)C[NH2+][C@@H](C)c2cc(Br)ccc2O)c1 ZINC000185478436 822788819 /nfs/dbraw/zinc/78/88/19/822788819.db2.gz AMUCNPWEAUVKAJ-ORAYPTAESA-N 1 0 394.309 4.326 20 0 GIADRO CC(C)Oc1cccc([C@@H](O)C[NH2+][C@H](C)c2ccc(Br)cc2O)c1 ZINC000185479266 822788979 /nfs/dbraw/zinc/78/89/79/822788979.db2.gz SKTVGHREPZFUAV-YJYMSZOUSA-N 1 0 394.309 4.326 20 0 GIADRO Cc1nc(-c2ccncc2)nc(N2CC[NH+]([C@H](C)c3ccsc3)CC2)c1C ZINC000185481394 822789132 /nfs/dbraw/zinc/78/91/32/822789132.db2.gz BFVBJCPLBVQVMO-QGZVFWFLSA-N 1 0 379.533 4.100 20 0 GIADRO Oc1cc(F)cc(C[NH2+]CC2(c3cccc(C(F)(F)F)c3)CCOCC2)c1 ZINC000185488789 822790013 /nfs/dbraw/zinc/79/00/13/822790013.db2.gz GYVRQUDRSGNIOG-UHFFFAOYSA-N 1 0 383.385 4.388 20 0 GIADRO CC(C)(C)[N@@H+]1CCCN(Cn2nc(Nc3cccc(F)c3)sc2=S)CC1 ZINC000052087222 822790191 /nfs/dbraw/zinc/79/01/91/822790191.db2.gz FTRSXYGZCKGZGJ-UHFFFAOYSA-N 1 0 395.573 4.320 20 0 GIADRO CC(C)NC(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)cc1 ZINC000456252498 822790222 /nfs/dbraw/zinc/79/02/22/822790222.db2.gz ALOCRIMVZUKELZ-HXUWFJFHSA-N 1 0 380.492 4.018 20 0 GIADRO COc1ccc2cc(C(=O)Nc3ccc4c(c3)CC[C@@H]4[NH+](C)C)c(C)nc2c1 ZINC000456253446 822790326 /nfs/dbraw/zinc/79/03/26/822790326.db2.gz AYMIKSSZQNMLMT-QFIPXVFZSA-N 1 0 375.472 4.353 20 0 GIADRO CC(C)Oc1ccc2ccccc2c1C[NH2+]Cc1cnc(N2CCOCC2)s1 ZINC000185493731 822790487 /nfs/dbraw/zinc/79/04/87/822790487.db2.gz JEQBJDNMCILIDV-UHFFFAOYSA-N 1 0 397.544 4.210 20 0 GIADRO C[N@@H+](CC(=O)N1N=C(c2cc3ccccc3o2)C[C@H]1c1ccco1)CC1CC1 ZINC000052128174 822790969 /nfs/dbraw/zinc/79/09/69/822790969.db2.gz ZXOREELZCIWBSU-SFHVURJKSA-N 1 0 377.444 4.045 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)[C@H](C)C1CCCCC1 ZINC000185500193 822791217 /nfs/dbraw/zinc/79/12/17/822791217.db2.gz WTJVINZVFGAULC-RBUKOAKNSA-N 1 0 399.579 4.058 20 0 GIADRO COc1ccc(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)cc1OC(F)F ZINC000456263762 822791511 /nfs/dbraw/zinc/79/15/11/822791511.db2.gz GXODYASLOIXQEU-MRXNPFEDSA-N 1 0 376.403 4.098 20 0 GIADRO CC1CCN(C(=O)C2CC[NH+](CCOc3ccc4ccccc4c3)CC2)CC1 ZINC000052157736 822791536 /nfs/dbraw/zinc/79/15/36/822791536.db2.gz AZNPEMZZERWNJT-UHFFFAOYSA-N 1 0 380.532 4.189 20 0 GIADRO COCCn1cc(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)c2ccccc21 ZINC000456266407 822791830 /nfs/dbraw/zinc/79/18/30/822791830.db2.gz IEQYRXZEDZCSRG-NRFANRHFSA-N 1 0 377.488 4.089 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)CCc3ncc(-c4ccccc4)o3)ccc21 ZINC000456266406 822791861 /nfs/dbraw/zinc/79/18/61/822791861.db2.gz IEQSMHOQVVAJRR-HXUWFJFHSA-N 1 0 375.472 4.462 20 0 GIADRO Cc1csc([C@H](NC(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)C2CC2)n1 ZINC000174453231 822791965 /nfs/dbraw/zinc/79/19/65/822791965.db2.gz ZUYAIZCELLYGBU-WOJBJXKFSA-N 1 0 398.576 4.347 20 0 GIADRO C/C=C/c1ccc(OCC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)c(OC)c1 ZINC000456270780 822792246 /nfs/dbraw/zinc/79/22/46/822792246.db2.gz WINNANBSGOTFEL-XJDXJNMNSA-N 1 0 380.488 4.295 20 0 GIADRO CN(C(=O)N[C@H](C1CCCC1)C(F)(F)F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000185519584 822792989 /nfs/dbraw/zinc/79/29/89/822792989.db2.gz XAAOSQWSFSHHHI-LJQANCHMSA-N 1 0 397.485 4.414 20 0 GIADRO Cc1cccn2cc(COc3ccc(C[NH2+]CC(C)(C)C[C@H](C)O)cc3)nc12 ZINC000174463839 822793705 /nfs/dbraw/zinc/79/37/05/822793705.db2.gz TVZKKBHUWANTDF-SFHVURJKSA-N 1 0 381.520 4.108 20 0 GIADRO Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000456291187 822794942 /nfs/dbraw/zinc/79/49/42/822794942.db2.gz YVLCZMAYIKDQFQ-OAQYLSRUSA-N 1 0 392.478 4.429 20 0 GIADRO COc1ccc(C[NH2+][C@H](C)[C@H]2COc3ccccc32)c(Br)c1OC ZINC000185560751 822796514 /nfs/dbraw/zinc/79/65/14/822796514.db2.gz IWIFYZKJIXGYGK-IUODEOHRSA-N 1 0 392.293 4.121 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1nc2c(s1)CCCC2 ZINC000174501305 822797516 /nfs/dbraw/zinc/79/75/16/822797516.db2.gz BABCIXMPABKLDW-KRWDZBQOSA-N 1 0 384.549 4.008 20 0 GIADRO CC[C@@H](C)[C@@H](C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)c1ccccc1 ZINC000174501995 822797626 /nfs/dbraw/zinc/79/76/26/822797626.db2.gz QZLULNPEEKEPKY-NTKDMRAZSA-N 1 0 394.559 4.089 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(COc3ccc4ccccc4c3)o2)C1 ZINC000174506199 822798252 /nfs/dbraw/zinc/79/82/52/822798252.db2.gz ITMKKYDNARHNDI-SFHVURJKSA-N 1 0 392.499 4.426 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc3c(c2)nc(C(F)(F)F)n3C(C)C)C1 ZINC000174514467 822799564 /nfs/dbraw/zinc/79/95/64/822799564.db2.gz DMHPBVXQXVKMDZ-AWEZNQCLSA-N 1 0 396.457 4.050 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Nc1cccc(Oc2ccccn2)c1)c1cccc(F)c1 ZINC000174517652 822799917 /nfs/dbraw/zinc/79/99/17/822799917.db2.gz RURZNJCSGQVFDM-FQEVSTJZSA-N 1 0 394.450 4.437 20 0 GIADRO c1cc(C[NH+]2CCC(Nc3ncnc4sc5c(c43)CCCC5)CC2)ccn1 ZINC000052447739 822800002 /nfs/dbraw/zinc/80/00/02/822800002.db2.gz TZJHUWZKKWTKOT-UHFFFAOYSA-N 1 0 379.533 4.042 20 0 GIADRO CC[NH+](CC)CCOc1ccc(CNc2ncnc3sccc32)cc1OC ZINC000052447991 822800073 /nfs/dbraw/zinc/80/00/73/822800073.db2.gz HQQYBGGONBWCKW-UHFFFAOYSA-N 1 0 386.521 4.033 20 0 GIADRO O=C([C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174522810 822800533 /nfs/dbraw/zinc/80/05/33/822800533.db2.gz HUXGBOWOXCGXFI-DJIMGWMZSA-N 1 0 381.347 4.431 20 0 GIADRO C[C@H]1CN(C(=O)c2cccn2Cc2cccs2)CC[N@H+](Cc2ccccc2)C1 ZINC000456348405 822800957 /nfs/dbraw/zinc/80/09/57/822800957.db2.gz VHAZEWOTTMVINJ-LJQANCHMSA-N 1 0 393.556 4.192 20 0 GIADRO O=C([C@@H]1C[C@H]1c1ccccc1C(F)(F)F)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174526194 822801067 /nfs/dbraw/zinc/80/10/67/822801067.db2.gz HETFDKSVPRSOLU-BPQIPLTHSA-N 1 0 380.454 4.143 20 0 GIADRO COc1cccc(C[NH+]2CCC(Nc3ccc([N+](=O)[O-])c4cnccc34)CC2)c1 ZINC000052486537 822801071 /nfs/dbraw/zinc/80/10/71/822801071.db2.gz GPJVBSZTNXWAJF-UHFFFAOYSA-N 1 0 392.459 4.228 20 0 GIADRO Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C[NH2+]C[C@@](C)(O)c1ccco1 ZINC000174526653 822801237 /nfs/dbraw/zinc/80/12/37/822801237.db2.gz DAAPQOXQDVUDLS-LJQANCHMSA-N 1 0 394.302 4.137 20 0 GIADRO C[C@H]1CN(C(=O)CCc2cnc3ccccc3c2)CC[N@H+](Cc2ccccc2)C1 ZINC000456350524 822801291 /nfs/dbraw/zinc/80/12/91/822801291.db2.gz WGVUNAMJQILJKX-HXUWFJFHSA-N 1 0 387.527 4.148 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2c(C)onc2-c2c(Cl)cccc2Cl)C1 ZINC000174528604 822801576 /nfs/dbraw/zinc/80/15/76/822801576.db2.gz GZCWCPQHWWEJBL-ZDUSSCGKSA-N 1 0 396.318 4.371 20 0 GIADRO C[C@@](O)(C[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccco1 ZINC000174529324 822801644 /nfs/dbraw/zinc/80/16/44/822801644.db2.gz UIUVSXFIHJSCKK-OAQYLSRUSA-N 1 0 384.863 4.183 20 0 GIADRO CC(C)(CNC(=O)N(CCc1ccccc1)Cc1cccnc1)[NH+]1CCCCC1 ZINC000052499199 822801786 /nfs/dbraw/zinc/80/17/86/822801786.db2.gz NYIMZKAIKCQWNS-UHFFFAOYSA-N 1 0 394.563 4.100 20 0 GIADRO Cc1cc(CSc2ccccc2C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)on1 ZINC000174531819 822802083 /nfs/dbraw/zinc/80/20/83/822802083.db2.gz IZOPAVIDAOIUOW-GOSISDBHSA-N 1 0 399.560 4.223 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cnn(-c3cccc(Cl)c3)c2C(C)C)C1 ZINC000174539588 822802832 /nfs/dbraw/zinc/80/28/32/822802832.db2.gz LWBRIFKQWIFXBR-INIZCTEOSA-N 1 0 388.943 4.063 20 0 GIADRO COc1cc(C[N@H+](C)CCC(=O)Nc2cc(Cl)ccc2Cl)ccc1O ZINC000174542097 822803053 /nfs/dbraw/zinc/80/30/53/822803053.db2.gz RRYAQZFFWFAWNN-UHFFFAOYSA-N 1 0 383.275 4.168 20 0 GIADRO CCOc1cc(C[NH2+][C@H](C)Cc2c(C)nn(C)c2C)ccc1OCC(F)(F)F ZINC000174543593 822803243 /nfs/dbraw/zinc/80/32/43/822803243.db2.gz CUDGQWTVFTXRCJ-CYBMUJFWSA-N 1 0 399.457 4.098 20 0 GIADRO O=C(c1csc(-c2ccccc2Cl)n1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000174545580 822803417 /nfs/dbraw/zinc/80/34/17/822803417.db2.gz GKAHHFBXNTVOCA-HNNXBMFYSA-N 1 0 389.952 4.412 20 0 GIADRO C[C@H]([NH2+]CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1)[C@H]1COc2ccccc21 ZINC000185625174 822803715 /nfs/dbraw/zinc/80/37/15/822803715.db2.gz JRDXKLFEWWBGHU-XJKSGUPXSA-N 1 0 393.314 4.106 20 0 GIADRO CC(C)n1cnnc1[C@@H]1CCC[N@H+](CCOc2cc(Cl)cc(Cl)c2)C1 ZINC000174552704 822804109 /nfs/dbraw/zinc/80/41/09/822804109.db2.gz WYOLRRVFSCZYDH-CQSZACIVSA-N 1 0 383.323 4.424 20 0 GIADRO CC(C)(C)n1nc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1C1CC1 ZINC000052590821 822804588 /nfs/dbraw/zinc/80/45/88/822804588.db2.gz LIUXMJLLGSTIFH-UHFFFAOYSA-N 1 0 380.536 4.041 20 0 GIADRO O=C(CCCCC(=O)c1ccccc1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000052590921 822804602 /nfs/dbraw/zinc/80/46/02/822804602.db2.gz NUFIEOLWPLNZAR-UHFFFAOYSA-N 1 0 378.516 4.342 20 0 GIADRO Cc1cc(NC(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)c(C)c(C)c1O ZINC000185634250 822804732 /nfs/dbraw/zinc/80/47/32/822804732.db2.gz UDNNFLLZLRBKJQ-UHFFFAOYSA-N 1 0 381.520 4.100 20 0 GIADRO COc1ccc(C[NH2+]C(C)(C)c2nc3ccccc3n2C)cc1OC(F)F ZINC000185639193 822805440 /nfs/dbraw/zinc/80/54/40/822805440.db2.gz GCKWPAPDWRZIPQ-UHFFFAOYSA-N 1 0 375.419 4.208 20 0 GIADRO CCOc1ccc(Oc2ccccc2NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)cc1 ZINC000174565986 822805706 /nfs/dbraw/zinc/80/57/06/822805706.db2.gz BFYFQJGCVRRITC-GOSISDBHSA-N 1 0 393.487 4.356 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@H](C)C(=O)Nc1cc(C)cc(C)c1 ZINC000185645990 822806245 /nfs/dbraw/zinc/80/62/45/822806245.db2.gz CZDPKAFBHKVTLN-DZGCQCFKSA-N 1 0 396.457 4.357 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(OC)cc2)cc1OCC ZINC000052659809 822806632 /nfs/dbraw/zinc/80/66/32/822806632.db2.gz QGXTWYOBSZHBFV-CVEARBPZSA-N 1 0 386.492 4.170 20 0 GIADRO COc1ccc([C@@H](CNC(=O)N(C)[C@@H](C)c2ccccc2)[NH+]2CCCC2)cc1 ZINC000052684905 822807267 /nfs/dbraw/zinc/80/72/67/822807267.db2.gz YFAAXANUAUUQPT-PGRDOPGGSA-N 1 0 381.520 4.235 20 0 GIADRO CCCOc1ccccc1NC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174579900 822807742 /nfs/dbraw/zinc/80/77/42/822807742.db2.gz WUEPWCGUGYXKLE-HXUWFJFHSA-N 1 0 381.520 4.461 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2OC(F)F)cc1F ZINC000052710598 822807958 /nfs/dbraw/zinc/80/79/58/822807958.db2.gz QLXOTCYSBVRSLU-NEPJUHHUSA-N 1 0 382.382 4.114 20 0 GIADRO CCOc1cccc2cc([C@H](C)[NH2+][C@@H](C)C(=O)Nc3ccc4c(c3)OCO4)oc21 ZINC000052712341 822808058 /nfs/dbraw/zinc/80/80/58/822808058.db2.gz BEPBUOJYQBKIPW-KBPBESRZSA-N 1 0 396.443 4.238 20 0 GIADRO C[C@H](N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(=O)Nc1cccc2ccccc21 ZINC000185678464 822809357 /nfs/dbraw/zinc/80/93/57/822809357.db2.gz OMLJSIFXKBKYCJ-CMKODMSKSA-N 1 0 379.548 4.409 20 0 GIADRO CC1(C(=O)N[C@H]2CCO[C@@H](c3cccs3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000456498637 822810471 /nfs/dbraw/zinc/81/04/71/822810471.db2.gz FVXDUUHFWWKXNM-VQTJNVASSA-N 1 0 398.572 4.387 20 0 GIADRO CCCc1ncc(CNC(=O)[C@H](c2cccc(C(F)(F)F)c2)[NH+](CC)CC)o1 ZINC000456506279 822811083 /nfs/dbraw/zinc/81/10/83/822811083.db2.gz QKXCDQFZVRTRAD-SFHVURJKSA-N 1 0 397.441 4.345 20 0 GIADRO COc1cccc([C@H]2C[C@H](NC(=O)C3(C)CC[NH+](Cc4ccccc4)CC3)C2)c1 ZINC000456517153 822812157 /nfs/dbraw/zinc/81/21/57/822812157.db2.gz UGDKNUDVOZPZHK-HZCBDIJESA-N 1 0 392.543 4.360 20 0 GIADRO C[C@H](N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(=O)Nc1cc(Cl)ccc1F ZINC000185707000 822812448 /nfs/dbraw/zinc/81/24/48/822812448.db2.gz JKHXHFWGBKRZJN-KKUMJFAQSA-N 1 0 381.923 4.049 20 0 GIADRO Cc1cc(C)c(NC(=O)CN[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(Cl)c1 ZINC000185710691 822812875 /nfs/dbraw/zinc/81/28/75/822812875.db2.gz HYFUIJISXNUJCA-IAGOWNOFSA-N 1 0 377.960 4.138 20 0 GIADRO CC(=O)c1ccc(NC(=O)CC[N@@H+](C)Cc2cc(Br)cs2)cc1 ZINC000052847938 822812883 /nfs/dbraw/zinc/81/28/83/822812883.db2.gz RAPJWUAIUNPFLC-UHFFFAOYSA-N 1 0 395.322 4.174 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)N[C@H]2CCO[C@@H](c3cccs3)C2)cc1)C1CC1 ZINC000456539190 822814106 /nfs/dbraw/zinc/81/41/06/822814106.db2.gz OFGNMGDBFOYYRM-AZUAARDMSA-N 1 0 384.545 4.383 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)N[C@H](c2ncc(C)s2)C2CC2)cc1 ZINC000174634533 822815377 /nfs/dbraw/zinc/81/53/77/822815377.db2.gz ZVRUBXVTMZKLOM-IBGZPJMESA-N 1 0 386.565 4.244 20 0 GIADRO Cc1ccc(Cl)cc1NC(=O)[C@H](C)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185736722 822816051 /nfs/dbraw/zinc/81/60/51/822816051.db2.gz JRBUJSPEGGUIOC-IXDOHACOSA-N 1 0 377.960 4.218 20 0 GIADRO Cc1nc(-c2cccc(Cl)c2)sc1C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000052951071 822816497 /nfs/dbraw/zinc/81/64/97/822816497.db2.gz QIWMYJGNBGSKSI-UHFFFAOYSA-N 1 0 377.941 4.375 20 0 GIADRO C[C@@H](NCc1cccc(C(=O)N2CCCCC2)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185749686 822817377 /nfs/dbraw/zinc/81/73/77/822817377.db2.gz VGRXEPAAUDGJHK-KNQAVFIVSA-N 1 0 383.580 4.055 20 0 GIADRO C[C@H](NCC(=O)Nc1cc(Cl)ccc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185751726 822817673 /nfs/dbraw/zinc/81/76/73/822817673.db2.gz PFBSRMFQWRTWGM-UONOGXRCSA-N 1 0 384.351 4.175 20 0 GIADRO C[C@@H](NCC(=O)Nc1cc(Cl)ccc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185751743 822817731 /nfs/dbraw/zinc/81/77/31/822817731.db2.gz PFBSRMFQWRTWGM-ZIAGYGMSSA-N 1 0 384.351 4.175 20 0 GIADRO CCC(CC)NC(=O)[C@@H](C)[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000052993754 822818087 /nfs/dbraw/zinc/81/80/87/822818087.db2.gz QUDVOOKJYANQLB-CYBMUJFWSA-N 1 0 377.916 4.354 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1cccc(-c2nnc(C)o2)c1 ZINC000174657616 822819361 /nfs/dbraw/zinc/81/93/61/822819361.db2.gz PYRXICMYCRBKCF-UHFFFAOYSA-N 1 0 394.475 4.018 20 0 GIADRO Cc1sc2nc([C@H](C)N[C@@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)nc(N)c2c1C ZINC000185768877 822819630 /nfs/dbraw/zinc/81/96/30/822819630.db2.gz ZSMHWRVMNRPNAV-OFQRWUPVSA-N 1 0 387.597 4.194 20 0 GIADRO Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2cc(F)c(F)c(F)c2)c(OCC[NH+](C)C)c1 ZINC000185772619 822819912 /nfs/dbraw/zinc/81/99/12/822819912.db2.gz RXSICUIELQHNJF-CABCVRRESA-N 1 0 392.421 4.095 20 0 GIADRO COc1ccc2[nH]cc(C3=CC[N@H+](CC(=O)N([C@@H](C)C4CC4)C4CC4)CC3)c2c1 ZINC000053075829 822820426 /nfs/dbraw/zinc/82/04/26/822820426.db2.gz AJLRZIUBBNNRGM-INIZCTEOSA-N 1 0 393.531 4.055 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000174665296 822820839 /nfs/dbraw/zinc/82/08/39/822820839.db2.gz SWARWSUQEIIBJE-FQEVSTJZSA-N 1 0 394.519 4.021 20 0 GIADRO C/C(=C\C(C)(C)C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C(F)(F)F ZINC000185795417 822821861 /nfs/dbraw/zinc/82/18/61/822821861.db2.gz KUVDOOFPQOPJGO-BUHFOSPRSA-N 1 0 383.458 4.388 20 0 GIADRO CC(C)c1noc(-c2ccnc(NC3CC[NH+](CCc4ccccc4)CC3)c2)n1 ZINC000174680178 822822440 /nfs/dbraw/zinc/82/24/40/822822440.db2.gz GAQDXMAPYXWFEA-UHFFFAOYSA-N 1 0 391.519 4.374 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)C[NH2+]C(C)(C)CC(C)(C)C)c(C(F)(F)F)c1 ZINC000053123788 822822784 /nfs/dbraw/zinc/82/27/84/822822784.db2.gz UIIIALJNHPQSKE-UHFFFAOYSA-N 1 0 387.446 4.407 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)c1ccc(-c2nc3ccccc3s2)o1 ZINC000456689231 822822830 /nfs/dbraw/zinc/82/28/30/822822830.db2.gz BEHZAMIYQTWFHC-UHFFFAOYSA-N 1 0 381.501 4.303 20 0 GIADRO Cc1c(C(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)oc2c1C(=O)CCC2 ZINC000053144199 822823419 /nfs/dbraw/zinc/82/34/19/822823419.db2.gz PGZPFXKSSBZOLC-INIZCTEOSA-N 1 0 394.515 4.269 20 0 GIADRO C[NH+](C)CCC1CCN(C(=O)CCSc2ccc(Br)cc2)CC1 ZINC000053146672 822823579 /nfs/dbraw/zinc/82/35/79/822823579.db2.gz QCGZKSIDVQYWNM-UHFFFAOYSA-N 1 0 399.398 4.122 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)N[C@H](c1nc(C)cs1)C1CC1)c1ccccc1 ZINC000174691315 822823955 /nfs/dbraw/zinc/82/39/55/822823955.db2.gz OKSWTOTXWNLQQG-MOPGFXCFSA-N 1 0 386.565 4.285 20 0 GIADRO O=C(CCC(=O)c1ccc(-c2ccccc2)cc1)NC1CC[NH+](C2CCC2)CC1 ZINC000456699406 822824290 /nfs/dbraw/zinc/82/42/90/822824290.db2.gz MXHLVLQLLDROCY-UHFFFAOYSA-N 1 0 390.527 4.450 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(Cl)c(Cl)c1 ZINC000185821232 822824469 /nfs/dbraw/zinc/82/44/69/822824469.db2.gz RNMDHHAIGVAGRT-CYBMUJFWSA-N 1 0 399.343 4.384 20 0 GIADRO Cc1onc(-c2cccnc2)c1C(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000456701163 822824546 /nfs/dbraw/zinc/82/45/46/822824546.db2.gz FXGKMHKMDQOXED-UHFFFAOYSA-N 1 0 384.524 4.018 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)NCCCOC2CCCCC2)[C@@H]1c1cccs1 ZINC000174698477 822824923 /nfs/dbraw/zinc/82/49/23/822824923.db2.gz XMDXUNRAQHOWLX-YLJYHZDGSA-N 1 0 393.597 4.170 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2cc(-c3cccnc3)on2)cc1 ZINC000053187588 822825296 /nfs/dbraw/zinc/82/52/96/822825296.db2.gz IGITYGUOBXGSJO-KRWDZBQOSA-N 1 0 390.487 4.041 20 0 GIADRO C[C@@H]([NH2+]Cc1csc(CC(=O)N(C)C)n1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000185833114 822825642 /nfs/dbraw/zinc/82/56/42/822825642.db2.gz OISBWFNSICYCAS-CHWSQXEVSA-N 1 0 399.482 4.074 20 0 GIADRO CCCc1noc(CCCC(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)n1 ZINC000053191160 822825756 /nfs/dbraw/zinc/82/57/56/822825756.db2.gz WIAAMUUOHSEVSZ-QGZVFWFLSA-N 1 0 384.524 4.215 20 0 GIADRO Cc1ccc(NC(=O)c2cccn2C2CCCC2)cc1NC(=O)CC[NH+](C)C ZINC000185849169 822827087 /nfs/dbraw/zinc/82/70/87/822827087.db2.gz WGDLBJQVWVZBOJ-UHFFFAOYSA-N 1 0 382.508 4.054 20 0 GIADRO CC(C)CN(C(=O)CCC(=O)c1ccc2c(c1)CCCC2)C1CC[NH+](C)CC1 ZINC000053231586 822827119 /nfs/dbraw/zinc/82/71/19/822827119.db2.gz ODZSUZUUBXJZDL-UHFFFAOYSA-N 1 0 384.564 4.107 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)NCC(C)(C)c2c(Cl)cccc2Cl)CC[N@@H+]1C ZINC000174732688 822829937 /nfs/dbraw/zinc/82/99/37/822829937.db2.gz YJUXJBHGMNYAAO-KBPBESRZSA-N 1 0 386.367 4.395 20 0 GIADRO CCO[C@@H](CC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1)C(C)C ZINC000456789702 822831058 /nfs/dbraw/zinc/83/10/58/822831058.db2.gz JWKLTHZUMAEGPR-IBGZPJMESA-N 1 0 382.932 4.203 20 0 GIADRO CCO[C@H](CC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1)C(C)C ZINC000456789703 822831273 /nfs/dbraw/zinc/83/12/73/822831273.db2.gz JWKLTHZUMAEGPR-LJQANCHMSA-N 1 0 382.932 4.203 20 0 GIADRO CC[C@H](NC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1)c1nc(C(F)(F)F)cs1 ZINC000174744204 822831323 /nfs/dbraw/zinc/83/13/23/822831323.db2.gz DPCRUOBRSGTFLI-STQMWFEESA-N 1 0 392.491 4.033 20 0 GIADRO CC[NH+](CC)[C@H](C(=O)N[C@H](C)c1nc(-c2cccc(F)c2)no1)c1ccccc1 ZINC000174746528 822831601 /nfs/dbraw/zinc/83/16/01/822831601.db2.gz JWSKXFDRUHEJJW-BEFAXECRSA-N 1 0 396.466 4.136 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)c2ccc(F)c(F)c2F)CC1 ZINC000456794034 822831670 /nfs/dbraw/zinc/83/16/70/822831670.db2.gz QWYRCNXMBDWVTC-UHFFFAOYSA-N 1 0 398.812 4.483 20 0 GIADRO COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)[N@H+](C)CCC(C)C)cc1 ZINC000053363902 822831843 /nfs/dbraw/zinc/83/18/43/822831843.db2.gz WLCMTPWXBXDYAX-KRWDZBQOSA-N 1 0 397.519 4.252 20 0 GIADRO CSc1ccc(C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)o1 ZINC000456798950 822832208 /nfs/dbraw/zinc/83/22/08/822832208.db2.gz ZSUQVMIBGFVNCC-UHFFFAOYSA-N 1 0 380.897 4.380 20 0 GIADRO C[N@@H+]1CC[C@@H](CNC(=O)N2CCCC3(CC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000185910944 822832549 /nfs/dbraw/zinc/83/25/49/822832549.db2.gz CEVUOBNWUKRKBQ-YJBOKZPZSA-N 1 0 379.907 4.058 20 0 GIADRO COc1cc(C[N@H+](C)Cc2cc3c(c(Cl)c2)OCO3)ccc1OC(F)F ZINC000053403420 822833215 /nfs/dbraw/zinc/83/32/15/822833215.db2.gz GABKIOSZELSCGB-UHFFFAOYSA-N 1 0 385.794 4.311 20 0 GIADRO C[C@H]([NH2+]C(C)(C)CNC(=O)c1ccc(-c2cncnc2)cc1F)c1ccccc1 ZINC000185917926 822833292 /nfs/dbraw/zinc/83/32/92/822833292.db2.gz ZFVKKHKZKGNWLJ-INIZCTEOSA-N 1 0 392.478 4.142 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)Cc2ncc(-c3ccccc3Br)o2)[C@H](C)C1 ZINC000174775249 822835485 /nfs/dbraw/zinc/83/54/85/822835485.db2.gz IQGZKTSUTIHYJD-PBHICJAKSA-N 1 0 392.341 4.266 20 0 GIADRO Cc1cc(NC(=O)C2(c3ccc(F)cc3)CCCC2)ccc1N1CC[NH+](C)CC1 ZINC000053473978 822836722 /nfs/dbraw/zinc/83/67/22/822836722.db2.gz VWXMDTZBAYMGCV-UHFFFAOYSA-N 1 0 395.522 4.336 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)C[NH2+][C@@H](C)C2(c3ccccc3)CCCC2)cc1 ZINC000185956361 822836921 /nfs/dbraw/zinc/83/69/21/822836921.db2.gz JOEMLRNRJDCZHI-KRWDZBQOSA-N 1 0 379.504 4.074 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)Nc1cccc(-c2cc[nH]n2)c1 ZINC000185957339 822837119 /nfs/dbraw/zinc/83/71/19/822837119.db2.gz MRSLSAGAKZPPMB-IBGZPJMESA-N 1 0 379.464 4.018 20 0 GIADRO CCc1nc(C)c([C@H](C)N(C)C(=O)NCCC[N@H+](C)C2CCCCC2)s1 ZINC000174792934 822837590 /nfs/dbraw/zinc/83/75/90/822837590.db2.gz KBRSLODIUCEHAI-INIZCTEOSA-N 1 0 380.602 4.371 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000174797288 822838400 /nfs/dbraw/zinc/83/84/00/822838400.db2.gz JZAYLSPPQAMLHO-PKOBYXMFSA-N 1 0 396.560 4.144 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)Nc2cccc(-c3cc[nH]n3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000185965324 822838540 /nfs/dbraw/zinc/83/85/40/822838540.db2.gz FXRHCJDQBDHIAZ-DYESRHJHSA-N 1 0 389.503 4.251 20 0 GIADRO COc1ccc([C@H](C)NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1F ZINC000053524263 822838684 /nfs/dbraw/zinc/83/86/84/822838684.db2.gz NUWVCMCZSNUURW-YJBOKZPZSA-N 1 0 389.471 4.015 20 0 GIADRO CC(C)CN(C(=S)Nc1ccc(OC(F)(F)F)cc1)C1CC[NH+](C)CC1 ZINC000053525425 822838875 /nfs/dbraw/zinc/83/88/75/822838875.db2.gz RXLPOICCCDBJFK-UHFFFAOYSA-N 1 0 389.487 4.334 20 0 GIADRO CC[C@@H]([NH2+]CCC(=O)Nc1ccc(OC)cc1)c1nc(C(F)(F)F)cs1 ZINC000185970483 822839315 /nfs/dbraw/zinc/83/93/15/822839315.db2.gz PRDIWUMUOAGAFK-CYBMUJFWSA-N 1 0 387.427 4.240 20 0 GIADRO CC(C)CC(=O)Nc1ccc(NC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)cc1 ZINC000174804741 822839611 /nfs/dbraw/zinc/83/96/11/822839611.db2.gz SMJFVWCERARXBL-HXUWFJFHSA-N 1 0 386.540 4.057 20 0 GIADRO CC[C@H]([NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1nc(C(F)(F)F)cs1 ZINC000185977004 822840067 /nfs/dbraw/zinc/84/00/67/822840067.db2.gz VPDLQKGBDAAXNL-NEPJUHHUSA-N 1 0 393.475 4.460 20 0 GIADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N1CC=C(c2ccc(O)cc2)CC1 ZINC000053547837 822840423 /nfs/dbraw/zinc/84/04/23/822840423.db2.gz ZAARRCNGOSHSRS-HXUWFJFHSA-N 1 0 397.544 4.090 20 0 GIADRO CCOc1ccc(CN(C)C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000053548276 822840472 /nfs/dbraw/zinc/84/04/72/822840472.db2.gz HAZBTMSYGYFVBM-LJQANCHMSA-N 1 0 387.549 4.125 20 0 GIADRO COc1ccc([C@H](C)NC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1F ZINC000053548479 822840607 /nfs/dbraw/zinc/84/06/07/822840607.db2.gz OHHWBIKUVIHGRE-YOEHRIQHSA-N 1 0 391.512 4.093 20 0 GIADRO COC(=O)c1sc(NCc2ccc(C[NH+]3CCCCC3)cc2)nc1Cl ZINC000053553469 822840789 /nfs/dbraw/zinc/84/07/89/822840789.db2.gz OOIYPJBVCLYFCW-UHFFFAOYSA-N 1 0 379.913 4.181 20 0 GIADRO CCCn1ccc2ccc(NC(=O)N3CCC(OCC[NH+]4CCCC4)CC3)cc21 ZINC000174824477 822842300 /nfs/dbraw/zinc/84/23/00/822842300.db2.gz RJFUYWFDMZWEJD-UHFFFAOYSA-N 1 0 398.551 4.160 20 0 GIADRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N(Cc1ccco1)Cc1cccs1 ZINC000053602814 822842355 /nfs/dbraw/zinc/84/23/55/822842355.db2.gz DWSLKEOCDFXYOV-LJQANCHMSA-N 1 0 395.528 4.327 20 0 GIADRO C[N@H+](Cc1ncc(-c2cccs2)o1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000174828195 822842606 /nfs/dbraw/zinc/84/26/06/822842606.db2.gz JFDPVHRQKXYQEO-UHFFFAOYSA-N 1 0 377.510 4.234 20 0 GIADRO Cc1nn(C)c(C)c1C[C@@H](C)c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000174835505 822843962 /nfs/dbraw/zinc/84/39/62/822843962.db2.gz GKPUSMLTGYTFRG-MRXNPFEDSA-N 1 0 393.535 4.419 20 0 GIADRO CCSc1ccccc1[C@@H](C)[NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1 ZINC000186044210 822846687 /nfs/dbraw/zinc/84/66/87/822846687.db2.gz SHTMELLDNHWMGI-MRXNPFEDSA-N 1 0 390.574 4.189 20 0 GIADRO CC[C@@H](NC(=O)[C@H](c1ccccc1)[N@H+](C)CC)c1nc(C(F)(F)F)cs1 ZINC000174856411 822847137 /nfs/dbraw/zinc/84/71/37/822847137.db2.gz ROEBNLADVDDCSY-HIFRSBDPSA-N 1 0 385.455 4.422 20 0 GIADRO Fc1ccc(CC[NH+]2CCC(NCc3ncc(-c4ccccc4)cn3)CC2)cc1 ZINC000186054564 822847638 /nfs/dbraw/zinc/84/76/38/822847638.db2.gz ZQMLNJIPGDCOEZ-UHFFFAOYSA-N 1 0 390.506 4.079 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2nnc(-c3cc(C)cc(C)c3)s2)C1 ZINC000186057136 822847943 /nfs/dbraw/zinc/84/79/43/822847943.db2.gz GVBQLARCCOTLCS-MRXNPFEDSA-N 1 0 387.553 4.018 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2nnc(-c3cc(C)cc(C)c3)s2)C1 ZINC000186057105 822847984 /nfs/dbraw/zinc/84/79/84/822847984.db2.gz GVBQLARCCOTLCS-INIZCTEOSA-N 1 0 387.553 4.018 20 0 GIADRO C[C@H](C(=O)NC(C)(C)C[NH+]1CCCC1)c1cccc(C(=O)c2ccccc2)c1 ZINC000457060752 822848800 /nfs/dbraw/zinc/84/88/00/822848800.db2.gz XWINRQBSKBVKIF-SFHVURJKSA-N 1 0 378.516 4.012 20 0 GIADRO CCOc1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c2ncccc12 ZINC000186070393 822849181 /nfs/dbraw/zinc/84/91/81/822849181.db2.gz XPBRQFQBNJGVNA-SJORKVTESA-N 1 0 382.508 4.113 20 0 GIADRO Cc1cc(Cl)c(C(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)cc1C ZINC000457063984 822849401 /nfs/dbraw/zinc/84/94/01/822849401.db2.gz GCOCVFRIQNDFRR-UHFFFAOYSA-N 1 0 376.850 4.446 20 0 GIADRO COc1ccc(C(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)cc1C1CC1 ZINC000457067379 822849697 /nfs/dbraw/zinc/84/96/97/822849697.db2.gz KWAQUACGGIYFGO-UHFFFAOYSA-N 1 0 384.442 4.061 20 0 GIADRO Cc1cccc(Cl)c1CC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457074265 822850220 /nfs/dbraw/zinc/85/02/20/822850220.db2.gz VKLXPROXZUJLBF-UHFFFAOYSA-N 1 0 376.850 4.066 20 0 GIADRO CN(C(=O)c1ccn(Cc2ccccc2)c1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457076601 822850584 /nfs/dbraw/zinc/85/05/84/822850584.db2.gz YPOBOQRCWOMHHB-UHFFFAOYSA-N 1 0 393.453 4.025 20 0 GIADRO Cc1[nH]c2ccc(C(=O)N(C)C3CC[NH+](CCC(F)(F)F)CC3)cc2c1C ZINC000457080085 822850989 /nfs/dbraw/zinc/85/09/89/822850989.db2.gz FXQOCVJPBISYBK-UHFFFAOYSA-N 1 0 381.442 4.274 20 0 GIADRO CN(C(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457082769 822851116 /nfs/dbraw/zinc/85/11/16/822851116.db2.gz JDXGGOPCKFJKMR-KGLIPLIRSA-N 1 0 388.396 4.230 20 0 GIADRO Cc1cnc([C@@H](NC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)C2CC2)s1 ZINC000174889165 822851351 /nfs/dbraw/zinc/85/13/51/822851351.db2.gz CQUHJSWKIOGIMA-QAPCUYQASA-N 1 0 386.565 4.331 20 0 GIADRO Cc1c(C(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)cnc2ccccc12 ZINC000457089276 822852113 /nfs/dbraw/zinc/85/21/13/822852113.db2.gz SWRBYUSRRRTSOI-UHFFFAOYSA-N 1 0 379.426 4.032 20 0 GIADRO Cc1ccc(SCC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)c(C)c1 ZINC000457090002 822852328 /nfs/dbraw/zinc/85/23/28/822852328.db2.gz UQXORFMOAOAIAQ-UHFFFAOYSA-N 1 0 388.499 4.271 20 0 GIADRO C[C@H](C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)c1cc2ccccc2o1 ZINC000457089947 822852363 /nfs/dbraw/zinc/85/23/63/822852363.db2.gz UFKZMVWOPPRVQA-AWEZNQCLSA-N 1 0 382.426 4.412 20 0 GIADRO CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457089946 822852381 /nfs/dbraw/zinc/85/23/81/822852381.db2.gz UFJQLTUUZOYGPT-SZMVWBNQSA-N 1 0 392.506 4.236 20 0 GIADRO CN(C(=O)c1cc(Cl)cc2cccnc21)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457090760 822852504 /nfs/dbraw/zinc/85/25/04/822852504.db2.gz VAWNYVIBZCVQGX-UHFFFAOYSA-N 1 0 399.844 4.377 20 0 GIADRO Cc1cc(NC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)ccc1C(F)(F)F ZINC000174899692 822852552 /nfs/dbraw/zinc/85/25/52/822852552.db2.gz RLAYXRMWYAZMIT-UHFFFAOYSA-N 1 0 399.457 4.123 20 0 GIADRO CN(C(=O)c1ccc(Cl)c(Cl)c1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457092934 822852657 /nfs/dbraw/zinc/85/26/57/822852657.db2.gz XQXPCIYKZLOZHI-UHFFFAOYSA-N 1 0 383.241 4.482 20 0 GIADRO CN(C(=O)c1cncc(-c2ccccc2)c1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457093612 822852803 /nfs/dbraw/zinc/85/28/03/822852803.db2.gz YHPBOGSSOHENNJ-UHFFFAOYSA-N 1 0 391.437 4.237 20 0 GIADRO Cc1nc(C(C)(C)C)sc1C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457093666 822852881 /nfs/dbraw/zinc/85/28/81/822852881.db2.gz YOYVSBCZAKSJII-UHFFFAOYSA-N 1 0 391.503 4.238 20 0 GIADRO CC(C)[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)Nc1cccc(Oc3ccccn3)c1)C2 ZINC000174901741 822853090 /nfs/dbraw/zinc/85/30/90/822853090.db2.gz DLKMTEYHCKPNNZ-RBUKOAKNSA-N 1 0 380.492 4.353 20 0 GIADRO Cc1cc(C)c(NC(=O)C[N@H+](CCCO)[C@H]2CCCc3ccccc32)c(C)c1 ZINC000174904786 822853562 /nfs/dbraw/zinc/85/35/62/822853562.db2.gz SDQMBEZPQJPXAV-QFIPXVFZSA-N 1 0 380.532 4.312 20 0 GIADRO C[C@@H]([NH2+][C@@H](CO)c1cccc(Br)c1)c1cc2c(cc1O)CCCC2 ZINC000186121897 822853621 /nfs/dbraw/zinc/85/36/21/822853621.db2.gz SWPMGGDEWCILEX-YJYMSZOUSA-N 1 0 390.321 4.418 20 0 GIADRO Cc1ccc(C)c2c1CCC[C@H]2[NH2+]Cc1cccc(C(=O)NC[C@H]2CCCO2)c1 ZINC000186126020 822853857 /nfs/dbraw/zinc/85/38/57/822853857.db2.gz OLNVLQHEBDEPQW-FYYLOGMGSA-N 1 0 392.543 4.379 20 0 GIADRO Cc1nc(CSc2ccc(C(=O)N(C)[C@@H]3CC[N@@H+](C(C)C)C3)cc2)cs1 ZINC000457109467 822853975 /nfs/dbraw/zinc/85/39/75/822853975.db2.gz GXMWHSSWFPOYHI-GOSISDBHSA-N 1 0 389.590 4.299 20 0 GIADRO C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000186127616 822854077 /nfs/dbraw/zinc/85/40/77/822854077.db2.gz ICGXDXCVHLJVMJ-VUCTXSBTSA-N 1 0 387.351 4.118 20 0 GIADRO O=C(C1CCCCC1)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000457113066 822854466 /nfs/dbraw/zinc/85/44/66/822854466.db2.gz JEZRIEPVCUJVNW-UHFFFAOYSA-N 1 0 389.971 4.033 20 0 GIADRO Cc1csc([C@H](NC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)C2CC2)n1 ZINC000174911353 822854533 /nfs/dbraw/zinc/85/45/33/822854533.db2.gz ZLPSQTZSYDULEL-RBUKOAKNSA-N 1 0 384.549 4.039 20 0 GIADRO CCC1(C(=O)N2CCC([NH+]3CCN(c4cccc(Cl)c4)CC3)CC2)CCC1 ZINC000457114396 822854606 /nfs/dbraw/zinc/85/46/06/822854606.db2.gz KVNPSQFHCNLPSI-UHFFFAOYSA-N 1 0 389.971 4.033 20 0 GIADRO Cc1[nH]c2ccccc2c1CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000053968308 822855005 /nfs/dbraw/zinc/85/50/05/822855005.db2.gz NEXGYTONZUSYIV-UHFFFAOYSA-N 1 0 375.516 4.108 20 0 GIADRO CC(C)(C)OC(=O)Cc1ccccc1NC(=O)NCCC[NH2+]C1CCCCC1 ZINC000174913738 822855075 /nfs/dbraw/zinc/85/50/75/822855075.db2.gz NTBLOZBMNRUOES-UHFFFAOYSA-N 1 0 389.540 4.005 20 0 GIADRO C[C@H]([NH2+]CCc1nnc(-c2ccccc2)o1)c1cc(Br)ccc1O ZINC000186148793 822855771 /nfs/dbraw/zinc/85/57/71/822855771.db2.gz OPXDHFRLUNPPIX-LBPRGKRZSA-N 1 0 388.265 4.098 20 0 GIADRO CC(C)[C@H](C)CC(=O)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000457124173 822855731 /nfs/dbraw/zinc/85/57/31/822855731.db2.gz XIOJKJYPVZZBFY-GOSISDBHSA-N 1 0 391.987 4.135 20 0 GIADRO O=C(CCc1ccc(-c2ccccc2)o1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000053990119 822855756 /nfs/dbraw/zinc/85/57/56/822855756.db2.gz BQPLRCFZWRQRHC-UHFFFAOYSA-N 1 0 389.499 4.055 20 0 GIADRO O=C(CC(c1ccccc1)c1ccccc1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000053990304 822855812 /nfs/dbraw/zinc/85/58/12/822855812.db2.gz RJAPRNYZVCITTO-UHFFFAOYSA-N 1 0 399.538 4.384 20 0 GIADRO Cc1onc(-c2ccccc2)c1C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174917794 822855918 /nfs/dbraw/zinc/85/59/18/822855918.db2.gz LDGFQLLFYHKUJC-FQEVSTJZSA-N 1 0 389.499 4.244 20 0 GIADRO CC(C)(C)c1ccc(CCC(=O)NC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000053990451 822855949 /nfs/dbraw/zinc/85/59/49/822855949.db2.gz WHYMUJTUSMGADT-UHFFFAOYSA-N 1 0 379.548 4.093 20 0 GIADRO CC(C)n1c2ccc(C(=O)N(C)[C@@H]3CC[N@@H+](C(C)C)C3)cc2nc1C(F)(F)F ZINC000457128117 822856024 /nfs/dbraw/zinc/85/60/24/822856024.db2.gz SAXOFSABIDLNBS-OAHLLOKOSA-N 1 0 396.457 4.191 20 0 GIADRO Cc1cc(O[C@H](C)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)ccc1C(C)C ZINC000053991435 822856081 /nfs/dbraw/zinc/85/60/81/822856081.db2.gz UILVNBCUYRGABX-LJQANCHMSA-N 1 0 395.547 4.062 20 0 GIADRO C[NH+](C)Cc1ccccc1CNC(=O)Nc1ccc(Br)cc1Cl ZINC000053996902 822856153 /nfs/dbraw/zinc/85/61/53/822856153.db2.gz QHCUSIDLZFHJFB-UHFFFAOYSA-N 1 0 396.716 4.486 20 0 GIADRO COc1cccc(C([NH2+]Cc2ccc3c(c2)OCCO3)c2cccc(OC)c2)c1 ZINC000174927578 822857223 /nfs/dbraw/zinc/85/72/23/822857223.db2.gz IXDOXZIEHPLEMW-UHFFFAOYSA-N 1 0 391.467 4.354 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ncoc1-c1ccc(F)cc1 ZINC000186166419 822857459 /nfs/dbraw/zinc/85/74/59/822857459.db2.gz GGLOLJFYIINPQH-SFHVURJKSA-N 1 0 393.462 4.075 20 0 GIADRO CSCCCCCNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000186177517 822858375 /nfs/dbraw/zinc/85/83/75/822858375.db2.gz IMSMFIBAIXZUBO-AZUAARDMSA-N 1 0 377.598 4.214 20 0 GIADRO CCOc1ccc(C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1OCC ZINC000174943626 822859187 /nfs/dbraw/zinc/85/91/87/822859187.db2.gz KYKLITRUODPRFF-HXUWFJFHSA-N 1 0 396.531 4.078 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCCc2occc21 ZINC000174944013 822859327 /nfs/dbraw/zinc/85/93/27/822859327.db2.gz XBTYOCRXPURWHZ-PZJWPPBQSA-N 1 0 381.520 4.211 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1(c2cccc(Cl)c2)CC1 ZINC000174946926 822859556 /nfs/dbraw/zinc/85/95/56/822859556.db2.gz XIVHRIROPJSNPT-IBGZPJMESA-N 1 0 382.935 4.352 20 0 GIADRO COc1ccc(C)cc1[C@@H](C)NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000054029922 822859555 /nfs/dbraw/zinc/85/95/55/822859555.db2.gz PIKLOJHJKJFQMG-GOSISDBHSA-N 1 0 381.520 4.028 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)c2ccc(NC(=O)[C@H]3C[C@@H]3C)cc2)c1 ZINC000054032618 822859776 /nfs/dbraw/zinc/85/97/76/822859776.db2.gz MCBUBGNXCRVOHV-JTSKRJEESA-N 1 0 393.531 4.053 20 0 GIADRO O=C([C@@H]1CC1(F)F)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457195251 822860042 /nfs/dbraw/zinc/86/00/42/822860042.db2.gz OFMVNCSBZYHRDI-PMACEKPBSA-N 1 0 376.491 4.325 20 0 GIADRO O=C([C@@H]1CCCOC1)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457195475 822860060 /nfs/dbraw/zinc/86/00/60/822860060.db2.gz PBCAACSRYGRQBQ-DHIUTWEWSA-N 1 0 384.564 4.096 20 0 GIADRO O=C([C@H]1CCCOC1)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457195481 822860092 /nfs/dbraw/zinc/86/00/92/822860092.db2.gz PBCAACSRYGRQBQ-GOTSBHOMSA-N 1 0 384.564 4.096 20 0 GIADRO C[C@@H]([NH2+]Cc1cccnc1OCC(F)F)c1cc(Br)ccc1O ZINC000186199008 822860143 /nfs/dbraw/zinc/86/01/43/822860143.db2.gz AQERRDCCDYNHQW-SNVBAGLBSA-N 1 0 387.224 4.044 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCC(=O)c1ccc(Cl)cc1 ZINC000174952178 822860244 /nfs/dbraw/zinc/86/02/44/822860244.db2.gz XEIHFBHVUACNIY-IBGZPJMESA-N 1 0 398.934 4.283 20 0 GIADRO Cc1cc(C(=O)N2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)n(C)n1 ZINC000457198110 822860317 /nfs/dbraw/zinc/86/03/17/822860317.db2.gz XTZTVHBDQBAPSB-JOCHJYFZSA-N 1 0 394.563 4.026 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN([C@H](C(=O)Nc2ccc(OC)cc2)c2ccccc2)C1 ZINC000174952243 822860394 /nfs/dbraw/zinc/86/03/94/822860394.db2.gz DFLHIGZYDSGCTK-XXBNENTESA-N 1 0 395.547 4.039 20 0 GIADRO Cc1ccc2[nH]c(C(=O)N(C)C[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc2c1C ZINC000174956813 822860836 /nfs/dbraw/zinc/86/08/36/822860836.db2.gz NDQGLJJBQGIJGD-FQEVSTJZSA-N 1 0 375.516 4.379 20 0 GIADRO Cc1ccc(NC(=O)[C@@H](C)CCc2cccc(F)c2)cc1NC(=O)CC[NH+](C)C ZINC000186207051 822861056 /nfs/dbraw/zinc/86/10/56/822861056.db2.gz QFBOKFNXIQXBCB-KRWDZBQOSA-N 1 0 399.510 4.232 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN([C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000174960176 822861585 /nfs/dbraw/zinc/86/15/85/822861585.db2.gz CNOPCGYMLLNEST-GJZGRUSLSA-N 1 0 396.457 4.480 20 0 GIADRO COc1ccccc1C[C@@H](C)CC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174963055 822861983 /nfs/dbraw/zinc/86/19/83/822861983.db2.gz LNWGJCIYSUFNKT-IFMALSPDSA-N 1 0 394.559 4.244 20 0 GIADRO CC(C)c1ccc2c(c1)[C@@H](NC(=O)NC1CC[NH+](Cc3ccccn3)CC1)CC2 ZINC000186222994 822862232 /nfs/dbraw/zinc/86/22/32/822862232.db2.gz UTBHIAKVQWBSBL-QHCPKHFHSA-N 1 0 392.547 4.156 20 0 GIADRO Cc1ccc(NC(=O)C(C)(C)Cc2ccccc2)cc1NC(=O)CC[NH+](C)C ZINC000186223870 822862359 /nfs/dbraw/zinc/86/23/59/822862359.db2.gz WFFHUMMEVMNANY-UHFFFAOYSA-N 1 0 381.520 4.093 20 0 GIADRO COc1cccc(F)c1NC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000186224133 822862369 /nfs/dbraw/zinc/86/23/69/822862369.db2.gz VDWQJIZXMUKOCN-MRXNPFEDSA-N 1 0 377.504 4.343 20 0 GIADRO COC[C@H]([NH2+][C@H](C)c1cc(Br)ccc1O)c1ccc(F)c(F)c1 ZINC000186225446 822862432 /nfs/dbraw/zinc/86/24/32/822862432.db2.gz CEXOMKSTPZAYRT-HWPZZCPQSA-N 1 0 386.236 4.471 20 0 GIADRO CS(=O)(=O)Cc1ccccc1C[NH2+]Cc1ccc(-c2ccccc2Cl)o1 ZINC000174994772 822865109 /nfs/dbraw/zinc/86/51/09/822865109.db2.gz BCSGBPUZTDXFOB-UHFFFAOYSA-N 1 0 389.904 4.434 20 0 GIADRO CC(C)c1ccc(Cn2nccc2NC(=O)NC2CC[NH+](C3CCC3)CC2)cc1 ZINC000568961483 822865464 /nfs/dbraw/zinc/86/54/64/822865464.db2.gz RRXZSZHXZCRCHQ-UHFFFAOYSA-N 1 0 395.551 4.193 20 0 GIADRO O=C(c1ccncc1)N1CCC([NH2+]Cc2cc(-c3ccccc3)cs2)CC1 ZINC000054176304 822866096 /nfs/dbraw/zinc/86/60/96/822866096.db2.gz HZRYQBCSKSSWBK-UHFFFAOYSA-N 1 0 377.513 4.205 20 0 GIADRO CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)cc1 ZINC000175005589 822866193 /nfs/dbraw/zinc/86/61/93/822866193.db2.gz ZZERTUSWPLZKJQ-GOSISDBHSA-N 1 0 381.520 4.176 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(-c2ccccc2)c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000054176123 822866209 /nfs/dbraw/zinc/86/62/09/822866209.db2.gz KQBCYAUKXOTKFL-GOSISDBHSA-N 1 0 394.540 4.455 20 0 GIADRO Fc1cc(F)cc(C2CC([NH2+]CCc3ccc(OCC(F)(F)F)nc3)C2)c1 ZINC000568981283 822867254 /nfs/dbraw/zinc/86/72/54/822867254.db2.gz KCNZZUZIAZXJST-UHFFFAOYSA-N 1 0 386.364 4.379 20 0 GIADRO CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000054195586 822867487 /nfs/dbraw/zinc/86/74/87/822867487.db2.gz RNTXJHBXFWFWBZ-GOSISDBHSA-N 1 0 393.531 4.453 20 0 GIADRO COc1cc(NC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)ccc1OC(C)C ZINC000186267822 822867508 /nfs/dbraw/zinc/86/75/08/822867508.db2.gz AHULAAUYMSERPP-DLBZAZTESA-N 1 0 389.540 4.257 20 0 GIADRO Cc1nc(Cc2ccccc2)sc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000175019971 822868598 /nfs/dbraw/zinc/86/85/98/822868598.db2.gz YXVUCURAQOYNKY-MOPGFXCFSA-N 1 0 383.561 4.130 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)CC1 ZINC000175021346 822868825 /nfs/dbraw/zinc/86/88/25/822868825.db2.gz ARENVERYACGXJU-OALUTQOASA-N 1 0 384.470 4.191 20 0 GIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2csc(Br)c2)C1 ZINC000054223674 822869106 /nfs/dbraw/zinc/86/91/06/822869106.db2.gz YMGUXXUXIRUORD-WFASDCNBSA-N 1 0 379.323 4.076 20 0 GIADRO C[C@H](C[NH+]1CCCCCC1)NC(=O)Nc1cccc(COCc2ccco2)c1 ZINC000186278870 822869345 /nfs/dbraw/zinc/86/93/45/822869345.db2.gz NZLOHHMYXLOEJO-GOSISDBHSA-N 1 0 385.508 4.382 20 0 GIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cc(Br)ccc2F)C1 ZINC000054224113 822869342 /nfs/dbraw/zinc/86/93/42/822869342.db2.gz KMVWUUNBCHJIHW-BBRMVZONSA-N 1 0 391.284 4.154 20 0 GIADRO COc1ccc2[nH+]cc(C(=O)[O-])c(N3CCC[C@H](C[N@@H+]4CCCC[C@@H]4C)C3)c2c1 ZINC000569007921 822869363 /nfs/dbraw/zinc/86/93/63/822869363.db2.gz PFUTUBHSBBOKOO-DLBZAZTESA-N 1 0 397.519 4.032 20 0 GIADRO Cc1oc(-c2ccccc2)nc1C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000054226809 822869701 /nfs/dbraw/zinc/86/97/01/822869701.db2.gz WVWHETHQDJVDFF-OXJNMPFZSA-N 1 0 375.472 4.215 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)Cc2csc(C(C)(C)C)n2)CC1 ZINC000175024559 822869821 /nfs/dbraw/zinc/86/98/21/822869821.db2.gz VWUPUVOVDJFRJV-UHFFFAOYSA-N 1 0 385.577 4.106 20 0 GIADRO C[C@H]1CCN(C(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)[C@@H](C)[C@H]1[NH3+] ZINC000457358431 822870041 /nfs/dbraw/zinc/87/00/41/822870041.db2.gz CFMBGWQKVCWVJU-PRXAMGSTSA-N 1 0 382.382 4.043 20 0 GIADRO COc1cc(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)ccc1OC(C)C ZINC000186283276 822870152 /nfs/dbraw/zinc/87/01/52/822870152.db2.gz MLZJSTXDNQXHCZ-UHFFFAOYSA-N 1 0 397.519 4.269 20 0 GIADRO Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)N3CCC[C@@H]([NH3+])[C@H]3C)cc12 ZINC000457361243 822870156 /nfs/dbraw/zinc/87/01/56/822870156.db2.gz YOQIEMPBVKDBLX-MLGOLLRUSA-N 1 0 388.924 4.001 20 0 GIADRO CC1(C)C(=O)N[C@@H]1C1CC[NH+](Cc2ccc(OCc3ccc(F)cc3)cc2)CC1 ZINC000569017792 822870244 /nfs/dbraw/zinc/87/02/44/822870244.db2.gz QJEJHUXZRGNVAZ-JOCHJYFZSA-N 1 0 396.506 4.141 20 0 GIADRO [NH3+]CC1CCN(C(=O)CCc2c3ccccc3[nH]c2-c2ccc(F)cc2)CC1 ZINC000457363416 822870360 /nfs/dbraw/zinc/87/03/60/822870360.db2.gz KMKVVKMIQZXZIR-UHFFFAOYSA-N 1 0 379.479 4.104 20 0 GIADRO C[C@H]1CCN(C(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)[C@@H](C)[C@H]1[NH3+] ZINC000457368770 822870806 /nfs/dbraw/zinc/87/08/06/822870806.db2.gz LRYPICXBFQEPTA-PGUXBMHVSA-N 1 0 383.439 4.027 20 0 GIADRO [NH3+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c(F)cccc2Cl)CC[C@@H]1c1ccc(F)cc1 ZINC000457368728 822870822 /nfs/dbraw/zinc/87/08/22/822870822.db2.gz FUKJEHDYEKPJHR-YKTARERQSA-N 1 0 390.861 4.065 20 0 GIADRO CC1(C)CN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)[C@@H]1c1ccncc1 ZINC000457370253 822870979 /nfs/dbraw/zinc/87/09/79/822870979.db2.gz DMGFAPMTVMCCAV-NHCUHLMSSA-N 1 0 378.520 4.011 20 0 GIADRO CC(=O)N(c1nc(C[NH2+]CCC[C@H]2CCCCO2)cs1)c1ccc(F)cc1 ZINC000186287220 822870943 /nfs/dbraw/zinc/87/09/43/822870943.db2.gz ZQLGTPGDYYTQJT-LJQANCHMSA-N 1 0 391.512 4.406 20 0 GIADRO [NH3+][C@@H]1CN(C(=O)c2ccc(CCC(F)(F)F)cc2)CC[C@@H]1c1ccc(F)cc1 ZINC000457374112 822871181 /nfs/dbraw/zinc/87/11/81/822871181.db2.gz KDGMOQRUWQNCDN-RTBURBONSA-N 1 0 394.412 4.278 20 0 GIADRO O=C(NNc1ccccc1C(F)(F)F)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000054255434 822871193 /nfs/dbraw/zinc/87/11/93/822871193.db2.gz IWBHVYHHQRNPSR-UHFFFAOYSA-N 1 0 377.410 4.448 20 0 GIADRO CC[C@H](c1cccc(OC)c1)N(C)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000569034051 822871523 /nfs/dbraw/zinc/87/15/23/822871523.db2.gz CCGLTVODAXOPMV-MSOLQXFVSA-N 1 0 375.538 4.152 20 0 GIADRO Cc1ccccc1-c1nc(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)cs1 ZINC000457384552 822871878 /nfs/dbraw/zinc/87/18/78/822871878.db2.gz RUEBCESOMZSCLA-OALUTQOASA-N 1 0 395.503 4.215 20 0 GIADRO O=C(Cc1ccccc1OC1CCCC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000457385572 822872016 /nfs/dbraw/zinc/87/20/16/822872016.db2.gz KZHIABQWOXAKPV-UHFFFAOYSA-N 1 0 392.543 4.331 20 0 GIADRO COc1ccc([C@H]2CCN(C(=O)c3cc(Cl)cc(Cl)c3)C[C@H]2[NH3+])cc1F ZINC000457393350 822872528 /nfs/dbraw/zinc/87/25/28/822872528.db2.gz ZGFRIDCHXMXZNH-NVXWUHKLSA-N 1 0 397.277 4.098 20 0 GIADRO O=C(c1[nH]ccc1C1CC1)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000457394698 822872549 /nfs/dbraw/zinc/87/25/49/822872549.db2.gz FLXIEDUWIMKDJR-UHFFFAOYSA-N 1 0 391.437 4.259 20 0 GIADRO CC(C)[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1ccc(C3SCCS3)cc1)C2 ZINC000175054604 822874645 /nfs/dbraw/zinc/87/46/45/822874645.db2.gz ZYVZTEIJDRYWGK-ZWKOTPCHSA-N 1 0 376.591 4.253 20 0 GIADRO C[NH+]1CCC(n2ccc(NC(=O)Nc3cccc(Oc4ccccc4)c3)n2)CC1 ZINC000569064288 822875918 /nfs/dbraw/zinc/87/59/18/822875918.db2.gz VWUSYAFMLFYONO-UHFFFAOYSA-N 1 0 391.475 4.008 20 0 GIADRO CC(C)COC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)CC1 ZINC000054322274 822876110 /nfs/dbraw/zinc/87/61/10/822876110.db2.gz MQSWYOXCDWEQQQ-IBGZPJMESA-N 1 0 387.568 4.141 20 0 GIADRO Cn1cc(-c2ncc(C[NH2+][C@@H]3CCC[C@@H](c4ccc(Cl)cc4)C3)cn2)cn1 ZINC000569069678 822876565 /nfs/dbraw/zinc/87/65/65/822876565.db2.gz AYGYHUHWTRZQRI-YLJYHZDGSA-N 1 0 381.911 4.347 20 0 GIADRO COc1ccc(C(=O)Nc2cccc(C[NH2+]C[C@@H]3CCCO[C@H]3C(C)C)c2)cc1 ZINC000175064428 822876522 /nfs/dbraw/zinc/87/65/22/822876522.db2.gz FVHYGZMRBNYCBG-REWPJTCUSA-N 1 0 396.531 4.488 20 0 GIADRO O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)Nc1ccccc1F ZINC000175064438 822876563 /nfs/dbraw/zinc/87/65/63/822876563.db2.gz VVJXYXAHFNHRIY-UHFFFAOYSA-N 1 0 385.483 4.019 20 0 GIADRO Cc1noc([C@H]2CCC[N@H+](CCCCOc3cccc(C(F)(F)F)c3)C2)n1 ZINC000054341112 822876962 /nfs/dbraw/zinc/87/69/62/822876962.db2.gz MTXHUALNKQUEMR-HNNXBMFYSA-N 1 0 383.414 4.435 20 0 GIADRO CC[C@H](c1ccncc1)N(C)C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000186332709 822877415 /nfs/dbraw/zinc/87/74/15/822877415.db2.gz ODMBHBUMMYQZCL-YADHBBJMSA-N 1 0 380.536 4.085 20 0 GIADRO CC(C)[NH+]1CCC(NC(=O)[C@H](C)Sc2ccnc3cc(Cl)ccc32)CC1 ZINC000175070787 822877398 /nfs/dbraw/zinc/87/73/98/822877398.db2.gz ZGEXUGXWBOHTDO-AWEZNQCLSA-N 1 0 391.968 4.358 20 0 GIADRO C[C@@H]([NH2+]C1CCC(O)(c2cccnc2)CC1)c1cc(Br)ccc1F ZINC000186333272 822877424 /nfs/dbraw/zinc/87/74/24/822877424.db2.gz MKAKURJHIQFRHW-DAIYRKSASA-N 1 0 393.300 4.464 20 0 GIADRO CO[C@@H](C)c1nc(CN2CC[NH+](Cc3cccc4ccccc43)CC2)cs1 ZINC000175071153 822877517 /nfs/dbraw/zinc/87/75/17/822877517.db2.gz HNFMNZTWLDPKNM-KRWDZBQOSA-N 1 0 381.545 4.322 20 0 GIADRO Cc1cc2occ(C(=O)N3CCC(CCC[NH+]4CCOCC4)CC3)c2cc1C ZINC000186334386 822877584 /nfs/dbraw/zinc/87/75/84/822877584.db2.gz PCSIGKLHSHVCPS-UHFFFAOYSA-N 1 0 384.520 4.014 20 0 GIADRO CC[N@H+](CCc1nc2ccccc2c(=O)[nH]1)Cc1ccc(Cl)c(Cl)c1 ZINC000054349572 822877591 /nfs/dbraw/zinc/87/75/91/822877591.db2.gz DWJGJPDEMFDMBB-UHFFFAOYSA-N 1 0 376.287 4.295 20 0 GIADRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@](C)(O)[C@H](C)c1ccccc1 ZINC000175078032 822878391 /nfs/dbraw/zinc/87/83/91/822878391.db2.gz TUKFDBWHLNITMH-JPYJTQIMSA-N 1 0 398.572 4.037 20 0 GIADRO CC[NH2+]CCCNC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)c(C(C)C)o1 ZINC000569086014 822878624 /nfs/dbraw/zinc/87/86/24/822878624.db2.gz CYANWZISRYWQNI-GOSISDBHSA-N 1 0 384.524 4.311 20 0 GIADRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000569088933 822879134 /nfs/dbraw/zinc/87/91/34/822879134.db2.gz VZGPSCAWMFJYFS-QEEYODRMSA-N 1 0 398.469 4.162 20 0 GIADRO CC(C)Sc1ccc([C@@H](C)NC(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)cc1 ZINC000569091348 822879249 /nfs/dbraw/zinc/87/92/49/822879249.db2.gz HCSLAYYIIFGYDD-PBHICJAKSA-N 1 0 384.549 4.281 20 0 GIADRO CC1CC[NH+]([C@@H](CNC(=O)Nc2ccc3c(c2)OCO3)c2cccs2)CC1 ZINC000054373511 822879270 /nfs/dbraw/zinc/87/92/70/822879270.db2.gz AWQHFAMQUYLCIJ-INIZCTEOSA-N 1 0 387.505 4.072 20 0 GIADRO CCO[C@@H]1C[C@H](Nc2cc[nH+]c3cc(C(F)(F)F)ccc23)[C@@H]1n1cccn1 ZINC000569091180 822879407 /nfs/dbraw/zinc/87/94/07/822879407.db2.gz QLPWUANGTUIJHF-KSZLIROESA-N 1 0 376.382 4.281 20 0 GIADRO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C1CCC(O)(c2cccnc2)CC1)CC3 ZINC000186346573 822879454 /nfs/dbraw/zinc/87/94/54/822879454.db2.gz CUZHHNLBAAHEGO-IQJRZOLZSA-N 1 0 375.516 4.149 20 0 GIADRO Cc1cc(C(=O)OC(C)(C)C)cc(C(=O)N2CCC([NH+]3CCCCC3)CC2)c1 ZINC000457481374 822879733 /nfs/dbraw/zinc/87/97/33/822879733.db2.gz QMRDIRJOMYJVBD-UHFFFAOYSA-N 1 0 386.536 4.041 20 0 GIADRO CC(=O)Nc1ccc(Cl)c(NC(=O)NC(C)(C)CC[NH+]2CCCCCC2)c1 ZINC000186351332 822880130 /nfs/dbraw/zinc/88/01/30/822880130.db2.gz JXJHYKZFSXGGPR-UHFFFAOYSA-N 1 0 394.947 4.465 20 0 GIADRO CC(C)C(=O)Nc1ccc(NC(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000054384443 822880274 /nfs/dbraw/zinc/88/02/74/822880274.db2.gz RUSYDIDMWWLVNO-CALCHBBNSA-N 1 0 388.556 4.159 20 0 GIADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc(NC(=O)c3ccco3)cc2)C1 ZINC000054387527 822880571 /nfs/dbraw/zinc/88/05/71/822880571.db2.gz FIEOMOHIMMAWCO-INIZCTEOSA-N 1 0 398.507 4.164 20 0 GIADRO CCOC(=O)c1nn(C)cc1C[NH2+][C@@H](Cc1ccccc1)c1sccc1C ZINC000186355809 822881110 /nfs/dbraw/zinc/88/11/10/822881110.db2.gz IIKSWMFCHYJNEW-SFHVURJKSA-N 1 0 383.517 4.040 20 0 GIADRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)C23C[C@H]4C[C@@H](C2)CC(C(F)(F)F)(C4)C3)CC1 ZINC000569118753 822881279 /nfs/dbraw/zinc/88/12/79/822881279.db2.gz HTCGKRDAKCDWMO-FJBOLNLJSA-N 1 0 398.513 4.372 20 0 GIADRO CCc1ccccc1NC(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000175095773 822881490 /nfs/dbraw/zinc/88/14/90/822881490.db2.gz AJAIFLBVHPNHDB-UHFFFAOYSA-N 1 0 395.547 4.442 20 0 GIADRO COC(=O)N1CCC([C@@H](C)[NH2+]Cc2ccc(Oc3cccnc3)c(C)c2)CC1 ZINC000186359716 822881814 /nfs/dbraw/zinc/88/18/14/822881814.db2.gz LHJCKCHZERLLSR-QGZVFWFLSA-N 1 0 383.492 4.139 20 0 GIADRO Cc1cc(Br)c(F)cc1NC1CC[NH+](Cc2ccncc2)CC1 ZINC000186361056 822881843 /nfs/dbraw/zinc/88/18/43/822881843.db2.gz SBYLDTFQNJJNGU-UHFFFAOYSA-N 1 0 378.289 4.368 20 0 GIADRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1cnc2ccccc2c1 ZINC000457497475 822881943 /nfs/dbraw/zinc/88/19/43/822881943.db2.gz DSADAFIHODRYKY-UHFFFAOYSA-N 1 0 377.513 4.344 20 0 GIADRO CCCCNC(=O)c1ccc(C[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)cc1 ZINC000186365095 822882425 /nfs/dbraw/zinc/88/24/25/822882425.db2.gz IDCKGPADDBSXEB-UHFFFAOYSA-N 1 0 382.504 4.151 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2cccc(OC(F)F)c2)C1 ZINC000054410481 822883143 /nfs/dbraw/zinc/88/31/43/822883143.db2.gz PYQJBXRDDDHYRM-PBHICJAKSA-N 1 0 375.419 4.245 20 0 GIADRO CCOC(=O)Nc1ccc(NC(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc1 ZINC000054410646 822883226 /nfs/dbraw/zinc/88/32/26/822883226.db2.gz CLUKYTRZYUMAET-OXJNMPFZSA-N 1 0 396.491 4.212 20 0 GIADRO C[C@H](Cn1cc(Br)cn1)[NH2+]CC1(CCOCc2ccccc2)CC1 ZINC000186370789 822883477 /nfs/dbraw/zinc/88/34/77/822883477.db2.gz JZCIUOQUFBRPDC-MRXNPFEDSA-N 1 0 392.341 4.011 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+](C)Cc1ccc(F)cc1 ZINC000054425917 822883819 /nfs/dbraw/zinc/88/38/19/822883819.db2.gz QJNDLAYQZMHNOI-UHFFFAOYSA-N 1 0 380.467 4.089 20 0 GIADRO CCc1ccc([C@@H](CN[C@H](c2cccs2)c2nc[nH]n2)[NH+](CC)CC)cc1 ZINC000569146177 822883882 /nfs/dbraw/zinc/88/38/82/822883882.db2.gz NTVFDPZZAHDOKJ-UYAOXDASSA-N 1 0 383.565 4.191 20 0 GIADRO COc1ccccc1[C@@H](C[NH2+][C@H](C)c1cnc2cc(C)nn2c1C)OC(C)C ZINC000186375427 822884111 /nfs/dbraw/zinc/88/41/11/822884111.db2.gz WIBSNGOLMFNANF-IIBYNOLFSA-N 1 0 382.508 4.172 20 0 GIADRO COc1ccccc1[C@@H](C[NH2+][C@@H](C)c1cnc2cc(C)nn2c1C)OC(C)C ZINC000186375444 822884173 /nfs/dbraw/zinc/88/41/73/822884173.db2.gz WIBSNGOLMFNANF-HRAATJIYSA-N 1 0 382.508 4.172 20 0 GIADRO COc1cc(-c2nc(C[NH2+][C@@H]3CCCO[C@H]3CC(C)C)cs2)ccc1O ZINC000186377888 822884621 /nfs/dbraw/zinc/88/46/21/822884621.db2.gz VPSHOUGKPXGIGS-AEFFLSMTSA-N 1 0 376.522 4.208 20 0 GIADRO COc1cc(-c2nc(C[NH2+][C@H]3CCCO[C@H]3CC(C)C)cs2)ccc1O ZINC000186377925 822884686 /nfs/dbraw/zinc/88/46/86/822884686.db2.gz VPSHOUGKPXGIGS-WMZOPIPTSA-N 1 0 376.522 4.208 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000457520721 822885111 /nfs/dbraw/zinc/88/51/11/822885111.db2.gz VITADQYPYZIKBG-OAQYLSRUSA-N 1 0 379.504 4.312 20 0 GIADRO COc1ccccc1[C@H](C[NH2+][C@H](C)CC(=O)Nc1ccccc1C)OC(C)C ZINC000186380553 822885169 /nfs/dbraw/zinc/88/51/69/822885169.db2.gz LJRDDIZEMMGRHR-GCJKJVERSA-N 1 0 384.520 4.477 20 0 GIADRO CSCc1cccnc1C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000569158725 822885885 /nfs/dbraw/zinc/88/58/85/822885885.db2.gz POJRFNJOPUNWDZ-UHFFFAOYSA-N 1 0 383.561 4.251 20 0 GIADRO CC[C@@H](c1cccc(OC)c1)N(C)C(=O)c1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000569163239 822886812 /nfs/dbraw/zinc/88/68/12/822886812.db2.gz HAYQCRNMQWBDNJ-QHCPKHFHSA-N 1 0 395.547 4.060 20 0 GIADRO CCCCOc1cccc(NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000054469710 822888030 /nfs/dbraw/zinc/88/80/30/822888030.db2.gz NXJGTHREPDKADE-UHFFFAOYSA-N 1 0 382.508 4.047 20 0 GIADRO Fc1ccccc1N1CC[C@H](c2nc(-c3cccc(C[NH+]4CCCC4)c3)no2)C1 ZINC000569174537 822888890 /nfs/dbraw/zinc/88/88/90/822888890.db2.gz NTXSERBZBVDSLD-IBGZPJMESA-N 1 0 392.478 4.465 20 0 GIADRO CCCn1ncc(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c1C1CC1 ZINC000569178899 822889397 /nfs/dbraw/zinc/88/93/97/822889397.db2.gz AQKMXFWVDSXGMO-FQEVSTJZSA-N 1 0 394.563 4.203 20 0 GIADRO O=C(c1ccc(Oc2cccc(Cl)c2)cn1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000457552248 822889620 /nfs/dbraw/zinc/88/96/20/822889620.db2.gz GXQRSEBYQCFYLE-UHFFFAOYSA-N 1 0 399.922 4.475 20 0 GIADRO CC[NH+]1CCN(c2cccc(NCc3cccc(OC)c3OC(F)F)c2)CC1 ZINC000186411843 822890407 /nfs/dbraw/zinc/89/04/07/822890407.db2.gz VKHVANSUKGNYIP-UHFFFAOYSA-N 1 0 391.462 4.051 20 0 GIADRO C[C@@H]([NH2+]CCc1cn(C)c2cc(F)ccc12)c1ccc(N2CCOC2=O)cc1 ZINC000186412363 822890436 /nfs/dbraw/zinc/89/04/36/822890436.db2.gz ZIFCXGUUJVSSKQ-OAHLLOKOSA-N 1 0 381.451 4.167 20 0 GIADRO O=C(Nc1cc2c(cc1Cl)OCCCO2)NC1CC[NH+](C2CCCC2)CC1 ZINC000175142851 822891058 /nfs/dbraw/zinc/89/10/58/822891058.db2.gz ZRKZEVFUOCNITM-UHFFFAOYSA-N 1 0 393.915 4.030 20 0 GIADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)N[C@H]3CCSc4ccc(Cl)cc43)C2)C1 ZINC000457558446 822891008 /nfs/dbraw/zinc/89/10/08/822891008.db2.gz TWYBVCIVTIQXFU-LPHOPBHVSA-N 1 0 379.957 4.004 20 0 GIADRO Cc1ccc([C@H](CNC(=O)Nc2cn(C)nc2C2CCCCC2)[NH+](C)C)cc1 ZINC000569192964 822891167 /nfs/dbraw/zinc/89/11/67/822891167.db2.gz MPOVUVXVXHSMDV-FQEVSTJZSA-N 1 0 383.540 4.201 20 0 GIADRO CCC[N@@H+]1CC[C@H](CNC(=O)NCc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000054509730 822891660 /nfs/dbraw/zinc/89/16/60/822891660.db2.gz OZMZFEDQWZUHKX-OAHLLOKOSA-N 1 0 398.532 4.087 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCO[C@@H](c2nccn2C)C1)c1csc(-c2ccccc2F)n1 ZINC000569198209 822891723 /nfs/dbraw/zinc/89/17/23/822891723.db2.gz ZZDREFDPZYRBDY-PMUMKWKESA-N 1 0 386.496 4.254 20 0 GIADRO CC[C@@H](CC(F)F)C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000457565727 822892044 /nfs/dbraw/zinc/89/20/44/822892044.db2.gz HYXFGZMGONGROZ-ZFWWWQNUSA-N 1 0 378.385 4.077 20 0 GIADRO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCc1cnc(-c2ccc(Cl)cc2)s1 ZINC000569207551 822892873 /nfs/dbraw/zinc/89/28/73/822892873.db2.gz XPVUYKJIWBVOCR-QGZVFWFLSA-N 1 0 377.941 4.343 20 0 GIADRO COC(=O)N1CCC([C@@H](C)[NH2+]Cc2nc(-c3c(F)cccc3F)cs2)CC1 ZINC000186426234 822892909 /nfs/dbraw/zinc/89/29/09/822892909.db2.gz OCIHBIHZNOZFDX-GFCCVEGCSA-N 1 0 395.475 4.045 20 0 GIADRO Cc1ccc([C@H](OC[C@@H](O)C[NH2+]Cc2ccc(C)c(C)n2)c2ccccc2)cc1 ZINC000569214702 822893815 /nfs/dbraw/zinc/89/38/15/822893815.db2.gz ZHNOVJNVQIDSHF-LOSJGSFVSA-N 1 0 390.527 4.264 20 0 GIADRO Cc1cccc(Oc2ccc(C(=O)N3CCC[C@H]([NH+]4CCCC4)CC3)nc2)c1 ZINC000457580921 822894220 /nfs/dbraw/zinc/89/42/20/822894220.db2.gz PRWOSLGVDAUHKP-IBGZPJMESA-N 1 0 379.504 4.273 20 0 GIADRO C[C@H]([NH2+]Cc1nc(COc2ccccc2)n[nH]1)[C@H](C)c1nc2ccccc2s1 ZINC000186433718 822894584 /nfs/dbraw/zinc/89/45/84/822894584.db2.gz RYROKVKBDAMGCT-GJZGRUSLSA-N 1 0 393.516 4.275 20 0 GIADRO CC(C)c1nn(-c2ccccc2)cc1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000569229988 822894715 /nfs/dbraw/zinc/89/47/15/822894715.db2.gz SGBTXEZPXKOXTF-UHFFFAOYSA-N 1 0 394.563 4.380 20 0 GIADRO O[C@@H](C[NH2+][C@@H]1CCOC2(CCCC2)C1)Cn1c2ccccc2c2ccccc21 ZINC000569232064 822894759 /nfs/dbraw/zinc/89/47/59/822894759.db2.gz HSMKSULEFIEMMY-MOPGFXCFSA-N 1 0 378.516 4.237 20 0 GIADRO COc1ccc2ccc(O)c(C[NH+]3CCC(NC(=O)OC(C)(C)C)CC3)c2c1 ZINC000054548764 822894922 /nfs/dbraw/zinc/89/49/22/822894922.db2.gz IUJXONWHGOVUNV-UHFFFAOYSA-N 1 0 386.492 4.043 20 0 GIADRO O[C@H](C[NH2+][C@@H]1CCOC2(CCCC2)C1)Cn1c2ccccc2c2ccccc21 ZINC000569232067 822894960 /nfs/dbraw/zinc/89/49/60/822894960.db2.gz HSMKSULEFIEMMY-RTBURBONSA-N 1 0 378.516 4.237 20 0 GIADRO CN(C(=O)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457594084 822895830 /nfs/dbraw/zinc/89/58/30/822895830.db2.gz ZZVMFQRYLKZMLB-BRWVUGGUSA-N 1 0 389.506 4.404 20 0 GIADRO COC(=O)N(C)c1ccc(NC(=O)NC(C)(C)CC[NH+]2CCCCCC2)cc1 ZINC000186447539 822897352 /nfs/dbraw/zinc/89/73/52/822897352.db2.gz ZTWJUDSBOIQUQB-UHFFFAOYSA-N 1 0 390.528 4.055 20 0 GIADRO Cc1cccc([C@H]2CCCN2C(=O)NC2CC[NH+](Cc3ccccn3)CC2)c1C ZINC000175177722 822898214 /nfs/dbraw/zinc/89/82/14/822898214.db2.gz YEIGAOCAZYXJCW-HSZRJFAPSA-N 1 0 392.547 4.210 20 0 GIADRO C[C@H]([NH2+][C@H]1CCN(c2ccccc2C(F)(F)F)C1=O)c1ccc(Cl)nc1 ZINC000186459451 822898962 /nfs/dbraw/zinc/89/89/62/822898962.db2.gz BHHBUCFACRGVGV-FZMZJTMJSA-N 1 0 383.801 4.210 20 0 GIADRO CCO[C@H]1C[C@@H]([NH2+]C2(c3cccc(Br)c3)CC2)C12CCOCC2 ZINC000186461688 822899249 /nfs/dbraw/zinc/89/92/49/822899249.db2.gz LEMODWFZPPBJRG-SJORKVTESA-N 1 0 380.326 4.002 20 0 GIADRO C[C@@H]([NH2+]C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)c1ccccn1 ZINC000186464927 822899767 /nfs/dbraw/zinc/89/97/67/822899767.db2.gz YCDMTOFXWQETNM-CQSZACIVSA-N 1 0 377.410 4.056 20 0 GIADRO Cc1c(Cl)cncc1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000457643247 822900230 /nfs/dbraw/zinc/90/02/30/822900230.db2.gz CSVKBFWBBWUYIZ-WIYYLYMNSA-N 1 0 383.923 4.170 20 0 GIADRO Cc1ccc(SC[C@@H](C)[NH2+][C@@H](C)c2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000186471205 822900615 /nfs/dbraw/zinc/90/06/15/822900615.db2.gz YBVRVMBKBZVJJG-CVEARBPZSA-N 1 0 378.563 4.198 20 0 GIADRO O=C(c1cnc2ccccc2c1)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000457647864 822901042 /nfs/dbraw/zinc/90/10/42/822901042.db2.gz IPCDNBIGHKIBOE-QPPBQGQZSA-N 1 0 385.511 4.362 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(-c2cncnc2)cc1F)c1ccsc1 ZINC000186473436 822901129 /nfs/dbraw/zinc/90/11/29/822901129.db2.gz POEMLQPUXLIUQH-HXUWFJFHSA-N 1 0 398.507 4.157 20 0 GIADRO CC(C)=CC(=O)NCc1ccc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000175197939 822902224 /nfs/dbraw/zinc/90/22/24/822902224.db2.gz HBXBKUKBTDWRKI-UHFFFAOYSA-N 1 0 391.515 4.117 20 0 GIADRO Cc1c([C@H](C)[NH2+]CCc2nn(C)c3ccccc23)nnn1-c1cccc(Cl)c1 ZINC000186482551 822902294 /nfs/dbraw/zinc/90/22/94/822902294.db2.gz NCHXKECKYUGGME-AWEZNQCLSA-N 1 0 394.910 4.009 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CCc1nn(C)c2ccccc12 ZINC000186482713 822902438 /nfs/dbraw/zinc/90/24/38/822902438.db2.gz AHFPASBUYLLNEW-AWEZNQCLSA-N 1 0 377.517 4.294 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)NCCc2cc3ccccc3o2)[C@@H]1c1cccs1 ZINC000175201075 822903167 /nfs/dbraw/zinc/90/31/67/822903167.db2.gz UQGDOOLBXSRLPA-DYESRHJHSA-N 1 0 397.544 4.419 20 0 GIADRO C[C@@H](Sc1ccnc2cc(Cl)ccc21)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000175204353 822903711 /nfs/dbraw/zinc/90/37/11/822903711.db2.gz DPWLURRNTHQGGQ-CYBMUJFWSA-N 1 0 389.952 4.112 20 0 GIADRO Cc1nccn1CCCC[NH2+]C1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000569305427 822904843 /nfs/dbraw/zinc/90/48/43/822904843.db2.gz MMKFTYNLPKPOFE-UHFFFAOYSA-N 1 0 381.442 4.286 20 0 GIADRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3ccc(Oc4cccc(Cl)c4)cn3)C2)CC1 ZINC000457675620 822905270 /nfs/dbraw/zinc/90/52/70/822905270.db2.gz RBKXVZFBVXSAQS-QGZVFWFLSA-N 1 0 399.922 4.331 20 0 GIADRO CCC(=O)Nc1ccc(Cl)c(NC(=O)NC2CC[NH+](C3CCCC3)CC2)c1 ZINC000175213431 822905948 /nfs/dbraw/zinc/90/59/48/822905948.db2.gz AXQMFXTWKQGTGE-UHFFFAOYSA-N 1 0 392.931 4.217 20 0 GIADRO FC(F)(F)Cn1ccnc1C[NH2+]CC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000186508519 822906460 /nfs/dbraw/zinc/90/64/60/822906460.db2.gz UKWXRDQZRNJHQU-UHFFFAOYSA-N 1 0 377.332 4.286 20 0 GIADRO O=C(Cc1ccccc1OC1CCCC1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000457690344 822907190 /nfs/dbraw/zinc/90/71/90/822907190.db2.gz XIXZTUZAMSEACR-UGKGYDQZSA-N 1 0 382.548 4.026 20 0 GIADRO O=C(Nc1cccc(OCc2cccnc2)c1)NC1CC[NH+](C2CCCC2)CC1 ZINC000175220621 822907833 /nfs/dbraw/zinc/90/78/33/822907833.db2.gz SCLGRLCOWXLMEP-UHFFFAOYSA-N 1 0 394.519 4.189 20 0 GIADRO CCOC(=O)[C@H]1CC[C@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)c2ccccc21 ZINC000569330608 822908689 /nfs/dbraw/zinc/90/86/89/822908689.db2.gz RKUNPCWLIFLCJU-GOTSBHOMSA-N 1 0 389.499 4.203 20 0 GIADRO Cc1ccccc1C(NC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1C ZINC000186528627 822908782 /nfs/dbraw/zinc/90/87/82/822908782.db2.gz ZVCYCZJNXQCMPA-LJQANCHMSA-N 1 0 377.532 4.176 20 0 GIADRO COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)NCCC[NH2+]C(C)C)cc1 ZINC000569334896 822908947 /nfs/dbraw/zinc/90/89/47/822908947.db2.gz RZJVWLXLZRBCEN-SFHVURJKSA-N 1 0 383.536 4.453 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)c1ccc(C2=CCCC2)cc1 ZINC000569346041 822909996 /nfs/dbraw/zinc/90/99/96/822909996.db2.gz FTBJCQMVDZDRSB-UHFFFAOYSA-N 1 0 376.500 4.463 20 0 GIADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc2nc(-c3ccccc3)oc2c1 ZINC000569368408 822911923 /nfs/dbraw/zinc/91/19/23/822911923.db2.gz NCRPECUVHJCFQQ-LPHOPBHVSA-N 1 0 375.472 4.194 20 0 GIADRO Cc1cc(Br)c(C(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)s1 ZINC000457733926 822912190 /nfs/dbraw/zinc/91/21/90/822912190.db2.gz JXKXQWAZQCWNEF-SWLSCSKDSA-N 1 0 381.339 4.240 20 0 GIADRO COc1ccc([C@@H](NC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)c2ccco2)cc1 ZINC000457734759 822912545 /nfs/dbraw/zinc/91/25/45/822912545.db2.gz KRYGYMBURCFXPL-PGRDOPGGSA-N 1 0 399.535 4.189 20 0 GIADRO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)N1C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000457740803 822913230 /nfs/dbraw/zinc/91/32/30/822913230.db2.gz OVMMBXAQOALWCS-NXOAAHMSSA-N 1 0 377.495 4.259 20 0 GIADRO CC(C)Oc1ccc(CC[C@H](C)NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000175246914 822913227 /nfs/dbraw/zinc/91/32/27/822913227.db2.gz PHLYVYUXRFBEIA-XSLAUPDRSA-N 1 0 387.568 4.109 20 0 GIADRO O=C(/C=C/c1cc2ccccc2o1)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000186563994 822913756 /nfs/dbraw/zinc/91/37/56/822913756.db2.gz VBGYRFYBBRWYAR-CFGKVWFZSA-N 1 0 375.472 4.012 20 0 GIADRO CC[N@H+](Cc1ccc2c(c1)OCO2)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000054808523 822914697 /nfs/dbraw/zinc/91/46/97/822914697.db2.gz FWOSMCWPORNCJP-UHFFFAOYSA-N 1 0 380.488 4.064 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@@H](CN(C)Cc2ccccc2)C(C)C)cc1NC(C)=O ZINC000186573927 822915908 /nfs/dbraw/zinc/91/59/08/822915908.db2.gz XWTASZKGPOXDHL-MBSDFSHPSA-N 1 0 397.563 4.461 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)cc1O ZINC000569396780 822916563 /nfs/dbraw/zinc/91/65/63/822916563.db2.gz MLUYSJXHEMUUGD-RDTXWAMCSA-N 1 0 394.437 4.345 20 0 GIADRO Cc1csc([C@H](C)C[NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)n1 ZINC000186581355 822916932 /nfs/dbraw/zinc/91/69/32/822916932.db2.gz XKVKFSVXNCHETG-VXGBXAGGSA-N 1 0 396.354 4.324 20 0 GIADRO O=C(CCCCCc1cccs1)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000186581281 822917056 /nfs/dbraw/zinc/91/70/56/822917056.db2.gz OEVGSDCWZBCHIJ-FQEVSTJZSA-N 1 0 385.577 4.417 20 0 GIADRO Cc1c(C(=O)Nc2cccc3c2OCC[C@H]3[NH+](C)C)cnn1-c1ccccc1C ZINC000569405924 822917871 /nfs/dbraw/zinc/91/78/71/822917871.db2.gz LJULAOJSKIUBJK-OAQYLSRUSA-N 1 0 390.487 4.127 20 0 GIADRO Cc1nc(-c2ccc([C@H](C)NC(=O)N3CC[N@@H+](C4CC4)C[C@H](C)C3)cc2)cs1 ZINC000457775646 822918007 /nfs/dbraw/zinc/91/80/07/822918007.db2.gz NYECYFMQWDADFP-HOTGVXAUSA-N 1 0 398.576 4.305 20 0 GIADRO COc1ccc(C[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)cc1OC(F)F ZINC000186588978 822918454 /nfs/dbraw/zinc/91/84/54/822918454.db2.gz NHJDHYNGIZATOA-UHFFFAOYSA-N 1 0 395.421 4.005 20 0 GIADRO C[C@@H]1CN(c2ccc(C[NH2+]CC3CCC(C(F)(F)F)CC3)cn2)C[C@@H](C)O1 ZINC000186590492 822918958 /nfs/dbraw/zinc/91/89/58/822918958.db2.gz NRRFKBNYPRZRLN-RSIVFMTNSA-N 1 0 385.474 4.154 20 0 GIADRO Cc1cc(Br)c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)s1 ZINC000457791404 822919740 /nfs/dbraw/zinc/91/97/40/822919740.db2.gz BSPDKLDZGOXEOV-CZUORRHYSA-N 1 0 393.350 4.212 20 0 GIADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc(Oc2cccc(Cl)c2)cn1 ZINC000457807016 822921353 /nfs/dbraw/zinc/92/13/53/822921353.db2.gz PAQRXYORSCFKDF-WBVHZDCISA-N 1 0 385.895 4.226 20 0 GIADRO O=C(CCC[NH2+]Cc1cncc(Br)c1)Nc1ccc(Cl)cc1 ZINC000186600800 822921785 /nfs/dbraw/zinc/92/17/85/822921785.db2.gz YGJAMSZIHCLBSN-UHFFFAOYSA-N 1 0 382.689 4.006 20 0 GIADRO COc1cccc([C@H](CNC(=O)N(C)[C@@H](C)c2ccc(F)cc2)[NH+]2CCCC2)c1 ZINC000054921199 822922348 /nfs/dbraw/zinc/92/23/48/822922348.db2.gz ICUATMRZPJWMPL-JTSKRJEESA-N 1 0 399.510 4.374 20 0 GIADRO Cc1cccc(NC(=S)NCCCC[NH+]2CCN(c3ccccc3)CC2)c1C ZINC000054939634 822923395 /nfs/dbraw/zinc/92/33/95/822923395.db2.gz OYZQHJPCJVIGGY-UHFFFAOYSA-N 1 0 396.604 4.192 20 0 GIADRO O=C(c1ccc(SC(F)F)cc1)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000186613718 822923503 /nfs/dbraw/zinc/92/35/03/822923503.db2.gz WMRFZCDWVYTGDH-QGZVFWFLSA-N 1 0 391.487 4.181 20 0 GIADRO C[C@H]1C[C@@H](NC(=O)NCc2nc3ccccc3s2)CC[N@@H+]1Cc1ccccc1 ZINC000175283528 822924134 /nfs/dbraw/zinc/92/41/34/822924134.db2.gz MFIMUZAWKUUWQP-WMZOPIPTSA-N 1 0 394.544 4.149 20 0 GIADRO CCOc1ccc(C(=O)N(CC)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000175286090 822924579 /nfs/dbraw/zinc/92/45/79/822924579.db2.gz HWEKYIBGWJJDOK-HXUWFJFHSA-N 1 0 396.531 4.078 20 0 GIADRO O=C([C@@H]1CCC[N@H+](Cc2cccnc2)C1)N1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000569449131 822924988 /nfs/dbraw/zinc/92/49/88/822924988.db2.gz WBNWZOSIADXMJO-PKTZIBPZSA-N 1 0 389.543 4.090 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1oc2c(c1C)C(=O)CCC2 ZINC000175287644 822925097 /nfs/dbraw/zinc/92/50/97/822925097.db2.gz GKBVXLPJUSSUDB-LJQANCHMSA-N 1 0 394.515 4.091 20 0 GIADRO Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H](c2cnn(C)c2)c2ccc(F)cc2)c(C)c1 ZINC000186627126 822925797 /nfs/dbraw/zinc/92/57/97/822925797.db2.gz ZKQWZHMYDWKLCT-GAJHUEQPSA-N 1 0 394.494 4.272 20 0 GIADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccc(C)c(NC(=O)Nc2ccccc2)c1 ZINC000569466671 822926409 /nfs/dbraw/zinc/92/64/09/822926409.db2.gz HBJMRWJMSLRGPQ-GOSISDBHSA-N 1 0 396.535 4.489 20 0 GIADRO CCN1CCC([NH+]2CCC(C(=O)Nc3ccccc3CCC(C)C)CC2)CC1 ZINC000569470916 822927111 /nfs/dbraw/zinc/92/71/11/822927111.db2.gz PZPSBHFIUJMNHW-UHFFFAOYSA-N 1 0 385.596 4.410 20 0 GIADRO CCSCc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)cc1 ZINC000054983337 822928333 /nfs/dbraw/zinc/92/83/33/822928333.db2.gz RUMKBSRQFGDIIV-UHFFFAOYSA-N 1 0 383.561 4.252 20 0 GIADRO CCCC(O)(CCC)CC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000569495096 822929501 /nfs/dbraw/zinc/92/95/01/822929501.db2.gz GSFCSGSGSQLJGH-GOSISDBHSA-N 1 0 380.598 4.058 20 0 GIADRO CCc1cccc[n+]1C(C(=O)c1ccc(CC(C)C)cc1)C(=S)NC1CC1 ZINC000055011265 822930835 /nfs/dbraw/zinc/93/08/35/822930835.db2.gz OWIRZBNWABXQFW-UHFFFAOYSA-O 1 0 381.565 4.426 20 0 GIADRO CSCC[C@H](C)N(C)C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000569506226 822931233 /nfs/dbraw/zinc/93/12/33/822931233.db2.gz WQUJPDZDNDJEHE-SFHVURJKSA-N 1 0 377.598 4.202 20 0 GIADRO C[C@@]1(CCCO)CCC[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000569509696 822931769 /nfs/dbraw/zinc/93/17/69/822931769.db2.gz WTPFVXYBOJIRRF-QHCPKHFHSA-N 1 0 376.504 4.061 20 0 GIADRO CCCc1cc[n+](C(C(=O)c2ccc(OC)cc2)C(=S)NC(C)(C)C)cc1 ZINC000055014972 822931771 /nfs/dbraw/zinc/93/17/71/822931771.db2.gz RIYGCNSTYBHSEH-UHFFFAOYSA-O 1 0 385.553 4.262 20 0 GIADRO C[C@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)[N@H+](C)CCc1ccc(F)cc1 ZINC000055024671 822931884 /nfs/dbraw/zinc/93/18/84/822931884.db2.gz DREYVSKKWGCYOC-SECBINFHSA-N 1 0 390.327 4.023 20 0 GIADRO CC[NH+](CC)CCCNC(=O)C1CCN([C@H](C)c2cccc(Cl)c2F)CC1 ZINC000186678932 822935637 /nfs/dbraw/zinc/93/56/37/822935637.db2.gz GUAOGKJBNGIOOP-MRXNPFEDSA-N 1 0 397.966 4.100 20 0 GIADRO C[C@H](NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccccc1C(F)(F)F ZINC000055087422 822937017 /nfs/dbraw/zinc/93/70/17/822937017.db2.gz OLFLUWIXYPEEJO-YOEHRIQHSA-N 1 0 395.425 4.496 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)Nc2cccc(OC(F)F)c2)CC1 ZINC000175332164 822937642 /nfs/dbraw/zinc/93/76/42/822937642.db2.gz QQFPLYRPVCCYPB-UHFFFAOYSA-N 1 0 389.446 4.416 20 0 GIADRO COc1cc(F)cc(C[C@H](C)[NH2+]C2CCC3(CC2)C(=O)Nc2ccccc23)c1 ZINC000569546518 822938141 /nfs/dbraw/zinc/93/81/41/822938141.db2.gz IFSSPIHNHIINLZ-AQPJMAJASA-N 1 0 382.479 4.188 20 0 GIADRO CCC[NH+](CCC)CCCC(=O)N1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000457930383 822938767 /nfs/dbraw/zinc/93/87/67/822938767.db2.gz NNBSQAKFFGVNFY-QGZVFWFLSA-N 1 0 392.506 4.096 20 0 GIADRO Cc1nc(C[N@@H+](C[C@@H](C)O)[C@@H](C)Cc2ccc(Cl)cc2)nc2ccccc12 ZINC000569550616 822938955 /nfs/dbraw/zinc/93/89/55/822938955.db2.gz GTFHWUSNUVGXGF-JKSUJKDBSA-N 1 0 383.923 4.406 20 0 GIADRO COc1ccc(NC(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1Cc1ccccc1 ZINC000569555492 822939402 /nfs/dbraw/zinc/93/94/02/822939402.db2.gz UXZQDGINTDRMIK-PMACEKPBSA-N 1 0 393.531 4.139 20 0 GIADRO C[C@H](NC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O)c1cccc2ccccc21 ZINC000569557297 822939729 /nfs/dbraw/zinc/93/97/29/822939729.db2.gz CACFFXLEQZUPCZ-XCYUPCBOSA-N 1 0 380.532 4.033 20 0 GIADRO c1cn(-c2ccccc2-c2noc(C3CC[NH+](C4CC4)CC3)n2)nc1C1CC1 ZINC000569559506 822939745 /nfs/dbraw/zinc/93/97/45/822939745.db2.gz MKWQCIUDCGHFIR-UHFFFAOYSA-N 1 0 375.476 4.142 20 0 GIADRO O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)N1CCC(OCC2CCCC2)CC1 ZINC000175341579 822940017 /nfs/dbraw/zinc/94/00/17/822940017.db2.gz QABAQJJUDUKPDZ-QHCPKHFHSA-N 1 0 399.579 4.204 20 0 GIADRO CC1(C)OCc2cc(C[NH+]3CCC([C@@H](O)c4ccc(F)cc4)CC3)ccc2O1 ZINC000186702852 822940783 /nfs/dbraw/zinc/94/07/83/822940783.db2.gz GFSVZKKQZDZURT-QFIPXVFZSA-N 1 0 385.479 4.416 20 0 GIADRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)C1(Oc2ccc(Cl)cc2)CC1 ZINC000569574751 822941613 /nfs/dbraw/zinc/94/16/13/822941613.db2.gz NMVMWEYOPBTKAI-UHFFFAOYSA-N 1 0 398.934 4.075 20 0 GIADRO C[C@H]1CN(c2ccc(C[NH2+]Cc3ccc(F)c(-c4cccs4)c3)cn2)CCO1 ZINC000055171378 822943198 /nfs/dbraw/zinc/94/31/98/822943198.db2.gz LRFALFOAWYKEJB-INIZCTEOSA-N 1 0 397.519 4.464 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)Nc2ccc3c(c2)OC(C)(C)O3)CC1 ZINC000175356695 822944332 /nfs/dbraw/zinc/94/43/32/822944332.db2.gz QJTQGCCKGVDWQS-UHFFFAOYSA-N 1 0 395.503 4.322 20 0 GIADRO CCOc1cc(C[NH2+]C2CC(C(F)(F)F)C2)cc(Br)c1OC ZINC000569616377 822945271 /nfs/dbraw/zinc/94/52/71/822945271.db2.gz NBLFBPCZCFXJAD-UHFFFAOYSA-N 1 0 382.220 4.287 20 0 GIADRO COC(=O)c1ccc(C[NH2+]Cc2ccc(Br)cc2SC)cc1 ZINC000569626148 822946628 /nfs/dbraw/zinc/94/66/28/822946628.db2.gz YJXXRNFBVFFRMH-UHFFFAOYSA-N 1 0 380.307 4.247 20 0 GIADRO CC[NH+](CC)CCOc1cc(NC(=O)N2CCC[C@H]3CCC[C@H]32)ccc1OC ZINC000175363869 822947187 /nfs/dbraw/zinc/94/71/87/822947187.db2.gz QSYNWQNKTLCZAT-IEBWSBKVSA-N 1 0 389.540 4.212 20 0 GIADRO CC[NH+](CC)CCOc1cc(NC(=O)N2CCC[C@H]3CCC[C@@H]32)ccc1OC ZINC000175363833 822947286 /nfs/dbraw/zinc/94/72/86/822947286.db2.gz QSYNWQNKTLCZAT-MJGOQNOKSA-N 1 0 389.540 4.212 20 0 GIADRO COc1cc(C)c(NC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1F ZINC000186737322 822947566 /nfs/dbraw/zinc/94/75/66/822947566.db2.gz UPIRKBZOTHFMLO-IRXDYDNUSA-N 1 0 377.504 4.261 20 0 GIADRO CSC1(CNC(=O)N[C@@H](c2ccccc2)C2CCCC2)CC[NH+](C)CC1 ZINC000569634997 822948051 /nfs/dbraw/zinc/94/80/51/822948051.db2.gz KNYGEYVYVJYESK-IBGZPJMESA-N 1 0 375.582 4.045 20 0 GIADRO COc1ccc2c(c1)CCC[C@@H]2N(C)C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000569637710 822948456 /nfs/dbraw/zinc/94/84/56/822948456.db2.gz HWRFPHUISGDWRV-QHCPKHFHSA-N 1 0 378.516 4.441 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)c2sc(-c3ncccn3)nc2C)c1 ZINC000055283652 822949286 /nfs/dbraw/zinc/94/92/86/822949286.db2.gz KYGGVXRDCWQJMO-UHFFFAOYSA-N 1 0 381.505 4.003 20 0 GIADRO C[C@H]([NH2+]CCc1ccc(OCC(F)(F)F)nc1)c1ccc2ccccc2n1 ZINC000186751488 822949533 /nfs/dbraw/zinc/94/95/33/822949533.db2.gz HFOPFRRKZBFNFC-AWEZNQCLSA-N 1 0 375.394 4.464 20 0 GIADRO COc1ccc(CC[N@@H+](Cc2ccsc2)C[C@H](O)C(C)(C)C)cc1OC ZINC000569646530 822949802 /nfs/dbraw/zinc/94/98/02/822949802.db2.gz ABRBJMYJILEYIO-FQEVSTJZSA-N 1 0 377.550 4.217 20 0 GIADRO CC(C)c1ccc(-c2noc(CCC(=O)NCCC[NH+]3CCCCCC3)n2)cc1 ZINC000055290100 822950006 /nfs/dbraw/zinc/95/00/06/822950006.db2.gz RIMZSFTWARGUNT-UHFFFAOYSA-N 1 0 398.551 4.175 20 0 GIADRO COC(=O)N1CCC([C@@H](C)[NH2+][C@H](C)c2ccc(Br)s2)CC1 ZINC000186758530 822950406 /nfs/dbraw/zinc/95/04/06/822950406.db2.gz LBPABQVJHJIWKF-GHMZBOCLSA-N 1 0 375.332 4.028 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)C2CCN(C(=O)OC)CC2)cc1OCC ZINC000186763152 822951239 /nfs/dbraw/zinc/95/12/39/822951239.db2.gz BQTLSKCKJYTEQB-JKSUJKDBSA-N 1 0 378.513 4.002 20 0 GIADRO COc1ccc(C[C@H]2CCC[N@H+](CC(=O)N(C)[C@H](C)c3ccccc3)C2)cc1 ZINC000569657099 822951256 /nfs/dbraw/zinc/95/12/56/822951256.db2.gz ZDVZBMYQNGGXCR-TZIWHRDSSA-N 1 0 380.532 4.169 20 0 GIADRO COC(=O)N1CCC([C@@H](C)[NH2+][C@H](C)c2sc(-c3cccnc3)nc2C)CC1 ZINC000186766107 822951817 /nfs/dbraw/zinc/95/18/17/822951817.db2.gz VGNKNEOGVXALPH-ZIAGYGMSSA-N 1 0 388.537 4.031 20 0 GIADRO COC(=O)N1CCC([C@H](C)[NH2+][C@H](C)CCc2ccc(OC(F)F)cc2)CC1 ZINC000186768255 822952001 /nfs/dbraw/zinc/95/20/01/822952001.db2.gz BPLDWZNDINWNFY-CABCVRRESA-N 1 0 384.467 4.066 20 0 GIADRO Cc1cccc(Oc2ncccc2NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1C ZINC000175379619 822952204 /nfs/dbraw/zinc/95/22/04/822952204.db2.gz ALXFXZDIVRFKJO-AEFFLSMTSA-N 1 0 382.508 4.437 20 0 GIADRO Cc1ccc(NC(=O)C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)cc1 ZINC000055340792 822953356 /nfs/dbraw/zinc/95/33/56/822953356.db2.gz NRZPUWOYYKLODL-UHFFFAOYSA-N 1 0 393.531 4.014 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCc2cccc3c2CCCN3)CC1 ZINC000569676926 822954133 /nfs/dbraw/zinc/95/41/33/822954133.db2.gz OJJKTVJRXKXADD-GOSISDBHSA-N 1 0 392.547 4.070 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(N(C)Cc3ccccc3)cc2)CC[N@@H+]1C ZINC000175387970 822955058 /nfs/dbraw/zinc/95/50/58/822955058.db2.gz ILZBPBPDESHIAN-XMSQKQJNSA-N 1 0 380.536 4.269 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(N(C)Cc3ccccc3)cc2)CC[N@@H+]1C ZINC000175388027 822955199 /nfs/dbraw/zinc/95/51/99/822955199.db2.gz ILZBPBPDESHIAN-AVRDEDQJSA-N 1 0 380.536 4.269 20 0 GIADRO COc1ccc2c(c1)CN(C(=O)C[C@@H]1CCCC[C@@H]1[NH3+])[C@@H](c1ccccc1)C2 ZINC000569694682 822956081 /nfs/dbraw/zinc/95/60/81/822956081.db2.gz MDZUKWVQRQWORY-AJSBUHFISA-N 1 0 378.516 4.229 20 0 GIADRO O=C(NC1CC[NH+](CC2CCCC2)CC1)N1CCC(c2ccsc2)CC1 ZINC000186793135 822956182 /nfs/dbraw/zinc/95/61/82/822956182.db2.gz YQFSALFPTOGSEQ-UHFFFAOYSA-N 1 0 375.582 4.292 20 0 GIADRO CCCC[NH+]1CCC(NC(=O)C2(Cc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000186799821 822957386 /nfs/dbraw/zinc/95/73/86/822957386.db2.gz NBIKMEQALZYLBZ-UHFFFAOYSA-N 1 0 382.470 4.409 20 0 GIADRO CN(CCC[N@H+](C)Cc1ccco1)Cc1nc2cc(C(F)(F)F)ccc2o1 ZINC000569717293 822958592 /nfs/dbraw/zinc/95/85/92/822958592.db2.gz FIAMNQSWJOSGID-UHFFFAOYSA-N 1 0 381.398 4.394 20 0 GIADRO COC(=O)c1cc2cc(C[N@H+](C)[C@@H](C)c3ccc([S@@](C)=O)cc3)ccc2o1 ZINC000175398598 822958911 /nfs/dbraw/zinc/95/89/11/822958911.db2.gz LROKOOCNVWDXIQ-PGGUUEOZSA-N 1 0 385.485 4.150 20 0 GIADRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)Cc1coc(-c2ccc(F)cc2)n1 ZINC000186812886 822959367 /nfs/dbraw/zinc/95/93/67/822959367.db2.gz YSWOKINNIQKJDV-UHFFFAOYSA-N 1 0 387.499 4.184 20 0 GIADRO CC(C)Cc1ccc([C@@H](CNC(=O)N2CCC(OC(C)C)CC2)[NH+](C)C)cc1 ZINC000569726008 822959438 /nfs/dbraw/zinc/95/94/38/822959438.db2.gz QWCPUMGBZWJRNR-JOCHJYFZSA-N 1 0 389.584 4.087 20 0 GIADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C(C)(C)c3ccc(Cl)cc3)cc2)CC1 ZINC000055417820 822959530 /nfs/dbraw/zinc/95/95/30/822959530.db2.gz AXGJUCXLYKGRBA-UHFFFAOYSA-N 1 0 385.939 4.398 20 0 GIADRO CC(C)=CC(=O)NCc1ccc(C(=O)NC(C)(C)CC[NH+]2CCCCCC2)cc1 ZINC000186813219 822959654 /nfs/dbraw/zinc/95/96/54/822959654.db2.gz NHAIOOVGVZXXCK-UHFFFAOYSA-N 1 0 399.579 4.044 20 0 GIADRO [NH3+]C[C@@H](C(=O)N(Cc1ccccc1C(F)(F)F)C1CC1)c1ccc(F)cc1 ZINC000569728563 822959693 /nfs/dbraw/zinc/95/96/93/822959693.db2.gz RPIQSVRDQBHSJL-QGZVFWFLSA-N 1 0 380.385 4.078 20 0 GIADRO COC[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccc(OC)cc1)c1cccc(Cl)c1 ZINC000569736108 822960889 /nfs/dbraw/zinc/96/08/89/822960889.db2.gz QHNXEWCISQWLPC-IFXJQAMLSA-N 1 0 376.884 4.043 20 0 GIADRO COc1cc(C)c(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1F ZINC000186822521 822961439 /nfs/dbraw/zinc/96/14/39/822961439.db2.gz NVITZQUZRHWVJS-QGZVFWFLSA-N 1 0 375.444 4.084 20 0 GIADRO CC(=O)c1cc(NC(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)ccc1C ZINC000569738821 822961525 /nfs/dbraw/zinc/96/15/25/822961525.db2.gz HBOAGGQLMLXZEH-SFHVURJKSA-N 1 0 379.504 4.326 20 0 GIADRO Cc1cc(C(=O)NC2(C(F)(F)F)CC[NH+](C)CC2)sc1-c1ccccc1 ZINC000569739796 822961792 /nfs/dbraw/zinc/96/17/92/822961792.db2.gz RSHIJOOHXXHZAS-UHFFFAOYSA-N 1 0 382.451 4.480 20 0 GIADRO Brc1ccc2c(c1)[C@H]([N@@H+]1CCSC3(CCOCC3)C1)CCC2 ZINC000186825289 822962275 /nfs/dbraw/zinc/96/22/75/822962275.db2.gz FHFLOEBYTJOYPO-QGZVFWFLSA-N 1 0 382.367 4.425 20 0 GIADRO CC(C)c1cc(NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)n(-c2ccccc2)n1 ZINC000569746672 822962697 /nfs/dbraw/zinc/96/26/97/822962697.db2.gz AJTSOJGLBVOUBY-LJQANCHMSA-N 1 0 381.524 4.088 20 0 GIADRO FC(F)(F)c1cccc(OCCC[N@@H+]2CCSC3(CCOCC3)C2)c1 ZINC000186831946 822963628 /nfs/dbraw/zinc/96/36/28/822963628.db2.gz ISBJFHNMRGXKNP-UHFFFAOYSA-N 1 0 375.456 4.072 20 0 GIADRO Cc1ccccc1[C@@H](NC(=O)NC1CC[NH+](Cc2ccncc2)CC1)C(C)(C)C ZINC000175419616 822964236 /nfs/dbraw/zinc/96/42/36/822964236.db2.gz PGZMQJNRFVDKPM-JOCHJYFZSA-N 1 0 394.563 4.441 20 0 GIADRO C[C@H]([NH2+]CC1(N2CCSCC2)CCCCC1)c1ccc(Br)cn1 ZINC000569758367 822964685 /nfs/dbraw/zinc/96/46/85/822964685.db2.gz DQFOZIXSJBSLDT-HNNXBMFYSA-N 1 0 398.414 4.246 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2nnc(C(C)(C)C)s2)[C@H]1c1cccs1 ZINC000175422378 822964840 /nfs/dbraw/zinc/96/48/40/822964840.db2.gz TXBZGIRYEQDZHN-OCCSQVGLSA-N 1 0 393.582 4.102 20 0 GIADRO CC(C)c1c(C(=O)NCC[C@H]2CCC[N@H+](C)C2)cnn1-c1cccc(Cl)c1 ZINC000458180137 822965945 /nfs/dbraw/zinc/96/59/45/822965945.db2.gz YNDJBWWXHURRBO-MRXNPFEDSA-N 1 0 388.943 4.111 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2csc(-c3ncccn3)n2)cc1 ZINC000055459057 822966125 /nfs/dbraw/zinc/96/61/25/822966125.db2.gz PACTYJLGIHKRQO-HNNXBMFYSA-N 1 0 393.516 4.227 20 0 GIADRO CCC(CC)Nc1cc[nH+]cc1NC(=O)c1cc(C2CC2)nc2onc(C)c21 ZINC000569768876 822966303 /nfs/dbraw/zinc/96/63/03/822966303.db2.gz FYKCFHMSHJVZGW-UHFFFAOYSA-N 1 0 379.464 4.078 20 0 GIADRO CSC1(CNC(=O)N[C@@H](CC(C)(C)C)c2ccccc2)CC[NH+](C)CC1 ZINC000569776667 822967272 /nfs/dbraw/zinc/96/72/72/822967272.db2.gz VEPGQCNQKFKWQA-SFHVURJKSA-N 1 0 377.598 4.291 20 0 GIADRO O=C(c1ccc(C[NH2+]Cc2cc(Br)cs2)cc1)N1CCCC1 ZINC000055472642 822967766 /nfs/dbraw/zinc/96/77/66/822967766.db2.gz MTRKYFVFFJQTQQ-UHFFFAOYSA-N 1 0 379.323 4.036 20 0 GIADRO CS(=O)(=O)CCCCC[NH2+][C@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000186852598 822967797 /nfs/dbraw/zinc/96/77/97/822967797.db2.gz BEWDEJMHQZECBW-LJQANCHMSA-N 1 0 383.916 4.373 20 0 GIADRO C[N@@H+]1CCC[C@H](CCNC(=O)CCC(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000458202730 822968294 /nfs/dbraw/zinc/96/82/94/822968294.db2.gz XHXMGAGUFSTSRQ-LJQANCHMSA-N 1 0 378.516 4.165 20 0 GIADRO C[NH+](C)[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)nc2)CC1 ZINC000569784809 822968579 /nfs/dbraw/zinc/96/85/79/822968579.db2.gz SCBLSPHEBSHXMS-QGZVFWFLSA-N 1 0 388.899 4.475 20 0 GIADRO C[N@@H+]1CCC[C@H](CCNC(=O)C2(c3cc(C(F)(F)F)ccc3Cl)CC2)C1 ZINC000458208862 822969196 /nfs/dbraw/zinc/96/91/96/822969196.db2.gz JXAVXHBILQASLF-CYBMUJFWSA-N 1 0 388.861 4.239 20 0 GIADRO CS(=O)(=O)CCCCC[NH2+][C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000186860459 822969724 /nfs/dbraw/zinc/96/97/24/822969724.db2.gz CBUYOBOHRSKXNS-FQEVSTJZSA-N 1 0 381.488 4.053 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)c2c(F)ccc(F)c2F)CC[N@@H+]1Cc1ccccc1 ZINC000186869210 822971410 /nfs/dbraw/zinc/97/14/10/822971410.db2.gz NZQLODQNDJXTMC-ZBFHGGJFSA-N 1 0 376.422 4.229 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]CCCCCS(C)(=O)=O ZINC000186868089 822971418 /nfs/dbraw/zinc/97/14/18/822971418.db2.gz SHXCBRGTPUHXGO-HNNXBMFYSA-N 1 0 380.579 4.292 20 0 GIADRO CC(C)=CCC[C@@H](C)CC(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000569812497 822971906 /nfs/dbraw/zinc/97/19/06/822971906.db2.gz JGPAMKDHRQEOJC-GOSISDBHSA-N 1 0 385.552 4.095 20 0 GIADRO c1ccc(-c2noc([C@@H](c3ccccc3)N3CC[C@H](C[NH+]4CCCC4)C3)n2)cc1 ZINC000175451967 822972297 /nfs/dbraw/zinc/97/22/97/822972297.db2.gz HRXFEZVDWMUBRO-DENIHFKCSA-N 1 0 388.515 4.244 20 0 GIADRO C[N@@H+]1CCC[C@H](CCNC(=O)[C@H]2CCCO[C@@H]2c2ccc(Cl)cc2Cl)C1 ZINC000458237661 822972365 /nfs/dbraw/zinc/97/23/65/822972365.db2.gz ZIKKTMSNTZWELK-DKSSEZFCSA-N 1 0 399.362 4.309 20 0 GIADRO C[N@@H+]1CCC[C@H](CCNC(=O)Cc2csc3ccc(Br)cc23)C1 ZINC000458238239 822972589 /nfs/dbraw/zinc/97/25/89/822972589.db2.gz ZWZJMYQBEGVRQB-CYBMUJFWSA-N 1 0 395.366 4.054 20 0 GIADRO C[C@H]([NH2+]C[C@H](C1CC1)N(C)Cc1ccccc1)c1ccc(N2CCOC2=O)cc1 ZINC000186876684 822972855 /nfs/dbraw/zinc/97/28/55/822972855.db2.gz OCPQLMOYFLHZES-FDDCHVKYSA-N 1 0 393.531 4.204 20 0 GIADRO Cc1ccc(NC(=O)[C@@H](C)c2cn(C)c3ccccc23)c(OCC[NH+](C)C)c1 ZINC000186879983 822973629 /nfs/dbraw/zinc/97/36/29/822973629.db2.gz JOSYKJFXAWKJQO-KRWDZBQOSA-N 1 0 379.504 4.169 20 0 GIADRO CC(C)(C[NH2+]C[C@@H](O)COC(c1ccccc1)c1ccccc1)c1cccnc1 ZINC000569837273 822974245 /nfs/dbraw/zinc/97/42/45/822974245.db2.gz LCQWGIDXFPXPDL-HSZRJFAPSA-N 1 0 390.527 4.116 20 0 GIADRO Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(C[NH+](C)C)c(C)c3)cc2)n1 ZINC000458263263 822975322 /nfs/dbraw/zinc/97/53/22/822975322.db2.gz AYVBLYNUWGPGCP-UHFFFAOYSA-N 1 0 376.504 4.171 20 0 GIADRO Cc1cc(NC(=O)c2ccc(CNC(=O)C3CCCC3)cc2)ccc1C[NH+](C)C ZINC000458266078 822975474 /nfs/dbraw/zinc/97/54/74/822975474.db2.gz DADZIDBZBKPVKC-UHFFFAOYSA-N 1 0 393.531 4.115 20 0 GIADRO COc1ccc(Oc2ccc(CCNC(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)cc1 ZINC000569852582 822976138 /nfs/dbraw/zinc/97/61/38/822976138.db2.gz SMEXWGQVCWNKFN-IHWFROFDSA-N 1 0 394.515 4.067 20 0 GIADRO C[NH+](C)Cc1cc(CNC(=O)N2CCC(c3ccsc3)CC2)ccc1F ZINC000186896319 822976188 /nfs/dbraw/zinc/97/61/88/822976188.db2.gz NYDAZHLHUNTQRO-UHFFFAOYSA-N 1 0 375.513 4.038 20 0 GIADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)Nc1ccc(OCC(F)(F)F)c(F)c1 ZINC000569858606 822977179 /nfs/dbraw/zinc/97/71/79/822977179.db2.gz QHLILUKHYPTZPZ-GFCCVEGCSA-N 1 0 379.398 4.009 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)C[C@H](c2ccccc2)C(F)(F)F)cc1F ZINC000458281012 822977567 /nfs/dbraw/zinc/97/75/67/822977567.db2.gz GXXLNPLEYVIYOZ-MRXNPFEDSA-N 1 0 398.400 4.441 20 0 GIADRO Cc1cc(NC(=O)c2cnn(C(C)(C)C)c2C(F)(F)F)ccc1C[NH+](C)C ZINC000458282330 822977584 /nfs/dbraw/zinc/97/75/84/822977584.db2.gz LYMSTWIYPUMXRP-UHFFFAOYSA-N 1 0 382.430 4.279 20 0 GIADRO Cc1cc(NC(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)ccc1C[NH+](C)C ZINC000458285835 822978457 /nfs/dbraw/zinc/97/84/57/822978457.db2.gz OCLYWAUMMBQJCG-UHFFFAOYSA-N 1 0 398.894 4.331 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@@H](c1cccnc1)C(C)C ZINC000175478937 822978635 /nfs/dbraw/zinc/97/86/35/822978635.db2.gz UWXIDONULVPEPH-JOCHJYFZSA-N 1 0 382.552 4.115 20 0 GIADRO COc1cc(C[NH2+]CC[C@@H](c2ccccc2)C(F)(F)F)cc2c1OCCO2 ZINC000569871449 822978839 /nfs/dbraw/zinc/97/88/39/822978839.db2.gz VQGRRIKEHLPHIQ-INIZCTEOSA-N 1 0 381.394 4.292 20 0 GIADRO CSc1nc(-c2ccco2)nc(C)c1C(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000458296412 822979992 /nfs/dbraw/zinc/97/99/92/822979992.db2.gz XLDRZWGSOJTZAI-UHFFFAOYSA-N 1 0 396.516 4.389 20 0 GIADRO CC(C)[C@H]1CCC[C@@H](NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000458296242 822979995 /nfs/dbraw/zinc/97/99/95/822979995.db2.gz QWDQGSRZNUNOMH-JKSUJKDBSA-N 1 0 377.495 4.259 20 0 GIADRO Cc1ccc(Br)c(C(=O)Nc2ccc(OCC[NH+](C)C)c(F)c2)c1 ZINC000458301209 822980534 /nfs/dbraw/zinc/98/05/34/822980534.db2.gz VRAFAUZSMJEGPT-UHFFFAOYSA-N 1 0 395.272 4.089 20 0 GIADRO CC[C@@H](NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1)c1nc(C)cs1 ZINC000458303410 822980878 /nfs/dbraw/zinc/98/08/78/822980878.db2.gz ATDPFWFYNWVRCS-QFBILLFUSA-N 1 0 386.565 4.066 20 0 GIADRO CCC[N@H+](CC)C[C@H](C)NC(=O)Nc1ccc(C)cc1-c1nc(C2CC2)no1 ZINC000569891627 822981408 /nfs/dbraw/zinc/98/14/08/822981408.db2.gz BSVYEVGDLBUSDL-HNNXBMFYSA-N 1 0 385.512 4.164 20 0 GIADRO Cn1cc([C@H](NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c2ccccc2)cn1 ZINC000569891936 822981623 /nfs/dbraw/zinc/98/16/23/822981623.db2.gz HCZQSINOGNWJEI-WIOPSUGQSA-N 1 0 388.559 4.401 20 0 GIADRO CSc1ccc(C[N@H+](C)[C@@H](C)c2ccc(N3CCCS3(=O)=O)cc2)s1 ZINC000569895670 822982285 /nfs/dbraw/zinc/98/22/85/822982285.db2.gz QTAVEQXUFJYQGE-AWEZNQCLSA-N 1 0 396.603 4.203 20 0 GIADRO CSc1ccc(C[N@H+](C)[C@H](C)c2ccc(N3CCCS3(=O)=O)cc2)s1 ZINC000569895672 822982375 /nfs/dbraw/zinc/98/23/75/822982375.db2.gz QTAVEQXUFJYQGE-CQSZACIVSA-N 1 0 396.603 4.203 20 0 GIADRO O[C@@H](C[NH+]1CCC(O)(Cc2cccc(F)c2)CC1)c1ccc(Cl)cc1Cl ZINC000186946683 822984723 /nfs/dbraw/zinc/98/47/23/822984723.db2.gz RDAARVQRSRAJTR-IBGZPJMESA-N 1 0 398.305 4.236 20 0 GIADRO C[C@@H]1C[C@@H](Nc2ccc(F)c(N3CCCNC3=O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000569916510 822985455 /nfs/dbraw/zinc/98/54/55/822985455.db2.gz MDVNNQXBYHPJIY-XLIONFOSSA-N 1 0 396.510 4.210 20 0 GIADRO C[C@H](c1cccc(O)c1)N(C)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000175506728 822985815 /nfs/dbraw/zinc/98/58/15/822985815.db2.gz QBBYCCRDVUWMMZ-SYNHAJSKSA-N 1 0 387.549 4.239 20 0 GIADRO CCN(Cc1cccs1)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000175507678 822986068 /nfs/dbraw/zinc/98/60/68/822986068.db2.gz VNXNSXBDAPAVJV-YJBOKZPZSA-N 1 0 377.579 4.424 20 0 GIADRO O=C(c1cccc(Oc2cccc(C(F)(F)F)c2)c1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000569928205 822986547 /nfs/dbraw/zinc/98/65/47/822986547.db2.gz DILNQOMYKYZDPC-CVEARBPZSA-N 1 0 390.405 4.179 20 0 GIADRO Cc1noc(C)c1C(=O)C(C(=S)Nc1cccc(Cl)c1)[n+]1ccccc1 ZINC000186956731 822986741 /nfs/dbraw/zinc/98/67/41/822986741.db2.gz KRKBXINGZJWMPB-UHFFFAOYSA-O 1 0 386.884 4.283 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000186959011 822987256 /nfs/dbraw/zinc/98/72/56/822987256.db2.gz PQRLXQMAEMYGLQ-GOSISDBHSA-N 1 0 395.547 4.132 20 0 GIADRO Cc1nc2cc(NC(=O)NC[C@@H]3CCC[N@@H+](C)[C@@H]3c3cccs3)ccc2o1 ZINC000175511094 822987342 /nfs/dbraw/zinc/98/73/42/822987342.db2.gz NWRKTLUMDBRRTL-LIRRHRJNSA-N 1 0 384.505 4.402 20 0 GIADRO CCO[C@@H]1CCN(C(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCCC2)C[C@H]1C ZINC000458368255 822987688 /nfs/dbraw/zinc/98/76/88/822987688.db2.gz ISIHXWZSTWXMIX-SFHLNBCPSA-N 1 0 387.568 4.107 20 0 GIADRO CCc1nc(C)c([C@@H](C)N(C)C(=O)NCCCC[NH+]2CCC(C)CC2)s1 ZINC000175512239 822987835 /nfs/dbraw/zinc/98/78/35/822987835.db2.gz CDMHLSZBYLGKRD-QGZVFWFLSA-N 1 0 380.602 4.228 20 0 GIADRO C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc3c(c2)CCC(=O)N3C)CCN1Cc1ccccc1 ZINC000186961718 822987868 /nfs/dbraw/zinc/98/78/68/822987868.db2.gz ZYFMEYLYFTUYDT-XXBNENTESA-N 1 0 391.559 4.081 20 0 GIADRO CCSCC[C@H](C)N(C)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000175513469 822988091 /nfs/dbraw/zinc/98/80/91/822988091.db2.gz AFBVXFSFICOSLM-JZXOWHBKSA-N 1 0 383.627 4.304 20 0 GIADRO C[C@H](c1ccc(F)cc1)N1CC[C@@H](N[C@@H](C)c2ncc(-c3ccccc3)o2)C1=O ZINC000569944826 822988279 /nfs/dbraw/zinc/98/82/79/822988279.db2.gz HGNYCBNFYVIYGS-RZQQEMMASA-N 1 0 393.462 4.493 20 0 GIADRO CC[C@H](c1ccncc1)N(C)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000175517064 822988960 /nfs/dbraw/zinc/98/89/60/822988960.db2.gz WUNZNVLELZYENV-GGPKGHCWSA-N 1 0 386.565 4.319 20 0 GIADRO c1c(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000569972485 822991450 /nfs/dbraw/zinc/99/14/50/822991450.db2.gz YXYAUEHIXPGLGU-NFBKMPQASA-N 1 0 388.515 4.325 20 0 GIADRO Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000175531263 822991935 /nfs/dbraw/zinc/99/19/35/822991935.db2.gz ZENKQSVLDOFRHJ-LJQANCHMSA-N 1 0 394.563 4.241 20 0 GIADRO Cc1ccc(NC(=O)C[C@H](C)[NH2+]Cc2cc(C)nc(N3CCCC3)c2)c(C)c1 ZINC000569974610 822992021 /nfs/dbraw/zinc/99/20/21/822992021.db2.gz UYUOYTMGJXOCKL-SFHVURJKSA-N 1 0 380.536 4.114 20 0 GIADRO CC(=O)Nc1sc(NC(=O)c2ccc(C[NH+](C)C)cc2)nc1-c1ccccc1 ZINC000187006992 822996164 /nfs/dbraw/zinc/99/61/64/822996164.db2.gz NCXRRTUSBKEBBS-UHFFFAOYSA-N 1 0 394.500 4.082 20 0 GIADRO Cc1nccn1CCC[N@@H+](C)Cc1cc(C)c(OCc2ccccn2)c(C)c1 ZINC000570009351 822996247 /nfs/dbraw/zinc/99/62/47/822996247.db2.gz ZELGUKUOLTVMIK-UHFFFAOYSA-N 1 0 378.520 4.304 20 0 GIADRO CCC[N@@H+]1CC[C@H](CNC(=O)N(CCc2ccc(C)cc2)Cc2ccco2)C1 ZINC000175554338 822996337 /nfs/dbraw/zinc/99/63/37/822996337.db2.gz FYKXPBNXGKNPMN-OAQYLSRUSA-N 1 0 383.536 4.074 20 0 GIADRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)Nc1ccc2c(c1)CCCC(=O)N2 ZINC000187020583 822998889 /nfs/dbraw/zinc/99/88/89/822998889.db2.gz QIFLNQOWBZWJFL-UHFFFAOYSA-N 1 0 386.540 4.128 20 0 GIADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N(C[C@H]1CCCO1)C1CCCC1 ZINC000175574288 823000511 /nfs/dbraw/zinc/00/05/11/823000511.db2.gz VAZHQXZDNOSPGQ-MOPGFXCFSA-N 1 0 391.581 4.018 20 0 GIADRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)Cc1coc2ccccc12 ZINC000570067442 823002675 /nfs/dbraw/zinc/00/26/75/823002675.db2.gz SOTKRYZTWFSCAR-QZTJIDSGSA-N 1 0 376.500 4.248 20 0 GIADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N[C@H]1CCc2ccc(-c3ccccc3)cc21 ZINC000187049038 823003677 /nfs/dbraw/zinc/00/36/77/823003677.db2.gz VAGZCXSWILAXTG-HXOBKFHXSA-N 1 0 375.516 4.124 20 0 GIADRO COc1ccc(CCC[NH2+][C@H](C)c2ncc(Br)cc2F)cc1OC ZINC000187067312 823006155 /nfs/dbraw/zinc/00/61/55/823006155.db2.gz BFFDKFUPDNBYHN-GFCCVEGCSA-N 1 0 397.288 4.284 20 0 GIADRO COc1ccc(CCC[NH2+][C@@H](C)c2ncc(Br)cc2F)cc1OC ZINC000187067295 823006160 /nfs/dbraw/zinc/00/61/60/823006160.db2.gz BFFDKFUPDNBYHN-LBPRGKRZSA-N 1 0 397.288 4.284 20 0 GIADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000570109218 823006418 /nfs/dbraw/zinc/00/64/18/823006418.db2.gz MAENJOOXECSBDC-SFHVURJKSA-N 1 0 395.503 4.196 20 0 GIADRO C[C@H]([NH2+]CCCc1nc2ccccc2[nH]1)c1ncc(Br)cc1F ZINC000187071831 823006573 /nfs/dbraw/zinc/00/65/73/823006573.db2.gz KYNWYIJWANKAER-NSHDSACASA-N 1 0 377.261 4.143 20 0 GIADRO CN1C(=O)CCc2cc(C[N@@H+]3CCC[C@@H](c4nc5c(s4)CCCC5)C3)ccc21 ZINC000187083070 823008152 /nfs/dbraw/zinc/00/81/52/823008152.db2.gz QJEBTLSFUPCYFX-GOSISDBHSA-N 1 0 395.572 4.311 20 0 GIADRO C[C@@H]([NH2+]C[C@H]1CC2c3ccccc3C1c1ccccc12)C1CCS(=O)(=O)CC1 ZINC000187083798 823008322 /nfs/dbraw/zinc/00/83/22/823008322.db2.gz QHCKDQXUUQJGDP-JETRAIAFSA-N 1 0 395.568 4.087 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH2+]C[C@H](c1ccco1)N1CCCC1 ZINC000187092283 823009680 /nfs/dbraw/zinc/00/96/80/823009680.db2.gz VYZCZHOPWHQTEE-OAQYLSRUSA-N 1 0 377.488 4.277 20 0 GIADRO CCCN(C[C@@H]1CCCCO1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000175628899 823009700 /nfs/dbraw/zinc/00/97/00/823009700.db2.gz HTPOEXRSXHXTMA-HJNYFJLDSA-N 1 0 387.568 4.030 20 0 GIADRO Cc1nc([C@H]2CCCN2C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)cs1 ZINC000187097880 823010256 /nfs/dbraw/zinc/01/02/56/823010256.db2.gz PQCGXZOMBBHPBA-DNVCBOLYSA-N 1 0 386.565 4.427 20 0 GIADRO C[C@@H]([NH2+][C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1)c1ccc(-n2cnnn2)cc1 ZINC000570150710 823010438 /nfs/dbraw/zinc/01/04/38/823010438.db2.gz DXIBIQCRQNEGBJ-MZMPZRCHSA-N 1 0 387.409 4.278 20 0 GIADRO C[C@H](NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1cccc(OC(F)(F)F)c1 ZINC000175636098 823010632 /nfs/dbraw/zinc/01/06/32/823010632.db2.gz FEWIJDFJKPXPRQ-RDJZCZTQSA-N 1 0 399.457 4.306 20 0 GIADRO [NH3+]C1(c2noc(/C=C\c3ccc(OC(F)F)cc3OC(F)F)n2)CCCC1 ZINC000570160748 823011344 /nfs/dbraw/zinc/01/13/44/823011344.db2.gz IHBVWJLFICMXKZ-XQRVVYSFSA-N 1 0 387.333 4.171 20 0 GIADRO Cc1ccc([C@@H](CN[C@@H](C)c2ncc(Br)cc2F)[NH+](C)C)cc1 ZINC000187109919 823011645 /nfs/dbraw/zinc/01/16/45/823011645.db2.gz WPQJTFSJIXRRFW-SUMWQHHRSA-N 1 0 380.305 4.245 20 0 GIADRO CC(C)COC(=O)Nc1cccc(NC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000175644328 823012006 /nfs/dbraw/zinc/01/20/06/823012006.db2.gz JUNPEHIPJKMNAO-IBGZPJMESA-N 1 0 390.528 4.229 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)CCc2ncc(C(C)(C)C)o2)CC[N@@H+]1Cc1ccccc1 ZINC000187113817 823012443 /nfs/dbraw/zinc/01/24/43/823012443.db2.gz URLUNFYLVALVFL-ICSRJNTNSA-N 1 0 397.563 4.416 20 0 GIADRO CCCCOc1ccc(C[NH2+]Cc2c(C)nn(-c3ccccn3)c2C)cc1OC ZINC000570178485 823012606 /nfs/dbraw/zinc/01/26/06/823012606.db2.gz HGQBFYPBBDHBSO-UHFFFAOYSA-N 1 0 394.519 4.361 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH2+]CCc1cnn(-c2ccccc2)c1 ZINC000187114505 823012646 /nfs/dbraw/zinc/01/26/46/823012646.db2.gz ZUOYTHQDFKFPNY-UHFFFAOYSA-N 1 0 384.483 4.275 20 0 GIADRO C[NH+](C)CCCOC1CCN(C(=O)N[C@H](c2ccccc2)C2CCCC2)CC1 ZINC000175654147 823013472 /nfs/dbraw/zinc/01/34/72/823013472.db2.gz YSDFYFLJYGYSBJ-JOCHJYFZSA-N 1 0 387.568 4.060 20 0 GIADRO CC[C@H]([NH2+]Cc1ccc(OC)c(OC)c1C)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000570195701 823014167 /nfs/dbraw/zinc/01/41/67/823014167.db2.gz VSGSUCMLKISHJJ-RBBKRZOGSA-N 1 0 394.519 4.070 20 0 GIADRO COc1ccc(-c2ccncc2)cc1CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000187125400 823014225 /nfs/dbraw/zinc/01/42/25/823014225.db2.gz DOLDKVMBZAMVJI-NFBKMPQASA-N 1 0 377.532 4.206 20 0 GIADRO CSC1(CNC(=O)Nc2cnn(CCC(C)C)c2C(C)C)CC[NH+](C)CC1 ZINC000570205442 823015126 /nfs/dbraw/zinc/01/51/26/823015126.db2.gz CDWLKHURMRLKRK-UHFFFAOYSA-N 1 0 395.617 4.002 20 0 GIADRO CC(=O)N(c1nc(CN2CCC[C@H]([NH+](C)C)C2)cs1)c1ccc(Cl)cc1 ZINC000175664502 823015654 /nfs/dbraw/zinc/01/56/54/823015654.db2.gz CFSCPAGPLHAWHH-SFHVURJKSA-N 1 0 392.956 4.007 20 0 GIADRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1cccc(Oc2ccncc2)c1 ZINC000175667830 823016450 /nfs/dbraw/zinc/01/64/50/823016450.db2.gz DFWVYKKXUNNQNO-UHFFFAOYSA-N 1 0 381.501 4.139 20 0 GIADRO CC(C)[C@H]([NH2+][C@@H](C)C1CCS(=O)(=O)CC1)c1cccc(C(F)(F)F)c1 ZINC000187141096 823016851 /nfs/dbraw/zinc/01/68/51/823016851.db2.gz SAHUQFFHFOAVSJ-GUYCJALGSA-N 1 0 377.472 4.205 20 0 GIADRO O=C(NC1CC[NH+](Cc2cccnc2)CC1)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000175670386 823016924 /nfs/dbraw/zinc/01/69/24/823016924.db2.gz HQDCKOGCVIELGZ-BJKOFHAPSA-N 1 0 385.511 4.119 20 0 GIADRO CCS(=O)(=O)c1c(Cl)cccc1CNc1ccc(C[NH+]2CCCC2)cc1 ZINC000187142327 823016993 /nfs/dbraw/zinc/01/69/93/823016993.db2.gz JNXOIADAYRKFLD-UHFFFAOYSA-N 1 0 392.952 4.342 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc2c(c1)CCCN2C ZINC000175672405 823017265 /nfs/dbraw/zinc/01/72/65/823017265.db2.gz TXOTYVHCNXYMBR-HXUWFJFHSA-N 1 0 392.547 4.055 20 0 GIADRO C[N@H+](CC(=O)Nc1ccc(Br)cc1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000570245610 823018458 /nfs/dbraw/zinc/01/84/58/823018458.db2.gz YIOWHIGBEFJSKM-VDISTLRHSA-N 1 0 393.247 4.441 20 0 GIADRO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000175678469 823018529 /nfs/dbraw/zinc/01/85/29/823018529.db2.gz OIMMQXUSLIHONP-XLIONFOSSA-N 1 0 391.540 4.451 20 0 GIADRO CN1C(=O)CCc2cc(C[NH2+]Cc3ccc(Oc4cccnc4)c(F)c3)ccc21 ZINC000187162283 823019220 /nfs/dbraw/zinc/01/92/20/823019220.db2.gz LWGBWDPCQUOANJ-UHFFFAOYSA-N 1 0 391.446 4.212 20 0 GIADRO C[C@H]([NH2+]Cc1ccc2c(c1)CCC(=O)N2C)c1ccc(OCC(F)(F)F)cc1 ZINC000187162799 823019551 /nfs/dbraw/zinc/01/95/51/823019551.db2.gz SYNIOQITESIMSF-AWEZNQCLSA-N 1 0 392.421 4.388 20 0 GIADRO CC[C@H](C)n1nc(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)cc1C ZINC000570254761 823019860 /nfs/dbraw/zinc/01/98/60/823019860.db2.gz ODORBVRLLFIEEE-RXVVDRJESA-N 1 0 382.552 4.195 20 0 GIADRO Cc1cc(C(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)ccc1NC(=O)CC(C)C ZINC000187176883 823021073 /nfs/dbraw/zinc/02/10/73/823021073.db2.gz MIYPFGXUWJOIHA-JPYJTQIMSA-N 1 0 395.547 4.401 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1C ZINC000175691725 823021558 /nfs/dbraw/zinc/02/15/58/823021558.db2.gz YXRBMGCHQKKIJD-HXUWFJFHSA-N 1 0 394.519 4.082 20 0 GIADRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)Nc1ccc(OC)cc1C(F)(F)F ZINC000570284892 823022313 /nfs/dbraw/zinc/02/23/13/823022313.db2.gz MQIIXLLPPHXYNS-AWEZNQCLSA-N 1 0 387.446 4.490 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)CC1 ZINC000175700289 823023185 /nfs/dbraw/zinc/02/31/85/823023185.db2.gz GMQIRCPUFPPWJL-UXHICEINSA-N 1 0 384.470 4.191 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)c2cc(Br)cs2)CC1 ZINC000175702248 823023338 /nfs/dbraw/zinc/02/33/38/823023338.db2.gz IAEKXWPFTCASSS-UHFFFAOYSA-N 1 0 393.350 4.247 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)c2coc(-c3ccccc3)n2)CC1 ZINC000175703610 823023765 /nfs/dbraw/zinc/02/37/65/823023765.db2.gz AWPFDRXXUPERPL-UHFFFAOYSA-N 1 0 375.472 4.078 20 0 GIADRO C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]CCc1nc2ccccc2n1C(F)F ZINC000570302440 823023785 /nfs/dbraw/zinc/02/37/85/823023785.db2.gz DFYJDJXMOKGIBI-CYBMUJFWSA-N 1 0 390.409 4.120 20 0 GIADRO C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000570304479 823023958 /nfs/dbraw/zinc/02/39/58/823023958.db2.gz BFZYKGLIYRRPAK-BXUZGUMPSA-N 1 0 393.318 4.429 20 0 GIADRO C[C@H](NC(=O)N1CCc2ccccc2[C@@H]1C[NH3+])c1ccccc1C(F)(F)F ZINC000570329211 823026257 /nfs/dbraw/zinc/02/62/57/823026257.db2.gz CFITVQTYHWTVDG-UGSOOPFHSA-N 1 0 377.410 4.034 20 0 GIADRO C[C@@H](NC(=O)N1CCc2ccccc2[C@@H]1C[NH3+])c1ccccc1C(F)(F)F ZINC000570329204 823026317 /nfs/dbraw/zinc/02/63/17/823026317.db2.gz CFITVQTYHWTVDG-ACJLOTCBSA-N 1 0 377.410 4.034 20 0 GIADRO Brc1ccccc1-c1cnc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)o1 ZINC000570329818 823026537 /nfs/dbraw/zinc/02/65/37/823026537.db2.gz UUIZYDQPXSDBHL-PBHICJAKSA-N 1 0 391.309 4.495 20 0 GIADRO COC(=O)CC[C@H]([NH2+]Cc1cccc(Br)c1OC)c1ccccc1 ZINC000187220656 823026779 /nfs/dbraw/zinc/02/67/79/823026779.db2.gz FRJMZLDDEQAUPW-KRWDZBQOSA-N 1 0 392.293 4.242 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H](C)Cc1ccc(OC)c(OC)c1 ZINC000187222666 823027010 /nfs/dbraw/zinc/02/70/10/823027010.db2.gz QJCPCBVYYMETFS-KRWDZBQOSA-N 1 0 392.499 4.495 20 0 GIADRO O=C(NC1(c2cccc(Cl)c2)CCCC1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000570342671 823027262 /nfs/dbraw/zinc/02/72/62/823027262.db2.gz LTFQYJMURAZVTL-IBGZPJMESA-N 1 0 392.996 4.443 20 0 GIADRO CCOc1ccc(Oc2ccc(NC(=O)[C@@]3([NH3+])C[C@@H](OCC)C3(C)C)cc2)cc1 ZINC000187224189 823027386 /nfs/dbraw/zinc/02/73/86/823027386.db2.gz VRYFFOQBCMXBGE-OFNKIYASSA-N 1 0 398.503 4.349 20 0 GIADRO Cc1oc(-c2ccsc2)nc1CC(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000187229953 823027992 /nfs/dbraw/zinc/02/79/92/823027992.db2.gz SAJRTHINBKSROQ-VBKZILBWSA-N 1 0 383.517 4.062 20 0 GIADRO CC(C)Oc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)cc1 ZINC000570353771 823028214 /nfs/dbraw/zinc/02/82/14/823028214.db2.gz AQTYNBWBSVYJOU-NVXWUHKLSA-N 1 0 386.458 4.458 20 0 GIADRO C[C@H]([NH2+]C[C@@H]1CCCN(C)[C@H]1c1cccs1)c1cccc(-n2ccnn2)c1 ZINC000570353871 823028235 /nfs/dbraw/zinc/02/82/35/823028235.db2.gz DLPQUEQYLQCGLV-DJPFJPOOSA-N 1 0 381.549 4.063 20 0 GIADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]C[C@H]1CCCO[C@H]1C(C)(C)C ZINC000187250266 823030740 /nfs/dbraw/zinc/03/07/40/823030740.db2.gz MZZUHLRWKIUJLQ-CRAIPNDOSA-N 1 0 387.973 4.065 20 0 GIADRO O[C@@H](c1ccc(F)cc1)C1CC[NH+](Cc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000187251735 823030888 /nfs/dbraw/zinc/03/08/88/823030888.db2.gz ZMYDRFIFPHLKJY-QHCPKHFHSA-N 1 0 397.469 4.155 20 0 GIADRO C[C@@H](NC(=O)c1c(F)cc(Br)cc1F)[C@H](c1ccccc1)[NH+](C)C ZINC000187259161 823031817 /nfs/dbraw/zinc/03/18/17/823031817.db2.gz HLZIJSRDIPCMCK-PIGZYNQJSA-N 1 0 397.263 4.149 20 0 GIADRO C[C@H](NC(=O)c1ccc(Oc2cccnc2)cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000187259224 823031917 /nfs/dbraw/zinc/03/19/17/823031917.db2.gz BPYIUYLVXCEREB-HTAPYJJXSA-N 1 0 375.472 4.295 20 0 GIADRO O[C@H](C[NH2+]Cc1coc(-c2cccs2)n1)Cc1ccc(C(F)(F)F)cc1 ZINC000570391160 823032472 /nfs/dbraw/zinc/03/24/72/823032472.db2.gz MGWJYKDAENTNDJ-HNNXBMFYSA-N 1 0 382.407 4.115 20 0 GIADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CCc1c[nH]c2c1cccc2C ZINC000187263465 823032574 /nfs/dbraw/zinc/03/25/74/823032574.db2.gz LUKXFKPQMXXSQE-UHFFFAOYSA-N 1 0 390.936 4.256 20 0 GIADRO CC(C)[C@H](C(=O)NCc1ccc(Oc2ccccc2C(F)(F)F)nc1)[C@@H](C)[NH3+] ZINC000570393881 823032691 /nfs/dbraw/zinc/03/26/91/823032691.db2.gz RZTMNUULVXNOOA-ACJLOTCBSA-N 1 0 395.425 4.128 20 0 GIADRO C[NH2+]CCC1CCN(C(=O)c2cc3ccccc3n2Cc2ccccc2F)CC1 ZINC000570406006 823033560 /nfs/dbraw/zinc/03/35/60/823033560.db2.gz KUSMEYSYLPQXEY-UHFFFAOYSA-N 1 0 393.506 4.290 20 0 GIADRO COc1c(Br)cccc1C[NH2+][C@H](C)c1cccc(-n2ccnc2)c1 ZINC000187271983 823034475 /nfs/dbraw/zinc/03/44/75/823034475.db2.gz AYUAPOILOHMUCU-CQSZACIVSA-N 1 0 386.293 4.494 20 0 GIADRO Cc1ccc([C@H]2OCCC[C@@H]2C[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)cc1 ZINC000187273611 823034887 /nfs/dbraw/zinc/03/48/87/823034887.db2.gz ZXLDVPQVYOIIJM-ZJSXRUAMSA-N 1 0 378.516 4.162 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@H]2C[C@H](c3ccccc3Cl)C2)ccc1S(C)(=O)=O ZINC000570417378 823034987 /nfs/dbraw/zinc/03/49/87/823034987.db2.gz ZNBYPZJVQFKVRR-BPUTZDHNSA-N 1 0 393.936 4.349 20 0 GIADRO CC1(CC(F)(F)F)CN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000458384140 823035052 /nfs/dbraw/zinc/03/50/52/823035052.db2.gz UGDDPHLPHWLLIC-AYHJJNSGSA-N 1 0 395.469 4.166 20 0 GIADRO COc1cc(CNCC[NH+]2[C@@H](C)CCC[C@@H]2C)ccc1OCc1ccncc1 ZINC000570419793 823035543 /nfs/dbraw/zinc/03/55/43/823035543.db2.gz WXQMQGZVNHIJAG-OALUTQOASA-N 1 0 383.536 4.022 20 0 GIADRO Cc1cc2c(cc1C)[C@@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)CCS2 ZINC000187279449 823035991 /nfs/dbraw/zinc/03/59/91/823035991.db2.gz LKAAODYIFBYDEY-IBGZPJMESA-N 1 0 375.559 4.175 20 0 GIADRO O=C(NCc1csc(-c2ccccc2)n1)NC1CC[NH+](C2CCCC2)CC1 ZINC000175769656 823036154 /nfs/dbraw/zinc/03/61/54/823036154.db2.gz WNFKEXMDUIWBTB-UHFFFAOYSA-N 1 0 384.549 4.016 20 0 GIADRO C[C@H](Oc1ccccc1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(F)(F)F ZINC000570430625 823037374 /nfs/dbraw/zinc/03/73/74/823037374.db2.gz HGSJJBAXKGKCPH-AVOUXACISA-N 1 0 385.430 4.153 20 0 GIADRO COCCOc1cc(C)ccc1C[NH2+]Cc1cc(-c2ccncc2)ccc1OC ZINC000187290840 823037611 /nfs/dbraw/zinc/03/76/11/823037611.db2.gz OQSCRGXLXZFVFN-UHFFFAOYSA-N 1 0 392.499 4.381 20 0 GIADRO COc1ccc([C@@H](NC(=O)NCCCCC[NH+]2CCCCC2)c2ccco2)cc1 ZINC000458410936 823037591 /nfs/dbraw/zinc/03/75/91/823037591.db2.gz ADNNPUPJPVCZLE-JOCHJYFZSA-N 1 0 399.535 4.333 20 0 GIADRO CCCCOc1ccc([C@H](C)[NH2+]Cc2ccc(-n3ccnc3)nc2)cc1OC ZINC000175777779 823037993 /nfs/dbraw/zinc/03/79/93/823037993.db2.gz OKEPQSUDSOPXPR-KRWDZBQOSA-N 1 0 380.492 4.306 20 0 GIADRO C[C@H]([NH2+]C1(CNC(=O)Nc2ccc([S@](C)=O)cc2)CCCC1)c1ccccc1 ZINC000175779096 823038148 /nfs/dbraw/zinc/03/81/48/823038148.db2.gz YHMSQCYIVIXZRL-HPGBDJQBSA-N 1 0 399.560 4.209 20 0 GIADRO CC[C@H](Oc1ccccc1F)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000175779266 823038152 /nfs/dbraw/zinc/03/81/52/823038152.db2.gz ZHOPZBZLZXWPNV-KNBMTAEXSA-N 1 0 390.524 4.244 20 0 GIADRO COc1ccccc1-c1ccc([C@H](C)NC(=O)NCC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000458420695 823038457 /nfs/dbraw/zinc/03/84/57/823038457.db2.gz ATUOOZSGWBHWGS-OALUTQOASA-N 1 0 395.547 4.454 20 0 GIADRO Cc1ccc(C[NH2+][C@H](C)C2CCS(=O)(=O)CC2)c(O[C@@H](C)CC(C)C)c1 ZINC000187301288 823039697 /nfs/dbraw/zinc/03/96/97/823039697.db2.gz LETWUAVMOWWENO-ZWKOTPCHSA-N 1 0 381.582 4.111 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H]2C[C@H]2c2ccccc2F)[C@H]1c1cccs1 ZINC000458443100 823041037 /nfs/dbraw/zinc/04/10/37/823041037.db2.gz WZGJYBWZHDMIOY-LLYILUEJSA-N 1 0 387.524 4.125 20 0 GIADRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000175792481 823041296 /nfs/dbraw/zinc/04/12/96/823041296.db2.gz SAFUXHLWLVRZPR-UHFFFAOYSA-N 1 0 382.291 4.295 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N[C@@H]1CCc2cc(N)ccc21 ZINC000570464732 823041423 /nfs/dbraw/zinc/04/14/23/823041423.db2.gz XUEWOLSTUCBNRJ-UZUQRXQVSA-N 1 0 392.547 4.130 20 0 GIADRO CCC[N@H+](CC)CCNC(=O)Nc1cccc(C(=O)Nc2ccccc2)c1C ZINC000175795004 823041973 /nfs/dbraw/zinc/04/19/73/823041973.db2.gz DZXPPRHCUWKDJI-UHFFFAOYSA-N 1 0 382.508 4.101 20 0 GIADRO C[C@H]([NH2+]Cc1ccnc(OC2CCC(C)CC2)c1)c1cccc(-n2ccnn2)c1 ZINC000570472847 823042650 /nfs/dbraw/zinc/04/26/50/823042650.db2.gz WWEWJYONQPVXLR-DKTYTTGXSA-N 1 0 391.519 4.471 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCCN(C(=O)CCC(F)(F)F)C1)c1ccc(F)cc1Cl ZINC000570473234 823042818 /nfs/dbraw/zinc/04/28/18/823042818.db2.gz QEUYBPPRIBFOCA-WCQYABFASA-N 1 0 380.813 4.463 20 0 GIADRO Cc1ccc(C(=O)NCC2CC2)cc1N[C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000187323106 823043525 /nfs/dbraw/zinc/04/35/25/823043525.db2.gz QGIGRKDGCKAJBQ-GOSISDBHSA-N 1 0 395.547 4.248 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)c2cc(Br)ccc2C)[NH+](C)C)cc1 ZINC000460920638 823542558 /nfs/dbraw/zinc/54/25/58/823542558.db2.gz HRASEZIGIFINBS-GOSISDBHSA-N 1 0 375.310 4.099 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@H]2CCN(C(=O)C3CCCCC3)C2)cnn1-c1ccc(F)cc1 ZINC000123810574 823542557 /nfs/dbraw/zinc/54/25/57/823542557.db2.gz OHHUNJLDNTWVJA-JXFKEZNVSA-N 1 0 398.526 4.152 20 0 GIADRO Cc1c2ccccc2oc1[C@@H](C)[NH2+][C@H](C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000190148876 823543259 /nfs/dbraw/zinc/54/32/59/823543259.db2.gz HPSDZRIRDYSJHR-MDZRGWNJSA-N 1 0 378.472 4.420 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)C2(c3ccc(Br)cc3)CCCC2)CC[N@@H+]1C ZINC000123832728 823543939 /nfs/dbraw/zinc/54/39/39/823543939.db2.gz RVNBBELZCUOKSA-MAUKXSAKSA-N 1 0 393.369 4.202 20 0 GIADRO C[C@@H]([NH2+]CCOc1ccc(C(F)(F)F)cc1)c1ccc(N2CCOC2=O)cc1 ZINC000177902823 823543971 /nfs/dbraw/zinc/54/39/71/823543971.db2.gz IJAZRYZRIUPQNC-CQSZACIVSA-N 1 0 394.393 4.392 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)NCC(C)(C)c1cccc(Cl)c1)c1ccsc1 ZINC000060575960 823544009 /nfs/dbraw/zinc/54/40/09/823544009.db2.gz SGBFJWIXTCVMAI-KRWDZBQOSA-N 1 0 379.957 4.281 20 0 GIADRO C[C@@H]([NH2+]Cc1cccnc1-n1cccn1)c1ccc(F)c(Br)c1 ZINC000177903050 823544157 /nfs/dbraw/zinc/54/41/57/823544157.db2.gz GZYNTYJDAXJUPV-GFCCVEGCSA-N 1 0 375.245 4.020 20 0 GIADRO CC1CC[NH+](CCCCNC(=O)[C@H]2C[C@H]2c2ccccc2C(F)(F)F)CC1 ZINC000060577474 823544232 /nfs/dbraw/zinc/54/42/32/823544232.db2.gz CNKYWQJPVMULAU-ROUUACIJSA-N 1 0 382.470 4.437 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)C2(c3ccc(Br)cc3)CCCC2)CC[N@@H+]1C ZINC000123832931 823544254 /nfs/dbraw/zinc/54/42/54/823544254.db2.gz RVNBBELZCUOKSA-QAPCUYQASA-N 1 0 393.369 4.202 20 0 GIADRO CC[C@@H](C)Sc1ccc(NC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c(C)c1 ZINC000190159056 823544406 /nfs/dbraw/zinc/54/44/06/823544406.db2.gz PAFDXUIYBJTCCM-IAGOWNOFSA-N 1 0 393.597 4.195 20 0 GIADRO O=C(/C=C(/c1ccc(Cl)cc1)C(F)(F)F)NC1CC[NH+](CC2CC2)CC1 ZINC000177904497 823544448 /nfs/dbraw/zinc/54/44/48/823544448.db2.gz NGJACMJIBBKTMV-BOPFTXTBSA-N 1 0 386.845 4.276 20 0 GIADRO O=C(c1csc2cncn21)N(CCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000411096456 823545204 /nfs/dbraw/zinc/54/52/04/823545204.db2.gz AASMEDYIAOMZLM-UHFFFAOYSA-N 1 0 388.924 4.182 20 0 GIADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cnn(-c2cccc(Cl)c2)c1C ZINC000123850123 823545358 /nfs/dbraw/zinc/54/53/58/823545358.db2.gz JNOYRHLUXQEEAD-OAHLLOKOSA-N 1 0 376.932 4.074 20 0 GIADRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@H]1CCSc2ccccc21 ZINC000460936602 823546221 /nfs/dbraw/zinc/54/62/21/823546221.db2.gz ZJJQBVOZVKVJNJ-LPHOPBHVSA-N 1 0 386.586 4.356 20 0 GIADRO CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000123856053 823546335 /nfs/dbraw/zinc/54/63/35/823546335.db2.gz XYAGIQOXWLDHGA-OAHLLOKOSA-N 1 0 388.943 4.104 20 0 GIADRO O=C(Nc1ccc2c(c1)Cc1ccccc1-2)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000123858435 823546686 /nfs/dbraw/zinc/54/66/86/823546686.db2.gz VTPKNCHUBBCYSZ-UHFFFAOYSA-N 1 0 398.510 4.439 20 0 GIADRO O=c1ccccn1Cc1ccc(C[NH2+][C@@H]2CCSc3ccc(F)cc32)cc1 ZINC000177928503 823547279 /nfs/dbraw/zinc/54/72/79/823547279.db2.gz LKNZOTMZECUFKI-HXUWFJFHSA-N 1 0 380.488 4.362 20 0 GIADRO C[C@H]1CC(=O)CC[C@@H]1C(=O)N(CCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000411105883 823547315 /nfs/dbraw/zinc/54/73/15/823547315.db2.gz YUNPUQGNDDNOGC-JXFKEZNVSA-N 1 0 376.928 4.164 20 0 GIADRO Cn1c(C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2ccccc2)nnc1-c1ccccc1 ZINC000123872081 823548093 /nfs/dbraw/zinc/54/80/93/823548093.db2.gz ZMEMGWNZYAZFTQ-YADHBBJMSA-N 1 0 390.531 4.350 20 0 GIADRO COCCOc1ccc([C@H](C)[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)cc1 ZINC000177937734 823548548 /nfs/dbraw/zinc/54/85/48/823548548.db2.gz ZYYBRVLTJLZDHY-QMHKHESXSA-N 1 0 383.488 4.285 20 0 GIADRO CC[C@H](NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)c1c(C)noc1C ZINC000123877426 823548648 /nfs/dbraw/zinc/54/86/48/823548648.db2.gz YSKSVUZYVPYFIU-FQEVSTJZSA-N 1 0 384.524 4.049 20 0 GIADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2ncoc2-c2ccccc2Cl)C1 ZINC000460950441 823549039 /nfs/dbraw/zinc/54/90/39/823549039.db2.gz PYYLLCLEXOLIBO-BZUAXINKSA-N 1 0 387.911 4.472 20 0 GIADRO CC1CC[NH+]([C@@H](CNC(=O)N2CCc3sccc3C2)c2ccccc2)CC1 ZINC000060630955 823549400 /nfs/dbraw/zinc/54/94/00/823549400.db2.gz DVPPERGCFYHWCD-FQEVSTJZSA-N 1 0 383.561 4.289 20 0 GIADRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2ncoc2-c2ccccc2Cl)C1 ZINC000460953954 823549700 /nfs/dbraw/zinc/54/97/00/823549700.db2.gz FTCRXAVQSMIZOI-GJZGRUSLSA-N 1 0 389.927 4.481 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@@H]2CCN(C(=O)C3CCCCC3)C2)ccc1SC ZINC000123896385 823549861 /nfs/dbraw/zinc/54/98/61/823549861.db2.gz VNVFECGFTNKQGX-MAUKXSAKSA-N 1 0 376.566 4.249 20 0 GIADRO O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccc(-c3ncco3)cc2F)C1 ZINC000411140871 823551316 /nfs/dbraw/zinc/55/13/16/823551316.db2.gz DPMCXCHEFLDTSQ-GOSISDBHSA-N 1 0 379.435 4.331 20 0 GIADRO CNC(=O)C1CC[NH+](Cc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)CC1 ZINC000411143069 823551329 /nfs/dbraw/zinc/55/13/29/823551329.db2.gz LUWSQMOYLQQNRP-UHFFFAOYSA-N 1 0 397.466 4.095 20 0 GIADRO Cc1cc(C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)ccc1NC(=O)CC(C)C ZINC000460962879 823551597 /nfs/dbraw/zinc/55/15/97/823551597.db2.gz XAUXTBOGASHYAI-ZHALLVOQSA-N 1 0 387.568 4.076 20 0 GIADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ncoc2-c2ccccc2Cl)C1 ZINC000460969631 823552775 /nfs/dbraw/zinc/55/27/75/823552775.db2.gz NTGTXVQINSMUFG-AWEZNQCLSA-N 1 0 375.900 4.235 20 0 GIADRO CCCCn1nc(C)c(C[NH2+]CCc2nc(-c3ccccn3)cs2)c1Cl ZINC000123934434 823553126 /nfs/dbraw/zinc/55/31/26/823553126.db2.gz WNERMIAEIRBGDD-UHFFFAOYSA-N 1 0 389.956 4.496 20 0 GIADRO Cc1cc(C)c(Br)c(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)c1 ZINC000460977240 823554399 /nfs/dbraw/zinc/55/43/99/823554399.db2.gz LCLIRXKXPFPXSR-KRWDZBQOSA-N 1 0 393.300 4.238 20 0 GIADRO Cn1cc(CC[NH2+][C@@H](c2cccc(F)c2)c2cccc(Br)c2)cn1 ZINC000123951705 823554654 /nfs/dbraw/zinc/55/46/54/823554654.db2.gz ADQQVZUMEHYYFF-LJQANCHMSA-N 1 0 388.284 4.243 20 0 GIADRO O=C(c1ccsc1)N1CCCN(Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411181855 823555132 /nfs/dbraw/zinc/55/51/32/823555132.db2.gz GPKLTQOVVOFYNX-UHFFFAOYSA-N 1 0 397.588 4.082 20 0 GIADRO CSC1(CNC(=O)c2ccccc2Oc2cccc(C)c2)CC[NH+](C)CC1 ZINC000460982132 823555454 /nfs/dbraw/zinc/55/54/54/823555454.db2.gz QLZUJCMLNLDJCC-UHFFFAOYSA-N 1 0 384.545 4.345 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1ncoc1-c1ccccc1Cl)CC(C)C ZINC000460988300 823556330 /nfs/dbraw/zinc/55/63/30/823556330.db2.gz BIILFSASMJNZSI-OAHLLOKOSA-N 1 0 377.916 4.481 20 0 GIADRO O=C(C[C@@H](c1ccc(O)cc1)C1CC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000411198339 823556558 /nfs/dbraw/zinc/55/65/58/823556558.db2.gz ZFVWQCPZTIAQEF-HSZRJFAPSA-N 1 0 378.516 4.188 20 0 GIADRO CC[N@H+](CCNC(=O)c1cn(C(C)(C)C)nc1-c1ccc(F)cc1F)C(C)C ZINC000460997695 823556818 /nfs/dbraw/zinc/55/68/18/823556818.db2.gz DXFBXCWFDLZDAA-UHFFFAOYSA-N 1 0 392.494 4.043 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]Cc1ccccc1OC(F)F ZINC000123976916 823557289 /nfs/dbraw/zinc/55/72/89/823557289.db2.gz RLNWETAGIGUJNN-LBPRGKRZSA-N 1 0 398.837 4.457 20 0 GIADRO CC[NH+](CC)C[C@H](C)NC(=O)c1cc(NC(=O)CC(C)(C)C)ccc1Cl ZINC000461000569 823557460 /nfs/dbraw/zinc/55/74/60/823557460.db2.gz LQHNJNGOOMLMGI-AWEZNQCLSA-N 1 0 381.948 4.175 20 0 GIADRO CC[C@@H](C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(F)cc1 ZINC000461003566 823557780 /nfs/dbraw/zinc/55/77/80/823557780.db2.gz FJPBSSQQGROFBT-JOCHJYFZSA-N 1 0 384.495 4.110 20 0 GIADRO CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H](CO)Cc1c[nH]c2ccccc12 ZINC000123989761 823558199 /nfs/dbraw/zinc/55/81/99/823558199.db2.gz KXVYUURLKGCIIC-MJGOQNOKSA-N 1 0 393.531 4.202 20 0 GIADRO CCC[N@H+](CC1CCC2(CC1)OCCO2)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000190285321 823559232 /nfs/dbraw/zinc/55/92/32/823559232.db2.gz PXNDDSYRICEBBW-UHFFFAOYSA-N 1 0 396.572 4.031 20 0 GIADRO CC[C@H](C)[NH2+][C@H](CNC(=O)N1Cc2ccccc2OC(C)(C)C1)c1ccco1 ZINC000461017114 823559554 /nfs/dbraw/zinc/55/95/54/823559554.db2.gz RDANFHOCTPBXNL-FUHWJXTLSA-N 1 0 385.508 4.092 20 0 GIADRO NC(=O)c1csc(C[NH2+]CC2(c3cc(C(F)(F)F)ccc3Cl)CC2)c1 ZINC000190298832 823560321 /nfs/dbraw/zinc/56/03/21/823560321.db2.gz CFDJOJVIHVBEHH-UHFFFAOYSA-N 1 0 388.842 4.341 20 0 GIADRO COc1cc(Br)c(C[NH2+]CCc2cccc(Cl)c2)cc1OC ZINC000060830366 823560764 /nfs/dbraw/zinc/56/07/64/823560764.db2.gz NESPPGCSJOKLIK-UHFFFAOYSA-N 1 0 384.701 4.452 20 0 GIADRO CCc1ccc([C@H](C)[NH2+]Cc2ccc(OCC(=O)N3CCCC3)c(OC)c2)cc1 ZINC000060831681 823560955 /nfs/dbraw/zinc/56/09/55/823560955.db2.gz MLQDYHCZSCQBPS-SFHVURJKSA-N 1 0 396.531 4.110 20 0 GIADRO Cc1ncc(C[NH2+]Cc2ccc(C)nc2-n2cc(Cl)cn2)n1-c1ccccc1 ZINC000190305512 823561079 /nfs/dbraw/zinc/56/10/79/823561079.db2.gz BNSLIKCCRXPRLV-UHFFFAOYSA-N 1 0 392.894 4.013 20 0 GIADRO Cc1ccc(C[NH2+]Cc2cccc(OC(F)(F)F)c2)c(-n2cc(Cl)cn2)n1 ZINC000190310323 823561577 /nfs/dbraw/zinc/56/15/77/823561577.db2.gz UNLALZSMTIZFET-UHFFFAOYSA-N 1 0 396.800 4.418 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)C1 ZINC000060845295 823561706 /nfs/dbraw/zinc/56/17/06/823561706.db2.gz TUNVNVZQIJYWGC-KDURUIRLSA-N 1 0 393.531 4.037 20 0 GIADRO O[C@@H](C[NH2+]Cc1ccc(OC(F)F)c(Br)c1)c1ccc(F)cc1 ZINC000124038343 823561847 /nfs/dbraw/zinc/56/18/47/823561847.db2.gz UCSDHJVMZHAUKA-AWEZNQCLSA-N 1 0 390.199 4.013 20 0 GIADRO O[C@H](C[NH2+]Cc1ccc(OC(F)F)c(Br)c1)c1ccc(F)cc1 ZINC000124038078 823561926 /nfs/dbraw/zinc/56/19/26/823561926.db2.gz UCSDHJVMZHAUKA-CQSZACIVSA-N 1 0 390.199 4.013 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CC2CCC3(CC2)OCCO3)cc1Br ZINC000190319131 823562306 /nfs/dbraw/zinc/56/23/06/823562306.db2.gz HRLXFGHMFJLWMU-ZDUSSCGKSA-N 1 0 384.314 4.042 20 0 GIADRO Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000411286925 823562434 /nfs/dbraw/zinc/56/24/34/823562434.db2.gz XOZFWAVFEQYSEK-KURKYZTESA-N 1 0 395.551 4.180 20 0 GIADRO CCC[N@H+](CCc1cccc(F)c1)[C@H](C)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000411287233 823562449 /nfs/dbraw/zinc/56/24/49/823562449.db2.gz YZDQXWGTVYGUQV-MRXNPFEDSA-N 1 0 385.483 4.066 20 0 GIADRO COCCOc1ccc(CN[C@H](C)c2nc(-c3ccncc3)cs2)cc1OC ZINC000124046198 823562744 /nfs/dbraw/zinc/56/27/44/823562744.db2.gz KZQSTVOCFRJGHI-OAHLLOKOSA-N 1 0 399.516 4.090 20 0 GIADRO O=C(Nc1ccc(F)cc1)Nc1cccc2c1CC[N@H+](CC1=CCCOC1)C2 ZINC000124048946 823562944 /nfs/dbraw/zinc/56/29/44/823562944.db2.gz UIEFQCHINVXJDS-UHFFFAOYSA-N 1 0 381.451 4.175 20 0 GIADRO Fc1ccc(-n2ccc(C[NH2+][C@H](C[C@@H]3CCOC3)c3ccccc3)n2)c(F)c1 ZINC000190325857 823562988 /nfs/dbraw/zinc/56/29/88/823562988.db2.gz DQJOUYVTOAORKI-HRAATJIYSA-N 1 0 383.442 4.408 20 0 GIADRO C[NH+]1CCC(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)CC1 ZINC000060859464 823563103 /nfs/dbraw/zinc/56/31/03/823563103.db2.gz SJDAIWYEGRJRNZ-UHFFFAOYSA-N 1 0 394.906 4.017 20 0 GIADRO c1csc(-c2nn(Cc3ccccc3)cc2C[NH2+][C@@H]2C[C@H]3OCCC[C@H]23)c1 ZINC000190337670 823564437 /nfs/dbraw/zinc/56/44/37/823564437.db2.gz PSISRXZWLQACLW-VAMGGRTRSA-N 1 0 379.529 4.317 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+][C@H](CO)Cc1c[nH]c2ccccc12 ZINC000124067885 823564768 /nfs/dbraw/zinc/56/47/68/823564768.db2.gz NONOUMPBLOVKJD-KSSFIOAISA-N 1 0 392.528 4.249 20 0 GIADRO COC(=O)c1ccc(C[NH2+]C2(c3ccc(Br)cc3)CCCC2)nc1 ZINC000411335005 823565015 /nfs/dbraw/zinc/56/50/15/823565015.db2.gz CVCXLZCXXIUMKH-UHFFFAOYSA-N 1 0 389.293 4.190 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)CSCc2ccc(Cl)cc2Cl)CC[N@@H+]1C ZINC000124076844 823565491 /nfs/dbraw/zinc/56/54/91/823565491.db2.gz OJZQOJXBBFAWJP-IUODEOHRSA-N 1 0 375.365 4.168 20 0 GIADRO CCCNC(=O)CCC[NH+]1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000411344728 823565620 /nfs/dbraw/zinc/56/56/20/823565620.db2.gz JXCKGXWCDCECKD-UHFFFAOYSA-N 1 0 387.351 4.281 20 0 GIADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2cc(-c3ccccc3Cl)n[nH]2)CC1 ZINC000124079367 823565837 /nfs/dbraw/zinc/56/58/37/823565837.db2.gz FUVNKTIUWGYQMG-UHFFFAOYSA-N 1 0 398.894 4.060 20 0 GIADRO COc1ccc([C@H](C)[C@@H](C)[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)cc1 ZINC000124088140 823566482 /nfs/dbraw/zinc/56/64/82/823566482.db2.gz PHHTWYIRLFFWGJ-KFWWJZLASA-N 1 0 379.497 4.081 20 0 GIADRO CCC[N@H+](C[C@H]1CCCCO1)[C@H](C)C(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000411362869 823566519 /nfs/dbraw/zinc/56/65/19/823566519.db2.gz CCFHFIHBGLFNQE-TZIWHRDSSA-N 1 0 398.551 4.097 20 0 GIADRO C[C@@H](c1cccc(O)c1)[N@H+](C)CCC(=O)Nc1ccccc1Br ZINC000411368475 823566936 /nfs/dbraw/zinc/56/69/36/823566936.db2.gz JJASDVYLMVWAJS-ZDUSSCGKSA-N 1 0 377.282 4.176 20 0 GIADRO O=C(C[C@@H](c1ccc(O)cc1)C1CC1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000411383478 823568174 /nfs/dbraw/zinc/56/81/74/823568174.db2.gz UZKRHTROYDVVDX-HSZRJFAPSA-N 1 0 378.516 4.188 20 0 GIADRO CC(=O)c1c(C)[nH]c(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)c1C(C)C ZINC000124108644 823568229 /nfs/dbraw/zinc/56/82/29/823568229.db2.gz CHGZULYVCOCRIL-UHFFFAOYSA-N 1 0 383.536 4.419 20 0 GIADRO C[C@H](C(=O)NC1CC[NH+](C(C)(C)C)CC1)c1cccc(C(=O)c2ccccc2)c1 ZINC000124117222 823568931 /nfs/dbraw/zinc/56/89/31/823568931.db2.gz PLYFHLKORVGYRH-SFHVURJKSA-N 1 0 392.543 4.400 20 0 GIADRO O=C(CC[NH2+]C1(CCO)CCCCC1)N[C@@H](c1cccs1)c1ccccc1 ZINC000411391519 823569263 /nfs/dbraw/zinc/56/92/63/823569263.db2.gz OQYOISFIUDXBJC-OAQYLSRUSA-N 1 0 386.561 4.019 20 0 GIADRO COc1cc(C[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)ccc1OC(C)C ZINC000124122212 823569467 /nfs/dbraw/zinc/56/94/67/823569467.db2.gz ZPYDIFREMQYOQA-IBGZPJMESA-N 1 0 398.551 4.180 20 0 GIADRO O=C(NCC1(c2ccccc2)CCOCC1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000411395923 823569770 /nfs/dbraw/zinc/56/97/70/823569770.db2.gz ISXZHRJVTQCXFJ-UHFFFAOYSA-N 1 0 392.543 4.151 20 0 GIADRO C[C@H]([NH2+][C@@H](CO)Cc1c[nH]c2ccccc12)c1ccc(F)cc1OC(F)F ZINC000124130445 823570355 /nfs/dbraw/zinc/57/03/55/823570355.db2.gz DYJSJGCJUJRWAQ-SWLSCSKDSA-N 1 0 378.394 4.163 20 0 GIADRO CC[C@]1(C)Oc2ccc(NC(=O)NC[C@@H](c3cccs3)[NH+](C)C)cc2O1 ZINC000190422709 823571621 /nfs/dbraw/zinc/57/16/21/823571621.db2.gz AQRWUUZQCJQSNL-IFXJQAMLSA-N 1 0 375.494 4.070 20 0 GIADRO Cc1ccccc1COc1ccc([C@@H](C)[NH2+][C@@H](CCO)C2CCOCC2)cc1 ZINC000461080516 823572217 /nfs/dbraw/zinc/57/22/17/823572217.db2.gz CMVNQQHSQPMRHJ-DVECYGJZSA-N 1 0 383.532 4.402 20 0 GIADRO C[C@H]([NH2+][C@H]1CCN(c2c(F)cccc2F)C1=O)c1ccc(OC(F)F)cc1 ZINC000124155263 823572489 /nfs/dbraw/zinc/57/24/89/823572489.db2.gz AVDMANSZAFHIHA-ZBEGNZNMSA-N 1 0 382.357 4.022 20 0 GIADRO C[C@H](c1cccnc1)[N@H+](C)CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000411423999 823572576 /nfs/dbraw/zinc/57/25/76/823572576.db2.gz PJFXVQQKXUCCDG-VGOFRKELSA-N 1 0 379.529 4.432 20 0 GIADRO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1ccc(-c2ccncc2)cc1F ZINC000190430245 823572593 /nfs/dbraw/zinc/57/25/93/823572593.db2.gz HBBDLEJBQMNRFB-SFTDATJTSA-N 1 0 380.467 4.114 20 0 GIADRO O=S1(=O)CCCN1c1ccc(C[NH2+][C@@H](c2ccccc2)C2CCCC2)cc1 ZINC000461081794 823572664 /nfs/dbraw/zinc/57/26/64/823572664.db2.gz BNBNAMQQVVQKDK-QFIPXVFZSA-N 1 0 384.545 4.248 20 0 GIADRO COc1cc(Br)ccc1[C@H](C)[NH2+]Cc1ccc(OC(C)=O)cc1 ZINC000190431143 823572813 /nfs/dbraw/zinc/57/28/13/823572813.db2.gz NTBPNMVKVGQULW-LBPRGKRZSA-N 1 0 378.266 4.234 20 0 GIADRO Cc1nn(-c2ccccc2)c(Cl)c1CNC[C@H](Cc1ccccc1)[NH+](C)C ZINC000061015007 823572871 /nfs/dbraw/zinc/57/28/71/823572871.db2.gz PTBVDNKCSCUNFR-FQEVSTJZSA-N 1 0 382.939 4.097 20 0 GIADRO O=C(C[C@H]1CCCN1C(=O)c1cccc(C[NH+]2CCCC2)c1)c1ccccc1 ZINC000124160482 823573132 /nfs/dbraw/zinc/57/31/32/823573132.db2.gz QZEATNLIQOYRRR-JOCHJYFZSA-N 1 0 376.500 4.160 20 0 GIADRO CSC[C@@H](CCO)[NH2+]Cc1cn(C(C)(C)C)nc1-c1ccccc1Cl ZINC000124158731 823573140 /nfs/dbraw/zinc/57/31/40/823573140.db2.gz LQRNEYZOWOFKQY-OAHLLOKOSA-N 1 0 381.973 4.162 20 0 GIADRO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1C(F)(F)F ZINC000411428331 823573222 /nfs/dbraw/zinc/57/32/22/823573222.db2.gz SGCIGNZXGLSOBZ-INIZCTEOSA-N 1 0 380.414 4.211 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCCCOC2CCCC2)C1 ZINC000061017167 823573244 /nfs/dbraw/zinc/57/32/44/823573244.db2.gz CVPKILYULUTMKB-LJQANCHMSA-N 1 0 387.568 4.067 20 0 GIADRO CC(C)[C@H]([NH2+]Cc1ccc(Br)cn1)c1ccc2c(c1)OCCO2 ZINC000411436286 823573963 /nfs/dbraw/zinc/57/39/63/823573963.db2.gz GYBDUYCCRPXXAB-SFHVURJKSA-N 1 0 377.282 4.102 20 0 GIADRO CC(C)(COc1ncccc1Br)[NH2+]Cc1cc(-c2ccco2)on1 ZINC000411435186 823573985 /nfs/dbraw/zinc/57/39/85/823573985.db2.gz YLZYDTFMYVHOTP-UHFFFAOYSA-N 1 0 392.253 4.039 20 0 GIADRO CCNC(=O)[C@@H](C)[NH2+]Cc1cn(-c2ccccc2C)nc1-c1ccc(CC)cc1 ZINC000061028874 823574090 /nfs/dbraw/zinc/57/40/90/823574090.db2.gz UWIKCQMDILZTOR-GOSISDBHSA-N 1 0 390.531 4.024 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[NH2+][C@H](C)c1ccc(F)cc1F ZINC000411439616 823574181 /nfs/dbraw/zinc/57/41/81/823574181.db2.gz QEMOMTGPTPQJST-CQSZACIVSA-N 1 0 398.457 4.447 20 0 GIADRO CC[C@]1(C)Oc2ccc(NC(=O)NCC3CCN(c4cc[nH+]cc4)CC3)cc2O1 ZINC000190440874 823574319 /nfs/dbraw/zinc/57/43/19/823574319.db2.gz SZDSAFHXHCTKGC-JOCHJYFZSA-N 1 0 396.491 4.017 20 0 GIADRO Cc1ncsc1CCC(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000411443257 823574581 /nfs/dbraw/zinc/57/45/81/823574581.db2.gz BTSDXGWPKULHNH-IRXDYDNUSA-N 1 0 385.577 4.178 20 0 GIADRO Cc1cscc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000124182971 823575248 /nfs/dbraw/zinc/57/52/48/823575248.db2.gz PHLDLOOQJKBIQX-OAHLLOKOSA-N 1 0 383.439 4.471 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+]CCC(=O)Nc2ccccc2SC)cc1OC ZINC000411447787 823575402 /nfs/dbraw/zinc/57/54/02/823575402.db2.gz JXTJQIXHRXGVES-HNNXBMFYSA-N 1 0 388.533 4.495 20 0 GIADRO CC[C@@H]([NH2+][C@@H]1C[C@@H]1c1ccccc1)c1ccccc1OCC(=O)N1CCCC1 ZINC000411448404 823575481 /nfs/dbraw/zinc/57/54/81/823575481.db2.gz KWSZZTGZWDMSKI-YPAWHYETSA-N 1 0 378.516 4.285 20 0 GIADRO CC(C)[C@@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000461094776 823575719 /nfs/dbraw/zinc/57/57/19/823575719.db2.gz VLBCIYDYWRRRDK-HXUWFJFHSA-N 1 0 392.952 4.367 20 0 GIADRO CCOc1ccc(NC(=O)CC[NH2+][C@H](C)c2cc(OC)c(OC)cc2C)cc1 ZINC000411450522 823575732 /nfs/dbraw/zinc/57/57/32/823575732.db2.gz TWOHUJFQNGWIDX-MRXNPFEDSA-N 1 0 386.492 4.090 20 0 GIADRO CCOc1ccccc1NC(=O)CC[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000411450014 823575736 /nfs/dbraw/zinc/57/57/36/823575736.db2.gz SSKUAFBEAOONPS-AWEZNQCLSA-N 1 0 378.419 4.366 20 0 GIADRO O=C(CC[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1)Nc1ccc2c(c1)OCO2 ZINC000411450208 823575790 /nfs/dbraw/zinc/57/57/90/823575790.db2.gz GSEBOTXXTWUQOZ-OAHLLOKOSA-N 1 0 398.356 4.166 20 0 GIADRO O=C(CC[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1)Nc1ccc2c(c1)OCO2 ZINC000411450206 823575853 /nfs/dbraw/zinc/57/58/53/823575853.db2.gz GSEBOTXXTWUQOZ-HNNXBMFYSA-N 1 0 398.356 4.166 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N1CCCC[C@@H]1C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000411450964 823575967 /nfs/dbraw/zinc/57/59/67/823575967.db2.gz HOIGMVXNSLXZSN-DLBZAZTESA-N 1 0 397.494 4.130 20 0 GIADRO C[C@@H]([NH2+]CCC(=O)Nc1c(Cl)cccc1Cl)c1ccc2c(c1)OCO2 ZINC000411451321 823576041 /nfs/dbraw/zinc/57/60/41/823576041.db2.gz GDBXRALPUUUHCM-LLVKDONJSA-N 1 0 381.259 4.402 20 0 GIADRO O=C(CC[NH2+][C@@H](CC(F)(F)F)c1ccccc1)N1CCc2sccc2C1 ZINC000411453190 823576239 /nfs/dbraw/zinc/57/62/39/823576239.db2.gz JJDLXSOVEMSWPC-INIZCTEOSA-N 1 0 382.451 4.306 20 0 GIADRO COc1cc(F)c([C@H](C)[NH2+]CCC(=O)Nc2ccccc2SC)cc1OC ZINC000411453389 823576261 /nfs/dbraw/zinc/57/62/61/823576261.db2.gz BQMSVFAHYITVJU-ZDUSSCGKSA-N 1 0 392.496 4.244 20 0 GIADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(OCc3ccccn3)cc2)C1 ZINC000461096620 823576292 /nfs/dbraw/zinc/57/62/92/823576292.db2.gz HHCJMNMCKXDUCR-IBGZPJMESA-N 1 0 395.547 4.291 20 0 GIADRO O=C(CC[NH2+][C@H](CCO)c1ccccc1)N[C@H](c1cccs1)c1ccccc1 ZINC000411453399 823576412 /nfs/dbraw/zinc/57/64/12/823576412.db2.gz XKVPPIBBCWTKJL-OFNKIYASSA-N 1 0 394.540 4.057 20 0 GIADRO COCCSc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2cccc(F)c2)cc1 ZINC000411454030 823576444 /nfs/dbraw/zinc/57/64/44/823576444.db2.gz AESIMLITXYDPBW-OAHLLOKOSA-N 1 0 376.497 4.244 20 0 GIADRO CO[C@@]1(C[NH2+][C@@H](c2ccccc2)c2ccc(Br)cc2F)CCOC1 ZINC000461097998 823576651 /nfs/dbraw/zinc/57/66/51/823576651.db2.gz HGKTYZMVEGSXDB-RBUKOAKNSA-N 1 0 394.284 4.073 20 0 GIADRO COc1cccc(NC(=O)CC[NH2+][C@H](C)c2cnn(-c3ccc(F)cc3)c2C)c1 ZINC000411458363 823576959 /nfs/dbraw/zinc/57/69/59/823576959.db2.gz QFRDDTKLRJJDRQ-OAHLLOKOSA-N 1 0 396.466 4.008 20 0 GIADRO Clc1cccc(-c2noc(CC[NH2+][C@H](c3ccccc3)[C@H]3CCOC3)n2)c1 ZINC000411458634 823577049 /nfs/dbraw/zinc/57/70/49/823577049.db2.gz JWQSJNMXXLWPPU-FXAWDEMLSA-N 1 0 383.879 4.300 20 0 GIADRO Clc1cccc(-c2noc(CC[NH2+][C@@H](c3ccccc3)[C@H]3CCOC3)n2)c1 ZINC000411458635 823577066 /nfs/dbraw/zinc/57/70/66/823577066.db2.gz JWQSJNMXXLWPPU-PXNSSMCTSA-N 1 0 383.879 4.300 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2ccccc2Br)cc1 ZINC000411458725 823577245 /nfs/dbraw/zinc/57/72/45/823577245.db2.gz MDFPONUCUSNUMY-CYBMUJFWSA-N 1 0 377.282 4.137 20 0 GIADRO COc1ccc([C@H](CCO)[NH2+]Cc2cc(Cl)cc(Br)c2)cc1 ZINC000411460946 823577371 /nfs/dbraw/zinc/57/73/71/823577371.db2.gz PGZFWHQQIWWVOC-KRWDZBQOSA-N 1 0 384.701 4.324 20 0 GIADRO CO[C@@]1(C[NH2+][C@@H](c2ccccc2)c2cc(Br)ccc2F)CCOC1 ZINC000461102459 823577658 /nfs/dbraw/zinc/57/76/58/823577658.db2.gz PBXFAVKOLDURFN-RBUKOAKNSA-N 1 0 394.284 4.073 20 0 GIADRO O=C(CC[NH2+][C@@H](c1ccccc1)[C@H]1CCOC1)Nc1cccc(C(F)(F)F)c1 ZINC000411465603 823577945 /nfs/dbraw/zinc/57/79/45/823577945.db2.gz XTUWPDSJFDKPBJ-JXFKEZNVSA-N 1 0 392.421 4.401 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1)C(=O)N1CCCCC1 ZINC000411464890 823577961 /nfs/dbraw/zinc/57/79/61/823577961.db2.gz ZBABAWQFTSNBAK-IRXDYDNUSA-N 1 0 397.494 4.130 20 0 GIADRO CC[C@H]([NH2+]CCC(=O)Nc1ccccc1SC)c1ccc2c(c1)OCCO2 ZINC000411465032 823577970 /nfs/dbraw/zinc/57/79/70/823577970.db2.gz ZUKZDOHFFVGOEX-INIZCTEOSA-N 1 0 386.517 4.249 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCCC1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000411464892 823577972 /nfs/dbraw/zinc/57/79/72/823577972.db2.gz ZBABAWQFTSNBAK-SJORKVTESA-N 1 0 397.494 4.130 20 0 GIADRO CC[C@@H](C)[C@@H](C)[NH2+]CCC(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1 ZINC000411468712 823578292 /nfs/dbraw/zinc/57/82/92/823578292.db2.gz JACLNDZVVQRNEQ-IAGOWNOFSA-N 1 0 397.519 4.300 20 0 GIADRO CC(C)([NH2+]CCC(=O)Nc1ccccc1Br)c1cccc(F)c1 ZINC000411468683 823578313 /nfs/dbraw/zinc/57/83/13/823578313.db2.gz IQEQFKGOGMQOBC-UHFFFAOYSA-N 1 0 379.273 4.442 20 0 GIADRO O[C@H](C[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1)c1c(Cl)cccc1Cl ZINC000124225033 823578791 /nfs/dbraw/zinc/57/87/91/823578791.db2.gz MWVFDNMGKFZNTN-MRXNPFEDSA-N 1 0 380.250 4.346 20 0 GIADRO COc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H](O)c2c(Cl)cccc2Cl)cc1 ZINC000124225630 823579095 /nfs/dbraw/zinc/57/90/95/823579095.db2.gz RJWWCNKBLVIPSD-QGZVFWFLSA-N 1 0 392.286 4.215 20 0 GIADRO COc1ccc(NC(=O)CC[NH2+][C@@H](c2nc(C)cs2)C2CC2)cc1Cl ZINC000411481128 823580057 /nfs/dbraw/zinc/58/00/57/823580057.db2.gz PZORHKLGAFMTBE-QGZVFWFLSA-N 1 0 379.913 4.183 20 0 GIADRO O=C(C[C@@H](Cc1ccccc1)c1ccccc1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000461117111 823580660 /nfs/dbraw/zinc/58/06/60/823580660.db2.gz PPUDSCXJJFXIIH-RPWUZVMVSA-N 1 0 376.544 4.490 20 0 GIADRO COc1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(OCc3noc(C)n3)cc2)c1 ZINC000124252065 823581124 /nfs/dbraw/zinc/58/11/24/823581124.db2.gz VTNPHIJDXQVHAW-NRFANRHFSA-N 1 0 379.460 4.303 20 0 GIADRO O=c1nc(C[NH2+][C@@H](CCO)C2CCCCC2)[nH]c2sc(-c3ccccc3)cc21 ZINC000411497419 823581432 /nfs/dbraw/zinc/58/14/32/823581432.db2.gz ZHLZOTFHOQBAEV-SFHVURJKSA-N 1 0 397.544 4.485 20 0 GIADRO C[C@@H](N[C@@H](C)c1noc(-c2ccccc2)n1)c1ccc(OCC[NH+](C)C)cc1 ZINC000124259219 823581683 /nfs/dbraw/zinc/58/16/83/823581683.db2.gz KWFQHEAEPGRXGX-SJORKVTESA-N 1 0 380.492 4.089 20 0 GIADRO CCc1cnccc1[C@H](C)[NH2+]CCC(=O)Nc1ccc(Br)cc1F ZINC000411501026 823581860 /nfs/dbraw/zinc/58/18/60/823581860.db2.gz HAYRXZUIPWEYHG-LBPRGKRZSA-N 1 0 394.288 4.225 20 0 GIADRO O=C(CC[NH2+][C@H](c1cccnc1)C1CC1)N[C@H](c1cccs1)c1ccccc1 ZINC000411507658 823582372 /nfs/dbraw/zinc/58/23/72/823582372.db2.gz SGBREMZWUGBWCL-GOTSBHOMSA-N 1 0 391.540 4.480 20 0 GIADRO CC(C)COC[C@H]([NH2+]CCC(=O)Nc1ccc(Cl)cc1F)c1ccco1 ZINC000411510279 823582653 /nfs/dbraw/zinc/58/26/53/823582653.db2.gz FYQSQPSYEVWCGB-KRWDZBQOSA-N 1 0 382.863 4.404 20 0 GIADRO CC[NH+](CC)CCOc1ccc(C(=O)N2C[C@H](C)CN(C)c3ccccc32)cc1 ZINC000461126724 823582942 /nfs/dbraw/zinc/58/29/42/823582942.db2.gz JOJXEIBDCHANHO-LJQANCHMSA-N 1 0 395.547 4.140 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H](C)c1ccc(F)cc1F ZINC000061193376 823583361 /nfs/dbraw/zinc/58/33/61/823583361.db2.gz SLZKDYBNBSSQHS-OAHLLOKOSA-N 1 0 375.463 4.367 20 0 GIADRO COc1ccc(NC(=O)CC[NH2+][C@@H](c2ncc(C)s2)C2CC2)cc1Cl ZINC000411517454 823583477 /nfs/dbraw/zinc/58/34/77/823583477.db2.gz MKCJZCLKYFAVEI-QGZVFWFLSA-N 1 0 379.913 4.183 20 0 GIADRO NC(=O)C[C@@H]([NH2+]CCC(=O)Nc1ccccc1-c1ccccc1)C1CCCCC1 ZINC000411519069 823583864 /nfs/dbraw/zinc/58/38/64/823583864.db2.gz RASZRELQLFFXMH-JOCHJYFZSA-N 1 0 393.531 4.096 20 0 GIADRO CC[C@H]([NH2+]CCC(=O)Nc1cccc(OC)c1)c1nc(C(F)(F)F)cs1 ZINC000411521034 823584143 /nfs/dbraw/zinc/58/41/43/823584143.db2.gz XNYYFWDLXNZDTF-ZDUSSCGKSA-N 1 0 387.427 4.240 20 0 GIADRO C[C@H]1C[C@@H](c2cccnc2)[N@H+](CCC(=O)Nc2ccccc2Br)C1 ZINC000411521716 823584344 /nfs/dbraw/zinc/58/43/44/823584344.db2.gz BZNUVZNCHBUARQ-KSSFIOAISA-N 1 0 388.309 4.256 20 0 GIADRO COCC[C@H]([NH2+]CCC(=O)Nc1cccc(Br)c1)c1ccc(C)o1 ZINC000411526690 823584884 /nfs/dbraw/zinc/58/48/84/823584884.db2.gz DXATXZSTORIGIY-INIZCTEOSA-N 1 0 395.297 4.047 20 0 GIADRO Cc1c([C@@H](C)[NH2+]CCC(=O)Nc2ccc(Oc3ccccc3)cc2)cnn1C ZINC000411531560 823585264 /nfs/dbraw/zinc/58/52/64/823585264.db2.gz KOOGVIHUINCETB-MRXNPFEDSA-N 1 0 378.476 4.200 20 0 GIADRO COCC[C@@H]([NH2+]CCC(=O)Nc1ccc(Br)cc1)c1ccc(C)o1 ZINC000411531498 823585410 /nfs/dbraw/zinc/58/54/10/823585410.db2.gz KNWNPEOMCJTHMP-MRXNPFEDSA-N 1 0 395.297 4.047 20 0 GIADRO C[C@H]([NH2+]CCC(=O)Nc1c(Cl)cccc1Cl)[C@@H]1COc2ccccc21 ZINC000411533224 823585515 /nfs/dbraw/zinc/58/55/15/823585515.db2.gz MEBHJHQSIIHPMJ-JSGCOSHPSA-N 1 0 379.287 4.476 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)N[C@@H](C)c1cc(OC)ccc1OC)c1ccccc1 ZINC000061228541 823585544 /nfs/dbraw/zinc/58/55/44/823585544.db2.gz IAVICAONURKONK-UWJYYQICSA-N 1 0 399.535 4.147 20 0 GIADRO FC(F)(F)c1ccc(-c2nc(C[NH2+]CCn3cnnc3C3CC3)cs2)cc1 ZINC000124307584 823585880 /nfs/dbraw/zinc/58/58/80/823585880.db2.gz VOHHBRIMVHFPIA-UHFFFAOYSA-N 1 0 393.438 4.088 20 0 GIADRO C[NH+](C)Cc1ccccc1CNC(=O)CSc1cc(Cl)ccc1Cl ZINC000061231648 823585869 /nfs/dbraw/zinc/58/58/69/823585869.db2.gz AUZPXCOHPWCSGV-UHFFFAOYSA-N 1 0 383.344 4.464 20 0 GIADRO Cc1cc(/C=C(/C#N)C(=O)NCc2ccccc2C[NH+](C)C)c(C)n1CC(C)C ZINC000061232570 823585970 /nfs/dbraw/zinc/58/59/70/823585970.db2.gz PVPUBRGRVBAHIM-FMCGGJTJSA-N 1 0 392.547 4.046 20 0 GIADRO Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NCCC[NH+]1CCCC1 ZINC000061239056 823586474 /nfs/dbraw/zinc/58/64/74/823586474.db2.gz WUSTYTFBFFDGHB-UHFFFAOYSA-N 1 0 388.515 4.063 20 0 GIADRO O=C(N[C@H](CC(F)(F)F)c1ccccc1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000411541325 823586660 /nfs/dbraw/zinc/58/66/60/823586660.db2.gz XZIICGFIALAIRW-IAGOWNOFSA-N 1 0 386.483 4.014 20 0 GIADRO CCCN(CC[NH+](CC)CC)C(=O)c1cccc(NC(=O)c2cccs2)c1 ZINC000461142656 823586775 /nfs/dbraw/zinc/58/67/75/823586775.db2.gz AXFZCCQPZKMZAK-UHFFFAOYSA-N 1 0 387.549 4.194 20 0 GIADRO CC(=O)Nc1cccc(C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)c1C ZINC000190564634 823587034 /nfs/dbraw/zinc/58/70/34/823587034.db2.gz INUBNAMHJUDCQZ-QGZVFWFLSA-N 1 0 393.531 4.258 20 0 GIADRO Brc1ccc([C@H]([NH2+]Cc2cccnc2-n2ccnc2)C2CC2)s1 ZINC000190582000 823588285 /nfs/dbraw/zinc/58/82/85/823588285.db2.gz ZYKDBMINBLPIDU-MRXNPFEDSA-N 1 0 389.322 4.332 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CCOc2cccc(Br)c2)c1 ZINC000124337222 823588338 /nfs/dbraw/zinc/58/83/38/823588338.db2.gz LCWSLDFIEPACCC-CYBMUJFWSA-N 1 0 377.282 4.137 20 0 GIADRO FC(F)(F)CN1CC[C@@H](C[NH2+][C@@H](c2ccc(Br)s2)C2CC2)C1 ZINC000190588720 823588794 /nfs/dbraw/zinc/58/87/94/823588794.db2.gz JZYKGNDTLXRPNO-IINYFYTJSA-N 1 0 397.304 4.436 20 0 GIADRO COc1ccc(CCCC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)cc1 ZINC000061285616 823589503 /nfs/dbraw/zinc/58/95/03/823589503.db2.gz DHOJVRLUCJWLGT-UHFFFAOYSA-N 1 0 384.545 4.205 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCSCC2)c1)c1ccc(OC(F)(F)F)cc1 ZINC000061286724 823589825 /nfs/dbraw/zinc/58/98/25/823589825.db2.gz GXCJAHZHXWWKBT-UHFFFAOYSA-N 1 0 396.434 4.386 20 0 GIADRO COC(=O)C[C@](C)([NH2+]Cc1cnc2ccc(C)cc2c1)c1cccc(OC)c1 ZINC000411613520 823590913 /nfs/dbraw/zinc/59/09/13/823590913.db2.gz PSRTXKVDXLVORZ-QHCPKHFHSA-N 1 0 378.472 4.120 20 0 GIADRO CCCCOC(=O)c1ccc(NC(=O)NCc2cccc(C[NH+](C)C)c2)cc1 ZINC000061308692 823590935 /nfs/dbraw/zinc/59/09/35/823590935.db2.gz VVJIUYKANIPCPH-UHFFFAOYSA-N 1 0 383.492 4.027 20 0 GIADRO COCC[N@H+](CCC(=O)Nc1ccccc1-c1ccccc1)Cc1cccnc1 ZINC000411617742 823591048 /nfs/dbraw/zinc/59/10/48/823591048.db2.gz VEQPJXOCFLLBOY-UHFFFAOYSA-N 1 0 389.499 4.226 20 0 GIADRO C[C@@H](CC(F)F)C(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000411617174 823591081 /nfs/dbraw/zinc/59/10/81/823591081.db2.gz KRKUGVACOGQCLU-ZDUSSCGKSA-N 1 0 392.412 4.420 20 0 GIADRO CN(Cc1ccco1)C(=O)C[NH2+][C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000411618379 823591181 /nfs/dbraw/zinc/59/11/81/823591181.db2.gz UWYIEPLFTNDCNE-MSOLQXFVSA-N 1 0 380.410 4.183 20 0 GIADRO CCOc1c(Cl)cc(C[NH2+]CCCc2nc3ccccc3n2C)cc1OC ZINC000124390343 823592674 /nfs/dbraw/zinc/59/26/74/823592674.db2.gz JKLSJPWPSGDEDY-UHFFFAOYSA-N 1 0 387.911 4.356 20 0 GIADRO COc1ccc([C@H](NC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c2ccccc2)cc1 ZINC000061349206 823592814 /nfs/dbraw/zinc/59/28/14/823592814.db2.gz NLBWZRXGZNQATJ-YCRNBWNJSA-N 1 0 395.547 4.347 20 0 GIADRO Cc1nc(C(C)(C)C)sc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000061367538 823593697 /nfs/dbraw/zinc/59/36/97/823593697.db2.gz DNIDKICBOWZWNX-AWEZNQCLSA-N 1 0 377.579 4.377 20 0 GIADRO CCOC(=O)/C=C/c1ccc(NC(=O)NCCC[N@H+](C)C2CCCCC2)cc1 ZINC000061375201 823594041 /nfs/dbraw/zinc/59/40/41/823594041.db2.gz GHAPUBJJGMFPDE-NTCAYCPXSA-N 1 0 387.524 4.039 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)Nc2cc(F)cc(F)c2Br)cc1 ZINC000190639821 823594247 /nfs/dbraw/zinc/59/42/47/823594247.db2.gz PNDQEKNPRBVLOZ-UHFFFAOYSA-N 1 0 398.251 4.111 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NC[C@@H](c1ccccc1)C(C)C ZINC000124412226 823594512 /nfs/dbraw/zinc/59/45/12/823594512.db2.gz YOTFAPZEAPWGQN-JOCHJYFZSA-N 1 0 394.563 4.308 20 0 GIADRO CCOc1cccc(C[NH2+]CCCc2nc3ccccc3n2C)c1OC(F)F ZINC000124410834 823594535 /nfs/dbraw/zinc/59/45/35/823594535.db2.gz FQRUHMYHGHNUBG-UHFFFAOYSA-N 1 0 389.446 4.296 20 0 GIADRO CCS(=O)(=O)CCCCC[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1 ZINC000190656116 823595530 /nfs/dbraw/zinc/59/55/30/823595530.db2.gz MWCATGUZXBORHD-MSOLQXFVSA-N 1 0 387.611 4.021 20 0 GIADRO CNC(=O)[C@]1(C)CC[N@H+](Cc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)C1 ZINC000411670269 823596213 /nfs/dbraw/zinc/59/62/13/823596213.db2.gz FKXZQRXIGYNKPJ-GOSISDBHSA-N 1 0 397.466 4.095 20 0 GIADRO C[C@@H]1OCC[C@]1(O)C[N@H+](Cc1ccccc1)Cc1ccc(-c2ncco2)cc1F ZINC000411677444 823596507 /nfs/dbraw/zinc/59/65/07/823596507.db2.gz RAXILCIQVHUPFP-SBUREZEXSA-N 1 0 396.462 4.023 20 0 GIADRO CN1CC[C@@H]([NH2+]CCC(=O)Nc2c(Cl)cccc2Cl)[C@H]1c1ccccc1 ZINC000411693207 823597455 /nfs/dbraw/zinc/59/74/55/823597455.db2.gz LUUAMSAIXWQXJF-YLJYHZDGSA-N 1 0 392.330 4.357 20 0 GIADRO CCCC(=O)NC[C@H]1CCCN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)C1 ZINC000124448817 823597634 /nfs/dbraw/zinc/59/76/34/823597634.db2.gz LAJPHANAXHWJCR-CQSZACIVSA-N 1 0 379.426 4.386 20 0 GIADRO CCC[C@H](NC(=O)C(=O)Nc1cccc2c1C[N@@H+]([C@H](C)C(C)C)C2)C1CCC1 ZINC000411712543 823598898 /nfs/dbraw/zinc/59/88/98/823598898.db2.gz ZVVQYQKFUFBXJX-UZLBHIALSA-N 1 0 385.552 4.070 20 0 GIADRO CCN(Cc1c[nH]c2ccccc12)C(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000190694421 823599120 /nfs/dbraw/zinc/59/91/20/823599120.db2.gz UNIVCRAYXCJSAL-UHFFFAOYSA-N 1 0 384.568 4.458 20 0 GIADRO COC(=O)COc1ccccc1[C@H](C)[NH2+]Cc1cc(Br)ccc1C ZINC000190696168 823599262 /nfs/dbraw/zinc/59/92/62/823599262.db2.gz JBPUVWXUBQAUSL-AWEZNQCLSA-N 1 0 392.293 4.160 20 0 GIADRO CCCOc1c(Cl)cc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1OCC ZINC000124469060 823599285 /nfs/dbraw/zinc/59/92/85/823599285.db2.gz QVQQXDKHOFJOGQ-GDBMZVCRSA-N 1 0 382.932 4.082 20 0 GIADRO CCc1nnc(C2CC[NH+](Cc3cc(C)nc(-c4ccc(Cl)cc4)n3)CC2)[nH]1 ZINC000190698900 823599443 /nfs/dbraw/zinc/59/94/43/823599443.db2.gz FGQBUJQYGMNGEF-UHFFFAOYSA-N 1 0 396.926 4.166 20 0 GIADRO CC[C@H](NC(=O)N1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1)c1cccs1 ZINC000190699417 823599492 /nfs/dbraw/zinc/59/94/92/823599492.db2.gz FBKXARVFANKFGH-HOTGVXAUSA-N 1 0 392.594 4.128 20 0 GIADRO Cc1ccc(Br)cc1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000190699929 823599600 /nfs/dbraw/zinc/59/96/00/823599600.db2.gz GRERONZPRWSDBD-INIZCTEOSA-N 1 0 389.337 4.445 20 0 GIADRO CS(=O)(=O)c1ccc(C[NH2+][C@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)o1 ZINC000411717682 823599611 /nfs/dbraw/zinc/59/96/11/823599611.db2.gz JHNZMXPIHCMRNH-CVEARBPZSA-N 1 0 387.423 4.128 20 0 GIADRO COc1ccc(CC(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)cc1F ZINC000061499338 823599810 /nfs/dbraw/zinc/59/98/10/823599810.db2.gz PARNTFYZDLVSGM-SFHVURJKSA-N 1 0 390.524 4.028 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)Cc2cccc(OCc3ccccc3C)c2)CC1 ZINC000461214540 823599999 /nfs/dbraw/zinc/59/99/99/823599999.db2.gz HMBFQYBZBDLTHO-UHFFFAOYSA-N 1 0 394.559 4.355 20 0 GIADRO COc1ccc(CCCC(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1 ZINC000061502305 823600059 /nfs/dbraw/zinc/60/00/59/823600059.db2.gz TUFWYRMTSHKJLF-QHCPKHFHSA-N 1 0 380.532 4.280 20 0 GIADRO C[C@H]([NH2+]CCC(=O)Nc1cccc(C(F)(F)F)c1)c1ccc2n[nH]cc2c1 ZINC000411724766 823600084 /nfs/dbraw/zinc/60/00/84/823600084.db2.gz MSAFHVSPYYINHQ-LBPRGKRZSA-N 1 0 376.382 4.261 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)c2ccoc2CN2c3ccccc3C[C@H]2C)CC1 ZINC000461216312 823600173 /nfs/dbraw/zinc/60/01/73/823600173.db2.gz CSMAQJPBXUUXDB-GOSISDBHSA-N 1 0 395.547 4.083 20 0 GIADRO COC(=O)C[C@](C)([NH2+]Cc1ccc(OC(F)F)c(OC)c1)c1cccc(F)c1 ZINC000411725555 823600323 /nfs/dbraw/zinc/60/03/23/823600323.db2.gz GNMIAONUFFLDCN-FQEVSTJZSA-N 1 0 397.393 4.004 20 0 GIADRO O=C(CC[N@H+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1)Nc1ccccc1Cl ZINC000411728873 823600581 /nfs/dbraw/zinc/60/05/81/823600581.db2.gz LHPDCFWHDSNIKP-JKSUJKDBSA-N 1 0 390.936 4.169 20 0 GIADRO C[C@@H](OCCCNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000061521226 823601068 /nfs/dbraw/zinc/60/10/68/823601068.db2.gz CVYCSLXVJMKUCG-HXUWFJFHSA-N 1 0 395.547 4.250 20 0 GIADRO CSc1ccccc1NC(=O)CC[NH2+][C@@H](CCO)c1ccc(Cl)cc1 ZINC000411737541 823601162 /nfs/dbraw/zinc/60/11/62/823601162.db2.gz IKHBJAUMMZQLRW-INIZCTEOSA-N 1 0 378.925 4.104 20 0 GIADRO CCOc1ccc(NC(=O)CC[NH2+][C@H](C)c2ccc(OC)c(OC)c2C)cc1 ZINC000411739281 823601205 /nfs/dbraw/zinc/60/12/05/823601205.db2.gz NDYFANDGMUHTIP-MRXNPFEDSA-N 1 0 386.492 4.090 20 0 GIADRO COc1cc([C@@H](C)[NH2+]CCC(=O)N[C@H](c2cccs2)c2ccccc2)ccn1 ZINC000411741980 823601317 /nfs/dbraw/zinc/60/13/17/823601317.db2.gz QHIDBUZIXILWFK-ZHRRBRCNSA-N 1 0 395.528 4.098 20 0 GIADRO O=C(NCCCOCc1ccccc1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000061526691 823601479 /nfs/dbraw/zinc/60/14/79/823601479.db2.gz HZAIZPGTTKSPLB-UHFFFAOYSA-N 1 0 395.547 4.079 20 0 GIADRO CC1(C)C[C@@H](C(=O)NCC2CC[NH+](Cc3cccs3)CC2)c2ccccc2O1 ZINC000411742510 823601498 /nfs/dbraw/zinc/60/14/98/823601498.db2.gz DTCGXUDEUOODIY-HXUWFJFHSA-N 1 0 398.572 4.421 20 0 GIADRO CC[C@H](NC(=O)C(=O)Nc1cccc2c1C[N@@H+]([C@@H](C)C(C)C)C2)c1ccccc1 ZINC000411742950 823601544 /nfs/dbraw/zinc/60/15/44/823601544.db2.gz FXQJNPFTHHNNGN-UWJYYQICSA-N 1 0 393.531 4.253 20 0 GIADRO CC[NH2+]Cc1ccccc1NC(=O)CSCc1cc(-c2cccs2)on1 ZINC000124497841 823601545 /nfs/dbraw/zinc/60/15/45/823601545.db2.gz DERGTMOVDBFSRD-UHFFFAOYSA-N 1 0 387.530 4.385 20 0 GIADRO COC[C@H](NC(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C)c1cccc(Cl)c1 ZINC000461227909 823601602 /nfs/dbraw/zinc/60/16/02/823601602.db2.gz UFJMVANTNBBIQC-RYGJVYDSSA-N 1 0 389.927 4.018 20 0 GIADRO CC[C@H](NC(=O)C(=O)Nc1cccc2c1C[N@@H+]([C@H](C)C(C)C)C2)c1ccccc1 ZINC000411742927 823601573 /nfs/dbraw/zinc/60/15/73/823601573.db2.gz FXQJNPFTHHNNGN-UTKZUKDTSA-N 1 0 393.531 4.253 20 0 GIADRO CN1CC[C@@H]([NH2+]Cc2cc(-c3ccco3)on2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000411743237 823601710 /nfs/dbraw/zinc/60/17/10/823601710.db2.gz FIJDNPRMDGTDCS-APWZRJJASA-N 1 0 375.831 4.262 20 0 GIADRO CC(C)[C@](C)(CO)[NH2+]Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1 ZINC000411743365 823601769 /nfs/dbraw/zinc/60/17/69/823601769.db2.gz FMLKXCSZFRRXCQ-IBGZPJMESA-N 1 0 391.924 4.214 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)c2sc(Cc3ccc(F)cc3)nc2C)CC1 ZINC000461231689 823601795 /nfs/dbraw/zinc/60/17/95/823601795.db2.gz YJYSTIKDWZBCPG-UHFFFAOYSA-N 1 0 389.540 4.033 20 0 GIADRO O=C(C[C@@H](c1ccc(O)cc1)C1CC1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000411746763 823602113 /nfs/dbraw/zinc/60/21/13/823602113.db2.gz UKXNYRFEPSCIER-JOCHJYFZSA-N 1 0 396.556 4.463 20 0 GIADRO CC1(C)C[C@@H](C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c2ccccc2O1 ZINC000411759577 823602969 /nfs/dbraw/zinc/60/29/69/823602969.db2.gz PYZROLZMXVFPBP-FXAWDEMLSA-N 1 0 398.572 4.421 20 0 GIADRO C[C@@H]([NH2+]CCC(=O)Nc1ccc(Cl)cc1F)[C@H]1OCCc2sccc21 ZINC000411763560 823603419 /nfs/dbraw/zinc/60/34/19/823603419.db2.gz ZCXWRPKJJZZFFP-ADLMAVQZSA-N 1 0 382.888 4.161 20 0 GIADRO CCCOc1c(Cl)cc(C[NH2+]C[C@@H]2COc3ccccc3C2)cc1OC ZINC000061556072 823603636 /nfs/dbraw/zinc/60/36/36/823603636.db2.gz TUSMGNUVBQTANE-MRXNPFEDSA-N 1 0 375.896 4.478 20 0 GIADRO CSc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)cc1 ZINC000411780556 823604279 /nfs/dbraw/zinc/60/42/79/823604279.db2.gz FNDRROMJUQKTCW-ZQIUZPCESA-N 1 0 377.472 4.249 20 0 GIADRO CC(C)[C@@H](CO)[C@H]([NH2+]Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1)C(C)C ZINC000411783208 823604431 /nfs/dbraw/zinc/60/44/31/823604431.db2.gz FMOJYJFOCPNCFW-FZKQIMNGSA-N 1 0 389.521 4.036 20 0 GIADRO Cc1cccc(-n2c(SCC[NH+](C)C)nnc2-c2c[nH]c3ccccc23)c1 ZINC000061574054 823604836 /nfs/dbraw/zinc/60/48/36/823604836.db2.gz CPQXADFFAIRYEP-UHFFFAOYSA-N 1 0 377.517 4.378 20 0 GIADRO COCC[C@H]([NH2+]CCC(=O)Nc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000411794794 823605301 /nfs/dbraw/zinc/60/53/01/823605301.db2.gz UDEVAVKZZRKISV-SFHVURJKSA-N 1 0 380.410 4.401 20 0 GIADRO Cc1cc(C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cc(C)c1OCc1cccnc1 ZINC000461255136 823605706 /nfs/dbraw/zinc/60/57/06/823605706.db2.gz BWKXKQJJJBMCTI-JOCHJYFZSA-N 1 0 395.547 4.224 20 0 GIADRO C[C@@](CO)([NH2+]CCc1nc(-c2ccccc2)no1)c1cc(Cl)cc(Cl)c1 ZINC000411797540 823605752 /nfs/dbraw/zinc/60/57/52/823605752.db2.gz HVLUUJPIWPCTMA-IBGZPJMESA-N 1 0 392.286 4.083 20 0 GIADRO CC[C@@H](Cc1cccc(Br)c1)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000461256062 823605871 /nfs/dbraw/zinc/60/58/71/823605871.db2.gz GFPLDRQLHZKZRY-HKUYNNGSSA-N 1 0 395.385 4.351 20 0 GIADRO C[C@@H]([NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1)[C@@H](O)c1ccc(F)cc1 ZINC000124553377 823606112 /nfs/dbraw/zinc/60/61/12/823606112.db2.gz KLXZCCYOWPIXBQ-SPLOXXLWSA-N 1 0 394.893 4.294 20 0 GIADRO OCC[C@@H]([NH2+]CCc1nc(-c2ccccc2)no1)c1cccc(C(F)(F)F)c1 ZINC000411802035 823606143 /nfs/dbraw/zinc/60/61/43/823606143.db2.gz UYUPQSQLKYYAIP-QGZVFWFLSA-N 1 0 391.393 4.011 20 0 GIADRO C[C@H]1Cc2ccccc2N1Cc1occc1C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000461259380 823606749 /nfs/dbraw/zinc/60/67/49/823606749.db2.gz BXJSEPQGHNANFN-ICSRJNTNSA-N 1 0 395.547 4.177 20 0 GIADRO Cc1cccc(COc2cccc(CC(=O)N(C)[C@H]3CC[N@H+](C)[C@H](C)C3)c2)c1 ZINC000124575211 823607820 /nfs/dbraw/zinc/60/78/20/823607820.db2.gz CPUWBFNCZWPZHG-KNQAVFIVSA-N 1 0 380.532 4.058 20 0 GIADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000461267342 823608980 /nfs/dbraw/zinc/60/89/80/823608980.db2.gz ZPQUYOPGGUIOHA-MRXNPFEDSA-N 1 0 395.334 4.126 20 0 GIADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)CCc1ncc(-c2ccccc2Cl)o1 ZINC000461268535 823609334 /nfs/dbraw/zinc/60/93/34/823609334.db2.gz UZBBURZCLLFGGK-MRXNPFEDSA-N 1 0 389.927 4.260 20 0 GIADRO Cc1cc(N[C@H](C)c2nc(C(C)(C)C)no2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000190794972 823609977 /nfs/dbraw/zinc/60/99/77/823609977.db2.gz WYMKJGODRZYSBH-QGZVFWFLSA-N 1 0 385.556 4.379 20 0 GIADRO O=C(CCC[NH+]1CCC(c2ccncn2)CC1)c1ccc(Br)cc1 ZINC000411838015 823610730 /nfs/dbraw/zinc/61/07/30/823610730.db2.gz YLIVWJWZTSRGHS-UHFFFAOYSA-N 1 0 388.309 4.082 20 0 GIADRO O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N1Cc2ccccc2-c2ccccc2C1 ZINC000411867633 823611464 /nfs/dbraw/zinc/61/14/64/823611464.db2.gz JRBHYCWXXTWREZ-NRFANRHFSA-N 1 0 392.568 4.413 20 0 GIADRO Cc1cc(N(C)C)ccc1NC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000061751096 823611750 /nfs/dbraw/zinc/61/17/50/823611750.db2.gz PKXILUIDQGNWTJ-UHFFFAOYSA-N 1 0 386.565 4.156 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)N1CC2(CCOCC2)c2ccccc21)CC(C)C ZINC000190811197 823611926 /nfs/dbraw/zinc/61/19/26/823611926.db2.gz YGHSSELRCXHGTK-IBGZPJMESA-N 1 0 387.568 4.021 20 0 GIADRO CC[C@@H]([NH2+]CC(=O)N1CCC[C@H]1c1cc(OC)ccc1OC)c1ccccc1 ZINC000411883593 823612455 /nfs/dbraw/zinc/61/24/55/823612455.db2.gz NUSOMUKRHAXVBE-RTWAWAEBSA-N 1 0 382.504 4.108 20 0 GIADRO Cc1ccc([C@H](CNC(=O)Nc2ccccc2-n2cccn2)[NH+]2CCCC2)cc1 ZINC000061767977 823612756 /nfs/dbraw/zinc/61/27/56/823612756.db2.gz VLRWOLBWIPOXRB-QFIPXVFZSA-N 1 0 389.503 4.139 20 0 GIADRO CCC(=O)Nc1ccc(NC(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1 ZINC000061769744 823612876 /nfs/dbraw/zinc/61/28/76/823612876.db2.gz NBBLEULZIWFZAS-NRFANRHFSA-N 1 0 394.519 4.302 20 0 GIADRO Cc1c(F)cccc1NC(=O)CC[NH2+][C@H](c1cccs1)C1(CO)CCC1 ZINC000411887169 823612965 /nfs/dbraw/zinc/61/29/65/823612965.db2.gz YPIBVKAVQRSRDV-LJQANCHMSA-N 1 0 376.497 4.018 20 0 GIADRO CCOc1cc(NC(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)ccc1OC ZINC000061772097 823613033 /nfs/dbraw/zinc/61/30/33/823613033.db2.gz DIGMUILRIZAMLS-FQEVSTJZSA-N 1 0 397.519 4.361 20 0 GIADRO Cc1cc(-n2cccn2)ccc1NC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000190825000 823613363 /nfs/dbraw/zinc/61/33/63/823613363.db2.gz WJZFFGWVURYUHY-FQEVSTJZSA-N 1 0 395.551 4.157 20 0 GIADRO CCOc1ccc(NC(=O)NCC2CC[NH+](Cc3cccs3)CC2)c(C)c1 ZINC000061774764 823613433 /nfs/dbraw/zinc/61/34/33/823613433.db2.gz KQGWMLHGVJMZCV-UHFFFAOYSA-N 1 0 387.549 4.489 20 0 GIADRO CO[C@H]1c2ccccc2C[C@H]1[NH2+]CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000411894755 823613678 /nfs/dbraw/zinc/61/36/78/823613678.db2.gz SSTCCKBGPSJHLS-AEFFLSMTSA-N 1 0 398.812 4.199 20 0 GIADRO Cc1cc(-n2cccn2)ccc1NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000190829350 823613918 /nfs/dbraw/zinc/61/39/18/823613918.db2.gz XFQWYFQLSLWIGA-UHFFFAOYSA-N 1 0 395.551 4.345 20 0 GIADRO Cc1cc([C@@H](C)NC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)c(C)o1 ZINC000061791540 823614736 /nfs/dbraw/zinc/61/47/36/823614736.db2.gz WIRHFKUOKAWIIQ-MRXNPFEDSA-N 1 0 387.549 4.370 20 0 GIADRO CC1CCC(N(C)C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)CC1 ZINC000061793175 823614871 /nfs/dbraw/zinc/61/48/71/823614871.db2.gz NQROYWKPGJOLFV-UHFFFAOYSA-N 1 0 375.582 4.320 20 0 GIADRO CO[C@](C)([C@@H](C)[NH2+]Cc1ncc(-c2ccccc2Br)o1)C1CC1 ZINC000411941539 823615456 /nfs/dbraw/zinc/61/54/56/823615456.db2.gz HGKAWQSFXSYZCZ-KZULUSFZSA-N 1 0 379.298 4.397 20 0 GIADRO CCOC(C[NH+]1CCC(OCc2ccc(Cl)c(Cl)c2)CC1)OCC ZINC000124666386 823615522 /nfs/dbraw/zinc/61/55/22/823615522.db2.gz UZONOFIXGYRDAK-UHFFFAOYSA-N 1 0 376.324 4.374 20 0 GIADRO Cc1cccc2c1OCC[C@H]2NC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000190845276 823615694 /nfs/dbraw/zinc/61/56/94/823615694.db2.gz NSRFATYKHNSWLQ-POAQFYNOSA-N 1 0 399.560 4.262 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)N[C@@H](c2ccco2)c2ccccc2)c1 ZINC000061855870 823616232 /nfs/dbraw/zinc/61/62/32/823616232.db2.gz WXXZSXGFSIYUPU-JOCHJYFZSA-N 1 0 377.488 4.320 20 0 GIADRO O=C(CC[N@@H+]1C[C@@H](O)C[C@H]1c1ccccc1)Nc1cc(Cl)ccc1Cl ZINC000411956067 823616544 /nfs/dbraw/zinc/61/65/44/823616544.db2.gz VVPPCEMCTQLHDQ-YJBOKZPZSA-N 1 0 379.287 4.130 20 0 GIADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2cc(C)n(C(C)C)c2C)c1 ZINC000061867130 823616749 /nfs/dbraw/zinc/61/67/49/823616749.db2.gz NYEQMELIRULRLY-UHFFFAOYSA-N 1 0 398.551 4.010 20 0 GIADRO C[C@H](Cc1cccs1)NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000061868856 823616951 /nfs/dbraw/zinc/61/69/51/823616951.db2.gz JNDPIITXNTZIFS-QZTJIDSGSA-N 1 0 385.577 4.410 20 0 GIADRO CC(C)[C@H](NC(=O)c1cccc(C[NH+]2CCCCC2)c1)c1nc(C2CC2)no1 ZINC000411967109 823616977 /nfs/dbraw/zinc/61/69/77/823616977.db2.gz DAPPOUCRVXHDOP-IBGZPJMESA-N 1 0 382.508 4.060 20 0 GIADRO CO[C@@](C)([C@@H](C)[NH2+]CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)C1CC1 ZINC000411973506 823617280 /nfs/dbraw/zinc/61/72/80/823617280.db2.gz RUOBLOQRKDJOOF-ABKXIKBNSA-N 1 0 379.715 4.379 20 0 GIADRO CO[C@@](C)([C@H](C)[NH2+]Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C1CC1 ZINC000411970298 823617288 /nfs/dbraw/zinc/61/72/88/823617288.db2.gz MYUZKUPEANZYFJ-ZSEKCTLFSA-N 1 0 383.517 4.357 20 0 GIADRO CCN(C(=O)[C@H](C)[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1)C1CCCCC1 ZINC000411982108 823617935 /nfs/dbraw/zinc/61/79/35/823617935.db2.gz BZWVJGKPPPTRAV-SIKLNZKXSA-N 1 0 384.564 4.410 20 0 GIADRO O=C(N[C@@H]1CCCC[C@@H]1Cc1ccccc1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000411983655 823617969 /nfs/dbraw/zinc/61/79/69/823617969.db2.gz GFJLKUBFXMIKMP-YPAWHYETSA-N 1 0 386.605 4.122 20 0 GIADRO CSc1ccccc1OC[C@H](O)C[N@H+](Cc1cccc(C(C)=O)c1)C(C)C ZINC000411987140 823618135 /nfs/dbraw/zinc/61/81/35/823618135.db2.gz QHMGNEYQVLFSDZ-HXUWFJFHSA-N 1 0 387.545 4.261 20 0 GIADRO O=C1[C@@H]([N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)CCCN1c1ccccc1 ZINC000411994855 823619126 /nfs/dbraw/zinc/61/91/26/823619126.db2.gz BHNCTBUPSLJBPG-FCHUYYIVSA-N 1 0 376.500 4.036 20 0 GIADRO C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000411995359 823619196 /nfs/dbraw/zinc/61/91/96/823619196.db2.gz CRXONRCEKCTIJI-AVRDEDQJSA-N 1 0 396.506 4.026 20 0 GIADRO CC(C)n1ncc2cc(C[N@@H+]3CC4(CCOCC4)[C@H]3c3ccccc3)cnc21 ZINC000411996283 823619681 /nfs/dbraw/zinc/61/96/81/823619681.db2.gz GETAPCHTIRUZFV-OAQYLSRUSA-N 1 0 376.504 4.366 20 0 GIADRO CC1(C)C[C@H](C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c2ccccc2O1 ZINC000412000025 823620079 /nfs/dbraw/zinc/62/00/79/823620079.db2.gz CSKCBBQWCMAKCD-UNMCSNQZSA-N 1 0 392.543 4.012 20 0 GIADRO CC[C@@H](NC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1OC ZINC000061973227 823620867 /nfs/dbraw/zinc/62/08/67/823620867.db2.gz FFIFQFJTGZIBJM-TZIWHRDSSA-N 1 0 381.520 4.110 20 0 GIADRO COc1cc(C[NH2+][C@H](c2ccccc2)C2(CO)CCOCC2)ccc1SC ZINC000412006187 823621582 /nfs/dbraw/zinc/62/15/82/823621582.db2.gz CEYBWDXHARLMLZ-OAQYLSRUSA-N 1 0 387.545 4.037 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@@H](c2ccc(C)cc2)C2CC2)c1 ZINC000062002706 823621775 /nfs/dbraw/zinc/62/17/75/823621775.db2.gz KKYAEGQYURLBBX-QFIPXVFZSA-N 1 0 393.531 4.043 20 0 GIADRO O=c1[nH]c(CC[NH2+][C@H](c2ccccc2)C2(CO)CCCCC2)nc2ccccc21 ZINC000412011815 823622425 /nfs/dbraw/zinc/62/24/25/823622425.db2.gz VZFISMCKLQVKCH-JOCHJYFZSA-N 1 0 391.515 4.152 20 0 GIADRO OCC1([C@@H]([NH2+]CCCSCc2ccccc2)c2ccccc2)CCOCC1 ZINC000412010927 823622427 /nfs/dbraw/zinc/62/24/27/823622427.db2.gz NCEBCTJBZNPCLI-QFIPXVFZSA-N 1 0 385.573 4.430 20 0 GIADRO OCC1([C@H]([NH2+]CCCSCc2ccccc2)c2ccccc2)CCOCC1 ZINC000412010922 823622435 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O=C1CCCN1[C@H]1CCC[N@@H+](CC/C=C\c2ccc(Br)cc2)CC1 ZINC000412059579 823625047 /nfs/dbraw/zinc/62/50/47/823625047.db2.gz XQDBFDVGHYZIIU-YVZVBKNRSA-N 1 0 391.353 4.329 20 0 GIADRO CC(C)(C)n1nc(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1C1CC1 ZINC000062229980 823625098 /nfs/dbraw/zinc/62/50/98/823625098.db2.gz ISVKJUHZUOLXGM-LJQANCHMSA-N 1 0 394.563 4.158 20 0 GIADRO COC(=O)[C@]1(C)CCC[N@@H+]([C@H](C)c2nnc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC000412065953 823625360 /nfs/dbraw/zinc/62/53/60/823625360.db2.gz LHBAARTVGNHXGO-ADLMAVQZSA-N 1 0 398.290 4.380 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](c1ccc(F)cc1)N(C)C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000124776802 823625440 /nfs/dbraw/zinc/62/54/40/823625440.db2.gz CSMVFKXYQFCFIX-VFNWGFHPSA-N 1 0 384.499 4.063 20 0 GIADRO Cc1ccc(C)c(SCC(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000062231595 823625491 /nfs/dbraw/zinc/62/54/91/823625491.db2.gz UTUOONPOSXBICN-OAQYLSRUSA-N 1 0 382.573 4.424 20 0 GIADRO Cc1ccccc1C1(C[NH2+][C@H](C)C(=O)Nc2cccc(Cl)c2)CCOCC1 ZINC000062240341 823625692 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20 0 GIADRO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000412138786 823629611 /nfs/dbraw/zinc/62/96/11/823629611.db2.gz ZTMOHIXZPNAGQQ-WMZOPIPTSA-N 1 0 398.469 4.241 20 0 GIADRO CC(C)[C@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)c1ccc(Cl)cc1 ZINC000412141134 823629743 /nfs/dbraw/zinc/62/97/43/823629743.db2.gz WINZGRDLOODKLG-OALUTQOASA-N 1 0 380.985 4.371 20 0 GIADRO C#CC[N@H+](Cc1ccc(F)cc1)C[C@@H](O)CO[C@H](C)c1ccc(Cl)cc1 ZINC000062363650 823629831 /nfs/dbraw/zinc/62/98/31/823629831.db2.gz VIOOKFRDWSFUDE-IIBYNOLFSA-N 1 0 375.871 4.053 20 0 GIADRO CCc1cccc(C)c1NC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000062369151 823629986 /nfs/dbraw/zinc/62/99/86/823629986.db2.gz YEARZWAWPUOAPQ-UHFFFAOYSA-N 1 0 375.463 4.431 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000412154952 823631100 /nfs/dbraw/zinc/63/11/00/823631100.db2.gz CVMQRNKUHAXUFI-STZQEDGTSA-N 1 0 392.543 4.358 20 0 GIADRO CCC(CC)c1nnc(NC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)s1 ZINC000062378749 823631138 /nfs/dbraw/zinc/63/11/38/823631138.db2.gz KSYDGPQUKJWJCS-UHFFFAOYSA-N 1 0 393.532 4.177 20 0 GIADRO CC(C)Cn1ncc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1C(F)F ZINC000124851951 823631172 /nfs/dbraw/zinc/63/11/72/823631172.db2.gz QFDORAZXKQOXIN-SFHVURJKSA-N 1 0 390.478 4.044 20 0 GIADRO CO[C@]1(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccc(Cl)c2)CCOC1 ZINC000461414312 823631573 /nfs/dbraw/zinc/63/15/73/823631573.db2.gz IFDNMAMRRAMTIN-QFIPXVFZSA-N 1 0 397.906 4.088 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C[C@H](c1ccc(O)cc1)C1CC1 ZINC000412162328 823631788 /nfs/dbraw/zinc/63/17/88/823631788.db2.gz LXHYUCCRXVVELK-PUZWTLIVSA-N 1 0 392.543 4.303 20 0 GIADRO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cc(Cl)sc1Cl ZINC000190966977 823631956 /nfs/dbraw/zinc/63/19/56/823631956.db2.gz FHGUNOGVTYCPLV-AWEZNQCLSA-N 1 0 399.343 4.076 20 0 GIADRO O=C(Nc1cccc(OC(F)F)c1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000062389860 823632052 /nfs/dbraw/zinc/63/20/52/823632052.db2.gz ZFPJZCIGGGGHHL-UHFFFAOYSA-N 1 0 381.467 4.454 20 0 GIADRO CC1(C)C[N@H+](CCC(=O)Nc2ccccc2C(F)(F)F)CC2(CCCC2)O1 ZINC000190969785 823632457 /nfs/dbraw/zinc/63/24/57/823632457.db2.gz NKAHSECZOUATOX-UHFFFAOYSA-N 1 0 384.442 4.458 20 0 GIADRO CCOc1cc(F)ccc1NC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000062399818 823632679 /nfs/dbraw/zinc/63/26/79/823632679.db2.gz AEQBZJWPOYSLBN-UHFFFAOYSA-N 1 0 393.890 4.474 20 0 GIADRO CC[C@H](C)Oc1cc(C)ccc1CNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412178423 823633137 /nfs/dbraw/zinc/63/31/37/823633137.db2.gz WLAIAGAWFCMHCW-FXAWDEMLSA-N 1 0 390.593 4.006 20 0 GIADRO CC(C)(C)[C@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)c1ccc(F)cc1 ZINC000412179139 823633285 /nfs/dbraw/zinc/63/32/85/823633285.db2.gz XOYIQCQOMSYWCO-RBUKOAKNSA-N 1 0 378.557 4.247 20 0 GIADRO CC(C)OCc1ccc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000461422499 823633274 /nfs/dbraw/zinc/63/32/74/823633274.db2.gz CXGVZNIRIRZEQX-DNQXCXABSA-N 1 0 392.543 4.206 20 0 GIADRO COc1ccccc1-n1c(SC[C@@H]2CC[N@H+](C)C2)nnc1-c1cccs1 ZINC000190976046 823633334 /nfs/dbraw/zinc/63/33/34/823633334.db2.gz SWFWEEOJCOKXPV-CQSZACIVSA-N 1 0 386.546 4.048 20 0 GIADRO COc1c(Cl)cccc1NC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000062407437 823633451 /nfs/dbraw/zinc/63/34/51/823633451.db2.gz QUTIJWHOSQDFCE-UHFFFAOYSA-N 1 0 379.863 4.083 20 0 GIADRO O=C(CCCc1cc(F)ccc1F)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461422822 823633475 /nfs/dbraw/zinc/63/34/75/823633475.db2.gz JRKPSUBFWSQDNE-LEWJYISDSA-N 1 0 398.497 4.268 20 0 GIADRO O=C([C@@H]1CCC[C@H](C(F)(F)F)C1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461425455 823634013 /nfs/dbraw/zinc/63/40/13/823634013.db2.gz JCCDRVZKHGLUMG-ZRNYENFQSA-N 1 0 394.481 4.336 20 0 GIADRO Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)cc1 ZINC000412191063 823634412 /nfs/dbraw/zinc/63/44/12/823634412.db2.gz JFHKVFCCBUIVTA-FDFHNCONSA-N 1 0 386.605 4.307 20 0 GIADRO O=C([C@@H]1C[C@H]1c1cccc(O)c1)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000412195474 823634581 /nfs/dbraw/zinc/63/45/81/823634581.db2.gz PUINTVMAEOQBQB-ONTLXTELSA-N 1 0 390.527 4.009 20 0 GIADRO CC(C)(C)c1ncc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000461427540 823634684 /nfs/dbraw/zinc/63/46/84/823634684.db2.gz LTZWIWBTZBUZRD-ZWKOTPCHSA-N 1 0 383.561 4.035 20 0 GIADRO COc1ccccc1NC(=O)C1CC[NH+](C[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000190986097 823634759 /nfs/dbraw/zinc/63/47/59/823634759.db2.gz MDQWWYCYTGEHKA-LJQANCHMSA-N 1 0 386.536 4.228 20 0 GIADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)C[C@H](c2ccc(O)cc2)C2CC2)CC1 ZINC000412199771 823634913 /nfs/dbraw/zinc/63/49/13/823634913.db2.gz HMJXIDCDLYAOLR-HXOBKFHXSA-N 1 0 393.531 4.013 20 0 GIADRO O=C(NCc1ccc(F)cc1)C1CC[NH+](C[C@@H]2CCC3(CCCCC3)O2)CC1 ZINC000190986630 823635013 /nfs/dbraw/zinc/63/50/13/823635013.db2.gz NSFKXORSEMFTHQ-NRFANRHFSA-N 1 0 388.527 4.036 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Nc1nc(-c2ccccc2)ns1)c1ccco1 ZINC000062428976 823635146 /nfs/dbraw/zinc/63/51/46/823635146.db2.gz MOELDYPHGFWDLI-OAHLLOKOSA-N 1 0 385.493 4.003 20 0 GIADRO CCC(=O)N1CC[C@H]([NH2+]Cc2ccccc2Oc2ccc(F)cc2Cl)C1 ZINC000461429157 823635111 /nfs/dbraw/zinc/63/51/11/823635111.db2.gz NGPNGOSULOCGKM-INIZCTEOSA-N 1 0 376.859 4.372 20 0 GIADRO O=C(NCCc1cccs1)C1CC[NH+](C[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000190987497 823635223 /nfs/dbraw/zinc/63/52/23/823635223.db2.gz AZENJXAKYDALOQ-LJQANCHMSA-N 1 0 390.593 4.001 20 0 GIADRO O=C(c1cc2c(s1)-c1ccccc1OC2)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000461430179 823635318 /nfs/dbraw/zinc/63/53/18/823635318.db2.gz XAHVGWMJMYMKLC-INIZCTEOSA-N 1 0 382.529 4.256 20 0 GIADRO O=C(N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)C1(Cc2ccccc2F)CC1 ZINC000461430343 823635330 /nfs/dbraw/zinc/63/53/30/823635330.db2.gz PJKAYFNNBJHGDM-FGZHOGPDSA-N 1 0 392.518 4.129 20 0 GIADRO CCSc1cccc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000461431132 823635495 /nfs/dbraw/zinc/63/54/95/823635495.db2.gz QTTIWKRRZMRFJC-NHCUHLMSSA-N 1 0 380.557 4.393 20 0 GIADRO Cc1nc(C(C)(C)C)sc1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461431974 823635939 /nfs/dbraw/zinc/63/59/39/823635939.db2.gz OADSLYFRTWUUES-MOPGFXCFSA-N 1 0 397.588 4.343 20 0 GIADRO O=C(CCSc1ccccc1F)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461432730 823636084 /nfs/dbraw/zinc/63/60/84/823636084.db2.gz VGXGHIAYWQELCK-PMACEKPBSA-N 1 0 398.547 4.288 20 0 GIADRO NC(=O)C1CCC([NH2+]Cc2ccccc2Oc2ccc(F)cc2Cl)CC1 ZINC000461433066 823636092 /nfs/dbraw/zinc/63/60/92/823636092.db2.gz YACRFZFTVIHIKE-UHFFFAOYSA-N 1 0 376.859 4.405 20 0 GIADRO CCN(CCC[NH+]1CCCC1)C(=O)Nc1c(C)cc(Br)cc1OC ZINC000190998296 823636627 /nfs/dbraw/zinc/63/66/27/823636627.db2.gz QUHQFZQQBYMGND-UHFFFAOYSA-N 1 0 398.345 4.106 20 0 GIADRO CCNc1ccc(Cl)cc1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461436263 823636951 /nfs/dbraw/zinc/63/69/51/823636951.db2.gz NXZYWOCKKDFRBQ-MOPGFXCFSA-N 1 0 397.950 4.366 20 0 GIADRO CC(C)[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1)c1ccccc1 ZINC000062476223 823637369 /nfs/dbraw/zinc/63/73/69/823637369.db2.gz VYUKGMWOFFDWFN-OAQYLSRUSA-N 1 0 389.490 4.435 20 0 GIADRO C[C@H](CCc1ccccc1F)C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461438336 823637335 /nfs/dbraw/zinc/63/73/35/823637335.db2.gz LERGXVKGTAJSKR-UEVCKROQSA-N 1 0 394.534 4.375 20 0 GIADRO Cc1ccc(-n2ncc(C(=O)N3CC[C@@H](C[NH+]4CCCCC4)C3)c2C(C)C)cc1 ZINC000461439168 823637571 /nfs/dbraw/zinc/63/75/71/823637571.db2.gz PGYVCCZZTMAFDN-FQEVSTJZSA-N 1 0 394.563 4.252 20 0 GIADRO O=C(Nc1ccc(COc2ccccc2)cc1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412229836 823637710 /nfs/dbraw/zinc/63/77/10/823637710.db2.gz IDZSQPLCBFHKMA-OAQYLSRUSA-N 1 0 396.556 4.422 20 0 GIADRO O=C(c1c2c(sc1-n1cccc1)CCCC2)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000461439410 823637667 /nfs/dbraw/zinc/63/76/67/823637667.db2.gz RGDWJMITUZNLAG-SFHVURJKSA-N 1 0 397.588 4.366 20 0 GIADRO O=C(c1cccc(C[NH+]2CCCCC2)c1)N1CCC(Cc2cccnc2)CC1 ZINC000412230713 823637788 /nfs/dbraw/zinc/63/77/88/823637788.db2.gz OUGXIVARYIUICN-UHFFFAOYSA-N 1 0 377.532 4.162 20 0 GIADRO Cc1cc(C)c(C(=O)CCCC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c(C)c1 ZINC000461440244 823637813 /nfs/dbraw/zinc/63/78/13/823637813.db2.gz XHQIAFHWXJJBDA-NRFANRHFSA-N 1 0 384.564 4.299 20 0 GIADRO C[C@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)c1ccc(Cl)s1 ZINC000461440772 823638115 /nfs/dbraw/zinc/63/81/15/823638115.db2.gz ZJAXWXRITUMVPU-JQHSSLGASA-N 1 0 388.964 4.486 20 0 GIADRO CCn1cc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c2ccccc21 ZINC000461440803 823638141 /nfs/dbraw/zinc/63/81/41/823638141.db2.gz ZQQODTJEDILFBX-SFTDATJTSA-N 1 0 387.527 4.255 20 0 GIADRO C[N@H+](CCCNc1cc(C(F)(F)F)nc(-c2ccncc2)n1)C1CCCCC1 ZINC000461441711 823638211 /nfs/dbraw/zinc/63/82/11/823638211.db2.gz GYTPTYAXLVXAHJ-UHFFFAOYSA-N 1 0 393.457 4.046 20 0 GIADRO Cc1ccccc1OCCCC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461441777 823638229 /nfs/dbraw/zinc/63/82/29/823638229.db2.gz GJODUDYJCUCBPK-XZOQPEGZSA-N 1 0 392.543 4.135 20 0 GIADRO Cc1cc([C@@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)c(C)s1 ZINC000062486015 823638203 /nfs/dbraw/zinc/63/82/03/823638203.db2.gz IOZPAEZUZSNJAV-CQSZACIVSA-N 1 0 395.519 4.478 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)NCC(C)(C)c1ccccc1 ZINC000062486738 823638250 /nfs/dbraw/zinc/63/82/50/823638250.db2.gz RJANUQPQWAJTRZ-UHFFFAOYSA-N 1 0 389.490 4.016 20 0 GIADRO O=C(CCCOc1cccc2ccccc21)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000461442198 823638509 /nfs/dbraw/zinc/63/85/09/823638509.db2.gz HRJSPMFKWJDZIO-HXUWFJFHSA-N 1 0 380.532 4.333 20 0 GIADRO COc1ccc2occ(C(=O)N3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@@H]4C3)c2c1 ZINC000461442795 823638693 /nfs/dbraw/zinc/63/86/93/823638693.db2.gz FUCKKHOLGCOEQA-RBUKOAKNSA-N 1 0 390.483 4.036 20 0 GIADRO CC[C@H](CC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(OC)cc1 ZINC000124944124 823639261 /nfs/dbraw/zinc/63/92/61/823639261.db2.gz COUBIZKWFIKDJI-FGZHOGPDSA-N 1 0 394.559 4.260 20 0 GIADRO CCc1nc([C@H](C)NC2CC[NH+](CCOC(C)C)CC2)oc1-c1ccccc1 ZINC000124946326 823639462 /nfs/dbraw/zinc/63/94/62/823639462.db2.gz RACDNWFDYHTFRE-SFHVURJKSA-N 1 0 385.552 4.444 20 0 GIADRO O=C(Nc1cccc(N2CCCC2)c1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000062527917 823640106 /nfs/dbraw/zinc/64/01/06/823640106.db2.gz ASAUNIXZUOWJRQ-UHFFFAOYSA-N 1 0 384.568 4.453 20 0 GIADRO COc1ccccc1CCC(=O)N1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC000062554749 823641015 /nfs/dbraw/zinc/64/10/15/823641015.db2.gz LMWYFJOQAMRSLW-UHFFFAOYSA-N 1 0 392.543 4.242 20 0 GIADRO Cc1cc(C)cc(CCC(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000461455412 823641306 /nfs/dbraw/zinc/64/13/06/823641306.db2.gz KGDIOURKBXDQKW-DNQXCXABSA-N 1 0 376.544 4.217 20 0 GIADRO CCOC(=O)C1CCC(O)(C[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CC2)CC1 ZINC000191041416 823641422 /nfs/dbraw/zinc/64/14/22/823641422.db2.gz WOHMSHLVMLUUKI-RVSXGSNBSA-N 1 0 399.453 4.231 20 0 GIADRO C[C@H](Cc1ccccc1Cl)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461456965 823641435 /nfs/dbraw/zinc/64/14/35/823641435.db2.gz OLIHOQPAPUJPDU-QIJUGHKUSA-N 1 0 396.962 4.499 20 0 GIADRO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 ZINC000412266061 823641638 /nfs/dbraw/zinc/64/16/38/823641638.db2.gz YAQYUVFKLXLSND-SSGKUCQKSA-N 1 0 398.616 4.389 20 0 GIADRO COc1ccc(OC)c([C@@H](O)C[NH2+][C@H](C)c2cc(Cl)sc2Cl)c1 ZINC000124971779 823641670 /nfs/dbraw/zinc/64/16/70/823641670.db2.gz CCOZYEBZMSPBRZ-RNCFNFMXSA-N 1 0 376.305 4.456 20 0 GIADRO CC(C)(C)c1nc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cs1 ZINC000461459047 823641835 /nfs/dbraw/zinc/64/18/35/823641835.db2.gz YMNWDXGGMYQZAP-MSOLQXFVSA-N 1 0 383.561 4.035 20 0 GIADRO Cc1cc(NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)cc(C)c1Br ZINC000412291277 823643306 /nfs/dbraw/zinc/64/33/06/823643306.db2.gz XUQZCNCKDJHFJV-INIZCTEOSA-N 1 0 397.382 4.222 20 0 GIADRO C[C@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)c1ccc(Cl)cc1Cl ZINC000412292367 823643507 /nfs/dbraw/zinc/64/35/07/823643507.db2.gz MGILMHOKAMLFOL-WFASDCNBSA-N 1 0 387.376 4.388 20 0 GIADRO O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1cc2cc(Cl)ccn2n1 ZINC000461468952 823643566 /nfs/dbraw/zinc/64/35/66/823643566.db2.gz GORZFBNUSRFNFA-GOSISDBHSA-N 1 0 396.922 4.020 20 0 GIADRO CC[C@@H](Nc1ccccc1)C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000461471880 823643744 /nfs/dbraw/zinc/64/37/44/823643744.db2.gz IBMXUDQCPKRIMP-FYYLOGMGSA-N 1 0 379.548 4.296 20 0 GIADRO CC(=O)c1ccc(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC000461473878 823644049 /nfs/dbraw/zinc/64/40/49/823644049.db2.gz ITLGLCLRNRCWGJ-LJQANCHMSA-N 1 0 382.479 4.060 20 0 GIADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1nnc(-c2ccccc2)n1Cc1cccs1 ZINC000461477464 823644678 /nfs/dbraw/zinc/64/46/78/823644678.db2.gz FMYAWGFURRCQFR-HKUYNNGSSA-N 1 0 393.560 4.118 20 0 GIADRO O=C(N[C@@H]1CCSc2c(F)cccc21)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000125010119 823644814 /nfs/dbraw/zinc/64/48/14/823644814.db2.gz XCGVDGKKVLOLBD-NIKGAXFTSA-N 1 0 389.540 4.021 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)c2nnc(-c3ccccc3)n2Cc2cccs2)C[C@H]1C ZINC000461478195 823644841 /nfs/dbraw/zinc/64/48/41/823644841.db2.gz IBDJBUVTYUSDKB-MJGOQNOKSA-N 1 0 395.576 4.364 20 0 GIADRO CC[C@H](C(=O)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F)[NH+](CC)CC ZINC000461478527 823645022 /nfs/dbraw/zinc/64/50/22/823645022.db2.gz HSLWTZBUYDOVLR-KGLIPLIRSA-N 1 0 382.373 4.128 20 0 GIADRO C[C@@H](NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1cccc(O)c1 ZINC000191076869 823645655 /nfs/dbraw/zinc/64/56/55/823645655.db2.gz JWNLFDJPFSIOBW-DBXWQHBBSA-N 1 0 381.520 4.148 20 0 GIADRO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000412316881 823645749 /nfs/dbraw/zinc/64/57/49/823645749.db2.gz NNEDQZKXQPXLTE-PVSGBFIBSA-N 1 0 384.564 4.074 20 0 GIADRO c1csc(Cn2c(C3CCC3)nnc2N2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000461483392 823646051 /nfs/dbraw/zinc/64/60/51/823646051.db2.gz UOCPZQJJCJWYQL-GOSISDBHSA-N 1 0 385.581 4.110 20 0 GIADRO Cc1ccc2c(C[NH+]3CCC(Oc4ccc(F)cc4F)CC3)cc(=O)oc2c1 ZINC000125050366 823648098 /nfs/dbraw/zinc/64/80/98/823648098.db2.gz WYVRRRMKMSUKLH-UHFFFAOYSA-N 1 0 385.410 4.423 20 0 GIADRO CC(C)[NH+]1CCN(c2cccc(N[C@@H](C)c3nnc(-c4ccccc4)o3)c2)CC1 ZINC000125068443 823649621 /nfs/dbraw/zinc/64/96/21/823649621.db2.gz MQXYCJDGIWUCSF-SFHVURJKSA-N 1 0 391.519 4.440 20 0 GIADRO O=C(NCCc1cccc(C(F)(F)F)n1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412363207 823649864 /nfs/dbraw/zinc/64/98/64/823649864.db2.gz NCXFDGUZAMDREW-UHFFFAOYSA-N 1 0 391.437 4.059 20 0 GIADRO O=C([C@H]1C[C@]1(F)c1ccccc1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000412363974 823650020 /nfs/dbraw/zinc/65/00/20/823650020.db2.gz PHXCOLCNNKMNEU-RDGATRHJSA-N 1 0 392.518 4.386 20 0 GIADRO Cc1cccc(OCCC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000063080360 823650336 /nfs/dbraw/zinc/65/03/36/823650336.db2.gz LHGRRPQKORMBHE-UHFFFAOYSA-N 1 0 380.532 4.101 20 0 GIADRO COc1cccc(O[C@H](C)C[NH2+][C@@H](C)c2ccc(OCc3nccn3C)cc2)c1 ZINC000125080694 823650420 /nfs/dbraw/zinc/65/04/20/823650420.db2.gz MAACRQFGFUILIQ-MSOLQXFVSA-N 1 0 395.503 4.126 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000191113530 823650390 /nfs/dbraw/zinc/65/03/90/823650390.db2.gz WMXIKYOAFQGGOD-ZDUSSCGKSA-N 1 0 381.442 4.281 20 0 GIADRO Cc1cc(C)cc(OCCC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000063080397 823650435 /nfs/dbraw/zinc/65/04/35/823650435.db2.gz YWADUOIWEKHXSL-UHFFFAOYSA-N 1 0 380.532 4.101 20 0 GIADRO Cc1ccsc1-c1nnc(N2C[C@H]3CCC[N@H+]3C[C@H]2C)n1Cc1cccs1 ZINC000461505876 823650516 /nfs/dbraw/zinc/65/05/16/823650516.db2.gz GUKRVTNCSGCTIK-HZPDHXFCSA-N 1 0 399.589 4.098 20 0 GIADRO CC(C)COc1cccc(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000063081067 823650553 /nfs/dbraw/zinc/65/05/53/823650553.db2.gz WIHANLYRTXSXHH-UHFFFAOYSA-N 1 0 380.532 4.363 20 0 GIADRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000063081587 823650683 /nfs/dbraw/zinc/65/06/83/823650683.db2.gz DWPQAYWUSFGNCT-OALUTQOASA-N 1 0 382.470 4.384 20 0 GIADRO COCC[C@@H](NC(=O)CC[C@@H]1CCCC[N@@H+]1C)c1cccc(C(F)(F)F)c1 ZINC000412376519 823650767 /nfs/dbraw/zinc/65/07/67/823650767.db2.gz IHLJAIOAUIRUQE-ZWKOTPCHSA-N 1 0 386.458 4.164 20 0 GIADRO C[C@H](CC(F)F)C(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000412377676 823650951 /nfs/dbraw/zinc/65/09/51/823650951.db2.gz SKQSLBIKSJDEOE-OXQOHEQNSA-N 1 0 378.507 4.427 20 0 GIADRO Cc1ccccc1-c1nnc(SCC[C@H]2CCC[N@H+]2C)n1Cc1ccco1 ZINC000125105372 823651990 /nfs/dbraw/zinc/65/19/90/823651990.db2.gz ONVCHMYGJWWZIU-QGZVFWFLSA-N 1 0 382.533 4.471 20 0 GIADRO Fc1c(Cl)cccc1NC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000063143995 823652511 /nfs/dbraw/zinc/65/25/11/823652511.db2.gz MWJRFUMKDACBLX-UHFFFAOYSA-N 1 0 377.916 4.430 20 0 GIADRO CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000461518065 823652633 /nfs/dbraw/zinc/65/26/33/823652633.db2.gz CLGHIJKGDJQFDF-ZWKOTPCHSA-N 1 0 384.524 4.355 20 0 GIADRO C[C@H](c1ccc(F)cc1)N(C)C(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000063145869 823652687 /nfs/dbraw/zinc/65/26/87/823652687.db2.gz XOTPYGLUGUIFDS-QGZVFWFLSA-N 1 0 385.552 4.358 20 0 GIADRO CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)NC[C@H](C)[NH+](C)C ZINC000412396903 823652946 /nfs/dbraw/zinc/65/29/46/823652946.db2.gz XXHWFHSWIQJRIG-NSHDSACASA-N 1 0 384.307 4.452 20 0 GIADRO CCc1nc2cc(NC(=S)NC3CC[NH+](Cc4ccccc4)CC3)ccc2o1 ZINC000063149849 823653208 /nfs/dbraw/zinc/65/32/08/823653208.db2.gz URWZRVXHHMYVAY-UHFFFAOYSA-N 1 0 394.544 4.341 20 0 GIADRO CSc1ccc(CNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000063172915 823653954 /nfs/dbraw/zinc/65/39/54/823653954.db2.gz YGTFETVTSWUQKN-UHFFFAOYSA-N 1 0 385.602 4.037 20 0 GIADRO C=CCNC(=S)N(Cc1ccc(Cl)c(Cl)c1)C[C@H](C(C)C)[NH+](C)C ZINC000063179199 823654328 /nfs/dbraw/zinc/65/43/28/823654328.db2.gz STLRDYDWHIMFDX-QGZVFWFLSA-N 1 0 388.408 4.442 20 0 GIADRO Cc1cc(NC(=O)C[C@H](c2cccs2)n2cccc2)ccc1OCC[NH+](C)C ZINC000412417517 823654324 /nfs/dbraw/zinc/65/43/24/823654324.db2.gz NDNOMXOLDOGORO-LJQANCHMSA-N 1 0 397.544 4.417 20 0 GIADRO Cc1c([C@H](C)[NH2+]C[C@@H](O)c2ccco2)cnn1-c1ccc(Cl)cc1Cl ZINC000125145756 823654804 /nfs/dbraw/zinc/65/48/04/823654804.db2.gz ZQDPRATZUAMHNW-APPDUMDISA-N 1 0 380.275 4.465 20 0 GIADRO CC(C)CC[N@@H+]1Cc2cccc(NC(=O)CCOCC(F)(F)C(F)F)c2C1 ZINC000191159763 823654930 /nfs/dbraw/zinc/65/49/30/823654930.db2.gz SBCBPPKYCCDRGI-UHFFFAOYSA-N 1 0 390.421 4.294 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC000191169867 823655818 /nfs/dbraw/zinc/65/58/18/823655818.db2.gz ARVCOVMVWSGNQV-HZPDHXFCSA-N 1 0 377.529 4.016 20 0 GIADRO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000125170982 823656593 /nfs/dbraw/zinc/65/65/93/823656593.db2.gz QGITUINHWYYTTE-GOSISDBHSA-N 1 0 388.577 4.489 20 0 GIADRO CCO[C@@H]1C[C@@H](NC(=O)C2CC[NH+](Cc3ccccc3)CC2)C12CCCCC2 ZINC000461549172 823657060 /nfs/dbraw/zinc/65/70/60/823657060.db2.gz VWARIVFRAOVQBE-FGZHOGPDSA-N 1 0 384.564 4.143 20 0 GIADRO CCCn1c(C)cc(/C=C(/C#N)C(=O)NC2CC[NH+](CC3CCCC3)CC2)c1C ZINC000063272571 823658686 /nfs/dbraw/zinc/65/86/86/823658686.db2.gz BWJKDBBUKZXDPM-JCMHNJIXSA-N 1 0 396.579 4.193 20 0 GIADRO COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)Nc2cc(C[NH+]3CCCC3)ccc2C)c1 ZINC000191201048 823658786 /nfs/dbraw/zinc/65/87/86/823658786.db2.gz KDSSZMYWJWUJNY-PZJWPPBQSA-N 1 0 394.515 4.350 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(C(=O)NC[C@H]2CCCO2)c1)c1csc(Cl)c1 ZINC000191211411 823659533 /nfs/dbraw/zinc/65/95/33/823659533.db2.gz CUTYQZXTUMWHQZ-CXAGYDPISA-N 1 0 378.925 4.161 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)Cc2ccoc2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000125217529 823659859 /nfs/dbraw/zinc/65/98/59/823659859.db2.gz DHYBOIASEJBUNB-APWZRJJASA-N 1 0 380.410 4.040 20 0 GIADRO CCOc1ccc(C(=O)N2CCC([NH2+][C@@H](C)c3cnn(C(C)C)c3C)CC2)cc1 ZINC000191220007 823660326 /nfs/dbraw/zinc/66/03/26/823660326.db2.gz KVFJHQFXENSAPL-KRWDZBQOSA-N 1 0 398.551 4.127 20 0 GIADRO CC(=O)c1ccc2c(c1)CN(C(=O)C1(C)CC[NH+](Cc3ccccc3)CC1)C2 ZINC000412538997 823660338 /nfs/dbraw/zinc/66/03/38/823660338.db2.gz YDJMVFLXNILDCR-UHFFFAOYSA-N 1 0 376.500 4.034 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)CC3CCC4(CC3)OCCO4)cc2)C1 ZINC000191223785 823660721 /nfs/dbraw/zinc/66/07/21/823660721.db2.gz QLLLWSFNRKSHDK-GOSISDBHSA-N 1 0 386.536 4.180 20 0 GIADRO O=C(NCCc1cccs1)C1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000063301963 823661023 /nfs/dbraw/zinc/66/10/23/823661023.db2.gz AOKMCBBHIRAMFC-UHFFFAOYSA-N 1 0 396.478 4.338 20 0 GIADRO CCOc1c(Cl)cc(C(=O)Nc2ccc(C[NH+](C)C)cc2F)cc1OC ZINC000412551103 823661459 /nfs/dbraw/zinc/66/14/59/823661459.db2.gz QZGCJBVUMOPZRC-UHFFFAOYSA-N 1 0 380.847 4.200 20 0 GIADRO Cc1ccccc1C(=O)NC1CC[NH+](Cc2ccc(OCC3CC3)cc2)CC1 ZINC000191229898 823661511 /nfs/dbraw/zinc/66/15/11/823661511.db2.gz PAMLCEJDIQXVIG-UHFFFAOYSA-N 1 0 378.516 4.178 20 0 GIADRO Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000191237165 823661931 /nfs/dbraw/zinc/66/19/31/823661931.db2.gz ICORLORFSBDIMD-UHFFFAOYSA-N 1 0 395.425 4.271 20 0 GIADRO C[C@H](Oc1ccccc1Br)C(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000412555599 823661961 /nfs/dbraw/zinc/66/19/61/823661961.db2.gz CCNSCAYNAUNJIO-LBPRGKRZSA-N 1 0 395.272 4.056 20 0 GIADRO CCOc1cccc([C@H](C)NC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)c1 ZINC000063320858 823662123 /nfs/dbraw/zinc/66/21/23/823662123.db2.gz WJPHBBZHCLPGQJ-SFHVURJKSA-N 1 0 396.535 4.028 20 0 GIADRO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@@H]1CC[C@@H](C)c2ccccc21 ZINC000125251868 823662428 /nfs/dbraw/zinc/66/24/28/823662428.db2.gz XQTOJCVFKXYUQH-VGOFRKELSA-N 1 0 386.561 4.243 20 0 GIADRO C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000412562653 823662777 /nfs/dbraw/zinc/66/27/77/823662777.db2.gz XUFHTJIHRFBXLQ-ZDUSSCGKSA-N 1 0 376.859 4.388 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)c1cc2ccc(Cl)cc2[nH]1 ZINC000412563802 823662982 /nfs/dbraw/zinc/66/29/82/823662982.db2.gz MKROQEAJMQVPLN-UHFFFAOYSA-N 1 0 387.867 4.023 20 0 GIADRO COc1ccc2ccc(C(=O)Nc3ccc(OCC[NH+](C)C)cc3OC)cc2c1 ZINC000412564596 823663024 /nfs/dbraw/zinc/66/30/24/823663024.db2.gz AZGPXFTZKSYZSS-UHFFFAOYSA-N 1 0 394.471 4.050 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000412568276 823663265 /nfs/dbraw/zinc/66/32/65/823663265.db2.gz GIYIKZXQCPHGFK-HNNXBMFYSA-N 1 0 390.911 4.106 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)c1cc(C)c(C)cc1Cl ZINC000412571229 823663527 /nfs/dbraw/zinc/66/35/27/823663527.db2.gz KKHHEQNQJBCYSF-UHFFFAOYSA-N 1 0 376.884 4.158 20 0 GIADRO Cc1c([C@@H](C)[NH2+]C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cnn1C(C)(C)C ZINC000191251613 823663565 /nfs/dbraw/zinc/66/35/65/823663565.db2.gz NMOXPAXXKQAIDQ-NVXWUHKLSA-N 1 0 378.561 4.244 20 0 GIADRO C[C@H](Cc1ccc(Br)cc1)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000125274905 823664049 /nfs/dbraw/zinc/66/40/49/823664049.db2.gz SFSICNUIIBKGFA-CQSZACIVSA-N 1 0 381.358 4.007 20 0 GIADRO Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000191256531 823664041 /nfs/dbraw/zinc/66/40/41/823664041.db2.gz DVRNDXFJHGPWDH-UHFFFAOYSA-N 1 0 395.425 4.083 20 0 GIADRO O=C(c1cc(C2CC2)on1)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000461580292 823664115 /nfs/dbraw/zinc/66/41/15/823664115.db2.gz PJWIZSHHTKTSBW-UHFFFAOYSA-N 1 0 379.504 4.213 20 0 GIADRO C[C@H](NC(=O)CCc1ccc(Cl)cc1Cl)C1([NH+]2CCOCC2)CCCC1 ZINC000461581895 823664468 /nfs/dbraw/zinc/66/44/68/823664468.db2.gz URRDNTLJZVALRC-HNNXBMFYSA-N 1 0 399.362 4.076 20 0 GIADRO COCCN(C)c1ccc(C[NH2+]Cc2ccc(-c3ccc(OC)cc3)s2)cn1 ZINC000191271220 823665943 /nfs/dbraw/zinc/66/59/43/823665943.db2.gz WQQPAIMKDFIQKP-UHFFFAOYSA-N 1 0 397.544 4.191 20 0 GIADRO CCOc1ccc(OCC)c(NC(=O)NC2CC[NH+](CC3CCCC3)CC2)c1 ZINC000063389619 823666624 /nfs/dbraw/zinc/66/66/24/823666624.db2.gz OMNDOPXWFRTTRV-UHFFFAOYSA-N 1 0 389.540 4.260 20 0 GIADRO O=C(N[C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412615909 823667513 /nfs/dbraw/zinc/66/75/13/823667513.db2.gz UWIAMRNSQRZUEV-RLLQIKCJSA-N 1 0 392.996 4.310 20 0 GIADRO CC1(C(=O)Nc2ncn(C3CCCCC3)n2)CC[NH+](Cc2ccccc2)CC1 ZINC000191294455 823668492 /nfs/dbraw/zinc/66/84/92/823668492.db2.gz ZUCVSTNUGXZVPQ-UHFFFAOYSA-N 1 0 381.524 4.024 20 0 GIADRO CC[C@@H](NC(=O)NC1CCC(C[NH+](C)C)CC1)c1nc(C(F)(F)F)cs1 ZINC000125331555 823668556 /nfs/dbraw/zinc/66/85/56/823668556.db2.gz NWZBQDMHHUXEKW-WXRRBKDZSA-N 1 0 392.491 4.033 20 0 GIADRO C[C@@H]([NH2+]CCCOC1CCCC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000125339511 823669141 /nfs/dbraw/zinc/66/91/41/823669141.db2.gz FMXOUJXJMRKQAN-QGZVFWFLSA-N 1 0 379.566 4.403 20 0 GIADRO Cc1ccc(C[NH2+]Cc2ccc(N(C)C(C)C)nc2)c(OCC(F)(F)F)c1 ZINC000191306038 823669571 /nfs/dbraw/zinc/66/95/71/823669571.db2.gz MPSVRLWBSCJRDR-UHFFFAOYSA-N 1 0 381.442 4.466 20 0 GIADRO CCCN(CCC[NH+](C)C)C(=O)Nc1ccc(OC(F)F)c2ncccc12 ZINC000191310572 823670109 /nfs/dbraw/zinc/67/01/09/823670109.db2.gz SREGXIWHAJRAKG-UHFFFAOYSA-N 1 0 380.439 4.032 20 0 GIADRO COc1ccc(C)cc1NC(=O)[C@@H]([NH2+][C@H](C)C1CCOCC1)c1ccccc1 ZINC000125365180 823670863 /nfs/dbraw/zinc/67/08/63/823670863.db2.gz GNKTUXIBUPNWQP-VGSWGCGISA-N 1 0 382.504 4.088 20 0 GIADRO CC[C@H](c1ccc(F)cc1)[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191317972 823671051 /nfs/dbraw/zinc/67/10/51/823671051.db2.gz XRBQXDBLGFAEMM-CQSZACIVSA-N 1 0 388.434 4.359 20 0 GIADRO C[NH+](C)CC1CCC(NC(=O)N2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000125379448 823671762 /nfs/dbraw/zinc/67/17/62/823671762.db2.gz WTTQEPBLPNDUJR-UHFFFAOYSA-N 1 0 382.552 4.177 20 0 GIADRO CCCCNC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)C1 ZINC000125391300 823672662 /nfs/dbraw/zinc/67/26/62/823672662.db2.gz ACVYEXBBRUYKEF-GOEBONIOSA-N 1 0 390.915 4.079 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)C[C@@H](c2ccccc2)C1 ZINC000412667899 823673301 /nfs/dbraw/zinc/67/33/01/823673301.db2.gz BEMWVTXOIYWEKO-MQGJPIDWSA-N 1 0 386.605 4.293 20 0 GIADRO C[C@H]1C[C@@H](c2ccccc2)C[C@@H](NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)C1 ZINC000412667894 823673327 /nfs/dbraw/zinc/67/33/27/823673327.db2.gz BEMWVTXOIYWEKO-KVJIRVJXSA-N 1 0 386.605 4.293 20 0 GIADRO COc1ccc(C)cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000125401702 823673483 /nfs/dbraw/zinc/67/34/83/823673483.db2.gz AGYMVJABBOZEJH-UONOGXRCSA-N 1 0 378.419 4.283 20 0 GIADRO C[C@@H]([NH2+][C@H](C)C1CCOCC1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000125418719 823674659 /nfs/dbraw/zinc/67/46/59/823674659.db2.gz YXNULPLNRNRDJF-GHMZBOCLSA-N 1 0 378.822 4.091 20 0 GIADRO Cc1nc(COc2ccc(C[NH2+]CCOc3ccc(C(C)(C)C)cc3)cc2)no1 ZINC000063508306 823676929 /nfs/dbraw/zinc/67/69/29/823676929.db2.gz DEWOXXQCEJXVRN-UHFFFAOYSA-N 1 0 395.503 4.423 20 0 GIADRO Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+](C)Cc1ccccc1C(F)(F)F ZINC000125448216 823677032 /nfs/dbraw/zinc/67/70/32/823677032.db2.gz UGVIQBJJUNEBFJ-UHFFFAOYSA-N 1 0 397.441 4.102 20 0 GIADRO C[C@H]1CN(Cc2cccc(C[NH2+]Cc3ccc(CSC(F)F)o3)c2)CCO1 ZINC000063524290 823677609 /nfs/dbraw/zinc/67/76/09/823677609.db2.gz AIDLMESZQKWEMV-HNNXBMFYSA-N 1 0 396.503 4.246 20 0 GIADRO CC(C)N(C)c1ccc(CNc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)cn1 ZINC000191392416 823679927 /nfs/dbraw/zinc/67/99/27/823679927.db2.gz YOERLDFHUKPYKM-OALUTQOASA-N 1 0 382.552 4.148 20 0 GIADRO CC[C@@H](C(=O)N1CCCC[C@@H]1c1nc(-c2cccc(F)c2)c[nH]1)[NH+](CC)CC ZINC000461682672 823680643 /nfs/dbraw/zinc/68/06/43/823680643.db2.gz OROUSSYRXLTUSM-VQTJNVASSA-N 1 0 386.515 4.390 20 0 GIADRO CC[C@H](C(=O)N1CC2(CCOCC2)[C@H]1c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000412751242 823680780 /nfs/dbraw/zinc/68/07/80/823680780.db2.gz ZAUXHROINIRPHB-DHIUTWEWSA-N 1 0 392.543 4.277 20 0 GIADRO CCCOc1c(Cl)cc(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1OCC ZINC000461686715 823681264 /nfs/dbraw/zinc/68/12/64/823681264.db2.gz HNYBIPIUQLRPDX-CQSZACIVSA-N 1 0 384.948 4.234 20 0 GIADRO COc1ccc([C@H](CN[C@@H](c2ncc[nH]2)c2ccccc2)[NH+]2CCCCC2)cc1 ZINC000125518547 823682387 /nfs/dbraw/zinc/68/23/87/823682387.db2.gz SMSJNUYIJGITEK-XZOQPEGZSA-N 1 0 390.531 4.325 20 0 GIADRO COc1ccc(CN(C)C(=O)c2oc3ccccc3c2C[NH+](C)C)cc1Cl ZINC000412790906 823683055 /nfs/dbraw/zinc/68/30/55/823683055.db2.gz ALYQNGWLCQTNPC-UHFFFAOYSA-N 1 0 386.879 4.429 20 0 GIADRO CCCC1CCC([N@H+](C)Cc2csc(-c3c(C)c(C)nn(C)c3=O)n2)CC1 ZINC000191420714 823683388 /nfs/dbraw/zinc/68/33/88/823683388.db2.gz BZZRAYDXOPFYAH-UHFFFAOYSA-N 1 0 388.581 4.311 20 0 GIADRO CC(C)[N@H+](CC(=O)NCC(F)(F)F)Cc1ccc(-c2cccc(F)c2)s1 ZINC000063614880 823683391 /nfs/dbraw/zinc/68/33/91/823683391.db2.gz NXONKIPEFPXJHS-UHFFFAOYSA-N 1 0 388.430 4.443 20 0 GIADRO COc1cccc(CN(C)C(=O)C[N@@H+]2CCC[C@H]2c2ccc(C)c(C)c2)c1OC ZINC000063619289 823683499 /nfs/dbraw/zinc/68/34/99/823683499.db2.gz UPVLHCUSGKLWLF-NRFANRHFSA-N 1 0 396.531 4.116 20 0 GIADRO C[C@@H](Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)c1csc(Cl)c1 ZINC000191424677 823683923 /nfs/dbraw/zinc/68/39/23/823683923.db2.gz KPRYXGXLYILNQY-CYBMUJFWSA-N 1 0 377.941 4.272 20 0 GIADRO CC(C)c1nn(CN2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c(=S)n1C ZINC000125548176 823684304 /nfs/dbraw/zinc/68/43/04/823684304.db2.gz DATDSVGUDAVXPM-KRWDZBQOSA-N 1 0 379.618 4.008 20 0 GIADRO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+](CCCOc2ccc(Cl)cc2)C1 ZINC000063626910 823684634 /nfs/dbraw/zinc/68/46/34/823684634.db2.gz NLEPRYVKTDNWEY-MRXNPFEDSA-N 1 0 382.932 4.346 20 0 GIADRO C[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2cc(C3CC3)nc3ccc(F)cc32)CC1 ZINC000125559419 823685095 /nfs/dbraw/zinc/68/50/95/823685095.db2.gz BJEBGVBTQIXSNV-HNNXBMFYSA-N 1 0 381.495 4.340 20 0 GIADRO C[NH+](C)CC1CCN(c2ccc(NCc3ccc(Br)o3)cc2)CC1 ZINC000191438797 823685265 /nfs/dbraw/zinc/68/52/65/823685265.db2.gz GDUNCCWPMBHECR-UHFFFAOYSA-N 1 0 392.341 4.432 20 0 GIADRO Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c12 ZINC000461710490 823685630 /nfs/dbraw/zinc/68/56/30/823685630.db2.gz ZGTITMHHSUUBOQ-AWEZNQCLSA-N 1 0 398.482 4.043 20 0 GIADRO Cc1nc(-c2ccc(C)cc2C)sc1C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000063636703 823685705 /nfs/dbraw/zinc/68/57/05/823685705.db2.gz QTFLWKDFHMGEQV-UHFFFAOYSA-N 1 0 392.528 4.093 20 0 GIADRO CCOc1ccccc1NC(=O)[C@H]([NH2+][C@@H](C)C1CCOCC1)c1ccccc1 ZINC000125593062 823688276 /nfs/dbraw/zinc/68/82/76/823688276.db2.gz HMSWWHBKZLAMMS-HTAPYJJXSA-N 1 0 382.504 4.170 20 0 GIADRO Cc1ccc(NC(=O)C2CC[NH+](CCc3c(F)cccc3Cl)CC2)nc1 ZINC000125593935 823688350 /nfs/dbraw/zinc/68/83/50/823688350.db2.gz COICXXLUMDWJKL-UHFFFAOYSA-N 1 0 375.875 4.076 20 0 GIADRO O=C(COc1ccc(F)cc1F)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000063679427 823688999 /nfs/dbraw/zinc/68/89/99/823688999.db2.gz UBNJEISZRXXOMG-UHFFFAOYSA-N 1 0 388.458 4.036 20 0 GIADRO CCc1nn(C)c(CC)c1C[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000191483354 823689810 /nfs/dbraw/zinc/68/98/10/823689810.db2.gz JQDADXDBKPBRRA-UHFFFAOYSA-N 1 0 376.751 4.312 20 0 GIADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)CCSc2nc3ccccc3s2)C1 ZINC000063694971 823689970 /nfs/dbraw/zinc/68/99/70/823689970.db2.gz HTDKIOQDUIUOAG-OAHLLOKOSA-N 1 0 377.579 4.015 20 0 GIADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000063694998 823689979 /nfs/dbraw/zinc/68/99/79/823689979.db2.gz AVIVTFINMMLLOQ-HNNXBMFYSA-N 1 0 383.517 4.407 20 0 GIADRO CCN(CC)c1ccc(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000063702511 823690171 /nfs/dbraw/zinc/69/01/71/823690171.db2.gz RRSABSJIAOACBE-OAQYLSRUSA-N 1 0 379.548 4.175 20 0 GIADRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+]C[C@]1(CCO)CCOC1 ZINC000125617802 823690455 /nfs/dbraw/zinc/69/04/55/823690455.db2.gz GGGIYAZFQYLEGL-YJYMSZOUSA-N 1 0 380.941 4.212 20 0 GIADRO Brc1cccc([C@H]([NH2+]C2CCN(C3CC3)CC2)C2CCOCC2)c1 ZINC000191490191 823690572 /nfs/dbraw/zinc/69/05/72/823690572.db2.gz HRJXBJSSGKVAOW-HXUWFJFHSA-N 1 0 393.369 4.133 20 0 GIADRO COC[C@@H](Cc1ccccc1)[N@H+](C)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000191492879 823691052 /nfs/dbraw/zinc/69/10/52/823691052.db2.gz MVWFJQWVATWTCD-HSZRJFAPSA-N 1 0 380.532 4.002 20 0 GIADRO COc1ccc(C(C)(C)CNC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)cc1 ZINC000063721797 823691561 /nfs/dbraw/zinc/69/15/61/823691561.db2.gz RUOWHJOTBNRVJD-LJQANCHMSA-N 1 0 398.522 4.140 20 0 GIADRO CCc1c(C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cnn1-c1cccc(Cl)c1 ZINC000063723080 823691712 /nfs/dbraw/zinc/69/17/12/823691712.db2.gz XAYNMBCODOIVKR-UHFFFAOYSA-N 1 0 388.943 4.035 20 0 GIADRO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]C[C@@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000125632408 823691711 /nfs/dbraw/zinc/69/17/11/823691711.db2.gz SJEQFMWYJWQJPA-SJKOYZFVSA-N 1 0 385.430 4.229 20 0 GIADRO CC(C)(C)[N@@H+]1CCCN(C(=O)CCOc2ccccc2-c2ccccc2)CC1 ZINC000063723987 823691781 /nfs/dbraw/zinc/69/17/81/823691781.db2.gz DONDXLKWQRTMPZ-UHFFFAOYSA-N 1 0 380.532 4.455 20 0 GIADRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(CN3CCCC3=O)cc1)CCS2 ZINC000191498904 823691804 /nfs/dbraw/zinc/69/18/04/823691804.db2.gz LWLAMYHSSIXUPS-FQEVSTJZSA-N 1 0 382.529 4.144 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(NC(=O)[C@@H]3CCCO3)c1)CCS2 ZINC000191501281 823692098 /nfs/dbraw/zinc/69/20/98/823692098.db2.gz GTAHNEYKMZONEM-UXHICEINSA-N 1 0 398.528 4.139 20 0 GIADRO CC(C)(C)[N@@H+]1CCCN(C(=O)COC(c2ccccc2)c2ccccc2)CC1 ZINC000063726797 823692136 /nfs/dbraw/zinc/69/21/36/823692136.db2.gz KUBGJWSGWOIJMF-UHFFFAOYSA-N 1 0 380.532 4.125 20 0 GIADRO CC(C)(C)[N@@H+]1CCCN(C(=O)CCSc2ccc(Br)cc2)CC1 ZINC000063727813 823692370 /nfs/dbraw/zinc/69/23/70/823692370.db2.gz OVZQZOUAXUGCDT-UHFFFAOYSA-N 1 0 399.398 4.264 20 0 GIADRO C[C@@H](CNC(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1)[NH+]1CCCC1 ZINC000063732979 823692511 /nfs/dbraw/zinc/69/25/11/823692511.db2.gz UODDZRKZHLKDTL-INIZCTEOSA-N 1 0 393.462 4.362 20 0 GIADRO C[NH+](C)C1CCN(C(=O)c2cccnc2Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000063734633 823692690 /nfs/dbraw/zinc/69/26/90/823692690.db2.gz PSPOPYJXGUOQQI-UHFFFAOYSA-N 1 0 393.318 4.298 20 0 GIADRO CCOC(=O)N1CCC([NH2+][C@@H](C)c2cnn(-c3cccc(Cl)c3)c2C)CC1 ZINC000125644808 823693027 /nfs/dbraw/zinc/69/30/27/823693027.db2.gz CLAKJJRKVARPCL-AWEZNQCLSA-N 1 0 390.915 4.106 20 0 GIADRO CCCn1ccnc1CCC[N@H+](C)[C@H](C)C(=O)Nc1cccc(Cl)c1C ZINC000191508351 823693215 /nfs/dbraw/zinc/69/32/15/823693215.db2.gz JVFBCPQPRKUOGD-MRXNPFEDSA-N 1 0 376.932 4.147 20 0 GIADRO CCc1c(C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)cnn1-c1ccccc1 ZINC000063745604 823693257 /nfs/dbraw/zinc/69/32/57/823693257.db2.gz NYQBKJWITYGQOS-UHFFFAOYSA-N 1 0 394.563 4.163 20 0 GIADRO Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000063749544 823693364 /nfs/dbraw/zinc/69/33/64/823693364.db2.gz MLYKXEPZZTUAEK-RYUDHWBXSA-N 1 0 399.482 4.474 20 0 GIADRO COc1ccccc1-c1csc(C2CC[NH+](CCC(=O)OC(C)C)CC2)n1 ZINC000191508917 823693408 /nfs/dbraw/zinc/69/34/08/823693408.db2.gz UNWIWFXYTUFKRP-UHFFFAOYSA-N 1 0 388.533 4.340 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1cc(-c2ccc(Cl)s2)on1 ZINC000063757963 823693779 /nfs/dbraw/zinc/69/37/79/823693779.db2.gz CXMGYJCAGIPVQH-ZDUSSCGKSA-N 1 0 381.929 4.441 20 0 GIADRO CN(C)c1ccc(CNC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000063777681 823695228 /nfs/dbraw/zinc/69/52/28/823695228.db2.gz JFCJWFAJGZJDKT-UHFFFAOYSA-N 1 0 394.563 4.128 20 0 GIADRO CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000461790070 823695648 /nfs/dbraw/zinc/69/56/48/823695648.db2.gz GUPKHOHPHYTCPE-HKUYNNGSSA-N 1 0 399.539 4.094 20 0 GIADRO CCC[C@H](CC)[NH2+][C@@H](c1ccc(OC)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000125676463 823695844 /nfs/dbraw/zinc/69/58/44/823695844.db2.gz RBYBBCZLUGWION-RXVVDRJESA-N 1 0 375.534 4.356 20 0 GIADRO COc1ccc(OC)c([C@H](C)[NH2+]Cc2ccc(C)nc2-n2cc(Cl)cn2)c1 ZINC000191531791 823696324 /nfs/dbraw/zinc/69/63/24/823696324.db2.gz YREPMPGIRFVGSZ-AWEZNQCLSA-N 1 0 386.883 4.097 20 0 GIADRO OCC[C@]1(C[NH2+][C@@H](CCSc2ccccc2)c2ccc(F)cc2)CCOC1 ZINC000125689345 823696921 /nfs/dbraw/zinc/69/69/21/823696921.db2.gz DICUSLRIKVHKRE-FCHUYYIVSA-N 1 0 389.536 4.428 20 0 GIADRO Cc1cc(C[C@@H](C)[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)[nH]n1 ZINC000191535257 823696972 /nfs/dbraw/zinc/69/69/72/823696972.db2.gz FTVOUGJVZINBNV-BFUOFWGJSA-N 1 0 392.341 4.169 20 0 GIADRO Cc1cccc(C[NH2+]C2CCN(CCC(F)(F)F)CC2)c1Br ZINC000191537238 823697182 /nfs/dbraw/zinc/69/71/82/823697182.db2.gz TYRUUABSEUBVTQ-UHFFFAOYSA-N 1 0 379.264 4.264 20 0 GIADRO O=C1C[C@@]2(CN1)CCC[N@@H+](Cc1ccccc1Oc1ccc(F)cc1Cl)C2 ZINC000461801268 823697309 /nfs/dbraw/zinc/69/73/09/823697309.db2.gz LRRVKDRQOXQXBY-OAQYLSRUSA-N 1 0 388.870 4.374 20 0 GIADRO CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000461801412 823697486 /nfs/dbraw/zinc/69/74/86/823697486.db2.gz FAAQVOHAEUBAGO-KBXCAEBGSA-N 1 0 391.947 4.183 20 0 GIADRO CC(C)c1nnc(S[C@H]2CC[N@H+](Cc3ccccc3)C2)n1Cc1ccco1 ZINC000412984919 823697754 /nfs/dbraw/zinc/69/77/54/823697754.db2.gz DISAZZVFTYHDEL-IBGZPJMESA-N 1 0 382.533 4.409 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+][C@H](CC(C)C)C(=O)Nc1nccs1)CCS2 ZINC000191539980 823697760 /nfs/dbraw/zinc/69/77/60/823697760.db2.gz CRDHMFMHVKQYRC-HZPDHXFCSA-N 1 0 391.562 4.332 20 0 GIADRO COCc1ccc(CNC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000063799440 823697962 /nfs/dbraw/zinc/69/79/62/823697962.db2.gz CVRSPMXZLQRDNV-UHFFFAOYSA-N 1 0 395.547 4.208 20 0 GIADRO CC[C@@H](c1nnc(SCCCN2CC[NH+](C(C)C)CC2)o1)c1ccccc1 ZINC000412993197 823698724 /nfs/dbraw/zinc/69/87/24/823698724.db2.gz MUQLFHWRGKONKD-LJQANCHMSA-N 1 0 388.581 4.120 20 0 GIADRO CC(C)N(C)c1ccc(C[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)cn1 ZINC000191550620 823698772 /nfs/dbraw/zinc/69/87/72/823698772.db2.gz OXLKJHNFCFCTOQ-UYAOXDASSA-N 1 0 377.891 4.339 20 0 GIADRO CC(C)N(C)c1ccc(CNc2ccc(N3CCC([NH+](C)C)CC3)cc2)cn1 ZINC000191555299 823699134 /nfs/dbraw/zinc/69/91/34/823699134.db2.gz WCYIKKDYDXNPHP-UHFFFAOYSA-N 1 0 381.568 4.069 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@H]2CCN(CC(F)(F)F)C2)cnn1-c1cccc(Cl)c1 ZINC000125712556 823699201 /nfs/dbraw/zinc/69/92/01/823699201.db2.gz BSPNRVNUNXGIGB-WFASDCNBSA-N 1 0 386.849 4.121 20 0 GIADRO C[N@@H+]1CCC[C@H](COC(=O)[C@@H]2CCCOC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000125727520 823700797 /nfs/dbraw/zinc/70/07/97/823700797.db2.gz ZHNBZQGHUAKDKU-NUJGCVRESA-N 1 0 385.426 4.058 20 0 GIADRO Cc1cccc([C@H](NC(=O)NCCCC[NH+]2CCC(C)CC2)c2ccccn2)c1 ZINC000125732208 823701502 /nfs/dbraw/zinc/70/15/02/823701502.db2.gz HFBKDIOXZFZJRS-QHCPKHFHSA-N 1 0 394.563 4.291 20 0 GIADRO COc1ccc(F)cc1[C@@H](C)[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000163323483 823701565 /nfs/dbraw/zinc/70/15/65/823701565.db2.gz KPCWNMAFNLUCGV-CQSZACIVSA-N 1 0 390.886 4.443 20 0 GIADRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cc(-c3cccs3)nc3ccccc32)C1 ZINC000063852154 823702446 /nfs/dbraw/zinc/70/24/46/823702446.db2.gz PJHJKAGZAOHKIE-MRXNPFEDSA-N 1 0 379.529 4.425 20 0 GIADRO O=C(Nc1cc2c(cc1Cl)OCCO2)c1cccc(C[NH+]2CCCCC2)c1 ZINC000413071923 823703264 /nfs/dbraw/zinc/70/32/64/823703264.db2.gz KHVQOXUKKVEHJJ-UHFFFAOYSA-N 1 0 386.879 4.349 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)CNc2cc(Cl)ccc2OC)c1 ZINC000063862777 823703604 /nfs/dbraw/zinc/70/36/04/823703604.db2.gz ZAPPSUJEWCOITL-UHFFFAOYSA-N 1 0 375.900 4.241 20 0 GIADRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000063865863 823703814 /nfs/dbraw/zinc/70/38/14/823703814.db2.gz MCNYKBKEJWIQTB-NSHDSACASA-N 1 0 382.348 4.186 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1)c1ccc(N2CCOC2=O)cc1 ZINC000163362527 823704096 /nfs/dbraw/zinc/70/40/96/823704096.db2.gz BBJGVWIGIVILLC-MAUKXSAKSA-N 1 0 385.895 4.226 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2OC)cc1Cn1cccn1 ZINC000163366993 823704309 /nfs/dbraw/zinc/70/43/09/823704309.db2.gz CSGPUMQVSQMWJH-HOTGVXAUSA-N 1 0 383.467 4.500 20 0 GIADRO C[C@H]([NH2+]CCCO[C@@H](C)c1ccccc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000163377730 823704997 /nfs/dbraw/zinc/70/49/97/823704997.db2.gz RSFOAYLBPMNUGY-HOTGVXAUSA-N 1 0 379.497 4.048 20 0 GIADRO CC[N@H+](CCC(=O)Nc1ccc(Cl)cc1)CC(=O)Nc1c(C)cccc1C ZINC000163388655 823705828 /nfs/dbraw/zinc/70/58/28/823705828.db2.gz OCJKYUIZUVVHNG-UHFFFAOYSA-N 1 0 387.911 4.246 20 0 GIADRO CC(C)[NH+]1CCC(N(C)C(=O)[C@@H](C)Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000413095480 823706003 /nfs/dbraw/zinc/70/60/03/823706003.db2.gz RYOFNXWFZMUVAA-HNNXBMFYSA-N 1 0 386.458 4.095 20 0 GIADRO O=C(Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000574348377 823706123 /nfs/dbraw/zinc/70/61/23/823706123.db2.gz BNFUALLZXQPKMY-INIZCTEOSA-N 1 0 391.393 4.458 20 0 GIADRO COc1ccc2oc(CNCC3([NH2+][C@H](C)c4ccccc4)CCOCC3)cc2c1 ZINC000125766460 823706277 /nfs/dbraw/zinc/70/62/77/823706277.db2.gz HCGSKKKCBJUWPG-GOSISDBHSA-N 1 0 394.515 4.431 20 0 GIADRO COCC[C@@H](Cc1cccc(F)c1)[NH2+][C@H](C)c1nc(Cc2ccccc2)no1 ZINC000191596994 823707449 /nfs/dbraw/zinc/70/74/49/823707449.db2.gz CKDLCVAUAJAHGF-UZLBHIALSA-N 1 0 383.467 4.098 20 0 GIADRO CC(C)(C)C[C@H]1CCN(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1(C)C ZINC000413103774 823707664 /nfs/dbraw/zinc/70/76/64/823707664.db2.gz WUYINXMRJJUOLE-GOSISDBHSA-N 1 0 386.584 4.292 20 0 GIADRO COC(=O)COc1c(C)cc(C[NH2+][C@@H](c2ccc(OC)cc2)C(C)C)cc1C ZINC000063903521 823708496 /nfs/dbraw/zinc/70/84/96/823708496.db2.gz QHNCSLZNQWEXEY-JOCHJYFZSA-N 1 0 385.504 4.351 20 0 GIADRO Cc1ccncc1CCC[N@@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000574366931 823710373 /nfs/dbraw/zinc/71/03/73/823710373.db2.gz ZWANOKITJPVNBZ-IBGZPJMESA-N 1 0 380.467 4.391 20 0 GIADRO O=C(Nc1ccccc1C(=O)N1CCCCC1)c1cccc(C[NH+]2CCCC2)c1 ZINC000063914747 823710467 /nfs/dbraw/zinc/71/04/67/823710467.db2.gz KWZQSUILMIQQBB-UHFFFAOYSA-N 1 0 391.515 4.161 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1c[nH]cc1-c1ccc(Cl)s1)Cc1ccccc1 ZINC000063913919 823710633 /nfs/dbraw/zinc/71/06/33/823710633.db2.gz HUJLFVZHVUABDN-HNNXBMFYSA-N 1 0 387.936 4.299 20 0 GIADRO CC(C)CC(=O)N1CCC([NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000163456124 823711297 /nfs/dbraw/zinc/71/12/97/823711297.db2.gz WZVMDWSQNADTAU-SFHVURJKSA-N 1 0 384.442 4.199 20 0 GIADRO C[C@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1ccc(Br)cc1F ZINC000125793481 823711938 /nfs/dbraw/zinc/71/19/38/823711938.db2.gz XYZTYIKJAUBQSG-LBPRGKRZSA-N 1 0 395.272 4.137 20 0 GIADRO OCC[C@@]1(C[NH2+][C@H](Cc2ccc(F)cc2)c2ccccc2Cl)CCOC1 ZINC000125792572 823712057 /nfs/dbraw/zinc/71/20/57/823712057.db2.gz FKEIDURDSOVBMP-RTWAWAEBSA-N 1 0 377.887 4.142 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]CCCOC[C@H]1CCCO1 ZINC000163463758 823712107 /nfs/dbraw/zinc/71/21/07/823712107.db2.gz MHZNVJQKQLAPLZ-KBXCAEBGSA-N 1 0 378.513 4.494 20 0 GIADRO C[C@@H](C(=O)Nc1ccc(Cl)cc1NC(=O)c1ccco1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000413140342 823714000 /nfs/dbraw/zinc/71/40/00/823714000.db2.gz FYXOLKXAIQOOEU-MJBXVCDLSA-N 1 0 389.883 4.385 20 0 GIADRO Cc1ccc(-n2ncc(NC(=O)N3CC[C@H]([NH+]4CCCCC4)C3)c2C(C)C)cc1 ZINC000574379893 823714655 /nfs/dbraw/zinc/71/46/55/823714655.db2.gz NIAJUTKXLRGRFY-FQEVSTJZSA-N 1 0 395.551 4.396 20 0 GIADRO O[C@@H](C[NH2+]Cc1ccc(C(F)(F)F)cc1)COc1cccc2ccccc21 ZINC000574386154 823715593 /nfs/dbraw/zinc/71/55/93/823715593.db2.gz JCZGHIPDDOBBRT-SFHVURJKSA-N 1 0 375.390 4.388 20 0 GIADRO CN(C)C(=O)c1cc(NC(=O)c2cccc(C[NH+]3CCCCC3)c2)ccc1Cl ZINC000413154685 823717084 /nfs/dbraw/zinc/71/70/84/823717084.db2.gz KYNLGVRWRBZPHH-UHFFFAOYSA-N 1 0 399.922 4.280 20 0 GIADRO Cc1ccc(N2CCC([NH2+][C@H](C)c3ccc(F)cc3OC(F)F)CC2)nc1 ZINC000163533878 823718973 /nfs/dbraw/zinc/71/89/73/823718973.db2.gz XCPQZIDJZKZUKM-CQSZACIVSA-N 1 0 379.426 4.450 20 0 GIADRO COCc1cccc(C[NH+]2CCC(c3noc(-c4ccccc4OC)n3)CC2)c1 ZINC000191633208 823720151 /nfs/dbraw/zinc/72/01/51/823720151.db2.gz GMSBHLHZJYXTRK-UHFFFAOYSA-N 1 0 393.487 4.271 20 0 GIADRO CC(C)Sc1ccc([C@@H](C)[NH2+]Cc2cc(Cl)cc(S(N)(=O)=O)c2)cc1 ZINC000574404581 823720577 /nfs/dbraw/zinc/72/05/77/823720577.db2.gz XUGJSJVHAAQCRA-CYBMUJFWSA-N 1 0 398.981 4.339 20 0 GIADRO COc1ccc(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c(OC(F)F)c1 ZINC000191640515 823721811 /nfs/dbraw/zinc/72/18/11/823721811.db2.gz PSYFMFRNWGSZAR-CVEARBPZSA-N 1 0 396.478 4.023 20 0 GIADRO Cc1nc(CC2CC2)sc1C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000191640740 823722078 /nfs/dbraw/zinc/72/20/78/823722078.db2.gz ZUBCZXOBKPRWHF-YJBOKZPZSA-N 1 0 375.582 4.131 20 0 GIADRO CC1(C)[C@H](Oc2ccccc2)C[C@@H]1[NH2+]C[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1 ZINC000574421966 823725172 /nfs/dbraw/zinc/72/51/72/823725172.db2.gz ZULGBEJWDZJXDY-YDZRNGNQSA-N 1 0 383.492 4.003 20 0 GIADRO CCCCn1c([C@@H](CC)[NH+](C)C)nn(CN2CCS[C@@H](C)CC2)c1=S ZINC000191661196 823726245 /nfs/dbraw/zinc/72/62/45/823726245.db2.gz MCIGJXUJONBLNF-JKSUJKDBSA-N 1 0 385.647 4.012 20 0 GIADRO O=S(=O)(Nc1ccc(CC[NH+]2CCCCC2)cc1)c1ccc(C(F)F)cc1 ZINC000574432230 823727373 /nfs/dbraw/zinc/72/73/73/823727373.db2.gz KYPZMDZSFHGLCQ-UHFFFAOYSA-N 1 0 394.487 4.453 20 0 GIADRO C[C@H]([NH2+]C1(CNC(=O)c2ccc(F)c(Cl)c2)CCOCC1)c1ccccc1 ZINC000125848652 823727616 /nfs/dbraw/zinc/72/76/16/823727616.db2.gz CVNYNECHPUZZAH-HNNXBMFYSA-N 1 0 390.886 4.109 20 0 GIADRO COc1ccc(C[NH2+]C[C@@](C)(O)C2CCCCC2)cc1OCc1cccnc1 ZINC000191667830 823728035 /nfs/dbraw/zinc/72/80/35/823728035.db2.gz GIUDEDWNANSYLD-HSZRJFAPSA-N 1 0 384.520 4.090 20 0 GIADRO CS(=O)(=O)Cc1ccc(C[NH2+][C@@H]2CCc3c2ccc(Cl)c3Cl)cc1 ZINC000125851870 823728551 /nfs/dbraw/zinc/72/85/51/823728551.db2.gz KRIIRIPDROOVFK-QGZVFWFLSA-N 1 0 384.328 4.315 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1)c1ccncc1 ZINC000163626369 823729119 /nfs/dbraw/zinc/72/91/19/823729119.db2.gz SMJLMUTXCSOIBV-GUYCJALGSA-N 1 0 376.298 4.302 20 0 GIADRO CCOc1cc(C[NH+]2CCC(Oc3ccc(F)nc3)CC2)ccc1OC(F)F ZINC000191677832 823730007 /nfs/dbraw/zinc/73/00/07/823730007.db2.gz DAZGKEBJPYPHHZ-UHFFFAOYSA-N 1 0 396.409 4.264 20 0 GIADRO COc1ccccc1[C@H](NC(=O)N1CCC(CCC[NH+](C)C)CC1)c1ccco1 ZINC000163639904 823730970 /nfs/dbraw/zinc/73/09/70/823730970.db2.gz LAIZIIUYTIVSFS-QFIPXVFZSA-N 1 0 399.535 4.141 20 0 GIADRO CCCOCc1ccccc1C[NH2+][C@H](C)CC(=O)Nc1cccnc1Cl ZINC000163642741 823731482 /nfs/dbraw/zinc/73/14/82/823731482.db2.gz IPGJRQGVSGSSIT-OAHLLOKOSA-N 1 0 375.900 4.169 20 0 GIADRO C[C@H](CC(=O)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1)[C@H]1CCC[NH2+]C1 ZINC000574450835 823733678 /nfs/dbraw/zinc/73/36/78/823733678.db2.gz UWVIMNDPYHMPHE-VCBZYWHSSA-N 1 0 386.433 4.128 20 0 GIADRO CC[NH+]1CCC(CNC(=O)NCC2(c3cccc(C(F)(F)F)c3)CCC2)CC1 ZINC000574452077 823734643 /nfs/dbraw/zinc/73/46/43/823734643.db2.gz RURXBXKFAFEYIB-UHFFFAOYSA-N 1 0 397.485 4.158 20 0 GIADRO O=C(Nc1cc(F)c(N2CCCC2)c(F)c1)c1cccc(C[NH+]2CCCC2)c1 ZINC000064026805 823736319 /nfs/dbraw/zinc/73/63/19/823736319.db2.gz QCBKIAPGHLBGIP-UHFFFAOYSA-N 1 0 385.458 4.413 20 0 GIADRO C[C@@H]([NH2+][C@H](CN1CCOCC1)c1ccccc1)c1ccc(Br)s1 ZINC000163688139 823737478 /nfs/dbraw/zinc/73/74/78/823737478.db2.gz OIUHFIOMFITTPY-GDBMZVCRSA-N 1 0 395.366 4.235 20 0 GIADRO COCOc1ccc(OC)cc1CNCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000163696125 823738671 /nfs/dbraw/zinc/73/86/71/823738671.db2.gz CAOKUNMVUBAWBW-LJQANCHMSA-N 1 0 398.547 4.342 20 0 GIADRO C[C@@H]([NH2+][C@@H](CN1CCOCC1)c1ccccc1)c1ccccc1OC(F)F ZINC000163699646 823738853 /nfs/dbraw/zinc/73/88/53/823738853.db2.gz SIEPDLRJNYPYCP-APWZRJJASA-N 1 0 376.447 4.012 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@H]2CCN(CC(F)(F)F)C2)ccc1SC(F)F ZINC000125895345 823739024 /nfs/dbraw/zinc/73/90/24/823739024.db2.gz XTRMMJUECJNFNE-PWSUYJOCSA-N 1 0 384.414 4.297 20 0 GIADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)Nc2nc3ccccc3s2)CC1 ZINC000163702974 823739141 /nfs/dbraw/zinc/73/91/41/823739141.db2.gz TXWWZUSADOZLOR-AWEZNQCLSA-N 1 0 381.505 4.038 20 0 GIADRO O=C(NC1CCCCC1)N1CCC([NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000574471491 823739232 /nfs/dbraw/zinc/73/92/32/823739232.db2.gz QSYOSXITWBUEFW-HXUWFJFHSA-N 1 0 387.572 4.127 20 0 GIADRO C[NH+](C)Cc1cccc(C(=O)N[C@H](COc2ccccc2F)c2ccccc2)c1 ZINC000461889868 823740340 /nfs/dbraw/zinc/74/03/40/823740340.db2.gz YXZXEQKHIQCPAO-JOCHJYFZSA-N 1 0 392.474 4.437 20 0 GIADRO Cc1cc2ncc(-c3nc(-c4ccccc4C[NH+]4CCCCC4)no3)c(C)n2n1 ZINC000574475801 823740428 /nfs/dbraw/zinc/74/04/28/823740428.db2.gz JHVRMDOYAVPHGN-UHFFFAOYSA-N 1 0 388.475 4.049 20 0 GIADRO CCN(CCC[NH+](C)C)C(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000191705337 823741325 /nfs/dbraw/zinc/74/13/25/823741325.db2.gz CROBVROTTJCJLT-UHFFFAOYSA-N 1 0 398.338 4.044 20 0 GIADRO C[C@H](C(=O)NC[C@H](c1ccsc1)[NH+](C)C)c1cccc(Br)c1 ZINC000461895903 823742834 /nfs/dbraw/zinc/74/28/34/823742834.db2.gz CXSJCQDGPQCOHZ-BLLLJJGKSA-N 1 0 381.339 4.033 20 0 GIADRO CC[C@@H](CNC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)CC(F)(F)F ZINC000413278445 823743671 /nfs/dbraw/zinc/74/36/71/823743671.db2.gz HVIXVHUNHKAQMO-JKSUJKDBSA-N 1 0 385.474 4.490 20 0 GIADRO CC[C@@H](CNC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1)CC(F)(F)F ZINC000413278444 823743690 /nfs/dbraw/zinc/74/36/90/823743690.db2.gz HVIXVHUNHKAQMO-HZPDHXFCSA-N 1 0 385.474 4.490 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+][C@@H](CN2CCOCC2)c2ccccc2)cc1OCC ZINC000163745282 823744332 /nfs/dbraw/zinc/74/43/32/823744332.db2.gz BOFBKKVTJAZKJJ-UGKGYDQZSA-N 1 0 398.547 4.208 20 0 GIADRO COc1ccc(C[NH2+]C[C@](C)(Cc2ccccc2)[C@@H](C)O)c(Cl)c1OC ZINC000191717004 823745213 /nfs/dbraw/zinc/74/52/13/823745213.db2.gz JGHRWWJVMMDCNT-VFNWGFHPSA-N 1 0 377.912 4.077 20 0 GIADRO C[C@H](O)[C@@](C)(C[NH2+]Cc1csc(COc2ccccc2)n1)Cc1ccccc1 ZINC000191717085 823745528 /nfs/dbraw/zinc/74/55/28/823745528.db2.gz OXESLKLHVZNLKT-FDDCHVKYSA-N 1 0 396.556 4.442 20 0 GIADRO Clc1cccc2c1SCC[C@@H]2[NH2+]Cc1cccc(CN2CCOCC2)c1 ZINC000163751702 823745650 /nfs/dbraw/zinc/74/56/50/823745650.db2.gz HKVWDZMDHAVYPH-FQEVSTJZSA-N 1 0 388.964 4.499 20 0 GIADRO CC[C@@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccncc1 ZINC000163772503 823747144 /nfs/dbraw/zinc/74/71/44/823747144.db2.gz CPUZFHIJQMAZQF-DYESRHJHSA-N 1 0 387.549 4.058 20 0 GIADRO COc1cc([C@H](C)[NH2+]CC2(c3ccccc3)CCCC2)ccc1S(C)(=O)=O ZINC000125930156 823747200 /nfs/dbraw/zinc/74/72/00/823747200.db2.gz DLXZMYSNIJNMKI-KRWDZBQOSA-N 1 0 387.545 4.261 20 0 GIADRO O=C(C[N@@H+]1CCCC[C@@H]1c1ccccc1)NCC1(c2ccccc2)CCOCC1 ZINC000574494087 823747887 /nfs/dbraw/zinc/74/78/87/823747887.db2.gz VFNYAWHPFJTECU-HSZRJFAPSA-N 1 0 392.543 4.078 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@H]2CCCN2CC(F)(F)F)cc1 ZINC000461908564 823749265 /nfs/dbraw/zinc/74/92/65/823749265.db2.gz GHAVJNACJXJFGU-MAUKXSAKSA-N 1 0 383.458 4.026 20 0 GIADRO COc1cc(Oc2ccccc2)ccc1NC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000574502091 823749825 /nfs/dbraw/zinc/74/98/25/823749825.db2.gz KIIVGSDAGDDBLM-ROUUACIJSA-N 1 0 395.503 4.341 20 0 GIADRO C[C@H](C(=O)NCCCC[N@@H+]1CCCC[C@H]1C)c1cccc(Br)c1 ZINC000461915197 823752303 /nfs/dbraw/zinc/75/23/03/823752303.db2.gz DVXLVRQWCTXDFF-CVEARBPZSA-N 1 0 381.358 4.323 20 0 GIADRO Cc1cc(C)c(NC(=O)[C@@H](C)N2CC[NH+](CC3CCCCC3)CC2)c(Cl)c1 ZINC000064130125 823752754 /nfs/dbraw/zinc/75/27/54/823752754.db2.gz ABBLJHWHRDIWQM-GOSISDBHSA-N 1 0 391.987 4.482 20 0 GIADRO C[C@@H](c1ccc(OC(F)F)cc1)[NH+]1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000064139582 823753156 /nfs/dbraw/zinc/75/31/56/823753156.db2.gz JGCMYAJVBIGAPW-AWEZNQCLSA-N 1 0 387.430 4.329 20 0 GIADRO C[C@@H](c1cccc2ccccc21)[NH+]1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000064139952 823753575 /nfs/dbraw/zinc/75/35/75/823753575.db2.gz MCPDMYFBLGLTBF-SFHVURJKSA-N 1 0 394.540 4.344 20 0 GIADRO Cn1nccc1[C@H]1CCC[N@H+](Cc2nnc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC000064142718 823753941 /nfs/dbraw/zinc/75/39/41/823753941.db2.gz RHAFZBFRFKXAFE-LBPRGKRZSA-N 1 0 392.290 4.157 20 0 GIADRO Cn1nccc1[C@@H]1C[C@H](Nc2ccnc3cc(Br)ccc32)CCO1 ZINC000574519834 823754059 /nfs/dbraw/zinc/75/40/59/823754059.db2.gz QWBTVXXXXLGZFC-ACJLOTCBSA-N 1 0 387.281 4.063 20 0 GIADRO COc1cc2c(cc1F)[nH+]ccc2N1CCC2(CC1)OCCc1ccccc12 ZINC000413336920 823755024 /nfs/dbraw/zinc/75/50/24/823755024.db2.gz REFRMJWIZFZSOB-UHFFFAOYSA-N 1 0 378.447 4.451 20 0 GIADRO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H](C)C(C)(C)c2ccccc2)c(OC)c1 ZINC000163885750 823757044 /nfs/dbraw/zinc/75/70/44/823757044.db2.gz OYUDDCBEMORTME-DLBZAZTESA-N 1 0 384.520 4.377 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+]1CC(C)(C)[C@@H]2CCC[C@@H]21 ZINC000574536957 823758000 /nfs/dbraw/zinc/75/80/00/823758000.db2.gz XGCVMXPXQLWMQL-UXHICEINSA-N 1 0 380.536 4.328 20 0 GIADRO COc1cc(F)c(C(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1OC ZINC000163894574 823758087 /nfs/dbraw/zinc/75/80/87/823758087.db2.gz SAYHWICXFAJOPM-HNNXBMFYSA-N 1 0 386.467 4.327 20 0 GIADRO COc1cccc(CC[NH2+][C@@H](C)CC(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000125979857 823758299 /nfs/dbraw/zinc/75/82/99/823758299.db2.gz VHKFHHXXMSVCDY-AWEZNQCLSA-N 1 0 380.410 4.263 20 0 GIADRO O=C(Nc1cc(F)ccc1OCC1CC1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000191755728 823758347 /nfs/dbraw/zinc/75/83/47/823758347.db2.gz FRTLLOHALBBEHK-UHFFFAOYSA-N 1 0 375.488 4.097 20 0 GIADRO C[C@H](Oc1ccc(C(=O)NC2CC[NH+](CC3CC3)CC2)cc1)c1ccccc1 ZINC000191756343 823758384 /nfs/dbraw/zinc/75/83/84/823758384.db2.gz QYUAOJLUEBRWAE-SFHVURJKSA-N 1 0 378.516 4.431 20 0 GIADRO CCCN(CC[NH+](CC)CC)C(=O)Nc1c(SC)cnn1-c1ccccc1 ZINC000461924971 823758543 /nfs/dbraw/zinc/75/85/43/823758543.db2.gz ZXYWWZCIVNAKFS-UHFFFAOYSA-N 1 0 389.569 4.180 20 0 GIADRO Cc1ccc(-c2ncc(C[NH2+][C@@H]3CCN(Cc4ccc(F)cc4)C3=O)s2)cc1 ZINC000191761182 823759480 /nfs/dbraw/zinc/75/94/80/823759480.db2.gz HAQJXPNAPRBYTB-HXUWFJFHSA-N 1 0 395.503 4.148 20 0 GIADRO Cc1ccsc1CCCC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000163915525 823760436 /nfs/dbraw/zinc/76/04/36/823760436.db2.gz CZQWQQHVPCUCRE-UHFFFAOYSA-N 1 0 376.591 4.469 20 0 GIADRO CC[C@H](CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)CC(F)(F)F ZINC000413370053 823761482 /nfs/dbraw/zinc/76/14/82/823761482.db2.gz VKVLCAXTMFKZQU-RYRKJORJSA-N 1 0 385.474 4.317 20 0 GIADRO COc1ccc(-c2nc3c(s2)[C@@H]([NH2+]CCCNc2ncccn2)CCC3)cc1 ZINC000163940145 823763253 /nfs/dbraw/zinc/76/32/53/823763253.db2.gz ZRVFKRAKWNLXMK-KRWDZBQOSA-N 1 0 395.532 4.078 20 0 GIADRO C[C@H](C(=O)Nc1ccccc1NC(=O)Cc1cccs1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000413384985 823765183 /nfs/dbraw/zinc/76/51/83/823765183.db2.gz GDBSDVYQBHHVPY-OWCLPIDISA-N 1 0 385.533 4.129 20 0 GIADRO CCCC[NH+]1CCC(NC(=O)Nc2cc(Cl)ccc2O[C@H](C)COC)CC1 ZINC000191777954 823765360 /nfs/dbraw/zinc/76/53/60/823765360.db2.gz GFCBRYBDKGFACJ-OAHLLOKOSA-N 1 0 397.947 4.140 20 0 GIADRO O[C@@H](C[NH2+]Cc1nc2ccccc2n1C1CC1)Cc1ccc(C(F)(F)F)cc1 ZINC000574566978 823768910 /nfs/dbraw/zinc/76/89/10/823768910.db2.gz WKYULMBOIUUVHO-QGZVFWFLSA-N 1 0 389.421 4.083 20 0 GIADRO O=C(c1ccc(C[NH+]2CCC(CO)CC2)cc1)N1CCCC2(CCCCC2)C1 ZINC000164012783 823770375 /nfs/dbraw/zinc/77/03/75/823770375.db2.gz DZRPYBVGJIWXOC-UHFFFAOYSA-N 1 0 384.564 4.077 20 0 GIADRO COc1ccc2ccccc2c1-c1cc(CN2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)on1 ZINC000574581760 823771393 /nfs/dbraw/zinc/77/13/93/823771393.db2.gz QJUSHYZQDPLZTL-ZWKOTPCHSA-N 1 0 377.488 4.172 20 0 GIADRO C[NH+](C)CCCC1CCN(C(=O)N[C@@H](c2cccc(F)c2)c2ccccn2)CC1 ZINC000164036086 823771941 /nfs/dbraw/zinc/77/19/41/823771941.db2.gz GGVNAMFPEVVTFK-QFIPXVFZSA-N 1 0 398.526 4.074 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(NC(=O)C2CCCC2)c1)c1ccc2c(c1)OCCO2 ZINC000126040755 823772918 /nfs/dbraw/zinc/77/29/18/823772918.db2.gz NFPMWWBGCLOTBZ-INIZCTEOSA-N 1 0 380.488 4.437 20 0 GIADRO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)c1 ZINC000191806076 823775100 /nfs/dbraw/zinc/77/51/00/823775100.db2.gz NWLQJHYJIACZLN-NVXWUHKLSA-N 1 0 391.334 4.470 20 0 GIADRO Cc1ccc([C@H](CNC(=O)N(C)Cc2ccc(F)cc2F)[NH+]2CCCC2)cc1 ZINC000064237388 823778199 /nfs/dbraw/zinc/77/81/99/823778199.db2.gz IFZNZHSUAOAUIL-NRFANRHFSA-N 1 0 387.474 4.252 20 0 GIADRO COc1ccc(CN(C)C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1F ZINC000064237380 823778399 /nfs/dbraw/zinc/77/83/99/823778399.db2.gz XIFBJSUVUVCIFN-NRFANRHFSA-N 1 0 399.510 4.121 20 0 GIADRO CC[C@H](CNC(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000413446281 823779701 /nfs/dbraw/zinc/77/97/01/823779701.db2.gz YQCIRUAEGCWHFW-BQFCYCMXSA-N 1 0 385.474 4.175 20 0 GIADRO OC[C@@H](C[NH2+][C@H](c1cccc(F)c1)c1cccc(Br)c1)C1CC1 ZINC000574611056 823780821 /nfs/dbraw/zinc/78/08/21/823780821.db2.gz GHDNKEKWGVSRGQ-APWZRJJASA-N 1 0 378.285 4.286 20 0 GIADRO OC[C@H](C[NH2+][C@@H](c1cccc(F)c1)c1cccc(Br)c1)C1CC1 ZINC000574611067 823780868 /nfs/dbraw/zinc/78/08/68/823780868.db2.gz GHDNKEKWGVSRGQ-QFBILLFUSA-N 1 0 378.285 4.286 20 0 GIADRO CCCN(CC[NH+](CC)CC)C(=O)Nc1ccc(-c2nc(C(C)C)no2)cc1 ZINC000461988880 823784721 /nfs/dbraw/zinc/78/47/21/823784721.db2.gz UHDVISVGMYNQOT-UHFFFAOYSA-N 1 0 387.528 4.446 20 0 GIADRO COc1ccccc1[C@@H](CN[C@H](c1ncc[nH]1)c1ccccc1)[NH+]1CCCCC1 ZINC000126091515 823784776 /nfs/dbraw/zinc/78/47/76/823784776.db2.gz KZPGRUYDURWZHF-GGAORHGYSA-N 1 0 390.531 4.325 20 0 GIADRO O=C(CCc1ccccc1)N1CC[C@@H]([NH2+]C2CC(c3cc(F)cc(F)c3)C2)C1 ZINC000574627352 823784924 /nfs/dbraw/zinc/78/49/24/823784924.db2.gz RFSVZLZNUQQLDZ-NFOQDIRWSA-N 1 0 384.470 4.034 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1ccccc1Nc1ccc(OC(F)F)cc1)C1CC1 ZINC000064300009 823787876 /nfs/dbraw/zinc/78/78/76/823787876.db2.gz JORMSHDXFUBMLA-IBGZPJMESA-N 1 0 389.446 4.102 20 0 GIADRO CCC(CC)(Cc1nc2ccccc2s1)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000574639403 823787980 /nfs/dbraw/zinc/78/79/80/823787980.db2.gz AAXQQXYKPYILKL-ZWKOTPCHSA-N 1 0 399.604 4.493 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)COC(c2ccccc2)c2ccccc2)CC1 ZINC000064309916 823788844 /nfs/dbraw/zinc/78/88/44/823788844.db2.gz ZPKRILFSNDYNDT-UHFFFAOYSA-N 1 0 380.532 4.125 20 0 GIADRO COC(=O)c1c(C)c(C)sc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000064316915 823790181 /nfs/dbraw/zinc/79/01/81/823790181.db2.gz WFLVQUQKFVXYJR-QGZVFWFLSA-N 1 0 386.517 4.002 20 0 GIADRO O=C(N1CCc2sccc2C1)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000064317155 823790202 /nfs/dbraw/zinc/79/02/02/823790202.db2.gz XYGUISOXXMGJAH-IBGZPJMESA-N 1 0 394.462 4.087 20 0 GIADRO Cc1cccc(N2CC[NH+](CCC(=O)Nc3cccc4ccc(C)nc43)CC2)c1 ZINC000462003015 823791262 /nfs/dbraw/zinc/79/12/62/823791262.db2.gz BIZCLKYWWUQGOD-UHFFFAOYSA-N 1 0 388.515 4.002 20 0 GIADRO C[C@@H]1CCC[C@H]([NH+]2CCC(NCc3nccn3CCc3ccccc3)CC2)C1 ZINC000164278114 823792013 /nfs/dbraw/zinc/79/20/13/823792013.db2.gz PKOAPRYAKOHPKC-OFNKIYASSA-N 1 0 380.580 4.259 20 0 GIADRO Cc1cccc(NC(=O)C[C@H](C)[NH2+]Cc2nccn2CCc2ccccc2)c1C ZINC000164272446 823792200 /nfs/dbraw/zinc/79/22/00/823792200.db2.gz PLULKZDYCICSFA-IBGZPJMESA-N 1 0 390.531 4.250 20 0 GIADRO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000462006882 823792215 /nfs/dbraw/zinc/79/22/15/823792215.db2.gz YBRRSSXEWIEDLH-OAQYLSRUSA-N 1 0 391.559 4.026 20 0 GIADRO Cc1c2ccccc2oc1[C@H](C)NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000191838611 823792399 /nfs/dbraw/zinc/79/23/99/823792399.db2.gz ZXMUUFQVFYSNMF-ZWOKBUDYSA-N 1 0 381.520 4.461 20 0 GIADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CC ZINC000462007347 823792706 /nfs/dbraw/zinc/79/27/06/823792706.db2.gz FONWBKUYEZPMHJ-YLJYHZDGSA-N 1 0 385.556 4.023 20 0 GIADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCC[C@H]1c1nc2ccccc2n1CC ZINC000462007345 823792755 /nfs/dbraw/zinc/79/27/55/823792755.db2.gz FONWBKUYEZPMHJ-XLIONFOSSA-N 1 0 385.556 4.023 20 0 GIADRO CCOc1ccccc1Oc1ccccc1C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000164285338 823792829 /nfs/dbraw/zinc/79/28/29/823792829.db2.gz DQTRZQSVIRPAKL-ICSRJNTNSA-N 1 0 394.515 4.434 20 0 GIADRO C[C@@H]1CN(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)C[C@H](c2ccsc2)O1 ZINC000164289418 823793450 /nfs/dbraw/zinc/79/34/50/823793450.db2.gz FWSSPTGIJSTUPQ-JRGCBEDISA-N 1 0 399.560 4.057 20 0 GIADRO C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]Cc1nccn1CCCc1ccccc1 ZINC000164324325 823795957 /nfs/dbraw/zinc/79/59/57/823795957.db2.gz QYJNXWWIASTNEQ-SFHVURJKSA-N 1 0 394.494 4.162 20 0 GIADRO CC[C@H](NC(=O)CC[NH+]1CCN(c2ccccc2)CC1)c1cccc(Cl)c1 ZINC000462023099 823798070 /nfs/dbraw/zinc/79/80/70/823798070.db2.gz NYHRKTAIIGEARW-NRFANRHFSA-N 1 0 385.939 4.120 20 0 GIADRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000413573319 823798750 /nfs/dbraw/zinc/79/87/50/823798750.db2.gz CJNWGPXKNYGZRL-FCHUYYIVSA-N 1 0 399.579 4.060 20 0 GIADRO COc1ccccc1-c1nc(CN2CC[NH+](CCc3cccs3)CC2)cs1 ZINC000064351754 823798932 /nfs/dbraw/zinc/79/89/32/823798932.db2.gz UVPFKRRDEUCBDU-UHFFFAOYSA-N 1 0 399.585 4.241 20 0 GIADRO Cc1ccc(-c2nnc([C@@H](C)N3CC[NH+](CCc4cccs4)CC3)o2)cc1 ZINC000064352158 823799115 /nfs/dbraw/zinc/79/91/15/823799115.db2.gz BPZXTYNDMSJBQJ-QGZVFWFLSA-N 1 0 382.533 4.028 20 0 GIADRO C[C@H]([NH2+]C[C@]1(CO)C[C@@H]1c1ccccc1)c1ccc(Br)c(F)c1 ZINC000574680227 823799233 /nfs/dbraw/zinc/79/92/33/823799233.db2.gz ZBLDRKYPJUSNJQ-CRFBAAHOSA-N 1 0 378.285 4.405 20 0 GIADRO Cc1ccccc1[C@H](OC[C@H](O)C[NH2+]C[C@@H](C)c1nccs1)c1ccccc1 ZINC000574685983 823801557 /nfs/dbraw/zinc/80/15/57/823801557.db2.gz IFFRHIAWIRXBRQ-SYYKKAFVSA-N 1 0 396.556 4.312 20 0 GIADRO Cc1nc(-c2ccc(C(=O)Nc3cccc(C[NH+]4CCCCC4)c3)cc2)n[nH]1 ZINC000462028234 823801592 /nfs/dbraw/zinc/80/15/92/823801592.db2.gz PKEKVKWVUGZEPE-UHFFFAOYSA-N 1 0 375.476 4.018 20 0 GIADRO CCC[C@@H]1C[NH2+]CCN1Cc1csc(N(C(C)=O)c2cccc(Cl)c2)n1 ZINC000574692049 823801799 /nfs/dbraw/zinc/80/17/99/823801799.db2.gz FLYUKPPLGJECTI-GOSISDBHSA-N 1 0 392.956 4.055 20 0 GIADRO O=C(N[C@H]1CC[C@H](c2ccc(Cl)cc2)C1)NC1CC[NH+](C2CCC2)CC1 ZINC000413620542 823804380 /nfs/dbraw/zinc/80/43/80/823804380.db2.gz XJZCFEYQBIAPTD-LPHOPBHVSA-N 1 0 375.944 4.292 20 0 GIADRO Cc1cc2sc(NC(=O)N3CCCC[C@H]([NH+]4CCCC4)C3)nc2cc1F ZINC000574709099 823805115 /nfs/dbraw/zinc/80/51/15/823805115.db2.gz BCNRBDXJNAXGPO-AWEZNQCLSA-N 1 0 376.501 4.226 20 0 GIADRO C[N@H+](CCNC(=O)Nc1ccccc1CCC(F)(F)F)Cc1ccccc1 ZINC000126179488 823806567 /nfs/dbraw/zinc/80/65/67/823806567.db2.gz MULWJTGWFMKNSL-UHFFFAOYSA-N 1 0 379.426 4.435 20 0 GIADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)N[C@@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000462040236 823807556 /nfs/dbraw/zinc/80/75/56/823807556.db2.gz MBFBLECUHFLPOO-PZPSRYQVSA-N 1 0 384.351 4.426 20 0 GIADRO Cc1cccc(N2CC[NH+](CCC(=O)N[C@@H](C)c3cccc(Cl)c3)CC2)c1 ZINC000462042003 823808631 /nfs/dbraw/zinc/80/86/31/823808631.db2.gz SXZFNDKBGABWCJ-SFHVURJKSA-N 1 0 385.939 4.038 20 0 GIADRO COCc1nc2cc(NC(=O)C3(C)CC[NH+](Cc4ccccc4)CC3)ccc2o1 ZINC000164589395 823810413 /nfs/dbraw/zinc/81/04/13/823810413.db2.gz QDSATEZQZMZHAX-UHFFFAOYSA-N 1 0 393.487 4.215 20 0 GIADRO CC[C@H](NC(=O)N(Cc1ccncc1)C[C@@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000413651105 823810828 /nfs/dbraw/zinc/81/08/28/823810828.db2.gz FXHWLIGZQLHHJG-VXKWHMMOSA-N 1 0 380.536 4.229 20 0 GIADRO C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+]1CCC(N(C)c2ccccc2)CC1 ZINC000126202953 823811094 /nfs/dbraw/zinc/81/10/94/823811094.db2.gz AWJMLBZNEPWKQL-GHTZIAJQSA-N 1 0 397.588 4.401 20 0 GIADRO Cc1c2cc(Br)ccc2oc1C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000164605519 823811765 /nfs/dbraw/zinc/81/17/65/823811765.db2.gz COSFEHYTMUSKTE-BBRMVZONSA-N 1 0 391.309 4.060 20 0 GIADRO Cc1c2cccc(Cl)c2[nH]c1C(=O)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC000413656952 823812101 /nfs/dbraw/zinc/81/21/01/823812101.db2.gz NFTOUYMSKUAADD-UHFFFAOYSA-N 1 0 397.906 4.339 20 0 GIADRO Cc1ccc([C@H](C[NH2+][C@@H](C)c2ccc(Br)s2)N2CCOCC2)o1 ZINC000164625314 823813317 /nfs/dbraw/zinc/81/33/17/823813317.db2.gz BMVMJUAYKCHIEM-KBPBESRZSA-N 1 0 399.354 4.136 20 0 GIADRO C[C@H](CC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(F)c(Br)c1 ZINC000462055717 823814598 /nfs/dbraw/zinc/81/45/98/823814598.db2.gz QORGDNNIGNQUBZ-UKRRQHHQSA-N 1 0 397.332 4.215 20 0 GIADRO C[N@@H+]1CCC[C@H]2CN(Cn3cc(C(F)(F)F)cc(Cl)c3=S)CC[C@@H]21 ZINC000164654360 823814812 /nfs/dbraw/zinc/81/48/12/823814812.db2.gz DJWPHUDQKGXNPM-FZMZJTMJSA-N 1 0 379.879 4.263 20 0 GIADRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)NCc3cnccc3C(C)(C)C)C2)CC1 ZINC000413673482 823815073 /nfs/dbraw/zinc/81/50/73/823815073.db2.gz BRNCBXACIOTACG-IBGZPJMESA-N 1 0 386.584 4.033 20 0 GIADRO C[C@H](NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)c1cccc(OCc2ccccc2)c1 ZINC000574742155 823815852 /nfs/dbraw/zinc/81/58/52/823815852.db2.gz AJWRVKUQHGUEDV-CYFREDJKSA-N 1 0 393.531 4.112 20 0 GIADRO Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+]C[C@@H](O)COCc2ccccc2Cl)cc1 ZINC000574750606 823818103 /nfs/dbraw/zinc/81/81/03/823818103.db2.gz ZOHSQCZPUVIUJP-HJNYFJLDSA-N 1 0 389.923 4.036 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)NCc2cnccc2C(C)(C)C)CC1 ZINC000413692186 823818414 /nfs/dbraw/zinc/81/84/14/823818414.db2.gz JJHRZWNDUZBOSM-UHFFFAOYSA-N 1 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823825237 /nfs/dbraw/zinc/82/52/37/823825237.db2.gz AGTOBUVOOXEYCY-UHFFFAOYSA-N 1 0 383.330 4.057 20 0 GIADRO Cc1nc(-c2cccc(NC(=O)N3CC[NH+](C4CCCCC4)CC3)c2)oc1C ZINC000164960802 823826896 /nfs/dbraw/zinc/82/68/96/823826896.db2.gz XXFVABFPRALNLG-UHFFFAOYSA-N 1 0 382.508 4.441 20 0 GIADRO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CCC(=O)Nc1ccccc1 ZINC000164962261 823827166 /nfs/dbraw/zinc/82/71/66/823827166.db2.gz FDGRHCPVGAMUSZ-CQSZACIVSA-N 1 0 393.409 4.041 20 0 GIADRO Clc1ccc(OCCc2nc(CC34CCC[NH+]3CCC4)no2)cc1Cl ZINC000574792046 823827834 /nfs/dbraw/zinc/82/78/34/823827834.db2.gz ZEIYDVMSVFUJKC-UHFFFAOYSA-N 1 0 382.291 4.169 20 0 GIADRO C[N@H+](CCCNC(=O)[C@H]1C[C@H]1c1cccc(Br)c1)C1CCCCC1 ZINC000064487755 823829156 /nfs/dbraw/zinc/82/91/56/823829156.db2.gz SBASWMPPTZTLSW-OALUTQOASA-N 1 0 393.369 4.323 20 0 GIADRO CC(C)[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000462111323 823830673 /nfs/dbraw/zinc/83/06/73/823830673.db2.gz JBUDSKMYXODJMI-ICSRJNTNSA-N 1 0 378.944 4.220 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1ccc2ccc(Cl)cc2n1 ZINC000126289946 823831215 /nfs/dbraw/zinc/83/12/15/823831215.db2.gz OEJOPAOZLNEGLB-UHFFFAOYSA-N 1 0 394.906 4.272 20 0 GIADRO Fc1ccc([C@H]2OCC[C@@H]2[NH2+]C2CCN(CCc3ccccc3)CC2)cc1F ZINC000126295001 823832583 /nfs/dbraw/zinc/83/25/83/823832583.db2.gz DQKFINHQZKVRJP-XZOQPEGZSA-N 1 0 386.486 4.092 20 0 GIADRO CCCC[C@@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)NC)cc1)c1ccc(OC)cc1 ZINC000165063893 823832954 /nfs/dbraw/zinc/83/29/54/823832954.db2.gz RQTWNZARSJQCBG-IIBYNOLFSA-N 1 0 390.549 4.185 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc3c(C)nn(-c4ccccc4C)c3s2)C1 ZINC000165088631 823833654 /nfs/dbraw/zinc/83/36/54/823833654.db2.gz DWTMKEUQPXXAJR-QGZVFWFLSA-N 1 0 396.560 4.118 20 0 GIADRO C[C@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)c1ccccc1OC(F)(F)F ZINC000165093395 823833754 /nfs/dbraw/zinc/83/37/54/823833754.db2.gz GVBBOGJWPCMXKQ-AWEZNQCLSA-N 1 0 380.410 4.180 20 0 GIADRO C[C@@H](CNC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)CC(F)(F)F ZINC000413754879 823834706 /nfs/dbraw/zinc/83/47/06/823834706.db2.gz BHXFOIAMPXNOGM-QGZVFWFLSA-N 1 0 397.485 4.273 20 0 GIADRO COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH2+][C@H](C)c2ccc(OC(C)C)cc2)c1C ZINC000574828522 823835675 /nfs/dbraw/zinc/83/56/75/823835675.db2.gz YRRCFYLNSWCYIS-ZBFHGGJFSA-N 1 0 386.492 4.127 20 0 GIADRO O=C1Nc2ccccc2CC[C@H]1[NH+]1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000192016679 823835765 /nfs/dbraw/zinc/83/57/65/823835765.db2.gz WYCIDMDMAZKWIK-RTWAWAEBSA-N 1 0 384.907 4.039 20 0 GIADRO Brc1ccc(CN2CCC([NH2+]C3Cc4ccccc4C3)CC2)cc1 ZINC000462122780 823836604 /nfs/dbraw/zinc/83/66/04/823836604.db2.gz LVSDTJYPYVIHAX-UHFFFAOYSA-N 1 0 385.349 4.171 20 0 GIADRO Clc1ccc([C@@H]2OCC[C@@H]2[NH2+]CCCc2nc(-c3ccccc3)no2)cc1 ZINC000192026754 823836451 /nfs/dbraw/zinc/83/64/51/823836451.db2.gz XJGRKFNJBMMFRT-ICSRJNTNSA-N 1 0 383.879 4.442 20 0 GIADRO Cc1cc(Br)c(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)cc1Cl ZINC000574832918 823837002 /nfs/dbraw/zinc/83/70/02/823837002.db2.gz WJXAJVPGEUPQPV-WBMJQRKESA-N 1 0 385.733 4.110 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000126315722 823837939 /nfs/dbraw/zinc/83/79/39/823837939.db2.gz MVCQLYKHLNSNDV-LEWJYISDSA-N 1 0 383.923 4.214 20 0 GIADRO CC(C)OCc1cccc(NC(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000064533664 823838246 /nfs/dbraw/zinc/83/82/46/823838246.db2.gz BKLRQMBGBFKDBN-HDICACEKSA-N 1 0 375.557 4.490 20 0 GIADRO COc1cccc([C@@H](CNC(=O)Nc2cccc(COC(C)C)c2)[NH+](C)C)c1 ZINC000064544045 823840088 /nfs/dbraw/zinc/84/00/88/823840088.db2.gz HHICCVRRRGKUIB-OAQYLSRUSA-N 1 0 385.508 4.045 20 0 GIADRO CC(C)OCc1cccc(NC(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)c1 ZINC000064544163 823840276 /nfs/dbraw/zinc/84/02/76/823840276.db2.gz FVPHETYSKDKDEP-OAQYLSRUSA-N 1 0 375.557 4.490 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)Nc2cccc(-c3noc(C)n3)c2)cc1 ZINC000064545254 823841003 /nfs/dbraw/zinc/84/10/03/823841003.db2.gz OYTFDHMKVCPSCW-UHFFFAOYSA-N 1 0 393.491 4.209 20 0 GIADRO Cc1ccccc1CN(C)C(=O)[C@H](C)[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000192040508 823841160 /nfs/dbraw/zinc/84/11/60/823841160.db2.gz ROXJCWHYMMNWMS-ZLGUVYLKSA-N 1 0 386.923 4.115 20 0 GIADRO COC(=O)c1nc(NC(=O)c2cccc(C[NH+]3CCCCC3)c2)sc1C1CC1 ZINC000413792222 823841941 /nfs/dbraw/zinc/84/19/41/823841941.db2.gz ZSYDPHJZAKYBSS-UHFFFAOYSA-N 1 0 399.516 4.045 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)c1cccc(C2OCCO2)c1 ZINC000126332915 823842275 /nfs/dbraw/zinc/84/22/75/823842275.db2.gz HEHNGHWJNHRXRF-UHFFFAOYSA-N 1 0 394.515 4.038 20 0 GIADRO COc1ccc([C@H](CNC(=O)Nc2ccc3cnccc3c2)[NH+]2CCCC2)cc1 ZINC000574852206 823843496 /nfs/dbraw/zinc/84/34/96/823843496.db2.gz FWKYRAYNPWKOHY-QFIPXVFZSA-N 1 0 390.487 4.202 20 0 GIADRO C[C@H]([C@H]1CCC[N@@H+](C2CCC2)C1)N1C(=O)N[C@H](c2ccc3ccccc3c2)C1=O ZINC000574852739 823843767 /nfs/dbraw/zinc/84/37/67/823843767.db2.gz YXZPFMVPMMNRIZ-QGCDCVKKSA-N 1 0 391.515 4.086 20 0 GIADRO CC[NH+](CC)CC1CCN(C(=O)[C@@H](C)c2cccc(Br)c2)CC1 ZINC000462146414 823844293 /nfs/dbraw/zinc/84/42/93/823844293.db2.gz NJWZCLHLWPAIEZ-HNNXBMFYSA-N 1 0 381.358 4.133 20 0 GIADRO CCc1ccc([C@@H](CNC(=O)Nc2cc(OC)ccc2Cl)[NH+](C)C)cc1 ZINC000064560953 823844344 /nfs/dbraw/zinc/84/43/44/823844344.db2.gz JIPCLALITMWQRI-LJQANCHMSA-N 1 0 375.900 4.335 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1cccc(NC(C)=O)c1C ZINC000126348672 823845822 /nfs/dbraw/zinc/84/58/22/823845822.db2.gz VCFHUUUSYKOZEQ-UHFFFAOYSA-N 1 0 382.508 4.117 20 0 GIADRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)N2CCCc3c(F)cc(F)cc32)[C@H](C(F)(F)F)C1 ZINC000574860184 823846091 /nfs/dbraw/zinc/84/60/91/823846091.db2.gz ITWPOESHWFZGSL-ZIAGYGMSSA-N 1 0 390.396 4.153 20 0 GIADRO C[C@@H](N[C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1noc(Cc2ccccc2)n1 ZINC000165378767 823846443 /nfs/dbraw/zinc/84/64/43/823846443.db2.gz JHORGZWIXUXSLV-ZWKOTPCHSA-N 1 0 394.519 4.013 20 0 GIADRO C[C@H]([NH2+]C1CCN(Cc2ccc(F)cc2)CC1)c1cnn(Cc2ccccc2)c1 ZINC000165384872 823846581 /nfs/dbraw/zinc/84/65/81/823846581.db2.gz XRTUDDPIADOCTC-IBGZPJMESA-N 1 0 392.522 4.386 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@@H](C)c2noc(Cc3ccccc3)n2)C1 ZINC000165409515 823848133 /nfs/dbraw/zinc/84/81/33/823848133.db2.gz MRTAFKMXQQCUOB-UEXGIBASSA-N 1 0 376.504 4.147 20 0 GIADRO Cc1c(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cccc1-c1ccccn1 ZINC000462160503 823849161 /nfs/dbraw/zinc/84/91/61/823849161.db2.gz UYBOWMGCAZEVEL-MHECFPHRSA-N 1 0 385.511 4.307 20 0 GIADRO c1cn(Cc2cccc(C[NH2+][C@H]3CCN(Cc4ccccc4)C4(CC4)C3)c2)cn1 ZINC000574877791 823849216 /nfs/dbraw/zinc/84/92/16/823849216.db2.gz UQVDMDKAEFLLAM-DEOSSOPVSA-N 1 0 386.543 4.218 20 0 GIADRO C[C@@H]1CC[NH2+][C@@H](C(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)C1 ZINC000574879512 823850390 /nfs/dbraw/zinc/85/03/90/823850390.db2.gz CBSQLUHAILERNV-MLGOLLRUSA-N 1 0 377.941 4.044 20 0 GIADRO Cc1ccc(NC(=O)NC2CC[NH+](C3CCC3)CC2)c(OCC(F)(F)F)c1 ZINC000574886305 823851249 /nfs/dbraw/zinc/85/12/49/823851249.db2.gz GJNKVYJEPPOBQM-UHFFFAOYSA-N 1 0 385.430 4.075 20 0 GIADRO C[C@@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)c1ccc(C(F)(F)F)cc1 ZINC000462173084 823853399 /nfs/dbraw/zinc/85/33/99/823853399.db2.gz BJQOQXKDALEEST-CRAIPNDOSA-N 1 0 383.458 4.426 20 0 GIADRO CC(C)c1nn(C)c2sc(C(=O)N[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C)cc12 ZINC000462173035 823853577 /nfs/dbraw/zinc/85/35/77/823853577.db2.gz ZRTHDECOJIUAIC-QAPCUYQASA-N 1 0 396.560 4.009 20 0 GIADRO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000574892541 823853805 /nfs/dbraw/zinc/85/38/05/823853805.db2.gz ITKCIWNDIAKYME-WZONZLPQSA-N 1 0 394.515 4.270 20 0 GIADRO Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1ccccc1-c1ccc(Cn2ccnc2)cc1 ZINC000165581675 823854345 /nfs/dbraw/zinc/85/43/45/823854345.db2.gz QKZABIUZKBNNMT-DEOSSOPVSA-N 1 0 397.526 4.499 20 0 GIADRO CC(C)(Cc1ccccc1)c1noc([C@@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000574896529 823855068 /nfs/dbraw/zinc/85/50/68/823855068.db2.gz YKFADINROCNZSM-HXUWFJFHSA-N 1 0 376.504 4.365 20 0 GIADRO Cc1ccc([C@@H](C)NCc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)o1 ZINC000165599387 823855419 /nfs/dbraw/zinc/85/54/19/823855419.db2.gz YIGQVUKMZWCTGN-OAHLLOKOSA-N 1 0 381.442 4.209 20 0 GIADRO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC1(CCO)CCCCC1 ZINC000165623275 823855862 /nfs/dbraw/zinc/85/58/62/823855862.db2.gz PHZDNXDXYVRWHN-OAHLLOKOSA-N 1 0 386.458 4.345 20 0 GIADRO CN(C)c1nc2cc(NC(=O)N3CCC[C@H](C[NH+]4CCCCCC4)C3)ccc2o1 ZINC000165619231 823855871 /nfs/dbraw/zinc/85/58/71/823855871.db2.gz VQZNQLJIWDGXHO-QGZVFWFLSA-N 1 0 399.539 4.014 20 0 GIADRO O[C@H](C[N@@H+](Cc1ccccc1)C[C@H]1CCCO1)c1ccccc1C(F)(F)F ZINC000064641322 823856251 /nfs/dbraw/zinc/85/62/51/823856251.db2.gz KXUBAZOMUGGSMX-YLJYHZDGSA-N 1 0 379.422 4.420 20 0 GIADRO COc1ccc(C[N@H+](CC(=O)NCc2ccc(C)c(F)c2)[C@@H](C)C2CC2)cc1 ZINC000064641409 823856320 /nfs/dbraw/zinc/85/63/20/823856320.db2.gz OVBGFIDKELIWQD-KRWDZBQOSA-N 1 0 384.495 4.060 20 0 GIADRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)NCC1(c2ccccc2)CCC1 ZINC000064644473 823856595 /nfs/dbraw/zinc/85/65/95/823856595.db2.gz JMIOZVYCNVZIDT-IBGZPJMESA-N 1 0 397.588 4.381 20 0 GIADRO CC[C@H]([NH2+][C@@H]1CCc2ccccc21)c1ccccc1OCC(=O)N1CCCC1 ZINC000165647632 823857000 /nfs/dbraw/zinc/85/70/00/823857000.db2.gz YIZWVUWWSLSUBH-FCHUYYIVSA-N 1 0 378.516 4.416 20 0 GIADRO CSc1ccccc1NC(=O)CCN1CCC[N@H+](CC2CCCCC2)CC1 ZINC000165672908 823857736 /nfs/dbraw/zinc/85/77/36/823857736.db2.gz YGZGXXDZINSSSA-UHFFFAOYSA-N 1 0 389.609 4.325 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)CCCc1c[nH]c2ccccc12 ZINC000462182466 823858068 /nfs/dbraw/zinc/85/80/68/823858068.db2.gz OVBRSFJGFDNLRY-FDDCHVKYSA-N 1 0 375.516 4.127 20 0 GIADRO COc1ccccc1C[C@H](C)CC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000126403870 823858680 /nfs/dbraw/zinc/85/86/80/823858680.db2.gz UYHYOXQBEBZQRJ-IBGZPJMESA-N 1 0 395.547 4.034 20 0 GIADRO CC[C@@H]([NH2+][C@@H]1CCCc2cc(OC)ccc21)c1ccccc1OCC(=O)N(C)C ZINC000165702066 823859832 /nfs/dbraw/zinc/85/98/32/823859832.db2.gz AWCUFHXASQJSHK-FGZHOGPDSA-N 1 0 396.531 4.281 20 0 GIADRO CSc1nnc(CCC[NH2+][C@@H]2CCCc3nc(C)sc32)n1CC(C)C ZINC000165703005 823859976 /nfs/dbraw/zinc/85/99/76/823859976.db2.gz ISHYWNIQICXZHN-CQSZACIVSA-N 1 0 379.599 4.021 20 0 GIADRO COc1cc(F)c(C[NH2+]Cc2cccc(COCC(F)(F)F)c2)cc1OC ZINC000574921372 823860758 /nfs/dbraw/zinc/86/07/58/823860758.db2.gz XDOQNCSVAYYGHH-UHFFFAOYSA-N 1 0 387.373 4.212 20 0 GIADRO Clc1ccc(O[C@@H]2CC[N@H+](Cc3ccc(-n4ccnc4)nc3)C2)cc1Cl ZINC000126413770 823860900 /nfs/dbraw/zinc/86/09/00/823860900.db2.gz OFWPYBXEUUFKHT-MRXNPFEDSA-N 1 0 389.286 4.227 20 0 GIADRO Cc1nc(C(F)(F)F)sc1C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000462189493 823861497 /nfs/dbraw/zinc/86/14/97/823861497.db2.gz KFAMWIGDLXKHGV-HNNXBMFYSA-N 1 0 397.466 4.064 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C[C@H](c1ccccc1)C(F)(F)F ZINC000462190974 823862494 /nfs/dbraw/zinc/86/24/94/823862494.db2.gz RUIRGSAGCNPEJU-AHRSYUTCSA-N 1 0 390.449 4.359 20 0 GIADRO CSc1cc(C)ccc1NC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000413896801 823862421 /nfs/dbraw/zinc/86/24/21/823862421.db2.gz SWLJDAQUEQPXDI-UHFFFAOYSA-N 1 0 384.545 4.174 20 0 GIADRO Cc1ccc(Br)c(C(=O)Nc2ccc(OCC[NH+](C)C)cc2F)c1 ZINC000413898912 823862472 /nfs/dbraw/zinc/86/24/72/823862472.db2.gz HVDVTPVYFSPFDL-UHFFFAOYSA-N 1 0 395.272 4.089 20 0 GIADRO CCc1nc2ccc(Cl)cn2c1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000462191151 823862520 /nfs/dbraw/zinc/86/25/20/823862520.db2.gz USHVYVPNFKHXDQ-UHFFFAOYSA-N 1 0 388.943 4.077 20 0 GIADRO CCC(CC)[C@H]1C[C@H](NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000165837869 823863726 /nfs/dbraw/zinc/86/37/26/823863726.db2.gz FHTGHRGKOWEPBU-FGZHOGPDSA-N 1 0 386.580 4.389 20 0 GIADRO CCSCc1ccc(C(=O)Nc2ccc(OCC[NH+](C)C)cc2F)cc1 ZINC000413905816 823864009 /nfs/dbraw/zinc/86/40/09/823864009.db2.gz XPSFMJHTLDLPDF-UHFFFAOYSA-N 1 0 376.497 4.272 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)c(F)c1 ZINC000413906420 823864140 /nfs/dbraw/zinc/86/41/40/823864140.db2.gz YMZCDQXAUPNOHF-QWHCGFSZSA-N 1 0 376.394 4.073 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)C(=O)Nc1ccccc1Cl ZINC000192111907 823864284 /nfs/dbraw/zinc/86/42/84/823864284.db2.gz ZJRDDQBFFKTWAE-CNOZUTPLSA-N 1 0 380.822 4.065 20 0 GIADRO CCC(CC)[C@H]1C[C@@H](NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000165838092 823864362 /nfs/dbraw/zinc/86/43/62/823864362.db2.gz FHTGHRGKOWEPBU-FCHUYYIVSA-N 1 0 386.580 4.389 20 0 GIADRO CC[C@H](CNC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1)CC(F)(F)F ZINC000413909997 823864663 /nfs/dbraw/zinc/86/46/63/823864663.db2.gz NNJJVUQOAUSWFG-IKGGRYGDSA-N 1 0 377.495 4.261 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)CCc2ccc3ccccc3c2O)c(F)c1 ZINC000413915534 823865056 /nfs/dbraw/zinc/86/50/56/823865056.db2.gz NNCGOSVPBXLLHY-UHFFFAOYSA-N 1 0 396.462 4.196 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000064694944 823865978 /nfs/dbraw/zinc/86/59/78/823865978.db2.gz FJIHXQMVEMCDQM-CQSZACIVSA-N 1 0 393.940 4.444 20 0 GIADRO COc1cccc(C[NH2+][C@H]2CCc3c2cc(Br)cc3F)c1OC ZINC000165947587 823866462 /nfs/dbraw/zinc/86/64/62/823866462.db2.gz XTLXEODVQONGDQ-INIZCTEOSA-N 1 0 380.257 4.383 20 0 GIADRO COCC[N@H+](C)CC[C@H](N[C@H](C)c1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000165990371 823868046 /nfs/dbraw/zinc/86/80/46/823868046.db2.gz IPVINDPFKSKHOW-KNQAVFIVSA-N 1 0 398.547 4.208 20 0 GIADRO COC[C@]1(C[NH2+][C@@H]2CCCSc3ccc(OC)cc32)OCCc2ccccc21 ZINC000574946381 823868232 /nfs/dbraw/zinc/86/82/32/823868232.db2.gz FEUCGPSRBRWLAM-GGAORHGYSA-N 1 0 399.556 4.326 20 0 GIADRO Fc1ccc([C@@H]2OCC[C@H]2[NH2+]Cc2nc3ccccc3n2C(F)F)cc1F ZINC000192125615 823868308 /nfs/dbraw/zinc/86/83/08/823868308.db2.gz ZKBCGLWNDHSXIM-QAPCUYQASA-N 1 0 379.357 4.329 20 0 GIADRO CC[NH+](CC)Cc1cccc(NS(=O)(=O)c2cc(Cl)cc(COC)c2)c1 ZINC000574949059 823869392 /nfs/dbraw/zinc/86/93/92/823869392.db2.gz FKUIIAJIZGIIMZ-UHFFFAOYSA-N 1 0 396.940 4.129 20 0 GIADRO FC(F)(F)COc1ncccc1C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000166118320 823869904 /nfs/dbraw/zinc/86/99/04/823869904.db2.gz ZRXKITLCQQZZAV-YJBOKZPZSA-N 1 0 380.410 4.280 20 0 GIADRO Cc1noc(C)c1CCC[NH2+][C@@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000166128200 823870083 /nfs/dbraw/zinc/87/00/83/823870083.db2.gz XSERGHSSYOAVQJ-LBPRGKRZSA-N 1 0 383.414 4.250 20 0 GIADRO Cc1cccc([C@H](C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)N2CCOCC2)c1 ZINC000166143810 823870623 /nfs/dbraw/zinc/87/06/23/823870623.db2.gz JHHSLSQWGVMPOX-GPUOULLFSA-N 1 0 394.559 4.126 20 0 GIADRO O[C@@H](C[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1ccc(Cl)cc1Cl ZINC000192131222 823870890 /nfs/dbraw/zinc/87/08/90/823870890.db2.gz DBCKFMMOQJJWPM-SQNIBIBYSA-N 1 0 388.241 4.425 20 0 GIADRO CC(C)c1noc(-c2ccccc2C(=O)Nc2ccc(C[NH+](C)C)cc2F)n1 ZINC000413936768 823871271 /nfs/dbraw/zinc/87/12/71/823871271.db2.gz HOJYPESPIFMQOV-UHFFFAOYSA-N 1 0 382.439 4.313 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)[C@H](c1ccc(F)cc1)C(C)C ZINC000413938673 823871972 /nfs/dbraw/zinc/87/19/72/823871972.db2.gz MCGLRIGSYKTNTQ-NRFANRHFSA-N 1 0 388.483 4.153 20 0 GIADRO C[C@H](SCC(=O)Nc1ccc(C[NH+](C)C)cc1F)c1nc2ccccc2[nH]1 ZINC000413941425 823872540 /nfs/dbraw/zinc/87/25/40/823872540.db2.gz VAKAMRXKPSUAMU-ZDUSSCGKSA-N 1 0 386.496 4.197 20 0 GIADRO O=C1CCCN1Cc1ccc(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)cc1 ZINC000166248593 823873462 /nfs/dbraw/zinc/87/34/62/823873462.db2.gz UFWIQVQVTUVRRY-JTHBVZDNSA-N 1 0 378.516 4.067 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)C12CCC2 ZINC000166263854 823874044 /nfs/dbraw/zinc/87/40/44/823874044.db2.gz DLTHXFKCZOOHTA-ORYQWCPZSA-N 1 0 391.577 4.401 20 0 GIADRO Cc1[nH]c(=S)sc1CC(=O)Nc1ccc(C[NH+]2CCSCC2)cc1C ZINC000126462469 823874058 /nfs/dbraw/zinc/87/40/58/823874058.db2.gz HCQOLWLXZPULHO-UHFFFAOYSA-N 1 0 393.603 4.153 20 0 GIADRO C[C@H](Nc1ccc2ccccc2c1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000126462826 823874184 /nfs/dbraw/zinc/87/41/84/823874184.db2.gz SDZQQFQPZWTGTJ-IBGZPJMESA-N 1 0 387.527 4.421 20 0 GIADRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)CCOc1ccccc1F ZINC000126464501 823874622 /nfs/dbraw/zinc/87/46/22/823874622.db2.gz GKXXTNPXSMKORD-UHFFFAOYSA-N 1 0 388.508 4.091 20 0 GIADRO Cc1cc(C(=O)CCC(=O)N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c(C)s1 ZINC000064735176 823875403 /nfs/dbraw/zinc/87/54/03/823875403.db2.gz VHNRTSYCKOZXKD-RVKKMQEKSA-N 1 0 376.566 4.192 20 0 GIADRO Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc1)CCC2 ZINC000166357517 823876431 /nfs/dbraw/zinc/87/64/31/823876431.db2.gz YQSXHASHDNCDGF-KHCICDEESA-N 1 0 392.543 4.412 20 0 GIADRO Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000064738653 823876875 /nfs/dbraw/zinc/87/68/75/823876875.db2.gz LLHUJCYDBNGXAG-UHFFFAOYSA-N 1 0 388.943 4.027 20 0 GIADRO Cc1ccc(C(=O)c2ccccc2C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000064738815 823877064 /nfs/dbraw/zinc/87/70/64/823877064.db2.gz VIMIPVLEXCPGNJ-UHFFFAOYSA-N 1 0 392.543 4.418 20 0 GIADRO CC1(C(=O)NCCCNc2cccc(F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000166403795 823877639 /nfs/dbraw/zinc/87/76/39/823877639.db2.gz VZCBVZZTOPQROT-UHFFFAOYSA-N 1 0 383.511 4.046 20 0 GIADRO O[C@H](C[NH2+]Cc1ccc(OC(F)(F)F)cc1)COc1cccc2ccccc21 ZINC000574976705 823877854 /nfs/dbraw/zinc/87/78/54/823877854.db2.gz WIKUWQLSUQPEHL-QGZVFWFLSA-N 1 0 391.389 4.268 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)[C@H](C)CSc1ccccc1 ZINC000413962399 823878744 /nfs/dbraw/zinc/87/87/44/823878744.db2.gz SOJMVVLSZWDCNA-MRXNPFEDSA-N 1 0 388.533 4.003 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)C1(c2ccccc2)CCCC1 ZINC000413964288 823879370 /nfs/dbraw/zinc/87/93/70/823879370.db2.gz VKSMOJQQBRHNIV-UHFFFAOYSA-N 1 0 382.504 4.086 20 0 GIADRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1cc(F)c(F)c(F)c1F ZINC000126484432 823880274 /nfs/dbraw/zinc/88/02/74/823880274.db2.gz PHBCEOTZSPQPNG-UHFFFAOYSA-N 1 0 398.425 4.353 20 0 GIADRO O=C(c1ccccc1)N1CCC(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000166660734 823880697 /nfs/dbraw/zinc/88/06/97/823880697.db2.gz RQTJKQWMLYPYPR-QPPBQGQZSA-N 1 0 392.543 4.296 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H](C)c2cnn(-c3ccccn3)c2C)cc1 ZINC000166669146 823880777 /nfs/dbraw/zinc/88/07/77/823880777.db2.gz NVNNYOQCMKQJFD-DLBZAZTESA-N 1 0 386.503 4.482 20 0 GIADRO O=C(NC[C@H](Cc1ccccc1)C(F)(F)F)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000462225799 823881378 /nfs/dbraw/zinc/88/13/78/823881378.db2.gz OLBUDDUHVNAEHP-RBUKOAKNSA-N 1 0 397.485 4.068 20 0 GIADRO COc1ccc([C@H]([NH2+][C@H]2CCc3nc[nH]c3C2)C(C)C)c(Br)c1 ZINC000574995007 823882040 /nfs/dbraw/zinc/88/20/40/823882040.db2.gz SLUSAWIBGXJZOI-KPZWWZAWSA-N 1 0 378.314 4.025 20 0 GIADRO C[NH+](C)CCCC1CCN(C(=O)NC[C@@H](Cc2ccccc2)C(F)(F)F)CC1 ZINC000462227111 823882179 /nfs/dbraw/zinc/88/21/79/823882179.db2.gz SQGYULQFIYYFQT-LJQANCHMSA-N 1 0 399.501 4.171 20 0 GIADRO COc1cccc([C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c2cc(F)ccc2OC)c1 ZINC000166756895 823882511 /nfs/dbraw/zinc/88/25/11/823882511.db2.gz ZOWYQLCFQAFYLW-PWHSHALESA-N 1 0 384.495 4.149 20 0 GIADRO Cc1nc(-c2ccccc2)c(-c2nc([C@H]3C[N@@H+]4CCC[C@@]4(C)CO3)no2)s1 ZINC000574997280 823882621 /nfs/dbraw/zinc/88/26/21/823882621.db2.gz NJFVIUMOHQCRFK-QRWLVFNGSA-N 1 0 382.489 4.094 20 0 GIADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C)c2cccc(Br)c2)C1 ZINC000462228971 823883132 /nfs/dbraw/zinc/88/31/32/823883132.db2.gz CEEWLLLYMBIENT-CVEARBPZSA-N 1 0 381.358 4.037 20 0 GIADRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(NS(C)(=O)=O)cc2)c(OCC2CC2)c1 ZINC000166912571 823883933 /nfs/dbraw/zinc/88/39/33/823883933.db2.gz GDYZIGXHBDYPDE-INIZCTEOSA-N 1 0 388.533 4.006 20 0 GIADRO CCc1noc(CC)c1C[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000166991502 823884936 /nfs/dbraw/zinc/88/49/36/823884936.db2.gz AEIYEFQVUIWOKU-GFCCVEGCSA-N 1 0 394.313 4.069 20 0 GIADRO CCOCCC1(C[NH2+]Cc2c(C)nn(Cc3ccccc3Cl)c2C)CC1 ZINC000126508463 823887232 /nfs/dbraw/zinc/88/72/32/823887232.db2.gz IWKHBPRPGMYTJO-UHFFFAOYSA-N 1 0 375.944 4.498 20 0 GIADRO CC[N@@H+]1CC[C@H](NC(=O)Cc2sc(-c3ccccc3)nc2-c2cccs2)C1 ZINC000414004511 823887561 /nfs/dbraw/zinc/88/75/61/823887561.db2.gz JCBAMGPBFVFTCE-INIZCTEOSA-N 1 0 397.569 4.292 20 0 GIADRO C[C@@H]([NH2+]CCc1nnc2n1CCCCC2)c1ccc(OCc2ccccc2)cc1 ZINC000126510569 823887646 /nfs/dbraw/zinc/88/76/46/823887646.db2.gz CLDWJAVLAKKNJW-LJQANCHMSA-N 1 0 390.531 4.477 20 0 GIADRO CC(C)(C)OC(=O)c1ccc(C[NH+]2CCC(c3noc(C4CC4)n3)CC2)cc1 ZINC000462235594 823887879 /nfs/dbraw/zinc/88/78/79/823887879.db2.gz JMCFERVJNKRNCL-UHFFFAOYSA-N 1 0 383.492 4.282 20 0 GIADRO CCCc1c(C(=O)NC[C@H]([NH2+][C@H](C)CC)c2ccco2)cnn1C1CCCC1 ZINC000575016241 823888232 /nfs/dbraw/zinc/88/82/32/823888232.db2.gz JPUHAXTUSAJHGC-APWZRJJASA-N 1 0 386.540 4.403 20 0 GIADRO CC[C@@H]([NH2+]Cc1ccc(C)cc1OC[C@H]1CCOC1)c1ccc2c(c1)OCCO2 ZINC000167180148 823888285 /nfs/dbraw/zinc/88/82/85/823888285.db2.gz OIHDYYRRXYNNKA-GHTZIAJQSA-N 1 0 397.515 4.422 20 0 GIADRO CCC(CC)[N@H+](CCOC)Cc1nc(-c2cc(Br)cs2)no1 ZINC000064807008 823888385 /nfs/dbraw/zinc/88/83/85/823888385.db2.gz OBPBTUQGEFFIKX-UHFFFAOYSA-N 1 0 388.331 4.198 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(C)cc2OC[C@@H]2CCOC2)cc1OC ZINC000167212098 823888676 /nfs/dbraw/zinc/88/86/76/823888676.db2.gz HXGNGFVAFNWGSX-QZTJIDSGSA-N 1 0 385.504 4.278 20 0 GIADRO Cc1ccc(C[NH2+][C@H](C)c2ccc(F)cc2N(C)C)c(OC[C@@H]2CCOC2)c1 ZINC000167207941 823888926 /nfs/dbraw/zinc/88/89/26/823888926.db2.gz DACQQHNELLXYLY-QZTJIDSGSA-N 1 0 386.511 4.466 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)C[NH2+][C@@H](C)c2ccc(F)c3ccccc32)c1 ZINC000575020905 823889863 /nfs/dbraw/zinc/88/98/63/823889863.db2.gz HWLFIIGVFQDCAZ-AWEZNQCLSA-N 1 0 379.435 4.227 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1)c1ccnc(Cl)c1 ZINC000167389400 823891411 /nfs/dbraw/zinc/89/14/11/823891411.db2.gz SIXWGQJWWSMBIS-OAHLLOKOSA-N 1 0 395.894 4.303 20 0 GIADRO COc1ccc([C@H](C)[NH2+]Cc2cccc(NC(=O)NCc3ccncc3)c2)cc1 ZINC000167419021 823891470 /nfs/dbraw/zinc/89/14/70/823891470.db2.gz ZUKZVZIZFXIGRA-KRWDZBQOSA-N 1 0 390.487 4.263 20 0 GIADRO O=C(c1cc2sccc2[nH]1)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000192175094 823891691 /nfs/dbraw/zinc/89/16/91/823891691.db2.gz NIZASSWPQOSEON-XLIONFOSSA-N 1 0 379.529 4.356 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1)c1ccnc(Cl)c1 ZINC000167389294 823891670 /nfs/dbraw/zinc/89/16/70/823891670.db2.gz SIXWGQJWWSMBIS-HNNXBMFYSA-N 1 0 395.894 4.303 20 0 GIADRO C[C@@H](CC(=O)NC1CCC(C[NH+](C)C)CC1)c1ccc(F)c(Br)c1 ZINC000462242062 823892533 /nfs/dbraw/zinc/89/25/33/823892533.db2.gz DSWLUDJDQRSSTB-HLIUYOAVSA-N 1 0 399.348 4.318 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(c2c(F)cccc2F)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000167470218 823892697 /nfs/dbraw/zinc/89/26/97/823892697.db2.gz XFAVUWMIQQECJI-DZGCQCFKSA-N 1 0 385.458 4.124 20 0 GIADRO C[C@H]1C[C@@H](c2nc(Cc3c[nH]c4cccc(Br)c34)no2)CC[N@@H+]1C ZINC000575029381 823893124 /nfs/dbraw/zinc/89/31/24/823893124.db2.gz DGBJYZFCSHWHRU-RYUDHWBXSA-N 1 0 389.297 4.102 20 0 GIADRO COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(N2CCCC2)c1 ZINC000126548683 823895714 /nfs/dbraw/zinc/89/57/14/823895714.db2.gz VCDGXDNSBZZYNP-CEXWTWQISA-N 1 0 395.547 4.212 20 0 GIADRO COc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(N2CCCC2)c1 ZINC000126547974 823895881 /nfs/dbraw/zinc/89/58/81/823895881.db2.gz VCDGXDNSBZZYNP-FHWLQOOXSA-N 1 0 395.547 4.212 20 0 GIADRO COc1ccc(C[C@@H]([NH2+][C@H](C)c2cc3n(n2)CCC3)c2ccc(OC)cc2)cc1 ZINC000414054891 823896735 /nfs/dbraw/zinc/89/67/35/823896735.db2.gz BWZSDNYBQFQSNS-MZNJEOGPSA-N 1 0 391.515 4.481 20 0 GIADRO C[C@@H](NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000167862328 823896980 /nfs/dbraw/zinc/89/69/80/823896980.db2.gz ZQNIBQDWINICLE-CVEARBPZSA-N 1 0 392.540 4.009 20 0 GIADRO O=C1CCCN1CCC[NH2+][C@H](c1ccccc1)c1cccc(Br)c1 ZINC000414057195 823897460 /nfs/dbraw/zinc/89/74/60/823897460.db2.gz FPOSFTRXFSSANW-HXUWFJFHSA-N 1 0 387.321 4.141 20 0 GIADRO Cc1ccn(-c2ccccc2C[NH2+]C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)n1 ZINC000575040365 823897523 /nfs/dbraw/zinc/89/75/23/823897523.db2.gz VJBQCRAVCLAXIA-UWJYYQICSA-N 1 0 399.922 4.062 20 0 GIADRO Cc1ccc([C@H](OC[C@H](O)C[NH2+]C[C@@H](C)c2nccs2)c2ccccc2)cc1 ZINC000575040702 823897717 /nfs/dbraw/zinc/89/77/17/823897717.db2.gz GUKSONNMUCSLIL-STZQEDGTSA-N 1 0 396.556 4.312 20 0 GIADRO COC(=O)c1cnc([C@@H](C)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)s1 ZINC000414065019 823898953 /nfs/dbraw/zinc/89/89/53/823898953.db2.gz OCEWHRRFAKLXNE-HZPDHXFCSA-N 1 0 387.549 4.012 20 0 GIADRO CCCS(=O)(=O)N1CCC([NH2+][C@@H]2CCC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000414062035 823899083 /nfs/dbraw/zinc/89/90/83/823899083.db2.gz KVMHNPLISMWFOY-YLJYHZDGSA-N 1 0 399.000 4.160 20 0 GIADRO CCCS(=O)(=O)N1CCC([NH2+][C@@H]2CCC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000414065820 823899550 /nfs/dbraw/zinc/89/95/50/823899550.db2.gz OYYYDUYMDRDHLF-FXAWDEMLSA-N 1 0 399.000 4.160 20 0 GIADRO C[C@@H]([NH2+]CCCc1nnc2n1CCCCC2)c1csc(-c2ccccc2)n1 ZINC000414066640 823899594 /nfs/dbraw/zinc/89/95/94/823899594.db2.gz HGKWHVOELQHGJP-MRXNPFEDSA-N 1 0 381.549 4.411 20 0 GIADRO CS(=O)(=O)Cc1ccc(C[NH2+][C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000414065885 823899705 /nfs/dbraw/zinc/89/97/05/823899705.db2.gz HMKJCEWCMZXYIE-UYAOXDASSA-N 1 0 377.937 4.311 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)C1(c2ccc(F)cc2)CCCC1 ZINC000126565311 823900017 /nfs/dbraw/zinc/90/00/17/823900017.db2.gz NZLKSYFYPLFAGQ-UHFFFAOYSA-N 1 0 395.522 4.408 20 0 GIADRO CC(C)(C)O[C@H]1C[C@H]([NH2+]C2CCN(C(=O)c3ccccc3F)CC2)C1(C)C ZINC000414067270 823900314 /nfs/dbraw/zinc/90/03/14/823900314.db2.gz QGGUNVCMEGQLPC-OALUTQOASA-N 1 0 376.516 4.002 20 0 GIADRO C[C@@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)c1csc(-c2ccccc2)n1 ZINC000414070097 823900672 /nfs/dbraw/zinc/90/06/72/823900672.db2.gz SCGPEHRCNIPDDJ-OAHLLOKOSA-N 1 0 381.501 4.359 20 0 GIADRO C[C@@H](CN1CCCC1=O)[NH2+][C@H](c1ccccc1)c1cccc(Br)c1 ZINC000414069061 823900776 /nfs/dbraw/zinc/90/07/76/823900776.db2.gz KHHDYFCGQOOEPE-MGPUTAFESA-N 1 0 387.321 4.139 20 0 GIADRO C[C@H]([NH2+]Cc1ccnc(OC2CCC(C)CC2)c1)c1ccc(-n2cncn2)cc1 ZINC000168150151 823900771 /nfs/dbraw/zinc/90/07/71/823900771.db2.gz ZQFFHOXJUNCXES-DKTYTTGXSA-N 1 0 391.519 4.471 20 0 GIADRO Brc1cccc([C@H]([NH2+]CCn2cnnc2C2CC2)c2ccccc2)c1 ZINC000414071153 823901364 /nfs/dbraw/zinc/90/13/64/823901364.db2.gz CXMQPCANKWBWPX-LJQANCHMSA-N 1 0 397.320 4.297 20 0 GIADRO Cc1noc(C)c1[C@H](C)[NH2+][C@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000168232320 823901415 /nfs/dbraw/zinc/90/14/15/823901415.db2.gz DTMJKHBBQNEHRV-MNOVXSKESA-N 1 0 385.386 4.258 20 0 GIADRO Cc1ccc(-c2nc3c(s2)[C@@H]([NH2+]CC2(N(C)C)CCOCC2)CCC3)cc1 ZINC000168272962 823901892 /nfs/dbraw/zinc/90/18/92/823901892.db2.gz OVUQGCCDGSNUKF-SFHVURJKSA-N 1 0 385.577 4.196 20 0 GIADRO C[C@@H]([NH2+]C1CCN(c2cccs2)CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000168412877 823902506 /nfs/dbraw/zinc/90/25/06/823902506.db2.gz JCBCVIXYOVISOB-OAHLLOKOSA-N 1 0 384.549 4.352 20 0 GIADRO Cc1nccn1-c1ccc(C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCCC4)cn1 ZINC000126573268 823902648 /nfs/dbraw/zinc/90/26/48/823902648.db2.gz YKWSPHWZEVXPKO-JOCHJYFZSA-N 1 0 388.515 4.458 20 0 GIADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H](c2ccccc2F)C2CCCC2)c1 ZINC000168487163 823903082 /nfs/dbraw/zinc/90/30/82/823903082.db2.gz JAKGJSAPWUNWDF-YCRPNKLZSA-N 1 0 390.524 4.316 20 0 GIADRO Cc1nc(CSc2ccccc2C(=O)N2CC3CCC2(C[NH3+])CC3)cs1 ZINC000575067993 823903823 /nfs/dbraw/zinc/90/38/23/823903823.db2.gz NVOHZNZTYWQRHC-UHFFFAOYSA-N 1 0 387.574 4.087 20 0 GIADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](c2ccccc2)c2cccc(F)c2)cc1 ZINC000168561508 823903830 /nfs/dbraw/zinc/90/38/30/823903830.db2.gz MYIQFFBZXUGCNV-AOMKIAJQSA-N 1 0 398.503 4.174 20 0 GIADRO C[C@@H]([NH2+]CCc1nnc2n1CCCCC2)c1ccccc1OCc1ccccc1 ZINC000126579573 823904301 /nfs/dbraw/zinc/90/43/01/823904301.db2.gz QMCMHEAUIHXGMW-LJQANCHMSA-N 1 0 390.531 4.477 20 0 GIADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](c2ccccc2)c2cccc(F)c2)cc1 ZINC000168561688 823904546 /nfs/dbraw/zinc/90/45/46/823904546.db2.gz MYIQFFBZXUGCNV-KSFYIVLOSA-N 1 0 398.503 4.174 20 0 GIADRO Cc1nc(CN2CCC(C[NH2+][C@@H]3C[C@@H](OC(C)(C)C)C3(C)C)CC2)oc1C ZINC000414081962 823904747 /nfs/dbraw/zinc/90/47/47/823904747.db2.gz FHPGKWXASBPRLK-RTBURBONSA-N 1 0 377.573 4.075 20 0 GIADRO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccncc1C(F)(F)F ZINC000192213317 823904800 /nfs/dbraw/zinc/90/48/00/823904800.db2.gz GBDBMIPKORPIFI-ALOPSCKCSA-N 1 0 389.421 4.026 20 0 GIADRO C[C@H](C(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1)[C@H]1OCCc2sccc21 ZINC000575077952 823905612 /nfs/dbraw/zinc/90/56/12/823905612.db2.gz XBPQKFVDUXRYTP-NPPFBWRTSA-N 1 0 398.572 4.121 20 0 GIADRO Cc1nc2ccccc2n1Cc1cc(NC(=O)C[C@H]2CCC[NH2+]2)ccc1Cl ZINC000168673715 823905503 /nfs/dbraw/zinc/90/55/03/823905503.db2.gz OXZPRCAAVZAKGD-MRXNPFEDSA-N 1 0 382.895 4.127 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2ccncc2C(F)(F)F)CC1 ZINC000192217077 823906439 /nfs/dbraw/zinc/90/64/39/823906439.db2.gz JVFYPVIEWYUUCE-CQSZACIVSA-N 1 0 377.410 4.056 20 0 GIADRO CN(Cc1ccccc1)c1ccccc1NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000168984924 823907536 /nfs/dbraw/zinc/90/75/36/823907536.db2.gz KAYBEBILNJAXOS-UNMCSNQZSA-N 1 0 392.547 4.271 20 0 GIADRO COc1ccc(OCc2nc(C[NH2+][C@H](C)[C@H]3COc4ccccc43)cs2)cc1 ZINC000169133954 823908828 /nfs/dbraw/zinc/90/88/28/823908828.db2.gz YDZIKHFKZVLHHJ-FOIQADDNSA-N 1 0 396.512 4.385 20 0 GIADRO C[C@H]([NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1)[C@@H]1COc2ccccc21 ZINC000169179526 823909332 /nfs/dbraw/zinc/90/93/32/823909332.db2.gz WHHOLDLVCPYJLF-GUYCJALGSA-N 1 0 380.469 4.193 20 0 GIADRO CC(C)c1cc(C[NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)on1 ZINC000169209953 823909764 /nfs/dbraw/zinc/90/97/64/823909764.db2.gz DBQADOGZCCCUDB-LBPRGKRZSA-N 1 0 380.286 4.067 20 0 GIADRO O=S(=O)(Cc1ccccc1C[NH2+]Cc1cccc2ccccc21)N1CCCC1 ZINC000169213476 823909782 /nfs/dbraw/zinc/90/97/82/823909782.db2.gz PEGPVQWGZREKLF-UHFFFAOYSA-N 1 0 394.540 4.055 20 0 GIADRO CC(C)c1cc(C[NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)on1 ZINC000169210044 823909792 /nfs/dbraw/zinc/90/97/92/823909792.db2.gz DBQADOGZCCCUDB-GFCCVEGCSA-N 1 0 380.286 4.067 20 0 GIADRO CC(C)N1CC[C@@H]([NH2+][C@@H](C)c2cc3n(n2)CCC3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000414101153 823910204 /nfs/dbraw/zinc/91/02/04/823910204.db2.gz SSQHRJPGDXURTB-ZKYUUJBMSA-N 1 0 390.934 4.496 20 0 GIADRO COc1c(CNC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)oc2ccccc21 ZINC000575094459 823910518 /nfs/dbraw/zinc/91/05/18/823910518.db2.gz XIDLARLRNIVEMV-SFHVURJKSA-N 1 0 379.460 4.312 20 0 GIADRO c1cc(-c2ccccc2)oc1C[N@@H+](CCCN1CCOCC1)Cc1ccncc1 ZINC000575095726 823911306 /nfs/dbraw/zinc/91/13/06/823911306.db2.gz SCSZCCQUIFXDDS-UHFFFAOYSA-N 1 0 391.515 4.066 20 0 GIADRO CN(c1ccc(NC(=O)CCCOCc2ccccc2)cc1)C1CC[NH+](C)CC1 ZINC000064933553 823913767 /nfs/dbraw/zinc/91/37/67/823913767.db2.gz UVLRRANEZIEYIZ-UHFFFAOYSA-N 1 0 395.547 4.153 20 0 GIADRO C[C@H]([NH2+]C[C@H](c1ccc(Cl)cc1)N(C)CCC(F)(F)F)c1ccn(C)n1 ZINC000414121673 823914526 /nfs/dbraw/zinc/91/45/26/823914526.db2.gz ASJRNTODJUTQTI-SUMWQHHRSA-N 1 0 388.865 4.350 20 0 GIADRO C[C@H]([NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)c1cc2n(n1)CCC2 ZINC000414125939 823915008 /nfs/dbraw/zinc/91/50/08/823915008.db2.gz DPONBPOQVYXPHL-UBHSHLNASA-N 1 0 378.289 4.328 20 0 GIADRO CC(C)(C)C[C@H]([NH2+]C[C@H](CO)[C@@H]1CCOC1)c1ccc(Br)cc1 ZINC000414127238 823915389 /nfs/dbraw/zinc/91/53/89/823915389.db2.gz GBIKFURGWSJIRS-NUJGCVRESA-N 1 0 384.358 4.161 20 0 GIADRO CC[C@H]([NH2+]CCc1cn(C)cn1)c1ccc(Br)cc1C(F)(F)F ZINC000414131285 823916426 /nfs/dbraw/zinc/91/64/26/823916426.db2.gz YXMARLXGZCEVQF-HNNXBMFYSA-N 1 0 390.247 4.485 20 0 GIADRO Cc1cc(C[NH2+][C@H](C)c2cccc(N3CCOCC3)c2)ccc1Br ZINC000414141668 823917447 /nfs/dbraw/zinc/91/74/47/823917447.db2.gz JZVMPCZABNGCDJ-MRXNPFEDSA-N 1 0 389.337 4.445 20 0 GIADRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000575126825 823918360 /nfs/dbraw/zinc/91/83/60/823918360.db2.gz RUJREXWWGAAKLS-SNUQEOBHSA-N 1 0 393.409 4.009 20 0 GIADRO FC(F)(F)c1ccc(CN2CCC[N@H+](CCCc3ccncc3)CC2)cc1 ZINC000462311584 823920762 /nfs/dbraw/zinc/92/07/62/823920762.db2.gz IOGUTIRZOBIYJV-UHFFFAOYSA-N 1 0 377.454 4.241 20 0 GIADRO C[C@H](Cc1cccc(Cl)c1)C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000126657077 823920947 /nfs/dbraw/zinc/92/09/47/823920947.db2.gz WYZVFMREBKLNFR-QGZVFWFLSA-N 1 0 385.939 4.289 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCCN(C(=O)N2CCCC2)C1)c1csc(-c2ccccc2)n1 ZINC000414164427 823920998 /nfs/dbraw/zinc/92/09/98/823920998.db2.gz OGVCVHCXEBQVNC-FUHWJXTLSA-N 1 0 384.549 4.141 20 0 GIADRO CO[C@@H]([C@H](C)[NH2+][C@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F)C1CC1 ZINC000414163229 823921076 /nfs/dbraw/zinc/92/10/76/823921076.db2.gz FSFFEWOZBNJCRJ-WMFXKJRFSA-N 1 0 378.822 4.089 20 0 GIADRO Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000064974362 823921122 /nfs/dbraw/zinc/92/11/22/823921122.db2.gz JRRVQFBKFYPBME-UHFFFAOYSA-N 1 0 393.531 4.229 20 0 GIADRO CC(C)(C)C[C@@H]([NH2+]CCC1(O)CCOCC1)c1ccc(Br)cc1 ZINC000414170701 823922193 /nfs/dbraw/zinc/92/21/93/823922193.db2.gz WMTIAWMQVURRBA-QGZVFWFLSA-N 1 0 384.358 4.448 20 0 GIADRO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2nc(-c3ccc(C(C)C)cc3)no2)C1 ZINC000064995304 823922592 /nfs/dbraw/zinc/92/25/92/823922592.db2.gz PADAYHWBZRWYAP-XLIONFOSSA-N 1 0 398.551 4.377 20 0 GIADRO C[C@H](c1ccc(Br)cc1)N1CC[NH+](CCCc2ccncc2)CC1 ZINC000462319007 823923306 /nfs/dbraw/zinc/92/33/06/823923306.db2.gz GOPWOZUDYMHANP-QGZVFWFLSA-N 1 0 388.353 4.156 20 0 GIADRO COCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc2cc(OC)ccc2c1 ZINC000065013450 823924181 /nfs/dbraw/zinc/92/41/81/823924181.db2.gz XGTOKMPALQKNFU-UHFFFAOYSA-N 1 0 387.483 4.437 20 0 GIADRO COc1ccc([C@H](CO)C[NH2+][C@@H](C)c2ccc(OCC(F)(F)F)cc2)cc1 ZINC000414186263 823924400 /nfs/dbraw/zinc/92/44/00/823924400.db2.gz PMUTULQPUMLDKM-YOEHRIQHSA-N 1 0 383.410 4.063 20 0 GIADRO COc1ccc(CCC(=O)N2CCC[N@@H+]([C@H](C)c3ccc(F)cc3)CC2)cc1 ZINC000170646367 823924674 /nfs/dbraw/zinc/92/46/74/823924674.db2.gz IKEIJTBKRZWVQW-GOSISDBHSA-N 1 0 384.495 4.062 20 0 GIADRO Cc1ccc(Oc2ccccc2CC[NH2+][C@H](C)C2CCS(=O)(=O)CC2)cc1 ZINC000414195132 823925900 /nfs/dbraw/zinc/92/59/00/823925900.db2.gz NRTPHZPWDMHIFS-GOSISDBHSA-N 1 0 387.545 4.133 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Nc2ccc3c(c2)CCN3)C1 ZINC000575154310 823925850 /nfs/dbraw/zinc/92/58/50/823925850.db2.gz GFQNBVAQNYUHNR-KRWDZBQOSA-N 1 0 378.520 4.208 20 0 GIADRO CCc1cccnc1[C@H](C)[NH2+]C[C@@H](CO)Cc1cc(F)cc(Br)c1 ZINC000414198861 823926314 /nfs/dbraw/zinc/92/63/14/823926314.db2.gz WPXCLKWJLQKIHI-ZFWWWQNUSA-N 1 0 395.316 4.047 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@@H]2C[C@H]2c2c(F)cccc2Cl)ccc1S(C)(=O)=O ZINC000414198755 823926496 /nfs/dbraw/zinc/92/64/96/823926496.db2.gz ZXLQPPTZDQJFCL-NORZTCDRSA-N 1 0 397.899 4.098 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CCc1nnc2n1CCCCC2 ZINC000126683829 823926407 /nfs/dbraw/zinc/92/64/07/823926407.db2.gz LBMZQQBYHPRCTJ-OAHLLOKOSA-N 1 0 381.549 4.330 20 0 GIADRO OC[C@]1(Cc2ccc(F)cc2)CC[N@H+](Cc2ccccc2Br)C1 ZINC000575159284 823926624 /nfs/dbraw/zinc/92/66/24/823926624.db2.gz UXTWKIGRKYYBHR-IBGZPJMESA-N 1 0 378.285 4.015 20 0 GIADRO CC(C)(C)OC(=O)NC[C@@H]1CCN(Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000170648196 823926697 /nfs/dbraw/zinc/92/66/97/823926697.db2.gz RZJPZWAXQQAXNZ-AWEZNQCLSA-N 1 0 391.512 4.296 20 0 GIADRO C[C@@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000170648264 823926798 /nfs/dbraw/zinc/92/67/98/823926798.db2.gz HGKCOJSGUMOJBW-DLBZAZTESA-N 1 0 397.519 4.013 20 0 GIADRO COCC[C@@H](C)C[NH2+][C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C ZINC000414201907 823927590 /nfs/dbraw/zinc/92/75/90/823927590.db2.gz MOSHWWZQNGKSJQ-VGSWGCGISA-N 1 0 389.561 4.059 20 0 GIADRO COc1ccc([C@@H](CO)C[NH2+][C@@H](c2ccc(Br)s2)C2CC2)cc1 ZINC000414201182 823927643 /nfs/dbraw/zinc/92/76/43/823927643.db2.gz YFYJSBFBJPZNAV-RDTXWAMCSA-N 1 0 396.350 4.336 20 0 GIADRO CC[C@H](Sc1ccccc1)C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000126689355 823927828 /nfs/dbraw/zinc/92/78/28/823927828.db2.gz AEKSTDGYSFWXPD-NRFANRHFSA-N 1 0 383.561 4.327 20 0 GIADRO 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 823928447 /nfs/dbraw/zinc/92/84/47/823928447.db2.gz WPOKYKOIFBTZPP-SFKIGLBJSA-N 1 0 378.516 4.133 20 0 GIADRO Clc1ccc2c(ccn2CC[NH+]2CCC(c3nnc4n3CCCC4)CC2)c1 ZINC000575165670 823929180 /nfs/dbraw/zinc/92/91/80/823929180.db2.gz VLLHVPJUHQYXPQ-UHFFFAOYSA-N 1 0 383.927 4.102 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+]Cc2cc(Cl)cc(S(=O)(=O)CC)c2)cc1 ZINC000414210803 823929558 /nfs/dbraw/zinc/92/95/58/823929558.db2.gz NLTFXLYFYVNMHU-AWEZNQCLSA-N 1 0 381.925 4.383 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H]2CSCCc3ccccc32)c1 ZINC000414215006 823931018 /nfs/dbraw/zinc/93/10/18/823931018.db2.gz WQAPQYUYJAMVAO-IBGZPJMESA-N 1 0 395.977 4.254 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)c2ccc(F)cc2N(C)C)c1 ZINC000414216173 823931494 /nfs/dbraw/zinc/93/14/94/823931494.db2.gz YVCHMGFXDSAEQB-ZDUSSCGKSA-N 1 0 398.931 4.190 20 0 GIADRO CCc1ccc([C@H]([NH2+][C@H]2CS[C@H](C)C2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000414220634 823932801 /nfs/dbraw/zinc/93/28/01/823932801.db2.gz CGTOVLJDIFLPBD-VMRPVKRXSA-N 1 0 389.586 4.226 20 0 GIADRO COc1cc(-c2nc([C@H]([NH3+])CC(C)C)no2)cc(OC)c1OCc1ccccc1 ZINC000575180484 823933137 /nfs/dbraw/zinc/93/31/37/823933137.db2.gz YCNBBUUPNIYJMC-QGZVFWFLSA-N 1 0 397.475 4.379 20 0 GIADRO COc1ccc([C@H](Cc2ccccc2)NC(=O)N2CCC([NH2+]C(C)C)CC2)cc1 ZINC000462346062 823933392 /nfs/dbraw/zinc/93/33/92/823933392.db2.gz BSFBHCWLUOTPNH-QHCPKHFHSA-N 1 0 395.547 4.151 20 0 GIADRO C[NH+]1CCC(Nc2ccccc2NC(=O)[C@H]2COc3ccc(Cl)cc3C2)CC1 ZINC000170678460 823935287 /nfs/dbraw/zinc/93/52/87/823935287.db2.gz MSOLYTGRYBXREQ-MRXNPFEDSA-N 1 0 399.922 4.036 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@H]2CCc3cc(Br)ccc32)cn1 ZINC000414237972 823936427 /nfs/dbraw/zinc/93/64/27/823936427.db2.gz BQJDSQQNRLWEFG-ZOCIIQOWSA-N 1 0 390.325 4.020 20 0 GIADRO COc1ccc([C@H]2CCCC[C@@H]2[NH2+]Cc2ccccc2S(C)(=O)=O)cc1F ZINC000414238029 823936469 /nfs/dbraw/zinc/93/64/69/823936469.db2.gz LZLPHGPKPDFZPM-MJGOQNOKSA-N 1 0 391.508 4.054 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@H]2CCCOc3ccc(Cl)cc32)cn1 ZINC000414237584 823936545 /nfs/dbraw/zinc/93/65/45/823936545.db2.gz BLCZUXHIPVBEPL-ADLFWFRXSA-N 1 0 375.900 4.138 20 0 GIADRO O=C([C@@H]1C[C@H]1c1ccccc1OC(F)(F)F)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000126728443 823936978 /nfs/dbraw/zinc/93/69/78/823936978.db2.gz FPPJCVUEZFDBKM-RYQLBKOJSA-N 1 0 396.453 4.166 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@@H](C)c2ccc3cc(OC)ccc3c2)cn1 ZINC000414242342 823937817 /nfs/dbraw/zinc/93/78/17/823937817.db2.gz HPWHYYFOZXASCK-ITSWEJNFSA-N 1 0 379.504 4.493 20 0 GIADRO Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000170684889 823938687 /nfs/dbraw/zinc/93/86/87/823938687.db2.gz FVKFTRSYMZISRD-ZDUSSCGKSA-N 1 0 397.466 4.324 20 0 GIADRO CN(CCc1ccncc1)C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000170685459 823938733 /nfs/dbraw/zinc/93/87/33/823938733.db2.gz MAIJVDVGAGCQNU-UHFFFAOYSA-N 1 0 394.563 4.230 20 0 GIADRO O=C(CCCOCc1ccccc1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000065087251 823939351 /nfs/dbraw/zinc/93/93/51/823939351.db2.gz JGVUYKWFLTZVPO-UHFFFAOYSA-N 1 0 380.532 4.286 20 0 GIADRO CCCC[NH+]1CCC(NC(=O)Nc2c(C)cc(Br)cc2OC)CC1 ZINC000126747238 823940785 /nfs/dbraw/zinc/94/07/85/823940785.db2.gz KDDBMIFTEJSPQE-UHFFFAOYSA-N 1 0 398.345 4.152 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1=O)c1ccc(Cl)c2ccccc21 ZINC000462363102 823941707 /nfs/dbraw/zinc/94/17/07/823941707.db2.gz RZZORDGTHYSJFV-JLTOFOAXSA-N 1 0 382.895 4.073 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@H](C)c2ccc(OC)c3ccccc32)cn1 ZINC000414255050 823942988 /nfs/dbraw/zinc/94/29/88/823942988.db2.gz UXRKMYDQZIGVES-SAHWJRBASA-N 1 0 379.504 4.493 20 0 GIADRO CCCCOc1ccc(NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)c(C)c1 ZINC000065104841 823943045 /nfs/dbraw/zinc/94/30/45/823943045.db2.gz DNNUVJHSJVMIIJ-UHFFFAOYSA-N 1 0 395.547 4.174 20 0 GIADRO COc1ccc(C[NH2+]Cc2cn(-c3cccc(F)c3)nc2C)cc1OC(F)F ZINC000414258416 823943751 /nfs/dbraw/zinc/94/37/51/823943751.db2.gz GBMIGASIBJXXCF-UHFFFAOYSA-N 1 0 391.393 4.220 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@@H](C)c2oc3ccc(OC)cc3c2C)cn1 ZINC000414261216 823944672 /nfs/dbraw/zinc/94/46/72/823944672.db2.gz ZFWINLVBETYIEG-PONJGIIJSA-N 1 0 383.492 4.395 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@@H](c2ccccc2)c2ccc(OC)cc2)cn1 ZINC000414261212 823944843 /nfs/dbraw/zinc/94/48/43/823944843.db2.gz ZFWBXFINIUAGPB-NKKJXINNSA-N 1 0 391.515 4.368 20 0 GIADRO O[C@@H](C[NH2+]Cc1cc2cc(F)ccc2o1)COc1cccc(Cl)c1Cl ZINC000462370480 823945498 /nfs/dbraw/zinc/94/54/98/823945498.db2.gz SREWJDNSIMKLAV-ZDUSSCGKSA-N 1 0 384.234 4.408 20 0 GIADRO Cc1cc(C[NH2+][C@@H](C)CCc2ccc(Br)cc2)ccc1-n1cncn1 ZINC000462370449 823945571 /nfs/dbraw/zinc/94/55/71/823945571.db2.gz SPWKADHCIBBPAJ-INIZCTEOSA-N 1 0 399.336 4.449 20 0 GIADRO O[C@H](C[NH2+]Cc1cc2cc(F)ccc2o1)COc1cccc(Cl)c1Cl ZINC000462370472 823945624 /nfs/dbraw/zinc/94/56/24/823945624.db2.gz SREWJDNSIMKLAV-CYBMUJFWSA-N 1 0 384.234 4.408 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)c3ccc(-c4noc(C(F)F)n4)cc3)ccc21 ZINC000575224059 823945951 /nfs/dbraw/zinc/94/59/51/823945951.db2.gz RVLXWMLVZYJTJT-KRWDZBQOSA-N 1 0 398.413 4.475 20 0 GIADRO COc1ccc([C@H]2CCCC[C@@H]2[NH2+]Cc2nccc(C(F)(F)F)n2)cc1F ZINC000414270001 823947883 /nfs/dbraw/zinc/94/78/83/823947883.db2.gz YHJXXAIRRSBUEY-HIFRSBDPSA-N 1 0 383.389 4.459 20 0 GIADRO CCCOc1ccc(C[NH2+]Cc2cn(-c3cccc(F)c3)nc2C)cc1OC ZINC000414279169 823949841 /nfs/dbraw/zinc/94/98/41/823949841.db2.gz YOQBMXKJAOACMS-UHFFFAOYSA-N 1 0 383.467 4.407 20 0 GIADRO CC(C)c1c(NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)cnn1-c1ccccc1 ZINC000192335555 823950653 /nfs/dbraw/zinc/95/06/53/823950653.db2.gz IMMMDVDTULPSJK-SFHVURJKSA-N 1 0 397.548 4.482 20 0 GIADRO Cc1ccc(SCC(F)(F)F)c(NC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)c1 ZINC000575243685 823950780 /nfs/dbraw/zinc/95/07/80/823950780.db2.gz YYUUVTUZCDWFAA-AWEZNQCLSA-N 1 0 398.454 4.023 20 0 GIADRO Cc1c([C@@H](C)[NH2+][C@H]2CCN(C(=O)C3CCCC3)C2)cnn1-c1cc(C)ccc1C ZINC000126786912 823950795 /nfs/dbraw/zinc/95/07/95/823950795.db2.gz XPBNYEWPHLQDAN-NQIIRXRSSA-N 1 0 394.563 4.239 20 0 GIADRO Cc1ccc(C[NH2+]C[C@@H](c2ccc(Cl)cc2)N2CCc3sccc3C2)nn1 ZINC000414283803 823951531 /nfs/dbraw/zinc/95/15/31/823951531.db2.gz JRHUAANUOBPTRO-FQEVSTJZSA-N 1 0 398.963 4.389 20 0 GIADRO Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000414298225 823953697 /nfs/dbraw/zinc/95/36/97/823953697.db2.gz GVKWZIPDLCLOMC-INIZCTEOSA-N 1 0 392.478 4.297 20 0 GIADRO CC[NH+](CC)CCOc1ccc(C(=O)NCCc2c[nH]c3cc(F)ccc23)cc1 ZINC000065160578 823953953 /nfs/dbraw/zinc/95/39/53/823953953.db2.gz GSWNYWCZEPIJQL-UHFFFAOYSA-N 1 0 397.494 4.000 20 0 GIADRO NS(=O)(=O)c1ccc(C[NH2+][C@H](c2ccc(F)cc2)C2CCCC2)cc1Cl ZINC000414303888 823954110 /nfs/dbraw/zinc/95/41/10/823954110.db2.gz OEOIUYGZGCEZON-IBGZPJMESA-N 1 0 396.915 4.148 20 0 GIADRO COc1ccc([C@H](C)[NH2+]C[C@H](CO)c2ccc(F)cc2)cc1Br ZINC000414300510 823954202 /nfs/dbraw/zinc/95/42/02/823954202.db2.gz AVQVBXSWWXKGDQ-SWLSCSKDSA-N 1 0 382.273 4.024 20 0 GIADRO COc1ccc(Oc2ccc(CCNC(=O)C3CC[NH+](C(C)C)CC3)cc2)cc1 ZINC000126800302 823954458 /nfs/dbraw/zinc/95/44/58/823954458.db2.gz FSLOFFLGVGWDSI-UHFFFAOYSA-N 1 0 396.531 4.267 20 0 GIADRO COc1ccc([C@H](Cc2ccccc2C)[NH2+]Cc2ccc(C)nn2)cc1OC ZINC000414307734 823955158 /nfs/dbraw/zinc/95/51/58/823955158.db2.gz RYKAQMSXUDQMII-NRFANRHFSA-N 1 0 377.488 4.184 20 0 GIADRO CS(=O)(=O)c1ccc(C[NH2+]CCSCc2cccc3ccccc32)s1 ZINC000414312741 823956360 /nfs/dbraw/zinc/95/63/60/823956360.db2.gz JTSNXTZDIKFCLE-UHFFFAOYSA-N 1 0 391.583 4.328 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCCc2c(O)cccc21)C(=O)Nc1ccccc1C(F)(F)F ZINC000192352669 823956752 /nfs/dbraw/zinc/95/67/52/823956752.db2.gz UCZPUCIEDAJLCV-BLLLJJGKSA-N 1 0 378.394 4.405 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)c3ccccc3COC3CCOCC3)ccc21 ZINC000575332849 823957424 /nfs/dbraw/zinc/95/74/24/823957424.db2.gz NBBFVOQGLMLEGR-QHCPKHFHSA-N 1 0 394.515 4.183 20 0 GIADRO CC(C)([NH2+]CN1C(=O)NC2(CCCCC2)C1=O)c1ccc(Cl)c(Cl)c1 ZINC000065188271 823957767 /nfs/dbraw/zinc/95/77/67/823957767.db2.gz QXRNFWSENJAGLO-UHFFFAOYSA-N 1 0 384.307 4.030 20 0 GIADRO C[C@@H]([NH2+]Cc1cnc(N(C)C)n1C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000414321093 823957858 /nfs/dbraw/zinc/95/78/58/823957858.db2.gz DGQMIRADMHRSBN-MRXNPFEDSA-N 1 0 382.483 4.055 20 0 GIADRO Clc1ccc(OCc2nc(CN3CC[C@H]([NH+]4CCCC4)C3)cs2)cc1 ZINC000170741680 823958413 /nfs/dbraw/zinc/95/84/13/823958413.db2.gz URCAYYNJRXNJPS-KRWDZBQOSA-N 1 0 377.941 4.046 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000126818189 823958727 /nfs/dbraw/zinc/95/87/27/823958727.db2.gz IBPUIXXHEYMTJF-SFTDATJTSA-N 1 0 383.923 4.214 20 0 GIADRO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC(C)(C)c1cccnc1 ZINC000414329096 823959416 /nfs/dbraw/zinc/95/94/16/823959416.db2.gz HYJVINYUDXNXOG-AWEZNQCLSA-N 1 0 379.426 4.385 20 0 GIADRO C[N@@H+]1CCC[C@H]1CCSc1nnc(COc2ccccc2)n1Cc1ccco1 ZINC000126823419 823959571 /nfs/dbraw/zinc/95/95/71/823959571.db2.gz BHQRFRHLWVPVMO-KRWDZBQOSA-N 1 0 398.532 4.075 20 0 GIADRO COc1cccc([C@@H]2C[C@H]2C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)c1 ZINC000414334980 823960416 /nfs/dbraw/zinc/96/04/16/823960416.db2.gz GWWAPLKJPNRVFD-UWJYYQICSA-N 1 0 398.934 4.347 20 0 GIADRO COCC[C@H]1CCC[C@H]1[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000414351824 823963194 /nfs/dbraw/zinc/96/31/94/823963194.db2.gz OKSCQRQLZVNTQV-YLJYHZDGSA-N 1 0 395.385 4.208 20 0 GIADRO Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C1(c2cccc(F)c2)CCOCC1 ZINC000414356655 823963818 /nfs/dbraw/zinc/96/38/18/823963818.db2.gz FYJXKXCJKSWVKP-UHFFFAOYSA-N 1 0 383.442 4.254 20 0 GIADRO Cc1ccccc1[C@H](CC(C)C)[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000414355335 823964078 /nfs/dbraw/zinc/96/40/78/823964078.db2.gz WXWVEFDVXXHISW-SFHVURJKSA-N 1 0 380.941 4.173 20 0 GIADRO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CC([NH2+]C[C@@H]1CCO[C@H]1c1ccccc1)C2 ZINC000192374941 823964216 /nfs/dbraw/zinc/96/42/16/823964216.db2.gz RITCGUQDBAYSFA-QNXAMLQOSA-N 1 0 386.536 4.284 20 0 GIADRO Cc1ccc(-c2nc(CC(=O)N3CCC([NH2+]C4CCCC4)CC3)cs2)cc1 ZINC000126846581 823965360 /nfs/dbraw/zinc/96/53/60/823965360.db2.gz OMQAYPFAEXJEFO-UHFFFAOYSA-N 1 0 383.561 4.184 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)C1(c2cccc(F)c2)CCCC1 ZINC000126847956 823965499 /nfs/dbraw/zinc/96/54/99/823965499.db2.gz KINPAAZUDNVTQV-UHFFFAOYSA-N 1 0 395.522 4.408 20 0 GIADRO Cc1cc(CNc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)ccc1C(F)(F)F ZINC000414364497 823966372 /nfs/dbraw/zinc/96/63/72/823966372.db2.gz YQCLDDKGLSLKBH-LJQANCHMSA-N 1 0 391.437 4.076 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)NCc2csc(-c3ccco3)n2)cc1 ZINC000126851661 823966614 /nfs/dbraw/zinc/96/66/14/823966614.db2.gz YYEKXLPXCSZXGQ-UHFFFAOYSA-N 1 0 398.532 4.244 20 0 GIADRO CCOc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000414367650 823966809 /nfs/dbraw/zinc/96/68/09/823966809.db2.gz RZNOBLPBYIUVQD-QGZVFWFLSA-N 1 0 381.563 4.427 20 0 GIADRO CS(=O)(=O)c1ccc(C[N@H+](CCc2ccc(F)cc2)C2CCCC2)s1 ZINC000414368478 823966949 /nfs/dbraw/zinc/96/69/49/823966949.db2.gz GYWFKJDQIPFXPK-UHFFFAOYSA-N 1 0 381.538 4.278 20 0 GIADRO CC(C)(C)[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)c1cccc(F)c1 ZINC000414370666 823967358 /nfs/dbraw/zinc/96/73/58/823967358.db2.gz VPTKSVFIWHSQRX-QGZVFWFLSA-N 1 0 384.904 4.004 20 0 GIADRO Cc1occc1C[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000414373200 823967983 /nfs/dbraw/zinc/96/79/83/823967983.db2.gz LXQAALKHUPBXRU-UHFFFAOYSA-N 1 0 377.282 4.201 20 0 GIADRO CC(C)c1cnc(NC(=O)N2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)s1 ZINC000192390266 823968354 /nfs/dbraw/zinc/96/83/54/823968354.db2.gz HOOWISHZLVPVKL-HOTGVXAUSA-N 1 0 394.585 4.010 20 0 GIADRO CC(C)c1cc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nn1-c1ccccc1 ZINC000126860675 823968474 /nfs/dbraw/zinc/96/84/74/823968474.db2.gz MMBQILHNFNKXCB-PGRDOPGGSA-N 1 0 392.547 4.085 20 0 GIADRO c1ccc2cc(OCCC[N@@H+]3CCC[C@H](c4nnc5n4CCC5)C3)ccc2c1 ZINC000170776929 823968636 /nfs/dbraw/zinc/96/86/36/823968636.db2.gz KJFQWUXAVKGXCN-FQEVSTJZSA-N 1 0 376.504 4.026 20 0 GIADRO CC(C)c1cnc(NC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000192393116 823969063 /nfs/dbraw/zinc/96/90/63/823969063.db2.gz ZJSUFPHGYRUIHO-UHFFFAOYSA-N 1 0 387.553 4.432 20 0 GIADRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1cnc(-c2ccccn2)s1 ZINC000170781521 823970654 /nfs/dbraw/zinc/97/06/54/823970654.db2.gz FLSQIUKBKYJESB-UHFFFAOYSA-N 1 0 394.544 4.189 20 0 GIADRO Cc1ccc2cccc(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)c2n1 ZINC000126873552 823971224 /nfs/dbraw/zinc/97/12/24/823971224.db2.gz YBGYJTHIRPAJJE-FRIKZZABSA-N 1 0 385.511 4.469 20 0 GIADRO CCN(CC)c1ccc(C[NH2+][C@H](C)c2cc(Cl)c(OC)cc2OC)cn1 ZINC000126879737 823972599 /nfs/dbraw/zinc/97/25/99/823972599.db2.gz CFBATCVKRBMYNN-CQSZACIVSA-N 1 0 377.916 4.449 20 0 GIADRO C[C@H](CC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C)c1ccc(F)c(Br)c1 ZINC000462434876 823974391 /nfs/dbraw/zinc/97/43/91/823974391.db2.gz GBNZWWPXQZZAPT-FMKPAKJESA-N 1 0 397.332 4.167 20 0 GIADRO O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000126887536 823974542 /nfs/dbraw/zinc/97/45/42/823974542.db2.gz UZYRHYWTPMLCKN-UHFFFAOYSA-N 1 0 393.314 4.450 20 0 GIADRO C[N@H+](Cc1nc(-c2ccc3c(c2)OCO3)no1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000575505579 823974898 /nfs/dbraw/zinc/97/48/98/823974898.db2.gz UENMUYHZBWCDES-BETUJISGSA-N 1 0 383.370 4.018 20 0 GIADRO C[C@@H](NC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1)c1cc2ccccc2o1 ZINC000126907935 823978253 /nfs/dbraw/zinc/97/82/53/823978253.db2.gz ACGYQVMYKQQBHE-QGZVFWFLSA-N 1 0 392.499 4.128 20 0 GIADRO CN(C(=O)C[C@@H]1CCOc2ccccc21)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000126906670 823978308 /nfs/dbraw/zinc/97/83/08/823978308.db2.gz GRCXRLIUVVUJCE-IBGZPJMESA-N 1 0 394.515 4.080 20 0 GIADRO CCN(Cc1ccccc1)C(=O)C(=O)Nc1cccc2c1C[N@@H+]([C@H](C)C(C)C)C2 ZINC000170820013 823979438 /nfs/dbraw/zinc/97/94/38/823979438.db2.gz OFMFMGXSRMPDEK-GOSISDBHSA-N 1 0 393.531 4.034 20 0 GIADRO Cc1cc(NC(=O)N2CC[C@H](C)[C@@H](n3ccnc3)C2)cc(C)c1Br ZINC000192417803 823980494 /nfs/dbraw/zinc/98/04/94/823980494.db2.gz DXWAMTNNPSIFCL-LRDDRELGSA-N 1 0 391.313 4.377 20 0 GIADRO O=C(Nc1cccc2c1CCCC2)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000126920181 823980815 /nfs/dbraw/zinc/98/08/15/823980815.db2.gz XSQDCYJATCHGDX-UHFFFAOYSA-N 1 0 378.516 4.022 20 0 GIADRO Cc1ncc(CN(C)C(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)s1 ZINC000170825806 823981257 /nfs/dbraw/zinc/98/12/57/823981257.db2.gz MFQCVGBAWZYAPS-UHFFFAOYSA-N 1 0 386.565 4.025 20 0 GIADRO C[C@@H](O)[C@@](C)(C[NH2+][C@@H](C)c1ccc(Br)cn1)Cc1ccccc1 ZINC000575651492 823981907 /nfs/dbraw/zinc/98/19/07/823981907.db2.gz JKYUAJIRRXZCHR-QMTMVMCOSA-N 1 0 377.326 4.125 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cc(C)c(Br)c(C)c2)C1 ZINC000192420763 823983342 /nfs/dbraw/zinc/98/33/42/823983342.db2.gz GCHFTPXQPAPYGU-OAHLLOKOSA-N 1 0 382.346 4.262 20 0 GIADRO Cc1nc2ccccn2c(=O)c1CC[N@@H+]1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000575737544 823983490 /nfs/dbraw/zinc/98/34/90/823983490.db2.gz FMAWOEUSUQGGOH-INIZCTEOSA-N 1 0 399.897 4.045 20 0 GIADRO O=C([C@H]1C[C@@H]1c1ccccc1C(F)(F)F)N1CCC([NH2+]C2CCCC2)CC1 ZINC000126941282 823985905 /nfs/dbraw/zinc/98/59/05/823985905.db2.gz KJIDWLZNAJKONW-MSOLQXFVSA-N 1 0 380.454 4.332 20 0 GIADRO Cc1occc1C[NH2+]C1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000414459565 823989036 /nfs/dbraw/zinc/98/90/36/823989036.db2.gz ZZWUXXHPMVYTJD-UHFFFAOYSA-N 1 0 382.273 4.371 20 0 GIADRO Cc1ccccc1C1(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)CC1 ZINC000170849697 823989938 /nfs/dbraw/zinc/98/99/38/823989938.db2.gz VWYXRXQHOKBAJK-UHFFFAOYSA-N 1 0 395.522 4.335 20 0 GIADRO Cc1cc(C[N@H+]2C[C@H](c3cnn(C)c3)C3(C2)CCOCC3)ccc1C(F)(F)F ZINC000414466310 823990170 /nfs/dbraw/zinc/99/01/70/823990170.db2.gz GXOGAXZTRPCYEJ-LJQANCHMSA-N 1 0 393.453 4.144 20 0 GIADRO C[NH+](C)Cc1ccc(NS(=O)(=O)Cc2ccc(Cl)cc2Cl)c(F)c1 ZINC000414470573 823991176 /nfs/dbraw/zinc/99/11/76/823991176.db2.gz JDBDJMZLUGFAAI-UHFFFAOYSA-N 1 0 391.295 4.136 20 0 GIADRO C[NH+](C)Cc1ccc(NS(=O)(=O)Cc2c(Cl)cccc2Cl)c(F)c1 ZINC000414470900 823991203 /nfs/dbraw/zinc/99/12/03/823991203.db2.gz KAGLWENKFBCXPX-UHFFFAOYSA-N 1 0 391.295 4.136 20 0 GIADRO O=C(Nc1cccc(C[N@@H+]2CCCO[C@@H](CF)C2)c1)c1ccc(Cl)cc1 ZINC000414481807 823992408 /nfs/dbraw/zinc/99/24/08/823992408.db2.gz WPDGMQMAFZENJX-IBGZPJMESA-N 1 0 376.859 4.153 20 0 GIADRO Clc1c(Br)cccc1C[NH2+]Cc1ccccc1N1CCOCC1 ZINC000414481082 823992596 /nfs/dbraw/zinc/99/25/96/823992596.db2.gz LEPWKVSFKWPFJK-UHFFFAOYSA-N 1 0 395.728 4.229 20 0 GIADRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)CC[C@H](C)NC(=O)OC(C)(C)C ZINC000192435602 823992503 /nfs/dbraw/zinc/99/25/03/823992503.db2.gz NXUFTTPSGBNJAH-KRWDZBQOSA-N 1 0 389.540 4.223 20 0 GIADRO CCOc1ccccc1Oc1ccc(C[NH2+]C2CCC(C(=O)OC)CC2)cn1 ZINC000192439606 823993633 /nfs/dbraw/zinc/99/36/33/823993633.db2.gz HNZZLEMOEBJSOC-UHFFFAOYSA-N 1 0 384.476 4.094 20 0 GIADRO COc1cccc2c1CC[C@H]([NH2+]Cc1ccc(NC(=O)c3ccco3)cc1)C2 ZINC000192440551 823994134 /nfs/dbraw/zinc/99/41/34/823994134.db2.gz SGHKCKZSJKVSPA-IBGZPJMESA-N 1 0 376.456 4.188 20 0 GIADRO CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH2+][C@H]1CCO[C@]2(CCSC2)C1 ZINC000126984717 823994422 /nfs/dbraw/zinc/99/44/22/823994422.db2.gz BIWKGDXKAMCSMS-NZQKXSOJSA-N 1 0 399.604 4.373 20 0 GIADRO COc1ccc([C@@H]([NH2+][C@@H](C)C(=O)Nc2cccc3ncccc32)C2CC2)cc1 ZINC000170874206 823996481 /nfs/dbraw/zinc/99/64/81/823996481.db2.gz XIGBDGSRBLRQQU-NYHFZMIOSA-N 1 0 375.472 4.311 20 0 GIADRO Cc1ccccc1NC(=O)[C@H](C)[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000575789853 823996580 /nfs/dbraw/zinc/99/65/80/823996580.db2.gz FKXDSISUNGMQMX-PNHOKKKMSA-N 1 0 389.902 4.150 20 0 GIADRO COc1ccc(CC[NH2+]Cc2ccc(OC)c(OCc3cccnc3)c2)cc1F ZINC000170874381 823996706 /nfs/dbraw/zinc/99/67/06/823996706.db2.gz LMFJAUQHPCMSKA-UHFFFAOYSA-N 1 0 396.462 4.149 20 0 GIADRO c1ccc(C[N@H+]2CC[C@@H]3CN(Cc4cnc(-c5ccccc5)nc4)C[C@H]3C2)cc1 ZINC000575790626 823996967 /nfs/dbraw/zinc/99/69/67/823996967.db2.gz PZPFTZLQCZTKMR-DNQXCXABSA-N 1 0 384.527 4.098 20 0 GIADRO Cc1ccc(-c2ccc(C[NH2+][C@@H](C)c3cccc(NS(C)(=O)=O)c3)o2)cc1 ZINC000126995493 823997450 /nfs/dbraw/zinc/99/74/50/823997450.db2.gz QSOCFGYFBWFSNO-INIZCTEOSA-N 1 0 384.501 4.477 20 0 GIADRO COc1cccc(Sc2ccccc2C[NH2+]CCC(C)(C)S(C)(=O)=O)c1 ZINC000414512594 823998981 /nfs/dbraw/zinc/99/89/81/823998981.db2.gz CVEBXPVRGLEWHZ-UHFFFAOYSA-N 1 0 393.574 4.149 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCN(C(=O)C2CCCC2)C1)c1cc(Cl)ccc1OC(F)F ZINC000127004644 823999119 /nfs/dbraw/zinc/99/91/19/823999119.db2.gz GNKQYEAOFIBRRE-DOMZBBRYSA-N 1 0 386.870 4.383 20 0 GIADRO COc1cc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCOCC2)cc2ccccc21 ZINC000414522954 824001121 /nfs/dbraw/zinc/00/11/21/824001121.db2.gz CGVPXQVRPPCKRP-DEOSSOPVSA-N 1 0 391.511 4.468 20 0 GIADRO CC(C)Sc1ccccc1NC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000127025526 824002674 /nfs/dbraw/zinc/00/26/74/824002674.db2.gz SCJXWWXSOAGUKT-RBUKOAKNSA-N 1 0 391.581 4.077 20 0 GIADRO CCc1sc(C(=O)N[C@@H](C)CCC[NH+](CC)CC)cc1Br ZINC000575818752 824002869 /nfs/dbraw/zinc/00/28/69/824002869.db2.gz ZANSFLQSDGJGKW-LBPRGKRZSA-N 1 0 375.376 4.313 20 0 GIADRO CC[C@@H]([NH2+]Cc1ccc2c(c1)sc(=O)n2C)c1ccccc1OC(F)F ZINC000192469295 824003060 /nfs/dbraw/zinc/00/30/60/824003060.db2.gz MFGNVFHNYNJWSG-CQSZACIVSA-N 1 0 378.444 4.442 20 0 GIADRO Cc1ccccc1[C@H](OC[C@@H](O)C[NH2+][C@@H](C)c1ccccn1)c1ccccc1 ZINC000192474044 824004986 /nfs/dbraw/zinc/00/49/86/824004986.db2.gz SUJJUJCXNMIYTG-ZCVJKFOLSA-N 1 0 376.500 4.208 20 0 GIADRO CSc1ccccc1OC[C@H](O)C[N@H+](Cc1cnc2cc(C)ccn12)C(C)C ZINC000414539149 824005315 /nfs/dbraw/zinc/00/53/15/824005315.db2.gz AVUQPAYJRBZAFR-LJQANCHMSA-N 1 0 399.560 4.015 20 0 GIADRO CNC(=O)NC1CC[NH+](Cc2ccc(-c3cccc(Cl)c3Cl)o2)CC1 ZINC000414537849 824005335 /nfs/dbraw/zinc/00/53/35/824005335.db2.gz ABOSNGJEGIQCIP-UHFFFAOYSA-N 1 0 382.291 4.147 20 0 GIADRO Cc1oc(-c2ccsc2)nc1CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000575827978 824005646 /nfs/dbraw/zinc/00/56/46/824005646.db2.gz BRJWFPOAKAEWQC-BEFAXECRSA-N 1 0 395.528 4.033 20 0 GIADRO OCC1([C@H]([NH2+]Cc2cscc2Br)c2ccccc2)CCOCC1 ZINC000414539362 824005734 /nfs/dbraw/zinc/00/57/34/824005734.db2.gz NHMDSMMUFHVCPO-QGZVFWFLSA-N 1 0 396.350 4.131 20 0 GIADRO Cc1nn(-c2ccccn2)c(C)c1C[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000414540500 824005840 /nfs/dbraw/zinc/00/58/40/824005840.db2.gz BSSZFDPXVZUZBF-HSZRJFAPSA-N 1 0 388.515 4.238 20 0 GIADRO CC[C@H](NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)c1nc(C)cs1 ZINC000170923389 824005993 /nfs/dbraw/zinc/00/59/93/824005993.db2.gz LVEATOWFVZYBGJ-IBGZPJMESA-N 1 0 386.565 4.114 20 0 GIADRO OC[C@@H]([NH2+]Cc1ccc(-c2ccc(Br)cc2)s1)[C@@H]1CCCOC1 ZINC000414541341 824006526 /nfs/dbraw/zinc/00/65/26/824006526.db2.gz CNDKOTHDAJHFPN-RHSMWYFYSA-N 1 0 396.350 4.055 20 0 GIADRO CC(C)(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000414544073 824006778 /nfs/dbraw/zinc/00/67/78/824006778.db2.gz CWIUNCIJIXQGMU-FQEVSTJZSA-N 1 0 394.563 4.147 20 0 GIADRO CCS(=O)(=O)CCC[NH2+]Cc1ccc(-c2ccc(C(F)(F)F)cc2)s1 ZINC000414547646 824008319 /nfs/dbraw/zinc/00/83/19/824008319.db2.gz WGFFWEJGNYYURQ-UHFFFAOYSA-N 1 0 391.480 4.348 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(N3CCCc4ccccc43)cc2)C1 ZINC000127057670 824008404 /nfs/dbraw/zinc/00/84/04/824008404.db2.gz QHQRSPGVUFDZGI-LJQANCHMSA-N 1 0 377.532 4.185 20 0 GIADRO Cc1cc(C[N@@H+]2CCC[C@@H](N3CCCC3=O)CC2)ccc1Oc1cccnc1 ZINC000414556101 824011525 /nfs/dbraw/zinc/01/15/25/824011525.db2.gz VIDDOKXTOAROOA-HXUWFJFHSA-N 1 0 379.504 4.159 20 0 GIADRO OC[C@H]1C[N@H+](Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)CC[C@H]1O ZINC000414560297 824013053 /nfs/dbraw/zinc/01/30/53/824013053.db2.gz QMOWHUUIESEJBF-PXDATVDWSA-N 1 0 388.511 4.332 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000192503137 824013033 /nfs/dbraw/zinc/01/30/33/824013033.db2.gz SHRKRLFTJZKJON-HNNXBMFYSA-N 1 0 383.561 4.479 20 0 GIADRO Cn1c2ccc(C[NH2+]Cc3ccc(Oc4cccnc4)c(F)c3)cc2sc1=O ZINC000192504219 824013590 /nfs/dbraw/zinc/01/35/90/824013590.db2.gz PZKGRAVMEZVPJZ-UHFFFAOYSA-N 1 0 395.459 4.216 20 0 GIADRO C[C@@H](Cc1cn(C)c2ccc(F)cc12)[NH2+]Cc1nccn1Cc1ccccc1 ZINC000414565708 824014157 /nfs/dbraw/zinc/01/41/57/824014157.db2.gz GWVXTVCXBZVYEC-KRWDZBQOSA-N 1 0 376.479 4.283 20 0 GIADRO COc1cc(C[NH2+][C@@H](C)Cc2cn(C)c3ccc(F)cc23)cc(OC)c1OC ZINC000414570841 824014636 /nfs/dbraw/zinc/01/46/36/824014636.db2.gz STEHEYONUIETSR-AWEZNQCLSA-N 1 0 386.467 4.064 20 0 GIADRO OC[C@@H]1CCC[C@H]([NH2+]Cc2csc(-c3cccc(Br)c3)n2)C1 ZINC000414576084 824014770 /nfs/dbraw/zinc/01/47/70/824014770.db2.gz NUIAEXLFZUBWSM-DOMZBBRYSA-N 1 0 381.339 4.213 20 0 GIADRO CCN(CC)[C@@H](C[NH2+]Cc1cc2cnn(C(C)C)c2nc1Cl)c1ccco1 ZINC000127091838 824015279 /nfs/dbraw/zinc/01/52/79/824015279.db2.gz JFJXVKPQIUXSRD-KRWDZBQOSA-N 1 0 389.931 4.431 20 0 GIADRO OC[C@H]1CCC[C@H]([NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)C1 ZINC000414583221 824015790 /nfs/dbraw/zinc/01/57/90/824015790.db2.gz SAWPFTWYYCARAL-REWPJTCUSA-N 1 0 375.516 4.239 20 0 GIADRO CC[C@@H]1C[C@H](C[NH2+]C2CCN(Cc3cccc(Br)c3)CC2)CCO1 ZINC000414591877 824016783 /nfs/dbraw/zinc/01/67/83/824016783.db2.gz UASASRUOKSSMRI-OXQOHEQNSA-N 1 0 395.385 4.208 20 0 GIADRO O=C(C[NH2+][C@H](c1ccccc1)C1CC1)Nc1cc2c(cc1Cl)OCCCO2 ZINC000192513289 824016863 /nfs/dbraw/zinc/01/68/63/824016863.db2.gz AXSDZSCUADPRMY-OAQYLSRUSA-N 1 0 386.879 4.181 20 0 GIADRO COc1cc(C[N@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc(Cl)c1OC ZINC000127118858 824021138 /nfs/dbraw/zinc/02/11/38/824021138.db2.gz ZHBKSWSTNUYIIK-AWEZNQCLSA-N 1 0 386.883 4.131 20 0 GIADRO O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000414676938 824023158 /nfs/dbraw/zinc/02/31/58/824023158.db2.gz IHJQZBVVTWYBSX-HNNXBMFYSA-N 1 0 395.347 4.332 20 0 GIADRO C[NH2+]CC1CCN(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000414681028 824023225 /nfs/dbraw/zinc/02/32/25/824023225.db2.gz NYHPDETUXMDQAN-UHFFFAOYSA-N 1 0 383.336 4.188 20 0 GIADRO O=C(C[NH2+]C1(c2ccc(F)cc2)CCOCC1)Nc1cc(Cl)ccc1Cl ZINC000170971474 824023633 /nfs/dbraw/zinc/02/36/33/824023633.db2.gz QIXIBSDNSPNCRS-UHFFFAOYSA-N 1 0 397.277 4.367 20 0 GIADRO Cc1ccc(NC(=O)C[NH2+]C2(c3ccc(F)cc3)CCOCC2)c(Cl)c1 ZINC000170971708 824023662 /nfs/dbraw/zinc/02/36/62/824023662.db2.gz UPLWPNNLLOSJLQ-UHFFFAOYSA-N 1 0 376.859 4.022 20 0 GIADRO [NH3+][C@@H]1CN(C(=O)Nc2ccccc2N2CCCCC2)CC[C@H]1c1ccc(F)cc1 ZINC000414687481 824023614 /nfs/dbraw/zinc/02/36/14/824023614.db2.gz BVVVCVAVUJWXDR-VQTJNVASSA-N 1 0 396.510 4.165 20 0 GIADRO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@@H](CC(C)(C)C)c2ccc(F)cc2)cc1 ZINC000414691578 824024146 /nfs/dbraw/zinc/02/41/46/824024146.db2.gz JTKBNAQDLFUIRB-KUHUBIRLSA-N 1 0 385.483 4.078 20 0 GIADRO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414694112 824024151 /nfs/dbraw/zinc/02/41/51/824024151.db2.gz MNTQACRDVPGQDL-NEPJUHHUSA-N 1 0 375.822 4.212 20 0 GIADRO COc1ccc(C[NH+](Cc2ccc(OC)cc2)Cc2cccc(C(N)=O)c2)cc1 ZINC000127135206 824024238 /nfs/dbraw/zinc/02/42/38/824024238.db2.gz JDZHVPCKWRFANY-UHFFFAOYSA-N 1 0 390.483 4.005 20 0 GIADRO O=C(c1csc(-c2c(F)cccc2F)n1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000170973697 824024656 /nfs/dbraw/zinc/02/46/56/824024656.db2.gz IHBLVPWYXGVTDB-CQSZACIVSA-N 1 0 391.487 4.179 20 0 GIADRO C[C@H]([NH3+])C1CCN(C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)CC1 ZINC000414703015 824025106 /nfs/dbraw/zinc/02/51/06/824025106.db2.gz BTEWXVBXMIPRAB-VIFPVBQESA-N 1 0 394.235 4.059 20 0 GIADRO Cc1ccc(NC(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)c(Br)c1 ZINC000414707228 824025152 /nfs/dbraw/zinc/02/51/52/824025152.db2.gz YQUJWWQDRHZBTN-WMLDXEAASA-N 1 0 380.330 4.144 20 0 GIADRO Cc1ccc(NC(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)c(Br)c1 ZINC000414707226 824025214 /nfs/dbraw/zinc/02/52/14/824025214.db2.gz YQUJWWQDRHZBTN-PBHICJAKSA-N 1 0 380.330 4.144 20 0 GIADRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)N1CCC(OC2CCCCC2)CC1 ZINC000127142341 824025466 /nfs/dbraw/zinc/02/54/66/824025466.db2.gz GZTVVLWTYFDBQN-QHCPKHFHSA-N 1 0 399.579 4.347 20 0 GIADRO CCCOc1ccc(NC(=O)NCc2ccc3c(c2)C[NH2+]C3)cc1OCCC ZINC000414720764 824026660 /nfs/dbraw/zinc/02/66/60/824026660.db2.gz ZTOPUFKCTKCRRL-UHFFFAOYSA-N 1 0 383.492 4.189 20 0 GIADRO CCCOc1ccc(NC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)cc1OCCC ZINC000414719277 824026676 /nfs/dbraw/zinc/02/66/76/824026676.db2.gz UTZQHRAQMOTGRX-SFHVURJKSA-N 1 0 389.540 4.118 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000127150658 824027205 /nfs/dbraw/zinc/02/72/05/824027205.db2.gz VOGUNLNAOALPCG-ZBFHGGJFSA-N 1 0 380.916 4.147 20 0 GIADRO [NH3+][C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(Br)cc3)cc2)C1 ZINC000414722523 824027175 /nfs/dbraw/zinc/02/71/75/824027175.db2.gz GDJVGMSWUCMTFJ-CQSZACIVSA-N 1 0 390.281 4.196 20 0 GIADRO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)Nc1ccc2c(c1)CCO2 ZINC000575910788 824027506 /nfs/dbraw/zinc/02/75/06/824027506.db2.gz HEUHTWCQKQVCTF-IBGZPJMESA-N 1 0 379.504 4.045 20 0 GIADRO COc1ccc(Oc2ccc(Cl)cc2NC(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000414723195 824027460 /nfs/dbraw/zinc/02/74/60/824027460.db2.gz HQGREZISSVDEOC-ZIAGYGMSSA-N 1 0 389.883 4.342 20 0 GIADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)C1 ZINC000414723513 824027484 /nfs/dbraw/zinc/02/74/84/824027484.db2.gz CEVDVGMIXBFVLP-HOCLYGCPSA-N 1 0 380.517 4.088 20 0 GIADRO CCOc1ccc(Oc2ccccc2NC(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000414726511 824028405 /nfs/dbraw/zinc/02/84/05/824028405.db2.gz OEEGEYKUOAWWPS-IRXDYDNUSA-N 1 0 383.492 4.326 20 0 GIADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)Nc2ncc(Cc3ccccc3Cl)s2)C1 ZINC000414734309 824029961 /nfs/dbraw/zinc/02/99/61/824029961.db2.gz KQOBFKSQWBJTFE-GXTWGEPZSA-N 1 0 378.929 4.026 20 0 GIADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 ZINC000414737020 824030680 /nfs/dbraw/zinc/03/06/80/824030680.db2.gz NRGRDRPXCJHZPN-HZMBPMFUSA-N 1 0 399.347 4.160 20 0 GIADRO CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)N2CC[C@H](C[NH3+])C2)cc1 ZINC000414736741 824030811 /nfs/dbraw/zinc/03/08/11/824030811.db2.gz YQTCMPFRIWDIIL-CQSZACIVSA-N 1 0 389.883 4.344 20 0 GIADRO CCOc1ccc(Oc2ccc(NC(=O)N3CC[C@H](C)[C@H](C[NH3+])C3)cc2)cc1 ZINC000414738681 824031162 /nfs/dbraw/zinc/03/11/62/824031162.db2.gz YYSOAMLYCNSLAX-DLBZAZTESA-N 1 0 383.492 4.326 20 0 GIADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000414737893 824031178 /nfs/dbraw/zinc/03/11/78/824031178.db2.gz OOKMXUJVUQJWQV-LRDDRELGSA-N 1 0 378.929 4.121 20 0 GIADRO C[C@@H]1CN(C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)C[C@@]1(C)C[NH3+] ZINC000414741118 824031554 /nfs/dbraw/zinc/03/15/54/824031554.db2.gz HJAZSMRBMAFJBI-PIGZYNQJSA-N 1 0 398.454 4.278 20 0 GIADRO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H](c1cccs1)C(CC)CC ZINC000414741810 824031618 /nfs/dbraw/zinc/03/16/18/824031618.db2.gz HVXJJONGUYBWFU-IBGZPJMESA-N 1 0 387.549 4.090 20 0 GIADRO C[NH2+][C@H]1CCCN(C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)C1 ZINC000414742766 824031953 /nfs/dbraw/zinc/03/19/53/824031953.db2.gz IOBDTBQMRCQENH-ZDUSSCGKSA-N 1 0 384.427 4.045 20 0 GIADRO C[C@H]1CN(C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)CC[C@H]1[NH3+] ZINC000414744889 824032302 /nfs/dbraw/zinc/03/23/02/824032302.db2.gz WTPVLNGTNGJYTK-IINYFYTJSA-N 1 0 399.347 4.242 20 0 GIADRO CCN(CC)C(=O)c1cccc(NC(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)c1 ZINC000414750612 824032765 /nfs/dbraw/zinc/03/27/65/824032765.db2.gz MBEYJTGVEWGLLY-OAQYLSRUSA-N 1 0 396.535 4.114 20 0 GIADRO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N2CCC[C@H]2c2cccc3ccccc32)cc1 ZINC000414758905 824033774 /nfs/dbraw/zinc/03/37/74/824033774.db2.gz VPBAMCSJVREREW-ZHRRBRCNSA-N 1 0 387.483 4.162 20 0 GIADRO CCCN(C(=O)N[C@@H](C)c1cccnc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000171004449 824034335 /nfs/dbraw/zinc/03/43/35/824034335.db2.gz WBBAZDRCJQJGOH-UGKGYDQZSA-N 1 0 380.536 4.229 20 0 GIADRO Cc1cc2cc(CNC(=O)N3CCC[C@H](C[N@H+]4CCCC[C@H]4C)C3)ccc2[nH]1 ZINC000575946238 824034393 /nfs/dbraw/zinc/03/43/93/824034393.db2.gz LQWGTXFAKUJEKZ-UYAOXDASSA-N 1 0 382.552 4.272 20 0 GIADRO CCc1ccccc1[C@H]([NH3+])CNC(=O)Nc1ccc(NC(=O)CC(C)C)cc1 ZINC000414785459 824036117 /nfs/dbraw/zinc/03/61/17/824036117.db2.gz IWRHFKSPYORSOP-HXUWFJFHSA-N 1 0 382.508 4.055 20 0 GIADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)Nc1cc(Cl)ccc1OCC(F)(F)F ZINC000414786561 824036168 /nfs/dbraw/zinc/03/61/68/824036168.db2.gz KMFKAFKNLUWMQF-LBPRGKRZSA-N 1 0 381.826 4.118 20 0 GIADRO CC(C)C(=O)Nc1cccc(NC(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)c1 ZINC000414793283 824037001 /nfs/dbraw/zinc/03/70/01/824037001.db2.gz KCTWKOWHKDTINW-FQEVSTJZSA-N 1 0 382.508 4.226 20 0 GIADRO O=C([C@@H]1CC[N@@H+](Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)C1)N1CCCC1 ZINC000575956598 824037115 /nfs/dbraw/zinc/03/71/15/824037115.db2.gz ZOQPBWOFYJPTSU-MRXNPFEDSA-N 1 0 392.421 4.410 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCc2sccc2C1)c1ccc(Br)cc1 ZINC000192581334 824037523 /nfs/dbraw/zinc/03/75/23/824037523.db2.gz ZZIUGLMEIUDGOR-OLZOCXBDSA-N 1 0 393.350 4.135 20 0 GIADRO CCCC[C@H](CN)[NH2+][C@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414805170 824037739 /nfs/dbraw/zinc/03/77/39/824037739.db2.gz AEXVPDDYKJRYOR-DGCLKSJQSA-N 1 0 379.854 4.183 20 0 GIADRO CCC[NH+](CCC)CCCC(=O)N1CCC(O)(c2ccccc2Cl)CC1 ZINC000192587907 824038857 /nfs/dbraw/zinc/03/88/57/824038857.db2.gz RTTRFIWXKTXKAH-UHFFFAOYSA-N 1 0 380.960 4.052 20 0 GIADRO Cn1c2ccc(C[NH2+]C3(c4cccc(Br)c4)CC3)cc2sc1=O ZINC000192594270 824040507 /nfs/dbraw/zinc/04/05/07/824040507.db2.gz ZUUWAQHDJUXFMH-UHFFFAOYSA-N 1 0 389.318 4.141 20 0 GIADRO O=C(CC[NH2+][C@H](c1ccccc1)c1ccc(OC(F)F)cc1)N1CCCCC1 ZINC000192596686 824041475 /nfs/dbraw/zinc/04/14/75/824041475.db2.gz WRENMFNIXQHTEJ-OAQYLSRUSA-N 1 0 388.458 4.370 20 0 GIADRO C[C@H]1CN(C(=O)Nc2cc(C(C)(C)C)nn2-c2cccc(Cl)c2)CC[C@@H]1[NH3+] ZINC000414851234 824041587 /nfs/dbraw/zinc/04/15/87/824041587.db2.gz NXJIIEVBASBEAE-BBRMVZONSA-N 1 0 389.931 4.024 20 0 GIADRO COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](c2ccccc2)C2CC2)c1 ZINC000192598392 824041897 /nfs/dbraw/zinc/04/18/97/824041897.db2.gz SIASRMDWIJKRBM-WCJKSRRJSA-N 1 0 382.504 4.010 20 0 GIADRO O=C(CC[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)Nc1ccccc1Cl ZINC000192599451 824042306 /nfs/dbraw/zinc/04/23/06/824042306.db2.gz AUFPZCCGOLAMLI-INIZCTEOSA-N 1 0 385.895 4.019 20 0 GIADRO CC(C)C[C@H](CN)[NH2+][C@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414854236 824042524 /nfs/dbraw/zinc/04/25/24/824042524.db2.gz USPHTXAZSIQYJN-DGCLKSJQSA-N 1 0 379.854 4.039 20 0 GIADRO C[C@@H]([NH3+])c1ccc(CNC(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)cc1 ZINC000414855974 824042705 /nfs/dbraw/zinc/04/27/05/824042705.db2.gz XWHWYAUCTUSMBV-GFCCVEGCSA-N 1 0 380.414 4.113 20 0 GIADRO CN(C)c1ccc(NC(=O)N[C@@H](CCC[NH3+])c2ccccc2)c(C(F)(F)F)c1 ZINC000414855938 824042727 /nfs/dbraw/zinc/04/27/27/824042727.db2.gz XQSUMMYRLGZXRM-KRWDZBQOSA-N 1 0 394.441 4.373 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)Nc1ccccc1OC(F)F ZINC000192600820 824042792 /nfs/dbraw/zinc/04/27/92/824042792.db2.gz CRMLLMABCGKBOJ-UHFFFAOYSA-N 1 0 375.419 4.206 20 0 GIADRO CCCCN(C(=O)C(=O)Nc1ccc(C[NH2+]C)cc1)[C@H](CC)c1ccccc1 ZINC000414856648 824043164 /nfs/dbraw/zinc/04/31/64/824043164.db2.gz YVJNSBOAMUWYFQ-OAQYLSRUSA-N 1 0 381.520 4.125 20 0 GIADRO Cc1c(Cl)cccc1C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000192601477 824043290 /nfs/dbraw/zinc/04/32/90/824043290.db2.gz XJFMNMSJYYSKEW-SFHVURJKSA-N 1 0 399.922 4.067 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1cc(C(F)(F)F)ccn1)c1ccc(Cl)cc1 ZINC000575977330 824043381 /nfs/dbraw/zinc/04/33/81/824043381.db2.gz VLIOGIRQUOOBPO-CQSZACIVSA-N 1 0 386.805 4.178 20 0 GIADRO CCOc1cc(CNc2cccc(C[NH2+]C)c2)cc(Br)c1OC ZINC000414867432 824043475 /nfs/dbraw/zinc/04/34/75/824043475.db2.gz NRHOGTWDWGBEMX-UHFFFAOYSA-N 1 0 379.298 4.188 20 0 GIADRO CS(=O)(=O)Cc1ccccc1C[NH2+]CCCCc1cccc(C(F)(F)F)c1 ZINC000192605489 824043990 /nfs/dbraw/zinc/04/39/90/824043990.db2.gz RWWJGAHUNKSELX-UHFFFAOYSA-N 1 0 399.478 4.363 20 0 GIADRO C[NH2+]CCC1CCN(C(=O)Nc2cc(NC(=O)c3ccccc3)ccc2C)CC1 ZINC000414878846 824044266 /nfs/dbraw/zinc/04/42/66/824044266.db2.gz HKCNPXMQDXHWMP-UHFFFAOYSA-N 1 0 394.519 4.101 20 0 GIADRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000414883786 824044965 /nfs/dbraw/zinc/04/49/65/824044965.db2.gz DOSZLDZKWMCMEC-VQIMIIECSA-N 1 0 395.507 4.278 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)Cn1nc(-c2ccccc2)n(C)c1=S ZINC000171044896 824046423 /nfs/dbraw/zinc/04/64/23/824046423.db2.gz KINIHHMTVGODIQ-UHFFFAOYSA-N 1 0 395.576 4.159 20 0 GIADRO Cc1ccc(Br)cc1NC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000414910211 824049112 /nfs/dbraw/zinc/04/91/12/824049112.db2.gz SNBOOMKGHBQYCV-RHSMWYFYSA-N 1 0 380.330 4.144 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)Cc3noc4ccc(F)cc43)cc2)C1 ZINC000414921474 824050592 /nfs/dbraw/zinc/05/05/92/824050592.db2.gz BPPPRXDVHAEXKT-OAHLLOKOSA-N 1 0 381.451 4.380 20 0 GIADRO Cc1cc(Br)cn2c(C[NH2+][C@H]3CCCc4cc(N)ccc43)cnc12 ZINC000414922260 824050676 /nfs/dbraw/zinc/05/06/76/824050676.db2.gz FRVZLSZZMHRWNM-SFHVURJKSA-N 1 0 385.309 4.155 20 0 GIADRO CC(C)Oc1ccc([C@H](C[NH2+]Cc2cnc(-c3ccccn3)s2)N(C)C)cc1 ZINC000576019379 824050849 /nfs/dbraw/zinc/05/08/49/824050849.db2.gz BXSFVMLBTQXVQU-NRFANRHFSA-N 1 0 396.560 4.385 20 0 GIADRO C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H]1CCCc2cc(N)ccc21 ZINC000414924258 824051025 /nfs/dbraw/zinc/05/10/25/824051025.db2.gz INJVCAXUYFSJSZ-KSFYIVLOSA-N 1 0 391.515 4.091 20 0 GIADRO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@@H]1CCCc2cc(N)ccc21 ZINC000414937227 824051784 /nfs/dbraw/zinc/05/17/84/824051784.db2.gz VGZUVZLRCLBWTQ-QVKFZJNVSA-N 1 0 385.939 4.326 20 0 GIADRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N1CCC([NH+](C)C)CC1 ZINC000192634766 824051683 /nfs/dbraw/zinc/05/16/83/824051683.db2.gz HLWUSHQXXLWEIF-UHFFFAOYSA-N 1 0 395.507 4.197 20 0 GIADRO CCC(CC)(CN[C@H](c1nc[nH]n1)c1ccccc1)[NH2+][C@H](C)c1ccccc1 ZINC000576023558 824051904 /nfs/dbraw/zinc/05/19/04/824051904.db2.gz VJWGQXDQFVYQOL-NQIIRXRSSA-N 1 0 377.536 4.393 20 0 GIADRO Cn1cccc1[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(Br)cc1F ZINC000192636755 824052884 /nfs/dbraw/zinc/05/28/84/824052884.db2.gz YLSJIILDEYURMS-QGZVFWFLSA-N 1 0 394.288 4.092 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@@H]3CCCS3)n2Cc2ccccc2)C1 ZINC000576027404 824052941 /nfs/dbraw/zinc/05/29/41/824052941.db2.gz FPZKUYBIBPFFJD-UXHICEINSA-N 1 0 399.608 4.063 20 0 GIADRO Fc1cc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)ccc1OC(F)F ZINC000576028829 824053269 /nfs/dbraw/zinc/05/32/69/824053269.db2.gz XHGDVGMGBGMAHV-ZIFCJYIRSA-N 1 0 377.406 4.432 20 0 GIADRO Cc1nc(COc2ccc(C[NH2+]C[C@@H]3NCCc4ccccc43)cc2)cs1 ZINC000414951354 824053294 /nfs/dbraw/zinc/05/32/94/824053294.db2.gz GNGYIIJPPBEOSQ-QFIPXVFZSA-N 1 0 379.529 4.007 20 0 GIADRO CCc1ccccc1NC(=O)[C@H](C)[NH2+][C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000576031542 824053685 /nfs/dbraw/zinc/05/36/85/824053685.db2.gz BWFFRGMVKVCIDG-JHVJFLLYSA-N 1 0 385.939 4.264 20 0 GIADRO O=C(NC1CC[NH+](CCn2ccc3cc(Cl)ccc32)CC1)c1ccc(F)cc1 ZINC000576030397 824053864 /nfs/dbraw/zinc/05/38/64/824053864.db2.gz BQKGZXLCCMOZBX-UHFFFAOYSA-N 1 0 399.897 4.328 20 0 GIADRO CC[NH2+]CC1CCN(C(=O)Nc2cccnc2Oc2cccc(C)c2C)CC1 ZINC000414965530 824054818 /nfs/dbraw/zinc/05/48/18/824054818.db2.gz ZRAYNMQFWKYVGE-UHFFFAOYSA-N 1 0 382.508 4.344 20 0 GIADRO CCCN(C(=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1)C1CC[NH2+]CC1 ZINC000414964150 824054844 /nfs/dbraw/zinc/05/48/44/824054844.db2.gz YGDUDPKEAXMKHB-UHFFFAOYSA-N 1 0 398.482 4.074 20 0 GIADRO CC1(C)C[NH2+]CC[C@H]1NCc1csc(-c2cccc(Br)c2)n1 ZINC000414963856 824054852 /nfs/dbraw/zinc/05/48/52/824054852.db2.gz DEWCXIUVHJHAKY-OAHLLOKOSA-N 1 0 380.355 4.050 20 0 GIADRO CCOc1c(Br)cc(Cl)cc1NC(=O)CCCC[NH+](C)C ZINC000576036246 824055029 /nfs/dbraw/zinc/05/50/29/824055029.db2.gz CUBHUPAWMZXMQF-UHFFFAOYSA-N 1 0 377.710 4.172 20 0 GIADRO CCCC[C@H](C[NH3+])NC(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1 ZINC000414966242 824055144 /nfs/dbraw/zinc/05/51/44/824055144.db2.gz OIBZLTVRGRNDHM-MRXNPFEDSA-N 1 0 394.947 4.042 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)[NH2+]C2CCN(CCC(F)(F)F)CC2)cc1F ZINC000359993919 206276700 /nfs/dbraw/zinc/27/67/00/206276700.db2.gz ABUNZSFTUFHYCY-AWEZNQCLSA-N 1 0 398.448 4.387 20 0 GIADRO C[N@H+](Cc1ccccc1NCC(=O)NCCc1ccc(F)cc1)C1CCCCC1 ZINC000021892199 207241750 /nfs/dbraw/zinc/24/17/50/207241750.db2.gz CGMNGYUFESAYAC-UHFFFAOYSA-N 1 0 397.538 4.361 20 0 GIADRO Cc1ccc(-c2cnc(CCC(=O)NCC(C)(C)[N@@H+]3CCC[C@H](C)C3)o2)cc1 ZINC000053403945 222009729 /nfs/dbraw/zinc/00/97/29/222009729.db2.gz DRNRYMGKVXRISN-SFHVURJKSA-N 1 0 383.536 4.209 20 0 GIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3c4ccccc4NC(=O)[C@H]3C2)nc1 ZINC001164400896 718859186 /nfs/dbraw/zinc/85/91/86/718859186.db2.gz AQTKMXMYIPXOGC-JAXLGGSGSA-N 1 0 390.531 4.191 20 0 GIADRO FC(F)(c1cnc(Cl)c(C2CCCCC2)c1)N1CCO[C@H]2C[NH2+]CC[C@H]2C1 ZINC001164408911 718865859 /nfs/dbraw/zinc/86/58/59/718865859.db2.gz NXPGNDAMIJPAMI-YJBOKZPZSA-N 1 0 399.913 4.142 20 0 GIADRO Cc1cc(Cl)ncc1C(F)(F)N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001164413794 718880491 /nfs/dbraw/zinc/88/04/91/718880491.db2.gz NHCYGVYZHXUDSP-GFCCVEGCSA-N 1 0 383.792 4.242 20 0 GIADRO Fc1ccc(Cl)nc1C(F)(F)N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001164413812 718880554 /nfs/dbraw/zinc/88/05/54/718880554.db2.gz NUQCVEIQLJMIAF-JTQLQIEISA-N 1 0 387.755 4.072 20 0 GIADRO FC(F)(c1cnc(Cl)c(C2CC2)c1)N1C[C@@H]2[NH2+]Cc3ccccc3[C@H]2C1 ZINC001164431009 718948561 /nfs/dbraw/zinc/94/85/61/718948561.db2.gz YVDZKWKKMGDKAJ-MSOLQXFVSA-N 1 0 375.850 4.233 20 0 GIADRO CC(C)c1ccc(-c2cc(C(F)(F)N3CCC[C@H]4[NH2+]C[C@H]43)c(Cl)nn2)cc1 ZINC001164449868 719002981 /nfs/dbraw/zinc/00/29/81/719002981.db2.gz PNQXLGBIWJZRSS-SJLPKXTDSA-N 1 0 392.881 4.406 20 0 GIADRO FC(F)(c1ccc(-c2ccnc(Cl)c2)cc1)N1CCC(C2C[NH2+]C2)CC1 ZINC001164614351 719036355 /nfs/dbraw/zinc/03/63/55/719036355.db2.gz ASLGLUBPMXILAP-UHFFFAOYSA-N 1 0 377.866 4.383 20 0 GIADRO FC(F)(c1cnc(Cl)c(-c2cccs2)c1)N1CCC(C2C[NH2+]C2)CC1 ZINC001164615847 719038297 /nfs/dbraw/zinc/03/82/97/719038297.db2.gz QNEQLFUTIBHEOY-UHFFFAOYSA-N 1 0 383.895 4.444 20 0 GIADRO FC(F)(Sc1ccc(Cl)nc1)N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164619241 719049041 /nfs/dbraw/zinc/04/90/41/719049041.db2.gz CFXWDBYRSNTUQJ-AEFFLSMTSA-N 1 0 395.906 4.457 20 0 GIADRO Cc1c[nH]c2nc(Cl)nc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)c12 ZINC001164625929 719069998 /nfs/dbraw/zinc/06/99/98/719069998.db2.gz NTGHREHBQDFJMK-IAGOWNOFSA-N 1 0 381.911 4.021 20 0 GIADRO Clc1cccc2nc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)ncc12 ZINC001164628523 719082973 /nfs/dbraw/zinc/08/29/73/719082973.db2.gz SFAUJNAWCALXER-UTKZUKDTSA-N 1 0 378.907 4.384 20 0 GIADRO Clc1ccc2cnc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)nc2c1 ZINC001164623622 719083674 /nfs/dbraw/zinc/08/36/74/719083674.db2.gz JZQVZYPYZBRDTA-NQIIRXRSSA-N 1 0 378.907 4.384 20 0 GIADRO CCOC(=O)c1nc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)ccc1Cl ZINC001164622450 719091333 /nfs/dbraw/zinc/09/13/33/719091333.db2.gz BZSWFRFGLJOQID-MJGOQNOKSA-N 1 0 399.922 4.013 20 0 GIADRO CC(C)n1ccc2c1ncnc2N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164624995 719093273 /nfs/dbraw/zinc/09/32/73/719093273.db2.gz FXFGIWDPBGQXRF-FPOVZHCZSA-N 1 0 375.520 4.113 20 0 GIADRO Cc1nc(C[N@H+]2CCCC23CCN(c2cc(C)nc(C(C)C)n2)CC3)cs1 ZINC001164691295 719813124 /nfs/dbraw/zinc/81/31/24/719813124.db2.gz DVAOIPDHCZHDOU-UHFFFAOYSA-N 1 0 385.581 4.308 20 0 GIADRO Cc1cccc2ccc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)nc12 ZINC001164701275 719885907 /nfs/dbraw/zinc/88/59/07/719885907.db2.gz MXBUESDHWYZUGF-UHFFFAOYSA-N 1 0 393.556 4.476 20 0 GIADRO Fc1ccc2ccc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)nc2c1 ZINC001164707320 719898654 /nfs/dbraw/zinc/89/86/54/719898654.db2.gz PITZXFFSNHFVEU-UHFFFAOYSA-N 1 0 397.519 4.307 20 0 GIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(Cl)nc3ccccc31)C2 ZINC001164809343 720066556 /nfs/dbraw/zinc/06/65/56/720066556.db2.gz JPHVMXLQUAAGPF-JTSKRJEESA-N 1 0 385.939 4.073 20 0 GIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(C3CCCCC3)nc(C)n1)C2 ZINC001164818098 720156790 /nfs/dbraw/zinc/15/67/90/720156790.db2.gz RTYLRMUSIIIWRT-URXFXBBRSA-N 1 0 398.595 4.017 20 0 GIADRO Cc1ccc2nc(Cl)cc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c2c1 ZINC001164722481 720364275 /nfs/dbraw/zinc/36/42/75/720364275.db2.gz CUOHMAMZPZRVNF-PMACEKPBSA-N 1 0 378.907 4.445 20 0 GIADRO Cc1ccc2c(c1)cc(Cl)nc2N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164727740 720415154 /nfs/dbraw/zinc/41/51/54/720415154.db2.gz FAYMGVOTKNWQLM-UXHICEINSA-N 1 0 378.907 4.445 20 0 GIADRO Cc1cc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)nc2c(Cl)cccc12 ZINC001164726388 720417152 /nfs/dbraw/zinc/41/71/52/720417152.db2.gz BVYGNQBMEJJMCC-PMACEKPBSA-N 1 0 378.907 4.445 20 0 GIADRO Clc1cccc(-c2ccc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)nn2)c1 ZINC001164734392 720442544 /nfs/dbraw/zinc/44/25/44/720442544.db2.gz RTUJIRANAAXDBP-SFTDATJTSA-N 1 0 391.906 4.045 20 0 GIADRO CC(C)c1cc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)nc(C(C)(C)C)n1 ZINC001164729428 720455757 /nfs/dbraw/zinc/45/57/57/720455757.db2.gz HKRUNWFCYMHOEC-UXHICEINSA-N 1 0 379.552 4.146 20 0 GIADRO Fc1ccc(Cl)c2ccc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)nc12 ZINC001164724783 720474222 /nfs/dbraw/zinc/47/42/22/720474222.db2.gz HHTYKOTZEKIRRH-OALUTQOASA-N 1 0 382.870 4.276 20 0 GIADRO Cc1cccc2cc(Cl)nc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c12 ZINC001164731147 720474368 /nfs/dbraw/zinc/47/43/68/720474368.db2.gz WDLCCMKVTGITPC-MOPGFXCFSA-N 1 0 378.907 4.445 20 0 GIADRO Cc1ccc(C(F)(F)N([C@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)nc1Cl ZINC001164736432 720545720 /nfs/dbraw/zinc/54/57/20/720545720.db2.gz YCXWLJZREBZREY-CQSZACIVSA-N 1 0 387.902 4.104 20 0 GIADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncc(F)cc1Cl)CC2 ZINC001164845332 720683739 /nfs/dbraw/zinc/68/37/39/720683739.db2.gz YHYPUUCKEVZKSQ-GOSISDBHSA-N 1 0 389.902 4.134 20 0 GIADRO CC(C)c1ccc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc1 ZINC001164840466 720694632 /nfs/dbraw/zinc/69/46/32/720694632.db2.gz FAWUYOKTHHJVAJ-QFIPXVFZSA-N 1 0 379.548 4.465 20 0 GIADRO CC(C)Oc1cccc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164842773 720695748 /nfs/dbraw/zinc/69/57/48/720695748.db2.gz NDOAAORTSWKZJY-OAQYLSRUSA-N 1 0 395.547 4.129 20 0 GIADRO Cc1cccc(-c2ccc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@H]3C)nn2)c1 ZINC001164859765 721004214 /nfs/dbraw/zinc/00/42/14/721004214.db2.gz MLNINYHNWLKCRR-GOSISDBHSA-N 1 0 390.535 4.070 20 0 GIADRO CC[C@@H](C)c1nc2[nH]ccc2c(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)n1 ZINC001164861033 721023671 /nfs/dbraw/zinc/02/36/71/721023671.db2.gz NBJYLEPYSVSQHL-HZPDHXFCSA-N 1 0 395.555 4.089 20 0 GIADRO Cc1ccc(C[NH+]2CCC3(CCN(c4nccc(NC5CC5)n4)CC3)CC2)cc1 ZINC001164765240 721041155 /nfs/dbraw/zinc/04/11/55/721041155.db2.gz OIUVCRXUEZDREJ-UHFFFAOYSA-N 1 0 391.563 4.242 20 0 GIADRO Cc1ccc(C[NH+]2CCC3(CCN(c4nccc5c4ncn5C)CC3)CC2)cc1 ZINC001164759155 721042874 /nfs/dbraw/zinc/04/28/74/721042874.db2.gz HWGVTQRXYZVEDX-UHFFFAOYSA-N 1 0 389.547 4.159 20 0 GIADRO COCc1cc(N2CCC3(CC2)CC[NH+](Cc2ccc(C)cc2)CC3)nc(C)n1 ZINC001164760583 721043946 /nfs/dbraw/zinc/04/39/46/721043946.db2.gz WYPRPERTQNQACO-UHFFFAOYSA-N 1 0 394.563 4.122 20 0 GIADRO Fc1ccc(-c2csc3ncnc(N4CC5(C4)CC[N@H+](CC4CC4)C5)c23)cc1 ZINC001164767997 721296527 /nfs/dbraw/zinc/29/65/27/721296527.db2.gz CZRPAUQADGVPSH-UHFFFAOYSA-N 1 0 394.519 4.420 20 0 GIADRO Cc1cccc(Oc2nc(Cl)ncc2N2CC3(C2)CC[N@H+](CC2CC2)C3)c1 ZINC001164774641 721302536 /nfs/dbraw/zinc/30/25/36/721302536.db2.gz FTAWCMBJSHOILU-UHFFFAOYSA-N 1 0 384.911 4.153 20 0 GIADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccnc(-c3ccccc3)n1)CC2 ZINC001164792098 721491456 /nfs/dbraw/zinc/49/14/56/721491456.db2.gz GNYBFUXXYQKEKG-UHFFFAOYSA-N 1 0 399.542 4.420 20 0 GIADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc3ncc(F)cc3n1)CC2 ZINC001164795469 721498895 /nfs/dbraw/zinc/49/88/95/721498895.db2.gz IBVITJHUNIPOFS-UHFFFAOYSA-N 1 0 391.494 4.045 20 0 GIADRO CSc1cnc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c(C)c1 ZINC001164795110 721499130 /nfs/dbraw/zinc/49/91/30/721499130.db2.gz DGWTWUWZYRWJQC-UHFFFAOYSA-N 1 0 382.577 4.388 20 0 GIADRO CCCSc1cncc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164795778 721501570 /nfs/dbraw/zinc/50/15/70/721501570.db2.gz LVUZEGALWGMFIY-UHFFFAOYSA-N 1 0 397.592 4.255 20 0 GIADRO Cc1cc2ccccc2c(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164903017 721544967 /nfs/dbraw/zinc/54/49/67/721544967.db2.gz BVBXAVPINILQOZ-CTNGQTDRSA-N 1 0 377.463 4.024 20 0 GIADRO Fc1cc(Cl)cnc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164907487 721585795 /nfs/dbraw/zinc/58/57/95/721585795.db2.gz UIVMZSDUTWRCOS-GOSISDBHSA-N 1 0 396.844 4.007 20 0 GIADRO FC1(F)CCN(c2cc3ccccc3cn2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164908242 721691717 /nfs/dbraw/zinc/69/17/17/721691717.db2.gz YEJLXXNXARRYLP-JOCHJYFZSA-N 1 0 394.469 4.368 20 0 GIADRO CC(C)c1ccc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164905598 721708116 /nfs/dbraw/zinc/70/81/16/721708116.db2.gz HWDXELIFZNXPNY-NRFANRHFSA-N 1 0 386.490 4.338 20 0 GIADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCc3ncnc(C4CC4)c3CC2)nc1 ZINC001164914744 721804418 /nfs/dbraw/zinc/80/44/18/721804418.db2.gz FNIUMGHGZSXGSF-QFIPXVFZSA-N 1 0 391.563 4.291 20 0 GIADRO Cc1cccc2c1ncnc2N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165018585 721806026 /nfs/dbraw/zinc/80/60/26/721806026.db2.gz BJYFBPACRIJWOA-NYVOZVTQSA-N 1 0 387.531 4.070 20 0 GIADRO Cc1c[nH]c2nc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)ccc12 ZINC001165027196 721807379 /nfs/dbraw/zinc/80/73/79/721807379.db2.gz UFPZHCVXPRSQMV-DZFGPLHGSA-N 1 0 375.520 4.003 20 0 GIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nccc4ccsc43)C[C@H]21 ZINC001165026933 721807724 /nfs/dbraw/zinc/80/77/24/721807724.db2.gz SPCWGFXANYVCBQ-MISYRCLQSA-N 1 0 378.545 4.428 20 0 GIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)cc(C4CC4)n3)C[C@H]21 ZINC001165027460 721813484 /nfs/dbraw/zinc/81/34/84/721813484.db2.gz UURNLJUDQOUZNH-ILZDJORESA-N 1 0 397.954 4.139 20 0 GIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)cc(C4CC4)n3)C[C@@H]21 ZINC001165027463 721813545 /nfs/dbraw/zinc/81/35/45/721813545.db2.gz UURNLJUDQOUZNH-IMFGXOCKSA-N 1 0 397.954 4.139 20 0 GIADRO Cc1cc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc2[nH]ccc21 ZINC001165028289 721818012 /nfs/dbraw/zinc/81/80/12/721818012.db2.gz XHBACILAOADBKU-DZFGPLHGSA-N 1 0 375.520 4.003 20 0 GIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nccc3oc(C)cc32)CC1 ZINC001165021264 721844418 /nfs/dbraw/zinc/84/44/18/721844418.db2.gz JXIOSVVDOJXWFD-UHFFFAOYSA-N 1 0 395.503 4.254 20 0 GIADRO Cc1cccc(-c2cc(C(F)(F)N3CCC[C@H]([NH+](C)C)C3)c(Cl)nn2)c1 ZINC001165035990 721899543 /nfs/dbraw/zinc/89/95/43/721899543.db2.gz FQZOFIOSZMTXMZ-HNNXBMFYSA-N 1 0 380.870 4.181 20 0 GIADRO c1csc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3c2ncnc3c2ccn3C2CCCC2)c1 ZINC001164937385 721912893 /nfs/dbraw/zinc/91/28/93/721912893.db2.gz LRLJWCILVQUOAD-HDICACEKSA-N 1 0 393.560 4.461 20 0 GIADRO Cc1c[nH]c2nc(N3CCC4(CC3)C[N@H+](Cc3ccc(C)cc3)CCO4)ccc12 ZINC001164940972 721924376 /nfs/dbraw/zinc/92/43/76/721924376.db2.gz XNZRRFPHHHYQNF-UHFFFAOYSA-N 1 0 390.531 4.051 20 0 GIADRO CN(CC1CC[NH+](C)CC1)C(F)(F)c1cc(Cl)nc(-c2ccccc2)n1 ZINC001165042014 721934966 /nfs/dbraw/zinc/93/49/66/721934966.db2.gz AYTBRDYYORHRDE-UHFFFAOYSA-N 1 0 380.870 4.120 20 0 GIADRO COc1ccc(-c2csc3ncnc(N(C)CC4CC[NH+](C)CC4)c23)cc1 ZINC000505595204 721936707 /nfs/dbraw/zinc/93/67/07/721936707.db2.gz BYACGEWNBQMXJO-UHFFFAOYSA-N 1 0 382.533 4.145 20 0 GIADRO CN(CC1CC[NH+](C)CC1)c1nnc(-c2ccc(F)c(F)c2)c2ccccc21 ZINC001165043371 721936727 /nfs/dbraw/zinc/93/67/27/721936727.db2.gz UJRSKEIVTVYEIK-UHFFFAOYSA-N 1 0 382.458 4.353 20 0 GIADRO CN(CC1CC[NH+](C)CC1)C(F)(F)c1cc(-c2ccccc2F)nnc1Cl ZINC001165044118 721939373 /nfs/dbraw/zinc/93/93/73/721939373.db2.gz ITFIBHXEJWIDBU-UHFFFAOYSA-N 1 0 398.860 4.259 20 0 GIADRO C[NH+](C)CC1CCN(C(F)(F)c2cc(Cl)nc(-c3ccccc3)n2)CC1 ZINC001165041673 721946762 /nfs/dbraw/zinc/94/67/62/721946762.db2.gz HRTVGQKGZKTCCK-UHFFFAOYSA-N 1 0 380.870 4.120 20 0 GIADRO CN(C)c1ccc(-c2ccnc(N3CCCC[C@H]3CC[NH+]3CCCC3)n2)cc1 ZINC001165048093 721974146 /nfs/dbraw/zinc/97/41/46/721974146.db2.gz IYKLJGWAGMLINK-NRFANRHFSA-N 1 0 379.552 4.054 20 0 GIADRO Fc1ccc2ccc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)nc2c1 ZINC001164955621 722022540 /nfs/dbraw/zinc/02/25/40/722022540.db2.gz KNOGBKXMGPFLAU-UHFFFAOYSA-N 1 0 376.479 4.261 20 0 GIADRO CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2C[N@H+](C(C)(C)c3ccnc(Cl)c3)C[C@H]21 ZINC001164981578 722098366 /nfs/dbraw/zinc/09/83/66/722098366.db2.gz LTHKJQDVUPGMLS-QWFCFKBJSA-N 1 0 398.938 4.012 20 0 GIADRO Cc1cccc2ncc(N3CCC[C@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)nc12 ZINC001164993626 722197735 /nfs/dbraw/zinc/19/77/35/722197735.db2.gz FVGYVSSJQYUQMY-QHCPKHFHSA-N 1 0 376.479 4.322 20 0 GIADRO COc1ccc2nc(N3CCC[C@@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)ncc2c1 ZINC001164994974 722200699 /nfs/dbraw/zinc/20/06/99/722200699.db2.gz JZLGEEDPDWWFIZ-HSZRJFAPSA-N 1 0 392.478 4.022 20 0 GIADRO COc1nnc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c2ccccc21 ZINC001164995457 722207754 /nfs/dbraw/zinc/20/77/54/722207754.db2.gz NTGXJLIFRPBPLC-QHCPKHFHSA-N 1 0 392.478 4.022 20 0 GIADRO C[C@H]([NH2+]CCc1nc2c(s1)CCCC2)c1ncc(Br)cc1F ZINC000187339818 823045826 /nfs/dbraw/zinc/04/58/26/823045826.db2.gz SRAMHNXDJXWRKQ-JTQLQIEISA-N 1 0 384.318 4.212 20 0 GIADRO Cc1cc(C[NH2+][C@H](C)C2CCS(=O)(=O)CC2)ccc1Oc1ccc(F)cc1 ZINC000187339417 823045893 /nfs/dbraw/zinc/04/58/93/823045893.db2.gz BDNZMPHYHNTZLF-MRXNPFEDSA-N 1 0 391.508 4.229 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCC([C@@H]3CCCO3)CC2)C1 ZINC000187344703 823046554 /nfs/dbraw/zinc/04/65/54/823046554.db2.gz PRIJMPUQTGQKDW-CVDCTZTESA-N 1 0 399.579 4.019 20 0 GIADRO Cc1cc(Br)c(F)cc1NC(=O)c1ccccc1OCC[NH+](C)C ZINC000187346148 823046750 /nfs/dbraw/zinc/04/67/50/823046750.db2.gz HRFATLRYOBFARL-UHFFFAOYSA-N 1 0 395.272 4.089 20 0 GIADRO CCCOc1ccc(C[NH2+]Cc2cn3ccc(Br)cc3n2)c(C)c1 ZINC000570505155 823047499 /nfs/dbraw/zinc/04/74/99/823047499.db2.gz FYGQINOUYATDSO-UHFFFAOYSA-N 1 0 388.309 4.484 20 0 GIADRO COc1cccc(OCCC[NH2+][C@@H](C)c2ncc(Br)cc2F)c1 ZINC000187349563 823047548 /nfs/dbraw/zinc/04/75/48/823047548.db2.gz IQPDBKXDLSKOCE-LBPRGKRZSA-N 1 0 383.261 4.112 20 0 GIADRO O=C(c1cccc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)c1)N1CCCCC1 ZINC000175821061 823047822 /nfs/dbraw/zinc/04/78/22/823047822.db2.gz JTGPNODRGNQPIJ-RTWAWAEBSA-N 1 0 398.572 4.462 20 0 GIADRO CSC1(CNC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC[NH+](C)CC1 ZINC000570505386 823047793 /nfs/dbraw/zinc/04/77/93/823047793.db2.gz YXIXSQRLVQDRTR-UHFFFAOYSA-N 1 0 395.878 4.308 20 0 GIADRO O=S1(=O)CCc2cc(C[NH2+][C@H]3CC=C(c4ccc(Cl)cc4)CC3)ccc21 ZINC000570516689 823048912 /nfs/dbraw/zinc/04/89/12/823048912.db2.gz KMFSWTVHPGALKX-FQEVSTJZSA-N 1 0 387.932 4.396 20 0 GIADRO Cc1cc(CCC(=O)NC2CC[NH+](C(C)(C)C)CC2)ccc1Br ZINC000175826237 823049000 /nfs/dbraw/zinc/04/90/00/823049000.db2.gz CYGBOBLOAUCKAG-UHFFFAOYSA-N 1 0 381.358 4.069 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)NC2CCC(C(F)F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000458509666 823049178 /nfs/dbraw/zinc/04/91/78/823049178.db2.gz WRWPCMGTAFZAMQ-JYPHPWERSA-N 1 0 379.495 4.163 20 0 GIADRO C[C@H]1C[C@H](NC(=O)NC2CCC(C(F)F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000458509664 823049097 /nfs/dbraw/zinc/04/90/97/823049097.db2.gz WRWPCMGTAFZAMQ-GWFLUQINSA-N 1 0 379.495 4.163 20 0 GIADRO CSCc1cc(F)ccc1CNC(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000458520712 823050309 /nfs/dbraw/zinc/05/03/09/823050309.db2.gz GSARWISWIQIEFH-UHFFFAOYSA-N 1 0 395.569 4.024 20 0 GIADRO O[C@@H](C[C@@H]1CCC[N@@H+]1CCCc1nc(-c2ccccc2)no1)c1cccs1 ZINC000175834408 823050874 /nfs/dbraw/zinc/05/08/74/823050874.db2.gz DXOCUIWFYGSPQF-ROUUACIJSA-N 1 0 383.517 4.319 20 0 GIADRO Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)NC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000175837590 823051697 /nfs/dbraw/zinc/05/16/97/823051697.db2.gz FJKXDCGFQZVSMJ-NZQKXSOJSA-N 1 0 399.579 4.169 20 0 GIADRO O=C(c1ccccc1C(F)(F)F)N1CCC([NH2+]Cc2cccc(F)c2)CC1 ZINC000187380763 823052945 /nfs/dbraw/zinc/05/29/45/823052945.db2.gz UNQFZIZROHVBDV-UHFFFAOYSA-N 1 0 380.385 4.239 20 0 GIADRO CCCC[N@H+](CC)Cc1cccc(CNC(=O)N(C)Cc2cccc(C)n2)c1 ZINC000458539783 823052964 /nfs/dbraw/zinc/05/29/64/823052964.db2.gz JZILNFFIRRAXDF-UHFFFAOYSA-N 1 0 382.552 4.354 20 0 GIADRO O=C(c1ccccc1C(F)(F)F)N1CCC([NH2+]Cc2c(F)cccc2F)CC1 ZINC000187381539 823053090 /nfs/dbraw/zinc/05/30/90/823053090.db2.gz DQNHDIKYYSMSAZ-UHFFFAOYSA-N 1 0 398.375 4.378 20 0 GIADRO COc1ccc(C[N@H+](Cc2ccc(OCc3noc(C)n3)cc2)C2CC2)cc1 ZINC000120731906 823054282 /nfs/dbraw/zinc/05/42/82/823054282.db2.gz VFFKRAORVMROAF-UHFFFAOYSA-N 1 0 379.460 4.130 20 0 GIADRO CN1CC[C@H]([NH2+]C[C@H](O)Cc2ccc3ccccc3c2)[C@H]1c1ccc(F)c(F)c1 ZINC000570554731 823053471 /nfs/dbraw/zinc/05/34/71/823053471.db2.gz HEMYXRLHMVEQSF-FGCOXFRFSA-N 1 0 396.481 4.056 20 0 GIADRO O=C(NCC1([NH+]2CCCCC2)CCCCC1)Nc1ccc2cc[nH]c(=O)c2c1 ZINC000570565020 823055716 /nfs/dbraw/zinc/05/57/16/823055716.db2.gz BCEIBXUSIDAQAW-UHFFFAOYSA-N 1 0 382.508 4.251 20 0 GIADRO C[C@H](N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1ncc(Br)cc1F ZINC000187403571 823056606 /nfs/dbraw/zinc/05/66/06/823056606.db2.gz GUAIMAMOOZBIBL-ULFGMLNVSA-N 1 0 378.289 4.079 20 0 GIADRO Cc1noc([C@@H](C)N(C)C(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)n1 ZINC000570580522 823057089 /nfs/dbraw/zinc/05/70/89/823057089.db2.gz YLGRXAGVEYMDFX-MRXNPFEDSA-N 1 0 399.539 4.045 20 0 GIADRO CCO[C@@H]1CCN(C(=O)NC[C@H](CC(C)C)[NH2+][C@H](C)c2ccccc2)C[C@H]1C ZINC000458569144 823057460 /nfs/dbraw/zinc/05/74/60/823057460.db2.gz VKWRTTCPNWNNRE-KRXUUXHPSA-N 1 0 389.584 4.208 20 0 GIADRO CCc1cccc(C)c1NC(=O)CNc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000055870339 823057595 /nfs/dbraw/zinc/05/75/95/823057595.db2.gz QLWJAUVOTVGPFX-OALUTQOASA-N 1 0 395.547 4.217 20 0 GIADRO O[C@@H](C[C@@H]1CCCCC[N@@H+]1Cc1ccc(-n2ccnc2)nc1)c1cccs1 ZINC000175862574 823058091 /nfs/dbraw/zinc/05/80/91/823058091.db2.gz DPOZQSBNRZOTOB-OALUTQOASA-N 1 0 382.533 4.197 20 0 GIADRO Cc1c([C@H](C)[NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)nnn1-c1ccc(F)cc1 ZINC000570607691 823061414 /nfs/dbraw/zinc/06/14/14/823061414.db2.gz HIUQHCKLSYZVRP-RVHYNSKXSA-N 1 0 380.467 4.286 20 0 GIADRO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000120777199 823061878 /nfs/dbraw/zinc/06/18/78/823061878.db2.gz ZIMPNUYKRVTGCJ-CQSZACIVSA-N 1 0 392.950 4.015 20 0 GIADRO CC(C)[NH+](CCCNC(=O)Nc1ccc(OCC2CCOCC2)cc1)C(C)C ZINC000175881114 823062588 /nfs/dbraw/zinc/06/25/88/823062588.db2.gz UUCIYEABVATONP-UHFFFAOYSA-N 1 0 391.556 4.122 20 0 GIADRO COc1ccc(C[N@H+](Cc2cccc(C(=O)NCc3ccco3)c2)C2CC2)cc1 ZINC000055899699 823063642 /nfs/dbraw/zinc/06/36/42/823063642.db2.gz NSFCHNMGBGTPMP-UHFFFAOYSA-N 1 0 390.483 4.383 20 0 GIADRO CN(C(=O)NCc1ccc(C(F)F)cc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458634955 823067667 /nfs/dbraw/zinc/06/76/67/823067667.db2.gz BBLAJLUOMALOGD-UHFFFAOYSA-N 1 0 393.400 4.182 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)NCC2(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000187446159 823065223 /nfs/dbraw/zinc/06/52/23/823065223.db2.gz WEAIRFCXYYUILI-MRXNPFEDSA-N 1 0 397.485 4.110 20 0 GIADRO C[C@@H](NC(=O)N1CCc2c(Cl)cc(F)cc2C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000458627046 823066080 /nfs/dbraw/zinc/06/60/80/823066080.db2.gz GRLUHNMPZWZXBN-CABCVRRESA-N 1 0 393.934 4.200 20 0 GIADRO C[C@H](NC(=O)N1CC(c2cccc(Cl)c2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000458630170 823066704 /nfs/dbraw/zinc/06/67/04/823066704.db2.gz KHVGWTIYDIMSNL-DOTOQJQBSA-N 1 0 375.944 4.102 20 0 GIADRO Fc1ccc([C@H](C[C@H]2CCOC2)[NH2+]Cc2ccc(OCC(F)(F)F)nc2)cc1 ZINC000570654291 823067391 /nfs/dbraw/zinc/06/73/91/823067391.db2.gz VIXODPOYLMWKAU-KDOFPFPSSA-N 1 0 398.400 4.419 20 0 GIADRO CC(C)(C)CC[NH+]1CCN(CCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000055934005 823068351 /nfs/dbraw/zinc/06/83/51/823068351.db2.gz QLWHGXICMNIUHU-UHFFFAOYSA-N 1 0 386.367 4.376 20 0 GIADRO CC(C)[C@H](CNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)c1cccnc1 ZINC000175904110 823068479 /nfs/dbraw/zinc/06/84/79/823068479.db2.gz GIFQXRNEURSEIP-IRLDBZIGSA-N 1 0 386.584 4.119 20 0 GIADRO CC(C)[C@@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1cccnc1 ZINC000175904129 823068565 /nfs/dbraw/zinc/06/85/65/823068565.db2.gz GIFQXRNEURSEIP-RBBKRZOGSA-N 1 0 386.584 4.119 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC(=O)N1CCC(CC[NH3+])CC1 ZINC000570688744 823072221 /nfs/dbraw/zinc/07/22/21/823072221.db2.gz BBRVSKOYHZNFJX-INIZCTEOSA-N 1 0 386.565 4.258 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)C1 ZINC000120820856 823071101 /nfs/dbraw/zinc/07/11/01/823071101.db2.gz IBRVHMRMZDUSSM-YNVMFWSZSA-N 1 0 376.491 4.181 20 0 GIADRO OC[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1)c1ccccc1Cl ZINC000570682036 823071529 /nfs/dbraw/zinc/07/15/29/823071529.db2.gz ORUJEVLJLBSLED-VQTJNVASSA-N 1 0 384.951 4.203 20 0 GIADRO C[NH+](C)CCc1ccc(CNC(=O)N2CC3(CCC3)[C@@H]2c2ccccc2)cc1 ZINC000458688642 823074326 /nfs/dbraw/zinc/07/43/26/823074326.db2.gz MHAMQMZSMYUIST-QFIPXVFZSA-N 1 0 377.532 4.228 20 0 GIADRO Cc1cccc(NC(=O)NC[C@H](c2cccs2)[NH+](C)C)c1Br ZINC000120842376 823075148 /nfs/dbraw/zinc/07/51/48/823075148.db2.gz DQOFMILMFCMWDB-CYBMUJFWSA-N 1 0 382.327 4.243 20 0 GIADRO CC(C)[C@@H](CC(F)(F)F)NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000458698666 823075738 /nfs/dbraw/zinc/07/57/38/823075738.db2.gz WJIQAZVTZTUBLN-SJLPKXTDSA-N 1 0 385.474 4.127 20 0 GIADRO Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000458701481 823076111 /nfs/dbraw/zinc/07/61/11/823076111.db2.gz CPFLQRJBSDFGOV-KSSFIOAISA-N 1 0 383.458 4.114 20 0 GIADRO CC(C)[C@H](CC(F)(F)F)NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458703520 823076491 /nfs/dbraw/zinc/07/64/91/823076491.db2.gz ZXEDKLWTNFKEGR-ZDUSSCGKSA-N 1 0 391.400 4.022 20 0 GIADRO CCc1cccc(NC(=O)C(=O)Nc2cccc3c2C[N@@H+]([C@@H](C)C(C)C)C3)c1 ZINC000187510632 823077778 /nfs/dbraw/zinc/07/77/78/823077778.db2.gz GPJRPLFHRILINJ-INIZCTEOSA-N 1 0 379.504 4.186 20 0 GIADRO COCc1c(C(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)sc2cccc(F)c21 ZINC000570733531 823077991 /nfs/dbraw/zinc/07/79/91/823077991.db2.gz PSUMDLDDAXREIV-CQSZACIVSA-N 1 0 390.524 4.133 20 0 GIADRO CCC[C@@H](NC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C1CCCC1 ZINC000458722995 823078263 /nfs/dbraw/zinc/07/82/63/823078263.db2.gz AQTOUQCGCXWYLE-DAWZGUTISA-N 1 0 389.506 4.450 20 0 GIADRO c1ccc(CCCO[C@@H]2CC[N@H+](CCc3nc(-c4ccccc4)no3)C2)cc1 ZINC000175955138 823081755 /nfs/dbraw/zinc/08/17/55/823081755.db2.gz WGNDVSHZEVFIQH-OAQYLSRUSA-N 1 0 377.488 4.003 20 0 GIADRO 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 823080539 /nfs/dbraw/zinc/08/05/39/823080539.db2.gz WQMPPTNQWBSTKY-QRFRQXIXSA-N 1 0 395.469 4.079 20 0 GIADRO C[C@H](N[C@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(N2CCCC2=O)cc1 ZINC000120874108 823080782 /nfs/dbraw/zinc/08/07/82/823080782.db2.gz GFZTZZAQXMWXMB-WMZHIEFXSA-N 1 0 377.532 4.301 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)c1ccc(N2CCCC2=O)cc1 ZINC000056041830 823081274 /nfs/dbraw/zinc/08/12/74/823081274.db2.gz FFRBDPRSBLFPSC-UHFFFAOYSA-N 1 0 391.515 4.094 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)c1cccc(-n2cccn2)c1 ZINC000570754326 823081314 /nfs/dbraw/zinc/08/13/14/823081314.db2.gz NJSDGMLRHNHQSL-UHFFFAOYSA-N 1 0 388.515 4.178 20 0 GIADRO CC[C@@H](C)[NH2+][C@H](CNC(=O)N1CC(c2cccc(Cl)c2)C1)c1ccco1 ZINC000458761394 823082503 /nfs/dbraw/zinc/08/25/03/823082503.db2.gz HMNGPMUHQLLSOQ-RDTXWAMCSA-N 1 0 375.900 4.171 20 0 GIADRO CC[C@H](C)[NH2+][C@H](CNC(=O)N1[C@H](C)[C@@H](CC(F)(F)F)C[C@@H]1C)c1ccco1 ZINC000458767049 823082906 /nfs/dbraw/zinc/08/29/06/823082906.db2.gz LLYHAOSRAUNDCU-AALSBFMBSA-N 1 0 389.462 4.470 20 0 GIADRO c1ccn2c(c1)nnc2C1CC[NH+](Cc2cccc(OC3CCCC3)c2)CC1 ZINC000120894945 823083376 /nfs/dbraw/zinc/08/33/76/823083376.db2.gz OVAREDAJCQMGPU-UHFFFAOYSA-N 1 0 376.504 4.430 20 0 GIADRO O=C(Nc1ccccc1F)Nc1cccc2c1CC[N@H+](CC[C@@H]1CCOC1)C2 ZINC000570765451 823083570 /nfs/dbraw/zinc/08/35/70/823083570.db2.gz PMNPHTXKYGUDSW-MRXNPFEDSA-N 1 0 383.467 4.254 20 0 GIADRO CCO[C@@H]1C[C@]([NH3+])(C(=O)Nc2cccc(CO[C@@H]3CCC[C@H](C)C3)c2)C1(C)C ZINC000187536762 823084256 /nfs/dbraw/zinc/08/42/56/823084256.db2.gz VWEOVXBRLGIORY-RLBWGYBJSA-N 1 0 388.552 4.253 20 0 GIADRO C[NH+](C)Cc1ccc(C(=O)Nc2cc(-c3ccc(OC(F)F)cc3)no2)cc1 ZINC000175969799 823084653 /nfs/dbraw/zinc/08/46/53/823084653.db2.gz XDGBIYHBWGTRJL-UHFFFAOYSA-N 1 0 387.386 4.257 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)NC[C@H](c2ccccc2)C2CC2)CC1 ZINC000458793168 823086043 /nfs/dbraw/zinc/08/60/43/823086043.db2.gz MQNNXRQRHWTVLP-XMMPIXPASA-N 1 0 391.559 4.486 20 0 GIADRO Cc1nn(C)c(Cl)c1C[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000120953562 823092152 /nfs/dbraw/zinc/09/21/52/823092152.db2.gz CXASBZBANMJIGT-UHFFFAOYSA-N 1 0 397.228 4.008 20 0 GIADRO FC(F)(F)Oc1ccccc1C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000120925472 823087724 /nfs/dbraw/zinc/08/77/24/823087724.db2.gz XXNXHXFOJHFTNE-UHFFFAOYSA-N 1 0 376.382 4.008 20 0 GIADRO CC(C)[NH2+]C1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2C(C)C)CC1 ZINC000570792046 823088001 /nfs/dbraw/zinc/08/80/01/823088001.db2.gz OVFRSRPFENGRGU-UHFFFAOYSA-N 1 0 394.523 4.148 20 0 GIADRO [NH3+]C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000570792573 823088142 /nfs/dbraw/zinc/08/81/42/823088142.db2.gz MLHXAJHNJWXNDS-RCCFBDPRSA-N 1 0 389.524 4.263 20 0 GIADRO Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000570800886 823089382 /nfs/dbraw/zinc/08/93/82/823089382.db2.gz AZQITESRZDCJSR-SFHVURJKSA-N 1 0 394.519 4.101 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCC2)CC[N@@H+]1C ZINC000175988740 823089721 /nfs/dbraw/zinc/08/97/21/823089721.db2.gz NESCVXVNWYVMKK-CRAIPNDOSA-N 1 0 397.485 4.251 20 0 GIADRO CCC(C)(C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000056153021 823089736 /nfs/dbraw/zinc/08/97/36/823089736.db2.gz MDSADAHCEXRFHK-DLBZAZTESA-N 1 0 381.520 4.283 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]Cc2ccc(Cl)cc2F)c1 ZINC000187581985 823092422 /nfs/dbraw/zinc/09/24/22/823092422.db2.gz LUKIFNLVQJQCRC-LBPRGKRZSA-N 1 0 380.847 4.003 20 0 GIADRO COC(=O)c1cccc(C[N@H+](Cc2ccc(OC(F)F)c(OC)c2)C2CC2)c1 ZINC000570829170 823092435 /nfs/dbraw/zinc/09/24/35/823092435.db2.gz LMDKCLVUGJKRNR-UHFFFAOYSA-N 1 0 391.414 4.248 20 0 GIADRO Clc1ccc(-c2noc(CC[NH2+]Cc3cnc(-c4ccccc4)[nH]3)n2)cc1 ZINC000175993849 823090814 /nfs/dbraw/zinc/09/08/14/823090814.db2.gz BANHOSGBPIVHOG-UHFFFAOYSA-N 1 0 379.851 4.112 20 0 GIADRO COc1cc(Br)ccc1C[NH2+][C@@H](C)CC(=O)Nc1ccccc1C ZINC000187574807 823090846 /nfs/dbraw/zinc/09/08/46/823090846.db2.gz JQYJJRHEYLRDKH-AWEZNQCLSA-N 1 0 391.309 4.273 20 0 GIADRO COc1cc(C)c([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc(Cl)c2)cc1OC ZINC000056154180 823090956 /nfs/dbraw/zinc/09/09/56/823090956.db2.gz LOTCCRUSIBBDDD-KGLIPLIRSA-N 1 0 376.884 4.343 20 0 GIADRO CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@H](C)c2cncc(Br)c2)c1 ZINC000570816226 823090970 /nfs/dbraw/zinc/09/09/70/823090970.db2.gz JRGYYIJYVCBFGF-ZIAGYGMSSA-N 1 0 390.325 4.223 20 0 GIADRO CCc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)cc1 ZINC000056159868 823092554 /nfs/dbraw/zinc/09/25/54/823092554.db2.gz XHNLLIGDSODLBT-HOTGVXAUSA-N 1 0 394.519 4.211 20 0 GIADRO CCc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)cc1 ZINC000056159867 823092119 /nfs/dbraw/zinc/09/21/19/823092119.db2.gz XHNLLIGDSODLBT-JKSUJKDBSA-N 1 0 394.519 4.211 20 0 GIADRO CCCOc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(F)cc2F)cc1OC ZINC000056161926 823092793 /nfs/dbraw/zinc/09/27/93/823092793.db2.gz UEQFHULPLMOIQA-UONOGXRCSA-N 1 0 392.446 4.440 20 0 GIADRO C[NH+](C)CCc1ccccc1NC(=O)NC[C@@H](Cc1ccccc1)C(F)(F)F ZINC000570860987 823097669 /nfs/dbraw/zinc/09/76/69/823097669.db2.gz COFNMLDRSMLJKO-GOSISDBHSA-N 1 0 393.453 4.333 20 0 GIADRO O=C(CC[NH2+][C@@H]1CCO[C@H](C2CC2)C1)Nc1ccc(Oc2ccccc2)cc1 ZINC000570836187 823093661 /nfs/dbraw/zinc/09/36/61/823093661.db2.gz CJEITAZBDDIZMK-KNQAVFIVSA-N 1 0 380.488 4.355 20 0 GIADRO CCCOc1ccc(C[NH+]2CCC(C(=O)NCc3ccccc3)CC2)cc1OC ZINC000120962214 823093695 /nfs/dbraw/zinc/09/36/95/823093695.db2.gz ZAYKKGGAHZCVIL-UHFFFAOYSA-N 1 0 396.531 4.012 20 0 GIADRO CCN(C(=O)NCCC1(COC)CCC1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000458830568 823093733 /nfs/dbraw/zinc/09/37/33/823093733.db2.gz NZSVGWARUCPIMK-FPOVZHCZSA-N 1 0 387.568 4.060 20 0 GIADRO O=C(c1cc(Br)cc2ccccc21)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000570840223 823094018 /nfs/dbraw/zinc/09/40/18/823094018.db2.gz TYNREYVWQBSAPC-MRXNPFEDSA-N 1 0 387.321 4.064 20 0 GIADRO COc1c(N[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc(Cl)cc1C(N)=O ZINC000570843025 823094176 /nfs/dbraw/zinc/09/41/76/823094176.db2.gz KGVLSPJFNAYCJT-QGZVFWFLSA-N 1 0 399.922 4.057 20 0 GIADRO C[C@@H](CCc1ccc(O)cc1)NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000120971676 823095321 /nfs/dbraw/zinc/09/53/21/823095321.db2.gz GHRWMAAMIVWODR-PELRDEGISA-N 1 0 387.568 4.056 20 0 GIADRO Cc1ccc([C@H]2CSCCN2C(=O)NCCCCC[NH+]2CCCC2)cc1 ZINC000458836962 823095554 /nfs/dbraw/zinc/09/55/54/823095554.db2.gz BWICJJZSFLDKFT-HXUWFJFHSA-N 1 0 375.582 4.061 20 0 GIADRO CCc1nnc(-c2ccc(NC(=O)NCC(C)(C)[N@@H+]3CCC[C@H](CC)C3)cc2)o1 ZINC000176013963 823095874 /nfs/dbraw/zinc/09/58/74/823095874.db2.gz NSXMQMHQSNSXBF-INIZCTEOSA-N 1 0 399.539 4.321 20 0 GIADRO CCCCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000056207093 823103230 /nfs/dbraw/zinc/10/32/30/823103230.db2.gz HSMLSCFBEQDXNM-CVEARBPZSA-N 1 0 385.483 4.033 20 0 GIADRO O=C(CCc1cc(Cl)ccc1Br)NC1CC[NH+](CC2CC2)CC1 ZINC000176026595 823099153 /nfs/dbraw/zinc/09/91/53/823099153.db2.gz QRDBFUMOLHNYFS-UHFFFAOYSA-N 1 0 399.760 4.026 20 0 GIADRO CCC[N@H+](C)[C@H](CNC(=O)c1cc(-c2cccnc2)on1)c1ccc(Cl)cc1 ZINC000570874309 823099900 /nfs/dbraw/zinc/09/99/00/823099900.db2.gz XGTDLAFBGARVQB-LJQANCHMSA-N 1 0 398.894 4.203 20 0 GIADRO CC(C)[N@H+](C)Cc1cccc(CNS(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000570874157 823099969 /nfs/dbraw/zinc/09/99/69/823099969.db2.gz QQUILBGVOGMWPS-UHFFFAOYSA-N 1 0 382.529 4.159 20 0 GIADRO CCN(C(=O)NC[C@H](c1ccc(SC)cc1)[NH+](C)C)[C@@H]1CCOC(C)(C)C1 ZINC000458878928 823100726 /nfs/dbraw/zinc/10/07/26/823100726.db2.gz BVMOIJBAPDWMAQ-IEBWSBKVSA-N 1 0 393.597 4.000 20 0 GIADRO CC1(C)OCc2cc(C[NH2+]CCc3ccc(OCC(F)(F)F)nc3)ccc2O1 ZINC000187629130 823101126 /nfs/dbraw/zinc/10/11/26/823101126.db2.gz ZVGUOMNFKUNBCG-UHFFFAOYSA-N 1 0 396.409 4.000 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000570891331 823103127 /nfs/dbraw/zinc/10/31/27/823103127.db2.gz HLCSTWLPPYXESM-QFBILLFUSA-N 1 0 381.923 4.097 20 0 GIADRO Cc1ccc(-c2ocnc2-c2nc(-c3ccc(OCC[NH+](C)C)cc3)no2)cc1 ZINC000570884664 823101859 /nfs/dbraw/zinc/10/18/59/823101859.db2.gz MMWZJQICMWXAQQ-UHFFFAOYSA-N 1 0 390.443 4.307 20 0 GIADRO CCO[C@H]1C[C@@]([NH3+])(C(=O)NCC(CC)(CC)c2ccc(Cl)cc2)C1(C)C ZINC000187634439 823102440 /nfs/dbraw/zinc/10/24/40/823102440.db2.gz BWQDKWKYTMFEAT-LAUBAEHRSA-N 1 0 380.960 4.047 20 0 GIADRO COc1ccc(NC(=O)[C@@H]([NH2+]C[C@H]2CCCOC2)c2ccccc2)cc1Cl ZINC000056205927 823102611 /nfs/dbraw/zinc/10/26/11/823102611.db2.gz LTKSFJPFHCFVGH-QRWLVFNGSA-N 1 0 388.895 4.045 20 0 GIADRO CCCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000056207091 823103274 /nfs/dbraw/zinc/10/32/74/823103274.db2.gz HSMLSCFBEQDXNM-HOTGVXAUSA-N 1 0 385.483 4.033 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1)C(=O)NC(C)(C)C ZINC000056207185 823103297 /nfs/dbraw/zinc/10/32/97/823103297.db2.gz UZMDDCFFGULGGT-HUUCEWRRSA-N 1 0 385.483 4.032 20 0 GIADRO COCCC[NH+]1CCC(NC(=O)C2(Sc3ccc(C)cc3)CCCC2)CC1 ZINC000176039705 823103649 /nfs/dbraw/zinc/10/36/49/823103649.db2.gz ITICJVOFVPIVEH-UHFFFAOYSA-N 1 0 390.593 4.017 20 0 GIADRO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1cccc(C(F)(F)F)c1F ZINC000176043316 823104764 /nfs/dbraw/zinc/10/47/64/823104764.db2.gz KABDBQBEXWKFQD-INIZCTEOSA-N 1 0 394.412 4.139 20 0 GIADRO CSc1ccc([C@@H](CNC(=O)N(C)[C@H](C)c2cccs2)[NH+](C)C)cc1 ZINC000458909081 823105124 /nfs/dbraw/zinc/10/51/24/823105124.db2.gz YANUCOUTXADZAN-RHSMWYFYSA-N 1 0 377.579 4.475 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000121029665 823105691 /nfs/dbraw/zinc/10/56/91/823105691.db2.gz QNPDOXPNILBHIF-NRFANRHFSA-N 1 0 391.559 4.019 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)NCC[C@H]1CCc2ccccc21 ZINC000458926263 823107449 /nfs/dbraw/zinc/10/74/49/823107449.db2.gz PIIKNDPNWRDFEV-OAQYLSRUSA-N 1 0 392.547 4.060 20 0 GIADRO O=C(C1CC[NH+](Cc2cnc(-c3cccs3)s2)CC1)N1CCCCCC1 ZINC000121041931 823107643 /nfs/dbraw/zinc/10/76/43/823107643.db2.gz GEYSAGHKFDKVQM-UHFFFAOYSA-N 1 0 389.590 4.486 20 0 GIADRO O=C(CC[NH2+][C@H]1CCOC2(CCC2)C1)Nc1ccc(Oc2ccccc2)cc1 ZINC000570921255 823108035 /nfs/dbraw/zinc/10/80/35/823108035.db2.gz SVKAHBNXWDTTCA-IBGZPJMESA-N 1 0 380.488 4.499 20 0 GIADRO CSCC1CCC(NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)CC1 ZINC000458937016 823108895 /nfs/dbraw/zinc/10/88/95/823108895.db2.gz WVSCHFQXUTYFQV-UHFFFAOYSA-N 1 0 389.609 4.214 20 0 GIADRO CC[C@H]1CCCC[C@H]1CNC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458940825 823109417 /nfs/dbraw/zinc/10/94/17/823109417.db2.gz LPNYKYIRTNCJNI-HOTGVXAUSA-N 1 0 377.495 4.261 20 0 GIADRO CCC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccsc1 ZINC000187670983 823110309 /nfs/dbraw/zinc/11/03/09/823110309.db2.gz YNKMPRKUPHKUCN-LJQANCHMSA-N 1 0 378.563 4.164 20 0 GIADRO CCO[C@H]1C[C@]([NH3+])(C(=O)Nc2nc(-c3ccc4c(c3)CCC4)c(C)s2)C1(C)C ZINC000187681149 823111861 /nfs/dbraw/zinc/11/18/61/823111861.db2.gz NGZDBGCARZJBEE-JTSKRJEESA-N 1 0 399.560 4.078 20 0 GIADRO O=C(C[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000570958872 823111954 /nfs/dbraw/zinc/11/19/54/823111954.db2.gz PYXBWGUXAGVCGO-MLGOLLRUSA-N 1 0 390.833 4.188 20 0 GIADRO CC(C)n1ncc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1C1CC1 ZINC000121069169 823112227 /nfs/dbraw/zinc/11/22/27/823112227.db2.gz SIZDRCQMFPTBFW-UHFFFAOYSA-N 1 0 380.536 4.257 20 0 GIADRO COCCOCc1ccc(C[NH2+][C@H]2CCc3c2cccc3Br)cc1 ZINC000570963224 823112620 /nfs/dbraw/zinc/11/26/20/823112620.db2.gz GUJPKGUDGAFHRV-FQEVSTJZSA-N 1 0 390.321 4.389 20 0 GIADRO CCc1ccccc1NC(=O)[C@@H](C)N(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000570970692 823113510 /nfs/dbraw/zinc/11/35/10/823113510.db2.gz PUFHLMARVAHWBO-MOPGFXCFSA-N 1 0 399.604 4.400 20 0 GIADRO CCOC(=O)N1CCC([C@@H](C)[NH2+][C@@H](C)c2ccc(-n3ccnc3C)cc2)CC1 ZINC000187694382 823114474 /nfs/dbraw/zinc/11/44/74/823114474.db2.gz QHMNFBGKJGJBCZ-DLBZAZTESA-N 1 0 384.524 4.088 20 0 GIADRO O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000570979552 823115018 /nfs/dbraw/zinc/11/50/18/823115018.db2.gz IEOOBZSLLKDGFX-RUZDIDTESA-N 1 0 390.527 4.282 20 0 GIADRO O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CC[C@]2(C1)CCc1ccccc1O2 ZINC000570979554 823115034 /nfs/dbraw/zinc/11/50/34/823115034.db2.gz IEOOBZSLLKDGFX-VWLOTQADSA-N 1 0 390.527 4.282 20 0 GIADRO CC[C@@H](NC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)c1ccncc1 ZINC000176084403 823115409 /nfs/dbraw/zinc/11/54/09/823115409.db2.gz BIIVMFNIQLCMAJ-JOCHJYFZSA-N 1 0 380.536 4.408 20 0 GIADRO COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)CCCS(=O)(=O)c1ccc(F)cc1 ZINC000570980926 823115425 /nfs/dbraw/zinc/11/54/25/823115425.db2.gz UBZAXVXBZBJZKU-NRFANRHFSA-N 1 0 391.508 4.008 20 0 GIADRO CCC[C@@H]([NH2+]Cc1ccccc1CS(=O)(=O)NC(C)C)c1ccsc1 ZINC000187701151 823115926 /nfs/dbraw/zinc/11/59/26/823115926.db2.gz IIDADIMIQZVOMF-LJQANCHMSA-N 1 0 380.579 4.207 20 0 GIADRO COC[C@@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1)C1CCOCC1 ZINC000187703807 823116248 /nfs/dbraw/zinc/11/62/48/823116248.db2.gz UJRQURWKMWFRCE-HSZRJFAPSA-N 1 0 391.515 4.071 20 0 GIADRO CCC[C@H](NC(=O)N1CC[C@H](C[N@H+](C)Cc2scnc2C)C1)C(C)(C)C ZINC000459014794 823116977 /nfs/dbraw/zinc/11/69/77/823116977.db2.gz RMBMECCAFLWPAS-AEFFLSMTSA-N 1 0 380.602 4.130 20 0 GIADRO COC(C)(C)c1nc(C)c(-c2nc(-c3ccc(F)c(C[NH+](C)C)c3)no2)s1 ZINC000571009595 823119473 /nfs/dbraw/zinc/11/94/73/823119473.db2.gz LYALUXQAIHRSIW-UHFFFAOYSA-N 1 0 390.484 4.251 20 0 GIADRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)N1Cc2ccccc2C2(CC2)C1 ZINC000187709846 823117819 /nfs/dbraw/zinc/11/78/19/823117819.db2.gz SWEIOSPNMRSDIV-UHFFFAOYSA-N 1 0 395.572 4.217 20 0 GIADRO c1c(C[NH2+]C[C@@H]2COc3ccccc32)c(-c2cccnc2)nn1-c1ccccc1 ZINC000571000679 823117886 /nfs/dbraw/zinc/11/78/86/823117886.db2.gz IOKXUMZZCXGSEZ-HXUWFJFHSA-N 1 0 382.467 4.200 20 0 GIADRO Cc1ccccc1NC(=O)C[C@H](C)[NH2+]Cc1cc(F)ccc1Br ZINC000121100904 823118520 /nfs/dbraw/zinc/11/85/20/823118520.db2.gz OTYCXZJAXPQVKZ-ZDUSSCGKSA-N 1 0 379.273 4.404 20 0 GIADRO CC[C@H]([NH2+]Cc1cccc(C(N)=O)c1)c1ccc(Br)cc1Cl ZINC000187725804 823120324 /nfs/dbraw/zinc/12/03/24/823120324.db2.gz XGQDEQQREBOFJG-INIZCTEOSA-N 1 0 381.701 4.442 20 0 GIADRO C[NH+](C)C[C@H]1CCN(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)C1 ZINC000187727841 823120698 /nfs/dbraw/zinc/12/06/98/823120698.db2.gz WTEJUJDHNXQWLQ-OAHLLOKOSA-N 1 0 380.517 4.379 20 0 GIADRO C[C@H]1C[C@H](NC(=O)Cc2cccc(C(F)(F)F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000176102634 823121154 /nfs/dbraw/zinc/12/11/54/823121154.db2.gz SIWXLBIOOGAQSZ-OXJNMPFZSA-N 1 0 390.449 4.417 20 0 GIADRO CCC(CC)c1cc(C[NH2+][C@@H](C)CC(=O)Nc2ccc(OC)cc2OC)on1 ZINC000121119350 823121841 /nfs/dbraw/zinc/12/18/41/823121841.db2.gz BDYNJAKNWOWJFW-AWEZNQCLSA-N 1 0 389.496 4.102 20 0 GIADRO C[C@@H]([NH2+]CC1=CCN(C(=O)OC(C)(C)C)CC1)c1ccc2c(c1)OCCCO2 ZINC000187741347 823123312 /nfs/dbraw/zinc/12/33/12/823123312.db2.gz KVFXEMSVEIIFPS-MRXNPFEDSA-N 1 0 388.508 4.066 20 0 GIADRO CC(C)c1noc2ncc(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)cc21 ZINC000176111894 823123945 /nfs/dbraw/zinc/12/39/45/823123945.db2.gz ZZYSOMWOAZYOQN-APWZRJJASA-N 1 0 392.503 4.129 20 0 GIADRO CCOC(=O)Nc1ccc(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)cc1 ZINC000056332456 823129892 /nfs/dbraw/zinc/12/98/92/823129892.db2.gz VSDYZCFNEMBTFD-UHFFFAOYSA-N 1 0 381.476 4.146 20 0 GIADRO CCCN(C(=O)NCc1cnc(C2CC2)o1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000459085751 823125970 /nfs/dbraw/zinc/12/59/70/823125970.db2.gz VVVWKBZAGOVVBP-FQEVSTJZSA-N 1 0 396.535 4.138 20 0 GIADRO Clc1cc(C[NH2+][C@@H]2CCOc3c(Br)cccc32)cc2c1OCO2 ZINC000571055176 823125984 /nfs/dbraw/zinc/12/59/84/823125984.db2.gz XNHUBYWKLNWFSR-CQSZACIVSA-N 1 0 396.668 4.445 20 0 GIADRO O=C(Nc1ccc(Oc2ccc(Cl)cc2)nc1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000571055429 823126048 /nfs/dbraw/zinc/12/60/48/823126048.db2.gz FJVOFRPPURPKPX-HXUWFJFHSA-N 1 0 386.883 4.135 20 0 GIADRO C/C=C\c1ccc(NC(=O)N2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)cc1 ZINC000571056381 823126333 /nfs/dbraw/zinc/12/63/33/823126333.db2.gz MLTAFCRFAPUAGC-IHWYPQMZSA-N 1 0 393.535 4.321 20 0 GIADRO COc1cc([C@@H](C)[NH2+]CCCCCc2ccc(F)cc2)ccc1S(C)(=O)=O ZINC000187759818 823127172 /nfs/dbraw/zinc/12/71/72/823127172.db2.gz GISYYFNZIZQGAK-MRXNPFEDSA-N 1 0 393.524 4.301 20 0 GIADRO CN(C(=O)NC[C@@H]1CCCC(C)(C)C1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000459115573 823130091 /nfs/dbraw/zinc/13/00/91/823130091.db2.gz NGZAOJGCABHGQA-OAHLLOKOSA-N 1 0 377.495 4.261 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)N1C[C@H](c2ccccc2)c2ccccc21 ZINC000459116970 823130108 /nfs/dbraw/zinc/13/01/08/823130108.db2.gz UTAGNUKRUIVJEZ-JOCHJYFZSA-N 1 0 375.516 4.365 20 0 GIADRO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000571078399 823128687 /nfs/dbraw/zinc/12/86/87/823128687.db2.gz LJPLOMBQUGQLHJ-KBXCAEBGSA-N 1 0 377.579 4.197 20 0 GIADRO C[C@@H](Cc1ccc(F)cc1Br)[NH2+][C@@H](CO)c1c(F)cccc1F ZINC000571081609 823129194 /nfs/dbraw/zinc/12/91/94/823129194.db2.gz UNHYYJDVONSACX-QFYYESIMSA-N 1 0 388.227 4.121 20 0 GIADRO CCCc1c(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)[nH]c(C)c1C(C)=O ZINC000056333037 823129740 /nfs/dbraw/zinc/12/97/40/823129740.db2.gz ZQFPFNMPDBCWOL-UHFFFAOYSA-N 1 0 381.520 4.369 20 0 GIADRO O=C(CCC(F)(F)F)N1CCC[C@@H]([NH2+]Cc2csc(Cl)c2Cl)C1 ZINC000571121224 823135510 /nfs/dbraw/zinc/13/55/10/823135510.db2.gz FMEJCVOLQKWALO-SNVBAGLBSA-N 1 0 389.270 4.478 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)CCN1Cc1nnc(-c2ccccc2Cl)o1 ZINC000121179955 823133164 /nfs/dbraw/zinc/13/31/64/823133164.db2.gz VIKMQWIFOJWMFA-INIZCTEOSA-N 1 0 382.895 4.096 20 0 GIADRO C[C@H]1C[C@H](NC(=O)CCc2nc3ccccc3s2)CC[N@@H+]1Cc1ccccc1 ZINC000176137350 823133258 /nfs/dbraw/zinc/13/32/58/823133258.db2.gz HJYIHFJGGQKGHS-PKOBYXMFSA-N 1 0 393.556 4.398 20 0 GIADRO C[NH+](C)CCN(Cc1ccco1)C(=O)c1cnc(-c2ccccc2Cl)s1 ZINC000121192010 823135577 /nfs/dbraw/zinc/13/55/77/823135577.db2.gz SGTQCODWICESIG-UHFFFAOYSA-N 1 0 389.908 4.261 20 0 GIADRO C[C@H](NC(=O)NC[C@H](c1cccs1)[NH+](C)C)c1cccc(N2CCCC2)c1 ZINC000176147162 823135618 /nfs/dbraw/zinc/13/56/18/823135618.db2.gz HUSQAAFOUCAQTG-QFBILLFUSA-N 1 0 386.565 4.011 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)N1CCCC[C@@H]1c1nccs1 ZINC000176142518 823134374 /nfs/dbraw/zinc/13/43/74/823134374.db2.gz UNFPTPIQZKECBN-SJORKVTESA-N 1 0 388.537 4.200 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N1CCCC[C@H]1c1nccs1 ZINC000176142534 823134445 /nfs/dbraw/zinc/13/44/45/823134445.db2.gz UNFPTPIQZKECBN-DLBZAZTESA-N 1 0 388.537 4.200 20 0 GIADRO O=C(N[C@@H]1CC[C@H](c2cccc(Cl)c2)C1)N1CCC([NH+]2CCCC2)CC1 ZINC000459147026 823134958 /nfs/dbraw/zinc/13/49/58/823134958.db2.gz SUDGAEBRPSGKLJ-PKOBYXMFSA-N 1 0 375.944 4.246 20 0 GIADRO O=C(NCCCCC[NH+]1CCCCC1)c1ccccc1NCc1cccnc1 ZINC000176144399 823135036 /nfs/dbraw/zinc/13/50/36/823135036.db2.gz FRVRNSILEJRZIT-UHFFFAOYSA-N 1 0 380.536 4.080 20 0 GIADRO CC[N@H+](CC(=O)Nc1c(C)nn(-c2ccccc2)c1C)[C@@H](C)Cc1ccsc1 ZINC000187798802 823135777 /nfs/dbraw/zinc/13/57/77/823135777.db2.gz NAEAMUHCQBHIGT-INIZCTEOSA-N 1 0 396.560 4.442 20 0 GIADRO CCc1ccc(C[N@@H+]2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)cn1 ZINC000571124062 823136124 /nfs/dbraw/zinc/13/61/24/823136124.db2.gz MLRDHVWEUBAUSP-OAHLLOKOSA-N 1 0 389.425 4.085 20 0 GIADRO CC[N@H+](Cc1nc(-c2ccc(OC)cc2OC)no1)[C@@H](C)Cc1ccsc1 ZINC000187804231 823136913 /nfs/dbraw/zinc/13/69/13/823136913.db2.gz SZCPYFXRTDOHQL-AWEZNQCLSA-N 1 0 387.505 4.268 20 0 GIADRO CC[N@H+](Cc1nc(-c2ccc(OC)cc2OC)no1)[C@H](C)Cc1ccsc1 ZINC000187804253 823136946 /nfs/dbraw/zinc/13/69/46/823136946.db2.gz SZCPYFXRTDOHQL-CQSZACIVSA-N 1 0 387.505 4.268 20 0 GIADRO CN(C(=O)NCC(C)(C)C1=CCCC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000459164868 823137045 /nfs/dbraw/zinc/13/70/45/823137045.db2.gz HVAYGSOGIFAZEL-UHFFFAOYSA-N 1 0 375.479 4.181 20 0 GIADRO CC[N@H+](CCC(=O)N[C@H](c1cccs1)c1ccccc1)CCc1nccs1 ZINC000121205558 823138614 /nfs/dbraw/zinc/13/86/14/823138614.db2.gz PZBJGFBJQGUGBL-NRFANRHFSA-N 1 0 399.585 4.365 20 0 GIADRO Cn1cc(-c2nc([C@H]3CCCCCN3Cc3cccc4ccoc43)no2)cn1 ZINC000571135125 823139082 /nfs/dbraw/zinc/13/90/82/823139082.db2.gz LPAIMZSISLPRSR-GOSISDBHSA-N 1 0 377.448 4.334 20 0 GIADRO CC(C)Cn1cc(C(=O)Nc2cccc3c2OCC[C@@H]3[NH+](C)C)c(C(F)F)n1 ZINC000571135977 823139490 /nfs/dbraw/zinc/13/94/90/823139490.db2.gz HBFZPFUKNYTSHC-INIZCTEOSA-N 1 0 392.450 4.114 20 0 GIADRO O=C(CC[N@@H+]1CCCCC[C@H]1c1ccco1)Nc1ccc(N2CCOCC2)cc1 ZINC000121210875 823139523 /nfs/dbraw/zinc/13/95/23/823139523.db2.gz RXTZOZDJRMVEHR-NRFANRHFSA-N 1 0 397.519 4.062 20 0 GIADRO COc1cccc(C[C@@H]([NH2+]C[C@@H]2CCN(c3ccccc3OC)C2)C2CC2)c1 ZINC000121218180 823140934 /nfs/dbraw/zinc/14/09/34/823140934.db2.gz VJBFMFYOXGUYHZ-SIKLNZKXSA-N 1 0 380.532 4.141 20 0 GIADRO Cc1ccccc1C1(C[NH2+][C@@H](c2ncc[nH]2)c2ccc(F)cc2)CCOCC1 ZINC000187829097 823141560 /nfs/dbraw/zinc/14/15/60/823141560.db2.gz NZGUPBUNSDRBDL-OAQYLSRUSA-N 1 0 379.479 4.285 20 0 GIADRO Cc1cccc([C@H](C)NC(=O)N2CCC[C@H]([N@H+](C)Cc3ccccn3)CC2)c1 ZINC000459214700 823145849 /nfs/dbraw/zinc/14/58/49/823145849.db2.gz NXNDLOOZQDLCIA-UGKGYDQZSA-N 1 0 380.536 4.147 20 0 GIADRO CC1CC[NH+](CCc2cccc(NC(=O)NCc3noc4ccccc34)c2)CC1 ZINC000571175375 823144156 /nfs/dbraw/zinc/14/41/56/823144156.db2.gz GITOZEREYJRMQC-UHFFFAOYSA-N 1 0 392.503 4.424 20 0 GIADRO CCCN(C(=O)N[C@@H](C)c1cncc(F)c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000459207327 823144228 /nfs/dbraw/zinc/14/42/28/823144228.db2.gz XQDYREAFIRTLPV-PGRDOPGGSA-N 1 0 398.526 4.368 20 0 GIADRO Cc1cc(Br)c(C[NH2+][C@H]2CCC[C@H](N3CCCC3=O)C2)cc1Cl ZINC000571179867 823144859 /nfs/dbraw/zinc/14/48/59/823144859.db2.gz XATHGMOHDXMLIL-GJZGRUSLSA-N 1 0 399.760 4.434 20 0 GIADRO CC(C)C[C@H]([NH2+][C@H]1CCCc2cc(S(N)(=O)=O)ccc21)c1cccs1 ZINC000571184903 823145492 /nfs/dbraw/zinc/14/54/92/823145492.db2.gz IXGFQBDKXFBPHL-ROUUACIJSA-N 1 0 378.563 4.150 20 0 GIADRO Cc1cccc([C@@H](C)NC(=O)N2CCC[C@@H]([N@H+](C)Cc3ccccn3)CC2)c1 ZINC000459214697 823145589 /nfs/dbraw/zinc/14/55/89/823145589.db2.gz NXNDLOOZQDLCIA-DENIHFKCSA-N 1 0 380.536 4.147 20 0 GIADRO N#Cc1cccc(COc2cccc(C[NH2+]C[C@@H](O)c3ccccc3F)c2)c1 ZINC000121216433 823140732 /nfs/dbraw/zinc/14/07/32/823140732.db2.gz HTBDECUYPTVECP-HSZRJFAPSA-N 1 0 376.431 4.100 20 0 GIADRO Cc1c(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)oc2c1c(C)ccc2C ZINC000056414059 823146282 /nfs/dbraw/zinc/14/62/82/823146282.db2.gz RMBFMXBQBZBTLZ-UHFFFAOYSA-N 1 0 377.488 4.147 20 0 GIADRO CN(Cc1csc2ccccc12)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000056421719 823147284 /nfs/dbraw/zinc/14/72/84/823147284.db2.gz BIYSIAXWTCPCBL-UHFFFAOYSA-N 1 0 394.544 4.102 20 0 GIADRO C[C@H](c1ccc(F)cc1)N(C)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000056441517 823149757 /nfs/dbraw/zinc/14/97/57/823149757.db2.gz PFMBYXPYXKAFIH-MRXNPFEDSA-N 1 0 387.474 4.332 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)NC[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000176194680 823149970 /nfs/dbraw/zinc/14/99/70/823149970.db2.gz DFVYBFMWLSAVBS-GMAHTHKFSA-N 1 0 377.532 4.096 20 0 GIADRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)Nc2cccc(CSC3CCCC3)c2)C1(C)C ZINC000187874819 823150895 /nfs/dbraw/zinc/15/08/95/823150895.db2.gz DBZFQJOSMVFJOT-WIYYLYMNSA-N 1 0 376.566 4.333 20 0 GIADRO CCCC[C@@H]([NH2+]C[C@H]1CCN(S(=O)(=O)c2cccs2)C1)c1ccccc1 ZINC000571231649 823152413 /nfs/dbraw/zinc/15/24/13/823152413.db2.gz XQHKJCQUVZLGOA-IEBWSBKVSA-N 1 0 392.590 4.280 20 0 GIADRO Cc1cnn(-c2ccc(C)cc2NC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000571236625 823153053 /nfs/dbraw/zinc/15/30/53/823153053.db2.gz HWBYLXKBBCWBEP-MOPGFXCFSA-N 1 0 395.551 4.264 20 0 GIADRO O=C(Nc1cccc(-c2noc(C3CC3)n2)c1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000176222322 823156428 /nfs/dbraw/zinc/15/64/28/823156428.db2.gz SEMAKHQYCZQXBT-FQEVSTJZSA-N 1 0 388.471 4.217 20 0 GIADRO C[N@@H+]1CCC[C@H](CCNC(=O)N(Cc2cccc(-c3cccnc3)c2)C2CC2)C1 ZINC000459267109 823154086 /nfs/dbraw/zinc/15/40/86/823154086.db2.gz QQULZYMTYXDHRP-LJQANCHMSA-N 1 0 392.547 4.155 20 0 GIADRO CC[NH+](CC)CCOC1CCN(C(=O)Nc2ccc(-c3ccccn3)cc2)CC1 ZINC000571250330 823155586 /nfs/dbraw/zinc/15/55/86/823155586.db2.gz YKQRHYUPIJQFDR-UHFFFAOYSA-N 1 0 396.535 4.103 20 0 GIADRO Cc1cc(N2CCCC2)ccc1NC(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000459294249 823157404 /nfs/dbraw/zinc/15/74/04/823157404.db2.gz FHIWTMRCWKRNCT-UHFFFAOYSA-N 1 0 386.565 4.252 20 0 GIADRO C[C@H](C(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1)c1cc2ccccc2o1 ZINC000176227808 823157916 /nfs/dbraw/zinc/15/79/16/823157916.db2.gz HMWPWXGMZXWQFZ-SFHVURJKSA-N 1 0 391.515 4.097 20 0 GIADRO O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1ccc(F)cc1Cl ZINC000056479077 823158073 /nfs/dbraw/zinc/15/80/73/823158073.db2.gz ZBOIRVLLYLUIMA-UHFFFAOYSA-N 1 0 387.886 4.263 20 0 GIADRO COc1ccccc1C[C@@H](C)N(C)C(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000176232310 823158805 /nfs/dbraw/zinc/15/88/05/823158805.db2.gz XPGDOADUQLIJEF-YLJYHZDGSA-N 1 0 399.535 4.006 20 0 GIADRO O=C(c1cccc(Cl)c1)C(C(=S)NCc1ccccc1)[n+]1ccccc1 ZINC000121301674 823159039 /nfs/dbraw/zinc/15/90/39/823159039.db2.gz YSSAINPSVTXWDG-UHFFFAOYSA-O 1 0 381.908 4.356 20 0 GIADRO COc1ccc(Oc2cc(C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCCC4)ccn2)cc1 ZINC000121303508 823159349 /nfs/dbraw/zinc/15/93/49/823159349.db2.gz VZVSDQWISUDILI-NNWRFLSQSA-N 1 0 380.488 4.320 20 0 GIADRO Cc1nc(-c2ccc(Br)cc2Cl)nn1CCC1CC[NH2+]CC1 ZINC000571277061 823159650 /nfs/dbraw/zinc/15/96/50/823159650.db2.gz JDICFKNFVKUTPH-UHFFFAOYSA-N 1 0 383.721 4.059 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)Nc2cn(C)nc2C2CCCCC2)CC1 ZINC000571280404 823159966 /nfs/dbraw/zinc/15/99/66/823159966.db2.gz OQKLBDBFSCRCFE-UHFFFAOYSA-N 1 0 375.561 4.052 20 0 GIADRO COc1ccc(CNC(=O)C2CC[NH+](Cc3ccc(C4CC4)cc3)CC2)cc1 ZINC000459324935 823161726 /nfs/dbraw/zinc/16/17/26/823161726.db2.gz LFHBUUQVQMUXRH-UHFFFAOYSA-N 1 0 378.516 4.101 20 0 GIADRO COc1ccc(CN(C(=O)c2cccc(C[NH+](C)C)c2)[C@@H](C)C2CC2)c(OC)c1 ZINC000571327822 823166051 /nfs/dbraw/zinc/16/60/51/823166051.db2.gz HJOIHBFHDXFRAW-KRWDZBQOSA-N 1 0 396.531 4.206 20 0 GIADRO Cc1csc(SCc2ccccc2C(=O)NCC2([NH+](C)C)CCCC2)n1 ZINC000056529354 823162616 /nfs/dbraw/zinc/16/26/16/823162616.db2.gz UZNZMMAUNBGUPM-UHFFFAOYSA-N 1 0 389.590 4.348 20 0 GIADRO CC[C@@H]1CN(C/C=C\c2ccc(OCc3ccccc3)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000459333283 823162956 /nfs/dbraw/zinc/16/29/56/823162956.db2.gz IISVEANUVPZJMU-QDRDTMDVSA-N 1 0 394.559 4.056 20 0 GIADRO COc1cccc(C(=O)c2ccc(C(=O)Nc3cccc(C[NH+](C)C)c3)cc2)c1 ZINC000187955942 823163682 /nfs/dbraw/zinc/16/36/82/823163682.db2.gz QFUOMLLEYNSYPY-UHFFFAOYSA-N 1 0 388.467 4.240 20 0 GIADRO CCC(CC)n1nc(C)cc1C(=O)N1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000571313666 823163845 /nfs/dbraw/zinc/16/38/45/823163845.db2.gz NPBSOLUFXCTYMF-IRLDBZIGSA-N 1 0 396.579 4.365 20 0 GIADRO CCOc1cc(C[N@@H+]2CC[C@H](CN(CC)CC(F)(F)F)C2)cc(Cl)c1O ZINC000459338495 823164469 /nfs/dbraw/zinc/16/44/69/823164469.db2.gz KMBQQELRHZRNHY-CYBMUJFWSA-N 1 0 394.865 4.150 20 0 GIADRO C[C@@H](Nc1ccccc1C[N@@H+]1CCC[C@H](C(N)=O)C1)c1cc2ccccc2o1 ZINC000459344200 823166365 /nfs/dbraw/zinc/16/63/65/823166365.db2.gz BBRUJKODQFUTBZ-APWZRJJASA-N 1 0 377.488 4.303 20 0 GIADRO O=C1CCCN1c1ccc(N[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000571327208 823165902 /nfs/dbraw/zinc/16/59/02/823165902.db2.gz ROVWNYJFVXLOIA-OAQYLSRUSA-N 1 0 375.516 4.423 20 0 GIADRO CCOc1ccccc1Oc1ccccc1C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000176262128 823166392 /nfs/dbraw/zinc/16/63/92/823166392.db2.gz AUPMTCRLMSUJAP-SFHVURJKSA-N 1 0 380.488 4.188 20 0 GIADRO Cc1csc(Nc2ccc(C(=O)N3CCC[N@@H+](C4CCCC4)CC3)cc2)n1 ZINC000571334840 823166770 /nfs/dbraw/zinc/16/67/70/823166770.db2.gz FIODRIDWLMFGRU-UHFFFAOYSA-N 1 0 384.549 4.286 20 0 GIADRO COc1ccc(OC)c(NC(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c1 ZINC000571336466 823167144 /nfs/dbraw/zinc/16/71/44/823167144.db2.gz IJQBHHRVOMRXCF-IBGZPJMESA-N 1 0 397.519 4.128 20 0 GIADRO CC(C)c1cccc(O[C@@H](C(=O)NCCc2cncn2C)c2ccccc2)c1 ZINC000121350914 823168566 /nfs/dbraw/zinc/16/85/66/823168566.db2.gz PETNDBZTGGIQLV-JOCHJYFZSA-N 1 0 377.488 4.023 20 0 GIADRO Cc1cccc(NC(=O)C[C@H](C)[NH2+]CCc2cnc(SC3CCCC3)nc2)c1 ZINC000571349216 823169113 /nfs/dbraw/zinc/16/91/13/823169113.db2.gz HKDZFXBVXHXGBF-KRWDZBQOSA-N 1 0 398.576 4.369 20 0 GIADRO Brc1cccc(Br)c1OCC[NH2+]C1(C2CC2)CC1 ZINC000571350203 823169171 /nfs/dbraw/zinc/16/91/71/823169171.db2.gz QJBCDBDFCZSDSF-UHFFFAOYSA-N 1 0 375.104 4.123 20 0 GIADRO CCOc1cc(CNc2cccc(OCCC[NH+](C)C)c2)cc(Cl)c1O ZINC000459354159 823169398 /nfs/dbraw/zinc/16/93/98/823169398.db2.gz OKEMSCMNCRYYCI-UHFFFAOYSA-N 1 0 378.900 4.387 20 0 GIADRO Cc1cc(C)c(NC(=O)[C@H](C)[NH2+][C@@H]2CCN(C)[C@@H]2c2ccccc2)c(Cl)c1 ZINC000571365691 823171881 /nfs/dbraw/zinc/17/18/81/823171881.db2.gz RBKCPZUBUDOIRO-LDQXTDLNSA-N 1 0 385.939 4.319 20 0 GIADRO C[C@H]1CN(c2ccccc2CNc2ccccc2C[NH+]2CCSCC2)CCO1 ZINC000459361849 823171910 /nfs/dbraw/zinc/17/19/10/823171910.db2.gz WRULDHNLJJFEQW-IBGZPJMESA-N 1 0 397.588 4.073 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCc2c1cc(F)cc2F)c1cc(F)ccc1N1CCC(O)CC1 ZINC000121360511 823170295 /nfs/dbraw/zinc/17/02/95/823170295.db2.gz HHPMPPBOCPHSOC-ASSNKEHSSA-N 1 0 390.449 4.403 20 0 GIADRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCC2(Sc3ccc(C)cc3)CCCC2)C1(C)C ZINC000188005501 823170717 /nfs/dbraw/zinc/17/07/17/823170717.db2.gz XUOWUGGUNNNOQO-XMSQKQJNSA-N 1 0 390.593 4.049 20 0 GIADRO CC[N@H+](Cc1c(C)nc2scc(C3CC3)n12)Cc1ccc(C(=O)N(C)C)cc1 ZINC000459344087 823166470 /nfs/dbraw/zinc/16/64/70/823166470.db2.gz UHFUJUHVQKEZKB-UHFFFAOYSA-N 1 0 396.560 4.306 20 0 GIADRO CCO[C@H](C)c1nc(CN2CC[NH+](CC3CCC(F)(F)CC3)CC2)cs1 ZINC000459362673 823172302 /nfs/dbraw/zinc/17/23/02/823172302.db2.gz UBWYIPGWFSYODQ-OAHLLOKOSA-N 1 0 387.540 4.184 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)N(Cc2ccco2)C[C@@H]2CCCO2)cc1 ZINC000056577733 823173882 /nfs/dbraw/zinc/17/38/82/823173882.db2.gz AIFFGUMMXBKNLX-QFIPXVFZSA-N 1 0 399.535 4.012 20 0 GIADRO Oc1cccc(CN[C@@H](C[NH+]2CCCC2)c2ccccc2)c1Br ZINC000459369495 823174490 /nfs/dbraw/zinc/17/44/90/823174490.db2.gz OGLGLUIKKYNNIF-KRWDZBQOSA-N 1 0 375.310 4.081 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cccc(NC(=O)c3ccccc3)c2)[C@H]1SC ZINC000459378261 823177321 /nfs/dbraw/zinc/17/73/21/823177321.db2.gz QIBOVOKZIZWFKE-CGRMTHRGSA-N 1 0 384.545 4.499 20 0 GIADRO COc1ccc(OCC[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)cc1 ZINC000459372935 823175396 /nfs/dbraw/zinc/17/53/96/823175396.db2.gz IAMSXDZWUJWPPN-UHFFFAOYSA-N 1 0 392.503 4.237 20 0 GIADRO CCCCNC(=O)c1ccc(C[NH2+]Cc2cc(Cl)c(O)c(OCC)c2)cc1 ZINC000459373176 823175419 /nfs/dbraw/zinc/17/54/19/823175419.db2.gz JVVFOKBVZNXGJU-UHFFFAOYSA-N 1 0 390.911 4.264 20 0 GIADRO OCCC1(C[NH2+][C@H](c2ccccc2)c2ccc(Br)cc2F)CC1 ZINC000188045310 823176717 /nfs/dbraw/zinc/17/67/17/823176717.db2.gz BRNDRZXIQVIYMT-GOSISDBHSA-N 1 0 378.285 4.430 20 0 GIADRO CCc1c(C)[nH+]c2ccccc2c1N[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1 ZINC000571409839 823178776 /nfs/dbraw/zinc/17/87/76/823178776.db2.gz QYVFPHPBCJBJDA-OAHLLOKOSA-N 1 0 393.453 4.273 20 0 GIADRO C[C@@H](C[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1)N1CCCC[C@H]1C ZINC000459384220 823179201 /nfs/dbraw/zinc/17/92/01/823179201.db2.gz YVJBENAPPVHVSA-MOPGFXCFSA-N 1 0 381.568 4.413 20 0 GIADRO Cc1cccc([C@H](C)CNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)c1 ZINC000176312066 823179386 /nfs/dbraw/zinc/17/93/86/823179386.db2.gz RGDDYDLQZAYBHB-HXUWFJFHSA-N 1 0 379.548 4.405 20 0 GIADRO O=C(NCCC1=CC[NH2+]CC1)Nc1ccc(Br)c(Cl)c1Cl ZINC000571415058 823179764 /nfs/dbraw/zinc/17/97/64/823179764.db2.gz CIWABIRWLPQGBV-UHFFFAOYSA-N 1 0 393.112 4.187 20 0 GIADRO C[C@@H]([NH2+]C1(CN[C@H]2CCc3c2cc(F)cc3F)CCOCC1)c1ccccc1 ZINC000121411861 823179882 /nfs/dbraw/zinc/17/98/82/823179882.db2.gz CHSMUSLYGNOQLE-ZHRRBRCNSA-N 1 0 386.486 4.442 20 0 GIADRO CCOc1ccccc1Oc1ccc(C[NH2+][C@@H]2C[C@@H](OCC)[C@@H]2SC)cn1 ZINC000459388241 823180620 /nfs/dbraw/zinc/18/06/20/823180620.db2.gz KLDJMPCYVKMOEB-OZOXKJRCSA-N 1 0 388.533 4.271 20 0 GIADRO CC1CC[NH+]([C@@H](CNC(=O)[C@H]2CCC(=O)c3ccccc32)c2ccccc2)CC1 ZINC000571422852 823180718 /nfs/dbraw/zinc/18/07/18/823180718.db2.gz UIOXHZNCUHKIEL-GOTSBHOMSA-N 1 0 390.527 4.336 20 0 GIADRO C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000121432039 823183523 /nfs/dbraw/zinc/18/35/23/823183523.db2.gz LWYGBYYYVJRCDK-RWMBFGLXSA-N 1 0 392.849 4.217 20 0 GIADRO FC(F)(F)c1cccc(C2(C[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCC4)CCOCC2)c1 ZINC000121419178 823181227 /nfs/dbraw/zinc/18/12/27/823181227.db2.gz NZSCWHATFOACHH-QRVBRYPASA-N 1 0 395.465 4.301 20 0 GIADRO O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)N1CCC[C@H]1c1ccccn1 ZINC000056623505 823183998 /nfs/dbraw/zinc/18/39/98/823183998.db2.gz QMXDCNCNMJSKRR-LEWJYISDSA-N 1 0 398.938 4.419 20 0 GIADRO C[N@H+](Cc1cc(=O)[nH]c(-c2ccccc2)n1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000459402859 823185289 /nfs/dbraw/zinc/18/52/89/823185289.db2.gz NVDMDQIUFYXBEA-NHCUHLMSSA-N 1 0 393.462 4.340 20 0 GIADRO C[C@@H](Cc1cccc(O)c1)[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459404842 823185460 /nfs/dbraw/zinc/18/54/60/823185460.db2.gz JOXYIUIPVQOCIA-KRWDZBQOSA-N 1 0 376.504 4.487 20 0 GIADRO COc1ccc(OC)c(NC(=O)[C@H](C)[N@@H+]2C[C@H](c3ccc(F)cc3)C[C@H]2C)c1 ZINC000121447960 823186339 /nfs/dbraw/zinc/18/63/39/823186339.db2.gz JPCDLECMMZATJL-HLLBOEOZSA-N 1 0 386.467 4.048 20 0 GIADRO CC(C)C[C@H](CNC(=O)c1ncoc1-c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000571479695 823188944 /nfs/dbraw/zinc/18/89/44/823188944.db2.gz RAZLJXYDVBOJHN-OAHLLOKOSA-N 1 0 383.414 4.067 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)N(CCC(F)(F)F)CC1CC1 ZINC000176344640 823188207 /nfs/dbraw/zinc/18/82/07/823188207.db2.gz AGOOORXEWVUSIM-INIZCTEOSA-N 1 0 387.446 4.181 20 0 GIADRO CCOc1cc(C[NH2+][C@H](C)[C@H]2COc3ccccc32)cc(Br)c1O ZINC000459428542 823190261 /nfs/dbraw/zinc/19/02/61/823190261.db2.gz BESVIRQYCYGGFJ-IUODEOHRSA-N 1 0 392.293 4.208 20 0 GIADRO COc1cccc([C@@H](NC2CC[NH+](C3CC3)CC2)c2cc(F)ccc2OC)c1 ZINC000459430300 823190790 /nfs/dbraw/zinc/19/07/90/823190790.db2.gz QHDWCCINCYGTMC-HSZRJFAPSA-N 1 0 384.495 4.149 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)N[C@@H]1CCc2sc(Cl)cc21 ZINC000571490335 823191228 /nfs/dbraw/zinc/19/12/28/823191228.db2.gz WLKMFZUXIWQNAN-QGZVFWFLSA-N 1 0 389.952 4.484 20 0 GIADRO CCOc1cc(C[NH2+]C[C@H]2CCCO[C@@H]2C(C)C)cc(Br)c1O ZINC000459436728 823191861 /nfs/dbraw/zinc/19/18/61/823191861.db2.gz ZETXDTKRAASJRD-RDTXWAMCSA-N 1 0 386.330 4.094 20 0 GIADRO CCc1cnc(CC[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)s1 ZINC000459436603 823191937 /nfs/dbraw/zinc/19/19/37/823191937.db2.gz YOPVZEWYVYXZSG-UHFFFAOYSA-N 1 0 381.549 4.411 20 0 GIADRO C[C@H](CNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)Sc1ccccc1 ZINC000176371207 823193082 /nfs/dbraw/zinc/19/30/82/823193082.db2.gz OXEJVAATGPXCLG-LJQANCHMSA-N 1 0 397.588 4.473 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+][C@@H](CCO)c2ccc(OC)cc2)[C@H]1Sc1ccccc1 ZINC000459446365 823193936 /nfs/dbraw/zinc/19/39/36/823193936.db2.gz FGQVFGXIJVSTLP-FNAHDJPLSA-N 1 0 387.545 4.047 20 0 GIADRO COCc1cc(CNC[C@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)no1 ZINC000459449259 823194274 /nfs/dbraw/zinc/19/42/74/823194274.db2.gz TYJMRBIKTNTMPT-BEFAXECRSA-N 1 0 397.441 4.013 20 0 GIADRO CCN(Cc1cccs1)C(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000188150314 823194321 /nfs/dbraw/zinc/19/43/21/823194321.db2.gz ZORHZHCYYCCMLG-FQEVSTJZSA-N 1 0 387.549 4.125 20 0 GIADRO CC[NH+]1C[C@H](C)N(Cc2csc(N(C(C)=O)c3ccc(C)cc3)n2)[C@@H](C)C1 ZINC000459451485 823194515 /nfs/dbraw/zinc/19/45/15/823194515.db2.gz AWEXMMFTIWJHMK-IRXDYDNUSA-N 1 0 386.565 4.051 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Nc1cc(NC(C)=O)ccc1Cl)CC(C)C ZINC000056692798 823194731 /nfs/dbraw/zinc/19/47/31/823194731.db2.gz RQHSMORERMZTOB-INIZCTEOSA-N 1 0 382.936 4.176 20 0 GIADRO CC(C)[C@@H](C[NH2+]C[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1)c1cccnc1 ZINC000571516371 823194890 /nfs/dbraw/zinc/19/48/90/823194890.db2.gz MKPLYPMQNSOKSF-ORYQWCPZSA-N 1 0 376.928 4.203 20 0 GIADRO CCO[C@@H]1C[C@]([NH3+])(C(=O)NCc2sc3ccc(Cl)cc3c2C)C1(C)C ZINC000571520742 823195244 /nfs/dbraw/zinc/19/52/44/823195244.db2.gz YRFJREBTRIIITJ-APWZRJJASA-N 1 0 380.941 4.012 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)Cc2cc(-c3ccccc3)on2)CC1 ZINC000121505093 823196251 /nfs/dbraw/zinc/19/62/51/823196251.db2.gz VCGPFCZQXIITCV-GOSISDBHSA-N 1 0 389.499 4.226 20 0 GIADRO CCOc1cc(C[NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)cc(Br)c1O ZINC000459460271 823196410 /nfs/dbraw/zinc/19/64/10/823196410.db2.gz SINXHVBIVBJUQN-CJNGLKHVSA-N 1 0 386.330 4.237 20 0 GIADRO CC[C@H](C)n1c2ccc(NC(=O)N[C@H]3CC[C@@H](C[NH3+])C3)cc2nc1C(F)(F)F ZINC000571533466 823197098 /nfs/dbraw/zinc/19/70/98/823197098.db2.gz KXIAWQGGGZDFCB-XQQFMLRXSA-N 1 0 397.445 4.275 20 0 GIADRO C[C@H]1C[NH+](CCC2CCN(C(=O)Nc3ccccc3Cl)CC2)C[C@H](C)O1 ZINC000176393178 823197381 /nfs/dbraw/zinc/19/73/81/823197381.db2.gz QIGYQTXLKCPJNA-HOTGVXAUSA-N 1 0 379.932 4.083 20 0 GIADRO COc1ccc(-c2ccccc2C)cc1C[NH2+][C@H](C)C(=O)NCc1ccco1 ZINC000459463297 823197390 /nfs/dbraw/zinc/19/73/90/823197390.db2.gz KUEKDYQZDPYFED-QGZVFWFLSA-N 1 0 378.472 4.058 20 0 GIADRO Oc1cccc(C[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)cc2)c1Br ZINC000459466058 823198333 /nfs/dbraw/zinc/19/83/33/823198333.db2.gz OOFVRYKADVFLFE-YOEHRIQHSA-N 1 0 382.685 4.428 20 0 GIADRO Cc1cccc(C)c1NC(=O)C[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000571545049 823198649 /nfs/dbraw/zinc/19/86/49/823198649.db2.gz PFVNIFZRZYVBLC-NQIIRXRSSA-N 1 0 389.902 4.069 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1C[NH2+]Cc1ccccc1-c1cnn(C)c1 ZINC000459473287 823199554 /nfs/dbraw/zinc/19/95/54/823199554.db2.gz WIEQWDWOUKAUAJ-UHFFFAOYSA-N 1 0 377.517 4.272 20 0 GIADRO CC(C)N1CC[C@@H]([NH2+]Cc2cnc(C3CC3)nc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000459474697 823200094 /nfs/dbraw/zinc/20/00/94/823200094.db2.gz VSIKUIAFXIGULE-WOJBJXKFSA-N 1 0 388.918 4.460 20 0 GIADRO O=C(c1ccncc1)N1CCC([NH2+][C@H]2CCC[C@H]2Cc2ccc(Cl)cc2)CC1 ZINC000459475396 823200196 /nfs/dbraw/zinc/20/01/96/823200196.db2.gz ZWIKWHZAGLLNHS-UGKGYDQZSA-N 1 0 397.950 4.341 20 0 GIADRO CC(C)C[C@H]([NH3+])c1noc(CCCCOc2ccc(Br)cc2)n1 ZINC000571559941 823200360 /nfs/dbraw/zinc/20/03/60/823200360.db2.gz AFFAGRLQMRKXMB-HNNXBMFYSA-N 1 0 382.302 4.280 20 0 GIADRO Cn1cncc1CC[N@H+](Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 ZINC000459483086 823201994 /nfs/dbraw/zinc/20/19/94/823201994.db2.gz RJJXOTBUIGVHKZ-UHFFFAOYSA-N 1 0 375.303 4.367 20 0 GIADRO Oc1cccc(C[NH2+]C[C@@H]2CCCO[C@@H]2c2ccccc2)c1Br ZINC000459483154 823202100 /nfs/dbraw/zinc/20/21/00/823202100.db2.gz YNHKYJOKYJLFNJ-QFBILLFUSA-N 1 0 376.294 4.412 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1C[N@@H+]1CC[C@H](n2cnc3c2CCCC3)C1 ZINC000459488781 823202888 /nfs/dbraw/zinc/20/28/88/823202888.db2.gz JLUKLYAVUODRGN-INIZCTEOSA-N 1 0 381.549 4.104 20 0 GIADRO CCOc1cc(C[NH2+]C(C)(C)c2ccc(C)nc2)cc(Br)c1O ZINC000459488030 823202979 /nfs/dbraw/zinc/20/29/79/823202979.db2.gz ROYKNUFMXUVTLN-UHFFFAOYSA-N 1 0 379.298 4.282 20 0 GIADRO FC(F)(F)c1nnc(N2CCC[N@H+](Cc3ccc(C4CC4)cc3)CC2)s1 ZINC000459489566 823203134 /nfs/dbraw/zinc/20/31/34/823203134.db2.gz AVVDNOVAWXMCLZ-UHFFFAOYSA-N 1 0 382.455 4.147 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)Nc2cn(C)nc2C2CC2)C1 ZINC000571583304 823203663 /nfs/dbraw/zinc/20/36/63/823203663.db2.gz JQAPCVTVMCNJFR-CALCHBBNSA-N 1 0 395.551 4.097 20 0 GIADRO CCCCOc1ccccc1NC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000056750133 823206638 /nfs/dbraw/zinc/20/66/38/823206638.db2.gz BFPKZJSXWHTDRZ-UHFFFAOYSA-N 1 0 382.508 4.047 20 0 GIADRO CCCCn1ncc(NC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)c1C ZINC000571583656 823204044 /nfs/dbraw/zinc/20/40/44/823204044.db2.gz VUYADLBDMHRHKL-SFHVURJKSA-N 1 0 377.920 4.069 20 0 GIADRO CCS[C@@H]1CCC[C@@H](NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)C1 ZINC000176417661 823204042 /nfs/dbraw/zinc/20/40/42/823204042.db2.gz RTXHPVMMQOMTPD-TZIWHRDSSA-N 1 0 389.609 4.357 20 0 GIADRO Cc1nc(-c2cccc(NC(=O)N[C@H](Cc3ccccc3)C[NH+](C)C)c2)oc1C ZINC000056739449 823204140 /nfs/dbraw/zinc/20/41/40/823204140.db2.gz IZSPXPPTIOJGIM-OAQYLSRUSA-N 1 0 392.503 4.253 20 0 GIADRO Cc1c([C@H](C)[NH2+]C[C@@H](C[C@@H](C)O)c2ccccc2)nnn1-c1ccc(Cl)cc1 ZINC000121564493 823206676 /nfs/dbraw/zinc/20/66/76/823206676.db2.gz UMCQNFFTFLTFOO-JTDSTZFVSA-N 1 0 398.938 4.434 20 0 GIADRO COC(=O)c1ccc(C[NH+]2CCC3(CC2)OCCc2ccccc23)cc1Cl ZINC000459499182 823205038 /nfs/dbraw/zinc/20/50/38/823205038.db2.gz WGJIKWOOVIOYKT-UHFFFAOYSA-N 1 0 385.891 4.191 20 0 GIADRO O=C(CCCc1ccc(F)c(F)c1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000176428221 823205917 /nfs/dbraw/zinc/20/59/17/823205917.db2.gz MWWKQFMADVIAFE-UHFFFAOYSA-N 1 0 386.486 4.111 20 0 GIADRO C(=C/c1ccc(OCc2ccccc2)cc1)\C[NH+]1CCC(Cn2cncn2)CC1 ZINC000459503387 823205973 /nfs/dbraw/zinc/20/59/73/823205973.db2.gz PTUSAONDNJMVCY-QPJJXVBHSA-N 1 0 388.515 4.283 20 0 GIADRO C[N@H+](CC(=O)N1CCC[C@@H](C(F)(F)F)C1)C1c2ccccc2-c2ccccc21 ZINC000176434437 823207081 /nfs/dbraw/zinc/20/70/81/823207081.db2.gz USDNZUFCBMFGIH-OAHLLOKOSA-N 1 0 388.433 4.489 20 0 GIADRO CC[NH+](CC)CCCSc1nnc(-c2cccnc2)n1Cc1ccccc1 ZINC000188235611 823207403 /nfs/dbraw/zinc/20/74/03/823207403.db2.gz BGMOVNWNRCAXRR-UHFFFAOYSA-N 1 0 381.549 4.212 20 0 GIADRO C[C@@H]1CN(C/C=C/c2ccc(OCc3ccccc3)cc2)CC[N@@H+]1CC(C)(C)O ZINC000459509757 823207530 /nfs/dbraw/zinc/20/75/30/823207530.db2.gz LKZSWRPIVSCBKU-TYOLEZHBSA-N 1 0 394.559 4.056 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1C[N@H+]1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC000459509967 823207780 /nfs/dbraw/zinc/20/77/80/823207780.db2.gz LEHHOIDHFSMWQX-KRWDZBQOSA-N 1 0 394.544 4.067 20 0 GIADRO O=C(CC(F)(F)F)Nc1ccc(NC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000459528346 823212183 /nfs/dbraw/zinc/21/21/83/823212183.db2.gz BVBPFLUGNPZKAD-UHFFFAOYSA-N 1 0 378.398 4.053 20 0 GIADRO COc1cccc(COC[C@H](O)C[N@@H+]2CCC[C@@H]2c2nc3ccccc3s2)c1 ZINC000121575545 823209076 /nfs/dbraw/zinc/20/90/76/823209076.db2.gz FIJXQDKWLKZJBQ-YLJYHZDGSA-N 1 0 398.528 4.020 20 0 GIADRO COCc1cccc(CNC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)c1 ZINC000056764105 823209098 /nfs/dbraw/zinc/20/90/98/823209098.db2.gz CRVTZXRNCCDLDB-UHFFFAOYSA-N 1 0 381.520 4.183 20 0 GIADRO O[C@@H](C[NH2+]C[C@H](c1cccs1)N1CCCC1)Cc1ccc2ccccc2c1 ZINC000571630887 823212329 /nfs/dbraw/zinc/21/23/29/823212329.db2.gz IFOXRMSQVORDCZ-FGZHOGPDSA-N 1 0 380.557 4.231 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)NC(=O)NCCCC[NH+]2CCC(C)CC2)cc1 ZINC000121578536 823209826 /nfs/dbraw/zinc/20/98/26/823209826.db2.gz SJODQKSTPIJOBZ-LJQANCHMSA-N 1 0 397.567 4.053 20 0 GIADRO CCCCn1ncc(NC(=O)N(CC[NH+](C)C)Cc2ccsc2)c1C(C)C ZINC000459518315 823209841 /nfs/dbraw/zinc/20/98/41/823209841.db2.gz SWIALAKWDQEKDP-UHFFFAOYSA-N 1 0 391.585 4.464 20 0 GIADRO Cc1c(F)cccc1NC(=O)CC[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000459519349 823209866 /nfs/dbraw/zinc/20/98/66/823209866.db2.gz JQDYIWQDDDZDEM-UHFFFAOYSA-N 1 0 382.479 4.027 20 0 GIADRO FC(F)CN1CCSc2ccc(NC3CCN(c4cc[nH+]cc4)CC3)cc21 ZINC000459518975 823209868 /nfs/dbraw/zinc/20/98/68/823209868.db2.gz HBYRSJOPBBNUJI-UHFFFAOYSA-N 1 0 390.503 4.340 20 0 GIADRO Cc1ccc(NC(=O)N2CCC([NH+]3CCCCC3)CC2)c(OCC(F)(F)F)c1 ZINC000056771774 823210721 /nfs/dbraw/zinc/21/07/21/823210721.db2.gz ZNAMFJZJRHLYGD-UHFFFAOYSA-N 1 0 399.457 4.418 20 0 GIADRO O=C(N[C@@H](c1cccc2ccccc21)C(F)(F)F)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000571623701 823210847 /nfs/dbraw/zinc/21/08/47/823210847.db2.gz JJOBGEYRIPMZED-NNFUDEMPSA-N 1 0 391.437 4.131 20 0 GIADRO CCCCCn1cc(C[NH2+]Cc2cccc(I)c2)c(C)n1 ZINC000571627818 823211680 /nfs/dbraw/zinc/21/16/80/823211680.db2.gz PZROXHYCHJPLNO-UHFFFAOYSA-N 1 0 397.304 4.276 20 0 GIADRO CSc1ccc(NC(=O)[C@@H](C)[NH+]2CCC3(CC2)OCCc2ccccc23)cc1 ZINC000459526702 823211676 /nfs/dbraw/zinc/21/16/76/823211676.db2.gz PHQKQPKJQCXSBK-QGZVFWFLSA-N 1 0 396.556 4.300 20 0 GIADRO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000459532562 823213400 /nfs/dbraw/zinc/21/34/00/823213400.db2.gz UKCGCUFQYBLTRI-VQTJNVASSA-N 1 0 392.543 4.125 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)Nc2cc(F)c(Br)cc2F)cc1 ZINC000121623832 823217945 /nfs/dbraw/zinc/21/79/45/823217945.db2.gz JWEKJZZNAGYFCK-UHFFFAOYSA-N 1 0 398.251 4.111 20 0 GIADRO O=C(Nc1ccc(-c2csnn2)cc1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000056788805 823213911 /nfs/dbraw/zinc/21/39/11/823213911.db2.gz GLRDPJSEUQPYNW-UHFFFAOYSA-N 1 0 399.564 4.325 20 0 GIADRO C[C@@H]([NH2+]C1CCN(Cc2coc(-c3ccccc3)n2)CC1)c1cccc(CO)c1 ZINC000121601836 823214303 /nfs/dbraw/zinc/21/43/03/823214303.db2.gz BNAYFTKLAIYUNR-GOSISDBHSA-N 1 0 391.515 4.149 20 0 GIADRO Cc1ccccc1[C@@H](OC[C@@H](O)C[N@H+](C)CCc1ccccn1)c1ccccc1 ZINC000121625889 823218446 /nfs/dbraw/zinc/21/84/46/823218446.db2.gz CUEUOMSUVNGRIC-ZCYQVOJMSA-N 1 0 390.527 4.031 20 0 GIADRO c1c(C[NH+]2CCC([C@H]3CCCO3)CC2)c(-c2cccnc2)nn1-c1ccccc1 ZINC000188286254 823214496 /nfs/dbraw/zinc/21/44/96/823214496.db2.gz QDPAGUISAJVCEL-HSZRJFAPSA-N 1 0 388.515 4.325 20 0 GIADRO Cc1ccc(C[NH2+]C[C@@H]2CCN(c3ccc(F)cc3)C2)c(-c2ccnn2C)c1 ZINC000571659008 823215464 /nfs/dbraw/zinc/21/54/64/823215464.db2.gz AHKFGDYAWDJFKL-SFHVURJKSA-N 1 0 378.495 4.151 20 0 GIADRO OCC1([C@H]([NH2+]Cc2ccc(OCC(F)(F)F)nc2)c2ccccc2)CCCC1 ZINC000459539582 823215627 /nfs/dbraw/zinc/21/56/27/823215627.db2.gz WGVGTEVYZDVDBS-LJQANCHMSA-N 1 0 394.437 4.406 20 0 GIADRO COc1cc(C[NH+]2CCC(OCCC(C)C)CC2)ccc1OC(=O)C1CC1 ZINC000121613997 823216145 /nfs/dbraw/zinc/21/61/45/823216145.db2.gz QHSTUJVOKOZQCZ-UHFFFAOYSA-N 1 0 375.509 4.038 20 0 GIADRO c1cc(-c2nc3ccccc3s2)oc1C[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000571665633 823216413 /nfs/dbraw/zinc/21/64/13/823216413.db2.gz STOXAADTHFEOBM-QGZVFWFLSA-N 1 0 384.501 4.326 20 0 GIADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc(-c3nncs3)cc2)C1 ZINC000459543363 823216368 /nfs/dbraw/zinc/21/63/68/823216368.db2.gz LRMZBZKPUAZANU-OAHLLOKOSA-N 1 0 387.553 4.227 20 0 GIADRO COC1(C[NH2+][C@H](c2ccccc2)c2ccc(Br)cc2)CCOCC1 ZINC000188315763 823218505 /nfs/dbraw/zinc/21/85/05/823218505.db2.gz WPOUGDHSAVJQSC-LJQANCHMSA-N 1 0 390.321 4.324 20 0 GIADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459547946 823217575 /nfs/dbraw/zinc/21/75/75/823217575.db2.gz PNFGNCQMPAHXNQ-RXVVDRJESA-N 1 0 379.552 4.119 20 0 GIADRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]CCc1nnc(-c2ccccc2)o1 ZINC000188316407 823218475 /nfs/dbraw/zinc/21/84/75/823218475.db2.gz FHBIKOLJBDJEKL-AWEZNQCLSA-N 1 0 386.293 4.262 20 0 GIADRO Cc1cccn2c(=O)cc(C[NH2+][C@H](C)c3ccc(Oc4cccnc4)cc3)nc12 ZINC000571679526 823217791 /nfs/dbraw/zinc/21/77/91/823217791.db2.gz RXVXAGJYRBLISN-QGZVFWFLSA-N 1 0 386.455 4.041 20 0 GIADRO COc1ccc([C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)C2CC2)cc1 ZINC000056827018 823219510 /nfs/dbraw/zinc/21/95/10/823219510.db2.gz UDCXEVPSYUIWNV-QFIPXVFZSA-N 1 0 399.510 4.059 20 0 GIADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CCC(OCc2ccccc2)CC1 ZINC000176489878 823219661 /nfs/dbraw/zinc/21/96/61/823219661.db2.gz CDRRQKNMDRKMKH-UHFFFAOYSA-N 1 0 399.579 4.174 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1C[NH2+]C[C@H](CO)c1ccccc1Cl ZINC000459557093 823219739 /nfs/dbraw/zinc/21/97/39/823219739.db2.gz GQRWFWRLXUSVCY-CQSZACIVSA-N 1 0 375.925 4.101 20 0 GIADRO C[C@@H]1CN(c2ccccc2C[NH2+]C[C@@H](Cc2ccccc2)C(F)(F)F)CCO1 ZINC000459556065 823219875 /nfs/dbraw/zinc/21/98/75/823219875.db2.gz AVKDWWVHYAUKKR-YLJYHZDGSA-N 1 0 392.465 4.423 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@H](c3cccnc3)C2)[C@H]1Sc1ccccc1 ZINC000459573525 823222993 /nfs/dbraw/zinc/22/29/93/823222993.db2.gz RCGFFVKWIFVTTD-WHCFWRGISA-N 1 0 384.545 4.230 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@@H](C)c2ccc(OCc3nccn3C)cc2)c1 ZINC000121636893 823220268 /nfs/dbraw/zinc/22/02/68/823220268.db2.gz BPXURVJQPVOAQG-DLBZAZTESA-N 1 0 392.503 4.369 20 0 GIADRO Brc1ccc(C[N@@H+]2CC3(CCC3)[C@H]2C2CC2)c(N2CCOCC2)c1 ZINC000571697106 823220583 /nfs/dbraw/zinc/22/05/83/823220583.db2.gz PSXCFZSRUIHETD-LJQANCHMSA-N 1 0 391.353 4.050 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1C[NH2+]C[C@@H]1CCN(c2ccccc2F)C1 ZINC000459564950 823221483 /nfs/dbraw/zinc/22/14/83/823221483.db2.gz WVCMYEOILMVFSP-HNNXBMFYSA-N 1 0 384.524 4.337 20 0 GIADRO COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000188346957 823223242 /nfs/dbraw/zinc/22/32/42/823223242.db2.gz XRIRBAJLAMJYRH-CTNGQTDRSA-N 1 0 380.488 4.042 20 0 GIADRO COc1ccccc1[C@@H]1CCCN1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176499383 823222357 /nfs/dbraw/zinc/22/23/57/823222357.db2.gz GQNBHNHFDPLTSP-NRFANRHFSA-N 1 0 385.552 4.339 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)[C@H]1Sc1ccccc1 ZINC000459570957 823222576 /nfs/dbraw/zinc/22/25/76/823222576.db2.gz NHQOIQICWMFWFQ-WHCFWRGISA-N 1 0 384.545 4.230 20 0 GIADRO CCOc1cc(C[NH2+]CC(C)(C)c2ccccn2)cc(Br)c1O ZINC000459570068 823222636 /nfs/dbraw/zinc/22/26/36/823222636.db2.gz NHJFAGDQJULBBC-UHFFFAOYSA-N 1 0 379.298 4.016 20 0 GIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cnc3onc(C(C)(C)C)c3c2)C1 ZINC000409453928 823222675 /nfs/dbraw/zinc/22/26/75/823222675.db2.gz BRZNHOATPOVSNL-YJBOKZPZSA-N 1 0 392.503 4.086 20 0 GIADRO Cc1n[nH]c(C)c1[C@H]1CCCCC[N@H+]1Cc1ccccc1N1CCO[C@@H](C)C1 ZINC000459552492 823218864 /nfs/dbraw/zinc/21/88/64/823218864.db2.gz ULBGLJDUDZFNEL-HTAPYJJXSA-N 1 0 382.552 4.369 20 0 GIADRO Cc1nc(CN2C[C@@H](F)C[C@H]2C[NH2+][C@@H](C)CCc2ccc(F)cc2F)cs1 ZINC000571687018 823218928 /nfs/dbraw/zinc/21/89/28/823218928.db2.gz MTBIYDOTTMPQGC-IXDGSTSKSA-N 1 0 397.510 4.253 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C(C)(C)Cc1nc2ccccc2[nH]1 ZINC000409457946 823223575 /nfs/dbraw/zinc/22/35/75/823223575.db2.gz QKTIFIYQSWBPKP-UHFFFAOYSA-N 1 0 392.547 4.288 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)[C@]2(C)CCCN2C(=O)c2ccccc2)cc1 ZINC000188347845 823223613 /nfs/dbraw/zinc/22/36/13/823223613.db2.gz HMXDWKRCZXCNPA-DEOSSOPVSA-N 1 0 393.531 4.162 20 0 GIADRO C[NH+](C)CCn1ccc2ccc(NC(=O)C3(c4cccnc4)CCCC3)cc21 ZINC000571717878 823223787 /nfs/dbraw/zinc/22/37/87/823223787.db2.gz IOCVTKSHMDMIFV-UHFFFAOYSA-N 1 0 376.504 4.048 20 0 GIADRO COc1ccc(-c2ccccc2C)cc1C[NH2+][C@@H]1CCC[C@H]2CN(C(C)=O)C[C@@H]21 ZINC000459575156 823223765 /nfs/dbraw/zinc/22/37/65/823223765.db2.gz ZLXDJSYJQIFYNU-NKKJXINNSA-N 1 0 392.543 4.407 20 0 GIADRO CCCCn1ncc(C(=O)NC[C@H](c2ccc(SC)cc2)[NH+](C)C)c1CC ZINC000571716090 823223848 /nfs/dbraw/zinc/22/38/48/823223848.db2.gz WASNBDQPBYGUDY-HXUWFJFHSA-N 1 0 388.581 4.000 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)C(C)(C)Cc2nc3ccccc3[nH]2)c1 ZINC000409471052 823228011 /nfs/dbraw/zinc/22/80/11/823228011.db2.gz PSJHNJBBCMRMAN-UHFFFAOYSA-N 1 0 392.547 4.290 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1C[NH2+][C@@H]1C[C@H](OC(C)(C)C)[C@@H]1n1cccn1 ZINC000459577473 823224246 /nfs/dbraw/zinc/22/42/46/823224246.db2.gz WHHTVYNKDQQJLA-AYOQOUSVSA-N 1 0 399.564 4.065 20 0 GIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccn(-c3cccc(Cl)c3)n2)C1 ZINC000409460484 823224473 /nfs/dbraw/zinc/22/44/73/823224473.db2.gz SXJZVLGIAURUNB-QFBILLFUSA-N 1 0 394.906 4.091 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)C(C)(C)Cc1nc2ccccc2[nH]1)c1ccsc1 ZINC000409461322 823224829 /nfs/dbraw/zinc/22/48/29/823224829.db2.gz YMZNQPRRTHOOGI-IBGZPJMESA-N 1 0 398.576 4.392 20 0 GIADRO CN(C(=O)CCN1CCC[C@H]1c1ccc(Br)cn1)c1ccccc1 ZINC000459584043 823225597 /nfs/dbraw/zinc/22/55/97/823225597.db2.gz ALPLGTOZOQPRAT-SFHVURJKSA-N 1 0 388.309 4.034 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)c2cnc3cnccc3c2)C1 ZINC000409464171 823225790 /nfs/dbraw/zinc/22/57/90/823225790.db2.gz IODSLIJZDOZZJN-HDICACEKSA-N 1 0 388.515 4.038 20 0 GIADRO COCc1cc(C[NH2+]CC2(c3ccc(Br)cc3Cl)CC2)no1 ZINC000459586155 823225842 /nfs/dbraw/zinc/22/58/42/823225842.db2.gz IYPVNIYSLPAWFZ-UHFFFAOYSA-N 1 0 385.689 4.058 20 0 GIADRO CC1CC[NH+](CCCCNC(=O)[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000409464757 823226142 /nfs/dbraw/zinc/22/61/42/823226142.db2.gz QTZOXFWRYLODQS-XLIONFOSSA-N 1 0 396.934 4.185 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+]C2CCN(c3ccc(N(C)C)cc3)CC2)c1 ZINC000121678316 823228881 /nfs/dbraw/zinc/22/88/81/823228881.db2.gz FTBCZRWITALUPT-KRWDZBQOSA-N 1 0 380.536 4.031 20 0 GIADRO O=C(COc1ccsc1Cl)NC[C@@H](NCc1ccccc1)c1ccco1 ZINC000571748730 823229166 /nfs/dbraw/zinc/22/91/66/823229166.db2.gz FFBNXKQUTCEILW-OAHLLOKOSA-N 1 0 390.892 4.021 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCCCC2=O)cc1 ZINC000188376245 823229277 /nfs/dbraw/zinc/22/92/77/823229277.db2.gz KBSYEIJALWWXCU-HSZRJFAPSA-N 1 0 393.531 4.221 20 0 GIADRO CC(C)CS(=O)(=O)N1CCC([NH2+][C@H](C)c2cc3ccccc3s2)CC1 ZINC000188378155 823229570 /nfs/dbraw/zinc/22/95/70/823229570.db2.gz XDEHEPLPPBXCGW-OAHLLOKOSA-N 1 0 380.579 4.002 20 0 GIADRO CCc1nnc(-c2ccc(NC(=O)[C@@H]3CCCC[N@@H+]3Cc3ccccc3)cc2)o1 ZINC000176532063 823230646 /nfs/dbraw/zinc/23/06/46/823230646.db2.gz SPKGLKMNNWFBNK-FQEVSTJZSA-N 1 0 390.487 4.292 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC[C@H](O)Cc3ccc(C(F)(F)F)cc3)ccc21 ZINC000571756438 823231076 /nfs/dbraw/zinc/23/10/76/823231076.db2.gz MDHKMXYVKAYJDO-QUCCMNQESA-N 1 0 378.438 4.270 20 0 GIADRO Cc1nnc([C@H](C)[NH2+][C@@H]2CCN(C(C)(C)C)[C@H]2c2ccc(Cl)c(F)c2)[nH]1 ZINC000571764131 823231711 /nfs/dbraw/zinc/23/17/11/823231711.db2.gz FJWPOPQBQSNOIA-JECHBYEQSA-N 1 0 379.911 4.170 20 0 GIADRO C[C@@H](CCCc1cccnc1)[NH2+]CC(=O)NCCc1cccc(Cl)c1Cl ZINC000459630523 823233122 /nfs/dbraw/zinc/23/31/22/823233122.db2.gz AOWCDRBFQQUGND-HNNXBMFYSA-N 1 0 394.346 4.048 20 0 GIADRO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000409487158 823232588 /nfs/dbraw/zinc/23/25/88/823232588.db2.gz PEESCGVPXYQZDD-GMBSWORKSA-N 1 0 384.923 4.183 20 0 GIADRO CC(=O)Nc1ccc(C)c(C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000188396718 823233188 /nfs/dbraw/zinc/23/31/88/823233188.db2.gz OPVZQTUHXNXVCZ-INIZCTEOSA-N 1 0 379.504 4.438 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)C[NH2+][C@]2(C)CCCC[C@H]2C)c(C(F)(F)F)c1 ZINC000459605710 823228596 /nfs/dbraw/zinc/22/85/96/823228596.db2.gz DNJDPQBVFMXBKQ-KZULUSFZSA-N 1 0 385.430 4.161 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)CCCc1cccnc1)C(=O)Nc1ccccc1Br ZINC000459633200 823233792 /nfs/dbraw/zinc/23/37/92/823233792.db2.gz DPAAGBSMHQRBBZ-LSDHHAIUSA-N 1 0 390.325 4.172 20 0 GIADRO CCN(C(=O)C[NH2+][C@H](C)CCCc1cccnc1)c1nc2ccccc2s1 ZINC000459635713 823234603 /nfs/dbraw/zinc/23/46/03/823234603.db2.gz GPJHGPUSIFQYRJ-MRXNPFEDSA-N 1 0 382.533 4.045 20 0 GIADRO C[C@H](CCCc1cccnc1)[NH2+]Cc1csc(CC(=O)Nc2ccccc2)n1 ZINC000459636315 823234718 /nfs/dbraw/zinc/23/47/18/823234718.db2.gz KQVKFACELOUVCT-QGZVFWFLSA-N 1 0 394.544 4.220 20 0 GIADRO FC(F)(F)[C@@H]1CC[N@H+](CCOc2ccc(Cl)cc2)CC12CCOCC2 ZINC000459637099 823234739 /nfs/dbraw/zinc/23/47/39/823234739.db2.gz HZDWCHFTPIOJIQ-MRXNPFEDSA-N 1 0 377.834 4.400 20 0 GIADRO O=C(c1ccc(Cl)cc1)c1ccccc1C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000571796049 823235533 /nfs/dbraw/zinc/23/55/33/823235533.db2.gz CGMQQFLKZFNMCT-SFHVURJKSA-N 1 0 396.918 4.033 20 0 GIADRO FC(F)(F)[C@H]1CC[N@H+](Cc2ccc3c(c2)OCCCCO3)CC12CCOCC2 ZINC000459641145 823236078 /nfs/dbraw/zinc/23/60/78/823236078.db2.gz AQEDDVKHEUXKSW-IBGZPJMESA-N 1 0 399.453 4.419 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(OC(F)F)c(Br)c1)c1cncc(F)c1 ZINC000459643813 823236389 /nfs/dbraw/zinc/23/63/89/823236389.db2.gz DFAHTYOHHJMMTL-VIFPVBQESA-N 1 0 375.188 4.435 20 0 GIADRO Cc1cnc([C@H](C)NC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)s1 ZINC000176557013 823236666 /nfs/dbraw/zinc/23/66/66/823236666.db2.gz IXFMFCWFTFHKBC-KRWDZBQOSA-N 1 0 394.544 4.193 20 0 GIADRO CCOc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@H](C)CCCc2cccnc2)cc1 ZINC000459644240 823236731 /nfs/dbraw/zinc/23/67/31/823236731.db2.gz WUOZGDJIPLJFCH-XXBNENTESA-N 1 0 395.547 4.145 20 0 GIADRO FC(F)(F)[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccccc2)CC12CCOCC2 ZINC000459645433 823237048 /nfs/dbraw/zinc/23/70/48/823237048.db2.gz GPFHEGINFDPFSB-QGZVFWFLSA-N 1 0 379.426 4.258 20 0 GIADRO C[C@H](CCCc1cccnc1)[NH2+][C@H](C)C(=O)Nc1cccc(Br)c1 ZINC000459645352 823237084 /nfs/dbraw/zinc/23/70/84/823237084.db2.gz QUXPPGOEDFWBSZ-HUUCEWRRSA-N 1 0 390.325 4.172 20 0 GIADRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1csc(Br)c1 ZINC000121720876 823237124 /nfs/dbraw/zinc/23/71/24/823237124.db2.gz BRSHYPRMTPHWTH-HOCLYGCPSA-N 1 0 391.334 4.267 20 0 GIADRO C[C@H](CCCc1cccnc1)[NH2+][C@@H](C)C(=O)Nc1nc2ccc(F)cc2s1 ZINC000459645283 823237106 /nfs/dbraw/zinc/23/71/06/823237106.db2.gz QKZUYBLTZZHVQB-KGLIPLIRSA-N 1 0 386.496 4.158 20 0 GIADRO C[C@H]([NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)c1nc2c(s1)CCC2 ZINC000459647363 823237854 /nfs/dbraw/zinc/23/78/54/823237854.db2.gz JXJOSMGRVUEQCT-ZDUSSCGKSA-N 1 0 389.952 4.241 20 0 GIADRO COc1ccc(NC(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cc1SC ZINC000459647555 823238150 /nfs/dbraw/zinc/23/81/50/823238150.db2.gz ABWZKEFRTLMQFM-QAPCUYQASA-N 1 0 385.533 4.374 20 0 GIADRO CCn1nc(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c2ccccc21 ZINC000459647933 823238168 /nfs/dbraw/zinc/23/81/68/823238168.db2.gz KSCQPXAHUGDIFY-GOSISDBHSA-N 1 0 381.442 4.237 20 0 GIADRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)/C=C/c1ccc(Cl)nc1 ZINC000121729080 823238740 /nfs/dbraw/zinc/23/87/40/823238740.db2.gz HBXFYTRNQQMATI-SOFGYWHQSA-N 1 0 387.936 4.244 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000176569410 823239041 /nfs/dbraw/zinc/23/90/41/823239041.db2.gz HSVHKSFRNLLXJR-WTOYTKOKSA-N 1 0 378.520 4.078 20 0 GIADRO COc1cc(Br)c(C[NH2+][C@H](C)CCCc2cccnc2)cc1O ZINC000459650565 823239145 /nfs/dbraw/zinc/23/91/45/823239145.db2.gz NLYCPYUKHNZKDL-CYBMUJFWSA-N 1 0 379.298 4.059 20 0 GIADRO Cn1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c(-c2cccs2)n1 ZINC000459650612 823239311 /nfs/dbraw/zinc/23/93/11/823239311.db2.gz NQQZIUYFMBOSPG-MRXNPFEDSA-N 1 0 399.482 4.330 20 0 GIADRO Cc1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459651206 823239332 /nfs/dbraw/zinc/23/93/32/823239332.db2.gz OVIAKXPNSDZFIA-LJQANCHMSA-N 1 0 393.453 4.362 20 0 GIADRO FC(F)(F)[C@H]1CC[N@H+](Cc2cnc(-c3ccncc3)s2)CC12CCOCC2 ZINC000459651274 823239351 /nfs/dbraw/zinc/23/93/51/823239351.db2.gz PFGQSEDVKVAMRI-INIZCTEOSA-N 1 0 397.466 4.386 20 0 GIADRO C[C@H](CCCc1cccnc1)[NH2+][C@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000459652385 823239546 /nfs/dbraw/zinc/23/95/46/823239546.db2.gz QMEANNSALAUMFY-QZTJIDSGSA-N 1 0 387.955 4.473 20 0 GIADRO CCN(C(=O)[C@@H](C)[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1)c1ccccc1 ZINC000459651497 823239580 /nfs/dbraw/zinc/23/95/80/823239580.db2.gz ZCDIKCQXVHECDL-SJLPKXTDSA-N 1 0 398.469 4.109 20 0 GIADRO CCN(C(=O)[C@H](C)[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1)c1ccccc1 ZINC000459651498 823239638 /nfs/dbraw/zinc/23/96/38/823239638.db2.gz ZCDIKCQXVHECDL-WMZOPIPTSA-N 1 0 398.469 4.109 20 0 GIADRO FC(F)(F)[C@H]1CC[N@H+](Cc2cnc([C@H]3CCCO3)s2)CC12CCOCC2 ZINC000459652846 823239842 /nfs/dbraw/zinc/23/98/42/823239842.db2.gz QXHVNCFVEPAJNR-CABCVRRESA-N 1 0 390.471 4.176 20 0 GIADRO C[C@@H](CCCc1cccnc1)[NH2+][C@@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000459652386 823239870 /nfs/dbraw/zinc/23/98/70/823239870.db2.gz QMEANNSALAUMFY-ROUUACIJSA-N 1 0 387.955 4.473 20 0 GIADRO Fc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)cc1 ZINC000459652413 823240158 /nfs/dbraw/zinc/24/01/58/823240158.db2.gz QPVYMTCWXNISIS-QGZVFWFLSA-N 1 0 397.416 4.397 20 0 GIADRO CC(=O)Nc1cccc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1C ZINC000188437909 823240851 /nfs/dbraw/zinc/24/08/51/823240851.db2.gz KIVZJYFGEFXQIS-UTKZUKDTSA-N 1 0 393.531 4.079 20 0 GIADRO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)o1 ZINC000459655807 823241412 /nfs/dbraw/zinc/24/14/12/823241412.db2.gz VFDDVOOSRWTACI-INIZCTEOSA-N 1 0 383.414 4.159 20 0 GIADRO FC(F)(F)[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccsc2)CC12CCOCC2 ZINC000459656882 823241760 /nfs/dbraw/zinc/24/17/60/823241760.db2.gz WFZWZCRXOANMJF-OAHLLOKOSA-N 1 0 385.455 4.319 20 0 GIADRO COc1ccccc1C[N@@H+]1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000121751217 823242836 /nfs/dbraw/zinc/24/28/36/823242836.db2.gz VOWXBYZDWQRGHK-OAHLLOKOSA-N 1 0 390.409 4.136 20 0 GIADRO Fc1ccc(-n2ccc(CN3CC[C@H](C(F)(F)F)C4(CCOCC4)C3)n2)cc1 ZINC000459661620 823243891 /nfs/dbraw/zinc/24/38/91/823243891.db2.gz MSTBUIVKHBLKQJ-SFHVURJKSA-N 1 0 397.416 4.192 20 0 GIADRO O=C(Nc1cccc2c1CC[NH2+]C2)N1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000571863461 823247447 /nfs/dbraw/zinc/24/74/47/823247447.db2.gz OYQPTSPQTAFVCM-KRWDZBQOSA-N 1 0 387.936 4.384 20 0 GIADRO COc1ccc(NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1SC ZINC000459663854 823244939 /nfs/dbraw/zinc/24/49/39/823244939.db2.gz YWOFLIBSESYMQG-UHFFFAOYSA-N 1 0 385.533 4.335 20 0 GIADRO CSC1(CNC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2Cl)CC[NH+](C)CC1 ZINC000571853887 823246320 /nfs/dbraw/zinc/24/63/20/823246320.db2.gz NRPWTCSQZXUDHC-GJZGRUSLSA-N 1 0 387.376 4.041 20 0 GIADRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N1CCC(C(F)(F)F)CC1 ZINC000121766427 823246373 /nfs/dbraw/zinc/24/63/73/823246373.db2.gz CHDVPFYVGFXCNL-HZPDHXFCSA-N 1 0 397.485 4.127 20 0 GIADRO CCOc1ccc([C@@H](C)NC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)cc1 ZINC000121775781 823247798 /nfs/dbraw/zinc/24/77/98/823247798.db2.gz USKOXPCULUBQRU-QGZVFWFLSA-N 1 0 385.508 4.045 20 0 GIADRO CC(C)(C)OC(=O)N1CCc2cccc(C[NH2+]C[C@H](CCO)c3ccccc3)c21 ZINC000176607132 823247153 /nfs/dbraw/zinc/24/71/53/823247153.db2.gz CXAHTUCNVQLCLV-FQEVSTJZSA-N 1 0 396.531 4.240 20 0 GIADRO CCOc1cc(C[NH2+][C@H]2c3sccc3OC(C)(C)[C@@H]2O)ccc1OC(F)F ZINC000459677921 823248643 /nfs/dbraw/zinc/24/86/43/823248643.db2.gz BENOAJVGRDBJLI-DOTOQJQBSA-N 1 0 399.459 4.111 20 0 GIADRO CC[C@@H]1C[C@H]([NH2+]C[C@H](O)CO[C@@H](c2ccccc2)c2ccc(C)cc2)CCO1 ZINC000571874708 823248697 /nfs/dbraw/zinc/24/86/97/823248697.db2.gz DQMGYWHCUGJKII-QPXUXIHVSA-N 1 0 383.532 4.009 20 0 GIADRO Cc1ncc(C[NH2+][C@H](C)COc2ccc3cc(Br)ccc3c2)o1 ZINC000459678649 823249049 /nfs/dbraw/zinc/24/90/49/823249049.db2.gz RYQPKDXVLMDOAZ-GFCCVEGCSA-N 1 0 375.266 4.456 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc3cc[nH]c(=O)c3c2)[C@@H]1c1cccs1 ZINC000571876403 823249064 /nfs/dbraw/zinc/24/90/64/823249064.db2.gz RVKWOZYSEXXHSZ-HNAYVOBHSA-N 1 0 396.516 4.207 20 0 GIADRO CCCOc1c(Br)cc(CN2CCC([NH+](C)C)CC2)cc1OCC ZINC000121780890 823249824 /nfs/dbraw/zinc/24/98/24/823249824.db2.gz WNLLIPQMQAWRQV-UHFFFAOYSA-N 1 0 399.373 4.163 20 0 GIADRO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)o1 ZINC000571916008 823253516 /nfs/dbraw/zinc/25/35/16/823253516.db2.gz RGDHHPDJSOCSEL-MSOLQXFVSA-N 1 0 394.475 4.091 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)N(C)CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000409582271 823254450 /nfs/dbraw/zinc/25/44/50/823254450.db2.gz ORJWNUWKNNCIDF-AWEZNQCLSA-N 1 0 399.379 4.292 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+]CC2CCN(CC(F)(F)F)CC2)cc1OCC ZINC000188514866 823254563 /nfs/dbraw/zinc/25/45/63/823254563.db2.gz QCMUBYZMRNDQPB-HNNXBMFYSA-N 1 0 388.474 4.409 20 0 GIADRO COc1c(C)cnc(CN2CCC([N@H+](C)C[C@@H]3C[C@@H]3c3ccccc3)CC2)c1C ZINC000571924225 823254885 /nfs/dbraw/zinc/25/48/85/823254885.db2.gz FMSOJGLNSZNPBI-JTHBVZDNSA-N 1 0 393.575 4.407 20 0 GIADRO Cc1ccc(Cc2ccccn2)cc1NC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000571942692 823257884 /nfs/dbraw/zinc/25/78/84/823257884.db2.gz JXPQEDZRKUPPSA-OAQYLSRUSA-N 1 0 394.544 4.467 20 0 GIADRO C[C@H]([NH2+]CC1CCN(CC(F)(F)F)CC1)c1nc2ccc(Cl)cc2n1C ZINC000188518183 823255221 /nfs/dbraw/zinc/25/52/21/823255221.db2.gz GAULTNBGCUGDEQ-LBPRGKRZSA-N 1 0 388.865 4.152 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)C[C@H](C)n1ccnc1)c1ccc(C(F)(F)F)cc1 ZINC000571928134 823255729 /nfs/dbraw/zinc/25/57/29/823255729.db2.gz BYLXVZMECWAXNJ-YJBOKZPZSA-N 1 0 396.457 4.052 20 0 GIADRO COc1cccc([C@H]2CCCN2C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000057153380 823255846 /nfs/dbraw/zinc/25/58/46/823255846.db2.gz XINVQYRHXDSZOK-FYYLOGMGSA-N 1 0 378.516 4.271 20 0 GIADRO O=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000057154094 823256114 /nfs/dbraw/zinc/25/61/14/823256114.db2.gz CFMHYNDKYMXYIE-FQEVSTJZSA-N 1 0 397.906 4.070 20 0 GIADRO C[N@H+](CCO)Cc1cc(NCc2cc(Br)cs2)ccc1Cl ZINC000571943936 823258196 /nfs/dbraw/zinc/25/81/96/823258196.db2.gz KNPOVCMNLFPYLQ-UHFFFAOYSA-N 1 0 389.746 4.200 20 0 GIADRO CC(C)NC(=O)Nc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000057154728 823256498 /nfs/dbraw/zinc/25/64/98/823256498.db2.gz CUAYWIRDRZKPIX-UHFFFAOYSA-N 1 0 394.519 4.067 20 0 GIADRO c1c(C[N@@H+]2CC3(CCC3)[C@H]3COC[C@@H]32)c(-c2ccccn2)nn1C1CCCC1 ZINC000459721561 823256508 /nfs/dbraw/zinc/25/65/08/823256508.db2.gz ORDMAZUZQJKRGA-FPOVZHCZSA-N 1 0 378.520 4.061 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)N[C@@H](CC(F)(F)F)c1ccccc1)c1ccsc1 ZINC000057130591 823252914 /nfs/dbraw/zinc/25/29/14/823252914.db2.gz NFWOFHAUMHGZMV-HOTGVXAUSA-N 1 0 385.455 4.344 20 0 GIADRO OCC1([NH2+]Cc2nc(-c3cc(Cl)ccc3Cl)cs2)CCSCC1 ZINC000459738080 823258771 /nfs/dbraw/zinc/25/87/71/823258771.db2.gz XEFUSWKWFANBQG-UHFFFAOYSA-N 1 0 389.373 4.465 20 0 GIADRO O=C(c1ccc[nH]c1=S)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000176669223 823263040 /nfs/dbraw/zinc/26/30/40/823263040.db2.gz IXHLILQEXIAANV-UHFFFAOYSA-N 1 0 381.545 4.405 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H](Cc2ccccc2)c2ccccc2)CC[N@@H+]1C ZINC000176658997 823259743 /nfs/dbraw/zinc/25/97/43/823259743.db2.gz NFUZYFNDACYINB-UEVCKROQSA-N 1 0 379.548 4.137 20 0 GIADRO C[N@H+](Cc1cc(Br)ccc1OCc1ccccn1)[C@H]1CCCOC1 ZINC000571961508 823260987 /nfs/dbraw/zinc/26/09/87/823260987.db2.gz ZCLBIRPBLYLDDT-SFHVURJKSA-N 1 0 391.309 4.034 20 0 GIADRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N1CCC[C@@H]1c1ccc[nH]1 ZINC000121844395 823261471 /nfs/dbraw/zinc/26/14/71/823261471.db2.gz JIHQWVHVVPTFNK-DBXWQHBBSA-N 1 0 380.536 4.018 20 0 GIADRO CCc1ccccc1N(C(C)=O)c1nc(CN[C@@H]2C[C@H](OC)C23CCC3)cs1 ZINC000459761926 823261644 /nfs/dbraw/zinc/26/16/44/823261644.db2.gz NHQNANOAUZWCLQ-UXHICEINSA-N 1 0 399.560 4.437 20 0 GIADRO COc1ccc([C@H](CO)C[NH2+]C2CC(c3ccc(Br)cc3)C2)cc1 ZINC000459759689 823261652 /nfs/dbraw/zinc/26/16/52/823261652.db2.gz TWWUQAVAOUXLKJ-HFCFLWKCSA-N 1 0 390.321 4.069 20 0 GIADRO Fc1ccc(C[NH2+][C@@H]2CCO[C@H]2c2cncc(Br)c2)cc1Cl ZINC000459767133 823262238 /nfs/dbraw/zinc/26/22/38/823262238.db2.gz PMEKOVKQTLAPHA-CVEARBPZSA-N 1 0 385.664 4.256 20 0 GIADRO FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCO[C@H]2c2cncc(Br)c2)C1 ZINC000459775569 823263455 /nfs/dbraw/zinc/26/34/55/823263455.db2.gz XJFKNNYYXFVHBI-BEAPCOKYSA-N 1 0 393.247 4.385 20 0 GIADRO CO[C@@H]1C[C@@H]([NH2+]Cc2coc(-c3ccc(Br)cc3)n2)C12CCC2 ZINC000459769596 823262581 /nfs/dbraw/zinc/26/25/81/823262581.db2.gz QXNIZCQISHOXCT-HZPDHXFCSA-N 1 0 377.282 4.151 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)C1(c2ccc(F)cc2)CCOCC1 ZINC000057192853 823262801 /nfs/dbraw/zinc/26/28/01/823262801.db2.gz MJBRLBYFCLJGBH-UHFFFAOYSA-N 1 0 398.522 4.032 20 0 GIADRO Cc1ccc(C[C@@H]([NH2+][C@@H](C)Cn2cc(Br)cn2)c2ccccn2)cc1 ZINC000121879936 823268867 /nfs/dbraw/zinc/26/88/67/823268867.db2.gz RWUFBZODDUPUCX-OXJNMPFZSA-N 1 0 399.336 4.311 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)NCCc2nc3c(cccc3C)o2)cc1)C(C)C ZINC000409627973 823265803 /nfs/dbraw/zinc/26/58/03/823265803.db2.gz AVEQEUMEWFWCRE-UHFFFAOYSA-N 1 0 379.504 4.339 20 0 GIADRO CC(C)C[C@@H](Cc1cccc(Br)c1)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000176690771 823269060 /nfs/dbraw/zinc/26/90/60/823269060.db2.gz ZJBJWLZAQQAFRL-ROUUACIJSA-N 1 0 395.385 4.064 20 0 GIADRO CCC[C@@H]([NH2+]CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1)C1CCC1 ZINC000459807392 823266224 /nfs/dbraw/zinc/26/62/24/823266224.db2.gz RCYUBLSYDWPPBE-GOSISDBHSA-N 1 0 385.533 4.497 20 0 GIADRO Cc1nc(COc2ccc(C[N@H+]3CC=C(c4ccc(F)cc4)CC3)cc2)no1 ZINC000121868986 823266837 /nfs/dbraw/zinc/26/68/37/823266837.db2.gz BETIVKGJKFNSCP-UHFFFAOYSA-N 1 0 379.435 4.385 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCCC1)NC[C@H]1CCCC(F)(F)C1 ZINC000409633088 823267599 /nfs/dbraw/zinc/26/75/99/823267599.db2.gz VBQOBNWRDHFVTF-KRWDZBQOSA-N 1 0 379.495 4.297 20 0 GIADRO C[C@@H]([NH2+]C1CCC2(CC1)C(=O)Nc1ccccc12)c1ccccc1-n1cccn1 ZINC000121873854 823267793 /nfs/dbraw/zinc/26/77/93/823267793.db2.gz VNCDMVGVRNKPPY-MDPMHESRSA-N 1 0 386.499 4.356 20 0 GIADRO CN(C)[C@H](C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1cccc(Cl)c1 ZINC000409634661 823268225 /nfs/dbraw/zinc/26/82/25/823268225.db2.gz DMOUVJBYBGJHJS-QFIPXVFZSA-N 1 0 399.966 4.245 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H](c1cccc(Cl)c1)N(C)C ZINC000409635039 823268412 /nfs/dbraw/zinc/26/84/12/823268412.db2.gz IATUPVOJALPXTM-OAQYLSRUSA-N 1 0 387.955 4.101 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(-c2ccncc2)nc2ccccc21 ZINC000004417455 817525810 /nfs/dbraw/zinc/52/58/10/817525810.db2.gz MWBPONSJSHEABO-GOSISDBHSA-N 1 0 388.515 4.291 20 0 GIADRO CC(=O)c1cc(C(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)ccc1C ZINC000572027337 823271052 /nfs/dbraw/zinc/27/10/52/823271052.db2.gz AVAXISMKOPXLSM-UHFFFAOYSA-N 1 0 390.527 4.326 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)CC1 ZINC000057255038 823271688 /nfs/dbraw/zinc/27/16/88/823271688.db2.gz NNVWQELBCSOKSM-UHFFFAOYSA-N 1 0 394.519 4.277 20 0 GIADRO O=C(N[C@H](c1cccc(F)c1)c1ccccn1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000121896534 823272213 /nfs/dbraw/zinc/27/22/13/823272213.db2.gz KZEGQRWARNFDDB-XMSQKQJNSA-N 1 0 381.495 4.081 20 0 GIADRO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000121901683 823273098 /nfs/dbraw/zinc/27/30/98/823273098.db2.gz ZELCMWSHAQUJNI-ZIAGYGMSSA-N 1 0 396.350 4.134 20 0 GIADRO CC(C)c1cccc2c1OCCC[C@H]2[NH2+]Cc1ccc(N2CCO[C@@H](C)C2)nc1 ZINC000121929785 823278845 /nfs/dbraw/zinc/27/88/45/823278845.db2.gz HLQFONSWWUHYIU-PGRDOPGGSA-N 1 0 395.547 4.434 20 0 GIADRO Cc1ccc([C@H]([NH2+]C/C=C\c2ccc(F)c(F)c2)[C@@H](C)S(C)(=O)=O)cc1 ZINC000572079477 823279234 /nfs/dbraw/zinc/27/92/34/823279234.db2.gz CRUKLKWKWFEKBQ-IFLIKKASSA-N 1 0 379.472 4.050 20 0 GIADRO CCC1(CO)CCN(Cc2cc(Br)cc(Br)c2)CC1 ZINC000572079741 823279300 /nfs/dbraw/zinc/27/93/00/823279300.db2.gz OQPIWERBCGPJBI-UHFFFAOYSA-N 1 0 391.147 4.196 20 0 GIADRO COc1cccc2c1CC[C@@H]2[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000121910688 823275408 /nfs/dbraw/zinc/27/54/08/823275408.db2.gz OXKBGLBIXLWIDE-KKSFZXQISA-N 1 0 377.488 4.346 20 0 GIADRO CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000188626359 823275687 /nfs/dbraw/zinc/27/56/87/823275687.db2.gz ZKTLWKZLCLCATP-URLQWDBASA-N 1 0 386.458 4.039 20 0 GIADRO C[N@H+](Cc1ccccc1CNC(=O)N(C[C@H]1CCOC1)C1CC1)C1CCCCC1 ZINC000057286247 823275828 /nfs/dbraw/zinc/27/58/28/823275828.db2.gz NBCDVECJNOSPFA-LJQANCHMSA-N 1 0 399.579 4.162 20 0 GIADRO C[C@H](c1ccco1)N(C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)C1CC1 ZINC000121913277 823275910 /nfs/dbraw/zinc/27/59/10/823275910.db2.gz USXWJTUVGYRATP-SJORKVTESA-N 1 0 387.549 4.488 20 0 GIADRO C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000188629767 823276332 /nfs/dbraw/zinc/27/63/32/823276332.db2.gz JBNVBZINAKHATB-IGCXYCKISA-N 1 0 392.849 4.130 20 0 GIADRO C[C@@H](NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1)c1ccc(Br)cn1 ZINC000572066083 823276931 /nfs/dbraw/zinc/27/69/31/823276931.db2.gz CLZZMYODQKPDFA-FOIQADDNSA-N 1 0 388.353 4.405 20 0 GIADRO CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccccc1Cn1ccnc1 ZINC000572065946 823277009 /nfs/dbraw/zinc/27/70/09/823277009.db2.gz IQVURNSKWUPUJK-NRFANRHFSA-N 1 0 397.906 4.305 20 0 GIADRO CC1=NN(c2ccc(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)cc2)CC1 ZINC000176724075 823277994 /nfs/dbraw/zinc/27/79/94/823277994.db2.gz RTGLBNKTRUBGMM-KNQAVFIVSA-N 1 0 390.531 4.056 20 0 GIADRO Cn1cc(NC(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)c(C2CCCCC2)n1 ZINC000572114046 823285671 /nfs/dbraw/zinc/28/56/71/823285671.db2.gz ZCLJAGUBSTYULE-LJQANCHMSA-N 1 0 387.503 4.031 20 0 GIADRO COc1ccc(NC(=S)N(Cc2ccco2)C2CC[NH+](C)CC2)cc1Cl ZINC000006857562 817719916 /nfs/dbraw/zinc/71/99/16/817719916.db2.gz CJIFCBANRAEPDF-UHFFFAOYSA-N 1 0 393.940 4.235 20 0 GIADRO O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(Cl)cc1 ZINC000409688078 823283306 /nfs/dbraw/zinc/28/33/06/823283306.db2.gz NQDRRNAYOZXEEX-UHFFFAOYSA-N 1 0 386.927 4.064 20 0 GIADRO Cc1cccc(OCCCCC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)c1 ZINC000057382817 823285729 /nfs/dbraw/zinc/28/57/29/823285729.db2.gz YQTXOJMQDRXMMO-UHFFFAOYSA-N 1 0 395.547 4.243 20 0 GIADRO c1cc(C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)cc(CN2CCOCC2)c1 ZINC000121958009 823284521 /nfs/dbraw/zinc/28/45/21/823284521.db2.gz KRTYISYCZBYOEI-XMMPIXPASA-N 1 0 392.543 4.011 20 0 GIADRO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2ccnn2Cc2ccc(C(C)C)cc2)C1 ZINC000460115037 823287194 /nfs/dbraw/zinc/28/71/94/823287194.db2.gz MGVQTXQAHHWKOQ-FQEVSTJZSA-N 1 0 383.540 4.003 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CCc2cn(C)c3cc(C)ccc23)cc1NC(C)=O ZINC000188696692 823287684 /nfs/dbraw/zinc/28/76/84/823287684.db2.gz IYCFTXZULYAKPL-MRXNPFEDSA-N 1 0 379.504 4.347 20 0 GIADRO COCC[C@@H](NC(=O)Nc1ccc2c(c1)C[NH2+]C2)c1ccc(Cl)c(Cl)c1 ZINC000572131338 823287722 /nfs/dbraw/zinc/28/77/22/823287722.db2.gz UPTREECMAJNGEE-GOSISDBHSA-N 1 0 394.302 4.496 20 0 GIADRO CCS(=O)(=O)c1ccc(N2CCC([NH2+][C@@H](C)CCC=C(C)C)CC2)cc1 ZINC000121977330 823287958 /nfs/dbraw/zinc/28/79/58/823287958.db2.gz TZYMRHVKJTUPCU-SFHVURJKSA-N 1 0 378.582 4.174 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)N2CCc3ccccc32)cc1OCC ZINC000007266836 817807739 /nfs/dbraw/zinc/80/77/39/817807739.db2.gz NYBZDZAJENJOLA-IAGOWNOFSA-N 1 0 382.504 4.112 20 0 GIADRO CCC(CC)[C@H](NC(=O)NCC1(SC)CC[NH+](C)CC1)c1ccccc1 ZINC000460126698 823289929 /nfs/dbraw/zinc/28/99/29/823289929.db2.gz HHIVETRKGQKUAO-IBGZPJMESA-N 1 0 377.598 4.291 20 0 GIADRO C[NH+](C)CCN(Cc1ccccc1)C(=S)Nc1ccc(OC(F)F)cc1 ZINC000007369194 817825572 /nfs/dbraw/zinc/82/55/72/817825572.db2.gz UQOYUAUDSFZMDN-UHFFFAOYSA-N 1 0 379.476 4.049 20 0 GIADRO COc1cncc(/C=C/CC[NH2+][C@H](C)c2cnn(-c3ccc(F)cc3)c2C)c1 ZINC000572152550 823291075 /nfs/dbraw/zinc/29/10/75/823291075.db2.gz WKUWYIVVLRPXRJ-MQDFFIGUSA-N 1 0 380.467 4.478 20 0 GIADRO CCS(=O)(=O)c1ccc(N2CCC([NH2+][C@@H]3CCC[C@@H](C4CC4)C3)CC2)cc1 ZINC000122005742 823291997 /nfs/dbraw/zinc/29/19/97/823291997.db2.gz UKJCMFIGSFWUCW-UYAOXDASSA-N 1 0 390.593 4.007 20 0 GIADRO C[C@@H]([NH2+]CCc1ccccc1OC(F)F)c1cccc(N2CCOC2=O)c1 ZINC000188726448 823293994 /nfs/dbraw/zinc/29/39/94/823293994.db2.gz PKTSXBQKWVEPCF-CQSZACIVSA-N 1 0 376.403 4.138 20 0 GIADRO FC(F)Oc1ccc(NC(=S)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000007530720 817863066 /nfs/dbraw/zinc/86/30/66/817863066.db2.gz YQAMQLBGEGELSK-OAHLLOKOSA-N 1 0 381.448 4.005 20 0 GIADRO CCS(=O)(=O)c1ccc(N2CCC([NH2+][C@@H](C)CCC3CCCC3)CC2)cc1 ZINC000122019981 823294246 /nfs/dbraw/zinc/29/42/46/823294246.db2.gz KSZBTPSGFCEAEF-SFHVURJKSA-N 1 0 392.609 4.398 20 0 GIADRO CCOc1cc(C[NH2+]Cc2cccc(Br)c2OC)ccc1OC ZINC000176806072 823297662 /nfs/dbraw/zinc/29/76/62/823297662.db2.gz CASTTXYQDYQKHA-UHFFFAOYSA-N 1 0 380.282 4.155 20 0 GIADRO CCOc1ccccc1[C@H](C)[NH2+]CC(=O)Nc1ccc(Br)cc1 ZINC000572192641 823297688 /nfs/dbraw/zinc/29/76/88/823297688.db2.gz PVXFZHGUXUJRBR-ZDUSSCGKSA-N 1 0 377.282 4.137 20 0 GIADRO FC(F)Oc1ccc(NC(=S)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000007558362 817869672 /nfs/dbraw/zinc/86/96/72/817869672.db2.gz VNSWRBORDFUJDT-HNNXBMFYSA-N 1 0 397.516 4.473 20 0 GIADRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(NC(=O)c3cccnc3)cc2)C12CCCC2 ZINC000572192916 823297697 /nfs/dbraw/zinc/29/76/97/823297697.db2.gz FILAJRXFSBXPMT-RTWAWAEBSA-N 1 0 379.504 4.161 20 0 GIADRO CC[C@H](NC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)c1ccccc1 ZINC000460140614 823294803 /nfs/dbraw/zinc/29/48/03/823294803.db2.gz BOWDDGKXJAMYSU-ZLNRFVROSA-N 1 0 377.532 4.301 20 0 GIADRO O=C(C(Cc1ccccc1)Cc1ccccc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000409735121 823294858 /nfs/dbraw/zinc/29/48/58/823294858.db2.gz UVSMNTJIFCCHQH-UHFFFAOYSA-N 1 0 390.571 4.422 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)N[C@@H](COC)c1cccc(Cl)c1)c1ccco1 ZINC000460141524 823295266 /nfs/dbraw/zinc/29/52/66/823295266.db2.gz GEAHLYOQJPJBNI-ROUUACIJSA-N 1 0 393.915 4.003 20 0 GIADRO CC(C)OC1CCN(C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)CC1 ZINC000572180871 823295762 /nfs/dbraw/zinc/29/57/62/823295762.db2.gz RJUDDALMDPOWOG-UHFFFAOYSA-N 1 0 387.568 4.018 20 0 GIADRO COc1ccccc1[C@@H](C[NH2+]Cc1c(F)cccc1N1CCCC1)N1CCCC1 ZINC000409741721 823296573 /nfs/dbraw/zinc/29/65/73/823296573.db2.gz PTBNFWSIUDBOHF-HSZRJFAPSA-N 1 0 397.538 4.361 20 0 GIADRO Cc1c(Br)cc(C[NH2+][C@@H](C)c2cnn(C)c2)cc1Br ZINC000572189726 823297117 /nfs/dbraw/zinc/29/71/17/823297117.db2.gz FBRNKJITKNRXOQ-JTQLQIEISA-N 1 0 387.119 4.104 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(Cc2ccccc2)Cc2ccccc2)C1 ZINC000409761151 823301158 /nfs/dbraw/zinc/30/11/58/823301158.db2.gz BBSQGYVMAFAPJC-HSZRJFAPSA-N 1 0 378.560 4.278 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)Nc2ccc(OC(F)F)cc2)c1 ZINC000409762430 823301333 /nfs/dbraw/zinc/30/13/33/823301333.db2.gz ZZKKNAXNIAAIKD-UHFFFAOYSA-N 1 0 377.435 4.452 20 0 GIADRO Cc1c(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cnn1CCC(C)C ZINC000122066684 823301301 /nfs/dbraw/zinc/30/13/01/823301301.db2.gz OCZVQELQVNCVGB-DENIHFKCSA-N 1 0 396.579 4.363 20 0 GIADRO CCCc1ccc([C@@H]([NH2+][C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)C(C)C)cc1 ZINC000007851630 817938338 /nfs/dbraw/zinc/93/83/38/817938338.db2.gz LYBFJWDWWWNLRR-KKSFZXQISA-N 1 0 381.520 4.052 20 0 GIADRO CCCc1ccc([C@@H]([NH2+][C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)C(C)C)cc1 ZINC000007851640 817938453 /nfs/dbraw/zinc/93/84/53/817938453.db2.gz LYBFJWDWWWNLRR-IERDGZPVSA-N 1 0 381.520 4.052 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(C)cc2)cc1Br ZINC000007879198 817947553 /nfs/dbraw/zinc/94/75/53/817947553.db2.gz NZPYXMKTBRPLNT-ZDUSSCGKSA-N 1 0 377.282 4.055 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cc2)cc1Br ZINC000007879267 817948289 /nfs/dbraw/zinc/94/82/89/817948289.db2.gz CGROBJGWOXXJBM-NSHDSACASA-N 1 0 397.700 4.400 20 0 GIADRO C[NH+](C)CCOc1cccc(CNC(=O)N(Cc2ccccc2)CC2CCC2)c1 ZINC000057482598 823302901 /nfs/dbraw/zinc/30/29/01/823302901.db2.gz UXAMCWFTMMDCQP-UHFFFAOYSA-N 1 0 395.547 4.139 20 0 GIADRO CC[C@H]([NH2+]C1CCN(c2ccccc2S(=O)(=O)CC)CC1)c1cccs1 ZINC000122050861 823298750 /nfs/dbraw/zinc/29/87/50/823298750.db2.gz FWTZDWRUSAHDBO-KRWDZBQOSA-N 1 0 392.590 4.251 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)COc1cccc(C(F)(F)F)c1 ZINC000007945905 817966445 /nfs/dbraw/zinc/96/64/45/817966445.db2.gz IYOXYXROXZOWHS-UHFFFAOYSA-N 1 0 394.437 4.242 20 0 GIADRO C[NH+](C)Cc1ccnc(NC(=O)/C=C(/c2ccc(Cl)cc2)C(F)(F)F)c1 ZINC000122054414 823299476 /nfs/dbraw/zinc/29/94/76/823299476.db2.gz XIJXGTJDYDIFNB-GDNBJRDFSA-N 1 0 383.801 4.381 20 0 GIADRO CC[NH+](CC)CCOc1cc(NC(=O)c2sccc2SC)ccc1OC ZINC000409754345 823299470 /nfs/dbraw/zinc/29/94/70/823299470.db2.gz TWQZAXOJDXRCFA-UHFFFAOYSA-N 1 0 394.562 4.452 20 0 GIADRO CCN(CC)C(=O)c1ccc(NC(=O)C[NH2+][C@@H](c2ccccc2)C(C)C)cc1 ZINC000008003166 817979491 /nfs/dbraw/zinc/97/94/91/817979491.db2.gz ARWATZLEGQMSJL-JOCHJYFZSA-N 1 0 381.520 4.094 20 0 GIADRO Cc1ccc2nc(C3CC3)cc(C(=O)N3CCC(C[NH+]4CCCC4)CC3)c2c1 ZINC000176828024 823303912 /nfs/dbraw/zinc/30/39/12/823303912.db2.gz MYEWCMYUAJSVCE-UHFFFAOYSA-N 1 0 377.532 4.369 20 0 GIADRO COc1cccc(F)c1[C@H](C)NC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000176828126 823303936 /nfs/dbraw/zinc/30/39/36/823303936.db2.gz SWGZTZRSOZVWOS-IRXDYDNUSA-N 1 0 399.510 4.420 20 0 GIADRO Cc1csc([C@H](NC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)C2CC2)n1 ZINC000176827989 823304023 /nfs/dbraw/zinc/30/40/23/823304023.db2.gz LMKSZLJGFMCVIK-OXQOHEQNSA-N 1 0 398.576 4.427 20 0 GIADRO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)C[C@@H]2C=CCCC2)ccc1Cl ZINC000188802237 823308629 /nfs/dbraw/zinc/30/86/29/823308629.db2.gz QJXXDGQHDSNWKG-MRXNPFEDSA-N 1 0 391.943 4.097 20 0 GIADRO O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)s1 ZINC000176848000 823308656 /nfs/dbraw/zinc/30/86/56/823308656.db2.gz POIXWDGSMXUHGS-UHFFFAOYSA-N 1 0 392.952 4.203 20 0 GIADRO Cc1cc(Br)ccc1NC(=O)C[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000008247451 818022791 /nfs/dbraw/zinc/02/27/91/818022791.db2.gz MCQFCKMZPYZCID-LLVKDONJSA-N 1 0 383.236 4.325 20 0 GIADRO C[C@@H](c1ccco1)N(C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)C1CC1 ZINC000122099168 823306115 /nfs/dbraw/zinc/30/61/15/823306115.db2.gz HLCBWKHORZHMGY-ICSRJNTNSA-N 1 0 381.520 4.079 20 0 GIADRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000572241912 823306806 /nfs/dbraw/zinc/30/68/06/823306806.db2.gz OEMLXQHYSXFTIL-INIZCTEOSA-N 1 0 393.409 4.011 20 0 GIADRO CCC(C)(C)NC(=O)c1ccc(NC(=O)[C@H](CC(C)(C)C)[NH2+]C)cc1Cl ZINC000572243743 823306838 /nfs/dbraw/zinc/30/68/38/823306838.db2.gz IKOWKRIJGUFPDS-INIZCTEOSA-N 1 0 381.948 4.221 20 0 GIADRO CCOC(=O)c1c(CN2CCC([NH3+])CC2)nc2ccccc2c1-c1ccccc1 ZINC000572243862 823306911 /nfs/dbraw/zinc/30/69/11/823306911.db2.gz VHGRYOUWDHIMGV-UHFFFAOYSA-N 1 0 389.499 4.002 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Nc1cc(NC(=O)C2CC2)ccc1C)CC(C)C ZINC000057545336 823308936 /nfs/dbraw/zinc/30/89/36/823308936.db2.gz XZXAKEPFYORZES-IBGZPJMESA-N 1 0 388.556 4.222 20 0 GIADRO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(OC)c(OC)c1)c1ccc(Cl)cc1 ZINC000011048534 818047729 /nfs/dbraw/zinc/04/77/29/818047729.db2.gz FHFKYTVPALQXTJ-CXAGYDPISA-N 1 0 376.884 4.425 20 0 GIADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000176845231 823307827 /nfs/dbraw/zinc/30/78/27/823307827.db2.gz LQPKCJUENUTWGA-XLIONFOSSA-N 1 0 394.987 4.162 20 0 GIADRO CCC[N@H+](CCC(=O)Nc1ccc(N2CCCC2=O)cc1)Cc1ccccc1 ZINC000011203581 818061769 /nfs/dbraw/zinc/06/17/69/818061769.db2.gz PFXROGWUWBRFEO-UHFFFAOYSA-N 1 0 379.504 4.054 20 0 GIADRO COC(=O)c1ccc(C[NH2+]Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)cc1 ZINC000188805988 823309366 /nfs/dbraw/zinc/30/93/66/823309366.db2.gz IAPMCIIYZVAFAN-UHFFFAOYSA-N 1 0 396.487 4.014 20 0 GIADRO COc1ccc([C@H](NC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C2CC2)cc1 ZINC000057566267 823310419 /nfs/dbraw/zinc/31/04/19/823310419.db2.gz APTPYTHXDVQVDJ-FYYLOGMGSA-N 1 0 393.531 4.110 20 0 GIADRO CN(C)C(=O)Sc1cccc(C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)c1 ZINC000176855257 823310725 /nfs/dbraw/zinc/31/07/25/823310725.db2.gz JXFCWBONTXPMNR-UHFFFAOYSA-N 1 0 397.544 4.311 20 0 GIADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N[C@H]1CCCC[C@H]1C(F)(F)F ZINC000572278566 823312172 /nfs/dbraw/zinc/31/21/72/823312172.db2.gz KPPINMCOBWNLBU-QLFBSQMISA-N 1 0 389.487 4.305 20 0 GIADRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1cccc(Br)c1 ZINC000011752804 818116654 /nfs/dbraw/zinc/11/66/54/818116654.db2.gz KUAGMRDNGYQIDP-MJGOQNOKSA-N 1 0 385.305 4.206 20 0 GIADRO C[NH+](C)CCN(Cc1ccco1)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000176876932 823315667 /nfs/dbraw/zinc/31/56/67/823315667.db2.gz FKKRFDXTXODNDS-QGZVFWFLSA-N 1 0 393.940 4.243 20 0 GIADRO COc1cc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)ccc1OC(F)F ZINC000012284724 818152938 /nfs/dbraw/zinc/15/29/38/818152938.db2.gz WHUXQPJBNOXOCD-INIZCTEOSA-N 1 0 390.430 4.147 20 0 GIADRO C[NH+](C)Cc1ccnc(NC(=O)CCSc2ccc(Br)cc2)c1 ZINC000176900052 823320438 /nfs/dbraw/zinc/32/04/38/823320438.db2.gz ALYRNCWDWKJIDI-UHFFFAOYSA-N 1 0 394.338 4.027 20 0 GIADRO Cc1ccc(C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)c2ccccn2)cc1 ZINC000460205838 823316747 /nfs/dbraw/zinc/31/67/47/823316747.db2.gz XYQSVCRTGNRMIN-JOCHJYFZSA-N 1 0 379.548 4.302 20 0 GIADRO Cc1cc(Br)c(F)cc1NC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000188858629 823318087 /nfs/dbraw/zinc/31/80/87/823318087.db2.gz UGUPRHFMEZVAIR-AWEZNQCLSA-N 1 0 398.320 4.236 20 0 GIADRO CCn1c(Cc2cccc3ccccc32)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000460213328 823319402 /nfs/dbraw/zinc/31/94/02/823319402.db2.gz UXQJLGKBAJZECP-XMSQKQJNSA-N 1 0 391.563 4.209 20 0 GIADRO C[NH+](C)CCn1ccc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc21 ZINC000013611697 818213993 /nfs/dbraw/zinc/21/39/93/818213993.db2.gz GLMWOXAKQHRWJX-UHFFFAOYSA-N 1 0 393.512 4.157 20 0 GIADRO C[C@@H]1CCN(C)c2ccccc2N1C(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000460215861 823320110 /nfs/dbraw/zinc/32/01/10/823320110.db2.gz LJYGSDYIIJHURS-GOSISDBHSA-N 1 0 395.572 4.111 20 0 GIADRO Cc1c(F)cccc1NC(=O)CC[NH2+]Cc1ccc(F)cc1Br ZINC000572323183 823320125 /nfs/dbraw/zinc/32/01/25/823320125.db2.gz FIONYMJWCCOGCC-UHFFFAOYSA-N 1 0 383.236 4.154 20 0 GIADRO C[NH+](C)Cc1ccnc(NC(=O)c2csc(-c3ccc(Cl)s3)n2)c1 ZINC000176926849 823326095 /nfs/dbraw/zinc/32/60/95/823326095.db2.gz CAXIOFHGUDQWQD-UHFFFAOYSA-N 1 0 378.910 4.234 20 0 GIADRO COc1ccc(C[C@](C)(O)C[NH2+][C@H]2CCC[C@H]2c2ccc(C)cc2)cc1OC ZINC000572327431 823321628 /nfs/dbraw/zinc/32/16/28/823321628.db2.gz IBVZCIPCMDUWOY-HFMPRLQTSA-N 1 0 383.532 4.232 20 0 GIADRO Cc1cccc2nc(C3CC[NH+](Cc4ccccc4N4CCOCC4)CC3)oc21 ZINC000188883913 823322740 /nfs/dbraw/zinc/32/27/40/823322740.db2.gz SLBQMKKVYXMMGT-UHFFFAOYSA-N 1 0 391.515 4.352 20 0 GIADRO C[NH+](C)Cc1ccnc(NC(=O)CCc2ncc(-c3ccccc3Cl)o2)c1 ZINC000176916174 823323474 /nfs/dbraw/zinc/32/34/74/823323474.db2.gz BLLZUWRVARVCSM-UHFFFAOYSA-N 1 0 384.867 4.023 20 0 GIADRO C[C@@H]1C[C@@H](N(C)Cc2noc(-c3ccsc3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000176917227 823323780 /nfs/dbraw/zinc/32/37/80/823323780.db2.gz KCWTWFSIFWIXOL-APWZRJJASA-N 1 0 382.533 4.283 20 0 GIADRO CC[C@H]([NH2+]CC(=O)NC[C@@H]1CCN(c2ccccc2)C1)c1ccc(Cl)cc1 ZINC000122240356 823326450 /nfs/dbraw/zinc/32/64/50/823326450.db2.gz WTDGHYDCWSKUNC-UWJYYQICSA-N 1 0 385.939 4.023 20 0 GIADRO C[C@@H](O)[C@@](C)(C[NH2+][C@@H](C)c1ncc(Br)s1)Cc1ccccc1 ZINC000188899752 823324841 /nfs/dbraw/zinc/32/48/41/823324841.db2.gz PMVXFPMFHCTIBG-OGHNNQOOSA-N 1 0 383.355 4.186 20 0 GIADRO CC[NH+]1CCC(CNC(=O)Nc2cc(Cl)c(C)cc2Br)CC1 ZINC000572347522 823325328 /nfs/dbraw/zinc/32/53/28/823325328.db2.gz HPMIIBBNQHAXHZ-UHFFFAOYSA-N 1 0 388.737 4.264 20 0 GIADRO C[NH+](C)Cc1ccnc(NC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)c1 ZINC000176931976 823327388 /nfs/dbraw/zinc/32/73/88/823327388.db2.gz HFMLRHOBBRFCSU-UHFFFAOYSA-N 1 0 389.459 4.040 20 0 GIADRO O=C(c1ccc(-c2ccc(Br)s2)s1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000572361527 823327751 /nfs/dbraw/zinc/32/77/51/823327751.db2.gz PXFBTDHFEPLEAQ-MNOVXSKESA-N 1 0 397.363 4.063 20 0 GIADRO COc1cc(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)ccc1OC(F)F ZINC000015301201 818309750 /nfs/dbraw/zinc/30/97/50/818309750.db2.gz GTLARHDTUDKGJZ-INIZCTEOSA-N 1 0 391.414 4.405 20 0 GIADRO C[N@H+](CCC(=O)Nc1ccc(N2CCCC2=O)cc1)[C@H]1CCCc2ccccc21 ZINC000015404712 818321519 /nfs/dbraw/zinc/32/15/19/818321519.db2.gz KJCFRUHTIUNQQP-QFIPXVFZSA-N 1 0 391.515 4.151 20 0 GIADRO COc1ccc(NC(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1F ZINC000057752912 823328572 /nfs/dbraw/zinc/32/85/72/823328572.db2.gz YIMRFBQHZQEFMF-INIZCTEOSA-N 1 0 385.483 4.388 20 0 GIADRO O=C(COc1ccc2ccccc2c1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000015477330 818328323 /nfs/dbraw/zinc/32/83/23/818328323.db2.gz OIXYZJNXANMODE-OAQYLSRUSA-N 1 0 378.472 4.155 20 0 GIADRO COc1cccc(NC(=O)[C@@H]([NH2+]CCc2cccc(F)c2)c2ccccc2)c1 ZINC000015508975 818331920 /nfs/dbraw/zinc/33/19/20/818331920.db2.gz NDTCEZFJRNGDLT-QFIPXVFZSA-N 1 0 378.447 4.346 20 0 GIADRO COc1cccc(NC(=O)[C@H]([NH2+]CCc2cccc(F)c2)c2ccccc2)c1 ZINC000015508977 818332013 /nfs/dbraw/zinc/33/20/13/818332013.db2.gz NDTCEZFJRNGDLT-JOCHJYFZSA-N 1 0 378.447 4.346 20 0 GIADRO C[NH+](C)Cc1ccnc(NC(=O)Cc2csc(-c3ccc(Cl)s3)n2)c1 ZINC000176938952 823329451 /nfs/dbraw/zinc/32/94/51/823329451.db2.gz JEJCJOLFDYUMHO-UHFFFAOYSA-N 1 0 392.937 4.163 20 0 GIADRO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](Cc2cc(Cl)nc3ccccc23)C1 ZINC000188928080 823329724 /nfs/dbraw/zinc/32/97/24/823329724.db2.gz LPBXEAHESJEVFK-AWEZNQCLSA-N 1 0 375.900 4.235 20 0 GIADRO CS(=O)(=O)c1ccc([C@H](O)C[N@@H+]2CCCCC[C@@H]2/C=C/c2ccccc2)cc1 ZINC000122264438 823329833 /nfs/dbraw/zinc/32/98/33/823329833.db2.gz BACNLESRSNHRJQ-OGYWWWNNSA-N 1 0 399.556 4.082 20 0 GIADRO Cc1cc(C[NH+](C)C)cc(NC(=O)[C@H](C)Oc2ccc(Br)cc2)c1 ZINC000409865353 823329794 /nfs/dbraw/zinc/32/97/94/823329794.db2.gz RVUJRNDGYFYSJF-AWEZNQCLSA-N 1 0 391.309 4.225 20 0 GIADRO C[C@H]1C[C@H](NC(=O)Nc2ccc(F)c(F)c2F)CC[N@@H+]1Cc1ccccc1 ZINC000176948843 823332161 /nfs/dbraw/zinc/33/21/61/823332161.db2.gz CFWBFWQEZHFLGO-DZGCQCFKSA-N 1 0 377.410 4.279 20 0 GIADRO C[NH+](C)CCCC1CCN(C(=O)[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000409867643 823330375 /nfs/dbraw/zinc/33/03/75/823330375.db2.gz KSPJTTBXTZBUTO-XLIONFOSSA-N 1 0 396.934 4.137 20 0 GIADRO Fc1cccnc1N1CC[C@@H]([NH2+][C@H](c2cccc(OC(F)(F)F)c2)C2CC2)C1 ZINC000572385169 823330569 /nfs/dbraw/zinc/33/05/69/823330569.db2.gz ULFQOABWIVWANP-QAPCUYQASA-N 1 0 395.400 4.439 20 0 GIADRO Fc1cccnc1N1CC[C@H]([NH2+][C@H](c2cccc(OC(F)(F)F)c2)C2CC2)C1 ZINC000572385170 823330693 /nfs/dbraw/zinc/33/06/93/823330693.db2.gz ULFQOABWIVWANP-YJBOKZPZSA-N 1 0 395.400 4.439 20 0 GIADRO C[C@H](C[NH2+]CCC(=O)Nc1cccc(Cl)c1)c1nc(-c2ccccc2)no1 ZINC000572393667 823332268 /nfs/dbraw/zinc/33/22/68/823332268.db2.gz SOOASDKUKOPXES-CQSZACIVSA-N 1 0 384.867 4.112 20 0 GIADRO Cc1cc(Br)cc(C)c1NC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000057772967 823330887 /nfs/dbraw/zinc/33/08/87/823330887.db2.gz RVDVPNIDJYJRGN-LSDHHAIUSA-N 1 0 382.346 4.450 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)[C@H](C)C1 ZINC000122273946 823331001 /nfs/dbraw/zinc/33/10/01/823331001.db2.gz VADOBSAMUWVESH-XMSQKQJNSA-N 1 0 393.531 4.050 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1)c1ccc(-c2cccnc2)cc1 ZINC000572389446 823331345 /nfs/dbraw/zinc/33/13/45/823331345.db2.gz SFTZHCZLFJJYMF-KKSFZXQISA-N 1 0 382.891 4.493 20 0 GIADRO 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 823332474 /nfs/dbraw/zinc/33/24/74/823332474.db2.gz RTKDWOCZRRRTQZ-CRWXNKLISA-N 1 0 389.487 4.129 20 0 GIADRO C[NH+](C)Cc1cccc(C(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)c1 ZINC000122289999 823333069 /nfs/dbraw/zinc/33/30/69/823333069.db2.gz URZVJJQVTQHXNQ-HNNXBMFYSA-N 1 0 397.466 4.243 20 0 GIADRO O=C(CCSc1ccccc1F)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000057788146 823333137 /nfs/dbraw/zinc/33/31/37/823333137.db2.gz KYJATZWJSXXHAI-QGZVFWFLSA-N 1 0 376.497 4.244 20 0 GIADRO CCN(CCC[NH+](C)C)C(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1 ZINC000188954269 823333585 /nfs/dbraw/zinc/33/35/85/823333585.db2.gz NTMDPMKFINHYIB-UHFFFAOYSA-N 1 0 387.911 4.006 20 0 GIADRO CCCOc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)cc1OCCC ZINC000122294471 823333605 /nfs/dbraw/zinc/33/36/05/823333605.db2.gz HBQJQMFEQQBZJE-PKOBYXMFSA-N 1 0 376.541 4.067 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1csc(-c2ccccc2)n1 ZINC000016102265 818393155 /nfs/dbraw/zinc/39/31/55/818393155.db2.gz GNQSYJDCLACQPS-UHFFFAOYSA-N 1 0 377.513 4.336 20 0 GIADRO CSc1ccccc1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000409878702 823334019 /nfs/dbraw/zinc/33/40/19/823334019.db2.gz WXFWRURHYHYZTF-HZPDHXFCSA-N 1 0 397.544 4.213 20 0 GIADRO Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000188962737 823334647 /nfs/dbraw/zinc/33/46/47/823334647.db2.gz KMEQMWHTDPZHTR-JKSUJKDBSA-N 1 0 395.425 4.271 20 0 GIADRO CC[C@H](NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)c1nc(C)cs1 ZINC000460264203 823334695 /nfs/dbraw/zinc/33/46/95/823334695.db2.gz GZTDSUIEHMXDOD-UFYCRDLUSA-N 1 0 398.576 4.066 20 0 GIADRO COc1ccccc1[C@@H](CNC(=S)Nc1cc(C)cc(C)c1)[NH+]1CCCC1 ZINC000016241311 818409012 /nfs/dbraw/zinc/40/90/12/818409012.db2.gz NLBPURQIVMBQFF-HXUWFJFHSA-N 1 0 383.561 4.436 20 0 GIADRO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)C1 ZINC000016335270 818425804 /nfs/dbraw/zinc/42/58/04/818425804.db2.gz ZIMRKIIDDDFLRR-BFYDXBDKSA-N 1 0 387.574 4.465 20 0 GIADRO Oc1cccc(C[N@@H+](CCSc2ccc(F)cc2)[C@H]2CC[C@H](O)CC2)c1 ZINC000572421275 823336256 /nfs/dbraw/zinc/33/62/56/823336256.db2.gz ZHZUPIJJMYXHQV-WGSAOQKQSA-N 1 0 375.509 4.429 20 0 GIADRO C[NH+](C)CCc1ccc(C(=O)Nc2cc(F)cc(NCC(F)(F)F)c2)cc1 ZINC000572421756 823336462 /nfs/dbraw/zinc/33/64/62/823336462.db2.gz IUJASDCKFLVLCP-UHFFFAOYSA-N 1 0 383.389 4.156 20 0 GIADRO COCCCN(C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl)C1CC[NH+](C)CC1 ZINC000572419209 823336483 /nfs/dbraw/zinc/33/64/83/823336483.db2.gz FFEOLYAVSYNVFF-MSOLQXFVSA-N 1 0 399.362 4.056 20 0 GIADRO CCOc1ccc(NC(=O)c2ccc(NC(=O)C[N@@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000016446308 818443806 /nfs/dbraw/zinc/44/38/06/818443806.db2.gz XXFIQFNDWITMAH-KRWDZBQOSA-N 1 0 395.503 4.008 20 0 GIADRO CC[N@H+](CC(=O)N[C@@H](C)c1ccc(Br)cc1)Cc1ccccc1 ZINC000016483173 818448462 /nfs/dbraw/zinc/44/84/62/818448462.db2.gz KBZCMOYLGPSFOP-HNNXBMFYSA-N 1 0 375.310 4.148 20 0 GIADRO COc1ccc(CCCN(C)C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000057823254 823338054 /nfs/dbraw/zinc/33/80/54/823338054.db2.gz XPPBVGXIXKPSSL-BGYRXZFFSA-N 1 0 389.584 4.027 20 0 GIADRO CC(=O)CCc1ccc2oc(C(=O)NC[C@@H](c3ccccc3)[NH+](C)C)c(C)c2c1 ZINC000016599052 818458210 /nfs/dbraw/zinc/45/82/10/818458210.db2.gz KHIKTYAPRGKXOW-NRFANRHFSA-N 1 0 392.499 4.296 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Nc1cccc(-n2cccn2)c1)c1ccsc1 ZINC000057862227 823342949 /nfs/dbraw/zinc/34/29/49/823342949.db2.gz ULHKMFWQFUFPFS-LJQANCHMSA-N 1 0 383.521 4.138 20 0 GIADRO C[C@@H]1C[NH+](CCOc2ccc(CCNC(=O)c3ccoc3C3CC3)cc2)C[C@H]1C ZINC000409898298 823338989 /nfs/dbraw/zinc/33/89/89/823338989.db2.gz XYJVICIBICJONV-QZTJIDSGSA-N 1 0 396.531 4.096 20 0 GIADRO C[C@H]1C[N@H+](CCOc2ccc(CCNC(=O)c3ccoc3C3CC3)cc2)C[C@H]1C ZINC000409898296 823339088 /nfs/dbraw/zinc/33/90/88/823339088.db2.gz XYJVICIBICJONV-HDICACEKSA-N 1 0 396.531 4.096 20 0 GIADRO C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[N@H+](Cc2cc(=O)n3ccsc3n2)C1 ZINC000122331793 823339443 /nfs/dbraw/zinc/33/94/43/823339443.db2.gz QYHQDNXLUGAYRS-WBMJQRKESA-N 1 0 393.434 4.358 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc(Br)cc2)cc1 ZINC000016779852 818477503 /nfs/dbraw/zinc/47/75/03/818477503.db2.gz PLKAJLYZPAQLQR-UHFFFAOYSA-N 1 0 375.310 4.221 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)/C=C/c2ccc(Br)o2)cc1 ZINC000016779901 818477539 /nfs/dbraw/zinc/47/75/39/818477539.db2.gz JXTHMDQIULXLKR-ZRDIBKRKSA-N 1 0 391.309 4.214 20 0 GIADRO CCOc1ccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1OC ZINC000176973220 823339621 /nfs/dbraw/zinc/33/96/21/823339621.db2.gz DFUJPILDLFNJHA-XLIONFOSSA-N 1 0 397.519 4.269 20 0 GIADRO COc1ccc(-c2csc3ncnc(N4CCC([NH2+]C(C)C)CC4)c23)cc1 ZINC000057838318 823339829 /nfs/dbraw/zinc/33/98/29/823339829.db2.gz LGMBIOBFKMNXAE-UHFFFAOYSA-N 1 0 382.533 4.334 20 0 GIADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)C1 ZINC000122335449 823340085 /nfs/dbraw/zinc/34/00/85/823340085.db2.gz KMVFVXSBDYAHPE-NRSPTQNISA-N 1 0 387.568 4.107 20 0 GIADRO O=C(CCCCCc1ccc(F)cc1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000189023252 823343465 /nfs/dbraw/zinc/34/34/65/823343465.db2.gz OZCCUIPPGHCFPP-UHFFFAOYSA-N 1 0 383.511 4.104 20 0 GIADRO COc1ccc(CN2CCC[C@@H]2c2cccnc2)c(OCc2cccnc2)c1 ZINC000572444889 823340416 /nfs/dbraw/zinc/34/04/16/823340416.db2.gz JQBCKDLLQCWZHU-JOCHJYFZSA-N 1 0 375.472 4.401 20 0 GIADRO COc1ccc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)cc1F ZINC000122338722 823340525 /nfs/dbraw/zinc/34/05/25/823340525.db2.gz CKWHYZFQHZXXTF-OAHLLOKOSA-N 1 0 391.508 4.401 20 0 GIADRO Cc1cccc(NC(=O)CN2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1C ZINC000057843724 823340654 /nfs/dbraw/zinc/34/06/54/823340654.db2.gz YDGHOLXQIWYCSP-UHFFFAOYSA-N 1 0 379.548 4.086 20 0 GIADRO CCn1c(-c2cc(Cl)ccc2Cl)nnc1N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000460288689 823341311 /nfs/dbraw/zinc/34/13/11/823341311.db2.gz KFFTWRPMPQGEJD-UKRRQHHQSA-N 1 0 394.350 4.335 20 0 GIADRO CCn1c(-c2cc(Cl)ccc2Cl)nnc1N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460288686 823341356 /nfs/dbraw/zinc/34/13/56/823341356.db2.gz KFFTWRPMPQGEJD-DZGCQCFKSA-N 1 0 394.350 4.335 20 0 GIADRO CN1CCC([NH2+]Cc2cn(Cc3ccccc3Cl)nc2-c2ccccc2)CC1 ZINC000017314094 818508491 /nfs/dbraw/zinc/50/84/91/818508491.db2.gz ZNOZRFXRNCUJOA-UHFFFAOYSA-N 1 0 394.950 4.436 20 0 GIADRO Cc1cc(C)c(C[NH2+]Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1C ZINC000017317753 818509163 /nfs/dbraw/zinc/50/91/63/818509163.db2.gz BQFCYXKMLBSDHJ-UHFFFAOYSA-N 1 0 386.561 4.076 20 0 GIADRO COc1ccc(C[C@H]([NH2+]Cc2c(C)nn(C)c2C)c2ccc(OC)cc2)cc1 ZINC000017317803 818509346 /nfs/dbraw/zinc/50/93/46/818509346.db2.gz NKWXNEYJSRYKLB-QHCPKHFHSA-N 1 0 379.504 4.128 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000017362839 818512469 /nfs/dbraw/zinc/51/24/69/818512469.db2.gz KBOMWCRCTCBZPS-UHFFFAOYSA-N 1 0 387.527 4.441 20 0 GIADRO COc1cccc([C@@H](CNC(=O)Cc2coc3c2ccc(C)c3C)[NH+](C)C)c1 ZINC000017794902 818527548 /nfs/dbraw/zinc/52/75/48/818527548.db2.gz DKUPRMZVGOLOND-OAQYLSRUSA-N 1 0 380.488 4.020 20 0 GIADRO CC(C)(Cc1nc2ccccc2[nH]1)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000409913957 823342704 /nfs/dbraw/zinc/34/27/04/823342704.db2.gz ZOUIKGSFULKLIP-UHFFFAOYSA-N 1 0 390.531 4.409 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@H]2CCCc3c(O)cccc32)CC1 ZINC000189026465 823344091 /nfs/dbraw/zinc/34/40/91/823344091.db2.gz XEOQPTSUNROPCE-VGSWGCGISA-N 1 0 393.531 4.294 20 0 GIADRO O=C(CCc1nc2ccccc2s1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000018019296 818539086 /nfs/dbraw/zinc/53/90/86/818539086.db2.gz AAYPHKXRNGAGQS-LJQANCHMSA-N 1 0 379.529 4.182 20 0 GIADRO Cc1ccc(NC(=O)c2cccc(C3CCC3)c2)cc1NC(=O)CC[NH+](C)C ZINC000409921548 823344543 /nfs/dbraw/zinc/34/45/43/823344543.db2.gz HCBCIDSALIKSFM-UHFFFAOYSA-N 1 0 379.504 4.405 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2noc(-c3ccc(F)cc3F)n2)C1 ZINC000189030321 823344736 /nfs/dbraw/zinc/34/47/36/823344736.db2.gz UWHFPPAHIDXFDQ-HZPDHXFCSA-N 1 0 390.478 4.101 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(-c3ccncc3)nc3ccccc32)[C@H](C)C1 ZINC000122370684 823345184 /nfs/dbraw/zinc/34/51/84/823345184.db2.gz XDJDLYNSSSAKJO-UZUQRXQVSA-N 1 0 388.515 4.099 20 0 GIADRO CC(C)CC[NH+]1CCC(CNC(=O)Nc2cccc(NC(=O)C(C)C)c2)CC1 ZINC000176995495 823345470 /nfs/dbraw/zinc/34/54/70/823345470.db2.gz GXAGSLGSGAGCSY-UHFFFAOYSA-N 1 0 388.556 4.161 20 0 GIADRO CCOc1cc(C[NH2+]Cc2ccc(OC(C)C)nc2)cc(Br)c1O ZINC000572470891 823345731 /nfs/dbraw/zinc/34/57/31/823345731.db2.gz YLMYOEUAFZLLBN-UHFFFAOYSA-N 1 0 395.297 4.025 20 0 GIADRO C[C@@H](NC(=O)c1cnccc1Oc1ccccc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000409943381 823349412 /nfs/dbraw/zinc/34/94/12/823349412.db2.gz PJBNBGICJQANJT-VGSWGCGISA-N 1 0 375.472 4.295 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C)c1ccc([S@@](C)=O)cc1 ZINC000122378873 823346489 /nfs/dbraw/zinc/34/64/89/823346489.db2.gz RKZMBXNIWJXFME-JGXOXHOZSA-N 1 0 394.581 4.158 20 0 GIADRO COc1ccccc1[C@]1(C)C[C@H]1NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000572479576 823347296 /nfs/dbraw/zinc/34/72/96/823347296.db2.gz VHGFNZLMKXIMSQ-WPYKKVEZSA-N 1 0 379.504 4.096 20 0 GIADRO Cc1nc(-c2ccccc2)ccc1C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000057914365 823347797 /nfs/dbraw/zinc/34/77/97/823347797.db2.gz GDOVXWKVUJBRFW-OAQYLSRUSA-N 1 0 375.472 4.217 20 0 GIADRO CCOc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2c2ccc(OCC)cc2)cc1 ZINC000057947000 823349889 /nfs/dbraw/zinc/34/98/89/823349889.db2.gz HEXQEADPJFJSSV-CVDCTZTESA-N 1 0 385.504 4.061 20 0 GIADRO CC[C@@H](Cc1ccccc1)[NH2+]CCC(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000572511716 823351715 /nfs/dbraw/zinc/35/17/15/823351715.db2.gz MUOQRYMMOLSCEG-INIZCTEOSA-N 1 0 390.911 4.297 20 0 GIADRO CC[C@H](Cc1ccccc1)[NH2+]CCC(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000572511717 823351844 /nfs/dbraw/zinc/35/18/44/823351844.db2.gz MUOQRYMMOLSCEG-MRXNPFEDSA-N 1 0 390.911 4.297 20 0 GIADRO O[C@@H](C[NH2+]Cc1ccc(CSC(F)F)o1)c1ccc(OC(F)(F)F)cc1 ZINC000057974329 823351994 /nfs/dbraw/zinc/35/19/94/823351994.db2.gz QYBLZNLZQZFZPJ-AWEZNQCLSA-N 1 0 397.365 4.457 20 0 GIADRO COc1cc(C[NH2+]C2CCN(CC(F)F)CC2)c(-c2ccccc2)cc1OC ZINC000057978056 823352283 /nfs/dbraw/zinc/35/22/83/823352283.db2.gz DWERFUDWPSGNKU-UHFFFAOYSA-N 1 0 390.474 4.190 20 0 GIADRO COc1ccc(C[NH2+]C2CCN(CC(F)F)CC2)cc1OCc1ccccc1 ZINC000057978727 823352795 /nfs/dbraw/zinc/35/27/95/823352795.db2.gz GKWHYAPJKMHZSZ-UHFFFAOYSA-N 1 0 390.474 4.093 20 0 GIADRO Cc1ccc([C@@H](NCc2ccncc2OCC[NH+](C)C)c2ccccc2)cc1 ZINC000572519770 823352942 /nfs/dbraw/zinc/35/29/42/823352942.db2.gz MFFWSYCVXBBWPA-DEOSSOPVSA-N 1 0 375.516 4.210 20 0 GIADRO Fc1ccc(Cn2cc(C[NH2+]C[C@@H]3CCCO[C@H]3c3ccccc3)cn2)cc1 ZINC000189080695 823353935 /nfs/dbraw/zinc/35/39/35/823353935.db2.gz HBHCMUZPNWOVNL-GMAHTHKFSA-N 1 0 379.479 4.328 20 0 GIADRO O=C(CC[NH+]1CCC(OC2CCCC2)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000177031430 823354642 /nfs/dbraw/zinc/35/46/42/823354642.db2.gz FETGWRIKFZAESF-UHFFFAOYSA-N 1 0 384.442 4.458 20 0 GIADRO Cc1ccccc1NC(=O)[C@H](C)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000057958367 823350371 /nfs/dbraw/zinc/35/03/71/823350371.db2.gz MQZFAJGSNALZPN-SFHVURJKSA-N 1 0 383.561 4.025 20 0 GIADRO Cc1ccc(NC(=O)[C@H](C)Nc2ccc(CC[NH+]3CCSCC3)cc2)c(C)c1 ZINC000057958327 823350462 /nfs/dbraw/zinc/35/04/62/823350462.db2.gz WEWMHXYSYWMCAK-IBGZPJMESA-N 1 0 397.588 4.334 20 0 GIADRO C[C@H]([NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccc2ccccc2c1O ZINC000189060393 823350561 /nfs/dbraw/zinc/35/05/61/823350561.db2.gz YJUXAMPNOQYSFK-BTYIYWSLSA-N 1 0 378.447 4.136 20 0 GIADRO CC(C)c1noc2ncc(C(=O)NCc3ccccc3C[NH+]3CCCCC3)cc21 ZINC000021410774 818684520 /nfs/dbraw/zinc/68/45/20/818684520.db2.gz GOIBQFFODJTARM-UHFFFAOYSA-N 1 0 392.503 4.262 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cnc(-c3ccccc3Cl)s2)[C@H](C)C1 ZINC000122449937 823355909 /nfs/dbraw/zinc/35/59/09/823355909.db2.gz JOMJBBUVASQLPH-CZUORRHYSA-N 1 0 377.941 4.266 20 0 GIADRO CCC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(NC(C)=O)cc2C(F)(F)F)C1 ZINC000177039201 823356614 /nfs/dbraw/zinc/35/66/14/823356614.db2.gz SYVNPUGHYJSOLD-AWEZNQCLSA-N 1 0 385.430 4.114 20 0 GIADRO CS[C@@H]1CN(Cc2cc(-c3ccc(Cl)cc3)no2)C[C@@H]1[NH+]1CCCC1 ZINC000460350938 823361051 /nfs/dbraw/zinc/36/10/51/823361051.db2.gz YCRFNJQMVSFYIX-RBUKOAKNSA-N 1 0 377.941 4.007 20 0 GIADRO C[C@@H](Oc1ccccc1NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)C(F)(F)F ZINC000572559227 823361079 /nfs/dbraw/zinc/36/10/79/823361079.db2.gz APFVWCURHAACGK-HUUCEWRRSA-N 1 0 385.430 4.108 20 0 GIADRO O=C(C1CC[NH+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1)N1CCCC1 ZINC000122460416 823357676 /nfs/dbraw/zinc/35/76/76/823357676.db2.gz BUSSVCCDGPZXOG-UHFFFAOYSA-N 1 0 395.330 4.104 20 0 GIADRO C[NH+](C)[C@H]1CCOc2c(NC(=O)c3cc(-c4cccc(F)c4)no3)cccc21 ZINC000572544041 823357704 /nfs/dbraw/zinc/35/77/04/823357704.db2.gz LKHKVWHMXCNSAK-SFHVURJKSA-N 1 0 381.407 4.118 20 0 GIADRO CC(C)c1c(C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cnn1-c1ccc(Cl)cc1 ZINC000177043602 823357852 /nfs/dbraw/zinc/35/78/52/823357852.db2.gz HTGMSAGQXQQLLL-HOCLYGCPSA-N 1 0 386.927 4.004 20 0 GIADRO O[C@@H](C[C@@H]1CCC[N@@H+]1Cc1nc(-c2ccccc2F)no1)c1ccc(F)cc1 ZINC000189126546 823361232 /nfs/dbraw/zinc/36/12/32/823361232.db2.gz GFZKMUBBHYZDLH-LPHOPBHVSA-N 1 0 385.414 4.103 20 0 GIADRO COc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000021673114 818723865 /nfs/dbraw/zinc/72/38/65/818723865.db2.gz XMGOFBAXVTXMFO-HXUWFJFHSA-N 1 0 396.487 4.022 20 0 GIADRO C[C@@H]1CN(C(=O)N[C@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)CCC1(F)F ZINC000460339979 823358263 /nfs/dbraw/zinc/35/82/63/823358263.db2.gz QYRKCHAYXQJJAM-VQIMIIECSA-N 1 0 393.522 4.146 20 0 GIADRO Cc1ccc(C[NH2+]Cc2ccc(C)cc2-c2ccnn2C)c(O[C@@H]2CCOC2)c1 ZINC000572544688 823358290 /nfs/dbraw/zinc/35/82/90/823358290.db2.gz NOVYTTJBWWWKII-OAQYLSRUSA-N 1 0 391.515 4.161 20 0 GIADRO COCCC1(C[NH2+]Cc2ccc(NC(=O)c3cccnc3)cc2)CCCCC1 ZINC000189105542 823358338 /nfs/dbraw/zinc/35/83/38/823358338.db2.gz PKFOGDOEHNUJKH-UHFFFAOYSA-N 1 0 381.520 4.411 20 0 GIADRO Cc1nn(-c2ccccc2)c2sc(C(=O)NC[C@H]3CCC[N@@H+](C(C)C)C3)cc12 ZINC000409976164 823359731 /nfs/dbraw/zinc/35/97/31/823359731.db2.gz JNBBYYZRADKXMK-QGZVFWFLSA-N 1 0 396.560 4.246 20 0 GIADRO O=C(N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)C1(C(F)F)CCCC1 ZINC000572560317 823360771 /nfs/dbraw/zinc/36/07/71/823360771.db2.gz OOEHAFCLQPBIHB-OAHLLOKOSA-N 1 0 390.396 4.221 20 0 GIADRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cccnc2Sc2ccc(C)c(C)c2)C1 ZINC000409983507 823362155 /nfs/dbraw/zinc/36/21/55/823362155.db2.gz HIYPRPBQEFCMIS-SFHVURJKSA-N 1 0 383.561 4.311 20 0 GIADRO C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000189136692 823363125 /nfs/dbraw/zinc/36/31/25/823363125.db2.gz VPMMZRJHHVGHSK-DVECYGJZSA-N 1 0 392.543 4.495 20 0 GIADRO Cc1cccc(-c2noc(CN[C@H]3[C@H](C)C[N@@H+](Cc4ccccc4)C[C@@H]3C)n2)c1 ZINC000460358854 823363301 /nfs/dbraw/zinc/36/33/01/823363301.db2.gz MNBXLYBALAOIIR-MOJGAOKDSA-N 1 0 390.531 4.291 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)c2cc(C)n(-c3cc(C)on3)c2C)cc1 ZINC000022311963 818793307 /nfs/dbraw/zinc/79/33/07/818793307.db2.gz UYJCKCCFEXTAFK-UHFFFAOYSA-N 1 0 394.519 4.162 20 0 GIADRO CC(C)C[C@H](CNC(=O)N1CCC(F)(F)[C@@H](C)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000460362921 823364133 /nfs/dbraw/zinc/36/41/33/823364133.db2.gz HAZPHWBHNLCVST-JENIJYKNSA-N 1 0 381.511 4.439 20 0 GIADRO CCCN(CC[NH+]1CCCCCC1)C(=O)NCc1csc(-c2ccco2)n1 ZINC000460365031 823364723 /nfs/dbraw/zinc/36/47/23/823364723.db2.gz MZXRBPXDZUDCRX-UHFFFAOYSA-N 1 0 390.553 4.201 20 0 GIADRO CC[N@@H+]1C[C@@H](C)N(C(=O)C(C)(C)c2csc(-c3cccs3)n2)C[C@@H]1C ZINC000409991635 823364741 /nfs/dbraw/zinc/36/47/41/823364741.db2.gz JKPCPCHYFXERLO-UONOGXRCSA-N 1 0 377.579 4.090 20 0 GIADRO O=C(CCSc1ccc(F)cc1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000022444239 818807108 /nfs/dbraw/zinc/80/71/08/818807108.db2.gz MHNNUCNZMLAMOH-GOSISDBHSA-N 1 0 376.497 4.244 20 0 GIADRO CC[N@@H+]1C[C@H](C)N(C(=O)C(C)(C)c2csc(-c3cccs3)n2)C[C@H]1C ZINC000409991633 823364944 /nfs/dbraw/zinc/36/49/44/823364944.db2.gz JKPCPCHYFXERLO-KGLIPLIRSA-N 1 0 377.579 4.090 20 0 GIADRO C[C@H](Sc1nc2ccccc2o1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000022455639 818809034 /nfs/dbraw/zinc/80/90/34/818809034.db2.gz ZEASNFQWKRKPKI-INIZCTEOSA-N 1 0 395.528 4.089 20 0 GIADRO C[C@H](NC(=O)C[NH+]1CCC([C@@H]2CCCO2)CC1)c1ccc(Cl)cc1Cl ZINC000189147826 823365218 /nfs/dbraw/zinc/36/52/18/823365218.db2.gz PKKQNGIZKRMQIF-UGSOOPFHSA-N 1 0 385.335 4.062 20 0 GIADRO O=[S@](CC[NH2+]C1(c2cccc(C(F)(F)F)c2)CCOCC1)c1ccccc1 ZINC000572587552 823365806 /nfs/dbraw/zinc/36/58/06/823365806.db2.gz VTPAAVKMASWXTO-HHHXNRCGSA-N 1 0 397.462 4.109 20 0 GIADRO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000572592279 823366612 /nfs/dbraw/zinc/36/66/12/823366612.db2.gz BNQPSHRMPNNYPH-KFZJALRRSA-N 1 0 385.335 4.336 20 0 GIADRO COc1ccc(NC(=O)[C@@H]([NH2+][C@H](CCO)C(C)C)c2ccccc2)cc1Cl ZINC000460352963 823361661 /nfs/dbraw/zinc/36/16/61/823361661.db2.gz OQUGELDOOBKFDB-QUCCMNQESA-N 1 0 390.911 4.025 20 0 GIADRO CCc1ccc([C@@H](CNC(=O)CCc2ncc(-c3ccccc3)o2)[NH+](C)C)cc1 ZINC000022684673 818843829 /nfs/dbraw/zinc/84/38/29/818843829.db2.gz MMPDEVTVJCNVBV-OAQYLSRUSA-N 1 0 391.515 4.256 20 0 GIADRO Cc1cccc(NC(=O)N2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1Cl ZINC000177089437 823368625 /nfs/dbraw/zinc/36/86/25/823368625.db2.gz BIPRCLQMFRKFGM-IAGOWNOFSA-N 1 0 393.959 4.392 20 0 GIADRO CCCN(CC[NH+](C)C)C(=O)c1cn(C(C)(C)C)nc1-c1ccccc1Cl ZINC000460376099 823368691 /nfs/dbraw/zinc/36/86/91/823368691.db2.gz RJDPOXSPGFNNOL-UHFFFAOYSA-N 1 0 390.959 4.372 20 0 GIADRO COc1ccc(CCC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000410004537 823368914 /nfs/dbraw/zinc/36/89/14/823368914.db2.gz RDUFZDCZDMPANB-UHFFFAOYSA-N 1 0 380.532 4.320 20 0 GIADRO COc1cc(C[NH2+]CCc2ccccc2F)ccc1OCc1c(C)noc1C ZINC000022791123 818861407 /nfs/dbraw/zinc/86/14/07/818861407.db2.gz QEABJYVGBWYMFQ-UHFFFAOYSA-N 1 0 384.451 4.350 20 0 GIADRO CCCNC(=S)C(C(=O)c1ccc(F)cc1F)[n+]1ccc(CCC)cc1 ZINC000022805043 818862916 /nfs/dbraw/zinc/86/29/16/818862916.db2.gz NMKRKPFDQDELPV-UHFFFAOYSA-O 1 0 377.480 4.143 20 0 GIADRO CCCNC(=S)C(C(=O)c1ccc2c(c1)CCC2)[n+]1ccc(CCC)cc1 ZINC000022805403 818863162 /nfs/dbraw/zinc/86/31/62/818863162.db2.gz HOFFHPNZHRLGEY-UHFFFAOYSA-O 1 0 381.565 4.354 20 0 GIADRO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C2CCN(C3CC3)CC2)o1 ZINC000022820531 818864090 /nfs/dbraw/zinc/86/40/90/818864090.db2.gz ATDCXOYFXJYYKV-UHFFFAOYSA-N 1 0 376.504 4.157 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1ccccc1NC(=O)c1cccs1)c1ccccc1 ZINC000022870260 818868573 /nfs/dbraw/zinc/86/85/73/818868573.db2.gz GXQLEXUUMMSUDW-IBGZPJMESA-N 1 0 393.512 4.033 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1ccccc1NC(=O)c1cccs1)c1ccccc1 ZINC000022870265 818868665 /nfs/dbraw/zinc/86/86/65/818868665.db2.gz GXQLEXUUMMSUDW-LJQANCHMSA-N 1 0 393.512 4.033 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccccc1OC[C@@H]1CCCO1 ZINC000022872430 818869024 /nfs/dbraw/zinc/86/90/24/818869024.db2.gz CVBDJGBJJAYKNW-NRFANRHFSA-N 1 0 396.531 4.016 20 0 GIADRO CC[C@@H](CC(=O)Nc1ccnn1C1CC[NH+](CC)CC1)c1ccc(OC)cc1 ZINC000122549006 823370660 /nfs/dbraw/zinc/37/06/60/823370660.db2.gz XIUARAVDHJHCFE-KRWDZBQOSA-N 1 0 384.524 4.071 20 0 GIADRO CC[C@H](CC(=O)Nc1ccnn1C1CC[NH+](CC)CC1)c1ccc(OC)cc1 ZINC000122549232 823370784 /nfs/dbraw/zinc/37/07/84/823370784.db2.gz XIUARAVDHJHCFE-QGZVFWFLSA-N 1 0 384.524 4.071 20 0 GIADRO CC[C@@H]1Oc2cc([C@H](C)[NH2+][C@@H]3CCc4c3ccc(OC)c4F)ccc2NC1=O ZINC000572625803 823371248 /nfs/dbraw/zinc/37/12/48/823371248.db2.gz WTRGNUZPVHVWEO-XZOAIXRZSA-N 1 0 384.451 4.282 20 0 GIADRO C[NH+](C)CCCOC1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1 ZINC000177100881 823371304 /nfs/dbraw/zinc/37/13/04/823371304.db2.gz CIELWXNGXZUFSL-UHFFFAOYSA-N 1 0 394.559 4.168 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)CCSc2ccnc3cc(Cl)ccc32)C[N@@H+]1C1CC1 ZINC000177102912 823371676 /nfs/dbraw/zinc/37/16/76/823371676.db2.gz RTJDIUUJEWKQMF-UKRRQHHQSA-N 1 0 389.952 4.112 20 0 GIADRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)Nc1cccc(Cl)c1)c1ccccc1O2 ZINC000023151878 818904406 /nfs/dbraw/zinc/90/44/06/818904406.db2.gz KXLNBHKGZQGIBV-SFHVURJKSA-N 1 0 385.895 4.450 20 0 GIADRO CC[NH+](CC)CCOc1ccc(CNC(=O)Cc2cccc3ccccc32)cc1 ZINC000058256836 823371932 /nfs/dbraw/zinc/37/19/32/823371932.db2.gz QJFXAJAJXHDHNP-UHFFFAOYSA-N 1 0 390.527 4.419 20 0 GIADRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)Nc1ccc(Cl)cc1)c1ccccc1O2 ZINC000023186879 818905557 /nfs/dbraw/zinc/90/55/57/818905557.db2.gz XFPUASIGQNNYEF-SFHVURJKSA-N 1 0 385.895 4.450 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)CCc1c[nH]c2ccccc12)Cc1ccccc1 ZINC000023197053 818907630 /nfs/dbraw/zinc/90/76/30/818907630.db2.gz PGXXKENNPBFHHA-OAQYLSRUSA-N 1 0 377.532 4.170 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000023229011 818914565 /nfs/dbraw/zinc/91/45/65/818914565.db2.gz DHVIXQSMWRBZIC-UHFFFAOYSA-N 1 0 392.330 4.317 20 0 GIADRO COc1cc(Br)ccc1C[NH2+]Cc1c(C)nc2sc(C)cn21 ZINC000189188152 823372826 /nfs/dbraw/zinc/37/28/26/823372826.db2.gz IQXTXAVBFSUPPA-UHFFFAOYSA-N 1 0 380.311 4.074 20 0 GIADRO CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CC=CC[C@@H]2c2nc3ccccc3s2)C1 ZINC000058275677 823373963 /nfs/dbraw/zinc/37/39/63/823373963.db2.gz BBPPMZLWMUAFAP-SQNIBIBYSA-N 1 0 383.561 4.194 20 0 GIADRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cc(C3CC3)nc3onc(CC(C)(C)C)c32)C1 ZINC000058275260 823374069 /nfs/dbraw/zinc/37/40/69/823374069.db2.gz UOSBRDNGLKRXQV-OAHLLOKOSA-N 1 0 398.551 4.151 20 0 GIADRO C[C@H]1CN(C(=O)NCc2ccccc2C[NH+]2CCCC2)C[C@H](c2ccsc2)O1 ZINC000177114557 823374626 /nfs/dbraw/zinc/37/46/26/823374626.db2.gz YUFQZSUSZINBPQ-LAUBAEHRSA-N 1 0 399.560 4.016 20 0 GIADRO COc1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)c(Cl)c1OC ZINC000572647097 823374923 /nfs/dbraw/zinc/37/49/23/823374923.db2.gz ZWLKIQXHACNAHR-GUDVDZBRSA-N 1 0 387.907 4.362 20 0 GIADRO COc1ccc([C@H](CNC(=O)[C@H](C)Sc2ccc(C)cc2)[NH+]2CCCC2)cc1 ZINC000023487200 818946047 /nfs/dbraw/zinc/94/60/47/818946047.db2.gz NIUDTFXOVFGSLH-AVRDEDQJSA-N 1 0 398.572 4.438 20 0 GIADRO CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CCC(=O)Nc1cccc(OC)c1 ZINC000177119519 823375957 /nfs/dbraw/zinc/37/59/57/823375957.db2.gz PIRZXNGBODYFJL-NRFANRHFSA-N 1 0 392.503 4.231 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1ccccc1NCc1cccnc1)c1ccco1 ZINC000177121288 823376289 /nfs/dbraw/zinc/37/62/89/823376289.db2.gz DEKFGKWCMAPWGC-OAQYLSRUSA-N 1 0 392.503 4.100 20 0 GIADRO CCc1ccc([C@H](CNC(=O)N2C[C@@H](C)O[C@H](c3ccccc3)C2)[NH+](C)C)cc1 ZINC000410036557 823376366 /nfs/dbraw/zinc/37/63/66/823376366.db2.gz FDCNJWDNUOETGU-LEOXJPRUSA-N 1 0 395.547 4.023 20 0 GIADRO C[C@@H]([NH2+]C[C@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1)c1ccccn1 ZINC000023675565 818972431 /nfs/dbraw/zinc/97/24/31/818972431.db2.gz WTHNXQFSBBVJDA-IERDGZPVSA-N 1 0 398.453 4.178 20 0 GIADRO CC(=O)CCc1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccc3c(c2)CCCC3)cc1 ZINC000023677176 818972520 /nfs/dbraw/zinc/97/25/20/818972520.db2.gz VIPIJZFOBNKNJR-DVECYGJZSA-N 1 0 395.543 4.178 20 0 GIADRO Oc1cc(C[N@H+](Cc2ccc(-n3cncn3)cc2)C2CC2)cc(C(F)(F)F)c1 ZINC000572657147 823376969 /nfs/dbraw/zinc/37/69/69/823376969.db2.gz XMLAUYWGLBBJMO-UHFFFAOYSA-N 1 0 388.393 4.156 20 0 GIADRO Cc1cc(C)n(-c2ccc(C(=O)NC[C@@H](c3ccccc3)[NH+]3CCCC3)cc2)n1 ZINC000023738368 818977136 /nfs/dbraw/zinc/97/71/36/818977136.db2.gz RYYKFLLFGNRKBB-QHCPKHFHSA-N 1 0 388.515 4.056 20 0 GIADRO O=C(Cc1ccc(C(F)(F)F)cc1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000023741348 818977891 /nfs/dbraw/zinc/97/78/91/818977891.db2.gz IKIJFRAEUBNBLM-LJQANCHMSA-N 1 0 376.422 4.201 20 0 GIADRO CCc1sc(C(=O)NC2CC[NH+](C3CCCC3)CC2)cc1Br ZINC000572667743 823378871 /nfs/dbraw/zinc/37/88/71/823378871.db2.gz KFCZMXQMRSLHAG-UHFFFAOYSA-N 1 0 385.371 4.210 20 0 GIADRO CN(C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000572669173 823379144 /nfs/dbraw/zinc/37/91/44/823379144.db2.gz MQEDQNUNGXFQHC-OTWHNJEPSA-N 1 0 382.470 4.478 20 0 GIADRO COc1cccc([C@@H]2CCC[N@@H+]2CCCC(=O)Nc2ccccc2C(C)=O)c1 ZINC000572673331 823379864 /nfs/dbraw/zinc/37/98/64/823379864.db2.gz DNTANKMJOMSXJL-QFIPXVFZSA-N 1 0 380.488 4.454 20 0 GIADRO Cn1c2ccccc2c2cc(C(=O)NCc3ccccc3C[NH+](C)C)sc21 ZINC000024083852 819021066 /nfs/dbraw/zinc/02/10/66/819021066.db2.gz BMUUFSBHJSJKPH-UHFFFAOYSA-N 1 0 377.513 4.385 20 0 GIADRO Cc1ccc(-c2cc(C(=O)N3CCN(c4cc[nH+]cc4)CC3)c3ccccc3n2)o1 ZINC000024085886 819021326 /nfs/dbraw/zinc/02/13/26/819021326.db2.gz XDNSBETXTHFNMG-UHFFFAOYSA-N 1 0 398.466 4.161 20 0 GIADRO COc1ccc([C@H](C)[NH2+]C[C@H](O)COc2ccc(C(C)(C)C)cc2)cc1F ZINC000024102415 819023886 /nfs/dbraw/zinc/02/38/86/819023886.db2.gz OPIWAXGYLFEJMP-YJBOKZPZSA-N 1 0 375.484 4.222 20 0 GIADRO COCCCOc1cccc(NC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)c1 ZINC000177140257 823380900 /nfs/dbraw/zinc/38/09/00/823380900.db2.gz ZVBNGQSXYJDGJF-QFIPXVFZSA-N 1 0 397.519 4.061 20 0 GIADRO COc1ccc(-c2cnc(C[N@H+](CCc3ccccc3)[C@@H]3CCOC3)o2)cc1 ZINC000177146439 823382266 /nfs/dbraw/zinc/38/22/66/823382266.db2.gz AJDLBUFQQRZTIO-HXUWFJFHSA-N 1 0 378.472 4.184 20 0 GIADRO CCc1c(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cnn1-c1cccc(Cl)c1 ZINC000024544030 819068945 /nfs/dbraw/zinc/06/89/45/819068945.db2.gz WSJLZGNRFUDZOK-NRFANRHFSA-N 1 0 396.922 4.121 20 0 GIADRO O[C@H](C[N@H+](CCc1nc(-c2ccccc2)no1)Cc1ccccc1)c1ccco1 ZINC000177153710 823385121 /nfs/dbraw/zinc/38/51/21/823385121.db2.gz LBIMLRYHZJKXJN-HXUWFJFHSA-N 1 0 389.455 4.108 20 0 GIADRO Cc1ccc(C)c(OCCC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000058399481 823386236 /nfs/dbraw/zinc/38/62/36/823386236.db2.gz VXIKNPZIFNAZMO-UHFFFAOYSA-N 1 0 380.532 4.162 20 0 GIADRO Brc1c2ccccc2[nH]c1-c1nc(CC23CCC[NH+]2CCC3)no1 ZINC000572707432 823386295 /nfs/dbraw/zinc/38/62/95/823386295.db2.gz RKKYNAXFXYEKFM-UHFFFAOYSA-N 1 0 387.281 4.151 20 0 GIADRO CSc1ccccc1[C@@H](C)NC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000410084423 823386821 /nfs/dbraw/zinc/38/68/21/823386821.db2.gz DYQUUQNGSBOPMO-QUCCMNQESA-N 1 0 397.588 4.333 20 0 GIADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)CCc1ncc(-c2ccccc2F)o1)c1ccco1 ZINC000572709263 823386852 /nfs/dbraw/zinc/38/68/52/823386852.db2.gz XKEHNBBHHRCYDD-YJBOKZPZSA-N 1 0 399.466 4.252 20 0 GIADRO O=C(Nc1ccc2nc(C3CC3)oc2c1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000177167766 823389176 /nfs/dbraw/zinc/38/91/76/823389176.db2.gz IBCNPACWLQAFKK-UHFFFAOYSA-N 1 0 390.487 4.445 20 0 GIADRO COCCC1(C[NH2+]C[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2)CCCCC1 ZINC000189287585 823387367 /nfs/dbraw/zinc/38/73/67/823387367.db2.gz FMJLOZYGLCOBSD-IBGZPJMESA-N 1 0 390.568 4.107 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H](C)CCc1cccn1C ZINC000122648532 823387580 /nfs/dbraw/zinc/38/75/80/823387580.db2.gz LJNMYKKGUJDAAN-GJZGRUSLSA-N 1 0 377.916 4.015 20 0 GIADRO C[C@@H]([NH2+]Cc1cnn(Cc2ccc(F)cc2)c1)c1ccccc1-n1cccn1 ZINC000189295589 823389383 /nfs/dbraw/zinc/38/93/83/823389383.db2.gz KKTHZDHQPZCKCE-QGZVFWFLSA-N 1 0 375.451 4.107 20 0 GIADRO C[C@@H](CCc1cccn1C)[NH2+][C@@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000122650941 823388168 /nfs/dbraw/zinc/38/81/68/823388168.db2.gz RQSTXXIXMXSDIJ-IRXDYDNUSA-N 1 0 375.944 4.026 20 0 GIADRO Cc1cc(C)n([C@H](C)CC(=O)N[C@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)n1 ZINC000410107441 823393798 /nfs/dbraw/zinc/39/37/98/823393798.db2.gz VINYQFIRSYCTPF-DENIHFKCSA-N 1 0 396.579 4.040 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)NCC2CCC(F)(F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000410102384 823392331 /nfs/dbraw/zinc/39/23/31/823392331.db2.gz BVLMOEKNVJTRBG-VQIMIIECSA-N 1 0 379.495 4.164 20 0 GIADRO CCc1noc(C)c1C[NH2+]C[C@@H](O)CO[C@H](c1ccccc1)c1ccccc1C ZINC000572751760 823392794 /nfs/dbraw/zinc/39/27/94/823392794.db2.gz SYWKBMKDZCHPNG-HYBUGGRVSA-N 1 0 394.515 4.111 20 0 GIADRO CCc1noc(C)c1C[NH2+]C[C@H](O)CO[C@@H](c1ccccc1)c1ccccc1C ZINC000572751761 823392951 /nfs/dbraw/zinc/39/29/51/823392951.db2.gz SYWKBMKDZCHPNG-RDPSFJRHSA-N 1 0 394.515 4.111 20 0 GIADRO C[C@@H](CSc1nnc(Nc2ccc(OC(F)(F)F)cc2)s1)[NH+](C)C ZINC000460438848 823389527 /nfs/dbraw/zinc/38/95/27/823389527.db2.gz VNECHJCORHGFQN-VIFPVBQESA-N 1 0 378.445 4.223 20 0 GIADRO O=C(c1c[nH]cc1-c1ccccc1)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000572729119 823389857 /nfs/dbraw/zinc/38/98/57/823389857.db2.gz PNTNRSXJLCDPTN-VWLOTQADSA-N 1 0 385.511 4.420 20 0 GIADRO O=C(CC1([NH+]2CCOCC2)CCCC1)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000460440109 823390121 /nfs/dbraw/zinc/39/01/21/823390121.db2.gz OSIQVKZRHJJZFH-UHFFFAOYSA-N 1 0 390.499 4.121 20 0 GIADRO Cc1cc(Cl)c(NC(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1Cl ZINC000572732685 823390140 /nfs/dbraw/zinc/39/01/40/823390140.db2.gz LZZMYIDMASMBLX-CQSZACIVSA-N 1 0 386.323 4.020 20 0 GIADRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)N[C@H](C)c2ccc3ncsc3c2)cc1 ZINC000572739081 823390879 /nfs/dbraw/zinc/39/08/79/823390879.db2.gz PSQSMAFAGZJVFE-RDTXWAMCSA-N 1 0 382.533 4.480 20 0 GIADRO CC(C)Cc1nnc(N2CCC[C@H]([NH+]3CCCC3)CC2)n1CCc1ccccc1 ZINC000460444614 823391392 /nfs/dbraw/zinc/39/13/92/823391392.db2.gz DZYUOAHLNLEODK-QFIPXVFZSA-N 1 0 395.595 4.174 20 0 GIADRO CCOc1cc(C[NH2+]CCc2nc(C)c(C)s2)ccc1OCC(F)(F)F ZINC000122684093 823394286 /nfs/dbraw/zinc/39/42/86/823394286.db2.gz IGDUXDZOFASLHH-UHFFFAOYSA-N 1 0 388.455 4.432 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCC1CCC(F)(F)CC1 ZINC000410109917 823394311 /nfs/dbraw/zinc/39/43/11/823394311.db2.gz RTIGCIQIDOQCBG-APWZRJJASA-N 1 0 379.495 4.022 20 0 GIADRO C[C@H](CNC(=O)c1oc2ccccc2c1C[NH+](C)C)Oc1cccc(Cl)c1 ZINC000460455650 823395390 /nfs/dbraw/zinc/39/53/90/823395390.db2.gz PAXHJSMGHBQLJV-CQSZACIVSA-N 1 0 386.879 4.345 20 0 GIADRO O=C(c1ccoc1C(F)(F)F)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000572772301 823396108 /nfs/dbraw/zinc/39/61/08/823396108.db2.gz QXCDZDLVLYIDBD-HXUWFJFHSA-N 1 0 392.421 4.427 20 0 GIADRO Clc1ccc(-c2nnc(CN3CCC(C[NH+]4CCCCCC4)CC3)o2)cc1 ZINC000058470704 823396425 /nfs/dbraw/zinc/39/64/25/823396425.db2.gz KJOKEGAXNRPLOO-UHFFFAOYSA-N 1 0 388.943 4.478 20 0 GIADRO CC[C@H]([NH2+][C@@H]1CCC[C@@H](N2CCCC2=O)C1)c1ccc(Br)cc1 ZINC000572781568 823397895 /nfs/dbraw/zinc/39/78/95/823397895.db2.gz URFCHXWWJHECFY-KURKYZTESA-N 1 0 379.342 4.423 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)c2ccc(F)c(F)c2F)CC[N@@H+]1Cc1ccccc1 ZINC000177223687 823403504 /nfs/dbraw/zinc/40/35/04/823403504.db2.gz SFYDKEXZHGWIJG-HOCLYGCPSA-N 1 0 376.422 4.229 20 0 GIADRO COCCC1(C[NH2+]Cc2ccc(COC3CCOCC3)cc2)CCCCC1 ZINC000189354501 823399685 /nfs/dbraw/zinc/39/96/85/823399685.db2.gz ARZFXLCOVPCRRM-UHFFFAOYSA-N 1 0 375.553 4.459 20 0 GIADRO CC(C)Cn1cc(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)c2ccccc21 ZINC000058497499 823400464 /nfs/dbraw/zinc/40/04/64/823400464.db2.gz ONBRCCXEIYSXJD-UHFFFAOYSA-N 1 0 390.531 4.087 20 0 GIADRO C[C@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C(F)(F)F)cc1 ZINC000410146723 823401281 /nfs/dbraw/zinc/40/12/81/823401281.db2.gz BQQPFSKLVDBLKO-HNAYVOBHSA-N 1 0 391.437 4.340 20 0 GIADRO Cc1cc([C@H](C)NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)ccc1F ZINC000460481678 823403841 /nfs/dbraw/zinc/40/38/41/823403841.db2.gz ZAVPXIIUBRJZFW-YUXAGFNASA-N 1 0 395.522 4.359 20 0 GIADRO Cc1cc(C)cc(OCCC[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)c1 ZINC000058505849 823401707 /nfs/dbraw/zinc/40/17/07/823401707.db2.gz WYSPNQCNADLTFT-FQEVSTJZSA-N 1 0 382.552 4.270 20 0 GIADRO Cc1ccc([C@H](C)NC(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1F ZINC000460476557 823402156 /nfs/dbraw/zinc/40/21/56/823402156.db2.gz CATFUOAPOOSJHW-VLCRHTCISA-N 1 0 395.522 4.359 20 0 GIADRO Cc1ccc2ncc(C[NH2+][C@@H](C)[C@H](OC3CCOCC3)c3ccccc3)n2c1 ZINC000122733047 823402342 /nfs/dbraw/zinc/40/23/42/823402342.db2.gz GFGBNSPIVWYSRQ-MBSDFSHPSA-N 1 0 379.504 4.058 20 0 GIADRO CSC1(C[NH+]2CCN([C@@H](C)c3nc(-c4ccc(C)cc4)no3)CC2)CCC1 ZINC000572807999 823402953 /nfs/dbraw/zinc/40/29/53/823402953.db2.gz USAHKQMPZUVGPG-KRWDZBQOSA-N 1 0 386.565 4.009 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)Nc2ccc(N(C)C)cc2)cc1 ZINC000058520952 823403280 /nfs/dbraw/zinc/40/32/80/823403280.db2.gz YHYJWIXCVJKLEB-GOSISDBHSA-N 1 0 380.536 4.449 20 0 GIADRO Fc1ccccc1-c1nnc(SCC[NH+]2CCCCC2)n1Cc1ccco1 ZINC000122742956 823404154 /nfs/dbraw/zinc/40/41/54/823404154.db2.gz XPGVVRDZMPHSCB-UHFFFAOYSA-N 1 0 386.496 4.304 20 0 GIADRO CCn1c(C[NH2+][C@@H](C)[C@@H](OC2CCOCC2)c2ccccc2)nc2ccccc21 ZINC000122744523 823404429 /nfs/dbraw/zinc/40/44/29/823404429.db2.gz OYCFTFKAPSLONF-MHECFPHRSA-N 1 0 393.531 4.471 20 0 GIADRO O=C1[C@@H]([NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)CCCN1c1cccnc1 ZINC000189401625 823408557 /nfs/dbraw/zinc/40/85/57/823408557.db2.gz IYIZHRWRSKPFCP-INIZCTEOSA-N 1 0 383.801 4.039 20 0 GIADRO CSC1(CNC(=O)N[C@H](c2cccc(C)c2)C(C)(C)C)CC[NH+](C)CC1 ZINC000460499364 823408956 /nfs/dbraw/zinc/40/89/56/823408956.db2.gz ZZHKDMMZPGIKBV-GOSISDBHSA-N 1 0 377.598 4.209 20 0 GIADRO COc1ccc([C@@H](CNC(=O)Nc2ccsc2Cl)[NH+]2CCCC2)cc1 ZINC000189402949 823408957 /nfs/dbraw/zinc/40/89/57/823408957.db2.gz KLUJEYUGRHACLM-MRXNPFEDSA-N 1 0 379.913 4.369 20 0 GIADRO COc1cccc([C@@H](CNC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)[NH+](C)C)c1 ZINC000410156954 823405066 /nfs/dbraw/zinc/40/50/66/823405066.db2.gz VNDKLFQCOCQTCM-PGRDOPGGSA-N 1 0 398.547 4.313 20 0 GIADRO Cc1cc(Br)ccc1NC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000058532794 823405167 /nfs/dbraw/zinc/40/51/67/823405167.db2.gz BADHPNDEDYPEEC-CQSZACIVSA-N 1 0 382.346 4.391 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1ccccc1OCC(F)(F)F ZINC000058537106 823405827 /nfs/dbraw/zinc/40/58/27/823405827.db2.gz GTYGOSPCPMPEPR-HNNXBMFYSA-N 1 0 387.446 4.404 20 0 GIADRO COCc1cccc(NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000058546795 823407393 /nfs/dbraw/zinc/40/73/93/823407393.db2.gz RUOXCYSJXAIESM-GOSISDBHSA-N 1 0 381.520 4.387 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc(NS(C)(=O)=O)cc1)c1ccc(Br)cc1 ZINC000177241717 823407962 /nfs/dbraw/zinc/40/79/62/823407962.db2.gz BENGUQGNHZZNDO-STQMWFEESA-N 1 0 397.338 4.232 20 0 GIADRO CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)c1ccc(Cl)c(Cl)c1 ZINC000572864807 823411224 /nfs/dbraw/zinc/41/12/24/823411224.db2.gz FXKLVSKFLDXXCD-IYHXRUFHSA-N 1 0 398.378 4.118 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccccc1-n1cccn1)c1cccc(N2CCOC2=O)c1 ZINC000177257082 823411406 /nfs/dbraw/zinc/41/14/06/823411406.db2.gz DYGIYXYOEOCBFJ-IAGOWNOFSA-N 1 0 376.460 4.241 20 0 GIADRO Cc1ccc(CNC(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)s1 ZINC000410177585 823411640 /nfs/dbraw/zinc/41/16/40/823411640.db2.gz YOJFNMTVRCHELY-SFHVURJKSA-N 1 0 377.941 4.346 20 0 GIADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)CCc2ccc(OC(F)(F)F)cc2)C1 ZINC000410177457 823411828 /nfs/dbraw/zinc/41/18/28/823411828.db2.gz DWTNMEYSRLRTAO-JFIYKMOQSA-N 1 0 398.469 4.382 20 0 GIADRO COc1ccc(Cl)cc1NCCC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177258786 823412041 /nfs/dbraw/zinc/41/20/41/823412041.db2.gz VUFGFFMZGUTXFL-UHFFFAOYSA-N 1 0 393.959 4.064 20 0 GIADRO C[N@H+](CCCc1ccccc1)CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000058580835 823412222 /nfs/dbraw/zinc/41/22/22/823412222.db2.gz ZGGAPZQYRRGNAZ-HXUWFJFHSA-N 1 0 391.471 4.115 20 0 GIADRO Cc1ccc(-c2ccnn2C)cc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000410186452 823413954 /nfs/dbraw/zinc/41/39/54/823413954.db2.gz TUXRZIWFPFCLBP-OAQYLSRUSA-N 1 0 388.515 4.246 20 0 GIADRO Cc1ccc2cc(C[NH2+]CCCc3nc(-c4ccc(F)cc4)no3)ccc2n1 ZINC000189428294 823413475 /nfs/dbraw/zinc/41/34/75/823413475.db2.gz GZLIXIWKDAFERG-UHFFFAOYSA-N 1 0 376.435 4.455 20 0 GIADRO CCn1c(-c2cc(C)oc2C)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000572849908 823409144 /nfs/dbraw/zinc/40/91/44/823409144.db2.gz NNWQQWOQJVQLKD-IBGZPJMESA-N 1 0 385.556 4.123 20 0 GIADRO C[C@@H](NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)c1ccc(F)cc1F ZINC000460500296 823409198 /nfs/dbraw/zinc/40/91/98/823409198.db2.gz QFTHNRHDJHVVRF-NZSAHSFTSA-N 1 0 399.485 4.189 20 0 GIADRO C[C@@H](NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)c1ccc(F)cc1F ZINC000460500295 823409238 /nfs/dbraw/zinc/40/92/38/823409238.db2.gz QFTHNRHDJHVVRF-NEWSRXKRSA-N 1 0 399.485 4.189 20 0 GIADRO CN(C(=O)N[C@@H]1CCOc2c(-c3ccccc3)cccc21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000572856159 823409976 /nfs/dbraw/zinc/40/99/76/823409976.db2.gz AEMJLWRXSOOGNM-JVXMTQNBSA-N 1 0 391.515 4.102 20 0 GIADRO CNC(=O)Nc1cc(NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)ccc1F ZINC000572861357 823410508 /nfs/dbraw/zinc/41/05/08/823410508.db2.gz NTHLVQVGBIZHSP-UHFFFAOYSA-N 1 0 390.890 4.307 20 0 GIADRO CC(C)CC(=O)Nc1cccc(C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000177254905 823410540 /nfs/dbraw/zinc/41/05/40/823410540.db2.gz MLHMRGKYKQJXOV-UHFFFAOYSA-N 1 0 389.540 4.160 20 0 GIADRO Cc1nc2ccccc2c(C)c1CC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177255222 823410609 /nfs/dbraw/zinc/41/06/09/823410609.db2.gz KPYFLWXKQIRMGG-UHFFFAOYSA-N 1 0 379.548 4.307 20 0 GIADRO COc1cccc([C@H](C)[NH2+][C@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)c1 ZINC000177278983 823419452 /nfs/dbraw/zinc/41/94/52/823419452.db2.gz HDFNWYXMVJFPHB-MSOLQXFVSA-N 1 0 381.520 4.363 20 0 GIADRO CC(C)[NH2+]C1CCN(C(=O)Nc2ccnn2Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000189434052 823415039 /nfs/dbraw/zinc/41/50/39/823415039.db2.gz REVWUWPTYFEEBI-UHFFFAOYSA-N 1 0 397.567 4.223 20 0 GIADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1occc1COc1ccccc1 ZINC000177267533 823415067 /nfs/dbraw/zinc/41/50/67/823415067.db2.gz IPQGCXTZMFVCGF-UHFFFAOYSA-N 1 0 382.504 4.386 20 0 GIADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000572896315 823416030 /nfs/dbraw/zinc/41/60/30/823416030.db2.gz YZWROTOUYLXRPY-OAHLLOKOSA-N 1 0 377.916 4.164 20 0 GIADRO CCCCn1ncc(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c1C ZINC000572897968 823416383 /nfs/dbraw/zinc/41/63/83/823416383.db2.gz DSWYJYWBSGCJNX-NRFANRHFSA-N 1 0 382.552 4.024 20 0 GIADRO Cc1cc(C(=O)NC2CC[NH+](CC3CC3)CC2)cc(Cl)c1Br ZINC000572903897 823417111 /nfs/dbraw/zinc/41/71/11/823417111.db2.gz GRBVWKMMFYOUDH-UHFFFAOYSA-N 1 0 385.733 4.015 20 0 GIADRO CSC[C@H]([NH2+]C[C@]1(N(C)C)CCSC1)c1ccc(C(F)(F)F)cc1 ZINC000572912150 823418442 /nfs/dbraw/zinc/41/84/42/823418442.db2.gz MRZMEPZKCRTCEX-JKSUJKDBSA-N 1 0 378.529 4.136 20 0 GIADRO CSC[C@H]([NH2+]C[C@@]1(N(C)C)CCSC1)c1ccc(C(F)(F)F)cc1 ZINC000572912148 823418448 /nfs/dbraw/zinc/41/84/48/823418448.db2.gz MRZMEPZKCRTCEX-HOTGVXAUSA-N 1 0 378.529 4.136 20 0 GIADRO CCc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3cccc(Br)c3)C2)ncn1 ZINC000410212322 823421505 /nfs/dbraw/zinc/42/15/05/823421505.db2.gz BYYSEIZDNJPIAM-RDTXWAMCSA-N 1 0 389.341 4.121 20 0 GIADRO Cc1cc([C@H](C)[NH2+][C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)c(C)s1 ZINC000122845659 823422376 /nfs/dbraw/zinc/42/23/76/823422376.db2.gz AFXIHQGFVHPPDE-GJZGRUSLSA-N 1 0 378.563 4.317 20 0 GIADRO COc1ccc(C(C)(C)C[NH2+][C@H](C)c2ccc(Br)cn2)cc1OC ZINC000572932329 823422425 /nfs/dbraw/zinc/42/24/25/823422425.db2.gz NEVTUNDNLFTNGJ-CYBMUJFWSA-N 1 0 393.325 4.490 20 0 GIADRO Cc1noc(C[C@@H]([NH2+][C@@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)c2ccccc2)n1 ZINC000572938185 823423910 /nfs/dbraw/zinc/42/39/10/823423910.db2.gz UBJYABALGKQEDD-VBKZILBWSA-N 1 0 390.487 4.242 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCN(C(=O)C2CCCCC2)C1)c1cccc(Br)c1 ZINC000410223121 823424111 /nfs/dbraw/zinc/42/41/11/823424111.db2.gz BMFUMCGPXOYNCW-KDOFPFPSSA-N 1 0 379.342 4.281 20 0 GIADRO COC(=O)c1c(C[NH+]2CCC(C)(O)CC2)nc2ccccc2c1-c1ccccc1 ZINC000177297012 823424880 /nfs/dbraw/zinc/42/48/80/823424880.db2.gz BNJYIJPDXREUQI-UHFFFAOYSA-N 1 0 390.483 4.035 20 0 GIADRO Cc1ccc(Cl)c(O[C@H](C)C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)c1 ZINC000410205872 823419527 /nfs/dbraw/zinc/41/95/27/823419527.db2.gz KFKGCTZSTZHBEQ-GOSISDBHSA-N 1 0 386.923 4.150 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)Nc2cc(-c3ccnn3C)ccc2C)cc1 ZINC000410206926 823419877 /nfs/dbraw/zinc/41/98/77/823419877.db2.gz WEVIEQIWFCOBMM-UHFFFAOYSA-N 1 0 376.504 4.490 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(OCc2ccncc2)cc1)Cc1cccc(F)c1 ZINC000572921643 823420080 /nfs/dbraw/zinc/42/00/80/823420080.db2.gz SIBQATDVFGOGJU-UHFFFAOYSA-N 1 0 393.506 4.364 20 0 GIADRO COc1ccc(C[C@](C)(O)C[NH2+][C@H](C)c2ccc(Cl)c(F)c2)cc1OC ZINC000572924738 823420647 /nfs/dbraw/zinc/42/06/47/823420647.db2.gz CNZFAFKAXFCBAE-XCLFUZPHSA-N 1 0 381.875 4.141 20 0 GIADRO COc1cc(F)c(C(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)cc1OC ZINC000177284872 823421077 /nfs/dbraw/zinc/42/10/77/823421077.db2.gz SPKGPXGMXSPNIM-UHFFFAOYSA-N 1 0 386.467 4.471 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CC(C)(C)c2ccc3c(c2)OCO3)cc1NC(C)=O ZINC000122838870 823421382 /nfs/dbraw/zinc/42/13/82/823421382.db2.gz YISIUFRWZZDJSG-CQSZACIVSA-N 1 0 384.476 4.011 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)N2CC[C@H](COCc3ccccc3)C2)cc1)C1CC1 ZINC000460542281 823425400 /nfs/dbraw/zinc/42/54/00/823425400.db2.gz DCLRJLWVBFBBEV-QFIPXVFZSA-N 1 0 392.543 4.350 20 0 GIADRO Cc1ccc(-c2ncccc2NC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)s1 ZINC000189477539 823425654 /nfs/dbraw/zinc/42/56/54/823425654.db2.gz JMNBBOHMDUBCQQ-KRWDZBQOSA-N 1 0 384.549 4.458 20 0 GIADRO C[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000122865589 823425794 /nfs/dbraw/zinc/42/57/94/823425794.db2.gz OUBOMQYZXFZRIC-ZSZQSSIHSA-N 1 0 395.469 4.425 20 0 GIADRO Cc1nn(-c2ccccc2)c2nc(C(=O)Nc3cc(C[NH+](C)C)ccc3C)ccc12 ZINC000177311785 823429261 /nfs/dbraw/zinc/42/92/61/823429261.db2.gz SJZVYGYLWHHDHO-UHFFFAOYSA-N 1 0 399.498 4.351 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CC[C@@H](c2cccnc2)C1 ZINC000572956250 823426552 /nfs/dbraw/zinc/42/65/52/823426552.db2.gz QOCOTJBSJYWFGK-WMZHIEFXSA-N 1 0 392.547 4.155 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CC[C@H](c2cccnc2)C1 ZINC000572956249 823426577 /nfs/dbraw/zinc/42/65/77/823426577.db2.gz QOCOTJBSJYWFGK-CVDCTZTESA-N 1 0 392.547 4.155 20 0 GIADRO c1ccc(C[N@@H+]2CC[C@H](Nc3cccc(N4CCOCC4)c3)CC23CC3)cc1 ZINC000572960507 823426870 /nfs/dbraw/zinc/42/68/70/823426870.db2.gz BWRIGBVVWZGOQZ-QFIPXVFZSA-N 1 0 377.532 4.132 20 0 GIADRO C[C@H]1C[C@@H](NC(=O)N(CCC(F)(F)F)CC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000177304664 823427257 /nfs/dbraw/zinc/42/72/57/823427257.db2.gz LKNMIHHJSMFJBR-LPHOPBHVSA-N 1 0 397.485 4.414 20 0 GIADRO CSc1ccccc1NC(=O)CC[NH2+][C@@H]1c2ccccc2CC12CCOCC2 ZINC000572965779 823427344 /nfs/dbraw/zinc/42/73/44/823427344.db2.gz DQQGGRZDWUAQFZ-JOCHJYFZSA-N 1 0 396.556 4.421 20 0 GIADRO C[C@@H]([NH2+]CC(C)(C)c1ccc2c(c1)OCCO2)c1cccc(N2CCOC2=O)c1 ZINC000122880427 823427997 /nfs/dbraw/zinc/42/79/97/823427997.db2.gz BBQGRBFURPQKON-MRXNPFEDSA-N 1 0 396.487 4.043 20 0 GIADRO CC[C@H](CNC(=O)N(C)[C@@H](CC)c1ccncc1)[N@@H+]1CCc2ccccc2C1 ZINC000122882402 823428320 /nfs/dbraw/zinc/42/83/20/823428320.db2.gz BKCVKKTYVGHBKZ-YADHBBJMSA-N 1 0 380.536 4.011 20 0 GIADRO CCS[C@H]1CCCC[C@@H]1[NH2+]Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000189488640 823428790 /nfs/dbraw/zinc/42/87/90/823428790.db2.gz VNMFWLJYNMXSLV-ROUUACIJSA-N 1 0 389.590 4.227 20 0 GIADRO Cc1ccc(NC(=O)C2CC[NH+]([C@H](C)c3ncc(-c4ccccc4)o3)CC2)nc1 ZINC000122892430 823430056 /nfs/dbraw/zinc/43/00/56/823430056.db2.gz YGWWBDXHKWWCAJ-QGZVFWFLSA-N 1 0 390.487 4.457 20 0 GIADRO CC[C@H]([NH2+][C@H](C)CC(=O)Nc1ccc(OC)cc1OC)c1ccc(OC)cc1 ZINC000122893712 823430337 /nfs/dbraw/zinc/43/03/37/823430337.db2.gz RCGZCROETOMKLB-BEFAXECRSA-N 1 0 386.492 4.170 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+][C@H](c2cccc(OC(F)(F)F)c2)C2CC2)[C@@H]1n1cccn1 ZINC000572990888 823430789 /nfs/dbraw/zinc/43/07/89/823430789.db2.gz JVKZJEYKGGSDLC-RDGPPVDQSA-N 1 0 395.425 4.241 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCc2ccccc2C1)c1cccc(Br)c1 ZINC000410242126 823431513 /nfs/dbraw/zinc/43/15/13/823431513.db2.gz RCPAGEJFEPXYSB-CABCVRRESA-N 1 0 387.321 4.073 20 0 GIADRO CCC(=O)Nc1ccc(Cl)c(NC(=O)N(CC)CCC[NH+]2CCCC2)c1 ZINC000189499485 823431717 /nfs/dbraw/zinc/43/17/17/823431717.db2.gz JVTICUXXFRKCAS-UHFFFAOYSA-N 1 0 380.920 4.028 20 0 GIADRO CC[NH2+]Cc1cccc(NC(=O)CCc2ncc(-c3ccc(OC)cc3)o2)c1 ZINC000122909246 823432600 /nfs/dbraw/zinc/43/26/00/823432600.db2.gz MRVVYCPRYIMTLM-UHFFFAOYSA-N 1 0 379.460 4.031 20 0 GIADRO COC(=O)c1ccc(C[NH2+]Cc2ccc(OC)c(OCc3ccccc3)c2)cc1 ZINC000573019916 823434699 /nfs/dbraw/zinc/43/46/99/823434699.db2.gz QDGAIHFOZNTVOC-UHFFFAOYSA-N 1 0 391.467 4.351 20 0 GIADRO C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+]Cc1cccc(NS(C)(=O)=O)c1 ZINC000573011084 823433338 /nfs/dbraw/zinc/43/33/38/823433338.db2.gz CRSLSNFJNAPYGP-ZROIWOOFSA-N 1 0 398.450 4.270 20 0 GIADRO C[NH+]1CCC(CCNC(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)CC1 ZINC000177323339 823433527 /nfs/dbraw/zinc/43/35/27/823433527.db2.gz FVHGHMADUUUWLN-UHFFFAOYSA-N 1 0 386.540 4.059 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)NC(c2cccs2)c2cccs2)c1 ZINC000122915997 823433534 /nfs/dbraw/zinc/43/35/34/823433534.db2.gz IPFXKIHDWDYWDA-UHFFFAOYSA-N 1 0 385.558 4.460 20 0 GIADRO C[C@@H](C1CC1)[N@H+](CC(=O)Nc1ccc2c(c1)OCCCO2)Cc1ccccc1 ZINC000024674118 819863435 /nfs/dbraw/zinc/86/34/35/819863435.db2.gz UUMIYXPGAZIQDK-KRWDZBQOSA-N 1 0 380.488 4.087 20 0 GIADRO C[N@H+](Cc1cccc(Cl)c1)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000024679322 819864124 /nfs/dbraw/zinc/86/41/24/819864124.db2.gz WTBATSFPDYSFKY-QGZVFWFLSA-N 1 0 376.847 4.009 20 0 GIADRO CC(C)[C@@H]([NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)c1ccc(F)cc1 ZINC000024679915 819864247 /nfs/dbraw/zinc/86/42/47/819864247.db2.gz YGUBKMAGNBGMEL-PGRDOPGGSA-N 1 0 388.446 4.350 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccccc1CCOC ZINC000189517314 823435791 /nfs/dbraw/zinc/43/57/91/823435791.db2.gz KBEJRQPSOJWJJX-NRFANRHFSA-N 1 0 395.547 4.251 20 0 GIADRO O=C(NCC[NH2+][C@H](c1ccccc1)c1ccc(F)cc1)c1c(F)cccc1F ZINC000177330389 823435810 /nfs/dbraw/zinc/43/58/10/823435810.db2.gz XQZZTQNAMFSETP-OAQYLSRUSA-N 1 0 384.401 4.213 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2CCCCN2C(=O)c2cccs2)c1 ZINC000024927411 819896369 /nfs/dbraw/zinc/89/63/69/819896369.db2.gz YFPDPMANSHBXRS-LJQANCHMSA-N 1 0 399.560 4.223 20 0 GIADRO Cc1cc(C)cc(OC[C@@H](O)C[NH2+]Cc2ccc(Oc3cccnc3)c(F)c2)c1 ZINC000573032452 823437261 /nfs/dbraw/zinc/43/72/61/823437261.db2.gz QMADRZVQGUFQNS-IBGZPJMESA-N 1 0 396.462 4.159 20 0 GIADRO COc1cccc([C@H](C)[NH2+]Cc2cccc(NC(=O)NCc3ccncc3)c2)c1 ZINC000177333892 823437582 /nfs/dbraw/zinc/43/75/82/823437582.db2.gz XQNNKOBKHHPYIX-KRWDZBQOSA-N 1 0 390.487 4.263 20 0 GIADRO C[C@H](CC(=O)Nc1ccccc1)[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000177334583 823437723 /nfs/dbraw/zinc/43/77/23/823437723.db2.gz ZYSNOXWDPSIFQG-MRXNPFEDSA-N 1 0 380.517 4.145 20 0 GIADRO CCOc1cccc2cc([C@H](C)[NH2+]Cc3cc(=O)oc4cc(O)ccc34)oc21 ZINC000177334492 823437771 /nfs/dbraw/zinc/43/77/71/823437771.db2.gz WGPQUZCHENKKEO-ZDUSSCGKSA-N 1 0 379.412 4.494 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1nn(-c2ccccc2F)c2c1CCC2 ZINC000177341788 823440568 /nfs/dbraw/zinc/44/05/68/823440568.db2.gz JBIHUXXGQSDNDI-UHFFFAOYSA-N 1 0 392.478 4.122 20 0 GIADRO CC(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000460570474 823438130 /nfs/dbraw/zinc/43/81/30/823438130.db2.gz DJUUGPKGPBILHF-NRFANRHFSA-N 1 0 399.558 4.119 20 0 GIADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N(CCC(F)(F)F)Cc2ccccc2)C1 ZINC000189541748 823440613 /nfs/dbraw/zinc/44/06/13/823440613.db2.gz CKLCSJSVCRUJSE-GOSISDBHSA-N 1 0 385.474 4.129 20 0 GIADRO C[C@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000410263807 823439402 /nfs/dbraw/zinc/43/94/02/823439402.db2.gz FWCQAMWKXUDTAY-LBPRGKRZSA-N 1 0 387.446 4.255 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)CCOc3cc(C)ccc3C)c(C)c2)CC1 ZINC000025185541 819940784 /nfs/dbraw/zinc/94/07/84/819940784.db2.gz OSQIGVXWOZJNQF-UHFFFAOYSA-N 1 0 395.547 4.161 20 0 GIADRO O=C(Nc1cccc(N2CCCCC2=O)c1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000025238024 819948616 /nfs/dbraw/zinc/94/86/16/819948616.db2.gz JUEPJONCHIGEQW-UHFFFAOYSA-N 1 0 391.515 4.442 20 0 GIADRO CCOc1cc(C[NH2+][C@H]2CCCc3ccccc32)ccc1O[C@H](C)C(=O)N(C)C ZINC000025259718 819952076 /nfs/dbraw/zinc/95/20/76/819952076.db2.gz WIRPGKFPLRWYGK-UTKZUKDTSA-N 1 0 396.531 4.108 20 0 GIADRO CCC(CC)n1ncc(C(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)c1C ZINC000122967530 823441545 /nfs/dbraw/zinc/44/15/45/823441545.db2.gz QNAVXJVLGWDXKG-UHFFFAOYSA-N 1 0 381.524 4.321 20 0 GIADRO CC(=O)Nc1ccc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)cc1 ZINC000025313050 819961199 /nfs/dbraw/zinc/96/11/99/819961199.db2.gz FKZNMJWXHOSCMD-UHFFFAOYSA-N 1 0 397.482 4.183 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1ccsc1 ZINC000025332235 819964667 /nfs/dbraw/zinc/96/46/67/819964667.db2.gz JJGBNHUUMCQGPE-HXUWFJFHSA-N 1 0 393.512 4.033 20 0 GIADRO C[C@@H]([NH2+]Cc1cc(Br)ccc1F)c1ccc(-n2cncn2)cc1 ZINC000025364785 819969689 /nfs/dbraw/zinc/96/96/89/819969689.db2.gz SQAQBJDRCNUCDV-GFCCVEGCSA-N 1 0 375.245 4.020 20 0 GIADRO Cc1csc2nc(C[N@H+]3Cc4ccccc4[C@H](c4ccccc4)C3)cc(=O)n12 ZINC000025401159 819975720 /nfs/dbraw/zinc/97/57/20/819975720.db2.gz VHWQYYSIXODYHF-NRFANRHFSA-N 1 0 387.508 4.212 20 0 GIADRO Cc1nc(COc2cccc(C(=O)NC[C@H](c3ccccc3)[NH+](C)C)c2)cs1 ZINC000025421756 819978553 /nfs/dbraw/zinc/97/85/53/819978553.db2.gz YNBWQVLPYHZMDG-OAQYLSRUSA-N 1 0 395.528 4.063 20 0 GIADRO CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)[NH2+][C@H](c1ccccc1)C(C)C ZINC000025436119 819979246 /nfs/dbraw/zinc/97/92/46/819979246.db2.gz ADPSIBGHJONGDO-MBSDFSHPSA-N 1 0 395.547 4.021 20 0 GIADRO O=C(CC[N@H+]1CCC[C@@H]1c1ccc(F)cc1)Nc1ccc(N2CCCC2=O)cc1 ZINC000025445470 819981425 /nfs/dbraw/zinc/98/14/25/819981425.db2.gz XYDKIEUCWFWMQL-OAQYLSRUSA-N 1 0 395.478 4.118 20 0 GIADRO CC(C)(C)OC(=O)N1CCC([NH2+]C[C@@H](O)c2c(Cl)cccc2Cl)CC1 ZINC000177365859 823446450 /nfs/dbraw/zinc/44/64/50/823446450.db2.gz IGNYRVKJUMDXCK-OAHLLOKOSA-N 1 0 389.323 4.016 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2ocnc2-c2ccccc2)CC1 ZINC000573070199 823443662 /nfs/dbraw/zinc/44/36/62/823443662.db2.gz CXDVAWRYRUFMJI-QGZVFWFLSA-N 1 0 375.472 4.297 20 0 GIADRO COc1cc(CN[C@H](C[NH+](C)C)c2ccc(Cl)cc2)c(SC)cc1OC ZINC000573072102 823443957 /nfs/dbraw/zinc/44/39/57/823443957.db2.gz UEKGQGIUEWFSGQ-QGZVFWFLSA-N 1 0 394.968 4.472 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)CSc1ccc(C(F)(F)F)cn1 ZINC000177361422 823444713 /nfs/dbraw/zinc/44/47/13/823444713.db2.gz HYWMUPBHMQZIKS-UHFFFAOYSA-N 1 0 383.439 4.201 20 0 GIADRO C[C@@H](CNC(=O)c1cc(F)c(Cl)cc1Cl)[N@@H+]1CCc2ccccc2C1 ZINC000025636201 820008853 /nfs/dbraw/zinc/00/88/53/820008853.db2.gz MAPKBYWODGWNGY-LBPRGKRZSA-N 1 0 381.278 4.309 20 0 GIADRO COCCc1ccccc1NC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000189564323 823444955 /nfs/dbraw/zinc/44/49/55/823444955.db2.gz AACJWFQSPCIEJD-SFHVURJKSA-N 1 0 381.520 4.223 20 0 GIADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)CCc2ccc(F)cc2)CC1 ZINC000025730515 820019810 /nfs/dbraw/zinc/01/98/10/820019810.db2.gz OQWUGIKWCKSTLA-UHFFFAOYSA-N 1 0 389.902 4.192 20 0 GIADRO CC(C)(C(=O)N1C[C@H]([NH3+])Cc2ccccc21)c1csc(-c2cccs2)n1 ZINC000573083447 823445535 /nfs/dbraw/zinc/44/55/35/823445535.db2.gz OWCITSASQYDKKX-CQSZACIVSA-N 1 0 383.542 4.066 20 0 GIADRO [NH3+]CCC1CCN(C(=O)N[C@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000573096551 823446756 /nfs/dbraw/zinc/44/67/56/823446756.db2.gz AMUHDHGTFIJLKP-ROUUACIJSA-N 1 0 383.458 4.112 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc(Cl)c2)cc1OC ZINC000058761219 823446023 /nfs/dbraw/zinc/44/60/23/823446023.db2.gz LTTCNPQYJXVDTF-KBPBESRZSA-N 1 0 376.884 4.425 20 0 GIADRO COc1ccc(C[NH+](C)C)cc1NC(=O)c1sc(Cc2ccccc2)nc1C ZINC000025855830 820031438 /nfs/dbraw/zinc/03/14/38/820031438.db2.gz HZSCGIFVJYTSSG-UHFFFAOYSA-N 1 0 395.528 4.365 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1ccccc1OC(F)F)c1cccc(OC)c1 ZINC000025862990 820031905 /nfs/dbraw/zinc/03/19/05/820031905.db2.gz HSXWAFJBYRHCKU-GOSISDBHSA-N 1 0 392.446 4.110 20 0 GIADRO COc1ccc(NC(=O)[C@H](C)[NH2+]CC2(c3ccccc3)CCCC2)cc1OC ZINC000025898541 820036400 /nfs/dbraw/zinc/03/64/00/820036400.db2.gz UOCGEFNSVCTZPU-KRWDZBQOSA-N 1 0 382.504 4.132 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCCc2cc(OC(F)F)ccc21)c1ccc(S(C)(=O)=O)cc1 ZINC000123017602 823448888 /nfs/dbraw/zinc/44/88/88/823448888.db2.gz GKSSLEIRJJARJG-ORAYPTAESA-N 1 0 395.471 4.420 20 0 GIADRO CC(C)(C)OC(=O)c1cccc(NC2CC[NH+](CCc3ccccc3)CC2)n1 ZINC000573109660 823449144 /nfs/dbraw/zinc/44/91/44/823449144.db2.gz YNMAPCHMYKXQQN-UHFFFAOYSA-N 1 0 381.520 4.156 20 0 GIADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@H]1CCc2ccc(-c3ccccc3)cc21 ZINC000189577362 823449369 /nfs/dbraw/zinc/44/93/69/823449369.db2.gz CYCQWWLDDBFERV-ZEQRLZLVSA-N 1 0 392.543 4.250 20 0 GIADRO COc1ccc([C@H](C)NC(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)cc1F ZINC000026165278 820065287 /nfs/dbraw/zinc/06/52/87/820065287.db2.gz SIXKQSUEGXDHSV-INIZCTEOSA-N 1 0 399.510 4.031 20 0 GIADRO CCN(Cc1cccc(F)c1)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000026165304 820065641 /nfs/dbraw/zinc/06/56/41/820065641.db2.gz DKKMNAXFYUHOKT-UHFFFAOYSA-N 1 0 383.511 4.194 20 0 GIADRO C[C@@H]1CCN(C(=O)Nc2cccc(OCCF)c2)CC[N@@H+]1Cc1ccccc1 ZINC000123026740 823450136 /nfs/dbraw/zinc/45/01/36/823450136.db2.gz ZNEWQSIPJMUJIX-GOSISDBHSA-N 1 0 385.483 4.163 20 0 GIADRO C[N@H+](CCCNC(=O)Cc1coc2cc3c(cc12)CCC3)Cc1ccccc1 ZINC000026304444 820080115 /nfs/dbraw/zinc/08/01/15/820080115.db2.gz ALBTUUVBVJOREH-UHFFFAOYSA-N 1 0 376.500 4.102 20 0 GIADRO Clc1cc(C[NH2+]C[C@@H](c2ccccc2)N2CCCC2)cc2c1OCCCO2 ZINC000026310676 820080748 /nfs/dbraw/zinc/08/07/48/820080748.db2.gz DUDOLPHLCQAOFD-FQEVSTJZSA-N 1 0 386.923 4.428 20 0 GIADRO Clc1cc(C[NH2+]C[C@H](c2ccccc2)N2CCCC2)cc2c1OCCCO2 ZINC000026310673 820080854 /nfs/dbraw/zinc/08/08/54/820080854.db2.gz DUDOLPHLCQAOFD-HXUWFJFHSA-N 1 0 386.923 4.428 20 0 GIADRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cc3ccccc3o2)cc1 ZINC000026311452 820081331 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385.430 4.113 20 0 GIADRO C[N@H+](Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1)[C@@H](CCO)c1ccccc1 ZINC000573139696 823453908 /nfs/dbraw/zinc/45/39/08/823453908.db2.gz GHXFHENORNDRDI-FQEVSTJZSA-N 1 0 389.421 4.447 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc(OCCC(C)C)cc1 ZINC000026567388 820115251 /nfs/dbraw/zinc/11/52/51/820115251.db2.gz MPONQSVGWCWLAX-UHFFFAOYSA-N 1 0 395.547 4.424 20 0 GIADRO Cc1ccccc1[C@H](OC[C@H](O)C[N@@H+]1CCC(F)(F)[C@@H](C)C1)c1ccccc1 ZINC000573142662 823454660 /nfs/dbraw/zinc/45/46/60/823454660.db2.gz FIUMTYRJOIWREK-CZTZKLFOSA-N 1 0 389.486 4.439 20 0 GIADRO CCC[N@H+](CCC(=O)Nc1ccccc1Cl)C[C@@H]1COc2ccccc2O1 ZINC000026665073 820129406 /nfs/dbraw/zinc/12/94/06/820129406.db2.gz VQITVRTYECMBAI-MRXNPFEDSA-N 1 0 388.895 4.221 20 0 GIADRO COc1ccc(C2(C(=O)N[C@H]3CCC[N@H+](Cc4ccccc4)C3)CCCC2)cc1 ZINC000058804280 823455196 /nfs/dbraw/zinc/45/51/96/823455196.db2.gz JTFPTAVYAWDBLH-QFIPXVFZSA-N 1 0 392.543 4.288 20 0 GIADRO COCC[N@H+](Cc1c[nH]c2nccnc12)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000573145438 823455264 /nfs/dbraw/zinc/45/52/64/823455264.db2.gz DPVRCFRVXKHHHW-ZDUSSCGKSA-N 1 0 378.398 4.138 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)C1(Cc2ccccc2)CC1 ZINC000177411106 823455489 /nfs/dbraw/zinc/45/54/89/823455489.db2.gz XDQYPIAABFZWFB-UHFFFAOYSA-N 1 0 382.935 4.444 20 0 GIADRO O=C(NC1CC[NH+](C2CCCC2)CC1)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000177410297 823455594 /nfs/dbraw/zinc/45/55/94/823455594.db2.gz LUSIUDIWUYENBO-RBUKOAKNSA-N 1 0 380.454 4.332 20 0 GIADRO COc1ccc(OC)c([C@H](C)[NH2+]C[C@H](O)COc2ccc(C(C)(C)C)cc2)c1 ZINC000026714972 820136223 /nfs/dbraw/zinc/13/62/23/820136223.db2.gz TZNBITWAXSXPAO-WMZOPIPTSA-N 1 0 387.520 4.092 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2ncsc2C(F)(F)F)CC1 ZINC000573147795 823455710 /nfs/dbraw/zinc/45/57/10/823455710.db2.gz NUPDWNCODRQKTL-GFCCVEGCSA-N 1 0 383.439 4.117 20 0 GIADRO O[C@H](CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1ccccc1F ZINC000026808188 820147909 /nfs/dbraw/zinc/14/79/09/820147909.db2.gz GRLXOTJIYQLCFT-XMMPIXPASA-N 1 0 390.502 4.266 20 0 GIADRO CC(C)Cn1ncc(C(=O)N2C[C@@H]3CCC[N@@H+]3Cc3ccccc32)c1C(F)F ZINC000123070557 823456842 /nfs/dbraw/zinc/45/68/42/823456842.db2.gz GQVDLGADIPRDJH-INIZCTEOSA-N 1 0 388.462 4.102 20 0 GIADRO CCOc1c(Cl)cc(C[NH2+]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)cc1OC ZINC000189608421 823457300 /nfs/dbraw/zinc/45/73/00/823457300.db2.gz BLAJSGQPMVEUEZ-GUYCJALGSA-N 1 0 395.849 4.321 20 0 GIADRO CCOc1c(Cl)cc(C[NH2+]C[C@]2(O)CCC[C@@H](C(F)(F)F)C2)cc1OC ZINC000189608461 823457361 /nfs/dbraw/zinc/45/73/61/823457361.db2.gz BLAJSGQPMVEUEZ-DYVFJYSZSA-N 1 0 395.849 4.321 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(F)cc1)c1ccc(Oc2cccnc2)cc1 ZINC000573162614 823457448 /nfs/dbraw/zinc/45/74/48/823457448.db2.gz JRESVIVSDBKIOU-VQIMIIECSA-N 1 0 382.435 4.104 20 0 GIADRO O[C@@]1(C[NH2+]Cc2csc(-c3cccs3)n2)CCC[C@@H](C(F)(F)F)C1 ZINC000189618723 823459631 /nfs/dbraw/zinc/45/96/31/823459631.db2.gz OQTMNIUQVWFWFT-ABAIWWIYSA-N 1 0 376.469 4.445 20 0 GIADRO CCOc1ccc(NC(=O)c2ccc(NC(=O)C[N@H+](C(C)C)C3CC3)cc2)cc1 ZINC000026940650 820166445 /nfs/dbraw/zinc/16/64/45/820166445.db2.gz UXRVEQRANUDBMY-UHFFFAOYSA-N 1 0 395.503 4.149 20 0 GIADRO CCCOc1cccc(NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000410306466 823458039 /nfs/dbraw/zinc/45/80/39/823458039.db2.gz AVQJUUPUENGQQK-UHFFFAOYSA-N 1 0 381.520 4.304 20 0 GIADRO O=C(c1cc(Oc2ccccc2)ccc1O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000177418903 823458170 /nfs/dbraw/zinc/45/81/70/823458170.db2.gz QAHQISPANPWQBZ-UHFFFAOYSA-N 1 0 380.488 4.133 20 0 GIADRO COc1cc(C[NH2+]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)ccc1OC(C)C ZINC000189614550 823458661 /nfs/dbraw/zinc/45/86/61/823458661.db2.gz SQLWVDAUDDWZBA-YJBOKZPZSA-N 1 0 375.431 4.056 20 0 GIADRO COc1cccc(C[NH+]2CCC(NC(=O)C(C)(C)c3ccccc3C)CC2)c1 ZINC000058820151 823458749 /nfs/dbraw/zinc/45/87/49/823458749.db2.gz PMGAJSYMNNZIHA-UHFFFAOYSA-N 1 0 380.532 4.062 20 0 GIADRO COc1cccc(C[C@H]2CCCN2C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000058820979 823459095 /nfs/dbraw/zinc/45/90/95/823459095.db2.gz KWQVIOUYQFKAIS-DHIUTWEWSA-N 1 0 392.543 4.141 20 0 GIADRO CCOc1cc(F)ccc1NC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000410313235 823460081 /nfs/dbraw/zinc/46/00/81/823460081.db2.gz ZNSRQLMVRZEVRY-UHFFFAOYSA-N 1 0 385.483 4.053 20 0 GIADRO Cc1cc([C@@H](C)NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)c(C)s1 ZINC000410311778 823460085 /nfs/dbraw/zinc/46/00/85/823460085.db2.gz HXLNDDLNGBPYIF-QGZVFWFLSA-N 1 0 385.577 4.432 20 0 GIADRO COC[C@H]1CCC[N@H+](Cc2csc(-c3ccc(Br)cc3)n2)C1 ZINC000177428933 823460224 /nfs/dbraw/zinc/46/02/24/823460224.db2.gz HZTKEKVNKRYELU-ZDUSSCGKSA-N 1 0 381.339 4.431 20 0 GIADRO CCSc1ccc(Cl)cc1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000177430164 823460598 /nfs/dbraw/zinc/46/05/98/823460598.db2.gz PEVAQGXCANYOMR-UHFFFAOYSA-N 1 0 389.952 4.241 20 0 GIADRO C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1ccc(OC)c(NC(=O)C2CCCCC2)c1 ZINC000573203404 823464910 /nfs/dbraw/zinc/46/49/10/823464910.db2.gz DUYHCLYJQLYEBJ-SFHVURJKSA-N 1 0 389.540 4.177 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1cccnc1OCC(F)(F)F ZINC000027143186 820201306 /nfs/dbraw/zinc/20/13/06/820201306.db2.gz GEHZTMGTDFKZOB-UHFFFAOYSA-N 1 0 393.409 4.261 20 0 GIADRO COc1ccc(Br)c(C[NH2+]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)c1 ZINC000189622670 823461140 /nfs/dbraw/zinc/46/11/40/823461140.db2.gz PTPNDJBBUBGJEV-WFASDCNBSA-N 1 0 396.247 4.031 20 0 GIADRO COc1ccc(C[N@H+](C[C@@H](O)CC(F)(F)F)C2CCCCC2)cc1OC ZINC000189622631 823461186 /nfs/dbraw/zinc/46/11/86/823461186.db2.gz BEAIPARSFSVEJU-INIZCTEOSA-N 1 0 375.431 4.152 20 0 GIADRO COc1cccc([C@@H](CNC(=O)Nc2cc(Cl)cc(Cl)c2)[NH+](C)C)c1 ZINC000058843164 823461375 /nfs/dbraw/zinc/46/13/75/823461375.db2.gz DYFVREMHLHAQHU-QGZVFWFLSA-N 1 0 382.291 4.426 20 0 GIADRO O=C(CC[N@H+]1CCC[C@@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1)Nc1cccnc1 ZINC000573179984 823461729 /nfs/dbraw/zinc/46/17/29/823461729.db2.gz JCHKXWIWBUZJPW-LJQANCHMSA-N 1 0 395.894 4.291 20 0 GIADRO COc1ccc(C(=O)Nc2cccc(C[NH2+]C[C@H]3Cc4ccccc4O3)c2)cc1 ZINC000027220382 820212105 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GIADRO CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@H+](C)Cc1ccc(Br)cc1 ZINC000027350146 820229268 /nfs/dbraw/zinc/22/92/68/820229268.db2.gz TYBOUJPBZRMGGZ-GOSISDBHSA-N 1 0 391.309 4.307 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)NC[C@@H](O)c1ccccc1F)C1CCCCC1 ZINC000058859229 823462957 /nfs/dbraw/zinc/46/29/57/823462957.db2.gz GAKULGQWHOLJSV-JOCHJYFZSA-N 1 0 399.510 4.445 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH2+]C[C@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000189633444 823463088 /nfs/dbraw/zinc/46/30/88/823463088.db2.gz PAJGAOXDDUWTAI-QUCCMNQESA-N 1 0 394.437 4.330 20 0 GIADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000027391341 820237745 /nfs/dbraw/zinc/23/77/45/820237745.db2.gz OWAIQFGBDOETNU-UHFFFAOYSA-N 1 0 376.422 4.362 20 0 GIADRO O=C(NCC1CC[NH+](C2CC2)CC1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000573192551 823463459 /nfs/dbraw/zinc/46/34/59/823463459.db2.gz IFYBXLQJOGQIBF-KRWDZBQOSA-N 1 0 398.576 4.060 20 0 GIADRO O[C@@]1(C[NH2+]Cc2cccc(OCc3ccccn3)c2)CCC[C@H](C(F)(F)F)C1 ZINC000189634772 823463534 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384.569 4.037 20 0 GIADRO O=C(Cc1ccc(C(F)(F)F)cc1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000058880039 823465391 /nfs/dbraw/zinc/46/53/91/823465391.db2.gz JCRGXYIWRIDRTJ-UHFFFAOYSA-N 1 0 382.470 4.363 20 0 GIADRO CC1CC[NH+]([C@@H](CNC(=O)c2cccc3ncccc32)c2cccs2)CC1 ZINC000027575332 820261904 /nfs/dbraw/zinc/26/19/04/820261904.db2.gz BUVBAVBALPQJHP-FQEVSTJZSA-N 1 0 379.529 4.499 20 0 GIADRO Cc1nc(-c2cccs2)sc1C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000027584966 820264086 /nfs/dbraw/zinc/26/40/86/820264086.db2.gz QPLWXMTULPMBKC-MRXNPFEDSA-N 1 0 385.558 4.083 20 0 GIADRO COCc1c2ccccc2oc1C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000058880995 823465778 /nfs/dbraw/zinc/46/57/78/823465778.db2.gz MYTOLIUTMJVBGJ-UHFFFAOYSA-N 1 0 384.520 4.307 20 0 GIADRO COc1ccc(Cl)cc1CC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000058880380 823465799 /nfs/dbraw/zinc/46/57/99/823465799.db2.gz YZIXHQGKUQKQKQ-UHFFFAOYSA-N 1 0 378.944 4.006 20 0 GIADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1c[nH]c(=S)n1-c1ccccc1 ZINC000027606367 820266816 /nfs/dbraw/zinc/26/68/16/820266816.db2.gz FFDCHSBHUWHSGC-INIZCTEOSA-N 1 0 398.557 4.163 20 0 GIADRO Cc1nc(CSc2ccccc2C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cs1 ZINC000177452518 823465894 /nfs/dbraw/zinc/46/58/94/823465894.db2.gz RWDPPPAIJPGCFE-DOTOQJQBSA-N 1 0 389.590 4.346 20 0 GIADRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)c1ccc(Cl)c(F)c1)c1ccccc1O2 ZINC000123123729 823466168 /nfs/dbraw/zinc/46/61/68/823466168.db2.gz WPPAYHVFHVZXLC-GOSISDBHSA-N 1 0 388.870 4.197 20 0 GIADRO COc1ccc([C@@H](CNC(=O)c2ccc3ncsc3c2)[NH+]2CCCCC2)cc1 ZINC000027667596 820273105 /nfs/dbraw/zinc/27/31/05/820273105.db2.gz XGZICCBHDPOAFQ-HXUWFJFHSA-N 1 0 395.528 4.262 20 0 GIADRO O=C(NC1CC[NH+](C2CCCC2)CC1)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000177457637 823466779 /nfs/dbraw/zinc/46/67/79/823466779.db2.gz JRJGBRMVLDAZQB-RBUKOAKNSA-N 1 0 391.353 4.076 20 0 GIADRO O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)c1cccnc1Br ZINC000177457374 823466800 /nfs/dbraw/zinc/46/68/00/823466800.db2.gz XAELNODBAGASKL-UHFFFAOYSA-N 1 0 388.309 4.472 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(F)c(NC(C)=O)c1)c1ccsc1 ZINC000058889226 823466852 /nfs/dbraw/zinc/46/68/52/823466852.db2.gz MTOCZKXUAMRHGA-GOSISDBHSA-N 1 0 392.500 4.050 20 0 GIADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000027752149 820282183 /nfs/dbraw/zinc/28/21/83/820282183.db2.gz QNTGMQMPCUMSGI-KRWDZBQOSA-N 1 0 394.544 4.205 20 0 GIADRO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000027752744 820282845 /nfs/dbraw/zinc/28/28/45/820282845.db2.gz LIFRHOHMXGYVLV-GFCCVEGCSA-N 1 0 379.863 4.047 20 0 GIADRO COc1cccc([C@H](CNC(=O)Nc2cccc(OC(F)(F)F)c2)[NH+](C)C)c1 ZINC000058890583 823467249 /nfs/dbraw/zinc/46/72/49/823467249.db2.gz XVNXJRXZWICGBR-KRWDZBQOSA-N 1 0 397.397 4.018 20 0 GIADRO COc1cccc([C@H](CNC(=O)Nc2ccc(OC3CCCC3)cc2)[NH+](C)C)c1 ZINC000058895572 823467669 /nfs/dbraw/zinc/46/76/69/823467669.db2.gz WWXGZLFEWFYBGF-QFIPXVFZSA-N 1 0 397.519 4.441 20 0 GIADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2ccc(Br)cc2Cl)C1 ZINC000058898926 823467958 /nfs/dbraw/zinc/46/79/58/823467958.db2.gz PVAOWNPLDKHZSI-CYBMUJFWSA-N 1 0 387.749 4.344 20 0 GIADRO Cc1ccc(C)c(C(=O)CCC(=O)NC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000027926202 820297741 /nfs/dbraw/zinc/29/77/41/820297741.db2.gz SEAOIJAOHDJRGX-UHFFFAOYSA-N 1 0 392.543 4.090 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCc3ccccc3C2)cc1 ZINC000410343375 823468090 /nfs/dbraw/zinc/46/80/90/823468090.db2.gz CYJDCMMISFOASX-LJQANCHMSA-N 1 0 377.532 4.329 20 0 GIADRO CC[C@@H](C)c1ccccc1OCC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000027933176 820298724 /nfs/dbraw/zinc/29/87/24/820298724.db2.gz DDJNGYORDZFUTB-HXUWFJFHSA-N 1 0 394.559 4.402 20 0 GIADRO Cc1cc2[nH]c(C(=O)NC3CC[NH+](CCc4ccccc4)CC3)cc2c(C)c1 ZINC000027932606 820298849 /nfs/dbraw/zinc/29/88/49/820298849.db2.gz CUXVEVHEOZJBCM-UHFFFAOYSA-N 1 0 375.516 4.222 20 0 GIADRO COc1cccc(OC)c1OC1CC[NH+](CCc2ccccc2Cl)CC1 ZINC000058907928 823469086 /nfs/dbraw/zinc/46/90/86/823469086.db2.gz RPDFXDFJEVFCFQ-UHFFFAOYSA-N 1 0 375.896 4.443 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCC[C@@H]2c2cccn2C)cc1 ZINC000410346663 823469179 /nfs/dbraw/zinc/46/91/79/823469179.db2.gz WDKRXLXQDSFLIM-AUSIDOKSSA-N 1 0 394.563 4.446 20 0 GIADRO CC1CC[NH+](Cc2ccccc2CNC(=O)N(C)Cc2ccccc2F)CC1 ZINC000410346684 823469184 /nfs/dbraw/zinc/46/91/84/823469184.db2.gz WLRKUIIIDPTPIX-UHFFFAOYSA-N 1 0 383.511 4.399 20 0 GIADRO CC(=O)N(c1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1)C1CC1 ZINC000573237768 823469183 /nfs/dbraw/zinc/46/91/83/823469183.db2.gz WYCBVOWUKBSCCU-HXUWFJFHSA-N 1 0 391.515 4.053 20 0 GIADRO COC(=O)c1c(C[NH2+][C@](C)(CO)C(C)C)nc2ccccc2c1-c1ccccc1 ZINC000573254540 823471486 /nfs/dbraw/zinc/47/14/86/823471486.db2.gz LQCDWWHMRXDPIV-XMMPIXPASA-N 1 0 392.499 4.185 20 0 GIADRO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000028162681 820314649 /nfs/dbraw/zinc/31/46/49/820314649.db2.gz JTYLCNVLLFJDSJ-JOCHJYFZSA-N 1 0 380.488 4.093 20 0 GIADRO Cc1noc2nc(C3CC3)cc(C(=O)Nc3ccc(C[NH+]4CCCC4)cc3)c12 ZINC000028176302 820315762 /nfs/dbraw/zinc/31/57/62/820315762.db2.gz NHLOJEZCVPKRPF-UHFFFAOYSA-N 1 0 376.460 4.257 20 0 GIADRO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1cccc(OC[C@@H]2CCCO2)c1 ZINC000028177327 820315988 /nfs/dbraw/zinc/31/59/88/820315988.db2.gz ZGAZJDFYZZRHBQ-QFIPXVFZSA-N 1 0 380.488 4.093 20 0 GIADRO O=C(NCc1csc(-c2ccccc2)n1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000028240358 820319835 /nfs/dbraw/zinc/31/98/35/820319835.db2.gz OCASXTQHFLLPAE-FQEVSTJZSA-N 1 0 377.513 4.091 20 0 GIADRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C1(CCF)CC1 ZINC000573254704 823471522 /nfs/dbraw/zinc/47/15/22/823471522.db2.gz UDASFXUQARWJJO-UHFFFAOYSA-N 1 0 375.315 4.414 20 0 GIADRO O[C@@H](COc1ccc(Br)cc1)C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000028280928 820322064 /nfs/dbraw/zinc/32/20/64/820322064.db2.gz DYXQCYXRSOOLRA-IEBWSBKVSA-N 1 0 394.284 4.165 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc3ccccc32)c1 ZINC000028336030 820325718 /nfs/dbraw/zinc/32/57/18/820325718.db2.gz FGTBFHXNGYNFHW-HOTGVXAUSA-N 1 0 375.472 4.476 20 0 GIADRO Cc1ccc2cc(C[NH+]3CCC(C(=O)NCc4ccc(F)cc4)CC3)ccc2n1 ZINC000189670602 823471586 /nfs/dbraw/zinc/47/15/86/823471586.db2.gz IGKYDOIPMYQNMS-UHFFFAOYSA-N 1 0 391.490 4.211 20 0 GIADRO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1F ZINC000028350315 820328828 /nfs/dbraw/zinc/32/88/28/820328828.db2.gz OOHLQZVZSRNCIY-HUUCEWRRSA-N 1 0 383.467 4.160 20 0 GIADRO COc1cccc(NC(=O)[C@@H]([NH2+]CCOc2ccc(F)cc2)c2ccccc2)c1 ZINC000028388789 820331601 /nfs/dbraw/zinc/33/16/01/820331601.db2.gz USNNMYGFJVZAID-QFIPXVFZSA-N 1 0 394.446 4.183 20 0 GIADRO CC[C@H](CNC(=O)N(C)[C@H](C)c1ccc(F)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000028392388 820332058 /nfs/dbraw/zinc/33/20/58/820332058.db2.gz QHLASVBEMSYESC-VGOFRKELSA-N 1 0 383.511 4.365 20 0 GIADRO COCc1ccc(CNC(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000410351766 823470740 /nfs/dbraw/zinc/47/07/40/823470740.db2.gz HJKDBWCEKOJPJY-IBGZPJMESA-N 1 0 395.547 4.064 20 0 GIADRO C[C@H](CCCC(F)(F)F)NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000460681940 823477181 /nfs/dbraw/zinc/47/71/81/823477181.db2.gz TWBLZUZJGKDGAX-QRQLOZEOSA-N 1 0 397.485 4.271 20 0 GIADRO CCCCOc1ccc(C(=O)N2CCC([NH+]3CCCCC3)CC2)cc1OCC ZINC000058936938 823472678 /nfs/dbraw/zinc/47/26/78/823472678.db2.gz VYVKZSUXXMWXGW-UHFFFAOYSA-N 1 0 388.552 4.355 20 0 GIADRO Cc1ccc(Cl)cc1N1CC[NH+](CCC(=O)Nc2ccccc2Cl)CC1 ZINC000028707707 820353196 /nfs/dbraw/zinc/35/31/96/820353196.db2.gz CKPGCIOJFUVFJC-UHFFFAOYSA-N 1 0 392.330 4.453 20 0 GIADRO O=C(COc1ccccc1-c1ccccc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000058937055 823473011 /nfs/dbraw/zinc/47/30/11/823473011.db2.gz PTEMIAWPXVZTOV-UHFFFAOYSA-N 1 0 378.516 4.209 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)C1 ZINC000058971924 823477296 /nfs/dbraw/zinc/47/72/96/823477296.db2.gz YGUIKPZOAQNOBN-CALCHBBNSA-N 1 0 380.960 4.372 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1cc(Cl)ccc1Br ZINC000028837606 820362376 /nfs/dbraw/zinc/36/23/76/820362376.db2.gz LTDCOFXBWFDSNW-OAHLLOKOSA-N 1 0 397.700 4.262 20 0 GIADRO Cc1c([C@H](C)[NH2+]CCc2nc3c(cccc3C)o2)nnn1-c1ccc(F)cc1 ZINC000410359745 823473681 /nfs/dbraw/zinc/47/36/81/823473681.db2.gz OKTCEJKCDDQCIR-AWEZNQCLSA-N 1 0 379.439 4.058 20 0 GIADRO CCc1nnc(-c2ccc(NC(=O)NC[C@H](CC(C)C)[NH+](CC)CC)cc2)o1 ZINC000177485420 823473769 /nfs/dbraw/zinc/47/37/69/823473769.db2.gz GRFZLDBXCJRKGP-SFHVURJKSA-N 1 0 387.528 4.177 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1)C(=O)Nc1c(F)cccc1F ZINC000028893819 820368513 /nfs/dbraw/zinc/36/85/13/820368513.db2.gz SXLXSSYXVCROFO-QWRGUYRKSA-N 1 0 383.236 4.405 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)c1 ZINC000028918144 820372837 /nfs/dbraw/zinc/37/28/37/820372837.db2.gz CRJMLYTUTZCTRX-PXAZEXFGSA-N 1 0 397.302 4.042 20 0 GIADRO Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@H](C)c2ccccc2OC(F)F)c1C ZINC000028922095 820373348 /nfs/dbraw/zinc/37/33/48/820373348.db2.gz RUFWETKWALRNIX-IAGOWNOFSA-N 1 0 379.447 4.304 20 0 GIADRO COCc1ccccc1C[NH2+]Cc1ccc(OCc2c(C)noc2C)c(OC)c1 ZINC000028926382 820374685 /nfs/dbraw/zinc/37/46/85/820374685.db2.gz LOIJWUJZHNYOHR-UHFFFAOYSA-N 1 0 396.487 4.315 20 0 GIADRO C[C@@H](C(=O)N1CCC[C@H]1c1cccs1)[NH+]1CCC(OCC2CCCC2)CC1 ZINC000177490912 823474790 /nfs/dbraw/zinc/47/47/90/823474790.db2.gz ZVBXQESNLVPOSV-PXNSSMCTSA-N 1 0 390.593 4.471 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCn2cccc2[C@H]1C ZINC000410365372 823475800 /nfs/dbraw/zinc/47/58/00/823475800.db2.gz JTLYCQUBAVUWSC-RTBURBONSA-N 1 0 380.536 4.149 20 0 GIADRO COc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)N2CCc3ccccc3C2)cc1 ZINC000029155603 820401310 /nfs/dbraw/zinc/40/13/10/820401310.db2.gz HVGMSDFPMRBXDS-HSZRJFAPSA-N 1 0 378.516 4.197 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(C)nc2c1cnn2C(C)C)c1ccccc1 ZINC000029167899 820404248 /nfs/dbraw/zinc/40/42/48/820404248.db2.gz QBHXRBULRULZRO-NRFANRHFSA-N 1 0 393.535 4.134 20 0 GIADRO Cc1c(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)cnn1-c1ccc(C)cc1 ZINC000029179710 820407923 /nfs/dbraw/zinc/40/79/23/820407923.db2.gz ZMTKABIBIYNCIM-HSZRJFAPSA-N 1 0 388.515 4.056 20 0 GIADRO Cc1c(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)cnn1-c1cccc(C)c1 ZINC000029179690 820407955 /nfs/dbraw/zinc/40/79/55/820407955.db2.gz VQCBZJPIPHUPKD-QHCPKHFHSA-N 1 0 388.515 4.056 20 0 GIADRO O=C(NCc1ccccc1)C1CC[NH+](CCCOc2ccc(Cl)cc2)CC1 ZINC000029192464 820409082 /nfs/dbraw/zinc/40/90/82/820409082.db2.gz KYLQVBRNSJPMCZ-UHFFFAOYSA-N 1 0 386.923 4.137 20 0 GIADRO O=c1[nH]c(CC[NH+]2CCC(c3cccc4ccccc43)CC2)nc2ccccc21 ZINC000058975621 823477661 /nfs/dbraw/zinc/47/76/61/823477661.db2.gz JJFITHUPMSUWDG-UHFFFAOYSA-N 1 0 383.495 4.498 20 0 GIADRO Cn1nccc1[C@@H]1C[C@H]([NH2+][C@@H](Cc2cccnc2)c2cccc(Cl)c2)CCO1 ZINC000573297715 823478143 /nfs/dbraw/zinc/47/81/43/823478143.db2.gz VYCOBYWJHUQHPP-URVUXULASA-N 1 0 396.922 4.262 20 0 GIADRO C[N@@H+](Cc1cnc2ccccc2c1)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000410386405 823483067 /nfs/dbraw/zinc/48/30/67/823483067.db2.gz UJGRMNHQRGQZCS-QGZVFWFLSA-N 1 0 390.405 4.125 20 0 GIADRO CCc1cnc(CN(C)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)s1 ZINC000177504759 823478641 /nfs/dbraw/zinc/47/86/41/823478641.db2.gz YAFNWCHPDWNCPJ-YQQQUEKLSA-N 1 0 398.576 4.043 20 0 GIADRO Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000573308879 823479130 /nfs/dbraw/zinc/47/91/30/823479130.db2.gz OGDTWGXETZMSMV-GBESFXJTSA-N 1 0 391.437 4.043 20 0 GIADRO Cc1cc(C(=O)CCC(=O)N(CC[NH+](C)C)Cc2ccccc2F)c(C)s1 ZINC000058991553 823480286 /nfs/dbraw/zinc/48/02/86/823480286.db2.gz VCOPQZWLJQNPKZ-UHFFFAOYSA-N 1 0 390.524 4.057 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)C1 ZINC000177529853 823483604 /nfs/dbraw/zinc/48/36/04/823483604.db2.gz ZUQUESCJFFPGIN-FQEVSTJZSA-N 1 0 397.567 4.250 20 0 GIADRO FC(F)COCC[NH2+]C1(c2ccc(OCc3ccccc3)cc2)CCOCC1 ZINC000189714936 823480829 /nfs/dbraw/zinc/48/08/29/823480829.db2.gz BGXFGNWWIJUHKI-UHFFFAOYSA-N 1 0 391.458 4.143 20 0 GIADRO COc1ccc([C@@H](CNC(=O)c2cc3cc(C)ccc3[nH]2)[NH+]2CCCC2)cc1 ZINC000029504847 820464946 /nfs/dbraw/zinc/46/49/46/820464946.db2.gz CGMQPNFBXIJECJ-JOCHJYFZSA-N 1 0 377.488 4.052 20 0 GIADRO C[NH+](C)CCOc1ccc(CNC(=O)N[C@H](c2ccccc2)C(C)(C)C)cc1 ZINC000410378515 823481115 /nfs/dbraw/zinc/48/11/15/823481115.db2.gz BPBTYMRRZKTJBS-OAQYLSRUSA-N 1 0 383.536 4.214 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)c2ccccc2SCc2cscn2)cc1 ZINC000029544914 820473507 /nfs/dbraw/zinc/47/35/07/820473507.db2.gz PMJNYRPFEBDIRM-UHFFFAOYSA-N 1 0 397.569 4.427 20 0 GIADRO Cc1c(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cnn1-c1cccc(C)c1 ZINC000029547981 820474137 /nfs/dbraw/zinc/47/41/37/820474137.db2.gz YRRUCIQRBYRVQT-UHFFFAOYSA-N 1 0 388.515 4.015 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000059003002 823481776 /nfs/dbraw/zinc/48/17/76/823481776.db2.gz IRTWTTWVWUEUQX-UHFFFAOYSA-N 1 0 383.294 4.265 20 0 GIADRO COc1cc(C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)ccc1OC1CCCC1 ZINC000059004080 823482021 /nfs/dbraw/zinc/48/20/21/823482021.db2.gz RZYLIJKXXXTGLP-UHFFFAOYSA-N 1 0 388.552 4.209 20 0 GIADRO CC[NH+]1CCC(NC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)CC1 ZINC000029605951 820483211 /nfs/dbraw/zinc/48/32/11/820483211.db2.gz RAJDYCOTCUETQO-UHFFFAOYSA-N 1 0 394.544 4.069 20 0 GIADRO O=C(N[C@H](c1cc2ccccc2o1)c1ccccc1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000573344685 823482283 /nfs/dbraw/zinc/48/22/83/823482283.db2.gz SUTZAGKSMNODBW-URFJDIBFSA-N 1 0 389.499 4.210 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccccc2NC(=O)c2ccccc2)C1 ZINC000059018185 823483523 /nfs/dbraw/zinc/48/35/23/823483523.db2.gz UHXVFQRCGGQXET-KDURUIRLSA-N 1 0 393.531 4.037 20 0 GIADRO Cc1coc(-c2cccc(NC(=O)N[C@@H]3CC[N@@H+](C)[C@@H]3c3ccccc3)c2)n1 ZINC000189725242 823482747 /nfs/dbraw/zinc/48/27/47/823482747.db2.gz XANJDTMRMBHRLX-WOJBJXKFSA-N 1 0 376.460 4.217 20 0 GIADRO Cc1cc(C)c(Br)c(C(=O)Nc2cccc(OCC[NH+](C)C)c2)c1 ZINC000460693643 823482908 /nfs/dbraw/zinc/48/29/08/823482908.db2.gz XUXFDUBDHMEBMI-UHFFFAOYSA-N 1 0 391.309 4.259 20 0 GIADRO C[N@@H+](Cc1cnc2ccccc2c1)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000410386402 823482910 /nfs/dbraw/zinc/48/29/10/823482910.db2.gz UJGRMNHQRGQZCS-KRWDZBQOSA-N 1 0 390.405 4.125 20 0 GIADRO C[C@@H]1C[C@@H](N(C)CC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)CC[N@@H+]1C ZINC000123243748 823484363 /nfs/dbraw/zinc/48/43/63/823484363.db2.gz VKBXONIMDZUZIN-BVYCBKJFSA-N 1 0 385.596 4.062 20 0 GIADRO COc1ccc(C[N@@H+]2CCCN(Cc3ccc(F)c4cccnc34)CC2)cc1 ZINC000029713122 820503999 /nfs/dbraw/zinc/50/39/99/820503999.db2.gz YCAACTXFUHGGDZ-UHFFFAOYSA-N 1 0 379.479 4.090 20 0 GIADRO C[C@H](N[C@H](c1nccs1)c1ccccc1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000123247678 823484598 /nfs/dbraw/zinc/48/45/98/823484598.db2.gz QDEQVYJJKAKJRZ-NYVOZVTQSA-N 1 0 393.556 4.112 20 0 GIADRO COc1ccc(C)cc1CNC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000029731925 820508410 /nfs/dbraw/zinc/50/84/10/820508410.db2.gz DNQXNOYUSQVBLW-UHFFFAOYSA-N 1 0 395.547 4.235 20 0 GIADRO Cc1c(C(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)cnn1C1CCCC1 ZINC000123248893 823485004 /nfs/dbraw/zinc/48/50/04/823485004.db2.gz QOQONQYJDNKWLG-GOSISDBHSA-N 1 0 380.536 4.043 20 0 GIADRO CC[NH+](CC)CCN(CC(C)C)C(=O)c1cnn(Cc2ccccc2Cl)c1 ZINC000059118134 823485546 /nfs/dbraw/zinc/48/55/46/823485546.db2.gz YLYGGILJRASMNA-UHFFFAOYSA-N 1 0 390.959 4.025 20 0 GIADRO COc1ccc(-c2nc(C)c(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)s2)cc1 ZINC000029787869 820519234 /nfs/dbraw/zinc/51/92/34/820519234.db2.gz JTXBZHUZCVTHBU-UHFFFAOYSA-N 1 0 387.549 4.166 20 0 GIADRO Cc1ccc(NC(=O)NCc2cccc(OCC[NH+](C)C)c2)cc1C(F)(F)F ZINC000410397357 823486155 /nfs/dbraw/zinc/48/61/55/823486155.db2.gz HODBOUOGQYEHIT-UHFFFAOYSA-N 1 0 395.425 4.276 20 0 GIADRO CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029827901 820526318 /nfs/dbraw/zinc/52/63/18/820526318.db2.gz JVVJZAXWXSCCIQ-UZLBHIALSA-N 1 0 393.487 4.433 20 0 GIADRO C[C@H]1CCc2ccccc2N1C(=O)C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029827955 820526947 /nfs/dbraw/zinc/52/69/47/820526947.db2.gz IBSDTRJBIXRULA-PKOBYXMFSA-N 1 0 389.499 4.375 20 0 GIADRO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1c[nH]nc1-c1ccccc1 ZINC000029830442 820528044 /nfs/dbraw/zinc/52/80/44/820528044.db2.gz WTRKFUMPHYWHJQ-FQEVSTJZSA-N 1 0 394.906 4.297 20 0 GIADRO C[NH+](C)CCOc1cccc(CNC(=O)N[C@@H](c2ccccc2)C(C)(C)C)c1 ZINC000410398151 823486556 /nfs/dbraw/zinc/48/65/56/823486556.db2.gz OHAAQSZMXZFUPH-NRFANRHFSA-N 1 0 383.536 4.214 20 0 GIADRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1occc1COc1ccccc1 ZINC000029841439 820530262 /nfs/dbraw/zinc/53/02/62/820530262.db2.gz ZYYUIXPQVWCNCQ-UHFFFAOYSA-N 1 0 390.483 4.037 20 0 GIADRO Cc1ccc(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1NC(=O)Nc1ccccc1 ZINC000177543930 823486812 /nfs/dbraw/zinc/48/68/12/823486812.db2.gz ZGLUFIVRAGZWEL-VQTJNVASSA-N 1 0 394.519 4.242 20 0 GIADRO CCN(CC)C(=O)[C@@H]([NH2+][C@H]1c2ccccc2CC12CCOCC2)c1ccccc1 ZINC000573409790 823489737 /nfs/dbraw/zinc/48/97/37/823489737.db2.gz RSFKSBQVKAVOEI-GOTSBHOMSA-N 1 0 392.543 4.280 20 0 GIADRO CC[C@H](CNC(=O)CCCc1c[nH]c2ccccc12)[N@@H+]1CCc2ccccc2C1 ZINC000029909081 820545863 /nfs/dbraw/zinc/54/58/63/820545863.db2.gz NICHACJNNWSGNE-JOCHJYFZSA-N 1 0 389.543 4.444 20 0 GIADRO CC[C@@H](CNC(=O)CCc1cc2ccccc2o1)[N@@H+]1CCc2ccccc2C1 ZINC000029911238 820546041 /nfs/dbraw/zinc/54/60/41/820546041.db2.gz ZDIRHXIQJLEMIU-NRFANRHFSA-N 1 0 376.500 4.319 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Cc1c(C)[nH]c2ccccc21)Cc1ccccc1 ZINC000029921044 820548603 /nfs/dbraw/zinc/54/86/03/820548603.db2.gz KUMYSCKGNRUEDW-FQEVSTJZSA-N 1 0 377.532 4.088 20 0 GIADRO CC(C)[NH+](CCNc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])C(C)C ZINC000029923627 820549303 /nfs/dbraw/zinc/54/93/03/820549303.db2.gz QTRRPGXVTLEZQA-UHFFFAOYSA-N 1 0 378.351 4.053 20 0 GIADRO C[C@H]1C[N@@H+](C2CCN(Cc3cc(Cl)cc(C(F)(F)F)c3)CC2)CCO1 ZINC000189751510 823487972 /nfs/dbraw/zinc/48/79/72/823487972.db2.gz JXCRDESZBHMMTE-ZDUSSCGKSA-N 1 0 376.850 4.044 20 0 GIADRO C[C@@H](C1CC1)n1cc(NC(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)cn1 ZINC000189751709 823487979 /nfs/dbraw/zinc/48/79/79/823487979.db2.gz UCRJDMIFRWXIBB-MSOLQXFVSA-N 1 0 387.572 4.363 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@@H](O)c1cccc(OC(C)C)c1)CC3 ZINC000123269496 823488440 /nfs/dbraw/zinc/48/84/40/823488440.db2.gz BEDDIBDODRGELB-BXKMTCNYSA-N 1 0 394.515 4.144 20 0 GIADRO C[C@@H](NC(=O)NCc1cccc(OCC[NH+](C)C)c1)c1cccc2ccccc21 ZINC000410407018 823489030 /nfs/dbraw/zinc/48/90/30/823489030.db2.gz NQNGEXHIPCYVOG-GOSISDBHSA-N 1 0 391.515 4.341 20 0 GIADRO COc1ccc(NC(=O)[C@H]([NH2+]CCOc2ccc(C)cc2)c2ccccc2)cc1 ZINC000030007779 820568166 /nfs/dbraw/zinc/56/81/66/820568166.db2.gz LEKVDLMHKYSQMB-HSZRJFAPSA-N 1 0 390.483 4.352 20 0 GIADRO C[C@H](NC(=O)NCc1cccc(OCC[NH+](C)C)c1)c1cccc2ccccc21 ZINC000410407149 823489089 /nfs/dbraw/zinc/48/90/89/823489089.db2.gz NQNGEXHIPCYVOG-SFHVURJKSA-N 1 0 391.515 4.341 20 0 GIADRO O=C(NCc1ccc(OCc2ccccc2)cc1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000410412057 823489985 /nfs/dbraw/zinc/48/99/85/823489985.db2.gz YLJPYNMEALJUIG-JOCHJYFZSA-N 1 0 393.531 4.035 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccccc1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000123306544 823494032 /nfs/dbraw/zinc/49/40/32/823494032.db2.gz RBXLKVYSMOIVJF-GLDPYIMESA-N 1 0 396.531 4.319 20 0 GIADRO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1ccccc1SCc1ccco1 ZINC000030318065 820599958 /nfs/dbraw/zinc/59/99/58/820599958.db2.gz HUHOELXZENAKQZ-UHFFFAOYSA-N 1 0 392.524 4.360 20 0 GIADRO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1Cc1csc(-c2ccc(C(N)=O)cc2)n1 ZINC000177558457 823490532 /nfs/dbraw/zinc/49/05/32/823490532.db2.gz QVLXDYIWNGIXOZ-QRWLVFNGSA-N 1 0 377.513 4.287 20 0 GIADRO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000573413337 823490933 /nfs/dbraw/zinc/49/09/33/823490933.db2.gz ZERXGXXOGFFCMI-PKTZIBPZSA-N 1 0 379.548 4.390 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccnc2Cl)ccc1OC(C)C ZINC000030492529 820622375 /nfs/dbraw/zinc/62/23/75/820622375.db2.gz ZQZJDXLYSAZBBC-UONOGXRCSA-N 1 0 391.899 4.209 20 0 GIADRO COc1ccccc1NC(=O)[C@H](C)[NH2+]Cc1cccc(COCc2ccco2)c1 ZINC000030511052 820627944 /nfs/dbraw/zinc/62/79/44/820627944.db2.gz WEBBKQNAPGKTJV-KRWDZBQOSA-N 1 0 394.471 4.122 20 0 GIADRO Cc1cccc(NC(=O)[C@@H](C)[NH2+]Cc2cccc(COCc3ccco3)c2)c1 ZINC000030511022 820627974 /nfs/dbraw/zinc/62/79/74/820627974.db2.gz MTNZTKRSYHCREW-GOSISDBHSA-N 1 0 378.472 4.422 20 0 GIADRO CCOc1ccc([C@@H]([NH2+]C[C@H](O)COc2ccc(F)cc2)c2ccccc2)cc1 ZINC000030537178 820635990 /nfs/dbraw/zinc/63/59/90/820635990.db2.gz TXEVXYBKDFIGJY-URXFXBBRSA-N 1 0 395.474 4.343 20 0 GIADRO COc1ccccc1[C@@H](C[NH2+]Cc1ccccc1OCc1cccnc1)N(C)C ZINC000030544275 820637286 /nfs/dbraw/zinc/63/72/86/820637286.db2.gz QIVUMMYXIAYGLZ-JOCHJYFZSA-N 1 0 391.515 4.062 20 0 GIADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cnc3ccccc3c2)cc1 ZINC000410421968 823492711 /nfs/dbraw/zinc/49/27/11/823492711.db2.gz KJNXPWKJURVDTE-KRWDZBQOSA-N 1 0 397.544 4.116 20 0 GIADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cccnc2SCc2ccc(F)cc2)C1 ZINC000177577736 823495260 /nfs/dbraw/zinc/49/52/60/823495260.db2.gz LGYOYFYRNJKASQ-ZWKOTPCHSA-N 1 0 387.524 4.116 20 0 GIADRO C[C@@H](C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1)n1cnc2ccccc21 ZINC000030606697 820649354 /nfs/dbraw/zinc/64/93/54/820649354.db2.gz ZCFMKYCXPVEGFO-IBGZPJMESA-N 1 0 390.531 4.146 20 0 GIADRO Cc1csc(SCc2ccc(C(=O)NCC[NH+]3CCCCCC3)cc2)n1 ZINC000059403090 823495265 /nfs/dbraw/zinc/49/52/65/823495265.db2.gz GYEWYXLKYGTOTJ-UHFFFAOYSA-N 1 0 389.590 4.350 20 0 GIADRO O=C(Nc1ccc(F)cc1)NC1CC[NH+](CCCCC2CCOCC2)CC1 ZINC000410423922 823493473 /nfs/dbraw/zinc/49/34/73/823493473.db2.gz PUUPNPYOPJWOAO-UHFFFAOYSA-N 1 0 377.504 4.009 20 0 GIADRO COCc1ccccc1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000030630648 820653569 /nfs/dbraw/zinc/65/35/69/820653569.db2.gz IQQAWDRUCMKSCC-UHFFFAOYSA-N 1 0 384.483 4.371 20 0 GIADRO O=C(C[N@H+]1CCC[C@H]1Cc1cccc(F)c1)Nc1ccc(N2CCCC2)cc1 ZINC000059404629 823495512 /nfs/dbraw/zinc/49/55/12/823495512.db2.gz AAWFTXCOJURGRJ-QFIPXVFZSA-N 1 0 381.495 4.072 20 0 GIADRO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]Cc1ccccc1Cn1ccnc1 ZINC000030652066 820658542 /nfs/dbraw/zinc/65/85/42/820658542.db2.gz AMEXKMFLKHDBQC-UHFFFAOYSA-N 1 0 385.515 4.083 20 0 GIADRO Cc1cc(C)c(C[NH2+]Cc2ccccc2S(=O)(=O)N2CCCCC2)c(C)c1 ZINC000030659811 820660002 /nfs/dbraw/zinc/66/00/02/820660002.db2.gz YGEXUUIRYVKWBY-UHFFFAOYSA-N 1 0 386.561 4.076 20 0 GIADRO COc1cc(C[NH2+]CC2CC2)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000030662260 820660673 /nfs/dbraw/zinc/66/06/73/820660673.db2.gz UCVQCFXOHXBAKX-UHFFFAOYSA-N 1 0 392.858 4.005 20 0 GIADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)Cc2csc(-c3ccc(Cl)s3)n2)C1 ZINC000177584614 823496602 /nfs/dbraw/zinc/49/66/02/823496602.db2.gz ARTHNSCALFGGDV-DGCLKSJQSA-N 1 0 383.970 4.057 20 0 GIADRO Clc1cc(Cl)c2nc(CN3CCC(OC[C@H]4CCCCO4)CC3)cn2c1 ZINC000177586427 823496712 /nfs/dbraw/zinc/49/67/12/823496712.db2.gz DQUBTBJOXMTHTG-QGZVFWFLSA-N 1 0 398.334 4.191 20 0 GIADRO Cc1cccc2nc(C3CC[NH+](CCC(=O)Nc4cccc(F)c4)CC3)oc21 ZINC000189800624 823496794 /nfs/dbraw/zinc/49/67/94/823496794.db2.gz PLBODWSIFPWDJQ-UHFFFAOYSA-N 1 0 381.451 4.484 20 0 GIADRO Cc1ccc(OC[C@@H](O)C[NH+]2CCC(c3nc4cccc(C)c4o3)CC2)cc1 ZINC000189813739 823500368 /nfs/dbraw/zinc/50/03/68/823500368.db2.gz AKDCJQBXRLDFIM-IBGZPJMESA-N 1 0 380.488 4.064 20 0 GIADRO C[NH+](C)Cc1ccc(NC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000030861903 820696092 /nfs/dbraw/zinc/69/60/92/820696092.db2.gz IHTNLSDCNIBVEB-UHFFFAOYSA-N 1 0 398.894 4.413 20 0 GIADRO CC(C)(CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000059850710 823500491 /nfs/dbraw/zinc/50/04/91/823500491.db2.gz IBSXKPIXVIWRME-GOSISDBHSA-N 1 0 389.927 4.347 20 0 GIADRO COc1ccc(OC(F)(F)F)c(C(=O)Nc2ccc(C)cc2C[NH+](C)C)c1 ZINC000410483329 823498484 /nfs/dbraw/zinc/49/84/84/823498484.db2.gz KEBBLXHDOUYRDH-UHFFFAOYSA-N 1 0 382.382 4.216 20 0 GIADRO Fc1ccc(-c2ccc(C[NH2+]Cc3ccccc3Cn3cncn3)s2)cc1 ZINC000030900739 820705158 /nfs/dbraw/zinc/70/51/58/820705158.db2.gz DUCJXLCMTNBBMO-UHFFFAOYSA-N 1 0 378.476 4.484 20 0 GIADRO Cc1cc(C[NH2+]Cc2cccnc2-n2cccn2)cc(C)c1OCc1ccccn1 ZINC000030902026 820705949 /nfs/dbraw/zinc/70/59/49/820705949.db2.gz XKAVGAPTHXAHAP-UHFFFAOYSA-N 1 0 399.498 4.148 20 0 GIADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)Cc2ccc(Cl)cc2)[C@H](C)C1 ZINC000410483280 823498689 /nfs/dbraw/zinc/49/86/89/823498689.db2.gz MPZWPDSXXXOEQT-YLJYHZDGSA-N 1 0 394.987 4.162 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1ncoc1-c1ccccc1Cl)C1CCCCC1 ZINC000460735141 823499611 /nfs/dbraw/zinc/49/96/11/823499611.db2.gz LHGYOJWHVSYWNS-QGZVFWFLSA-N 1 0 375.900 4.235 20 0 GIADRO CCCC[N@H+](CC(=O)Nc1cccc(C(=O)N(C)C)c1)[C@@H](C)c1ccccc1 ZINC000123346411 823499640 /nfs/dbraw/zinc/49/96/40/823499640.db2.gz NJMNRWXSKYVQSB-SFHVURJKSA-N 1 0 381.520 4.190 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)CC(F)(F)F)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000189835306 823503839 /nfs/dbraw/zinc/50/38/39/823503839.db2.gz XTZYUVOOUSYWHQ-SJCJKPOMSA-N 1 0 384.373 4.042 20 0 GIADRO COc1ccc([C@@H](Cc2ccccc2C)[NH2+]C[C@H](O)CC(F)(F)F)cc1OC ZINC000189837646 823504230 /nfs/dbraw/zinc/50/42/30/823504230.db2.gz GLOPDJSCEIPSMJ-QZTJIDSGSA-N 1 0 397.437 4.199 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)COc2cc(Cl)ccc2Cl)C1 ZINC000059989720 823504265 /nfs/dbraw/zinc/50/42/65/823504265.db2.gz APMGYKQVDKSTJI-PBHICJAKSA-N 1 0 393.314 4.324 20 0 GIADRO C[C@H](CNC(=O)N[C@@H]1CCSc2c(F)cccc21)[N@@H+]1CCc2ccccc2C1 ZINC000031106706 820745049 /nfs/dbraw/zinc/74/50/49/820745049.db2.gz VZXQSICKNCYMRQ-FOIQADDNSA-N 1 0 399.535 4.109 20 0 GIADRO COc1ccc(OCc2ccccn2)c(C[NH2+]CC[C@](C)(O)c2ccccc2)c1 ZINC000189844472 823505040 /nfs/dbraw/zinc/50/50/40/823505040.db2.gz QTOPIJZLSUKYDL-DEOSSOPVSA-N 1 0 392.499 4.057 20 0 GIADRO CC(C)c1ccc(CCNC(=O)NC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000031149420 820754701 /nfs/dbraw/zinc/75/47/01/820754701.db2.gz SIGDTMYENZOTRI-UHFFFAOYSA-N 1 0 393.575 4.359 20 0 GIADRO COc1ccc(OCc2nc(C[NH2+]CC[C@](C)(O)c3ccccc3)cs2)cc1 ZINC000189846394 823505255 /nfs/dbraw/zinc/50/52/55/823505255.db2.gz VRQSSQWBTUHUAV-QFIPXVFZSA-N 1 0 398.528 4.118 20 0 GIADRO CC[N@@H+](Cc1cc(-c2ccc(OC)cc2)no1)C[C@H]1COc2ccccc2O1 ZINC000031174523 820759413 /nfs/dbraw/zinc/75/94/13/820759413.db2.gz KYUZVTNTGLNWSF-IBGZPJMESA-N 1 0 380.444 4.012 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)NCc2nc(C3CC3)cs2)CC[N@@H+]1Cc1ccccc1 ZINC000123399482 823505678 /nfs/dbraw/zinc/50/56/78/823505678.db2.gz KJSDQYOTAGYUFK-APWZRJJASA-N 1 0 398.576 4.215 20 0 GIADRO COc1ccc(SCC(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000031201347 820767681 /nfs/dbraw/zinc/76/76/81/820767681.db2.gz YAYCHORFOXDCBS-UHFFFAOYSA-N 1 0 398.572 4.336 20 0 GIADRO Cc1ccc(-c2cc(C(=O)NC[C@H](c3cccs3)[NH+]3CCCC3)on2)cc1 ZINC000031210915 820770101 /nfs/dbraw/zinc/77/01/01/820770101.db2.gz SACPGLRSVNMDOI-GOSISDBHSA-N 1 0 381.501 4.278 20 0 GIADRO CCCCOc1c(Cl)cc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1OCC ZINC000123361366 823501334 /nfs/dbraw/zinc/50/13/34/823501334.db2.gz GSCTXCMUCGDHHD-WBVHZDCISA-N 1 0 396.959 4.472 20 0 GIADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cc(-c4ccc(C)cc4)no3)CC2)cc1 ZINC000031225801 820773754 /nfs/dbraw/zinc/77/37/54/820773754.db2.gz NEODFQFABFYKCG-UHFFFAOYSA-N 1 0 389.499 4.307 20 0 GIADRO Cc1ccc(-c2cc(C(=O)NCc3ccc(C[NH+]4CCCC4)cc3)on2)cc1 ZINC000031220263 820773858 /nfs/dbraw/zinc/77/38/58/820773858.db2.gz IVSOXAFWJLWVPC-UHFFFAOYSA-N 1 0 375.472 4.176 20 0 GIADRO CC[C@@H]([NH2+]Cc1sc(C)nc1C)c1ccccc1OCC(=O)N1CCCC1 ZINC000123366809 823502035 /nfs/dbraw/zinc/50/20/35/823502035.db2.gz WTKRHRYYBDTHIA-GOSISDBHSA-N 1 0 387.549 4.002 20 0 GIADRO Cc1ccc(C[C@H](C)NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)s1 ZINC000123367837 823502265 /nfs/dbraw/zinc/50/22/65/823502265.db2.gz LEEOVJHIXWZHGR-HNNXBMFYSA-N 1 0 389.540 4.090 20 0 GIADRO Cc1ccc(-c2nc(C)c(C(=O)NC[C@@H](c3ccsc3)[NH+](C)C)s2)o1 ZINC000031287083 820786403 /nfs/dbraw/zinc/78/64/03/820786403.db2.gz HIHOUXGQVQDHNN-AWEZNQCLSA-N 1 0 375.519 4.114 20 0 GIADRO c1cc(COc2ccc(C[NH+]3CCC(OC[C@H]4CCCCO4)CC3)cc2)ccn1 ZINC000177619848 823502681 /nfs/dbraw/zinc/50/26/81/823502681.db2.gz ACWVVWVRAKKQHB-XMMPIXPASA-N 1 0 396.531 4.211 20 0 GIADRO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000059924131 823502882 /nfs/dbraw/zinc/50/28/82/823502882.db2.gz AMRWMBIOYFMMRJ-ZDUSSCGKSA-N 1 0 393.890 4.294 20 0 GIADRO C[C@@H]1C[C@@H](N(C)CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)CC[N@@H+]1C ZINC000123376179 823502921 /nfs/dbraw/zinc/50/29/21/823502921.db2.gz VOEHSVWJKWGWPU-SIXWZSSISA-N 1 0 398.378 4.071 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@H](C[C@@H](C)O)c1ccccc1)CC3 ZINC000123376567 823503019 /nfs/dbraw/zinc/50/30/19/823503019.db2.gz LOLNRNVPEJCXQM-NZSAHSFTSA-N 1 0 378.516 4.178 20 0 GIADRO C[C@@H](NC(=O)c1cccc(C[NH+]2CCCC2)c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000059936442 823503417 /nfs/dbraw/zinc/50/34/17/823503417.db2.gz XOZTUYNMFRROCI-QGZVFWFLSA-N 1 0 391.515 4.122 20 0 GIADRO COc1ccc2cc(C(=O)NC[C@@H](c3cccc(Cl)c3)[NH+]3CCCC3)[nH]c2c1 ZINC000031418960 820808298 /nfs/dbraw/zinc/80/82/98/820808298.db2.gz ZGUKPCWGIDASCK-NRFANRHFSA-N 1 0 397.906 4.397 20 0 GIADRO NC(=O)c1cccc(C[NH2+][C@@H](CC2CC2)c2cc(F)cc(Br)c2)c1 ZINC000189900851 823511829 /nfs/dbraw/zinc/51/18/29/823511829.db2.gz TYJUVVHFRLRDFD-SFHVURJKSA-N 1 0 391.284 4.318 20 0 GIADRO O=C(C[C@@H](Cc1ccccc1)c1ccccc1)NCCc1cn2c(n1)CCCC2 ZINC000460768836 823507238 /nfs/dbraw/zinc/50/72/38/823507238.db2.gz GNFDDMMYUUVWJK-JOCHJYFZSA-N 1 0 387.527 4.295 20 0 GIADRO CCN(Cc1cccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1)C(C)=O ZINC000031588532 820829581 /nfs/dbraw/zinc/82/95/81/820829581.db2.gz MKTISIKRSFRQPO-UHFFFAOYSA-N 1 0 393.531 4.293 20 0 GIADRO Cc1nc(Cl)sc1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1C ZINC000177655269 823508290 /nfs/dbraw/zinc/50/82/90/823508290.db2.gz DLKDSBQVIAPOFN-UHFFFAOYSA-N 1 0 381.954 4.214 20 0 GIADRO COc1ccc(OCCCC(=O)Nc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000031621114 820835807 /nfs/dbraw/zinc/83/58/07/820835807.db2.gz ZHJABIPGQYPMPG-UHFFFAOYSA-N 1 0 382.504 4.479 20 0 GIADRO CCC1=C(C(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CCCO1 ZINC000189873545 823508701 /nfs/dbraw/zinc/50/87/01/823508701.db2.gz GCUZEODYZOQPQK-IFXJQAMLSA-N 1 0 380.891 4.063 20 0 GIADRO C[C@@H](C1CC1)[N@H+](CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)C1CC1 ZINC000031654565 820839681 /nfs/dbraw/zinc/83/96/81/820839681.db2.gz WOJBOBMLLQAQKK-INIZCTEOSA-N 1 0 377.488 4.140 20 0 GIADRO C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000060220736 823512484 /nfs/dbraw/zinc/51/24/84/823512484.db2.gz MJDUNHQIBIZZCK-HNNXBMFYSA-N 1 0 390.936 4.295 20 0 GIADRO Cc1cc(C(=O)CCC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)c(C)s1 ZINC000031765827 820856454 /nfs/dbraw/zinc/85/64/54/820856454.db2.gz ZXGBFJJXNMWXPF-UHFFFAOYSA-N 1 0 398.572 4.371 20 0 GIADRO C[C@@H](CNC(=O)c1cc(-c2ccncc2)nc2ccccc21)[NH+]1CCC(C)CC1 ZINC000060156532 823510084 /nfs/dbraw/zinc/51/00/84/823510084.db2.gz YAXBBBUIEGJEIR-SFHVURJKSA-N 1 0 388.515 4.147 20 0 GIADRO CN(C)c1ccc(CCC(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)cc1 ZINC000031900438 820872736 /nfs/dbraw/zinc/87/27/36/820872736.db2.gz TXKJSIWLIXTMHS-JOCHJYFZSA-N 1 0 399.966 4.292 20 0 GIADRO CCCCCC(=O)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000031955992 820878868 /nfs/dbraw/zinc/87/88/68/820878868.db2.gz RLNZFINGJDPDJW-UHFFFAOYSA-N 1 0 379.548 4.205 20 0 GIADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)c1cc2cc(F)ccc2s1 ZINC000031959885 820879497 /nfs/dbraw/zinc/87/94/97/820879497.db2.gz NLKWXANVAYUNHH-UHFFFAOYSA-N 1 0 378.538 4.132 20 0 GIADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C/C=C/c1ccccc1F ZINC000177670666 823511267 /nfs/dbraw/zinc/51/12/67/823511267.db2.gz XPBBZIWZGAOQTE-SOFGYWHQSA-N 1 0 397.494 4.018 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCCc1csc(C)n1 ZINC000177670518 823511317 /nfs/dbraw/zinc/51/13/17/823511317.db2.gz QXKMXUCADNDMTD-FQEVSTJZSA-N 1 0 385.577 4.145 20 0 GIADRO CCOC(=O)Nc1ccc(C(=O)NC[C@H](c2ccsc2)[NH+](CC)CC)cc1 ZINC000031986092 820884161 /nfs/dbraw/zinc/88/41/61/820884161.db2.gz FCKMYPPYUNGKFM-GOSISDBHSA-N 1 0 389.521 4.129 20 0 GIADRO Cc1ccc(-n2ncc(C(=O)NC[C@H]3CCC[N@@H+](C(C)C)C3)c2C(C)C)cc1 ZINC000060207128 823511672 /nfs/dbraw/zinc/51/16/72/823511672.db2.gz GBZYHGYMHSBEKT-LJQANCHMSA-N 1 0 382.552 4.154 20 0 GIADRO O=c1[nH]c2ccccc2cc1C[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000123465189 823511709 /nfs/dbraw/zinc/51/17/09/823511709.db2.gz YQTFNLBNWDMNCO-UHFFFAOYSA-N 1 0 398.388 4.435 20 0 GIADRO Cc1cccc(N2CC[NH+](Cc3ccc(NC(=O)Cc4ccccc4)cc3)CC2)c1 ZINC000032018803 820888617 /nfs/dbraw/zinc/88/86/17/820888617.db2.gz ZYUURSKTIQUHBI-UHFFFAOYSA-N 1 0 399.538 4.498 20 0 GIADRO O=C(CCc1c[nH]c2ccccc12)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000060221212 823512785 /nfs/dbraw/zinc/51/27/85/823512785.db2.gz VIXYJGSSTGRJDM-UHFFFAOYSA-N 1 0 393.556 4.331 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)c1ccccc1Br)c1cccc(-n2ccnc2)c1 ZINC000189911356 823512860 /nfs/dbraw/zinc/51/28/60/823512860.db2.gz LHWQNSJQXLENRU-IFXJQAMLSA-N 1 0 386.293 4.019 20 0 GIADRO O=C(NCc1ccnc(N2CCCCC2)c1)c1c(Cl)nccc1C(F)(F)F ZINC000123478716 823513148 /nfs/dbraw/zinc/51/31/48/823513148.db2.gz XTNLOEXPFXLZJU-UHFFFAOYSA-N 1 0 398.816 4.069 20 0 GIADRO CCOc1cccc2[nH]cc(CC(=O)Nc3ccc(C[NH+]4CCCC4)cc3)c21 ZINC000189916273 823513483 /nfs/dbraw/zinc/51/34/83/823513483.db2.gz KKURZKORZWSJJA-UHFFFAOYSA-N 1 0 377.488 4.344 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@H](c1ccccc1)C(C)(C)CO)CC3 ZINC000123483011 823513570 /nfs/dbraw/zinc/51/35/70/823513570.db2.gz WVTFNSVDSJRSFX-PGRDOPGGSA-N 1 0 392.543 4.426 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)CCCSc2ccc(Br)cc2)CC[N@@H+]1C ZINC000123487951 823513716 /nfs/dbraw/zinc/51/37/16/823513716.db2.gz RHZCKXSQPAMQJJ-GOEBONIOSA-N 1 0 399.398 4.263 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ncoc1-c1ccc(C)cc1 ZINC000460795180 823514370 /nfs/dbraw/zinc/51/43/70/823514370.db2.gz YXDSNYRQFUPNOT-UHFFFAOYSA-N 1 0 377.488 4.422 20 0 GIADRO CC(C)Oc1ccc(-c2nc(C(=O)N(C)[C@H]3CC[N@H+](C)[C@H](C)C3)cs2)cc1 ZINC000123502037 823515188 /nfs/dbraw/zinc/51/51/88/823515188.db2.gz YOGIVVZNRNWGQI-WBVHZDCISA-N 1 0 387.549 4.152 20 0 GIADRO Cc1csc(N2CCC([NH2+]Cc3ccccc3-n3nc(C)cc3C)CC2)n1 ZINC000123507197 823515756 /nfs/dbraw/zinc/51/57/56/823515756.db2.gz HYNSWPCPQJBSPU-UHFFFAOYSA-N 1 0 381.549 4.013 20 0 GIADRO C[C@H]([NH2+]Cc1ccccc1N1CCOCC1)c1ccc(Br)s1 ZINC000177716740 823515966 /nfs/dbraw/zinc/51/59/66/823515966.db2.gz WANPMYUDLUODSY-ZDUSSCGKSA-N 1 0 381.339 4.198 20 0 GIADRO Cc1sc(-c2ccco2)nc1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000032422028 820941201 /nfs/dbraw/zinc/94/12/01/820941201.db2.gz SJQSULLIWXWOGT-UHFFFAOYSA-N 1 0 381.501 4.237 20 0 GIADRO O=C(Cc1c(Cl)cccc1Cl)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000032462094 820949257 /nfs/dbraw/zinc/94/92/57/820949257.db2.gz UNVKLNXXABHZMZ-UHFFFAOYSA-N 1 0 377.315 4.448 20 0 GIADRO O=C(CSc1nc2ccccc2s1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000032462767 820949919 /nfs/dbraw/zinc/94/99/19/820949919.db2.gz UQTPWQFHFWLFBW-UHFFFAOYSA-N 1 0 397.569 4.301 20 0 GIADRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCc1nc(-c2ccccc2F)no1 ZINC000189955083 823517451 /nfs/dbraw/zinc/51/74/51/823517451.db2.gz YTOPYAWNEJBZCO-IAGOWNOFSA-N 1 0 394.494 4.122 20 0 GIADRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCc1noc(-c2ccsc2)n1 ZINC000189953356 823517519 /nfs/dbraw/zinc/51/75/19/823517519.db2.gz DXVDSLULNCHDTO-HOTGVXAUSA-N 1 0 382.533 4.044 20 0 GIADRO c1ccc(COc2ccc(C[N@H+](C[C@H]3CCCO3)[C@@H]3CCSC3)cc2)nc1 ZINC000123532402 823518473 /nfs/dbraw/zinc/51/84/73/823518473.db2.gz JSPKYHJUUWPCDN-IFMALSPDSA-N 1 0 384.545 4.147 20 0 GIADRO OCC[C@H]1CCC[C@H]1[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000189964054 823518566 /nfs/dbraw/zinc/51/85/66/823518566.db2.gz JYYXTPUOOJDFGC-NFBKMPQASA-N 1 0 375.516 4.239 20 0 GIADRO O=C(c1cc(-c2cccs2)on1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000060355369 823519068 /nfs/dbraw/zinc/51/90/68/823519068.db2.gz NSDKTKYIENYNLE-UHFFFAOYSA-N 1 0 395.528 4.184 20 0 GIADRO CCCc1cccc(C(C)C)c1NC(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000189966855 823519109 /nfs/dbraw/zinc/51/91/09/823519109.db2.gz WKEXJTLFNAPPJN-SFHVURJKSA-N 1 0 387.568 4.480 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)C[N@@H+](C)[C@@H](C)[C@@H](C)c2ccc(Cl)cc2)cc1 ZINC000177742517 823519170 /nfs/dbraw/zinc/51/91/70/823519170.db2.gz JPWHDZMWWGWUEW-CABCVRRESA-N 1 0 387.911 4.361 20 0 GIADRO COc1cc(F)c([C@H](C)[NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)cc1OC ZINC000177746629 823519814 /nfs/dbraw/zinc/51/98/14/823519814.db2.gz KPEZRESWOHOYHX-CABCVRRESA-N 1 0 386.467 4.382 20 0 GIADRO Brc1ccccc1C[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000060367055 823520259 /nfs/dbraw/zinc/52/02/59/823520259.db2.gz JCUQBCGMLYJLRM-UHFFFAOYSA-N 1 0 399.292 4.274 20 0 GIADRO COc1cc(F)c([C@@H](C)[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)cc1OC ZINC000177750097 823520442 /nfs/dbraw/zinc/52/04/42/823520442.db2.gz QJUOKCUDEQRWMH-UONOGXRCSA-N 1 0 388.439 4.211 20 0 GIADRO C[C@@H](CNC(=O)c1cc(-c2ccncc2)nc2ccccc21)[N@@H+]1CCCC[C@@H]1C ZINC000032732290 820999418 /nfs/dbraw/zinc/99/94/18/820999418.db2.gz KALZWUTYKXUMNQ-ROUUACIJSA-N 1 0 388.515 4.290 20 0 GIADRO C[C@@H](CNC(=O)c1cc(-c2cccnc2)nc2ccccc21)[N@@H+]1CCCC[C@@H]1C ZINC000032732316 820999476 /nfs/dbraw/zinc/99/94/76/820999476.db2.gz XXTWRDKYWHIBEQ-ROUUACIJSA-N 1 0 388.515 4.290 20 0 GIADRO C[C@@H]1C[NH+](CC2CCN(C(=O)Nc3cccc4ccccc43)CC2)C[C@@H](C)O1 ZINC000060368177 823520458 /nfs/dbraw/zinc/52/04/58/823520458.db2.gz SQYKVMQXISADKK-QZTJIDSGSA-N 1 0 381.520 4.193 20 0 GIADRO COc1cc(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)ccc1OCc1ccccc1 ZINC000032731675 820999817 /nfs/dbraw/zinc/99/98/17/820999817.db2.gz QXUMVIFBLHDMBD-OALUTQOASA-N 1 0 396.531 4.267 20 0 GIADRO CCc1ccc([C@@H](CNC(=O)CCSc2ccc(OC)cc2)[NH+](C)C)cc1 ZINC000032734064 821000255 /nfs/dbraw/zinc/00/02/55/821000255.db2.gz QPIIJSPASOCAKP-OAQYLSRUSA-N 1 0 386.561 4.159 20 0 GIADRO CCc1ccc([C@H](CNC(=O)c2cc(-c3ccccc3F)on2)[NH+](C)C)cc1 ZINC000032735245 821001206 /nfs/dbraw/zinc/00/12/06/821001206.db2.gz RVENOOVDHISJNG-FQEVSTJZSA-N 1 0 381.451 4.076 20 0 GIADRO CCOc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1ccc(N3CCOC3=O)cc1)CCO2 ZINC000177752357 823520578 /nfs/dbraw/zinc/52/05/78/823520578.db2.gz CTTCCXWXTCCDDE-QRWLVFNGSA-N 1 0 382.460 4.216 20 0 GIADRO COCC[C@H](Cc1cccc(F)c1)[NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000177751324 823520643 /nfs/dbraw/zinc/52/06/43/823520643.db2.gz ZLFLCOKLTPDVRW-OXQOHEQNSA-N 1 0 386.467 4.081 20 0 GIADRO CCCC[NH+]1CCN([C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000060370078 823520712 /nfs/dbraw/zinc/52/07/12/823520712.db2.gz DDMQYYBFAIJMIJ-AWEZNQCLSA-N 1 0 382.430 4.234 20 0 GIADRO CC[N@H+](CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2)Cc1ccccc1 ZINC000032758288 821003632 /nfs/dbraw/zinc/00/36/32/821003632.db2.gz MRVGJIMWVKWBCV-OAQYLSRUSA-N 1 0 394.515 4.034 20 0 GIADRO CCc1ccc(C(=O)CCC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000032761348 821003760 /nfs/dbraw/zinc/00/37/60/821003760.db2.gz KWPBWHOFXYOXCW-IBGZPJMESA-N 1 0 384.545 4.227 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000032761826 821004804 /nfs/dbraw/zinc/00/48/04/821004804.db2.gz VHIMFSNZEJMHGK-IBGZPJMESA-N 1 0 394.544 4.118 20 0 GIADRO Cc1c(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cnn1-c1ccc(C)cc1 ZINC000032762769 821004976 /nfs/dbraw/zinc/00/49/76/821004976.db2.gz IOZVCERJKRXGRD-FQEVSTJZSA-N 1 0 394.544 4.118 20 0 GIADRO Cc1cc(-n2c(C)cc(C(=O)NC[C@@H](c3cccs3)[NH+]3CCCC3)c2C)no1 ZINC000032762336 821005445 /nfs/dbraw/zinc/00/54/45/821005445.db2.gz KMLQDFWYRWCVMC-SFHVURJKSA-N 1 0 398.532 4.019 20 0 GIADRO Cc1ccc(-c2nc(C)c(C(=O)NCCC[N@@H+](C)Cc3ccccc3)s2)o1 ZINC000032766026 821005828 /nfs/dbraw/zinc/00/58/28/821005828.db2.gz PMGOSYQYJLWWDT-UHFFFAOYSA-N 1 0 383.517 4.272 20 0 GIADRO C=CCNC(=S)C(C(=O)c1ccc(Cl)s1)[n+]1ccc(CCC)cc1 ZINC000032813774 821010793 /nfs/dbraw/zinc/01/07/93/821010793.db2.gz PQZQSMYGRKADCW-UHFFFAOYSA-O 1 0 379.958 4.356 20 0 GIADRO COc1cccc([C@@H](CNC(=O)[C@@H](C)c2ccc(F)c(F)c2)[NH+]2CCCC2)c1 ZINC000460819734 823521549 /nfs/dbraw/zinc/52/15/49/823521549.db2.gz SOQNDWWMEZOVEX-YCRPNKLZSA-N 1 0 388.458 4.030 20 0 GIADRO COc1cccc(C[C@@H]([NH2+]Cc2ccc(Cn3cncn3)cc2)c2ccccc2)c1 ZINC000177772434 823523941 /nfs/dbraw/zinc/52/39/41/823523941.db2.gz YSIJMXSMENPCIQ-RUZDIDTESA-N 1 0 398.510 4.409 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)CC1 ZINC000060404351 823524045 /nfs/dbraw/zinc/52/40/45/823524045.db2.gz XBMYVHUKHOUVFL-UHFFFAOYSA-N 1 0 389.927 4.260 20 0 GIADRO C[C@H](CN1CCC[C@@H](C)C1)[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000123577265 823523113 /nfs/dbraw/zinc/52/31/13/823523113.db2.gz GNNRGFMFJTYOCX-OWCLPIDISA-N 1 0 385.474 4.133 20 0 GIADRO CCCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)c1C ZINC000060394486 823523329 /nfs/dbraw/zinc/52/33/29/823523329.db2.gz TWYYDKNAVZLQFN-HAHDFKILSA-N 1 0 398.595 4.391 20 0 GIADRO C[NH+]1CCN(c2ccc(NC(=O)c3ccc4c(c3)Cc3ccccc3-4)cc2)CC1 ZINC000033158302 821040462 /nfs/dbraw/zinc/04/04/62/821040462.db2.gz XRLBXHKSWNXSSK-UHFFFAOYSA-N 1 0 383.495 4.262 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)c2ccccc2COc2ccccc2)CC1 ZINC000060395241 823523368 /nfs/dbraw/zinc/52/33/68/823523368.db2.gz KURSCACSPDILSR-UHFFFAOYSA-N 1 0 380.532 4.458 20 0 GIADRO CCCOc1ccc(C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)cc1OCC ZINC000060395300 823523438 /nfs/dbraw/zinc/52/34/38/823523438.db2.gz FAGBQGXYBYFBAA-UHFFFAOYSA-N 1 0 376.541 4.067 20 0 GIADRO COc1cccc([C@H](CNC(=O)Cc2cccc3ccccc32)[NH+]2CCCC2)c1 ZINC000036350575 821071513 /nfs/dbraw/zinc/07/15/13/821071513.db2.gz VBCIAFLYBMGTKE-DEOSSOPVSA-N 1 0 388.511 4.344 20 0 GIADRO Brc1cccc(-c2ccc(C[NH2+]CCCOC[C@H]3CCOC3)o2)c1 ZINC000123646686 823529091 /nfs/dbraw/zinc/52/90/91/823529091.db2.gz WGGJRCFLUJZDLB-OAHLLOKOSA-N 1 0 394.309 4.242 20 0 GIADRO Cc1cc2occ(CC(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3C)c2cc1C ZINC000036666455 821074752 /nfs/dbraw/zinc/07/47/52/821074752.db2.gz AZFSCJGWNNTQOH-UHFFFAOYSA-N 1 0 391.515 4.291 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(OC(C)C)c(OC)c1)c1ccccc1 ZINC000036692859 821076277 /nfs/dbraw/zinc/07/62/77/821076277.db2.gz CNHDBRTYOGJGOF-FQEVSTJZSA-N 1 0 384.520 4.295 20 0 GIADRO CC(C)c1c(C(=O)NC2CC[NH+](C3CC3)CC2)cnn1-c1cccc(Cl)c1 ZINC000036741635 821080096 /nfs/dbraw/zinc/08/00/96/821080096.db2.gz KWCRFBNYBLRZSA-UHFFFAOYSA-N 1 0 386.927 4.006 20 0 GIADRO O=C(Cc1coc2cc3c(cc12)CCC3)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000036811859 821085685 /nfs/dbraw/zinc/08/56/85/821085685.db2.gz GETIHDYXKLQCBC-OAQYLSRUSA-N 1 0 392.499 4.400 20 0 GIADRO CCc1ccc(C(=O)CCC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000036883688 821088940 /nfs/dbraw/zinc/08/89/40/821088940.db2.gz VWKUKYZVHUROES-JOCHJYFZSA-N 1 0 378.516 4.165 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@@H](C)c2nc(-c3cccc(F)c3)no2)C1 ZINC000190039713 823529659 /nfs/dbraw/zinc/52/96/59/823529659.db2.gz XGEYDAZALUQVBG-YRNRMSPPSA-N 1 0 380.467 4.362 20 0 GIADRO COc1c(Br)cc(Br)cc1C[NH2+]C(C1CC1)C1CC1 ZINC000037230137 821091287 /nfs/dbraw/zinc/09/12/87/821091287.db2.gz LWRZJMFDVSMJFT-UHFFFAOYSA-N 1 0 389.131 4.498 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)OCO2)c1ccc(I)cc1 ZINC000037283453 821091584 /nfs/dbraw/zinc/09/15/84/821091584.db2.gz APFVVOGEZDDNLX-RYUDHWBXSA-N 1 0 395.240 4.432 20 0 GIADRO CC(C)c1ccc(NC(=S)NCC2([NH+]3CCOCC3)CCCCC2)cc1 ZINC000038261610 821095214 /nfs/dbraw/zinc/09/52/14/821095214.db2.gz FQHBJILTGWTHGA-UHFFFAOYSA-N 1 0 375.582 4.132 20 0 GIADRO Cc1cc(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)ccc1Br ZINC000038640597 821098283 /nfs/dbraw/zinc/09/82/83/821098283.db2.gz QCBSDNBWFGQOQV-UHFFFAOYSA-N 1 0 387.321 4.106 20 0 GIADRO Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000038629086 821098482 /nfs/dbraw/zinc/09/84/82/821098482.db2.gz JQVTXDLLKPDMCM-OAHLLOKOSA-N 1 0 389.908 4.398 20 0 GIADRO CCN(CCC[NH+](C)C)C(=O)c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000038795559 821100468 /nfs/dbraw/zinc/10/04/68/821100468.db2.gz LHGXAQGCPXLDJC-UHFFFAOYSA-N 1 0 382.533 4.015 20 0 GIADRO CCCCNC(=O)C1CCN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)CC1 ZINC000123614117 823526052 /nfs/dbraw/zinc/52/60/52/823526052.db2.gz YQDLZNOWLUQMNQ-UHFFFAOYSA-N 1 0 379.426 4.386 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)Cc2csc(-c3ccccc3)n2)CC1 ZINC000123616088 823526200 /nfs/dbraw/zinc/52/62/00/823526200.db2.gz QUXZTUSMCAQARW-UHFFFAOYSA-N 1 0 385.577 4.323 20 0 GIADRO O=C(c1cccnc1Sc1ccccc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000039263932 821104458 /nfs/dbraw/zinc/10/44/58/821104458.db2.gz PVRXTKUCUXXJGW-UHFFFAOYSA-N 1 0 381.545 4.323 20 0 GIADRO COc1cc2c(cc1OC)C[N@H+](Cc1ccccc1NCc1ccncc1)CC2 ZINC000123618880 823526562 /nfs/dbraw/zinc/52/65/62/823526562.db2.gz INCIMWZIGAIWDN-UHFFFAOYSA-N 1 0 389.499 4.269 20 0 GIADRO COC(=O)C[C@](C)([NH2+]Cc1ccc(Cl)c(Br)c1)c1ccncc1 ZINC000190019978 823526661 /nfs/dbraw/zinc/52/66/61/823526661.db2.gz UGLBKAKBYQNSOB-KRWDZBQOSA-N 1 0 397.700 4.066 20 0 GIADRO CC(C)n1cc([C@H](C)[NH2+]C[C@@H](O)c2cccc(OCc3ccccc3)c2)cn1 ZINC000123677527 823530837 /nfs/dbraw/zinc/53/08/37/823530837.db2.gz CBCWYKMBLRRDEX-FDDCHVKYSA-N 1 0 379.504 4.427 20 0 GIADRO COc1cc(C[N@@H+]2CC[C@H](O)[C@H](C)C2)ccc1OCc1ccc(Cl)cc1 ZINC000190055495 823531251 /nfs/dbraw/zinc/53/12/51/823531251.db2.gz WLIZHZZALAUBBB-BEFAXECRSA-N 1 0 375.896 4.130 20 0 GIADRO C[NH+]1CCC(Nc2ccccc2NC(=O)[C@H]2CCSc3ccccc32)CC1 ZINC000460862208 823531304 /nfs/dbraw/zinc/53/13/04/823531304.db2.gz IWNOJFPULVODCT-SFHVURJKSA-N 1 0 381.545 4.411 20 0 GIADRO CCOc1cccc2c1OCC(C(=O)NCc1ccccc1C[NH+](CC)CC)=C2 ZINC000060503937 823535427 /nfs/dbraw/zinc/53/54/27/823535427.db2.gz AZCRBODDUPGJGH-UHFFFAOYSA-N 1 0 394.515 4.019 20 0 GIADRO C[C@H]([NH2+][C@@H]1CC(C)(C)Oc2cc(F)ccc21)c1ccc(S(C)(=O)=O)cc1 ZINC000177826394 823531773 /nfs/dbraw/zinc/53/17/73/823531773.db2.gz QKFRAGMIWKEBGC-SCLBCKFNSA-N 1 0 377.481 4.182 20 0 GIADRO C[C@H]([NH2+][C@H]1CC(C)(C)Oc2cc(F)ccc21)c1ccc(S(C)(=O)=O)cc1 ZINC000177826410 823531890 /nfs/dbraw/zinc/53/18/90/823531890.db2.gz QKFRAGMIWKEBGC-UGSOOPFHSA-N 1 0 377.481 4.182 20 0 GIADRO COCCC[NH+]1CCC(NC(=O)C[C@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000460865366 823532018 /nfs/dbraw/zinc/53/20/18/823532018.db2.gz SRCRIYRBBOINIM-QHCPKHFHSA-N 1 0 394.559 4.020 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CCC(=O)c1ccc(F)cc1 ZINC000060475229 823532168 /nfs/dbraw/zinc/53/21/68/823532168.db2.gz IPOMOJGOSWIYCI-GOSISDBHSA-N 1 0 396.506 4.479 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)c1c(F)cccc1Cl)[NH+]1CCCCC1 ZINC000040615278 821162368 /nfs/dbraw/zinc/16/23/68/821162368.db2.gz HLLNJFPYDGQXFX-SFHVURJKSA-N 1 0 390.886 4.445 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)c1c(F)cccc1Cl)[NH+]1CCCCC1 ZINC000040615277 821162500 /nfs/dbraw/zinc/16/25/00/821162500.db2.gz HLLNJFPYDGQXFX-GOSISDBHSA-N 1 0 390.886 4.445 20 0 GIADRO Cc1ccc(C(=O)CCC(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1 ZINC000040654360 821163243 /nfs/dbraw/zinc/16/32/43/821163243.db2.gz GYYOFBZCEPBVLL-QFIPXVFZSA-N 1 0 378.516 4.220 20 0 GIADRO CC1CC[NH+]([C@@H](CNC(=O)c2cc(-c3ccco3)on2)c2ccccc2)CC1 ZINC000040654475 821164251 /nfs/dbraw/zinc/16/42/51/821164251.db2.gz ATRCFZNMTHNFCZ-IBGZPJMESA-N 1 0 379.460 4.138 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cccc2ccn(C)c21 ZINC000190067750 823533352 /nfs/dbraw/zinc/53/33/52/823533352.db2.gz WJDXOYIZWHAXPB-LJQANCHMSA-N 1 0 376.504 4.164 20 0 GIADRO Cc1ccc(-c2cnc(CCC(=O)NC[C@H](c3ccccc3)[NH+](C)C)o2)cc1 ZINC000041021039 821167218 /nfs/dbraw/zinc/16/72/18/821167218.db2.gz WNGVUUJOKOOVIT-HXUWFJFHSA-N 1 0 377.488 4.002 20 0 GIADRO Cn1ccc2cccc(NC(=O)NC[C@@H]3CCC[N@H+](Cc4cccs4)C3)c21 ZINC000190075317 823534405 /nfs/dbraw/zinc/53/44/05/823534405.db2.gz HUZFSXZLDLMCLK-INIZCTEOSA-N 1 0 382.533 4.274 20 0 GIADRO C[C@@H]1C[C@H]([N@H+](C)CCC(=O)Nc2ccccc2Oc2ccccc2)CCN1C ZINC000123741374 823536232 /nfs/dbraw/zinc/53/62/32/823536232.db2.gz SQPHZIZBAHPNMB-RTBURBONSA-N 1 0 381.520 4.222 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(C)c(NC(=O)C(C)(C)C)c1 ZINC000177852583 823536608 /nfs/dbraw/zinc/53/66/08/823536608.db2.gz NUARDQWJIOTROK-MSOLQXFVSA-N 1 0 386.540 4.070 20 0 GIADRO O[C@H](C[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1)c1ccccc1Cl ZINC000123789484 823540908 /nfs/dbraw/zinc/54/09/08/823540908.db2.gz WKGYZKYNTPNWEL-MRXNPFEDSA-N 1 0 388.876 4.015 20 0 GIADRO COc1ccccc1NC(=O)c1ccc(NC(=O)CC[N@@H+]2CC[C@@H](C)[C@H]2C)cc1 ZINC000177882711 823540846 /nfs/dbraw/zinc/54/08/46/823540846.db2.gz PNYHYWLDEBMFQE-IAGOWNOFSA-N 1 0 395.503 4.006 20 0 GIADRO COc1cccc([C@H](CNC(=O)c2cc(F)c(F)cc2Cl)[NH+]2CCCC2)c1 ZINC000041595423 821213650 /nfs/dbraw/zinc/21/36/50/821213650.db2.gz FWCXGOKOJJEDBY-IBGZPJMESA-N 1 0 394.849 4.194 20 0 GIADRO CN(C)C(=O)c1cc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)ccc1Cl ZINC000041616596 821214729 /nfs/dbraw/zinc/21/47/29/821214729.db2.gz AOCRLCIFNYXRBV-UHFFFAOYSA-N 1 0 399.922 4.280 20 0 GIADRO CC[N@@H+]1CC[C@@H](CN[C@@H](C)c2ccc(Br)cc2Br)C1 ZINC000041651881 821215698 /nfs/dbraw/zinc/21/56/98/821215698.db2.gz ISGLRIQTWKEOIT-RYUDHWBXSA-N 1 0 390.163 4.204 20 0 GIADRO CCSc1cc(Cl)ccc1C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000123747117 823536976 /nfs/dbraw/zinc/53/69/76/823536976.db2.gz BBNDVUPOAOMJHX-UHFFFAOYSA-N 1 0 384.973 4.025 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)CSCc1cccnc1)c1ccccc1Cl ZINC000041774841 821228362 /nfs/dbraw/zinc/22/83/62/821228362.db2.gz OIMAIUOTAYRHAT-IBGZPJMESA-N 1 0 391.968 4.168 20 0 GIADRO CCNC(=O)c1cccc(C[NH2+][C@H](CC)c2cccc(Br)c2)c1 ZINC000177884232 823541037 /nfs/dbraw/zinc/54/10/37/823541037.db2.gz GKYBMWRNGDFOQT-GOSISDBHSA-N 1 0 375.310 4.440 20 0 GIADRO Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC000041808723 821231963 /nfs/dbraw/zinc/23/19/63/821231963.db2.gz WRPDAQGFCUDBAJ-UHFFFAOYSA-N 1 0 389.540 4.126 20 0 GIADRO CCOc1c(Cl)cccc1CC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000190108303 823538147 /nfs/dbraw/zinc/53/81/47/823538147.db2.gz ZWHJZDSEORQPQN-DOTOQJQBSA-N 1 0 378.944 4.050 20 0 GIADRO CC(C)Oc1ccc(CC[C@H](C)NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cc1 ZINC000060549402 823541106 /nfs/dbraw/zinc/54/11/06/823541106.db2.gz NTZWYEQTARCICP-IBGZPJMESA-N 1 0 389.584 4.311 20 0 GIADRO CC[NH+](CC)[C@H](C)CNC(=O)c1ccccc1CSc1nc(C)cs1 ZINC000041913911 821245895 /nfs/dbraw/zinc/24/58/95/821245895.db2.gz QZGHRAPRCVUQOH-OAHLLOKOSA-N 1 0 377.579 4.204 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)c2nc3ccccc3s2)CC[N@@H+]1Cc1ccccc1 ZINC000123790538 823541172 /nfs/dbraw/zinc/54/11/72/823541172.db2.gz IKRIOHZTGPUAIY-SJLPKXTDSA-N 1 0 379.529 4.421 20 0 GIADRO Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H](C)CC(=O)N(C)c1ccccc1 ZINC000177870822 823539128 /nfs/dbraw/zinc/53/91/28/823539128.db2.gz FPAAIBKVSVTVBV-IBGZPJMESA-N 1 0 390.531 4.145 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)c1cc(C)n(C(C)C)c1C ZINC000060532698 823539134 /nfs/dbraw/zinc/53/91/34/823539134.db2.gz UUGYEMNXCSSOET-UHFFFAOYSA-N 1 0 385.552 4.336 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)NCc2ccc(COCC(F)(F)F)cc2)o1 ZINC000042041344 821256716 /nfs/dbraw/zinc/25/67/16/821256716.db2.gz DFDDFAZIGUAWPK-UHFFFAOYSA-N 1 0 398.425 4.130 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)C(=O)N[C@H](c2ccccc2)C2CCCCC2)c1 ZINC000042051166 821258215 /nfs/dbraw/zinc/25/82/15/821258215.db2.gz KKTVISXOWDVROZ-JOCHJYFZSA-N 1 0 393.531 4.125 20 0 GIADRO CCCCNC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)cc1 ZINC000177876596 823540000 /nfs/dbraw/zinc/54/00/00/823540000.db2.gz ALSQZRLCOBZUHP-KRWDZBQOSA-N 1 0 395.503 4.024 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)CCc2c[nH]c3ccccc23)CC1 ZINC000042127359 821270331 /nfs/dbraw/zinc/27/03/31/821270331.db2.gz GOVHZVZEPFIYDE-UHFFFAOYSA-N 1 0 375.516 4.190 20 0 GIADRO COc1ccc(C[NH2+][C@@H](C)c2ccc3c(c2)OCO3)cc1OCc1cccnc1 ZINC000042202983 821283574 /nfs/dbraw/zinc/28/35/74/821283574.db2.gz IKICMZGWSGWMRE-INIZCTEOSA-N 1 0 392.455 4.249 20 0 GIADRO CC(C)NC(=O)CC[NH2+]Cc1ccc(-c2ccccc2Br)s1 ZINC000042209730 821284765 /nfs/dbraw/zinc/28/47/65/821284765.db2.gz NMGJHYQCUBIIRS-UHFFFAOYSA-N 1 0 381.339 4.182 20 0 GIADRO CCOc1c(Cl)cc(C[NH2+]Cc2cc3c(cc2OC)C[C@H](C)O3)cc1OC ZINC000042208716 821285067 /nfs/dbraw/zinc/28/50/67/821285067.db2.gz ZEDUFLYNAUYWMV-ZDUSSCGKSA-N 1 0 391.895 4.369 20 0 GIADRO COc1ccc(C(=O)Nc2cccc(C[NH2+]CCc3nc(C)cs3)c2)cc1 ZINC000042228527 821288547 /nfs/dbraw/zinc/28/85/47/821288547.db2.gz FDOGDSVFNCHKLD-UHFFFAOYSA-N 1 0 381.501 4.045 20 0 GIADRO Cc1nn(-c2cccc(Cl)c2)c(Cl)c1CNC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000042229138 821288863 /nfs/dbraw/zinc/28/88/63/821288863.db2.gz SVFKRPAXDZDYHY-AWEZNQCLSA-N 1 0 379.335 4.061 20 0 GIADRO Brc1ccc(C[NH2+]Cc2cc3c(c(Br)c2)OCO3)cc1 ZINC000042395549 821306880 /nfs/dbraw/zinc/30/68/80/821306880.db2.gz AGBIWSCLLHMZAT-UHFFFAOYSA-N 1 0 399.082 4.230 20 0 GIADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1sc(-c2ccc(F)cc2)nc1C ZINC000042537239 821309942 /nfs/dbraw/zinc/30/99/42/821309942.db2.gz RWCDHURGHOLGKC-CQSZACIVSA-N 1 0 377.529 4.498 20 0 GIADRO CC[NH+](CC)CCC[C@H](C)NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1 ZINC000042538965 821310499 /nfs/dbraw/zinc/31/04/99/821310499.db2.gz CXYKQGNSYKFINW-HNNXBMFYSA-N 1 0 393.478 4.179 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)OCO2)C(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000042642646 821319135 /nfs/dbraw/zinc/31/91/35/821319135.db2.gz BNZLIEMMMSPCGW-ULQDDVLXSA-N 1 0 390.483 4.485 20 0 GIADRO CC(C)(C)n1nc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1C1CC1 ZINC000042766785 821332045 /nfs/dbraw/zinc/33/20/45/821332045.db2.gz VYKNUIWVAXMYIL-SFHVURJKSA-N 1 0 386.565 4.144 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)c2oc3ccc(F)cc3c2C)CC1 ZINC000060554840 823541662 /nfs/dbraw/zinc/54/16/62/823541662.db2.gz JTAVMTZPPSFFKO-UHFFFAOYSA-N 1 0 381.451 4.275 20 0 GIADRO CCCc1nc(C)c(C(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2C)s1 ZINC000042828153 821336253 /nfs/dbraw/zinc/33/62/53/821336253.db2.gz ZVENWIFMPNTQCH-UHFFFAOYSA-N 1 0 386.565 4.107 20 0 GIADRO C[C@@H](Oc1ccc(F)cc1Br)C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000043012380 821354632 /nfs/dbraw/zinc/35/46/32/821354632.db2.gz DAQVTHNRPKLIHO-GFCCVEGCSA-N 1 0 395.272 4.056 20 0 GIADRO CC[NH+]1CCC(N(C)C(=O)c2sc(-c3ccc(Cl)cc3)nc2C)CC1 ZINC000043066005 821358228 /nfs/dbraw/zinc/35/82/28/821358228.db2.gz JHUCZKSRTMWCQJ-UHFFFAOYSA-N 1 0 377.941 4.328 20 0 GIADRO CCCOc1c(Cl)cc(C(=O)N(C)C2CC[NH+](C(C)C)CC2)cc1OCC ZINC000043114551 821363026 /nfs/dbraw/zinc/36/30/26/821363026.db2.gz SMFLECBMQDUQAF-UHFFFAOYSA-N 1 0 396.959 4.472 20 0 GIADRO COc1cccc([C@@H]2CCCN2C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000043136504 821366683 /nfs/dbraw/zinc/36/66/83/821366683.db2.gz VOAOGFADAHQJDT-SFTDATJTSA-N 1 0 397.519 4.362 20 0 GIADRO C[C@H](c1nc2ccccc2s1)N(C)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000043144322 821367447 /nfs/dbraw/zinc/36/74/47/821367447.db2.gz YRODXDRZMTYNOT-UKRRQHHQSA-N 1 0 388.562 4.363 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1)c1cccs1 ZINC000043143606 821367634 /nfs/dbraw/zinc/36/76/34/821367634.db2.gz MZBLXTTVUHKLGZ-NVXWUHKLSA-N 1 0 398.532 4.081 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1cccc(OCc2cccnc2)c1)c1cccs1 ZINC000043145261 821368107 /nfs/dbraw/zinc/36/81/07/821368107.db2.gz CQFARXIRBLSCBP-LJQANCHMSA-N 1 0 396.516 4.147 20 0 GIADRO CN(Cc1cccc2ccccc21)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000043167014 821371712 /nfs/dbraw/zinc/37/17/12/821371712.db2.gz QTGZPTFWBASCCX-OAQYLSRUSA-N 1 0 377.488 4.411 20 0 GIADRO CC(C)[NH+]1CCC(NC(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)CC1 ZINC000043168252 821372689 /nfs/dbraw/zinc/37/26/89/821372689.db2.gz BIYHRXRFDIEESF-INIZCTEOSA-N 1 0 386.565 4.058 20 0 GIADRO C[C@@H](NC(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccc(Br)cc1 ZINC000043187914 821376225 /nfs/dbraw/zinc/37/62/25/821376225.db2.gz VKOVADGHEOQCDQ-OAHLLOKOSA-N 1 0 394.357 4.028 20 0 GIADRO CC(C)CO[C@@H]1CC[N@H+](Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC000180634005 821376682 /nfs/dbraw/zinc/37/66/82/821376682.db2.gz VQKANWFOVSGRNJ-HSZRJFAPSA-N 1 0 390.531 4.240 20 0 GIADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N(Cc1ccco1)Cc1ccco1 ZINC000043231948 821378407 /nfs/dbraw/zinc/37/84/07/821378407.db2.gz RBHSYRYCKKEEMO-IBGZPJMESA-N 1 0 399.516 4.483 20 0 GIADRO CC[C@@H]([NH2+]Cc1ccc2oc(C(=O)OC)cc2c1)c1ccc2c(c1)OCCO2 ZINC000180640037 821378804 /nfs/dbraw/zinc/37/88/04/821378804.db2.gz ZAQOPAXHFJUXCU-QGZVFWFLSA-N 1 0 381.428 4.232 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(Br)cc1F)c1ccsc1 ZINC000043259616 821381678 /nfs/dbraw/zinc/38/16/78/821381678.db2.gz BOUUNAYJTNUGNL-AWEZNQCLSA-N 1 0 386.290 4.074 20 0 GIADRO COC(=O)CC[C@H]([NH2+]C1CCC2(CC1)C(=O)Nc1ccccc12)c1ccccc1 ZINC000180669990 821389299 /nfs/dbraw/zinc/38/92/99/821389299.db2.gz LMYJGSDWCPPHGW-WLBKGHODSA-N 1 0 392.499 4.103 20 0 GIADRO COc1cccc([C@H](CNC(=O)N(C)[C@@H]2CCc3ccccc32)[NH+]2CCCC2)c1 ZINC000043306933 821389515 /nfs/dbraw/zinc/38/95/15/821389515.db2.gz AFHQYOINOBRZAE-PKTZIBPZSA-N 1 0 393.531 4.161 20 0 GIADRO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)N1CCC[C@@H]1c1ccncc1 ZINC000043307146 821389711 /nfs/dbraw/zinc/38/97/11/821389711.db2.gz IXFSLZKGWIUNOI-RTWAWAEBSA-N 1 0 398.938 4.419 20 0 GIADRO Cc1ccc(NC(=O)NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)c(F)c1 ZINC000043324593 821392278 /nfs/dbraw/zinc/39/22/78/821392278.db2.gz NBAZRCCANKSGLE-IRXDYDNUSA-N 1 0 385.483 4.065 20 0 GIADRO COc1ccccc1NC(=O)C[C@H](C)[NH2+]CCOc1ccccc1C(F)(F)F ZINC000180678580 821393165 /nfs/dbraw/zinc/39/31/65/821393165.db2.gz ORCOUEPTGWENJN-AWEZNQCLSA-N 1 0 396.409 4.100 20 0 GIADRO CCOc1ccccc1NC(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000043333086 821394293 /nfs/dbraw/zinc/39/42/93/821394293.db2.gz RXJGYUBHVCLTCT-HXUWFJFHSA-N 1 0 383.492 4.053 20 0 GIADRO CC(C)(CCO)C[NH2+][C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000180684804 821394406 /nfs/dbraw/zinc/39/44/06/821394406.db2.gz MGNLEKJORMPNCA-HXUWFJFHSA-N 1 0 375.896 4.199 20 0 GIADRO CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000180689298 821396201 /nfs/dbraw/zinc/39/62/01/821396201.db2.gz LWDACNFAPPGZIH-LIRRHRJNSA-N 1 0 394.437 4.308 20 0 GIADRO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000180689283 821396243 /nfs/dbraw/zinc/39/62/43/821396243.db2.gz LWDACNFAPPGZIH-KUHUBIRLSA-N 1 0 394.437 4.308 20 0 GIADRO COc1ccccc1[C@@H]([NH2+][C@H](C)c1ccc(-n2cnnn2)cc1)c1ccccc1 ZINC000180693551 821398949 /nfs/dbraw/zinc/39/89/49/821398949.db2.gz CHSPHEPDENEURO-HXOBKFHXSA-N 1 0 385.471 4.111 20 0 GIADRO CCOc1ccc(NC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)cc1OCC ZINC000043417263 821405356 /nfs/dbraw/zinc/40/53/56/821405356.db2.gz MXRIAJGWYSYNFC-GOSISDBHSA-N 1 0 389.471 4.048 20 0 GIADRO CC(C)C[NH+]1CCC(NC(=O)Nc2ccc(Br)cc2Cl)CC1 ZINC000043420408 821405649 /nfs/dbraw/zinc/40/56/49/821405649.db2.gz OUBIQBGPIJHHME-UHFFFAOYSA-N 1 0 388.737 4.344 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)Nc1ccccc1N1CCCC1 ZINC000043485959 821414223 /nfs/dbraw/zinc/41/42/23/821414223.db2.gz UKLIQGVODRHKFZ-HXUWFJFHSA-N 1 0 382.508 4.229 20 0 GIADRO Cc1cc(N2CCCC2)ccc1NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000043496836 821418334 /nfs/dbraw/zinc/41/83/34/821418334.db2.gz POWLZQNUFLLBQQ-HXUWFJFHSA-N 1 0 382.508 4.147 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)N(C)[C@@H](C)c3cccs3)c(C)c2)CC1 ZINC000043522635 821421829 /nfs/dbraw/zinc/42/18/29/821421829.db2.gz VULARFQJVSEAGJ-KRWDZBQOSA-N 1 0 386.565 4.423 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)NCCSc3ccccc3)c(C)c2)CC1 ZINC000043522743 821421844 /nfs/dbraw/zinc/42/18/44/821421844.db2.gz GULYIWBQQXPXIT-UHFFFAOYSA-N 1 0 398.576 4.051 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@@H](CC1CCC1)c1ccccc1 ZINC000180739256 821427006 /nfs/dbraw/zinc/42/70/06/821427006.db2.gz SGIIMLUBLSZSCH-QFIPXVFZSA-N 1 0 393.531 4.043 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)NC[C@@H]2CCCc3ccccc32)CC1 ZINC000043574513 821428525 /nfs/dbraw/zinc/42/85/25/821428525.db2.gz FLUXBPMMHXSSPZ-FQEVSTJZSA-N 1 0 392.547 4.070 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)N[C@H](C)c2ccc(SC)cc2)CC1 ZINC000043574418 821428529 /nfs/dbraw/zinc/42/85/29/821428529.db2.gz MNEYWUOEEBUQOF-QGZVFWFLSA-N 1 0 398.576 4.433 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)N(C)[C@@H]2CCCc3ccccc32)CC1 ZINC000043574509 821428533 /nfs/dbraw/zinc/42/85/33/821428533.db2.gz JJDWKTLFKKMDDV-JOCHJYFZSA-N 1 0 392.547 4.370 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)N2CCC[C@@H]2c2ccccc2)CC1 ZINC000043574705 821429279 /nfs/dbraw/zinc/42/92/79/821429279.db2.gz AKEBUVXNZMITQS-OAQYLSRUSA-N 1 0 378.520 4.198 20 0 GIADRO CN(Cc1ccc(F)cc1F)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000043636951 821434526 /nfs/dbraw/zinc/43/45/26/821434526.db2.gz BRMOXFCVTWNVGS-KRWDZBQOSA-N 1 0 379.476 4.005 20 0 GIADRO CS(=O)(=O)c1cccc([C@@H]([NH2+]C[C@@H]2CCCS2)c2ccc(Cl)cc2)c1 ZINC000180753105 821434799 /nfs/dbraw/zinc/43/47/99/821434799.db2.gz LUJWNFFWQZIFRN-HKUYNNGSSA-N 1 0 395.977 4.318 20 0 GIADRO C[C@H]([NH2+]CCCC(=O)N1Cc2ccccc2C1)c1ccc(F)cc1OC(F)F ZINC000180757134 821437492 /nfs/dbraw/zinc/43/74/92/821437492.db2.gz UAWZAZNYNRDREY-AWEZNQCLSA-N 1 0 392.421 4.400 20 0 GIADRO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H](C)C(=O)Nc1ccccc1 ZINC000180761694 821440098 /nfs/dbraw/zinc/44/00/98/821440098.db2.gz QPQWXCPYUNERQR-KGLIPLIRSA-N 1 0 393.409 4.039 20 0 GIADRO CC[NH+](CC)CCOc1ccc(NC(=O)c2cc(-c3csc(C)n3)c[nH]2)cc1 ZINC000043689901 821441922 /nfs/dbraw/zinc/44/19/22/821441922.db2.gz ARRSDXSKJJZNIN-UHFFFAOYSA-N 1 0 398.532 4.420 20 0 GIADRO CC[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1ccc2cc(OC)ccc2c1 ZINC000180767739 821443901 /nfs/dbraw/zinc/44/39/01/821443901.db2.gz YXFUOJGKRPFNPP-MSOLQXFVSA-N 1 0 380.410 4.052 20 0 GIADRO CC(C)C[C@H](NC(=O)NC1CC[NH+](Cc2ccccn2)CC1)c1ccccc1 ZINC000043715786 821445460 /nfs/dbraw/zinc/44/54/60/821445460.db2.gz DXNSLYYRXNFLLU-QFIPXVFZSA-N 1 0 380.536 4.133 20 0 GIADRO O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000043718550 821446399 /nfs/dbraw/zinc/44/63/99/821446399.db2.gz ILTVYRKTDMHMKV-NRFANRHFSA-N 1 0 398.938 4.150 20 0 GIADRO O=c1cc(C[NH2+][C@@H](Cc2ccc(Cl)cc2)c2ccccc2)nc2ccccn12 ZINC000180777195 821451040 /nfs/dbraw/zinc/45/10/40/821451040.db2.gz XGOFSGYXBWVDMB-NRFANRHFSA-N 1 0 389.886 4.422 20 0 GIADRO COc1ccc([C@@H]([NH2+][C@@H]2CCN(C(=O)C3CCCC3)C2)c2ccccc2)cc1 ZINC000180781161 821453808 /nfs/dbraw/zinc/45/38/08/821453808.db2.gz IXLWWTOAJJKREC-GGAORHGYSA-N 1 0 378.516 4.165 20 0 GIADRO COc1ccc([C@H]([NH2+][C@@H]2CCN(C(=O)C3CCCC3)C2)c2ccccc2)cc1 ZINC000180781144 821453853 /nfs/dbraw/zinc/45/38/53/821453853.db2.gz IXLWWTOAJJKREC-FYYLOGMGSA-N 1 0 378.516 4.165 20 0 GIADRO Cc1cccc([C@H]([NH2+]CC(=O)Nc2ccc(C(=O)N(C)C)cc2)C(C)(C)C)c1 ZINC000180788254 821458772 /nfs/dbraw/zinc/45/87/72/821458772.db2.gz PXJDNHRXDBPQHW-NRFANRHFSA-N 1 0 381.520 4.012 20 0 GIADRO C[C@@H]([NH2+]CCNC(=O)c1c(F)cccc1F)c1nc(-c2ccccc2)cs1 ZINC000180788567 821459550 /nfs/dbraw/zinc/45/95/50/821459550.db2.gz QEKLLCSAGUYTBI-CYBMUJFWSA-N 1 0 387.455 4.169 20 0 GIADRO C[NH+]1CCN(c2ccccc2NC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000043799740 821460753 /nfs/dbraw/zinc/46/07/53/821460753.db2.gz KLSKDERCLYEKOP-HXUWFJFHSA-N 1 0 398.938 4.461 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc(NC(=O)C(C)C)cc2)cc1 ZINC000043804451 821461480 /nfs/dbraw/zinc/46/14/80/821461480.db2.gz FZDPMBBYIBOCAC-UHFFFAOYSA-N 1 0 381.520 4.053 20 0 GIADRO c1cc(Oc2ccccc2)oc1C[NH2+]Cc1cccc(CN2CCOCC2)c1 ZINC000180798639 821464651 /nfs/dbraw/zinc/46/46/51/821464651.db2.gz GCMBOVKQCPHXGR-UHFFFAOYSA-N 1 0 378.472 4.194 20 0 GIADRO Cn1cc(C[N@@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c(-c2ccccc2)n1 ZINC000180805064 821467845 /nfs/dbraw/zinc/46/78/45/821467845.db2.gz LKWGFLMWXKQAMM-QGZVFWFLSA-N 1 0 389.425 4.140 20 0 GIADRO O=C(Nc1cccc(CNCc2ccc(Oc3ccccc3)o2)c1)[C@H]1CCCO1 ZINC000180819440 821478699 /nfs/dbraw/zinc/47/86/99/821478699.db2.gz MPOKKCXEMLWWFZ-OAQYLSRUSA-N 1 0 392.455 4.479 20 0 GIADRO COc1ccc(NC(=O)NC2CC[NH+](C3CC3)CC2)cc1Cc1ccccc1 ZINC000043875975 821481341 /nfs/dbraw/zinc/48/13/41/821481341.db2.gz MLEBANUVWOJIKY-UHFFFAOYSA-N 1 0 379.504 4.034 20 0 GIADRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2nc(-c3cc(Cl)ccc3Cl)cs2)C1 ZINC000180827238 821483823 /nfs/dbraw/zinc/48/38/23/821483823.db2.gz RQGDYQVIHHSTBL-ZDUSSCGKSA-N 1 0 398.359 4.417 20 0 GIADRO Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000180830047 821484730 /nfs/dbraw/zinc/48/47/30/821484730.db2.gz JDXMNVVPKVIIMH-AWEZNQCLSA-N 1 0 393.329 4.214 20 0 GIADRO Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@@H](C)c1cccnc1Cl ZINC000180829415 821484769 /nfs/dbraw/zinc/48/47/69/821484769.db2.gz RSLYSURFITUDRC-LBPRGKRZSA-N 1 0 396.716 4.485 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)Nc1ccc(F)cc1C(F)(F)F ZINC000180840417 821489278 /nfs/dbraw/zinc/48/92/78/821489278.db2.gz PXYUXIRCWZAURW-UHFFFAOYSA-N 1 0 396.388 4.278 20 0 GIADRO CC(C)[NH+]1CCC(NC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)CC1 ZINC000043932351 821491055 /nfs/dbraw/zinc/49/10/55/821491055.db2.gz OESWKBCINGPDTP-UHFFFAOYSA-N 1 0 378.476 4.489 20 0 GIADRO COc1ccc2c(c1)C[C@H]([NH2+]CCCc1nc(-c3ccncc3)cs1)CC2 ZINC000180849197 821493225 /nfs/dbraw/zinc/49/32/25/821493225.db2.gz RUDNFVUHCIRPSM-LJQANCHMSA-N 1 0 379.529 4.293 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)CO[C@@H](C)c1ccc(Cl)cc1)c1ccc(-n2cccn2)cc1 ZINC000180851626 821495542 /nfs/dbraw/zinc/49/55/42/821495542.db2.gz DSLYEOUOJSGZMB-PNLZDCPESA-N 1 0 399.922 4.315 20 0 GIADRO O=C([C@@H](c1ccccc1)[NH+]1CCC([C@H](O)c2ccccc2)CC1)N1CCCCC1 ZINC000043998867 821499707 /nfs/dbraw/zinc/49/97/07/821499707.db2.gz KKZXLTRQZCSKQK-DNQXCXABSA-N 1 0 392.543 4.186 20 0 GIADRO COc1cc(Br)ccc1C(=O)Nc1ccc(C)cc1C[NH+](C)C ZINC000180861985 821500469 /nfs/dbraw/zinc/50/04/69/821500469.db2.gz GCQZYWIKETXOPB-UHFFFAOYSA-N 1 0 377.282 4.080 20 0 GIADRO COCCOc1ccc(NCc2ccccc2N(C)C2CC[NH+](C)CC2)c(C)c1 ZINC000180864317 821501060 /nfs/dbraw/zinc/50/10/60/821501060.db2.gz FJQJMHQJBZMXII-UHFFFAOYSA-N 1 0 397.563 4.163 20 0 GIADRO C[C@H](NC(=O)Nc1ccc(OC(F)(F)F)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180864671 821501230 /nfs/dbraw/zinc/50/12/30/821501230.db2.gz TZZBSNYXJLRMML-UONOGXRCSA-N 1 0 385.430 4.360 20 0 GIADRO CC[NH+](CC)CCN(CC(C)C)C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1 ZINC000044016879 821503174 /nfs/dbraw/zinc/50/31/74/821503174.db2.gz ONVZEDFADWXIKM-UHFFFAOYSA-N 1 0 390.572 4.047 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)Nc1cccc(OC(F)(F)F)c1 ZINC000044018106 821504772 /nfs/dbraw/zinc/50/47/72/821504772.db2.gz JYQAWBNJUWJNBU-OAHLLOKOSA-N 1 0 383.370 4.137 20 0 GIADRO COc1ccc([C@@H](CNC(=S)N[C@@H](C)c2ccccc2)[NH+]2CCCC2)cc1 ZINC000044054576 821513359 /nfs/dbraw/zinc/51/33/59/821513359.db2.gz QKMUMLCFUUPWQN-LAUBAEHRSA-N 1 0 383.561 4.057 20 0 GIADRO C[C@@H]([NH2+]CC(=O)NCc1ccc(Cl)cc1)c1ccc(-c2ccncc2)cc1 ZINC000180886303 821513634 /nfs/dbraw/zinc/51/36/34/821513634.db2.gz SQCHBWOXWXJQSO-MRXNPFEDSA-N 1 0 379.891 4.369 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)Nc2cccc(NC(=O)C(C)C)c2)cc1 ZINC000044084009 821519897 /nfs/dbraw/zinc/51/98/97/821519897.db2.gz PLQVLWPXWOSTSD-UHFFFAOYSA-N 1 0 396.535 4.445 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1)C(=O)NCc1ccccc1F ZINC000180896727 821521661 /nfs/dbraw/zinc/52/16/61/821521661.db2.gz WISNVFDJIJSBAH-DLBZAZTESA-N 1 0 377.463 4.243 20 0 GIADRO O=C(NCC1([NH+]2CCCCC2)CCCCC1)Nc1cccc(NC(=O)C2CC2)c1 ZINC000044103271 821523941 /nfs/dbraw/zinc/52/39/41/821523941.db2.gz DKGSAJOFEDWXLN-UHFFFAOYSA-N 1 0 398.551 4.345 20 0 GIADRO C[C@@H]([NH2+]CCc1nc(-c2cccc(Cl)c2)no1)c1ccc2c(c1)OCCCO2 ZINC000180901377 821525488 /nfs/dbraw/zinc/52/54/88/821525488.db2.gz OYQDRFFWJNHPPX-CQSZACIVSA-N 1 0 399.878 4.445 20 0 GIADRO C[C@H]([NH2+]CC(=O)N1CCC[C@H](C(F)(F)F)C1)c1ccc(-c2ccncc2)cc1 ZINC000180914259 821534000 /nfs/dbraw/zinc/53/40/00/821534000.db2.gz CEQNUBBOIPSNCW-KXBFYZLASA-N 1 0 391.437 4.200 20 0 GIADRO C[C@H]([NH2+]CC(=O)N1CCC[C@@H](C(F)(F)F)C1)c1ccc(-c2ccncc2)cc1 ZINC000180914295 821534187 /nfs/dbraw/zinc/53/41/87/821534187.db2.gz CEQNUBBOIPSNCW-HNAYVOBHSA-N 1 0 391.437 4.200 20 0 GIADRO COc1ccc(CN2CC[C@H]([NH2+][C@H](C)c3oc4ccccc4c3C)C2=O)cc1 ZINC000180917238 821536667 /nfs/dbraw/zinc/53/66/67/821536667.db2.gz IIHYMCKNBOHCNJ-UZLBHIALSA-N 1 0 378.472 4.202 20 0 GIADRO CCc1ccccc1NC(=S)NCc1ccc(OCC[NH+](CC)CC)cc1 ZINC000044158423 821538325 /nfs/dbraw/zinc/53/83/25/821538325.db2.gz MBGGOXURYUQZGO-UHFFFAOYSA-N 1 0 385.577 4.456 20 0 GIADRO COc1ccc(CN2CC[C@@H]([NH2+][C@H]3C[C@H](C)Sc4sccc43)C2=O)cc1 ZINC000180921930 821539287 /nfs/dbraw/zinc/53/92/87/821539287.db2.gz MJTLGGUKYMXWFC-VHSSKADRSA-N 1 0 388.558 4.073 20 0 GIADRO CC(=O)c1ccc(NC(=S)NC2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000044220744 821549266 /nfs/dbraw/zinc/54/92/66/821549266.db2.gz FNSIPLKIEDSWEX-UHFFFAOYSA-N 1 0 381.545 4.149 20 0 GIADRO S=C(Nc1cc(Cl)cc(Cl)c1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000044222230 821549558 /nfs/dbraw/zinc/54/95/58/821549558.db2.gz YNIGHCVCBUDDHH-UHFFFAOYSA-N 1 0 395.359 4.339 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(F)cc1F)c1ccc(OCC(F)(F)F)cc1 ZINC000180947942 821552325 /nfs/dbraw/zinc/55/23/25/821552325.db2.gz QPGYOTCPOJGZEF-LLVKDONJSA-N 1 0 388.336 4.195 20 0 GIADRO C[C@H]([NH2+]Cc1cc(F)cc2c1OCOC2)c1ccc(OCC(F)(F)F)cc1 ZINC000180954421 821554299 /nfs/dbraw/zinc/55/42/99/821554299.db2.gz FXRRMUKJBJXCAQ-LBPRGKRZSA-N 1 0 385.357 4.484 20 0 GIADRO CCc1nc2ccccc2n1C1CC[NH+](Cc2ccc(C(=O)OC)c(F)c2)CC1 ZINC000180958658 821556555 /nfs/dbraw/zinc/55/65/55/821556555.db2.gz HQSJNRGDWWEINN-UHFFFAOYSA-N 1 0 395.478 4.362 20 0 GIADRO COc1ccc([C@H]2CCCN2C(=O)Nc2cccc(C[NH+](C)C)c2)c(OC)c1 ZINC000044277445 821558480 /nfs/dbraw/zinc/55/84/80/821558480.db2.gz RKEKUJHLNLYEDT-HXUWFJFHSA-N 1 0 383.492 4.134 20 0 GIADRO CS(=O)(=O)c1cccc([C@@H]([NH2+][C@@H]2CCOC3(CCCC3)C2)c2ccccc2)c1 ZINC000180962460 821558455 /nfs/dbraw/zinc/55/84/55/821558455.db2.gz QXPMREFUCKAGII-IRLDBZIGSA-N 1 0 399.556 4.261 20 0 GIADRO CCc1nc2ccccc2n1C1CC[NH+](CCC(=O)Nc2ccccc2F)CC1 ZINC000180963910 821559060 /nfs/dbraw/zinc/55/90/60/821559060.db2.gz BCDKEGBORVMKFO-UHFFFAOYSA-N 1 0 394.494 4.404 20 0 GIADRO CCc1nc2ccccc2n1C1CC[NH+](CC(=O)N[C@@H](C)c2cccs2)CC1 ZINC000180964534 821559698 /nfs/dbraw/zinc/55/96/98/821559698.db2.gz BBPIGWDBHBKVLP-INIZCTEOSA-N 1 0 396.560 4.175 20 0 GIADRO CC[C@@H]([NH2+]C1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1)c1cccs1 ZINC000180969759 821563160 /nfs/dbraw/zinc/56/31/60/821563160.db2.gz AUUAXMHEBDZZEJ-QGZVFWFLSA-N 1 0 388.533 4.111 20 0 GIADRO COc1ccc(C(=O)N2CCC([NH2+][C@H](C)c3cccc(C)c3C)CC2)cc1OC ZINC000180972156 821564885 /nfs/dbraw/zinc/56/48/85/821564885.db2.gz ZPLXMKGFIGIVRZ-GOSISDBHSA-N 1 0 396.531 4.276 20 0 GIADRO CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000180980026 821570813 /nfs/dbraw/zinc/57/08/13/821570813.db2.gz ZBJCGQJGGNQCII-LPMFXHHGSA-N 1 0 381.925 4.170 20 0 GIADRO CCOc1ccc([C@@H]([NH2+]CC2(CO)CCOCC2)c2ccccc2Cl)cc1 ZINC000180984149 821574112 /nfs/dbraw/zinc/57/41/12/821574112.db2.gz MSTOSACOZOUSQZ-OAQYLSRUSA-N 1 0 389.923 4.207 20 0 GIADRO CCn1c2ccccc2nc1[C@H](C)[NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000180990361 821578489 /nfs/dbraw/zinc/57/84/89/821578489.db2.gz YYUYMENFCUQQAB-CVEARBPZSA-N 1 0 378.476 4.425 20 0 GIADRO O=C(Nc1cccc(COc2cccc(F)c2)c1)NC1CC[NH+](C2CC2)CC1 ZINC000044377426 821580987 /nfs/dbraw/zinc/58/09/87/821580987.db2.gz ZRMOZXMJEDQJGR-UHFFFAOYSA-N 1 0 383.467 4.153 20 0 GIADRO O[C@@H]1CC[N@H+](Cc2ccccc2CNCc2ccc(-c3c(F)cccc3F)o2)C1 ZINC000180995426 821582379 /nfs/dbraw/zinc/58/23/79/821582379.db2.gz IUELRIQOJSWDPN-GOSISDBHSA-N 1 0 398.453 4.081 20 0 GIADRO O=C(CCOc1ccc(F)cc1Cl)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000044466297 821588627 /nfs/dbraw/zinc/58/86/27/821588627.db2.gz BFWXJFXZTIQWEC-UHFFFAOYSA-N 1 0 390.886 4.029 20 0 GIADRO Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CCc2nc(-c3ccccn3)cs2)c1C ZINC000181007702 821589747 /nfs/dbraw/zinc/58/97/47/821589747.db2.gz QDXRJROFFCAHCK-MRXNPFEDSA-N 1 0 394.544 4.371 20 0 GIADRO CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000181009085 821590375 /nfs/dbraw/zinc/59/03/75/821590375.db2.gz KXNQBVWVKWTVRU-QGZVFWFLSA-N 1 0 397.544 4.376 20 0 GIADRO C[C@H]([NH2+]CCc1nc(-c2ccccn2)cs1)c1ccc(-n2ccnc2)cc1 ZINC000181008363 821590455 /nfs/dbraw/zinc/59/04/55/821590455.db2.gz QGVBWZHSCFFQKI-INIZCTEOSA-N 1 0 375.501 4.284 20 0 GIADRO CC[C@@H]([NH2+]CCc1nc(-c2ccccn2)cs1)c1ccc2c(c1)OCCO2 ZINC000181009387 821591045 /nfs/dbraw/zinc/59/10/45/821591045.db2.gz UPDRHACISAFYKB-MRXNPFEDSA-N 1 0 381.501 4.260 20 0 GIADRO COc1ccc2c(c1)[C@@H]([NH2+]CCc1nc(-c3ccccn3)cs1)CCCO2 ZINC000181011485 821592200 /nfs/dbraw/zinc/59/22/00/821592200.db2.gz YLUZZCDXHNZIPC-KRWDZBQOSA-N 1 0 381.501 4.260 20 0 GIADRO C[C@@H]([NH2+]CCc1nc(-c2ccccn2)cs1)c1cccc(N2CCOC2=O)c1 ZINC000181012235 821592826 /nfs/dbraw/zinc/59/28/26/821592826.db2.gz HMWVLEXWIMGZFF-OAHLLOKOSA-N 1 0 394.500 4.055 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+]CCc2nc(-c3ccccn3)cs2)s1 ZINC000181012634 821592989 /nfs/dbraw/zinc/59/29/89/821592989.db2.gz ZWFFLBAODRAZNR-ZDUSSCGKSA-N 1 0 388.562 4.052 20 0 GIADRO Cc1cc(C(=O)N2CCC(CCC[NH+](C)C)CC2)nn1-c1cccc(Cl)c1 ZINC000181016348 821595239 /nfs/dbraw/zinc/59/52/39/821595239.db2.gz MYJYFMOEQYQIHB-UHFFFAOYSA-N 1 0 388.943 4.028 20 0 GIADRO Cc1nc(CSc2ccccc2C(=O)NCC[N@H+]2CCCC[C@@H]2C)cs1 ZINC000044532909 821601206 /nfs/dbraw/zinc/60/12/06/821601206.db2.gz SKDFPQONMOABRO-HNNXBMFYSA-N 1 0 389.590 4.348 20 0 GIADRO Cc1ccoc1C(=O)NCCC[NH2+][C@@H](C)c1ccc(SCC(F)F)cc1 ZINC000181075938 821620493 /nfs/dbraw/zinc/62/04/93/821620493.db2.gz CIRYJARWHHCBGO-AWEZNQCLSA-N 1 0 382.476 4.416 20 0 GIADRO C[C@@H]([NH2+]C[C@H](O)c1c(F)cccc1F)c1ccc(OCC(F)(F)F)cc1 ZINC000181104827 821634310 /nfs/dbraw/zinc/63/43/10/821634310.db2.gz OFKMZDHWMCFBGE-BZNIZROVSA-N 1 0 375.337 4.290 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)c1c(Cl)cccc1Cl)c1ccc(N2CCOC2=O)cc1 ZINC000181105885 821635025 /nfs/dbraw/zinc/63/50/25/821635025.db2.gz UCCBENXZOCXPJQ-YVEFUNNKSA-N 1 0 395.286 4.334 20 0 GIADRO CCOCCN(C)C(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000181106073 821635834 /nfs/dbraw/zinc/63/58/34/821635834.db2.gz KRXNEBBTMSLCKK-UHFFFAOYSA-N 1 0 395.547 4.127 20 0 GIADRO Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H](O)c1c(Cl)cccc1Cl ZINC000181106194 821635867 /nfs/dbraw/zinc/63/58/67/821635867.db2.gz YRZQXXMKIGHHRR-CXAGYDPISA-N 1 0 381.303 4.342 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)c1c(Cl)cccc1Cl)c1cccc(N2CCOC2=O)c1 ZINC000181107980 821636937 /nfs/dbraw/zinc/63/69/37/821636937.db2.gz VOLNIRIPOONDPG-SJKOYZFVSA-N 1 0 395.286 4.334 20 0 GIADRO CC(C)=CCOc1ccc(CC[C@@H](C)[NH2+]C2CCC(S(C)(=O)=O)CC2)cc1 ZINC000181113141 821640604 /nfs/dbraw/zinc/64/06/04/821640604.db2.gz HPRJARABROBKIZ-HOHBBMLPSA-N 1 0 393.593 4.298 20 0 GIADRO COC(=O)c1coc(C[NH2+][C@H](Cc2ccc(F)cc2)c2ccc(OC)cc2)c1 ZINC000181139670 821658220 /nfs/dbraw/zinc/65/82/20/821658220.db2.gz IWZWUCXNNYLKEI-OAQYLSRUSA-N 1 0 383.419 4.288 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+][C@H]1CCN(c2ccc(C)cc2)C1=O ZINC000181144848 821662401 /nfs/dbraw/zinc/66/24/01/821662401.db2.gz DOACUGWGPVFPGV-KXBFYZLASA-N 1 0 392.528 4.278 20 0 GIADRO C[NH+]1CCN(c2ccc(NC(=O)c3cccc(Cl)c3)c(C(F)(F)F)c2)CC1 ZINC000044796561 821663881 /nfs/dbraw/zinc/66/38/81/821663881.db2.gz BPJUCGKUHRCYED-UHFFFAOYSA-N 1 0 397.828 4.363 20 0 GIADRO COc1ccccc1NC(=O)C1CC[NH+]([C@H](C)c2nc3ccccc3o2)CC1 ZINC000181156007 821668646 /nfs/dbraw/zinc/66/86/46/821668646.db2.gz ABSSAHAOWVUFSL-OAHLLOKOSA-N 1 0 379.460 4.248 20 0 GIADRO Fc1ccc([C@@H]([NH2+]C[C@H]2COC3(CCOCC3)O2)c2ccccc2Cl)cc1 ZINC000181158776 821670918 /nfs/dbraw/zinc/67/09/18/821670918.db2.gz SNZFMTLGJOTNEW-FXAWDEMLSA-N 1 0 391.870 4.080 20 0 GIADRO COc1ccc(O[C@@H](C)C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000044876489 821675548 /nfs/dbraw/zinc/67/55/48/821675548.db2.gz JBUUBWMKUKVKBO-IBGZPJMESA-N 1 0 396.531 4.011 20 0 GIADRO CCN(CC)C(=O)c1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000044915007 821680449 /nfs/dbraw/zinc/68/04/49/821680449.db2.gz JRZIKOIHVVJTOE-HXUWFJFHSA-N 1 0 393.531 4.019 20 0 GIADRO CSc1ccc(CN(C)C(=O)C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)cc1 ZINC000181179943 821681147 /nfs/dbraw/zinc/68/11/47/821681147.db2.gz WWDUBKFLLMATKJ-DENIHFKCSA-N 1 0 398.572 4.124 20 0 GIADRO C[C@@H](C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1)Oc1ccccc1Cl ZINC000181182252 821682064 /nfs/dbraw/zinc/68/20/64/821682064.db2.gz OJZNBMJSZGMBAH-STQMWFEESA-N 1 0 385.888 4.001 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc(NC(C)=O)c(SC)c2)cc1 ZINC000044957741 821683396 /nfs/dbraw/zinc/68/33/96/821683396.db2.gz PUALWAUNMYTKTG-UHFFFAOYSA-N 1 0 399.560 4.139 20 0 GIADRO Cc1cc2ncc([C@H](C)[NH2+]Cc3ccc(OCC(F)(F)F)cc3)c(C)n2n1 ZINC000181192655 821688131 /nfs/dbraw/zinc/68/81/31/821688131.db2.gz DMFCZTNXDMQPAS-ZDUSSCGKSA-N 1 0 378.398 4.138 20 0 GIADRO CCOC(=O)COc1ccc(CC[NH2+][C@H](C)c2cnc3ccsc3c2)cc1 ZINC000181198513 821692039 /nfs/dbraw/zinc/69/20/39/821692039.db2.gz ZMXSLTFUNKQMCE-OAHLLOKOSA-N 1 0 384.501 4.132 20 0 GIADRO Cc1cc2ncc([C@H](C)[NH2+][C@@H](C)c3ccc(NC(=O)NC4CC4)cc3)c(C)n2n1 ZINC000181203831 821695742 /nfs/dbraw/zinc/69/57/42/821695742.db2.gz VHLMHOXLAMQAND-GJZGRUSLSA-N 1 0 392.507 4.042 20 0 GIADRO CCC(CC)n1nc(C)cc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000181215421 821702284 /nfs/dbraw/zinc/70/22/84/821702284.db2.gz OUMMPYCRPPOLFS-UYAOXDASSA-N 1 0 382.552 4.336 20 0 GIADRO Cc1c([C@H](C)[NH2+]Cc2ccc([S@@](C)=O)cc2)cnn1-c1cccc(Cl)c1 ZINC000181245802 821716422 /nfs/dbraw/zinc/71/64/22/821716422.db2.gz FXPKKEOYZKDZRE-RMKBEBRYSA-N 1 0 387.936 4.422 20 0 GIADRO COc1cccc2[nH]cc(CC(=O)NC3CC[NH+]([C@@H](C)c4ccccc4)CC3)c21 ZINC000181246203 821717020 /nfs/dbraw/zinc/71/70/20/821717020.db2.gz WETPVLWKAQCREC-KRWDZBQOSA-N 1 0 391.515 4.061 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1ccc([S@@](C)=O)cc1 ZINC000181247380 821717159 /nfs/dbraw/zinc/71/71/59/821717159.db2.gz COZUPPKGFRDEGF-CRWJGOAPSA-N 1 0 380.916 4.146 20 0 GIADRO C[C@H]([NH2+][C@H]1CC(C)(C)OC1(C)C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000181260980 821722152 /nfs/dbraw/zinc/72/21/52/821722152.db2.gz WAYLHPIXFFIRBJ-KXBFYZLASA-N 1 0 379.566 4.400 20 0 GIADRO Cc1cccc(C)c1NC(=O)CCC[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000181269156 821725488 /nfs/dbraw/zinc/72/54/88/821725488.db2.gz GNJIIIMPMSETFQ-SFHVURJKSA-N 1 0 395.503 4.330 20 0 GIADRO CCC[C@H]([NH2+][C@H]1CCc2nc(COC)nn2C1)c1ccc(Cl)cc1Cl ZINC000181293261 821739235 /nfs/dbraw/zinc/73/92/35/821739235.db2.gz RYSNWNFKSDXGNK-BBRMVZONSA-N 1 0 383.323 4.177 20 0 GIADRO CCC[C@@H]([NH2+][C@H]1CCc2nc(COC)nn2C1)c1ccc(Cl)c(Cl)c1 ZINC000181295518 821740952 /nfs/dbraw/zinc/74/09/52/821740952.db2.gz YDWQHRBJTKBZBX-XJKSGUPXSA-N 1 0 383.323 4.177 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@H](C)c1ccc([S@](C)=O)cc1 ZINC000181299596 821742794 /nfs/dbraw/zinc/74/27/94/821742794.db2.gz ZBPUROPJRWKJBV-VCQIMIBNSA-N 1 0 387.471 4.211 20 0 GIADRO CC(C)n1nccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000181301368 821743243 /nfs/dbraw/zinc/74/32/43/821743243.db2.gz MMYVJTBZZXVQJU-SJORKVTESA-N 1 0 377.492 4.204 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1nnc(C(C)(C)C)s1)c1ccc(-c2cccnc2)cc1 ZINC000181305361 821745734 /nfs/dbraw/zinc/74/57/34/821745734.db2.gz NHLCCUYNIGVHKW-AWEZNQCLSA-N 1 0 395.532 4.187 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000181306425 821746473 /nfs/dbraw/zinc/74/64/73/821746473.db2.gz ZBPWHQRWAAFROA-NEPJUHHUSA-N 1 0 383.414 4.245 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000181306371 821746489 /nfs/dbraw/zinc/74/64/89/821746489.db2.gz ZBPWHQRWAAFROA-NWDGAFQWSA-N 1 0 383.414 4.245 20 0 GIADRO CCOc1ccc(C(C)=O)cc1C[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000181311134 821749553 /nfs/dbraw/zinc/74/95/53/821749553.db2.gz KGHWSPLCEVWVJV-OAHLLOKOSA-N 1 0 382.460 4.095 20 0 GIADRO Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CCOc2ccc(C(F)(F)F)cn2)c1C ZINC000181326168 821760230 /nfs/dbraw/zinc/76/02/30/821760230.db2.gz OGXQZMXCGZMFQI-CQSZACIVSA-N 1 0 395.425 4.103 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@@H]2CCCOc3c(F)cccc32)cc(OC)c1OC ZINC000181328221 821762094 /nfs/dbraw/zinc/76/20/94/821762094.db2.gz AUFYRHNDCCEISF-SUMWQHHRSA-N 1 0 375.440 4.416 20 0 GIADRO CCNC(=O)N1CC[C@@H]([NH2+][C@H](C)c2sc(-c3ccc(Cl)cc3)nc2C)C1 ZINC000181335530 821767089 /nfs/dbraw/zinc/76/70/89/821767089.db2.gz JCUKFGFATJVYQN-MLGOLLRUSA-N 1 0 392.956 4.226 20 0 GIADRO COc1cccc2[nH]cc(CC[NH2+][C@H](C)c3ncc(Br)s3)c21 ZINC000181336613 821767694 /nfs/dbraw/zinc/76/76/94/821767694.db2.gz JNJXIEMWTBVTCU-SNVBAGLBSA-N 1 0 380.311 4.289 20 0 GIADRO COc1cccc2[nH]cc(CC[NH2+][C@@H](C)CC(=O)Nc3ccc(C)cc3C)c21 ZINC000181336262 821767782 /nfs/dbraw/zinc/76/77/82/821767782.db2.gz SZDHIFRRTAJXLE-KRWDZBQOSA-N 1 0 379.504 4.343 20 0 GIADRO CCn1c(C[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)nc2c1cccc2F ZINC000181337010 821768296 /nfs/dbraw/zinc/76/82/96/821768296.db2.gz VCVMHFDZERFVNO-AWEZNQCLSA-N 1 0 382.439 4.003 20 0 GIADRO CC(C)c1ccccc1OC[C@H](O)C[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000181338557 821769819 /nfs/dbraw/zinc/76/98/19/821769819.db2.gz JKQMHAVFNCMFQT-GHTZIAJQSA-N 1 0 396.531 4.027 20 0 GIADRO O[C@@H](C[NH2+][C@H]1CCSc2ccccc21)COc1ccccc1Br ZINC000181359919 821786550 /nfs/dbraw/zinc/78/65/50/821786550.db2.gz YQVQNHACERNMFY-BBRMVZONSA-N 1 0 394.334 4.016 20 0 GIADRO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]Cc1nc(C2CC2)cs1 ZINC000181365613 821790395 /nfs/dbraw/zinc/79/03/95/821790395.db2.gz CVWWZCNVDZLADZ-ZDUSSCGKSA-N 1 0 377.941 4.201 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+]Cc2ccc(OCC(F)(F)F)cc2)s1 ZINC000181374339 821793736 /nfs/dbraw/zinc/79/37/36/821793736.db2.gz CEBMNNCBUPDPCV-LBPRGKRZSA-N 1 0 388.455 4.432 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)OC)c(F)c2)cc1OCC ZINC000181386468 821799480 /nfs/dbraw/zinc/79/94/80/821799480.db2.gz OCQYWNFVXHBOAR-CQSZACIVSA-N 1 0 375.440 4.261 20 0 GIADRO CCc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000181387623 821799922 /nfs/dbraw/zinc/79/99/22/821799922.db2.gz ZEKGAGDRYGSBQC-IRXDYDNUSA-N 1 0 379.504 4.054 20 0 GIADRO Cc1ccc2c(C[NH2+][C@@H](C)c3ccc(N4CCCC4=O)cc3)cc(=O)oc2c1C ZINC000181390230 821801287 /nfs/dbraw/zinc/80/12/87/821801287.db2.gz MPKCZUCIQVQDHS-KRWDZBQOSA-N 1 0 390.483 4.387 20 0 GIADRO OC[C@@H]([NH2+][C@H]1CCSc2c(F)cccc21)c1cccc(Br)c1 ZINC000181392349 821802630 /nfs/dbraw/zinc/80/26/30/821802630.db2.gz ROASBSPMJMMQAT-JKSUJKDBSA-N 1 0 382.298 4.448 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+]CC(C)(C)N2CCc3ccccc3C2)s1 ZINC000181392307 821802828 /nfs/dbraw/zinc/80/28/28/821802828.db2.gz YJBNASFCZUEITN-MRXNPFEDSA-N 1 0 387.593 4.128 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+]CCOc2cccc(C(F)(F)F)c2)s1 ZINC000181397313 821806221 /nfs/dbraw/zinc/80/62/21/821806221.db2.gz QPZYGOQXUHIWDH-GFCCVEGCSA-N 1 0 388.455 4.389 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CC(=O)NCCc1ccccc1 ZINC000181409374 821810632 /nfs/dbraw/zinc/81/06/32/821810632.db2.gz JKGJNAIKOBCYQJ-INIZCTEOSA-N 1 0 379.529 4.128 20 0 GIADRO Cc1cccc(C)c1NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181410091 821811491 /nfs/dbraw/zinc/81/14/91/821811491.db2.gz RKHBASDHILKSTO-MSOLQXFVSA-N 1 0 379.504 4.108 20 0 GIADRO C[C@H](NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(F)cc1Br ZINC000181416112 821814187 /nfs/dbraw/zinc/81/41/87/821814187.db2.gz FGAYDOVUNPPUTF-BKTGTZMESA-N 1 0 399.348 4.007 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1)C(=O)Nc1ccccc1Cl ZINC000181417752 821815490 /nfs/dbraw/zinc/81/54/90/821815490.db2.gz OWYLBNCSLZFWJB-LSDHHAIUSA-N 1 0 385.895 4.145 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+]CC2(N3CCSCC3)CCCCC2)s1 ZINC000181417927 821815980 /nfs/dbraw/zinc/81/59/80/821815980.db2.gz DXJHWKQQCRPJEI-INIZCTEOSA-N 1 0 397.654 4.043 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+][C@H](C)c2cc(OC)c(OC)cc2F)s1 ZINC000181419355 821816789 /nfs/dbraw/zinc/81/67/89/821816789.db2.gz NZICBKZBYQNPRM-NEPJUHHUSA-N 1 0 382.501 4.209 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+]C[C@@H]2CCCN(C)[C@@H]2c2cccs2)s1 ZINC000181425558 821820129 /nfs/dbraw/zinc/82/01/29/821820129.db2.gz XOMMBZLRLXUYNY-QOKNQOGYSA-N 1 0 393.622 4.436 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+]C[C@H](O)c2cc3ccccc3s2)s1 ZINC000181434046 821825338 /nfs/dbraw/zinc/82/53/38/821825338.db2.gz PMCLLVOUYCBUIS-WFASDCNBSA-N 1 0 376.547 4.239 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+]Cc2ccccc2-n2nc(C)cc2C)s1 ZINC000181435201 821825915 /nfs/dbraw/zinc/82/59/15/821825915.db2.gz PXQQPSZWMCKYJB-MRXNPFEDSA-N 1 0 384.549 4.294 20 0 GIADRO CCc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181445854 821829472 /nfs/dbraw/zinc/82/94/72/821829472.db2.gz YUAUXZULNYXPST-SJORKVTESA-N 1 0 379.504 4.054 20 0 GIADRO Brc1cccc2c1OCCC[C@@H]2[NH2+][C@H]1CCO[C@]2(CCSC2)C1 ZINC000181446217 821829818 /nfs/dbraw/zinc/82/98/18/821829818.db2.gz VTEMUWPFQVRVCX-QANKJYHBSA-N 1 0 398.366 4.307 20 0 GIADRO Brc1ccc2c(c1)[C@H]([NH2+][C@H]1CCO[C@]3(CCSC3)C1)CCCO2 ZINC000181447242 821830116 /nfs/dbraw/zinc/83/01/16/821830116.db2.gz DNHSCXHYXAYSQQ-YXJHDRRASA-N 1 0 398.366 4.307 20 0 GIADRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(Br)cc2N2CCOCC2)cc1 ZINC000181458314 821834813 /nfs/dbraw/zinc/83/48/13/821834813.db2.gz DVHJYEDHIVEQKM-MRXNPFEDSA-N 1 0 389.337 4.445 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(Br)cc1N1CCOCC1)c1ccccc1F ZINC000181459238 821835527 /nfs/dbraw/zinc/83/55/27/821835527.db2.gz WVTXRJAIWLCBPD-CQSZACIVSA-N 1 0 393.300 4.276 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc2c1OCCCO2)c1ccc(OCc2nccn2C)cc1 ZINC000181460781 821836401 /nfs/dbraw/zinc/83/64/01/821836401.db2.gz BTFXELKSYCIAHE-QGZVFWFLSA-N 1 0 393.487 4.011 20 0 GIADRO C[C@@H](NC(=O)c1ccnc(OCc2ccccc2)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181460634 821836422 /nfs/dbraw/zinc/83/64/22/821836422.db2.gz BZDJSCOXMFJNBN-NQIIRXRSSA-N 1 0 393.531 4.043 20 0 GIADRO Cc1csc(C(C)(C)[NH2+]CCCCCCN2C(=O)c3ccccc3C2=O)n1 ZINC000181465141 821838715 /nfs/dbraw/zinc/83/87/15/821838715.db2.gz OXFNEVMMYJYLKA-UHFFFAOYSA-N 1 0 385.533 4.133 20 0 GIADRO C[C@H](NC(=O)CCOc1ccc(F)cc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181469140 821840331 /nfs/dbraw/zinc/84/03/31/821840331.db2.gz FAOCBDPLRCROFC-LSDHHAIUSA-N 1 0 382.907 4.017 20 0 GIADRO C[C@@H](NC(=O)CCOc1ccc(F)cc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181469155 821840477 /nfs/dbraw/zinc/84/04/77/821840477.db2.gz FAOCBDPLRCROFC-HUUCEWRRSA-N 1 0 382.907 4.017 20 0 GIADRO CC[C@H]([NH2+]Cc1cccnc1-n1ccnc1)c1cc(F)cc(Br)c1 ZINC000181475298 821842667 /nfs/dbraw/zinc/84/26/67/821842667.db2.gz USNJIUSSZMMLEF-KRWDZBQOSA-N 1 0 389.272 4.410 20 0 GIADRO C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@H+](C)CCc1ccncc1 ZINC000181475540 821842758 /nfs/dbraw/zinc/84/27/58/821842758.db2.gz GPSSHABNTLYUGD-LJQANCHMSA-N 1 0 389.499 4.162 20 0 GIADRO O=C(c1ccccc1Cl)N1CCC([NH2+]Cc2ccn(C3CCCC3)n2)CC1 ZINC000181479489 821844548 /nfs/dbraw/zinc/84/45/48/821844548.db2.gz CZLILLUFVPJQCV-UHFFFAOYSA-N 1 0 386.927 4.046 20 0 GIADRO C[N@@H+](Cc1coc(-c2ccc(Br)cc2)n1)C[C@H]1CCCC[C@@H]1O ZINC000181480313 821845035 /nfs/dbraw/zinc/84/50/35/821845035.db2.gz IMJZBANOIAEPRC-PBHICJAKSA-N 1 0 379.298 4.087 20 0 GIADRO C[C@@H](NC(=O)c1csc(-c2cccs2)n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181499669 821855678 /nfs/dbraw/zinc/85/56/78/821855678.db2.gz IYWZQMTYCQKVRK-KGLIPLIRSA-N 1 0 375.563 4.254 20 0 GIADRO c1ccc(OCCOc2ccc(C[NH2+]Cc3cccc4cnccc43)cn2)cc1 ZINC000181503903 821857196 /nfs/dbraw/zinc/85/71/96/821857196.db2.gz FZNNRGDNLLCANH-UHFFFAOYSA-N 1 0 385.467 4.377 20 0 GIADRO C[N@@H+]1CCCN(C(=O)Nc2ccccc2SC[C@@H]2CC2(Cl)Cl)CC1 ZINC000181505265 821857269 /nfs/dbraw/zinc/85/72/69/821857269.db2.gz YEAIMRSHEMVEDU-ZDUSSCGKSA-N 1 0 388.364 4.142 20 0 GIADRO COc1ccc2cccc(CC(=O)N[C@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)c2c1 ZINC000181505968 821857615 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C[C@@H]([NH2+]CCc1cc(Br)ccc1F)c1ccc(OCC#N)cc1 ZINC000181583409 821889248 /nfs/dbraw/zinc/88/92/48/821889248.db2.gz KMQOBDHFJQBRPR-CYBMUJFWSA-N 1 0 377.257 4.384 20 0 GIADRO C[C@H]([NH2+]C1CCN([C@@H](C)c2ccncc2)CC1)c1cccc(N2CCCC2=O)c1 ZINC000181590039 821892652 /nfs/dbraw/zinc/89/26/52/821892652.db2.gz LNRYBTSRDFAMPK-OALUTQOASA-N 1 0 392.547 4.085 20 0 GIADRO C[C@@H](NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ncc(Br)s1 ZINC000181591404 821893171 /nfs/dbraw/zinc/89/31/71/821893171.db2.gz YYMUWLVVSZLACR-OLZOCXBDSA-N 1 0 395.370 4.177 20 0 GIADRO CCC(CC)n1nc(C)cc1C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000181602419 821898591 /nfs/dbraw/zinc/89/85/91/821898591.db2.gz XZXBRBIFOYZYEC-UHFFFAOYSA-N 1 0 397.567 4.326 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)CCc1ccc2[nH]ccc2c1 ZINC000181602441 821898648 /nfs/dbraw/zinc/89/86/48/821898648.db2.gz VKMKPSRLNBSMGT-UHFFFAOYSA-N 1 0 390.531 4.261 20 0 GIADRO Cc1noc(C)c1[C@H](C)C[NH2+][C@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000181627106 821910615 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1 0 387.911 4.378 20 0 GIADRO COc1cccc2cc([C@H](C)[NH2+][C@@H](Cc3ccccc3)C(=O)N3CCCC3)oc21 ZINC000181638714 821918044 /nfs/dbraw/zinc/91/80/44/821918044.db2.gz HBPDVXLYPKGDKV-PXNSSMCTSA-N 1 0 392.499 4.326 20 0 GIADRO COc1cc([C@H](C)[NH2+]CC2([C@@H](O)c3ccccc3)CC2)ccc1OC(F)F ZINC000181645183 821920352 /nfs/dbraw/zinc/92/03/52/821920352.db2.gz WBFKXVMUHYRRAL-LIRRHRJNSA-N 1 0 377.431 4.461 20 0 GIADRO CC(C)[C@H](C)NC(=O)C1CC[NH+](CCCc2ccccc2Br)CC1 ZINC000181647990 821921644 /nfs/dbraw/zinc/92/16/44/821921644.db2.gz DWKDTVAERZUMGW-INIZCTEOSA-N 1 0 395.385 4.254 20 0 GIADRO CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H](C)c1ccccc1OC(F)F ZINC000181658953 821927602 /nfs/dbraw/zinc/92/76/02/821927602.db2.gz LTUZJVRRVFKRBG-HUUCEWRRSA-N 1 0 383.460 4.191 20 0 GIADRO C[C@@H](NC(=O)Cc1csc(Cc2ccccc2)n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181669530 821934853 /nfs/dbraw/zinc/93/48/53/821934853.db2.gz SXIIHACIDVOGQE-MJGOQNOKSA-N 1 0 397.588 4.046 20 0 GIADRO C[C@H](NC(=O)c1cccnc1SC(F)(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181670074 821935515 /nfs/dbraw/zinc/93/55/15/821935515.db2.gz AKHUSRSQJZROKV-QWHCGFSZSA-N 1 0 387.471 4.076 20 0 GIADRO COc1cccc2cc([C@@H](C)[NH2+]CCc3ccc(OC)c(OC)c3OC)oc21 ZINC000181674096 821937955 /nfs/dbraw/zinc/93/79/55/821937955.db2.gz JLUAGRSUIXARSM-CQSZACIVSA-N 1 0 385.460 4.361 20 0 GIADRO COC(=O)c1ccc(C[NH2+][C@@H](C)c2sc(-c3cccnc3)nc2C)cc1OC ZINC000181687541 821944176 /nfs/dbraw/zinc/94/41/76/821944176.db2.gz XFRJTFFNDWOHDN-ZDUSSCGKSA-N 1 0 397.500 4.160 20 0 GIADRO COc1ccccc1[C@@H](CC(C)C)[NH2+]CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000181712983 821956507 /nfs/dbraw/zinc/95/65/07/821956507.db2.gz USDNYOFIVRCLMW-DOTOQJQBSA-N 1 0 386.458 4.173 20 0 GIADRO C[C@H](CCCc1ccccc1)C(=O)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC000181727002 821963047 /nfs/dbraw/zinc/96/30/47/821963047.db2.gz HJBONNAAXUINDS-LJQANCHMSA-N 1 0 380.532 4.241 20 0 GIADRO C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1ccc(OCC#N)cc1 ZINC000181729924 821965178 /nfs/dbraw/zinc/96/51/78/821965178.db2.gz BYCAFSTVYFJNEU-DVECYGJZSA-N 1 0 399.494 4.490 20 0 GIADRO CC[C@@H]([NH2+][C@H](C)c1ccc(C(F)(F)F)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000181735651 821968197 /nfs/dbraw/zinc/96/81/97/821968197.db2.gz QFTKXRJGXSXQKN-SJKOYZFVSA-N 1 0 386.439 4.155 20 0 GIADRO COc1cc(OC)c([C@H](C)[NH2+][C@@H](C)c2ccc(-n3ccnn3)cc2)cc1Cl ZINC000181744824 821973385 /nfs/dbraw/zinc/97/33/85/821973385.db2.gz GGKSNJRROFCPJE-KBPBESRZSA-N 1 0 386.883 4.350 20 0 GIADRO CC[C@@H]([NH2+][C@H](C)c1ccc(Cl)c(Cl)c1)c1cccc(S(N)(=O)=O)c1 ZINC000181750848 821976678 /nfs/dbraw/zinc/97/66/78/821976678.db2.gz BAAKPYSNKDMNKH-PIGZYNQJSA-N 1 0 387.332 4.443 20 0 GIADRO Fc1cccc(F)c1-n1ccc(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)n1 ZINC000181765520 821983188 /nfs/dbraw/zinc/98/31/88/821983188.db2.gz OVXCUTXRXGPDNU-IERDGZPVSA-N 1 0 383.442 4.408 20 0 GIADRO CC[C@H](NC1CC[NH+](C[C@H]2CCOC2)CC1)c1cc(F)cc(Br)c1 ZINC000181774904 821987802 /nfs/dbraw/zinc/98/78/02/821987802.db2.gz DELJBHWYZMARAX-KUHUBIRLSA-N 1 0 399.348 4.130 20 0 GIADRO COc1ccc(OC)c(CCC[NH2+][C@@H](C)c2ncc(Br)s2)c1 ZINC000181779884 821989439 /nfs/dbraw/zinc/98/94/39/821989439.db2.gz FXNYCUSOANBYOO-NSHDSACASA-N 1 0 385.327 4.206 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1c1ccccc1)c1ccc(OCc2nccn2C)cc1 ZINC000181786662 821991951 /nfs/dbraw/zinc/99/19/51/821991951.db2.gz GKALUCQMKFOSIL-KUWBRRTOSA-N 1 0 390.531 4.095 20 0 GIADRO C[C@@H]([NH2+]Cc1csc(-c2ccc(C(N)=O)cc2)n1)C(C)(C)c1ccccc1 ZINC000181802640 821998601 /nfs/dbraw/zinc/99/86/01/821998601.db2.gz ZCLPLGHRLUKHHC-OAHLLOKOSA-N 1 0 379.529 4.365 20 0 GIADRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(N2CCCC2)cc1)c1ccc(OC)cc1 ZINC000181806013 822000533 /nfs/dbraw/zinc/00/05/33/822000533.db2.gz MCDJGGUIZYXQFJ-HTAPYJJXSA-N 1 0 381.520 4.363 20 0 GIADRO CC[NH+](CC)CCCCNC(=O)c1sc(-c2ccc(F)c(F)c2)nc1C ZINC000181807273 822000662 /nfs/dbraw/zinc/00/06/62/822000662.db2.gz GMBHQYKTOSYHLE-UHFFFAOYSA-N 1 0 381.492 4.249 20 0 GIADRO CC[C@@H]([NH2+][C@H](C)C(=O)N(C)Cc1nc2ccccc2s1)c1ccc(OC)cc1 ZINC000181811505 822002706 /nfs/dbraw/zinc/00/27/06/822002706.db2.gz JDJIJJMLMRWAAE-CRAIPNDOSA-N 1 0 397.544 4.393 20 0 GIADRO C[C@@H](C[NH2+][C@@H](C)c1ccc2c(c1)OCCCO2)c1nc(-c2ccccc2)no1 ZINC000181846860 822015985 /nfs/dbraw/zinc/01/59/85/822015985.db2.gz DWZCZWWYYTVIKZ-HOTGVXAUSA-N 1 0 379.460 4.352 20 0 GIADRO C[C@@H](C[NH2+][C@@H](C)c1ccc(OCC#N)cc1)Oc1ccccc1Br ZINC000181858092 822018438 /nfs/dbraw/zinc/01/84/38/822018438.db2.gz AXFTUVBCKIAHQA-GJZGRUSLSA-N 1 0 389.293 4.470 20 0 GIADRO C[C@@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1cc2cc(Cl)ccc2o1 ZINC000181859431 822018905 /nfs/dbraw/zinc/01/89/05/822018905.db2.gz IZTBKXOVTOVKPX-CYBMUJFWSA-N 1 0 377.893 4.482 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N[C@H](c1ccccc1)C1CC1)c1cccc(N2CCCC2)c1 ZINC000181868110 822021345 /nfs/dbraw/zinc/02/13/45/822021345.db2.gz GIVGAEWDNYUTMI-HOYKHHGWSA-N 1 0 377.532 4.205 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1OC(F)F)c1cccc(N2CCCC2)c1 ZINC000181869006 822021382 /nfs/dbraw/zinc/02/13/82/822021382.db2.gz HFBZUPRQNAXPHT-OAHLLOKOSA-N 1 0 389.446 4.178 20 0 GIADRO CC(C)OCCCCNC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000181869049 822021634 /nfs/dbraw/zinc/02/16/34/822021634.db2.gz HKXYKIDRVXINPJ-IBGZPJMESA-N 1 0 375.557 4.065 20 0 GIADRO Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)N(CC[NH+](C)C)C(C)C ZINC000181876942 822023991 /nfs/dbraw/zinc/02/39/91/822023991.db2.gz LEKYEGOJZYXCBZ-UHFFFAOYSA-N 1 0 385.556 4.282 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)c1ccccc1Br)c1cccc(N2CCCC2)c1 ZINC000181877897 822024116 /nfs/dbraw/zinc/02/41/16/822024116.db2.gz MTIXRLLZFCVZJA-YWZLYKJASA-N 1 0 389.337 4.434 20 0 GIADRO Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)NCC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000181877612 822024176 /nfs/dbraw/zinc/02/41/76/822024176.db2.gz AYLVTLZWLSTEKK-FCEUIQTBSA-N 1 0 387.568 4.026 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1cccc2c1N=S=N2)c1cccc(N2CCCC2)c1 ZINC000181881771 822025201 /nfs/dbraw/zinc/02/52/01/822025201.db2.gz IWKBDBBSRVTLTD-AWEZNQCLSA-N 1 0 381.505 4.303 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)N[C@@H](C)Cc2ccccc2C(F)(F)F)CC1 ZINC000181888653 822027270 /nfs/dbraw/zinc/02/72/70/822027270.db2.gz PBGLTVCYUBDBSX-HNNXBMFYSA-N 1 0 385.474 4.152 20 0 GIADRO CC(=O)c1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(N2CCCC2)c1 ZINC000181892322 822028575 /nfs/dbraw/zinc/02/85/75/822028575.db2.gz RUMXHHHGMVQNLX-DLBZAZTESA-N 1 0 379.504 4.167 20 0 GIADRO CC(C)N(CC[NH+](C)C)C(=O)Nc1ccc2nc(Cc3ccccc3)oc2c1 ZINC000181897572 822030360 /nfs/dbraw/zinc/03/03/60/822030360.db2.gz QPZGWZCWGWPMSU-UHFFFAOYSA-N 1 0 380.492 4.223 20 0 GIADRO CC[C@@H](C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1)c1ccc(OC)cc1 ZINC000181929884 822038710 /nfs/dbraw/zinc/03/87/10/822038710.db2.gz CVTVEMIJZKQFTB-HSZRJFAPSA-N 1 0 395.547 4.358 20 0 GIADRO C[NH+]1CCC(Nc2ccccc2NC(=O)c2ccc(F)c(Cl)c2F)CC1 ZINC000181940350 822040998 /nfs/dbraw/zinc/04/09/98/822040998.db2.gz LQLLTUIFMZJZJN-UHFFFAOYSA-N 1 0 379.838 4.377 20 0 GIADRO CC(C)[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)c1ccc(F)c(F)c1 ZINC000181950484 822043216 /nfs/dbraw/zinc/04/32/16/822043216.db2.gz RDQMDJLYWZHRQR-ZMPRRUGASA-N 1 0 389.490 4.460 20 0 GIADRO CCOc1cccc2cc([C@@H](C)[NH2+]CCNC(=O)c3c(F)cccc3F)oc21 ZINC000181952192 822043771 /nfs/dbraw/zinc/04/37/71/822043771.db2.gz ZRCYPGVISYYUQY-CYBMUJFWSA-N 1 0 388.414 4.190 20 0 GIADRO CC(C)[C@@H]([NH2+]CCCS(=O)(=O)Cc1ccccc1)c1ccc(F)c(F)c1 ZINC000181973488 822049406 /nfs/dbraw/zinc/04/94/06/822049406.db2.gz ZAOLCQMDJASMGK-HXUWFJFHSA-N 1 0 381.488 4.257 20 0 GIADRO Cc1cccc(Oc2ccc(NC(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)cn2)c1C ZINC000181979742 822051655 /nfs/dbraw/zinc/05/16/55/822051655.db2.gz YOEOCYWXWYFCCV-IBGZPJMESA-N 1 0 394.519 4.440 20 0 GIADRO Cc1ccnc(Oc2cc(NC(=O)N3CC[C@H](C[NH+]4CCCC4)C3)ccc2C)c1 ZINC000181988993 822055153 /nfs/dbraw/zinc/05/51/53/822055153.db2.gz WTABITNARUSEHP-LJQANCHMSA-N 1 0 394.519 4.440 20 0 GIADRO COc1ccc(C2(C[NH2+][C@H](C)c3ccc(NC(C)=O)cc3)CCOCC2)cc1 ZINC000181994032 822056755 /nfs/dbraw/zinc/05/67/55/822056755.db2.gz RMYQZKDBIOCVQO-QGZVFWFLSA-N 1 0 382.504 4.053 20 0 GIADRO CCOC(=O)c1oc2ccccc2c1C[NH2+][C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000182008703 822060396 /nfs/dbraw/zinc/06/03/96/822060396.db2.gz NZPAFIDIEZPSNU-OAHLLOKOSA-N 1 0 390.443 4.041 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1ccc(OCC2CCOCC2)cc1 ZINC000182017392 822064223 /nfs/dbraw/zinc/06/42/23/822064223.db2.gz AKHBIIDEDBKGDD-DVECYGJZSA-N 1 0 395.547 4.210 20 0 GIADRO CC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccc(NC(=O)c3cccnc3)cc2)cc1 ZINC000182037868 822070062 /nfs/dbraw/zinc/07/00/62/822070062.db2.gz KBPLRWWMXONNQT-MRXNPFEDSA-N 1 0 388.471 4.143 20 0 GIADRO COc1ccc(C[NH2+]CCCc2c(C)nn(C)c2C)cc1OCc1ccccc1 ZINC000182047235 822072617 /nfs/dbraw/zinc/07/26/17/822072617.db2.gz DXESWLFXAWZDSQ-UHFFFAOYSA-N 1 0 393.531 4.347 20 0 GIADRO CC(C)c1ccc(C2(O)CCC([NH2+]Cc3ccc(-n4cncn4)cc3)CC2)cc1 ZINC000182062966 822078594 /nfs/dbraw/zinc/07/85/94/822078594.db2.gz MQBIOUWOWIPDQJ-UHFFFAOYSA-N 1 0 390.531 4.311 20 0 GIADRO CC(=O)Nc1ccc([C@@H](C)[NH2+]CC2(N3CCSCC3)CCCCC2)cc1 ZINC000182077610 822083780 /nfs/dbraw/zinc/08/37/80/822083780.db2.gz KJAGQURDGOUDJB-QGZVFWFLSA-N 1 0 375.582 4.047 20 0 GIADRO CC(=O)Nc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3ccccc3OC(F)F)C2)cc1 ZINC000182085253 822087241 /nfs/dbraw/zinc/08/72/41/822087241.db2.gz DYFKNUSRGQVATF-RDTXWAMCSA-N 1 0 389.446 4.176 20 0 GIADRO CC(C)Sc1ccc([C@H](C)[NH2+]CCOc2cccc(S(C)(=O)=O)c2)cc1 ZINC000182107125 822096358 /nfs/dbraw/zinc/09/63/58/822096358.db2.gz IZUUDJVVXTXYRX-INIZCTEOSA-N 1 0 393.574 4.320 20 0 GIADRO COc1ccc([C@H](C)[NH2+]Cc2ccc(OC(C)=O)cc2)cc1Br ZINC000182112906 822099071 /nfs/dbraw/zinc/09/90/71/822099071.db2.gz GVZDVHUYRHLGDE-LBPRGKRZSA-N 1 0 378.266 4.234 20 0 GIADRO CC[NH+](CC)Cc1cc([C@H](C)Nc2cnn(Cc3ccncc3)c2)ccc1OC ZINC000182126405 822106188 /nfs/dbraw/zinc/10/61/88/822106188.db2.gz BCJFVZGKPLFQAG-SFHVURJKSA-N 1 0 393.535 4.350 20 0 GIADRO CCCC[C@H]([NH2+]CC(=O)N1CCC[C@H](C(F)(F)F)C1)c1ccc(OC)cc1 ZINC000182152461 822119506 /nfs/dbraw/zinc/11/95/06/822119506.db2.gz AOWQICNTOCDJFC-WMZOPIPTSA-N 1 0 386.458 4.317 20 0 GIADRO CCCC[C@H]([NH2+]CC(=O)N1CCC[C@@H](C(F)(F)F)C1)c1ccc(OC)cc1 ZINC000182152503 822119721 /nfs/dbraw/zinc/11/97/21/822119721.db2.gz AOWQICNTOCDJFC-AEFFLSMTSA-N 1 0 386.458 4.317 20 0 GIADRO O=C1Nc2ccccc2C12CCC([NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)CC2 ZINC000182156976 822122600 /nfs/dbraw/zinc/12/26/00/822122600.db2.gz LFSRXUQGZZKQEI-NYORXNMPSA-N 1 0 398.453 4.217 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cnn(CCC(F)(F)F)c3)cc2)C1 ZINC000182161243 822124478 /nfs/dbraw/zinc/12/44/78/822124478.db2.gz NQHUGFURVWXICH-HNNXBMFYSA-N 1 0 394.441 4.320 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1cccc(N2CCOC2=O)c1 ZINC000182163439 822125490 /nfs/dbraw/zinc/12/54/90/822125490.db2.gz JCIIAGNUCPGFKD-CAYVGHNUSA-N 1 0 388.414 4.102 20 0 GIADRO COc1cccc([C@@H]2[C@@H]([NH2+][C@@H](C)c3ccc(NC(C)=O)cc3)CCN2C2CC2)c1 ZINC000182223202 822154861 /nfs/dbraw/zinc/15/48/61/822154861.db2.gz ONSGDHVEDQNCSN-VVMYJBMMSA-N 1 0 393.531 4.282 20 0 GIADRO Cc1nc(-c2cccc(NC(=O)C[NH2+][C@@H](C)c3ccc4c(c3)OCO4)c2)cs1 ZINC000182259813 822173894 /nfs/dbraw/zinc/17/38/94/822173894.db2.gz FOSSKKQBVCNMPZ-ZDUSSCGKSA-N 1 0 395.484 4.137 20 0 GIADRO CC1(C)[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3)CC2)C[C@@H]1OCc1ccccc1 ZINC000182263944 822176928 /nfs/dbraw/zinc/17/69/28/822176928.db2.gz PEFWGBXCEMXLPJ-GOTSBHOMSA-N 1 0 392.543 4.265 20 0 GIADRO C[C@H]([NH2+]C1(c2cccc(Br)c2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000182272750 822181813 /nfs/dbraw/zinc/18/18/13/822181813.db2.gz GSZGBYIKRXDLQR-ZDUSSCGKSA-N 1 0 394.334 4.193 20 0 GIADRO Cc1ccccc1-n1nccc1NC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000182300799 822193044 /nfs/dbraw/zinc/19/30/44/822193044.db2.gz JTFVMUPSUJRXQG-FQEVSTJZSA-N 1 0 395.551 4.157 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(SC(F)F)cc1)c1ccc2c(c1)OCO2 ZINC000182305778 822195794 /nfs/dbraw/zinc/19/57/94/822195794.db2.gz GWSKRPQVGKAWBI-LLVKDONJSA-N 1 0 380.416 4.019 20 0 GIADRO CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCc3c2cccc3Br)cc1 ZINC000182337392 822206956 /nfs/dbraw/zinc/20/69/56/822206956.db2.gz GYJRSMULTORBIE-GOSISDBHSA-N 1 0 394.334 4.020 20 0 GIADRO C[C@H](SCc1ccccc1)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000182352763 822211538 /nfs/dbraw/zinc/21/15/38/822211538.db2.gz PJWPPSIPNIVMFA-SFHVURJKSA-N 1 0 397.588 4.477 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2)CC1 ZINC000182361052 822215404 /nfs/dbraw/zinc/21/54/04/822215404.db2.gz KYGYKYYQGOGSRN-UHFFFAOYSA-N 1 0 391.437 4.488 20 0 GIADRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)c1 ZINC000182372117 822219006 /nfs/dbraw/zinc/21/90/06/822219006.db2.gz NPLVYDXJDSPGFR-LBPRGKRZSA-N 1 0 397.302 4.017 20 0 GIADRO COc1cccc2[nH]cc(CC(=O)N3CCC(CC[N@@H+]4CCCC[C@H]4C)CC3)c21 ZINC000182463325 822252732 /nfs/dbraw/zinc/25/27/32/822252732.db2.gz OJPRTCFVQKWINH-GOSISDBHSA-N 1 0 397.563 4.222 20 0 GIADRO COc1cc([C@@H](C)[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)ccc1SC ZINC000177970281 822262917 /nfs/dbraw/zinc/26/29/17/822262917.db2.gz RMCMCWIIFCCJAB-CYBMUJFWSA-N 1 0 399.965 4.195 20 0 GIADRO COc1ccc(OC)c([C@H](C)[NH2+]CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000177975085 822265106 /nfs/dbraw/zinc/26/51/06/822265106.db2.gz HDFMYCKKHCFQLZ-JKSUJKDBSA-N 1 0 378.513 4.002 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)c(OC)c1 ZINC000177977334 822266815 /nfs/dbraw/zinc/26/68/15/822266815.db2.gz WTNPVGJWZRKKFK-CVEARBPZSA-N 1 0 378.513 4.002 20 0 GIADRO C[C@@H]([NH2+]CCCOc1cccc2ccccc21)c1ccc(S(C)(=O)=O)cc1 ZINC000177981222 822268676 /nfs/dbraw/zinc/26/86/76/822268676.db2.gz QMAVWPHVERVMGS-QGZVFWFLSA-N 1 0 383.513 4.363 20 0 GIADRO CC(=O)c1ccc(NC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1Cl ZINC000182499256 822269807 /nfs/dbraw/zinc/26/98/07/822269807.db2.gz UVVPHGBOUHYCLI-UKRRQHHQSA-N 1 0 377.916 4.317 20 0 GIADRO CCOc1cc(Cl)ccc1C(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000182514808 822277618 /nfs/dbraw/zinc/27/76/18/822277618.db2.gz XIUYSDCMFNOTOR-UHFFFAOYSA-N 1 0 376.884 4.068 20 0 GIADRO Cc1cc(NC(=O)C[NH2+][C@H](C)c2ccc(OC(F)(F)F)cc2)n(C(C)(C)C)n1 ZINC000182518890 822279530 /nfs/dbraw/zinc/27/95/30/822279530.db2.gz GBUDDZUDDCJGGK-CYBMUJFWSA-N 1 0 398.429 4.134 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+]CCc2ccc(F)c(Br)c2)c1 ZINC000178008839 822280051 /nfs/dbraw/zinc/28/00/51/822280051.db2.gz XMRHHTHVNFYLIA-LBPRGKRZSA-N 1 0 379.273 4.440 20 0 GIADRO Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC000178021581 822286434 /nfs/dbraw/zinc/28/64/34/822286434.db2.gz ZZUIURJDVJSIBB-GOSISDBHSA-N 1 0 394.991 4.285 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CC(=O)N[C@H](C)c2ccc3ccccc3c2)c1 ZINC000182534687 822287806 /nfs/dbraw/zinc/28/78/06/822287806.db2.gz UXVPVTLLXDXEME-IAGOWNOFSA-N 1 0 389.499 4.326 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2c(C)c(C(C)(C)C)nn2-c2ccccc2)C1 ZINC000178036517 822292655 /nfs/dbraw/zinc/29/26/55/822292655.db2.gz GWPQYTLXYCHHSV-SFHVURJKSA-N 1 0 397.567 4.284 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cc(C)ccc2SCC(F)(F)F)C1 ZINC000178038315 822294131 /nfs/dbraw/zinc/29/41/31/822294131.db2.gz MLDYZDKJMCTVSF-CQSZACIVSA-N 1 0 389.487 4.455 20 0 GIADRO Cc1nn(C(C)(C)C)cc1C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000182552005 822298476 /nfs/dbraw/zinc/29/84/76/822298476.db2.gz YGPQGKJMBJUTSS-UHFFFAOYSA-N 1 0 384.524 4.064 20 0 GIADRO CC(C)[NH+]1CCC(C(=O)N2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000178046562 822298593 /nfs/dbraw/zinc/29/85/93/822298593.db2.gz PJQQDGYFCRNTEE-INIZCTEOSA-N 1 0 385.335 4.094 20 0 GIADRO CCc1ccc(Cl)c(CC)c1NC(=O)CCC[N@@H+]1CC[C@](C)(C(=O)OC)C1 ZINC000178062107 822305821 /nfs/dbraw/zinc/30/58/21/822305821.db2.gz KDFPULWPZDMZMC-NRFANRHFSA-N 1 0 394.943 4.069 20 0 GIADRO CC(C)(O)C[NH2+][C@@H]1CCCc2nc(-c3ccccc3Br)sc21 ZINC000178069432 822308362 /nfs/dbraw/zinc/30/83/62/822308362.db2.gz XQWSYSCXHVLDMA-CYBMUJFWSA-N 1 0 381.339 4.311 20 0 GIADRO C[N@H+](Cc1cc(=O)n2nccc2[nH]1)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000178068291 822308430 /nfs/dbraw/zinc/30/84/30/822308430.db2.gz HCLQTSOJPXYEJT-NRFANRHFSA-N 1 0 396.853 4.037 20 0 GIADRO CCCOc1ccc([C@H](C)[NH2+]Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)cc1 ZINC000178086071 822313409 /nfs/dbraw/zinc/31/34/09/822313409.db2.gz UUKFEEHASSVHBJ-OTWHNJEPSA-N 1 0 383.536 4.335 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)c1ccc2ccccc2n1 ZINC000178085847 822313780 /nfs/dbraw/zinc/31/37/80/822313780.db2.gz UATREEKXQXOVAA-KSZLIROESA-N 1 0 376.504 4.094 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+][C@@H]2CCc3cc(Cl)ccc32)cc1 ZINC000178085995 822313817 /nfs/dbraw/zinc/31/38/17/822313817.db2.gz BISAEKSUUUUIST-BFUOFWGJSA-N 1 0 378.925 4.440 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21)C(=O)NC(C)(C)C ZINC000178097639 822317962 /nfs/dbraw/zinc/31/79/62/822317962.db2.gz PSOBDLQWBKWLBW-SWLSCSKDSA-N 1 0 375.513 4.219 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+][C@@H](C)C(=O)NC1CCCC1 ZINC000178098320 822318573 /nfs/dbraw/zinc/31/85/73/822318573.db2.gz BPRBEJCWBJVWSK-JSGCOSHPSA-N 1 0 375.513 4.356 20 0 GIADRO COc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)cc1NC(C)=O ZINC000178102900 822320536 /nfs/dbraw/zinc/32/05/36/822320536.db2.gz FECLZROBODDANY-HNNXBMFYSA-N 1 0 398.503 4.460 20 0 GIADRO COCCC[C@H](C)[NH2+][C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000178109315 822322984 /nfs/dbraw/zinc/32/29/84/822322984.db2.gz NYVKDWSYKBKOEV-MGPUTAFESA-N 1 0 395.952 4.238 20 0 GIADRO C[C@@H](NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cc2ccccc2o1)c1ccc2c(c1)OCCO2 ZINC000182629101 822329891 /nfs/dbraw/zinc/32/98/91/822329891.db2.gz VONZYKALJOZLRR-OWCLPIDISA-N 1 0 394.471 4.121 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)NCc2ccn(C3CCCC3)n2)CC1 ZINC000182633362 822332254 /nfs/dbraw/zinc/33/22/54/822332254.db2.gz SQSIMHLDZOFFEQ-UHFFFAOYSA-N 1 0 389.588 4.042 20 0 GIADRO COCCOc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(-n3cccn3)cc2)cc1OC ZINC000178150197 822334064 /nfs/dbraw/zinc/33/40/64/822334064.db2.gz PFAXIIGNVJRSCY-ROUUACIJSA-N 1 0 395.503 4.318 20 0 GIADRO COCCOc1ccc([C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2OC)cc1OC ZINC000178150180 822334128 /nfs/dbraw/zinc/33/41/28/822334128.db2.gz PNZUNSYVVUGHJZ-HUUCEWRRSA-N 1 0 377.456 4.280 20 0 GIADRO CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1Cl)Cc1ccc(CO)cc1 ZINC000182639183 822334265 /nfs/dbraw/zinc/33/42/65/822334265.db2.gz RBYSUJIEZWKTAG-UHFFFAOYSA-N 1 0 381.303 4.336 20 0 GIADRO Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000182644494 822336583 /nfs/dbraw/zinc/33/65/83/822336583.db2.gz XBAALAGMAGQMNK-ROUUACIJSA-N 1 0 377.577 4.020 20 0 GIADRO CC(C)(C)c1ccc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCCC3)cc2)s1 ZINC000178160126 822336922 /nfs/dbraw/zinc/33/69/22/822336922.db2.gz VDSFHWFEXVYRRJ-UHFFFAOYSA-N 1 0 392.590 4.120 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1ccccc1Br)c1cccc(OC(F)F)c1 ZINC000178167907 822339021 /nfs/dbraw/zinc/33/90/21/822339021.db2.gz BQLUYEYHBULCEK-NSHDSACASA-N 1 0 399.235 4.340 20 0 GIADRO Cc1ccc(C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)cc1F ZINC000178170363 822340291 /nfs/dbraw/zinc/34/02/91/822340291.db2.gz QJHMLYQAHQMXDN-UHFFFAOYSA-N 1 0 393.300 4.023 20 0 GIADRO C[C@@H](NC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ncc(-c2ccccc2)o1 ZINC000182656614 822340872 /nfs/dbraw/zinc/34/08/72/822340872.db2.gz YLQKAGABDGQNBK-ZHALLVOQSA-N 1 0 396.535 4.355 20 0 GIADRO CC(C)c1nc(-c2ccccc2NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)n[nH]1 ZINC000178175262 822341883 /nfs/dbraw/zinc/34/18/83/822341883.db2.gz OXFAAMRWWZEIHE-MRXNPFEDSA-N 1 0 381.524 4.188 20 0 GIADRO Cc1ccc(Br)c(C(=O)NC2CC[NH+](CC3CCCC3)CC2)c1 ZINC000178175611 822342896 /nfs/dbraw/zinc/34/28/96/822342896.db2.gz YVRLVMMRQJRNQI-UHFFFAOYSA-N 1 0 379.342 4.142 20 0 GIADRO C[C@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1ccc(SCC(F)(F)F)cc1 ZINC000178190482 822347766 /nfs/dbraw/zinc/34/77/66/822347766.db2.gz MFEIFQDHGXVYIT-HOCLYGCPSA-N 1 0 396.482 4.451 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1ccc(SCC(F)F)cc1 ZINC000178190407 822347873 /nfs/dbraw/zinc/34/78/73/822347873.db2.gz LURBIVYCVBDBOX-GDBMZVCRSA-N 1 0 378.492 4.153 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1F)c1ccc(Br)s1 ZINC000178201287 822350897 /nfs/dbraw/zinc/35/08/97/822350897.db2.gz ATVMKJFJIJLXMY-ZETCQYMHSA-N 1 0 393.228 4.217 20 0 GIADRO O=C(C[NH2+][C@@H]1CC2(CCCC2)Oc2ccccc21)Nc1ccc(F)c(F)c1F ZINC000178203704 822351411 /nfs/dbraw/zinc/35/14/11/822351411.db2.gz DMHSZISWKZWXQC-MRXNPFEDSA-N 1 0 390.405 4.469 20 0 GIADRO COc1cc2c(cc1OC)C[N@H+](Cc1ccccc1NCc1cc[nH]c1)CC2 ZINC000178204535 822351862 /nfs/dbraw/zinc/35/18/62/822351862.db2.gz ZDAXRIQHQMDNKP-UHFFFAOYSA-N 1 0 377.488 4.202 20 0 GIADRO CC(C)Sc1ccc([C@H](C)NC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC000182693038 822353140 /nfs/dbraw/zinc/35/31/40/822353140.db2.gz WRUHNZHLGLTKDD-QRFRQXIXSA-N 1 0 375.582 4.374 20 0 GIADRO COCc1cccc(CNc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)c1 ZINC000178211686 822353703 /nfs/dbraw/zinc/35/37/03/822353703.db2.gz VLGSMCBEHCYCIU-UHFFFAOYSA-N 1 0 381.520 4.260 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)C[NH2+][C@H](C)C2CCCCC2)c(C(F)(F)F)c1 ZINC000182698684 822354161 /nfs/dbraw/zinc/35/41/61/822354161.db2.gz NUWRLLHKRWVHIL-GFCCVEGCSA-N 1 0 385.430 4.161 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@H](C)c2cn(C)nc2C)ccc1OCc1ccncc1 ZINC000178214131 822354263 /nfs/dbraw/zinc/35/42/63/822354263.db2.gz BDZIFKBXPUUVPW-JKSUJKDBSA-N 1 0 380.492 4.123 20 0 GIADRO Cc1[nH]c2c(cccc2C(=O)N2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1C ZINC000178232720 822356968 /nfs/dbraw/zinc/35/69/68/822356968.db2.gz HKSIJBLUVVKOAW-CALCHBBNSA-N 1 0 397.563 4.136 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000178233398 822357063 /nfs/dbraw/zinc/35/70/63/822357063.db2.gz KQCIYCCGTOPZMC-MRXNPFEDSA-N 1 0 393.560 4.224 20 0 GIADRO Cc1ccc(CCCC(=O)N2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000178234148 822357115 /nfs/dbraw/zinc/35/71/15/822357115.db2.gz YVYAPSGMUTXXEC-OYRHEFFESA-N 1 0 386.580 4.056 20 0 GIADRO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)CC/C=C/c3ccccc3)CC2)C[C@H](C)O1 ZINC000178244584 822357970 /nfs/dbraw/zinc/35/79/70/822357970.db2.gz QGQHFXVDSOAAHY-YHWHNIOJSA-N 1 0 384.564 4.218 20 0 GIADRO C[C@H]1C[NH+](CCC2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)C[C@H](C)O1 ZINC000178244967 822357990 /nfs/dbraw/zinc/35/79/90/822357990.db2.gz CTUZTBJPLUIZID-HOTGVXAUSA-N 1 0 398.469 4.057 20 0 GIADRO C[C@@H]1C[NH+](CCC2CCN(C(=O)CC/C=C/c3ccccc3)CC2)C[C@@H](C)O1 ZINC000178244602 822358026 /nfs/dbraw/zinc/35/80/26/822358026.db2.gz QGQHFXVDSOAAHY-KGHJMRRFSA-N 1 0 384.564 4.218 20 0 GIADRO C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]CC(C)(C)C1=CCCC1 ZINC000453406804 822358700 /nfs/dbraw/zinc/35/87/00/822358700.db2.gz UHXJPKKVMCJAEW-INIZCTEOSA-N 1 0 383.536 4.478 20 0 GIADRO Brc1cccc2c1OCCC[C@H]2NC1CC[NH+](CC2CC2)CC1 ZINC000178254992 822359125 /nfs/dbraw/zinc/35/91/25/822359125.db2.gz YBRMCEVITCVICK-GOSISDBHSA-N 1 0 379.342 4.127 20 0 GIADRO Cn1ccnc1[C@@H]1C[C@H]([NH2+][C@H](Cc2cccc(F)c2)c2cccc(F)c2)CCO1 ZINC000453414413 822359544 /nfs/dbraw/zinc/35/95/44/822359544.db2.gz YVAIVFQZOQIGOJ-VSKRKVRLSA-N 1 0 397.469 4.492 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)cc1OCC ZINC000178256319 822359669 /nfs/dbraw/zinc/35/96/69/822359669.db2.gz CNGZZGGNCMFKCN-IRXDYDNUSA-N 1 0 380.492 4.477 20 0 GIADRO O=C1[C@H]([NH2+][C@@H]2CCCc3nc(-c4ccccc4F)sc32)C[C@H]2CCCCN12 ZINC000453414620 822359774 /nfs/dbraw/zinc/35/97/74/822359774.db2.gz BJTYXQNAQUVBSE-MZMPZRCHSA-N 1 0 385.508 4.070 20 0 GIADRO C[C@]1(C[NH2+][C@H](c2ccc(F)cc2)c2ccc(C(F)(F)F)cc2)CCC(=O)N1 ZINC000453420400 822360305 /nfs/dbraw/zinc/36/03/05/822360305.db2.gz LNQFANMBEFAHOW-RBUKOAKNSA-N 1 0 380.385 4.192 20 0 GIADRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccnc1C)c1cc(F)cc(Br)c1 ZINC000453423344 822360782 /nfs/dbraw/zinc/36/07/82/822360782.db2.gz FXTXUELDEFNTMV-BLLLJJGKSA-N 1 0 394.288 4.360 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccnc1C)c1cccc(Br)c1 ZINC000453423376 822360825 /nfs/dbraw/zinc/36/08/25/822360825.db2.gz GBLNTBOLORKZAW-BBRMVZONSA-N 1 0 376.298 4.220 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccnc1C)c1cc(F)cc(Br)c1 ZINC000453423350 822360886 /nfs/dbraw/zinc/36/08/86/822360886.db2.gz FXTXUELDEFNTMV-LRDDRELGSA-N 1 0 394.288 4.360 20 0 GIADRO Cc1ncccc1NC(=O)[C@H](C)[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000453424357 822360986 /nfs/dbraw/zinc/36/09/86/822360986.db2.gz GJKODTKXFWREEZ-KTAKPFMOSA-N 1 0 388.309 4.015 20 0 GIADRO Cc1cc(Cl)c2c(c1)[C@H]([NH2+]Cc1ccc(Cn3cncn3)cc1)CCCO2 ZINC000178272657 822361650 /nfs/dbraw/zinc/36/16/50/822361650.db2.gz QPJNVVRCVZPJIL-HXUWFJFHSA-N 1 0 382.895 4.292 20 0 GIADRO Cc1ccc([C@@H](CCn2cncn2)[NH2+][C@@H]2CCO[C@@H](c3cccs3)C2)cc1 ZINC000453432382 822362222 /nfs/dbraw/zinc/36/22/22/822362222.db2.gz RTYHXYHQKIMTOU-VAMGGRTRSA-N 1 0 382.533 4.289 20 0 GIADRO CC1(C)C[C@H](C[NH2+][C@@H](c2ccc(Br)cc2)c2cncnc2)CCO1 ZINC000453444237 822364072 /nfs/dbraw/zinc/36/40/72/822364072.db2.gz XUIQKEWXHODMQM-KDOFPFPSSA-N 1 0 390.325 4.123 20 0 GIADRO C[C@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1ccc(SCC(F)F)cc1 ZINC000178296944 822364537 /nfs/dbraw/zinc/36/45/37/822364537.db2.gz XDHXAJHIIFPEOR-AWEZNQCLSA-N 1 0 399.528 4.439 20 0 GIADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](Cc2ccccc2)c2ccccc2)cc1 ZINC000178297669 822364682 /nfs/dbraw/zinc/36/46/82/822364682.db2.gz FBLOQGKVMAPURN-JPYJTQIMSA-N 1 0 394.540 4.229 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)NCc1nc2ccccc2s1 ZINC000045132709 822364920 /nfs/dbraw/zinc/36/49/20/822364920.db2.gz DEVXBTPRXQYPIC-UHFFFAOYSA-N 1 0 382.533 4.138 20 0 GIADRO CCn1c([C@@H]2CCCCO2)nnc1N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000453451748 822365791 /nfs/dbraw/zinc/36/57/91/822365791.db2.gz PBCLSPRSGDRURV-ICSRJNTNSA-N 1 0 389.588 4.021 20 0 GIADRO CC[C@@H](NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)c1nc(C(F)(F)F)cs1 ZINC000178309639 822366040 /nfs/dbraw/zinc/36/60/40/822366040.db2.gz YKKIZVUGZHXEEX-GXTWGEPZSA-N 1 0 389.487 4.384 20 0 GIADRO CCn1c([C@@H]2CCCCO2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000453452660 822366053 /nfs/dbraw/zinc/36/60/53/822366053.db2.gz QEOWTPYJAROJKH-JBACZVJFSA-N 1 0 397.567 4.029 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCC1)N[C@@H](c1ccco1)c1ccccc1 ZINC000045155747 822366948 /nfs/dbraw/zinc/36/69/48/822366948.db2.gz OYRGELJWNVNFMD-HSZRJFAPSA-N 1 0 389.499 4.464 20 0 GIADRO CC[NH+](CC)CCCC1CCN([C@H](C)C(=O)Nc2c(F)cccc2F)CC1 ZINC000182785765 822367352 /nfs/dbraw/zinc/36/73/52/822367352.db2.gz KQWKINKSNNANAO-MRXNPFEDSA-N 1 0 381.511 4.126 20 0 GIADRO C[C@@H]([NH2+]Cc1csc(CNC(=O)c2ccccc2)n1)[C@@H](C)c1ccccc1 ZINC000178326962 822367387 /nfs/dbraw/zinc/36/73/87/822367387.db2.gz DOLSKDUVGAYJCN-IAGOWNOFSA-N 1 0 379.529 4.355 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1cccnc1C ZINC000453457488 822367625 /nfs/dbraw/zinc/36/76/25/822367625.db2.gz VNTDTJJTILEHML-HOCLYGCPSA-N 1 0 380.517 4.500 20 0 GIADRO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2cc(Br)ccc2F)C1 ZINC000178331594 822367934 /nfs/dbraw/zinc/36/79/34/822367934.db2.gz GNNUUDLLURKFJY-CVOVGHTJSA-N 1 0 376.335 4.319 20 0 GIADRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)CCc1cccs1 ZINC000178333510 822368014 /nfs/dbraw/zinc/36/80/14/822368014.db2.gz PGVQLNUCLZSGTO-LJQANCHMSA-N 1 0 394.544 4.271 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H](C)CCc1ccc(O)cc1 ZINC000045184705 822368444 /nfs/dbraw/zinc/36/84/44/822368444.db2.gz CSXDPEQKKGGVCF-GOSISDBHSA-N 1 0 383.536 4.055 20 0 GIADRO C[NH2+]C[C@@H]1CCCN(C(=O)CCN2c3ccccc3Sc3ccccc32)C1 ZINC000178335987 822368476 /nfs/dbraw/zinc/36/84/76/822368476.db2.gz XRGMPBGGPYKIBX-KRWDZBQOSA-N 1 0 381.545 4.137 20 0 GIADRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)c2sc(C)nc2C)cc1 ZINC000178340270 822368909 /nfs/dbraw/zinc/36/89/09/822368909.db2.gz CHOKGEQXFZZAHO-ZIAGYGMSSA-N 1 0 395.594 4.202 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1nnnn1-c1ccccc1)[C@@H](C)c1nc2ccccc2s1 ZINC000178341286 822369005 /nfs/dbraw/zinc/36/90/05/822369005.db2.gz VFVPNGAOUBZVRU-KFWWJZLASA-N 1 0 378.505 4.115 20 0 GIADRO COC(=O)c1c(C[N@H+](C)C[C@@H]2CCOC2)nc2ccccc2c1-c1ccccc1 ZINC000178340402 822369063 /nfs/dbraw/zinc/36/90/63/822369063.db2.gz HGQLGDWHFWHGGZ-KRWDZBQOSA-N 1 0 390.483 4.157 20 0 GIADRO COc1ccc(OC(F)F)c(N[C@H](C)c2cccc(OCC[NH+](C)C)c2)c1 ZINC000182797519 822369065 /nfs/dbraw/zinc/36/90/65/822369065.db2.gz RGUNAIPTJFWFKQ-CQSZACIVSA-N 1 0 380.435 4.410 20 0 GIADRO COc1ccc(Br)cc1-c1nc(C[N@H+](C)C[C@@H]2CCOC2)cs1 ZINC000178345086 822369536 /nfs/dbraw/zinc/36/95/36/822369536.db2.gz YHZKKVUGNZYLCO-LBPRGKRZSA-N 1 0 397.338 4.050 20 0 GIADRO CC(C)c1ccc([C@H](C[NH2+][C@H](C)c2nccn2C)NC(=O)OC(C)(C)C)cc1 ZINC000182811185 822371414 /nfs/dbraw/zinc/37/14/14/822371414.db2.gz WDUSMWOAPLCYMP-APWZRJJASA-N 1 0 386.540 4.460 20 0 GIADRO CCOc1cc2c(cc1C[NH2+][C@@H](C)c1ccc3c(c1)CCC(=O)N3)O[C@H](C)C2 ZINC000178394418 822375050 /nfs/dbraw/zinc/37/50/50/822375050.db2.gz SWEKBEVCEAHHGD-CABCVRRESA-N 1 0 380.488 4.144 20 0 GIADRO C[C@H](NC(=O)N1CC[C@H](Cc2ccc(F)cc2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182835658 822375359 /nfs/dbraw/zinc/37/53/59/822375359.db2.gz JTFCDRHXFOTJQB-DFQSSKMNSA-N 1 0 387.543 4.053 20 0 GIADRO Cc1nc(-c2ccc(CNC(=O)NCCCC[N@H+]3CCCC[C@H]3C)o2)cs1 ZINC000045275135 822375547 /nfs/dbraw/zinc/37/55/47/822375547.db2.gz OLKYNMTZQWERQP-OAHLLOKOSA-N 1 0 390.553 4.165 20 0 GIADRO COc1ccccc1C[C@@H]([NH2+][C@@H](C)C(=O)Nc1c(F)cccc1F)C(C)C ZINC000178399002 822375520 /nfs/dbraw/zinc/37/55/20/822375520.db2.gz COTUSCZJZGUECR-KBXCAEBGSA-N 1 0 376.447 4.157 20 0 GIADRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc(N3CCCS3(=O)=O)c2)cc1F ZINC000178406011 822376005 /nfs/dbraw/zinc/37/60/05/822376005.db2.gz AHFJBPJYZKMTEG-HZPDHXFCSA-N 1 0 376.497 4.086 20 0 GIADRO Fc1cc2cccnc2c(C[N@@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c1 ZINC000182842174 822376853 /nfs/dbraw/zinc/37/68/53/822376853.db2.gz AATLKNKXJOIMME-MRXNPFEDSA-N 1 0 378.373 4.426 20 0 GIADRO COc1cc(C[N@@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)ccc1SC ZINC000182845238 822377399 /nfs/dbraw/zinc/37/73/99/822377399.db2.gz QBBDDSAWVUXFIU-CQSZACIVSA-N 1 0 385.455 4.470 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCN(c2ncccc2F)C1)c1cc(Br)ccc1F ZINC000178423410 822377820 /nfs/dbraw/zinc/37/78/20/822377820.db2.gz CQSWUMHIKBIYKA-YPMHNXCESA-N 1 0 382.252 4.052 20 0 GIADRO CCN(c1ccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1)C(C)C ZINC000178429677 822378238 /nfs/dbraw/zinc/37/82/38/822378238.db2.gz ADVOZOACLHXRBV-GCJKJVERSA-N 1 0 384.568 4.402 20 0 GIADRO C[C@@H]([NH2+]Cc1ccccc1OCC(F)(F)F)c1ccc(N2CCOC2=O)cc1 ZINC000178436245 822378957 /nfs/dbraw/zinc/37/89/57/822378957.db2.gz JPPMPFOCIGIQDI-CQSZACIVSA-N 1 0 394.393 4.435 20 0 GIADRO C[C@H](NC(=O)Nc1ccc2oc(C3CC3)nc2c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182855357 822379574 /nfs/dbraw/zinc/37/95/74/822379574.db2.gz CBVAEHIWYHSPRZ-GOEBONIOSA-N 1 0 382.508 4.480 20 0 GIADRO COc1ccccc1[C@H](O)C[NH2+][C@H](C)c1cnn(-c2cccc(Cl)c2)c1C ZINC000178443744 822379651 /nfs/dbraw/zinc/37/96/51/822379651.db2.gz CSLVHYPZWOUIHU-JLTOFOAXSA-N 1 0 385.895 4.227 20 0 GIADRO C[C@@H](NC(=O)c1ccccc1C(=O)c1cccs1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182860059 822380815 /nfs/dbraw/zinc/38/08/15/822380815.db2.gz KSEFJJJPBVZGLJ-IAGOWNOFSA-N 1 0 396.556 4.362 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCSc2ccc(F)cc21)c1ccc(NS(C)(=O)=O)cc1 ZINC000178461350 822381324 /nfs/dbraw/zinc/38/13/24/822381324.db2.gz LBZHBAITMIFSSI-PXAZEXFGSA-N 1 0 380.510 4.085 20 0 GIADRO C[C@@H]([NH2+]CC1(c2ccc3c(c2)OCCO3)CCCC1)c1ccc([S@@](C)=O)cc1 ZINC000178462757 822381486 /nfs/dbraw/zinc/38/14/86/822381486.db2.gz NQQPAMBKWCYZMO-JYRCXFKTSA-N 1 0 399.556 4.358 20 0 GIADRO Cc1cccc([C@H]2CCCN2C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)n1 ZINC000178478652 822383223 /nfs/dbraw/zinc/38/32/23/822383223.db2.gz QCCBQYZZQJJFRU-JOCHJYFZSA-N 1 0 392.547 4.073 20 0 GIADRO CC[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1)c1ccc2c(c1)OCCO2 ZINC000178480624 822383647 /nfs/dbraw/zinc/38/36/47/822383647.db2.gz HLOIGZRLPYEJIC-OXJNMPFZSA-N 1 0 380.488 4.387 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)c1ccc(OC)c(NC(C)=O)c1)c1ccc2c(c1)OCCO2 ZINC000178480186 822383765 /nfs/dbraw/zinc/38/37/65/822383765.db2.gz ZRSJRYMBTWHRLD-KSSFIOAISA-N 1 0 384.476 4.227 20 0 GIADRO CC[C@H](NC(=O)NC1CC[NH+](Cc2ccccn2)CC1)c1ccc(Cl)cc1 ZINC000045404814 822384996 /nfs/dbraw/zinc/38/49/96/822384996.db2.gz DNJXMPCCXCRWCU-FQEVSTJZSA-N 1 0 386.927 4.150 20 0 GIADRO Cc1cc(Br)c(C[NH2+]C2CCN(C(=O)c3ccccc3)CC2)s1 ZINC000453566789 822385520 /nfs/dbraw/zinc/38/55/20/822385520.db2.gz FUROFIRGBSPGKM-UHFFFAOYSA-N 1 0 393.350 4.213 20 0 GIADRO Cc1nn2c(C[NH2+][C@@H](c3cccs3)C(C)(C)CO)c(C(C)C)nc2s1 ZINC000453571227 822385872 /nfs/dbraw/zinc/38/58/72/822385872.db2.gz BOBZQYQOSOMCSP-INIZCTEOSA-N 1 0 378.567 4.134 20 0 GIADRO COc1cc(Br)ccc1C[NH2+][C@@H](c1cccs1)C(C)(C)CO ZINC000453577490 822387139 /nfs/dbraw/zinc/38/71/39/822387139.db2.gz OSKAAEPIJBGQRC-INIZCTEOSA-N 1 0 384.339 4.369 20 0 GIADRO CC(C)c1nnc2n1C[C@H](Nc1cc[nH+]c3cc(C(F)(F)F)ccc13)CC2 ZINC000178518406 822387199 /nfs/dbraw/zinc/38/71/99/822387199.db2.gz ZAXQJVXLVMLLRG-CYBMUJFWSA-N 1 0 375.398 4.395 20 0 GIADRO Cc1cc(Br)c(C[NH+]2CCC(c3nnc4n3CCCC4)CC2)s1 ZINC000453576618 822387165 /nfs/dbraw/zinc/38/71/65/822387165.db2.gz WIWNKBXSKCGGRK-UHFFFAOYSA-N 1 0 395.370 4.126 20 0 GIADRO Cc1cc(Br)c(C[NH2+]C[C@]2(O)CCC[C@@H](C(F)(F)F)C2)s1 ZINC000453579109 822387546 /nfs/dbraw/zinc/38/75/46/822387546.db2.gz BBTNGAMZUUIQAN-MFKMUULPSA-N 1 0 386.277 4.392 20 0 GIADRO Cc1cccc(COc2ccc([C@H](C)[NH2+]CCCN3CCC(O)CC3)cc2)c1 ZINC000178523074 822387648 /nfs/dbraw/zinc/38/76/48/822387648.db2.gz KMURWBWFPNIJJY-FQEVSTJZSA-N 1 0 382.548 4.071 20 0 GIADRO Cc1cccc(COc2ccc([C@@H](C)[NH2+]CCCN3CCC(O)CC3)cc2)c1 ZINC000178523063 822387748 /nfs/dbraw/zinc/38/77/48/822387748.db2.gz KMURWBWFPNIJJY-HXUWFJFHSA-N 1 0 382.548 4.071 20 0 GIADRO C[C@H](NC(=O)N(CCC(F)(F)F)CC1CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182896449 822388019 /nfs/dbraw/zinc/38/80/19/822388019.db2.gz VEXZBABMFZMDPB-GOEBONIOSA-N 1 0 375.479 4.013 20 0 GIADRO C[C@H](NC(=O)N(CCC(F)(F)F)CC1CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182896494 822388069 /nfs/dbraw/zinc/38/80/69/822388069.db2.gz VEXZBABMFZMDPB-HOCLYGCPSA-N 1 0 375.479 4.013 20 0 GIADRO CC1(C)C[C@@H](C[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)CCO1 ZINC000453583681 822388413 /nfs/dbraw/zinc/38/84/13/822388413.db2.gz PCVPIZZCVJVUPE-ZDUSSCGKSA-N 1 0 378.314 4.134 20 0 GIADRO [NH3+]C[C@H](C(=O)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21)c1ccccc1 ZINC000178530823 822388461 /nfs/dbraw/zinc/38/84/61/822388461.db2.gz DEYVZYYGMRNFJZ-ROUUACIJSA-N 1 0 395.503 4.185 20 0 GIADRO [NH3+]C[C@@H](C(=O)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21)c1ccccc1 ZINC000178530806 822388481 /nfs/dbraw/zinc/38/84/81/822388481.db2.gz DEYVZYYGMRNFJZ-MSOLQXFVSA-N 1 0 395.503 4.185 20 0 GIADRO C[N@H+](CCCNC(=O)c1ccc(C(F)(F)F)nc1Cl)Cc1ccccc1 ZINC000178531631 822388512 /nfs/dbraw/zinc/38/85/12/822388512.db2.gz NDTNRXAAICHBST-UHFFFAOYSA-N 1 0 385.817 4.006 20 0 GIADRO CC(=O)N(c1nc(C[NH2+]C[C@H]2CCOC(C)(C)C2)cs1)c1ccc(F)cc1 ZINC000453585789 822388818 /nfs/dbraw/zinc/38/88/18/822388818.db2.gz UDFKQUARJHNFFX-HNNXBMFYSA-N 1 0 391.512 4.262 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000178544099 822390165 /nfs/dbraw/zinc/39/01/65/822390165.db2.gz NUEQDYISPCVMMC-DNVCBOLYSA-N 1 0 379.529 4.347 20 0 GIADRO CC[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)c1ccc(Cl)cc1 ZINC000453596031 822390605 /nfs/dbraw/zinc/39/06/05/822390605.db2.gz WHXVFAPVAXCVGP-UXHICEINSA-N 1 0 399.922 4.095 20 0 GIADRO Cc1cc(Br)c(C[N@@H+](C)C2CCN(CC(F)(F)F)CC2)s1 ZINC000453598950 822391047 /nfs/dbraw/zinc/39/10/47/822391047.db2.gz OXLTVDXMPYRXBM-UHFFFAOYSA-N 1 0 385.293 4.278 20 0 GIADRO C[C@@H](O)c1ccc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)cc1 ZINC000178556956 822391789 /nfs/dbraw/zinc/39/17/89/822391789.db2.gz VXUVMQALFFZHBH-IAGOWNOFSA-N 1 0 387.545 4.307 20 0 GIADRO Cc1cc(C)n(-c2ccccc2NC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC000182916039 822392055 /nfs/dbraw/zinc/39/20/55/822392055.db2.gz RRUQNRLJCTYXKJ-RBUKOAKNSA-N 1 0 395.551 4.264 20 0 GIADRO OCc1ccc(C[NH2+][C@@H]2CCSc3ccc(Br)cc32)cc1F ZINC000178564353 822392244 /nfs/dbraw/zinc/39/22/44/822392244.db2.gz RCACHSPHOKZADQ-MRXNPFEDSA-N 1 0 382.298 4.407 20 0 GIADRO C/C(=C\c1ccccc1C(F)(F)F)C[NH2+][C@@H](C)C(=O)Nc1cccnc1C ZINC000453611215 822392756 /nfs/dbraw/zinc/39/27/56/822392756.db2.gz LRRLLDZOJLYBKF-FQNOHDAGSA-N 1 0 377.410 4.429 20 0 GIADRO C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000182920096 822392973 /nfs/dbraw/zinc/39/29/73/822392973.db2.gz NPUJTVLXIDKYNY-COPCDDAFSA-N 1 0 378.520 4.011 20 0 GIADRO C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)Nc1ccc2c[nH+]ccc2c1 ZINC000453616342 822393697 /nfs/dbraw/zinc/39/36/97/822393697.db2.gz NRTHYFYTAQFQJB-HNNXBMFYSA-N 1 0 388.471 4.413 20 0 GIADRO COc1cccc(C2CCN(C(=O)N[C@@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)CC2)c1 ZINC000182927719 822394367 /nfs/dbraw/zinc/39/43/67/822394367.db2.gz NYKSIDAEUYBWSF-RXVVDRJESA-N 1 0 399.579 4.237 20 0 GIADRO COc1ccc([C@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c2ccccc2)cc1 ZINC000045545442 822394865 /nfs/dbraw/zinc/39/48/65/822394865.db2.gz XOHUCBNNVAFZEG-OAQYLSRUSA-N 1 0 395.547 4.393 20 0 GIADRO CC[C@@H](C)[N@H+](CCc1cccnc1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000178595112 822394941 /nfs/dbraw/zinc/39/49/41/822394941.db2.gz CZESLANYZQOEKO-OAHLLOKOSA-N 1 0 379.426 4.382 20 0 GIADRO C[C@@H]([NH2+][C@H](C)[C@@H](C)c1nc2ccccc2s1)C(=O)NCCc1ccccc1 ZINC000453624790 822395110 /nfs/dbraw/zinc/39/51/10/822395110.db2.gz JWPNWGPELGCUCV-BRWVUGGUSA-N 1 0 381.545 4.125 20 0 GIADRO O=C(Nc1cccc(C[NH2+][C@H]2CCSc3c(F)cccc32)c1)[C@@H]1CCCO1 ZINC000178614996 822396252 /nfs/dbraw/zinc/39/62/52/822396252.db2.gz XCAWUBYLURIGJS-OALUTQOASA-N 1 0 386.492 4.270 20 0 GIADRO CCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000045574735 822396492 /nfs/dbraw/zinc/39/64/92/822396492.db2.gz RQCQKHYWVJCKJV-UHFFFAOYSA-N 1 0 380.488 4.064 20 0 GIADRO COc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@@H](C)c2cc(C)cc(C)c2)cc1OC ZINC000182947714 822398123 /nfs/dbraw/zinc/39/81/23/822398123.db2.gz DXVMXFIBVGTNRY-GHTZIAJQSA-N 1 0 396.531 4.335 20 0 GIADRO C[C@H]([NH2+]CCc1ccc(Br)s1)c1ccc(N2CCOC2=O)cc1 ZINC000178638434 822398410 /nfs/dbraw/zinc/39/84/10/822398410.db2.gz SYFLNFSYYMHFOO-LBPRGKRZSA-N 1 0 395.322 4.361 20 0 GIADRO CC[C@@H]([NH2+]CCSCCOc1cccc(Br)c1)c1nccn1C ZINC000182952933 822398946 /nfs/dbraw/zinc/39/89/46/822398946.db2.gz AVKVMWAVHHKQQC-MRXNPFEDSA-N 1 0 398.370 4.036 20 0 GIADRO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@@H](CCO)c1ccccc1 ZINC000178646851 822399423 /nfs/dbraw/zinc/39/94/23/822399423.db2.gz GAFKBXZAKQKRLH-NVXWUHKLSA-N 1 0 394.437 4.178 20 0 GIADRO CCOC[C@H](C)Nc1ccccc1C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000182968839 822401453 /nfs/dbraw/zinc/40/14/53/822401453.db2.gz VLGMRVJKGFVHAP-KRWDZBQOSA-N 1 0 384.520 4.099 20 0 GIADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2cc3ccccc3c(Cl)n2)CC1 ZINC000178672833 822401573 /nfs/dbraw/zinc/40/15/73/822401573.db2.gz PVBKKYDGOZATJH-OAHLLOKOSA-N 1 0 394.906 4.239 20 0 GIADRO COCCC[C@@H]([NH2+]C[C@@H](C)Cn1ccnc1C)c1ccc(Br)cc1 ZINC000178699719 822403905 /nfs/dbraw/zinc/40/39/05/822403905.db2.gz ODDURQIXGAQDLJ-DNVCBOLYSA-N 1 0 394.357 4.348 20 0 GIADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]Cc1ccc(Br)s1 ZINC000178713116 822405106 /nfs/dbraw/zinc/40/51/06/822405106.db2.gz FTRRFOYYGBZTOB-SECBINFHSA-N 1 0 388.718 4.066 20 0 GIADRO CC(C)n1cc([C@H](C)[NH2+]C[C@H]2CCN(c3ccc(Br)cc3)C2)cn1 ZINC000178712832 822405117 /nfs/dbraw/zinc/40/51/17/822405117.db2.gz FXWSPIROGBFHHZ-JKSUJKDBSA-N 1 0 391.357 4.404 20 0 GIADRO Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H](C)c1ccc(OC(F)F)cc1OC(F)F ZINC000178722070 822405470 /nfs/dbraw/zinc/40/54/70/822405470.db2.gz PQFRQIHINMGDOK-VHSXEESVSA-N 1 0 375.366 4.343 20 0 GIADRO O=C(c1ccccc1)C1CC[NH+](C[C@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000178746412 822406956 /nfs/dbraw/zinc/40/69/56/822406956.db2.gz MUCUBCCTAYZMCQ-HXUWFJFHSA-N 1 0 391.433 4.204 20 0 GIADRO CCC[C@H](NC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1)c1ccccc1 ZINC000178765450 822408074 /nfs/dbraw/zinc/40/80/74/822408074.db2.gz JOZMEKKISONCBU-GCJKJVERSA-N 1 0 380.536 4.448 20 0 GIADRO C[C@@H](Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1)c1ccc(F)c(Cl)c1 ZINC000183005467 822409556 /nfs/dbraw/zinc/40/95/56/822409556.db2.gz UDEVYJNIRFKOIA-BFUOFWGJSA-N 1 0 375.875 4.102 20 0 GIADRO C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1CC[NH+](C2CCCC2)CC1 ZINC000045753684 822410403 /nfs/dbraw/zinc/41/04/03/822410403.db2.gz ZGIJTGNDRFBXAP-IBGZPJMESA-N 1 0 393.531 4.366 20 0 GIADRO Clc1ccc(OCCN2CC[NH+](C3CCCC3)CC2)c(Br)c1 ZINC000045767755 822411772 /nfs/dbraw/zinc/41/17/72/822411772.db2.gz YMPGFEMDVGFGLV-UHFFFAOYSA-N 1 0 387.749 4.042 20 0 GIADRO CC(C)C[C@@H](Cc1cccc(Br)c1)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000178808340 822412469 /nfs/dbraw/zinc/41/24/69/822412469.db2.gz AWVDQYKIMVYDSI-YJBOKZPZSA-N 1 0 395.385 4.240 20 0 GIADRO C[C@H]([NH3+])C1CCN(C(=O)CCN2c3ccccc3Sc3ccccc32)CC1 ZINC000178809612 822412570 /nfs/dbraw/zinc/41/25/70/822412570.db2.gz CIEHBCWRMSTLOQ-INIZCTEOSA-N 1 0 381.545 4.265 20 0 GIADRO Cc1cc([C@@H]2CCCN2C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)on1 ZINC000045777480 822412640 /nfs/dbraw/zinc/41/26/40/822412640.db2.gz CKJMLOAJUNDDEP-NRFANRHFSA-N 1 0 396.535 4.262 20 0 GIADRO COc1ccccc1CN(C)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000045778237 822412662 /nfs/dbraw/zinc/41/26/62/822412662.db2.gz CSKSHADXWAQXDI-LJQANCHMSA-N 1 0 395.547 4.411 20 0 GIADRO Cc1sc(CCNC(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)nc1-c1ccccc1 ZINC000178813669 822412945 /nfs/dbraw/zinc/41/29/45/822412945.db2.gz QBXFIMOIXBCZDJ-QRWLVFNGSA-N 1 0 379.529 4.113 20 0 GIADRO COc1cccc(CN(C)C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)c1 ZINC000045780491 822413095 /nfs/dbraw/zinc/41/30/95/822413095.db2.gz HNEFSPQBKLYWFB-LJQANCHMSA-N 1 0 395.547 4.411 20 0 GIADRO CCOc1ccc(CN(C)C(=O)NCc2ccccc2C[N@H+](C)C(C)C)cc1 ZINC000045790128 822413982 /nfs/dbraw/zinc/41/39/82/822413982.db2.gz RMSQTLGAJUZGBG-UHFFFAOYSA-N 1 0 383.536 4.267 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1)C(=O)NCCC1=CCCCC1 ZINC000045812637 822415413 /nfs/dbraw/zinc/41/54/13/822415413.db2.gz MCPMOIXDFQWYQI-IRXDYDNUSA-N 1 0 383.536 4.081 20 0 GIADRO CC(C)Sc1ccccc1C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000183038577 822415818 /nfs/dbraw/zinc/41/58/18/822415818.db2.gz YLTAAGCBIZKHQH-UHFFFAOYSA-N 1 0 390.593 4.152 20 0 GIADRO CSc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1 ZINC000045813175 822415847 /nfs/dbraw/zinc/41/58/47/822415847.db2.gz FIFZCVRZRPOFIQ-HUUCEWRRSA-N 1 0 397.544 4.435 20 0 GIADRO COc1cc(-c2ccccc2)ccc1C[NH2+]C1CCN(C(=O)c2ccoc2)CC1 ZINC000183045134 822416882 /nfs/dbraw/zinc/41/68/82/822416882.db2.gz WPMWLJAXAOJXQE-UHFFFAOYSA-N 1 0 390.483 4.350 20 0 GIADRO CC[NH+](CC)CCNC(=O)CCc1c2ccccc2[nH]c1-c1ccc(F)cc1 ZINC000045829315 822417429 /nfs/dbraw/zinc/41/74/29/822417429.db2.gz MIQDCMWELBQDKM-UHFFFAOYSA-N 1 0 381.495 4.365 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)N1CCCC[C@H]1c1nc[nH]n1)C1CCCCC1 ZINC000183063213 822419132 /nfs/dbraw/zinc/41/91/32/822419132.db2.gz IRIKQZOJZKKMGH-FQEVSTJZSA-N 1 0 396.539 4.328 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)C(=O)Nc3ccccc3NC(C)(C)C)ccc21 ZINC000453953912 822419843 /nfs/dbraw/zinc/41/98/43/822419843.db2.gz RAPWZDMZCQGAQF-FQEVSTJZSA-N 1 0 394.519 4.023 20 0 GIADRO CC1=NN(c2ccc(C(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)cc2)CC1 ZINC000045876408 822420955 /nfs/dbraw/zinc/42/09/55/822420955.db2.gz GFQVIWMWDCLELU-UHFFFAOYSA-N 1 0 390.531 4.189 20 0 GIADRO OCC1CC[NH+](Cc2cccc(N[C@H]3CCCOc4ccc(F)cc43)c2)CC1 ZINC000183077117 822421293 /nfs/dbraw/zinc/42/12/93/822421293.db2.gz HEGQHZKFLMEKOW-QFIPXVFZSA-N 1 0 384.495 4.356 20 0 GIADRO C[C@@H]1CCCN(C(=O)C2CC[NH+](CCc3cccc(OC(F)(F)F)c3)CC2)C1 ZINC000178916699 822421521 /nfs/dbraw/zinc/42/15/21/822421521.db2.gz KMGVHQVYMIFTFJ-MRXNPFEDSA-N 1 0 398.469 4.098 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)C(=O)Nc3cc(Cl)ccc3Cl)ccc21 ZINC000453997108 822421814 /nfs/dbraw/zinc/42/18/14/822421814.db2.gz VOZYXGXSLPZAFP-KRWDZBQOSA-N 1 0 392.286 4.120 20 0 GIADRO C[S@@](=O)C[C@@H]([NH2+]Cc1c(-c2ccccc2)nc2ccccn21)c1ccccc1 ZINC000183085076 822422900 /nfs/dbraw/zinc/42/29/00/822422900.db2.gz ZOZUJHYWZZKJMQ-PIIWDFAUSA-N 1 0 389.524 4.211 20 0 GIADRO Cc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1cccc(N3CCCS3(=O)=O)c1)CCC2 ZINC000178952310 822424294 /nfs/dbraw/zinc/42/42/94/822424294.db2.gz IROSNDKCUALEJB-VGSWGCGISA-N 1 0 384.545 4.263 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(CO)cc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000183102480 822424673 /nfs/dbraw/zinc/42/46/73/822424673.db2.gz WMKOIJBNGMDQFM-INIZCTEOSA-N 1 0 378.447 4.421 20 0 GIADRO Cc1[nH]c2ccccc2c1C1=CC[N@H+](C[C@H](O)COCc2cccs2)CC1 ZINC000178970216 822425343 /nfs/dbraw/zinc/42/53/43/822425343.db2.gz MHUDLKYIPAJASY-SFHVURJKSA-N 1 0 382.529 4.205 20 0 GIADRO C[NH2+]C[C@@H]1CCN(C(=O)[C@@H](Sc2ccc(F)c(Cl)c2)c2ccccc2)C1 ZINC000178983713 822426258 /nfs/dbraw/zinc/42/62/58/822426258.db2.gz GFTCFDWDKNLZCF-LIRRHRJNSA-N 1 0 392.927 4.380 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000045947529 822426248 /nfs/dbraw/zinc/42/62/48/822426248.db2.gz CEFBAIXHGIFGGF-INIZCTEOSA-N 1 0 381.476 4.111 20 0 GIADRO COc1cc(Cl)c(Cl)cc1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000178987933 822426707 /nfs/dbraw/zinc/42/67/07/822426707.db2.gz UGCGRCLVMKPZAA-SJCJKPOMSA-N 1 0 383.319 4.091 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000045977117 822428638 /nfs/dbraw/zinc/42/86/38/822428638.db2.gz IZUJTNUFKPOXDG-JOCHJYFZSA-N 1 0 381.495 4.468 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)cc1 ZINC000045980072 822429159 /nfs/dbraw/zinc/42/91/59/822429159.db2.gz HELHMXLZPKUKDP-KRWDZBQOSA-N 1 0 394.519 4.341 20 0 GIADRO C[C@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccc2c(c1)CCC(=O)N2 ZINC000045980970 822429399 /nfs/dbraw/zinc/42/93/99/822429399.db2.gz YGCMNEIEWFFLBZ-KRWDZBQOSA-N 1 0 391.515 4.048 20 0 GIADRO C[NH2+]C[C@H]1CCN(C(=O)c2ccc(Oc3cccc(Cl)c3Cl)cc2)C1 ZINC000179009951 822429714 /nfs/dbraw/zinc/42/97/14/822429714.db2.gz PHYAXOOZWYZZBR-CYBMUJFWSA-N 1 0 379.287 4.467 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(C)cc2C)cc1 ZINC000183140272 822429821 /nfs/dbraw/zinc/42/98/21/822429821.db2.gz XIHVCMQRIWSBSY-ZWKOTPCHSA-N 1 0 376.504 4.475 20 0 GIADRO C[NH2+]C[C@@H]1CCN(C(=O)c2ccccc2Nc2cccc(C(F)(F)F)c2)C1 ZINC000179011380 822429919 /nfs/dbraw/zinc/42/99/19/822429919.db2.gz JDLGSRZNYAPNIU-AWEZNQCLSA-N 1 0 377.410 4.131 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cc(C)ccc2C)cc1 ZINC000183142728 822430256 /nfs/dbraw/zinc/43/02/56/822430256.db2.gz GHZZJCLMIOSRGN-QZTJIDSGSA-N 1 0 376.504 4.475 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)N(Cc1ccco1)Cc1ccco1 ZINC000045985618 822430470 /nfs/dbraw/zinc/43/04/70/822430470.db2.gz RXXOYZBLUOLWND-UHFFFAOYSA-N 1 0 393.487 4.380 20 0 GIADRO C[NH2+]C[C@H]1CCN(C(=O)c2c(Cl)cccc2Oc2ccccc2Cl)C1 ZINC000179019496 822430571 /nfs/dbraw/zinc/43/05/71/822430571.db2.gz YDJXUDYLNOBIOD-CYBMUJFWSA-N 1 0 379.287 4.467 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)N(C)Cc2ccc(F)cc2F)c1 ZINC000045986337 822430599 /nfs/dbraw/zinc/43/05/99/822430599.db2.gz LCVHXICKJMWRLD-UHFFFAOYSA-N 1 0 375.463 4.148 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)N(C)Cc2ccc(OC)c(F)c2)c1 ZINC000045986354 822430606 /nfs/dbraw/zinc/43/06/06/822430606.db2.gz FCSREVUHLXIHNA-UHFFFAOYSA-N 1 0 387.499 4.018 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)Nc2cccc(NC(=O)C(C)C)c2)c1 ZINC000045986802 822430729 /nfs/dbraw/zinc/43/07/29/822430729.db2.gz COZWZYCXWSKEAQ-UHFFFAOYSA-N 1 0 396.535 4.445 20 0 GIADRO COc1cccc(C[C@H]([NH2+]C2CCN(c3ccccc3OC)CC2)C2CC2)c1 ZINC000179022146 822430764 /nfs/dbraw/zinc/43/07/64/822430764.db2.gz YPGQRENUDVUFGM-QFIPXVFZSA-N 1 0 380.532 4.284 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(F)cc2Cl)cc1 ZINC000183148160 822431267 /nfs/dbraw/zinc/43/12/67/822431267.db2.gz HXYWZWFAFLQHRM-CYBMUJFWSA-N 1 0 386.858 4.263 20 0 GIADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)Nc2ccc(OCC3CC3)cc2)CC1 ZINC000179030696 822431607 /nfs/dbraw/zinc/43/16/07/822431607.db2.gz YADPPWHJEPOWSU-KRWDZBQOSA-N 1 0 394.519 4.218 20 0 GIADRO COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]Cc2cccc(N(C)C)n2)c1 ZINC000179033832 822431808 /nfs/dbraw/zinc/43/18/08/822431808.db2.gz VQRVNAISOOTVRE-UHFFFAOYSA-N 1 0 393.535 4.065 20 0 GIADRO CN(C)c1cccc(C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)n1 ZINC000179034208 822431813 /nfs/dbraw/zinc/43/18/13/822431813.db2.gz RKGDUYYYTDKRPW-UHFFFAOYSA-N 1 0 397.526 4.349 20 0 GIADRO C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000454130099 822431924 /nfs/dbraw/zinc/43/19/24/822431924.db2.gz AUWOEVFDWADKFP-WBVHZDCISA-N 1 0 383.458 4.023 20 0 GIADRO Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000183155863 822432806 /nfs/dbraw/zinc/43/28/06/822432806.db2.gz LPRYKZOJCLGRBT-UHFFFAOYSA-N 1 0 388.443 4.106 20 0 GIADRO COC1CCC([NH2+]CCSCCOc2cccc(Br)c2)CC1 ZINC000183157328 822433077 /nfs/dbraw/zinc/43/30/77/822433077.db2.gz FWJABZCJGJLADW-UHFFFAOYSA-N 1 0 388.371 4.108 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)c1ccccc1Br)c1ccccc1-n1cccn1 ZINC000183160262 822433290 /nfs/dbraw/zinc/43/32/90/822433290.db2.gz HQXIICHGVSQEJZ-LIRRHRJNSA-N 1 0 386.293 4.019 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)c1ccccc1Br)c1ccccc1-n1cccn1 ZINC000183160318 822433460 /nfs/dbraw/zinc/43/34/60/822433460.db2.gz HQXIICHGVSQEJZ-AUUYWEPGSA-N 1 0 386.293 4.019 20 0 GIADRO CSc1cccc(NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000454160584 822434202 /nfs/dbraw/zinc/43/42/02/822434202.db2.gz WHECFFUFDZTLIS-UHFFFAOYSA-N 1 0 375.460 4.289 20 0 GIADRO O=C1C[C@H](C[NH2+]Cc2cc(Cl)cc3cccnc32)CN1Cc1ccccc1 ZINC000179059448 822434348 /nfs/dbraw/zinc/43/43/48/822434348.db2.gz UVVGOWCFBBVPLI-QGZVFWFLSA-N 1 0 379.891 4.027 20 0 GIADRO O=C1C[C@H](C[NH2+]Cc2ccc(-c3ccncc3)cc2F)CN1Cc1ccccc1 ZINC000179059782 822434356 /nfs/dbraw/zinc/43/43/56/822434356.db2.gz AEUAEMALMUALHF-LJQANCHMSA-N 1 0 389.474 4.026 20 0 GIADRO COc1cccc([C@H]2C[C@H](NC(=O)NCc3ccccc3C[NH+]3CCCC3)C2)c1 ZINC000454163605 822434510 /nfs/dbraw/zinc/43/45/10/822434510.db2.gz HPFKFEIRZKMAOC-HZCBDIJESA-N 1 0 393.531 4.036 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1)c1ccccc1-n1cccn1 ZINC000183172401 822435547 /nfs/dbraw/zinc/43/55/47/822435547.db2.gz AAHFJPKQVINITN-ZWOKBUDYSA-N 1 0 399.922 4.315 20 0 GIADRO C[C@@H]([NH2+]Cc1cn2cc(Cl)ccc2n1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000179090437 822436942 /nfs/dbraw/zinc/43/69/42/822436942.db2.gz VOVPPWGSBXDNHD-OPAMFIHVSA-N 1 0 399.922 4.403 20 0 GIADRO O=C(C[NH2+][C@H]1CCCOc2cc3c(cc21)CCC3)Nc1ccc(F)c(F)c1F ZINC000179099210 822437884 /nfs/dbraw/zinc/43/78/84/822437884.db2.gz KEIVIHCGTAPCGE-INIZCTEOSA-N 1 0 390.405 4.035 20 0 GIADRO O=C(NCc1ccccc1N1CCCCC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000183196009 822439587 /nfs/dbraw/zinc/43/95/87/822439587.db2.gz QRWZVNUHBWCXAM-UHFFFAOYSA-N 1 0 398.595 4.273 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)N1CC[C@@H]2C[C@H](O)CC[C@@H]2C1)C1CCCCC1 ZINC000454233241 822441671 /nfs/dbraw/zinc/44/16/71/822441671.db2.gz WWLKPZHZXHMOBD-WOIUINJBSA-N 1 0 399.579 4.466 20 0 GIADRO Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)[NH2+]CC(C)(C)C(N)=O ZINC000183207688 822441735 /nfs/dbraw/zinc/44/17/35/822441735.db2.gz OHOZHJAUSKRZBT-SNVBAGLBSA-N 1 0 396.354 4.043 20 0 GIADRO CO[C@@H]([C@H](C)NC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1)C1CC1 ZINC000454232883 822441780 /nfs/dbraw/zinc/44/17/80/822441780.db2.gz WLPUYRWVYFDVDI-SBUREZEXSA-N 1 0 395.547 4.028 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000454236180 822441934 /nfs/dbraw/zinc/44/19/34/822441934.db2.gz FEBFWIUTZBFZSH-UHFFFAOYSA-N 1 0 393.582 4.072 20 0 GIADRO CC(C)(C)O[C@H](C(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000179143190 822442750 /nfs/dbraw/zinc/44/27/50/822442750.db2.gz VUJSTCNUGWTUIA-QHCPKHFHSA-N 1 0 394.559 4.366 20 0 GIADRO CCN(Cc1ccncc1)C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000046129334 822442919 /nfs/dbraw/zinc/44/29/19/822442919.db2.gz NNFQCUHNXRZPDE-PMACEKPBSA-N 1 0 394.563 4.291 20 0 GIADRO CCCOc1ccc(NC(=O)NC2CC[NH+](C3CCC3)CC2)cc1OCCC ZINC000454246230 822443183 /nfs/dbraw/zinc/44/31/83/822443183.db2.gz YHDVVLGMYWVSPO-UHFFFAOYSA-N 1 0 389.540 4.403 20 0 GIADRO COc1cc(Br)cc(C)c1NC(=O)NCCCCC[NH+]1CCCC1 ZINC000454251450 822443598 /nfs/dbraw/zinc/44/35/98/822443598.db2.gz QDMKHUNGDXVRNN-UHFFFAOYSA-N 1 0 398.345 4.154 20 0 GIADRO COc1cccc([C@@H]2[C@H](NC(=O)[C@@H](C)c3cccc(F)c3)CC[N@@H+]2C2CC2)c1 ZINC000183231497 822444857 /nfs/dbraw/zinc/44/48/57/822444857.db2.gz NQYHXLOYYLBFDY-ITEAAPOESA-N 1 0 382.479 4.032 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@]2(CCSC2)C1)c1ccsc1 ZINC000454260088 822445284 /nfs/dbraw/zinc/44/52/84/822445284.db2.gz LAXDEWNRJPFWCZ-HKUYNNGSSA-N 1 0 381.611 4.060 20 0 GIADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2ccccc2NC(=O)OCc2ccccc2)C1 ZINC000183234061 822445500 /nfs/dbraw/zinc/44/55/00/822445500.db2.gz QRGOCPSNNKMYTI-RTBURBONSA-N 1 0 395.503 4.038 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1cccc(CO)c1 ZINC000183235968 822445967 /nfs/dbraw/zinc/44/59/67/822445967.db2.gz DGZVYEFPKMYMEU-AWEZNQCLSA-N 1 0 375.394 4.234 20 0 GIADRO CCCc1ncc(CNC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)o1 ZINC000454264270 822446042 /nfs/dbraw/zinc/44/60/42/822446042.db2.gz LOVFCHRDNCUGPR-KRWDZBQOSA-N 1 0 384.524 4.001 20 0 GIADRO COc1cccc([C@H]2[C@H](NC(=O)c3cccc(C(F)F)c3)CC[N@@H+]2C2CC2)c1 ZINC000183238532 822446403 /nfs/dbraw/zinc/44/64/03/822446403.db2.gz GTEOVJMWDLVBPH-UXHICEINSA-N 1 0 386.442 4.341 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)c1cccc(F)c1F ZINC000183241437 822446909 /nfs/dbraw/zinc/44/69/09/822446909.db2.gz SBLOZJVORASGSM-XHSDSOJGSA-N 1 0 388.458 4.065 20 0 GIADRO CCc1nocc1CN(C)C(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000454276447 822448551 /nfs/dbraw/zinc/44/85/51/822448551.db2.gz TZZOEMMUWOSAHP-HDICACEKSA-N 1 0 398.551 4.057 20 0 GIADRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000454276028 822448610 /nfs/dbraw/zinc/44/86/10/822448610.db2.gz VZYBDQWCHNJJKC-JOCHJYFZSA-N 1 0 393.531 4.223 20 0 GIADRO O=C(Nc1nc(CN2CCCCC2)cs1)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000454276465 822448616 /nfs/dbraw/zinc/44/86/16/822448616.db2.gz UDAQWNQTCQNCSZ-QGZVFWFLSA-N 1 0 386.521 4.481 20 0 GIADRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000454276029 822448623 /nfs/dbraw/zinc/44/86/23/822448623.db2.gz VZYBDQWCHNJJKC-QFIPXVFZSA-N 1 0 393.531 4.223 20 0 GIADRO C[C@H](NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ncc(Br)s1 ZINC000179189018 822448698 /nfs/dbraw/zinc/44/86/98/822448698.db2.gz QLYFUPQSTCAJNN-DZGCQCFKSA-N 1 0 380.355 4.393 20 0 GIADRO C[C@@H](NCCC[N@@H+]1CCc2ccccc2C1)c1ncc(Br)s1 ZINC000179198253 822449694 /nfs/dbraw/zinc/44/96/94/822449694.db2.gz CCHNTZXYKINPMQ-CYBMUJFWSA-N 1 0 380.355 4.005 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)N3CC(C)(C)[C@H]4CCC[C@@H]43)c(C)c2)CC1 ZINC000454280304 822449827 /nfs/dbraw/zinc/44/98/27/822449827.db2.gz ZUZCWJMMDBLYGI-FPOVZHCZSA-N 1 0 384.568 4.179 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)N3CC(C)(C)[C@H]4CCC[C@H]43)c(C)c2)CC1 ZINC000454280306 822449882 /nfs/dbraw/zinc/44/98/82/822449882.db2.gz ZUZCWJMMDBLYGI-PZJWPPBQSA-N 1 0 384.568 4.179 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2Br)c1ccc(S(C)(=O)=O)cc1 ZINC000179203621 822450532 /nfs/dbraw/zinc/45/05/32/822450532.db2.gz QPUGSCCZEZZDCT-KZULUSFZSA-N 1 0 394.334 4.191 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)Nc2cncc(Br)c2)CC1 ZINC000183269162 822451218 /nfs/dbraw/zinc/45/12/18/822451218.db2.gz XYNXXUOGXFTZNT-UHFFFAOYSA-N 1 0 397.361 4.210 20 0 GIADRO CN(Cc1ccsc1)C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000046226316 822452518 /nfs/dbraw/zinc/45/25/18/822452518.db2.gz CEZAGLRLMQZXAU-GOSISDBHSA-N 1 0 377.941 4.380 20 0 GIADRO CCN(Cc1ccncc1)C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000046226528 822452568 /nfs/dbraw/zinc/45/25/68/822452568.db2.gz XPLNKPYLLQDKKG-HXUWFJFHSA-N 1 0 386.927 4.104 20 0 GIADRO CN(Cc1cccs1)C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000046226308 822452609 /nfs/dbraw/zinc/45/26/09/822452609.db2.gz LRASNSLCNOGOEU-GOSISDBHSA-N 1 0 377.941 4.380 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@@H](C(F)(F)F)C[C@@H]2C)c1 ZINC000454297124 822453644 /nfs/dbraw/zinc/45/36/44/822453644.db2.gz NJIXPQHJOZHPOX-MAUKXSAKSA-N 1 0 385.474 4.401 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)N2CC(c3ccc(Cl)cc3)C2)CC1 ZINC000454304834 822455115 /nfs/dbraw/zinc/45/51/15/822455115.db2.gz RCDCNFCIXFSTLC-UHFFFAOYSA-N 1 0 398.938 4.113 20 0 GIADRO CCC[N@H+](Cc1cccc(COC)c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000179235423 822455308 /nfs/dbraw/zinc/45/53/08/822455308.db2.gz IHTHZNVXUFZOAK-UHFFFAOYSA-N 1 0 380.532 4.350 20 0 GIADRO C[C@H](N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1ncc(Br)s1 ZINC000179239060 822455928 /nfs/dbraw/zinc/45/59/28/822455928.db2.gz JCRSXXXZGQJDRN-IPYPFGDCSA-N 1 0 380.355 4.219 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)N2CC[C@@H](C(F)(F)F)C[C@@H]2C)CC1 ZINC000454326834 822458227 /nfs/dbraw/zinc/45/82/27/822458227.db2.gz YBWWMFVNCGREPV-FUHWJXTLSA-N 1 0 397.485 4.332 20 0 GIADRO CCCc1ncc(CNC(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)o1 ZINC000454327790 822458470 /nfs/dbraw/zinc/45/84/70/822458470.db2.gz YIABIWIBVLAIJY-QGZVFWFLSA-N 1 0 384.524 4.001 20 0 GIADRO C[C@H]([NH2+]CCOc1c(Cl)cc(Br)cc1Cl)[C@@H]1CCOC1 ZINC000183330518 822459808 /nfs/dbraw/zinc/45/98/08/822459808.db2.gz SILGDCMFJQTQPR-VHSXEESVSA-N 1 0 383.113 4.149 20 0 GIADRO C[NH+]1CCC(Nc2ccccc2NC(=O)c2cnc3ccc(F)cc3c2)CC1 ZINC000179287711 822461184 /nfs/dbraw/zinc/46/11/84/822461184.db2.gz KRGIQNOOPCZLON-UHFFFAOYSA-N 1 0 378.451 4.132 20 0 GIADRO Cc1ccc(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c(C2CC2)n1 ZINC000454364806 822462614 /nfs/dbraw/zinc/46/26/14/822462614.db2.gz UDGRQEJDILIPSH-UHFFFAOYSA-N 1 0 383.923 4.315 20 0 GIADRO C[C@H](NC(=O)c1ccccc1NCc1cccnc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183361882 822463841 /nfs/dbraw/zinc/46/38/41/822463841.db2.gz BCEXVFHXOUDVSX-ICSRJNTNSA-N 1 0 392.547 4.077 20 0 GIADRO C[C@@H](NC(=O)c1ccccc1NCc1cccnc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183361900 822463879 /nfs/dbraw/zinc/46/38/79/822463879.db2.gz BCEXVFHXOUDVSX-QUCCMNQESA-N 1 0 392.547 4.077 20 0 GIADRO Cc1c([C@@H](C)[NH2+]CC(=O)Nc2ccc(Oc3cccc(C)c3)cc2)cnn1C ZINC000183363238 822464029 /nfs/dbraw/zinc/46/40/29/822464029.db2.gz FVQXJSVHWCCXPD-MRXNPFEDSA-N 1 0 378.476 4.119 20 0 GIADRO COc1cc(N[C@H]2CCC[N@H+](Cc3cccc4cnccc43)C2)cc(OC)c1 ZINC000183366685 822464307 /nfs/dbraw/zinc/46/43/07/822464307.db2.gz NIKDNCAFYSTLAN-IBGZPJMESA-N 1 0 377.488 4.329 20 0 GIADRO C[N@@H+]1CC[C@H](CNC(=O)NCc2ccsc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179312659 822464618 /nfs/dbraw/zinc/46/46/18/822464618.db2.gz SNFSQXWZVHOJJP-PBHICJAKSA-N 1 0 381.904 4.033 20 0 GIADRO CC(=O)Nc1cc(NC(=O)N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)ccc1F ZINC000454375929 822465008 /nfs/dbraw/zinc/46/50/08/822465008.db2.gz OIUUHTNZQMFSMQ-UHFFFAOYSA-N 1 0 392.519 4.148 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000183374280 822465550 /nfs/dbraw/zinc/46/55/50/822465550.db2.gz ZCRZZBHQOYEBHB-IAGOWNOFSA-N 1 0 376.504 4.209 20 0 GIADRO COC[C@@H]([NH2+]Cc1ccc(COC2CCOCC2)cc1)c1ccc(F)c(F)c1 ZINC000183376499 822465667 /nfs/dbraw/zinc/46/56/67/822465667.db2.gz VKGBYJBYCZQOQK-JOCHJYFZSA-N 1 0 391.458 4.138 20 0 GIADRO COCC[N@H+](C)CCCC1CCN(C(=O)c2cc(SC)ccc2Cl)CC1 ZINC000179324625 822466298 /nfs/dbraw/zinc/46/62/98/822466298.db2.gz HGLUIGZOSQLPNI-UHFFFAOYSA-N 1 0 399.000 4.273 20 0 GIADRO COCC[N@H+](C)CCCC1CCN(C(=O)C[C@H]2CCCc3ccccc32)CC1 ZINC000179325331 822466304 /nfs/dbraw/zinc/46/63/04/822466304.db2.gz JSBZLVRRMNTYEV-JOCHJYFZSA-N 1 0 386.580 4.094 20 0 GIADRO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)[NH2+][C@@H](C)c1cccnc1 ZINC000183384523 822466902 /nfs/dbraw/zinc/46/69/02/822466902.db2.gz MDEVKLVYTMPWAG-JSGCOSHPSA-N 1 0 389.521 4.005 20 0 GIADRO COc1cccc(Cl)c1C[NH+]1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000179332367 822467149 /nfs/dbraw/zinc/46/71/49/822467149.db2.gz CKVNOYMSSBHROM-UHFFFAOYSA-N 1 0 390.886 4.016 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1cc(Br)ccc1F ZINC000046375007 822467209 /nfs/dbraw/zinc/46/72/09/822467209.db2.gz OQGKZJQSBKBBHW-UHFFFAOYSA-N 1 0 391.284 4.114 20 0 GIADRO c1coc([C@H]([NH2+]CC2(c3ccc4c(c3)OCO4)CCOCC2)c2ccccc2)c1 ZINC000183406763 822469412 /nfs/dbraw/zinc/46/94/12/822469412.db2.gz YFGPXUSPKFVHMF-HSZRJFAPSA-N 1 0 391.467 4.436 20 0 GIADRO Cc1nc(NC(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)sc1C ZINC000179363118 822471582 /nfs/dbraw/zinc/47/15/82/822471582.db2.gz BHRDTPZJLJRRRB-CZUORRHYSA-N 1 0 396.919 4.367 20 0 GIADRO C[C@@H](c1nc2ccccc2s1)N(C)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000046426621 822472222 /nfs/dbraw/zinc/47/22/22/822472222.db2.gz BHGNUGLUTQWPBD-ZACQAIPSSA-N 1 0 388.581 4.367 20 0 GIADRO CC(=O)N(c1nc(CN2CCC[N@@H+](C3CC3)CC2)cs1)c1ccc(C)cc1C ZINC000179374482 822473351 /nfs/dbraw/zinc/47/33/51/822473351.db2.gz KQEBMHLNQYCIJZ-UHFFFAOYSA-N 1 0 398.576 4.115 20 0 GIADRO CC[C@H](C)n1ncc(C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)c1C1CC1 ZINC000179382333 822474488 /nfs/dbraw/zinc/47/44/88/822474488.db2.gz KVKMGCRXSMLXLQ-KRWDZBQOSA-N 1 0 395.551 4.126 20 0 GIADRO Cc1ccc(NC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1OCC(F)F ZINC000183456178 822477462 /nfs/dbraw/zinc/47/74/62/822477462.db2.gz GEOJEKBNGDMAJV-JKSUJKDBSA-N 1 0 395.494 4.413 20 0 GIADRO Cc1cc2ncc([C@H](C)[NH2+]CC3(c4ccc(Cl)cc4)CCOCC3)c(C)n2n1 ZINC000179412791 822479036 /nfs/dbraw/zinc/47/90/36/822479036.db2.gz LPKSIJNFZLCVDR-INIZCTEOSA-N 1 0 398.938 4.399 20 0 GIADRO C[C@H]([NH2+]C[C@@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1)c1nccs1 ZINC000179423269 822480353 /nfs/dbraw/zinc/48/03/53/822480353.db2.gz SWCKWOQCOHPFRS-YOEHRIQHSA-N 1 0 379.957 4.299 20 0 GIADRO Cc1cc2ncc([C@@H](C)[NH2+]Cc3ccnc(O[C@@H](C)CC(C)C)c3)c(C)n2n1 ZINC000179427714 822481006 /nfs/dbraw/zinc/48/10/06/822481006.db2.gz AGQDKCBICQJFLE-DLBZAZTESA-N 1 0 381.524 4.405 20 0 GIADRO CC(F)(F)CCNC(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000454479073 822481832 /nfs/dbraw/zinc/48/18/32/822481832.db2.gz GLNQSMIVBKANCR-UHFFFAOYSA-N 1 0 381.511 4.066 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc2ccn(CCOC)c2c1)c1ccco1 ZINC000179435520 822482194 /nfs/dbraw/zinc/48/21/94/822482194.db2.gz WMSATCGQDMTYBW-FQEVSTJZSA-N 1 0 398.507 4.085 20 0 GIADRO CCC[C@@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000183480466 822482622 /nfs/dbraw/zinc/48/26/22/822482622.db2.gz PHAWLFDPUFOPKD-LAUBAEHRSA-N 1 0 381.520 4.450 20 0 GIADRO CC[C@H](C)n1ncc(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)c1C1CC1 ZINC000179437553 822482754 /nfs/dbraw/zinc/48/27/54/822482754.db2.gz LCRVILUITVRHRA-SFHVURJKSA-N 1 0 394.563 4.374 20 0 GIADRO Cc1cnn(-c2ccc(NC(=O)N[C@@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)cc2F)c1 ZINC000183488127 822484176 /nfs/dbraw/zinc/48/41/76/822484176.db2.gz AADUNJWUTDHRRI-IRXDYDNUSA-N 1 0 399.514 4.094 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CCCc2c(C)nn(C)c2C)cc1Br ZINC000183489965 822484610 /nfs/dbraw/zinc/48/46/10/822484610.db2.gz BESMBCBBKQVLJS-GFCCVEGCSA-N 1 0 380.330 4.091 20 0 GIADRO O=C(N[C@H]1CCc2c1ccc(Cl)c2Cl)NC1CC[NH+](C2CCC2)CC1 ZINC000454496183 822484948 /nfs/dbraw/zinc/48/49/48/822484948.db2.gz MHTBSCPIYLWVPF-KRWDZBQOSA-N 1 0 382.335 4.297 20 0 GIADRO COC1CC[NH+](C(C)(C)CNC(=O)N2CC3(CCCC3)[C@H]2c2ccccc2)CC1 ZINC000454499837 822485687 /nfs/dbraw/zinc/48/56/87/822485687.db2.gz VMWNELJDGYAOIP-OAQYLSRUSA-N 1 0 399.579 4.203 20 0 GIADRO CCc1nn(C)c(OC)c1C[NH2+][C@H]1C[C@@H](C)c2c1cccc2Br ZINC000179466698 822486982 /nfs/dbraw/zinc/48/69/82/822486982.db2.gz GBIUPZHPCIXECC-BZNIZROVSA-N 1 0 378.314 4.092 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+]C[C@H](C)c2nc(-c3ccccc3)no2)s1 ZINC000179479851 822488759 /nfs/dbraw/zinc/48/87/59/822488759.db2.gz ATUZPULZINFWPU-UONOGXRCSA-N 1 0 386.521 4.145 20 0 GIADRO C[C@@H](C[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1)c1nc(-c2ccccc2)no1 ZINC000179479613 822488817 /nfs/dbraw/zinc/48/88/17/822488817.db2.gz SPECQGUJBRVXCN-HOTGVXAUSA-N 1 0 392.459 4.148 20 0 GIADRO Cc1cccnc1[C@H](NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1)C(C)C ZINC000454515847 822489012 /nfs/dbraw/zinc/48/90/12/822489012.db2.gz PAAILVVIPNYURI-SIKLNZKXSA-N 1 0 394.563 4.251 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCCN(Cc3ccccc3)C2=O)cc1 ZINC000179495927 822490912 /nfs/dbraw/zinc/49/09/12/822490912.db2.gz MFOVERJEXBHLBH-FDDCHVKYSA-N 1 0 388.515 4.023 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@H]2CSc3ccccc32)CC1 ZINC000454522839 822491043 /nfs/dbraw/zinc/49/10/43/822491043.db2.gz RCBQNNVKPSWMPP-MJGOQNOKSA-N 1 0 395.572 4.401 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@@H]2CCCN(Cc3ccccc3)C2=O)ccc1SC ZINC000179496842 822491141 /nfs/dbraw/zinc/49/11/41/822491141.db2.gz YLHRZBSNYFWJOV-QFBILLFUSA-N 1 0 384.545 4.259 20 0 GIADRO C[C@H]([NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000179497299 822491340 /nfs/dbraw/zinc/49/13/40/822491340.db2.gz DBRITCMYZGBAGX-RDJZCZTQSA-N 1 0 392.421 4.285 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1cccc(-n2ccnc2)c1 ZINC000183537504 822491765 /nfs/dbraw/zinc/49/17/65/822491765.db2.gz GMWAQJKCFWEMCE-PKOBYXMFSA-N 1 0 384.524 4.313 20 0 GIADRO C[C@H]([NH2+][C@H]1CCCN(c2ccccc2F)C1)c1ccc(N2CCOC2=O)cc1 ZINC000179499798 822492139 /nfs/dbraw/zinc/49/21/39/822492139.db2.gz RNJOKJKMDASLAA-WMZOPIPTSA-N 1 0 383.467 4.102 20 0 GIADRO CSCC1CCC(NC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)CC1 ZINC000454531584 822492430 /nfs/dbraw/zinc/49/24/30/822492430.db2.gz YDVOYABRIILJIB-ZJRDLVKKSA-N 1 0 389.609 4.433 20 0 GIADRO C[C@H](NC(=O)NCCCC[N@@H+]1CCCC[C@H]1C)c1ccc(OC(F)F)cc1 ZINC000046612959 822492554 /nfs/dbraw/zinc/49/25/54/822492554.db2.gz VLWHKBVSRXBBOZ-CVEARBPZSA-N 1 0 383.483 4.303 20 0 GIADRO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[NH2+][C@H](C)c1oc2ccccc2c1C ZINC000183543801 822492701 /nfs/dbraw/zinc/49/27/01/822492701.db2.gz DWVWSPAQYLJLRB-QAPCUYQASA-N 1 0 397.471 4.043 20 0 GIADRO CCOc1ccc(NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)c(C)c1 ZINC000454534427 822492827 /nfs/dbraw/zinc/49/28/27/822492827.db2.gz JCDPRZGMOJNAJP-UHFFFAOYSA-N 1 0 387.446 4.274 20 0 GIADRO COc1ccc(CNC(=O)[C@H](C)[NH2+][C@H](C)c2oc3ccccc3c2C)cc1OC ZINC000183545333 822492870 /nfs/dbraw/zinc/49/28/70/822492870.db2.gz HLZSFMMPIRTJMD-CVEARBPZSA-N 1 0 396.487 4.114 20 0 GIADRO O=C(NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1)Nc1ccon1 ZINC000183546932 822493101 /nfs/dbraw/zinc/49/31/01/822493101.db2.gz LVPUNGXDEYADKJ-UHFFFAOYSA-N 1 0 376.460 4.259 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)Cc2noc3ccccc23)cc1 ZINC000046615620 822493211 /nfs/dbraw/zinc/49/32/11/822493211.db2.gz OKWXMQZUYPEOAZ-QGZVFWFLSA-N 1 0 377.488 4.061 20 0 GIADRO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000179515868 822494894 /nfs/dbraw/zinc/49/48/94/822494894.db2.gz LWPWJGPRHWFKIO-OLZOCXBDSA-N 1 0 376.287 4.443 20 0 GIADRO Cc1cc2ncc([C@@H](C)[NH2+][C@@H]3CCN(c4ccc(Cl)c(F)c4)C3)c(C)n2n1 ZINC000179525156 822496920 /nfs/dbraw/zinc/49/69/20/822496920.db2.gz PVWXAFAPQYSQKB-UKRRQHHQSA-N 1 0 387.890 4.068 20 0 GIADRO CCC[C@@H]1C[C@H](C(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)CCO1 ZINC000183580215 822497167 /nfs/dbraw/zinc/49/71/67/822497167.db2.gz KGEBYRSWERVMOU-IEBWSBKVSA-N 1 0 376.566 4.078 20 0 GIADRO C[C@@H]1C[C@H]1[C@H](NC(=O)NC1CC[NH+](C2CCC2)CC1)c1ccc(Cl)cc1 ZINC000454567438 822497874 /nfs/dbraw/zinc/49/78/74/822497874.db2.gz PWBAMHVHNDMWHD-JSNMRZPZSA-N 1 0 375.944 4.353 20 0 GIADRO CCn1nc(C)c(NC(=O)NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)c1C ZINC000179530778 822497928 /nfs/dbraw/zinc/49/79/28/822497928.db2.gz WPTSTKBWDFBQOL-CALCHBBNSA-N 1 0 397.567 4.319 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2sc(C)nc2C(F)(F)F)C1)CC(F)(F)F ZINC000183602161 822499953 /nfs/dbraw/zinc/49/99/53/822499953.db2.gz YUOQDGOWPGDDMM-LLVKDONJSA-N 1 0 389.409 4.176 20 0 GIADRO CSCC1CCC(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000454594251 822502935 /nfs/dbraw/zinc/50/29/35/822502935.db2.gz LWAOWBGVZHUSEE-VWEINGBSSA-N 1 0 389.609 4.261 20 0 GIADRO Cc1c2ccccc2oc1[C@@H](C)[NH2+]CC(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000183627117 822503193 /nfs/dbraw/zinc/50/31/93/822503193.db2.gz RTAIKDKCIZVOFU-MOPGFXCFSA-N 1 0 391.515 4.035 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)Cc1c(F)cccc1F ZINC000454597973 822503756 /nfs/dbraw/zinc/50/37/56/822503756.db2.gz CSPLYADWTZHBSZ-IERDGZPVSA-N 1 0 387.474 4.017 20 0 GIADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)N[C@@H](CC1CCC1)c1ccccc1 ZINC000183636451 822504758 /nfs/dbraw/zinc/50/47/58/822504758.db2.gz TZLWZQHOTWGXHX-QFIPXVFZSA-N 1 0 380.536 4.086 20 0 GIADRO COc1cccc([C@@H](CNC(=O)CCc2ccc3[nH]ccc3c2)[NH+]2CCCC2)c1 ZINC000179573541 822505634 /nfs/dbraw/zinc/50/56/34/822505634.db2.gz HWZGYASCJUJBLM-HSZRJFAPSA-N 1 0 391.515 4.062 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CCCCC2(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000454615403 822506761 /nfs/dbraw/zinc/50/67/61/822506761.db2.gz ZVDMBIREOPCXNY-NEWSRXKRSA-N 1 0 379.495 4.164 20 0 GIADRO CCOc1ccc(-c2nc(C[NH2+][C@H](CCO)C(C)(C)C)cs2)cc1OC ZINC000183660215 822507241 /nfs/dbraw/zinc/50/72/41/822507241.db2.gz IUIAABFUNUCAML-GOSISDBHSA-N 1 0 378.538 4.104 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1nc(-c2ccco2)cs1)c1cccc(OC(F)F)c1 ZINC000179589475 822507978 /nfs/dbraw/zinc/50/79/78/822507978.db2.gz PMARHMAIJQNJCW-NSHDSACASA-N 1 0 393.415 4.294 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1ccc(OC(F)F)cc1)c1cccc(OC(F)F)c1 ZINC000179591854 822508677 /nfs/dbraw/zinc/50/86/77/822508677.db2.gz BHZZQCHXKJMIBU-NSHDSACASA-N 1 0 386.345 4.179 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@H](C(F)(F)F)C[C@H]1C ZINC000454630336 822509297 /nfs/dbraw/zinc/50/92/97/822509297.db2.gz YNYDJVQKHCRWBW-FPAYPSAMSA-N 1 0 397.485 4.269 20 0 GIADRO CSc1ccc(CN(C)C(=O)C[NH2+][C@H](C)c2ccc(OC(F)F)cc2)cc1 ZINC000179599448 822510054 /nfs/dbraw/zinc/51/00/54/822510054.db2.gz PLGRWOAOGZEKOQ-CQSZACIVSA-N 1 0 394.487 4.319 20 0 GIADRO Brc1ccc([C@@H]([NH2+]CCCOC[C@@H]2CCCO2)c2ccco2)cc1 ZINC000183681427 822510533 /nfs/dbraw/zinc/51/05/33/822510533.db2.gz RBJQRUDLHUDUHZ-PKOBYXMFSA-N 1 0 394.309 4.307 20 0 GIADRO O[C@@H](C[NH2+]C1(c2ccc(F)cc2)CCOCC1)c1ccc(Cl)cc1Cl ZINC000179601039 822510530 /nfs/dbraw/zinc/51/05/30/822510530.db2.gz TZVZWALWVRBLLQ-SFHVURJKSA-N 1 0 384.278 4.461 20 0 GIADRO O=C(Cc1cccc2cccnc21)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000046730085 822510855 /nfs/dbraw/zinc/51/08/55/822510855.db2.gz UMQPWQRCYSTJAI-UHFFFAOYSA-N 1 0 393.918 4.212 20 0 GIADRO CC(=O)c1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000183689595 822511893 /nfs/dbraw/zinc/51/18/93/822511893.db2.gz GGJFNYRNSHKPPP-HOTGVXAUSA-N 1 0 390.487 4.061 20 0 GIADRO CC(C)[NH+]1CCC(NC(=O)c2cc(C3CC3)nc3onc(CC(C)(C)C)c32)CC1 ZINC000046741953 822512021 /nfs/dbraw/zinc/51/20/21/822512021.db2.gz LASLPGLQXZWURQ-UHFFFAOYSA-N 1 0 398.551 4.291 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1nc(-c2ccco2)cs1)c1ccc(OC(F)F)cc1 ZINC000179609512 822512195 /nfs/dbraw/zinc/51/21/95/822512195.db2.gz WMEALXHHWKGEED-LLVKDONJSA-N 1 0 393.415 4.294 20 0 GIADRO CCC[N@H+](CC(=O)Nc1ccccc1C)Cc1ccc(Oc2cnccn2)cc1 ZINC000179610258 822512316 /nfs/dbraw/zinc/51/23/16/822512316.db2.gz IJMWJEVYLRWUMS-UHFFFAOYSA-N 1 0 390.487 4.428 20 0 GIADRO Cc1nn(-c2ccccc2)cc1NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000183697964 822513442 /nfs/dbraw/zinc/51/34/42/822513442.db2.gz FTIMZPGWEPFGMT-UHFFFAOYSA-N 1 0 389.503 4.098 20 0 GIADRO Brc1cncc(C[NH2+][C@H]2CCc3c2cccc3Br)c1 ZINC000183701608 822513815 /nfs/dbraw/zinc/51/38/15/822513815.db2.gz INLCKXCCQPCHAG-HNNXBMFYSA-N 1 0 382.099 4.384 20 0 GIADRO CCOc1c(Br)cc(C[N@H+](C)[C@@H](C)c2ccncc2)cc1OC ZINC000183704635 822514318 /nfs/dbraw/zinc/51/43/18/822514318.db2.gz MZKVKXXJHQVKED-ZDUSSCGKSA-N 1 0 379.298 4.444 20 0 GIADRO COC(=O)COc1ccccc1[C@H](C)[NH2+][C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000183706920 822514703 /nfs/dbraw/zinc/51/47/03/822514703.db2.gz PUGTXTYOZXFJTD-IRXDYDNUSA-N 1 0 393.487 4.144 20 0 GIADRO CCOc1c(Br)cc(C[N@H+](C)[C@@H](C)c2cccnc2)cc1OC ZINC000183717040 822515988 /nfs/dbraw/zinc/51/59/88/822515988.db2.gz OMSNCZYBPIYDAD-ZDUSSCGKSA-N 1 0 379.298 4.444 20 0 GIADRO Cc1sc([C@H](C)NC(=O)NC[C@H](C)[NH+](C)C)nc1-c1ccc(Cl)cc1 ZINC000454678776 822516203 /nfs/dbraw/zinc/51/62/03/822516203.db2.gz PKXKHKDVWLDRJU-RYUDHWBXSA-N 1 0 380.945 4.082 20 0 GIADRO CCOCc1cccc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)c1 ZINC000454683784 822516694 /nfs/dbraw/zinc/51/66/94/822516694.db2.gz ZNJAKPIPKBEYNC-IBGZPJMESA-N 1 0 381.520 4.209 20 0 GIADRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc(C2CC2)nc2onc(C(C)C)c21 ZINC000046781863 822516840 /nfs/dbraw/zinc/51/68/40/822516840.db2.gz NLULOIAMMYDYBC-HNNXBMFYSA-N 1 0 386.540 4.464 20 0 GIADRO CO[C@H](C)c1cccc(NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000454684605 822516913 /nfs/dbraw/zinc/51/69/13/822516913.db2.gz QLVZPYVRDOCSMX-CQSZACIVSA-N 1 0 387.446 4.275 20 0 GIADRO CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+][C@@H](C)c2cc3ccccc3o2)C1 ZINC000183724252 822517032 /nfs/dbraw/zinc/51/70/32/822517032.db2.gz FJAAAAHXLMOJCU-HNNXBMFYSA-N 1 0 387.476 4.135 20 0 GIADRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCc1cncc(Br)c1 ZINC000183733725 822518470 /nfs/dbraw/zinc/51/84/70/822518470.db2.gz GPQKZLNQXHWDFR-HZPDHXFCSA-N 1 0 388.353 4.090 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)Nc2cn(-c3ccccc3)nc2C)CC1 ZINC000183734133 822518613 /nfs/dbraw/zinc/51/86/13/822518613.db2.gz DPFWEHTZQNOPOM-UHFFFAOYSA-N 1 0 383.540 4.157 20 0 GIADRO CSCc1ccc(NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000454695974 822518735 /nfs/dbraw/zinc/51/87/35/822518735.db2.gz XFMFXVPFWZZUJV-UHFFFAOYSA-N 1 0 389.487 4.430 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(N2CCOC2=O)cc1)c1nc2ccc(Cl)cc2n1C ZINC000183735121 822518895 /nfs/dbraw/zinc/51/88/95/822518895.db2.gz KQBKIBKZTDMMHU-CYBMUJFWSA-N 1 0 384.867 4.034 20 0 GIADRO CC[C@H]([NH2+]Cc1ccc(N2CCOC2=O)cc1)c1ccccc1OC(F)F ZINC000183737603 822519394 /nfs/dbraw/zinc/51/93/94/822519394.db2.gz CKIGQVJFDWAEKH-KRWDZBQOSA-N 1 0 376.403 4.486 20 0 GIADRO COc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@@H](C)c2cccc(C)c2C)cc1OC ZINC000183739633 822519950 /nfs/dbraw/zinc/51/99/50/822519950.db2.gz QMLWXKCGVIBCNK-RXVVDRJESA-N 1 0 396.531 4.335 20 0 GIADRO CC[C@H]1C[C@H](C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)CCO1 ZINC000183740419 822520161 /nfs/dbraw/zinc/52/01/61/822520161.db2.gz MPMPKFWEYZPVBR-PKTZIBPZSA-N 1 0 386.580 4.043 20 0 GIADRO Cc1cc(C[NH+]2CCSCC2)ccc1NCc1cncc(Br)c1 ZINC000183742246 822520579 /nfs/dbraw/zinc/52/05/79/822520579.db2.gz LZVPTKVCIFJOPI-UHFFFAOYSA-N 1 0 392.366 4.313 20 0 GIADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CC3(CCC3)[C@H]2c2ccco2)CC1 ZINC000454706260 822520962 /nfs/dbraw/zinc/52/09/62/822520962.db2.gz CSLUTJIEFRVKMD-LAUBAEHRSA-N 1 0 394.519 4.137 20 0 GIADRO CCN(Cc1nnc(-c2ccccc2Cl)o1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000183752159 822522391 /nfs/dbraw/zinc/52/23/91/822522391.db2.gz MDBLTJAZZQHYFR-SFHVURJKSA-N 1 0 396.922 4.486 20 0 GIADRO Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000454720499 822523118 /nfs/dbraw/zinc/52/31/18/822523118.db2.gz QPQOOOYPDSWOKJ-ZWCUEREDSA-N 1 0 379.504 4.303 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+]CCc2cc(Cl)c3c(c2)OCCCO3)c1 ZINC000179666563 822523226 /nfs/dbraw/zinc/52/32/26/822523226.db2.gz JBXHJFFCLITWHD-AWEZNQCLSA-N 1 0 388.895 4.353 20 0 GIADRO CC(C)Oc1cccc([C@H](C)[NH2+]CC(=O)Nc2ccnn2Cc2cccs2)c1 ZINC000179668125 822523352 /nfs/dbraw/zinc/52/33/52/822523352.db2.gz HRXDSDGZBBHHMV-INIZCTEOSA-N 1 0 398.532 4.069 20 0 GIADRO O[C@@H](C[NH2+]Cc1cncc(Br)c1)c1ccc(-c2ccccc2)cc1 ZINC000183769461 822525919 /nfs/dbraw/zinc/52/59/19/822525919.db2.gz QVQBMSRJTOSLIF-FQEVSTJZSA-N 1 0 383.289 4.334 20 0 GIADRO C[C@H](CCNC(=O)Nc1c(F)cc(Br)cc1F)[NH+]1CCCCC1 ZINC000183772990 822526331 /nfs/dbraw/zinc/52/63/31/822526331.db2.gz FCKJRWORPWSXKR-LLVKDONJSA-N 1 0 390.272 4.113 20 0 GIADRO Cc1csc(CNC(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000454743358 822526647 /nfs/dbraw/zinc/52/66/47/822526647.db2.gz UNZMOQCYOHNULX-KDOFPFPSSA-N 1 0 395.931 4.341 20 0 GIADRO CCCN(CCc1cccs1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000183775637 822526758 /nfs/dbraw/zinc/52/67/58/822526758.db2.gz FBMSMUWABCGXOQ-GOSISDBHSA-N 1 0 375.538 4.142 20 0 GIADRO CC(C)Oc1ccc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(C(F)(F)F)c1 ZINC000454744215 822526945 /nfs/dbraw/zinc/52/69/45/822526945.db2.gz SCMLUPNWBQMQBS-AGUYFDCRSA-N 1 0 385.430 4.239 20 0 GIADRO C[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(F)cc2-c2nc3ccccc3s2)C1 ZINC000454747423 822527304 /nfs/dbraw/zinc/52/73/04/822527304.db2.gz WWKJLGOASBOBHW-CYBMUJFWSA-N 1 0 384.480 4.176 20 0 GIADRO CC[C@H]1CCCCN1C(=O)C[NH2+][C@H](C)c1cccc(OCc2ccccn2)c1 ZINC000179688064 822527829 /nfs/dbraw/zinc/52/78/29/822527829.db2.gz RSHNRNRLUSGBQI-NQIIRXRSSA-N 1 0 381.520 4.102 20 0 GIADRO CC(C)n1cc(C[NH+]2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)cn1 ZINC000179689905 822528061 /nfs/dbraw/zinc/52/80/61/822528061.db2.gz SJROLIXSQRXDFW-UHFFFAOYSA-N 1 0 378.879 4.107 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1cccc(F)c1)c1cccc(OCc2ccccn2)c1 ZINC000179691357 822528256 /nfs/dbraw/zinc/52/82/56/822528256.db2.gz JPILUOJGPPMRTA-INIZCTEOSA-N 1 0 379.435 4.089 20 0 GIADRO C[C@H](NC(=O)N(C)Cc1c(F)cccc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000454763691 822529771 /nfs/dbraw/zinc/52/97/71/822529771.db2.gz HGEQJNMVHVCZJB-FUHWJXTLSA-N 1 0 387.474 4.017 20 0 GIADRO CCCCNC(=O)C1CC[NH+](Cc2c(Cl)cccc2N2CCCC2)CC1 ZINC000179699250 822530158 /nfs/dbraw/zinc/53/01/58/822530158.db2.gz CTJAEPAMGGJAHW-UHFFFAOYSA-N 1 0 377.960 4.069 20 0 GIADRO C[C@@H](NC(=O)N1CCC(F)(Cc2ccc(Cl)cc2)CC1)C1=CC[N@H+](C)CC1 ZINC000454766277 822530128 /nfs/dbraw/zinc/53/01/28/822530128.db2.gz GPIRPVUNPFDWRE-MRXNPFEDSA-N 1 0 393.934 4.047 20 0 GIADRO COc1cc([C@H](C)[NH2+]C[C@H](O)c2ccc(F)cc2)ccc1OCc1ccncc1 ZINC000179702819 822530786 /nfs/dbraw/zinc/53/07/86/822530786.db2.gz URZFQPCAVMXKOH-KKSFZXQISA-N 1 0 396.462 4.193 20 0 GIADRO Cc1cc([C@@H](C)[NH2+]CC(=O)NCc2cccc(COCc3ccco3)c2)c(C)o1 ZINC000183811801 822530899 /nfs/dbraw/zinc/53/08/99/822530899.db2.gz DHCVHUPMKJYHIZ-QGZVFWFLSA-N 1 0 396.487 4.173 20 0 GIADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)Nc3ccc(C(F)(F)F)cc3Cl)C2)C1 ZINC000454775686 822531770 /nfs/dbraw/zinc/53/17/70/822531770.db2.gz QVMGTQZCSVVGEW-MRXNPFEDSA-N 1 0 375.822 4.308 20 0 GIADRO COc1ccc(C[N@@H+]2CCC[C@H]2c2cccn2C)cc1OCc1cccnc1 ZINC000179708249 822532223 /nfs/dbraw/zinc/53/22/23/822532223.db2.gz UXXNVFCVJSYWIV-NRFANRHFSA-N 1 0 377.488 4.345 20 0 GIADRO COc1ccc(C[NH2+]Cc2cc3cc(Br)ccc3[nH]2)cc1OC ZINC000183824139 822532678 /nfs/dbraw/zinc/53/26/78/822532678.db2.gz ZJSDLMMWAMXYRN-UHFFFAOYSA-N 1 0 375.266 4.237 20 0 GIADRO CC(C)(C)OC(=O)N[C@@H](C[NH2+][C@@H](c1ccccc1)c1ccc(F)cn1)C1CC1 ZINC000183827623 822533134 /nfs/dbraw/zinc/53/31/34/822533134.db2.gz RHAOGXUYYCSJPX-PMACEKPBSA-N 1 0 385.483 4.203 20 0 GIADRO Cc1noc(C)c1COc1cccc(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)c1 ZINC000046948981 822533550 /nfs/dbraw/zinc/53/35/50/822533550.db2.gz GAMDASGOLRGVTN-JOCHJYFZSA-N 1 0 399.535 4.111 20 0 GIADRO Cc1noc(C)c1COc1ccccc1C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000046948813 822533558 /nfs/dbraw/zinc/53/35/58/822533558.db2.gz IOSAWKHKYDTGDQ-OAQYLSRUSA-N 1 0 399.535 4.111 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1cccc(OC)c1OC(F)F)c1ccsc1 ZINC000046945779 822533575 /nfs/dbraw/zinc/53/35/75/822533575.db2.gz VKOVMXNYSIEKSN-OAHLLOKOSA-N 1 0 398.475 4.171 20 0 GIADRO CC[C@@H]([NH2+][C@H](C)C(=O)NCCc1cccs1)c1ccccc1OC(F)F ZINC000179717839 822534335 /nfs/dbraw/zinc/53/43/35/822534335.db2.gz IMIGHAWKLRDBJM-CZUORRHYSA-N 1 0 382.476 4.138 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccnn1C(C)C)c1ccccc1OC(F)F ZINC000179719476 822534778 /nfs/dbraw/zinc/53/47/78/822534778.db2.gz DQQWSVSCURANJP-ZFWWWQNUSA-N 1 0 380.439 4.133 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1cc(=O)c2ccccc2o1 ZINC000046980578 822534828 /nfs/dbraw/zinc/53/48/28/822534828.db2.gz CLSNHYBHGHTSPC-QGZVFWFLSA-N 1 0 390.483 4.097 20 0 GIADRO COc1ccc(F)cc1[C@@H](C)NC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000046985719 822535639 /nfs/dbraw/zinc/53/56/39/822535639.db2.gz LBDKHZHFUDWQKP-QGZVFWFLSA-N 1 0 391.531 4.193 20 0 GIADRO CC[C@H]([NH2+]C[C@@H]1CN(c2ccccc2)C(=O)O1)c1ccccc1OC(F)F ZINC000179725077 822535708 /nfs/dbraw/zinc/53/57/08/822535708.db2.gz VEIZOCRYUUMUPY-WBVHZDCISA-N 1 0 376.403 4.354 20 0 GIADRO Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000046996696 822536541 /nfs/dbraw/zinc/53/65/41/822536541.db2.gz FCDKRCDSEGUMDA-JKSUJKDBSA-N 1 0 375.925 4.129 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)Cc2ccc(Br)cc2)o1 ZINC000047037455 822538946 /nfs/dbraw/zinc/53/89/46/822538946.db2.gz QYYLVFIIOKREOE-AWEZNQCLSA-N 1 0 393.325 4.245 20 0 GIADRO Cc1ccc(NC(=O)NCc2ccc(C(F)F)cc2)c(OCC[NH+](C)C)c1 ZINC000183875919 822539411 /nfs/dbraw/zinc/53/94/11/822539411.db2.gz XTPNHTHUVGJLOP-UHFFFAOYSA-N 1 0 377.435 4.195 20 0 GIADRO C[C@@H]1CCN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)[C@H]1c1cccc(F)c1 ZINC000179744979 822541409 /nfs/dbraw/zinc/54/14/09/822541409.db2.gz ZVOBZTQKCACUTC-VGOFRKELSA-N 1 0 396.510 4.230 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000179744346 822541481 /nfs/dbraw/zinc/54/14/81/822541481.db2.gz BKBYWBYBULQGJK-UHFFFAOYSA-N 1 0 398.938 4.326 20 0 GIADRO O=C(NCc1ccccc1)C1CC[NH+](Cc2cnc(-c3cccs3)s2)CC1 ZINC000179749466 822542273 /nfs/dbraw/zinc/54/22/73/822542273.db2.gz WLCNQUXARZKVND-UHFFFAOYSA-N 1 0 397.569 4.400 20 0 GIADRO O=C(NCc1ccccc1)C1CC[NH+](Cc2ccc(CSC(F)F)o2)CC1 ZINC000179749859 822542437 /nfs/dbraw/zinc/54/24/37/822542437.db2.gz NMHUHHRGDXOIAD-UHFFFAOYSA-N 1 0 394.487 4.264 20 0 GIADRO O=C(c1cccc(Br)c1Cl)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000183903723 822543567 /nfs/dbraw/zinc/54/35/67/822543567.db2.gz DMGJRCISTBNWGC-UHFFFAOYSA-N 1 0 385.733 4.193 20 0 GIADRO Brc1ccc([C@H]([NH2+]CCCOC2CCOCC2)c2ccco2)cc1 ZINC000183905103 822543894 /nfs/dbraw/zinc/54/38/94/822543894.db2.gz NOENBGQOCVUIJK-IBGZPJMESA-N 1 0 394.309 4.307 20 0 GIADRO COc1ccccc1COC1CC[NH+](Cc2cc(=O)oc3cc(C)ccc23)CC1 ZINC000179755790 822543992 /nfs/dbraw/zinc/54/39/92/822543992.db2.gz YMCGKLHMOFYXBF-UHFFFAOYSA-N 1 0 393.483 4.291 20 0 GIADRO Cc1c(C(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)[nH]c2c1C(=O)CCC2 ZINC000047109770 822545032 /nfs/dbraw/zinc/54/50/32/822545032.db2.gz ICFCZUXDHQXEGT-INIZCTEOSA-N 1 0 393.531 4.004 20 0 GIADRO Cc1ccc(NC(=O)N2CC3(CCC3)[C@@H]2c2ccco2)c(OCC[NH+](C)C)c1 ZINC000454847116 822545108 /nfs/dbraw/zinc/54/51/08/822545108.db2.gz XOSZIPJEFSIDRP-FQEVSTJZSA-N 1 0 383.492 4.288 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(F)c(Cl)c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000179760177 822545149 /nfs/dbraw/zinc/54/51/49/822545149.db2.gz VFRYPPVSDZYMKD-GFCCVEGCSA-N 1 0 389.858 4.117 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)N[C@H](c2ncc(C)s2)C2CC2)CC1 ZINC000183914882 822545328 /nfs/dbraw/zinc/54/53/28/822545328.db2.gz HYUUITDGMNLMGE-IBGZPJMESA-N 1 0 392.613 4.446 20 0 GIADRO CC[C@H]1C[N@H+](CC)CCN1C(=O)Nc1ccc(COCc2ccccc2)cc1 ZINC000454850662 822545476 /nfs/dbraw/zinc/54/54/76/822545476.db2.gz BEOFFJSLXYXDFL-QFIPXVFZSA-N 1 0 381.520 4.351 20 0 GIADRO Brc1ccc([C@H]([NH2+][C@@H]2CCN(c3ccccn3)C2)c2ccco2)cc1 ZINC000183918129 822546191 /nfs/dbraw/zinc/54/61/91/822546191.db2.gz QFVBDRNWAQIXDG-XLIONFOSSA-N 1 0 398.304 4.395 20 0 GIADRO C[N@H+](Cc1c[nH]nc1-c1cccc(Cl)c1)Cc1ccccc1N1CCOCC1 ZINC000179762689 822546307 /nfs/dbraw/zinc/54/63/07/822546307.db2.gz IBFLFLJXQRQRBP-UHFFFAOYSA-N 1 0 396.922 4.199 20 0 GIADRO Cc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1Cl ZINC000179765860 822547467 /nfs/dbraw/zinc/54/74/67/822547467.db2.gz XOJDWKMWARMKOQ-AWEZNQCLSA-N 1 0 385.895 4.286 20 0 GIADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)Nc3ccc(OC4CCCC4)c(F)c3)C2)C1 ZINC000454868274 822548720 /nfs/dbraw/zinc/54/87/20/822548720.db2.gz KKOLTLILEXGOBS-NRFANRHFSA-N 1 0 375.488 4.097 20 0 GIADRO CSc1ccc([C@H](CNC(=O)Nc2c(F)cc(F)cc2F)[NH+](C)C)cc1 ZINC000454880338 822550325 /nfs/dbraw/zinc/55/03/25/822550325.db2.gz ANKVDGMRYCHKOQ-INIZCTEOSA-N 1 0 383.439 4.250 20 0 GIADRO CC[C@H](Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)c1cc(C)ccc1OC ZINC000179776188 822550618 /nfs/dbraw/zinc/55/06/18/822550618.db2.gz OIGYQYXRBQHWBU-QFIPXVFZSA-N 1 0 395.547 4.264 20 0 GIADRO Cc1cc(Br)ccc1C[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000179781096 822551699 /nfs/dbraw/zinc/55/16/99/822551699.db2.gz GHAPFJRRMSJLOB-MRXNPFEDSA-N 1 0 385.309 4.180 20 0 GIADRO CCOCc1ccc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)cc1 ZINC000454892458 822551829 /nfs/dbraw/zinc/55/18/29/822551829.db2.gz UITCDEVMQSDRCR-IBGZPJMESA-N 1 0 381.520 4.209 20 0 GIADRO COC1CCN(c2ccc(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2C(F)(F)F)CC1 ZINC000179782551 822551925 /nfs/dbraw/zinc/55/19/25/822551925.db2.gz BLIRMBJEUHBUJV-DLBZAZTESA-N 1 0 397.485 4.359 20 0 GIADRO C[C@H]1CCC[N@H+](CCCCNC(=O)CSc2nc3ccccc3s2)C1 ZINC000047213959 822554895 /nfs/dbraw/zinc/55/48/95/822554895.db2.gz SMYGYGFMPLOIOC-HNNXBMFYSA-N 1 0 377.579 4.017 20 0 GIADRO Cc1cccc([C@H](C)NC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c1 ZINC000454917077 822556361 /nfs/dbraw/zinc/55/63/61/822556361.db2.gz YFCPDJUJSSOFSE-NNGSBXSVSA-N 1 0 383.458 4.161 20 0 GIADRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@@H]1CCCC1(F)F ZINC000454920554 822557054 /nfs/dbraw/zinc/55/70/54/822557054.db2.gz KUPLTTWDODHRRY-ZWKOTPCHSA-N 1 0 379.495 4.022 20 0 GIADRO C[C@H]1CCCc2ccccc2[C@@H]1NC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000183986806 822558420 /nfs/dbraw/zinc/55/84/20/822558420.db2.gz QQNZAKSNTWSMDH-FDDCHVKYSA-N 1 0 392.547 4.059 20 0 GIADRO C[N@H+](Cc1ccccc1CNC(=O)c1cncnc1C1CC1)C1CCCCC1 ZINC000454941450 822560627 /nfs/dbraw/zinc/56/06/27/822560627.db2.gz IZFURXKOMPOCJF-UHFFFAOYSA-N 1 0 378.520 4.049 20 0 GIADRO CC[NH+](CC)CCOc1cc(NC(=O)N2CCC[C@@H](C)[C@@H]2C)ccc1OC ZINC000179831948 822562221 /nfs/dbraw/zinc/56/22/21/822562221.db2.gz AIKJNBORBOHSHB-SJORKVTESA-N 1 0 377.529 4.068 20 0 GIADRO Cc1nc(COc2ccc(N[C@H](C)c3cccc(OCC[NH+](C)C)c3)cc2)no1 ZINC000179832219 822562251 /nfs/dbraw/zinc/56/22/51/822562251.db2.gz HYAWWIXKPJKQFF-MRXNPFEDSA-N 1 0 396.491 4.071 20 0 GIADRO CSc1ccc([C@@H](CNC(=O)Nc2cccc(OCCF)c2)[NH+](C)C)cc1 ZINC000454950757 822562327 /nfs/dbraw/zinc/56/23/27/822562327.db2.gz BQEJCXYJDPTDMN-LJQANCHMSA-N 1 0 391.512 4.181 20 0 GIADRO C[C@H](OCCCNC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000047304926 822563813 /nfs/dbraw/zinc/56/38/13/822563813.db2.gz FZFJZWWSTNRJLK-FQEVSTJZSA-N 1 0 380.532 4.183 20 0 GIADRO CCOCc1cc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)ccc1OC ZINC000179840308 822564129 /nfs/dbraw/zinc/56/41/29/822564129.db2.gz STEYEABHHFWUHG-LJQANCHMSA-N 1 0 382.504 4.082 20 0 GIADRO Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+]Cc1c(C)nn(CC(=O)OC(C)C)c1C ZINC000179843110 822564784 /nfs/dbraw/zinc/56/47/84/822564784.db2.gz XYYMIRIGWXMMPL-IBGZPJMESA-N 1 0 387.524 4.156 20 0 GIADRO C[NH+](C)C1CCN(C(=O)c2ccc(-c3cccc(OC(F)(F)F)c3)s2)CC1 ZINC000179844748 822565148 /nfs/dbraw/zinc/56/51/48/822565148.db2.gz NPOYIUVXHABTLJ-UHFFFAOYSA-N 1 0 398.450 4.480 20 0 GIADRO Cc1ccc(NC(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)c(C)c1 ZINC000047322326 822565470 /nfs/dbraw/zinc/56/54/70/822565470.db2.gz CRAGIDKCSPTBCP-UHFFFAOYSA-N 1 0 380.536 4.027 20 0 GIADRO CC[NH+](CC)CCOc1ccc(CNC(=O)Nc2ccc(C)cc2)cc1OC ZINC000047323756 822565863 /nfs/dbraw/zinc/56/58/63/822565863.db2.gz FHWTZCMSFCSMLJ-UHFFFAOYSA-N 1 0 385.508 4.046 20 0 GIADRO C[C@@H]([NH2+]Cc1csc(-c2ccc(Br)cc2)n1)C1CCOCC1 ZINC000179875612 822569501 /nfs/dbraw/zinc/56/95/01/822569501.db2.gz RJIXHWCTXYWSBC-GFCCVEGCSA-N 1 0 381.339 4.477 20 0 GIADRO O=C(Nc1ccccc1N1CCCC1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000047365741 822571000 /nfs/dbraw/zinc/57/10/00/822571000.db2.gz NYWZTMMALNHPJT-UHFFFAOYSA-N 1 0 396.510 4.212 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CCC[C@@H]1C1CCCCC1 ZINC000047366981 822571165 /nfs/dbraw/zinc/57/11/65/822571165.db2.gz BUQLHKHQJXRRRH-JOCHJYFZSA-N 1 0 384.568 4.323 20 0 GIADRO O=C(Nc1ccc(OCC(F)(F)F)cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000047396903 822574926 /nfs/dbraw/zinc/57/49/26/822574926.db2.gz KLBHFZIBBWSWEY-UHFFFAOYSA-N 1 0 385.430 4.110 20 0 GIADRO Cc1cn(-c2ccccc2Cl)nc1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000179908003 822574991 /nfs/dbraw/zinc/57/49/91/822574991.db2.gz LKHKRULJARKZQB-GHTZIAJQSA-N 1 0 394.906 4.009 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2ncccc2C(F)(F)F)C1 ZINC000179910313 822575200 /nfs/dbraw/zinc/57/52/00/822575200.db2.gz WUKBMBOGNWAZCK-HNNXBMFYSA-N 1 0 391.437 4.262 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(-c3nc4ccccc4s3)o2)CC1)C1CC1 ZINC000179909656 822575228 /nfs/dbraw/zinc/57/52/28/822575228.db2.gz XUAGVCKKZDPNHX-UHFFFAOYSA-N 1 0 381.501 4.047 20 0 GIADRO COc1cc(C(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)cc(OC)c1OC ZINC000047402058 822575598 /nfs/dbraw/zinc/57/55/98/822575598.db2.gz CQWWUYPXMNYGNI-UHFFFAOYSA-N 1 0 398.503 4.197 20 0 GIADRO Cc1ccc(COc2ccc(C[NH+]3CCC(NC(=O)C4CC4)CC3)cc2)cc1 ZINC000179916140 822576492 /nfs/dbraw/zinc/57/64/92/822576492.db2.gz GKBAGQFVVYOQIC-UHFFFAOYSA-N 1 0 378.516 4.065 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CCCc2nc(-c3ccc(F)cc3)no2)cc1OC ZINC000184092634 822576748 /nfs/dbraw/zinc/57/67/48/822576748.db2.gz SCPWUJGIUAJMFH-AWEZNQCLSA-N 1 0 385.439 4.176 20 0 GIADRO CC[NH+](CC)CCOc1ccc(NC(=O)c2ncccc2C(F)(F)F)cc1 ZINC000179919004 822577007 /nfs/dbraw/zinc/57/70/07/822577007.db2.gz LYAJEIRHUXCVQY-UHFFFAOYSA-N 1 0 381.398 4.073 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)c2cc(-c3cccs3)on2)CC1 ZINC000184102295 822578260 /nfs/dbraw/zinc/57/82/60/822578260.db2.gz HCDWQKXDCMXPCY-UHFFFAOYSA-N 1 0 375.538 4.377 20 0 GIADRO CCCN(CCc1cccs1)C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000184106952 822579135 /nfs/dbraw/zinc/57/91/35/822579135.db2.gz QHKKYFSGXNTWFL-UHFFFAOYSA-N 1 0 377.598 4.367 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1F ZINC000455049537 822580282 /nfs/dbraw/zinc/58/02/82/822580282.db2.gz MLAFICYSDXNNIT-UHFFFAOYSA-N 1 0 381.492 4.023 20 0 GIADRO CO[C@@H]1CCN(C(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)CC1(C)C ZINC000455050022 822580563 /nfs/dbraw/zinc/58/05/63/822580563.db2.gz CTNRVBXWHVWPRN-OAQYLSRUSA-N 1 0 387.568 4.240 20 0 GIADRO Cc1ccc(C(=O)CCCC(=O)Nc2ccc(C)cc2OCC[NH+](C)C)cc1 ZINC000184115773 822580604 /nfs/dbraw/zinc/58/06/04/822580604.db2.gz JDZLOLQLOZCSDL-UHFFFAOYSA-N 1 0 382.504 4.236 20 0 GIADRO Cc1noc([C@H]2CCC[N@H+](Cc3ccc(Br)c4cccnc34)C2)n1 ZINC000179941032 822581453 /nfs/dbraw/zinc/58/14/53/822581453.db2.gz SHUGSSWFEGPMAJ-AWEZNQCLSA-N 1 0 387.281 4.068 20 0 GIADRO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(OC)c3ccccc32)cc1 ZINC000179941236 822581642 /nfs/dbraw/zinc/58/16/42/822581642.db2.gz RRGZKHOYHDOHNA-INIZCTEOSA-N 1 0 383.513 4.493 20 0 GIADRO CC[C@H]([NH2+]Cc1ccc(S(=O)(=O)CC)cc1)c1ccccc1OC(F)F ZINC000179942316 822582056 /nfs/dbraw/zinc/58/20/56/822582056.db2.gz SIJSKXXECBGORC-KRWDZBQOSA-N 1 0 383.460 4.323 20 0 GIADRO C[C@H](Nc1ccc(N2CCOC[C@@H]2C)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000179944024 822582493 /nfs/dbraw/zinc/58/24/93/822582493.db2.gz PPUWKDPRRVZPPT-OALUTQOASA-N 1 0 383.536 4.025 20 0 GIADRO CSc1ccc([C@@H](CNC(=O)Nc2cccc(N(C)C)c2C)[NH+](C)C)cc1 ZINC000455071127 822584611 /nfs/dbraw/zinc/58/46/11/822584611.db2.gz IYOYIMOGNQTIPU-HXUWFJFHSA-N 1 0 386.565 4.207 20 0 GIADRO Cn1cc([C@@H](NC[C@H](c2ccccc2)[NH+]2CCCC2)c2cccc(F)c2)cn1 ZINC000179960877 822586083 /nfs/dbraw/zinc/58/60/83/822586083.db2.gz ZZTFMCQFYDUIAO-PKTZIBPZSA-N 1 0 378.495 4.075 20 0 GIADRO Cn1cc([C@H](NC[C@H](c2ccccc2)[NH+]2CCCC2)c2cccc(F)c2)cn1 ZINC000179960861 822586092 /nfs/dbraw/zinc/58/60/92/822586092.db2.gz ZZTFMCQFYDUIAO-DHIUTWEWSA-N 1 0 378.495 4.075 20 0 GIADRO O=C1Nc2ccccc2C12CCC([NH2+][C@H]1CCCOc3cc(F)ccc31)CC2 ZINC000179961640 822586255 /nfs/dbraw/zinc/58/62/55/822586255.db2.gz VXDPKYFCYUHGLO-DWVUQKNYSA-N 1 0 380.463 4.462 20 0 GIADRO Clc1ccccc1[C@@H]([NH2+]CCCn1ccnc1)c1ccc2c(c1)OCCO2 ZINC000179963628 822586701 /nfs/dbraw/zinc/58/67/01/822586701.db2.gz IUJKCCGFLQAMAY-NRFANRHFSA-N 1 0 383.879 4.077 20 0 GIADRO C[C@@H]([NH2+]Cc1cc(=O)n2ccccc2n1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000179966247 822587096 /nfs/dbraw/zinc/58/70/96/822587096.db2.gz IEXHRGZHDQUMSI-MRXNPFEDSA-N 1 0 389.430 4.477 20 0 GIADRO COc1ccc(C[N@H+](C)Cc2ccc(Br)c3cccnc23)cc1O ZINC000179974015 822588567 /nfs/dbraw/zinc/58/85/67/822588567.db2.gz SBNKHTMQJOEOHH-UHFFFAOYSA-N 1 0 387.277 4.344 20 0 GIADRO Cc1nc2c(s1)[C@H]([NH2+][C@@H]1CCN(c3ccc(F)c(Cl)c3)C1=O)CCC2 ZINC000179975192 822588740 /nfs/dbraw/zinc/58/87/40/822588740.db2.gz XQKKXAWZIIHKFR-HZPDHXFCSA-N 1 0 379.888 4.017 20 0 GIADRO Cc1ccc(NC(=O)C(C)C)cc1NC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000047544782 822589131 /nfs/dbraw/zinc/58/91/31/822589131.db2.gz RJCSQGOCLGGNSB-UHFFFAOYSA-N 1 0 386.540 4.072 20 0 GIADRO C[C@@H](NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccc(F)cc1Cl ZINC000455107017 822589884 /nfs/dbraw/zinc/58/98/84/822589884.db2.gz FEHBIHPEDKMBBH-BIENJYKASA-N 1 0 379.907 4.198 20 0 GIADRO Cc1cccc(-c2n[nH]cc2C[NH2+]CCCc2nc(-c3ccc(F)cc3)no2)c1 ZINC000184169299 822589958 /nfs/dbraw/zinc/58/99/58/822589958.db2.gz CEUWCERUECCYDU-UHFFFAOYSA-N 1 0 391.450 4.297 20 0 GIADRO C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]CCCc2nc(-c3ccc(F)cc3)no2)C1 ZINC000184174208 822590752 /nfs/dbraw/zinc/59/07/52/822590752.db2.gz YOQAKMNGQZCKEO-UWJYYQICSA-N 1 0 394.494 4.233 20 0 GIADRO Cc1ncc(C[NH2+]CCCc2nc(-c3ccc(F)cc3)no2)n1-c1ccccc1 ZINC000184174885 822590807 /nfs/dbraw/zinc/59/08/07/822590807.db2.gz IJCQYKCHVMKXKF-UHFFFAOYSA-N 1 0 391.450 4.092 20 0 GIADRO Cc1cccc(COc2ccc([C@H](C)[NH2+]C[C@H]3COC4(CCOCC4)O3)cc2)c1 ZINC000179986684 822591217 /nfs/dbraw/zinc/59/12/17/822591217.db2.gz KJRXGQKKMSBPEO-CVDCTZTESA-N 1 0 397.515 4.147 20 0 GIADRO Cc1cccc(C)c1NC(=S)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000047567389 822591445 /nfs/dbraw/zinc/59/14/45/822591445.db2.gz LIIVCWUGINLLJK-KDURUIRLSA-N 1 0 397.588 4.399 20 0 GIADRO Cc1cccc([C@@H](NC(=O)NCCCCC[NH+]2CCCC2)c2ccccn2)c1 ZINC000455118523 822591482 /nfs/dbraw/zinc/59/14/82/822591482.db2.gz PHWPVTYPWZXHJP-JOCHJYFZSA-N 1 0 380.536 4.045 20 0 GIADRO C[C@@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1ccc(Cl)c(Cl)c1Cl ZINC000179988335 822591524 /nfs/dbraw/zinc/59/15/24/822591524.db2.gz KOFNHYLGCMIGAZ-GHMZBOCLSA-N 1 0 380.699 4.220 20 0 GIADRO Cc1ccc([C@@H](Cc2ccccc2)[NH2+]C[C@@H]2COC3(CCOCC3)O2)cc1C ZINC000179990604 822591790 /nfs/dbraw/zinc/59/17/90/822591790.db2.gz GSHJKCQCOHSTEY-DHIUTWEWSA-N 1 0 381.516 4.099 20 0 GIADRO CC1CCC(OC2CCN(C(=O)NCCCCC[NH+]3CCCC3)CC2)CC1 ZINC000455123136 822592364 /nfs/dbraw/zinc/59/23/64/822592364.db2.gz YVVBUWIGGDHHPH-UHFFFAOYSA-N 1 0 379.589 4.022 20 0 GIADRO COc1ccc(NC(=O)NCCCC[NH+]2CCC(C)CC2)cc1OC(C)C ZINC000184190274 822593586 /nfs/dbraw/zinc/59/35/86/822593586.db2.gz MKXOJGCDQFLTMI-UHFFFAOYSA-N 1 0 377.529 4.116 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)c1ccc(-c2nc[nH]n2)cc1)C1CCCCC1 ZINC000184193269 822594024 /nfs/dbraw/zinc/59/40/24/822594024.db2.gz PXQDXSZQFNLBDC-UHFFFAOYSA-N 1 0 389.503 4.489 20 0 GIADRO O=C(Nc1cccc(OCc2cccnc2)c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000047585801 822594069 /nfs/dbraw/zinc/59/40/69/822594069.db2.gz TXPKBCPPIUZOGS-UHFFFAOYSA-N 1 0 394.519 4.143 20 0 GIADRO Brc1cccc2c1CC[C@@H]2[NH2+]Cc1ccc(Cn2ccnc2)cc1 ZINC000180011581 822596188 /nfs/dbraw/zinc/59/61/88/822596188.db2.gz AFUQQKUAKXPNQL-FQEVSTJZSA-N 1 0 382.305 4.471 20 0 GIADRO CCOc1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(OCC)c(OC)c1 ZINC000047609038 822596308 /nfs/dbraw/zinc/59/63/08/822596308.db2.gz PVNKCUWBEXAFFT-HZPDHXFCSA-N 1 0 386.492 4.170 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(F)cc2F)cc1OC ZINC000047609153 822596515 /nfs/dbraw/zinc/59/65/15/822596515.db2.gz XAKZVEZAMLOFOJ-CHWSQXEVSA-N 1 0 378.419 4.050 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2c(F)cccc2F)cc1OC ZINC000047609058 822596523 /nfs/dbraw/zinc/59/65/23/822596523.db2.gz PVUAWVOGQOHJML-OLZOCXBDSA-N 1 0 378.419 4.050 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2c(F)cccc2F)cc1OC ZINC000047609060 822596542 /nfs/dbraw/zinc/59/65/42/822596542.db2.gz PVUAWVOGQOHJML-STQMWFEESA-N 1 0 378.419 4.050 20 0 GIADRO CCc1nn(C)cc1C[N@@H+]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000180014276 822596802 /nfs/dbraw/zinc/59/68/02/822596802.db2.gz QFNUQYFQCKDMBZ-HNNXBMFYSA-N 1 0 385.899 4.066 20 0 GIADRO C[NH+]1CCC(NC(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)CC1 ZINC000047615616 822597221 /nfs/dbraw/zinc/59/72/21/822597221.db2.gz HTUQNHKCACRJNG-UHFFFAOYSA-N 1 0 378.394 4.322 20 0 GIADRO CC(C)CS(=O)(=O)N1CCC([NH2+][C@@H](c2cccs2)C2CCCC2)CC1 ZINC000180016774 822597261 /nfs/dbraw/zinc/59/72/61/822597261.db2.gz XQZQGKMONYCCBE-LJQANCHMSA-N 1 0 384.611 4.019 20 0 GIADRO CNC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@H](c2ccc(Cl)cc2)[C@H]2C[C@H]2C)c1 ZINC000180016833 822597282 /nfs/dbraw/zinc/59/72/82/822597282.db2.gz PFDNBECUPNANIZ-BBNYVJOESA-N 1 0 399.922 4.014 20 0 GIADRO CC(C)CS(=O)(=O)N1CCC([NH2+][C@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000180019560 822597836 /nfs/dbraw/zinc/59/78/36/822597836.db2.gz WCDQGQVKHHLPHM-CYBMUJFWSA-N 1 0 393.380 4.094 20 0 GIADRO Cc1ccc(N2CCOC2=O)cc1N[C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000180021502 822598298 /nfs/dbraw/zinc/59/82/98/822598298.db2.gz NXIARDDUBVPRFU-QGZVFWFLSA-N 1 0 383.492 4.065 20 0 GIADRO CC(C)CS(=O)(=O)N1CCC([NH2+][C@H](C)c2cccc(Cl)c2Cl)CC1 ZINC000180023046 822598732 /nfs/dbraw/zinc/59/87/32/822598732.db2.gz ZNSQFFYVRFRINZ-CYBMUJFWSA-N 1 0 393.380 4.094 20 0 GIADRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3ccc(C(=O)OC(C)C)cc3)ccc2NC1=O ZINC000180025143 822599353 /nfs/dbraw/zinc/59/93/53/822599353.db2.gz PLPDYAZANQGYCD-QRWLVFNGSA-N 1 0 396.487 4.212 20 0 GIADRO CC(C)CS(=O)(=O)N1CCC([NH2+][C@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000180024680 822599442 /nfs/dbraw/zinc/59/94/42/822599442.db2.gz MQGYYKVHELQBPJ-CYBMUJFWSA-N 1 0 393.380 4.094 20 0 GIADRO CN(CCC[NH+](C)C)C(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl ZINC000184230357 822599827 /nfs/dbraw/zinc/59/98/27/822599827.db2.gz VDICTMMGGYXITH-CYBMUJFWSA-N 1 0 390.380 4.388 20 0 GIADRO CN(CCC[NH+](C)C)C(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl ZINC000184230307 822599869 /nfs/dbraw/zinc/59/98/69/822599869.db2.gz VDICTMMGGYXITH-ZDUSSCGKSA-N 1 0 390.380 4.388 20 0 GIADRO CN(C)C(=O)COc1cccc(C[NH2+][C@@H](c2ccccc2F)C2CCCC2)c1 ZINC000180026712 822599868 /nfs/dbraw/zinc/59/98/68/822599868.db2.gz UPZFFIUUSNHBHB-HSZRJFAPSA-N 1 0 384.495 4.314 20 0 GIADRO C[C@@H]1C[C@@H]1[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(Cl)cc1 ZINC000180028006 822600285 /nfs/dbraw/zinc/60/02/85/822600285.db2.gz SRPWIIGNEYPHCM-VOBQZIQPSA-N 1 0 392.952 4.077 20 0 GIADRO CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2cnn(-c3ccccc3)c2)cc1 ZINC000047723733 822604155 /nfs/dbraw/zinc/60/41/55/822604155.db2.gz PQORKNFELNIGGM-QGZVFWFLSA-N 1 0 377.492 4.253 20 0 GIADRO COc1cc2c(cc1C[NH2+][C@H](C)c1ccc(NC(=O)NC(C)C)cc1)O[C@H](C)C2 ZINC000047723802 822604173 /nfs/dbraw/zinc/60/41/73/822604173.db2.gz FVSMKXBGGBHINX-HZPDHXFCSA-N 1 0 397.519 4.399 20 0 GIADRO C[C@H](CCCc1ccccc1)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000180051149 822604592 /nfs/dbraw/zinc/60/45/92/822604592.db2.gz KOOBSRFYNAVJIJ-GOSISDBHSA-N 1 0 381.520 4.174 20 0 GIADRO CN(Cc1nnc(-c2ccccc2)s1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000184260012 822604945 /nfs/dbraw/zinc/60/49/45/822604945.db2.gz IKXOWLCETJFGJQ-UHFFFAOYSA-N 1 0 378.545 4.302 20 0 GIADRO O[C@H](C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1)COCc1cccs1 ZINC000180054759 822605243 /nfs/dbraw/zinc/60/52/43/822605243.db2.gz PWSBEEWTMZBIMG-SJLPKXTDSA-N 1 0 385.451 4.385 20 0 GIADRO C[N@@H+]1CC[C@H](NC(=O)c2cccc(Br)c2Cl)[C@@H]1c1ccccc1 ZINC000180056627 822605637 /nfs/dbraw/zinc/60/56/37/822605637.db2.gz PMNYDWMQSZSWLD-RDJZCZTQSA-N 1 0 393.712 4.278 20 0 GIADRO Cc1ccccc1OCCCC(=O)Nc1ccc(C[NH2+]Cc2ccncc2)cc1 ZINC000047747127 822605669 /nfs/dbraw/zinc/60/56/69/822605669.db2.gz REIQLKOQSNSNSA-UHFFFAOYSA-N 1 0 389.499 4.478 20 0 GIADRO Cc1cc([C@@H](C)[NH2+]C2CCN(C(=O)c3ccco3)CC2)ccc1Br ZINC000180060277 822606207 /nfs/dbraw/zinc/60/62/07/822606207.db2.gz IUYVACLIVWROPJ-CQSZACIVSA-N 1 0 391.309 4.306 20 0 GIADRO CSc1ccc([C@H](CNC(=O)Nc2ccnn2[C@H](C)C2CC2)[NH+](C)C)cc1 ZINC000455200092 822606975 /nfs/dbraw/zinc/60/69/75/822606975.db2.gz WBGXGNGYDJOHDV-KDOFPFPSSA-N 1 0 387.553 4.000 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1nnc(-c2ccco2)s1)c1ccsc1 ZINC000047784894 822609065 /nfs/dbraw/zinc/60/90/65/822609065.db2.gz DXTVDMLIEQGKCW-ZDUSSCGKSA-N 1 0 391.522 4.064 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCCC1)Nc1nnc(-c2ccco2)s1 ZINC000047784288 822609155 /nfs/dbraw/zinc/60/91/55/822609155.db2.gz ULWJQZFGJRINDG-UHFFFAOYSA-N 1 0 397.504 4.106 20 0 GIADRO C[C@@H]([NH2+][C@H](c1ccc(F)cc1)C1CCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000180071021 822609408 /nfs/dbraw/zinc/60/94/08/822609408.db2.gz NJNPGNBRTILWPH-VLIAUNLRSA-N 1 0 376.497 4.055 20 0 GIADRO CC(C)Oc1ccc([C@H](C)NC(=O)Nc2ccccc2N2CC[NH+](C)CC2)cc1 ZINC000047797072 822609555 /nfs/dbraw/zinc/60/95/55/822609555.db2.gz QEDRSCMSWBCRFZ-SFHVURJKSA-N 1 0 396.535 4.108 20 0 GIADRO CC[NH+](CC)CCOc1cc(NC(=O)c2ccc(C)nc2C2CC2)ccc1OC ZINC000455214175 822610289 /nfs/dbraw/zinc/61/02/89/822610289.db2.gz FZSHCHLJMYEXFJ-UHFFFAOYSA-N 1 0 397.519 4.249 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(NC(=O)c2cccnc2)cc1)c1nc2ccccc2n1C ZINC000180075592 822610337 /nfs/dbraw/zinc/61/03/37/822610337.db2.gz BHLSTYWRMWITPH-MRXNPFEDSA-N 1 0 385.471 4.071 20 0 GIADRO O=C(Nc1cccc(OCCc2ccccc2)c1)NC1CC[NH+](C2CC2)CC1 ZINC000047806280 822610924 /nfs/dbraw/zinc/61/09/24/822610924.db2.gz BUUZHLAAKIDKHL-UHFFFAOYSA-N 1 0 379.504 4.056 20 0 GIADRO Cc1ccc(C)c([C@H]([NH2+]Cc2cccnc2N2CCOCC2)c2ccccc2)c1 ZINC000180080865 822611292 /nfs/dbraw/zinc/61/12/92/822611292.db2.gz TZQJKLVKQWSOHM-XMMPIXPASA-N 1 0 387.527 4.414 20 0 GIADRO COc1cccc(N2CC[C@@H](C[NH2+][C@@H](C)c3nc4ccc(Cl)cc4n3C)C2)c1 ZINC000180083288 822611725 /nfs/dbraw/zinc/61/17/25/822611725.db2.gz NNYNHQZZQLONLK-HOTGVXAUSA-N 1 0 398.938 4.412 20 0 GIADRO CCc1nn(C)cc1C[NH2+][C@@H](C)c1ccc(OCc2ccccc2)c(OC)c1 ZINC000180086637 822612431 /nfs/dbraw/zinc/61/24/31/822612431.db2.gz ORFSHAUKXBVJOJ-KRWDZBQOSA-N 1 0 379.504 4.421 20 0 GIADRO CC(C)Oc1ccccc1[C@H](C)NC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000047832304 822613223 /nfs/dbraw/zinc/61/32/23/822613223.db2.gz LVUIDLRMYUIBJV-DOTOQJQBSA-N 1 0 375.538 4.198 20 0 GIADRO C[C@@H](NC(=O)NC[C@H](c1cccs1)[NH+](C)C)c1cccc(OC(F)F)c1 ZINC000047832242 822613309 /nfs/dbraw/zinc/61/33/09/822613309.db2.gz QNYNZTZMEDXNRB-IUODEOHRSA-N 1 0 383.464 4.013 20 0 GIADRO C[C@@H]([NH2+]CC1(C)CCN(C(=O)OC(C)(C)C)CC1)c1ccc([S@](C)=O)cc1 ZINC000184317328 822613555 /nfs/dbraw/zinc/61/35/55/822613555.db2.gz FRRVMSHWZOQQHZ-JWIGPWBQSA-N 1 0 394.581 4.112 20 0 GIADRO COc1cc([C@H](C)[NH2+]Cc2cc(=O)oc3cc(O)ccc23)ccc1OCC(C)C ZINC000180092718 822613880 /nfs/dbraw/zinc/61/38/80/822613880.db2.gz WGNGVNDREINEMR-HNNXBMFYSA-N 1 0 397.471 4.393 20 0 GIADRO COc1cc([C@H](C)[NH2+]CC(=O)Nc2cccnc2Cl)ccc1OCC(C)C ZINC000180098395 822614926 /nfs/dbraw/zinc/61/49/26/822614926.db2.gz GVSWYYDQICFCNE-AWEZNQCLSA-N 1 0 391.899 4.068 20 0 GIADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)N[C@H](c3cccc4ccccc43)C(F)(F)F)C2)C1 ZINC000455240846 822615615 /nfs/dbraw/zinc/61/56/15/822615615.db2.gz RTGPPPXIMAGPHM-UYAOXDASSA-N 1 0 391.437 4.180 20 0 GIADRO CC[C@H](C(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1ccc(OC)cc1 ZINC000180104577 822615877 /nfs/dbraw/zinc/61/58/77/822615877.db2.gz NNWAQWXQZSOPBJ-NRFANRHFSA-N 1 0 384.545 4.376 20 0 GIADRO CC(C)[NH+]1CCC(NC(=O)N[C@H](C)C(c2ccccc2)c2ccccc2)CC1 ZINC000047884566 822616209 /nfs/dbraw/zinc/61/62/09/822616209.db2.gz HFSBYOGZXXRHAF-LJQANCHMSA-N 1 0 379.548 4.379 20 0 GIADRO C[C@H](NC(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1)c1ccccn1 ZINC000047888264 822616454 /nfs/dbraw/zinc/61/64/54/822616454.db2.gz NCKCERRXBYJUCW-FHWLQOOXSA-N 1 0 380.536 4.120 20 0 GIADRO C[C@H](NC(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccccn1 ZINC000047887836 822616471 /nfs/dbraw/zinc/61/64/71/822616471.db2.gz VIBGDRSMUUJKEE-OTWHNJEPSA-N 1 0 380.536 4.120 20 0 GIADRO O=C(NCCCCC[NH+]1CCCC1)N[C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000455245714 822616703 /nfs/dbraw/zinc/61/67/03/822616703.db2.gz VFWKFGIDLZHNAN-INIZCTEOSA-N 1 0 393.400 4.134 20 0 GIADRO CCc1nn(C)cc1C[NH2+][C@@H](Cc1ccccc1C)c1ccc(OC)c(OC)c1 ZINC000180108790 822617057 /nfs/dbraw/zinc/61/70/57/822617057.db2.gz HADMUWZPNQZUEV-QFIPXVFZSA-N 1 0 393.531 4.382 20 0 GIADRO O=C(CCc1ccc2[nH]ccc2c1)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000180108910 822617085 /nfs/dbraw/zinc/61/70/85/822617085.db2.gz KZCUBDCOQVKXLA-GOSISDBHSA-N 1 0 381.545 4.190 20 0 GIADRO C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000184333356 822617346 /nfs/dbraw/zinc/61/73/46/822617346.db2.gz RZYMVBPSJJOICU-KRWDZBQOSA-N 1 0 378.944 4.177 20 0 GIADRO COc1ccc(OCc2nc(CNCC[C@@H](C)[NH+]3CCCCC3)cs2)cc1 ZINC000184333935 822617352 /nfs/dbraw/zinc/61/73/52/822617352.db2.gz AQHUXAYQZFJRNB-QGZVFWFLSA-N 1 0 389.565 4.085 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]CC(=O)NC(C1CC1)C1CC1 ZINC000184343604 822619166 /nfs/dbraw/zinc/61/91/66/822619166.db2.gz WNHDIRNNCAINQE-GFCCVEGCSA-N 1 0 387.524 4.213 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)N[C@H](C)c1cccc(NC(C)=O)c1)c1ccccc1 ZINC000047948095 822621891 /nfs/dbraw/zinc/62/18/91/822621891.db2.gz DDLOEKOSIQTXAX-VGOFRKELSA-N 1 0 396.535 4.088 20 0 GIADRO CC[NH+](CC)[C@H](C)CNC(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1C ZINC000047949543 822622162 /nfs/dbraw/zinc/62/21/62/822622162.db2.gz LNLZHYUNUDYCBF-QGZVFWFLSA-N 1 0 382.508 4.099 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)NCc1coc(-c2cccs2)n1)c1ccccc1 ZINC000047948586 822622201 /nfs/dbraw/zinc/62/22/01/822622201.db2.gz GIEVMONDVMNMNB-SFHVURJKSA-N 1 0 398.532 4.285 20 0 GIADRO C[C@H](N[C@@H]1CCCN(c2ccccc2Cl)C1=O)c1nc2ccccc2n1C ZINC000180132875 822622563 /nfs/dbraw/zinc/62/25/63/822622563.db2.gz LSIFWDDUHLCKJW-WMLDXEAASA-N 1 0 382.895 4.073 20 0 GIADRO CC(C)(C)[NH+]1CCC(NC(=O)Nc2nc(-c3ccccc3Cl)ns2)CC1 ZINC000184368554 822623303 /nfs/dbraw/zinc/62/33/03/822623303.db2.gz QHFLHRDITNLKCP-UHFFFAOYSA-N 1 0 393.944 4.243 20 0 GIADRO O=C(Nc1ccc(Cl)c(OC(F)F)c1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000180145103 822625948 /nfs/dbraw/zinc/62/59/48/822625948.db2.gz CVGQBNFXQYWAHC-LRDDRELGSA-N 1 0 399.869 4.422 20 0 GIADRO C[N@@H+]1CC[C@@H](NC(=O)c2ccccc2NC(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000180147122 822626541 /nfs/dbraw/zinc/62/65/41/822626541.db2.gz XJYRQSYGCXMUJD-PKTZIBPZSA-N 1 0 399.494 4.114 20 0 GIADRO Cc1cc(N2CCCC2)ccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000048055802 822627822 /nfs/dbraw/zinc/62/78/22/822627822.db2.gz MTSRFTISROGVQO-UHFFFAOYSA-N 1 0 398.526 4.330 20 0 GIADRO CSc1c(F)cc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1F ZINC000184396715 822628103 /nfs/dbraw/zinc/62/81/03/822628103.db2.gz FMRQVRJIMRYTQI-YVEFUNNKSA-N 1 0 381.492 4.167 20 0 GIADRO C[C@@H](Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1ccc([S@](C)=O)cc1 ZINC000180155646 822628551 /nfs/dbraw/zinc/62/85/51/822628551.db2.gz STIMCBXDMDJXGE-WRHNGFHOSA-N 1 0 397.588 4.129 20 0 GIADRO C[C@H](NC(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1)c1cccnc1 ZINC000048067528 822628916 /nfs/dbraw/zinc/62/89/16/822628916.db2.gz BUORZUPLDMMOOI-QRVBRYPASA-N 1 0 380.536 4.120 20 0 GIADRO C[C@H](NC(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1)c1cccnc1 ZINC000048067527 822628974 /nfs/dbraw/zinc/62/89/74/822628974.db2.gz BUORZUPLDMMOOI-FHWLQOOXSA-N 1 0 380.536 4.120 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)Nc3cccc(N(C)C)c3C)c(C)c2)CC1 ZINC000180157817 822629207 /nfs/dbraw/zinc/62/92/07/822629207.db2.gz MDHDVAZIFWLFSE-UHFFFAOYSA-N 1 0 395.551 4.155 20 0 GIADRO C[C@H](Cc1ccc(Br)cc1)[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000180159733 822629390 /nfs/dbraw/zinc/62/93/90/822629390.db2.gz ADDHUCXRUXBBSP-CYBMUJFWSA-N 1 0 393.291 4.387 20 0 GIADRO Fc1ccc(Br)c(C[NH2+]C2CCN(CCC(F)(F)F)CC2)c1 ZINC000180159178 822629405 /nfs/dbraw/zinc/62/94/05/822629405.db2.gz UKYLRRYCEWEFFM-UHFFFAOYSA-N 1 0 383.227 4.095 20 0 GIADRO CCCCOc1ccc(OC)cc1NC(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000048075527 822629660 /nfs/dbraw/zinc/62/96/60/822629660.db2.gz BWFMBFPDDXKZHE-UHFFFAOYSA-N 1 0 391.556 4.458 20 0 GIADRO Fc1ccc(CC[NH2+]C2CCN(CCC(F)(F)F)CC2)cc1Br ZINC000180160721 822629807 /nfs/dbraw/zinc/62/98/07/822629807.db2.gz HRGNGJWRHHWBRQ-UHFFFAOYSA-N 1 0 397.254 4.137 20 0 GIADRO CC(C)c1nc2n(n1)CCC[C@@H]2NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180162755 822630176 /nfs/dbraw/zinc/63/01/76/822630176.db2.gz QRSXYZNGLXPQRE-VTHDOGFWSA-N 1 0 379.552 4.022 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(N(C)C)c1C ZINC000180166845 822631040 /nfs/dbraw/zinc/63/10/40/822631040.db2.gz HHRREABDBNIHLM-OAQYLSRUSA-N 1 0 394.563 4.437 20 0 GIADRO O[C@@H](C[NH2+]C1CCN(CCC(F)(F)F)CC1)c1c(Cl)cccc1Cl ZINC000180177390 822632987 /nfs/dbraw/zinc/63/29/87/822632987.db2.gz OZWUAQGCJOZVOI-AWEZNQCLSA-N 1 0 385.257 4.033 20 0 GIADRO COc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1OC1CCCC1 ZINC000184427847 822633172 /nfs/dbraw/zinc/63/31/72/822633172.db2.gz HFLOPUYDOGXRQI-WIYYLYMNSA-N 1 0 398.547 4.106 20 0 GIADRO Cn1cc(C[NH+]2CCC([C@H](O)c3ccc(Cl)cc3)CC2)c(C(C)(C)C)n1 ZINC000180183665 822634501 /nfs/dbraw/zinc/63/45/01/822634501.db2.gz XXRJIHRBADVJOD-LJQANCHMSA-N 1 0 375.944 4.317 20 0 GIADRO Cc1c(NC(=O)N[C@H]2c3ccccc3CC[C@H]2n2ccnc2)cccc1N(C)C ZINC000180187665 822635294 /nfs/dbraw/zinc/63/52/94/822635294.db2.gz VWWWLTSQDFKOJQ-YADHBBJMSA-N 1 0 389.503 4.308 20 0 GIADRO CC1(C)CC(NC(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)CC(C)(C)[NH2+]1 ZINC000048127269 822636486 /nfs/dbraw/zinc/63/64/86/822636486.db2.gz PBULSIKYSACUEG-UHFFFAOYSA-N 1 0 397.494 4.117 20 0 GIADRO CC(C)c1c(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cnn1-c1ccccn1 ZINC000048136815 822637210 /nfs/dbraw/zinc/63/72/10/822637210.db2.gz ZOFXRQIXKRVJLE-UHFFFAOYSA-N 1 0 389.503 4.239 20 0 GIADRO CC(C)OC(=O)C[C@H]1CCC[N@H+](Cc2ccc(SC(=O)N(C)C)cc2)C1 ZINC000184452932 822637853 /nfs/dbraw/zinc/63/78/53/822637853.db2.gz SHCXQHTYGGKBEY-QGZVFWFLSA-N 1 0 378.538 4.014 20 0 GIADRO CCOc1ccc(NC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)c(C)c1 ZINC000048143493 822638649 /nfs/dbraw/zinc/63/86/49/822638649.db2.gz OHJOAPKLECXNMC-UHFFFAOYSA-N 1 0 381.520 4.442 20 0 GIADRO O=C(c1ccccc1)N1CCC([NH2+]Cc2ccc(Cl)c3cccnc23)CC1 ZINC000180203182 822638763 /nfs/dbraw/zinc/63/87/63/822638763.db2.gz DMSUFVGJYKEOLD-UHFFFAOYSA-N 1 0 379.891 4.283 20 0 GIADRO OC1CC[NH+](CCCN[C@H](c2ccc(F)cc2)c2ccccc2Cl)CC1 ZINC000180211666 822640271 /nfs/dbraw/zinc/64/02/71/822640271.db2.gz VLYYQCJONLHEGP-OAQYLSRUSA-N 1 0 376.903 4.005 20 0 GIADRO C[C@H](CC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccc(Cl)cc1 ZINC000180211106 822640276 /nfs/dbraw/zinc/64/02/76/822640276.db2.gz CAWODJDZUGEODK-KRWDZBQOSA-N 1 0 385.939 4.337 20 0 GIADRO Cc1ccc(C)c(OCCCCC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000180216020 822641084 /nfs/dbraw/zinc/64/10/84/822641084.db2.gz YQBZGHOVKJHDOD-UHFFFAOYSA-N 1 0 395.547 4.280 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(SC(F)(F)F)cc1 ZINC000180222017 822642264 /nfs/dbraw/zinc/64/22/64/822642264.db2.gz BFZAMHNSKLXSJT-UHFFFAOYSA-N 1 0 395.450 4.340 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000180223736 822642642 /nfs/dbraw/zinc/64/26/42/822642642.db2.gz IICUESNYOSHZTI-IAGOWNOFSA-N 1 0 387.886 4.010 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NCCSc1ccccc1 ZINC000180233666 822645109 /nfs/dbraw/zinc/64/51/09/822645109.db2.gz NZLUTSXHNXZBRN-UHFFFAOYSA-N 1 0 398.576 4.122 20 0 GIADRO CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1[NH2+]Cc1coc(-c2cccs2)n1 ZINC000180242824 822646825 /nfs/dbraw/zinc/64/68/25/822646825.db2.gz VBVCYFWBZHGHSD-UKRRQHHQSA-N 1 0 377.510 4.186 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(OC)c(OC(F)F)c1)c1ccsc1 ZINC000048228587 822646971 /nfs/dbraw/zinc/64/69/71/822646971.db2.gz NJFQNVWKCOUFLD-OAHLLOKOSA-N 1 0 398.475 4.171 20 0 GIADRO COc1ccc(CCC[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)cc1OC ZINC000180244338 822647101 /nfs/dbraw/zinc/64/71/01/822647101.db2.gz KYUCPDVPQBCLKD-UHFFFAOYSA-N 1 0 392.540 4.062 20 0 GIADRO C[C@@H]1C[C@H](CCNC(=O)NC[C@H]2CCCC2(F)F)C[N@@H+]1Cc1ccccc1 ZINC000455405168 822647617 /nfs/dbraw/zinc/64/76/17/822647617.db2.gz GRYIKRHUMIZFLF-NZSAHSFTSA-N 1 0 379.495 4.022 20 0 GIADRO C[C@@H]1C[C@@H](CCNC(=O)NC[C@H]2CCCC2(F)F)C[N@@H+]1Cc1ccccc1 ZINC000455405166 822647677 /nfs/dbraw/zinc/64/76/77/822647677.db2.gz GRYIKRHUMIZFLF-BHIYHBOVSA-N 1 0 379.495 4.022 20 0 GIADRO O=C(CCSCc1ccccn1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000048245507 822647983 /nfs/dbraw/zinc/64/79/83/822647983.db2.gz XWUKTRATBLDVLA-UHFFFAOYSA-N 1 0 383.561 4.007 20 0 GIADRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+]C[C@@H](C)CS(C)(=O)=O ZINC000184511749 822648124 /nfs/dbraw/zinc/64/81/24/822648124.db2.gz XFSMUPOYZXSAJS-NEPJUHHUSA-N 1 0 386.970 4.103 20 0 GIADRO Cc1cc(NC(=O)C[NH2+][C@H](C)c2sc(-c3ccc(Cl)cc3)nc2C)on1 ZINC000184513278 822648399 /nfs/dbraw/zinc/64/83/99/822648399.db2.gz GDOYYMXPARXCCJ-LLVKDONJSA-N 1 0 390.896 4.358 20 0 GIADRO COc1ccc([C@H](C)[C@@H](C)[NH2+][C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1 ZINC000184512335 822648467 /nfs/dbraw/zinc/64/84/67/822648467.db2.gz HFNDZNBFYIHVAZ-CKNGIIGNSA-N 1 0 384.495 4.409 20 0 GIADRO C[C@@H]([NH2+]CCc1ccncc1)c1ccc(Br)cc1Br ZINC000048261941 822649724 /nfs/dbraw/zinc/64/97/24/822649724.db2.gz JYFPDAPUEAGOMX-LLVKDONJSA-N 1 0 384.115 4.500 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1cc(NC(C)=O)ccc1C)Cc1ccccc1 ZINC000048270768 822650323 /nfs/dbraw/zinc/65/03/23/822650323.db2.gz YMTGFCFJRNFZOX-OAQYLSRUSA-N 1 0 396.535 4.028 20 0 GIADRO CSc1ccc([C@@H](CNC(=O)Nc2ncsc2C(C)C)[NH+](C)C)cc1 ZINC000455428459 822651865 /nfs/dbraw/zinc/65/18/65/822651865.db2.gz HVBCKIPQPTZUTF-OAHLLOKOSA-N 1 0 378.567 4.413 20 0 GIADRO CC(C)c1scnc1NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000455447132 822655879 /nfs/dbraw/zinc/65/58/79/822655879.db2.gz YZMNRORTUDTDKL-UHFFFAOYSA-N 1 0 378.464 4.147 20 0 GIADRO CC(=O)Nc1cc(NC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)ccc1C ZINC000048361064 822656151 /nfs/dbraw/zinc/65/61/51/822656151.db2.gz GHTFTUGTMSNVKD-UHFFFAOYSA-N 1 0 394.519 4.002 20 0 GIADRO CCCC[NH+]1CCC(NC(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)CC1 ZINC000180295347 822658241 /nfs/dbraw/zinc/65/82/41/822658241.db2.gz LRQCZOWAXSFNKH-UHFFFAOYSA-N 1 0 393.491 4.276 20 0 GIADRO CN(C)C(=O)CCC[NH2+][C@H](c1ccc(Cl)cc1)c1ccc(OC(F)F)cc1 ZINC000180301091 822659795 /nfs/dbraw/zinc/65/97/95/822659795.db2.gz KCEBEVNVWPXZJB-LJQANCHMSA-N 1 0 396.865 4.489 20 0 GIADRO COc1ccccc1COc1cccc(NC(=O)N(C)CC[N@H+](C)C2CC2)c1C ZINC000184574261 822659858 /nfs/dbraw/zinc/65/98/58/822659858.db2.gz NZPLTAPAAUHUIE-UHFFFAOYSA-N 1 0 397.519 4.141 20 0 GIADRO C[C@@H](Cc1ccccc1F)NC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180305855 822660531 /nfs/dbraw/zinc/66/05/31/822660531.db2.gz HXTKEGHDLOZFIO-SFHVURJKSA-N 1 0 398.526 4.100 20 0 GIADRO Cc1cc2ncc([C@@H](C)[NH2+]C[C@@H](O)c3ccc(-c4ccccc4)cc3)c(C)n2n1 ZINC000184585438 822661599 /nfs/dbraw/zinc/66/15/99/822661599.db2.gz YYNJTLOGVBFGLD-UZUQRXQVSA-N 1 0 386.499 4.397 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000455477049 822662000 /nfs/dbraw/zinc/66/20/00/822662000.db2.gz PJQGDGXDIREGKY-BPIHKTFHSA-N 1 0 398.576 4.446 20 0 GIADRO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1ccc(-n2cc[nH]c2=S)cc1 ZINC000180317207 822662415 /nfs/dbraw/zinc/66/24/15/822662415.db2.gz DQQVSLKGFQMSOQ-UHFFFAOYSA-N 1 0 392.528 4.052 20 0 GIADRO C[C@@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(-c2ccc(F)cc2)cc1 ZINC000455479132 822662484 /nfs/dbraw/zinc/66/24/84/822662484.db2.gz RQYSIIRVMJJKBX-JDXMOABCSA-N 1 0 381.495 4.478 20 0 GIADRO Cc1cc(C)c(NC(=O)NC(C)(C)COc2ccc(C(F)(F)F)cn2)c(C)n1 ZINC000455483500 822663126 /nfs/dbraw/zinc/66/31/26/822663126.db2.gz IYXDSAYEDPBYDE-UHFFFAOYSA-N 1 0 396.413 4.400 20 0 GIADRO 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 822663213 /nfs/dbraw/zinc/66/32/13/822663213.db2.gz XLMRIRXNRRRLKO-SJQSHANBSA-N 1 0 395.469 4.423 20 0 GIADRO C[C@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000455484556 822663513 /nfs/dbraw/zinc/66/35/13/822663513.db2.gz ZHVXCKDVLXGBMZ-RJPYNODJSA-N 1 0 382.335 4.247 20 0 GIADRO Cc1c(NC(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)cccc1-c1ncco1 ZINC000455487509 822664154 /nfs/dbraw/zinc/66/41/54/822664154.db2.gz JMXUKROKVVYXQI-INIZCTEOSA-N 1 0 378.476 4.292 20 0 GIADRO Cc1cc(C)c(NC(=O)N(C)Cc2cc3c(cc2OC(F)F)OCO3)c(C)n1 ZINC000455499099 822666334 /nfs/dbraw/zinc/66/63/34/822666334.db2.gz RVOABDRZQIJZOL-UHFFFAOYSA-N 1 0 393.390 4.001 20 0 GIADRO CC[C@@H](Cc1ccccc1)NC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180341682 822666583 /nfs/dbraw/zinc/66/65/83/822666583.db2.gz DPYJNDQKNRIUED-QFIPXVFZSA-N 1 0 394.563 4.351 20 0 GIADRO O=C(Nc1cccc(NC(=O)N2CC[NH+](C3CCCC3)CC2)c1)c1ccccc1 ZINC000048483561 822666847 /nfs/dbraw/zinc/66/68/47/822666847.db2.gz JOGMXBOBBONROT-UHFFFAOYSA-N 1 0 392.503 4.031 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)N1CCc2c(ccc(Cl)c2Cl)C1 ZINC000455504281 822667464 /nfs/dbraw/zinc/66/74/64/822667464.db2.gz QNRHIQABFUBFJB-UHFFFAOYSA-N 1 0 382.335 4.078 20 0 GIADRO Cc1cc(C)c(NC(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(C)n1 ZINC000455513574 822669009 /nfs/dbraw/zinc/66/90/09/822669009.db2.gz JAKSVWOMEVZVGC-QHCPKHFHSA-N 1 0 378.520 4.137 20 0 GIADRO N#CCOc1cccc(NC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)c1 ZINC000048514308 822669241 /nfs/dbraw/zinc/66/92/41/822669241.db2.gz GTHSDJKZACEJEE-HXUWFJFHSA-N 1 0 398.894 4.201 20 0 GIADRO CC(C)Oc1ccc2ccccc2c1C[NH2+][C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000184641463 822669753 /nfs/dbraw/zinc/66/97/53/822669753.db2.gz DAJOUODZRWWCKF-PZJWPPBQSA-N 1 0 375.534 4.072 20 0 GIADRO CCOc1cccc2cc([C@@H](C)[NH2+]CC(=O)N[C@@H]3CCOc4ccccc43)oc21 ZINC000180359973 822670095 /nfs/dbraw/zinc/67/00/95/822670095.db2.gz MAWRZDTUAKEKQM-CRAIPNDOSA-N 1 0 394.471 4.122 20 0 GIADRO Cc1c(NC(=O)NCCC[N@@H+]2CCc3ccccc3C2)cccc1-c1ncco1 ZINC000455523277 822670344 /nfs/dbraw/zinc/67/03/44/822670344.db2.gz ZEVJHDHQENWPNV-UHFFFAOYSA-N 1 0 390.487 4.220 20 0 GIADRO C[C@H](NC1CC[NH+](CCc2ccccc2)CC1)c1nc(-c2cccc(F)c2)no1 ZINC000184645524 822670407 /nfs/dbraw/zinc/67/04/07/822670407.db2.gz QKPLYWAJWSONCZ-KRWDZBQOSA-N 1 0 394.494 4.233 20 0 GIADRO CCN1CC[C@H]([NH2+]Cc2ccc(NC(C)=O)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180364854 822670677 /nfs/dbraw/zinc/67/06/77/822670677.db2.gz IDGDUDPEQGAHIK-SFTDATJTSA-N 1 0 389.902 4.363 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1cccc(Cl)c1F)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000184648882 822670761 /nfs/dbraw/zinc/67/07/61/822670761.db2.gz UMMFXHVGPNKIOV-CHWSQXEVSA-N 1 0 384.904 4.141 20 0 GIADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)Nc2cccc(-c3ncco3)c2C)cc1 ZINC000455546114 822673175 /nfs/dbraw/zinc/67/31/75/822673175.db2.gz XUOSZNWDGHPXOU-FQEVSTJZSA-N 1 0 394.475 4.083 20 0 GIADRO CC(C)[NH+]1CCC(NC(=O)N2CCC(c3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000180389393 822674266 /nfs/dbraw/zinc/67/42/66/822674266.db2.gz PGGCFCBWLNIUKY-UHFFFAOYSA-N 1 0 397.485 4.467 20 0 GIADRO O=C(N[C@H](Cc1ccccc1)c1cccs1)NC1CC[NH+](C2CCC2)CC1 ZINC000455557664 822674399 /nfs/dbraw/zinc/67/43/99/822674399.db2.gz JHUYOFSFDAABPU-HXUWFJFHSA-N 1 0 383.561 4.348 20 0 GIADRO Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000455561056 822674811 /nfs/dbraw/zinc/67/48/11/822674811.db2.gz MVXCFUIGISKJNB-GOSISDBHSA-N 1 0 383.458 4.305 20 0 GIADRO Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000455565630 822675342 /nfs/dbraw/zinc/67/53/42/822675342.db2.gz RCLDNZKSWKIGMA-HNNXBMFYSA-N 1 0 378.586 4.294 20 0 GIADRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)Nc1cc(F)cc(F)c1F ZINC000455568568 822675886 /nfs/dbraw/zinc/67/58/86/822675886.db2.gz RFBVYSBYUNPBRE-UHFFFAOYSA-N 1 0 383.439 4.199 20 0 GIADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Nc1cc(F)cc(F)c1F ZINC000455570831 822676365 /nfs/dbraw/zinc/67/63/65/822676365.db2.gz WPAAMBRXIJBAMS-UHFFFAOYSA-N 1 0 385.352 4.232 20 0 GIADRO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1scnc1C1CCCC1 ZINC000184692037 822677660 /nfs/dbraw/zinc/67/76/60/822677660.db2.gz MXQIJJMJIAKCGI-SFHVURJKSA-N 1 0 383.561 4.095 20 0 GIADRO C[N@H+](Cc1ccccc1)CC(C)(C)NCc1nnc(-c2ccccc2Cl)o1 ZINC000180418199 822678228 /nfs/dbraw/zinc/67/82/28/822678228.db2.gz SXWRJNJZHMCRLD-UHFFFAOYSA-N 1 0 384.911 4.390 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)C(C)(C)c3ccccc3F)cc2)CC1 ZINC000180419462 822678500 /nfs/dbraw/zinc/67/85/00/822678500.db2.gz KBKNKHCEKBAURL-UHFFFAOYSA-N 1 0 383.511 4.272 20 0 GIADRO COc1cc(NC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc(OC)c1C ZINC000455583734 822678568 /nfs/dbraw/zinc/67/85/68/822678568.db2.gz ZWBBDSFGVOQJCL-WMZOPIPTSA-N 1 0 389.540 4.131 20 0 GIADRO C[C@@H](CC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1F ZINC000180420994 822678607 /nfs/dbraw/zinc/67/86/07/822678607.db2.gz CAGMMGGFKLJONY-SFHVURJKSA-N 1 0 383.511 4.479 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3ccccc3OC(F)F)cc2)CC1 ZINC000180424757 822679464 /nfs/dbraw/zinc/67/94/64/822679464.db2.gz ZNADPPMXJTWTDB-UHFFFAOYSA-N 1 0 389.446 4.071 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)CCCOc1cccc(F)c1 ZINC000180426725 822679744 /nfs/dbraw/zinc/67/97/44/822679744.db2.gz JKHJXJOJNKSAQT-UHFFFAOYSA-N 1 0 399.510 4.145 20 0 GIADRO CCOc1ccc(CCC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000180430573 822680511 /nfs/dbraw/zinc/68/05/11/822680511.db2.gz KIXCOFURALMFSD-UHFFFAOYSA-N 1 0 395.547 4.178 20 0 GIADRO COc1cc(C[NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)cc(OC)c1OC ZINC000048741516 822680506 /nfs/dbraw/zinc/68/05/06/822680506.db2.gz YFUIVUHWPKGXBG-UHFFFAOYSA-N 1 0 398.434 4.329 20 0 GIADRO COCCOc1cccc(C[NH2+]Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)c1 ZINC000048744980 822680751 /nfs/dbraw/zinc/68/07/51/822680751.db2.gz MHQPTHBWMQTPFC-UHFFFAOYSA-N 1 0 399.922 4.458 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)N[C@H](c1ccccc1)C(F)F ZINC000455594790 822680871 /nfs/dbraw/zinc/68/08/71/822680871.db2.gz JBLIKQFQSVSZDI-FUHWJXTLSA-N 1 0 377.435 4.112 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)CCCOc1ccccc1 ZINC000180435547 822681332 /nfs/dbraw/zinc/68/13/32/822681332.db2.gz PCDRMZAQZLTALJ-UHFFFAOYSA-N 1 0 381.520 4.006 20 0 GIADRO C[C@H](NC(=O)NCc1cccc(C[NH+](C)C)c1)c1ccc(OC(F)(F)F)cc1 ZINC000048757607 822681615 /nfs/dbraw/zinc/68/16/15/822681615.db2.gz WZXPHQGAPNAUGU-AWEZNQCLSA-N 1 0 395.425 4.207 20 0 GIADRO COc1cc([C@H](C)[NH2+]Cc2ccc(C(N)=O)cc2)ccc1OCc1ccccc1 ZINC000048775843 822682018 /nfs/dbraw/zinc/68/20/18/822682018.db2.gz GIOUURIITIDXQS-KRWDZBQOSA-N 1 0 390.483 4.224 20 0 GIADRO Cc1c(-c2cc(C[NH2+]C(C)(C)c3ccc(OCC(C)C)cc3)on2)cnn1C ZINC000184724948 822682238 /nfs/dbraw/zinc/68/22/38/822682238.db2.gz DDLFXBLRBMSZDK-UHFFFAOYSA-N 1 0 382.508 4.443 20 0 GIADRO O=C(NC[C@H]1CCCCN1Cc1cccc(Cl)c1)[C@@H]1C[C@H]1c1cccnc1 ZINC000455601835 822682338 /nfs/dbraw/zinc/68/23/38/822682338.db2.gz RDEOVBQPABHXQR-QHAWAJNXSA-N 1 0 383.923 4.009 20 0 GIADRO Cc1cc([C@H](C)[NH2+]C2CC(C(=O)OC(C)C)(C(=O)OC(C)C)C2)c(C)s1 ZINC000180440660 822682420 /nfs/dbraw/zinc/68/24/20/822682420.db2.gz WUQOSFMNKXWAML-AWEZNQCLSA-N 1 0 381.538 4.068 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H]1C[C@]12CCc1ccccc12 ZINC000180441964 822682791 /nfs/dbraw/zinc/68/27/91/822682791.db2.gz HRAZSLWHRGEELV-NOZRDPDXSA-N 1 0 389.543 4.051 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(Cl)cc1Cl)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000048780433 822682818 /nfs/dbraw/zinc/68/28/18/822682818.db2.gz HFNYOJVMZLUZOZ-LBPRGKRZSA-N 1 0 387.332 4.095 20 0 GIADRO COc1cc(C[NH2+]Cc2cccc(NC(=O)c3ccc(F)cc3)c2)cc(OC)c1 ZINC000048781086 822682870 /nfs/dbraw/zinc/68/28/70/822682870.db2.gz VZJJMHBAGJXVHH-UHFFFAOYSA-N 1 0 394.446 4.385 20 0 GIADRO CCCOc1cccc(C(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000180443868 822683025 /nfs/dbraw/zinc/68/30/25/822683025.db2.gz DTULXPWCQDXDSI-UHFFFAOYSA-N 1 0 381.520 4.249 20 0 GIADRO O=C(c1ccncc1)N1CCC([NH2+]Cc2ccc(-c3ccccc3)s2)CC1 ZINC000048785411 822683107 /nfs/dbraw/zinc/68/31/07/822683107.db2.gz JSFYWMJOFVCXLE-UHFFFAOYSA-N 1 0 377.513 4.205 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H]1C[C@H]1c1ccc(F)cc1F ZINC000180444914 822683222 /nfs/dbraw/zinc/68/32/22/822683222.db2.gz RCTFLBZMGRIONJ-SFTDATJTSA-N 1 0 399.485 4.228 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)C(C)(C)c1ccccc1F ZINC000180445780 822683372 /nfs/dbraw/zinc/68/33/72/822683372.db2.gz SZURXFKGMPOXPZ-UHFFFAOYSA-N 1 0 383.511 4.263 20 0 GIADRO C[C@H](c1ccccc1Br)N(C)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000455620997 822685471 /nfs/dbraw/zinc/68/54/71/822685471.db2.gz SUHMYMJWWMDVFA-CQSZACIVSA-N 1 0 382.346 4.026 20 0 GIADRO CCc1cccc(C)c1NC(=O)CNC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000184755585 822686438 /nfs/dbraw/zinc/68/64/38/822686438.db2.gz DDWGWNXIAIBGCL-WOJBJXKFSA-N 1 0 393.575 4.242 20 0 GIADRO CCC(CC)[C@@H]1C[C@@H](NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)CCO1 ZINC000180487284 822689985 /nfs/dbraw/zinc/68/99/85/822689985.db2.gz VHBYTDGVTUGISM-VXKWHMMOSA-N 1 0 387.568 4.065 20 0 GIADRO CC(C)(C(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccc(Br)cc1 ZINC000049072886 822692197 /nfs/dbraw/zinc/69/21/97/822692197.db2.gz GYERGZYOSWLLCA-UHFFFAOYSA-N 1 0 393.369 4.061 20 0 GIADRO CC[NH+](CC)CC1CCN(C(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)CC1 ZINC000049078374 822692375 /nfs/dbraw/zinc/69/23/75/822692375.db2.gz UAUDRDPUJBUJPH-UHFFFAOYSA-N 1 0 397.519 4.034 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(OC(F)F)c1)c1ccc(OCc2nccn2C)cc1 ZINC000180505432 822692870 /nfs/dbraw/zinc/69/28/70/822692870.db2.gz VEYBJOZTERANNO-HNNXBMFYSA-N 1 0 387.430 4.451 20 0 GIADRO O[C@H](C[C@H]1CCC[N@@H+]1Cc1ccc(Oc2cnccn2)cc1)c1cccs1 ZINC000180507708 822693278 /nfs/dbraw/zinc/69/32/78/822693278.db2.gz AVXXMOQEUPFDML-IEBWSBKVSA-N 1 0 381.501 4.419 20 0 GIADRO O[C@@H](C[C@H]1CCC[N@@H+]1Cc1ccc(Oc2cnccn2)cc1)c1cccs1 ZINC000180507726 822693319 /nfs/dbraw/zinc/69/33/19/822693319.db2.gz AVXXMOQEUPFDML-MJGOQNOKSA-N 1 0 381.501 4.419 20 0 GIADRO COc1cc(C[NH2+][C@H](C)c2ccc(Cl)nc2)cc(Br)c1OC ZINC000180507414 822693344 /nfs/dbraw/zinc/69/33/44/822693344.db2.gz SRDOVFDRKFHGIF-SNVBAGLBSA-N 1 0 385.689 4.366 20 0 GIADRO C[NH+](C)CCN(CCCc1ccccc1)C(=O)Nc1ccc([C@@H]2CCOC2)cc1 ZINC000455661126 822693906 /nfs/dbraw/zinc/69/39/06/822693906.db2.gz IOGJWUNWGDHJSG-JOCHJYFZSA-N 1 0 395.547 4.219 20 0 GIADRO CSc1ccc([C@H](CNC(=O)Nc2ccc([C@@H]3CCOC3)cc2)[NH+](C)C)cc1 ZINC000455661002 822693912 /nfs/dbraw/zinc/69/39/12/822693912.db2.gz IUUFKEMFEHOOQM-NQIIRXRSSA-N 1 0 399.560 4.337 20 0 GIADRO CC[C@H](NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C)c1ccccc1OC(F)F ZINC000049194663 822694689 /nfs/dbraw/zinc/69/46/89/822694689.db2.gz HBTSBGPJPJLIBL-HOTGVXAUSA-N 1 0 397.491 4.403 20 0 GIADRO Cn1cc([C@@H]([NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)c2cccc(F)c2)cn1 ZINC000180519568 822695220 /nfs/dbraw/zinc/69/52/20/822695220.db2.gz AIQZKODFKRVYGW-OALUTQOASA-N 1 0 394.277 4.279 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cc(F)c(Br)cc2C)C1 ZINC000184825007 822695999 /nfs/dbraw/zinc/69/59/99/822695999.db2.gz CTFSWPTZOTUXSH-CYBMUJFWSA-N 1 0 386.309 4.092 20 0 GIADRO Cc1noc(C)c1[C@H](C)CC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000184834126 822697419 /nfs/dbraw/zinc/69/74/19/822697419.db2.gz OAPFJEFPSHYSHL-PXAZEXFGSA-N 1 0 397.441 4.223 20 0 GIADRO Cc1cccc(CN(CC[NH+](C)C)C(=O)Nc2ccc([C@@H]3CCOC3)cc2)c1 ZINC000455674695 822697625 /nfs/dbraw/zinc/69/76/25/822697625.db2.gz PRRRDHLAFOOQIO-OAQYLSRUSA-N 1 0 381.520 4.095 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](c1cccc(Cl)c1)N1CCOCC1)c1cccnc1Cl ZINC000180535693 822698085 /nfs/dbraw/zinc/69/80/85/822698085.db2.gz CFSWUDYYQMALNI-KDOFPFPSSA-N 1 0 380.319 4.113 20 0 GIADRO CCC[C@@H]1C[C@H](C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)CCO1 ZINC000184839636 822698386 /nfs/dbraw/zinc/69/83/86/822698386.db2.gz LDGOFPLNLXFZCD-NXHRZFHOSA-N 1 0 386.458 4.020 20 0 GIADRO Cc1cc(Br)c(F)cc1NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000184844468 822699182 /nfs/dbraw/zinc/69/91/82/822699182.db2.gz IABFZRCVBZQHRT-UHFFFAOYSA-N 1 0 386.309 4.139 20 0 GIADRO C[NH+](C)C1(CN[C@@H](c2ccccc2)c2ccc(OC(F)F)cc2)CCOCC1 ZINC000180543750 822699467 /nfs/dbraw/zinc/69/94/67/822699467.db2.gz PSNUARPZKLFUSY-FQEVSTJZSA-N 1 0 390.474 4.078 20 0 GIADRO Cc1oc(-c2ccco2)nc1CC(=O)N[C@@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000184850219 822700053 /nfs/dbraw/zinc/70/00/53/822700053.db2.gz QHSWNBZFYFZCCC-FQEVSTJZSA-N 1 0 395.503 4.058 20 0 GIADRO Cc1ccc([C@H](CNC(=O)COc2ccc(Cl)cc2Cl)[NH+](C)C)cc1 ZINC000049407787 822700501 /nfs/dbraw/zinc/70/05/01/822700501.db2.gz MGWYTIXVXAJADL-KRWDZBQOSA-N 1 0 381.303 4.100 20 0 GIADRO Cc1csc([C@H](NC(=O)NCCCCC[NH+]2CCCCC2)C(F)(F)F)n1 ZINC000455684860 822700681 /nfs/dbraw/zinc/70/06/81/822700681.db2.gz IJZOVYCRFQDVAO-AWEZNQCLSA-N 1 0 392.491 4.010 20 0 GIADRO Cn1cc([C@@H]([NH2+][C@H]2CCCN(c3cccc(F)c3)C2)c2cccc(F)c2)cn1 ZINC000180560100 822702453 /nfs/dbraw/zinc/70/24/53/822702453.db2.gz UZWTXZULJKANKQ-UNMCSNQZSA-N 1 0 382.458 4.046 20 0 GIADRO Cn1cc([C@@H]([NH2+]C[C@@H](O)c2ccc(C(C)(C)C)cc2)c2cccc(F)c2)cn1 ZINC000180559672 822702480 /nfs/dbraw/zinc/70/24/80/822702480.db2.gz SZSPOLALBNDBJV-YADHBBJMSA-N 1 0 381.495 4.269 20 0 GIADRO Cc1nc(C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c(-c2ccccc2)o1 ZINC000184863188 822702558 /nfs/dbraw/zinc/70/25/58/822702558.db2.gz JLHLEDUSEWLVJH-PKOBYXMFSA-N 1 0 381.520 4.377 20 0 GIADRO CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+]CCc2ccc3ccccc3c2)C1 ZINC000180563203 822703332 /nfs/dbraw/zinc/70/33/32/822703332.db2.gz VGOGQOZBXKVKMU-UHFFFAOYSA-N 1 0 397.515 4.024 20 0 GIADRO FC(F)CN1CCC[N@H+](CCCCOc2ccccc2C(F)(F)F)CC1 ZINC000180570084 822704243 /nfs/dbraw/zinc/70/42/43/822704243.db2.gz SKUXOJSGISMNNC-UHFFFAOYSA-N 1 0 380.401 4.137 20 0 GIADRO CC(=O)Nc1ccc(C[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccsc2)cc1 ZINC000180583256 822706059 /nfs/dbraw/zinc/70/60/59/822706059.db2.gz BYNYRUMMBSRMDB-JOCHJYFZSA-N 1 0 380.513 4.442 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)N(Cc1ccc(C)o1)C1CC1)[NH+]1CCCC1 ZINC000049790205 822709438 /nfs/dbraw/zinc/70/94/38/822709438.db2.gz YRYWLEXJQULHNI-OAQYLSRUSA-N 1 0 397.519 4.108 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)N(C)Cc3cc4ccccc4o3)c2)CC1 ZINC000184908660 822711590 /nfs/dbraw/zinc/71/15/90/822711590.db2.gz DBKGHYCNYUILBO-UHFFFAOYSA-N 1 0 392.503 4.239 20 0 GIADRO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@H+]1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000180611731 822712093 /nfs/dbraw/zinc/71/20/93/822712093.db2.gz VUPBHDNLYXCUPG-LHSJRXKWSA-N 1 0 385.462 4.047 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)N(Cc3ccccc3F)C3CC3)c2)CC1 ZINC000184911719 822712195 /nfs/dbraw/zinc/71/21/95/822712195.db2.gz NGHZXKBPXHXCGL-UHFFFAOYSA-N 1 0 396.510 4.164 20 0 GIADRO C[C@@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)C[C@@H]1n1ccnc1 ZINC000180612725 822712475 /nfs/dbraw/zinc/71/24/75/822712475.db2.gz IGEKUHHCZKCPMY-XXBNENTESA-N 1 0 398.514 4.214 20 0 GIADRO C[C@@H](CNC(=O)Nc1cn(C)nc1C1CCCCC1)[N@H+](C)Cc1ccccc1 ZINC000455720745 822713274 /nfs/dbraw/zinc/71/32/74/822713274.db2.gz VGTUZHNWJBOBCK-KRWDZBQOSA-N 1 0 383.540 4.110 20 0 GIADRO C[NH+](C)CC1CCN(C(=O)CCCc2ccc3c(c2)-c2ccccc2C3)CC1 ZINC000049993377 822713338 /nfs/dbraw/zinc/71/33/38/822713338.db2.gz HZHMQRDHNMBPRT-UHFFFAOYSA-N 1 0 376.544 4.381 20 0 GIADRO C[C@@H](C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)c1cn(C)c2ccccc12 ZINC000184922681 822713521 /nfs/dbraw/zinc/71/35/21/822713521.db2.gz DFKBIZSRUOSLAY-OXQOHEQNSA-N 1 0 381.545 4.297 20 0 GIADRO Cc1nc(Cc2ccccc2)sc1C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000050009631 822714002 /nfs/dbraw/zinc/71/40/02/822714002.db2.gz JIKAIDCTUARHPJ-UHFFFAOYSA-N 1 0 385.577 4.235 20 0 GIADRO Cn1cc(NC(=O)N2CCC(CCC[NH+](C)C)CC2)c(C2CCCCC2)n1 ZINC000455727060 822715047 /nfs/dbraw/zinc/71/50/47/822715047.db2.gz YQFXVYGYLPALPB-UHFFFAOYSA-N 1 0 375.561 4.054 20 0 GIADRO Cc1ccc(NC(=O)C2CC2)cc1NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000050032886 822715215 /nfs/dbraw/zinc/71/52/15/822715215.db2.gz PQWKAUZGAZJOSZ-FQEVSTJZSA-N 1 0 391.515 4.194 20 0 GIADRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)Nc1ccc(F)c(F)c1F ZINC000050035798 822715457 /nfs/dbraw/zinc/71/54/57/822715457.db2.gz QMHZZAAVHVFRLZ-GFCCVEGCSA-N 1 0 383.439 4.199 20 0 GIADRO CC(C)Oc1ccc([C@@H](CNC(=O)Nc2ccc3c(c2)CCC3=O)[NH+](C)C)cc1 ZINC000455729818 822715669 /nfs/dbraw/zinc/71/56/69/822715669.db2.gz IJXACXHCABQUQU-OAQYLSRUSA-N 1 0 395.503 4.027 20 0 GIADRO COc1ccc(NC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1Cl ZINC000050049971 822715912 /nfs/dbraw/zinc/71/59/12/822715912.db2.gz VALIIHRZHCVVKZ-CQSZACIVSA-N 1 0 393.940 4.444 20 0 GIADRO Cc1cc(N(C)C)ccc1NC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000050055592 822716320 /nfs/dbraw/zinc/71/63/20/822716320.db2.gz MCRNJKSUAMHIHD-QGZVFWFLSA-N 1 0 386.565 4.156 20 0 GIADRO CC[N@H+](CCC1CCN(C(=O)Nc2ccc3c(c2)CCC3=O)CC1)CC1CC1 ZINC000455736684 822717261 /nfs/dbraw/zinc/71/72/61/822717261.db2.gz PKRYETJEQHRAOL-UHFFFAOYSA-N 1 0 383.536 4.181 20 0 GIADRO C[C@H]([NH2+]CCn1ccnc1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000184955842 822718080 /nfs/dbraw/zinc/71/80/80/822718080.db2.gz PLJOXRBOTRGISQ-LBPRGKRZSA-N 1 0 377.311 4.120 20 0 GIADRO Cc1ccc(F)c(Br)c1NC(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000455744236 822718471 /nfs/dbraw/zinc/71/84/71/822718471.db2.gz DSKDREVMHIIIDU-CYBMUJFWSA-N 1 0 386.309 4.283 20 0 GIADRO CC(C)NC(=O)CC[NH2+][C@H](C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000184960969 822718734 /nfs/dbraw/zinc/71/87/34/822718734.db2.gz LBAMCEUQNBHYTK-GFCCVEGCSA-N 1 0 396.354 4.138 20 0 GIADRO CCOc1ccc(Cl)c(NC(=O)NCc2ccc(CC[NH+](C)C)cc2)c1 ZINC000455751287 822719779 /nfs/dbraw/zinc/71/97/79/822719779.db2.gz HRUQWBSHMNLTJM-UHFFFAOYSA-N 1 0 375.900 4.165 20 0 GIADRO O[C@H](C[NH+]1CCC(OCCc2ccccc2)CC1)c1ccc(F)cc1Cl ZINC000184976724 822720706 /nfs/dbraw/zinc/72/07/06/822720706.db2.gz CYGKOEBCVRYMAZ-OAQYLSRUSA-N 1 0 377.887 4.236 20 0 GIADRO Cc1ncc(CN(C)C(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)s1 ZINC000050157118 822720696 /nfs/dbraw/zinc/72/06/96/822720696.db2.gz QIPOKUBWNQWNGP-HXUWFJFHSA-N 1 0 386.565 4.066 20 0 GIADRO O=c1c2ccccc2ncn1CC[NH2+][C@@H](Cc1ccccc1)c1cccs1 ZINC000184979120 822720896 /nfs/dbraw/zinc/72/08/96/822720896.db2.gz LGXFVDQCHVGGJG-FQEVSTJZSA-N 1 0 375.497 4.032 20 0 GIADRO C[C@@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1cn(C)c2ccccc12 ZINC000184985336 822721927 /nfs/dbraw/zinc/72/19/27/822721927.db2.gz PAKDXAUEKCNXJP-GOSISDBHSA-N 1 0 375.516 4.194 20 0 GIADRO C[C@@H]([NH2+]C1CCC(O)(c2cccnc2)CC1)c1cccc(Br)c1 ZINC000185006705 822724495 /nfs/dbraw/zinc/72/44/95/822724495.db2.gz SDBWZASNCVDCAB-FTXHTYHOSA-N 1 0 375.310 4.325 20 0 GIADRO CC(C)C(=O)c1ccc(NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000455795469 822728085 /nfs/dbraw/zinc/72/80/85/822728085.db2.gz MHSJXKNUYOLUBI-IBGZPJMESA-N 1 0 379.504 4.169 20 0 GIADRO CC(F)(F)c1ccccc1NC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000455808475 822730163 /nfs/dbraw/zinc/73/01/63/822730163.db2.gz NMZKLRDPDLLMSR-GOSISDBHSA-N 1 0 387.474 4.484 20 0 GIADRO C[C@@H]([NH2+]Cc1cc(-c2cnn(C)c2)no1)[C@H](C)c1ccccc1C(F)(F)F ZINC000185061244 822731027 /nfs/dbraw/zinc/73/10/27/822731027.db2.gz XCPFEYITQHGFBG-QWHCGFSZSA-N 1 0 378.398 4.376 20 0 GIADRO C[C@@H](C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1cn(C)c2ccccc12 ZINC000185060906 822731034 /nfs/dbraw/zinc/73/10/34/822731034.db2.gz ZZEHCIHQCSVRML-QGZVFWFLSA-N 1 0 393.506 4.202 20 0 GIADRO CCCn1ncc(NC(=O)NC[C@@H](CC)[N@@H+]2CCc3ccccc3C2)c1C1CC1 ZINC000455828937 822733147 /nfs/dbraw/zinc/73/31/47/822733147.db2.gz MCGKZCUHIVETPJ-HXUWFJFHSA-N 1 0 395.551 4.129 20 0 GIADRO Cc1ccc(CCC(=O)NC2CC[NH+](C(C)(C)C)CC2)c(Br)c1 ZINC000185074506 822733383 /nfs/dbraw/zinc/73/33/83/822733383.db2.gz WNWWAHZQVNVPJL-UHFFFAOYSA-N 1 0 381.358 4.069 20 0 GIADRO CCCn1ncc(NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)c1C1CC1 ZINC000455833647 822733741 /nfs/dbraw/zinc/73/37/41/822733741.db2.gz PZEHSZZGCOHIOS-UHFFFAOYSA-N 1 0 395.551 4.204 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N[C@@H](CCO)c3ccc(Cl)cc3)ccc21 ZINC000455837626 822734606 /nfs/dbraw/zinc/73/46/06/822734606.db2.gz BPHWWDWZBKJAEV-PMACEKPBSA-N 1 0 387.911 4.134 20 0 GIADRO CCCn1ncc(NC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](CC)C2)c1C1CC1 ZINC000455838851 822734804 /nfs/dbraw/zinc/73/48/04/822734804.db2.gz WMEFMCUBBLAFQK-INIZCTEOSA-N 1 0 375.561 4.193 20 0 GIADRO CCCn1ncc(NC(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)c1C1CC1 ZINC000455840064 822734883 /nfs/dbraw/zinc/73/48/83/822734883.db2.gz XEIXVQSHKJHGMN-GOSISDBHSA-N 1 0 385.512 4.031 20 0 GIADRO Fc1ccc([C@H](Cn2cnc3ccccc32)[NH2+]CCOCC(F)(F)F)cc1 ZINC000185089407 822735444 /nfs/dbraw/zinc/73/54/44/822735444.db2.gz STIAGLMNDVAXED-KRWDZBQOSA-N 1 0 381.373 4.085 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCC[C@]4(C3)OCc3ccccc34)ccc21 ZINC000455848549 822736494 /nfs/dbraw/zinc/73/64/94/822736494.db2.gz JNIHJFCQJUQSTJ-ISKFKSNPSA-N 1 0 391.515 4.289 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CCO[C@H](CCc4ccccc4)C3)ccc21 ZINC000455849420 822736640 /nfs/dbraw/zinc/73/66/40/822736640.db2.gz KBFUGOJRCVHNBP-GGAORHGYSA-N 1 0 393.531 4.101 20 0 GIADRO CC[C@@H]([NH2+]C[C@H](O)COC(c1ccccc1)c1ccccc1)c1nccs1 ZINC000185105952 822737851 /nfs/dbraw/zinc/73/78/51/822737851.db2.gz OBSUCGCVEORUAU-VQTJNVASSA-N 1 0 382.529 4.351 20 0 GIADRO CCSCc1ccc(NC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000455855353 822737891 /nfs/dbraw/zinc/73/78/91/822737891.db2.gz IASRLUYOJMJGER-UHFFFAOYSA-N 1 0 391.581 4.048 20 0 GIADRO CCc1ccc(NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)cc1OC ZINC000455865296 822739219 /nfs/dbraw/zinc/73/92/19/822739219.db2.gz LRAPASBNUZDWHO-UHFFFAOYSA-N 1 0 387.446 4.138 20 0 GIADRO C[NH+](C)CCOc1ccccc1C(=O)Nc1ccc(Oc2ccncc2)cc1 ZINC000050805327 822739262 /nfs/dbraw/zinc/73/92/62/822739262.db2.gz PHZBPJITIBVWRD-UHFFFAOYSA-N 1 0 377.444 4.067 20 0 GIADRO COc1sc(C[NH2+]C[C@](C)(O)c2cccc(Cl)c2)cc1Br ZINC000185119545 822739512 /nfs/dbraw/zinc/73/95/12/822739512.db2.gz SYWGDTKHIJXTAJ-HNNXBMFYSA-N 1 0 390.730 4.170 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CC4(CCOCC4)c4ccccc43)ccc21 ZINC000455871712 822740480 /nfs/dbraw/zinc/74/04/80/822740480.db2.gz YKLBSPWBIWXZFO-OAQYLSRUSA-N 1 0 391.515 4.336 20 0 GIADRO CCOc1ccccc1Oc1ccc(CNCc2c[nH+]ccc2N(C)C)cn1 ZINC000185141378 822742062 /nfs/dbraw/zinc/74/20/62/822742062.db2.gz ASTXRYNMAOFZNQ-UHFFFAOYSA-N 1 0 378.476 4.023 20 0 GIADRO COc1ccc(CN(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C2CC2)cc1 ZINC000455884225 822742250 /nfs/dbraw/zinc/74/22/50/822742250.db2.gz VHKFKJNFEHIGTF-QFIPXVFZSA-N 1 0 379.504 4.441 20 0 GIADRO CN(Cc1ccccc1N1CCCC1)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455884991 822742452 /nfs/dbraw/zinc/74/24/52/822742452.db2.gz WAIXVZMPUCTNPG-HSZRJFAPSA-N 1 0 392.547 4.500 20 0 GIADRO Cc1nc2ccccc2n1CCCNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455892958 822743701 /nfs/dbraw/zinc/74/37/01/822743701.db2.gz CCCZOESFIBXWSX-OAQYLSRUSA-N 1 0 391.519 4.105 20 0 GIADRO CC(C)c1ncsc1NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000455893644 822743811 /nfs/dbraw/zinc/74/38/11/822743811.db2.gz LGYVMPSQDFTQQU-UHFFFAOYSA-N 1 0 376.501 4.192 20 0 GIADRO CCCCNC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)C1 ZINC000051060757 822745617 /nfs/dbraw/zinc/74/56/17/822745617.db2.gz IBJDCNPMUVWISZ-RBUKOAKNSA-N 1 0 387.568 4.074 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1cc2c(cc1Br)OCCO2)c1cc(F)ccc1O ZINC000185180390 822746330 /nfs/dbraw/zinc/74/63/30/822746330.db2.gz MXGKYFIFKAECBT-GHMZBOCLSA-N 1 0 396.256 4.477 20 0 GIADRO Cc1ccc(C(=O)NC2CC[NH+](Cc3ccc(F)c4cccnc34)CC2)s1 ZINC000051098282 822746451 /nfs/dbraw/zinc/74/64/51/822746451.db2.gz RLRQJIPGEHSVOI-UHFFFAOYSA-N 1 0 383.492 4.138 20 0 GIADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000185185999 822746948 /nfs/dbraw/zinc/74/69/48/822746948.db2.gz IJGMVWIFHFVWFM-DLBZAZTESA-N 1 0 380.454 4.121 20 0 GIADRO COc1ccc(C)cc1NC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132870 822747342 /nfs/dbraw/zinc/74/73/42/822747342.db2.gz KYLLXJSZTAHSLY-GREBRCKQSA-N 1 0 396.531 4.430 20 0 GIADRO C[N@@H+](CC(=O)Nc1cc(C(C)(C)C)no1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132982 822747525 /nfs/dbraw/zinc/74/75/25/822747525.db2.gz FYUNOIPRBJOMOT-DYESRHJHSA-N 1 0 385.508 4.010 20 0 GIADRO Cc1c(O)ccc2c(C[N@H+](C)C[C@H]3CCCO[C@@H]3c3ccccc3)cc(=O)oc12 ZINC000051133220 822747554 /nfs/dbraw/zinc/74/75/54/822747554.db2.gz IEVQQTJQNYJUOU-HOYKHHGWSA-N 1 0 393.483 4.407 20 0 GIADRO CCN(Cc1cccc(F)c1)C(=O)C[N@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133092 822747601 /nfs/dbraw/zinc/74/76/01/822747601.db2.gz LGVWORAKPZCUNQ-XUZZJYLKSA-N 1 0 398.522 4.274 20 0 GIADRO COc1ccc(C)cc1NC(=O)C[N@H+](C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133460 822747746 /nfs/dbraw/zinc/74/77/46/822747746.db2.gz LPNVHEFKFWWPRX-AUSIDOKSSA-N 1 0 382.504 4.042 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1ccc(OC(C)(C)C)cc1 ZINC000185212327 822749826 /nfs/dbraw/zinc/74/98/26/822749826.db2.gz RTANZUHYHJCNJH-INIZCTEOSA-N 1 0 375.534 4.259 20 0 GIADRO Cc1nc(NC(=O)N2CC[C@H]([NH+](C)C)C2)sc1Cc1cccc(Cl)c1F ZINC000455925727 822750655 /nfs/dbraw/zinc/75/06/55/822750655.db2.gz YMBJUBGKCIWZGQ-ZDUSSCGKSA-N 1 0 396.919 4.003 20 0 GIADRO CC(C)(C)OC(=O)NC[C@H]([NH2+]Cc1nc2cc(C(F)(F)F)ccc2o1)C1CC1 ZINC000185221880 822751103 /nfs/dbraw/zinc/75/11/03/822751103.db2.gz CBHSDMJEXVYTQU-AWEZNQCLSA-N 1 0 399.413 4.240 20 0 GIADRO C[C@H]1CN(C)c2ccccc2CN1C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455928063 822751124 /nfs/dbraw/zinc/75/11/24/822751124.db2.gz NUANBGUKQJXIPM-KSFYIVLOSA-N 1 0 378.520 4.108 20 0 GIADRO C[C@@H]1CN(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C[C@@H](c2ccc(F)cc2)O1 ZINC000455929960 822751444 /nfs/dbraw/zinc/75/14/44/822751444.db2.gz ONDGBXDZMLCFSH-RTOPAQNCSA-N 1 0 397.494 4.369 20 0 GIADRO COc1ccc(C[C@@H](C)C[NH+]2CCC(C(=O)Nc3ccc(C)cn3)CC2)cc1F ZINC000185239136 822753219 /nfs/dbraw/zinc/75/32/19/822753219.db2.gz YXDGINHFCFDGMW-QGZVFWFLSA-N 1 0 399.510 4.067 20 0 GIADRO C[C@@H]1CCCN(C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)[C@H]1C ZINC000455938904 822753466 /nfs/dbraw/zinc/75/34/66/822753466.db2.gz FWXPLWOUGXHXDF-CABCVRRESA-N 1 0 379.932 4.465 20 0 GIADRO CN(Cc1ccoc1)C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000455942301 822754450 /nfs/dbraw/zinc/75/44/50/822754450.db2.gz KNJDTZBUAVYRQM-UHFFFAOYSA-N 1 0 377.872 4.070 20 0 GIADRO CC(C)OCCCCNC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000455943689 822754749 /nfs/dbraw/zinc/75/47/49/822754749.db2.gz LPLBRMPQHGNWDU-UHFFFAOYSA-N 1 0 397.947 4.140 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)NCCCCOCCc3ccccc3)ccc21 ZINC000455943692 822754754 /nfs/dbraw/zinc/75/47/54/822754754.db2.gz VIUMHWUGFISIHW-QHCPKHFHSA-N 1 0 395.547 4.397 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCC3(c4ccccc4)CCOCC3)ccc21 ZINC000455943783 822754891 /nfs/dbraw/zinc/75/48/91/822754891.db2.gz VKXYYJSSYXNFTG-JOCHJYFZSA-N 1 0 393.531 4.105 20 0 GIADRO COc1ccc(C[C@H](C)NC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)cc1OC ZINC000455945534 822755367 /nfs/dbraw/zinc/75/53/67/822755367.db2.gz WEQBSALFOXRUAR-YWZLYKJASA-N 1 0 397.519 4.005 20 0 GIADRO COc1ccc(C[C@@H](C)NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)cc1OC ZINC000455945531 822755391 /nfs/dbraw/zinc/75/53/91/822755391.db2.gz WEQBSALFOXRUAR-FOIQADDNSA-N 1 0 397.519 4.005 20 0 GIADRO CC[NH+](CC)CCOc1ccc(NC(=O)NC[C@H](C)c2nc(C)cs2)cc1 ZINC000185258108 822755673 /nfs/dbraw/zinc/75/56/73/822755673.db2.gz HXUZTHXDKKKPTB-HNNXBMFYSA-N 1 0 390.553 4.097 20 0 GIADRO CN(C(=O)NCCC1=CCCCCC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000185259751 822755862 /nfs/dbraw/zinc/75/58/62/822755862.db2.gz BCFLIWSASSYZOJ-UHFFFAOYSA-N 1 0 384.568 4.011 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC3CCN(c4ccccc4)CC3)ccc21 ZINC000455949798 822756548 /nfs/dbraw/zinc/75/65/48/822756548.db2.gz ZFKSAIGFAVSFOS-JOCHJYFZSA-N 1 0 378.520 4.026 20 0 GIADRO C[C@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)c1ccc(SC(F)F)cc1 ZINC000185271353 822757592 /nfs/dbraw/zinc/75/75/92/822757592.db2.gz FZVDGQMJVQJJKH-ZDUSSCGKSA-N 1 0 397.466 4.223 20 0 GIADRO C[C@@H]([NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1nc(C2CCCCC2)no1 ZINC000185273685 822757911 /nfs/dbraw/zinc/75/79/11/822757911.db2.gz DRHMONRQTCAQND-HUUCEWRRSA-N 1 0 378.517 4.025 20 0 GIADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000455963633 822757929 /nfs/dbraw/zinc/75/79/29/822757929.db2.gz BFJAMLAUULRTMD-IAQYHMDHSA-N 1 0 386.721 4.193 20 0 GIADRO O=[N+]([O-])c1ccc(C[NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)cc1Cl ZINC000185286324 822759816 /nfs/dbraw/zinc/75/98/16/822759816.db2.gz UNANOGYVQPKTOU-UHFFFAOYSA-N 1 0 393.230 4.284 20 0 GIADRO COCCC(C)(C)C[NH2+]Cc1csc(N(C(C)=O)c2ccc(F)cc2)n1 ZINC000185287683 822759972 /nfs/dbraw/zinc/75/99/72/822759972.db2.gz WANGUJXZEMZMMY-UHFFFAOYSA-N 1 0 379.501 4.119 20 0 GIADRO CCC[C@@H]([NH2+]CCCNC(=O)c1cccc(Br)c1)c1cccnc1 ZINC000185290016 822760382 /nfs/dbraw/zinc/76/03/82/822760382.db2.gz DPMMHTJHDRKVFS-GOSISDBHSA-N 1 0 390.325 4.095 20 0 GIADRO CC(C)C[C@@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)c1cccs1 ZINC000185292717 822760720 /nfs/dbraw/zinc/76/07/20/822760720.db2.gz WZZNINFWEBJMOV-GOSISDBHSA-N 1 0 378.563 4.165 20 0 GIADRO Cn1ccnc1COc1ccc(C[N@@H+]2CC[C@@H](c3c(F)cccc3F)C2)cc1 ZINC000185314424 822764239 /nfs/dbraw/zinc/76/42/39/822764239.db2.gz AANCSONZCFRRHO-QGZVFWFLSA-N 1 0 383.442 4.267 20 0 GIADRO COc1ccc(C[C@@H](C)C[NH2+]CCc2nc(-c3ccccn3)cs2)cc1F ZINC000185318213 822765047 /nfs/dbraw/zinc/76/50/47/822765047.db2.gz XCQUXMKUYNXCMW-OAHLLOKOSA-N 1 0 385.508 4.364 20 0 GIADRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3ccc([N+](=O)[O-])c(Cl)c3)ccc2NC1=O ZINC000185318435 822765093 /nfs/dbraw/zinc/76/50/93/822765093.db2.gz HHZSYJKSZZNSAO-DIFFPNOSSA-N 1 0 389.839 4.209 20 0 GIADRO COc1ccc(C)cc1NC(=O)[C@@H](NC1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000174294657 822765207 /nfs/dbraw/zinc/76/52/07/822765207.db2.gz FYSGKLYBHRFVMR-QHCPKHFHSA-N 1 0 395.547 4.146 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)[C@H](C)c1cccnc1)c1ccc(C(F)(F)F)cc1 ZINC000174295589 822765542 /nfs/dbraw/zinc/76/55/42/822765542.db2.gz RWMDLGGDNICOED-BEFAXECRSA-N 1 0 393.453 4.403 20 0 GIADRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)c1sccc1Br)C1CC1 ZINC000185322046 822765756 /nfs/dbraw/zinc/76/57/56/822765756.db2.gz AMJBDFHTEDMBAT-MRXNPFEDSA-N 1 0 393.350 4.151 20 0 GIADRO Cc1cnc([C@H]([NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)C2CC2)s1 ZINC000185329821 822766881 /nfs/dbraw/zinc/76/68/81/822766881.db2.gz YKKCSRKLCWDTLG-CZUORRHYSA-N 1 0 387.332 4.239 20 0 GIADRO Cc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c(C2CC2)n1 ZINC000456017312 822766983 /nfs/dbraw/zinc/76/69/83/822766983.db2.gz QFXTZPRFYWAQCP-GGAORHGYSA-N 1 0 389.543 4.394 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)NC(c2ccc(F)cc2)c2ccc(F)cc2)CC[N@@H+]1C ZINC000174302327 822767445 /nfs/dbraw/zinc/76/74/45/822767445.db2.gz OBRLIFQOIOBTQM-QRWLVFNGSA-N 1 0 387.474 4.178 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Nc1c(F)cccc1F)c1cccc(C(F)(F)F)c1 ZINC000185343334 822768756 /nfs/dbraw/zinc/76/87/56/822768756.db2.gz ROVACBOZUVMCCL-HNNXBMFYSA-N 1 0 387.352 4.408 20 0 GIADRO Cc1ccc(C(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(C2CC2)n1 ZINC000456045184 822770457 /nfs/dbraw/zinc/77/04/57/822770457.db2.gz FMCPWTDUNCUNKA-XMMPIXPASA-N 1 0 375.516 4.006 20 0 GIADRO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC(F)F)cc2)c2ccc(F)cc2C1 ZINC000185360426 822771290 /nfs/dbraw/zinc/77/12/90/822771290.db2.gz UBARPTCJCLHDIP-LJQANCHMSA-N 1 0 378.394 4.010 20 0 GIADRO CC[C@@H](C(=O)N1CCC([NH2+]Cc2cccc(COC)c2)CC1)c1ccccc1 ZINC000174326594 822771435 /nfs/dbraw/zinc/77/14/35/822771435.db2.gz IOCSKSFTZPDFFT-HSZRJFAPSA-N 1 0 380.532 4.107 20 0 GIADRO C[NH+]1CCC(Oc2ccc(CNC(=O)[C@@H]3C[C@H]3c3cccc(Cl)c3)cc2)CC1 ZINC000456055373 822772082 /nfs/dbraw/zinc/77/20/82/822772082.db2.gz LSNNPSSPXJEVFT-FCHUYYIVSA-N 1 0 398.934 4.233 20 0 GIADRO COCc1cccc(NC(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)c1 ZINC000185367896 822772971 /nfs/dbraw/zinc/77/29/71/822772971.db2.gz YBMKOVOGWIMANU-GOSISDBHSA-N 1 0 395.425 4.276 20 0 GIADRO CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000051676449 822773237 /nfs/dbraw/zinc/77/32/37/822773237.db2.gz FPTGWUBOCYLLKP-SFTDATJTSA-N 1 0 387.568 4.060 20 0 GIADRO Cc1ccc(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)c(C2CC2)n1 ZINC000456069966 822774050 /nfs/dbraw/zinc/77/40/50/822774050.db2.gz QQAWYNWDLIJLQM-GOSISDBHSA-N 1 0 391.437 4.319 20 0 GIADRO COc1ccc(C2(CNC(=O)N(C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)CCCCC2)cc1 ZINC000174345583 822775582 /nfs/dbraw/zinc/77/55/82/822775582.db2.gz MJMLEISNTPHYHC-AZUAARDMSA-N 1 0 387.568 4.021 20 0 GIADRO C[C@H](c1ccccc1)[N@H+](C)CC(=O)NCc1cccc(COCc2ccco2)c1 ZINC000051709737 822775690 /nfs/dbraw/zinc/77/56/90/822775690.db2.gz PAQZTRKCCFXNFY-LJQANCHMSA-N 1 0 392.499 4.306 20 0 GIADRO COc1ccc([C@@H]2CCCN2C(=O)NCCC[NH+](C(C)C)C(C)C)cc1OC ZINC000174353937 822776825 /nfs/dbraw/zinc/77/68/25/822776825.db2.gz UQZOFWQBHIPXHR-IBGZPJMESA-N 1 0 391.556 4.059 20 0 GIADRO C[C@H](CCNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1cccc(C(F)(F)F)c1 ZINC000174363987 822778318 /nfs/dbraw/zinc/77/83/18/822778318.db2.gz IGULRSACESECPD-IAGOWNOFSA-N 1 0 397.485 4.326 20 0 GIADRO CCCC[C@@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)cc1)C(=O)Nc1cc(C)on1 ZINC000174369329 822779287 /nfs/dbraw/zinc/77/92/87/822779287.db2.gz GZBXPUUPNYXDBU-QFBILLFUSA-N 1 0 381.480 4.017 20 0 GIADRO O[C@@H](C[NH2+]Cc1ccc(OCC(F)F)cc1)c1cccc(C(F)(F)F)c1 ZINC000174369565 822779481 /nfs/dbraw/zinc/77/94/81/822779481.db2.gz PMJWSXBYVIWYJQ-INIZCTEOSA-N 1 0 375.337 4.173 20 0 GIADRO Cc1nc(-c2c[nH]c(C(=O)Nc3ccc4ccn(CC[NH+](C)C)c4c3)c2)cs1 ZINC000174371176 822779619 /nfs/dbraw/zinc/77/96/19/822779619.db2.gz OXJFFNRCNPOEGM-UHFFFAOYSA-N 1 0 393.516 4.215 20 0 GIADRO C[NH+](C)CCn1ccc2ccc(NC(=O)[C@H]3SCCc4ccccc43)cc21 ZINC000174371590 822779713 /nfs/dbraw/zinc/77/97/13/822779713.db2.gz DTBASDDZKHJYEX-NRFANRHFSA-N 1 0 379.529 4.172 20 0 GIADRO Cc1ccc(CNC(=O)C2CC[NH+](Cc3cccc(OC(C)C)c3)CC2)cc1F ZINC000051880233 822781683 /nfs/dbraw/zinc/78/16/83/822781683.db2.gz HIPJXSNUXLBYSB-UHFFFAOYSA-N 1 0 398.522 4.450 20 0 GIADRO CC[C@H](NC(=O)NC[C@H](C)[NH+]1CCC(C)CC1)c1nc(C(F)(F)F)cs1 ZINC000174386265 822781811 /nfs/dbraw/zinc/78/18/11/822781811.db2.gz BVBFBDHCYWJEHL-STQMWFEESA-N 1 0 392.491 4.033 20 0 GIADRO O=C(NCc1ccccc1)C1CC[NH+](Cc2ccc(Cl)c3cccnc23)CC1 ZINC000051954818 822783604 /nfs/dbraw/zinc/78/36/04/822783604.db2.gz OSPSUTYPNXVVEI-UHFFFAOYSA-N 1 0 393.918 4.417 20 0 GIADRO COc1ccc(F)c(NC(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)c1 ZINC000185445842 822785009 /nfs/dbraw/zinc/78/50/09/822785009.db2.gz FYVXFXJRALSLJR-KRWDZBQOSA-N 1 0 399.388 4.278 20 0 GIADRO Cc1ccc(OCc2nc(CN3CCC([NH+]4CCCCC4)CC3)cs2)cc1 ZINC000052005394 822786392 /nfs/dbraw/zinc/78/63/92/822786392.db2.gz XUOZKTJTBFTTBS-UHFFFAOYSA-N 1 0 385.577 4.481 20 0 GIADRO C[C@H](O)c1ccc(C[NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)cc1 ZINC000174409367 822786447 /nfs/dbraw/zinc/78/64/47/822786447.db2.gz LSXZEUIFBNTIAC-MGPUTAFESA-N 1 0 375.896 4.241 20 0 GIADRO C[C@H](c1ccsc1)N1CC[NH+](CCC(=O)Nc2ccccc2Cl)CC1 ZINC000185461032 822787035 /nfs/dbraw/zinc/78/70/35/822787035.db2.gz XAFYLUIRGWIJQZ-OAHLLOKOSA-N 1 0 377.941 4.109 20 0 GIADRO COCCC(C)(C)CNC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000185462821 822787199 /nfs/dbraw/zinc/78/71/99/822787199.db2.gz GEKLJSMWJNWDQB-UHFFFAOYSA-N 1 0 397.563 4.277 20 0 GIADRO CCSCc1cc(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)no1 ZINC000185467475 822787696 /nfs/dbraw/zinc/78/76/96/822787696.db2.gz CKVVPSBNYCMQGI-UHFFFAOYSA-N 1 0 391.562 4.037 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000456197772 822787686 /nfs/dbraw/zinc/78/76/86/822787686.db2.gz JHUMCEJCGFGQJO-UHFFFAOYSA-N 1 0 382.508 4.181 20 0 GIADRO Cc1ccc(C(=O)NC(C)(C)CCC[NH+](C)C)cc1NC(=O)c1ccccc1 ZINC000456207602 822788099 /nfs/dbraw/zinc/78/80/99/822788099.db2.gz SJNUUVDVPRZCJD-UHFFFAOYSA-N 1 0 381.520 4.098 20 0 GIADRO O=C(CC[NH2+]Cc1cc(Cl)ccc1OC[C@H]1CCCO1)Nc1ccccc1 ZINC000174424629 822788178 /nfs/dbraw/zinc/78/81/78/822788178.db2.gz VWQOFCXWEMZGPB-LJQANCHMSA-N 1 0 388.895 4.016 20 0 GIADRO CC(C)Oc1cccc([C@@H](O)C[NH2+][C@@H](C)c2cc(Br)ccc2O)c1 ZINC000185478453 822788775 /nfs/dbraw/zinc/78/87/75/822788775.db2.gz AMUCNPWEAUVKAJ-DJJJIMSYSA-N 1 0 394.309 4.326 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)c3ccccc3OC[C@H]3CCCO3)ccc21 ZINC000456251597 822790220 /nfs/dbraw/zinc/79/02/20/822790220.db2.gz ACNJOKLECYNKCG-WIYYLYMNSA-N 1 0 380.488 4.046 20 0 GIADRO COc1cc(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)ccc1OC(F)F ZINC000456254566 822790508 /nfs/dbraw/zinc/79/05/08/822790508.db2.gz BBSOGKMHGDUEEG-MRXNPFEDSA-N 1 0 376.403 4.098 20 0 GIADRO OCC[N@@H+](Cc1cnn(Cc2ccccc2)c1)CC1CCC(C(F)(F)F)CC1 ZINC000185512652 822792230 /nfs/dbraw/zinc/79/22/30/822792230.db2.gz LMGLTIYKHOZQLZ-UHFFFAOYSA-N 1 0 395.469 4.094 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)COc3cccc(Br)c3)ccc21 ZINC000456271304 822792350 /nfs/dbraw/zinc/79/23/50/822792350.db2.gz XLTCPXLMGJEYRT-GOSISDBHSA-N 1 0 389.293 4.016 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)NC2(Cc3ccccc3)CC2)[C@@H]1c1cccs1 ZINC000185518695 822792793 /nfs/dbraw/zinc/79/27/93/822792793.db2.gz MJOGGQJWAPXTRZ-AZUAARDMSA-N 1 0 383.561 4.206 20 0 GIADRO CC(=O)c1ccc(SCC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)cc1F ZINC000456282631 822793877 /nfs/dbraw/zinc/79/38/77/822793877.db2.gz SEFUPROHFNDDFS-HXUWFJFHSA-N 1 0 386.492 4.308 20 0 GIADRO Cc1ccc(CCC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c(Br)c1 ZINC000185532906 822794176 /nfs/dbraw/zinc/79/41/76/822794176.db2.gz NCSBJZWXVANOFA-KRWDZBQOSA-N 1 0 393.369 4.025 20 0 GIADRO COc1ccc(C(=O)C[C@@H](C)C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)cc1 ZINC000456284821 822794199 /nfs/dbraw/zinc/79/41/99/822794199.db2.gz UHZMIJYFZQJOBS-VFNWGFHPSA-N 1 0 380.488 4.092 20 0 GIADRO COCc1cccc(C[NH2+]C2(c3ccc(Br)cc3)CCOCC2)c1 ZINC000174469202 822794322 /nfs/dbraw/zinc/79/43/22/822794322.db2.gz VGOGOQPMTSZJJC-UHFFFAOYSA-N 1 0 390.321 4.391 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCc1ccc(Cl)cc1 ZINC000174469006 822794334 /nfs/dbraw/zinc/79/43/34/822794334.db2.gz PAYNIWKUFSGUQT-FQEVSTJZSA-N 1 0 385.939 4.046 20 0 GIADRO COc1cccc(C[NH2+]C2(c3ccc(Br)cc3)CCOCC2)c1 ZINC000174469115 822794405 /nfs/dbraw/zinc/79/44/05/822794405.db2.gz BNOCFHOHUWUHBV-UHFFFAOYSA-N 1 0 376.294 4.253 20 0 GIADRO Cc1c(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)cnn1-c1ccccc1F ZINC000456287978 822794590 /nfs/dbraw/zinc/79/45/90/822794590.db2.gz WKVGEBIRZLDCKC-HXUWFJFHSA-N 1 0 378.451 4.121 20 0 GIADRO CCOC(=O)c1cc2cc(C(=O)Nc3ccc4c(c3)CC[C@@H]4[NH+](C)C)ccc2[nH]1 ZINC000456289670 822794721 /nfs/dbraw/zinc/79/47/21/822794721.db2.gz XRPYVEWRGRJRMM-NRFANRHFSA-N 1 0 391.471 4.146 20 0 GIADRO CCOC(=O)c1cc2cc(C(=O)Nc3ccc4c(c3)CC[C@H]4[NH+](C)C)ccc2[nH]1 ZINC000456289671 822794733 /nfs/dbraw/zinc/79/47/33/822794733.db2.gz XRPYVEWRGRJRMM-OAQYLSRUSA-N 1 0 391.471 4.146 20 0 GIADRO C[C@H]([NH2+]Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)[C@@H]1COc2ccccc21 ZINC000185557073 822796120 /nfs/dbraw/zinc/79/61/20/822796120.db2.gz UIUDQFXQMFJZAK-LRDDRELGSA-N 1 0 389.377 4.410 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccccc1OC(F)F ZINC000174495670 822796824 /nfs/dbraw/zinc/79/68/24/822796824.db2.gz OXQKTMLAAHJKCT-QGZVFWFLSA-N 1 0 389.446 4.274 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)C(C)(C)Cc3nc4ccccc4[nH]3)ccc21 ZINC000456309171 822796917 /nfs/dbraw/zinc/79/69/17/822796917.db2.gz JNDPLWFINCYZSR-FQEVSTJZSA-N 1 0 376.504 4.319 20 0 GIADRO C[C@H](C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cn(C)c2ccccc12 ZINC000185569866 822797511 /nfs/dbraw/zinc/79/75/11/822797511.db2.gz GAZVYBDXDXVDLK-PZJWPPBQSA-N 1 0 389.543 4.262 20 0 GIADRO CC[C@@H](C)[C@H](C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)c1ccccc1 ZINC000174501969 822797636 /nfs/dbraw/zinc/79/76/36/822797636.db2.gz QZLULNPEEKEPKY-DVECYGJZSA-N 1 0 394.559 4.089 20 0 GIADRO C[C@@H]1CN(C(=O)c2cccc(-c3cscn3)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000456316372 822797700 /nfs/dbraw/zinc/79/77/00/822797700.db2.gz ABHZFQOWDQDRPT-SFHVURJKSA-N 1 0 391.540 4.404 20 0 GIADRO CC[C@@H](NC(=O)N[C@H](C)C[NH+]1CCCCCC1)c1nc(C(F)(F)F)cs1 ZINC000185573472 822798009 /nfs/dbraw/zinc/79/80/09/822798009.db2.gz HMDZZAXMMOLMHM-CHWSQXEVSA-N 1 0 392.491 4.177 20 0 GIADRO C[C@@H]1CN(C(=O)CCc2ccnc3ccccc23)CC[N@H+](Cc2ccccc2)C1 ZINC000456324344 822798415 /nfs/dbraw/zinc/79/84/15/822798415.db2.gz FKGBJCLAGBURKV-FQEVSTJZSA-N 1 0 387.527 4.148 20 0 GIADRO CCCOc1ccc(C(F)(F)F)cc1NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000174509320 822798652 /nfs/dbraw/zinc/79/86/52/822798652.db2.gz WDYRFZIUSCGUMD-UKRRQHHQSA-N 1 0 387.446 4.441 20 0 GIADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2csc(COc3ccc(OC)cc3)n2)C12CCC2 ZINC000174509727 822798905 /nfs/dbraw/zinc/79/89/05/822798905.db2.gz XUKZFXZTSWSZIZ-RTBURBONSA-N 1 0 388.533 4.168 20 0 GIADRO CC(C)OC(=O)C[C@H]1CCC[N@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000185581992 822798897 /nfs/dbraw/zinc/79/88/97/822798897.db2.gz KRAIXXNHCBCMBV-LJQANCHMSA-N 1 0 382.504 4.214 20 0 GIADRO C[NH+](C)Cc1cc(CNC(=O)Nc2cccc(Oc3ccccn3)c2)ccc1F ZINC000174516845 822799842 /nfs/dbraw/zinc/79/98/42/822799842.db2.gz CAYLWNFSICYYCD-UHFFFAOYSA-N 1 0 394.450 4.396 20 0 GIADRO Cc1nc(C(F)(F)F)ccc1C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000456338071 822799869 /nfs/dbraw/zinc/79/98/69/822799869.db2.gz OBNDNCUXHGYKJI-OAHLLOKOSA-N 1 0 391.437 4.003 20 0 GIADRO CCn1ccnc1[C@H](C)NC(=O)[C@@H](c1cccc(C(F)(F)F)c1)[NH+](CC)CC ZINC000456339336 822799990 /nfs/dbraw/zinc/79/99/90/822799990.db2.gz CACVJVCNGPFTQB-WMLDXEAASA-N 1 0 396.457 4.182 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(-c3ccc(OC(F)F)cc3)s2)C1 ZINC000174522823 822800444 /nfs/dbraw/zinc/80/04/44/822800444.db2.gz BYKAYVCNKFAGCD-CQSZACIVSA-N 1 0 394.487 4.430 20 0 GIADRO O=C(Nc1nnc(-c2ccsc2)s1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000052496925 822801855 /nfs/dbraw/zinc/80/18/55/822801855.db2.gz ONBQIGJSPZQKIL-UHFFFAOYSA-N 1 0 399.545 4.053 20 0 GIADRO C[C@H]([NH2+]CC(=O)N1CC[C@@H](C)Sc2ccccc21)[C@@H]1COc2ccccc21 ZINC000185610702 822802008 /nfs/dbraw/zinc/80/20/08/822802008.db2.gz LOVHJYYCLVYUAL-RYRKJORJSA-N 1 0 382.529 4.058 20 0 GIADRO O=C(c1cc(Br)ccc1Cl)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000174534072 822802336 /nfs/dbraw/zinc/80/23/36/822802336.db2.gz ZGZAVGRUURFPLG-ZDUSSCGKSA-N 1 0 385.733 4.051 20 0 GIADRO O=C(c1ccc(COc2ccccc2)cc1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000174533718 822802377 /nfs/dbraw/zinc/80/23/77/822802377.db2.gz CGPIPEXYMLTYCB-NRFANRHFSA-N 1 0 378.516 4.214 20 0 GIADRO Cc1nn(C)c(C)c1C[C@H](C)[NH2+]Cc1csc(COc2ccc(C)cc2)n1 ZINC000174544363 822803269 /nfs/dbraw/zinc/80/32/69/822803269.db2.gz VOPVWOHQAKWWCQ-HNNXBMFYSA-N 1 0 384.549 4.102 20 0 GIADRO CC(C)n1cnnc1[C@H]1CCC[N@H+](CCOc2cc(Cl)cc(Cl)c2)C1 ZINC000174552718 822804037 /nfs/dbraw/zinc/80/40/37/822804037.db2.gz WYOLRRVFSCZYDH-AWEZNQCLSA-N 1 0 383.323 4.424 20 0 GIADRO O=C(c1cc(-c2ccc(Cl)s2)on1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174555276 822804573 /nfs/dbraw/zinc/80/45/73/822804573.db2.gz SOGUWBXCKFLYFS-CYBMUJFWSA-N 1 0 379.913 4.005 20 0 GIADRO CSC1(C[NH2+]Cc2c(C)nn(Cc3ccc(F)cc3)c2Cl)CCOCC1 ZINC000174563574 822805457 /nfs/dbraw/zinc/80/54/57/822805457.db2.gz DODIWXARPITFEG-UHFFFAOYSA-N 1 0 397.947 4.034 20 0 GIADRO CCOc1cc(C[NH2+]CC2(SC)CCOCC2)ccc1OCC(F)(F)F ZINC000174563368 822805487 /nfs/dbraw/zinc/80/54/87/822805487.db2.gz ZNYWKGAUCMOVHY-UHFFFAOYSA-N 1 0 393.471 4.028 20 0 GIADRO O=[N+]([O-])c1cccc(-c2ccc(C[NH+]3CCC(O)(c4ccccc4)CC3)o2)c1 ZINC000185640837 822805750 /nfs/dbraw/zinc/80/57/50/822805750.db2.gz XWNJDODPVCFPAQ-UHFFFAOYSA-N 1 0 378.428 4.338 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)N(Cc2ccc(O)cc2)CC2CC2)[NH+]2CCCC2)o1 ZINC000174568277 822806105 /nfs/dbraw/zinc/80/61/05/822806105.db2.gz YJDHQLYPWPFJRD-OAQYLSRUSA-N 1 0 397.519 4.052 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cc(F)ccc2F)cc1OCC ZINC000052659688 822806492 /nfs/dbraw/zinc/80/64/92/822806492.db2.gz YDEVIBNLFIURCO-UONOGXRCSA-N 1 0 392.446 4.440 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cc(F)ccc2F)cc1OCC ZINC000052659687 822806567 /nfs/dbraw/zinc/80/65/67/822806567.db2.gz YDEVIBNLFIURCO-ZIAGYGMSSA-N 1 0 392.446 4.440 20 0 GIADRO CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c1c(C)nn(CC(F)(F)F)c1C)c1ccccc1 ZINC000185653120 822807033 /nfs/dbraw/zinc/80/70/33/822807033.db2.gz VMHCEBKLQXBWTD-DZGCQCFKSA-N 1 0 396.457 4.154 20 0 GIADRO C[C@@H](N[C@@H](C)C(=O)N1CCC[C@@H]1c1cccs1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185671371 822808765 /nfs/dbraw/zinc/80/87/65/822808765.db2.gz SGDXMUDCLGOCQW-DOADOZAASA-N 1 0 389.609 4.043 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1cc(Cl)cc(Cl)n1 ZINC000185677520 822809278 /nfs/dbraw/zinc/80/92/78/822809278.db2.gz OHLDKPLPRGKDND-UHFFFAOYSA-N 1 0 393.318 4.162 20 0 GIADRO CCSCc1ccc(NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)cc1 ZINC000456472533 822809352 /nfs/dbraw/zinc/80/93/52/822809352.db2.gz MQVZHKXSTYPFIB-UHFFFAOYSA-N 1 0 398.572 4.396 20 0 GIADRO CCn1c2ccccc2c2cc(NC(=O)C[N@H+](C[C@@H]3CCOC3)C3CC3)ccc21 ZINC000052752941 822809674 /nfs/dbraw/zinc/80/96/74/822809674.db2.gz STKCKGOPXMDXIB-KRWDZBQOSA-N 1 0 391.515 4.254 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)N2CCOC[C@@H]2c2ccc(F)cc2)cc1)C1CC1 ZINC000456482395 822809709 /nfs/dbraw/zinc/80/97/09/822809709.db2.gz RHWCSFYMOXJGCQ-JOCHJYFZSA-N 1 0 382.479 4.024 20 0 GIADRO COc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)ccc1OCc1ccccc1 ZINC000174600710 822810525 /nfs/dbraw/zinc/81/05/25/822810525.db2.gz GRVFVTJVSPBCHB-FRIKZZABSA-N 1 0 380.532 4.379 20 0 GIADRO Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000185691517 822810574 /nfs/dbraw/zinc/81/05/74/822810574.db2.gz LMMKGVOZGPDFNZ-UHFFFAOYSA-N 1 0 396.922 4.149 20 0 GIADRO C[C@H](CC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)C(=O)c1cccc(F)c1 ZINC000174600900 822810591 /nfs/dbraw/zinc/81/05/91/822810591.db2.gz HOOIYKXOWBGVDZ-RTBURBONSA-N 1 0 388.527 4.149 20 0 GIADRO Cc1cc(C[NH2+]C2CCC(O)(c3cccnc3)CC2)ccc1Br ZINC000185698562 822811355 /nfs/dbraw/zinc/81/13/55/822811355.db2.gz VSDOCOIMKPDKTO-UHFFFAOYSA-N 1 0 375.310 4.073 20 0 GIADRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000052825914 822812170 /nfs/dbraw/zinc/81/21/70/822812170.db2.gz UYRGCSGKPGLHAE-HXUWFJFHSA-N 1 0 395.466 4.008 20 0 GIADRO O=C(Nc1ccccc1)c1cccc(C[N@@H+]2CCNC(=O)C[C@@H]2c2ccccc2)c1 ZINC000052836985 822812497 /nfs/dbraw/zinc/81/24/97/822812497.db2.gz YLMOHMWHYMRXOC-HSZRJFAPSA-N 1 0 399.494 4.002 20 0 GIADRO C[NH+]1CCC(CC(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3s2)CC1 ZINC000456520196 822812575 /nfs/dbraw/zinc/81/25/75/822812575.db2.gz JQRCQZJDMKEKCH-FQEVSTJZSA-N 1 0 393.556 4.428 20 0 GIADRO C[NH+]1CCC(C(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3s2)CC1 ZINC000456525945 822813177 /nfs/dbraw/zinc/81/31/77/822813177.db2.gz RJWUGVJHJWNLSH-IBGZPJMESA-N 1 0 379.529 4.038 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)N3CCCC[C@@H]3c3ccc(C)o3)c2)CC1 ZINC000185714378 822813425 /nfs/dbraw/zinc/81/34/25/822813425.db2.gz IWGNKBFCHFGWBF-OAQYLSRUSA-N 1 0 396.535 4.489 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1oc(Br)cc1C)c1ccsc1 ZINC000052877892 822813850 /nfs/dbraw/zinc/81/38/50/822813850.db2.gz KNENIKXLBVFKEW-ZDUSSCGKSA-N 1 0 385.327 4.225 20 0 GIADRO COc1ccccc1[C@H](C[NH2+]Cc1cncc(Br)c1)OC(C)C ZINC000185721958 822814402 /nfs/dbraw/zinc/81/44/02/822814402.db2.gz NCZLPKJFDIPKCB-SFHVURJKSA-N 1 0 379.298 4.109 20 0 GIADRO Cn1cc(C[NH2+][C@@H]2CCCc3ccccc32)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000052916081 822815752 /nfs/dbraw/zinc/81/57/52/822815752.db2.gz WOELGQLYMAFBAB-OAQYLSRUSA-N 1 0 389.499 4.416 20 0 GIADRO CC(C)(C)OC(=O)NC1CC[NH+](Cc2c(Cl)ccc3cccnc32)CC1 ZINC000052926527 822815878 /nfs/dbraw/zinc/81/58/78/822815878.db2.gz JRANVJMUWIQPLA-UHFFFAOYSA-N 1 0 375.900 4.377 20 0 GIADRO C[N@@H+]1CC[C@H](NC(=O)Cc2nc(-c3ccc(F)cc3)cs2)[C@@H]1c1ccccc1 ZINC000185736807 822816108 /nfs/dbraw/zinc/81/61/08/822816108.db2.gz YGYPDRJTESNZNK-AVRDEDQJSA-N 1 0 395.503 4.053 20 0 GIADRO C[C@H](NCC(=O)Nc1cccc(Cl)c1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185739685 822816501 /nfs/dbraw/zinc/81/65/01/822816501.db2.gz BXIYCHGAOLLKOI-KBPBESRZSA-N 1 0 384.351 4.175 20 0 GIADRO CC(C)[NH+]1CCC(C(=O)Nc2cccc3c(Br)ccnc23)CC1 ZINC000456591234 822818500 /nfs/dbraw/zinc/81/85/00/822818500.db2.gz QBWUTIVWIOGQIZ-UHFFFAOYSA-N 1 0 376.298 4.056 20 0 GIADRO CC[N@H+](Cc1cc(=O)oc2cc(NC(C)=O)ccc12)[C@@H](C)c1ccc(F)cc1 ZINC000053088031 822821191 /nfs/dbraw/zinc/82/11/91/822821191.db2.gz XCSLQSPODCGCFV-AWEZNQCLSA-N 1 0 382.435 4.474 20 0 GIADRO CC(C)[NH+]1CCC(C(=O)NCc2ccc(OCc3ccccc3F)cc2)CC1 ZINC000185792374 822821749 /nfs/dbraw/zinc/82/17/49/822821749.db2.gz ZRZIIKINGYHISO-UHFFFAOYSA-N 1 0 384.495 4.141 20 0 GIADRO COc1ccccc1NC(=O)C[NH2+][C@H](C)[C@H](C)c1ccccc1C(F)(F)F ZINC000185799239 822822152 /nfs/dbraw/zinc/82/21/52/822822152.db2.gz DXJCUEYDLHBRNK-UONOGXRCSA-N 1 0 380.410 4.434 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)c1csc(-c2ccc(Cl)s2)n1 ZINC000456687124 822822739 /nfs/dbraw/zinc/82/27/39/822822739.db2.gz VOZHXUVOAOKPSA-UHFFFAOYSA-N 1 0 381.954 4.272 20 0 GIADRO c1csc(C[N@H+](CCCc2nc(-c3cccs3)no2)C[C@H]2CCCO2)c1 ZINC000053134006 822823023 /nfs/dbraw/zinc/82/30/23/822823023.db2.gz QHGCSNIQIFGPTF-OAHLLOKOSA-N 1 0 389.546 4.473 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CCC(=O)Nc2ccccc2C)cc1Br ZINC000174693170 822824213 /nfs/dbraw/zinc/82/42/13/822824213.db2.gz TWXBNNCWJVEAFZ-AWEZNQCLSA-N 1 0 391.309 4.446 20 0 GIADRO CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)CCc2nnc(C3CCCC3)o2)CC1 ZINC000456699447 822824269 /nfs/dbraw/zinc/82/42/69/822824269.db2.gz SLYSQSZZLHSNFD-UHFFFAOYSA-N 1 0 390.572 4.019 20 0 GIADRO COc1ccc([C@@H](CNC(=O)N(C)[C@@H](C)c2cccs2)[NH+]2CCCC2)cc1 ZINC000053235569 822827369 /nfs/dbraw/zinc/82/73/69/822827369.db2.gz IIRIDZMRGAKLSH-QFBILLFUSA-N 1 0 387.549 4.296 20 0 GIADRO COc1ccc(-c2csc(NC(=O)C3CC[NH+](C(C)C)CC3)n2)cc1F ZINC000174719098 822828047 /nfs/dbraw/zinc/82/80/47/822828047.db2.gz UXQGOKSUUFWIOW-UHFFFAOYSA-N 1 0 377.485 4.017 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Cc1coc(-c2ccccc2)n1)c1ccccc1 ZINC000053273787 822828811 /nfs/dbraw/zinc/82/88/11/822828811.db2.gz IZDBERZLWRSNHH-NRFANRHFSA-N 1 0 377.488 4.083 20 0 GIADRO CCN(CC)C(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccccc2C)cc1 ZINC000053279336 822828888 /nfs/dbraw/zinc/82/88/88/822828888.db2.gz AOILPTUUCOCHAK-JOCHJYFZSA-N 1 0 393.531 4.253 20 0 GIADRO Cc1oc(-c2cccs2)nc1CC(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000053304012 822829658 /nfs/dbraw/zinc/82/96/58/822829658.db2.gz SNTGWNCETKMHOL-GJZGRUSLSA-N 1 0 389.565 4.127 20 0 GIADRO COc1ccccc1C[C@H]([NH2+]Cc1nnc(Cc2ccccc2C)o1)C(C)C ZINC000185889799 822830245 /nfs/dbraw/zinc/83/02/45/822830245.db2.gz VBYREWXRRCNSHS-FQEVSTJZSA-N 1 0 379.504 4.334 20 0 GIADRO CC[C@H](NC(=O)NC[C@H](C(C)C)[NH+]1CCCC1)c1nc(C(F)(F)F)cs1 ZINC000174740213 822831006 /nfs/dbraw/zinc/83/10/06/822831006.db2.gz ADXRWEPYMUQNAZ-QWHCGFSZSA-N 1 0 392.491 4.033 20 0 GIADRO CC[C@H](NC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1)c1nc(C(F)(F)F)cs1 ZINC000174744224 822831311 /nfs/dbraw/zinc/83/13/11/822831311.db2.gz DPCRUOBRSGTFLI-OLZOCXBDSA-N 1 0 392.491 4.033 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)[C@@H]2CC23CCSCC3)CC1 ZINC000456792378 822831503 /nfs/dbraw/zinc/83/15/03/822831503.db2.gz OPUOKCJTALSSHQ-INIZCTEOSA-N 1 0 394.968 4.285 20 0 GIADRO COc1cc(NC(=O)CC[N@H+](C)[C@@H](C)c2cccs2)c(OC)cc1Cl ZINC000174753020 822832529 /nfs/dbraw/zinc/83/25/29/822832529.db2.gz FMMGXEQNOCLSGY-LBPRGKRZSA-N 1 0 382.913 4.440 20 0 GIADRO CCCOc1ccc(C(F)(F)F)cc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000174758660 822833382 /nfs/dbraw/zinc/83/33/82/822833382.db2.gz DGKFTXNDQWHHON-CABCVRRESA-N 1 0 385.430 4.195 20 0 GIADRO COc1ccc2oc([C@H](C)NC(=O)N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C(C)C)c(C)c2c1 ZINC000174779691 822835789 /nfs/dbraw/zinc/83/57/89/822835789.db2.gz WRNMCOUYSZEGMV-KSZLIROESA-N 1 0 399.535 4.468 20 0 GIADRO COc1ccc(C)nc1NC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000174788030 822837082 /nfs/dbraw/zinc/83/70/82/822837082.db2.gz WQJOSVXSAMCDQM-UHFFFAOYSA-N 1 0 375.472 4.283 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)Nc1cccc(-c2cc[nH]n2)c1 ZINC000185958753 822837425 /nfs/dbraw/zinc/83/74/25/822837425.db2.gz WYCIMGZADBIJLC-UHFFFAOYSA-N 1 0 377.492 4.239 20 0 GIADRO CC(C)Oc1ccc(CNC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000174796481 822838147 /nfs/dbraw/zinc/83/81/47/822838147.db2.gz OWDVLQSBUBUYLL-JOCHJYFZSA-N 1 0 395.547 4.137 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N1CC=C(c2ccc(O)cc2)CC1 ZINC000053523375 822838535 /nfs/dbraw/zinc/83/85/35/822838535.db2.gz ORSAGKPWXFQFPP-OAQYLSRUSA-N 1 0 395.503 4.011 20 0 GIADRO C[C@@H](NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000053535046 822839579 /nfs/dbraw/zinc/83/95/79/822839579.db2.gz SDOFKNXWAAIQNF-RHSMWYFYSA-N 1 0 395.425 4.496 20 0 GIADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)N[C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000053539583 822839704 /nfs/dbraw/zinc/83/97/04/822839704.db2.gz IMRUFVLPDVRNJS-DOTOQJQBSA-N 1 0 388.606 4.128 20 0 GIADRO CCc1ccc([C@@H](CNC(=O)N(C)Cc2nc3ccccc3s2)[NH+](C)C)cc1 ZINC000053540555 822839827 /nfs/dbraw/zinc/83/98/27/822839827.db2.gz HEPBQRIWQXXSDX-LJQANCHMSA-N 1 0 396.560 4.303 20 0 GIADRO COc1cc(C[NH2+][C@@H](C)c2cc(C)ccc2O)cc(Br)c1OC ZINC000185977900 822840181 /nfs/dbraw/zinc/84/01/81/822840181.db2.gz UGAMKXNLIUUZQQ-LBPRGKRZSA-N 1 0 380.282 4.331 20 0 GIADRO CN(Cc1cccc(Cl)c1)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000053548240 822840467 /nfs/dbraw/zinc/84/04/67/822840467.db2.gz JWQXUPSQPJEOGK-KRWDZBQOSA-N 1 0 377.941 4.380 20 0 GIADRO CCN(Cc1cccc(F)c1)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000053547979 822840492 /nfs/dbraw/zinc/84/04/92/822840492.db2.gz QUCHVAWTXWYCSX-SFHVURJKSA-N 1 0 375.513 4.256 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c1C ZINC000174814381 822841094 /nfs/dbraw/zinc/84/10/94/822841094.db2.gz DMDOYWKCNRXPBR-LPHOPBHVSA-N 1 0 386.540 4.072 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)NCC2(Sc3ccccc3)CCCC2)CC[N@@H+]1C ZINC000174822511 822842094 /nfs/dbraw/zinc/84/20/94/822842094.db2.gz BBNUWFSYFBLBHX-MSOLQXFVSA-N 1 0 375.582 4.216 20 0 GIADRO C[N@H+](Cc1coc(-c2ccc(F)cc2)n1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000174825240 822842346 /nfs/dbraw/zinc/84/23/46/822842346.db2.gz QRHHSEFPGYUOHH-UHFFFAOYSA-N 1 0 389.471 4.312 20 0 GIADRO COC(=O)CC[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1O)c1ccccc1 ZINC000185999658 822842483 /nfs/dbraw/zinc/84/24/83/822842483.db2.gz COXIPLONBQKWIT-GUYCJALGSA-N 1 0 392.293 4.500 20 0 GIADRO COc1ccc(NC(=O)[C@H]([NH2+]CCC[C@H]2CCCCO2)c2ccccc2)cc1 ZINC000186001821 822842739 /nfs/dbraw/zinc/84/27/39/822842739.db2.gz HVCWAJCKEMPYKH-FGZHOGPDSA-N 1 0 382.504 4.314 20 0 GIADRO COc1ccc([C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)c2ccco2)cc1 ZINC000456990344 822845035 /nfs/dbraw/zinc/84/50/35/822845035.db2.gz FMCSFCSAORQJSK-XMSQKQJNSA-N 1 0 382.504 4.148 20 0 GIADRO CCc1c2ccccc2oc1[C@H](C)[NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1 ZINC000186034438 822845827 /nfs/dbraw/zinc/84/58/27/822845827.db2.gz BOMMSMLKTFJTNX-INIZCTEOSA-N 1 0 398.528 4.386 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)N2CCC[C@@H]2c2csc(C)n2)cc1 ZINC000186036232 822846037 /nfs/dbraw/zinc/84/60/37/822846037.db2.gz WRPJIMDNVNDLMW-HXUWFJFHSA-N 1 0 386.565 4.340 20 0 GIADRO COc1cc(F)ccc1NC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000174858160 822847402 /nfs/dbraw/zinc/84/74/02/822847402.db2.gz ZNKWYPJKDKFAHF-FZKQIMNGSA-N 1 0 377.485 4.100 20 0 GIADRO CC(=O)Nc1cc(C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)ccc1F ZINC000053809988 822848862 /nfs/dbraw/zinc/84/88/62/822848862.db2.gz KAYVWSXNSLKYDA-HNNXBMFYSA-N 1 0 383.467 4.268 20 0 GIADRO CC(=O)Nc1ccc(F)c(C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000053809693 822848930 /nfs/dbraw/zinc/84/89/30/822848930.db2.gz HZMUVLPKAYNSOF-HNNXBMFYSA-N 1 0 383.467 4.268 20 0 GIADRO CN(C(=O)c1ccc2ccc(Cl)cc2n1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457062279 822848991 /nfs/dbraw/zinc/84/89/91/822848991.db2.gz AFCUUMDMVWTYRF-UHFFFAOYSA-N 1 0 399.844 4.377 20 0 GIADRO CCn1cc(CC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)c2ccccc21 ZINC000457063085 822849214 /nfs/dbraw/zinc/84/92/14/822849214.db2.gz AWVPCJADEFSQBB-UHFFFAOYSA-N 1 0 395.469 4.079 20 0 GIADRO CCc1ccccc1[C@@H]1C[C@H]1C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457070457 822850013 /nfs/dbraw/zinc/85/00/13/822850013.db2.gz OKUIMJHYVYTTJS-RBUKOAKNSA-N 1 0 382.470 4.228 20 0 GIADRO CN(C(=O)c1cc(F)c2ccccc2c1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457072599 822850047 /nfs/dbraw/zinc/85/00/47/822850047.db2.gz RPYUDHDMECKEPI-UHFFFAOYSA-N 1 0 382.401 4.468 20 0 GIADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)C1 ZINC000457078028 822850548 /nfs/dbraw/zinc/85/05/48/822850548.db2.gz AIDHOVUAJZPYJL-CQSZACIVSA-N 1 0 396.409 4.400 20 0 GIADRO CN(C(=O)c1occc1-c1ccccc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457082762 822851171 /nfs/dbraw/zinc/85/11/71/822851171.db2.gz JCYZAAWUQRXZTK-UHFFFAOYSA-N 1 0 380.410 4.435 20 0 GIADRO CN(C(=O)CSc1ccc(Cl)cc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457082717 822851179 /nfs/dbraw/zinc/85/11/79/822851179.db2.gz IWRGXLCPQNAHDZ-UHFFFAOYSA-N 1 0 394.890 4.307 20 0 GIADRO CCSc1ccc(CC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000457081933 822851195 /nfs/dbraw/zinc/85/11/95/822851195.db2.gz IJUMFNJSHGPDLB-UHFFFAOYSA-N 1 0 388.499 4.216 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)CS(=O)(=O)c1ccccc1)c1cccc(OC(F)(F)F)c1 ZINC000186100358 822851718 /nfs/dbraw/zinc/85/17/18/822851718.db2.gz QOHRTLKVSYINIX-UONOGXRCSA-N 1 0 387.423 4.098 20 0 GIADRO CCSCc1ccc(C(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000457088290 822851984 /nfs/dbraw/zinc/85/19/84/822851984.db2.gz RDBHBHHPRNUKGO-UHFFFAOYSA-N 1 0 388.499 4.429 20 0 GIADRO CN(C(=O)[C@@]1(C)CCc2ccccc2C1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457088714 822852229 /nfs/dbraw/zinc/85/22/29/822852229.db2.gz SFLCBDKTPDYOCT-FQEVSTJZSA-N 1 0 382.470 4.057 20 0 GIADRO C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@@H]2C(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)o1 ZINC000457093020 822852681 /nfs/dbraw/zinc/85/26/81/822852681.db2.gz XYYICIWEXLFWFF-IWCQGFGOSA-N 1 0 398.469 4.382 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1O)c1cn(-c2ccccc2)nn1 ZINC000186113395 822852787 /nfs/dbraw/zinc/85/27/87/822852787.db2.gz GBLHWBCTQAYACM-QWHCGFSZSA-N 1 0 387.281 4.147 20 0 GIADRO CC(C)[NH+]1CCC(C(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)CC1 ZINC000186124264 822853737 /nfs/dbraw/zinc/85/37/37/822853737.db2.gz XAEYKEZQDICBIY-UHFFFAOYSA-N 1 0 382.892 4.057 20 0 GIADRO CCOc1ccc(-c2nc(C)c(C(=O)N(C)[C@H]3CC[N@@H+](C(C)C)C3)s2)cc1 ZINC000457110061 822854007 /nfs/dbraw/zinc/85/40/07/822854007.db2.gz HNKYFMDSAOBMJA-KRWDZBQOSA-N 1 0 387.549 4.072 20 0 GIADRO CCOc1cc(C[NH2+][C@@H](c2ccccc2)C2CC2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000053954014 822854093 /nfs/dbraw/zinc/85/40/93/822854093.db2.gz HESGXJFKXGOWEN-SBUREZEXSA-N 1 0 396.531 4.182 20 0 GIADRO CCOc1cc(C[NH2+][C@H](c2ccccc2)C2CC2)ccc1O[C@H](C)C(=O)N(C)C ZINC000053954017 822854205 /nfs/dbraw/zinc/85/42/05/822854205.db2.gz HESGXJFKXGOWEN-UZUQRXQVSA-N 1 0 396.531 4.182 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1c(F)cc(F)cc1F)c1cccc(C(F)(F)F)c1 ZINC000186131103 822854318 /nfs/dbraw/zinc/85/43/18/822854318.db2.gz JHQDOQDQRMISRK-OAHLLOKOSA-N 1 0 390.327 4.155 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)Cc2ccc(-n3cccc3)cc2)CC1 ZINC000053968355 822855026 /nfs/dbraw/zinc/85/50/26/822855026.db2.gz OHJQVHNVGZRBTC-UHFFFAOYSA-N 1 0 387.527 4.109 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2cc(COC(C)(C)C)on2)CC1 ZINC000186140727 822855226 /nfs/dbraw/zinc/85/52/26/822855226.db2.gz GNNUMNTZDUXXIV-KRWDZBQOSA-N 1 0 391.556 4.106 20 0 GIADRO Cc1ccc(C(=O)CCCC(=O)Nc2ccccc2NC2CC[NH+](C)CC2)cc1 ZINC000186146052 822855541 /nfs/dbraw/zinc/85/55/41/822855541.db2.gz RFGVURXVEHGWGB-UHFFFAOYSA-N 1 0 393.531 4.493 20 0 GIADRO C[C@H]([NH2+]CCc1nnc(-c2ccccc2)o1)c1ccc(Br)cc1O ZINC000186149239 822855816 /nfs/dbraw/zinc/85/58/16/822855816.db2.gz FJNWCTMPJGWDBN-LBPRGKRZSA-N 1 0 388.265 4.098 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000174918124 822855952 /nfs/dbraw/zinc/85/59/52/822855952.db2.gz DNTIEMPAVMCNLO-LJQANCHMSA-N 1 0 390.449 4.228 20 0 GIADRO CC(C)(C)c1ccc2cc(C(=O)NC3CC[NH+](Cc4ccccn4)CC3)[nH]c2c1 ZINC000053991088 822856067 /nfs/dbraw/zinc/85/60/67/822856067.db2.gz AWWJZWUZIWWLJO-UHFFFAOYSA-N 1 0 390.531 4.255 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000174922890 822856448 /nfs/dbraw/zinc/85/64/48/822856448.db2.gz FTEFNCSITZLIGG-DFQSSKMNSA-N 1 0 384.470 4.049 20 0 GIADRO COc1ccsc1[C@@H](C)[NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1 ZINC000186164775 822857362 /nfs/dbraw/zinc/85/73/62/822857362.db2.gz PGBSFPXEBHEWDH-OAHLLOKOSA-N 1 0 396.516 4.324 20 0 GIADRO COc1cc(OC)cc(N2CC[C@@H]([NH2+]Cc3ccc(CSC(F)F)o3)C2)c1 ZINC000174930703 822857529 /nfs/dbraw/zinc/85/75/29/822857529.db2.gz CFHBEDOUWDGDTQ-CYBMUJFWSA-N 1 0 398.475 4.121 20 0 GIADRO CN(C)[C@@H](CNC(=O)c1oc2ccccc2c1C[NH+](C)C)c1ccccc1Cl ZINC000174931943 822857645 /nfs/dbraw/zinc/85/76/45/822857645.db2.gz UKLGSMCMJVSBLF-IBGZPJMESA-N 1 0 399.922 4.181 20 0 GIADRO Cc1nc(-c2ccco2)ccc1C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174934951 822857993 /nfs/dbraw/zinc/85/79/93/822857993.db2.gz LWWNFOVPYAEUKW-HXUWFJFHSA-N 1 0 389.499 4.244 20 0 GIADRO CSCCCCCNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000186177552 822858296 /nfs/dbraw/zinc/85/82/96/822858296.db2.gz IMSMFIBAIXZUBO-ICSRJNTNSA-N 1 0 377.598 4.214 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)c1ccc(-n2ccnn2)cc1 ZINC000186183357 822858779 /nfs/dbraw/zinc/85/87/79/822858779.db2.gz GZAYXKMICUKMBH-OLZOCXBDSA-N 1 0 387.281 4.147 20 0 GIADRO CSCCCCCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000186185141 822859104 /nfs/dbraw/zinc/85/91/04/822859104.db2.gz KNLJVMXHPHSHNN-LEWJYISDSA-N 1 0 389.609 4.216 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)/C=C/c1ccc2ccccc2n1 ZINC000174945118 822859333 /nfs/dbraw/zinc/85/93/33/822859333.db2.gz MLEGDEKIPRASGL-ARKBFRDHSA-N 1 0 385.511 4.229 20 0 GIADRO C[C@H](C(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1)n1cccn1 ZINC000457191860 822859696 /nfs/dbraw/zinc/85/96/96/822859696.db2.gz ASNVPTPGOAHUEE-OFNKIYASSA-N 1 0 394.563 4.128 20 0 GIADRO Cc1ncoc1C(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457193710 822859836 /nfs/dbraw/zinc/85/98/36/822859836.db2.gz IMZXYNQSNXBHQC-OAQYLSRUSA-N 1 0 381.520 4.280 20 0 GIADRO Cn1ccc(C(=O)N2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000457194652 822860022 /nfs/dbraw/zinc/86/00/22/822860022.db2.gz MYKZXJZKAZXEAS-HSZRJFAPSA-N 1 0 379.548 4.322 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cc1ccccc1C(F)(F)F ZINC000174950607 822860115 /nfs/dbraw/zinc/86/01/15/822860115.db2.gz MKGRJCHZULLMKN-SFHVURJKSA-N 1 0 390.449 4.228 20 0 GIADRO Cn1cccc1C(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457197143 822860205 /nfs/dbraw/zinc/86/02/05/822860205.db2.gz SRHMWNGKHUEDLI-QFIPXVFZSA-N 1 0 379.548 4.322 20 0 GIADRO O=C(C[C@H]1CCOC1)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457197832 822860331 /nfs/dbraw/zinc/86/03/31/822860331.db2.gz WPSMNHSGKUDOQB-GGAORHGYSA-N 1 0 384.564 4.096 20 0 GIADRO O=C(Cc1ccncc1)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457198385 822860475 /nfs/dbraw/zinc/86/04/75/822860475.db2.gz ZNFDYGWVNBEJJM-DEOSSOPVSA-N 1 0 391.559 4.308 20 0 GIADRO Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)NCCCC[N@H+](C)C3CC3)c12 ZINC000457202140 822860511 /nfs/dbraw/zinc/86/05/11/822860511.db2.gz NCHSLPGSOAGTOC-UHFFFAOYSA-N 1 0 399.583 4.222 20 0 GIADRO Cc1ccc(C[C@@H](C)C(=O)Nc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)cc1 ZINC000186203885 822860568 /nfs/dbraw/zinc/86/05/68/822860568.db2.gz PLTNPWMHLHZPIJ-GOSISDBHSA-N 1 0 381.520 4.011 20 0 GIADRO Cc1ccc(C[C@H](C)C(=O)Nc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)cc1 ZINC000186203902 822860597 /nfs/dbraw/zinc/86/05/97/822860597.db2.gz PLTNPWMHLHZPIJ-SFHVURJKSA-N 1 0 381.520 4.011 20 0 GIADRO O=C(c1ccc(Cl)cc1C(F)(F)F)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000186204481 822860804 /nfs/dbraw/zinc/86/08/04/822860804.db2.gz JVDRNGRNOWTPNQ-YVEFUNNKSA-N 1 0 386.845 4.448 20 0 GIADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000174961472 822861744 /nfs/dbraw/zinc/86/17/44/822861744.db2.gz CXUUEHLRQGSFPB-APPDUMDISA-N 1 0 391.314 4.103 20 0 GIADRO CCOc1ccc([C@H](C)NC(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000054092913 822862066 /nfs/dbraw/zinc/86/20/66/822862066.db2.gz VNZPWBIGHYFKJN-SFHVURJKSA-N 1 0 381.520 4.242 20 0 GIADRO CCOc1ccc(CN(C)C(=O)NCc2ccc(C[NH+](CC)CC)cc2)cc1 ZINC000054101828 822862424 /nfs/dbraw/zinc/86/24/24/822862424.db2.gz QAMLSATUACCRDL-UHFFFAOYSA-N 1 0 383.536 4.269 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)N(C)Cc2nc3ccccc3s2)cc1 ZINC000054101870 822862613 /nfs/dbraw/zinc/86/26/13/822862613.db2.gz GBERZNHXTKWGAV-UHFFFAOYSA-N 1 0 396.560 4.480 20 0 GIADRO CCc1oc2ccccc2c1C(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1 ZINC000186231013 822863001 /nfs/dbraw/zinc/86/30/01/822863001.db2.gz ZFMFIKZOUYQPPA-UHFFFAOYSA-N 1 0 393.487 4.446 20 0 GIADRO CCCc1noc2nc(C3CC3)cc(C(=O)N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C(C)C)c12 ZINC000174974484 822863279 /nfs/dbraw/zinc/86/32/79/822863279.db2.gz YTMHZXLQNRFXJM-SJORKVTESA-N 1 0 396.535 4.140 20 0 GIADRO CC(=O)Nc1ccc(F)c(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)c1 ZINC000054138969 822863890 /nfs/dbraw/zinc/86/38/90/822863890.db2.gz VKILVGNQWNJRJR-UHFFFAOYSA-N 1 0 383.467 4.065 20 0 GIADRO Cc1nc([C@H](C)[NH+]2CCC(Cn3cncn3)CC2)oc1-c1ccc(Cl)cc1 ZINC000186245176 822864320 /nfs/dbraw/zinc/86/43/20/822864320.db2.gz CUVXGGRSZPPWEZ-HNNXBMFYSA-N 1 0 385.899 4.368 20 0 GIADRO C[N@H+](Cc1cccc(C(=O)Nc2ccccc2)c1)Cc1ccc2c(c1)OCCO2 ZINC000054152984 822864573 /nfs/dbraw/zinc/86/45/73/822864573.db2.gz WMCNGSXZARSTPC-UHFFFAOYSA-N 1 0 388.467 4.342 20 0 GIADRO Cc1ccc(NC(=O)/C=C/c2ccc(Cl)s2)cc1NC(=O)CC[NH+](C)C ZINC000186248792 822864713 /nfs/dbraw/zinc/86/47/13/822864713.db2.gz CKJBYPVSSDFODQ-VQHVLOKHSA-N 1 0 391.924 4.252 20 0 GIADRO Cc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1NC(=O)CC[NH+](C)C ZINC000186254309 822865528 /nfs/dbraw/zinc/86/55/28/822865528.db2.gz HHZXJDPEGOIKCS-UHFFFAOYSA-N 1 0 393.409 4.156 20 0 GIADRO O=C(Nc1cccc(C[N@H+]2CC[C@H](O)CC23CCC3)c1)c1ccc(Cl)cc1 ZINC000568973264 822866767 /nfs/dbraw/zinc/86/67/67/822866767.db2.gz NLVLJKAKEXXOQI-FQEVSTJZSA-N 1 0 384.907 4.472 20 0 GIADRO Cc1ccc(NC(=O)c2cccc3ccccc32)cc1NC(=O)CC[NH+](C)C ZINC000186265836 822867052 /nfs/dbraw/zinc/86/70/52/822867052.db2.gz OXDUGQJUANDZCH-UHFFFAOYSA-N 1 0 375.472 4.291 20 0 GIADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccc(-c3ccc(Br)s3)s2)C1 ZINC000568982465 822867431 /nfs/dbraw/zinc/86/74/31/822867431.db2.gz AGNSTTQRIICDJH-GHMZBOCLSA-N 1 0 399.379 4.439 20 0 GIADRO CC[C@H](NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c1nc(C(F)(F)F)cs1 ZINC000175015015 822867445 /nfs/dbraw/zinc/86/74/45/822867445.db2.gz RTJBYMDEDRHYDJ-RYUDHWBXSA-N 1 0 394.507 4.279 20 0 GIADRO COc1cc(NC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)ccc1OC(C)C ZINC000186267845 822867581 /nfs/dbraw/zinc/86/75/81/822867581.db2.gz AHULAAUYMSERPP-IAGOWNOFSA-N 1 0 389.540 4.257 20 0 GIADRO COc1ccc([C@H](NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C2CC2)cc1 ZINC000054218559 822868697 /nfs/dbraw/zinc/86/86/97/822868697.db2.gz QLAOSDQNNPKFOT-HSZRJFAPSA-N 1 0 393.531 4.110 20 0 GIADRO C[C@@H]([NH2+]C1CC1)C(=O)Nc1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000569003080 822868759 /nfs/dbraw/zinc/86/87/59/822868759.db2.gz NRJNYQPRQXXHKF-OAHLLOKOSA-N 1 0 379.504 4.315 20 0 GIADRO COc1ccc([C@@H](NC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C2CC2)cc1 ZINC000054218610 822869000 /nfs/dbraw/zinc/86/90/00/822869000.db2.gz HENFXPNXQMVDKF-CTNGQTDRSA-N 1 0 399.560 4.344 20 0 GIADRO CC(C)c1ccc(C(=O)N2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)s1 ZINC000186277180 822869105 /nfs/dbraw/zinc/86/91/05/822869105.db2.gz LBOBXYWLTRJFFX-IAGOWNOFSA-N 1 0 378.582 4.223 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)c2ccc(N3CCCC3)c(F)c2)CC1 ZINC000175022347 822869135 /nfs/dbraw/zinc/86/91/35/822869135.db2.gz MDPHXXCXXRJMNV-UHFFFAOYSA-N 1 0 395.522 4.163 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CCCc2c[nH]c3ccccc23)C1 ZINC000054226474 822869866 /nfs/dbraw/zinc/86/98/66/822869866.db2.gz SHEFLZUPXBHKDQ-NQIIRXRSSA-N 1 0 375.516 4.442 20 0 GIADRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1 ZINC000457357212 822870011 /nfs/dbraw/zinc/87/00/11/822870011.db2.gz IYTDOLHBKCNVGK-AUUYWEPGSA-N 1 0 379.435 4.100 20 0 GIADRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)c1ccc(-c2ccc(Br)s2)s1 ZINC000457359489 822870231 /nfs/dbraw/zinc/87/02/31/822870231.db2.gz QLDPZNAMFFAURD-NXEZZACHSA-N 1 0 385.352 4.191 20 0 GIADRO [NH3+][C@H]1CN(C(=O)c2[nH]c3ccc(F)cc3c2Cl)CC[C@@H]1c1ccc(F)cc1 ZINC000457363195 822870368 /nfs/dbraw/zinc/87/03/68/822870368.db2.gz AFHSMVIRBFWUHY-ZBFHGGJFSA-N 1 0 389.833 4.057 20 0 GIADRO O=C1CCCN1[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000569021372 822870495 /nfs/dbraw/zinc/87/04/95/822870495.db2.gz WPVMZYXXUJPIFB-HDMKZQKVSA-N 1 0 381.442 4.001 20 0 GIADRO c1c(C[NH2+]CCC[C@@H]2CCCCO2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000186286519 822870808 /nfs/dbraw/zinc/87/08/08/822870808.db2.gz OMDMVXNWUXDKSF-QFIPXVFZSA-N 1 0 376.504 4.373 20 0 GIADRO CCc1cc(N2CCC([NH2+][C@@H](C)c3ccccc3Br)CC2)ncn1 ZINC000175030201 822870917 /nfs/dbraw/zinc/87/09/17/822870917.db2.gz AISALLJCVWCLMQ-AWEZNQCLSA-N 1 0 389.341 4.121 20 0 GIADRO [NH3+][C@@H]1CN(C(=O)c2ccccc2CCC(F)(F)F)CC[C@@H]1c1ccc(F)cc1 ZINC000457373632 822871160 /nfs/dbraw/zinc/87/11/60/822871160.db2.gz VJQGDEKVCJRAOU-IEBWSBKVSA-N 1 0 394.412 4.278 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(SC)c2)c(C)c1OC ZINC000569034265 822871642 /nfs/dbraw/zinc/87/16/42/822871642.db2.gz KSLGBRUXVSAHLN-HUUCEWRRSA-N 1 0 388.533 4.412 20 0 GIADRO [NH3+][C@H]1CN(C(=O)c2cc(Cl)ccc2OC(F)F)CC[C@@H]1c1ccc(F)cc1 ZINC000457380939 822871616 /nfs/dbraw/zinc/87/16/16/822871616.db2.gz OXUVXOWBKSAPKB-ZBFHGGJFSA-N 1 0 398.812 4.038 20 0 GIADRO CCCCn1ncc(NC(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c1C ZINC000569040017 822871994 /nfs/dbraw/zinc/87/19/94/822871994.db2.gz QEUYWXQFKZDRTM-NRFANRHFSA-N 1 0 397.567 4.415 20 0 GIADRO COc1ccc([C@@H]2CCN(C(=O)[C@@H](C)c3cc4ccccc4o3)C[C@H]2[NH3+])cc1F ZINC000457389246 822872237 /nfs/dbraw/zinc/87/22/37/822872237.db2.gz VXQGAIDNDCTGPZ-UCLAIMLFSA-N 1 0 396.462 4.027 20 0 GIADRO CCCCn1ncc(NC(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c1C ZINC000569040018 822872255 /nfs/dbraw/zinc/87/22/55/822872255.db2.gz QEUYWXQFKZDRTM-OAQYLSRUSA-N 1 0 397.567 4.415 20 0 GIADRO CSC[C@@H]([NH2+][C@H](C)C(=O)NCc1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000569040245 822872270 /nfs/dbraw/zinc/87/22/70/822872270.db2.gz BSFOATLCJZIOPJ-RDTXWAMCSA-N 1 0 396.478 4.404 20 0 GIADRO COc1ccc([C@H]2CCN(C(=O)c3cc(Cl)ccc3Cl)C[C@H]2[NH3+])cc1F ZINC000457390411 822872425 /nfs/dbraw/zinc/87/24/25/822872425.db2.gz XJHGRURAJDVXIS-CXAGYDPISA-N 1 0 397.277 4.098 20 0 GIADRO CC[C@@H](CC(F)F)C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000457406655 822873272 /nfs/dbraw/zinc/87/32/72/822873272.db2.gz UTIGUARLSBGYBZ-HNNXBMFYSA-N 1 0 392.412 4.421 20 0 GIADRO O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)Nc1ccc(F)cc1 ZINC000175055703 822874866 /nfs/dbraw/zinc/87/48/66/822874866.db2.gz FERNBVVDKZYDEG-UHFFFAOYSA-N 1 0 385.483 4.019 20 0 GIADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)[C@@H](C)CC(F)(F)F)CC1 ZINC000457437536 822875267 /nfs/dbraw/zinc/87/52/67/822875267.db2.gz QXKXRWYVZGLKFV-LBPRGKRZSA-N 1 0 377.838 4.009 20 0 GIADRO CC[NH+](CC)CCCC1CCN(c2ccc3nnc(-c4ccsc4)n3n2)CC1 ZINC000186318561 822875616 /nfs/dbraw/zinc/87/56/16/822875616.db2.gz WQQQLHGBZYYXFH-UHFFFAOYSA-N 1 0 398.580 4.191 20 0 GIADRO CC(C)c1cccc(CC(=O)N[C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)c1 ZINC000457449291 822875878 /nfs/dbraw/zinc/87/58/78/822875878.db2.gz PZIZSDCELIHZFC-JOCHJYFZSA-N 1 0 392.543 4.457 20 0 GIADRO CC(C)COC1CC[NH+]([C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC000054322281 822876166 /nfs/dbraw/zinc/87/61/66/822876166.db2.gz IKOVBNIYBWJWJR-FQEVSTJZSA-N 1 0 394.559 4.418 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000457451599 822876189 /nfs/dbraw/zinc/87/61/89/822876189.db2.gz RALPNUCLZRYYEC-YLJYHZDGSA-N 1 0 383.492 4.336 20 0 GIADRO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1 ZINC000569068643 822876273 /nfs/dbraw/zinc/87/62/73/822876273.db2.gz XWHUYHKUODOKCI-SFTDATJTSA-N 1 0 377.536 4.098 20 0 GIADRO C[C@H]([NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)[C@H](c1ccccc1)N(C)C ZINC000186324607 822876272 /nfs/dbraw/zinc/87/62/72/822876272.db2.gz VNKJCDDBWLLXOP-HTAPYJJXSA-N 1 0 399.966 4.226 20 0 GIADRO Cc1cccc([C@@H]2CCCN2C(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)n1 ZINC000186325442 822876325 /nfs/dbraw/zinc/87/63/25/822876325.db2.gz SOUFFUYFEGDDLF-GOTSBHOMSA-N 1 0 392.547 4.147 20 0 GIADRO COc1ccc(C[NH2+]C[C@H]2CCCO[C@@H]2C(C)C)cc1OCc1cccnc1 ZINC000175063896 822876354 /nfs/dbraw/zinc/87/63/54/822876354.db2.gz PQWBKYGCXTYBJA-NFBKMPQASA-N 1 0 384.520 4.210 20 0 GIADRO CCN(C(=O)c1cc(NC(C)=O)ccc1Cl)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186325349 822876370 /nfs/dbraw/zinc/87/63/70/822876370.db2.gz ONIKTOVTBAMQFA-LJQANCHMSA-N 1 0 399.922 4.035 20 0 GIADRO COc1ccc(C[NH2+]C[C@H]2CCCO[C@H]2C(C)C)cc1OCc1cccnc1 ZINC000175063913 822876381 /nfs/dbraw/zinc/87/63/81/822876381.db2.gz PQWBKYGCXTYBJA-OFNKIYASSA-N 1 0 384.520 4.210 20 0 GIADRO C[C@@H](NC(=O)C[NH+]1CCC2(CCC(O)CC2)CC1)c1cccc2ccccc21 ZINC000569070801 822876770 /nfs/dbraw/zinc/87/67/70/822876770.db2.gz CCPOFAQZKQWVFN-GOSISDBHSA-N 1 0 380.532 4.034 20 0 GIADRO C[C@H]([NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)[C@H](c1ccccc1)N(C)C ZINC000186327495 822876733 /nfs/dbraw/zinc/87/67/33/822876733.db2.gz CUTFFXAHUBLMFG-CMTQZCSUSA-N 1 0 375.557 4.103 20 0 GIADRO Cc1csc([C@H](NC(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)C2CC2)n1 ZINC000186327259 822876746 /nfs/dbraw/zinc/87/67/46/822876746.db2.gz NXOWDCMHIMIVHW-WOJBJXKFSA-N 1 0 398.576 4.112 20 0 GIADRO Cc1ccc(NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c(-c2nc(C3CC3)no2)c1 ZINC000175067609 822876824 /nfs/dbraw/zinc/87/68/24/822876824.db2.gz CUORGZSLLVOJAT-QGZVFWFLSA-N 1 0 397.523 4.261 20 0 GIADRO C[C@@H](CC(F)(F)F)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000457466422 822877791 /nfs/dbraw/zinc/87/77/91/822877791.db2.gz SHCZRCOELRSGLB-AWEZNQCLSA-N 1 0 385.430 4.028 20 0 GIADRO CC[NH+]1CCC(CNC(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(C)C)CC1 ZINC000569083299 822878195 /nfs/dbraw/zinc/87/81/95/822878195.db2.gz UITDYNIFDHNQGZ-SFHVURJKSA-N 1 0 385.474 4.434 20 0 GIADRO Cc1ccc(SCC(F)(F)F)c(NC(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000569090599 822879348 /nfs/dbraw/zinc/87/93/48/822879348.db2.gz FBPRLYYZXNYDKM-UONOGXRCSA-N 1 0 387.471 4.159 20 0 GIADRO CC(F)(F)c1cccc(NC(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c1 ZINC000569091144 822879377 /nfs/dbraw/zinc/87/93/77/822879377.db2.gz NOSHOBHWLQQVFD-HNAYVOBHSA-N 1 0 391.437 4.452 20 0 GIADRO COc1cccc([C@H]2C[C@H](NC(=O)NC[C@@H](c3cccs3)[NH+]3CCCC3)C2)c1 ZINC000457481071 822879781 /nfs/dbraw/zinc/87/97/81/822879781.db2.gz DKZBFSUMOWQCEP-BJLQDIEVSA-N 1 0 399.560 4.139 20 0 GIADRO C[C@H]1CC[C@@H](CCC(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)O1 ZINC000175087378 822879907 /nfs/dbraw/zinc/87/99/07/822879907.db2.gz BNBKYRXWOZFUKW-LPHOPBHVSA-N 1 0 398.469 4.087 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)c(CC(=O)N2CCc3ccccc3[C@@H]2C[NH3+])s1 ZINC000569105842 822880412 /nfs/dbraw/zinc/88/04/12/822880412.db2.gz AEMTYQVNOSZJSV-FQEVSTJZSA-N 1 0 391.540 4.054 20 0 GIADRO CC(C)(C)N1CC[C@@H]([NH2+]Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)C1=O ZINC000569120209 822881259 /nfs/dbraw/zinc/88/12/59/822881259.db2.gz RTYOOSJRQTWARS-LJQANCHMSA-N 1 0 399.922 4.081 20 0 GIADRO COc1ccccc1[C@H](C[NH2+]Cc1ccc2c(c1)COC(C)(C)O2)N1CCCC1 ZINC000186358986 822881583 /nfs/dbraw/zinc/88/15/83/822881583.db2.gz NXJFHEQVGGRPQM-NRFANRHFSA-N 1 0 396.531 4.267 20 0 GIADRO COc1cc(C)c(C[C@@H](C)[NH2+]Cc2ccc(OCC(F)(F)F)nc2)cc1OC ZINC000569123589 822881665 /nfs/dbraw/zinc/88/16/65/822881665.db2.gz XTXLBPHXCPXRIJ-CQSZACIVSA-N 1 0 398.425 4.069 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)Cc3cccc(Cl)c3F)C2)s1 ZINC000569128991 822882205 /nfs/dbraw/zinc/88/22/05/822882205.db2.gz GANBXQXVLAPUAC-HNNXBMFYSA-N 1 0 394.943 4.372 20 0 GIADRO Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000175103396 822882579 /nfs/dbraw/zinc/88/25/79/822882579.db2.gz FTKQQUFTLQULPD-AABGKKOBSA-N 1 0 383.561 4.218 20 0 GIADRO CC[C@@H](CC(F)F)C(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000457504950 822883013 /nfs/dbraw/zinc/88/30/13/822883013.db2.gz SXCPOCGHVZVAQE-AWEZNQCLSA-N 1 0 380.401 4.277 20 0 GIADRO C[C@H]([NH2+]Cc1ccc2c(c1)COC(C)(C)O2)c1ccc(N2CCCC2=O)cc1 ZINC000186371091 822883331 /nfs/dbraw/zinc/88/33/31/822883331.db2.gz IMFIEJIGKLYPSP-INIZCTEOSA-N 1 0 380.488 4.309 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+](C)Cc1ccccc1C ZINC000054425113 822883795 /nfs/dbraw/zinc/88/37/95/822883795.db2.gz MSRHZTZVBAIUCY-UHFFFAOYSA-N 1 0 376.504 4.258 20 0 GIADRO CC(C)C[C@H]1OCCC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000186375116 822884202 /nfs/dbraw/zinc/88/42/02/822884202.db2.gz KIUZHIFZCNSKTR-HZPDHXFCSA-N 1 0 392.849 4.481 20 0 GIADRO Cc1ccccc1CN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(N2CCCC2)c1 ZINC000569152482 822884446 /nfs/dbraw/zinc/88/44/46/822884446.db2.gz AMRVKCUTAHBSFF-VQTJNVASSA-N 1 0 379.548 4.293 20 0 GIADRO CCC[N@H+](CC[S@](=O)c1cc(Cl)ccc1Cl)C[C@@H]1CCCCO1 ZINC000569150436 822884579 /nfs/dbraw/zinc/88/45/79/822884579.db2.gz SLLGZFSVDJBVMO-WNSKOXEYSA-N 1 0 378.365 4.382 20 0 GIADRO C[N@H+](CCNC(=O)Nc1cccc(COCc2ccco2)c1)Cc1ccccc1 ZINC000054435378 822885440 /nfs/dbraw/zinc/88/54/40/822885440.db2.gz MIRQKWIDQQEEOE-UHFFFAOYSA-N 1 0 393.487 4.250 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)N[C@@H](c1ccco1)c1ccccc1 ZINC000457523770 822885511 /nfs/dbraw/zinc/88/55/11/822885511.db2.gz ODZLLRYBKUYAGP-HXUWFJFHSA-N 1 0 383.517 4.204 20 0 GIADRO O=C(COCc1cccc(Cl)c1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000457525913 822885832 /nfs/dbraw/zinc/88/58/32/822885832.db2.gz VZOQHEWPYOCQLX-UHFFFAOYSA-N 1 0 390.936 4.044 20 0 GIADRO CC[C@@H](NC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)c1ccncc1 ZINC000175121017 822886297 /nfs/dbraw/zinc/88/62/97/822886297.db2.gz IBZQLKDRDYPJBA-PGRDOPGGSA-N 1 0 380.536 4.407 20 0 GIADRO C[C@@H]1CN(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)CCC1(F)F ZINC000569165482 822887037 /nfs/dbraw/zinc/88/70/37/822887037.db2.gz QWYZVOBSHOHGRT-DLBZAZTESA-N 1 0 379.495 4.105 20 0 GIADRO C[C@H](CC(F)(F)F)C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC000457534193 822887128 /nfs/dbraw/zinc/88/71/28/822887128.db2.gz NVAWYEJRXJPIER-CQSZACIVSA-N 1 0 385.430 4.028 20 0 GIADRO CCC(=O)Nc1ccc(NC(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)cc1 ZINC000175129032 822888541 /nfs/dbraw/zinc/88/85/41/822888541.db2.gz RPYYSZXEWXCEDI-SFHVURJKSA-N 1 0 394.519 4.163 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)Nc2cn(C)nc2C2CCCCC2)[NH+](C)C)cc1 ZINC000569192965 822891195 /nfs/dbraw/zinc/89/11/95/822891195.db2.gz MPOVUVXVXHSMDV-HXUWFJFHSA-N 1 0 383.540 4.201 20 0 GIADRO CC(C)(Cc1ccc(Cl)cc1)C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000457562711 822891708 /nfs/dbraw/zinc/89/17/08/822891708.db2.gz GFHKQVWHUFTSAO-UHFFFAOYSA-N 1 0 385.939 4.085 20 0 GIADRO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H](c2ccccc2)c2ccc(OCC)cc2)C1 ZINC000054511661 822891752 /nfs/dbraw/zinc/89/17/52/822891752.db2.gz YGRKJPFECSURHI-XXBNENTESA-N 1 0 395.547 4.206 20 0 GIADRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)Nc1ccc([C@H]2CCOC2)cc1)[NH+](C)C ZINC000569201073 822892173 /nfs/dbraw/zinc/89/21/73/822892173.db2.gz AHNDHNHTEBVFKS-LZNRXBQRSA-N 1 0 381.520 4.312 20 0 GIADRO CN(C(=O)N[C@H](c1cccs1)C1CC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457572724 822893093 /nfs/dbraw/zinc/89/30/93/822893093.db2.gz MYTWQNSVTJOAPL-INIZCTEOSA-N 1 0 389.487 4.257 20 0 GIADRO Cc1ccc(NC(=O)CSCC(=O)c2ccc(Cl)cc2)c(C[NH+](C)C)c1 ZINC000175156535 822893999 /nfs/dbraw/zinc/89/39/99/822893999.db2.gz QKIUDYINXJXBCF-UHFFFAOYSA-N 1 0 390.936 4.265 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(OC(F)(F)F)c(Cl)c2)C1 ZINC000569219605 822894055 /nfs/dbraw/zinc/89/40/55/822894055.db2.gz VIHYHPPYJGQRFZ-LBPRGKRZSA-N 1 0 393.837 4.434 20 0 GIADRO CCc1ccc(C[NH+]2CCC(c3noc(-c4ccccc4OC)n3)CC2)nc1 ZINC000569230468 822894969 /nfs/dbraw/zinc/89/49/69/822894969.db2.gz OELFRYKHENQAGY-UHFFFAOYSA-N 1 0 378.476 4.082 20 0 GIADRO Cc1ccc(Nc2nn(CN3CC[NH+](CC4CC4)CC3)c(=S)s2)cc1C ZINC000054551143 822895031 /nfs/dbraw/zinc/89/50/31/822895031.db2.gz WDYVVDXFPDGLSZ-UHFFFAOYSA-N 1 0 389.594 4.020 20 0 GIADRO Cn1cc(C[NH2+]CC2(c3ccc(F)cc3F)CCCC2)c(-c2ccncc2)n1 ZINC000186442708 822896230 /nfs/dbraw/zinc/89/62/30/822896230.db2.gz HAYWTAGAKBKCTF-UHFFFAOYSA-N 1 0 382.458 4.362 20 0 GIADRO Cn1cc(C[NH2+]CC2(c3ccc(F)cc3F)CCCC2)c(-c2cccnc2)n1 ZINC000186443512 822896572 /nfs/dbraw/zinc/89/65/72/822896572.db2.gz XLCJPGQJQUSAIQ-UHFFFAOYSA-N 1 0 382.458 4.362 20 0 GIADRO CCC[N@H+](C)[C@H](CNC(=O)c1cnc2cnccc2c1)c1ccc(Cl)cc1 ZINC000569250457 822896746 /nfs/dbraw/zinc/89/67/46/822896746.db2.gz QWERBKSYIPMUQU-HXUWFJFHSA-N 1 0 382.895 4.096 20 0 GIADRO O=C(c1ccc(Oc2cccc(Cl)c2)cn1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000457612405 822897314 /nfs/dbraw/zinc/89/73/14/822897314.db2.gz VVQYQHISKUYAGD-KRWDZBQOSA-N 1 0 399.922 4.475 20 0 GIADRO CCn1nccc1CC[N@@H+]1CCC[C@H]1c1cc(Br)ccc1OC ZINC000569261390 822897800 /nfs/dbraw/zinc/89/78/00/822897800.db2.gz AYZXUILQYRUVGF-KRWDZBQOSA-N 1 0 378.314 4.054 20 0 GIADRO O=C(c1cnc2ccccc2c1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000457621031 822897979 /nfs/dbraw/zinc/89/79/79/822897979.db2.gz USAXZAPGHBTXKM-VWLOTQADSA-N 1 0 385.511 4.363 20 0 GIADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCc2c1cccc2-c1ccccc1 ZINC000186452586 822898082 /nfs/dbraw/zinc/89/80/82/822898082.db2.gz DWYJSOWSXWJZDP-HSZRJFAPSA-N 1 0 378.516 4.036 20 0 GIADRO CC(C)c1nc([C@@H](C)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)cs1 ZINC000186454044 822898140 /nfs/dbraw/zinc/89/81/40/822898140.db2.gz OWRONQGLJPBKSC-OAHLLOKOSA-N 1 0 386.565 4.137 20 0 GIADRO CCOC(=O)N1CC[C@H]([NH2+][C@@H](C)c2sc(-c3ccccc3F)nc2C)C1 ZINC000186463900 822899503 /nfs/dbraw/zinc/89/95/03/822899503.db2.gz PZISPMMNOFKKMI-JSGCOSHPSA-N 1 0 377.485 4.139 20 0 GIADRO C[C@@H](Cc1cccc(F)c1)N(C)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000457641859 822900227 /nfs/dbraw/zinc/90/02/27/822900227.db2.gz SXCQQJCQDZFKBB-IBGZPJMESA-N 1 0 397.538 4.105 20 0 GIADRO O=C(c1cnc2ccccc2c1)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000457647867 822901063 /nfs/dbraw/zinc/90/10/63/822901063.db2.gz IPCDNBIGHKIBOE-ZJSXRUAMSA-N 1 0 385.511 4.362 20 0 GIADRO CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]CCc1nn(C)c2ccccc12 ZINC000186476690 822901567 /nfs/dbraw/zinc/90/15/67/822901567.db2.gz BHYNBONUPLDGSM-QGZVFWFLSA-N 1 0 378.520 4.246 20 0 GIADRO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)[C@@H](C)CC(F)(F)F ZINC000457652736 822901666 /nfs/dbraw/zinc/90/16/66/822901666.db2.gz AUJUJBTZGXPVSY-YOEHRIQHSA-N 1 0 394.441 4.166 20 0 GIADRO Cc1ccncc1CCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000569290786 822902376 /nfs/dbraw/zinc/90/23/76/822902376.db2.gz FBFIMAPCLWDSBZ-UHFFFAOYSA-N 1 0 383.499 4.360 20 0 GIADRO CC(C)Oc1ccc([C@@H](CNC(=O)Nc2cc(C3CC3)ccn2)[NH+](C)C)cc1 ZINC000569294440 822902969 /nfs/dbraw/zinc/90/29/69/822902969.db2.gz VMBPTEXSRKRGKG-HXUWFJFHSA-N 1 0 382.508 4.171 20 0 GIADRO COc1cc(C[N@@H+]2CCSC3(CCOCC3)C2)ccc1OCc1ccccc1 ZINC000186490399 822903877 /nfs/dbraw/zinc/90/38/77/822903877.db2.gz XPCJZHLNPGAEBO-UHFFFAOYSA-N 1 0 399.556 4.372 20 0 GIADRO CSc1cccc(N(C(=O)CCC2CCOCC2)C2CC[NH+](C)CC2)c1 ZINC000175205910 822903959 /nfs/dbraw/zinc/90/39/59/822903959.db2.gz YDXFSGPWEVPBPC-UHFFFAOYSA-N 1 0 376.566 4.043 20 0 GIADRO Cn1cccc1[C@@H]1CCCCN1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000175206682 822904420 /nfs/dbraw/zinc/90/44/20/822904420.db2.gz FKEFLRWGFKBVGC-QFIPXVFZSA-N 1 0 380.536 4.058 20 0 GIADRO C[N@@H+]1CC[C@@H](CNC(=O)c2[nH]ccc2C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000457676315 822905359 /nfs/dbraw/zinc/90/53/59/822905359.db2.gz BQPXBJLFQUEYGV-LIRRHRJNSA-N 1 0 375.875 4.107 20 0 GIADRO CCc1cccc(Cc2cnc(NC(=O)NC[C@@H]3CC[N@@H+](C(C)C)C3)s2)c1 ZINC000569310124 822905431 /nfs/dbraw/zinc/90/54/31/822905431.db2.gz GJJLNPGUELXEAZ-SFHVURJKSA-N 1 0 386.565 4.148 20 0 GIADRO CCCOC[C@H](Cc1cccc(Br)c1)[NH2+][C@@H](C)c1cn(C)nc1C ZINC000186502795 822905523 /nfs/dbraw/zinc/90/55/23/822905523.db2.gz FQODJZHOEQFUCL-KSSFIOAISA-N 1 0 394.357 4.180 20 0 GIADRO O=C(c1ccoc1)N1CCC([NH2+]CC2(c3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000186507060 822906055 /nfs/dbraw/zinc/90/60/55/822906055.db2.gz YZAGAOWRIVPKTL-UHFFFAOYSA-N 1 0 392.421 4.224 20 0 GIADRO CCc1cnc(CCNC(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)s1 ZINC000175216644 822906871 /nfs/dbraw/zinc/90/68/71/822906871.db2.gz JQBMALSUVRGDHW-UHFFFAOYSA-N 1 0 397.548 4.438 20 0 GIADRO Cc1ccc([C@@H](C)NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)s1 ZINC000054729115 822907917 /nfs/dbraw/zinc/90/79/17/822907917.db2.gz MCRATWULDOIWDJ-OAHLLOKOSA-N 1 0 375.513 4.220 20 0 GIADRO O=C(NCC1(CCOCc2ccccc2)CC1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000186521500 822908065 /nfs/dbraw/zinc/90/80/65/822908065.db2.gz GVMVTGLCFRKTOS-NRFANRHFSA-N 1 0 384.564 4.144 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N1CC[C@H](c2cccnc2)C1 ZINC000569337659 822909248 /nfs/dbraw/zinc/90/92/48/822909248.db2.gz NAEBRVAOLYNHAS-NRFANRHFSA-N 1 0 378.520 4.131 20 0 GIADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)C[C@H]1CCCc2cc(OC)ccc21)c1ccco1 ZINC000569349217 822910227 /nfs/dbraw/zinc/91/02/27/822910227.db2.gz HWFPYABUWNLIAZ-CDXJDZJCSA-N 1 0 384.520 4.344 20 0 GIADRO C[N@H+](CCNC(=O)N[C@H](CC(F)(F)F)c1ccccc1)Cc1ccccc1 ZINC000054760981 822910821 /nfs/dbraw/zinc/91/08/21/822910821.db2.gz BSRCLIPTFHVWIZ-GOSISDBHSA-N 1 0 379.426 4.111 20 0 GIADRO Cc1cc([C@@H](C)NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)c(C)s1 ZINC000457723146 822910920 /nfs/dbraw/zinc/91/09/20/822910920.db2.gz DJJVPZFBOSYZQI-CYBMUJFWSA-N 1 0 391.503 4.484 20 0 GIADRO COc1cccc([C@H]2C[C@H](N(C)C(=O)NCCCC[N@@H+]3CCC[C@@H](C)C3)C2)c1 ZINC000457728624 822911559 /nfs/dbraw/zinc/91/15/59/822911559.db2.gz HEPVZYYATKLATF-HMXCVIKNSA-N 1 0 387.568 4.095 20 0 GIADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1cccc(COCc2ccco2)c1 ZINC000175241252 822911950 /nfs/dbraw/zinc/91/19/50/822911950.db2.gz YZYVNZOCZLIZPX-FQEVSTJZSA-N 1 0 385.508 4.335 20 0 GIADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)C1 ZINC000457730685 822912089 /nfs/dbraw/zinc/91/20/89/822912089.db2.gz IKCVOVBGNROIBK-WIYYLYMNSA-N 1 0 397.567 4.312 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)NCc2ccc(OC3CCCC3)cc2)cc1 ZINC000569372542 822912367 /nfs/dbraw/zinc/91/23/67/822912367.db2.gz VJRVDZPWWYNAGP-UHFFFAOYSA-N 1 0 381.520 4.069 20 0 GIADRO O=C([C@@H]1CC[N@H+](Cc2cccc(OCCCc3ccccc3)c2)C1)N1CCCC1 ZINC000569392537 822915521 /nfs/dbraw/zinc/91/55/21/822915521.db2.gz PAAACHWGRBFTBU-HSZRJFAPSA-N 1 0 392.543 4.143 20 0 GIADRO COc1ccc([C@H](Cc2ccccc2)[NH2+]Cc2ccc(Cn3cncn3)cc2)cc1 ZINC000569396493 822916241 /nfs/dbraw/zinc/91/62/41/822916241.db2.gz AHHQZKUVOIPIOT-VWLOTQADSA-N 1 0 398.510 4.409 20 0 GIADRO CN(C)C(=O)Sc1ccc(C[NH2+]C(C)(C)c2nc3ccccc3n2C)cc1 ZINC000186578082 822916474 /nfs/dbraw/zinc/91/64/74/822916474.db2.gz JEPKOQLCNWXRMF-UHFFFAOYSA-N 1 0 382.533 4.372 20 0 GIADRO Fc1ccc([C@@H](C[NH2+]CC2CCC(C(F)(F)F)CC2)N2CCOCC2)cc1 ZINC000186578330 822916759 /nfs/dbraw/zinc/91/67/59/822916759.db2.gz BUXSRIMRTYBNLP-GXOAENINSA-N 1 0 388.449 4.157 20 0 GIADRO Cc1csc([C@H](C)C[NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)n1 ZINC000186581319 822916941 /nfs/dbraw/zinc/91/69/41/822916941.db2.gz XKVKFSVXNCHETG-NEPJUHHUSA-N 1 0 396.354 4.324 20 0 GIADRO O=C(c1cccc(Cl)c1Cl)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000186584391 822917638 /nfs/dbraw/zinc/91/76/38/822917638.db2.gz TVLSWQHVUXIBBV-HNNXBMFYSA-N 1 0 378.303 4.173 20 0 GIADRO Cc1c2ccc(NC(=O)N3CC[C@H](C)[N@@H+](Cc4ccccc4)CC3)cc2nn1C ZINC000569404683 822917806 /nfs/dbraw/zinc/91/78/06/822917806.db2.gz XUQPFTXWMKWLTN-KRWDZBQOSA-N 1 0 391.519 4.010 20 0 GIADRO CCOc1cccc(C[N@H+](C)C2CCN(Cc3ncc(C)c(OC)c3C)CC2)c1 ZINC000569410816 822918602 /nfs/dbraw/zinc/91/86/02/822918602.db2.gz JZSHEFOBVLKZDH-UHFFFAOYSA-N 1 0 397.563 4.202 20 0 GIADRO Cn1cc(C[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)c(C2CCCCC2)n1 ZINC000186590465 822918994 /nfs/dbraw/zinc/91/89/94/822918994.db2.gz KNJHJYBOGOMRQH-UHFFFAOYSA-N 1 0 385.527 4.177 20 0 GIADRO COC[C@]1(C[NH2+][C@H](C)c2ccc(SC)c(OC)c2)OCCc2ccccc21 ZINC000569413401 822919215 /nfs/dbraw/zinc/91/92/15/822919215.db2.gz DNWKMBNBDOLFIK-ZHRRBRCNSA-N 1 0 387.545 4.182 20 0 GIADRO Cc1ccc(-c2n[nH]cc2C[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)cc1 ZINC000186591643 822919191 /nfs/dbraw/zinc/91/91/91/822919191.db2.gz BDCWJAUMGDXCTA-UHFFFAOYSA-N 1 0 379.479 4.094 20 0 GIADRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)N1CCC(c2ccsc2)CC1 ZINC000186590880 822919326 /nfs/dbraw/zinc/91/93/26/822919326.db2.gz CTTQSALHCBRZEU-UHFFFAOYSA-N 1 0 397.588 4.344 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1csc(-c2ccoc2)n1 ZINC000175267964 822919826 /nfs/dbraw/zinc/91/98/26/822919826.db2.gz ZWQUPEUHPVWSBR-SFHVURJKSA-N 1 0 395.528 4.387 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)[C@@H](C)c2ccc(Cl)s2)CC1 ZINC000175268530 822920095 /nfs/dbraw/zinc/92/00/95/822920095.db2.gz URFDOLHQFZWMBF-AWEZNQCLSA-N 1 0 377.941 4.286 20 0 GIADRO CC[C@H](C)C(=O)Nc1cccc(C[NH2+]Cc2cncc(Br)c2)c1 ZINC000186600609 822921546 /nfs/dbraw/zinc/92/15/46/822921546.db2.gz BGGBGYVUTOUMJC-ZDUSSCGKSA-N 1 0 376.298 4.119 20 0 GIADRO CC(C)(O)c1ccc(C[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)cc1 ZINC000186602059 822921758 /nfs/dbraw/zinc/92/17/58/822921758.db2.gz MQGZEZQMMWTZAH-UHFFFAOYSA-N 1 0 390.930 4.461 20 0 GIADRO Cc1cc2cc(C(=O)N(Cc3ccccn3)[C@H]3CCC[NH2+]CC3)oc2cc1C ZINC000186602801 822922018 /nfs/dbraw/zinc/92/20/18/822922018.db2.gz DUMSIMVFKMRFIT-FQEVSTJZSA-N 1 0 377.488 4.229 20 0 GIADRO CC1(C)OCc2cc(C[N@@H+]3CCC[C@@H](C(=O)Nc4ccccc4)C3)ccc2O1 ZINC000186603181 822922049 /nfs/dbraw/zinc/92/20/49/822922049.db2.gz ZWWLSYNAAKGAPN-GOSISDBHSA-N 1 0 380.488 4.182 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cc1c[nH]c2cc(F)ccc12 ZINC000175282732 822923659 /nfs/dbraw/zinc/92/36/59/822923659.db2.gz ONXVUUFNBMQDJQ-LJQANCHMSA-N 1 0 393.506 4.220 20 0 GIADRO CC(C)(C)c1ccc(NC(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000175283683 822924070 /nfs/dbraw/zinc/92/40/70/822924070.db2.gz RSZNWMYZXMEWTD-UHFFFAOYSA-N 1 0 395.547 4.263 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)c1sc(Cc2ccc(OC)c(OC)c2)nc1C)C(C)(C)O ZINC000569442388 822924097 /nfs/dbraw/zinc/92/40/97/822924097.db2.gz KUPDAXRGGJFMSH-UGSOOPFHSA-N 1 0 392.565 4.260 20 0 GIADRO COCc1cccc(OCC2(C[N@@H+]3CC[C@@H](n4cc(Cl)cn4)C3)CCC2)c1 ZINC000569445455 822924286 /nfs/dbraw/zinc/92/42/86/822924286.db2.gz XTWFWAKUHPXZFZ-LJQANCHMSA-N 1 0 389.927 4.179 20 0 GIADRO O=C([C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)N(CC(F)(F)F)C1CCC1 ZINC000569444777 822924370 /nfs/dbraw/zinc/92/43/70/822924370.db2.gz SEBHLUNHTICATQ-INIZCTEOSA-N 1 0 390.396 4.087 20 0 GIADRO Fc1ccc(C[NH+]2CCC(NC(=S)Nc3ccc(F)cc3F)CC2)cc1 ZINC000054954866 822924979 /nfs/dbraw/zinc/92/49/79/822924979.db2.gz SRDXPRNGPGZEBQ-UHFFFAOYSA-N 1 0 379.451 4.055 20 0 GIADRO [NH3+][C@H]1CCC[C@@H](CNC(=O)Cc2cccc(OCc3cccc(Cl)c3)c2)C1 ZINC000569449116 822924974 /nfs/dbraw/zinc/92/49/74/822924974.db2.gz OEWCZDUTBRUYLK-XLIONFOSSA-N 1 0 386.923 4.095 20 0 GIADRO COCC[C@@H](Cc1cccc(F)c1)[NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000186625536 822925473 /nfs/dbraw/zinc/92/54/73/822925473.db2.gz AZAYQDYJNQSSHU-VXKWHMMOSA-N 1 0 385.458 4.025 20 0 GIADRO CC[NH+](CC)CCCC1CCN(c2c(C(=O)[O-])c[nH+]c3ccc(OC)cc32)CC1 ZINC000569460620 822925751 /nfs/dbraw/zinc/92/57/51/822925751.db2.gz KOYVWBLORRCMNB-UHFFFAOYSA-N 1 0 399.535 4.280 20 0 GIADRO Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H](c2cnn(C)c2)c2ccc(F)cc2)c(C)c1 ZINC000186627085 822925899 /nfs/dbraw/zinc/92/58/99/822925899.db2.gz ZKQWZHMYDWKLCT-SBUREZEXSA-N 1 0 394.494 4.272 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)NCCc2c[nH]c3ccccc23)CC[N@@H+]1Cc1ccccc1 ZINC000175291349 822926294 /nfs/dbraw/zinc/92/62/94/822926294.db2.gz HMPGNCSKESVADX-WIYYLYMNSA-N 1 0 390.531 4.063 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=S)Nc1ccc(F)c(Cl)c1 ZINC000054974462 822927122 /nfs/dbraw/zinc/92/71/22/822927122.db2.gz LSQXBDFFPTVKJK-UHFFFAOYSA-N 1 0 383.895 4.379 20 0 GIADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)Nc1cccc(NC(=O)c2ccccc2)c1C ZINC000054975476 822927346 /nfs/dbraw/zinc/92/73/46/822927346.db2.gz HTZBRHMXIMHKHS-GOSISDBHSA-N 1 0 396.560 4.018 20 0 GIADRO CCOCCOCc1cccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)c1C ZINC000175301106 822929206 /nfs/dbraw/zinc/92/92/06/822929206.db2.gz INDMNONDBUTLNI-HSZRJFAPSA-N 1 0 396.531 4.151 20 0 GIADRO Cc1cc(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)nc(C(F)(F)F)n1 ZINC000186651220 822929689 /nfs/dbraw/zinc/92/96/89/822929689.db2.gz SXZWCAUPKGVYSA-UHFFFAOYSA-N 1 0 378.398 4.042 20 0 GIADRO CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000186651471 822929693 /nfs/dbraw/zinc/92/96/93/822929693.db2.gz RJWJNPBOGWGOOI-HJPURHCSSA-N 1 0 394.494 4.218 20 0 GIADRO C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+]C1CCC(S(C)(=O)=O)CC1 ZINC000569499544 822930095 /nfs/dbraw/zinc/93/00/95/822930095.db2.gz WKKOSRLROKEDCE-RAXLEYEMSA-N 1 0 375.456 4.054 20 0 GIADRO Cc1ccc(-c2noc(CCC[N@@H+]3CC[C@]4(C3)OCc3ccccc34)n2)cc1F ZINC000186655334 822930396 /nfs/dbraw/zinc/93/03/96/822930396.db2.gz BAVQMFFQGNCKJU-HSZRJFAPSA-N 1 0 393.462 4.248 20 0 GIADRO CC(C)(C)NC(=S)C(C(=O)c1ccc(Br)cc1)[n+]1ccccc1 ZINC000055015048 822931659 /nfs/dbraw/zinc/93/16/59/822931659.db2.gz ZBKBHWRXCFYSCA-UHFFFAOYSA-O 1 0 392.342 4.064 20 0 GIADRO C[C@@H](C(=O)Nc1ccccc1Br)[N@H+](C)CCc1ccc(F)cc1 ZINC000055024500 822932054 /nfs/dbraw/zinc/93/20/54/822932054.db2.gz UUUDMZRURJNQHL-ZDUSSCGKSA-N 1 0 379.273 4.090 20 0 GIADRO C[C@@H]1CN(c2ccccc2C[NH2+]CCc2ccc(OC(F)(F)F)cc2)CCO1 ZINC000569510758 822932083 /nfs/dbraw/zinc/93/20/83/822932083.db2.gz CNGXWTKWDLRALV-MRXNPFEDSA-N 1 0 394.437 4.143 20 0 GIADRO O=C(c1ccc(Cl)cc1)C(C(=S)NCc1cccs1)[n+]1ccccc1 ZINC000055027089 822932209 /nfs/dbraw/zinc/93/22/09/822932209.db2.gz YUQJGUONBWAAGW-UHFFFAOYSA-O 1 0 387.937 4.418 20 0 GIADRO CC(C)c1cccc(NC(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)c1 ZINC000175313120 822932339 /nfs/dbraw/zinc/93/23/39/822932339.db2.gz DIXNCMDHKZPDFJ-UHFFFAOYSA-N 1 0 381.520 4.088 20 0 GIADRO CCOc1ccc(CN(C)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000055047666 822934567 /nfs/dbraw/zinc/93/45/67/822934567.db2.gz AUUSZPRAKDSPDR-UHFFFAOYSA-N 1 0 395.547 4.413 20 0 GIADRO CC[N@H+](CC[S@@](=O)c1cc(Cl)ccc1Cl)[C@H]1CCOC(C)(C)C1 ZINC000569533867 822936060 /nfs/dbraw/zinc/93/60/60/822936060.db2.gz QNXREFYFNKDJTM-LFVRLGFBSA-N 1 0 378.365 4.381 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000457921282 822936303 /nfs/dbraw/zinc/93/63/03/822936303.db2.gz BXGUNVXFOZJGTJ-NVXWUHKLSA-N 1 0 398.576 4.305 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)Nc2cc(Cl)ccc2OCCOCC)CC1 ZINC000175340624 822939730 /nfs/dbraw/zinc/93/97/30/822939730.db2.gz BNBTWRLPAYTRJU-UHFFFAOYSA-N 1 0 397.947 4.093 20 0 GIADRO C[C@H](NC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O)c1cccc2ccccc21 ZINC000569557296 822939773 /nfs/dbraw/zinc/93/97/73/822939773.db2.gz CACFFXLEQZUPCZ-VAFVZNMKSA-N 1 0 380.532 4.033 20 0 GIADRO C[C@H]1CC[C@H]([NH2+]Cc2ccc(N3CCCS3(=O)=O)c(F)c2)c2ccccc21 ZINC000186706271 822941317 /nfs/dbraw/zinc/94/13/17/822941317.db2.gz SVTQFDPUOCCDAP-YWZLYKJASA-N 1 0 388.508 4.094 20 0 GIADRO COc1ccccc1[C@H]1CC[C@H](C)CN1C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000569574763 822941574 /nfs/dbraw/zinc/94/15/74/822941574.db2.gz OGJPJSBALGCIJN-HRAATJIYSA-N 1 0 379.504 4.346 20 0 GIADRO COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC000569577982 822941789 /nfs/dbraw/zinc/94/17/89/822941789.db2.gz DCBDFKFOYKRNLV-ZZNFJVAJSA-N 1 0 393.531 4.076 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)CC[N@@H+]1C ZINC000175353224 822942710 /nfs/dbraw/zinc/94/27/10/822942710.db2.gz PKEAFLUJHBLHJA-MGPUTAFESA-N 1 0 398.482 4.024 20 0 GIADRO CC[NH+](CC)CCCNC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 ZINC000055171490 822943124 /nfs/dbraw/zinc/94/31/24/822943124.db2.gz VNJQWJHBBXQXJX-UHFFFAOYSA-N 1 0 398.334 4.429 20 0 GIADRO CCc1nc2ccccc2n1C1CCN(C(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000569600724 822943517 /nfs/dbraw/zinc/94/35/17/822943517.db2.gz JQPMLDLGUCLLEW-UZUQRXQVSA-N 1 0 390.531 4.098 20 0 GIADRO CCOc1cc(C(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc(Cl)c1O ZINC000186722075 822944423 /nfs/dbraw/zinc/94/44/23/822944423.db2.gz ZYBOIJITHYOYKX-INIZCTEOSA-N 1 0 394.943 4.028 20 0 GIADRO Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000186723868 822944938 /nfs/dbraw/zinc/94/49/38/822944938.db2.gz ZLWQWXSNEWGXSV-UHFFFAOYSA-N 1 0 382.291 4.123 20 0 GIADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Nc1cc(F)c(OC)cc1C ZINC000186725575 822945157 /nfs/dbraw/zinc/94/51/57/822945157.db2.gz KVXSAFXQUBUAPS-UHFFFAOYSA-N 1 0 393.425 4.271 20 0 GIADRO COC(=O)[C@H](NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1ccc(F)cc1 ZINC000569618915 822945800 /nfs/dbraw/zinc/94/58/00/822945800.db2.gz KVTMCBCNLFLMOR-HTAPYJJXSA-N 1 0 384.495 4.062 20 0 GIADRO C[C@@H](NC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1)c1cc[nH]c(=O)c1 ZINC000457969623 822946022 /nfs/dbraw/zinc/94/60/22/822946022.db2.gz YTHJQPUCCBHJMZ-QGZVFWFLSA-N 1 0 396.535 4.112 20 0 GIADRO COc1cc(C[NH2+]CC2(O)CCC(C)(C)CC2)ccc1OCc1ccncc1 ZINC000569621817 822946325 /nfs/dbraw/zinc/94/63/25/822946325.db2.gz BLYXFNKMWYAULS-UHFFFAOYSA-N 1 0 384.520 4.090 20 0 GIADRO COc1ccc([C@@H](NC(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)c2ccc(F)cc2)cc1 ZINC000457975329 822946765 /nfs/dbraw/zinc/94/67/65/822946765.db2.gz UBLFYSMNBHQKDT-UNMCSNQZSA-N 1 0 399.510 4.048 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Nc1cc(F)c(OC)cc1C)c1ccsc1 ZINC000186731671 822946825 /nfs/dbraw/zinc/94/68/25/822946825.db2.gz DKHFIHFJZMEQKQ-QGZVFWFLSA-N 1 0 379.501 4.409 20 0 GIADRO CCOc1ccc(CCC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)cc1 ZINC000055247955 822947531 /nfs/dbraw/zinc/94/75/31/822947531.db2.gz VBTYLPVCCRAQFM-UHFFFAOYSA-N 1 0 380.532 4.061 20 0 GIADRO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@H](C)CN1CCCCCC1 ZINC000186737657 822947840 /nfs/dbraw/zinc/94/78/40/822947840.db2.gz BVLWPQRLSSUKFL-HZPDHXFCSA-N 1 0 385.474 4.277 20 0 GIADRO O=C(NC[C@H]1CC[C@@H](c2ccccc2)O1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000569635882 822948309 /nfs/dbraw/zinc/94/83/09/822948309.db2.gz NQBXRPVQVIKDGR-YADHBBJMSA-N 1 0 385.552 4.003 20 0 GIADRO CCOCc1ccc(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000175369877 822948943 /nfs/dbraw/zinc/94/89/43/822948943.db2.gz PYDJICSOBGGGIH-AUSIDOKSSA-N 1 0 395.547 4.075 20 0 GIADRO Cc1cnc([C@H](C)C[NH2+][C@H]2CCCC[C@H]2S(=O)(=O)c2ccc(C)cc2)s1 ZINC000186762010 822951160 /nfs/dbraw/zinc/95/11/60/822951160.db2.gz KLTOKLKYLJJCNZ-AYOQOUSVSA-N 1 0 392.590 4.238 20 0 GIADRO CCCc1c(NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cnn1-c1cccc(C)c1 ZINC000569660553 822951766 /nfs/dbraw/zinc/95/17/66/822951766.db2.gz SHKACKBBUXCVFC-FQEVSTJZSA-N 1 0 395.551 4.225 20 0 GIADRO CCO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3 ZINC000569663523 822952326 /nfs/dbraw/zinc/95/23/26/822952326.db2.gz LRAYJKKSQJJEPS-DDHJSBNISA-N 1 0 375.538 4.130 20 0 GIADRO C[C@@H](NC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)[C@H](C)C1CCCCC1 ZINC000175381070 822952741 /nfs/dbraw/zinc/95/27/41/822952741.db2.gz DPDXHLYQEGFXBH-ZWKOTPCHSA-N 1 0 375.557 4.490 20 0 GIADRO C[NH+](C)C1CCN(C(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)CC1 ZINC000186789553 822955683 /nfs/dbraw/zinc/95/56/83/822955683.db2.gz QYGNJSWOSXPDCQ-UHFFFAOYSA-N 1 0 382.382 4.011 20 0 GIADRO COc1cncc(/C=C\CC[NH2+][C@H]2CCN(Cc3ccccc3)CC2(C)C)c1 ZINC000569689995 822955717 /nfs/dbraw/zinc/95/57/17/822955717.db2.gz CZHXFBMIZQSDHJ-TZCKBEDOSA-N 1 0 379.548 4.384 20 0 GIADRO Cc1cccc2nc(C3CCN(C(=O)Nc4ccc5c(c4)C[NH2+]CC5)CC3)oc21 ZINC000569691953 822955746 /nfs/dbraw/zinc/95/57/46/822955746.db2.gz NIUHFCKTDNRZQA-UHFFFAOYSA-N 1 0 390.487 4.193 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCO2)C(=O)Nc1cc(Cl)ccc1Cl ZINC000055374978 822955753 /nfs/dbraw/zinc/95/57/53/822955753.db2.gz YMDXDMIMLLJHLT-WDEREUQCSA-N 1 0 381.259 4.400 20 0 GIADRO COc1cc(C)c(NC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1F ZINC000186797488 822957206 /nfs/dbraw/zinc/95/72/06/822957206.db2.gz BWSOYYDMUNVGFE-GOSISDBHSA-N 1 0 385.483 4.129 20 0 GIADRO CC1(C)CC[N@H+](CC(=O)Nc2ccc(Oc3nncc4ccccc43)cc2)C1 ZINC000569706806 822957627 /nfs/dbraw/zinc/95/76/27/822957627.db2.gz PMNNFQAJJLNEJW-UHFFFAOYSA-N 1 0 376.460 4.093 20 0 GIADRO COCc1c(C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)sc2cccc(F)c21 ZINC000055403302 822957784 /nfs/dbraw/zinc/95/77/84/822957784.db2.gz XIXGQANCGHXXCP-ZIAGYGMSSA-N 1 0 378.513 4.037 20 0 GIADRO O=C(C=C(C1CC1)C1CC1)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000055405505 822958161 /nfs/dbraw/zinc/95/81/61/822958161.db2.gz XCKDJWYZDQAJAC-UHFFFAOYSA-N 1 0 381.520 4.186 20 0 GIADRO O=C(Nc1ccccc1)c1cccc(C[N@@H+]2CCSC3(CCOCC3)C2)c1 ZINC000186804646 822958273 /nfs/dbraw/zinc/95/82/73/822958273.db2.gz LZNAKQOLMCFFPT-UHFFFAOYSA-N 1 0 382.529 4.037 20 0 GIADRO COc1ccc2c(c1)CCC[C@@H]2CC(=O)N(C)CCC[N@H+](C)Cc1ccco1 ZINC000569717742 822958654 /nfs/dbraw/zinc/95/86/54/822958654.db2.gz HEOHFOYMTPRNIF-LJQANCHMSA-N 1 0 384.520 4.079 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)Nc2ccc(OCC(F)(F)F)c(C)c2)CC1 ZINC000175398996 822959173 /nfs/dbraw/zinc/95/91/73/822959173.db2.gz AWTVGFAMTLMALM-UHFFFAOYSA-N 1 0 387.446 4.274 20 0 GIADRO O=C(COc1ccccc1C[NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F)N1CCCC1 ZINC000569734829 822960608 /nfs/dbraw/zinc/96/06/08/822960608.db2.gz GHQSFTAYZQADDP-SJLPKXTDSA-N 1 0 398.469 4.146 20 0 GIADRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cnc(-c4ccc(Cl)cc4)s3)[C@@H]2C1 ZINC000569735434 822960912 /nfs/dbraw/zinc/96/09/12/822960912.db2.gz YEMALKDTLSILFD-KFKAGJAMSA-N 1 0 389.952 4.200 20 0 GIADRO O=C(Nc1cccc(C[N@H+]2CC[C@@H](O)C23CCCC3)c1)c1ccccc1Cl ZINC000569754942 822964072 /nfs/dbraw/zinc/96/40/72/822964072.db2.gz XKLKNIRIKXSQLC-HXUWFJFHSA-N 1 0 384.907 4.472 20 0 GIADRO Cc1noc(C)c1CSc1ccccc1C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000458179312 822965705 /nfs/dbraw/zinc/96/57/05/822965705.db2.gz XSVSJMPEZBKWGI-KRWDZBQOSA-N 1 0 387.549 4.045 20 0 GIADRO COC(=O)COc1ccccc1[C@@H](C)[NH2+]C[C@@H](c1ccccc1)C(F)(F)F ZINC000186842875 822965961 /nfs/dbraw/zinc/96/59/61/822965961.db2.gz CQIPICASKSCHEF-PBHICJAKSA-N 1 0 381.394 4.235 20 0 GIADRO CC(C)C(=O)N1CCCC[C@H]1C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000055460188 822966153 /nfs/dbraw/zinc/96/61/53/822966153.db2.gz WBRRUAQLXMRABH-NQIIRXRSSA-N 1 0 385.552 4.037 20 0 GIADRO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]C[C@@H](c2ccccc2)C(F)(F)F)cc1 ZINC000186843648 822966212 /nfs/dbraw/zinc/96/62/12/822966212.db2.gz LVBJDZUTCCBAMO-QAPCUYQASA-N 1 0 385.451 4.093 20 0 GIADRO COc1ccc(C[C@@](C)(O)C[NH2+]Cc2ccc(C(C)(C)C)s2)cc1OC ZINC000569771200 822966592 /nfs/dbraw/zinc/96/65/92/822966592.db2.gz PMUSVHIDSUIZSN-OAQYLSRUSA-N 1 0 377.550 4.146 20 0 GIADRO CC(C)(C)OC(=O)Nc1cccc(C[N@@H+]2CCSC3(CCOCC3)C2)c1 ZINC000186847362 822966909 /nfs/dbraw/zinc/96/69/09/822966909.db2.gz UWZIPGWBTLSMLR-UHFFFAOYSA-N 1 0 378.538 4.132 20 0 GIADRO Fc1cccc(-c2noc([C@H]3CCC[N@H+](Cc4cc5cccnc5o4)C3)n2)c1 ZINC000569779903 822967992 /nfs/dbraw/zinc/96/79/92/822967992.db2.gz QIWSNGFWQOTXEQ-INIZCTEOSA-N 1 0 378.407 4.397 20 0 GIADRO Cc1ccc(Br)c(C(=O)Nc2ccc(OCC[NH+](C)C)c(C)c2)c1 ZINC000458205751 822968562 /nfs/dbraw/zinc/96/85/62/822968562.db2.gz YMNYUVXIZKKPPU-UHFFFAOYSA-N 1 0 391.309 4.259 20 0 GIADRO Cc1cc(NC(=O)[C@@H]2CCCO[C@H]2c2ccccc2)ccc1OCC[NH+](C)C ZINC000458205797 822968748 /nfs/dbraw/zinc/96/87/48/822968748.db2.gz YUNJQDACINIGEK-IRLDBZIGSA-N 1 0 382.504 4.042 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)C[N@@H+](C)[C@H](C)[C@@H](C)c2ccc(Cl)cc2)c1 ZINC000175437128 822969004 /nfs/dbraw/zinc/96/90/04/822969004.db2.gz QFUUZAYAHQWAEM-HUUCEWRRSA-N 1 0 387.911 4.361 20 0 GIADRO O=C(Nc1ccc(Cl)c(OC(F)F)c1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000569791538 822969826 /nfs/dbraw/zinc/96/98/26/822969826.db2.gz OYTADAWIOAACPY-SWLSCSKDSA-N 1 0 387.858 4.327 20 0 GIADRO C[C@@H](Cc1coc2ccccc12)[NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000569794071 822969913 /nfs/dbraw/zinc/96/99/13/822969913.db2.gz YYJSNTUUPRJGEU-KXBFYZLASA-N 1 0 390.462 4.366 20 0 GIADRO COc1cc(C(=O)N(CC[NH+](C)C)Cc2ccsc2)cc(OC)c1C(C)C ZINC000458225899 822970910 /nfs/dbraw/zinc/97/09/10/822970910.db2.gz PZUDQZWUNBILAU-UHFFFAOYSA-N 1 0 390.549 4.093 20 0 GIADRO O=C(Nc1ccc(Cl)cc1OCC(F)(F)F)[C@H]1C[NH2+]Cc2ccccc21 ZINC000569811595 822971786 /nfs/dbraw/zinc/97/17/86/822971786.db2.gz JJVJGBCACVFMLR-AWEZNQCLSA-N 1 0 384.785 4.107 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cnnc(-c3ccccc3)c2)CC1 ZINC000569830641 822974044 /nfs/dbraw/zinc/97/40/44/822974044.db2.gz OBZNDRUDCFJQLQ-GOSISDBHSA-N 1 0 386.499 4.099 20 0 GIADRO CN1C(=O)CCc2cc(C[N@H+](C)Cc3ccc(OC(F)(F)F)cc3)ccc21 ZINC000186885081 822974533 /nfs/dbraw/zinc/97/45/33/822974533.db2.gz GIKUDNXPIBLILL-UHFFFAOYSA-N 1 0 378.394 4.126 20 0 GIADRO Cc1cc(NC(=O)C2(c3ccccc3Cl)CCOCC2)ccc1C[NH+](C)C ZINC000458266132 822975505 /nfs/dbraw/zinc/97/55/05/822975505.db2.gz DOCKIQDMGKNUBL-UHFFFAOYSA-N 1 0 386.923 4.397 20 0 GIADRO Cc1ccc([C@@H]2[C@@H](C)CCC[N@@H+]2CC(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1 ZINC000569857930 822976932 /nfs/dbraw/zinc/97/69/32/822976932.db2.gz LKBNSMFIQVUSRH-MBSDFSHPSA-N 1 0 393.531 4.109 20 0 GIADRO C[C@@H](NC1CC[NH+](Cc2ccccc2)CC1)c1ncc(Br)cc1F ZINC000186904930 822977539 /nfs/dbraw/zinc/97/75/39/822977539.db2.gz CJLIWOOADBWPFF-CQSZACIVSA-N 1 0 392.316 4.298 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](c1cccc(F)c1)N(C)C)c1ncc(Br)cc1F ZINC000186906510 822977752 /nfs/dbraw/zinc/97/77/52/822977752.db2.gz XFUXOXQXDFDSHC-BZNIZROVSA-N 1 0 384.268 4.076 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)NC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000458285582 822978461 /nfs/dbraw/zinc/97/84/61/822978461.db2.gz SVTLHRBGLOZCGD-UHFFFAOYSA-N 1 0 381.442 4.011 20 0 GIADRO CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000458288091 822978622 /nfs/dbraw/zinc/97/86/22/822978622.db2.gz QAIBZAXKPZPYRN-INIZCTEOSA-N 1 0 379.508 4.333 20 0 GIADRO CCc1c(C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)cnn1Cc1ccccc1 ZINC000458289345 822979048 /nfs/dbraw/zinc/97/90/48/822979048.db2.gz QHJAMODSBWQTIS-UHFFFAOYSA-N 1 0 376.504 4.116 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)CCc1nc2c(cccc2C)[nH]1)c1ccsc1 ZINC000175480590 822979144 /nfs/dbraw/zinc/97/91/44/822979144.db2.gz AJDBCWRDMRMJKE-GOSISDBHSA-N 1 0 384.549 4.065 20 0 GIADRO CC(=O)N(c1ccc(NC(=O)c2cccc(C[NH+]3CCCC3)c2)cc1)[C@@H]1C[C@@H]1C ZINC000569881069 822979979 /nfs/dbraw/zinc/97/99/79/822979979.db2.gz XJDZXVVVKJXCNT-GAJHUEQPSA-N 1 0 391.515 4.296 20 0 GIADRO C[C@H]([NH2+]C[C@@H](c1ccco1)N1CCCCC1)c1ncc(Br)cc1F ZINC000186921470 822980441 /nfs/dbraw/zinc/98/04/41/822980441.db2.gz IXRBYCYBLWMNFB-BBRMVZONSA-N 1 0 396.304 4.454 20 0 GIADRO Cc1cc(NC(=O)CS[C@H](C)c2nc3ccccc3[nH]2)ccc1C[NH+](C)C ZINC000458308273 822981504 /nfs/dbraw/zinc/98/15/04/822981504.db2.gz DXAZDCYJCVWYQP-OAHLLOKOSA-N 1 0 382.533 4.366 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)CCc1ncc(C(C)(C)C)o1)c1ccsc1 ZINC000186928658 822982004 /nfs/dbraw/zinc/98/20/04/822982004.db2.gz BWTWQRZBYCBWGG-MRXNPFEDSA-N 1 0 377.554 4.166 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1F ZINC000458325918 822983595 /nfs/dbraw/zinc/98/35/95/822983595.db2.gz UMZYSJVUOXNILU-CHWSQXEVSA-N 1 0 376.394 4.073 20 0 GIADRO Cn1cccc1[C@@H]1CCCN1C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000175507827 822986038 /nfs/dbraw/zinc/98/60/38/822986038.db2.gz MBHKKJUQPJOIGY-KPFFTGBYSA-N 1 0 386.565 4.016 20 0 GIADRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)NC[C@H](C)[NH+](C)C ZINC000458362138 822987031 /nfs/dbraw/zinc/98/70/31/822987031.db2.gz RNXDZYUFXBKGLH-AAEUAGOBSA-N 1 0 380.945 4.082 20 0 GIADRO CCC(CC)(CNC(=O)NCc1cnc(C2CC2)o1)[NH2+][C@@H](C)c1ccccc1 ZINC000458363580 822987287 /nfs/dbraw/zinc/98/72/87/822987287.db2.gz DKMHHGQWDMKVIQ-INIZCTEOSA-N 1 0 384.524 4.261 20 0 GIADRO Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000175511962 822987581 /nfs/dbraw/zinc/98/75/81/822987581.db2.gz RKCWFGOGQPJFAQ-LJQANCHMSA-N 1 0 394.563 4.241 20 0 GIADRO C[C@@H](N[C@H](C[NH+]1CCCC1)c1ccccc1)c1ncc(Br)cc1F ZINC000186961362 822987729 /nfs/dbraw/zinc/98/77/29/822987729.db2.gz YUFLAAIDSHQPDM-RDTXWAMCSA-N 1 0 392.316 4.471 20 0 GIADRO CN(CCCc1ccccc1)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000175514089 822988226 /nfs/dbraw/zinc/98/82/26/822988226.db2.gz UUWKJBUGBGSOAF-TZIWHRDSSA-N 1 0 385.577 4.405 20 0 GIADRO CN(CCCc1ccccc1)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000175514113 822988232 /nfs/dbraw/zinc/98/82/32/822988232.db2.gz UUWKJBUGBGSOAF-PZJWPPBQSA-N 1 0 385.577 4.405 20 0 GIADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N1CC[C@@](F)(c2ccccc2)C1 ZINC000569945320 822988582 /nfs/dbraw/zinc/98/85/82/822988582.db2.gz VMZFNSJIQAHRIO-NQIIRXRSSA-N 1 0 387.524 4.165 20 0 GIADRO CCc1nc(C)c([C@@H](C)N(C)C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)s1 ZINC000175525799 822990799 /nfs/dbraw/zinc/99/07/99/822990799.db2.gz UXPKNMMNGLOZHN-DOTOQJQBSA-N 1 0 380.602 4.371 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1cccc(C(C)(F)F)c1 ZINC000186976884 822991013 /nfs/dbraw/zinc/99/10/13/822991013.db2.gz WOWAIAKFHVUDEU-BEFAXECRSA-N 1 0 388.462 4.225 20 0 GIADRO C[C@@H]([NH2+]CCc1cnn(-c2ccccc2)c1)c1ncc(Br)cc1F ZINC000186977704 822991059 /nfs/dbraw/zinc/99/10/59/822991059.db2.gz GOXSRXOEHQPOLN-CYBMUJFWSA-N 1 0 389.272 4.062 20 0 GIADRO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@@H+](C)[C@H]1CCc2ccccc21 ZINC000175529250 822991703 /nfs/dbraw/zinc/99/17/03/822991703.db2.gz LIUSLCODQFKLNV-QFIPXVFZSA-N 1 0 388.515 4.355 20 0 GIADRO Cc1nc(CCCC(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000175531881 822992099 /nfs/dbraw/zinc/99/20/99/822992099.db2.gz RUYZVBRVKWVLIZ-KRWDZBQOSA-N 1 0 385.577 4.323 20 0 GIADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CC=C(c2c[nH]c3ccc(OC)cc32)CC1 ZINC000569980376 822992728 /nfs/dbraw/zinc/99/27/28/822992728.db2.gz HISNJTNXXFTUBY-QGZVFWFLSA-N 1 0 398.551 4.096 20 0 GIADRO Cc1cnc(C(C)(C)NC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)s1 ZINC000175545304 822994720 /nfs/dbraw/zinc/99/47/20/822994720.db2.gz BIABWAIBRURRHB-MRXNPFEDSA-N 1 0 386.565 4.211 20 0 GIADRO COc1cc(NC(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)cc(OC)c1 ZINC000570011526 822996547 /nfs/dbraw/zinc/99/65/47/822996547.db2.gz GDBXXXOYFGOMRC-LJQANCHMSA-N 1 0 397.519 4.128 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cccc(C(F)(F)F)c1F ZINC000175560108 822997580 /nfs/dbraw/zinc/99/75/80/822997580.db2.gz COMISRUOUCZFLA-UHFFFAOYSA-N 1 0 380.385 4.239 20 0 GIADRO O=C(NCCCCC[NH+]1CCCCC1)N1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000175561181 822997749 /nfs/dbraw/zinc/99/77/49/822997749.db2.gz FVDIGXKPWTZIGG-MOPGFXCFSA-N 1 0 393.597 4.002 20 0 GIADRO COc1ccc(CC[C@H](C)[NH2+]Cc2ccc(OC(F)F)c(OC)c2)cc1O ZINC000570024290 822998460 /nfs/dbraw/zinc/99/84/60/822998460.db2.gz IWNCTGZKHHHUPK-ZDUSSCGKSA-N 1 0 381.419 4.122 20 0 GIADRO CN(c1ccc(NC(=O)[C@@H]2C[C@@]23CCc2ccccc23)cc1)C1CC[NH+](C)CC1 ZINC000175566753 822999019 /nfs/dbraw/zinc/99/90/19/822999019.db2.gz ZHYFTZXITUYALC-UKILVPOCSA-N 1 0 389.543 4.060 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)c2cccc(OC(F)(F)F)c2)C1 ZINC000175571078 822999924 /nfs/dbraw/zinc/99/99/24/822999924.db2.gz YXAQBZPIBGONFE-GJZGRUSLSA-N 1 0 387.446 4.020 20 0 GIADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)Nc1ccc(N(C)Cc2ccccc2)cc1 ZINC000175574366 823000662 /nfs/dbraw/zinc/00/06/62/823000662.db2.gz YYCYEZFSKGATGL-QHCPKHFHSA-N 1 0 395.547 4.055 20 0 GIADRO COCCOc1cc(C)ccc1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000055702722 823000955 /nfs/dbraw/zinc/00/09/55/823000955.db2.gz PSAIQXPEMPNIPR-UHFFFAOYSA-N 1 0 382.504 4.258 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C1CCS(=O)(=O)CC1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000187031534 823001036 /nfs/dbraw/zinc/00/10/36/823001036.db2.gz FKWGHCDYHCJFFZ-JKSUJKDBSA-N 1 0 391.508 4.482 20 0 GIADRO Cc1cnc([C@H](NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C2CC2)s1 ZINC000175586807 823002627 /nfs/dbraw/zinc/00/26/27/823002627.db2.gz YIBNJYQPPQIADX-UIAACRFSSA-N 1 0 398.576 4.255 20 0 GIADRO Cc1ccc(NC(=O)NC2CC[NH+](CCOC(C)C)CC2)cc1C(F)(F)F ZINC000175597895 823004318 /nfs/dbraw/zinc/00/43/18/823004318.db2.gz AJTYBUAXNXDHEJ-UHFFFAOYSA-N 1 0 387.446 4.025 20 0 GIADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2CCSc3cc(C)c(C)cc32)cc1 ZINC000187053828 823004332 /nfs/dbraw/zinc/00/43/32/823004332.db2.gz KNPVUEMOLIIDIX-HNAYVOBHSA-N 1 0 390.574 4.099 20 0 GIADRO COc1cc(C[NH+]2CCC(c3ccncc3)CC2)ccc1OCc1ccncc1 ZINC000570085449 823004649 /nfs/dbraw/zinc/00/46/49/823004649.db2.gz WLKUNBKYXIXMJW-UHFFFAOYSA-N 1 0 389.499 4.444 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1)c1nnc(-c2cccs2)o1 ZINC000570086665 823004716 /nfs/dbraw/zinc/00/47/16/823004716.db2.gz BOFBWUOURINVEO-UXEPBGEESA-N 1 0 390.459 4.172 20 0 GIADRO COc1ccccc1Oc1ccc(NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)cc1F ZINC000175617028 823007294 /nfs/dbraw/zinc/00/72/94/823007294.db2.gz BLLNMVDHJYLQFY-KRWDZBQOSA-N 1 0 397.450 4.105 20 0 GIADRO COc1ccccc1[C@H](CC(C)C)NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000175623015 823008557 /nfs/dbraw/zinc/00/85/57/823008557.db2.gz MQMMAPVPPAQPSC-NRFANRHFSA-N 1 0 387.568 4.300 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)N[C@H](CC(C)C)c2ccccc2OC)CC1 ZINC000175627710 823009372 /nfs/dbraw/zinc/00/93/72/823009372.db2.gz OJZWSQRVHHBKCP-HXUWFJFHSA-N 1 0 375.557 4.298 20 0 GIADRO COCCc1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000570145356 823010095 /nfs/dbraw/zinc/01/00/95/823010095.db2.gz JKSJUPLUXIHGET-WMLDXEAASA-N 1 0 398.330 4.273 20 0 GIADRO C[C@H]1C[C@@H](NC(=O)N(C)Cc2ccc(F)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000175634949 823010356 /nfs/dbraw/zinc/01/03/56/823010356.db2.gz KVQGDKZWSBAFBR-LPHOPBHVSA-N 1 0 387.474 4.159 20 0 GIADRO CC(C)(C(=O)N1CCC(CCc2ccc(O)cc2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000570153432 823010914 /nfs/dbraw/zinc/01/09/14/823010914.db2.gz DOYXUSXQLMDRLP-JOCHJYFZSA-N 1 0 380.532 4.290 20 0 GIADRO CC1(C)C[C@H](c2ccccc2)N(C(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)C1 ZINC000570156768 823011056 /nfs/dbraw/zinc/01/10/56/823011056.db2.gz LFXHYPJJHSJVKX-FCHUYYIVSA-N 1 0 377.532 4.293 20 0 GIADRO COc1cc(C2(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)CC2)ccc1C ZINC000570164964 823011607 /nfs/dbraw/zinc/01/16/07/823011607.db2.gz ZDVBAEMETHERPS-SIKLNZKXSA-N 1 0 392.543 4.062 20 0 GIADRO CC(C)c1ccc(-c2ncc(C[NH+]3CCC(N4CN=NC4=O)CC3)s2)cc1 ZINC000570173615 823012289 /nfs/dbraw/zinc/01/22/89/823012289.db2.gz LLEQOZSVCOHREY-UHFFFAOYSA-N 1 0 383.521 4.068 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)CCc2ncc(C(C)(C)C)o2)CC[N@@H+]1Cc1ccccc1 ZINC000187113794 823012479 /nfs/dbraw/zinc/01/24/79/823012479.db2.gz URLUNFYLVALVFL-QUCCMNQESA-N 1 0 397.563 4.416 20 0 GIADRO CCCO[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000175647676 823012515 /nfs/dbraw/zinc/01/25/15/823012515.db2.gz GDGQCWNSLPFRIH-CEMLEFRQSA-N 1 0 387.568 4.030 20 0 GIADRO CSCc1cnc(C[NH2+]C[C@H](c2cccc(C(F)(F)F)c2)N(C)C)s1 ZINC000570184325 823013170 /nfs/dbraw/zinc/01/31/70/823013170.db2.gz VOQJRYBLOMSATA-OAHLLOKOSA-N 1 0 389.512 4.417 20 0 GIADRO O=C(Nc1cccc2c1CC[NH2+]C2)N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000570183917 823013230 /nfs/dbraw/zinc/01/32/30/823013230.db2.gz AGWKVKIQVQUTMH-JCNLHEQBSA-N 1 0 389.421 4.419 20 0 GIADRO COCCOc1ccc(C[NH2+]Cc2cc(-c3ccncc3)ccc2OC)cc1 ZINC000187121604 823013718 /nfs/dbraw/zinc/01/37/18/823013718.db2.gz RUOXKDVUBLCSDU-UHFFFAOYSA-N 1 0 378.472 4.072 20 0 GIADRO O=C(NCCc1csc(-c2ccccc2)n1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000175656570 823014057 /nfs/dbraw/zinc/01/40/57/823014057.db2.gz KMXSSXQCRSSNNR-FQEVSTJZSA-N 1 0 398.576 4.013 20 0 GIADRO Cc1cc(CNC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)cc(C)n1 ZINC000570195991 823014176 /nfs/dbraw/zinc/01/41/76/823014176.db2.gz HYKGEFSQYONNDB-UHFFFAOYSA-N 1 0 380.536 4.074 20 0 GIADRO Cc1csc(-c2cccc(C(=O)N(CC[NH+](C)C)Cc3cccs3)c2)n1 ZINC000175661696 823015033 /nfs/dbraw/zinc/01/50/33/823015033.db2.gz KZZNLGXHUUJVFZ-UHFFFAOYSA-N 1 0 385.558 4.384 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCc1ccc2sccc2c1 ZINC000570205112 823015269 /nfs/dbraw/zinc/01/52/69/823015269.db2.gz WECOBLQKSBFDKT-UHFFFAOYSA-N 1 0 394.544 4.283 20 0 GIADRO c1ccc(C[N@H+]2CCCC[C@@H](CN[C@@H](c3ccccc3)c3cncnc3)C2)cc1 ZINC000570205916 823015285 /nfs/dbraw/zinc/01/52/85/823015285.db2.gz ROYWWNGDMQWYSA-DHLKQENFSA-N 1 0 386.543 4.458 20 0 GIADRO CCN(CC)c1ccc(C[NH2+]Cc2cc(-c3ccncc3)ccc2OC)cn1 ZINC000187137006 823015997 /nfs/dbraw/zinc/01/59/97/823015997.db2.gz TYVHFLBVPBXTIF-UHFFFAOYSA-N 1 0 376.504 4.288 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)Nc2cnc(C(=O)OC)c(Cl)c2)cc1)C(C)C ZINC000570215299 823015994 /nfs/dbraw/zinc/01/59/94/823015994.db2.gz GZQKHXUTSLMMAY-UHFFFAOYSA-N 1 0 389.883 4.004 20 0 GIADRO CN(C(=O)Nc1ccc(OC(F)F)cc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000570227916 823016745 /nfs/dbraw/zinc/01/67/45/823016745.db2.gz UBINUWQHVZXNAD-HNNXBMFYSA-N 1 0 393.409 4.165 20 0 GIADRO COc1ccc(Cl)c(NC(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)c1 ZINC000175670297 823016968 /nfs/dbraw/zinc/01/69/68/823016968.db2.gz OLKHZRCXUXTZDY-MRXNPFEDSA-N 1 0 387.911 4.477 20 0 GIADRO CC(C)Oc1ccc([C@@H](C[NH2+]Cc2cn(C)nc2-c2ccccc2)N(C)C)cc1 ZINC000570241156 823017962 /nfs/dbraw/zinc/01/79/62/823017962.db2.gz KMXBIMUCMPIYBL-HSZRJFAPSA-N 1 0 392.547 4.267 20 0 GIADRO COC(=O)c1cccc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4n3C(C)C)C2)n1 ZINC000570242306 823018199 /nfs/dbraw/zinc/01/81/99/823018199.db2.gz HQFLLXCGRNLBIU-QGZVFWFLSA-N 1 0 392.503 4.178 20 0 GIADRO C[N@H+](CCn1cc(Br)cn1)Cc1ccc(OC(F)F)c(Cl)c1 ZINC000570248702 823019147 /nfs/dbraw/zinc/01/91/47/823019147.db2.gz PNFCOUGEEHPMAS-UHFFFAOYSA-N 1 0 394.647 4.032 20 0 GIADRO C[C@H](NC(=O)CCc1ncc(-c2ccccc2F)o1)[C@H](c1ccccc1)[NH+](C)C ZINC000187167738 823020029 /nfs/dbraw/zinc/02/00/29/823020029.db2.gz GTJKJSPYFFNVMC-QMHKHESXSA-N 1 0 395.478 4.221 20 0 GIADRO C[C@@H](NC(=O)CCc1ncc(-c2ccccc2F)o1)[C@@H](c1ccccc1)[NH+](C)C ZINC000187167718 823020064 /nfs/dbraw/zinc/02/00/64/823020064.db2.gz GTJKJSPYFFNVMC-MWTRTKDXSA-N 1 0 395.478 4.221 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+][C@@H](C)C1CCS(=O)(=O)CC1 ZINC000187170282 823020360 /nfs/dbraw/zinc/02/03/60/823020360.db2.gz UWECHPTZPUCALB-STQMWFEESA-N 1 0 396.553 4.122 20 0 GIADRO COc1cc(C)ccc1Oc1ccc(NC(=O)N2CCC[C@@H](C[NH3+])C2)cc1F ZINC000570262437 823020589 /nfs/dbraw/zinc/02/05/89/823020589.db2.gz TUEHJKGKJXFGPC-HNNXBMFYSA-N 1 0 387.455 4.138 20 0 GIADRO Cc1cc(NC(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)ccc1OCC(F)(F)F ZINC000570262408 823020599 /nfs/dbraw/zinc/02/05/99/823020599.db2.gz QZKAFJVUDDCOPM-NVXWUHKLSA-N 1 0 399.457 4.322 20 0 GIADRO CC[C@@H](Oc1ccccc1F)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000175691773 823021549 /nfs/dbraw/zinc/02/15/49/823021549.db2.gz PJYIPNKWRFQKMA-LAUBAEHRSA-N 1 0 384.495 4.325 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCC[C@H]1[C@H]1CCCOC1 ZINC000570275850 823021901 /nfs/dbraw/zinc/02/19/01/823021901.db2.gz QAGMWDRBPNZAHE-OIBXWCBGSA-N 1 0 399.579 4.162 20 0 GIADRO Cc1ccc(-n2cc(C(=O)N(C)[C@H](C)C3CC[NH+](C)CC3)c(C(C)(C)C)n2)cc1 ZINC000570282705 823022042 /nfs/dbraw/zinc/02/20/42/823022042.db2.gz NJDDFIUGCLBMMA-GOSISDBHSA-N 1 0 396.579 4.281 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)[C@H]2C[C@H]2c2cccc(F)c2F)CC1 ZINC000175700327 823023208 /nfs/dbraw/zinc/02/32/08/823023208.db2.gz GMQIRCPUFPPWJL-PMACEKPBSA-N 1 0 384.470 4.191 20 0 GIADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NCc1ccccc1Oc1cccc(F)c1 ZINC000570309428 823024355 /nfs/dbraw/zinc/02/43/55/823024355.db2.gz GFYSOHAYPSHTQB-KRWDZBQOSA-N 1 0 385.483 4.101 20 0 GIADRO Brc1ccccc1-c1cnc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)o1 ZINC000570329820 823026525 /nfs/dbraw/zinc/02/65/25/823026525.db2.gz UUIZYDQPXSDBHL-WMLDXEAASA-N 1 0 391.309 4.495 20 0 GIADRO CN1CC[C@@H]([NH2+]Cc2nccn2Cc2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000570340536 823027069 /nfs/dbraw/zinc/02/70/69/823027069.db2.gz UMPNZAQYTZXKFM-IFMALSPDSA-N 1 0 398.913 4.259 20 0 GIADRO CC(C)C[C@H](C)Oc1cc(C[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)ccn1 ZINC000187231270 823028195 /nfs/dbraw/zinc/02/81/95/823028195.db2.gz PFCSCSHLLMEIRU-KRWDZBQOSA-N 1 0 381.520 4.094 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH2+][C@H](C)c1ccc(NC(N)=O)cc1 ZINC000187238765 823029051 /nfs/dbraw/zinc/02/90/51/823029051.db2.gz YZLJFFBMBHCDLH-OAHLLOKOSA-N 1 0 376.460 4.099 20 0 GIADRO COc1ccc(Br)cc1C[NH2+][C@@H](c1ccccc1)C(C)(C)CO ZINC000570365547 823029432 /nfs/dbraw/zinc/02/94/32/823029432.db2.gz NUCZQKVPXLSWJX-SFHVURJKSA-N 1 0 378.310 4.307 20 0 GIADRO O=C1[C@@H]([NH2+]C2CCC3(CCCO3)CC2)CCN1c1ccc(Cl)cc1Cl ZINC000570370216 823030422 /nfs/dbraw/zinc/03/04/22/823030422.db2.gz SWLXYDLGQXSPMZ-RCDNUKIMSA-N 1 0 383.319 4.180 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH2+]CCc1nc2cc(F)ccc2n1C ZINC000187252070 823030864 /nfs/dbraw/zinc/03/08/64/823030864.db2.gz WKZMATSCTPCEIU-UHFFFAOYSA-N 1 0 390.462 4.115 20 0 GIADRO CN1C(=O)CCc2cc(C[NH2+]CCc3nc(C4CCCCC4)cs3)ccc21 ZINC000187252325 823030919 /nfs/dbraw/zinc/03/09/19/823030919.db2.gz KFIFIQXTABUFQN-UHFFFAOYSA-N 1 0 383.561 4.432 20 0 GIADRO Cc1cc(Cl)ccc1C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cnccn3)no2)C1 ZINC000570379844 823031529 /nfs/dbraw/zinc/03/15/29/823031529.db2.gz XTMQGWHZZVPWLU-IIBYNOLFSA-N 1 0 395.894 4.042 20 0 GIADRO COc1cccc(O[C@H](C)C[NH2+][C@H](C)c2ncc(Br)cc2F)c1 ZINC000187257529 823031635 /nfs/dbraw/zinc/03/16/35/823031635.db2.gz ZXXCLBUTMBSSIV-VXGBXAGGSA-N 1 0 383.261 4.110 20 0 GIADRO COc1cccc(O[C@@H](C)C[NH2+][C@@H](C)c2ncc(Br)cc2F)c1 ZINC000187257482 823031685 /nfs/dbraw/zinc/03/16/85/823031685.db2.gz ZXXCLBUTMBSSIV-RYUDHWBXSA-N 1 0 383.261 4.110 20 0 GIADRO C[C@@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000570380764 823031764 /nfs/dbraw/zinc/03/17/64/823031764.db2.gz DJNFHNJPODWCMH-AWEZNQCLSA-N 1 0 391.437 4.446 20 0 GIADRO COc1ccc(O[C@H](C)C[NH2+][C@@H](C)c2ncc(Br)cc2F)cc1 ZINC000187259201 823031808 /nfs/dbraw/zinc/03/18/08/823031808.db2.gz YFWYWDXBDQWKGD-NEPJUHHUSA-N 1 0 383.261 4.110 20 0 GIADRO CCCCc1oc2ccccc2c1CN(C)C(=O)[C@@]1([NH3+])C[C@@H](OCC)C1(C)C ZINC000187261002 823032225 /nfs/dbraw/zinc/03/22/25/823032225.db2.gz OJVFHJXVCACEHW-OFNKIYASSA-N 1 0 386.536 4.266 20 0 GIADRO [NH3+][C@H]1CCC[C@@H](CNC(=O)c2ccc(COc3ccc4ccccc4c3)o2)C1 ZINC000570390579 823032317 /nfs/dbraw/zinc/03/23/17/823032317.db2.gz FEGQRUDBNJMJGZ-APWZRJJASA-N 1 0 378.472 4.259 20 0 GIADRO C[NH+]1CCC(CCNC(=O)N(Cc2cc(F)ccc2F)C2CCCC2)CC1 ZINC000175757105 823032899 /nfs/dbraw/zinc/03/28/99/823032899.db2.gz WWVIRLZDLCEUGB-UHFFFAOYSA-N 1 0 379.495 4.151 20 0 GIADRO C[C@@H](NC(=O)Cc1csc(-c2cccs2)n1)[C@@H](c1ccccc1)[NH+](C)C ZINC000187267957 823033278 /nfs/dbraw/zinc/03/32/78/823033278.db2.gz FQVOHQWUPXBIRE-KUHUBIRLSA-N 1 0 385.558 4.222 20 0 GIADRO Cc1cccc([C@H](NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)c2ccccn2)c1 ZINC000570408779 823034205 /nfs/dbraw/zinc/03/42/05/823034205.db2.gz JGUYUHMVMOBBBQ-UPVQGACJSA-N 1 0 385.511 4.118 20 0 GIADRO Cc1nc2c(s1)[C@H](N(C)C(=O)NCC1CC[NH+](CCC(C)C)CC1)CCC2 ZINC000175768034 823035287 /nfs/dbraw/zinc/03/52/87/823035287.db2.gz MOQDOWPASLMDRN-LJQANCHMSA-N 1 0 392.613 4.228 20 0 GIADRO Cc1nc2c(s1)[C@@H](N(C)C(=O)NCC1CC[NH+](CCC(C)C)CC1)CCC2 ZINC000175768056 823035295 /nfs/dbraw/zinc/03/52/95/823035295.db2.gz MOQDOWPASLMDRN-IBGZPJMESA-N 1 0 392.613 4.228 20 0 GIADRO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](Cc3ccc(C)cc3)C2)c(OC)c1 ZINC000570421799 823035866 /nfs/dbraw/zinc/03/58/66/823035866.db2.gz IIYJDLZDGJVIER-AZUAARDMSA-N 1 0 396.531 4.294 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(OCc3ccccc3F)cc2)CC[N@@H+]1C ZINC000175771463 823036657 /nfs/dbraw/zinc/03/66/57/823036657.db2.gz CVUGSWFJFLPPGK-LPHOPBHVSA-N 1 0 385.483 4.351 20 0 GIADRO CC[N@H+]1C[C@@H](C)N(C(=O)c2cc(-c3ccco3)nc3onc(C(C)C)c32)[C@@H](C)C1 ZINC000570430554 823037005 /nfs/dbraw/zinc/03/70/05/823037005.db2.gz GLHVMXLEGLGDJF-GASCZTMLSA-N 1 0 396.491 4.161 20 0 GIADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1 ZINC000187289564 823037634 /nfs/dbraw/zinc/03/76/34/823037634.db2.gz DTMRAAFZSWSENY-ZFWWWQNUSA-N 1 0 396.409 4.257 20 0 GIADRO C[C@@H](C(=O)N1CCC[C@@H](c2ccncc2)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000570434682 823037687 /nfs/dbraw/zinc/03/76/87/823037687.db2.gz GCIZIYCOHYZFBW-GBXCKJPGSA-N 1 0 391.559 4.131 20 0 GIADRO CCCC(=O)Nc1cccc(NC(=O)NCCC[NH+](C(C)C)C(C)C)c1C ZINC000175777099 823037799 /nfs/dbraw/zinc/03/77/99/823037799.db2.gz PYISVBSLKXPUSK-UHFFFAOYSA-N 1 0 376.545 4.364 20 0 GIADRO CCCCCCOc1cc(C)ccc1C[NH2+][C@@H](C)C1CCS(=O)(=O)CC1 ZINC000187292845 823038033 /nfs/dbraw/zinc/03/80/33/823038033.db2.gz WZEKIGNQZCHALZ-SFHVURJKSA-N 1 0 381.582 4.257 20 0 GIADRO Cc1csc(Nc2ccc(C(=O)NCCCC[N@H+]3CCC[C@H](C)C3)cc2)n1 ZINC000570439142 823038421 /nfs/dbraw/zinc/03/84/21/823038421.db2.gz SJBLOHIEQKTKPV-INIZCTEOSA-N 1 0 386.565 4.437 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH2+]C[C@@]1(C)OCCc2sccc21 ZINC000570438347 823038651 /nfs/dbraw/zinc/03/86/51/823038651.db2.gz BTYITDLKNAGPOQ-JOCHJYFZSA-N 1 0 380.513 4.396 20 0 GIADRO CC[C@@H](NC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)c1nccs1 ZINC000458428056 823039049 /nfs/dbraw/zinc/03/90/49/823039049.db2.gz UVXRANIDXSXPJA-LJQANCHMSA-N 1 0 398.576 4.292 20 0 GIADRO C[C@@H](Cc1ccc(O)cc1)[NH2+]C[C@H](O)COC(c1ccccc1)c1ccccc1 ZINC000570444462 823039328 /nfs/dbraw/zinc/03/93/28/823039328.db2.gz JFNDQSBWJJMMOO-CYFREDJKSA-N 1 0 391.511 4.080 20 0 GIADRO Cc1ccc(C[C@H](NC(=O)NC(C)(C)CCC[NH+](C)C)c2ccccn2)cc1 ZINC000458432022 823039608 /nfs/dbraw/zinc/03/96/08/823039608.db2.gz YQQOTMQCGHTHNW-NRFANRHFSA-N 1 0 382.552 4.093 20 0 GIADRO Cc1ccccc1CCN(C)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000458440109 823040673 /nfs/dbraw/zinc/04/06/73/823040673.db2.gz USMKYCXGMCFWFO-TZIWHRDSSA-N 1 0 385.577 4.324 20 0 GIADRO COc1ccc([C@@H](CCO)[NH2+][C@@H](C)c2cc(Br)cc(C)c2O)cc1 ZINC000187310528 823041152 /nfs/dbraw/zinc/04/11/52/823041152.db2.gz OPBPIOHAWLZHOG-SCLBCKFNSA-N 1 0 394.309 4.246 20 0 GIADRO CCOc1cc(C[NH2+]CC(C)(C)C(C)(C)C)ccc1O[C@H](C)C(=O)N(C)C ZINC000570470386 823042406 /nfs/dbraw/zinc/04/24/06/823042406.db2.gz HMGYVVHEVVMAPK-MRXNPFEDSA-N 1 0 378.557 4.103 20 0 GIADRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)Nc1ccc(-c2csnn2)cc1)[NH+](C)C ZINC000570473384 823042782 /nfs/dbraw/zinc/04/27/82/823042782.db2.gz WPOYMOKNPIGFLL-MGPUTAFESA-N 1 0 395.532 4.326 20 0 GIADRO C[C@@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)c1ncc(-c2ccccc2)o1 ZINC000175798947 823043145 /nfs/dbraw/zinc/04/31/45/823043145.db2.gz MPHGBYQQMCMSOK-MRXNPFEDSA-N 1 0 382.508 4.109 20 0 GIADRO CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)N(c1nccs1)C1CCCCC1 ZINC000570481001 823043832 /nfs/dbraw/zinc/04/38/32/823043832.db2.gz OGLPCFAPJICAFZ-CGTJXYLNSA-N 1 0 379.570 4.135 20 0 GIADRO CCOc1cc(C[NH+]2CC(C3CCC3)C2)ccc1OCC(=O)Nc1ccccc1 ZINC000570484906 823044495 /nfs/dbraw/zinc/04/44/95/823044495.db2.gz NQQVMLIWRHIEPU-UHFFFAOYSA-N 1 0 394.515 4.335 20 0 GIADRO CC[C@@H](NC(=O)NC(C)(C)CCC[NH+](C)C)c1nc(C(F)(F)F)cs1 ZINC000458474701 823044736 /nfs/dbraw/zinc/04/47/36/823044736.db2.gz INFFQYJJEIJUPX-LLVKDONJSA-N 1 0 380.480 4.033 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NCc2cccc(Br)c2)C1 ZINC000060564839 823542714 /nfs/dbraw/zinc/54/27/14/823542714.db2.gz ZRBDCJPAERPQJS-IYBDPMFKSA-N 1 0 396.373 4.006 20 0 GIADRO Nc1ccc(F)c(NC(=O)CC[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2ccccc2)c1 ZINC000123816471 823542885 /nfs/dbraw/zinc/54/28/85/823542885.db2.gz IRHGEVKSSWWUOI-KNQAVFIVSA-N 1 0 399.510 4.105 20 0 GIADRO Cc1cc(C)c(NC(=O)CCC[NH+]2CCC(CC(=O)N3CCCC3)CC2)c(C)c1 ZINC000177896524 823543403 /nfs/dbraw/zinc/54/34/03/823543403.db2.gz PMZBIUSSZJJFKF-UHFFFAOYSA-N 1 0 399.579 4.055 20 0 GIADRO O=C1CCCN1Cc1ccccc1C[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000177899126 823543508 /nfs/dbraw/zinc/54/35/08/823543508.db2.gz WKTRMYPXAKNXPR-HXUWFJFHSA-N 1 0 384.907 4.466 20 0 GIADRO Cc1ccc([C@H](CNC(=O)c2ccc(OCc3ccccn3)cc2)[NH+](C)C)cc1 ZINC000460925687 823543746 /nfs/dbraw/zinc/54/37/46/823543746.db2.gz OOVYNEHLBXNGQL-QHCPKHFHSA-N 1 0 389.499 4.002 20 0 GIADRO C[C@@H](CNC(=O)C1(c2cccc(C(F)(F)F)c2)CCC1)[NH+]1CCC(C)CC1 ZINC000460927396 823543976 /nfs/dbraw/zinc/54/39/76/823543976.db2.gz SHTDKLANGOWXBD-INIZCTEOSA-N 1 0 382.470 4.364 20 0 GIADRO Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]Cc1cccnc1-n1cccn1 ZINC000177905636 823544457 /nfs/dbraw/zinc/54/44/57/823544457.db2.gz RZYOVSMQWYQHHT-MRXNPFEDSA-N 1 0 389.528 4.474 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@H](C)Cc2ccccc2C)ccc1S(=O)(=O)C(F)F ZINC000177907237 823544623 /nfs/dbraw/zinc/54/46/23/823544623.db2.gz PTTCLFJDNKDNGY-HUUCEWRRSA-N 1 0 397.487 4.282 20 0 GIADRO O=C(c1occ2c1CCOC2)N(CCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000411099990 823545745 /nfs/dbraw/zinc/54/57/45/823545745.db2.gz HPKGMCXLQYBSJX-UHFFFAOYSA-N 1 0 388.895 4.138 20 0 GIADRO C[N@@H+]1CC[C@H](CNC(=O)CSc2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123859880 823546651 /nfs/dbraw/zinc/54/66/51/823546651.db2.gz YEIUNXVPFNATDN-QRWLVFNGSA-N 1 0 392.927 4.380 20 0 GIADRO COc1ccc(C(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1F ZINC000123864348 823547296 /nfs/dbraw/zinc/54/72/96/823547296.db2.gz ZECDNBGCJMYADL-KUHUBIRLSA-N 1 0 394.849 4.050 20 0 GIADRO O=C(C[C@@H](Cc1ccccc1)c1ccccc1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000460943797 823547683 /nfs/dbraw/zinc/54/76/83/823547683.db2.gz OGEWFOQJYBAANO-DNQXCXABSA-N 1 0 376.544 4.490 20 0 GIADRO Cc1cc(C(=O)N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)ccc1NC(=O)CC(C)C ZINC000460945542 823548051 /nfs/dbraw/zinc/54/80/51/823548051.db2.gz AZBKNVIDCHPMIB-SVFBPWRDSA-N 1 0 399.579 4.457 20 0 GIADRO C[C@H]([NH2+]CCOc1ccccc1-c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000177933803 823548070 /nfs/dbraw/zinc/54/80/70/823548070.db2.gz QOKXPDKISOXITO-SFHVURJKSA-N 1 0 395.524 4.487 20 0 GIADRO C[C@H]([NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccc(N2CCOC2=O)cc1 ZINC000177937240 823548348 /nfs/dbraw/zinc/54/83/48/823548348.db2.gz HRWKORODTOTYNG-OYHNWAKOSA-N 1 0 394.471 4.216 20 0 GIADRO C[C@@H]1C[C@H](CCNC(=O)N2CC3(CCC3)[C@H]2C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000460948012 823548515 /nfs/dbraw/zinc/54/85/15/823548515.db2.gz IJPCKVOGTRAWBB-KAGYGMCKSA-N 1 0 381.564 4.261 20 0 GIADRO Cc1ccc(Br)cc1C(=O)N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000460949655 823548986 /nfs/dbraw/zinc/54/89/86/823548986.db2.gz NGEICTSBWFPKIR-ZOBUZTSGSA-N 1 0 379.342 4.235 20 0 GIADRO COCc1cccc(CNC(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)c1 ZINC000060630582 823549383 /nfs/dbraw/zinc/54/93/83/823549383.db2.gz XHZJHEBJXVGUSA-HSZRJFAPSA-N 1 0 395.547 4.105 20 0 GIADRO COc1ccc(CN(C)C(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)cc1 ZINC000060630917 823549398 /nfs/dbraw/zinc/54/93/98/823549398.db2.gz CGDXTZUIPFRUQX-HSZRJFAPSA-N 1 0 395.547 4.310 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)NC[C@@]2(C)OCCc3sccc32)cc1)C(C)C ZINC000460959642 823551015 /nfs/dbraw/zinc/55/10/15/823551015.db2.gz QQIQUSNGVDBEHY-JOCHJYFZSA-N 1 0 386.561 4.196 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)CCc1scnc1C)c1ccccc1Cl ZINC000411150597 823551870 /nfs/dbraw/zinc/55/18/70/823551870.db2.gz AGZOVJAUNREXIZ-QGZVFWFLSA-N 1 0 379.957 4.237 20 0 GIADRO CCNc1ccc(Cl)cc1C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000190218110 823551935 /nfs/dbraw/zinc/55/19/35/823551935.db2.gz OEUUJBHOKUUZCT-SFHVURJKSA-N 1 0 385.939 4.366 20 0 GIADRO c1nc(-c2ccccn2)sc1C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000123928131 823552513 /nfs/dbraw/zinc/55/25/13/823552513.db2.gz QLHNZZOTVKSOPK-UHFFFAOYSA-N 1 0 375.501 4.461 20 0 GIADRO COc1cc(Cl)c(F)c(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000411158975 823552850 /nfs/dbraw/zinc/55/28/50/823552850.db2.gz PUJNRRAQPKCGEP-HNNXBMFYSA-N 1 0 382.888 4.116 20 0 GIADRO CC[C@H](C(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1)c1ccc(F)cc1 ZINC000460969981 823552934 /nfs/dbraw/zinc/55/29/34/823552934.db2.gz OYNVEFCMANAKOL-FPOVZHCZSA-N 1 0 384.495 4.281 20 0 GIADRO CN(CC1CCCC1)C(=O)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000060708904 823553579 /nfs/dbraw/zinc/55/35/79/823553579.db2.gz FDWNNJKOTNQLAS-UHFFFAOYSA-N 1 0 385.552 4.038 20 0 GIADRO Cc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)C2CC[NH+](C(C)C)CC2)c1 ZINC000123944322 823553981 /nfs/dbraw/zinc/55/39/81/823553981.db2.gz YWLRPQMKRIDPNG-DEOSSOPVSA-N 1 0 394.559 4.178 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)c2ccc(OCc3ccccn3)cc2)c1 ZINC000460976031 823554261 /nfs/dbraw/zinc/55/42/61/823554261.db2.gz HTJXZAJMVQETHI-UHFFFAOYSA-N 1 0 389.499 4.042 20 0 GIADRO Cc1cc([C@@H]2CCC[N@@H+]2CCC(=O)NC(c2ccccc2)c2ccccc2)on1 ZINC000411172780 823554309 /nfs/dbraw/zinc/55/43/09/823554309.db2.gz NBGLQLLNHKLNPS-NRFANRHFSA-N 1 0 389.499 4.416 20 0 GIADRO Cc1cc([C@H]2CCC[N@@H+]2CCC(=O)NC(c2ccccc2)c2ccccc2)on1 ZINC000411172781 823554372 /nfs/dbraw/zinc/55/43/72/823554372.db2.gz NBGLQLLNHKLNPS-OAQYLSRUSA-N 1 0 389.499 4.416 20 0 GIADRO CC(C)c1ccc(C[C@H]2CC[N@H+](CCC(=O)Nc3cc(N)ccc3F)C2)cc1 ZINC000460976626 823554451 /nfs/dbraw/zinc/55/44/51/823554451.db2.gz CZAZPRZDEBJPRN-GOSISDBHSA-N 1 0 383.511 4.425 20 0 GIADRO CC(C)c1ccc(C[C@@H]2CC[N@H+](CCC(=O)Nc3cc(N)ccc3F)C2)cc1 ZINC000460976627 823554456 /nfs/dbraw/zinc/55/44/56/823554456.db2.gz CZAZPRZDEBJPRN-SFHVURJKSA-N 1 0 383.511 4.425 20 0 GIADRO C[N@@H+]1CC[C@H](CNC(=O)CCc2ccccc2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123956041 823555024 /nfs/dbraw/zinc/55/50/24/823555024.db2.gz WAQZWUASAPHJJV-IERDGZPVSA-N 1 0 392.877 4.360 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)c2ccccc2OCc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000123956190 823555158 /nfs/dbraw/zinc/55/51/58/823555158.db2.gz CRZDNOUQHIDYIZ-APWZRJJASA-N 1 0 386.923 4.474 20 0 GIADRO CSC1(CNC(=O)c2cccc(N[C@H](C)C(C)C)c2C)CC[NH+](C)CC1 ZINC000460980621 823555146 /nfs/dbraw/zinc/55/51/46/823555146.db2.gz OQFIGHZAIMOMSS-QGZVFWFLSA-N 1 0 377.598 4.009 20 0 GIADRO COc1ccccc1[C@@H]1C[C@H]1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411185999 823555355 /nfs/dbraw/zinc/55/53/55/823555355.db2.gz OTYVQYWKZOHFHA-FCHUYYIVSA-N 1 0 378.516 4.101 20 0 GIADRO O=C(N[C@H]1CCSc2ccc(Cl)cc21)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000411191390 823555731 /nfs/dbraw/zinc/55/57/31/823555731.db2.gz BSCMWLSZVFKSPD-WBVHZDCISA-N 1 0 397.009 4.211 20 0 GIADRO COc1ccc2sc(C(=O)NC[C@@H](c3ccc(F)cc3)[NH+](C)C)c(C)c2c1 ZINC000460983614 823555871 /nfs/dbraw/zinc/55/58/71/823555871.db2.gz KYMJAUKGXBXAGX-SFHVURJKSA-N 1 0 386.492 4.390 20 0 GIADRO COc1ccccc1[C@@H]1C[C@H]1C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000411201319 823556954 /nfs/dbraw/zinc/55/69/54/823556954.db2.gz QTRLCENEBHVGNX-LEWJYISDSA-N 1 0 398.934 4.233 20 0 GIADRO COc1cc(C(=O)NN=C2CC[NH+](C(C)(C)C)CC2)ccc1OCCC(C)C ZINC000060800781 823558361 /nfs/dbraw/zinc/55/83/61/823558361.db2.gz XVSBQVMENNJXPC-UHFFFAOYSA-N 1 0 389.540 4.100 20 0 GIADRO C[C@H]1[C@H](C(=O)N2CCC([N@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)C1(F)F ZINC000461012211 823558722 /nfs/dbraw/zinc/55/87/22/823558722.db2.gz KQNNSAQYKZFHKJ-BLLLJJGKSA-N 1 0 390.396 4.029 20 0 GIADRO C(C1CCC2(CC1)OCCO2)[N@@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000190285454 823559248 /nfs/dbraw/zinc/55/92/48/823559248.db2.gz UGKFHPJIAFZQHT-KRWDZBQOSA-N 1 0 376.566 4.135 20 0 GIADRO CN(C)[C@H](C[NH2+]Cc1cc(Br)ccc1OC(F)F)c1ccccc1 ZINC000060817171 823559438 /nfs/dbraw/zinc/55/94/38/823559438.db2.gz HYAPFALEWZZRCX-MRXNPFEDSA-N 1 0 399.279 4.443 20 0 GIADRO C[C@@H](C(=O)N[C@@H](c1ccccc1)c1ccc2[nH]cnc2c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000411244697 823559927 /nfs/dbraw/zinc/55/99/27/823559927.db2.gz ILXAPMQTKOFYIG-GEYWLOKFSA-N 1 0 376.504 4.030 20 0 GIADRO CC(C)c1noc2nc(-c3ccco3)cc(C(=O)N(C)[C@H]3CC[N@H+](C)[C@@H](C)C3)c21 ZINC000124018360 823560270 /nfs/dbraw/zinc/56/02/70/823560270.db2.gz PQYCOFZGMPZHIE-GJZGRUSLSA-N 1 0 396.491 4.161 20 0 GIADRO N#Cc1ccccc1NC(=S)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000060827188 823560445 /nfs/dbraw/zinc/56/04/45/823560445.db2.gz YWBGTRWYGKPQSR-UHFFFAOYSA-N 1 0 378.545 4.421 20 0 GIADRO CC[N@H+](Cc1nc2ccc(Cl)cc2c(=O)[nH]1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000411256178 823560527 /nfs/dbraw/zinc/56/05/27/823560527.db2.gz QKMTYXXHQXASIZ-AWEZNQCLSA-N 1 0 385.895 4.451 20 0 GIADRO Cc1ccc(C[NH2+]Cc2c[nH]nc2-c2ccccc2F)c(-n2cc(Cl)cn2)n1 ZINC000190301641 823560539 /nfs/dbraw/zinc/56/05/39/823560539.db2.gz YPHHDNNZBUHBEN-UHFFFAOYSA-N 1 0 396.857 4.048 20 0 GIADRO COc1ccc([C@@H](C[NH2+]Cc2cc(OC)cc(OC)c2)N2CCCCC2)cc1 ZINC000060828344 823560599 /nfs/dbraw/zinc/56/05/99/823560599.db2.gz WBXYJZJTLLQSFT-HSZRJFAPSA-N 1 0 384.520 4.029 20 0 GIADRO Cc1nc2ccccc2n1CCC[NH2+]Cc1cc(Br)ccc1F ZINC000060831494 823560777 /nfs/dbraw/zinc/56/07/77/823560777.db2.gz ZSOQCSWKYHQCOC-UHFFFAOYSA-N 1 0 376.273 4.426 20 0 GIADRO Ic1ccccc1[C@@H]1CCC[N@@H+]1CCc1cncs1 ZINC000411273010 823561560 /nfs/dbraw/zinc/56/15/60/823561560.db2.gz BRPNJTFQSHOFIQ-HNNXBMFYSA-N 1 0 384.286 4.127 20 0 GIADRO CCN(CC)C(=O)c1ccc(C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)cc1 ZINC000124040262 823562274 /nfs/dbraw/zinc/56/22/74/823562274.db2.gz NFEMRMPICKNBCN-UHFFFAOYSA-N 1 0 388.552 4.159 20 0 GIADRO CCC[N@H+](CCc1cccc(F)c1)[C@@H](C)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000411287230 823562465 /nfs/dbraw/zinc/56/24/65/823562465.db2.gz YZDQXWGTVYGUQV-INIZCTEOSA-N 1 0 385.483 4.066 20 0 GIADRO COc1ccc([C@@H](CNc2cc(C)nc(-c3ccncc3)n2)[NH+]2CCCC2)cc1 ZINC000060858268 823562727 /nfs/dbraw/zinc/56/27/27/823562727.db2.gz XSMXVBQGBSWELD-OAQYLSRUSA-N 1 0 389.503 4.105 20 0 GIADRO CC1(C(=O)N[C@H]2CCCc3c(O)cccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000190326352 823563264 /nfs/dbraw/zinc/56/32/64/823563264.db2.gz GQNFEORDQUJDHU-NRFANRHFSA-N 1 0 378.516 4.188 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)C2CC[NH+](Cc3ccc([C@H]4C[C@@H]4C)o3)CC2)c1 ZINC000124055206 823563721 /nfs/dbraw/zinc/56/37/21/823563721.db2.gz YHBISCSLXVYQIQ-BTYIYWSLSA-N 1 0 395.503 4.212 20 0 GIADRO O=C(Nc1cccc(NC(=O)C2CC2)c1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000411318727 823564279 /nfs/dbraw/zinc/56/42/79/823564279.db2.gz QNRLFMXOCLCPIS-UHFFFAOYSA-N 1 0 377.488 4.273 20 0 GIADRO O=C(CC[NH2+][C@H](c1ccccc1)c1ccccn1)N[C@H]1CCCc2ccccc21 ZINC000411320203 823564440 /nfs/dbraw/zinc/56/44/40/823564440.db2.gz FVIUHOCFJNFXKK-WIOPSUGQSA-N 1 0 385.511 4.345 20 0 GIADRO Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@@H](C)c3ccc(Cl)s3)CC2)cc1 ZINC000124070733 823564947 /nfs/dbraw/zinc/56/49/47/823564947.db2.gz KSRAERWQMFDUGB-AWEZNQCLSA-N 1 0 398.981 4.214 20 0 GIADRO Cc1ccc2ncc(C[NH+]3CCC(C(=O)NCc4ccc(F)cc4)CC3)cc2c1 ZINC000411334940 823565028 /nfs/dbraw/zinc/56/50/28/823565028.db2.gz COPIOKAMHOLLQK-UHFFFAOYSA-N 1 0 391.490 4.211 20 0 GIADRO CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1cnn(C)c1 ZINC000124072384 823565122 /nfs/dbraw/zinc/56/51/22/823565122.db2.gz DWQFDHNFNZWIHT-UHFFFAOYSA-N 1 0 398.338 4.103 20 0 GIADRO C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1cccc(F)c1 ZINC000461048276 823565432 /nfs/dbraw/zinc/56/54/32/823565432.db2.gz VFJSGKGSNXXGAY-LIRRHRJNSA-N 1 0 394.412 4.339 20 0 GIADRO Cc1c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cnn1CCC(C)C ZINC000124076025 823565507 /nfs/dbraw/zinc/56/55/07/823565507.db2.gz QGSTYYVWHBSVHC-WIYYLYMNSA-N 1 0 382.552 4.021 20 0 GIADRO O=C(N1CC[C@H](C[NH+]2CCCC2)C1)C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000461051251 823566038 /nfs/dbraw/zinc/56/60/38/823566038.db2.gz LAYZABLXJWITQE-MRXNPFEDSA-N 1 0 380.454 4.071 20 0 GIADRO Cc1ccc(C(=O)NC2CC[NH+](Cc3ccc(-c4ncco4)cc3F)CC2)s1 ZINC000411361177 823566363 /nfs/dbraw/zinc/56/63/63/823566363.db2.gz UOEPQGVVEBJDGR-UHFFFAOYSA-N 1 0 399.491 4.245 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(C)n(C4CC4)c3C)c(C)c2)CC1 ZINC000060926223 823567227 /nfs/dbraw/zinc/56/72/27/823567227.db2.gz NVWBYDLPZJAYBA-UHFFFAOYSA-N 1 0 380.536 4.142 20 0 GIADRO CN(C)c1cc(C[NH2+][C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)ccn1 ZINC000124101542 823567653 /nfs/dbraw/zinc/56/76/53/823567653.db2.gz FCBHMXYIIZQGAL-OAQYLSRUSA-N 1 0 389.478 4.168 20 0 GIADRO CN(CC(=O)Nc1cccc(Cl)c1)C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000411387546 823568516 /nfs/dbraw/zinc/56/85/16/823568516.db2.gz SEAMXRHTSZQNMY-UHFFFAOYSA-N 1 0 399.922 4.037 20 0 GIADRO FC(F)Oc1ccc(Br)cc1C[NH2+]CCCOC1CCCC1 ZINC000060951867 823568926 /nfs/dbraw/zinc/56/89/26/823568926.db2.gz UENQODKXERZTAX-UHFFFAOYSA-N 1 0 378.257 4.489 20 0 GIADRO O[C@H](C[NH2+]Cc1ccccc1Br)c1ccc(OC(F)(F)F)cc1 ZINC000060953057 823568942 /nfs/dbraw/zinc/56/89/42/823568942.db2.gz XVGVOIIGYFJQMP-OAHLLOKOSA-N 1 0 390.199 4.171 20 0 GIADRO C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@@H+]1CCSC[C@@H](C)C1 ZINC000190401833 823569482 /nfs/dbraw/zinc/56/94/82/823569482.db2.gz POANRMKZCRFLMI-QWRGUYRKSA-N 1 0 380.863 4.371 20 0 GIADRO CCC(CC)(CC(=O)OC)[NH2+]Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1 ZINC000411393908 823569601 /nfs/dbraw/zinc/56/96/01/823569601.db2.gz SJBZCQCXRUQYGX-UHFFFAOYSA-N 1 0 399.516 4.275 20 0 GIADRO Cc1nccn1CCC[NH2+][C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000124123538 823569608 /nfs/dbraw/zinc/56/96/08/823569608.db2.gz RMNGWUDPUCVZCL-OAQYLSRUSA-N 1 0 377.467 4.102 20 0 GIADRO C[C@@H]1C[C@H]1c1ccc(CN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)C2CC2)o1 ZINC000411393720 823569646 /nfs/dbraw/zinc/56/96/46/823569646.db2.gz WGMVIIAEYFGCFR-XFQXTVEOSA-N 1 0 388.577 4.112 20 0 GIADRO CCN(Cc1c[nH]c2ccccc12)C(=O)NC[C@@H](c1ccco1)[NH+](CC)CC ZINC000190404936 823569902 /nfs/dbraw/zinc/56/99/02/823569902.db2.gz RHTSOQFNRKLWID-FQEVSTJZSA-N 1 0 382.508 4.376 20 0 GIADRO FC(F)COc1ccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000124128477 823569948 /nfs/dbraw/zinc/56/99/48/823569948.db2.gz GJXLWEQGVNAZOV-QGZVFWFLSA-N 1 0 390.478 4.028 20 0 GIADRO CCOc1ccccc1NC(=O)[C@H]([NH2+]C[C@](C)(OC)C1CC1)c1ccccc1 ZINC000461072860 823570325 /nfs/dbraw/zinc/57/03/25/823570325.db2.gz FMACUPCMGNYBRM-GGAORHGYSA-N 1 0 382.504 4.170 20 0 GIADRO CCC(CC)(C[NH2+]Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1)C(=O)OC ZINC000411401016 823570443 /nfs/dbraw/zinc/57/04/43/823570443.db2.gz LUSIKHHRIRHSJT-UHFFFAOYSA-N 1 0 399.516 4.133 20 0 GIADRO Cc1ccc(CNC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)cc1F ZINC000060975186 823570646 /nfs/dbraw/zinc/57/06/46/823570646.db2.gz VPVLXCFGGSAZRQ-UHFFFAOYSA-N 1 0 387.524 4.047 20 0 GIADRO CCC1(CC)CCC[N@@H+]([C@@H](C)C(=O)Nc2cc(NC(C)=O)ccc2OC)CC1 ZINC000190415786 823570752 /nfs/dbraw/zinc/57/07/52/823570752.db2.gz RVNJYKUTFSRTKJ-INIZCTEOSA-N 1 0 389.540 4.273 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C[C@@H](c1ccc(O)cc1)C1CC1 ZINC000411407084 823570986 /nfs/dbraw/zinc/57/09/86/823570986.db2.gz HMAKKUQJXPEADI-HSZRJFAPSA-N 1 0 380.532 4.433 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C[C@H](c1ccc(O)cc1)C1CC1 ZINC000411407085 823571037 /nfs/dbraw/zinc/57/10/37/823571037.db2.gz HMAKKUQJXPEADI-QHCPKHFHSA-N 1 0 380.532 4.433 20 0 GIADRO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000411413763 823571501 /nfs/dbraw/zinc/57/15/01/823571501.db2.gz AIAGWQDGHSIIRF-MRXNPFEDSA-N 1 0 381.307 4.499 20 0 GIADRO Cc1ccc(Cl)c(NC(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)c1C ZINC000411414910 823571637 /nfs/dbraw/zinc/57/16/37/823571637.db2.gz JGTJCEJEXGUDSX-UHFFFAOYSA-N 1 0 399.922 4.172 20 0 GIADRO Cc1nc2ccccc2nc1CN1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000060995453 823571687 /nfs/dbraw/zinc/57/16/87/823571687.db2.gz ARBJLKFTGJCSOA-UHFFFAOYSA-N 1 0 382.511 4.409 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)N(Cc1c(F)cccc1F)C1CC1)c1cccs1 ZINC000190425902 823571997 /nfs/dbraw/zinc/57/19/97/823571997.db2.gz DVECTTISUOYPMA-QGZVFWFLSA-N 1 0 379.476 4.003 20 0 GIADRO O=C(CC[N@@H+]1CCC[C@H]1c1cccnc1)Nc1ccc(Br)cc1F ZINC000411419353 823572036 /nfs/dbraw/zinc/57/20/36/823572036.db2.gz OXOAQLSRFHOXHU-KRWDZBQOSA-N 1 0 392.272 4.149 20 0 GIADRO CCOCCC[NH2+]Cc1c(C)nn(-c2cccc(C(F)(F)F)c2)c1Cl ZINC000061003714 823572274 /nfs/dbraw/zinc/57/22/74/823572274.db2.gz GSFMZQVKLFRGJF-UHFFFAOYSA-N 1 0 375.822 4.369 20 0 GIADRO O=S1(=O)CCCN1c1ccc(C[NH2+][C@H](CC2CCC2)c2ccccc2)cc1 ZINC000461081280 823572552 /nfs/dbraw/zinc/57/25/52/823572552.db2.gz AJKVLUFUMLJHTL-JOCHJYFZSA-N 1 0 384.545 4.248 20 0 GIADRO CN(CCOc1ccccc1)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000061011826 823572676 /nfs/dbraw/zinc/57/26/76/823572676.db2.gz MKXCNFOHWJIYJE-UHFFFAOYSA-N 1 0 395.547 4.283 20 0 GIADRO Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1C[NH2+]CCn1ccnc1 ZINC000061014638 823572879 /nfs/dbraw/zinc/57/28/79/823572879.db2.gz KGYQQBLEVGEVOI-UHFFFAOYSA-N 1 0 398.725 4.186 20 0 GIADRO CC[NH+](CC)CCN(C(=O)c1csnc1C)c1cccc(C(F)(F)F)c1 ZINC000461083435 823573103 /nfs/dbraw/zinc/57/31/03/823573103.db2.gz GEAPWRZBRFWOPE-UHFFFAOYSA-N 1 0 385.455 4.459 20 0 GIADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCOc3ccc(Br)cc32)C[C@@H]1C ZINC000461085035 823573462 /nfs/dbraw/zinc/57/34/62/823573462.db2.gz GXJNOQUKYTUQHO-MKVSYHDVSA-N 1 0 396.325 4.230 20 0 GIADRO CCOc1cc2c(cc1C[NH2+]Cc1ccc(Br)cc1)O[C@@H](C)C2 ZINC000061028398 823574015 /nfs/dbraw/zinc/57/40/15/823574015.db2.gz BROXRSIHJNWEAN-ZDUSSCGKSA-N 1 0 376.294 4.461 20 0 GIADRO Cc1ccc(-c2nc(C(=O)N(Cc3ccco3)C3CC[NH+](C)CC3)cs2)cc1 ZINC000124168895 823574127 /nfs/dbraw/zinc/57/41/27/823574127.db2.gz UDXPLOSJBLIIHZ-UHFFFAOYSA-N 1 0 395.528 4.448 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCNCc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000061029112 823574318 /nfs/dbraw/zinc/57/43/18/823574318.db2.gz NENHXXBMEBELBA-FQEVSTJZSA-N 1 0 389.547 4.288 20 0 GIADRO Cc1ncsc1CCC(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000411443250 823574621 /nfs/dbraw/zinc/57/46/21/823574621.db2.gz BTSDXGWPKULHNH-CALCHBBNSA-N 1 0 385.577 4.178 20 0 GIADRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCCC(=O)Nc2ccc(Cl)cc2)C[C@@H]1C ZINC000461089790 823574743 /nfs/dbraw/zinc/57/47/43/823574743.db2.gz OUGMRIHQWYMIQP-BMGDILEWSA-N 1 0 380.916 4.016 20 0 GIADRO COc1ccc(C[NH2+][C@H](C)c2ccc(Br)cc2OC)cc1C#N ZINC000190443306 823574893 /nfs/dbraw/zinc/57/48/93/823574893.db2.gz IVIMMPNUIWFSTB-GFCCVEGCSA-N 1 0 375.266 4.189 20 0 GIADRO CCOc1ccc(O)c(C[NH2+][C@@H](C)c2ccc(Br)cc2OC)c1 ZINC000190446819 823575623 /nfs/dbraw/zinc/57/56/23/823575623.db2.gz IWGCPCBFWWNAFR-LBPRGKRZSA-N 1 0 380.282 4.413 20 0 GIADRO CC(C)[C@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000461094775 823575692 /nfs/dbraw/zinc/57/56/92/823575692.db2.gz VLBCIYDYWRRRDK-FQEVSTJZSA-N 1 0 392.952 4.367 20 0 GIADRO CC[N@H+](CC(=O)N(Cc1ccco1)CC(F)(F)F)Cc1c[nH]c2ccccc12 ZINC000190450861 823576395 /nfs/dbraw/zinc/57/63/95/823576395.db2.gz HXMWTFSZWWTXMN-UHFFFAOYSA-N 1 0 393.409 4.174 20 0 GIADRO COc1ccc(C2([NH2+]CC(=O)N(Cc3ccco3)Cc3ccccc3)CC2)cc1 ZINC000411453512 823576415 /nfs/dbraw/zinc/57/64/15/823576415.db2.gz BYVFRQRJOVIENK-UHFFFAOYSA-N 1 0 390.483 4.096 20 0 GIADRO Cc1c([C@@H](C)[NH2+]CCC(=O)Nc2cccc(F)c2C)cnn1-c1ccc(F)cc1 ZINC000411453609 823576472 /nfs/dbraw/zinc/57/64/72/823576472.db2.gz KCMUSKQNLVFRST-OAHLLOKOSA-N 1 0 398.457 4.447 20 0 GIADRO COc1cc(F)c([C@H](C)[NH2+]CCC(=O)Nc2ccc(Cl)cc2)cc1OC ZINC000411457550 823576797 /nfs/dbraw/zinc/57/67/97/823576797.db2.gz HYMHFHUXUSVEJC-LBPRGKRZSA-N 1 0 380.847 4.176 20 0 GIADRO COc1cc(F)c([C@@H](C)[NH2+]CCC(=O)Nc2ccc(Cl)cc2)cc1OC ZINC000411457548 823576803 /nfs/dbraw/zinc/57/68/03/823576803.db2.gz HYMHFHUXUSVEJC-GFCCVEGCSA-N 1 0 380.847 4.176 20 0 GIADRO CC(C)(C)c1cc(C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)no1 ZINC000461099142 823576842 /nfs/dbraw/zinc/57/68/42/823576842.db2.gz CZKJCZMBCNCFRZ-UHFFFAOYSA-N 1 0 397.563 4.437 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000411456608 823576868 /nfs/dbraw/zinc/57/68/68/823576868.db2.gz GROJVCFHLADXJX-IERDGZPVSA-N 1 0 388.895 4.045 20 0 GIADRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCc2nc3cc(Cl)ccc3s2)C[C@@H]1C ZINC000461100757 823577288 /nfs/dbraw/zinc/57/72/88/823577288.db2.gz RHMKZAYZGMXOMT-NWANDNLSSA-N 1 0 380.941 4.450 20 0 GIADRO COC(=O)c1cc(C[NH2+][C@@H](C)c2ccc(OC)c(Br)c2)cs1 ZINC000411460881 823577328 /nfs/dbraw/zinc/57/73/28/823577328.db2.gz PDMIEAYDQMXVJG-JTQLQIEISA-N 1 0 384.295 4.157 20 0 GIADRO COc1cc(F)c([C@@H](C)[NH2+]CCC(=O)Nc2ccccc2Cl)cc1OC ZINC000411462185 823577539 /nfs/dbraw/zinc/57/75/39/823577539.db2.gz PLYBZOJHUBSNNK-GFCCVEGCSA-N 1 0 380.847 4.176 20 0 GIADRO CC(=O)c1cc(F)c(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c(F)c1F ZINC000461102279 823577648 /nfs/dbraw/zinc/57/76/48/823577648.db2.gz IUFNUAUCSPGGJV-HNNXBMFYSA-N 1 0 390.405 4.157 20 0 GIADRO CC[C@@H]([NH2+]CC(=O)N(CC)c1nc2ccccc2s1)c1ccc(OC)cc1 ZINC000124210098 823577652 /nfs/dbraw/zinc/57/76/52/823577652.db2.gz IMXAAYUCVPVWBM-QGZVFWFLSA-N 1 0 383.517 4.399 20 0 GIADRO CO[C@]1(C[NH2+][C@H](CCSc2ccccc2)c2ccc(F)cc2)CCOC1 ZINC000461102649 823577883 /nfs/dbraw/zinc/57/78/83/823577883.db2.gz KIJQLVBXHJSSPH-RTWAWAEBSA-N 1 0 375.509 4.444 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@H]2CCc3ccccc3NC2=O)cc1Br ZINC000411466082 823578147 /nfs/dbraw/zinc/57/81/47/823578147.db2.gz YHSCGZCPPFSXAM-PXAZEXFGSA-N 1 0 389.293 4.062 20 0 GIADRO COCCSc1ccc([C@H](C)[NH2+]CCC(=O)Nc2ccccc2F)cc1 ZINC000411466809 823578315 /nfs/dbraw/zinc/57/83/15/823578315.db2.gz SZFMNEVDSGJPDB-HNNXBMFYSA-N 1 0 376.497 4.244 20 0 GIADRO CO[C@@]1(C[NH2+][C@@H](c2cccc(SC)c2)c2ccc(F)c(F)c2)CCOC1 ZINC000461105422 823578405 /nfs/dbraw/zinc/57/84/05/823578405.db2.gz ZZETZFQDLDCQRX-VQTJNVASSA-N 1 0 379.472 4.171 20 0 GIADRO C[C@@H]([NH2+][C@@H](CCO)C1CCOCC1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000461105269 823578411 /nfs/dbraw/zinc/57/84/11/823578411.db2.gz XLBYNYIPRQPHKP-HXOBKFHXSA-N 1 0 387.495 4.233 20 0 GIADRO O=C(CC[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)N[C@H]1CCCc2ccccc21 ZINC000411470890 823578523 /nfs/dbraw/zinc/57/85/23/823578523.db2.gz DOEDCDMXRKHNKN-WDJPJFJCSA-N 1 0 392.543 4.328 20 0 GIADRO CC(C)[NH+]1CCN(c2ccc(C(=O)Nc3ccc(N4CCCC4)cc3)cc2)CC1 ZINC000061114728 823578812 /nfs/dbraw/zinc/57/88/12/823578812.db2.gz PBTNTYYTMXWKIG-UHFFFAOYSA-N 1 0 392.547 4.070 20 0 GIADRO COc1ccc2c(c1)CCC[C@@H]2C[NH2+][C@H](c1ccc(F)cc1)c1cnccn1 ZINC000124229523 823579167 /nfs/dbraw/zinc/57/91/67/823579167.db2.gz JHGIGHRYLXQGFG-WZONZLPQSA-N 1 0 377.463 4.423 20 0 GIADRO COc1ccc2c(c1)CCC[C@H]2C[NH2+][C@@H](c1ccc(F)cc1)c1cnccn1 ZINC000124229347 823579173 /nfs/dbraw/zinc/57/91/73/823579173.db2.gz JHGIGHRYLXQGFG-MBSDFSHPSA-N 1 0 377.463 4.423 20 0 GIADRO Cc1csc([C@@H]([NH2+]CCC(=O)Nc2ccc(Br)cc2)C2CC2)n1 ZINC000411481043 823579844 /nfs/dbraw/zinc/57/98/44/823579844.db2.gz PTYZQFKTVFNKPD-INIZCTEOSA-N 1 0 394.338 4.284 20 0 GIADRO COC1CC[NH+](C(C)(C)CNC(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)CC1 ZINC000461115223 823580162 /nfs/dbraw/zinc/58/01/62/823580162.db2.gz SFVXNBVWMGUALP-ZWKOTPCHSA-N 1 0 399.362 4.103 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)c2ccccc2OCc2ccccc2Cl)CC[N@@H+]1C ZINC000124243383 823580342 /nfs/dbraw/zinc/58/03/42/823580342.db2.gz YTUDZVLXLMSXJN-SJLPKXTDSA-N 1 0 386.923 4.474 20 0 GIADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000411495558 823581289 /nfs/dbraw/zinc/58/12/89/823581289.db2.gz JUWMBIBSJPPVPL-QGZVFWFLSA-N 1 0 387.376 4.169 20 0 GIADRO O=C(C[N@H+](C1CC1)C1CCCCC1)Nc1cc2c(cc1Cl)OCCCO2 ZINC000061163198 823581625 /nfs/dbraw/zinc/58/16/25/823581625.db2.gz QANNBGVSVNQCFJ-UHFFFAOYSA-N 1 0 378.900 4.237 20 0 GIADRO CCc1cnccc1[C@H](C)[NH2+]CCC(=O)Nc1cccc(Br)c1 ZINC000411499141 823581703 /nfs/dbraw/zinc/58/17/03/823581703.db2.gz CQRBFXDKXLBWNG-ZDUSSCGKSA-N 1 0 376.298 4.086 20 0 GIADRO O=C(CC[N@@H+]1CCC[C@H]1C1CCOCC1)NC(c1ccccc1)c1ccccc1 ZINC000411500637 823581854 /nfs/dbraw/zinc/58/18/54/823581854.db2.gz RWJLFYVNRRXFME-QHCPKHFHSA-N 1 0 392.543 4.173 20 0 GIADRO CC[C@@H](NC(=O)NCC(C)(C)[NH+]1CCCCC1)c1ccccc1OC(F)F ZINC000061185481 823582640 /nfs/dbraw/zinc/58/26/40/823582640.db2.gz MGQSGFIWRKGTQM-MRXNPFEDSA-N 1 0 383.483 4.303 20 0 GIADRO COCCOc1cc(C)ccc1NC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000411509215 823582673 /nfs/dbraw/zinc/58/26/73/823582673.db2.gz CQIQLMRQMLCEHM-UHFFFAOYSA-N 1 0 382.504 4.258 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)NCC(C)(C)c1ccccc1)[NH+]1CCCC1 ZINC000061190402 823583006 /nfs/dbraw/zinc/58/30/06/823583006.db2.gz JRAHMUMJUZBWIO-OAQYLSRUSA-N 1 0 395.547 4.109 20 0 GIADRO CC1CC[NH+]([C@@H](CNC(=O)NCc2cccc(F)c2)c2cccs2)CC1 ZINC000061191088 823583227 /nfs/dbraw/zinc/58/32/27/823583227.db2.gz YBUUYTHRBIAZTQ-SFHVURJKSA-N 1 0 375.513 4.160 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(NC(=O)[C@@H]3C[C@@H]3C)cc2)cc1 ZINC000190532348 823583876 /nfs/dbraw/zinc/58/38/76/823583876.db2.gz QRESLQMFMXBSDA-HRAATJIYSA-N 1 0 379.504 4.375 20 0 GIADRO Cc1csc([C@@H](C)[NH2+]CCC(=O)NC(c2ccccc2)c2ccccc2)n1 ZINC000411519714 823583886 /nfs/dbraw/zinc/58/38/86/823583886.db2.gz NPQMMNBDCLPIIO-QGZVFWFLSA-N 1 0 379.529 4.398 20 0 GIADRO CC[C@@H]([NH2+]CCC(=O)NCC1CCCCC1)c1nc(C(F)(F)F)cs1 ZINC000411519598 823584007 /nfs/dbraw/zinc/58/40/07/823584007.db2.gz SOWYKVYCUIIPCT-CYBMUJFWSA-N 1 0 377.476 4.289 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[NH2+]C(C)(C)c1ccc(C)nc1 ZINC000411532549 823585415 /nfs/dbraw/zinc/58/54/15/823585415.db2.gz YBRNCAOZXUTHSA-UHFFFAOYSA-N 1 0 391.519 4.046 20 0 GIADRO CCCCn1c(C)cc(/C=C(/C#N)C(=O)NCc2ccccc2C[NH+](C)C)c1C ZINC000061232799 823586148 /nfs/dbraw/zinc/58/61/48/823586148.db2.gz GIVUKYIZKZSJPY-UCQKPKSFSA-N 1 0 392.547 4.190 20 0 GIADRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1C(F)(F)F)[C@H]1COc2ccccc21 ZINC000411538974 823586239 /nfs/dbraw/zinc/58/62/39/823586239.db2.gz VAVPMDNXAUQXFL-UKRRQHHQSA-N 1 0 378.394 4.188 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)cc1 ZINC000190558477 823586400 /nfs/dbraw/zinc/58/64/00/823586400.db2.gz UPRXGMQDDHCJSQ-OAQYLSRUSA-N 1 0 393.531 4.019 20 0 GIADRO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C[NH2+][C@H]1CCCC[C@@H]1C(N)=O ZINC000411539922 823586496 /nfs/dbraw/zinc/58/64/96/823586496.db2.gz MWKNUNJWLJYWQA-GJZGRUSLSA-N 1 0 397.466 4.271 20 0 GIADRO C[C@H](NC1CC[NH+](CCc2ccccc2)CC1)c1noc(-c2ccccc2)n1 ZINC000124317619 823586748 /nfs/dbraw/zinc/58/67/48/823586748.db2.gz RBONJUOKJWTKPR-SFHVURJKSA-N 1 0 376.504 4.094 20 0 GIADRO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000411542755 823586902 /nfs/dbraw/zinc/58/69/02/823586902.db2.gz JFTIKVLASODNQH-IIBYNOLFSA-N 1 0 382.552 4.181 20 0 GIADRO CC(C)c1noc2nc(C3CC3)cc(C(=O)N3CCC(CC[NH+](C)C)CC3)c21 ZINC000124322613 823587145 /nfs/dbraw/zinc/58/71/45/823587145.db2.gz RKOGHDCDQJRUOK-UHFFFAOYSA-N 1 0 384.524 4.028 20 0 GIADRO CCC[N@H+](CCc1cccs1)[C@@H](C)C(=O)Nc1cc(OC)ccc1OC ZINC000411548162 823587310 /nfs/dbraw/zinc/58/73/10/823587310.db2.gz FEJMGCMLQPDLIA-HNNXBMFYSA-N 1 0 376.522 4.047 20 0 GIADRO COc1ccc(COC[C@H](O)C[N@H+](Cc2cccc(Cl)c2)C(C)C)cc1 ZINC000061255255 823587526 /nfs/dbraw/zinc/58/75/26/823587526.db2.gz QUOGCFOMRXDEOY-HXUWFJFHSA-N 1 0 377.912 4.137 20 0 GIADRO Cn1cc([C@H](NCc2cccc(C[NH+]3CCCCC3)c2)c2ccc(F)cc2)cn1 ZINC000411553594 823587764 /nfs/dbraw/zinc/58/77/64/823587764.db2.gz JHKGNVXVAYDOGF-XMMPIXPASA-N 1 0 392.522 4.424 20 0 GIADRO CCOC(=O)N1CCC([NH2+][C@H](c2ccc(Br)s2)C2CC2)CC1 ZINC000190578230 823587882 /nfs/dbraw/zinc/58/78/82/823587882.db2.gz AUUKCKITHIPIFB-HNNXBMFYSA-N 1 0 387.343 4.172 20 0 GIADRO CC[C@@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)c1cccc(Br)c1 ZINC000124335238 823588159 /nfs/dbraw/zinc/58/81/59/823588159.db2.gz GFUNWBHTYZWHKU-SWLSCSKDSA-N 1 0 379.264 4.374 20 0 GIADRO COC(=O)c1ccc(NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000061286132 823589619 /nfs/dbraw/zinc/58/96/19/823589619.db2.gz VLZRSAWSEPLENJ-QGZVFWFLSA-N 1 0 395.503 4.027 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[NH2+][C@H](CC(F)(F)F)C(C)C ZINC000411602391 823589908 /nfs/dbraw/zinc/58/99/08/823589908.db2.gz CAWVBCRCIWJZMF-QGZVFWFLSA-N 1 0 396.457 4.384 20 0 GIADRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1ccc(N(C)C)c(F)c1 ZINC000061307125 823590774 /nfs/dbraw/zinc/59/07/74/823590774.db2.gz MNCLXASJXPNWDL-UHFFFAOYSA-N 1 0 387.524 4.001 20 0 GIADRO COc1cc(Cl)ccc1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1C ZINC000061307132 823590855 /nfs/dbraw/zinc/59/08/55/823590855.db2.gz PZHCJSJYVZFZEY-UHFFFAOYSA-N 1 0 390.936 4.458 20 0 GIADRO C[C@@H]([NH2+]CCc1nc2ccccc2c(=O)[nH]1)c1ccc(Br)s1 ZINC000411618815 823591192 /nfs/dbraw/zinc/59/11/92/823591192.db2.gz OLQGROSAGWEBDT-SNVBAGLBSA-N 1 0 378.295 4.053 20 0 GIADRO CC[C@@H](NC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1c(C)noc1C ZINC000124374526 823591319 /nfs/dbraw/zinc/59/13/19/823591319.db2.gz CXTCHQYJQGKHFI-OXJNMPFZSA-N 1 0 384.524 4.267 20 0 GIADRO C[C@H]1CCCN(C(=O)C2CC[NH+](CCSc3ccc(Cl)cc3)CC2)C1 ZINC000061333405 823591956 /nfs/dbraw/zinc/59/19/56/823591956.db2.gz FSUAXPUDJBWTBG-INIZCTEOSA-N 1 0 380.985 4.403 20 0 GIADRO Cc1cccc(C)c1NC(=O)CCC[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000124383853 823592220 /nfs/dbraw/zinc/59/22/20/823592220.db2.gz WPLIZCLJUYVJRK-FQEVSTJZSA-N 1 0 393.531 4.373 20 0 GIADRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1sc(-c2ccc(C(F)(F)F)cc2)nc1C ZINC000411635299 823592798 /nfs/dbraw/zinc/59/27/98/823592798.db2.gz ARCLFWFNRRDXTH-GJZGRUSLSA-N 1 0 397.466 4.142 20 0 GIADRO CC[C@H](NC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(OC)cc1 ZINC000061349707 823592913 /nfs/dbraw/zinc/59/29/13/823592913.db2.gz BQVXFNKDNSBKAM-UNMCSNQZSA-N 1 0 381.520 4.110 20 0 GIADRO CCOc1ccccc1NC(=O)CC[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000411648370 823593843 /nfs/dbraw/zinc/59/38/43/823593843.db2.gz OGWNTUFLVHZBAA-WIYYLYMNSA-N 1 0 388.895 4.187 20 0 GIADRO Cc1c(F)cccc1NC(=O)CC[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000411648973 823593902 /nfs/dbraw/zinc/59/39/02/823593902.db2.gz PNUZJRZNPPHFHO-UYAOXDASSA-N 1 0 394.849 4.375 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1cc2ccccc2o1)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000190644984 823594753 /nfs/dbraw/zinc/59/47/53/823594753.db2.gz VONZYKALJOZLRR-ARFHVFGLSA-N 1 0 394.471 4.121 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)c1cc2ccccc2o1 ZINC000190644962 823594842 /nfs/dbraw/zinc/59/48/42/823594842.db2.gz VONZYKALJOZLRR-XHSDSOJGSA-N 1 0 394.471 4.121 20 0 GIADRO Cc1ccccc1-n1ncc(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)c1C(C)C ZINC000190647886 823595015 /nfs/dbraw/zinc/59/50/15/823595015.db2.gz MLPCOODYBZKEJM-IBGZPJMESA-N 1 0 382.552 4.154 20 0 GIADRO OC[C@H](NCc1ccc(C[NH+]2CCCCC2)cc1)c1cccc(Cl)c1F ZINC000411665231 823595730 /nfs/dbraw/zinc/59/57/30/823595730.db2.gz FUDKRTMZRNXAAM-FQEVSTJZSA-N 1 0 376.903 4.288 20 0 GIADRO C[C@H](CO)[N@@H+](Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)CC1CCC1 ZINC000411666591 823596004 /nfs/dbraw/zinc/59/60/04/823596004.db2.gz MLHPWPBIOIMGHL-CQSZACIVSA-N 1 0 383.517 4.047 20 0 GIADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1csc(-c2cccc(C(F)(F)F)c2)n1 ZINC000124430426 823596126 /nfs/dbraw/zinc/59/61/26/823596126.db2.gz NCNPWLKVDNEDAA-LBPRGKRZSA-N 1 0 395.450 4.043 20 0 GIADRO Cc1nc(C(C)(C)C)sc1C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000061431101 823596939 /nfs/dbraw/zinc/59/69/39/823596939.db2.gz MZYKIAHEIUXWTD-UHFFFAOYSA-N 1 0 385.577 4.391 20 0 GIADRO COc1cccc([C@@H]2[C@@H]([NH2+]Cc3cc(-c4ccco4)on3)CCN2C2CC2)c1 ZINC000411688425 823596945 /nfs/dbraw/zinc/59/69/45/823596945.db2.gz CLLHNWDSFGMZFM-SIKLNZKXSA-N 1 0 379.460 4.011 20 0 GIADRO CN1CC[C@H]([NH2+]CCC(=O)Nc2c(Cl)cccc2Cl)[C@H]1c1ccccc1 ZINC000411693198 823597419 /nfs/dbraw/zinc/59/74/19/823597419.db2.gz LUUAMSAIXWQXJF-FXAWDEMLSA-N 1 0 392.330 4.357 20 0 GIADRO Fc1ccc(C[N@@H+]2CCCN(Cc3csc(-c4ccccn4)n3)CC2)cc1 ZINC000124444819 823597451 /nfs/dbraw/zinc/59/74/51/823597451.db2.gz KZWSWAZRRRBRKI-UHFFFAOYSA-N 1 0 382.508 4.052 20 0 GIADRO CC(C)(C)OC(=O)CC[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000411696767 823597747 /nfs/dbraw/zinc/59/77/47/823597747.db2.gz JYPJYDJPOPXDPB-SFHVURJKSA-N 1 0 387.442 4.495 20 0 GIADRO COc1cc(C[NH2+][C@@H](C)C2CCN(CC(F)(F)F)CC2)ccc1OC(F)F ZINC000411697498 823597764 /nfs/dbraw/zinc/59/77/64/823597764.db2.gz VZWZGHVQOPSXDV-LBPRGKRZSA-N 1 0 396.400 4.049 20 0 GIADRO CN1CC[C@H]([NH2+]CCC(=O)Nc2cc(Cl)ccc2Cl)[C@H]1c1ccccc1 ZINC000411699860 823597880 /nfs/dbraw/zinc/59/78/80/823597880.db2.gz VVBPYEZJBKMLTD-FXAWDEMLSA-N 1 0 392.330 4.357 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)C2(c3ccc(Br)cc3)CCC2)CC1 ZINC000461210571 823599243 /nfs/dbraw/zinc/59/92/43/823599243.db2.gz GVDHUAVKFZVFGN-UHFFFAOYSA-N 1 0 393.369 4.109 20 0 GIADRO Cc1ccc2ncc(C[NH2+][C@@](C)(CO)c3ccc(Br)cc3)cc2c1 ZINC000411716209 823599313 /nfs/dbraw/zinc/59/93/13/823599313.db2.gz FJYIFEPYFXHYHJ-FQEVSTJZSA-N 1 0 385.305 4.303 20 0 GIADRO CC[C@H](NC(=O)N1CC[C@H](C[N@H+](C)Cc2scnc2C)C1)c1cccs1 ZINC000190699379 823599517 /nfs/dbraw/zinc/59/95/17/823599517.db2.gz FBKXARVFANKFGH-CVEARBPZSA-N 1 0 392.594 4.128 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)c2cnc3ccccc3c2C(F)(F)F)CC1 ZINC000461211546 823599586 /nfs/dbraw/zinc/59/95/86/823599586.db2.gz HHJVXNCGFLATJL-UHFFFAOYSA-N 1 0 379.426 4.105 20 0 GIADRO CCOC(=O)c1ccc(C[NH2+][C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)nc1 ZINC000411723510 823600017 /nfs/dbraw/zinc/60/00/17/823600017.db2.gz WWOPPJLQAOIJTE-GOSISDBHSA-N 1 0 394.393 4.398 20 0 GIADRO CCOc1ccccc1NC(=O)CC[NH2+][C@H]1CCC[C@@H]1OCc1ccccc1 ZINC000411724181 823600089 /nfs/dbraw/zinc/60/00/89/823600089.db2.gz UCZHYANOPJVTSF-FPOVZHCZSA-N 1 0 382.504 4.141 20 0 GIADRO O=C(CC[NH2+][C@@H]1CCC[C@H]1OC(F)F)N[C@H](c1cccs1)c1ccccc1 ZINC000411723795 823600106 /nfs/dbraw/zinc/60/01/06/823600106.db2.gz TUKZEJRBGRMARZ-MDZRGWNJSA-N 1 0 394.487 4.094 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)c2cc(Cl)c(OCC(C)C)c(OC)c2)CC1 ZINC000461215147 823600213 /nfs/dbraw/zinc/60/02/13/823600213.db2.gz IJVWNVNUMGRLNF-UHFFFAOYSA-N 1 0 396.959 4.235 20 0 GIADRO CCN(C)c1ccc(C[NH2+][C@@H](C)c2ccc(OC)c(Br)c2)cn1 ZINC000190705812 823600289 /nfs/dbraw/zinc/60/02/89/823600289.db2.gz JGHHOKQVWSPNQY-ZDUSSCGKSA-N 1 0 378.314 4.160 20 0 GIADRO CCCN(CC[NH+]1CCCCC1)[C@@H](C)c1nc2sc(C)c(C)c2c(=O)[nH]1 ZINC000411726097 823600436 /nfs/dbraw/zinc/60/04/36/823600436.db2.gz JIVKKODWAZMRNX-HNNXBMFYSA-N 1 0 376.570 4.273 20 0 GIADRO Cc1cc(-n2cccn2)ccc1NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000190706323 823600530 /nfs/dbraw/zinc/60/05/30/823600530.db2.gz DEMVXGDEXNCCBP-HXUWFJFHSA-N 1 0 395.551 4.301 20 0 GIADRO O=C(CC[N@@H+]1CCC[C@@H](c2ccncc2)C1)Nc1cccc(Br)c1 ZINC000411726773 823600618 /nfs/dbraw/zinc/60/06/18/823600618.db2.gz HZYWLOPCZPNALI-MRXNPFEDSA-N 1 0 388.309 4.052 20 0 GIADRO COc1ccc(NC(=O)CC[NH2+][C@@H](c2cccs2)C(C)(C)CO)cc1Cl ZINC000411733097 823600793 /nfs/dbraw/zinc/60/07/93/823600793.db2.gz FGPHZAMZKKCQMH-SFHVURJKSA-N 1 0 396.940 4.088 20 0 GIADRO O=C(CC[N@@H+]1CCC[C@H](c2ccncc2)C1)Nc1ccccc1Br ZINC000411731785 823600798 /nfs/dbraw/zinc/60/07/98/823600798.db2.gz RAGOQSJDDIVVIW-INIZCTEOSA-N 1 0 388.309 4.052 20 0 GIADRO CC(C)N(CC[NH+]1CCCCCC1)Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000411732096 823600821 /nfs/dbraw/zinc/60/08/21/823600821.db2.gz RYFSIOLGMFAZKB-UHFFFAOYSA-N 1 0 376.932 4.075 20 0 GIADRO COc1ccccc1[C@@H]1C[C@H]1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000411746984 823602042 /nfs/dbraw/zinc/60/20/42/823602042.db2.gz PJDUJWZSHLCZHB-BDTNDASRSA-N 1 0 378.516 4.060 20 0 GIADRO COc1cc([C@H](C)[NH2+]CCC(=O)NC(c2ccccc2)c2ccccc2)ccn1 ZINC000411747221 823602072 /nfs/dbraw/zinc/60/20/72/823602072.db2.gz XURIQWHGDBEGPA-SFHVURJKSA-N 1 0 389.499 4.037 20 0 GIADRO Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000124519699 823603078 /nfs/dbraw/zinc/60/30/78/823603078.db2.gz MVYGAMIJYWDAAO-AWEZNQCLSA-N 1 0 399.130 4.112 20 0 GIADRO CCOc1ccccc1NC(=O)CC[NH2+][C@@H](COC)c1cccc(Cl)c1 ZINC000411761411 823603152 /nfs/dbraw/zinc/60/31/52/823603152.db2.gz XVQBWOFDJOCQHJ-SFHVURJKSA-N 1 0 376.884 4.045 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H](c1ccc(OC)cc1)C1CC1 ZINC000061550766 823603188 /nfs/dbraw/zinc/60/31/88/823603188.db2.gz AGTXWLYAOVZGLR-HSZRJFAPSA-N 1 0 395.547 4.488 20 0 GIADRO C[C@H](NCc1ccc(C[NH+]2CCCCC2)cc1)c1ncc(Br)cn1 ZINC000411760779 823603232 /nfs/dbraw/zinc/60/32/32/823603232.db2.gz STQDNQOHQIEARH-HNNXBMFYSA-N 1 0 389.341 4.076 20 0 GIADRO CC(C)C[NH+]1CCC(NC(=O)Nc2ccc(Oc3cccc(F)c3)nc2)CC1 ZINC000061552557 823603311 /nfs/dbraw/zinc/60/33/11/823603311.db2.gz JKDKOESEQMXCPU-UHFFFAOYSA-N 1 0 386.471 4.255 20 0 GIADRO Cc1nn(-c2ccc(F)cc2)c(C)c1CNCCC[N@@H+](C)Cc1ccccc1 ZINC000061556908 823603655 /nfs/dbraw/zinc/60/36/55/823603655.db2.gz BXQIAAFHBGLICG-UHFFFAOYSA-N 1 0 380.511 4.240 20 0 GIADRO Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]CCn1c(C)nc2ccccc21 ZINC000061556730 823603666 /nfs/dbraw/zinc/60/36/66/823603666.db2.gz BIXZSSGLOKVGAN-UHFFFAOYSA-N 1 0 393.922 4.341 20 0 GIADRO C[C@@H](OCCC[NH2+]Cc1cc2c(c(Br)c1)OCO2)c1ccccc1 ZINC000061557677 823603801 /nfs/dbraw/zinc/60/38/01/823603801.db2.gz MCTZEHVWGRJUSR-CQSZACIVSA-N 1 0 392.293 4.435 20 0 GIADRO Cc1cccc2c1OCC[C@H]2NC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000190744983 823604536 /nfs/dbraw/zinc/60/45/36/823604536.db2.gz OQVIBAXDRUQXHU-PGRDOPGGSA-N 1 0 393.531 4.343 20 0 GIADRO COc1cccc(F)c1[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000461255052 823605623 /nfs/dbraw/zinc/60/56/23/823605623.db2.gz YTSYPQZOUFPYKE-RDJZCZTQSA-N 1 0 388.458 4.063 20 0 GIADRO Cc1ncsc1C[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000124560410 823606344 /nfs/dbraw/zinc/60/63/44/823606344.db2.gz OMWSOHXAOCGVGW-UHFFFAOYSA-N 1 0 376.117 4.266 20 0 GIADRO CCCOc1ccc(C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cc1OCCC ZINC000461257836 823606381 /nfs/dbraw/zinc/60/63/81/823606381.db2.gz OTAJYSQPWXMPTK-LJQANCHMSA-N 1 0 376.541 4.211 20 0 GIADRO C[C@@H]1Cc2ccccc2N1Cc1occc1C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000461259382 823606690 /nfs/dbraw/zinc/60/66/90/823606690.db2.gz BXJSEPQGHNANFN-UYAOXDASSA-N 1 0 395.547 4.177 20 0 GIADRO FC(F)(F)c1ccc(-c2nc(C[NH2+][C@@H]3CCc4n[nH]cc4C3)cs2)cc1 ZINC000124563988 823606754 /nfs/dbraw/zinc/60/67/54/823606754.db2.gz RDHIJZYOBYQHLA-CQSZACIVSA-N 1 0 378.423 4.199 20 0 GIADRO Cc1nn(-c2ccc(C(=O)N(C)CC[C@H]3CCCC[N@@H+]3C)cc2)c(C)c1Cl ZINC000461260859 823607274 /nfs/dbraw/zinc/60/72/74/823607274.db2.gz FTAUHXSUSFVCOK-GOSISDBHSA-N 1 0 388.943 4.089 20 0 GIADRO Cc1ccc(C(=O)c2ccccc2C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000461261663 823607437 /nfs/dbraw/zinc/60/74/37/823607437.db2.gz XIQCJLOZRASLKT-FQEVSTJZSA-N 1 0 378.516 4.172 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1CNCc1ccc(Br)o1 ZINC000190778050 823607564 /nfs/dbraw/zinc/60/75/64/823607564.db2.gz NGUIPEKUXCFMOB-UHFFFAOYSA-N 1 0 381.314 4.053 20 0 GIADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1ccccc1C(=O)c1ccc(F)cc1 ZINC000461262474 823607785 /nfs/dbraw/zinc/60/77/85/823607785.db2.gz JDLGARFZOKMTOH-LJQANCHMSA-N 1 0 382.479 4.003 20 0 GIADRO CCOc1cc(C[NH2+]Cc2ccc(N(C)C(C)C)nc2)ccc1OC(F)F ZINC000190790709 823609325 /nfs/dbraw/zinc/60/93/25/823609325.db2.gz DFSZTCAMMWVZTN-UHFFFAOYSA-N 1 0 379.451 4.216 20 0 GIADRO COCCCCC[N@@H+]1CCC[C@@H]1c1nc(-c2ccccc2Br)no1 ZINC000190795962 823609990 /nfs/dbraw/zinc/60/99/90/823609990.db2.gz FVBRDHOXCQCQCH-MRXNPFEDSA-N 1 0 394.313 4.453 20 0 GIADRO CCCCc1noc([C@H](C)Nc2cc(C)cc(N3CC[NH+](C(C)C)CC3)c2)n1 ZINC000190796735 823610176 /nfs/dbraw/zinc/61/01/76/823610176.db2.gz CRRDBYQNIYIDBJ-SFHVURJKSA-N 1 0 385.556 4.424 20 0 GIADRO Cc1nn(C(C)(C)C)cc1C(=O)Nc1cc(C)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000190801482 823610708 /nfs/dbraw/zinc/61/07/08/823610708.db2.gz MOSMPZXFGFYQDD-UHFFFAOYSA-N 1 0 397.567 4.038 20 0 GIADRO Cc1cc(NC(=O)c2scnc2C2CC2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000190805062 823611171 /nfs/dbraw/zinc/61/11/71/823611171.db2.gz NEUKOLKUMWNNHM-UHFFFAOYSA-N 1 0 384.549 4.112 20 0 GIADRO C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@@H+]1CCSC2(CCC2)CC1 ZINC000411865881 823611344 /nfs/dbraw/zinc/61/13/44/823611344.db2.gz GKMRARZLCHMUIS-HNNXBMFYSA-N 1 0 389.590 4.005 20 0 GIADRO Cc1nnc(N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1Cc1cccs1 ZINC000461286204 823611892 /nfs/dbraw/zinc/61/18/92/823611892.db2.gz CTUHLWRUQFJWSG-PXNSSMCTSA-N 1 0 395.576 4.186 20 0 GIADRO Cc1cc(C(F)(F)F)ccc1C[NH2+]C1CCN(C(=O)c2ccccc2)CC1 ZINC000190812915 823612087 /nfs/dbraw/zinc/61/20/87/823612087.db2.gz XRMNCVYYSWOEKL-UHFFFAOYSA-N 1 0 376.422 4.408 20 0 GIADRO O=C(NCc1ccc(Cl)s1)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000061791423 823614705 /nfs/dbraw/zinc/61/47/05/823614705.db2.gz MOSVTGDGMCELFJ-UHFFFAOYSA-N 1 0 395.981 4.315 20 0 GIADRO O[C@@H]1C[C@H](c2ccccc2)[N@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000411932936 823615001 /nfs/dbraw/zinc/61/50/01/823615001.db2.gz GFTPUKAOEGCBJB-RTBURBONSA-N 1 0 383.289 4.305 20 0 GIADRO COc1ccc(-c2nc(C[NH2+][C@@H](C)[C@](C)(OC)C3CC3)cs2)cc1OC ZINC000411939885 823615418 /nfs/dbraw/zinc/61/54/18/823615418.db2.gz FVOOXBHUJGPEMM-RBZFPXEDSA-N 1 0 376.522 4.121 20 0 GIADRO COc1cccc(-c2nc(C[NH2+][C@@H](C)[C@@](C)(OC)C3CC3)cs2)c1OC ZINC000411951687 823616072 /nfs/dbraw/zinc/61/60/72/823616072.db2.gz QJSMFWHBIVGYHZ-RNODOKPDSA-N 1 0 376.522 4.121 20 0 GIADRO Cc1cc(C(=O)[C@H](C)[N@@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)c(C)n1Cc1ccco1 ZINC000411954576 823616342 /nfs/dbraw/zinc/61/63/42/823616342.db2.gz UYAVFOYCBNNKTJ-GREBRCKQSA-N 1 0 392.499 4.125 20 0 GIADRO CO[C@](C)([C@@H](C)[NH2+]Cc1ncc(-c2ccc(Br)cc2)o1)C1CC1 ZINC000411957557 823616603 /nfs/dbraw/zinc/61/66/03/823616603.db2.gz WIDLPGIOSMSXDJ-KZULUSFZSA-N 1 0 379.298 4.397 20 0 GIADRO CCOc1ccc([C@@H](C)NC(=O)NCc2cccc(C[N@H+](C)CC)c2)cc1OC ZINC000061865426 823616653 /nfs/dbraw/zinc/61/66/53/823616653.db2.gz HAVLISRAFHJLJH-QGZVFWFLSA-N 1 0 399.535 4.106 20 0 GIADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2ccc(C(C)C)cc2)c1 ZINC000061866991 823616668 /nfs/dbraw/zinc/61/66/68/823616668.db2.gz UPOPFHIZWPCVKB-UHFFFAOYSA-N 1 0 381.520 4.134 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)c2nnc(-c3ccc(C)o3)n2Cc2cccs2)C[C@@H]1C ZINC000461318699 823616916 /nfs/dbraw/zinc/61/69/16/823616916.db2.gz NUBGKTDLGZFFOS-RDJZCZTQSA-N 1 0 399.564 4.265 20 0 GIADRO C[C@@H](Cc1cccs1)NC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000061868733 823616937 /nfs/dbraw/zinc/61/69/37/823616937.db2.gz UOHGGBVKGGHXFG-MSOLQXFVSA-N 1 0 385.577 4.410 20 0 GIADRO CC(C)OCc1ccccc1CNC(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000061868919 823616956 /nfs/dbraw/zinc/61/69/56/823616956.db2.gz ASKKECABKJXCRB-UHFFFAOYSA-N 1 0 397.563 4.451 20 0 GIADRO CC[C@H](C)c1nnc(N(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)n1Cc1cccs1 ZINC000461325384 823617854 /nfs/dbraw/zinc/61/78/54/823617854.db2.gz QKVNPVLJBLXCGQ-XYJFISCASA-N 1 0 375.586 4.068 20 0 GIADRO CCN(C(=O)[C@H](C)[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1)C1CCCCC1 ZINC000411982110 823617944 /nfs/dbraw/zinc/61/79/44/823617944.db2.gz BZWVJGKPPPTRAV-UGKGYDQZSA-N 1 0 384.564 4.410 20 0 GIADRO CC(C)c1c(C(=O)NCCC2CC[NH+](C)CC2)cnn1-c1ccccc1Cl ZINC000190867647 823618145 /nfs/dbraw/zinc/61/81/45/823618145.db2.gz HOHJYIXUFRIWKQ-UHFFFAOYSA-N 1 0 388.943 4.111 20 0 GIADRO CSc1ccccc1OC[C@H](O)C[N@H+](Cc1c(C)nc2ccccn21)C(C)C ZINC000411987802 823618343 /nfs/dbraw/zinc/61/83/43/823618343.db2.gz RMSCGJDIQDLHMP-GOSISDBHSA-N 1 0 399.560 4.015 20 0 GIADRO CC[C@@H](C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1)c1ccc(F)cc1 ZINC000461340679 823620594 /nfs/dbraw/zinc/62/05/94/823620594.db2.gz OIOWBELMPXTBKM-JOCHJYFZSA-N 1 0 383.511 4.488 20 0 GIADRO O=C(NCc1csc2ccccc12)NCC1([NH+]2CCSCC2)CCCC1 ZINC000061989891 823621250 /nfs/dbraw/zinc/62/12/50/823621250.db2.gz BRTPSIPHCBHRLN-UHFFFAOYSA-N 1 0 389.590 4.062 20 0 GIADRO OCC1([C@@H]([NH2+]Cc2cc(-c3ccc(F)cc3)no2)c2ccccc2)CCOCC1 ZINC000412005414 823621352 /nfs/dbraw/zinc/62/13/52/823621352.db2.gz FHAUJOZUZONWHM-QFIPXVFZSA-N 1 0 396.462 4.101 20 0 GIADRO C[C@H](CC[NH2+][C@H](c1ccccc1)C1(CO)CCOCC1)OCc1ccccc1 ZINC000412006258 823621514 /nfs/dbraw/zinc/62/15/14/823621514.db2.gz CTQAQQMQBDUITR-NFBKMPQASA-N 1 0 383.532 4.102 20 0 GIADRO CCOc1ccc(C[NH2+][C@H](c2ccccc2)C2(CO)CCOCC2)cc1OCC ZINC000412006057 823621542 /nfs/dbraw/zinc/62/15/42/823621542.db2.gz HDBBIVDMQDOSKG-HSZRJFAPSA-N 1 0 399.531 4.104 20 0 GIADRO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000412007074 823621889 /nfs/dbraw/zinc/62/18/89/823621889.db2.gz WNKYNQPEJHUDBW-YUXAGFNASA-N 1 0 382.935 4.124 20 0 GIADRO COc1ccc(C[NH2+]C2(c3ccc(F)cc3F)CCOCC2)cc1OC(F)F ZINC000124737136 823622191 /nfs/dbraw/zinc/62/21/91/823622191.db2.gz FJQPASDXFAFRLF-UHFFFAOYSA-N 1 0 399.384 4.370 20 0 GIADRO Cc1ccc(OC(F)F)c(C[NH2+][C@@H](c2ccccc2)C2(CO)CCOCC2)c1 ZINC000412009620 823622275 /nfs/dbraw/zinc/62/22/75/823622275.db2.gz KABBOASQNWOTBE-FQEVSTJZSA-N 1 0 391.458 4.216 20 0 GIADRO OCC1([C@H]([NH2+]CC2CCC(C(F)(F)F)CC2)c2ccccc2)CCOCC1 ZINC000412010879 823622447 /nfs/dbraw/zinc/62/24/47/823622447.db2.gz MWRKHNKLYLQQAS-NKELODKYSA-N 1 0 385.470 4.475 20 0 GIADRO OCC1([C@H]([NH2+]Cc2ccc(-c3ncco3)cc2F)c2ccccc2)CCOCC1 ZINC000412010979 823622451 /nfs/dbraw/zinc/62/24/51/823622451.db2.gz NHSFQACEVJWDGI-OAQYLSRUSA-N 1 0 396.462 4.101 20 0 GIADRO CCOc1ccc(-c2nc(C[NH2+][C@H](C)C3(OC)CCC3)cs2)cc1OC ZINC000412022026 823623312 /nfs/dbraw/zinc/62/33/12/823623312.db2.gz QEPLUHGSOIVEME-CQSZACIVSA-N 1 0 376.522 4.265 20 0 GIADRO COc1cc(C[NH2+]C2(c3ccc(F)cc3F)CCOCC2)ccc1SC ZINC000124762890 823624138 /nfs/dbraw/zinc/62/41/38/823624138.db2.gz JXQTUAVYZCZGHZ-UHFFFAOYSA-N 1 0 379.472 4.491 20 0 GIADRO Cc1nc(C[N@@H+]2CCC[C@@H](N3CCCC3=O)CC2)oc1-c1ccc(Cl)cc1 ZINC000412058160 823624782 /nfs/dbraw/zinc/62/47/82/823624782.db2.gz UGTGKHXKYCYNMW-GOSISDBHSA-N 1 0 387.911 4.280 20 0 GIADRO Cc1ccnc(Oc2ccc(NC(=O)NCC(C)(C)[N@@H+]3CCC[C@H](C)C3)cc2)n1 ZINC000124772555 823625048 /nfs/dbraw/zinc/62/50/48/823625048.db2.gz QWSYIFPSKHMUKR-INIZCTEOSA-N 1 0 397.523 4.209 20 0 GIADRO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1nc(Cl)ccc1Cl ZINC000062231043 823625254 /nfs/dbraw/zinc/62/52/54/823625254.db2.gz SXHSLJALYVHPLC-OAHLLOKOSA-N 1 0 378.303 4.030 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)c2csc(-c3ccc(Cl)s3)n2)CC1 ZINC000062245270 823626058 /nfs/dbraw/zinc/62/60/58/823626058.db2.gz QZFWYHAFHZOQRU-UHFFFAOYSA-N 1 0 383.970 4.471 20 0 GIADRO CCc1ccc(Cl)c(CC)c1NC(=O)CCC[N@@H+]1CCC[C@@H](CO)[C@@H]1C ZINC000412101127 823626608 /nfs/dbraw/zinc/62/66/08/823626608.db2.gz YGSLULOOXBEGHQ-RDJZCZTQSA-N 1 0 380.960 4.276 20 0 GIADRO O=C(NC(c1cccs1)c1cccs1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412114040 823627323 /nfs/dbraw/zinc/62/73/23/823627323.db2.gz ABEOMVZBPXNKQS-OAHLLOKOSA-N 1 0 392.615 4.233 20 0 GIADRO C[C@@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)c1cccc(Cl)c1Cl ZINC000412115597 823627474 /nfs/dbraw/zinc/62/74/74/823627474.db2.gz GSHWOKBXPADWPU-OCCSQVGLSA-N 1 0 387.376 4.388 20 0 GIADRO CCOc1cc(C[NH2+][C@@H]2CC[C@H](OC)C2)cc(Br)c1OC(F)F ZINC000190943773 823628119 /nfs/dbraw/zinc/62/81/19/823628119.db2.gz LFEMINPRFNNWPZ-NEPJUHHUSA-N 1 0 394.256 4.106 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@H]2CCN(c3c(C)cc(C)cc3C)C2=O)cc1OC ZINC000190947080 823628772 /nfs/dbraw/zinc/62/87/72/823628772.db2.gz NRTRVVZVNZPNSJ-HKUYNNGSSA-N 1 0 382.504 4.085 20 0 GIADRO O=C(NC[C@H]1CCO[C@@H]1c1ccccc1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412135957 823629062 /nfs/dbraw/zinc/62/90/62/823629062.db2.gz NGPFKBKPGQXZRD-DHIUTWEWSA-N 1 0 378.516 4.180 20 0 GIADRO COc1ccccc1[C@@H]1C[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000412136075 823629205 /nfs/dbraw/zinc/62/92/05/823629205.db2.gz VVTXRBQTHXDXNI-UZVYXBEXSA-N 1 0 392.543 4.310 20 0 GIADRO CCS(=O)(=O)CCCCC[N@@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000190952182 823629445 /nfs/dbraw/zinc/62/94/45/823629445.db2.gz KNQCQBZZVKUCKU-KRWDZBQOSA-N 1 0 387.973 4.036 20 0 GIADRO O=C(CCC[NH2+]Cc1ccccc1Oc1ccc(F)cc1Cl)NC1CC1 ZINC000461407535 823630629 /nfs/dbraw/zinc/63/06/29/823630629.db2.gz PIELYYBGNZRNCG-UHFFFAOYSA-N 1 0 376.859 4.420 20 0 GIADRO OCC[C@@H]([NH2+]Cc1cccc(OCc2ccccc2Cl)c1)C1CCOCC1 ZINC000461407706 823630701 /nfs/dbraw/zinc/63/07/01/823630701.db2.gz OKJHMXIRZCWHEZ-JOCHJYFZSA-N 1 0 389.923 4.186 20 0 GIADRO CCCOc1ccccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000062376785 823630963 /nfs/dbraw/zinc/63/09/63/823630963.db2.gz XKUZWCVDLBSMGT-UHFFFAOYSA-N 1 0 391.462 4.349 20 0 GIADRO C[C@@H](CN1CCCC1=O)[NH2+]Cc1ccccc1Oc1ccc(F)cc1Cl ZINC000461410130 823631036 /nfs/dbraw/zinc/63/10/36/823631036.db2.gz WCRLZZLEECJPNX-AWEZNQCLSA-N 1 0 376.859 4.372 20 0 GIADRO Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)o1 ZINC000412155855 823631288 /nfs/dbraw/zinc/63/12/88/823631288.db2.gz KCSIJWGFTGFFFE-MNEFBYGVSA-N 1 0 376.566 4.105 20 0 GIADRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC000062388633 823631961 /nfs/dbraw/zinc/63/19/61/823631961.db2.gz GVFIBNOUCXTSES-UHFFFAOYSA-N 1 0 396.466 4.440 20 0 GIADRO COc1ccc2oc(C[NH2+]C3CCN(C(=O)c4ccc(C)cc4)CC3)cc2c1 ZINC000124862526 823632014 /nfs/dbraw/zinc/63/20/14/823632014.db2.gz GLRBXOCNLMJMON-UHFFFAOYSA-N 1 0 378.472 4.144 20 0 GIADRO O[C@H](C[NH2+]Cc1ccccc1Oc1ccc(F)cc1Cl)C1CCOCC1 ZINC000461417972 823632199 /nfs/dbraw/zinc/63/21/99/823632199.db2.gz AIOBZWJCKLLMOF-GOSISDBHSA-N 1 0 379.859 4.149 20 0 GIADRO O=C([C@@H]1CCCc2sccc21)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461419860 823632563 /nfs/dbraw/zinc/63/25/63/823632563.db2.gz AHWAFJBUCHZBFX-IRFCIJBXSA-N 1 0 380.557 4.149 20 0 GIADRO COc1c(F)cc(NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)cc1F ZINC000062404972 823633207 /nfs/dbraw/zinc/63/32/07/823633207.db2.gz AQOVXGNXNOCWQN-UHFFFAOYSA-N 1 0 381.467 4.140 20 0 GIADRO O=C(C[C@@H]1CCc2ccccc2C1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461423385 823633484 /nfs/dbraw/zinc/63/34/84/823633484.db2.gz ABZQYWYBSXNFIA-SDUSCBPUSA-N 1 0 388.555 4.162 20 0 GIADRO Cc1ccc(CCC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c(C)c1 ZINC000461424320 823633548 /nfs/dbraw/zinc/63/35/48/823633548.db2.gz BMNHWTIWVQYJOY-RPWUZVMVSA-N 1 0 376.544 4.217 20 0 GIADRO CCc1ccccc1[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461425758 823634189 /nfs/dbraw/zinc/63/41/89/823634189.db2.gz IQHWJDJKCYDKBD-YQIMAOPZSA-N 1 0 388.555 4.333 20 0 GIADRO C[C@H](CC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)c1ccc(F)cc1F ZINC000461426908 823634353 /nfs/dbraw/zinc/63/43/53/823634353.db2.gz JXVUXNCTKRRGMP-YZGWKJHDSA-N 1 0 398.497 4.439 20 0 GIADRO CCNC(=O)COc1cccc(C[NH2+][C@H](C)c2cc3cc(C)c(C)cc3o2)c1 ZINC000124895737 823634645 /nfs/dbraw/zinc/63/46/45/823634645.db2.gz QFRPYGLWUARGEC-QGZVFWFLSA-N 1 0 380.488 4.415 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(-c2ccc(F)cc2)o1)c1cccc(NS(C)(=O)=O)c1 ZINC000062421148 823634683 /nfs/dbraw/zinc/63/46/83/823634683.db2.gz MCZBUMFNSSGGCS-CQSZACIVSA-N 1 0 388.464 4.308 20 0 GIADRO Cc1ccc([C@H](C[NH2+]Cc2ccccc2OCc2cccnc2)N(C)C)cc1 ZINC000062423297 823634785 /nfs/dbraw/zinc/63/47/85/823634785.db2.gz RYONVZWUZKWDIA-QHCPKHFHSA-N 1 0 375.516 4.362 20 0 GIADRO CCOc1cc(Cl)ccc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461427569 823634757 /nfs/dbraw/zinc/63/47/57/823634757.db2.gz KYXWXETXTMFFCI-RTBURBONSA-N 1 0 398.934 4.333 20 0 GIADRO O=C(CCc1c[nH]c2ccccc12)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461429198 823635162 /nfs/dbraw/zinc/63/51/62/823635162.db2.gz NLTZPFYQXDEOCY-VXKWHMMOSA-N 1 0 387.527 4.081 20 0 GIADRO CSc1cc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)ccc1F ZINC000461429910 823635316 /nfs/dbraw/zinc/63/53/16/823635316.db2.gz PILSTUHNQJHDSX-OALUTQOASA-N 1 0 384.520 4.142 20 0 GIADRO O=C(N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)C12CC3CC(CC(C3)C1)C2 ZINC000461429956 823635332 /nfs/dbraw/zinc/63/53/32/823635332.db2.gz PQXAJPCMUBUDFL-ASNNBCDXSA-N 1 0 378.560 4.183 20 0 GIADRO COc1ccc([C@@H](CNC(=O)C[C@@H](C)c2c(C)noc2C)[NH+]2CCCCC2)cc1 ZINC000124907426 823635824 /nfs/dbraw/zinc/63/58/24/823635824.db2.gz JYAIDGRALSENOE-IIBYNOLFSA-N 1 0 399.535 4.137 20 0 GIADRO O=C(CCSc1ccc(F)cc1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461432610 823635911 /nfs/dbraw/zinc/63/59/11/823635911.db2.gz OMXVHKBVWDMEML-WOJBJXKFSA-N 1 0 398.547 4.288 20 0 GIADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H]2CC(C)(C)Oc3ccccc32)CC1 ZINC000412210219 823636124 /nfs/dbraw/zinc/63/61/24/823636124.db2.gz YYAHMJDGLMDMSU-DYESRHJHSA-N 1 0 393.531 4.068 20 0 GIADRO OCC[C@H]([NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)C1CCOCC1 ZINC000461432941 823636150 /nfs/dbraw/zinc/63/61/50/823636150.db2.gz VDUHOEMBMLEFDG-SFHVURJKSA-N 1 0 383.410 4.233 20 0 GIADRO CCC1(CNC(=O)CCc2scnc2C)CC[NH+](Cc2ccccc2)CC1 ZINC000412213105 823636209 /nfs/dbraw/zinc/63/62/09/823636209.db2.gz KBWOXFGMTSUZQE-UHFFFAOYSA-N 1 0 385.577 4.193 20 0 GIADRO CC(C)(C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)c1cccc(F)c1 ZINC000461433477 823636270 /nfs/dbraw/zinc/63/62/70/823636270.db2.gz CKMPKYJGMUUASK-WOJBJXKFSA-N 1 0 380.507 4.084 20 0 GIADRO CS[C@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)c1ccccc1 ZINC000461433111 823636330 /nfs/dbraw/zinc/63/63/30/823636330.db2.gz PONBQKZGWPXXDQ-FSSWDIPSSA-N 1 0 380.557 4.071 20 0 GIADRO Cc1ccnc2ccc(C(=O)N3C[C@H]4CC[N@H+](Cc5ccccc5)C[C@@H]4C3)cc12 ZINC000461435776 823637026 /nfs/dbraw/zinc/63/70/26/823637026.db2.gz ZWXQYAJOCUGBOB-FGZHOGPDSA-N 1 0 385.511 4.137 20 0 GIADRO Cc1oc2ccccc2c1CC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461436065 823637037 /nfs/dbraw/zinc/63/70/37/823637037.db2.gz MYAFSDIUSXREGJ-NHCUHLMSSA-N 1 0 388.511 4.264 20 0 GIADRO CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1)c1ccc(C)cc1 ZINC000062475033 823637116 /nfs/dbraw/zinc/63/71/16/823637116.db2.gz JYJXEMQCUJWBAT-OAQYLSRUSA-N 1 0 389.490 4.498 20 0 GIADRO C[C@@H]1CCc2[nH]c3ccc(C(=O)N4CC[C@@H](C[NH+]5CCCCC5)C4)cc3c2C1 ZINC000461437524 823637359 /nfs/dbraw/zinc/63/73/59/823637359.db2.gz HRUZBKQFWAKZGA-MSOLQXFVSA-N 1 0 379.548 4.241 20 0 GIADRO Cc1cc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c(C)n1C(C)C ZINC000461438055 823637408 /nfs/dbraw/zinc/63/74/08/823637408.db2.gz JYEWPMPCYKUVHB-YADHBBJMSA-N 1 0 379.548 4.280 20 0 GIADRO C[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[C@@H]2c2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000412230145 823637747 /nfs/dbraw/zinc/63/77/47/823637747.db2.gz KSJLNTQPLNLTDT-WIRSXHRWSA-N 1 0 386.898 4.392 20 0 GIADRO O=C(CCC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccc2ccccc2c1 ZINC000461440451 823638111 /nfs/dbraw/zinc/63/81/11/823638111.db2.gz BONVDOUDJOXONG-IBGZPJMESA-N 1 0 378.516 4.137 20 0 GIADRO O=C(CCCc1ccc(Br)s1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000461442967 823638612 /nfs/dbraw/zinc/63/86/12/823638612.db2.gz JJSVAXANKGFKIP-HNNXBMFYSA-N 1 0 399.398 4.168 20 0 GIADRO C[C@@H](CC[NH+](C)C)NC(=O)NCCCN1c2ccccc2Sc2ccccc21 ZINC000062504136 823638905 /nfs/dbraw/zinc/63/89/05/823638905.db2.gz HHLXLRJJYUATJF-KRWDZBQOSA-N 1 0 398.576 4.319 20 0 GIADRO O=C(c1cccc(-n2cccc2)c1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461445160 823638978 /nfs/dbraw/zinc/63/89/78/823638978.db2.gz LRJRZEOGSJEWEU-PKTZIBPZSA-N 1 0 385.511 4.071 20 0 GIADRO O=C(N[C@H]1CC=C(c2ccc(F)cc2)CC1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412242242 823638980 /nfs/dbraw/zinc/63/89/80/823638980.db2.gz MCXMLAHTESSIJP-LEWJYISDSA-N 1 0 388.552 4.095 20 0 GIADRO Cc1cc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c2ccccc2n1 ZINC000461444543 823639085 /nfs/dbraw/zinc/63/90/85/823639085.db2.gz KZZWHHHSKQOGHQ-RTWAWAEBSA-N 1 0 385.511 4.137 20 0 GIADRO CC[NH+](CC)CCOc1ccc(C(=O)N2C[C@H](C)O[C@@H](c3ccccc3)C2)cc1 ZINC000062517360 823639684 /nfs/dbraw/zinc/63/96/84/823639684.db2.gz OGEGYSYFTDKMHC-WMZHIEFXSA-N 1 0 396.531 4.009 20 0 GIADRO COc1cccc([C@H](C)CC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000461448039 823639821 /nfs/dbraw/zinc/63/98/21/823639821.db2.gz OHPWVGPUGGMWCJ-WTIAFYNJSA-N 1 0 392.543 4.169 20 0 GIADRO COc1cccc([C@H](C)CC(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000461448038 823639836 /nfs/dbraw/zinc/63/98/36/823639836.db2.gz OHPWVGPUGGMWCJ-UEVCKROQSA-N 1 0 392.543 4.169 20 0 GIADRO CC(C)(C)c1ccc2c(c1)CN(C(=O)C1CC[NH+]([C@H]3CCSC3)CC1)CC2 ZINC000412249531 823639945 /nfs/dbraw/zinc/63/99/45/823639945.db2.gz LNIRKOSORCZYIM-NRFANRHFSA-N 1 0 386.605 4.086 20 0 GIADRO COc1cc(C[NH2+][C@H](C)c2ccc(OC)c(NC(C)=O)c2)c2ccccc2n1 ZINC000124954892 823640049 /nfs/dbraw/zinc/64/00/49/823640049.db2.gz WXUWYGCXLMYXPX-CQSZACIVSA-N 1 0 379.460 4.061 20 0 GIADRO COc1ccc(OC)c([C@@H](O)C[NH2+][C@H](C)c2ccc(OC)c3ccccc32)c1 ZINC000124956017 823640341 /nfs/dbraw/zinc/64/03/41/823640341.db2.gz CGVMBBIHYHRHIA-VFNWGFHPSA-N 1 0 381.472 4.250 20 0 GIADRO CC1CC[NH+](CCCCNC(=O)N2CC[C@H](C(F)(F)F)C(C)(C)C2)CC1 ZINC000191032756 823640330 /nfs/dbraw/zinc/64/03/30/823640330.db2.gz VKCSQEDOULTFDY-INIZCTEOSA-N 1 0 377.495 4.119 20 0 GIADRO O=C(c1cc(C2CCCCC2)n[nH]1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461450844 823640406 /nfs/dbraw/zinc/64/04/06/823640406.db2.gz RNBBSTCLTLDRCD-RTWAWAEBSA-N 1 0 392.547 4.052 20 0 GIADRO C[C@H](Sc1ccccc1)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461452866 823640693 /nfs/dbraw/zinc/64/06/93/823640693.db2.gz YMPNEJWVJHDFHV-JBACZVJFSA-N 1 0 380.557 4.148 20 0 GIADRO COc1cc(Cl)c(F)c(C(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000412261926 823641054 /nfs/dbraw/zinc/64/10/54/823641054.db2.gz XKOVXAMUOLBOOR-HOCLYGCPSA-N 1 0 390.886 4.128 20 0 GIADRO Cc1nc(CC(C)C)oc1C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000191040469 823641254 /nfs/dbraw/zinc/64/12/54/823641254.db2.gz IRFZOSQWWXQVIJ-INIZCTEOSA-N 1 0 397.441 4.233 20 0 GIADRO O=C(C[C@@H]1CCCc2ccccc21)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461455796 823641318 /nfs/dbraw/zinc/64/13/18/823641318.db2.gz KSXYPLZJLNTOBQ-KMDXXIMOSA-N 1 0 388.555 4.477 20 0 GIADRO O=C([C@@H]1C[C@@H]1c1cc(F)ccc1F)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461456683 823641473 /nfs/dbraw/zinc/64/14/73/823641473.db2.gz NREHIKBWLMKQIT-XHYAQGIWSA-N 1 0 396.481 4.049 20 0 GIADRO C[C@H](Cc1ccccc1Cl)C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461456966 823641478 /nfs/dbraw/zinc/64/14/78/823641478.db2.gz OLIHOQPAPUJPDU-STZQEDGTSA-N 1 0 396.962 4.499 20 0 GIADRO O=C(c1cccc(C[NH+]2CCCCC2)c1)N1CCC[C@]2(C1)OCc1ccccc12 ZINC000412266752 823641651 /nfs/dbraw/zinc/64/16/51/823641651.db2.gz ZMNZDQUZPZLOJF-RUZDIDTESA-N 1 0 390.527 4.334 20 0 GIADRO COc1ccc(OC)c([C@H](O)C[NH2+][C@@H](C)c2cc(Cl)sc2Cl)c1 ZINC000124971994 823641757 /nfs/dbraw/zinc/64/17/57/823641757.db2.gz CCOZYEBZMSPBRZ-TVQRCGJNSA-N 1 0 376.305 4.456 20 0 GIADRO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(Cl)s1 ZINC000461467432 823643125 /nfs/dbraw/zinc/64/31/25/823643125.db2.gz PAZDPBARRMVZIR-INIZCTEOSA-N 1 0 390.936 4.003 20 0 GIADRO CN(C)c1cccc(CCC(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c1 ZINC000461468457 823643246 /nfs/dbraw/zinc/64/32/46/823643246.db2.gz KYWHOOAKVPHJNJ-QHCPKHFHSA-N 1 0 393.575 4.104 20 0 GIADRO O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCc2c(O)cccc21 ZINC000461467736 823643344 /nfs/dbraw/zinc/64/33/44/823643344.db2.gz VGHBJBWSELTMMY-NFBKMPQASA-N 1 0 392.543 4.231 20 0 GIADRO O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ncsc1C(F)(F)F ZINC000461470001 823643449 /nfs/dbraw/zinc/64/34/49/823643449.db2.gz RTSYSSYTBUSPEO-OAHLLOKOSA-N 1 0 397.466 4.194 20 0 GIADRO Cn1cc(CC(=O)OCC2CC[NH+](Cc3ccccc3)CC2)c2ccccc21 ZINC000062677281 823643790 /nfs/dbraw/zinc/64/37/90/823643790.db2.gz YCUZXPBLUFQBDL-UHFFFAOYSA-N 1 0 376.500 4.176 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)c2nnc(CC(C)(C)C)n2Cc2cccs2)C[C@H]1C ZINC000461476990 823644671 /nfs/dbraw/zinc/64/46/71/823644671.db2.gz FDSNJHRXIXEDAZ-SJORKVTESA-N 1 0 389.613 4.286 20 0 GIADRO CC[C@@H](C(=O)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F)[NH+](CC)CC ZINC000461478526 823645024 /nfs/dbraw/zinc/64/50/24/823645024.db2.gz HSLWTZBUYDOVLR-KBPBESRZSA-N 1 0 382.373 4.128 20 0 GIADRO Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000125019370 823645511 /nfs/dbraw/zinc/64/55/11/823645511.db2.gz USDSWJKRUKNTME-KRWDZBQOSA-N 1 0 394.519 4.101 20 0 GIADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H](C)c1cccc(O)c1 ZINC000125020766 823645661 /nfs/dbraw/zinc/64/56/61/823645661.db2.gz WOYRROAXWAFEQG-CYBMUJFWSA-N 1 0 386.293 4.500 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)N(C)[C@H](C)c2ccc(OC)cc2)c1 ZINC000125027985 823646403 /nfs/dbraw/zinc/64/64/03/823646403.db2.gz UXCXWMJRJBUUCQ-GOSISDBHSA-N 1 0 383.536 4.440 20 0 GIADRO CC[C@H]([NH2+]C[C@@H](O)c1cc(OC)ccc1OC)c1ccc(OC(F)F)cc1 ZINC000125032851 823646813 /nfs/dbraw/zinc/64/68/13/823646813.db2.gz SAWOSLXSDREPSK-ZWKOTPCHSA-N 1 0 381.419 4.080 20 0 GIADRO O=C(c1cccc(C[NH+]2CCCCC2)c1)N1Cc2ccc(O)cc2C2(CC2)C1 ZINC000412354076 823649200 /nfs/dbraw/zinc/64/92/00/823649200.db2.gz JADWVTAXRRQYFM-UHFFFAOYSA-N 1 0 376.500 4.066 20 0 GIADRO C[C@@H](NC(=O)c1cccc(C[NH+]2CCCCC2)c1)[C@@H]1OCCc2sccc21 ZINC000412354131 823649358 /nfs/dbraw/zinc/64/93/58/823649358.db2.gz APGYNJPJZGQMFE-IERDGZPVSA-N 1 0 384.545 4.166 20 0 GIADRO Cc1ccc(F)cc1NC(=O)[C@@H](C)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000125072124 823649923 /nfs/dbraw/zinc/64/99/23/823649923.db2.gz VNWDVWPVFQWLPD-GOSISDBHSA-N 1 0 398.526 4.104 20 0 GIADRO Cc1ccc(OCCC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000063080396 823650328 /nfs/dbraw/zinc/65/03/28/823650328.db2.gz NQZKDCNWAQHGBC-UHFFFAOYSA-N 1 0 380.532 4.101 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000191113513 823650381 /nfs/dbraw/zinc/65/03/81/823650381.db2.gz WMXIKYOAFQGGOD-CYBMUJFWSA-N 1 0 381.442 4.281 20 0 GIADRO Cc1ccsc1-c1nnc(N2C[C@H]3CCC[N@H+]3C[C@@H]2C)n1Cc1cccs1 ZINC000461505877 823650499 /nfs/dbraw/zinc/65/04/99/823650499.db2.gz GUKRVTNCSGCTIK-JKSUJKDBSA-N 1 0 399.589 4.098 20 0 GIADRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)c1cccn1Cc1cccs1 ZINC000063081755 823650664 /nfs/dbraw/zinc/65/06/64/823650664.db2.gz UXTVXPBJGNJCEC-UHFFFAOYSA-N 1 0 393.556 4.240 20 0 GIADRO O=C(CCCOc1ccccc1F)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000063081769 823650674 /nfs/dbraw/zinc/65/06/74/823650674.db2.gz XEISZIADSDUSSJ-UHFFFAOYSA-N 1 0 384.495 4.013 20 0 GIADRO Cc1ccc(C)c(SCC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000063081442 823650713 /nfs/dbraw/zinc/65/07/13/823650713.db2.gz XYJHPYOLCMAKQG-UHFFFAOYSA-N 1 0 382.573 4.424 20 0 GIADRO CC(C)C(=O)Nc1ccc(NC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000125085640 823650818 /nfs/dbraw/zinc/65/08/18/823650818.db2.gz YHBMDGGPXYVDCV-OAQYLSRUSA-N 1 0 394.519 4.240 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)c2nnc(-c3ccc(C)o3)n2Cc2cccs2)[C@H](C)C1 ZINC000461509562 823651168 /nfs/dbraw/zinc/65/11/68/823651168.db2.gz RTEIIYFGFGGUMS-CRAIPNDOSA-N 1 0 399.564 4.123 20 0 GIADRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)N2CC(c3cccc(Cl)c3)C2)[C@H](C(F)(F)F)C1 ZINC000412384299 823651393 /nfs/dbraw/zinc/65/13/93/823651393.db2.gz AMKRGHQLGNIQBI-HZPDHXFCSA-N 1 0 388.861 4.175 20 0 GIADRO C[NH+]1CCC(NC(=S)N[C@@H](c2cc3ccccc3o2)c2ccccc2)CC1 ZINC000063146018 823652747 /nfs/dbraw/zinc/65/27/47/823652747.db2.gz AXDBIIWROMVFTC-OAQYLSRUSA-N 1 0 379.529 4.081 20 0 GIADRO Cc1cc(N(C)C)ccc1NC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000063148893 823653011 /nfs/dbraw/zinc/65/30/11/823653011.db2.gz NILPEPGIDXHZKC-UHFFFAOYSA-N 1 0 382.577 4.012 20 0 GIADRO CC[C@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1c(C)noc1C ZINC000125132165 823654024 /nfs/dbraw/zinc/65/40/24/823654024.db2.gz SLUCXOIRUHHYSE-YSGRDPCXSA-N 1 0 384.524 4.095 20 0 GIADRO Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@H](C)c3csc(Cl)c3)CC2)cc1 ZINC000191153093 823654204 /nfs/dbraw/zinc/65/42/04/823654204.db2.gz YORKSNHLHLLBBG-CQSZACIVSA-N 1 0 398.981 4.214 20 0 GIADRO C[C@@H](CC(F)F)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000412417219 823654436 /nfs/dbraw/zinc/65/44/36/823654436.db2.gz KEJRZAKQBQWBQT-RYGJVYDSSA-N 1 0 390.449 4.201 20 0 GIADRO COc1cc(C[N@H+](C)CC2CC(O)C2)ccc1OCc1ccc(Cl)cc1 ZINC000191159248 823654749 /nfs/dbraw/zinc/65/47/49/823654749.db2.gz OWNRLHMGTRHMGJ-UHFFFAOYSA-N 1 0 375.896 4.130 20 0 GIADRO CC[NH+](CC)CCSCC(=O)N[C@@H](c1cccs1)c1ccc(C)cc1 ZINC000461532799 823655002 /nfs/dbraw/zinc/65/50/02/823655002.db2.gz LIEIWMWFRWTPMC-HXUWFJFHSA-N 1 0 376.591 4.337 20 0 GIADRO Cc1ccc(-c2nn(Cc3ccccc3)cc2C[N@H+](C)CC2CC(O)C2)cc1 ZINC000191167025 823655440 /nfs/dbraw/zinc/65/54/40/823655440.db2.gz CTGBCLZPFXUTMI-UHFFFAOYSA-N 1 0 375.516 4.110 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@H](C)c2ccc(OCC(=O)NC3CC3)cc2)cnn1C(C)(C)C ZINC000191185039 823657239 /nfs/dbraw/zinc/65/72/39/823657239.db2.gz ICTZDBUJACLLLJ-CVEARBPZSA-N 1 0 398.551 4.016 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)/C=C/c3ccc(Cl)cc3)CC2)cc1 ZINC000063263962 823658145 /nfs/dbraw/zinc/65/81/45/823658145.db2.gz YGCSLIRKLVYWKY-IZZDOVSWSA-N 1 0 398.934 4.390 20 0 GIADRO C[N@@H+]1CC[C@@H](CSc2nnc(-c3cccnc3)n2-c2ccc(Cl)cc2)C1 ZINC000191199204 823658615 /nfs/dbraw/zinc/65/86/15/823658615.db2.gz PXNGNZNHDSZUGK-CQSZACIVSA-N 1 0 385.924 4.027 20 0 GIADRO O=C(COc1cc(Cl)ccc1Cl)NC1CC[NH+](CC2CCCC2)CC1 ZINC000063272871 823658639 /nfs/dbraw/zinc/65/86/39/823658639.db2.gz UYPXIDNMXLBDGU-UHFFFAOYSA-N 1 0 385.335 4.143 20 0 GIADRO O=C(COc1ccc(Cl)cc1Cl)NC1CC[NH+](CC2CCCC2)CC1 ZINC000063273166 823658662 /nfs/dbraw/zinc/65/86/62/823658662.db2.gz ZEDDDINTNMYHAK-UHFFFAOYSA-N 1 0 385.335 4.143 20 0 GIADRO CCOc1ccccc1OCCCC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000063273022 823658676 /nfs/dbraw/zinc/65/86/76/823658676.db2.gz GSQFKRXOMIVYNT-UHFFFAOYSA-N 1 0 388.552 4.015 20 0 GIADRO CCCOc1ccc(NC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000125205865 823659064 /nfs/dbraw/zinc/65/90/64/823659064.db2.gz NKOJCNVJJBGITG-FQEVSTJZSA-N 1 0 381.520 4.461 20 0 GIADRO Cc1c([C@@H](C)[NH2+]C[C@@H](O)COc2cccc(Cl)c2Cl)cnn1C(C)C ZINC000191211610 823659558 /nfs/dbraw/zinc/65/95/58/823659558.db2.gz QCNAYKYYDYQSKJ-TZMCWYRMSA-N 1 0 386.323 4.170 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(C(=O)NC[C@H]2CCCO2)c1)c1csc(Cl)c1 ZINC000191211394 823659614 /nfs/dbraw/zinc/65/96/14/823659614.db2.gz CUTYQZXTUMWHQZ-SUMWQHHRSA-N 1 0 378.925 4.161 20 0 GIADRO C[C@H](C1CC1)[N@H+](CCCOc1ccc(S(C)(=O)=O)cc1)Cc1ccccc1 ZINC000063286289 823659986 /nfs/dbraw/zinc/65/99/86/823659986.db2.gz JCLDCNKIDPXZCG-GOSISDBHSA-N 1 0 387.545 4.160 20 0 GIADRO CC(C)[C@H](C)NC(=O)C1CC[NH+]([C@H](C)c2cccc(Br)c2)CC1 ZINC000125221833 823660247 /nfs/dbraw/zinc/66/02/47/823660247.db2.gz GYPMJVPUKOVCTE-LSDHHAIUSA-N 1 0 381.358 4.383 20 0 GIADRO COc1cc(C[NH2+]C2CCCCCC2)cc(I)c1OC ZINC000063312806 823661763 /nfs/dbraw/zinc/66/17/63/823661763.db2.gz QUVXDZDVQRDDGW-UHFFFAOYSA-N 1 0 389.277 4.121 20 0 GIADRO C[NH+](C)Cc1ccc(NC(=O)CCc2ccc(Br)cc2)c(F)c1 ZINC000412556232 823661985 /nfs/dbraw/zinc/66/19/85/823661985.db2.gz DPRWUFZVUUNGDA-UHFFFAOYSA-N 1 0 379.273 4.221 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)Nc3cccc(Cl)c3)CC2)cc1 ZINC000063321238 823662273 /nfs/dbraw/zinc/66/22/73/823662273.db2.gz YPVPWQDPJJRDQH-UHFFFAOYSA-N 1 0 387.911 4.382 20 0 GIADRO COc1ccccc1[C@H](NC(=O)NC1CCC(C[NH+](C)C)CC1)c1ccccc1 ZINC000125247887 823662283 /nfs/dbraw/zinc/66/22/83/823662283.db2.gz SFAFEHSBAQGIMU-KXNZUKPASA-N 1 0 395.547 4.204 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@@H]2C)o1 ZINC000412560089 823662373 /nfs/dbraw/zinc/66/23/73/823662373.db2.gz ATDMVGJHLOZWGG-LEUOFYLZSA-N 1 0 398.503 4.094 20 0 GIADRO CCCc1c(C(=O)Nc2ccc(C[NH+](C)C)cc2F)cnn1Cc1ccccc1 ZINC000412563421 823662812 /nfs/dbraw/zinc/66/28/12/823662812.db2.gz ZPGLACQBKLWRIE-UHFFFAOYSA-N 1 0 394.494 4.337 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)c1ccc(C(C)(C)C)s1 ZINC000412564034 823662908 /nfs/dbraw/zinc/66/29/08/823662908.db2.gz NFJYFWZUFNPXFD-UHFFFAOYSA-N 1 0 376.522 4.247 20 0 GIADRO COCCN(C)c1ccc(C[NH2+][C@@H](C)c2ccc(-c3ccncc3)cc2)cn1 ZINC000191262942 823664941 /nfs/dbraw/zinc/66/49/41/823664941.db2.gz CNBMWXFXZYFEHN-SFHVURJKSA-N 1 0 376.504 4.077 20 0 GIADRO CC(C)(C)n1cc(C(=O)N2CC[N@H+](Cc3ccccc3)C3(CCCCC3)C2)cn1 ZINC000461585383 823665483 /nfs/dbraw/zinc/66/54/83/823665483.db2.gz ZKPOWOKGBHWRCL-UHFFFAOYSA-N 1 0 394.563 4.299 20 0 GIADRO COc1ccc2nc(NC(=O)NC3CC[NH+](CC4CCCC4)CC3)sc2c1 ZINC000063388396 823666388 /nfs/dbraw/zinc/66/63/88/823666388.db2.gz RPBDSHTZOGFBQS-UHFFFAOYSA-N 1 0 388.537 4.081 20 0 GIADRO CCOc1ccccc1NC(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000063389018 823666482 /nfs/dbraw/zinc/66/64/82/823666482.db2.gz MJXHKCIZGSVVTE-UHFFFAOYSA-N 1 0 397.519 4.128 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)Nc3ccc(SC)cc3)CC2)cc1 ZINC000063390087 823666623 /nfs/dbraw/zinc/66/66/23/823666623.db2.gz HUNJCFIAMLMGRI-UHFFFAOYSA-N 1 0 399.560 4.451 20 0 GIADRO CCc1nc(CN2CCC(C[NH2+][C@@H](C)c3cnn(C(C)C)c3C)CC2)cs1 ZINC000191280174 823666760 /nfs/dbraw/zinc/66/67/60/823666760.db2.gz FRFKYPAZNWUOJL-INIZCTEOSA-N 1 0 389.613 4.354 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)ccc1OC(C)C ZINC000125315563 823667164 /nfs/dbraw/zinc/66/71/64/823667164.db2.gz GAVAATRLZFRCPW-SJORKVTESA-N 1 0 380.492 4.475 20 0 GIADRO O=C(NCCc1cccs1)C1CC[NH+](Cc2ccc(OCC3CC3)cc2)CC1 ZINC000191284073 823667308 /nfs/dbraw/zinc/66/73/08/823667308.db2.gz PTXQIJARFCBEGG-UHFFFAOYSA-N 1 0 398.572 4.108 20 0 GIADRO Cc1ccc(-n2cccn2)cc1NC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000191287918 823667637 /nfs/dbraw/zinc/66/76/37/823667637.db2.gz UYUWMJCDFRPTIA-FQEVSTJZSA-N 1 0 395.551 4.157 20 0 GIADRO Cc1ccc(-n2cccn2)cc1NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000191295841 823668620 /nfs/dbraw/zinc/66/86/20/823668620.db2.gz ARRQUYCKWRBCJN-VQTJNVASSA-N 1 0 395.551 4.299 20 0 GIADRO O=C(NCc1ccccc1Oc1ccccc1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000063404279 823668736 /nfs/dbraw/zinc/66/87/36/823668736.db2.gz UGOKAMWKEBTRJF-FQEVSTJZSA-N 1 0 379.504 4.249 20 0 GIADRO CC(C)[C@@H](NC(=O)NC1CC[NH+](CC2CCCC2)CC1)c1nc2ccccc2[nH]1 ZINC000063407817 823668787 /nfs/dbraw/zinc/66/87/87/823668787.db2.gz HZLWNFGSIYNZAL-OAQYLSRUSA-N 1 0 397.567 4.214 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)N(CC(C)C)CC(C)C)CC2)cc1 ZINC000063407239 823668848 /nfs/dbraw/zinc/66/88/48/823668848.db2.gz XAZSSGYTOPGAPF-UHFFFAOYSA-N 1 0 389.584 4.231 20 0 GIADRO Cc1ccc(-c2n[nH]cc2CNc2ccc(CC[NH+]3CCSCC3)cc2)o1 ZINC000125346497 823669609 /nfs/dbraw/zinc/66/96/09/823669609.db2.gz BQTKNKZWFLSKHP-UHFFFAOYSA-N 1 0 382.533 4.182 20 0 GIADRO C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)NCc1ccc(Cn2ccnc2)cc1 ZINC000125349876 823669832 /nfs/dbraw/zinc/66/98/32/823669832.db2.gz POZKBSIAPHPFLX-UTKZUKDTSA-N 1 0 392.478 4.158 20 0 GIADRO FC(F)(F)c1nnc(N2CCC[N@H+](Cc3cc4ccccc4o3)CC2)s1 ZINC000191314429 823670609 /nfs/dbraw/zinc/67/06/09/823670609.db2.gz UVUJKNYXWYXHRV-UHFFFAOYSA-N 1 0 382.411 4.015 20 0 GIADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cc(Cl)cc(F)c1Br ZINC000461612877 823671071 /nfs/dbraw/zinc/67/10/71/823671071.db2.gz YDRYFAGOIMEJOD-SNVBAGLBSA-N 1 0 379.701 4.092 20 0 GIADRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+][C@@H](C)c3cnn(C(C)(C)C)c3C)ccc2NC1=O ZINC000191324283 823671812 /nfs/dbraw/zinc/67/18/12/823671812.db2.gz FGWUKAWIKXONPN-TYILLQQXSA-N 1 0 384.524 4.468 20 0 GIADRO CC[NH+](CC)CCNC(=O)c1ccsc1NC(=O)c1ccc(C(C)C)cc1 ZINC000063445100 823671893 /nfs/dbraw/zinc/67/18/93/823671893.db2.gz FDYYQFXCADXPPO-UHFFFAOYSA-N 1 0 387.549 4.195 20 0 GIADRO CCc1ccccc1NC(=O)COc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000063457359 823672602 /nfs/dbraw/zinc/67/26/02/823672602.db2.gz YIQZTMHLTODCFI-UHFFFAOYSA-N 1 0 382.504 4.131 20 0 GIADRO C[C@H](NC(=O)CSCc1ccc(Cl)cc1Cl)C(C)(C)C[NH+](C)C ZINC000461707890 823685235 /nfs/dbraw/zinc/68/52/35/823685235.db2.gz WBBYDGPBGMHFJB-LBPRGKRZSA-N 1 0 377.381 4.319 20 0 GIADRO CC(C)CC[C@H]1CCC[C@@H]1[NH2+]CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000191347020 823674860 /nfs/dbraw/zinc/67/48/60/823674860.db2.gz RXFLPRJWECZKFB-KNQAVFIVSA-N 1 0 399.579 4.058 20 0 GIADRO CN(C)c1ccc(CNC(=O)C[N@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)cc1 ZINC000063492252 823675907 /nfs/dbraw/zinc/67/59/07/823675907.db2.gz VYADKYQYYLGXDO-VWLOTQADSA-N 1 0 399.538 4.017 20 0 GIADRO Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c12 ZINC000461660859 823676647 /nfs/dbraw/zinc/67/66/47/823676647.db2.gz HGHNLVNQSQXJLC-OAHLLOKOSA-N 1 0 399.583 4.078 20 0 GIADRO C[C@@H]1C[NH+](Cc2ccc(CNc3cccc(C(F)(F)F)n3)cc2)C[C@@H](C)O1 ZINC000063508691 823676903 /nfs/dbraw/zinc/67/69/03/823676903.db2.gz KSPJWUNZYWHFPC-HUUCEWRRSA-N 1 0 379.426 4.322 20 0 GIADRO Cc1nc(COc2ccc(CNCC3([NH+]4CCCCC4)CCCCC3)cc2)no1 ZINC000063507944 823676931 /nfs/dbraw/zinc/67/69/31/823676931.db2.gz VFYXJCFQSBVQTP-UHFFFAOYSA-N 1 0 398.551 4.235 20 0 GIADRO Cc1ccc(-c2ccc(C[NH2+]CCCN3C(=O)NC4(CCCC4)C3=O)s2)cc1 ZINC000063509026 823677081 /nfs/dbraw/zinc/67/70/81/823677081.db2.gz UKYGGZDLJVQHOX-UHFFFAOYSA-N 1 0 397.544 4.068 20 0 GIADRO CCN(CC(=O)Nc1cc(C)ccc1OC)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000063510875 823677201 /nfs/dbraw/zinc/67/72/01/823677201.db2.gz OSOKTUCBXBZKFP-FPOVZHCZSA-N 1 0 395.547 4.100 20 0 GIADRO C[C@H](NC(=O)c1oc2ccccc2c1C[NH+](C)C)c1noc(-c2ccccc2)n1 ZINC000125453900 823677533 /nfs/dbraw/zinc/67/75/33/823677533.db2.gz LIDSWCNQSUWRGG-AWEZNQCLSA-N 1 0 390.443 4.035 20 0 GIADRO CCO[C@@H]1C[C@H](O)C12CCN(c1cc[nH+]c3cc(C(F)(F)F)ccc31)CC2 ZINC000125464969 823678343 /nfs/dbraw/zinc/67/83/43/823678343.db2.gz RGKHGFHYABNNOE-ZWKOTPCHSA-N 1 0 380.410 4.010 20 0 GIADRO CC(C)Oc1ccc(C[NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)cc1 ZINC000063560543 823679369 /nfs/dbraw/zinc/67/93/69/823679369.db2.gz WIRQAHFZLHZRHU-RTBURBONSA-N 1 0 396.531 4.013 20 0 GIADRO CC[N@H+](C[C@@H](O)COc1c(OC)cccc1OC)[C@@H](C)c1cc2ccccc2o1 ZINC000063559836 823679419 /nfs/dbraw/zinc/67/94/19/823679419.db2.gz VHUBXULRADTIRO-FUHWJXTLSA-N 1 0 399.487 4.273 20 0 GIADRO Cc1nn(C)c(C)c1NC(=O)C[N@@H+]([C@@H](C)c1ccc2ccccc2c1)C1CC1 ZINC000063577349 823680685 /nfs/dbraw/zinc/68/06/85/823680685.db2.gz KYJJSLPNZFUNME-INIZCTEOSA-N 1 0 376.504 4.354 20 0 GIADRO CC[C@H](C(=O)N1CC2(CCOCC2)[C@@H]1c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000412751246 823680773 /nfs/dbraw/zinc/68/07/73/823680773.db2.gz ZAUXHROINIRPHB-PKTZIBPZSA-N 1 0 392.543 4.277 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)cnn1C(C)(C)C ZINC000191401952 823681265 /nfs/dbraw/zinc/68/12/65/823681265.db2.gz HQEOZNCGFUDJNB-QTJFZDIUSA-N 1 0 376.495 4.321 20 0 GIADRO CC[N@H+](CCC1CCN(C(=O)N[C@H]2c3ccccc3O[C@@H]2C)CC1)CC1CC1 ZINC000461687978 823681581 /nfs/dbraw/zinc/68/15/81/823681581.db2.gz XCBGFIFMOVHLGD-VGOFRKELSA-N 1 0 385.552 4.052 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@H](CC(C)C)C(=O)Nc2nccs2)cnn1C(C)(C)C ZINC000191408434 823681781 /nfs/dbraw/zinc/68/17/81/823681781.db2.gz BMBYDNIOYKCCDQ-XJKSGUPXSA-N 1 0 377.558 4.107 20 0 GIADRO CC[C@@H](CC(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccc(C)cc1 ZINC000412781274 823682216 /nfs/dbraw/zinc/68/22/16/823682216.db2.gz TVSFXLWHWQJMSC-QFIPXVFZSA-N 1 0 394.559 4.022 20 0 GIADRO Cc1ccc([C@H]2CCCN2C(=O)NCc2ccc(OCC[NH+](C)C)cc2)cc1C ZINC000063615762 823683423 /nfs/dbraw/zinc/68/34/23/823683423.db2.gz MLSUUSLOFQZCHT-HSZRJFAPSA-N 1 0 395.547 4.291 20 0 GIADRO CCOC(=O)N[C@@H](C[NH2+][C@H](C)c1sc(-c2cccnc2)nc1C)CC(C)C ZINC000125565616 823685812 /nfs/dbraw/zinc/68/58/12/823685812.db2.gz APLNUGUGYINMNR-RHSMWYFYSA-N 1 0 390.553 4.325 20 0 GIADRO CCOC(=O)N[C@H](C[NH2+][C@@H](C)c1sc(-c2cccnc2)nc1C)CC(C)C ZINC000125564915 823685873 /nfs/dbraw/zinc/68/58/73/823685873.db2.gz APLNUGUGYINMNR-YOEHRIQHSA-N 1 0 390.553 4.325 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1[nH]c2ccccc2c1Br)c1cccs1 ZINC000063654066 823687103 /nfs/dbraw/zinc/68/71/03/823687103.db2.gz ZFPDJGYOSONPOV-CYBMUJFWSA-N 1 0 392.322 4.025 20 0 GIADRO Cc1c([C@@H](C)[NH2+][C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)cnn1C(C)C ZINC000191459857 823687510 /nfs/dbraw/zinc/68/75/10/823687510.db2.gz OHIGVPTWNYJQPE-XIKOKIGWSA-N 1 0 378.879 4.021 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)c1cc(-c2cccnc2)on1 ZINC000063679288 823688993 /nfs/dbraw/zinc/68/89/93/823688993.db2.gz UVUHCAWRWCKXGI-UHFFFAOYSA-N 1 0 390.487 4.043 20 0 GIADRO CCOc1cc(C[N@H+](C)Cc2ccc(OC(C)=O)cc2)ccc1OC(F)F ZINC000125602757 823689255 /nfs/dbraw/zinc/68/92/55/823689255.db2.gz JRHDUPKOORFDCT-UHFFFAOYSA-N 1 0 379.403 4.244 20 0 GIADRO CCOc1ccc(Nc2ncccc2C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000063693874 823689676 /nfs/dbraw/zinc/68/96/76/823689676.db2.gz KTQWNTFMPKGHKV-GOSISDBHSA-N 1 0 396.535 4.074 20 0 GIADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C2(c3ccc(Br)cc3)CCC2)C1 ZINC000063693773 823689829 /nfs/dbraw/zinc/68/98/29/823689829.db2.gz QIFDYLHMUXUTFH-MRXNPFEDSA-N 1 0 393.369 4.107 20 0 GIADRO O[C@@H](C[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1)c1ccccc1 ZINC000191486566 823690201 /nfs/dbraw/zinc/69/02/01/823690201.db2.gz IVFCRWSEZHEYTM-PMACEKPBSA-N 1 0 390.321 4.240 20 0 GIADRO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(OC2CCCCC2)CC1)c1ccc(F)cc1 ZINC000125615755 823690224 /nfs/dbraw/zinc/69/02/24/823690224.db2.gz QUIRLFUWVFSUPT-IAGOWNOFSA-N 1 0 376.516 4.205 20 0 GIADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccccc2OCc2ccc(Cl)cc2)C1 ZINC000063707060 823690254 /nfs/dbraw/zinc/69/02/54/823690254.db2.gz PIZWLVOVCXRFDS-SFHVURJKSA-N 1 0 386.923 4.379 20 0 GIADRO Cc1ccc(Oc2ccc(OCC(=O)NC[C@H]3CCC[N@@H+](C(C)C)C3)cc2)cc1 ZINC000063710776 823690305 /nfs/dbraw/zinc/69/03/05/823690305.db2.gz WPARHUZEBVIMFD-HXUWFJFHSA-N 1 0 396.531 4.403 20 0 GIADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)Cc2csc(-c3ccc(Cl)s3)n2)C1 ZINC000063710834 823690533 /nfs/dbraw/zinc/69/05/33/823690533.db2.gz CXLNYODWIIDXQT-CYBMUJFWSA-N 1 0 397.997 4.304 20 0 GIADRO Cc1csc(C[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)n1 ZINC000191491955 823690726 /nfs/dbraw/zinc/69/07/26/823690726.db2.gz MLGCHNPKNPABQP-QGZVFWFLSA-N 1 0 381.339 4.472 20 0 GIADRO CSc1ccc2cc(C[N@@H+]3CCCC[C@H]3[C@H]3CNC(=O)C3)c(Cl)nc2c1 ZINC000125623391 823690985 /nfs/dbraw/zinc/69/09/85/823690985.db2.gz ZICRRIMKBHQLEK-KDOFPFPSSA-N 1 0 389.952 4.101 20 0 GIADRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(CN3CCCC3=O)c1)CCS2 ZINC000191495094 823691244 /nfs/dbraw/zinc/69/12/44/823691244.db2.gz QMVABHXETPKCJY-FQEVSTJZSA-N 1 0 382.529 4.144 20 0 GIADRO CC[NH+](CC)[C@@H](CN[C@@H](c1ncc[nH]1)c1ccccc1)c1cccc(OC)c1 ZINC000125630669 823691556 /nfs/dbraw/zinc/69/15/56/823691556.db2.gz CAQPVISAXMABQW-FCHUYYIVSA-N 1 0 378.520 4.180 20 0 GIADRO CCCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)c1C ZINC000063723392 823691757 /nfs/dbraw/zinc/69/17/57/823691757.db2.gz QLIARJIMPOLKBB-PGMHBOJBSA-N 1 0 384.568 4.145 20 0 GIADRO CCN(C(=O)NC[C@@H]1COc2ccccc21)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000461752240 823691835 /nfs/dbraw/zinc/69/18/35/823691835.db2.gz RUZKQBHZLQILRK-HMXCVIKNSA-N 1 0 393.531 4.030 20 0 GIADRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2c3c(sc2-n2cccc2)CCCC3)CC1 ZINC000063724931 823691924 /nfs/dbraw/zinc/69/19/24/823691924.db2.gz SHPOWOVKRGVGOC-UHFFFAOYSA-N 1 0 385.577 4.364 20 0 GIADRO CCC[NH+]1CCC(NC(=O)C[C@H](C)c2ccc(F)c(Br)c2)CC1 ZINC000461753837 823692014 /nfs/dbraw/zinc/69/20/14/823692014.db2.gz XYIZVJRKYBOVMR-ZDUSSCGKSA-N 1 0 385.321 4.072 20 0 GIADRO c1cc(N2CCCCC2)ccc1-c1noc([C@H]2CCC[N@@H+]2C2CCOCC2)n1 ZINC000125640507 823692583 /nfs/dbraw/zinc/69/25/83/823692583.db2.gz NQJDHCGLWAVCMB-HXUWFJFHSA-N 1 0 382.508 4.043 20 0 GIADRO C[NH+](C)C1CCN(C(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)CC1 ZINC000063735000 823692698 /nfs/dbraw/zinc/69/26/98/823692698.db2.gz HGQWYXSQNNACDB-UHFFFAOYSA-N 1 0 393.462 4.314 20 0 GIADRO CC[C@@H](C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)C1CCC(C)CC1 ZINC000461759916 823692783 /nfs/dbraw/zinc/69/27/83/823692783.db2.gz SFPNSCANUXQHCS-MTNXOHHFSA-N 1 0 386.580 4.112 20 0 GIADRO C[N@H+](CCCCCc1cc(-c2cccc(F)c2)no1)CC(=O)NC(C)(C)C ZINC000063763914 823694124 /nfs/dbraw/zinc/69/41/24/823694124.db2.gz ADRCTRNPKZJJHU-UHFFFAOYSA-N 1 0 375.488 4.040 20 0 GIADRO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1cc(-c2ccc(Cl)s2)on1 ZINC000063771284 823694480 /nfs/dbraw/zinc/69/44/80/823694480.db2.gz DBDWSGGOETVKAM-UHFFFAOYSA-N 1 0 381.929 4.393 20 0 GIADRO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1ccccc1OCc1cscn1 ZINC000063771598 823694715 /nfs/dbraw/zinc/69/47/15/823694715.db2.gz AACKLPAWLLBGIS-UHFFFAOYSA-N 1 0 387.549 4.059 20 0 GIADRO COc1cc(Br)cc(C)c1NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000063785064 823695651 /nfs/dbraw/zinc/69/56/51/823695651.db2.gz DRXIQUKRSZINSH-UHFFFAOYSA-N 1 0 398.345 4.104 20 0 GIADRO Cc1ccc(C[NH2+][C@@H](C)c2cc(Cl)ccc2O)c(-n2cc(Cl)cn2)n1 ZINC000191528016 823695691 /nfs/dbraw/zinc/69/56/91/823695691.db2.gz JCYUSGZCTBKMAJ-LBPRGKRZSA-N 1 0 377.275 4.439 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2ccc(C)nc2-n2cc(Cl)cn2)c1 ZINC000191528190 823695756 /nfs/dbraw/zinc/69/57/56/823695756.db2.gz POGWJKNQEUYVQK-CQSZACIVSA-N 1 0 383.883 4.038 20 0 GIADRO COc1ccc2c(c1)[C@@H]([NH2+]CCCC(=O)N1CCc3ccccc31)CCS2 ZINC000191530411 823696118 /nfs/dbraw/zinc/69/61/18/823696118.db2.gz IIPHJMLFCJQRHN-IBGZPJMESA-N 1 0 382.529 4.191 20 0 GIADRO CCCCn1c(SC[C@H]2CCCC[N@@H+]2C(C)C)nnc1[C@H](CC)N(C)C ZINC000412979823 823696529 /nfs/dbraw/zinc/69/65/29/823696529.db2.gz DCFUZHJYTNHQBM-MSOLQXFVSA-N 1 0 381.634 4.446 20 0 GIADRO Cc1cccc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)c1Br ZINC000191542362 823697886 /nfs/dbraw/zinc/69/78/86/823697886.db2.gz FXLDRIHMSQWLNK-INIZCTEOSA-N 1 0 389.337 4.445 20 0 GIADRO COC(=O)COc1ccccc1[C@@H](C)[NH2+]Cc1ccc(C(F)(F)F)cc1C ZINC000191555244 823699097 /nfs/dbraw/zinc/69/90/97/823699097.db2.gz CHVVZQMVGPTXCA-CQSZACIVSA-N 1 0 381.394 4.416 20 0 GIADRO CCOC(=O)N1CCC([NH2+][C@H](C)c2cc(Cl)ccc2OC(F)F)CC1 ZINC000125715136 823699366 /nfs/dbraw/zinc/69/93/66/823699366.db2.gz RQPBIBMDNXCEQW-LLVKDONJSA-N 1 0 376.831 4.213 20 0 GIADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2csc(-c3ccccc3F)n2)o1 ZINC000063827594 823699875 /nfs/dbraw/zinc/69/98/75/823699875.db2.gz ORAMLNAJVLUKDH-UHFFFAOYSA-N 1 0 387.480 4.055 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2c(Cl)c3ccccc3n2C)C1 ZINC000063828021 823700029 /nfs/dbraw/zinc/70/00/29/823700029.db2.gz SQXSXYCZSUWNBD-IYBDPMFKSA-N 1 0 375.944 4.320 20 0 GIADRO COc1cccc(-c2noc([C@H](C)NC3CC[NH+](C4CCCCC4)CC3)n2)c1 ZINC000191567289 823701071 /nfs/dbraw/zinc/70/10/71/823701071.db2.gz FOUXSADSNXOJMS-INIZCTEOSA-N 1 0 384.524 4.193 20 0 GIADRO Cc1cccc2c(Cc3noc(-c4ccccc4OCC[NH+](C)C)n3)c[nH]c21 ZINC000574316472 823701543 /nfs/dbraw/zinc/70/15/43/823701543.db2.gz GBRAJVYSDNSWDM-UHFFFAOYSA-N 1 0 376.460 4.058 20 0 GIADRO Cc1nnc(CC[NH2+]Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)s1 ZINC000574323015 823702618 /nfs/dbraw/zinc/70/26/18/823702618.db2.gz WKSGNAQZHKIDMW-UHFFFAOYSA-N 1 0 384.452 4.321 20 0 GIADRO C[C@@H]([NH2+][C@@H](COc1ccccc1F)C(C)(C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000163348261 823703072 /nfs/dbraw/zinc/70/30/72/823703072.db2.gz CAVXCGMHYHIEDZ-QRWLVFNGSA-N 1 0 393.524 4.374 20 0 GIADRO CSC1(C[NH2+][C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CCC1 ZINC000574329002 823703476 /nfs/dbraw/zinc/70/34/76/823703476.db2.gz WICJUUZDPQCPSE-LBPRGKRZSA-N 1 0 379.879 4.208 20 0 GIADRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)C1 ZINC000063865814 823703874 /nfs/dbraw/zinc/70/38/74/823703874.db2.gz JBBGNGDJAUDOHF-IBGZPJMESA-N 1 0 388.515 4.001 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@H]2CCN(c3cccc(Cl)c3)C2)cc(OC)c1OC ZINC000163368187 823704559 /nfs/dbraw/zinc/70/45/59/823704559.db2.gz BTWQAGWGKUUKLB-PBHICJAKSA-N 1 0 390.911 4.295 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1)c1cccc(N2CCOC2=O)c1 ZINC000163371795 823704620 /nfs/dbraw/zinc/70/46/20/823704620.db2.gz VLQUWYVHDKHQIU-CRAIPNDOSA-N 1 0 385.895 4.226 20 0 GIADRO Cc1cc(-c2nnc(C[N@@H+]3CCC[C@@H]3C[C@H](O)c3ccc(F)cc3)o2)c(C)o1 ZINC000163389059 823705887 /nfs/dbraw/zinc/70/58/87/823705887.db2.gz AGRCQKADKKFEGR-MJGOQNOKSA-N 1 0 385.439 4.174 20 0 GIADRO CC[C@H](C(=O)N(Cc1ccccc1)[C@H](C)c1cccc(NC(C)=O)c1)[NH+](C)C ZINC000413093929 823706101 /nfs/dbraw/zinc/70/61/01/823706101.db2.gz APGBVBANNOCVQH-VGOFRKELSA-N 1 0 381.520 4.075 20 0 GIADRO O=C1[C@@H]([NH+]2CCC(c3c[nH]c4cc(F)ccc43)CC2)CCCN1CC(F)(F)F ZINC000163438409 823709208 /nfs/dbraw/zinc/70/92/08/823709208.db2.gz TXTFXKYNUXOQNA-SFHVURJKSA-N 1 0 397.416 4.040 20 0 GIADRO CCCCO[C@@H]1C[C@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2OC(F)F)C1(C)C ZINC000574365795 823709753 /nfs/dbraw/zinc/70/97/53/823709753.db2.gz FWJBGJJQOOOVTF-RRQGHBQHSA-N 1 0 384.467 4.188 20 0 GIADRO COCCCOc1cccc(C[NH2+]Cc2cc(Br)ccc2F)c1 ZINC000063912403 823710169 /nfs/dbraw/zinc/71/01/69/823710169.db2.gz XGIOJLYUCBDDGU-UHFFFAOYSA-N 1 0 382.273 4.293 20 0 GIADRO C[C@@H](CNCc1ncn(Cc2cccc(F)c2)n1)c1ccc(C(F)(F)F)cc1 ZINC000574366373 823710268 /nfs/dbraw/zinc/71/02/68/823710268.db2.gz RFVKPPNFLGMEDI-AWEZNQCLSA-N 1 0 392.400 4.378 20 0 GIADRO O=C(Nc1ccc(OCC(F)(F)F)cc1)c1cccc(C[NH+]2CCCC2)c1 ZINC000063914931 823710524 /nfs/dbraw/zinc/71/05/24/823710524.db2.gz OIDXKGKCXHUUDO-UHFFFAOYSA-N 1 0 378.394 4.476 20 0 GIADRO CC(C)[C@H](NC(=O)c1cccc(C[NH+]2CCCC2)c1)c1ccc2c(c1)OCCO2 ZINC000063913836 823710669 /nfs/dbraw/zinc/71/06/69/823710669.db2.gz REMYEMFLUCHWGR-QHCPKHFHSA-N 1 0 394.515 4.181 20 0 GIADRO C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1)c1nnc(-c2ccccc2)o1 ZINC000574368940 823710807 /nfs/dbraw/zinc/71/08/07/823710807.db2.gz URXCQYLFEQRCGS-ZOCIIQOWSA-N 1 0 382.895 4.486 20 0 GIADRO COc1cc(C[NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)ccc1SC ZINC000063915384 823711087 /nfs/dbraw/zinc/71/10/87/823711087.db2.gz HBSFYFIQKULXRL-UHFFFAOYSA-N 1 0 396.512 4.230 20 0 GIADRO COc1cc(C[NH2+]C[C@@H]2CCCCN2C(=O)OC(C)(C)C)ccc1SC ZINC000063916692 823711123 /nfs/dbraw/zinc/71/11/23/823711123.db2.gz ZMDBWYSNLMOZSQ-INIZCTEOSA-N 1 0 380.554 4.296 20 0 GIADRO Brc1cccc(C[C@@H](CC2CC2)[NH2+]Cc2c[nH]c3nccnc23)c1 ZINC000574371803 823711421 /nfs/dbraw/zinc/71/14/21/823711421.db2.gz JWWZCDDDHXWBOQ-QGZVFWFLSA-N 1 0 385.309 4.173 20 0 GIADRO C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[NH+]1CCC(c2ccncc2)CC1 ZINC000191613079 823712768 /nfs/dbraw/zinc/71/27/68/823712768.db2.gz GBSOGFXAXFFDEZ-CQSZACIVSA-N 1 0 393.409 4.187 20 0 GIADRO O=C(N[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1)NC1CC[NH+](CC2CC2)CC1 ZINC000413137432 823713686 /nfs/dbraw/zinc/71/36/86/823713686.db2.gz LQMMRCCBSXFUPL-FXAWDEMLSA-N 1 0 375.944 4.150 20 0 GIADRO C[C@@H](C(=O)Nc1ccc(Cl)cc1NC(=O)c1ccco1)[NH+]1[C@H](C)CC[C@H]1C ZINC000413140340 823714186 /nfs/dbraw/zinc/71/41/86/823714186.db2.gz FYXOLKXAIQOOEU-MCIONIFRSA-N 1 0 389.883 4.385 20 0 GIADRO Cc1nc(-c2cc([C@@H](C)[NH2+][C@@H]3CCN(CC(F)(F)F)C3)cs2)cs1 ZINC000125803081 823714772 /nfs/dbraw/zinc/71/47/72/823714772.db2.gz ARWPLIBMYIZSGA-ZWNOBZJWSA-N 1 0 375.485 4.467 20 0 GIADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)CCc1cc(Cl)ccc1Br ZINC000574387901 823716868 /nfs/dbraw/zinc/71/68/68/823716868.db2.gz UPVDCYOHPIBNCU-GUYCJALGSA-N 1 0 399.760 4.120 20 0 GIADRO CCCCOc1cc(C[NH2+]C2CCN(C(=O)c3ccccc3)CC2)ccc1OC ZINC000191622838 823716889 /nfs/dbraw/zinc/71/68/89/823716889.db2.gz WIMOPSPGXAOBAZ-UHFFFAOYSA-N 1 0 396.531 4.269 20 0 GIADRO C[C@@H]1C[C@@H]([NH2+][C@H](CO)c2ccc(Br)cc2C(F)(F)F)C[C@H](C)O1 ZINC000574395241 823718573 /nfs/dbraw/zinc/71/85/73/823718573.db2.gz GQIAWQINBUZBII-KVQFHVITSA-N 1 0 396.247 4.047 20 0 GIADRO C[C@H](C(=O)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000574398153 823719689 /nfs/dbraw/zinc/71/96/89/823719689.db2.gz QNMUGMTUYFPYJI-BOUXLOLZSA-N 1 0 394.412 4.439 20 0 GIADRO COc1ccccc1-c1nc(C2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)no1 ZINC000191633421 823720083 /nfs/dbraw/zinc/72/00/83/823720083.db2.gz OGWIAGNYYLYGEK-UHFFFAOYSA-N 1 0 391.471 4.060 20 0 GIADRO CC[NH+](CC)Cc1cccc(CN[C@H](C)c2nnn(-c3ccc(F)cc3)c2C)c1 ZINC000163556369 823721527 /nfs/dbraw/zinc/72/15/27/823721527.db2.gz HBLAWFANSMGBQA-QGZVFWFLSA-N 1 0 395.526 4.407 20 0 GIADRO CSc1cc(C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)ccc1F ZINC000163563566 823722422 /nfs/dbraw/zinc/72/24/22/823722422.db2.gz NLHIWYMYNPYEFV-RDTXWAMCSA-N 1 0 378.538 4.422 20 0 GIADRO CC[NH+](CC)Cc1ccc(CN[C@H](C)c2nnn(-c3ccc(F)cc3)c2C)cc1 ZINC000163567186 823722921 /nfs/dbraw/zinc/72/29/21/823722921.db2.gz QMBFKZNVUZJPTD-QGZVFWFLSA-N 1 0 395.526 4.407 20 0 GIADRO C[N@H+](CC1CC1)C[C@H]1CCN(c2nc(C(F)F)nc3ccc(Cl)cc32)C1 ZINC000413183616 823723257 /nfs/dbraw/zinc/72/32/57/823723257.db2.gz MTHKOXRBYTZXFF-CYBMUJFWSA-N 1 0 380.870 4.389 20 0 GIADRO Cc1cn(-c2c(F)cccc2F)nc1C(=O)Nc1ccc(C)cc1C[NH+](C)C ZINC000191654521 823724903 /nfs/dbraw/zinc/72/49/03/823724903.db2.gz BTSFAPMUOZAHGI-UHFFFAOYSA-N 1 0 384.430 4.081 20 0 GIADRO C[NH+]1CCC([C@@H]2CCN(c3nc(C(F)F)nc4ccc(Cl)cc43)C2)CC1 ZINC000413201051 823726746 /nfs/dbraw/zinc/72/67/46/823726746.db2.gz KUXAUUKBXTVSHS-CYBMUJFWSA-N 1 0 380.870 4.389 20 0 GIADRO O=C(CC[NH+]1CCC(c2ccncc2)CC1)Nc1cccc(Br)c1 ZINC000191670473 823728650 /nfs/dbraw/zinc/72/86/50/823728650.db2.gz YYJTWLHILUPQPG-UHFFFAOYSA-N 1 0 388.309 4.052 20 0 GIADRO COc1ccc(OCc2nc(C[NH2+]C[C@](C)(O)C3CCCCC3)cs2)cc1 ZINC000191669442 823728836 /nfs/dbraw/zinc/72/88/36/823728836.db2.gz GSXYXZGULZNWAZ-NRFANRHFSA-N 1 0 390.549 4.152 20 0 GIADRO COC1CCN(CC[NH2+][C@H](C)c2sc(-c3ccc(F)cc3)nc2C)CC1 ZINC000163628141 823729093 /nfs/dbraw/zinc/72/90/93/823729093.db2.gz AVRDHSXCGKFHHN-CQSZACIVSA-N 1 0 377.529 4.019 20 0 GIADRO COc1ccccc1[C@@H](NC(=O)N1CCC(CCC[NH+](C)C)CC1)c1ccco1 ZINC000163640017 823730692 /nfs/dbraw/zinc/73/06/92/823730692.db2.gz LAIZIIUYTIVSFS-JOCHJYFZSA-N 1 0 399.535 4.141 20 0 GIADRO O=C(CC[NH+]1CCC(c2ccncc2)CC1)Nc1ccccc1Br ZINC000191679386 823731049 /nfs/dbraw/zinc/73/10/49/823731049.db2.gz UMWXVCRCWSBDDW-UHFFFAOYSA-N 1 0 388.309 4.052 20 0 GIADRO Fc1ccc(OC2CC[NH+](Cc3ccc(OCC(F)(F)F)cc3)CC2)cn1 ZINC000191680783 823731661 /nfs/dbraw/zinc/73/16/61/823731661.db2.gz LTWQWOOKMJCMOL-UHFFFAOYSA-N 1 0 384.373 4.205 20 0 GIADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000574444330 823732594 /nfs/dbraw/zinc/73/25/94/823732594.db2.gz YPRIOBXVZCAAOE-CXAGYDPISA-N 1 0 391.309 4.115 20 0 GIADRO C/C(=C\c1ccccc1)C[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191686644 823733896 /nfs/dbraw/zinc/73/38/96/823733896.db2.gz KMGDWBAAFAPIPK-WYMLVPIESA-N 1 0 382.455 4.173 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@H]1CC(C)(C)c2ccccc21 ZINC000163667344 823734685 /nfs/dbraw/zinc/73/46/85/823734685.db2.gz BZUVTUGBWXIBMP-QFIPXVFZSA-N 1 0 392.547 4.362 20 0 GIADRO CC(C)[NH+](CCNC(=O)c1ccc(N2CCc3ccccc3C2)cc1)C(C)C ZINC000064022042 823734880 /nfs/dbraw/zinc/73/48/80/823734880.db2.gz LMWCLBFTEJUAEO-UHFFFAOYSA-N 1 0 379.548 4.098 20 0 GIADRO O=C(Nc1ccc(Cl)c(C(=O)NC2CC2)c1)c1cccc(C[NH+]2CCCC2)c1 ZINC000064026578 823735518 /nfs/dbraw/zinc/73/55/18/823735518.db2.gz CIGLVLXAHGFMNF-UHFFFAOYSA-N 1 0 397.906 4.080 20 0 GIADRO CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc(S(=O)(=O)C(F)F)c(OC)c1 ZINC000163675895 823735583 /nfs/dbraw/zinc/73/55/83/823735583.db2.gz YZQZPNVMZSDZBR-WMLDXEAASA-N 1 0 397.487 4.363 20 0 GIADRO COCCCCN(Cc1ccccc1)C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000064027937 823736869 /nfs/dbraw/zinc/73/68/69/823736869.db2.gz OQAMZWKCJHZQKZ-UHFFFAOYSA-N 1 0 380.532 4.351 20 0 GIADRO CC(C)([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(OC(F)(F)F)cc1 ZINC000191695625 823738025 /nfs/dbraw/zinc/73/80/25/823738025.db2.gz NVJDVQNHZNTSQY-INIZCTEOSA-N 1 0 384.354 4.052 20 0 GIADRO CCN(CC)C(=O)CCC1CCN(c2cc[nH+]c3cc(OC)c(OC)cc32)CC1 ZINC000413249142 823738180 /nfs/dbraw/zinc/73/81/80/823738180.db2.gz SMYOIVQNZPAEDH-UHFFFAOYSA-N 1 0 399.535 4.117 20 0 GIADRO C[C@@H](Oc1cccnc1NC(=O)N1CCC[C@H]([NH+](C)C)CC1)c1ccccc1 ZINC000574467873 823738214 /nfs/dbraw/zinc/73/82/14/823738214.db2.gz RTLZJUZZHIVZLM-MJGOQNOKSA-N 1 0 382.508 4.170 20 0 GIADRO COc1ccc2c(c1)C[C@@H]([NH2+][C@H](c1cncc(Br)c1)C1CC1)CC2 ZINC000574469987 823738530 /nfs/dbraw/zinc/73/85/30/823738530.db2.gz WTLDAWJEZGVGTO-ICSRJNTNSA-N 1 0 387.321 4.451 20 0 GIADRO CC[C@@H](NC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)c1ccccc1 ZINC000413263176 823741223 /nfs/dbraw/zinc/74/12/23/823741223.db2.gz GUFWTWSULVQHPZ-SIKLNZKXSA-N 1 0 395.547 4.337 20 0 GIADRO Cc1cc2ncn(C[C@H](O)C[NH2+]Cc3c(Cl)cccc3Cl)c2cc1C ZINC000574484270 823743359 /nfs/dbraw/zinc/74/33/59/823743359.db2.gz QKWSBCMVJXZCIV-CQSZACIVSA-N 1 0 378.303 4.111 20 0 GIADRO CC(=O)c1ccc2c(c1)CN(C(=O)NC1CC[NH+]([C@H](C)c3ccccc3)CC1)C2 ZINC000413276989 823743731 /nfs/dbraw/zinc/74/37/31/823743731.db2.gz FYWFOODSCSZYAF-QGZVFWFLSA-N 1 0 391.515 4.140 20 0 GIADRO CC(C)C[NH+]1CCC(NC(=O)Nc2cccc(Cl)c2Br)CC1 ZINC000191714186 823744146 /nfs/dbraw/zinc/74/41/46/823744146.db2.gz MJKJUQBNWONCMU-UHFFFAOYSA-N 1 0 388.737 4.344 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)c1nc(-c2ccccc2)cs1 ZINC000163751052 823745023 /nfs/dbraw/zinc/74/50/23/823745023.db2.gz LOYVYRPYCCBTGZ-SFHVURJKSA-N 1 0 393.556 4.493 20 0 GIADRO COC[C@@H](C)[C@H](C)C(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000461901171 823745189 /nfs/dbraw/zinc/74/51/89/823745189.db2.gz VGHYGSYSFHXMER-UXHICEINSA-N 1 0 394.559 4.484 20 0 GIADRO C[C@@H]1CCC[C@@H](OCCCCCC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)C1 ZINC000163760839 823745877 /nfs/dbraw/zinc/74/58/77/823745877.db2.gz PUTCTSBFTZDDTE-YPAWHYETSA-N 1 0 378.601 4.477 20 0 GIADRO CC[C@@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1cc(Cl)ccc1OC ZINC000163776838 823747624 /nfs/dbraw/zinc/74/76/24/823747624.db2.gz USDKNRRVDHFFNO-LJQANCHMSA-N 1 0 390.911 4.057 20 0 GIADRO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]Cc1cccc(OCC(=O)N(C)C)c1 ZINC000163817323 823751353 /nfs/dbraw/zinc/75/13/53/823751353.db2.gz TVMFAPQVPIEHKD-CQSZACIVSA-N 1 0 389.565 4.067 20 0 GIADRO Cc1ccccc1-c1nn(CN2CC[NH+](CC3CCCCC3)CC2)c(=S)o1 ZINC000064128423 823752005 /nfs/dbraw/zinc/75/20/05/823752005.db2.gz VUMNWPPBJYVUFY-UHFFFAOYSA-N 1 0 386.565 4.336 20 0 GIADRO CCN(C(=O)CN1CC[NH+](CC2CCCCC2)CC1)c1cccc2ccccc21 ZINC000064129923 823752254 /nfs/dbraw/zinc/75/22/54/823752254.db2.gz YNPIZNZDOHJSEK-UHFFFAOYSA-N 1 0 393.575 4.391 20 0 GIADRO C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000064129617 823752522 /nfs/dbraw/zinc/75/25/22/823752522.db2.gz SVDBXDSGTGBRHZ-MRXNPFEDSA-N 1 0 397.485 4.230 20 0 GIADRO CN(C)C(=O)COc1cccc(C[NH2+][C@H]2CCSc3c(Cl)cccc32)c1 ZINC000163830571 823752607 /nfs/dbraw/zinc/75/26/07/823752607.db2.gz YINCHVWLXSXAHK-SFHVURJKSA-N 1 0 390.936 4.134 20 0 GIADRO CCCNC(=O)C1CC[NH+](Cc2ccc(OCc3ccc(F)cc3)cc2)CC1 ZINC000064140247 823753611 /nfs/dbraw/zinc/75/36/11/823753611.db2.gz CZECFZUFYSPPNS-UHFFFAOYSA-N 1 0 384.495 4.143 20 0 GIADRO [NH3+][C@H]1CCCC[C@@H]1CC(=O)Nc1nc(-c2ccccc2OC(F)F)cs1 ZINC000574516999 823753962 /nfs/dbraw/zinc/75/39/62/823753962.db2.gz MKJGNGPNXFFZHK-YPMHNXCESA-N 1 0 381.448 4.258 20 0 GIADRO [NH3+][C@@H]1CCCC[C@H]1CC(=O)Nc1nc(-c2ccccc2OC(F)F)cs1 ZINC000574516998 823754054 /nfs/dbraw/zinc/75/40/54/823754054.db2.gz MKJGNGPNXFFZHK-WCQYABFASA-N 1 0 381.448 4.258 20 0 GIADRO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)nc2)C1 ZINC000125969124 823755953 /nfs/dbraw/zinc/75/59/53/823755953.db2.gz HFWXELVSLRMWBQ-LJQANCHMSA-N 1 0 377.536 4.458 20 0 GIADRO CCOc1cc(C[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)ccc1OC(F)F ZINC000163880929 823756250 /nfs/dbraw/zinc/75/62/50/823756250.db2.gz ONHCWVHKHJWDIX-SRGMZFCMSA-N 1 0 383.460 4.275 20 0 GIADRO C[C@@H]1CCCN(c2cc(C(=O)N3CCC[N@H+](CC4CCCCC4)CC3)ccn2)C1 ZINC000461924436 823758102 /nfs/dbraw/zinc/75/81/02/823758102.db2.gz VFBBOZHPQNYSLL-HXUWFJFHSA-N 1 0 398.595 4.046 20 0 GIADRO Cc1nc(C(F)(F)F)sc1C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000461924911 823758499 /nfs/dbraw/zinc/75/84/99/823758499.db2.gz ZCUTULGURYISQK-UHFFFAOYSA-N 1 0 389.487 4.199 20 0 GIADRO Cc1cccc2c(CC(=O)Nc3cccc(C[NH+]4CCSCC4)c3)c[nH]c21 ZINC000125983245 823759203 /nfs/dbraw/zinc/75/92/03/823759203.db2.gz KIJAZDWNCWUMSF-UHFFFAOYSA-N 1 0 379.529 4.206 20 0 GIADRO O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)N[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000163912795 823759815 /nfs/dbraw/zinc/75/98/15/823759815.db2.gz ZTFADGQAPQBNPM-XPWALMASSA-N 1 0 393.531 4.043 20 0 GIADRO COc1cc(C[N@H+](C)CC2=Cc3cc(Br)ccc3OC2)ccc1O ZINC000125984859 823760061 /nfs/dbraw/zinc/76/00/61/823760061.db2.gz SXHHXDZGOWNAOO-UHFFFAOYSA-N 1 0 390.277 4.071 20 0 GIADRO O=C(CCCc1cc(F)ccc1F)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000125988206 823760988 /nfs/dbraw/zinc/76/09/88/823760988.db2.gz VSFPLZZUZCFXTC-MRXNPFEDSA-N 1 0 392.515 4.377 20 0 GIADRO CS(=O)(=O)Cc1ccccc1C[NH2+][C@@H](Cc1ccccc1F)c1ccccc1 ZINC000191772571 823763006 /nfs/dbraw/zinc/76/30/06/823763006.db2.gz PLFJRSYUMJTBEX-QHCPKHFHSA-N 1 0 397.515 4.444 20 0 GIADRO CC1(C(=O)NCc2nc(C(F)(F)F)cs2)CC[NH+](Cc2ccccc2)CC1 ZINC000163953297 823765461 /nfs/dbraw/zinc/76/54/61/823765461.db2.gz CMQWSZOTRSILTF-UHFFFAOYSA-N 1 0 397.466 4.080 20 0 GIADRO CC[C@H](C(=O)N[C@H](C)c1ccc(-n2ccnc2C)cc1)[N@H+](C)Cc1ccccc1 ZINC000574562335 823767465 /nfs/dbraw/zinc/76/74/65/823767465.db2.gz CIHPWJCCVHZCDM-WZONZLPQSA-N 1 0 390.531 4.269 20 0 GIADRO CC[C@@H](C(=O)N[C@@H](C)c1ccc(-n2ccnc2C)cc1)[N@H+](C)Cc1ccccc1 ZINC000574562334 823767650 /nfs/dbraw/zinc/76/76/50/823767650.db2.gz CIHPWJCCVHZCDM-MBSDFSHPSA-N 1 0 390.531 4.269 20 0 GIADRO [NH3+]C1(c2noc([C@@H]3C[C@]34CCc3cc(Br)ccc34)n2)CCCCC1 ZINC000574564562 823768353 /nfs/dbraw/zinc/76/83/53/823768353.db2.gz ZZQSKBINVBLNJV-YJBOKZPZSA-N 1 0 388.309 4.322 20 0 GIADRO CCn1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(OCc3ccncc3)c(OC)c2)cn1 ZINC000164032808 823771915 /nfs/dbraw/zinc/77/19/15/823771915.db2.gz UTXOYNKAWMFQTD-DLBZAZTESA-N 1 0 380.492 4.297 20 0 GIADRO CCn1cc([C@@H](C)[NH2+][C@H](C)c2ccc(OCc3ccncc3)c(OC)c2)cn1 ZINC000164033035 823772166 /nfs/dbraw/zinc/77/21/66/823772166.db2.gz UTXOYNKAWMFQTD-IAGOWNOFSA-N 1 0 380.492 4.297 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@H](C)c2cnc(C)nc2C)ccc1OCc1ccncc1 ZINC000164048103 823773070 /nfs/dbraw/zinc/77/30/70/823773070.db2.gz FLZYXLJCWBZAFH-JKSUJKDBSA-N 1 0 392.503 4.488 20 0 GIADRO Brc1ccc(-c2nnc(SCCC[NH+]3CCCCC3)o2)cc1 ZINC000191801987 823773471 /nfs/dbraw/zinc/77/34/71/823773471.db2.gz QWZSDWVBMBVAIA-UHFFFAOYSA-N 1 0 382.327 4.467 20 0 GIADRO Cc1ccccc1OC[C@H](O)C[NH2+]Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000574595274 823775356 /nfs/dbraw/zinc/77/53/56/823775356.db2.gz SPAULUGVCUFBPV-JOCHJYFZSA-N 1 0 395.474 4.243 20 0 GIADRO CCN(Cc1occc1C)C(=O)N[C@@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000413429059 823776303 /nfs/dbraw/zinc/77/63/03/823776303.db2.gz AUEZXCPGYRCVLI-IRLDBZIGSA-N 1 0 397.519 4.106 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)N(C)Cc2ccc(OC(F)F)cc2)c1 ZINC000064229892 823776400 /nfs/dbraw/zinc/77/64/00/823776400.db2.gz CAQRFYRFXSKKQW-UHFFFAOYSA-N 1 0 391.462 4.081 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CC(C)(C)NC(=O)OC(C)(C)C ZINC000164091553 823776818 /nfs/dbraw/zinc/77/68/18/823776818.db2.gz HSIHUUVINCXFKS-ZDUSSCGKSA-N 1 0 390.553 4.467 20 0 GIADRO COc1ccc(CN(C)C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1Cl ZINC000413434317 823777305 /nfs/dbraw/zinc/77/73/05/823777305.db2.gz DKTULEXOBWOJLY-WBVHZDCISA-N 1 0 393.959 4.143 20 0 GIADRO COc1cc(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)cc(Cl)c1OC ZINC000574606310 823778816 /nfs/dbraw/zinc/77/88/16/823778816.db2.gz KIYRIOLQRSZDJN-GGPKGHCWSA-N 1 0 387.907 4.362 20 0 GIADRO OC[C@@H]1C[N@H+](Cc2ccccc2OCc2ccccc2)CC[C@@H]1C(F)(F)F ZINC000574606153 823778984 /nfs/dbraw/zinc/77/89/84/823778984.db2.gz FWQLKJQSRYWKJK-OALUTQOASA-N 1 0 379.422 4.258 20 0 GIADRO COc1ccc(C[N@@H+]2CCC[C@@H](c3nc(C(F)(F)F)cn3C)C2)cc1Cl ZINC000574606115 823779063 /nfs/dbraw/zinc/77/90/63/823779063.db2.gz FGYUGIGKTUWAOT-CYBMUJFWSA-N 1 0 387.833 4.481 20 0 GIADRO Cc1ccc(C(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)c(Cl)c1 ZINC000191814984 823779767 /nfs/dbraw/zinc/77/97/67/823779767.db2.gz WOCWIFUJMPIXDC-QGZVFWFLSA-N 1 0 386.923 4.278 20 0 GIADRO Cc1cc(NC(=O)NCCC[NH+]2CCC(C)CC2)ccc1Oc1cccnc1 ZINC000064242937 823779915 /nfs/dbraw/zinc/77/99/15/823779915.db2.gz ZEZVZWXPAGVDCB-UHFFFAOYSA-N 1 0 382.508 4.426 20 0 GIADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccccc1SCc1c(C)noc1C ZINC000574612611 823781363 /nfs/dbraw/zinc/78/13/63/823781363.db2.gz WQCBAZMGWWQXEW-OAHLLOKOSA-N 1 0 389.565 4.434 20 0 GIADRO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H](C)c2cc(C)sc2C)c(OC)c1 ZINC000126081479 823782460 /nfs/dbraw/zinc/78/24/60/823782460.db2.gz ZRFRGLFLHFFSTG-JSGCOSHPSA-N 1 0 376.522 4.450 20 0 GIADRO O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1c(F)c(F)cc(F)c1F ZINC000574614502 823782551 /nfs/dbraw/zinc/78/25/51/823782551.db2.gz RNNMNTHXFLLLDS-OAHLLOKOSA-N 1 0 394.412 4.275 20 0 GIADRO Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000574620300 823783552 /nfs/dbraw/zinc/78/35/52/823783552.db2.gz ADFBMHBMUQHDOF-RZFNWQHOSA-N 1 0 392.547 4.251 20 0 GIADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3csc(-c4ccc(Cl)c(Cl)c4)n3)C[C@@H]21 ZINC000574630688 823786132 /nfs/dbraw/zinc/78/61/32/823786132.db2.gz NEDJLNKKXJXQFO-TYNCELHUSA-N 1 0 396.343 4.316 20 0 GIADRO CCCN(CC[NH+](CC)CC)C(=O)NC[C@@H]1CCCO[C@H]1c1ccc(C)cc1 ZINC000461996219 823787947 /nfs/dbraw/zinc/78/79/47/823787947.db2.gz ULCVJNWQZHGVAL-VXKWHMMOSA-N 1 0 389.584 4.226 20 0 GIADRO CCC(CC)(Cc1nc2ccccc2s1)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000574639400 823788168 /nfs/dbraw/zinc/78/81/68/823788168.db2.gz AAXQQXYKPYILKL-QZTJIDSGSA-N 1 0 399.604 4.493 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@H](C)c2cccc(NS(C)(=O)=O)c2)cc1Cl ZINC000164239589 823788605 /nfs/dbraw/zinc/78/86/05/823788605.db2.gz UDPDIYHMCXYHEE-OLZOCXBDSA-N 1 0 382.913 4.132 20 0 GIADRO C[NH+](C)C[C@@H](CNC(=O)CC1CC(OC(C)(C)C)C1)c1ccc(Cl)cc1 ZINC000574643321 823788926 /nfs/dbraw/zinc/78/89/26/823788926.db2.gz YEMNQZOYLJOVDA-URSIVYNOSA-N 1 0 380.960 4.085 20 0 GIADRO CCCC[C@@H](CC)[NH2+]Cc1cccnc1Oc1cccc(S(C)(=O)=O)c1 ZINC000164258098 823790271 /nfs/dbraw/zinc/79/02/71/823790271.db2.gz YUMJXGURWWZBRN-QGZVFWFLSA-N 1 0 376.522 4.336 20 0 GIADRO Cc1ccc(O[C@@H](C)C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)cc1 ZINC000126114106 823791786 /nfs/dbraw/zinc/79/17/86/823791786.db2.gz HHWWGWQCHDPFHV-KRWDZBQOSA-N 1 0 386.923 4.310 20 0 GIADRO C[C@@H](c1ccccc1F)N1CCC[C@@H]([NH2+]Cc2cccc3cccnc32)C1=O ZINC000574655368 823792181 /nfs/dbraw/zinc/79/21/81/823792181.db2.gz VBVYQDYKNMAQNO-HRAATJIYSA-N 1 0 377.463 4.216 20 0 GIADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)N(CC)Cc1cccc(-c2ccncc2)c1 ZINC000462011379 823793693 /nfs/dbraw/zinc/79/36/93/823793693.db2.gz QNPPFHRHWOWJQV-LJQANCHMSA-N 1 0 382.552 4.401 20 0 GIADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)N(C)Cc1ccc(OC)c(Cl)c1)c1ccco1 ZINC000413537525 823794307 /nfs/dbraw/zinc/79/43/07/823794307.db2.gz WTRHLJUIQDLXBG-YOEHRIQHSA-N 1 0 393.915 4.212 20 0 GIADRO CC[C@@H](NC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000413540758 823794783 /nfs/dbraw/zinc/79/47/83/823794783.db2.gz WEWJQCPEXCNMEM-JOCHJYFZSA-N 1 0 381.520 4.110 20 0 GIADRO CCc1onc(-c2ccccc2)c1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000574666365 823795157 /nfs/dbraw/zinc/79/51/57/823795157.db2.gz DUVSXEURTSFYDD-FXAWDEMLSA-N 1 0 389.499 4.297 20 0 GIADRO C[NH+]1CCN(Cc2cccc(C(=O)Nc3ccccc3Cc3ccccc3)c2)CC1 ZINC000462020440 823797073 /nfs/dbraw/zinc/79/70/73/823797073.db2.gz MFYFFUPSLPWBOD-UHFFFAOYSA-N 1 0 399.538 4.277 20 0 GIADRO CC(C)c1cc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)n(-c2ccccc2)n1 ZINC000574675174 823797272 /nfs/dbraw/zinc/79/72/72/823797272.db2.gz GUOGYZOOCIHWOH-QUCCMNQESA-N 1 0 395.551 4.475 20 0 GIADRO O=C(c1ccccc1Oc1ccccc1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000064346734 823797460 /nfs/dbraw/zinc/79/74/60/823797460.db2.gz QFCYGADSCATWSA-UHFFFAOYSA-N 1 0 394.515 4.053 20 0 GIADRO [NH3+][C@H]1CCCCCC[C@H]1C(=O)Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1 ZINC000164354577 823797863 /nfs/dbraw/zinc/79/78/63/823797863.db2.gz NSRKEROJNNXGAZ-APWZRJJASA-N 1 0 399.514 4.047 20 0 GIADRO FC(F)(F)COc1cccc(CN2CC[NH+](CCc3cccs3)CC2)c1 ZINC000064352406 823799056 /nfs/dbraw/zinc/79/90/56/823799056.db2.gz MLBCFZVSNDHYFS-UHFFFAOYSA-N 1 0 384.467 4.050 20 0 GIADRO Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@H](C)c3ccc(C)cc3C)CC2)cc1 ZINC000462028222 823801628 /nfs/dbraw/zinc/80/16/28/823801628.db2.gz PGTFQKJZRWYKMR-LJQANCHMSA-N 1 0 386.561 4.116 20 0 GIADRO O=C(NCCc1nccs1)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000574689733 823801846 /nfs/dbraw/zinc/80/18/46/823801846.db2.gz RDAHYIDVUGOFCI-UHFFFAOYSA-N 1 0 390.578 4.085 20 0 GIADRO O=C(c1ccccc1NCc1ccco1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000126163081 823802901 /nfs/dbraw/zinc/80/29/01/823802901.db2.gz XXCKFPWDCSPMAX-UHFFFAOYSA-N 1 0 389.499 4.240 20 0 GIADRO CC[C@H]([NH2+]C[C@@H](O)Cc1cccc(Cl)c1)c1nc(C(F)(F)F)cs1 ZINC000574700022 823803964 /nfs/dbraw/zinc/80/39/64/823803964.db2.gz VHLCPTJDJXCVPG-STQMWFEESA-N 1 0 378.847 4.460 20 0 GIADRO Cc1cc(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)c(Cl)cc1F ZINC000164467463 823804416 /nfs/dbraw/zinc/80/44/16/823804416.db2.gz KYTRUUGZKNRXNW-UHFFFAOYSA-N 1 0 378.850 4.321 20 0 GIADRO Fc1ccc(NC(=S)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c(F)c1 ZINC000064377975 823804764 /nfs/dbraw/zinc/80/47/64/823804764.db2.gz MWZZZGJHXWFDAX-ZDUSSCGKSA-N 1 0 381.517 4.225 20 0 GIADRO CC(=O)NC1CCC([NH2+][C@H]2C[C@H](C)CCc3ccc(Br)cc32)CC1 ZINC000574713579 823806534 /nfs/dbraw/zinc/80/65/34/823806534.db2.gz RNOWSFLUFBQWAA-LZVVAOBQSA-N 1 0 393.369 4.500 20 0 GIADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)N[C@H](c3c(Cl)cccc3Cl)C3CC3)[C@@H]2C1 ZINC000462038181 823806773 /nfs/dbraw/zinc/80/67/73/823806773.db2.gz FITSAZQLXQFRAY-NJAPINKUSA-N 1 0 382.335 4.180 20 0 GIADRO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000126187323 823808422 /nfs/dbraw/zinc/80/84/22/823808422.db2.gz UDRBHUOHMYTSRW-DZGCQCFKSA-N 1 0 378.394 4.016 20 0 GIADRO C[C@]12CCC[N@@H+]1C[C@H](c1noc(-c3cc(Oc4ccccc4)ccc3O)n1)OC2 ZINC000574724225 823810210 /nfs/dbraw/zinc/81/02/10/823810210.db2.gz BPXCPJXQEWSWET-DENIHFKCSA-N 1 0 393.443 4.160 20 0 GIADRO CN(C(=O)N[C@H](c1c(Cl)cccc1Cl)C1CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000462050836 823812609 /nfs/dbraw/zinc/81/26/09/823812609.db2.gz BVMLIJAMVNZKCE-KSSFIOAISA-N 1 0 382.335 4.323 20 0 GIADRO Cc1ccc([C@H](C[NH2+][C@@H]2C[C@H](C)Sc3sccc32)N2CCOCC2)o1 ZINC000164636502 823814273 /nfs/dbraw/zinc/81/42/73/823814273.db2.gz JSSJYJWOSHCEAX-UAGQMJEPSA-N 1 0 378.563 4.238 20 0 GIADRO COc1ccccc1[C@H]1[C@@H]([NH3+])CCCN1C(=O)CCSc1ccc(F)cc1 ZINC000574734153 823814206 /nfs/dbraw/zinc/81/42/06/823814206.db2.gz OYICFRBUCKBAFV-RXVVDRJESA-N 1 0 388.508 4.008 20 0 GIADRO [NH3+][C@H](CNC(=O)N(Cc1cccs1)C1Cc2ccccc2C1)c1ccccc1 ZINC000574742168 823815820 /nfs/dbraw/zinc/81/58/20/823815820.db2.gz BJPLJOFQWQHUHG-JOCHJYFZSA-N 1 0 391.540 4.127 20 0 GIADRO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)Nc1ccc(OCc2cccnc2)c(Cl)c1 ZINC000164700259 823816176 /nfs/dbraw/zinc/81/61/76/823816176.db2.gz KYGMDXAOOCFPIV-ALOPSCKCSA-N 1 0 385.895 4.173 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000126237884 823818382 /nfs/dbraw/zinc/81/83/82/823818382.db2.gz AQWFEAWPJBLOGU-HDICACEKSA-N 1 0 397.567 4.369 20 0 GIADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc(-c2ccccc2)nc2onc(C)c21 ZINC000064441403 823819567 /nfs/dbraw/zinc/81/95/67/823819567.db2.gz VGCLNKWRZOOERH-MRXNPFEDSA-N 1 0 394.519 4.439 20 0 GIADRO CN(C(=O)N[C@H]1CC[C@H](c2ccc(Cl)cc2)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000413715822 823824060 /nfs/dbraw/zinc/82/40/60/823824060.db2.gz OFPRRGCLTZBOHR-KWVUDZMESA-N 1 0 375.944 4.243 20 0 GIADRO O=C(NC[C@H]1CCC[NH2+]C1)Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1 ZINC000574782721 823825346 /nfs/dbraw/zinc/82/53/46/823825346.db2.gz QNKLWKSBWZGDCM-ZDUSSCGKSA-N 1 0 394.397 4.014 20 0 GIADRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)c1c[nH]nc1-c1ccc(Cl)cc1)c1ccco1 ZINC000574785082 823826007 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GIADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@H]2C[C@H]2c2cccc(Br)c2)C1 ZINC000064488756 823829628 /nfs/dbraw/zinc/82/96/28/823829628.db2.gz UYTQDWOVUDDKHT-MNEFBYGVSA-N 1 0 393.369 4.181 20 0 GIADRO CC[NH+]1CCC(CNC(=O)CCCc2ccc3c(c2)-c2ccccc2C3)CC1 ZINC000064490557 823830032 /nfs/dbraw/zinc/83/00/32/823830032.db2.gz JJQFPLGMSXDHHI-UHFFFAOYSA-N 1 0 376.544 4.429 20 0 GIADRO CCc1nc2c(s1)[C@H]([NH2+]Cc1cccc(C(=O)NCc3ccco3)c1)CCC2 ZINC000165012769 823830296 /nfs/dbraw/zinc/83/02/96/823830296.db2.gz NVHOPGJOJLJIGL-GOSISDBHSA-N 1 0 395.528 4.396 20 0 GIADRO O=C(NCc1ccco1)c1cccc(C[NH2+][C@@H]2CCCOc3ccccc32)c1 ZINC000165018652 823830486 /nfs/dbraw/zinc/83/04/86/823830486.db2.gz VUOFOVAYGLFVRK-OAQYLSRUSA-N 1 0 376.456 4.213 20 0 GIADRO CC(=O)Nc1ccc(Cl)c(C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1 ZINC000126294461 823832200 /nfs/dbraw/zinc/83/22/00/823832200.db2.gz WKRIKLYMDRTOIH-HNNXBMFYSA-N 1 0 399.922 4.254 20 0 GIADRO COC[C@@H](NCc1cn(-c2ccc(Br)cc2)nc1C)c1ccco1 ZINC000126295609 823832646 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/nfs/dbraw/zinc/84/19/06/823841906.db2.gz HMFMYOSVSYHWLN-LVCYWYKZSA-N 1 0 395.551 4.257 20 0 GIADRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N[C@@H]1CCc2sc(Cl)cc21 ZINC000574848351 823842107 /nfs/dbraw/zinc/84/21/07/823842107.db2.gz MAPWNNNYLXBCEN-DOTOQJQBSA-N 1 0 389.952 4.210 20 0 GIADRO CCc1ccc([C@H](COC)[NH2+]C2CCN(C(=O)c3ccc(Cl)cc3)CC2)o1 ZINC000165291253 823842663 /nfs/dbraw/zinc/84/26/63/823842663.db2.gz ALGDCPAPGLJMLU-IBGZPJMESA-N 1 0 390.911 4.077 20 0 GIADRO Cc1ccc(NC(=O)NC[C@H]2CCCN(Cc3ccn(C4CCCC4)n3)C2)cc1 ZINC000574856454 823844798 /nfs/dbraw/zinc/84/47/98/823844798.db2.gz CWEGBYCQTHTJDM-LJQANCHMSA-N 1 0 395.551 4.340 20 0 GIADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2ccc3oc(N(C)C)nc3c2)C1 ZINC000165387389 823847095 /nfs/dbraw/zinc/84/70/95/823847095.db2.gz QFTYBBZDFIRGQK-IRXDYDNUSA-N 1 0 399.539 4.012 20 0 GIADRO C[C@H](NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)c1noc(Cc2ccccc2)n1 ZINC000165397536 823847723 /nfs/dbraw/zinc/84/77/23/823847723.db2.gz ZDRIXHFTEILASV-LQWHRVPQSA-N 1 0 382.552 4.354 20 0 GIADRO CCOc1ccc(NC(=O)NCC(C)(C)[NH+]2CCCCC2)c(C(F)(F)F)c1 ZINC000064564601 823847818 /nfs/dbraw/zinc/84/78/18/823847818.db2.gz BTSJHUJTCRVTOD-UHFFFAOYSA-N 1 0 387.446 4.490 20 0 GIADRO COc1cccc(OC)c1Oc1ccc(C[NH2+][C@@H](C)c2cnc(C)nc2C)cn1 ZINC000165421340 823848178 /nfs/dbraw/zinc/84/81/78/823848178.db2.gz QCIONDDMZDTLTD-AWEZNQCLSA-N 1 0 394.475 4.149 20 0 GIADRO CC(C)(C)c1nc(CCNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000165437283 823848894 /nfs/dbraw/zinc/84/88/94/823848894.db2.gz YEMLTPALAUIXBO-UHFFFAOYSA-N 1 0 399.604 4.402 20 0 GIADRO COc1cccc(OC)c1Oc1ccc(C[NH2+][C@H](C)c2cncc(F)c2)cn1 ZINC000165435246 823848908 /nfs/dbraw/zinc/84/89/08/823848908.db2.gz RFBIVSKEQGLMKX-CQSZACIVSA-N 1 0 383.423 4.276 20 0 GIADRO Cc1c(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cccc1-c1ccccn1 ZINC000462160504 823849199 /nfs/dbraw/zinc/84/91/99/823849199.db2.gz UYBOWMGCAZEVEL-UUOWRZLLSA-N 1 0 385.511 4.307 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cccc(-c2cscn2)c1 ZINC000462159763 823849290 /nfs/dbraw/zinc/84/92/90/823849290.db2.gz SHOAXJVAVHNOKR-UZLBHIALSA-N 1 0 377.513 4.060 20 0 GIADRO O=C(N[C@H]1CC[C@H](Nc2ccccn2)CC1)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000574885308 823851370 /nfs/dbraw/zinc/85/13/70/823851370.db2.gz NSNMYYYVKJMIQJ-OEEHMVQOSA-N 1 0 375.516 4.215 20 0 GIADRO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CCNC(=O)c1ccccc1Cl ZINC000165513679 823851691 /nfs/dbraw/zinc/85/16/91/823851691.db2.gz OMQZYFDBEWLBNJ-KGLIPLIRSA-N 1 0 387.936 4.461 20 0 GIADRO C[C@@H]([NH2+]CCNC(=O)c1ccccc1Cl)[C@H](C)c1nc2ccccc2s1 ZINC000165513556 823851991 /nfs/dbraw/zinc/85/19/91/823851991.db2.gz OMQZYFDBEWLBNJ-UONOGXRCSA-N 1 0 387.936 4.461 20 0 GIADRO C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)C(=O)Nc1c(F)cccc1F ZINC000192076295 823852412 /nfs/dbraw/zinc/85/24/12/823852412.db2.gz UNFPCXDFZDKIBY-MENVHETRSA-N 1 0 398.812 4.204 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(OCCOc2ccccc2)nc1)c1ccnc(Cl)c1 ZINC000165537593 823852774 /nfs/dbraw/zinc/85/27/74/823852774.db2.gz UHRWDKUTWJEBGV-MRXNPFEDSA-N 1 0 383.879 4.439 20 0 GIADRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)Nc1nc2ccccc2s1 ZINC000064624009 823853919 /nfs/dbraw/zinc/85/39/19/823853919.db2.gz ZZUMHQQTVBNTOP-CQSZACIVSA-N 1 0 386.546 4.392 20 0 GIADRO C[C@H](Cc1cn(C)c2ccc(F)cc12)NC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000413875380 823854302 /nfs/dbraw/zinc/85/43/02/823854302.db2.gz SAOKZVJQMSICJU-OAHLLOKOSA-N 1 0 382.483 4.132 20 0 GIADRO COc1ccc(C(=O)N2C[C@H]3CCC[N@@H+]3Cc3ccccc32)cc1-c1ccccn1 ZINC000165615549 823855173 /nfs/dbraw/zinc/85/51/73/823855173.db2.gz NAUUEERNSFOREM-HXUWFJFHSA-N 1 0 399.494 4.382 20 0 GIADRO CC(=O)Nc1ccc(CC[NH2+]C2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000165613665 823855525 /nfs/dbraw/zinc/85/55/25/823855525.db2.gz SPKVOLMGUNTPAI-UHFFFAOYSA-N 1 0 385.939 4.095 20 0 GIADRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)N1CCC[C@H]1Cc1ccccc1 ZINC000064644071 823856621 /nfs/dbraw/zinc/85/66/21/823856621.db2.gz YKKICRKONRWSOH-RTWAWAEBSA-N 1 0 397.588 4.377 20 0 GIADRO Cc1csc(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1Br ZINC000192090426 823856895 /nfs/dbraw/zinc/85/68/95/823856895.db2.gz MVHBGNCVKZILNE-CHWSQXEVSA-N 1 0 385.371 4.202 20 0 GIADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cc(-c2ccccc2C(F)(F)F)on1 ZINC000462181445 823857239 /nfs/dbraw/zinc/85/72/39/823857239.db2.gz PZLFHHXKQIOOID-CQSZACIVSA-N 1 0 395.425 4.307 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)c1cnn(C(C)C)c1)c1ccccc1OCC(=O)N1CCCC1 ZINC000165662710 823857388 /nfs/dbraw/zinc/85/73/88/823857388.db2.gz FRCDUTKIIJJBRM-RXVVDRJESA-N 1 0 398.551 4.267 20 0 GIADRO Cc1ccc(NC(=O)C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c(C)c1 ZINC000192092200 823857845 /nfs/dbraw/zinc/85/78/45/823857845.db2.gz ZSJAITCONAXHRT-QUCCMNQESA-N 1 0 376.859 4.154 20 0 GIADRO CSc1nnc(CCC[NH2+][C@@H]2CCCOc3ccc(C)cc32)n1CC(C)C ZINC000165676238 823858529 /nfs/dbraw/zinc/85/85/29/823858529.db2.gz FVMZOOWEKRCUJB-GOSISDBHSA-N 1 0 388.581 4.401 20 0 GIADRO CCOC(=O)[C@]1(C(C)C)CC[N@@H+]([C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)C1 ZINC000574910533 823859722 /nfs/dbraw/zinc/85/97/22/823859722.db2.gz PCINQRCURIPKNS-VBKZILBWSA-N 1 0 391.899 4.362 20 0 GIADRO Cc1cc(C)n(-c2ccc(CC[NH2+]CCC(=O)Nc3cccc(F)c3C)cc2)n1 ZINC000574911778 823859754 /nfs/dbraw/zinc/85/97/54/823859754.db2.gz DPGHGWYRQWCOHX-UHFFFAOYSA-N 1 0 394.494 4.098 20 0 GIADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C[C@H](C)c2ccc(F)c(Br)c2)C1 ZINC000462186138 823860132 /nfs/dbraw/zinc/86/01/32/823860132.db2.gz FRJBITZBKZFBDR-LSDHHAIUSA-N 1 0 399.348 4.176 20 0 GIADRO COc1ccc([C@H](CO)[N@H+](C)Cc2c(C)nn(Cc3ccc(C)cc3)c2C)cc1 ZINC000126410857 823860069 /nfs/dbraw/zinc/86/00/69/823860069.db2.gz IWMZYYYCMJGVBY-DEOSSOPVSA-N 1 0 393.531 4.031 20 0 GIADRO C[C@H]([NH2+]C1CCN(Cc2ccccc2F)CC1)c1cccc(N2CCOC2=O)c1 ZINC000165714597 823860528 /nfs/dbraw/zinc/86/05/28/823860528.db2.gz RTBAETRDDGLKBI-KRWDZBQOSA-N 1 0 397.494 4.098 20 0 GIADRO C[C@@H](C(=O)Nc1ccc(OCC[NH+](C)C)cc1F)c1cn(C)c2ccccc12 ZINC000413895618 823861778 /nfs/dbraw/zinc/86/17/78/823861778.db2.gz ARDDZYLQCXOEBJ-OAHLLOKOSA-N 1 0 383.467 4.000 20 0 GIADRO COCCC[C@H]([NH2+]C[C@H]1CSCCS1)c1ccc(Br)cc1 ZINC000165741464 823861923 /nfs/dbraw/zinc/86/19/23/823861923.db2.gz CTSYEUJWSRYQHG-HOTGVXAUSA-N 1 0 390.412 4.355 20 0 GIADRO CCc1oc(C[N@@H+]2CCC[C@H](c3nc4ccc(F)cc4o3)C2)cc1C(=O)OC ZINC000574929530 823862409 /nfs/dbraw/zinc/86/24/09/823862409.db2.gz HSDQKVPXTUGRQM-ZDUSSCGKSA-N 1 0 386.423 4.289 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)c2cc(Cl)sc2Cl)c(F)c1 ZINC000413901185 823862678 /nfs/dbraw/zinc/86/26/78/823862678.db2.gz MHBVEYIULIQDOA-UHFFFAOYSA-N 1 0 377.268 4.387 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(CCC(F)(F)F)cc1 ZINC000462193095 823863069 /nfs/dbraw/zinc/86/30/69/823863069.db2.gz VNFPECWCSBKNOC-UZLBHIALSA-N 1 0 390.449 4.432 20 0 GIADRO Cc1c(C(=O)Nc2ccc(OCC[NH+](C)C)cc2F)sc2nccc(C)c12 ZINC000413902302 823863245 /nfs/dbraw/zinc/86/32/45/823863245.db2.gz OPUWWADEZJMDSJ-UHFFFAOYSA-N 1 0 387.480 4.245 20 0 GIADRO Cc1cc(C(=O)Nc2ccc(OCC[NH+](C)C)cc2F)nn1C1CCCCC1 ZINC000413903190 823863566 /nfs/dbraw/zinc/86/35/66/823863566.db2.gz QMQOHRAGHUSPPI-UHFFFAOYSA-N 1 0 388.487 4.029 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)c(F)c1 ZINC000413906829 823863924 /nfs/dbraw/zinc/86/39/24/823863924.db2.gz ZMTNMSTVBSLFIU-HZPDHXFCSA-N 1 0 376.859 4.162 20 0 GIADRO C[C@@H](CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(F)c(Br)c1 ZINC000462195975 823864655 /nfs/dbraw/zinc/86/46/55/823864655.db2.gz NQCNPJQMGRNNOX-WWTUQBGBSA-N 1 0 397.332 4.213 20 0 GIADRO CC(=O)N(c1nc(CN(C)CC(C)(C)O)cs1)c1c(C)cc(C)cc1Cl ZINC000165890671 823865342 /nfs/dbraw/zinc/86/53/42/823865342.db2.gz UJVHTOLEOHYHRZ-UHFFFAOYSA-N 1 0 395.956 4.301 20 0 GIADRO CC[C@@H](CNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)CC(F)(F)F ZINC000413921000 823866624 /nfs/dbraw/zinc/86/66/24/823866624.db2.gz USTQLMURKVGVLI-IAGOWNOFSA-N 1 0 377.495 4.263 20 0 GIADRO CC(=O)NCC[C@H]1CCC[N@H+](CC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000574944181 823867457 /nfs/dbraw/zinc/86/74/57/823867457.db2.gz FWONOIZJZHGCIO-GOSISDBHSA-N 1 0 386.486 4.335 20 0 GIADRO CN1CC[C@@H]([NH2+]Cc2cn3cc(Cl)ccc3n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000574945418 823867609 /nfs/dbraw/zinc/86/76/09/823867609.db2.gz HWPZAHXDHVQHTM-MJGOQNOKSA-N 1 0 393.293 4.315 20 0 GIADRO Cc1cccc(N2CC[NH+](CCCNC(=O)c3sccc3C(C)C)CC2)c1 ZINC000064712244 823869296 /nfs/dbraw/zinc/86/92/96/823869296.db2.gz JNBYTHCVLYMPDD-UHFFFAOYSA-N 1 0 385.577 4.122 20 0 GIADRO CSCC[C@@H](C)[N@H+](C)CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000126444223 823869413 /nfs/dbraw/zinc/86/94/13/823869413.db2.gz HENBNLDFDCHRSL-ZBFHGGJFSA-N 1 0 391.562 4.092 20 0 GIADRO Cc1ccccc1[C@@H]([C@H](C)Nc1ccc(C(=O)N2CCC(C)CC2)cn1)[NH+](C)C ZINC000574949930 823869439 /nfs/dbraw/zinc/86/94/39/823869439.db2.gz ZDTVOCVTMNVQFJ-WMZHIEFXSA-N 1 0 394.563 4.365 20 0 GIADRO CCOc1c(Cl)cc(C[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)cc1OC ZINC000166138631 823870523 /nfs/dbraw/zinc/87/05/23/823870523.db2.gz CZYVHBONBKLFPT-CANCMXDXSA-N 1 0 381.925 4.336 20 0 GIADRO FC(F)C(F)(F)COCC[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000574956247 823870845 /nfs/dbraw/zinc/87/08/45/823870845.db2.gz ZPBLXEBOTQKADP-UHFFFAOYSA-N 1 0 384.211 4.202 20 0 GIADRO O=C(c1ccccc1F)N1CCC([NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000166154984 823871134 /nfs/dbraw/zinc/87/11/34/823871134.db2.gz VPMMMHFSFHEZMP-WZONZLPQSA-N 1 0 396.506 4.188 20 0 GIADRO C[NH+](C)CCc1ccc(NC(=O)[C@H]2C[C@H]2c2ccccc2OC(F)(F)F)cc1 ZINC000126451254 823871103 /nfs/dbraw/zinc/87/11/03/823871103.db2.gz CQYABUMREPBLSR-ROUUACIJSA-N 1 0 392.421 4.432 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)CCc3cc(F)ccc3F)cc2)C1 ZINC000064720208 823871185 /nfs/dbraw/zinc/87/11/85/823871185.db2.gz BVONIINTDKPHAR-QGZVFWFLSA-N 1 0 386.486 4.446 20 0 GIADRO FC(F)(F)COc1cc(C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)ccn1 ZINC000166155741 823871203 /nfs/dbraw/zinc/87/12/03/823871203.db2.gz LTTVKNUKUATSAZ-SJLPKXTDSA-N 1 0 380.410 4.280 20 0 GIADRO Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1ccc(OCC(=O)NC3CC3)cc1)CCC2 ZINC000166209260 823872561 /nfs/dbraw/zinc/87/25/61/823872561.db2.gz OTVXTBOBYVDPBE-UZUQRXQVSA-N 1 0 378.516 4.381 20 0 GIADRO C[C@@H]([NH2+][C@@H](CC(=O)N(C)C)c1ccccc1)c1ccc(Br)cc1 ZINC000574961782 823872688 /nfs/dbraw/zinc/87/26/88/823872688.db2.gz MEYGXJWNDOURTI-KDOFPFPSSA-N 1 0 375.310 4.319 20 0 GIADRO Cc1noc(C)c1CCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000166220693 823872970 /nfs/dbraw/zinc/87/29/70/823872970.db2.gz MHCUALPQQKAYFU-HNNXBMFYSA-N 1 0 390.549 4.291 20 0 GIADRO C[C@@H]1C[C@@H](c2ccccc2)[N@H+](Cc2ccccc2OCC(=O)N2CCCC2)C1 ZINC000574962414 823873511 /nfs/dbraw/zinc/87/35/11/823873511.db2.gz RWTOSSHBOTWPLA-KNQAVFIVSA-N 1 0 378.516 4.271 20 0 GIADRO C[NH+](C)Cc1ccc(NC(=O)c2cnn(C(C)(C)C)c2C(F)(F)F)c(F)c1 ZINC000413944303 823873584 /nfs/dbraw/zinc/87/35/84/823873584.db2.gz ZLIFYUSDVHOEMV-UHFFFAOYSA-N 1 0 386.393 4.110 20 0 GIADRO Cc1c2cc(F)ccc2sc1C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000064731109 823873617 /nfs/dbraw/zinc/87/36/17/823873617.db2.gz VGYZARWNHJQPRX-UHFFFAOYSA-N 1 0 386.492 4.219 20 0 GIADRO CSc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192135548 823873993 /nfs/dbraw/zinc/87/39/93/823873993.db2.gz PNCCJHFGRBFXIH-OEPMTFCVSA-N 1 0 392.471 4.134 20 0 GIADRO Fc1ccc([C@@H]2OCC[C@H]2[NH2+]Cc2ccn(-c3c(F)cccc3F)n2)cc1F ZINC000192138323 823875601 /nfs/dbraw/zinc/87/56/01/823875601.db2.gz OOCMFISEAXMAFT-QUCCMNQESA-N 1 0 391.368 4.049 20 0 GIADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2ccc(Oc3cccnc3)cc2)C1 ZINC000064736357 823875827 /nfs/dbraw/zinc/87/58/27/823875827.db2.gz OHQAIUVDDJZQGW-NSHGMRRFSA-N 1 0 379.504 4.351 20 0 GIADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2ccn(-c3cccc(Cl)c3)n2)C1 ZINC000064736029 823875866 /nfs/dbraw/zinc/87/58/66/823875866.db2.gz LIXDXLBDOIGWOW-FCEWJHQRSA-N 1 0 386.927 4.003 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)CCC(=O)c2ccc3ccccc3c2)CC1 ZINC000064738751 823876818 /nfs/dbraw/zinc/87/68/18/823876818.db2.gz SUAGQLOMGHEGQP-UHFFFAOYSA-N 1 0 380.532 4.382 20 0 GIADRO Cc1ccc(-n2ncc(C(=O)N3CCC(C[N@@H+](C)C(C)C)CC3)c2C(C)C)cc1 ZINC000064739010 823876960 /nfs/dbraw/zinc/87/69/60/823876960.db2.gz NCFGRQNIEKXCBI-UHFFFAOYSA-N 1 0 396.579 4.497 20 0 GIADRO O=C(Nc1ccc2c(c1)C[NH2+]CC2)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000574973058 823877656 /nfs/dbraw/zinc/87/76/56/823877656.db2.gz DTQUAJXFQQOXKB-SFHVURJKSA-N 1 0 378.501 4.311 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1ccc(C(F)F)cc1 ZINC000462219921 823878365 /nfs/dbraw/zinc/87/83/65/823878365.db2.gz BQWSCTGUIKVVMZ-OXQOHEQNSA-N 1 0 387.474 4.334 20 0 GIADRO COc1ccccc1-c1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3cnn(C)c3)C2)cc1 ZINC000166508197 823879120 /nfs/dbraw/zinc/87/91/20/823879120.db2.gz OOEJOIYYPABANH-WIYYLYMNSA-N 1 0 390.531 4.415 20 0 GIADRO Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+][C@H]1CCCN(c2cnn(C)c2)C1 ZINC000166575030 823879526 /nfs/dbraw/zinc/87/95/26/823879526.db2.gz LVZAXMNDOMQRLR-LPHOPBHVSA-N 1 0 395.576 4.095 20 0 GIADRO [NH3+]Cc1ccc(CNC(=O)N2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000574987041 823880371 /nfs/dbraw/zinc/88/03/71/823880371.db2.gz BONFRZWCXDQZBX-GOSISDBHSA-N 1 0 391.437 4.253 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H](C)CC(=O)Nc2cccnc2Cl)cc1 ZINC000166664627 823880388 /nfs/dbraw/zinc/88/03/88/823880388.db2.gz CMAVNFFMHIOZTL-CABCVRRESA-N 1 0 397.910 4.297 20 0 GIADRO O=C(c1ccccc1)N1CCC(C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000166660623 823880720 /nfs/dbraw/zinc/88/07/20/823880720.db2.gz RQTJKQWMLYPYPR-ZJSXRUAMSA-N 1 0 392.543 4.296 20 0 GIADRO COc1ccc([C@H]([NH2+][C@@H]2CCc3nc[nH]c3C2)C(C)C)c(Br)c1 ZINC000574995008 823882123 /nfs/dbraw/zinc/88/21/23/823882123.db2.gz SLUSAWIBGXJZOI-KZULUSFZSA-N 1 0 378.314 4.025 20 0 GIADRO c1cn(CCc2ccccc2)c(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)n1 ZINC000166801846 823883111 /nfs/dbraw/zinc/88/31/11/823883111.db2.gz VOGLQZFFWOLJPQ-JTHBVZDNSA-N 1 0 375.516 4.383 20 0 GIADRO Cc1nccn1-c1ccc(C[NH2+][C@@H](C)c2cccc(OC(F)(F)F)c2)cn1 ZINC000126497281 823884140 /nfs/dbraw/zinc/88/41/40/823884140.db2.gz SCFCHYJOQAQZRJ-ZDUSSCGKSA-N 1 0 376.382 4.325 20 0 GIADRO Cc1ccccc1[C@H](OC[C@@H](O)C[N@@H+]1CCCO[C@@H](C(C)C)C1)c1ccccc1 ZINC000575006491 823885044 /nfs/dbraw/zinc/88/50/44/823885044.db2.gz AJRSSJSPRDDVAA-ICDZXHCJSA-N 1 0 397.559 4.209 20 0 GIADRO CCOCCOc1cc(C)ccc1C[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000167139805 823887145 /nfs/dbraw/zinc/88/71/45/823887145.db2.gz DICOXJLQJDGCIQ-SFHVURJKSA-N 1 0 398.503 4.218 20 0 GIADRO CCOCCOc1cc(C)ccc1C[NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000167139905 823887187 /nfs/dbraw/zinc/88/71/87/823887187.db2.gz DICOXJLQJDGCIQ-GOSISDBHSA-N 1 0 398.503 4.218 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)CCCc2nc3ccccc3s2)C1 ZINC000064800179 823887472 /nfs/dbraw/zinc/88/74/72/823887472.db2.gz IKZNVUSHWUKBTO-CALCHBBNSA-N 1 0 387.593 4.492 20 0 GIADRO Cc1noc(-c2ccccc2)c1NC(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000126511304 823888215 /nfs/dbraw/zinc/88/82/15/823888215.db2.gz BBTIZYBNBTUXKM-UHFFFAOYSA-N 1 0 382.439 4.172 20 0 GIADRO Cc1ccc(C[NH2+][C@@H](C)c2ccc3c(c2)OCCCO3)c(OC[C@@H]2CCOC2)c1 ZINC000167186605 823888325 /nfs/dbraw/zinc/88/83/25/823888325.db2.gz AUGRYXYPAIRAMT-RBUKOAKNSA-N 1 0 397.515 4.422 20 0 GIADRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(-n3ccnc3)cc2)c(OC[C@@H]2CCOC2)c1 ZINC000167200597 823888795 /nfs/dbraw/zinc/88/87/95/823888795.db2.gz QXSPCYLNTQLECJ-VQTJNVASSA-N 1 0 391.515 4.447 20 0 GIADRO Clc1cc(C[NH2+]CCCc2nnc3n2CCCCC3)ccc1Br ZINC000192167038 823889250 /nfs/dbraw/zinc/88/92/50/823889250.db2.gz NYWOSDZHOCIYEQ-UHFFFAOYSA-N 1 0 397.748 4.143 20 0 GIADRO COCCCOc1cc(C)ccc1C[NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000167231607 823889311 /nfs/dbraw/zinc/88/93/11/823889311.db2.gz SKPGRPFWMVKWDG-GOSISDBHSA-N 1 0 398.503 4.218 20 0 GIADRO CSc1ccc([C@@H](CNC(=O)Cc2cccc(Cl)c2F)[NH+](C)C)cc1 ZINC000575019838 823890078 /nfs/dbraw/zinc/89/00/78/823890078.db2.gz XHCWYEYFJRLTRW-QGZVFWFLSA-N 1 0 380.916 4.163 20 0 GIADRO C[C@@H](CSC(C)(C)C)[NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1 ZINC000167372085 823891147 /nfs/dbraw/zinc/89/11/47/823891147.db2.gz FALFRYPQROYJFC-INIZCTEOSA-N 1 0 386.565 4.413 20 0 GIADRO Cc1cc([C@@H]([NH2+]C2CCN(C(N)=O)CC2)c2ccccc2Cl)ccc1F ZINC000167393914 823891517 /nfs/dbraw/zinc/89/15/17/823891517.db2.gz QXYMJWAAPGGPKB-LJQANCHMSA-N 1 0 375.875 4.010 20 0 GIADRO Cc1ccc([C@H](NC(=O)NCC2=CC[NH2+]CC2)c2ccc(F)cc2Cl)cc1 ZINC000575025922 823891872 /nfs/dbraw/zinc/89/18/72/823891872.db2.gz CZJZQVAKDZRMFV-FQEVSTJZSA-N 1 0 387.886 4.096 20 0 GIADRO C[C@H](CC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1)Cc1cccc(F)c1 ZINC000126537025 823893384 /nfs/dbraw/zinc/89/33/84/823893384.db2.gz RCZZNPCMSMIOQU-SFHVURJKSA-N 1 0 383.511 4.164 20 0 GIADRO COc1cc(CN2CC[C@H]([NH2+][C@@H](C)c3cnc4ccsc4c3)C2)cc(OC)c1 ZINC000167561378 823893638 /nfs/dbraw/zinc/89/36/38/823893638.db2.gz YNUVNMFZDSIXDF-YJBOKZPZSA-N 1 0 397.544 4.239 20 0 GIADRO Cc1ccc(-n2cc(C[NH2+]Cc3ccnn3C)c(-c3ccc(F)cc3)n2)cc1 ZINC000575030288 823893856 /nfs/dbraw/zinc/89/38/56/823893856.db2.gz QDXASACZKRKWAZ-UHFFFAOYSA-N 1 0 375.451 4.010 20 0 GIADRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(NS(C)(=O)=O)cc2)c(OC(C)C)c1 ZINC000167695076 823894080 /nfs/dbraw/zinc/89/40/80/823894080.db2.gz RJKKNHFGNBIBGW-INIZCTEOSA-N 1 0 376.522 4.005 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2N2CCC(O)CC2)c1 ZINC000167758192 823894550 /nfs/dbraw/zinc/89/45/50/823894550.db2.gz LNJFCGQXSPISRS-HZPDHXFCSA-N 1 0 399.510 4.157 20 0 GIADRO CC(C)(C)c1ccc(CNc2ccc(CC[NH+]3CCC(C(N)=O)CC3)cc2)s1 ZINC000126545849 823895058 /nfs/dbraw/zinc/89/50/58/823895058.db2.gz HPHCCZYUOVGJTD-UHFFFAOYSA-N 1 0 399.604 4.398 20 0 GIADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cc(F)c(Br)cc1Cl ZINC000575035246 823895598 /nfs/dbraw/zinc/89/55/98/823895598.db2.gz XFUOFDLLWCCMDC-SNVBAGLBSA-N 1 0 379.701 4.092 20 0 GIADRO CC(C)n1ncc2ccc(NC(=O)N[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C)cc21 ZINC000462247966 823896782 /nfs/dbraw/zinc/89/67/82/823896782.db2.gz PXBKVXXRLGJDCQ-DYESRHJHSA-N 1 0 391.519 4.259 20 0 GIADRO C[C@H](CC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2)c1ccc(C(F)(F)F)cc1 ZINC000575039042 823897281 /nfs/dbraw/zinc/89/72/81/823897281.db2.gz NROIEJUDPNYHSJ-MLGOLLRUSA-N 1 0 377.410 4.049 20 0 GIADRO CCNC(=O)c1ccc(C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCCC4)cc1 ZINC000126554406 823897798 /nfs/dbraw/zinc/89/77/98/823897798.db2.gz GHNAYMZKXBKQNC-JOCHJYFZSA-N 1 0 378.516 4.319 20 0 GIADRO NC(=O)C1CC[NH+](CCc2ccc(NCc3csc4ccccc34)cc2)CC1 ZINC000126559206 823898599 /nfs/dbraw/zinc/89/85/99/823898599.db2.gz ZNQBAYBVKKBLKH-UHFFFAOYSA-N 1 0 393.556 4.253 20 0 GIADRO CCCS(=O)(=O)N1CCC([NH2+][C@H]2CCC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000414065823 823899733 /nfs/dbraw/zinc/89/97/33/823899733.db2.gz OYYYDUYMDRDHLF-PXNSSMCTSA-N 1 0 399.000 4.160 20 0 GIADRO COC(=O)c1cnc([C@H](C)[NH2+][C@@H](C)CCc2ccc(Br)cc2)s1 ZINC000414067526 823900401 /nfs/dbraw/zinc/90/04/01/823900401.db2.gz IYMNDMXKTOEHQR-RYUDHWBXSA-N 1 0 397.338 4.364 20 0 GIADRO CS(=O)(=O)c1ccc(OCC[NH2+][C@H]2CC[C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000414067620 823900440 /nfs/dbraw/zinc/90/04/40/823900440.db2.gz ANZTVGCQBGNTPL-AEFFLSMTSA-N 1 0 393.936 4.048 20 0 GIADRO Cc1noc(C)c1[C@H](C)[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000168161802 823900841 /nfs/dbraw/zinc/90/08/41/823900841.db2.gz JOWJBUJCWOZCJF-MNOVXSKESA-N 1 0 380.286 4.122 20 0 GIADRO C[C@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)c1csc(-c2ccccc2)n1 ZINC000414070093 823900940 /nfs/dbraw/zinc/90/09/40/823900940.db2.gz SCGPEHRCNIPDDJ-HNNXBMFYSA-N 1 0 381.501 4.359 20 0 GIADRO COc1cc(Cl)c(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1C ZINC000575066485 823902727 /nfs/dbraw/zinc/90/27/27/823902727.db2.gz UICVJBPRRFGSOU-KDOFPFPSSA-N 1 0 377.916 4.138 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1nnc([C@@H]2CCCS2)n1C1CC1 ZINC000575066826 823903038 /nfs/dbraw/zinc/90/30/38/823903038.db2.gz HIKOIJSCLIUJNM-QUCCMNQESA-N 1 0 397.592 4.139 20 0 GIADRO COc1cc(Cl)c(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1C ZINC000575066486 823903408 /nfs/dbraw/zinc/90/34/08/823903408.db2.gz UICVJBPRRFGSOU-KSSFIOAISA-N 1 0 377.916 4.138 20 0 GIADRO Cc1cccc(OC(F)F)c1NC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000462262600 823904328 /nfs/dbraw/zinc/90/43/28/823904328.db2.gz MEDMBQLMMLRCQY-RDJZCZTQSA-N 1 0 389.446 4.238 20 0 GIADRO C[C@@H]([NH2+]CCOc1c(Cl)cc(Br)cc1Cl)c1ccn(C)n1 ZINC000414094720 823908071 /nfs/dbraw/zinc/90/80/71/823908071.db2.gz GWNVCPNTBNOFJF-SECBINFHSA-N 1 0 393.112 4.219 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1COc2ccccc21 ZINC000169097311 823908283 /nfs/dbraw/zinc/90/82/83/823908283.db2.gz FEQMNPRRPZTMFA-FZMZJTMJSA-N 1 0 377.238 4.012 20 0 GIADRO C[C@@H]([NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1)[C@H]1COc2ccccc21 ZINC000169179774 823909273 /nfs/dbraw/zinc/90/92/73/823909273.db2.gz WHHOLDLVCPYJLF-CXAGYDPISA-N 1 0 380.469 4.193 20 0 GIADRO COc1ccc(NC(=O)C[C@H](C)[NH2+]CC(C)(C)c2cccs2)c(OC)c1 ZINC000169179813 823909446 /nfs/dbraw/zinc/90/94/46/823909446.db2.gz UPLYVXBDMMJXNW-AWEZNQCLSA-N 1 0 376.522 4.050 20 0 GIADRO FC(F)(F)c1ccc([C@H]2C[C@H]([NH2+]C3CCN(c4cnccn4)CC3)C2)cc1 ZINC000575096089 823911130 /nfs/dbraw/zinc/91/11/30/823911130.db2.gz WWJDAXGIBYUZLA-RZDIXWSQSA-N 1 0 376.426 4.000 20 0 GIADRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(F)c(F)c1)c1csc(-c2ccccc2)n1 ZINC000414115589 823913049 /nfs/dbraw/zinc/91/30/49/823913049.db2.gz NEQVZFUQPNZKRC-HIFRSBDPSA-N 1 0 390.455 4.179 20 0 GIADRO Cc1nc(-c2cc([C@@H](C)[NH2+]CCc3nnc4n3CCCCC4)cs2)cs1 ZINC000126626639 823914090 /nfs/dbraw/zinc/91/40/90/823914090.db2.gz BZQBYMDLQHASCH-CYBMUJFWSA-N 1 0 387.578 4.391 20 0 GIADRO C[C@H](C[NH2+][C@H](C)c1ccc(Br)cn1)N1CCc2sccc2C1 ZINC000575107197 823914497 /nfs/dbraw/zinc/91/44/97/823914497.db2.gz MXSDNEUGKBNWMW-CHWSQXEVSA-N 1 0 380.355 4.003 20 0 GIADRO CCCn1ccnc1CCCN(C)C(=O)c1cccc(Oc2ccncc2)c1 ZINC000192248412 823916054 /nfs/dbraw/zinc/91/60/54/823916054.db2.gz HPAHBUISVXPCIR-UHFFFAOYSA-N 1 0 378.476 4.185 20 0 GIADRO C[C@@H]([NH3+])c1ccc(OCC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)cc1 ZINC000575116249 823916211 /nfs/dbraw/zinc/91/62/11/823916211.db2.gz QPZFPFMODFKUNV-CQSZACIVSA-N 1 0 392.421 4.295 20 0 GIADRO CCOC(=O)c1csc(CC[NH2+][C@@H](C)c2csc(-c3ccccc3)n2)n1 ZINC000414132589 823916399 /nfs/dbraw/zinc/91/63/99/823916399.db2.gz MSBOIOJTQAODHD-ZDUSSCGKSA-N 1 0 387.530 4.337 20 0 GIADRO CCCc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1 ZINC000462304208 823917410 /nfs/dbraw/zinc/91/74/10/823917410.db2.gz CZJAECQWCUNTRE-FXAWDEMLSA-N 1 0 392.590 4.062 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)N(Cc1ccco1)Cc1ccccc1O)C1CCCCC1 ZINC000064955535 823918039 /nfs/dbraw/zinc/91/80/39/823918039.db2.gz DHQCITSECCKQLK-OAQYLSRUSA-N 1 0 399.535 4.208 20 0 GIADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000414147511 823919048 /nfs/dbraw/zinc/91/90/48/823919048.db2.gz MMLAZCHHHNYYHZ-OBJOEFQTSA-N 1 0 395.263 4.100 20 0 GIADRO C[C@@H](N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)c1cc2n(n1)CCC2 ZINC000414159239 823920703 /nfs/dbraw/zinc/92/07/03/823920703.db2.gz YFTNGHLUBLYFRL-HFRGRHLUSA-N 1 0 386.543 4.148 20 0 GIADRO C[C@H]([NH2+]CCn1cc(Br)cn1)c1csc(-c2ccccc2)n1 ZINC000414167648 823921634 /nfs/dbraw/zinc/92/16/34/823921634.db2.gz SXDFMVWSPWEZDX-LBPRGKRZSA-N 1 0 377.311 4.120 20 0 GIADRO C[N@H+]1CC=C(CNC(=O)N[C@H](Cc2ccccc2C(F)(F)F)C(C)(C)C)CC1 ZINC000462312813 823921548 /nfs/dbraw/zinc/92/15/48/823921548.db2.gz DZTLUVOLMFPXGD-GOSISDBHSA-N 1 0 397.485 4.224 20 0 GIADRO C[C@H](CC(=O)NCC1CC[NH+](C2CC2)CC1)c1ccc(F)c(Br)c1 ZINC000462313844 823921796 /nfs/dbraw/zinc/92/17/96/823921796.db2.gz JKNJXGRGRDFMFD-CYBMUJFWSA-N 1 0 397.332 4.072 20 0 GIADRO C[N@@H+](Cc1cccc(OC(F)F)c1)C[C@H](O)c1cccc(Br)c1 ZINC000064992356 823921997 /nfs/dbraw/zinc/92/19/97/823921997.db2.gz HMJUXXCMPFFNQS-INIZCTEOSA-N 1 0 386.236 4.216 20 0 GIADRO Cc1cc(CCCC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)c(C)s1 ZINC000126666049 823922401 /nfs/dbraw/zinc/92/24/01/823922401.db2.gz CLGVBSMWUJXXDK-UHFFFAOYSA-N 1 0 385.577 4.458 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)N1CCC(c2ccncc2)CC1)c1ccccc1 ZINC000192267097 823923265 /nfs/dbraw/zinc/92/32/65/823923265.db2.gz AGECDUKSMGTBMF-JOCHJYFZSA-N 1 0 380.536 4.054 20 0 GIADRO CC(C)(C)NS(=O)(=O)c1ccccc1C[NH2+]Cc1cccc2ccccc21 ZINC000065013925 823924134 /nfs/dbraw/zinc/92/41/34/823924134.db2.gz UAMUQLFWADHARN-UHFFFAOYSA-N 1 0 382.529 4.206 20 0 GIADRO C[C@H]1C[C@H](N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)c2nccn21 ZINC000414186235 823924573 /nfs/dbraw/zinc/92/45/73/823924573.db2.gz PJYRXANXZBUTGV-KEIZBESESA-N 1 0 390.506 4.286 20 0 GIADRO COc1ccc(C[C@H]([NH2+]C[C@H]2CNC(=O)C2)c2cc(Cl)ccc2Cl)cc1 ZINC000414188732 823924862 /nfs/dbraw/zinc/92/48/62/823924862.db2.gz DXMFAJQOYRBCGA-LIRRHRJNSA-N 1 0 393.314 4.012 20 0 GIADRO COc1ccc(C[C@@H]([NH2+]C[C@H]2CNC(=O)C2)c2cc(Cl)ccc2Cl)cc1 ZINC000414188726 823925047 /nfs/dbraw/zinc/92/50/47/823925047.db2.gz DXMFAJQOYRBCGA-IFXJQAMLSA-N 1 0 393.314 4.012 20 0 GIADRO CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2Oc2cccnc2)C1 ZINC000170647142 823925373 /nfs/dbraw/zinc/92/53/73/823925373.db2.gz SRJMVSOSVKOAAU-QGZVFWFLSA-N 1 0 383.492 4.221 20 0 GIADRO C[N@H+](CCCc1cc(-c2ccccc2)no1)Cc1cc(F)cc2c1OCOC2 ZINC000170647085 823925554 /nfs/dbraw/zinc/92/55/54/823925554.db2.gz ROLBDISCXHALGF-UHFFFAOYSA-N 1 0 382.435 4.412 20 0 GIADRO CC(C)(C)OC(=O)NC[C@H]1CCN(Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000170647982 823926321 /nfs/dbraw/zinc/92/63/21/823926321.db2.gz HEKHWWPOSWOVJU-CQSZACIVSA-N 1 0 391.899 4.342 20 0 GIADRO COc1cc(N[C@H](C)c2cccc(OCC[NH+](C)C)c2)cc(OC)c1Cl ZINC000414198234 823926567 /nfs/dbraw/zinc/92/65/67/823926567.db2.gz WUBUYVQJRUTEHT-CQSZACIVSA-N 1 0 378.900 4.471 20 0 GIADRO CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000170647742 823926820 /nfs/dbraw/zinc/92/68/20/823926820.db2.gz YSWVCTRHZNLXLV-CQSZACIVSA-N 1 0 391.899 4.342 20 0 GIADRO CC(C)[C@H]([NH2+]C[C@H](CO)Cc1cc(F)cc(Br)c1)c1cccnc1 ZINC000414198904 823927131 /nfs/dbraw/zinc/92/71/31/823927131.db2.gz WQKXDFGRJLLNNV-BEFAXECRSA-N 1 0 395.316 4.121 20 0 GIADRO O=C1C[C@@H](C[NH2+][C@H](c2ccc(Cl)cc2)c2ccc(C(F)(F)F)cc2)CN1 ZINC000414204438 823928196 /nfs/dbraw/zinc/92/81/96/823928196.db2.gz OFTVFSOETIMJNB-XIKOKIGWSA-N 1 0 382.813 4.174 20 0 GIADRO CCc1oc2ccccc2c1/C=C/C(=O)N(C)C1CC[NH+](C2CCOCC2)CC1 ZINC000065038990 823928264 /nfs/dbraw/zinc/92/82/64/823928264.db2.gz RPWSAXJDHSIOTD-CMDGGOBGSA-N 1 0 396.531 4.110 20 0 GIADRO CC1CCN(C(=O)C2CC[NH+](CCOc3cccc4ccccc43)CC2)CC1 ZINC000065041141 823929255 /nfs/dbraw/zinc/92/92/55/823929255.db2.gz VTUVUBYGQOELLP-UHFFFAOYSA-N 1 0 380.532 4.189 20 0 GIADRO CCCOc1ccc(Br)cc1CN1CCC2(CCC[N@@H+]2C)CC1 ZINC000462337792 823930127 /nfs/dbraw/zinc/93/01/27/823930127.db2.gz FCGUDPXGRKETMW-UHFFFAOYSA-N 1 0 381.358 4.298 20 0 GIADRO CNc1ccc(Cl)c(C(=O)N[C@H]2CC[N@H+](C3CC3)[C@H]2c2cccc(OC)c2)c1 ZINC000575175784 823931802 /nfs/dbraw/zinc/93/18/02/823931802.db2.gz RCAQDJXLOZSCPX-SFTDATJTSA-N 1 0 399.922 4.098 20 0 GIADRO COc1cc(N[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c(Cl)c(OC)c1 ZINC000414223148 823932395 /nfs/dbraw/zinc/93/23/95/823932395.db2.gz PIZKYFUJAUWLQD-YOEHRIQHSA-N 1 0 375.900 4.075 20 0 GIADRO CSc1ccccc1OC[C@H](O)C[N@H+](CCc1ncc(C)cc1C)C(C)C ZINC000575177903 823932455 /nfs/dbraw/zinc/93/24/55/823932455.db2.gz DIZZTMCJZVSPGM-LJQANCHMSA-N 1 0 388.577 4.113 20 0 GIADRO O=C(c1cccnc1Sc1ccccc1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000126720402 823935073 /nfs/dbraw/zinc/93/50/73/823935073.db2.gz RWJMMDNJUOUXJQ-DYESRHJHSA-N 1 0 393.556 4.322 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@@H]2CCc3c2cccc3Br)cn1 ZINC000414236610 823936023 /nfs/dbraw/zinc/93/60/23/823936023.db2.gz ALNKHCNQESCYHH-MJXNMMHHSA-N 1 0 390.325 4.020 20 0 GIADRO CC[C@H]([NH2+]C[C@@H]1CCO[C@H]1c1cnn(CC)c1)c1cccc(Br)c1 ZINC000414236988 823936575 /nfs/dbraw/zinc/93/65/75/823936575.db2.gz AQWKXKCSAHJBON-ZYSHUDEJSA-N 1 0 392.341 4.484 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+]C/C(C)=C/c2ccccc2C(F)(F)F)[C@@H]1n1cccn1 ZINC000575199817 823936824 /nfs/dbraw/zinc/93/68/24/823936824.db2.gz HPSKWVROPKLPCI-GIWCPWOWSA-N 1 0 379.426 4.314 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@@H](C)CC(=O)Nc2ccc(C(C)C)cc2)cn1 ZINC000414240990 823937400 /nfs/dbraw/zinc/93/74/00/823937400.db2.gz FLYTVJBBCRYPES-WCAVRKLYSA-N 1 0 398.551 4.111 20 0 GIADRO Nc1c(Cl)cc(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1Cl ZINC000192295838 823937454 /nfs/dbraw/zinc/93/74/54/823937454.db2.gz YTXZXPYALSXVMW-AWEZNQCLSA-N 1 0 383.279 4.127 20 0 GIADRO Nc1c(Cl)cc(NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1Cl ZINC000192296518 823937976 /nfs/dbraw/zinc/93/79/76/823937976.db2.gz GQGUKSJCQIXHGR-UHFFFAOYSA-N 1 0 394.306 4.009 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@@H]2CCc3sc(Br)cc32)cn1 ZINC000414243008 823938296 /nfs/dbraw/zinc/93/82/96/823938296.db2.gz JDDXYENTDBMPLR-FABXCBLPSA-N 1 0 396.354 4.082 20 0 GIADRO COc1cccc(CN(CC[NH+](C)C)C(=O)Nc2cccc(C)c2Cl)c1 ZINC000192297133 823938630 /nfs/dbraw/zinc/93/86/30/823938630.db2.gz PGXHFTLGQIFLJN-UHFFFAOYSA-N 1 0 375.900 4.253 20 0 GIADRO CC[C@@H]([NH2+]CCc1nnc2n1CCCCC2)c1ccc(Br)cc1 ZINC000126739617 823939039 /nfs/dbraw/zinc/93/90/39/823939039.db2.gz DNAOHRMBISTMLM-MRXNPFEDSA-N 1 0 377.330 4.050 20 0 GIADRO OC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000126741573 823939379 /nfs/dbraw/zinc/93/93/79/823939379.db2.gz FNKRQHMZOBAAMA-CBQGHPETSA-N 1 0 377.463 4.166 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)c2ccn(-c3ccccc3Cl)n2)cc1 ZINC000065086903 823939640 /nfs/dbraw/zinc/93/96/40/823939640.db2.gz GALASVXOOIANJF-UHFFFAOYSA-N 1 0 396.922 4.298 20 0 GIADRO COc1cc(Br)ccc1CCC(=O)Nc1ccccc1C[NH+](C)C ZINC000575209669 823939691 /nfs/dbraw/zinc/93/96/91/823939691.db2.gz COVCMRHPCPNFNB-UHFFFAOYSA-N 1 0 391.309 4.091 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@H](C)c2ccc(OC(F)(F)F)cc2)cn1 ZINC000414246809 823939837 /nfs/dbraw/zinc/93/98/37/823939837.db2.gz NPNMAAQIYCACPV-QIIPPGSGSA-N 1 0 383.414 4.230 20 0 GIADRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000192301183 823940059 /nfs/dbraw/zinc/94/00/59/823940059.db2.gz JLSTTXCNPJKYQH-UHFFFAOYSA-N 1 0 399.297 4.310 20 0 GIADRO COc1ccc(C2([NH2+]Cc3cc(OC)c(OCC(F)F)c(OC)c3)CC2)cc1 ZINC000575212008 823940259 /nfs/dbraw/zinc/94/02/59/823940259.db2.gz DQXOGZFHDUUCPU-UHFFFAOYSA-N 1 0 393.430 4.135 20 0 GIADRO O[C@@H]1CCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000575212571 823940277 /nfs/dbraw/zinc/94/02/77/823940277.db2.gz FDDVARRMCIAZHH-FVQBIDKESA-N 1 0 382.291 4.169 20 0 GIADRO Nc1c(Cl)cc(NC(=O)NC2CC[NH+](CC3CCCC3)CC2)cc1Cl ZINC000192305596 823941413 /nfs/dbraw/zinc/94/14/13/823941413.db2.gz GQRQNXFWPVFDAP-UHFFFAOYSA-N 1 0 385.339 4.352 20 0 GIADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)CCCOCc2ccccc2)CC1 ZINC000065099891 823942031 /nfs/dbraw/zinc/94/20/31/823942031.db2.gz DFDZYLYZDITNHV-UHFFFAOYSA-N 1 0 380.532 4.026 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)N[C@@H](c2ccccc2)[C@@H]2CCCO2)CC1 ZINC000170693929 823942086 /nfs/dbraw/zinc/94/20/86/823942086.db2.gz HDHKHDRVPRNZNP-VXKWHMMOSA-N 1 0 387.568 4.060 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)N[C@H](c2ccccc2)[C@@H]2CCCO2)CC1 ZINC000170693931 823942359 /nfs/dbraw/zinc/94/23/59/823942359.db2.gz HDHKHDRVPRNZNP-FCHUYYIVSA-N 1 0 387.568 4.060 20 0 GIADRO CC[C@H]([NH2+]CCc1nnc2n1CCCCC2)c1ccccc1Br ZINC000126757759 823943228 /nfs/dbraw/zinc/94/32/28/823943228.db2.gz SZBQWANHVKMZSS-INIZCTEOSA-N 1 0 377.330 4.050 20 0 GIADRO C[C@H](C[NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1)CC(F)(F)F ZINC000414257051 823943432 /nfs/dbraw/zinc/94/34/32/823943432.db2.gz DEFCAXVESRKXSD-GJZGRUSLSA-N 1 0 392.487 4.100 20 0 GIADRO Cc1noc(-c2ccccc2)c1NC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000126763986 823945211 /nfs/dbraw/zinc/94/52/11/823945211.db2.gz ZIHYWRFFMWCIKK-GOSISDBHSA-N 1 0 382.439 4.214 20 0 GIADRO CC(C)Oc1ccc([C@H]2CCC[C@@H]2[NH2+]Cc2ccccc2S(C)(=O)=O)cc1 ZINC000414267175 823946761 /nfs/dbraw/zinc/94/67/61/823946761.db2.gz WJCNCSPKENIBGM-RTWAWAEBSA-N 1 0 387.545 4.303 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)CC[C@@H]1CCCO1)c1ccc(C(F)(F)F)cc1 ZINC000065121713 823947490 /nfs/dbraw/zinc/94/74/90/823947490.db2.gz VSSZXCNCHLIIKY-ROUUACIJSA-N 1 0 386.458 4.164 20 0 GIADRO CCc1noc(C)c1C(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)[NH+](CC)CC ZINC000065121855 823947684 /nfs/dbraw/zinc/94/76/84/823947684.db2.gz YBRIAIISXBIFBT-KRWDZBQOSA-N 1 0 397.441 4.377 20 0 GIADRO CC(C)C[NH+]1CCC(NC(=O)c2cnc(-c3ccccc3Cl)s2)CC1 ZINC000065126597 823948947 /nfs/dbraw/zinc/94/89/47/823948947.db2.gz FYGSFLUQHQAAKN-UHFFFAOYSA-N 1 0 377.941 4.314 20 0 GIADRO CN(C(=O)[C@H]1CCCC[C@@H]1C(F)(F)F)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000126780732 823949471 /nfs/dbraw/zinc/94/94/71/823949471.db2.gz JTFCJLWPMNOBKZ-OALUTQOASA-N 1 0 398.469 4.493 20 0 GIADRO CC(C)c1c(NC(=O)NC[C@H](c2cccs2)[NH+](C)C)cnn1-c1ccccc1 ZINC000192335560 823950597 /nfs/dbraw/zinc/95/05/97/823950597.db2.gz IMMMDVDTULPSJK-GOSISDBHSA-N 1 0 397.548 4.482 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)COc2cccc(C(F)(F)F)c2)C1 ZINC000065140822 823950551 /nfs/dbraw/zinc/95/05/51/823950551.db2.gz SDLOFKCSVVYJPQ-QAPCUYQASA-N 1 0 392.421 4.036 20 0 GIADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Nc2cnn(-c3ccccc3)c2C(C)C)C1 ZINC000192338166 823951535 /nfs/dbraw/zinc/95/15/35/823951535.db2.gz MPSBWXNOQKZQJW-SFHVURJKSA-N 1 0 383.540 4.095 20 0 GIADRO COc1ccccc1-c1nc(C2CC[NH+](CCOc3cccc(C)c3)CC2)no1 ZINC000192338109 823951683 /nfs/dbraw/zinc/95/16/83/823951683.db2.gz RDWTZKBXRLBZFJ-UHFFFAOYSA-N 1 0 393.487 4.312 20 0 GIADRO Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC000414293620 823953076 /nfs/dbraw/zinc/95/30/76/823953076.db2.gz DDPBCUFUYXZCPV-FGZHOGPDSA-N 1 0 383.442 4.469 20 0 GIADRO Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC000414293626 823953261 /nfs/dbraw/zinc/95/32/61/823953261.db2.gz DDPBCUFUYXZCPV-YADHBBJMSA-N 1 0 383.442 4.469 20 0 GIADRO CC[NH+](CC)CCCNC(=O)c1ccc(NCc2ccoc2C)cc1Cl ZINC000414303552 823954211 /nfs/dbraw/zinc/95/42/11/823954211.db2.gz LQUYQQQFQQRZDC-UHFFFAOYSA-N 1 0 377.916 4.315 20 0 GIADRO Cc1nn(-c2cccc(F)c2)cc1C[NH2+]Cc1ccc(N2CCC(C)CC2)nc1 ZINC000414301106 823954297 /nfs/dbraw/zinc/95/42/97/823954297.db2.gz BBURASBPACXHBB-UHFFFAOYSA-N 1 0 393.510 4.241 20 0 GIADRO O=C(CCc1cncc2ccccc21)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000462387822 823954869 /nfs/dbraw/zinc/95/48/69/823954869.db2.gz MDPGAFHZZYDSSB-OAQYLSRUSA-N 1 0 377.488 4.104 20 0 GIADRO Cc1csc(C(=O)Nc2c(C)cnn2[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000575324755 823955666 /nfs/dbraw/zinc/95/56/66/823955666.db2.gz XKMIPVQFRXDKML-SFHVURJKSA-N 1 0 380.517 4.261 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCCc2c(O)cccc21)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000192351534 823956035 /nfs/dbraw/zinc/95/60/35/823956035.db2.gz TUUTVIWMBXXRQR-RHSMWYFYSA-N 1 0 395.528 4.016 20 0 GIADRO CSc1cnn(-c2ccccc2)c1NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000126812595 823957841 /nfs/dbraw/zinc/95/78/41/823957841.db2.gz FQMZUUGKPWSJKZ-UHFFFAOYSA-N 1 0 399.564 4.123 20 0 GIADRO O=C(c1ccc2c[nH+]cn2c1)N1CCC(c2ccc(Br)cc2)CC1 ZINC000575337230 823958268 /nfs/dbraw/zinc/95/82/68/823958268.db2.gz GLJMXQZMMPCHSX-UHFFFAOYSA-N 1 0 384.277 4.117 20 0 GIADRO CCc1ccc([C@H](C[NH2+]Cc2c[nH]nc2-c2cccnc2)N(CC)CC)cc1 ZINC000575341791 823958708 /nfs/dbraw/zinc/95/87/08/823958708.db2.gz FJINQNSFASNBJW-QFIPXVFZSA-N 1 0 377.536 4.207 20 0 GIADRO c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H](NCc4nnc(C5CC5)s4)[C@@H]3C2)cc1 ZINC000414327553 823958812 /nfs/dbraw/zinc/95/88/12/823958812.db2.gz OSSDLRWMXRQLCF-XUVXKRRUSA-N 1 0 382.577 4.196 20 0 GIADRO O=C1[C@@H]([NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)CCN1c1ccc(F)cc1 ZINC000414329201 823959341 /nfs/dbraw/zinc/95/93/41/823959341.db2.gz ZPCJQUIYQYPDAL-ROUUACIJSA-N 1 0 393.384 4.012 20 0 GIADRO CCc1ncc(C[NH2+][C@@H]2c3cc(Br)ccc3SC[C@H]2C)cn1 ZINC000414329761 823959707 /nfs/dbraw/zinc/95/97/07/823959707.db2.gz INGFWRBWXDSTRO-DIFFPNOSSA-N 1 0 378.339 4.374 20 0 GIADRO CC[C@@H](C)[C@@H]([NH2+]Cc1ccc(COC)o1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000126824574 823959858 /nfs/dbraw/zinc/95/98/58/823959858.db2.gz LAFGZIQYCBQNEX-VGOFRKELSA-N 1 0 399.535 4.169 20 0 GIADRO CC(C)Oc1ccc([C@@H](CNC(=O)[C@@H]2SCCc3ccccc32)[NH+](C)C)cc1 ZINC000575352444 823960360 /nfs/dbraw/zinc/96/03/60/823960360.db2.gz POIHRLJARGYYTL-FGZHOGPDSA-N 1 0 398.572 4.223 20 0 GIADRO C[C@]1(C[NH3+])CCN(C(=O)N[C@@H](c2ccccc2)[C@H]2CCCc3ccccc32)C1 ZINC000575354503 823960760 /nfs/dbraw/zinc/96/07/60/823960760.db2.gz WJSIIXQDQIUORK-WPFOTENUSA-N 1 0 377.532 4.228 20 0 GIADRO C[C@]1(C[NH3+])CCN(C(=O)N[C@H](c2ccccc2)[C@@H]2CCCc3ccccc32)C1 ZINC000575354501 823960819 /nfs/dbraw/zinc/96/08/19/823960819.db2.gz WJSIIXQDQIUORK-CQOQZXRMSA-N 1 0 377.532 4.228 20 0 GIADRO C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CC(C)(C)c1cccnc1 ZINC000414337506 823960920 /nfs/dbraw/zinc/96/09/20/823960920.db2.gz QMPJQZUTYOIJPH-AWEZNQCLSA-N 1 0 395.425 4.265 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)N(C)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000575354826 823961020 /nfs/dbraw/zinc/96/10/20/823961020.db2.gz HZNXRDJVXXDORJ-IRXDYDNUSA-N 1 0 386.565 4.129 20 0 GIADRO Nc1c(Cl)cc(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1Cl ZINC000126829251 823961234 /nfs/dbraw/zinc/96/12/34/823961234.db2.gz OETLWASUJSYRAD-GFCCVEGCSA-N 1 0 398.359 4.279 20 0 GIADRO COc1ccc([C@@H](Cc2ccncc2)[NH2+][C@H]2CCN(c3ccc(F)cc3)C2)cc1 ZINC000414341647 823961281 /nfs/dbraw/zinc/96/12/81/823961281.db2.gz IDIABOCNGDWVLQ-XUZZJYLKSA-N 1 0 391.490 4.382 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)CCc1ccc(Cl)s1 ZINC000126828734 823961262 /nfs/dbraw/zinc/96/12/62/823961262.db2.gz PKWLUIDPMFNVCH-UHFFFAOYSA-N 1 0 377.941 4.104 20 0 GIADRO C[C@H]([NH2+]C[C@H]1CCCN(Cc2cccs2)C1)c1cccc(N2CCOC2=O)c1 ZINC000126830667 823961459 /nfs/dbraw/zinc/96/14/59/823961459.db2.gz KVHUEBYFLGQLOI-ZWKOTPCHSA-N 1 0 399.560 4.268 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000126829712 823961572 /nfs/dbraw/zinc/96/15/72/823961572.db2.gz GWSZMDQSVUJHHQ-ZWKOTPCHSA-N 1 0 383.458 4.125 20 0 GIADRO C[C@H]([NH2+]CC(C)(C)c1cccnc1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000414344168 823961542 /nfs/dbraw/zinc/96/15/42/823961542.db2.gz YZZFTEXIVNWYQW-KRWDZBQOSA-N 1 0 386.561 4.426 20 0 GIADRO CC(C)COc1cccc(C(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000126833327 823962051 /nfs/dbraw/zinc/96/20/51/823962051.db2.gz PGFVNKUSGOYCAD-UHFFFAOYSA-N 1 0 381.520 4.105 20 0 GIADRO CC[C@@H](c1ccncc1)N(C)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000126835207 823962698 /nfs/dbraw/zinc/96/26/98/823962698.db2.gz MCJKVPKKXADGEV-AVRDEDQJSA-N 1 0 380.536 4.400 20 0 GIADRO CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CCN(c3ccc(F)cc3)C2)cc1 ZINC000414351402 823962808 /nfs/dbraw/zinc/96/28/08/823962808.db2.gz RPERAAMHYCUPIZ-JXFKEZNVSA-N 1 0 384.499 4.285 20 0 GIADRO COCCCOc1cccc(C[NH2+]Cc2cn(-c3cccc(F)c3)nc2C)c1 ZINC000414361091 823965253 /nfs/dbraw/zinc/96/52/53/823965253.db2.gz PIAVNWOFXANRNL-UHFFFAOYSA-N 1 0 383.467 4.025 20 0 GIADRO O=C(c1ccccc1)c1ccccc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000126854890 823967310 /nfs/dbraw/zinc/96/73/10/823967310.db2.gz ONGRQEPYCVUPIG-WMZHIEFXSA-N 1 0 388.511 4.007 20 0 GIADRO Cc1ccc2cccc(C(=O)N(C)c3ccc(OCC[NH+]4CCCC4)cc3)c2n1 ZINC000126856604 823967693 /nfs/dbraw/zinc/96/76/93/823967693.db2.gz OITNOCZBGSUWSA-UHFFFAOYSA-N 1 0 389.499 4.294 20 0 GIADRO Cc1cc(C(=O)NC2CC[NH+](Cc3cc(Cl)cc4cccnc43)CC2)c(C)o1 ZINC000170776150 823968071 /nfs/dbraw/zinc/96/80/71/823968071.db2.gz UPSXOESILXIGAP-UHFFFAOYSA-N 1 0 397.906 4.492 20 0 GIADRO Cc1cc(C(=O)NC2CC[NH+](Cc3ccc(Cl)c4cccnc34)CC2)c(C)o1 ZINC000170775714 823968171 /nfs/dbraw/zinc/96/81/71/823968171.db2.gz CNUJFADJJREKPO-UHFFFAOYSA-N 1 0 397.906 4.492 20 0 GIADRO C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)N1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000575427668 823969574 /nfs/dbraw/zinc/96/95/74/823969574.db2.gz XSOPYPXUEAOFRB-CVEARBPZSA-N 1 0 389.927 4.241 20 0 GIADRO C[C@@H](NC(=O)C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1)c1ccc(F)cc1 ZINC000126868909 823970634 /nfs/dbraw/zinc/97/06/34/823970634.db2.gz NCDXGDHNDRLDSF-WBVHZDCISA-N 1 0 381.451 4.024 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)N[C@@H]2CCc3c2cccc3Br)c1 ZINC000170793854 823972741 /nfs/dbraw/zinc/97/27/41/823972741.db2.gz RHPJTOKEVMJOIC-GOSISDBHSA-N 1 0 388.309 4.320 20 0 GIADRO O=C(c1ccc(COc2ccccc2)cc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000170812362 823978046 /nfs/dbraw/zinc/97/80/46/823978046.db2.gz FJMHSWGNNPSSMB-UHFFFAOYSA-N 1 0 378.516 4.214 20 0 GIADRO COc1ccccc1[C@@H](C)CC(=O)N(C)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000126911274 823978663 /nfs/dbraw/zinc/97/86/63/823978663.db2.gz CZPRHNSWSUVYBW-IBGZPJMESA-N 1 0 396.531 4.326 20 0 GIADRO O=C(CC[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1)Nc1cc(Cl)ccc1Cl ZINC000575621919 823979332 /nfs/dbraw/zinc/97/93/32/823979332.db2.gz ARUONGYMHBIHFX-WMZOPIPTSA-N 1 0 383.319 4.356 20 0 GIADRO CCOc1ccc([C@@H](C)NC(=O)CCC[NH2+]CC2Cc3ccccc3C2)cc1 ZINC000575632129 823980345 /nfs/dbraw/zinc/98/03/45/823980345.db2.gz NHERFTXQDVAWEW-GOSISDBHSA-N 1 0 380.532 4.047 20 0 GIADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N3CCC(F)(F)[C@H](C)C3)cc2)C1 ZINC000575633440 823980929 /nfs/dbraw/zinc/98/09/29/823980929.db2.gz LXCSTGHHCVRQPE-KZNAEPCWSA-N 1 0 393.522 4.351 20 0 GIADRO O=C(CCc1ccc(OC(F)(F)F)cc1)N1CCC([NH2+]C2CCCC2)CC1 ZINC000126924336 823981875 /nfs/dbraw/zinc/98/18/75/823981875.db2.gz HQSMZMRMVQISRR-UHFFFAOYSA-N 1 0 384.442 4.041 20 0 GIADRO Cc1cc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc(C)c1Br ZINC000192420170 823982326 /nfs/dbraw/zinc/98/23/26/823982326.db2.gz JJUPAKPHHNXVNE-GDBMZVCRSA-N 1 0 380.330 4.014 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(C)c(Br)c(C)c2)C1 ZINC000192420761 823983401 /nfs/dbraw/zinc/98/34/01/823983401.db2.gz GCHFTPXQPAPYGU-HNNXBMFYSA-N 1 0 382.346 4.262 20 0 GIADRO CC(C)(C)[C@@H](NC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)C(F)(F)F ZINC000575736621 823983527 /nfs/dbraw/zinc/98/35/27/823983527.db2.gz ZEXBPVXMAUIPIH-YLJYHZDGSA-N 1 0 397.485 4.271 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)Nc2cc(C(F)(F)F)ccn2)CC1 ZINC000192422288 823984945 /nfs/dbraw/zinc/98/49/45/823984945.db2.gz SVNULGYWDCLUSL-CQSZACIVSA-N 1 0 392.425 4.448 20 0 GIADRO O=C(c1ccc(Cl)cc1)c1ccccc1C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000126939530 823985742 /nfs/dbraw/zinc/98/57/42/823985742.db2.gz LZJZRGFIYFIDBZ-QGZVFWFLSA-N 1 0 396.918 4.129 20 0 GIADRO COc1cccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c1 ZINC000575751128 823985846 /nfs/dbraw/zinc/98/58/46/823985846.db2.gz KNABFTWOEXATJL-AFXVXQJMSA-N 1 0 394.515 4.000 20 0 GIADRO CS[C@@H](C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1)c1ccccc1 ZINC000575754040 823986636 /nfs/dbraw/zinc/98/66/36/823986636.db2.gz GRSUJPOEEAAKBO-YLJYHZDGSA-N 1 0 388.602 4.441 20 0 GIADRO Cc1cc(C[NH2+]C[C@@H](c2ccc(Cl)cc2)N(C)CCC(F)(F)F)nn1C ZINC000414445692 823986829 /nfs/dbraw/zinc/98/68/29/823986829.db2.gz HWDFNARMSVKKEI-KRWDZBQOSA-N 1 0 388.865 4.097 20 0 GIADRO Cc1cc(C[N@@H+]2CCC[C@H](CNC(=O)c3ccco3)C2)ccc1C(F)(F)F ZINC000414457854 823988588 /nfs/dbraw/zinc/98/85/88/823988588.db2.gz VPDGWYZPHLVQKI-MRXNPFEDSA-N 1 0 380.410 4.249 20 0 GIADRO Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@H](c1cccs1)C1(CO)CCC1 ZINC000414462711 823989630 /nfs/dbraw/zinc/98/96/30/823989630.db2.gz QOZSYKVMTLFGJG-HXUWFJFHSA-N 1 0 385.508 4.375 20 0 GIADRO COc1cccc([C@@H](C)C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)c1 ZINC000170849687 823990030 /nfs/dbraw/zinc/99/00/30/823990030.db2.gz VRWKYDPDKXGWOT-MRXNPFEDSA-N 1 0 399.510 4.107 20 0 GIADRO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH+]1CCC(c2ccncn2)CC1 ZINC000414465856 823990191 /nfs/dbraw/zinc/99/01/91/823990191.db2.gz AAJBDYLBEVZZJN-UHFFFAOYSA-N 1 0 375.520 4.026 20 0 GIADRO Cc1nn(-c2cccc(F)c2)cc1C[N@@H+](C)C1CCN(CCC(F)(F)F)CC1 ZINC000414464706 823990216 /nfs/dbraw/zinc/99/02/16/823990216.db2.gz UUAVKIUIBRPYNP-UHFFFAOYSA-N 1 0 398.448 4.168 20 0 GIADRO FC(F)(F)c1ccn(-c2ccc(C[NH+]3CCC(c4ccncn4)CC3)cc2)n1 ZINC000414469580 823990733 /nfs/dbraw/zinc/99/07/33/823990733.db2.gz JKAPXMPRLVEKKE-UHFFFAOYSA-N 1 0 387.409 4.061 20 0 GIADRO COc1ccc(C[NH+]2CCC(c3ccncn3)CC2)cc1OCc1ccccc1 ZINC000414470154 823990746 /nfs/dbraw/zinc/99/07/46/823990746.db2.gz KUWATBYNROOJLS-UHFFFAOYSA-N 1 0 389.499 4.444 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)[C@H]1C[C@H]1c1ccccc1Cl ZINC000126968471 823991390 /nfs/dbraw/zinc/99/13/90/823991390.db2.gz POFRFVJWYVGVJD-SFTDATJTSA-N 1 0 398.934 4.287 20 0 GIADRO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH+]1CCC(c2ccncn2)CC1 ZINC000414474717 823991516 /nfs/dbraw/zinc/99/15/16/823991516.db2.gz YSRKSMZVMWRUCK-UHFFFAOYSA-N 1 0 381.911 4.312 20 0 GIADRO CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH+]1CCC(c2ccncn2)CC1 ZINC000414471977 823991578 /nfs/dbraw/zinc/99/15/78/823991578.db2.gz QSQLKIZLZIWLIO-UHFFFAOYSA-N 1 0 389.547 4.399 20 0 GIADRO C[C@@H](CC(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccccc1F ZINC000126976000 823992817 /nfs/dbraw/zinc/99/28/17/823992817.db2.gz ZGLKVKIMWUUTSP-KRWDZBQOSA-N 1 0 384.495 4.162 20 0 GIADRO C[C@@H]1CC[C@H]([NH2+]CC2(c3ccc(C(F)(F)F)cc3)CC2)[C@H](n2cncn2)C1 ZINC000575783179 823993598 /nfs/dbraw/zinc/99/35/98/823993598.db2.gz AMGAXAMUXMPMIN-FHLIZLRMSA-N 1 0 378.442 4.348 20 0 GIADRO COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]Cc2cccnc2OCC(F)(F)F)cc1 ZINC000575784177 823994084 /nfs/dbraw/zinc/99/40/84/823994084.db2.gz PEPJAPDZJXAACZ-MORSLUCNSA-N 1 0 380.410 4.313 20 0 GIADRO CSc1ccc([C@@H](CN[C@@H](c2ncc[nH]2)c2ccc(F)cc2)[NH+](C)C)cc1 ZINC000575784809 823994684 /nfs/dbraw/zinc/99/46/84/823994684.db2.gz YDWVSDPCZGVOMI-WOJBJXKFSA-N 1 0 384.524 4.253 20 0 GIADRO CN(C)C(=O)[C@H]1CC[N@H+](Cc2nc(-c3cc(Cl)ccc3Cl)cs2)C1 ZINC000414493040 823994888 /nfs/dbraw/zinc/99/48/88/823994888.db2.gz BHOPNEDTPCUOEN-NSHDSACASA-N 1 0 384.332 4.027 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]Cc2ccc3nc(C)sc3c2)c1 ZINC000414497343 823995396 /nfs/dbraw/zinc/99/53/96/823995396.db2.gz SQBHCTRYGXVURP-UHFFFAOYSA-N 1 0 394.949 4.342 20 0 GIADRO CSc1ccc(C[NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)s1 ZINC000575788539 823996603 /nfs/dbraw/zinc/99/66/03/823996603.db2.gz QZYXAKJDDPISJK-HUUCEWRRSA-N 1 0 390.574 4.009 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+]Cc2ccc(-c3ccc(F)cc3C)o2)cn1 ZINC000414504142 823996929 /nfs/dbraw/zinc/99/69/29/823996929.db2.gz JSFVPZRWOMRJKP-KSFYIVLOSA-N 1 0 383.467 4.478 20 0 GIADRO COc1ccc([C@H](C)[NH2+]C[C@](C)(O)Cc2ccc(OC)c(OC)c2)cc1Cl ZINC000575791854 823997740 /nfs/dbraw/zinc/99/77/40/823997740.db2.gz PGXMPBDIFDORCO-LHSJRXKWSA-N 1 0 393.911 4.010 20 0 GIADRO CC(C)c1noc(-c2ccc(NC(=O)NC3CC[NH+](C(C)(C)C)CC3)cc2)n1 ZINC000170877410 823997970 /nfs/dbraw/zinc/99/79/70/823997970.db2.gz JOBCLNVEMWIFKB-UHFFFAOYSA-N 1 0 385.512 4.244 20 0 GIADRO CC(C)c1ccc(OCC(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)cc1 ZINC000127000850 823998262 /nfs/dbraw/zinc/99/82/62/823998262.db2.gz WSOSQTUZFGKJIF-UHFFFAOYSA-N 1 0 396.531 4.032 20 0 GIADRO C[C@H]([NH2+][C@H]1CCN(C(=O)C2CCCC2)C1)c1cc(Cl)ccc1OC(F)F ZINC000127004405 823998672 /nfs/dbraw/zinc/99/86/72/823998672.db2.gz GNKQYEAOFIBRRE-WFASDCNBSA-N 1 0 386.870 4.383 20 0 GIADRO O=C(C/C=C/c1ccc(F)cc1)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000127004441 823998768 /nfs/dbraw/zinc/99/87/68/823998768.db2.gz UOWDQIBZNLVQPN-NSCUHMNNSA-N 1 0 382.479 4.072 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)[C@@H]1CCCc2cccnc21 ZINC000192463202 824000261 /nfs/dbraw/zinc/00/02/61/824000261.db2.gz ICFNGSAYAXOTHE-JOCHJYFZSA-N 1 0 377.532 4.194 20 0 GIADRO OC[C@@H](C[NH2+]Cc1cc(Br)c(Cl)s1)c1ccc(F)cc1 ZINC000414521167 824000456 /nfs/dbraw/zinc/00/04/56/824000456.db2.gz DRAIAHZIRQVLNX-SNVBAGLBSA-N 1 0 378.694 4.169 20 0 GIADRO C[C@@H](C[NH2+][C@H](c1ccccc1)C1(CO)CCOCC1)c1cc(F)cc(F)c1 ZINC000414522668 824001382 /nfs/dbraw/zinc/00/13/82/824001382.db2.gz CBKCQKXVZRUFGJ-HRAATJIYSA-N 1 0 375.459 4.188 20 0 GIADRO COC(=O)COc1ccc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCCCC2)cc1 ZINC000414525040 824001681 /nfs/dbraw/zinc/00/16/81/824001681.db2.gz IYKZKWHYKLAIMU-QHCPKHFHSA-N 1 0 397.515 4.012 20 0 GIADRO Fc1cccc(Br)c1C[NH2+]CCc1nccn1Cc1ccccc1 ZINC000192465917 824001731 /nfs/dbraw/zinc/00/17/31/824001731.db2.gz GKKATTQQBGXINE-UHFFFAOYSA-N 1 0 388.284 4.165 20 0 GIADRO OCC1([C@@H]([NH2+]Cc2cnnn2Cc2ccccc2)c2ccccc2)CCCCC1 ZINC000414527953 824002471 /nfs/dbraw/zinc/00/24/71/824002471.db2.gz NKJLKRYPSPQVES-QHCPKHFHSA-N 1 0 390.531 4.100 20 0 GIADRO CC(C)(CC(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccccc1 ZINC000127025344 824002708 /nfs/dbraw/zinc/00/27/08/824002708.db2.gz KXEGPEKGTOARIH-UHFFFAOYSA-N 1 0 380.532 4.197 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)c2c(OC)cnc3ccccc32)CC1 ZINC000575817656 824002951 /nfs/dbraw/zinc/00/29/51/824002951.db2.gz FJSMIWSGEOIGAX-UHFFFAOYSA-N 1 0 383.536 4.218 20 0 GIADRO O=C1CCCN1[C@@H]1CCC[N@@H+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000414533022 824003392 /nfs/dbraw/zinc/00/33/92/824003392.db2.gz AYSGDPYWTCNBGT-QGZVFWFLSA-N 1 0 395.330 4.246 20 0 GIADRO CNC(=O)NC1CC[NH+](Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)CC1 ZINC000414538269 824005282 /nfs/dbraw/zinc/00/52/82/824005282.db2.gz AUZMYDAADAVEAM-UHFFFAOYSA-N 1 0 382.291 4.147 20 0 GIADRO OC[C@@H]([NH2+]Cc1ccc(-c2ccc(C(F)(F)F)cc2)s1)[C@@H]1CCCOC1 ZINC000414539029 824005372 /nfs/dbraw/zinc/00/53/72/824005372.db2.gz ASRVZLNNRNVLAE-RHSMWYFYSA-N 1 0 385.451 4.311 20 0 GIADRO CSc1ccccc1OC[C@@H](O)C[N@H+](Cc1cnc2c(C)cccn12)C(C)C ZINC000414537912 824005479 /nfs/dbraw/zinc/00/54/79/824005479.db2.gz ADPQVMHLIFTIQE-IBGZPJMESA-N 1 0 399.560 4.015 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)Nc2cc3c(cc2Br)CCC3)CC1 ZINC000192475897 824005536 /nfs/dbraw/zinc/00/55/36/824005536.db2.gz YGBFHEZINFJEOT-UHFFFAOYSA-N 1 0 394.357 4.276 20 0 GIADRO Cc1ccc(OCCCC(=O)Nc2ccc(C[NH2+][C@H]3CCOC[C@H]3C)cc2)cc1 ZINC000192478306 824006286 /nfs/dbraw/zinc/00/62/86/824006286.db2.gz KXWTZGMXPWKCRS-XXBNENTESA-N 1 0 396.531 4.307 20 0 GIADRO O=C(NCCC[NH+](Cc1ccccc1)Cc1ccccc1)c1ocnc1C1CC1 ZINC000575831974 824006687 /nfs/dbraw/zinc/00/66/87/824006687.db2.gz NECBLAZYUWMPLD-UHFFFAOYSA-N 1 0 389.499 4.374 20 0 GIADRO Cc1ccc2[nH]c(C[NH2+][C@@H](c3ccccc3)C3(CO)CCOCC3)cc2c1C ZINC000414546199 824007374 /nfs/dbraw/zinc/00/73/74/824007374.db2.gz XRSXLJCXRKQUSB-QHCPKHFHSA-N 1 0 378.516 4.405 20 0 GIADRO Cc1ccccc1[C@@H](C)CC(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000127051448 824007874 /nfs/dbraw/zinc/00/78/74/824007874.db2.gz IFUMPUNAEYVUPL-IBGZPJMESA-N 1 0 380.532 4.332 20 0 GIADRO C[C@H](CCc1cccc(F)c1)C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000127053495 824008121 /nfs/dbraw/zinc/00/81/21/824008121.db2.gz SODWUOZXXTYBMY-GOSISDBHSA-N 1 0 398.522 4.237 20 0 GIADRO CCCOc1c(Cl)cc(C[N@@H+]2CCC[C@H](N3CCCC3=O)CC2)cc1OC ZINC000414548877 824008632 /nfs/dbraw/zinc/00/86/32/824008632.db2.gz KRVFJUFCLHEAAP-KRWDZBQOSA-N 1 0 394.943 4.114 20 0 GIADRO Cn1cc(-c2ccc(CN3CC[C@]4(CC[N@H+](Cc5ccccc5)C4)C3)s2)cn1 ZINC000575837766 824008783 /nfs/dbraw/zinc/00/87/83/824008783.db2.gz NEEDRUAELZHWQY-QHCPKHFHSA-N 1 0 392.572 4.247 20 0 GIADRO CC[C@@H]([NH2+]CC(=O)Nc1cc(OC)c(Cl)cc1OC)c1ccc(C)cc1 ZINC000192490636 824009482 /nfs/dbraw/zinc/00/94/82/824009482.db2.gz HZPJOVZHSOXCJW-MRXNPFEDSA-N 1 0 376.884 4.345 20 0 GIADRO C[C@@H](c1ccncc1)N(C)C(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000127064320 824009836 /nfs/dbraw/zinc/00/98/36/824009836.db2.gz ZXKDLYJBDCNHBS-ZCNNSNEGSA-N 1 0 394.563 4.462 20 0 GIADRO COc1ccccc1[C@H]1[C@@H]([NH3+])CCCN1C(=O)CCc1ccc(Cl)s1 ZINC000575844576 824010683 /nfs/dbraw/zinc/01/06/83/824010683.db2.gz ZPDIDLCFXUZGDV-KXBFYZLASA-N 1 0 378.925 4.034 20 0 GIADRO O=C(CCSc1ccccc1)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000127070257 824011030 /nfs/dbraw/zinc/01/10/30/824011030.db2.gz XOEJFRBYTUSWQL-UHFFFAOYSA-N 1 0 384.545 4.012 20 0 GIADRO COc1cc(C[NH2+]CC(C)(C)c2cccnc2)ccc1OCc1ccncc1 ZINC000414556386 824011365 /nfs/dbraw/zinc/01/13/65/824011365.db2.gz KCNDCNDCMBSOAD-UHFFFAOYSA-N 1 0 377.488 4.132 20 0 GIADRO COc1cc(C[NH2+]C(C)(C)COC(C)C)cc(Br)c1OC(F)F ZINC000414558783 824012666 /nfs/dbraw/zinc/01/26/66/824012666.db2.gz ZOIKXEDTTUNEQE-UHFFFAOYSA-N 1 0 396.272 4.352 20 0 GIADRO C[C@@H]1CN(c2ccccc2C[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)CCO1 ZINC000414560311 824013263 /nfs/dbraw/zinc/01/32/63/824013263.db2.gz QVBMVWKNLZSSCT-YKSBVNFPSA-N 1 0 392.543 4.265 20 0 GIADRO C[C@@H](Cc1cn(C)c2ccc(F)cc12)[NH2+]Cc1ncc(Br)s1 ZINC000414569908 824014517 /nfs/dbraw/zinc/01/45/17/824014517.db2.gz QDDUJIKDMZCBFA-JTQLQIEISA-N 1 0 382.302 4.257 20 0 GIADRO OC[C@H]1CCC[C@H]([NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)C1 ZINC000414571797 824014557 /nfs/dbraw/zinc/01/45/57/824014557.db2.gz KTFQJLGTNXRRHB-WFASDCNBSA-N 1 0 381.339 4.213 20 0 GIADRO CCOC(=O)Nc1ccc(NC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000127093727 824015696 /nfs/dbraw/zinc/01/56/96/824015696.db2.gz UKBMYWQDMNMRED-HXUWFJFHSA-N 1 0 396.491 4.041 20 0 GIADRO Fc1ccc(N2CC[C@H]([NH2+]Cc3ccc(OCc4ccncc4)cc3)C2)cc1 ZINC000414582757 824015727 /nfs/dbraw/zinc/01/57/27/824015727.db2.gz LMPCUSKFUOTAKU-NRFANRHFSA-N 1 0 377.463 4.168 20 0 GIADRO CC[C@H]1c2ccsc2CCN1C(=O)C[NH2+][C@@H](c1ccc(OC)cc1)C1CC1 ZINC000192509400 824015991 /nfs/dbraw/zinc/01/59/91/824015991.db2.gz JAVIBZQYMKXUDF-SIKLNZKXSA-N 1 0 384.545 4.333 20 0 GIADRO CC(C)[N@@H+](Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C[C@H]1CCC(=O)N1 ZINC000414585460 824016288 /nfs/dbraw/zinc/01/62/88/824016288.db2.gz UAQDDLPXEHYNCJ-CQSZACIVSA-N 1 0 382.348 4.213 20 0 GIADRO OC[C@H]1CCC[C@H]([NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccs2)C1 ZINC000414590187 824016655 /nfs/dbraw/zinc/01/66/55/824016655.db2.gz XJYNRWDNBKCDCL-ICSRJNTNSA-N 1 0 381.545 4.301 20 0 GIADRO OC[C@@H]1CCC[C@@H]([NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccs2)C1 ZINC000414590191 824016789 /nfs/dbraw/zinc/01/67/89/824016789.db2.gz XJYNRWDNBKCDCL-UYAOXDASSA-N 1 0 381.545 4.301 20 0 GIADRO Cn1c2ccc(C[NH2+][C@@H]3CCCc4cc(OC(F)F)ccc43)cc2sc1=O ZINC000192516239 824017192 /nfs/dbraw/zinc/01/71/92/824017192.db2.gz OWJKAKUSFTXRSE-MRXNPFEDSA-N 1 0 390.455 4.369 20 0 GIADRO [NH3+]C1CCC(OCc2nc(-c3ccc(COc4ccccc4F)cc3)no2)CC1 ZINC000414618509 824017922 /nfs/dbraw/zinc/01/79/22/824017922.db2.gz JTTFIRCZYKOEEZ-UHFFFAOYSA-N 1 0 397.450 4.241 20 0 GIADRO CC(C)n1c(-c2cccnc2)nnc1N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000575877993 824017919 /nfs/dbraw/zinc/01/79/19/824017919.db2.gz IPTMOPBIKOLLHD-LJQANCHMSA-N 1 0 396.583 4.402 20 0 GIADRO COc1ccccc1-c1csc([C@H]2CCC[N@H+](CCCc3cncn3C)C2)n1 ZINC000575878235 824017957 /nfs/dbraw/zinc/01/79/57/824017957.db2.gz AIILBQCSFBCYEB-KRWDZBQOSA-N 1 0 396.560 4.364 20 0 GIADRO [NH3+]C1CCC(OCc2nc(-c3ccc(COc4ccccc4)cc3)no2)CC1 ZINC000414622561 824018338 /nfs/dbraw/zinc/01/83/38/824018338.db2.gz MXBGGXDYJKXMRE-UHFFFAOYSA-N 1 0 379.460 4.102 20 0 GIADRO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CC[N@H+](C)C2(CCCCC2)C1 ZINC000575878866 824018705 /nfs/dbraw/zinc/01/87/05/824018705.db2.gz BJVVGZLIGCJLHI-CQSZACIVSA-N 1 0 384.351 4.271 20 0 GIADRO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C)c1cncc(Br)c1 ZINC000575883497 824018964 /nfs/dbraw/zinc/01/89/64/824018964.db2.gz VSDINERARKKYRX-FTRWYGJKSA-N 1 0 388.353 4.405 20 0 GIADRO CC[C@@H]([NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccs2)C1)c1cccc(Cl)c1 ZINC000575889743 824020930 /nfs/dbraw/zinc/02/09/30/824020930.db2.gz KAWZCBJGUOWXKP-WMLDXEAASA-N 1 0 398.981 4.153 20 0 GIADRO CC(C)[C@@H](NC(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1)c1ccc(C(C)(C)C)cc1 ZINC000414668472 824022157 /nfs/dbraw/zinc/02/21/57/824022157.db2.gz IWFHVBGTBGYMSM-HRAATJIYSA-N 1 0 395.547 4.456 20 0 GIADRO O=C(c1cc(F)c(F)cc1F)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000575893240 824022371 /nfs/dbraw/zinc/02/23/71/824022371.db2.gz VAJGQNPGTYQKEN-UHFFFAOYSA-N 1 0 388.433 4.232 20 0 GIADRO [NH3+][C@@H]1CN(C(=O)Nc2ccc(OC(F)(F)F)cc2)CC[C@H]1c1ccc(F)cc1 ZINC000414675972 824022505 /nfs/dbraw/zinc/02/25/05/824022505.db2.gz MQDRQXYMUGSBJT-DLBZAZTESA-N 1 0 397.372 4.073 20 0 GIADRO CC1(C)CN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)[C@@H]1c1cccs1 ZINC000575898257 824023240 /nfs/dbraw/zinc/02/32/40/824023240.db2.gz PFZYZSKDAJJBAE-JOCHJYFZSA-N 1 0 397.588 4.260 20 0 GIADRO CCc1ccc2c(C[NH2+]C3(c4ccc(F)cc4)CCOCC3)cc(=O)oc2c1 ZINC000170971706 824023595 /nfs/dbraw/zinc/02/35/95/824023595.db2.gz PYQSBLNAPPJUJQ-UHFFFAOYSA-N 1 0 381.447 4.290 20 0 GIADRO COc1ccc(C[N@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc1OC(F)F ZINC000127141090 824025096 /nfs/dbraw/zinc/02/50/96/824025096.db2.gz QOHPYBSDYZTXIM-AWEZNQCLSA-N 1 0 388.418 4.070 20 0 GIADRO CCCOc1ccc(NC(=O)N2CCC(CC[NH2+]C)CC2)cc1OCCC ZINC000414713147 824025558 /nfs/dbraw/zinc/02/55/58/824025558.db2.gz KDXJDNBQXQYJLW-UHFFFAOYSA-N 1 0 377.529 4.118 20 0 GIADRO CCCOc1ccc(C(F)(F)F)cc1NC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000414712674 824025623 /nfs/dbraw/zinc/02/56/23/824025623.db2.gz TULUEYRNYMNIQV-QEJZJMRPSA-N 1 0 385.430 4.085 20 0 GIADRO COc1ccc(OCc2ccccn2)c(C[N@@H+]2CCCCC[C@@H]2C[C@@H](C)O)c1 ZINC000575907604 824026557 /nfs/dbraw/zinc/02/65/57/824026557.db2.gz NRDCANZGHWJBSH-WIYYLYMNSA-N 1 0 384.520 4.185 20 0 GIADRO [NH3+]C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(Br)cc3)cc2)C1 ZINC000414721234 824026494 /nfs/dbraw/zinc/02/64/94/824026494.db2.gz BKQXTLUMXIANSM-CYBMUJFWSA-N 1 0 390.281 4.054 20 0 GIADRO Cc1cc(Br)ccc1NC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000414719923 824026689 /nfs/dbraw/zinc/02/66/89/824026689.db2.gz AIICFRCMILCUAL-QGZVFWFLSA-N 1 0 376.298 4.359 20 0 GIADRO Cc1cccc(Oc2ccccc2NC(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000414721248 824026694 /nfs/dbraw/zinc/02/66/94/824026694.db2.gz BNMTYPXJHPDJQQ-GOSISDBHSA-N 1 0 395.503 4.007 20 0 GIADRO COc1ccc(Oc2ccc(Cl)cc2NC(=O)N2CC[C@H]([NH3+])[C@H](C)C2)cc1 ZINC000414722544 824027226 /nfs/dbraw/zinc/02/72/26/824027226.db2.gz GGETUSODRBRKCM-DYVFJYSZSA-N 1 0 389.883 4.342 20 0 GIADRO COc1ccc(Oc2ccc(Cl)cc2NC(=O)N2CC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000414723192 824027422 /nfs/dbraw/zinc/02/74/22/824027422.db2.gz HQGREZISSVDEOC-KBPBESRZSA-N 1 0 389.883 4.342 20 0 GIADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)C1 ZINC000414724354 824027825 /nfs/dbraw/zinc/02/78/25/824027825.db2.gz FAFQMQYAUSPBEL-NVXWUHKLSA-N 1 0 394.544 4.478 20 0 GIADRO CCOc1ccc(Oc2ccccc2NC(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000414726509 824028269 /nfs/dbraw/zinc/02/82/69/824028269.db2.gz OEEGEYKUOAWWPS-DLBZAZTESA-N 1 0 383.492 4.326 20 0 GIADRO CCOc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H]([C@H](C)[NH3+])C3)cc2)cc1 ZINC000414725733 824028387 /nfs/dbraw/zinc/02/83/87/824028387.db2.gz MPUYSPWXPXYQJB-DLBZAZTESA-N 1 0 383.492 4.469 20 0 GIADRO CC(C)(CO)[C@@H]([NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1)C1CC1 ZINC000575914319 824028637 /nfs/dbraw/zinc/02/86/37/824028637.db2.gz DGFACXLQCWZQTH-FQEVSTJZSA-N 1 0 386.923 4.479 20 0 GIADRO Cc1ccc(C)c(Sc2ccc(NC(=O)N3CCCO[C@H](C[NH3+])C3)cc2)c1 ZINC000414729952 824029033 /nfs/dbraw/zinc/02/90/33/824029033.db2.gz RRFDDTQSTKVPQA-GOSISDBHSA-N 1 0 385.533 4.036 20 0 GIADRO C[C@H]1C[C@H](NC(=O)Nc2ncc(Cc3ccc(C(F)(F)F)cc3)s2)CC[NH2+]1 ZINC000414729036 824029239 /nfs/dbraw/zinc/02/92/39/824029239.db2.gz DUIOKYSOGXEWLU-SMDDNHRTSA-N 1 0 398.454 4.015 20 0 GIADRO O[C@@H](C[NH+]1CCC([C@@H](O)c2ccc(F)cc2)CC1)c1ccccc1C(F)(F)F ZINC000170988515 824029283 /nfs/dbraw/zinc/02/92/83/824029283.db2.gz UZCNHOFHECYQDL-PMACEKPBSA-N 1 0 397.412 4.324 20 0 GIADRO [NH3+]CC[C@H]1CCCN(C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)C1 ZINC000414732543 824029662 /nfs/dbraw/zinc/02/96/62/824029662.db2.gz ANFCMXJZZQXVDK-GFCCVEGCSA-N 1 0 398.454 4.422 20 0 GIADRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)CC1 ZINC000414732801 824029978 /nfs/dbraw/zinc/02/99/78/824029978.db2.gz UXLYIPLEKCYJKQ-QFIPXVFZSA-N 1 0 375.516 4.500 20 0 GIADRO Cc1ccc(Cc2cnc(NC(=O)N3CCC[C@@H]([C@@H](C)[NH3+])C3)s2)cc1Cl ZINC000414733152 824030011 /nfs/dbraw/zinc/03/00/11/824030011.db2.gz JRLNTAMAEUDWMX-UKRRQHHQSA-N 1 0 392.956 4.287 20 0 GIADRO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)c1c(C(=O)[O-])c[nH+]c2ccccc21 ZINC000575925869 824030631 /nfs/dbraw/zinc/03/06/31/824030631.db2.gz BVVNCTCXNSXRKF-GJZGRUSLSA-N 1 0 399.491 4.043 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)c3ncsc3C(C)C)C2)s1 ZINC000575928745 824030948 /nfs/dbraw/zinc/03/09/48/824030948.db2.gz ZDFTWDBWBGBNQC-OAHLLOKOSA-N 1 0 377.579 4.231 20 0 GIADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 ZINC000414746469 824032422 /nfs/dbraw/zinc/03/24/22/824032422.db2.gz ZHZYDVUFDQXKRA-GHMZBOCLSA-N 1 0 399.347 4.242 20 0 GIADRO CCO[C@@H]1C[C@@H]([NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)[C@@H]1n1cccn1 ZINC000575940777 824032995 /nfs/dbraw/zinc/03/29/95/824032995.db2.gz PJTIUNXHGATILZ-SJBKTWHCSA-N 1 0 383.442 4.259 20 0 GIADRO CC(C)CC(=O)Nc1ccc(NC(=O)N(CCC[NH3+])Cc2ccccc2)cc1 ZINC000414780354 824035407 /nfs/dbraw/zinc/03/54/07/824035407.db2.gz AWBPMQIFFBHAND-UHFFFAOYSA-N 1 0 382.508 4.054 20 0 GIADRO C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000575950937 824035470 /nfs/dbraw/zinc/03/54/70/824035470.db2.gz XKTLBEGRBFVNTR-LDCOFTPGSA-N 1 0 394.359 4.252 20 0 GIADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)Nc1cc(Cl)ccc1OCC(F)(F)F ZINC000414786557 824036063 /nfs/dbraw/zinc/03/60/63/824036063.db2.gz KMFKAFKNLUWMQF-GFCCVEGCSA-N 1 0 381.826 4.118 20 0 GIADRO Cc1ccc(C[C@H]([NH2+]Cc2ccc3c(c2)sc(=O)n3C)c2ccccn2)cc1 ZINC000192574951 824036237 /nfs/dbraw/zinc/03/62/37/824036237.db2.gz NSKYTPWECQDBDP-FQEVSTJZSA-N 1 0 389.524 4.377 20 0 GIADRO CC[C@@H](C)Oc1ccccc1/C=C/C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000192576955 824036489 /nfs/dbraw/zinc/03/64/89/824036489.db2.gz LVDLSWHRDPVTEW-GNISGLHKSA-N 1 0 393.531 4.053 20 0 GIADRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)cc1 ZINC000414789665 824036624 /nfs/dbraw/zinc/03/66/24/824036624.db2.gz YKGWTAVYPCAHFO-HXUWFJFHSA-N 1 0 396.535 4.160 20 0 GIADRO C[C@H]1CN(C(=O)Nc2ccc(OC(F)F)c(Cc3ccccc3)c2)CC[C@@H]1[NH3+] ZINC000414788212 824036679 /nfs/dbraw/zinc/03/66/79/824036679.db2.gz NFKLETIDDVTYNM-KSSFIOAISA-N 1 0 389.446 4.080 20 0 GIADRO Cc1ccc(NC(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)cc1Br ZINC000414797483 824037369 /nfs/dbraw/zinc/03/73/69/824037369.db2.gz YSBFJEPDIWTXJA-PBHICJAKSA-N 1 0 380.330 4.144 20 0 GIADRO C[C@@H]([NH3+])c1ccc(NCc2cc(Br)c3c(c2)OCCCO3)cc1 ZINC000414799039 824037460 /nfs/dbraw/zinc/03/74/60/824037460.db2.gz DBWLCINJTAGGDJ-GFCCVEGCSA-N 1 0 377.282 4.242 20 0 GIADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCc1cc2ccccc2o1 ZINC000171014405 824037542 /nfs/dbraw/zinc/03/75/42/824037542.db2.gz BEYYCHRTTCUFJE-FQEVSTJZSA-N 1 0 392.503 4.024 20 0 GIADRO CC(C)[C@H]([NH3+])CNCc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000414806515 824037901 /nfs/dbraw/zinc/03/79/01/824037901.db2.gz ZLDOHINVZARVGP-GOSISDBHSA-N 1 0 380.319 4.319 20 0 GIADRO CCCCOc1ccc(OC)cc1NC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000414814709 824038738 /nfs/dbraw/zinc/03/87/38/824038738.db2.gz WBAUSHHCLYHUIU-YLJYHZDGSA-N 1 0 389.540 4.260 20 0 GIADRO [NH3+]CCCOC1CCN(C(=O)Nc2ccc(SC3CCCC3)cc2)CC1 ZINC000414820769 824039633 /nfs/dbraw/zinc/03/96/33/824039633.db2.gz BANIAIMYQOKPRF-UHFFFAOYSA-N 1 0 377.554 4.083 20 0 GIADRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)cc1 ZINC000414829801 824040304 /nfs/dbraw/zinc/04/03/04/824040304.db2.gz NFWPALYWMUBYFI-FCHUYYIVSA-N 1 0 397.519 4.189 20 0 GIADRO Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000414843859 824041099 /nfs/dbraw/zinc/04/10/99/824041099.db2.gz OTXHMLCUHFKKLM-IYARVYRRSA-N 1 0 394.519 4.134 20 0 GIADRO Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)NCC1([NH3+])CCCCC1 ZINC000414844566 824041282 /nfs/dbraw/zinc/04/12/82/824041282.db2.gz PVKYTXXIIJDVPO-UHFFFAOYSA-N 1 0 380.492 4.030 20 0 GIADRO Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)N2CCC[C@@H](CC[NH3+])C2)c1 ZINC000414843255 824041329 /nfs/dbraw/zinc/04/13/29/824041329.db2.gz CBHIBSCJHDEUPI-KRWDZBQOSA-N 1 0 383.540 4.071 20 0 GIADRO CC(C)C[C@@H](CN)[NH2+][C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414854234 824042652 /nfs/dbraw/zinc/04/26/52/824042652.db2.gz USPHTXAZSIQYJN-AAEUAGOBSA-N 1 0 379.854 4.039 20 0 GIADRO Cc1nc2cc(C(=O)NC3CCC([NH+](C)C)CC3)ccc2n1Cc1ccsc1 ZINC000575979668 824043695 /nfs/dbraw/zinc/04/36/95/824043695.db2.gz LVGMDJHXFJZHDK-UHFFFAOYSA-N 1 0 396.560 4.057 20 0 GIADRO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NCc2ncc(-c3ccccc3)s2)cc1 ZINC000414881645 824044558 /nfs/dbraw/zinc/04/45/58/824044558.db2.gz LDVHNIZMJPJVGM-VQTJNVASSA-N 1 0 379.529 4.054 20 0 GIADRO FC(F)(F)COCC[N@@H+]1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000171039057 824044582 /nfs/dbraw/zinc/04/45/82/824044582.db2.gz OGVAMAJZVJHGEA-CYBMUJFWSA-N 1 0 389.805 4.148 20 0 GIADRO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NCc2cnc(-c3ccccc3)s2)cc1 ZINC000414884917 824044904 /nfs/dbraw/zinc/04/49/04/824044904.db2.gz OKPDKRHIBGRWFC-LEWJYISDSA-N 1 0 379.529 4.054 20 0 GIADRO Cc1ncc2n1C[C@H](C(=O)N1CCC[C@@H]1c1nc3ccccc3n1C(C)C)CC2 ZINC000575993490 824045644 /nfs/dbraw/zinc/04/56/44/824045644.db2.gz CQMHECYGDMDBFU-DYESRHJHSA-N 1 0 391.519 4.048 20 0 GIADRO COCC[NH2+]C1CCN(C(=O)Nc2cc(C)ccc2Oc2ccccc2)CC1 ZINC000575995814 824046234 /nfs/dbraw/zinc/04/62/34/824046234.db2.gz YRXSFAFSHRJVCK-UHFFFAOYSA-N 1 0 383.492 4.020 20 0 GIADRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000414891879 824046438 /nfs/dbraw/zinc/04/64/38/824046438.db2.gz OUDPIZPLASPFPG-INIZCTEOSA-N 1 0 395.507 4.230 20 0 GIADRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)NCCC1=CC[NH2+]CC1 ZINC000414892879 824046676 /nfs/dbraw/zinc/04/66/76/824046676.db2.gz QHGFYAIHUYKSOZ-UHFFFAOYSA-N 1 0 393.491 4.070 20 0 GIADRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000414893832 824046709 /nfs/dbraw/zinc/04/67/09/824046709.db2.gz KLJSIRFYXGJJKC-QFIPXVFZSA-N 1 0 395.507 4.150 20 0 GIADRO [NH3+]C1(CNC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)CCCCCC1 ZINC000414893691 824046804 /nfs/dbraw/zinc/04/68/04/824046804.db2.gz YPGYXEJHHVULGG-UHFFFAOYSA-N 1 0 380.492 4.112 20 0 GIADRO C[NH+](C)CCc1ccc(C(=O)N(CCc2ccccc2)Cc2cccnc2)cc1 ZINC000576001171 824047667 /nfs/dbraw/zinc/04/76/67/824047667.db2.gz WVUVSQCUEJBRCB-UHFFFAOYSA-N 1 0 387.527 4.071 20 0 GIADRO O=C(Nc1cccc(CNCC[C@H]2CCC[NH2+]2)c1)c1ccc(Cl)cc1Cl ZINC000414912007 824049085 /nfs/dbraw/zinc/04/90/85/824049085.db2.gz XKZXXOIDAHJOHQ-MRXNPFEDSA-N 1 0 392.330 4.477 20 0 GIADRO C[NH+](C)C[C@H](NC(=O)c1cccc([C@@H]2CCCOC2)c1)c1ccc(Cl)cc1 ZINC000576010388 824049290 /nfs/dbraw/zinc/04/92/90/824049290.db2.gz LCCCMVHBQJUZGL-CTNGQTDRSA-N 1 0 386.923 4.267 20 0 GIADRO COc1ccc(CNC(=O)Nc2cccc(C[NH+](C)C)c2)c(C(F)(F)F)c1 ZINC000171055098 824049496 /nfs/dbraw/zinc/04/94/96/824049496.db2.gz CBBQEFRDDAQHLR-UHFFFAOYSA-N 1 0 381.398 4.097 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc2c(c1)sc(=O)n2C)c1ccc(OCC2CC2)c(F)c1 ZINC000192628461 824049672 /nfs/dbraw/zinc/04/96/72/824049672.db2.gz RYKKAPIIZXIVNO-CYBMUJFWSA-N 1 0 386.492 4.379 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CCC2(CCCCC2)CC1 ZINC000171056328 824050025 /nfs/dbraw/zinc/05/00/25/824050025.db2.gz UUNSYDCCUZCBKG-UHFFFAOYSA-N 1 0 384.568 4.325 20 0 GIADRO COc1cc(CN[C@@H](C[NH3+])c2ccc3ccccc3c2)c(SC)cc1OC ZINC000414936843 824051887 /nfs/dbraw/zinc/05/18/87/824051887.db2.gz HBAMTQHMDINQJX-IBGZPJMESA-N 1 0 382.529 4.369 20 0 GIADRO Cc1cccc(NC(=O)C[C@H](C)N[C@@H](C[NH3+])c2ccc3ccccc3c2)c1C ZINC000414940126 824052257 /nfs/dbraw/zinc/05/22/57/824052257.db2.gz JXWWCEWIIQRTBV-SBUREZEXSA-N 1 0 375.516 4.463 20 0 GIADRO Cc1cccc(NC(=O)C[C@@H](C)N[C@H](C[NH3+])c2ccc3ccccc3c2)c1C ZINC000414940130 824052421 /nfs/dbraw/zinc/05/24/21/824052421.db2.gz JXWWCEWIIQRTBV-UZUQRXQVSA-N 1 0 375.516 4.463 20 0 GIADRO C[C@H]1C[NH2+]CC[C@H]1NCc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000414948759 824053325 /nfs/dbraw/zinc/05/33/25/824053325.db2.gz YZVVHVRHFBKNDG-ORAYPTAESA-N 1 0 392.330 4.333 20 0 GIADRO CCOc1cc(C)ccc1NC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1 ZINC000414952104 824053353 /nfs/dbraw/zinc/05/33/53/824053353.db2.gz HUEMGGNMOIUZOV-UHFFFAOYSA-N 1 0 392.503 4.071 20 0 GIADRO COc1cc(C[N@H+](C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C2CC2)ccc1O ZINC000192640243 824053836 /nfs/dbraw/zinc/05/38/36/824053836.db2.gz IUGIXNHWFWLOEG-QFIPXVFZSA-N 1 0 390.524 4.012 20 0 GIADRO Cc1cccnc1C(C)(C)C[NH2+][C@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000576033153 824054336 /nfs/dbraw/zinc/05/43/36/824054336.db2.gz BQZYJVCWQAXDOW-QGZVFWFLSA-N 1 0 387.955 4.348 20 0 GIADRO CCCN(C(=O)Nc1ccccc1CN1CCc2ccccc21)C1CC[NH2+]CC1 ZINC000414967002 824055163 /nfs/dbraw/zinc/05/51/63/824055163.db2.gz CMAOADCFBJBRHH-UHFFFAOYSA-N 1 0 392.547 4.245 20 0 GIADRO C[C@H]1CCCN(C(=O)Nc2ccc(Br)cc2C(F)(F)F)[C@@H]1C[NH3+] ZINC000414966392 824055288 /nfs/dbraw/zinc/05/52/88/824055288.db2.gz BQVYPFLNWUFWKE-TVQRCGJNSA-N 1 0 394.235 4.059 20 0 GIADRO COc1cc(F)c(F)cc1NCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000576037382 824055259 /nfs/dbraw/zinc/05/52/59/824055259.db2.gz FVGIGFBALPTLBG-UHFFFAOYSA-N 1 0 375.463 4.116 20 0 GIADRO Cc1nc(C)c(CC[NH2+][C@H](C)c2ccccc2I)s1 ZINC000482816178 370698181 /nfs/dbraw/zinc/69/81/81/370698181.db2.gz PPVFVJRXRBJIKM-SNVBAGLBSA-N 1 0 386.302 4.258 20 0 GIADRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1ccc2ccccc2n1 ZINC000005609014 209124258 /nfs/dbraw/zinc/12/42/58/209124258.db2.gz NEDVLLRCNFBUEB-UHFFFAOYSA-N 1 0 387.487 4.179 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@@H](C)Cc2nc(-c3ccccc3)no2)cc(OC)c1OC ZINC000359872922 206265062 /nfs/dbraw/zinc/26/50/62/206265062.db2.gz LBWLOAMXNDZFRP-LSDHHAIUSA-N 1 0 397.475 4.044 20 0 GIADRO O=C(CC[NH+]1CCN(c2ccccc2)CC1)Nc1cc(Cl)ccc1Cl ZINC000022197611 207248357 /nfs/dbraw/zinc/24/83/57/207248357.db2.gz ZDNINAPSGWCZKT-UHFFFAOYSA-N 1 0 378.303 4.144 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cc2c(s1)CC[C@H](C)C2 ZINC000023657440 207281692 /nfs/dbraw/zinc/28/16/92/207281692.db2.gz KUYCHFXMIWPUNW-HNNXBMFYSA-N 1 0 383.561 4.185 20 0 GIADRO Cc1ccc(SCC(=O)Nc2cc(Cl)ccc2N2CC[NH+](C)CC2)cc1 ZINC000023651046 207280252 /nfs/dbraw/zinc/28/02/52/207280252.db2.gz NLAHLEYDTIFZFS-UHFFFAOYSA-N 1 0 389.952 4.131 20 0 GIADRO Cc1cc(N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)nc(C(C)C)n1 ZINC000016103410 221357772 /nfs/dbraw/zinc/35/77/72/221357772.db2.gz ACYXLQLZXYDUCO-UHFFFAOYSA-N 1 0 393.318 4.178 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)C1c2ccccc2Oc2ccccc21 ZINC000070928767 136165367 /nfs/dbraw/zinc/16/53/67/136165367.db2.gz RHGJQNHREGQXOE-UHFFFAOYSA-N 1 0 399.494 4.352 20 0 GIADRO Cc1ccc(-c2cc(C(F)(F)N3CCC4(CC([NH3+])C4)CC3)c(Cl)nn2)cc1 ZINC001164387793 718802603 /nfs/dbraw/zinc/80/26/03/718802603.db2.gz PZTIHZZLUCKYSS-UHFFFAOYSA-N 1 0 392.881 4.358 20 0 GIADRO Cc1cccc(-c2cc(C(F)(F)N3CCC4(CC([NH3+])C4)CC3)c(Cl)nn2)c1 ZINC001164387222 718802745 /nfs/dbraw/zinc/80/27/45/718802745.db2.gz JKJQFOOBMSIKCQ-UHFFFAOYSA-N 1 0 392.881 4.358 20 0 GIADRO Cc1ccc(Cl)nc1C(F)(F)N1CCC2(CC[NH2+]CC2)[C@@H]1C(F)(F)F ZINC001164389410 718815141 /nfs/dbraw/zinc/81/51/41/718815141.db2.gz WCGGQWDQVGVUGK-CYBMUJFWSA-N 1 0 383.792 4.099 20 0 GIADRO FC(F)(c1nc2cc(Cl)c(Cl)cc2nc1Cl)N1CC[C@H]2[NH2+]CC[C@H]21 ZINC001164410676 718874692 /nfs/dbraw/zinc/87/46/92/718874692.db2.gz FYRYXUMRUBIRSP-BXKDBHETSA-N 1 0 393.652 4.076 20 0 GIADRO Cc1ccc(Cl)nc1C(F)(F)N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001164413454 718880645 /nfs/dbraw/zinc/88/06/45/718880645.db2.gz INWGEKHLDDBTFP-LLVKDONJSA-N 1 0 383.792 4.242 20 0 GIADRO FC(F)(c1nc2cc(Cl)c(Cl)cc2nc1Cl)N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001164448707 718996907 /nfs/dbraw/zinc/99/69/07/718996907.db2.gz IPGIJWNROBGANX-SKDRFNHKSA-N 1 0 393.652 4.076 20 0 GIADRO Fc1cc(C(F)(F)N2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cnc1Cl ZINC001164618733 719045866 /nfs/dbraw/zinc/04/58/66/719045866.db2.gz BCVZMMKIQXXJIE-QAPCUYQASA-N 1 0 381.829 4.003 20 0 GIADRO CC(C)(C)OC(=O)c1ccnc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001164621043 719060860 /nfs/dbraw/zinc/06/08/60/719060860.db2.gz GMPBNJILWTWMKT-RTWAWAEBSA-N 1 0 393.531 4.138 20 0 GIADRO Cc1nc2ccc(F)cc2c(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164619052 719067853 /nfs/dbraw/zinc/06/78/53/719067853.db2.gz CDVXTFILQONTMX-PGRDOPGGSA-N 1 0 376.479 4.178 20 0 GIADRO Cc1nc2ccc(F)cc2c(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164619056 719067963 /nfs/dbraw/zinc/06/79/63/719067963.db2.gz CDVXTFILQONTMX-XMSQKQJNSA-N 1 0 376.479 4.178 20 0 GIADRO Cc1c[nH]c2nc(Cl)nc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)c12 ZINC001164625932 719070180 /nfs/dbraw/zinc/07/01/80/719070180.db2.gz NTGHREHBQDFJMK-IRXDYDNUSA-N 1 0 381.911 4.021 20 0 GIADRO [NH3+]C1([C@H]2CN(C(F)(F)c3ccc(-c4ccnc(Cl)c4)cc3)C[C@@H]2CF)CC1 ZINC001164624281 719117037 /nfs/dbraw/zinc/11/70/37/719117037.db2.gz FCRFFUJRWGUIEI-RDJZCZTQSA-N 1 0 395.856 4.460 20 0 GIADRO [NH3+]C1([C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccco4)c3)C[C@@H]2CF)CC1 ZINC001164619553 719126866 /nfs/dbraw/zinc/12/68/66/719126866.db2.gz FCHWBKWBVLJUBV-SMDDNHRTSA-N 1 0 385.817 4.053 20 0 GIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(Cl)nc3cc(C)ccc31)C2 ZINC001164810634 720129699 /nfs/dbraw/zinc/12/96/99/720129699.db2.gz KMWIVBWFJBHSDR-FDDCHVKYSA-N 1 0 399.966 4.381 20 0 GIADRO Fc1ccc2c(c1)cc(Cl)nc2N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164723175 720329064 /nfs/dbraw/zinc/32/90/64/720329064.db2.gz HILRLMJPIRVHQG-RTBURBONSA-N 1 0 382.870 4.276 20 0 GIADRO CC(C)(C)c1cc2ncnc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c2s1 ZINC001164726591 720357311 /nfs/dbraw/zinc/35/73/11/720357311.db2.gz PWQHANPNNKZKJV-ZWKOTPCHSA-N 1 0 393.560 4.237 20 0 GIADRO Clc1cnc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c(-c2ccccc2)n1 ZINC001164735031 720454400 /nfs/dbraw/zinc/45/44/00/720454400.db2.gz VBNUVXUTUYJSTA-RBUKOAKNSA-N 1 0 391.906 4.045 20 0 GIADRO Fc1cc2ccnc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c2cc1Cl ZINC001164727486 720469904 /nfs/dbraw/zinc/46/99/04/720469904.db2.gz NCNVLIYHFDRPBN-VQTJNVASSA-N 1 0 382.870 4.276 20 0 GIADRO Cc1cccc2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)nc12 ZINC001164833259 720506748 /nfs/dbraw/zinc/50/67/48/720506748.db2.gz CKJPKRAWFGARDL-BHDDXSALSA-N 1 0 389.547 4.118 20 0 GIADRO Cc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc2ccccc12 ZINC001164843065 720538640 /nfs/dbraw/zinc/53/86/40/720538640.db2.gz ZUEHJIYPADYXEG-TXTKFYIRSA-N 1 0 389.547 4.118 20 0 GIADRO Cc1cc(Cl)nc(C(F)(F)N([C@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)c1 ZINC001164735254 720545500 /nfs/dbraw/zinc/54/55/00/720545500.db2.gz NDXFUGBVPMSMBS-CQSZACIVSA-N 1 0 387.902 4.104 20 0 GIADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(C(C)(C)C)ncn1)CC2 ZINC001164838991 720711607 /nfs/dbraw/zinc/71/16/07/720711607.db2.gz JYBVSXOGECZIAQ-FQEVSTJZSA-N 1 0 394.563 4.034 20 0 GIADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(C(C)(C)C)nn1)CC2 ZINC001164837610 720713610 /nfs/dbraw/zinc/71/36/10/720713610.db2.gz FCUPORIWNHERPA-HXUWFJFHSA-N 1 0 394.563 4.034 20 0 GIADRO Cc1ccc2c(c1)nc(Cl)nc2N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164858495 720962569 /nfs/dbraw/zinc/96/25/69/720962569.db2.gz IWZUTIRBBZIEPA-HNNXBMFYSA-N 1 0 398.942 4.210 20 0 GIADRO CSc1ccnc(Cl)c1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001164863428 720977706 /nfs/dbraw/zinc/97/77/06/720977706.db2.gz VKIHNTSZFIBSEH-CYBMUJFWSA-N 1 0 379.961 4.075 20 0 GIADRO Cc1ccc(C[NH+]2CCC3(CCN(c4ncnc5c4CCC5)CC3)CC2)cc1 ZINC001164770794 721042524 /nfs/dbraw/zinc/04/25/24/721042524.db2.gz ZCLFNAPSJRSNDH-UHFFFAOYSA-N 1 0 376.548 4.156 20 0 GIADRO c1ccc([C@@H]2CO[C@]3(C2)CCCN(c2ccc(C[NH+]4CCCC4)cn2)C3)cc1 ZINC001164769657 721060780 /nfs/dbraw/zinc/06/07/80/721060780.db2.gz JSRUHJCKXGAAIU-UPVQGACJSA-N 1 0 377.532 4.221 20 0 GIADRO c1csc(-c2csc3ncnc(N4CC5(C4)CC[N@@H+](CC4CC4)C5)c23)c1 ZINC001164768097 721284201 /nfs/dbraw/zinc/28/42/01/721284201.db2.gz JOYNHPXWULCSRW-UHFFFAOYSA-N 1 0 382.558 4.342 20 0 GIADRO Cc1cccc2c1ncnc2N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001164792576 721492581 /nfs/dbraw/zinc/49/25/81/721492581.db2.gz RGVBZXIJGKCEQD-UHFFFAOYSA-N 1 0 387.531 4.214 20 0 GIADRO Cc1c[nH]c2nc(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)ccc12 ZINC001164792966 721493382 /nfs/dbraw/zinc/49/33/82/721493382.db2.gz WMTUNXUHMBJFFF-UHFFFAOYSA-N 1 0 375.520 4.147 20 0 GIADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cnc3ccc(F)cc3n1)CC2 ZINC001164792200 721494257 /nfs/dbraw/zinc/49/42/57/721494257.db2.gz KCMJXVLROZFGPD-UHFFFAOYSA-N 1 0 391.494 4.045 20 0 GIADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncnc3cccc(F)c31)CC2 ZINC001164792250 721496856 /nfs/dbraw/zinc/49/68/56/721496856.db2.gz LQZDCJSVPQBVAA-UHFFFAOYSA-N 1 0 391.494 4.045 20 0 GIADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(-c3ccccc3)ncn1)CC2 ZINC001164795051 721500126 /nfs/dbraw/zinc/50/01/26/721500126.db2.gz BQJPGOQBRGYOHX-UHFFFAOYSA-N 1 0 399.542 4.420 20 0 GIADRO CC(C)Sc1ccc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)nn1 ZINC001164796267 721502305 /nfs/dbraw/zinc/50/23/05/721502305.db2.gz OYUDYFGIQNTHGU-UHFFFAOYSA-N 1 0 397.592 4.253 20 0 GIADRO Cc1cccc2c1ccnc2N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164906945 721535331 /nfs/dbraw/zinc/53/53/31/721535331.db2.gz LZFYHBDCIOXAFY-UYAOXDASSA-N 1 0 377.463 4.024 20 0 GIADRO CC(C)COc1cccc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165027309 721820372 /nfs/dbraw/zinc/82/03/72/721820372.db2.gz UHDMOCNJIVDXAJ-BVSLBCMMSA-N 1 0 394.563 4.248 20 0 GIADRO Cc1cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc(C(C)(C)C)n1 ZINC001165019921 721825996 /nfs/dbraw/zinc/82/59/96/721825996.db2.gz CNDXLMZVNVOPLL-JBACZVJFSA-N 1 0 393.579 4.214 20 0 GIADRO CSCc1ccnc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165027009 721828829 /nfs/dbraw/zinc/82/88/29/721828829.db2.gz QSTZRGFWYFCULN-SESVDKBCSA-N 1 0 382.577 4.077 20 0 GIADRO Cc1cc(C(C)C)nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165024490 721830598 /nfs/dbraw/zinc/83/05/98/721830598.db2.gz KHIBFWXPXRGTOZ-DWLFOUALSA-N 1 0 379.552 4.040 20 0 GIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nccc3ccccc32)CC1 ZINC001165020523 721838619 /nfs/dbraw/zinc/83/86/19/721838619.db2.gz KHRUEFNPIOYSST-UHFFFAOYSA-N 1 0 391.515 4.353 20 0 GIADRO C[NH+](C)[C@@H]1CCCN(C(F)(F)c2cccc3c(Cl)nc(Cl)nc32)C1 ZINC001165040456 721892365 /nfs/dbraw/zinc/89/23/65/721892365.db2.gz WPJKQLAKSWAKHD-SNVBAGLBSA-N 1 0 375.250 4.012 20 0 GIADRO C[NH+](C)[C@H]1CCCN(C(F)(F)c2cc(-c3ccc(F)cc3)nnc2Cl)C1 ZINC001165036568 721899482 /nfs/dbraw/zinc/89/94/82/721899482.db2.gz HMVWLBUJAYISHA-AWEZNQCLSA-N 1 0 384.833 4.011 20 0 GIADRO Cc1ccc(-c2cc(C(F)(F)N3CCC[C@H]([NH+](C)C)C3)c(Cl)nn2)cc1 ZINC001165038896 721899505 /nfs/dbraw/zinc/89/95/05/721899505.db2.gz STRDTDJQGUHTOD-HNNXBMFYSA-N 1 0 380.870 4.181 20 0 GIADRO Cc1cc2c(ccnc2N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)o1 ZINC001164939397 721932157 /nfs/dbraw/zinc/93/21/57/721932157.db2.gz KHWIPJWOKRSJTI-UHFFFAOYSA-N 1 0 391.515 4.316 20 0 GIADRO C[NH+](C)CC1CCN(c2nc(-c3ccccc3F)nc3ccc(F)cc32)CC1 ZINC001165043268 721944071 /nfs/dbraw/zinc/94/40/71/721944071.db2.gz YEINWPVMNKWNPN-UHFFFAOYSA-N 1 0 382.458 4.353 20 0 GIADRO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@@H+](C(C)(C)c3ccnc(Cl)c3)C[C@@H]12 ZINC001164945470 721968368 /nfs/dbraw/zinc/96/83/68/721968368.db2.gz LAPIUMLGOQKTIF-NFBKMPQASA-N 1 0 397.950 4.235 20 0 GIADRO FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001165049070 721974166 /nfs/dbraw/zinc/97/41/66/721974166.db2.gz MKXYPMLGAJSMGZ-CYBMUJFWSA-N 1 0 393.309 4.259 20 0 GIADRO CC[NH+](CC)C1CCN(c2cnc(Cl)nc2Oc2ccccc2F)CC1 ZINC001165053594 722007466 /nfs/dbraw/zinc/00/74/66/722007466.db2.gz ALTXJYHANZRHAI-UHFFFAOYSA-N 1 0 378.879 4.372 20 0 GIADRO Clc1ccc2c(c1)nc(Cl)cc2N1CC[NH+](CCc2ccccn2)CC1 ZINC001165053412 722011065 /nfs/dbraw/zinc/01/10/65/722011065.db2.gz FPOQFDMPZVBTAK-UHFFFAOYSA-N 1 0 387.314 4.301 20 0 GIADRO c1ccc(-c2nc3ccccc3c(N3CC[NH+](CCc4ccccn4)CC3)n2)cc1 ZINC001165054198 722011424 /nfs/dbraw/zinc/01/14/24/722011424.db2.gz QLZVLTGUVVCWGF-UHFFFAOYSA-N 1 0 395.510 4.057 20 0 GIADRO FC(F)(c1cccnc1Cl)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164955067 722012468 /nfs/dbraw/zinc/01/24/68/722012468.db2.gz SLFDZPIHIODCPH-UHFFFAOYSA-N 1 0 392.881 4.167 20 0 GIADRO Clc1ccc2c(cnnc2N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1 ZINC001164953575 722018166 /nfs/dbraw/zinc/01/81/66/722018166.db2.gz UXWJCJWSGSSADY-UHFFFAOYSA-N 1 0 393.922 4.171 20 0 GIADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2nc(Cl)nc4ncccc42)C3)c1 ZINC001164995236 722194446 /nfs/dbraw/zinc/19/44/46/722194446.db2.gz SVANHGALISZBRB-NRFANRHFSA-N 1 0 397.885 4.062 20 0 GIADRO COc1ccc2cnc(N3CCC[C@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)nc2c1 ZINC001164995455 722197442 /nfs/dbraw/zinc/19/74/42/722197442.db2.gz UZTMYORELWLZSU-QHCPKHFHSA-N 1 0 392.478 4.022 20 0 GIADRO COc1cc(Cl)nc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164993644 722198445 /nfs/dbraw/zinc/19/84/45/722198445.db2.gz GJUCFXMKERIPGE-HXUWFJFHSA-N 1 0 375.875 4.128 20 0 GIADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2ncnc4cccc(F)c42)C3)c1 ZINC001164994086 722202213 /nfs/dbraw/zinc/20/22/13/722202213.db2.gz FPJWWNGSRYIDDU-JOCHJYFZSA-N 1 0 380.442 4.153 20 0 GIADRO COc1nc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc2ccccc21 ZINC001164995588 722202498 /nfs/dbraw/zinc/20/24/98/722202498.db2.gz OKTUFLDJJRBHFE-QHCPKHFHSA-N 1 0 392.478 4.022 20 0 GIADRO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2ncc4cc(F)ccc4n2)C3)c1 ZINC001164996672 722205352 /nfs/dbraw/zinc/20/53/52/722205352.db2.gz VCPCQGLYHBTVRW-QFIPXVFZSA-N 1 0 380.442 4.153 20 0 GIADRO CC(C)Sc1ccc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nn1 ZINC001164998501 722210826 /nfs/dbraw/zinc/21/08/26/722210826.db2.gz WFFPPVAVDPVJFL-NRFANRHFSA-N 1 0 386.540 4.361 20 0 GIADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2nccc4c5c([nH]c42)CCC5)C3)c1 ZINC001164997513 722211929 /nfs/dbraw/zinc/21/19/29/722211929.db2.gz RBCXRRWQPJJQDP-DEOSSOPVSA-N 1 0 390.506 4.436 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)NCc1ccc(-c2cccnc2)cc1 ZINC000458476476 823045244 /nfs/dbraw/zinc/04/52/44/823045244.db2.gz UYLOULXOXRFCGB-UHFFFAOYSA-N 1 0 394.544 4.084 20 0 GIADRO Cc1cc2c(cc1C)[C@@H]([NH2+]CCNC(=O)c1c(F)cccc1F)CCS2 ZINC000187337021 823045475 /nfs/dbraw/zinc/04/54/75/823045475.db2.gz QRIVPMMEGKRPNW-KRWDZBQOSA-N 1 0 376.472 4.138 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000187343786 823046445 /nfs/dbraw/zinc/04/64/45/823046445.db2.gz JVEWDSSPXKZPEI-FQEVSTJZSA-N 1 0 386.854 4.373 20 0 GIADRO CCS[C@H]1CCCC[C@@H]1NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458489053 823046777 /nfs/dbraw/zinc/04/67/77/823046777.db2.gz HZYULQWHNQUUJQ-HOTGVXAUSA-N 1 0 395.535 4.109 20 0 GIADRO O=C(Nc1ccc(Cl)cn1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000175818136 823047171 /nfs/dbraw/zinc/04/71/71/823047171.db2.gz BPVQWIBYWDXXAF-UHFFFAOYSA-N 1 0 379.291 4.175 20 0 GIADRO COc1ccc(-c2ccncc2)cc1CN[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000187356937 823048965 /nfs/dbraw/zinc/04/89/65/823048965.db2.gz GSTVWWGNAIZDLL-WIYYLYMNSA-N 1 0 379.548 4.500 20 0 GIADRO C[S@@](=O)c1ccc(NC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)cc1 ZINC000175828686 823049382 /nfs/dbraw/zinc/04/93/82/823049382.db2.gz VHAOMQQXRIZCMF-MUUNZHRXSA-N 1 0 399.560 4.122 20 0 GIADRO C[S@](=O)c1ccc(NC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)cc1 ZINC000175828707 823049413 /nfs/dbraw/zinc/04/94/13/823049413.db2.gz VHAOMQQXRIZCMF-NDEPHWFRSA-N 1 0 399.560 4.122 20 0 GIADRO COc1cc(F)c([C@H](C)[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)cc1OC ZINC000187368874 823051038 /nfs/dbraw/zinc/05/10/38/823051038.db2.gz UFVUMZZUTVZRSW-ZDUSSCGKSA-N 1 0 375.440 4.339 20 0 GIADRO C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458526676 823051225 /nfs/dbraw/zinc/05/12/25/823051225.db2.gz WJEVTZWABXKDLT-ZBFHGGJFSA-N 1 0 377.495 4.259 20 0 GIADRO C[C@H](Oc1ccc(C(=O)N2CCC[N@H+](CC3CCC3)CC2)cn1)c1ccccc1 ZINC000570539566 823051472 /nfs/dbraw/zinc/05/14/72/823051472.db2.gz KZOOYTSYVABNCC-IBGZPJMESA-N 1 0 393.531 4.170 20 0 GIADRO C[C@@H](Oc1ccc(C(=O)N2CCC[N@H+](CC3CCC3)CC2)cn1)c1ccccc1 ZINC000570539567 823051508 /nfs/dbraw/zinc/05/15/08/823051508.db2.gz KZOOYTSYVABNCC-LJQANCHMSA-N 1 0 393.531 4.170 20 0 GIADRO COC(=O)c1cc2cc(C[N@@H+]3CCC[C@@H]3C[C@H](O)c3cccs3)ccc2o1 ZINC000175847800 823054208 /nfs/dbraw/zinc/05/42/08/823054208.db2.gz IECRYIFVEKSSDT-SJORKVTESA-N 1 0 385.485 4.369 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCc3cc(F)ccc32)[C@@H]1c1cccs1 ZINC000175847190 823054235 /nfs/dbraw/zinc/05/42/35/823054235.db2.gz LCEWSTRLFMMRSM-XFQXTVEOSA-N 1 0 387.524 4.257 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@@H]2CCCN(Cc3ccccn3)C2=O)c2ccccc12 ZINC000570551121 823053149 /nfs/dbraw/zinc/05/31/49/823053149.db2.gz TWTCFUOYQYBPSQ-HTAPYJJXSA-N 1 0 389.499 4.085 20 0 GIADRO Cc1cc(C)n(CCC[NH2+]Cc2c(C)nn(Cc3ccccc3Cl)c2C)n1 ZINC000120739649 823055301 /nfs/dbraw/zinc/05/53/01/823055301.db2.gz RDUDCJHVTXDOLZ-UHFFFAOYSA-N 1 0 385.943 4.195 20 0 GIADRO CC(C)[C@@H](Oc1ccccc1Br)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000570563664 823055454 /nfs/dbraw/zinc/05/54/54/823055454.db2.gz PLHPYFZAYBCXKY-GOSISDBHSA-N 1 0 389.293 4.094 20 0 GIADRO O=C(c1cc(-c2ccc3ccccc3c2)n[nH]1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000570565049 823055587 /nfs/dbraw/zinc/05/55/87/823055587.db2.gz WKQLMIJXLUBPJI-UHFFFAOYSA-N 1 0 388.515 4.178 20 0 GIADRO CSCCCC[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000187398304 823055746 /nfs/dbraw/zinc/05/57/46/823055746.db2.gz HTHMYUKIVYUMEH-UHFFFAOYSA-N 1 0 382.165 4.027 20 0 GIADRO O=C(NCC[C@@H]1CC[NH2+]C1)c1c(F)cccc1Sc1ccc(Cl)cc1 ZINC000570570083 823055960 /nfs/dbraw/zinc/05/59/60/823055960.db2.gz LHDQOSQWBGFAOL-ZDUSSCGKSA-N 1 0 378.900 4.360 20 0 GIADRO CCOc1ccc(C[N@H+](CCCn2ccnc2)Cc2ccc(C)nc2C)cc1 ZINC000187399774 823056066 /nfs/dbraw/zinc/05/60/66/823056066.db2.gz KSMHBPSXUQIIAJ-UHFFFAOYSA-N 1 0 378.520 4.386 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)[C@H](C)C1 ZINC000120749048 823056519 /nfs/dbraw/zinc/05/65/19/823056519.db2.gz VHIRUMVSBDTWHT-QAPCUYQASA-N 1 0 378.948 4.134 20 0 GIADRO COc1ccccc1OC[C@@H](C)C[NH2+][C@H](C)c1ncc(Br)cc1F ZINC000187409315 823057677 /nfs/dbraw/zinc/05/76/77/823057677.db2.gz QXSQVMBNGABUHW-QWHCGFSZSA-N 1 0 397.288 4.358 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C1CCS(=O)(=O)CC1)[C@H](C)c1ccccc1C(F)(F)F ZINC000187414219 823059027 /nfs/dbraw/zinc/05/90/27/823059027.db2.gz UPDMSUPDGAYDHM-MJBXVCDLSA-N 1 0 377.472 4.000 20 0 GIADRO C[NH+](C)CCN(Cc1cccs1)C(=O)Nc1ccccc1N1CCCCC1 ZINC000175869832 823059827 /nfs/dbraw/zinc/05/98/27/823059827.db2.gz DNGDFXANQNDTOI-UHFFFAOYSA-N 1 0 386.565 4.334 20 0 GIADRO COc1cc(C[NH2+]C2CC(c3ccccc3)C2)cc(OC)c1OCC(F)F ZINC000570599445 823060024 /nfs/dbraw/zinc/06/00/24/823060024.db2.gz UGCNESWSBGGKMO-UHFFFAOYSA-N 1 0 377.431 4.384 20 0 GIADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000175870958 823060091 /nfs/dbraw/zinc/06/00/91/823060091.db2.gz TZSQAQCPJOYRBO-UHFFFAOYSA-N 1 0 395.853 4.477 20 0 GIADRO C[C@@H](Cc1cccc(F)c1)N(C)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000458588527 823060162 /nfs/dbraw/zinc/06/01/62/823060162.db2.gz XARLTMSIBFBJKV-ROUUACIJSA-N 1 0 398.526 4.019 20 0 GIADRO C[C@H](Cc1cccc(F)c1)N(C)C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000458588525 823060293 /nfs/dbraw/zinc/06/02/93/823060293.db2.gz XARLTMSIBFBJKV-QZTJIDSGSA-N 1 0 398.526 4.019 20 0 GIADRO C[NH+](C)CCOc1ccccc1-c1nc(Cc2ccc(F)cc2Cl)no1 ZINC000570603102 823060542 /nfs/dbraw/zinc/06/05/42/823060542.db2.gz KZXHWNUQKAELNK-UHFFFAOYSA-N 1 0 375.831 4.060 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1cnc(-c2ccccc2)[nH]1 ZINC000570602779 823060742 /nfs/dbraw/zinc/06/07/42/823060742.db2.gz DHVSTPRRKBYNCJ-UHFFFAOYSA-N 1 0 394.906 4.125 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N1CC2(CCC2)[C@@H]1c1ccccc1 ZINC000458611739 823063323 /nfs/dbraw/zinc/06/33/23/823063323.db2.gz NJPZWUVPZIUDBH-QFIPXVFZSA-N 1 0 390.531 4.235 20 0 GIADRO [NH3+][C@@H]1CCc2ncc(NC(=O)N3CCCC[C@H]3c3ccc(Cl)cc3)cc2C1 ZINC000570616787 823062847 /nfs/dbraw/zinc/06/28/47/823062847.db2.gz KDCBEMRFMLYUAH-XLIONFOSSA-N 1 0 384.911 4.310 20 0 GIADRO O=C(N1CC[C@@H](C[NH+]2CCCCC2)C1)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000187433835 823062786 /nfs/dbraw/zinc/06/27/86/823062786.db2.gz QKRLGKMVWWJCTH-HNNXBMFYSA-N 1 0 398.444 4.211 20 0 GIADRO Cc1cccnc1C(C)(C)C[NH2+]CCC(=O)Nc1cccc(Br)c1 ZINC000570626850 823063961 /nfs/dbraw/zinc/06/39/61/823063961.db2.gz HDUGVLMJOGSEEK-UHFFFAOYSA-N 1 0 390.325 4.049 20 0 GIADRO C[C@H]([NH2+]C1CCN(c2ccccn2)CC1)c1ccc(F)c(Br)c1 ZINC000124347389 823589047 /nfs/dbraw/zinc/58/90/47/823589047.db2.gz XEAOVEKPWYTNFV-ZDUSSCGKSA-N 1 0 378.289 4.303 20 0 GIADRO CN(C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000458618495 823064538 /nfs/dbraw/zinc/06/45/38/823064538.db2.gz UTTSWZWYLKUBRB-XZOQPEGZSA-N 1 0 392.547 4.276 20 0 GIADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](c2ccc(F)cc2F)C(C)(C)C)cc1 ZINC000120804073 823067698 /nfs/dbraw/zinc/06/76/98/823067698.db2.gz XDDQONBNMQBDQH-YJYMSZOUSA-N 1 0 396.503 4.311 20 0 GIADRO O=C(C[C@@H]1CCC[N@H+](Cc2cc3ccc(F)cc3[nH]2)C1)NCc1ccc(F)cc1 ZINC000570633404 823064644 /nfs/dbraw/zinc/06/46/44/823064644.db2.gz SDFAVMSHLKZKHK-KRWDZBQOSA-N 1 0 397.469 4.365 20 0 GIADRO CCCOc1ccc(NC(=O)NCc2ccccc2OCC[NH+](C)C)c(C)c1 ZINC000120790811 823064769 /nfs/dbraw/zinc/06/47/69/823064769.db2.gz CMMZTMAGYZPCNO-UHFFFAOYSA-N 1 0 385.508 4.046 20 0 GIADRO CC(C)Oc1ccccc1C[NH+]1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000055904439 823064839 /nfs/dbraw/zinc/06/48/39/823064839.db2.gz FBKSBMPOCXDEMR-UHFFFAOYSA-N 1 0 387.911 4.373 20 0 GIADRO Cc1cccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1Br ZINC000120792225 823065060 /nfs/dbraw/zinc/06/50/60/823065060.db2.gz CRIWAXZOLVGTKD-RHSMWYFYSA-N 1 0 392.341 4.238 20 0 GIADRO O=C(NC1CC[NH+](CC2CC2)CC1)N1CCC(c2ccc(Cl)cc2)CC1 ZINC000187445701 823065255 /nfs/dbraw/zinc/06/52/55/823065255.db2.gz YIWQJWFQRHNJTD-UHFFFAOYSA-N 1 0 375.944 4.103 20 0 GIADRO C[C@@H](NC(=O)N1CCc2c(Cl)cc(F)cc2C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000458627235 823066065 /nfs/dbraw/zinc/06/60/65/823066065.db2.gz GRLUHNMPZWZXBN-HUUCEWRRSA-N 1 0 393.934 4.200 20 0 GIADRO COc1ccc(OCc2nc(C[NH2+]CC3(OC)CCCCC3)cs2)cc1 ZINC000187453329 823066364 /nfs/dbraw/zinc/06/63/64/823066364.db2.gz AYULGOKFAJAWGN-UHFFFAOYSA-N 1 0 376.522 4.170 20 0 GIADRO C[C@@H](c1ccco1)N(C)C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000187452529 823066395 /nfs/dbraw/zinc/06/63/95/823066395.db2.gz VXTSWODHCUEWRO-BBRMVZONSA-N 1 0 383.414 4.304 20 0 GIADRO CC(C)C[C@H](C)Oc1cc(C[NH2+][C@@H](C)c2ccccc2-n2ccnn2)ccn1 ZINC000570649860 823066773 /nfs/dbraw/zinc/06/67/73/823066773.db2.gz QGRGNADFVAXNJY-ROUUACIJSA-N 1 0 379.508 4.327 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)c1occc1Br ZINC000175899343 823066937 /nfs/dbraw/zinc/06/69/37/823066937.db2.gz JYHHJJOBLFPUTA-UHFFFAOYSA-N 1 0 391.309 4.348 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)Nc2ccc(-n3cccn3)cc2)CC1 ZINC000175900226 823067269 /nfs/dbraw/zinc/06/72/69/823067269.db2.gz NKICQOQLNOHYBS-UHFFFAOYSA-N 1 0 389.503 4.001 20 0 GIADRO Cc1cc(C)c(NC(=O)[C@H](C)N2CC[NH+](CCC(C)(C)C)CC2)c(Cl)c1 ZINC000055933462 823068367 /nfs/dbraw/zinc/06/83/67/823068367.db2.gz HOXGBVAVQDCVBL-KRWDZBQOSA-N 1 0 379.976 4.338 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)c1C ZINC000175903680 823068420 /nfs/dbraw/zinc/06/84/20/823068420.db2.gz HLLOMQMVFSQUDZ-UHFFFAOYSA-N 1 0 394.519 4.082 20 0 GIADRO C[C@@H](Cc1cccc(F)c1)N(C)C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000458644505 823068830 /nfs/dbraw/zinc/06/88/30/823068830.db2.gz XVOULGFBFKWTNL-LNLFQRSKSA-N 1 0 375.532 4.051 20 0 GIADRO CCCOc1ccc([C@@H](C)NC(=O)Nc2cccc3c2CC[NH2+]C3)cc1OC ZINC000570664077 823068885 /nfs/dbraw/zinc/06/88/85/823068885.db2.gz LIFLYRKLZBALKI-OAHLLOKOSA-N 1 0 383.492 4.012 20 0 GIADRO CN(C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000175905894 823069029 /nfs/dbraw/zinc/06/90/29/823069029.db2.gz YWTNNGRKAJFURE-UHFFFAOYSA-N 1 0 399.510 4.043 20 0 GIADRO CCc1nn(C)c(OC)c1C[NH2+][C@@H](C)c1sc(-c2ccccc2F)nc1C ZINC000120813076 823069253 /nfs/dbraw/zinc/06/92/53/823069253.db2.gz HGKPPGLDQWZTQO-LBPRGKRZSA-N 1 0 388.512 4.413 20 0 GIADRO CCOc1ccccc1[C@@H](CC)NC(=O)C[NH2+][C@H](c1ncccc1C)C(C)C ZINC000120814522 823069530 /nfs/dbraw/zinc/06/95/30/823069530.db2.gz NQZYQYKIVGUSAG-KNQAVFIVSA-N 1 0 383.536 4.343 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](c2ccc(F)cc2)[C@H]2CCCO2)cc1 ZINC000055946208 823070434 /nfs/dbraw/zinc/07/04/34/823070434.db2.gz MJRADFNNFVDTJB-YADHBBJMSA-N 1 0 384.495 4.318 20 0 GIADRO Cc1nc([C@H]2CCCN2C(=O)NCC2CC[NH+](CCC(C)C)CC2)cs1 ZINC000187474130 823070550 /nfs/dbraw/zinc/07/05/50/823070550.db2.gz VMLHKWHXNBDIAU-LJQANCHMSA-N 1 0 378.586 4.056 20 0 GIADRO Cc1ccnc(-c2cccc(NC(=O)NC[C@H]([NH3+])c3ccc(C(C)C)cc3)c2)n1 ZINC000570690040 823072230 /nfs/dbraw/zinc/07/22/30/823072230.db2.gz ANALPXGIBJLBGS-NRFANRHFSA-N 1 0 389.503 4.397 20 0 GIADRO Cc1cccnc1[C@H]([NH2+]CC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1)C(C)C ZINC000120822141 823071163 /nfs/dbraw/zinc/07/11/63/823071163.db2.gz ZYRBFSOEWLNRAN-FOIQADDNSA-N 1 0 375.463 4.175 20 0 GIADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Nc1ccc(N(C)C)c(C)c1 ZINC000175917674 823072467 /nfs/dbraw/zinc/07/24/67/823072467.db2.gz SCAZJAKXRHYPCG-UHFFFAOYSA-N 1 0 388.478 4.189 20 0 GIADRO COc1cc([C@@H](C)N[C@H](C[NH+]2CCCC2)c2ccccc2)cc(OC)c1OC ZINC000120828656 823072819 /nfs/dbraw/zinc/07/28/19/823072819.db2.gz JZABCVUDFWDOQS-YLJYHZDGSA-N 1 0 384.520 4.200 20 0 GIADRO C[C@H](Cc1cccc(F)c1)N(C)C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000458681325 823073440 /nfs/dbraw/zinc/07/34/40/823073440.db2.gz NSRWQVLIPMWENV-XQBPLPMBSA-N 1 0 397.538 4.309 20 0 GIADRO C[C@H](NC(=O)N1CC(c2cccc(Cl)c2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000458683435 823073862 /nfs/dbraw/zinc/07/38/62/823073862.db2.gz OZILREIKBKQAEP-PXNSSMCTSA-N 1 0 397.950 4.359 20 0 GIADRO CN(C(=O)NCc1ccc(Cl)cc1F)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458688216 823074331 /nfs/dbraw/zinc/07/43/31/823074331.db2.gz XLSOQHFWOXKNQN-UHFFFAOYSA-N 1 0 395.828 4.037 20 0 GIADRO C[C@H](N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1cccc(N2CCCC2=O)c1 ZINC000120839617 823074596 /nfs/dbraw/zinc/07/45/96/823074596.db2.gz RGPHNTFDPPWTJZ-CVDCTZTESA-N 1 0 377.532 4.301 20 0 GIADRO Cc1ccc(NC(=O)[C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c(C[NH+](C)C)c1 ZINC000120844706 823075462 /nfs/dbraw/zinc/07/54/62/823075462.db2.gz CXTDGUKKDMJRNR-FUHWJXTLSA-N 1 0 389.540 4.079 20 0 GIADRO Cc1ccccc1CNC(=O)C[NH2+][C@@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000570719991 823075624 /nfs/dbraw/zinc/07/56/24/823075624.db2.gz WQTDKWSOWZDNQP-SFHVURJKSA-N 1 0 375.472 4.149 20 0 GIADRO Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)c3ccc(C[NH+](C)C)cc3)cc2)n1 ZINC000175938727 823077161 /nfs/dbraw/zinc/07/71/61/823077161.db2.gz JYRAWNAYWNUXJS-SFHVURJKSA-N 1 0 376.504 4.042 20 0 GIADRO C/C=C/c1ccc(OC[C@H](O)C[NH2+][C@H](c2ncccc2C)C(C)C)c(OC)c1 ZINC000120849190 823076195 /nfs/dbraw/zinc/07/61/95/823076195.db2.gz QLDPDLWLGBLVIS-HUHHHVMHSA-N 1 0 384.520 4.158 20 0 GIADRO CCOc1ccc(NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)cc1F ZINC000175956291 823081677 /nfs/dbraw/zinc/08/16/77/823081677.db2.gz OMFFDPWBXUYPJC-UHFFFAOYSA-N 1 0 385.483 4.353 20 0 GIADRO CCn1ccnc1[C@@H]1CCCCN1CCOc1cccc(Br)c1 ZINC000570744057 823079507 /nfs/dbraw/zinc/07/95/07/823079507.db2.gz ZSNYLXQWBHPPLU-KRWDZBQOSA-N 1 0 378.314 4.272 20 0 GIADRO CO[C@H](C)c1noc(CN2CCCC[C@H]2Cc2ccccc2Br)n1 ZINC000570744167 823079772 /nfs/dbraw/zinc/07/97/72/823079772.db2.gz FIVNZWLQVLSUOL-HIFRSBDPSA-N 1 0 394.313 4.137 20 0 GIADRO C[C@H](N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1noc(-c2ccccc2)n1 ZINC000570746052 823079959 /nfs/dbraw/zinc/07/99/59/823079959.db2.gz SJWSOXDHCPOSJC-BBTUJRGHSA-N 1 0 376.504 4.298 20 0 GIADRO Cc1coc(-c2ccc(C)c(NC(=O)NC[C@H](c3ccccc3)[NH+](C)C)c2)n1 ZINC000120872177 823080220 /nfs/dbraw/zinc/08/02/20/823080220.db2.gz PYSOZGDWZFWVRF-HXUWFJFHSA-N 1 0 378.476 4.383 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCc3c(F)cccc3C2)[C@@H]1c1cccs1 ZINC000120874179 823080648 /nfs/dbraw/zinc/08/06/48/823080648.db2.gz VRYHLYVZKCIRMK-FOIQADDNSA-N 1 0 387.524 4.038 20 0 GIADRO C[C@@H](N[C@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(N2CCCC2=O)cc1 ZINC000120874267 823080792 /nfs/dbraw/zinc/08/07/92/823080792.db2.gz GFZTZZAQXMWXMB-AUSIDOKSSA-N 1 0 377.532 4.301 20 0 GIADRO C[C@@H]1CCC[C@@H](CNC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)[C@H]1C ZINC000458749584 823081253 /nfs/dbraw/zinc/08/12/53/823081253.db2.gz TUNPZFLPBDNJNT-PMPSAXMXSA-N 1 0 377.495 4.117 20 0 GIADRO C[NH+](C)CCN(Cc1cccs1)C(=O)Nc1ccc(N2CCCC2)c(F)c1 ZINC000175954206 823081332 /nfs/dbraw/zinc/08/13/32/823081332.db2.gz WNPLHOITEJANOA-UHFFFAOYSA-N 1 0 390.528 4.083 20 0 GIADRO OC[C@@]1(Cc2ccc(F)cc2)CC[N@H+](Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000570758050 823082010 /nfs/dbraw/zinc/08/20/10/823082010.db2.gz NZTPCXDXNKQXRV-JOCHJYFZSA-N 1 0 384.426 4.047 20 0 GIADRO COc1ccc(C[C@H](C)C[NH2+][C@@H](c2cnn(C)c2)c2ccc(F)cc2)cc1F ZINC000187527476 823082197 /nfs/dbraw/zinc/08/21/97/823082197.db2.gz MBRBWNKKUHYBME-OYHNWAKOSA-N 1 0 385.458 4.265 20 0 GIADRO Cc1cc(C)c(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1Br ZINC000187528413 823082317 /nfs/dbraw/zinc/08/23/17/823082317.db2.gz AMCVBTKASZGFLM-YOEHRIQHSA-N 1 0 380.330 4.014 20 0 GIADRO C[C@H](C[C@@H](O)c1ccco1)[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000120886296 823082320 /nfs/dbraw/zinc/08/23/20/823082320.db2.gz PMXFHHUWMWMKEW-DAXOMENPSA-N 1 0 380.282 4.358 20 0 GIADRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)N1CC(c2cccc(Cl)c2)C1)c1ccco1 ZINC000458761390 823082491 /nfs/dbraw/zinc/08/24/91/823082491.db2.gz HMNGPMUHQLLSOQ-KDOFPFPSSA-N 1 0 375.900 4.171 20 0 GIADRO CC[C@@H](C)Oc1cc(C[NH+]2CCC(c3nnc4ccccn43)CC2)ccc1OC ZINC000120895145 823083446 /nfs/dbraw/zinc/08/34/46/823083446.db2.gz PDSIZWZQRMSHOE-QGZVFWFLSA-N 1 0 394.519 4.295 20 0 GIADRO CC(C)Oc1ccc(NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000570765192 823083461 /nfs/dbraw/zinc/08/34/61/823083461.db2.gz WZMKDHNEWFTUDI-LEWJYISDSA-N 1 0 393.531 4.460 20 0 GIADRO Cc1cccc(Br)c1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000570768190 823084370 /nfs/dbraw/zinc/08/43/70/823084370.db2.gz RFKDXMQHJQTKFW-UHFFFAOYSA-N 1 0 387.321 4.283 20 0 GIADRO Clc1ccc(-c2n[nH]cc2C[NH+]2CCC(c3nnc4ccccn43)CC2)cc1 ZINC000120905951 823084758 /nfs/dbraw/zinc/08/47/58/823084758.db2.gz OYUKLIJRDWCBPD-UHFFFAOYSA-N 1 0 392.894 4.152 20 0 GIADRO O=C(Nc1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cc1)C1CC1 ZINC000120905647 823084944 /nfs/dbraw/zinc/08/49/44/823084944.db2.gz CNCIMADFLODREG-NRFANRHFSA-N 1 0 377.488 4.028 20 0 GIADRO Cc1cc([C@H](C)[NH2+]Cc2cccc(N3C(=O)N[C@](C)(C4CC4)C3=O)c2)cs1 ZINC000570773844 823085429 /nfs/dbraw/zinc/08/54/29/823085429.db2.gz VAWZVOHORVLINJ-LHSJRXKWSA-N 1 0 383.517 4.132 20 0 GIADRO COc1ccc2c(c1)CCC[C@H]2N(C)C(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000570774527 823085581 /nfs/dbraw/zinc/08/55/81/823085581.db2.gz FLOUYMYMDBVMLJ-HSZRJFAPSA-N 1 0 393.531 4.151 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(C)cc2-c2nc(C3CC3)no2)[C@H](C)C1 ZINC000120914055 823085978 /nfs/dbraw/zinc/08/59/78/823085978.db2.gz RFJJXHZBQCKTDP-DNVCBOLYSA-N 1 0 397.523 4.116 20 0 GIADRO CC[NH+](CC)CCOc1cc(NC(=O)N(C)[C@@H](C)C2(C)CC2)ccc1OC ZINC000175973715 823086184 /nfs/dbraw/zinc/08/61/84/823086184.db2.gz AOMCEEXIZJSRGG-INIZCTEOSA-N 1 0 377.529 4.068 20 0 GIADRO CC(C)c1oc([C@@H]2CCCN2C(=O)NCC[C@H]2CCC[NH2+]2)nc1-c1ccccc1 ZINC000570785997 823087106 /nfs/dbraw/zinc/08/71/06/823087106.db2.gz QVDUZXGHASSQPD-MOPGFXCFSA-N 1 0 396.535 4.454 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(OCc2cccnc2)cc1)C(=O)NC1CCC(C)CC1 ZINC000056144284 823087516 /nfs/dbraw/zinc/08/75/16/823087516.db2.gz XMJFQDBRFCFZEC-LECRGTDLSA-N 1 0 395.547 4.395 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc(OCc2cccnc2)cc1)C(=O)Nc1ccccc1 ZINC000056144395 823087814 /nfs/dbraw/zinc/08/78/14/823087814.db2.gz BHKRKEUJKRSLRF-QZTJIDSGSA-N 1 0 375.472 4.338 20 0 GIADRO Cc1ncsc1CCNC(=O)Nc1ccccc1-c1ncc2n1CCCC2 ZINC000570796034 823088772 /nfs/dbraw/zinc/08/87/72/823088772.db2.gz HJLBRIDLWDFBDQ-UHFFFAOYSA-N 1 0 381.505 4.016 20 0 GIADRO C[NH+](C)CCc1ccc(C(=O)N2CCC([C@H](F)c3ccccc3F)CC2)cc1 ZINC000570825307 823092321 /nfs/dbraw/zinc/09/23/21/823092321.db2.gz ZARPWCLHBSYFBL-QFIPXVFZSA-N 1 0 386.486 4.493 20 0 GIADRO O=C(c1sc(C2CC2)nc1-c1ccccc1)N1CCC([NH2+]CC2CC2)CC1 ZINC000570799042 823088874 /nfs/dbraw/zinc/08/88/74/823088874.db2.gz CDJPPSDFUSJNLX-UHFFFAOYSA-N 1 0 381.545 4.292 20 0 GIADRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)CC1 ZINC000570800619 823089197 /nfs/dbraw/zinc/08/91/97/823089197.db2.gz URVYGXLLANCVEX-OKZBNKHCSA-N 1 0 381.347 4.334 20 0 GIADRO Cc1nc(COC(C)(C)C)oc1C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000570805503 823089617 /nfs/dbraw/zinc/08/96/17/823089617.db2.gz JBEHZUBFCVKDCM-HSZRJFAPSA-N 1 0 399.535 4.083 20 0 GIADRO CCC(CC)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000056153078 823089898 /nfs/dbraw/zinc/08/98/98/823089898.db2.gz ORBYQFOGWILIMG-IRXDYDNUSA-N 1 0 381.520 4.283 20 0 GIADRO COc1cc(CN[C@@H](C)C[NH+]2CCCCCC2)ccc1OCc1ccncc1 ZINC000187568815 823089889 /nfs/dbraw/zinc/08/98/89/823089889.db2.gz FLRVBWHDXFEMIJ-IBGZPJMESA-N 1 0 383.536 4.023 20 0 GIADRO CCC[N@H+](C)[C@H](CNC(=O)C[C@H](C)n1nc(C)cc1C)c1ccc(Cl)cc1 ZINC000570808609 823090006 /nfs/dbraw/zinc/09/00/06/823090006.db2.gz UKVDJRWOTQVHRV-FXAWDEMLSA-N 1 0 390.959 4.304 20 0 GIADRO COCC[NH2+]C1CCN(C(=O)Nc2cc(-c3ccccc3)ccc2Cl)CC1 ZINC000570809020 823090044 /nfs/dbraw/zinc/09/00/44/823090044.db2.gz GUUREPVUCVXXQK-UHFFFAOYSA-N 1 0 387.911 4.239 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)Nc2cc(F)c(F)cc2F)CC1 ZINC000175990736 823090402 /nfs/dbraw/zinc/09/04/02/823090402.db2.gz GHTZYBMHRLOBIY-UHFFFAOYSA-N 1 0 377.410 4.232 20 0 GIADRO COc1cc(C)c([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc3ncccc32)cc1OC ZINC000056153829 823090379 /nfs/dbraw/zinc/09/03/79/823090379.db2.gz SVAHXYVWYQUIIX-HZPDHXFCSA-N 1 0 393.487 4.238 20 0 GIADRO COc1cc(C)c([C@H](C)[NH2+][C@@H](C)C(=O)NCc2ccccc2Cl)cc1OC ZINC000056153886 823090446 /nfs/dbraw/zinc/09/04/46/823090446.db2.gz PLOPUYOACDSYPI-GJZGRUSLSA-N 1 0 390.911 4.021 20 0 GIADRO C[N@@H+]1CCC[C@@]2(CCN(Cc3ncc(-c4cccc(Br)c4)o3)C2)C1 ZINC000570811619 823090451 /nfs/dbraw/zinc/09/04/51/823090451.db2.gz LMDVLZMYFXRYLI-LJQANCHMSA-N 1 0 390.325 4.022 20 0 GIADRO Cc1c(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)cnn1C1CCCC1 ZINC000120943706 823090623 /nfs/dbraw/zinc/09/06/23/823090623.db2.gz KRRGOBXIRPFQQX-QFIPXVFZSA-N 1 0 380.536 4.182 20 0 GIADRO COc1cc(C)c([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(Cl)c2)cc1OC ZINC000056154183 823090806 /nfs/dbraw/zinc/09/08/06/823090806.db2.gz LOTCCRUSIBBDDD-UONOGXRCSA-N 1 0 376.884 4.343 20 0 GIADRO Cc1cc([C@H](NC(=O)NCC2=CC[NH2+]CC2)c2ccccc2Cl)ccc1F ZINC000570814573 823090835 /nfs/dbraw/zinc/09/08/35/823090835.db2.gz IDZMLEHHFLINJQ-FQEVSTJZSA-N 1 0 387.886 4.096 20 0 GIADRO CC[C@]1(CO)CCC[N@H+](Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000187576060 823091263 /nfs/dbraw/zinc/09/12/63/823091263.db2.gz FSGCJXIAOTYVMF-SFHVURJKSA-N 1 0 379.298 4.089 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CN[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000056156215 823091497 /nfs/dbraw/zinc/09/14/97/823091497.db2.gz KQCXFBJWEKWODA-CYFREDJKSA-N 1 0 391.559 4.171 20 0 GIADRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc(OC(C)C)c2)cc1OC ZINC000056156734 823091617 /nfs/dbraw/zinc/09/16/17/823091617.db2.gz UEUQCAHBMVBFPK-JKSUJKDBSA-N 1 0 386.492 4.169 20 0 GIADRO CCc1cccc(C)c1NC(=O)CNc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000056170250 823094774 /nfs/dbraw/zinc/09/47/74/823094774.db2.gz DIMXVCPGEQPXDT-UHFFFAOYSA-N 1 0 394.563 4.058 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)Nc2c(F)cc(F)cc2F)CC1 ZINC000176021398 823097858 /nfs/dbraw/zinc/09/78/58/823097858.db2.gz RSSPKQGVJPNBDS-UHFFFAOYSA-N 1 0 377.410 4.232 20 0 GIADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)NCC[C@H](c2ccccc2)C(F)(F)F)C1 ZINC000458835207 823095032 /nfs/dbraw/zinc/09/50/32/823095032.db2.gz CPCWASOYDMMFFG-PKOBYXMFSA-N 1 0 397.485 4.096 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@]1(C)C[C@H]1c1ccccc1 ZINC000458835590 823095049 /nfs/dbraw/zinc/09/50/49/823095049.db2.gz UTZYQEBOJGUNLZ-UPVQGACJSA-N 1 0 392.547 4.133 20 0 GIADRO COc1ccc(OC)c(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(OC(C)C)cc2)c1 ZINC000056170542 823095140 /nfs/dbraw/zinc/09/51/40/823095140.db2.gz RJFJCESHXVCFBS-CVEARBPZSA-N 1 0 386.492 4.169 20 0 GIADRO C[C@H](CCc1ccc(O)cc1)NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000120971845 823095286 /nfs/dbraw/zinc/09/52/86/823095286.db2.gz GHRWMAAMIVWODR-KMFTYDHNSA-N 1 0 387.568 4.056 20 0 GIADRO COc1ccc(CC2CCN(C(=O)NC3CC[NH+](C4CCCC4)CC3)CC2)cc1 ZINC000176011422 823095428 /nfs/dbraw/zinc/09/54/28/823095428.db2.gz CWFBRNIIYGQELK-UHFFFAOYSA-N 1 0 399.579 4.066 20 0 GIADRO CC(C)CN(C(=O)NCCCCC[NH+]1CCCC1)[C@@H]1CCCc2cccnc21 ZINC000458838718 823095853 /nfs/dbraw/zinc/09/58/53/823095853.db2.gz CVXWNAUDDLITDK-OAQYLSRUSA-N 1 0 386.584 4.393 20 0 GIADRO O=C(NC1CC[NH+](C2CCCC2)CC1)N1CCn2cccc2[C@@H]1c1ccccc1 ZINC000176022023 823098051 /nfs/dbraw/zinc/09/80/51/823098051.db2.gz DZVFMBBDJSDJJR-QHCPKHFHSA-N 1 0 392.547 4.010 20 0 GIADRO O=C(NCC[C@@H](c1ccccc1)C(F)(F)F)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000458845854 823096717 /nfs/dbraw/zinc/09/67/17/823096717.db2.gz PEFGHOISXXYUHA-MOPGFXCFSA-N 1 0 397.485 4.383 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[C@@H](c2ccccc2)C(F)(F)F)C[C@@H]1C ZINC000458846761 823097074 /nfs/dbraw/zinc/09/70/74/823097074.db2.gz PTXVPTZOEXPVKJ-SZMVWBNQSA-N 1 0 385.474 4.237 20 0 GIADRO O=C(Nc1cc(F)c(F)c(F)c1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000570889913 823102854 /nfs/dbraw/zinc/10/28/54/823102854.db2.gz XYYOMBLCBWNHMF-JKSUJKDBSA-N 1 0 389.421 4.090 20 0 GIADRO CC[C@H]([NH2+]CCCc1nc(-c2ccc(F)cc2)no1)c1ccc(C(=O)OC)cc1 ZINC000570871548 823099751 /nfs/dbraw/zinc/09/97/51/823099751.db2.gz IMRDITVUYGUUJI-IBGZPJMESA-N 1 0 397.450 4.336 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)Nc2ccc3c(c2)C(=O)CCC3)CC1 ZINC000176029214 823099788 /nfs/dbraw/zinc/09/97/88/823099788.db2.gz CTQKHDDIYDERRX-UHFFFAOYSA-N 1 0 391.515 4.334 20 0 GIADRO CSc1ccc([C@@H](CNC(=O)N(C)Cc2sccc2C)[NH+](C)C)cc1 ZINC000458881401 823101030 /nfs/dbraw/zinc/10/10/30/823101030.db2.gz DHBKTARCBNFNAC-QGZVFWFLSA-N 1 0 377.579 4.223 20 0 GIADRO COc1cccc(Oc2ccc(C[NH2+]Cc3c[nH]nc3-c3ccc(C)o3)cn2)c1 ZINC000121008811 823101903 /nfs/dbraw/zinc/10/19/03/823101903.db2.gz FCSYVJIGKZJISJ-UHFFFAOYSA-N 1 0 390.443 4.464 20 0 GIADRO CCO[C@H]1C[C@]([NH3+])(C(=O)NCC(CC)(CC)c2ccc(Cl)cc2)C1(C)C ZINC000187634454 823102445 /nfs/dbraw/zinc/10/24/45/823102445.db2.gz BWQDKWKYTMFEAT-UWJYYQICSA-N 1 0 380.960 4.047 20 0 GIADRO COc1ccc(NC(=O)[C@H]([NH2+]C[C@@H]2CCCOC2)c2ccccc2)cc1Cl ZINC000056205924 823102580 /nfs/dbraw/zinc/10/25/80/823102580.db2.gz LTKSFJPFHCFVGH-MGPUTAFESA-N 1 0 388.895 4.045 20 0 GIADRO CSc1ccc([C@@H](CNC(=O)N2CC(C)(C)[C@H]2c2ccncc2)[NH+](C)C)cc1 ZINC000458901461 823103809 /nfs/dbraw/zinc/10/38/09/823103809.db2.gz RWTDROSIAAPIMN-WOJBJXKFSA-N 1 0 398.576 4.199 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)NC[C@@H]2CSc3ccccc32)CC1 ZINC000458903409 823104095 /nfs/dbraw/zinc/10/40/95/823104095.db2.gz CJGKISHNKDXFBE-LJQANCHMSA-N 1 0 395.572 4.182 20 0 GIADRO CSc1ccc([C@H](CNC(=O)N2C[C@@H](C)C[C@@H]2c2cccnc2)[NH+](C)C)cc1 ZINC000458902641 823104192 /nfs/dbraw/zinc/10/41/92/823104192.db2.gz SUQPMIPSTWIPRQ-DQLDELGASA-N 1 0 398.576 4.199 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000121020863 823104143 /nfs/dbraw/zinc/10/41/43/823104143.db2.gz BQBKOHXRVIIIOM-QGZVFWFLSA-N 1 0 396.922 4.486 20 0 GIADRO C[C@H](NC(=O)N(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)c1cccc(C2CC2)c1 ZINC000458902746 823104223 /nfs/dbraw/zinc/10/42/23/823104223.db2.gz LKHZOPLFKZXRGJ-RTFZILSDSA-N 1 0 392.547 4.354 20 0 GIADRO C[C@H](Nc1ccc(CC[NH+]2CCCCC2)cc1)C(=O)Nc1ccc(F)cc1F ZINC000056216171 823105219 /nfs/dbraw/zinc/10/52/19/823105219.db2.gz NAOFDHXCYXDLCP-INIZCTEOSA-N 1 0 387.474 4.432 20 0 GIADRO CCCCOC1CCN(C(=O)NC[C@H](c2ccc(SC)cc2)[NH+](C)C)CC1 ZINC000458912310 823105232 /nfs/dbraw/zinc/10/52/32/823105232.db2.gz ZWKDYICZBRGHLN-HXUWFJFHSA-N 1 0 393.597 4.002 20 0 GIADRO O=C(NC1CC1)[C@@H](Nc1ccc(CC[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000056216187 823105271 /nfs/dbraw/zinc/10/52/71/823105271.db2.gz XKUGZRFLMREYIB-QHCPKHFHSA-N 1 0 377.532 4.147 20 0 GIADRO COc1ccccc1NC(=O)[C@H](C)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000056216192 823105636 /nfs/dbraw/zinc/10/56/36/823105636.db2.gz ONFBCLQBLAASQA-SFHVURJKSA-N 1 0 381.520 4.163 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)NC[C@@H]2CSc3ccccc32)CC1 ZINC000458915037 823105698 /nfs/dbraw/zinc/10/56/98/823105698.db2.gz MVLKGCHJOJPKTN-GOSISDBHSA-N 1 0 375.582 4.029 20 0 GIADRO CC(=O)c1cccc(NC(=O)CS[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000570928175 823108684 /nfs/dbraw/zinc/10/86/84/823108684.db2.gz UXCIIGGFZKSVQY-NRFANRHFSA-N 1 0 382.529 4.226 20 0 GIADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC000570930653 823108774 /nfs/dbraw/zinc/10/87/74/823108774.db2.gz DAJHXOHYQQMMEK-UIFIKXQLSA-N 1 0 392.971 4.276 20 0 GIADRO C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+]C1CCC2(CC1)C(=O)Nc1ccccc12 ZINC000121049908 823109051 /nfs/dbraw/zinc/10/90/51/823109051.db2.gz XJYKTUVABCNDSX-ZYRATVBQSA-N 1 0 382.479 4.060 20 0 GIADRO CCCCC[C@@H](NC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C)c1ccccc1 ZINC000176060238 823109456 /nfs/dbraw/zinc/10/94/56/823109456.db2.gz PSPZKJMALGSHAP-HXUWFJFHSA-N 1 0 396.535 4.290 20 0 GIADRO CSc1nc(C(F)F)cc(N2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1 ZINC000570942886 823109940 /nfs/dbraw/zinc/10/99/40/823109940.db2.gz WRAUIPSAGHWQAU-UHFFFAOYSA-N 1 0 392.519 4.485 20 0 GIADRO Cn1cc(C[N@@H+]2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)c(C(C)(C)C)n1 ZINC000570973021 823113825 /nfs/dbraw/zinc/11/38/25/823113825.db2.gz XRMLDSYZOKNJOY-KRWDZBQOSA-N 1 0 384.572 4.263 20 0 GIADRO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1ccc(NC(=O)C(C)C)cc1 ZINC000121058034 823110551 /nfs/dbraw/zinc/11/05/51/823110551.db2.gz OWOOEMASIGAIIB-UNMCSNQZSA-N 1 0 391.515 4.038 20 0 GIADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)N[C@@H](c2ccc(F)c(Cl)c2)C2CC2)C1 ZINC000458976037 823112381 /nfs/dbraw/zinc/11/23/81/823112381.db2.gz BDJRLLBLNIQOID-FOIQADDNSA-N 1 0 393.934 4.304 20 0 GIADRO COc1cccc([C@H](CN[C@@H](c2ncc[nH]2)c2ccc(F)cc2)[NH+]2CCCC2)c1 ZINC000187690903 823113667 /nfs/dbraw/zinc/11/36/67/823113667.db2.gz CTCQOKDFTIHPJE-FCHUYYIVSA-N 1 0 394.494 4.074 20 0 GIADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N[C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC000121081866 823114965 /nfs/dbraw/zinc/11/49/65/823114965.db2.gz DMFZMFHDYJSHRY-IFXJQAMLSA-N 1 0 389.952 4.274 20 0 GIADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N[C@H](c1cccs1)c1ccc(Cl)cc1 ZINC000121081998 823115127 /nfs/dbraw/zinc/11/51/27/823115127.db2.gz DMFZMFHDYJSHRY-LIRRHRJNSA-N 1 0 389.952 4.274 20 0 GIADRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1c(C)nc(-c2ccco2)nc1SC ZINC000176083850 823115159 /nfs/dbraw/zinc/11/51/59/823115159.db2.gz PUGVSWYTMLHGIJ-AWEZNQCLSA-N 1 0 390.553 4.007 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1cnccc1C(F)(F)F ZINC000570983630 823115642 /nfs/dbraw/zinc/11/56/42/823115642.db2.gz OITAQRXBSPXYQW-UHFFFAOYSA-N 1 0 397.828 4.148 20 0 GIADRO O=C(C/C=C/c1cccc(F)c1)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000121086089 823115738 /nfs/dbraw/zinc/11/57/38/823115738.db2.gz FUDQQSXTXCNTKZ-HWKANZROSA-N 1 0 382.479 4.072 20 0 GIADRO O=C(N[C@@H](c1ccc(F)c(Cl)c1)C1CC1)N1CCC([NH+]2CCCC2)CC1 ZINC000459009779 823116136 /nfs/dbraw/zinc/11/61/36/823116136.db2.gz MQEJEGUVOYLYLS-LJQANCHMSA-N 1 0 379.907 4.200 20 0 GIADRO COc1cc2c(cc1F)[nH+]ccc2N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000570993159 823116883 /nfs/dbraw/zinc/11/68/83/823116883.db2.gz LLBHMSKBFDKNTQ-HMFYCAOWSA-N 1 0 378.447 4.391 20 0 GIADRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)C[C@@H]2CCCCO2)CC1 ZINC000176090834 823117495 /nfs/dbraw/zinc/11/74/95/823117495.db2.gz BGSJIDSYAUUQNX-IBGZPJMESA-N 1 0 398.469 4.087 20 0 GIADRO COc1ccccc1COC[C@@H](O)C[N@H+](C)[C@H](C)c1sc(C(C)C)nc1C ZINC000121098108 823117817 /nfs/dbraw/zinc/11/78/17/823117817.db2.gz CCRPTXSCEWGFHU-AEFFLSMTSA-N 1 0 392.565 4.154 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CCCC2(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000459023917 823118369 /nfs/dbraw/zinc/11/83/69/823118369.db2.gz KPENMRGEBGQNLV-BHIYHBOVSA-N 1 0 379.495 4.116 20 0 GIADRO C[C@H]([NH2+]CC1CCN(CC(F)(F)F)CC1)c1ccc(Br)cc1 ZINC000187713328 823118483 /nfs/dbraw/zinc/11/84/83/823118483.db2.gz RGBBIYXPVJUUSI-LBPRGKRZSA-N 1 0 379.264 4.374 20 0 GIADRO CC[C@H]([NH2+][C@@H]1CCc2c1cc(F)cc2F)c1ccccc1OCC(=O)N(C)C ZINC000121103036 823119093 /nfs/dbraw/zinc/11/90/93/823119093.db2.gz ZIIDVYHCGPSKIT-VQTJNVASSA-N 1 0 388.458 4.160 20 0 GIADRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1CCO[C@@H](c2cccs2)C1 ZINC000459076871 823124529 /nfs/dbraw/zinc/12/45/29/823124529.db2.gz PYFFZSZNCLRMHO-CADBVGFASA-N 1 0 393.597 4.168 20 0 GIADRO COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)CC(=O)N(Cc1ccc(C)o1)C1CC1 ZINC000571033262 823122817 /nfs/dbraw/zinc/12/28/17/823122817.db2.gz JZPNRBYKCNVUIU-QFIPXVFZSA-N 1 0 382.504 4.097 20 0 GIADRO C[C@]1(c2ccccc2)CC[C@@H]([NH2+]C2CCN(CC(=O)Nc3ccccc3)CC2)C1 ZINC000187741161 823122896 /nfs/dbraw/zinc/12/28/96/823122896.db2.gz YWZXJOBKWKZPCK-NOZRDPDXSA-N 1 0 391.559 4.190 20 0 GIADRO CCCn1ncc(NC(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1C1CC1 ZINC000571038675 823123826 /nfs/dbraw/zinc/12/38/26/823123826.db2.gz CQEQTGWDEFTCTN-GOSISDBHSA-N 1 0 387.572 4.146 20 0 GIADRO COc1cc(-c2ccccc2)sc1C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000571047171 823124827 /nfs/dbraw/zinc/12/48/27/823124827.db2.gz XBJBZMOZPDSROZ-HXUWFJFHSA-N 1 0 384.545 4.274 20 0 GIADRO COc1ccc(-c2cc(C(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)sc2C)cc1 ZINC000121159873 823129841 /nfs/dbraw/zinc/12/98/41/823129841.db2.gz QPIQCPGLVDEWPC-GOSISDBHSA-N 1 0 384.545 4.433 20 0 GIADRO C[C@H]1C[C@@H](NC(=O)Cc2ccc(C(F)(F)F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000176117626 823126113 /nfs/dbraw/zinc/12/61/13/823126113.db2.gz NOBUOMUDXSGIGG-JXFKEZNVSA-N 1 0 390.449 4.417 20 0 GIADRO C[C@@H](NC(=O)NC[C@@H]1[NH2+]CCc2ccccc21)c1nc(-c2ccccc2)cs1 ZINC000571058850 823126216 /nfs/dbraw/zinc/12/62/16/823126216.db2.gz ZZCANXLPHHARMY-BEFAXECRSA-N 1 0 392.528 4.057 20 0 GIADRO CC[C@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(Cl)cc1 ZINC000121144344 823126527 /nfs/dbraw/zinc/12/65/27/823126527.db2.gz OYKNQOCCJKFLFR-KUHUBIRLSA-N 1 0 380.941 4.392 20 0 GIADRO CCN(C(=O)NCc1cnc(C)cc1C)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000459090433 823126529 /nfs/dbraw/zinc/12/65/29/823126529.db2.gz ZJYXXVFVQLYPQN-KNQAVFIVSA-N 1 0 380.536 4.065 20 0 GIADRO C[C@@H](Cc1ccccc1F)[NH2+]C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000187772122 823129980 /nfs/dbraw/zinc/12/99/80/823129980.db2.gz GDLMASBNGALTAQ-AWEZNQCLSA-N 1 0 381.417 4.429 20 0 GIADRO COc1ccc([C@H]2CCCCCN2C(=O)NC2CC[NH+](C3CCC3)CC2)cc1 ZINC000459093233 823127123 /nfs/dbraw/zinc/12/71/23/823127123.db2.gz GCYGSTYWYJXHPN-JOCHJYFZSA-N 1 0 385.552 4.339 20 0 GIADRO Cc1nc(CCCC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cs1 ZINC000176121810 823127342 /nfs/dbraw/zinc/12/73/42/823127342.db2.gz OAKCDTKENPWUGA-UHFFFAOYSA-N 1 0 385.577 4.145 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)N1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 ZINC000459095133 823127474 /nfs/dbraw/zinc/12/74/74/823127474.db2.gz HOPSDVXCVJLTOH-DNVJHFABSA-N 1 0 381.564 4.371 20 0 GIADRO CCC(CC)n1nc(C(=O)N(Cc2ccncc2)C[C@@H]2CCC[N@@H+]2CC)cc1C ZINC000571071918 823128140 /nfs/dbraw/zinc/12/81/40/823128140.db2.gz UEFCUKLTZYQUFL-NRFANRHFSA-N 1 0 397.567 4.074 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1ccc2c(c1)NC(=O)CCS2 ZINC000056326752 823128570 /nfs/dbraw/zinc/12/85/70/823128570.db2.gz LDOXKXCAOBOHIH-UHFFFAOYSA-N 1 0 395.528 4.012 20 0 GIADRO COc1cccc(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)c1OC(F)F ZINC000056326464 823128579 /nfs/dbraw/zinc/12/85/79/823128579.db2.gz BSHAQMZEMJVYSL-UHFFFAOYSA-N 1 0 390.430 4.187 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)Cc2csc(C(C)(C)C)n2)CC[N@@H+]1Cc1ccccc1 ZINC000176124761 823128918 /nfs/dbraw/zinc/12/89/18/823128918.db2.gz NLXOXFZDYZVLTC-SJLPKXTDSA-N 1 0 385.577 4.152 20 0 GIADRO C[C@@H](SCC1CC[NH2+]CC1)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000571080195 823129111 /nfs/dbraw/zinc/12/91/11/823129111.db2.gz OXUYQYOAFGUXFZ-GFCCVEGCSA-N 1 0 379.526 4.009 20 0 GIADRO Cc1nc(-c2ccccc2Br)sc1[C@H](C)NC(=O)CCCC[NH3+] ZINC000571082894 823129520 /nfs/dbraw/zinc/12/95/20/823129520.db2.gz WMVUBKSGTWNSJW-NSHDSACASA-N 1 0 396.354 4.187 20 0 GIADRO CCN(C(=O)NC1CC[NH+](C2CCC2)CC1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000459114327 823129810 /nfs/dbraw/zinc/12/98/10/823129810.db2.gz SSXZEDUTBKYWGE-QFIPXVFZSA-N 1 0 389.559 4.441 20 0 GIADRO C[C@H]1C[C@H](NC(=O)c2cc(F)c(F)c(F)c2F)CC[N@@H+]1Cc1ccccc1 ZINC000176127880 823130428 /nfs/dbraw/zinc/13/04/28/823130428.db2.gz QPDAEHPMGXJDFN-GXTWGEPZSA-N 1 0 380.385 4.026 20 0 GIADRO Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000121164027 823130447 /nfs/dbraw/zinc/13/04/47/823130447.db2.gz AGZQDYMHSSOXPC-QGZVFWFLSA-N 1 0 396.535 4.345 20 0 GIADRO COc1cc(C[N@H+](Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)ccc1OC(C)C ZINC000571091253 823130772 /nfs/dbraw/zinc/13/07/72/823130772.db2.gz PWKLXAUGBYNDRS-RBUKOAKNSA-N 1 0 387.545 4.483 20 0 GIADRO COc1ccc(Cl)cc1CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000176131722 823131617 /nfs/dbraw/zinc/13/16/17/823131617.db2.gz CBVJHDDZNWHBHV-UZLBHIALSA-N 1 0 386.923 4.060 20 0 GIADRO C[N@H+](CCCCNC(=O)N1CCc2ccccc2[C@@H]1c1ccccc1)C1CC1 ZINC000459134728 823133189 /nfs/dbraw/zinc/13/31/89/823133189.db2.gz DMQJZBZDBYJCTM-QHCPKHFHSA-N 1 0 377.532 4.218 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1Cc1nnc(-c2ccccc2Cl)o1 ZINC000121179775 823133290 /nfs/dbraw/zinc/13/32/90/823133290.db2.gz VIKMQWIFOJWMFA-MRXNPFEDSA-N 1 0 382.895 4.096 20 0 GIADRO C[C@@H](NC(=O)NC[C@@H](c1cccs1)[NH+](C)C)c1cccc(N2CCCC2)c1 ZINC000176147144 823135576 /nfs/dbraw/zinc/13/55/76/823135576.db2.gz HUSQAAFOUCAQTG-APWZRJJASA-N 1 0 386.565 4.011 20 0 GIADRO C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N(C)CCC[N@H+](C)Cc1ccco1 ZINC000571112402 823133899 /nfs/dbraw/zinc/13/38/99/823133899.db2.gz XSQUBOQDOFWXHQ-AWEZNQCLSA-N 1 0 398.334 4.367 20 0 GIADRO CCOc1cc(CN[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)cc(Br)c1O ZINC000571111872 823133914 /nfs/dbraw/zinc/13/39/14/823133914.db2.gz BNDUHTLMAAQARA-SOUVJXGZSA-N 1 0 399.373 4.009 20 0 GIADRO C[C@@H](CC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)c1ccc(F)cc1 ZINC000571112129 823133921 /nfs/dbraw/zinc/13/39/21/823133921.db2.gz NYZLEAGQAVSABH-CYFREDJKSA-N 1 0 380.507 4.444 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)NCCC2CC(F)(F)C2)CC[N@@H+]1Cc1ccccc1 ZINC000459146940 823135055 /nfs/dbraw/zinc/13/50/55/823135055.db2.gz YDXVXUPJULQQNA-QFBILLFUSA-N 1 0 379.495 4.116 20 0 GIADRO C[N@H+](CCCCNC(=O)N1CCc2sccc2[C@H]1c1cccs1)C1CC1 ZINC000459149699 823135309 /nfs/dbraw/zinc/13/53/09/823135309.db2.gz HAQPMGOHVSFBAZ-IBGZPJMESA-N 1 0 389.590 4.341 20 0 GIADRO C[N@H+](CCCCNC(=O)NC1(c2cccc(C(F)(F)F)c2)CCC1)C1CC1 ZINC000459163547 823136700 /nfs/dbraw/zinc/13/67/00/823136700.db2.gz QNMSUTOPJRISCZ-UHFFFAOYSA-N 1 0 383.458 4.258 20 0 GIADRO C[C@H](c1cc(F)ccc1F)N(C)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000056360379 823135901 /nfs/dbraw/zinc/13/59/01/823135901.db2.gz IPOCMQBUBIZTPV-RDTXWAMCSA-N 1 0 377.435 4.097 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)Cc1c[nH]c2ccc(OC)cc12 ZINC000121193768 823136044 /nfs/dbraw/zinc/13/60/44/823136044.db2.gz HNYFBKJBMLAXPH-UHFFFAOYSA-N 1 0 395.503 4.078 20 0 GIADRO CCOc1cc(C[NH2+]C2CCN(C)CC2)ccc1OCCOc1cccc(C)c1 ZINC000121194135 823136097 /nfs/dbraw/zinc/13/60/97/823136097.db2.gz QFKQTQXUQCTXIB-UHFFFAOYSA-N 1 0 398.547 4.035 20 0 GIADRO Fc1ccc([C@@H](C[NH2+]C2CC(c3cc(F)cc(F)c3)C2)N2CCOCC2)cc1 ZINC000571125718 823136858 /nfs/dbraw/zinc/13/68/58/823136858.db2.gz GOXUWYVZQAMWJH-JHJOLFGTSA-N 1 0 390.449 4.013 20 0 GIADRO CC[C@H](C)[N@H+](CCCc1cccc(OC)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000121208444 823138872 /nfs/dbraw/zinc/13/88/72/823138872.db2.gz OIEADURCKRBUSW-KRWDZBQOSA-N 1 0 379.504 4.165 20 0 GIADRO C[C@@H]1CCC[C@H](C)N1C(=O)C[NH2+]C1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000571133115 823138672 /nfs/dbraw/zinc/13/86/72/823138672.db2.gz MIWJKTGUFQEOMJ-IYBDPMFKSA-N 1 0 398.469 4.090 20 0 GIADRO O=C(C[NH2+]C1(Cc2ccccc2)CCOCC1)Nc1cccc(Cl)c1Cl ZINC000571136203 823139461 /nfs/dbraw/zinc/13/94/61/823139461.db2.gz YPPHKNBRUZHRHI-UHFFFAOYSA-N 1 0 393.314 4.313 20 0 GIADRO COc1ccc([C@@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c2ccco2)cc1 ZINC000459186651 823140313 /nfs/dbraw/zinc/14/03/13/823140313.db2.gz CAFNQFAVBMIDSN-XQBPLPMBSA-N 1 0 397.519 4.034 20 0 GIADRO c1cc([C@H]2CCC[N@@H+](Cc3cn(-c4ccccc4)nc3-c3ccncc3)C2)n[nH]1 ZINC000121222614 823141588 /nfs/dbraw/zinc/14/15/88/823141588.db2.gz IXINHIWTTMTIOF-IBGZPJMESA-N 1 0 384.487 4.037 20 0 GIADRO C[C@H](NC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)c1ncc(-c2ccccc2)o1 ZINC000121221567 823141605 /nfs/dbraw/zinc/14/16/05/823141605.db2.gz RNOWYOQQNQNCDW-HKUYNNGSSA-N 1 0 382.508 4.063 20 0 GIADRO C[C@@H]([NH2+]C[C@H]1CS(=O)(=O)c2ccccc21)c1nc(-c2ccccc2)cs1 ZINC000571156742 823141885 /nfs/dbraw/zinc/14/18/85/823141885.db2.gz USIAZPKWKKXSIZ-ZBFHGGJFSA-N 1 0 384.526 4.032 20 0 GIADRO CCOc1ccccc1CN(C)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000056394827 823142179 /nfs/dbraw/zinc/14/21/79/823142179.db2.gz VCTMGXLINNXMKJ-UHFFFAOYSA-N 1 0 381.520 4.023 20 0 GIADRO O=C(NCc1ccc2c[nH+]cn2c1)N1CCC([C@H](F)c2ccccc2F)CC1 ZINC000459200860 823142857 /nfs/dbraw/zinc/14/28/57/823142857.db2.gz QTOQYCXLQOMWPO-FQEVSTJZSA-N 1 0 384.430 4.106 20 0 GIADRO C[C@H]([NH3+])C[C@H](C)NC(=O)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1 ZINC000571165356 823143268 /nfs/dbraw/zinc/14/32/68/823143268.db2.gz ZCVBEBODXWUYJR-QWRGUYRKSA-N 1 0 386.443 4.000 20 0 GIADRO Cc1ncc(CN(C)C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)s1 ZINC000056401513 823143695 /nfs/dbraw/zinc/14/36/95/823143695.db2.gz KBCZGVKZJMCGQY-UHFFFAOYSA-N 1 0 386.565 4.025 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCCOc2ccccc21 ZINC000176171517 823143933 /nfs/dbraw/zinc/14/39/33/823143933.db2.gz OELMCKHBCZCDJN-RBBKRZOGSA-N 1 0 393.531 4.064 20 0 GIADRO CC(C)(Cc1ccc(C(F)(F)F)cc1)NC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000571180986 823144906 /nfs/dbraw/zinc/14/49/06/823144906.db2.gz SQFBOFSFISZABV-UHFFFAOYSA-N 1 0 377.410 4.451 20 0 GIADRO CN(Cc1cccc(C(F)(F)F)c1)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000056381818 823140530 /nfs/dbraw/zinc/14/05/30/823140530.db2.gz QMSUHGRAFVHABB-UHFFFAOYSA-N 1 0 379.426 4.109 20 0 GIADRO CC(=O)Nc1ccc2c(C[N@@H+]3CCCCC[C@H]3c3ccco3)cc(=O)oc2c1 ZINC000121216670 823140703 /nfs/dbraw/zinc/14/07/03/823140703.db2.gz NGXNDLWSLHIXOW-IBGZPJMESA-N 1 0 380.444 4.462 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)NCCCc2cccc(F)c2)CC1 ZINC000176181077 823146589 /nfs/dbraw/zinc/14/65/89/823146589.db2.gz JADKAIUNEHVFNO-UHFFFAOYSA-N 1 0 383.511 4.064 20 0 GIADRO O=C(NC1CCC(c2ccccc2)CC1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000056421751 823147417 /nfs/dbraw/zinc/14/74/17/823147417.db2.gz WNZRECVKMRABKS-UHFFFAOYSA-N 1 0 392.547 4.072 20 0 GIADRO CCN(C(=O)N[C@H](C)CCCc1cccnc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459225152 823147845 /nfs/dbraw/zinc/14/78/45/823147845.db2.gz XBZWBWCMKKQAFN-OFNKIYASSA-N 1 0 394.563 4.099 20 0 GIADRO CN(C)C(=O)c1ccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1Cl ZINC000056436552 823148576 /nfs/dbraw/zinc/14/85/76/823148576.db2.gz XLRFFZRZIRWBMR-UHFFFAOYSA-N 1 0 399.922 4.280 20 0 GIADRO CN1CC[C@@H]([NH2+]Cc2nc3cc(Cl)ccc3n2C)[C@H]1c1ccc(Cl)cc1 ZINC000571211094 823149332 /nfs/dbraw/zinc/14/93/32/823149332.db2.gz ACEPBPLBZUDMBF-OXQOHEQNSA-N 1 0 389.330 4.415 20 0 GIADRO O=C(N[C@@H](c1ccccc1)C1CC1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000056441554 823149765 /nfs/dbraw/zinc/14/97/65/823149765.db2.gz RQRGZLBVLZXYQT-QFIPXVFZSA-N 1 0 381.495 4.241 20 0 GIADRO C[C@H](CCCc1cccnc1)NC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000459244202 823150768 /nfs/dbraw/zinc/15/07/68/823150768.db2.gz MTLOILYSHGNJFS-SJBKTWHCSA-N 1 0 386.584 4.089 20 0 GIADRO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CCC1C[C@@H](C)O[C@H](C)C1 ZINC000571228714 823152239 /nfs/dbraw/zinc/15/22/39/823152239.db2.gz PCNZOZYUTPCDNX-BRWVUGGUSA-N 1 0 380.960 4.260 20 0 GIADRO O=C(Nc1ccc(C(=O)N2CCC([NH+]3CCCC3)CC2)s1)Nc1ccccc1 ZINC000176204988 823152306 /nfs/dbraw/zinc/15/23/06/823152306.db2.gz BCAVAJXXCCUPGO-UHFFFAOYSA-N 1 0 398.532 4.093 20 0 GIADRO Cc1ccc(CCN(Cc2ccco2)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000459262380 823153403 /nfs/dbraw/zinc/15/34/03/823153403.db2.gz LSGQRXFJYITJPN-NRFANRHFSA-N 1 0 383.536 4.074 20 0 GIADRO Cn1cc(CCC(=O)NCc2ccccc2C[NH+]2CCCC2)c2ccccc21 ZINC000176209951 823153492 /nfs/dbraw/zinc/15/34/92/823153492.db2.gz VXCDCBFQLGTUSG-UHFFFAOYSA-N 1 0 375.516 4.023 20 0 GIADRO CC(C)C[N@@H+](Cc1nccn1Cc1ccccc1)C[C@H](O)c1ccc(F)cc1 ZINC000121278773 823153730 /nfs/dbraw/zinc/15/37/30/823153730.db2.gz DOIRRRBTQHGWCS-QFIPXVFZSA-N 1 0 381.495 4.262 20 0 GIADRO FC(F)(F)c1ccc(Br)c(CNC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000571248747 823155364 /nfs/dbraw/zinc/15/53/64/823155364.db2.gz UBWPJYNVFHVAFD-NSHDSACASA-N 1 0 377.248 4.042 20 0 GIADRO O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)N[C@H](c1cccnc1)C1CC1 ZINC000571254139 823156567 /nfs/dbraw/zinc/15/65/67/823156567.db2.gz YRGSMZIUPMKVOF-OFNKIYASSA-N 1 0 392.547 4.134 20 0 GIADRO C[C@H]([NH2+]C1CCN(Cc2ccsc2)CC1)c1cccc(N2CCOC2=O)c1 ZINC000121287026 823155392 /nfs/dbraw/zinc/15/53/92/823155392.db2.gz NBVVUVCCGLGZKT-INIZCTEOSA-N 1 0 385.533 4.020 20 0 GIADRO C[NH+](C)CCCOc1ccc(CNC(=O)c2c(Cl)cccc2Cl)cc1 ZINC000176221150 823155823 /nfs/dbraw/zinc/15/58/23/823155823.db2.gz RJXQJMSMRPXMQB-UHFFFAOYSA-N 1 0 381.303 4.254 20 0 GIADRO CC[N@H+](CCc1cncn1C)Cc1ccc(OCc2cccs2)c(OC)c1 ZINC000459303554 823158516 /nfs/dbraw/zinc/15/85/16/823158516.db2.gz LDOPLDXASJAZAY-UHFFFAOYSA-N 1 0 385.533 4.134 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)N([C@H](C)c1ccco1)C1CC1)[NH+]1CCCC1 ZINC000121300922 823158691 /nfs/dbraw/zinc/15/86/91/823158691.db2.gz AOCBPKCJORDGPR-YLJYHZDGSA-N 1 0 397.519 4.360 20 0 GIADRO CC(=O)NCC1CC[NH+](C/C=C/c2ccc(OCc3ccccc3)cc2)CC1 ZINC000459321874 823161322 /nfs/dbraw/zinc/16/13/22/823161322.db2.gz HPRXRWSZUDVHEC-VMPITWQZSA-N 1 0 378.516 4.127 20 0 GIADRO Cc1ccc(CNC(=O)C2CC[NH+](C[C@@H]3C[C@H]3c3ccccc3)CC2)cc1F ZINC000459304059 823159074 /nfs/dbraw/zinc/15/90/74/823159074.db2.gz OUWUCPZXRLUBKI-VXKWHMMOSA-N 1 0 380.507 4.266 20 0 GIADRO CC(=O)N[C@@H](C)C1CC[NH+](CC(Cc2ccccc2)Cc2ccccc2)CC1 ZINC000571273638 823159150 /nfs/dbraw/zinc/15/91/50/823159150.db2.gz PLDBWSJKNPLGFP-FQEVSTJZSA-N 1 0 378.560 4.325 20 0 GIADRO C[C@H](C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(Cl)s1 ZINC000176234036 823159276 /nfs/dbraw/zinc/15/92/76/823159276.db2.gz CPYFLWCTRBGOHX-DOTOQJQBSA-N 1 0 376.953 4.186 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)NCC(C)(F)F)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000571279081 823160017 /nfs/dbraw/zinc/16/00/17/823160017.db2.gz XDURUAOOOQFQBQ-HIFRSBDPSA-N 1 0 393.400 4.043 20 0 GIADRO C[N@@H+]1CCC[C@@H](CCNC(=O)N2CCC(F)(c3cccc(Cl)c3)CC2)C1 ZINC000459311261 823160078 /nfs/dbraw/zinc/16/00/78/823160078.db2.gz NOJBFIYTMPUBOF-INIZCTEOSA-N 1 0 381.923 4.042 20 0 GIADRO CC[C@@H]([NH2+][C@H]1CCc2nc(C)nn2C1)c1ccc(Br)cc1Cl ZINC000187934126 823160162 /nfs/dbraw/zinc/16/01/62/823160162.db2.gz ILXLQNXPHLUFNA-SWLSCSKDSA-N 1 0 383.721 4.058 20 0 GIADRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](c1ccc(Br)cc1Cl)C1CC1)CC2 ZINC000187934878 823160484 /nfs/dbraw/zinc/16/04/84/823160484.db2.gz LRPWFYKWGSCRRM-DYVFJYSZSA-N 1 0 395.732 4.058 20 0 GIADRO CC(=O)NCCC[NH2+][C@H](C)c1ccc(-c2ccccc2Br)s1 ZINC000121311481 823160789 /nfs/dbraw/zinc/16/07/89/823160789.db2.gz OPBSSEYAHLXFBC-GFCCVEGCSA-N 1 0 381.339 4.354 20 0 GIADRO C[C@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000459320197 823160992 /nfs/dbraw/zinc/16/09/92/823160992.db2.gz RYSMRPYGOOVUNL-HZPDHXFCSA-N 1 0 385.474 4.010 20 0 GIADRO Cc1cc(Br)c2ccccc2c1NC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000571295782 823161731 /nfs/dbraw/zinc/16/17/31/823161731.db2.gz BVLIMADRUQOJBT-ZDUSSCGKSA-N 1 0 376.298 4.113 20 0 GIADRO COc1ccc(NC(=O)Nc2cccc(OCC[NH+](C)C)c2)cc1SC ZINC000459343500 823166149 /nfs/dbraw/zinc/16/61/49/823166149.db2.gz HNWUWSKOHYWHAG-UHFFFAOYSA-N 1 0 375.494 4.002 20 0 GIADRO CN1CC[C@H](NC(=O)Cc2cc(-c3ccccc3)on2)[C@@H]1c1ccc(Cl)cc1 ZINC000121337743 823165575 /nfs/dbraw/zinc/16/55/75/823165575.db2.gz QQMZFZBVKAAVJO-UGKGYDQZSA-N 1 0 395.890 4.099 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1C[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000459346622 823167053 /nfs/dbraw/zinc/16/70/53/823167053.db2.gz UGWYCEGNZANQLD-GOSISDBHSA-N 1 0 389.565 4.132 20 0 GIADRO c1c(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459349439 823167836 /nfs/dbraw/zinc/16/78/36/823167836.db2.gz XKCPWQANMBSAKM-LJQANCHMSA-N 1 0 380.536 4.309 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)N[C@@H]3CCc4cc(F)ccc43)c(C)c2)CC1 ZINC000056554089 823168265 /nfs/dbraw/zinc/16/82/65/823168265.db2.gz RWPUXRUGMIQOFH-JOCHJYFZSA-N 1 0 396.510 4.085 20 0 GIADRO Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)CC[N@@H+]1CCCC[C@H]1C ZINC000571348535 823168996 /nfs/dbraw/zinc/16/89/96/823168996.db2.gz ZKHITCUWYKLOOL-QWFCFKBJSA-N 1 0 399.579 4.316 20 0 GIADRO COc1cccc2c1CC[C@H]2NC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000121354925 823169170 /nfs/dbraw/zinc/16/91/70/823169170.db2.gz TXLXGHACSLNXGU-VGOFRKELSA-N 1 0 393.531 4.207 20 0 GIADRO O=C(CC[NH2+][C@@H]1CCOc2ccc(F)cc21)Nc1ccc(Br)cc1 ZINC000571349196 823169191 /nfs/dbraw/zinc/16/91/91/823169191.db2.gz LJVXALNFYKFXFD-MRXNPFEDSA-N 1 0 393.256 4.030 20 0 GIADRO Cc1cc(C)c(NC(=O)[C@H](C)[NH2+][C@H]2CCN(C)[C@@H]2c2ccccc2)c(Cl)c1 ZINC000571365693 823171837 /nfs/dbraw/zinc/17/18/37/823171837.db2.gz RBKCPZUBUDOIRO-NBHGPNQESA-N 1 0 385.939 4.319 20 0 GIADRO COc1ccc(-c2ccccc2C)cc1C[N@@H+]1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000459361665 823171895 /nfs/dbraw/zinc/17/18/95/823171895.db2.gz PNIZDPQSRIDTBC-DENIHFKCSA-N 1 0 378.516 4.161 20 0 GIADRO CNC(=O)CC1CC[NH+](C/C=C/c2ccc(OCc3ccccc3)cc2)CC1 ZINC000459356110 823170230 /nfs/dbraw/zinc/17/02/30/823170230.db2.gz ZSXZSVWHWIJVHT-VMPITWQZSA-N 1 0 378.516 4.127 20 0 GIADRO COc1ccc2cc(C[NH+]3CCC(C(=O)Nc4ccccc4O)CC3)ccc2c1 ZINC000121367799 823171520 /nfs/dbraw/zinc/17/15/20/823171520.db2.gz BXLOZOJGYNAGHB-UHFFFAOYSA-N 1 0 390.483 4.405 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(NC(=O)c3cccc(F)c3)c2)[C@@H]1SC ZINC000459378303 823177238 /nfs/dbraw/zinc/17/72/38/823177238.db2.gz VXGFNYCBAVBVSC-ZCNNSNEGSA-N 1 0 388.508 4.077 20 0 GIADRO Cc1ccc(-n2ncc(NC(=O)N3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)c2C(C)C)cc1 ZINC000571377041 823174575 /nfs/dbraw/zinc/17/45/75/823174575.db2.gz WVNZQRRFQRLJBZ-RXVVDRJESA-N 1 0 395.551 4.252 20 0 GIADRO CCO[C@H](C)c1nc(CN2CC[NH+](C[C@@H]3C[C@H]3c3ccccc3)CC2)cs1 ZINC000459371368 823175102 /nfs/dbraw/zinc/17/51/02/823175102.db2.gz JOCQFRIIEVOGGU-LMNJBCLMSA-N 1 0 385.577 4.162 20 0 GIADRO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CC[C@@]3(CCOC3)C2)cc1 ZINC000176295489 823175296 /nfs/dbraw/zinc/17/52/96/823175296.db2.gz HIATXCJMUHQRNL-XMMPIXPASA-N 1 0 389.499 4.160 20 0 GIADRO c1cc2c(s1)CCN([C@H](C[NH2+]Cc1cnc(C3CC3)nc1)c1ccccc1)C2 ZINC000459373181 823175340 /nfs/dbraw/zinc/17/53/40/823175340.db2.gz JVYDYIJMSCYHRO-OAQYLSRUSA-N 1 0 390.556 4.305 20 0 GIADRO CCn1nnc(C)c1C[N@@H+]1CCC[C@H](c2nc(-c3ccccc3OC)cs2)C1 ZINC000571391915 823176446 /nfs/dbraw/zinc/17/64/46/823176446.db2.gz GDQCWOFAHWRKNY-INIZCTEOSA-N 1 0 397.548 4.118 20 0 GIADRO CSc1ccc([C@@H](CNC(=O)c2cc(-c3cccs3)on2)[NH+](C)C)cc1 ZINC000571391137 823176487 /nfs/dbraw/zinc/17/64/87/823176487.db2.gz SIVJXOVCAVORNB-MRXNPFEDSA-N 1 0 387.530 4.158 20 0 GIADRO CSCCc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccsc2)cc1 ZINC000459377657 823176832 /nfs/dbraw/zinc/17/68/32/823176832.db2.gz UGFJUWYRUHGBMC-UHFFFAOYSA-N 1 0 377.579 4.249 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCOc2c(F)cccc21)c1ccc(OCc2nccn2C)cc1 ZINC000188050726 823177836 /nfs/dbraw/zinc/17/78/36/823177836.db2.gz XKMKKTMTORAGKX-QRWLVFNGSA-N 1 0 381.451 4.313 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)N1CCC[C@H]1c1ccccn1 ZINC000056599497 823178126 /nfs/dbraw/zinc/17/81/26/823178126.db2.gz KAIZEEQNZCSCIT-FQEVSTJZSA-N 1 0 382.508 4.171 20 0 GIADRO c1c(CNC2CC[NH+](CC3CC3)CC2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459381314 823178268 /nfs/dbraw/zinc/17/82/68/823178268.db2.gz BWOZKOADDYZOSM-UHFFFAOYSA-N 1 0 379.552 4.024 20 0 GIADRO COc1ccc2cc(C[NH2+]Cc3ccccc3N3CCO[C@@H](C)C3)ccc2c1 ZINC000459382484 823178579 /nfs/dbraw/zinc/17/85/79/823178579.db2.gz FFZYTQJVOSLDOV-SFHVURJKSA-N 1 0 376.500 4.363 20 0 GIADRO CC[C@H](NC(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C)c1c(C)noc1C ZINC000121408220 823179381 /nfs/dbraw/zinc/17/93/81/823179381.db2.gz XLWSPCTWEULQTB-FTRWYGJKSA-N 1 0 398.551 4.198 20 0 GIADRO O=C([C@@H]1C[C@H]1c1ccco1)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000121410804 823179643 /nfs/dbraw/zinc/17/96/43/823179643.db2.gz QZHVWJYANKDVOO-QZTJIDSGSA-N 1 0 392.421 4.136 20 0 GIADRO CC(C)CC(=O)Nc1cccc(C[NH2+]Cc2ccccc2N2CCO[C@H](C)C2)c1 ZINC000459388172 823180181 /nfs/dbraw/zinc/18/01/81/823180181.db2.gz OEPJBFPDDDQYSF-LJQANCHMSA-N 1 0 395.547 4.186 20 0 GIADRO CCOc1ccccc1Oc1ccc(C[NH2+][C@@H]2C[C@@H](OCC)[C@H]2SC)cn1 ZINC000459388238 823180312 /nfs/dbraw/zinc/18/03/12/823180312.db2.gz KLDJMPCYVKMOEB-BSIFCXSSSA-N 1 0 388.533 4.271 20 0 GIADRO C[C@@H](c1cccc(Br)c1)[NH+]1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000121430882 823183222 /nfs/dbraw/zinc/18/32/22/823183222.db2.gz RXKDJJXWIMOHEU-CVEARBPZSA-N 1 0 393.369 4.481 20 0 GIADRO O=C(N[C@@H](c1ccccc1)c1ccncc1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176319800 823181073 /nfs/dbraw/zinc/18/10/73/823181073.db2.gz XMJNTGKRGIAGAG-QHCPKHFHSA-N 1 0 392.547 4.267 20 0 GIADRO Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000056613753 823181431 /nfs/dbraw/zinc/18/14/31/823181431.db2.gz QIDAJMZQTIWLDT-SFHVURJKSA-N 1 0 394.519 4.243 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)C1(c2ccccc2Br)CC1 ZINC000188081663 823183435 /nfs/dbraw/zinc/18/34/35/823183435.db2.gz WRGYWHDAWWXLKR-UHFFFAOYSA-N 1 0 387.321 4.489 20 0 GIADRO CCOc1cc(C[NH2+]CC2(c3ccccc3Cl)CCOCC2)ccc1O ZINC000459397994 823183532 /nfs/dbraw/zinc/18/35/32/823183532.db2.gz DYAXNIZNAAKLRN-UHFFFAOYSA-N 1 0 375.896 4.282 20 0 GIADRO Cc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccsc2)cc1OC(F)F ZINC000459399793 823183905 /nfs/dbraw/zinc/18/39/05/823183905.db2.gz KIQQHIYRNVDFHP-UHFFFAOYSA-N 1 0 383.464 4.254 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1C[NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000459401798 823184477 /nfs/dbraw/zinc/18/44/77/823184477.db2.gz YCCPQLGYIKQEDG-OAHLLOKOSA-N 1 0 384.524 4.337 20 0 GIADRO Cc1c(COc2ccccc2)cccc1NC(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459418877 823188610 /nfs/dbraw/zinc/18/86/10/823188610.db2.gz GLKLBACHQFXCTR-IBGZPJMESA-N 1 0 381.520 4.427 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+]CCc2ccc(NC(C)=O)cc2)[C@H]1Sc1ccccc1 ZINC000459403017 823185184 /nfs/dbraw/zinc/18/51/84/823185184.db2.gz GWHKFRHVOBWKQC-BHDDXSALSA-N 1 0 384.545 4.115 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(NCc2ccccc2N2CCO[C@@H](C)C2)CC1 ZINC000459405277 823185609 /nfs/dbraw/zinc/18/56/09/823185609.db2.gz FEEUIMPAMMFZML-LEWJYISDSA-N 1 0 393.575 4.227 20 0 GIADRO C[C@H](CNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)Cc1cccs1 ZINC000176337876 823186013 /nfs/dbraw/zinc/18/60/13/823186013.db2.gz VVGYMQREKVFTDP-SFHVURJKSA-N 1 0 385.577 4.233 20 0 GIADRO COc1cc(F)c([C@H](C)NCc2cccc(O)c2Br)cc1OC ZINC000459421334 823188859 /nfs/dbraw/zinc/18/88/59/823188859.db2.gz YSKQTYYBALITRK-JTQLQIEISA-N 1 0 384.245 4.162 20 0 GIADRO Cn1c(COc2ccc(Cl)cc2)nnc1SCC[C@H]1CCCC[N@@H+]1C ZINC000121450872 823186990 /nfs/dbraw/zinc/18/69/90/823186990.db2.gz LDWDEVRQRPAKLP-OAHLLOKOSA-N 1 0 380.945 4.014 20 0 GIADRO C[C@@H]1C[C@H](N[C@H](c2ncc[nH]2)c2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000188116614 823188909 /nfs/dbraw/zinc/18/89/09/823188909.db2.gz MUVTTWOCRFHKDI-YHYVQYDKSA-N 1 0 378.495 4.281 20 0 GIADRO CCN(CCC[NH+]1CCCC1)C(=O)c1cc(-c2ccncc2)nc2ccccc21 ZINC000188111894 823187971 /nfs/dbraw/zinc/18/79/71/823187971.db2.gz UOQMAQLSJGPLPI-UHFFFAOYSA-N 1 0 388.515 4.245 20 0 GIADRO C[C@@H]([NH2+]CC(=O)NC(C)(C)C)c1ccc(Br)cc1C(F)(F)F ZINC000188111730 823187976 /nfs/dbraw/zinc/18/79/76/823187976.db2.gz SITVMFRNCXQLPX-SECBINFHSA-N 1 0 381.236 4.033 20 0 GIADRO Clc1ccc(CN2CCC([NH2+][C@@H](c3nnc[nH]3)C3CCCCC3)CC2)cc1 ZINC000571473061 823188114 /nfs/dbraw/zinc/18/81/14/823188114.db2.gz SNOOMACCLNIKPZ-HXUWFJFHSA-N 1 0 387.959 4.334 20 0 GIADRO COc1cc(NC(=O)CC[NH2+][C@H](C)CCc2ccccc2)c(OC)cc1Cl ZINC000571484474 823189880 /nfs/dbraw/zinc/18/98/80/823189880.db2.gz FRWHTJIRDQLUIE-OAHLLOKOSA-N 1 0 390.911 4.297 20 0 GIADRO CCOc1cc(C[NH2+]Cc2cc(N(C)C)nc3ccccc23)cc(Cl)c1O ZINC000459427729 823190214 /nfs/dbraw/zinc/19/02/14/823190214.db2.gz VFCMEPBWALZFSQ-UHFFFAOYSA-N 1 0 385.895 4.348 20 0 GIADRO CCOc1ccc(NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c(C)c1 ZINC000571486147 823190231 /nfs/dbraw/zinc/19/02/31/823190231.db2.gz QZIWIDHXXVBUKR-SFTDATJTSA-N 1 0 393.531 4.380 20 0 GIADRO FC(F)(F)Cc1noc(-c2cccc(C[NH2+][C@@H]3CCc4ccccc4C3)c2)n1 ZINC000571486027 823190258 /nfs/dbraw/zinc/19/02/58/823190258.db2.gz PBDSPKPEVXGUOS-GOSISDBHSA-N 1 0 387.405 4.489 20 0 GIADRO C[C@@H]1CN(c2ccccc2C[NH2+][C@H]2CC(C)(C)Oc3cc(F)ccc32)CCO1 ZINC000459433562 823191067 /nfs/dbraw/zinc/19/10/67/823191067.db2.gz LWQUNTJYFGWOII-UZLBHIALSA-N 1 0 384.495 4.443 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCc3cn(C(C)C)nc3C2)[C@H]1Sc1ccccc1 ZINC000459435734 823191633 /nfs/dbraw/zinc/19/16/33/823191633.db2.gz PEDBCXUABHKIFK-GUGJDKNPSA-N 1 0 385.577 4.249 20 0 GIADRO CCOc1cc(C[NH2+][C@@H](CC)c2c(C)noc2C)cc(Br)c1O ZINC000459438600 823192400 /nfs/dbraw/zinc/19/24/00/823192400.db2.gz JAGTUOAXITUVJZ-AWEZNQCLSA-N 1 0 383.286 4.399 20 0 GIADRO Cc1nccn1C[C@@H](C)C[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000121502352 823195705 /nfs/dbraw/zinc/19/57/05/823195705.db2.gz YSUQDMXANNDYLN-SUMWQHHRSA-N 1 0 378.314 4.094 20 0 GIADRO Cc1ccc2cc([C@@H](C)[NH2+]Cc3ccc(C(=O)N4CCOCC4)cc3)oc2c1 ZINC000571498554 823192595 /nfs/dbraw/zinc/19/25/95/823192595.db2.gz QWODJIKTAKQYQW-QGZVFWFLSA-N 1 0 378.472 4.064 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)CN1CCCC1=O)c1ccc(Br)cc1C(F)(F)F ZINC000188140390 823192652 /nfs/dbraw/zinc/19/26/52/823192652.db2.gz UWHQHGHKCKTQCI-WDEREUQCSA-N 1 0 393.247 4.129 20 0 GIADRO Oc1cccc(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)c1Br ZINC000459442464 823192673 /nfs/dbraw/zinc/19/26/73/823192673.db2.gz OWSOEMIAKJZZCD-YOEHRIQHSA-N 1 0 376.294 4.412 20 0 GIADRO Cc1cc(C)n(-c2ccccc2C[NH2+]Cc2ccccc2N2CCO[C@H](C)C2)n1 ZINC000459443509 823193121 /nfs/dbraw/zinc/19/31/21/823193121.db2.gz QCYGWJOYVQQKCB-HXUWFJFHSA-N 1 0 390.531 4.004 20 0 GIADRO CCOc1cc(C[NH2+][C@@H](c2cccnc2)C2CC2)cc(Br)c1O ZINC000459445618 823193685 /nfs/dbraw/zinc/19/36/85/823193685.db2.gz DOVRUOWHHDAHTN-QGZVFWFLSA-N 1 0 377.282 4.189 20 0 GIADRO C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000571505057 823193740 /nfs/dbraw/zinc/19/37/40/823193740.db2.gz KAHWBBYUDOJCQB-IYOUNJFTSA-N 1 0 386.927 4.207 20 0 GIADRO CCOc1ccc(NC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)cc1F ZINC000056702366 823195835 /nfs/dbraw/zinc/19/58/35/823195835.db2.gz NJZKIKKIGXLUTK-UHFFFAOYSA-N 1 0 377.504 4.344 20 0 GIADRO COc1cc(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)cc(Cl)c1OCCC(C)C ZINC000571514992 823194856 /nfs/dbraw/zinc/19/48/56/823194856.db2.gz IJYXZHGWPRFMFN-GOEBONIOSA-N 1 0 382.932 4.021 20 0 GIADRO COc1ccc(COC[C@H](O)C[NH2+][C@H](C)c2ccc3ccccc3c2)cc1OC ZINC000121501014 823195328 /nfs/dbraw/zinc/19/53/28/823195328.db2.gz WJSNSDDYWCOOEJ-VGOFRKELSA-N 1 0 395.499 4.085 20 0 GIADRO O=C1C[C@@H](C[NH2+][C@@H](CCCc2ccccc2)c2ccc(F)cc2)CN1C1CC1 ZINC000571529593 823196213 /nfs/dbraw/zinc/19/62/13/823196213.db2.gz OLHRLEQLKAHHJY-CVDCTZTESA-N 1 0 380.507 4.490 20 0 GIADRO CCOc1cc(C[NH2+][C@H](C)[C@@H](OC)c2ccc(OC)cc2)cc(Cl)c1O ZINC000459463199 823197602 /nfs/dbraw/zinc/19/76/02/823197602.db2.gz LHBHRHOFEXMMBT-ZUOKHONESA-N 1 0 379.884 4.319 20 0 GIADRO O=C(Nc1ccccc1O)C1CC[NH+](CCOc2cccc3ccccc32)CC1 ZINC000121513230 823197786 /nfs/dbraw/zinc/19/77/86/823197786.db2.gz XCIDDJINQQOMNC-UHFFFAOYSA-N 1 0 390.483 4.275 20 0 GIADRO CCC[C@H](C)C(=O)NCC[NH2+][C@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000571540934 823197850 /nfs/dbraw/zinc/19/78/50/823197850.db2.gz FIVWPAMFGUTYNZ-UONOGXRCSA-N 1 0 377.529 4.461 20 0 GIADRO C[C@H]1C[NH+](CCC2CCN(C(=O)Nc3cccc(Cl)c3)CC2)C[C@H](C)O1 ZINC000176395535 823198529 /nfs/dbraw/zinc/19/85/29/823198529.db2.gz UAUIFZRAJNRPEO-HOTGVXAUSA-N 1 0 379.932 4.083 20 0 GIADRO C[C@H](NC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1)c1c(F)cncc1F ZINC000571545432 823198515 /nfs/dbraw/zinc/19/85/15/823198515.db2.gz OIIVAMWMKFPNEA-INIZCTEOSA-N 1 0 395.453 4.483 20 0 GIADRO CN(C)[C@@H](C[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1)c1ccccc1 ZINC000459470614 823199120 /nfs/dbraw/zinc/19/91/20/823199120.db2.gz SRSWVQIPKOHVGQ-QHCPKHFHSA-N 1 0 389.547 4.453 20 0 GIADRO CCc1noc(-c2ccc(CC[NH2+][C@H](c3ncc[nH]3)c3ccc(F)cc3)cc2)n1 ZINC000188181240 823199528 /nfs/dbraw/zinc/19/95/28/823199528.db2.gz WLIVSTVUCJQBLF-FQEVSTJZSA-N 1 0 391.450 4.083 20 0 GIADRO c1c(CC[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)nc2ccccn12 ZINC000459472895 823199561 /nfs/dbraw/zinc/19/95/61/823199561.db2.gz XAEBGXBHRXLUIM-UHFFFAOYSA-N 1 0 386.503 4.040 20 0 GIADRO C[C@@H](O)C[C@@H](C[NH2+]C1CCN(Cc2ccccc2Cl)CC1)c1ccccc1 ZINC000121523220 823199624 /nfs/dbraw/zinc/19/96/24/823199624.db2.gz ZRNWDQMLPNQGLQ-NQIIRXRSSA-N 1 0 386.967 4.449 20 0 GIADRO C[C@H](C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000571554856 823199634 /nfs/dbraw/zinc/19/96/34/823199634.db2.gz KJLINMFXYFPMBQ-XAUMDUMWSA-N 1 0 379.529 4.338 20 0 GIADRO O=C(c1ccncc1)N1CCC([NH2+][C@H]2CCCC[C@@H](c3ccccc3)C2)CC1 ZINC000459474616 823199730 /nfs/dbraw/zinc/19/97/30/823199730.db2.gz YPYHGCBUSHWOMR-GGAORHGYSA-N 1 0 377.532 4.392 20 0 GIADRO O=C(c1ccncc1)N1CCC([NH2+][C@H]2CCCC[C@H](c3ccccc3)C2)CC1 ZINC000459474618 823199744 /nfs/dbraw/zinc/19/97/44/823199744.db2.gz YPYHGCBUSHWOMR-GMAHTHKFSA-N 1 0 377.532 4.392 20 0 GIADRO C[C@@H]([NH2+]Cc1cc(=O)[nH]c(C2CC2)n1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000459484284 823202038 /nfs/dbraw/zinc/20/20/38/823202038.db2.gz ZZGYPKNSZPKBGX-OAHLLOKOSA-N 1 0 388.471 4.163 20 0 GIADRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000571570033 823202143 /nfs/dbraw/zinc/20/21/43/823202143.db2.gz PINIKTGEASAIHC-ZDUSSCGKSA-N 1 0 398.338 4.088 20 0 GIADRO CC(C)c1nccn1Cc1cccc(NC(=O)N(CC[NH+](C)C)C2CCCC2)c1 ZINC000176412318 823202773 /nfs/dbraw/zinc/20/27/73/823202773.db2.gz DFWLSGGCJKHCIN-UHFFFAOYSA-N 1 0 397.567 4.393 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1C[NH2+]CCCc1nc2ccccc2n1C ZINC000459488569 823202853 /nfs/dbraw/zinc/20/28/53/823202853.db2.gz WYZDUTLDIIOXFZ-UHFFFAOYSA-N 1 0 379.533 4.191 20 0 GIADRO Cc1cccc(C[C@@H](CO)[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)c1 ZINC000459490121 823203243 /nfs/dbraw/zinc/20/32/43/823203243.db2.gz AYRBQDIYQLVMFN-NRFANRHFSA-N 1 0 390.531 4.062 20 0 GIADRO Cc1noc(-c2ccccc2)c1NC(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000459495321 823204125 /nfs/dbraw/zinc/20/41/25/823204125.db2.gz UREAIWUBGWIKEN-UHFFFAOYSA-N 1 0 384.505 4.307 20 0 GIADRO CC[C@H](C)[NH2+][C@H](CNC(=O)CCc1ncc(-c2ccc(C)cc2)o1)c1ccco1 ZINC000571593585 823204969 /nfs/dbraw/zinc/20/49/69/823204969.db2.gz JDGGIDKNGNTRAW-PKOBYXMFSA-N 1 0 395.503 4.421 20 0 GIADRO CN1CCC2(CC[NH+](C/C=C/c3ccc(OCc4ccccc4)cc3)CC2)C1=O ZINC000459500159 823205237 /nfs/dbraw/zinc/20/52/37/823205237.db2.gz AANJLYYWKQTUCZ-VMPITWQZSA-N 1 0 390.527 4.223 20 0 GIADRO CC1CC[NH+]([C@H](CNC(=O)N2CCC[C@H]2c2ccccn2)c2ccccc2)CC1 ZINC000056745920 823205423 /nfs/dbraw/zinc/20/54/23/823205423.db2.gz LFENARBFGGZWHJ-XZOQPEGZSA-N 1 0 392.547 4.401 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)N3Cc4ccc(Cl)cc4C3)c2)CC1 ZINC000459501296 823205521 /nfs/dbraw/zinc/20/55/21/823205521.db2.gz CRPJLJZBBXXRPT-UHFFFAOYSA-N 1 0 384.911 4.030 20 0 GIADRO CCCOc1ccc(NC(=O)NCc2ccc(OCC[NH+](C)C)cc2)c(C)c1 ZINC000056746780 823205552 /nfs/dbraw/zinc/20/55/52/823205552.db2.gz VWXZZURLTKODSO-UHFFFAOYSA-N 1 0 385.508 4.046 20 0 GIADRO COc1c(Cl)cccc1NC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000056755822 823207586 /nfs/dbraw/zinc/20/75/86/823207586.db2.gz ZWTDGXOZOPPFQV-UHFFFAOYSA-N 1 0 379.932 4.469 20 0 GIADRO Cc1cccc(NC(=O)[C@H](C)[NH+]2CCC3(CC2)OCCc2ccccc23)c1C ZINC000459511462 823208095 /nfs/dbraw/zinc/20/80/95/823208095.db2.gz DJYWDJQDNGBETR-IBGZPJMESA-N 1 0 378.516 4.194 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N(Cc1ccccn1)C1CC1 ZINC000056764360 823208938 /nfs/dbraw/zinc/20/89/38/823208938.db2.gz MKGOIJCZINHDLQ-UHFFFAOYSA-N 1 0 378.520 4.307 20 0 GIADRO CC(C)(C)[C@H](Cn1ccnc1)NC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000056763990 823209004 /nfs/dbraw/zinc/20/90/04/823209004.db2.gz UREGVMRXURZRSP-NRFANRHFSA-N 1 0 397.567 4.148 20 0 GIADRO Cc1cc([C@@H]2CCCN2C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)on1 ZINC000056764002 823209055 /nfs/dbraw/zinc/20/90/55/823209055.db2.gz PNZWVDQOPZEQMF-FQEVSTJZSA-N 1 0 382.508 4.380 20 0 GIADRO CC[C@@H](C(=O)N1CCC([NH2+][C@@H](C)c2cccc(CO)c2)CC1)c1ccccc1 ZINC000121575193 823209118 /nfs/dbraw/zinc/20/91/18/823209118.db2.gz KNVFUTNUTHVJER-FDDCHVKYSA-N 1 0 380.532 4.014 20 0 GIADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)N[C@@H]1CCc2cc(F)ccc21 ZINC000176447096 823209640 /nfs/dbraw/zinc/20/96/40/823209640.db2.gz QSEVYSCNYPFUMQ-QGZVFWFLSA-N 1 0 389.437 4.119 20 0 GIADRO CCc1cccc(C)c1NC(=O)C[NH2+][C@H](c1ccccc1)C1(CO)CCCC1 ZINC000459520653 823210019 /nfs/dbraw/zinc/21/00/19/823210019.db2.gz DRIAHUPPAWJDDA-HSZRJFAPSA-N 1 0 380.532 4.380 20 0 GIADRO CC(C)(C)OC(=O)N1CCc2cccc(C[NH+]3CCC([C@@H]4CCCO4)CC3)c21 ZINC000188259903 823210643 /nfs/dbraw/zinc/21/06/43/823210643.db2.gz RVNSAEUVRYSVOR-FQEVSTJZSA-N 1 0 386.536 4.375 20 0 GIADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccncc2OCC(F)F)[C@H]1Sc1ccccc1 ZINC000459529355 823212474 /nfs/dbraw/zinc/21/24/74/823212474.db2.gz LREMAQGBZRMDSF-MBOZVWFJSA-N 1 0 394.487 4.153 20 0 GIADRO O=C(c1ccccc1)N1CC[C@@H](C[NH2+][C@@H](c2ccccc2)C2(CO)CCCC2)C1 ZINC000459527221 823211999 /nfs/dbraw/zinc/21/19/99/823211999.db2.gz BJLHWGFIYPIFJG-REWPJTCUSA-N 1 0 392.543 4.032 20 0 GIADRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)c1c[nH]c3cccc(F)c13)c1ccccc1O2 ZINC000121595301 823212978 /nfs/dbraw/zinc/21/29/78/823212978.db2.gz ZAUXELRRQSJPRS-IBGZPJMESA-N 1 0 393.462 4.025 20 0 GIADRO C[C@H]1CCC[C@@H](OCC(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)C1 ZINC000571638469 823213231 /nfs/dbraw/zinc/21/32/31/823213231.db2.gz VOQWILBRRHHJAE-MAUKXSAKSA-N 1 0 394.943 4.347 20 0 GIADRO C[C@H](NC(=O)Nc1ccc(-c2nncs2)cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000459532380 823213397 /nfs/dbraw/zinc/21/33/97/823213397.db2.gz ISOZUVKVPNESMT-KSSFIOAISA-N 1 0 381.505 4.018 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)Nc2ccc(-c3csnn3)cc2)C1 ZINC000056788107 823213501 /nfs/dbraw/zinc/21/35/01/823213501.db2.gz PNKHGUVQOURIFC-IYBDPMFKSA-N 1 0 387.553 4.085 20 0 GIADRO CC[C@H](CC1CCCC1)C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000571679377 823217903 /nfs/dbraw/zinc/21/79/03/823217903.db2.gz GQXVEYNYPCGWGC-GOSISDBHSA-N 1 0 386.584 4.189 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)Nc1ccc(-c2csnn2)cc1 ZINC000056788195 823213640 /nfs/dbraw/zinc/21/36/40/823213640.db2.gz YAXYYTGJFGMETR-UHFFFAOYSA-N 1 0 395.532 4.367 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)Nc2ccc(-c3csnn3)cc2)c1 ZINC000056788474 823213871 /nfs/dbraw/zinc/21/38/71/823213871.db2.gz JSSVRANFWKFRTF-UHFFFAOYSA-N 1 0 395.532 4.369 20 0 GIADRO CCC[C@H]([NH2+][C@@H](C)c1cccc(CO)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000121602020 823214414 /nfs/dbraw/zinc/21/44/14/823214414.db2.gz YVUQOQDMJUFWTJ-MBSDFSHPSA-N 1 0 395.547 4.237 20 0 GIADRO C[C@H](CCNC(=O)Nc1ccc(-c2nncs2)cc1)[N@H+](C)Cc1ccccc1 ZINC000459536621 823214449 /nfs/dbraw/zinc/21/44/49/823214449.db2.gz QJGKCRBTOGUSRK-MRXNPFEDSA-N 1 0 395.532 4.237 20 0 GIADRO CCOc1cccc2cc([C@@H](C)NC(=O)N3CCC(CC[NH+](C)C)CC3)oc21 ZINC000056812081 823218028 /nfs/dbraw/zinc/21/80/28/823218028.db2.gz GUDHWKQRIRWNMX-MRXNPFEDSA-N 1 0 387.524 4.266 20 0 GIADRO FC(F)OC[C@H]1CC[N@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000459536969 823214680 /nfs/dbraw/zinc/21/46/80/823214680.db2.gz MNYRGOASEMWJGG-HNNXBMFYSA-N 1 0 376.451 4.121 20 0 GIADRO O=C(N[C@@H]1CCCOc2c(Cl)cccc21)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000571657635 823215194 /nfs/dbraw/zinc/21/51/94/823215194.db2.gz GSABHRNFTKUKSX-IPELMVKDSA-N 1 0 391.943 4.117 20 0 GIADRO CC[NH+]1CCC(CNC(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)CC1 ZINC000571657344 823215208 /nfs/dbraw/zinc/21/52/08/823215208.db2.gz NAQNICKFBJWSMG-UHFFFAOYSA-N 1 0 399.482 4.096 20 0 GIADRO C[N@H+](C/C=C\c1ccc(OCc2ccccc2)cc1)C1(CCO)CCOCC1 ZINC000459550348 823218135 /nfs/dbraw/zinc/21/81/35/823218135.db2.gz JATHNQUMWZCWKG-YVMONPNESA-N 1 0 381.516 4.142 20 0 GIADRO CC(C)[C@H]([NH2+]CCc1cc(C(F)(F)F)ccn1)c1ccc2[nH]c(=O)oc2c1 ZINC000571660309 823215480 /nfs/dbraw/zinc/21/54/80/823215480.db2.gz KNFWJIWNEZUPME-KRWDZBQOSA-N 1 0 379.382 4.477 20 0 GIADRO CC(=O)c1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccsc2)cc1Cl ZINC000459544245 823216535 /nfs/dbraw/zinc/21/65/35/823216535.db2.gz ZUWUYWYNQOKMFZ-UHFFFAOYSA-N 1 0 379.913 4.200 20 0 GIADRO CC(C)Oc1ccc([C@H](CNC(=O)c2ccnc3ccccc32)[NH+](C)C)cc1 ZINC000571668918 823216713 /nfs/dbraw/zinc/21/67/13/823216713.db2.gz YCJYISHIAIKHLW-QFIPXVFZSA-N 1 0 377.488 4.055 20 0 GIADRO Cc1cccc(CN(CC[NH+](C)C)C(=O)Nc2ccc(-c3nncs3)cc2)c1 ZINC000459543780 823216753 /nfs/dbraw/zinc/21/67/53/823216753.db2.gz MLDHNRNDFQIEOB-UHFFFAOYSA-N 1 0 395.532 4.109 20 0 GIADRO Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000571670848 823217058 /nfs/dbraw/zinc/21/70/58/823217058.db2.gz UEXIZNCFMGAMSM-LBPRGKRZSA-N 1 0 382.291 4.076 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(-c2nncs2)cc1)c1ccccc1 ZINC000459546421 823217300 /nfs/dbraw/zinc/21/73/00/823217300.db2.gz SKYYHWFHCURELL-LJQANCHMSA-N 1 0 395.532 4.410 20 0 GIADRO COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)c1 ZINC000188306242 823217346 /nfs/dbraw/zinc/21/73/46/823217346.db2.gz TXCXRXULTBTDTF-UNMCSNQZSA-N 1 0 394.515 4.084 20 0 GIADRO Cc1c(C[NH2+][C@@H](C)c2ccc(Br)cc2C(F)(F)F)cnn1C ZINC000188325825 823219984 /nfs/dbraw/zinc/21/99/84/823219984.db2.gz WLIYHFXFRHOEJM-VIFPVBQESA-N 1 0 376.220 4.361 20 0 GIADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@@H](C)c2ccc(C(F)(F)F)cc2)o1 ZINC000056834171 823220298 /nfs/dbraw/zinc/22/02/98/823220298.db2.gz MYOUKACSHXSMSJ-HNNXBMFYSA-N 1 0 397.441 4.441 20 0 GIADRO C[NH+](C)CCOc1ccccc1-c1noc(-c2cnc(-c3ccco3)s2)n1 ZINC000571697314 823220502 /nfs/dbraw/zinc/22/05/02/823220502.db2.gz UVMDWSBWEPONJN-UHFFFAOYSA-N 1 0 382.445 4.061 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1cccs1 ZINC000121639915 823220924 /nfs/dbraw/zinc/22/09/24/823220924.db2.gz FDSHKQIKPOEKME-IIAWOOMASA-N 1 0 382.451 4.290 20 0 GIADRO CCC(CC)(CNC(=O)c1cccc2oc(=O)[nH]c21)[NH2+][C@@H](C)c1ccccc1 ZINC000571699116 823221262 /nfs/dbraw/zinc/22/12/62/823221262.db2.gz CJFKMWYWIQKDEQ-HNNXBMFYSA-N 1 0 381.476 4.173 20 0 GIADRO C[C@H]1C[C@H]1[N@@H+]1CCN(Cc2cn(C3CCCC3)nc2-c2ccccn2)C[C@@H](C)C1 ZINC000459563786 823221332 /nfs/dbraw/zinc/22/13/32/823221332.db2.gz VKNZFVYXUDBMLH-SELNLUPBSA-N 1 0 393.579 4.222 20 0 GIADRO Cc1cc(Cl)cnc1NC(=O)N(C)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000571698978 823221337 /nfs/dbraw/zinc/22/13/37/823221337.db2.gz VTCGJUSDZYHDQV-UHFFFAOYSA-N 1 0 388.899 4.186 20 0 GIADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CCc2[nH]c3ccccc3c2C1 ZINC000176496921 823221532 /nfs/dbraw/zinc/22/15/32/823221532.db2.gz NYXXDLXCVVWZDZ-UHFFFAOYSA-N 1 0 380.536 4.033 20 0 GIADRO COCCOc1ccc([C@H](C)[NH2+][C@H](C)c2cccc(NC(C)=O)c2)cc1OC ZINC000121652264 823223194 /nfs/dbraw/zinc/22/31/94/823223194.db2.gz IJXMCGWITOVUHU-CVEARBPZSA-N 1 0 386.492 4.091 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)[C@H]1Sc1ccccc1 ZINC000459567541 823221995 /nfs/dbraw/zinc/22/19/95/823221995.db2.gz IROFKTZYUQINRF-CHKJKVEQSA-N 1 0 384.545 4.230 20 0 GIADRO CC(C)CCOC1CCN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000176499841 823222195 /nfs/dbraw/zinc/22/21/95/823222195.db2.gz FAXOUJHMOPVPAI-UHFFFAOYSA-N 1 0 379.589 4.020 20 0 GIADRO C[NH+](C)Cc1cc(-c2noc(-c3ccn(-c4ccc(F)cc4F)n3)n2)ccc1F ZINC000571683647 823218607 /nfs/dbraw/zinc/21/86/07/823218607.db2.gz JKPULYGJTXWQSN-UHFFFAOYSA-N 1 0 399.376 4.068 20 0 GIADRO Cc1nc(C(C)(C)NC(=O)NC2CC[NH+](C3CCCCC3)CC2)sc1C ZINC000176502836 823222818 /nfs/dbraw/zinc/22/28/18/823222818.db2.gz SGWXWMGAQQJPBE-UHFFFAOYSA-N 1 0 378.586 4.091 20 0 GIADRO C[N@@H+]1CCC[C@@H](CCNC(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)C1 ZINC000459552617 823218896 /nfs/dbraw/zinc/21/88/96/823218896.db2.gz WDGBTBVRMPIOJA-LBPRGKRZSA-N 1 0 393.837 4.135 20 0 GIADRO Cc1ccc(-c2nnc([C@@H](C)[N@@H+]3CC[C@@](C)(C(=O)OC(C)(C)C)C3)o2)cc1C ZINC000459576630 823223704 /nfs/dbraw/zinc/22/37/04/823223704.db2.gz GOCBVOFMBMDVSP-OPAMFIHVSA-N 1 0 385.508 4.468 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(S[C@H]3CCOC3=O)cc2)cc1 ZINC000188354499 823224390 /nfs/dbraw/zinc/22/43/90/823224390.db2.gz HLAWNDBQKHMYHB-FQEVSTJZSA-N 1 0 398.528 4.188 20 0 GIADRO C[C@@H](NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C)c1ccccc1C(F)(F)F ZINC000056853714 823224391 /nfs/dbraw/zinc/22/43/91/823224391.db2.gz PIZXMTXTYFBMGH-WBMJQRKESA-N 1 0 385.455 4.430 20 0 GIADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2cccc(-c3ccoc3)c2)cc1 ZINC000121675136 823228231 /nfs/dbraw/zinc/22/82/31/823228231.db2.gz RHYDBUSYTAKEOD-UHFFFAOYSA-N 1 0 377.444 4.089 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(-c3ccccc3)[nH]c2=O)cc1 ZINC000188363359 823226195 /nfs/dbraw/zinc/22/61/95/823226195.db2.gz VMEIKAAQDHOPMZ-UHFFFAOYSA-N 1 0 375.472 4.136 20 0 GIADRO Fc1ccc(CC2([NH2+]Cc3cnc(C4CC4)nc3)CCOCC2)c(Cl)c1 ZINC000459589727 823226318 /nfs/dbraw/zinc/22/63/18/823226318.db2.gz MMSPRHFAFPNVNZ-UHFFFAOYSA-N 1 0 375.875 4.028 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CC(CCO)C2)c1)c1ccc(Cl)cc1Cl ZINC000459593789 823226870 /nfs/dbraw/zinc/22/68/70/823226870.db2.gz PBCXJHVGGAYONI-UHFFFAOYSA-N 1 0 379.287 4.060 20 0 GIADRO CC(C)CS(=O)(=O)N1CCC([NH2+][C@@H](C)c2cc3ccccc3s2)CC1 ZINC000188378127 823229589 /nfs/dbraw/zinc/22/95/89/823229589.db2.gz XDEHEPLPPBXCGW-HNNXBMFYSA-N 1 0 380.579 4.002 20 0 GIADRO O[C@@H](C[NH2+][C@H]1COCc2ccccc21)COC(c1ccccc1)c1ccccc1 ZINC000571755539 823230493 /nfs/dbraw/zinc/23/04/93/823230493.db2.gz GRZCUJPDQDEGPD-UPVQGACJSA-N 1 0 389.495 4.015 20 0 GIADRO O[C@H](C[NH2+][C@@H]1COCc2ccccc21)COC(c1ccccc1)c1ccccc1 ZINC000571755535 823230561 /nfs/dbraw/zinc/23/05/61/823230561.db2.gz GRZCUJPDQDEGPD-ISKFKSNPSA-N 1 0 389.495 4.015 20 0 GIADRO Cc1nc(CCC(=O)NCC2CC[NH+](CCC(C)C)CC2)oc1-c1ccccc1 ZINC000176541403 823232950 /nfs/dbraw/zinc/23/29/50/823232950.db2.gz KULBMAMSHNOYKW-UHFFFAOYSA-N 1 0 397.563 4.457 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC[C@H](O)Cc3ccc(C(F)(F)F)cc3)ccc21 ZINC000571756439 823230957 /nfs/dbraw/zinc/23/09/57/823230957.db2.gz MDHKMXYVKAYJDO-UYAOXDASSA-N 1 0 378.438 4.270 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CCSc2ccc(F)cc21)c1ccc(F)cc1 ZINC000056937460 823232991 /nfs/dbraw/zinc/23/29/91/823232991.db2.gz LDOBDHBKDDMVET-MSOLQXFVSA-N 1 0 391.487 4.104 20 0 GIADRO Cc1ccc(C)c(NC(=O)NCCCC[NH+]2CCN(Cc3ccccc3)CC2)c1 ZINC000409482263 823231109 /nfs/dbraw/zinc/23/11/09/823231109.db2.gz DCYUZZMOGKQJQS-UHFFFAOYSA-N 1 0 394.563 4.023 20 0 GIADRO C[C@H]([NH2+]CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1)c1cncc(F)c1 ZINC000459623605 823231615 /nfs/dbraw/zinc/23/16/15/823231615.db2.gz RQOKYKHDPJYVRN-INIZCTEOSA-N 1 0 387.474 4.372 20 0 GIADRO FC(F)(F)[C@H]1CC[N@H+](CCOc2cccc(Cl)c2)CC12CCOCC2 ZINC000459630515 823233058 /nfs/dbraw/zinc/23/30/58/823233058.db2.gz ANZFFMGAQROBCF-INIZCTEOSA-N 1 0 377.834 4.400 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCCc2cc(S(N)(=O)=O)ccc21)c1cc(Cl)ccc1Cl ZINC000571779324 823233350 /nfs/dbraw/zinc/23/33/50/823233350.db2.gz FVXCNEKQTUEGDU-ADLMAVQZSA-N 1 0 399.343 4.369 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(C)(C)Cc2nc3ccccc3[nH]2)C1 ZINC000409511112 823237483 /nfs/dbraw/zinc/23/74/83/823237483.db2.gz VDSIJYVBZYLPQC-IEBWSBKVSA-N 1 0 390.531 4.083 20 0 GIADRO CC(C)N(C(=O)C[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1)c1ccccc1 ZINC000459640470 823235589 /nfs/dbraw/zinc/23/55/89/823235589.db2.gz LEPSUJRHWULDJG-SFHVURJKSA-N 1 0 398.469 4.109 20 0 GIADRO COc1cc(-c2nc(C[NH2+][C@H](C)CCCc3cccnc3)cs2)ccc1O ZINC000459643685 823236429 /nfs/dbraw/zinc/23/64/29/823236429.db2.gz VEBSQSSTMCSCNY-OAHLLOKOSA-N 1 0 383.517 4.420 20 0 GIADRO CCCCC[C@](C)(CC)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000188412986 823236526 /nfs/dbraw/zinc/23/65/26/823236526.db2.gz SGCHEQVFSHWTDU-QHCPKHFHSA-N 1 0 387.568 4.319 20 0 GIADRO CC(C)[NH+]1CCC(N(C)C(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)CC1 ZINC000056985784 823237844 /nfs/dbraw/zinc/23/78/44/823237844.db2.gz LSWOSEPKQOIVKU-UHFFFAOYSA-N 1 0 395.334 4.124 20 0 GIADRO Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000056986392 823237856 /nfs/dbraw/zinc/23/78/56/823237856.db2.gz KGLBHBWGUXXENI-UHFFFAOYSA-N 1 0 389.540 4.128 20 0 GIADRO COc1ccc([C@H](CNC(=O)c2cc3nc(C)ccc3o2)[NH+]2CCCCC2)cc1 ZINC000409509620 823236978 /nfs/dbraw/zinc/23/69/78/823236978.db2.gz XNXIDLSFJJQNDP-FQEVSTJZSA-N 1 0 393.487 4.102 20 0 GIADRO FC(F)(F)[C@@H]1CC[N@H+](Cc2cc(-n3ccnc3)cs2)CC12CCOCC2 ZINC000459649450 823238409 /nfs/dbraw/zinc/23/84/09/823238409.db2.gz LZCLBSHQAUSUMA-MRXNPFEDSA-N 1 0 385.455 4.115 20 0 GIADRO CC(C)(C)OC(=O)c1cnc(NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000571816796 823239120 /nfs/dbraw/zinc/23/91/20/823239120.db2.gz ODQKLHNTCNKXJU-IBGZPJMESA-N 1 0 396.535 4.146 20 0 GIADRO Cc1cc(NC(=O)NCc2ccncc2OCCC[NH+](C)C)cc(C)c1Cl ZINC000571837755 823242507 /nfs/dbraw/zinc/24/25/07/823242507.db2.gz SEWRDULYKPBYMM-UHFFFAOYSA-N 1 0 390.915 4.004 20 0 GIADRO COc1ccc(C)cc1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000459658160 823242494 /nfs/dbraw/zinc/24/24/94/823242494.db2.gz ORKNIOJNYWTXBH-HOTGVXAUSA-N 1 0 378.476 4.072 20 0 GIADRO CCCCN(CCCC)C(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459651107 823239178 /nfs/dbraw/zinc/23/91/78/823239178.db2.gz YNWDSOURXTVEQF-QGZVFWFLSA-N 1 0 392.506 4.096 20 0 GIADRO C[C@H](CCCc1cccnc1)[NH2+]CC(=O)N[C@H](C)c1cccc2ccccc21 ZINC000459650389 823239209 /nfs/dbraw/zinc/23/92/09/823239209.db2.gz XTNFVYAZILMRPU-RTBURBONSA-N 1 0 375.516 4.413 20 0 GIADRO C[C@H](CCCc1cccnc1)[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000459651551 823239528 /nfs/dbraw/zinc/23/95/28/823239528.db2.gz ZIRUVDUYRLLHMX-ZBFHGGJFSA-N 1 0 383.319 4.129 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000188431161 823240020 /nfs/dbraw/zinc/24/00/20/823240020.db2.gz LYFCHSJDTOXSAY-UHFFFAOYSA-N 1 0 397.828 4.148 20 0 GIADRO CC[C@@H](Cc1ccccc1)C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000571826228 823240315 /nfs/dbraw/zinc/24/03/15/823240315.db2.gz KHKDUGQDAWXSGY-QFIPXVFZSA-N 1 0 380.532 4.098 20 0 GIADRO FC(F)(F)[C@H]1CC[N@H+](Cc2ccnn2-c2ccccc2)CC12CCOCC2 ZINC000459653646 823240392 /nfs/dbraw/zinc/24/03/92/823240392.db2.gz SFTGVWLKKCUMNJ-SFHVURJKSA-N 1 0 379.426 4.053 20 0 GIADRO Cc1ccc2c(C[N@@H+]3CC[C@@H](C(F)(F)F)C4(CCOCC4)C3)ccc(O)c2n1 ZINC000459653813 823240481 /nfs/dbraw/zinc/24/04/81/823240481.db2.gz DJWXFOABAFXTTD-GOSISDBHSA-N 1 0 394.437 4.430 20 0 GIADRO COC(=O)c1oc([C@H](C)[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)cc1C ZINC000459653858 823240489 /nfs/dbraw/zinc/24/04/89/823240489.db2.gz DQHSTVQKDZIESB-DZGCQCFKSA-N 1 0 389.414 4.117 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2c[nH]c(C(F)(F)F)c2)C1 ZINC000571828775 823240825 /nfs/dbraw/zinc/24/08/25/823240825.db2.gz JKGAOODXHCYJSA-CQSZACIVSA-N 1 0 379.426 4.195 20 0 GIADRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)c1cnn(-c2cc(C)ccc2C)c1C)c1ccco1 ZINC000571832466 823241553 /nfs/dbraw/zinc/24/15/53/823241553.db2.gz QVPLQZLPWDYHOQ-XLIONFOSSA-N 1 0 394.519 4.250 20 0 GIADRO C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H](C)c1nc2c(s1)CCC2 ZINC000459657559 823242136 /nfs/dbraw/zinc/24/21/36/823242136.db2.gz XFHLTBVOKWHWPW-CABCVRRESA-N 1 0 397.544 4.137 20 0 GIADRO CC[NH+](CC)CCN(C(=O)c1cccc(C)c1)c1ccc(Br)cn1 ZINC000571844248 823244055 /nfs/dbraw/zinc/24/40/55/823244055.db2.gz PAPRUGHYXXCLAR-UHFFFAOYSA-N 1 0 390.325 4.141 20 0 GIADRO COCc1nc(CN[C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cs1 ZINC000571845078 823244612 /nfs/dbraw/zinc/24/46/12/823244612.db2.gz UGWCLROFYUBZDD-CEWLAPEOSA-N 1 0 385.577 4.070 20 0 GIADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N(Cc2cccs2)Cc2cccs2)C1 ZINC000176602467 823246208 /nfs/dbraw/zinc/24/62/08/823246208.db2.gz ICGZASREYPYFDN-HZPDHXFCSA-N 1 0 377.579 4.394 20 0 GIADRO CCOC[C@@H]1CCCCN1Cc1csc(COc2ccc(OC)cc2)n1 ZINC000459669834 823246636 /nfs/dbraw/zinc/24/66/36/823246636.db2.gz FBKUPPQVEXQOIS-KRWDZBQOSA-N 1 0 376.522 4.122 20 0 GIADRO FC(F)(F)[C@H]1CC[N@H+](Cc2cccc(-n3cccn3)c2)CC12CCOCC2 ZINC000459674724 823247886 /nfs/dbraw/zinc/24/78/86/823247886.db2.gz ZZTDKHJAXWQKBF-SFHVURJKSA-N 1 0 379.426 4.053 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)N(C)Cc2csc(Br)c2)o1 ZINC000057078980 823247158 /nfs/dbraw/zinc/24/71/58/823247158.db2.gz YRQHIYXPOKFOEU-UHFFFAOYSA-N 1 0 385.327 4.218 20 0 GIADRO C[C@H]1CCC[N@@H+]1C1CCN(Cc2nnc(-c3cc4c(s3)CCCC4)o2)CC1 ZINC000121777932 823248509 /nfs/dbraw/zinc/24/85/09/823248509.db2.gz WHQCJEPXPXYYIF-HNNXBMFYSA-N 1 0 386.565 4.126 20 0 GIADRO Cc1cccc(C(NC(=O)N(C)CC2CC[NH+](C)CC2)c2cccc(C)c2)c1 ZINC000176612912 823248870 /nfs/dbraw/zinc/24/88/70/823248870.db2.gz HVWCFGPKKINABX-UHFFFAOYSA-N 1 0 379.548 4.376 20 0 GIADRO C[N@H+](Cc1ccccc1)[C@@H](CN[C@H](c1ncc[nH]1)c1ccc(F)cc1)C1CC1 ZINC000188489755 823249528 /nfs/dbraw/zinc/24/95/28/823249528.db2.gz LBDCEZMFQRFNEO-VXKWHMMOSA-N 1 0 378.495 4.138 20 0 GIADRO Cc1ccc([C@H]2CCCCCN2C(=O)NC2CC[NH+](CCOC(C)C)CC2)o1 ZINC000176615710 823249809 /nfs/dbraw/zinc/24/98/09/823249809.db2.gz PFWKQBBCHFMDPO-HXUWFJFHSA-N 1 0 391.556 4.104 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)N[C@H](CC(F)(F)F)c2ccccc2)CC1 ZINC000057129526 823252562 /nfs/dbraw/zinc/25/25/62/823252562.db2.gz KEQYZZSWSZKAHE-GOSISDBHSA-N 1 0 385.474 4.442 20 0 GIADRO CC(C)c1nc(C[NH2+]C[C@@H](C)c2nc(-c3ccccc3)no2)c2ccccn21 ZINC000571887692 823250086 /nfs/dbraw/zinc/25/00/86/823250086.db2.gz WHVKCMJDFFFWJB-MRXNPFEDSA-N 1 0 375.476 4.401 20 0 GIADRO CCSCC[C@@H](C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000176623632 823251463 /nfs/dbraw/zinc/25/14/63/823251463.db2.gz IUTITGKROTYYMD-VOBGVNJCSA-N 1 0 375.582 4.013 20 0 GIADRO Cc1cc(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c(OC(F)F)cc1C ZINC000121789430 823251791 /nfs/dbraw/zinc/25/17/91/823251791.db2.gz IBGJMTISSTWOPR-MRXNPFEDSA-N 1 0 386.446 4.327 20 0 GIADRO COc1cc(C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)cc(OC)c1OC ZINC000121790512 823252007 /nfs/dbraw/zinc/25/20/07/823252007.db2.gz KLLBGWHLPSESBS-LJQANCHMSA-N 1 0 383.488 4.205 20 0 GIADRO CC(C)[C@H]1C[C@@H](CC(=O)Nc2nc3c(s2)C[N@@H+](C(C)(C)C)CC3)CCO1 ZINC000571910539 823252880 /nfs/dbraw/zinc/25/28/80/823252880.db2.gz GKCCMVFKJZGHDY-GOEBONIOSA-N 1 0 379.570 4.080 20 0 GIADRO C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]C1CCC(C(F)F)CC1 ZINC000459701788 823253572 /nfs/dbraw/zinc/25/35/72/823253572.db2.gz CNRRFMSPUKBMLV-QQFBHYJXSA-N 1 0 378.463 4.255 20 0 GIADRO Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000571915772 823253596 /nfs/dbraw/zinc/25/35/96/823253596.db2.gz ZBLPSYDAOGVWGC-AREMUKBSSA-N 1 0 399.538 4.355 20 0 GIADRO CSc1ccc2c(c1)[C@@H]([NH2+]C1CCN(C(=O)c3ccccc3O)CC1)CCC2 ZINC000571920870 823254168 /nfs/dbraw/zinc/25/41/68/823254168.db2.gz NCZQJAFQWMLCBG-NRFANRHFSA-N 1 0 396.556 4.386 20 0 GIADRO O=c1[nH]c2ccccc2n1C1CC[NH+](Cc2cccc(-c3cccnc3)c2)CC1 ZINC000121801111 823254383 /nfs/dbraw/zinc/25/43/83/823254383.db2.gz KVDRHJQZWIDHQM-UHFFFAOYSA-N 1 0 384.483 4.229 20 0 GIADRO O=c1[nH]c2ccccc2n1C1CC[NH+](Cc2cccc(-c3ccncc3)c2)CC1 ZINC000121803856 823254715 /nfs/dbraw/zinc/25/47/15/823254715.db2.gz JIKPSYNKNFYHKH-UHFFFAOYSA-N 1 0 384.483 4.229 20 0 GIADRO COc1c(C)cnc(CN2CCC([N@H+](C)C[C@H]3C[C@@H]3c3ccccc3)CC2)c1C ZINC000571924221 823254952 /nfs/dbraw/zinc/25/49/52/823254952.db2.gz FMSOJGLNSZNPBI-FYYLOGMGSA-N 1 0 393.575 4.407 20 0 GIADRO Cc1ccc(/C=C/CC(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)cc1 ZINC000176641863 823255546 /nfs/dbraw/zinc/25/55/46/823255546.db2.gz VIQGBUIDHBQVLZ-BXKJMJEDSA-N 1 0 392.543 4.415 20 0 GIADRO C[C@@H](CNC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1)[NH+]1CCCCC1 ZINC000057164297 823257301 /nfs/dbraw/zinc/25/73/01/823257301.db2.gz KFEJGFPWGAEOLX-IRXDYDNUSA-N 1 0 386.565 4.060 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1cc2c(ccc3ccccc23)[nH]1 ZINC000057167375 823257558 /nfs/dbraw/zinc/25/75/58/823257558.db2.gz NMNSSIJGIFLOJE-UHFFFAOYSA-N 1 0 384.483 4.111 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)cc(OC)c1OC ZINC000121829499 823259068 /nfs/dbraw/zinc/25/90/68/823259068.db2.gz LBFOUIRUPWZLGL-GJZGRUSLSA-N 1 0 398.503 4.473 20 0 GIADRO O=C(Nc1cccc(OCc2cccnc2)c1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000057175636 823259199 /nfs/dbraw/zinc/25/91/99/823259199.db2.gz JIDZQWYZXSTZON-HSZRJFAPSA-N 1 0 387.483 4.264 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1)c1cccc(CO)c1 ZINC000121830393 823259251 /nfs/dbraw/zinc/25/92/51/823259251.db2.gz NUZXAPWSTMJNBC-DLBZAZTESA-N 1 0 375.472 4.238 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1cccc(CO)c1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000121830540 823259367 /nfs/dbraw/zinc/25/93/67/823259367.db2.gz NUZXAPWSTMJNBC-IAGOWNOFSA-N 1 0 375.472 4.238 20 0 GIADRO CCCOCc1ccccc1CNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000057175292 823259387 /nfs/dbraw/zinc/25/93/87/823259387.db2.gz NDFQJIPPDIWTPX-UHFFFAOYSA-N 1 0 380.532 4.142 20 0 GIADRO CCC[C@H]1CN(C(=O)c2cccc(NC(C)=O)c2C)CC[N@@H+]1Cc1ccccc1 ZINC000188569867 823263205 /nfs/dbraw/zinc/26/32/05/823263205.db2.gz BXSHAVVOPVECHB-NRFANRHFSA-N 1 0 393.531 4.080 20 0 GIADRO CCC[C@@]1(CO)CC[N@H+](Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000571957765 823260306 /nfs/dbraw/zinc/26/03/06/823260306.db2.gz SPINIFZNEMCMCC-GOSISDBHSA-N 1 0 379.298 4.089 20 0 GIADRO CSc1cccc(F)c1C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000409608434 823260626 /nfs/dbraw/zinc/26/06/26/823260626.db2.gz NUTNXPVCPOPFKU-UHFFFAOYSA-N 1 0 390.549 4.391 20 0 GIADRO Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]C1CCN(C(=O)c2ccco2)CC1 ZINC000121845843 823261841 /nfs/dbraw/zinc/26/18/41/823261841.db2.gz ZZQAVPSNHPNUCS-SFHVURJKSA-N 1 0 388.895 4.350 20 0 GIADRO FC(F)Oc1cccc(C[NH2+][C@@H]2CCO[C@H]2c2cncc(Br)c2)c1 ZINC000459767232 823262218 /nfs/dbraw/zinc/26/22/18/823262218.db2.gz QCLHQGHYMQWOKY-CVEARBPZSA-N 1 0 399.235 4.065 20 0 GIADRO COc1cc(C[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)ccc1OCc1ccncc1 ZINC000459765505 823262268 /nfs/dbraw/zinc/26/22/68/823262268.db2.gz NUMQTSDGERNRQX-FCHUYYIVSA-N 1 0 396.531 4.042 20 0 GIADRO Cc1noc(C)c1C[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000459770259 823262587 /nfs/dbraw/zinc/26/25/87/823262587.db2.gz RZVXCXXAODGRIY-XZOQPEGZSA-N 1 0 379.479 4.188 20 0 GIADRO O=C(C[NH2+]C1(C2CCC2)CCC1)N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC000459771347 823262812 /nfs/dbraw/zinc/26/28/12/823262812.db2.gz NHCULEBBTPFVMQ-KRWDZBQOSA-N 1 0 383.517 4.331 20 0 GIADRO CO[C@@H]1C[C@@H]([NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C12CCC2 ZINC000459778484 823263842 /nfs/dbraw/zinc/26/38/42/823263842.db2.gz KZIASHJMPNYDSP-FGZHOGPDSA-N 1 0 388.515 4.041 20 0 GIADRO O=C(C[NH2+]C1(C2CCC2)CCC1)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000459781163 823264165 /nfs/dbraw/zinc/26/41/65/823264165.db2.gz WFRRYUFYDIZURY-KRWDZBQOSA-N 1 0 383.517 4.331 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)C1(c2ccc(F)cc2)CCOCC1 ZINC000057208289 823264817 /nfs/dbraw/zinc/26/48/17/823264817.db2.gz LAINOPXGOYQEDK-UHFFFAOYSA-N 1 0 396.506 4.499 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)NC[C@H]2CCCC(F)(F)C2)[C@H]1c1cccs1 ZINC000409625685 823265170 /nfs/dbraw/zinc/26/51/70/823265170.db2.gz ZJOHNZASOBQFKW-UXLLHSPISA-N 1 0 385.524 4.256 20 0 GIADRO O=C(Nc1cccc(-c2noc(C3CC3)n2)c1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000176677706 823265328 /nfs/dbraw/zinc/26/53/28/823265328.db2.gz RUPLXBXAYUJJRI-LJQANCHMSA-N 1 0 395.507 4.000 20 0 GIADRO CC(C)OCC[NH+]1CCC(NC(=O)c2ccccc2N(C)c2ccccc2)CC1 ZINC000176678470 823265381 /nfs/dbraw/zinc/26/53/81/823265381.db2.gz UIZMEHWPQUDBMH-UHFFFAOYSA-N 1 0 395.547 4.074 20 0 GIADRO O=C(NC[C@@H]1CCCC(F)(F)C1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000409626660 823265434 /nfs/dbraw/zinc/26/54/34/823265434.db2.gz JKSPJDOYBYYNPI-CVEARBPZSA-N 1 0 385.524 4.085 20 0 GIADRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1ccc(C)nc1C1CC1 ZINC000459866420 823268950 /nfs/dbraw/zinc/26/89/50/823268950.db2.gz YDGUSKHGLSPHHB-UHFFFAOYSA-N 1 0 391.519 4.211 20 0 GIADRO O=C(Nc1cccc(-c2noc(C3CC3)n2)c1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000176677720 823265484 /nfs/dbraw/zinc/26/54/84/823265484.db2.gz RUPLXBXAYUJJRI-IBGZPJMESA-N 1 0 395.507 4.000 20 0 GIADRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)NC[C@@H]1CCCC(F)(F)C1 ZINC000409626318 823265544 /nfs/dbraw/zinc/26/55/44/823265544.db2.gz HJZZQFGICUKAKW-LJQANCHMSA-N 1 0 379.495 4.023 20 0 GIADRO CCc1nc(C)c([C@H](C)[NH2+]CC(=O)Nc2ccc(Br)cc2)s1 ZINC000177907543 823544704 /nfs/dbraw/zinc/54/47/04/823544704.db2.gz QBKAXDQDZGCMKL-JTQLQIEISA-N 1 0 382.327 4.066 20 0 GIADRO Cc1ccc(C[C@H]([NH2+][C@@H](C)Cn2cc(Br)cn2)c2ccccn2)cc1 ZINC000121879769 823269000 /nfs/dbraw/zinc/26/90/00/823269000.db2.gz RWUFBZODDUPUCX-JXFKEZNVSA-N 1 0 399.336 4.311 20 0 GIADRO CC(C)Oc1ccccc1CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000057219337 823266305 /nfs/dbraw/zinc/26/63/05/823266305.db2.gz ZWAOUFOTTLBLMA-UHFFFAOYSA-N 1 0 381.520 4.069 20 0 GIADRO Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[N@H+](C)C[C@H](C)C(=O)OC(C)(C)C ZINC000459807624 823266644 /nfs/dbraw/zinc/26/66/44/823266644.db2.gz NUDWVXWMTREGMQ-DLBZAZTESA-N 1 0 376.541 4.355 20 0 GIADRO C[C@H](NC(=O)NC[C@@H]1CCCC(F)(F)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000409630741 823267130 /nfs/dbraw/zinc/26/71/30/823267130.db2.gz HIOLMJDFJKWDQR-UHOSZYNNSA-N 1 0 379.495 4.022 20 0 GIADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3csc(-c4cccc(C(F)(F)F)c4)n3)C[C@@H]21 ZINC000571999347 823267637 /nfs/dbraw/zinc/26/76/37/823267637.db2.gz ADTIKWOPAHFWNB-VHDGCEQUSA-N 1 0 395.450 4.028 20 0 GIADRO CSc1ccccc1[C@@H](C)NC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000409633096 823267723 /nfs/dbraw/zinc/26/77/23/823267723.db2.gz VDEMJVAIEQPURC-MJGOQNOKSA-N 1 0 383.561 4.291 20 0 GIADRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)NC[C@@H]2CCCC(F)(F)C2)CC1 ZINC000409633791 823267961 /nfs/dbraw/zinc/26/79/61/823267961.db2.gz YKGMXYDCLNDJDV-HXUWFJFHSA-N 1 0 393.522 4.366 20 0 GIADRO C[C@@H]1CN(C(=O)c2ccc(Br)cc2Cl)CC[N@@H+](C2CCC2)C1 ZINC000572026635 823271003 /nfs/dbraw/zinc/27/10/03/823271003.db2.gz CXDVVCDNYGUBBD-LBPRGKRZSA-N 1 0 385.733 4.049 20 0 GIADRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)c1 ZINC000121890359 823270984 /nfs/dbraw/zinc/27/09/84/823270984.db2.gz SNTBTTJDAVBUJM-PKTZIBPZSA-N 1 0 378.516 4.006 20 0 GIADRO CCC(=O)N1CC[C@H]([NH2+][C@@H](Cc2ccc(Cl)cc2)Cc2ccc(CC)cn2)C1 ZINC000572046426 823273545 /nfs/dbraw/zinc/27/35/45/823273545.db2.gz DTVILTWCFIVXDH-VXKWHMMOSA-N 1 0 399.966 4.052 20 0 GIADRO Cc1ccc(C[NH2+]Cc2ccc(N3CCCCCC3)nc2)c(-c2ccnn2C)c1 ZINC000572062576 823276611 /nfs/dbraw/zinc/27/66/11/823276611.db2.gz RRTAZSVFLLRHTK-UHFFFAOYSA-N 1 0 389.547 4.461 20 0 GIADRO C[C@H](Cc1ccccc1)C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000572067586 823277309 /nfs/dbraw/zinc/27/73/09/823277309.db2.gz OBFKUUNICACJCT-LJQANCHMSA-N 1 0 393.531 4.318 20 0 GIADRO Cc1ccc(C[C@@H]([NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)c2ccccn2)cc1 ZINC000121921843 823277628 /nfs/dbraw/zinc/27/76/28/823277628.db2.gz UJRBGUPJCGYBMV-FDDCHVKYSA-N 1 0 394.540 4.428 20 0 GIADRO CC[NH+](CC)Cc1cc([C@H](C)Nc2ccc(OC3COC3)cc2)ccc1OC ZINC000188651412 823280634 /nfs/dbraw/zinc/28/06/34/823280634.db2.gz LVGJJGVZAXVHDI-KRWDZBQOSA-N 1 0 384.520 4.488 20 0 GIADRO O[C@H](C[NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)C1)COCc1ccccc1Cl ZINC000572112750 823285396 /nfs/dbraw/zinc/28/53/96/823285396.db2.gz YJUGYHBOLGVXRU-FVQBIDKESA-N 1 0 379.850 4.176 20 0 GIADRO CCS(=O)(=O)c1ccc(N2CCC([NH2+][C@H]3CCc4c3cccc4C)CC2)cc1 ZINC000121964415 823285510 /nfs/dbraw/zinc/28/55/10/823285510.db2.gz QXUFSGWVQVAQMU-QHCPKHFHSA-N 1 0 398.572 4.035 20 0 GIADRO Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000121944889 823282266 /nfs/dbraw/zinc/28/22/66/823282266.db2.gz KUKVTLANHMRSLD-QGZVFWFLSA-N 1 0 380.602 4.399 20 0 GIADRO C[C@@H](c1cccc(Cl)c1)N(C)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000121950013 823283448 /nfs/dbraw/zinc/28/34/48/823283448.db2.gz WCSBUVDPOGADNC-INIZCTEOSA-N 1 0 389.927 4.183 20 0 GIADRO CC[NH+]1CCC(N(C(=O)c2cccc(NC(=O)c3cccs3)c2)C2CC2)CC1 ZINC000057371264 823283843 /nfs/dbraw/zinc/28/38/43/823283843.db2.gz UJBDXGRLXWNTFM-UHFFFAOYSA-N 1 0 397.544 4.089 20 0 GIADRO COc1cc(C(=O)NCc2ccccc2C[NH+](C)C)ccc1OCCC(C)C ZINC000006992614 817736759 /nfs/dbraw/zinc/73/67/59/817736759.db2.gz PTSWPTAOHFFFCG-UHFFFAOYSA-N 1 0 384.520 4.112 20 0 GIADRO C[C@H](c1cccc(Cl)c1)N(C)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000121954675 823284328 /nfs/dbraw/zinc/28/43/28/823284328.db2.gz AWFJHMKBECYVEB-MRXNPFEDSA-N 1 0 389.927 4.183 20 0 GIADRO c1cc(C[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)cc(CN2CCOCC2)c1 ZINC000121958182 823284566 /nfs/dbraw/zinc/28/45/66/823284566.db2.gz KRTYISYCZBYOEI-DEOSSOPVSA-N 1 0 392.543 4.011 20 0 GIADRO CC[NH+](CC)CCNC(=O)[C@@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000057379301 823285172 /nfs/dbraw/zinc/28/51/72/823285172.db2.gz GZWORHQAENSAPX-CQSZACIVSA-N 1 0 395.956 4.075 20 0 GIADRO CC(C)c1[nH+]c(CN(CCc2ccccn2)Cc2ccncc2)c2ccccn21 ZINC000572125883 823286888 /nfs/dbraw/zinc/28/68/88/823286888.db2.gz MXZNPFMDAGFDOS-UHFFFAOYSA-N 1 0 385.515 4.493 20 0 GIADRO CC(C)C[C@@H](C)n1nccc1NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000460134322 823291828 /nfs/dbraw/zinc/29/18/28/823291828.db2.gz JOTPZSNOGQBIKT-OAHLLOKOSA-N 1 0 375.492 4.013 20 0 GIADRO CCN1CCC([NH+]2CCC(C(=O)Nc3ccc4oc(C(C)C)nc4c3)CC2)CC1 ZINC000572132420 823288312 /nfs/dbraw/zinc/28/83/12/823288312.db2.gz DPKFDIXOFAMSNV-UHFFFAOYSA-N 1 0 398.551 4.086 20 0 GIADRO CCS(=O)(=O)c1ccc(N2CCC([NH2+][C@@H]3CCCC[C@@H]3C(C)C)CC2)cc1 ZINC000121984628 823288836 /nfs/dbraw/zinc/28/88/36/823288836.db2.gz KPDLQYGZNHHYOA-FGZHOGPDSA-N 1 0 392.609 4.253 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)c2sc(CC3CC3)nc2C)CC1 ZINC000188705440 823289448 /nfs/dbraw/zinc/28/94/48/823289448.db2.gz JFPNNLZKHKNFGC-UHFFFAOYSA-N 1 0 377.598 4.378 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N2CCc3ccccc32)cc1OCC ZINC000007266837 817808090 /nfs/dbraw/zinc/80/80/90/817808090.db2.gz NYBZDZAJENJOLA-DLBZAZTESA-N 1 0 382.504 4.112 20 0 GIADRO C[C@H]([NH2+]CC1(c2ccc(F)cc2F)CCCC1)c1ccc2c(c1)OCC(=O)N2 ZINC000572144418 823290131 /nfs/dbraw/zinc/29/01/31/823290131.db2.gz PLFVGPVZQLADBZ-AWEZNQCLSA-N 1 0 386.442 4.458 20 0 GIADRO CCN(C(=O)N[C@H](C1CC1)C(F)(F)F)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000572159947 823292108 /nfs/dbraw/zinc/29/21/08/823292108.db2.gz KEWGYKSUHMINER-JCGIZDLHSA-N 1 0 383.458 4.194 20 0 GIADRO CCOC(=O)Nc1ccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000007448966 817844257 /nfs/dbraw/zinc/84/42/57/817844257.db2.gz UKXUAHLIALGSSV-UHFFFAOYSA-N 1 0 395.503 4.171 20 0 GIADRO CCCCOc1ccc(CNC(=O)N(C)CC2CC[NH+](C)CC2)cc1Cl ZINC000188726741 823294031 /nfs/dbraw/zinc/29/40/31/823294031.db2.gz KTLRHKRMFKJNPO-UHFFFAOYSA-N 1 0 381.948 4.002 20 0 GIADRO COc1ccccc1CCNC(=O)C[NH2+][C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000007543069 817865255 /nfs/dbraw/zinc/86/52/55/817865255.db2.gz PIUSVFGTOJBTOB-VWLOTQADSA-N 1 0 388.511 4.042 20 0 GIADRO C[C@@H]([NH2+]C[C@H](c1c2ccccc2[nH]c1-c1ccccc1)c1ccccc1)C(N)=O ZINC000007546734 817865581 /nfs/dbraw/zinc/86/55/81/817865581.db2.gz YAFDUXVEHASZHS-UTKZUKDTSA-N 1 0 383.495 4.430 20 0 GIADRO CCS(=O)(=O)c1ccc(N2CCC([NH2+][C@H](C)CCC3CCCC3)CC2)cc1 ZINC000122020222 823294264 /nfs/dbraw/zinc/29/42/64/823294264.db2.gz KSZBTPSGFCEAEF-GOSISDBHSA-N 1 0 392.609 4.398 20 0 GIADRO CCCC[C@@H](C)N(C)C(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000460140651 823294757 /nfs/dbraw/zinc/29/47/57/823294757.db2.gz BXRJMOISZGYZCP-GOSISDBHSA-N 1 0 375.557 4.127 20 0 GIADRO COc1cccc([C@@H](CNC(=S)Nc2ccc(F)c(Cl)c2)[NH+](C)C)c1 ZINC000007581472 817873665 /nfs/dbraw/zinc/87/36/65/817873665.db2.gz FWRWLAIYVVUGFO-QGZVFWFLSA-N 1 0 381.904 4.077 20 0 GIADRO CC[C@@H](C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1)c1c(C)noc1C ZINC000409735042 823294756 /nfs/dbraw/zinc/29/47/56/823294756.db2.gz ZHBQHINEDSYAGP-OAQYLSRUSA-N 1 0 383.536 4.333 20 0 GIADRO CC[C@@H]([NH2+]C1CCN(c2ccc(S(=O)(=O)CC)cc2)CC1)C1CCCCC1 ZINC000122023690 823294751 /nfs/dbraw/zinc/29/47/51/823294751.db2.gz LQKZNHRQIANOID-JOCHJYFZSA-N 1 0 392.609 4.398 20 0 GIADRO Cc1cc([C@H](C)NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c(C)o1 ZINC000460140209 823294813 /nfs/dbraw/zinc/29/48/13/823294813.db2.gz AFTDDFHJWSMALK-YYWHXJBOSA-N 1 0 381.520 4.121 20 0 GIADRO COc1cccc([C@H](CNC(=O)Cc2ccc(-c3ccccc3)cc2)[NH+](C)C)c1 ZINC000007598271 817876401 /nfs/dbraw/zinc/87/64/01/817876401.db2.gz KIIGGNNOUYYXLZ-DEOSSOPVSA-N 1 0 388.511 4.324 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)ccc1OCCO ZINC000122026942 823295360 /nfs/dbraw/zinc/29/53/60/823295360.db2.gz RHBBUIDYYWWDDW-KKSFZXQISA-N 1 0 397.515 4.120 20 0 GIADRO C[C@@H]([NH2+][C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)c1cccc(CO)c1 ZINC000122026199 823295455 /nfs/dbraw/zinc/29/54/55/823295455.db2.gz WAPCUBJYPWUUHD-UZUQRXQVSA-N 1 0 395.524 4.023 20 0 GIADRO Cc1c2ccccc2oc1CNC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000176807083 823297877 /nfs/dbraw/zinc/29/78/77/823297877.db2.gz OWPPBIAONHUWPC-HXUWFJFHSA-N 1 0 391.515 4.405 20 0 GIADRO O=C(Cc1cccc(C(F)(F)F)c1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000007687065 817895432 /nfs/dbraw/zinc/89/54/32/817895432.db2.gz ZMQYKQPBVRHCQO-MRXNPFEDSA-N 1 0 382.451 4.263 20 0 GIADRO O=C(COc1ccc2ccccc2c1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000007687112 817895467 /nfs/dbraw/zinc/89/54/67/817895467.db2.gz AUDICDVSOCAALA-HXUWFJFHSA-N 1 0 380.513 4.233 20 0 GIADRO Cc1cccc(OCCCC(=O)NCc2ccccc2C[NH+]2CCCCC2)c1 ZINC000007696802 817897478 /nfs/dbraw/zinc/89/74/78/817897478.db2.gz CQEPWFWEFPNFGS-UHFFFAOYSA-N 1 0 380.532 4.456 20 0 GIADRO C[NH+](C)CCN(CCCc1ccccc1)C(=O)c1cc(Br)cs1 ZINC000409745043 823297200 /nfs/dbraw/zinc/29/72/00/823297200.db2.gz GHJJIDXQJUSKOZ-UHFFFAOYSA-N 1 0 395.366 4.147 20 0 GIADRO CC(C)[C@@H](NC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1)c1ccc(F)cc1 ZINC000409762923 823301473 /nfs/dbraw/zinc/30/14/73/823301473.db2.gz FXWKQKRKARCPQY-VGOFRKELSA-N 1 0 398.526 4.443 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCCc2occc2C1 ZINC000460160314 823301945 /nfs/dbraw/zinc/30/19/45/823301945.db2.gz DIOHMKWHPUSNFA-GOSISDBHSA-N 1 0 381.520 4.312 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCCc3occc3C2)cc1 ZINC000460163153 823302398 /nfs/dbraw/zinc/30/23/98/823302398.db2.gz BKQKYEDABYQCLA-GOSISDBHSA-N 1 0 381.520 4.312 20 0 GIADRO CN(C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000460163607 823302550 /nfs/dbraw/zinc/30/25/50/823302550.db2.gz AOYIWPPBBDCLQV-BBWFWOEESA-N 1 0 377.495 4.259 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)Nc2ccccc2OC(F)F)c1 ZINC000409766134 823302593 /nfs/dbraw/zinc/30/25/93/823302593.db2.gz SWJPTAXPUVJFPP-UHFFFAOYSA-N 1 0 377.435 4.452 20 0 GIADRO CC[C@H](C)Oc1cccc(NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000057482432 823302621 /nfs/dbraw/zinc/30/26/21/823302621.db2.gz QKDMGPQOEBXLFW-KRWDZBQOSA-N 1 0 382.508 4.045 20 0 GIADRO Cc1csc(SCc2c3ccccc3oc2C(=O)N(C)CC[NH+](C)C)n1 ZINC000176810832 823299064 /nfs/dbraw/zinc/29/90/64/823299064.db2.gz LCICAKUDTNMGTL-UHFFFAOYSA-N 1 0 389.546 4.124 20 0 GIADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cccc(C2CCC2)c1 ZINC000409756119 823300034 /nfs/dbraw/zinc/30/00/34/823300034.db2.gz UFGOOBCHWXNLCP-UHFFFAOYSA-N 1 0 393.531 4.357 20 0 GIADRO C[C@@H]1CN(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)CCC1(F)F ZINC000460167559 823303605 /nfs/dbraw/zinc/30/36/05/823303605.db2.gz JJCRJDFOFJSACJ-RHSMWYFYSA-N 1 0 385.886 4.164 20 0 GIADRO C[C@H]1CN(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)CCC1(F)F ZINC000460167561 823303617 /nfs/dbraw/zinc/30/36/17/823303617.db2.gz JJCRJDFOFJSACJ-YOEHRIQHSA-N 1 0 385.886 4.164 20 0 GIADRO Cc1nc2ccc(C[NH2+]CC3CCN(Cc4nc(C)c(C)o4)CC3)cc2s1 ZINC000572220816 823303774 /nfs/dbraw/zinc/30/37/74/823303774.db2.gz XOMQHHSQGYBCQJ-UHFFFAOYSA-N 1 0 384.549 4.211 20 0 GIADRO CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000460167961 823303979 /nfs/dbraw/zinc/30/39/79/823303979.db2.gz ITDUAKIKEYUOMQ-PBHICJAKSA-N 1 0 395.473 4.293 20 0 GIADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N(C)[C@H]2CC[C@@H](C(F)(F)F)CC2)C1 ZINC000460173737 823305563 /nfs/dbraw/zinc/30/55/63/823305563.db2.gz ZPBKVHJZCRKMRC-VQHPVUNQSA-N 1 0 377.495 4.117 20 0 GIADRO COc1cnccc1[C@@H](C)[NH2+][C@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000188790681 823306287 /nfs/dbraw/zinc/30/62/87/823306287.db2.gz YZVFPQOKXFWZEJ-CHWSQXEVSA-N 1 0 381.398 4.177 20 0 GIADRO O=C(N[C@@H]1CCSc2ccc(F)cc21)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000057514711 823306286 /nfs/dbraw/zinc/30/62/86/823306286.db2.gz BDXQKOUOIGQPNZ-AZUAARDMSA-N 1 0 399.535 4.326 20 0 GIADRO Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000572241102 823306345 /nfs/dbraw/zinc/30/63/45/823306345.db2.gz LVBILWRRDRSRIP-HNNXBMFYSA-N 1 0 384.307 4.402 20 0 GIADRO CC1(C)C[NH2+]CC[C@H]1NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000572241913 823306798 /nfs/dbraw/zinc/30/67/98/823306798.db2.gz OEMLXQHYSXFTIL-MRXNPFEDSA-N 1 0 393.409 4.011 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N(C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000460178625 823307180 /nfs/dbraw/zinc/30/71/80/823307180.db2.gz ZOJKDPLGNVTBHQ-ZACQAIPSSA-N 1 0 377.495 4.404 20 0 GIADRO C[C@H]([NH2+]CC(c1ccccc1)c1ccccc1)C(=O)N1CCc2ccccc2C1 ZINC000011046463 818047692 /nfs/dbraw/zinc/04/76/92/818047692.db2.gz VDMLLUZYWYSYEX-FQEVSTJZSA-N 1 0 384.523 4.382 20 0 GIADRO C[C@H]([NH2+]CC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(Cl)cn1 ZINC000011046511 818047720 /nfs/dbraw/zinc/04/77/20/818047720.db2.gz MSRAROQYROBWJK-INIZCTEOSA-N 1 0 379.891 4.484 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(NC(=O)CC(C)C)ccc2Cl)[C@H](C)C1 ZINC000122111000 823307781 /nfs/dbraw/zinc/30/77/81/823307781.db2.gz MOTOTAQODNWOCM-DNVCBOLYSA-N 1 0 393.959 4.127 20 0 GIADRO CCC(=O)Nc1ccc(C)c(NC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000057542196 823308141 /nfs/dbraw/zinc/30/81/41/823308141.db2.gz OSJNVHQFMWFQOQ-FQEVSTJZSA-N 1 0 394.519 4.130 20 0 GIADRO C[C@@H]1CCCc2ccccc2[C@@H]1[NH2+][C@@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000572291923 823314644 /nfs/dbraw/zinc/31/46/44/823314644.db2.gz ISNKCFLBFZDPCW-UJUVCNOISA-N 1 0 384.545 4.015 20 0 GIADRO COc1cc(CN(C)C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)ccc1SC ZINC000057551507 823309279 /nfs/dbraw/zinc/30/92/79/823309279.db2.gz LTXCTSPBMBLGKP-IBGZPJMESA-N 1 0 384.545 4.040 20 0 GIADRO Cc1c2cccc(C)c2oc1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000409794506 823309391 /nfs/dbraw/zinc/30/93/91/823309391.db2.gz PKNRVCLQCGMOCF-UHFFFAOYSA-N 1 0 376.500 4.487 20 0 GIADRO COc1ccc2c(c1)oc(C(=O)N[C@H]1CC[N@@H+](C3CC3)C1)c2-c1ccccc1 ZINC000057555013 823309481 /nfs/dbraw/zinc/30/94/81/823309481.db2.gz OGWVGVCNCWJZFL-INIZCTEOSA-N 1 0 376.456 4.075 20 0 GIADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC000572263544 823309697 /nfs/dbraw/zinc/30/96/97/823309697.db2.gz JWIOPCDBPDULDR-AYBZRNKSSA-N 1 0 389.337 4.000 20 0 GIADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cc(C)nc4ccccc43)n2CC)CC1 ZINC000460188208 823310284 /nfs/dbraw/zinc/31/02/84/823310284.db2.gz TXVMPDZJKRAWLY-UHFFFAOYSA-N 1 0 392.551 4.132 20 0 GIADRO COCCOc1ccc([C@H](C)[NH2+]Cc2ccc(Br)c(F)c2)cc1 ZINC000122127037 823310386 /nfs/dbraw/zinc/31/03/86/823310386.db2.gz PTAUVGIAVPDAOV-ZDUSSCGKSA-N 1 0 382.273 4.464 20 0 GIADRO COc1cc(CCC2CC[NH+](CC(=O)Nc3ccccc3C)CC2)cc(OC)c1 ZINC000011412585 818079229 /nfs/dbraw/zinc/07/92/29/818079229.db2.gz WPGPMLUOGHPLHM-UHFFFAOYSA-N 1 0 396.531 4.296 20 0 GIADRO Cc1cccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@@H]2CC[C@H](O)C2)c1 ZINC000188810804 823310746 /nfs/dbraw/zinc/31/07/46/823310746.db2.gz IJARRBAHFVFYIR-OFNKIYASSA-N 1 0 375.516 4.157 20 0 GIADRO C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2C(=O)NC2CC[NH+](CCc3ccccc3)CC2)o1 ZINC000409801688 823310942 /nfs/dbraw/zinc/31/09/42/823310942.db2.gz QFXYJEADVOGCGL-XYEHWOGUSA-N 1 0 392.543 4.330 20 0 GIADRO COc1ccccc1OCC[NH2+][C@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000057572287 823311021 /nfs/dbraw/zinc/31/10/21/823311021.db2.gz XYHAWFNDPXNCGY-QHCPKHFHSA-N 1 0 390.483 4.352 20 0 GIADRO CCn1c(-c2ccoc2)nnc1N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000460200865 823314895 /nfs/dbraw/zinc/31/48/95/823314895.db2.gz GDFCYUUXKNSBBD-QHCPKHFHSA-N 1 0 391.519 4.051 20 0 GIADRO CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000460193605 823312012 /nfs/dbraw/zinc/31/20/12/823312012.db2.gz VMXPLBKZJGEYSH-HOJAQTOUSA-N 1 0 399.583 4.221 20 0 GIADRO COc1cc(CN(C)C(=O)NCCCC[NH+]2CCC(C)CC2)ccc1SC ZINC000057613164 823314971 /nfs/dbraw/zinc/31/49/71/823314971.db2.gz QWPZTBDVHWKXMC-UHFFFAOYSA-N 1 0 393.597 4.071 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)N[C@H]1CCSc2ccc(F)cc21)c1cccs1 ZINC000011642124 818102723 /nfs/dbraw/zinc/10/27/23/818102723.db2.gz LHMWWHXMHXZMOF-GJZGRUSLSA-N 1 0 379.526 4.026 20 0 GIADRO CCN(c1nnc(-c2ccccn2)n1CC)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000460194267 823312192 /nfs/dbraw/zinc/31/21/92/823312192.db2.gz BGJNQWWAGVAQHD-UYAOXDASSA-N 1 0 390.535 4.022 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(OC(F)F)cc2)cc1 ZINC000011709969 818111382 /nfs/dbraw/zinc/11/13/82/818111382.db2.gz QRYYJLDWHXBDHR-UONOGXRCSA-N 1 0 378.419 4.365 20 0 GIADRO Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C[NH2+]C[C@@H]1CC[C@@H](O)C1 ZINC000188819455 823312868 /nfs/dbraw/zinc/31/28/68/823312868.db2.gz GVYQNNVCCAWGOW-IUODEOHRSA-N 1 0 387.833 4.104 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@@H]2CCc3sc(Cl)cc32)ccc1S(C)(=O)=O ZINC000572291952 823315091 /nfs/dbraw/zinc/31/50/91/823315091.db2.gz KDKJXOWSNQWQAA-ZWNOBZJWSA-N 1 0 385.938 4.152 20 0 GIADRO C[C@H]1C[NH+](CCC2CCN(C(=O)c3cccc(C4CCC4)c3)CC2)C[C@H](C)O1 ZINC000409810166 823313291 /nfs/dbraw/zinc/31/32/91/823313291.db2.gz RCOCAIUZMQEWQU-OALUTQOASA-N 1 0 384.564 4.306 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3nc(-c4ccccc4)oc3C)cc2)CC1 ZINC000011945883 818131384 /nfs/dbraw/zinc/13/13/84/818131384.db2.gz RGWQHWKVOYHHFD-UHFFFAOYSA-N 1 0 390.487 4.044 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(F)c(F)cc3Cl)cc2)CC1 ZINC000011947701 818131431 /nfs/dbraw/zinc/13/14/31/818131431.db2.gz VCMZTYZOHUSGGZ-UHFFFAOYSA-N 1 0 379.838 4.012 20 0 GIADRO c1csc(-c2nn(Cc3ccccc3)cc2C[NH2+][C@@H]2CCc3nc[nH]c3C2)c1 ZINC000572290996 823314305 /nfs/dbraw/zinc/31/43/05/823314305.db2.gz UNVHUSGOXOXRCS-GOSISDBHSA-N 1 0 389.528 4.030 20 0 GIADRO COC[C@@H]([NH2+]CCc1ccc(OCC(F)(F)F)nc1)c1cccc(Cl)c1 ZINC000572291847 823314346 /nfs/dbraw/zinc/31/43/46/823314346.db2.gz FPNIPCXRAKASBY-MRXNPFEDSA-N 1 0 388.817 4.196 20 0 GIADRO CC(C)OCCOC1CC[NH+](Cc2ccc(OCc3ccccc3)nc2)CC1 ZINC000572300916 823316302 /nfs/dbraw/zinc/31/63/02/823316302.db2.gz QYCKEAPNXSIBRS-UHFFFAOYSA-N 1 0 384.520 4.067 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)c2csc(CCc3ccccc3)n2)cc1 ZINC000409819365 823316305 /nfs/dbraw/zinc/31/63/05/823316305.db2.gz ZLUBBYHWVLOYDZ-UHFFFAOYSA-N 1 0 395.528 4.121 20 0 GIADRO COCC[N@H+](C)CCCNC(=O)Nc1ccccc1Oc1ccc(Cl)cc1 ZINC000409820540 823316537 /nfs/dbraw/zinc/31/65/37/823316537.db2.gz KCIUXPAXMQZKLI-UHFFFAOYSA-N 1 0 391.899 4.222 20 0 GIADRO COc1cc(C)c(C[N@@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)cc1OC ZINC000572325076 823320485 /nfs/dbraw/zinc/32/04/85/823320485.db2.gz SPUQJGUZBGXECN-SFHVURJKSA-N 1 0 392.503 4.177 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)CCOCC(F)(F)C(F)F)cc2)C1 ZINC000188871426 823320720 /nfs/dbraw/zinc/32/07/20/823320720.db2.gz IVICOYQIGOHZIS-AWEZNQCLSA-N 1 0 390.421 4.164 20 0 GIADRO COc1ccc2c(c1)C1(CC1)C[N@@H+](CCCc1nc(-c3cccs3)no1)C2 ZINC000572326232 823320778 /nfs/dbraw/zinc/32/07/78/823320778.db2.gz IAMLNOVJRUAOGU-UHFFFAOYSA-N 1 0 381.501 4.287 20 0 GIADRO CC[NH+](CC)CCOC(=O)c1ccc(NC(=S)N[C@@H](C)c2ccccc2)cc1 ZINC000013749767 818215198 /nfs/dbraw/zinc/21/51/98/818215198.db2.gz YCYWAGWEXTTYMO-KRWDZBQOSA-N 1 0 399.560 4.233 20 0 GIADRO COc1ccccc1NC(=S)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000013767942 818215625 /nfs/dbraw/zinc/21/56/25/818215625.db2.gz ZORRGUCXKRQGDB-UHFFFAOYSA-N 1 0 391.540 4.363 20 0 GIADRO C[NH+](C)C1(CNC(=O)c2cc(-c3cccnc3)nc3ccccc32)CCCCC1 ZINC000014050733 818218337 /nfs/dbraw/zinc/21/83/37/818218337.db2.gz UXDFMXFMOODJPD-UHFFFAOYSA-N 1 0 388.515 4.291 20 0 GIADRO COc1ccc([C@H](C[NH2+]Cc2cccc(Br)c2)N2CCCC2)cc1 ZINC000057681693 823320952 /nfs/dbraw/zinc/32/09/52/823320952.db2.gz MQLAAXMCCYXUSF-FQEVSTJZSA-N 1 0 389.337 4.384 20 0 GIADRO CC(C)c1c(C(=O)Nc2cc(C[NH+](C)C)ccn2)cnn1-c1ccc(Cl)cc1 ZINC000176906369 823321342 /nfs/dbraw/zinc/32/13/42/823321342.db2.gz XIJGIDAUSHWIMV-UHFFFAOYSA-N 1 0 397.910 4.358 20 0 GIADRO COc1ccc(OCC[NH2+]Cc2c(-c3ccccc3)nc3sccn23)cc1 ZINC000014271779 818231814 /nfs/dbraw/zinc/23/18/14/818231814.db2.gz FXNMYVWVSNCYEM-UHFFFAOYSA-N 1 0 379.485 4.240 20 0 GIADRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1cnc(Cl)c(Cl)c1 ZINC000014334721 818235723 /nfs/dbraw/zinc/23/57/23/818235723.db2.gz VMMBUWUTJZPSEB-WMLDXEAASA-N 1 0 376.287 4.145 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2sc3nc(C(F)(F)F)ccc3c2C)[C@H](C)C1 ZINC000122211418 823322150 /nfs/dbraw/zinc/32/21/50/823322150.db2.gz FHILMACAUKZNIM-RISCZKNCSA-N 1 0 399.482 4.426 20 0 GIADRO COc1ccc2[nH]cc(C3CC[NH+](CCOCC(F)(F)C(F)F)CC3)c2c1 ZINC000188882352 823322416 /nfs/dbraw/zinc/32/24/16/823322416.db2.gz GDCXUYFMXDBJFX-UHFFFAOYSA-N 1 0 388.405 4.273 20 0 GIADRO COCC[N@H+](C)CCCC1CCN(Cc2nc3ccccc3n2C(F)F)CC1 ZINC000122214894 823322709 /nfs/dbraw/zinc/32/27/09/823322709.db2.gz FQUCFOROZUUMLE-UHFFFAOYSA-N 1 0 394.510 4.002 20 0 GIADRO CC(C)[C@@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)N([C@@H](C)C(C)C)C3CC3)c2C1 ZINC000188886372 823322909 /nfs/dbraw/zinc/32/29/09/823322909.db2.gz SSWOYJMWCKBZGL-SJORKVTESA-N 1 0 385.552 4.021 20 0 GIADRO CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH2+][C@@H]1CCOc2c(Br)cccc21 ZINC000409845363 823323777 /nfs/dbraw/zinc/32/37/77/823323777.db2.gz YXOKJBKTJYECNG-JJRVBVJISA-N 1 0 395.341 4.042 20 0 GIADRO Cc1cnc(CC[NH2+][C@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)cn1 ZINC000572355061 823326520 /nfs/dbraw/zinc/32/65/20/823326520.db2.gz OEVJJFKTEXILRW-JOCHJYFZSA-N 1 0 395.890 4.131 20 0 GIADRO C[NH+](C)Cc1ccnc(NC(=O)c2cccnc2SCC2CCCCC2)c1 ZINC000176922017 823324969 /nfs/dbraw/zinc/32/49/69/823324969.db2.gz PXWBHMINZWLPSZ-UHFFFAOYSA-N 1 0 384.549 4.463 20 0 GIADRO CC(C)([NH2+]Cc1ccc(-n2ccnc2)nc1)c1ccc(OC(F)(F)F)cc1 ZINC000188899948 823324980 /nfs/dbraw/zinc/32/49/80/823324980.db2.gz BUWAYFYZIGDSJJ-UHFFFAOYSA-N 1 0 376.382 4.191 20 0 GIADRO Fc1ccc(-n2cc(C[NH2+][C@@H]3CCO[C@@H](c4cccs4)C3)nn2)c(Cl)c1 ZINC000572355652 823326593 /nfs/dbraw/zinc/32/65/93/823326593.db2.gz OAVAZHAWNBVDGM-CXAGYDPISA-N 1 0 392.887 4.131 20 0 GIADRO COc1ncccc1NC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000057727733 823325634 /nfs/dbraw/zinc/32/56/34/823325634.db2.gz IWGZTITYGJSSAV-UHFFFAOYSA-N 1 0 390.487 4.141 20 0 GIADRO C[C@@H]([NH2+]C(C)(C)CNC(=O)c1cc(O)ccc1C(F)(F)F)c1ccccc1 ZINC000188909089 823326628 /nfs/dbraw/zinc/32/66/28/823326628.db2.gz NHTNXGXABUWQKB-CYBMUJFWSA-N 1 0 380.410 4.270 20 0 GIADRO CCN(C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)[C@@H]1CCOC(C)(C)C1 ZINC000460233913 823325946 /nfs/dbraw/zinc/32/59/46/823325946.db2.gz DOCQZTXUYRPZNB-PKOBYXMFSA-N 1 0 375.557 4.105 20 0 GIADRO O=C(CSc1nc2ccccc2s1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000015140149 818294428 /nfs/dbraw/zinc/29/44/28/818294428.db2.gz MTHOFNWFQVALGO-UHFFFAOYSA-N 1 0 397.569 4.301 20 0 GIADRO Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@](C)(Cc2ccccc2)[C@@H](C)O)c1C ZINC000188909931 823327065 /nfs/dbraw/zinc/32/70/65/823327065.db2.gz YCHXEWVVMKNXCN-NRYAXDJKSA-N 1 0 382.548 4.240 20 0 GIADRO C[N@H+](CCC(=O)Nc1ccc(N2CCCC2=O)cc1)[C@@H]1CCCc2ccccc21 ZINC000015404710 818321701 /nfs/dbraw/zinc/32/17/01/818321701.db2.gz KJCFRUHTIUNQQP-JOCHJYFZSA-N 1 0 391.515 4.151 20 0 GIADRO COc1ccc(NC(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)cc1F ZINC000057753908 823328657 /nfs/dbraw/zinc/32/86/57/823328657.db2.gz BKGHAKQTJLMHLK-KRWDZBQOSA-N 1 0 391.512 4.491 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(-c2ccc(F)cc2)o1 ZINC000015425566 818324841 /nfs/dbraw/zinc/32/48/41/818324841.db2.gz DEXBYXXUHCSJCD-UHFFFAOYSA-N 1 0 378.447 4.480 20 0 GIADRO CN(C)C(=O)[C@H](c1ccccc1)[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000015489296 818328900 /nfs/dbraw/zinc/32/89/00/818328900.db2.gz XUESIWBJGWOYDD-FQEVSTJZSA-N 1 0 379.529 4.305 20 0 GIADRO CC(C)(Cc1nc2ccccc2[nH]1)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000409861750 823328963 /nfs/dbraw/zinc/32/89/63/823328963.db2.gz ZMHJTMZCURTAIZ-UHFFFAOYSA-N 1 0 396.579 4.246 20 0 GIADRO Cc1nc(-c2ccc(CCNC(=O)c3ccc(CC[NH+](C)C)cc3)cc2)cs1 ZINC000572375715 823329142 /nfs/dbraw/zinc/32/91/42/823329142.db2.gz UPYLROSOARPCON-UHFFFAOYSA-N 1 0 393.556 4.195 20 0 GIADRO O=C(COc1ccc(Cl)c(F)c1)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000572376118 823329540 /nfs/dbraw/zinc/32/95/40/823329540.db2.gz UIBUAMWPFLMJMS-UHFFFAOYSA-N 1 0 376.859 4.135 20 0 GIADRO CC(C)Oc1ccc([C@@H](CNC(=O)c2sccc2OC(F)F)[NH+](C)C)cc1 ZINC000572395220 823332146 /nfs/dbraw/zinc/33/21/46/823332146.db2.gz GDMACWDGZKAGSM-OAHLLOKOSA-N 1 0 398.475 4.169 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1csc(-c2ccc(F)cc2)n1 ZINC000015657941 818356549 /nfs/dbraw/zinc/35/65/49/818356549.db2.gz VXNMWQULOUMXRE-UHFFFAOYSA-N 1 0 395.503 4.344 20 0 GIADRO COc1ccc(CC(C)(C)[NH2+]Cc2ccc(OC(=O)C3CC3)c(OC)c2)cc1 ZINC000188939533 823331096 /nfs/dbraw/zinc/33/10/96/823331096.db2.gz QFHULDXUNGZXFB-UHFFFAOYSA-N 1 0 383.488 4.130 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)CCc2ncc(-c3ccccc3Cl)o2)[C@H](C)C1 ZINC000122284054 823332449 /nfs/dbraw/zinc/33/24/49/823332449.db2.gz JGBAEOPXTLIXJQ-QAPCUYQASA-N 1 0 389.927 4.116 20 0 GIADRO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2nc(Cl)ccc2Cl)CC1 ZINC000016002899 818383821 /nfs/dbraw/zinc/38/38/21/818383821.db2.gz SZUNNZGTOWGIEK-UHFFFAOYSA-N 1 0 399.709 4.046 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)Nc1ccc(Cl)cc1OC(F)F ZINC000460259855 823333484 /nfs/dbraw/zinc/33/34/84/823333484.db2.gz OZRSPUZPTIBLON-AWEZNQCLSA-N 1 0 399.825 4.493 20 0 GIADRO c1[nH]nc(-c2ccccc2)c1C[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000572409428 823334173 /nfs/dbraw/zinc/33/41/73/823334173.db2.gz MTRUTTITJNFSNJ-LJQANCHMSA-N 1 0 384.487 4.241 20 0 GIADRO CCOc1c(Cl)cc(C[NH2+]C[C@]2(CO)C[C@@H]2c2ccccc2)cc1OC ZINC000572412882 823334835 /nfs/dbraw/zinc/33/48/35/823334835.db2.gz BLBGBFAUWLYFBA-UTKZUKDTSA-N 1 0 375.896 4.003 20 0 GIADRO CCc1cccc(CC)c1NC(=S)NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC000016242625 818409653 /nfs/dbraw/zinc/40/96/53/818409653.db2.gz LKDGYNJIJSBPRP-FQEVSTJZSA-N 1 0 385.577 4.409 20 0 GIADRO COc1cccc([C@H](CNC(=S)Nc2ccccc2Cl)[NH+]2CCCC2)c1 ZINC000016244927 818410495 /nfs/dbraw/zinc/41/04/95/818410495.db2.gz AWIZUSAXERKXKY-IBGZPJMESA-N 1 0 389.952 4.472 20 0 GIADRO COc1ccccc1NC(=S)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000016245174 818411013 /nfs/dbraw/zinc/41/10/13/818411013.db2.gz HVVGJEBJNYKVCZ-GOSISDBHSA-N 1 0 389.952 4.472 20 0 GIADRO COc1cccc([C@H](CNC(=S)Nc2cc(C)cc(C)c2)[NH+]2CCCC2)c1 ZINC000016244977 818411072 /nfs/dbraw/zinc/41/10/72/818411072.db2.gz CMGMYCUIWCQZDA-NRFANRHFSA-N 1 0 383.561 4.436 20 0 GIADRO CC(C)[C@@H]([NH2+][C@@H](C)CCCOc1ccccc1C(N)=O)c1nc2ccccc2[nH]1 ZINC000122307033 823335607 /nfs/dbraw/zinc/33/56/07/823335607.db2.gz SPRCCLHUOFOTAP-HRAATJIYSA-N 1 0 394.519 4.196 20 0 GIADRO CC[N@H+](CC(=O)N[C@@H](c1ccc2c(c1)OCCCO2)C(C)C)Cc1ccccc1 ZINC000016337022 818425979 /nfs/dbraw/zinc/42/59/79/818425979.db2.gz DGALSAQCXBSYAX-XMMPIXPASA-N 1 0 396.531 4.183 20 0 GIADRO Cc1nn(Cc2ccccc2Cl)c(C)c1CN1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000572430643 823337623 /nfs/dbraw/zinc/33/76/23/823337623.db2.gz HQUQFPZWRJQGDJ-VXKWHMMOSA-N 1 0 385.939 4.345 20 0 GIADRO CC(C)OCc1ccc(C(=O)N2CCN(c3cc[nH+]c4ccccc43)CC2)cc1 ZINC000572418122 823335903 /nfs/dbraw/zinc/33/59/03/823335903.db2.gz CDSIVYKACNFWFO-UHFFFAOYSA-N 1 0 389.499 4.122 20 0 GIADRO C[N@H+](CCC(=O)NC(=O)Nc1ccccc1)Cc1cccc(Cl)c1Cl ZINC000016376467 818430847 /nfs/dbraw/zinc/43/08/47/818430847.db2.gz QGDAOXOVKUPOCZ-UHFFFAOYSA-N 1 0 380.275 4.164 20 0 GIADRO Cc1cccc(C)c1NC(=O)[C@@H](C)OC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000016402412 818436286 /nfs/dbraw/zinc/43/62/86/818436286.db2.gz KIHFJIFUKXTPDM-LJQANCHMSA-N 1 0 394.515 4.473 20 0 GIADRO CN(CC[NH+](C)C)C(=O)Nc1ccc(Oc2ccc(F)cc2)c2ccncc12 ZINC000176965425 823336575 /nfs/dbraw/zinc/33/65/75/823336575.db2.gz GHNFPSOMQVBJFQ-UHFFFAOYSA-N 1 0 382.439 4.192 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N[C@H]2CCc3cc(N)ccc32)cc1 ZINC000572424880 823336866 /nfs/dbraw/zinc/33/68/66/823336866.db2.gz WJZDCFQTMMIMDG-HXOBKFHXSA-N 1 0 392.547 4.130 20 0 GIADRO Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H](CN(C)C)c1ccc(F)cc1 ZINC000572433279 823338258 /nfs/dbraw/zinc/33/82/58/823338258.db2.gz TYRIKSKPTCKVIF-MGPUTAFESA-N 1 0 391.918 4.397 20 0 GIADRO Cc1cc(N2CCCC2)ccc1NC(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000176970392 823338413 /nfs/dbraw/zinc/33/84/13/823338413.db2.gz IZKSRWBBYFMDMC-UHFFFAOYSA-N 1 0 386.584 4.475 20 0 GIADRO CCOc1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1OC ZINC000176973208 823339546 /nfs/dbraw/zinc/33/95/46/823339546.db2.gz DFUJPILDLFNJHA-YLJYHZDGSA-N 1 0 397.519 4.269 20 0 GIADRO C[NH+](C)Cc1cc(CNC(=O)N2CC[C@H](C(F)(F)F)C(C)(C)C2)ccc1F ZINC000189002190 823340289 /nfs/dbraw/zinc/34/02/89/823340289.db2.gz AHPMLKWTYWCPFM-INIZCTEOSA-N 1 0 389.437 4.007 20 0 GIADRO CSc1ccc(C[NH2+]C[C@@H](O)COc2cccc(C(F)(F)F)c2)s1 ZINC000572447570 823341101 /nfs/dbraw/zinc/34/11/01/823341101.db2.gz ROQOSZVFTGLSIR-GFCCVEGCSA-N 1 0 377.453 4.018 20 0 GIADRO COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C[NH2+]Cc2ccco2)c1 ZINC000017309696 818507209 /nfs/dbraw/zinc/50/72/09/818507209.db2.gz OJTPDNAXERLDRL-UHFFFAOYSA-N 1 0 389.455 4.439 20 0 GIADRO Cc1cc(C)n(CCC[NH2+]Cc2c(C)nn(-c3cc(C)ccc3C)c2Cl)n1 ZINC000017312143 818508693 /nfs/dbraw/zinc/50/86/93/818508693.db2.gz JZNJQXYXWMKENV-UHFFFAOYSA-N 1 0 385.943 4.444 20 0 GIADRO Cc1ccc(C(C)C)cc1OCC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000017362825 818512611 /nfs/dbraw/zinc/51/26/11/818512611.db2.gz WEQAXKOKNQPKMT-UHFFFAOYSA-N 1 0 380.532 4.278 20 0 GIADRO CCCCOc1c(Cl)cc(C(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)cc1OC ZINC000122357810 823343374 /nfs/dbraw/zinc/34/33/74/823343374.db2.gz LADVQGRSFOSILS-MAUKXSAKSA-N 1 0 396.959 4.330 20 0 GIADRO C[C@@H](CCCOc1ccccc1C(N)=O)[NH2+][C@H](c1nccs1)c1ccccc1 ZINC000122348292 823341894 /nfs/dbraw/zinc/34/18/94/823341894.db2.gz BTYUPRUBNWLMTK-JXFKEZNVSA-N 1 0 395.528 4.169 20 0 GIADRO Cc1ccc(C(=O)C2CCN(C(=O)NC[C@@]3([NH+](C)C)CCC[C@@H](C)C3)CC2)cc1 ZINC000057858133 823342499 /nfs/dbraw/zinc/34/24/99/823342499.db2.gz WVILJQSAMZNQJR-NTKDMRAZSA-N 1 0 399.579 4.110 20 0 GIADRO CCc1ccc([C@H](CNC(=O)CCc2nc3ccccc3s2)[NH+](C)C)cc1 ZINC000018017113 818539007 /nfs/dbraw/zinc/53/90/07/818539007.db2.gz SZBHLUCMXGNAPD-IBGZPJMESA-N 1 0 381.545 4.210 20 0 GIADRO C[C@@H]1CN(Cc2ccccc2NC(=O)N[C@@H]2C[C@H]2c2ccccc2F)C[C@H](C)O1 ZINC000572460465 823344394 /nfs/dbraw/zinc/34/43/94/823344394.db2.gz XQJDKVBNTCCVML-CHOVKTHHSA-N 1 0 397.494 4.113 20 0 GIADRO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000189032437 823344949 /nfs/dbraw/zinc/34/49/49/823344949.db2.gz AOOZZQIDCSPRNI-CXAGYDPISA-N 1 0 389.540 4.340 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1C ZINC000176993937 823345192 /nfs/dbraw/zinc/34/51/92/823345192.db2.gz LUPGTFXHTSITFU-OXQOHEQNSA-N 1 0 394.519 4.128 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@@H]2CCN(Cc3ccc(F)cc3)C2=O)ccc1SC ZINC000189034298 823345375 /nfs/dbraw/zinc/34/53/75/823345375.db2.gz NZBMYGZOKQQGIG-RDTXWAMCSA-N 1 0 388.508 4.008 20 0 GIADRO COc1cc(CCC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)ccc1Cl ZINC000122374905 823345756 /nfs/dbraw/zinc/34/57/56/823345756.db2.gz DOYYRHYDXUUZOL-IBGZPJMESA-N 1 0 392.971 4.396 20 0 GIADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)NC[C@@H](c2ccccc2)C(F)(F)F)o1 ZINC000189037464 823346141 /nfs/dbraw/zinc/34/61/41/823346141.db2.gz FZIIIXKVHMEWDM-SFHVURJKSA-N 1 0 397.441 4.007 20 0 GIADRO CCN(c1nnc(-c2ccoc2)n1CC)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000460304070 823346681 /nfs/dbraw/zinc/34/66/81/823346681.db2.gz ODTXLXHCGDHPCE-XLIONFOSSA-N 1 0 379.508 4.220 20 0 GIADRO [NH3+][C@H]1CCc2ncc(NC(=O)N3CCc4ccc(-c5ccccc5)cc4C3)cc2C1 ZINC000572495954 823349497 /nfs/dbraw/zinc/34/94/97/823349497.db2.gz TXASNCBRUNWKRC-QFIPXVFZSA-N 1 0 398.510 4.155 20 0 GIADRO COc1cc(C)c([C@H](C)[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)cc1OC ZINC000189042259 823346994 /nfs/dbraw/zinc/34/69/94/823346994.db2.gz LKRMWTUFMQVNCL-INIZCTEOSA-N 1 0 383.467 4.247 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)Cc3coc4cc(C)ccc34)cc2)CC1 ZINC000018892025 818579379 /nfs/dbraw/zinc/57/93/79/818579379.db2.gz YERUIVHXBWZNPZ-UHFFFAOYSA-N 1 0 377.488 4.064 20 0 GIADRO [NH3+]CCC1CCN(C(=O)N[C@H](c2ccc(Br)cc2)C2CCC2)CC1 ZINC000572489087 823348484 /nfs/dbraw/zinc/34/84/84/823348484.db2.gz BWTSYSNDSQLCJA-SFHVURJKSA-N 1 0 394.357 4.061 20 0 GIADRO C[C@H]([NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccc(Br)s1 ZINC000189050412 823348441 /nfs/dbraw/zinc/34/84/41/823348441.db2.gz LFHHYNNJNDGWQQ-FZMZJTMJSA-N 1 0 397.313 4.101 20 0 GIADRO COc1ccc(Oc2cc(C[NH2+]C[C@H](O)[C@H](C)c3ccccc3)ccn2)cc1 ZINC000572511783 823351961 /nfs/dbraw/zinc/35/19/61/823351961.db2.gz RFQPTMRZVLKIFX-VGSWGCGISA-N 1 0 378.472 4.137 20 0 GIADRO FC(F)(F)CN1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000057975536 823352361 /nfs/dbraw/zinc/35/23/61/823352361.db2.gz GZSRCCYQIOIYIU-QGZVFWFLSA-N 1 0 399.844 4.040 20 0 GIADRO CN(C)[C@@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1)c1ccc(F)cc1 ZINC000572521295 823353370 /nfs/dbraw/zinc/35/33/70/823353370.db2.gz CLVDYUCEYIEBAI-PKTZIBPZSA-N 1 0 381.539 4.215 20 0 GIADRO CCCCCOc1cc(C[NH2+]C2CCN(C(=O)C(C)C)CC2)ccc1OC ZINC000057961854 823351017 /nfs/dbraw/zinc/35/10/17/823351017.db2.gz GFJUQCZAOUHSEU-UHFFFAOYSA-N 1 0 376.541 4.001 20 0 GIADRO COc1cc([C@@H](C)[NH2+]Cc2cccc(NC(=O)C3CCC3)c2)cc(OC)c1OC ZINC000122449627 823356012 /nfs/dbraw/zinc/35/60/12/823356012.db2.gz HEGDKCOPWBOAEQ-OAHLLOKOSA-N 1 0 398.503 4.302 20 0 GIADRO CC1CC[NH+](CCCCNC(=O)NC[C@@H](Cc2ccccc2)C(F)(F)F)CC1 ZINC000572538324 823357158 /nfs/dbraw/zinc/35/71/58/823357158.db2.gz VYIGIXJMGRUQKL-LJQANCHMSA-N 1 0 399.501 4.219 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1cc(O)ccc1C(F)(F)F ZINC000189097860 823357336 /nfs/dbraw/zinc/35/73/36/823357336.db2.gz XNFDNMQVUFKQLM-UHFFFAOYSA-N 1 0 380.410 4.181 20 0 GIADRO CC[C@@H](C)CN(C)c1ccc(F)cc1C[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000572548690 823359066 /nfs/dbraw/zinc/35/90/66/823359066.db2.gz JFPJSMNDMXISBF-DYESRHJHSA-N 1 0 378.532 4.078 20 0 GIADRO CCC(CC)N(CC)C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000460346068 823359562 /nfs/dbraw/zinc/35/95/62/823359562.db2.gz JIOUBXPJUKUJOF-QGZVFWFLSA-N 1 0 392.563 4.249 20 0 GIADRO O=C(COc1ccccc1Cl)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000409980335 823361543 /nfs/dbraw/zinc/36/15/43/823361543.db2.gz XYJVNDNXQUTJST-UHFFFAOYSA-N 1 0 386.923 4.411 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)[C@H](C)C1 ZINC000122482129 823360890 /nfs/dbraw/zinc/36/08/90/823360890.db2.gz XVICQOGRMRVGJH-UTKZUKDTSA-N 1 0 394.519 4.133 20 0 GIADRO FC(F)(F)c1cc(Cl)cc(C[NH2+]CCCc2nnc3n2CCCCC3)c1 ZINC000189129622 823362095 /nfs/dbraw/zinc/36/20/95/823362095.db2.gz INUPNHGDPVZPOH-UHFFFAOYSA-N 1 0 386.849 4.399 20 0 GIADRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+][C@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1 ZINC000460353717 823362133 /nfs/dbraw/zinc/36/21/33/823362133.db2.gz QGMJRTPOCYVQHM-OPYAIIAOSA-N 1 0 382.504 4.161 20 0 GIADRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CC2(CCC2)[C@@H]1C1CC1 ZINC000460357890 823363193 /nfs/dbraw/zinc/36/31/93/823363193.db2.gz AKMXSVRYNRRQON-KKXYHZGYSA-N 1 0 381.564 4.117 20 0 GIADRO C/C(=C\C(=O)N1CCC(OCCC[NH+](C)C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000177083557 823367079 /nfs/dbraw/zinc/36/70/79/823367079.db2.gz GFVSGWPQNCKWMS-FOCLMDBBSA-N 1 0 398.469 4.068 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)Nc1ccc(N(C)C)c(C)c1)[NH+]1CCCC1 ZINC000058125822 823363624 /nfs/dbraw/zinc/36/36/24/823363624.db2.gz LIJNWSBZMKRWLV-OAQYLSRUSA-N 1 0 396.535 4.028 20 0 GIADRO CC(C)C[C@H](CNC(=O)N1CCC(F)(F)[C@@H](C)C1)[NH2+][C@H](C)c1ccccc1 ZINC000460362922 823364085 /nfs/dbraw/zinc/36/40/85/823364085.db2.gz HAZPHWBHNLCVST-YQVWRLOYSA-N 1 0 381.511 4.439 20 0 GIADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)C1 ZINC000409989782 823364369 /nfs/dbraw/zinc/36/43/69/823364369.db2.gz YOWDIIHPDHFTBH-UXHICEINSA-N 1 0 380.532 4.358 20 0 GIADRO C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(Oc3ccc(F)cc3)c3ccncc23)C1 ZINC000572575703 823364313 /nfs/dbraw/zinc/36/43/13/823364313.db2.gz HWBZWLGWXCLQOK-HNNXBMFYSA-N 1 0 394.450 4.239 20 0 GIADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cc(Cl)ccc2SCC)[C@H](C)C1 ZINC000177073082 823364474 /nfs/dbraw/zinc/36/44/74/823364474.db2.gz YTRXTXDVSOKEOF-QAPCUYQASA-N 1 0 399.000 4.319 20 0 GIADRO CCCOc1ccc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1OCC ZINC000022463068 818810462 /nfs/dbraw/zinc/81/04/62/818810462.db2.gz LOCWTWZQIAAUGA-NRFANRHFSA-N 1 0 396.531 4.441 20 0 GIADRO C[C@H]1C[C@H](c2cccnc2)[N@H+](Cc2cccc(C(=O)NCc3ccco3)c2)C1 ZINC000460366954 823365380 /nfs/dbraw/zinc/36/53/80/823365380.db2.gz UGEWPSXHFSBGJH-HTAPYJJXSA-N 1 0 375.472 4.188 20 0 GIADRO C[C@H](NC(=O)C[NH+]1CCC([C@H]2CCCO2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000189155896 823366708 /nfs/dbraw/zinc/36/67/08/823366708.db2.gz XVAJLOVVEDIEAO-SCLBCKFNSA-N 1 0 385.335 4.062 20 0 GIADRO COc1cc(CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)ccc1C ZINC000022619676 818834780 /nfs/dbraw/zinc/83/47/80/818834780.db2.gz NYQOZZZMXUQLMU-FQEVSTJZSA-N 1 0 386.923 4.153 20 0 GIADRO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000572592277 823366710 /nfs/dbraw/zinc/36/67/10/823366710.db2.gz BNQPSHRMPNNYPH-DLTLXFJOSA-N 1 0 385.335 4.336 20 0 GIADRO COc1ccc(NC(=O)[C@@H]([NH2+][C@@H](CCO)C(C)C)c2ccccc2)cc1Cl ZINC000460352962 823361771 /nfs/dbraw/zinc/36/17/71/823361771.db2.gz OQUGELDOOBKFDB-ICSRJNTNSA-N 1 0 390.911 4.025 20 0 GIADRO CC(C)C[C@H]([NH3+])c1noc(Cc2ccc(OCCOc3ccccc3)cc2)n1 ZINC000572601317 823367943 /nfs/dbraw/zinc/36/79/43/823367943.db2.gz FRJFYNFBIMLPGD-FQEVSTJZSA-N 1 0 381.476 4.164 20 0 GIADRO CCCC[NH2+]Cc1ccc(OCC(=O)Nc2ccccc2Cl)c(OC)c1 ZINC000022770552 818858768 /nfs/dbraw/zinc/85/87/68/818858768.db2.gz CWLGTBNASSRDTG-UHFFFAOYSA-N 1 0 376.884 4.256 20 0 GIADRO CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]CC[C@@H]2COc3ccccc3O2)cc1 ZINC000572610924 823368894 /nfs/dbraw/zinc/36/88/94/823368894.db2.gz FUYMFABKAHTUKM-VQIMIIECSA-N 1 0 383.492 4.097 20 0 GIADRO CCNC(=O)COc1ccc(C[NH2+][C@H](C)c2ccc3ccccc3c2)cc1OC ZINC000022782968 818860018 /nfs/dbraw/zinc/86/00/18/818860018.db2.gz HHCXRXKGXHBGIG-QGZVFWFLSA-N 1 0 392.499 4.214 20 0 GIADRO C[C@@H]([NH2+]CCC(=O)N1CCc2ccccc2C1)c1ccc(-c2ccncc2)cc1 ZINC000189167906 823369131 /nfs/dbraw/zinc/36/91/31/823369131.db2.gz VIZDAEKDGVPRGS-LJQANCHMSA-N 1 0 385.511 4.374 20 0 GIADRO COc1ccccc1CCC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000410004896 823369214 /nfs/dbraw/zinc/36/92/14/823369214.db2.gz TTYHTFLAWSLNTE-UHFFFAOYSA-N 1 0 380.532 4.320 20 0 GIADRO Cc1ccc2c(C[N@@H+]3CCCN(Cc4ccc(Cl)cc4)CC3)cc(=O)oc2c1 ZINC000022845036 818866799 /nfs/dbraw/zinc/86/67/99/818866799.db2.gz NEHQFTSMRYXJPI-UHFFFAOYSA-N 1 0 396.918 4.463 20 0 GIADRO CCc1ccc([C@@H](CNC(=O)c2occc2COc2ccccc2)[NH+](C)C)cc1 ZINC000022870778 818868364 /nfs/dbraw/zinc/86/83/64/818868364.db2.gz BSBDVASKJBXQBR-JOCHJYFZSA-N 1 0 392.499 4.454 20 0 GIADRO C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]Cc1noc2ccccc12 ZINC000572617237 823369626 /nfs/dbraw/zinc/36/96/26/823369626.db2.gz WSHNJZCRFBLMTL-LBPRGKRZSA-N 1 0 393.365 4.233 20 0 GIADRO COc1cccc(-c2ccc(C[NH2+]C3CCN(CC(F)(F)F)CC3)cc2)c1 ZINC000122545431 823370093 /nfs/dbraw/zinc/37/00/93/823370093.db2.gz DQJBRJWYYZSPGM-UHFFFAOYSA-N 1 0 378.438 4.479 20 0 GIADRO Cc1cccc(C(=O)Nc2ccccc2C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)c1 ZINC000058230832 823370297 /nfs/dbraw/zinc/37/02/97/823370297.db2.gz QMBNIRZNVWWXKL-MOPGFXCFSA-N 1 0 393.531 4.240 20 0 GIADRO Cc1ccc(-n2ncc(C(=O)NCC[NH+](C(C)C)C(C)C)c2C(F)(F)F)cc1 ZINC000022990467 818885592 /nfs/dbraw/zinc/88/55/92/818885592.db2.gz JNUMWPNOUFZUMV-UHFFFAOYSA-N 1 0 396.457 4.048 20 0 GIADRO OCC1([C@@H]([NH2+]Cc2ccc(Sc3ccccc3)cc2)C2CC2)CCOCC1 ZINC000572623709 823370686 /nfs/dbraw/zinc/37/06/86/823370686.db2.gz VEZNNNDPFBYWQF-QFIPXVFZSA-N 1 0 383.557 4.495 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)c1 ZINC000177100299 823370908 /nfs/dbraw/zinc/37/09/08/823370908.db2.gz BAABLLOSHAJYTC-LJQANCHMSA-N 1 0 395.330 4.185 20 0 GIADRO CN(c1ccccc1)c1ccccc1C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000177099061 823370971 /nfs/dbraw/zinc/37/09/71/823370971.db2.gz WACNQMMGCLUYCF-UHFFFAOYSA-N 1 0 395.547 4.027 20 0 GIADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=S)Nc2ccccc2F)CC1 ZINC000023103304 818897865 /nfs/dbraw/zinc/89/78/65/818897865.db2.gz MHOHIZQKZWZQBU-UHFFFAOYSA-N 1 0 392.931 4.430 20 0 GIADRO Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@@H](Cc1ccccc1)C(F)(F)F ZINC000572632704 823371903 /nfs/dbraw/zinc/37/19/03/823371903.db2.gz OLGTZRYFKVHPTN-MRXNPFEDSA-N 1 0 382.401 4.474 20 0 GIADRO CC[NH+](CC)CCOc1ccc(CNC(=O)C2(c3ccc(F)cc3)CCC2)cc1 ZINC000058258989 823372390 /nfs/dbraw/zinc/37/23/90/823372390.db2.gz ITZDFDPFUQXNPP-UHFFFAOYSA-N 1 0 398.522 4.284 20 0 GIADRO CCCOc1c(Cl)cc(C(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)cc1OCC ZINC000122557922 823372479 /nfs/dbraw/zinc/37/24/79/823372479.db2.gz IXWBRLSAEFIXTK-MAUKXSAKSA-N 1 0 396.959 4.330 20 0 GIADRO Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]Cc1ccccc1CS(C)(=O)=O ZINC000122560679 823372676 /nfs/dbraw/zinc/37/26/76/823372676.db2.gz LETUQXJFGXKDPF-LJQANCHMSA-N 1 0 393.936 4.197 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)c3csc(Cl)c3)CC2)cc1 ZINC000189195036 823373652 /nfs/dbraw/zinc/37/36/52/823373652.db2.gz IGGODXUZDOUMIU-UHFFFAOYSA-N 1 0 378.925 4.052 20 0 GIADRO CN(C)[C@H](C[NH2+]Cc1c(-c2ccccc2)nc2sccn12)c1ccccc1 ZINC000023254609 818917532 /nfs/dbraw/zinc/91/75/32/818917532.db2.gz RUDHTIIQJPKTIU-LJQANCHMSA-N 1 0 376.529 4.455 20 0 GIADRO CSc1ccsc1C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000122594039 823378449 /nfs/dbraw/zinc/37/84/49/823378449.db2.gz LFHNLJOFWKLMIL-UHFFFAOYSA-N 1 0 375.563 4.253 20 0 GIADRO COCCCOC1CC[NH+](Cc2cc(=O)oc3cc(C)c(C(C)C)cc23)CC1 ZINC000122571222 823374689 /nfs/dbraw/zinc/37/46/89/823374689.db2.gz DVIMSCKZYVOUNL-UHFFFAOYSA-N 1 0 387.520 4.242 20 0 GIADRO CC(=O)c1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000023409627 818935604 /nfs/dbraw/zinc/93/56/04/818935604.db2.gz OAHPKBOLOFRQPZ-WBMJQRKESA-N 1 0 382.287 4.287 20 0 GIADRO COc1ccc([C@H](CNC(=O)[C@@H](C)Sc2ccc(C)cc2)[NH+]2CCCC2)cc1 ZINC000023487193 818945852 /nfs/dbraw/zinc/94/58/52/818945852.db2.gz NIUDTFXOVFGSLH-GCJKJVERSA-N 1 0 398.572 4.438 20 0 GIADRO C[NH+](C)CCN(C(=O)c1cc2cc(Br)ccc2o1)c1ccccc1 ZINC000058297415 823375927 /nfs/dbraw/zinc/37/59/27/823375927.db2.gz FOVHAKUQZKJHHJ-UHFFFAOYSA-N 1 0 387.277 4.404 20 0 GIADRO Cc1ccc(NC(=O)[C@@H]([NH2+]CCCOCC2CCOCC2)c2ccccc2)cc1 ZINC000122578787 823376077 /nfs/dbraw/zinc/37/60/77/823376077.db2.gz JZNDHAPRBOGIMH-QHCPKHFHSA-N 1 0 396.531 4.098 20 0 GIADRO FC(F)(F)COc1ccc(C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)cn1 ZINC000122582990 823376520 /nfs/dbraw/zinc/37/65/20/823376520.db2.gz HGZVUFHSIVVDSS-UHFFFAOYSA-N 1 0 390.409 4.279 20 0 GIADRO CCOC(=O)c1sc2nc(C)nc(NC3CC(C)(C)[NH2+]C(C)(C)C3)c2c1C ZINC000023618125 818965844 /nfs/dbraw/zinc/96/58/44/818965844.db2.gz IVMYCHMZHHLDCC-UHFFFAOYSA-N 1 0 390.553 4.206 20 0 GIADRO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[NH2+][C@H](C)c1cccc2ccccc21 ZINC000023676565 818972503 /nfs/dbraw/zinc/97/25/03/818972503.db2.gz LLHUAVIWRYPCFH-UZLBHIALSA-N 1 0 393.483 4.142 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(C(C)(C)c2ccccc2)cc1)c1ccccn1 ZINC000023675480 818972563 /nfs/dbraw/zinc/97/25/63/818972563.db2.gz FLFVAVCMOBPGOU-DENIHFKCSA-N 1 0 390.527 4.498 20 0 GIADRO CC[C@@H]([NH2+]C[C@H](O)COc1ccc(C(C)=O)cc1OC)c1ccc(Cl)cc1 ZINC000023677882 818973265 /nfs/dbraw/zinc/97/32/65/818973265.db2.gz LXHPIQXRVKGDRV-RBUKOAKNSA-N 1 0 391.895 4.032 20 0 GIADRO Cc1cccc(Oc2cc(CNC(=O)N[C@H](C)C[N@H+](C)C(C)C)ccn2)c1C ZINC000460399931 823377071 /nfs/dbraw/zinc/37/70/71/823377071.db2.gz LWVWYIRVVKQSQW-QGZVFWFLSA-N 1 0 384.524 4.019 20 0 GIADRO CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(OC)cc1 ZINC000177124332 823377199 /nfs/dbraw/zinc/37/71/99/823377199.db2.gz ZOALADVJOXQRDQ-NRFANRHFSA-N 1 0 392.503 4.231 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)Nc2ccc3c(c2)C(=O)CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000177128013 823378048 /nfs/dbraw/zinc/37/80/48/823378048.db2.gz JJQNOCFHUMFASH-UTKZUKDTSA-N 1 0 391.515 4.380 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(Br)cc1C(F)(F)F)c1cc[nH]c(=O)c1 ZINC000572668656 823378949 /nfs/dbraw/zinc/37/89/49/823378949.db2.gz NIWGOZCXSKYUOF-VIFPVBQESA-N 1 0 375.188 4.419 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)CCc1ccccc1Cl)[NH+]1CCCC1 ZINC000023979379 819001676 /nfs/dbraw/zinc/00/16/76/819001676.db2.gz BDTPWCNPRCGSLH-FQEVSTJZSA-N 1 0 386.923 4.235 20 0 GIADRO CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)CCC(=O)c1cccs1 ZINC000410047279 823379267 /nfs/dbraw/zinc/37/92/67/823379267.db2.gz GSRODNACCSNUKS-OAQYLSRUSA-N 1 0 398.572 4.300 20 0 GIADRO COc1ccc([C@@H](CNc2nnc(-c3ccccc3)s2)[NH+]2CCCC2)cc1 ZINC000024053362 819016282 /nfs/dbraw/zinc/01/62/82/819016282.db2.gz OJTFEIDCOLBZLH-LJQANCHMSA-N 1 0 380.517 4.463 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)COC(c2ccccc2)c2ccccc2)cc1 ZINC000024066969 819017965 /nfs/dbraw/zinc/01/79/65/819017965.db2.gz VMFGELSEZFTYBY-UHFFFAOYSA-N 1 0 388.511 4.171 20 0 GIADRO COc1ccc([C@H](C)[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)cc1F ZINC000024102348 819023902 /nfs/dbraw/zinc/02/39/02/819023902.db2.gz SPVWIMBLRCXFLU-WCQYABFASA-N 1 0 388.266 4.232 20 0 GIADRO COc1ccc([C@H](C)[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)cc1F ZINC000024102352 819024123 /nfs/dbraw/zinc/02/41/23/819024123.db2.gz SPVWIMBLRCXFLU-AAEUAGOBSA-N 1 0 388.266 4.232 20 0 GIADRO CC[NH+](CC)CCC[C@@H](C)Nc1nc(C)nc2sc(C(=O)OC)c(C)c21 ZINC000024106628 819025360 /nfs/dbraw/zinc/02/53/60/819025360.db2.gz PJFZCHWZGUXBPB-GFCCVEGCSA-N 1 0 378.542 4.017 20 0 GIADRO CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)c1ccc2cc[nH]c2c1 ZINC000410053292 823380977 /nfs/dbraw/zinc/38/09/77/823380977.db2.gz LZQMEIUDDLSBMF-JOCHJYFZSA-N 1 0 375.516 4.371 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)c2nnc(C3CCC3)n2CCc2ccccc2)C[C@@H]1C ZINC000460414459 823381283 /nfs/dbraw/zinc/38/12/83/823381283.db2.gz AWVCZWHTILKARG-GHTZIAJQSA-N 1 0 381.568 4.097 20 0 GIADRO Cc1ccc2cc(C[NH2+]C3CCN(C(=O)c4ccccc4F)CC3)ccc2n1 ZINC000189252129 823381771 /nfs/dbraw/zinc/38/17/71/823381771.db2.gz OLZSYOGLMPUWQO-UHFFFAOYSA-N 1 0 377.463 4.077 20 0 GIADRO Cc1onc(-c2ccccc2Cl)c1C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000024316260 819045160 /nfs/dbraw/zinc/04/51/60/819045160.db2.gz SNWMHDMQCABUTA-UHFFFAOYSA-N 1 0 375.900 4.155 20 0 GIADRO CCC[NH+]1CCC(CNC(=O)C2(Cc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000189255624 823382311 /nfs/dbraw/zinc/38/23/11/823382311.db2.gz MWXFYICJAMVUBW-UHFFFAOYSA-N 1 0 382.470 4.266 20 0 GIADRO C[C@@H]([NH2+]Cc1cnn(Cc2ccc(F)cc2)c1)c1ccc(-n2cccn2)cc1 ZINC000189261256 823382779 /nfs/dbraw/zinc/38/27/79/823382779.db2.gz LAAZVFBQFUEEAW-QGZVFWFLSA-N 1 0 375.451 4.107 20 0 GIADRO CCSc1cccc(Br)c1NC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000572686666 823383104 /nfs/dbraw/zinc/38/31/04/823383104.db2.gz WIDNIASKRYGJPS-VXGBXAGGSA-N 1 0 386.359 4.165 20 0 GIADRO CCc1ccc([C@@H](CNC(=O)c2ccc(C(F)(F)F)nc2C)[NH+](C)C)cc1 ZINC000024552389 819070430 /nfs/dbraw/zinc/07/04/30/819070430.db2.gz HGEKNZWVWRBREQ-QGZVFWFLSA-N 1 0 379.426 4.004 20 0 GIADRO CCCN(CCC[NH+](C)C)C(=O)c1cc(-c2cccnc2)nc2ccccc21 ZINC000189276478 823385305 /nfs/dbraw/zinc/38/53/05/823385305.db2.gz QNEAOFWFFVEXDB-UHFFFAOYSA-N 1 0 376.504 4.101 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2cccc(OCC(C)C)c2)CC1 ZINC000058399781 823386226 /nfs/dbraw/zinc/38/62/26/823386226.db2.gz LODZUUDKSVBJNR-UHFFFAOYSA-N 1 0 380.532 4.424 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)CCOc2cccc(C)c2C)CC1 ZINC000058400180 823386239 /nfs/dbraw/zinc/38/62/39/823386239.db2.gz XHTMAHKUQNWMMB-UHFFFAOYSA-N 1 0 380.532 4.162 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000572705146 823386463 /nfs/dbraw/zinc/38/64/63/823386463.db2.gz OSKZKCGFLJFLSJ-RYQLBKOJSA-N 1 0 384.549 4.024 20 0 GIADRO C[C@H]([NH2+]Cc1cc2ccccc2[nH]c1=O)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000122644601 823387061 /nfs/dbraw/zinc/38/70/61/823387061.db2.gz BGOYCQVCLCQOPE-GAJHUEQPSA-N 1 0 392.499 4.355 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)NCC1CCC(F)(F)CC1 ZINC000410087947 823387244 /nfs/dbraw/zinc/38/72/44/823387244.db2.gz OYJLZOBEWGIHOT-UHFFFAOYSA-N 1 0 379.495 4.297 20 0 GIADRO COc1cc(NC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)cc(OC)c1 ZINC000058413515 823387420 /nfs/dbraw/zinc/38/74/20/823387420.db2.gz QPKODQIFDVCAGC-UHFFFAOYSA-N 1 0 397.519 4.402 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)NC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)cc1 ZINC000572719362 823388363 /nfs/dbraw/zinc/38/83/63/823388363.db2.gz XOGSAWRLDWRIKN-IERDGZPVSA-N 1 0 376.504 4.084 20 0 GIADRO CCN(CC)c1nc2sc(C(=O)NC3CC[NH+](C(C)(C)C)CC3)cc2s1 ZINC000410091231 823388374 /nfs/dbraw/zinc/38/83/74/823388374.db2.gz YNPLXBUCIXLKLZ-UHFFFAOYSA-N 1 0 394.610 4.197 20 0 GIADRO CC(C)(C)[N@@H+]1CCCN(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)CC1 ZINC000058418962 823388523 /nfs/dbraw/zinc/38/85/23/823388523.db2.gz LYLQQGQNLBIEAI-UHFFFAOYSA-N 1 0 387.524 4.456 20 0 GIADRO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@@H](C)CCc1cccn1C ZINC000122651397 823388541 /nfs/dbraw/zinc/38/85/41/823388541.db2.gz RQSTXXIXMXSDIJ-DLBZAZTESA-N 1 0 375.944 4.026 20 0 GIADRO FC(F)(F)c1ccn(-c2ccc(C[N@@H+]3CCC[C@H]3[C@@H]3CCCOC3)cc2)n1 ZINC000572721905 823388709 /nfs/dbraw/zinc/38/87/09/823388709.db2.gz JKLYYZLGTMNRAM-AEFFLSMTSA-N 1 0 379.426 4.282 20 0 GIADRO COc1ccc2[nH]c(C(=O)N(C)[C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)cc2c1 ZINC000189314309 823392131 /nfs/dbraw/zinc/39/21/31/823392131.db2.gz XNNMSBUCTOZXAA-YLJYHZDGSA-N 1 0 391.515 4.302 20 0 GIADRO CSc1ccccc1[C@@H](C)NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000410102475 823392221 /nfs/dbraw/zinc/39/22/21/823392221.db2.gz CLVUUZWDFUVXCU-RLLQIKCJSA-N 1 0 395.572 4.243 20 0 GIADRO Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000177179000 823392396 /nfs/dbraw/zinc/39/23/96/823392396.db2.gz QZQNKDIQYWGZHC-PWSUYJOCSA-N 1 0 394.302 4.312 20 0 GIADRO CC(C)(C)OC(=O)NC[C@@H]([NH2+]CC1=CCCOC1)c1ccc2ccccc2c1 ZINC000122676964 823392495 /nfs/dbraw/zinc/39/24/95/823392495.db2.gz VSJUEDPEVAHVIZ-OAQYLSRUSA-N 1 0 382.504 4.342 20 0 GIADRO COc1ccc(C[NH2+]CCc2nc(C)c(C)s2)cc1OCc1cccnc1 ZINC000122677506 823392612 /nfs/dbraw/zinc/39/26/12/823392612.db2.gz MBFDAQBSOFPCQX-UHFFFAOYSA-N 1 0 383.517 4.075 20 0 GIADRO COc1cccc([C@H](CNC(=O)Nc2ccc3nc(C4CC4)oc3c2)[NH+](C)C)c1 ZINC000177181922 823393017 /nfs/dbraw/zinc/39/30/17/823393017.db2.gz RWXPUXGUUHQZMY-IBGZPJMESA-N 1 0 394.475 4.138 20 0 GIADRO c1ccc(C[N@H+]2CCC[C@]3(CCN(c4nnc(CC5CC5)n4C4CC4)C3)C2)cc1 ZINC000572729808 823389976 /nfs/dbraw/zinc/38/99/76/823389976.db2.gz QGADJPRMHHMSHK-DEOSSOPVSA-N 1 0 391.563 4.058 20 0 GIADRO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)Nc3ccsc3Cl)CC2)C[C@H](C)O1 ZINC000189303427 823390587 /nfs/dbraw/zinc/39/05/87/823390587.db2.gz QNZXIMIJKYDXRB-OKILXGFUSA-N 1 0 385.961 4.145 20 0 GIADRO CC1CC[NH+](C[C@H]2CCCN(C(=O)Nc3cccc(OCCF)c3)C2)CC1 ZINC000122667086 823390914 /nfs/dbraw/zinc/39/09/14/823390914.db2.gz UUMKEFGECYKAFG-GOSISDBHSA-N 1 0 377.504 4.011 20 0 GIADRO O[C@@H](c1ccccc1)C1CC[NH+](CCc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000122668884 823390993 /nfs/dbraw/zinc/39/09/93/823390993.db2.gz FMPDGGBITZBIRR-NRFANRHFSA-N 1 0 397.906 4.378 20 0 GIADRO Cc1cc(OCCC[C@H](C)[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)ccc1Cl ZINC000572738372 823391070 /nfs/dbraw/zinc/39/10/70/823391070.db2.gz BFQHBZOFUYMYLB-BBTUJRGHSA-N 1 0 395.971 4.353 20 0 GIADRO Cc1cccn2c(C[NH2+][C@@H](C)[C@@H](OC3CCOCC3)c3ccccc3)cnc12 ZINC000122671655 823391542 /nfs/dbraw/zinc/39/15/42/823391542.db2.gz BLPVMSKYHGYFEA-PGRDOPGGSA-N 1 0 379.504 4.058 20 0 GIADRO CC[NH+](CC)Cc1cccc(NCc2ccccc2OCC(=O)N2CCCC2)c1 ZINC000122672928 823391686 /nfs/dbraw/zinc/39/16/86/823391686.db2.gz BYIRUTUODOUOQE-UHFFFAOYSA-N 1 0 395.547 4.142 20 0 GIADRO O=C(NCCCn1ccc2ccccc21)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000058467377 823395910 /nfs/dbraw/zinc/39/59/10/823395910.db2.gz BRKDZNVUXIDKEX-HXUWFJFHSA-N 1 0 396.560 4.229 20 0 GIADRO CC(C)(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000572774601 823396854 /nfs/dbraw/zinc/39/68/54/823396854.db2.gz SBIBYFWXSWAUFU-IBGZPJMESA-N 1 0 383.927 4.467 20 0 GIADRO CC(C)(C[NH2+]Cc1ccccc1OCc1ccncc1)c1ccc2c(c1)OCO2 ZINC000058475993 823397280 /nfs/dbraw/zinc/39/72/80/823397280.db2.gz DMMKRLBDQYZLEH-UHFFFAOYSA-N 1 0 390.483 4.457 20 0 GIADRO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCC[C@@H]2c2ccccc2Br)C1 ZINC000122713277 823399174 /nfs/dbraw/zinc/39/91/74/823399174.db2.gz RGDZYSFFOCKKCM-MAUKXSAKSA-N 1 0 394.357 4.028 20 0 GIADRO C[C@H](NC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccc(C(F)(F)F)cc1 ZINC000410137755 823399699 /nfs/dbraw/zinc/39/96/99/823399699.db2.gz XTTYRIKGIXGIQD-KSSFIOAISA-N 1 0 379.426 4.369 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(-n2cccn2)cc1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000122722234 823400472 /nfs/dbraw/zinc/40/04/72/823400472.db2.gz IUXFAZXIDBXERC-DVECYGJZSA-N 1 0 391.515 4.287 20 0 GIADRO CCCCOc1c(Cl)cc(C(=O)Nc2ccccc2C[NH2+]C)cc1OC ZINC000122727022 823401591 /nfs/dbraw/zinc/40/15/91/823401591.db2.gz HVPIIAXDMBLOJC-UHFFFAOYSA-N 1 0 376.884 4.499 20 0 GIADRO COc1ccc([C@@H]([NH2+]C[C@@](C)(O)C(F)(F)F)C(C)C)c(Br)c1 ZINC000572805246 823402463 /nfs/dbraw/zinc/40/24/63/823402463.db2.gz KDBMFNPNAAFIEV-UONOGXRCSA-N 1 0 384.236 4.058 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@H](C)c2ccccc2-n2cccn2)cc(OC)c1OC ZINC000177219835 823402535 /nfs/dbraw/zinc/40/25/35/823402535.db2.gz NWGLFFBBZGPQGD-HZPDHXFCSA-N 1 0 381.476 4.310 20 0 GIADRO O=C(CCOCc1ccccc1)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000572807385 823402863 /nfs/dbraw/zinc/40/28/63/823402863.db2.gz WXESWIIQKNKZDF-QHCPKHFHSA-N 1 0 380.532 4.012 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)CC[NH2+]Cc1ccc2nc(C)ccc2c1 ZINC000189371144 823402904 /nfs/dbraw/zinc/40/29/04/823402904.db2.gz JFODTQWGXXIPOM-UHFFFAOYSA-N 1 0 383.879 4.324 20 0 GIADRO CSC1(CNC(=O)N[C@@H]2CCCc3ccc(C(C)C)cc32)CC[NH+](C)CC1 ZINC000572809236 823403310 /nfs/dbraw/zinc/40/33/10/823403310.db2.gz OGKDLTIWDVZJMW-HXUWFJFHSA-N 1 0 389.609 4.314 20 0 GIADRO Cc1cc(C)n(-c2ccc(C[NH2+][C@H](C)c3ccc(Br)cc3)cn2)n1 ZINC000177227163 823404493 /nfs/dbraw/zinc/40/44/93/823404493.db2.gz LLZFGPPXSKXESI-OAHLLOKOSA-N 1 0 385.309 4.497 20 0 GIADRO CCOC(=O)N1CCC([C@H](C)[NH2+]Cc2ccc(-c3ccncc3)cc2F)CC1 ZINC000189381367 823404892 /nfs/dbraw/zinc/40/48/92/823404892.db2.gz WQPWFKKXBMSZII-INIZCTEOSA-N 1 0 385.483 4.234 20 0 GIADRO O=C(CSc1nc2ccccc2s1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177229163 823405174 /nfs/dbraw/zinc/40/51/74/823405174.db2.gz CWMFSYNGELSXLX-UHFFFAOYSA-N 1 0 389.590 4.302 20 0 GIADRO Cc1cc(Br)ccc1SCC(=O)NCC[NH+](C(C)C)C(C)C ZINC000060626517 823548998 /nfs/dbraw/zinc/54/89/98/823548998.db2.gz QKYYSRPQZVRLLJ-UHFFFAOYSA-N 1 0 387.387 4.085 20 0 GIADRO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccsc2Cl)C1 ZINC000189386212 823405581 /nfs/dbraw/zinc/40/55/81/823405581.db2.gz YGZGRNQGFKYTOC-GFCCVEGCSA-N 1 0 384.958 4.152 20 0 GIADRO COc1ccc2c(c1)[C@H](C(=O)N(C)C[C@H]1CC[N@H+](Cc3ccc(C)s3)C1)CC2 ZINC000572847952 823408891 /nfs/dbraw/zinc/40/88/91/823408891.db2.gz XYQXJDJCWYQIMG-DYESRHJHSA-N 1 0 398.572 4.075 20 0 GIADRO O=C(Cc1ccc(F)c(Br)c1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177255647 823410846 /nfs/dbraw/zinc/41/08/46/823410846.db2.gz WHDMKEJJWGIBHM-UHFFFAOYSA-N 1 0 397.332 4.044 20 0 GIADRO Cc1cccc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C(=O)NCC2CC(F)(F)C2)c1 ZINC000572865764 823411196 /nfs/dbraw/zinc/41/11/96/823411196.db2.gz BKHSHQNPDKDCDU-YADHBBJMSA-N 1 0 398.497 4.372 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)Nc1ccsc1Cl)[NH+]1CCCC1 ZINC000189417703 823411816 /nfs/dbraw/zinc/41/18/16/823411816.db2.gz OXDWJPKCKSRKFN-OAHLLOKOSA-N 1 0 379.913 4.369 20 0 GIADRO COc1cncc(/C=C\CC[NH2+][C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)c1 ZINC000572873897 823412237 /nfs/dbraw/zinc/41/22/37/823412237.db2.gz KZJDMOWWVMIMFV-ZDTYVGOBSA-N 1 0 382.439 4.342 20 0 GIADRO CN1CCC([NH2+]CCc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)CC1 ZINC000177262235 823413060 /nfs/dbraw/zinc/41/30/60/823413060.db2.gz NHQWLGKZHXVPTD-UHFFFAOYSA-N 1 0 394.950 4.419 20 0 GIADRO Clc1ccccc1Cc1nnc(N2CCC(C[NH+]3CCCC3)CC2)n1C1CC1 ZINC000572849084 823409289 /nfs/dbraw/zinc/40/92/89/823409289.db2.gz FKTDHTXRXODVEM-UHFFFAOYSA-N 1 0 399.970 4.169 20 0 GIADRO Clc1cncc(OC2CC[NH+](Cc3ccc(-c4ccccn4)nc3)CC2)c1 ZINC000572853042 823409522 /nfs/dbraw/zinc/40/95/22/823409522.db2.gz VZKYYXNMNKKRLT-UHFFFAOYSA-N 1 0 380.879 4.235 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)c2csc(C(F)(F)F)n2)CC[N@@H+]1Cc1ccccc1 ZINC000189411067 823410445 /nfs/dbraw/zinc/41/04/45/823410445.db2.gz REZRVVVBQKGSMA-ZFWWWQNUSA-N 1 0 397.466 4.287 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)CCc2cccc(N(C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000189411265 823410649 /nfs/dbraw/zinc/41/06/49/823410649.db2.gz RCPDSMSQJPSEHV-HYBUGGRVSA-N 1 0 393.575 4.197 20 0 GIADRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)N(CCC(F)(F)F)CC1CC1 ZINC000177265484 823414435 /nfs/dbraw/zinc/41/44/35/823414435.db2.gz JWHXXULJTUGXBR-UHFFFAOYSA-N 1 0 397.485 4.068 20 0 GIADRO CCN(Cc1ccccn1)C(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000177267046 823415139 /nfs/dbraw/zinc/41/51/39/823415139.db2.gz ARJKPOXMAYSVTK-BGYRXZFFSA-N 1 0 394.563 4.291 20 0 GIADRO Cc1c(Br)cccc1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177268519 823415314 /nfs/dbraw/zinc/41/53/14/823415314.db2.gz BEOZQVROMRRZLK-UHFFFAOYSA-N 1 0 379.342 4.284 20 0 GIADRO Cc1ccc2cc(CNc3ccc(C)c(NC(=O)CC[NH+](C)C)c3)ccc2n1 ZINC000189435597 823415832 /nfs/dbraw/zinc/41/58/32/823415832.db2.gz UILSRSNKZMHIMP-UHFFFAOYSA-N 1 0 376.504 4.354 20 0 GIADRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)Nc1ccc2c(c1)C(=O)CCC2 ZINC000177289431 823422460 /nfs/dbraw/zinc/42/24/60/823422460.db2.gz ABMAGQCCIPTAIR-MRXNPFEDSA-N 1 0 397.544 4.301 20 0 GIADRO C[N@H+](Cc1ccc(-n2ccnc2)nc1)CC1(c2ccc(Br)cc2)CC1 ZINC000177290337 823422762 /nfs/dbraw/zinc/42/27/62/823422762.db2.gz PRSSLFFRFLEZBH-UHFFFAOYSA-N 1 0 397.320 4.193 20 0 GIADRO Cc1nc(NC(=O)N2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)oc1C ZINC000572933342 823422862 /nfs/dbraw/zinc/42/28/62/823422862.db2.gz MQSSLEFSOCKYKQ-HXUWFJFHSA-N 1 0 396.535 4.446 20 0 GIADRO CC[NH+](CC)CCOC1CCN(C(=O)N[C@@H](c2ccc(F)cc2)C(C)C)CC1 ZINC000410218615 823422998 /nfs/dbraw/zinc/42/29/98/823422998.db2.gz XIWBNOFWTYLKGF-OAQYLSRUSA-N 1 0 393.547 4.055 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)C2CCCCC2)C1)c1cccc(Br)c1 ZINC000410223120 823424190 /nfs/dbraw/zinc/42/41/90/823424190.db2.gz BMFUMCGPXOYNCW-KBXCAEBGSA-N 1 0 379.342 4.281 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCCC1)N[C@@H]1CCCC[C@H]1OC(F)F ZINC000410205276 823419591 /nfs/dbraw/zinc/41/95/91/823419591.db2.gz IVIBJUYRXZKUIX-RTBURBONSA-N 1 0 395.494 4.022 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CC[C@@H](c2ccccc2)[C@H]1C ZINC000177283392 823420725 /nfs/dbraw/zinc/42/07/25/823420725.db2.gz GISQLYMCHPYEPG-DENIHFKCSA-N 1 0 392.547 4.157 20 0 GIADRO O=C(Cc1cccc(OCc2ccccc2Cl)c1)NCCC[C@H]1CCC[NH2+]1 ZINC000572952460 823425985 /nfs/dbraw/zinc/42/59/85/823425985.db2.gz SWMZOWNLBYZLDJ-LJQANCHMSA-N 1 0 386.923 4.110 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)CCCc1nnc(-c2ccccc2)o1 ZINC000177304315 823427387 /nfs/dbraw/zinc/42/73/87/823427387.db2.gz NNLXYUZPKMSJIN-UHFFFAOYSA-N 1 0 378.476 4.068 20 0 GIADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)CSc2ccc(Cl)cc2)CC1 ZINC000122878296 823427767 /nfs/dbraw/zinc/42/77/67/823427767.db2.gz HDJNESOSVPRNNU-UHFFFAOYSA-N 1 0 378.925 4.148 20 0 GIADRO C[C@H](NC(=O)[C@H](c1ccc(Cl)cc1)N(C)C)c1nc(C2CCCCC2)no1 ZINC000572971343 823428280 /nfs/dbraw/zinc/42/82/80/823428280.db2.gz BEQOUDJZZVXSGB-GUYCJALGSA-N 1 0 390.915 4.251 20 0 GIADRO CC[NH+]1CCN(c2ccc(C(=O)N[C@@H](C)c3ccc(SC)cc3)cc2)CC1 ZINC000410237047 823429935 /nfs/dbraw/zinc/42/99/35/823429935.db2.gz IHHKGRQLKAKIOO-KRWDZBQOSA-N 1 0 383.561 4.041 20 0 GIADRO COc1ccc(-c2ccccc2C)cc1C[NH+]1CCC([C@@H]2NC(=O)C2(C)C)CC1 ZINC000572985692 823430407 /nfs/dbraw/zinc/43/04/07/823430407.db2.gz LNRGOUWKAPBPMN-QHCPKHFHSA-N 1 0 392.543 4.407 20 0 GIADRO CCN(CCC[NH+]1CCCC1)C(=O)Nc1cccc(NC(=O)c2ccccc2)c1 ZINC000189498370 823431346 /nfs/dbraw/zinc/43/13/46/823431346.db2.gz MGBSGCAKDAYVCB-UHFFFAOYSA-N 1 0 394.519 4.279 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1csc(Cc2ccc(F)cc2)n1 ZINC000177327189 823434803 /nfs/dbraw/zinc/43/48/03/823434803.db2.gz DHYHFSBQYLEUTA-UHFFFAOYSA-N 1 0 383.492 4.495 20 0 GIADRO CCS[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N[C@H](c1nccs1)c1ccccc1 ZINC000189511278 823434040 /nfs/dbraw/zinc/43/40/40/823434040.db2.gz BFQFGCJKMPPKAY-LMMKCTJWSA-N 1 0 389.590 4.003 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1cn(C)nc1-c1ccccc1Cl ZINC000177327394 823434851 /nfs/dbraw/zinc/43/48/51/823434851.db2.gz NDTPWUKPCGBQJR-UHFFFAOYSA-N 1 0 382.895 4.363 20 0 GIADRO C[NH+](C)Cc1ccccc1NC(=O)c1csc(COc2ccc(F)cc2)n1 ZINC000024808596 819879915 /nfs/dbraw/zinc/87/99/15/819879915.db2.gz VVOUBRKPCMXOAG-UHFFFAOYSA-N 1 0 385.464 4.175 20 0 GIADRO COCCc1ccccc1NC(=O)N1CC[NH+](C2CCC(C(C)C)CC2)CC1 ZINC000189518323 823435634 /nfs/dbraw/zinc/43/56/34/823435634.db2.gz WYXBRQFUGLHQOY-UHFFFAOYSA-N 1 0 387.568 4.240 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)CCc2c(C)nc(SC)nc2C)c1 ZINC000024926433 819896446 /nfs/dbraw/zinc/89/64/46/819896446.db2.gz NRMOGFUOJMFDSN-UHFFFAOYSA-N 1 0 386.565 4.228 20 0 GIADRO CC[C@H](NC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C)c1ccccc1OC(F)F ZINC000573033621 823437550 /nfs/dbraw/zinc/43/75/50/823437550.db2.gz MVIHPSQTDLFNIL-VYDXJSESSA-N 1 0 381.467 4.007 20 0 GIADRO CN(CC1([NH+](C)C)CCC1)C(=O)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000189525039 823437635 /nfs/dbraw/zinc/43/76/35/823437635.db2.gz AJPUDOKGESPGNY-DLBZAZTESA-N 1 0 383.561 4.289 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1CCCCN1Cc1ccc(F)cc1 ZINC000177343602 823440517 /nfs/dbraw/zinc/44/05/17/823440517.db2.gz KFJOLFXFAZLUDL-QFIPXVFZSA-N 1 0 383.511 4.189 20 0 GIADRO CC[C@H](NC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C)c1ccccc1OC(F)F ZINC000573033622 823437658 /nfs/dbraw/zinc/43/76/58/823437658.db2.gz MVIHPSQTDLFNIL-ZOBUZTSGSA-N 1 0 381.467 4.007 20 0 GIADRO Cc1ccc(Nc2ccccc2C(=O)N2CCC(OCCC[NH+](C)C)CC2)cc1 ZINC000573036755 823437739 /nfs/dbraw/zinc/43/77/39/823437739.db2.gz PONPVZQSPFXBSB-UHFFFAOYSA-N 1 0 395.547 4.312 20 0 GIADRO CC(C)OC1CC([NH2+]CC2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000189528980 823438375 /nfs/dbraw/zinc/43/83/75/823438375.db2.gz VJJMSIJJJOYNSD-UHFFFAOYSA-N 1 0 382.342 4.043 20 0 GIADRO Cn1cc(CC[NH2+]C2CCN(C(=O)C(C)(C)C)CC2)c2ccc(Cl)cc21 ZINC000189530820 823438684 /nfs/dbraw/zinc/43/86/84/823438684.db2.gz UNTZCLLEYRLZFH-UHFFFAOYSA-N 1 0 375.944 4.001 20 0 GIADRO CCN(CCC[NH+]1CCCC1)C(=O)Nc1ccc(NC(=O)c2ccco2)c(C)c1 ZINC000189533479 823439152 /nfs/dbraw/zinc/43/91/52/823439152.db2.gz BNNJIQAWFFZPAX-UHFFFAOYSA-N 1 0 398.507 4.180 20 0 GIADRO CC[C@@H](CO)[N@H+](Cc1cc(Br)c(OC)s1)Cc1ccccc1 ZINC000573045504 823439299 /nfs/dbraw/zinc/43/92/99/823439299.db2.gz QYVWURSHYZHWEQ-AWEZNQCLSA-N 1 0 384.339 4.292 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)COc3ccccc3C(C)C)c(C)c2)CC1 ZINC000025186503 819940544 /nfs/dbraw/zinc/94/05/44/819940544.db2.gz YELQIUZBDODQNP-UHFFFAOYSA-N 1 0 395.547 4.278 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCSc2ccc(Cl)cc21)C(=O)NC(=O)Nc1ccccc1 ZINC000025217200 819944722 /nfs/dbraw/zinc/94/47/22/819944722.db2.gz CPEGYXHTMMHRNW-WBMJQRKESA-N 1 0 389.908 4.203 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCSc2ccc(Cl)cc21)C(=O)NCc1ccc(F)cc1 ZINC000025216871 819944768 /nfs/dbraw/zinc/94/47/68/819944768.db2.gz AENUQDDKSUQONQ-YVEFUNNKSA-N 1 0 378.900 4.311 20 0 GIADRO COc1cc(Br)ccc1C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000177343872 823440772 /nfs/dbraw/zinc/44/07/72/823440772.db2.gz OILMOYBQBDZQNK-UHFFFAOYSA-N 1 0 377.282 4.080 20 0 GIADRO Cc1nccn1-c1ccc(C[NH2+]CCC(=O)Nc2cccc(Cl)c2)cc1F ZINC000573054710 823441173 /nfs/dbraw/zinc/44/11/73/823441173.db2.gz XCPKVVSDVLBAJZ-UHFFFAOYSA-N 1 0 386.858 4.092 20 0 GIADRO O[C@H](COCc1ccccc1F)C[N@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000025287955 819955806 /nfs/dbraw/zinc/95/58/06/819955806.db2.gz QIHLLSNWLOUJEQ-UPVQGACJSA-N 1 0 391.486 4.351 20 0 GIADRO COc1ccc([C@H]2CCCCC[N@@H+]2C[C@@H](O)COCc2ccccc2OC)cc1 ZINC000025302188 819958106 /nfs/dbraw/zinc/95/81/06/819958106.db2.gz RRJZFHUWNWFZGT-FYYLOGMGSA-N 1 0 399.531 4.199 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1ccc(OCc2ccccc2)cc1)c1ccsc1 ZINC000025328769 819962883 /nfs/dbraw/zinc/96/28/83/819962883.db2.gz VYQBZEITZQXKPH-NRFANRHFSA-N 1 0 380.513 4.360 20 0 GIADRO C[C@H]1CCc2[nH]c3ccc(C(=O)NC[C@@H](c4ccsc4)[NH+](C)C)cc3c2C1 ZINC000025328804 819963076 /nfs/dbraw/zinc/96/30/76/819963076.db2.gz MIVWDCVZYXGGLI-QKKBWIMNSA-N 1 0 381.545 4.387 20 0 GIADRO CCc1c(C(=O)Nc2cc(C[NH+](C)C)ccc2C)cnn1-c1ccc(F)cc1 ZINC000177348005 823441834 /nfs/dbraw/zinc/44/18/34/823441834.db2.gz UJJRWQFOVNPDAM-UHFFFAOYSA-N 1 0 380.467 4.196 20 0 GIADRO Cc1ccc(-c2cnc(CCC(=O)NC[C@H](c3ccsc3)[NH+](C)C)o2)cc1 ZINC000025331708 819964707 /nfs/dbraw/zinc/96/47/07/819964707.db2.gz BCGFQMMGZHEDTC-GOSISDBHSA-N 1 0 383.517 4.063 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1ccccc1NC(=O)c1cccs1)c1ccsc1 ZINC000025332206 819964823 /nfs/dbraw/zinc/96/48/23/819964823.db2.gz PMQFVBVDQPHQHJ-KRWDZBQOSA-N 1 0 399.541 4.095 20 0 GIADRO O=C(CC[N@H+](Cc1ccco1)Cc1ccccc1)NC(=O)Nc1ccccc1 ZINC000025366429 819970503 /nfs/dbraw/zinc/97/05/03/819970503.db2.gz BURZPGHXFYMDLX-UHFFFAOYSA-N 1 0 377.444 4.020 20 0 GIADRO Cc1ccc2nc(C)c(C(=O)NC[C@@H](c3cccs3)[NH+]3CCCC3)cc2c1 ZINC000025383714 819973872 /nfs/dbraw/zinc/97/38/72/819973872.db2.gz LNCAXDXEPJFHFU-FQEVSTJZSA-N 1 0 379.529 4.480 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc2c(cccc2OC(F)F)[nH]1 ZINC000025432645 819978364 /nfs/dbraw/zinc/97/83/64/819978364.db2.gz GZQQNUXWAMSYSS-UHFFFAOYSA-N 1 0 399.441 4.164 20 0 GIADRO Cc1ccnc(Oc2ccc(NC(=O)[C@@H]3CCC[N@@H+]3Cc3ccccc3)cc2)n1 ZINC000177351878 823442858 /nfs/dbraw/zinc/44/28/58/823442858.db2.gz OPLPFIVWEGCJGX-NRFANRHFSA-N 1 0 388.471 4.180 20 0 GIADRO CC(C)(CNC(=O)c1csc(Br)c1)[N@@H+]1CCc2ccccc2C1 ZINC000025465105 819986502 /nfs/dbraw/zinc/98/65/02/819986502.db2.gz KNHYSYRMOMOIAA-UHFFFAOYSA-N 1 0 393.350 4.077 20 0 GIADRO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000573068963 823443402 /nfs/dbraw/zinc/44/34/02/823443402.db2.gz PKLZWCBPEXIESI-FZMZJTMJSA-N 1 0 382.348 4.252 20 0 GIADRO CO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)C12CCC2 ZINC000573070380 823443480 /nfs/dbraw/zinc/44/34/80/823443480.db2.gz PNDRMZZNHPQRNC-CDHQVMDDSA-N 1 0 377.550 4.011 20 0 GIADRO CCN(CCC[NH+]1CCCC1)C(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000189569789 823446531 /nfs/dbraw/zinc/44/65/31/823446531.db2.gz SDDYCXDFSNQWFR-UHFFFAOYSA-N 1 0 390.528 4.373 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1nc(C(C)C)n(-c2cccc(F)c2)n1 ZINC000177358612 823444543 /nfs/dbraw/zinc/44/45/43/823444543.db2.gz RXALODPBSJIVQW-UHFFFAOYSA-N 1 0 395.482 4.152 20 0 GIADRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)CCOCC(F)(F)C(F)(F)F ZINC000189562295 823444605 /nfs/dbraw/zinc/44/46/05/823444605.db2.gz NHAHXTQGMLFFLY-UHFFFAOYSA-N 1 0 394.384 4.134 20 0 GIADRO C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000573082585 823445259 /nfs/dbraw/zinc/44/52/59/823445259.db2.gz KKUBWEHMMJKRGS-GFCCVEGCSA-N 1 0 397.466 4.446 20 0 GIADRO CC(C)(C)c1cnc(CCC(=O)N2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)o1 ZINC000573083509 823445667 /nfs/dbraw/zinc/44/56/67/823445667.db2.gz VSJIFOQBZLZBSC-UXHICEINSA-N 1 0 397.563 4.103 20 0 GIADRO COc1ccc(-c2cc(C[N@H+](C)[C@@H](C)c3ccc(-n4cncn4)cc3)on2)cc1 ZINC000025816187 820028333 /nfs/dbraw/zinc/02/83/33/820028333.db2.gz AZKFCIOJWHOMTG-INIZCTEOSA-N 1 0 389.459 4.124 20 0 GIADRO Cc1cc(C)n(-c2ccc(C(=O)Nc3cc(C[NH+](C)C)ccc3C)cc2F)n1 ZINC000177365245 823446170 /nfs/dbraw/zinc/44/61/70/823446170.db2.gz TZQDGQKLPVJLLB-UHFFFAOYSA-N 1 0 380.467 4.251 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000573100719 823447447 /nfs/dbraw/zinc/44/74/47/823447447.db2.gz IOCNIIKOVVATHO-KGVIQGDOSA-N 1 0 377.532 4.275 20 0 GIADRO CC[N@H+](CCC(=O)Nc1ccc(Cl)cc1F)Cc1ccc(OC)c(OC)c1 ZINC000025936074 820042347 /nfs/dbraw/zinc/04/23/47/820042347.db2.gz TWUWHOHXBLDPKR-UHFFFAOYSA-N 1 0 394.874 4.347 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@H](c1ccco1)N1CCCC1)CC3 ZINC000123013780 823448236 /nfs/dbraw/zinc/44/82/36/823448236.db2.gz FCIKLCBNBLUVFL-OPAMFIHVSA-N 1 0 379.504 4.054 20 0 GIADRO CC(C)(C)OC(=O)N1Cc2ccc(C[NH2+]Cc3ccc4c[nH]nc4c3)cc2C1 ZINC000189576049 823448378 /nfs/dbraw/zinc/44/83/78/823448378.db2.gz SJGZIWPZLAZARZ-UHFFFAOYSA-N 1 0 378.476 4.103 20 0 GIADRO Cc1csc(CCCC[NH2+]Cc2cccc(I)c2)n1 ZINC000573112550 823449120 /nfs/dbraw/zinc/44/91/20/823449120.db2.gz DODJCBYTUPUJGL-UHFFFAOYSA-N 1 0 386.302 4.169 20 0 GIADRO C[N@H+](Cc1ccccc1NS(=O)(=O)c1cccc(F)c1)C1CCCCC1 ZINC000026094019 820056973 /nfs/dbraw/zinc/05/69/73/820056973.db2.gz HVKNGFYZHWRGAR-UHFFFAOYSA-N 1 0 376.497 4.391 20 0 GIADRO C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000177378745 823449296 /nfs/dbraw/zinc/44/92/96/823449296.db2.gz BXWXPIQXAMYDCC-HZPDHXFCSA-N 1 0 377.960 4.348 20 0 GIADRO FC(F)Oc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CCN(Cc2cccnc2)CC1 ZINC000123022081 823449527 /nfs/dbraw/zinc/44/95/27/823449527.db2.gz UVXZZMAFBXDDKW-NRFANRHFSA-N 1 0 387.474 4.315 20 0 GIADRO FC(F)(F)c1ccc(-n2cc(C[N@@H+]3CC4(CCOCC4)[C@H]3C3CC3)cn2)cc1 ZINC000573116253 823449559 /nfs/dbraw/zinc/44/95/59/823449559.db2.gz ZLQPRXOBGFRRSR-LJQANCHMSA-N 1 0 391.437 4.282 20 0 GIADRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)CCCc2ccc(Br)s2)C[C@@H](C)C1 ZINC000573118888 823449806 /nfs/dbraw/zinc/44/98/06/823449806.db2.gz TYBGFHJBBCVHBZ-LZWOXQAQSA-N 1 0 399.398 4.022 20 0 GIADRO C[C@@H](c1ccc(F)cc1)N(C)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000026164755 820065491 /nfs/dbraw/zinc/06/54/91/820065491.db2.gz YRERWRWIEKGTHE-KRWDZBQOSA-N 1 0 383.511 4.365 20 0 GIADRO COCCc1ccccc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000189589442 823453470 /nfs/dbraw/zinc/45/34/70/823453470.db2.gz OOGSAWGXMICGAU-RXVVDRJESA-N 1 0 381.520 4.050 20 0 GIADRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000410288355 823450369 /nfs/dbraw/zinc/45/03/69/823450369.db2.gz MVWFPXLKIGBDRM-FUPPJEDESA-N 1 0 383.580 4.352 20 0 GIADRO CCSc1cc(C[NH2+]Cc2ccc(OC)c(OCc3cccnc3)c2)ccn1 ZINC000189581465 823451022 /nfs/dbraw/zinc/45/10/22/823451022.db2.gz GBNCXZCECYCEAU-UHFFFAOYSA-N 1 0 395.528 4.466 20 0 GIADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)C1 ZINC000189581523 823451091 /nfs/dbraw/zinc/45/10/91/823451091.db2.gz JVEFHVQDZGBLSH-CYBMUJFWSA-N 1 0 382.382 4.011 20 0 GIADRO CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1Cl)C[C@@H](O)Cc1ccccc1 ZINC000026338055 820085614 /nfs/dbraw/zinc/08/56/14/820085614.db2.gz UJGGYHRPVSRGHD-KRWDZBQOSA-N 1 0 395.330 4.248 20 0 GIADRO CCC(CC)n1nc(C)cc1C(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000573130568 823451625 /nfs/dbraw/zinc/45/16/25/823451625.db2.gz IFBIOVZPWDLUKC-KRWDZBQOSA-N 1 0 390.959 4.281 20 0 GIADRO COc1cc(C(=O)Nc2ccc(C[NH+]3CCSCC3)cc2C)ccc1Cl ZINC000123042737 823452236 /nfs/dbraw/zinc/45/22/36/823452236.db2.gz WUXDVTPWUOXBBC-UHFFFAOYSA-N 1 0 390.936 4.458 20 0 GIADRO CCSc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)ccn1 ZINC000189586920 823452746 /nfs/dbraw/zinc/45/27/46/823452746.db2.gz OEUJMAJKGINIQI-ALOPSCKCSA-N 1 0 377.554 4.214 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000026567931 820115275 /nfs/dbraw/zinc/11/52/75/820115275.db2.gz PXWDYBKHWXWMCG-UHFFFAOYSA-N 1 0 395.547 4.062 20 0 GIADRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+]C3CCC(C(F)(F)F)CC3)cc2)C[C@@H](C)O1 ZINC000123060166 823455140 /nfs/dbraw/zinc/45/51/40/823455140.db2.gz VKNFPYRASWJYMT-QAQJPARQSA-N 1 0 398.469 4.147 20 0 GIADRO Cc1ccc(-n2ncc(C(=O)NC3CC[NH+](C4CCCC4)CC3)c2C(C)C)cc1 ZINC000177408599 823455116 /nfs/dbraw/zinc/45/51/16/823455116.db2.gz DEAYAVHWKQISAA-UHFFFAOYSA-N 1 0 394.563 4.441 20 0 GIADRO COc1ccc(C[C@@H](C)CN(C)C(=O)c2oc3ccccc3c2C[NH+](C)C)cc1 ZINC000123060779 823455416 /nfs/dbraw/zinc/45/54/16/823455416.db2.gz INTZLZFKMBMZHR-QGZVFWFLSA-N 1 0 394.515 4.454 20 0 GIADRO COc1ccc(OC)c([C@@H](C)[NH2+]C[C@@H](O)COc2ccc(C(C)(C)C)cc2)c1 ZINC000026714960 820136206 /nfs/dbraw/zinc/13/62/06/820136206.db2.gz TZNBITWAXSXPAO-SJLPKXTDSA-N 1 0 387.520 4.092 20 0 GIADRO C[C@H](Sc1ccc(F)c(F)c1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000026837907 820151575 /nfs/dbraw/zinc/15/15/75/820151575.db2.gz WDKATVLLNMRLIZ-HNNXBMFYSA-N 1 0 390.499 4.226 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)CCc3c[nH]c4ccccc34)c(C)c2)CC1 ZINC000026908795 820162615 /nfs/dbraw/zinc/16/26/15/820162615.db2.gz SREGXSWNDRXDMD-UHFFFAOYSA-N 1 0 390.531 4.190 20 0 GIADRO Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]CC1(N2CCCCC2)CCOCC1 ZINC000573162666 823457678 /nfs/dbraw/zinc/45/76/78/823457678.db2.gz MMFNCXDFDLHEDO-QFIPXVFZSA-N 1 0 381.564 4.478 20 0 GIADRO COC(=O)[C@H](C)[C@@H]([NH2+]CC(=O)Nc1c(Cl)cccc1Cl)c1ccccc1 ZINC000177418341 823457994 /nfs/dbraw/zinc/45/79/94/823457994.db2.gz QPLLIWHUBAXHHY-SJKOYZFVSA-N 1 0 395.286 4.072 20 0 GIADRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)Nc1ccccc1Br ZINC000058823506 823459663 /nfs/dbraw/zinc/45/96/63/823459663.db2.gz SZUYFMMPAXKMOZ-SFHVURJKSA-N 1 0 388.309 4.408 20 0 GIADRO CCCc1nc(C)c(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)s1 ZINC000058818973 823458439 /nfs/dbraw/zinc/45/84/39/823458439.db2.gz IQNLZKKNKJHSCG-UHFFFAOYSA-N 1 0 391.968 4.452 20 0 GIADRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CC2(CCC2)[C@H]1C1CC1 ZINC000460623995 823458978 /nfs/dbraw/zinc/45/89/78/823458978.db2.gz XSPCFCOZDTYZIG-NHCUHLMSSA-N 1 0 381.564 4.261 20 0 GIADRO CC1(C2CC2)CC[NH+](CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)CC1 ZINC000573169552 823459004 /nfs/dbraw/zinc/45/90/04/823459004.db2.gz JLFXMIHBMRUESW-HXUWFJFHSA-N 1 0 398.547 4.024 20 0 GIADRO FC(F)(F)C1CCC([NH2+]C[C@@H](c2ccc(Cl)cc2)N2CCOCC2)CC1 ZINC000123083102 823459195 /nfs/dbraw/zinc/45/91/95/823459195.db2.gz LVMLEYOWAOSYHW-VJFUWPCTSA-N 1 0 390.877 4.424 20 0 GIADRO O=C(N[C@H](c1ccccc1)C(F)(F)F)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000058827292 823459976 /nfs/dbraw/zinc/45/99/76/823459976.db2.gz CRBMJLHTDFVYQK-RBUKOAKNSA-N 1 0 376.422 4.318 20 0 GIADRO CC[C@H](NC(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1ccc(C)cc1 ZINC000410312989 823459996 /nfs/dbraw/zinc/45/99/96/823459996.db2.gz IQSAHIDDPOYTBI-QHCPKHFHSA-N 1 0 379.548 4.452 20 0 GIADRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)c1csc(Cl)c1)c1ccccc1O2 ZINC000189619619 823460069 /nfs/dbraw/zinc/46/00/69/823460069.db2.gz OVSXKSBKVKFWKY-HNNXBMFYSA-N 1 0 376.909 4.120 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)/C=C/c2ccc3ccccc3n2)CC1 ZINC000027060741 820186951 /nfs/dbraw/zinc/18/69/51/820186951.db2.gz OZWCLQUDGCAJIQ-BUHFOSPRSA-N 1 0 386.499 4.029 20 0 GIADRO O=C(Nc1ccccc1C(F)(F)F)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000058827981 823460252 /nfs/dbraw/zinc/46/02/52/823460252.db2.gz SSFBNLGOCDZUPR-INIZCTEOSA-N 1 0 377.410 4.492 20 0 GIADRO C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)N1CC[NH+](C2CCCC2)CC1 ZINC000027120620 820195754 /nfs/dbraw/zinc/19/57/54/820195754.db2.gz GFNITFLKIFWASG-IBGZPJMESA-N 1 0 393.531 4.366 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCCCc2ccccc21)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000177430118 823460630 /nfs/dbraw/zinc/46/06/30/823460630.db2.gz IQZXCLQWVHEIFD-UZUQRXQVSA-N 1 0 378.516 4.462 20 0 GIADRO COc1ccc(C[N@H+](C[C@H](O)CC(F)(F)F)C2CCCCC2)cc1OC ZINC000189622608 823460712 /nfs/dbraw/zinc/46/07/12/823460712.db2.gz BEAIPARSFSVEJU-MRXNPFEDSA-N 1 0 375.431 4.152 20 0 GIADRO Cc1ccc(OC[C@H](O)C[NH+]2CCC(C(=O)c3ccc(C)cc3C)CC2)c(C)c1 ZINC000027211622 820209551 /nfs/dbraw/zinc/20/95/51/820209551.db2.gz MZDROHSLSVOECC-JOCHJYFZSA-N 1 0 395.543 4.255 20 0 GIADRO Cc1ccc(C(=O)C2CC[NH+](C[C@H](O)COc3cc(C)ccc3C)CC2)c(C)c1 ZINC000027211696 820210052 /nfs/dbraw/zinc/21/00/52/820210052.db2.gz HTXHKABSDZMFHU-QFIPXVFZSA-N 1 0 395.543 4.255 20 0 GIADRO COc1ccccc1[C@@H](C[NH2+]Cc1ccccc1OCc1ccncc1)N(C)C ZINC000027217190 820210867 /nfs/dbraw/zinc/21/08/67/820210867.db2.gz GNKQLMHYHSNITO-JOCHJYFZSA-N 1 0 391.515 4.062 20 0 GIADRO Cc1ccccc1[C@H]([C@H](C)[NH2+][C@@H](C)c1ccc(Br)cn1)N(C)C ZINC000573178851 823461778 /nfs/dbraw/zinc/46/17/78/823461778.db2.gz RQVZRPHZEQRODT-DOXZYTNZSA-N 1 0 376.342 4.495 20 0 GIADRO CCCCOc1ccc(C[NH2+][C@@H](C)c2ccc3c(c2)NC(=O)CO3)cc1OCC ZINC000027220779 820211849 /nfs/dbraw/zinc/21/18/49/820211849.db2.gz ONODMFYVWUUQMJ-INIZCTEOSA-N 1 0 398.503 4.446 20 0 GIADRO CC[C@@H]([NH2+][C@H]1CCc2ccc(F)cc21)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000573179253 823461846 /nfs/dbraw/zinc/46/18/46/823461846.db2.gz YLUPEIJEBFCORB-MSOLQXFVSA-N 1 0 396.915 4.115 20 0 GIADRO CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@@H]2CCCCc3ccccc32)cc1 ZINC000177437938 823461901 /nfs/dbraw/zinc/46/19/01/823461901.db2.gz HMHXJGXVZNQXAJ-JOCHJYFZSA-N 1 0 386.561 4.072 20 0 GIADRO CCc1ccccc1NC(=O)C[N@H+](Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000027236524 820214381 /nfs/dbraw/zinc/21/43/81/820214381.db2.gz DQANIDPFDWRXKR-UHFFFAOYSA-N 1 0 380.488 4.361 20 0 GIADRO CCCCNC(=S)C(C(=O)c1cccc(Br)c1)[n+]1ccccc1 ZINC000027327068 820224700 /nfs/dbraw/zinc/22/47/00/820224700.db2.gz CFAVYMMEIASEGA-UHFFFAOYSA-O 1 0 392.342 4.065 20 0 GIADRO Cc1cccc(-c2nc(CC(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)cs2)c1 ZINC000027334882 820225869 /nfs/dbraw/zinc/22/58/69/820225869.db2.gz IVGUYLHITBHWOZ-LJQANCHMSA-N 1 0 395.528 4.207 20 0 GIADRO Cc1cc(OCCCC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)ccc1Cl ZINC000027334016 820226009 /nfs/dbraw/zinc/22/60/09/820226009.db2.gz JWOHZJFWSFXQAO-LJQANCHMSA-N 1 0 390.911 4.354 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH2+]C[C@@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000189633462 823463131 /nfs/dbraw/zinc/46/31/31/823463131.db2.gz PAJGAOXDDUWTAI-UYAOXDASSA-N 1 0 394.437 4.330 20 0 GIADRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1cnc(Cc2ccc(F)cc2)s1 ZINC000177443185 823463182 /nfs/dbraw/zinc/46/31/82/823463182.db2.gz HXCAIFBUIMVPFA-UHFFFAOYSA-N 1 0 387.524 4.010 20 0 GIADRO CC[NH+]1CCC(N(c2ccccc2)S(=O)(=O)Cc2cc(C)cc(C)c2)CC1 ZINC000410324219 823463254 /nfs/dbraw/zinc/46/32/54/823463254.db2.gz BLZJPZFIHQBCOE-UHFFFAOYSA-N 1 0 386.561 4.124 20 0 GIADRO CC[C@@H](CNC(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000410324415 823463384 /nfs/dbraw/zinc/46/33/84/823463384.db2.gz RPQLIXBZLFEUTN-NRFANRHFSA-N 1 0 379.548 4.187 20 0 GIADRO Cn1cc(C[NH2+]Cc2ccc(Cl)cc2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000027392823 820238274 /nfs/dbraw/zinc/23/82/74/820238274.db2.gz XJLVVNQMEBOPHK-UHFFFAOYSA-N 1 0 383.879 4.192 20 0 GIADRO CC(C)(CNC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)[NH+]1CCCCC1 ZINC000027412864 820241592 /nfs/dbraw/zinc/24/15/92/820241592.db2.gz XXJUFCMWHKVZGQ-UHFFFAOYSA-N 1 0 394.519 4.325 20 0 GIADRO COc1ccc2cc([C@H](C)C(=O)NC3CC[NH+](C4CCCC4)CC3)ccc2c1 ZINC000177446312 823463709 /nfs/dbraw/zinc/46/37/09/823463709.db2.gz NPPVJHZDBVUUBC-KRWDZBQOSA-N 1 0 380.532 4.475 20 0 GIADRO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@H]1C[C@@H](C(C)C)c2ccccc21 ZINC000573193308 823463880 /nfs/dbraw/zinc/46/38/80/823463880.db2.gz BDOLUUJRAGVUGN-PMVMPFDFSA-N 1 0 375.516 4.299 20 0 GIADRO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CCC[C@@H](c4nc5ccccc5s4)C3)c2c1 ZINC000027506830 820254696 /nfs/dbraw/zinc/25/46/96/820254696.db2.gz BFLSMOKOFAGNDP-OAHLLOKOSA-N 1 0 393.472 4.391 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)c1cccc(-n2cccc2)c1)[NH+]1CCCC1 ZINC000027571421 820260694 /nfs/dbraw/zinc/26/06/94/820260694.db2.gz BNJNAVTYQLWSNU-QFIPXVFZSA-N 1 0 389.499 4.053 20 0 GIADRO CC1CC[NH+]([C@H](CNC(=O)CCc2nc3ccccc3o2)c2cccs2)CC1 ZINC000027573867 820261434 /nfs/dbraw/zinc/26/14/34/820261434.db2.gz ZOKZLAGPQVKZDS-GOSISDBHSA-N 1 0 397.544 4.411 20 0 GIADRO C[C@@H](NC(=O)C[N@H+](Cc1ccc2c(c1)OCO2)C1CCCC1)c1ccc(F)cc1 ZINC000027574376 820262070 /nfs/dbraw/zinc/26/20/70/820262070.db2.gz UGDVCZNLWDUYQP-MRXNPFEDSA-N 1 0 398.478 4.176 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)c(CC(=O)NCc2ccccc2C[NH+](C)C)s1 ZINC000123120469 823465500 /nfs/dbraw/zinc/46/55/00/823465500.db2.gz CXIMAGLZISAABM-UHFFFAOYSA-N 1 0 393.556 4.347 20 0 GIADRO CC(C)(C)CN1CCC[C@@H]([NH2+]CC2(c3ccc(Cl)cc3)CCOCC2)C1=O ZINC000460666530 823471673 /nfs/dbraw/zinc/47/16/73/823471673.db2.gz DHVNDDCHMSFPII-LJQANCHMSA-N 1 0 392.971 4.015 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cccc2c3c([nH]c21)CCCC3 ZINC000027601064 820265532 /nfs/dbraw/zinc/26/55/32/820265532.db2.gz WBEJKBPMDLNFPI-UHFFFAOYSA-N 1 0 387.527 4.441 20 0 GIADRO COc1ccc([C@H](CNC(=O)c2ccc(F)cc2Cl)[NH+]2CCCCC2)cc1 ZINC000027667853 820273155 /nfs/dbraw/zinc/27/31/55/820273155.db2.gz OYKFCBHZUSADSK-FQEVSTJZSA-N 1 0 390.886 4.445 20 0 GIADRO CC1(C)[C@@H](c2ccccc2)C[C@@H]1[NH2+]C1CCC(C(=O)N2CCSCC2)CC1 ZINC000123127092 823466630 /nfs/dbraw/zinc/46/66/30/823466630.db2.gz UAWFIOWKWDIHKH-VFUGHAIPSA-N 1 0 386.605 4.293 20 0 GIADRO COc1ccc(Cl)cc1C[N@H+](C)CCC(=O)NCc1ccccc1Cl ZINC000027738505 820281312 /nfs/dbraw/zinc/28/13/12/820281312.db2.gz CNLSPDVWOSNMAO-UHFFFAOYSA-N 1 0 381.303 4.140 20 0 GIADRO CC(C)c1c(C(=O)N[C@H](C)C[NH+]2CCCCC2)cnn1-c1ccc(Cl)cc1 ZINC000027766102 820284176 /nfs/dbraw/zinc/28/41/76/820284176.db2.gz OPKOJPFSGZSPNZ-MRXNPFEDSA-N 1 0 388.943 4.253 20 0 GIADRO Cc1csc(SCc2ccccc2C(=O)N[C@@H](C)C[NH+]2CCCCC2)n1 ZINC000027765387 820284493 /nfs/dbraw/zinc/28/44/93/820284493.db2.gz BAHVJYFKHMWCOC-HNNXBMFYSA-N 1 0 389.590 4.348 20 0 GIADRO Cc1cn(C2CCCCC2)[nH]c1=NC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000573220197 823467458 /nfs/dbraw/zinc/46/74/58/823467458.db2.gz BDTJHJOKEZIGJO-OAQYLSRUSA-N 1 0 391.519 4.093 20 0 GIADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)CCOc2cccc(Cl)c2Cl)C1 ZINC000058899079 823467975 /nfs/dbraw/zinc/46/79/75/823467975.db2.gz UTWBEIOEXVDBEB-OAHLLOKOSA-N 1 0 387.351 4.391 20 0 GIADRO O=C(/C=C/c1ccc2ccccc2n1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000027927254 820297773 /nfs/dbraw/zinc/29/77/73/820297773.db2.gz QWLMNSPTCUPPII-OUKQBFOZSA-N 1 0 385.511 4.071 20 0 GIADRO COc1ccc(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)c2ccccc12 ZINC000027930694 820298052 /nfs/dbraw/zinc/29/80/52/820298052.db2.gz RKVKMKPAZACRQG-UHFFFAOYSA-N 1 0 388.511 4.285 20 0 GIADRO C[C@H]1CCc2sc(C(=O)NC3CC[NH+](CCc4ccccc4)CC3)cc2C1 ZINC000027930076 820298263 /nfs/dbraw/zinc/29/82/63/820298263.db2.gz CAOAXXFKHLCWKC-KRWDZBQOSA-N 1 0 382.573 4.310 20 0 GIADRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)N1CCC=C(c2ccccc2)C1 ZINC000573227007 823468147 /nfs/dbraw/zinc/46/81/47/823468147.db2.gz AHCCCVZVSNRSTK-UHFFFAOYSA-N 1 0 395.572 4.459 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@H]2CCCN(CC(C)(C)C)C2=O)cc1Br ZINC000460654674 823468226 /nfs/dbraw/zinc/46/82/26/823468226.db2.gz IGWNLVKURFKDET-CJNGLKHVSA-N 1 0 397.357 4.145 20 0 GIADRO OC[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1ccc(-c2ccncc2)cc1F ZINC000123137607 823468305 /nfs/dbraw/zinc/46/83/05/823468305.db2.gz ADZFMBZWLHUTSO-FQEVSTJZSA-N 1 0 375.447 4.062 20 0 GIADRO COc1ccccc1CNC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000410343449 823468498 /nfs/dbraw/zinc/46/84/98/823468498.db2.gz GONVREOOYAIERY-SFHVURJKSA-N 1 0 381.520 4.069 20 0 GIADRO CC1CC[NH+](CCCNC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)CC1 ZINC000028068592 820308913 /nfs/dbraw/zinc/30/89/13/820308913.db2.gz ZOJYUZFWAJFCBD-UHFFFAOYSA-N 1 0 394.519 4.182 20 0 GIADRO O=C(c1cc[nH]c1C1CCC1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000573233106 823468848 /nfs/dbraw/zinc/46/88/48/823468848.db2.gz GJRNYESTKAWOAP-UHFFFAOYSA-N 1 0 377.532 4.411 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCC[C@H]2c2cccn2C)cc1 ZINC000410346666 823469091 /nfs/dbraw/zinc/46/90/91/823469091.db2.gz WDKRXLXQDSFLIM-XXBNENTESA-N 1 0 394.563 4.446 20 0 GIADRO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1ccc(F)cc1Br ZINC000028170647 820315355 /nfs/dbraw/zinc/31/53/55/820315355.db2.gz WCLHPXCCEZLULM-UHFFFAOYSA-N 1 0 377.257 4.436 20 0 GIADRO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1cc(Br)ccc1F ZINC000028177289 820315928 /nfs/dbraw/zinc/31/59/28/820315928.db2.gz HSJOHJRXRAQUOF-UHFFFAOYSA-N 1 0 377.257 4.436 20 0 GIADRO Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000028176553 820315961 /nfs/dbraw/zinc/31/59/61/820315961.db2.gz JRMUIVUOQPDNAM-UHFFFAOYSA-N 1 0 377.492 4.169 20 0 GIADRO CC[C@@H]([NH2+]CC(=O)N1CCc2[nH]c3ccccc3c2C1)c1ccc(Cl)cc1 ZINC000028278776 820322146 /nfs/dbraw/zinc/32/21/46/820322146.db2.gz XRIVOUGAXHWABW-LJQANCHMSA-N 1 0 381.907 4.447 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)Nc2ccc3c(c2)CCO3)cc1 ZINC000410347950 823469746 /nfs/dbraw/zinc/46/97/46/823469746.db2.gz SPYCSBZCVWEXOI-QGZVFWFLSA-N 1 0 379.504 4.318 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCCN(CC(C)(C)C)C2=O)cc1OCC ZINC000460660462 823469816 /nfs/dbraw/zinc/46/98/16/823469816.db2.gz SSWGOFXFHQAUJS-AEFFLSMTSA-N 1 0 376.541 4.172 20 0 GIADRO CNc1ccc(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)s1 ZINC000573243836 823469849 /nfs/dbraw/zinc/46/98/49/823469849.db2.gz DMEZYYBUTLNFSD-UHFFFAOYSA-N 1 0 377.941 4.085 20 0 GIADRO CCc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1 ZINC000028347115 820326904 /nfs/dbraw/zinc/32/69/04/820326904.db2.gz YXTCPZMFWFVCFX-JKSUJKDBSA-N 1 0 379.504 4.275 20 0 GIADRO COc1ccc2c(C[NH2+][C@@H](C)c3ccc(NC(=O)C4CC4)cc3)cc(=O)oc2c1 ZINC000028348002 820327251 /nfs/dbraw/zinc/32/72/51/820327251.db2.gz DRBUBJGZYULZMW-AWEZNQCLSA-N 1 0 392.455 4.001 20 0 GIADRO O=C(Nc1ccccc1)c1cccc(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)c1 ZINC000177470290 823470112 /nfs/dbraw/zinc/47/01/12/823470112.db2.gz ICZHCNGMFIIEDQ-QHCPKHFHSA-N 1 0 394.515 4.099 20 0 GIADRO CC[C@@H](CNC(=O)N(C)[C@@H](C)c1ccc(F)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000028392370 820331956 /nfs/dbraw/zinc/33/19/56/820331956.db2.gz QHLASVBEMSYESC-JTSKRJEESA-N 1 0 383.511 4.365 20 0 GIADRO O=C(NCc1ccc(C(F)(F)F)cc1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000028390344 820331986 /nfs/dbraw/zinc/33/19/86/820331986.db2.gz UAAHMMPIVJIIMU-UHFFFAOYSA-N 1 0 391.437 4.301 20 0 GIADRO O=C(CC[N@@H+](Cc1cccs1)C[C@H]1CCCO1)Nc1ccccc1Cl ZINC000028736530 820354599 /nfs/dbraw/zinc/35/45/99/820354599.db2.gz OMFDDBYFFFGEOX-OAHLLOKOSA-N 1 0 378.925 4.411 20 0 GIADRO O=C(CC[NH+]1CCN(c2ccccc2F)CC1)Nc1cccc2ccccc21 ZINC000028843420 820363156 /nfs/dbraw/zinc/36/31/56/820363156.db2.gz ONEVLSPRGOZCIX-UHFFFAOYSA-N 1 0 377.463 4.130 20 0 GIADRO O=C(CC[NH+]1CCN(c2ccccc2)CC1)NC(c1ccccc1)c1ccccc1 ZINC000028843135 820363391 /nfs/dbraw/zinc/36/33/91/820363391.db2.gz BIBZGBJYXYGBHG-UHFFFAOYSA-N 1 0 399.538 4.105 20 0 GIADRO O=C(CC[N@@H+]1CCc2ccccc2C1)N[C@H](c1cccs1)c1ccccc1 ZINC000028842569 820363479 /nfs/dbraw/zinc/36/34/79/820363479.db2.gz SAUDLHPYQSIJCK-QHCPKHFHSA-N 1 0 376.525 4.402 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)Nc2cccc(OCCF)c2)CC1 ZINC000123172060 823473616 /nfs/dbraw/zinc/47/36/16/823473616.db2.gz YOIQUMZJVRVQKZ-UHFFFAOYSA-N 1 0 385.483 4.129 20 0 GIADRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)C1 ZINC000058971931 823477323 /nfs/dbraw/zinc/47/73/23/823477323.db2.gz YGUIKPZOAQNOBN-IRXDYDNUSA-N 1 0 380.960 4.372 20 0 GIADRO C[N@H+](CCC(=O)Nc1ccc(Cl)cc1F)Cc1cnn(-c2ccccc2)c1 ZINC000028901174 820369756 /nfs/dbraw/zinc/36/97/56/820369756.db2.gz GYVRFFZGYXSXGL-UHFFFAOYSA-N 1 0 386.858 4.125 20 0 GIADRO CC(C)Oc1ccccc1CC(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000573273019 823474093 /nfs/dbraw/zinc/47/40/93/823474093.db2.gz HCYZPQVGPWJNFH-IBGZPJMESA-N 1 0 388.939 4.131 20 0 GIADRO Cc1cccc2oc(CC[NH2+][C@H](C)c3ccc(NC(=O)NC4CC4)cc3)nc21 ZINC000410360404 823474182 /nfs/dbraw/zinc/47/41/82/823474182.db2.gz QPMZQJMNUKXMAT-OAHLLOKOSA-N 1 0 378.476 4.313 20 0 GIADRO 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 823474277 /nfs/dbraw/zinc/47/42/77/823474277.db2.gz ZBNWZFTZDXFLCI-IINYFYTJSA-N 1 0 382.348 4.279 20 0 GIADRO NC(=O)c1cccc(C[NH2+]Cc2cccc(OCc3ccccc3Cl)c2)c1 ZINC000028926787 820374779 /nfs/dbraw/zinc/37/47/79/820374779.db2.gz PNSWKBUQLPOLSA-UHFFFAOYSA-N 1 0 380.875 4.308 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCC[C@H]2c2cccnc2)C1 ZINC000410362611 823474712 /nfs/dbraw/zinc/47/47/12/823474712.db2.gz HHIAVZYXHLHWLA-XXBNENTESA-N 1 0 392.547 4.360 20 0 GIADRO COc1cc(Cl)cc(C[NH2+]Cc2ccc(Br)cc2OC)c1O ZINC000189685850 823475489 /nfs/dbraw/zinc/47/54/89/823475489.db2.gz QOVIEJUCYGSOAJ-UHFFFAOYSA-N 1 0 386.673 4.115 20 0 GIADRO CCOc1ccc(NC(=O)NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000410365117 823475935 /nfs/dbraw/zinc/47/59/35/823475935.db2.gz JXQUNTYNCWTOTC-ROUUACIJSA-N 1 0 397.519 4.016 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Cc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000029167377 820404190 /nfs/dbraw/zinc/40/41/90/820404190.db2.gz VDFFSDFFBDORNT-IBGZPJMESA-N 1 0 378.438 4.447 20 0 GIADRO O=C(CCCc1c[nH]c2ccccc12)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000029177342 820406212 /nfs/dbraw/zinc/40/62/12/820406212.db2.gz YELXERKIQBDAJY-HSZRJFAPSA-N 1 0 375.516 4.444 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Cc1nc(-c2cccs2)oc1C)c1ccccc1 ZINC000029192732 820409029 /nfs/dbraw/zinc/40/90/29/820409029.db2.gz HCDOWEQEUGTTNL-IBGZPJMESA-N 1 0 397.544 4.453 20 0 GIADRO Cc1ccccc1-n1ncc(C(=O)NC2CCC(C[NH+](C)C)CC2)c1C(C)C ZINC000189691381 823476572 /nfs/dbraw/zinc/47/65/72/823476572.db2.gz YDVFTWPOUVDOMM-UHFFFAOYSA-N 1 0 382.552 4.154 20 0 GIADRO Cc1cc(OCCCC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)ccc1Cl ZINC000058966282 823476698 /nfs/dbraw/zinc/47/66/98/823476698.db2.gz LFNUGNSPDPAHHB-QGZVFWFLSA-N 1 0 380.960 4.436 20 0 GIADRO Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000573351832 823483044 /nfs/dbraw/zinc/48/30/44/823483044.db2.gz ZDFAPSUUBFSBBN-CQSZACIVSA-N 1 0 394.302 4.267 20 0 GIADRO CC(C)[C@@H](CNC(=O)NCc1ccccc1C[N@H+](C)C(C)C)Nc1ccccc1 ZINC000410371588 823478668 /nfs/dbraw/zinc/47/86/68/823478668.db2.gz LHJMRNUNVBGNNY-HSZRJFAPSA-N 1 0 396.579 4.463 20 0 GIADRO CC1CC[NH+](Cc2ccc(CNC(=O)c3ccc(C(F)(F)F)nc3)cc2)CC1 ZINC000029358687 820443389 /nfs/dbraw/zinc/44/33/89/820443389.db2.gz ZLMHKPWPKYRXFO-UHFFFAOYSA-N 1 0 391.437 4.262 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cc(Cl)ccc1Cl ZINC000029370143 820445088 /nfs/dbraw/zinc/44/50/88/820445088.db2.gz OOJYLEYAJPMSFQ-UHFFFAOYSA-N 1 0 378.303 4.306 20 0 GIADRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)Cc1csc(-c2ccccc2)n1 ZINC000058991328 823480341 /nfs/dbraw/zinc/48/03/41/823480341.db2.gz AYSVTIPABLPXOT-UHFFFAOYSA-N 1 0 397.519 4.082 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCc2ccccc2C1 ZINC000410376893 823480711 /nfs/dbraw/zinc/48/07/11/823480711.db2.gz YLLSCHFFFHTNNP-LJQANCHMSA-N 1 0 377.532 4.329 20 0 GIADRO COc1cccc([C@H](CNC(=O)c2cc3cc(C)ccc3[nH]2)[NH+]2CCCC2)c1 ZINC000029504207 820464918 /nfs/dbraw/zinc/46/49/18/820464918.db2.gz AEMJAIANSLPIAI-QFIPXVFZSA-N 1 0 377.488 4.052 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCC[C@H]3c3cccn3C)cc2)C1 ZINC000410380669 823481584 /nfs/dbraw/zinc/48/15/84/823481584.db2.gz HRBPJFUETQAQGC-XXBNENTESA-N 1 0 394.563 4.304 20 0 GIADRO Cc1cc2occ(CC(=O)N(CC[NH+](C)C)Cc3ccc(F)cc3)c2cc1C ZINC000059002253 823481748 /nfs/dbraw/zinc/48/17/48/823481748.db2.gz QTIMFGDQRVKKKM-UHFFFAOYSA-N 1 0 382.479 4.322 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cnn(-c2cccc(C)c2)c1C ZINC000029550732 820475274 /nfs/dbraw/zinc/47/52/74/820475274.db2.gz KCPPLWLGUJPTLV-UHFFFAOYSA-N 1 0 390.531 4.261 20 0 GIADRO O=C(NCc1ccccc1OC1CCC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177523086 823481771 /nfs/dbraw/zinc/48/17/71/823481771.db2.gz SDWFOPFCKYGUFJ-UHFFFAOYSA-N 1 0 385.552 4.214 20 0 GIADRO COc1ccc([C@H](CNC(=O)CCc2ccc(C)cc2C)[NH+]2CCCC2)cc1 ZINC000029688732 820497882 /nfs/dbraw/zinc/49/78/82/820497882.db2.gz QDLISPUWZRVTKE-QHCPKHFHSA-N 1 0 380.532 4.198 20 0 GIADRO C[C@@H](CS(=O)(=O)c1ccccc1)N[C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000123245820 823484678 /nfs/dbraw/zinc/48/46/78/823484678.db2.gz IOYSVWSLNYNLBW-SUMWQHHRSA-N 1 0 389.414 4.271 20 0 GIADRO C[C@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)c1ncc(-c2ccccc2)o1 ZINC000177538942 823485771 /nfs/dbraw/zinc/48/57/71/823485771.db2.gz KUJJBQTWOVCAHB-KRWDZBQOSA-N 1 0 396.535 4.499 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)CCCC[C@@H]3CCSS3)cc2)CC1 ZINC000029798874 820521098 /nfs/dbraw/zinc/52/10/98/820521098.db2.gz MAZFKPVDSCJRHL-LJQANCHMSA-N 1 0 393.622 4.481 20 0 GIADRO CC[NH+](CC)CCOc1ccc(NC(=O)c2c(F)c(F)cc(F)c2F)cc1 ZINC000177539070 823485963 /nfs/dbraw/zinc/48/59/63/823485963.db2.gz UIEOGUKTILHBDK-UHFFFAOYSA-N 1 0 384.373 4.216 20 0 GIADRO CC[C@@H](NC(=O)NCc1ccc(OCC[NH+](C)C)cc1)c1ccc(Cl)cc1 ZINC000410397639 823486308 /nfs/dbraw/zinc/48/63/08/823486308.db2.gz LOLNHEJHEVDKHR-HXUWFJFHSA-N 1 0 389.927 4.231 20 0 GIADRO C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1)c1ccc(F)cc1 ZINC000029825658 820525917 /nfs/dbraw/zinc/52/59/17/820525917.db2.gz NCDXGDHNDRLDSF-NVXWUHKLSA-N 1 0 381.451 4.024 20 0 GIADRO CCN(C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1)c1ccccc1 ZINC000029827211 820526713 /nfs/dbraw/zinc/52/67/13/820526713.db2.gz FPKQTGPKKOPWTA-QZTJIDSGSA-N 1 0 377.488 4.449 20 0 GIADRO Cc1ccccc1CNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029830788 820528273 /nfs/dbraw/zinc/52/82/73/820528273.db2.gz DKNGDPLZLCRQNM-IEBWSBKVSA-N 1 0 377.488 4.021 20 0 GIADRO C[NH+](C)CCOc1cccc(CNC(=O)N[C@H](c2ccccc2)C(C)(C)C)c1 ZINC000410398153 823486472 /nfs/dbraw/zinc/48/64/72/823486472.db2.gz OHAAQSZMXZFUPH-OAQYLSRUSA-N 1 0 383.536 4.214 20 0 GIADRO CSCc1c2ccccc2oc1C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000029837713 820529369 /nfs/dbraw/zinc/52/93/69/820529369.db2.gz UJDSKAGGGILXDV-UHFFFAOYSA-N 1 0 394.540 4.474 20 0 GIADRO CC1(C)C[C@@H](NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)c2ccccc21 ZINC000123257069 823486623 /nfs/dbraw/zinc/48/66/23/823486623.db2.gz MLHIHOGOPOYLSM-HSZRJFAPSA-N 1 0 392.543 4.043 20 0 GIADRO C[C@@H](C(=O)Nc1ccccc1Br)[N@H+](C)CCCOc1ccccc1 ZINC000029855262 820533561 /nfs/dbraw/zinc/53/35/61/820533561.db2.gz PIXRONNIEKUUIG-HNNXBMFYSA-N 1 0 391.309 4.177 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(CSc3ccccn3)c2)C1 ZINC000177544494 823487148 /nfs/dbraw/zinc/48/71/48/823487148.db2.gz LNVAGCJVWKHDRL-SFHVURJKSA-N 1 0 384.549 4.179 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Cc1c(C)[nH]c2ccccc21)Cc1ccccc1 ZINC000029921041 820548683 /nfs/dbraw/zinc/54/86/83/820548683.db2.gz KUMYSCKGNRUEDW-HXUWFJFHSA-N 1 0 377.532 4.088 20 0 GIADRO Cc1ccc(Br)cc1NC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000059264403 823488075 /nfs/dbraw/zinc/48/80/75/823488075.db2.gz AMEWZGKAYQALMZ-QGZVFWFLSA-N 1 0 394.288 4.321 20 0 GIADRO CCOc1cc(F)ccc1NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000059264625 823488132 /nfs/dbraw/zinc/48/81/32/823488132.db2.gz CDTNHURXMCPODK-MRXNPFEDSA-N 1 0 377.485 4.245 20 0 GIADRO C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000177554781 823489936 /nfs/dbraw/zinc/48/99/36/823489936.db2.gz YGUMAVBRRQMICC-UWJYYQICSA-N 1 0 391.540 4.451 20 0 GIADRO O=S(=O)(/C=C/c1ccc(Cl)cc1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000030004447 820566706 /nfs/dbraw/zinc/56/67/06/820566706.db2.gz WNRLWOINAWDRHR-IURSYISVSA-N 1 0 390.936 4.067 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)c(OC)c1 ZINC000177551059 823489235 /nfs/dbraw/zinc/48/92/35/823489235.db2.gz LCBFCQGGULJBJM-HNNXBMFYSA-N 1 0 378.513 4.002 20 0 GIADRO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000177570463 823493519 /nfs/dbraw/zinc/49/35/19/823493519.db2.gz CJCFJCBUOIVGFS-OLZOCXBDSA-N 1 0 379.863 4.045 20 0 GIADRO COc1ccc(S[C@H](C)C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000059363539 823493740 /nfs/dbraw/zinc/49/37/40/823493740.db2.gz KTDNPXWBHWDCQR-GOSISDBHSA-N 1 0 398.572 4.478 20 0 GIADRO O=C(CC[N@@H+]1CCCN(Cc2ccc(Cl)cc2)CC1)Nc1ccccc1F ZINC000059374695 823494231 /nfs/dbraw/zinc/49/42/31/823494231.db2.gz DECJGDVOBMXYHL-UHFFFAOYSA-N 1 0 389.902 4.016 20 0 GIADRO CC(C)N(C)C(=O)C1CC[NH+](Cc2ccc(C(=O)Nc3ccccc3)cc2)CC1 ZINC000030273464 820593811 /nfs/dbraw/zinc/59/38/11/820593811.db2.gz HJHUXVBAEYBKQS-UHFFFAOYSA-N 1 0 393.531 4.018 20 0 GIADRO C[C@@H](C1CC1)n1cc(NC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)cn1 ZINC000189789939 823494739 /nfs/dbraw/zinc/49/47/39/823494739.db2.gz ZCTSPRNUGIYFTN-IBGZPJMESA-N 1 0 395.551 4.027 20 0 GIADRO CC[C@@H]([NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1)c1ccccc1OCC(=O)N(C)C ZINC000573411079 823490268 /nfs/dbraw/zinc/49/02/68/823490268.db2.gz UZLZBMVCMBQBQT-FCEUIQTBSA-N 1 0 396.531 4.115 20 0 GIADRO C[C@@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)c1cccc(-n2ccnc2)c1 ZINC000177557656 823490411 /nfs/dbraw/zinc/49/04/11/823490411.db2.gz ZFAODRAXWJRTLB-GOSISDBHSA-N 1 0 395.551 4.030 20 0 GIADRO CSc1nnc(CCC[NH2+]Cc2csc(C(C)(C)C)n2)n1CC(C)C ZINC000177559391 823490917 /nfs/dbraw/zinc/49/09/17/823490917.db2.gz PQSGXXABZYFIRZ-UHFFFAOYSA-N 1 0 381.615 4.132 20 0 GIADRO CCN(CCC[NH+]1CCCC1)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000189769510 823491271 /nfs/dbraw/zinc/49/12/71/823491271.db2.gz JNNMRDYBTQLIES-UHFFFAOYSA-N 1 0 375.847 4.281 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@H](C)C(=O)Nc2c(F)cccc2F)ccc1OC(C)C ZINC000030492709 820623220 /nfs/dbraw/zinc/62/32/20/820623220.db2.gz BHSGHWJDTNYUMO-UONOGXRCSA-N 1 0 392.446 4.438 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(COCc2ccco2)c1)C(=O)Nc1ccc(Cl)cn1 ZINC000030511294 820628803 /nfs/dbraw/zinc/62/88/03/820628803.db2.gz LXJWJMKFXWUKIV-HNNXBMFYSA-N 1 0 399.878 4.162 20 0 GIADRO CC(C)(C)N1C[C@@H]([NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)CC1=O ZINC000177564443 823492174 /nfs/dbraw/zinc/49/21/74/823492174.db2.gz GKPYBFIKFIJWKL-KRWDZBQOSA-N 1 0 399.922 4.081 20 0 GIADRO CC[NH+](CC)CCOc1ccc(C(=O)N2CCC[C@H]2c2cccc(OC)c2)cc1 ZINC000059335983 823492374 /nfs/dbraw/zinc/49/23/74/823492374.db2.gz HABIWZWECGERMQ-QHCPKHFHSA-N 1 0 396.531 4.393 20 0 GIADRO COc1ccc(CC[NH2+]Cc2ccc(OCc3ccncc3)c(OC)c2)cc1 ZINC000030543551 820636416 /nfs/dbraw/zinc/63/64/16/820636416.db2.gz ZVGLZTPMQKUTCU-UHFFFAOYSA-N 1 0 378.472 4.010 20 0 GIADRO COc1ccc(C[NH2+]C[C@@H](c2cccs2)N(C)C)cc1OCc1cccnc1 ZINC000030544887 820637184 /nfs/dbraw/zinc/63/71/84/820637184.db2.gz FRKVFWNCBMYEBL-IBGZPJMESA-N 1 0 397.544 4.123 20 0 GIADRO COc1cccc([C@H](C[NH2+]Cc2ccccc2OCc2cccnc2)N(C)C)c1 ZINC000030543714 820637312 /nfs/dbraw/zinc/63/73/12/820637312.db2.gz PXGFEMUZTVMZHT-QHCPKHFHSA-N 1 0 391.515 4.062 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)Nc2nnc(Cc3ccccc3)s2)cc1 ZINC000030560642 820640470 /nfs/dbraw/zinc/64/04/70/820640470.db2.gz QADLZMSBWNPKMF-UHFFFAOYSA-N 1 0 380.517 4.223 20 0 GIADRO O=C(Cc1csc(-c2ccccc2)n1)NCc1ccccc1C[NH+]1CCCC1 ZINC000030556739 820640655 /nfs/dbraw/zinc/64/06/55/820640655.db2.gz QUHMHJVZILVEPO-UHFFFAOYSA-N 1 0 391.540 4.265 20 0 GIADRO O=C(C[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1)Nc1ccc(F)cc1 ZINC000573466207 823492882 /nfs/dbraw/zinc/49/28/82/823492882.db2.gz PPMRZBAJJBZDEU-UHFFFAOYSA-N 1 0 375.856 4.331 20 0 GIADRO C[NH+](C)C[C@@H](CNC(=O)c1coc(C2CCCC2)n1)c1ccc(Cl)cc1 ZINC000573467001 823493467 /nfs/dbraw/zinc/49/34/67/823493467.db2.gz JBWBPECMCIHRQY-MRXNPFEDSA-N 1 0 375.900 4.061 20 0 GIADRO O=C1CCCN1c1ccc(C[NH2+]Cc2ccccc2OCc2ccncc2)cc1 ZINC000030628593 820653039 /nfs/dbraw/zinc/65/30/39/820653039.db2.gz WGEACIVZOLMBRY-UHFFFAOYSA-N 1 0 387.483 4.077 20 0 GIADRO c1c(C[NH2+]C[C@H]2Cc3ccccc3O2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000030631396 820654432 /nfs/dbraw/zinc/65/44/32/820654432.db2.gz CYXNHZIRCOSATD-JOCHJYFZSA-N 1 0 382.467 4.028 20 0 GIADRO COCc1ccc(C[NH2+]Cc2ccc(OC)c(OCc3cccnc3)c2)cc1 ZINC000030631626 820654467 /nfs/dbraw/zinc/65/44/67/820654467.db2.gz KXADIGFOBTURDE-UHFFFAOYSA-N 1 0 378.472 4.105 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1cccc(OCc2cccs2)c1)c1ccsc1 ZINC000030636708 820655636 /nfs/dbraw/zinc/65/56/36/820655636.db2.gz KLDQWROYPORZBX-IBGZPJMESA-N 1 0 386.542 4.421 20 0 GIADRO COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCN2CCCCC2)cc1 ZINC000030642705 820657093 /nfs/dbraw/zinc/65/70/93/820657093.db2.gz JJIRFEABNGPLGB-UHFFFAOYSA-N 1 0 390.531 4.123 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)CCc3ccccc3O)cc2)C1 ZINC000059410621 823495810 /nfs/dbraw/zinc/49/58/10/823495810.db2.gz QJMAVQQIUKEPNJ-KDURUIRLSA-N 1 0 380.532 4.119 20 0 GIADRO c1c(C[NH2+]CCOCc2ccccc2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000177582106 823496138 /nfs/dbraw/zinc/49/61/38/823496138.db2.gz CTSOXEVSLZQLPD-UHFFFAOYSA-N 1 0 384.483 4.241 20 0 GIADRO C[C@@H](NC(=O)CN1CCC[N@H+](CC2CCCCC2)CC1)c1ccccc1Cl ZINC000059424795 823496464 /nfs/dbraw/zinc/49/64/64/823496464.db2.gz BYSGPPMKDZJBMM-GOSISDBHSA-N 1 0 391.987 4.105 20 0 GIADRO Cc1cccc2nc(C3CC[NH+](C[C@H](O)COc4ccccc4C)CC3)oc21 ZINC000189798053 823496484 /nfs/dbraw/zinc/49/64/84/823496484.db2.gz BWSNZNDGGDGHQG-IBGZPJMESA-N 1 0 380.488 4.064 20 0 GIADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)Cc2csc(-c3ccc(Cl)s3)n2)C1 ZINC000177584630 823496574 /nfs/dbraw/zinc/49/65/74/823496574.db2.gz ARTHNSCALFGGDV-YPMHNXCESA-N 1 0 383.970 4.057 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc(NC(=O)NC3CC3)cc2)cc1 ZINC000030730551 820674319 /nfs/dbraw/zinc/67/43/19/820674319.db2.gz QYOSCAJEXCKMSU-UHFFFAOYSA-N 1 0 380.492 4.065 20 0 GIADRO C[C@@H](C1CC1)n1cc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000189800672 823496836 /nfs/dbraw/zinc/49/68/36/823496836.db2.gz HQSKYLPITYOBBZ-FUHIMQAGSA-N 1 0 381.524 4.029 20 0 GIADRO Clc1ccc(OCc2nc(C[NH2+]CCCNc3ccccn3)cs2)cc1 ZINC000177589097 823497128 /nfs/dbraw/zinc/49/71/28/823497128.db2.gz XSBQCGCKVPVOEK-UHFFFAOYSA-N 1 0 388.924 4.362 20 0 GIADRO Cc1c(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cnn1-c1ccccc1F ZINC000030787457 820683591 /nfs/dbraw/zinc/68/35/91/820683591.db2.gz SRVCQLOXQKSMRJ-UHFFFAOYSA-N 1 0 378.451 4.168 20 0 GIADRO CCOc1ccc(NCc2ccccc2N(C)C2CC[NH+](C)CC2)cc1OC ZINC000177590345 823497550 /nfs/dbraw/zinc/49/75/50/823497550.db2.gz DMXHYTWVLIOLBT-UHFFFAOYSA-N 1 0 383.536 4.236 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)NCc2ccc(Br)s2)cc1 ZINC000030849151 820693416 /nfs/dbraw/zinc/69/34/16/820693416.db2.gz ZLWBDGIKQMMGLM-UHFFFAOYSA-N 1 0 381.339 4.282 20 0 GIADRO Cc1cc(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)ccc1NC(=O)CC(C)C ZINC000460731618 823498543 /nfs/dbraw/zinc/49/85/43/823498543.db2.gz UEZSWSFGLGEDDU-QZTJIDSGSA-N 1 0 387.568 4.077 20 0 GIADRO CCOc1ncccc1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000030901483 820705106 /nfs/dbraw/zinc/70/51/06/820705106.db2.gz TWFDACYPLZMPDQ-UHFFFAOYSA-N 1 0 385.471 4.018 20 0 GIADRO COc1cc(C[NH2+]Cc2ccnc(Oc3ccccc3)c2)cc(OC)c1OC ZINC000030901731 820705332 /nfs/dbraw/zinc/70/53/32/820705332.db2.gz MQQBCTOHAVPWNY-UHFFFAOYSA-N 1 0 380.444 4.190 20 0 GIADRO c1cnn(-c2ncccc2C[NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)c1 ZINC000030902261 820706044 /nfs/dbraw/zinc/70/60/44/820706044.db2.gz KVPONEQYRLHMQV-UHFFFAOYSA-N 1 0 387.468 4.427 20 0 GIADRO O=C1CCCN1Cc1cccc(C[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)c1 ZINC000030915343 820708117 /nfs/dbraw/zinc/70/81/17/820708117.db2.gz WBAGIQVQRHVURQ-UHFFFAOYSA-N 1 0 378.447 4.498 20 0 GIADRO COC(=O)c1ccc(C[NH+]2CCC(c3nc4cccc(C)c4o3)CC2)cc1F ZINC000189815059 823500597 /nfs/dbraw/zinc/50/05/97/823500597.db2.gz MWZGGODPSPCFNR-UHFFFAOYSA-N 1 0 382.435 4.442 20 0 GIADRO COc1ccc2cc(CNC(=O)N(CC[NH+](C)C)Cc3ccccc3)ccc2c1 ZINC000031041539 820727438 /nfs/dbraw/zinc/72/74/38/820727438.db2.gz UUIHJRHNCCFBOO-UHFFFAOYSA-N 1 0 391.515 4.122 20 0 GIADRO Cc1nc(CC2CC2)sc1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000189834538 823503962 /nfs/dbraw/zinc/50/39/62/823503962.db2.gz DFVKGNOSETVCRI-OAHLLOKOSA-N 1 0 375.563 4.032 20 0 GIADRO CC(C)CC(=O)Nc1ccc(C(=O)NCCC[N@H+](C)C2CCCCC2)cc1F ZINC000460762066 823506108 /nfs/dbraw/zinc/50/61/08/823506108.db2.gz ZWPZHDHFZOVTHJ-UHFFFAOYSA-N 1 0 391.531 4.195 20 0 GIADRO COc1cccc([C@@H](C)CC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000177629156 823504220 /nfs/dbraw/zinc/50/42/20/823504220.db2.gz UEHMSBWZVWIHKZ-ROUUACIJSA-N 1 0 386.561 4.279 20 0 GIADRO CC[C@@H](NC(=O)NCc1ccc(C[NH+](CC)CC)cc1)c1ccccc1OC ZINC000031103312 820742872 /nfs/dbraw/zinc/74/28/72/820742872.db2.gz FHBMKSXHQYFWFW-OAQYLSRUSA-N 1 0 383.536 4.488 20 0 GIADRO CC[C@@H](NC(=O)NCc1ccc(C[NH+](C)C)cc1)c1ccccc1OC(F)F ZINC000031105936 820744417 /nfs/dbraw/zinc/74/44/17/820744417.db2.gz OLVHJFLABXTBRJ-GOSISDBHSA-N 1 0 391.462 4.300 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)Nc2cccc(Oc3cnccn3)c2)cc1 ZINC000031129547 820748850 /nfs/dbraw/zinc/74/88/50/820748850.db2.gz XBFWRLXYUOEKQE-UHFFFAOYSA-N 1 0 376.460 4.363 20 0 GIADRO O=C(Nc1ccc(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1)c1ccco1 ZINC000177632780 823504808 /nfs/dbraw/zinc/50/48/08/823504808.db2.gz WSQVERLMQHIXNF-INIZCTEOSA-N 1 0 381.476 4.125 20 0 GIADRO CN(Cc1ccccc1Cl)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000031148680 820754187 /nfs/dbraw/zinc/75/41/87/820754187.db2.gz ULRZYYWNVWRGBX-UHFFFAOYSA-N 1 0 385.939 4.189 20 0 GIADRO CCOc1ccc([C@@H](C)NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000031149129 820754713 /nfs/dbraw/zinc/75/47/13/820754713.db2.gz IQIZJKPZVSWMTP-LJQANCHMSA-N 1 0 395.547 4.153 20 0 GIADRO CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000059876529 823501088 /nfs/dbraw/zinc/50/10/88/823501088.db2.gz IZWNBBRVRGSUCG-IBGZPJMESA-N 1 0 387.524 4.011 20 0 GIADRO O=C(Nc1cc2c(cc1Cl)OCCCO2)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000177612761 823501100 /nfs/dbraw/zinc/50/11/00/823501100.db2.gz NLZHJCJHLARKKA-CQSZACIVSA-N 1 0 378.900 4.094 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000059885211 823501248 /nfs/dbraw/zinc/50/12/48/823501248.db2.gz BYYJEJYXWDZSMZ-UHFFFAOYSA-N 1 0 380.385 4.239 20 0 GIADRO C[C@@](O)(CC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1 ZINC000189819978 823501843 /nfs/dbraw/zinc/50/18/43/823501843.db2.gz PFDQSUVDAMDTNN-HXUWFJFHSA-N 1 0 383.473 4.106 20 0 GIADRO Cc1cc(C)n(-c2ccc(C[NH+]3CCC(OC[C@@H]4CCCCO4)CC3)cc2)n1 ZINC000177616035 823501906 /nfs/dbraw/zinc/50/19/06/823501906.db2.gz RGMOQZVAORMBPD-QHCPKHFHSA-N 1 0 383.536 4.039 20 0 GIADRO Cc1cc(CCCC(=O)N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(C)s1 ZINC000177639237 823505948 /nfs/dbraw/zinc/50/59/48/823505948.db2.gz XSMOMFMWJRUGDL-CALCHBBNSA-N 1 0 392.609 4.035 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)[C@@H](NC(=O)c2cccc(C)c2)C(C)C)c1 ZINC000031531705 820821930 /nfs/dbraw/zinc/82/19/30/820821930.db2.gz NQWYWDPBUHZOHR-QFIPXVFZSA-N 1 0 395.547 4.230 20 0 GIADRO CCN(Cc1cccc(NC(=O)c2ccc(C[NH+](CC)CC)cc2)c1)C(C)=O ZINC000031586072 820828592 /nfs/dbraw/zinc/82/85/92/820828592.db2.gz RAMWUUHQVZVLEM-UHFFFAOYSA-N 1 0 381.520 4.149 20 0 GIADRO CC(C)[C@H](NC(=O)c1cccs1)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000031620795 820835494 /nfs/dbraw/zinc/83/54/94/820835494.db2.gz OCSSWTMKWYGQSV-FQEVSTJZSA-N 1 0 399.560 4.127 20 0 GIADRO C[C@@H](C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)s1 ZINC000177656573 823508652 /nfs/dbraw/zinc/50/86/52/823508652.db2.gz VJCNHCKTSMWQFI-WBVHZDCISA-N 1 0 376.953 4.486 20 0 GIADRO C[C@H](C1CC1)[N@H+](CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1)C1CC1 ZINC000031654624 820839446 /nfs/dbraw/zinc/83/94/46/820839446.db2.gz NUDMITATLXTUFN-RDTXWAMCSA-N 1 0 383.517 4.282 20 0 GIADRO CCn1ncc2ccc(NCc3ccccc3N(C)C3CC[NH+](C)CC3)cc21 ZINC000123439099 823509140 /nfs/dbraw/zinc/50/91/40/823509140.db2.gz AUBIXBBKDUGEBR-UHFFFAOYSA-N 1 0 377.536 4.199 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)c2nc(C)sc2Br)cc1 ZINC000410748685 823512256 /nfs/dbraw/zinc/51/22/56/823512256.db2.gz YGSZDGZQTJLKRW-UHFFFAOYSA-N 1 0 382.327 4.308 20 0 GIADRO CC1(C)CC(NC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)CC(C)(C)[NH2+]1 ZINC000031868273 820868526 /nfs/dbraw/zinc/86/85/26/820868526.db2.gz WJZSFVAIWYTJAK-UHFFFAOYSA-N 1 0 391.968 4.431 20 0 GIADRO CC(C)c1cccc(O[C@@H](C)C(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)c1 ZINC000123457388 823510928 /nfs/dbraw/zinc/51/09/28/823510928.db2.gz NAKWGGDCVZBHLR-SFHVURJKSA-N 1 0 384.520 4.293 20 0 GIADRO CO[C@H](C)c1nc(C[NH2+][C@@]2(CNC(=O)OC(C)(C)C)CCCC[C@H]2C)cs1 ZINC000177677574 823512396 /nfs/dbraw/zinc/51/23/96/823512396.db2.gz HENYLBLNCOISGH-STXHMFSFSA-N 1 0 397.585 4.414 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1)c1ccsc1 ZINC000031983179 820883185 /nfs/dbraw/zinc/88/31/85/820883185.db2.gz QOJPXWMPRCVNNF-RYGJVYDSSA-N 1 0 399.560 4.156 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1cc(-c2ccc(F)cc2)n[nH]1)c1ccsc1 ZINC000031983383 820883666 /nfs/dbraw/zinc/88/36/66/820883666.db2.gz IHEBWAVZCSELPL-LJQANCHMSA-N 1 0 386.496 4.090 20 0 GIADRO Cc1ccccc1C(C)(C)C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000177671588 823511508 /nfs/dbraw/zinc/51/15/08/823511508.db2.gz IGIGJDUDJOAIEM-UHFFFAOYSA-N 1 0 380.532 4.116 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(Br)cc1F)c1ccsc1 ZINC000031985806 820884124 /nfs/dbraw/zinc/88/41/24/820884124.db2.gz WFJWCBUWKLOQHM-INIZCTEOSA-N 1 0 399.329 4.463 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Cc1ccc(OC(F)F)cc1)c1ccsc1 ZINC000031986507 820885103 /nfs/dbraw/zinc/88/51/03/820885103.db2.gz HNGJSAMKRSZGQW-QGZVFWFLSA-N 1 0 382.476 4.091 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)[C@H](C)Oc1cccc(Cl)c1)c1ccsc1 ZINC000031988127 820885817 /nfs/dbraw/zinc/88/58/17/820885817.db2.gz RFTMFFOCVDWBPS-KBXCAEBGSA-N 1 0 380.941 4.368 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)c1ccccc1C(F)(F)F)c1cccc(-n2ccnc2)c1 ZINC000189900559 823511718 /nfs/dbraw/zinc/51/17/18/823511718.db2.gz LXSABULPEQLSTM-AUUYWEPGSA-N 1 0 375.394 4.275 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1oc2ccccc2c1COC)c1ccsc1 ZINC000031992942 820887117 /nfs/dbraw/zinc/88/71/17/820887117.db2.gz FGQQDISFDDRSTK-SFHVURJKSA-N 1 0 386.517 4.454 20 0 GIADRO Cc1ccc([C@H](CNC(=O)CCc2c[nH]c3ccccc23)[NH+]2CCCC2)cc1 ZINC000060238976 823512851 /nfs/dbraw/zinc/51/28/51/823512851.db2.gz UKTALHWISSKQMP-QHCPKHFHSA-N 1 0 375.516 4.362 20 0 GIADRO C[C@H](CCNC(=O)N(CCC(F)(F)F)Cc1ccccc1)[NH+]1CCCCC1 ZINC000189914212 823513265 /nfs/dbraw/zinc/51/32/65/823513265.db2.gz KDZHFOIOOZPFND-QGZVFWFLSA-N 1 0 385.474 4.415 20 0 GIADRO Cc1ccc(CNC(=O)C2CC[NH+]([C@@H]3CCc4ccc(F)cc43)CC2)cc1F ZINC000177686593 823513581 /nfs/dbraw/zinc/51/35/81/823513581.db2.gz YHQPFUNFFJFUES-JOCHJYFZSA-N 1 0 384.470 4.289 20 0 GIADRO Cc1cc(C)n(-c2ccccc2C[NH2+][C@H](C)CC(=O)Nc2cccnc2Cl)n1 ZINC000123492625 823514321 /nfs/dbraw/zinc/51/43/21/823514321.db2.gz UUWJHDAANHQXDD-CQSZACIVSA-N 1 0 397.910 4.044 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(C(=O)OC)s1)c1ccccc1Cl ZINC000032317779 820914064 /nfs/dbraw/zinc/91/40/64/820914064.db2.gz ZSHZWIANZAFOCE-HNNXBMFYSA-N 1 0 394.924 4.001 20 0 GIADRO CC(C)(CC(=O)NC1CC[NH+](Cc2cccnc2)CC1)Cc1ccc(Cl)cc1 ZINC000189957712 823517946 /nfs/dbraw/zinc/51/79/46/823517946.db2.gz VPSWPKCEEVGAII-UHFFFAOYSA-N 1 0 399.966 4.475 20 0 GIADRO CC(C)(CNC(=O)c1ccccc1C(F)(F)F)[N@@H+]1CCc2ccccc2C1 ZINC000032369253 820927199 /nfs/dbraw/zinc/92/71/99/820927199.db2.gz HVWONQDQRMPUCE-UHFFFAOYSA-N 1 0 376.422 4.272 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)COc1cccc2[nH]ccc21)c1ccc(Br)cc1 ZINC000177731482 823518134 /nfs/dbraw/zinc/51/81/34/823518134.db2.gz LQPCURBMIYNQQP-XJKSGUPXSA-N 1 0 389.293 4.021 20 0 GIADRO CCOc1ccc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1OCC ZINC000032462149 820949377 /nfs/dbraw/zinc/94/93/77/820949377.db2.gz LKNSPYNITPXCOE-UHFFFAOYSA-N 1 0 382.504 4.010 20 0 GIADRO Cc1nc(C)c([C@@H](C)[NH2+]C[C@H](c2ccccc2Cl)N2CCOCC2)s1 ZINC000177723442 823516822 /nfs/dbraw/zinc/51/68/22/823516822.db2.gz MMFHVVHJMQASIX-FZKQIMNGSA-N 1 0 379.957 4.137 20 0 GIADRO Cc1cncc(C[NH+]2CCC(C(=O)Nc3ccccc3Br)CC2)c1 ZINC000189948755 823516983 /nfs/dbraw/zinc/51/69/83/823516983.db2.gz MVOBQHSOGQPQEQ-UHFFFAOYSA-N 1 0 388.309 4.003 20 0 GIADRO CC[C@H]([NH2+]CC(=O)Nc1ccccc1Br)c1ccc(OC)cc1 ZINC000124136339 823570867 /nfs/dbraw/zinc/57/08/67/823570867.db2.gz QXVIQVREVLUEAZ-INIZCTEOSA-N 1 0 377.282 4.137 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)CCCc1ncc(-c2ccccc2)o1)c1ccsc1 ZINC000032638229 820982514 /nfs/dbraw/zinc/98/25/14/820982514.db2.gz GDYQHUBIUQZOBJ-SFHVURJKSA-N 1 0 383.517 4.145 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@@H]2CCOc3c(C)cccc32)CC1 ZINC000189998230 823523721 /nfs/dbraw/zinc/52/37/21/823523721.db2.gz BRGDFZYDQBTQPT-JOCHJYFZSA-N 1 0 393.531 4.091 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)COc1ccccc1-c1ccccc1)c1cccc(F)c1 ZINC000032732329 820999807 /nfs/dbraw/zinc/99/98/07/820999807.db2.gz DKEFTWFOWDNWCW-QFIPXVFZSA-N 1 0 392.474 4.291 20 0 GIADRO CCc1ccc([C@H](CNC(=O)c2c(C)onc2-c2ccccc2)[NH+](C)C)cc1 ZINC000032733713 821000678 /nfs/dbraw/zinc/00/06/78/821000678.db2.gz BXWNQQIRASYOCF-FQEVSTJZSA-N 1 0 377.488 4.245 20 0 GIADRO CCc1ccc([C@@H](CNC(=O)c2cc(-c3ccccc3F)on2)[NH+](C)C)cc1 ZINC000032735243 821001140 /nfs/dbraw/zinc/00/11/40/821001140.db2.gz RVENOOVDHISJNG-HXUWFJFHSA-N 1 0 381.451 4.076 20 0 GIADRO C[C@H](Oc1cccc(Cl)c1)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000032761560 821004299 /nfs/dbraw/zinc/00/42/99/821004299.db2.gz ZJCWOOCSQVTJMY-YOEHRIQHSA-N 1 0 378.925 4.122 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1)c1cnn(Cc2ccccc2)c1 ZINC000177756210 823521468 /nfs/dbraw/zinc/52/14/68/823521468.db2.gz RVZTWONDVJGYKK-ZWKOTPCHSA-N 1 0 390.487 4.300 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)c2cccc(OCc3cccnc3)c2)CC1 ZINC000123565879 823522051 /nfs/dbraw/zinc/52/20/51/823522051.db2.gz HKYSAZKGOGLRTF-UHFFFAOYSA-N 1 0 395.547 4.245 20 0 GIADRO C[NH+]1CCN(c2ccccc2NC(=O)c2ccc3c(c2)Cc2ccccc2-3)CC1 ZINC000032946171 821021846 /nfs/dbraw/zinc/02/18/46/821021846.db2.gz AICLUGJCSRAQJM-UHFFFAOYSA-N 1 0 383.495 4.262 20 0 GIADRO CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@H](C)c2cc(Cl)ccc2Cl)cc1 ZINC000190000307 823523975 /nfs/dbraw/zinc/52/39/75/823523975.db2.gz UGHBFFZNFXKMMW-MLGOLLRUSA-N 1 0 397.302 4.042 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)c2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000060404465 823523982 /nfs/dbraw/zinc/52/39/82/823523982.db2.gz HVGUSBXSOYREBK-UHFFFAOYSA-N 1 0 377.941 4.410 20 0 GIADRO C[C@@H](CNC(=O)c1c2ccccc2nc2c1CCC/C2=C\c1ccco1)[NH+](C)C ZINC000033093946 821032696 /nfs/dbraw/zinc/03/26/96/821032696.db2.gz OFNAJYCORJGKSL-WUVIJCSQSA-N 1 0 389.499 4.385 20 0 GIADRO C[C@H]([NH2+]CCOc1ccc2ccccc2c1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000177768036 823523291 /nfs/dbraw/zinc/52/32/91/823523291.db2.gz JCYHGKKKNVDOBK-HNNXBMFYSA-N 1 0 387.476 4.112 20 0 GIADRO CCCOc1c(Cl)cc(C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)cc1OC ZINC000060395174 823523314 /nfs/dbraw/zinc/52/33/14/823523314.db2.gz IUVWMYSHXCTXBS-UHFFFAOYSA-N 1 0 396.959 4.330 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)c2cc(F)cc(Br)c2)CC1 ZINC000123579339 823523429 /nfs/dbraw/zinc/52/34/29/823523429.db2.gz QJWSXZHHLQLHRY-UHFFFAOYSA-N 1 0 385.321 4.172 20 0 GIADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)/C=C/c2ccccc2OC(F)(F)F)o1 ZINC000060407053 823524221 /nfs/dbraw/zinc/52/42/21/823524221.db2.gz GBYQBHVNVZSJIG-PKNBQFBNSA-N 1 0 396.409 4.090 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1csc(-c2ccc(Cl)s2)n1 ZINC000177768977 823523510 /nfs/dbraw/zinc/52/35/10/823523510.db2.gz GLUWGHSCCABYEW-NEPJUHHUSA-N 1 0 381.954 4.224 20 0 GIADRO CC[C@H](NC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1c(C)noc1C ZINC000123631074 823527683 /nfs/dbraw/zinc/52/76/83/823527683.db2.gz VBRDOUZSKJBHPS-PMACEKPBSA-N 1 0 384.524 4.049 20 0 GIADRO Cc1cc(C(=O)NCCC[NH+]2CCC(C)CC2)cc(C)c1OCc1cccnc1 ZINC000033222189 821050634 /nfs/dbraw/zinc/05/06/34/821050634.db2.gz BOGLVHKLSUYGDK-UHFFFAOYSA-N 1 0 395.547 4.129 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc(C(F)(F)F)n2)[C@@H]1c1cccs1 ZINC000123631739 823527859 /nfs/dbraw/zinc/52/78/59/823527859.db2.gz HTMRARDLJMVGGE-BLLLJJGKSA-N 1 0 398.454 4.367 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)CCC(=O)c2cc(C)sc2C)CC1 ZINC000123631555 823527920 /nfs/dbraw/zinc/52/79/20/823527920.db2.gz UEBNCPXJVWUHEY-UHFFFAOYSA-N 1 0 378.582 4.298 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 ZINC000177809593 823528643 /nfs/dbraw/zinc/52/86/43/823528643.db2.gz QQTQXKIYRGPIAT-AEFFLSMTSA-N 1 0 394.544 4.094 20 0 GIADRO O=C(NCc1ccc(Oc2ccccc2)cc1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000036188124 821069418 /nfs/dbraw/zinc/06/94/18/821069418.db2.gz HINANNJLAJWXDV-FQEVSTJZSA-N 1 0 379.504 4.249 20 0 GIADRO Cc1ncc([C@H](C)[NH2+]C[C@@H](O)c2cccc(OCc3ccccc3)c2)c(C)n1 ZINC000123648093 823529107 /nfs/dbraw/zinc/52/91/07/823529107.db2.gz NMQOWEGKLHCRRH-QMHKHESXSA-N 1 0 377.488 4.057 20 0 GIADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@H](C)c2ccc3ccccc3n2)cc1 ZINC000177818561 823530126 /nfs/dbraw/zinc/53/01/26/823530126.db2.gz PHWCQUOMHIPJEK-QGZVFWFLSA-N 1 0 397.544 4.116 20 0 GIADRO Cc1nc(C)c(C[NH2+]Cc2cc(Br)ccc2OC(F)F)s1 ZINC000123648925 823529334 /nfs/dbraw/zinc/52/93/34/823529334.db2.gz KVEKDSPRUKTKCP-UHFFFAOYSA-N 1 0 377.254 4.414 20 0 GIADRO O=C(CCCc1c[nH]c2ccccc12)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000036659935 821074073 /nfs/dbraw/zinc/07/40/73/821074073.db2.gz VSGIIPVBZHCLRE-QHCPKHFHSA-N 1 0 375.516 4.444 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Cc1ccc(Br)cc1)c1ccccc1 ZINC000036692870 821076248 /nfs/dbraw/zinc/07/62/48/821076248.db2.gz YNUWFINDFXBCKU-LJQANCHMSA-N 1 0 389.337 4.191 20 0 GIADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)CCc2ncc(-c3ccc(C)cc3)o2)o1 ZINC000060407280 823524232 /nfs/dbraw/zinc/52/42/32/823524232.db2.gz IHJCMLDVIATKPL-UHFFFAOYSA-N 1 0 395.503 4.074 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)CSc2cc(Cl)ccc2Cl)CC1 ZINC000060404890 823524307 /nfs/dbraw/zinc/52/43/07/823524307.db2.gz UXRVOTCKHIBWCA-UHFFFAOYSA-N 1 0 375.365 4.418 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)c1cc(Br)ccc1F ZINC000177775044 823524323 /nfs/dbraw/zinc/52/43/23/823524323.db2.gz MRGNBKVRHMCVAV-ZDUSSCGKSA-N 1 0 389.272 4.079 20 0 GIADRO O=C(NCc1sccc1Br)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000060455128 823529540 /nfs/dbraw/zinc/52/95/40/823529540.db2.gz PNEVKZDTJWZDNU-HNNXBMFYSA-N 1 0 393.350 4.039 20 0 GIADRO CCCCOc1ccc(C(=O)Nc2ccccc2N2CC[NH+](CC)CC2)cc1 ZINC000036772500 821082053 /nfs/dbraw/zinc/08/20/53/821082053.db2.gz JBIMAGURAFCLDB-UHFFFAOYSA-N 1 0 381.520 4.260 20 0 GIADRO CC(C)(C)n1cc(C[NH2+]CC2(c3cccc(C(F)(F)F)c3)CCOCC2)cn1 ZINC000123597157 823524641 /nfs/dbraw/zinc/52/46/41/823524641.db2.gz BETMOZKBZYFNCF-UHFFFAOYSA-N 1 0 395.469 4.495 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)CSc3ccc(F)cc3)cc2)C1 ZINC000060414210 823524862 /nfs/dbraw/zinc/52/48/62/823524862.db2.gz KWLPGKBVBCBGAQ-QGZVFWFLSA-N 1 0 386.536 4.466 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)CCc2ncc(-c3ccccc3)o2)CC1 ZINC000123600214 823524935 /nfs/dbraw/zinc/52/49/35/823524935.db2.gz HACBEQJVXUJCKC-UHFFFAOYSA-N 1 0 383.536 4.245 20 0 GIADRO COc1ccccc1OCCC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000060414223 823525019 /nfs/dbraw/zinc/52/50/19/823525019.db2.gz DXTBMSPYGYFMKY-LJQANCHMSA-N 1 0 396.531 4.012 20 0 GIADRO COc1ccc([C@@H](CNC(=O)CCc2ccc(Cl)cc2)[NH+]2CCCC2)cc1 ZINC000037124719 821090055 /nfs/dbraw/zinc/09/00/55/821090055.db2.gz RSELJUDJYDIYDH-OAQYLSRUSA-N 1 0 386.923 4.235 20 0 GIADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2ccc3ccccc3n2)cc1 ZINC000177818558 823530174 /nfs/dbraw/zinc/53/01/74/823530174.db2.gz PHWCQUOMHIPJEK-KRWDZBQOSA-N 1 0 397.544 4.116 20 0 GIADRO O=C(COc1ccc2ccccc2c1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000038583411 821098053 /nfs/dbraw/zinc/09/80/53/821098053.db2.gz ABBRMEUTPTYUBS-UHFFFAOYSA-N 1 0 388.511 4.247 20 0 GIADRO COc1ccc(/C=C/C(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCCC2)cc1 ZINC000038614891 821098196 /nfs/dbraw/zinc/09/81/96/821098196.db2.gz DXJLLLXEJSGDQE-RJVUUZSNSA-N 1 0 394.515 4.060 20 0 GIADRO COc1ccc(/C=C/C(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCCC2)cc1 ZINC000038614889 821098611 /nfs/dbraw/zinc/09/86/11/821098611.db2.gz DXJLLLXEJSGDQE-XAYULXIRSA-N 1 0 394.515 4.060 20 0 GIADRO COc1cc(C[N@H+](Cc2ccc(Oc3cnccn3)cc2)C2CC2)ccc1O ZINC000190014993 823525935 /nfs/dbraw/zinc/52/59/35/823525935.db2.gz MGDZTMQXJGPJER-UHFFFAOYSA-N 1 0 377.444 4.148 20 0 GIADRO CCS[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1ccccc1Br ZINC000190014045 823526089 /nfs/dbraw/zinc/52/60/89/823526089.db2.gz CVRHIVQCDFWTOB-VBNZEHGJSA-N 1 0 385.371 4.430 20 0 GIADRO COc1ccccc1NC(=S)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000060431326 823526757 /nfs/dbraw/zinc/52/67/57/823526757.db2.gz DZYRBMUSQZSPTF-HXUWFJFHSA-N 1 0 383.561 4.455 20 0 GIADRO Cc1cc([C@@H](C)[NH2+]Cc2ccc(S(=O)(=O)N3CCCC3)cc2)c(C)s1 ZINC000177895179 823542952 /nfs/dbraw/zinc/54/29/52/823542952.db2.gz SDJBQVDDQBOSBW-OAHLLOKOSA-N 1 0 378.563 4.000 20 0 GIADRO COC(=O)C[C@@](C)([NH2+]C[C@@H](C)c1cccc(Br)c1)c1ccncc1 ZINC000190022275 823527102 /nfs/dbraw/zinc/52/71/02/823527102.db2.gz QVOQHSYNIMWIOO-AUUYWEPGSA-N 1 0 391.309 4.016 20 0 GIADRO C[C@@H]1C[N@@H+](CCCCNC(=O)Cc2coc3ccc4ccccc4c23)C[C@H](C)O1 ZINC000123681776 823531292 /nfs/dbraw/zinc/53/12/92/823531292.db2.gz NVMSJPXKFNIMSM-HDICACEKSA-N 1 0 394.515 4.134 20 0 GIADRO COc1ccc(CCC2CC[NH+](Cc3cccc(C(=O)N(C)C)c3)CC2)cc1 ZINC000060466534 823531326 /nfs/dbraw/zinc/53/13/26/823531326.db2.gz OCTOACZKFLEAOR-UHFFFAOYSA-N 1 0 380.532 4.242 20 0 GIADRO COc1cc(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)ccc1OCc1ccc(Cl)cc1 ZINC000190055510 823531350 /nfs/dbraw/zinc/53/13/50/823531350.db2.gz WLIZHZZALAUBBB-KXBFYZLASA-N 1 0 375.896 4.130 20 0 GIADRO C[C@@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)c1cccc(OC(F)(F)F)c1 ZINC000177824449 823531375 /nfs/dbraw/zinc/53/13/75/823531375.db2.gz WKJGLGVSYAJWFP-CYBMUJFWSA-N 1 0 382.382 4.134 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@@H]1CCO[C@H]1c1ccccc1 ZINC000190057019 823531539 /nfs/dbraw/zinc/53/15/39/823531539.db2.gz WYFYJQSEDUAKRP-GMAHTHKFSA-N 1 0 395.547 4.104 20 0 GIADRO O=C(CCN1c2ccccc2Sc2ccccc21)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000060470215 823531732 /nfs/dbraw/zinc/53/17/32/823531732.db2.gz WWLNURGARNFELM-INIZCTEOSA-N 1 0 379.529 4.032 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)N1CC2(CCC2)[C@@H]1C1CC1)c1cccc(C(F)(F)F)c1 ZINC000460882933 823535532 /nfs/dbraw/zinc/53/55/32/823535532.db2.gz NHGVHKJWHPRJOL-MSOLQXFVSA-N 1 0 395.469 4.282 20 0 GIADRO COc1ccc(Cc2nc(C)c([C@H](C)[NH2+][C@H](CCO)C(C)C)s2)cc1OC ZINC000123690292 823532118 /nfs/dbraw/zinc/53/21/18/823532118.db2.gz LOHWTAVBGYIJLJ-WMLDXEAASA-N 1 0 392.565 4.117 20 0 GIADRO COc1ccc(OCCC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000060475121 823532227 /nfs/dbraw/zinc/53/22/27/823532227.db2.gz JZMQEFQNJMJRCY-LJQANCHMSA-N 1 0 396.531 4.012 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1cccc(OC(F)(F)F)c1 ZINC000177828249 823532278 /nfs/dbraw/zinc/53/22/78/823532278.db2.gz KMMIHCMAPDIMEE-QWHCGFSZSA-N 1 0 387.423 4.401 20 0 GIADRO COCc1cccc(C[NH2+]C[C@@H](O)c2cccc(OCc3ccccc3)c2)c1 ZINC000177831515 823532884 /nfs/dbraw/zinc/53/28/84/823532884.db2.gz JVVPNMDYUSPZKP-XMMPIXPASA-N 1 0 377.484 4.235 20 0 GIADRO O=C(CC[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1)Nc1cccc(F)c1 ZINC000060482772 823533034 /nfs/dbraw/zinc/53/30/34/823533034.db2.gz DAQBEBZCIWGZIK-UHFFFAOYSA-N 1 0 388.870 4.403 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C ZINC000177832163 823533175 /nfs/dbraw/zinc/53/31/75/823533175.db2.gz IQHWLYSXWRUCMI-CVEARBPZSA-N 1 0 375.561 4.026 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)[C@H](C)Cc1ccc(F)cc1)[NH+]1CCCCC1 ZINC000040654334 821163363 /nfs/dbraw/zinc/16/33/63/821163363.db2.gz NGRHZKSFSOLFIL-XMSQKQJNSA-N 1 0 398.522 4.356 20 0 GIADRO CCCc1noc2nc(C3CC3)cc(C(=O)NCc3cccc(C[NH+](C)C)c3)c12 ZINC000060506331 823535676 /nfs/dbraw/zinc/53/56/76/823535676.db2.gz QOGLLDBYEGRIDJ-UHFFFAOYSA-N 1 0 392.503 4.044 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)CCc1ncc(-c2ccccc2)o1)c1ccc(Cl)cc1 ZINC000041020098 821167308 /nfs/dbraw/zinc/16/73/08/821167308.db2.gz KEFYNPFKDJJJPP-LJQANCHMSA-N 1 0 397.906 4.347 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)CCCOc2cccc3ccccc32)c1 ZINC000060506323 823535714 /nfs/dbraw/zinc/53/57/14/823535714.db2.gz PYHNXPWNTJINAK-UHFFFAOYSA-N 1 0 376.500 4.377 20 0 GIADRO CCC[NH+]1CCC(NC(=O)c2cc(C3CC3)nc3onc(CC(C)(C)C)c32)CC1 ZINC000060490088 823533992 /nfs/dbraw/zinc/53/39/92/823533992.db2.gz KOZFKGAJWPILBF-UHFFFAOYSA-N 1 0 398.551 4.293 20 0 GIADRO CC(C)C[NH+]1CCC(N[C@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)CC1 ZINC000177837152 823534158 /nfs/dbraw/zinc/53/41/58/823534158.db2.gz LDGQXIYMBMVAFA-GOSISDBHSA-N 1 0 392.609 4.174 20 0 GIADRO CC(C)[C@H](CNC(=O)CCc1ncc(-c2ccccc2)o1)[NH+]1CCC(C)CC1 ZINC000041401386 821188735 /nfs/dbraw/zinc/18/87/35/821188735.db2.gz UNEYLBITTRMHNP-FQEVSTJZSA-N 1 0 383.536 4.147 20 0 GIADRO Cc1ccc(NC(=S)C(C(=O)c2ccc(C)cc2)[n+]2cccc(CO)c2)cc1 ZINC000041466164 821194743 /nfs/dbraw/zinc/19/47/43/821194743.db2.gz BZHJSVBJYGLJAA-UHFFFAOYSA-O 1 0 391.516 4.134 20 0 GIADRO O=C(NCc1ccc(C(F)F)cc1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460880728 823535187 /nfs/dbraw/zinc/53/51/87/823535187.db2.gz INSISWHAUSJKJZ-LEWJYISDSA-N 1 0 399.485 4.288 20 0 GIADRO CC(C)(C(=O)NCCC[NH+]1CCCCCC1)c1ccc(Br)cc1 ZINC000060501771 823535256 /nfs/dbraw/zinc/53/52/56/823535256.db2.gz ZOCRHUVKNXQAEU-UHFFFAOYSA-N 1 0 381.358 4.109 20 0 GIADRO O=C(NCc1ccc(C(F)F)cc1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460880730 823535282 /nfs/dbraw/zinc/53/52/82/823535282.db2.gz INSISWHAUSJKJZ-NHCUHLMSSA-N 1 0 399.485 4.288 20 0 GIADRO CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@H]1CCO[C@H](c2ccccc2)C1 ZINC000460888015 823536344 /nfs/dbraw/zinc/53/63/44/823536344.db2.gz VGHIBKSPEJSOAS-VXKWHMMOSA-N 1 0 387.568 4.204 20 0 GIADRO C[C@H](Cn1ccnc1)[NH2+][C@@H](C)c1ccc(Br)cc1Br ZINC000041650555 821216011 /nfs/dbraw/zinc/21/60/11/821216011.db2.gz XKMQJULOLUFQAU-MNOVXSKESA-N 1 0 387.119 4.147 20 0 GIADRO CCOc1ccc([C@@H](NC(=O)N2CC[C@H](C[N@H+](C)CC)C2)c2ccccc2)cc1 ZINC000177857030 823537132 /nfs/dbraw/zinc/53/71/32/823537132.db2.gz IKKBAMZTMUBYKV-XXBNENTESA-N 1 0 395.547 4.158 20 0 GIADRO CC(=O)Nc1ccc(NC(=S)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000041728703 821219504 /nfs/dbraw/zinc/21/95/04/821219504.db2.gz BOCWXYWCYJUUGY-UHFFFAOYSA-N 1 0 396.560 4.118 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=S)Nc1ccc(C(C)=O)cc1)c1ccsc1 ZINC000041746713 821221738 /nfs/dbraw/zinc/22/17/38/821221738.db2.gz CYHMBCKCWCDFSK-SFHVURJKSA-N 1 0 375.563 4.320 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)NC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000177863850 823538135 /nfs/dbraw/zinc/53/81/35/823538135.db2.gz VNMVQXUVISRJRT-INIZCTEOSA-N 1 0 387.474 4.037 20 0 GIADRO C[C@@H]([NH2+]C[C@H](C)N1CCc2sccc2C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000177864301 823538189 /nfs/dbraw/zinc/53/81/89/823538189.db2.gz BGGBTNOYSDCNMW-JKSUJKDBSA-N 1 0 398.576 4.129 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1ccccc1SCC#N)c1cccc(OC)c1 ZINC000041844362 821236751 /nfs/dbraw/zinc/23/67/51/821236751.db2.gz JTWGZPVDQGMJFV-HXUWFJFHSA-N 1 0 397.544 4.124 20 0 GIADRO COc1cc(C[NH2+][C@H](C)COc2cccc(F)c2)ccc1OCc1ccncc1 ZINC000060527570 823538531 /nfs/dbraw/zinc/53/85/31/823538531.db2.gz GSABWZPPMJSSFO-QGZVFWFLSA-N 1 0 396.462 4.365 20 0 GIADRO COc1cc([C@H](C)[NH2+]C2CCN(CC(F)(F)F)CC2)ccc1OCC(C)C ZINC000177868564 823538911 /nfs/dbraw/zinc/53/89/11/823538911.db2.gz KSPZPCGTRIFRLJ-HNNXBMFYSA-N 1 0 388.474 4.407 20 0 GIADRO C[C@H](Cc1ccc(Cl)cc1)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000123771033 823539265 /nfs/dbraw/zinc/53/92/65/823539265.db2.gz UCDCDOIUZOAAIS-OAHLLOKOSA-N 1 0 387.911 4.048 20 0 GIADRO N#Cc1ccccc1/C=C/C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000042034045 821256341 /nfs/dbraw/zinc/25/63/41/821256341.db2.gz MVVCGOYLNKOVGA-JXMROGBWSA-N 1 0 379.891 4.006 20 0 GIADRO COc1cccc([C@@H]2CCC[N@@H+]2Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)c1 ZINC000042122681 821269799 /nfs/dbraw/zinc/26/97/99/821269799.db2.gz RZSHFPKHCJPVKR-CTNGQTDRSA-N 1 0 398.466 4.069 20 0 GIADRO C[NH+](C)CC1CCN(c2ccc(NC(=O)c3nc4ccccc4s3)cc2)CC1 ZINC000123792298 823541362 /nfs/dbraw/zinc/54/13/62/823541362.db2.gz HSQGIOWESSEVSS-UHFFFAOYSA-N 1 0 394.544 4.327 20 0 GIADRO COc1ccc([C@@H](O)C[NH2+]Cc2ccc(OC)c(OCc3ccccc3)c2)cc1 ZINC000042202299 821282904 /nfs/dbraw/zinc/28/29/04/821282904.db2.gz WRUFQLDODAEBGX-QFIPXVFZSA-N 1 0 393.483 4.106 20 0 GIADRO COc1ccc(C[NH2+][C@H](C)c2ccc3c(c2)OCO3)cc1OCc1cccnc1 ZINC000042202984 821283256 /nfs/dbraw/zinc/28/32/56/821283256.db2.gz IKICMZGWSGWMRE-MRXNPFEDSA-N 1 0 392.455 4.249 20 0 GIADRO COc1ccc([C@@H](O)C[NH2+]Cc2ccc(OCc3cccs3)c(OC)c2)cc1 ZINC000042202361 821283329 /nfs/dbraw/zinc/28/33/29/821283329.db2.gz QFZARFUBQQLKGD-FQEVSTJZSA-N 1 0 399.512 4.168 20 0 GIADRO O=C(c1ccco1)N1CCC([NH2+]Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000042206587 821283941 /nfs/dbraw/zinc/28/39/41/821283941.db2.gz NWVWDZGZUNTROA-UHFFFAOYSA-N 1 0 390.483 4.253 20 0 GIADRO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000042207791 821284429 /nfs/dbraw/zinc/28/44/29/821284429.db2.gz GEWMWNCMFWVPKI-UHFFFAOYSA-N 1 0 389.547 4.142 20 0 GIADRO CC(C)C[NH+]1CCN([C@@H](C)C(=O)Nc2ccccc2Oc2ccccc2)CC1 ZINC000042508412 821309562 /nfs/dbraw/zinc/30/95/62/821309562.db2.gz QVGHWXJAQVLTLD-IBGZPJMESA-N 1 0 381.520 4.080 20 0 GIADRO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(OCc2ccccc2)CC1 ZINC000042563668 821310229 /nfs/dbraw/zinc/31/02/29/821310229.db2.gz PQACVRSHPVLHEW-PMACEKPBSA-N 1 0 380.532 4.242 20 0 GIADRO CC(C)C[C@@H](CNC(=O)COc1ccc(C2SCCCS2)cc1)[NH+](C)C ZINC000042585401 821312810 /nfs/dbraw/zinc/31/28/10/821312810.db2.gz VDJHHYZLZXLQOJ-KRWDZBQOSA-N 1 0 396.622 4.027 20 0 GIADRO CC(C)C[C@@H](CNC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)[NH+](C)C ZINC000042587571 821312888 /nfs/dbraw/zinc/31/28/88/821312888.db2.gz NJNLMZGJFVOUNC-KRWDZBQOSA-N 1 0 377.916 4.020 20 0 GIADRO COc1ccc([C@@H](CNC(=O)N(C)[C@@H]2CCc3ccccc32)[NH+]2CCCC2)cc1 ZINC000042626354 821315861 /nfs/dbraw/zinc/31/58/61/821315861.db2.gz IOSNOKWGZQWLQG-DHIUTWEWSA-N 1 0 393.531 4.161 20 0 GIADRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCC(c3ccc(O)cc3)CC2)cc1 ZINC000042633637 821316643 /nfs/dbraw/zinc/31/66/43/821316643.db2.gz UTHZDNNLMHKDJI-IBGZPJMESA-N 1 0 391.515 4.215 20 0 GIADRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(OCc3nccn3C)cc2)cc1 ZINC000042743600 821329700 /nfs/dbraw/zinc/32/97/00/821329700.db2.gz ZHRAGQRCDDSUBJ-QFIPXVFZSA-N 1 0 377.488 4.345 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1ncoc1-c1ccccc1Cl)c1ccco1 ZINC000460916050 823541549 /nfs/dbraw/zinc/54/15/49/823541549.db2.gz YLXIUCJCZWQEDU-MRXNPFEDSA-N 1 0 387.867 4.401 20 0 GIADRO CC[NH+]1CCC(N(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000043056699 821357392 /nfs/dbraw/zinc/35/73/92/821357392.db2.gz KAYXRQNJJHMYNV-UHFFFAOYSA-N 1 0 382.348 4.281 20 0 GIADRO Cc1cc(CSc2ccccc2C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)on1 ZINC000043085738 821358946 /nfs/dbraw/zinc/35/89/46/821358946.db2.gz TVVBYOOQNWJFLM-DLBZAZTESA-N 1 0 387.549 4.268 20 0 GIADRO CC(C)[C@H](NC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)c1nc2ccccc2[nH]1 ZINC000043107336 821362130 /nfs/dbraw/zinc/36/21/30/821362130.db2.gz ZDALQJZIDXGONH-UXHICEINSA-N 1 0 397.498 4.001 20 0 GIADRO COc1ccc([C@@H](CNC(=O)N(Cc2cccs2)C2CC2)[NH+]2CCCC2)cc1 ZINC000043111202 821362716 /nfs/dbraw/zinc/36/27/16/821362716.db2.gz SAOXPMVSJXTFEN-OAQYLSRUSA-N 1 0 399.560 4.268 20 0 GIADRO CC(C)[NH+]1CCC(N(C)C(=O)CCCOc2ccc(Cl)cc2Cl)CC1 ZINC000043113686 821363156 /nfs/dbraw/zinc/36/31/56/821363156.db2.gz FEQOSTOFTXJRLH-UHFFFAOYSA-N 1 0 387.351 4.484 20 0 GIADRO Cc1cccc(N2CC[NH+](CCCCNC(=O)Nc3cc(C)ccc3C)CC2)c1 ZINC000043121466 821364511 /nfs/dbraw/zinc/36/45/11/821364511.db2.gz FRRJCRKWFBBONA-UHFFFAOYSA-N 1 0 394.563 4.336 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)Nc1ccccc1Br ZINC000043133641 821365167 /nfs/dbraw/zinc/36/51/67/821365167.db2.gz ILIBRQLAHUAFOJ-INIZCTEOSA-N 1 0 392.297 4.391 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)Nc1ccccc1Br ZINC000043133642 821365287 /nfs/dbraw/zinc/36/52/87/821365287.db2.gz ILIBRQLAHUAFOJ-MRXNPFEDSA-N 1 0 392.297 4.391 20 0 GIADRO CN(Cc1ccccc1C(F)(F)F)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000043145147 821368169 /nfs/dbraw/zinc/36/81/69/821368169.db2.gz GPULGLKQEBLBFZ-OAHLLOKOSA-N 1 0 385.455 4.211 20 0 GIADRO CCC(CC)n1nc(C(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)cc1C ZINC000180624578 821373137 /nfs/dbraw/zinc/37/31/37/821373137.db2.gz GGRJWFUBQGNOOT-GOSISDBHSA-N 1 0 382.552 4.289 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(NC(=O)OC)cc1)c1ccccc1 ZINC000043230319 821377081 /nfs/dbraw/zinc/37/70/81/821377081.db2.gz AWAPIWLCOBRZOA-LJQANCHMSA-N 1 0 384.480 4.070 20 0 GIADRO O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000043192738 821377207 /nfs/dbraw/zinc/37/72/07/821377207.db2.gz FIMSMZMRLWIDPP-UHFFFAOYSA-N 1 0 393.409 4.325 20 0 GIADRO CC[C@@H]([NH2+]Cc1cc(=O)oc2cc(C)c(C)cc12)c1ccc2c(c1)OCCO2 ZINC000180636953 821377473 /nfs/dbraw/zinc/37/74/73/821377473.db2.gz BHAQTIRHLPPFBD-LJQANCHMSA-N 1 0 379.456 4.422 20 0 GIADRO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccccc1SC)c1ccc2c(c1)OCCO2 ZINC000180638432 821377785 /nfs/dbraw/zinc/37/77/85/821377785.db2.gz OVWYNNUACLDYRL-GDBMZVCRSA-N 1 0 386.517 4.248 20 0 GIADRO COc1cccc([C@H]2CCCN2C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000043231129 821377920 /nfs/dbraw/zinc/37/79/20/821377920.db2.gz HVCZRTOAAKJQLI-WOJBJXKFSA-N 1 0 399.560 4.440 20 0 GIADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N1CCC[C@@H]1c1ccsc1 ZINC000043231551 821378043 /nfs/dbraw/zinc/37/80/43/821378043.db2.gz NKVXVEBEGLLINH-IAGOWNOFSA-N 1 0 375.563 4.493 20 0 GIADRO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)cc1 ZINC000180638521 821378289 /nfs/dbraw/zinc/37/82/89/821378289.db2.gz KTUDAGUVRGXBHK-IRLDBZIGSA-N 1 0 395.478 4.313 20 0 GIADRO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)N(Cc1ccco1)Cc1ccccc1 ZINC000043240102 821380373 /nfs/dbraw/zinc/38/03/73/821380373.db2.gz SIEXFJMWOSYDER-QFIPXVFZSA-N 1 0 389.499 4.266 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1Cl)c1cccc(-n2ccnc2)c1 ZINC000180647022 821381090 /nfs/dbraw/zinc/38/10/90/821381090.db2.gz YWKABUMWENGBOG-ZDUSSCGKSA-N 1 0 389.286 4.468 20 0 GIADRO NC(=O)COc1cccc(C[NH2+][C@H](c2ccc(F)cc2)c2ccc(Cl)cc2)c1 ZINC000180649821 821382867 /nfs/dbraw/zinc/38/28/67/821382867.db2.gz YYIRSGWMJHRIJF-QFIPXVFZSA-N 1 0 398.865 4.222 20 0 GIADRO CCOC(=O)Nc1ccc(C(=O)NCc2cccc(C[NH+](CC)CC)c2)cc1 ZINC000043270667 821384356 /nfs/dbraw/zinc/38/43/56/821384356.db2.gz ATXNCWSCCQXOJU-UHFFFAOYSA-N 1 0 383.492 4.027 20 0 GIADRO COC(=O)CC[C@H]([NH2+][C@H](C)c1cnn(Cc2ccccc2)c1)c1ccccc1 ZINC000180666422 821387824 /nfs/dbraw/zinc/38/78/24/821387824.db2.gz QBOXDUOELVYEDN-GCJKJVERSA-N 1 0 377.488 4.277 20 0 GIADRO COc1ccc(NC(=O)[C@@H]([NH2+]CCc2ccccn2)c2ccccc2)cc1Cl ZINC000043305261 821388581 /nfs/dbraw/zinc/38/85/81/821388581.db2.gz RQRUBAMERFOGAZ-NRFANRHFSA-N 1 0 395.890 4.256 20 0 GIADRO C[C@H]([NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)c1cccc(-n2ccnc2)c1 ZINC000180671361 821390209 /nfs/dbraw/zinc/39/02/09/821390209.db2.gz XWCHBDCPPOABRZ-IVMQYODDSA-N 1 0 384.524 4.359 20 0 GIADRO C[C@@H]([NH2+]CCOc1ccc(F)c(F)c1)c1ccc(OCc2nccn2C)cc1 ZINC000180680767 821393358 /nfs/dbraw/zinc/39/33/58/821393358.db2.gz HLEWVTBTWYKOLY-OAHLLOKOSA-N 1 0 387.430 4.007 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1)c1cnn(Cc2ccccc2)c1 ZINC000180688933 821395647 /nfs/dbraw/zinc/39/56/47/821395647.db2.gz KEMWVFZGVQCTOU-FOIQADDNSA-N 1 0 389.421 4.334 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1)c1ccc(N2CCCC2=O)cc1 ZINC000180689237 821396069 /nfs/dbraw/zinc/39/60/69/821396069.db2.gz HZIMAAGMCXBNLH-IFXJQAMLSA-N 1 0 392.421 4.216 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000043362431 821398159 /nfs/dbraw/zinc/39/81/59/821398159.db2.gz JOEGYAJNWQBRSI-CQSZACIVSA-N 1 0 399.825 4.493 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1ccc(OC(F)F)c(Cl)c1)c1ccsc1 ZINC000043362290 821398227 /nfs/dbraw/zinc/39/82/27/821398227.db2.gz OFTIASLZFJCUKU-CYBMUJFWSA-N 1 0 389.855 4.427 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)s1 ZINC000180693152 821398307 /nfs/dbraw/zinc/39/83/07/821398307.db2.gz SLXKVMNWCLCOQN-NHYWBVRUSA-N 1 0 388.455 4.043 20 0 GIADRO COc1cc2c(cc1OC)CN(C(=O)CCC[NH2+][C@H](C)c1cccc(C)c1)CC2 ZINC000180696748 821400164 /nfs/dbraw/zinc/40/01/64/821400164.db2.gz QBDVOONOBQZRFV-GOSISDBHSA-N 1 0 396.531 4.028 20 0 GIADRO CN(C)[C@H](CNC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)c1ccco1 ZINC000043391379 821401151 /nfs/dbraw/zinc/40/11/51/821401151.db2.gz YHJMYBDALXZRIZ-OAQYLSRUSA-N 1 0 398.551 4.469 20 0 GIADRO O[C@@]1(C[NH2+][C@@H](c2ccc(Br)cc2)c2ccccc2F)CCSC1 ZINC000180702208 821404383 /nfs/dbraw/zinc/40/43/83/821404383.db2.gz KZWKQJZGCJZHCS-ZWKOTPCHSA-N 1 0 396.325 4.135 20 0 GIADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)Nc1ccccc1N1CCCC1 ZINC000043485864 821414327 /nfs/dbraw/zinc/41/43/27/821414327.db2.gz DGUZUYJCZSJWNJ-IBGZPJMESA-N 1 0 384.549 4.307 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)N3CCc4sccc4[C@@H]3C)c(C)c2)CC1 ZINC000043522168 821421769 /nfs/dbraw/zinc/42/17/69/821421769.db2.gz YZMBRFUVKBLCFW-KRWDZBQOSA-N 1 0 398.576 4.350 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)N[C@@H](c3ccccc3)C3CC3)c(C)c2)CC1 ZINC000043522154 821421818 /nfs/dbraw/zinc/42/18/18/821421818.db2.gz IYDCRXPMDXGYIX-QHCPKHFHSA-N 1 0 392.547 4.410 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)N(Cc3ccccc3)C3CC3)c(C)c2)CC1 ZINC000043522361 821421935 /nfs/dbraw/zinc/42/19/35/821421935.db2.gz YGOYYCRYACXHGQ-UHFFFAOYSA-N 1 0 392.547 4.333 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)NCc3ccccc3Cl)c(C)c2)CC1 ZINC000043526586 821422590 /nfs/dbraw/zinc/42/25/90/821422590.db2.gz HXFUUXLJLOXYRF-UHFFFAOYSA-N 1 0 386.927 4.112 20 0 GIADRO COc1cc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)ccc1OCc1cccs1 ZINC000180734075 821423491 /nfs/dbraw/zinc/42/34/91/821423491.db2.gz BZZPYMVDIUADBT-QUCCMNQESA-N 1 0 386.561 4.252 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccsc1 ZINC000043548545 821425130 /nfs/dbraw/zinc/42/51/30/821425130.db2.gz WQODAXCWQJWYEC-MRXNPFEDSA-N 1 0 387.505 4.214 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@H](CC1CCC1)c1ccccc1 ZINC000180739274 821427044 /nfs/dbraw/zinc/42/70/44/821427044.db2.gz SGIIMLUBLSZSCH-JOCHJYFZSA-N 1 0 393.531 4.043 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)N(C)Cc2ccc(Cl)cc2)CC1 ZINC000043585102 821429722 /nfs/dbraw/zinc/42/97/22/821429722.db2.gz HLDRVNBJGWYZKH-UHFFFAOYSA-N 1 0 386.927 4.146 20 0 GIADRO COc1ccc([C@@H]([NH2+][C@H]2CCN(c3ncccc3F)C2)c2ccccc2)cc1 ZINC000180747801 821431557 /nfs/dbraw/zinc/43/15/57/821431557.db2.gz DSPNBHWGCREEAJ-UGKGYDQZSA-N 1 0 377.463 4.187 20 0 GIADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)Nc2nc(C(F)(F)F)cs2)CC1 ZINC000043633682 821433315 /nfs/dbraw/zinc/43/33/15/821433315.db2.gz XSKBXTXGRNXXGM-UHFFFAOYSA-N 1 0 398.454 4.210 20 0 GIADRO CN(Cc1ccc(F)cc1F)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000043636955 821434407 /nfs/dbraw/zinc/43/44/07/821434407.db2.gz BRMOXFCVTWNVGS-QGZVFWFLSA-N 1 0 379.476 4.005 20 0 GIADRO COc1ccc([C@@H](CNC(=O)N(Cc2ccccc2)C2CC2)[NH+]2CCCC2)cc1 ZINC000043644169 821435245 /nfs/dbraw/zinc/43/52/45/821435245.db2.gz VFWOLOQHRXAYNH-HSZRJFAPSA-N 1 0 393.531 4.206 20 0 GIADRO C[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1ccccc1OCc1ccccc1 ZINC000180764466 821441930 /nfs/dbraw/zinc/44/19/30/821441930.db2.gz IZLVTXSUOMQBGP-YJBOKZPZSA-N 1 0 392.421 4.079 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCN(c2ccccc2F)C1=O)c1cccc(-c2ccncc2)c1 ZINC000180771947 821446497 /nfs/dbraw/zinc/44/64/97/821446497.db2.gz YENBZBDIXNSAOK-IERDGZPVSA-N 1 0 375.447 4.344 20 0 GIADRO CC(C)n1ncc2cc(CN3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)c(Cl)nc21 ZINC000180781304 821453728 /nfs/dbraw/zinc/45/37/28/821453728.db2.gz XVVZIOSBPFGMJC-DNVCBOLYSA-N 1 0 387.959 4.114 20 0 GIADRO Cc1cccc([C@H]([NH2+]CC(=O)Nc2cccc(C(=O)N(C)C)c2)C(C)(C)C)c1 ZINC000180792810 821461479 /nfs/dbraw/zinc/46/14/79/821461479.db2.gz IFIOZEOXGQYXLG-NRFANRHFSA-N 1 0 381.520 4.012 20 0 GIADRO Cc1cccc([C@@H]([NH2+]CC(=O)Nc2cccc(C(=O)N(C)C)c2)C(C)(C)C)c1 ZINC000180792828 821461533 /nfs/dbraw/zinc/46/15/33/821461533.db2.gz IFIOZEOXGQYXLG-OAQYLSRUSA-N 1 0 381.520 4.012 20 0 GIADRO CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@@H](c2cccc(C)c2)C(C)(C)C)cc1 ZINC000180801059 821465956 /nfs/dbraw/zinc/46/59/56/821465956.db2.gz YNFIOSGIXTUQCO-IRLDBZIGSA-N 1 0 384.520 4.070 20 0 GIADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@@H](C)c1nc2ccccc2[nH]1 ZINC000043834687 821467644 /nfs/dbraw/zinc/46/76/44/821467644.db2.gz KSPITSMWESETFH-INIZCTEOSA-N 1 0 399.564 4.239 20 0 GIADRO C[C@@H]([NH2+]CCCOc1cccc2cccnc21)c1cccc(N2CCOC2=O)c1 ZINC000180804714 821468087 /nfs/dbraw/zinc/46/80/87/821468087.db2.gz QEQJRNJMEPRJTP-QGZVFWFLSA-N 1 0 391.471 4.311 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cn(C)nc2-c2ccccc2)CC1 ZINC000180815236 821475742 /nfs/dbraw/zinc/47/57/42/821475742.db2.gz LGQGHARAMOPSFW-GOSISDBHSA-N 1 0 388.515 4.043 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cn(C)nc2-c2ccccc2)CC1 ZINC000180815216 821475875 /nfs/dbraw/zinc/47/58/75/821475875.db2.gz LGQGHARAMOPSFW-SFHVURJKSA-N 1 0 388.515 4.043 20 0 GIADRO CC(C)OCc1cccc(NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000180819100 821478856 /nfs/dbraw/zinc/47/88/56/821478856.db2.gz IAZZGEIGDNRFNY-UHFFFAOYSA-N 1 0 382.508 4.045 20 0 GIADRO CC(C)CNC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(-n3cccn3)cc2)c1 ZINC000180820903 821480136 /nfs/dbraw/zinc/48/01/36/821480136.db2.gz DCDFBAATFKXPFF-SFHVURJKSA-N 1 0 376.504 4.109 20 0 GIADRO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2nc(-c3cc(Cl)ccc3Cl)cs2)C1 ZINC000180827218 821483838 /nfs/dbraw/zinc/48/38/38/821483838.db2.gz RQGDYQVIHHSTBL-CYBMUJFWSA-N 1 0 398.359 4.417 20 0 GIADRO COc1cc([C@@H](C)[NH2+]CCNC(=O)CC2CCCCC2)ccc1OC(F)F ZINC000180836635 821488130 /nfs/dbraw/zinc/48/81/30/821488130.db2.gz OLPFKKUOMWTUIP-CQSZACIVSA-N 1 0 384.467 4.034 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Nc1ccccc1OCC(F)(F)F)c1ccsc1 ZINC000043958841 821495214 /nfs/dbraw/zinc/49/52/14/821495214.db2.gz OZMWKAMVUROGJV-AWEZNQCLSA-N 1 0 387.427 4.114 20 0 GIADRO Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C[N@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000180853729 821496284 /nfs/dbraw/zinc/49/62/84/821496284.db2.gz PCYAZHHVDLUOLB-CHWSQXEVSA-N 1 0 387.833 4.056 20 0 GIADRO COc1cc(OC)c(NC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1Cl ZINC000180855243 821496836 /nfs/dbraw/zinc/49/68/36/821496836.db2.gz NGNCXNGAOIMNLI-UONOGXRCSA-N 1 0 395.931 4.132 20 0 GIADRO C[C@H]([NH2+]CC(=O)N[C@@H]1CCOc2ccccc21)c1ccc(-c2ccncc2)cc1 ZINC000180884928 821512456 /nfs/dbraw/zinc/51/24/56/821512456.db2.gz DXTNZLCZIHFOQJ-HTAPYJJXSA-N 1 0 387.483 4.039 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Cl)cn1)c1ccc(-c2ccncc2)cc1 ZINC000180886592 821514516 /nfs/dbraw/zinc/51/45/16/821514516.db2.gz RNHNHQVETKLKSN-CABCVRRESA-N 1 0 380.879 4.475 20 0 GIADRO C[NH+](C)C(C)(C)CNC(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1 ZINC000044066777 821515045 /nfs/dbraw/zinc/51/50/45/821515045.db2.gz ZXSHRICHLFQINW-UHFFFAOYSA-N 1 0 381.451 4.218 20 0 GIADRO COc1ccccc1OC[C@@H](C)C[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000180889808 821517048 /nfs/dbraw/zinc/51/70/48/821517048.db2.gz ZKIKKCXEIQRPMU-AOCRQIFASA-N 1 0 392.540 4.136 20 0 GIADRO C[C@H](C[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F)Oc1ccccc1 ZINC000180890929 821518022 /nfs/dbraw/zinc/51/80/22/821518022.db2.gz SLXKDOWGLGNJKY-LSDHHAIUSA-N 1 0 380.410 4.480 20 0 GIADRO CCOC(=O)CC[C@@H]1CCC[N@@H+]([C@@H](C)c2nc3sc(C)c(C)c3c(N)n2)C1 ZINC000180892779 821519396 /nfs/dbraw/zinc/51/93/96/821519396.db2.gz WSRVWTUTMIQATC-ZFWWWQNUSA-N 1 0 390.553 4.007 20 0 GIADRO COc1ccccc1CNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000180894966 821521147 /nfs/dbraw/zinc/52/11/47/821521147.db2.gz AHJJNCOAMPXIBU-MSOLQXFVSA-N 1 0 389.499 4.113 20 0 GIADRO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[N@H+](C)[C@H](C)c1cc2ccccc2o1 ZINC000044089970 821521229 /nfs/dbraw/zinc/52/12/29/821521229.db2.gz YMSPLQJKVZYPIX-BEFAXECRSA-N 1 0 397.471 4.077 20 0 GIADRO CC(C)(C)OC(=O)NC1CCC([NH2+]CCc2csc(C(C)(C)C)n2)CC1 ZINC000180897473 821522422 /nfs/dbraw/zinc/52/24/22/821522422.db2.gz HREOOXAVZUXVTM-UHFFFAOYSA-N 1 0 381.586 4.409 20 0 GIADRO C[NH+](C)Cc1cccc(C(=O)Nc2ccn(-c3cccc(C(F)(F)F)c3)n2)c1 ZINC000180907448 821528976 /nfs/dbraw/zinc/52/89/76/821528976.db2.gz NRXBHCHACNFGCK-UHFFFAOYSA-N 1 0 388.393 4.205 20 0 GIADRO COC(=O)COc1cccc(C[NH2+][C@H]2CCCOc3c(Cl)cc(C)cc32)c1 ZINC000180911486 821532315 /nfs/dbraw/zinc/53/23/15/821532315.db2.gz STGFLXMZNQZUSI-IBGZPJMESA-N 1 0 389.879 4.204 20 0 GIADRO CCCCC[C@@H](CC)C(=O)Nc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000180923996 821540298 /nfs/dbraw/zinc/54/02/98/821540298.db2.gz CRZGZHTYMOYLKG-QGZVFWFLSA-N 1 0 388.556 4.447 20 0 GIADRO Clc1ccc2c(c1Cl)OCCC[C@H]2[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000180933161 821545138 /nfs/dbraw/zinc/54/51/38/821545138.db2.gz HXSXLSOUQJKLJL-CZUORRHYSA-N 1 0 393.318 4.256 20 0 GIADRO CC[C@H]([NH2+]C1CCN(c2nccs2)CC1)[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000180937975 821547148 /nfs/dbraw/zinc/54/71/48/821547148.db2.gz HBYOFWQVUPPISR-IRXDYDNUSA-N 1 0 399.482 4.233 20 0 GIADRO COc1cc(OC)cc(OCCC[NH2+][C@H](c2ccccc2)c2ccccn2)c1 ZINC000180937145 821547191 /nfs/dbraw/zinc/54/71/91/821547191.db2.gz VCQVOVWIHWCKOR-HSZRJFAPSA-N 1 0 378.472 4.247 20 0 GIADRO CCc1cccc(CC)c1NC(=S)NCc1cccc(OCC[NH+](C)C)c1 ZINC000044222897 821550162 /nfs/dbraw/zinc/55/01/62/821550162.db2.gz MHLJTFFZAYFSIS-UHFFFAOYSA-N 1 0 385.577 4.238 20 0 GIADRO Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000180958210 821556758 /nfs/dbraw/zinc/55/67/58/821556758.db2.gz GHOBZRYLORHTAD-LBPRGKRZSA-N 1 0 382.291 4.028 20 0 GIADRO CCc1nc2ccccc2n1C1CC[NH+](CC(=O)N[C@H](C)c2cccs2)CC1 ZINC000180964555 821559799 /nfs/dbraw/zinc/55/97/99/821559799.db2.gz BBPIGWDBHBKVLP-MRXNPFEDSA-N 1 0 396.560 4.175 20 0 GIADRO CCC[C@@H]([NH2+]C1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccccc1 ZINC000180965666 821560373 /nfs/dbraw/zinc/56/03/73/821560373.db2.gz OPUUPYVMWKOUNH-JOCHJYFZSA-N 1 0 386.561 4.112 20 0 GIADRO CC(C)(C)OC(=O)Nc1ccc(CC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000044294975 821561160 /nfs/dbraw/zinc/56/11/60/821561160.db2.gz IJRDBSFEAQWULY-UHFFFAOYSA-N 1 0 389.540 4.002 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)c1cc(F)ccc1F)c1ccc(OCC(F)(F)F)cc1 ZINC000180970084 821563933 /nfs/dbraw/zinc/56/39/33/821563933.db2.gz ZVRLSEIFAJBFLX-APPDUMDISA-N 1 0 375.337 4.290 20 0 GIADRO COc1ccc([C@H](CNC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)[NH+]2CCCC2)cc1 ZINC000044308844 821565448 /nfs/dbraw/zinc/56/54/48/821565448.db2.gz JAQRXVPZWOAVQX-LNLFQRSKSA-N 1 0 398.469 4.317 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccccc2OC2CCC2)cc1 ZINC000180972811 821565523 /nfs/dbraw/zinc/56/55/23/821565523.db2.gz SNZKDZVOIGDZIS-INIZCTEOSA-N 1 0 388.533 4.230 20 0 GIADRO Cc1nc(CC(C)C)c(NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000180974588 821566731 /nfs/dbraw/zinc/56/67/31/821566731.db2.gz UBBDKNCNPHHUAP-UHFFFAOYSA-N 1 0 387.553 4.083 20 0 GIADRO CCCOc1cccc(C(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2C)c1 ZINC000044313538 821568246 /nfs/dbraw/zinc/56/82/46/821568246.db2.gz CUDMOSPPQAMBEA-UHFFFAOYSA-N 1 0 381.520 4.178 20 0 GIADRO OC[C@H]1CCC[N@@H+]1Cc1ccccc1CNCc1ccc(-c2ccccc2)o1 ZINC000180985032 821574890 /nfs/dbraw/zinc/57/48/90/821574890.db2.gz STFNICSUKMPJFD-JOCHJYFZSA-N 1 0 376.500 4.193 20 0 GIADRO CCn1c2ccccc2nc1[C@@H](C)[NH2+][C@H](C)CC(=O)Nc1cccnc1Cl ZINC000180991878 821579576 /nfs/dbraw/zinc/57/95/76/821579576.db2.gz DHKVPNFAERTIAR-ZIAGYGMSSA-N 1 0 385.899 4.173 20 0 GIADRO CCn1c2ccccc2nc1[C@@H](C)[NH2+][C@@H](C)CC(=O)Nc1ccccc1OC ZINC000180993054 821580554 /nfs/dbraw/zinc/58/05/54/821580554.db2.gz XZEILJXYKVWDTD-JKSUJKDBSA-N 1 0 380.492 4.133 20 0 GIADRO COc1cc(OC)c([C@H](C)[NH2+]CCc2nc3cc(F)ccc3n2C)cc1Cl ZINC000181001743 821586200 /nfs/dbraw/zinc/58/62/00/821586200.db2.gz BANKTEGLNHWZKG-LBPRGKRZSA-N 1 0 391.874 4.276 20 0 GIADRO O=C(N[C@@H]1CCCOc2cc(Cl)ccc21)N1CCC(C[NH+]2CCCC2)CC1 ZINC000181022001 821597803 /nfs/dbraw/zinc/59/78/03/821597803.db2.gz KESSKAVALPHQGZ-LJQANCHMSA-N 1 0 391.943 4.071 20 0 GIADRO C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000181054125 821612206 /nfs/dbraw/zinc/61/22/06/821612206.db2.gz BIEFQBMANYVRJB-CQSZACIVSA-N 1 0 385.474 4.199 20 0 GIADRO Cc1ccc(O)c(C[NH2+][C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)c1 ZINC000181059324 821614303 /nfs/dbraw/zinc/61/43/03/821614303.db2.gz PAHYGAGCXBAKGK-SFHVURJKSA-N 1 0 392.421 4.000 20 0 GIADRO C[C@H](c1nc2ccccc2o1)[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000181064283 821615660 /nfs/dbraw/zinc/61/56/60/821615660.db2.gz YMDOVORFWXWNEO-CQSZACIVSA-N 1 0 375.432 4.213 20 0 GIADRO CCCN1c2ccc(NC(=O)c3cccc(C[NH+]4CCCC4)c3)cc2CCC1=O ZINC000181095004 821629914 /nfs/dbraw/zinc/62/99/14/821629914.db2.gz NCDZDUZROGCYNP-UHFFFAOYSA-N 1 0 391.515 4.224 20 0 GIADRO CC[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccc(OC)cc1OC)c1cc(F)ccc1F ZINC000181102514 821633610 /nfs/dbraw/zinc/63/36/10/821633610.db2.gz WVFFPYWRINPDJX-SCLBCKFNSA-N 1 0 392.446 4.440 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+]C[C@H](O)c2c(Cl)cccc2Cl)s1 ZINC000181108214 821637978 /nfs/dbraw/zinc/63/79/78/821637978.db2.gz QQUXXTNWEIQZAW-HZMBPMFUSA-N 1 0 389.348 4.331 20 0 GIADRO Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+]CCCOC1CCOCC1 ZINC000181130593 821651500 /nfs/dbraw/zinc/65/15/00/821651500.db2.gz VMQVBAHXIABSDA-AWEZNQCLSA-N 1 0 378.513 4.494 20 0 GIADRO CC(=O)Nc1ccc(C(=O)NCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000044755993 821654337 /nfs/dbraw/zinc/65/43/37/821654337.db2.gz DTPZEHATOGYGQF-ROUUACIJSA-N 1 0 393.531 4.053 20 0 GIADRO O=C(NC1CC[NH+](C2CC2)CC1)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000044775929 821660026 /nfs/dbraw/zinc/66/00/26/821660026.db2.gz UPUDYYXAWQRZDS-QZTJIDSGSA-N 1 0 381.545 4.089 20 0 GIADRO N#Cc1ccc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c(Br)c1 ZINC000181146974 821662612 /nfs/dbraw/zinc/66/26/12/821662612.db2.gz DEUJUBAPBMABRJ-WBVHZDCISA-N 1 0 375.266 4.002 20 0 GIADRO C[NH+]1CCN(c2ccc(NC(=O)CCc3ccccc3)c(C(F)(F)F)c2)CC1 ZINC000044796582 821663853 /nfs/dbraw/zinc/66/38/53/821663853.db2.gz SWPMQGQQCDJWIT-UHFFFAOYSA-N 1 0 391.437 4.029 20 0 GIADRO Cc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C(F)(F)F)cc1 ZINC000044796593 821663860 /nfs/dbraw/zinc/66/38/60/821663860.db2.gz HCRQAEKPTKOMRT-UHFFFAOYSA-N 1 0 377.410 4.018 20 0 GIADRO Cc1c(O)ccc2c(C[NH2+][C@H](C)c3ccc(OC(F)F)cc3)cc(=O)oc12 ZINC000044802861 821665167 /nfs/dbraw/zinc/66/51/67/821665167.db2.gz HZMBVNKGGKRSIH-GFCCVEGCSA-N 1 0 375.371 4.259 20 0 GIADRO COc1cccc([C@@H](CNC(=O)CCc2ccc(Cl)s2)[NH+]2CCCC2)c1 ZINC000044839382 821670888 /nfs/dbraw/zinc/67/08/88/821670888.db2.gz JHCAOPNZUBMNPI-GOSISDBHSA-N 1 0 392.952 4.296 20 0 GIADRO COc1ccc([C@H](CNC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)[NH+]2CCCC2)cc1 ZINC000044866515 821674363 /nfs/dbraw/zinc/67/43/63/821674363.db2.gz OVGPBVLRBJYOOQ-QYZOEREBSA-N 1 0 398.469 4.317 20 0 GIADRO COCCC[C@H](C)[NH2+][C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C ZINC000181166979 821675260 /nfs/dbraw/zinc/67/52/60/821675260.db2.gz WLGUURPBZFHVSN-AVRDEDQJSA-N 1 0 389.561 4.201 20 0 GIADRO C[C@H](C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1)Oc1ccccc1Cl ZINC000181182273 821682181 /nfs/dbraw/zinc/68/21/81/821682181.db2.gz OJZNBMJSZGMBAH-OLZOCXBDSA-N 1 0 385.888 4.001 20 0 GIADRO Cc1cc2ncc([C@@H](C)[NH2+]C3CCN(Cc4ccc(Cl)cc4)CC3)c(C)n2n1 ZINC000181190967 821686965 /nfs/dbraw/zinc/68/69/65/821686965.db2.gz WECRYPBVWLWOSX-MRXNPFEDSA-N 1 0 397.954 4.315 20 0 GIADRO CC[C@H](C)[C@H](C)[NH2+][C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000181193414 821688274 /nfs/dbraw/zinc/68/82/74/821688274.db2.gz ZIBRELJGLSZVQD-YRVVQQKDSA-N 1 0 381.488 4.482 20 0 GIADRO CC(C)C[C@@H](C)[NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000181194530 821689803 /nfs/dbraw/zinc/68/98/03/821689803.db2.gz UFXXXTRXQQKPSN-JLTOFOAXSA-N 1 0 381.488 4.482 20 0 GIADRO COc1ccc([C@H](C)[NH2+]C[C@H](OC)c2ccc(F)cc2)cc1Cn1cccn1 ZINC000181201239 821693358 /nfs/dbraw/zinc/69/33/58/821693358.db2.gz DGARENBFYGAQGK-AOMKIAJQSA-N 1 0 383.467 4.117 20 0 GIADRO Cc1c(O)ccc2c(C[NH2+][C@H](C[C@@H]3CCOC3)c3ccccc3)cc(=O)oc12 ZINC000181209233 821698410 /nfs/dbraw/zinc/69/84/10/821698410.db2.gz APVNNBKITQBEHC-OXJNMPFZSA-N 1 0 379.456 4.065 20 0 GIADRO COC(=O)c1oc([C@@H](C)[NH+]2CCC(OCc3ccccc3OC)CC2)cc1C ZINC000181210706 821699173 /nfs/dbraw/zinc/69/91/73/821699173.db2.gz CBWRGIPRDPTOEM-MRXNPFEDSA-N 1 0 387.476 4.125 20 0 GIADRO CN(Cc1ccc(Cl)s1)C(=O)C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000181232509 821709756 /nfs/dbraw/zinc/70/97/56/821709756.db2.gz MWDHNCYZUMRXNT-MAUKXSAKSA-N 1 0 392.952 4.117 20 0 GIADRO CC(C)[C@H]1OCCC[C@@H]1C[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000181237895 821713154 /nfs/dbraw/zinc/71/31/54/821713154.db2.gz IUVNPOLKECZOGA-QMTMVMCOSA-N 1 0 386.458 4.463 20 0 GIADRO CC[C@@H](C[NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(F)c1)Oc1ccccc1C ZINC000181241587 821714908 /nfs/dbraw/zinc/71/49/08/821714908.db2.gz BZPDOJSNRKXYLH-WBVHZDCISA-N 1 0 379.497 4.046 20 0 GIADRO CC[C@@H](C[NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(F)c1)Oc1cccc(C)c1 ZINC000181240635 821715065 /nfs/dbraw/zinc/71/50/65/821715065.db2.gz FZRIGUUQKWFMSA-WBVHZDCISA-N 1 0 379.497 4.046 20 0 GIADRO C[C@@H]([NH2+]CCc1cccc(OC(F)(F)F)c1)c1ccc(N2CCOC2=O)cc1 ZINC000181271611 821727031 /nfs/dbraw/zinc/72/70/31/821727031.db2.gz LHDRLDNOFPJGOJ-CQSZACIVSA-N 1 0 394.393 4.435 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1ccc(C(C)(C)C)cc1)c1ccc(N2CCOC2=O)cc1 ZINC000181280067 821732474 /nfs/dbraw/zinc/73/24/74/821732474.db2.gz VWHSSUGCTRNTBB-INIZCTEOSA-N 1 0 395.503 4.230 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc(-c2cccnc2)cc1)C(=O)NCCc1cccs1 ZINC000181294476 821739858 /nfs/dbraw/zinc/73/98/58/821739858.db2.gz ATQDHSDMEQLXIN-IAGOWNOFSA-N 1 0 379.529 4.208 20 0 GIADRO Cc1noc(C)c1[C@@H](C)CC(=O)O[C@H]1CC[N@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000181295533 821740593 /nfs/dbraw/zinc/74/05/93/821740593.db2.gz HBQVDJAXAXLLOD-BTYIYWSLSA-N 1 0 382.504 4.091 20 0 GIADRO Cc1noc(C)c1[C@@H](C)CC(=O)O[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000181295490 821740706 /nfs/dbraw/zinc/74/07/06/821740706.db2.gz HBQVDJAXAXLLOD-YCRPNKLZSA-N 1 0 382.504 4.091 20 0 GIADRO COc1ccc(CN(C)C(=O)C[NH2+][C@H](C)c2ccc(-c3cccnc3)cc2)cc1 ZINC000181294791 821740726 /nfs/dbraw/zinc/74/07/26/821740726.db2.gz UNYZSGFTXORYLT-GOSISDBHSA-N 1 0 389.499 4.066 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000181299561 821742482 /nfs/dbraw/zinc/74/24/82/821742482.db2.gz ZBPUROPJRWKJBV-GUEPYNSDSA-N 1 0 387.471 4.211 20 0 GIADRO CCOc1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000181308125 821747044 /nfs/dbraw/zinc/74/70/44/821747044.db2.gz HKPIFIAFYFDFFQ-KRWDZBQOSA-N 1 0 375.472 4.437 20 0 GIADRO Cc1sc(CC[NH2+]C2CCN(c3nccs3)CC2)nc1-c1ccccc1 ZINC000181307517 821747133 /nfs/dbraw/zinc/74/71/33/821747133.db2.gz YYROZMAWUBPKHT-UHFFFAOYSA-N 1 0 384.574 4.376 20 0 GIADRO CC[NH+](CC)CCSc1nnc(-c2cccc(OC)c2)n1Cc1ccco1 ZINC000181309855 821748901 /nfs/dbraw/zinc/74/89/01/821748901.db2.gz HHUHLOBQJQALMA-UHFFFAOYSA-N 1 0 386.521 4.029 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N1CCC[C@H](C(F)(F)F)C1)c1ccc(-c2cccnc2)cc1 ZINC000181311569 821749801 /nfs/dbraw/zinc/74/98/01/821749801.db2.gz HZMZJWGHIBBWLI-BEFAXECRSA-N 1 0 391.437 4.200 20 0 GIADRO Cc1nc(Br)ccc1NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000181312788 821751332 /nfs/dbraw/zinc/75/13/32/821751332.db2.gz GFOUIZQDCUVWEJ-UHFFFAOYSA-N 1 0 395.345 4.071 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000181316435 821754916 /nfs/dbraw/zinc/75/49/16/821754916.db2.gz NVAOGMUUPDTQTD-OLZOCXBDSA-N 1 0 392.429 4.055 20 0 GIADRO Cc1cc(C)c(-c2csc(NC(=O)C[NH2+][C@@H](C)c3cccnc3)n2)cc1C ZINC000181321648 821757578 /nfs/dbraw/zinc/75/75/78/821757578.db2.gz GLYJGJHAZSZQSY-INIZCTEOSA-N 1 0 380.517 4.420 20 0 GIADRO COc1cccc2[nH]cc(CC[NH2+][C@H](C)c3ccc(OC)c(NC(C)=O)c3)c21 ZINC000181335623 821767028 /nfs/dbraw/zinc/76/70/28/821767028.db2.gz PDTADJZIFRDKBM-CQSZACIVSA-N 1 0 381.476 4.037 20 0 GIADRO C[C@H]([NH2+]CCOc1ncc(Cl)cc1Cl)c1ccc(N2CCOC2=O)cc1 ZINC000181340565 821771735 /nfs/dbraw/zinc/77/17/35/821771735.db2.gz UYXFKIRBISYZJI-LBPRGKRZSA-N 1 0 396.274 4.075 20 0 GIADRO CC(C)c1ccccc1NC(=O)C[NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000181352066 821781217 /nfs/dbraw/zinc/78/12/17/821781217.db2.gz BJCGEFMUSFFQLE-QGZVFWFLSA-N 1 0 379.504 4.226 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1)c1ccccc1 ZINC000181364202 821788837 /nfs/dbraw/zinc/78/88/37/821788837.db2.gz SRLGMBZRQOIJRY-HNNXBMFYSA-N 1 0 379.485 4.290 20 0 GIADRO COc1ccccc1[C@@H]([NH2+]C1CCN(C(=O)OCC(C)C)CC1)c1ccco1 ZINC000181363548 821789045 /nfs/dbraw/zinc/78/90/45/821789045.db2.gz JPZAPSZKDQQGLA-OAQYLSRUSA-N 1 0 386.492 4.224 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+]C[C@H](c2ccccc2Cl)N(C)C)s1 ZINC000181369118 821791544 /nfs/dbraw/zinc/79/15/44/821791544.db2.gz RRFDMEYRJQKQKV-CXAGYDPISA-N 1 0 381.973 4.247 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+]C[C@H](c2ccccc2Cl)N(C)C)s1 ZINC000181369135 821791699 /nfs/dbraw/zinc/79/16/99/821791699.db2.gz RRFDMEYRJQKQKV-SUMWQHHRSA-N 1 0 381.973 4.247 20 0 GIADRO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)c(Cl)c1 ZINC000181371185 821792840 /nfs/dbraw/zinc/79/28/40/821792840.db2.gz RNNKQDWERHOIDH-CVEARBPZSA-N 1 0 399.922 4.453 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+]Cc2c(C)nn(-c3ccccc3)c2C)s1 ZINC000181371398 821792923 /nfs/dbraw/zinc/79/29/23/821792923.db2.gz CXNHLIUFJFVBIN-HNNXBMFYSA-N 1 0 384.549 4.294 20 0 GIADRO COc1ccc(C[NH2+][C@H](C)c2ccc(OC)c(Cn3cccn3)c2)cc1Cl ZINC000181382631 821797652 /nfs/dbraw/zinc/79/76/52/821797652.db2.gz VAWFXJLGKPMRJN-OAHLLOKOSA-N 1 0 385.895 4.453 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+]C2CCN(Cc3ccccc3C)CC2)s1 ZINC000181383549 821798245 /nfs/dbraw/zinc/79/82/45/821798245.db2.gz OHEZOQOQVUFMOH-QGZVFWFLSA-N 1 0 387.593 4.264 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+]Cc2ccc(N3CCCCC3=O)cc2)s1 ZINC000181388576 821800373 /nfs/dbraw/zinc/80/03/73/821800373.db2.gz GHICSMBUZJQHBJ-OAHLLOKOSA-N 1 0 387.549 4.008 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+]Cc2ccc(-n3ccnc3C)c(F)c2)s1 ZINC000181390986 821801378 /nfs/dbraw/zinc/80/13/78/821801378.db2.gz HDSOJBRAXNKPOG-CYBMUJFWSA-N 1 0 388.512 4.124 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+]CCc2ccc(Br)s2)s1 ZINC000181391241 821802238 /nfs/dbraw/zinc/80/22/38/821802238.db2.gz ZLPIOGXULMBCOD-SNVBAGLBSA-N 1 0 389.384 4.358 20 0 GIADRO Cc1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)c1C ZINC000181392810 821803231 /nfs/dbraw/zinc/80/32/31/821803231.db2.gz BAQTXPITXNIMPY-ROUUACIJSA-N 1 0 379.504 4.108 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)s1 ZINC000181393667 821803697 /nfs/dbraw/zinc/80/36/97/821803697.db2.gz UNIVQFJMOKCLIJ-KBPBESRZSA-N 1 0 389.521 4.009 20 0 GIADRO C[C@@H]([NH2+][C@H](CO)c1cccc(Br)c1)c1cnc2ccsc2c1 ZINC000181393856 821804388 /nfs/dbraw/zinc/80/43/88/821804388.db2.gz GVHVPCXEPNLZPH-BDJLRTHQSA-N 1 0 377.307 4.443 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+]CCCc2cn(-c3ccccc3)nc2C)s1 ZINC000181396340 821805810 /nfs/dbraw/zinc/80/58/10/821805810.db2.gz GSOHXGFEBHMCQW-KRWDZBQOSA-N 1 0 398.576 4.418 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+]CCCC(=O)Nc2ccc(Cl)cc2)s1 ZINC000181397899 821806545 /nfs/dbraw/zinc/80/65/45/821806545.db2.gz JKTMZVGGDMZMBY-ZDUSSCGKSA-N 1 0 395.956 4.363 20 0 GIADRO O=C(Nc1ccc(OCc2ccccc2)cc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000181399768 821806736 /nfs/dbraw/zinc/80/67/36/821806736.db2.gz NUKFSGUNRRZYOS-FQEVSTJZSA-N 1 0 379.504 4.215 20 0 GIADRO O[C@@H](C[C@H]1CCCCC[N@@H+]1Cc1nnc(C2CC2)n1C1CC1)c1ccccc1 ZINC000181421561 821817810 /nfs/dbraw/zinc/81/78/10/821817810.db2.gz LPKPEOAVXYPOOK-RTWAWAEBSA-N 1 0 380.536 4.359 20 0 GIADRO COc1ccc(C[C@H]([NH2+][C@H](C)Cc2cc(C)n[nH]2)c2ccc(OC)cc2)cc1 ZINC000181424797 821820212 /nfs/dbraw/zinc/82/02/12/821820212.db2.gz MBHUVXXVNCOVMZ-MWTRTKDXSA-N 1 0 379.504 4.240 20 0 GIADRO C[C@@H](NC(=O)CCC(=O)c1ccc(Cl)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181429339 821822230 /nfs/dbraw/zinc/82/22/30/821822230.db2.gz JNFFREBOEMPRFU-NVXWUHKLSA-N 1 0 376.928 4.072 20 0 GIADRO Brc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@H]1CCO[C@]2(CCSC2)C1 ZINC000181448801 821830738 /nfs/dbraw/zinc/83/07/38/821830738.db2.gz RSVPRZNRVLBUKW-QILLFSRXSA-N 1 0 398.366 4.307 20 0 GIADRO Cc1cccc(C)c1NC(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000181457655 821834878 /nfs/dbraw/zinc/83/48/78/821834878.db2.gz SFMHLSZDEVADDL-UHFFFAOYSA-N 1 0 381.520 4.142 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(Br)cc1N1CCOCC1)c1ccccc1 ZINC000181458532 821835288 /nfs/dbraw/zinc/83/52/88/821835288.db2.gz LGXNPIKCGGYRAN-OAHLLOKOSA-N 1 0 375.310 4.137 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(Br)cc1N1CCOCC1)c1ccccc1F ZINC000181459219 821835449 /nfs/dbraw/zinc/83/54/49/821835449.db2.gz WVTXRJAIWLCBPD-AWEZNQCLSA-N 1 0 393.300 4.276 20 0 GIADRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(Br)cc2N2CCOCC2)cc1 ZINC000181458340 821835585 /nfs/dbraw/zinc/83/55/85/821835585.db2.gz DVHJYEDHIVEQKM-INIZCTEOSA-N 1 0 389.337 4.445 20 0 GIADRO CC[C@@H]([NH2+]Cc1cccnc1-n1ccnc1)c1cc(F)cc(Br)c1 ZINC000181475318 821842820 /nfs/dbraw/zinc/84/28/20/821842820.db2.gz USNJIUSSZMMLEF-QGZVFWFLSA-N 1 0 389.272 4.410 20 0 GIADRO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]Cc1ccn(C2CCCC2)n1 ZINC000181476928 821843366 /nfs/dbraw/zinc/84/33/66/821843366.db2.gz ZSTHJYIURYZYGE-MRXNPFEDSA-N 1 0 388.943 4.178 20 0 GIADRO Cc1ccc2c(c1)[C@H](NC(=O)NC1CC[NH+]([C@@H](C)c3ccncc3)CC1)[C@@H](C)C2 ZINC000181479455 821844393 /nfs/dbraw/zinc/84/43/93/821844393.db2.gz FYINVUVPCKTLBW-IUKKYPGJSA-N 1 0 392.547 4.148 20 0 GIADRO COc1cc2c(cc1NC(=O)C[N@H+](C)C[C@H]1CCCC[C@@H]1O)oc1ccccc12 ZINC000181482922 821846237 /nfs/dbraw/zinc/84/62/37/821846237.db2.gz FNZMSQDIFSOYRT-BEFAXECRSA-N 1 0 396.487 4.016 20 0 GIADRO Cc1cc(Br)ccc1C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181493391 821851448 /nfs/dbraw/zinc/85/14/48/821851448.db2.gz BGJIWRLUVCPQOT-GJZGRUSLSA-N 1 0 379.342 4.140 20 0 GIADRO CCCCO[C@@H]1C[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3F)CC2)C1(C)C ZINC000181497103 821854213 /nfs/dbraw/zinc/85/42/13/821854213.db2.gz MXIRZDGXTHGBHS-WOJBJXKFSA-N 1 0 376.516 4.004 20 0 GIADRO C[C@H]([NH2+]Cc1cccnc1-n1cncn1)c1cc2cc(Br)ccc2o1 ZINC000181504299 821857232 /nfs/dbraw/zinc/85/72/32/821857232.db2.gz UFWMDIFQFUZAHA-LBPRGKRZSA-N 1 0 398.264 4.022 20 0 GIADRO C[C@H](NC(=O)CCc1ccc(Br)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181521725 821865230 /nfs/dbraw/zinc/86/52/30/821865230.db2.gz SGXGIRHGDMJHQW-RDJZCZTQSA-N 1 0 393.369 4.151 20 0 GIADRO COc1ccc(-c2csc(NC(=O)[C@@H](C)[NH2+][C@H](C)c3cccc(O)c3)n2)cc1 ZINC000181522301 821865454 /nfs/dbraw/zinc/86/54/54/821865454.db2.gz KUJJWOFVQGRKNO-ZIAGYGMSSA-N 1 0 397.500 4.202 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+][C@H](C)Cc2cc(C)nn2-c2ccccc2)s1 ZINC000181531726 821869868 /nfs/dbraw/zinc/86/98/68/821869868.db2.gz GJYMOYUGOYOASW-WBVHZDCISA-N 1 0 398.576 4.416 20 0 GIADRO Cc1cc(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c2c(n1)onc2C(C)C ZINC000181545321 821875341 /nfs/dbraw/zinc/87/53/41/821875341.db2.gz YMFIVXCPUQUSRY-HZPDHXFCSA-N 1 0 384.524 4.037 20 0 GIADRO COc1ccccc1COC1CC[NH+](Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000181551277 821878228 /nfs/dbraw/zinc/87/82/28/821878228.db2.gz VHEQJILBECRAKI-UHFFFAOYSA-N 1 0 395.478 4.406 20 0 GIADRO C[C@@H]([NH2+]C[C@H](c1ccccc1)C(C)(C)CO)c1ccc(N2CCOC2=O)cc1 ZINC000181554069 821879157 /nfs/dbraw/zinc/87/91/57/821879157.db2.gz PTSAYJNOLRDGMO-DYESRHJHSA-N 1 0 382.504 4.096 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1cccc(CSc2ccccn2)c1)c1cccc(O)c1 ZINC000181572415 821884452 /nfs/dbraw/zinc/88/44/52/821884452.db2.gz LVONJCDUKRLMSY-INIZCTEOSA-N 1 0 393.512 4.369 20 0 GIADRO CC(=O)c1cccc(NC(=O)C[NH2+][C@@H](C)c2ccc(OCC3CC3)c(F)c2)c1 ZINC000181579908 821887859 /nfs/dbraw/zinc/88/78/59/821887859.db2.gz FALWWIMUGFBIMM-AWEZNQCLSA-N 1 0 384.451 4.106 20 0 GIADRO CC(=O)c1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(OCC3CC3)c(F)c2)cc1 ZINC000181589428 821892278 /nfs/dbraw/zinc/89/22/78/821892278.db2.gz LTQGQQAKTGGYFO-CQSZACIVSA-N 1 0 384.451 4.106 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3ccnc3)cc2)c(Br)c1 ZINC000181591264 821893196 /nfs/dbraw/zinc/89/31/96/821893196.db2.gz WUOSMEBYRUSNMF-CQSZACIVSA-N 1 0 386.293 4.494 20 0 GIADRO COc1ccc(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1Cc1ccccc1 ZINC000181593430 821894368 /nfs/dbraw/zinc/89/43/68/821894368.db2.gz GAFZSAFWQFGROS-FQEVSTJZSA-N 1 0 393.531 4.236 20 0 GIADRO O[C@H](C[NH2+][C@H](Cc1cccc(F)c1)c1cccc(F)c1)COCc1ccco1 ZINC000181594200 821895044 /nfs/dbraw/zinc/89/50/44/821895044.db2.gz ITOOWGBHOGYALE-IFMALSPDSA-N 1 0 387.426 4.009 20 0 GIADRO COCCCOc1cccc(C[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)c1 ZINC000181601112 821897243 /nfs/dbraw/zinc/89/72/43/821897243.db2.gz JCCTWEDTWXJVEZ-SFHVURJKSA-N 1 0 382.504 4.080 20 0 GIADRO COCCCOc1cccc(C[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)c1 ZINC000181601657 821897823 /nfs/dbraw/zinc/89/78/23/821897823.db2.gz MRAXFITYUHWCJT-UHFFFAOYSA-N 1 0 394.515 4.024 20 0 GIADRO CC1(C)[C@H]([NH2+]Cc2cccc(Cn3cnc4ccccc43)c2)[C@H]2CCCO[C@@H]21 ZINC000181619256 821906434 /nfs/dbraw/zinc/90/64/34/821906434.db2.gz TWHRLYIWSHQUED-PTUXOGIPSA-N 1 0 375.516 4.378 20 0 GIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NCc2nc3ccccc3s2)CC1 ZINC000181627340 821911235 /nfs/dbraw/zinc/91/12/35/821911235.db2.gz PUHGNDPDXNJFCA-INIZCTEOSA-N 1 0 398.551 4.428 20 0 GIADRO C[C@H](NC(=O)Cc1coc2cc3c(cc12)CCC3)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181628286 821911664 /nfs/dbraw/zinc/91/16/64/821911664.db2.gz AHYPKYJNZOELCR-LPHOPBHVSA-N 1 0 380.532 4.233 20 0 GIADRO Cc1noc(C)c1[C@H](C)C[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000181629325 821912320 /nfs/dbraw/zinc/91/23/20/821912320.db2.gz DACMZBRVIUWODL-MNOVXSKESA-N 1 0 384.261 4.350 20 0 GIADRO Cc1ccc([C@H](OC[C@H](O)C[NH2+][C@@H](C)c2cccnc2)c2ccccc2)cc1 ZINC000181633377 821914393 /nfs/dbraw/zinc/91/43/93/821914393.db2.gz PPZFGVSAVIMPER-WUMKDDEVSA-N 1 0 376.500 4.208 20 0 GIADRO C[C@@H](NC(=O)c1ncoc1-c1ccccc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181638320 821917094 /nfs/dbraw/zinc/91/70/94/821917094.db2.gz YBAFXNYILNXQDN-HUUCEWRRSA-N 1 0 387.911 4.378 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CC2([C@H](O)c3ccccc3)CC2)cc1Cn1cccn1 ZINC000181644854 821920427 /nfs/dbraw/zinc/92/04/27/821920427.db2.gz SPWFTSZOVMQLQO-FDDCHVKYSA-N 1 0 391.515 4.104 20 0 GIADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]C2CCC(OC(C)C)CC2)cc1 ZINC000181648443 821921711 /nfs/dbraw/zinc/92/17/11/821921711.db2.gz BJHXURYUKFBQMM-KKXNLOMOSA-N 1 0 396.597 4.104 20 0 GIADRO Cc1c(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cccc1-c1ccccn1 ZINC000181664027 821931360 /nfs/dbraw/zinc/93/13/60/821931360.db2.gz UDQPHAGUARVMKM-OALUTQOASA-N 1 0 377.532 4.440 20 0 GIADRO CC(C)(C)C(=O)N1CCC(C[N@@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)CC1 ZINC000181665322 821931817 /nfs/dbraw/zinc/93/18/17/821931817.db2.gz SNLKQFMTHLTCDD-OAQYLSRUSA-N 1 0 390.543 4.091 20 0 GIADRO COc1cc([C@H](C)[NH2+]C[C@@]2(O)CCc3ccccc32)ccc1SC(F)F ZINC000181671789 821936351 /nfs/dbraw/zinc/93/63/51/821936351.db2.gz GMDOROMDMJHORF-RBZFPXEDSA-N 1 0 379.472 4.495 20 0 GIADRO C[C@@H](NC(=O)COc1ccc(Cl)c(Cl)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181680510 821940482 /nfs/dbraw/zinc/94/04/82/821940482.db2.gz DNAGSRRYSQJOHG-KGLIPLIRSA-N 1 0 385.335 4.141 20 0 GIADRO COC(=O)c1ccc(C[NH2+][C@H](C)c2cccc(-c3ccncc3)c2)cc1OC ZINC000181686935 821944485 /nfs/dbraw/zinc/94/44/85/821944485.db2.gz IMUGSLWRNFXRST-MRXNPFEDSA-N 1 0 376.456 4.395 20 0 GIADRO CCOc1cc(C[NH2+][C@H](CC)c2ccc(C)cc2)nc2nc(C(F)(F)F)nn21 ZINC000181710651 821954237 /nfs/dbraw/zinc/95/42/37/821954237.db2.gz GBLOFHWMWPUHEC-OAHLLOKOSA-N 1 0 393.413 4.091 20 0 GIADRO COCCC[C@H]([NH2+]Cc1cccc(N(C)C)n1)c1ccc(Br)cc1 ZINC000181732941 821966898 /nfs/dbraw/zinc/96/68/98/821966898.db2.gz SDMBIPQJKJLGMS-SFHVURJKSA-N 1 0 392.341 4.168 20 0 GIADRO CCO[C@@H]1C[C@@H]([NH2+]CC2CCN(Cc3nc(C)c(C)o3)CC2)C1(CC)CC ZINC000181740333 821971371 /nfs/dbraw/zinc/97/13/71/821971371.db2.gz LIKDRLCIJXJHGR-WOJBJXKFSA-N 1 0 377.573 4.077 20 0 GIADRO CCO[C@H]1C[C@@H]([NH2+]CC2CCN(Cc3nc(C)c(C)o3)CC2)C1(CC)CC ZINC000181740297 821971460 /nfs/dbraw/zinc/97/14/60/821971460.db2.gz LIKDRLCIJXJHGR-UXHICEINSA-N 1 0 377.573 4.077 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(NC(N)=O)cc2)c(Br)c1 ZINC000181746685 821973839 /nfs/dbraw/zinc/97/38/39/821973839.db2.gz JXHMMPJCVBONLF-RYUDHWBXSA-N 1 0 392.297 4.360 20 0 GIADRO COc1cccc(Oc2ccc(NC(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)cc2)c1 ZINC000181749266 821975081 /nfs/dbraw/zinc/97/50/81/821975081.db2.gz ALPACYAMNFRNLH-SFHVURJKSA-N 1 0 395.503 4.437 20 0 GIADRO CC(C)(C)c1ccc([C@@H](O)C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000181762761 821981169 /nfs/dbraw/zinc/98/11/69/821981169.db2.gz CCFWXMRQWMQUOV-DEOSSOPVSA-N 1 0 391.559 4.143 20 0 GIADRO CCN(CC)C(=O)c1ccc(NC(=O)C[NH2+][C@H](C)c2cc3ccccc3o2)cc1 ZINC000181765262 821983134 /nfs/dbraw/zinc/98/31/34/821983134.db2.gz CWMIEERBROQIJK-MRXNPFEDSA-N 1 0 393.487 4.204 20 0 GIADRO CC[C@@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1)c1c(C)noc1C ZINC000181770448 821985764 /nfs/dbraw/zinc/98/57/64/821985764.db2.gz UUZVIXVPCUBKKK-AUUYWEPGSA-N 1 0 393.553 4.124 20 0 GIADRO CC[C@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1)c1c(C)noc1C ZINC000181770429 821985908 /nfs/dbraw/zinc/98/59/08/821985908.db2.gz UUZVIXVPCUBKKK-KUHUBIRLSA-N 1 0 393.553 4.124 20 0 GIADRO Cc1cc(C)c(C(=O)N[C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)c(Cl)n1 ZINC000181782789 821989900 /nfs/dbraw/zinc/98/99/00/821989900.db2.gz GEXLUTRXELGOGU-QGZVFWFLSA-N 1 0 399.922 4.070 20 0 GIADRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000181810416 822002229 /nfs/dbraw/zinc/00/22/29/822002229.db2.gz NBGHBZJDZRLJHZ-DLBZAZTESA-N 1 0 396.491 4.181 20 0 GIADRO CC(C)COc1ccc([C@@H](C)[NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 ZINC000181810163 822002314 /nfs/dbraw/zinc/00/23/14/822002314.db2.gz GUYXJJNKCBNJQT-TZIWHRDSSA-N 1 0 380.532 4.421 20 0 GIADRO Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000181813094 822003127 /nfs/dbraw/zinc/00/31/27/822003127.db2.gz DLVQHFNGUVZTGP-UHFFFAOYSA-N 1 0 393.503 4.201 20 0 GIADRO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000181822186 822006385 /nfs/dbraw/zinc/00/63/85/822006385.db2.gz RRADEFRBUNWQJB-QAPCUYQASA-N 1 0 385.577 4.448 20 0 GIADRO COc1cc([C@@H](C)[NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)ccc1SC ZINC000181822297 822006422 /nfs/dbraw/zinc/00/64/22/822006422.db2.gz QLGHOFKSCXHWGG-AEFFLSMTSA-N 1 0 384.545 4.116 20 0 GIADRO c1cn2c(C[NH2+]CCc3nc(-c4ccccn4)cs3)c(C3CC3)nc2s1 ZINC000181827233 822009083 /nfs/dbraw/zinc/00/90/83/822009083.db2.gz YPRATJZVPNUXHG-UHFFFAOYSA-N 1 0 381.530 4.124 20 0 GIADRO CC[C@H]([NH2+]CC(=O)N[C@@H](c1nccs1)c1ccccc1)c1ccc(OC)cc1 ZINC000181843836 822015103 /nfs/dbraw/zinc/01/51/03/822015103.db2.gz GQFPJPSKZWSTNG-PZJWPPBQSA-N 1 0 395.528 4.098 20 0 GIADRO CC(C)OCCCCNC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000181866704 822020910 /nfs/dbraw/zinc/02/09/10/822020910.db2.gz IINGZQLISUYBAC-LJQANCHMSA-N 1 0 375.557 4.065 20 0 GIADRO Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@@H](CC(C)C)c1cccc(C(F)(F)F)c1 ZINC000181872966 822022536 /nfs/dbraw/zinc/02/25/36/822022536.db2.gz RNQZEVNEQBHXTG-INIZCTEOSA-N 1 0 382.430 4.361 20 0 GIADRO C[C@@H]([NH2+]C[C@H](O)c1ccccc1Br)c1cccc(N2CCCC2)c1 ZINC000181877920 822024007 /nfs/dbraw/zinc/02/40/07/822024007.db2.gz MTIXRLLZFCVZJA-QRWLVFNGSA-N 1 0 389.337 4.434 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)c1ccccc1Br)c1cccc(N2CCCC2)c1 ZINC000181877937 822024125 /nfs/dbraw/zinc/02/41/25/822024125.db2.gz MTIXRLLZFCVZJA-MGPUTAFESA-N 1 0 389.337 4.434 20 0 GIADRO Cc1cc(C)c(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)c(Cl)n1 ZINC000181878222 822024654 /nfs/dbraw/zinc/02/46/54/822024654.db2.gz YHQGEPLZUMMGQX-UHFFFAOYSA-N 1 0 377.941 4.055 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(OC(F)F)cc1)c1cccc(N2CCCC2)c1 ZINC000181881648 822025128 /nfs/dbraw/zinc/02/51/28/822025128.db2.gz AUVMEXAWZYGJHU-OAHLLOKOSA-N 1 0 389.446 4.178 20 0 GIADRO CC(C)[C@@H]([NH2+]Cc1cc(=O)n2ccsc2n1)c1cccc(C(F)(F)F)c1 ZINC000181889125 822027356 /nfs/dbraw/zinc/02/73/56/822027356.db2.gz HGRGAUNEOXLSMD-MRXNPFEDSA-N 1 0 381.423 4.262 20 0 GIADRO C[C@H]([NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1)c1cccc(OC(F)(F)F)c1 ZINC000181897683 822030272 /nfs/dbraw/zinc/03/02/72/822030272.db2.gz XOOHGLAZCUUUJU-NSHDSACASA-N 1 0 397.784 4.097 20 0 GIADRO COc1cccc2cc([C@@H](C)[NH2+]C[C@H](c3ccc(OC)c(OC)c3)N(C)C)oc21 ZINC000181918847 822036605 /nfs/dbraw/zinc/03/66/05/822036605.db2.gz QSKTZQWFXSNEMB-CRAIPNDOSA-N 1 0 398.503 4.412 20 0 GIADRO C[C@H]([NH2+]CCNC(=O)c1c(F)cccc1F)c1cc2cc(Cl)ccc2o1 ZINC000181952777 822044168 /nfs/dbraw/zinc/04/41/68/822044168.db2.gz IRGNWBCAPSHPIL-NSHDSACASA-N 1 0 378.806 4.445 20 0 GIADRO CCOc1cc(C[NH2+][C@H](C)c2ccc(NC(C)=O)cc2)ccc1OC(F)F ZINC000181964097 822047540 /nfs/dbraw/zinc/04/75/40/822047540.db2.gz NQEYJMLAEPTXOD-CYBMUJFWSA-N 1 0 378.419 4.496 20 0 GIADRO O=C(Nc1ccc(COCc2ccccc2)cc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000181980340 822051553 /nfs/dbraw/zinc/05/15/53/822051553.db2.gz DHOULEMVIBDQCA-QFIPXVFZSA-N 1 0 393.531 4.353 20 0 GIADRO CCn1c(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C(C)C)nc2cc(F)ccc21 ZINC000181979642 822051727 /nfs/dbraw/zinc/05/17/27/822051727.db2.gz QVFAYWAKXZQRJC-JOCHJYFZSA-N 1 0 383.467 4.453 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)cc1F ZINC000181997587 822057447 /nfs/dbraw/zinc/05/74/47/822057447.db2.gz YVXHCEYJIIZGDB-CVEARBPZSA-N 1 0 385.483 4.112 20 0 GIADRO C[C@@H]([NH2+][C@@H](CC(N)=O)C1CCCCC1)c1ncc(-c2ccc(Cl)cc2)o1 ZINC000182011011 822061359 /nfs/dbraw/zinc/06/13/59/822061359.db2.gz VXDZIVVXMWPCSJ-DYVFJYSZSA-N 1 0 375.900 4.470 20 0 GIADRO CC(=O)Nc1ccc([C@H](C)[NH2+]CCCc2cn(-c3ccccc3)nc2C)cc1 ZINC000182014616 822063254 /nfs/dbraw/zinc/06/32/54/822063254.db2.gz JEWFQIRXTRLECF-KRWDZBQOSA-N 1 0 376.504 4.423 20 0 GIADRO CN(CCC[NH+](C)C)C(=O)c1ccccc1CSc1nc2ccccc2o1 ZINC000182018869 822064495 /nfs/dbraw/zinc/06/44/95/822064495.db2.gz IJCYABWIMGHBMU-UHFFFAOYSA-N 1 0 383.517 4.144 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)cc1F ZINC000182023427 822065854 /nfs/dbraw/zinc/06/58/54/822065854.db2.gz WTAKKGLLYIZCQB-GJZGRUSLSA-N 1 0 384.451 4.451 20 0 GIADRO Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000182031769 822068554 /nfs/dbraw/zinc/06/85/54/822068554.db2.gz KULAYVFRQFMEOT-PMACEKPBSA-N 1 0 384.568 4.323 20 0 GIADRO CC(C)(C)OC(=O)CCC[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000182064990 822079302 /nfs/dbraw/zinc/07/93/02/822079302.db2.gz LUTGGTOFMORWKU-UHFFFAOYSA-N 1 0 398.341 4.166 20 0 GIADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1N[C@H](C)c1nc2ccccc2o1 ZINC000182071176 822081517 /nfs/dbraw/zinc/08/15/17/822081517.db2.gz YGKSPQKGANPYHP-MRXNPFEDSA-N 1 0 380.492 4.151 20 0 GIADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1N[C@@H](C)c1nc2ccccc2o1 ZINC000182071157 822081578 /nfs/dbraw/zinc/08/15/78/822081578.db2.gz YGKSPQKGANPYHP-INIZCTEOSA-N 1 0 380.492 4.151 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CCCCCn2cc(C)cn2)cc1Br ZINC000182073560 822082613 /nfs/dbraw/zinc/08/26/13/822082613.db2.gz PDWMAQKHONRPLR-OAHLLOKOSA-N 1 0 380.330 4.484 20 0 GIADRO COc1cccc([C@@H](O)C[NH2+]C2CCC(O)(c3ccc(C(C)C)cc3)CC2)c1 ZINC000182076249 822083293 /nfs/dbraw/zinc/08/32/93/822083293.db2.gz XUIRXJWPPWVGPC-RZMWZJFBSA-N 1 0 383.532 4.272 20 0 GIADRO CC(=O)Nc1ccc([C@H](C)[NH2+]CC2(N3CCSCC3)CCCCC2)cc1 ZINC000182077588 822083856 /nfs/dbraw/zinc/08/38/56/822083856.db2.gz KJAGQURDGOUDJB-KRWDZBQOSA-N 1 0 375.582 4.047 20 0 GIADRO O=C(Nc1ccc(Br)c(Cl)c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000182084064 822086764 /nfs/dbraw/zinc/08/67/64/822086764.db2.gz SVBJUXIWCHBKCS-LBPRGKRZSA-N 1 0 386.721 4.052 20 0 GIADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000182095671 822092068 /nfs/dbraw/zinc/09/20/68/822092068.db2.gz YNZIQXZKEUHNGM-MRXNPFEDSA-N 1 0 397.906 4.174 20 0 GIADRO COC(=O)c1ccc(-c2nc(C[N@@H+]3CC[C@H](c4ccc(OC)cc4)C3)co2)cc1 ZINC000182104862 822095438 /nfs/dbraw/zinc/09/54/38/822095438.db2.gz LVXHGPWXZPGLQC-IBGZPJMESA-N 1 0 392.455 4.126 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)C[NH2+][C@@H](C)c2ccc(SC(C)C)cc2)c1 ZINC000182105732 822096030 /nfs/dbraw/zinc/09/60/30/822096030.db2.gz ZJXCDEWJZUJBMW-HNNXBMFYSA-N 1 0 385.533 4.435 20 0 GIADRO Cc1cccc([C@@H](NC(=O)NCC[C@@H](C)[NH+]2CCCCC2)c2ccccn2)c1 ZINC000182111448 822098246 /nfs/dbraw/zinc/09/82/46/822098246.db2.gz MLJZOHTWBPLCFQ-DENIHFKCSA-N 1 0 380.536 4.043 20 0 GIADRO CCCC(=O)Nc1ccc(Cl)c(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2CC)c1 ZINC000182129073 822107757 /nfs/dbraw/zinc/10/77/57/822107757.db2.gz VYIJGLPMCARTEN-JKSUJKDBSA-N 1 0 392.931 4.169 20 0 GIADRO CC(=O)Nc1ccc([C@H](C)[NH2+]CCOc2ccc(Br)cc2)cc1 ZINC000182128958 822107833 /nfs/dbraw/zinc/10/78/33/822107833.db2.gz DNEWCVIOLIDATF-ZDUSSCGKSA-N 1 0 377.282 4.137 20 0 GIADRO COc1ccc(Br)cc1C[NH2+][C@@H](C)c1ccc(NC(C)=O)cc1 ZINC000182130129 822108346 /nfs/dbraw/zinc/10/83/46/822108346.db2.gz YGGUKVDAIGLQEF-LBPRGKRZSA-N 1 0 377.282 4.267 20 0 GIADRO CCCC[C@@H]([NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1)c1ccc(OC)cc1 ZINC000182143152 822115024 /nfs/dbraw/zinc/11/50/24/822115024.db2.gz KEWQHKRDSNVVRS-LJQANCHMSA-N 1 0 385.895 4.378 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H]1CCCOc2c(F)cccc21 ZINC000182143996 822115453 /nfs/dbraw/zinc/11/54/53/822115453.db2.gz ZTPHCABOPUAEHA-OAQYLSRUSA-N 1 0 399.510 4.333 20 0 GIADRO CSC1(C[NH2+]C2CCC(O)(c3ccc(C(C)C)cc3)CC2)CCOCC1 ZINC000182145350 822116357 /nfs/dbraw/zinc/11/63/57/822116357.db2.gz MGHDZWFQKDMQEN-UHFFFAOYSA-N 1 0 377.594 4.442 20 0 GIADRO O=C(Nc1cccc(-c2ccc3c(c2)CCO3)c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000182151808 822119709 /nfs/dbraw/zinc/11/97/09/822119709.db2.gz BGWMGLUOTRFKHD-SFHVURJKSA-N 1 0 391.515 4.238 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCCOc2cc(Cl)ccc21)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000182171637 822130323 /nfs/dbraw/zinc/13/03/23/822130323.db2.gz PRJZKYJYUUDYRN-PXAZEXFGSA-N 1 0 397.899 4.447 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)N(C)C[C@H](C)c1nccs1)c1ccsc1 ZINC000182187747 822138886 /nfs/dbraw/zinc/13/88/86/822138886.db2.gz BALZEBFUFNLEFL-GOEBONIOSA-N 1 0 380.583 4.033 20 0 GIADRO COc1cccc([C@@H]2[C@H]([NH2+][C@H](C)c3ccc(NC(C)=O)cc3)CCN2C2CC2)c1 ZINC000182223183 822154856 /nfs/dbraw/zinc/15/48/56/822154856.db2.gz ONSGDHVEDQNCSN-GRFCFPJTSA-N 1 0 393.531 4.282 20 0 GIADRO C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc(F)cc1Cl ZINC000182244190 822164755 /nfs/dbraw/zinc/16/47/55/822164755.db2.gz PMGGIWNHSDXVGW-HNAYVOBHSA-N 1 0 376.903 4.287 20 0 GIADRO Cc1n[nH]c(C)c1[C@@H](C)C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000182329905 822204170 /nfs/dbraw/zinc/20/41/70/822204170.db2.gz MXJTZPPDUFUOIC-MRXNPFEDSA-N 1 0 382.552 4.211 20 0 GIADRO CC[C@H]([NH2+][C@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1)[C@@H]1CCCO1 ZINC000182344604 822209025 /nfs/dbraw/zinc/20/90/25/822209025.db2.gz XHZBQQAGBZLMQH-NYVOZVTQSA-N 1 0 382.504 4.231 20 0 GIADRO COc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@H](C)c2ccc(C)cc2)c(OC)c1 ZINC000182348885 822210397 /nfs/dbraw/zinc/21/03/97/822210397.db2.gz VHGIEVMWCRZCQF-DYESRHJHSA-N 1 0 382.504 4.027 20 0 GIADRO Cc1ccc(C(=O)CCC(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)s1 ZINC000182353430 822211578 /nfs/dbraw/zinc/21/15/78/822211578.db2.gz AYGKSWBYOYYEGC-UHFFFAOYSA-N 1 0 399.560 4.189 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H]3C[C@@]34CCc3ccccc34)cc2)CC1 ZINC000182355458 822213247 /nfs/dbraw/zinc/21/32/47/822213247.db2.gz DBAWNUFLFGPCGU-UKILVPOCSA-N 1 0 389.543 4.060 20 0 GIADRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000182360017 822214963 /nfs/dbraw/zinc/21/49/63/822214963.db2.gz LBQMXZOTJPYPSX-GFCCVEGCSA-N 1 0 397.302 4.017 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3csc(-c4ccoc4)n3)cc2)CC1 ZINC000182368758 822217625 /nfs/dbraw/zinc/21/76/25/822217625.db2.gz XBCBUWTYNYLUIH-UHFFFAOYSA-N 1 0 396.516 4.186 20 0 GIADRO C[C@H](Cc1ccccc1F)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000182371296 822218582 /nfs/dbraw/zinc/21/85/82/822218582.db2.gz YQSCVQHWMPCUOR-QGZVFWFLSA-N 1 0 383.511 4.173 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)C[C@@H]3CCOc4ccccc43)cc2)CC1 ZINC000182373828 822219725 /nfs/dbraw/zinc/21/97/25/822219725.db2.gz IEDPUSDTYVHLQU-SFHVURJKSA-N 1 0 393.531 4.112 20 0 GIADRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)c1 ZINC000182396869 822228264 /nfs/dbraw/zinc/22/82/64/822228264.db2.gz MCZFCNYMPVNYEJ-QWRGUYRKSA-N 1 0 383.275 4.385 20 0 GIADRO C[C@H](NCC1(C[NH2+][C@@H](C)c2ccc(F)cc2F)COC1)c1ccc(F)cc1F ZINC000182418751 822235708 /nfs/dbraw/zinc/23/57/08/822235708.db2.gz UQRAIEKLIFUXIZ-KBPBESRZSA-N 1 0 396.428 4.261 20 0 GIADRO COc1ccc(NC(=O)CC[NH2+][C@@H](C)c2ccc(-c3cccnc3)cc2)cc1 ZINC000182443845 822244676 /nfs/dbraw/zinc/24/46/76/822244676.db2.gz PCYPQLGDLGNFRK-KRWDZBQOSA-N 1 0 375.472 4.437 20 0 GIADRO COc1ccc(O)c([C@@H](C)N[C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)c1 ZINC000182448979 822246271 /nfs/dbraw/zinc/24/62/71/822246271.db2.gz DPPVYWYDXCLDMC-OLZOCXBDSA-N 1 0 387.867 4.440 20 0 GIADRO C[C@H]([NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccc(N2CCCC2=O)cc1 ZINC000177940212 822250101 /nfs/dbraw/zinc/25/01/01/822250101.db2.gz DWGQQYJMEPBBSW-FYSMJZIKSA-N 1 0 392.499 4.387 20 0 GIADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@@H]1CCOc2c(Cl)cccc21 ZINC000177948679 822254321 /nfs/dbraw/zinc/25/43/21/822254321.db2.gz XTIOTABIYSZIAG-BXUZGUMPSA-N 1 0 380.275 4.219 20 0 GIADRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)C(=O)N[C@@H](C)c2cccc3ccccc32)c1 ZINC000182469885 822255313 /nfs/dbraw/zinc/25/53/13/822255313.db2.gz LKTCYNUGIGDQQQ-ULQDDVLXSA-N 1 0 392.499 4.471 20 0 GIADRO COc1ccc(C[C@H](C)[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)cc1OC ZINC000177965291 822260759 /nfs/dbraw/zinc/26/07/59/822260759.db2.gz SAXAMJYCAYMZIQ-KXQSVIISSA-N 1 0 394.515 4.057 20 0 GIADRO Cc1nn(C)c(C)c1C[C@H](C)[NH2+]Cc1cn(Cc2ccccc2)nc1C(C)(C)C ZINC000182484902 822261630 /nfs/dbraw/zinc/26/16/30/822261630.db2.gz JJBDQPUJSZPFON-KRWDZBQOSA-N 1 0 393.579 4.300 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cccc(Br)c1Cl ZINC000182487620 822262706 /nfs/dbraw/zinc/26/27/06/822262706.db2.gz YISKYSYOERFGDX-AWEZNQCLSA-N 1 0 397.700 4.262 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(OC)c1 ZINC000177977304 822266681 /nfs/dbraw/zinc/26/66/81/822266681.db2.gz WTNPVGJWZRKKFK-JKSUJKDBSA-N 1 0 378.513 4.002 20 0 GIADRO CCCOCc1ccccc1CNC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182499697 822269597 /nfs/dbraw/zinc/26/95/97/822269597.db2.gz MCWNXKSLOMKMCB-UYAOXDASSA-N 1 0 387.568 4.065 20 0 GIADRO COC[C@@H]([NH2+]C1CCN(Cc2ccc(F)cc2)CC1)c1ccc(F)c(F)c1 ZINC000182505056 822272033 /nfs/dbraw/zinc/27/20/33/822272033.db2.gz WRSAYQCSWOUZEU-OAQYLSRUSA-N 1 0 378.438 4.046 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cc(Br)c(F)cc2Cl)CC[N@@H+]1C ZINC000177992201 822273119 /nfs/dbraw/zinc/27/31/19/822273119.db2.gz CRGVCYYDHFNEEY-ZJUUUORDSA-N 1 0 392.700 4.188 20 0 GIADRO COc1ccc(/C=C(\C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1F ZINC000182506191 822273303 /nfs/dbraw/zinc/27/33/03/822273303.db2.gz KCRUOWINKWSBCI-SAPNQHFASA-N 1 0 382.479 4.018 20 0 GIADRO CC[C@H](NC(=O)C[NH2+][C@@H](C)c1cccc(NC(C)=O)c1)c1ccc(Cl)cc1 ZINC000182528023 822284546 /nfs/dbraw/zinc/28/45/46/822284546.db2.gz AFLWZANCJDJYNX-XOBRGWDASA-N 1 0 387.911 4.217 20 0 GIADRO Cc1cccc(C)c1NC(=O)CCC[N@@H+](C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000178021623 822286299 /nfs/dbraw/zinc/28/62/99/822286299.db2.gz ODQMLKCHTYACAZ-MYUZEXMDSA-N 1 0 386.561 4.453 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccccc2N(C)Cc2ccccc2)C1 ZINC000178024657 822287497 /nfs/dbraw/zinc/28/74/97/822287497.db2.gz RMWYPLYSWQIMLM-HXUWFJFHSA-N 1 0 380.536 4.129 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)nc2)C1 ZINC000178023757 822287686 /nfs/dbraw/zinc/28/76/86/822287686.db2.gz NFGQEZKLRGVOJI-OAHLLOKOSA-N 1 0 388.899 4.333 20 0 GIADRO CC(=O)c1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)cc1Cl ZINC000182536793 822288715 /nfs/dbraw/zinc/28/87/15/822288715.db2.gz VCMUVFTVQNGVOS-UHFFFAOYSA-N 1 0 391.874 4.277 20 0 GIADRO CC[C@H]([NH2+]Cc1ccc(OCC(N)=O)c(OC)c1)c1ccc(Cl)cc1Cl ZINC000178029177 822289602 /nfs/dbraw/zinc/28/96/02/822289602.db2.gz DVMDOCSHEOVEDV-INIZCTEOSA-N 1 0 397.302 4.107 20 0 GIADRO COc1ccc([C@H](C)NCc2cccc3c2OCO3)cc1C[NH+]1CCCCC1 ZINC000182539380 822290970 /nfs/dbraw/zinc/29/09/70/822290970.db2.gz FVGPDRPQGDMYBM-KRWDZBQOSA-N 1 0 382.504 4.261 20 0 GIADRO Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000182540215 822291469 /nfs/dbraw/zinc/29/14/69/822291469.db2.gz AQXYBKKFEUADIQ-MRXNPFEDSA-N 1 0 396.922 4.084 20 0 GIADRO O=C(N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1cccc(C[NH+]2CCCC2)c1 ZINC000182545328 822294320 /nfs/dbraw/zinc/29/43/20/822294320.db2.gz WAMAUZLVZSQWHF-LEWJYISDSA-N 1 0 384.907 4.196 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+]CC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)c1 ZINC000182544671 822294522 /nfs/dbraw/zinc/29/45/22/822294522.db2.gz QZYWQVPISKUADV-DLBZAZTESA-N 1 0 393.531 4.052 20 0 GIADRO COc1ccccc1-c1ccc([C@@H](C)[NH2+]Cc2cccnc2-n2cncn2)cc1 ZINC000178050974 822301037 /nfs/dbraw/zinc/30/10/37/822301037.db2.gz LGDHCRWRLWDBMO-QGZVFWFLSA-N 1 0 385.471 4.189 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N(C)c1ccccc1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000182557242 822301256 /nfs/dbraw/zinc/30/12/56/822301256.db2.gz NAINSSHUOXWZJK-GOSISDBHSA-N 1 0 387.483 4.253 20 0 GIADRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)Nc1ccc(-c2ncco2)cc1 ZINC000182560244 822302824 /nfs/dbraw/zinc/30/28/24/822302824.db2.gz NHHXPJCJIYMZCB-INIZCTEOSA-N 1 0 396.516 4.437 20 0 GIADRO Cc1cccc(COc2ccc([C@H](C)[NH2+]Cc3cccnc3-n3cncn3)cc2)c1 ZINC000178058261 822304715 /nfs/dbraw/zinc/30/47/15/822304715.db2.gz PZDPYQLVYGPUOG-IBGZPJMESA-N 1 0 399.498 4.401 20 0 GIADRO CC[NH+]1CCN(c2ccc(N[C@@H](C)c3cccc(NC(C)=O)c3)c(C)c2)CC1 ZINC000182566088 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C[C@@H](NC(=O)NCCCc1c[nH]c2ccccc12)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182628073 822329309 /nfs/dbraw/zinc/32/93/09/822329309.db2.gz WFRDPXDUVFKVGT-IEBWSBKVSA-N 1 0 382.552 4.053 20 0 GIADRO C[C@H]([NH2+]CC(=O)N[C@@H](c1nccs1)c1ccccc1)c1cc2ccccc2o1 ZINC000182630845 822330795 /nfs/dbraw/zinc/33/07/95/822330795.db2.gz WCUTZFOYYKEYQB-YCRPNKLZSA-N 1 0 391.496 4.446 20 0 GIADRO O=C(NC1CC[NH+](Cc2cccnc2)CC1)c1ccc(C(F)(F)F)cc1Cl ZINC000182630889 822331100 /nfs/dbraw/zinc/33/11/00/822331100.db2.gz OBHOUCBQIDSIII-UHFFFAOYSA-N 1 0 397.828 4.148 20 0 GIADRO CCc1nc2ccccc2n1C1CC[NH+](C[C@@H](O)CCc2ccccc2)CC1 ZINC000182635221 822332433 /nfs/dbraw/zinc/33/24/33/822332433.db2.gz RZWATVNKOAPNET-NRFANRHFSA-N 1 0 377.532 4.229 20 0 GIADRO CCOc1ccc([C@@H](C)NC(=O)C[NH2+][C@@H](C)c2cc3ccccc3o2)cc1OC ZINC000182636549 822332915 /nfs/dbraw/zinc/33/29/15/822332915.db2.gz YMKRDZSIYQKPIS-CVEARBPZSA-N 1 0 396.487 4.368 20 0 GIADRO Cc1nc(C)c([C@@H](C)[NH2+]C[C@H](c2ccc(Cl)cc2)N2CCOCC2)s1 ZINC000178148947 822333873 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377.941 4.227 20 0 GIADRO CCOc1cccc2cc([C@H](C)[NH2+]C[C@H](O)COCc3cccs3)oc21 ZINC000182651183 822339225 /nfs/dbraw/zinc/33/92/25/822339225.db2.gz SKRFDNBOJDAOIG-HOCLYGCPSA-N 1 0 375.490 4.121 20 0 GIADRO Cc1ccc(OC(F)F)c([C@H](C)[NH2+]CCNC(=O)c2ccccc2Cl)c1 ZINC000178169320 822340458 /nfs/dbraw/zinc/34/04/58/822340458.db2.gz KYSBOGVBVYFBJF-ZDUSSCGKSA-N 1 0 382.838 4.330 20 0 GIADRO CCCOc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)cc1 ZINC000178174025 822341758 /nfs/dbraw/zinc/34/17/58/822341758.db2.gz ZIGUZKZDCKQSAE-HUUCEWRRSA-N 1 0 379.497 4.430 20 0 GIADRO Cc1ccc2[nH]c([C@H]3CCCN(C(=O)[C@H]4CC[N@@H+](C5CCCCC5)C4)C3)nc2c1 ZINC000178175786 822342435 /nfs/dbraw/zinc/34/24/35/822342435.db2.gz DMZOLJDYLRQVNH-OALUTQOASA-N 1 0 394.563 4.232 20 0 GIADRO O=C([C@H]1CC[N@@H+](C2CCCCC2)C1)N1CCn2cccc2[C@@H]1c1ccccc1 ZINC000178175962 822342604 /nfs/dbraw/zinc/34/26/04/822342604.db2.gz VFSWNGFMBNHGLE-REWPJTCUSA-N 1 0 377.532 4.074 20 0 GIADRO O=C(CC[NH+]1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1)c1ccccc1 ZINC000182664734 822343990 /nfs/dbraw/zinc/34/39/90/822343990.db2.gz VZNDMXUQPSGFDL-UHFFFAOYSA-N 1 0 388.870 4.403 20 0 GIADRO Cc1ccc(-c2nc3c(s2)[C@H]([NH2+]Cc2ccc(C(N)=O)cc2)CCC3)cc1 ZINC000178181663 822344867 /nfs/dbraw/zinc/34/48/67/822344867.db2.gz IJXWSLUNGRAPLC-GOSISDBHSA-N 1 0 377.513 4.385 20 0 GIADRO CC[C@H](C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000178183054 822345478 /nfs/dbraw/zinc/34/54/78/822345478.db2.gz KCLPYJOIABTNTD-IQUTYRLHSA-N 1 0 387.911 4.143 20 0 GIADRO CCC(CC)c1cc(CNC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)on1 ZINC000182671011 822346166 /nfs/dbraw/zinc/34/61/66/822346166.db2.gz PRYDPXQRWSPMLC-DOTOQJQBSA-N 1 0 376.545 4.030 20 0 GIADRO CCC(CC)c1cc(CNC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)on1 ZINC000182671069 822346295 /nfs/dbraw/zinc/34/62/95/822346295.db2.gz PRYDPXQRWSPMLC-WBVHZDCISA-N 1 0 376.545 4.030 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](c1ccccc1Cl)N(C)C)c1ccc(N2CCOC2=O)cc1 ZINC000178187988 822346429 /nfs/dbraw/zinc/34/64/29/822346429.db2.gz UBOGOBCIXVBTRI-QRWLVFNGSA-N 1 0 387.911 4.250 20 0 GIADRO CN(C)C(=O)Sc1ccccc1NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178189941 822347185 /nfs/dbraw/zinc/34/71/85/822347185.db2.gz WLHDISBRVKOQTP-HNNXBMFYSA-N 1 0 375.538 4.053 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1ccc(SCC(F)F)cc1 ZINC000178190438 822347631 /nfs/dbraw/zinc/34/76/31/822347631.db2.gz LURBIVYCVBDBOX-ZBFHGGJFSA-N 1 0 378.492 4.153 20 0 GIADRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CCC(=O)N3CCCCC3)s2)cc1 ZINC000178201355 822350703 /nfs/dbraw/zinc/35/07/03/822350703.db2.gz FHENWZVOIMMOBT-HNNXBMFYSA-N 1 0 387.549 4.180 20 0 GIADRO CC(C)c1nnc(CCc2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)o1 ZINC000178211471 822353350 /nfs/dbraw/zinc/35/33/50/822353350.db2.gz RKUHCILOIDIGQL-UHFFFAOYSA-N 1 0 381.480 4.014 20 0 GIADRO C[C@H]([NH3+])c1ccc(NC(=O)CCCOc2cccc(Br)c2)cc1 ZINC000178223249 822355765 /nfs/dbraw/zinc/35/57/65/822355765.db2.gz ZPMXJAUFMWSRKP-ZDUSSCGKSA-N 1 0 377.282 4.267 20 0 GIADRO COc1ccc(OC)c([C@H](C)[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000182705833 822355997 /nfs/dbraw/zinc/35/59/97/822355997.db2.gz YKNTYKZTXFWDQY-HOTGVXAUSA-N 1 0 378.513 4.144 20 0 GIADRO C[C@@H]([NH3+])c1ccc(NC(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)cc1 ZINC000178228341 822356389 /nfs/dbraw/zinc/35/63/89/822356389.db2.gz CDMHEMMFKLJBTK-IAQYHMDHSA-N 1 0 392.286 4.005 20 0 GIADRO COc1ccccc1N1CCC([NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)CC1 ZINC000178230959 822356595 /nfs/dbraw/zinc/35/65/95/822356595.db2.gz KOBDTCDXOWYGGS-SFHVURJKSA-N 1 0 393.531 4.142 20 0 GIADRO COc1ccccc1N1CCC([NH2+][C@@H](C)c2cnn(Cc3ccccc3)c2)CC1 ZINC000178231767 822356909 /nfs/dbraw/zinc/35/69/09/822356909.db2.gz STRLEHVRNXQQDY-IBGZPJMESA-N 1 0 390.531 4.260 20 0 GIADRO C[C@@H]1C[NH+](CCC2CCN(C(=O)CCc3ccc(Cl)s3)CC2)C[C@@H](C)O1 ZINC000178239118 822357559 /nfs/dbraw/zinc/35/75/59/822357559.db2.gz VIYLAZDSENQHOD-HZPDHXFCSA-N 1 0 399.000 4.072 20 0 GIADRO C[C@@H]1C[NH+](CCC2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)C[C@@H](C)O1 ZINC000178244982 822357966 /nfs/dbraw/zinc/35/79/66/822357966.db2.gz CTUZTBJPLUIZID-HZPDHXFCSA-N 1 0 398.469 4.057 20 0 GIADRO Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+][C@H]1CCO[C@H](c2nccn2C)C1 ZINC000453405416 822358516 /nfs/dbraw/zinc/35/85/16/822358516.db2.gz SKQKIBZFZYBEFZ-SZMVWBNQSA-N 1 0 375.900 4.106 20 0 GIADRO C[C@H]1CCC[C@H](C)C1[NH2+]CC(=O)Nc1c(F)cc(F)cc1Br ZINC000182729005 822358619 /nfs/dbraw/zinc/35/86/19/822358619.db2.gz LNMOVOLLPVEWJX-UWVGGRQHSA-N 1 0 375.257 4.080 20 0 GIADRO Cc1nc(C)c([C@@H](C)[NH2+]Cc2ccc(OCCOc3ccccc3)nc2)s1 ZINC000178252049 822358772 /nfs/dbraw/zinc/35/87/72/822358772.db2.gz ZBLHYMFXZASOAI-OAHLLOKOSA-N 1 0 383.517 4.464 20 0 GIADRO Cn1ccnc1[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3ccc(Br)cc32)CCO1 ZINC000453408360 822358795 /nfs/dbraw/zinc/35/87/95/822358795.db2.gz VNIYDLNTBKZCHF-SZMVWBNQSA-N 1 0 390.325 4.070 20 0 GIADRO C[C@@H](CCc1ccco1)NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000045035796 822358942 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4.070 20 0 GIADRO Cc1ncccc1NC(=O)[C@H](C)[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000453417742 822360212 /nfs/dbraw/zinc/36/02/12/822360212.db2.gz CHYPTNLTLFRFFU-KTAKPFMOSA-N 1 0 388.309 4.015 20 0 GIADRO Cc1c([C@@H](C)[NH2+][C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)cnn1C(C)C ZINC000453419615 822360321 /nfs/dbraw/zinc/36/03/21/822360321.db2.gz VTCVLDAFSYWXFN-UIAACRFSSA-N 1 0 394.485 4.453 20 0 GIADRO C[C@H]1C[NH+](CCC2CCN(C(=O)c3ccc(-c4ccccc4)[nH]3)CC2)C[C@H](C)O1 ZINC000178263127 822360399 /nfs/dbraw/zinc/36/03/99/822360399.db2.gz PTLHIVQPCGNXFP-OALUTQOASA-N 1 0 395.547 4.033 20 0 GIADRO C[C@@]1(C[NH2+][C@@H](c2ccc(Cl)cc2)c2ccc(OC(F)F)cc2)CCC(=O)N1 ZINC000453428756 822361768 /nfs/dbraw/zinc/36/17/68/822361768.db2.gz PXQUOGJCQCCRBH-ICSRJNTNSA-N 1 0 394.849 4.289 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+][C@H](CO)Cc1ccc(C)c(C)c1 ZINC000453430878 822361985 /nfs/dbraw/zinc/36/19/85/822361985.db2.gz IYCWHCAMLFHFJI-UZLBHIALSA-N 1 0 381.545 4.385 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+][C@@H](CO)Cc1ccc(C)c(C)c1 ZINC000453430876 822362057 /nfs/dbraw/zinc/36/20/57/822362057.db2.gz IYCWHCAMLFHFJI-OXJNMPFZSA-N 1 0 381.545 4.385 20 0 GIADRO O=C(Cc1ccc(OC(F)(F)F)cc1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000045086000 822362175 /nfs/dbraw/zinc/36/21/75/822362175.db2.gz FYHGQRMXKHPTKN-UHFFFAOYSA-N 1 0 378.394 4.362 20 0 GIADRO COc1cc(OC)c(NC(=O)C[NH2+][C@@H](C)c2cc(C)sc2C)cc1Cl ZINC000182752180 822362352 /nfs/dbraw/zinc/36/23/52/822362352.db2.gz OVYHSAAHINVRCC-NSHDSACASA-N 1 0 382.913 4.325 20 0 GIADRO Cc1cc(Cl)c2c(c1)[C@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)CCCO2 ZINC000178277358 822362391 /nfs/dbraw/zinc/36/23/91/822362391.db2.gz KUXXWYOYIGXSSE-LJQANCHMSA-N 1 0 393.936 4.197 20 0 GIADRO C[C@H](c1cccc(Br)c1)[NH+]1CCC(C(=O)N2CCCCC2)CC1 ZINC000178279580 822362612 /nfs/dbraw/zinc/36/26/12/822362612.db2.gz FJPWDJUUKNBKSY-OAHLLOKOSA-N 1 0 379.342 4.235 20 0 GIADRO CC1(C)C[C@@H](C[NH2+][C@@H](c2ccc(Br)cc2)c2cncnc2)CCO1 ZINC000453444240 822363964 /nfs/dbraw/zinc/36/39/64/822363964.db2.gz XUIQKEWXHODMQM-KSSFIOAISA-N 1 0 390.325 4.123 20 0 GIADRO CC[C@H]([NH2+][C@H](C)c1cccc(N2CCCS2(=O)=O)c1)c1ccc(OC)cc1 ZINC000178290661 822364073 /nfs/dbraw/zinc/36/40/73/822364073.db2.gz OYSWQYGXYXJGKY-IERDGZPVSA-N 1 0 388.533 4.037 20 0 GIADRO Cc1nc([C@H](C)[NH+]2CCC(C(=O)N(C)C)CC2)oc1-c1ccc(Cl)cc1 ZINC000178293528 822364256 /nfs/dbraw/zinc/36/42/56/822364256.db2.gz ALDNZRPEFHEYHM-AWEZNQCLSA-N 1 0 375.900 4.165 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)CCc1ccccc1)c1cccc(OCc2ccccn2)c1 ZINC000182766608 822364247 /nfs/dbraw/zinc/36/42/47/822364247.db2.gz MLTGNALZBVNBOI-XXBNENTESA-N 1 0 376.500 4.305 20 0 GIADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H](Cc2ccccc2)c2ccccc2)c1 ZINC000178297287 822364480 /nfs/dbraw/zinc/36/44/80/822364480.db2.gz ORVXURQKGJFTSE-WZONZLPQSA-N 1 0 394.540 4.229 20 0 GIADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]Cc1ccc(Oc2ccccc2)nc1 ZINC000178297956 822364769 /nfs/dbraw/zinc/36/47/69/822364769.db2.gz WUYVYIZWOFHCHL-OAHLLOKOSA-N 1 0 396.878 4.429 20 0 GIADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](Cc2ccccc2)c2ccccc2)cc1 ZINC000178297685 822364836 /nfs/dbraw/zinc/36/48/36/822364836.db2.gz FBLOQGKVMAPURN-FDDCHVKYSA-N 1 0 394.540 4.229 20 0 GIADRO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]Cc1ccccc1CS(C)(=O)=O ZINC000178299137 822364845 /nfs/dbraw/zinc/36/48/45/822364845.db2.gz HPFAHDMJZLSWNW-CABCVRRESA-N 1 0 388.558 4.123 20 0 GIADRO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]Cc1ccccc1CS(C)(=O)=O ZINC000178300671 822365016 /nfs/dbraw/zinc/36/50/16/822365016.db2.gz DJMDLWBBUMDYTR-ZDUSSCGKSA-N 1 0 380.579 4.144 20 0 GIADRO C[C@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1ccc(SC(F)F)cc1 ZINC000178301807 822365306 /nfs/dbraw/zinc/36/53/06/822365306.db2.gz YVWQVXZKTPAPFZ-ZDUSSCGKSA-N 1 0 385.501 4.397 20 0 GIADRO CCN(c1nnc([C@@H]2CCCCO2)n1CC)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000453455310 822366982 /nfs/dbraw/zinc/36/69/82/822366982.db2.gz SRQZQRMPQTXGHX-GIVPXCGWSA-N 1 0 397.567 4.201 20 0 GIADRO O=C(NCc1nc(C[NH2+][C@H](Cc2ccccc2)C2CC2)cs1)c1ccccc1 ZINC000178326712 822367375 /nfs/dbraw/zinc/36/73/75/822367375.db2.gz DJVCWGZGLJEJEW-OAQYLSRUSA-N 1 0 391.540 4.184 20 0 GIADRO CN(CCc1ccccc1)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000045182217 822368207 /nfs/dbraw/zinc/36/82/07/822368207.db2.gz SBCKFOBUHSUWFM-UHFFFAOYSA-N 1 0 385.939 4.189 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N1CCC[C@@H]1c1ccncc1 ZINC000045186806 822368613 /nfs/dbraw/zinc/36/86/13/822368613.db2.gz YWAVYDYBIGQSCL-JOCHJYFZSA-N 1 0 378.520 4.114 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N1CCC[C@H]1c1ccncc1 ZINC000045186809 822368629 /nfs/dbraw/zinc/36/86/29/822368629.db2.gz YWAVYDYBIGQSCL-QFIPXVFZSA-N 1 0 378.520 4.114 20 0 GIADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(C)s2)cc1 ZINC000178339613 822368693 /nfs/dbraw/zinc/36/86/93/822368693.db2.gz DUNTWPTYLHFWQN-HOTGVXAUSA-N 1 0 380.579 4.499 20 0 GIADRO CCCOCc1ccccc1CNC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000045191395 822369305 /nfs/dbraw/zinc/36/93/05/822369305.db2.gz KHGUWNFOARVINI-UHFFFAOYSA-N 1 0 395.547 4.208 20 0 GIADRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)s1 ZINC000178349129 822370004 /nfs/dbraw/zinc/37/00/04/822370004.db2.gz CKXSNGTYGQZMMI-INIZCTEOSA-N 1 0 378.563 4.082 20 0 GIADRO COc1ccc(OC)c([C@@H](C)[NH2+][C@@H](C)c2ccc(OCc3nccn3C)cc2)c1 ZINC000178356268 822370840 /nfs/dbraw/zinc/37/08/40/822370840.db2.gz WCNKCPTXXKYTPT-DLBZAZTESA-N 1 0 395.503 4.428 20 0 GIADRO COc1cc(OC)c([C@@H](C)[NH2+]C2CCN(CC(F)(F)F)CC2)cc1Cl ZINC000178368488 822371979 /nfs/dbraw/zinc/37/19/79/822371979.db2.gz UZCGZALHGCFMTG-LLVKDONJSA-N 1 0 380.838 4.035 20 0 GIADRO O=C(N[C@H]1CCSc2ccc(Cl)cc21)N1CCC(C[NH+]2CCCC2)CC1 ZINC000045269886 822374998 /nfs/dbraw/zinc/37/49/98/822374998.db2.gz SPWSEKJGEJOOHY-SFHVURJKSA-N 1 0 393.984 4.394 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@H]1c1ccncc1)c1cccc(OC)c1 ZINC000045304859 822377870 /nfs/dbraw/zinc/37/78/70/822377870.db2.gz CDONKAMUIDVTDW-VXKWHMMOSA-N 1 0 396.535 4.020 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@H]1c1ccncc1)c1cccc(OC)c1 ZINC000045304860 822377900 /nfs/dbraw/zinc/37/79/00/822377900.db2.gz CDONKAMUIDVTDW-FCHUYYIVSA-N 1 0 396.535 4.020 20 0 GIADRO O=C(Nc1ccc(SC(F)F)cc1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000178426421 822378018 /nfs/dbraw/zinc/37/80/18/822378018.db2.gz PURKQXGAAKARTI-GUYCJALGSA-N 1 0 381.492 4.482 20 0 GIADRO Cc1ccccc1-c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1Cc1cccs1 ZINC000453499456 822379125 /nfs/dbraw/zinc/37/91/25/822379125.db2.gz OASAZOIPYLDCGN-UHFFFAOYSA-N 1 0 395.576 4.284 20 0 GIADRO O=C(CCc1ccccc1)N1CC[C@H]([NH2+][C@H]2CCSc3c(F)cccc32)C1 ZINC000178444657 822379534 /nfs/dbraw/zinc/37/95/34/822379534.db2.gz GDPZFQUDTLXVTN-PXNSSMCTSA-N 1 0 384.520 4.186 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1OC(F)F ZINC000178446278 822379833 /nfs/dbraw/zinc/37/98/33/822379833.db2.gz WNVUGPXPXAERGT-ZDUSSCGKSA-N 1 0 378.394 4.405 20 0 GIADRO C[C@H](NC(=O)Nc1ccc(OCC(F)(F)F)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182855699 822379794 /nfs/dbraw/zinc/37/97/94/822379794.db2.gz ABVDFDVPUMTMDV-LSDHHAIUSA-N 1 0 399.457 4.402 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+][C@H](C)C(=O)N1CCCCC1 ZINC000178463192 822381518 /nfs/dbraw/zinc/38/15/18/822381518.db2.gz SPJXAMIMSIQULJ-DZGCQCFKSA-N 1 0 375.513 4.309 20 0 GIADRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+][C@@H](C)C(=O)N3CCCCC3)s2)cc1 ZINC000178465521 822381628 /nfs/dbraw/zinc/38/16/28/822381628.db2.gz YREYQVDLAZRCSH-ZBFHGGJFSA-N 1 0 387.549 4.179 20 0 GIADRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+][C@@H](C)C(=O)N3CCCCC3)s2)cc1 ZINC000178465529 822381767 /nfs/dbraw/zinc/38/17/67/822381767.db2.gz YREYQVDLAZRCSH-HOCLYGCPSA-N 1 0 387.549 4.179 20 0 GIADRO CCCCSc1ccc(Cl)cc1C(=O)N1CC[C@H](CN2CCOCC2)C1 ZINC000182869023 822382540 /nfs/dbraw/zinc/38/25/40/822382540.db2.gz LZOOZRRIIZXZNU-MRXNPFEDSA-N 1 0 396.984 4.027 20 0 GIADRO COC(=O)c1ccc(C[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)cc1F ZINC000182869932 822382910 /nfs/dbraw/zinc/38/29/10/822382910.db2.gz GHAOMJYFEZWJIS-ZDUSSCGKSA-N 1 0 385.414 4.096 20 0 GIADRO CC(C)C(=O)Nc1ccc(C[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)cc1 ZINC000178477858 822383247 /nfs/dbraw/zinc/38/32/47/822383247.db2.gz QDAUHZKBDLJVMZ-INIZCTEOSA-N 1 0 381.476 4.089 20 0 GIADRO Cc1c([C@@H](C)NCc2nnc(-c3ccccc3)o2)cnn1-c1ccc(F)cc1 ZINC000182873164 822383583 /nfs/dbraw/zinc/38/35/83/822383583.db2.gz YRGSDPOXYZDPGY-CQSZACIVSA-N 1 0 377.423 4.221 20 0 GIADRO Cc1cc(Br)c(C[NH2+][C@@H](C)c2ccc(-n3ccnn3)cc2)s1 ZINC000453563463 822385026 /nfs/dbraw/zinc/38/50/26/822385026.db2.gz DJMWWKCEIBIWAH-LBPRGKRZSA-N 1 0 377.311 4.251 20 0 GIADRO C[C@H](NC(=O)N(C)Cc1ccc(Cl)c(F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182882484 822385529 /nfs/dbraw/zinc/38/55/29/822385529.db2.gz HDYJTJPXDOFNSO-HOCLYGCPSA-N 1 0 381.923 4.274 20 0 GIADRO O=C(NC1CC[NH+](C2CC2)CC1)N(CCc1ccccc1)Cc1ccccc1 ZINC000045409791 822385578 /nfs/dbraw/zinc/38/55/78/822385578.db2.gz JGRODSMMSJMFFN-UHFFFAOYSA-N 1 0 377.532 4.068 20 0 GIADRO Clc1cccc(N2CC[NH+](C3CCN(C/C=C/c4ccncc4)CC3)CC2)c1 ZINC000453570013 822385901 /nfs/dbraw/zinc/38/59/01/822385901.db2.gz BSRBZOKACBOOGX-NSCUHMNNSA-N 1 0 396.966 4.035 20 0 GIADRO CCC[C@H]([NH2+][C@@H](C)c1sc(C)nc1C)C(=O)N1CCc2sccc2C1 ZINC000178503535 822385960 /nfs/dbraw/zinc/38/59/60/822385960.db2.gz VUDHRZCERMTFEA-BBRMVZONSA-N 1 0 377.579 4.226 20 0 GIADRO Cc1cc(Br)c(C[NH2+][C@@H]2CCOC3(CCSCC3)C2)s1 ZINC000453572918 822386259 /nfs/dbraw/zinc/38/62/59/822386259.db2.gz OYFMDWFCCGFNMV-GFCCVEGCSA-N 1 0 376.385 4.353 20 0 GIADRO CC1(C)C[C@H](C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CCO1 ZINC000453573570 822386315 /nfs/dbraw/zinc/38/63/15/822386315.db2.gz ALUZZDKWBYDROH-HXUWFJFHSA-N 1 0 390.531 4.288 20 0 GIADRO Cc1nn(C)cc1[C@H](C)[NH2+]Cc1ccccc1-c1ccc(Cn2cccn2)cc1 ZINC000178511816 822386562 /nfs/dbraw/zinc/38/65/62/822386562.db2.gz HMVZVGYBILHUKQ-SFHVURJKSA-N 1 0 385.515 4.491 20 0 GIADRO COc1ccc(C[NH+]2CCC3(CC2)OCCc2ccccc23)c(OC(F)F)c1 ZINC000453574900 822386643 /nfs/dbraw/zinc/38/66/43/822386643.db2.gz MUOYTCPEKDKTJG-UHFFFAOYSA-N 1 0 389.442 4.361 20 0 GIADRO Cc1c([C@@H](C)[NH2+]CCCc2nc(C(C)C)no2)nnn1-c1ccc(Cl)cc1 ZINC000178515619 822387077 /nfs/dbraw/zinc/38/70/77/822387077.db2.gz GWTIYMZUSMFPRS-CYBMUJFWSA-N 1 0 388.903 4.019 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1cccc(C(=O)N2CCCCC2)c1 ZINC000182891973 822387211 /nfs/dbraw/zinc/38/72/11/822387211.db2.gz VAAQHLFGDLDSQM-XXBNENTESA-N 1 0 392.547 4.030 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)C(=O)N[C@H](c3ccccc3)C(C)(C)C)ccc21 ZINC000453578965 822387485 /nfs/dbraw/zinc/38/74/85/822387485.db2.gz VZCXKXJQPOQESK-LEWJYISDSA-N 1 0 393.531 4.078 20 0 GIADRO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000178523679 822387704 /nfs/dbraw/zinc/38/77/04/822387704.db2.gz MEAVOVQCHBTKFW-QHCPKHFHSA-N 1 0 397.563 4.100 20 0 GIADRO Cc1cc(Br)c(C[NH2+]Cc2ccc(CN3CCCC3=O)cc2)s1 ZINC000453583040 822388123 /nfs/dbraw/zinc/38/81/23/822388123.db2.gz FYHNUZSBTBBZTR-UHFFFAOYSA-N 1 0 393.350 4.231 20 0 GIADRO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CCCc1nnc2n1CCCCC2 ZINC000178526354 822388162 /nfs/dbraw/zinc/38/81/62/822388162.db2.gz XCNNTZNCQYFNFQ-CVEARBPZSA-N 1 0 383.565 4.329 20 0 GIADRO C[C@H](NC(=O)N1CCc2ccc(Cl)cc2C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182897198 822388209 /nfs/dbraw/zinc/38/82/09/822388209.db2.gz MLFNKSQAPMAPFT-DOTOQJQBSA-N 1 0 375.944 4.061 20 0 GIADRO C[C@@H]([NH2+]CCCc1nnc2n1CCCCC2)c1cccc(OC(F)(F)F)c1 ZINC000178529122 822388368 /nfs/dbraw/zinc/38/83/68/822388368.db2.gz XMLXQHRASVCWMH-CQSZACIVSA-N 1 0 382.430 4.187 20 0 GIADRO C[C@@H](NC(=O)c1ccc(C(F)(F)F)nc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182898650 822388590 /nfs/dbraw/zinc/38/85/90/822388590.db2.gz KOLSFXPRERSZPR-NEPJUHHUSA-N 1 0 389.849 4.137 20 0 GIADRO Cc1cc(Br)c(C[NH2+]CCc2cc(F)cc3c2OCOC3)s1 ZINC000453588678 822389534 /nfs/dbraw/zinc/38/95/34/822389534.db2.gz LZIVNNGFZCKNOS-UHFFFAOYSA-N 1 0 386.286 4.157 20 0 GIADRO Cc1cc(Br)c(C[NH2+]Cc2ccc(N3CCCCC3)nc2)s1 ZINC000453589756 822389692 /nfs/dbraw/zinc/38/96/92/822389692.db2.gz NFZGSCGEOPLDTB-UHFFFAOYSA-N 1 0 380.355 4.494 20 0 GIADRO Cc1ccc(OC2CCN(C(=O)N[C@@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)CC2)cc1 ZINC000182905863 822390127 /nfs/dbraw/zinc/39/01/27/822390127.db2.gz UIRZHKOKFBLBCI-PMACEKPBSA-N 1 0 399.579 4.201 20 0 GIADRO C[C@H](NC(=O)Nc1ccc(OC(F)F)c(F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182906426 822390196 /nfs/dbraw/zinc/39/01/96/822390196.db2.gz CDQZQEUIHCZDJU-QWHCGFSZSA-N 1 0 385.430 4.202 20 0 GIADRO C[C@@H](NC(=O)Nc1ccc(OC(F)F)c(F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182906446 822390225 /nfs/dbraw/zinc/39/02/25/822390225.db2.gz CDQZQEUIHCZDJU-CHWSQXEVSA-N 1 0 385.430 4.202 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)Nc1c(F)cc(Cl)cc1F ZINC000182908749 822390674 /nfs/dbraw/zinc/39/06/74/822390674.db2.gz UVYPBGFHIIWRDH-UHFFFAOYSA-N 1 0 385.817 4.353 20 0 GIADRO C[C@H](NC(=O)N1CC=C(c2ccc(F)cc2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182910950 822391177 /nfs/dbraw/zinc/39/11/77/822391177.db2.gz DENWLTNJRUVUPL-FXAWDEMLSA-N 1 0 385.527 4.277 20 0 GIADRO C[C@@H](NC(=O)N1CCc2[nH]c3ccc(F)cc3c2C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182912557 822391510 /nfs/dbraw/zinc/39/15/10/822391510.db2.gz MFFTXEUWZYWALU-HZPDHXFCSA-N 1 0 398.526 4.028 20 0 GIADRO COc1ccc(C[NH2+][C@@H](C(C)C)C2(CO)CCCC2)cc1OCc1cccnc1 ZINC000453609658 822392580 /nfs/dbraw/zinc/39/25/80/822392580.db2.gz GTXYMRMYEYYGGS-QHCPKHFHSA-N 1 0 398.547 4.336 20 0 GIADRO FC(F)(F)CN1Cc2ccc(NC3CC[NH+](Cc4ccccn4)CC3)cc2C1 ZINC000453610910 822392635 /nfs/dbraw/zinc/39/26/35/822392635.db2.gz JVFDXUSXTBPTAP-UHFFFAOYSA-N 1 0 390.453 4.036 20 0 GIADRO C[C@H](NC(=O)N(Cc1ccccc1)C[C@@H]1CCCO1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182921882 822393117 /nfs/dbraw/zinc/39/31/17/822393117.db2.gz DYGXQONGQBVUSD-RRPUWOKSSA-N 1 0 399.579 4.030 20 0 GIADRO COc1ccccc1CN(C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C1CC1 ZINC000182924851 822393735 /nfs/dbraw/zinc/39/37/35/822393735.db2.gz GDWWDPQDVFCMDI-ZWKOTPCHSA-N 1 0 385.552 4.022 20 0 GIADRO CC(C)[C@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)NC(C)(C)c3ccccc3)c2C1 ZINC000453622385 822394813 /nfs/dbraw/zinc/39/48/13/822394813.db2.gz BGQVNKDZCHHRRS-KRWDZBQOSA-N 1 0 393.531 4.037 20 0 GIADRO C[C@@H]1CN(Cc2cccc(C[NH2+][C@@H]3CCSc4c(F)cccc43)c2)CCO1 ZINC000178616781 822396393 /nfs/dbraw/zinc/39/63/93/822396393.db2.gz ZBUDKKUWWXUXCK-IIBYNOLFSA-N 1 0 386.536 4.373 20 0 GIADRO C[C@H](NC(=O)N1CCC[C@@H]1c1cccc(N(C)C)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182939945 822396641 /nfs/dbraw/zinc/39/66/41/822396641.db2.gz ITNNFIYJKDOYTB-JXHRLWIKSA-N 1 0 398.595 4.252 20 0 GIADRO CCSc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc(S(=O)(=O)NC)c2)cc1 ZINC000178621678 822396942 /nfs/dbraw/zinc/39/69/42/822396942.db2.gz GGZBSBBXCSSKNT-HUUCEWRRSA-N 1 0 378.563 4.119 20 0 GIADRO Cc1cccc(NC2CCN(C(=O)N[C@@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)CC2)c1 ZINC000182947210 822397918 /nfs/dbraw/zinc/39/79/18/822397918.db2.gz FBOVRLUSFRYRKO-PMACEKPBSA-N 1 0 398.595 4.234 20 0 GIADRO Cc1cccc(NC2CCN(C(=O)N[C@@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)CC2)c1 ZINC000182947167 822397932 /nfs/dbraw/zinc/39/79/32/822397932.db2.gz FBOVRLUSFRYRKO-VQTJNVASSA-N 1 0 398.595 4.234 20 0 GIADRO CCCOc1ccc([C@H](C)[NH2+]Cc2cccc(C(=O)NC[C@H]3CCCO3)c2)cc1 ZINC000178640334 822398690 /nfs/dbraw/zinc/39/86/90/822398690.db2.gz JHPALKWCGUPBPP-FDDCHVKYSA-N 1 0 396.531 4.235 20 0 GIADRO CCCN(C(=O)c1sc(-c2ccc(Cl)cc2)nc1C)C1CC[NH2+]CC1 ZINC000178653599 822399858 /nfs/dbraw/zinc/39/98/58/822399858.db2.gz RMABEVDOYIBRRI-UHFFFAOYSA-N 1 0 377.941 4.376 20 0 GIADRO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)[C@H](C)CCc1cccc(F)c1 ZINC000182960408 822400346 /nfs/dbraw/zinc/40/03/46/822400346.db2.gz QXPNSCGGHQNFSC-MRXNPFEDSA-N 1 0 385.483 4.066 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)C(=O)Nc3ccc(C(C)(C)C)cc3)ccc21 ZINC000453689054 822400912 /nfs/dbraw/zinc/40/09/12/822400912.db2.gz FFGGPBQIJJUGNU-HXUWFJFHSA-N 1 0 379.504 4.110 20 0 GIADRO C[C@H](NC(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000045626086 822401314 /nfs/dbraw/zinc/40/13/14/822401314.db2.gz YCOBDMWFEJYCHU-HNNXBMFYSA-N 1 0 383.458 4.284 20 0 GIADRO Cc1ccc(OCCCC(=O)Nc2ccc(C[NH2+][C@@H]3CCO[C@H]3C)cc2)cc1 ZINC000178676728 822402025 /nfs/dbraw/zinc/40/20/25/822402025.db2.gz UGJKPEIKKUVWNX-PGRDOPGGSA-N 1 0 382.504 4.060 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)N(Cc1ccco1)Cc1cccs1)c1ccsc1 ZINC000045658378 822403118 /nfs/dbraw/zinc/40/31/18/822403118.db2.gz KYGJKQHTVULZHT-SFHVURJKSA-N 1 0 389.546 4.417 20 0 GIADRO Cc1cc(N2CCC([NH2+][C@H](C)c3ccc(OC(F)F)cc3)CC2)nc(C)n1 ZINC000178695244 822403341 /nfs/dbraw/zinc/40/33/41/822403341.db2.gz YQZARMYKCQZGBN-CQSZACIVSA-N 1 0 376.451 4.014 20 0 GIADRO CCOc1ccc2c(c1)[C@H]([NH2+]Cc1cc(Cl)c3c(c1)OCCO3)CCO2 ZINC000178695641 822403567 /nfs/dbraw/zinc/40/35/67/822403567.db2.gz LPWDCZXKQYXCSB-QGZVFWFLSA-N 1 0 375.852 4.123 20 0 GIADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@@H](c1ccccc1)c1ccncc1 ZINC000178701801 822404106 /nfs/dbraw/zinc/40/41/06/822404106.db2.gz UZABYXWOKJAIBC-QRWLVFNGSA-N 1 0 380.879 4.226 20 0 GIADRO CC[C@@H](C)NC(=O)CC[NH2+][C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000178717480 822405279 /nfs/dbraw/zinc/40/52/79/822405279.db2.gz SVTJQMYBCZQXEV-CJNGLKHVSA-N 1 0 375.513 4.221 20 0 GIADRO COc1ccccc1NC(=O)c1ccc(NC(=O)CC[NH+]2CCC(C)CC2)cc1 ZINC000045685099 822405397 /nfs/dbraw/zinc/40/53/97/822405397.db2.gz WNEHWZNAFGTEKI-UHFFFAOYSA-N 1 0 395.503 4.008 20 0 GIADRO Cc1nn(C)cc1[C@H](C)[NH2+][C@H](C)c1ccc(OC(F)F)cc1OC(F)F ZINC000178722096 822405401 /nfs/dbraw/zinc/40/54/01/822405401.db2.gz PQFRQIHINMGDOK-ZJUUUORDSA-N 1 0 375.366 4.343 20 0 GIADRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(-n3cncn3)cc2)c2cccc(Br)c21 ZINC000178743175 822406708 /nfs/dbraw/zinc/40/67/08/822406708.db2.gz UNUWXTYVOJDFJK-SCLBCKFNSA-N 1 0 383.293 4.368 20 0 GIADRO CCCCN(C(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)C1CCCCC1 ZINC000453764046 822408220 /nfs/dbraw/zinc/40/82/20/822408220.db2.gz BXWGPISPGUEZJZ-NRFANRHFSA-N 1 0 385.552 4.135 20 0 GIADRO Cc1cc2c(cc1C)[C@@H](Nc1cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c1)CCCO2 ZINC000183004881 822409707 /nfs/dbraw/zinc/40/97/07/822409707.db2.gz IVDLLLDSJAEEHN-FCHUYYIVSA-N 1 0 393.531 4.079 20 0 GIADRO CC[C@H](NC(=O)NC1CC[NH+](Cc2ccccn2)CC1)c1cccc(Cl)c1 ZINC000045755154 822410609 /nfs/dbraw/zinc/41/06/09/822410609.db2.gz NTTJYSICWCRDEX-FQEVSTJZSA-N 1 0 386.927 4.150 20 0 GIADRO O=C(Nc1ccc(SC(F)F)cc1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000045755769 822410635 /nfs/dbraw/zinc/41/06/35/822410635.db2.gz CHRHPRKKEBWERM-UHFFFAOYSA-N 1 0 392.475 4.182 20 0 GIADRO C[C@@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)c1cc(Br)ccc1F ZINC000178798011 822411313 /nfs/dbraw/zinc/41/13/13/822411313.db2.gz FKQBMAAKKJRKJS-CYBMUJFWSA-N 1 0 393.300 4.183 20 0 GIADRO CC[C@H](Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1)c1cc(C)ccc1OC ZINC000183013963 822411566 /nfs/dbraw/zinc/41/15/66/822411566.db2.gz BHEPFCKRIDLPPU-LEWJYISDSA-N 1 0 381.520 4.017 20 0 GIADRO C[C@@H](C(=O)Nc1ccccc1Cc1ccccc1)N1CC[NH+](C2CCCC2)CC1 ZINC000045769169 822411705 /nfs/dbraw/zinc/41/17/05/822411705.db2.gz MTQFJVBVUQYBSY-FQEVSTJZSA-N 1 0 391.559 4.165 20 0 GIADRO COc1ccc(CN(C)C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000045779297 822412541 /nfs/dbraw/zinc/41/25/41/822412541.db2.gz VWEHKPYEBJHYEZ-IBGZPJMESA-N 1 0 395.547 4.411 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N(C)Cc1ccc(F)c(F)c1 ZINC000045789704 822414047 /nfs/dbraw/zinc/41/40/47/822414047.db2.gz KRVHQZGHKQKZMH-UHFFFAOYSA-N 1 0 375.463 4.147 20 0 GIADRO C[C@@H]([NH3+])C1CCN(C(=O)c2ccccc2CSc2nc3ccccc3[nH]2)CC1 ZINC000178829418 822414585 /nfs/dbraw/zinc/41/45/85/822414585.db2.gz LHGKVOUXFPGHNP-OAHLLOKOSA-N 1 0 394.544 4.055 20 0 GIADRO CCCCOc1c(Cl)cc(C(=O)N2CCC([C@@H](C)[NH3+])CC2)cc1OCC ZINC000178829614 822414590 /nfs/dbraw/zinc/41/45/90/822414590.db2.gz YULWKLVYCITCBM-CQSZACIVSA-N 1 0 382.932 4.117 20 0 GIADRO CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H](COc3ccccc3Cl)C2)CC1 ZINC000178840773 822415611 /nfs/dbraw/zinc/41/56/11/822415611.db2.gz OIDSBNKEXFXPIY-QGZVFWFLSA-N 1 0 378.944 4.078 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(Br)c[nH]1)c1ccccc1Cl ZINC000045820203 822416669 /nfs/dbraw/zinc/41/66/69/822416669.db2.gz SWBIRFQNQNJQCA-INIZCTEOSA-N 1 0 398.732 4.244 20 0 GIADRO C[C@@H]([NH3+])C1CCN(C(=O)[C@@H](Sc2ccc(F)c(F)c2)c2ccccc2)CC1 ZINC000178861667 822417358 /nfs/dbraw/zinc/41/73/58/822417358.db2.gz UEPZVKITVLFBHL-VLIAUNLRSA-N 1 0 390.499 4.384 20 0 GIADRO O=C(c1ccccc1)N1CCC([NH2+]Cc2ccc(-c3ccncc3)cc2F)CC1 ZINC000178866225 822417569 /nfs/dbraw/zinc/41/75/69/822417569.db2.gz DARDEAAGUCTOOL-UHFFFAOYSA-N 1 0 389.474 4.282 20 0 GIADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc(Oc3ccccc3)nc2)C1 ZINC000178884549 822418714 /nfs/dbraw/zinc/41/87/14/822418714.db2.gz JSYQNUJEXDNWLQ-FQEVSTJZSA-N 1 0 396.535 4.041 20 0 GIADRO COC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(OC(F)(F)F)cc2)cc1OC ZINC000178885525 822418997 /nfs/dbraw/zinc/41/89/97/822418997.db2.gz UKCYJSZHEMWBRM-LBPRGKRZSA-N 1 0 383.366 4.231 20 0 GIADRO Cc1ccc2ncc(C[NH2+]Cc3ccc(NC(=O)c4ccc(F)cc4)cc3)n2c1 ZINC000178888103 822419248 /nfs/dbraw/zinc/41/92/48/822419248.db2.gz LIEBJZUWINWAQV-UHFFFAOYSA-N 1 0 388.446 4.324 20 0 GIADRO C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000178934109 822422804 /nfs/dbraw/zinc/42/28/04/822422804.db2.gz JZWYKEXTUVZSCK-ZFWWWQNUSA-N 1 0 380.414 4.452 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)Nc2cccc(-c3nccn3C)c2)CC1 ZINC000183088899 822423224 /nfs/dbraw/zinc/42/32/24/822423224.db2.gz BSVIELSVLVWUJA-UHFFFAOYSA-N 1 0 397.567 4.453 20 0 GIADRO C[C@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000178940127 822423356 /nfs/dbraw/zinc/42/33/56/822423356.db2.gz LQVQPPUUSFCLBA-DDUZABMNSA-N 1 0 382.426 4.122 20 0 GIADRO C[C@H](NCc1csc(-c2ccc3c(c2)OCO3)n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183104224 822424809 /nfs/dbraw/zinc/42/48/09/822424809.db2.gz MPGQOOMIHNDULT-RDJZCZTQSA-N 1 0 399.560 4.281 20 0 GIADRO C[S@@](=O)C[C@H]([NH2+]CCCOc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000183104915 822424956 /nfs/dbraw/zinc/42/49/56/822424956.db2.gz HRPZDGBOBRTWNF-HFJWLAOPSA-N 1 0 385.451 4.184 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1ccc(Br)cc1F ZINC000045957586 822426848 /nfs/dbraw/zinc/42/68/48/822426848.db2.gz AVBBPEROZZQJOW-ZDUSSCGKSA-N 1 0 386.309 4.364 20 0 GIADRO Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)c(Br)c1 ZINC000178996581 822427711 /nfs/dbraw/zinc/42/77/11/822427711.db2.gz QKSIYXVUDBPEKW-UHFFFAOYSA-N 1 0 387.321 4.283 20 0 GIADRO Cc1cccc([C@@H](C)NC(=O)C(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)c1 ZINC000454090146 822428006 /nfs/dbraw/zinc/42/80/06/822428006.db2.gz LJCXHLVKYPYBIR-LJQANCHMSA-N 1 0 393.531 4.043 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(C)cc2C)cc1 ZINC000183140292 822429827 /nfs/dbraw/zinc/42/98/27/822429827.db2.gz XIHVCMQRIWSBSY-ROUUACIJSA-N 1 0 376.504 4.475 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(F)cc2F)cc1 ZINC000183142839 822430246 /nfs/dbraw/zinc/43/02/46/822430246.db2.gz CGNHUODZRSNYCA-KGLIPLIRSA-N 1 0 384.430 4.137 20 0 GIADRO C[C@H](CCNC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)[NH+]1CCCCC1 ZINC000183143791 822430561 /nfs/dbraw/zinc/43/05/61/822430561.db2.gz YJCHZSNDYHDTNO-MRXNPFEDSA-N 1 0 389.927 4.308 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)N2CC=C(c3ccc(O)cc3)CC2)c1 ZINC000045986381 822430617 /nfs/dbraw/zinc/43/06/17/822430617.db2.gz QBHWJDKSEVGSSC-UHFFFAOYSA-N 1 0 393.531 4.233 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000183145475 822430728 /nfs/dbraw/zinc/43/07/28/822430728.db2.gz NASRTQDREJRUMZ-KGLIPLIRSA-N 1 0 384.430 4.137 20 0 GIADRO CCCOc1c(Cl)cc(C[NH2+]Cc2cccc(N(C)C)n2)cc1OCC ZINC000179032272 822431647 /nfs/dbraw/zinc/43/16/47/822431647.db2.gz PGHKGCBGGHNLFZ-UHFFFAOYSA-N 1 0 377.916 4.278 20 0 GIADRO CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)Nc3cccc(C)c3C)CC2)cc1 ZINC000454138770 822432681 /nfs/dbraw/zinc/43/26/81/822432681.db2.gz GKWYPFRWRBRVCP-UHFFFAOYSA-N 1 0 394.519 4.048 20 0 GIADRO O=C(c1ccccc1)N1CCC([NH2+]Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000179057241 822434181 /nfs/dbraw/zinc/43/41/81/822434181.db2.gz PSVSPJKFEIYLNW-UHFFFAOYSA-N 1 0 380.385 4.239 20 0 GIADRO CCN(CC)C(=O)CCC1CC[NH+](Cc2cn(C)nc2C2CCCCC2)CC1 ZINC000183170987 822434998 /nfs/dbraw/zinc/43/49/98/822434998.db2.gz PDUGHWVIZIXVMF-UHFFFAOYSA-N 1 0 388.600 4.328 20 0 GIADRO Cc1ccccc1C[N@H+]1CCCN(C(=O)Nc2ccc(N(C)C)cc2C)CC1 ZINC000046030516 822436639 /nfs/dbraw/zinc/43/66/39/822436639.db2.gz YDODXDHRSILWLC-UHFFFAOYSA-N 1 0 380.536 4.109 20 0 GIADRO C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCSc3ccc(F)cc32)[C@@H]1c1ccccc1 ZINC000179086537 822436765 /nfs/dbraw/zinc/43/67/65/822436765.db2.gz ZMGBHTLWXGCIFX-HBFSDRIKSA-N 1 0 385.508 4.107 20 0 GIADRO Cc1cc(N(C)C)ccc1NC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000046030731 822436885 /nfs/dbraw/zinc/43/68/85/822436885.db2.gz BYQUPUIWQAXREJ-UHFFFAOYSA-N 1 0 380.536 4.369 20 0 GIADRO COCc1ccccc1NC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000046032448 822437154 /nfs/dbraw/zinc/43/71/54/822437154.db2.gz FDXXTHYVZJIKDX-FQEVSTJZSA-N 1 0 387.911 4.445 20 0 GIADRO C[C@H](NC(=O)c1ccccc1NC(=O)OCc1ccccc1)C(C)(C)C[NH+](C)C ZINC000183185970 822437731 /nfs/dbraw/zinc/43/77/31/822437731.db2.gz OGWARPJDDIUGMA-KRWDZBQOSA-N 1 0 397.519 4.141 20 0 GIADRO Cc1noc(C)c1C[N@H+](C)C[C@H](O)CO[C@H](c1ccccc1)c1ccccc1C ZINC000046060695 822438364 /nfs/dbraw/zinc/43/83/64/822438364.db2.gz JTQFUXXLCNWZBB-XUZZJYLKSA-N 1 0 394.515 4.199 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[C@H](C(F)(F)F)C[C@@H]1C ZINC000454202114 822438367 /nfs/dbraw/zinc/43/83/67/822438367.db2.gz BVHVYKDUABHISF-YJBOKZPZSA-N 1 0 385.474 4.401 20 0 GIADRO CCOc1ccc(C(=O)N2CCC([NH2+][C@@H](C)c3ccc(Cl)nc3)CC2)cc1 ZINC000179114484 822439726 /nfs/dbraw/zinc/43/97/26/822439726.db2.gz MUJSRZIBGCRVTD-HNNXBMFYSA-N 1 0 387.911 4.089 20 0 GIADRO Cc1cnc([C@H](C)C[NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)s1 ZINC000183201418 822440540 /nfs/dbraw/zinc/44/05/40/822440540.db2.gz YQKPDWIGWLQFKM-VXGBXAGGSA-N 1 0 396.354 4.324 20 0 GIADRO O=C(C[N@@H+]1CCC[C@@H]1c1ccsc1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000046089363 822440646 /nfs/dbraw/zinc/44/06/46/822440646.db2.gz UGYDHCSJHLBAOU-MOPGFXCFSA-N 1 0 398.528 4.020 20 0 GIADRO O=C(c1cc(-c2ccccn2)ccc1Cl)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000179123426 822440770 /nfs/dbraw/zinc/44/07/70/822440770.db2.gz YJXLVVCGYQGPCV-KRWDZBQOSA-N 1 0 383.923 4.350 20 0 GIADRO Cn1cc(Cl)c(CNC(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)n1 ZINC000454227842 822441120 /nfs/dbraw/zinc/44/11/20/822441120.db2.gz NGDIRCFOCACAQT-UHFFFAOYSA-N 1 0 389.931 4.160 20 0 GIADRO CC[NH+](CC)CCOc1ccc(CNC(=O)N2CC[C@@H]2c2ccccc2)cc1 ZINC000046104980 822441239 /nfs/dbraw/zinc/44/12/39/822441239.db2.gz HFHUTZNPQQVLAC-JOCHJYFZSA-N 1 0 381.520 4.064 20 0 GIADRO CC[NH+](CC)CCOc1ccc(CNC(=O)N(C)[C@@H](C)c2ccccc2)cc1 ZINC000046104700 822441372 /nfs/dbraw/zinc/44/13/72/822441372.db2.gz FKLCHJBSIZWVOX-IBGZPJMESA-N 1 0 383.536 4.310 20 0 GIADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)CC2CCC(C(F)(F)F)CC2)CC1 ZINC000183209790 822441809 /nfs/dbraw/zinc/44/18/09/822441809.db2.gz QEQBUEOYBWVPOG-HJOIGYKYSA-N 1 0 397.485 4.482 20 0 GIADRO C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000454238249 822442325 /nfs/dbraw/zinc/44/23/25/822442325.db2.gz MGHPDLKKPZJONV-NJAFHUGGSA-N 1 0 383.458 4.196 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2ccc(-c3ncn(C)n3)cc2)cc1 ZINC000183216201 822442965 /nfs/dbraw/zinc/44/29/65/822442965.db2.gz NCQQZBIARRIYJG-KRWDZBQOSA-N 1 0 389.503 4.109 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N(C)Cc2ccccc2O)C1 ZINC000046129567 822442997 /nfs/dbraw/zinc/44/29/97/822442997.db2.gz BNJUMQHYWUPFPO-KDURUIRLSA-N 1 0 395.547 4.212 20 0 GIADRO Cc1ccccc1C(C)(C)NC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000454246712 822443240 /nfs/dbraw/zinc/44/32/40/822443240.db2.gz JLJKQAFEVPCLKU-UHFFFAOYSA-N 1 0 380.536 4.112 20 0 GIADRO O=C(NC[C@H]1CCC[N@H+](Cc2cccc3cnccc32)C1)Nc1cccc(F)c1 ZINC000183220382 822443608 /nfs/dbraw/zinc/44/36/08/822443608.db2.gz UXUSKDITMYYZEN-QGZVFWFLSA-N 1 0 392.478 4.408 20 0 GIADRO CC[C@H](CC(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1)c1ccc(OC)cc1 ZINC000179149013 822443929 /nfs/dbraw/zinc/44/39/29/822443929.db2.gz ZPZSFVWVTPFQPM-LJQANCHMSA-N 1 0 395.547 4.360 20 0 GIADRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000183227235 822444225 /nfs/dbraw/zinc/44/42/25/822444225.db2.gz KPHYPCAHAXKYBW-AHIJYVNXSA-N 1 0 389.511 4.382 20 0 GIADRO C[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1nc(C(C)(C)C)cs1 ZINC000179153656 822444538 /nfs/dbraw/zinc/44/45/38/822444538.db2.gz NDCKNQLLWMDPJF-YXJHDRRASA-N 1 0 386.565 4.246 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccc(N4CCOC4=O)cc3)cc2)C1 ZINC000046156490 822445575 /nfs/dbraw/zinc/44/55/75/822445575.db2.gz RXQCVPPUADJVQC-QGZVFWFLSA-N 1 0 393.487 4.127 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1)c1cccs1 ZINC000454263101 822445803 /nfs/dbraw/zinc/44/58/03/822445803.db2.gz AFRUQCKTQJUUBR-XHSDSOJGSA-N 1 0 393.350 4.033 20 0 GIADRO Cc1ccccc1[C@@H](CC(C)C)[NH2+]CC(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000183237396 822446397 /nfs/dbraw/zinc/44/63/97/822446397.db2.gz PUOGDPWTHMJBOC-OAQYLSRUSA-N 1 0 381.520 4.012 20 0 GIADRO CC[C@H](NC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C)c1c(C)noc1C ZINC000179165701 822446492 /nfs/dbraw/zinc/44/64/92/822446492.db2.gz ZQAGGWAHJJOXCS-IBGZPJMESA-N 1 0 399.539 4.015 20 0 GIADRO COc1cc(Br)c(CN(C)C[C@H](C)c2nccs2)c(OC)c1 ZINC000183250112 822448349 /nfs/dbraw/zinc/44/83/49/822448349.db2.gz FPAGZBFAKAGTBO-NSHDSACASA-N 1 0 385.327 4.158 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CC2(CCCC2)[C@@H]1C(C)C ZINC000454276682 822448765 /nfs/dbraw/zinc/44/87/65/822448765.db2.gz MYRCMHGFGDZPLX-NRFANRHFSA-N 1 0 384.568 4.179 20 0 GIADRO C[C@@H](CNC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)c1nccs1 ZINC000183257259 822449191 /nfs/dbraw/zinc/44/91/91/822449191.db2.gz KTSXVCTVDSOBGA-KRWDZBQOSA-N 1 0 386.565 4.122 20 0 GIADRO C[C@H](NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1cccc(N2CCCC2)c1 ZINC000179195708 822449203 /nfs/dbraw/zinc/44/92/03/822449203.db2.gz JHZFNZZRQQBEKD-OFAXGOBFSA-N 1 0 392.547 4.092 20 0 GIADRO C[C@H](N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1cccc(F)c1F ZINC000183258679 822449478 /nfs/dbraw/zinc/44/94/78/822449478.db2.gz FZHXHYNAOYTSNL-GJZGRUSLSA-N 1 0 377.454 4.268 20 0 GIADRO Brc1cccc2c1CC[C@@H]2[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000179207435 822451168 /nfs/dbraw/zinc/45/11/68/822451168.db2.gz HTYHXCWMCWVDEE-FQEVSTJZSA-N 1 0 386.337 4.086 20 0 GIADRO Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000183269719 822451169 /nfs/dbraw/zinc/45/11/69/822451169.db2.gz HUJYSJPXBZPOMY-OAQYLSRUSA-N 1 0 395.551 4.059 20 0 GIADRO CCCOc1c(Cl)cc(C(=O)Nc2ccc(OCC[NH3+])cc2)cc1OCC ZINC000183275955 822452471 /nfs/dbraw/zinc/45/24/71/822452471.db2.gz FWVGLHDRGGRQQR-UHFFFAOYSA-N 1 0 392.883 4.117 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@@H](C(F)(F)F)C[C@H]2C)c1 ZINC000454297123 822453703 /nfs/dbraw/zinc/45/37/03/822453703.db2.gz NJIXPQHJOZHPOX-CRAIPNDOSA-N 1 0 385.474 4.401 20 0 GIADRO C[C@H]([NH2+]C[C@H]1CCCN1Cc1ccccc1)c1ncc(Br)s1 ZINC000179230715 822454171 /nfs/dbraw/zinc/45/41/71/822454171.db2.gz PXFWEZJRFUAWDU-DZGCQCFKSA-N 1 0 380.355 4.221 20 0 GIADRO C[C@@H]([NH2+]C[C@H]1CCCN1Cc1ccccc1)c1ncc(Br)s1 ZINC000179230726 822454211 /nfs/dbraw/zinc/45/42/11/822454211.db2.gz PXFWEZJRFUAWDU-UKRRQHHQSA-N 1 0 380.355 4.221 20 0 GIADRO C[C@@H](NCC[C@@H](C)[N@H+](C)Cc1ccccc1)c1ncc(Br)s1 ZINC000179236646 822455489 /nfs/dbraw/zinc/45/54/89/822455489.db2.gz WWOZPSUZJFFYML-ZIAGYGMSSA-N 1 0 382.371 4.467 20 0 GIADRO CCc1noc(C)c1CNC(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000454307569 822455560 /nfs/dbraw/zinc/45/55/60/822455560.db2.gz APZAIGLFVHNHHU-IRXDYDNUSA-N 1 0 398.551 4.023 20 0 GIADRO C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N(C)c1ccccc1)c1cccc(CO)c1 ZINC000183302407 822455625 /nfs/dbraw/zinc/45/56/25/822455625.db2.gz LJKFISRMYXJCDU-CYFREDJKSA-N 1 0 388.511 4.104 20 0 GIADRO 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 822458209 /nfs/dbraw/zinc/45/82/09/822458209.db2.gz OGXDZQKBBHFVGX-YVSFHVDLSA-N 1 0 377.495 4.117 20 0 GIADRO C[C@H](c1nc2ccccc2s1)N(C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179262408 822458613 /nfs/dbraw/zinc/45/86/13/822458613.db2.gz DEBMVFMDPZZCDC-XFQXTVEOSA-N 1 0 394.544 4.444 20 0 GIADRO C[C@@H]([NH2+]CCOc1c(Cl)cc(Br)cc1Cl)[C@@H]1CCOC1 ZINC000183330534 822459718 /nfs/dbraw/zinc/45/97/18/822459718.db2.gz SILGDCMFJQTQPR-NXEZZACHSA-N 1 0 383.113 4.149 20 0 GIADRO C[C@@H]([NH2+]CCOc1c(Cl)cc(Br)cc1Cl)c1cnn(C)c1 ZINC000183330775 822459790 /nfs/dbraw/zinc/45/97/90/822459790.db2.gz NSMOTVAUCBOGTB-SECBINFHSA-N 1 0 393.112 4.219 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@H]2CCN(c3ccc(Cl)cc3)C2)cc(OC)c1OC ZINC000183333860 822460228 /nfs/dbraw/zinc/46/02/28/822460228.db2.gz JJRRFEXTOKBWCZ-PBHICJAKSA-N 1 0 390.911 4.295 20 0 GIADRO CC(C)[NH+]1CCC(NC(=O)[C@H]2CC=CC[C@@H]2c2nc3ccccc3s2)CC1 ZINC000046319929 822461111 /nfs/dbraw/zinc/46/11/11/822461111.db2.gz NJYMEEORZQGKSL-ROUUACIJSA-N 1 0 383.561 4.335 20 0 GIADRO C[NH+](C)CCCC1CCN(C(=O)NCCc2ccc(C(F)(F)F)cc2)CC1 ZINC000179288254 822461201 /nfs/dbraw/zinc/46/12/01/822461201.db2.gz JNDSQDSZBHJNGF-UHFFFAOYSA-N 1 0 385.474 4.011 20 0 GIADRO C[C@H]([NH2+][C@@H](C)[C@@H](C)c1ccccc1)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000183343902 822461472 /nfs/dbraw/zinc/46/14/72/822461472.db2.gz KAMPFMWASGOKFL-IKGGRYGDSA-N 1 0 381.545 4.425 20 0 GIADRO COc1cc(-c2noc(C[NH2+][C@H](C)[C@H](C)c3ccccc3)n2)cc(OC)c1OC ZINC000183343144 822461518 /nfs/dbraw/zinc/46/15/18/822461518.db2.gz MPBMDEKUWKHONI-LSDHHAIUSA-N 1 0 397.475 4.044 20 0 GIADRO CC1(C)CN(C(=O)NCc2ccoc2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000454365007 822462604 /nfs/dbraw/zinc/46/26/04/822462604.db2.gz ABACYTCAABJGML-NRFANRHFSA-N 1 0 381.520 4.112 20 0 GIADRO C[C@@H](CNC(=O)N(Cc1ccco1)Cc1cccs1)[N@@H+]1CCCC[C@@H]1C ZINC000046339022 822462729 /nfs/dbraw/zinc/46/27/29/822462729.db2.gz OROKYYUTKQSYQE-IRXDYDNUSA-N 1 0 375.538 4.316 20 0 GIADRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000454368279 822463507 /nfs/dbraw/zinc/46/35/07/822463507.db2.gz FXEABWIDNLSMLQ-JOCHJYFZSA-N 1 0 393.531 4.428 20 0 GIADRO C[C@@H]([NH2+]Cc1nnc(-c2ccc(Br)o2)o1)[C@H](C)c1ccccc1 ZINC000183371542 822464971 /nfs/dbraw/zinc/46/49/71/822464971.db2.gz PZIRWYAKAYNTGZ-NWDGAFQWSA-N 1 0 376.254 4.374 20 0 GIADRO CCc1nocc1CN(C)C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000454377731 822465187 /nfs/dbraw/zinc/46/51/87/822465187.db2.gz VZHALUKKXQLRRX-UHFFFAOYSA-N 1 0 398.551 4.343 20 0 GIADRO COc1ccc(NC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)cc1Cc1ccccc1 ZINC000454377755 822465211 /nfs/dbraw/zinc/46/52/11/822465211.db2.gz WCIYRLUAXAVUQQ-XMMPIXPASA-N 1 0 393.531 4.236 20 0 GIADRO COC[C@H]([NH2+]Cc1ccc(COC2CCOCC2)cc1)c1ccc(F)c(F)c1 ZINC000183376483 822465744 /nfs/dbraw/zinc/46/57/44/822465744.db2.gz VKGBYJBYCZQOQK-QFIPXVFZSA-N 1 0 391.458 4.138 20 0 GIADRO CCC(CC)C(=O)N1CCC([NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)CC1 ZINC000183375992 822465796 /nfs/dbraw/zinc/46/57/96/822465796.db2.gz LUTQHUDNJBEFFH-QFIPXVFZSA-N 1 0 383.511 4.327 20 0 GIADRO COCC[N@H+](C)CCCC1CCN(C(=O)C[C@@H]2CCCc3ccccc32)CC1 ZINC000179325321 822466309 /nfs/dbraw/zinc/46/63/09/822466309.db2.gz JSBZLVRRMNTYEV-QFIPXVFZSA-N 1 0 386.580 4.094 20 0 GIADRO COCC[N@H+](C)CCCC1CCN(C(=O)c2cc3cc(F)ccc3s2)CC1 ZINC000179327140 822466553 /nfs/dbraw/zinc/46/65/53/822466553.db2.gz KWVATZPNZWFZJE-UHFFFAOYSA-N 1 0 392.540 4.251 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1csc(Br)c1 ZINC000046375833 822467196 /nfs/dbraw/zinc/46/71/96/822467196.db2.gz SEKIJKSNZGKCSL-UHFFFAOYSA-N 1 0 379.323 4.036 20 0 GIADRO O=C(CC[N@H+]1CC[C@H](Oc2cccc(F)c2)C1)Nc1ccccc1C(F)(F)F ZINC000183391430 822467630 /nfs/dbraw/zinc/46/76/30/822467630.db2.gz BTALGWOGTXBIIR-INIZCTEOSA-N 1 0 396.384 4.326 20 0 GIADRO CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000179347123 822468878 /nfs/dbraw/zinc/46/88/78/822468878.db2.gz NYBGQCMUQPPLGC-LJQANCHMSA-N 1 0 397.519 4.150 20 0 GIADRO Cc1c([C@@H](C)[NH2+]CC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)cnn1C ZINC000183409626 822470112 /nfs/dbraw/zinc/47/01/12/822470112.db2.gz AHZMTQRXKVDPDZ-IERDGZPVSA-N 1 0 382.552 4.040 20 0 GIADRO C[NH+](C)C1CCN(C(=O)Nc2ccc(N3CCCCCCC3)c(F)c2)CC1 ZINC000183413647 822470936 /nfs/dbraw/zinc/47/09/36/822470936.db2.gz UFWLMWBEGJBKNC-UHFFFAOYSA-N 1 0 376.520 4.154 20 0 GIADRO O=C(Nc1ccc(F)cc1)C1CC[NH+](Cc2cnc(-c3ccccc3)[nH]2)CC1 ZINC000179364120 822471802 /nfs/dbraw/zinc/47/18/02/822471802.db2.gz FYYGAGVEOHTCDE-UHFFFAOYSA-N 1 0 378.451 4.067 20 0 GIADRO CCCC(=O)Nc1ccc(C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000183423768 822472610 /nfs/dbraw/zinc/47/26/10/822472610.db2.gz ALHKRHXOHDHBIQ-SFHVURJKSA-N 1 0 389.540 4.304 20 0 GIADRO Cc1cc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc(N3CCCC3=O)c2)c(C)s1 ZINC000179371980 822472835 /nfs/dbraw/zinc/47/28/35/822472835.db2.gz YMMAROBAQWUQOH-CABCVRRESA-N 1 0 385.533 4.170 20 0 GIADRO Cc1cc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(N3CCCC3=O)c2)c(C)s1 ZINC000179372000 822472849 /nfs/dbraw/zinc/47/28/49/822472849.db2.gz YMMAROBAQWUQOH-HUUCEWRRSA-N 1 0 385.533 4.170 20 0 GIADRO CCCC(=O)Nc1cccc(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000183425337 822473023 /nfs/dbraw/zinc/47/30/23/822473023.db2.gz YCKSEXGKZGKKNP-GOSISDBHSA-N 1 0 389.540 4.304 20 0 GIADRO COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1cc(C)sc1C ZINC000179374361 822473049 /nfs/dbraw/zinc/47/30/49/822473049.db2.gz ITUYHQLAWPBGCM-STQMWFEESA-N 1 0 389.521 4.010 20 0 GIADRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)c1cc(F)cc2cccnc21 ZINC000179378426 822473808 /nfs/dbraw/zinc/47/38/08/822473808.db2.gz DPBISHBIYLYBIN-UHFFFAOYSA-N 1 0 377.463 4.016 20 0 GIADRO COc1ccc(NC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)c(C)c1 ZINC000179379064 822473817 /nfs/dbraw/zinc/47/38/17/822473817.db2.gz INOOQUDZUMKTKR-UHFFFAOYSA-N 1 0 382.508 4.169 20 0 GIADRO COc1cc(F)c([C@H](C)[NH2+]C[C@H](O)COc2ccccc2C(C)C)cc1OC ZINC000183434583 822474475 /nfs/dbraw/zinc/47/44/75/822474475.db2.gz BLQSYFRFKVYEDH-HOTGVXAUSA-N 1 0 391.483 4.057 20 0 GIADRO CC(C)n1ncc2ccc(NC(=O)N[C@@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)cc21 ZINC000183447748 822476367 /nfs/dbraw/zinc/47/63/67/822476367.db2.gz INEFYLVTTAOAFK-FUHWJXTLSA-N 1 0 383.540 4.392 20 0 GIADRO CC(C)n1ncc2ccc(NC(=O)N[C@@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)cc21 ZINC000183447788 822476541 /nfs/dbraw/zinc/47/65/41/822476541.db2.gz INEFYLVTTAOAFK-WMZOPIPTSA-N 1 0 383.540 4.392 20 0 GIADRO Cc1cc2ncc([C@@H](C)[NH2+]Cc3ccccc3OCC(F)(F)F)c(C)n2n1 ZINC000179402987 822477789 /nfs/dbraw/zinc/47/77/89/822477789.db2.gz PPOWASNNYKPEKG-CYBMUJFWSA-N 1 0 378.398 4.138 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1cc2c(cc1Br)OCCO2)c1ccccc1O ZINC000183458075 822477989 /nfs/dbraw/zinc/47/79/89/822477989.db2.gz RYMQVQDRYOKPAO-NEPJUHHUSA-N 1 0 378.266 4.338 20 0 GIADRO Cc1cc2ncc([C@H](C)[NH2+]CC3(c4cccc(Cl)c4)CCOCC3)c(C)n2n1 ZINC000179405097 822478033 /nfs/dbraw/zinc/47/80/33/822478033.db2.gz IWCUPQKMZAJAEV-INIZCTEOSA-N 1 0 398.938 4.399 20 0 GIADRO CSCCc1ccc(NC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000183459081 822478162 /nfs/dbraw/zinc/47/81/62/822478162.db2.gz CQHRGGQUUKPSTD-AEFFLSMTSA-N 1 0 375.582 4.367 20 0 GIADRO CC[C@H]([NH2+]Cc1cccc(C(=O)NC[C@@H]2CCCO2)c1)c1cc(C)ccc1OC ZINC000179408160 822478450 /nfs/dbraw/zinc/47/84/50/822478450.db2.gz BRLBZHRSLSMXOL-UNMCSNQZSA-N 1 0 396.531 4.153 20 0 GIADRO CC[C@H]([NH2+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1)c1cc(C)ccc1OC ZINC000179407240 822478456 /nfs/dbraw/zinc/47/84/56/822478456.db2.gz QYUKVQVEMYCGBX-RBBKRZOGSA-N 1 0 382.504 4.362 20 0 GIADRO Cc1cc2ncc([C@@H](C)[NH2+]CCc3cc(Br)ccc3F)c(C)n2n1 ZINC000179408802 822478672 /nfs/dbraw/zinc/47/86/72/822478672.db2.gz QYOLNOZOJHBIHZ-GFCCVEGCSA-N 1 0 391.288 4.141 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2Oc2ccccc2)cnn1C ZINC000183462849 822478791 /nfs/dbraw/zinc/47/87/91/822478791.db2.gz AGVNIZRJJBPFOB-JKSUJKDBSA-N 1 0 378.476 4.199 20 0 GIADRO Cc1ccc(NC(=O)C(C)C)cc1NC(=O)N[C@@H](CC(C)C)C[NH+]1CCCC1 ZINC000454462728 822479265 /nfs/dbraw/zinc/47/92/65/822479265.db2.gz LTEKVLGWFFKTPP-IBGZPJMESA-N 1 0 388.556 4.222 20 0 GIADRO Cc1cc2ncc([C@H](C)[NH2+][C@@H](C)c3cnn(-c4ccc(F)cc4)c3C)c(C)n2n1 ZINC000179415376 822479537 /nfs/dbraw/zinc/47/95/37/822479537.db2.gz SEKINNROCXFATM-GJZGRUSLSA-N 1 0 392.482 4.391 20 0 GIADRO CCC[C@@H]1C[C@@H](C(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)CCO1 ZINC000183468552 822479582 /nfs/dbraw/zinc/47/95/82/822479582.db2.gz BGPGGLJQGCRPEF-RBBKRZOGSA-N 1 0 380.532 4.079 20 0 GIADRO CCN(CC)[C@H](C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1ccco1 ZINC000183468539 822479589 /nfs/dbraw/zinc/47/95/89/822479589.db2.gz XYSVREOKHYBBQI-QZTJIDSGSA-N 1 0 379.545 4.042 20 0 GIADRO CCOc1cc(CCC[NH2+][C@H](C)c2cnc3cc(C)nn3c2C)ccc1OC ZINC000179432859 822481769 /nfs/dbraw/zinc/48/17/69/822481769.db2.gz QDZABGDDJNMSLP-MRXNPFEDSA-N 1 0 382.508 4.037 20 0 GIADRO COc1cc(F)c([C@H](C)[NH2+]Cc2cc(Cl)cc(C(C)=O)c2O)cc1OC ZINC000183478332 822481892 /nfs/dbraw/zinc/48/18/92/822481892.db2.gz QKTFVWORVCESIO-JTQLQIEISA-N 1 0 381.831 4.255 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc2ccn(CCOC)c2c1)c1ccco1 ZINC000179435524 822482285 /nfs/dbraw/zinc/48/22/85/822482285.db2.gz WMSATCGQDMTYBW-HXUWFJFHSA-N 1 0 398.507 4.085 20 0 GIADRO C[C@H](NC(=O)Nc1cc(Br)ccc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183480029 822482617 /nfs/dbraw/zinc/48/26/17/822482617.db2.gz DDPSFUQYZGIBBE-STQMWFEESA-N 1 0 398.320 4.363 20 0 GIADRO C[C@H]([NH2+]C1CCN(Cc2ccc(Br)cc2)CC1)c1nccs1 ZINC000179451402 822485206 /nfs/dbraw/zinc/48/52/06/822485206.db2.gz JJCTVHGPRDHAFS-ZDUSSCGKSA-N 1 0 380.355 4.221 20 0 GIADRO COc1ccc(C[C@H](C)[NH2+]CCc2coc(-c3ccc(F)cc3)n2)cc1OC ZINC000179456822 822485865 /nfs/dbraw/zinc/48/58/65/822485865.db2.gz FMPJRRIVCVACLK-HNNXBMFYSA-N 1 0 384.451 4.261 20 0 GIADRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)Nc1cc(NC(=O)c2ccccc2)ccc1C ZINC000454501244 822485872 /nfs/dbraw/zinc/48/58/72/822485872.db2.gz XPTVFFLXIFPAHD-HXUWFJFHSA-N 1 0 394.519 4.195 20 0 GIADRO CCOCc1cc(C[N@H+](C)C2CCN(Cc3ccccc3)CC2)ccc1OC ZINC000179460842 822486105 /nfs/dbraw/zinc/48/61/05/822486105.db2.gz AVRBZGRJSFSGNK-UHFFFAOYSA-N 1 0 382.548 4.328 20 0 GIADRO CCc1nn(C)c(OC)c1C[NH2+][C@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000179466429 822486835 /nfs/dbraw/zinc/48/68/35/822486835.db2.gz CTSMFJOXNVSUBA-GFCCVEGCSA-N 1 0 387.471 4.496 20 0 GIADRO CO[C@@](C)(CNC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1)c1ccccc1 ZINC000454512696 822488145 /nfs/dbraw/zinc/48/81/45/822488145.db2.gz HTDOIDKPAHNVOZ-DVECYGJZSA-N 1 0 395.547 4.073 20 0 GIADRO COCCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)c2nc(-c3ccccc3)no2)cc1 ZINC000179478187 822488358 /nfs/dbraw/zinc/48/83/58/822488358.db2.gz GOGUNKKSMGBIGK-IAGOWNOFSA-N 1 0 381.476 4.216 20 0 GIADRO C[C@@H](C[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1)c1nc(-c2ccccc2)no1 ZINC000179478453 822488378 /nfs/dbraw/zinc/48/83/78/822488378.db2.gz FTVUPNDVDVJZOE-IRXDYDNUSA-N 1 0 390.487 4.318 20 0 GIADRO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc3oc(C4CC4)nc3c2)[C@@H]1c1ccccc1 ZINC000179478938 822488549 /nfs/dbraw/zinc/48/85/49/822488549.db2.gz IMWSUJVYGAXJSR-PXNSSMCTSA-N 1 0 376.460 4.272 20 0 GIADRO Cc1c([C@@H](C)[NH2+]C[C@@H](C)c2nc(-c3ccccc3)no2)cnn1-c1ccccn1 ZINC000179479705 822488764 /nfs/dbraw/zinc/48/87/64/822488764.db2.gz NJSJUXBALRNIHU-HZPDHXFCSA-N 1 0 388.475 4.080 20 0 GIADRO C[C@H](NC(=O)Nc1cc(F)ccc1OC(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183520313 822489289 /nfs/dbraw/zinc/48/92/89/822489289.db2.gz CUSKHFHWSBGFQA-STQMWFEESA-N 1 0 385.430 4.202 20 0 GIADRO Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000046593636 822489487 /nfs/dbraw/zinc/48/94/87/822489487.db2.gz LTOHMKODIPZFGX-GJZGRUSLSA-N 1 0 379.570 4.034 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCC[C@@]3(CCSC3)C2)CC1 ZINC000454519021 822489951 /nfs/dbraw/zinc/48/99/51/822489951.db2.gz OBKKMTGJJFKFBV-XMSQKQJNSA-N 1 0 387.593 4.141 20 0 GIADRO COc1ccccc1N1CC[C@@H](C[NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)C1 ZINC000183532305 822490927 /nfs/dbraw/zinc/49/09/27/822490927.db2.gz GJNZPNYSQGXIBZ-UUOWRZLLSA-N 1 0 391.490 4.435 20 0 GIADRO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1Br ZINC000179495517 822490881 /nfs/dbraw/zinc/49/08/81/822490881.db2.gz IHPDPRFYUIYWIF-WBVHZDCISA-N 1 0 387.321 4.148 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(COc3ccccc3)cc2)[C@H](C)C1 ZINC000179497602 822491426 /nfs/dbraw/zinc/49/14/26/822491426.db2.gz WQTMNNFIHZEWGO-GCJKJVERSA-N 1 0 381.520 4.460 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@H]2CCCCC2(F)F)CC1 ZINC000454534067 822492615 /nfs/dbraw/zinc/49/26/15/822492615.db2.gz ZYKNSLKTOQKESF-FUHWJXTLSA-N 1 0 379.495 4.337 20 0 GIADRO O=C(C[NH2+]C1(c2ccccc2)CCCC1)N[C@@H](c1nccs1)c1ccccc1 ZINC000183550199 822493579 /nfs/dbraw/zinc/49/35/79/822493579.db2.gz QIMZZZJQPVVZIA-OAQYLSRUSA-N 1 0 391.540 4.408 20 0 GIADRO c1ccc(Oc2cccnc2)c(C[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c1 ZINC000179513089 822494088 /nfs/dbraw/zinc/49/40/88/822494088.db2.gz KAVJUHAPTZLUOU-SFHVURJKSA-N 1 0 375.476 4.249 20 0 GIADRO COc1ccccc1OC[C@H](C)C[NH2+][C@H](C)c1ncc(Br)s1 ZINC000179512849 822494164 /nfs/dbraw/zinc/49/41/64/822494164.db2.gz AWRBUGZUFNSIPO-VXGBXAGGSA-N 1 0 385.327 4.280 20 0 GIADRO COc1ccccc1OC[C@@H](C)C[NH2+][C@H](C)c1ncc(Br)s1 ZINC000179512841 822494179 /nfs/dbraw/zinc/49/41/79/822494179.db2.gz AWRBUGZUFNSIPO-NWDGAFQWSA-N 1 0 385.327 4.280 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1ccccc1-n1cccn1 ZINC000183559764 822494647 /nfs/dbraw/zinc/49/46/47/822494647.db2.gz ZJTBGHXDDWBUGG-ZWKOTPCHSA-N 1 0 384.524 4.313 20 0 GIADRO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000179517293 822495283 /nfs/dbraw/zinc/49/52/83/822495283.db2.gz TUNWITBTGJBWOZ-KGLIPLIRSA-N 1 0 375.394 4.155 20 0 GIADRO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000179517489 822495368 /nfs/dbraw/zinc/49/53/68/822495368.db2.gz RMSHUXPYEQCNLJ-ZIAGYGMSSA-N 1 0 391.393 4.034 20 0 GIADRO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000179517751 822495512 /nfs/dbraw/zinc/49/55/12/822495512.db2.gz JGFGUIGTPKBYDH-KZULUSFZSA-N 1 0 388.298 4.369 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+][C@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)s1 ZINC000179524153 822496702 /nfs/dbraw/zinc/49/67/02/822496702.db2.gz FSQANUMWUMXKOG-OYYNGEPBSA-N 1 0 395.519 4.015 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+][C@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)s1 ZINC000179524142 822496796 /nfs/dbraw/zinc/49/67/96/822496796.db2.gz FSQANUMWUMXKOG-JLBUNGTFSA-N 1 0 395.519 4.015 20 0 GIADRO COc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000046642462 822497044 /nfs/dbraw/zinc/49/70/44/822497044.db2.gz WGZDBJPRNDRVGJ-UHFFFAOYSA-N 1 0 392.421 4.062 20 0 GIADRO CC(C)Oc1ccc([C@H](C)[NH2+]CC(=O)NCc2ccc(OC(F)F)cc2)cc1 ZINC000179526603 822497069 /nfs/dbraw/zinc/49/70/69/822497069.db2.gz JRIICIILCCBERD-HNNXBMFYSA-N 1 0 392.446 4.042 20 0 GIADRO COC(=O)c1cc2cc(C[NH2+][C@@H](C)c3cccc(-n4cccn4)c3)ccc2o1 ZINC000183594251 822498735 /nfs/dbraw/zinc/49/87/35/822498735.db2.gz FVSPKIBPRPCVMP-HNNXBMFYSA-N 1 0 375.428 4.256 20 0 GIADRO COC[C@H](O)CC[NH2+][C@H](C)c1ccc(-c2ccccc2Br)s1 ZINC000179537713 822499706 /nfs/dbraw/zinc/49/97/06/822499706.db2.gz ZWWKVZHBNJIOTJ-CHWSQXEVSA-N 1 0 384.339 4.226 20 0 GIADRO Cc1nc(C(F)(F)F)c(CN(C)C2CC[NH+](CCc3ccccn3)CC2)s1 ZINC000183603651 822500130 /nfs/dbraw/zinc/50/01/30/822500130.db2.gz XSUZROLSFWZDBF-UHFFFAOYSA-N 1 0 398.498 4.004 20 0 GIADRO CC(C)[C@H]([NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1nc(C2CC2)no1 ZINC000183604897 822500151 /nfs/dbraw/zinc/50/01/51/822500151.db2.gz OKUPPAGSWUCFIG-CVEARBPZSA-N 1 0 378.517 4.023 20 0 GIADRO Cc1ccc(NC(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c(C)n1 ZINC000179546343 822500864 /nfs/dbraw/zinc/50/08/64/822500864.db2.gz ATYLCBIVMRGEPY-DNVCBOLYSA-N 1 0 390.890 4.305 20 0 GIADRO CCn1nc(C)c(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1C ZINC000179546011 822500915 /nfs/dbraw/zinc/50/09/15/822500915.db2.gz RHSLIKCURXAVCQ-SFTDATJTSA-N 1 0 395.551 4.038 20 0 GIADRO Cc1nc2c(s1)[C@H]([NH2+][C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1)CCC2 ZINC000179555175 822502808 /nfs/dbraw/zinc/50/28/08/822502808.db2.gz MAIRJMRVKGLRSE-QYZOEREBSA-N 1 0 391.968 4.144 20 0 GIADRO O=C1CCCN1C[C@@H]([NH2+]Cc1ccc(Cl)c2cccnc12)c1ccccc1 ZINC000179556333 822503040 /nfs/dbraw/zinc/50/30/40/822503040.db2.gz JTWYBTMNTSYXTA-HXUWFJFHSA-N 1 0 379.891 4.342 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)CCc1ccc2[nH]ccc2c1)[NH+]1CCCC1 ZINC000179568518 822505008 /nfs/dbraw/zinc/50/50/08/822505008.db2.gz ARRFGZLJQXXMGU-JOCHJYFZSA-N 1 0 391.515 4.062 20 0 GIADRO O=C(N[C@@H](CC1CCC1)c1ccccc1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000183642581 822505412 /nfs/dbraw/zinc/50/54/12/822505412.db2.gz RVACNBJESRRZBW-QHCPKHFHSA-N 1 0 399.579 4.204 20 0 GIADRO CC(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc(OC(F)F)c2)c1 ZINC000179574792 822505921 /nfs/dbraw/zinc/50/59/21/822505921.db2.gz BXWZMZSYTRNFCX-QWHCGFSZSA-N 1 0 376.403 4.168 20 0 GIADRO Cc1nc(C(F)(F)F)c(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)s1 ZINC000183645997 822505897 /nfs/dbraw/zinc/50/58/97/822505897.db2.gz WVIPOCSYUNUHGB-MRXNPFEDSA-N 1 0 384.423 4.482 20 0 GIADRO COc1ccc(NC(=O)C[NH2+][C@H](C)c2cccc(OC(F)F)c2)cc1Cl ZINC000179578569 822506382 /nfs/dbraw/zinc/50/63/82/822506382.db2.gz UHSMWPSKGZZEOO-LLVKDONJSA-N 1 0 384.810 4.239 20 0 GIADRO Cc1cc(NC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)nn1-c1cccc(F)c1 ZINC000183656995 822506686 /nfs/dbraw/zinc/50/66/86/822506686.db2.gz KAHQWBSMZQCWKB-SJORKVTESA-N 1 0 399.514 4.094 20 0 GIADRO CC(=O)c1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cccc(OC(F)F)c2)cc1 ZINC000179585952 822507301 /nfs/dbraw/zinc/50/73/01/822507301.db2.gz JEBGJYUUGUFDAH-CHWSQXEVSA-N 1 0 376.403 4.168 20 0 GIADRO Cc1c(C(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)cnn1C1CCOCC1 ZINC000179592160 822508713 /nfs/dbraw/zinc/50/87/13/822508713.db2.gz GWOFXMODVJGAQY-UHFFFAOYSA-N 1 0 396.535 4.171 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)[NH2+]C[C@@H](O)COCc2ccc(Cl)cc2)cc1 ZINC000183672171 822508934 /nfs/dbraw/zinc/50/89/34/822508934.db2.gz DDSFQDGASXQDDN-KSFYIVLOSA-N 1 0 399.922 4.062 20 0 GIADRO CCOc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000179593495 822509005 /nfs/dbraw/zinc/50/90/05/822509005.db2.gz COMQWKZCZRVITL-KBPBESRZSA-N 1 0 378.419 4.365 20 0 GIADRO CC(C)c1cnc(C[NH2+]CCC(=O)Nc2ccc(Br)cc2)s1 ZINC000183673023 822509177 /nfs/dbraw/zinc/50/91/77/822509177.db2.gz XFRZAAFDQBVLRI-UHFFFAOYSA-N 1 0 382.327 4.147 20 0 GIADRO CC(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(-n3ccnc3C)cc2)c1 ZINC000183673139 822509220 /nfs/dbraw/zinc/50/92/20/822509220.db2.gz HAYVGXDYZPYXRW-JKSUJKDBSA-N 1 0 390.487 4.061 20 0 GIADRO COc1cc(F)cc(C[NH2+][C@@H](C)CC(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000179595749 822509378 /nfs/dbraw/zinc/50/93/78/822509378.db2.gz SBXZVOSRSUWLGU-LBPRGKRZSA-N 1 0 384.373 4.360 20 0 GIADRO CN(Cc1ccccc1)c1ccccc1NC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000454631381 822509534 /nfs/dbraw/zinc/50/95/34/822509534.db2.gz NHUVRPISLOPWPN-UHFFFAOYSA-N 1 0 392.547 4.461 20 0 GIADRO Cc1nc(Cc2ccccc2)sc1C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000046723059 822509715 /nfs/dbraw/zinc/50/97/15/822509715.db2.gz OGCAJNODYISLPF-UHFFFAOYSA-N 1 0 395.528 4.235 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)COc2ccccc2-c2ccccc2)cc1 ZINC000046723268 822509778 /nfs/dbraw/zinc/50/97/78/822509778.db2.gz JMILKAOCLHAJEW-UHFFFAOYSA-N 1 0 390.483 4.312 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]CC(=O)Nc2c(C)cccc2Cl)cc1 ZINC000183678849 822510038 /nfs/dbraw/zinc/51/00/38/822510038.db2.gz YXQOGEVXBQEXHY-OAHLLOKOSA-N 1 0 382.895 4.432 20 0 GIADRO CSc1ccc(CN(C)C(=O)C[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)cc1 ZINC000179599436 822510070 /nfs/dbraw/zinc/51/00/70/822510070.db2.gz PLGRWOAOGZEKOQ-AWEZNQCLSA-N 1 0 394.487 4.319 20 0 GIADRO COCc1cc([C@H](C)[NH2+][C@H](CC(C)C)C(=O)Nc2nccs2)ccc1OC ZINC000179601101 822510517 /nfs/dbraw/zinc/51/05/17/822510517.db2.gz LHXVQRADVLYTBZ-WMLDXEAASA-N 1 0 391.537 4.002 20 0 GIADRO Brc1ccc([C@H]([NH2+]CCCOC[C@H]2CCCO2)c2ccco2)cc1 ZINC000183681479 822510541 /nfs/dbraw/zinc/51/05/41/822510541.db2.gz RBJQRUDLHUDUHZ-MJGOQNOKSA-N 1 0 394.309 4.307 20 0 GIADRO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000179602037 822510737 /nfs/dbraw/zinc/51/07/37/822510737.db2.gz OPSPDBRYWMTOEE-UONOGXRCSA-N 1 0 380.410 4.297 20 0 GIADRO CC(C)c1cnc(C[NH2+][C@@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)s1 ZINC000183686539 822511129 /nfs/dbraw/zinc/51/11/29/822511129.db2.gz BGBMTPWGODTCCH-INIZCTEOSA-N 1 0 386.565 4.374 20 0 GIADRO C[N@H+](Cc1cnc(-c2ccccc2)[nH]1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000179604877 822511326 /nfs/dbraw/zinc/51/13/26/822511326.db2.gz VALGWYSEQYJESH-YOFSQIOKSA-N 1 0 396.535 4.439 20 0 GIADRO Cc1ccc2[nH]c3c(c2c1)CN(C(=O)NCCCC[NH+]1CCC(C)CC1)CC3 ZINC000046736379 822511399 /nfs/dbraw/zinc/51/13/99/822511399.db2.gz XLCHXSDOCJADRA-UHFFFAOYSA-N 1 0 382.552 4.056 20 0 GIADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1cc2sc3ccccc3c2s1 ZINC000179605667 822511408 /nfs/dbraw/zinc/51/14/08/822511408.db2.gz IACURIFHGHNEPK-AWEZNQCLSA-N 1 0 388.558 4.083 20 0 GIADRO Cc1nn(-c2ccccc2)cc1NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000183688416 822511510 /nfs/dbraw/zinc/51/15/10/822511510.db2.gz QDPHKZISYXIUDP-UHFFFAOYSA-N 1 0 389.503 4.098 20 0 GIADRO CCc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000183688098 822511558 /nfs/dbraw/zinc/51/15/58/822511558.db2.gz AHWCOJPIYMNZJN-IRXDYDNUSA-N 1 0 376.504 4.421 20 0 GIADRO CCC[C@H]1C[C@@H](C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)CCO1 ZINC000183691109 822512345 /nfs/dbraw/zinc/51/23/45/822512345.db2.gz YCTQWJNSKDSNAQ-ICSRJNTNSA-N 1 0 392.971 4.264 20 0 GIADRO COC(=O)COc1ccccc1[C@H](C)[NH2+]C[C@H]1CCCO[C@@H]1c1ccc(C)cc1 ZINC000183691431 822512355 /nfs/dbraw/zinc/51/23/55/822512355.db2.gz BBYSYCVSUUDPPC-MFSJNOQSSA-N 1 0 397.515 4.365 20 0 GIADRO CCC[N@H+](CC(=O)Nc1ccc(F)c(F)c1F)Cc1ccc(COC)cc1 ZINC000179610551 822512437 /nfs/dbraw/zinc/51/24/37/822512437.db2.gz YJGBCEGWZLRQQL-UHFFFAOYSA-N 1 0 380.410 4.101 20 0 GIADRO COCCCOC1CC[NH+]([C@H]2CCCc3ccc(Br)cc32)CC1 ZINC000179613533 822512900 /nfs/dbraw/zinc/51/29/00/822512900.db2.gz XWRSWFCKJIMCGC-IBGZPJMESA-N 1 0 382.342 4.344 20 0 GIADRO CCN(C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)[C@H](C)c1cccc(OC)c1 ZINC000046751064 822512899 /nfs/dbraw/zinc/51/28/99/822512899.db2.gz GPLUHKCYUHHXKG-RBUKOAKNSA-N 1 0 375.557 4.442 20 0 GIADRO CCN(C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)[C@H](C)c1cccc(OC)c1 ZINC000046752280 822513064 /nfs/dbraw/zinc/51/30/64/822513064.db2.gz SSNKQJILCGFQCI-RBUKOAKNSA-N 1 0 375.557 4.300 20 0 GIADRO Cc1ccc2[nH]c3c(c2c1)CN(C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)CC3 ZINC000046751919 822513094 /nfs/dbraw/zinc/51/30/94/822513094.db2.gz WAUYENRDAVWMGS-GOSISDBHSA-N 1 0 382.552 4.056 20 0 GIADRO CC[C@@](C)(COc1ncccc1Cl)[NH2+]CC(=O)Nc1c(C)cccc1Cl ZINC000179626335 822515229 /nfs/dbraw/zinc/51/52/29/822515229.db2.gz DXOAILSYCHXXMV-IBGZPJMESA-N 1 0 396.318 4.473 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)Nc1cc(Cl)ccc1N1CCSCC1 ZINC000454672665 822515428 /nfs/dbraw/zinc/51/54/28/822515428.db2.gz UHXVNUOACJKVAD-UHFFFAOYSA-N 1 0 399.004 4.135 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(-c3ccc4c(c3)CCO4)c2)C1 ZINC000179631479 822516232 /nfs/dbraw/zinc/51/62/32/822516232.db2.gz NHCQWIUDZFQBIM-KRWDZBQOSA-N 1 0 379.504 4.094 20 0 GIADRO CCc1noc(C2CCC([NH2+]CCCC(=O)Nc3ccc(Cl)cc3)CC2)n1 ZINC000183720758 822516341 /nfs/dbraw/zinc/51/63/41/822516341.db2.gz ADAKSJFYCNMTNL-UHFFFAOYSA-N 1 0 390.915 4.320 20 0 GIADRO Cc1ccc(C(=O)C2CC[NH+](CCC(=O)Nc3ccccc3F)CC2)c(C)c1 ZINC000046780766 822516778 /nfs/dbraw/zinc/51/67/78/822516778.db2.gz NSRSZPRSEDMBFN-UHFFFAOYSA-N 1 0 382.479 4.366 20 0 GIADRO CCN(CC)C(=O)c1cccc(NC(=O)C[NH2+][C@@H](C)c2cccc(C)c2C)c1 ZINC000183726497 822517405 /nfs/dbraw/zinc/51/74/05/822517405.db2.gz XEUAQULZBCBOGY-SFHVURJKSA-N 1 0 381.520 4.075 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(-c3ccc4c(c3)CCO4)c2)C1 ZINC000179637897 822517650 /nfs/dbraw/zinc/51/76/50/822517650.db2.gz JZFAMUPHBUCYEX-GOSISDBHSA-N 1 0 393.531 4.484 20 0 GIADRO COc1cc(OC)c([C@H](C)[NH2+]Cc2ccc(N3CCOC3=O)cc2)cc1Cl ZINC000183736477 822519056 /nfs/dbraw/zinc/51/90/56/822519056.db2.gz IECGEGOHHNIULM-ZDUSSCGKSA-N 1 0 390.867 4.165 20 0 GIADRO CC(C)(C[NH2+]Cc1cn(Cc2cccnc2)nn1)c1c(Cl)cccc1Cl ZINC000183736445 822519071 /nfs/dbraw/zinc/51/90/71/822519071.db2.gz BEWNAMYQKIUDOH-UHFFFAOYSA-N 1 0 390.318 4.096 20 0 GIADRO Cc1cc(OCc2cccc(Cl)c2)ccc1NC(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000454698047 822519141 /nfs/dbraw/zinc/51/91/41/822519141.db2.gz KOPASPQSNTXIPE-UTKZUKDTSA-N 1 0 399.922 4.395 20 0 GIADRO Cc1c(NC(=O)NC(C)(C)CCC[NH+](C)C)cccc1OCC(F)(F)F ZINC000454701082 822519545 /nfs/dbraw/zinc/51/95/45/822519545.db2.gz FNDALVJZSLZIKJ-UHFFFAOYSA-N 1 0 375.435 4.178 20 0 GIADRO COc1ccc(CCC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)cc1F ZINC000046809858 822519743 /nfs/dbraw/zinc/51/97/43/822519743.db2.gz AOMGQPCANDGVEN-GOSISDBHSA-N 1 0 398.522 4.458 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(N2CCOC2=O)cc1)c1ccc(Br)s1 ZINC000183742612 822520556 /nfs/dbraw/zinc/52/05/56/822520556.db2.gz YMNXPTPRHSHUFZ-NSHDSACASA-N 1 0 381.295 4.318 20 0 GIADRO Cc1nn(-c2ccccc2)cc1NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000183742845 822520564 /nfs/dbraw/zinc/52/05/64/822520564.db2.gz KDUMCSKXIZWXAS-FQEVSTJZSA-N 1 0 393.491 4.122 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(N2CCOC2=O)cc1)c1ccc(Br)s1 ZINC000183742632 822520654 /nfs/dbraw/zinc/52/06/54/822520654.db2.gz YMNXPTPRHSHUFZ-LLVKDONJSA-N 1 0 381.295 4.318 20 0 GIADRO CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@H](C)c2ccccc2OCC(=O)OC)c1 ZINC000183744065 822520811 /nfs/dbraw/zinc/52/08/11/822520811.db2.gz RELIQPRBRKLIGC-DLBZAZTESA-N 1 0 398.503 4.074 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(Br)cc2C(F)(F)F)CC[N@@H+]1C ZINC000179674254 822524452 /nfs/dbraw/zinc/52/44/52/822524452.db2.gz CRZLATCSFBLTRI-PWSUYJOCSA-N 1 0 393.247 4.023 20 0 GIADRO COc1cccc([C@@H]2[C@@H](NC(=O)Nc3ccc(F)cc3C)CC[N@@H+]2C2CC2)c1 ZINC000183767780 822525500 /nfs/dbraw/zinc/52/55/00/822525500.db2.gz LINJMFAOGZWHBG-LEWJYISDSA-N 1 0 383.467 4.242 20 0 GIADRO Cc1cc2cc(NC(=O)N3CC[N@H+](Cc4ccccc4)C[C@@H](C)C3)ccc2[nH]1 ZINC000454737321 822525569 /nfs/dbraw/zinc/52/55/69/822525569.db2.gz TULDSTWUGUBATM-QGZVFWFLSA-N 1 0 376.504 4.462 20 0 GIADRO CCN(C(=O)C[NH2+][C@@H](C)c1cccc(OCc2ccccn2)c1)c1ccccc1 ZINC000179684915 822526802 /nfs/dbraw/zinc/52/68/02/822526802.db2.gz KYUYSHNPXXESCO-IBGZPJMESA-N 1 0 389.499 4.364 20 0 GIADRO Cc1ccc(NCc2ccc(Br)cc2)cc1NC(=O)CC[NH+](C)C ZINC000183779200 822527382 /nfs/dbraw/zinc/52/73/82/822527382.db2.gz MWNFLPLJYGOMBY-UHFFFAOYSA-N 1 0 390.325 4.260 20 0 GIADRO C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000454754238 822528547 /nfs/dbraw/zinc/52/85/47/822528547.db2.gz ZNEIICUKPDTIPW-ZDUSSCGKSA-N 1 0 384.351 4.241 20 0 GIADRO C[C@@H](NC(=O)C[NH2+][C@H](C)c1cccc(OCc2ccccn2)c1)c1cccs1 ZINC000179694319 822528855 /nfs/dbraw/zinc/52/88/55/822528855.db2.gz POYGOKAIGCJZLF-IAGOWNOFSA-N 1 0 395.528 4.250 20 0 GIADRO O=C(CC[NH+]1CCCCC1)Nc1cccc(NC(=O)N[C@@H](C2CC2)C2CCC2)c1 ZINC000454758864 822529197 /nfs/dbraw/zinc/52/91/97/822529197.db2.gz LJCDVATZZPBOKB-JOCHJYFZSA-N 1 0 398.551 4.201 20 0 GIADRO C[C@@H]([NH2+][C@@H](c1ccccc1)C1CC1)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000179698568 822530036 /nfs/dbraw/zinc/53/00/36/822530036.db2.gz GEHXHRHRTIQVHC-VFNWGFHPSA-N 1 0 379.529 4.384 20 0 GIADRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)Nc3cccc(Cl)c3)cc2)C[C@@H](C)O1 ZINC000046918909 822530583 /nfs/dbraw/zinc/53/05/83/822530583.db2.gz HEWXJEORONBGAN-HZPDHXFCSA-N 1 0 387.911 4.271 20 0 GIADRO CC1([C@H]2CCC[N@H+](Cc3csc(-c4ccc(Cl)cc4)n3)C2)OCCO1 ZINC000183820157 822531857 /nfs/dbraw/zinc/53/18/57/822531857.db2.gz YUGSHMLTBXRABC-HNNXBMFYSA-N 1 0 378.925 4.439 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cccc(N4CCCC4=O)c3)cc2)C1 ZINC000046934334 822532547 /nfs/dbraw/zinc/53/25/47/822532547.db2.gz YFYSORXRKBYKAP-GOSISDBHSA-N 1 0 391.515 4.298 20 0 GIADRO COc1ccc(SCCC(=O)NCc2ccccc2C[N@H+](C)C(C)C)cc1 ZINC000046935676 822532879 /nfs/dbraw/zinc/53/28/79/822532879.db2.gz SPXYGEFBXWAIMR-UHFFFAOYSA-N 1 0 386.561 4.334 20 0 GIADRO COc1cccc(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)c1OC(F)F ZINC000046935646 822532900 /nfs/dbraw/zinc/53/29/00/822532900.db2.gz RGFUMOALWZFFGT-UHFFFAOYSA-N 1 0 392.446 4.067 20 0 GIADRO C[C@@H](CNC(=O)c1ccc(C2SCCCS2)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000046954695 822533917 /nfs/dbraw/zinc/53/39/17/822533917.db2.gz KOLYBFGPKHNZBY-HOTGVXAUSA-N 1 0 378.607 4.406 20 0 GIADRO CCOc1ccccc1NC(=O)C[NH2+][C@@H](CC)c1ccccc1OC(F)F ZINC000179721211 822534990 /nfs/dbraw/zinc/53/49/90/822534990.db2.gz QMIXIQSELDUKFM-HNNXBMFYSA-N 1 0 378.419 4.366 20 0 GIADRO Cc1ccccc1[C@@H]1CCCN1C(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000179724242 822535503 /nfs/dbraw/zinc/53/55/03/822535503.db2.gz GRFPBHHMTODPHI-DEOSSOPVSA-N 1 0 392.543 4.177 20 0 GIADRO Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000046991734 822536295 /nfs/dbraw/zinc/53/62/95/822536295.db2.gz YZBNAYMVCTYSRS-OAHLLOKOSA-N 1 0 393.597 4.283 20 0 GIADRO COC(=O)COc1ccccc1[C@H](C)[NH2+][C@H]1CCCOc2cc(Cl)ccc21 ZINC000183854993 822536434 /nfs/dbraw/zinc/53/64/34/822536434.db2.gz MAZRBFMVEIWEMS-KSSFIOAISA-N 1 0 389.879 4.456 20 0 GIADRO Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000046996361 822536515 /nfs/dbraw/zinc/53/65/15/822536515.db2.gz YZNRPIZHAAKXDE-HZPDHXFCSA-N 1 0 375.925 4.129 20 0 GIADRO CC(C)(CNC(=O)NC1CC[NH+](C2CCC2)CC1)c1cccc(Cl)c1F ZINC000454807876 822537974 /nfs/dbraw/zinc/53/79/74/822537974.db2.gz PSTONGOHKQNTEE-UHFFFAOYSA-N 1 0 381.923 4.073 20 0 GIADRO CCc1noc(C2CCC([NH2+]CCc3coc(-c4ccc(F)cc4)n3)CC2)n1 ZINC000183879442 822539635 /nfs/dbraw/zinc/53/96/35/822539635.db2.gz YQGLJJIDSLPIGV-UHFFFAOYSA-N 1 0 384.455 4.285 20 0 GIADRO C[C@H](CCNC(=O)Nc1cccc(-c2noc(C3CC3)n2)c1)[NH+]1CCCCC1 ZINC000183880541 822539834 /nfs/dbraw/zinc/53/98/34/822539834.db2.gz KJURXLJHIJJCDG-OAHLLOKOSA-N 1 0 383.496 4.000 20 0 GIADRO Cc1c([C@@H](C)[NH2+]CCC2(C)OCCO2)cnn1-c1ccc(Cl)cc1Cl ZINC000183884270 822540413 /nfs/dbraw/zinc/54/04/13/822540413.db2.gz UHOCHGKSSNOBSE-GFCCVEGCSA-N 1 0 384.307 4.291 20 0 GIADRO C[C@H](c1cccc(Cl)c1)N(C)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179742291 822540831 /nfs/dbraw/zinc/54/08/31/822540831.db2.gz MEAIFUZKIHMSPO-MRXNPFEDSA-N 1 0 386.927 4.354 20 0 GIADRO C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000179743173 822540921 /nfs/dbraw/zinc/54/09/21/822540921.db2.gz YTGOTYRVIFESGI-VGSWGCGISA-N 1 0 396.510 4.230 20 0 GIADRO CCCOc1cc(C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)ccc1OC ZINC000179745682 822541601 /nfs/dbraw/zinc/54/16/01/822541601.db2.gz ILPIKGWMAVMZSL-UHFFFAOYSA-N 1 0 382.504 4.335 20 0 GIADRO c1ccc(COc2cccc(C[NH+]3CCC(c4nnc5ccccn54)CC3)c2)nc1 ZINC000179747757 822541766 /nfs/dbraw/zinc/54/17/66/822541766.db2.gz ZDBSSZSWJVEHRS-UHFFFAOYSA-N 1 0 399.498 4.083 20 0 GIADRO CC[NH+](CC)Cc1cccc(N[C@H](C)c2ccc(NS(C)(=O)=O)cc2)c1 ZINC000179750287 822542397 /nfs/dbraw/zinc/54/23/97/822542397.db2.gz LFQKIXRGZPZFPR-MRXNPFEDSA-N 1 0 375.538 4.073 20 0 GIADRO CC[NH+](CC)Cc1cccc(N[C@@H](C)c2ccc(NS(=O)(=O)CC)cc2)c1 ZINC000179750387 822542467 /nfs/dbraw/zinc/54/24/67/822542467.db2.gz SMDNVXVDKXVVNY-KRWDZBQOSA-N 1 0 389.565 4.463 20 0 GIADRO CC[NH+](CC)Cc1cccc(N[C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)c1 ZINC000179750900 822542646 /nfs/dbraw/zinc/54/26/46/822542646.db2.gz HMTNRAGLRYRFDW-HNNXBMFYSA-N 1 0 378.513 4.244 20 0 GIADRO CC[NH+](CC)Cc1cccc(N[C@H](C)c2ccc(NS(=O)(=O)CC)cc2)c1 ZINC000179750400 822542712 /nfs/dbraw/zinc/54/27/12/822542712.db2.gz SMDNVXVDKXVVNY-QGZVFWFLSA-N 1 0 389.565 4.463 20 0 GIADRO CC(C)(CNC(=O)NC1CC[NH+](C2CCC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000454834321 822542942 /nfs/dbraw/zinc/54/29/42/822542942.db2.gz VIAKCPHGHVDPSL-UHFFFAOYSA-N 1 0 397.485 4.299 20 0 GIADRO CC[C@@H]1c2ccsc2CCN1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179753472 822543261 /nfs/dbraw/zinc/54/32/61/822543261.db2.gz OXUIUJHLIFDQOS-LJQANCHMSA-N 1 0 384.549 4.079 20 0 GIADRO CCCN(CCc1cccc(F)c1)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179755199 822543815 /nfs/dbraw/zinc/54/38/15/822543815.db2.gz KGSDDOUHDOFOOZ-UHFFFAOYSA-N 1 0 398.526 4.101 20 0 GIADRO Cc1cccc(C)c1NC(=O)[C@H](C)[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179756039 822543977 /nfs/dbraw/zinc/54/39/77/822543977.db2.gz YXZDDGIRNLVQJB-KSFYIVLOSA-N 1 0 380.488 4.143 20 0 GIADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc2ncccc2c1 ZINC000179755663 822544031 /nfs/dbraw/zinc/54/40/31/822544031.db2.gz HDHUOYLEQNDZNT-NRFANRHFSA-N 1 0 389.499 4.067 20 0 GIADRO COc1ccccc1COC1CC[NH+](Cc2ccccc2OC(F)F)CC1 ZINC000179755876 822544079 /nfs/dbraw/zinc/54/40/79/822544079.db2.gz JGJOAOIBKMZSPI-UHFFFAOYSA-N 1 0 377.431 4.478 20 0 GIADRO Cc1c(C(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)[nH]c2c1C(=O)CCC2 ZINC000047109771 822545020 /nfs/dbraw/zinc/54/50/20/822545020.db2.gz ICFCZUXDHQXEGT-MRXNPFEDSA-N 1 0 393.531 4.004 20 0 GIADRO CCN(Cc1ccccc1)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000179760483 822545092 /nfs/dbraw/zinc/54/50/92/822545092.db2.gz NZYSVLDFJDLINL-QZTJIDSGSA-N 1 0 393.531 4.123 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCC1)N[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000183914657 822545400 /nfs/dbraw/zinc/54/54/00/822545400.db2.gz MZHXDCFXZZBECO-DHIUTWEWSA-N 1 0 393.531 4.002 20 0 GIADRO CC(C)c1cnc(C[NH2+]C[C@H](CO)Cc2ccc(OC(F)(F)F)cc2)s1 ZINC000183915795 822545559 /nfs/dbraw/zinc/54/55/59/822545559.db2.gz CIQVIJRKWIZJTF-CQSZACIVSA-N 1 0 388.455 4.106 20 0 GIADRO CC(=O)c1c(C)cc(C)c(C[NH2+][C@H](CO)c2cccc(Br)c2)c1C ZINC000183916938 822545826 /nfs/dbraw/zinc/54/58/26/822545826.db2.gz YQKIXMPBTKBPPJ-LJQANCHMSA-N 1 0 390.321 4.400 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1ccc(OC)cc1 ZINC000179767539 822548285 /nfs/dbraw/zinc/54/82/85/822548285.db2.gz RYPAYEWMXGRQEV-BTYIYWSLSA-N 1 0 395.503 4.112 20 0 GIADRO Cc1csc(SCc2ccccc2C(=O)NCC[N@H+]2CCC[C@H](C)C2)n1 ZINC000047146492 822548400 /nfs/dbraw/zinc/54/84/00/822548400.db2.gz OVPXAYSTTOQUSK-HNNXBMFYSA-N 1 0 389.590 4.206 20 0 GIADRO C[C@H](Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)c1ccc2c(c1)CCC2 ZINC000179768058 822548536 /nfs/dbraw/zinc/54/85/36/822548536.db2.gz YRHAXRSWHYCRTO-KRWDZBQOSA-N 1 0 377.532 4.046 20 0 GIADRO CC(C)c1cccc(NC(=O)C[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)c1 ZINC000179770423 822549173 /nfs/dbraw/zinc/54/91/73/822549173.db2.gz VKURNXMPRJEMJA-MRXNPFEDSA-N 1 0 379.504 4.448 20 0 GIADRO C[C@@H](Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)c1ccc2ccccc2n1 ZINC000179775790 822550447 /nfs/dbraw/zinc/55/04/47/822550447.db2.gz HULTZKSCZWKWRG-QGZVFWFLSA-N 1 0 388.515 4.105 20 0 GIADRO c1c2c(sc1-c1nnc(CN3CCC[N@@H+](C4CCCC4)CC3)o1)CCCC2 ZINC000183949684 822552461 /nfs/dbraw/zinc/55/24/61/822552461.db2.gz HYNIZDZXECISQH-UHFFFAOYSA-N 1 0 386.565 4.127 20 0 GIADRO COc1ccc(-c2n[nH]cc2C[NH+]2CCC(OCc3ccccc3)CC2)cc1 ZINC000179801581 822555783 /nfs/dbraw/zinc/55/57/83/822555783.db2.gz YTWGCKXBMIBTFV-UHFFFAOYSA-N 1 0 377.488 4.267 20 0 GIADRO Cc1ccccc1C([NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1)c1ccccc1C ZINC000183973137 822556109 /nfs/dbraw/zinc/55/61/09/822556109.db2.gz SRGYMMPNFCYWKI-GOSISDBHSA-N 1 0 394.540 4.391 20 0 GIADRO COc1ccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1OC(C)C ZINC000183978997 822557181 /nfs/dbraw/zinc/55/71/81/822557181.db2.gz AFMOKIFMDCISGX-UHFFFAOYSA-N 1 0 379.504 4.431 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)N[C@H]2CCOC3(CCCC3)C2)CC1 ZINC000183989958 822559051 /nfs/dbraw/zinc/55/90/51/822559051.db2.gz IIAHEBHMPXWOIX-FQEVSTJZSA-N 1 0 379.589 4.022 20 0 GIADRO CC[C@@H](C)CN(C)c1ccc(F)cc1C[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000179820107 822559414 /nfs/dbraw/zinc/55/94/14/822559414.db2.gz LSAPSUZIOWANRW-GOSISDBHSA-N 1 0 389.559 4.142 20 0 GIADRO C[C@H]1CCCc2ccccc2[C@@H]1NC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000183992073 822559557 /nfs/dbraw/zinc/55/95/57/822559557.db2.gz LJILWSGOIHQRJU-FDDCHVKYSA-N 1 0 392.547 4.059 20 0 GIADRO N#Cc1ccc(C[NH+]2CCC(Nc3cc4c(cc3Cl)OCCO4)CC2)cc1 ZINC000179823310 822560227 /nfs/dbraw/zinc/56/02/27/822560227.db2.gz IEDYJCUBKQQCJP-UHFFFAOYSA-N 1 0 383.879 4.059 20 0 GIADRO CN(c1ccccc1)C1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000047278432 822561480 /nfs/dbraw/zinc/56/14/80/822561480.db2.gz BIESNDKBBUBARR-UHFFFAOYSA-N 1 0 391.559 4.414 20 0 GIADRO Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000454947678 822561798 /nfs/dbraw/zinc/56/17/98/822561798.db2.gz NSXYODPEXLHLIN-WMZHIEFXSA-N 1 0 384.568 4.323 20 0 GIADRO Cc1nn(C)c2nc(C)c(C(=O)Nc3ccc(C[N@H+]4CCC[C@H](C)C4)cc3)cc12 ZINC000047283522 822561958 /nfs/dbraw/zinc/56/19/58/822561958.db2.gz FBWHNZVWLFUISY-HNNXBMFYSA-N 1 0 391.519 4.069 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccc4c(c3)NC(=O)CS4)cc2)C1 ZINC000047283415 822561989 /nfs/dbraw/zinc/56/19/89/822561989.db2.gz ZZFVEPBZYQSTMJ-HNNXBMFYSA-N 1 0 395.528 4.215 20 0 GIADRO Cc1nc(CSc2ccc(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)cc2)cs1 ZINC000047287072 822562147 /nfs/dbraw/zinc/56/21/47/822562147.db2.gz KLRNSFGNVYKLLB-RTBURBONSA-N 1 0 387.574 4.100 20 0 GIADRO CSc1ccc([C@H](CNC(=O)Nc2cccc(OCCF)c2)[NH+](C)C)cc1 ZINC000454950752 822562331 /nfs/dbraw/zinc/56/23/31/822562331.db2.gz BQEJCXYJDPTDMN-IBGZPJMESA-N 1 0 391.512 4.181 20 0 GIADRO C[C@@H](NC(=O)NCCCC[N@H+](C)C1CC1)c1ccc(Oc2cccnc2)cc1 ZINC000454951592 822562379 /nfs/dbraw/zinc/56/23/79/822562379.db2.gz AYQRTATYKXEMSU-QGZVFWFLSA-N 1 0 382.508 4.109 20 0 GIADRO O=C(N[C@@H](c1ccccc1)c1ccccn1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000047304979 822563820 /nfs/dbraw/zinc/56/38/20/822563820.db2.gz RUVHFBJWCFHMFJ-DEOSSOPVSA-N 1 0 385.511 4.199 20 0 GIADRO CCOc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1OCC ZINC000047305130 822563909 /nfs/dbraw/zinc/56/39/09/822563909.db2.gz UOBTWRCXUGATBB-UHFFFAOYSA-N 1 0 382.504 4.335 20 0 GIADRO O=C(c1cccc(Br)c1Cl)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000184013290 822564028 /nfs/dbraw/zinc/56/40/28/822564028.db2.gz XMYJXHDFQFDECQ-CYBMUJFWSA-N 1 0 385.733 4.051 20 0 GIADRO C[C@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1cccc(OC(F)F)c1 ZINC000047309350 822564274 /nfs/dbraw/zinc/56/42/74/822564274.db2.gz ZOZIAJYWGDSTTE-INIZCTEOSA-N 1 0 388.458 4.377 20 0 GIADRO Cc1cc(C)c(-c2csc(NC(=O)C[NH2+][C@H](C)C3CCOCC3)n2)cc1C ZINC000179844952 822565051 /nfs/dbraw/zinc/56/50/51/822565051.db2.gz RILIXNIEJYCREW-MRXNPFEDSA-N 1 0 387.549 4.079 20 0 GIADRO CC[NH+](CC)CCOc1ccc(CNC(=O)Nc2ccc(C)cc2C)cc1OC ZINC000047322358 822565457 /nfs/dbraw/zinc/56/54/57/822565457.db2.gz PMTJGAGHEFIWFV-UHFFFAOYSA-N 1 0 399.535 4.354 20 0 GIADRO Cn1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)c(C(C)(C)C)n1 ZINC000179847601 822565488 /nfs/dbraw/zinc/56/54/88/822565488.db2.gz VTVYWZXOPIHRCC-JWTNVVGKSA-N 1 0 390.572 4.080 20 0 GIADRO C[C@H](Nc1cccc(N2CCCCC2=O)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000179849221 822565815 /nfs/dbraw/zinc/56/58/15/822565815.db2.gz RDPVQTZCALYBSN-SFHVURJKSA-N 1 0 381.520 4.317 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCOCC1 ZINC000179850512 822565920 /nfs/dbraw/zinc/56/59/20/822565920.db2.gz FDDBIAFDVLEGNO-SNVBAGLBSA-N 1 0 398.347 4.067 20 0 GIADRO CSc1ccccc1NC(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000047337471 822568545 /nfs/dbraw/zinc/56/85/45/822568545.db2.gz GHQYSBUVQNGNBP-UHFFFAOYSA-N 1 0 398.576 4.132 20 0 GIADRO Cc1c(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)cnn1CCC(C)C ZINC000455005538 822569252 /nfs/dbraw/zinc/56/92/52/822569252.db2.gz GSUFJBMVMNXSPW-IBGZPJMESA-N 1 0 397.567 4.223 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)N[C@@H](C)c3ccc(C)cc3)c(C)c2)CC1 ZINC000047373684 822571877 /nfs/dbraw/zinc/57/18/77/822571877.db2.gz ITYVIZFYLVCCNU-IBGZPJMESA-N 1 0 380.536 4.328 20 0 GIADRO COc1ccc(NC(=O)N2CCC([NH+]3CCCC3)CC2)cc1Cc1ccccc1 ZINC000047395631 822574756 /nfs/dbraw/zinc/57/47/56/822574756.db2.gz ZNFTVXKUWQPRRU-UHFFFAOYSA-N 1 0 393.531 4.378 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)c2cc(C3CC3)nc3onc(C)c32)CC1 ZINC000184105944 822578975 /nfs/dbraw/zinc/57/89/75/822578975.db2.gz RSXDKBDKGKKSOV-UHFFFAOYSA-N 1 0 398.551 4.383 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1cc(-c2ccccc2Cl)on1)c1cccs1 ZINC000047441661 822579439 /nfs/dbraw/zinc/57/94/39/822579439.db2.gz FBZOVGIEDWMJKC-HNNXBMFYSA-N 1 0 375.881 4.089 20 0 GIADRO COc1cccc([C@H](CNC(=O)c2cc(-c3ccccc3Cl)on2)[NH+](C)C)c1 ZINC000047442396 822579587 /nfs/dbraw/zinc/57/95/87/822579587.db2.gz OAUAXBOVXCNXIZ-IBGZPJMESA-N 1 0 399.878 4.036 20 0 GIADRO COc1ccc([C@@H](C)C[NH+]2CCC(c3nc(-c4ccccn4)no3)CC2)cc1 ZINC000179933241 822579675 /nfs/dbraw/zinc/57/96/75/822579675.db2.gz NVRYQWYVISJKFG-INIZCTEOSA-N 1 0 378.476 4.123 20 0 GIADRO COc1cc(C[NH2+]C[C@@H](C)c2nc(C)cs2)ccc1OCc1ccncc1 ZINC000184113649 822580211 /nfs/dbraw/zinc/58/02/11/822580211.db2.gz UOIVUIZUHUSRQA-OAHLLOKOSA-N 1 0 383.517 4.327 20 0 GIADRO CC(=O)N[C@H](CC(=O)Nc1cccc(C[NH+]2CCCC2)c1)c1ccc(Cl)cc1 ZINC000047452426 822580967 /nfs/dbraw/zinc/58/09/67/822580967.db2.gz RFAUIFQFEFTPEL-OAQYLSRUSA-N 1 0 399.922 4.142 20 0 GIADRO NC(=O)c1cccc(C[NH+]2CCC(c3nc4cc(Cl)ccc4s3)CC2)c1 ZINC000047461677 822581521 /nfs/dbraw/zinc/58/15/21/822581521.db2.gz XMEWFTPMAUZTHK-UHFFFAOYSA-N 1 0 385.920 4.428 20 0 GIADRO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2cc(C)ccc2OC(F)F)cc1 ZINC000179941872 822581924 /nfs/dbraw/zinc/58/19/24/822581924.db2.gz GVUIAKKYKCAESA-AWEZNQCLSA-N 1 0 383.460 4.241 20 0 GIADRO CC(=O)Nc1ccc(-c2csc(NC(=O)CC3(C[NH3+])CCCCC3)n2)cc1 ZINC000184134522 822583876 /nfs/dbraw/zinc/58/38/76/822583876.db2.gz NMFYSHGZDFVFKA-UHFFFAOYSA-N 1 0 386.521 4.006 20 0 GIADRO Cn1cc([C@H](NC[C@@H](c2cccs2)[NH+]2CCCC2)c2cccc(F)c2)cn1 ZINC000179961052 822586031 /nfs/dbraw/zinc/58/60/31/822586031.db2.gz NXRHUXKCWDLPTQ-PZJWPPBQSA-N 1 0 384.524 4.137 20 0 GIADRO COc1cc(OC)c(C(=O)Nc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)cc1OC ZINC000047522153 822586684 /nfs/dbraw/zinc/58/66/84/822586684.db2.gz ATUGWRHXVAYTGG-INIZCTEOSA-N 1 0 398.503 4.339 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2ccc3c(c2)NC(=O)CS3)cc1 ZINC000047522214 822586696 /nfs/dbraw/zinc/58/66/96/822586696.db2.gz AXVSKDWNHJNGII-OAHLLOKOSA-N 1 0 395.528 4.358 20 0 GIADRO Cc1ccc(C(=O)CCC(=O)CCC(=O)Nc2cccc(C[NH+](C)C)c2)s1 ZINC000047538536 822588404 /nfs/dbraw/zinc/58/84/04/822588404.db2.gz WGHSPETVWFGHRU-UHFFFAOYSA-N 1 0 386.517 4.069 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1cncc(F)c1 ZINC000179972915 822588549 /nfs/dbraw/zinc/58/85/49/822588549.db2.gz UWURAJDKYDBFJK-ACJLOTCBSA-N 1 0 395.400 4.081 20 0 GIADRO C[C@H](CC(=O)Nc1ccc(OCC[NH+](C)C)cc1)C(=O)c1ccc(Cl)cc1 ZINC000179975085 822588634 /nfs/dbraw/zinc/58/86/34/822588634.db2.gz JGIREGUENRZWJB-OAHLLOKOSA-N 1 0 388.895 4.128 20 0 GIADRO CC(C)[C@@H](NC(=O)c1ccco1)C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000047544221 822589090 /nfs/dbraw/zinc/58/90/90/822589090.db2.gz SVNIGETZWLAPNS-LAUBAEHRSA-N 1 0 397.519 4.047 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)Cc2ccc3c(c2)OCCO3)cc1 ZINC000047544391 822589109 /nfs/dbraw/zinc/58/91/09/822589109.db2.gz XKACTROMXTXFSZ-KRWDZBQOSA-N 1 0 380.488 4.013 20 0 GIADRO O=C(Nc1ccc(Oc2ccccc2)cn1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000455103560 822589235 /nfs/dbraw/zinc/58/92/35/822589235.db2.gz FVADYCCQMXAKNS-GOSISDBHSA-N 1 0 380.492 4.214 20 0 GIADRO O=S(=O)(c1ccc(C[NH2+][C@@H](c2ccccc2)C2CC2)cc1)N1CCCCC1 ZINC000179978248 822589253 /nfs/dbraw/zinc/58/92/53/822589253.db2.gz JFHCJYQAASINFQ-QFIPXVFZSA-N 1 0 384.545 4.102 20 0 GIADRO CN1CC[N@H+](C)Cc2ccc(NC(=O)Nc3ccccc3C(F)(F)F)cc21 ZINC000179979103 822589431 /nfs/dbraw/zinc/58/94/31/822589431.db2.gz DGHHLVNDJRKKPW-UHFFFAOYSA-N 1 0 378.398 4.231 20 0 GIADRO CC(C)(C)OC(=O)NC1CCC([NH2+]C[C@@H](c2ccco2)N2CCCCC2)CC1 ZINC000179979955 822589679 /nfs/dbraw/zinc/58/96/79/822589679.db2.gz TXJPHEIWHAQIOD-ACBHZAAOSA-N 1 0 391.556 4.232 20 0 GIADRO Fc1ccc(-c2noc(CCC[NH2+]Cc3cc(F)cc4cccnc43)n2)cc1 ZINC000184169659 822589948 /nfs/dbraw/zinc/58/99/48/822589948.db2.gz ITSNNDWWFMPMHS-UHFFFAOYSA-N 1 0 380.398 4.285 20 0 GIADRO CN(C)[C@@H](C[NH2+][C@@H](c1cnn(C)c1)c1cccc(F)c1)c1ccccc1Cl ZINC000179984197 822590593 /nfs/dbraw/zinc/59/05/93/822590593.db2.gz OONSJOMJGRZWPQ-LEWJYISDSA-N 1 0 386.902 4.195 20 0 GIADRO Cc1c(NC(=O)CC2(C[NH3+])CCCCC2)cccc1C(=O)Nc1ccccc1 ZINC000184175163 822591010 /nfs/dbraw/zinc/59/10/10/822591010.db2.gz RWQFUFVLXIWLPN-UHFFFAOYSA-N 1 0 379.504 4.485 20 0 GIADRO Cc1ccccc1NC(=S)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000047567438 822591425 /nfs/dbraw/zinc/59/14/25/822591425.db2.gz LEGZEEYLWXHZNA-QZTJIDSGSA-N 1 0 383.561 4.091 20 0 GIADRO Cc1cccc(C)c1NC(=S)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000047567392 822591465 /nfs/dbraw/zinc/59/14/65/822591465.db2.gz LIIVCWUGINLLJK-OALUTQOASA-N 1 0 397.588 4.399 20 0 GIADRO CC(C)c1nccn1Cc1cccc(NC(=O)N2CCC([NH+]3CCCC3)CC2)c1 ZINC000047571379 822592445 /nfs/dbraw/zinc/59/24/45/822592445.db2.gz UBAXTBCNJXQKKR-UHFFFAOYSA-N 1 0 395.551 4.147 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@@H]1CSc2ccccc21 ZINC000455124658 822592650 /nfs/dbraw/zinc/59/26/50/822592650.db2.gz IWZSOKCRDGLVHZ-LJQANCHMSA-N 1 0 383.561 4.169 20 0 GIADRO COc1ccc(NC(=O)NCc2ccccc2C[NH+]2CCCC2)cc1OC(C)C ZINC000184191203 822593508 /nfs/dbraw/zinc/59/35/08/822593508.db2.gz HVOIIWLILYLULY-UHFFFAOYSA-N 1 0 397.519 4.400 20 0 GIADRO Brc1ccc([C@@H]([NH2+]CCc2nnc3n2CCCCC3)C2CC2)cc1 ZINC000180001984 822593571 /nfs/dbraw/zinc/59/35/71/822593571.db2.gz XKAWBITWSXYIFQ-IBGZPJMESA-N 1 0 389.341 4.050 20 0 GIADRO COc1cc(OC)cc([C@H]([NH2+][C@@H](C)Cc2ccc(Cl)cc2)c2nccn2C)c1 ZINC000180003294 822593763 /nfs/dbraw/zinc/59/37/63/822593763.db2.gz YQPWDLLZBYHQQJ-BTYIYWSLSA-N 1 0 399.922 4.401 20 0 GIADRO COc1ccccc1[C@@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)C1CCCC1 ZINC000180004039 822593993 /nfs/dbraw/zinc/59/39/93/822593993.db2.gz BCADJGAPXIVODL-QFIPXVFZSA-N 1 0 382.504 4.414 20 0 GIADRO CC[NH+](CC)CCN(CC(C)C)C(=O)Nc1cccc(C(=O)NC(C)(C)C)c1 ZINC000047587463 822594440 /nfs/dbraw/zinc/59/44/40/822594440.db2.gz UXBNPVOCKDSYJS-UHFFFAOYSA-N 1 0 390.572 4.047 20 0 GIADRO O=C1CCCN1CCC[NH2+][C@H](c1ccccc1)c1ccccc1Br ZINC000180007748 822594710 /nfs/dbraw/zinc/59/47/10/822594710.db2.gz MOKZPPJRJVKNRA-HXUWFJFHSA-N 1 0 387.321 4.141 20 0 GIADRO C[C@@H]([NH2+]C[C@H]1COC2(CCCCCC2)O1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000180010986 822595944 /nfs/dbraw/zinc/59/59/44/822595944.db2.gz PAOOCEHSMVZQQI-UZLBHIALSA-N 1 0 387.524 4.087 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2Cl)cc1OC ZINC000047608847 822596302 /nfs/dbraw/zinc/59/63/02/822596302.db2.gz GDKKGIZJPYUTTI-KBPBESRZSA-N 1 0 376.884 4.425 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(F)cc2F)cc1OC ZINC000047609151 822596475 /nfs/dbraw/zinc/59/64/75/822596475.db2.gz XAKZVEZAMLOFOJ-STQMWFEESA-N 1 0 378.419 4.050 20 0 GIADRO CCCNC(=O)CN1CCC([NH2+][C@H](c2ccc(Cl)c(Cl)c2)C2CC2)CC1 ZINC000180013580 822596635 /nfs/dbraw/zinc/59/66/35/822596635.db2.gz FODCWGUTUIUUOX-FQEVSTJZSA-N 1 0 398.378 4.025 20 0 GIADRO COc1ccc(NC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)cc1OC(C)C ZINC000184214151 822597333 /nfs/dbraw/zinc/59/73/33/822597333.db2.gz NGUPNMIVROELSA-SFHVURJKSA-N 1 0 389.471 4.046 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[NH2+][C@H](c2ccc(Cl)cc2)[C@H]2C[C@H]2C)c1 ZINC000180017245 822597484 /nfs/dbraw/zinc/59/74/84/822597484.db2.gz XTPYRSHMWPEDKO-GQNMWPQZSA-N 1 0 388.895 4.283 20 0 GIADRO CCNC(=O)c1ccc(C[NH2+][C@H](c2ccc(Br)cc2)C2CC2)cc1 ZINC000180019818 822597847 /nfs/dbraw/zinc/59/78/47/822597847.db2.gz BZJMOEYTKKLQRN-IBGZPJMESA-N 1 0 387.321 4.440 20 0 GIADRO Cc1cc(Br)c(NC(=O)NCCCC[N@@H+](C)C2CC2)cc1Cl ZINC000455153752 822598102 /nfs/dbraw/zinc/59/81/02/822598102.db2.gz VTVZOLLFAKMXRK-UHFFFAOYSA-N 1 0 388.737 4.407 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)Nc2ccc(OC)c(OC(C)C)c2)c1 ZINC000184219816 822598149 /nfs/dbraw/zinc/59/81/49/822598149.db2.gz VPEVKQGJEVXBML-UHFFFAOYSA-N 1 0 385.508 4.256 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CN[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000180023667 822598953 /nfs/dbraw/zinc/59/89/53/822598953.db2.gz XONZOOLOJVCLCZ-QHCPKHFHSA-N 1 0 380.511 4.280 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NCc1ccccc1Cl ZINC000180024179 822599151 /nfs/dbraw/zinc/59/91/51/822599151.db2.gz GEQGQQDVXJZIKG-UHFFFAOYSA-N 1 0 386.927 4.183 20 0 GIADRO CN(C)C(=O)COc1cccc(C[NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)c1 ZINC000180026681 822599757 /nfs/dbraw/zinc/59/97/57/822599757.db2.gz CQXYGHRVQCYUDU-HSZRJFAPSA-N 1 0 384.495 4.314 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1cccc(NC(=O)OC)c1)c1ccccc1 ZINC000047711182 822601968 /nfs/dbraw/zinc/60/19/68/822601968.db2.gz PGQQOYNGVHOFIF-IBGZPJMESA-N 1 0 384.480 4.070 20 0 GIADRO O=C(Nc1ccc(OC(F)F)c(F)c1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000047714194 822602600 /nfs/dbraw/zinc/60/26/00/822602600.db2.gz SBFHRNFHMMYVLC-UHFFFAOYSA-N 1 0 393.409 4.167 20 0 GIADRO C[C@@H](CNC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1nccs1 ZINC000184258097 822604450 /nfs/dbraw/zinc/60/44/50/822604450.db2.gz SWUBISIOBOAVKU-WMLDXEAASA-N 1 0 392.956 4.036 20 0 GIADRO C[C@H](C[S@](C)=O)[NH2+]Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000184261414 822604889 /nfs/dbraw/zinc/60/48/89/822604889.db2.gz AWSQYYSRPOZSES-OZAJXLCCSA-N 1 0 386.344 4.429 20 0 GIADRO C[C@@H](C[S@](C)=O)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000184267496 822605914 /nfs/dbraw/zinc/60/59/14/822605914.db2.gz AIWBIXUUDMZAEK-HAWMADMCSA-N 1 0 387.936 4.049 20 0 GIADRO C[C@H]([NH2+][C@H](CCc1ccccc1)c1ccccc1)c1ccc(S(N)(=O)=O)cc1 ZINC000180061680 822606649 /nfs/dbraw/zinc/60/66/49/822606649.db2.gz JRXVBYZCOSPJNR-FDDCHVKYSA-N 1 0 394.540 4.359 20 0 GIADRO CC(C)CC(=O)N1CCC([NH2+][C@@H]2CCc3c2cccc3Br)CC1 ZINC000180070090 822609082 /nfs/dbraw/zinc/60/90/82/822609082.db2.gz OTZORKUNLDWJNN-GOSISDBHSA-N 1 0 379.342 4.063 20 0 GIADRO COc1cc(C[NH2+]C[C@H](C)c2nccs2)ccc1OCc1c(C)noc1C ZINC000184289043 822609356 /nfs/dbraw/zinc/60/93/56/822609356.db2.gz FTKIWEIZBQOYDL-ZDUSSCGKSA-N 1 0 387.505 4.229 20 0 GIADRO O=C(CC[NH+]1CCC(C(=O)c2cc(F)ccc2F)CC1)Nc1ccccc1F ZINC000047798415 822609979 /nfs/dbraw/zinc/60/99/79/822609979.db2.gz RRRAXZDNQQVHGP-UHFFFAOYSA-N 1 0 390.405 4.027 20 0 GIADRO Cc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C(F)(F)F)cc2)nc1 ZINC000184299073 822610615 /nfs/dbraw/zinc/61/06/15/822610615.db2.gz BVFSQFSCHRJPCM-UHFFFAOYSA-N 1 0 380.414 4.005 20 0 GIADRO COc1ccccc1S(=O)(=O)CCC[NH2+][C@@H](C)c1c(F)cccc1Cl ZINC000184311197 822612558 /nfs/dbraw/zinc/61/25/58/822612558.db2.gz LPGNRTOHYORVCQ-ZDUSSCGKSA-N 1 0 385.888 4.002 20 0 GIADRO COc1cc([C@H](C)[NH2+]CC(=O)Nc2cc(F)ccc2F)ccc1OCC(C)C ZINC000180089966 822613222 /nfs/dbraw/zinc/61/32/22/822613222.db2.gz UVWYZCYMELIISD-AWEZNQCLSA-N 1 0 392.446 4.298 20 0 GIADRO CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@@H](c2ccccc2C)C(C)(C)C)cc1 ZINC000180094008 822614078 /nfs/dbraw/zinc/61/40/78/822614078.db2.gz QXIZBVVAJQKOBB-KNQAVFIVSA-N 1 0 384.520 4.070 20 0 GIADRO COc1ccc2oc([C@H](C)[NH2+]C[C@H](O)COCc3ccccc3F)c(C)c2c1 ZINC000184319852 822614321 /nfs/dbraw/zinc/61/43/21/822614321.db2.gz YXIMFCSHNMTYEZ-RDJZCZTQSA-N 1 0 387.451 4.117 20 0 GIADRO COc1cc([C@@H](C)[NH2+]Cc2cnn(C)c2C(F)(F)F)ccc1OCC(C)C ZINC000180100150 822615179 /nfs/dbraw/zinc/61/51/79/822615179.db2.gz JPVBTTSOWDKLBS-CYBMUJFWSA-N 1 0 385.430 4.333 20 0 GIADRO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000180103388 822615663 /nfs/dbraw/zinc/61/56/63/822615663.db2.gz MFAUXRBHOBCEEX-AZUAARDMSA-N 1 0 388.552 4.018 20 0 GIADRO CC[C@@H](C(=O)NCC1CC[NH+](Cc2cccs2)CC1)c1ccc(OC)cc1 ZINC000180104009 822615887 /nfs/dbraw/zinc/61/58/87/822615887.db2.gz PAYCKWIDQWWPEP-OAQYLSRUSA-N 1 0 386.561 4.279 20 0 GIADRO COc1ccc2oc([C@H](C)[NH2+][C@H](C)C(=O)Nc3ccnn3C(C)C)c(C)c2c1 ZINC000184335755 822617696 /nfs/dbraw/zinc/61/76/96/822617696.db2.gz VQYQXQODWDYTGP-LSDHHAIUSA-N 1 0 384.480 4.205 20 0 GIADRO COc1ccc2oc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc3ccnn3C(C)C)c(C)c2c1 ZINC000184335697 822617730 /nfs/dbraw/zinc/61/77/30/822617730.db2.gz VQYQXQODWDYTGP-CABCVRRESA-N 1 0 384.480 4.205 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H]1C[C@@H](C)Oc2ccccc21 ZINC000455251242 822617934 /nfs/dbraw/zinc/61/79/34/822617934.db2.gz SIRGYXVIYBGCPH-DYESRHJHSA-N 1 0 381.520 4.192 20 0 GIADRO COc1ccc2oc([C@@H](C)[NH2+]CC(=O)N[C@H](C)c3ccccc3OC)c(C)c2c1 ZINC000184337632 822618111 /nfs/dbraw/zinc/61/81/11/822618111.db2.gz LZYVIAHRWCNXFO-HZPDHXFCSA-N 1 0 396.487 4.286 20 0 GIADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)Nc2cccc(OC(F)F)c2)CC1 ZINC000047906127 822618278 /nfs/dbraw/zinc/61/82/78/822618278.db2.gz KCFAYQRFIDQYLL-UHFFFAOYSA-N 1 0 389.446 4.336 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@@H](C)c1ccc(F)cc1F ZINC000047924751 822620091 /nfs/dbraw/zinc/62/00/91/822620091.db2.gz QTYWSKMVBUPQAQ-HNNXBMFYSA-N 1 0 375.463 4.365 20 0 GIADRO C[C@@H]([NH2+]C1(CN[C@@H](C)c2nc3ccccc3n2C)CCOCC1)c1ccccc1 ZINC000180126390 822620886 /nfs/dbraw/zinc/62/08/86/822620886.db2.gz NLDVHCPPOUUWIE-MOPGFXCFSA-N 1 0 392.547 4.124 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1ccccc1C(=O)NC1CC1)c1cc2ccccc2s1 ZINC000184354952 822621109 /nfs/dbraw/zinc/62/11/09/822621109.db2.gz VKCURWRMHNKGSB-AWEZNQCLSA-N 1 0 393.512 4.083 20 0 GIADRO CCOC(=O)Nc1ccc(NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000047944947 822621356 /nfs/dbraw/zinc/62/13/56/822621356.db2.gz GOXKJFFAQJPMFL-INIZCTEOSA-N 1 0 376.501 4.031 20 0 GIADRO Cc1cc(NC(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)cc(C)c1Br ZINC000455269366 822622370 /nfs/dbraw/zinc/62/23/70/822622370.db2.gz MUQGVPXNUVNZQM-GOSISDBHSA-N 1 0 380.330 4.016 20 0 GIADRO Cc1c(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cccc1N(C)C ZINC000180132350 822622399 /nfs/dbraw/zinc/62/23/99/822622399.db2.gz FALZIVRUSXPZBQ-SEJPIABJSA-N 1 0 392.547 4.378 20 0 GIADRO CSc1ccc([C@H](C)NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000047968618 822622979 /nfs/dbraw/zinc/62/29/79/822622979.db2.gz BMVQMNYEUODELU-KRWDZBQOSA-N 1 0 383.561 4.433 20 0 GIADRO CC[NH+](CC)CC1CCN(CC(=O)N[C@@H](c2cccs2)c2ccccc2)CC1 ZINC000047977110 822623587 /nfs/dbraw/zinc/62/35/87/822623587.db2.gz UGQZFUPZLRXVCS-HSZRJFAPSA-N 1 0 399.604 4.008 20 0 GIADRO C[C@@H]([NH2+]CCCOc1ccc(S(C)(=O)=O)cc1)c1cc2ccccc2s1 ZINC000184372020 822623771 /nfs/dbraw/zinc/62/37/71/822623771.db2.gz HDDMNBNGFMZQBK-OAHLLOKOSA-N 1 0 389.542 4.425 20 0 GIADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(Cl)c(OC(F)F)c2)C1 ZINC000180139914 822624494 /nfs/dbraw/zinc/62/44/94/822624494.db2.gz UYVWWZUTDYTBLA-GFCCVEGCSA-N 1 0 375.847 4.041 20 0 GIADRO CC[C@@H](C)n1ncc(NC(=O)NC[C@H](c2ccc(SC)cc2)[NH+](C)C)c1C ZINC000455275949 822624656 /nfs/dbraw/zinc/62/46/56/822624656.db2.gz YBKMYYRICKJIOR-AUUYWEPGSA-N 1 0 389.569 4.309 20 0 GIADRO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(Br)cc2Cl)[C@@H]1c1ccccc1 ZINC000180142592 822625320 /nfs/dbraw/zinc/62/53/20/822625320.db2.gz TURIZQLIBFPQMO-SJORKVTESA-N 1 0 393.712 4.278 20 0 GIADRO C[C@H](NC(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)c1cccnc1 ZINC000048067531 822628964 /nfs/dbraw/zinc/62/89/64/822628964.db2.gz HPTPVMKLUKLUKL-QRVBRYPASA-N 1 0 380.536 4.120 20 0 GIADRO Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000180158555 822629233 /nfs/dbraw/zinc/62/92/33/822629233.db2.gz HCOKEMIQPJFVMW-AZUAARDMSA-N 1 0 394.906 4.009 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc2oc(C3CC3)nc2c1)c1ccc(F)cc1 ZINC000048076789 822629622 /nfs/dbraw/zinc/62/96/22/822629622.db2.gz DAJQHMWRVMOMTN-SFHVURJKSA-N 1 0 382.439 4.269 20 0 GIADRO Cc1nn(C(C)(C)C)cc1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000184412141 822630177 /nfs/dbraw/zinc/63/01/77/822630177.db2.gz BHVZPGILXCETJM-UNMCSNQZSA-N 1 0 394.563 4.073 20 0 GIADRO Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)NC(C)(C)CCC[NH+](C)C ZINC000455297262 822630304 /nfs/dbraw/zinc/63/03/04/822630304.db2.gz JLWGUJCRIOQLGB-UHFFFAOYSA-N 1 0 383.949 4.044 20 0 GIADRO CCC(CC)C(=O)N1CCC([NH2+][C@@H]2CCc3[nH]c4ccc(C)cc4c3C2)CC1 ZINC000180169451 822631601 /nfs/dbraw/zinc/63/16/01/822631601.db2.gz KPOBANOINUWTKY-LJQANCHMSA-N 1 0 381.564 4.350 20 0 GIADRO Fc1ccc(-c2nc(CC[NH2+]C3CCN(CCC(F)(F)F)CC3)co2)cc1 ZINC000180171804 822631945 /nfs/dbraw/zinc/63/19/45/822631945.db2.gz STKMWSFDBGYBRE-UHFFFAOYSA-N 1 0 385.405 4.030 20 0 GIADRO C[C@H]1CCN(C(=O)Nc2nc(Cc3ccccc3)cs2)C[C@H]1n1ccnc1 ZINC000184423862 822632517 /nfs/dbraw/zinc/63/25/17/822632517.db2.gz OORVHHFYNMTSLX-MAUKXSAKSA-N 1 0 381.505 4.045 20 0 GIADRO O=S(=O)(CCC[NH2+]C(c1ccccc1)c1ccccc1)Cc1ccccc1 ZINC000180179454 822633532 /nfs/dbraw/zinc/63/35/32/822633532.db2.gz UJBWZZHNIPOTFR-UHFFFAOYSA-N 1 0 379.525 4.371 20 0 GIADRO Brc1ccc(CN2CCC[C@H]([NH+]3CCCC3)CC2)c2ncccc12 ZINC000180182645 822634103 /nfs/dbraw/zinc/63/41/03/822634103.db2.gz PUVBSYDQEWXXIU-KRWDZBQOSA-N 1 0 388.353 4.448 20 0 GIADRO CCN(C(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1)[C@@H](C)c1cccnc1 ZINC000455323319 822634179 /nfs/dbraw/zinc/63/41/79/822634179.db2.gz CVUWOECLZOVVPV-IBGZPJMESA-N 1 0 380.536 4.229 20 0 GIADRO CS(=O)(=O)C1CCC([NH2+][C@H](c2ccc(Cl)c(Cl)c2)C2CC2)CC1 ZINC000180183318 822634355 /nfs/dbraw/zinc/63/43/55/822634355.db2.gz NOTJLLBFEKMZOP-KVULBXGLSA-N 1 0 376.349 4.390 20 0 GIADRO Cc1ccccc1[C@@H](OC[C@H](O)C[NH2+][C@@H](C)c1nccs1)c1ccccc1 ZINC000184438694 822635305 /nfs/dbraw/zinc/63/53/05/822635305.db2.gz HVNWNZRGGSKMDE-DSKINZAPSA-N 1 0 382.529 4.269 20 0 GIADRO FC(F)(F)CCN1CCC([NH2+]C2(c3cccc(Br)c3)CC2)CC1 ZINC000180188056 822635441 /nfs/dbraw/zinc/63/54/41/822635441.db2.gz GERYCDACPNDMCQ-UHFFFAOYSA-N 1 0 391.275 4.445 20 0 GIADRO CC(C)OC(=O)C[C@H]1CCC[N@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000184446180 822636557 /nfs/dbraw/zinc/63/65/57/822636557.db2.gz UQNYFFNMZPAQFN-OAQYLSRUSA-N 1 0 382.504 4.214 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)COCc1ccc(Cl)cc1)c1nc(C(C)(C)C)cs1 ZINC000184446732 822636758 /nfs/dbraw/zinc/63/67/58/822636758.db2.gz SYJBLLKPTBJFES-XJKSGUPXSA-N 1 0 382.957 4.322 20 0 GIADRO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000048131993 822637003 /nfs/dbraw/zinc/63/70/03/822637003.db2.gz RUHAXJFNXZKOOI-CYBMUJFWSA-N 1 0 381.879 4.149 20 0 GIADRO C[NH+](C)CCN(Cc1ccccc1)C(=O)Nc1ccc(N2CCCC2)c(F)c1 ZINC000048138451 822637657 /nfs/dbraw/zinc/63/76/57/822637657.db2.gz YEGGHCKZZMHQPS-UHFFFAOYSA-N 1 0 384.499 4.022 20 0 GIADRO Cn1cc(C[NH2+][C@H](c2ccc(Br)cc2)C2CC2)c(C(F)(F)F)n1 ZINC000180198825 822637943 /nfs/dbraw/zinc/63/79/43/822637943.db2.gz WMVZLRFNODWBKK-AWEZNQCLSA-N 1 0 388.231 4.442 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc(OC)c(OC(F)F)c1 ZINC000048143180 822638598 /nfs/dbraw/zinc/63/85/98/822638598.db2.gz AVYLDZQVNRVNAY-UHFFFAOYSA-N 1 0 392.446 4.068 20 0 GIADRO COCCOc1ccc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)c(Cl)c1 ZINC000184458643 822638994 /nfs/dbraw/zinc/63/89/94/822638994.db2.gz XXEOWTVKBCCVTD-UHFFFAOYSA-N 1 0 388.895 4.213 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1)c1nc2ccc(Cl)cc2n1C ZINC000180204690 822639041 /nfs/dbraw/zinc/63/90/41/822639041.db2.gz DFRNFSLYTBOVMS-UONOGXRCSA-N 1 0 380.883 4.219 20 0 GIADRO CC(C)c1ccc(OCCC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000180209331 822639818 /nfs/dbraw/zinc/63/98/18/822639818.db2.gz ZJIAHQLXGZLUJT-UHFFFAOYSA-N 1 0 381.520 4.007 20 0 GIADRO CC(C)(Cc1cccc(Cl)c1)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180213830 822640800 /nfs/dbraw/zinc/64/08/00/822640800.db2.gz UHPHUMZVPRETKJ-UHFFFAOYSA-N 1 0 385.939 4.337 20 0 GIADRO CCO[C@@H](C)c1nc(CN2CCN(Cc3cc(F)ccc3C)CC2)cs1 ZINC000180214286 822640876 /nfs/dbraw/zinc/64/08/76/822640876.db2.gz NVKYQYUUJGHBCB-INIZCTEOSA-N 1 0 377.529 4.006 20 0 GIADRO O=C1C[C@@H](NCc2csc(-c3ccsc3)n2)CN1c1c(F)cccc1F ZINC000180218484 822641399 /nfs/dbraw/zinc/64/13/99/822641399.db2.gz ZQTDGQZKTAUDGD-GFCCVEGCSA-N 1 0 391.468 4.045 20 0 GIADRO CCCn1cc(C[N@@H+](Cc2ccccc2)C[C@H](O)c2cccc(OC)c2)cn1 ZINC000180219702 822641597 /nfs/dbraw/zinc/64/15/97/822641597.db2.gz VHIQXWDHZSTNLR-QHCPKHFHSA-N 1 0 379.504 4.038 20 0 GIADRO CCCn1cc(C[N@@H+](Cc2ccccc2)C[C@@H](O)c2cccc(OC)c2)cn1 ZINC000180219726 822641665 /nfs/dbraw/zinc/64/16/65/822641665.db2.gz VHIQXWDHZSTNLR-HSZRJFAPSA-N 1 0 379.504 4.038 20 0 GIADRO Cc1nc(-c2ccccc2)sc1NC(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000184472602 822642128 /nfs/dbraw/zinc/64/21/28/822642128.db2.gz VJKFNZYJLBQPJE-UHFFFAOYSA-N 1 0 384.505 4.307 20 0 GIADRO Cc1nc(-c2cccs2)sc1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180221971 822642239 /nfs/dbraw/zinc/64/22/39/822642239.db2.gz AURAUSYSYMNITN-UHFFFAOYSA-N 1 0 398.557 4.221 20 0 GIADRO COc1ccc(S[C@@H](C)C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000048185654 822643290 /nfs/dbraw/zinc/64/32/90/822643290.db2.gz MDSULTBOUPMMHJ-YJBOKZPZSA-N 1 0 390.574 4.191 20 0 GIADRO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)C1(c2cccc(F)c2)CCOCC1 ZINC000180228420 822643792 /nfs/dbraw/zinc/64/37/92/822643792.db2.gz UCFBTYYJCGTFPK-UHFFFAOYSA-N 1 0 396.506 4.151 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000180229205 822643943 /nfs/dbraw/zinc/64/39/43/822643943.db2.gz ZCVZHEYMHUOGSF-GESALYCCSA-N 1 0 397.899 4.063 20 0 GIADRO O=C(Cc1csc(-c2ccccn2)n1)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000048199132 822644668 /nfs/dbraw/zinc/64/46/68/822644668.db2.gz SJNSFYMGPKFFDP-UHFFFAOYSA-N 1 0 392.528 4.372 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1sccc1Br)c1ccsc1 ZINC000048229160 822647070 /nfs/dbraw/zinc/64/70/70/822647070.db2.gz MFNKRIAVODHBCZ-ZDUSSCGKSA-N 1 0 387.368 4.385 20 0 GIADRO CC[C@H]([NH2+][C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21)c1ccc2c(c1)CCO2 ZINC000184512181 822648429 /nfs/dbraw/zinc/64/84/29/822648429.db2.gz RHGIPWQMNOWFGC-FCHUYYIVSA-N 1 0 382.479 4.295 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)N[C@@H](c1c[nH]c2ccccc21)C(F)(F)F ZINC000455411536 822648724 /nfs/dbraw/zinc/64/87/24/822648724.db2.gz PCXHDFFVLSLUFB-INIZCTEOSA-N 1 0 384.446 4.191 20 0 GIADRO CCC(=O)Nc1ccc(C)c(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000048256976 822649326 /nfs/dbraw/zinc/64/93/26/822649326.db2.gz BTJDZKRMOQCRTQ-LJQANCHMSA-N 1 0 398.507 4.285 20 0 GIADRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000180259069 822649794 /nfs/dbraw/zinc/64/97/94/822649794.db2.gz IMLJZXOSQIQYNQ-IEBWSBKVSA-N 1 0 398.551 4.212 20 0 GIADRO O=C(CCCOc1ccc(Cl)cc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000048298115 822652230 /nfs/dbraw/zinc/65/22/30/822652230.db2.gz NNLNPTCOQASYOM-UHFFFAOYSA-N 1 0 386.923 4.280 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)CCSCc3ccccn3)cc2)C1 ZINC000048323150 822653674 /nfs/dbraw/zinc/65/36/74/822653674.db2.gz UHKHEAAUCOJERF-IBGZPJMESA-N 1 0 397.588 4.253 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]CC(=O)NCc1cccs1 ZINC000184546739 822655079 /nfs/dbraw/zinc/65/50/79/822655079.db2.gz ZEGYJLKXQNVPDJ-CQSZACIVSA-N 1 0 385.558 4.455 20 0 GIADRO CCCOc1ccc(C[N@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)cc1OC ZINC000180284857 822655264 /nfs/dbraw/zinc/65/52/64/822655264.db2.gz CURGLMFTQFTEGL-DXPJPUQTSA-N 1 0 375.534 4.414 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(C)c(NC(C)=O)c1)Cc1ccccc1 ZINC000048361747 822656221 /nfs/dbraw/zinc/65/62/21/822656221.db2.gz ZZUSPOQCHGSTOA-OAQYLSRUSA-N 1 0 396.535 4.028 20 0 GIADRO CC(C)(C)OC(=O)c1cccc(C[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c1 ZINC000180291157 822656983 /nfs/dbraw/zinc/65/69/83/822656983.db2.gz NGCZBZUYNMZELG-SFHVURJKSA-N 1 0 382.508 4.017 20 0 GIADRO Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000048371294 822657081 /nfs/dbraw/zinc/65/70/81/822657081.db2.gz JAKMAWKHSIBHAM-GOSISDBHSA-N 1 0 394.519 4.243 20 0 GIADRO CC[C@H]([NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)c1ccccc1F ZINC000180293678 822657583 /nfs/dbraw/zinc/65/75/83/822657583.db2.gz ZGLDUBMBYAMOLU-YVHKJVDXSA-N 1 0 384.495 4.316 20 0 GIADRO Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc1)[C@H](C)C2 ZINC000180293722 822657702 /nfs/dbraw/zinc/65/77/02/822657702.db2.gz LSKXBHOOXSAULP-FLFXDLLNSA-N 1 0 392.543 4.268 20 0 GIADRO Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180295879 822658150 /nfs/dbraw/zinc/65/81/50/822658150.db2.gz VGDHLEMJXHBTQQ-IBGZPJMESA-N 1 0 394.563 4.493 20 0 GIADRO Cc1cc(C[C@@H](C)[NH2+]Cc2c[nH]nc2-c2ccc(C)o2)n(-c2ccccc2)n1 ZINC000180296815 822658599 /nfs/dbraw/zinc/65/85/99/822658599.db2.gz LRIAVZXMYBOTSW-OAHLLOKOSA-N 1 0 375.476 4.193 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000048397380 822659325 /nfs/dbraw/zinc/65/93/25/822659325.db2.gz QVMDYPZCLRXNFI-QGZVFWFLSA-N 1 0 397.494 4.072 20 0 GIADRO CSc1ccc(Cl)c(C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000180307748 822660989 /nfs/dbraw/zinc/66/09/89/822660989.db2.gz DUDUXMPOZUBURR-UHFFFAOYSA-N 1 0 396.984 4.027 20 0 GIADRO Cc1c2ccccc2oc1[C@H](C)NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180310969 822661574 /nfs/dbraw/zinc/66/15/74/822661574.db2.gz UXNYIWYEFOXCFZ-KRWDZBQOSA-N 1 0 392.503 4.413 20 0 GIADRO C[C@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(-c2ccc(F)cc2)cc1 ZINC000455479130 822662346 /nfs/dbraw/zinc/66/23/46/822662346.db2.gz RQYSIIRVMJJKBX-AJNJGYFJSA-N 1 0 381.495 4.478 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000180319541 822662803 /nfs/dbraw/zinc/66/28/03/822662803.db2.gz JUIKOWIZKSWQNC-FCHUYYIVSA-N 1 0 396.510 4.025 20 0 GIADRO CCSc1ccc([C@@H](C)NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000180330553 822664630 /nfs/dbraw/zinc/66/46/30/822664630.db2.gz WIJFNJHRIVRMFU-QGZVFWFLSA-N 1 0 398.576 4.470 20 0 GIADRO CCOCC[N@@H+]1CCN(C(=O)Nc2ccc(-c3ccncc3)c(C)c2)C[C@H]1CC ZINC000455499461 822666611 /nfs/dbraw/zinc/66/66/11/822666611.db2.gz DPAKKJKLYTZLIX-OAQYLSRUSA-N 1 0 396.535 4.022 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000455504233 822667465 /nfs/dbraw/zinc/66/74/65/822667465.db2.gz QGLCKFDGPXIFQY-XMMPIXPASA-N 1 0 389.543 4.361 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)Nc3cccc(OCC#N)c3)cc2)C1 ZINC000048509213 822668790 /nfs/dbraw/zinc/66/87/90/822668790.db2.gz PRFTVKOJQQDAJF-GOSISDBHSA-N 1 0 392.503 4.143 20 0 GIADRO C[C@@H]([NH2+]C1(c2ccc(Cl)cc2)CCC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000180353886 822668858 /nfs/dbraw/zinc/66/88/58/822668858.db2.gz DGZXZYNJKNIYNC-CQSZACIVSA-N 1 0 378.925 4.442 20 0 GIADRO COc1ccc(NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)c(C(F)(F)F)c1 ZINC000048549219 822671323 /nfs/dbraw/zinc/67/13/23/822671323.db2.gz PRTFZSLRBFLFGV-CQSZACIVSA-N 1 0 387.446 4.490 20 0 GIADRO COc1ccc(NC(=O)NCCCC[NH+]2CCC(C)CC2)c(C(F)(F)F)c1 ZINC000048549274 822671352 /nfs/dbraw/zinc/67/13/52/822671352.db2.gz ZFIMLNFALVLSNZ-UHFFFAOYSA-N 1 0 387.446 4.348 20 0 GIADRO COc1ccc(NC(=O)NCc2cccc(C[NH+](C)C)c2)c(C(F)(F)F)c1 ZINC000048550049 822671547 /nfs/dbraw/zinc/67/15/47/822671547.db2.gz WKTZIGVFMWGOLD-UHFFFAOYSA-N 1 0 381.398 4.097 20 0 GIADRO COc1ccc([C@H](C[NH2+][C@H](C)c2ccc(OC(F)F)cc2)N(C)C)cc1OC ZINC000180379201 822672646 /nfs/dbraw/zinc/67/26/46/822672646.db2.gz BMUZYKKIWZYLOF-KDOFPFPSSA-N 1 0 394.462 4.259 20 0 GIADRO COc1ccc([C@H](C[NH2+][C@H](C)c2cccc(OC(F)F)c2)N(C)C)cc1OC ZINC000180380049 822672898 /nfs/dbraw/zinc/67/28/98/822672898.db2.gz XJJOCEFDDIOIHR-KDOFPFPSSA-N 1 0 394.462 4.259 20 0 GIADRO C[C@@H](NC(=O)NC[C@H](c1ccsc1)[NH+](C)C)c1ccc(C(F)(F)F)cc1 ZINC000048568530 822673046 /nfs/dbraw/zinc/67/30/46/822673046.db2.gz QNAJKMGYBUYJKA-MLGOLLRUSA-N 1 0 385.455 4.430 20 0 GIADRO C[C@@H](NC(=O)Nc1cc(F)cc(F)c1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000455554338 822674104 /nfs/dbraw/zinc/67/41/04/822674104.db2.gz PRIGCPUNRUOBAG-HIFRSBDPSA-N 1 0 377.410 4.136 20 0 GIADRO FC(F)(F)CN1CCC([NH2+]Cc2cc3cc(Br)ccc3[nH]2)CC1 ZINC000184674728 822674234 /nfs/dbraw/zinc/67/42/34/822674234.db2.gz JHRYDGVZUNMYEO-UHFFFAOYSA-N 1 0 390.247 4.047 20 0 GIADRO CC1(C(=O)Nc2ccc(-n3ccnc3)c(F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000184681838 822675691 /nfs/dbraw/zinc/67/56/91/822675691.db2.gz SAIJGLVURCQSFZ-UHFFFAOYSA-N 1 0 392.478 4.252 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2cc(F)cc(F)c2F)[C@H]1c1cccs1 ZINC000455567794 822675899 /nfs/dbraw/zinc/67/58/99/822675899.db2.gz PIFXCPDEZOWSNU-GTNSWQLSSA-N 1 0 383.439 4.370 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1cc(F)cc(F)c1F ZINC000455568114 822675933 /nfs/dbraw/zinc/67/59/33/822675933.db2.gz QBKBHTSUWQTSBG-SUMWQHHRSA-N 1 0 377.410 4.136 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)N(Cc1ccccc1Cl)CC1CC1 ZINC000455570636 822676320 /nfs/dbraw/zinc/67/63/20/822676320.db2.gz XTRRQPOAVIRLRZ-UHFFFAOYSA-N 1 0 375.944 4.279 20 0 GIADRO O=C(c1ccc(C[NH2+][C@H]2CCCOc3ccc(F)cc32)cc1)N1CCCCC1 ZINC000180410107 822677117 /nfs/dbraw/zinc/67/71/17/822677117.db2.gz YADXNBMBCCZLFV-NRFANRHFSA-N 1 0 382.479 4.455 20 0 GIADRO COc1ccc(OC)c([C@@H](C)[NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)c1 ZINC000180410041 822677138 /nfs/dbraw/zinc/67/71/38/822677138.db2.gz LVAWRMSGQFAKLJ-QGZVFWFLSA-N 1 0 382.504 4.181 20 0 GIADRO Cc1ccc(C(C)(C)C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)cc1 ZINC000180417264 822678036 /nfs/dbraw/zinc/67/80/36/822678036.db2.gz DYLBBHGIRZAIDW-UHFFFAOYSA-N 1 0 379.548 4.442 20 0 GIADRO COc1cccc([C@@H](CNC(=O)Nc2cc(F)cc(F)c2F)[NH+]2CCCC2)c1 ZINC000455583578 822678362 /nfs/dbraw/zinc/67/83/62/822678362.db2.gz FDOULCZIEFHRGQ-GOSISDBHSA-N 1 0 393.409 4.071 20 0 GIADRO COc1cccc([C@H](CNC(=O)Nc2cc(F)cc(F)c2F)[NH+]2CCCC2)c1 ZINC000455583583 822678401 /nfs/dbraw/zinc/67/84/01/822678401.db2.gz FDOULCZIEFHRGQ-SFHVURJKSA-N 1 0 393.409 4.071 20 0 GIADRO C[C@@H](c1ccc(C(=O)N2C[C@H]([NH+](C)C)Cc3ccccc32)cc1)C(F)(F)F ZINC000455583717 822678594 /nfs/dbraw/zinc/67/85/94/822678594.db2.gz ZUGCKMUQVQXREJ-KBXCAEBGSA-N 1 0 376.422 4.486 20 0 GIADRO Cc1nc(-c2cccc(NC(=O)C3(C)CC[NH+](Cc4ccccc4)CC3)c2)no1 ZINC000184700370 822678836 /nfs/dbraw/zinc/67/88/36/822678836.db2.gz NPUOBKGUOIXORY-UHFFFAOYSA-N 1 0 390.487 4.286 20 0 GIADRO COc1cccc(-c2n[nH]cc2C[NH2+]Cc2cc(Br)ccc2F)c1 ZINC000048710067 822679158 /nfs/dbraw/zinc/67/91/58/822679158.db2.gz ZXZZYGPBOJYFDA-UHFFFAOYSA-N 1 0 390.256 4.277 20 0 GIADRO CCOc1cc(C(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)ccc1C ZINC000180424817 822679448 /nfs/dbraw/zinc/67/94/48/822679448.db2.gz ZSPMNZXACJYVHM-UHFFFAOYSA-N 1 0 381.520 4.167 20 0 GIADRO Cc1cccc([C@H](C)NC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000455588478 822679445 /nfs/dbraw/zinc/67/94/45/822679445.db2.gz JLNOILPEGUJBOV-IBGZPJMESA-N 1 0 380.536 4.399 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](c2ccccc2)C(F)F)[C@H]1c1cccs1 ZINC000455587666 822679510 /nfs/dbraw/zinc/67/95/10/822679510.db2.gz GLNUETYSUDAYHL-NJAFHUGGSA-N 1 0 393.503 4.437 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1coc(-c2ccccc2)n1 ZINC000180425140 822679506 /nfs/dbraw/zinc/67/95/06/822679506.db2.gz CKBHCJBBXUXQRI-UHFFFAOYSA-N 1 0 390.487 4.115 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)CCc1ccccc1Cl ZINC000180426455 822679676 /nfs/dbraw/zinc/67/96/76/822679676.db2.gz SKNWHOFWYHDMGM-UHFFFAOYSA-N 1 0 385.939 4.433 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)C3(c4cccc(F)c4)CCC3)cc2)CC1 ZINC000180428044 822679893 /nfs/dbraw/zinc/67/98/93/822679893.db2.gz ZDTZMZJXGIIREM-UHFFFAOYSA-N 1 0 395.522 4.417 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@]3(C)CCCc4ccccc43)cc2)CC1 ZINC000180428668 822680112 /nfs/dbraw/zinc/68/01/12/822680112.db2.gz YLGQJBNSRSAEGY-VWLOTQADSA-N 1 0 391.559 4.450 20 0 GIADRO O=C(NCCC1CC(F)(F)C1)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000455591555 822680106 /nfs/dbraw/zinc/68/01/06/822680106.db2.gz BVGFCZCXPIHNJE-WOJBJXKFSA-N 1 0 391.506 4.118 20 0 GIADRO C[C@H]1C[C@@H](CCNC(=O)NCCC2CC(F)(F)C2)C[N@@H+]1Cc1ccccc1 ZINC000455593283 822680486 /nfs/dbraw/zinc/68/04/86/822680486.db2.gz HCZDJULLVAHPIR-FUHWJXTLSA-N 1 0 379.495 4.022 20 0 GIADRO O=C(NCc1ccco1)c1cccc(C[NH2+]Cc2ccc(OC(F)F)cc2)c1 ZINC000048748296 822680993 /nfs/dbraw/zinc/68/09/93/822680993.db2.gz FDSDUWVWLREWOO-UHFFFAOYSA-N 1 0 386.398 4.101 20 0 GIADRO Cc1c(-c2cc(C[NH2+][C@H](C)c3ccc(OC(F)(F)F)cc3)on2)cnn1C ZINC000184716263 822681063 /nfs/dbraw/zinc/68/10/63/822681063.db2.gz KINGXUYZTNCYSA-LLVKDONJSA-N 1 0 380.370 4.133 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000180436076 822681530 /nfs/dbraw/zinc/68/15/30/822681530.db2.gz DNDAPMTYJQGNHE-MOPGFXCFSA-N 1 0 399.485 4.228 20 0 GIADRO O=C(NC[C@@H]1CCCCN1Cc1cccc(Cl)c1)[C@@H]1C[C@H]1c1cccnc1 ZINC000455601828 822682389 /nfs/dbraw/zinc/68/23/89/822682389.db2.gz RDEOVBQPABHXQR-PCCBWWKXSA-N 1 0 383.923 4.009 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)CCc1c[nH]c2ccccc12 ZINC000180440478 822682406 /nfs/dbraw/zinc/68/24/06/822682406.db2.gz DDARNODFWLVBEM-UHFFFAOYSA-N 1 0 390.531 4.261 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(-c2ccccc2)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000048780260 822682814 /nfs/dbraw/zinc/68/28/14/822682814.db2.gz UJCGWCJKFXYSAM-SFHVURJKSA-N 1 0 394.540 4.455 20 0 GIADRO COc1cccc(Cl)c1C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180445089 822683162 /nfs/dbraw/zinc/68/31/62/822683162.db2.gz YYOJVGRORUZBNP-UHFFFAOYSA-N 1 0 387.911 4.122 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)CCc1ccc(Cl)s1 ZINC000180446293 822683571 /nfs/dbraw/zinc/68/35/71/822683571.db2.gz UEECCKFWZIBRJM-UHFFFAOYSA-N 1 0 391.968 4.494 20 0 GIADRO COc1ccccc1SC[C@H](C)C[NH2+][C@H](C)c1cnc2cc(C)nn2c1C ZINC000180446789 822683624 /nfs/dbraw/zinc/68/36/24/822683624.db2.gz CZVKSSPTTUKZGL-GDBMZVCRSA-N 1 0 384.549 4.434 20 0 GIADRO Cc1c(-c2cc(C[NH2+][C@H](C)c3cccc(OC(F)(F)F)c3)on2)cnn1C ZINC000184734106 822683642 /nfs/dbraw/zinc/68/36/42/822683642.db2.gz OBLDUWJVWYHZDW-LLVKDONJSA-N 1 0 380.370 4.133 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000180449697 822684273 /nfs/dbraw/zinc/68/42/73/822684273.db2.gz YDOXBIRJOHMOQU-WOJBJXKFSA-N 1 0 399.485 4.228 20 0 GIADRO CC(C)c1nn(C)c(Cl)c1C[NH2+]CCCC(=O)Nc1ccc(Cl)cc1 ZINC000048824982 822684585 /nfs/dbraw/zinc/68/45/85/822684585.db2.gz HBQNDZDLKFSCGX-UHFFFAOYSA-N 1 0 383.323 4.359 20 0 GIADRO O=C(Nc1cccc(C2CC2)n1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000455615534 822684712 /nfs/dbraw/zinc/68/47/12/822684712.db2.gz CWLZVZMNDCBVNM-UHFFFAOYSA-N 1 0 378.520 4.131 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1cc2c(s1)CCCC2 ZINC000180453861 822685347 /nfs/dbraw/zinc/68/53/47/822685347.db2.gz ZRCDAAZRKOGXNF-UHFFFAOYSA-N 1 0 383.561 4.401 20 0 GIADRO C[N@H+](CCCCNC(=O)N1CCC[C@H]1c1cccc(Br)c1)C1CC1 ZINC000455622681 822685665 /nfs/dbraw/zinc/68/56/65/822685665.db2.gz VAVRZMJPHNJPNJ-SFHVURJKSA-N 1 0 394.357 4.170 20 0 GIADRO C[N@H+](CCCCNC(=O)N1CCC[C@H]1Cc1c(F)cccc1Cl)C1CC1 ZINC000455622658 822685702 /nfs/dbraw/zinc/68/57/02/822685702.db2.gz UZHUPDHTWCAZKS-INIZCTEOSA-N 1 0 381.923 4.070 20 0 GIADRO CCOCCOc1ccc(Br)cc1NC1CC[NH+](C(C)C)CC1 ZINC000180463610 822686618 /nfs/dbraw/zinc/68/66/18/822686618.db2.gz MRGAIUYMVFQORH-UHFFFAOYSA-N 1 0 385.346 4.149 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)CSCc2cccnc2)C1 ZINC000048886606 822688028 /nfs/dbraw/zinc/68/80/28/822688028.db2.gz PCWREWQBEXICCH-KDURUIRLSA-N 1 0 397.588 4.109 20 0 GIADRO CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@H](c1nccs1)C(F)(F)F ZINC000455638655 822688740 /nfs/dbraw/zinc/68/87/40/822688740.db2.gz NVMLBDLHUDIFOA-CQSZACIVSA-N 1 0 392.491 4.044 20 0 GIADRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]Cc1sccc1Br ZINC000180480229 822688913 /nfs/dbraw/zinc/68/89/13/822688913.db2.gz XUXVUEHPAVIYMO-VIFPVBQESA-N 1 0 388.718 4.066 20 0 GIADRO CSCc1ccccc1NC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000184775893 822689356 /nfs/dbraw/zinc/68/93/56/822689356.db2.gz IXBBGWHHIJQWJG-LJQANCHMSA-N 1 0 383.561 4.236 20 0 GIADRO CSCc1ccccc1NC(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000184775977 822689430 /nfs/dbraw/zinc/68/94/30/822689430.db2.gz ZPUNAQNTWXZXGJ-UHFFFAOYSA-N 1 0 398.576 4.115 20 0 GIADRO Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000180503384 822692230 /nfs/dbraw/zinc/69/22/30/822692230.db2.gz ICUNAJDJVORMML-SIKLNZKXSA-N 1 0 394.563 4.033 20 0 GIADRO C[C@@H]([NH2+]CCCc1ccc(Cl)cc1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000180506285 822692879 /nfs/dbraw/zinc/69/28/79/822692879.db2.gz SXOBQTQLISBVHT-MRXNPFEDSA-N 1 0 392.952 4.163 20 0 GIADRO C[NH+](C)CCn1nccc1NC(=O)N1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000455661307 822694090 /nfs/dbraw/zinc/69/40/90/822694090.db2.gz UGKOVBWTTYKFBD-SFHVURJKSA-N 1 0 389.931 4.247 20 0 GIADRO C[C@H](NC(=O)NC[C@H](c1ccsc1)[NH+](C)C)c1cccc(OC(F)F)c1 ZINC000049195071 822694763 /nfs/dbraw/zinc/69/47/63/822694763.db2.gz VQLNNRCNCZYBKQ-BLLLJJGKSA-N 1 0 383.464 4.013 20 0 GIADRO C[C@H](NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C)c1cccc(OC(F)F)c1 ZINC000049195065 822694787 /nfs/dbraw/zinc/69/47/87/822694787.db2.gz VQLNNRCNCZYBKQ-LRDDRELGSA-N 1 0 383.464 4.013 20 0 GIADRO COc1cccc([C@@H](O)C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c1 ZINC000180519244 822695244 /nfs/dbraw/zinc/69/52/44/822695244.db2.gz MWGTUWGDUQSEKZ-VXKWHMMOSA-N 1 0 378.428 4.016 20 0 GIADRO CN(C)c1cccc(NCc2cn(Cc3ccccc3)nc2-c2cccnc2)[nH+]1 ZINC000180527882 822696463 /nfs/dbraw/zinc/69/64/63/822696463.db2.gz AWSUQFZURRJJIM-UHFFFAOYSA-N 1 0 384.487 4.067 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)CCSc1ccccn1)c1cccc(C(F)(F)F)c1 ZINC000184828865 822696515 /nfs/dbraw/zinc/69/65/15/822696515.db2.gz LPSCAJGNTQLQNL-INIZCTEOSA-N 1 0 397.466 4.002 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(OCC(F)F)c1)c1ccc(N2CCOC2=O)cc1 ZINC000180527295 822696540 /nfs/dbraw/zinc/69/65/40/822696540.db2.gz XPIUQYUEZGRUSQ-AWEZNQCLSA-N 1 0 376.403 4.138 20 0 GIADRO C[C@@H]1CCN(C(=O)Nc2ccc([C@H]3CCOC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000455672366 822696797 /nfs/dbraw/zinc/69/67/97/822696797.db2.gz MJOZVNJDBROFHY-KNQAVFIVSA-N 1 0 393.531 4.319 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]CCc1cccc(C(N)=O)c1 ZINC000180531399 822697401 /nfs/dbraw/zinc/69/74/01/822697401.db2.gz JIASOWBGLYBLBQ-ZDUSSCGKSA-N 1 0 383.492 4.250 20 0 GIADRO C[C@@H](CCNC(=O)Nc1ccc([C@H]2CCOC2)cc1)[N@H+](C)Cc1ccccc1 ZINC000455674809 822697700 /nfs/dbraw/zinc/69/77/00/822697700.db2.gz PYKNSYVOHPDENS-RXVVDRJESA-N 1 0 381.520 4.223 20 0 GIADRO Cc1ccc(C2CC([NH2+]Cc3ccc(C(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)C2)cc1 ZINC000180535324 822697885 /nfs/dbraw/zinc/69/78/85/822697885.db2.gz LKSLTMGNOVZEEZ-AYJAPBJVSA-N 1 0 392.543 4.280 20 0 GIADRO C[C@H]([NH2+]C(C)(C)CN[C@H](c1cnn(C)c1)c1cccc(F)c1)c1ccccc1 ZINC000180540574 822698909 /nfs/dbraw/zinc/69/89/09/822698909.db2.gz HIMJEJGNEJYFSN-JTSKRJEESA-N 1 0 380.511 4.368 20 0 GIADRO C[C@H]([NH2+]C[C@@H](c1ccco1)N1CCCC1)c1cc(Br)ccc1O ZINC000184844857 822699170 /nfs/dbraw/zinc/69/91/70/822699170.db2.gz SETIRHXDWWEBTL-BBRMVZONSA-N 1 0 379.298 4.235 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@H](c2ccc(F)cc2)C(C)C)c1 ZINC000049332148 822699385 /nfs/dbraw/zinc/69/93/85/822699385.db2.gz FTZZTHHRUPVHQY-NRFANRHFSA-N 1 0 399.510 4.120 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](c1ccco1)N1CCCC1)c1ccc(Br)cc1O ZINC000184845301 822699411 /nfs/dbraw/zinc/69/94/11/822699411.db2.gz URQXECIGFCJYIA-CJNGLKHVSA-N 1 0 379.298 4.235 20 0 GIADRO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000184845793 822699580 /nfs/dbraw/zinc/69/95/80/822699580.db2.gz DWBAYABHZBSXDV-QHCPKHFHSA-N 1 0 394.559 4.179 20 0 GIADRO Cc1csc([C@@H](NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)C(F)(F)F)n1 ZINC000455682438 822699901 /nfs/dbraw/zinc/69/99/01/822699901.db2.gz CJMLKJBPKRTHNZ-ZIAGYGMSSA-N 1 0 392.491 4.009 20 0 GIADRO C[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)c1cn(C)c2ccccc12 ZINC000184855616 822701298 /nfs/dbraw/zinc/70/12/98/822701298.db2.gz QDWXOZXRECDEEA-GOSISDBHSA-N 1 0 375.516 4.194 20 0 GIADRO CC(=O)c1cccc(OC[C@H](O)C[NH2+][C@H](CC(F)(F)F)c2ccc(F)cc2)c1 ZINC000180559140 822702311 /nfs/dbraw/zinc/70/23/11/822702311.db2.gz FVORDNWGYMZJLG-IEBWSBKVSA-N 1 0 399.384 4.051 20 0 GIADRO CCc1noc(-c2ccc(CC[NH2+][C@H](C)CC(=O)Nc3ccccc3C)cc2)n1 ZINC000180561097 822702784 /nfs/dbraw/zinc/70/27/84/822702784.db2.gz LDUSRTOWTHIDGD-QGZVFWFLSA-N 1 0 392.503 4.157 20 0 GIADRO Cc1c(Cl)cncc1NC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000455691170 822703008 /nfs/dbraw/zinc/70/30/08/822703008.db2.gz HHYXJFOKZXAPAF-NRFANRHFSA-N 1 0 384.911 4.173 20 0 GIADRO Brc1cccc2c1CC[C@H]2[NH2+]C1CCN(c2nccs2)CC1 ZINC000180563221 822703308 /nfs/dbraw/zinc/70/33/08/822703308.db2.gz LIIMZFVOAUFXCD-MRXNPFEDSA-N 1 0 378.339 4.152 20 0 GIADRO CCc1ccc([C@@H]([NH2+]CCCSC)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000180575519 822705189 /nfs/dbraw/zinc/70/51/89/822705189.db2.gz KZVIKODZFHNERO-HXUWFJFHSA-N 1 0 377.575 4.085 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc(Br)cc1O)c1ccc2c(c1)OCCO2 ZINC000184875512 822705392 /nfs/dbraw/zinc/70/53/92/822705392.db2.gz YUSHJHRYEFDOCT-VXGBXAGGSA-N 1 0 378.266 4.338 20 0 GIADRO COc1ccc(C[C@@H](C)C(=O)NCc2ccccc2C[N@H+](C)C(C)C)cc1OC ZINC000180578502 822705722 /nfs/dbraw/zinc/70/57/22/822705722.db2.gz XYKQZWHKQOWSRT-GOSISDBHSA-N 1 0 398.547 4.039 20 0 GIADRO C[C@H](NCC(=O)NC1(c2ccccc2)CCC1)c1ncc(-c2ccccc2)o1 ZINC000184880639 822706347 /nfs/dbraw/zinc/70/63/47/822706347.db2.gz HYSPABRFLGTWDC-KRWDZBQOSA-N 1 0 375.472 4.188 20 0 GIADRO CN1C[C@H]([NH2+][C@@H](c2ccc(Cl)cc2)c2ccc(OC(F)F)cc2)CCC1=O ZINC000180586426 822706521 /nfs/dbraw/zinc/70/65/21/822706521.db2.gz LQWSUPKAZWESSC-APWZRJJASA-N 1 0 394.849 4.241 20 0 GIADRO CCOC(=O)CC[N@H+](Cc1cccnc1)Cc1ccc(Cl)c2cccnc12 ZINC000180593347 822707523 /nfs/dbraw/zinc/70/75/23/822707523.db2.gz YANUXGANMZFMSX-UHFFFAOYSA-N 1 0 383.879 4.239 20 0 GIADRO CCOc1cc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)cc(Cl)c1OC ZINC000180600834 822709083 /nfs/dbraw/zinc/70/90/83/822709083.db2.gz YJTNXEWIBLXTSR-WBVHZDCISA-N 1 0 379.884 4.428 20 0 GIADRO CC1CC[NH+](C[C@H]2CCCN(C(=O)Nc3ccccc3OCCF)C2)CC1 ZINC000455708508 822709150 /nfs/dbraw/zinc/70/91/50/822709150.db2.gz ABLJHWAWITYLOY-GOSISDBHSA-N 1 0 377.504 4.011 20 0 GIADRO CCN(C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C)[C@@H](C)c1cccc(OC)c1 ZINC000049798798 822710210 /nfs/dbraw/zinc/71/02/10/822710210.db2.gz QFQQDBRPPBINQP-JTSKRJEESA-N 1 0 399.535 4.099 20 0 GIADRO CCN(C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)[C@@H](C)c1cccc(OC)c1 ZINC000049798222 822710290 /nfs/dbraw/zinc/71/02/90/822710290.db2.gz RBJPFNZTSDTEEI-KKSFZXQISA-N 1 0 387.499 4.230 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)Nc2ccccc2OCCF)CC1 ZINC000455719069 822712616 /nfs/dbraw/zinc/71/26/16/822712616.db2.gz TUOTWMGRPLRYOZ-UHFFFAOYSA-N 1 0 385.483 4.129 20 0 GIADRO Cn1cc(Br)cc1C[N@H+](C)Cc1ccc(Oc2cnccn2)cc1 ZINC000180615477 822713103 /nfs/dbraw/zinc/71/31/03/822713103.db2.gz OBVAHBGPRQTLCO-UHFFFAOYSA-N 1 0 387.281 4.002 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccccc2OCCF)[C@@H]1c1cccs1 ZINC000455720631 822713251 /nfs/dbraw/zinc/71/32/51/822713251.db2.gz GMPNFDISEYJMFE-HNAYVOBHSA-N 1 0 391.512 4.301 20 0 GIADRO CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000050009361 822713933 /nfs/dbraw/zinc/71/39/33/822713933.db2.gz LEDJHSNCPQVYAQ-UHFFFAOYSA-N 1 0 387.524 4.124 20 0 GIADRO O=C(Nc1ccccc1OCCF)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000455729010 822715497 /nfs/dbraw/zinc/71/54/97/822715497.db2.gz BIKQAZRFEMTRGN-QHCPKHFHSA-N 1 0 397.494 4.165 20 0 GIADRO CCOc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c(C)c1 ZINC000050057872 822716473 /nfs/dbraw/zinc/71/64/73/822716473.db2.gz DHNBTXUWCIUTQC-KRWDZBQOSA-N 1 0 387.549 4.489 20 0 GIADRO Cc1cc(Cl)c(NC(=O)N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1C ZINC000455733415 822716538 /nfs/dbraw/zinc/71/65/38/822716538.db2.gz OAMQFVVMVRVHMQ-CALCHBBNSA-N 1 0 393.959 4.310 20 0 GIADRO C[C@H]1C[C@@H](NC(=O)Nc2nc(CC(F)(F)F)cs2)C[N@@H+]1Cc1ccccc1 ZINC000455735541 822716977 /nfs/dbraw/zinc/71/69/77/822716977.db2.gz YDABLLGOSWKNDC-GXTWGEPZSA-N 1 0 398.454 4.032 20 0 GIADRO Cc1sc([C@H](C)[NH2+][C@@H](C)CN2CCOCC2)nc1-c1ccc(Cl)cc1 ZINC000184949059 822717108 /nfs/dbraw/zinc/71/71/08/822717108.db2.gz NIELMXJHTVJGGO-KBPBESRZSA-N 1 0 379.957 4.143 20 0 GIADRO O=C(Nc1ccccc1OCCF)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000455740874 822717827 /nfs/dbraw/zinc/71/78/27/822717827.db2.gz XDEUCFZKXSKOFE-UXHICEINSA-N 1 0 397.494 4.021 20 0 GIADRO CCCn1ncc(NC(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)c1C1CC1 ZINC000455743353 822718160 /nfs/dbraw/zinc/71/81/60/822718160.db2.gz ABCBZXINYZHSKV-QGZVFWFLSA-N 1 0 383.540 4.203 20 0 GIADRO CCN(C)C(=O)CC[NH2+][C@@H](C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000184960125 822718699 /nfs/dbraw/zinc/71/86/99/822718699.db2.gz WSECXZXYEUZLCI-LBPRGKRZSA-N 1 0 396.354 4.092 20 0 GIADRO CC[NH+](CC)CCOC1CCN(C(=O)Nc2cc(C)c(C)cc2Cl)CC1 ZINC000455746382 822718742 /nfs/dbraw/zinc/71/87/42/822718742.db2.gz MDVMHQXLAPBIRH-UHFFFAOYSA-N 1 0 381.948 4.312 20 0 GIADRO CCCCn1cc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c(C)n1 ZINC000184976040 822720561 /nfs/dbraw/zinc/72/05/61/822720561.db2.gz BFSYZWYVYGCFHE-GMAHTHKFSA-N 1 0 394.563 4.118 20 0 GIADRO Cc1cc([C@H]2CCCN2C(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)no1 ZINC000050156520 822720559 /nfs/dbraw/zinc/72/05/59/822720559.db2.gz UMFZHXJYBKQIRU-YADHBBJMSA-N 1 0 396.535 4.303 20 0 GIADRO Nc1ccc(F)c(NC(=O)CC[NH2+][C@@H](Cc2ccccc2)c2cccs2)c1 ZINC000184979214 822720955 /nfs/dbraw/zinc/72/09/55/822720955.db2.gz CEJJWHATVKHSRC-IBGZPJMESA-N 1 0 383.492 4.372 20 0 GIADRO COc1ccc(OC)c([C@H]2CCCN2C(=O)C[N@H+](C)[C@@H](C)c2ccccc2)c1 ZINC000050275366 822723441 /nfs/dbraw/zinc/72/34/41/822723441.db2.gz GJYHWMSMMCDXIG-LAUBAEHRSA-N 1 0 382.504 4.060 20 0 GIADRO COc1ccc(C[N@@H+]2CCCN(C(=O)Nc3c(C)cccc3SC)CC2)cc1 ZINC000185001987 822723958 /nfs/dbraw/zinc/72/39/58/822723958.db2.gz OXSKIUDCBYNOJP-UHFFFAOYSA-N 1 0 399.560 4.465 20 0 GIADRO CSc1cccc(C)c1NC(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000185026700 822726814 /nfs/dbraw/zinc/72/68/14/822726814.db2.gz FHTBDXJTFHUWQY-IRXDYDNUSA-N 1 0 391.581 4.070 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(C)nc1C1CC1 ZINC000455792990 822727546 /nfs/dbraw/zinc/72/75/46/822727546.db2.gz DJSGXADFABLFLG-FQEVSTJZSA-N 1 0 377.532 4.252 20 0 GIADRO CC(C)C(=O)c1ccc(NC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000455795470 822728075 /nfs/dbraw/zinc/72/80/75/822728075.db2.gz MHSJXKNUYOLUBI-LJQANCHMSA-N 1 0 379.504 4.169 20 0 GIADRO CCCNC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(Br)cc2O)c1 ZINC000185048635 822729122 /nfs/dbraw/zinc/72/91/22/822729122.db2.gz NOFZATYKAHABCM-ZDUSSCGKSA-N 1 0 391.309 4.145 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185055276 822729923 /nfs/dbraw/zinc/72/99/23/822729923.db2.gz CXIYVSKHXCHESK-CYBMUJFWSA-N 1 0 383.319 4.490 20 0 GIADRO CC(C)C(=O)c1ccc(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000455815491 822731415 /nfs/dbraw/zinc/73/14/15/822731415.db2.gz JKJXRMXPYOYUGM-UHFFFAOYSA-N 1 0 379.504 4.311 20 0 GIADRO CCCn1ncc(NC(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)c1C1CC1 ZINC000455826488 822732716 /nfs/dbraw/zinc/73/27/16/822732716.db2.gz JAKFJXPTYIYCAW-UHFFFAOYSA-N 1 0 395.551 4.129 20 0 GIADRO CC[C@@H]([NH2+][C@H](C)c1cc(Cl)ccc1O)c1ccccc1OCC(=O)N(C)C ZINC000185075405 822733544 /nfs/dbraw/zinc/73/35/44/822733544.db2.gz TWOIRPOQBVOJLM-RDTXWAMCSA-N 1 0 390.911 4.315 20 0 GIADRO CCCn1ncc(NC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)c1C1CC1 ZINC000455837760 822734624 /nfs/dbraw/zinc/73/46/24/822734624.db2.gz VUTJLDJJXVCSGU-UHFFFAOYSA-N 1 0 395.551 4.299 20 0 GIADRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2cnc(-c3ccccc3Cl)s2)CC1 ZINC000050629079 822735188 /nfs/dbraw/zinc/73/51/88/822735188.db2.gz XHZMORJRMHWUNU-UHFFFAOYSA-N 1 0 377.941 4.410 20 0 GIADRO CCCn1ncc(NC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)c1C1CC1 ZINC000455841232 822735270 /nfs/dbraw/zinc/73/52/70/822735270.db2.gz YBMZIADHHZWSEU-UHFFFAOYSA-N 1 0 395.551 4.265 20 0 GIADRO Cn1c(CNC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)nc2cc(Cl)ccc21 ZINC000455846307 822736181 /nfs/dbraw/zinc/73/61/81/822736181.db2.gz IHEJZBNHYNQXJV-GOSISDBHSA-N 1 0 397.910 4.097 20 0 GIADRO Cc1nn(-c2ccccc2)cc1CNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455848668 822736458 /nfs/dbraw/zinc/73/64/58/822736458.db2.gz JZSOWJHMFDGEDB-JOCHJYFZSA-N 1 0 389.503 4.051 20 0 GIADRO COC[C@@H](NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)c1ccc(F)c(F)c1 ZINC000455854525 822737455 /nfs/dbraw/zinc/73/74/55/822737455.db2.gz MZMBZYYXDFVBCM-UXHICEINSA-N 1 0 389.446 4.023 20 0 GIADRO C[C@@H](CN(C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)[C@@H](C)CO)c1ccccc1 ZINC000455854004 822737472 /nfs/dbraw/zinc/73/74/72/822737472.db2.gz MUQPDPLQXMSOMY-BSRJHKFKSA-N 1 0 395.547 4.254 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N(Cc3ccccc3)CC3(CO)CC3)ccc21 ZINC000455858852 822738398 /nfs/dbraw/zinc/73/83/98/822738398.db2.gz PIOMUVRIEWXYQA-JOCHJYFZSA-N 1 0 393.531 4.042 20 0 GIADRO CC(C)c1nc(C2CCN(C(=O)Nc3ccc4c(c3)CC[C@@H]4[NH+](C)C)CC2)no1 ZINC000455859845 822738589 /nfs/dbraw/zinc/73/85/89/822738589.db2.gz QEQKWSJIHAPJMN-IBGZPJMESA-N 1 0 397.523 4.153 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)NCC3CCN(c4ccccc4)CC3)ccc21 ZINC000455861686 822738892 /nfs/dbraw/zinc/73/88/92/822738892.db2.gz RGOKVBSMALDAKE-QHCPKHFHSA-N 1 0 392.547 4.274 20 0 GIADRO COCCC[C@H](Cc1ccccc1)NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455867861 822739720 /nfs/dbraw/zinc/73/97/20/822739720.db2.gz VIFCVYVRLVZSIB-NFBKMPQASA-N 1 0 395.547 4.395 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1)c1cc2c(cc1O)CCCC2 ZINC000185131924 822740998 /nfs/dbraw/zinc/74/09/98/822740998.db2.gz FSFVBQMCWHOBKD-QMHKHESXSA-N 1 0 394.515 4.239 20 0 GIADRO Cc1nc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)sc1Cc1ccccc1F ZINC000455895335 822743929 /nfs/dbraw/zinc/74/39/29/822743929.db2.gz CIRMNJPBOPXCER-CZUORRHYSA-N 1 0 390.528 4.128 20 0 GIADRO Cc1nc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)sc1Cc1cccc(F)c1 ZINC000455899608 822744728 /nfs/dbraw/zinc/74/47/28/822744728.db2.gz SWKRPVGVWQJYQY-CXAGYDPISA-N 1 0 390.528 4.128 20 0 GIADRO CC(C)[C@@H](CO)N(Cc1ccccc1)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455902883 822745416 /nfs/dbraw/zinc/74/54/16/822745416.db2.gz GLVNQNBROOMBGZ-XZOQPEGZSA-N 1 0 395.547 4.287 20 0 GIADRO COc1ccccc1C[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455902870 822745436 /nfs/dbraw/zinc/74/54/36/822745436.db2.gz GKUSGDVVIBATSD-RBBKRZOGSA-N 1 0 393.531 4.483 20 0 GIADRO Cc1ncsc1C(=O)NC1CC[NH+]([C@H](C)c2ccc(OC(F)F)cc2)CC1 ZINC000051099242 822746410 /nfs/dbraw/zinc/74/64/10/822746410.db2.gz XRTPETDAFPRWJG-CYBMUJFWSA-N 1 0 395.475 4.008 20 0 GIADRO CN(C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)[C@H]1CCCN(c2ccccc2)C1 ZINC000455907155 822746567 /nfs/dbraw/zinc/74/65/67/822746567.db2.gz IBRYRLOSXQHFFJ-JTHBVZDNSA-N 1 0 392.547 4.368 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)Nc3ccc(O[C@@H]4CCOC4)cc3)ccc21 ZINC000455906988 822746588 /nfs/dbraw/zinc/74/65/88/822746588.db2.gz HXPYNRJKJIZWGU-CTNGQTDRSA-N 1 0 381.476 4.047 20 0 GIADRO CC(=O)c1ccc(NC(=O)CC[N@@H+](C)C[C@H]2CCCO[C@@H]2c2ccccc2)cc1 ZINC000051132632 822747312 /nfs/dbraw/zinc/74/73/12/822747312.db2.gz LPXGIDFRYXOPPL-ZJSXRUAMSA-N 1 0 394.515 4.318 20 0 GIADRO CCOc1ccc(NC(=O)C[N@H+](C)C[C@H]2CCCO[C@@H]2c2ccccc2)cc1 ZINC000051133234 822747488 /nfs/dbraw/zinc/74/74/88/822747488.db2.gz ZAQXKAVIKNOILO-AUSIDOKSSA-N 1 0 382.504 4.124 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N(Cc3ccccc3)C[C@@H]3CCCO3)ccc21 ZINC000455912366 822747928 /nfs/dbraw/zinc/74/79/28/822747928.db2.gz JHQYBTREWWXPNC-GMAHTHKFSA-N 1 0 393.531 4.449 20 0 GIADRO Cc1nc(NC(=O)NC2CC[NH+](C)CC2)sc1Cc1ccc(Cl)cc1F ZINC000455914723 822748314 /nfs/dbraw/zinc/74/83/14/822748314.db2.gz MJROCKOLPDQSCJ-UHFFFAOYSA-N 1 0 396.919 4.051 20 0 GIADRO COc1cc(C[NH2+][C@H]2CCCO[C@@H]2CC(C)C)ccc1OCc1ccncc1 ZINC000185198860 822748504 /nfs/dbraw/zinc/74/85/04/822748504.db2.gz HCFIZYFOWONMAS-RBBKRZOGSA-N 1 0 384.520 4.353 20 0 GIADRO C[C@@H](NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)c1ccc(-n2cccn2)cc1 ZINC000455919709 822749474 /nfs/dbraw/zinc/74/94/74/822749474.db2.gz LPAAFANYIUHWQM-OPAMFIHVSA-N 1 0 389.503 4.304 20 0 GIADRO O=C(Nc1cccc(-c2ccc(F)c(F)c2)c1)N1CCC([NH+]2CC=CC2)CC1 ZINC000455924021 822750180 /nfs/dbraw/zinc/75/01/80/822750180.db2.gz OAGJLDSPTZUROW-UHFFFAOYSA-N 1 0 383.442 4.500 20 0 GIADRO Cc1nc(NC(=O)N2CC[C@@H]([NH+](C)C)C2)sc1Cc1ccc(Cl)cc1F ZINC000455925802 822750693 /nfs/dbraw/zinc/75/06/93/822750693.db2.gz ZFCPWNTXNNCOFN-CQSZACIVSA-N 1 0 396.919 4.003 20 0 GIADRO COc1ccc(NCc2c[nH+]ccc2N(C)C)cc1NC(=O)C1CCCCC1 ZINC000185220135 822750719 /nfs/dbraw/zinc/75/07/19/822750719.db2.gz CXPCHSFLIJJIFU-UHFFFAOYSA-N 1 0 382.508 4.287 20 0 GIADRO CC(C)[C@@H]1C[C@H]1C(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000185224389 822751402 /nfs/dbraw/zinc/75/14/02/822751402.db2.gz OYTWVGOGZNKHHO-RBUKOAKNSA-N 1 0 382.470 4.420 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)NC[C@@H]3SCCc4ccccc43)ccc21 ZINC000455929981 822751412 /nfs/dbraw/zinc/75/14/12/822751412.db2.gz OONISDGGSLGXOZ-SFTDATJTSA-N 1 0 381.545 4.388 20 0 GIADRO Cc1nc(NC(=O)N[C@@H](C)Cn2ccnc2)sc1Cc1cccc(Cl)c1 ZINC000455931412 822751798 /nfs/dbraw/zinc/75/17/98/822751798.db2.gz PHPHGJZOBXPDQY-LBPRGKRZSA-N 1 0 389.912 4.102 20 0 GIADRO Cc1nc(NC(=O)N2CC[C@@H](C[NH+](C)C)C2)sc1Cc1ccccc1Cl ZINC000455931227 822751821 /nfs/dbraw/zinc/75/18/21/822751821.db2.gz OSAXJLFWDHNFMQ-AWEZNQCLSA-N 1 0 392.956 4.111 20 0 GIADRO COc1ccc(OC)c([C@@H](C)NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)c1 ZINC000455932562 822752195 /nfs/dbraw/zinc/75/21/95/822752195.db2.gz QBBPUVXCEGFUKG-JLTOFOAXSA-N 1 0 383.492 4.135 20 0 GIADRO O=[N+]([O-])c1ccc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)cc1Cl ZINC000185234481 822752881 /nfs/dbraw/zinc/75/28/81/822752881.db2.gz QPYLJLDMFQHBSM-MRXNPFEDSA-N 1 0 376.840 4.135 20 0 GIADRO COc1ccc(C[C@H](C)C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)cc1F ZINC000185242594 822753684 /nfs/dbraw/zinc/75/36/84/822753684.db2.gz ZTAFVJQLUHABRC-KRWDZBQOSA-N 1 0 390.543 4.174 20 0 GIADRO CC[NH+](CC)CCOc1ccc(NC(=O)NC[C@@H](C)c2nc(C)cs2)cc1 ZINC000185258092 822755740 /nfs/dbraw/zinc/75/57/40/822755740.db2.gz HXUZTHXDKKKPTB-OAHLLOKOSA-N 1 0 390.553 4.097 20 0 GIADRO CCOc1cc(C[N@H+](C)C[C@@H](O)c2cc(F)ccc2F)ccc1OC(F)F ZINC000051323844 822755985 /nfs/dbraw/zinc/75/59/85/822755985.db2.gz CJQZDCJBXNNSGV-MRXNPFEDSA-N 1 0 387.373 4.130 20 0 GIADRO C[C@@H]1[C@H](C)SCCN1C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000455947326 822756046 /nfs/dbraw/zinc/75/60/46/822756046.db2.gz RJSHLNFBKFQUJN-KGLIPLIRSA-N 1 0 397.972 4.171 20 0 GIADRO C[C@H]1SCCN(C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)[C@H]1C ZINC000455947327 822756073 /nfs/dbraw/zinc/75/60/73/822756073.db2.gz RJSHLNFBKFQUJN-UONOGXRCSA-N 1 0 397.972 4.171 20 0 GIADRO C[C@@H](CNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)COCc1ccccc1 ZINC000455948290 822756172 /nfs/dbraw/zinc/75/61/72/822756172.db2.gz YEVYDGGUZFBAPL-HTAPYJJXSA-N 1 0 381.520 4.210 20 0 GIADRO CCc1c2ccccc2oc1[C@@H](C)[NH2+]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000185271117 822757556 /nfs/dbraw/zinc/75/75/56/822757556.db2.gz SBLXYZBMVAUADD-OAHLLOKOSA-N 1 0 383.467 4.217 20 0 GIADRO C[C@@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)c1ccc(SC(F)F)cc1 ZINC000185271370 822757586 /nfs/dbraw/zinc/75/75/86/822757586.db2.gz FZVDGQMJVQJJKH-CYBMUJFWSA-N 1 0 397.466 4.223 20 0 GIADRO COc1cc(C[NH2+]CCC2(C)OCCO2)ccc1OCc1ccc(Cl)cc1 ZINC000185274150 822758065 /nfs/dbraw/zinc/75/80/65/822758065.db2.gz CXNFTDNDGFXUFX-UHFFFAOYSA-N 1 0 391.895 4.170 20 0 GIADRO C[C@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)c1ccc(-c2ccccc2)o1 ZINC000185275543 822758247 /nfs/dbraw/zinc/75/82/47/822758247.db2.gz VCZHSCHKSXBKFN-INIZCTEOSA-N 1 0 381.451 4.168 20 0 GIADRO CCCC[NH+]1CCC(NC(=O)c2cnc(-c3ccccc3Cl)s2)CC1 ZINC000051385468 822758312 /nfs/dbraw/zinc/75/83/12/822758312.db2.gz QTSOMWOONLQSKY-UHFFFAOYSA-N 1 0 377.941 4.458 20 0 GIADRO Fc1cc(C[NH2+][C@H]2CCc3c2ccc(Cl)c3Cl)cnc1N1CCOCC1 ZINC000185278132 822758521 /nfs/dbraw/zinc/75/85/21/822758521.db2.gz GNZWKYPGOVMDTH-KRWDZBQOSA-N 1 0 396.293 4.141 20 0 GIADRO Fc1cc(C[NH2+][C@H](c2cccs2)C2CCCC2)cnc1N1CCOCC1 ZINC000185279645 822758772 /nfs/dbraw/zinc/75/87/72/822758772.db2.gz GNQIGZFUMUBWGO-IBGZPJMESA-N 1 0 375.513 4.140 20 0 GIADRO CC(C)Sc1ccc([C@@H](C)[NH2+]Cc2cnc(N3CCOCC3)c(F)c2)cc1 ZINC000185280096 822758881 /nfs/dbraw/zinc/75/88/81/822758881.db2.gz ITUWCFJNWDOQRO-MRXNPFEDSA-N 1 0 389.540 4.409 20 0 GIADRO CN(C(=O)Nc1cc(Cl)cc(Br)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000455971072 822759346 /nfs/dbraw/zinc/75/93/46/822759346.db2.gz NOSKNQWYLPJXPU-YIONKMFJSA-N 1 0 386.721 4.191 20 0 GIADRO Cc1cnc([C@H]([NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)C2CC2)s1 ZINC000185286635 822759836 /nfs/dbraw/zinc/75/98/36/822759836.db2.gz FKUBDAAQCOQGCN-XJKSGUPXSA-N 1 0 387.332 4.239 20 0 GIADRO Cc1cnc([C@@H]([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)C2CC2)s1 ZINC000185286686 822759849 /nfs/dbraw/zinc/75/98/49/822759849.db2.gz FKUBDAAQCOQGCN-CJNGLKHVSA-N 1 0 387.332 4.239 20 0 GIADRO C[C@@H](c1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(O)c2)cc1)C(F)(F)F ZINC000455987056 822762168 /nfs/dbraw/zinc/76/21/68/822762168.db2.gz KJQADQARTKOUOI-HNNXBMFYSA-N 1 0 394.437 4.262 20 0 GIADRO O=[N+]([O-])c1ccc(C[NH2+]CCC2CCN(CC(F)(F)F)CC2)cc1Cl ZINC000185301157 822762238 /nfs/dbraw/zinc/76/22/38/822762238.db2.gz YQOJPNHXKBITGL-UHFFFAOYSA-N 1 0 379.810 4.002 20 0 GIADRO Cc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)c(O[C@@H]2CCOC2)c1 ZINC000185302764 822762379 /nfs/dbraw/zinc/76/23/79/822762379.db2.gz LBXNJDMEIDHZFM-MRXNPFEDSA-N 1 0 376.840 4.014 20 0 GIADRO O[C@H](C[NH+]1CCC([C@H](O)c2ccccc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000051531691 822764660 /nfs/dbraw/zinc/76/46/60/822764660.db2.gz IOTTXDWGPQTAAI-WOJBJXKFSA-N 1 0 379.422 4.184 20 0 GIADRO C[C@H]([NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1C)c1ncc(Br)s1 ZINC000185315327 822764661 /nfs/dbraw/zinc/76/46/61/822764661.db2.gz BQBIMONIFAAFAR-YDHLFZDLSA-N 1 0 380.355 4.077 20 0 GIADRO CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3ccc([N+](=O)[O-])c(Cl)c3)ccc2NC1=O ZINC000185318422 822765077 /nfs/dbraw/zinc/76/50/77/822765077.db2.gz HHZSYJKSZZNSAO-PIGZYNQJSA-N 1 0 389.839 4.209 20 0 GIADRO Cc1cnc([C@@H]([NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)C2CC2)s1 ZINC000185329912 822766932 /nfs/dbraw/zinc/76/69/32/822766932.db2.gz QWCIHTVDIIUEKH-DOMZBBRYSA-N 1 0 387.332 4.239 20 0 GIADRO Cc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c(C2CC2)n1 ZINC000456017313 822767058 /nfs/dbraw/zinc/76/70/58/822767058.db2.gz QFXTZPRFYWAQCP-GMAHTHKFSA-N 1 0 389.543 4.394 20 0 GIADRO COc1c(C)cnc(CNC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)c1C ZINC000051618750 822769317 /nfs/dbraw/zinc/76/93/17/822769317.db2.gz XMGCOJRYCGLMQP-UHFFFAOYSA-N 1 0 396.535 4.057 20 0 GIADRO CC(=O)N1CC[C@H]([NH2+]Cc2ccc3c(c2)CC(C)(C)O3)c2ccc(F)cc2C1 ZINC000185353439 822769985 /nfs/dbraw/zinc/76/99/85/822769985.db2.gz ZUZSTIUVQRFXHX-NRFANRHFSA-N 1 0 382.479 4.122 20 0 GIADRO COc1cc(C[NH2+][C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)ccc1SC ZINC000185354701 822770136 /nfs/dbraw/zinc/77/01/36/822770136.db2.gz DDMMBHINJYMTJZ-LJQANCHMSA-N 1 0 388.508 4.139 20 0 GIADRO CC(=O)N1CC[C@@H]([NH2+]Cc2cnc(CC(C)C)s2)c2ccc(F)cc2C1 ZINC000185359117 822771116 /nfs/dbraw/zinc/77/11/16/822771116.db2.gz ZKKUGJXEGIOFRV-LJQANCHMSA-N 1 0 375.513 4.064 20 0 GIADRO CCOCCCNC(=O)C1CC[NH+](Cc2ccccc2Oc2ccccc2)CC1 ZINC000051738188 822776981 /nfs/dbraw/zinc/77/69/81/822776981.db2.gz PQPQDCZINTYOQJ-UHFFFAOYSA-N 1 0 396.531 4.234 20 0 GIADRO CC(C)[NH+](CCCNC(=O)Nc1cc(N2CCCC2=O)ccc1Cl)C(C)C ZINC000174356604 822777162 /nfs/dbraw/zinc/77/71/62/822777162.db2.gz FYCVYGYTTZCFEP-UHFFFAOYSA-N 1 0 394.947 4.097 20 0 GIADRO C[C@H](CCNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1cccc(C(F)(F)F)c1 ZINC000174364012 822778351 /nfs/dbraw/zinc/77/83/51/822778351.db2.gz IGULRSACESECPD-SJORKVTESA-N 1 0 397.485 4.326 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc(-n2cccn2)cc1)C(=O)Nc1nc2ccccc2s1 ZINC000174367698 822778899 /nfs/dbraw/zinc/77/88/99/822778899.db2.gz RPGCINWBHTYLCR-HUUCEWRRSA-N 1 0 391.500 4.160 20 0 GIADRO C[NH+](C)CCn1ccc2ccc(NC(=O)Cc3csc(-c4ccoc4)n3)cc21 ZINC000174369539 822779445 /nfs/dbraw/zinc/77/94/45/822779445.db2.gz LTDAAQAUWFBXAV-UHFFFAOYSA-N 1 0 394.500 4.101 20 0 GIADRO C[C@@H](C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)c1cn(C)c2ccccc12 ZINC000185405587 822779716 /nfs/dbraw/zinc/77/97/16/822779716.db2.gz CKGSENXTQXIJAS-LJQANCHMSA-N 1 0 389.543 4.405 20 0 GIADRO C[NH+](C)CCn1ccc2ccc(NC(=O)C[C@@H]3CCOc4ccccc43)cc21 ZINC000174370974 822779752 /nfs/dbraw/zinc/77/97/52/822779752.db2.gz UVAJSJJZVQBTCF-SFHVURJKSA-N 1 0 377.488 4.098 20 0 GIADRO Cc1cccc(N2CC[NH+](CCC(=O)Nc3ccccc3C(C)(F)F)CC2)c1 ZINC000456117142 822779792 /nfs/dbraw/zinc/77/97/92/822779792.db2.gz QNUDMAYGFCYRKU-UHFFFAOYSA-N 1 0 387.474 4.258 20 0 GIADRO Cn1cc([C@H]([NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)c2ccc(F)cc2)cn1 ZINC000185415323 822780799 /nfs/dbraw/zinc/78/07/99/822780799.db2.gz UJVBNORKFFNQRE-RTBURBONSA-N 1 0 394.277 4.279 20 0 GIADRO Cn1cc([C@@H]([NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)c2ccc(F)cc2)cn1 ZINC000185415303 822780843 /nfs/dbraw/zinc/78/08/43/822780843.db2.gz UJVBNORKFFNQRE-OALUTQOASA-N 1 0 394.277 4.279 20 0 GIADRO CC(C)CCn1nc(CNC(=O)c2sccc2C[NH+](C)C)c2ccccc21 ZINC000456126060 822781194 /nfs/dbraw/zinc/78/11/94/822781194.db2.gz VIKBBFKMVUNSGA-UHFFFAOYSA-N 1 0 384.549 4.136 20 0 GIADRO CN(Cc1ncc(-c2ccccc2F)o1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174395949 822783776 /nfs/dbraw/zinc/78/37/76/822783776.db2.gz IGEOATDPLITCAK-IBGZPJMESA-N 1 0 379.479 4.435 20 0 GIADRO CC1(C(=O)N2CCC(Cc3ccccn3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000185438834 822783886 /nfs/dbraw/zinc/78/38/86/822783886.db2.gz GBIXEQRFUHEHAB-UHFFFAOYSA-N 1 0 391.559 4.165 20 0 GIADRO CN(Cc1nnc(-c2cccc(Cl)c2)o1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174400452 822784600 /nfs/dbraw/zinc/78/46/00/822784600.db2.gz OCWJMMDLELAMSQ-GOSISDBHSA-N 1 0 396.922 4.344 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccccc1Oc1cccnc1 ZINC000051977437 822784748 /nfs/dbraw/zinc/78/47/48/822784748.db2.gz RKTUYYBCJWQJQV-LJQANCHMSA-N 1 0 377.444 4.034 20 0 GIADRO c1coc([C@@H](C[NH2+]Cc2ccc(Oc3cnccn3)cc2)N2CCCCC2)c1 ZINC000174402189 822785020 /nfs/dbraw/zinc/78/50/20/822785020.db2.gz PVDDEXWQLQRRAH-HXUWFJFHSA-N 1 0 378.476 4.179 20 0 GIADRO C[C@@H](C(=O)NC(C)(C)CCC[NH+](C)C)c1cccc(C(=O)c2ccccc2)c1 ZINC000456163341 822785517 /nfs/dbraw/zinc/78/55/17/822785517.db2.gz GEELYOOQMRQSCU-GOSISDBHSA-N 1 0 380.532 4.258 20 0 GIADRO C[C@H](C(=O)NC(C)(C)CCC[NH+](C)C)c1cccc(C(=O)c2ccccc2)c1 ZINC000456163342 822785556 /nfs/dbraw/zinc/78/55/56/822785556.db2.gz GEELYOOQMRQSCU-SFHVURJKSA-N 1 0 380.532 4.258 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)c1ccc(Br)c(Cl)c1F ZINC000456168220 822785934 /nfs/dbraw/zinc/78/59/34/822785934.db2.gz LFAODHONCZXSND-UHFFFAOYSA-N 1 0 379.701 4.092 20 0 GIADRO COc1cc(C)c([C@H](C)NC(=O)C[NH2+][C@@H](c2ccccc2)C(C)C)cc1OC ZINC000052006334 822786407 /nfs/dbraw/zinc/78/64/07/822786407.db2.gz ATWJDZQVCUZBCW-GAJHUEQPSA-N 1 0 384.520 4.176 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)c1cc(Cl)c(Br)cc1F ZINC000456184264 822787023 /nfs/dbraw/zinc/78/70/23/822787023.db2.gz GCVBQPNSUFSQRW-UHFFFAOYSA-N 1 0 379.701 4.092 20 0 GIADRO CCOc1cc(C[NH2+][C@H](C)c2ccc(Br)cc2O)ccc1OC ZINC000185453018 822786427 /nfs/dbraw/zinc/78/64/27/822786427.db2.gz IYSSPXKHKFXBTN-GFCCVEGCSA-N 1 0 380.282 4.413 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cc(C)ccc1OC ZINC000174408841 822786432 /nfs/dbraw/zinc/78/64/32/822786432.db2.gz HCOKPOZWJJXDBV-HXUWFJFHSA-N 1 0 381.520 4.380 20 0 GIADRO CSc1nc(C2CC2)nc(C)c1C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000174418897 822787451 /nfs/dbraw/zinc/78/74/51/822787451.db2.gz YNMLUXQKVANGJH-HNNXBMFYSA-N 1 0 398.576 4.025 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)CCCc1ccc(Br)s1 ZINC000456202593 822787795 /nfs/dbraw/zinc/78/77/95/822787795.db2.gz NACNDGWJIFEJCK-UHFFFAOYSA-N 1 0 375.376 4.070 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 ZINC000456206971 822788069 /nfs/dbraw/zinc/78/80/69/822788069.db2.gz RRBRMODENPBPCE-UHFFFAOYSA-N 1 0 388.533 4.037 20 0 GIADRO Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NC(C)(C)CCC[NH+](C)C)c12 ZINC000456209597 822788234 /nfs/dbraw/zinc/78/82/34/822788234.db2.gz VRKKUZFWADMMOO-UHFFFAOYSA-N 1 0 399.583 4.222 20 0 GIADRO OCC[C@H](C[NH2+]Cc1cc(Cl)ccc1OC[C@@H]1CCCO1)c1ccccc1 ZINC000174427021 822788557 /nfs/dbraw/zinc/78/85/57/822788557.db2.gz OQNQMXRRNQJBKO-NQIIRXRSSA-N 1 0 389.923 4.154 20 0 GIADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@H](C)c1ccc(Cl)c2ccccc21 ZINC000185487506 822789896 /nfs/dbraw/zinc/78/98/96/822789896.db2.gz RSXXPPFQYXQAMD-QVKFZJNVSA-N 1 0 388.939 4.464 20 0 GIADRO CC(C)(C)[N@@H+]1CCCN(Cn2nc(-c3ccc(Cl)cc3)[nH]c2=S)CC1 ZINC000052087413 822790301 /nfs/dbraw/zinc/79/03/01/822790301.db2.gz OMIVUDMXNBOIOO-UHFFFAOYSA-N 1 0 379.961 4.025 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)c3ccc(OC[C@@H]4CCCO4)cc3)ccc21 ZINC000456255988 822790581 /nfs/dbraw/zinc/79/05/81/822790581.db2.gz CHMCRUKPGXAIDD-UNMCSNQZSA-N 1 0 380.488 4.046 20 0 GIADRO Cc1cccc(C[NH2+]Cc2cccnc2Oc2cccc(S(C)(=O)=O)c2)c1C ZINC000174445314 822790625 /nfs/dbraw/zinc/79/06/25/822790625.db2.gz ACQIRVDBGWGPCL-UHFFFAOYSA-N 1 0 396.512 4.184 20 0 GIADRO Cc1ccc(C)n1-c1nc(CC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)cs1 ZINC000456256561 822790779 /nfs/dbraw/zinc/79/07/79/822790779.db2.gz CPKSSPNMPJELSF-FQEVSTJZSA-N 1 0 394.544 4.281 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)CSc3ccc(C(F)(F)F)cn3)ccc21 ZINC000456257845 822790857 /nfs/dbraw/zinc/79/08/57/822790857.db2.gz DCSOFHZQHBKNLN-MRXNPFEDSA-N 1 0 395.450 4.380 20 0 GIADRO CC(=O)c1ccc(OCCCC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)cc1 ZINC000456261159 822791289 /nfs/dbraw/zinc/79/12/89/822791289.db2.gz JEWJURINQZOWIC-JOCHJYFZSA-N 1 0 380.488 4.236 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)N[C@H](C)c2nc(C3CCCCC3)no2)c1 ZINC000174450576 822791476 /nfs/dbraw/zinc/79/14/76/822791476.db2.gz BZSBQCGRHZFLDD-MRXNPFEDSA-N 1 0 399.539 4.129 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)CCC(=O)c3ccc4c(c3)CCC4)ccc21 ZINC000456265155 822791686 /nfs/dbraw/zinc/79/16/86/822791686.db2.gz HQWVWYRBXOLLOS-QFIPXVFZSA-N 1 0 376.500 4.326 20 0 GIADRO CCO[C@@H](C)c1nc(CN(C)C(=O)c2cccc(C[NH+]3CCCC3)c2)cs1 ZINC000174456991 822792638 /nfs/dbraw/zinc/79/26/38/822792638.db2.gz PKXBCFQLTWHSIG-INIZCTEOSA-N 1 0 387.549 4.109 20 0 GIADRO CC(C)CC(=O)N[C@H](C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)c1ccccc1 ZINC000456278177 822793271 /nfs/dbraw/zinc/79/32/71/822793271.db2.gz OYKUMJIGSRLNOE-GGAORHGYSA-N 1 0 393.531 4.078 20 0 GIADRO CC(C)C(=O)N(C)Cc1ccc(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)cc1 ZINC000456280703 822793496 /nfs/dbraw/zinc/79/34/96/822793496.db2.gz QGZXDNIIIAYOOW-JOCHJYFZSA-N 1 0 393.531 4.102 20 0 GIADRO COc1cc(C[NH2+]CC(C)(C)C[C@H](C)O)ccc1OCc1ccc(F)cc1 ZINC000174464808 822793858 /nfs/dbraw/zinc/79/38/58/822793858.db2.gz YZLGEVKBYKZEKG-INIZCTEOSA-N 1 0 375.484 4.300 20 0 GIADRO CCOc1ccccc1OCCCC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000456284132 822794098 /nfs/dbraw/zinc/79/40/98/822794098.db2.gz SVPBUUOEBCZZCO-HXUWFJFHSA-N 1 0 382.504 4.432 20 0 GIADRO Cc1cc(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)nn1-c1ccc(F)cc1F ZINC000456286293 822794349 /nfs/dbraw/zinc/79/43/49/822794349.db2.gz VEMFIDPQRMEUFN-HXUWFJFHSA-N 1 0 396.441 4.260 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)NCC(C)(C)c2ccc(Cl)c(Cl)c2)CC[N@@H+]1C ZINC000174468941 822794448 /nfs/dbraw/zinc/79/44/48/822794448.db2.gz HVZUKIFMUJDOEV-ZFWWWQNUSA-N 1 0 386.367 4.395 20 0 GIADRO Cc1cc(Sc2ncccn2)ccc1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000174475940 822795012 /nfs/dbraw/zinc/79/50/12/822795012.db2.gz XZSGCPLLEPURRG-UHFFFAOYSA-N 1 0 378.501 4.250 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)c3cccc(Br)c3F)ccc21 ZINC000456296392 822795375 /nfs/dbraw/zinc/79/53/75/822795375.db2.gz CPOHQOPHEJLYEQ-INIZCTEOSA-N 1 0 377.257 4.389 20 0 GIADRO CCOc1ccc([C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C(C)C)cc1OCC ZINC000174479849 822795249 /nfs/dbraw/zinc/79/52/49/822795249.db2.gz QWXDXFFXFSBWPF-QFIPXVFZSA-N 1 0 390.568 4.418 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(-c3ccc(OC)cc3F)cc2F)C1 ZINC000174480614 822795315 /nfs/dbraw/zinc/79/53/15/822795315.db2.gz CRAYHIQVVKXDNX-OAHLLOKOSA-N 1 0 388.458 4.054 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccccc2OCc2ccccc2Cl)C1 ZINC000174494163 822796501 /nfs/dbraw/zinc/79/65/01/822796501.db2.gz UKAZTKINXLEAGF-KRWDZBQOSA-N 1 0 386.923 4.333 20 0 GIADRO C[N@H+](CC(=O)NCc1cccc(COCc2ccco2)c1)C1CCCCCC1 ZINC000052331708 822796612 /nfs/dbraw/zinc/79/66/12/822796612.db2.gz ONKIRXKUTIMXJS-UHFFFAOYSA-N 1 0 384.520 4.267 20 0 GIADRO Cc1nc(-c2ccccc2)oc1C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000456316435 822797686 /nfs/dbraw/zinc/79/76/86/822797686.db2.gz ADUVILDISHOTBM-GOSISDBHSA-N 1 0 389.499 4.244 20 0 GIADRO CC[C@@H](NC(=O)N[C@@H](C)C[NH+]1CCCCCC1)c1nc(C(F)(F)F)cs1 ZINC000185573440 822798041 /nfs/dbraw/zinc/79/80/41/822798041.db2.gz HMDZZAXMMOLMHM-QWHCGFSZSA-N 1 0 392.491 4.177 20 0 GIADRO C[C@H]1CN(C(=O)[C@H]2CCCC[C@H]2C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000456331698 822799236 /nfs/dbraw/zinc/79/92/36/822799236.db2.gz KMYMBHYYOGYBRR-NZSAHSFTSA-N 1 0 382.470 4.336 20 0 GIADRO CCc1cnc(CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)s1 ZINC000174512053 822799312 /nfs/dbraw/zinc/79/93/12/822799312.db2.gz KDIFAYAJXATYGP-INIZCTEOSA-N 1 0 392.594 4.039 20 0 GIADRO O=C([C@H]1C[C@@H]1c1ccccc1OC(F)(F)F)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174522121 822800537 /nfs/dbraw/zinc/80/05/37/822800537.db2.gz BCBAKYUNAUGTMY-NXHRZFHOSA-N 1 0 396.453 4.023 20 0 GIADRO C[C@H]1CN(C(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000456351903 822801184 /nfs/dbraw/zinc/80/11/84/822801184.db2.gz XIWAXOKFDHTJHK-QRQLOZEOSA-N 1 0 382.470 4.336 20 0 GIADRO C[C@@H]1CN(C(=O)CCCCC(=O)c2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC000456352058 822801351 /nfs/dbraw/zinc/80/13/51/822801351.db2.gz XVTNKSYSKZPIBR-NRFANRHFSA-N 1 0 392.543 4.410 20 0 GIADRO C[C@](O)(C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccco1 ZINC000174527720 822801447 /nfs/dbraw/zinc/80/14/47/822801447.db2.gz FZDPUXBDWPVBDM-DEOSSOPVSA-N 1 0 387.483 4.189 20 0 GIADRO O=C(c1cc(Br)ccc1Cl)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174534060 822802347 /nfs/dbraw/zinc/80/23/47/822802347.db2.gz ZGZAVGRUURFPLG-CYBMUJFWSA-N 1 0 385.733 4.051 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(Cl)c(OCCC(C)C)c(OC)c2)C1 ZINC000174536562 822802591 /nfs/dbraw/zinc/80/25/91/822802591.db2.gz DRONXOZJSARRQP-INIZCTEOSA-N 1 0 396.959 4.187 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@H](C)C(=O)Nc1ccccc1C ZINC000185619625 822803011 /nfs/dbraw/zinc/80/30/11/822803011.db2.gz CJEJZAILYZQKBF-GXTWGEPZSA-N 1 0 382.430 4.048 20 0 GIADRO Cc1ccc(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc1Oc1ccncc1 ZINC000174543416 822803206 /nfs/dbraw/zinc/80/32/06/822803206.db2.gz PRSQWSGFUPTHTA-LJQANCHMSA-N 1 0 379.504 4.130 20 0 GIADRO COc1ccc(C[NH2+][C@H](C)Cc2c(C)nn(C)c2C)cc1OCc1ccccc1 ZINC000174543443 822803239 /nfs/dbraw/zinc/80/32/39/822803239.db2.gz VFULRQLTKMWWQR-QGZVFWFLSA-N 1 0 393.531 4.345 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)N[C@@H](CC(F)(F)F)c1ccccc1)c1ccc(F)cc1 ZINC000052555035 822803448 /nfs/dbraw/zinc/80/34/48/822803448.db2.gz XOTRJNJMZOETKW-ZWKOTPCHSA-N 1 0 397.416 4.421 20 0 GIADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N[C@H](CC(F)(F)F)c1ccccc1 ZINC000052557841 822803494 /nfs/dbraw/zinc/80/34/94/822803494.db2.gz BEHLTBXYPHBXRC-RTBURBONSA-N 1 0 393.453 4.152 20 0 GIADRO CC1CC[NH+]([C@H](CNC(=O)N(C)Cc2cccc(O)c2)c2ccccc2)CC1 ZINC000052582078 822804339 /nfs/dbraw/zinc/80/43/39/822804339.db2.gz SWXHAVAFIIMYKY-JOCHJYFZSA-N 1 0 381.520 4.007 20 0 GIADRO COc1ccc(Br)cc1CN1CCC[C@H](c2nncn2C(C)C)C1 ZINC000174554464 822804350 /nfs/dbraw/zinc/80/43/50/822804350.db2.gz BGUPUTXZRCIFLR-AWEZNQCLSA-N 1 0 393.329 4.010 20 0 GIADRO CC[C@@H](CNC(=O)CCCCC(=O)c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000052591442 822804633 /nfs/dbraw/zinc/80/46/33/822804633.db2.gz FFPLEODXWMOKLA-QHCPKHFHSA-N 1 0 392.543 4.383 20 0 GIADRO CCOc1ccc(OCC[NH2+][C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)cc1 ZINC000185635752 822804869 /nfs/dbraw/zinc/80/48/69/822804869.db2.gz WJOQSECXXCEAQJ-ZDUSSCGKSA-N 1 0 385.430 4.191 20 0 GIADRO Cc1ccc(OCc2ccc(C(=O)N3CC[C@@H](C[NH+]4CCCCC4)C3)o2)c(C)c1 ZINC000174561311 822805174 /nfs/dbraw/zinc/80/51/74/822805174.db2.gz CNEYBOZUUQFQAQ-FQEVSTJZSA-N 1 0 396.531 4.423 20 0 GIADRO N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@@H]2c2cc(F)cc(Br)c2)cc1 ZINC000185640544 822805733 /nfs/dbraw/zinc/80/57/33/822805733.db2.gz MGEOFKJBRRDYMA-RTBURBONSA-N 1 0 389.268 4.330 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2c(F)cccc2F)cc1OCC ZINC000052659692 822806499 /nfs/dbraw/zinc/80/64/99/822806499.db2.gz JLRVEXPPOWYMSW-UONOGXRCSA-N 1 0 392.446 4.440 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(F)cc2F)cc1OCC ZINC000052659815 822806503 /nfs/dbraw/zinc/80/65/03/822806503.db2.gz IPUQQEPMQMTFMO-ZIAGYGMSSA-N 1 0 392.446 4.440 20 0 GIADRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2)cc1OC ZINC000052660273 822806517 /nfs/dbraw/zinc/80/65/17/822806517.db2.gz FVLHLTOSSQUNLI-QWHCGFSZSA-N 1 0 396.409 4.400 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(Cl)c1F ZINC000174572235 822806586 /nfs/dbraw/zinc/80/65/86/822806586.db2.gz WRKRBQJLHPHSNW-INIZCTEOSA-N 1 0 375.875 4.465 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(Cl)c1F ZINC000174572245 822806599 /nfs/dbraw/zinc/80/65/99/822806599.db2.gz WRKRBQJLHPHSNW-MRXNPFEDSA-N 1 0 375.875 4.465 20 0 GIADRO COc1ccc([C@@H](CNC(=O)N(C)Cc2sccc2C)[NH+]2CCCC2)cc1 ZINC000052661795 822806802 /nfs/dbraw/zinc/80/68/02/822806802.db2.gz BEWQTCLBYBFKEC-LJQANCHMSA-N 1 0 387.549 4.044 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc(C)cc1C ZINC000185654432 822807131 /nfs/dbraw/zinc/80/71/31/822807131.db2.gz NHTIUAOYPSQYAL-ZFWWWQNUSA-N 1 0 396.457 4.357 20 0 GIADRO CCc1cccc(C)c1NC(=O)C[NH2+][C@@H](C)c1c(C)nn(CC(F)(F)F)c1C ZINC000185654378 822807149 /nfs/dbraw/zinc/80/71/49/822807149.db2.gz UEPYKKWCSBZJFI-ZDUSSCGKSA-N 1 0 396.457 4.222 20 0 GIADRO CCc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1c(C)nn(CC(F)(F)F)c1C ZINC000185654074 822807222 /nfs/dbraw/zinc/80/72/22/822807222.db2.gz BVOCPLGYAMZSHN-JSGCOSHPSA-N 1 0 396.457 4.302 20 0 GIADRO COC(=O)COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(Br)cc2)cc1 ZINC000185657688 822807540 /nfs/dbraw/zinc/80/75/40/822807540.db2.gz UERPBCGPCHHNFI-KBPBESRZSA-N 1 0 392.293 4.413 20 0 GIADRO COC(=O)COc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(Br)c2)cc1 ZINC000185686331 822809872 /nfs/dbraw/zinc/80/98/72/822809872.db2.gz JFRHNTRFAJQHMZ-KBPBESRZSA-N 1 0 392.293 4.413 20 0 GIADRO COC(=O)COc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(Br)c2)cc1 ZINC000185686350 822810013 /nfs/dbraw/zinc/81/00/13/822810013.db2.gz JFRHNTRFAJQHMZ-KGLIPLIRSA-N 1 0 392.293 4.413 20 0 GIADRO CCCc1ncc(CNC(=O)[C@@H](c2cccc(C(F)(F)F)c2)[NH+](CC)CC)o1 ZINC000456506278 822811079 /nfs/dbraw/zinc/81/10/79/822811079.db2.gz QKXCDQFZVRTRAD-GOSISDBHSA-N 1 0 397.441 4.345 20 0 GIADRO OC1(c2cccnc2)CCC([NH2+]Cc2ccc(-c3ccncc3)cc2F)CC1 ZINC000185701790 822811700 /nfs/dbraw/zinc/81/17/00/822811700.db2.gz YIAHXHOLLSATSX-UHFFFAOYSA-N 1 0 377.463 4.203 20 0 GIADRO OC1(c2cccnc2)CCC([NH2+]Cc2ccc(Cl)cc2Br)CC1 ZINC000185701821 822811717 /nfs/dbraw/zinc/81/17/17/822811717.db2.gz WJUNAIFGXLFQOK-UHFFFAOYSA-N 1 0 395.728 4.418 20 0 GIADRO CC(C)[C@@H](NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000174608451 822811926 /nfs/dbraw/zinc/81/19/26/822811926.db2.gz WKEAXLOUVAZNMZ-QZTJIDSGSA-N 1 0 381.442 4.058 20 0 GIADRO CCc1cccc(CC)c1NC(=O)[C@H](C)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185706868 822812344 /nfs/dbraw/zinc/81/23/44/822812344.db2.gz JFOQZDDXJYQDNT-LVCYWYKZSA-N 1 0 385.596 4.381 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)N3CC[C@H](C)C[C@H]3c3ccco3)c2)CC1 ZINC000185714464 822813406 /nfs/dbraw/zinc/81/34/06/822813406.db2.gz XLOPVXZMBXYVEN-RXVVDRJESA-N 1 0 396.535 4.427 20 0 GIADRO Brc1cncc(C[NH2+]CC2(CCOCc3ccccc3)CC2)c1 ZINC000185714557 822813434 /nfs/dbraw/zinc/81/34/34/822813434.db2.gz RXHANARSGJULBY-UHFFFAOYSA-N 1 0 375.310 4.321 20 0 GIADRO CC[NH+]1CCN(Cc2ccc(NC(=O)[C@@H]3CCC[C@H](C(F)(F)F)C3)cc2)CC1 ZINC000052877302 822813810 /nfs/dbraw/zinc/81/38/10/822813810.db2.gz SVIFRILWUHCIQC-MSOLQXFVSA-N 1 0 397.485 4.131 20 0 GIADRO COc1ccccc1[C@H](C[NH2+]Cc1cn(C)nc1-c1ccccc1)OC(C)C ZINC000185718362 822814000 /nfs/dbraw/zinc/81/40/00/822814000.db2.gz CKJXXWBZRITFNF-QFIPXVFZSA-N 1 0 379.504 4.352 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)NCC(C)(C)c2cccc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000174631510 822814816 /nfs/dbraw/zinc/81/48/16/822814816.db2.gz KKBHZDXERSEKFB-RHSMWYFYSA-N 1 0 385.474 4.107 20 0 GIADRO O=C([C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000456552212 822815389 /nfs/dbraw/zinc/81/53/89/822815389.db2.gz DOGNSODQDMPEFJ-NQIIRXRSSA-N 1 0 382.479 4.385 20 0 GIADRO O=C(NCC1CC1)[C@H]1CCC[N@@H+](Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000052930005 822816042 /nfs/dbraw/zinc/81/60/42/822816042.db2.gz YRAGQLNWPFSVAS-INIZCTEOSA-N 1 0 389.952 4.202 20 0 GIADRO Cn1cc(CC[NH2+]Cc2ccc(Oc3cnccn3)cc2)c2ccc(F)cc21 ZINC000185746503 822817117 /nfs/dbraw/zinc/81/71/17/822817117.db2.gz IIIJQSHLFSDOFT-UHFFFAOYSA-N 1 0 376.435 4.232 20 0 GIADRO COc1ccc(C[NH2+]C2(c3cccc(F)c3)CCOCC2)cc1Br ZINC000174645717 822817154 /nfs/dbraw/zinc/81/71/54/822817154.db2.gz WBPAVPGMRWIGEO-UHFFFAOYSA-N 1 0 394.284 4.392 20 0 GIADRO Cc1ccc(-c2noc([C@H](C)N[C@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)n2)cc1F ZINC000185748966 822817508 /nfs/dbraw/zinc/81/75/08/822817508.db2.gz OACHUQOGBZXQNT-SOLBZPMBSA-N 1 0 386.515 4.488 20 0 GIADRO COc1ccc([C@H]([NH2+]C2CCC(C)CC2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000174650176 822817802 /nfs/dbraw/zinc/81/78/02/822817802.db2.gz CJFGDLFXSSMBAG-NZBFNNPHSA-N 1 0 387.545 4.356 20 0 GIADRO C[N@H+](Cc1cnc(-c2ccccc2)s1)C1CCN(CCc2ccccn2)CC1 ZINC000174656969 822819119 /nfs/dbraw/zinc/81/91/19/822819119.db2.gz YSHMBXDFEQYDMK-UHFFFAOYSA-N 1 0 392.572 4.344 20 0 GIADRO CCCCSc1ccc(Cl)cc1C(=O)NC1CC[NH+](CCCOC)CC1 ZINC000185765758 822819125 /nfs/dbraw/zinc/81/91/25/822819125.db2.gz BPUAXRLOCXTSHD-UHFFFAOYSA-N 1 0 399.000 4.463 20 0 GIADRO Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000174659661 822819735 /nfs/dbraw/zinc/81/97/35/822819735.db2.gz JXCONRQLWHOXKX-CVEARBPZSA-N 1 0 375.925 4.081 20 0 GIADRO Cc1csc2nc(C[N@@H+]3CCC[C@@H]3Cc3c(F)cccc3Cl)cc(=O)n12 ZINC000053086085 822820955 /nfs/dbraw/zinc/82/09/55/822820955.db2.gz QRCJYXDIOXCWIT-CQSZACIVSA-N 1 0 391.899 4.064 20 0 GIADRO CCC[N@H+](CC)CCNC(=O)c1ccccc1SCc1csc(C)n1 ZINC000174673610 822821612 /nfs/dbraw/zinc/82/16/12/822821612.db2.gz NBWWOHKAFMOQLY-UHFFFAOYSA-N 1 0 377.579 4.206 20 0 GIADRO C[N@H+](Cc1nnc(-c2ccc(Cl)cc2)o1)[C@H]1CCCN(c2ccccc2)C1 ZINC000174676921 822822049 /nfs/dbraw/zinc/82/20/49/822822049.db2.gz KWTGPLNPNRNOHC-IBGZPJMESA-N 1 0 382.895 4.491 20 0 GIADRO C[N@H+](Cc1nnc(-c2ccccc2Cl)o1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000174677688 822822213 /nfs/dbraw/zinc/82/22/13/822822213.db2.gz UKXUTCUGKRKACW-QGZVFWFLSA-N 1 0 382.895 4.491 20 0 GIADRO CC(C)(Cc1ccc(C(F)(F)F)cc1)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000456685086 822822405 /nfs/dbraw/zinc/82/24/05/822822405.db2.gz QBXCHOVHBLWZPO-UHFFFAOYSA-N 1 0 382.470 4.407 20 0 GIADRO CC[C@H](Cc1cccc(Br)c1)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000456685072 822822462 /nfs/dbraw/zinc/82/24/62/822822462.db2.gz PXNPZXSWSPMMAF-MRXNPFEDSA-N 1 0 393.369 4.151 20 0 GIADRO CC(=O)c1ccc(Oc2ccc(C(=O)NC3CC[NH+](C4CCC4)CC3)cc2)cc1 ZINC000456685662 822822554 /nfs/dbraw/zinc/82/25/54/822822554.db2.gz QZCOXDDYISKMGC-UHFFFAOYSA-N 1 0 392.499 4.428 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)c1csc(-c2ccccc2Cl)n1 ZINC000456687211 822822708 /nfs/dbraw/zinc/82/27/08/822822708.db2.gz WKNLCGHOUCFMCE-UHFFFAOYSA-N 1 0 375.925 4.210 20 0 GIADRO CCO[C@@H](C)c1ncc(C(=O)N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)s1 ZINC000456690509 822822998 /nfs/dbraw/zinc/82/29/98/822822998.db2.gz JGOZEDKKFZVVDZ-HNNXBMFYSA-N 1 0 381.586 4.213 20 0 GIADRO Cc1c2cc(Br)ccc2oc1C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000456691307 822823081 /nfs/dbraw/zinc/82/30/81/822823081.db2.gz CNOCRYOHYRNKIM-UHFFFAOYSA-N 1 0 391.309 4.250 20 0 GIADRO O=C([C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1C[C@@H]2CCC(=O)c3cccc1c32 ZINC000185821161 822824268 /nfs/dbraw/zinc/82/42/68/822824268.db2.gz CDPMJDWDZQLIBF-ZWKOTPCHSA-N 1 0 392.474 4.145 20 0 GIADRO C[NH+]1CCC(Nc2ccccc2NC(=O)[C@@H]2C[C@]23CCc2ccccc23)CC1 ZINC000174694708 822824433 /nfs/dbraw/zinc/82/44/33/822824433.db2.gz RKOHKOOMOMYJNO-RDPSFJRHSA-N 1 0 375.516 4.035 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)CCc3ccc([C@H]4C[C@@H]4C)o3)c(C)c2)CC1 ZINC000053175628 822824699 /nfs/dbraw/zinc/82/46/99/822824699.db2.gz ORCYJZCFYKUOAX-UWJYYQICSA-N 1 0 395.547 4.425 20 0 GIADRO CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H]2c2cccc(Br)c2)CC1 ZINC000174709483 822826732 /nfs/dbraw/zinc/82/67/32/822826732.db2.gz YOWNNSGUUTWCRK-GOSISDBHSA-N 1 0 379.342 4.233 20 0 GIADRO COC(C)(C)C[C@@H](C)[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000185845229 822826793 /nfs/dbraw/zinc/82/67/93/822826793.db2.gz MHJWNVDOFSGCNW-SECBINFHSA-N 1 0 394.151 4.087 20 0 GIADRO Cc1ccc(-c2cnc(CCC(=O)N(CC(C)C)C3CC[NH+](C)CC3)o2)cc1 ZINC000053231161 822827179 /nfs/dbraw/zinc/82/71/79/822827179.db2.gz NOQABWUTCSBMJJ-UHFFFAOYSA-N 1 0 383.536 4.161 20 0 GIADRO COc1cccc(CC2(C(=O)NC3CC[NH+](C4CCC4)CC3)CCCCC2)c1 ZINC000456726632 822827213 /nfs/dbraw/zinc/82/72/13/822827213.db2.gz JUZJVSQILWJKLG-UHFFFAOYSA-N 1 0 384.564 4.321 20 0 GIADRO COc1ccc([C@@H](CNC(=O)Nc2ccccc2SC)[NH+]2CCCC2)cc1 ZINC000053246451 822827725 /nfs/dbraw/zinc/82/77/25/822827725.db2.gz VRGHSUQUNUTPCY-LJQANCHMSA-N 1 0 385.533 4.376 20 0 GIADRO O=S1(=O)CCCN1c1ccc(C[NH2+]Cc2ccc(-c3ccccc3)cc2)cc1 ZINC000185860184 822827955 /nfs/dbraw/zinc/82/79/55/822827955.db2.gz ZACOMLLIWNMLKB-UHFFFAOYSA-N 1 0 392.524 4.183 20 0 GIADRO C[C@@H](CC(=O)NC1CC[NH+](C2CCC2)CC1)c1ccc(F)c(Br)c1 ZINC000456743816 822828869 /nfs/dbraw/zinc/82/88/69/822828869.db2.gz YLHGYTAREFVFAU-ZDUSSCGKSA-N 1 0 397.332 4.215 20 0 GIADRO Cc1oc(-c2ccccc2)nc1CC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000053304050 822829615 /nfs/dbraw/zinc/82/96/15/822829615.db2.gz ZQHPTPPGJJVFES-IAGOWNOFSA-N 1 0 383.536 4.065 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2cccc(NC(=O)c3ccco3)c2)C1 ZINC000053304919 822829654 /nfs/dbraw/zinc/82/96/54/822829654.db2.gz BJIXIPFRRAWRJF-CALCHBBNSA-N 1 0 397.519 4.018 20 0 GIADRO C[N@H+](CCNC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)Cc1ccccc1 ZINC000053349506 822831164 /nfs/dbraw/zinc/83/11/64/822831164.db2.gz ZBOOOORROVZOQP-UHFFFAOYSA-N 1 0 397.906 4.176 20 0 GIADRO COc1ccccc1Oc1ccc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000174749845 822832117 /nfs/dbraw/zinc/83/21/17/822832117.db2.gz GSRMEKXPQKWHKX-SJLPKXTDSA-N 1 0 383.492 4.434 20 0 GIADRO CC[C@@H](NC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1nc(C)cs1 ZINC000174762286 822833782 /nfs/dbraw/zinc/83/37/82/822833782.db2.gz HHGPPARWURPJKR-RBUKOAKNSA-N 1 0 386.565 4.066 20 0 GIADRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)Nc3cccc(-c4cc[nH]n4)c3)C2)CC1 ZINC000185927752 822834420 /nfs/dbraw/zinc/83/44/20/822834420.db2.gz OXNRXUYOVVTEIY-SFHVURJKSA-N 1 0 381.524 4.053 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Nc1cccc(-c2cc[nH]n2)c1 ZINC000185927589 822834448 /nfs/dbraw/zinc/83/44/48/822834448.db2.gz YKAZIXYOBISGDF-UHFFFAOYSA-N 1 0 377.492 4.192 20 0 GIADRO COc1ccccc1Oc1ccc(CNC(=O)C2CC[NH+](C(C)C)CC2)cc1 ZINC000174778964 822835758 /nfs/dbraw/zinc/83/57/58/822835758.db2.gz NNSZFHIHFHBOKD-UHFFFAOYSA-N 1 0 382.504 4.224 20 0 GIADRO CC(C)COc1ccc(C(C)(C)CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000174786599 822836780 /nfs/dbraw/zinc/83/67/80/822836780.db2.gz FSOZMNJGOPLFOO-QUCCMNQESA-N 1 0 389.584 4.123 20 0 GIADRO C[C@@H](NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)c1nc(-c2ccccc2)cs1 ZINC000174791366 822837481 /nfs/dbraw/zinc/83/74/81/822837481.db2.gz BGIIHEFGQHSKQZ-AEFFLSMTSA-N 1 0 386.565 4.387 20 0 GIADRO CC[C@@H]([NH2+]CCOc1ccccc1C(=O)OC)c1nc(C(F)(F)F)cs1 ZINC000185959176 822837582 /nfs/dbraw/zinc/83/75/82/822837582.db2.gz JIHGQRXHIIVFSU-GFCCVEGCSA-N 1 0 388.411 4.068 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)NC[C@H](c1ccccc1)C(F)(F)F ZINC000185962767 822838207 /nfs/dbraw/zinc/83/82/07/822838207.db2.gz CSSDVZHHXCFSLW-IAGOWNOFSA-N 1 0 395.425 4.062 20 0 GIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=S)Nc2ccc(OC(F)F)cc2)C1 ZINC000053528956 822839232 /nfs/dbraw/zinc/83/92/32/822839232.db2.gz MSRYANAYOGMJBF-YOEHRIQHSA-N 1 0 391.487 4.410 20 0 GIADRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)Nc1cccc(-c2cc[nH]n2)c1 ZINC000185970706 822839428 /nfs/dbraw/zinc/83/94/28/822839428.db2.gz DUZHWSGEVNRBMJ-UHFFFAOYSA-N 1 0 389.503 4.110 20 0 GIADRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N1CC=C(c2ccc(O)cc2)CC1 ZINC000053540712 822839863 /nfs/dbraw/zinc/83/98/63/822839863.db2.gz ZCOUQMQLTPVMAB-HSZRJFAPSA-N 1 0 391.515 4.028 20 0 GIADRO CC[C@@H]([NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1nc(C(F)(F)F)cs1 ZINC000185976987 822840042 /nfs/dbraw/zinc/84/00/42/822840042.db2.gz VPDLQKGBDAAXNL-NWDGAFQWSA-N 1 0 393.475 4.460 20 0 GIADRO CN(Cc1nc2ccccc2s1)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000053547697 822840331 /nfs/dbraw/zinc/84/03/31/822840331.db2.gz RFUBWYVYZCVUMV-LJQANCHMSA-N 1 0 394.544 4.275 20 0 GIADRO CN(Cc1cccs1)C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000053553493 822840805 /nfs/dbraw/zinc/84/08/05/822840805.db2.gz JCGMFHCKIBKASX-GOSISDBHSA-N 1 0 377.941 4.380 20 0 GIADRO CCCC[C@H](CC)CNC(=S)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000053585054 822841779 /nfs/dbraw/zinc/84/17/79/822841779.db2.gz KUFQQZGXJFKWQM-IBGZPJMESA-N 1 0 386.609 4.157 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)Nc1cccc(-c2cc[nH]n2)c1 ZINC000185993446 822841919 /nfs/dbraw/zinc/84/19/19/822841919.db2.gz SBQMBXZZJLZPPR-SFHVURJKSA-N 1 0 389.503 4.205 20 0 GIADRO O=C(c1ccccc1)N1CCC([NH2+]Cc2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000053601676 822842141 /nfs/dbraw/zinc/84/21/41/822842141.db2.gz CJWXDDOQZIEUNM-UHFFFAOYSA-N 1 0 378.447 4.480 20 0 GIADRO Cc1cc(C[NH2+]C2CCN(C(=O)c3ccccc3)CC2)cc(C)c1OC(F)F ZINC000053601666 822842192 /nfs/dbraw/zinc/84/21/92/822842192.db2.gz WECFRRONCMEKGZ-UHFFFAOYSA-N 1 0 388.458 4.299 20 0 GIADRO Cc1ccc(SCC(F)(F)F)c(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000174823749 822842226 /nfs/dbraw/zinc/84/22/26/822842226.db2.gz FVOZATNDPZOIEE-KGLIPLIRSA-N 1 0 387.471 4.350 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N(Cc1ccco1)Cc1cccs1 ZINC000053602987 822842301 /nfs/dbraw/zinc/84/23/01/822842301.db2.gz LQWKEZLVYAPXIT-LJQANCHMSA-N 1 0 399.516 4.483 20 0 GIADRO C[N@H+](Cc1coc(-c2cccs2)n1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000174826902 822842548 /nfs/dbraw/zinc/84/25/48/822842548.db2.gz LRRQKHUPTPYWFJ-UHFFFAOYSA-N 1 0 377.510 4.234 20 0 GIADRO Cc1nc2ccccc2n1CC(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000053619233 822842994 /nfs/dbraw/zinc/84/29/94/822842994.db2.gz UYANEEQWDACWNQ-UHFFFAOYSA-N 1 0 376.504 4.215 20 0 GIADRO CC(C)(C)[C@@H]([NH2+]CC(=O)Nc1cccc(C(=O)NC2CC2)c1)c1ccc(F)cc1 ZINC000053644127 822843748 /nfs/dbraw/zinc/84/37/48/822843748.db2.gz IAKXDISDTZNDSF-NRFANRHFSA-N 1 0 397.494 4.033 20 0 GIADRO CC(C)C[C@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1cccs1 ZINC000186036370 822846026 /nfs/dbraw/zinc/84/60/26/822846026.db2.gz CKVLONYJXPGNKM-SFHVURJKSA-N 1 0 378.563 4.165 20 0 GIADRO COc1cccc(COCC(=O)Nc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)c1 ZINC000053721978 822846238 /nfs/dbraw/zinc/84/62/38/822846238.db2.gz GIAROKRDXIVUNJ-SFHVURJKSA-N 1 0 382.504 4.225 20 0 GIADRO Cc1[nH]c2ccccc2c1C1CC[NH+]([C@H](C)C(=O)Nc2ccnn2C(C)C)CC1 ZINC000053742989 822846775 /nfs/dbraw/zinc/84/67/75/822846775.db2.gz ZTFBQDMWKKSWIC-QGZVFWFLSA-N 1 0 393.535 4.460 20 0 GIADRO CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)NC(C)(C)C[NH+]2CCCC2)c1 ZINC000457047819 822848027 /nfs/dbraw/zinc/84/80/27/822848027.db2.gz IRHBBXYZKSVARA-UHFFFAOYSA-N 1 0 393.959 4.319 20 0 GIADRO C[C@@H]([NH2+]CCc1nc2cc(F)ccc2n1C)c1ccc(Br)cc1O ZINC000186061307 822848334 /nfs/dbraw/zinc/84/83/34/822848334.db2.gz CGNQALZDXJMWKY-LLVKDONJSA-N 1 0 392.272 4.074 20 0 GIADRO CN(C(=O)c1ccc(C(C)(F)F)cc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457071535 822849931 /nfs/dbraw/zinc/84/99/31/822849931.db2.gz QCUKGDRPUQGVMV-UHFFFAOYSA-N 1 0 378.385 4.287 20 0 GIADRO Cc1nc(C(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)c(-c2ccccc2)o1 ZINC000457075656 822850422 /nfs/dbraw/zinc/85/04/22/822850422.db2.gz WUWMXNIJTBXLDI-UHFFFAOYSA-N 1 0 395.425 4.139 20 0 GIADRO CN(C(=O)CCCc1cc(F)ccc1F)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457080646 822851005 /nfs/dbraw/zinc/85/10/05/822851005.db2.gz GNSCPVGPOGWGAX-UHFFFAOYSA-N 1 0 392.412 4.163 20 0 GIADRO CN(C(=O)c1cc(F)c(Cl)cc1F)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457081133 822851012 /nfs/dbraw/zinc/85/10/12/822851012.db2.gz HNBKSMAVRIXZKS-UHFFFAOYSA-N 1 0 384.776 4.107 20 0 GIADRO C[C@@H]1CCc2c(C(=O)N(C)C3CC[NH+](CCC(F)(F)F)CC3)csc2C1 ZINC000457081881 822851102 /nfs/dbraw/zinc/85/11/02/822851102.db2.gz HYEGHHDKRPBKSL-CYBMUJFWSA-N 1 0 388.499 4.362 20 0 GIADRO CCOc1ccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c2ncccc12 ZINC000186096130 822851263 /nfs/dbraw/zinc/85/12/63/822851263.db2.gz XZOFZSKFOREJGN-UZLBHIALSA-N 1 0 394.519 4.114 20 0 GIADRO Cc1csc([C@H](NC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)C2CC2)n1 ZINC000174890122 822851340 /nfs/dbraw/zinc/85/13/40/822851340.db2.gz KZYRQEDZVNCUDN-CRAIPNDOSA-N 1 0 386.565 4.331 20 0 GIADRO CC(C)OCc1ccc(C(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000457083797 822851316 /nfs/dbraw/zinc/85/13/16/822851316.db2.gz KYPXACLOXWFGLT-UHFFFAOYSA-N 1 0 386.458 4.100 20 0 GIADRO CC(C)[NH+]1CCC(C(=O)Nc2cccc(C[S@@](=O)c3ccccc3)c2)CC1 ZINC000174894983 822851937 /nfs/dbraw/zinc/85/19/37/822851937.db2.gz HHJOOUSRACSHLB-HHHXNRCGSA-N 1 0 384.545 4.053 20 0 GIADRO Cc1ccc2c(CC(=O)N(C)C3CC[NH+](CCC(F)(F)F)CC3)coc2c1C ZINC000457088230 822852001 /nfs/dbraw/zinc/85/20/01/822852001.db2.gz QQYXPMOIINLKPE-UHFFFAOYSA-N 1 0 396.453 4.467 20 0 GIADRO CN(C(=O)Cc1cccc(C(F)(F)F)c1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457088360 822852026 /nfs/dbraw/zinc/85/20/26/822852026.db2.gz RPTBOSHZJPCERY-UHFFFAOYSA-N 1 0 396.375 4.123 20 0 GIADRO Cc1ccc(S[C@H](C)C(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000457088629 822852256 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822867020 /nfs/dbraw/zinc/86/70/20/822867020.db2.gz CEVSBTSNFMTWCL-HXUWFJFHSA-N 1 0 399.560 4.395 20 0 GIADRO Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)NCc2cccc(C[NH+](C)C)c2)cc1 ZINC000175012293 822867097 /nfs/dbraw/zinc/86/70/97/822867097.db2.gz BLXFPTPZECSBBS-XZOQPEGZSA-N 1 0 395.547 4.024 20 0 GIADRO O=C(COc1ccc(Cl)cc1)NC1CCC([NH2+][C@@H]2CCC[C@H](F)C2)CC1 ZINC000568983401 822867436 /nfs/dbraw/zinc/86/74/36/822867436.db2.gz IYZITTAHWIQYAB-FCCDEINASA-N 1 0 382.907 4.017 20 0 GIADRO COc1ccc([C@H](C)CC(=O)Nc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)cc1 ZINC000186272642 822868154 /nfs/dbraw/zinc/86/81/54/822868154.db2.gz JLIYEIJDUGCXML-QGZVFWFLSA-N 1 0 397.519 4.026 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cc(Br)ccc2F)C1 ZINC000054224115 822869260 /nfs/dbraw/zinc/86/92/60/822869260.db2.gz KMVWUUNBCHJIHW-CJNGLKHVSA-N 1 0 391.284 4.154 20 0 GIADRO Cc1nc(COC(C)(C)C)oc1C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000569008585 822869338 /nfs/dbraw/zinc/86/93/38/822869338.db2.gz MSWXSDAXWDZWOV-UHFFFAOYSA-N 1 0 391.556 4.026 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccc(Br)cc2F)C1 ZINC000054224742 822869639 /nfs/dbraw/zinc/86/96/39/822869639.db2.gz WMZUCDFVMCDPLZ-CJNGLKHVSA-N 1 0 391.284 4.154 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Cc2csc(-c3cccs3)n2)C1 ZINC000054225412 822869652 /nfs/dbraw/zinc/86/96/52/822869652.db2.gz AUCZGRHZCPORKV-WBVHZDCISA-N 1 0 397.569 4.366 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)c2cc(-c3ccccc3)no2)CC1 ZINC000175024390 822869726 /nfs/dbraw/zinc/86/97/26/822869726.db2.gz IWQWIRWDNQKBRB-UHFFFAOYSA-N 1 0 375.472 4.078 20 0 GIADRO COc1ccc(S[C@H](C)C(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cc1 ZINC000054227774 822869880 /nfs/dbraw/zinc/86/98/80/822869880.db2.gz AXTNHOQRULYKRX-LMMKCTJWSA-N 1 0 384.545 4.128 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cccn2Cc2cccs2)C1 ZINC000054227889 822869893 /nfs/dbraw/zinc/86/98/93/822869893.db2.gz TWEJHCBVKZDOMM-MJGOQNOKSA-N 1 0 379.529 4.163 20 0 GIADRO COc1ccccc1[C@H]1[C@@H]([NH3+])CCCN1C(=O)c1ccc(F)c(CSC)c1 ZINC000457358455 822869968 /nfs/dbraw/zinc/86/99/68/822869968.db2.gz CIYUUNRYHPNZKP-ICSRJNTNSA-N 1 0 388.508 4.002 20 0 GIADRO CCOc1ccc2cc(C(=O)N(Cc3ccccc3)C3CC[NH+](C)CC3)[nH]c2c1 ZINC000175026284 822870113 /nfs/dbraw/zinc/87/01/13/822870113.db2.gz SRCFBXREVDDDQL-UHFFFAOYSA-N 1 0 391.515 4.303 20 0 GIADRO COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N2CCC[C@@H]([NH3+])[C@H]2C)cc1 ZINC000457361516 822870217 /nfs/dbraw/zinc/87/02/17/822870217.db2.gz ZYXIKJAMGDGPTK-IIBYNOLFSA-N 1 0 391.515 4.114 20 0 GIADRO Cc1ccc(-c2cnc(-c3ccccc3C(=O)N3CCC[C@@H]([NH3+])[C@H]3C)o2)cc1 ZINC000457360251 822870247 /nfs/dbraw/zinc/87/02/47/822870247.db2.gz UIJRUZGHMSVZKC-OXQOHEQNSA-N 1 0 375.472 4.269 20 0 GIADRO O=C(N[C@@H]1C[C@H]1c1ccc(Br)cc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000569022771 822870487 /nfs/dbraw/zinc/87/04/87/822870487.db2.gz RLWCJCABZFESRB-VQTJNVASSA-N 1 0 399.332 4.331 20 0 GIADRO COc1ccc([C@@H]2CCN(C(=O)c3cc4cc(C)c(C)cc4o3)C[C@H]2[NH3+])cc1F ZINC000457364101 822870498 /nfs/dbraw/zinc/87/04/98/822870498.db2.gz AYGJLZLTUDNWQY-PKOBYXMFSA-N 1 0 396.462 4.154 20 0 GIADRO c1c(C[NH2+]CCC[C@@H]2CCCCO2)c(-c2cccnc2)nn1Cc1ccccc1 ZINC000186285621 822870728 /nfs/dbraw/zinc/87/07/28/822870728.db2.gz CYXYIVQATJZOLO-QHCPKHFHSA-N 1 0 390.531 4.432 20 0 GIADRO [NH3+]C[C@@H]1CCCN(C(=O)c2ccc(-c3ccc(Br)s3)s2)C1 ZINC000457368410 822870780 /nfs/dbraw/zinc/87/07/80/822870780.db2.gz YQXKKAARICWALP-JTQLQIEISA-N 1 0 385.352 4.050 20 0 GIADRO COc1ccc([C@H]2CCN(C(=O)c3c(Cl)cccc3Cl)C[C@@H]2[NH3+])cc1F ZINC000457367900 822870802 /nfs/dbraw/zinc/87/08/02/822870802.db2.gz FCSLYOHCNSOPLQ-WBMJQRKESA-N 1 0 397.277 4.098 20 0 GIADRO [NH3+][C@@H]1CN(C(=O)C[C@@H](c2ccccc2)C(F)(F)F)CC[C@@H]1c1ccc(F)cc1 ZINC000457370435 822870880 /nfs/dbraw/zinc/87/08/80/822870880.db2.gz OFSKCVCXQFCLHP-CEXWTWQISA-N 1 0 394.412 4.205 20 0 GIADRO Cc1csc(-c2cccc(C(=O)N3CC[C@@H](c4ccc(F)cc4)[C@H]([NH3+])C3)c2)n1 ZINC000457375639 822871316 /nfs/dbraw/zinc/87/13/16/822871316.db2.gz YFFRKLGBEJSBOT-VQTJNVASSA-N 1 0 395.503 4.215 20 0 GIADRO Cc1cc(Br)c(C(=O)NCCC[N@@H+](C)Cc2ccccc2)s1 ZINC000457382864 822871842 /nfs/dbraw/zinc/87/18/42/822871842.db2.gz DLXLCZOSGKMFDK-UHFFFAOYSA-N 1 0 381.339 4.071 20 0 GIADRO Cc1ccccc1-c1nc(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)cs1 ZINC000457384554 822871914 /nfs/dbraw/zinc/87/19/14/822871914.db2.gz RUEBCESOMZSCLA-RBUKOAKNSA-N 1 0 395.503 4.215 20 0 GIADRO Cc1nc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)c(-c2ccccc2)o1 ZINC000569040953 822872357 /nfs/dbraw/zinc/87/23/57/822872357.db2.gz IGFIBYOSBLZVRH-UZLBHIALSA-N 1 0 375.472 4.043 20 0 GIADRO Cc1nc(-c2ccsc2)ccc1C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H]([NH3+])C1 ZINC000457391080 822872393 /nfs/dbraw/zinc/87/23/93/822872393.db2.gz XSOYXBIHVVSWNW-VQTJNVASSA-N 1 0 395.503 4.215 20 0 GIADRO COc1ccc([C@@H]2CCN(C(=O)c3oc4c(cccc4C)c3C)C[C@H]2[NH3+])cc1F ZINC000457390368 822872405 /nfs/dbraw/zinc/87/24/05/822872405.db2.gz XBSOELJFXIYVEM-PKOBYXMFSA-N 1 0 396.462 4.154 20 0 GIADRO Cc1nc(COc2cccc(C(=O)N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C(C)C)c2)cs1 ZINC000175044409 822872782 /nfs/dbraw/zinc/87/27/82/822872782.db2.gz ZCULFKNPFYOQMF-UXHICEINSA-N 1 0 399.560 4.118 20 0 GIADRO CC[C@]1(CNC(=O)c2oc3ccccc3c2C[NH+](C)C)OCCc2ccccc21 ZINC000569045984 822873225 /nfs/dbraw/zinc/87/32/25/822873225.db2.gz PVEJYFWQRSNUEA-XMMPIXPASA-N 1 0 392.499 4.102 20 0 GIADRO CN(C(=O)N[C@@H]1CCCc2ccccc21)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457406143 822873302 /nfs/dbraw/zinc/87/33/02/822873302.db2.gz QUWUENLXIBRTIC-GOSISDBHSA-N 1 0 383.458 4.122 20 0 GIADRO Cc1cc(C[NH2+]C[C@@H](CO)c2ccccc2)cc(C)c1OCc1ccccn1 ZINC000175048879 822873591 /nfs/dbraw/zinc/87/35/91/822873591.db2.gz FUAFCJSBAYUDRB-QFIPXVFZSA-N 1 0 376.500 4.143 20 0 GIADRO OC[C@H]([NH2+]Cc1cscc1C(F)(F)F)c1cccc(Br)c1 ZINC000569057707 822874907 /nfs/dbraw/zinc/87/49/07/822874907.db2.gz CKXBOHVFYWDKJA-ZDUSSCGKSA-N 1 0 380.229 4.353 20 0 GIADRO Cc1ccc(NC(=O)NC2CC[NH+](CC(C)C)CC2)c(-c2nc(C3CC3)no2)c1 ZINC000175058317 822875162 /nfs/dbraw/zinc/87/51/62/822875162.db2.gz JUJRCNALNKQHFC-UHFFFAOYSA-N 1 0 397.523 4.164 20 0 GIADRO CC(C)C[N@H+](Cc1ccc(-n2cncn2)c(F)c1)[C@@H]1CCCc2cccnc21 ZINC000569062635 822875687 /nfs/dbraw/zinc/87/56/87/822875687.db2.gz DMJIZQHPVUZASL-OAQYLSRUSA-N 1 0 379.483 4.337 20 0 GIADRO COc1ccc(OCc2nc(C[NH2+]C[C@H]3CCCO[C@H]3C(C)C)cs2)cc1 ZINC000175063079 822876253 /nfs/dbraw/zinc/87/62/53/822876253.db2.gz SZTLTKSJIVGHBP-IERDGZPVSA-N 1 0 390.549 4.272 20 0 GIADRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000186325691 822876258 /nfs/dbraw/zinc/87/62/58/822876258.db2.gz AEMBTLXSJZNHKT-CABCVRRESA-N 1 0 392.849 4.481 20 0 GIADRO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1 ZINC000569068640 822876382 /nfs/dbraw/zinc/87/63/82/822876382.db2.gz XWHUYHKUODOKCI-LEWJYISDSA-N 1 0 377.536 4.098 20 0 GIADRO CC(C)Oc1ccc(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)c(Cl)c1 ZINC000457454083 822876573 /nfs/dbraw/zinc/87/65/73/822876573.db2.gz JGINTAHNSDCHSC-UHFFFAOYSA-N 1 0 376.884 4.320 20 0 GIADRO C[C@H]([NH2+]C1CCC2(CC1)c1ccccc1NC2=O)[C@@H](c1ccccc1)N(C)C ZINC000186328964 822876795 /nfs/dbraw/zinc/87/67/95/822876795.db2.gz ZWNQDRRFULCFLZ-XGOQUTDXSA-N 1 0 377.532 4.100 20 0 GIADRO CCCC[NH+]1CCC(NC(=O)Nc2ccc(C)cc2-c2nc(C3CC3)no2)CC1 ZINC000175068057 822877095 /nfs/dbraw/zinc/87/70/95/822877095.db2.gz ORGWLGLHTWIPTC-UHFFFAOYSA-N 1 0 397.523 4.308 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)N1CC(c2cccc(C(F)(F)F)c2)C1)c1cccs1 ZINC000457461264 822877304 /nfs/dbraw/zinc/87/73/04/822877304.db2.gz ROPJQMSVIJOKFZ-INIZCTEOSA-N 1 0 397.466 4.179 20 0 GIADRO CCOc1ccccc1NC(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000569077106 822877320 /nfs/dbraw/zinc/87/73/20/822877320.db2.gz MIBLLKYRTSNWDC-LADGPHEKSA-N 1 0 394.515 4.268 20 0 GIADRO CSCC1CCC(NC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000457461921 822877499 /nfs/dbraw/zinc/87/74/99/822877499.db2.gz SLWHSTOIGZJPRU-OFLPRAFFSA-N 1 0 381.611 4.106 20 0 GIADRO Cc1nc(CN2CCC(C[NH2+][C@H](C)c3csc(C(C)C)n3)CC2)oc1C ZINC000186334183 822877605 /nfs/dbraw/zinc/87/76/05/822877605.db2.gz HVWOUGZHSJWQHZ-OAHLLOKOSA-N 1 0 376.570 4.434 20 0 GIADRO CC1(C)[C@H](OCc2ccccc2)C[C@@H]1[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000186338652 822878233 /nfs/dbraw/zinc/87/82/33/822878233.db2.gz WKLBMCLGUXRJEC-NIVCPKKUSA-N 1 0 380.532 4.185 20 0 GIADRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@](C)(O)[C@@H](C)c1ccccc1 ZINC000175078000 822878358 /nfs/dbraw/zinc/87/83/58/822878358.db2.gz TUKFDBWHLNITMH-MBSDFSHPSA-N 1 0 398.572 4.037 20 0 GIADRO CC(C)Sc1ccc([C@H](C)NC(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)cc1 ZINC000569091351 822879423 /nfs/dbraw/zinc/87/94/23/822879423.db2.gz HCSLAYYIIFGYDD-YOEHRIQHSA-N 1 0 384.549 4.281 20 0 GIADRO O=C(COC1CC[NH2+]CC1)N[C@@H]1CCCCC[C@H]1c1ccccc1C(F)(F)F ZINC000569093246 822879560 /nfs/dbraw/zinc/87/95/60/822879560.db2.gz KPIQPWQMSAVQSH-PKOBYXMFSA-N 1 0 398.469 4.007 20 0 GIADRO O=C(NCc1coc(-c2cccs2)n1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000054377124 822879585 /nfs/dbraw/zinc/87/95/85/822879585.db2.gz FVAFDPGEVYPSDN-GOSISDBHSA-N 1 0 396.516 4.039 20 0 GIADRO CCc1nocc1CN(C)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](CC)CC ZINC000457486156 822880529 /nfs/dbraw/zinc/88/05/29/822880529.db2.gz PGDUTYMSOUOLQH-IBGZPJMESA-N 1 0 392.931 4.115 20 0 GIADRO CC(C)c1nc([C@@H](C)[NH2+]C[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)cs1 ZINC000186351602 822880513 /nfs/dbraw/zinc/88/05/13/822880513.db2.gz OPHNAYIEQYHXDG-IAQYHMDHSA-N 1 0 382.913 4.075 20 0 GIADRO CN(Cc1ccc(F)cc1)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000054393597 822881397 /nfs/dbraw/zinc/88/13/97/822881397.db2.gz NBWWLKLBDKABEN-UHFFFAOYSA-N 1 0 389.902 4.285 20 0 GIADRO Cc1cc(C)c(NC(=O)CNC(=O)C[NH2+][C@@H](c2ccccc2)C(C)(C)C)c(C)c1 ZINC000054397132 822882064 /nfs/dbraw/zinc/88/20/64/822882064.db2.gz VHSJCCRGFJZUAG-QHCPKHFHSA-N 1 0 395.547 4.044 20 0 GIADRO Cc1c(NC(=O)C2C[NH+](C3CCCCC3)C2)cccc1C(=O)Nc1ccccc1 ZINC000457500884 822882294 /nfs/dbraw/zinc/88/22/94/822882294.db2.gz JEFZJDAFXWNOHU-UHFFFAOYSA-N 1 0 391.515 4.450 20 0 GIADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cc(N(C)C)nc3ccccc32)C1 ZINC000186364836 822882319 /nfs/dbraw/zinc/88/23/19/822882319.db2.gz OIDSNYFKRLRPSK-OALUTQOASA-N 1 0 394.563 4.027 20 0 GIADRO C[C@@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)N1CCN(c2ncc[nH]2)CC1 ZINC000569136788 822882883 /nfs/dbraw/zinc/88/28/83/822882883.db2.gz UKNQEEJPFWDBQU-LBPRGKRZSA-N 1 0 392.290 4.255 20 0 GIADRO C[C@H](CCc1ccc(Br)cc1)[NH2+]C1CCN(c2nccs2)CC1 ZINC000569142888 822883518 /nfs/dbraw/zinc/88/35/18/822883518.db2.gz JSVRZDYZVUOIIO-CQSZACIVSA-N 1 0 394.382 4.485 20 0 GIADRO Cc1cc([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc(C)c1OCc1ccccn1 ZINC000054425991 822883941 /nfs/dbraw/zinc/88/39/41/822883941.db2.gz NZRRKWBSMCYZRQ-NRFANRHFSA-N 1 0 398.470 4.124 20 0 GIADRO O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)NC1CC[NH+](C2CCCC2)CC1 ZINC000175110153 822884214 /nfs/dbraw/zinc/88/42/14/822884214.db2.gz RYASEZPPYJRVBN-UHFFFAOYSA-N 1 0 385.508 4.257 20 0 GIADRO COC(=O)c1csc([C@@H](C)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000569150286 822884233 /nfs/dbraw/zinc/88/42/33/822884233.db2.gz YUAPSHYIZPNNAT-MIJOPJBOSA-N 1 0 384.545 4.381 20 0 GIADRO CCC[N@H+](CC[S@@](=O)c1cc(Cl)ccc1Cl)C[C@H]1CCCCO1 ZINC000569150434 822884605 /nfs/dbraw/zinc/88/46/05/822884605.db2.gz SLLGZFSVDJBVMO-IQMFZBJNSA-N 1 0 378.365 4.382 20 0 GIADRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1cc(Br)co1 ZINC000457524584 822885518 /nfs/dbraw/zinc/88/55/18/822885518.db2.gz VAJGQYMMEDLTSA-UHFFFAOYSA-N 1 0 395.322 4.152 20 0 GIADRO C[N@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCO2)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000569156746 822885664 /nfs/dbraw/zinc/88/56/64/822885664.db2.gz NLHGFLDLLKFGKB-GASCZTMLSA-N 1 0 381.398 4.358 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2nnc(-c3ccsc3)s2)C1 ZINC000054451146 822887141 /nfs/dbraw/zinc/88/71/41/822887141.db2.gz ZRFKVVXKJVGSFM-CJNGLKHVSA-N 1 0 399.545 4.224 20 0 GIADRO COc1ccc([C@@H](C[NH2+][C@@H](C)c2csc(C(C)C)n2)N(C)C)cc1OC ZINC000186393640 822887394 /nfs/dbraw/zinc/88/73/94/822887394.db2.gz MACHGWCASUBKOH-WMLDXEAASA-N 1 0 377.554 4.237 20 0 GIADRO Cc1ccc(C[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)c(O[C@H]2CCOC2)c1 ZINC000186396135 822887613 /nfs/dbraw/zinc/88/76/13/822887613.db2.gz XKHHRFFDWBGUEX-FQEVSTJZSA-N 1 0 383.488 4.098 20 0 GIADRO CCc1cccc(Oc2ccc(NC(=O)N(C)[C@H]3CC[N@H+](C)[C@H](C)C3)cn2)c1 ZINC000175125443 822887669 /nfs/dbraw/zinc/88/76/69/822887669.db2.gz VJVYJFNVAWTLQM-APWZRJJASA-N 1 0 382.508 4.383 20 0 GIADRO COCc1cccc(Cc2nc(-c3ccccc3C[NH+]3CCCCC3)no2)c1 ZINC000569170323 822887870 /nfs/dbraw/zinc/88/78/70/822887870.db2.gz RMGVCNPTRWODIY-UHFFFAOYSA-N 1 0 377.488 4.460 20 0 GIADRO COCCCOc1cc(C)ccc1C[NH2+]Cc1ccc2c(c1)COC(C)(C)O2 ZINC000186397799 822888115 /nfs/dbraw/zinc/88/81/15/822888115.db2.gz ICCCKJOWONSGBS-UHFFFAOYSA-N 1 0 385.504 4.345 20 0 GIADRO COc1ccc(C[N@H+](Cc2cnc3cnccn23)[C@H]2CCCC[C@H]2C)cc1OC ZINC000569172465 822888458 /nfs/dbraw/zinc/88/84/58/822888458.db2.gz LMVPHNXSVQEHII-XLIONFOSSA-N 1 0 394.519 4.327 20 0 GIADRO Cn1cccc1[C@@H]1CCCC[N@@H+]1Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000175130991 822888629 /nfs/dbraw/zinc/88/86/29/822888629.db2.gz XJRCCEXBINIXMR-QFIPXVFZSA-N 1 0 377.488 4.275 20 0 GIADRO Cc1cccc(Br)c1C(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000569178934 822889347 /nfs/dbraw/zinc/88/93/47/822889347.db2.gz OJDXVSUOVNDDDC-KBPBESRZSA-N 1 0 381.358 4.244 20 0 GIADRO CC(C)c1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1 ZINC000175135379 822889508 /nfs/dbraw/zinc/88/95/08/822889508.db2.gz XNZFUUZAEZVRLZ-XLIONFOSSA-N 1 0 399.560 4.009 20 0 GIADRO CC[C@@]1(C)Oc2ccc(NC(=O)N3CCN(C)C[C@@H]3c3ccccc3)cc2O1 ZINC000569185393 822890150 /nfs/dbraw/zinc/89/01/50/822890150.db2.gz ACDULQHBPKETMP-GCJKJVERSA-N 1 0 381.476 4.105 20 0 GIADRO Cc1ccc(Oc2ccc(C(=O)N3CCC[C@H]([NH+]4CCCC4)CC3)nc2)cc1 ZINC000457570500 822892576 /nfs/dbraw/zinc/89/25/76/822892576.db2.gz HLGJOMUYGLKZOV-IBGZPJMESA-N 1 0 379.504 4.273 20 0 GIADRO CC(C)Oc1ccc(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)c(Cl)c1 ZINC000457576681 822893790 /nfs/dbraw/zinc/89/37/90/822893790.db2.gz VOUWYBYBBKCXLQ-UHFFFAOYSA-N 1 0 378.875 4.258 20 0 GIADRO Cc1cc(Br)c(C(=O)Nc2ccc(C)cc2OCC[NH+](C)C)s1 ZINC000457588409 822895089 /nfs/dbraw/zinc/89/50/89/822895089.db2.gz WVDSNQNXHOTPRZ-UHFFFAOYSA-N 1 0 397.338 4.320 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(Oc3cccc(Cl)c3)cn2)C[C@@H]1C ZINC000457591779 822895586 /nfs/dbraw/zinc/89/55/86/822895586.db2.gz ZXWACNSMCJHICU-DOTOQJQBSA-N 1 0 387.911 4.472 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(Oc3cccc(Cl)c3)cn2)C[C@H]1C ZINC000457591782 822895658 /nfs/dbraw/zinc/89/56/58/822895658.db2.gz ZXWACNSMCJHICU-NVXWUHKLSA-N 1 0 387.911 4.472 20 0 GIADRO C[C@H]([NH3+])C[C@H](C)NC(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 ZINC000569242830 822895725 /nfs/dbraw/zinc/89/57/25/822895725.db2.gz AVGJVRCXLWJYEB-QWRGUYRKSA-N 1 0 386.443 4.000 20 0 GIADRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C1CC1)c1ccccc1O2 ZINC000569245912 822896045 /nfs/dbraw/zinc/89/60/45/822896045.db2.gz TZLJMRDYXBHXHW-SBHAEUEKSA-N 1 0 382.548 4.307 20 0 GIADRO Fc1cc(C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)ccc1OCC(F)(F)F ZINC000186452256 822897881 /nfs/dbraw/zinc/89/78/81/822897881.db2.gz XPSXABRLGJJUCH-LJQANCHMSA-N 1 0 381.369 4.398 20 0 GIADRO Cc1oc2ccc(NC(=O)N3CCC(C[NH+]4C[C@@H](C)O[C@H](C)C4)CC3)cc2c1C ZINC000186454941 822898256 /nfs/dbraw/zinc/89/82/56/822898256.db2.gz GSHFGNXDRZWYDX-HZPDHXFCSA-N 1 0 399.535 4.403 20 0 GIADRO C[C@H]1CC[C@@](C)(C(=O)N(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)C1(C)C ZINC000457633273 822899206 /nfs/dbraw/zinc/89/92/06/822899206.db2.gz ONYFQRYZGYQSKA-CYFREDJKSA-N 1 0 391.644 4.104 20 0 GIADRO Cn1cccc1[C@@H]1CCCCN1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000175182661 822899466 /nfs/dbraw/zinc/89/94/66/822899466.db2.gz CZBQDZBVRCVNSK-RBUKOAKNSA-N 1 0 386.565 4.160 20 0 GIADRO COc1cc(C[N@H+](C)Cc2ccccc2N(C)C)ccc1OCc1ccncc1 ZINC000569276064 822900152 /nfs/dbraw/zinc/90/01/52/822900152.db2.gz KSBCGNIRHBTUJX-UHFFFAOYSA-N 1 0 391.515 4.367 20 0 GIADRO Cc1oc2ccc(NC(=O)N3CCN(CC[N@H+]4[C@H](C)CC[C@@H]4C)CC3)cc2c1C ZINC000186473721 822901079 /nfs/dbraw/zinc/90/10/79/822901079.db2.gz CTJGHFRXKXGFJK-CALCHBBNSA-N 1 0 398.551 4.072 20 0 GIADRO Cc1oc2ccc(NC(=O)N3CCN(CC[NH+]4[C@@H](C)CC[C@@H]4C)CC3)cc2c1C ZINC000186473741 822901122 /nfs/dbraw/zinc/90/11/22/822901122.db2.gz CTJGHFRXKXGFJK-IRXDYDNUSA-N 1 0 398.551 4.072 20 0 GIADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc3oc(C)c(C)c3c2)[C@H](C)C1 ZINC000186474320 822901141 /nfs/dbraw/zinc/90/11/41/822901141.db2.gz GYEBUGOBTBKKSF-FOIQADDNSA-N 1 0 387.524 4.308 20 0 GIADRO Cc1cnn(CCCCC[NH2+][C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000569292920 822902987 /nfs/dbraw/zinc/90/29/87/822902987.db2.gz FJDHSVOUOHFRQL-UXHICEINSA-N 1 0 378.923 4.189 20 0 GIADRO CC(=O)c1ccccc1OCC[NH+]1CCC(c2noc3cc(F)ccc32)CC1 ZINC000569293167 822902994 /nfs/dbraw/zinc/90/29/94/822902994.db2.gz SHUJJQCLQIUZBP-UHFFFAOYSA-N 1 0 382.435 4.428 20 0 GIADRO CSc1cccc(N(C(=O)CC[C@H]2CC[C@@H](C)O2)C2CC[NH+](C)CC2)c1 ZINC000175205936 822903900 /nfs/dbraw/zinc/90/39/00/822903900.db2.gz BRXJOJCKZOCILZ-VQIMIIECSA-N 1 0 376.566 4.183 20 0 GIADRO Cc1ccc(Oc2ccc(C(=O)N3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)nc2)cc1 ZINC000457669074 822904021 /nfs/dbraw/zinc/90/40/21/822904021.db2.gz KMYLCIJHBAAJCR-WZONZLPQSA-N 1 0 391.515 4.271 20 0 GIADRO COC[C@H]1CCCN(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000457669546 822904165 /nfs/dbraw/zinc/90/41/65/822904165.db2.gz XKMNYKYLMSHAHH-PMACEKPBSA-N 1 0 387.568 4.019 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1c[nH]cc1-c1ccc(Cl)s1)c1ccsc1 ZINC000054675922 822904734 /nfs/dbraw/zinc/90/47/34/822904734.db2.gz PEIWMRPATGISGZ-CQSZACIVSA-N 1 0 379.938 4.491 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)N1CCCC2(C1)CCCCCC2 ZINC000175212227 822905477 /nfs/dbraw/zinc/90/54/77/822905477.db2.gz QIHBJYCHBBKXCZ-UHFFFAOYSA-N 1 0 384.568 4.192 20 0 GIADRO Cc1ncsc1/C=C/C(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000186501717 822905584 /nfs/dbraw/zinc/90/55/84/822905584.db2.gz QUSAYRJUNDKIHL-BQYQJAHWSA-N 1 0 397.466 4.074 20 0 GIADRO CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000175213014 822905666 /nfs/dbraw/zinc/90/56/66/822905666.db2.gz MHZCLBHUAAEAGP-HSZRJFAPSA-N 1 0 394.563 4.017 20 0 GIADRO Cc1oc2ccc(NC(=O)NCC3CCN(c4cc[nH+]cc4)CC3)cc2c1C ZINC000186503972 822905846 /nfs/dbraw/zinc/90/58/46/822905846.db2.gz IENDAQYDFLFXHW-UHFFFAOYSA-N 1 0 378.476 4.483 20 0 GIADRO Cc1noc(C)c1-c1nc(C)c(C(=O)NCC2([NH+](C)C)CCCCCC2)s1 ZINC000569313373 822906184 /nfs/dbraw/zinc/90/61/84/822906184.db2.gz QVDOXPNRBFXAKL-UHFFFAOYSA-N 1 0 390.553 4.108 20 0 GIADRO Cc1c(Cl)cncc1C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000457684187 822906338 /nfs/dbraw/zinc/90/63/38/822906338.db2.gz HYKLRCCAJKGZOM-ACJLOTCBSA-N 1 0 396.293 4.259 20 0 GIADRO Cc1ccc(NC(=O)Cc2ccc(F)cc2Br)c(C[NH+](C)C)c1 ZINC000186509839 822906652 /nfs/dbraw/zinc/90/66/52/822906652.db2.gz SLAWYAQEYITWPZ-UHFFFAOYSA-N 1 0 379.273 4.139 20 0 GIADRO COC1(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)CCCCC1 ZINC000186513500 822906938 /nfs/dbraw/zinc/90/69/38/822906938.db2.gz SFTWKXQAOBAKNS-KRWDZBQOSA-N 1 0 379.566 4.403 20 0 GIADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc(Oc2cccc(Cl)c2)cn1 ZINC000457688737 822906884 /nfs/dbraw/zinc/90/68/84/822906884.db2.gz LHVZCMQOVDFNFF-OAHLLOKOSA-N 1 0 387.911 4.330 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)N1CC(C)(CC(F)(F)F)C1)c1ccsc1 ZINC000457690632 822907266 /nfs/dbraw/zinc/90/72/66/822907266.db2.gz PDFCRSLPJQVCCA-AWEZNQCLSA-N 1 0 377.476 4.115 20 0 GIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N(C)Cc2ccc(Cl)s2)C1 ZINC000054718220 822907324 /nfs/dbraw/zinc/90/73/24/822907324.db2.gz HVBDUXYSSSFNIE-HOCLYGCPSA-N 1 0 377.941 4.378 20 0 GIADRO O=C(c1cc(Cl)c[nH]1)N1CCC([NH2+][C@@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000569325652 822907768 /nfs/dbraw/zinc/90/77/68/822907768.db2.gz XPLWXDOMDZTRIC-LJQANCHMSA-N 1 0 375.875 4.153 20 0 GIADRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(c2nc3cc(C(F)(F)F)ccc3s2)C1 ZINC000569326249 822907774 /nfs/dbraw/zinc/90/77/74/822907774.db2.gz NUTVDHRBRUMCNN-KBPBESRZSA-N 1 0 385.455 4.005 20 0 GIADRO Cn1ncc2c1CCCN(C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)C2 ZINC000569332641 822908570 /nfs/dbraw/zinc/90/85/70/822908570.db2.gz DIXCZVRGOANDQN-UHFFFAOYSA-N 1 0 395.551 4.165 20 0 GIADRO COc1cccc([C@H](CNC(=O)N[C@H](C)c2ccc(C)s2)[NH+]2CCCC2)c1 ZINC000054732078 822908556 /nfs/dbraw/zinc/90/85/56/822908556.db2.gz HUKIZYDZPQZEFL-APWZRJJASA-N 1 0 387.549 4.262 20 0 GIADRO COc1ccc([C@H](NC(=O)NC[C@H](c2ccsc2)[NH+](C)C)c2ccco2)cc1 ZINC000457703642 822908668 /nfs/dbraw/zinc/90/86/68/822908668.db2.gz JMQSKQMTHAVUFY-QUCCMNQESA-N 1 0 399.516 4.041 20 0 GIADRO COc1ccc([C@H](NC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c2ccco2)cc1 ZINC000457703640 822908680 /nfs/dbraw/zinc/90/86/80/822908680.db2.gz JMQSKQMTHAVUFY-ICSRJNTNSA-N 1 0 399.516 4.041 20 0 GIADRO C[C@H](CNC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)Cc1cccs1 ZINC000175225616 822908752 /nfs/dbraw/zinc/90/87/52/822908752.db2.gz QDYVNQGWJWVWRA-INIZCTEOSA-N 1 0 389.540 4.030 20 0 GIADRO C[C@@H](CNC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)Cc1cccs1 ZINC000175225632 822908887 /nfs/dbraw/zinc/90/88/87/822908887.db2.gz QDYVNQGWJWVWRA-MRXNPFEDSA-N 1 0 389.540 4.030 20 0 GIADRO CC[C@H](C)[NH2+][C@H](CNC(=O)C[C@H]1CCCc2cc(OC)ccc21)c1ccco1 ZINC000569349220 822910184 /nfs/dbraw/zinc/91/01/84/822910184.db2.gz HWFPYABUWNLIAZ-YRISNDGFSA-N 1 0 384.520 4.344 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)N1CC(c2cccc(C(F)(F)F)c2)C1)c1ccsc1 ZINC000457722241 822910651 /nfs/dbraw/zinc/91/06/51/822910651.db2.gz XCDLDVJDDPHWTM-QGZVFWFLSA-N 1 0 397.466 4.179 20 0 GIADRO CC[C@H](C(=O)N1CCC([NH2+][C@H](C)c2cn3ccccc3n2)CC1)c1ccccc1 ZINC000569355226 822910909 /nfs/dbraw/zinc/91/09/09/822910909.db2.gz CLUYNPIEERLKNL-NQIIRXRSSA-N 1 0 390.531 4.170 20 0 GIADRO Cc1c(Cl)cncc1C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000457730227 822911818 /nfs/dbraw/zinc/91/18/18/822911818.db2.gz IIDBUHXPIKACDR-INIZCTEOSA-N 1 0 385.817 4.095 20 0 GIADRO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000186551791 822911831 /nfs/dbraw/zinc/91/18/31/822911831.db2.gz AUJFXBSGIPMSBQ-GUXCAODWSA-N 1 0 388.533 4.136 20 0 GIADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc2nc(-c3ccccc3)oc2c1 ZINC000569368410 822911917 /nfs/dbraw/zinc/91/19/17/822911917.db2.gz NCRPECUVHJCFQQ-VQIMIIECSA-N 1 0 375.472 4.194 20 0 GIADRO COc1cc([C@@H](C)[NH2+]Cc2cc3ccccc3n(C)c2=O)ccc1OC(C)C ZINC000569375499 822912987 /nfs/dbraw/zinc/91/29/87/822912987.db2.gz VHIQMDNEEDITLE-MRXNPFEDSA-N 1 0 380.488 4.185 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)N[C@H]1CCCOc2ccc(F)cc21 ZINC000054785476 822913092 /nfs/dbraw/zinc/91/30/92/822913092.db2.gz GLSVQVXZPCPWMF-NRFANRHFSA-N 1 0 397.494 4.135 20 0 GIADRO Clc1cc2c(cc1C[NH+]1CCC(c3c[nH]c4ncccc34)CC1)OCCO2 ZINC000569386271 822914260 /nfs/dbraw/zinc/91/42/60/822914260.db2.gz YWEMTJQCYQPVLR-UHFFFAOYSA-N 1 0 383.879 4.367 20 0 GIADRO O=C(c1cccc(C[NH+]2CCC([C@@H](O)c3ccccc3)CC2)c1)N1CCCCC1 ZINC000054808535 822914757 /nfs/dbraw/zinc/91/47/57/822914757.db2.gz YIQBTKRHPPFAFR-DEOSSOPVSA-N 1 0 392.543 4.258 20 0 GIADRO Cc1cc(Br)c(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000457754344 822915034 /nfs/dbraw/zinc/91/50/34/822915034.db2.gz PHWCEVAEWVEOJX-BLLLJJGKSA-N 1 0 393.350 4.069 20 0 GIADRO Cc1csc([C@@H](C)C[NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)n1 ZINC000186581304 822917064 /nfs/dbraw/zinc/91/70/64/822917064.db2.gz XKVKFSVXNCHETG-RYUDHWBXSA-N 1 0 396.354 4.324 20 0 GIADRO CN(C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)C1CC[NH+](C)CC1 ZINC000054843009 822917401 /nfs/dbraw/zinc/91/74/01/822917401.db2.gz GDWAYRNFSBBZPG-UHFFFAOYSA-N 1 0 396.318 4.134 20 0 GIADRO O=C(CC(F)(F)F)NC[C@H]1CCC[N@H+](Cc2c(Cl)oc3ccccc32)C1 ZINC000569411139 822918588 /nfs/dbraw/zinc/91/85/88/822918588.db2.gz XGOTYKOCUOJKTQ-GFCCVEGCSA-N 1 0 388.817 4.367 20 0 GIADRO O=C(C[NH2+][C@H](Cc1ccccc1)c1ccccc1)N1CCc2sccc2C1 ZINC000054866220 822918998 /nfs/dbraw/zinc/91/89/98/822918998.db2.gz QQZCKFNOSRSSIT-OAQYLSRUSA-N 1 0 376.525 4.206 20 0 GIADRO COc1ccc([C@H]([NH2+]CCOCC(F)(F)F)C(C)C)c(Br)c1 ZINC000569413810 822919172 /nfs/dbraw/zinc/91/91/72/822919172.db2.gz XREDKSGVNGPCSH-CQSZACIVSA-N 1 0 384.236 4.323 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(Cl)c(Cl)[nH]1 ZINC000175269395 822920420 /nfs/dbraw/zinc/92/04/20/822920420.db2.gz CKQARTVDIOADMO-OAHLLOKOSA-N 1 0 380.319 4.306 20 0 GIADRO O=C(Nc1cccc(Cl)c1)N1CCC[N@H+](Cc2cc3cccnc3o2)CC1 ZINC000569425120 822921199 /nfs/dbraw/zinc/92/11/99/822921199.db2.gz WFYNTXPZYIHCSJ-UHFFFAOYSA-N 1 0 384.867 4.221 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)N[C@@H](C)c2ccc(Br)cc2)C[C@H]1C ZINC000569423934 822921280 /nfs/dbraw/zinc/92/12/80/822921280.db2.gz RWXZENSHIVNRNY-JKIFEVAISA-N 1 0 382.346 4.024 20 0 GIADRO C[C@@H](C(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1)C1CCC1 ZINC000457808923 822921556 /nfs/dbraw/zinc/92/15/56/822921556.db2.gz NDYQILAIFDRXQR-OAHLLOKOSA-N 1 0 393.369 4.308 20 0 GIADRO CCCc1nc(C)c(C(=O)N(CC)C[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000175274270 822921696 /nfs/dbraw/zinc/92/16/96/822921696.db2.gz FYBBZUMYOCGKIP-IBGZPJMESA-N 1 0 385.577 4.388 20 0 GIADRO COc1cccc([C@H](CNC(=O)N[C@H](C)c2cc3ccccc3o2)[NH+](C)C)c1 ZINC000054921434 822922341 /nfs/dbraw/zinc/92/23/41/822922341.db2.gz UJDHXXZCDHCRQE-BEFAXECRSA-N 1 0 381.476 4.105 20 0 GIADRO Cc1cccc(Oc2ccc(C(=O)N3CC[N@@H+](C4CCC4)C[C@H](C)C3)nc2)c1 ZINC000457826708 822923228 /nfs/dbraw/zinc/92/32/28/822923228.db2.gz ZMSSLHVNINLVRO-SFHVURJKSA-N 1 0 379.504 4.129 20 0 GIADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)N[C@H](c3ccccc3)c3ccc(F)cc3)C2)C1 ZINC000457834004 822923982 /nfs/dbraw/zinc/92/39/82/822923982.db2.gz QQJPDPGHJQYAIH-GGAORHGYSA-N 1 0 381.495 4.042 20 0 GIADRO C[C@@H](NC(=O)NCc1ccccc1C[NH+]1CCCCC1)c1nc2ccccc2[nH]1 ZINC000054953107 822924636 /nfs/dbraw/zinc/92/46/36/822924636.db2.gz ZRZAZWRDCPMLTP-QGZVFWFLSA-N 1 0 391.519 4.109 20 0 GIADRO C[NH+](C)CCN(Cc1ccccc1F)C(=S)Nc1ccc(F)c(Cl)c1 ZINC000054959605 822925556 /nfs/dbraw/zinc/92/55/56/822925556.db2.gz DDYIVNFEFAKCMY-UHFFFAOYSA-N 1 0 383.895 4.379 20 0 GIADRO CN(CC1CC[NH+](C)CC1)C(=O)C1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000186631379 822926410 /nfs/dbraw/zinc/92/64/10/822926410.db2.gz JCBKXCSOFJKZLP-UHFFFAOYSA-N 1 0 388.861 4.191 20 0 GIADRO CCCCOc1ccc([C@@H](C)NC(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)cc1OC ZINC000457864730 822926710 /nfs/dbraw/zinc/92/67/10/822926710.db2.gz KBBVERBWEBSPIX-IEBWSBKVSA-N 1 0 391.556 4.059 20 0 GIADRO Cc1cc(-c2noc([C@@H](C)[N@@H+]3C[C@@H](c4cnn(C)c4)C(C)(C)C3)n2)ccc1F ZINC000569469380 822926793 /nfs/dbraw/zinc/92/67/93/822926793.db2.gz WNVMNPSBOBRDBF-PBHICJAKSA-N 1 0 383.471 4.104 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=S)Nc1ccc(OC(F)F)cc1 ZINC000054974407 822927176 /nfs/dbraw/zinc/92/71/76/822927176.db2.gz MYLXWISJYYUYCX-UHFFFAOYSA-N 1 0 397.466 4.188 20 0 GIADRO C[N@H+](Cc1ccc2c(c1)COC(C)(C)O2)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000186639513 822927748 /nfs/dbraw/zinc/92/77/48/822927748.db2.gz MKKHUORNDKBWQW-UHFFFAOYSA-N 1 0 390.524 4.163 20 0 GIADRO CC[C@@H](C)Sc1ccc(NC(=O)NCCN2CCC([NH+](C)C)CC2)c(C)c1 ZINC000175297169 822927940 /nfs/dbraw/zinc/92/79/40/822927940.db2.gz YIZIKFIQYRMIAA-QGZVFWFLSA-N 1 0 392.613 4.033 20 0 GIADRO CCOCCOCc1cccc(NC(=O)c2cccc(C[NH+]3CCCC3)c2)c1C ZINC000175298267 822928098 /nfs/dbraw/zinc/92/80/98/822928098.db2.gz GFRDBWSLMRZVAH-UHFFFAOYSA-N 1 0 396.531 4.396 20 0 GIADRO CC(C)C(=O)Nc1ccc(NC(=O)N[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000569489704 822928975 /nfs/dbraw/zinc/92/89/75/822928975.db2.gz NPOUEFQZHKELCY-QHCPKHFHSA-N 1 0 394.519 4.067 20 0 GIADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cc(SC)ccc1C ZINC000175301616 822929356 /nfs/dbraw/zinc/92/93/56/822929356.db2.gz JCEKFKVYRXERIH-UHFFFAOYSA-N 1 0 399.560 4.120 20 0 GIADRO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000186651489 822929617 /nfs/dbraw/zinc/92/96/17/822929617.db2.gz RJWJNPBOGWGOOI-WAIKUNEKSA-N 1 0 394.494 4.218 20 0 GIADRO CSCC[C@@H](C)N(C)C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000569506222 822931326 /nfs/dbraw/zinc/93/13/26/822931326.db2.gz WQUJPDZDNDJEHE-GOSISDBHSA-N 1 0 377.598 4.202 20 0 GIADRO C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+][C@@H]1CCCc2[nH]c(=O)ccc21 ZINC000569507487 822931526 /nfs/dbraw/zinc/93/15/26/822931526.db2.gz DRDUFQHOYOBJMP-MEDUHNTESA-N 1 0 379.273 4.287 20 0 GIADRO Cc1ccc([C@H](C[NH2+]Cc2cc(-c3ccccc3)cs2)N2CCOCC2)o1 ZINC000569510783 822932121 /nfs/dbraw/zinc/93/21/21/822932121.db2.gz DVRQUGICMVBUMH-NRFANRHFSA-N 1 0 382.529 4.480 20 0 GIADRO COC(=O)c1ccc(Cl)c(C[NH2+][C@H]2c3ccccc3CC23CCOCC3)c1 ZINC000569533161 822935722 /nfs/dbraw/zinc/93/57/22/822935722.db2.gz APUBNOQMHNYUKU-FQEVSTJZSA-N 1 0 385.891 4.310 20 0 GIADRO Cc1ccc(Cc2cnc(NC(=O)N3CC[C@@H]([NH+]4CCCC4)C3)s2)cc1C ZINC000569541287 822937150 /nfs/dbraw/zinc/93/71/50/822937150.db2.gz MBIDYWXRGFKNAG-GOSISDBHSA-N 1 0 384.549 4.053 20 0 GIADRO Cn1cc(-c2ncc(C[NH2+][C@@H]3CCC[C@@H](c4cccc(Cl)c4)C3)cn2)cn1 ZINC000569543911 822937706 /nfs/dbraw/zinc/93/77/06/822937706.db2.gz KPNPFNFDGLSRHO-YLJYHZDGSA-N 1 0 381.911 4.347 20 0 GIADRO O=C1N[C@@H](c2ccc3ccccc3c2)C(=O)N1C1CC[NH+](Cc2ccccc2)CC1 ZINC000569546426 822937995 /nfs/dbraw/zinc/93/79/95/822937995.db2.gz RDHJWVLTKDLDOX-QHCPKHFHSA-N 1 0 399.494 4.097 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)CSc1nncs1)C1CCCCC1 ZINC000055101403 822938241 /nfs/dbraw/zinc/93/82/41/822938241.db2.gz JYOXNKYLIIFGGU-UHFFFAOYSA-N 1 0 376.551 4.033 20 0 GIADRO CCc1nc(CC(=O)NC[C@@H](c2ccccc2Cl)[NH+](CC)CC)cs1 ZINC000055109687 822939073 /nfs/dbraw/zinc/93/90/73/822939073.db2.gz RGOAMSUPVARGEO-KRWDZBQOSA-N 1 0 379.957 4.101 20 0 GIADRO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N1CCC(OCC2CCCC2)CC1 ZINC000175341560 822939980 /nfs/dbraw/zinc/93/99/80/822939980.db2.gz QABAQJJUDUKPDZ-HSZRJFAPSA-N 1 0 399.579 4.204 20 0 GIADRO CCCC1CCC(NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)CC1 ZINC000457936536 822940127 /nfs/dbraw/zinc/94/01/27/822940127.db2.gz FULMWDCJQVWFST-UHFFFAOYSA-N 1 0 377.495 4.404 20 0 GIADRO NC(=O)[C@H]1CC[C@H](C[NH2+][C@H](c2ccc(F)cc2)c2cnc3ccccc3c2)CC1 ZINC000569566385 822940816 /nfs/dbraw/zinc/94/08/16/822940816.db2.gz WGFPWIDHUIMUDN-JTUHZDRVSA-N 1 0 391.490 4.345 20 0 GIADRO COc1ccc2c(c1)oc(C(=O)N1C[C@@H]3CCC[C@H]([NH3+])[C@H]3C1)c2-c1ccccc1 ZINC000569567969 822940988 /nfs/dbraw/zinc/94/09/88/822940988.db2.gz WFSUIAOITOXYRJ-VDGAXYAQSA-N 1 0 390.483 4.308 20 0 GIADRO COc1ccc(OC)c(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccccc2OC(C)C)c1 ZINC000055152065 822941163 /nfs/dbraw/zinc/94/11/63/822941163.db2.gz BIWRCBZPGNXPRQ-HOTGVXAUSA-N 1 0 386.492 4.169 20 0 GIADRO CC(C)(C)OC(=O)CC[N@H+](Cc1ccccc1OC(F)F)C1CCOCC1 ZINC000569571999 822941246 /nfs/dbraw/zinc/94/12/46/822941246.db2.gz SEIVWGJSLFEOTH-UHFFFAOYSA-N 1 0 385.451 4.001 20 0 GIADRO O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000569572660 822941348 /nfs/dbraw/zinc/94/13/48/822941348.db2.gz FPDJASGSKVMJTP-OAQYLSRUSA-N 1 0 378.501 4.181 20 0 GIADRO C[C@@H]1C[NH2+]CCN1Cc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000569575457 822941536 /nfs/dbraw/zinc/94/15/36/822941536.db2.gz LMUHVCHGRCGQIO-CYBMUJFWSA-N 1 0 378.303 4.039 20 0 GIADRO COc1cc2c(cc1NCc1cccc(C[NH+]3CCCCC3)c1)NC(=O)CC2 ZINC000569576310 822941629 /nfs/dbraw/zinc/94/16/29/822941629.db2.gz XXXZLPZVJLRNPO-UHFFFAOYSA-N 1 0 379.504 4.178 20 0 GIADRO COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000569577974 822941831 /nfs/dbraw/zinc/94/18/31/822941831.db2.gz DCBDFKFOYKRNLV-RBQRNVLBSA-N 1 0 393.531 4.076 20 0 GIADRO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1 ZINC000186710111 822941821 /nfs/dbraw/zinc/94/18/21/822941821.db2.gz VNQYPMQEDYWNRT-BEFAXECRSA-N 1 0 388.508 4.012 20 0 GIADRO Cc1ccc2c(c1)CC[C@H]2NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457952223 822943179 /nfs/dbraw/zinc/94/31/79/822943179.db2.gz GZIVWNXUTAVXCH-GOSISDBHSA-N 1 0 383.458 4.041 20 0 GIADRO COc1cccc(N2CC[C@@H](C[NH2+][C@@H](C)c3ccc(OC)c(OC)c3C)C2)c1 ZINC000569600025 822943512 /nfs/dbraw/zinc/94/35/12/822943512.db2.gz WCQFOZNPPAKTOU-ROUUACIJSA-N 1 0 384.520 4.198 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000055193629 822944810 /nfs/dbraw/zinc/94/48/10/822944810.db2.gz IZPCLJJRYPEVRU-INIZCTEOSA-N 1 0 389.927 4.308 20 0 GIADRO CC[NH+]1CCC(N(c2ccccc2)S(=O)(=O)Cc2cccc(Cl)c2)CC1 ZINC000569617746 822945439 /nfs/dbraw/zinc/94/54/39/822945439.db2.gz ORDJNMUUQQLJSH-UHFFFAOYSA-N 1 0 392.952 4.161 20 0 GIADRO COC(=O)[C@@H](NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1ccc(F)cc1 ZINC000569618918 822945754 /nfs/dbraw/zinc/94/57/54/822945754.db2.gz KVTMCBCNLFLMOR-VGSWGCGISA-N 1 0 384.495 4.062 20 0 GIADRO CN(CC[N@H+](C)C1CC1)C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000186749796 822949372 /nfs/dbraw/zinc/94/93/72/822949372.db2.gz MNKYHECMLRODGC-UHFFFAOYSA-N 1 0 393.409 4.059 20 0 GIADRO C[C@H]([NH2+]CCc1ccc(OCC(F)(F)F)nc1)c1ccc(-n2ccnc2)cc1 ZINC000186750120 822949444 /nfs/dbraw/zinc/94/94/44/822949444.db2.gz YPKSYSJDZWCUSZ-HNNXBMFYSA-N 1 0 390.409 4.102 20 0 GIADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1sc2ccccc2c1Br ZINC000569652505 822950386 /nfs/dbraw/zinc/95/03/86/822950386.db2.gz AANTTYHLHLENSP-LBPRGKRZSA-N 1 0 381.339 4.268 20 0 GIADRO COC(=O)N1CCC([C@@H](C)[NH2+][C@@H](C)c2ccc(Br)s2)CC1 ZINC000186758511 822950467 /nfs/dbraw/zinc/95/04/67/822950467.db2.gz LBPABQVJHJIWKF-MNOVXSKESA-N 1 0 375.332 4.028 20 0 GIADRO Cc1cnc([C@@H](C)C[NH2+][C@@H](C)CC(=O)N(C)Cc2ccccc2Cl)s1 ZINC000186766461 822951726 /nfs/dbraw/zinc/95/17/26/822951726.db2.gz ZWVHPIAPOXUOEG-KBPBESRZSA-N 1 0 379.957 4.235 20 0 GIADRO Cc1cnc([C@@H](C)C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)s1 ZINC000186775443 822953502 /nfs/dbraw/zinc/95/35/02/822953502.db2.gz NYXGTZKZLIJQOO-ZDUSSCGKSA-N 1 0 377.941 4.103 20 0 GIADRO CCc1cc[n+](C(C(=O)c2cc(C)[nH]c2C)C(=S)NCc2cccs2)cc1 ZINC000055349736 822953925 /nfs/dbraw/zinc/95/39/25/822953925.db2.gz NYIKKEAVXYSBGZ-UHFFFAOYSA-O 1 0 398.577 4.272 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H](C(F)(F)F)C[C@@H]1C)c1ccco1 ZINC000458063536 822954788 /nfs/dbraw/zinc/95/47/88/822954788.db2.gz FXIJIGRYVISBET-SOUVJXGZSA-N 1 0 375.435 4.035 20 0 GIADRO COc1cccc([C@H]2C[C@H](N(C)C(=O)c3ccc(Nc4cc[nH+]cc4)cc3)C2)c1 ZINC000569682467 822954999 /nfs/dbraw/zinc/95/49/99/822954999.db2.gz VFGOTFRXEWCKGO-XYWHTSSQSA-N 1 0 387.483 4.274 20 0 GIADRO CN(Cc1ccccc1)c1ccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000175388619 822955361 /nfs/dbraw/zinc/95/53/61/822955361.db2.gz DCTIBWVWRZVBDF-BRTIRZTQSA-N 1 0 392.547 4.460 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)OCO2)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000055375127 822955742 /nfs/dbraw/zinc/95/57/42/822955742.db2.gz FTZPQCURMQXYNZ-RYUDHWBXSA-N 1 0 380.366 4.112 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)Nc2ccccc2CN2CCc3ccccc32)CC[N@@H+]1C ZINC000175389214 822955749 /nfs/dbraw/zinc/95/57/49/822955749.db2.gz BTFHBYHVUCATGF-GHTZIAJQSA-N 1 0 392.547 4.196 20 0 GIADRO Cc1ccccc1C[NH+]1CCN(c2nc(-c3ccncc3)nc3ccccc32)CC1 ZINC000055397392 822957341 /nfs/dbraw/zinc/95/73/41/822957341.db2.gz QYHTVYLSFOPLEO-UHFFFAOYSA-N 1 0 395.510 4.322 20 0 GIADRO Cc1csc([C@H](C)CNC(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000186810121 822959144 /nfs/dbraw/zinc/95/91/44/822959144.db2.gz DRKOWJZCCIMRFG-AEFFLSMTSA-N 1 0 392.613 4.241 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)NC1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000458114473 822959503 /nfs/dbraw/zinc/95/95/03/822959503.db2.gz ZDQRNXQFAOOKFW-UHFFFAOYSA-N 1 0 382.335 4.299 20 0 GIADRO C[NH+](C)C[C@@H](NC(=O)c1coc(-c2ccccc2Cl)n1)c1ccc(F)cc1 ZINC000569729139 822959659 /nfs/dbraw/zinc/95/96/59/822959659.db2.gz BYZHPMRAJOLVEX-QGZVFWFLSA-N 1 0 387.842 4.167 20 0 GIADRO C[NH+](C)C[C@H](CNC(=O)c1c(Cl)cncc1Cl)c1ccc(Cl)cc1 ZINC000569728351 822959709 /nfs/dbraw/zinc/95/97/09/822959709.db2.gz WCKIJOYTOCCJPZ-LBPRGKRZSA-N 1 0 386.710 4.117 20 0 GIADRO C/C(=C\C(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccccc1OC(F)F ZINC000175409097 822961554 /nfs/dbraw/zinc/96/15/54/822961554.db2.gz NVUYWZDMWDPYEH-JQIJEIRASA-N 1 0 378.463 4.026 20 0 GIADRO CC(C)(C)OCc1cc(C[NH2+][C@@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)no1 ZINC000186823614 822961675 /nfs/dbraw/zinc/96/16/75/822961675.db2.gz HHVULDAUWHPCBD-CRAIPNDOSA-N 1 0 395.544 4.163 20 0 GIADRO c1cc([C@H]2CCC[N@H+]([C@H](c3nc(-c4ccccc4)no3)c3ccccc3)C2)n[nH]1 ZINC000175413522 822962969 /nfs/dbraw/zinc/96/29/69/822962969.db2.gz JIVVMDNDPTZLGT-FPOVZHCZSA-N 1 0 385.471 4.429 20 0 GIADRO C[C@H]([NH2+]C[C@@H](c1ccccc1)C(F)(F)F)c1ccc(NS(C)(=O)=O)cc1 ZINC000186839268 822965067 /nfs/dbraw/zinc/96/50/67/822965067.db2.gz WNCVEIRJCVVLDH-GUYCJALGSA-N 1 0 386.439 4.055 20 0 GIADRO CCCOc1ccc(OCC[N@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)cc1 ZINC000175423964 822965416 /nfs/dbraw/zinc/96/54/16/822965416.db2.gz ZBWNOHKHDSFDNI-QLXKLKPCSA-N 1 0 375.534 4.285 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)C(C)(C)C)cc1 ZINC000055458934 822965968 /nfs/dbraw/zinc/96/59/68/822965968.db2.gz CMVVHQFSKGZYAW-PXNSSMCTSA-N 1 0 385.552 4.037 20 0 GIADRO CC(=O)N/C(=C\c1ccccc1)C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000055458900 822966015 /nfs/dbraw/zinc/96/60/15/822966015.db2.gz CCJXYHFZTKQYHN-MPGAHLTBSA-N 1 0 391.515 4.177 20 0 GIADRO Cc1cc(NC(=O)c2ccc(F)cc2C(F)(F)F)ccc1OCC[NH+](C)C ZINC000458189704 822966933 /nfs/dbraw/zinc/96/69/33/822966933.db2.gz DHMBANNKIIXMKB-UHFFFAOYSA-N 1 0 384.373 4.346 20 0 GIADRO CC(C)[C@H](CNC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1)c1cccnc1 ZINC000175431485 822967085 /nfs/dbraw/zinc/96/70/85/822967085.db2.gz LKUXYJITHUPWPO-XXBNENTESA-N 1 0 394.563 4.346 20 0 GIADRO Cc1cc(Br)c(C(=O)Nc2ccc(OCC[NH+](C)C)c(C)c2)s1 ZINC000458193507 822967175 /nfs/dbraw/zinc/96/71/75/822967175.db2.gz CPAJTTQNNVZYCN-UHFFFAOYSA-N 1 0 397.338 4.320 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2C(F)(F)F)C1)c1ccc([S@@](C)=O)cc1 ZINC000186849742 822967248 /nfs/dbraw/zinc/96/72/48/822967248.db2.gz GBLZWIUAFSDIGR-DJMFZYRRSA-N 1 0 396.478 4.372 20 0 GIADRO COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H](c2ccccc2)C(F)(F)F)cc1 ZINC000186849965 822967518 /nfs/dbraw/zinc/96/75/18/822967518.db2.gz YMRAKISVJABHDY-RDTXWAMCSA-N 1 0 380.410 4.348 20 0 GIADRO COc1ccc(C[NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)cc1OCC(C)C ZINC000055472621 822967782 /nfs/dbraw/zinc/96/77/82/822967782.db2.gz YXABZDPOQTZSQH-UHFFFAOYSA-N 1 0 396.531 4.256 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)Cc1csc(-c2cccs2)n1 ZINC000458200129 822967901 /nfs/dbraw/zinc/96/79/01/822967901.db2.gz KQLMYVRBHMYRAO-UHFFFAOYSA-N 1 0 391.587 4.066 20 0 GIADRO Cc1cc(-c2nc(C(=O)N3CCC(CC[N@H+]4CCCC[C@@H]4C)CC3)co2)ccn1 ZINC000569780689 822967967 /nfs/dbraw/zinc/96/79/67/822967967.db2.gz VAYOUFGIADNZJC-SFHVURJKSA-N 1 0 396.535 4.162 20 0 GIADRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2oc3ccccc3c2COc2ccccc2)C1 ZINC000458198664 822967962 /nfs/dbraw/zinc/96/79/62/822967962.db2.gz UCWWEDHILRNTBI-SFHVURJKSA-N 1 0 392.499 4.474 20 0 GIADRO Cc1cc(C(=O)Nc2ccc(OCC[NH+](C)C)c(C)c2)c(C)n1-c1nccs1 ZINC000458201521 822968278 /nfs/dbraw/zinc/96/82/78/822968278.db2.gz VDYHKDYGMMWLDP-UHFFFAOYSA-N 1 0 398.532 4.052 20 0 GIADRO O=C(CC(Cc1ccccc1)Cc1ccccc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000175435480 822968409 /nfs/dbraw/zinc/96/84/09/822968409.db2.gz CQJCMXQMQKFJDD-XMMPIXPASA-N 1 0 390.571 4.422 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC000458205650 822968520 /nfs/dbraw/zinc/96/85/20/822968520.db2.gz SDWUPUMJISXJDL-UHFFFAOYSA-N 1 0 375.925 4.016 20 0 GIADRO O=C(Nc1cccc(Oc2ccccn2)c1)NC1CC[NH+](C2CCCC2)CC1 ZINC000175446068 822970577 /nfs/dbraw/zinc/97/05/77/822970577.db2.gz MWGORFUIMOXMEK-UHFFFAOYSA-N 1 0 380.492 4.402 20 0 GIADRO CCC1(c2ccccc2)CN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000458223603 822970580 /nfs/dbraw/zinc/97/05/80/822970580.db2.gz YPASYUGCPABUOQ-UHFFFAOYSA-N 1 0 376.544 4.479 20 0 GIADRO COCCC[NH+]1CCC(NC(=O)N2CCCC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000458226027 822970876 /nfs/dbraw/zinc/97/08/76/822970876.db2.gz BZLSWZLJIRHFQO-HXUWFJFHSA-N 1 0 393.959 4.078 20 0 GIADRO Cc1cc(C(C)(C)C)cc2c1OCCC[C@@H]2[NH2+]CCCCCS(C)(=O)=O ZINC000186869937 822971602 /nfs/dbraw/zinc/97/16/02/822971602.db2.gz OQZIUIWBMSBKIR-IBGZPJMESA-N 1 0 381.582 4.311 20 0 GIADRO C[C@H]([NH2+]CCCCCS(C)(=O)=O)c1ccc(Oc2ccccc2)c(F)c1 ZINC000186871344 822971863 /nfs/dbraw/zinc/97/18/63/822971863.db2.gz VRIINRUEQVIYLH-INIZCTEOSA-N 1 0 379.497 4.484 20 0 GIADRO CC(C)=CCC[C@H](C)CC(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000569812498 822972003 /nfs/dbraw/zinc/97/20/03/822972003.db2.gz JGPAMKDHRQEOJC-SFHVURJKSA-N 1 0 385.552 4.095 20 0 GIADRO COc1ccc([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CCC[C@@H](N3CCCC3=O)C2)cc1F ZINC000569825029 822973182 /nfs/dbraw/zinc/97/31/82/822973182.db2.gz GRXMRZCGYNBKHU-JTJHWIPRSA-N 1 0 388.527 4.384 20 0 GIADRO CC(=O)N1CCC[C@@H](C[NH2+][C@H]2CCCCc3cc(Br)ccc32)C1 ZINC000569829836 822973751 /nfs/dbraw/zinc/97/37/51/822973751.db2.gz PHYHSQSMSACTAL-KXBFYZLASA-N 1 0 379.342 4.065 20 0 GIADRO CC[NH+](CC)CCOc1ccc(NC(=O)c2sc([C@@H](C)OC)nc2C)cc1 ZINC000175457859 822973828 /nfs/dbraw/zinc/97/38/28/822973828.db2.gz XQZOWCBFRAIXMJ-OAHLLOKOSA-N 1 0 391.537 4.132 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000175457410 822973857 /nfs/dbraw/zinc/97/38/57/822973857.db2.gz OWNIODGDLFLJMQ-KNQAVFIVSA-N 1 0 390.531 4.490 20 0 GIADRO Cc1cc(NC(=O)Cc2cccc(OCc3cccnc3)c2)ccc1C[NH+](C)C ZINC000458263781 822975204 /nfs/dbraw/zinc/97/52/04/822975204.db2.gz LNZGVDNCYGKVMS-UHFFFAOYSA-N 1 0 389.499 4.212 20 0 GIADRO Cc1cc(NC(=O)c2cccc(CSc3nccn3C)c2)ccc1C[NH+](C)C ZINC000458267066 822975685 /nfs/dbraw/zinc/97/56/85/822975685.db2.gz DVUCSCHGMFOPJC-UHFFFAOYSA-N 1 0 394.544 4.335 20 0 GIADRO CCCNC(=O)[C@H]1CCC[N@H+](Cc2nc(-c3ccccc3Cl)cs2)C1 ZINC000186896215 822976282 /nfs/dbraw/zinc/97/62/82/822976282.db2.gz WZIZXYYVPFJHGB-AWEZNQCLSA-N 1 0 377.941 4.202 20 0 GIADRO COCCSc1ccc([C@H](C)NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000569863316 822977625 /nfs/dbraw/zinc/97/76/25/822977625.db2.gz GDWNCJHSPABGCU-RXVVDRJESA-N 1 0 398.572 4.124 20 0 GIADRO Cc1cc(NC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)ccc1C[NH+](C)C ZINC000458282475 822977640 /nfs/dbraw/zinc/97/76/40/822977640.db2.gz MCNIRLKJXUMVNW-UHFFFAOYSA-N 1 0 376.460 4.236 20 0 GIADRO C[C@H](NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ncc(Br)cc1F ZINC000186907250 822978094 /nfs/dbraw/zinc/97/80/94/822978094.db2.gz BGGBCXPPBRRPTH-KBXCAEBGSA-N 1 0 392.316 4.471 20 0 GIADRO Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000186917248 822979951 /nfs/dbraw/zinc/97/99/51/822979951.db2.gz SCVQZCXHYCREDI-OXQOHEQNSA-N 1 0 396.922 4.255 20 0 GIADRO CCOc1cc(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)cc(Cl)c1O ZINC000186926008 822981304 /nfs/dbraw/zinc/98/13/04/822981304.db2.gz RPABPAARMALVJK-UHFFFAOYSA-N 1 0 394.943 4.217 20 0 GIADRO CC(C)[C@@H](C)C(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000569894843 822982018 /nfs/dbraw/zinc/98/20/18/822982018.db2.gz CCQXLRORTWULBY-OAHLLOKOSA-N 1 0 381.358 4.164 20 0 GIADRO Cc1ccc(OC[C@H](O)C[NH2+]Cc2cccc(OCc3ccccc3)c2)cc1 ZINC000569898116 822982921 /nfs/dbraw/zinc/98/29/21/822982921.db2.gz UHOWORIXTHSFRR-JOCHJYFZSA-N 1 0 377.484 4.104 20 0 GIADRO CC(C)(C)c1cc(CCC(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc(C(C)(C)C)c1O ZINC000186933723 822983167 /nfs/dbraw/zinc/98/31/67/822983167.db2.gz ZVEXPCUJZDAANB-SQGPQFPESA-N 1 0 386.580 4.116 20 0 GIADRO Cc1nc(COc2ccc(C[NH+]3CCC(c4ncccc4Cl)CC3)cc2)no1 ZINC000569908180 822984384 /nfs/dbraw/zinc/98/43/84/822984384.db2.gz IZXUPYHGOJSPFJ-UHFFFAOYSA-N 1 0 398.894 4.385 20 0 GIADRO Cc1ccc2c(C[NH+]3CCC(O)(Cc4cccc(F)c4)CC3)cc(=O)oc2c1C ZINC000186949187 822985057 /nfs/dbraw/zinc/98/50/57/822985057.db2.gz YKPYJLDBQNFPCE-UHFFFAOYSA-N 1 0 395.474 4.119 20 0 GIADRO O=C(c1cccc(Oc2cccc(C(F)(F)F)c2)c1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000569928207 822986893 /nfs/dbraw/zinc/98/68/93/822986893.db2.gz DILNQOMYKYZDPC-HZPDHXFCSA-N 1 0 390.405 4.179 20 0 GIADRO C[C@@H](N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1ncc(Br)cc1F ZINC000186961324 822987786 /nfs/dbraw/zinc/98/77/86/822987786.db2.gz YUFLAAIDSHQPDM-KDOFPFPSSA-N 1 0 392.316 4.471 20 0 GIADRO CN1C(=O)CCc2cc(C[NH+]3CCC([C@@H](O)c4ccc(Cl)cc4)CC3)ccc21 ZINC000186962457 822988178 /nfs/dbraw/zinc/98/81/78/822988178.db2.gz GKLHXULLLMANIH-QHCPKHFHSA-N 1 0 398.934 4.195 20 0 GIADRO CCS[C@H]1CCC[C@@H](NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000175515502 822988515 /nfs/dbraw/zinc/98/85/15/822988515.db2.gz QXPAIASEMJTJCG-UXHICEINSA-N 1 0 375.582 4.015 20 0 GIADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1cnc(Cl)c(Cl)c1 ZINC000175515367 822988530 /nfs/dbraw/zinc/98/85/30/822988530.db2.gz ZOBWPWHBXIDURF-UHFFFAOYSA-N 1 0 386.245 4.125 20 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/nfs/dbraw/zinc/99/39/65/822993965.db2.gz IYBYTNBSSUKDOF-ZIAGYGMSSA-N 1 0 378.289 4.160 20 0 GIADRO CO[C@@H](C)c1nc(C[NH2+][C@@H]2CCc3cccc(Br)c3C2)cs1 ZINC000569990902 822994237 /nfs/dbraw/zinc/99/42/37/822994237.db2.gz JJFPPOAKFGTVFZ-WCQYABFASA-N 1 0 381.339 4.260 20 0 GIADRO O[C@H](C[NH2+]CCCn1cnc2ccccc21)Cn1c2ccccc2c2ccccc21 ZINC000569995286 822994429 /nfs/dbraw/zinc/99/44/29/822994429.db2.gz OIXLRULNNHLLGK-LJQANCHMSA-N 1 0 398.510 4.185 20 0 GIADRO C[C@H](NC(=O)c1ccc2ncn(-c3ccc(Cl)cc3)c2c1)C1=CC[N@H+](C)CC1 ZINC000569999478 822994920 /nfs/dbraw/zinc/99/49/20/822994920.db2.gz ZQSPXOVFBSBEIP-HNNXBMFYSA-N 1 0 394.906 4.059 20 0 GIADRO COc1cc(C[NH2+][C@@H](C)Cc2ccc(C)s2)cc(OC)c1OCC(F)F ZINC000570002697 822995375 /nfs/dbraw/zinc/99/53/75/822995375.db2.gz CBEVGNVCAOPSPP-LBPRGKRZSA-N 1 0 385.476 4.438 20 0 GIADRO CC(C)OCCC[N@H+](C)CC(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1 ZINC000570011836 822996670 /nfs/dbraw/zinc/99/66/70/822996670.db2.gz BCTVIPPXYBUPCL-UHFFFAOYSA-N 1 0 398.551 4.215 20 0 GIADRO CC(C)CC[NH+]1CCC(CNC(=O)N[C@H](C)c2ncc(-c3ccccc3)o2)CC1 ZINC000175569502 822999542 /nfs/dbraw/zinc/99/95/42/822999542.db2.gz LLNLPTNSQSRDLC-GOSISDBHSA-N 1 0 398.551 4.460 20 0 GIADRO Cc1cccnc1C(C)(C)C[NH2+]C[C@@H](O)CO[C@@H](C)c1ccc(Cl)cc1 ZINC000570038662 822999862 /nfs/dbraw/zinc/99/98/62/822999862.db2.gz GKKQAODRHLWACL-QFBILLFUSA-N 1 0 376.928 4.049 20 0 GIADRO C[C@@H](CCNC(=O)NCc1coc(-c2ccccc2)n1)[N@H+](C)Cc1ccccc1 ZINC000175572182 823000145 /nfs/dbraw/zinc/00/01/45/823000145.db2.gz NLBOQIQJCQOKSC-SFHVURJKSA-N 1 0 392.503 4.051 20 0 GIADRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cc2cccc(Cl)c2s1 ZINC000570046302 823000544 /nfs/dbraw/zinc/00/05/44/823000544.db2.gz DOXKSXMPRFOXAO-IRXDYDNUSA-N 1 0 392.952 4.052 20 0 GIADRO CCc1ccc(Cl)c(CC)c1NC(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000175577073 823001051 /nfs/dbraw/zinc/00/10/51/823001051.db2.gz IYKLJEFIRDNTNG-UHFFFAOYSA-N 1 0 395.975 4.476 20 0 GIADRO O=C(N[C@@H]1CCc2ccc(-c3ccccc3)cc21)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000187034491 823001324 /nfs/dbraw/zinc/00/13/24/823001324.db2.gz KGXVXEFQEVALFI-RPWUZVMVSA-N 1 0 390.527 4.101 20 0 GIADRO COc1ccc(CC[NH2+]Cc2ccc(-c3cnn(C)c3)s2)c(Cl)c1OC ZINC000570062705 823001999 /nfs/dbraw/zinc/00/19/99/823001999.db2.gz VGPUMCDULPKHNM-UHFFFAOYSA-N 1 0 391.924 4.152 20 0 GIADRO COc1cccc([C@@H](C)[NH+]2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)c1 ZINC000175584778 823002133 /nfs/dbraw/zinc/00/21/33/823002133.db2.gz BCCGSZHLMHZVJM-CQSZACIVSA-N 1 0 388.895 4.466 20 0 GIADRO CCCN(Cc1c(F)cccc1Cl)C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000570064217 823002211 /nfs/dbraw/zinc/00/22/11/823002211.db2.gz DPRPUPYUSURIEI-AWEZNQCLSA-N 1 0 390.890 4.134 20 0 GIADRO OC[C@H](C[NH2+][C@@H]1CCCOc2ccccc21)Cc1ccccc1C(F)(F)F ZINC000570066771 823002662 /nfs/dbraw/zinc/00/26/62/823002662.db2.gz AJKIKNYXOKRICV-HNAYVOBHSA-N 1 0 379.422 4.360 20 0 GIADRO Cc1ccccc1[C@@H](OC[C@@H](O)C[NH2+]Cc1ccn(C(C)C)n1)c1ccccc1 ZINC000570081992 823004297 /nfs/dbraw/zinc/00/42/97/823004297.db2.gz CDWBJHPMVHRLEL-UPVQGACJSA-N 1 0 393.531 4.029 20 0 GIADRO CCOC1CC2(C1)CC[N@H+](Cc1cnn(-c3ccc(C(F)(F)F)cc3)c1)C2 ZINC000570084367 823004497 /nfs/dbraw/zinc/00/44/97/823004497.db2.gz GYOPLFNZNKUNTB-UHFFFAOYSA-N 1 0 379.426 4.282 20 0 GIADRO C/C(=C/c1ccccc1OC(F)F)C[NH2+][C@@H]1CCC[C@@H](C(=O)NC(C)C)C1 ZINC000570087954 823004766 /nfs/dbraw/zinc/00/47/66/823004766.db2.gz IVNJOBPGZYKBNP-GTHWOCLESA-N 1 0 380.479 4.364 20 0 GIADRO COc1ccc(-c2noc(C[N@@H+]3CC[C@@H](c4ccccc4)[C@@H]3C)n2)c(OC)c1 ZINC000175605201 823005486 /nfs/dbraw/zinc/00/54/86/823005486.db2.gz WKNXPMDEEIBMMS-MAUKXSAKSA-N 1 0 379.460 4.132 20 0 GIADRO Clc1ccc(Cc2nc(CN3CCC([C@H]4CCC[NH2+]4)CC3)cs2)cc1 ZINC000570097839 823005563 /nfs/dbraw/zinc/00/55/63/823005563.db2.gz LSMLGKRGRKFJQI-LJQANCHMSA-N 1 0 375.969 4.351 20 0 GIADRO C[C@H]([NH2+]C[C@H]1CC2c3ccccc3C1c1ccccc12)C1CCS(=O)(=O)CC1 ZINC000187083782 823008417 /nfs/dbraw/zinc/00/84/17/823008417.db2.gz QHCKDQXUUQJGDP-NISCGVPASA-N 1 0 395.568 4.087 20 0 GIADRO CC(C)(C)c1ccc(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)cc1Cl ZINC000570131371 823008799 /nfs/dbraw/zinc/00/87/99/823008799.db2.gz LNVNTRONMRWEBV-UHFFFAOYSA-N 1 0 385.939 4.427 20 0 GIADRO CC(C)[C@H](CNC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)c1cccnc1 ZINC000175625158 823008899 /nfs/dbraw/zinc/00/88/99/823008899.db2.gz YNFCGTSHHPIQTR-RBUKOAKNSA-N 1 0 386.565 4.019 20 0 GIADRO C[C@@H]([NH2+][C@H](c1cccs1)c1ccc(Cl)cc1)C1CCS(=O)(=O)CC1 ZINC000187089501 823009156 /nfs/dbraw/zinc/00/91/56/823009156.db2.gz INOXSLPCVBFKRJ-ACJLOTCBSA-N 1 0 383.966 4.294 20 0 GIADRO C[C@@H]([NH2+][C@@H](c1ccsc1)c1ccc(Cl)cc1)C1CCS(=O)(=O)CC1 ZINC000187091470 823009528 /nfs/dbraw/zinc/00/95/28/823009528.db2.gz URMVUJXLCGTULG-FZKQIMNGSA-N 1 0 383.966 4.294 20 0 GIADRO C[C@H]([NH2+][C@@H](c1ccsc1)c1ccc(Cl)cc1)C1CCS(=O)(=O)CC1 ZINC000187091454 823009594 /nfs/dbraw/zinc/00/95/94/823009594.db2.gz URMVUJXLCGTULG-SCLBCKFNSA-N 1 0 383.966 4.294 20 0 GIADRO COc1ccc(C[C@@H](C)C[NH2+]CCc2nccn2Cc2ccccc2)cc1F ZINC000187093666 823009870 /nfs/dbraw/zinc/00/98/70/823009870.db2.gz DNMBFPLCXPZRCG-GOSISDBHSA-N 1 0 381.495 4.090 20 0 GIADRO CC(C)OCC[NH+]1CCC(NC(=O)Nc2ccccc2OC2CCCC2)CC1 ZINC000175633230 823010063 /nfs/dbraw/zinc/01/00/63/823010063.db2.gz QMDOBAPGUSXABF-UHFFFAOYSA-N 1 0 389.540 4.019 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH2+]CC(=O)Nc1c(C)cccc1C ZINC000187095950 823010131 /nfs/dbraw/zinc/01/01/31/823010131.db2.gz ODJLDAHLJGUSRA-UHFFFAOYSA-N 1 0 375.472 4.102 20 0 GIADRO CC(C)(C[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1)c1ccccc1Cl ZINC000570150282 823010490 /nfs/dbraw/zinc/01/04/90/823010490.db2.gz VDSHBZDDXLSAII-MRXNPFEDSA-N 1 0 395.728 4.196 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)N2CCC(C(F)(F)F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000175635840 823010571 /nfs/dbraw/zinc/01/05/71/823010571.db2.gz JMJSITCWCVFBAK-CRAIPNDOSA-N 1 0 383.458 4.023 20 0 GIADRO COc1cc(C2(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)CC2)ccc1C ZINC000570164963 823011680 /nfs/dbraw/zinc/01/16/80/823011680.db2.gz ZDVBAEMETHERPS-KNQAVFIVSA-N 1 0 392.543 4.062 20 0 GIADRO CC[NH+](CC)[C@H](CN[C@@H](C)c1ncc(Br)cc1F)c1ccco1 ZINC000187110428 823011902 /nfs/dbraw/zinc/01/19/02/823011902.db2.gz KKEZORWIFXGHCF-SWLSCSKDSA-N 1 0 384.293 4.310 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000187111777 823012043 /nfs/dbraw/zinc/01/20/43/823012043.db2.gz FQILXHINHWIHRU-UHFFFAOYSA-N 1 0 396.874 4.472 20 0 GIADRO COc1ncc([C@@H](C)[NH2+]Cc2cc(Cl)ccc2N2CCOCC2)cc1Cl ZINC000570170740 823012118 /nfs/dbraw/zinc/01/21/18/823012118.db2.gz WZEIJHXUGJLQKG-CYBMUJFWSA-N 1 0 396.318 4.084 20 0 GIADRO CC(C)CCn1nc(CNC(=O)Nc2ccc3c(c2)C[NH2+]C3)c2ccccc21 ZINC000570184901 823013266 /nfs/dbraw/zinc/01/32/66/823013266.db2.gz ZHDYPICMFCEMHI-UHFFFAOYSA-N 1 0 377.492 4.007 20 0 GIADRO C[NH+](C)CCN(Cc1cccs1)C(=O)C[C@H](c1ccccc1)C(F)(F)F ZINC000175659120 823014479 /nfs/dbraw/zinc/01/44/79/823014479.db2.gz RZTYIOVQUYLGFX-QGZVFWFLSA-N 1 0 384.467 4.375 20 0 GIADRO O=C(Nc1nc(C2CC[NH2+]CC2)cs1)c1ccc(CCC(F)(F)F)cc1 ZINC000570199262 823014571 /nfs/dbraw/zinc/01/45/71/823014571.db2.gz XFVZDYJDQHBUQF-UHFFFAOYSA-N 1 0 383.439 4.357 20 0 GIADRO CCCC(=O)Nc1cccc(C[NH2+]Cc2cccc(Br)c2OC)c1 ZINC000187127525 823014766 /nfs/dbraw/zinc/01/47/66/823014766.db2.gz HWQPFPAFFGITAS-UHFFFAOYSA-N 1 0 391.309 4.486 20 0 GIADRO CSC1(CNC(=O)Nc2ccccc2N2CCCCCC2)CC[NH+](C)CC1 ZINC000570205037 823015295 /nfs/dbraw/zinc/01/52/95/823015295.db2.gz NJLQFVMRLZEIEK-UHFFFAOYSA-N 1 0 390.597 4.016 20 0 GIADRO COc1cc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)ccc1F ZINC000187137328 823016241 /nfs/dbraw/zinc/01/62/41/823016241.db2.gz YGEAHJFYKYPKTM-RXVVDRJESA-N 1 0 397.494 4.353 20 0 GIADRO O=C(NC1CC[NH+](Cc2cccnc2)CC1)c1ccc(OC2CCCCC2)cc1 ZINC000175670752 823016952 /nfs/dbraw/zinc/01/69/52/823016952.db2.gz CMXXIAPTQAXPAE-UHFFFAOYSA-N 1 0 393.531 4.188 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)c2c[nH]nc2-c2ccsc2)CC[N@@H+]1Cc1ccccc1 ZINC000187162771 823019503 /nfs/dbraw/zinc/01/95/03/823019503.db2.gz PQFXIDYBRSJFNR-VQIMIIECSA-N 1 0 394.544 4.263 20 0 GIADRO CN1C(=O)CCc2cc(C[NH2+]Cc3ccc(Br)cc3Cl)ccc21 ZINC000187167240 823019837 /nfs/dbraw/zinc/01/98/37/823019837.db2.gz PQQBTPQGYHYBRG-UHFFFAOYSA-N 1 0 393.712 4.301 20 0 GIADRO CCn1cnnc1-c1ccccc1NC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000187170947 823020455 /nfs/dbraw/zinc/02/04/55/823020455.db2.gz USOFLLCWNCNKAV-UHFFFAOYSA-N 1 0 398.555 4.131 20 0 GIADRO COC(=O)c1ccc(COc2ccc(C[NH2+][C@H]3CCC[C@@H](F)C3)cc2OC)o1 ZINC000570281129 823022028 /nfs/dbraw/zinc/02/20/28/823022028.db2.gz XEEYUVYWWRADHR-CVEARBPZSA-N 1 0 391.439 4.024 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000187194756 823023597 /nfs/dbraw/zinc/02/35/97/823023597.db2.gz PAPATVSSOTVMBR-KRWDZBQOSA-N 1 0 392.421 4.283 20 0 GIADRO COc1ccccc1SC[C@@H](C)C[NH2+]Cc1ccc2c(c1)CCC(=O)N2C ZINC000187201904 823024307 /nfs/dbraw/zinc/02/43/07/823024307.db2.gz IVTQWPUTIYTPEM-INIZCTEOSA-N 1 0 384.545 4.122 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]Cc2ccc3[nH]c(C)cc3c2)c1 ZINC000570309585 823024468 /nfs/dbraw/zinc/02/44/68/823024468.db2.gz IQHZFDZLFLBDJB-CQSZACIVSA-N 1 0 381.476 4.000 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1)C1CCSCC1 ZINC000187204490 823024583 /nfs/dbraw/zinc/02/45/83/823024583.db2.gz WTFJLKILAMQSRT-INIZCTEOSA-N 1 0 384.549 4.025 20 0 GIADRO Cc1cccc(N2CCC([NH2+][C@@H](C)c3ncc(Br)cc3F)CC2)n1 ZINC000187217463 823026325 /nfs/dbraw/zinc/02/63/25/823026325.db2.gz BAZDHIRXXASCPW-ZDUSSCGKSA-N 1 0 393.304 4.006 20 0 GIADRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)Nc1cccc(C[S@](=O)C(C)(C)C)c1 ZINC000187217799 823026538 /nfs/dbraw/zinc/02/65/38/823026538.db2.gz XKKDIBFFKWXMTR-SOKVYYICSA-N 1 0 393.597 4.120 20 0 GIADRO COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+][C@@H](CO)c2cccc(Br)c2)cc1 ZINC000570349835 823027904 /nfs/dbraw/zinc/02/79/04/823027904.db2.gz XTLVGVMFSPIRPM-AQWZQNETSA-N 1 0 390.321 4.273 20 0 GIADRO COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+][C@H](CO)c2cccc(Br)c2)cc1 ZINC000570349840 823027910 /nfs/dbraw/zinc/02/79/10/823027910.db2.gz XTLVGVMFSPIRPM-WNISUXOKSA-N 1 0 390.321 4.273 20 0 GIADRO Cn1cc([C@@H]2C[N@H+](Cc3c(Cl)cccc3Oc3ccccc3)C[C@H]2CO)cn1 ZINC000570358301 823028652 /nfs/dbraw/zinc/02/86/52/823028652.db2.gz FLYKVHZKGIJEKS-HKUYNNGSSA-N 1 0 397.906 4.074 20 0 GIADRO Cc1ccc(N2CCC([NH2+][C@H](C)c3ncc(Br)cc3F)CC2)nc1 ZINC000187242837 823029493 /nfs/dbraw/zinc/02/94/93/823029493.db2.gz LKDUHDNEMKFSMV-CYBMUJFWSA-N 1 0 393.304 4.006 20 0 GIADRO Cc1nc(-c2cccc(-c3nc([C@H]4C[N@@H+]5CCC[C@]5(C)CO4)no3)c2)cs1 ZINC000570365877 823029494 /nfs/dbraw/zinc/02/94/94/823029494.db2.gz TWBARTGHWWHWJG-YLJYHZDGSA-N 1 0 382.489 4.094 20 0 GIADRO Cc1ccccc1C[C@@H](C)NC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000175740726 823030104 /nfs/dbraw/zinc/03/01/04/823030104.db2.gz GIZRNBAEMXNLPO-IRLDBZIGSA-N 1 0 379.548 4.090 20 0 GIADRO COc1c(Br)cccc1C[NH2+]C[C@@H](O)c1cccc(OC(C)C)c1 ZINC000187247875 823030166 /nfs/dbraw/zinc/03/01/66/823030166.db2.gz GBGSYSALOXPEPD-GOSISDBHSA-N 1 0 394.309 4.068 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH2+]C[C@@H](O)c1cccc(OC(C)C)c1 ZINC000187247824 823030205 /nfs/dbraw/zinc/03/02/05/823030205.db2.gz PQOSVUSXFATJBG-HSZRJFAPSA-N 1 0 392.499 4.368 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH2+]C1CCN(c2cccc(C)n2)CC1 ZINC000187247631 823030214 /nfs/dbraw/zinc/03/02/14/823030214.db2.gz GFKGHMWHVZTONV-UHFFFAOYSA-N 1 0 388.515 4.219 20 0 GIADRO O=C(c1ccccc1F)N1CCC([NH2+]Cc2cscc2C(F)(F)F)CC1 ZINC000570369583 823030206 /nfs/dbraw/zinc/03/02/06/823030206.db2.gz VEFZIYRQHSBJBX-UHFFFAOYSA-N 1 0 386.414 4.300 20 0 GIADRO C[C@H]([NH2+]CCCn1cc(CO)nn1)c1ccc(-c2ccc(Cl)cc2F)s1 ZINC000570369752 823030229 /nfs/dbraw/zinc/03/02/29/823030229.db2.gz YQHCCFVCHPGWAI-LBPRGKRZSA-N 1 0 394.903 4.032 20 0 GIADRO Cc1cccnc1[C@H]([NH2+]C[C@H](O)c1ccc(F)c(Br)c1)C(C)C ZINC000187258846 823031791 /nfs/dbraw/zinc/03/17/91/823031791.db2.gz FYASWLCAIAHFKF-DLBZAZTESA-N 1 0 381.289 4.312 20 0 GIADRO CCCc1c(NC(=O)N2CCCC23CC[NH+](C)CC3)cnn1-c1ccc(F)cc1 ZINC000570383122 823031938 /nfs/dbraw/zinc/03/19/38/823031938.db2.gz JCSNZTNHANPCQE-UHFFFAOYSA-N 1 0 399.514 4.056 20 0 GIADRO C[C@@H](NC(=O)c1ccc(Oc2cccnc2)cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000187259243 823032051 /nfs/dbraw/zinc/03/20/51/823032051.db2.gz BPYIUYLVXCEREB-VGOFRKELSA-N 1 0 375.472 4.295 20 0 GIADRO CCn1nccc1C1CC[NH+](Cc2ccc(OC)cc2Br)CC1 ZINC000570386530 823032084 /nfs/dbraw/zinc/03/20/84/823032084.db2.gz XAQBLFVBGGRYLQ-UHFFFAOYSA-N 1 0 378.314 4.054 20 0 GIADRO O[C@@H](C[NH2+]C[C@@H](c1ccccc1)C(F)(F)F)COCc1ccc(Cl)cc1 ZINC000570390855 823032448 /nfs/dbraw/zinc/03/24/48/823032448.db2.gz RAMYZTYTIGEDDR-ROUUACIJSA-N 1 0 387.829 4.153 20 0 GIADRO O=C(Nc1ccc(SCC[NH+]2CCCCC2)cc1)N[C@@H](CO)c1ccccc1 ZINC000570396045 823032926 /nfs/dbraw/zinc/03/29/26/823032926.db2.gz VOOCLYJDUIJQDV-NRFANRHFSA-N 1 0 399.560 4.120 20 0 GIADRO C[C@@H]([NH2+]CCc1nc(C(F)(F)F)cs1)c1ncc(Br)cc1F ZINC000187264896 823032957 /nfs/dbraw/zinc/03/29/57/823032957.db2.gz YRTUTYUTAHDTLM-SSDOTTSWSA-N 1 0 398.223 4.352 20 0 GIADRO C[NH+](C)Cc1ccccc1CNC(=O)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000187266858 823033222 /nfs/dbraw/zinc/03/32/22/823033222.db2.gz SZHFFQSXDJPDIW-UHFFFAOYSA-N 1 0 394.412 4.254 20 0 GIADRO C[NH+](C)Cc1ccccc1CNC(=O)C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000187268190 823033488 /nfs/dbraw/zinc/03/34/88/823033488.db2.gz FIHWVGYDVIRRHM-UHFFFAOYSA-N 1 0 376.422 4.115 20 0 GIADRO Cc1cccc(CN(C)C(=O)NCc2ccccc2C[NH+]2CCCCCC2)n1 ZINC000458373138 823033641 /nfs/dbraw/zinc/03/36/41/823033641.db2.gz BCPFAICUTAXURN-UHFFFAOYSA-N 1 0 380.536 4.108 20 0 GIADRO COc1ccc(NC(=O)N(C)c2ccc(OCC[NH+]3CCCC3)cc2)c(C)c1 ZINC000570407456 823033959 /nfs/dbraw/zinc/03/39/59/823033959.db2.gz BWSJLHNBMHJTHB-UHFFFAOYSA-N 1 0 383.492 4.147 20 0 GIADRO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1Cc2cccc(F)c2C1 ZINC000458377577 823034239 /nfs/dbraw/zinc/03/42/39/823034239.db2.gz LTBVLGUDQVGYPD-IHWFROFDSA-N 1 0 379.479 4.047 20 0 GIADRO CCC(CC)(CNC(=O)NC[C@@H]1CC12CCOCC2)[NH2+][C@H](C)c1ccccc1 ZINC000458379129 823034495 /nfs/dbraw/zinc/03/44/95/823034495.db2.gz SOGIRVLWSZQCEW-QUCCMNQESA-N 1 0 387.568 4.012 20 0 GIADRO CCOCc1ccc(CNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)cc1 ZINC000175765792 823034503 /nfs/dbraw/zinc/03/45/03/823034503.db2.gz QAFFJXJOHRDAFI-UHFFFAOYSA-N 1 0 395.547 4.029 20 0 GIADRO Cc1ccc([C@@H]2OCCC[C@H]2C[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)cc1 ZINC000187273595 823034879 /nfs/dbraw/zinc/03/48/79/823034879.db2.gz ZXLDVPQVYOIIJM-URXFXBBRSA-N 1 0 378.516 4.162 20 0 GIADRO CO[C@@H]1CCOc2c(NC(=O)c3cccc(C[NH+]4CCCCC4)c3)cccc21 ZINC000570418621 823035190 /nfs/dbraw/zinc/03/51/90/823035190.db2.gz JXRIJCDOVVNASN-OAQYLSRUSA-N 1 0 380.488 4.395 20 0 GIADRO CN(C(=O)N[C@H]1CCC[C@@H]1c1ccccc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458385115 823035278 /nfs/dbraw/zinc/03/52/78/823035278.db2.gz MGIWYUDCCPGRKE-MOPGFXCFSA-N 1 0 397.485 4.381 20 0 GIADRO CC[C@@](C)([NH2+]C[C@H](O)c1ccc(F)c(Br)c1)c1nc(C)cs1 ZINC000187275024 823035336 /nfs/dbraw/zinc/03/53/36/823035336.db2.gz PTTZDZCSVSDPND-GOEBONIOSA-N 1 0 387.318 4.302 20 0 GIADRO CC(C)[C@H](NC(=O)N1CCC(OCCC[NH+](C)C)CC1)c1ccccc1Cl ZINC000175769793 823036110 /nfs/dbraw/zinc/03/61/10/823036110.db2.gz JEDKZIFTXUVUEH-FQEVSTJZSA-N 1 0 395.975 4.179 20 0 GIADRO C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2ccccc2Br)c2ccccc21 ZINC000570430393 823037029 /nfs/dbraw/zinc/03/70/29/823037029.db2.gz MQSQWQUVPVOMFF-HBUWYVDXSA-N 1 0 376.294 4.027 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)NCc1ccc(-c2ccncc2)cc1 ZINC000458410928 823037619 /nfs/dbraw/zinc/03/76/19/823037619.db2.gz DISBBPQYQZZNRY-UHFFFAOYSA-N 1 0 394.544 4.084 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)N2CC(C)(CC(F)(F)F)C2)[C@H]1c1cccs1 ZINC000458414750 823038027 /nfs/dbraw/zinc/03/80/27/823038027.db2.gz CXUWXZVEZRGGQA-ZFWWWQNUSA-N 1 0 389.487 4.115 20 0 GIADRO C[C@@H](O)CC(C)(C)CNC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000175778703 823038245 /nfs/dbraw/zinc/03/82/45/823038245.db2.gz APSWZMOSXKWAAG-GOSISDBHSA-N 1 0 389.584 4.047 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1c1ccccc1)c1nnc(-c2ccccc2F)s1 ZINC000570437913 823038352 /nfs/dbraw/zinc/03/83/52/823038352.db2.gz HYEOQRJPNLPWIU-GDIGMMSISA-N 1 0 382.508 4.440 20 0 GIADRO Cc1cn2cc(NC(=O)NC[C@@H]3CCCC[N@H+](Cc4ccccc4)C3)ccc2n1 ZINC000570439313 823038469 /nfs/dbraw/zinc/03/84/69/823038469.db2.gz UVEJCPKHVFTYCP-FQEVSTJZSA-N 1 0 391.519 4.067 20 0 GIADRO c1ccc(C[N@@H+]2CC[C@H]3CN(c4nc(-c5ccccc5)ns4)C[C@@H]3C2)cc1 ZINC000570443421 823039279 /nfs/dbraw/zinc/03/92/79/823039279.db2.gz ZLAGMZFUOXIZPS-PMACEKPBSA-N 1 0 376.529 4.163 20 0 GIADRO C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@@H](O)COC(c1ccccc1)c1ccccc1 ZINC000570444464 823039294 /nfs/dbraw/zinc/03/92/94/823039294.db2.gz JFNDQSBWJJMMOO-NTKDMRAZSA-N 1 0 391.511 4.080 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)C1CCSCC1 ZINC000187299716 823039273 /nfs/dbraw/zinc/03/92/73/823039273.db2.gz MSGKEKHHGGFPBD-BXUZGUMPSA-N 1 0 393.906 4.454 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)CC[N@@H+]1C ZINC000187299600 823039321 /nfs/dbraw/zinc/03/93/21/823039321.db2.gz IOIMLIILQAQJEZ-ZIAGYGMSSA-N 1 0 396.409 4.400 20 0 GIADRO C[C@H](O)C[C@@H](C[NH2+][C@@H](C)c1ncc(Br)cc1F)c1ccccc1 ZINC000187302566 823039879 /nfs/dbraw/zinc/03/98/79/823039879.db2.gz LYMSCUVKZBUIHB-YDHLFZDLSA-N 1 0 381.289 4.189 20 0 GIADRO CN(C(=O)N[C@H]1C[C@@H]1C1CCCCC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458453148 823042312 /nfs/dbraw/zinc/04/23/12/823042312.db2.gz YAFQROLUJKSRPU-SJORKVTESA-N 1 0 375.479 4.013 20 0 GIADRO O=C(NCC1(c2cccc(Cl)c2)CC1)NC1CC[NH+](C2CCCC2)CC1 ZINC000175798446 823042964 /nfs/dbraw/zinc/04/29/64/823042964.db2.gz GNRAWFDWLFDEGZ-UHFFFAOYSA-N 1 0 375.944 4.078 20 0 GIADRO C[C@H](NC(=O)Nc1ccc(-c2cc[nH]n2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000570473551 823042954 /nfs/dbraw/zinc/04/29/54/823042954.db2.gz YCVOFULUMMXKML-FXAWDEMLSA-N 1 0 389.503 4.109 20 0 GIADRO CCOC(=O)[C@H](NC1CC[NH+](Cc2ccccc2Cl)CC1)c1ccccc1 ZINC000570473893 823042968 /nfs/dbraw/zinc/04/29/68/823042968.db2.gz WJHWFCYEUUYTKU-OAQYLSRUSA-N 1 0 386.923 4.198 20 0 GIADRO Cc1c(C[NH+]2CCSCC2)cccc1NCc1ccc2c(c1)CCC(=O)N2C ZINC000187320451 823043067 /nfs/dbraw/zinc/04/30/67/823043067.db2.gz JMHPAUMNDGLFDZ-UHFFFAOYSA-N 1 0 395.572 4.065 20 0 GIADRO OCCC1(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)CCCCC1 ZINC000175801248 823043523 /nfs/dbraw/zinc/04/35/23/823043523.db2.gz XKRJIZCYKAYXNL-UHFFFAOYSA-N 1 0 390.531 4.357 20 0 GIADRO OCCC1(C[NH2+]CC2=Cc3cc(Br)ccc3OC2)CCCCC1 ZINC000175801911 823043668 /nfs/dbraw/zinc/04/36/68/823043668.db2.gz AOIZKGCHBKASCL-UHFFFAOYSA-N 1 0 380.326 4.147 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)Nc2ccc(N3CCc4sccc4C3)cc2)CC[N@@H+]1C ZINC000175802663 823043854 /nfs/dbraw/zinc/04/38/54/823043854.db2.gz DGCAIROLAUZWSQ-OXJNMPFZSA-N 1 0 398.576 4.257 20 0 GIADRO Cc1cccc2cc(C(=O)N3CCC(CCC[NH+]4CCOCC4)CC3)sc21 ZINC000570482301 823043993 /nfs/dbraw/zinc/04/39/93/823043993.db2.gz KEMAMJSYOLIFDT-UHFFFAOYSA-N 1 0 386.561 4.174 20 0 GIADRO CS(=O)(=O)C1(C[NH2+]CCCCc2ccc(Cl)c(Cl)c2)CCCC1 ZINC000570484647 823044524 /nfs/dbraw/zinc/04/45/24/823044524.db2.gz IACKERDQDRGINI-UHFFFAOYSA-N 1 0 378.365 4.263 20 0 GIADRO Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000060554180 823541696 /nfs/dbraw/zinc/54/16/96/823541696.db2.gz RIKKMAUERXXFLQ-UHFFFAOYSA-N 1 0 377.488 4.192 20 0 GIADRO Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000060553399 823541705 /nfs/dbraw/zinc/54/17/05/823541705.db2.gz QLALYTJLHZNMGI-MRXNPFEDSA-N 1 0 393.597 4.281 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)C1(c2ccc(Br)cc2)CC1)C1CCCCC1 ZINC000060553764 823541720 /nfs/dbraw/zinc/54/17/20/823541720.db2.gz DKUKEQQRSCKFCG-SFHVURJKSA-N 1 0 393.369 4.107 20 0 GIADRO Cc1cc(C[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)c2ccccc2n1 ZINC000123799045 823541817 /nfs/dbraw/zinc/54/18/17/823541817.db2.gz SXFWVTRVTNLRDD-SFHVURJKSA-N 1 0 375.520 4.241 20 0 GIADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2cccc3cccnc32)CC1 ZINC000060559958 823542314 /nfs/dbraw/zinc/54/23/14/823542314.db2.gz KTOAIVFTALDEJI-UHFFFAOYSA-N 1 0 394.906 4.282 20 0 GIADRO CC(C)(C)[N@@H+]1CCCN(C(=O)NCCOc2ccccc2-c2ccccc2)CC1 ZINC000060562899 823542519 /nfs/dbraw/zinc/54/25/19/823542519.db2.gz WSXYNFPZAICLCG-UHFFFAOYSA-N 1 0 395.547 4.248 20 0 GIADRO C[N@@H+]1CC[C@H](CNC(=O)Cc2cc(F)ccc2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123817162 823543023 /nfs/dbraw/zinc/54/30/23/823543023.db2.gz RMTKSSAQLPHVQM-XCLFUZPHSA-N 1 0 396.840 4.109 20 0 GIADRO Cc1noc(C)c1CCC(=O)N(CCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000411097653 823545357 /nfs/dbraw/zinc/54/53/57/823545357.db2.gz CMBQWSFGRKXNHI-UHFFFAOYSA-N 1 0 389.927 4.397 20 0 GIADRO CCCc1nc(C(=O)N(CCC[NH+]2CCCC2)c2ccc(Cl)cc2)co1 ZINC000411099998 823545804 /nfs/dbraw/zinc/54/58/04/823545804.db2.gz HTVULLUWJGVHAJ-UHFFFAOYSA-N 1 0 375.900 4.413 20 0 GIADRO COc1ccccc1C[N@@H+](Cc1ccc(OC(F)F)cc1)C[C@@H]1CCCO1 ZINC000060594463 823546090 /nfs/dbraw/zinc/54/60/90/823546090.db2.gz XLHJIUGYZNDHMA-IBGZPJMESA-N 1 0 377.431 4.478 20 0 GIADRO CC[NH+](CC)CCOc1ccc(NC(=O)c2cnn(C(C)C)c2C2CC2)cc1 ZINC000123855423 823546187 /nfs/dbraw/zinc/54/61/87/823546187.db2.gz JOQMQRVJXARQKU-UHFFFAOYSA-N 1 0 384.524 4.314 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CCOc2ccccc2Br)c1 ZINC000177919229 823546229 /nfs/dbraw/zinc/54/62/29/823546229.db2.gz ROPUIFJRYTYNIT-CYBMUJFWSA-N 1 0 377.282 4.137 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)c1ccc2c(c1)CCC2 ZINC000177920990 823546366 /nfs/dbraw/zinc/54/63/66/823546366.db2.gz WCHOUIIXUNYHCH-QRVBRYPASA-N 1 0 392.543 4.276 20 0 GIADRO COC(=O)c1cc(NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)c(C)s1 ZINC000411103365 823546453 /nfs/dbraw/zinc/54/64/53/823546453.db2.gz PNHJFAOPHKKTAW-UHFFFAOYSA-N 1 0 386.517 4.084 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F)c1ccccc1 ZINC000123857989 823546547 /nfs/dbraw/zinc/54/65/47/823546547.db2.gz ILNGURNIAVHKCX-KZNAEPCWSA-N 1 0 392.421 4.108 20 0 GIADRO O=C(c1cnc(C2CC2)nc1)N(CCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000411105684 823547220 /nfs/dbraw/zinc/54/72/20/823547220.db2.gz YAHSATSAGYXJFT-UHFFFAOYSA-N 1 0 384.911 4.140 20 0 GIADRO O=C(Nc1ccc(F)cc1)NC1CC[NH+](Cc2cc(F)cc3cccnc32)CC1 ZINC000123864179 823547344 /nfs/dbraw/zinc/54/73/44/823547344.db2.gz VMLKRRQUQPNQLG-UHFFFAOYSA-N 1 0 396.441 4.299 20 0 GIADRO CCOCCCC(=O)Nc1ccc(C[NH+]2CCN(c3cccc(C)c3)CC2)cc1 ZINC000060630935 823549348 /nfs/dbraw/zinc/54/93/48/823549348.db2.gz JJMVYZHOQJQMFT-UHFFFAOYSA-N 1 0 395.547 4.072 20 0 GIADRO CCN(C(=O)C(=O)Nc1cccc2c1C[N@@H+]([C@@H](C)C(C)C)C2)C1CCCCC1 ZINC000190198545 823550071 /nfs/dbraw/zinc/55/00/71/823550071.db2.gz RPPUQEIOFCRRSM-KRWDZBQOSA-N 1 0 385.552 4.166 20 0 GIADRO O=C(NCc1ccccc1)C1CC[NH+](Cc2ccc(-c3ncco3)cc2F)CC1 ZINC000411128080 823550281 /nfs/dbraw/zinc/55/02/81/823550281.db2.gz DIQIPKRSQXSJRH-UHFFFAOYSA-N 1 0 393.462 4.009 20 0 GIADRO COc1ccc([C@H](C)[N@H+](C)CCC(=O)Nc2ccccc2Br)cc1 ZINC000411129089 823550578 /nfs/dbraw/zinc/55/05/78/823550578.db2.gz UPBYPSVHGQAGMR-AWEZNQCLSA-N 1 0 391.309 4.479 20 0 GIADRO Cc1cc(C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)ccc1NC(=O)CC(C)C ZINC000460963064 823551496 /nfs/dbraw/zinc/55/14/96/823551496.db2.gz NRXCHIWRPDVGPU-SBUREZEXSA-N 1 0 387.568 4.220 20 0 GIADRO Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+][C@@H]1CCc2ccc(C(C)C)cc21 ZINC000190235850 823554224 /nfs/dbraw/zinc/55/42/24/823554224.db2.gz ROYCOZVGHHYPBY-JOCHJYFZSA-N 1 0 383.536 4.352 20 0 GIADRO CC[C@H](C(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1)c1ccc(F)cc1 ZINC000460980795 823555107 /nfs/dbraw/zinc/55/51/07/823555107.db2.gz NVQHVYRLZIPOMZ-QHCPKHFHSA-N 1 0 398.522 4.356 20 0 GIADRO COc1ccccc1[C@@H]1C[C@H]1C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000411184427 823555297 /nfs/dbraw/zinc/55/52/97/823555297.db2.gz KZSRBZXUKZYEAT-FCHUYYIVSA-N 1 0 378.516 4.101 20 0 GIADRO COc1cccc(C[NH2+]CCc2nc(-c3ccccn3)cs2)c1OC(C)C ZINC000123958396 823555499 /nfs/dbraw/zinc/55/54/99/823555499.db2.gz JLEKSXUNRFBBEC-UHFFFAOYSA-N 1 0 383.517 4.333 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)CCC(=O)c2csc3ccccc23)cc1 ZINC000123960276 823555584 /nfs/dbraw/zinc/55/55/84/823555584.db2.gz GFQSKUWFMCQSSQ-UHFFFAOYSA-N 1 0 380.513 4.242 20 0 GIADRO Cc1nn(C)c2ncc(C[N@@H+]3CCCCC[C@@H]3C[C@H](O)c3ccccc3)cc12 ZINC000123961959 823555771 /nfs/dbraw/zinc/55/57/71/823555771.db2.gz MNWYURWGMJTRNB-IRLDBZIGSA-N 1 0 378.520 4.145 20 0 GIADRO O=C(N1CCC(C[NH+]2CCCC2)CC1)C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000460987303 823556156 /nfs/dbraw/zinc/55/61/56/823556156.db2.gz JCXALCQDABHPRK-UHFFFAOYSA-N 1 0 394.481 4.462 20 0 GIADRO COc1ccc(C[NH2+]CCc2nc(-c3ccccn3)cs2)cc1OC(F)F ZINC000123971188 823556671 /nfs/dbraw/zinc/55/66/71/823556671.db2.gz OTCPZDXNYZVIDY-UHFFFAOYSA-N 1 0 391.443 4.147 20 0 GIADRO Cc1cc(C)c(Br)c(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000460998376 823556989 /nfs/dbraw/zinc/55/69/89/823556989.db2.gz FBUFFSJZWONGOI-INIZCTEOSA-N 1 0 379.342 4.156 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)[C@@]3(C)C[C@@H]3c3ccccc3)c(C)c2)CC1 ZINC000411210894 823557505 /nfs/dbraw/zinc/55/75/05/823557505.db2.gz QZUIAAYWHJNQMV-QPPBQGQZSA-N 1 0 377.532 4.269 20 0 GIADRO O=C(Nc1ccc(N2CCCC2=O)cc1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000411211648 823557690 /nfs/dbraw/zinc/55/76/90/823557690.db2.gz SVIZUGKIVJBKBJ-UHFFFAOYSA-N 1 0 377.488 4.052 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1ccc(OC)cc1OC(F)F ZINC000190276904 823558537 /nfs/dbraw/zinc/55/85/37/823558537.db2.gz XPABCGXETVDVMF-UHFFFAOYSA-N 1 0 392.446 4.021 20 0 GIADRO CN(C)C(=O)c1cccc(C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2ccccc2)c1 ZINC000123996063 823558555 /nfs/dbraw/zinc/55/85/55/823558555.db2.gz OCLUWQFTUOWRCF-GOTSBHOMSA-N 1 0 380.532 4.257 20 0 GIADRO CN(C)C(=O)c1cccc(C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2ccccc2)c1 ZINC000123995800 823558614 /nfs/dbraw/zinc/55/86/14/823558614.db2.gz OCLUWQFTUOWRCF-PKTZIBPZSA-N 1 0 380.532 4.257 20 0 GIADRO COc1cc(C[N@H+](C)C[C@H](O)COc2ccc(SC)cc2)ccc1SC ZINC000411225266 823558667 /nfs/dbraw/zinc/55/86/67/823558667.db2.gz RUZCIWLZRIOHGV-INIZCTEOSA-N 1 0 393.574 4.011 20 0 GIADRO O=C(Nc1nc(-c2cccc(F)c2)cs1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000411225855 823558811 /nfs/dbraw/zinc/55/88/11/823558811.db2.gz SDWQOIUVIKPLNR-MRXNPFEDSA-N 1 0 391.537 4.105 20 0 GIADRO Cc1ccc(-c2nnc(N3C[C@H]([NH+]4CCCC4)C[C@H]3C)n2Cc2cccs2)o1 ZINC000461013311 823559127 /nfs/dbraw/zinc/55/91/27/823559127.db2.gz FJHRZBLHJFPBPI-NVXWUHKLSA-N 1 0 397.548 4.019 20 0 GIADRO COc1cc(C[NH2+]CCc2ccc(F)c(F)c2)ccc1OCc1ccncc1 ZINC000190285827 823559199 /nfs/dbraw/zinc/55/91/99/823559199.db2.gz UDDQQUXTVKIIFT-UHFFFAOYSA-N 1 0 384.426 4.280 20 0 GIADRO COc1ccc2oc(C[NH2+]Cc3ccccc3CN3C[C@@H](C)O[C@@H](C)C3)cc2c1 ZINC000124005760 823559200 /nfs/dbraw/zinc/55/92/00/823559200.db2.gz YDXCZYUACZYUAG-HDICACEKSA-N 1 0 394.515 4.340 20 0 GIADRO Brc1cc(C[NH2+]CCn2ccnc2)ccc1OCc1ccccc1 ZINC000060831223 823560818 /nfs/dbraw/zinc/56/08/18/823560818.db2.gz MQXHIZXHVXHXKB-UHFFFAOYSA-N 1 0 386.293 4.014 20 0 GIADRO CCc1ccc([C@@H](C[NH2+]Cc2cc(Cl)c(OC)c(OC)c2)N(C)C)cc1 ZINC000060831899 823560910 /nfs/dbraw/zinc/56/09/10/823560910.db2.gz JIICKBJTIKZIBA-LJQANCHMSA-N 1 0 376.928 4.312 20 0 GIADRO COc1cc(Br)c(C[NH2+][C@@H]2CCc3ccccc3C2)cc1OC ZINC000060831606 823560952 /nfs/dbraw/zinc/56/09/52/823560952.db2.gz UZXXCFYGQVCKTJ-MRXNPFEDSA-N 1 0 376.294 4.113 20 0 GIADRO Cc1ccc(C[NH2+]Cc2cccc3c2OC(C)(C)C3)c(-n2cc(Cl)cn2)n1 ZINC000190305206 823561054 /nfs/dbraw/zinc/56/10/54/823561054.db2.gz SXIDTXVDSYGTCP-UHFFFAOYSA-N 1 0 382.895 4.232 20 0 GIADRO Cc1ccc(C[NH2+]Cc2ccccc2OC(F)(F)F)c(-n2cc(Cl)cn2)n1 ZINC000190309134 823561517 /nfs/dbraw/zinc/56/15/17/823561517.db2.gz OLQJDRJBQILGKV-UHFFFAOYSA-N 1 0 396.800 4.418 20 0 GIADRO COc1ccc(C[N@H+](C)C[C@@H](O)COc2cc(Cl)ccc2Cl)cc1F ZINC000060845501 823561666 /nfs/dbraw/zinc/56/16/66/823561666.db2.gz SJNXEGZIAOMQDP-CQSZACIVSA-N 1 0 388.266 4.013 20 0 GIADRO FC(F)(F)c1nc2ccccc2c(NC[C@H](c2ccco2)[NH+]2CCCC2)n1 ZINC000060846804 823561884 /nfs/dbraw/zinc/56/18/84/823561884.db2.gz GCRQRZVDDJILCZ-OAHLLOKOSA-N 1 0 376.382 4.491 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)C2CC[NH+](Cc3ccc(C)cc3C)CC2)c1 ZINC000124054729 823563670 /nfs/dbraw/zinc/56/36/70/823563670.db2.gz VRUCTYYWLGQOBD-UHFFFAOYSA-N 1 0 379.504 4.113 20 0 GIADRO CCOCC[N@@H+]1CCN(C(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)C[C@H]1CC ZINC000461039607 823563706 /nfs/dbraw/zinc/56/37/06/823563706.db2.gz XHUXKXIIWXNZMY-GUDVDZBRSA-N 1 0 399.362 4.056 20 0 GIADRO Cc1cc(C(O)=CONC(=[NH2+])CCCc2ccccc2)c(C)n1-c1nccs1 ZINC000060875359 823564023 /nfs/dbraw/zinc/56/40/23/823564023.db2.gz HJHDTFPSYNADBZ-UHFFFAOYSA-N 1 0 396.516 4.045 20 0 GIADRO O=C(CC[N@H+](C[C@H]1CCCO1)C1CCCC1)Nc1ccccc1Br ZINC000411316041 823564252 /nfs/dbraw/zinc/56/42/52/823564252.db2.gz VUDOCKNVBRDBFO-MRXNPFEDSA-N 1 0 395.341 4.201 20 0 GIADRO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000411341514 823565388 /nfs/dbraw/zinc/56/53/88/823565388.db2.gz UMOSDIBLKOZFSX-LJQANCHMSA-N 1 0 378.969 4.049 20 0 GIADRO COc1ccc(CCNC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000060908872 823565710 /nfs/dbraw/zinc/56/57/10/823565710.db2.gz URFJKXCSHMKYBI-LJQANCHMSA-N 1 0 395.547 4.112 20 0 GIADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cc(NC(=O)CC(C)(C)C)ccc1Cl ZINC000461050777 823565934 /nfs/dbraw/zinc/56/59/34/823565934.db2.gz UJUKSESQKMUDPA-OAHLLOKOSA-N 1 0 393.959 4.129 20 0 GIADRO CC(C)CC[N@@H+]1Cc2cccc(NC(=O)c3ccc(C(=O)NC(C)C)cc3)c2C1 ZINC000124084288 823566190 /nfs/dbraw/zinc/56/61/90/823566190.db2.gz OQEGKDPBLWDLRN-UHFFFAOYSA-N 1 0 393.531 4.439 20 0 GIADRO C[C@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000411358650 823566320 /nfs/dbraw/zinc/56/63/20/823566320.db2.gz COZGEHBRHUAIHK-SUMWQHHRSA-N 1 0 386.483 4.100 20 0 GIADRO CCC[N@H+](C[C@@H]1CCCCO1)[C@H](C)C(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000411362742 823566537 /nfs/dbraw/zinc/56/65/37/823566537.db2.gz CCFHFIHBGLFNQE-CTNGQTDRSA-N 1 0 398.551 4.097 20 0 GIADRO Cc1cc(C(=O)CCC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)c(C)s1 ZINC000124090111 823566817 /nfs/dbraw/zinc/56/68/17/823566817.db2.gz DKENYGHQAXGFGD-UHFFFAOYSA-N 1 0 388.533 4.044 20 0 GIADRO Cc1ccc([C@H](CNS(=O)(=O)C2=Cc3ccccc3CC2)[NH+]2CCCC2)cc1 ZINC000060920462 823566917 /nfs/dbraw/zinc/56/69/17/823566917.db2.gz XFJLPSBVFNCTQV-QHCPKHFHSA-N 1 0 396.556 4.039 20 0 GIADRO CCCc1cc(N2CCC(C(=O)Nc3cc(C)on3)CC2)c2ccccc2[nH+]1 ZINC000124093944 823567171 /nfs/dbraw/zinc/56/71/71/823567171.db2.gz CPOAUORIHAJNDO-UHFFFAOYSA-N 1 0 378.476 4.339 20 0 GIADRO CC(C)[N@H+](CCC(=O)N[C@@H](c1cccs1)c1ccccc1)C1CCOCC1 ZINC000411379129 823567698 /nfs/dbraw/zinc/56/76/98/823567698.db2.gz BFSLHTZUQAVQPR-JOCHJYFZSA-N 1 0 386.561 4.233 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)Nc1cc2c(cc1Cl)OCO2 ZINC000124102180 823567901 /nfs/dbraw/zinc/56/79/01/823567901.db2.gz LIDULVVCGFPRTL-UHFFFAOYSA-N 1 0 389.883 4.231 20 0 GIADRO Cc1cccc(C)c1NCC(=O)Nc1ccc(OCC[NH+]2CCCC2)c(C)c1 ZINC000461063229 823568440 /nfs/dbraw/zinc/56/84/40/823568440.db2.gz IIYLQFKXSSLCIN-UHFFFAOYSA-N 1 0 381.520 4.137 20 0 GIADRO Cc1ccccc1-c1csc(NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)n1 ZINC000411391167 823569292 /nfs/dbraw/zinc/56/92/92/823569292.db2.gz QUIQNVWYUYQFNC-MRXNPFEDSA-N 1 0 387.574 4.275 20 0 GIADRO COCCC[NH2+]Cc1ccc(OCc2ccc(Br)cc2)c(OC)c1 ZINC000060958406 823569474 /nfs/dbraw/zinc/56/94/74/823569474.db2.gz LZDYMEFKBBGODH-UHFFFAOYSA-N 1 0 394.309 4.163 20 0 GIADRO C[N@H+](CCC(=O)Nc1ccc(OCc2ccccc2)cc1)C1CCC(CO)CC1 ZINC000411395060 823569605 /nfs/dbraw/zinc/56/96/05/823569605.db2.gz CDIRKYDNEOYVRA-UHFFFAOYSA-N 1 0 396.531 4.077 20 0 GIADRO COC(=O)[C@@H](C)[C@@H]([NH2+]CCc1nc(-c2cccc(Cl)c2)no1)c1ccccc1 ZINC000411396871 823570061 /nfs/dbraw/zinc/57/00/61/823570061.db2.gz YIPLNZHDDFZRHR-IFXJQAMLSA-N 1 0 399.878 4.073 20 0 GIADRO Cc1cccc(C)c1NCC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000461076600 823571397 /nfs/dbraw/zinc/57/13/97/823571397.db2.gz PFZQIYIEQHACQB-RBBKRZOGSA-N 1 0 379.548 4.227 20 0 GIADRO Cc1ccc([C@H](C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)N2CCCC2)o1 ZINC000124144154 823571557 /nfs/dbraw/zinc/57/15/57/823571557.db2.gz JJURNGDOOKSSNO-ACBHZAAOSA-N 1 0 376.541 4.215 20 0 GIADRO CC[C@]1(C)Oc2ccc(NC(=O)NC[C@H](c3cccs3)[NH+](C)C)cc2O1 ZINC000190422747 823571661 /nfs/dbraw/zinc/57/16/61/823571661.db2.gz AQRWUUZQCJQSNL-AUUYWEPGSA-N 1 0 375.494 4.070 20 0 GIADRO O=S1(=O)CCCN1c1ccc(C[NH2+][C@H]2CCCc3c(Cl)cccc32)cc1 ZINC000461080276 823572157 /nfs/dbraw/zinc/57/21/57/823572157.db2.gz ITOLBBSQZFUEJH-FQEVSTJZSA-N 1 0 390.936 4.047 20 0 GIADRO COCCC[NH2+]Cc1c(C)nn(Cc2c(Cl)cccc2Cl)c1Cl ZINC000061002854 823572141 /nfs/dbraw/zinc/57/21/41/823572141.db2.gz WJTYQOCXRXVLNJ-UHFFFAOYSA-N 1 0 376.715 4.326 20 0 GIADRO O=C(C[C@H](Cc1ccccc1)c1ccccc1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000461080727 823572250 /nfs/dbraw/zinc/57/22/50/823572250.db2.gz DBHLJDRICRVEDW-BJKOFHAPSA-N 1 0 376.544 4.490 20 0 GIADRO COc1ccc(C(=O)Nc2cccc(CNC3CC(C)(C)[NH2+]C(C)(C)C3)c2)cc1 ZINC000061003158 823572367 /nfs/dbraw/zinc/57/23/67/823572367.db2.gz UFZICEKRMBDFCV-UHFFFAOYSA-N 1 0 395.547 4.346 20 0 GIADRO O=S1(=O)CCCN1c1ccc(C[NH2+][C@H]2CCC[C@@H]2CCc2ccccc2)cc1 ZINC000461082561 823572719 /nfs/dbraw/zinc/57/27/19/823572719.db2.gz ICFLUXXGQIFJJH-GGAORHGYSA-N 1 0 398.572 4.118 20 0 GIADRO Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+]C[C@@H](c1cccc(F)c1)N(C)C ZINC000061014930 823572955 /nfs/dbraw/zinc/57/29/55/823572955.db2.gz JLMCYNWBYMVHHW-FQEVSTJZSA-N 1 0 386.902 4.366 20 0 GIADRO O=C(CC[N@H+](Cc1ccncc1)C1CC1)NC(c1ccccc1)c1ccccc1 ZINC000411425883 823572938 /nfs/dbraw/zinc/57/29/38/823572938.db2.gz YFZCRUYILSOJKW-UHFFFAOYSA-N 1 0 385.511 4.342 20 0 GIADRO Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000061012982 823572973 /nfs/dbraw/zinc/57/29/73/823572973.db2.gz JNIJZWTZLWVIJX-GOSISDBHSA-N 1 0 397.906 4.131 20 0 GIADRO C[N@H+](CCCn1ccnc1)CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000411425730 823572992 /nfs/dbraw/zinc/57/29/92/823572992.db2.gz ORYJRGODNFCSNA-UHFFFAOYSA-N 1 0 378.476 4.026 20 0 GIADRO CCC[NH+]1CCC(NCc2c(C)nn(-c3cccc(Cl)c3)c2Cl)CC1 ZINC000061016476 823573065 /nfs/dbraw/zinc/57/30/65/823573065.db2.gz FPXSUZVMPWIYHV-UHFFFAOYSA-N 1 0 381.351 4.452 20 0 GIADRO CC1CC[NH+](Cc2ccc(CNC(=O)NCCCOC3CCCC3)cc2)CC1 ZINC000061017805 823573250 /nfs/dbraw/zinc/57/32/50/823573250.db2.gz USQWTHFTBFZMIR-UHFFFAOYSA-N 1 0 387.568 4.067 20 0 GIADRO CCOc1ccc([C@@H]([NH2+]C[C@@]2(OC)CCOC2)c2ccccc2Cl)cc1 ZINC000461084842 823573254 /nfs/dbraw/zinc/57/32/54/823573254.db2.gz JIJPUEAUCPAFNM-RTWAWAEBSA-N 1 0 375.896 4.223 20 0 GIADRO C[C@H](c1ccncc1)[N@H+](C)CCc1nc2sc3c(c2c(N)n1)CC[C@H](C)C3 ZINC000411430955 823573345 /nfs/dbraw/zinc/57/33/45/823573345.db2.gz YYLRCAYVASYJOR-UONOGXRCSA-N 1 0 381.549 4.029 20 0 GIADRO Cn1cc(C[NH2+]CCc2nc(C3CCCCC3)cs2)c(-c2ccncc2)n1 ZINC000124166349 823573877 /nfs/dbraw/zinc/57/38/77/823573877.db2.gz FYFRBRXFEBGEFG-UHFFFAOYSA-N 1 0 381.549 4.319 20 0 GIADRO c1ccc(-c2cccc(C[N@@H+]3CCC[C@@H](c4nnc5n4CCCCC5)C3)c2)nc1 ZINC000124170432 823574305 /nfs/dbraw/zinc/57/43/05/823574305.db2.gz JAYLZCKMMMIVOF-OAQYLSRUSA-N 1 0 387.531 4.446 20 0 GIADRO COc1cc(Br)ccc1[C@H](C)[NH2+]Cc1cccc(NC(C)=O)c1 ZINC000190440274 823574322 /nfs/dbraw/zinc/57/43/22/823574322.db2.gz NUDOJPNOYSLYCS-LBPRGKRZSA-N 1 0 377.282 4.267 20 0 GIADRO Cc1ncsc1CCC(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000411444431 823574760 /nfs/dbraw/zinc/57/47/60/823574760.db2.gz ZZVJQDIDMRGVLS-IRXDYDNUSA-N 1 0 385.577 4.178 20 0 GIADRO COc1ccc(F)cc1[C@H](C)[NH2+]CCC(=O)Nc1ccccc1Br ZINC000411445122 823574776 /nfs/dbraw/zinc/57/47/76/823574776.db2.gz GGIHYLKZIVMKNN-LBPRGKRZSA-N 1 0 395.272 4.276 20 0 GIADRO COc1ccc(C[NH2+][C@@H](C)c2ccc(Br)cc2OC)cc1C#N ZINC000190443286 823574911 /nfs/dbraw/zinc/57/49/11/823574911.db2.gz IVIMMPNUIWFSTB-LBPRGKRZSA-N 1 0 375.266 4.189 20 0 GIADRO COc1ccc(NC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c(OCc2ccccc2)c1 ZINC000190444584 823575115 /nfs/dbraw/zinc/57/51/15/823575115.db2.gz WXMWZGLKBSNXME-IBGZPJMESA-N 1 0 397.519 4.080 20 0 GIADRO CSc1ccc(OC[C@H](O)C[NH2+][C@H](C)c2ccc(OC(F)F)cc2)cc1 ZINC000411446516 823575164 /nfs/dbraw/zinc/57/51/64/823575164.db2.gz OUBAAAFJIRKXLT-UKRRQHHQSA-N 1 0 383.460 4.100 20 0 GIADRO O=C(COc1ccccc1C[NH2+]Cc1csc2ccccc12)N1CCCC1 ZINC000061048512 823575290 /nfs/dbraw/zinc/57/52/90/823575290.db2.gz FOZRQYQWIIJDGE-UHFFFAOYSA-N 1 0 380.513 4.192 20 0 GIADRO CC[C@@H]([NH2+]CCC(=O)Nc1cc(OC)c(Cl)cc1OC)c1ccccc1 ZINC000411447139 823575392 /nfs/dbraw/zinc/57/53/92/823575392.db2.gz BACAZFROKKUHIH-MRXNPFEDSA-N 1 0 376.884 4.427 20 0 GIADRO CCOc1ccc([C@@H](C)NC(=O)NCC(C)(C)[NH+]2CCCCC2)cc1OCC ZINC000061049391 823575400 /nfs/dbraw/zinc/57/54/00/823575400.db2.gz WSNZUMWRAWLDQI-QGZVFWFLSA-N 1 0 391.556 4.109 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)c1ccccc1)c1cccc(OCc2ccccn2)c1 ZINC000411450091 823575722 /nfs/dbraw/zinc/57/57/22/823575722.db2.gz SZWXBPIAKNTZHR-MOPGFXCFSA-N 1 0 389.499 4.363 20 0 GIADRO O=c1[nH]c(CC[NH2+][C@@H](CC(F)(F)F)c2ccc(F)cc2)nc2ccccc12 ZINC000411451067 823575939 /nfs/dbraw/zinc/57/59/39/823575939.db2.gz HTOVLLWCQCBWCU-INIZCTEOSA-N 1 0 379.357 4.300 20 0 GIADRO O=C(CC[NH2+][C@H](CC(F)(F)F)c1ccccc1)N1CCc2sccc2C1 ZINC000411453191 823576189 /nfs/dbraw/zinc/57/61/89/823576189.db2.gz JJDLXSOVEMSWPC-MRXNPFEDSA-N 1 0 382.451 4.306 20 0 GIADRO COc1ccc(C)cc1[C@@H](C)[NH2+]CCC(=O)Nc1ccccc1Br ZINC000411452511 823576217 /nfs/dbraw/zinc/57/62/17/823576217.db2.gz GTXOOHXEZCYHBW-CQSZACIVSA-N 1 0 391.309 4.446 20 0 GIADRO CC[NH+](CC)CCN(C(=O)[C@@H]1CCC(=O)[C@@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000461096879 823576299 /nfs/dbraw/zinc/57/62/99/823576299.db2.gz WCPGJGCLPRFZEJ-JKSUJKDBSA-N 1 0 398.469 4.386 20 0 GIADRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2ccc(OC3CCOCC3)cc2)c1 ZINC000461097220 823576457 /nfs/dbraw/zinc/57/64/57/823576457.db2.gz DRLPXCPCSVVPHQ-UHFFFAOYSA-N 1 0 396.531 4.015 20 0 GIADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)Nc1ccnn1C(C)(C)C ZINC000190452779 823576504 /nfs/dbraw/zinc/57/65/04/823576504.db2.gz DHNWILMWAIYSGQ-UHFFFAOYSA-N 1 0 377.558 4.076 20 0 GIADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)[C@@H]1CCSc2ccccc21 ZINC000461100865 823577269 /nfs/dbraw/zinc/57/72/69/823577269.db2.gz BOWWFAKEPMKCIK-PZJWPPBQSA-N 1 0 395.572 4.174 20 0 GIADRO COc1cc2c(cc1C[NH2+]Cc1ccc(N3CCCCCC3)nc1)O[C@H](C)C2 ZINC000061077092 823577275 /nfs/dbraw/zinc/57/72/75/823577275.db2.gz FCPPQYNMBLMXII-QGZVFWFLSA-N 1 0 381.520 4.084 20 0 GIADRO COC(=O)c1cc(C[NH2+][C@H](C)c2ccc(OC)c(Br)c2)cs1 ZINC000411460885 823577427 /nfs/dbraw/zinc/57/74/27/823577427.db2.gz PDMIEAYDQMXVJG-SNVBAGLBSA-N 1 0 384.295 4.157 20 0 GIADRO CO[C@]1(C[NH2+][C@@H]2CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]23C)CCOC1 ZINC000461101236 823577464 /nfs/dbraw/zinc/57/74/64/823577464.db2.gz SEIHBTHALYEADM-GSZVYYIFSA-N 1 0 385.548 4.012 20 0 GIADRO COc1ccc([C@H](CCO)[NH2+]Cc2cccc(Br)c2Cl)cc1 ZINC000411463878 823577760 /nfs/dbraw/zinc/57/77/60/823577760.db2.gz SWCSSNRWFARRRH-INIZCTEOSA-N 1 0 384.701 4.324 20 0 GIADRO CC[C@@H]([NH2+]C1CCN(C(=O)CC(F)(F)F)CC1)c1cccc(Cl)c1F ZINC000461103964 823578073 /nfs/dbraw/zinc/57/80/73/823578073.db2.gz URCIBLDGPXWNQC-CQSZACIVSA-N 1 0 380.813 4.463 20 0 GIADRO COCCSc1ccc([C@H](C)[NH2+]CCc2nc(-c3ccccc3)no2)cc1 ZINC000411467227 823578266 /nfs/dbraw/zinc/57/82/66/823578266.db2.gz WKXXUCRKZUHTGN-INIZCTEOSA-N 1 0 383.517 4.368 20 0 GIADRO O=C(CC[NH2+][C@@H](CCCO)c1ccccc1)Nc1cc(Cl)ccc1Cl ZINC000411468423 823578339 /nfs/dbraw/zinc/57/83/39/823578339.db2.gz BHIBFPSHMZAGMT-KRWDZBQOSA-N 1 0 381.303 4.425 20 0 GIADRO Cc1nn(C)c(C)c1CC[NH2+][C@@H]1CCSc2ccc(Br)cc21 ZINC000124221796 823578638 /nfs/dbraw/zinc/57/86/38/823578638.db2.gz YKYJILRXUDPRFE-MRXNPFEDSA-N 1 0 380.355 4.169 20 0 GIADRO CC(C)[NH+]1CCN(c2ccc(C(=O)Nc3ccccc3C(F)(F)F)cc2)CC1 ZINC000061108854 823578498 /nfs/dbraw/zinc/57/84/98/823578498.db2.gz SJHZFPYTJNGBJO-UHFFFAOYSA-N 1 0 391.437 4.488 20 0 GIADRO CC(C)(C)c1ccc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000061108596 823578575 /nfs/dbraw/zinc/57/85/75/823578575.db2.gz QNCAQOGMZQYDHW-UHFFFAOYSA-N 1 0 386.561 4.058 20 0 GIADRO C[C@@H]([NH2+]CCc1nc2ccccc2c(=O)[nH]1)c1cccc(OC(F)(F)F)c1 ZINC000411474143 823579076 /nfs/dbraw/zinc/57/90/76/823579076.db2.gz LCMGEUIFUBTUJX-GFCCVEGCSA-N 1 0 377.366 4.127 20 0 GIADRO CC[C@H]([NH2+]Cc1c(F)c(F)c(Br)c(F)c1F)C1CCOCC1 ZINC000411478155 823579441 /nfs/dbraw/zinc/57/94/41/823579441.db2.gz KAGFKLDIUCNJBR-JTQLQIEISA-N 1 0 384.211 4.300 20 0 GIADRO Cc1csc([C@H]([NH2+]CCC(=O)Nc2cccc(Br)c2)C2CC2)n1 ZINC000411478001 823579506 /nfs/dbraw/zinc/57/95/06/823579506.db2.gz JOVFKRLETGJFQT-MRXNPFEDSA-N 1 0 394.338 4.284 20 0 GIADRO CC(C)([NH2+]CCc1nc2ccccc2c(=O)[nH]1)c1ccccc1Br ZINC000411478136 823579510 /nfs/dbraw/zinc/57/95/10/823579510.db2.gz TYTRSSBUUUVZGF-UHFFFAOYSA-N 1 0 386.293 4.165 20 0 GIADRO CC[C@@H]([NH2+][C@@H]1CCCN(Cc2ccccn2)C1=O)c1cccc(Cl)c1F ZINC000461111924 823579738 /nfs/dbraw/zinc/57/97/38/823579738.db2.gz UVUXBDDZRQAPMQ-QZTJIDSGSA-N 1 0 375.875 4.106 20 0 GIADRO OCC[C@@H]([NH2+][C@@H]1CCCc2nc(-c3ccccc3F)sc21)C1CCOCC1 ZINC000461112778 823579891 /nfs/dbraw/zinc/57/98/91/823579891.db2.gz UWGMEGNBKKJORL-QZTJIDSGSA-N 1 0 390.524 4.094 20 0 GIADRO CS(=O)(=O)c1ccc(C[NH2+]C2(c3ccc(C(F)(F)F)cc3)CCCC2)o1 ZINC000411493394 823581040 /nfs/dbraw/zinc/58/10/40/823581040.db2.gz FHUQYDQGDFZFNM-UHFFFAOYSA-N 1 0 387.423 4.261 20 0 GIADRO CC(C)(C)[C@H](COc1ccccc1F)[NH2+]Cc1nc2ccsc2c(=O)[nH]1 ZINC000411493651 823581200 /nfs/dbraw/zinc/58/12/00/823581200.db2.gz SLYKVORKAGDICF-HNNXBMFYSA-N 1 0 375.469 4.119 20 0 GIADRO CCOc1cc(F)ccc1NC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000061163766 823581582 /nfs/dbraw/zinc/58/15/82/823581582.db2.gz XIDCOTRGEXPDAS-UHFFFAOYSA-N 1 0 385.483 4.007 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccc(Cl)cc1Br ZINC000124266446 823582328 /nfs/dbraw/zinc/58/23/28/823582328.db2.gz WYJGRXLTRPCIGL-CYBMUJFWSA-N 1 0 387.749 4.487 20 0 GIADRO Cc1nc(-c2cccc(NC(=O)[C@@H]3CCC[N@H+](Cc4cccc(F)c4)C3)c2)no1 ZINC000124269107 823582582 /nfs/dbraw/zinc/58/25/82/823582582.db2.gz MLMIGNWFUOVJQR-GOSISDBHSA-N 1 0 394.450 4.035 20 0 GIADRO CC[C@@H]([NH2+]CCC(=O)Nc1ccc(Br)cc1F)c1nccs1 ZINC000411512735 823582754 /nfs/dbraw/zinc/58/27/54/823582754.db2.gz BQOYEBWSIADIOV-GFCCVEGCSA-N 1 0 386.290 4.114 20 0 GIADRO CCOc1ccc(NC(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)c(C)c1 ZINC000061186910 823582802 /nfs/dbraw/zinc/58/28/02/823582802.db2.gz AVSPHHOVUQDFQR-UHFFFAOYSA-N 1 0 381.520 4.176 20 0 GIADRO CCc1ccc([C@H](CO)[NH2+]CCC(=O)Nc2c(Cl)cccc2Cl)cc1 ZINC000411512572 823582858 /nfs/dbraw/zinc/58/28/58/823582858.db2.gz RXBILGCJDKTTNV-KRWDZBQOSA-N 1 0 381.303 4.208 20 0 GIADRO CCc1ccc([C@H](COC)[NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)o1 ZINC000411513953 823582966 /nfs/dbraw/zinc/58/29/66/823582966.db2.gz QHSYCMLNVULKSB-INIZCTEOSA-N 1 0 375.856 4.065 20 0 GIADRO CC[C@@H]([NH2+]CCc1nc2sc3c(c2c(N)n1)CC[C@H](C)C3)c1nccs1 ZINC000411517791 823583621 /nfs/dbraw/zinc/58/36/21/823583621.db2.gz NNXMIWVXDPIBAX-WCQYABFASA-N 1 0 387.578 4.138 20 0 GIADRO CC[C@H]([NH2+]CCC(=O)Nc1c(C)nn(-c2ccccc2)c1C)c1c(C)noc1C ZINC000411521479 823584329 /nfs/dbraw/zinc/58/43/29/823584329.db2.gz YRXLCJYZMDGPMW-IBGZPJMESA-N 1 0 395.507 4.163 20 0 GIADRO Cc1cc(/C=C/C(=O)N2CCN(c3cc[nH+]cc3)CC2)c(C)n1C1CCCCC1 ZINC000061210528 823584814 /nfs/dbraw/zinc/58/48/14/823584814.db2.gz ZNSKSEUYGVIWFS-CMDGGOBGSA-N 1 0 392.547 4.367 20 0 GIADRO Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000124297751 823585173 /nfs/dbraw/zinc/58/51/73/823585173.db2.gz ONLCNQHVCROETK-SJORKVTESA-N 1 0 380.602 4.398 20 0 GIADRO COc1cccc([C@@H](CNC(=O)NC2CCC(c3ccccc3)CC2)[NH+](C)C)c1 ZINC000061221211 823585198 /nfs/dbraw/zinc/58/51/98/823585198.db2.gz QLFOSYMRUDHGAV-POOLCLQXSA-N 1 0 395.547 4.324 20 0 GIADRO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000411532693 823585387 /nfs/dbraw/zinc/58/53/87/823585387.db2.gz ZOCATLSMYQNBHO-KDOFPFPSSA-N 1 0 388.309 4.256 20 0 GIADRO CCOc1cccc([C@@H](C)NC(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)c1 ZINC000061227998 823585478 /nfs/dbraw/zinc/58/54/78/823585478.db2.gz ZLSBGYYTDXQZQS-LJQANCHMSA-N 1 0 395.547 4.107 20 0 GIADRO CCCNC(=O)CCC[NH2+][C@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000411533834 823585491 /nfs/dbraw/zinc/58/54/91/823585491.db2.gz ODVHFDASAPCTMZ-CQSZACIVSA-N 1 0 375.538 4.084 20 0 GIADRO CC(C)OCc1ccccc1CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000061230517 823585760 /nfs/dbraw/zinc/58/57/60/823585760.db2.gz ILDKEHQNQHTRDD-HSZRJFAPSA-N 1 0 395.547 4.248 20 0 GIADRO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C[NH2+][C@@H]1CCCC[C@@H]1C(N)=O ZINC000411539924 823586504 /nfs/dbraw/zinc/58/65/04/823586504.db2.gz MWKNUNJWLJYWQA-LSDHHAIUSA-N 1 0 397.466 4.271 20 0 GIADRO Cc1cnc([C@@H](C)[NH2+]CCc2nc3sc4c(c3c(N)n2)CC[C@H](C)C4)s1 ZINC000411539840 823586521 /nfs/dbraw/zinc/58/65/21/823586521.db2.gz MIYMPTJZEPEWHJ-CMPLNLGQSA-N 1 0 387.578 4.057 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)CCc2c(C)nc(SC)nc2C)cc1 ZINC000190562948 823586846 /nfs/dbraw/zinc/58/68/46/823586846.db2.gz RHSVEPHHZVXAAG-UHFFFAOYSA-N 1 0 386.565 4.228 20 0 GIADRO Cc1cnc([C@@H](C)[NH2+]CCC(=O)Nc2ccc(Br)cc2F)s1 ZINC000411544029 823586881 /nfs/dbraw/zinc/58/68/81/823586881.db2.gz SYINPTDZUSZNPJ-SNVBAGLBSA-N 1 0 386.290 4.033 20 0 GIADRO C[C@H](NCc1ccc(C[NH+]2CCCCC2)cc1)c1noc(Cc2ccccc2)n1 ZINC000411545307 823587045 /nfs/dbraw/zinc/58/70/45/823587045.db2.gz WMYICLIRERAASW-IBGZPJMESA-N 1 0 390.531 4.497 20 0 GIADRO COC(=O)c1ccc(C[NH2+][C@H](c2cc(F)cc(Br)c2)C2CC2)nc1 ZINC000411553598 823587723 /nfs/dbraw/zinc/58/77/23/823587723.db2.gz DFDHYZJPMHEOAA-KRWDZBQOSA-N 1 0 393.256 4.011 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)c2cccc(NC(=O)[C@@H]3C[C@H]3C)c2)cc1 ZINC000190578238 823587842 /nfs/dbraw/zinc/58/78/42/823587842.db2.gz RQXWTSVDTZBDJG-IIBYNOLFSA-N 1 0 379.504 4.375 20 0 GIADRO CCCN(CC[NH+](CC)CC)C(=O)c1csc(Cc2cccc(F)c2)n1 ZINC000461149933 823588101 /nfs/dbraw/zinc/58/81/01/823588101.db2.gz GRTJQWSWPLIMNY-UHFFFAOYSA-N 1 0 377.529 4.067 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)c2cc(C)nc3c2cnn3C(C)C)cc1 ZINC000190579100 823588078 /nfs/dbraw/zinc/58/80/78/823588078.db2.gz COJBRKRLGXJBBR-UHFFFAOYSA-N 1 0 379.508 4.415 20 0 GIADRO CC(C)C(=O)N1CCC([NH2+][C@@H](c2ccc(Br)s2)C2CC2)CC1 ZINC000190581242 823588292 /nfs/dbraw/zinc/58/82/92/823588292.db2.gz FGIVFNYNNHCYBY-MRXNPFEDSA-N 1 0 385.371 4.198 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@@H](C)[C@H](O)c2ccc(F)cc2)nnn1-c1cccc(Cl)c1 ZINC000124347153 823589091 /nfs/dbraw/zinc/58/90/91/823589091.db2.gz NVUIVYXNFLLWNV-QAJFTPDKSA-N 1 0 388.874 4.141 20 0 GIADRO COc1ccccc1[C@@H](O)C[NH2+][C@@H](c1ccc(Br)s1)C1CC1 ZINC000190591393 823589108 /nfs/dbraw/zinc/58/91/08/823589108.db2.gz NKGNPTUDVMCWAQ-SUMWQHHRSA-N 1 0 382.323 4.294 20 0 GIADRO COc1ccccc1C(C)(C)C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000061285614 823589522 /nfs/dbraw/zinc/58/95/22/823589522.db2.gz VBUPZLZMLGJUCN-UHFFFAOYSA-N 1 0 384.545 4.160 20 0 GIADRO O=C(Cc1cccc(C(F)(F)F)c1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000061286807 823589734 /nfs/dbraw/zinc/58/97/34/823589734.db2.gz WOYKRZNZKBRBBA-UHFFFAOYSA-N 1 0 394.462 4.435 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)C1(c2ccc(F)cc2)CCC1 ZINC000061288124 823589950 /nfs/dbraw/zinc/58/99/50/823589950.db2.gz IKUWRSSCCOEOMW-UHFFFAOYSA-N 1 0 398.547 4.477 20 0 GIADRO Cc1ccc(C)c(OCCC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)c1 ZINC000061289416 823590018 /nfs/dbraw/zinc/59/00/18/823590018.db2.gz OZLGDQZJOKGFMV-UHFFFAOYSA-N 1 0 398.572 4.302 20 0 GIADRO CC(C)[C@H](CC(F)(F)F)[NH2+]CC(=O)Nc1nc(-c2cccs2)cs1 ZINC000411623823 823591737 /nfs/dbraw/zinc/59/17/37/823591737.db2.gz ZXWQFBUAOCAPBP-JTQLQIEISA-N 1 0 377.457 4.377 20 0 GIADRO COCC[N@H+](Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1)[C@H]1CCC[C@H]1C ZINC000411625275 823592185 /nfs/dbraw/zinc/59/21/85/823592185.db2.gz LCXCYKMKSXXJOV-HIFRSBDPSA-N 1 0 387.505 4.294 20 0 GIADRO O=C(CC[N@@H+](Cc1ccc(F)cc1)C1CCOCC1)Nc1cc(F)cc(F)c1 ZINC000411630873 823592377 /nfs/dbraw/zinc/59/23/77/823592377.db2.gz KLPFETVDLOTJLD-UHFFFAOYSA-N 1 0 392.421 4.114 20 0 GIADRO C[C@H]([NH2+]C1CCN(Cc2ccccc2Cl)CC1)[C@H](O)c1ccc(F)cc1 ZINC000124394704 823593054 /nfs/dbraw/zinc/59/30/54/823593054.db2.gz KDVVKBUWECOIKP-BTYIYWSLSA-N 1 0 376.903 4.155 20 0 GIADRO C[C@H](CCc1ccco1)NC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000061352338 823593092 /nfs/dbraw/zinc/59/30/92/823593092.db2.gz NWSBRRLXWYJPCK-RTBURBONSA-N 1 0 383.536 4.332 20 0 GIADRO O=C(CC[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)Nc1cccc(F)c1 ZINC000411643391 823593190 /nfs/dbraw/zinc/59/31/90/823593190.db2.gz IWTMPOKDWZEKHC-IEBWSBKVSA-N 1 0 380.822 4.067 20 0 GIADRO O=C(CC[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)Nc1ccccc1F ZINC000411643476 823593213 /nfs/dbraw/zinc/59/32/13/823593213.db2.gz JEOWIDRDVNEWKP-PKOBYXMFSA-N 1 0 380.822 4.067 20 0 GIADRO CCOc1ccccc1NC(=O)CC[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000411648368 823593853 /nfs/dbraw/zinc/59/38/53/823593853.db2.gz OGWNTUFLVHZBAA-NQIIRXRSSA-N 1 0 388.895 4.187 20 0 GIADRO OCCC[C@@H]([NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccccc1 ZINC000124406526 823594023 /nfs/dbraw/zinc/59/40/23/823594023.db2.gz NVTVXENPSLPMPB-LJQANCHMSA-N 1 0 389.421 4.495 20 0 GIADRO O=C(CC[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1)Nc1cc(F)cc(F)c1 ZINC000411651000 823594162 /nfs/dbraw/zinc/59/41/62/823594162.db2.gz RSMBOVVBYFAFKT-PKOBYXMFSA-N 1 0 380.822 4.067 20 0 GIADRO C[C@H](NC(=O)NCC1([NH+](C)C)CCCCCC1)c1cccc(OC(F)F)c1 ZINC000061378473 823594155 /nfs/dbraw/zinc/59/41/55/823594155.db2.gz KXNKJEYMFWGKAO-HNNXBMFYSA-N 1 0 383.483 4.303 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCCOc1ccc(Cl)cc1 ZINC000061380625 823594172 /nfs/dbraw/zinc/59/41/72/823594172.db2.gz MIAJIYDATOGSMB-UHFFFAOYSA-N 1 0 389.927 4.058 20 0 GIADRO CCCCOc1ccc(CNC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cc1Cl ZINC000190644418 823594626 /nfs/dbraw/zinc/59/46/26/823594626.db2.gz ZZMNGHAMZQEJMV-QGZVFWFLSA-N 1 0 381.948 4.002 20 0 GIADRO Brc1ccc([C@H]([NH2+][C@H]2CCN(c3ccccn3)C2)C2CC2)s1 ZINC000190653496 823595438 /nfs/dbraw/zinc/59/54/38/823595438.db2.gz BGFBJOGISSCXGH-SUMWQHHRSA-N 1 0 378.339 4.225 20 0 GIADRO C[N@H+](CCC(=O)Nc1ccc(Cl)cc1F)C1CCN(c2ccccc2)CC1 ZINC000411661838 823595486 /nfs/dbraw/zinc/59/54/86/823595486.db2.gz DZWNCOIUBSAANG-UHFFFAOYSA-N 1 0 389.902 4.409 20 0 GIADRO COc1ccnc(C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2cccs2)c1OC ZINC000190656243 823595835 /nfs/dbraw/zinc/59/58/35/823595835.db2.gz SSAWGFLRRPSTMX-WBVHZDCISA-N 1 0 376.522 4.029 20 0 GIADRO CCN(Cc1c[nH]c2ccccc12)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000190661949 823596198 /nfs/dbraw/zinc/59/61/98/823596198.db2.gz VMJSCIALCXPFQZ-UHFFFAOYSA-N 1 0 382.552 4.497 20 0 GIADRO Cc1ccncc1C[N@H+](C)CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000411669931 823596200 /nfs/dbraw/zinc/59/62/00/823596200.db2.gz REHFDSPJZXRGKT-JOCHJYFZSA-N 1 0 379.529 4.179 20 0 GIADRO Cc1cc(C(=O)NC2CC[NH+](Cc3cc(C)nc4ccccc34)CC2)c(C)o1 ZINC000124441605 823597165 /nfs/dbraw/zinc/59/71/65/823597165.db2.gz ZBIAHIIURIKYDM-UHFFFAOYSA-N 1 0 377.488 4.147 20 0 GIADRO CC(=O)Oc1ccc(C[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccsc2)cc1 ZINC000124452744 823597963 /nfs/dbraw/zinc/59/79/63/823597963.db2.gz UXECCXGRFDVLSE-JOCHJYFZSA-N 1 0 381.497 4.409 20 0 GIADRO Cc1nc(CC(C)C)oc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000190684011 823598233 /nfs/dbraw/zinc/59/82/33/823598233.db2.gz ZGDBQIASRPZVNG-LEWJYISDSA-N 1 0 395.547 4.308 20 0 GIADRO COCc1ccc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)cc1 ZINC000124463654 823598750 /nfs/dbraw/zinc/59/87/50/823598750.db2.gz RNKVLDXSBRLNOH-QGZVFWFLSA-N 1 0 387.545 4.400 20 0 GIADRO CCO[C@H]1C[C@H]([NH2+]Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)C12CCCC2 ZINC000411718011 823599465 /nfs/dbraw/zinc/59/94/65/823599465.db2.gz ITTAGQKRMONIMP-HOTGVXAUSA-N 1 0 399.516 4.484 20 0 GIADRO CCOc1cccc2cc([C@@H](C)[NH2+]Cc3ccc(N(C)CCOC)nc3)oc21 ZINC000190700800 823599840 /nfs/dbraw/zinc/59/98/40/823599840.db2.gz UCUSWRHDCINGFO-MRXNPFEDSA-N 1 0 383.492 4.160 20 0 GIADRO Cc1ccc([C@H](CNC(=O)Cc2cccc(OC(C)C)c2)[NH+]2CCCC2)cc1 ZINC000061502371 823600057 /nfs/dbraw/zinc/60/00/57/823600057.db2.gz QELZZRUFXNZYHR-QHCPKHFHSA-N 1 0 380.532 4.278 20 0 GIADRO COc1ccc(Cl)cc1CC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000061503100 823600163 /nfs/dbraw/zinc/60/01/63/823600163.db2.gz FYYFIZAYLAXGGS-FQEVSTJZSA-N 1 0 386.923 4.153 20 0 GIADRO COc1ccccc1OCCC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000061503972 823600273 /nfs/dbraw/zinc/60/02/73/823600273.db2.gz FZRIEYSFIQEMEG-UHFFFAOYSA-N 1 0 396.531 4.157 20 0 GIADRO COc1ccc(NC(=O)CC[NH2+][C@H](c2cccs2)C(C)(C)CO)cc1Cl ZINC000411733096 823600809 /nfs/dbraw/zinc/60/08/09/823600809.db2.gz FGPHZAMZKKCQMH-GOSISDBHSA-N 1 0 396.940 4.088 20 0 GIADRO COCCN(C)c1ccc(C[NH2+][C@H]2CCSc3ccc(Cl)cc32)cn1 ZINC000190710859 823600889 /nfs/dbraw/zinc/60/08/89/823600889.db2.gz MHVUFTABYWMYIA-KRWDZBQOSA-N 1 0 377.941 4.144 20 0 GIADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000411741276 823601323 /nfs/dbraw/zinc/60/13/23/823601323.db2.gz ZKXYGTDTLAJGQM-RDJZCZTQSA-N 1 0 386.458 4.000 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)CC1 ZINC000461229347 823601582 /nfs/dbraw/zinc/60/15/82/823601582.db2.gz LSSRTGUBPNTTEJ-UHFFFAOYSA-N 1 0 395.334 4.031 20 0 GIADRO OCc1ccccc1CC1CC[NH+](Cc2ccc(-c3ncco3)cc2F)CC1 ZINC000411746128 823602129 /nfs/dbraw/zinc/60/21/29/823602129.db2.gz WJGUYYYAENGFHS-UHFFFAOYSA-N 1 0 380.463 4.428 20 0 GIADRO CSc1ccccc1NC(=O)CC[NH2+][C@@H](C)[C@H]1OCCc2sccc21 ZINC000411756141 823602832 /nfs/dbraw/zinc/60/28/32/823602832.db2.gz IEHRSPGMUZWKHO-ORAYPTAESA-N 1 0 376.547 4.091 20 0 GIADRO C[NH+](C)CCN(C(=O)Cc1ccccc1NC(=O)OC(C)(C)C)c1ccccc1 ZINC000124524363 823603393 /nfs/dbraw/zinc/60/33/93/823603393.db2.gz VAVWVYMYWATAMM-UHFFFAOYSA-N 1 0 397.519 4.171 20 0 GIADRO CCOc1cc(CNCCC[NH+]2CCC(C)CC2)cc(Br)c1OC ZINC000061558237 823603795 /nfs/dbraw/zinc/60/37/95/823603795.db2.gz HEKAGSZLNYIRIH-UHFFFAOYSA-N 1 0 399.373 4.068 20 0 GIADRO O=C(CC[NH2+]C1(c2ccc(OC(F)(F)F)cc2)CC1)Nc1ccccc1F ZINC000411771199 823603957 /nfs/dbraw/zinc/60/39/57/823603957.db2.gz NUIFMKQSUQHQGP-UHFFFAOYSA-N 1 0 382.357 4.332 20 0 GIADRO O=C(CCOc1cccc(Cl)c1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000061567866 823604325 /nfs/dbraw/zinc/60/43/25/823604325.db2.gz QUVLFRGTVACLDP-UHFFFAOYSA-N 1 0 392.952 4.199 20 0 GIADRO Cc1cc(Cl)ccc1OCC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000061569241 823604460 /nfs/dbraw/zinc/60/44/60/823604460.db2.gz HFMJEORYQMTTHE-UHFFFAOYSA-N 1 0 392.952 4.117 20 0 GIADRO COc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1ccc(C[NH+]2CCSCC2)cc1C ZINC000411786325 823604791 /nfs/dbraw/zinc/60/47/91/823604791.db2.gz COVXECODBGGOCC-VQTJNVASSA-N 1 0 396.556 4.295 20 0 GIADRO Cc1ccc(C)c(C(=O)c2ccccc2C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000461255892 823605966 /nfs/dbraw/zinc/60/59/66/823605966.db2.gz FIOFRWFTOLGSTR-HXUWFJFHSA-N 1 0 392.543 4.481 20 0 GIADRO O=C(c1ccccc1F)N1CCC([NH2+]Cc2ccc(OCC3CC3)cc2)CC1 ZINC000190762679 823605992 /nfs/dbraw/zinc/60/59/92/823605992.db2.gz RQYCOLHRSYJMNR-UHFFFAOYSA-N 1 0 382.479 4.009 20 0 GIADRO CC1CC[NH+](C[C@H]2CCCN(C(=O)C[C@@H](c3ccc(O)cc3)C3CC3)C2)CC1 ZINC000411801562 823606028 /nfs/dbraw/zinc/60/60/28/823606028.db2.gz WQCNNWOFXSCSCT-AUSIDOKSSA-N 1 0 384.564 4.246 20 0 GIADRO Clc1ccc(-c2noc(CC[NH2+]C3(Cc4ccccc4)CCOCC3)n2)cc1 ZINC000411805483 823606376 /nfs/dbraw/zinc/60/63/76/823606376.db2.gz TUKBYNAQEHUMNU-UHFFFAOYSA-N 1 0 397.906 4.314 20 0 GIADRO CCCOc1c(Cl)cc(C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cc1OC ZINC000461259686 823606949 /nfs/dbraw/zinc/60/69/49/823606949.db2.gz AZFBFEIEDFGICV-MRXNPFEDSA-N 1 0 382.932 4.084 20 0 GIADRO Cc1nn(-c2ccccc2)c2sc(C(=O)N(C)CC[C@H]3CCCC[N@@H+]3C)cc12 ZINC000461260428 823607124 /nfs/dbraw/zinc/60/71/24/823607124.db2.gz VJDMZHZYEYVEEJ-QGZVFWFLSA-N 1 0 396.560 4.342 20 0 GIADRO CCCOc1c(Cl)cc(C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cc1OCC ZINC000461263209 823607958 /nfs/dbraw/zinc/60/79/58/823607958.db2.gz LYMJWTLJIFHAOG-QGZVFWFLSA-N 1 0 396.959 4.474 20 0 GIADRO O=C(/C=C/c1ccc(Cl)nc1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000124578439 823607975 /nfs/dbraw/zinc/60/79/75/823607975.db2.gz GPLBVPFRDQRCCM-XBXARRHUSA-N 1 0 390.314 4.182 20 0 GIADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cccc(COc2cccc(F)c2)c1 ZINC000461263897 823608315 /nfs/dbraw/zinc/60/83/15/823608315.db2.gz KKASTRGBPYBFJT-OAQYLSRUSA-N 1 0 384.495 4.351 20 0 GIADRO C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000461264129 823608541 /nfs/dbraw/zinc/60/85/41/823608541.db2.gz NKWRNHVCBXIMCX-WIYYLYMNSA-N 1 0 395.547 4.177 20 0 GIADRO COc1cccc(Oc2ccc(C[NH2+]Cc3ccc(N(C)C(C)C)nc3)cn2)c1 ZINC000190786155 823608800 /nfs/dbraw/zinc/60/88/00/823608800.db2.gz HZNUZZVVNDQSPU-UHFFFAOYSA-N 1 0 392.503 4.412 20 0 GIADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 ZINC000461266808 823609035 /nfs/dbraw/zinc/60/90/35/823609035.db2.gz XGPPIVXVZRKGLB-CQSZACIVSA-N 1 0 395.334 4.126 20 0 GIADRO CCc1ccc(-c2nc(CC(=O)N(C)CC[C@@H]3CCCC[N@@H+]3C)cs2)cc1 ZINC000461269001 823609304 /nfs/dbraw/zinc/60/93/04/823609304.db2.gz YAOSNRXGSFATKG-FQEVSTJZSA-N 1 0 385.577 4.248 20 0 GIADRO O=C(NCc1cc(F)cc(F)c1)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000061735417 823610188 /nfs/dbraw/zinc/61/01/88/823610188.db2.gz DCAZAJRCXIMDDX-IBGZPJMESA-N 1 0 393.865 4.255 20 0 GIADRO CCc1c(C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cnn1-c1cccc(Cl)c1 ZINC000461273351 823610497 /nfs/dbraw/zinc/61/04/97/823610497.db2.gz SFEIAFYYJAWGSP-QGZVFWFLSA-N 1 0 388.943 4.035 20 0 GIADRO CCOC(=O)c1nc(-c2ccccc2)oc1C[N@@H+]1CCSC2(CCC2)CC1 ZINC000411862803 823611285 /nfs/dbraw/zinc/61/12/85/823611285.db2.gz BQWIZRVYVWVDPW-UHFFFAOYSA-N 1 0 386.517 4.380 20 0 GIADRO C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@@H+]1CCSC2(CCC2)CC1 ZINC000411865882 823611305 /nfs/dbraw/zinc/61/13/05/823611305.db2.gz GKMRARZLCHMUIS-OAHLLOKOSA-N 1 0 389.590 4.005 20 0 GIADRO CC[C@@H]([NH2+]CC(=O)N1CCC[C@H]1c1ccc(OC)cc1OC)c1ccccc1 ZINC000411878398 823612069 /nfs/dbraw/zinc/61/20/69/823612069.db2.gz FFVBJNXREWIVPK-RTWAWAEBSA-N 1 0 382.504 4.108 20 0 GIADRO CC[C@@H]([NH2+]CC(=O)N1CCC[C@@H]1c1ccc(OC)cc1OC)c1ccccc1 ZINC000411878397 823612167 /nfs/dbraw/zinc/61/21/67/823612167.db2.gz FFVBJNXREWIVPK-NHCUHLMSSA-N 1 0 382.504 4.108 20 0 GIADRO CC[C@H]([NH2+]CC(=O)N1CCC[C@@H]1c1ccc(OC)cc1OC)c1ccccc1 ZINC000411884336 823612682 /nfs/dbraw/zinc/61/26/82/823612682.db2.gz FFVBJNXREWIVPK-LEWJYISDSA-N 1 0 382.504 4.108 20 0 GIADRO CC[C@H]([NH2+]CC(=O)N1CCC[C@H]1c1cc(OC)ccc1OC)c1ccccc1 ZINC000411887266 823612944 /nfs/dbraw/zinc/61/29/44/823612944.db2.gz NUSOMUKRHAXVBE-SFTDATJTSA-N 1 0 382.504 4.108 20 0 GIADRO COCCN(C)c1ccc(CNc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cn1 ZINC000190820196 823613022 /nfs/dbraw/zinc/61/30/22/823613022.db2.gz AMDPNDBEKNUQSR-LJQANCHMSA-N 1 0 382.552 4.008 20 0 GIADRO Cc1cc(-n2cccn2)ccc1NC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000190824983 823613358 /nfs/dbraw/zinc/61/33/58/823613358.db2.gz WJZFFGWVURYUHY-HXUWFJFHSA-N 1 0 395.551 4.157 20 0 GIADRO Cc1ccc(C(=O)N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c2ccccc12 ZINC000411894184 823613669 /nfs/dbraw/zinc/61/36/69/823613669.db2.gz PSOQKFIRELLDSJ-KDURUIRLSA-N 1 0 380.532 4.110 20 0 GIADRO CCCOc1ccc(-c2nc(C(=O)N(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)cs2)cc1 ZINC000124645924 823613784 /nfs/dbraw/zinc/61/37/84/823613784.db2.gz SQRILJXJZNJMJK-NVXWUHKLSA-N 1 0 387.549 4.154 20 0 GIADRO CN(c1ccc(NCc2nccn2-c2ccccc2)cc1)C1CC[NH+](C)CC1 ZINC000190836333 823614616 /nfs/dbraw/zinc/61/46/16/823614616.db2.gz PLYLVJRWOSQORJ-UHFFFAOYSA-N 1 0 375.520 4.015 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)NC1(c2ccccc2)CCC1 ZINC000061791094 823614701 /nfs/dbraw/zinc/61/47/01/823614701.db2.gz LHGBRJVATAVLQK-UHFFFAOYSA-N 1 0 395.572 4.479 20 0 GIADRO CC(C)(NC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)c1ccccc1 ZINC000061791610 823614733 /nfs/dbraw/zinc/61/47/33/823614733.db2.gz NMOVWMPDGVBHSZ-UHFFFAOYSA-N 1 0 383.561 4.335 20 0 GIADRO CN(Cc1cccs1)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000061792378 823614861 /nfs/dbraw/zinc/61/48/61/823614861.db2.gz FKJLPQSDUVWXDD-UHFFFAOYSA-N 1 0 375.563 4.003 20 0 GIADRO Cc1ccc2[nH]c([C@H]3CCCN3C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)nc2c1 ZINC000061794163 823615102 /nfs/dbraw/zinc/61/51/02/823615102.db2.gz ZGAPVDDCINFWPR-GOSISDBHSA-N 1 0 383.540 4.027 20 0 GIADRO Cc1cc(C(F)(F)F)ccc1C[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000190839886 823615119 /nfs/dbraw/zinc/61/51/19/823615119.db2.gz DMYWSHTYFUZMIJ-IYBDPMFKSA-N 1 0 393.453 4.312 20 0 GIADRO CCc1cccc(CC)c1NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000190844243 823615543 /nfs/dbraw/zinc/61/55/43/823615543.db2.gz YMEOBBMGDLMHRJ-QFIPXVFZSA-N 1 0 395.547 4.224 20 0 GIADRO Cc1cc(C[N@@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)nc(-c2ccc(Cl)cc2)n1 ZINC000411946641 823615939 /nfs/dbraw/zinc/61/59/39/823615939.db2.gz OMXJELWZVGJWMB-LEWJYISDSA-N 1 0 379.891 4.413 20 0 GIADRO O=C(c1cccc(C[NH+]2CCCCC2)c1)N1CCO[C@@H](c2cccc(F)c2)C1 ZINC000411960816 823616760 /nfs/dbraw/zinc/61/67/60/823616760.db2.gz SWGCVEQSUPSISA-JOCHJYFZSA-N 1 0 382.479 4.025 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)c2cc3ccccc3n2Cc2ccccc2F)CC[N@@H+]1C ZINC000124681299 823616803 /nfs/dbraw/zinc/61/68/03/823616803.db2.gz JWSXECJOKHABIV-YLJYHZDGSA-N 1 0 393.506 4.383 20 0 GIADRO COc1ccc(-c2nc(C[NH2+][C@@H](C)[C@](C)(OC)C3CC3)cs2)c(OC)c1 ZINC000411958214 823616882 /nfs/dbraw/zinc/61/68/82/823616882.db2.gz XBWLDWQDUMDROC-RBZFPXEDSA-N 1 0 376.522 4.121 20 0 GIADRO Cc1csc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c1Br ZINC000190858623 823617170 /nfs/dbraw/zinc/61/71/70/823617170.db2.gz LQISTRURVLYUEZ-LBPRGKRZSA-N 1 0 399.379 4.447 20 0 GIADRO COc1ccc(CC(=O)NCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1F ZINC000061885618 823617535 /nfs/dbraw/zinc/61/75/35/823617535.db2.gz YWCMDZJUZGRNDC-ROUUACIJSA-N 1 0 398.522 4.171 20 0 GIADRO CC(C)OC(=O)Cc1nc(C[N@@H+]2C[C@H](c3ccccc3)C3(CCC3)C2)cs1 ZINC000411984921 823618171 /nfs/dbraw/zinc/61/81/71/823618171.db2.gz NLLWGABGDHDEDI-LJQANCHMSA-N 1 0 384.545 4.407 20 0 GIADRO O=C1[C@@H]([N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)CCCN1c1ccccc1 ZINC000411994857 823619095 /nfs/dbraw/zinc/61/90/95/823619095.db2.gz BHNCTBUPSLJBPG-VXKWHMMOSA-N 1 0 376.500 4.036 20 0 GIADRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)NCc1csc2ccccc12 ZINC000061960256 823620029 /nfs/dbraw/zinc/62/00/29/823620029.db2.gz LUOZGXFUNCVLOT-UHFFFAOYSA-N 1 0 379.529 4.149 20 0 GIADRO Cc1c(-c2cc(C[NH2+][C@H](c3ccccc3)C3(CO)CCCCC3)on2)cnn1C ZINC000412005572 823621331 /nfs/dbraw/zinc/62/13/31/823621331.db2.gz GEYMXEQQYCUWIB-JOCHJYFZSA-N 1 0 394.519 4.157 20 0 GIADRO COCCN(C)c1ccc(C[NH2+][C@H](C)c2sc(-c3ccccc3)nc2C)cn1 ZINC000190901356 823621944 /nfs/dbraw/zinc/62/19/44/823621944.db2.gz VNVBSGGTDMNJKQ-MRXNPFEDSA-N 1 0 396.560 4.447 20 0 GIADRO CC(C)(C)C(=O)N1CCC(C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)CC1 ZINC000412009065 823622053 /nfs/dbraw/zinc/62/20/53/823622053.db2.gz GCNAHXREOVNSAZ-OAQYLSRUSA-N 1 0 384.564 4.125 20 0 GIADRO CC(C)(CNC(=O)NCc1ccc(Cl)s1)[N@@H+]1CCc2ccccc2C1 ZINC000062029573 823622240 /nfs/dbraw/zinc/62/22/40/823622240.db2.gz ZXNBPLKLFSPPLL-UHFFFAOYSA-N 1 0 377.941 4.038 20 0 GIADRO OCC1([C@H]([NH2+]Cc2cnc(-c3ccccc3)s2)c2ccccc2)CCOCC1 ZINC000412010457 823622259 /nfs/dbraw/zinc/62/22/59/823622259.db2.gz QNBSAXAJQHKGQD-OAQYLSRUSA-N 1 0 394.540 4.430 20 0 GIADRO CC(C)O[C@@H](C[NH2+][C@@H](c1ccccc1)C1(CO)CCOCC1)c1ccccc1 ZINC000412013870 823622703 /nfs/dbraw/zinc/62/27/03/823622703.db2.gz WBDNEQQTPPLVRI-GOTSBHOMSA-N 1 0 383.532 4.273 20 0 GIADRO CCS(=O)(=O)CCCCC[NH2+][C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000190907657 823622736 /nfs/dbraw/zinc/62/27/36/823622736.db2.gz NGKZVCJNXPLTSY-LJQANCHMSA-N 1 0 380.941 4.019 20 0 GIADRO Cc1ccc2ncc(C[NH2+][C@@H](c3ccccc3)C3(CO)CCOCC3)cc2c1 ZINC000412014729 823622964 /nfs/dbraw/zinc/62/29/64/823622964.db2.gz YFGOGMUDWUBOLI-QHCPKHFHSA-N 1 0 376.500 4.163 20 0 GIADRO COC1([C@H](C)[NH2+]CCCC(=O)Nc2c(C)cc(Br)cc2C)CCC1 ZINC000412027509 823623461 /nfs/dbraw/zinc/62/34/61/823623461.db2.gz VOJCVJZMAJHASA-HNNXBMFYSA-N 1 0 397.357 4.332 20 0 GIADRO O=C1CCCN1[C@@H]1CCC[N@H+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000412051997 823624257 /nfs/dbraw/zinc/62/42/57/823624257.db2.gz BLTZQTGBDUIVFU-HSZRJFAPSA-N 1 0 392.543 4.270 20 0 GIADRO O=C(NCc1ccc(N2CCCCC2)cc1)c1cccc(C[NH+]2CCCC2)c1 ZINC000062223314 823624674 /nfs/dbraw/zinc/62/46/74/823624674.db2.gz XPLAMKIFTBDUAO-UHFFFAOYSA-N 1 0 377.532 4.203 20 0 GIADRO O=C1CCCN1[C@H]1CCC[N@@H+](CC/C=C/c2ccc(Br)cc2)CC1 ZINC000412059576 823625067 /nfs/dbraw/zinc/62/50/67/823625067.db2.gz XQDBFDVGHYZIIU-DGHUFFFNSA-N 1 0 391.353 4.329 20 0 GIADRO CCn1cc(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000062230993 823625290 /nfs/dbraw/zinc/62/52/90/823625290.db2.gz JGXZEKIYQGMWOC-HXUWFJFHSA-N 1 0 375.516 4.303 20 0 GIADRO CCOc1ccc(SCC(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000062231233 823625303 /nfs/dbraw/zinc/62/53/03/823625303.db2.gz DWNWZKKKIGWCLQ-HXUWFJFHSA-N 1 0 398.572 4.206 20 0 GIADRO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1c2c(nc3ccccc31)CCC2 ZINC000062230727 823625334 /nfs/dbraw/zinc/62/53/34/823625334.db2.gz CAJLXVSGZIEXHQ-HXUWFJFHSA-N 1 0 399.538 4.366 20 0 GIADRO COCCn1cc(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)c2ccccc21 ZINC000062245209 823625872 /nfs/dbraw/zinc/62/58/72/823625872.db2.gz JGCNLTILMOYAKE-UHFFFAOYSA-N 1 0 397.563 4.016 20 0 GIADRO CC(C)(C)OC(=O)CC[C@@H]1CCC[N@H+](CCc2nc(-c3ccccc3)no2)C1 ZINC000412082837 823626184 /nfs/dbraw/zinc/62/61/84/823626184.db2.gz XXOMARQPCIRXSG-KRWDZBQOSA-N 1 0 385.508 4.113 20 0 GIADRO O=C(NCC1CCC(c2ccccc2)CC1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412088415 823626215 /nfs/dbraw/zinc/62/62/15/823626215.db2.gz PLBQKXUQSDSCAJ-ZOGYUUGASA-N 1 0 386.605 4.294 20 0 GIADRO Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000124789026 823626361 /nfs/dbraw/zinc/62/63/61/823626361.db2.gz WXNVTZQYLQNBSK-MRXNPFEDSA-N 1 0 389.528 4.474 20 0 GIADRO C[C@H]([NH2+]C[C@H](c1ccc(F)cc1)N(C)C)c1ccc(OCc2nccn2C)cc1 ZINC000124791754 823626470 /nfs/dbraw/zinc/62/64/70/823626470.db2.gz ATQVAKYYSXNNTQ-HTAPYJJXSA-N 1 0 396.510 4.092 20 0 GIADRO Fc1cc(C[NH2+]Cc2ccccc2OCc2ccccc2)ccc1-n1cncn1 ZINC000062254940 823626624 /nfs/dbraw/zinc/62/66/24/823626624.db2.gz CJYDYNWRLJLGDL-UHFFFAOYSA-N 1 0 388.446 4.275 20 0 GIADRO C[N@H+](CCOCCO)[C@@H](c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000461389930 823628148 /nfs/dbraw/zinc/62/81/48/823628148.db2.gz VGPSYROAUKGBFJ-GOSISDBHSA-N 1 0 398.728 4.133 20 0 GIADRO CCOc1cc(C[NH2+][C@H]2CC[C@@H](OC)C2)cc(Br)c1OC(F)F ZINC000190943815 823628151 /nfs/dbraw/zinc/62/81/51/823628151.db2.gz LFEMINPRFNNWPZ-NWDGAFQWSA-N 1 0 394.256 4.106 20 0 GIADRO COc1ccc(CNC(=O)C2CC[NH+](Cc3ccc(C(F)F)cc3)CC2)cc1 ZINC000461391733 823628332 /nfs/dbraw/zinc/62/83/32/823628332.db2.gz URTPZWVTWAMTQK-UHFFFAOYSA-N 1 0 388.458 4.161 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3c(C)cc(C)cc3C)C2=O)cc1OC ZINC000190947124 823628775 /nfs/dbraw/zinc/62/87/75/823628775.db2.gz NRTRVVZVNZPNSJ-IEBWSBKVSA-N 1 0 382.504 4.085 20 0 GIADRO O=C(NCC1(c2cccs2)CCCCC1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412132513 823628911 /nfs/dbraw/zinc/62/89/11/823628911.db2.gz WIYFTJTXMVSVIS-SFHVURJKSA-N 1 0 392.634 4.284 20 0 GIADRO O=C(N[C@@H](c1ccc(F)cc1)C1CCC1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412134561 823629084 /nfs/dbraw/zinc/62/90/84/823629084.db2.gz ZPZUBDNMNBDAMZ-VQTJNVASSA-N 1 0 376.541 4.001 20 0 GIADRO O=C(N[C@H](c1ccc(F)cc1)C1CCC1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412134553 823629099 /nfs/dbraw/zinc/62/90/99/823629099.db2.gz ZPZUBDNMNBDAMZ-PMACEKPBSA-N 1 0 376.541 4.001 20 0 GIADRO C[C@H]([NH2+]C[C@H](c1ccc(F)cc1)N(C)C)c1ccc(-n2cncn2)cc1Cl ZINC000124833704 823629535 /nfs/dbraw/zinc/62/95/35/823629535.db2.gz JGHCAXCLBNZCIT-VBKZILBWSA-N 1 0 387.890 4.013 20 0 GIADRO COc1cccc(CN(C)C(=O)C[NH+]2CCC(c3cc4ccccc4[nH]3)CC2)c1 ZINC000062367100 823629796 /nfs/dbraw/zinc/62/97/96/823629796.db2.gz NDHGZPRWUVNDTN-UHFFFAOYSA-N 1 0 391.515 4.015 20 0 GIADRO CCCCCc1nnc(NC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)s1 ZINC000062375796 823630831 /nfs/dbraw/zinc/63/08/31/823630831.db2.gz DFBHFFHPUSWLEA-UHFFFAOYSA-N 1 0 393.532 4.006 20 0 GIADRO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000412151064 823630899 /nfs/dbraw/zinc/63/08/99/823630899.db2.gz YIDSSPZUVVRWGQ-WMZOPIPTSA-N 1 0 398.469 4.098 20 0 GIADRO C[C@H]1CCN(C(=O)C[C@H](c2ccc(O)cc2)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000412155867 823631279 /nfs/dbraw/zinc/63/12/79/823631279.db2.gz KDPVMGMFVPRMKK-CYFREDJKSA-N 1 0 392.543 4.399 20 0 GIADRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)Nc1ccccc1OC(F)(F)F ZINC000062380153 823631332 /nfs/dbraw/zinc/63/13/32/823631332.db2.gz NSMWPYMOJUAVNK-UHFFFAOYSA-N 1 0 399.388 4.320 20 0 GIADRO CN(c1ccccc1CNCc1csc(-c2ccco2)n1)C1CC[NH+](C)CC1 ZINC000124854860 823631330 /nfs/dbraw/zinc/63/13/30/823631330.db2.gz MSYOESDJVVZRRG-UHFFFAOYSA-N 1 0 396.560 4.223 20 0 GIADRO COc1cc(Cl)c(F)c(C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000412157039 823631470 /nfs/dbraw/zinc/63/14/70/823631470.db2.gz PQSARKIEZCNQRY-INIZCTEOSA-N 1 0 390.886 4.082 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000412159466 823631617 /nfs/dbraw/zinc/63/16/17/823631617.db2.gz RNLZITQIEGGSAV-IFMALSPDSA-N 1 0 392.543 4.312 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1CC(C)(C)Oc2ccccc21 ZINC000412159476 823631622 /nfs/dbraw/zinc/63/16/22/823631622.db2.gz RNLZITQIEGGSAV-UNMCSNQZSA-N 1 0 392.543 4.312 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+]CC(=O)N(CC)c2nc3ccccc3s2)cc1 ZINC000124863047 823631980 /nfs/dbraw/zinc/63/19/80/823631980.db2.gz OBEQAEOGXCFAHU-HNNXBMFYSA-N 1 0 383.517 4.399 20 0 GIADRO CCOc1cc(F)ccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000062399800 823632643 /nfs/dbraw/zinc/63/26/43/823632643.db2.gz FXHGGWRUFUJAON-UHFFFAOYSA-N 1 0 395.425 4.098 20 0 GIADRO O=C(N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)C1(Cc2ccc(F)cc2)CC1 ZINC000461420586 823632784 /nfs/dbraw/zinc/63/27/84/823632784.db2.gz BHPYQXTYYGFNDK-FCHUYYIVSA-N 1 0 392.518 4.129 20 0 GIADRO COC(=O)C[C@](C)([NH2+]Cc1ccc(Oc2cccnc2)c(C)c1)c1ccncc1 ZINC000190973508 823632921 /nfs/dbraw/zinc/63/29/21/823632921.db2.gz MFZZNYKSDINPRA-QHCPKHFHSA-N 1 0 391.471 4.145 20 0 GIADRO O=C(c1cccc(C[NH+]2CCCCC2)c1)N1CCC(OCC2CCCC2)CC1 ZINC000412177049 823632926 /nfs/dbraw/zinc/63/29/26/823632926.db2.gz LDOGFROCOWDMLH-UHFFFAOYSA-N 1 0 384.564 4.484 20 0 GIADRO COC(=O)C[C@@](C)([NH2+]Cc1ccc(Oc2cccnc2)c(C)c1)c1ccncc1 ZINC000190973525 823632959 /nfs/dbraw/zinc/63/29/59/823632959.db2.gz MFZZNYKSDINPRA-HSZRJFAPSA-N 1 0 391.471 4.145 20 0 GIADRO Cc1cc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c(C(F)(F)F)o1 ZINC000461422572 823633263 /nfs/dbraw/zinc/63/32/63/823633263.db2.gz DDYCFXPCQOCXPT-SJORKVTESA-N 1 0 392.421 4.201 20 0 GIADRO O=C([C@@H]1SCCc2sccc21)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461422034 823633297 /nfs/dbraw/zinc/63/32/97/823633297.db2.gz IGHDVJQTKKKYRJ-LVCYWYKZSA-N 1 0 398.597 4.059 20 0 GIADRO Cc1ccc(CCC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c(C)c1 ZINC000461424318 823633665 /nfs/dbraw/zinc/63/36/65/823633665.db2.gz BMNHWTIWVQYJOY-BJKOFHAPSA-N 1 0 376.544 4.217 20 0 GIADRO COCCN(C)c1ccc(C[NH2+][C@H](C)c2oc3ccc(OC)cc3c2C)cn1 ZINC000190979996 823633872 /nfs/dbraw/zinc/63/38/72/823633872.db2.gz IPPDRDRQTRNUMK-MRXNPFEDSA-N 1 0 383.492 4.078 20 0 GIADRO COc1ccc(C2(C(=O)N3CC[C@@H](C[NH+]4CCCCC4)C3)CCCCC2)cc1 ZINC000461425497 823634039 /nfs/dbraw/zinc/63/40/39/823634039.db2.gz JCUILXAPAIXORF-FQEVSTJZSA-N 1 0 384.564 4.232 20 0 GIADRO O=C(CCOc1ccccc1-c1ccccc1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000461426657 823634310 /nfs/dbraw/zinc/63/43/10/823634310.db2.gz PBHQOCYPHNLKGQ-NRFANRHFSA-N 1 0 392.543 4.457 20 0 GIADRO O=C(CCc1cncc2ccccc21)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461427020 823634533 /nfs/dbraw/zinc/63/45/33/823634533.db2.gz KITXHHZSBHVAIG-BJKOFHAPSA-N 1 0 399.538 4.148 20 0 GIADRO NC(=O)COc1ccc(C[NH2+][C@@H](c2ccccc2)c2cccc(Cl)c2)cc1 ZINC000062422392 823634808 /nfs/dbraw/zinc/63/48/08/823634808.db2.gz VHZFANSQSJCQPM-QFIPXVFZSA-N 1 0 380.875 4.083 20 0 GIADRO Cc1nc2ccc(C(=O)N3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@H]4C3)cc2s1 ZINC000461428917 823634922 /nfs/dbraw/zinc/63/49/22/823634922.db2.gz UAOCQXYHXDTTMP-PMACEKPBSA-N 1 0 391.540 4.199 20 0 GIADRO CCOc1cc(C[NH2+]C[C@@H](c2ccc(C)cc2)N(C)C)cc(Cl)c1OC ZINC000062423373 823634935 /nfs/dbraw/zinc/63/49/35/823634935.db2.gz YKFYWCRGTXKYRE-IBGZPJMESA-N 1 0 376.928 4.448 20 0 GIADRO FC(F)(F)c1ccn(-c2ccc(C[NH2+]Cc3ccccc3-n3cccn3)cc2)n1 ZINC000062425874 823634955 /nfs/dbraw/zinc/63/49/55/823634955.db2.gz GHGXNBPOZITIMJ-UHFFFAOYSA-N 1 0 397.404 4.367 20 0 GIADRO O=C(NCc1ccc(F)cc1)C1CC[NH+](C[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000190986644 823634954 /nfs/dbraw/zinc/63/49/54/823634954.db2.gz NSFKXORSEMFTHQ-OAQYLSRUSA-N 1 0 388.527 4.036 20 0 GIADRO O=c1cc(C[NH2+]C2(Cc3ccc(Br)cc3)CCCCC2)occ1O ZINC000124903989 823635457 /nfs/dbraw/zinc/63/54/57/823635457.db2.gz CXDCHPGOAZFBRG-UHFFFAOYSA-N 1 0 392.293 4.143 20 0 GIADRO Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000190993223 823635955 /nfs/dbraw/zinc/63/59/55/823635955.db2.gz GYWAXTOVAPZHFJ-OXJNMPFZSA-N 1 0 377.454 4.409 20 0 GIADRO C[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000412209770 823636138 /nfs/dbraw/zinc/63/61/38/823636138.db2.gz YJPBSPGWMAHSCY-ODIFPOPNSA-N 1 0 386.458 4.000 20 0 GIADRO O=C(c1cccc2ccsc21)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461433233 823636274 /nfs/dbraw/zinc/63/62/74/823636274.db2.gz WHDAYLCBVIASKG-WOJBJXKFSA-N 1 0 376.525 4.495 20 0 GIADRO CCn1c(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc2ccccc21 ZINC000461434406 823636415 /nfs/dbraw/zinc/63/64/15/823636415.db2.gz YWAFPWJQOYVQFA-FCHUYYIVSA-N 1 0 387.527 4.255 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]1C[C@]1(F)c1ccccc1 ZINC000412225772 823637240 /nfs/dbraw/zinc/63/72/40/823637240.db2.gz HGACHWACXQXBEM-GMAHTHKFSA-N 1 0 381.495 4.031 20 0 GIADRO Cc1cccc2c1OCC[C@H]2NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000191006903 823637576 /nfs/dbraw/zinc/63/75/76/823637576.db2.gz ABLRGVWCWMQQBU-KAGYGMCKSA-N 1 0 393.531 4.171 20 0 GIADRO c1cc(C[NH2+]Cc2ccc(OCC3CC3)cc2)cc(COC2CCOCC2)c1 ZINC000191009973 823637922 /nfs/dbraw/zinc/63/79/22/823637922.db2.gz CGBZHWJYVPLDGP-UHFFFAOYSA-N 1 0 381.516 4.461 20 0 GIADRO Cc1cc([C@H]2CN(C(=O)c3cccc(C[NH+]4CCCCC4)c3)CCO2)ccc1F ZINC000412230575 823637866 /nfs/dbraw/zinc/63/78/66/823637866.db2.gz LGRNTUAPWXQEEP-HSZRJFAPSA-N 1 0 396.506 4.334 20 0 GIADRO C[C@H](C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)c1ccc(Cl)s1 ZINC000461440773 823637958 /nfs/dbraw/zinc/63/79/58/823637958.db2.gz ZJAXWXRITUMVPU-RYQLBKOJSA-N 1 0 388.964 4.486 20 0 GIADRO CCNC(=O)COc1cccc(C[NH2+][C@H](C)c2sc(C(C)(C)C)nc2C)c1 ZINC000124930940 823637966 /nfs/dbraw/zinc/63/79/66/823637966.db2.gz ZHXGYQZJBNNAMC-CQSZACIVSA-N 1 0 389.565 4.115 20 0 GIADRO O=C(Cc1csc2ccccc12)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461441764 823638308 /nfs/dbraw/zinc/63/83/08/823638308.db2.gz GHAQZTVDBQGPFT-CTNGQTDRSA-N 1 0 390.552 4.424 20 0 GIADRO O=C(N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)C1(c2ccc(Cl)cc2)CC1 ZINC000461441896 823638435 /nfs/dbraw/zinc/63/84/35/823638435.db2.gz DLFIYAPAZQRNLF-UXHICEINSA-N 1 0 394.946 4.352 20 0 GIADRO O=C([C@H]1C[C@]1(F)c1ccccc1)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000412236539 823638502 /nfs/dbraw/zinc/63/85/02/823638502.db2.gz SXGMKKQONDLZAT-RDGATRHJSA-N 1 0 392.518 4.386 20 0 GIADRO CCc1nc([C@@H](C)NC2CC[NH+](CCOC(C)C)CC2)oc1-c1ccccc1 ZINC000124946084 823639451 /nfs/dbraw/zinc/63/94/51/823639451.db2.gz RACDNWFDYHTFRE-GOSISDBHSA-N 1 0 385.552 4.444 20 0 GIADRO C[C@H](CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)c1cccc(F)c1 ZINC000461447976 823639599 /nfs/dbraw/zinc/63/95/99/823639599.db2.gz NFWACJXGYLLTGK-QIJUGHKUSA-N 1 0 380.507 4.300 20 0 GIADRO O=C(c1ccc(-n2cccc2)cc1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461448393 823639812 /nfs/dbraw/zinc/63/98/12/823639812.db2.gz UXFDPJVOFCOEDR-PKTZIBPZSA-N 1 0 385.511 4.071 20 0 GIADRO C[C@H](SCc1ccccc1)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461452569 823640521 /nfs/dbraw/zinc/64/05/21/823640521.db2.gz VOTSZHZXVYZRQG-VJBMBRPKSA-N 1 0 394.584 4.289 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N(Cc1c(F)cccc1F)C1CC1 ZINC000191034848 823640727 /nfs/dbraw/zinc/64/07/27/823640727.db2.gz VMZIILMTYWOKFH-INIZCTEOSA-N 1 0 379.495 4.293 20 0 GIADRO C[C@H](CCOc1ccccc1)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461455254 823641085 /nfs/dbraw/zinc/64/10/85/823641085.db2.gz LCXSKBCMAUAURE-MZYLBHOOSA-N 1 0 392.543 4.072 20 0 GIADRO O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412267307 823641574 /nfs/dbraw/zinc/64/15/74/823641574.db2.gz HIYHZFBZGROPQX-GOTSBHOMSA-N 1 0 378.516 4.323 20 0 GIADRO COc1cc([C@@H](C)[NH2+]C[C@H](O)C2CCCCC2)ccc1OCc1ccncc1 ZINC000191044134 823641594 /nfs/dbraw/zinc/64/15/94/823641594.db2.gz JNNHYTYOSAXPOF-UTKZUKDTSA-N 1 0 384.520 4.261 20 0 GIADRO Cc1ccsc1CCCC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461458804 823641901 /nfs/dbraw/zinc/64/19/01/823641901.db2.gz VJFXQMNAQYHIIG-LEWJYISDSA-N 1 0 382.573 4.360 20 0 GIADRO COCc1ccc([C@@H]2CCCN2C(=O)c2cccc(C[NH+]3CCCCC3)c2)o1 ZINC000412272932 823642184 /nfs/dbraw/zinc/64/21/84/823642184.db2.gz QOEWCANYTGEZHQ-NRFANRHFSA-N 1 0 382.504 4.389 20 0 GIADRO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CCc2c1cccc2-c1ccccc1 ZINC000412278575 823642460 /nfs/dbraw/zinc/64/24/60/823642460.db2.gz XFAVSNJBLORQRR-HXUWFJFHSA-N 1 0 392.568 4.460 20 0 GIADRO CCc1cc(O)ccc1NC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000191054929 823643055 /nfs/dbraw/zinc/64/30/55/823643055.db2.gz XCVSYFVSWTUWNW-HXUWFJFHSA-N 1 0 392.421 4.348 20 0 GIADRO Cc1csc2nc(C)nc(Sc3nnc(C4CC[NH2+]CC4)n3C(C)C)c12 ZINC000124990000 823643177 /nfs/dbraw/zinc/64/31/77/823643177.db2.gz RXJNPMAXIHUBDA-UHFFFAOYSA-N 1 0 388.566 4.099 20 0 GIADRO CC(=O)c1cc(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)ccc1C ZINC000461468690 823643232 /nfs/dbraw/zinc/64/32/32/823643232.db2.gz OEZOFCLMHIKTQX-NRFANRHFSA-N 1 0 378.516 4.230 20 0 GIADRO CC(C)[C@@H](C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000461469101 823643532 /nfs/dbraw/zinc/64/35/32/823643532.db2.gz UUIPBEPFQIZTBU-FYYLOGMGSA-N 1 0 379.548 4.240 20 0 GIADRO CCC[C@@H](C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000461470804 823643669 /nfs/dbraw/zinc/64/36/69/823643669.db2.gz ZIUOJGBDZZHWEO-FCHUYYIVSA-N 1 0 379.548 4.384 20 0 GIADRO Cc1ccc([C@H](C[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)N2CCCC2)cc1 ZINC000125006198 823644308 /nfs/dbraw/zinc/64/43/08/823644308.db2.gz CRLIIHXUSYJMTH-XXBNENTESA-N 1 0 393.531 4.439 20 0 GIADRO CCc1cccc2c(C3CC[NH+](Cc4cc(=O)n5ccccc5n4)CC3)c[nH]c21 ZINC000125006569 823644476 /nfs/dbraw/zinc/64/44/76/823644476.db2.gz LQUDHYFJQLZWPH-UHFFFAOYSA-N 1 0 386.499 4.118 20 0 GIADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1nnc(CC(C)(C)C)n1Cc1cccs1 ZINC000461479968 823645186 /nfs/dbraw/zinc/64/51/86/823645186.db2.gz CXWPVPZPRMNVHE-DLBZAZTESA-N 1 0 387.597 4.040 20 0 GIADRO COc1ccc(OC)c([C@@H](O)C[NH2+][C@@H](C)c2sc(C(C)(C)C)nc2C)c1 ZINC000125022650 823645828 /nfs/dbraw/zinc/64/58/28/823645828.db2.gz FMRBZYWLQFUVQW-LRDDRELGSA-N 1 0 378.538 4.150 20 0 GIADRO Cn1ccnc1[C@@H](O)C1CC[NH+](CCCCc2ccc(Cl)c(Cl)c2)CC1 ZINC000191079020 823645929 /nfs/dbraw/zinc/64/59/29/823645929.db2.gz WVPYVIFQPQOXJR-IBGZPJMESA-N 1 0 396.362 4.495 20 0 GIADRO O=C(NC1CC(c2ccc(F)c(Cl)c2)C1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412318049 823645990 /nfs/dbraw/zinc/64/59/90/823645990.db2.gz PQPURIZOFWGNCZ-JCYILVPMSA-N 1 0 396.959 4.059 20 0 GIADRO CC(C)(c1ccc(C(=O)N2CCC[N@H+](CC3CCC3)CC2)cc1)C(F)(F)F ZINC000412319236 823646009 /nfs/dbraw/zinc/64/60/09/823646009.db2.gz SGVMDYYBIXOQHL-UHFFFAOYSA-N 1 0 382.470 4.475 20 0 GIADRO COc1ccc(OC)c([C@H](O)C[NH2+][C@@H](C)c2nc(-c3ccccc3)cs2)c1 ZINC000125043468 823647546 /nfs/dbraw/zinc/64/75/46/823647546.db2.gz OKVFCUMXELSDNZ-IFXJQAMLSA-N 1 0 384.501 4.212 20 0 GIADRO Cn1ccnc1[C@H](O)[C@H]1CCC[N@H+](CCCCc2cccc(C(F)(F)F)c2)C1 ZINC000191092210 823647767 /nfs/dbraw/zinc/64/77/67/823647767.db2.gz APKQAFSJROQVIJ-PKOBYXMFSA-N 1 0 395.469 4.207 20 0 GIADRO CCc1cccc(CC)c1NC(=O)N(CC[NH+](C)C)Cc1cccc(OC)c1 ZINC000191093071 823647999 /nfs/dbraw/zinc/64/79/99/823647999.db2.gz RUNZIUQAKWEUCY-UHFFFAOYSA-N 1 0 383.536 4.416 20 0 GIADRO CC[C@H](C(=O)N[C@H](c1ccccc1OC(F)F)C(F)(F)F)[NH+](CC)CC ZINC000461496701 823648630 /nfs/dbraw/zinc/64/86/30/823648630.db2.gz IEQNADVLCHRBMW-TZMCWYRMSA-N 1 0 382.373 4.128 20 0 GIADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)c1 ZINC000412339620 823648294 /nfs/dbraw/zinc/64/82/94/823648294.db2.gz PPMMGNACFLQXPJ-OFNKIYASSA-N 1 0 379.504 4.099 20 0 GIADRO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(C)nc2ccccc12 ZINC000125058053 823648693 /nfs/dbraw/zinc/64/86/93/823648693.db2.gz BHEMPIHSGCITRQ-QFIPXVFZSA-N 1 0 389.499 4.463 20 0 GIADRO O=C(c1cccc(C[NH+]2CCCCC2)c1)N1CCCN(c2ccccc2F)CC1 ZINC000412346101 823648731 /nfs/dbraw/zinc/64/87/31/823648731.db2.gz ZWNQNCWZLLLBHW-UHFFFAOYSA-N 1 0 395.522 4.164 20 0 GIADRO Cc1ccc(Cl)c2sc(NC(=O)C3CC[NH+]([C@H]4CCSC4)CC3)nc21 ZINC000412349152 823648978 /nfs/dbraw/zinc/64/89/78/823648978.db2.gz SXLSPSQZMPVZOJ-ZDUSSCGKSA-N 1 0 395.981 4.414 20 0 GIADRO O=C(NCc1ccc(-c2ccccc2)cc1F)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412356845 823649352 /nfs/dbraw/zinc/64/93/52/823649352.db2.gz GZOAKWWIRFRILB-NRFANRHFSA-N 1 0 398.547 4.326 20 0 GIADRO O=C(N[C@H]1CCCc2sc(Cl)cc21)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412365833 823650225 /nfs/dbraw/zinc/65/02/25/823650225.db2.gz ROBWSODZYCRTEG-ZFWWWQNUSA-N 1 0 384.998 4.113 20 0 GIADRO Cc1[nH]c2ccc(C(=O)NCC3CC[NH+](Cc4ccccc4)CC3)cc2c1C ZINC000063081184 823650530 /nfs/dbraw/zinc/65/05/30/823650530.db2.gz ZLAWRVPKUAJPIB-UHFFFAOYSA-N 1 0 375.516 4.427 20 0 GIADRO COc1ccccc1[C@H](C[NH2+][C@@H](C)c1cnn(C(C)(C)C)c1C)N1CCCC1 ZINC000191113557 823650586 /nfs/dbraw/zinc/65/05/86/823650586.db2.gz FNELRZMBHWNMOR-UWJYYQICSA-N 1 0 384.568 4.443 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)c2nnc(-c3ccc(C)o3)n2Cc2cccs2)[C@@H](C)C1 ZINC000461509565 823651146 /nfs/dbraw/zinc/65/11/46/823651146.db2.gz RTEIIYFGFGGUMS-YJBOKZPZSA-N 1 0 399.564 4.123 20 0 GIADRO C[NH+](C)C1CCN(C(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)CC1 ZINC000063092851 823651357 /nfs/dbraw/zinc/65/13/57/823651357.db2.gz HCOOPGCKRQQLDB-UHFFFAOYSA-N 1 0 392.425 4.010 20 0 GIADRO CC(C)COC(=O)Nc1cccc(NC(=O)c2ccccc2OCC[NH+](C)C)c1 ZINC000063108333 823651675 /nfs/dbraw/zinc/65/16/75/823651675.db2.gz KETRUWKRWAFZBS-UHFFFAOYSA-N 1 0 399.491 4.084 20 0 GIADRO O=C(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000063116102 823651988 /nfs/dbraw/zinc/65/19/88/823651988.db2.gz VGWHXWVFQNVDDD-KHZFFFCDSA-N 1 0 392.343 4.090 20 0 GIADRO Cc1cc(C)c(NC(=O)[C@H](C)[N@H+](C)CCCNC(=O)OC(C)(C)C)c(Cl)c1 ZINC000125136179 823654153 /nfs/dbraw/zinc/65/41/53/823654153.db2.gz BWTAYKCGIGVVPA-HNNXBMFYSA-N 1 0 397.947 4.130 20 0 GIADRO C[C@H](C[NH2+]Cc1ccccc1OCC(=O)N(C)C)c1ccc(C(F)(F)F)cc1 ZINC000191155465 823654329 /nfs/dbraw/zinc/65/43/29/823654329.db2.gz SNBJVARJYCOJPA-OAHLLOKOSA-N 1 0 394.437 4.066 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)[C@H]2CC(C)(C)Oc3ccccc32)cc1F ZINC000412419005 823654418 /nfs/dbraw/zinc/65/44/18/823654418.db2.gz PQXNZRWEHDCYDE-KRWDZBQOSA-N 1 0 386.467 4.050 20 0 GIADRO Cc1c([C@@H](C)[NH2+]C[C@@H](O)c2ccco2)cnn1-c1ccc(Cl)cc1Cl ZINC000125145504 823654815 /nfs/dbraw/zinc/65/48/15/823654815.db2.gz ZQDPRATZUAMHNW-PIGZYNQJSA-N 1 0 380.275 4.465 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc(F)c(Br)c1)c1ccc(NC(N)=O)cc1 ZINC000125174157 823656710 /nfs/dbraw/zinc/65/67/10/823656710.db2.gz UDKYIGJFIVAWSZ-QWRGUYRKSA-N 1 0 380.261 4.491 20 0 GIADRO CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@@H](C)c2csc(Cl)c2)cc1 ZINC000191210560 823659436 /nfs/dbraw/zinc/65/94/36/823659436.db2.gz HSCHCQZGZKQPMF-ZDUSSCGKSA-N 1 0 386.970 4.080 20 0 GIADRO Cc1c([C@H](C)[NH2+]C[C@@H](O)COc2cccc(Cl)c2Cl)cnn1C(C)C ZINC000191211625 823659553 /nfs/dbraw/zinc/65/95/53/823659553.db2.gz QCNAYKYYDYQSKJ-GXTWGEPZSA-N 1 0 386.323 4.170 20 0 GIADRO Cc1c([C@@H](C)[NH2+]Cc2cc3c(c(Br)c2)OCO3)cnn1C(C)C ZINC000191212400 823659617 /nfs/dbraw/zinc/65/96/17/823659617.db2.gz AZLSULGWEBFHMY-LLVKDONJSA-N 1 0 380.286 4.114 20 0 GIADRO Cc1ccc([C@H]2CCC[N@@H+]2CCCOc2ccc(S(C)(=O)=O)cc2)cc1C ZINC000063287035 823660036 /nfs/dbraw/zinc/66/00/36/823660036.db2.gz MWZBZDYRLZLKQU-JOCHJYFZSA-N 1 0 387.545 4.313 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)C(C)(C)c3ccccc3F)CC2)cc1 ZINC000125236407 823661187 /nfs/dbraw/zinc/66/11/87/823661187.db2.gz JUHQXHAXEDDGFN-UHFFFAOYSA-N 1 0 398.522 4.140 20 0 GIADRO Cc1noc(C)c1COc1cccc(C(=O)Nc2ccc(C[NH+](C)C)cc2F)c1 ZINC000412553531 823661564 /nfs/dbraw/zinc/66/15/64/823661564.db2.gz WIFQPGBITZWNNC-UHFFFAOYSA-N 1 0 397.450 4.323 20 0 GIADRO COC(=O)[C@@H](C)c1cccc(NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000412554211 823661713 /nfs/dbraw/zinc/66/17/13/823661713.db2.gz YJSDUEODYAIGFX-SFHVURJKSA-N 1 0 394.515 4.204 20 0 GIADRO C[C@@H](C(=O)Nc1ccc(C[NH+](C)C)cc1F)c1ccc(Br)cc1 ZINC000412558147 823662162 /nfs/dbraw/zinc/66/21/62/823662162.db2.gz KOXOCLKMQJFILR-GFCCVEGCSA-N 1 0 379.273 4.392 20 0 GIADRO CCCc1noc2nc(CC)cc(C(=O)Nc3ccc(C[NH+](C)C)cc3F)c12 ZINC000412559577 823662223 /nfs/dbraw/zinc/66/22/23/823662223.db2.gz NYOIAKBAJODMGA-UHFFFAOYSA-N 1 0 384.455 4.191 20 0 GIADRO C[C@@H](C(=O)Nc1ccc(C[NH+](C)C)cc1F)c1ccc(Br)s1 ZINC000412562316 823662571 /nfs/dbraw/zinc/66/25/71/823662571.db2.gz WJASVPYQVGPVPD-SNVBAGLBSA-N 1 0 385.302 4.454 20 0 GIADRO CCSCc1ccc(C(=O)Nc2ccc(OCC[NH+](C)C)cc2OC)cc1 ZINC000412564781 823663038 /nfs/dbraw/zinc/66/30/38/823663038.db2.gz POULAMUBQKDKRY-UHFFFAOYSA-N 1 0 388.533 4.141 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)NC3CCCCCCC3)CC2)cc1 ZINC000063331074 823663315 /nfs/dbraw/zinc/66/33/15/823663315.db2.gz CMUYQZUAYKOFSM-UHFFFAOYSA-N 1 0 387.568 4.319 20 0 GIADRO O=C(NCCSCc1ccccc1F)NC1CC[NH+](CC2CCCC2)CC1 ZINC000063332080 823663476 /nfs/dbraw/zinc/66/34/76/823663476.db2.gz YWVQKJZPQMTYKC-UHFFFAOYSA-N 1 0 393.572 4.013 20 0 GIADRO CN(Cc1ccc(OC(F)F)cc1)C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000063333674 823663604 /nfs/dbraw/zinc/66/36/04/823663604.db2.gz QGDQTBDYPVUJHY-UHFFFAOYSA-N 1 0 395.494 4.084 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)c1ccc(C)c(C)c1Cl ZINC000412576091 823663769 /nfs/dbraw/zinc/66/37/69/823663769.db2.gz PCPKIWUWZNUDGV-UHFFFAOYSA-N 1 0 376.884 4.158 20 0 GIADRO C[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2cc(-c3ccc(Cl)s3)on2)CC1 ZINC000125294417 823665513 /nfs/dbraw/zinc/66/55/13/823665513.db2.gz DWSOBWKCIWXLIE-LBPRGKRZSA-N 1 0 379.913 4.145 20 0 GIADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc(C)cc1Cl ZINC000191270906 823665967 /nfs/dbraw/zinc/66/59/67/823665967.db2.gz RRBWKTMRAVCQHY-UHFFFAOYSA-N 1 0 387.911 4.051 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)Nc3c(F)cccc3F)CC2)cc1 ZINC000063388815 823666326 /nfs/dbraw/zinc/66/63/26/823666326.db2.gz VPWUZTIBIZNSTA-UHFFFAOYSA-N 1 0 389.446 4.007 20 0 GIADRO Cc1ccc(-n2cccn2)cc1NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000191276666 823666421 /nfs/dbraw/zinc/66/64/21/823666421.db2.gz OKJMEVZOPPLXKK-UHFFFAOYSA-N 1 0 389.503 4.098 20 0 GIADRO CCc1ccccc1NC(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000063389243 823666534 /nfs/dbraw/zinc/66/65/34/823666534.db2.gz YEWLQXHIWOLKLB-UHFFFAOYSA-N 1 0 381.520 4.291 20 0 GIADRO Cc1c([C@@H](C)[NH2+][C@@H]2CCN(c3ccccc3Br)C2)cnn1C(C)C ZINC000191281064 823666932 /nfs/dbraw/zinc/66/69/32/823666932.db2.gz SNWVTQQNORPDSE-GDBMZVCRSA-N 1 0 391.357 4.464 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)ccc1OC(C)C ZINC000125315313 823667224 /nfs/dbraw/zinc/66/72/24/823667224.db2.gz GAVAATRLZFRCPW-IAGOWNOFSA-N 1 0 380.492 4.475 20 0 GIADRO CCN(CCC[NH+](C)C)C(=O)Nc1cc(NC(=O)Nc2ccccc2)ccc1C ZINC000191283577 823667268 /nfs/dbraw/zinc/66/72/68/823667268.db2.gz WXQSXPOQGDGOKW-UHFFFAOYSA-N 1 0 397.523 4.445 20 0 GIADRO O=C(Nc1cccc(N2CCCCC2)c1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000063394204 823667448 /nfs/dbraw/zinc/66/74/48/823667448.db2.gz NRQFYAPYUULZRO-UHFFFAOYSA-N 1 0 384.568 4.453 20 0 GIADRO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2cc(Br)c(Cl)s2)C1 ZINC000191293446 823668305 /nfs/dbraw/zinc/66/83/05/823668305.db2.gz BSGCXYOTVZHISW-NWJBQHJCSA-N 1 0 384.792 4.333 20 0 GIADRO CCOc1cccc([C@H](C)NC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)c1 ZINC000063404526 823668658 /nfs/dbraw/zinc/66/86/58/823668658.db2.gz BNYPDXPBBYZIRL-KRWDZBQOSA-N 1 0 387.499 4.059 20 0 GIADRO CCOc1cccc([C@@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccccc2F)c1 ZINC000063404590 823668678 /nfs/dbraw/zinc/66/86/78/823668678.db2.gz RUFUCVKPMOWMIH-QGZVFWFLSA-N 1 0 387.499 4.059 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)NCC(C)(C)c2ccccc2OC)c1 ZINC000063408451 823668981 /nfs/dbraw/zinc/66/89/81/823668981.db2.gz NOWRHWOCBXUJFB-UHFFFAOYSA-N 1 0 397.563 4.314 20 0 GIADRO Cc1c([C@H](C)[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)cnn1C(C)(C)C ZINC000191301776 823669188 /nfs/dbraw/zinc/66/91/88/823669188.db2.gz RSGHYJPBQCBWBG-OOHWJJMZSA-N 1 0 378.561 4.433 20 0 GIADRO C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2cc3ccc(Br)cc3[nH]2)CC1 ZINC000125343589 823669446 /nfs/dbraw/zinc/66/94/46/823669446.db2.gz AUOBEEVXXMXTSP-CYBMUJFWSA-N 1 0 390.325 4.019 20 0 GIADRO CCn1cc([C@@H](C)[NH2+]C2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cn1 ZINC000125361483 823670664 /nfs/dbraw/zinc/67/06/64/823670664.db2.gz HAHWTEOCMPHPJM-OAHLLOKOSA-N 1 0 380.458 4.237 20 0 GIADRO COc1ccc([C@H](O)C[NH2+][C@H](C)c2cnn(-c3cc(C)ccc3C)c2C)cc1 ZINC000125361331 823670679 /nfs/dbraw/zinc/67/06/79/823670679.db2.gz WYYMVJDKUYFOMT-UZUQRXQVSA-N 1 0 379.504 4.190 20 0 GIADRO C[C@@H](CCc1ccccc1)NC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000063464556 823673429 /nfs/dbraw/zinc/67/34/29/823673429.db2.gz GIEFLFALSNNRAR-REWPJTCUSA-N 1 0 379.548 4.219 20 0 GIADRO Cc1csc(SCc2ccc(C(=O)NC[C@H]3CC[N@@H+](C(C)C)C3)cc2)n1 ZINC000063490110 823675727 /nfs/dbraw/zinc/67/57/27/823675727.db2.gz ZZSFYLDBWQUFBU-QGZVFWFLSA-N 1 0 389.590 4.204 20 0 GIADRO CCS(=O)(=O)c1ccc2oc(C[NH2+][C@@H]3CCC[C@@H]3Cc3ccccc3)nc2c1 ZINC000191356035 823675948 /nfs/dbraw/zinc/67/59/48/823675948.db2.gz INICURHTMLTTSZ-IEBWSBKVSA-N 1 0 398.528 4.122 20 0 GIADRO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[NH+]1CCC(OC2CCCCC2)CC1 ZINC000125437725 823676146 /nfs/dbraw/zinc/67/61/46/823676146.db2.gz XZMTYXIEWRABDW-MRXNPFEDSA-N 1 0 394.506 4.298 20 0 GIADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc(-c3nc4ccccc4s3)s2)C1 ZINC000063530586 823677786 /nfs/dbraw/zinc/67/77/86/823677786.db2.gz OSIMWYKLJSKYMU-AWEZNQCLSA-N 1 0 385.558 4.485 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccc(OC(C)C)cc2)cc1 ZINC000125464031 823678208 /nfs/dbraw/zinc/67/82/08/823678208.db2.gz VMRTXJKZVKTJKR-HXOBKFHXSA-N 1 0 379.504 4.352 20 0 GIADRO Fc1cc(C[NH2+]Cc2ccccc2OCc2ccncc2)ccc1-n1ccnc1 ZINC000063548748 823678907 /nfs/dbraw/zinc/67/89/07/823678907.db2.gz BEPAPZSSJLTKFU-UHFFFAOYSA-N 1 0 388.446 4.275 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000063551535 823678992 /nfs/dbraw/zinc/67/89/92/823678992.db2.gz JTOWJIZMSSRANS-NRFANRHFSA-N 1 0 380.536 4.472 20 0 GIADRO Cc1cccc2c(CC(=O)Nc3ccc(N(C)C4CC[NH+](C)CC4)cc3)c[nH]c21 ZINC000125476771 823679260 /nfs/dbraw/zinc/67/92/60/823679260.db2.gz NHBHEJPTYXTOBF-UHFFFAOYSA-N 1 0 390.531 4.188 20 0 GIADRO COc1ccc(C[NH2+]CC2(c3cc(Cl)ccc3OC)CCOCC2)cc1 ZINC000063558762 823679250 /nfs/dbraw/zinc/67/92/50/823679250.db2.gz OCNJTZWUIXUZKB-UHFFFAOYSA-N 1 0 375.896 4.195 20 0 GIADRO Cc1ccc2cccc(C(=O)Nc3ccc(N(C)C4CC[NH+](C)CC4)cc3)c2n1 ZINC000125477300 823679353 /nfs/dbraw/zinc/67/93/53/823679353.db2.gz UQNPBQANLQHBAV-UHFFFAOYSA-N 1 0 388.515 4.326 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(Cn2ncn(C(C)(C)C)c2=S)CC1 ZINC000125478189 823679405 /nfs/dbraw/zinc/67/94/05/823679405.db2.gz FDNFLIPVMZRNOV-QGZVFWFLSA-N 1 0 379.618 4.103 20 0 GIADRO Cc1cc(C)c(CNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)c(C)c1 ZINC000063563758 823679767 /nfs/dbraw/zinc/67/97/67/823679767.db2.gz WTLHEOZJLMSPRB-UHFFFAOYSA-N 1 0 381.589 4.241 20 0 GIADRO C[C@H]([NH2+]C[C@@]1(CCO)CCOC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000125495210 823680733 /nfs/dbraw/zinc/68/07/33/823680733.db2.gz QWBDJQOZMVZTFQ-XHDPSFHLSA-N 1 0 385.348 4.164 20 0 GIADRO Cc1cnn(-c2ccc(NC(=O)c3oc4ccccc4c3C[NH+](C)C)cc2F)c1 ZINC000125500842 823681054 /nfs/dbraw/zinc/68/10/54/823681054.db2.gz HICOBCXKXLBUEU-UHFFFAOYSA-N 1 0 392.434 4.380 20 0 GIADRO Cc1ccccc1[C@@H](OC[C@@H](O)C[N@@H+](C(C)C)C1CCOCC1)c1ccccc1 ZINC000125503517 823681232 /nfs/dbraw/zinc/68/12/32/823681232.db2.gz JAMRDYLAFLGECQ-ZCYQVOJMSA-N 1 0 397.559 4.351 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C1CCOCC1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000125505919 823681389 /nfs/dbraw/zinc/68/13/89/823681389.db2.gz OZUCYULWEGWRNR-WDEREUQCSA-N 1 0 378.822 4.091 20 0 GIADRO CC(C)[NH+]1CCC(C(=O)N(Cc2cccc(Br)c2)CC2CC2)CC1 ZINC000191416319 823682772 /nfs/dbraw/zinc/68/27/72/823682772.db2.gz MBXHWKRFAAVJQA-UHFFFAOYSA-N 1 0 393.369 4.308 20 0 GIADRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)cn1 ZINC000191420474 823683268 /nfs/dbraw/zinc/68/32/68/823683268.db2.gz AHXLOIZKOIFZNT-AWEZNQCLSA-N 1 0 384.471 4.393 20 0 GIADRO Cc1cc(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c2cc(Br)ccc2n1 ZINC000461698181 823683363 /nfs/dbraw/zinc/68/33/63/823683363.db2.gz KOOMMTDCIDCCPS-CYBMUJFWSA-N 1 0 392.341 4.012 20 0 GIADRO CC[NH+]1CCN(Cc2ccc(N[C@@H](C)c3cnn(C(C)(C)C)c3C)cc2)CC1 ZINC000191424021 823683919 /nfs/dbraw/zinc/68/39/19/823683919.db2.gz GKIHPGMISUHDAD-SFHVURJKSA-N 1 0 383.584 4.257 20 0 GIADRO CC(C)N(C)c1ccc(CNc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)cn1 ZINC000191425767 823684064 /nfs/dbraw/zinc/68/40/64/823684064.db2.gz PDLWXIRSJIJYHY-UHFFFAOYSA-N 1 0 399.558 4.208 20 0 GIADRO COC(=O)[C@@H](C)c1ccc(NC(=O)c2oc3ccccc3c2C[NH+](C)C)cc1 ZINC000412818039 823685376 /nfs/dbraw/zinc/68/53/76/823685376.db2.gz SRNVDBRFNLPXJS-AWEZNQCLSA-N 1 0 380.444 4.023 20 0 GIADRO Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000461708627 823685399 /nfs/dbraw/zinc/68/53/99/823685399.db2.gz OQMCSKFEFSHMAZ-DYESRHJHSA-N 1 0 397.567 4.174 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)Nc2ccc([C@@H](C)C(=O)OC)cc2)cc1)C(C)C ZINC000412821195 823685552 /nfs/dbraw/zinc/68/55/52/823685552.db2.gz ZLWSZGBGRZBTTP-QGZVFWFLSA-N 1 0 382.504 4.446 20 0 GIADRO CCN(C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1)[C@@H](C)c1cccc(OC)c1 ZINC000461714258 823686263 /nfs/dbraw/zinc/68/62/63/823686263.db2.gz HWUSMZATRDQDBU-MOPGFXCFSA-N 1 0 383.536 4.308 20 0 GIADRO CC(C)c1c(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cnn1-c1ccc(Cl)cc1 ZINC000461713924 823686325 /nfs/dbraw/zinc/68/63/25/823686325.db2.gz VRYNHZVFHURQLW-OAHLLOKOSA-N 1 0 390.959 4.355 20 0 GIADRO Cc1cccc2c1OCC[C@H]2NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000191454743 823687020 /nfs/dbraw/zinc/68/70/20/823687020.db2.gz APDBHVKLKVZCOR-OAQYLSRUSA-N 1 0 378.516 4.237 20 0 GIADRO COc1cc(C)c([C@@H](C)[NH2+]C[C@H](O)c2ccc(OC(F)(F)F)cc2)cc1OC ZINC000125582614 823687398 /nfs/dbraw/zinc/68/73/98/823687398.db2.gz WFXKWMCLFAQNMW-DYVFJYSZSA-N 1 0 399.409 4.295 20 0 GIADRO O=C(CCOc1ccccc1F)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000063679673 823688973 /nfs/dbraw/zinc/68/89/73/823688973.db2.gz CJSJLUZGNLVSBQ-UHFFFAOYSA-N 1 0 384.495 4.287 20 0 GIADRO CCOc1ccc(OCC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000063679985 823688990 /nfs/dbraw/zinc/68/89/90/823688990.db2.gz ZZSNZNCOTQJRLK-UHFFFAOYSA-N 1 0 396.531 4.157 20 0 GIADRO CCCn1ccnc1CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(C)cc1Cl ZINC000191473135 823689013 /nfs/dbraw/zinc/68/90/13/823689013.db2.gz OBEBPEVYRFSXIT-INIZCTEOSA-N 1 0 376.932 4.147 20 0 GIADRO CC[NH+]1CCC(NC(=O)c2ccccc2Nc2ccc(OC(F)F)cc2)CC1 ZINC000063680907 823689137 /nfs/dbraw/zinc/68/91/37/823689137.db2.gz BFUHBBVEUXOLQW-UHFFFAOYSA-N 1 0 389.446 4.246 20 0 GIADRO Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)cc1NC(=O)c1ccccc1 ZINC000063693341 823689837 /nfs/dbraw/zinc/68/98/37/823689837.db2.gz YRCOXOVCVUCIJH-LJQANCHMSA-N 1 0 393.531 4.098 20 0 GIADRO CC(C)(C)OC(=O)CC[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000412897391 823689877 /nfs/dbraw/zinc/68/98/77/823689877.db2.gz JRWOVHFXQACFHE-RTBURBONSA-N 1 0 392.584 4.002 20 0 GIADRO Brc1cccc([C@H]([NH2+]CCc2ccccn2)C2CCOCC2)c1 ZINC000191485119 823690021 /nfs/dbraw/zinc/69/00/21/823690021.db2.gz CNNBHICPNBGDRP-LJQANCHMSA-N 1 0 375.310 4.144 20 0 GIADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@H](C)Sc2cc(Cl)ccc2Cl)C1 ZINC000063706115 823690362 /nfs/dbraw/zinc/69/03/62/823690362.db2.gz MHFNSSRNLOTZMA-QWHCGFSZSA-N 1 0 375.365 4.321 20 0 GIADRO CCCn1ccnc1CCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc2ccccc21 ZINC000191492469 823690754 /nfs/dbraw/zinc/69/07/54/823690754.db2.gz BBKVKSIBLRMBFG-SFHVURJKSA-N 1 0 378.520 4.338 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+]Cc1ccnc(OCC(F)(F)F)c1)CCS2 ZINC000191495390 823691146 /nfs/dbraw/zinc/69/11/46/823691146.db2.gz FVOYEENSWAICQI-OAHLLOKOSA-N 1 0 384.423 4.358 20 0 GIADRO CC(C)(C)n1cc(C[NH2+]CCc2csc(-c3ccc(Cl)cc3)n2)nn1 ZINC000191494346 823691239 /nfs/dbraw/zinc/69/12/39/823691239.db2.gz DUYALOLJAFGBBT-UHFFFAOYSA-N 1 0 375.929 4.142 20 0 GIADRO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000063725217 823691994 /nfs/dbraw/zinc/69/19/94/823691994.db2.gz QHUSMIBFUDRQIX-UHFFFAOYSA-N 1 0 393.890 4.389 20 0 GIADRO COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCN(c3ccccc3OC)C1)CCS2 ZINC000191506752 823693062 /nfs/dbraw/zinc/69/30/62/823693062.db2.gz ZWCTXGWZSSQQED-APWZRJJASA-N 1 0 384.545 4.357 20 0 GIADRO CCC[N@H+](C)CC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000063761928 823693979 /nfs/dbraw/zinc/69/39/79/823693979.db2.gz DVUTUOFQJBNMSL-UHFFFAOYSA-N 1 0 393.409 4.238 20 0 GIADRO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1cccnc1SC(F)(F)F ZINC000063770974 823694546 /nfs/dbraw/zinc/69/45/46/823694546.db2.gz YTLCLFMJDZRDBH-UHFFFAOYSA-N 1 0 375.460 4.030 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)c1cccc(C2OCCO2)c1 ZINC000125671054 823695275 /nfs/dbraw/zinc/69/52/75/823695275.db2.gz AILCQUIUGBNIHZ-UHFFFAOYSA-N 1 0 394.515 4.038 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCN(C(=O)CCc3ccccc3)C1)CCS2 ZINC000191524844 823695294 /nfs/dbraw/zinc/69/52/94/823695294.db2.gz MAGDQJFOZJLLKL-GHTZIAJQSA-N 1 0 396.556 4.055 20 0 GIADRO Cc1ccc(C[NH2+][C@H]2CCCOc3ccc(F)cc32)c(-n2cc(Cl)cn2)n1 ZINC000191529637 823695911 /nfs/dbraw/zinc/69/59/11/823695911.db2.gz RDIQKWFKYFRXIK-SFHVURJKSA-N 1 0 386.858 4.372 20 0 GIADRO CCc1nc2c(s1)[C@H]([NH2+]Cc1ccc(C)nc1-n1cc(Cl)cn1)CCC2 ZINC000191530509 823696126 /nfs/dbraw/zinc/69/61/26/823696126.db2.gz IXQZXGLGPDYBBC-OAHLLOKOSA-N 1 0 387.940 4.415 20 0 GIADRO CCCCn1c(SC[C@@H]2CCCC[N@@H+]2C(C)C)nnc1[C@H](CC)N(C)C ZINC000412979825 823696576 /nfs/dbraw/zinc/69/65/76/823696576.db2.gz DCFUZHJYTNHQBM-ROUUACIJSA-N 1 0 381.634 4.446 20 0 GIADRO C[C@H](O)CC(C)(C)C[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000191533135 823696686 /nfs/dbraw/zinc/69/66/86/823696686.db2.gz OOMUKJFCGMRINE-KSSFIOAISA-N 1 0 384.358 4.304 20 0 GIADRO COc1ccc2c(c1)[C@@H]([NH2+][C@@H](CO)c1cccc(Br)c1)CCS2 ZINC000191534880 823696912 /nfs/dbraw/zinc/69/69/12/823696912.db2.gz PHSNYCOCKZTSRW-IRXDYDNUSA-N 1 0 394.334 4.318 20 0 GIADRO c1ccc(-c2nnc(SCC[N@@H+]3CCCOCC3)nc2-c2ccccc2)cc1 ZINC000412982477 823697084 /nfs/dbraw/zinc/69/70/84/823697084.db2.gz YRYPPCBZHBUOJW-UHFFFAOYSA-N 1 0 392.528 4.020 20 0 GIADRO CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H]1CCSc2ccc(OC)cc21 ZINC000191537209 823697164 /nfs/dbraw/zinc/69/71/64/823697164.db2.gz KLEOLUXWJQRBCX-BEFAXECRSA-N 1 0 391.558 4.074 20 0 GIADRO CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H]1CCSc2ccc(OC)cc21 ZINC000191537164 823697201 /nfs/dbraw/zinc/69/72/01/823697201.db2.gz KLEOLUXWJQRBCX-HNAYVOBHSA-N 1 0 391.558 4.074 20 0 GIADRO CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000461801413 823697517 /nfs/dbraw/zinc/69/75/17/823697517.db2.gz FAAQVOHAEUBAGO-KSSFIOAISA-N 1 0 391.947 4.183 20 0 GIADRO O=C(NCc1cccc2ccccc21)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000063797540 823697599 /nfs/dbraw/zinc/69/75/99/823697599.db2.gz RBNWXCAJAPGKPH-UHFFFAOYSA-N 1 0 391.490 4.443 20 0 GIADRO CCOC(=O)N1CCC([NH2+][C@H](C)c2sc(Cc3ccccc3)nc2C)CC1 ZINC000125699280 823698042 /nfs/dbraw/zinc/69/80/42/823698042.db2.gz SWEBJPDKCBHWCY-OAHLLOKOSA-N 1 0 387.549 4.314 20 0 GIADRO CCOC(=O)c1csc(CC[NH2+][C@H](C)c2cc(Cl)ccc2OCC)n1 ZINC000191554885 823699103 /nfs/dbraw/zinc/69/91/03/823699103.db2.gz IREFYZDVRDZCDO-GFCCVEGCSA-N 1 0 382.913 4.265 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(CS(C)(=O)=O)cc2)c2ccccc12 ZINC000125711828 823698999 /nfs/dbraw/zinc/69/89/99/823698999.db2.gz HFYKKPSQNORCLI-MRXNPFEDSA-N 1 0 383.513 4.244 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000063813179 823699091 /nfs/dbraw/zinc/69/90/91/823699091.db2.gz HPWLVEQZSGNYHB-FGTMMUONSA-N 1 0 383.561 4.337 20 0 GIADRO CCOC(=O)c1csc(CC[NH2+][C@@H](C)c2ccc(Br)s2)n1 ZINC000191564249 823700281 /nfs/dbraw/zinc/70/02/81/823700281.db2.gz WAHBDGQLHBMSEY-VIFPVBQESA-N 1 0 389.340 4.037 20 0 GIADRO OCC[C@@]1(C[NH2+][C@H]2CCCc3nc(-c4ccc(Cl)cc4)sc32)CCOC1 ZINC000125722924 823700402 /nfs/dbraw/zinc/70/04/02/823700402.db2.gz VNKGISHJSFQONX-JXFKEZNVSA-N 1 0 392.952 4.220 20 0 GIADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccccc2OCc2ccccc2Cl)C1 ZINC000063834436 823700447 /nfs/dbraw/zinc/70/04/47/823700447.db2.gz MYJIOENKKXBNGL-KRWDZBQOSA-N 1 0 386.923 4.379 20 0 GIADRO CC[C@@H](CNC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)CC(F)(F)F ZINC000413043968 823701326 /nfs/dbraw/zinc/70/13/26/823701326.db2.gz CYZSLVBBKPLIRP-ZIAGYGMSSA-N 1 0 377.476 4.163 20 0 GIADRO COc1cccc(-c2noc([C@@H](C)NC3CC[NH+](Cc4ccccc4)CC3)n2)c1 ZINC000191567736 823701351 /nfs/dbraw/zinc/70/13/51/823701351.db2.gz VXAXQPPVCNYWHM-QGZVFWFLSA-N 1 0 392.503 4.060 20 0 GIADRO CSCCC[NH+]1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000163322227 823701447 /nfs/dbraw/zinc/70/14/47/823701447.db2.gz FZYQXTADPDDRNU-UHFFFAOYSA-N 1 0 384.589 4.163 20 0 GIADRO COc1ccc2[nH+]c3c(c(N4CCC(C(=O)N(C)C(C)C)CC4)c2c1)CCCC3 ZINC000413049846 823701723 /nfs/dbraw/zinc/70/17/23/823701723.db2.gz CPURPBOBYXFAQS-UHFFFAOYSA-N 1 0 395.547 4.205 20 0 GIADRO CCN(c1ccc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1)C(C)C ZINC000063854026 823702627 /nfs/dbraw/zinc/70/26/27/823702627.db2.gz ZEYKBFGQYTVOCE-UHFFFAOYSA-N 1 0 379.548 4.316 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCc1ccc(OC)c(Cl)c1 ZINC000163346105 823702756 /nfs/dbraw/zinc/70/27/56/823702756.db2.gz VQXTUSQNIPGTTN-UHFFFAOYSA-N 1 0 389.927 4.142 20 0 GIADRO CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1c(F)cc(F)cc1Br ZINC000163352736 823703291 /nfs/dbraw/zinc/70/32/91/823703291.db2.gz RDNFSRCKQRZMAU-YGRLFVJLSA-N 1 0 375.257 4.224 20 0 GIADRO CC(C)[C@@H]1N(C(=O)NCc2ccccc2C[NH+]2CCCCC2)CC12CCOCC2 ZINC000413074527 823703468 /nfs/dbraw/zinc/70/34/68/823703468.db2.gz JOEKBUDLYOCJHO-QFIPXVFZSA-N 1 0 399.579 4.019 20 0 GIADRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cc(C(C)C)nc3c2c(C)nn3C(C)(C)C)C1 ZINC000063865888 823703788 /nfs/dbraw/zinc/70/37/88/823703788.db2.gz XMVZEIXXVHRASQ-QGZVFWFLSA-N 1 0 399.583 4.080 20 0 GIADRO COCCN(C)c1ccc(C[NH2+][C@@H](c2ccc(Cl)cc2F)C(C)C)cn1 ZINC000191581646 823704236 /nfs/dbraw/zinc/70/42/36/823704236.db2.gz SHHHHYKMLLNMJN-HXUWFJFHSA-N 1 0 379.907 4.444 20 0 GIADRO CCCN(C(=O)CCC(=O)c1cc(Cl)sc1Cl)C1CC[NH2+]CC1 ZINC000163366074 823704277 /nfs/dbraw/zinc/70/42/77/823704277.db2.gz SFPYWCNYFDFLCP-UHFFFAOYSA-N 1 0 377.337 4.008 20 0 GIADRO Cc1cccc([C@@H](NC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)c2ccccn2)c1 ZINC000125755493 823704677 /nfs/dbraw/zinc/70/46/77/823704677.db2.gz BIAYPHZJYYXXTN-NZQKXSOJSA-N 1 0 394.563 4.291 20 0 GIADRO CC(=O)c1ccc2c(c1)CN(C(=O)NCc1ccccc1C[NH+]1CCCCC1)C2 ZINC000413087927 823704951 /nfs/dbraw/zinc/70/49/51/823704951.db2.gz ZUIXJXYKEUFMEM-UHFFFAOYSA-N 1 0 391.515 4.101 20 0 GIADRO COc1cccc(C[N@H+](C)CCc2ccncc2)c1OCc1ccccc1F ZINC000574341098 823705089 /nfs/dbraw/zinc/70/50/89/823705089.db2.gz NAGSWBBBUOCKLE-UHFFFAOYSA-N 1 0 380.463 4.483 20 0 GIADRO C[C@H](OCCC[NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1)c1ccccc1 ZINC000163382574 823705233 /nfs/dbraw/zinc/70/52/33/823705233.db2.gz OPUBAGDZZWYCHQ-FQEVSTJZSA-N 1 0 381.564 4.479 20 0 GIADRO Cc1nc(CC2CC2)sc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000191588642 823705277 /nfs/dbraw/zinc/70/52/77/823705277.db2.gz PNMHEWCOUBSVAD-IHWFROFDSA-N 1 0 395.572 4.329 20 0 GIADRO COCC1CCC(NC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000413092581 823705641 /nfs/dbraw/zinc/70/56/41/823705641.db2.gz GPIDOKWFMNCRRU-PGFLUOATSA-N 1 0 387.568 4.065 20 0 GIADRO C[C@H](OCCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000163397224 823706141 /nfs/dbraw/zinc/70/61/41/823706141.db2.gz FIEGJVIKIQYDAP-SFHVURJKSA-N 1 0 383.492 4.321 20 0 GIADRO O=C(C[C@@H]1CCC[N@@H+]1C[C@H]1CN(Cc2ccccc2)CCCO1)c1cccs1 ZINC000574350116 823706499 /nfs/dbraw/zinc/70/64/99/823706499.db2.gz ODONECXTJIPVRG-LEWJYISDSA-N 1 0 398.572 4.076 20 0 GIADRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccccn1)c1ccc(F)c2ccccc21 ZINC000574356469 823707584 /nfs/dbraw/zinc/70/75/84/823707584.db2.gz UQWMLIBFXKQCLF-KRWDZBQOSA-N 1 0 394.494 4.208 20 0 GIADRO Cc1c([C@H](C)[NH2+]C2CCN(C(=O)CC(C)C)CC2)cnn1-c1cc(C)ccc1C ZINC000163415142 823707738 /nfs/dbraw/zinc/70/77/38/823707738.db2.gz NKKHNKHJDZYTCP-IBGZPJMESA-N 1 0 396.579 4.485 20 0 GIADRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)C1(c2ccc(F)cc2)CCOCC1 ZINC000163419506 823707742 /nfs/dbraw/zinc/70/77/42/823707742.db2.gz DTBCLGRAELVGLP-UHFFFAOYSA-N 1 0 396.506 4.417 20 0 GIADRO C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)C[C@H]([NH3+])c2ccccc2)cc1Cl ZINC000163423561 823708183 /nfs/dbraw/zinc/70/81/83/823708183.db2.gz WJXAUGDWSXSBBO-QRWLVFNGSA-N 1 0 399.922 4.383 20 0 GIADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)Cc1c(F)cccc1N1CCCC1 ZINC000574365943 823710448 /nfs/dbraw/zinc/71/04/48/823710448.db2.gz LQAQTGYNWRGEIP-NRFANRHFSA-N 1 0 396.554 4.307 20 0 GIADRO O=C(N[C@@H](c1ccccc1)C1CCC1)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000163456142 823711393 /nfs/dbraw/zinc/71/13/93/823711393.db2.gz VUZMILNZCYHURA-DEOSSOPVSA-N 1 0 392.543 4.162 20 0 GIADRO CCC(O)(CC)C[NH2+]Cc1cc(Br)ccc1OCc1ccccn1 ZINC000063918036 823711582 /nfs/dbraw/zinc/71/15/82/823711582.db2.gz NPCIOWLFKNEAEP-UHFFFAOYSA-N 1 0 393.325 4.064 20 0 GIADRO C[C@](Cc1ccccc1)(NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000413127390 823711719 /nfs/dbraw/zinc/71/17/19/823711719.db2.gz VRRBPJCWUPXQNZ-CQOQZXRMSA-N 1 0 377.532 4.071 20 0 GIADRO Cc1nc(-c2cc([C@H](C)[NH2+][C@H]3CCO[C@@H](c4nccn4C)C3)cs2)cs1 ZINC000574372629 823711929 /nfs/dbraw/zinc/71/19/29/823711929.db2.gz BDBVMHCPZMHXGE-YLQAJVPDSA-N 1 0 388.562 4.484 20 0 GIADRO C[N@H+](CCOc1ccc(C(F)(F)F)cc1)Cc1c[nH]nc1-c1cccnc1 ZINC000191615048 823713291 /nfs/dbraw/zinc/71/32/91/823713291.db2.gz QWSBKUVLRJLBTM-UHFFFAOYSA-N 1 0 376.382 4.001 20 0 GIADRO COc1cc([C@@H](C)[NH2+]C2CCN(c3ccc(C)cn3)CC2)ccc1OC(F)F ZINC000163471774 823713340 /nfs/dbraw/zinc/71/33/40/823713340.db2.gz XHFLVWAMKHUHDU-OAHLLOKOSA-N 1 0 391.462 4.320 20 0 GIADRO CCCn1nc(C)c(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)c1C ZINC000163480900 823714277 /nfs/dbraw/zinc/71/42/77/823714277.db2.gz JEFXCBGGIFPUDS-QGZVFWFLSA-N 1 0 382.552 4.214 20 0 GIADRO O[C@H](COc1ccc(Cl)cc1Cl)C[NH+]1CCC(c2ccncc2)CC1 ZINC000191618005 823714496 /nfs/dbraw/zinc/71/44/96/823714496.db2.gz GNBKBBDBJVJLIU-KRWDZBQOSA-N 1 0 381.303 4.008 20 0 GIADRO O=C(N[C@H](CCc1ccccc1)c1ccccc1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000574383953 823715081 /nfs/dbraw/zinc/71/50/81/823715081.db2.gz XMANUZJSYIXPBZ-ISKFKSNPSA-N 1 0 377.532 4.146 20 0 GIADRO C[C@@H]1C[C@@H]([NH2+][C@@H](CO)c2ccc(Br)cc2C(F)(F)F)C[C@H](C)O1 ZINC000574395240 823718447 /nfs/dbraw/zinc/71/84/47/823718447.db2.gz GQIAWQINBUZBII-HOZXKAFVSA-N 1 0 396.247 4.047 20 0 GIADRO Cc1noc(C)c1CSc1ccccc1C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000574398105 823719207 /nfs/dbraw/zinc/71/92/07/823719207.db2.gz NZJBMVDPODUIAP-QZTJIDSGSA-N 1 0 399.560 4.045 20 0 GIADRO C[C@H]([NH2+]Cc1cccnc1-n1cccn1)c1ccc(Br)cc1F ZINC000125820134 823719426 /nfs/dbraw/zinc/71/94/26/823719426.db2.gz OGHMZWSHJQVBKF-LBPRGKRZSA-N 1 0 375.245 4.020 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@@H]2CCc3c2cccc3F)ccc1S(=O)(=O)C(F)F ZINC000163583550 823725236 /nfs/dbraw/zinc/72/52/36/823725236.db2.gz HXDAKPMSWANBLO-BDJLRTHQSA-N 1 0 399.434 4.169 20 0 GIADRO COc1ccc(-c2cnc(C[N@H+](C[C@H](C)c3ccccc3)[C@@H](C)CO)o2)cc1 ZINC000574423907 823725570 /nfs/dbraw/zinc/72/55/70/823725570.db2.gz YDNDLLYPASJCHE-ROUUACIJSA-N 1 0 380.488 4.337 20 0 GIADRO C[C@H]([NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc([S@](C)=O)cc1 ZINC000163590326 823726325 /nfs/dbraw/zinc/72/63/25/823726325.db2.gz XOKUVLRTJUOHKV-YHAMSUFESA-N 1 0 390.980 4.393 20 0 GIADRO Oc1cccc2c1CCC[C@@H]2[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000191660173 823726354 /nfs/dbraw/zinc/72/63/54/823726354.db2.gz IHKJXEHYUBLASA-HNNXBMFYSA-N 1 0 376.250 4.051 20 0 GIADRO CC(C)[C@@](C)([NH2+]Cc1cc(C(N)=O)cs1)c1ccc(Br)cc1 ZINC000191666810 823727456 /nfs/dbraw/zinc/72/74/56/823727456.db2.gz RPGYXSAJKCQUBP-QGZVFWFLSA-N 1 0 381.339 4.271 20 0 GIADRO COc1ccc([C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)c2ccccc2OC)cc1 ZINC000163614413 823728216 /nfs/dbraw/zinc/72/82/16/823728216.db2.gz SHJYYSUWCAJUPL-HSZRJFAPSA-N 1 0 396.531 4.030 20 0 GIADRO COc1cc(-c2nc(C[NH+]3CCC(c4ccncc4)CC3)cs2)ccc1O ZINC000191670452 823728498 /nfs/dbraw/zinc/72/84/98/823728498.db2.gz LUKIZETYHLLUIN-UHFFFAOYSA-N 1 0 381.501 4.299 20 0 GIADRO C[NH+]1CCN(Cc2ccc(C(=O)N[C@@H](c3ccc(F)cc3)C(C)(C)C)cc2)CC1 ZINC000461867887 823729117 /nfs/dbraw/zinc/72/91/17/823729117.db2.gz SGFDTVIZADFIDQ-QFIPXVFZSA-N 1 0 397.538 4.090 20 0 GIADRO CCC(=O)Nc1ccc(Cl)c(NC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000125855827 823729864 /nfs/dbraw/zinc/72/98/64/823729864.db2.gz JGNYCDTVHPPAED-SFHVURJKSA-N 1 0 388.899 4.113 20 0 GIADRO CC(=O)Nc1ccc(Cl)c(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c1 ZINC000125857486 823730220 /nfs/dbraw/zinc/73/02/20/823730220.db2.gz JGRXDDNTGQSRGH-WBVHZDCISA-N 1 0 391.943 4.025 20 0 GIADRO COC1CCN(CC[NH2+][C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000163640636 823730813 /nfs/dbraw/zinc/73/08/13/823730813.db2.gz IPTIZWOGDHXPSO-GFCCVEGCSA-N 1 0 398.391 4.486 20 0 GIADRO COCCCOC1CC[NH+](Cc2cc(Br)cc3cccnc32)CC1 ZINC000163647331 823732094 /nfs/dbraw/zinc/73/20/94/823732094.db2.gz GITLDVVQNZNEBJ-UHFFFAOYSA-N 1 0 393.325 4.015 20 0 GIADRO COc1cc(Br)ccc1[C@H](C)NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000574444333 823732444 /nfs/dbraw/zinc/73/24/44/823732444.db2.gz YPRIOBXVZCAAOE-SUMWQHHRSA-N 1 0 391.309 4.115 20 0 GIADRO CCOc1ccc2c(c1)C[N@@H+](CCC(=O)N[C@@H]1CCCc3ccccc31)CC2 ZINC000064013610 823733535 /nfs/dbraw/zinc/73/35/35/823733535.db2.gz RYTQJMKYWUREOQ-HSZRJFAPSA-N 1 0 378.516 4.027 20 0 GIADRO Cc1oc2ccccc2c1C[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191686231 823734073 /nfs/dbraw/zinc/73/40/73/823734073.db2.gz BAZUNBBPYPSWAJ-UHFFFAOYSA-N 1 0 396.438 4.324 20 0 GIADRO c1ncn(Cc2ccc(-c3ccccc3C[NH2+]C3Cc4ccccc4C3)cc2)n1 ZINC000461878555 823735053 /nfs/dbraw/zinc/73/50/53/823735053.db2.gz TZAKPSJUJQVNOK-UHFFFAOYSA-N 1 0 380.495 4.250 20 0 GIADRO O=C(NCc1cc(Br)cs1)c1cccc(C[NH+]2CCCC2)c1 ZINC000064026388 823735473 /nfs/dbraw/zinc/73/54/73/823735473.db2.gz KTPOXWBDCVLEJB-UHFFFAOYSA-N 1 0 379.323 4.036 20 0 GIADRO O=C(Nc1cccc(Cl)c1-n1cccn1)c1cccc(C[NH+]2CCCC2)c1 ZINC000064026710 823736300 /nfs/dbraw/zinc/73/63/00/823736300.db2.gz KBYNWSQVJOFSSG-UHFFFAOYSA-N 1 0 380.879 4.374 20 0 GIADRO Fc1ccccc1C[C@H]([NH2+]CCc1nnc2n1CCCCC2)c1ccccc1 ZINC000191692720 823736713 /nfs/dbraw/zinc/73/67/13/823736713.db2.gz OGLFSVGDLNLHHV-NRFANRHFSA-N 1 0 378.495 4.260 20 0 GIADRO CC(C)c1c(NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)cnn1-c1ccccc1Cl ZINC000191694689 823737356 /nfs/dbraw/zinc/73/73/56/823737356.db2.gz RXKYWPUMGCSMDX-INIZCTEOSA-N 1 0 399.926 4.127 20 0 GIADRO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCC[NH+](CC)CC ZINC000461884073 823737701 /nfs/dbraw/zinc/73/77/01/823737701.db2.gz PKOFVUWBNNCDIO-UHFFFAOYSA-N 1 0 377.381 4.417 20 0 GIADRO C[N@@H+](Cc1cccs1)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000064030980 823738052 /nfs/dbraw/zinc/73/80/52/823738052.db2.gz XVAZRYLBBGFFBQ-LBPRGKRZSA-N 1 0 390.730 4.036 20 0 GIADRO Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]Cc2cccc(CN3CCOCC3)c2)c1 ZINC000163692120 823738069 /nfs/dbraw/zinc/73/80/69/823738069.db2.gz IIKBCTRSRBXNEE-QGZVFWFLSA-N 1 0 390.474 4.279 20 0 GIADRO Cn1cc(-c2cc(F)ccc2NC(=O)NC2CC[NH+](C3CCCCC3)CC2)cn1 ZINC000574471913 823739345 /nfs/dbraw/zinc/73/93/45/823739345.db2.gz QNLKGPCMVBEFMB-UHFFFAOYSA-N 1 0 399.514 4.145 20 0 GIADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)Nc2nc3ccccc3s2)CC1 ZINC000163703101 823739389 /nfs/dbraw/zinc/73/93/89/823739389.db2.gz TXWWZUSADOZLOR-CQSZACIVSA-N 1 0 381.505 4.038 20 0 GIADRO Cn1cc([C@H](CO)[NH2+][C@@H](CCCc2ccccc2)Cc2ccc(Cl)cc2)cn1 ZINC000461888783 823739867 /nfs/dbraw/zinc/73/98/67/823739867.db2.gz IYQTYRDOMWCIKB-GOTSBHOMSA-N 1 0 397.950 4.331 20 0 GIADRO CC1(C(=O)N[C@@H]2C[C@@H]2c2c(F)cccc2F)CC[NH+](Cc2ccccc2)CC1 ZINC000163707705 823740447 /nfs/dbraw/zinc/74/04/47/823740447.db2.gz PRDDHOHVLYCTME-FXAWDEMLSA-N 1 0 384.470 4.239 20 0 GIADRO CC[C@H](NC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)c1ccccc1 ZINC000413263177 823741233 /nfs/dbraw/zinc/74/12/33/823741233.db2.gz GUFWTWSULVQHPZ-UGKGYDQZSA-N 1 0 395.547 4.337 20 0 GIADRO c1ccc([C@@H](CN2CCOCC2)[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)cc1 ZINC000163719741 823741470 /nfs/dbraw/zinc/74/14/70/823741470.db2.gz JDBZZRMTGMVTIT-FCHUYYIVSA-N 1 0 378.516 4.096 20 0 GIADRO c1ccc([C@@H](CN2CCOCC2)[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)cc1 ZINC000163719521 823741514 /nfs/dbraw/zinc/74/15/14/823741514.db2.gz JDBZZRMTGMVTIT-FGZHOGPDSA-N 1 0 378.516 4.096 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2cccnc2C(F)(F)F)C1 ZINC000574482902 823742718 /nfs/dbraw/zinc/74/27/18/823742718.db2.gz XLEQYNRLLPBKCG-HIFRSBDPSA-N 1 0 378.398 4.057 20 0 GIADRO CC(C)[C@@H]1N(C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)CC12CCOCC2 ZINC000413273336 823743400 /nfs/dbraw/zinc/74/34/00/823743400.db2.gz BKKRXMRVLIIPHF-UGKGYDQZSA-N 1 0 399.579 4.059 20 0 GIADRO CCC[C@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(OC)c1 ZINC000163742408 823744385 /nfs/dbraw/zinc/74/43/85/823744385.db2.gz NCUDMWPZLBLBFX-VQIMIIECSA-N 1 0 375.534 4.161 20 0 GIADRO C[C@@H](O)[C@](C)(C[NH2+]Cc1ccccc1OCc1cccnc1)Cc1ccccc1 ZINC000191714560 823744405 /nfs/dbraw/zinc/74/44/05/823744405.db2.gz GUKURBBROZCCLH-NLFFAJNJSA-N 1 0 390.527 4.380 20 0 GIADRO COC1CCN(CC[NH2+][C@H](C)c2ccc(OCc3ccc(F)cc3)cc2)CC1 ZINC000163745362 823744509 /nfs/dbraw/zinc/74/45/09/823744509.db2.gz BOSNCZUSQUQKQK-GOSISDBHSA-N 1 0 386.511 4.166 20 0 GIADRO Cc1ccncc1CCC[NH2+]C[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000574486330 823744656 /nfs/dbraw/zinc/74/46/56/823744656.db2.gz ZTENXAPBGVJGEM-WIYYLYMNSA-N 1 0 375.919 4.398 20 0 GIADRO CC[C@@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)c1ccc(OC(F)F)cc1 ZINC000163746587 823745053 /nfs/dbraw/zinc/74/50/53/823745053.db2.gz XHJKTFUROQVNBS-OAQYLSRUSA-N 1 0 390.474 4.361 20 0 GIADRO C[C@@H]([NH2+][C@H](CN1CCOCC1)c1ccccc1)c1cccc(-c2ccncc2)c1 ZINC000163754174 823745610 /nfs/dbraw/zinc/74/56/10/823745610.db2.gz ZSZDGZCXOBHULU-CJFMBICVSA-N 1 0 387.527 4.473 20 0 GIADRO C[C@@H](O)[C@@](C)(C[NH2+]Cc1ccccc1OCc1ccccn1)Cc1ccccc1 ZINC000191719176 823745797 /nfs/dbraw/zinc/74/57/97/823745797.db2.gz GGOGQNDGCPKGMM-CJFMBICVSA-N 1 0 390.527 4.380 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccncc1 ZINC000163772243 823746912 /nfs/dbraw/zinc/74/69/12/823746912.db2.gz CPUZFHIJQMAZQF-UWJYYQICSA-N 1 0 387.549 4.058 20 0 GIADRO COc1ccc([C@H]([NH2+][C@@H]2CCN(CC(F)(F)F)C2)c2ccc(F)cc2)cc1 ZINC000163776757 823747358 /nfs/dbraw/zinc/74/73/58/823747358.db2.gz YPOVIKFGARHODI-IEBWSBKVSA-N 1 0 382.401 4.150 20 0 GIADRO Cc1cc(-n2c(C)cn(C[N@H+](Cc3ccc(F)cc3)C3CCCCC3)c2=O)no1 ZINC000064110507 823747428 /nfs/dbraw/zinc/74/74/28/823747428.db2.gz HPFVFYWSEOWOBL-UHFFFAOYSA-N 1 0 398.482 4.175 20 0 GIADRO Cc1cc(C[NH2+][C@@H](C)c2ccc(OC(F)(F)F)cc2)ccc1-n1cncn1 ZINC000191725641 823748040 /nfs/dbraw/zinc/74/80/40/823748040.db2.gz BRAUZHMNSQKFIF-AWEZNQCLSA-N 1 0 376.382 4.325 20 0 GIADRO COc1cc2[nH+]ccc(N3CCC(c4noc(C(C)C)n4)CC3)c2cc1OC ZINC000413299708 823748260 /nfs/dbraw/zinc/74/82/60/823748260.db2.gz IIUFSYJPUDZIJP-UHFFFAOYSA-N 1 0 382.464 4.142 20 0 GIADRO CCOc1ccc(Cl)cc1[C@H](C)[NH2+]Cc1cccc(OCC(=O)N(C)C)c1 ZINC000163788299 823748595 /nfs/dbraw/zinc/74/85/95/823748595.db2.gz BOJFSLOYQRXWOD-HNNXBMFYSA-N 1 0 390.911 4.057 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)[C@H](C)c1nc2ccccc2s1 ZINC000163805227 823750528 /nfs/dbraw/zinc/75/05/28/823750528.db2.gz WICWLRYFEWLIQQ-JKSUJKDBSA-N 1 0 397.544 4.045 20 0 GIADRO COc1ccc([C@H](CNC(=O)Nc2c(C)cccc2F)[NH+]2CCCCC2)cc1 ZINC000461912120 823750960 /nfs/dbraw/zinc/75/09/60/823750960.db2.gz HRYXTHUOMBQHED-FQEVSTJZSA-N 1 0 385.483 4.491 20 0 GIADRO C[C@@H](C(=O)Nc1ccc(F)cc1Cl)N1CC[NH+](CC2CCCCC2)CC1 ZINC000064129828 823752296 /nfs/dbraw/zinc/75/22/96/823752296.db2.gz VWIZDVBUGCWFGZ-HNNXBMFYSA-N 1 0 381.923 4.004 20 0 GIADRO O=C(Nc1cccc(CNC2CC[NH+](CC3CC3)CC2)c1)c1ccc(F)cc1 ZINC000125964136 823754899 /nfs/dbraw/zinc/75/48/99/823754899.db2.gz CXFWWBYYOBIXHL-UHFFFAOYSA-N 1 0 381.495 4.042 20 0 GIADRO CCc1nc2ccc(Cl)cn2c1C(=O)N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000461921558 823756507 /nfs/dbraw/zinc/75/65/07/823756507.db2.gz NPCFTXFQFMHRNB-ZOBUZTSGSA-N 1 0 388.943 4.028 20 0 GIADRO COc1ccc([C@H](C[NH+](C)C)NCc2cn(-c3ccccc3)nc2C(C)C)cc1 ZINC000574539301 823758731 /nfs/dbraw/zinc/75/87/31/823758731.db2.gz QZOFEMCRRBGSMA-QHCPKHFHSA-N 1 0 392.547 4.397 20 0 GIADRO Cc1ccc(-c2ncc(C[NH2+][C@H]3CCN(Cc4ccc(F)cc4)C3=O)s2)cc1 ZINC000191761198 823759465 /nfs/dbraw/zinc/75/94/65/823759465.db2.gz HAQJXPNAPRBYTB-FQEVSTJZSA-N 1 0 395.503 4.148 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)N2CCSC3(CCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000413361136 823759947 /nfs/dbraw/zinc/75/99/47/823759947.db2.gz OBNVHNFMDLQFML-UYAOXDASSA-N 1 0 387.593 4.111 20 0 GIADRO C[C@@H](CC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)c1ccc(F)c(Br)c1 ZINC000461929460 823761180 /nfs/dbraw/zinc/76/11/80/823761180.db2.gz UDJZDPRUCVVVCT-GOEBONIOSA-N 1 0 397.332 4.169 20 0 GIADRO CCCN(CC[NH+](CC)CC)C(=O)Nc1c(F)cc(Br)cc1F ZINC000461930427 823762106 /nfs/dbraw/zinc/76/21/06/823762106.db2.gz GCMORLFJDNTELI-UHFFFAOYSA-N 1 0 392.288 4.313 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)CSCc3cscn3)cc2)C1 ZINC000125994604 823762439 /nfs/dbraw/zinc/76/24/39/823762439.db2.gz BSOBQBSXCZVRBN-HNNXBMFYSA-N 1 0 375.563 4.247 20 0 GIADRO Cc1cc(N2CC[C@@](CO)(c3ccccc3)C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000461931583 823762436 /nfs/dbraw/zinc/76/24/36/823762436.db2.gz OWYMIDMRCAVQRH-JOCHJYFZSA-N 1 0 384.426 4.285 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)Nc1cc(F)ccc1OCC1CC1 ZINC000191774616 823763453 /nfs/dbraw/zinc/76/34/53/823763453.db2.gz UXUVUYQCLVXAMT-UHFFFAOYSA-N 1 0 398.482 4.048 20 0 GIADRO COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000191777023 823764537 /nfs/dbraw/zinc/76/45/37/823764537.db2.gz BOPLBKJHOWHUNL-AWEZNQCLSA-N 1 0 397.947 4.138 20 0 GIADRO Cc1nn2c(nc(C)cc2C)c1C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000126022274 823768350 /nfs/dbraw/zinc/76/83/50/823768350.db2.gz HLZXJHWJOPYJAC-OAHLLOKOSA-N 1 0 391.519 4.139 20 0 GIADRO Cc1noc(C)c1CSc1ccccc1C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000574571689 823769550 /nfs/dbraw/zinc/76/95/50/823769550.db2.gz WGIYJZPOTJVTDE-QAQDUYKDSA-N 1 0 387.549 4.079 20 0 GIADRO Cc1ccc([C@H]2CCCN2C(=O)CC[NH+]2CCN(c3ccccc3)CC2)cc1C ZINC000461955134 823770671 /nfs/dbraw/zinc/77/06/71/823770671.db2.gz FJEBGFYLACKMSO-XMMPIXPASA-N 1 0 391.559 4.179 20 0 GIADRO COc1ccc2oc(C[NH2+]C3CCN(c4ccc(N(C)C)cc4)CC3)cc2c1 ZINC000126033493 823770766 /nfs/dbraw/zinc/77/07/66/823770766.db2.gz PALUCXHPIZBADB-UHFFFAOYSA-N 1 0 379.504 4.266 20 0 GIADRO Clc1sccc1CNC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000574586330 823772847 /nfs/dbraw/zinc/77/28/47/823772847.db2.gz BWFRUGDBUYGPDS-LJQANCHMSA-N 1 0 390.980 4.420 20 0 GIADRO CC(C)[C@@H](c1ccccc1)N(C)C(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000164048724 823773800 /nfs/dbraw/zinc/77/38/00/823773800.db2.gz LLIGYLXOTYECSX-DEOSSOPVSA-N 1 0 394.559 4.360 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)Nc2cc(F)ccc2OCC(F)(F)F)c1 ZINC000126052806 823775857 /nfs/dbraw/zinc/77/58/57/823775857.db2.gz JXBMHFMCYAHACJ-UHFFFAOYSA-N 1 0 399.388 4.150 20 0 GIADRO CC(C)[NH+]1CCC(C(=O)Nc2cccc(-c3nc4ccccc4n3C)c2)CC1 ZINC000461969145 823776668 /nfs/dbraw/zinc/77/66/68/823776668.db2.gz IWLVGTMFLCIQEL-UHFFFAOYSA-N 1 0 376.504 4.299 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CC(C)(C)NC(=O)OC(C)(C)C ZINC000164091435 823776802 /nfs/dbraw/zinc/77/68/02/823776802.db2.gz HSIHUUVINCXFKS-CYBMUJFWSA-N 1 0 390.553 4.467 20 0 GIADRO COc1ccc(CN(C)C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1Cl ZINC000413434307 823777255 /nfs/dbraw/zinc/77/72/55/823777255.db2.gz DKTULEXOBWOJLY-DOTOQJQBSA-N 1 0 393.959 4.143 20 0 GIADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1sc2ccccc2c1Br ZINC000574611343 823780739 /nfs/dbraw/zinc/78/07/39/823780739.db2.gz OMAOHOHRBGRVKF-LBPRGKRZSA-N 1 0 381.339 4.078 20 0 GIADRO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1c(F)c(F)cc(F)c1F ZINC000574614501 823782516 /nfs/dbraw/zinc/78/25/16/823782516.db2.gz RNNMNTHXFLLLDS-HNNXBMFYSA-N 1 0 394.412 4.275 20 0 GIADRO CC(=O)Nc1cccc(-n2c(SCCC[NH+]3CCCCC3)nnc2C2CC2)c1 ZINC000191821365 823782941 /nfs/dbraw/zinc/78/29/41/823782941.db2.gz SNYJHLHNRHGMGI-UHFFFAOYSA-N 1 0 399.564 4.071 20 0 GIADRO COc1ccc([C@H](C)[NH2+]C[C@H](c2cccnc2)C(C)C)cc1Cn1cccn1 ZINC000164186104 823784174 /nfs/dbraw/zinc/78/41/74/823784174.db2.gz OFWZLMLHOPJCOD-AVRDEDQJSA-N 1 0 378.520 4.425 20 0 GIADRO CC[C@H](C[NH2+]CCC(=O)Nc1cc(OC)c(Cl)cc1OC)c1ccccc1 ZINC000574629552 823785692 /nfs/dbraw/zinc/78/56/92/823785692.db2.gz VLQHPIAGZNMODB-OAHLLOKOSA-N 1 0 390.911 4.469 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1C ZINC000413497178 823787670 /nfs/dbraw/zinc/78/76/70/823787670.db2.gz LERRUSYYOPBIHS-ZOBUZTSGSA-N 1 0 386.458 4.095 20 0 GIADRO CC(C)(C)[C@H]1CCC[C@H]1NC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000413504276 823788825 /nfs/dbraw/zinc/78/88/25/823788825.db2.gz NKCDOUATWYUCRF-SJJHQCBESA-N 1 0 389.506 4.306 20 0 GIADRO Cc1ccc(CNC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000064316797 823790091 /nfs/dbraw/zinc/79/00/91/823790091.db2.gz LABZHIXAPPLTRB-FQEVSTJZSA-N 1 0 376.422 4.066 20 0 GIADRO Cc1ccc([C@H](C)[NH2+]Cc2cccnc2Oc2cccc(S(C)(=O)=O)c2)cc1 ZINC000164260337 823791117 /nfs/dbraw/zinc/79/11/17/823791117.db2.gz SNFMEINATGTJPI-KRWDZBQOSA-N 1 0 396.512 4.437 20 0 GIADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)Nc2cc(C)ccc2C)cc1 ZINC000191837147 823791927 /nfs/dbraw/zinc/79/19/27/823791927.db2.gz RIXHARUUUUTCHA-UHFFFAOYSA-N 1 0 382.508 4.019 20 0 GIADRO C[C@@H](CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)CC(F)(F)F ZINC000413526035 823792344 /nfs/dbraw/zinc/79/23/44/823792344.db2.gz BAYAQBIVZFZCJQ-NVXWUHKLSA-N 1 0 385.474 4.175 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CN[C@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000574657396 823792971 /nfs/dbraw/zinc/79/29/71/823792971.db2.gz MTXYSFNMEGSRIS-SBUREZEXSA-N 1 0 393.510 4.197 20 0 GIADRO COc1cccc(Cl)c1C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000462009456 823793464 /nfs/dbraw/zinc/79/34/64/823793464.db2.gz JTEDTPWYLILEKE-UHFFFAOYSA-N 1 0 386.923 4.129 20 0 GIADRO Cc1nc(C(F)(F)F)sc1C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000462016971 823795809 /nfs/dbraw/zinc/79/58/09/823795809.db2.gz QJOABIFLEYGYHP-CQSZACIVSA-N 1 0 389.487 4.199 20 0 GIADRO CC[C@H](C(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1)[NH+](CC)CC ZINC000462019192 823796638 /nfs/dbraw/zinc/79/66/38/823796638.db2.gz XEHBFGDKCCQIOQ-SJORKVTESA-N 1 0 391.314 4.153 20 0 GIADRO Clc1cccc(C2(C[NH2+][C@@H](c3ncc[nH]3)c3ccccc3)CCOCC2)c1 ZINC000126139238 823797799 /nfs/dbraw/zinc/79/77/99/823797799.db2.gz OIWFWCQQGCCPGO-HXUWFJFHSA-N 1 0 381.907 4.491 20 0 GIADRO Cc1csc(N2CCC([NH2+][C@@H]3CCCN(c4ccccc4Cl)C3)CC2)n1 ZINC000164368481 823798379 /nfs/dbraw/zinc/79/83/79/823798379.db2.gz BHGAFSUFLXUVQX-QGZVFWFLSA-N 1 0 390.984 4.332 20 0 GIADRO Cc1nc(CC2CC2)sc1C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000191862567 823798699 /nfs/dbraw/zinc/79/86/99/823798699.db2.gz UQMFWYPCMJLHQF-QAPCUYQASA-N 1 0 389.590 4.278 20 0 GIADRO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000462024164 823799365 /nfs/dbraw/zinc/79/93/65/823799365.db2.gz DDPRMOAFPWCQKJ-GOSISDBHSA-N 1 0 385.939 4.072 20 0 GIADRO COc1ccc(C[NH2+][C@@H](Cc2cccnc2)c2cccc(Cl)c2)c(OC)n1 ZINC000574679715 823799357 /nfs/dbraw/zinc/79/93/57/823799357.db2.gz LEISAFXODJDOLJ-IBGZPJMESA-N 1 0 383.879 4.221 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2Cl)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000164390411 823800118 /nfs/dbraw/zinc/80/01/18/823800118.db2.gz BVYRQMPONUTPTF-DOTOQJQBSA-N 1 0 392.952 4.063 20 0 GIADRO C[C@@H](Oc1ccc(C(=O)N2CCC3(CC[NH2+]CC3)CC2)cc1)c1ccccc1 ZINC000574683953 823800557 /nfs/dbraw/zinc/80/05/57/823800557.db2.gz NMVUYWZRSBMJFF-LJQANCHMSA-N 1 0 378.516 4.432 20 0 GIADRO COc1cccc(CNc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)c1OC ZINC000126156292 823801766 /nfs/dbraw/zinc/80/17/66/823801766.db2.gz NMXWHZWZAIUDHB-UHFFFAOYSA-N 1 0 397.519 4.130 20 0 GIADRO C[N@H+](CCCCNC(=O)N1CC(Cc2ccccc2)(c2ccccc2)C1)C1CC1 ZINC000413600501 823802550 /nfs/dbraw/zinc/80/25/50/823802550.db2.gz GPQPXFOVNBCYOE-UHFFFAOYSA-N 1 0 391.559 4.067 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CCc2c[nH]c3c2cccc3C)cc1 ZINC000164431557 823802953 /nfs/dbraw/zinc/80/29/53/823802953.db2.gz QFSBLNHBPJQFBP-MRXNPFEDSA-N 1 0 385.533 4.131 20 0 GIADRO Cc1cccc2c(CC[NH2+]C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c[nH]c21 ZINC000164449955 823803148 /nfs/dbraw/zinc/80/31/48/823803148.db2.gz JUONRQXOECVYCB-UHFFFAOYSA-N 1 0 378.476 4.186 20 0 GIADRO CC(C)(C)[C@@H]1CCCN(C(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)CC1 ZINC000164450004 823803187 /nfs/dbraw/zinc/80/31/87/823803187.db2.gz LMHZYNWIUSTJFI-JOCHJYFZSA-N 1 0 386.580 4.179 20 0 GIADRO O=C(Nc1ccccc1)c1nnc(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)s1 ZINC000191884342 823803535 /nfs/dbraw/zinc/80/35/35/823803535.db2.gz JQUCSIDTSYGLDU-MJGOQNOKSA-N 1 0 392.528 4.291 20 0 GIADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)Nc1ccccc1CCC(F)(F)F ZINC000126169380 823804338 /nfs/dbraw/zinc/80/43/38/823804338.db2.gz GOHNAMPZHIWUIM-UHFFFAOYSA-N 1 0 394.441 4.172 20 0 GIADRO Cc1cc2sc(NC(=O)N3CCCC[C@@H]([NH+]4CCCC4)C3)nc2cc1F ZINC000574709100 823805300 /nfs/dbraw/zinc/80/53/00/823805300.db2.gz BCNRBDXJNAXGPO-CQSZACIVSA-N 1 0 376.501 4.226 20 0 GIADRO CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2COc3c(cccc3OC)C2)cc1 ZINC000164508749 823805971 /nfs/dbraw/zinc/80/59/71/823805971.db2.gz LYHIDUWRNBSZRZ-JXFKEZNVSA-N 1 0 397.519 4.223 20 0 GIADRO Cc1noc(-c2ccccc2)c1NC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000126181925 823806874 /nfs/dbraw/zinc/80/68/74/823806874.db2.gz GFXPQBXLIOQPPM-SFHVURJKSA-N 1 0 382.439 4.214 20 0 GIADRO C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+][C@H]1CCc2ccccc2C1 ZINC000462039349 823807002 /nfs/dbraw/zinc/80/70/02/823807002.db2.gz IMCIYUQQLQCBAH-AVRDEDQJSA-N 1 0 377.532 4.151 20 0 GIADRO COc1ccc(C[NH2+][C@@H](C)c2ccc(F)c(Br)c2)c(OC)c1OC ZINC000164528917 823807187 /nfs/dbraw/zinc/80/71/87/823807187.db2.gz LOHQRRYMWFAREI-NSHDSACASA-N 1 0 398.272 4.465 20 0 GIADRO CC(C)CC(=O)Nc1ccc(NC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000126184471 823807439 /nfs/dbraw/zinc/80/74/39/823807439.db2.gz CZHDKIIZKIPSDC-FQEVSTJZSA-N 1 0 382.508 4.096 20 0 GIADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)N[C@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000462040234 823807669 /nfs/dbraw/zinc/80/76/69/823807669.db2.gz MBFBLECUHFLPOO-NJAPINKUSA-N 1 0 384.351 4.426 20 0 GIADRO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000126186932 823807917 /nfs/dbraw/zinc/80/79/17/823807917.db2.gz UDRBHUOHMYTSRW-ZFWWWQNUSA-N 1 0 378.394 4.016 20 0 GIADRO Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@@H]3CCC[C@H]3c3ccccc3)CC2)cc1 ZINC000462041071 823808073 /nfs/dbraw/zinc/80/80/73/823808073.db2.gz QBHSCJPLTAQHNL-XZOQPEGZSA-N 1 0 398.572 4.074 20 0 GIADRO Cc1cccc(N2CC[NH+](CCC(=O)N[C@H](C)c3cccc(Cl)c3)CC2)c1 ZINC000462042002 823808663 /nfs/dbraw/zinc/80/86/63/823808663.db2.gz SXZFNDKBGABWCJ-GOSISDBHSA-N 1 0 385.939 4.038 20 0 GIADRO Cc1ccc(OCc2ccc(C(=O)N3CCC[C@@H]4C[N@H+](C)CC[C@H]43)o2)c(C)c1 ZINC000164560628 823808675 /nfs/dbraw/zinc/80/86/75/823808675.db2.gz MZFHVIBLMJHNGD-UYAOXDASSA-N 1 0 382.504 4.032 20 0 GIADRO Cc1ccc(OCc2ccc(C(=O)N3CCC[C@H]4C[N@H+](C)CC[C@H]43)o2)c(C)c1 ZINC000164560496 823808853 /nfs/dbraw/zinc/80/88/53/823808853.db2.gz MZFHVIBLMJHNGD-AZUAARDMSA-N 1 0 382.504 4.032 20 0 GIADRO COC(=O)C[C@](C)([NH2+]Cc1ccc(OCc2ccccc2)cc1)c1ccncc1 ZINC000191906065 823809228 /nfs/dbraw/zinc/80/92/28/823809228.db2.gz OBNXORUMGPQLCM-DEOSSOPVSA-N 1 0 390.483 4.229 20 0 GIADRO C[C@H](NC(=O)[C@H](C)[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O)c1cc2ccccc2o1 ZINC000574723531 823810165 /nfs/dbraw/zinc/81/01/65/823810165.db2.gz RMKRAQXDWIKDMT-UFHDJZAFSA-N 1 0 384.520 4.014 20 0 GIADRO CCC[NH+]1CCN(c2ccc(NC(=O)c3ccc4c(c3)COC4)cc2Cl)CC1 ZINC000064395320 823810244 /nfs/dbraw/zinc/81/02/44/823810244.db2.gz QAVBXBYCZQMBEJ-UHFFFAOYSA-N 1 0 399.922 4.155 20 0 GIADRO CCCn1ccnc1CCC[N@H+](C)Cc1cccc(Br)c1OC ZINC000574725564 823810490 /nfs/dbraw/zinc/81/04/90/823810490.db2.gz GBKIXHFIVGBHLL-UHFFFAOYSA-N 1 0 380.330 4.129 20 0 GIADRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1cc(-c2ccccc2C(F)(F)F)on1 ZINC000462049111 823811430 /nfs/dbraw/zinc/81/14/30/823811430.db2.gz NCEILVPTLQLLLR-ZDUSSCGKSA-N 1 0 393.409 4.107 20 0 GIADRO CCc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CC(=O)N(CC)CC)cc1 ZINC000064411418 823813034 /nfs/dbraw/zinc/81/30/34/823813034.db2.gz ZKPKQOGRCRYTBG-UHFFFAOYSA-N 1 0 390.531 4.060 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)Nc2ccc(OCC)c(OC)c2)CC1 ZINC000126222515 823815504 /nfs/dbraw/zinc/81/55/04/823815504.db2.gz NQGIKZZISSHXBW-UHFFFAOYSA-N 1 0 377.529 4.070 20 0 GIADRO CN(C(=O)N[C@@H]1CCc2sc(Cl)cc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000462061302 823816734 /nfs/dbraw/zinc/81/67/34/823816734.db2.gz QLUHNDCOEXGOQE-NVXWUHKLSA-N 1 0 389.952 4.305 20 0 GIADRO C[C@H](CNC(=O)Nc1cccc(C2SCCS2)c1)C[NH+]1CCCCC1 ZINC000126240596 823818818 /nfs/dbraw/zinc/81/88/18/823818818.db2.gz IBYCEEQGLDAUCY-OAHLLOKOSA-N 1 0 379.595 4.409 20 0 GIADRO COc1ccc(NC(=O)C[C@H](C)[NH2+]CC(C)(C)c2ccc(F)cc2)c(OC)c1 ZINC000164773748 823819218 /nfs/dbraw/zinc/81/92/18/823819218.db2.gz CLNFCBKOTSKHIO-HNNXBMFYSA-N 1 0 388.483 4.127 20 0 GIADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000413694720 823819323 /nfs/dbraw/zinc/81/93/23/823819323.db2.gz DZXLJVDLZLGWTQ-ZTNFWEORSA-N 1 0 377.960 4.348 20 0 GIADRO CC1(C)Oc2ccsc2[C@@H](N[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)[C@@H]1O ZINC000574756504 823819900 /nfs/dbraw/zinc/81/99/00/823819900.db2.gz ZQPANEJQMQACAV-DSKINZAPSA-N 1 0 398.572 4.108 20 0 GIADRO CC[C@H]1CN(c2ccccc2)CCN1Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000462074051 823820172 /nfs/dbraw/zinc/82/01/72/823820172.db2.gz ZLUUVYQKCQNRFA-SFHVURJKSA-N 1 0 384.593 4.010 20 0 GIADRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)CCc2ccco2)CC1 ZINC000064447797 823820411 /nfs/dbraw/zinc/82/04/11/823820411.db2.gz WYKVQGNRTPEDFK-UHFFFAOYSA-N 1 0 394.437 4.354 20 0 GIADRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)[C@@H]2CC=CCC2)CC1 ZINC000064448233 823820442 /nfs/dbraw/zinc/82/04/42/823820442.db2.gz XRQKYMLUWSZIIO-QGZVFWFLSA-N 1 0 380.454 4.485 20 0 GIADRO C[C@@H](C(=O)NCc1ccc(F)c(C[NH+](C)C)c1)c1cccc(Br)c1 ZINC000462076507 823820752 /nfs/dbraw/zinc/82/07/52/823820752.db2.gz QTQJFBGVHWDELC-CYBMUJFWSA-N 1 0 393.300 4.070 20 0 GIADRO C[C@@H]1CCCN(c2cc(C(=O)N3CCC[C@H](C[N@@H+]4CCCC[C@@H]4C)C3)ccn2)C1 ZINC000462075297 823820786 /nfs/dbraw/zinc/82/07/86/823820786.db2.gz FRSKXPAZQZHKCQ-QHAWAJNXSA-N 1 0 398.595 4.045 20 0 GIADRO C[C@@H]1CCCN(c2cc(C(=O)N3CCC[C@H](C[N@@H+]4CCCC[C@H]4C)C3)ccn2)C1 ZINC000462075295 823820822 /nfs/dbraw/zinc/82/08/22/823820822.db2.gz FRSKXPAZQZHKCQ-NJDAHSKKSA-N 1 0 398.595 4.045 20 0 GIADRO Cc1ccccc1-c1cc(NC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)n(C)n1 ZINC000462079528 823821512 /nfs/dbraw/zinc/82/15/12/823821512.db2.gz FKPIGQLQTYDTAP-KRWDZBQOSA-N 1 0 383.540 4.029 20 0 GIADRO CCCn1ncc(NC(=O)N2CCCN(Cc3ccc(F)cc3)CC2)c1C1CC1 ZINC000574769855 823821880 /nfs/dbraw/zinc/82/18/80/823821880.db2.gz WZMYYNMBKQHRCB-UHFFFAOYSA-N 1 0 399.514 4.049 20 0 GIADRO FC(F)(F)c1ccc(-c2nc(CN3CCC[C@@H]([NH+]4CCCC4)C3)co2)cc1 ZINC000164855510 823823273 /nfs/dbraw/zinc/82/32/73/823823273.db2.gz FRTZQUBHINTYMI-GOSISDBHSA-N 1 0 379.426 4.421 20 0 GIADRO COc1ccccc1[C@H]1[C@@H]([NH3+])CCCN1C(=O)[C@H](C)CCc1ccccc1F ZINC000574775099 823823621 /nfs/dbraw/zinc/82/36/21/823823621.db2.gz ONUSGTLYWGBESW-BUVFEPMLSA-N 1 0 384.495 4.094 20 0 GIADRO C[NH+]1CCC2(CCCN2C(=O)N[C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000413718306 823824700 /nfs/dbraw/zinc/82/47/00/823824700.db2.gz PTOVGGUGTUFGMO-MJGOQNOKSA-N 1 0 375.944 4.246 20 0 GIADRO O=C(Nc1ccc2c(c1)C[NH2+]CCO2)N[C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000574783438 823825413 /nfs/dbraw/zinc/82/54/13/823825413.db2.gz CISASYUAPCBCHU-IBGZPJMESA-N 1 0 389.858 4.234 20 0 GIADRO CC[C@@H](C)[NH2+][C@H](CNC(=O)c1c[nH]nc1-c1ccc(Cl)cc1)c1ccco1 ZINC000574785081 823825784 /nfs/dbraw/zinc/82/57/84/823825784.db2.gz KDMWBBUMUAEPLU-CXAGYDPISA-N 1 0 386.883 4.182 20 0 GIADRO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CCC(=O)Nc1ccccc1 ZINC000164949950 823826052 /nfs/dbraw/zinc/82/60/52/823826052.db2.gz FNQLVYVLKNPQSI-CQSZACIVSA-N 1 0 393.409 4.041 20 0 GIADRO O=C(N[C@H]1CC[C@H](c2ccc(Cl)cc2)C1)N1CCC([NH+]2CCCC2)CC1 ZINC000413727236 823826633 /nfs/dbraw/zinc/82/66/33/823826633.db2.gz WVWLNDBHUHJGLG-HKUYNNGSSA-N 1 0 375.944 4.246 20 0 GIADRO O=C(N[C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000413732612 823827423 /nfs/dbraw/zinc/82/74/23/823827423.db2.gz ZWYJGKBKAVOKGB-YVWKXTFCSA-N 1 0 375.944 4.103 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000064489429 823829565 /nfs/dbraw/zinc/82/95/65/823829565.db2.gz NTPSMJGYMHFIIB-SFTDATJTSA-N 1 0 386.898 4.363 20 0 GIADRO O[C@@H](C1CCN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)CC1)C(F)(F)F ZINC000126284777 823829486 /nfs/dbraw/zinc/82/94/86/823829486.db2.gz FZTPWZQRUFEXNJ-HNNXBMFYSA-N 1 0 378.316 4.393 20 0 GIADRO CCOc1cccc([C@H](C)[NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)c1 ZINC000165008783 823829629 /nfs/dbraw/zinc/82/96/29/823829629.db2.gz DABHOSZIVWEFPP-KRWDZBQOSA-N 1 0 378.472 4.459 20 0 GIADRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)c1nc2ccccc2cc1Cl ZINC000574798379 823829867 /nfs/dbraw/zinc/82/98/67/823829867.db2.gz JADKWSPUXKBRTC-UHFFFAOYSA-N 1 0 393.918 4.325 20 0 GIADRO COc1cccc([C@H](CNC(=O)Nc2ccc3nc(C)oc3c2)[NH+]2CCCC2)c1 ZINC000126286847 823830764 /nfs/dbraw/zinc/83/07/64/823830764.db2.gz YXAOBTOLAZXFQL-FQEVSTJZSA-N 1 0 394.475 4.103 20 0 GIADRO Brc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](c4cc[nH]n4)C3)co2)cc1 ZINC000064508720 823832050 /nfs/dbraw/zinc/83/20/50/823832050.db2.gz OETDAXVASYQWTM-CQSZACIVSA-N 1 0 387.281 4.207 20 0 GIADRO Cc1ccc(-c2ccc(C[NH2+]Cc3cccc(NS(C)(=O)=O)c3)s2)cc1 ZINC000165053193 823832334 /nfs/dbraw/zinc/83/23/34/823832334.db2.gz FBROKSJRFMGTNE-UHFFFAOYSA-N 1 0 386.542 4.385 20 0 GIADRO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3cccc(Br)c3F)C2)CC1 ZINC000192001563 823833328 /nfs/dbraw/zinc/83/33/28/823833328.db2.gz NYWCPWIQWZCLEI-OAHLLOKOSA-N 1 0 397.332 4.172 20 0 GIADRO C[C@H]([NH2+]C1CCC2(CCCO2)CC1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000574810098 823833352 /nfs/dbraw/zinc/83/33/52/823833352.db2.gz WFUXJNCMRUUOPI-HLFJOQDNSA-N 1 0 379.504 4.476 20 0 GIADRO CC[C@@H](Cc1ccccc1)[NH2+]Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000462116181 823833431 /nfs/dbraw/zinc/83/34/31/823833431.db2.gz GQWOMWKPRWCBHY-IBGZPJMESA-N 1 0 379.529 4.184 20 0 GIADRO C[C@@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)c1ccccc1OC(F)(F)F ZINC000165093506 823833858 /nfs/dbraw/zinc/83/38/58/823833858.db2.gz GVBBOGJWPCMXKQ-CQSZACIVSA-N 1 0 380.410 4.180 20 0 GIADRO CCN(C(=O)NC[C@H](C)CC(F)(F)F)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000413752114 823833671 /nfs/dbraw/zinc/83/36/71/823833671.db2.gz VQPJRAZOHITTTB-JFIYKMOQSA-N 1 0 385.474 4.442 20 0 GIADRO COCCN1CCC([NH2+][C@H]2CCCC[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000462118209 823834218 /nfs/dbraw/zinc/83/42/18/823834218.db2.gz DUYRHDZHMFYCOO-PMACEKPBSA-N 1 0 384.486 4.432 20 0 GIADRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cc(-c2ccccc2)on1 ZINC000064521837 823835207 /nfs/dbraw/zinc/83/52/07/823835207.db2.gz WLDITBAIHKVTBQ-INIZCTEOSA-N 1 0 381.501 4.045 20 0 GIADRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(-c2cnco2)cc1 ZINC000064521234 823835291 /nfs/dbraw/zinc/83/52/91/823835291.db2.gz XFOHKUAVBBRJAQ-MRXNPFEDSA-N 1 0 381.501 4.045 20 0 GIADRO CC[N@H+](C)Cc1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)c(OC)c1 ZINC000126307731 823835749 /nfs/dbraw/zinc/83/57/49/823835749.db2.gz KCOWSYODZWAVCT-UHFFFAOYSA-N 1 0 396.409 4.183 20 0 GIADRO C[C@H](CC(=O)Nc1ccccc1CN1CCc2ccccc21)C1CC[NH2+]CC1 ZINC000165139926 823836153 /nfs/dbraw/zinc/83/61/53/823836153.db2.gz CFMYWDJVCUSBEE-GOSISDBHSA-N 1 0 377.532 4.214 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1ccccc1CCC(F)(F)F)Cc1ccccc1 ZINC000126318048 823838420 /nfs/dbraw/zinc/83/84/20/823838420.db2.gz RYAANXLPHLOJRJ-SFHVURJKSA-N 1 0 393.453 4.476 20 0 GIADRO CCCN(CC[NH+](CC)CC)C(=O)N[C@H](C)c1nc2ccccc2n1C(F)F ZINC000462129493 823838459 /nfs/dbraw/zinc/83/84/59/823838459.db2.gz FTGSPWBPNLGAGO-OAHLLOKOSA-N 1 0 395.498 4.256 20 0 GIADRO CN(Cc1ccc(Cl)s1)C(=O)C[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000192034020 823838847 /nfs/dbraw/zinc/83/88/47/823838847.db2.gz XXDQHELHYRAPSK-MAUKXSAKSA-N 1 0 399.343 4.133 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1cccc(NC(C)=O)c1C)c1ccsc1 ZINC000126326046 823840753 /nfs/dbraw/zinc/84/07/53/823840753.db2.gz ANLUCDNVNYIJEB-IBGZPJMESA-N 1 0 388.537 4.220 20 0 GIADRO Cc1n[nH]c(C)c1[C@H](C)CC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000126328637 823841224 /nfs/dbraw/zinc/84/12/24/823841224.db2.gz ZNWDQCBMSKOYIO-QGZVFWFLSA-N 1 0 382.552 4.213 20 0 GIADRO Cc1c(Cl)cccc1NC(=O)C[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000192045145 823843006 /nfs/dbraw/zinc/84/30/06/823843006.db2.gz VMDDRYWVVGWQLT-PKOBYXMFSA-N 1 0 379.287 4.360 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)Cc1c(Cl)cccc1Cl ZINC000126338886 823843240 /nfs/dbraw/zinc/84/32/40/823843240.db2.gz INYJNRFKUADFMY-UHFFFAOYSA-N 1 0 392.330 4.306 20 0 GIADRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)c1cc2cc(Cl)sc2[nH]1 ZINC000574852757 823843705 /nfs/dbraw/zinc/84/37/05/823843705.db2.gz DQUGRZBNIXEONZ-UHFFFAOYSA-N 1 0 387.936 4.320 20 0 GIADRO C[C@@H](N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1)c1noc(Cc2ccccc2)n1 ZINC000165346374 823844381 /nfs/dbraw/zinc/84/43/81/823844381.db2.gz RFURGEZOVCLDFR-ZWKOTPCHSA-N 1 0 394.519 4.013 20 0 GIADRO COc1cc(C)c([C@@H](C)[NH2+]C2CCN(Cc3ccc(F)cc3)CC2)cc1OC ZINC000165357025 823845065 /nfs/dbraw/zinc/84/50/65/823845065.db2.gz CEKISIKCYKJIEX-QGZVFWFLSA-N 1 0 386.511 4.467 20 0 GIADRO Fc1ccc(CN2CCC([NH2+]C3CCN(CCc4ccccc4)CC3)CC2)cc1 ZINC000165360435 823845622 /nfs/dbraw/zinc/84/56/22/823845622.db2.gz FUSURYMSGKJBOM-UHFFFAOYSA-N 1 0 395.566 4.087 20 0 GIADRO C[C@@H]([NH2+]C1CCN(Cc2ccc(F)cc2)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000165388644 823846956 /nfs/dbraw/zinc/84/69/56/823846956.db2.gz YSGVUTQPKGCQSX-GOSISDBHSA-N 1 0 395.522 4.268 20 0 GIADRO O=C(Nc1ccc(Oc2ccc(Cl)cc2)nc1)N1CC[NH+](CC2CC2)CC1 ZINC000064564848 823847670 /nfs/dbraw/zinc/84/76/70/823847670.db2.gz AHPVHRMJTQVWTA-UHFFFAOYSA-N 1 0 386.883 4.087 20 0 GIADRO Cc1cccc2c(CCC(=O)N[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C)c[nH]c21 ZINC000462157013 823847791 /nfs/dbraw/zinc/84/77/91/823847791.db2.gz FVZSQNVLEOQWQQ-GCJKJVERSA-N 1 0 375.516 4.046 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@@H](O)c1ccc(Cl)cc1 ZINC000126359321 823848210 /nfs/dbraw/zinc/84/82/10/823848210.db2.gz NHIRDKJEGHNIFO-YVEFUNNKSA-N 1 0 397.302 4.042 20 0 GIADRO COCCSc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)cc1 ZINC000165452802 823849558 /nfs/dbraw/zinc/84/95/58/823849558.db2.gz SDIIYZBKYHYZQD-IAGOWNOFSA-N 1 0 382.533 4.418 20 0 GIADRO COc1ccc(Cc2nc(C)c([C@H](C)[NH2+]CC[C@@H](O)C(C)C)s2)cc1OC ZINC000165459234 823850032 /nfs/dbraw/zinc/85/00/32/823850032.db2.gz AGMAIGABYKXKOQ-WMLDXEAASA-N 1 0 392.565 4.117 20 0 GIADRO COc1ccc([C@H](C)[NH2+]Cc2ccc(OCCOc3ccccc3)nc2)cc1 ZINC000165548104 823852878 /nfs/dbraw/zinc/85/28/78/823852878.db2.gz WIEWKOJTHIMYOD-SFHVURJKSA-N 1 0 378.472 4.399 20 0 GIADRO CC(C)n1cc([C@@H](C)[NH2+]Cc2ccc(OCCOc3ccccc3)nc2)cn1 ZINC000165551655 823853460 /nfs/dbraw/zinc/85/34/60/823853460.db2.gz FYAHFXCMCBSNAS-GOSISDBHSA-N 1 0 380.492 4.168 20 0 GIADRO CSc1cccnc1-c1noc([C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)n1 ZINC000574896489 823854734 /nfs/dbraw/zinc/85/47/34/823854734.db2.gz HCOBYXGHXSCHHD-HNNXBMFYSA-N 1 0 384.480 4.372 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)Cc1ccsc1)c1ccccc1OCC(=O)N1CCCC1 ZINC000165641928 823856380 /nfs/dbraw/zinc/85/63/80/823856380.db2.gz PHRDKIXSLMYPKQ-PXNSSMCTSA-N 1 0 386.561 4.421 20 0 GIADRO COc1cccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCCO[C@@H]2c2ccccc2)c1 ZINC000165635983 823856416 /nfs/dbraw/zinc/85/64/16/823856416.db2.gz CZKWGFFXWJMCKY-WMZHIEFXSA-N 1 0 377.488 4.343 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1occc1COc1ccccc1 ZINC000462180387 823857065 /nfs/dbraw/zinc/85/70/65/823857065.db2.gz HKIQZNZYVDICOX-PGRDOPGGSA-N 1 0 390.483 4.109 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1occc1COc1ccccc1 ZINC000462180386 823857251 /nfs/dbraw/zinc/85/72/51/823857251.db2.gz HKIQZNZYVDICOX-GCJKJVERSA-N 1 0 390.483 4.109 20 0 GIADRO CC[C@@H]([NH2+][C@H](C)c1cc(F)c(F)c(F)c1)c1ccccc1OCC(=O)N(C)C ZINC000165686269 823858817 /nfs/dbraw/zinc/85/88/17/823858817.db2.gz WBOHCZQVOHOOCM-FZKQIMNGSA-N 1 0 394.437 4.373 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccccc1CCC(F)(F)F ZINC000462184604 823858868 /nfs/dbraw/zinc/85/88/68/823858868.db2.gz BCZPCPLZFXCCDS-JXFKEZNVSA-N 1 0 390.449 4.432 20 0 GIADRO O=C(NCCCCCCC[NH+]1CCCC1)c1cnn(-c2ccccc2Cl)c1 ZINC000064672849 823860774 /nfs/dbraw/zinc/86/07/74/823860774.db2.gz AIEQWENWGNLFEE-UHFFFAOYSA-N 1 0 388.943 4.302 20 0 GIADRO C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)C(=O)Nc1cc(F)ccc1F ZINC000192103939 823861161 /nfs/dbraw/zinc/86/11/61/823861161.db2.gz BVYFCPWPNPMGTL-MENVHETRSA-N 1 0 398.812 4.204 20 0 GIADRO CSCc1cc(C(=O)Nc2ccc(OCC[NH+](C)C)cc2F)ccc1F ZINC000413897509 823862351 /nfs/dbraw/zinc/86/23/51/823862351.db2.gz DXFWZYQGHMZDNW-UHFFFAOYSA-N 1 0 380.460 4.021 20 0 GIADRO C[C@@H](CSc1ccccc1)C(=O)Nc1ccc(OCC[NH+](C)C)cc1F ZINC000413899937 823862716 /nfs/dbraw/zinc/86/27/16/823862716.db2.gz JNUMOZFTQVAMST-HNNXBMFYSA-N 1 0 376.497 4.133 20 0 GIADRO Cc1ccc(C(=O)CCCC(=O)Nc2ccc(OCC[NH+](C)C)cc2F)cc1 ZINC000413900027 823862778 /nfs/dbraw/zinc/86/27/78/823862778.db2.gz JUKDKVUGARHZEA-UHFFFAOYSA-N 1 0 386.467 4.066 20 0 GIADRO CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000192108644 823863053 /nfs/dbraw/zinc/86/30/53/823863053.db2.gz FFCPVSAZOBDEOE-LLBUTXAOSA-N 1 0 382.907 4.078 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)C[C@H](c2ccccc2)C(F)(F)F)c(F)c1 ZINC000413901611 823863222 /nfs/dbraw/zinc/86/32/22/823863222.db2.gz MZVODEFPKRBNDR-MRXNPFEDSA-N 1 0 398.400 4.441 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)c2ccccc2N2CCCCC2)c(F)c1 ZINC000413904096 823863772 /nfs/dbraw/zinc/86/37/72/823863772.db2.gz SQJSNASFHNWSMO-UHFFFAOYSA-N 1 0 385.483 4.009 20 0 GIADRO CC(C)Oc1ccc([C@H](CNC(=O)N2CCC[C@@H]2c2ccccn2)[NH+](C)C)cc1 ZINC000574935922 823864093 /nfs/dbraw/zinc/86/40/93/823864093.db2.gz ALLSNMZERREEIZ-YADHBBJMSA-N 1 0 396.535 4.018 20 0 GIADRO CCSCc1ccccc1C(=O)Nc1ccc(OCC[NH+](C)C)cc1F ZINC000413910368 823864743 /nfs/dbraw/zinc/86/47/43/823864743.db2.gz FWNQNNYIKLDKCS-UHFFFAOYSA-N 1 0 376.497 4.272 20 0 GIADRO C[C@@H](Cc1cncc2ccccc21)C(=O)Nc1ccc(OCC[NH+](C)C)cc1F ZINC000413915994 823865001 /nfs/dbraw/zinc/86/50/01/823865001.db2.gz OGLOQIVISLXEBU-INIZCTEOSA-N 1 0 395.478 4.132 20 0 GIADRO Cc1cccc(Br)c1C(=O)Nc1ccc(OCC[NH+](C)C)cc1F ZINC000413915098 823865097 /nfs/dbraw/zinc/86/50/97/823865097.db2.gz NBIJZKRFAFXSAP-UHFFFAOYSA-N 1 0 395.272 4.089 20 0 GIADRO C[C@@H]1CCc2c(C(=O)N(C)CC3CCN(c4cc[nH+]cc4)CC3)csc2C1 ZINC000126431984 823865573 /nfs/dbraw/zinc/86/55/73/823865573.db2.gz PXESMMLHWCTZRB-MRXNPFEDSA-N 1 0 383.561 4.257 20 0 GIADRO COC(=O)CC[N@@H+](Cc1coc(-c2ccc(Br)cc2)n1)CC(C)C ZINC000064694267 823865788 /nfs/dbraw/zinc/86/57/88/823865788.db2.gz FQWFTSHNDMKHBH-UHFFFAOYSA-N 1 0 395.297 4.125 20 0 GIADRO C[C@H](CC(=O)Nc1ccc(OCC[NH+](C)C)cc1F)c1c[nH]c2ccccc21 ZINC000413919555 823866072 /nfs/dbraw/zinc/86/60/72/823866072.db2.gz UFBGHTOEWWCWGJ-OAHLLOKOSA-N 1 0 383.467 4.380 20 0 GIADRO Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192126370 823868921 /nfs/dbraw/zinc/86/89/21/823868921.db2.gz QUGOKMMTRULCBO-YXKWSERDSA-N 1 0 394.849 4.373 20 0 GIADRO CN(Cc1cscc1C(F)(F)F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000574948391 823869100 /nfs/dbraw/zinc/86/91/00/823869100.db2.gz WNWSUOKQLYMKCU-UHFFFAOYSA-N 1 0 383.483 4.301 20 0 GIADRO Cc1c2cc(F)ccc2sc1C(=O)Nc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000064720196 823870571 /nfs/dbraw/zinc/87/05/71/823870571.db2.gz DTKLHOTZWQLSBQ-UHFFFAOYSA-N 1 0 397.519 4.349 20 0 GIADRO FC(F)(F)COc1cc(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)ccn1 ZINC000166155863 823871062 /nfs/dbraw/zinc/87/10/62/823871062.db2.gz LTTVKNUKUATSAZ-AEFFLSMTSA-N 1 0 380.410 4.280 20 0 GIADRO C[C@H]([NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1)c1ccc([S@](C)=O)cc1 ZINC000166176529 823871885 /nfs/dbraw/zinc/87/18/85/823871885.db2.gz XXPJQFQXTJCSNZ-KUNJGFBQSA-N 1 0 392.515 4.017 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)c1ccc(F)c(Br)c1 ZINC000462209051 823872195 /nfs/dbraw/zinc/87/21/95/823872195.db2.gz NPJRNBXUVYKDAN-IMJJTQAJSA-N 1 0 397.332 4.167 20 0 GIADRO C[C@H]1C[C@H](c2ccccc2)[N@H+](Cc2ccccc2OCC(=O)N2CCCC2)C1 ZINC000574962416 823873412 /nfs/dbraw/zinc/87/34/12/823873412.db2.gz RWTOSSHBOTWPLA-SIKLNZKXSA-N 1 0 378.516 4.271 20 0 GIADRO CC[C@@H](Cc1ccccc1Br)[NH2+]Cc1cc(OC)c(O)c(OC)c1 ZINC000574963106 823873473 /nfs/dbraw/zinc/87/34/73/823873473.db2.gz ZWQASLLNMUZDRL-HNNXBMFYSA-N 1 0 394.309 4.283 20 0 GIADRO O=C1CCCCN1c1ccc(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)cc1 ZINC000166275939 823873854 /nfs/dbraw/zinc/87/38/54/823873854.db2.gz SJTQZZGILCCNPJ-OFNKIYASSA-N 1 0 378.516 4.461 20 0 GIADRO C[C@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)[N@@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000126465985 823875229 /nfs/dbraw/zinc/87/52/29/823875229.db2.gz PLVZESTVAFENPE-VXGBXAGGSA-N 1 0 397.306 4.082 20 0 GIADRO CSc1ncc(C(=O)N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)n1-c1ccccc1 ZINC000064735270 823875271 /nfs/dbraw/zinc/87/52/71/823875271.db2.gz IHPKQSIYQGUNIE-SCTDSRPQSA-N 1 0 398.576 4.072 20 0 GIADRO C[NH+](C)Cc1ccsc1C(=O)NCc1cc(Cl)cc(Br)c1 ZINC000413949295 823875263 /nfs/dbraw/zinc/87/52/63/823875263.db2.gz YBVGGCJFTWFGAX-UHFFFAOYSA-N 1 0 387.730 4.156 20 0 GIADRO Cc1ccc(-c2nc(C)c(C(=O)N3CCC[C@@H]([N@H+]4[C@H](C)CC[C@@H]4C)C3)s2)o1 ZINC000064735746 823875742 /nfs/dbraw/zinc/87/57/42/823875742.db2.gz LNRPWZZKUABTHY-JKIFEVAISA-N 1 0 387.549 4.497 20 0 GIADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2ccnc(OCc3ccccc3)c2)C1 ZINC000064736042 823875776 /nfs/dbraw/zinc/87/57/76/823875776.db2.gz KGHSSMUOIKWHQU-XQBPLPMBSA-N 1 0 393.531 4.138 20 0 GIADRO C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)C(=O)Nc1cc(Cl)ccc1F ZINC000192139958 823876183 /nfs/dbraw/zinc/87/61/83/823876183.db2.gz RMEWJCAWXKOABN-MENVHETRSA-N 1 0 398.812 4.204 20 0 GIADRO CCCc1c(C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)cnn1Cc1ccccc1 ZINC000064739036 823876932 /nfs/dbraw/zinc/87/69/32/823876932.db2.gz HMFMUDBGHWUBFC-UHFFFAOYSA-N 1 0 396.579 4.076 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)c2cnc(-c3ccccc3F)s2)CC1 ZINC000064739275 823877240 /nfs/dbraw/zinc/87/72/40/823877240.db2.gz HXKJZIJWFWJKNX-UHFFFAOYSA-N 1 0 375.513 4.142 20 0 GIADRO COc1ccccc1-c1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3cnn(C)c3)C2)cc1 ZINC000166508439 823879123 /nfs/dbraw/zinc/87/91/23/823879123.db2.gz OOEJOIYYPABANH-NQIIRXRSSA-N 1 0 390.531 4.415 20 0 GIADRO COc1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@H]2c4ccccc4C[C@@H]2O)CCC3)cc1 ZINC000166614761 823880204 /nfs/dbraw/zinc/88/02/04/823880204.db2.gz XSRYLSJYDUBGSB-JBACZVJFSA-N 1 0 392.524 4.444 20 0 GIADRO C[C@H]([NH2+][C@H]1c2ccccc2C[C@@H]1O)c1ccc(OC(F)F)cc1OC(F)F ZINC000166635052 823880591 /nfs/dbraw/zinc/88/05/91/823880591.db2.gz FVZGIBQQAFSVJM-QXKQMHMISA-N 1 0 385.357 4.198 20 0 GIADRO C[C@H]([NH2+]C[C@@H]1CC2(CCC2)C(=O)O1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000192149658 823881066 /nfs/dbraw/zinc/88/10/66/823881066.db2.gz SVOHFHIQBHRQLD-JXFKEZNVSA-N 1 0 378.472 4.075 20 0 GIADRO CCOc1ccc(NC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)c(C)c1 ZINC000126488433 823881916 /nfs/dbraw/zinc/88/19/16/823881916.db2.gz GWTLSWGDGNRXOP-UHFFFAOYSA-N 1 0 382.508 4.098 20 0 GIADRO C[C@H]([NH2+]C[C@@H]1CC2(CCC2)C(=O)O1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000192152864 823882321 /nfs/dbraw/zinc/88/23/21/823882321.db2.gz FCHOTTXJGNDHIP-YWZLYKJASA-N 1 0 396.462 4.214 20 0 GIADRO FC(F)(F)CN1CCC(CC[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000166774647 823882596 /nfs/dbraw/zinc/88/25/96/823882596.db2.gz JMPMWLUOLUEMCY-QUCCMNQESA-N 1 0 384.486 4.408 20 0 GIADRO c1cn(CCc2ccccc2)c(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)n1 ZINC000166801937 823883083 /nfs/dbraw/zinc/88/30/83/823883083.db2.gz VOGLQZFFWOLJPQ-GGAORHGYSA-N 1 0 375.516 4.383 20 0 GIADRO CCc1noc(CC)c1C[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000166929528 823884518 /nfs/dbraw/zinc/88/45/18/823884518.db2.gz YBVLBXMAYRCLFT-GFCCVEGCSA-N 1 0 394.313 4.069 20 0 GIADRO C[C@H](c1ccccc1F)N1CCC[C@@H](NCc2coc(-c3ccccc3)n2)C1=O ZINC000575006373 823885187 /nfs/dbraw/zinc/88/51/87/823885187.db2.gz YQSLPQSMZQXMJO-IIBYNOLFSA-N 1 0 393.462 4.323 20 0 GIADRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3ccc(-n4ccnc4)cc3C)ccc2NC1=O ZINC000192159777 823885315 /nfs/dbraw/zinc/88/53/15/823885315.db2.gz LGWROGFYULNDSO-IERDGZPVSA-N 1 0 390.487 4.141 20 0 GIADRO c1cncc(COc2ccc(C[NH+]3CCC(c4noc(C5CC5)n4)CC3)cc2)c1 ZINC000462233407 823886284 /nfs/dbraw/zinc/88/62/84/823886284.db2.gz PYVMCHCIVRRDSZ-UHFFFAOYSA-N 1 0 390.487 4.301 20 0 GIADRO Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000167124354 823886288 /nfs/dbraw/zinc/88/62/88/823886288.db2.gz WROKSLPLFMDTQV-SFHVURJKSA-N 1 0 396.579 4.426 20 0 GIADRO O=C(C[N@@H+]1CCC[C@@H]1c1cccc2ccccc21)N1CCO[C@@H]2CCCC[C@H]21 ZINC000064791935 823887171 /nfs/dbraw/zinc/88/71/71/823887171.db2.gz HPZWAHSJOPDBNT-DNVJHFABSA-N 1 0 378.516 4.147 20 0 GIADRO Cc1cc(Cl)c2c(c1)[C@H]([NH2+]C1CCN(C(=O)c3ccco3)CC1)CCCO2 ZINC000126507690 823887175 /nfs/dbraw/zinc/88/71/75/823887175.db2.gz DEWOEXPDNRDUJG-GOSISDBHSA-N 1 0 388.895 4.350 20 0 GIADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2cccc(OCc3cccnc3)c2)C1 ZINC000064801058 823887744 /nfs/dbraw/zinc/88/77/44/823887744.db2.gz DAKCEPWNRKSUIV-RTBURBONSA-N 1 0 395.547 4.147 20 0 GIADRO CCC(CC)[N@H+](CCOC)CC(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000064806328 823888537 /nfs/dbraw/zinc/88/85/37/823888537.db2.gz UEVPJESSARQRNB-UHFFFAOYSA-N 1 0 379.501 4.025 20 0 GIADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)c1ccnc(OCc2ccccc2)c1)c1ccco1 ZINC000575016273 823888872 /nfs/dbraw/zinc/88/88/72/823888872.db2.gz KSPNZXFFJLVPGF-PXNSSMCTSA-N 1 0 393.487 4.113 20 0 GIADRO Cc1cc(Cl)c2c(c1)[C@H]([NH2+]C1CCN(C(=O)c3ccoc3)CC1)CCCO2 ZINC000126516994 823889069 /nfs/dbraw/zinc/88/90/69/823889069.db2.gz URWZQYGRQHZJMY-LJQANCHMSA-N 1 0 388.895 4.350 20 0 GIADRO C[C@@H]([NH2+]CCc1nnc2n1CCCCC2)c1cccc(OCc2ccccc2)c1 ZINC000126515999 823889105 /nfs/dbraw/zinc/88/91/05/823889105.db2.gz WETFNTXAVJDGJM-LJQANCHMSA-N 1 0 390.531 4.477 20 0 GIADRO CC(C)[C@@H](NC(=O)C[N@H+](C1CC1)C1CCCC1)c1ccc2c(c1)OCCCO2 ZINC000064808995 823889820 /nfs/dbraw/zinc/88/98/20/823889820.db2.gz RNDSLIHTQZDJMV-HSZRJFAPSA-N 1 0 386.536 4.068 20 0 GIADRO Cc1cccc2c1CC[C@H]2[NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1 ZINC000167318059 823890349 /nfs/dbraw/zinc/89/03/49/823890349.db2.gz FXJVPOZJNXJFRC-HSZRJFAPSA-N 1 0 386.499 4.489 20 0 GIADRO CCN(CC)C(=O)CCC1CC[NH+](Cc2ccc(-n3ccnc3)cc2C)CC1 ZINC000192173185 823891117 /nfs/dbraw/zinc/89/11/17/823891117.db2.gz MXRZNUFUTSXBHG-UHFFFAOYSA-N 1 0 382.552 4.041 20 0 GIADRO CCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2sc(-c3ccc(Cl)cc3)nc2C)C1 ZINC000126528308 823891481 /nfs/dbraw/zinc/89/14/81/823891481.db2.gz ABAMIEXCUFAABC-BLLLJJGKSA-N 1 0 377.941 4.433 20 0 GIADRO COc1cc(CN2CC[C@H]([NH2+][C@@H](CC(C)C)c3ccccn3)C2)cc(OC)c1 ZINC000167530117 823893107 /nfs/dbraw/zinc/89/31/07/823893107.db2.gz ZOHLPDJKFJWNHL-CVDCTZTESA-N 1 0 383.536 4.050 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1cccc(COCC2CC2)c1 ZINC000462244953 823893883 /nfs/dbraw/zinc/89/38/83/823893883.db2.gz INRPLMVKQQXXQA-JPYJTQIMSA-N 1 0 393.531 4.255 20 0 GIADRO CN(C)C(=O)c1cccc(CC[NH2+]Cc2ccc(Br)c(Cl)c2)c1 ZINC000192180081 823894287 /nfs/dbraw/zinc/89/42/87/823894287.db2.gz KRKSOOCHYIVIAF-UHFFFAOYSA-N 1 0 395.728 4.137 20 0 GIADRO C[C@@H]([NH2+]C1(CNC(=O)c2cccc3c2CC(=O)CC3)CCCC1)c1ccccc1 ZINC000575032575 823894837 /nfs/dbraw/zinc/89/48/37/823894837.db2.gz RNSZJPPZVHGUBG-GOSISDBHSA-N 1 0 390.527 4.138 20 0 GIADRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]C[C@H]3CC4(CCC4)C(=O)O3)s2)cc1 ZINC000192182938 823894833 /nfs/dbraw/zinc/89/48/33/823894833.db2.gz GPRIRCAJJJTFCO-SUMWQHHRSA-N 1 0 386.517 4.264 20 0 GIADRO C[C@@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1csc(-c2ccccc2)n1 ZINC000414056843 823896918 /nfs/dbraw/zinc/89/69/18/823896918.db2.gz DWXDWQNCCVHRSC-OAHLLOKOSA-N 1 0 381.501 4.359 20 0 GIADRO C[C@H](CC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2)c1ccc(C(F)(F)F)cc1 ZINC000575039043 823896998 /nfs/dbraw/zinc/89/69/98/823896998.db2.gz NROIEJUDPNYHSJ-WBMJQRKESA-N 1 0 377.410 4.049 20 0 GIADRO COc1ccc([C@@H](C)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)cc1NC(C)=O ZINC000167869780 823897739 /nfs/dbraw/zinc/89/77/39/823897739.db2.gz NVKMLIJZSRAJIO-SJORKVTESA-N 1 0 383.536 4.434 20 0 GIADRO OCC1([C@H]([NH2+]Cc2cnc(C3CCCCC3)s2)C2CCOCC2)CCC1 ZINC000575041522 823898096 /nfs/dbraw/zinc/89/80/96/823898096.db2.gz LHYQFXCOHVUNHY-LJQANCHMSA-N 1 0 378.582 4.238 20 0 GIADRO COC(=O)c1cnc([C@@H](C)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)s1 ZINC000414065020 823899224 /nfs/dbraw/zinc/89/92/24/823899224.db2.gz OCEWHRRFAKLXNE-JKSUJKDBSA-N 1 0 387.549 4.012 20 0 GIADRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](c1ccccc1)c1cccc(Br)c1)CC2 ZINC000414066768 823899834 /nfs/dbraw/zinc/89/98/34/823899834.db2.gz HOEACGYONQBUBL-AZUAARDMSA-N 1 0 397.320 4.043 20 0 GIADRO COc1ccc(C[C@H]([NH2+][C@H](C)c2cc3n(n2)CCC3)c2ccccc2)cc1OC ZINC000414068737 823900115 /nfs/dbraw/zinc/90/01/15/823900115.db2.gz IRIFHMSYDUYLOG-VGSWGCGISA-N 1 0 391.515 4.481 20 0 GIADRO Cc1c(C(=O)Nc2cccc3c2OCC[C@H]3[NH+](C)C)cnn1-c1cccc(C)c1 ZINC000575055616 823900813 /nfs/dbraw/zinc/90/08/13/823900813.db2.gz ZRKZOJFPHMVXDU-OAQYLSRUSA-N 1 0 390.487 4.127 20 0 GIADRO COC(=O)c1cnc([C@H](C)[NH2+]C[C@@H](C)CSc2ccccc2OC)s1 ZINC000414070488 823900836 /nfs/dbraw/zinc/90/08/36/823900836.db2.gz CHVNRTFWEXBGDJ-OLZOCXBDSA-N 1 0 380.535 4.017 20 0 GIADRO O[C@@H](C[NH2+]Cc1ccc(OC(F)F)c(F)c1)c1ccc(OC(F)(F)F)cc1 ZINC000168195728 823900892 /nfs/dbraw/zinc/90/08/92/823900892.db2.gz USUQAKQLKVFARC-AWEZNQCLSA-N 1 0 395.299 4.149 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@H]2CCN(c3ncccc3F)C2)ccc1SC(F)F ZINC000168216188 823901184 /nfs/dbraw/zinc/90/11/84/823901184.db2.gz BBAPPSZNVOXCGR-JSGCOSHPSA-N 1 0 397.466 4.474 20 0 GIADRO FC(F)(F)CN1CC[C@H](C[NH2+]Cc2ccc(Cl)cc2Br)C1 ZINC000126570586 823901631 /nfs/dbraw/zinc/90/16/31/823901631.db2.gz OPMDLLHJJGPLSN-SNVBAGLBSA-N 1 0 385.655 4.076 20 0 GIADRO C[C@H](CC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccc(F)c(Br)c1 ZINC000462257667 823901987 /nfs/dbraw/zinc/90/19/87/823901987.db2.gz QGNACBVFWHNLMB-XUWXXGDYSA-N 1 0 397.332 4.025 20 0 GIADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@H](C)c1cccc(N2CCCC2)c1 ZINC000168332264 823902152 /nfs/dbraw/zinc/90/21/52/823902152.db2.gz MOVGWOUJVXZGSR-HZPDHXFCSA-N 1 0 386.927 4.403 20 0 GIADRO O=C([C@@H]([NH2+]C1CCN(c2cccs2)CC1)c1ccccc1)N1CCCCC1 ZINC000126571288 823902168 /nfs/dbraw/zinc/90/21/68/823902168.db2.gz QCVOHEOOOBVKPV-NRFANRHFSA-N 1 0 383.561 4.060 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)c(C)c1 ZINC000414074659 823902328 /nfs/dbraw/zinc/90/23/28/823902328.db2.gz OFONYBFXDPPEQA-QGZVFWFLSA-N 1 0 378.472 4.377 20 0 GIADRO CN1CC[C@H]([NH2+]Cc2nc(C(F)(F)F)cs2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000575067690 823903095 /nfs/dbraw/zinc/90/30/95/823903095.db2.gz CQASRNPQYZWMTK-SWLSCSKDSA-N 1 0 393.837 4.489 20 0 GIADRO CC(=O)N1CCC([NH2+][C@H](C)c2nc(-c3ccc(Cl)cc3)c(C)s2)CC1 ZINC000168584637 823904345 /nfs/dbraw/zinc/90/43/45/823904345.db2.gz QPOMUGIXPGASPA-GFCCVEGCSA-N 1 0 377.941 4.433 20 0 GIADRO O=C(c1ccco1)N1CCC([NH2+][C@@H](c2ccccc2)c2cccc(F)c2)CC1 ZINC000168566134 823904354 /nfs/dbraw/zinc/90/43/54/823904354.db2.gz VQCQMMLYBMKJTO-QFIPXVFZSA-N 1 0 378.447 4.403 20 0 GIADRO C[C@H](C(=O)Nc1cccc(CN(C)Cc2cscn2)c1)[C@H]([NH3+])c1ccccc1 ZINC000168581561 823904452 /nfs/dbraw/zinc/90/44/52/823904452.db2.gz OZEAUVPLLAVRQB-KKSFZXQISA-N 1 0 394.544 4.050 20 0 GIADRO C[C@H](C(=O)Nc1cccc(CN(C)Cc2cscn2)c1)[C@@H]([NH3+])c1ccccc1 ZINC000168581757 823904630 /nfs/dbraw/zinc/90/46/30/823904630.db2.gz OZEAUVPLLAVRQB-HRAATJIYSA-N 1 0 394.544 4.050 20 0 GIADRO CC(C)OCc1cccc(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000462264352 823905343 /nfs/dbraw/zinc/90/53/43/823905343.db2.gz XESVIVGIEOWIRE-PGRDOPGGSA-N 1 0 381.520 4.254 20 0 GIADRO C[C@H](C(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1)[C@H]1OCCc2sccc21 ZINC000575077951 823905355 /nfs/dbraw/zinc/90/53/55/823905355.db2.gz XBPQKFVDUXRYTP-KGVIQGDOSA-N 1 0 398.572 4.121 20 0 GIADRO Cc1nc2ccccc2n1Cc1cc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)ccc1Cl ZINC000168671872 823905537 /nfs/dbraw/zinc/90/55/37/823905537.db2.gz SJNMIFOVQJZAPG-ZBFHGGJFSA-N 1 0 382.895 4.112 20 0 GIADRO CCOc1cccc(C[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)c1OC(F)F ZINC000168639505 823905797 /nfs/dbraw/zinc/90/57/97/823905797.db2.gz BVEHJKPWCRMMKZ-SRGMZFCMSA-N 1 0 383.460 4.275 20 0 GIADRO CCOc1cc(C[NH2+][C@@H](C)c2ccc(OC)c(Cn3cccn3)c2)ccc1OC ZINC000168840091 823906595 /nfs/dbraw/zinc/90/65/95/823906595.db2.gz DQKZCMURCIWNMZ-KRWDZBQOSA-N 1 0 395.503 4.198 20 0 GIADRO O=C(Nc1cccc(F)c1F)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000168837400 823906961 /nfs/dbraw/zinc/90/69/61/823906961.db2.gz FIKIYZZCJOXXGU-XLIONFOSSA-N 1 0 385.458 4.483 20 0 GIADRO C[C@H](CC[NH2+][C@H](c1ccccc1)c1cccc(Br)c1)[S@@](C)=O ZINC000414099839 823909077 /nfs/dbraw/zinc/90/90/77/823909077.db2.gz VBWIDVLPMUHNLT-JPEVHGAISA-N 1 0 380.351 4.285 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc(-c2nccs2)cc1 ZINC000462274270 823909281 /nfs/dbraw/zinc/90/92/81/823909281.db2.gz UOGZVCZBGJHRQJ-JXFKEZNVSA-N 1 0 392.528 4.452 20 0 GIADRO COCCC[C@@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1ccc(Br)cc1 ZINC000169141966 823909216 /nfs/dbraw/zinc/90/92/16/823909216.db2.gz JQMNKVNSQVFBLJ-WOJBJXKFSA-N 1 0 392.337 4.414 20 0 GIADRO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1csc(-c2ccccc2)n1 ZINC000414105335 823910708 /nfs/dbraw/zinc/91/07/08/823910708.db2.gz GODCFBPQYHPKEY-UWJYYQICSA-N 1 0 393.556 4.228 20 0 GIADRO CC[C@H]([NH2+][C@H](c1ccc(OC)cc1)c1cccc(S(C)(=O)=O)c1)[C@H]1C[C@@H]1C ZINC000414108869 823911844 /nfs/dbraw/zinc/91/18/44/823911844.db2.gz KESHMTLRWGUWJM-NUXXPKPISA-N 1 0 387.545 4.212 20 0 GIADRO C[C@H]([NH2+]C1CCN(C(=O)CC(F)(F)F)CC1)c1csc(-c2ccccc2)n1 ZINC000414107557 823911988 /nfs/dbraw/zinc/91/19/88/823911988.db2.gz ZATDCIAEEMWARG-ZDUSSCGKSA-N 1 0 397.466 4.404 20 0 GIADRO c1nc(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)sc1-c1ccccc1 ZINC000126616464 823912195 /nfs/dbraw/zinc/91/21/95/823912195.db2.gz ONLRIEZWQLELLM-KRWDZBQOSA-N 1 0 375.501 4.232 20 0 GIADRO O=C1C[C@H]([N@@H+]2CC[C@@H](Cc3ccccc3)C2)C(=O)N1c1cccc2ccccc21 ZINC000462285609 823912897 /nfs/dbraw/zinc/91/28/97/823912897.db2.gz BXQMDEWHPIHMSO-CVDCTZTESA-N 1 0 384.479 4.036 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(F)c(F)c1)c1csc(-c2ccccc2)n1 ZINC000414115591 823913114 /nfs/dbraw/zinc/91/31/14/823913114.db2.gz NEQVZFUQPNZKRC-UKRRQHHQSA-N 1 0 390.455 4.179 20 0 GIADRO O=C1CC[C@@H]([NH2+]CCc2cccc(Br)c2)c2cc(F)ccc2N1 ZINC000414120190 823913786 /nfs/dbraw/zinc/91/37/86/823913786.db2.gz BAIYMBMJXILZST-MRXNPFEDSA-N 1 0 377.257 4.194 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CCC(=O)Nc2cc(Cl)ccc2OC)c(C)c1 ZINC000414118642 823913964 /nfs/dbraw/zinc/91/39/64/823913964.db2.gz VOEYAQJONNLPQD-AWEZNQCLSA-N 1 0 376.884 4.345 20 0 GIADRO CS(=O)(=O)Cc1ccccc1C[NH2+][C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000414119506 823913970 /nfs/dbraw/zinc/91/39/70/823913970.db2.gz WMZAZGZGUOIUDG-OXQOHEQNSA-N 1 0 377.937 4.311 20 0 GIADRO O=C(CC[NH+]1CCC(c2nnc3ccccn32)CC1)Nc1cccc2ccccc21 ZINC000126625494 823914212 /nfs/dbraw/zinc/91/42/12/823914212.db2.gz MIKSDYBKZKCLQP-UHFFFAOYSA-N 1 0 399.498 4.091 20 0 GIADRO Cc1ccc(COc2ccc(C[C@@H](C)[NH2+]Cc3cn(C(C)C)nn3)cc2)cc1 ZINC000575112221 823915150 /nfs/dbraw/zinc/91/51/50/823915150.db2.gz HDHJXPJHCDLGCU-LJQANCHMSA-N 1 0 378.520 4.467 20 0 GIADRO Cc1c([C@H](C)[NH2+]CCc2cn(C)cn2)cnn1-c1ccc(Cl)cc1Cl ZINC000414128110 823915466 /nfs/dbraw/zinc/91/54/66/823915466.db2.gz QZKCVOQRVHBVQH-LBPRGKRZSA-N 1 0 378.307 4.114 20 0 GIADRO CC(C)(C)O[C@H]1C[C@@H]([NH2+]Cc2cccc(COC3CCOCC3)c2)C1(C)C ZINC000414130312 823915852 /nfs/dbraw/zinc/91/58/52/823915852.db2.gz WHUJAHZVOKBGMQ-RTWAWAEBSA-N 1 0 375.553 4.454 20 0 GIADRO CC(C)(C)C[C@H]([NH2+]Cc1cc(C(N)=O)co1)c1ccc(Br)cc1 ZINC000414128589 823915911 /nfs/dbraw/zinc/91/59/11/823915911.db2.gz HGLAJKYIYOCHOK-INIZCTEOSA-N 1 0 379.298 4.408 20 0 GIADRO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1Cl ZINC000462300784 823916427 /nfs/dbraw/zinc/91/64/27/823916427.db2.gz JUZRZDAFZZADDT-KDOFPFPSSA-N 1 0 398.981 4.071 20 0 GIADRO C[C@H](NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)c1ccn(C)n1 ZINC000414130828 823916337 /nfs/dbraw/zinc/91/63/37/823916337.db2.gz WXWYYFMASBNFAO-ZSZQSSIHSA-N 1 0 380.458 4.173 20 0 GIADRO C[NH+](C)C[C@H]1CCN(C(=O)N[C@@H](Cc2ccccc2C(F)(F)F)C(C)(C)C)C1 ZINC000462305459 823918064 /nfs/dbraw/zinc/91/80/64/823918064.db2.gz KGAYPHXXOULTNJ-QAPCUYQASA-N 1 0 399.501 4.256 20 0 GIADRO C[NH+](C)C[C@H]1CCN(C(=O)N[C@H](Cc2ccccc2C(F)(F)F)C(C)(C)C)C1 ZINC000462305457 823918080 /nfs/dbraw/zinc/91/80/80/823918080.db2.gz KGAYPHXXOULTNJ-CRAIPNDOSA-N 1 0 399.501 4.256 20 0 GIADRO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+](CCOc2cccc3ccccc32)C1 ZINC000064954504 823918275 /nfs/dbraw/zinc/91/82/75/823918275.db2.gz ONBHZLMLYRFMDX-GOSISDBHSA-N 1 0 384.520 4.455 20 0 GIADRO O=C1c2ccccc2NC2(CC[NH+](CCC(F)(F)F)CC2)N1Cc1ccco1 ZINC000414162319 823921057 /nfs/dbraw/zinc/92/10/57/823921057.db2.gz GZEYUDUNYKOTQK-UHFFFAOYSA-N 1 0 393.409 4.092 20 0 GIADRO Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3csc(-c4ccccc4)n3)C2)n(C)n1 ZINC000414160591 823921105 /nfs/dbraw/zinc/92/11/05/823921105.db2.gz ZRMZLDZIMAPISY-WMZOPIPTSA-N 1 0 381.549 4.172 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)NC2(c3ccc(Br)cc3)CC2)c1 ZINC000126660791 823921488 /nfs/dbraw/zinc/92/14/88/823921488.db2.gz GMDBBBOADPYHQU-UHFFFAOYSA-N 1 0 388.309 4.322 20 0 GIADRO COc1ccc([C@H]2CCCCCN2C(=O)NCc2ccc3c[nH+]cn3c2)cc1 ZINC000575146509 823922822 /nfs/dbraw/zinc/92/28/22/823922822.db2.gz IPZHYSWPVRQHHW-OAQYLSRUSA-N 1 0 378.476 4.170 20 0 GIADRO COc1cc(N[C@H](C)c2ccc(OCC[NH+](C)C)cc2)cc(OC)c1Cl ZINC000414180341 823923747 /nfs/dbraw/zinc/92/37/47/823923747.db2.gz LXWGWILRLUSUOF-CQSZACIVSA-N 1 0 378.900 4.471 20 0 GIADRO CC(C)c1nc(C2CCN(C(=O)c3cccc(C[NH+]4CCCCC4)c3)CC2)no1 ZINC000575149761 823923933 /nfs/dbraw/zinc/92/39/33/823923933.db2.gz WTAQCXOCCDIGLM-UHFFFAOYSA-N 1 0 396.535 4.199 20 0 GIADRO CC(C)(C)NS(=O)(=O)c1ccccc1C[NH2+]Cc1ccc2ccccc2c1 ZINC000065013875 823924119 /nfs/dbraw/zinc/92/41/19/823924119.db2.gz ONFUTNCQEBBSHC-UHFFFAOYSA-N 1 0 382.529 4.206 20 0 GIADRO COc1ccc([C@@H](CO)C[NH2+][C@H](C)c2ccc(OCC(F)(F)F)cc2)cc1 ZINC000414186261 823924216 /nfs/dbraw/zinc/92/42/16/823924216.db2.gz PMUTULQPUMLDKM-RHSMWYFYSA-N 1 0 383.410 4.063 20 0 GIADRO COc1ccc([C@@H](CO)C[NH2+][C@@H](Cc2cccnc2)c2cccc(Cl)c2)cc1 ZINC000414184652 823924482 /nfs/dbraw/zinc/92/44/82/823924482.db2.gz ODYRRULWEMVDAE-OFNKIYASSA-N 1 0 396.918 4.393 20 0 GIADRO Cc1cc(Cl)ccc1S(=O)(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000462326028 823925556 /nfs/dbraw/zinc/92/55/56/823925556.db2.gz JHMSDPCOQYPGCT-KBXCAEBGSA-N 1 0 398.981 4.071 20 0 GIADRO C[N@H+](CCCCCc1cc(-c2ccccc2)no1)Cc1ccc(C(N)=O)cc1 ZINC000170648623 823926158 /nfs/dbraw/zinc/92/61/58/823926158.db2.gz HQRYRXYKKUBOOK-UHFFFAOYSA-N 1 0 377.488 4.285 20 0 GIADRO C[N@H+](CCCCCc1cc(-c2ccccc2)no1)Cc1cn2cccnc2n1 ZINC000170648607 823926253 /nfs/dbraw/zinc/92/62/53/823926253.db2.gz UNCKKEMZOJHFTK-UHFFFAOYSA-N 1 0 375.476 4.229 20 0 GIADRO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000170647741 823926851 /nfs/dbraw/zinc/92/68/51/823926851.db2.gz YSWVCTRHZNLXLV-AWEZNQCLSA-N 1 0 391.899 4.342 20 0 GIADRO OC[C@@]1(Cc2ccc(F)cc2)CC[N@H+](Cc2ccccc2Br)C1 ZINC000575159285 823926841 /nfs/dbraw/zinc/92/68/41/823926841.db2.gz UXTWKIGRKYYBHR-LJQANCHMSA-N 1 0 378.285 4.015 20 0 GIADRO COc1ccc([C@H](CO)C[NH2+][C@H](C)c2ccc(F)cc2Br)cc1 ZINC000414198981 823927009 /nfs/dbraw/zinc/92/70/09/823927009.db2.gz XATGYHFWWMXYCL-OCCSQVGLSA-N 1 0 382.273 4.024 20 0 GIADRO CCC[N@H+](Cc1cc(-c2ccco2)on1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000170652461 823927075 /nfs/dbraw/zinc/92/70/75/823927075.db2.gz WJNGJLBVNAEELL-UHFFFAOYSA-N 1 0 393.487 4.451 20 0 GIADRO COc1ccc([C@@H](CO)C[NH2+][C@@H](C)c2ccc(F)c(Br)c2)cc1 ZINC000414201765 823927659 /nfs/dbraw/zinc/92/76/59/823927659.db2.gz YQZJSXXNGDSIIX-SWLSCSKDSA-N 1 0 382.273 4.024 20 0 GIADRO Cc1[nH]c2ccc(CNC(=O)NCCC[N@@H+](C)Cc3ccccc3)cc2c1C ZINC000065031278 823927609 /nfs/dbraw/zinc/92/76/09/823927609.db2.gz LSMYLVKWWYCAFH-UHFFFAOYSA-N 1 0 378.520 4.106 20 0 GIADRO COc1ccc([C@H](CO)C[NH2+][C@@H](c2ccc(Br)s2)C2CC2)cc1 ZINC000414201179 823927688 /nfs/dbraw/zinc/92/76/88/823927688.db2.gz YFYJSBFBJPZNAV-KBXCAEBGSA-N 1 0 396.350 4.336 20 0 GIADRO O=C1C[C@H](C[NH2+][C@H](c2ccc(Cl)cc2)c2ccc(C(F)(F)F)cc2)CN1 ZINC000414204432 823928189 /nfs/dbraw/zinc/92/81/89/823928189.db2.gz OFTVFSOETIMJNB-SGTLLEGYSA-N 1 0 382.813 4.174 20 0 GIADRO Cc1cccc(C2(C(=O)N(C)C3CC[NH+](C4CCOCC4)CC3)CCCCC2)c1 ZINC000065037806 823928502 /nfs/dbraw/zinc/92/85/02/823928502.db2.gz CMKQXSYHJZCTRE-UHFFFAOYSA-N 1 0 398.591 4.299 20 0 GIADRO CCc1ccc([C@H]([NH2+]C[C@H](C)CCOC)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000414208508 823928959 /nfs/dbraw/zinc/92/89/59/823928959.db2.gz RQBYADNHTHZMFI-VGSWGCGISA-N 1 0 389.561 4.004 20 0 GIADRO Cc1ccc(C[NH2+][C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)c2ccccc12 ZINC000414211436 823929762 /nfs/dbraw/zinc/92/97/62/823929762.db2.gz OMWALUUQVXJOAT-QGZVFWFLSA-N 1 0 382.529 4.249 20 0 GIADRO CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)c2ccccc21 ZINC000575180427 823932952 /nfs/dbraw/zinc/93/29/52/823932952.db2.gz VGYAFLMFMQNKCY-FYYLOGMGSA-N 1 0 389.543 4.271 20 0 GIADRO CSc1ccc([C@H](C[NH2+]Cc2cocn2)N2CCc3sccc3C2)cc1 ZINC000192286989 823933966 /nfs/dbraw/zinc/93/39/66/823933966.db2.gz JKAADQUZBYDOKV-IBGZPJMESA-N 1 0 385.558 4.347 20 0 GIADRO CCCCOc1ccc([C@H](C)[NH2+]CCc2nnc3n2CCCCC3)cc1OC ZINC000126715582 823934379 /nfs/dbraw/zinc/93/43/79/823934379.db2.gz SKCPJCYMGWCTCJ-KRWDZBQOSA-N 1 0 386.540 4.085 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCC1)N[C@H](c1ccccc1)[C@@H]1CCCO1 ZINC000170676710 823934613 /nfs/dbraw/zinc/93/46/13/823934613.db2.gz KPFHONZKDVVCGF-XZOQPEGZSA-N 1 0 393.531 4.002 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N[C@H](c1ccccc1)[C@H]1CCCO1 ZINC000170676340 823934617 /nfs/dbraw/zinc/93/46/17/823934617.db2.gz JZIKCHKDQHWFOH-DHIUTWEWSA-N 1 0 393.531 4.002 20 0 GIADRO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H](Cc2ccccc2)c2ccc(OC)cc2)C1 ZINC000462349253 823935243 /nfs/dbraw/zinc/93/52/43/823935243.db2.gz RCPJJUZFCKWVMW-GGAORHGYSA-N 1 0 395.547 4.105 20 0 GIADRO CS(=O)(=O)c1ccccc1C[NH2+]C1CC(c2ccc(C(F)(F)F)cc2)C1 ZINC000414235878 823935477 /nfs/dbraw/zinc/93/54/77/823935477.db2.gz HMVNCJLMPQAJST-UHFFFAOYSA-N 1 0 383.435 4.145 20 0 GIADRO C[NH+](C)CC[C@H](NC(=O)Nc1c(F)cc(F)cc1Br)C(C)(C)C ZINC000192290673 823935931 /nfs/dbraw/zinc/93/59/31/823935931.db2.gz OGLXFXQKPYCANR-ZDUSSCGKSA-N 1 0 392.288 4.215 20 0 GIADRO CC[C@@H](CSc1ccc(Cl)cc1)[NH2+]CCc1nnc2n1CCCCC2 ZINC000126724347 823936239 /nfs/dbraw/zinc/93/62/39/823936239.db2.gz UUDMILDEVPKCKQ-INIZCTEOSA-N 1 0 378.973 4.361 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@H](C)c2ccc(Br)c(F)c2)cn1 ZINC000414242336 823937865 /nfs/dbraw/zinc/93/78/65/823937865.db2.gz HPLDTIVBEGWLLH-UVBSCNOISA-N 1 0 396.304 4.233 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@H]2CCSc3ccc(Cl)cc32)cn1 ZINC000414243923 823938340 /nfs/dbraw/zinc/93/83/40/823938340.db2.gz KPKPUZUARQUZLN-SOVGHPHASA-N 1 0 377.941 4.461 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@H](C)c2nc(-c3ccccc3)cs2)cn1 ZINC000414243613 823938540 /nfs/dbraw/zinc/93/85/40/823938540.db2.gz KBWZCCIFGRVWCZ-OXFYSEKESA-N 1 0 382.533 4.455 20 0 GIADRO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CC1(c2c(F)cccc2F)CCC1 ZINC000414245960 823939228 /nfs/dbraw/zinc/93/92/28/823939228.db2.gz UEBOIWVXGNODDW-DYESRHJHSA-N 1 0 385.502 4.282 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccn(-c2ccccc2Cl)n1 ZINC000065086696 823939560 /nfs/dbraw/zinc/93/95/60/823939560.db2.gz OXSVHWJQFFFWSY-UHFFFAOYSA-N 1 0 394.906 4.052 20 0 GIADRO O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)c1scnc1C1CC1 ZINC000126744593 823940468 /nfs/dbraw/zinc/94/04/68/823940468.db2.gz IPOVNOJXFYRVJM-UHFFFAOYSA-N 1 0 389.952 4.316 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@@H](C)c2sc(-c3cccnc3)nc2C)cn1 ZINC000414249572 823940660 /nfs/dbraw/zinc/94/06/60/823940660.db2.gz QMKUMSSDTVFSEN-URLQWDBASA-N 1 0 397.548 4.158 20 0 GIADRO CC(C)c1nnc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)o1 ZINC000170691703 823941064 /nfs/dbraw/zinc/94/10/64/823941064.db2.gz VWLDOVWOWGCVFO-UHFFFAOYSA-N 1 0 376.504 4.100 20 0 GIADRO Cc1ccc(Br)c(C[NH2+][C@H](C)c2ccc(C(=O)N(C)C)cc2)c1 ZINC000414251109 823941122 /nfs/dbraw/zinc/94/11/22/823941122.db2.gz GVHZFOLCTHETLF-CQSZACIVSA-N 1 0 375.310 4.310 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@H](C)c2csc(-c3ccccc3)n2)cn1 ZINC000414253566 823942220 /nfs/dbraw/zinc/94/22/20/823942220.db2.gz UAYMLHHRYJJIQM-OXFYSEKESA-N 1 0 382.533 4.455 20 0 GIADRO O=C(Nc1ccc(F)c(Cl)c1)C1CC[NH+](Cc2ccc3c[nH]nc3c2)CC1 ZINC000126754977 823942692 /nfs/dbraw/zinc/94/26/92/823942692.db2.gz PXCIRTYWFZIWGN-UHFFFAOYSA-N 1 0 386.858 4.206 20 0 GIADRO O=C([C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1)N1CCC([NH2+]C2CCCC2)CC1 ZINC000126762601 823944477 /nfs/dbraw/zinc/94/44/77/823944477.db2.gz PSQKGIWJTLHLOH-RBUKOAKNSA-N 1 0 396.453 4.212 20 0 GIADRO Cc1ccc(Br)c(C[NH2+][C@H]2CCN(Cc3ccccn3)C[C@H]2C)c1 ZINC000414260871 823944902 /nfs/dbraw/zinc/94/49/02/823944902.db2.gz NDXPDZPRBBTPOQ-UZLBHIALSA-N 1 0 388.353 4.153 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@H](c2ccccc2)c2ccc(OC)cc2)cn1 ZINC000414261214 823944938 /nfs/dbraw/zinc/94/49/38/823944938.db2.gz ZFWBXFINIUAGPB-TUACAJSNSA-N 1 0 391.515 4.368 20 0 GIADRO CO[C@@](C)(C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccccc1F ZINC000192321097 823945716 /nfs/dbraw/zinc/94/57/16/823945716.db2.gz ZHHXERWKJZCGBP-GAJHUEQPSA-N 1 0 384.495 4.029 20 0 GIADRO [NH3+][C@@H]1CCc2ncc(NC(=O)N3Cc4ccccc4-c4ccccc4C3)cc2C1 ZINC000575234368 823948063 /nfs/dbraw/zinc/94/80/63/823948063.db2.gz VBEFQUZZTOGCGQ-LJQANCHMSA-N 1 0 384.483 4.112 20 0 GIADRO COc1ccc([C@@H]2CCCC[C@@H]2[NH2+]Cc2nccc(C(F)(F)F)n2)cc1F ZINC000414270007 823948082 /nfs/dbraw/zinc/94/80/82/823948082.db2.gz YHJXXAIRRSBUEY-ZFWWWQNUSA-N 1 0 383.389 4.459 20 0 GIADRO C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CC(C)(C)[C@H]1c1cccnc1)c1ccccc1 ZINC000575235737 823948839 /nfs/dbraw/zinc/94/88/39/823948839.db2.gz UTNIAWQHOKDDLS-YLJYHZDGSA-N 1 0 380.536 4.304 20 0 GIADRO Cc1nn(-c2cccc(F)c2)cc1C[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000414278380 823949870 /nfs/dbraw/zinc/94/98/70/823949870.db2.gz WTBGKFWNGFOEEW-UHFFFAOYSA-N 1 0 379.479 4.158 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@@H]2CCN(C(=O)C3CCCC3)C2)cnn1-c1cc(C)ccc1C ZINC000126786660 823951024 /nfs/dbraw/zinc/95/10/24/823951024.db2.gz XPBNYEWPHLQDAN-GHTZIAJQSA-N 1 0 394.563 4.239 20 0 GIADRO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+]C[C@@H](C)CC(F)(F)F)cc1 ZINC000414285432 823951392 /nfs/dbraw/zinc/95/13/92/823951392.db2.gz RMZDUMKTGNPQJY-USXIJHARSA-N 1 0 377.472 4.258 20 0 GIADRO CC(C)c1c(NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)cnn1-c1ccccc1 ZINC000192341226 823952474 /nfs/dbraw/zinc/95/24/74/823952474.db2.gz VPLRPGZHBQQROL-UHFFFAOYSA-N 1 0 395.551 4.478 20 0 GIADRO CC(C)(C)c1cc(NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)n(-c2ccc(F)cc2)n1 ZINC000170719146 823952962 /nfs/dbraw/zinc/95/29/62/823952962.db2.gz KKJDRIINMARWIB-GOSISDBHSA-N 1 0 399.514 4.011 20 0 GIADRO OC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000126797185 823953445 /nfs/dbraw/zinc/95/34/45/823953445.db2.gz GVNKITXSLMGJTQ-YOFSQIOKSA-N 1 0 379.529 4.148 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCCC(F)(F)[C@H]1O)c1ccc(OC(F)F)cc1OC(F)F ZINC000414304142 823954763 /nfs/dbraw/zinc/95/47/63/823954763.db2.gz QLIGTGYSGQYXDG-DYLAAIIWSA-N 1 0 387.320 4.089 20 0 GIADRO O=C(CCc1cncc2ccccc21)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000462387821 823954729 /nfs/dbraw/zinc/95/47/29/823954729.db2.gz MDPGAFHZZYDSSB-NRFANRHFSA-N 1 0 377.488 4.104 20 0 GIADRO COc1ccc(CN(C)C(=O)C[N@H+](Cc2ccc(C)s2)C(C)C)cc1F ZINC000065162047 823954825 /nfs/dbraw/zinc/95/48/25/823954825.db2.gz KSDVBRRCYPZTBO-UHFFFAOYSA-N 1 0 378.513 4.073 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCCc2c(O)cccc21)C(=O)Nc1ccccc1Br ZINC000192346470 823954956 /nfs/dbraw/zinc/95/49/56/823954956.db2.gz KXYBPTUCYMZCGR-BLLLJJGKSA-N 1 0 389.293 4.149 20 0 GIADRO COCCCC[N@H+](CC(=O)Nc1ccc(F)cc1Cl)Cc1ccccc1 ZINC000065166035 823956271 /nfs/dbraw/zinc/95/62/71/823956271.db2.gz GORKEYGCMGLMJC-UHFFFAOYSA-N 1 0 378.875 4.346 20 0 GIADRO COCCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCCN(Cc3cccs3)C2)cc1 ZINC000126807048 823956273 /nfs/dbraw/zinc/95/62/73/823956273.db2.gz PJVJKYJAKPGHEP-RTBURBONSA-N 1 0 388.577 4.336 20 0 GIADRO Cc1cc(NC(=O)c2ccc3c[nH+]cn3c2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC000575335590 823957903 /nfs/dbraw/zinc/95/79/03/823957903.db2.gz CWIFJBBKCLCPHK-UHFFFAOYSA-N 1 0 385.349 4.100 20 0 GIADRO c1csc(-c2ncc(CNC[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)s2)c1 ZINC000192356307 823958247 /nfs/dbraw/zinc/95/82/47/823958247.db2.gz MKJRURMDYKHHEX-GOSISDBHSA-N 1 0 399.585 4.252 20 0 GIADRO c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H](NCc4nnc(C5CC5)s4)[C@H]3C2)cc1 ZINC000414327543 823958852 /nfs/dbraw/zinc/95/88/52/823958852.db2.gz OSSDLRWMXRQLCF-SLFFLAALSA-N 1 0 382.577 4.196 20 0 GIADRO CCc1ccc([C@@H](C[NH2+]Cc2c[nH]nc2-c2cccnc2)N(CC)CC)cc1 ZINC000575341790 823958818 /nfs/dbraw/zinc/95/88/18/823958818.db2.gz FJINQNSFASNBJW-JOCHJYFZSA-N 1 0 377.536 4.207 20 0 GIADRO O=C([C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1)N1CCC([NH2+]C2CCCC2)CC1 ZINC000126819703 823959165 /nfs/dbraw/zinc/95/91/65/823959165.db2.gz ANPLVEBXPGQBMB-RBUKOAKNSA-N 1 0 380.454 4.332 20 0 GIADRO O=C1[C@@H]([NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)CCN1c1ccc(F)cc1 ZINC000414329197 823959393 /nfs/dbraw/zinc/95/93/93/823959393.db2.gz ZPCJQUIYQYPDAL-MSOLQXFVSA-N 1 0 393.384 4.012 20 0 GIADRO Cc1nn(-c2cccc(F)c2)cc1C[NH2+]Cc1ccnc(N2CCCCCC2)c1 ZINC000414328750 823959426 /nfs/dbraw/zinc/95/94/26/823959426.db2.gz CNZHGWZAZDVKFC-UHFFFAOYSA-N 1 0 393.510 4.385 20 0 GIADRO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000192363717 823959434 /nfs/dbraw/zinc/95/94/34/823959434.db2.gz OPFAOPSZMLOYRN-KXBFYZLASA-N 1 0 378.472 4.325 20 0 GIADRO CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC([NH2+]C3CCCC3)CC2)cc1 ZINC000126823135 823959566 /nfs/dbraw/zinc/95/95/66/823959566.db2.gz RQULMBGKMYBIDN-UHFFFAOYSA-N 1 0 387.524 4.170 20 0 GIADRO COc1cccc([C@@H]2C[C@H]2C[NH2+][C@H](C)c2ncc(Br)cc2F)c1 ZINC000414333332 823960475 /nfs/dbraw/zinc/96/04/75/823960475.db2.gz FMIBCJIPIMVAQN-FFSVYQOJSA-N 1 0 379.273 4.446 20 0 GIADRO Nc1c(Cl)cc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1Cl ZINC000126829494 823961161 /nfs/dbraw/zinc/96/11/61/823961161.db2.gz OETLWASUJSYRAD-LBPRGKRZSA-N 1 0 398.359 4.279 20 0 GIADRO Cc1ccncc1[C@@H](C)[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000414348203 823962357 /nfs/dbraw/zinc/96/23/57/823962357.db2.gz IQROEOYIJYSNBS-MRXNPFEDSA-N 1 0 388.353 4.468 20 0 GIADRO COc1cccc([C@@H]2C[C@H]2C[NH2+][C@H](CCn2cncn2)c2ccc(C)cc2)c1 ZINC000414345892 823962391 /nfs/dbraw/zinc/96/23/91/823962391.db2.gz UDXASCATCRGIPJ-ACIOBRDBSA-N 1 0 376.504 4.120 20 0 GIADRO CCc1ccc([C@H]([NH2+][C@@H]2C[C@H]2c2ccco2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000414351679 823962678 /nfs/dbraw/zinc/96/26/78/823962678.db2.gz RYWPPJLFSNITDD-XPNTWCBSSA-N 1 0 395.524 4.481 20 0 GIADRO CN(C(=O)c1ccc(Cl)nc1Cl)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000126846194 823964772 /nfs/dbraw/zinc/96/47/72/823964772.db2.gz WJLKOLCCABNMTM-UHFFFAOYSA-N 1 0 394.302 4.140 20 0 GIADRO C[C@H]([NH2+]C[C@@H]1CCCN(Cc2cccs2)C1)c1ccc([S@@](C)=O)cc1 ZINC000126846997 823965166 /nfs/dbraw/zinc/96/51/66/823965166.db2.gz WTUDDAQIRSQSSA-TZPNTHKFSA-N 1 0 376.591 4.048 20 0 GIADRO CCOCC[C@H](O)C[NH2+][C@@H](c1ccccc1)c1ccc(Br)cc1F ZINC000575377474 823965147 /nfs/dbraw/zinc/96/51/47/823965147.db2.gz SAXHUWSZONDGGD-LPHOPBHVSA-N 1 0 396.300 4.055 20 0 GIADRO COc1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)nc1 ZINC000462417311 823966974 /nfs/dbraw/zinc/96/69/74/823966974.db2.gz VNDNYSDWWSBODJ-UOLNFUGQSA-N 1 0 399.922 4.088 20 0 GIADRO O=C(c1ccccc1)c1ccccc1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000126855116 823967253 /nfs/dbraw/zinc/96/72/53/823967253.db2.gz ONGRQEPYCVUPIG-CVDCTZTESA-N 1 0 388.511 4.007 20 0 GIADRO Cc1cc(C(=O)NC2CC[NH+](Cc3cnc(-c4ccccc4)s3)CC2)c(C)o1 ZINC000170776719 823968573 /nfs/dbraw/zinc/96/85/73/823968573.db2.gz DXSYKVYXGXQUCU-UHFFFAOYSA-N 1 0 395.528 4.414 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1cnccc1C(F)(F)F ZINC000575426831 823969734 /nfs/dbraw/zinc/96/97/34/823969734.db2.gz AVQLQKVVFKWLRF-OAHLLOKOSA-N 1 0 391.437 4.405 20 0 GIADRO Cc1nc(C(F)(F)F)sc1C(=O)N[C@@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000462423959 823969973 /nfs/dbraw/zinc/96/99/73/823969973.db2.gz ZQGHKOAWSYNWOB-SMDDNHRTSA-N 1 0 385.455 4.200 20 0 GIADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N3CCC(F)(F)[C@@H](C)C3)cc2)C1 ZINC000575633439 823980862 /nfs/dbraw/zinc/98/08/62/823980862.db2.gz LXCSTGHHCVRQPE-KURKYZTESA-N 1 0 393.522 4.351 20 0 GIADRO Cc1cc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc(C)c1Br ZINC000192420174 823982408 /nfs/dbraw/zinc/98/24/08/823982408.db2.gz JJUPAKPHHNXVNE-GOEBONIOSA-N 1 0 380.330 4.014 20 0 GIADRO CC(C)Oc1ccccc1[C@@H](C)[NH2+][C@@H]1CCCc2c1cnn2-c1ncccn1 ZINC000575734465 823983116 /nfs/dbraw/zinc/98/31/16/823983116.db2.gz UUMGNNSMPGKPJI-VQIMIIECSA-N 1 0 377.492 4.178 20 0 GIADRO COc1ccc(CN(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C2CC2)cc1 ZINC000126932010 823983792 /nfs/dbraw/zinc/98/37/92/823983792.db2.gz LPJJJPSREUZSKK-HXUWFJFHSA-N 1 0 399.560 4.268 20 0 GIADRO Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000414430816 823983940 /nfs/dbraw/zinc/98/39/40/823983940.db2.gz MQEBMVAQKJXHLL-OAQYLSRUSA-N 1 0 375.451 4.117 20 0 GIADRO CCc1ncc(C[NH2+]Cc2cccc(Oc3cc(OC)cc(OC)c3)c2)cn1 ZINC000414438478 823986054 /nfs/dbraw/zinc/98/60/54/823986054.db2.gz JIZPZMCLRFYAJA-UHFFFAOYSA-N 1 0 379.460 4.138 20 0 GIADRO Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000414451448 823987526 /nfs/dbraw/zinc/98/75/26/823987526.db2.gz NQWSITNFWLLVIP-SFHVURJKSA-N 1 0 393.510 4.232 20 0 GIADRO Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000414451447 823987642 /nfs/dbraw/zinc/98/76/42/823987642.db2.gz NQWSITNFWLLVIP-GOSISDBHSA-N 1 0 393.510 4.232 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)C[N@@H+](CC(C)C)[C@@H]2CCCc3cccnc32)c1 ZINC000126952266 823987985 /nfs/dbraw/zinc/98/79/85/823987985.db2.gz CMPYCSFVJKXYSL-OAQYLSRUSA-N 1 0 394.519 4.014 20 0 GIADRO COc1ccccc1COC[C@@H](O)C[N@H+](CC(C)C)[C@@H]1CCCc2cccnc21 ZINC000126957260 823989422 /nfs/dbraw/zinc/98/94/22/823989422.db2.gz XPBNQPWXQUNMOL-FCHUYYIVSA-N 1 0 398.547 4.003 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]Cc2ccccc2C(F)(F)F)c1 ZINC000414478509 823992143 /nfs/dbraw/zinc/99/21/43/823992143.db2.gz GHESNZGTHIBBME-UHFFFAOYSA-N 1 0 391.842 4.442 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]Cc2ccc(C(F)(F)F)cc2)c1 ZINC000414482162 823992508 /nfs/dbraw/zinc/99/25/08/823992508.db2.gz MMFYMUSLQKJUDS-UHFFFAOYSA-N 1 0 391.842 4.442 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)N[C@@H](COC)c2cccc(Cl)c2)cc1)C1CC1 ZINC000575784819 823994770 /nfs/dbraw/zinc/99/47/70/823994770.db2.gz UIXWQSBVQYMCSF-NRFANRHFSA-N 1 0 386.923 4.442 20 0 GIADRO CC[C@H](CCO)C[NH2+][C@@H](C)c1ccc(Br)cc1Br ZINC000126986488 823994891 /nfs/dbraw/zinc/99/48/91/823994891.db2.gz RVWADLYNTIMXIN-WDEREUQCSA-N 1 0 379.136 4.271 20 0 GIADRO COc1cc(C[N@H+](C[C@@H]2CCCO2)C2CCCC2)cc(OC)c1OCC(F)F ZINC000575786056 823995239 /nfs/dbraw/zinc/99/52/39/823995239.db2.gz DIFOTFFFOGFYLC-KRWDZBQOSA-N 1 0 399.478 4.271 20 0 GIADRO COc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H](C)[C@](C)(OC)C3CC3)c2)cc1 ZINC000414497429 823995287 /nfs/dbraw/zinc/99/52/87/823995287.db2.gz FUKWNEYARPBLLN-HJPURHCSSA-N 1 0 382.504 4.241 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H]2CS[C@H](C(C)(C)C)C2)c1 ZINC000414497878 823995881 /nfs/dbraw/zinc/99/58/81/823995881.db2.gz VAVPBSUUQKHJEX-HOCLYGCPSA-N 1 0 375.987 4.143 20 0 GIADRO COc1cccc2c1CC[C@H]([NH2+][C@@H](C)c1c(C)nn(CC(F)(F)F)c1C)C2 ZINC000192447560 823996493 /nfs/dbraw/zinc/99/64/93/823996493.db2.gz YJKYUOIXQZETSH-LRDDRELGSA-N 1 0 381.442 4.279 20 0 GIADRO COc1ccc(CC[NH2+]Cc2ccc(OCc3ccncc3)c(OC)c2)cc1F ZINC000170874380 823996824 /nfs/dbraw/zinc/99/68/24/823996824.db2.gz JDUQDKCQNBHMTP-UHFFFAOYSA-N 1 0 396.462 4.149 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1c(F)cc(Br)cc1F ZINC000126997790 823997188 /nfs/dbraw/zinc/99/71/88/823997188.db2.gz WPFDHSZGXVQKJD-UHFFFAOYSA-N 1 0 383.236 4.350 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@H](C)COc2ccc(Cl)c(Cl)c2)cn1 ZINC000414507900 823997956 /nfs/dbraw/zinc/99/79/56/823997956.db2.gz XBALLXUQYYOHSV-BIENJYKASA-N 1 0 398.334 4.345 20 0 GIADRO COc1cc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@H]2C)cc(OC)c1OCc1ccccc1 ZINC000414510871 823998479 /nfs/dbraw/zinc/99/84/79/823998479.db2.gz FWHYKKSFGKLJMO-UWVAXJGDSA-N 1 0 385.504 4.186 20 0 GIADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccccc1SCc1cscn1 ZINC000575793607 823998410 /nfs/dbraw/zinc/99/84/10/823998410.db2.gz GUXLDLRMIYTYCH-OAHLLOKOSA-N 1 0 377.579 4.286 20 0 GIADRO C[C@@H](C[N@@H+]1C[C@H](c2ccccc2)C2(CCC2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000414512005 823998842 /nfs/dbraw/zinc/99/88/42/823998842.db2.gz LZCJBSGHPXZSNN-PGRDOPGGSA-N 1 0 383.557 4.463 20 0 GIADRO COCC1CCC([NH2+]Cc2ccc(OC(F)F)c(Br)c2)CC1 ZINC000414511292 823998900 /nfs/dbraw/zinc/99/89/00/823998900.db2.gz KKNKZTOXYUQLGG-UHFFFAOYSA-N 1 0 378.257 4.345 20 0 GIADRO CCOc1cc(C[NH2+]C2CCC(COC)CC2)ccc1OCC(F)(F)F ZINC000414513997 823999466 /nfs/dbraw/zinc/99/94/66/823999466.db2.gz QQXWRAUJOYOQBR-UHFFFAOYSA-N 1 0 375.431 4.321 20 0 GIADRO Cc1cc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCCCC2)ccc1-n1cncn1 ZINC000414517899 823999771 /nfs/dbraw/zinc/99/97/71/823999771.db2.gz AFUHJYBAEQMZPT-QHCPKHFHSA-N 1 0 390.531 4.349 20 0 GIADRO CC1CC[NH+]([C@H](CNC(=O)N(Cc2cccnc2)C2CC2)c2cccs2)CC1 ZINC000170883263 823999876 /nfs/dbraw/zinc/99/98/76/823999876.db2.gz YDTLFAQZGLTBGY-HXUWFJFHSA-N 1 0 398.576 4.290 20 0 GIADRO CC(C)n1nccc1NC(=O)[C@@H](C)[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000192462967 824000425 /nfs/dbraw/zinc/00/04/25/824000425.db2.gz NKCNZKUTSHKBDO-IUODEOHRSA-N 1 0 378.929 4.271 20 0 GIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)Nc2cc(-c3ccsc3)nn2C)C1 ZINC000575809286 824001374 /nfs/dbraw/zinc/00/13/74/824001374.db2.gz MZDZUPZWBZNKFV-MAUKXSAKSA-N 1 0 395.532 4.106 20 0 GIADRO COc1ccccc1C(C)(C)NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000170890873 824001434 /nfs/dbraw/zinc/00/14/34/824001434.db2.gz KKMWEKNSWCOVTI-UHFFFAOYSA-N 1 0 381.520 4.026 20 0 GIADRO C[C@]12CCCN1C[C@H](c1noc(C3(c4ccc(C(F)(F)F)cc4)CC3)n1)OC2 ZINC000575812691 824002129 /nfs/dbraw/zinc/00/21/29/824002129.db2.gz NXWSLILBNHBNGK-CRAIPNDOSA-N 1 0 393.409 4.094 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)NC1(c2ccc(Cl)cc2)CCC1 ZINC000170899587 824002715 /nfs/dbraw/zinc/00/27/15/824002715.db2.gz BWQXFIFIHTWURK-UHFFFAOYSA-N 1 0 398.938 4.078 20 0 GIADRO Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000575821790 824003394 /nfs/dbraw/zinc/00/33/94/824003394.db2.gz ICIBAFUDSBCYFX-GFCCVEGCSA-N 1 0 382.291 4.028 20 0 GIADRO OCC1([C@H]([NH2+]Cc2ccc(F)cc2C(F)(F)F)c2ccccc2)CCOCC1 ZINC000414533520 824003354 /nfs/dbraw/zinc/00/33/54/824003354.db2.gz FEUPUSUWTRGBHF-LJQANCHMSA-N 1 0 397.412 4.465 20 0 GIADRO Cc1cc2[nH]c(C[NH2+][C@@H](c3ccccc3)C3(CO)CCOCC3)cc2c(C)c1 ZINC000414534856 824003917 /nfs/dbraw/zinc/00/39/17/824003917.db2.gz GYEYMZQXNUWSJA-QHCPKHFHSA-N 1 0 378.516 4.405 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000192472205 824004166 /nfs/dbraw/zinc/00/41/66/824004166.db2.gz KCUJNYJCSPKVEB-AOMKIAJQSA-N 1 0 379.529 4.478 20 0 GIADRO C[NH+](C)C[C@H](NC(=O)CCc1cccc(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000575828226 824005621 /nfs/dbraw/zinc/00/56/21/824005621.db2.gz KUWLEGDMTQACTD-SFHVURJKSA-N 1 0 382.401 4.196 20 0 GIADRO CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc(SCc3csc(C)n3)cc2)[C@@H](C)C1 ZINC000575833745 824007090 /nfs/dbraw/zinc/00/70/90/824007090.db2.gz RUUBAZHSGXGRKT-GASCZTMLSA-N 1 0 389.590 4.299 20 0 GIADRO C[NH+](C)C[C@@H]1CCN(C(=O)Nc2cc(Cl)ccc2SCC(F)(F)F)C1 ZINC000127049803 824007140 /nfs/dbraw/zinc/00/71/40/824007140.db2.gz YCEAHVHJPXMZLZ-NSHDSACASA-N 1 0 395.878 4.410 20 0 GIADRO CC[C@@H]1C[C@H](C[N@H+](C[C@@H](O)COc2ccccc2SC)C(C)C)CCO1 ZINC000414544883 824007566 /nfs/dbraw/zinc/00/75/66/824007566.db2.gz FRFYVBKKVXQSAR-GUDVDZBRSA-N 1 0 381.582 4.064 20 0 GIADRO CSc1ccccc1OC[C@H](O)C[N@H+](Cc1scnc1C1CC1)C(C)C ZINC000414551026 824009751 /nfs/dbraw/zinc/00/97/51/824009751.db2.gz JLCBQRUSDMJBMD-MRXNPFEDSA-N 1 0 392.590 4.393 20 0 GIADRO O=C(/C=C/c1cnc2ccccc2n1)Nc1ccc(-c2ncc3n2CCCC3)cc1 ZINC000192492008 824009969 /nfs/dbraw/zinc/00/99/69/824009969.db2.gz PTVAVVFNXNMMRR-OUKQBFOZSA-N 1 0 395.466 4.482 20 0 GIADRO CCOc1cc(C[NH2+]CC(C)(C)c2cccnc2)ccc1OCC(F)(F)F ZINC000414561522 824013277 /nfs/dbraw/zinc/01/32/77/824013277.db2.gz SJKSJNYLSSMUIZ-UHFFFAOYSA-N 1 0 382.426 4.489 20 0 GIADRO CCC[C@H]1CN(C(=O)C[C@@H](C)c2c(C)n[nH]c2C)CC[N@@H+]1Cc1ccccc1 ZINC000127079874 824013270 /nfs/dbraw/zinc/01/32/70/824013270.db2.gz NSIOUYACSOGWOW-UTKZUKDTSA-N 1 0 382.552 4.033 20 0 GIADRO OC[C@H]1CCC[C@@H]([NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)C1 ZINC000414571796 824014395 /nfs/dbraw/zinc/01/43/95/824014395.db2.gz KTFQJLGTNXRRHB-SWLSCSKDSA-N 1 0 381.339 4.213 20 0 GIADRO Cn1cc([C@@H]2C[N@H+](CC(=O)Nc3ccccc3-c3ccccc3)CC2(C)C)cn1 ZINC000575861443 824015086 /nfs/dbraw/zinc/01/50/86/824015086.db2.gz LJJDBWIYUMXUQN-NRFANRHFSA-N 1 0 388.515 4.151 20 0 GIADRO Oc1cc(F)cc(C[NH2+]C2CCN(Cc3cccc(Br)c3)CC2)c1 ZINC000414580004 824015423 /nfs/dbraw/zinc/01/54/23/824015423.db2.gz CZEHNHADXSQCSO-UHFFFAOYSA-N 1 0 393.300 4.048 20 0 GIADRO CCC1(C[NH2+]C2CCN(Cc3cccc(Br)c3)CC2)CCOCC1 ZINC000414580125 824015516 /nfs/dbraw/zinc/01/55/16/824015516.db2.gz DNZARQXSLOAJKV-UHFFFAOYSA-N 1 0 395.385 4.210 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH+]2CCC(c3ccccc3C)CC2)c1 ZINC000170953792 824015811 /nfs/dbraw/zinc/01/58/11/824015811.db2.gz CBXPKUDCTKNZPJ-KRWDZBQOSA-N 1 0 379.504 4.160 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C)c1cncc(Br)c1 ZINC000575883498 824019108 /nfs/dbraw/zinc/01/91/08/824019108.db2.gz VSDINERARKKYRX-GQIGUUNPSA-N 1 0 388.353 4.405 20 0 GIADRO Fc1ccccc1OCc1ccc(-c2noc(CSC3CC[NH2+]CC3)n2)cc1 ZINC000414633649 824019555 /nfs/dbraw/zinc/01/95/55/824019555.db2.gz ZZLCWQITENOBGY-UHFFFAOYSA-N 1 0 399.491 4.440 20 0 GIADRO CC[C@H]([NH2+]C[C@H]1CCN(S(=O)(=O)c2cccs2)C1)c1cccc(Cl)c1 ZINC000575889741 824020866 /nfs/dbraw/zinc/02/08/66/824020866.db2.gz KAWZCBJGUOWXKP-PBHICJAKSA-N 1 0 398.981 4.153 20 0 GIADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000414683054 824023025 /nfs/dbraw/zinc/02/30/25/824023025.db2.gz SIEUKKFTWQZWMJ-ZJUUUORDSA-N 1 0 383.336 4.315 20 0 GIADRO Cc1cc(C)c(NC(=O)C[NH2+]C2(c3ccc(F)cc3)CCOCC2)c(Cl)c1 ZINC000170972185 824024257 /nfs/dbraw/zinc/02/42/57/824024257.db2.gz ZOBUEBAUWSLQEX-UHFFFAOYSA-N 1 0 390.886 4.330 20 0 GIADRO CCCc1noc2nc(C3CC3)cc(C(=O)N3CCCC[C@@H]([NH+]4CCCC4)C3)c12 ZINC000170973779 824024716 /nfs/dbraw/zinc/02/47/16/824024716.db2.gz KVSLRDICIKZUEQ-QGZVFWFLSA-N 1 0 396.535 4.143 20 0 GIADRO CO[C@H]1CCN(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)[C@@H](C[NH3+])C1 ZINC000414714854 824025406 /nfs/dbraw/zinc/02/54/06/824025406.db2.gz VZEZWYSTLSYUMM-WBVHZDCISA-N 1 0 389.883 4.102 20 0 GIADRO CO[C@@H]1CCN(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)[C@@H](C[NH3+])C1 ZINC000414714850 824025629 /nfs/dbraw/zinc/02/56/29/824025629.db2.gz VZEZWYSTLSYUMM-NVXWUHKLSA-N 1 0 389.883 4.102 20 0 GIADRO Cc1nc2ccc(NC(=O)N3CC[C@H](c4ccc(F)cc4)[C@@H]([NH3+])C3)cc2s1 ZINC000414717660 824025994 /nfs/dbraw/zinc/02/59/94/824025994.db2.gz ZUCUVWQQOULHTF-SJORKVTESA-N 1 0 384.480 4.093 20 0 GIADRO Cc1csc([C@H](C)[NH2+]C[C@@H](O)COc2ccc(Oc3ccccc3)cc2)n1 ZINC000575906626 824026042 /nfs/dbraw/zinc/02/60/42/824026042.db2.gz JFSRPFIHOXFQLY-DLBZAZTESA-N 1 0 384.501 4.334 20 0 GIADRO CC(C)c1ccc([C@H](C[NH2+][C@@H]2CCOC[C@@H]2C)NC(=O)OC(C)(C)C)cc1 ZINC000192543203 824026163 /nfs/dbraw/zinc/02/61/63/824026163.db2.gz HCRGKEWHRDAWMI-DBVUQKKJSA-N 1 0 376.541 4.390 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)CCN2c3ccccc3Sc3ccccc32)C1 ZINC000170977676 824026293 /nfs/dbraw/zinc/02/62/93/824026293.db2.gz UXURAACTUKDNHS-QGZVFWFLSA-N 1 0 381.545 4.137 20 0 GIADRO CCNC(=O)COc1ccc(C[N@@H+]2C[C@@H](C)CC[C@H]2c2ccccc2)cc1OC ZINC000575907464 824026587 /nfs/dbraw/zinc/02/65/87/824026587.db2.gz HNKDRVAZTJDOMH-RXVVDRJESA-N 1 0 396.531 4.183 20 0 GIADRO Cc1cc(Br)ccc1NC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000414721297 824026722 /nfs/dbraw/zinc/02/67/22/824026722.db2.gz GEXVRAIMWUYNOZ-YOEHRIQHSA-N 1 0 380.330 4.144 20 0 GIADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)C1 ZINC000414724356 824027811 /nfs/dbraw/zinc/02/78/11/824027811.db2.gz FAFQMQYAUSPBEL-WBVHZDCISA-N 1 0 394.544 4.478 20 0 GIADRO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000414729363 824029262 /nfs/dbraw/zinc/02/92/62/824029262.db2.gz DZJCZKVJBWCCAW-LBPRGKRZSA-N 1 0 394.302 4.000 20 0 GIADRO O=C(Nc1ccc(Oc2ccc(Br)cc2)cc1)NC1CC[NH2+]CC1 ZINC000414730603 824029509 /nfs/dbraw/zinc/02/95/09/824029509.db2.gz SHUVGPKPQGEVRX-UHFFFAOYSA-N 1 0 390.281 4.115 20 0 GIADRO CN(C)c1ccc(C(F)(F)F)cc1NC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000414731771 824029611 /nfs/dbraw/zinc/02/96/11/824029611.db2.gz HXRRONZTMAWEQU-PBHICJAKSA-N 1 0 398.473 4.157 20 0 GIADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000414730076 824029617 /nfs/dbraw/zinc/02/96/17/824029617.db2.gz RAFHASKLMSQCNL-ZBFHGGJFSA-N 1 0 380.517 4.088 20 0 GIADRO CCCN(C(=O)C(=O)Nc1ccccc1C[NH2+]C)[C@H](C)c1cc2ccccc2o1 ZINC000414732453 824029692 /nfs/dbraw/zinc/02/96/92/824029692.db2.gz BRFSZCGJRMKXIM-MRXNPFEDSA-N 1 0 393.487 4.091 20 0 GIADRO Cn1c2ccc(C[NH2+][C@@H]3CCc4c3cccc4Br)cc2sc1=O ZINC000192556456 824030408 /nfs/dbraw/zinc/03/04/08/824030408.db2.gz ACIGSLBVJDQWJB-OAHLLOKOSA-N 1 0 389.318 4.140 20 0 GIADRO CCCN(C(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1)C1CC[NH2+]CC1 ZINC000414737986 824031157 /nfs/dbraw/zinc/03/11/57/824031157.db2.gz OSCGPCCLRMXROD-UHFFFAOYSA-N 1 0 394.491 4.008 20 0 GIADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)C1 ZINC000414742747 824031962 /nfs/dbraw/zinc/03/19/62/824031962.db2.gz UBAXQRICORSJOU-PWSUYJOCSA-N 1 0 399.347 4.290 20 0 GIADRO C[C@@H]1CN(C(=O)Nc2ccccc2-c2nc3ccccc3s2)C[C@@]1(C)C[NH3+] ZINC000414746242 824032418 /nfs/dbraw/zinc/03/24/18/824032418.db2.gz YRVXOEIYTFAMGK-SPLOXXLWSA-N 1 0 380.517 4.412 20 0 GIADRO COCc1ccc(NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000192567191 824033632 /nfs/dbraw/zinc/03/36/32/824033632.db2.gz NJVUKPUZBAHEMR-XMSQKQJNSA-N 1 0 381.520 4.350 20 0 GIADRO CC1(C)C[NH2+]CC[C@H]1NC(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000414758894 824033737 /nfs/dbraw/zinc/03/37/37/824033737.db2.gz ZADMDGXIJSHJIO-GOSISDBHSA-N 1 0 380.517 4.473 20 0 GIADRO CC[C@H](c1ccccc1OC)N(C)C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000575945260 824033894 /nfs/dbraw/zinc/03/38/94/824033894.db2.gz TYDIXFVSAYUHBP-HXUWFJFHSA-N 1 0 385.508 4.251 20 0 GIADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000414769312 824034647 /nfs/dbraw/zinc/03/46/47/824034647.db2.gz JUJSYOWWZGWBJO-BEFAXECRSA-N 1 0 381.480 4.064 20 0 GIADRO C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000575950935 824035279 /nfs/dbraw/zinc/03/52/79/824035279.db2.gz XKTLBEGRBFVNTR-INDWDQIESA-N 1 0 394.359 4.252 20 0 GIADRO C[C@H]([NH2+]C1(CNC(=O)[C@@H]2CCCc3cccnc32)CCCC1)c1ccccc1 ZINC000192570889 824035487 /nfs/dbraw/zinc/03/54/87/824035487.db2.gz YSWBBGQTWGHWHC-GHTZIAJQSA-N 1 0 377.532 4.281 20 0 GIADRO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@H](CC2CCCCC2)c2ccccc2)cc1 ZINC000414788432 824036516 /nfs/dbraw/zinc/03/65/16/824036516.db2.gz MMXXDUCLMRILJA-VGOFRKELSA-N 1 0 393.531 4.473 20 0 GIADRO [NH3+][C@@H]1CN(C(=O)Nc2ccccc2OC(F)(F)F)CC[C@H]1c1ccc(F)cc1 ZINC000414792187 824036875 /nfs/dbraw/zinc/03/68/75/824036875.db2.gz RCUQLBBUUPSQNC-LSDHHAIUSA-N 1 0 397.372 4.073 20 0 GIADRO CCCN(C(=O)Nc1ccc(Oc2ccccc2OC)cc1)C1CC[NH2+]CC1 ZINC000414795780 824036920 /nfs/dbraw/zinc/03/69/20/824036920.db2.gz VBSOOYZZHCNGSN-UHFFFAOYSA-N 1 0 383.492 4.483 20 0 GIADRO Fc1ccc(-n2cc(C[N@@H+]3C[C@H](c4ccccc4)[C@H]4COCC[C@H]43)cn2)cc1 ZINC000575956123 824037175 /nfs/dbraw/zinc/03/71/75/824037175.db2.gz KUNGFALQSWUMBE-DNVJHFABSA-N 1 0 377.463 4.016 20 0 GIADRO Cc1nnc(CC[NH2+]Cc2cn(-c3ccccc3Cl)nc2C(C)(C)C)s1 ZINC000575958522 824037796 /nfs/dbraw/zinc/03/77/96/824037796.db2.gz VPELUPMTAVRZRG-UHFFFAOYSA-N 1 0 389.956 4.315 20 0 GIADRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000575959247 824038124 /nfs/dbraw/zinc/03/81/24/824038124.db2.gz PINIKTGEASAIHC-CYBMUJFWSA-N 1 0 398.338 4.088 20 0 GIADRO CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000171016983 824038149 /nfs/dbraw/zinc/03/81/49/824038149.db2.gz BBOSDWFQIPPADW-HXUWFJFHSA-N 1 0 397.567 4.166 20 0 GIADRO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1cc(NC(C)=O)ccc1OC)c1ccc(C)cc1 ZINC000192586087 824038343 /nfs/dbraw/zinc/03/83/43/824038343.db2.gz GYICYNKMGPKGAR-DNVCBOLYSA-N 1 0 383.492 4.030 20 0 GIADRO CN(C[C@H](O)C[NH3+])C(=O)Nc1ccc(-c2ccc(C(C)(C)C)cc2)cc1Cl ZINC000414829145 824040290 /nfs/dbraw/zinc/04/02/90/824040290.db2.gz KFNYKGXEFWKLLC-QGZVFWFLSA-N 1 0 389.927 4.088 20 0 GIADRO Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000414840880 824040752 /nfs/dbraw/zinc/04/07/52/824040752.db2.gz KQXOFNHKHGKRGN-NRFANRHFSA-N 1 0 394.519 4.276 20 0 GIADRO [NH3+][C@@H]1CCc2ncc(NC(=O)N3CCCC[C@H]3c3cccc(Cl)c3)cc2C1 ZINC000575971313 824041981 /nfs/dbraw/zinc/04/19/81/824041981.db2.gz SJGACNNETQOGIY-XLIONFOSSA-N 1 0 384.911 4.310 20 0 GIADRO CCCCN(C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2)[C@H](CC)c1ccccc1 ZINC000414852964 824042171 /nfs/dbraw/zinc/04/21/71/824042171.db2.gz RASURHUXBRHPFB-JOCHJYFZSA-N 1 0 393.531 4.051 20 0 GIADRO C[C@H](NCc1csc(-c2cccc(Br)c2)n1)[C@H]1CCC[NH2+]C1 ZINC000414852623 824042226 /nfs/dbraw/zinc/04/22/26/824042226.db2.gz KDNYFAACROHDPV-JSGCOSHPSA-N 1 0 380.355 4.050 20 0 GIADRO Cc1nc(-c2ccco2)ccc1C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000171029250 824042550 /nfs/dbraw/zinc/04/25/50/824042550.db2.gz DEZDUQWFXNIFCQ-UHFFFAOYSA-N 1 0 390.487 4.044 20 0 GIADRO O=C(NCC(F)(F)c1ccc(Cl)cc1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000575976553 824042750 /nfs/dbraw/zinc/04/27/50/824042750.db2.gz NWQIPNKHRCDRKG-RDTXWAMCSA-N 1 0 397.897 4.090 20 0 GIADRO CC[NH2+]Cc1cccc(NCc2cc(OC)c(OC)cc2Br)c1 ZINC000414874560 824043850 /nfs/dbraw/zinc/04/38/50/824043850.db2.gz YPUDYHLWBYEGOA-UHFFFAOYSA-N 1 0 379.298 4.188 20 0 GIADRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000414881244 824044569 /nfs/dbraw/zinc/04/45/69/824044569.db2.gz ADQSJABRCZKQIA-DLBZAZTESA-N 1 0 395.507 4.278 20 0 GIADRO COc1ccc([C@H]2CC[NH2+]C[C@H]2NCc2csc(-c3ccccc3)n2)cc1 ZINC000414881649 824044657 /nfs/dbraw/zinc/04/46/57/824044657.db2.gz LEHUKOOHNYWFKL-NHCUHLMSSA-N 1 0 379.529 4.054 20 0 GIADRO COc1ccc([C@H]2CC[NH2+]C[C@H]2NCc2csc(-c3ccc(F)cc3)n2)cc1 ZINC000414881235 824044692 /nfs/dbraw/zinc/04/46/92/824044692.db2.gz KSVWDJNIEMMESP-NHCUHLMSSA-N 1 0 397.519 4.193 20 0 GIADRO CCC(=O)Nc1ccc(C)c(NC(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)c1 ZINC000414881291 824044696 /nfs/dbraw/zinc/04/46/96/824044696.db2.gz KWOFMXVGBPHJAL-LJQANCHMSA-N 1 0 382.508 4.288 20 0 GIADRO CCC(=O)Nc1ccc(C)c(NC(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)c1 ZINC000414881288 824044723 /nfs/dbraw/zinc/04/47/23/824044723.db2.gz KWOFMXVGBPHJAL-IBGZPJMESA-N 1 0 382.508 4.288 20 0 GIADRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000414883310 824045058 /nfs/dbraw/zinc/04/50/58/824045058.db2.gz DKDKQBKFAGMNGB-QGZVFWFLSA-N 1 0 395.507 4.150 20 0 GIADRO O=C([C@@H]1C[C@H]1c1ccccc1C(F)(F)F)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000171043559 824045793 /nfs/dbraw/zinc/04/57/93/824045793.db2.gz JRSVTJRUQPBRJO-BPQIPLTHSA-N 1 0 380.454 4.286 20 0 GIADRO CC[N@@H+]1CCN(C(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)[C@@H](C)C1 ZINC000575994777 824046176 /nfs/dbraw/zinc/04/61/76/824046176.db2.gz WWAAIMZBJJGWFP-ZDUSSCGKSA-N 1 0 396.318 4.134 20 0 GIADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NCc2csc(-c3cccs3)n2)cc1 ZINC000414894564 824046778 /nfs/dbraw/zinc/04/67/78/824046778.db2.gz ZOUCRUDLUWOSNR-ROUUACIJSA-N 1 0 385.558 4.116 20 0 GIADRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000414892971 824046828 /nfs/dbraw/zinc/04/68/28/824046828.db2.gz QPWGWUOMSQJWDX-BEFAXECRSA-N 1 0 395.507 4.230 20 0 GIADRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000414895092 824047109 /nfs/dbraw/zinc/04/71/09/824047109.db2.gz VWZDZBRXULGSFL-SJORKVTESA-N 1 0 395.507 4.230 20 0 GIADRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N[C@@H](C)CCCC[NH3+] ZINC000414895216 824047177 /nfs/dbraw/zinc/04/71/77/824047177.db2.gz WBRHHHRTVJLYPQ-INIZCTEOSA-N 1 0 383.496 4.278 20 0 GIADRO Cc1cc(C)n(-c2cccc(NC(=O)N[C@@H](CCC[NH3+])c3ccccc3)c2)n1 ZINC000414912377 824048988 /nfs/dbraw/zinc/04/89/88/824048988.db2.gz UIXASFNYAFXQJO-NRFANRHFSA-N 1 0 377.492 4.091 20 0 GIADRO C[C@H](O)c1ccc(CNC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)cc1 ZINC000171057012 824050050 /nfs/dbraw/zinc/05/00/50/824050050.db2.gz RTRNQJDSSCJRKC-IBGZPJMESA-N 1 0 395.547 4.115 20 0 GIADRO CCOc1ccc(NC(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)cc1Cl ZINC000414920189 824050172 /nfs/dbraw/zinc/05/01/72/824050172.db2.gz XBSKKCXUXGGWBV-AEFFLSMTSA-N 1 0 391.874 4.227 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)C[N@@H+](C)[C@H]2CCCC[C@@H]2C)c(C(F)(F)F)c1 ZINC000192631471 824050758 /nfs/dbraw/zinc/05/07/58/824050758.db2.gz DRSXXFMKIXUTQZ-SJCJKPOMSA-N 1 0 385.430 4.113 20 0 GIADRO Nc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000414927632 824051018 /nfs/dbraw/zinc/05/10/18/824051018.db2.gz MGASNUMMMGSZFO-SFHVURJKSA-N 1 0 379.485 4.288 20 0 GIADRO CC(C)CNC(=O)c1ccc(NC(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)cc1 ZINC000414935589 824051831 /nfs/dbraw/zinc/05/18/31/824051831.db2.gz ULAZAJOHMNFNCU-OAQYLSRUSA-N 1 0 396.535 4.017 20 0 GIADRO CCc1ccccc1NC(=O)C[C@H](C)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000414936792 824051948 /nfs/dbraw/zinc/05/19/48/824051948.db2.gz HAMFSUJETSMXDQ-SBUREZEXSA-N 1 0 375.516 4.409 20 0 GIADRO CC[NH+](CC)Cc1ccc(-c2nc(Cc3csc([C@H](C)OC)n3)no2)cc1 ZINC000576026727 824052756 /nfs/dbraw/zinc/05/27/56/824052756.db2.gz FCYGIBKIHPDIHS-AWEZNQCLSA-N 1 0 386.521 4.333 20 0 GIADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)Nc1ccccc1CN1CCc2ccccc21 ZINC000414953154 824053701 /nfs/dbraw/zinc/05/37/01/824053701.db2.gz APFCTFFOUHLPHV-FQEVSTJZSA-N 1 0 380.536 4.086 20 0 GIADRO Cc1ccc(OCc2nc(CNC[C@@H]3[NH2+]CCc4ccccc43)cs2)cc1 ZINC000414957632 824053737 /nfs/dbraw/zinc/05/37/37/824053737.db2.gz QHAMYVOZAOTKPY-NRFANRHFSA-N 1 0 379.529 4.007 20 0 GIADRO CC(C)(C)c1cc(CN[C@@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)no1 ZINC000576031833 824053723 /nfs/dbraw/zinc/05/37/23/824053723.db2.gz QXGJWOUDOZMTFR-LJQANCHMSA-N 1 0 382.426 4.482 20 0 GIADRO COc1ccc(C[C@](C)(O)C[NH2+][C@H]2CCC[C@@H]2c2ccc(F)cc2)cc1OC ZINC000576033589 824054476 /nfs/dbraw/zinc/05/44/76/824054476.db2.gz PTDYWVYKZDGXDV-QTEQDKRBSA-N 1 0 387.495 4.062 20 0 GIADRO C[C@H]([NH3+])c1ccc(NC(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2)cc1 ZINC000414969054 824055660 /nfs/dbraw/zinc/05/56/60/824055660.db2.gz DOKXQHVNSPDQCL-INIZCTEOSA-N 1 0 380.492 4.222 20 0 GIADRO CC[NH2+]CC1CCN(C(=O)Nc2ccccc2CN2CCc3ccccc32)CC1 ZINC000414972443 824055952 /nfs/dbraw/zinc/05/59/52/824055952.db2.gz KFWNJONNWKCYHV-UHFFFAOYSA-N 1 0 392.547 4.103 20 0 GIADRO CC[N@@H+]1CCC[C@@H](CN(C)Cc2cnc(C3CCC3)s2)[C@@H]1c1cnn(C)c1 ZINC000328635856 206237244 /nfs/dbraw/zinc/23/72/44/206237244.db2.gz NRZUCIVNKKEUGM-FXAWDEMLSA-N 1 0 387.597 4.049 20 0 GIADRO C[C@H](CC(C)(C)c1ccccc1)[NH2+]Cc1nnc2n1C[C@H](C(F)(F)F)CC2 ZINC000359907141 206269109 /nfs/dbraw/zinc/26/91/09/206269109.db2.gz WVBDDXPQXGRCLQ-GDBMZVCRSA-N 1 0 380.458 4.249 20 0 GIADRO C[C@@H]1C[C@H]([NH2+]C2CCN(CCC(F)(F)F)CC2)CCN1Cc1ccccc1 ZINC000359994433 206277542 /nfs/dbraw/zinc/27/75/42/206277542.db2.gz BMGOROQQRIOKNT-YLJYHZDGSA-N 1 0 383.502 4.046 20 0 GIADRO COCc1cccc(C[NH2+][C@H](C)c2ccc(I)cc2)c1 ZINC000038010707 207250419 /nfs/dbraw/zinc/25/04/19/207250419.db2.gz YAFOYTVDOCMNCX-CYBMUJFWSA-N 1 0 381.257 4.288 20 0 GIADRO O=C(Cc1csc(-c2cccs2)n1)NCc1ccccc1C[NH+]1CCCC1 ZINC000021962480 207244039 /nfs/dbraw/zinc/24/40/39/207244039.db2.gz SSIZGOQADWKIBY-UHFFFAOYSA-N 1 0 397.569 4.326 20 0 GIADRO CCOc1ccc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1OCC ZINC000023738735 207282664 /nfs/dbraw/zinc/28/26/64/207282664.db2.gz IWYDQZVZXHFWMP-HXUWFJFHSA-N 1 0 382.504 4.051 20 0 GIADRO FC(F)(c1nc2cc(Cl)c(Cl)cc2nc1Cl)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001164410678 718874701 /nfs/dbraw/zinc/87/47/01/718874701.db2.gz FYRYXUMRUBIRSP-JOYOIKCWSA-N 1 0 393.652 4.076 20 0 GIADRO FC(F)(c1nc2cc(Cl)c(Cl)cc2nc1Cl)N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001164448704 718996758 /nfs/dbraw/zinc/99/67/58/718996758.db2.gz IPGIJWNROBGANX-BXKDBHETSA-N 1 0 393.652 4.076 20 0 GIADRO Cc1cc(C(F)(F)N2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cc(Cl)n1 ZINC001164620650 719043491 /nfs/dbraw/zinc/04/34/91/719043491.db2.gz GKSHSOSFRBBRFA-MJGOQNOKSA-N 1 0 377.866 4.172 20 0 GIADRO Cc1cc(Cl)ncc1C(F)(F)N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164620728 719045602 /nfs/dbraw/zinc/04/56/02/719045602.db2.gz GUCCFJZGBINVDI-MJGOQNOKSA-N 1 0 377.866 4.172 20 0 GIADRO Fc1cnc(Cl)cc1C(F)(F)N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164627771 719045796 /nfs/dbraw/zinc/04/57/96/719045796.db2.gz WEGUXVAXADNWRD-QAPCUYQASA-N 1 0 381.829 4.003 20 0 GIADRO Clc1nnc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c2ccccc12 ZINC001164622728 719061021 /nfs/dbraw/zinc/06/10/21/719061021.db2.gz IQFLDJZTVGLLKS-YLJYHZDGSA-N 1 0 378.907 4.384 20 0 GIADRO c1ccc(C[N@H+]2C[C@H]3[C@H](C2)CCCN3c2cc(Oc3ccccc3)ncn2)cc1 ZINC001164621866 719064086 /nfs/dbraw/zinc/06/40/86/719064086.db2.gz IAFZSVQYXOUZQC-UNMCSNQZSA-N 1 0 386.499 4.370 20 0 GIADRO Cc1nc(Cl)cc(C(F)(F)N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164618948 719064445 /nfs/dbraw/zinc/06/44/45/719064445.db2.gz BQXPSYNQTQUBJK-IRXDYDNUSA-N 1 0 392.881 4.084 20 0 GIADRO Cc1nc2cc(F)ccc2c(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164624352 719067790 /nfs/dbraw/zinc/06/77/90/719067790.db2.gz LJTRQUSBMJCDFM-GCJKJVERSA-N 1 0 376.479 4.178 20 0 GIADRO Clc1ccnc2nc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)ccc12 ZINC001164628877 719083583 /nfs/dbraw/zinc/08/35/83/719083583.db2.gz UEWIOCFUQMYGCR-FXAWDEMLSA-N 1 0 378.907 4.384 20 0 GIADRO Clc1ccnc2cnc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)cc12 ZINC001164628923 719085441 /nfs/dbraw/zinc/08/54/41/719085441.db2.gz UWSLYDRGTIEAQF-UTKZUKDTSA-N 1 0 378.907 4.384 20 0 GIADRO Cc1nc(-c2ccncc2)nc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1C ZINC001164625130 719104935 /nfs/dbraw/zinc/10/49/35/719104935.db2.gz GQMCEWWMTKSHQV-PKTZIBPZSA-N 1 0 399.542 4.256 20 0 GIADRO CSc1ccc2ncnc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)c2c1 ZINC001164630376 719109942 /nfs/dbraw/zinc/10/99/42/719109942.db2.gz VWIXXYOHBWLOHX-XMSQKQJNSA-N 1 0 390.556 4.453 20 0 GIADRO CC(C)C[NH+]1CCN(C(F)(F)c2ccc(-c3ccc(Cl)nn3)cc2)CC1 ZINC001164657355 719338187 /nfs/dbraw/zinc/33/81/87/719338187.db2.gz IXYMSGKOCQGDEQ-UHFFFAOYSA-N 1 0 380.870 4.120 20 0 GIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nccc4ncccc42)CC3)cs1 ZINC001164691751 719804448 /nfs/dbraw/zinc/80/44/48/719804448.db2.gz JOPHZEPICLXBOU-UHFFFAOYSA-N 1 0 379.533 4.030 20 0 GIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(Cl)ncc2F)CC3)cs1 ZINC001164693852 719807711 /nfs/dbraw/zinc/80/77/11/719807711.db2.gz RSRZWAAJLJBAAQ-UHFFFAOYSA-N 1 0 380.920 4.274 20 0 GIADRO CCc1c(Cl)ncnc1N1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001164693082 719814707 /nfs/dbraw/zinc/81/47/07/719814707.db2.gz UGEIFTCZIPMIRQ-UHFFFAOYSA-N 1 0 391.972 4.092 20 0 GIADRO F[C@@H](c1ccnc(Cl)c1)N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164696039 719892307 /nfs/dbraw/zinc/89/23/07/719892307.db2.gz VMYZKULHZLFMHB-GOSISDBHSA-N 1 0 395.931 4.132 20 0 GIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(C)c3cccc(C)c3n1)C2 ZINC001164808594 720076749 /nfs/dbraw/zinc/07/67/49/720076749.db2.gz IHJWFLPOJBCULW-RDPSFJRHSA-N 1 0 379.548 4.036 20 0 GIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc3cc(Cl)ccc3n1)C2 ZINC001164808610 720080936 /nfs/dbraw/zinc/08/09/36/720080936.db2.gz IIFFKEJIWFEENH-XMSQKQJNSA-N 1 0 385.939 4.073 20 0 GIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(Cl)nc3sccc31)C2 ZINC001164805877 720099504 /nfs/dbraw/zinc/09/95/04/720099504.db2.gz AIKSNUJEJUNNDE-FOIQADDNSA-N 1 0 391.968 4.134 20 0 GIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc3cccc(Cl)c3n1)C2 ZINC001164806951 720100736 /nfs/dbraw/zinc/10/07/36/720100736.db2.gz ABYSBUIPWDOCBN-AVRDEDQJSA-N 1 0 385.939 4.073 20 0 GIADRO Fc1ccc2c(c1)cc(Cl)nc2N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164723174 720328646 /nfs/dbraw/zinc/32/86/46/720328646.db2.gz HILRLMJPIRVHQG-RBUKOAKNSA-N 1 0 382.870 4.276 20 0 GIADRO Clc1cc(-c2ccnc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c2)ccn1 ZINC001164729902 720354171 /nfs/dbraw/zinc/35/41/71/720354171.db2.gz YUQIDGSOKZBGCA-WOJBJXKFSA-N 1 0 391.906 4.045 20 0 GIADRO Cc1cc2nc(Cl)c(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)nc2cc1C ZINC001164725823 720404579 /nfs/dbraw/zinc/40/45/79/720404579.db2.gz NQUJRFXMEVLSIV-VQTJNVASSA-N 1 0 393.922 4.148 20 0 GIADRO COc1ccc2c(cc(Cl)nc2N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c1 ZINC001164726333 720410121 /nfs/dbraw/zinc/41/01/21/720410121.db2.gz BMNILVUSROPDFJ-UXHICEINSA-N 1 0 394.906 4.145 20 0 GIADRO Cc1c(Cl)ccc2ccc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)nc21 ZINC001164735415 720421315 /nfs/dbraw/zinc/42/13/15/720421315.db2.gz XGJVOCJJYQYCDM-VQTJNVASSA-N 1 0 378.907 4.445 20 0 GIADRO Cc1cccc2cc(Cl)nc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c12 ZINC001164731148 720473275 /nfs/dbraw/zinc/47/32/75/720473275.db2.gz WDLCCMKVTGITPC-OALUTQOASA-N 1 0 378.907 4.445 20 0 GIADRO Cc1cccc2ccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)nc12 ZINC001164833262 720506569 /nfs/dbraw/zinc/50/65/69/720506569.db2.gz CKJPKRAWFGARDL-YPAWHYETSA-N 1 0 389.547 4.118 20 0 GIADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc3ccccc3n1)CC2 ZINC001164837624 720660584 /nfs/dbraw/zinc/66/05/84/720660584.db2.gz DLDLXCBOXRAWEZ-JOCHJYFZSA-N 1 0 387.527 4.495 20 0 GIADRO Cc1sc2nc(C)nc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@@H]3C)c2c1C ZINC001164859343 720958805 /nfs/dbraw/zinc/95/88/05/720958805.db2.gz MWSXHGKMMVBEIE-AWEZNQCLSA-N 1 0 398.580 4.234 20 0 GIADRO CCOc1cnc(N2CCC3(CC2)CC[NH+](Cc2ccc(C)cc2)CC3)nc1 ZINC001164760414 721043098 /nfs/dbraw/zinc/04/30/98/721043098.db2.gz UQKVSPIEWGEYHM-UHFFFAOYSA-N 1 0 380.536 4.066 20 0 GIADRO Cc1ccc(C[NH+]2CCC3(CCN(c4ncc5ncsc5n4)CC3)CC2)cc1 ZINC001164759975 721044401 /nfs/dbraw/zinc/04/44/01/721044401.db2.gz SGIVRGFELSWEKZ-UHFFFAOYSA-N 1 0 393.560 4.277 20 0 GIADRO Cc1ccc2nc(Cl)cc(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)c2c1 ZINC001164783940 721403495 /nfs/dbraw/zinc/40/34/95/721403495.db2.gz IYEKBPLJMJWNJI-GJZGRUSLSA-N 1 0 384.936 4.221 20 0 GIADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(Cl)nc3c1CCC3)CC2 ZINC001164791960 721492634 /nfs/dbraw/zinc/49/26/34/721492634.db2.gz GYEFRKKIKSKJTK-UHFFFAOYSA-N 1 0 396.966 4.500 20 0 GIADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)cnc1Cl)CC2 ZINC001164792238 721494515 /nfs/dbraw/zinc/49/45/15/721494515.db2.gz LCDZEDSDDGVLPK-UHFFFAOYSA-N 1 0 392.334 4.059 20 0 GIADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nncc3ccc(F)cc31)CC2 ZINC001164792273 721496415 /nfs/dbraw/zinc/49/64/15/721496415.db2.gz MOFWLBGLLPIZNC-UHFFFAOYSA-N 1 0 391.494 4.045 20 0 GIADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc3[nH]ccc3cc1Cl)CC2 ZINC001164791985 721497021 /nfs/dbraw/zinc/49/70/21/721497021.db2.gz IKHOOXHZCOCGKY-UHFFFAOYSA-N 1 0 395.938 4.444 20 0 GIADRO Cc1cc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)nc2[nH]ccc21 ZINC001164795711 721497964 /nfs/dbraw/zinc/49/79/64/721497964.db2.gz JZSPUSKRGKVANB-UHFFFAOYSA-N 1 0 375.520 4.147 20 0 GIADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc(-c3ccncc3)cn1)CC2 ZINC001164796309 721499317 /nfs/dbraw/zinc/49/93/17/721499317.db2.gz PSQMHFUHDXNFKY-UHFFFAOYSA-N 1 0 399.542 4.420 20 0 GIADRO FC1(F)CCN(c2nccc3ccccc32)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164905619 721586797 /nfs/dbraw/zinc/58/67/97/721586797.db2.gz KGKMBTBLPJQWQJ-QFIPXVFZSA-N 1 0 394.469 4.368 20 0 GIADRO Cc1c[nH]c2nc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)ccc12 ZINC001164906697 721696860 /nfs/dbraw/zinc/69/68/60/721696860.db2.gz OWGIYLFQKMFFIF-NRFANRHFSA-N 1 0 397.473 4.004 20 0 GIADRO Cc1c[nH]c2nc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)ccc12 ZINC001164906698 721697218 /nfs/dbraw/zinc/69/72/18/721697218.db2.gz OWGIYLFQKMFFIF-OAQYLSRUSA-N 1 0 397.473 4.004 20 0 GIADRO Cc1cc2[nH]ccc2c(N2CCc3c(CN(C)Cc4ccco4)cncc3C2)[nH+]1 ZINC001164909599 721755950 /nfs/dbraw/zinc/75/59/50/721755950.db2.gz JLRUESKDLJIHDW-UHFFFAOYSA-N 1 0 387.487 4.054 20 0 GIADRO Cc1nc2ccsc2c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165024586 721799399 /nfs/dbraw/zinc/79/93/99/721799399.db2.gz MFRMXJNBCYIFBM-XKGZKEIXSA-N 1 0 393.560 4.132 20 0 GIADRO Cc1nc(C(C)C)cc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165025796 721801930 /nfs/dbraw/zinc/80/19/30/721801930.db2.gz OYCGETGZFUSMNX-CZTZKLFOSA-N 1 0 379.552 4.040 20 0 GIADRO Cc1nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc2ccccc12 ZINC001165027369 721809605 /nfs/dbraw/zinc/80/96/05/721809605.db2.gz UJYWKCYHXZLFCQ-ZEYPLWLESA-N 1 0 387.531 4.070 20 0 GIADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1cc(-c2ccccc2)c2ccccc2n1 ZINC001164930538 721877707 /nfs/dbraw/zinc/87/77/07/721877707.db2.gz DEWCJBOVYPWAAP-BJKOFHAPSA-N 1 0 386.543 4.116 20 0 GIADRO C[NH+](C)[C@H]1CCCN(C(F)(F)c2ccc3c(Cl)nc(Cl)nc3c2)C1 ZINC001165040474 721892390 /nfs/dbraw/zinc/89/23/90/721892390.db2.gz XBAHEBSMIOHBID-NSHDSACASA-N 1 0 375.250 4.012 20 0 GIADRO C[NH+](C)CC1CCN(C(F)(F)c2nc(Cl)c3cc(Cl)ccc3n2)CC1 ZINC001165042658 721943872 /nfs/dbraw/zinc/94/38/72/721943872.db2.gz PCRSZLHFHIXSIO-UHFFFAOYSA-N 1 0 389.277 4.260 20 0 GIADRO C[NH+](C)CC1CCN(c2cnc(Cl)nc2Oc2ccccc2Cl)CC1 ZINC001165042965 721951002 /nfs/dbraw/zinc/95/10/02/721951002.db2.gz VGGIPBKMTPVXBB-UHFFFAOYSA-N 1 0 381.307 4.354 20 0 GIADRO CCN(CC)C(=O)c1cc(Cl)nc(N2CCCC[C@H]2CC[NH+]2CCCC2)c1 ZINC001165049456 721971811 /nfs/dbraw/zinc/97/18/11/721971811.db2.gz TYAPDENCNIDZKV-SFHVURJKSA-N 1 0 392.975 4.062 20 0 GIADRO CC[NH+](CC)C1CCN([C@@H](F)Oc2cccc(-c3ccc(Cl)nn3)c2)CC1 ZINC001165054535 722006878 /nfs/dbraw/zinc/00/68/78/722006878.db2.gz PNRZEFPFTSKSBK-HXUWFJFHSA-N 1 0 392.906 4.235 20 0 GIADRO Cc1c[nH]c2nc(Cl)cc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)c12 ZINC001164955620 722021030 /nfs/dbraw/zinc/02/10/30/722021030.db2.gz KMJKDIUHVGFAQM-UHFFFAOYSA-N 1 0 395.938 4.412 20 0 GIADRO CC(C)c1c(Cl)ncnc1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164961381 722024216 /nfs/dbraw/zinc/02/42/16/722024216.db2.gz NKEFGCSLWXSTEU-UHFFFAOYSA-N 1 0 385.943 4.141 20 0 GIADRO Cc1nc2sccc2c(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164993630 722190955 /nfs/dbraw/zinc/19/09/55/722190955.db2.gz FYNQTZHKFBOFMW-OAQYLSRUSA-N 1 0 382.508 4.384 20 0 GIADRO Cc1c[nH]c2nc(Cl)nc(N3CCC[C@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)c12 ZINC001164994236 722196643 /nfs/dbraw/zinc/19/66/43/722196643.db2.gz LYWOCZQXLFFDTA-NRFANRHFSA-N 1 0 399.901 4.304 20 0 GIADRO CSc1nc(Cl)ncc1N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164995399 722199569 /nfs/dbraw/zinc/19/95/69/722199569.db2.gz NPIHSEJIQNBMQN-IBGZPJMESA-N 1 0 392.931 4.236 20 0 GIADRO Cc1cccc2ncnc(N3CCC[C@@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)c12 ZINC001164995352 722200803 /nfs/dbraw/zinc/20/08/03/722200803.db2.gz MHTVDLJXRKPSHR-HSZRJFAPSA-N 1 0 376.479 4.322 20 0 GIADRO CC(C)n1ccc2c1ncnc2N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164996220 722206523 /nfs/dbraw/zinc/20/65/23/722206523.db2.gz RREYPCUJPYHSEU-QHCPKHFHSA-N 1 0 393.510 4.396 20 0 GIADRO Cc1cc2cccnc2c(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164995532 722211152 /nfs/dbraw/zinc/21/11/52/722211152.db2.gz JPKAKNCBJQHNRG-QHCPKHFHSA-N 1 0 376.479 4.322 20 0 GIADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2nccc4c5c([nH]c42)CCC5)C3)c1 ZINC001164997514 722211946 /nfs/dbraw/zinc/21/19/46/722211946.db2.gz RBCXRRWQPJJQDP-XMMPIXPASA-N 1 0 390.506 4.436 20 0 GIADRO CC(C)OC(=O)c1cccnc1N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164997495 722212409 /nfs/dbraw/zinc/21/24/09/722212409.db2.gz QWAAZNFOFYBQPN-HSZRJFAPSA-N 1 0 397.494 4.031 20 0 GIADRO CCO[C@@H]1C[C@]([NH3+])(C(=O)Nc2nc(-c3ccccc3)c(C(C)C)s2)C1(C)C ZINC000187341521 823046159 /nfs/dbraw/zinc/04/61/59/823046159.db2.gz SQKJFQSQEYMFKU-VFNWGFHPSA-N 1 0 387.549 4.405 20 0 GIADRO COc1c(Br)cccc1C[NH2+][C@@H](C)C[C@@H](O)c1ccc(F)cc1 ZINC000187345752 823046763 /nfs/dbraw/zinc/04/67/63/823046763.db2.gz QSBHGJOWCRKVAZ-YVEFUNNKSA-N 1 0 382.273 4.199 20 0 GIADRO O=c1cc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)c2cc3c(cc2o1)CCC3 ZINC000175815398 823046875 /nfs/dbraw/zinc/04/68/75/823046875.db2.gz VAORSEYMOTZVOU-AZUAARDMSA-N 1 0 395.524 4.431 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)NC[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000458494389 823047493 /nfs/dbraw/zinc/04/74/93/823047493.db2.gz GIHCLOXJTVDQIM-JKSUJKDBSA-N 1 0 391.503 4.190 20 0 GIADRO C[C@H](Cc1cccc(F)c1)N(C)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000458505330 823048720 /nfs/dbraw/zinc/04/87/20/823048720.db2.gz VXPWQVDUKJHZJI-QGZVFWFLSA-N 1 0 375.532 4.195 20 0 GIADRO COc1ccc([C@@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)c2ccco2)cc1 ZINC000458510534 823049171 /nfs/dbraw/zinc/04/91/71/823049171.db2.gz PXZMFCMNMUWCDX-JOCHJYFZSA-N 1 0 397.519 4.084 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH2+]Cc1ccc(N2CCOC2=O)cc1 ZINC000187357583 823049213 /nfs/dbraw/zinc/04/92/13/823049213.db2.gz QSHFYSAATYXRIS-UHFFFAOYSA-N 1 0 389.455 4.004 20 0 GIADRO CSCc1cccc(CNC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000187364082 823050251 /nfs/dbraw/zinc/05/02/51/823050251.db2.gz HFQQVIYUWZLMKI-VQIMIIECSA-N 1 0 375.582 4.002 20 0 GIADRO CCCOc1ccc(C[NH2+][C@H]2CCC[C@H](N3CCCC3=O)C2)c(OCCC)c1 ZINC000570528561 823050343 /nfs/dbraw/zinc/05/03/43/823050343.db2.gz DHQMLPLKEUPBCK-PMACEKPBSA-N 1 0 388.552 4.287 20 0 GIADRO O[C@@H](C[C@H]1CCC[N@@H+]1CCCc1nc(-c2ccccc2)no1)c1cccs1 ZINC000175834391 823050825 /nfs/dbraw/zinc/05/08/25/823050825.db2.gz DXOCUIWFYGSPQF-MSOLQXFVSA-N 1 0 383.517 4.319 20 0 GIADRO C[C@H]([NH2+]CC1(CS(C)(=O)=O)CC1)c1ccc(-c2c(F)cccc2F)cc1 ZINC000570556383 823054049 /nfs/dbraw/zinc/05/40/49/823054049.db2.gz DWBFJKQVWHFGPD-AWEZNQCLSA-N 1 0 379.472 4.107 20 0 GIADRO COc1cc([C@H](C)[NH2+]C2CCN(Cc3ccccn3)CC2)ccc1OC(C)C ZINC000570545362 823052004 /nfs/dbraw/zinc/05/20/04/823052004.db2.gz QIIILNYWCPCXAT-SFHVURJKSA-N 1 0 383.536 4.193 20 0 GIADRO C[C@@H]1C[N@H+](CC2CCN(C(=O)OC(C)(C)C)CC2)C[C@H](c2ccsc2)O1 ZINC000120719822 823052097 /nfs/dbraw/zinc/05/20/97/823052097.db2.gz ULTPFYVZUDNTPL-CRAIPNDOSA-N 1 0 380.554 4.157 20 0 GIADRO Cc1ccc(Oc2ccc(NC(=O)[C@@H]([NH2+]C3CCOCC3)C(C)C)cn2)cc1C ZINC000175838994 823052385 /nfs/dbraw/zinc/05/23/85/823052385.db2.gz PYVXQHXXKPGKPS-QFIPXVFZSA-N 1 0 397.519 4.222 20 0 GIADRO Cc1csc([C@@H](NC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)C2CC2)n1 ZINC000175841587 823052507 /nfs/dbraw/zinc/05/25/07/823052507.db2.gz KMXWYZSCEPOFQF-FQEVSTJZSA-N 1 0 398.576 4.209 20 0 GIADRO Cc1cc(Br)cc([C@H](C)[NH2+]Cc2cn(C)nc2C(F)(F)F)c1O ZINC000187387692 823054285 /nfs/dbraw/zinc/05/42/85/823054285.db2.gz CVSMOEFSACTHBR-VIFPVBQESA-N 1 0 392.219 4.066 20 0 GIADRO C[C@H]([NH2+]C[C@H](c1ccccc1)C(C)(C)CO)c1ncc(Br)cc1F ZINC000187385810 823053754 /nfs/dbraw/zinc/05/37/54/823053754.db2.gz NCVJHLYPJFNHMD-XJKSGUPXSA-N 1 0 395.316 4.436 20 0 GIADRO C[C@H]([NH2+]CC1([C@@H](O)c2ccccc2)CC1)c1ncc(Br)cc1F ZINC000187393398 823055140 /nfs/dbraw/zinc/05/51/40/823055140.db2.gz HHNPUJFMFKAYBF-SJCJKPOMSA-N 1 0 379.273 4.148 20 0 GIADRO CN(CCCn1ccnc1)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000120740556 823055229 /nfs/dbraw/zinc/05/52/29/823055229.db2.gz QCTCDVWOAVNJDI-UHFFFAOYSA-N 1 0 383.540 4.202 20 0 GIADRO CC1(C)CCC[NH2+][C@@H]1C(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1 ZINC000570562562 823055228 /nfs/dbraw/zinc/05/52/28/823055228.db2.gz YAKRICQMZVLNSK-GOSISDBHSA-N 1 0 391.943 4.119 20 0 GIADRO O=C(c1ccc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)cc1)N1CCCC1 ZINC000175850065 823055258 /nfs/dbraw/zinc/05/52/58/823055258.db2.gz FMJYJZHERYYXJD-VQTJNVASSA-N 1 0 384.545 4.072 20 0 GIADRO Cc1ccc([C@@H](NC(=O)C[N@H+](C)CCC2CCOCC2)c2cccs2)cc1 ZINC000120743695 823055742 /nfs/dbraw/zinc/05/57/42/823055742.db2.gz ABUFFOSZFHDURF-JOCHJYFZSA-N 1 0 386.561 4.011 20 0 GIADRO CC(C)(C)OC(=O)N1CCC(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)CC1 ZINC000175851938 823055808 /nfs/dbraw/zinc/05/58/08/823055808.db2.gz GGLHCWDHAMJACF-MSOLQXFVSA-N 1 0 394.581 4.283 20 0 GIADRO C[C@@H](CC(=O)N(C)C)[NH2+]C[C@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000120746699 823056284 /nfs/dbraw/zinc/05/62/84/823056284.db2.gz DANRWOPAYKSSLV-YJBOKZPZSA-N 1 0 383.923 4.410 20 0 GIADRO CC[S@@](=O)[C@H]1CCC[C@H]([NH2+]Cc2csc(COc3ccc(C)cc3)n2)C1 ZINC000175865764 823058903 /nfs/dbraw/zinc/05/89/03/823058903.db2.gz JXNVUYGBNYTEIB-DOUBQNQPSA-N 1 0 392.590 4.200 20 0 GIADRO CCCC[C@H](C)N(CCCC)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000458564150 823056719 /nfs/dbraw/zinc/05/67/19/823056719.db2.gz ZJWRNTIUMASIFY-TYPHKJRUSA-N 1 0 381.605 4.145 20 0 GIADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Nc1ccc(F)c(F)c1F ZINC000175865218 823058684 /nfs/dbraw/zinc/05/86/84/823058684.db2.gz NINRKPXANKGDHH-UHFFFAOYSA-N 1 0 385.352 4.232 20 0 GIADRO CCO[C@@H]1CCN(C(=O)NC[C@H](CC(C)C)[NH2+][C@@H](C)c2ccccc2)C[C@H]1C ZINC000458569145 823057371 /nfs/dbraw/zinc/05/73/71/823057371.db2.gz VKWRTTCPNWNNRE-XMGTWHOFSA-N 1 0 389.584 4.208 20 0 GIADRO Cc1ncc(NC(=O)N[C@@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cn1 ZINC000570584932 823057578 /nfs/dbraw/zinc/05/75/78/823057578.db2.gz AMVYWCZQHKTBIR-HAYQSNGGSA-N 1 0 399.926 4.174 20 0 GIADRO CCO[C@H]1C[C@@]([NH3+])(C(=O)Nc2ccc(Sc3nc(C)cs3)cc2)C1(C)C ZINC000187408457 823057752 /nfs/dbraw/zinc/05/77/52/823057752.db2.gz AAGRRTFHXBGRBB-HNAYVOBHSA-N 1 0 391.562 4.074 20 0 GIADRO Cc1ccccc1C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)C1CC1 ZINC000570588074 823058165 /nfs/dbraw/zinc/05/81/65/823058165.db2.gz CJKHQSAVKNPBFO-SELNLUPBSA-N 1 0 379.548 4.115 20 0 GIADRO O[C@H](C[NH2+]Cc1ccc(OCc2cccc(F)c2)cc1)COc1ccccc1F ZINC000570594050 823059052 /nfs/dbraw/zinc/05/90/52/823059052.db2.gz HHKQQGPASWKWQW-HXUWFJFHSA-N 1 0 399.437 4.073 20 0 GIADRO COc1ccc(-c2ocnc2-c2nc(-c3ccc(F)c(C[NH+](C)C)c3)no2)cc1 ZINC000570603903 823060994 /nfs/dbraw/zinc/06/09/94/823060994.db2.gz XKGNYOHXTYWEFM-UHFFFAOYSA-N 1 0 394.406 4.268 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000458601083 823061983 /nfs/dbraw/zinc/06/19/83/823061983.db2.gz DJOYPICFLVAEGU-LJQANCHMSA-N 1 0 398.938 4.151 20 0 GIADRO O=C(CC[N@@H+]1CC[C@H](Cc2ccccc2)C1)Nc1ccccc1Br ZINC000570613106 823062209 /nfs/dbraw/zinc/06/22/09/823062209.db2.gz FASDUWXASYBLCK-QGZVFWFLSA-N 1 0 387.321 4.342 20 0 GIADRO O=C(N1CC[C@@H](C[NH+]2CCCCC2)C1)C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000187434071 823062978 /nfs/dbraw/zinc/06/29/78/823062978.db2.gz VTEMBMNTWRMBBM-INIZCTEOSA-N 1 0 380.454 4.071 20 0 GIADRO CSCc1cccc(NC(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)c1 ZINC000120804122 823067596 /nfs/dbraw/zinc/06/75/96/823067596.db2.gz FMZWVBZXVYRPHQ-INIZCTEOSA-N 1 0 384.549 4.292 20 0 GIADRO C[C@@H](c1nc2ccccc2s1)[N@H+](C)CCC(=O)N1CCc2sccc2C1 ZINC000055899655 823063723 /nfs/dbraw/zinc/06/37/23/823063723.db2.gz RLWXJOSAEVXGKH-AWEZNQCLSA-N 1 0 385.558 4.326 20 0 GIADRO CCOc1ccc([C@@H]2CCC[N@@H+]2CCC(=O)N2CCc3sccc3C2)cc1 ZINC000055899726 823063787 /nfs/dbraw/zinc/06/37/87/823063787.db2.gz VGTKUAGAGMMPLI-FQEVSTJZSA-N 1 0 384.545 4.259 20 0 GIADRO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)N1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000458616569 823064255 /nfs/dbraw/zinc/06/42/55/823064255.db2.gz SEZGPXSVNBYYPR-UXLLHSPISA-N 1 0 398.473 4.059 20 0 GIADRO Cc1ccc(CNC(=O)C2CC[NH+](Cc3ccccc3OC(C)C)CC2)cc1F ZINC000055903343 823064431 /nfs/dbraw/zinc/06/44/31/823064431.db2.gz GRMKLIQAIOQTSE-UHFFFAOYSA-N 1 0 398.522 4.450 20 0 GIADRO Cn1nccc1[C@H]1CCC[C@H]([NH2+]CC2(c3ccc4c(c3)OCCO4)CCCC2)C1 ZINC000570638589 823065462 /nfs/dbraw/zinc/06/54/62/823065462.db2.gz WKZFOYINBZEVRA-ICSRJNTNSA-N 1 0 395.547 4.319 20 0 GIADRO [NH3+]CC12CCC(CC1)CN2C(=O)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000570641632 823065949 /nfs/dbraw/zinc/06/59/49/823065949.db2.gz VGPSQMNVAIDAOS-IZCOPSDLSA-N 1 0 381.545 4.076 20 0 GIADRO COC[C@@H](C)n1ccc(NC(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)n1 ZINC000187456558 823066999 /nfs/dbraw/zinc/06/69/99/823066999.db2.gz AMPQGQKKNDSBEZ-QGZVFWFLSA-N 1 0 399.539 4.499 20 0 GIADRO C[C@H](NC(=O)N1CCC[C@H]1c1ccc(F)cc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000458632438 823067265 /nfs/dbraw/zinc/06/72/65/823067265.db2.gz NLHAAAKGNMBMBD-QYWGDWMGSA-N 1 0 391.506 4.464 20 0 GIADRO C[C@H](NC(=O)N[C@@H]1CCc2cc(F)c(F)c(F)c21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000458638198 823068025 /nfs/dbraw/zinc/06/80/25/823068025.db2.gz SYCFWHDNIDQVBA-RVSPLBMKSA-N 1 0 395.469 4.043 20 0 GIADRO CC[C@@H](CC(F)(F)F)NC(=O)NC[C@H](c1ccc(SC)cc1)[NH+](C)C ZINC000458638783 823068291 /nfs/dbraw/zinc/06/82/91/823068291.db2.gz ATYRQXULHURDOE-DZGCQCFKSA-N 1 0 377.476 4.041 20 0 GIADRO CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000570665385 823069271 /nfs/dbraw/zinc/06/92/71/823069271.db2.gz WLKOINODFCEESB-QGZVFWFLSA-N 1 0 382.470 4.361 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)NC[C@@H](c1ccccc1)C(F)(F)F ZINC000458652280 823069964 /nfs/dbraw/zinc/06/99/64/823069964.db2.gz CDBVZFSKAVXEQS-KRWDZBQOSA-N 1 0 399.482 4.167 20 0 GIADRO CCC(CC)c1cc(CNC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)on1 ZINC000175908880 823070130 /nfs/dbraw/zinc/07/01/30/823070130.db2.gz HFFMKFIFKDXKLY-GOSISDBHSA-N 1 0 390.572 4.376 20 0 GIADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C2(Cc3ccccc3Cl)CC2)cc1 ZINC000187473536 823070303 /nfs/dbraw/zinc/07/03/03/823070303.db2.gz YQMDTMGZQKLZGB-UHFFFAOYSA-N 1 0 399.922 4.192 20 0 GIADRO Cc1nc(CCCC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)cs1 ZINC000175915516 823071678 /nfs/dbraw/zinc/07/16/78/823071678.db2.gz MRZFVONUAIAZGW-UHFFFAOYSA-N 1 0 379.957 4.018 20 0 GIADRO CC(C)[C@@H]1[C@@H](C(C)C)CN1C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000458721902 823078205 /nfs/dbraw/zinc/07/82/05/823078205.db2.gz ADHBICFBNJHBMN-OPQOLIRYSA-N 1 0 389.506 4.114 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000570740366 823079007 /nfs/dbraw/zinc/07/90/07/823079007.db2.gz CCHJDZAMHMYQPP-ZFWWWQNUSA-N 1 0 392.544 4.347 20 0 GIADRO COc1ccc(-c2ccc(C)c(NC(=O)NC[C@H]3CC[N@H+](CC(C)C)C3)c2)cn1 ZINC000570742868 823079261 /nfs/dbraw/zinc/07/92/61/823079261.db2.gz IMOASAOAVDDGQG-GOSISDBHSA-N 1 0 396.535 4.165 20 0 GIADRO COc1cc(-c2noc(C[NH2+][C@H]3CCC(C)(C)C[C@@H]3C)n2)cc(OC)c1OC ZINC000120867687 823079593 /nfs/dbraw/zinc/07/95/93/823079593.db2.gz AZNDJPDQOYTSJF-ZFWWWQNUSA-N 1 0 389.496 4.067 20 0 GIADRO COc1cccc(/C(C)=C/C(=O)Nc2ccccc2NC2CC[NH+](C)CC2)c1 ZINC000175949630 823080130 /nfs/dbraw/zinc/08/01/30/823080130.db2.gz VWVSLDXTTGFHBA-BMRADRMJSA-N 1 0 379.504 4.243 20 0 GIADRO Cc1coc(-c2ccc(C)c(NC(=O)NC[C@@H](c3ccccc3)[NH+](C)C)c2)n1 ZINC000120872025 823080163 /nfs/dbraw/zinc/08/01/63/823080163.db2.gz PYSOZGDWZFWVRF-FQEVSTJZSA-N 1 0 378.476 4.383 20 0 GIADRO COc1ccc([C@H](C)CC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000175952577 823081068 /nfs/dbraw/zinc/08/10/68/823081068.db2.gz PMWLSMZZVNCMJO-QZTJIDSGSA-N 1 0 386.561 4.279 20 0 GIADRO COc1ccc([C@@H](C)CC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000175952557 823081075 /nfs/dbraw/zinc/08/10/75/823081075.db2.gz PMWLSMZZVNCMJO-ZWKOTPCHSA-N 1 0 386.561 4.279 20 0 GIADRO CC[C@H](C)[NH2+][C@H](CNC(=O)N1CC[C@@H](C(F)(F)F)C[C@@H]1C)c1ccco1 ZINC000458765321 823082729 /nfs/dbraw/zinc/08/27/29/823082729.db2.gz KMJWEGWMOCXFQC-BYNSBNAKSA-N 1 0 375.435 4.081 20 0 GIADRO Cc1cc(C[NH+]2CCC(c3nnc4ccccn43)CC2)ccc1Br ZINC000120897050 823083665 /nfs/dbraw/zinc/08/36/65/823083665.db2.gz JZLXEXIYPURQLV-UHFFFAOYSA-N 1 0 385.309 4.180 20 0 GIADRO CCOc1ccc(CCC(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000570766686 823084101 /nfs/dbraw/zinc/08/41/01/823084101.db2.gz VEWQBZROWVYBGP-HSZRJFAPSA-N 1 0 394.559 4.436 20 0 GIADRO C[C@H](N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ncc(Br)cc1F ZINC000187535969 823084319 /nfs/dbraw/zinc/08/43/19/823084319.db2.gz RFEWNOBBXXOBQE-MELADBBJSA-N 1 0 384.337 4.287 20 0 GIADRO C/C(=C\c1ccc(F)cc1)C(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000175969686 823084707 /nfs/dbraw/zinc/08/47/07/823084707.db2.gz VMNSMIPZVAOJEV-QGUORLBXSA-N 1 0 394.490 4.333 20 0 GIADRO c1ccc(COc2ccccc2C[NH+]2CCC(c3nnc4ccccn43)CC2)nc1 ZINC000120906474 823084823 /nfs/dbraw/zinc/08/48/23/823084823.db2.gz MJWFQXTWNYUQJU-UHFFFAOYSA-N 1 0 399.498 4.083 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@@]23CCc2ccccc23)[C@@H]1c1cccs1 ZINC000175970704 823084931 /nfs/dbraw/zinc/08/49/31/823084931.db2.gz UGNHJYBRJWVMRD-GUBFDYSESA-N 1 0 380.557 4.151 20 0 GIADRO 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 823085051 /nfs/dbraw/zinc/08/50/51/823085051.db2.gz XLQYCPCKHKLRBQ-NLGAHDLLSA-N 1 0 375.944 4.304 20 0 GIADRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)Nc1ccccc1O[C@@H]1CCOC1 ZINC000187539305 823085223 /nfs/dbraw/zinc/08/52/23/823085223.db2.gz VAWNZZABSBWSAU-GOSISDBHSA-N 1 0 389.540 4.021 20 0 GIADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)NC[C@H](c2ccccc2)C2CC2)CC1 ZINC000458785193 823085259 /nfs/dbraw/zinc/08/52/59/823085259.db2.gz AVDIKDYZEZWLGJ-JOCHJYFZSA-N 1 0 381.520 4.079 20 0 GIADRO O=C(c1ccc(C[NH2+][C@H]2CC[C@H](c3cccc(Cl)c3)C2)cc1)N1CCOCC1 ZINC000570781903 823086541 /nfs/dbraw/zinc/08/65/41/823086541.db2.gz 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COc1ccc2ccccc2c1-c1cc(C[N@@H+]2CC[C@H](c3nccn3C)C2)on1 ZINC000570812846 823090517 /nfs/dbraw/zinc/09/05/17/823090517.db2.gz KKDGWFYCKSIBEB-KRWDZBQOSA-N 1 0 388.471 4.226 20 0 GIADRO COc1cc(C)c([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc(Cl)c2)cc1OC ZINC000056154181 823090742 /nfs/dbraw/zinc/09/07/42/823090742.db2.gz LOTCCRUSIBBDDD-KBPBESRZSA-N 1 0 376.884 4.343 20 0 GIADRO c1nc(-c2ccccc2)[nH]c1C[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000175995072 823091071 /nfs/dbraw/zinc/09/10/71/823091071.db2.gz XRRBNDNSDGKCMK-UHFFFAOYSA-N 1 0 375.501 4.318 20 0 GIADRO CCCC[N@H+](C)CC1CCN([C@@H](C)c2nc(Cc3ccc(F)cc3)no2)CC1 ZINC000120984584 823097628 /nfs/dbraw/zinc/09/76/28/823097628.db2.gz GMZOCELXPYDGKQ-KRWDZBQOSA-N 1 0 388.531 4.304 20 0 GIADRO CCCOc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccnc2Cl)cc1OC ZINC000056161921 823092972 /nfs/dbraw/zinc/09/29/72/823092972.db2.gz HFEGNHHPYFGJMP-ZIAGYGMSSA-N 1 0 391.899 4.210 20 0 GIADRO CCOc1cccc([C@H](C)NC(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)c1 ZINC000570833749 823093159 /nfs/dbraw/zinc/09/31/59/823093159.db2.gz CTGNCUGIYOTPIH-IAOVAPTHSA-N 1 0 386.458 4.171 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(OC(C)C)cc2)c1 ZINC000056163524 823093673 /nfs/dbraw/zinc/09/36/73/823093673.db2.gz MEKPPBFRHWJWGF-CVEARBPZSA-N 1 0 383.492 4.110 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)CC[N@@H+]1C ZINC000458830340 823093662 /nfs/dbraw/zinc/09/36/62/823093662.db2.gz CHYNDJXBYRLLPX-RPCCPQHDSA-N 1 0 384.351 4.221 20 0 GIADRO CCN(C(=O)NCCC1(COC)CCC1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000458830566 823093759 /nfs/dbraw/zinc/09/37/59/823093759.db2.gz NZSVGWARUCPIMK-CTNGQTDRSA-N 1 0 387.568 4.060 20 0 GIADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000458832744 823094191 /nfs/dbraw/zinc/09/41/91/823094191.db2.gz HRFYNXSYUYDDDH-ZDFLXESQSA-N 1 0 384.351 4.079 20 0 GIADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000458832741 823094337 /nfs/dbraw/zinc/09/43/37/823094337.db2.gz HRFYNXSYUYDDDH-UALQAHIBSA-N 1 0 384.351 4.079 20 0 GIADRO C[C@H](CCNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C)c1cccc(C(F)(F)F)c1 ZINC000120965743 823094446 /nfs/dbraw/zinc/09/44/46/823094446.db2.gz RKRZQHIBPSZYIH-VKJFTORMSA-N 1 0 385.474 4.181 20 0 GIADRO Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000570846238 823094827 /nfs/dbraw/zinc/09/48/27/823094827.db2.gz UEYRTBNBQOKZPL-QGZVFWFLSA-N 1 0 397.320 4.328 20 0 GIADRO Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000570846217 823094852 /nfs/dbraw/zinc/09/48/52/823094852.db2.gz UEYRTBNBQOKZPL-KRWDZBQOSA-N 1 0 397.320 4.328 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cc(C)no2)ccc1OCCC(C)C ZINC000056183181 823097897 /nfs/dbraw/zinc/09/78/97/823097897.db2.gz VUWKNCZKCLIEEZ-CVEARBPZSA-N 1 0 389.496 4.094 20 0 GIADRO CC[C@]1(CO)CCC[N@H+](Cc2coc(-c3ccc(Br)cc3)n2)C1 ZINC000187599022 823095367 /nfs/dbraw/zinc/09/53/67/823095367.db2.gz DXNWNXFFMQICJF-SFHVURJKSA-N 1 0 379.298 4.089 20 0 GIADRO O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CCC(CCCn2ccnc2)CC1 ZINC000570848840 823095366 /nfs/dbraw/zinc/09/53/66/823095366.db2.gz QJFGFOMRDBPKEA-UHFFFAOYSA-N 1 0 394.563 4.202 20 0 GIADRO O=C(NCC[C@H](c1ccccc1)C(F)(F)F)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000458837496 823095438 /nfs/dbraw/zinc/09/54/38/823095438.db2.gz GEMOJLLAQIOXIR-LJQANCHMSA-N 1 0 397.485 4.383 20 0 GIADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)NC[C@]2(C)C[C@H]2c2ccccc2)CC1 ZINC000458838519 823095691 /nfs/dbraw/zinc/09/56/91/823095691.db2.gz XVHIUSLDCRSKJW-GMAHTHKFSA-N 1 0 381.520 4.079 20 0 GIADRO C[C@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)NCCCCC[NH+]1CCCC1 ZINC000458841191 823096010 /nfs/dbraw/zinc/09/60/10/823096010.db2.gz FSCVJEWRYRHWHF-PXNSSMCTSA-N 1 0 393.959 4.078 20 0 GIADRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)c1cc2ccc(OC)cc2nc1C)c1ccco1 ZINC000570855686 823096244 /nfs/dbraw/zinc/09/62/44/823096244.db2.gz XXMBFONBKRQKJZ-VLIAUNLRSA-N 1 0 381.476 4.004 20 0 GIADRO COc1ccccc1CC1CCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000176022182 823098138 /nfs/dbraw/zinc/09/81/38/823098138.db2.gz DNYQRWZVOKWGDL-UHFFFAOYSA-N 1 0 399.579 4.066 20 0 GIADRO O=C(NCCCCC[NH+]1CCCC1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000458848343 823097294 /nfs/dbraw/zinc/09/72/94/823097294.db2.gz KPAPZZRFYUIOFX-SFHVURJKSA-N 1 0 386.565 4.409 20 0 GIADRO COc1cccc(C[NH2+][C@H](C)CC(=O)Nc2ccccc2C(F)(F)F)c1OC ZINC000121011902 823102701 /nfs/dbraw/zinc/10/27/01/823102701.db2.gz FMDBMPKOHQBCQS-CYBMUJFWSA-N 1 0 396.409 4.230 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(OC(C)(C)C)cc1 ZINC000176024642 823098583 /nfs/dbraw/zinc/09/85/83/823098583.db2.gz LBAOGVXUZYXSDI-FQEVSTJZSA-N 1 0 380.532 4.458 20 0 GIADRO CCC(CC)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000056207102 823103239 /nfs/dbraw/zinc/10/32/39/823103239.db2.gz UUHWUTYFRWQFEO-JKSUJKDBSA-N 1 0 399.510 4.422 20 0 GIADRO CS(=O)(=O)C1(C[NH2+][C@@H](Cc2cccc(F)c2)c2cccc(F)c2)CCCC1 ZINC000570873360 823100031 /nfs/dbraw/zinc/10/00/31/823100031.db2.gz FWOBLCYXUMMOOC-FQEVSTJZSA-N 1 0 393.499 4.196 20 0 GIADRO CCCC[NH+]1CCC(NC(=O)Nc2cccc(OCC(F)(F)F)c2C)CC1 ZINC000176030981 823100342 /nfs/dbraw/zinc/10/03/42/823100342.db2.gz TWHFWLNICSBTOC-UHFFFAOYSA-N 1 0 387.446 4.322 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000056196025 823100712 /nfs/dbraw/zinc/10/07/12/823100712.db2.gz JSHDWRTWCNHDGO-DLBZAZTESA-N 1 0 396.491 4.263 20 0 GIADRO Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H](c2ccco2)N2CCCCC2)c1C ZINC000121003288 823101071 /nfs/dbraw/zinc/10/10/71/823101071.db2.gz GFCQCACZXMNTBD-NQIIRXRSSA-N 1 0 383.536 4.430 20 0 GIADRO CC(F)(F)CCCNC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000458886360 823102079 /nfs/dbraw/zinc/10/20/79/823102079.db2.gz HFUQOFMNJZGCBM-UHFFFAOYSA-N 1 0 379.495 4.120 20 0 GIADRO CCOc1cc(C[NH2+]Cc2c[nH]nc2-c2ccc(C)o2)ccc1OC(F)F ZINC000121014857 823103210 /nfs/dbraw/zinc/10/32/10/823103210.db2.gz RFDLALNKMYUDHZ-UHFFFAOYSA-N 1 0 377.391 4.268 20 0 GIADRO CSc1ccc([C@@H](CNC(=O)N2CC(C)(C)[C@@H]2c2cccnc2)[NH+](C)C)cc1 ZINC000458897960 823103606 /nfs/dbraw/zinc/10/36/06/823103606.db2.gz PMTVGIDJMLYPGE-UXHICEINSA-N 1 0 398.576 4.199 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc(Cl)cc2F)[C@@H]1c1cccs1 ZINC000187644034 823104001 /nfs/dbraw/zinc/10/40/01/823104001.db2.gz PQPWAEBZBIGDMX-RDTXWAMCSA-N 1 0 395.931 4.423 20 0 GIADRO Cc1sc(CC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)nc1C(C)C ZINC000570896246 823104333 /nfs/dbraw/zinc/10/43/33/823104333.db2.gz KHKIIDHJDNUBLJ-LJQANCHMSA-N 1 0 385.577 4.098 20 0 GIADRO Cc1noc(COc2ccc(N[C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)C3)cc2)n1 ZINC000121024844 823104768 /nfs/dbraw/zinc/10/47/68/823104768.db2.gz SHMWFPJRZNWXKR-OXQOHEQNSA-N 1 0 378.476 4.032 20 0 GIADRO CC(=O)Nc1ccc(C)c(C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)c1 ZINC000187648488 823104900 /nfs/dbraw/zinc/10/49/00/823104900.db2.gz QVKNLMCEVUHVOO-UHFFFAOYSA-N 1 0 393.531 4.115 20 0 GIADRO CCN(C(=O)NCC(C)(C)c1ccccn1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000458915200 823105534 /nfs/dbraw/zinc/10/55/34/823105534.db2.gz CTNMMCDMPJLDBO-TZIWHRDSSA-N 1 0 394.563 4.226 20 0 GIADRO CSCC1CCC(NC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000458925135 823107177 /nfs/dbraw/zinc/10/71/77/823107177.db2.gz CAHTUPDCTKVWGX-NYLDSWQDSA-N 1 0 389.609 4.072 20 0 GIADRO CCC(CC)[C@H](NC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C)c1ccccc1 ZINC000176052870 823107587 /nfs/dbraw/zinc/10/75/87/823107587.db2.gz GRFRKESPBZHCEL-NRFANRHFSA-N 1 0 396.535 4.146 20 0 GIADRO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000187664516 823108765 /nfs/dbraw/zinc/10/87/65/823108765.db2.gz CPVXXZWYRGABNM-KRWDZBQOSA-N 1 0 398.528 4.371 20 0 GIADRO CN(C(=O)NCC[C@@H]1CCc2ccccc21)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458936727 823108897 /nfs/dbraw/zinc/10/88/97/823108897.db2.gz YZFLOHXQVJWXNO-KRWDZBQOSA-N 1 0 397.485 4.165 20 0 GIADRO Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000176059935 823109309 /nfs/dbraw/zinc/10/93/09/823109309.db2.gz FBQJXZGOIROCIK-FQEVSTJZSA-N 1 0 395.478 4.191 20 0 GIADRO CC[C@@H]1CCCC[C@@H]1CNC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458940826 823109437 /nfs/dbraw/zinc/10/94/37/823109437.db2.gz LPNYKYIRTNCJNI-HZPDHXFCSA-N 1 0 377.495 4.261 20 0 GIADRO COc1cccc(C[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3F)CC2)C2CC2)c1 ZINC000121061437 823111110 /nfs/dbraw/zinc/11/11/10/823111110.db2.gz XOGVWOPADNNSIV-HSZRJFAPSA-N 1 0 396.506 4.050 20 0 GIADRO CCOc1ccc(CC[NH2+][C@@H](c2ncc[nH]2)c2ccc(F)cc2)cc1OCC ZINC000187691427 823114043 /nfs/dbraw/zinc/11/40/43/823114043.db2.gz OPAVFMOMJVDIFO-OAQYLSRUSA-N 1 0 383.467 4.268 20 0 GIADRO C[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccc(F)c2ccccc21 ZINC000570960850 823112235 /nfs/dbraw/zinc/11/22/35/823112235.db2.gz JQDQVZDPKOVNRJ-HKUYNNGSSA-N 1 0 391.490 4.463 20 0 GIADRO O=C(CCc1cscn1)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000570968002 823112873 /nfs/dbraw/zinc/11/28/73/823112873.db2.gz LLIIPTRMQHFARZ-UHFFFAOYSA-N 1 0 375.563 4.292 20 0 GIADRO C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC000176072720 823112903 /nfs/dbraw/zinc/11/29/03/823112903.db2.gz CPVIHZJNDCYRNE-AZUAARDMSA-N 1 0 397.563 4.294 20 0 GIADRO C[C@H](c1cccc(O)c1)N(C)C(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000458981333 823112979 /nfs/dbraw/zinc/11/29/79/823112979.db2.gz UCHVZCLPLCTCGK-GOSISDBHSA-N 1 0 381.520 4.149 20 0 GIADRO CCc1ccccc1NC(=O)[C@H](C)N(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000570970695 823113568 /nfs/dbraw/zinc/11/35/68/823113568.db2.gz PUFHLMARVAHWBO-RBUKOAKNSA-N 1 0 399.604 4.400 20 0 GIADRO COc1ccc2oc([C@H](C)NC(=O)N(C)[C@@H](C)C3CC[NH+](C)CC3)c(C)c2c1 ZINC000570976345 823114445 /nfs/dbraw/zinc/11/44/45/823114445.db2.gz TVUXLBZTNJEXFR-HOTGVXAUSA-N 1 0 387.524 4.183 20 0 GIADRO CCN(C(=O)NCCCc1ncccc1C)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000459000639 823115001 /nfs/dbraw/zinc/11/50/01/823115001.db2.gz ZPPRUGKPKTUKHC-UNMCSNQZSA-N 1 0 394.563 4.190 20 0 GIADRO COc1ccc([C@H](CN[C@@H](c2ncc[nH]2)c2ccc(F)cc2)[NH+]2CCCC2)cc1 ZINC000187696299 823115045 /nfs/dbraw/zinc/11/50/45/823115045.db2.gz LEOUQCPTYUMLBS-FCHUYYIVSA-N 1 0 394.494 4.074 20 0 GIADRO Cc1cc(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)ccc1NC(=O)c1cccs1 ZINC000121084418 823115441 /nfs/dbraw/zinc/11/54/41/823115441.db2.gz WWIYQEMCYCMLHV-QGZVFWFLSA-N 1 0 399.560 4.159 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]Cc2cccc3ccccc32)c1 ZINC000121085895 823115802 /nfs/dbraw/zinc/11/58/02/823115802.db2.gz JEBXLBZIADPUFN-INIZCTEOSA-N 1 0 378.472 4.364 20 0 GIADRO C[NH+]1CCC2(CCCN2C(=O)N[C@@H](c2ccc(F)c(Cl)c2)C2CC2)CC1 ZINC000459007909 823115884 /nfs/dbraw/zinc/11/58/84/823115884.db2.gz LWEHBDUBGPRSLB-GOSISDBHSA-N 1 0 379.907 4.200 20 0 GIADRO CSc1cccc(N(C(=O)c2ccc(Cl)cn2)C2CC[NH+](C)CC2)c1 ZINC000121089308 823116337 /nfs/dbraw/zinc/11/63/37/823116337.db2.gz MPUPZAQBQSXTHW-UHFFFAOYSA-N 1 0 375.925 4.198 20 0 GIADRO CCc1ccc(C[C@@H](Cc2ccc(Cl)cc2)[NH2+]CCc2cnn(C)c2)nc1 ZINC000571000630 823117920 /nfs/dbraw/zinc/11/79/20/823117920.db2.gz GINDAKXHARQPIJ-JOCHJYFZSA-N 1 0 382.939 4.017 20 0 GIADRO CSc1ccc([C@H](CNC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)[NH+](C)C)cc1 ZINC000571001679 823118283 /nfs/dbraw/zinc/11/82/83/823118283.db2.gz YVYUWKHJYIWYQO-INMHGKMJSA-N 1 0 388.499 4.496 20 0 GIADRO CSc1ccc([C@H](CNC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)[NH+](C)C)cc1 ZINC000571001554 823118301 /nfs/dbraw/zinc/11/83/01/823118301.db2.gz UKHCGROSNDZJPP-AOIWGVFYSA-N 1 0 390.499 4.209 20 0 GIADRO Fc1ccccc1-c1nc2c(s1)[C@H]([NH2+]CCOC[C@H]1CCCO1)CCC2 ZINC000121099649 823118543 /nfs/dbraw/zinc/11/85/43/823118543.db2.gz USFZEFVURXGBOU-RHSMWYFYSA-N 1 0 376.497 4.112 20 0 GIADRO C[C@@H]([NH2+]CC1CCN(CC(F)(F)F)CC1)c1ccc(Br)cc1 ZINC000187713351 823118563 /nfs/dbraw/zinc/11/85/63/823118563.db2.gz RGBBIYXPVJUUSI-GFCCVEGCSA-N 1 0 379.264 4.374 20 0 GIADRO CC(C)c1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000121102308 823118767 /nfs/dbraw/zinc/11/87/67/823118767.db2.gz QFTVBHKGNZMTKT-DLBZAZTESA-N 1 0 377.492 4.069 20 0 GIADRO Cc1ccc(C(F)(F)F)cc1NC(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000176096209 823119043 /nfs/dbraw/zinc/11/90/43/823119043.db2.gz XZYLAZHOJOMALH-UHFFFAOYSA-N 1 0 387.446 4.025 20 0 GIADRO O=C(CC[NH+]1CCC(OC2CCCC2)CC1)Nc1ccc(Br)cc1 ZINC000121134002 823124305 /nfs/dbraw/zinc/12/43/05/823124305.db2.gz SAQGLGCDSFJGKQ-UHFFFAOYSA-N 1 0 395.341 4.201 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)[NH2+]CC2=CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000187745957 823124316 /nfs/dbraw/zinc/12/43/16/823124316.db2.gz HUBBZQJXURYSKJ-KRWDZBQOSA-N 1 0 396.535 4.399 20 0 GIADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)NC[C@H]1CCO[C@@H](C(C)C)C1 ZINC000459060438 823122176 /nfs/dbraw/zinc/12/21/76/823122176.db2.gz LBERDSJMPWIDQU-AZUAARDMSA-N 1 0 395.613 4.053 20 0 GIADRO O=C(C[C@H](Cc1ccccc1)c1ccccc1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000571044963 823124542 /nfs/dbraw/zinc/12/45/42/823124542.db2.gz PKOKRXXSPLQAGH-SMIHKQSGSA-N 1 0 376.544 4.251 20 0 GIADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc(-c2cccs2)nc2ccccc21 ZINC000121136461 823124537 /nfs/dbraw/zinc/12/45/37/823124537.db2.gz GTTNRDUCCVMAOT-YWZLYKJASA-N 1 0 379.529 4.376 20 0 GIADRO COC(=O)COc1ccc(C[N@H+](C)Cc2cc(Cl)cc3cccnc32)cc1 ZINC000187738783 823122676 /nfs/dbraw/zinc/12/26/76/823122676.db2.gz PFIYOWRSDPGWSN-UHFFFAOYSA-N 1 0 384.863 4.072 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+]C1CCN(C(=O)c3ccoc3)CC1)CCCS2 ZINC000187748076 823124589 /nfs/dbraw/zinc/12/45/89/823124589.db2.gz BWFQAGIPKVQLCU-LJQANCHMSA-N 1 0 386.517 4.110 20 0 GIADRO CCc1nc2c(s1)[C@@H]([NH2+]CC1=CCN(C(=O)OC(C)(C)C)CC1)CCC2 ZINC000187741870 823123206 /nfs/dbraw/zinc/12/32/06/823123206.db2.gz XVWKVHVOSQQPOY-HNNXBMFYSA-N 1 0 377.554 4.240 20 0 GIADRO CCN(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000459070427 823123579 /nfs/dbraw/zinc/12/35/79/823123579.db2.gz YBFSIOLNULCJRF-OTYNDTSQSA-N 1 0 375.532 4.050 20 0 GIADRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC000187743862 823123691 /nfs/dbraw/zinc/12/36/91/823123691.db2.gz GUBULIHKWBBZRY-MRXNPFEDSA-N 1 0 389.496 4.073 20 0 GIADRO CCCN(C(=O)CC[C@H]([NH3+])c1ccccc1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000571039377 823124124 /nfs/dbraw/zinc/12/41/24/823124124.db2.gz ZEIFJTHIDKSARO-NQIIRXRSSA-N 1 0 381.520 4.123 20 0 GIADRO C[C@@H](C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1cc2ccccc2o1 ZINC000176117152 823125758 /nfs/dbraw/zinc/12/57/58/823125758.db2.gz FLFJAEIUFXWEQP-MRXNPFEDSA-N 1 0 380.463 4.456 20 0 GIADRO Cc1nc(-c2ccc(Cl)c(Cl)c2)n(C[N@H+](C)CCC2CCOCC2)n1 ZINC000121161657 823130070 /nfs/dbraw/zinc/13/00/70/823130070.db2.gz WYYATYKVBZNSSN-UHFFFAOYSA-N 1 0 383.323 4.266 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)NC1(c2ccc(F)cc2F)CCCC1 ZINC000459116318 823130201 /nfs/dbraw/zinc/13/02/01/823130201.db2.gz UKFJYPFPJCVWSM-UHFFFAOYSA-N 1 0 377.479 4.050 20 0 GIADRO Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000121162861 823130194 /nfs/dbraw/zinc/13/01/94/823130194.db2.gz DTXMTFUBJHTXNV-HSZRJFAPSA-N 1 0 375.472 4.193 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1c[nH]nc1-c1ccsc1 ZINC000187767576 823128640 /nfs/dbraw/zinc/12/86/40/823128640.db2.gz NTIDPMRBTGHDAI-GOSISDBHSA-N 1 0 394.544 4.122 20 0 GIADRO C[C@H]1C[C@H](NC(=O)Cc2csc(C(C)(C)C)n2)CC[N@@H+]1Cc1ccccc1 ZINC000176124781 823128927 /nfs/dbraw/zinc/12/89/27/823128927.db2.gz NLXOXFZDYZVLTC-FUHWJXTLSA-N 1 0 385.577 4.152 20 0 GIADRO [NH3+]Cc1ccc(C(=O)N2CCCC[C@@H]2Cc2cccc(Br)c2)cc1 ZINC000571079941 823129163 /nfs/dbraw/zinc/12/91/63/823129163.db2.gz JOIRMLDQVVAOAT-LJQANCHMSA-N 1 0 387.321 4.145 20 0 GIADRO O=C(Nc1nc2ccccc2s1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000056333930 823129714 /nfs/dbraw/zinc/12/97/14/823129714.db2.gz MDKNYCXJRFOHSF-UHFFFAOYSA-N 1 0 384.480 4.222 20 0 GIADRO COc1ccc(NC(=O)C[C@@H](C)[NH2+]CCCn2ccc3ccccc32)c(OC)c1 ZINC000121164175 823130416 /nfs/dbraw/zinc/13/04/16/823130416.db2.gz JEQAHDCBMYRESZ-QGZVFWFLSA-N 1 0 395.503 4.056 20 0 GIADRO C[C@H]1C[C@@H](NC(=O)c2cc(F)c(F)c(F)c2F)CC[N@@H+]1Cc1ccccc1 ZINC000176127910 823130462 /nfs/dbraw/zinc/13/04/62/823130462.db2.gz QPDAEHPMGXJDFN-JSGCOSHPSA-N 1 0 380.385 4.026 20 0 GIADRO COc1ccc(-c2n[nH]cc2C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)cc1 ZINC000571091010 823130864 /nfs/dbraw/zinc/13/08/64/823130864.db2.gz MMSWFGBLGHMNJY-XPWALMASSA-N 1 0 389.499 4.090 20 0 GIADRO CCN(Cc1cccc(-c2ccncc2)c1)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000459122360 823131005 /nfs/dbraw/zinc/13/10/05/823131005.db2.gz ZJVJEOIBLXWRFU-UHFFFAOYSA-N 1 0 392.547 4.297 20 0 GIADRO COc1ccc(CCCC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000176130640 823131049 /nfs/dbraw/zinc/13/10/49/823131049.db2.gz QGSOAAJDTNOUDN-SIKLNZKXSA-N 1 0 380.532 4.187 20 0 GIADRO COc1cc(C[NH2+][C@H](CC(C)C)c2cccs2)cc(Cl)c1OCC(N)=O ZINC000121168088 823131328 /nfs/dbraw/zinc/13/13/28/823131328.db2.gz JVJPLNQLCOHERR-OAHLLOKOSA-N 1 0 396.940 4.151 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@@H]1c1cccc(F)c1 ZINC000056344867 823131827 /nfs/dbraw/zinc/13/18/27/823131827.db2.gz QEPXVMNDKLERTR-JOCHJYFZSA-N 1 0 381.495 4.337 20 0 GIADRO CC[N@H+](Cc1csc(-c2ccc(C(N)=O)cc2)n1)[C@H](C)Cc1ccsc1 ZINC000187782394 823131977 /nfs/dbraw/zinc/13/19/77/823131977.db2.gz JJXWTOMMTDASNA-CQSZACIVSA-N 1 0 385.558 4.424 20 0 GIADRO CC(C)[C@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)c1nc2ccccc2[nH]1 ZINC000176140932 823133789 /nfs/dbraw/zinc/13/37/89/823133789.db2.gz IBNNCLVVNMNQFP-NRFANRHFSA-N 1 0 397.567 4.356 20 0 GIADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000459140358 823133774 /nfs/dbraw/zinc/13/37/74/823133774.db2.gz NIHVQZFVOLAANE-XFQXTVEOSA-N 1 0 377.960 4.348 20 0 GIADRO CCOc1cc(CN[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc(Br)c1O ZINC000571111873 823133936 /nfs/dbraw/zinc/13/39/36/823133936.db2.gz BNDUHTLMAAQARA-ZNMIVQPWSA-N 1 0 399.373 4.009 20 0 GIADRO CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000459151624 823135700 /nfs/dbraw/zinc/13/57/00/823135700.db2.gz IIGSXNXSQNBEIK-UHFFFAOYSA-N 1 0 385.474 4.500 20 0 GIADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000459155567 823135953 /nfs/dbraw/zinc/13/59/53/823135953.db2.gz KPNGPWDIQMVRMV-UHFFFAOYSA-N 1 0 396.373 4.244 20 0 GIADRO Cc1ncc(CN(C)C(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)s1 ZINC000056360522 823136105 /nfs/dbraw/zinc/13/61/05/823136105.db2.gz MIUPEXNMSQGURU-KRWDZBQOSA-N 1 0 392.594 4.128 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000121196375 823136552 /nfs/dbraw/zinc/13/65/52/823136552.db2.gz AUTTXYBDQSVEHS-MRXNPFEDSA-N 1 0 382.895 4.096 20 0 GIADRO COc1ccc(NC(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c(OC)c1 ZINC000571128900 823137409 /nfs/dbraw/zinc/13/74/09/823137409.db2.gz YEYOUWWCVMXVKE-LJQANCHMSA-N 1 0 397.519 4.128 20 0 GIADRO C[C@H]1CCC[C@H](C)N1C(=O)C[NH2+]C1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000571133113 823138756 /nfs/dbraw/zinc/13/87/56/823138756.db2.gz MIWJKTGUFQEOMJ-HOTGVXAUSA-N 1 0 398.469 4.090 20 0 GIADRO COc1ccc([C@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c2ccco2)cc1 ZINC000459186645 823140209 /nfs/dbraw/zinc/14/02/09/823140209.db2.gz CAFNQFAVBMIDSN-DXIQSLLYSA-N 1 0 397.519 4.034 20 0 GIADRO COc1cccc(C[C@H]([NH2+]C[C@@H]2CCN(c3ccccc3OC)C2)C2CC2)c1 ZINC000121218011 823141006 /nfs/dbraw/zinc/14/10/06/823141006.db2.gz VJBFMFYOXGUYHZ-UGKGYDQZSA-N 1 0 380.532 4.141 20 0 GIADRO C[C@H](CC(=O)N1CC[C@@H](Oc2ccncc2)C1)c1ccc(C(F)(F)F)cc1 ZINC000121241748 823145670 /nfs/dbraw/zinc/14/56/70/823145670.db2.gz DTCIYVKAERFSAA-RDTXWAMCSA-N 1 0 378.394 4.274 20 0 GIADRO C[NH+](C)CCc1ccc(CNC(=O)Nc2ccc3c(c2)C(=O)CCCC3)cc1 ZINC000571155964 823141932 /nfs/dbraw/zinc/14/19/32/823141932.db2.gz RKBYXEQSZUIWFV-UHFFFAOYSA-N 1 0 379.504 4.022 20 0 GIADRO C[NH+](C)Cc1ccccc1NC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000056394866 823142268 /nfs/dbraw/zinc/14/22/68/823142268.db2.gz IGPYVGHGSUEEHX-UHFFFAOYSA-N 1 0 389.286 4.493 20 0 GIADRO [NH3+][C@@H]1CCc2ncc(NC(=O)N[C@@H]3CC[C@@H](c4cccc(Cl)c4)C3)cc2C1 ZINC000571180278 823144771 /nfs/dbraw/zinc/14/47/71/823144771.db2.gz ASKCFGYVJVNZNG-ZTFGCOKTSA-N 1 0 384.911 4.009 20 0 GIADRO CCOc1cc(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)ccc1OCC(F)(F)F ZINC000121243615 823146102 /nfs/dbraw/zinc/14/61/02/823146102.db2.gz DAVIBEUNCQYEET-HNNXBMFYSA-N 1 0 383.414 4.129 20 0 GIADRO C[C@@H](CCCc1cccnc1)NC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000459189284 823140663 /nfs/dbraw/zinc/14/06/63/823140663.db2.gz BMJQJXGOUXGEOS-JXFKEZNVSA-N 1 0 388.943 4.048 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NC[C@H]1COc2ccccc21 ZINC000571197360 823147144 /nfs/dbraw/zinc/14/71/44/823147144.db2.gz WPXMANAIEKDBIM-RXVVDRJESA-N 1 0 393.531 4.036 20 0 GIADRO Cc1c2ccccc2oc1[C@@H](C)NC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000056421662 823147408 /nfs/dbraw/zinc/14/74/08/823147408.db2.gz JMXQASJYUYLJHZ-QGZVFWFLSA-N 1 0 392.503 4.161 20 0 GIADRO O=C(Nc1ccccc1O)C1CC[NH+](Cc2c(Cl)ccc3cccnc32)CC1 ZINC000121255246 823148678 /nfs/dbraw/zinc/14/86/78/823148678.db2.gz YHOSZNFMRSOMQF-UHFFFAOYSA-N 1 0 395.890 4.445 20 0 GIADRO CCOCc1cc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)ccc1OC ZINC000571207561 823148813 /nfs/dbraw/zinc/14/88/13/823148813.db2.gz BYUXTRDATAYVPM-XPWALMASSA-N 1 0 381.516 4.236 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1O ZINC000571211086 823149409 /nfs/dbraw/zinc/14/94/09/823149409.db2.gz ZZBNYMXJZXEDIA-BDJLRTHQSA-N 1 0 395.286 4.164 20 0 GIADRO Cc1coc(-c2ccc(C)c(NC(=O)N(CC[NH+](C)C)Cc3ccco3)c2)n1 ZINC000121266458 823151413 /nfs/dbraw/zinc/15/14/13/823151413.db2.gz ZDGQPPDFFUYVEI-UHFFFAOYSA-N 1 0 382.464 4.147 20 0 GIADRO CCC[N@H+](C)[C@H](CNC(=O)C(C)(C)c1c(C)noc1C)c1ccc(Cl)cc1 ZINC000571234374 823153106 /nfs/dbraw/zinc/15/31/06/823153106.db2.gz ZTOMMJVYFRDKGN-GOSISDBHSA-N 1 0 391.943 4.422 20 0 GIADRO C[N@@H+]1CCC[C@@H](CCNC(=O)N2CCc3sccc3[C@@H]2c2cccs2)C1 ZINC000459266034 823153663 /nfs/dbraw/zinc/15/36/63/823153663.db2.gz OYLNZONWUQBLPY-HNAYVOBHSA-N 1 0 389.590 4.199 20 0 GIADRO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)N[C@@H](c1cccnc1)C1CC1 ZINC000571254138 823156524 /nfs/dbraw/zinc/15/65/24/823156524.db2.gz YRGSMZIUPMKVOF-NZQKXSOJSA-N 1 0 392.547 4.134 20 0 GIADRO CC(C)([C@@H](NC(=O)c1cc(C2CC2)no1)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000571245529 823155055 /nfs/dbraw/zinc/15/50/55/823155055.db2.gz SRKNBHLVTDZYKS-IBGZPJMESA-N 1 0 389.446 4.176 20 0 GIADRO CC(C)Oc1ncc(Cl)cc1NC(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000571259298 823157280 /nfs/dbraw/zinc/15/72/80/823157280.db2.gz ZHBLVKCMULPFTO-UHFFFAOYSA-N 1 0 382.936 4.106 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)N2Cc3ccc(Cl)cc3C2)CC1 ZINC000459320571 823161193 /nfs/dbraw/zinc/16/11/93/823161193.db2.gz FDVKAIGIKKWAQL-UHFFFAOYSA-N 1 0 384.911 4.030 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1cc2c(cc1Cl)OCCCO2)c1cccc(Cl)c1 ZINC000121298476 823157777 /nfs/dbraw/zinc/15/77/77/823157777.db2.gz VMLXTZIPSFUKSM-GFCCVEGCSA-N 1 0 395.286 4.444 20 0 GIADRO CCOc1cc(C[N@@H+]2CCC[C@@H](CNC(=O)Nc3ccc(C)cc3)C2)ccc1O ZINC000459322807 823161348 /nfs/dbraw/zinc/16/13/48/823161348.db2.gz IBUCMXNADIDILP-IBGZPJMESA-N 1 0 397.519 4.133 20 0 GIADRO CCC(CC)c1cc(CNC(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)on1 ZINC000176232826 823159077 /nfs/dbraw/zinc/15/90/77/823159077.db2.gz SDSLALDXFVTRDT-LJQANCHMSA-N 1 0 388.512 4.116 20 0 GIADRO CC(C)c1nn(C)c(Cl)c1C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000121302888 823159193 /nfs/dbraw/zinc/15/91/93/823159193.db2.gz NGLGFAYVUYGMMR-UHFFFAOYSA-N 1 0 399.322 4.043 20 0 GIADRO CC(C)c1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC000571273913 823159220 /nfs/dbraw/zinc/15/92/20/823159220.db2.gz FGKDVEWTCULFPX-MOPGFXCFSA-N 1 0 393.531 4.122 20 0 GIADRO C[C@H]1CN(c2ccccc2C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)CCO1 ZINC000459307521 823159403 /nfs/dbraw/zinc/15/94/03/823159403.db2.gz OEZZDXHVMDOVEL-ICSRJNTNSA-N 1 0 386.561 4.154 20 0 GIADRO C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3ccc(OCC(F)(F)F)cc3)CC2)C1 ZINC000056494340 823159424 /nfs/dbraw/zinc/15/94/24/823159424.db2.gz FRXFKDZSWMJIEC-INIZCTEOSA-N 1 0 398.469 4.098 20 0 GIADRO O[C@@H](C[NH2+][C@H](c1ccccc1)c1cccc2ccccc21)COC1CCOCC1 ZINC000571277723 823159531 /nfs/dbraw/zinc/15/95/31/823159531.db2.gz RVPFIPKZQHKMEU-SQJMNOBHSA-N 1 0 391.511 4.075 20 0 GIADRO C[N@@H+]1CCC[C@@H](CCNC(=O)N(Cc2ccccc2)Cc2ccc(F)cc2)C1 ZINC000459310423 823159561 /nfs/dbraw/zinc/15/95/61/823159561.db2.gz NMJCEXWPVCUTEU-FQEVSTJZSA-N 1 0 383.511 4.269 20 0 GIADRO O=C(N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21)c1ccc2c[nH+]cn2c1 ZINC000571289611 823160618 /nfs/dbraw/zinc/16/06/18/823160618.db2.gz FFVYYDNAOCMHLE-QGZVFWFLSA-N 1 0 392.459 4.404 20 0 GIADRO CCO[C@H]1C[C@@]([NH3+])(C(=O)Nc2cccc(COc3ccccc3)c2C)C1(C)C ZINC000187946395 823162266 /nfs/dbraw/zinc/16/22/66/823162266.db2.gz QHJSHFGEZYQONR-NZQKXSOJSA-N 1 0 382.504 4.045 20 0 GIADRO CCOc1cc(C[N@@H+]2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)ccc1O ZINC000459331131 823162757 /nfs/dbraw/zinc/16/27/57/823162757.db2.gz URMKQMTUIQCOGO-KRWDZBQOSA-N 1 0 397.450 4.360 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)N2CC[C@@H](C(F)(F)F)C(C)(C)C2)c1 ZINC000187955175 823163463 /nfs/dbraw/zinc/16/34/63/823163463.db2.gz YPXUSCNPLDDCCE-QGZVFWFLSA-N 1 0 385.474 4.258 20 0 GIADRO C[C@H](CC(=O)N(C)C)[NH2+][C@@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC000121327255 823164053 /nfs/dbraw/zinc/16/40/53/823164053.db2.gz LYGBDYDLRFFCDQ-BFUOFWGJSA-N 1 0 393.300 4.134 20 0 GIADRO CC(C)(C)[N@@H+]1CCc2nc(NC(=O)c3cccc([C@H]4CCCOC4)c3)sc2C1 ZINC000571315461 823164212 /nfs/dbraw/zinc/16/42/12/823164212.db2.gz DRDBGJJYNIQPEB-KRWDZBQOSA-N 1 0 399.560 4.446 20 0 GIADRO CC1(C)CC(NC(=O)Nc2ccccc2OC[C@H]2CCCCO2)CC(C)(C)[NH2+]1 ZINC000056541122 823164619 /nfs/dbraw/zinc/16/46/19/823164619.db2.gz DKHOANVCOQXRGJ-QGZVFWFLSA-N 1 0 389.540 4.065 20 0 GIADRO CCOc1ccc(C[N@@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)cc1OCC ZINC000571322354 823164823 /nfs/dbraw/zinc/16/48/23/823164823.db2.gz JCPMCHOYYXTABF-QHCPKHFHSA-N 1 0 387.495 4.050 20 0 GIADRO Cc1ccncc1CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000571327674 823165909 /nfs/dbraw/zinc/16/59/09/823165909.db2.gz ATRDDPBNHMRGMC-XMMPIXPASA-N 1 0 387.527 4.370 20 0 GIADRO COc1ccc(OC)c(NC(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c1 ZINC000571336468 823166950 /nfs/dbraw/zinc/16/69/50/823166950.db2.gz IJQBHHRVOMRXCF-LJQANCHMSA-N 1 0 397.519 4.128 20 0 GIADRO CN(Cc1cscn1)Cc1cccc(NC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000459360930 823171621 /nfs/dbraw/zinc/17/16/21/823171621.db2.gz VSSYQEZRILRFDP-UHFFFAOYSA-N 1 0 393.560 4.251 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1cccc(N2CCCC2=O)c1)c1cccc2ccccc21 ZINC000121346132 823167286 /nfs/dbraw/zinc/16/72/86/823167286.db2.gz HJSVGMWTJNSWGY-QGZVFWFLSA-N 1 0 387.483 4.256 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1cccc(N2CCCC2=O)c1)c1cccc2ccccc21 ZINC000121345969 823167356 /nfs/dbraw/zinc/16/73/56/823167356.db2.gz HJSVGMWTJNSWGY-KRWDZBQOSA-N 1 0 387.483 4.256 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Nc1cccc(N2CCCCC2)c1)c1cccc(F)c1 ZINC000056554084 823168282 /nfs/dbraw/zinc/16/82/82/823168282.db2.gz RONITCMJVJUTQI-NRFANRHFSA-N 1 0 384.499 4.240 20 0 GIADRO CC(C)OC1CC([NH+]2CCN([C@@H](C)c3ccc(Br)cc3)CC2)C1 ZINC000459350972 823168687 /nfs/dbraw/zinc/16/86/87/823168687.db2.gz ZEDWNFGRFXSHIN-MNNVXMFVSA-N 1 0 381.358 4.084 20 0 GIADRO CC[N@H+](Cc1cnc(C2CC2)nc1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000459354960 823169842 /nfs/dbraw/zinc/16/98/42/823169842.db2.gz TUHDGPPGTGLXJD-UHFFFAOYSA-N 1 0 394.567 4.067 20 0 GIADRO C[C@H]([NH2+]CC(=O)NCCCOc1ccccc1F)c1ccc(C(F)(F)F)cc1 ZINC000571366755 823172225 /nfs/dbraw/zinc/17/22/25/823172225.db2.gz MQZIUAZBPPUTJV-AWEZNQCLSA-N 1 0 398.400 4.080 20 0 GIADRO O=C(N[C@@H](c1ccccc1)[C@@H]1CCCO1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176304523 823177025 /nfs/dbraw/zinc/17/70/25/823177025.db2.gz FWGNFQKGMIWCKT-VXKWHMMOSA-N 1 0 385.552 4.003 20 0 GIADRO COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H](C)c2ccccc2Cl)c(OC)c1 ZINC000121373456 823172664 /nfs/dbraw/zinc/17/26/64/823172664.db2.gz CKODXXTVKJIHHW-KGLIPLIRSA-N 1 0 376.884 4.425 20 0 GIADRO Cc1cc(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)n(Cc2ccccc2)n1 ZINC000176287493 823172906 /nfs/dbraw/zinc/17/29/06/823172906.db2.gz HMAHBDVHMSPOHP-UHFFFAOYSA-N 1 0 395.551 4.158 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)NC[C@@H]1CCOC2(CCC2)C1 ZINC000571395706 823177127 /nfs/dbraw/zinc/17/71/27/823177127.db2.gz ALNYAXNPOCAONO-JOCHJYFZSA-N 1 0 399.579 4.211 20 0 GIADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(NC(=O)c3cccc(F)c3)c2)[C@@H]1SC ZINC000459378298 823177149 /nfs/dbraw/zinc/17/71/49/823177149.db2.gz VXGFNYCBAVBVSC-AQNXPRMDSA-N 1 0 388.508 4.077 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cccc(NC(=O)c3ccccc3)c2)[C@@H]1SC ZINC000459378268 823177205 /nfs/dbraw/zinc/17/72/05/823177205.db2.gz QIBOVOKZIZWFKE-QAJUQPOASA-N 1 0 384.545 4.499 20 0 GIADRO CC(=O)Nc1ccc2c(C[N@H+]3C[C@@H](c4ccc(F)cc4)C[C@H]3C)cc(=O)oc2c1 ZINC000121384569 823175009 /nfs/dbraw/zinc/17/50/09/823175009.db2.gz BWNXDUSQFCQZRA-PBHICJAKSA-N 1 0 394.446 4.269 20 0 GIADRO Cc1cnc([C@H](C)C[NH2+]C[C@H](O)COc2ccc(-c3ccccc3)cc2)s1 ZINC000571397471 823177378 /nfs/dbraw/zinc/17/73/78/823177378.db2.gz DNNIODLACOGHJH-UZLBHIALSA-N 1 0 382.529 4.252 20 0 GIADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2Cn2ccnc2)[C@H]1Sc1ccccc1 ZINC000459372946 823175445 /nfs/dbraw/zinc/17/54/45/823175445.db2.gz UZOFCWUFVNNWKC-DNVJHFABSA-N 1 0 393.556 4.359 20 0 GIADRO Cc1cc(C(F)(F)F)ccc1CNC(=O)N(C)CCC[N@H+](C)Cc1ccco1 ZINC000571390216 823176396 /nfs/dbraw/zinc/17/63/96/823176396.db2.gz IYRDOWCBKSBSGX-UHFFFAOYSA-N 1 0 397.441 4.270 20 0 GIADRO CSc1ccc([C@H](CNC(=O)c2cc(-c3cccs3)on2)[NH+](C)C)cc1 ZINC000571391134 823176411 /nfs/dbraw/zinc/17/64/11/823176411.db2.gz SIVJXOVCAVORNB-INIZCTEOSA-N 1 0 387.530 4.158 20 0 GIADRO Cc1ccc(NC(=O)C2CC2)cc1NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176302358 823176808 /nfs/dbraw/zinc/17/68/08/823176808.db2.gz KEDGEHRWAMGCIH-UHFFFAOYSA-N 1 0 398.551 4.262 20 0 GIADRO CN(CCCOc1ccc(Cl)cc1)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000056601021 823178192 /nfs/dbraw/zinc/17/81/92/823178192.db2.gz HEHXZBUJEQWYTK-UHFFFAOYSA-N 1 0 375.900 4.334 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)N[C@@H]2CCC[C@@H](F)C2)CC1 ZINC000571402174 823178161 /nfs/dbraw/zinc/17/81/61/823178161.db2.gz KTHDODMNCOAYAN-HUUCEWRRSA-N 1 0 383.895 4.215 20 0 GIADRO COc1ccc2cc(C[NH2+]Cc3ccccc3N3CCO[C@H](C)C3)ccc2c1 ZINC000459382483 823178588 /nfs/dbraw/zinc/17/85/88/823178588.db2.gz FFZYTQJVOSLDOV-GOSISDBHSA-N 1 0 376.500 4.363 20 0 GIADRO COc1cccc(Cl)c1C(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000571411231 823179076 /nfs/dbraw/zinc/17/90/76/823179076.db2.gz WDINWJWSKJOVCH-CQSZACIVSA-N 1 0 381.303 4.077 20 0 GIADRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](CC(=O)N(C)C)c2ccccc2)[C@H]1Sc1ccccc1 ZINC000459385695 823179622 /nfs/dbraw/zinc/17/96/22/823179622.db2.gz KFKSYDBTBKBAHK-ZZLPTCMGSA-N 1 0 398.572 4.134 20 0 GIADRO Cc1nc(-c2ccc(C[NH2+]Cc3ccccc3N3CCO[C@@H](C)C3)o2)cs1 ZINC000459385249 823179700 /nfs/dbraw/zinc/17/97/00/823179700.db2.gz WZBUQIAWCMHOIH-HNNXBMFYSA-N 1 0 383.517 4.226 20 0 GIADRO CCCC[N@H+](C)C[C@H](C)NC(=O)Nc1ccc(C)cc1-c1nc(C2CC2)no1 ZINC000571442833 823183203 /nfs/dbraw/zinc/18/32/03/823183203.db2.gz WWNYSEKFZRCALM-HNNXBMFYSA-N 1 0 385.512 4.164 20 0 GIADRO CCn1nncc1C[NH2+][C@@](C)(Cc1cccc(Br)c1)c1ccccc1 ZINC000459387787 823180238 /nfs/dbraw/zinc/18/02/38/823180238.db2.gz NSYAVYHDIFANGM-FQEVSTJZSA-N 1 0 399.336 4.308 20 0 GIADRO COc1cc2c(cc1OC)[C@H]([NH2+]C[C@H](c1ccc(SC)cc1)N(C)C)CC2 ZINC000571423875 823180830 /nfs/dbraw/zinc/18/08/30/823180830.db2.gz BQUSSFZSGOYLBM-WOJBJXKFSA-N 1 0 386.561 4.306 20 0 GIADRO C[N@@H+]1CCC[C@H](CN[C@H](c2ncc[nH]2)c2ccc(F)cc2)[C@@H]1c1cccs1 ZINC000188070007 823181571 /nfs/dbraw/zinc/18/15/71/823181571.db2.gz DKQAGQBOHCRTET-LSTHTHJFSA-N 1 0 384.524 4.372 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)CCCS2 ZINC000188070652 823181590 /nfs/dbraw/zinc/18/15/90/823181590.db2.gz WSTVORJRERLBNS-HXUWFJFHSA-N 1 0 384.545 4.156 20 0 GIADRO C[C@H]1CN(c2ccccc2C[NH2+]Cc2ccnc(OC3CCCCC3)c2)CCO1 ZINC000459392599 823181766 /nfs/dbraw/zinc/18/17/66/823181766.db2.gz DGQLETXPJARNSX-IBGZPJMESA-N 1 0 395.547 4.308 20 0 GIADRO Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000571432521 823181999 /nfs/dbraw/zinc/18/19/99/823181999.db2.gz MWFLXRPZYOSQNQ-GXFFZTMASA-N 1 0 382.291 4.075 20 0 GIADRO O=C(N[C@@H](c1nccs1)c1ccccc1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176325047 823182100 /nfs/dbraw/zinc/18/21/00/823182100.db2.gz ZVEQOIXPAFRMQV-HXUWFJFHSA-N 1 0 398.576 4.329 20 0 GIADRO OCCC1(C[NH2+][C@H](c2cccc(F)c2)c2cccc(Br)c2)CC1 ZINC000188073019 823182206 /nfs/dbraw/zinc/18/22/06/823182206.db2.gz VXENNXABGZIUMM-SFHVURJKSA-N 1 0 378.285 4.430 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@H]2CCOc3c(F)cccc32)CC1 ZINC000188073473 823182224 /nfs/dbraw/zinc/18/22/24/823182224.db2.gz RNYPNGBUZYXQOR-IERDGZPVSA-N 1 0 397.494 4.174 20 0 GIADRO C[NH+](C)Cc1ccnc(NC(=O)C2(Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000188076741 823182451 /nfs/dbraw/zinc/18/24/51/823182451.db2.gz VQOMMYFXCSBQRP-UHFFFAOYSA-N 1 0 377.410 4.123 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CC[C@H](c3cccnc3)C2)cc1 ZINC000571436147 823182496 /nfs/dbraw/zinc/18/24/96/823182496.db2.gz QZUDIXUWXYDGNF-CVDCTZTESA-N 1 0 392.547 4.155 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CC[C@@H](c3cccnc3)C2)cc1 ZINC000571436148 823182628 /nfs/dbraw/zinc/18/26/28/823182628.db2.gz QZUDIXUWXYDGNF-WMZHIEFXSA-N 1 0 392.547 4.155 20 0 GIADRO CCOC[C@H]1CC[N@H+](Cc2csc(-c3cccc(Br)c3)n2)C1 ZINC000176327007 823182689 /nfs/dbraw/zinc/18/26/89/823182689.db2.gz AQUDPPMVGZYKJJ-ZDUSSCGKSA-N 1 0 381.339 4.431 20 0 GIADRO CC(C)n1cnnc1-c1ccccc1NC(=O)N1CC[C@@H]2CC[C@H](C1)[N@@H+]2C(C)C ZINC000176330333 823183768 /nfs/dbraw/zinc/18/37/68/823183768.db2.gz SCAGXPTUTLELPF-ZWKOTPCHSA-N 1 0 396.539 4.005 20 0 GIADRO C[C@H]([NH2+][C@H]1CC[C@H](Cc2ccccc2)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000188082672 823183964 /nfs/dbraw/zinc/18/39/64/823183964.db2.gz ZCGPEFDZPZLRMM-WDYCEAGBSA-N 1 0 375.509 4.291 20 0 GIADRO CCOc1cc(C[NH2+][C@@H](C)CCc2cccn2C)cc(Br)c1O ZINC000459419876 823188560 /nfs/dbraw/zinc/18/85/60/823188560.db2.gz XMMLCQFROXXYON-ZDUSSCGKSA-N 1 0 381.314 4.003 20 0 GIADRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]CCc1nccn1Cc1ccccc1 ZINC000188114827 823188611 /nfs/dbraw/zinc/18/86/11/823188611.db2.gz NTRBOGGEGUWXIP-KRWDZBQOSA-N 1 0 398.348 4.457 20 0 GIADRO C[N@H+](Cc1cc(=O)[nH]c(-c2ccccc2)n1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000459402861 823185240 /nfs/dbraw/zinc/18/52/40/823185240.db2.gz NVDMDQIUFYXBEA-SFTDATJTSA-N 1 0 393.462 4.340 20 0 GIADRO CCN1CC[C@H]([NH2+][C@H](C)c2ccc(OC)c(O)c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000571453779 823185288 /nfs/dbraw/zinc/18/52/88/823185288.db2.gz CWYMXMQITARQNU-LGZJRCCHSA-N 1 0 394.437 4.304 20 0 GIADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(C)(C)c1csc(-c2cc(F)ccc2F)n1 ZINC000571454552 823185338 /nfs/dbraw/zinc/18/53/38/823185338.db2.gz ONVAJNUNBROPGT-CYBMUJFWSA-N 1 0 395.519 4.212 20 0 GIADRO Cc1nn(C)c2cc(NC(=O)N3CCC(CC[N@H+]4CCCC[C@H]4C)CC3)ccc12 ZINC000571463523 823186304 /nfs/dbraw/zinc/18/63/04/823186304.db2.gz SXTIPJUZTDJPIO-QGZVFWFLSA-N 1 0 397.567 4.390 20 0 GIADRO COc1ccccc1N1CC[C@H](C[NH2+]Cc2c(C)nc3scc(C4CC4)n23)C1 ZINC000459409443 823186815 /nfs/dbraw/zinc/18/68/15/823186815.db2.gz YFLHKEFJSJFJDJ-MRXNPFEDSA-N 1 0 396.560 4.206 20 0 GIADRO CN1CC[C@H]([NH2+][C@H](Cn2ccccc2=O)c2ccccc2)C[C@@H]1c1ccccc1 ZINC000571466601 823187146 /nfs/dbraw/zinc/18/71/46/823187146.db2.gz BUINKQLJNWEWIH-RBZQAINGSA-N 1 0 387.527 4.015 20 0 GIADRO CN1CC[C@H]([NH2+][C@@H](Cn2ccccc2=O)c2ccccc2)C[C@@H]1c1ccccc1 ZINC000571466600 823187152 /nfs/dbraw/zinc/18/71/52/823187152.db2.gz BUINKQLJNWEWIH-KMDXXIMOSA-N 1 0 387.527 4.015 20 0 GIADRO Clc1ccc(CN2CCC([NH2+]Cc3cnc(C4CC4)nc3)CC2)cc1Cl ZINC000459413539 823187224 /nfs/dbraw/zinc/18/72/24/823187224.db2.gz NHYZBUUNQRPISS-UHFFFAOYSA-N 1 0 391.346 4.415 20 0 GIADRO O=C(CC[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1)Nc1ccccc1 ZINC000459414014 823187656 /nfs/dbraw/zinc/18/76/56/823187656.db2.gz NYSROMXSJIWFCV-UHFFFAOYSA-N 1 0 389.503 4.179 20 0 GIADRO CN(Cc1ccc(Cl)nc1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000121461268 823188979 /nfs/dbraw/zinc/18/89/79/823188979.db2.gz DSGNSKGZEVEDOE-UHFFFAOYSA-N 1 0 386.927 4.063 20 0 GIADRO CCOC[C@@H]1CC[N@@H+]([C@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)C1 ZINC000176345214 823188201 /nfs/dbraw/zinc/18/82/01/823188201.db2.gz MDYZIHOSOXOYMF-GCJKJVERSA-N 1 0 382.504 4.042 20 0 GIADRO COc1ccc(OC(C)C)c(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000176348926 823189148 /nfs/dbraw/zinc/18/91/48/823189148.db2.gz HJZBPGZGEMIGMX-UHFFFAOYSA-N 1 0 389.540 4.401 20 0 GIADRO C[C@H](CN(CC[NH+](C)C)Cc1ccccn1)c1cccc(Br)c1 ZINC000571483593 823189596 /nfs/dbraw/zinc/18/95/96/823189596.db2.gz GKBXECUFJLLZNN-MRXNPFEDSA-N 1 0 376.342 4.011 20 0 GIADRO COc1cccc([C@H](NC2CC[NH+](C3CC3)CC2)c2cc(F)ccc2OC)c1 ZINC000459430301 823190830 /nfs/dbraw/zinc/19/08/30/823190830.db2.gz QHDWCCINCYGTMC-QHCPKHFHSA-N 1 0 384.495 4.149 20 0 GIADRO CCOc1cc(C[NH2+]C2(c3ccc(F)cc3)CC2)cc(Br)c1O ZINC000459434007 823191318 /nfs/dbraw/zinc/19/13/18/823191318.db2.gz UBEZGVVDUVSSKR-UHFFFAOYSA-N 1 0 380.257 4.471 20 0 GIADRO CCOc1cc(C[NH2+]C[C@@H]2CCCO[C@H]2C(C)C)cc(Br)c1O ZINC000459436727 823191867 /nfs/dbraw/zinc/19/18/67/823191867.db2.gz ZETXDTKRAASJRD-KSSFIOAISA-N 1 0 386.330 4.094 20 0 GIADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)Nc3ccc(F)cc3)cc2)[C@H]1SC ZINC000459443485 823193013 /nfs/dbraw/zinc/19/30/13/823193013.db2.gz QCJLAJKKPMORJN-VAMGGRTRSA-N 1 0 388.508 4.077 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)Nc2ccc(C)c(NC(C)=O)c2C)cc1 ZINC000056691274 823193838 /nfs/dbraw/zinc/19/38/38/823193838.db2.gz QPVLHCHQNPIKAB-UHFFFAOYSA-N 1 0 396.535 4.425 20 0 GIADRO CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(C(C)=O)c3ccccc32)[C@H]1Sc1ccccc1 ZINC000459447666 823194168 /nfs/dbraw/zinc/19/41/68/823194168.db2.gz WKTUOYQNGWWEPE-OHUMZHCVSA-N 1 0 396.556 4.412 20 0 GIADRO CC(=O)Nc1ccc(C)c(C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)c1 ZINC000188151166 823194258 /nfs/dbraw/zinc/19/42/58/823194258.db2.gz OHCCFKGKVGNOMX-UHFFFAOYSA-N 1 0 393.531 4.115 20 0 GIADRO CC(C)n1cc([C@H](C)[NH2+]CCc2nc3sc4c(c3c(N)n2)CC[C@H](C)C4)cn1 ZINC000571527966 823195900 /nfs/dbraw/zinc/19/59/00/823195900.db2.gz QHHDKKXJIUANGV-KBPBESRZSA-N 1 0 398.580 4.069 20 0 GIADRO CCOc1cc(C[NH2+][C@H](C)[C@H](OC2CCOCC2)c2ccccc2)ccc1O ZINC000459452563 823194846 /nfs/dbraw/zinc/19/48/46/823194846.db2.gz RKMXAMBURJXVAW-HXOBKFHXSA-N 1 0 385.504 4.206 20 0 GIADRO CCCCn1ccnc1-c1cccc(NC(=O)NCC[C@H]2CCC[N@H+](C)C2)c1 ZINC000459459192 823196552 /nfs/dbraw/zinc/19/65/52/823196552.db2.gz REVQPFUIBHMONO-GOSISDBHSA-N 1 0 383.540 4.204 20 0 GIADRO Cc1nc(NC(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)sc1Cc1cccc(C)c1 ZINC000571533603 823197312 /nfs/dbraw/zinc/19/73/12/823197312.db2.gz SHHVEMHKFURROM-RBUKOAKNSA-N 1 0 398.576 4.204 20 0 GIADRO CCOc1cc(C[NH2+][C@H](C)[C@H](OC)c2ccc(OC)cc2)cc(Cl)c1O ZINC000459463198 823197434 /nfs/dbraw/zinc/19/74/34/823197434.db2.gz LHBHRHOFEXMMBT-XCLFUZPHSA-N 1 0 379.884 4.319 20 0 GIADRO CCN(Cc1ccccn1)C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000176395007 823198212 /nfs/dbraw/zinc/19/82/12/823198212.db2.gz WEMMTCSPMNTTKN-HXUWFJFHSA-N 1 0 386.927 4.104 20 0 GIADRO COc1c(F)cc(NC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)cc1F ZINC000056717487 823198808 /nfs/dbraw/zinc/19/88/08/823198808.db2.gz TWLBFHXVVPCCSI-UHFFFAOYSA-N 1 0 389.446 4.022 20 0 GIADRO Cc1ccc2snc(C(=O)N3CC[C@@]4(CC[N@H+](Cc5ccccc5)C4)C3)c2c1 ZINC000571546525 823198965 /nfs/dbraw/zinc/19/89/65/823198965.db2.gz FFAIPWHAPJTVDM-HSZRJFAPSA-N 1 0 391.540 4.343 20 0 GIADRO C[C@@H](Oc1cccnc1)C(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000571565758 823201240 /nfs/dbraw/zinc/20/12/40/823201240.db2.gz RAUYYVHGDRUUAA-QGZVFWFLSA-N 1 0 385.533 4.066 20 0 GIADRO C[C@@H](O)C[C@H](C[NH2+]C1CCN(Cc2ccccc2Cl)CC1)c1ccccc1 ZINC000121523548 823199611 /nfs/dbraw/zinc/19/96/11/823199611.db2.gz ZRNWDQMLPNQGLQ-WIYYLYMNSA-N 1 0 386.967 4.449 20 0 GIADRO CSc1ccc([C@@H](CNC(=O)c2cc3ccccc3nc2C)[NH+](C)C)cc1 ZINC000571557945 823199981 /nfs/dbraw/zinc/19/99/81/823199981.db2.gz FMTZHXZTFACNNE-OAQYLSRUSA-N 1 0 379.529 4.298 20 0 GIADRO CCC[C@@H]([NH2+][C@@H]1C[C@@H](OCC)[C@@H]1Sc1ccccc1)c1nnc2ccccn21 ZINC000459475355 823200208 /nfs/dbraw/zinc/20/02/08/823200208.db2.gz ZUTRFASJNXDJLG-ANTGDGSKSA-N 1 0 396.560 4.498 20 0 GIADRO Cc1nc(-c2cccc(NC(=O)NC[C@H](c3ccsc3)[NH+](C)C)c2)oc1C ZINC000056731347 823201869 /nfs/dbraw/zinc/20/18/69/823201869.db2.gz OQGPGGKXGMSMBP-GOSISDBHSA-N 1 0 384.505 4.444 20 0 GIADRO C[NH+](C)Cc1cccc(C(=O)NC2(Cc3ccccc3Br)CC2)c1 ZINC000571571145 823202136 /nfs/dbraw/zinc/20/21/36/823202136.db2.gz PSLIJCVWPBEAFK-UHFFFAOYSA-N 1 0 387.321 4.016 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1)c1nnc(-c2ccccc2)o1 ZINC000571572914 823202327 /nfs/dbraw/zinc/20/23/27/823202327.db2.gz KDQDCPZLCKEBEF-BKTGTZMESA-N 1 0 384.430 4.111 20 0 GIADRO CC[N@H+]1C[C@@H](C)N(CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000459490696 823203181 /nfs/dbraw/zinc/20/31/81/823203181.db2.gz YMRNSJRYLUVAIE-ZRGWGRIASA-N 1 0 398.378 4.071 20 0 GIADRO CCOc1cc(C[NH2+]Cc2ccnc(SCC)c2)cc(Br)c1O ZINC000459496137 823204168 /nfs/dbraw/zinc/20/41/68/823204168.db2.gz WQHYQECWMZBMHC-UHFFFAOYSA-N 1 0 397.338 4.350 20 0 GIADRO C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@H+](C)Cc1ccc(C2CC2)cc1 ZINC000459497784 823204920 /nfs/dbraw/zinc/20/49/20/823204920.db2.gz JYFOFEQMDTVCMQ-QGZVFWFLSA-N 1 0 384.545 4.297 20 0 GIADRO CO[C@@H](CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)c1cccc(Cl)c1 ZINC000176424725 823205098 /nfs/dbraw/zinc/20/50/98/823205098.db2.gz HLWUQHBAGQJYFK-FQEVSTJZSA-N 1 0 393.959 4.124 20 0 GIADRO C[C@H](c1cccnc1)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000459502885 823205776 /nfs/dbraw/zinc/20/57/76/823205776.db2.gz GZSHOZMKKMRZDJ-GOSISDBHSA-N 1 0 384.955 4.083 20 0 GIADRO O=C(c1cc(Cl)ccc1OC1CCCC1)N1CCC([NH+]2CCCC2)CC1 ZINC000176430844 823206232 /nfs/dbraw/zinc/20/62/32/823206232.db2.gz TUROKFJHMZWLKK-UHFFFAOYSA-N 1 0 376.928 4.362 20 0 GIADRO O=C(CC[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1)Nc1ccc(Br)cc1 ZINC000571607487 823207497 /nfs/dbraw/zinc/20/74/97/823207497.db2.gz JVOZHZKGVQSCND-OAHLLOKOSA-N 1 0 398.304 4.016 20 0 GIADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C/C=C\c1ccc(OCc2ccccc2)cc1 ZINC000459509726 823207642 /nfs/dbraw/zinc/20/76/42/823207642.db2.gz LFYRSUXXHGMVCD-UKSYNSBOSA-N 1 0 394.559 4.056 20 0 GIADRO CCOc1cc(C[NH2+]CC2(CO)CC(c3ccccc3)C2)cc(Cl)c1O ZINC000459510614 823207740 /nfs/dbraw/zinc/20/77/40/823207740.db2.gz WYISFMBFFZPXKD-UHFFFAOYSA-N 1 0 375.896 4.090 20 0 GIADRO Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCC3(CC2)OCCc2ccccc23)c1C ZINC000459511466 823208019 /nfs/dbraw/zinc/20/80/19/823208019.db2.gz DJYWDJQDNGBETR-LJQANCHMSA-N 1 0 378.516 4.194 20 0 GIADRO FC(F)(F)COc1cc(NCc2ccc(OC[C@@H]3CCCO3)cc2)ccn1 ZINC000571608878 823208225 /nfs/dbraw/zinc/20/82/25/823208225.db2.gz FFIYLSAUFBIGGK-KRWDZBQOSA-N 1 0 382.382 4.193 20 0 GIADRO COc1cc(NC(=O)N(CC[NH+](C)C)Cc2ccsc2)ccc1OC(C)C ZINC000459512201 823208236 /nfs/dbraw/zinc/20/82/36/823208236.db2.gz PVLALPFARCYHNV-UHFFFAOYSA-N 1 0 391.537 4.140 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCc3cnn(C(C)C)c3C2)[C@H]1Sc1ccccc1 ZINC000459515246 823208987 /nfs/dbraw/zinc/20/89/87/823208987.db2.gz GXVFKHKGBVJMJV-HVJHZFLKSA-N 1 0 385.577 4.249 20 0 GIADRO Cc1cc([C@@H]2CCCN2C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)no1 ZINC000056764190 823208970 /nfs/dbraw/zinc/20/89/70/823208970.db2.gz JDUVAKLLMFISSZ-NRFANRHFSA-N 1 0 382.508 4.380 20 0 GIADRO CC[C@@H]([NH2+]CC1(OC)CCOCC1)c1ccc(Br)cc1Cl ZINC000188255313 823209979 /nfs/dbraw/zinc/20/99/79/823209979.db2.gz OLPQDCMOJZWHLD-OAHLLOKOSA-N 1 0 376.722 4.339 20 0 GIADRO COC1(C[NH2+][C@@H](c2ccc(Br)cc2Cl)C2CC2)CCOCC1 ZINC000188255684 823209984 /nfs/dbraw/zinc/20/99/84/823209984.db2.gz LBWPMJJYMBSVHP-MRXNPFEDSA-N 1 0 388.733 4.339 20 0 GIADRO CC1(C(=O)Nc2nc(-c3ccc[nH]3)cs2)CC[NH+](Cc2ccccc2)CC1 ZINC000188266280 823211125 /nfs/dbraw/zinc/21/11/25/823211125.db2.gz LDXAAQWTLCCRNO-UHFFFAOYSA-N 1 0 380.517 4.379 20 0 GIADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc(OC(F)F)c(F)c2)C1 ZINC000571628969 823211556 /nfs/dbraw/zinc/21/15/56/823211556.db2.gz FJZUXAMXJKDHDT-ZDUSSCGKSA-N 1 0 387.446 4.449 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1cccc(-c2nccs2)c1)c1ccc(F)cc1 ZINC000056776507 823211515 /nfs/dbraw/zinc/21/15/15/823211515.db2.gz HTQZCUAGVFYDFC-GOSISDBHSA-N 1 0 384.480 4.374 20 0 GIADRO CSc1ccccc1NC(=O)CC[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000459526711 823211543 /nfs/dbraw/zinc/21/15/43/823211543.db2.gz PJIHEKMWAGXYOU-UHFFFAOYSA-N 1 0 396.556 4.301 20 0 GIADRO C[C@H](c1nc(-c2cccs2)no1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000571630263 823211844 /nfs/dbraw/zinc/21/18/44/823211844.db2.gz KKODJPLXTFSSEW-BHIYHBOVSA-N 1 0 394.544 4.313 20 0 GIADRO COc1cccc(OC)c1OCCCC[NH2+]C(C)(C)c1nc(C)c(C)s1 ZINC000571679314 823217894 /nfs/dbraw/zinc/21/78/94/823217894.db2.gz PETRBXPACOBYJP-UHFFFAOYSA-N 1 0 378.538 4.461 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(-c2csnn2)cc1)c1ccccc1 ZINC000056786696 823213151 /nfs/dbraw/zinc/21/31/51/823213151.db2.gz WWLHLRRIGIEZNR-HXUWFJFHSA-N 1 0 395.532 4.410 20 0 GIADRO CC1CC[NH+](C2CCC(NC(=O)Nc3ccc(-c4nncs4)cc3)CC2)CC1 ZINC000459533587 823213720 /nfs/dbraw/zinc/21/37/20/823213720.db2.gz KLMTZZRNEYJYEQ-UHFFFAOYSA-N 1 0 399.564 4.370 20 0 GIADRO C[C@H]([NH2+]C(C)(C)CNC(=O)c1c(F)cccc1Br)c1ccccc1 ZINC000176466534 823213812 /nfs/dbraw/zinc/21/38/12/823213812.db2.gz HNCXZVMNVZZPMP-ZDUSSCGKSA-N 1 0 393.300 4.447 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1C[NH+]1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000459538094 823215125 /nfs/dbraw/zinc/21/51/25/823215125.db2.gz SGKHYUSKGZULIR-UHFFFAOYSA-N 1 0 399.535 4.290 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)N[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000056795023 823215069 /nfs/dbraw/zinc/21/50/69/823215069.db2.gz GGBNRTTUXVGKBW-HNNXBMFYSA-N 1 0 396.373 4.272 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CCSc2ccccc21 ZINC000056794110 823215200 /nfs/dbraw/zinc/21/52/00/823215200.db2.gz UTRMKPFCLUTFOR-LJQANCHMSA-N 1 0 387.524 4.136 20 0 GIADRO CCOc1cc(C[N@H+](C)CCc2nc(-c3ccccc3)no2)cc(Cl)c1O ZINC000459550150 823218181 /nfs/dbraw/zinc/21/81/81/823218181.db2.gz SWUQEFGWGFDKCQ-UHFFFAOYSA-N 1 0 387.867 4.169 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H](C)Oc1ccc(C(F)(F)F)cc1 ZINC000188296770 823215961 /nfs/dbraw/zinc/21/59/61/823215961.db2.gz JZENQIGVRHYTOA-CQSZACIVSA-N 1 0 380.410 4.481 20 0 GIADRO C[NH+](C)C[C@H](NCc1cccc(O)c1Br)c1ccc(Cl)cc1 ZINC000459545833 823216906 /nfs/dbraw/zinc/21/69/06/823216906.db2.gz PSBXJLIIJPBYAN-HNNXBMFYSA-N 1 0 383.717 4.201 20 0 GIADRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)Nc1ccc(-c2nncs2)cc1 ZINC000459546868 823217236 /nfs/dbraw/zinc/21/72/36/823217236.db2.gz UIGFRLPEGORVIB-IBGZPJMESA-N 1 0 393.516 4.164 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(-c2nncs2)cc1)c1ccccc1 ZINC000459546420 823217321 /nfs/dbraw/zinc/21/73/21/823217321.db2.gz SKYYHWFHCURELL-IBGZPJMESA-N 1 0 395.532 4.410 20 0 GIADRO CC1(C)C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)c2cc(N)ccc2O1 ZINC000571679865 823217807 /nfs/dbraw/zinc/21/78/07/823217807.db2.gz XKFFOHHVDMYQCE-SFTDATJTSA-N 1 0 393.531 4.042 20 0 GIADRO NC(=O)C1CC[NH+](Cc2cccc(N[C@H]3CC[C@H](Cc4ccccc4)C3)c2)CC1 ZINC000188331514 823220659 /nfs/dbraw/zinc/22/06/59/823220659.db2.gz AIGVLYDJTZAUFZ-YKSBVNFPSA-N 1 0 391.559 4.207 20 0 GIADRO CCO[C@H](C)c1nc(CN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cs1 ZINC000409446612 823220891 /nfs/dbraw/zinc/22/08/91/823220891.db2.gz IJVURDMVCRPVIN-YZGWKJHDSA-N 1 0 385.577 4.195 20 0 GIADRO Brc1cnn(C2CC[NH+](C[C@H]3CCC4(CCCCC4)O3)CC2)c1 ZINC000409447901 823221163 /nfs/dbraw/zinc/22/11/63/823221163.db2.gz FHKQOGYZIQJZNT-QGZVFWFLSA-N 1 0 382.346 4.164 20 0 GIADRO CC[C@H](NC(=O)C1CC[NH+](C2CCN(CC)CC2)CC1)c1ccc(Cl)s1 ZINC000571699808 823221179 /nfs/dbraw/zinc/22/11/79/823221179.db2.gz KXFNGODIPFTKSK-KRWDZBQOSA-N 1 0 398.016 4.165 20 0 GIADRO Cc1nc(C)c([C@@H](C)N(C)C(=O)NC2CC[NH+](C3CCCCC3)CC2)s1 ZINC000176496202 823221218 /nfs/dbraw/zinc/22/12/18/823221218.db2.gz ZIAREQGJQWSBJV-OAHLLOKOSA-N 1 0 378.586 4.259 20 0 GIADRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)c1cc(C)sc1Br)c1ccco1 ZINC000571712955 823223121 /nfs/dbraw/zinc/22/31/21/823223121.db2.gz FDMIJGGZAFNZGQ-MFKMUULPSA-N 1 0 385.327 4.271 20 0 GIADRO COc1ccc(OC)c([C@H]2C[C@H]2C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000188347009 823223316 /nfs/dbraw/zinc/22/33/16/823223316.db2.gz XRIRBAJLAMJYRH-TZIWHRDSSA-N 1 0 380.488 4.042 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)CCCc3ccc(F)cc3)C2)s1 ZINC000571701032 823221485 /nfs/dbraw/zinc/22/14/85/823221485.db2.gz RERWMTAHSUDBFF-LJQANCHMSA-N 1 0 388.552 4.499 20 0 GIADRO CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)[C@H]1Sc1ccccc1 ZINC000459567542 823222005 /nfs/dbraw/zinc/22/20/05/823222005.db2.gz IROFKTZYUQINRF-YCDQRNBNSA-N 1 0 384.545 4.230 20 0 GIADRO CC[N@H+](C)CCNC(=O)N[C@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000121626366 823218517 /nfs/dbraw/zinc/21/85/17/823218517.db2.gz BXBCRQGCANIDLR-GFCCVEGCSA-N 1 0 380.945 4.084 20 0 GIADRO COC1(C[NH2+][C@@H](c2ccccc2)c2ccc(Br)cc2)CCOCC1 ZINC000188315733 823218578 /nfs/dbraw/zinc/21/85/78/823218578.db2.gz WPOUGDHSAVJQSC-IBGZPJMESA-N 1 0 390.321 4.324 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000176502640 823222849 /nfs/dbraw/zinc/22/28/49/823222849.db2.gz VNLRRXSXGHLWFF-JQHSSLGASA-N 1 0 384.549 4.139 20 0 GIADRO COc1c(C)cc(CN(C)C(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1C ZINC000176502262 823222858 /nfs/dbraw/zinc/22/28/58/823222858.db2.gz UPSAXSCLKDWHOM-UHFFFAOYSA-N 1 0 387.568 4.251 20 0 GIADRO CON1CCC([N@H+](C)Cc2nc3cc(Cl)ccc3n2Cc2ccccc2)CC1 ZINC000459574739 823223512 /nfs/dbraw/zinc/22/35/12/823223512.db2.gz DWSODRZEKAVJOL-UHFFFAOYSA-N 1 0 398.938 4.196 20 0 GIADRO COc1ccc([C@H](C)CC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000176506097 823223903 /nfs/dbraw/zinc/22/39/03/823223903.db2.gz RTQLGIFWTWLNOG-LJQANCHMSA-N 1 0 380.532 4.312 20 0 GIADRO Cc1cccc(C(C)C)c1NC(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188349011 823223932 /nfs/dbraw/zinc/22/39/32/823223932.db2.gz TZUHBPKZWIIATA-DEOSSOPVSA-N 1 0 395.547 4.219 20 0 GIADRO O[C@@H]1C[C@H]([C@@H]2CCCOC2)[N@H+](C/C=C/c2ccc(OCc3ccccc3)cc2)C1 ZINC000459576849 823224195 /nfs/dbraw/zinc/22/41/95/823224195.db2.gz LIIZQBZFLVDICH-BXYWLPCQSA-N 1 0 393.527 4.141 20 0 GIADRO O[C@H](C[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)COc1ccc2ccccc2c1 ZINC000571737038 823228115 /nfs/dbraw/zinc/22/81/15/823228115.db2.gz PLCVBOYWJKKTHS-YMPZKCBVSA-N 1 0 397.902 4.353 20 0 GIADRO C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)N1CCC(CC[NH+](C)C)CC1 ZINC000121662597 823225143 /nfs/dbraw/zinc/22/51/43/823225143.db2.gz UXESHFFBUUAQMZ-HNNXBMFYSA-N 1 0 376.932 4.039 20 0 GIADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@@H](C)c2ccccc2OC(C)C)o1 ZINC000056867040 823225591 /nfs/dbraw/zinc/22/55/91/823225591.db2.gz SBHJBZTXMPWSRQ-SFHVURJKSA-N 1 0 387.524 4.210 20 0 GIADRO C[C@H](c1nc2ccccc2s1)N(C)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000571744404 823228459 /nfs/dbraw/zinc/22/84/59/823228459.db2.gz FZOQJKIKMIRUJC-CYBMUJFWSA-N 1 0 382.489 4.003 20 0 GIADRO CCOc1cc(C[NH2+]Cc2ccc(OC(F)F)c(F)c2)cc(Cl)c1O ZINC000459588256 823225985 /nfs/dbraw/zinc/22/59/85/823225985.db2.gz LIQIPVNVWDSRGZ-UHFFFAOYSA-N 1 0 375.774 4.475 20 0 GIADRO C[C@@H](CCO)n1c2ccc(NC3CC[NH+](C4CC4)CC3)cc2nc1C(F)(F)F ZINC000459588397 823225998 /nfs/dbraw/zinc/22/59/98/823225998.db2.gz XHGDMJPCFCDNSK-ZDUSSCGKSA-N 1 0 396.457 4.037 20 0 GIADRO CC(C)(C)[C@@H]([NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1)c1nc(-c2nc[nH]n2)no1 ZINC000188363789 823226248 /nfs/dbraw/zinc/22/62/48/823226248.db2.gz YWTOBOVEGHRGTP-XFQAVAEZSA-N 1 0 380.496 4.042 20 0 GIADRO c1c(C[N@@H+]2CC3(CCOCC3)[C@@H]2C2CC2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459589748 823226342 /nfs/dbraw/zinc/22/63/42/823226342.db2.gz MPPAVXPEVKCRAZ-QHCPKHFHSA-N 1 0 392.547 4.451 20 0 GIADRO C[C@H]1CCCC[C@@]1(C)[NH2+]CC(=O)Nc1c(F)cc(F)cc1Br ZINC000459609308 823229255 /nfs/dbraw/zinc/22/92/55/823229255.db2.gz JIIOBRVZSSUGEM-MGPLVRAMSA-N 1 0 375.257 4.224 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H](C)c1ncc(C)s1 ZINC000176541154 823232768 /nfs/dbraw/zinc/23/27/68/823232768.db2.gz YDJFBAFIRFIJOI-PKOBYXMFSA-N 1 0 386.565 4.066 20 0 GIADRO c1csc(-c2nn(Cc3ccccc3)cc2C[NH+]2CC3(C2)CCOCC3)c1 ZINC000459620526 823230972 /nfs/dbraw/zinc/23/09/72/823230972.db2.gz NDXBWGUHMKMZLU-UHFFFAOYSA-N 1 0 379.529 4.272 20 0 GIADRO Cc1ccc(-c2ccncc2)cc1NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000571764173 823231738 /nfs/dbraw/zinc/23/17/38/823231738.db2.gz LTRYRKPXJDKFGA-HXUWFJFHSA-N 1 0 381.545 4.213 20 0 GIADRO O=C(N[C@@H](c1cccc(Cl)c1)c1ccccn1)N1CC[NH+](C2CCCC2)CC1 ZINC000121693564 823231753 /nfs/dbraw/zinc/23/17/53/823231753.db2.gz LELREHVYDZKSIV-NRFANRHFSA-N 1 0 398.938 4.094 20 0 GIADRO CC[NH+](CC)C[C@H]1CCN(C(=O)/C=C(/c2ccc(Cl)cc2)C(F)(F)F)C1 ZINC000121693470 823231760 /nfs/dbraw/zinc/23/17/60/823231760.db2.gz MGNWNXWAEIXWPK-RQNDZEIBSA-N 1 0 388.861 4.476 20 0 GIADRO CC1CC[NH+](C2CCC(NC(=O)C3(CC(=O)OC(C)(C)C)CCC3)CC2)CC1 ZINC000571763394 823231771 /nfs/dbraw/zinc/23/17/71/823231771.db2.gz BSYKTVQVZCJYLW-UHFFFAOYSA-N 1 0 392.584 4.048 20 0 GIADRO Cc1c(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)cccc1-c1ccccn1 ZINC000121694452 823231818 /nfs/dbraw/zinc/23/18/18/823231818.db2.gz JUGFEOXMZLRDCF-QFIPXVFZSA-N 1 0 377.463 4.229 20 0 GIADRO C[NH+](C)Cc1ccccc1NC(=O)[C@H]1CC(c2ccc(Cl)cc2Cl)=NO1 ZINC000056930740 823232080 /nfs/dbraw/zinc/23/20/80/823232080.db2.gz MQZQJRYQGAUKAQ-GOSISDBHSA-N 1 0 392.286 4.187 20 0 GIADRO C[C@H](c1cc(F)ccc1F)N(C)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000056934563 823232434 /nfs/dbraw/zinc/23/24/34/823232434.db2.gz WVNNUGSBLJBUOH-YJYMSZOUSA-N 1 0 379.426 4.109 20 0 GIADRO C[C@H](c1cc(F)ccc1F)N(C)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000056934568 823232456 /nfs/dbraw/zinc/23/24/56/823232456.db2.gz WVNNUGSBLJBUOH-BFUOFWGJSA-N 1 0 379.426 4.109 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCC[C@@H](N2CCCC2=O)C1)c1ccc(Oc2ccccc2)cn1 ZINC000571778947 823233139 /nfs/dbraw/zinc/23/31/39/823233139.db2.gz ZYVWVBOHOXNXPK-IPMKNSEASA-N 1 0 379.504 4.458 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)C[NH2+][C@]2(C)CCCC[C@@H]2C)c(C(F)(F)F)c1 ZINC000459605709 823228631 /nfs/dbraw/zinc/22/86/31/823228631.db2.gz DNJDPQBVFMXBKQ-KPZWWZAWSA-N 1 0 385.430 4.161 20 0 GIADRO COc1ccc(-c2ccc(CNC(=O)N(C)[C@H]3CC[N@H+](C)[C@@H](C)C3)s2)cc1 ZINC000176522921 823228708 /nfs/dbraw/zinc/22/87/08/823228708.db2.gz UPSGAECPDPABAJ-RDJZCZTQSA-N 1 0 387.549 4.048 20 0 GIADRO C[C@@H](CCCc1cccnc1)[NH2+]CC[S@@](=O)c1cc(Cl)ccc1Cl ZINC000459645779 823237430 /nfs/dbraw/zinc/23/74/30/823237430.db2.gz RIRCRJZNNNWGOE-LFPIHBKWSA-N 1 0 385.360 4.497 20 0 GIADRO CN(C(=O)C1(Cc2ccccc2F)CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000188401976 823234575 /nfs/dbraw/zinc/23/45/75/823234575.db2.gz HYMPCTSRITWYPV-UHFFFAOYSA-N 1 0 380.507 4.271 20 0 GIADRO C[C@H](CCCc1cccnc1)[NH2+]CC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000459638090 823235283 /nfs/dbraw/zinc/23/52/83/823235283.db2.gz JABZMCZGRQHPIB-RTBURBONSA-N 1 0 375.516 4.413 20 0 GIADRO C[C@@H](CCCc1cccnc1)[NH2+]CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000459641298 823235972 /nfs/dbraw/zinc/23/59/72/823235972.db2.gz MEHGXCBXVLDEIQ-KRWDZBQOSA-N 1 0 395.503 4.063 20 0 GIADRO CC[N@@H+]1CC[C@H](CNC(=O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)C1 ZINC000056983724 823237716 /nfs/dbraw/zinc/23/77/16/823237716.db2.gz XEXXUHMXGGJPRZ-CYBMUJFWSA-N 1 0 397.466 4.209 20 0 GIADRO C[C@H](CCCc1cccnc1)[NH2+][C@H](C)C(=O)Nc1nc2ccc(F)cc2s1 ZINC000459645288 823236903 /nfs/dbraw/zinc/23/69/03/823236903.db2.gz QKZUYBLTZZHVQB-ZIAGYGMSSA-N 1 0 386.496 4.158 20 0 GIADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1sc(Cc2ccc(F)cc2)nc1C ZINC000056972198 823236905 /nfs/dbraw/zinc/23/69/05/823236905.db2.gz VTXAQZVRSRYLOC-OAHLLOKOSA-N 1 0 391.556 4.422 20 0 GIADRO Cc1ccc(C(=O)CCC(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)s1 ZINC000571815659 823238817 /nfs/dbraw/zinc/23/88/17/823238817.db2.gz OPULIUCIWIJEPK-FQEVSTJZSA-N 1 0 398.572 4.438 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)N2CCC(Oc3cc(C)ccc3C)CC2)o1 ZINC000056998259 823239006 /nfs/dbraw/zinc/23/90/06/823239006.db2.gz BWTOLWJIRNBHNM-UHFFFAOYSA-N 1 0 384.520 4.422 20 0 GIADRO CC[NH+](CC)[C@H]1CCN(C(=O)c2c(C)onc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000188451635 823242498 /nfs/dbraw/zinc/24/24/98/823242498.db2.gz YATURSADROJPQW-INIZCTEOSA-N 1 0 395.425 4.225 20 0 GIADRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000057041687 823242544 /nfs/dbraw/zinc/24/25/44/823242544.db2.gz IRXJGUVBLYHAJO-HNNXBMFYSA-N 1 0 396.457 4.131 20 0 GIADRO Fc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)cc1 ZINC000459652412 823240004 /nfs/dbraw/zinc/24/00/04/823240004.db2.gz QPVYMTCWXNISIS-KRWDZBQOSA-N 1 0 397.416 4.397 20 0 GIADRO CCOc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)cc1F ZINC000459653297 823240025 /nfs/dbraw/zinc/24/00/25/823240025.db2.gz RHHMSTAFKHLUEF-KRWDZBQOSA-N 1 0 375.406 4.405 20 0 GIADRO COc1ccc2nc(C)cc(C(=O)Nc3cccc4c3OCC[C@H]4[NH+](C)C)c2c1 ZINC000571824797 823240265 /nfs/dbraw/zinc/24/02/65/823240265.db2.gz VIJVTZSYGGQOQC-OAQYLSRUSA-N 1 0 391.471 4.189 20 0 GIADRO C[NH2+]CCCNC(=O)Cc1sc(-c2ccccc2)nc1-c1ccc(C)cc1 ZINC000121748989 823242628 /nfs/dbraw/zinc/24/26/28/823242628.db2.gz DUTCUJZGPSMRMJ-UHFFFAOYSA-N 1 0 379.529 4.054 20 0 GIADRO CSc1ccc(OCC[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)cc1 ZINC000459653848 823240518 /nfs/dbraw/zinc/24/05/18/823240518.db2.gz DNZBYNOPNHSJJV-QGZVFWFLSA-N 1 0 389.483 4.468 20 0 GIADRO COC(=O)c1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c(C)s1 ZINC000459654343 823240797 /nfs/dbraw/zinc/24/07/97/823240797.db2.gz FGIZVJDXVKJBSG-OAHLLOKOSA-N 1 0 391.455 4.024 20 0 GIADRO CC[C@@H](C)[NH2+][C@H](CNC(=O)c1cnn(-c2cc(C)ccc2C)c1C)c1ccco1 ZINC000571832467 823241546 /nfs/dbraw/zinc/24/15/46/823241546.db2.gz QVPLQZLPWDYHOQ-YLJYHZDGSA-N 1 0 394.519 4.250 20 0 GIADRO C[C@H]1C[C@H](NC(=O)Cc2c[nH]c3cc(F)ccc23)CC[N@@H+]1Cc1ccccc1 ZINC000176582788 823241832 /nfs/dbraw/zinc/24/18/32/823241832.db2.gz FVFSTJRZVIAVCE-OXJNMPFZSA-N 1 0 379.479 4.019 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)Cc2c[nH]c3cc(F)ccc23)CC[N@@H+]1Cc1ccccc1 ZINC000176582774 823241865 /nfs/dbraw/zinc/24/18/65/823241865.db2.gz FVFSTJRZVIAVCE-OXQOHEQNSA-N 1 0 379.479 4.019 20 0 GIADRO Cc1ccc(C(=O)C2CCN(C(=O)NC[C@@H](C)C[NH+]3CCCCC3)CC2)c(C)c1 ZINC000057039823 823242245 /nfs/dbraw/zinc/24/22/45/823242245.db2.gz IFXRAJDDTOSREW-LJQANCHMSA-N 1 0 399.579 4.030 20 0 GIADRO Cn1cc(C[NH2+][C@@H]2C[C@H]2c2ccccc2F)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000459661401 823243825 /nfs/dbraw/zinc/24/38/25/823243825.db2.gz XFQURIANMLZVBJ-AZUAARDMSA-N 1 0 393.462 4.033 20 0 GIADRO CSc1ccc(Cl)c(C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)c1 ZINC000057053870 823243997 /nfs/dbraw/zinc/24/39/97/823243997.db2.gz LVACWJXDNWDXBY-UHFFFAOYSA-N 1 0 389.952 4.062 20 0 GIADRO COc1ccc(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1SC ZINC000459662287 823244123 /nfs/dbraw/zinc/24/41/23/823244123.db2.gz TYISZZNPDWXXDX-UHFFFAOYSA-N 1 0 385.533 4.203 20 0 GIADRO Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459671360 823247427 /nfs/dbraw/zinc/24/74/27/823247427.db2.gz WQLDFJONACYOOJ-QGZVFWFLSA-N 1 0 384.442 4.005 20 0 GIADRO COc1ccc(C(=O)NCCC[N@H+](C)C2CCCCC2)cc1-c1ccccn1 ZINC000121771378 823247048 /nfs/dbraw/zinc/24/70/48/823247048.db2.gz OURFGENCMYNBCK-UHFFFAOYSA-N 1 0 381.520 4.142 20 0 GIADRO O=C(Nc1ccc2nc(Cc3ccccc3)oc2c1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000571862885 823247287 /nfs/dbraw/zinc/24/72/87/823247287.db2.gz XTZIYBMHFDXGQR-HSZRJFAPSA-N 1 0 390.487 4.026 20 0 GIADRO CN(c1ccc(NC(=O)c2scnc2C(C)(C)C)cc1)C1CC[NH+](C)CC1 ZINC000176609990 823248125 /nfs/dbraw/zinc/24/81/25/823248125.db2.gz NRJPOULDOOEUSG-UHFFFAOYSA-N 1 0 386.565 4.223 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000121778838 823248971 /nfs/dbraw/zinc/24/89/71/823248971.db2.gz JUGQOLPXKMXFOQ-CVEARBPZSA-N 1 0 393.487 4.404 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc3cc[nH]c(=O)c3c2)[C@H]1c1cccs1 ZINC000571876401 823249121 /nfs/dbraw/zinc/24/91/21/823249121.db2.gz RVKWOZYSEXXHSZ-BEFAXECRSA-N 1 0 396.516 4.207 20 0 GIADRO COc1cc(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)ccc1Cl ZINC000121781259 823249891 /nfs/dbraw/zinc/24/98/91/823249891.db2.gz NESGGWRAWVBOTJ-CQSZACIVSA-N 1 0 378.925 4.052 20 0 GIADRO Cc1cc(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)c(OC(F)F)cc1C ZINC000121789260 823251831 /nfs/dbraw/zinc/25/18/31/823251831.db2.gz IBGJMTISSTWOPR-INIZCTEOSA-N 1 0 386.446 4.327 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+]CC1CCN(CC(F)(F)F)CC1)CCCS2 ZINC000188508706 823253046 /nfs/dbraw/zinc/25/30/46/823253046.db2.gz CWXAKRBNJVUBRK-QGZVFWFLSA-N 1 0 388.499 4.486 20 0 GIADRO OCC1([NH2+]Cc2c(-c3ccc(Cl)cc3)nc3sccn23)CCSCC1 ZINC000459699900 823253257 /nfs/dbraw/zinc/25/32/57/823253257.db2.gz AUXZRTOETSJERP-UHFFFAOYSA-N 1 0 393.965 4.064 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)N[C@@H](CC(F)(F)F)c1ccccc1)c1cccs1 ZINC000057131378 823253547 /nfs/dbraw/zinc/25/35/47/823253547.db2.gz NHZJAZXJMZPYJK-LSDHHAIUSA-N 1 0 385.455 4.344 20 0 GIADRO O=C(NCCCn1ccc2ccccc21)C1CC[NH+](Cc2ccccc2)CC1 ZINC000057139274 823253960 /nfs/dbraw/zinc/25/39/60/823253960.db2.gz HDEDLVALAVSOEK-UHFFFAOYSA-N 1 0 375.516 4.060 20 0 GIADRO C[NH+](C)CCOc1cccc(-c2noc(CCc3cnc4ccccc4c3)n2)c1 ZINC000571922942 823254629 /nfs/dbraw/zinc/25/46/29/823254629.db2.gz VJEBELPTUYAQHQ-UHFFFAOYSA-N 1 0 388.471 4.010 20 0 GIADRO O=C(Nc1ccc(Cl)c(Br)c1)NC1CC[NH+](CC2CC2)CC1 ZINC000176639629 823255248 /nfs/dbraw/zinc/25/52/48/823255248.db2.gz JAGUHSDFQVOYQR-UHFFFAOYSA-N 1 0 386.721 4.098 20 0 GIADRO O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)c1c(Cl)cccc1Cl ZINC000176641759 823255584 /nfs/dbraw/zinc/25/55/84/823255584.db2.gz QLVIDAMODSJTIU-UHFFFAOYSA-N 1 0 385.335 4.006 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)C[C@@H](C)n1ccnc1)c1ccc(C(F)(F)F)cc1 ZINC000571928133 823255810 /nfs/dbraw/zinc/25/58/10/823255810.db2.gz BYLXVZMECWAXNJ-QAPCUYQASA-N 1 0 396.457 4.052 20 0 GIADRO C[C@H]([NH2+]CC1CCN(CC(F)(F)F)CC1)c1ccc(Br)cc1O ZINC000188521270 823255865 /nfs/dbraw/zinc/25/58/65/823255865.db2.gz UABKCZXTWZNXQP-NSHDSACASA-N 1 0 395.263 4.080 20 0 GIADRO CC[NH+](CC)CCOc1ccc(CNC(=O)c2cc(C)sc2C)cc1OC ZINC000057167941 823257992 /nfs/dbraw/zinc/25/79/92/823257992.db2.gz AUNWCDGRGQJMFK-UHFFFAOYSA-N 1 0 390.549 4.024 20 0 GIADRO CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000571929676 823256077 /nfs/dbraw/zinc/25/60/77/823256077.db2.gz MGRSXAQLHRCVIC-AUSIDOKSSA-N 1 0 396.556 4.054 20 0 GIADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)CSc1ncnc2sc(C)c(C)c21 ZINC000057156688 823256703 /nfs/dbraw/zinc/25/67/03/823256703.db2.gz UOFUPNXZTOULRW-CYBMUJFWSA-N 1 0 394.610 4.027 20 0 GIADRO CCOC(=O)Nc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000057172622 823258737 /nfs/dbraw/zinc/25/87/37/823258737.db2.gz RNQVBJVYTUQCAN-UHFFFAOYSA-N 1 0 381.476 4.106 20 0 GIADRO COc1ccc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)c(OCC2CC2)c1 ZINC000188538729 823259252 /nfs/dbraw/zinc/25/92/52/823259252.db2.gz FSOGKBVYAFQCNM-UHFFFAOYSA-N 1 0 386.536 4.011 20 0 GIADRO Cc1cccc(C(=O)N[C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)c1Cl ZINC000121833040 823259702 /nfs/dbraw/zinc/25/97/02/823259702.db2.gz HEMJMAZOWBLXMP-SFHVURJKSA-N 1 0 384.907 4.366 20 0 GIADRO Fc1cccc([C@@H]2CN(Cc3ccccc3)C[C@H]2[NH2+]CCc2cscn2)c1 ZINC000459748148 823259907 /nfs/dbraw/zinc/25/99/07/823259907.db2.gz HVAOQCWRGYLPFZ-FCHUYYIVSA-N 1 0 381.520 4.083 20 0 GIADRO CO[C@H]1C[C@@H]([NH2+]Cc2ncc(-c3ccc(Br)cc3)o2)C12CCC2 ZINC000459776533 823263510 /nfs/dbraw/zinc/26/35/10/823263510.db2.gz VQOZFXGWQIDZEQ-CVEARBPZSA-N 1 0 377.282 4.151 20 0 GIADRO Cc1noc(C)c1CC(=O)NCCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000176663908 823261156 /nfs/dbraw/zinc/26/11/56/823261156.db2.gz AJADRPCXZXOJGE-UHFFFAOYSA-N 1 0 391.515 4.043 20 0 GIADRO C[C@H](C(=O)NCCC[NH+](Cc1ccccc1)Cc1ccccc1)c1cccnc1 ZINC000176664661 823261182 /nfs/dbraw/zinc/26/11/82/823261182.db2.gz MZHNCIPKLDDSDH-NRFANRHFSA-N 1 0 387.527 4.394 20 0 GIADRO Clc1ccc(CC[NH2+][C@@H]2CCO[C@H]2c2cncc(Br)c2)cc1 ZINC000459761114 823261621 /nfs/dbraw/zinc/26/16/21/823261621.db2.gz KSKPWEIYQKOKHK-SJORKVTESA-N 1 0 381.701 4.160 20 0 GIADRO Fc1ccc(/C=C\C[NH2+][C@@H]2CCO[C@H]2c2cncc(Br)c2)cc1 ZINC000459760913 823261628 /nfs/dbraw/zinc/26/16/28/823261628.db2.gz KHVBGDGOZXKWTR-ZSCXUVNLSA-N 1 0 377.257 4.116 20 0 GIADRO C[NH+](C)C1(CNC(=O)C2(c3ccc(Cl)cc3)CCOCC2)CCCCCC1 ZINC000057190973 823262444 /nfs/dbraw/zinc/26/24/44/823262444.db2.gz NENOGPYPVLDKDU-UHFFFAOYSA-N 1 0 392.971 4.159 20 0 GIADRO CO[C@@H]1C[C@H]([NH2+][C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C12CCC2 ZINC000459770554 823262787 /nfs/dbraw/zinc/26/27/87/823262787.db2.gz RKQHNHLLQCJJMR-WKPIXPDZSA-N 1 0 390.833 4.233 20 0 GIADRO CC(C)OCC[NH+]1CCC(NC(=O)c2ccc(Oc3ccccc3)cc2)CC1 ZINC000176673162 823264108 /nfs/dbraw/zinc/26/41/08/823264108.db2.gz BIRBTJBTHFXASU-UHFFFAOYSA-N 1 0 382.504 4.098 20 0 GIADRO CCCc1occc1C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC000409626423 823265466 /nfs/dbraw/zinc/26/54/66/823265466.db2.gz TXGRQCHBEJGFFU-UHFFFAOYSA-N 1 0 383.492 4.299 20 0 GIADRO C[C@@H]1C[N@@H+](CCCCNC(=O)c2sc3ccccc3c2Cl)C[C@H](C)O1 ZINC000176690302 823268973 /nfs/dbraw/zinc/26/89/73/823268973.db2.gz PTTOKRYHCPQUEU-OKILXGFUSA-N 1 0 380.941 4.174 20 0 GIADRO Cc1ccc([C@H]([NH2+]C[C@H]2CCC=CO2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000188580535 823265558 /nfs/dbraw/zinc/26/55/58/823265558.db2.gz RSXUDEVMCSWNCK-DENIHFKCSA-N 1 0 385.529 4.079 20 0 GIADRO Cc1cc(C[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000459799367 823265949 /nfs/dbraw/zinc/26/59/49/823265949.db2.gz WQRQXJSGEHSGTD-LEWJYISDSA-N 1 0 385.939 4.478 20 0 GIADRO O=C(Nc1ccc(-c2csnn2)cc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000057241614 823269393 /nfs/dbraw/zinc/26/93/93/823269393.db2.gz SKWBDYRWBWFPLL-UHFFFAOYSA-N 1 0 378.501 4.443 20 0 GIADRO COc1ccc([C@H]([NH2+]Cc2c(C)nn(C)c2C)C(C)C)c(Br)c1 ZINC000571988839 823266249 /nfs/dbraw/zinc/26/62/49/823266249.db2.gz GOHZKKLQAWNKDE-GOSISDBHSA-N 1 0 380.330 4.295 20 0 GIADRO C[C@H](C[N@H+](C)[C@@H](C)c1nnc(-c2cccc(Cl)c2)o1)C(=O)OC(C)(C)C ZINC000459801760 823266265 /nfs/dbraw/zinc/26/62/65/823266265.db2.gz HIXCUNCHWCVQEY-OLZOCXBDSA-N 1 0 379.888 4.361 20 0 GIADRO Brc1ccccc1-c1cnc(CN2CC[C@H](C[NH+]3CCCC3)C2)o1 ZINC000121867137 823266413 /nfs/dbraw/zinc/26/64/13/823266413.db2.gz OAEYHKWXLMUHIO-OAHLLOKOSA-N 1 0 390.325 4.022 20 0 GIADRO C[C@H]([NH2+]C1CCC2(CC1)C(=O)Nc1ccccc12)c1ccccc1-n1cccn1 ZINC000121873688 823267344 /nfs/dbraw/zinc/26/73/44/823267344.db2.gz VNCDMVGVRNKPPY-JPEQQQOWSA-N 1 0 386.499 4.356 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCCC1)NC[C@@H]1CCCC(F)(F)C1 ZINC000409633090 823267698 /nfs/dbraw/zinc/26/76/98/823267698.db2.gz VBQOBNWRDHFVTF-QGZVFWFLSA-N 1 0 379.495 4.297 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)C1(c2ccc(F)cc2)CCOCC1)c1ccccc1 ZINC000057196582 823263573 /nfs/dbraw/zinc/26/35/73/823263573.db2.gz BGLSOGDQFQCADM-JOCHJYFZSA-N 1 0 398.522 4.073 20 0 GIADRO CC(C)OCC[NH+]1CCC(NC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000176695473 823269934 /nfs/dbraw/zinc/26/99/34/823269934.db2.gz YZSGPFLZXOIODB-ROUUACIJSA-N 1 0 399.362 4.103 20 0 GIADRO CCOc1cccc2[nH]cc(CC(=O)N3CCC(CCC[NH+]4CCCC4)CC3)c21 ZINC000188621700 823274492 /nfs/dbraw/zinc/27/44/92/823274492.db2.gz FVCNSRQHQSJYFP-UHFFFAOYSA-N 1 0 397.563 4.224 20 0 GIADRO CC[C@H](c1cccc(OC)c1)[N@H+](C)CCCS(=O)(=O)c1ccc(F)cc1 ZINC000572021857 823270475 /nfs/dbraw/zinc/27/04/75/823270475.db2.gz FLQDIEKHLURIQN-HXUWFJFHSA-N 1 0 379.497 4.081 20 0 GIADRO C[NH+](C)CCC1CCN(C(=O)NCc2cccc(COc3ccccc3)c2)CC1 ZINC000057259961 823272123 /nfs/dbraw/zinc/27/21/23/823272123.db2.gz HNKKPUIRYMRJKH-UHFFFAOYSA-N 1 0 395.547 4.139 20 0 GIADRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)c2cc(C3CC3)nc3ccc(F)cc32)CC1 ZINC000572035964 823272267 /nfs/dbraw/zinc/27/22/67/823272267.db2.gz AFSYIYOYTSAUGL-NRFANRHFSA-N 1 0 381.495 4.102 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)Nc1cccnc1C(F)(F)F ZINC000572039357 823272608 /nfs/dbraw/zinc/27/26/08/823272608.db2.gz FNLJQMCVPUJHMQ-UHFFFAOYSA-N 1 0 380.414 4.262 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2c[nH]nc2-c2ccsc2)CC1 ZINC000188610592 823272625 /nfs/dbraw/zinc/27/26/25/823272625.db2.gz OYTMTMRDAPDCPS-MRXNPFEDSA-N 1 0 386.565 4.255 20 0 GIADRO OC[C@@]1(Cc2ccc(F)cc2)CC[N@H+](Cc2cc(Cl)cc3cccnc32)C1 ZINC000572038659 823272650 /nfs/dbraw/zinc/27/26/50/823272650.db2.gz KUFXZTORCNZHGY-JOCHJYFZSA-N 1 0 384.882 4.454 20 0 GIADRO Cc1cc(-c2cc(C(=O)N[C@@H](C)C[C@@H](C)[NH3+])c3cnn(C(C)C)c3n2)c(C)s1 ZINC000572043927 823273177 /nfs/dbraw/zinc/27/31/77/823273177.db2.gz UFHTWRQEGSBLID-OLZOCXBDSA-N 1 0 399.564 4.213 20 0 GIADRO Cc1cc(-c2cc(C(=O)N[C@H](C)C[C@H](C)[NH3+])c3cnn(C(C)C)c3n2)c(C)s1 ZINC000572043928 823273294 /nfs/dbraw/zinc/27/32/94/823273294.db2.gz UFHTWRQEGSBLID-QWHCGFSZSA-N 1 0 399.564 4.213 20 0 GIADRO O=S1(=O)CCC[C@H](C[NH2+][C@@H](Cc2ccc(Cl)cc2)C2CCCCC2)C1 ZINC000572053949 823274833 /nfs/dbraw/zinc/27/48/33/823274833.db2.gz ZCGWRKJIHRVPNS-XLIONFOSSA-N 1 0 383.985 4.246 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)C2(CCF)CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000572052792 823274887 /nfs/dbraw/zinc/27/48/87/823274887.db2.gz KWSYUROCJWYTEY-RDJZCZTQSA-N 1 0 386.433 4.344 20 0 GIADRO CC[N@H+](CCC1CCN(c2nnc(-c3ccccn3)n2C2CC2)CC1)CC(C)C ZINC000572048746 823274302 /nfs/dbraw/zinc/27/43/02/823274302.db2.gz GPBRLGPONZIENQ-UHFFFAOYSA-N 1 0 396.583 4.259 20 0 GIADRO CC(C)C(=O)Nc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000176723913 823278066 /nfs/dbraw/zinc/27/80/66/823278066.db2.gz MPEGZWIEQRVYNZ-XMSQKQJNSA-N 1 0 393.531 4.064 20 0 GIADRO CC[C@H](NC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1)c1c(C)noc1C ZINC000121933755 823279921 /nfs/dbraw/zinc/27/99/21/823279921.db2.gz NWRISFKGCKHKAQ-NRFANRHFSA-N 1 0 398.551 4.474 20 0 GIADRO CCc1nc2cc(C[NH2+][C@@H]3CCC[C@H](c4ccnn4C)C3)ccc2n1C1CC1 ZINC000572063452 823276698 /nfs/dbraw/zinc/27/66/98/823276698.db2.gz XILUXCUVOPWJFI-ZWKOTPCHSA-N 1 0 377.536 4.483 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C)c1ccc(-c2ccccc2)cc1 ZINC000572065097 823276916 /nfs/dbraw/zinc/27/69/16/823276916.db2.gz SXWKMKDHWNQEJN-XVWGUNQUSA-N 1 0 388.515 4.100 20 0 GIADRO COc1cc(OC)c([C@H](C)[NH2+]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)cc1Cl ZINC000188634128 823277044 /nfs/dbraw/zinc/27/70/44/823277044.db2.gz BAYJYLLFROGVOQ-PRXAMGSTSA-N 1 0 395.849 4.491 20 0 GIADRO CCC(CC)n1ncc(C(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)c1C ZINC000121919324 823277158 /nfs/dbraw/zinc/27/71/58/823277158.db2.gz GZPZIMBWELJUDJ-UHFFFAOYSA-N 1 0 392.931 4.399 20 0 GIADRO CSc1cccc(F)c1C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000409662860 823277249 /nfs/dbraw/zinc/27/72/49/823277249.db2.gz RGCLTPAVRGKSSB-UHFFFAOYSA-N 1 0 394.556 4.091 20 0 GIADRO COc1cc([C@@H](C)[NH2+]Cc2cnc3ccccn23)ccc1OCc1ccncc1 ZINC000121921774 823277398 /nfs/dbraw/zinc/27/73/98/823277398.db2.gz GTLYJZUOGVRXBJ-QGZVFWFLSA-N 1 0 388.471 4.168 20 0 GIADRO CS(=O)(=O)c1ccc(F)c(CNc2cc[nH+]c3cc(C(F)(F)F)ccc23)c1 ZINC000409663917 823277609 /nfs/dbraw/zinc/27/76/09/823277609.db2.gz HDLMJMIJSPMJHL-UHFFFAOYSA-N 1 0 398.381 4.408 20 0 GIADRO FC(F)Oc1ccc(NC(=S)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000006336485 817678824 /nfs/dbraw/zinc/67/88/24/817678824.db2.gz IBBFWQFMKJODQS-MRXNPFEDSA-N 1 0 395.475 4.395 20 0 GIADRO COc1cccc2c1CC[C@@H]2[NH2+][C@@H](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000121938747 823280785 /nfs/dbraw/zinc/28/07/85/823280785.db2.gz WQLJIOPYWHSYHL-GUYCJALGSA-N 1 0 388.895 4.351 20 0 GIADRO O[C@H](C[NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)C1)COCc1ccccc1Cl ZINC000572112751 823285374 /nfs/dbraw/zinc/28/53/74/823285374.db2.gz YJUGYHBOLGVXRU-NUEKZKHPSA-N 1 0 379.850 4.176 20 0 GIADRO CCSc1cccnc1C(=O)Nc1ccc(C[NH+]2CCSCC2)cc1C ZINC000460049437 823281990 /nfs/dbraw/zinc/28/19/90/823281990.db2.gz AMXPSBRBVCBMTA-UHFFFAOYSA-N 1 0 387.574 4.303 20 0 GIADRO Cc1cccc(N2CC[NH+](Cc3ccc(NC(=O)CCOC(C)C)cc3)CC2)c1 ZINC000121944411 823282311 /nfs/dbraw/zinc/28/23/11/823282311.db2.gz RMQYQEIPRAOSOE-UHFFFAOYSA-N 1 0 395.547 4.071 20 0 GIADRO O=C(c1cnn(-c2ccncc2)c1C(F)F)N(Cc1cccc(F)c1)C1CC1 ZINC000572094672 823282499 /nfs/dbraw/zinc/28/24/99/823282499.db2.gz XGSPABPEXABQTI-UHFFFAOYSA-N 1 0 386.377 4.149 20 0 GIADRO Cc1ccc(C(=O)Nc2cc(C[NH+]3CCSCC3)ccc2C)c(C2CC2)n1 ZINC000460066079 823282801 /nfs/dbraw/zinc/28/28/01/823282801.db2.gz VGHHGAYGHMGSBB-UHFFFAOYSA-N 1 0 381.545 4.377 20 0 GIADRO Cn1cc(NC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)c(C2CCCCC2)n1 ZINC000572114045 823285627 /nfs/dbraw/zinc/28/56/27/823285627.db2.gz ZCLJAGUBSTYULE-IBGZPJMESA-N 1 0 387.503 4.031 20 0 GIADRO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@](C)(O)C1CCCCC1 ZINC000188675956 823284354 /nfs/dbraw/zinc/28/43/54/823284354.db2.gz PETQQGHWKVSGIU-KUHUBIRLSA-N 1 0 386.458 4.343 20 0 GIADRO COc1cccc(Oc2ccc(C(=O)NC3CC[NH+](C4CCCC4)CC3)nc2)c1 ZINC000572107439 823284361 /nfs/dbraw/zinc/28/43/61/823284361.db2.gz XLICXFNEJHPJGN-UHFFFAOYSA-N 1 0 395.503 4.019 20 0 GIADRO O=C(NCc1cccc(OCc2ccccc2)c1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000572107140 823284412 /nfs/dbraw/zinc/28/44/12/823284412.db2.gz RHOPRQKAWLLATM-QFIPXVFZSA-N 1 0 393.531 4.035 20 0 GIADRO CC[NH+](CC)CCNC(=O)[C@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000057379305 823285168 /nfs/dbraw/zinc/28/51/68/823285168.db2.gz GZWORHQAENSAPX-AWEZNQCLSA-N 1 0 395.956 4.075 20 0 GIADRO C[C@H]1CCC[C@](CNC(=O)N(C)[C@H]2CC[C@@H](C(F)(F)F)CC2)([NH+](C)C)C1 ZINC000460108063 823286105 /nfs/dbraw/zinc/28/61/05/823286105.db2.gz FMXWCCOBDPTDCP-CUSZFKRNSA-N 1 0 377.495 4.259 20 0 GIADRO CC(C)[NH+]1CCC(N(C)C(=O)c2csc(-c3ccc(Cl)s3)n2)CC1 ZINC000057385996 823286917 /nfs/dbraw/zinc/28/69/17/823286917.db2.gz FOCMELBQUZHUGO-UHFFFAOYSA-N 1 0 383.970 4.470 20 0 GIADRO Cc1ncc(C[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)n1-c1ccccc1 ZINC000176765362 823287007 /nfs/dbraw/zinc/28/70/07/823287007.db2.gz BSQLTWLSEIYCKT-LJQANCHMSA-N 1 0 375.394 4.023 20 0 GIADRO CCCOc1c(Cl)cc([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc1OCC ZINC000007127487 817768199 /nfs/dbraw/zinc/76/81/99/817768199.db2.gz ZJBWNCBIORJYKF-GOSISDBHSA-N 1 0 399.882 4.374 20 0 GIADRO COc1ccccc1NC(=O)C[C@H](C)[NH2+]CCc1cn(C)c2cc(C)ccc12 ZINC000188697573 823288054 /nfs/dbraw/zinc/28/80/54/823288054.db2.gz OTIYPBMAPSVUII-KRWDZBQOSA-N 1 0 379.504 4.045 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(CC3CCCC3)n2Cc2ccccc2)C1 ZINC000572138012 823288577 /nfs/dbraw/zinc/28/85/77/823288577.db2.gz ATOHYFBXGKCYEB-QFIPXVFZSA-N 1 0 395.595 4.227 20 0 GIADRO CCS(=O)(=O)c1ccc(N2CCC([NH2+][C@@H]3CCCC[C@H]3C(C)C)CC2)cc1 ZINC000121985043 823288778 /nfs/dbraw/zinc/28/87/78/823288778.db2.gz KPDLQYGZNHHYOA-FCHUYYIVSA-N 1 0 392.609 4.253 20 0 GIADRO COc1cc(C[NH2+][C@@H]2CCCOc3c(C)cc(Cl)cc32)ccc1OCCO ZINC000121987274 823289172 /nfs/dbraw/zinc/28/91/72/823289172.db2.gz FDLFZGQYCVNQNS-GOSISDBHSA-N 1 0 391.895 4.032 20 0 GIADRO COc1ccc(C[N@@H+]2CCC[C@H]2Cn2cnc3ccccc32)c(Cl)c1OC ZINC000572143286 823289804 /nfs/dbraw/zinc/28/98/04/823289804.db2.gz XXEYIGNGBLDILC-INIZCTEOSA-N 1 0 385.895 4.372 20 0 GIADRO CCOc1cc(NC(=O)c2cnn(CC[NH+](C)C)c2-c2ccccc2)ccc1C ZINC000572145229 823289927 /nfs/dbraw/zinc/28/99/27/823289927.db2.gz WYUFISVJFZJXJD-UHFFFAOYSA-N 1 0 392.503 4.071 20 0 GIADRO CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000572148810 823290747 /nfs/dbraw/zinc/29/07/47/823290747.db2.gz CQHHJKZCLZVEJG-KRWDZBQOSA-N 1 0 382.470 4.266 20 0 GIADRO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1cc2ccccc2n1CC(F)(F)F ZINC000572149260 823290765 /nfs/dbraw/zinc/29/07/65/823290765.db2.gz JLQSVKXMHPZPHK-MRXNPFEDSA-N 1 0 381.442 4.150 20 0 GIADRO C[NH+](C)C1(CNC(=S)Nc2ccc(OC(F)(F)F)cc2)CCCCC1 ZINC000007368775 817825428 /nfs/dbraw/zinc/82/54/28/817825428.db2.gz LATJEXHYUUNYPI-UHFFFAOYSA-N 1 0 375.460 4.136 20 0 GIADRO C[NH+](C)[C@H](CNC(=S)Nc1ccc(OC(F)(F)F)cc1)Cc1ccccc1 ZINC000007368860 817825740 /nfs/dbraw/zinc/82/57/40/817825740.db2.gz OMNBWSOJEGSCKO-INIZCTEOSA-N 1 0 397.466 4.045 20 0 GIADRO COc1cccc(NC(=S)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000007402955 817831540 /nfs/dbraw/zinc/83/15/40/817831540.db2.gz KOFRDNJQTHUCSH-UHFFFAOYSA-N 1 0 389.952 4.300 20 0 GIADRO Cc1ccc(C(C)C)c(OCC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000007406374 817832373 /nfs/dbraw/zinc/83/23/73/817832373.db2.gz YKZYYYCRPLFHJI-HXUWFJFHSA-N 1 0 384.520 4.434 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)CCCc2ccc(F)c(F)c2)CC1 ZINC000122007143 823292380 /nfs/dbraw/zinc/29/23/80/823292380.db2.gz AGZZCIIAZIYSQP-UHFFFAOYSA-N 1 0 386.486 4.377 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(OC)c(-c2ccccn2)c1)c1ccco1 ZINC000122008586 823292731 /nfs/dbraw/zinc/29/27/31/823292731.db2.gz CYGNMBRTQJNMQN-FQEVSTJZSA-N 1 0 393.487 4.163 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1COc2ccc(Cl)cc2C1 ZINC000007448167 817843749 /nfs/dbraw/zinc/84/37/49/817843749.db2.gz IBUBLNUFFCTPHV-FQEVSTJZSA-N 1 0 398.934 4.193 20 0 GIADRO C[C@H]([NH2+]CCc1ccccc1OC(F)F)c1cccc(N2CCOCC2)c1 ZINC000188721850 823292845 /nfs/dbraw/zinc/29/28/45/823292845.db2.gz SRNKBRLZGLFCPB-INIZCTEOSA-N 1 0 376.447 4.018 20 0 GIADRO C[C@H]([NH2+]Cc1c[nH]nc1-c1ccc(Cl)cc1)c1ccc2c(c1)CCC(=O)N2 ZINC000572166894 823293372 /nfs/dbraw/zinc/29/33/72/823293372.db2.gz LGTSVPBIDIIAHA-ZDUSSCGKSA-N 1 0 380.879 4.466 20 0 GIADRO O=C(Cc1c(F)cccc1Cl)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000007492065 817853989 /nfs/dbraw/zinc/85/39/89/817853989.db2.gz WZJHAHVTWHLNLF-UHFFFAOYSA-N 1 0 395.305 4.456 20 0 GIADRO CCN(CC)C(=O)c1cccc(NC(=O)C[NH2+][C@H](C)c2cccc(Cl)c2)c1 ZINC000007500272 817856028 /nfs/dbraw/zinc/85/60/28/817856028.db2.gz RLMQUKWWIUYQMG-OAHLLOKOSA-N 1 0 387.911 4.111 20 0 GIADRO CC[NH+](CC)CC1CCN(C(=O)C(C)(C)c2ccccc2Br)CC1 ZINC000409736007 823295001 /nfs/dbraw/zinc/29/50/01/823295001.db2.gz GGCKAALFFBIADH-UHFFFAOYSA-N 1 0 395.385 4.307 20 0 GIADRO Cc1nc(-c2cccc(C(=O)NCc3ccc(C[NH+](C)C)c(F)c3)c2)cs1 ZINC000122024899 823295081 /nfs/dbraw/zinc/29/50/81/823295081.db2.gz XHICXQZKCVHFMT-UHFFFAOYSA-N 1 0 383.492 4.249 20 0 GIADRO CCc1ccc([C@H](CNC(=O)c2oc3ccc(OC)cc3c2C)[NH+](C)C)cc1 ZINC000007684711 817894372 /nfs/dbraw/zinc/89/43/72/817894372.db2.gz ZPHFFIYVVFYDDF-FQEVSTJZSA-N 1 0 380.488 4.345 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Cc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000007686436 817894954 /nfs/dbraw/zinc/89/49/54/817894954.db2.gz IMUWWCAKYFHVIQ-IBGZPJMESA-N 1 0 378.438 4.447 20 0 GIADRO O=C(NCc1ccc(Sc2ccccc2)cc1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000122033589 823296700 /nfs/dbraw/zinc/29/67/00/823296700.db2.gz INWMYYPGXQELHO-GOSISDBHSA-N 1 0 381.545 4.121 20 0 GIADRO CCCCOc1c(Cl)cc(C(=O)NCc2ccc3c(c2)C[NH2+]C3)cc1OC ZINC000188750894 823297359 /nfs/dbraw/zinc/29/73/59/823297359.db2.gz PASDMGDYXOFJBW-UHFFFAOYSA-N 1 0 388.895 4.061 20 0 GIADRO CC[NH+](CC)CCNC(=O)CCc1c2ccccc2[nH]c1-c1ccc(OC)cc1 ZINC000007750643 817907521 /nfs/dbraw/zinc/90/75/21/817907521.db2.gz SVSTXNWTCFZUCT-UHFFFAOYSA-N 1 0 393.531 4.234 20 0 GIADRO COC(C)(C)C[C@@H](C)[NH2+][C@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000122066373 823301313 /nfs/dbraw/zinc/30/13/13/823301313.db2.gz MUHIPRWPFBESHM-CHWSQXEVSA-N 1 0 376.419 4.096 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]2COc3ccc(Cl)cc3C2)cc1 ZINC000007828730 817927867 /nfs/dbraw/zinc/92/78/67/817927867.db2.gz YRWZJDNKMBODQV-IBGZPJMESA-N 1 0 386.923 4.049 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)N2Cc3ccccc3OC(C)(C)C2)c1 ZINC000460160873 823301871 /nfs/dbraw/zinc/30/18/71/823301871.db2.gz JYGDDCHGFCKTRH-UHFFFAOYSA-N 1 0 381.520 4.021 20 0 GIADRO COc1cc(C)ccc1Oc1ccc(NC(=O)NC[C@@H]2CC[N@H+](C)C2)cc1F ZINC000572216626 823302549 /nfs/dbraw/zinc/30/25/49/823302549.db2.gz LYFOYRZLONZWSI-HNNXBMFYSA-N 1 0 387.455 4.008 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cc(F)ccc1Br ZINC000007946712 817967141 /nfs/dbraw/zinc/96/71/41/817967141.db2.gz JFYJCRAZUZXYJJ-UHFFFAOYSA-N 1 0 393.300 4.360 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1cc(F)ccc1Br ZINC000008012961 817982749 /nfs/dbraw/zinc/98/27/49/817982749.db2.gz QYWLFGSARLZJCV-UHFFFAOYSA-N 1 0 391.284 4.114 20 0 GIADRO O=C(CSc1ccc2c(c1)CCC2)NCc1ccccc1C[NH+]1CCCC1 ZINC000008012829 817982885 /nfs/dbraw/zinc/98/28/85/817982885.db2.gz DJGGEBLOEWFHIB-UHFFFAOYSA-N 1 0 380.557 4.180 20 0 GIADRO O=C(Nc1ccc(OC(F)F)cc1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000409758086 823300271 /nfs/dbraw/zinc/30/02/71/823300271.db2.gz CFKLHYCGOVISKX-UHFFFAOYSA-N 1 0 393.409 4.213 20 0 GIADRO Cc1csc([C@@H](NC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)C2CC2)n1 ZINC000176828002 823303925 /nfs/dbraw/zinc/30/39/25/823303925.db2.gz LMKSZLJGFMCVIK-UZLBHIALSA-N 1 0 398.576 4.427 20 0 GIADRO S=C(Nc1cccc(Br)c1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000008106280 818001291 /nfs/dbraw/zinc/00/12/91/818001291.db2.gz LYSNLHZNVGBVNS-QGZVFWFLSA-N 1 0 390.350 4.010 20 0 GIADRO CCC[NH+]1CCC(NC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)CC1 ZINC000008130620 818005219 /nfs/dbraw/zinc/00/52/19/818005219.db2.gz MAWMKEKUDXAWBV-UHFFFAOYSA-N 1 0 394.544 4.205 20 0 GIADRO O=C(N[C@@H](c1c(Cl)cccc1Cl)C1CC1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000572227347 823304756 /nfs/dbraw/zinc/30/47/56/823304756.db2.gz PZDVCDAJNJZFLJ-UHQDVWGKSA-N 1 0 382.335 4.132 20 0 GIADRO C[NH+](C)CC(C)(C)CNc1nc(-c2cccnc2)nc2sc3c(c21)CCC3 ZINC000008178216 818012956 /nfs/dbraw/zinc/01/29/56/818012956.db2.gz NAGQZHHEPUBKSM-UHFFFAOYSA-N 1 0 381.549 4.242 20 0 GIADRO O=C(N[C@@H](C1CCCC1)C(F)(F)F)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000176837229 823305996 /nfs/dbraw/zinc/30/59/96/823305996.db2.gz BYINXISGJQECFC-SFHVURJKSA-N 1 0 383.458 4.071 20 0 GIADRO COc1cnccc1[C@@H](C)[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000188790659 823306179 /nfs/dbraw/zinc/30/61/79/823306179.db2.gz YZVFPQOKXFWZEJ-QWHCGFSZSA-N 1 0 381.398 4.177 20 0 GIADRO C[N@@H+]1CCCC[C@H]1CCSc1nnc(CN2CCCCC2)n1-c1ccccc1 ZINC000057530301 823307205 /nfs/dbraw/zinc/30/72/05/823307205.db2.gz GIAFGQNZDBFPLC-IBGZPJMESA-N 1 0 399.608 4.220 20 0 GIADRO COCCC1(CNC(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)CCCC1 ZINC000122107353 823307396 /nfs/dbraw/zinc/30/73/96/823307396.db2.gz USXVEKKTXVWOEE-IEBWSBKVSA-N 1 0 393.597 4.027 20 0 GIADRO C[NH+](C)CC1(C(=O)Nc2ccc(-c3cn4c(n3)CCCC4)cc2)CCCCC1 ZINC000460184535 823308955 /nfs/dbraw/zinc/30/89/55/823308955.db2.gz PESIAWWYDRNKEK-UHFFFAOYSA-N 1 0 380.536 4.337 20 0 GIADRO CCCc1occc1C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000409789104 823307739 /nfs/dbraw/zinc/30/77/39/823307739.db2.gz XSUPHBHABOPPDX-UHFFFAOYSA-N 1 0 384.520 4.033 20 0 GIADRO CCCC[N@H+](CC)Cc1cccc(CNC(=O)c2cnc3cnccc3c2)c1 ZINC000409795309 823309336 /nfs/dbraw/zinc/30/93/36/823309336.db2.gz HXQHYTAOZMDYDL-UHFFFAOYSA-N 1 0 376.504 4.182 20 0 GIADRO CCOc1ccccc1NC(=O)[C@@H]([NH2+]CCOc1ccccc1)c1ccccc1 ZINC000057553551 823309386 /nfs/dbraw/zinc/30/93/86/823309386.db2.gz REHDZFKBXDFGMD-QHCPKHFHSA-N 1 0 390.483 4.434 20 0 GIADRO O=C(CSc1ccc2c(c1)CCC2)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000011264327 818067198 /nfs/dbraw/zinc/06/71/98/818067198.db2.gz ZQWVGQOFINTWFN-UHFFFAOYSA-N 1 0 380.557 4.048 20 0 GIADRO COc1cc(CN(C)C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)ccc1SC ZINC000057613267 823314748 /nfs/dbraw/zinc/31/47/48/823314748.db2.gz HMXADMUVRMDEQF-KRWDZBQOSA-N 1 0 393.597 4.213 20 0 GIADRO CC(C)[NH+](CCCNC(=O)[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)C(C)C ZINC000409797295 823309873 /nfs/dbraw/zinc/30/98/73/823309873.db2.gz UUCKZYDZQBGQIJ-APWZRJJASA-N 1 0 384.923 4.182 20 0 GIADRO CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000460201110 823314868 /nfs/dbraw/zinc/31/48/68/823314868.db2.gz HVTMYUBMDPDNDX-RLLQIKCJSA-N 1 0 399.583 4.364 20 0 GIADRO COc1ccc([C@H](CNC(=O)NC23CC4CC(CC(C4)C2)C3)[NH+]2CCCC2)cc1 ZINC000057573507 823310919 /nfs/dbraw/zinc/31/09/19/823310919.db2.gz FAVDGCOWXVOVDV-NIRMEOIISA-N 1 0 397.563 4.100 20 0 GIADRO CC(C)(C)OC1CC(CC[NH2+]C[C@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC000572275924 823311839 /nfs/dbraw/zinc/31/18/39/823311839.db2.gz LNJOHTWOHDHRHM-GQACYLMRSA-N 1 0 375.553 4.015 20 0 GIADRO CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000460193619 823311932 /nfs/dbraw/zinc/31/19/32/823311932.db2.gz VMXPLBKZJGEYSH-IHPCNDPISA-N 1 0 399.583 4.221 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cc(Cl)ccc2OC)cc1 ZINC000011708412 818110857 /nfs/dbraw/zinc/11/08/57/818110857.db2.gz QWPSGNJFRJCKBI-UONOGXRCSA-N 1 0 376.884 4.425 20 0 GIADRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@@H]3CCN(c4ccccc4F)C3)c2C1 ZINC000572294390 823315078 /nfs/dbraw/zinc/31/50/78/823315078.db2.gz MTVJVWDJBBAXAW-GOSISDBHSA-N 1 0 381.495 4.262 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@@H]1CCSc2ccccc21 ZINC000460196332 823313155 /nfs/dbraw/zinc/31/31/55/823313155.db2.gz WJDHEGAFNFLHFF-WIYYLYMNSA-N 1 0 380.557 4.389 20 0 GIADRO C[NH+](C)CCN(Cc1ccco1)C(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000176868448 823313745 /nfs/dbraw/zinc/31/37/45/823313745.db2.gz AFLZNZNRZMOYBF-IBGZPJMESA-N 1 0 375.900 4.158 20 0 GIADRO CC[N@H+](C[C@@H](O)COc1cc(Cl)ccc1Cl)[C@@H]1CCOC(C)(C)C1 ZINC000572289958 823314067 /nfs/dbraw/zinc/31/40/67/823314067.db2.gz ZJMSOQIJOQLPHU-HUUCEWRRSA-N 1 0 376.324 4.013 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)CCc3nc(-c4ccccc4)no3)C2)s1 ZINC000572291353 823314380 /nfs/dbraw/zinc/31/43/80/823314380.db2.gz KHYWENGFEYQDGC-GOSISDBHSA-N 1 0 396.560 4.103 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)N(Cc1ccccn1)C1CC1 ZINC000057633035 823316498 /nfs/dbraw/zinc/31/64/98/823316498.db2.gz JMVHIUJFSHSGJS-UHFFFAOYSA-N 1 0 392.547 4.332 20 0 GIADRO Cc1nc(CCCC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cs1 ZINC000176883309 823317098 /nfs/dbraw/zinc/31/70/98/823317098.db2.gz HYCBGVWMBXJVJI-DYESRHJHSA-N 1 0 385.577 4.286 20 0 GIADRO CC(C)C(=O)Nc1cccc(NC(=O)c2ccc(C[NH+]3CCSCC3)cc2)c1 ZINC000409824825 823317825 /nfs/dbraw/zinc/31/78/25/823317825.db2.gz AYWUIFTZTLNGTD-UHFFFAOYSA-N 1 0 397.544 4.082 20 0 GIADRO C[NH+](C)CCOc1cccc(NC(=O)c2csc(CCc3ccccc3)n2)c1 ZINC000409833352 823319932 /nfs/dbraw/zinc/31/99/32/823319932.db2.gz SBIJOMIRCGJRHT-UHFFFAOYSA-N 1 0 395.528 4.121 20 0 GIADRO c1coc(-c2nc(CN3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@H]4C3)cs2)c1 ZINC000572326506 823321283 /nfs/dbraw/zinc/32/12/83/823321283.db2.gz WUOANNGAQALCRV-OALUTQOASA-N 1 0 379.529 4.357 20 0 GIADRO Cc1cc(=NC(=O)NCc2ccccc2C[NH+]2CCCC2)[nH]n1C1CCCCC1 ZINC000572327291 823321663 /nfs/dbraw/zinc/32/16/63/823321663.db2.gz ARJORCGVHAFWKY-UHFFFAOYSA-N 1 0 395.551 4.036 20 0 GIADRO CCC[N@H+](Cc1cn2cc(C)ccc2n1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000176910296 823322413 /nfs/dbraw/zinc/32/24/13/823322413.db2.gz MVUUXJZWTRHFTD-UHFFFAOYSA-N 1 0 390.531 4.160 20 0 GIADRO CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH2+][C@H]1CCOc2c(Br)cccc21 ZINC000409845364 823323810 /nfs/dbraw/zinc/32/38/10/823323810.db2.gz YXOKJBKTJYECNG-VBQJREDUSA-N 1 0 395.341 4.042 20 0 GIADRO COc1ccc2cc([C@@H](C)[NH2+]CC(=O)N[C@H]3CCOc4ccccc43)ccc2c1 ZINC000409845357 823323970 /nfs/dbraw/zinc/32/39/70/823323970.db2.gz YXDQUJVJTQIVDY-ZHRRBRCNSA-N 1 0 390.483 4.139 20 0 GIADRO COc1ccc2cc([C@@H](C)[NH2+]CC(=O)N[C@@H]3CCOc4ccccc43)ccc2c1 ZINC000409845356 823323982 /nfs/dbraw/zinc/32/39/82/823323982.db2.gz YXDQUJVJTQIVDY-OPAMFIHVSA-N 1 0 390.483 4.139 20 0 GIADRO C[C@@H](O)[C@](C)(C[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1)Cc1ccccc1 ZINC000188907220 823326505 /nfs/dbraw/zinc/32/65/05/823326505.db2.gz WQEMLKIWSQRBDS-RHGYRFJNSA-N 1 0 395.547 4.251 20 0 GIADRO CCC[NH+]1CCC(CNC(=O)Nc2ccc(Cl)cc2OC(F)F)CC1 ZINC000460230711 823324770 /nfs/dbraw/zinc/32/47/70/823324770.db2.gz JKYHZUKMWVGYND-UHFFFAOYSA-N 1 0 375.847 4.185 20 0 GIADRO C[C@@H](O)[C@](C)(C[NH2+][C@@H](C)c1ncc(Br)s1)Cc1ccccc1 ZINC000188899791 823324868 /nfs/dbraw/zinc/32/48/68/823324868.db2.gz PMVXFPMFHCTIBG-AHIWAGSCSA-N 1 0 383.355 4.186 20 0 GIADRO CC1CC[NH+](C[C@H]2CCCN(Cc3ccc(SC(=O)N(C)C)cc3)C2)CC1 ZINC000176928662 823326517 /nfs/dbraw/zinc/32/65/17/823326517.db2.gz RWDLPCVJVXMHPV-HXUWFJFHSA-N 1 0 389.609 4.404 20 0 GIADRO Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@](C)(Cc2ccccc2)[C@@H](C)O)c1C ZINC000188909892 823326931 /nfs/dbraw/zinc/32/69/31/823326931.db2.gz YCHXEWVVMKNXCN-MFSJNOQSSA-N 1 0 382.548 4.240 20 0 GIADRO CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000572359419 823327188 /nfs/dbraw/zinc/32/71/88/823327188.db2.gz HUKNSUHHWWOPOM-RTBURBONSA-N 1 0 397.567 4.107 20 0 GIADRO O=C(CC[N@@H+]1CC[C@H](c2cccnc2)C1)N[C@@H](c1cccs1)c1ccccc1 ZINC000572360102 823327222 /nfs/dbraw/zinc/32/72/22/823327222.db2.gz GJLZDKHDKIAQTP-NZQKXSOJSA-N 1 0 391.540 4.228 20 0 GIADRO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)NCCCSc2ccccc2)cc1 ZINC000015300736 818310136 /nfs/dbraw/zinc/31/01/36/818310136.db2.gz HGPMZBBWKJHUOB-OAQYLSRUSA-N 1 0 384.545 4.131 20 0 GIADRO Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000572364731 823328100 /nfs/dbraw/zinc/32/81/00/823328100.db2.gz QMOIXXWLSMMBES-FKEBYFGASA-N 1 0 377.532 4.042 20 0 GIADRO CC1(NC(=O)Nc2nc(C3CC3)c(Cc3ccc(F)cc3)s2)CC[NH2+]CC1 ZINC000572374568 823329197 /nfs/dbraw/zinc/32/91/97/823329197.db2.gz CABOSSVDWPSKME-UHFFFAOYSA-N 1 0 388.512 4.014 20 0 GIADRO C[C@@H](O)[C@](C)(C[NH2+]C1CCN(CCc2ccc(F)cc2)CC1)Cc1ccccc1 ZINC000188929155 823329661 /nfs/dbraw/zinc/32/96/61/823329661.db2.gz XLQWUFWDSAZAFM-NLFFAJNJSA-N 1 0 398.566 4.052 20 0 GIADRO COc1ccc([C@H](CNC(=O)Nc2ccc(OC(C)C)cc2)[NH+]2CCCC2)cc1 ZINC000057772889 823330539 /nfs/dbraw/zinc/33/05/39/823330539.db2.gz ROOZASRFPWLSFG-QFIPXVFZSA-N 1 0 397.519 4.441 20 0 GIADRO C[NH+](C)Cc1ccnc(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)c1 ZINC000176943457 823330994 /nfs/dbraw/zinc/33/09/94/823330994.db2.gz RGSHHGCHXZZNAL-UHFFFAOYSA-N 1 0 388.682 4.121 20 0 GIADRO CCn1c(-c2sccc2C)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000460252693 823331285 /nfs/dbraw/zinc/33/12/85/823331285.db2.gz ORDOXBKBZBPAGR-UHFFFAOYSA-N 1 0 381.549 4.047 20 0 GIADRO COC[C@@H]([NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1)c1cccc(Cl)c1 ZINC000572387993 823331423 /nfs/dbraw/zinc/33/14/23/823331423.db2.gz FGCXZBUQWKIKGL-OAQYLSRUSA-N 1 0 386.923 4.443 20 0 GIADRO Cc1cc(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)ccc1NC(=O)c1ccco1 ZINC000057790363 823333344 /nfs/dbraw/zinc/33/33/44/823333344.db2.gz PPGPOUWWSZVILK-UHFFFAOYSA-N 1 0 398.507 4.271 20 0 GIADRO COc1ccc(CCCN(C)C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000057789768 823333424 /nfs/dbraw/zinc/33/34/24/823333424.db2.gz WZNLSCBRTYBRRI-HSZRJFAPSA-N 1 0 395.547 4.106 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)NC(c2cccs2)c2cccs2)cc1 ZINC000122292416 823333469 /nfs/dbraw/zinc/33/34/69/823333469.db2.gz CBGSBEOKPHCOPX-UHFFFAOYSA-N 1 0 385.558 4.460 20 0 GIADRO Cc1ccc(-c2nc(CC[NH2+][C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)co2)cc1 ZINC000122293754 823333582 /nfs/dbraw/zinc/33/35/82/823333582.db2.gz JVIAWWVUDDTTAF-RBUKOAKNSA-N 1 0 385.508 4.228 20 0 GIADRO Cc1ccc(-c2nc(CC[NH2+][C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)co2)cc1 ZINC000122293389 823333602 /nfs/dbraw/zinc/33/36/02/823333602.db2.gz JVIAWWVUDDTTAF-OALUTQOASA-N 1 0 385.508 4.228 20 0 GIADRO CC[C@H](NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)c1nc(C)cs1 ZINC000460264204 823334549 /nfs/dbraw/zinc/33/45/49/823334549.db2.gz GZTDSUIEHMXDOD-ZCNNSNEGSA-N 1 0 398.576 4.066 20 0 GIADRO COc1cccc([C@@H](CNC(=S)Nc2cccc(C(F)(F)F)c2)[NH+](C)C)c1 ZINC000016242632 818409661 /nfs/dbraw/zinc/40/96/61/818409661.db2.gz HZSISGDFARWRBM-QGZVFWFLSA-N 1 0 397.466 4.303 20 0 GIADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1cccc([C@@H](C)OC)c1 ZINC000176959005 823334899 /nfs/dbraw/zinc/33/48/99/823334899.db2.gz OHEHZCCROHFMKX-GCJKJVERSA-N 1 0 396.535 4.307 20 0 GIADRO COc1cccc([C@H](CNC(=S)Nc2ccc(C)cc2C)[NH+]2CCCC2)c1 ZINC000016244967 818410336 /nfs/dbraw/zinc/41/03/36/818410336.db2.gz FEHXFFFGUDDZJR-NRFANRHFSA-N 1 0 383.561 4.436 20 0 GIADRO C[C@H](NCc1ccccc1OCC[NH+](C)C)c1ccccc1Br ZINC000122303397 823335115 /nfs/dbraw/zinc/33/51/15/823335115.db2.gz PIBUVMXFGFIFJP-HNNXBMFYSA-N 1 0 377.326 4.240 20 0 GIADRO COCOc1ccc(OC)cc1C[NH2+][C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000122303356 823335355 /nfs/dbraw/zinc/33/53/55/823335355.db2.gz BNRURUPHEWVYIS-LJQANCHMSA-N 1 0 393.430 4.447 20 0 GIADRO COc1ccc([C@@H](CNC(=S)Nc2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000016315635 818421978 /nfs/dbraw/zinc/42/19/78/818421978.db2.gz UBEFMZKFCROZBC-LJQANCHMSA-N 1 0 389.952 4.472 20 0 GIADRO COc1cccc(/C(C)=C/C(=O)Nc2ccccc2C[NH+]2CCSCC2)c1 ZINC000176962978 823336026 /nfs/dbraw/zinc/33/60/26/823336026.db2.gz SMAZACNPMDCCHP-SAPNQHFASA-N 1 0 382.529 4.286 20 0 GIADRO COc1cc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)ccc1OC(C)C ZINC000016506636 818451221 /nfs/dbraw/zinc/45/12/21/818451221.db2.gz XRTODZWZNYQPPI-UHFFFAOYSA-N 1 0 396.531 4.398 20 0 GIADRO Cc1ccc(C(=O)CCC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000016506726 818451291 /nfs/dbraw/zinc/45/12/91/818451291.db2.gz GOGTZSNQVQOJOX-UHFFFAOYSA-N 1 0 378.516 4.260 20 0 GIADRO CC(C)n1cnc(C(=O)Nc2ccc(C[N@H+](C[C@H]3CCCCO3)C(C)C)cc2)c1 ZINC000409899542 823339243 /nfs/dbraw/zinc/33/92/43/823339243.db2.gz DWWQOVJQGWWTBN-OAQYLSRUSA-N 1 0 398.551 4.496 20 0 GIADRO C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[N@H+](Cc2cc(=O)n3ccsc3n2)C1 ZINC000122331404 823339524 /nfs/dbraw/zinc/33/95/24/823339524.db2.gz QYHQDNXLUGAYRS-MLGOLLRUSA-N 1 0 393.434 4.358 20 0 GIADRO C[C@H](Cn1ccc2ccccc21)c1nc(-c2cccc(OCC[NH+](C)C)c2)no1 ZINC000572442748 823339724 /nfs/dbraw/zinc/33/97/24/823339724.db2.gz CFTFYRKLIAALBL-QGZVFWFLSA-N 1 0 390.487 4.435 20 0 GIADRO C[NH+](C)[C@@H](CNC(=S)Nc1cccc(Br)c1)c1cccc(F)c1 ZINC000016943918 818489975 /nfs/dbraw/zinc/48/99/75/818489975.db2.gz GZWYRXIAQQYHOA-INIZCTEOSA-N 1 0 396.329 4.178 20 0 GIADRO C[N@@H+](Cc1ccccc1)CC1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000057843874 823340488 /nfs/dbraw/zinc/34/04/88/823340488.db2.gz ILFNWHOSECNUPN-UHFFFAOYSA-N 1 0 382.533 4.142 20 0 GIADRO C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2C(=O)c2ccccc2)CCC1(F)F ZINC000572446233 823340882 /nfs/dbraw/zinc/34/08/82/823340882.db2.gz LNWWDFWZFKEMMU-MRXNPFEDSA-N 1 0 386.442 4.223 20 0 GIADRO CCn1c(C2CCC2)nnc1N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000460287755 823341051 /nfs/dbraw/zinc/34/10/51/823341051.db2.gz FKOIBUUYFAZSEE-QHCPKHFHSA-N 1 0 379.552 4.058 20 0 GIADRO CC[C@@H](C(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)c1ccc(F)cc1 ZINC000122340512 823341082 /nfs/dbraw/zinc/34/10/82/823341082.db2.gz URSJSOHJIJJSKW-TZIWHRDSSA-N 1 0 396.506 4.424 20 0 GIADRO Cc1nc(-c2ccccc2Br)sc1[C@@H](C)[NH2+][C@@H](C)C(=O)N(C)C ZINC000189007029 823341142 /nfs/dbraw/zinc/34/11/42/823341142.db2.gz CWRXBZWFPDUTNT-PWSUYJOCSA-N 1 0 396.354 4.008 20 0 GIADRO Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)[NH2+][C@@H](C)C(=O)N(C)C ZINC000189009909 823341682 /nfs/dbraw/zinc/34/16/82/823341682.db2.gz HFLGWMMXLKVQHT-JQWIXIFHSA-N 1 0 396.354 4.008 20 0 GIADRO COc1ccc(C[C@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3nc(C)c(C)s3)C2)cc1 ZINC000572451336 823341954 /nfs/dbraw/zinc/34/19/54/823341954.db2.gz OFMXQOVUBPTNEC-MAUKXSAKSA-N 1 0 387.549 4.050 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1ccc(OCc2ccccc2)cc1)c1cccs1 ZINC000017795970 818527525 /nfs/dbraw/zinc/52/75/25/818527525.db2.gz FDJQRSPVRRQXGR-FQEVSTJZSA-N 1 0 380.513 4.360 20 0 GIADRO Fc1ccc(Cn2cc(C[NH2+]Cc3ccc(Br)s3)cn2)cc1 ZINC000189019215 823342674 /nfs/dbraw/zinc/34/26/74/823342674.db2.gz HJMFGCLAIKCSNS-UHFFFAOYSA-N 1 0 380.286 4.184 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)c2ccncc2Cl)CC1 ZINC000572458459 823343573 /nfs/dbraw/zinc/34/35/73/823343573.db2.gz CGPABVRFRVQJFJ-UHFFFAOYSA-N 1 0 380.275 4.114 20 0 GIADRO CCc1ncc(C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)s1 ZINC000572458489 823343675 /nfs/dbraw/zinc/34/36/75/823343675.db2.gz ISKQRZCUUQTGDX-UHFFFAOYSA-N 1 0 379.913 4.084 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@@H]2CCCc3c(O)cccc32)CC1 ZINC000189026424 823344021 /nfs/dbraw/zinc/34/40/21/823344021.db2.gz XEOQPTSUNROPCE-VGOFRKELSA-N 1 0 393.531 4.294 20 0 GIADRO CCOc1ccc(-c2noc(CN3CCC(C[NH+]4CCCCCC4)CC3)n2)cc1 ZINC000057888693 823345312 /nfs/dbraw/zinc/34/53/12/823345312.db2.gz UVLGJQGTMCFWGB-UHFFFAOYSA-N 1 0 398.551 4.223 20 0 GIADRO CCn1c(N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)nnc1C(C)(C)C ZINC000460301072 823345311 /nfs/dbraw/zinc/34/53/11/823345311.db2.gz PVYMIGKFVZHXDM-HSZRJFAPSA-N 1 0 381.568 4.088 20 0 GIADRO COc1cccc2cc([C@H](C)[NH2+][C@@H]3CCN(Cc4ccc(F)cc4)C3=O)oc21 ZINC000189053930 823349435 /nfs/dbraw/zinc/34/94/35/823349435.db2.gz XESQOLLGDKEXER-KBXCAEBGSA-N 1 0 382.435 4.032 20 0 GIADRO [NH3+]C1(c2noc(-c3cnn(-c4ccccc4)c3C(F)(F)F)n2)CCCCC1 ZINC000572474816 823346677 /nfs/dbraw/zinc/34/66/77/823346677.db2.gz SETMYDWXOAWBBW-UHFFFAOYSA-N 1 0 377.370 4.059 20 0 GIADRO CO[C@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000460304810 823346894 /nfs/dbraw/zinc/34/68/94/823346894.db2.gz MPRLENVIAKQHFE-OAQYLSRUSA-N 1 0 386.923 4.056 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C)c1ccc(-n2cncn2)cc1 ZINC000122384450 823347231 /nfs/dbraw/zinc/34/72/31/823347231.db2.gz NSAAULLIZRUEED-ILZDJORESA-N 1 0 399.539 4.001 20 0 GIADRO Fc1ccc(NC(=S)NCc2ccccc2C[NH+]2CCCCC2)c(F)c1 ZINC000018945263 818581938 /nfs/dbraw/zinc/58/19/38/818581938.db2.gz XFAPRCBZWDZXFQ-UHFFFAOYSA-N 1 0 375.488 4.437 20 0 GIADRO CO[C@H](CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000460312668 823349601 /nfs/dbraw/zinc/34/96/01/823349601.db2.gz NZNVMBVWZYVWAP-TZIWHRDSSA-N 1 0 386.923 4.056 20 0 GIADRO C[NH+](C)CCCN(Cc1ccccc1)C(=S)NCCSc1ccccc1 ZINC000057911271 823347623 /nfs/dbraw/zinc/34/76/23/823347623.db2.gz JXGJGBYPERSWFD-UHFFFAOYSA-N 1 0 387.618 4.107 20 0 GIADRO Fc1ccc(Cn2cc(C[NH2+]Cc3cc(Br)cs3)cn2)cc1 ZINC000189049482 823348157 /nfs/dbraw/zinc/34/81/57/823348157.db2.gz YIYBHOOLHHLMCZ-UHFFFAOYSA-N 1 0 380.286 4.184 20 0 GIADRO O[C@@H](C[NH2+]Cc1cccc(OC(F)F)c1)c1ccc(OC(F)(F)F)cc1 ZINC000057974008 823351978 /nfs/dbraw/zinc/35/19/78/823351978.db2.gz RSWKXQLVWGDOLX-HNNXBMFYSA-N 1 0 377.309 4.010 20 0 GIADRO Fc1ccc(Cn2cc(C[NH2+][C@H](c3ccc4c(c3)OCCO4)C3CC3)cn2)cc1 ZINC000189072275 823352328 /nfs/dbraw/zinc/35/23/28/823352328.db2.gz GKTUSACQWHJGNT-QHCPKHFHSA-N 1 0 393.462 4.083 20 0 GIADRO Cn1cc(C[NH2+]Cc2ccc(-c3ccc4c(c3)CCO4)cc2)c(-c2ccncc2)n1 ZINC000057979067 823352731 /nfs/dbraw/zinc/35/27/31/823352731.db2.gz IPISOIQVJHRNQM-UHFFFAOYSA-N 1 0 396.494 4.374 20 0 GIADRO CCOc1cc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)ccc1OC ZINC000177028355 823353473 /nfs/dbraw/zinc/35/34/73/823353473.db2.gz UJDKQOZKMXDTFQ-YLJYHZDGSA-N 1 0 397.519 4.269 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)N1CCC[C@@H]1CC1CCCCC1 ZINC000057991839 823353566 /nfs/dbraw/zinc/35/35/66/823353566.db2.gz UPSVPHZLWJJTQB-JOCHJYFZSA-N 1 0 384.568 4.190 20 0 GIADRO CC[NH+](CC)CCN(CC(C)C)C(=O)Nc1ccccc1-n1nc(C)cc1C ZINC000058025213 823355414 /nfs/dbraw/zinc/35/54/14/823355414.db2.gz RHPQSTYKIQHJAI-UHFFFAOYSA-N 1 0 385.556 4.321 20 0 GIADRO C[C@@H](OC[C@H](O)C[N@H+](C)Cc1cnn(-c2ccccc2)c1)c1ccc(Cl)cc1 ZINC000057948980 823349932 /nfs/dbraw/zinc/34/99/32/823349932.db2.gz DFXSAVFWPHZQKY-VGOFRKELSA-N 1 0 399.922 4.096 20 0 GIADRO CC[C@H](Cc1ccccc1)N(C)C(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000460316346 823350811 /nfs/dbraw/zinc/35/08/11/823350811.db2.gz ABBTUXANDTWBNE-JOCHJYFZSA-N 1 0 382.573 4.329 20 0 GIADRO CCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000460316572 823350941 /nfs/dbraw/zinc/35/09/41/823350941.db2.gz JVALEAMOTLTXQP-LJQANCHMSA-N 1 0 399.608 4.353 20 0 GIADRO C[C@@H](Cc1cnccn1)[NH2+][C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000572505837 823351077 /nfs/dbraw/zinc/35/10/77/823351077.db2.gz HAZUXWRKEKXTNF-YWZLYKJASA-N 1 0 397.320 4.139 20 0 GIADRO CCCOc1ccc(C[NH+]2CCC(C(=O)N3CCCC3)CC2)c(OCCC)c1 ZINC000122445944 823355699 /nfs/dbraw/zinc/35/56/99/823355699.db2.gz QSXZJAMCBUZWRL-UHFFFAOYSA-N 1 0 388.552 4.099 20 0 GIADRO Cc1nn(C)c(=O)c(-c2nc(C[N@@H+]3CCC[C@H]3C3CCCCC3)cs2)c1C ZINC000177035645 823355970 /nfs/dbraw/zinc/35/59/70/823355970.db2.gz DIRLSZMKZYFHIJ-SFHVURJKSA-N 1 0 386.565 4.065 20 0 GIADRO O=C(N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)C1(C(F)F)CCCC1 ZINC000572560316 823360987 /nfs/dbraw/zinc/36/09/87/823360987.db2.gz OOEHAFCLQPBIHB-HNNXBMFYSA-N 1 0 390.396 4.221 20 0 GIADRO Cc1nn(C)c(=O)c(-c2nc(C[N@@H+]3CCC[C@@H]3C3CCCCC3)cs2)c1C ZINC000177035627 823356151 /nfs/dbraw/zinc/35/61/51/823356151.db2.gz DIRLSZMKZYFHIJ-GOSISDBHSA-N 1 0 386.565 4.065 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)NCc1ccc(-c2nc3ccccc3s2)o1 ZINC000409965341 823356594 /nfs/dbraw/zinc/35/65/94/823356594.db2.gz RDIZUFGRMIMPSN-HNNXBMFYSA-N 1 0 398.532 4.230 20 0 GIADRO COc1c(F)cc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1F ZINC000177039192 823356730 /nfs/dbraw/zinc/35/67/30/823356730.db2.gz UBTPSRFIVLPQQT-GDBMZVCRSA-N 1 0 389.446 4.148 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C3SCCCS3)cc2)[C@H](C)C1 ZINC000122483437 823361114 /nfs/dbraw/zinc/36/11/14/823361114.db2.gz TXQQXLYORWCKGG-CRAIPNDOSA-N 1 0 378.607 4.358 20 0 GIADRO COc1ccc([C@@H](CNC(=O)/C=C/c2ccccc2F)[NH+]2CCCCC2)cc1 ZINC000058056309 823357910 /nfs/dbraw/zinc/35/79/10/823357910.db2.gz SWQICBPHEXJANB-YDYPUGOESA-N 1 0 382.479 4.191 20 0 GIADRO CC(C)(CNC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)c1cccs1 ZINC000460340088 823358235 /nfs/dbraw/zinc/35/82/35/823358235.db2.gz GQSANJZRMMWYRJ-WOJBJXKFSA-N 1 0 397.588 4.189 20 0 GIADRO O=C(CCc1cnn(-c2ccccc2)c1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000021707987 818728576 /nfs/dbraw/zinc/72/85/76/818728576.db2.gz VVWVRCHMAVORGX-UHFFFAOYSA-N 1 0 394.563 4.110 20 0 GIADRO O=C(CCCOc1cccc(F)c1)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000572549165 823358886 /nfs/dbraw/zinc/35/88/86/823358886.db2.gz KCZMAGZVLKXBLG-XMMPIXPASA-N 1 0 396.506 4.109 20 0 GIADRO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]([NH2+]C[C@@H]1CCCO1)c1ccccc1 ZINC000021818354 818739337 /nfs/dbraw/zinc/73/93/37/818739337.db2.gz AYBKYFMXMBPLCZ-ROUUACIJSA-N 1 0 378.394 4.154 20 0 GIADRO C[NH+](C)CCN(C(=O)c1cc(Cl)ccc1Br)C1CCCCC1 ZINC000572550647 823359494 /nfs/dbraw/zinc/35/94/94/823359494.db2.gz UEXYLPVVYNSEJE-UHFFFAOYSA-N 1 0 387.749 4.439 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(NC(=O)C2CCC2)c1)c1cccc(N2CCCC2=O)c1 ZINC000122472182 823359584 /nfs/dbraw/zinc/35/95/84/823359584.db2.gz IHURAFYHTLWTHW-KRWDZBQOSA-N 1 0 391.515 4.403 20 0 GIADRO Cc1ccc(NC(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)cc1OC(F)F ZINC000572553559 823359859 /nfs/dbraw/zinc/35/98/59/823359859.db2.gz ORVYLIPPXDJKQS-HNNXBMFYSA-N 1 0 377.435 4.238 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)C[C@@H](C)c3c(C)noc3C)C2)s1 ZINC000572556192 823360080 /nfs/dbraw/zinc/36/00/80/823360080.db2.gz AXBIQTRAIHYEJQ-RDTXWAMCSA-N 1 0 389.565 4.135 20 0 GIADRO Cc1ccc(-c2c[nH]cc2C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)s1 ZINC000189122095 823360467 /nfs/dbraw/zinc/36/04/67/823360467.db2.gz ICEXQRZMBJTRTC-UHFFFAOYSA-N 1 0 397.544 4.312 20 0 GIADRO CCCOc1c(Cl)cc(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)cc1OCC ZINC000409978302 823360581 /nfs/dbraw/zinc/36/05/81/823360581.db2.gz QAFZRCBERCKBGL-MRXNPFEDSA-N 1 0 396.959 4.378 20 0 GIADRO CS[C@@H]1CN(CCOC(c2ccccc2)c2ccccc2)C[C@H]1[NH+]1CCCC1 ZINC000460354079 823362087 /nfs/dbraw/zinc/36/20/87/823362087.db2.gz SATAXRKPQXEWRA-DHIUTWEWSA-N 1 0 396.600 4.304 20 0 GIADRO CC(C)[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cc2c(cc1Cl)OCCCO2 ZINC000460355600 823362465 /nfs/dbraw/zinc/36/24/65/823362465.db2.gz WVMPCYLXEDMQPD-GOEBONIOSA-N 1 0 380.916 4.244 20 0 GIADRO CC(C)[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cc2c(cc1Cl)OCCCO2 ZINC000460355602 823362482 /nfs/dbraw/zinc/36/24/82/823362482.db2.gz WVMPCYLXEDMQPD-ZBFHGGJFSA-N 1 0 380.916 4.244 20 0 GIADRO CS[C@@H]1CN(Cc2ncc(-c3cccc(Cl)c3)o2)C[C@H]1[NH+]1CCCC1 ZINC000460357417 823362931 /nfs/dbraw/zinc/36/29/31/823362931.db2.gz SQBAIDMYIXUENP-SJLPKXTDSA-N 1 0 377.941 4.007 20 0 GIADRO CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000460366025 823365023 /nfs/dbraw/zinc/36/50/23/823365023.db2.gz PZYFIEHKFWUWQD-JXFKEZNVSA-N 1 0 388.943 4.244 20 0 GIADRO C[C@@H](NC(=O)C[NH+]1CCC([C@@H]2CCCO2)CC1)c1ccc(Cl)cc1Cl ZINC000189147848 823365208 /nfs/dbraw/zinc/36/52/08/823365208.db2.gz PKKQNGIZKRMQIF-ACJLOTCBSA-N 1 0 385.335 4.062 20 0 GIADRO C[C@@H](NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccccc1Oc1ccccc1 ZINC000572585727 823365702 /nfs/dbraw/zinc/36/57/02/823365702.db2.gz MITBKBVAVNHIHT-QRVBRYPASA-N 1 0 379.504 4.181 20 0 GIADRO C[C@@H](Sc1ccc(Cl)cc1)C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000022682548 818842829 /nfs/dbraw/zinc/84/28/29/818842829.db2.gz YLBIYXUOXRXYBW-ACJLOTCBSA-N 1 0 380.916 4.379 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1ccc(NC(=O)c2cccs2)cc1)C1CCCCC1 ZINC000058191312 823368171 /nfs/dbraw/zinc/36/81/71/823368171.db2.gz OBXMIWIJEKUARK-IBGZPJMESA-N 1 0 399.560 4.241 20 0 GIADRO CCCC[N@H+](C)CC1CCN(Cc2nc3cc(Br)ccc3[nH]2)CC1 ZINC000460390934 823373649 /nfs/dbraw/zinc/37/36/49/823373649.db2.gz WVVFXWVXMVQXRJ-UHFFFAOYSA-N 1 0 393.373 4.269 20 0 GIADRO COc1ccc(C[NH2+][C@H](C)c2ccc(Br)cc2)c(OC)c1OC ZINC000022783585 818860293 /nfs/dbraw/zinc/86/02/93/818860293.db2.gz DNUKIDJVXODQMI-GFCCVEGCSA-N 1 0 380.282 4.326 20 0 GIADRO O=C(Nc1ccccc1)c1ccc(CN2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000022836241 818865858 /nfs/dbraw/zinc/86/58/58/818865858.db2.gz OBFMOKHQLYEKJA-UHFFFAOYSA-N 1 0 399.538 4.299 20 0 GIADRO C[C@H]([NH2+]CCC(=O)N1CCc2ccccc2C1)c1ccc(-c2cccnc2)cc1 ZINC000189168592 823369414 /nfs/dbraw/zinc/36/94/14/823369414.db2.gz VPWZAIHBOHKZJD-IBGZPJMESA-N 1 0 385.511 4.374 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1ccccc1OC[C@H]1CCCO1)c1ccccc1 ZINC000022870956 818868520 /nfs/dbraw/zinc/86/85/20/818868520.db2.gz KQJWVEGMHYVVFD-IFMALSPDSA-N 1 0 396.531 4.057 20 0 GIADRO CN(C(=O)c1cnccc1Oc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000410005740 823369520 /nfs/dbraw/zinc/36/95/20/823369520.db2.gz UJCLNAHPIKSAHS-FQEVSTJZSA-N 1 0 387.483 4.220 20 0 GIADRO COc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC([C@H]3CCCO3)CC2)cc1 ZINC000189172231 823369662 /nfs/dbraw/zinc/36/96/62/823369662.db2.gz BBTHTTYAPSIECK-PKTZIBPZSA-N 1 0 394.515 4.266 20 0 GIADRO Cc1ccc(-n2ncc(C(=O)N[C@@H]3C[C@@H](C)[N@@H+](C4CC4)C3)c2C2CC2)cc1Cl ZINC000177094224 823369740 /nfs/dbraw/zinc/36/97/40/823369740.db2.gz UFALWKPOECLBJF-GDBMZVCRSA-N 1 0 398.938 4.067 20 0 GIADRO Cc1ccc([C@H]2CCCCCN2C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)o1 ZINC000572614967 823369837 /nfs/dbraw/zinc/36/98/37/823369837.db2.gz NUDSFOGCCIYPOB-RTBURBONSA-N 1 0 376.566 4.249 20 0 GIADRO c1ccc(C(c2ccccc2)[NH+]2CCN(Cc3nc4ccccc4[nH]3)CC2)cc1 ZINC000022922503 818876995 /nfs/dbraw/zinc/87/69/95/818876995.db2.gz QZVFWRNPSIELSW-UHFFFAOYSA-N 1 0 382.511 4.470 20 0 GIADRO CC(C)[NH+]1CCN(c2cccc(NC(=O)/C=C/SCc3ccco3)c2)CC1 ZINC000122563097 823373339 /nfs/dbraw/zinc/37/33/39/823373339.db2.gz BHELVGRLMZJIJX-RIYZIHGNSA-N 1 0 385.533 4.196 20 0 GIADRO COc1cc(C(=O)NC2CC[NH+](C(C)C)CC2)cc(Cl)c1OCCC(C)C ZINC000022989521 818884941 /nfs/dbraw/zinc/88/49/41/818884941.db2.gz VROKFQJIYGWTLX-UHFFFAOYSA-N 1 0 396.959 4.376 20 0 GIADRO CCOCCC1(C[NH2+][C@H](C)c2ccc(NS(=O)(=O)CC)cc2)CCCC1 ZINC000122550135 823370965 /nfs/dbraw/zinc/37/09/65/823370965.db2.gz XIAIJKQEJMTPNA-QGZVFWFLSA-N 1 0 382.570 4.086 20 0 GIADRO COc1ccccc1[C@H](C)CC(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000122551632 823371193 /nfs/dbraw/zinc/37/11/93/823371193.db2.gz YYOIIKQWNODYIZ-LJQANCHMSA-N 1 0 395.547 4.358 20 0 GIADRO COc1ccc(NC(=O)[C@H](C)[NH2+]C(c2ccccc2)c2ccccc2)cc1OC ZINC000058271974 823373494 /nfs/dbraw/zinc/37/34/94/823373494.db2.gz BBWLAIQSHYOFQQ-KRWDZBQOSA-N 1 0 390.483 4.410 20 0 GIADRO CCS[C@@H]1CC[C@@H](N(C)C(=O)NCc2ccccc2C[N@H+](C)C(C)C)C1 ZINC000122554929 823371689 /nfs/dbraw/zinc/37/16/89/823371689.db2.gz LMZVUUNNKKXFCB-WOJBJXKFSA-N 1 0 377.598 4.342 20 0 GIADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)Cc2ccccc2Cl)CC1 ZINC000023138729 818903068 /nfs/dbraw/zinc/90/30/68/818903068.db2.gz CEXBWZJMOFQPAS-UHFFFAOYSA-N 1 0 392.330 4.317 20 0 GIADRO C[C@H](OC[C@H](O)C[NH2+]C[C@@H]1CSc2ccccc21)c1ccc(Cl)cc1 ZINC000572632360 823371809 /nfs/dbraw/zinc/37/18/09/823371809.db2.gz ZOSWCNNABRNYLX-YXJHDRRASA-N 1 0 377.937 4.258 20 0 GIADRO Cc1ncc(C[NH2+]C[C@H](O)CO[C@H](c2ccccc2)c2ccc(C)cc2)s1 ZINC000572631994 823371957 /nfs/dbraw/zinc/37/19/57/823371957.db2.gz ODFNNSAFYFZIQK-RBBKRZOGSA-N 1 0 382.529 4.017 20 0 GIADRO CCCCOc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H]3[C@H]3CCCOC3)o2)cc1 ZINC000572636854 823372787 /nfs/dbraw/zinc/37/27/87/823372787.db2.gz FEILNJPLOPUQQF-AZUAARDMSA-N 1 0 385.508 4.307 20 0 GIADRO C[C@H]1CN(C(=O)c2ccc(C[NH2+]Cc3cc4ccccc4s3)cc2)C[C@H](C)O1 ZINC000177105321 823372764 /nfs/dbraw/zinc/37/27/64/823372764.db2.gz YQKOROXCGCNYIC-IRXDYDNUSA-N 1 0 394.540 4.441 20 0 GIADRO O=C(Nc1ccccc1)Nc1ccc(C(=O)NCCC[NH+]2CCCCCC2)cc1 ZINC000023236984 818916029 /nfs/dbraw/zinc/91/60/29/818916029.db2.gz SRJHHRRRQUPQFZ-UHFFFAOYSA-N 1 0 394.519 4.327 20 0 GIADRO C[C@@H]([NH2+]CCC(=O)N1CCc2ccccc2C1)c1nc(-c2ccccc2)cs1 ZINC000189198646 823374251 /nfs/dbraw/zinc/37/42/51/823374251.db2.gz FKNIIOQDWQOKCI-QGZVFWFLSA-N 1 0 391.540 4.436 20 0 GIADRO O=C(CN1CCC[N@H+](Cc2ccccc2)CC1)Nc1c(Cl)cccc1Cl ZINC000023354681 818927050 /nfs/dbraw/zinc/92/70/50/818927050.db2.gz CIAOKNDZZYZHJG-UHFFFAOYSA-N 1 0 392.330 4.140 20 0 GIADRO C[N@@H+](Cc1ccc(OC(F)F)cc1)C[C@@H](O)COc1ccc2ccccc2c1 ZINC000023390132 818932190 /nfs/dbraw/zinc/93/21/90/818932190.db2.gz HNROZWNUGAVCGZ-LJQANCHMSA-N 1 0 387.426 4.313 20 0 GIADRO Cc1cc(Cl)ccc1NC(=O)CN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000572651928 823375551 /nfs/dbraw/zinc/37/55/51/823375551.db2.gz ZNRMTDSGOLROGP-VQTJNVASSA-N 1 0 397.950 4.041 20 0 GIADRO O[C@@H](C[C@H]1CCC[N@@H+]1Cc1ccc(OCc2ccncc2)cc1)c1ccco1 ZINC000177121338 823376082 /nfs/dbraw/zinc/37/60/82/823376082.db2.gz WXFRILAVMNUGJQ-IRLDBZIGSA-N 1 0 378.472 4.342 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(-c3noc(CC(C)(C)C)n3)c2)[C@H](C)C1 ZINC000122580712 823376327 /nfs/dbraw/zinc/37/63/27/823376327.db2.gz WFSORARAXBMGLI-VQIMIIECSA-N 1 0 398.551 4.128 20 0 GIADRO Brc1ccc(C[NH2+]C[C@@H]2CSCCS2)cc1Br ZINC000125188649 823657813 /nfs/dbraw/zinc/65/78/13/823657813.db2.gz YEEBEHPLNZTQMS-SNVBAGLBSA-N 1 0 397.201 4.150 20 0 GIADRO CC(C)c1ccccc1OC[C@H](O)C[NH2+][C@@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000023675053 818971597 /nfs/dbraw/zinc/97/15/97/818971597.db2.gz LFNBDRGPTUSSAJ-NTKDMRAZSA-N 1 0 399.531 4.308 20 0 GIADRO CC(C)(CNC(=O)c1ccc(-n2cnc3ccccc32)cc1)[NH+]1CCCCC1 ZINC000023735778 818977326 /nfs/dbraw/zinc/97/73/26/818977326.db2.gz DNYVYESHTCJUIS-UHFFFAOYSA-N 1 0 376.504 4.020 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)Cc1coc2cc(C)ccc12)[NH+]1CCCC1 ZINC000023979375 819001687 /nfs/dbraw/zinc/00/16/87/819001687.db2.gz VACUWRVIKCBNJT-NRFANRHFSA-N 1 0 392.499 4.246 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)CCc1ccccc1Cl)[NH+]1CCCC1 ZINC000023979377 819001790 /nfs/dbraw/zinc/00/17/90/819001790.db2.gz BDTPWCNPRCGSLH-HXUWFJFHSA-N 1 0 386.923 4.235 20 0 GIADRO COCCC1(C[NH2+]CC2(N[C@H](C)c3ccccc3)CCOCC2)CCCCC1 ZINC000189231707 823379301 /nfs/dbraw/zinc/37/93/01/823379301.db2.gz SRNPTFFKXHXHNO-OAQYLSRUSA-N 1 0 388.596 4.463 20 0 GIADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000572670955 823379455 /nfs/dbraw/zinc/37/94/55/823379455.db2.gz JBVGBIGRUQPSFV-OYSPMZIOSA-N 1 0 395.469 4.220 20 0 GIADRO NC(=O)c1csc(C[NH2+]C(Cc2ccccc2F)Cc2ccccc2F)c1 ZINC000122602186 823379496 /nfs/dbraw/zinc/37/94/96/823379496.db2.gz RZVVWEHZRSHVAQ-UHFFFAOYSA-N 1 0 386.467 4.069 20 0 GIADRO CCOC1CC(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000189266491 823383800 /nfs/dbraw/zinc/38/38/00/823383800.db2.gz BHMRDKOLUCORMV-WKXIVMOISA-N 1 0 380.573 4.349 20 0 GIADRO CCCOc1c(Cl)cc(C(=O)NCc2ccccc2C[NH+](C)C)cc1OC ZINC000024084098 819021213 /nfs/dbraw/zinc/02/12/13/819021213.db2.gz UVMKWNYVGZZSNN-UHFFFAOYSA-N 1 0 390.911 4.129 20 0 GIADRO COc1cc(C[NH2+][C@H](c2ccc(C(C)(C)C)cc2)C(C)C)ccc1OCC(N)=O ZINC000024083873 819021337 /nfs/dbraw/zinc/02/13/37/819021337.db2.gz NBVPFRSTPJTIAC-QHCPKHFHSA-N 1 0 398.547 4.344 20 0 GIADRO CN1CCC[C@@H](C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)[C@@H]1c1cccs1 ZINC000189243586 823380793 /nfs/dbraw/zinc/38/07/93/823380793.db2.gz VWFACVOUKUMRGI-SIKLNZKXSA-N 1 0 398.551 4.305 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2 ZINC000024182851 819030455 /nfs/dbraw/zinc/03/04/55/819030455.db2.gz DKDVKGWZCHKYSY-UHFFFAOYSA-N 1 0 395.547 4.250 20 0 GIADRO O=C(CCc1nc2ccccc2o1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000024186564 819030945 /nfs/dbraw/zinc/03/09/45/819030945.db2.gz CBYROJYOEIZSIC-UHFFFAOYSA-N 1 0 377.488 4.063 20 0 GIADRO C[N@H+](Cc1ccccc1NCC(=O)NCc1ccccc1F)C1CCCCC1 ZINC000024220267 819036150 /nfs/dbraw/zinc/03/61/50/819036150.db2.gz IWDYNAAUTQVKKU-UHFFFAOYSA-N 1 0 383.511 4.319 20 0 GIADRO Cc1sc([C@H](C)NC(=O)NC[C@H]2CCC[N@@H+]2C)nc1-c1ccc(Cl)cc1 ZINC000122611865 823381471 /nfs/dbraw/zinc/38/14/71/823381471.db2.gz LFUMUIBLEDIRPL-BLLLJJGKSA-N 1 0 392.956 4.226 20 0 GIADRO CCCN(CC[NH+](CC)CC)Cc1nnc(-c2ccccc2Br)o1 ZINC000122614747 823381967 /nfs/dbraw/zinc/38/19/67/823381967.db2.gz CKHGEOMJQFKYJY-UHFFFAOYSA-N 1 0 395.345 4.053 20 0 GIADRO CCC[NH+]1CCC(N(C)c2nnc(C3CCC3)n2CCc2ccccc2)CC1 ZINC000460418548 823382753 /nfs/dbraw/zinc/38/27/53/823382753.db2.gz GHAAWOWKEVTCEH-UHFFFAOYSA-N 1 0 381.568 4.099 20 0 GIADRO C[C@@H]([NH2+]Cc1cnn(Cc2ccc(F)cc2)c1)c1cccc(-n2cccn2)c1 ZINC000189262323 823383055 /nfs/dbraw/zinc/38/30/55/823383055.db2.gz XPBSCMYWKRIATR-QGZVFWFLSA-N 1 0 375.451 4.107 20 0 GIADRO Cc1oc(-c2cccs2)nc1CC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000024487533 819063626 /nfs/dbraw/zinc/06/36/26/819063626.db2.gz KTXDQWGFHITQQP-UHFFFAOYSA-N 1 0 395.528 4.166 20 0 GIADRO CCc1c(C(=O)NCc2ccc(C[NH+](C)C)cc2)cnn1-c1cccc(Cl)c1 ZINC000024572460 819073163 /nfs/dbraw/zinc/07/31/63/819073163.db2.gz KYSMIVBEINTUGA-UHFFFAOYSA-N 1 0 396.922 4.080 20 0 GIADRO CC(=O)Nc1ccc(C[NH2+][C@@H](C)[C@@H](OC2CCOCC2)c2ccccc2)cc1 ZINC000122629779 823384703 /nfs/dbraw/zinc/38/47/03/823384703.db2.gz IQIOYLSQTJUNAY-GAJHUEQPSA-N 1 0 382.504 4.060 20 0 GIADRO CCCn1ncc(NC(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)c1C1CC1 ZINC000572696701 823384815 /nfs/dbraw/zinc/38/48/15/823384815.db2.gz AVRLJIUPMIRMSK-ROUUACIJSA-N 1 0 395.551 4.297 20 0 GIADRO COc1ccc(C2(C[NH2+]Cc3ccc4nc(C)ccc4c3)CCOCC2)cc1 ZINC000189280756 823385933 /nfs/dbraw/zinc/38/59/33/823385933.db2.gz BTHIDTJJBLUJPL-UHFFFAOYSA-N 1 0 376.500 4.390 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)cc1 ZINC000189282788 823386523 /nfs/dbraw/zinc/38/65/23/823386523.db2.gz KKSHFCICQSQKGQ-QGZVFWFLSA-N 1 0 389.478 4.415 20 0 GIADRO C[C@@H]1C[C@H](CCNC(=O)NCC2CCC(F)(F)CC2)C[N@@H+]1Cc1ccccc1 ZINC000410085627 823386919 /nfs/dbraw/zinc/38/69/19/823386919.db2.gz IAPZZKSIJNYZKN-XLIONFOSSA-N 1 0 393.522 4.412 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)NCC2CCC(F)(F)CC2)[C@H]1c1cccs1 ZINC000410089111 823387481 /nfs/dbraw/zinc/38/74/81/823387481.db2.gz RJCRQLXYZPTEDF-WBVHZDCISA-N 1 0 385.524 4.256 20 0 GIADRO CCc1noc(-c2ccc(C)c(NC(=O)NC[C@H](c3ccccc3)[NH+](C)C)c2)n1 ZINC000177162401 823387571 /nfs/dbraw/zinc/38/75/71/823387571.db2.gz RGBRVVRQTBCODV-LJQANCHMSA-N 1 0 393.491 4.032 20 0 GIADRO C[C@@H]1CCN(C(=O)NCC2CCC(F)(F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000410089014 823387621 /nfs/dbraw/zinc/38/76/21/823387621.db2.gz RXGOUNFVCYNDEN-QGZVFWFLSA-N 1 0 379.495 4.118 20 0 GIADRO Cc1ccc(NC(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)c(C[NH+](C)C)c1 ZINC000177162862 823387877 /nfs/dbraw/zinc/38/78/77/823387877.db2.gz CXMLBSDBYZRDOM-GOSISDBHSA-N 1 0 381.303 4.426 20 0 GIADRO C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1cccc(COCC(F)(F)C(F)F)c1 ZINC000572717781 823388067 /nfs/dbraw/zinc/38/80/67/823388067.db2.gz CGTDUTJOYHGYMW-AWEZNQCLSA-N 1 0 378.410 4.066 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)c1 ZINC000058417115 823388190 /nfs/dbraw/zinc/38/81/90/823388190.db2.gz LOAKHWXPCBCOHX-UHFFFAOYSA-N 1 0 394.519 4.343 20 0 GIADRO O=C(CC[C@H]1CCOC1)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000177165243 823388581 /nfs/dbraw/zinc/38/85/81/823388581.db2.gz IUQVXCOALIJNQO-NRFANRHFSA-N 1 0 392.543 4.382 20 0 GIADRO CC(C)(c1csc(-c2cc(F)ccc2F)n1)c1nc(C2([NH3+])CCC2)no1 ZINC000572721072 823388807 /nfs/dbraw/zinc/38/88/07/823388807.db2.gz PJYFYTURVASRCQ-UHFFFAOYSA-N 1 0 376.432 4.135 20 0 GIADRO CCC[N@@H+]1CC[C@H](CNC(=O)N(C)[C@H](C)Cc2ccccc2C(F)(F)F)C1 ZINC000572747183 823392123 /nfs/dbraw/zinc/39/21/23/823392123.db2.gz BGAMSMVKNLOZIF-HZPDHXFCSA-N 1 0 385.474 4.010 20 0 GIADRO COc1ccccc1-c1nnc(SC[C@H](C)[NH+](C)C)n1-c1ccc(C)cc1 ZINC000460447426 823392286 /nfs/dbraw/zinc/39/22/86/823392286.db2.gz LFGNVPMFXCKVAH-INIZCTEOSA-N 1 0 382.533 4.294 20 0 GIADRO COc1ccc2[nH]c(C(=O)N(C)[C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)cc2c1 ZINC000189314385 823392361 /nfs/dbraw/zinc/39/23/61/823392361.db2.gz XNNMSBUCTOZXAA-PXNSSMCTSA-N 1 0 391.515 4.302 20 0 GIADRO COc1cc(C[NH2+]CCc2ccc3[nH]ccc3c2)cc(OC)c1OCC(F)F ZINC000572755998 823393129 /nfs/dbraw/zinc/39/31/29/823393129.db2.gz OFVCJZNVORZXNU-UHFFFAOYSA-N 1 0 390.430 4.161 20 0 GIADRO CCOCCC1(C[NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)CCCC1 ZINC000189297404 823389800 /nfs/dbraw/zinc/38/98/00/823389800.db2.gz FOPIYDWJUCKEIC-UHFFFAOYSA-N 1 0 398.547 4.170 20 0 GIADRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)Nc1ccc2nc(C3CC3)oc2c1 ZINC000177169956 823389848 /nfs/dbraw/zinc/38/98/48/823389848.db2.gz SNKGPJAFADEFNC-UHFFFAOYSA-N 1 0 396.466 4.440 20 0 GIADRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)NCC1CCC(F)(F)CC1 ZINC000410106771 823393679 /nfs/dbraw/zinc/39/36/79/823393679.db2.gz QQKITPJMBJRJHV-UHFFFAOYSA-N 1 0 385.524 4.085 20 0 GIADRO C[C@@H]1C[NH+](CCC2CCN(C(=O)Nc3ccsc3Cl)CC2)C[C@@H](C)O1 ZINC000189303473 823390877 /nfs/dbraw/zinc/39/08/77/823390877.db2.gz QNZXIMIJKYDXRB-ZIAGYGMSSA-N 1 0 385.961 4.145 20 0 GIADRO CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H](CO)c2cccc(Cl)c2F)cc1 ZINC000410099758 823391180 /nfs/dbraw/zinc/39/11/80/823391180.db2.gz MOPCBXNGUCGCMZ-LJQANCHMSA-N 1 0 392.902 4.174 20 0 GIADRO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)c1ccc(Oc2ccccc2)o1 ZINC000572744212 823391572 /nfs/dbraw/zinc/39/15/72/823391572.db2.gz PNLLCQKILCHJNB-UHFFFAOYSA-N 1 0 379.460 4.061 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)c2nnc(-c3ccoc3)n2CCc2ccccc2)C[C@H]1C ZINC000460453312 823394265 /nfs/dbraw/zinc/39/42/65/823394265.db2.gz ILZWTCLJEXDPHK-NQIIRXRSSA-N 1 0 393.535 4.090 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC1CCC(F)(F)CC1 ZINC000410111490 823395023 /nfs/dbraw/zinc/39/50/23/823395023.db2.gz ZMILKGBZKXILEL-FQEVSTJZSA-N 1 0 393.522 4.366 20 0 GIADRO CC(C)(C)OC(=O)N1CCC([NH2+]Cc2ccc(NC(=O)c3ccco3)cc2)CC1 ZINC000177193924 823395627 /nfs/dbraw/zinc/39/56/27/823395627.db2.gz RYBSXHDZDSUMAN-UHFFFAOYSA-N 1 0 399.491 4.021 20 0 GIADRO COc1ccc([C@H]([NH2+]CCc2nnc(C)s2)C(C)C)c(Br)c1 ZINC000572768653 823395799 /nfs/dbraw/zinc/39/57/99/823395799.db2.gz OVVRJLBIXHXMJB-MRXNPFEDSA-N 1 0 384.343 4.147 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)CC[N@@H+]1C ZINC000122701631 823397282 /nfs/dbraw/zinc/39/72/82/823397282.db2.gz IRVINXUKAAZZKQ-IUODEOHRSA-N 1 0 397.466 4.384 20 0 GIADRO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]CC(C)(C)c1ccc2c(c1)OCO2 ZINC000058476245 823397379 /nfs/dbraw/zinc/39/73/79/823397379.db2.gz KHXKJSGIBDQMDZ-UHFFFAOYSA-N 1 0 391.515 4.344 20 0 GIADRO C[C@H]([NH2+]C[C@H](c1ccccc1Cl)N1CCOCC1)c1cccnc1Cl ZINC000122706804 823397815 /nfs/dbraw/zinc/39/78/15/823397815.db2.gz KYCYONAQTIMTPY-KBXCAEBGSA-N 1 0 380.319 4.113 20 0 GIADRO C[C@@H]([NH2+][C@H](c1ccc(Cl)cc1)C1CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177185141 823394144 /nfs/dbraw/zinc/39/41/44/823394144.db2.gz UJUHSVNXAKPMCJ-VLIAUNLRSA-N 1 0 392.952 4.392 20 0 GIADRO CCCOc1c(Br)cc(C[NH2+][C@H]2CC[C@H](O)CC2)cc1OCC ZINC000572790134 823399096 /nfs/dbraw/zinc/39/90/96/823399096.db2.gz OFCRAYGRBOSUGR-SHTZXODSSA-N 1 0 386.330 4.030 20 0 GIADRO COc1cc(NC(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)cc(OC)c1 ZINC000058522462 823403555 /nfs/dbraw/zinc/40/35/55/823403555.db2.gz DCYYDHSCOCWVGU-QGZVFWFLSA-N 1 0 397.519 4.400 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)[C@@H](C)Oc2cccc(C(C)C)c2)CC1 ZINC000410136575 823399436 /nfs/dbraw/zinc/39/94/36/823399436.db2.gz WLZSYFXJVQRSBS-LJQANCHMSA-N 1 0 395.547 4.358 20 0 GIADRO CCC[N@H+](CCC(=O)NC1CCCC1)Cc1nnc(-c2ccccc2Cl)o1 ZINC000177212516 823400505 /nfs/dbraw/zinc/40/05/05/823400505.db2.gz ASAWBASVBHDGRM-UHFFFAOYSA-N 1 0 390.915 4.051 20 0 GIADRO COc1ccc2c(c1F)CC[C@@H]2Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000572797427 823400580 /nfs/dbraw/zinc/40/05/80/823400580.db2.gz WAFNNTZRGBOXGV-QFIPXVFZSA-N 1 0 395.522 4.466 20 0 GIADRO Fc1ccc(Cn2cc(C[NH2+][C@H](C[C@H]3CCOC3)c3ccccc3)cn2)cc1 ZINC000189360626 823400756 /nfs/dbraw/zinc/40/07/56/823400756.db2.gz UKIXHPSQCFXPCN-AUSIDOKSSA-N 1 0 379.479 4.328 20 0 GIADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)sc2Cl)C1 ZINC000058500614 823401002 /nfs/dbraw/zinc/40/10/02/823401002.db2.gz NYRGJDWJKLSXTF-GRYCIOLGSA-N 1 0 397.393 4.081 20 0 GIADRO Cc1ccc2cc(CNc3cccc(C[NH+]4CCC(CO)CC4)c3)ccc2n1 ZINC000189378014 823404307 /nfs/dbraw/zinc/40/43/07/823404307.db2.gz ZHTKLXGZCQQZHV-UHFFFAOYSA-N 1 0 375.516 4.360 20 0 GIADRO CC(C)c1ccc([C@H](C)CC(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)cc1 ZINC000460485222 823404738 /nfs/dbraw/zinc/40/47/38/823404738.db2.gz CIOJOFBDYJMUSA-OAQYLSRUSA-N 1 0 399.623 4.370 20 0 GIADRO O=C(CCOc1ccc(Cl)cc1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000058531958 823404958 /nfs/dbraw/zinc/40/49/58/823404958.db2.gz XIVWAACYSUWGOC-UHFFFAOYSA-N 1 0 390.886 4.029 20 0 GIADRO CCn1cc(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)c2ccccc21 ZINC000058531621 823404996 /nfs/dbraw/zinc/40/49/96/823404996.db2.gz FWONNRWMSYDOGN-UHFFFAOYSA-N 1 0 379.479 4.195 20 0 GIADRO c1cn(-c2ccc(C[NH+]3CCC(c4nc5ccccc5s4)CC3)cn2)cn1 ZINC000177231591 823405826 /nfs/dbraw/zinc/40/58/26/823405826.db2.gz CALZWCPSTLTYCZ-UHFFFAOYSA-N 1 0 375.501 4.257 20 0 GIADRO COc1cccc([C@H](CNC(=O)Nc2ccsc2Cl)[NH+]2CCCC2)c1 ZINC000189386931 823405943 /nfs/dbraw/zinc/40/59/43/823405943.db2.gz QSJWWSUAGWXTES-INIZCTEOSA-N 1 0 379.913 4.369 20 0 GIADRO CC[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cn1c(=S)nc2nc(C)cc(C)n21 ZINC000058539360 823406117 /nfs/dbraw/zinc/40/61/17/823406117.db2.gz KKTUZXAYRKDJRL-RTBURBONSA-N 1 0 381.549 4.493 20 0 GIADRO CCN(CC)C(=O)C1CC[NH+](Cc2c3c(ccc2O)oc2c3CCCC2)CC1 ZINC000058539531 823406206 /nfs/dbraw/zinc/40/62/06/823406206.db2.gz YJFXIHVTELLBDN-UHFFFAOYSA-N 1 0 384.520 4.098 20 0 GIADRO C[N@@H+]1CCCN(c2nc(-c3ccsc3)nc3sc4c(c32)CCCC4)CC1 ZINC000058540991 823406499 /nfs/dbraw/zinc/40/64/99/823406499.db2.gz MSHAXWYIWRTUNW-UHFFFAOYSA-N 1 0 384.574 4.441 20 0 GIADRO CSc1cccc(F)c1CNC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000572828677 823406674 /nfs/dbraw/zinc/40/66/74/823406674.db2.gz XLUCBNDQPIHEIR-UHFFFAOYSA-N 1 0 387.524 4.143 20 0 GIADRO C[NH+]1CCC(CCNC(=O)N2CCC[C@H]2c2ccccc2Br)CC1 ZINC000122761469 823407601 /nfs/dbraw/zinc/40/76/01/823407601.db2.gz IOGYMPOTMOAZTQ-SFHVURJKSA-N 1 0 394.357 4.028 20 0 GIADRO O=C(C1CC[NH+](C2CC2)CC1)N1CCCc2c(Cl)ccc(Br)c21 ZINC000411113871 823548815 /nfs/dbraw/zinc/54/88/15/823548815.db2.gz WKPUEFZOCGTZJR-UHFFFAOYSA-N 1 0 397.744 4.256 20 0 GIADRO Cc1c(C(=O)NC2CC[NH+](C3CCCCC3)CC2)cnn1-c1ccccc1C ZINC000177246518 823408867 /nfs/dbraw/zinc/40/88/67/823408867.db2.gz PAZRAAFRQFQWME-UHFFFAOYSA-N 1 0 380.536 4.016 20 0 GIADRO C[C@H](O)C[C@@H](C[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1)c1ccccc1 ZINC000572841353 823408064 /nfs/dbraw/zinc/40/80/64/823408064.db2.gz RCSJKSQWFOXUKU-OYDLWJJNSA-N 1 0 378.560 4.328 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000122769250 823408898 /nfs/dbraw/zinc/40/88/98/823408898.db2.gz ALDYWKKIWTYFER-YADARESESA-N 1 0 391.515 4.287 20 0 GIADRO COc1ccc(OC)c([C@H](C)[NH2+]Cc2c(C)nn(Cc3ccccc3)c2C)c1 ZINC000122768434 823408925 /nfs/dbraw/zinc/40/89/25/823408925.db2.gz RSYVYXMQVOXEBK-INIZCTEOSA-N 1 0 379.504 4.416 20 0 GIADRO C[N@H+](CCc1c(F)cccc1Cl)C1CCN(CCc2ccccn2)CC1 ZINC000177255763 823410767 /nfs/dbraw/zinc/41/07/67/823410767.db2.gz ZQENPUDWKMMLPK-UHFFFAOYSA-N 1 0 375.919 4.056 20 0 GIADRO CN(Cc1ncc(-c2cccc(F)c2)o1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177255734 823410851 /nfs/dbraw/zinc/41/08/51/823410851.db2.gz HEHGQNKJZVACHB-UHFFFAOYSA-N 1 0 394.494 4.015 20 0 GIADRO C[C@@H]([NH2+]Cc1cnn(-c2ccccc2)c1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000122782942 823411545 /nfs/dbraw/zinc/41/15/45/823411545.db2.gz QQAXWSVOKPCITL-DVECYGJZSA-N 1 0 391.515 4.287 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1)c1ccccc1-n1cccn1 ZINC000177257066 823411515 /nfs/dbraw/zinc/41/15/15/823411515.db2.gz DYGIYXYOEOCBFJ-DLBZAZTESA-N 1 0 376.460 4.241 20 0 GIADRO COc1ccc([C@H](CNC(=O)NCc2ccc(C)s2)[NH+]2CCCCC2)cc1 ZINC000410180845 823412710 /nfs/dbraw/zinc/41/27/10/823412710.db2.gz APGVQNSVZBJEHH-FQEVSTJZSA-N 1 0 387.549 4.092 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C[C@@H](C)c2ccc(Br)cc2)C1 ZINC000122792808 823413068 /nfs/dbraw/zinc/41/30/68/823413068.db2.gz DZTQMDLGIOAPNP-HZPDHXFCSA-N 1 0 381.358 4.133 20 0 GIADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)cc1 ZINC000177247488 823409028 /nfs/dbraw/zinc/40/90/28/823409028.db2.gz CPYLHNDXIDPHTA-AOMKIAJQSA-N 1 0 398.503 4.174 20 0 GIADRO O=C(CCOc1ccc(F)cc1Cl)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177252710 823410025 /nfs/dbraw/zinc/41/00/25/823410025.db2.gz FRGUCLMTHBJHSU-UHFFFAOYSA-N 1 0 382.907 4.161 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)NCc1cc(F)cc(F)c1 ZINC000410172603 823410130 /nfs/dbraw/zinc/41/01/30/823410130.db2.gz RWOYTMDZTNVISD-UHFFFAOYSA-N 1 0 377.435 4.007 20 0 GIADRO CC(=O)Nc1ccc(C)c(C(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)c1 ZINC000189434103 823415176 /nfs/dbraw/zinc/41/51/76/823415176.db2.gz XBBRHHIYGCAYAS-UHFFFAOYSA-N 1 0 393.531 4.115 20 0 GIADRO [NH3+]CC12CCC(CC1)CN2C(=O)[C@@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000572893902 823415370 /nfs/dbraw/zinc/41/53/70/823415370.db2.gz DQUBKEFOVBVKIR-RHHVBKFUSA-N 1 0 390.527 4.099 20 0 GIADRO COc1ccc(SCCC(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000177269011 823415775 /nfs/dbraw/zinc/41/57/75/823415775.db2.gz HMGDQOSFAAKWIY-UHFFFAOYSA-N 1 0 376.566 4.091 20 0 GIADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1cnn(-c2ccccc2)c1C1CC1 ZINC000177270268 823416117 /nfs/dbraw/zinc/41/61/17/823416117.db2.gz MIFUQVWJZNIXAS-UHFFFAOYSA-N 1 0 392.547 4.277 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCC(C)(C3CC3)CC2)[C@@H]1c1cccs1 ZINC000460525114 823419234 /nfs/dbraw/zinc/41/92/34/823419234.db2.gz HOLXIFOBIPBJKA-VQIMIIECSA-N 1 0 375.582 4.353 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)C1(c2cccc(F)c2)CCC1)[NH+]1CCCC1 ZINC000058612427 823416892 /nfs/dbraw/zinc/41/68/92/823416892.db2.gz YGBKRZHKXKLUIF-OAQYLSRUSA-N 1 0 396.506 4.209 20 0 GIADRO CCOc1ccccc1[C@@H](CC)[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177276957 823418523 /nfs/dbraw/zinc/41/85/23/823418523.db2.gz PFIJBDISFMDVTJ-OXJNMPFZSA-N 1 0 390.549 4.138 20 0 GIADRO C[C@@H]([NH2+]CC(C)(C)c1ccc2c(c1)OCO2)c1cccc(N2CCOC2=O)c1 ZINC000122824814 823418606 /nfs/dbraw/zinc/41/86/06/823418606.db2.gz HFXFUPYJKNBBCX-OAHLLOKOSA-N 1 0 382.460 4.000 20 0 GIADRO FC(F)(F)c1cccnc1OCC[NH2+]Cc1cnc(-c2ccsc2)s1 ZINC000122844275 823422064 /nfs/dbraw/zinc/42/20/64/823422064.db2.gz MCNBPVUIYDLYEQ-UHFFFAOYSA-N 1 0 385.436 4.454 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N[C@@H]1CCCC[C@H]1OC(F)F ZINC000410216836 823422834 /nfs/dbraw/zinc/42/28/34/823422834.db2.gz FJLMDCKEUXLHRR-RTBURBONSA-N 1 0 395.494 4.022 20 0 GIADRO Clc1cnccc1C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000572934369 823423015 /nfs/dbraw/zinc/42/30/15/823423015.db2.gz PZZCUOYCIQQLGT-DYESRHJHSA-N 1 0 380.879 4.339 20 0 GIADRO FC(F)(F)CN1CCC(C[NH2+]Cc2ccccc2OCc2cccnc2)CC1 ZINC000189471388 823424357 /nfs/dbraw/zinc/42/43/57/823424357.db2.gz MGSCSMHUYAWJBT-UHFFFAOYSA-N 1 0 393.453 4.025 20 0 GIADRO COc1ccc(C[C@@H](CO)C[NH2+]CCCc2c(Cl)cccc2Cl)cc1O ZINC000572921500 823419977 /nfs/dbraw/zinc/41/99/77/823419977.db2.gz NOTOPSOGWLFQLB-OAHLLOKOSA-N 1 0 398.330 4.081 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC000177295508 823424559 /nfs/dbraw/zinc/42/45/59/823424559.db2.gz ZJWPSVHMENQNFX-SFHVURJKSA-N 1 0 391.515 4.334 20 0 GIADRO C[C@H](CNC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)Cc1cccs1 ZINC000460528749 823420936 /nfs/dbraw/zinc/42/09/36/823420936.db2.gz QFJXJPFTXPLEKD-CEWLAPEOSA-N 1 0 397.588 4.090 20 0 GIADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C2(Cc3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC000189476496 823425362 /nfs/dbraw/zinc/42/53/62/823425362.db2.gz BSQKBWSLTAWEHR-QGZVFWFLSA-N 1 0 398.469 4.145 20 0 GIADRO COc1cc(C[NH2+]CC2=CCN(C(=O)OC(C)(C)C)CC2)ccc1SC ZINC000189479054 823426103 /nfs/dbraw/zinc/42/61/03/823426103.db2.gz BYQDMVWDOXRALA-UHFFFAOYSA-N 1 0 378.538 4.074 20 0 GIADRO Cn1cc(NC(=O)N2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000572953111 823426262 /nfs/dbraw/zinc/42/62/62/823426262.db2.gz HVQVVQZFCSBYOS-QFIPXVFZSA-N 1 0 395.551 4.109 20 0 GIADRO COc1cc(NC(=O)CC[NH2+][C@@H]2CC[C@@H]3CCC[C@@H]3C2)c(OC)cc1Cl ZINC000572953215 823426269 /nfs/dbraw/zinc/42/62/69/823426269.db2.gz DIXYNGAMMZLVDC-RRFJBIMHSA-N 1 0 380.916 4.244 20 0 GIADRO Cc1ccc(NC(=O)CS[C@H](C)C(=O)Nc2cc(C[NH+](C)C)ccc2C)cc1 ZINC000177303751 823427228 /nfs/dbraw/zinc/42/72/28/823427228.db2.gz XCLIYBBACVTIDC-QGZVFWFLSA-N 1 0 399.560 4.064 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)C1CCC(NC(=O)CC2CCCC2)CC1 ZINC000177312004 823429530 /nfs/dbraw/zinc/42/95/30/823429530.db2.gz QVHWDDJFABNVCZ-UHFFFAOYSA-N 1 0 399.579 4.250 20 0 GIADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(C)(C)Cc3ccc(C(F)(F)F)cc3)CC[C@H]21 ZINC000189487198 823428082 /nfs/dbraw/zinc/42/80/82/823428082.db2.gz ONZUCUFTMYCKKF-SJLPKXTDSA-N 1 0 382.470 4.217 20 0 GIADRO CCOc1ccc(NC(=O)N(C)[C@H]2CC[N@H+](CC)C[C@H]2C)cc1Br ZINC000189487544 823428385 /nfs/dbraw/zinc/42/83/85/823428385.db2.gz OTKZBVREZWYEKY-CJNGLKHVSA-N 1 0 398.345 4.042 20 0 GIADRO CC[C@@H](Cc1ccccc1Br)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000177309070 823428664 /nfs/dbraw/zinc/42/86/64/823428664.db2.gz ZNNSZTRRLXHTDY-INIZCTEOSA-N 1 0 393.369 4.008 20 0 GIADRO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@H]1COCc2ccccc21 ZINC000572975561 823428950 /nfs/dbraw/zinc/42/89/50/823428950.db2.gz QOTSRLCLWVXLCR-UGSOOPFHSA-N 1 0 378.394 4.284 20 0 GIADRO CC(C)(C)OC(=O)N1CC=C(C[NH2+]Cc2cc(Br)cs2)CC1 ZINC000189497379 823431110 /nfs/dbraw/zinc/43/11/10/823431110.db2.gz SYQQYRIQRLKHOF-UHFFFAOYSA-N 1 0 387.343 4.167 20 0 GIADRO CC(=O)c1cccc(OCCCC(=O)N2C[C@H]3CCC[N@@H+]3Cc3ccccc32)c1 ZINC000058688284 823431583 /nfs/dbraw/zinc/43/15/83/823431583.db2.gz SXFBETZFVXYVEK-OAQYLSRUSA-N 1 0 392.499 4.059 20 0 GIADRO Cc1ccc(C[NH2+][C@@H](C)c2cccc(Br)c2)c(N2CCOCC2)c1 ZINC000410242948 823431766 /nfs/dbraw/zinc/43/17/66/823431766.db2.gz VPGQZTLAODRGBF-INIZCTEOSA-N 1 0 389.337 4.445 20 0 GIADRO Cc1ccc(C[NH2+][C@H](C)c2cccc(Br)c2)c(N2CCOCC2)c1 ZINC000410242949 823431777 /nfs/dbraw/zinc/43/17/77/823431777.db2.gz VPGQZTLAODRGBF-MRXNPFEDSA-N 1 0 389.337 4.445 20 0 GIADRO COc1cc(C[NH2+]CC2=CCN(C(=O)OC(C)(C)C)CC2)cc(Cl)c1OC ZINC000189499208 823431778 /nfs/dbraw/zinc/43/17/78/823431778.db2.gz BDZCJADWJYRCQH-UHFFFAOYSA-N 1 0 396.915 4.014 20 0 GIADRO O=C(NCCC[NH+]1CCCCC1)Nc1cccc(NC(=O)C2CCCCC2)c1 ZINC000177327268 823434915 /nfs/dbraw/zinc/43/49/15/823434915.db2.gz NPMWOOGURPZTBE-UHFFFAOYSA-N 1 0 386.540 4.203 20 0 GIADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)Nc1cccc(NC(=O)C2CCCCC2)c1 ZINC000177321518 823432544 /nfs/dbraw/zinc/43/25/44/823432544.db2.gz USKRJHCTYXBYOU-KRWDZBQOSA-N 1 0 386.540 4.011 20 0 GIADRO O=C(Nc1cccc(NC(=O)N2CC[NH+](C3CCCC3)CC2)c1)C1CCCCC1 ZINC000177322216 823432823 /nfs/dbraw/zinc/43/28/23/823432823.db2.gz IJGNSKINPWDPMC-UHFFFAOYSA-N 1 0 398.551 4.298 20 0 GIADRO COc1ccccc1C(C)(C)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000058694634 823432925 /nfs/dbraw/zinc/43/29/25/823432925.db2.gz BRKUONMYVVWYPT-UHFFFAOYSA-N 1 0 395.547 4.142 20 0 GIADRO CC1CC[NH+]([C@@H](CNC(=O)N[C@@H]2CCc3cc(N)ccc32)c2cccs2)CC1 ZINC000573022266 823434692 /nfs/dbraw/zinc/43/46/92/823434692.db2.gz YGBZKMRGJBDIKT-UXHICEINSA-N 1 0 398.576 4.090 20 0 GIADRO C[NH+]1CCC(NC(=O)CC2(Cc3nc4ccccc4s3)CCCCC2)CC1 ZINC000122913235 823433329 /nfs/dbraw/zinc/43/33/29/823433329.db2.gz LGRPKZITORMNER-UHFFFAOYSA-N 1 0 385.577 4.390 20 0 GIADRO Cc1ccc(C(=O)Nc2ccccc2C[NH+](C)C)cc1NC(=O)c1ccco1 ZINC000024644384 819858831 /nfs/dbraw/zinc/85/88/31/819858831.db2.gz BOKFBXRHHLQOMB-UHFFFAOYSA-N 1 0 377.444 4.154 20 0 GIADRO COC(=O)[C@@H](NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)c1ccc(F)cc1 ZINC000573012156 823433380 /nfs/dbraw/zinc/43/33/80/823433380.db2.gz BNKKDARXWVEZEM-JTSKRJEESA-N 1 0 384.495 4.204 20 0 GIADRO O=C(Nc1cccc(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c1)C1CCCCC1 ZINC000177324728 823433838 /nfs/dbraw/zinc/43/38/38/823433838.db2.gz JATKAONGFJQWEQ-OAQYLSRUSA-N 1 0 398.551 4.298 20 0 GIADRO CCC[N@H+](CC)C[C@H](C)NCc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000573023274 823434963 /nfs/dbraw/zinc/43/49/63/823434963.db2.gz IFGOLQOGQROCFN-IBGZPJMESA-N 1 0 377.536 4.144 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)CCc1cc(Br)cs1 ZINC000177328536 823435198 /nfs/dbraw/zinc/43/51/98/823435198.db2.gz LONBJFRXZVERQE-UHFFFAOYSA-N 1 0 381.339 4.452 20 0 GIADRO c1ccc(CN2C[C@@H](c3ccccc3)[C@H]([NH2+][C@@H]3CCC34CCOCC4)C2)cc1 ZINC000573024312 823435386 /nfs/dbraw/zinc/43/53/86/823435386.db2.gz AJECAQLGHLEEBB-RBZQAINGSA-N 1 0 376.544 4.203 20 0 GIADRO CCC[N@H+](CC)C[C@H](C)NC(=O)Nc1ccc(Cc2nc(C(C)C)no2)cc1 ZINC000573024167 823435570 /nfs/dbraw/zinc/43/55/70/823435570.db2.gz UEXICXRKVSKCOL-INIZCTEOSA-N 1 0 387.528 4.026 20 0 GIADRO O=C(Nc1cccnc1-c1ccc(Cl)s1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000189519039 823435696 /nfs/dbraw/zinc/43/56/96/823435696.db2.gz CSGAAHQKSCYMOJ-ZDUSSCGKSA-N 1 0 376.913 4.166 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)CC[N@@H+]1C ZINC000177331754 823436021 /nfs/dbraw/zinc/43/60/21/823436021.db2.gz CCRCDSIGAADOQO-OXQOHEQNSA-N 1 0 386.540 4.152 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)c2ccc(CN3CCCCC3=O)cc2)c1 ZINC000024927952 819896507 /nfs/dbraw/zinc/89/65/07/819896507.db2.gz JMLZKSBHCFYZIM-UHFFFAOYSA-N 1 0 393.531 4.293 20 0 GIADRO CCc1ccc(C[C@H](Cc2ccc(Cl)cc2)[NH2+][C@H]2CCN(C3CC3)C2)nc1 ZINC000573040744 823438271 /nfs/dbraw/zinc/43/82/71/823438271.db2.gz OEBUNSQDOHVOHF-VXKWHMMOSA-N 1 0 383.967 4.278 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)CCSc3ccccc3)c(C)c2)CC1 ZINC000025185438 819940635 /nfs/dbraw/zinc/94/06/35/819940635.db2.gz KUYCLEQURIUZQM-UHFFFAOYSA-N 1 0 383.561 4.258 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCSc2ccc(Cl)cc21)C(=O)NC(=O)NC1CCCCC1 ZINC000025215905 819944255 /nfs/dbraw/zinc/94/42/55/819944255.db2.gz QJLGUORGLKJWBI-BLLLJJGKSA-N 1 0 395.956 4.014 20 0 GIADRO COc1ccc([C@H]2CCC[N@@H+]2C[C@@H](O)COc2cccc3ccccc32)cc1 ZINC000025227422 819947068 /nfs/dbraw/zinc/94/70/68/819947068.db2.gz KOGKHMJYDKCUGG-NFBKMPQASA-N 1 0 377.484 4.425 20 0 GIADRO Cc1cc(C(=O)CCC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)c(C)s1 ZINC000025258474 819952064 /nfs/dbraw/zinc/95/20/64/819952064.db2.gz DUOXEPOKGYHMOS-UHFFFAOYSA-N 1 0 399.560 4.027 20 0 GIADRO CC(=O)Nc1ccc(C[NH2+]Cc2c(C)nn(Cc3ccccc3Cl)c2C)cc1 ZINC000025313063 819961146 /nfs/dbraw/zinc/96/11/46/819961146.db2.gz ZKDBLBHQICKTEA-UHFFFAOYSA-N 1 0 396.922 4.450 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1cccc(NC(=O)c2cccs2)c1)c1ccsc1 ZINC000025330698 819963716 /nfs/dbraw/zinc/96/37/16/819963716.db2.gz RIYAJWQJBMIYLU-KRWDZBQOSA-N 1 0 399.541 4.095 20 0 GIADRO C[C@H](Sc1ccc(Cl)cc1)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000025382471 819973714 /nfs/dbraw/zinc/97/37/14/819973714.db2.gz LYZASOHTXLJTHE-YJBOKZPZSA-N 1 0 376.953 4.110 20 0 GIADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)N(C2CC2)C2CCC(CC)CC2)[C@@H](C)C1 ZINC000410279529 823446374 /nfs/dbraw/zinc/44/63/74/823446374.db2.gz OUMOXRDDHZHBPY-OBMFMMATSA-N 1 0 393.616 4.266 20 0 GIADRO COCc1c(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)sc2cccc(F)c21 ZINC000025421283 819978102 /nfs/dbraw/zinc/97/81/02/819978102.db2.gz XHYXPYIXBMAFCQ-QGZVFWFLSA-N 1 0 386.492 4.220 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)CCCc1ccc(Br)s1)c1ccccc1 ZINC000025421642 819978608 /nfs/dbraw/zinc/97/86/08/819978608.db2.gz GDBZIMVBPUQARJ-INIZCTEOSA-N 1 0 395.366 4.252 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(F)cc1Cl ZINC000177351606 823442893 /nfs/dbraw/zinc/44/28/93/823442893.db2.gz AHGLNOUWETYSGD-QWHCGFSZSA-N 1 0 384.904 4.141 20 0 GIADRO CC(C)(CNC(=O)C1(c2cccc(Cl)c2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000025464932 819986663 /nfs/dbraw/zinc/98/66/63/819986663.db2.gz LAEZHZWVXNECGD-UHFFFAOYSA-N 1 0 382.935 4.325 20 0 GIADRO CCN(CCC[NH+]1CCCC1)C(=O)Nc1cccc(OCC(F)(F)F)c1C ZINC000189556171 823443376 /nfs/dbraw/zinc/44/33/76/823443376.db2.gz KWXISLRBWWPTIQ-UHFFFAOYSA-N 1 0 387.446 4.276 20 0 GIADRO COc1ccc(C(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)c(O)c1 ZINC000025521214 819995088 /nfs/dbraw/zinc/99/50/88/819995088.db2.gz PUPMKKDLEAMXSZ-UHFFFAOYSA-N 1 0 390.483 4.059 20 0 GIADRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)COc2cccc(F)c2)cc1 ZINC000025521375 819995131 /nfs/dbraw/zinc/99/51/31/819995131.db2.gz IHSDUJRZUJGEDG-UHFFFAOYSA-N 1 0 392.474 4.250 20 0 GIADRO Cc1cccc(OCCC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000025537158 819999573 /nfs/dbraw/zinc/99/95/73/819999573.db2.gz WHMZRCJVRRCXOK-UHFFFAOYSA-N 1 0 386.923 4.198 20 0 GIADRO C[N@H+](Cc1ccccc1NCc1cc(=O)n2ccccc2n1)C1CCCCC1 ZINC000025607248 820005820 /nfs/dbraw/zinc/00/58/20/820005820.db2.gz OKEYAAPDXUPBLD-UHFFFAOYSA-N 1 0 376.504 4.071 20 0 GIADRO CSc1nc(-c2ccco2)nc(C)c1C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000177361725 823444849 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0 GIADRO CN1CCC[C@H](C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)[C@H]1c1cccs1 ZINC000177371465 823447659 /nfs/dbraw/zinc/44/76/59/823447659.db2.gz POXLOFNZVMRORZ-APWZRJJASA-N 1 0 393.597 4.120 20 0 GIADRO CC(=O)c1ccc(NC(=O)CC[NH+]2CCC(CCc3ccc(O)cc3)CC2)cc1 ZINC000025937472 820042243 /nfs/dbraw/zinc/04/22/43/820042243.db2.gz XRDMNNUGWDOKQC-UHFFFAOYSA-N 1 0 394.515 4.268 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@H](c1ccco1)N1CCCC1)CC3 ZINC000123013564 823448179 /nfs/dbraw/zinc/44/81/79/823448179.db2.gz FCIKLCBNBLUVFL-KSFYIVLOSA-N 1 0 379.504 4.054 20 0 GIADRO Cc1ccc2cc(C[NH+]3CCC(C(=O)Nc4ccccc4O)CC3)ccc2n1 ZINC000189588860 823453261 /nfs/dbraw/zinc/45/32/61/823453261.db2.gz IQUGZVJVOOFTIX-UHFFFAOYSA-N 1 0 375.472 4.100 20 0 GIADRO CN(Cc1cccs1)C(=O)C[N@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000026100320 820057092 /nfs/dbraw/zinc/05/70/92/820057092.db2.gz LQTAZXZFYITZBV-QFIPXVFZSA-N 1 0 376.525 4.354 20 0 GIADRO COc1ccc(-c2noc(C[NH+]3CCC(CCc4ccc(O)cc4)CC3)n2)cc1 ZINC000026114460 820059954 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20 0 GIADRO COc1ccc2cc(C[N@H+](C)[C@H](C)C(=O)Nc3ccc4c(c3)OCO4)ccc2c1 ZINC000026301269 820079534 /nfs/dbraw/zinc/07/95/34/820079534.db2.gz JUFQQWNSKQOWSM-OAHLLOKOSA-N 1 0 392.455 4.036 20 0 GIADRO COc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]CCc2ccccn2)cc1 ZINC000026303779 820080484 /nfs/dbraw/zinc/08/04/84/820080484.db2.gz ZHTGCORXYNTINH-UHFFFAOYSA-N 1 0 398.510 4.334 20 0 GIADRO CN(C)C1(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)CCCCC1 ZINC000026308134 820080865 /nfs/dbraw/zinc/08/08/65/820080865.db2.gz AFXXJCULCJIFMQ-UHFFFAOYSA-N 1 0 389.547 4.288 20 0 GIADRO CC(C)(C)OC(=O)N1Cc2ccc(C[NH2+]Cc3c[nH]nc3C(C)(C)C)cc2C1 ZINC000189582861 823451583 /nfs/dbraw/zinc/45/15/83/823451583.db2.gz IRURNAYPYSTXHM-UHFFFAOYSA-N 1 0 384.524 4.248 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)C[N@H+]2CCC[C@H](CC(C)C)C2)c(C(F)(F)F)c1 ZINC000177389314 823451771 /nfs/dbraw/zinc/45/17/71/823451771.db2.gz UQRGGOGMNHMZRN-OAHLLOKOSA-N 1 0 399.457 4.360 20 0 GIADRO O[C@H]([C@H]1CC[N@@H+]([C@@H](c2ccc(Cl)cc2)C2CCOCC2)C1)C(F)(F)F ZINC000573134662 823452249 /nfs/dbraw/zinc/45/22/49/823452249.db2.gz PMMXPFOPUNANNJ-BHYGNILZSA-N 1 0 377.834 4.053 20 0 GIADRO Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123047055 823452904 /nfs/dbraw/zinc/45/29/04/823452904.db2.gz LXZBMSNKPFAZJW-ZYHUDNBSSA-N 1 0 385.455 4.178 20 0 GIADRO Fc1cccc(F)c1-c1n[nH]cc1C[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000573140405 823454304 /nfs/dbraw/zinc/45/43/04/823454304.db2.gz NBOBRPRABDHPJT-DBXWQHBBSA-N 1 0 395.453 4.359 20 0 GIADRO O=C(c1ccc(C(F)(F)F)cc1)N1CC[NH+](CCCCC2CCOCC2)CC1 ZINC000410309985 823459313 /nfs/dbraw/zinc/45/93/13/823459313.db2.gz FJVLIUHZAFTCMX-UHFFFAOYSA-N 1 0 398.469 4.060 20 0 GIADRO CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)[NH+]2CCC(C)(C3CC3)CC2)c1 ZINC000573142932 823454654 /nfs/dbraw/zinc/45/46/54/823454654.db2.gz SAPUXTQUVMVPAP-KRWDZBQOSA-N 1 0 385.552 4.008 20 0 GIADRO C[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(Oc3ccncc3)c2)[C@@H]1c1ccccc1 ZINC000189596009 823454756 /nfs/dbraw/zinc/45/47/56/823454756.db2.gz LLDSYKWCPLPNOS-YADHBBJMSA-N 1 0 388.471 4.441 20 0 GIADRO Cc1cc(O)c(C[NH+]2CCC(NC(=O)c3ccc(F)cc3)CC2)cc1C(C)C ZINC000026649289 820128164 /nfs/dbraw/zinc/12/81/64/820128164.db2.gz KLYKOJAHLARQOS-UHFFFAOYSA-N 1 0 384.495 4.358 20 0 GIADRO O=C(c1ccc2ccc(Cl)cc2n1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000177409273 823455205 /nfs/dbraw/zinc/45/52/05/823455205.db2.gz ORRPWGQBQNYMNZ-UHFFFAOYSA-N 1 0 379.891 4.236 20 0 GIADRO O[C@@]1(C[NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)CCC[C@@H](C(F)(F)F)C1 ZINC000189598084 823455285 /nfs/dbraw/zinc/45/52/85/823455285.db2.gz TUAFQRUICAUJIG-PBHICJAKSA-N 1 0 387.833 4.099 20 0 GIADRO O=C(NC1CC[NH+](C2CCCC2)CC1)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000177410260 823455563 /nfs/dbraw/zinc/45/55/63/823455563.db2.gz LUSIUDIWUYENBO-OALUTQOASA-N 1 0 380.454 4.332 20 0 GIADRO O=C(NC1CC[NH+](C2CCCC2)CC1)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000177410316 823455617 /nfs/dbraw/zinc/45/56/17/823455617.db2.gz LUSIUDIWUYENBO-RTBURBONSA-N 1 0 380.454 4.332 20 0 GIADRO CC(C)C(=O)Nc1ccc(Cl)c(C(=O)NC2CC[NH+](C3CCCC3)CC2)c1 ZINC000177411430 823455833 /nfs/dbraw/zinc/45/58/33/823455833.db2.gz HOTPFXILWADBNX-UHFFFAOYSA-N 1 0 391.943 4.071 20 0 GIADRO CCc1cccc(CC)c1NC(=O)[C@@H](C)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000026763067 820141060 /nfs/dbraw/zinc/14/10/60/820141060.db2.gz GRYJWMPUEUNZBR-HXUWFJFHSA-N 1 0 393.575 4.265 20 0 GIADRO O=C(NC1CC[NH+](C2CCCC2)CC1)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000177413253 823456190 /nfs/dbraw/zinc/45/61/90/823456190.db2.gz XREKAAYLJHYYDY-QZTJIDSGSA-N 1 0 380.454 4.332 20 0 GIADRO COC(=O)[C@H](C)[C@H]([NH2+]Cc1cccc(OCC(F)(F)F)c1)c1ccccc1 ZINC000177415338 823456769 /nfs/dbraw/zinc/45/67/69/823456769.db2.gz HGVRWOCTYMEKOV-KDOFPFPSSA-N 1 0 381.394 4.268 20 0 GIADRO CC(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000460615960 823456787 /nfs/dbraw/zinc/45/67/87/823456787.db2.gz BQDUVTJTXWGQPG-UHFFFAOYSA-N 1 0 399.558 4.119 20 0 GIADRO COC(=O)[C@@H](C)[C@@H]([NH2+]CC(=O)Nc1cccc(Cl)c1Cl)c1ccccc1 ZINC000177415861 823457123 /nfs/dbraw/zinc/45/71/23/823457123.db2.gz IAYQLHWXBPXGPF-KPZWWZAWSA-N 1 0 395.286 4.072 20 0 GIADRO Brc1ccc(-c2nc(CN3CC[C@H]([NH+]4CCCC4)C3)cs2)cc1 ZINC000177428540 823459801 /nfs/dbraw/zinc/45/98/01/823459801.db2.gz AFOWLTIPQDHSMF-KRWDZBQOSA-N 1 0 392.366 4.243 20 0 GIADRO CSc1ccc([C@@H](CNC(=O)CCCOc2ccccc2F)[NH+](C)C)cc1 ZINC000573161321 823457652 /nfs/dbraw/zinc/45/76/52/823457652.db2.gz QPJFUYOITRLCSM-LJQANCHMSA-N 1 0 390.524 4.126 20 0 GIADRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)Nc1ccccc1Br ZINC000058823500 823459619 /nfs/dbraw/zinc/45/96/19/823459619.db2.gz SZUYFMMPAXKMOZ-GOSISDBHSA-N 1 0 388.309 4.408 20 0 GIADRO C[C@H](NC(=O)NC1CC[NH+](C(C)(C)C)CC1)c1ccc(-c2cccnc2)cc1 ZINC000177420598 823458520 /nfs/dbraw/zinc/45/85/20/823458520.db2.gz YEVCVKRRRGMUPQ-KRWDZBQOSA-N 1 0 380.536 4.372 20 0 GIADRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)Nc1ccccc1C(F)(F)F ZINC000058828233 823460398 /nfs/dbraw/zinc/46/03/98/823460398.db2.gz DIRXYPLONLXVKY-UHFFFAOYSA-N 1 0 377.410 4.275 20 0 GIADRO O[C@@]1(C[NH2+]Cc2ccccc2OCc2ccccn2)CCC[C@@H](C(F)(F)F)C1 ZINC000189621838 823460798 /nfs/dbraw/zinc/46/07/98/823460798.db2.gz FOHPKBMHGGCIMR-XLIONFOSSA-N 1 0 394.437 4.234 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)CCc1cc(Br)ccc1F)c1cccs1 ZINC000123093265 823461146 /nfs/dbraw/zinc/46/11/46/823461146.db2.gz HHWRMVAPOQQKQK-HNNXBMFYSA-N 1 0 399.329 4.001 20 0 GIADRO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@H](O)c1ccccc1F ZINC000123092753 823461201 /nfs/dbraw/zinc/46/12/01/823461201.db2.gz CBGNJZAAHCNUQV-NRFANRHFSA-N 1 0 387.886 4.164 20 0 GIADRO Cc1cc(C(=O)C(C(=S)Nc2ccc(F)cc2)[n+]2ccc(C)cc2)c(C)n1C ZINC000027194441 820208572 /nfs/dbraw/zinc/20/85/72/820208572.db2.gz WAOXEKQGVCFNAR-UHFFFAOYSA-O 1 0 396.511 4.428 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)Nc1ccc(F)cc1Cl)[NH+]1CCCC1 ZINC000058847392 823461695 /nfs/dbraw/zinc/46/16/95/823461695.db2.gz XKLCYMOLLHMIOF-GOSISDBHSA-N 1 0 391.874 4.446 20 0 GIADRO CC(C)(C)c1nnc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)o1 ZINC000027225337 820211961 /nfs/dbraw/zinc/21/19/61/820211961.db2.gz UFUWRFAQSQVPOQ-UHFFFAOYSA-N 1 0 390.531 4.274 20 0 GIADRO CCC[NH+](CCC)CC(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 ZINC000027270303 820217710 /nfs/dbraw/zinc/21/77/10/820217710.db2.gz KSDCCHBZUAVHJY-GOSISDBHSA-N 1 0 381.520 4.238 20 0 GIADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000058853676 823462349 /nfs/dbraw/zinc/46/23/49/823462349.db2.gz METQEHDXZOKETR-HNNXBMFYSA-N 1 0 394.884 4.268 20 0 GIADRO CCCCNC(=S)C(C(=O)c1cc(C)n(C)c1C)[n+]1ccc2c(c1)CCCC2 ZINC000027325201 820224676 /nfs/dbraw/zinc/22/46/76/820224676.db2.gz PXVOKPGNECLJGD-UHFFFAOYSA-O 1 0 398.596 4.137 20 0 GIADRO COc1cccc([C@@H](CNC(=O)c2ccc(CSC)cc2)[NH+]2CCCC2)c1 ZINC000027340697 820227157 /nfs/dbraw/zinc/22/71/57/820227157.db2.gz CQMMAFHRDDSQKC-OAQYLSRUSA-N 1 0 384.545 4.125 20 0 GIADRO COc1cccc([C@@H](CNC(=O)CCc2ccccc2Cl)[NH+]2CCCC2)c1 ZINC000027342727 820227866 /nfs/dbraw/zinc/22/78/66/820227866.db2.gz XTGOLBPAOQBLIT-OAQYLSRUSA-N 1 0 386.923 4.235 20 0 GIADRO O[C@@]1(C[NH2+]Cc2csc(-c3ccsc3)n2)CCC[C@@H](C(F)(F)F)C1 ZINC000189630509 823462851 /nfs/dbraw/zinc/46/28/51/823462851.db2.gz MBKBICRITRMSIV-DOMZBBRYSA-N 1 0 376.469 4.445 20 0 GIADRO O=C(CCc1nc2ccccc2o1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000027344364 820228365 /nfs/dbraw/zinc/22/83/65/820228365.db2.gz WSVMPXPSVUFAFX-LJQANCHMSA-N 1 0 397.906 4.367 20 0 GIADRO CN(C)c1ccc(CCC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000027344823 820228477 /nfs/dbraw/zinc/22/84/77/820228477.db2.gz SYAPTMMXCZQQIC-JOCHJYFZSA-N 1 0 399.966 4.292 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)NC[C@H](O)c1ccccc1F)C1CCCCC1 ZINC000058859221 823463021 /nfs/dbraw/zinc/46/30/21/823463021.db2.gz GAKULGQWHOLJSV-QFIPXVFZSA-N 1 0 399.510 4.445 20 0 GIADRO O[C@]1(C[NH2+]Cc2ccc(-c3ccncc3)cc2F)CCC[C@@H](C(F)(F)F)C1 ZINC000189632753 823463161 /nfs/dbraw/zinc/46/31/61/823463161.db2.gz PRMBKXBFKVKMIO-IEBWSBKVSA-N 1 0 382.401 4.461 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH2+]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000189633423 823463169 /nfs/dbraw/zinc/46/31/69/823463169.db2.gz PAJGAOXDDUWTAI-AZUAARDMSA-N 1 0 394.437 4.330 20 0 GIADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2ccc(Br)s2)CC1 ZINC000027386801 820237117 /nfs/dbraw/zinc/23/71/17/820237117.db2.gz CIZMYQBXMYNZGJ-UHFFFAOYSA-N 1 0 393.350 4.167 20 0 GIADRO COc1ccccc1-c1nc(C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)cs1 ZINC000058861459 823463643 /nfs/dbraw/zinc/46/36/43/823463643.db2.gz PUCJVENVNWNVJV-UHFFFAOYSA-N 1 0 387.549 4.011 20 0 GIADRO CC(C)c1cccc(O[C@@H](C)C(=O)NC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000410326000 823463631 /nfs/dbraw/zinc/46/36/31/823463631.db2.gz BQLSVMYBWDCKMA-FQEVSTJZSA-N 1 0 394.559 4.401 20 0 GIADRO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@@H]1C[C@H](C(C)C)c2ccccc21 ZINC000573193307 823463784 /nfs/dbraw/zinc/46/37/84/823463784.db2.gz BDOLUUJRAGVUGN-MZYLBHOOSA-N 1 0 375.516 4.299 20 0 GIADRO O=C(NCc1cccc(O)c1)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000573204001 823465300 /nfs/dbraw/zinc/46/53/00/823465300.db2.gz ANQNWXAJQCBCJT-UHFFFAOYSA-N 1 0 385.533 4.292 20 0 GIADRO Cc1cc(C(=O)C(C(=S)N[C@@H]2CCCC[C@H]2C)[n+]2cccc(C)c2)c(C)n1C ZINC000027486658 820251790 /nfs/dbraw/zinc/25/17/90/820251790.db2.gz JGIHNTVZZIEOKV-OXQOHEQNSA-O 1 0 398.596 4.345 20 0 GIADRO CC1CC[NH+]([C@@H](CNC(=O)CCc2nc3ccccc3o2)c2cccs2)CC1 ZINC000027573864 820261082 /nfs/dbraw/zinc/26/10/82/820261082.db2.gz ZOKZLAGPQVKZDS-SFHVURJKSA-N 1 0 397.544 4.411 20 0 GIADRO O=C(CN1CC[NH+](CCc2ccccc2)CC1)Nc1ccccc1-c1ccccc1 ZINC000027575448 820262011 /nfs/dbraw/zinc/26/20/11/820262011.db2.gz BHMKQXVIHVLDLL-UHFFFAOYSA-N 1 0 399.538 4.152 20 0 GIADRO CC1CC[NH+]([C@H](CNC(=O)c2ccc(C(F)(F)F)nc2)c2cccs2)CC1 ZINC000027575547 820262171 /nfs/dbraw/zinc/26/21/71/820262171.db2.gz GMDBHSFAQKTYDR-OAHLLOKOSA-N 1 0 397.466 4.365 20 0 GIADRO C[C@H](NC(=O)C[N@H+](Cc1ccc2c(c1)OCO2)C1CCCC1)c1ccc(F)cc1 ZINC000027574381 820262186 /nfs/dbraw/zinc/26/21/86/820262186.db2.gz UGDVCZNLWDUYQP-INIZCTEOSA-N 1 0 398.478 4.176 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000027585175 820263921 /nfs/dbraw/zinc/26/39/21/820263921.db2.gz CYMZUZJIPOGFLV-LJQANCHMSA-N 1 0 397.519 4.160 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)CCc1ccc(-c2ccccc2F)o1)Cc1ccccc1 ZINC000027586452 820264016 /nfs/dbraw/zinc/26/40/16/820264016.db2.gz LDLBVIFOAAFQCC-IBGZPJMESA-N 1 0 394.490 4.307 20 0 GIADRO Cc1ccc(C(=O)CCC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)s1 ZINC000027605278 820266275 /nfs/dbraw/zinc/26/62/75/820266275.db2.gz KYBPMGWGCYDPKV-OAHLLOKOSA-N 1 0 376.547 4.034 20 0 GIADRO CC1CC[NH+](Cc2ccc(CNC(=O)N(C)CCc3ccccc3)cc2)CC1 ZINC000410332806 823465845 /nfs/dbraw/zinc/46/58/45/823465845.db2.gz JQEVLGAUPNRNCZ-UHFFFAOYSA-N 1 0 379.548 4.303 20 0 GIADRO Cc1noc2nc(C3CC3)cc(C(=O)NC[C@@H](c3cccs3)[NH+]3CCCC3)c12 ZINC000027607427 820266982 /nfs/dbraw/zinc/26/69/82/820266982.db2.gz KJWZSRSVBCTJGE-KRWDZBQOSA-N 1 0 396.516 4.037 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N(C)Cc3ccc(F)cc3)cc2)C1 ZINC000410354392 823471681 /nfs/dbraw/zinc/47/16/81/823471681.db2.gz WBVBNNRRRIAKNF-SFHVURJKSA-N 1 0 383.511 4.399 20 0 GIADRO O=C(c1ccccc1Br)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000058881902 823466074 /nfs/dbraw/zinc/46/60/74/823466074.db2.gz JNHKJYABFQNYFL-UHFFFAOYSA-N 1 0 379.342 4.177 20 0 GIADRO Cc1ccc(SCCNC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000410334401 823466128 /nfs/dbraw/zinc/46/61/28/823466128.db2.gz YAWLRDHRTOGDRH-UHFFFAOYSA-N 1 0 397.588 4.359 20 0 GIADRO COc1ccc([C@@H](CNC(=O)CCc2ccc(F)cc2)[NH+]2CCCCC2)cc1 ZINC000027668115 820272901 /nfs/dbraw/zinc/27/29/01/820272901.db2.gz FXRKOVVFPFXXTN-JOCHJYFZSA-N 1 0 384.495 4.110 20 0 GIADRO Cc1cccc(-c2nc(CC(=O)NC[C@H](c3cccs3)[NH+](C)C)cs2)c1 ZINC000027677325 820274287 /nfs/dbraw/zinc/27/42/87/820274287.db2.gz GWCUZDPLVJPTGZ-QGZVFWFLSA-N 1 0 385.558 4.142 20 0 GIADRO COC(=O)c1cccc(NC(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)c1 ZINC000410335331 823466470 /nfs/dbraw/zinc/46/64/70/823466470.db2.gz OZDITUOVXAATCY-UHFFFAOYSA-N 1 0 395.503 4.027 20 0 GIADRO CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@H](c1ccccc1)[C@H]1CCOC1 ZINC000460649220 823466659 /nfs/dbraw/zinc/46/66/59/823466659.db2.gz ASGLRTSSHUXQPE-FCHUYYIVSA-N 1 0 387.568 4.062 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)NCc1ccc(Cl)cc1 ZINC000058888183 823466767 /nfs/dbraw/zinc/46/67/67/823466767.db2.gz AYCKPMWACLPTOI-UHFFFAOYSA-N 1 0 375.900 4.382 20 0 GIADRO COc1ccc(Cl)cc1C[N@H+](C)CCC(=O)Nc1cc(Cl)ccc1OC ZINC000027738573 820281384 /nfs/dbraw/zinc/28/13/84/820281384.db2.gz QHKUSEBKCBYHPU-UHFFFAOYSA-N 1 0 397.302 4.471 20 0 GIADRO COc1ccc(Cl)cc1C[N@H+](C)C[C@@H](O)c1cccc(Br)c1 ZINC000027738831 820281494 /nfs/dbraw/zinc/28/14/94/820281494.db2.gz HPOWOKKUGQFSEL-MRXNPFEDSA-N 1 0 384.701 4.277 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCCOc2ccccc2F)cc1 ZINC000410339306 823467315 /nfs/dbraw/zinc/46/73/15/823467315.db2.gz XWCVHOWVTZIYNB-SFHVURJKSA-N 1 0 399.510 4.078 20 0 GIADRO Cc1cc2oc(=O)cc(C[NH+]3CCC(OC[C@@H]4CCCO4)CC3)c2cc1C(C)C ZINC000177460730 823467675 /nfs/dbraw/zinc/46/76/75/823467675.db2.gz OGMBEXZQVYABRU-FQEVSTJZSA-N 1 0 399.531 4.385 20 0 GIADRO O=C(COc1cccc2ccccc21)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000027926650 820297582 /nfs/dbraw/zinc/29/75/82/820297582.db2.gz YIPDDIPPDQGLBU-UHFFFAOYSA-N 1 0 388.511 4.042 20 0 GIADRO Cc1cc2occ(CC(=O)NC3CC[NH+](CCc4ccccc4)CC3)c2cc1C ZINC000027932049 820298151 /nfs/dbraw/zinc/29/81/51/820298151.db2.gz VKDCRSNZIAHAGV-UHFFFAOYSA-N 1 0 390.527 4.415 20 0 GIADRO COc1cc2ccccc2cc1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000027938795 820299311 /nfs/dbraw/zinc/29/93/11/820299311.db2.gz HWTGBINBLUGXOS-UHFFFAOYSA-N 1 0 388.511 4.285 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@H]2CCCN(CC(C)(C)C)C2=O)cc1Br ZINC000460654673 823468118 /nfs/dbraw/zinc/46/81/18/823468118.db2.gz IGWNLVKURFKDET-BBRMVZONSA-N 1 0 397.357 4.145 20 0 GIADRO Fc1cc(C[N@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)c2c(c1)COCO2 ZINC000027956833 820300551 /nfs/dbraw/zinc/30/05/51/820300551.db2.gz HNIVGEYDJGHNFP-UHFFFAOYSA-N 1 0 385.435 4.366 20 0 GIADRO O=C(CCCCc1ccc(Br)cc1)N1CCC([NH+]2CCCC2)CC1 ZINC000058907201 823469000 /nfs/dbraw/zinc/46/90/00/823469000.db2.gz OXLJHWWVTNPQPO-UHFFFAOYSA-N 1 0 393.369 4.249 20 0 GIADRO C[C@@H](NC(=O)N1Cc2ccccc2OC(C)(C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000460658954 823469153 /nfs/dbraw/zinc/46/91/53/823469153.db2.gz UFZAMSUWXOCWEG-MSOLQXFVSA-N 1 0 385.552 4.022 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)Cc1ccc(F)cc1Br)c1nnc2n1CCCCC2 ZINC000573240219 823469390 /nfs/dbraw/zinc/46/93/90/823469390.db2.gz NCXCMOOVYMWZMN-QWHCGFSZSA-N 1 0 395.320 4.188 20 0 GIADRO C[C@@H](Cc1ccc(F)cc1Br)[NH2+][C@@H](C)c1nnc2n1CCCCC2 ZINC000573240220 823469423 /nfs/dbraw/zinc/46/94/23/823469423.db2.gz NCXCMOOVYMWZMN-STQMWFEESA-N 1 0 395.320 4.188 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)Nc2ccccc2N(C)C)cc1 ZINC000410348112 823469797 /nfs/dbraw/zinc/46/97/97/823469797.db2.gz UUTZHDQCODUBTQ-GOSISDBHSA-N 1 0 380.536 4.449 20 0 GIADRO O=C(N[C@@H](C[NH+]1CCCCC1)c1ccccc1)c1ccc(Br)s1 ZINC000028317160 820324132 /nfs/dbraw/zinc/32/41/32/820324132.db2.gz WINWNGRGGPIJPZ-HNNXBMFYSA-N 1 0 393.350 4.468 20 0 GIADRO c1cn(Cc2cccc(-c3noc(-c4ccc(C[NH+]5CCCC5)cc4)n3)c2)cn1 ZINC000573245618 823469829 /nfs/dbraw/zinc/46/98/29/823469829.db2.gz MVKBNPRUYYGITO-UHFFFAOYSA-N 1 0 385.471 4.244 20 0 GIADRO Cc1ccc(NC(=O)[C@@H]([NH2+]CCN2CCc3ccccc3C2)c2ccccc2)cc1 ZINC000028340726 820326663 /nfs/dbraw/zinc/32/66/63/820326663.db2.gz RXYGVQISOKAZNO-VWLOTQADSA-N 1 0 399.538 4.323 20 0 GIADRO COc1ccc(CNC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)cc1F ZINC000410349423 823470039 /nfs/dbraw/zinc/47/00/39/823470039.db2.gz AGNNZJVVPLBUJO-KRWDZBQOSA-N 1 0 399.510 4.066 20 0 GIADRO Cc1noc(C)c1C[C@H](C)NC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000123148005 823470074 /nfs/dbraw/zinc/47/00/74/823470074.db2.gz HNXLFWHDJRLJPG-IRXDYDNUSA-N 1 0 398.551 4.096 20 0 GIADRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)N[C@H]1CCSc2ccc(F)cc21 ZINC000028354269 820328723 /nfs/dbraw/zinc/32/87/23/820328723.db2.gz ABVMXDNUPZVMKE-FQEVSTJZSA-N 1 0 399.535 4.110 20 0 GIADRO O=C(Nc1ccc(F)cc1)[C@@H]([NH2+]CCOc1ccc(F)cc1)c1ccccc1 ZINC000028388800 820331796 /nfs/dbraw/zinc/33/17/96/820331796.db2.gz QFUCUOYMMXRMFJ-NRFANRHFSA-N 1 0 382.410 4.313 20 0 GIADRO O=C(CCCOc1ccc(Cl)cc1Cl)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000058919709 823470423 /nfs/dbraw/zinc/47/04/23/823470423.db2.gz PSPJQYJZOJRMAY-INIZCTEOSA-N 1 0 385.335 4.239 20 0 GIADRO CCCCCCOc1ccc(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1OC ZINC000058920168 823470730 /nfs/dbraw/zinc/47/07/30/823470730.db2.gz ZIDOCEQQWQJUBI-FQEVSTJZSA-N 1 0 388.552 4.355 20 0 GIADRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)N(C)C3CCCCCC3)cc2)C[C@H](C)O1 ZINC000410352138 823471084 /nfs/dbraw/zinc/47/10/84/823471084.db2.gz IENDOMQIDLVMLI-OALUTQOASA-N 1 0 387.568 4.160 20 0 GIADRO Cc1cccc2oc(CC[NH2+][C@H](C)c3ncc(Br)cc3F)nc21 ZINC000410355920 823472175 /nfs/dbraw/zinc/47/21/75/823472175.db2.gz ALQUJMKXQRMAKU-LLVKDONJSA-N 1 0 378.245 4.326 20 0 GIADRO COc1ccc(NC(=O)[C@H]([NH2+]CCc2ccccc2OC)c2ccccc2)cc1 ZINC000028622478 820345702 /nfs/dbraw/zinc/34/57/02/820345702.db2.gz UUDPUGPJJKECDG-HSZRJFAPSA-N 1 0 390.483 4.216 20 0 GIADRO COc1ccc(NC(=O)[C@@H]([NH2+]CCc2cccc(F)c2)c2ccccc2)cc1 ZINC000028623037 820345807 /nfs/dbraw/zinc/34/58/07/820345807.db2.gz YCYOLLNYIBUBHB-QFIPXVFZSA-N 1 0 378.447 4.346 20 0 GIADRO CCc1nc2c(s1)[C@@H](N(C)C(=O)NC[C@@H](c1cccs1)[NH+](C)C)CCC2 ZINC000123163358 823472306 /nfs/dbraw/zinc/47/23/06/823472306.db2.gz MFHNSHWKRZHCMH-GJZGRUSLSA-N 1 0 392.594 4.089 20 0 GIADRO C[C@@H]1CN(C(=O)NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c2ccccc21 ZINC000410356735 823472518 /nfs/dbraw/zinc/47/25/18/823472518.db2.gz XZOHOVNGOHVOAU-QRVBRYPASA-N 1 0 393.531 4.129 20 0 GIADRO CCCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCC([NH+]3CCCCC3)CC2)c1C ZINC000058935789 823472637 /nfs/dbraw/zinc/47/26/37/823472637.db2.gz VKHYNAVSZUQGHE-XLNRJJMWSA-N 1 0 396.579 4.289 20 0 GIADRO Cc1cc(CSc2ccccc2C(=O)N2CCC([NH+]3CCCCC3)CC2)on1 ZINC000058936166 823472708 /nfs/dbraw/zinc/47/27/08/823472708.db2.gz WGQRPHNCRLBBFW-UHFFFAOYSA-N 1 0 399.560 4.366 20 0 GIADRO O=C([C@@H]1C[C@H]1c1ccccc1C(F)(F)F)N1CCC([NH+]2CCCCC2)CC1 ZINC000058936165 823472782 /nfs/dbraw/zinc/47/27/82/823472782.db2.gz HZNOUMBUISUSOE-ZWKOTPCHSA-N 1 0 380.454 4.286 20 0 GIADRO CCn1c2ccccc2n(CN2CC[NH+](CCc3ccccc3)CC2)c1=S ZINC000028812476 820360003 /nfs/dbraw/zinc/36/00/03/820360003.db2.gz GUYKWENXROZONT-UHFFFAOYSA-N 1 0 380.561 4.010 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N(C)Cc2ccc(F)cc2)C1 ZINC000410358833 823473477 /nfs/dbraw/zinc/47/34/77/823473477.db2.gz KIXPQZUVGLWYCM-GOSISDBHSA-N 1 0 383.511 4.399 20 0 GIADRO O=C(Cc1ccc(-n2cccc2)cc1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000028834538 820361806 /nfs/dbraw/zinc/36/18/06/820361806.db2.gz MQGZKEBOPSXEIR-FQEVSTJZSA-N 1 0 379.529 4.035 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1cnc2c(F)cccc2c1 ZINC000573271449 823473723 /nfs/dbraw/zinc/47/37/23/823473723.db2.gz LPFQIMLZDXRIMZ-QGZVFWFLSA-N 1 0 377.463 4.111 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)CC[N@H+](C)CCOc1ccc(Cl)cc1 ZINC000028895564 820368695 /nfs/dbraw/zinc/36/86/95/820368695.db2.gz UURITDAZIKGGBA-UHFFFAOYSA-N 1 0 397.302 4.341 20 0 GIADRO CSc1ccccc1NC(=O)CC[N@H+](C)CCOc1cccc(Cl)c1 ZINC000028901483 820369661 /nfs/dbraw/zinc/36/96/61/820369661.db2.gz ONAUEOAPNRKEMT-UHFFFAOYSA-N 1 0 378.925 4.401 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)c1 ZINC000028917893 820372437 /nfs/dbraw/zinc/37/24/37/820372437.db2.gz DZAOGIGMVIVENF-YVEFUNNKSA-N 1 0 397.302 4.042 20 0 GIADRO CC(C)c1ccccc1OC[C@@H](O)C[NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000028919387 820372872 /nfs/dbraw/zinc/37/28/72/820372872.db2.gz IHWNRORLDZDUEP-UWJYYQICSA-N 1 0 396.531 4.249 20 0 GIADRO Cc1ccc(C)c(OC[C@@H](O)C[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)c1C ZINC000028919432 820373366 /nfs/dbraw/zinc/37/33/66/820373366.db2.gz OGMLFHUPPOKGGR-AVRDEDQJSA-N 1 0 396.531 4.051 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)CCc3nc4ccccc4[nH]3)cc2)C1 ZINC000058948647 823474250 /nfs/dbraw/zinc/47/42/50/823474250.db2.gz SKBWBJROBHJGGR-GOSISDBHSA-N 1 0 390.531 4.044 20 0 GIADRO COc1cc(NC(=O)C[NH2+][C@@H](C)c2ccc(Cl)cc2)c(OC)cc1Cl ZINC000028966312 820378075 /nfs/dbraw/zinc/37/80/75/820378075.db2.gz OKHWYXQMABZWIE-NSHDSACASA-N 1 0 383.275 4.300 20 0 GIADRO C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[NH+]1CCC(OCC2CCCC2)CC1 ZINC000177490929 823474709 /nfs/dbraw/zinc/47/47/09/823474709.db2.gz ZVBXQESNLVPOSV-XLIONFOSSA-N 1 0 390.593 4.471 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCC[C@@H]2c2cccnc2)C1 ZINC000410362608 823474799 /nfs/dbraw/zinc/47/47/99/823474799.db2.gz HHIAVZYXHLHWLA-WMZHIEFXSA-N 1 0 392.547 4.360 20 0 GIADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)C1 ZINC000123179216 823474899 /nfs/dbraw/zinc/47/48/99/823474899.db2.gz MCWXJPCKSPKUKJ-VQTJNVASSA-N 1 0 392.543 4.115 20 0 GIADRO COc1ccc(CCC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)cc1F ZINC000058952452 823474922 /nfs/dbraw/zinc/47/49/22/823474922.db2.gz CEEVSHPSJMBAME-SFHVURJKSA-N 1 0 398.522 4.315 20 0 GIADRO Cc1ccc(NC(=O)NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)cc1C ZINC000410363514 823475250 /nfs/dbraw/zinc/47/52/50/823475250.db2.gz GFDVTDBPKPTWQK-RTBURBONSA-N 1 0 381.520 4.234 20 0 GIADRO COc1cccc(CNC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)c1 ZINC000410369889 823477699 /nfs/dbraw/zinc/47/76/99/823477699.db2.gz CGERIWXOWLKYFQ-SFHVURJKSA-N 1 0 381.520 4.069 20 0 GIADRO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[NH+]1CCC(OCC2CCCC2)CC1 ZINC000177493431 823475721 /nfs/dbraw/zinc/47/57/21/823475721.db2.gz ABDFSULWEOGCOL-MRXNPFEDSA-N 1 0 394.506 4.155 20 0 GIADRO O=C(CCc1nc2ccccc2s1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000029177552 820406130 /nfs/dbraw/zinc/40/61/30/820406130.db2.gz MSOVORMPNGMIFB-IBGZPJMESA-N 1 0 379.529 4.182 20 0 GIADRO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(Br)s1 ZINC000029177680 820406259 /nfs/dbraw/zinc/40/62/59/820406259.db2.gz YSBXCXSLAAQPNJ-CQSZACIVSA-N 1 0 379.323 4.078 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Cc1nc(-c2cccs2)oc1C)c1ccccc1 ZINC000029192735 820409357 /nfs/dbraw/zinc/40/93/57/820409357.db2.gz HCDOWEQEUGTTNL-LJQANCHMSA-N 1 0 397.544 4.453 20 0 GIADRO Clc1ccc2c(ccn2CC[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)c1 ZINC000573290712 823476697 /nfs/dbraw/zinc/47/66/97/823476697.db2.gz KQNSZYCSLPCZCL-KRWDZBQOSA-N 1 0 379.895 4.217 20 0 GIADRO CCCOc1c(Cl)cc(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)cc1OC ZINC000058966217 823476811 /nfs/dbraw/zinc/47/68/11/823476811.db2.gz OLVKXCYFENGGCX-MRXNPFEDSA-N 1 0 396.959 4.379 20 0 GIADRO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@H](O)c1ccsc1 ZINC000123158578 823471764 /nfs/dbraw/zinc/47/17/64/823471764.db2.gz ACIVINPYXPUQFR-IBGZPJMESA-N 1 0 375.925 4.086 20 0 GIADRO Cc1ccc(NC(=O)C2CC[NH+](CCCCCOc3ccccc3)CC2)nc1 ZINC000189698024 823478325 /nfs/dbraw/zinc/47/83/25/823478325.db2.gz WNGYCAWOHGNBSN-UHFFFAOYSA-N 1 0 381.520 4.290 20 0 GIADRO COc1ccc(C)cc1CC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000029358363 820443339 /nfs/dbraw/zinc/44/33/39/820443339.db2.gz ZXUGUPFSABVYJK-UHFFFAOYSA-N 1 0 380.532 4.094 20 0 GIADRO O=C(Cc1ccc(Cl)c(Cl)c1)NCC1([NH+]2CCSCC2)CCCC1 ZINC000029371704 820445020 /nfs/dbraw/zinc/44/50/20/820445020.db2.gz PWLVZZWEBFGJMT-UHFFFAOYSA-N 1 0 387.376 4.014 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N(C)CCOc2ccccc2)C1 ZINC000410374367 823479679 /nfs/dbraw/zinc/47/96/79/823479679.db2.gz NDNOFCWVRLEIEY-FQEVSTJZSA-N 1 0 395.547 4.139 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)CCCOc3cccc(C)c3)c(C)c2)CC1 ZINC000029375205 820445816 /nfs/dbraw/zinc/44/58/16/820445816.db2.gz BMZGRRUCARUVPX-UHFFFAOYSA-N 1 0 395.547 4.243 20 0 GIADRO Cc1cccc(Oc2ccc(NC(=O)N3CCC([N@H+](C)CCCO)CC3)cc2)c1 ZINC000177511152 823479681 /nfs/dbraw/zinc/47/96/81/823479681.db2.gz RGXDZQJZEITETC-UHFFFAOYSA-N 1 0 397.519 4.098 20 0 GIADRO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccc(-n2ccnc2)cc1 ZINC000029402730 820450905 /nfs/dbraw/zinc/45/09/05/820450905.db2.gz ZFAMRVSWZXFQJT-OAQYLSRUSA-N 1 0 394.906 4.093 20 0 GIADRO COC(=O)c1cccc(NC(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000410374813 823479993 /nfs/dbraw/zinc/47/99/93/823479993.db2.gz NTYXYCRVRASPFJ-QGZVFWFLSA-N 1 0 395.503 4.027 20 0 GIADRO Cc1ccc(-c2nc(C(=O)N(CC[NH+](C)C)Cc3ccccc3F)cs2)cc1 ZINC000058991222 823480326 /nfs/dbraw/zinc/48/03/26/823480326.db2.gz ALVFAABRQHZSEQ-UHFFFAOYSA-N 1 0 397.519 4.462 20 0 GIADRO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc3nc(C4CC4)oc3c2)[C@@H]1c1ccccc1 ZINC000189714902 823480680 /nfs/dbraw/zinc/48/06/80/823480680.db2.gz RXZWHZDUOVSUGX-QUCCMNQESA-N 1 0 376.460 4.272 20 0 GIADRO CC(C)C[NH+]1CCC(NC(=O)NCc2ccc(OCc3ccccc3)cc2)CC1 ZINC000410376341 823480718 /nfs/dbraw/zinc/48/07/18/823480718.db2.gz SUKFPZYZADXJTO-UHFFFAOYSA-N 1 0 395.547 4.185 20 0 GIADRO Cc1c(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cnn1-c1cccc(C)c1 ZINC000029510350 820466262 /nfs/dbraw/zinc/46/62/62/820466262.db2.gz OTZDLMLBLJHMHM-HSZRJFAPSA-N 1 0 388.515 4.056 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)CCSc1ccccc1F ZINC000059001584 823481252 /nfs/dbraw/zinc/48/12/52/823481252.db2.gz CEEGFBHLOBDFQF-UHFFFAOYSA-N 1 0 378.488 4.037 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1ccc(SC(F)F)cc1 ZINC000059001500 823481349 /nfs/dbraw/zinc/48/13/49/823481349.db2.gz IADMAWBCBIWIFX-UHFFFAOYSA-N 1 0 382.451 4.344 20 0 GIADRO Cc1oc(-c2cccs2)nc1C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000059000815 823481417 /nfs/dbraw/zinc/48/14/17/823481417.db2.gz WGCXRTFCNIALOH-UHFFFAOYSA-N 1 0 387.480 4.055 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000059002990 823481646 /nfs/dbraw/zinc/48/16/46/823481646.db2.gz PBKBXXSKOXTBFV-UHFFFAOYSA-N 1 0 383.294 4.265 20 0 GIADRO C[C@](O)(C[NH+]1CCC(OCc2ccc(Cl)c(Cl)c2)CC1)C(F)(F)F ZINC000410408837 823489359 /nfs/dbraw/zinc/48/93/59/823489359.db2.gz BKLFALHEJVQWKZ-HNNXBMFYSA-N 1 0 386.241 4.288 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[NH2+]CC2(c3ccccc3)CCCC2)c1 ZINC000029711123 820503167 /nfs/dbraw/zinc/50/31/67/820503167.db2.gz KEGPXAIMSMXAKL-QGZVFWFLSA-N 1 0 379.504 4.074 20 0 GIADRO O=C(Nc1ccccc1)[C@H]1CCC[N@@H+](Cc2cc(-c3ccc(F)cc3)no2)C1 ZINC000029711051 820503353 /nfs/dbraw/zinc/50/33/53/820503353.db2.gz GIYFQLKBLGTCQS-KRWDZBQOSA-N 1 0 379.435 4.331 20 0 GIADRO O=C(COc1ccc(Cl)c(Cl)c1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000029754987 820511242 /nfs/dbraw/zinc/51/12/42/820511242.db2.gz HJLHMZVDNUTDNZ-INIZCTEOSA-N 1 0 399.343 4.387 20 0 GIADRO Fc1ccc(Cn2cc(C[NH+]3CCC(c4c[nH]c5ncccc45)CC3)cn2)cc1 ZINC000189739667 823485288 /nfs/dbraw/zinc/48/52/88/823485288.db2.gz JQWBVBUTGCUZMI-UHFFFAOYSA-N 1 0 389.478 4.326 20 0 GIADRO CC1(C)CC(NC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)CC(C)(C)[NH2+]1 ZINC000029787715 820519045 /nfs/dbraw/zinc/51/90/45/820519045.db2.gz NXOJRQPITXITEY-UHFFFAOYSA-N 1 0 394.519 4.370 20 0 GIADRO CC(C)c1ccc(C[NH2+]Cc2cccc(N3C(=O)NC4(CCCC4)C3=O)c2)cc1 ZINC000573371328 823485827 /nfs/dbraw/zinc/48/58/27/823485827.db2.gz VDJFMVVKFMGVRM-UHFFFAOYSA-N 1 0 391.515 4.469 20 0 GIADRO CC[NH+]1CCN(Cc2ccc(NC(=O)[C@@H](C)c3cccc(Cl)c3)cc2)CC1 ZINC000460707901 823489561 /nfs/dbraw/zinc/48/95/61/823489561.db2.gz HAQGRMXVZVTZOR-KRWDZBQOSA-N 1 0 385.939 4.220 20 0 GIADRO O=C(C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000029826580 820526061 /nfs/dbraw/zinc/52/60/61/820526061.db2.gz GBPPEZXWZOTELZ-BJLQDIEVSA-N 1 0 381.520 4.188 20 0 GIADRO CCOc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 ZINC000029827463 820526740 /nfs/dbraw/zinc/52/67/40/820526740.db2.gz PWUHONDYRDCIAM-IAGOWNOFSA-N 1 0 393.487 4.433 20 0 GIADRO Cc1ccccc1CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029830808 820528184 /nfs/dbraw/zinc/52/81/84/820528184.db2.gz ILKYEOPEWDCAPN-AZUAARDMSA-N 1 0 391.515 4.063 20 0 GIADRO CC[C@@H](NC(=O)NCc1cccc(OCC[NH+](C)C)c1)c1ccc(Cl)cc1 ZINC000410410702 823489685 /nfs/dbraw/zinc/48/96/85/823489685.db2.gz XMTCSRVBPWFXCP-HXUWFJFHSA-N 1 0 389.927 4.231 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(N2CCOCC2)c1)c1ccc(F)cc1OC(F)F ZINC000573390948 823486958 /nfs/dbraw/zinc/48/69/58/823486958.db2.gz MJFSPLCRCIPZKH-AWEZNQCLSA-N 1 0 380.410 4.115 20 0 GIADRO CC[C@H](CNC(=O)c1oc2ccccc2c1COC)[N@@H+]1CCc2ccccc2C1 ZINC000029908396 820546212 /nfs/dbraw/zinc/54/62/12/820546212.db2.gz VUQQJZATVMVUQO-LJQANCHMSA-N 1 0 392.499 4.146 20 0 GIADRO CC[C@@H](CNC(=O)CCC(=O)c1cc(C)sc1C)[N@@H+]1CCc2ccccc2C1 ZINC000029911255 820546641 /nfs/dbraw/zinc/54/66/41/820546641.db2.gz RVMPOBPSEIYMEO-FQEVSTJZSA-N 1 0 398.572 4.281 20 0 GIADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2cc(NC(=O)CC(C)(C)C)ccc2Cl)C1 ZINC000177547528 823487839 /nfs/dbraw/zinc/48/78/39/823487839.db2.gz DQUOQJJPJCVUQV-ZBFHGGJFSA-N 1 0 393.959 4.317 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(OCC(F)(F)F)c2C)C1 ZINC000177546899 823487849 /nfs/dbraw/zinc/48/78/49/823487849.db2.gz UNJKBVAPCWZPBI-HNNXBMFYSA-N 1 0 387.446 4.132 20 0 GIADRO COc1ccc(O[C@@H](C)C(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000059265723 823488056 /nfs/dbraw/zinc/48/80/56/823488056.db2.gz UEHLQEVAVYDXNX-SFHVURJKSA-N 1 0 382.504 4.333 20 0 GIADRO O=C(NCc1cccc(OCc2ccccc2)c1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000410403386 823488099 /nfs/dbraw/zinc/48/80/99/823488099.db2.gz CHVKWCBILUDCAS-QFIPXVFZSA-N 1 0 393.531 4.035 20 0 GIADRO COc1ccc(O[C@H](C)C(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000059265720 823488173 /nfs/dbraw/zinc/48/81/73/823488173.db2.gz UEHLQEVAVYDXNX-GOSISDBHSA-N 1 0 382.504 4.333 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(Br)ccc2OCC)C1 ZINC000177547624 823488194 /nfs/dbraw/zinc/48/81/94/823488194.db2.gz QHSKLEQRXIMZJG-AWEZNQCLSA-N 1 0 398.345 4.043 20 0 GIADRO C[N@H+](CCCC(c1ccc(F)cc1)c1ccc(F)cc1)CC1(O)CCOCC1 ZINC000189753503 823488214 /nfs/dbraw/zinc/48/82/14/823488214.db2.gz YCGWEPJYRSCRBA-UHFFFAOYSA-N 1 0 389.486 4.350 20 0 GIADRO C[NH+](C)Cc1ccc(NC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)cc1 ZINC000029952457 820555953 /nfs/dbraw/zinc/55/59/53/820555953.db2.gz XXWXTPNGCKATTL-UHFFFAOYSA-N 1 0 383.492 4.025 20 0 GIADRO Cc1cc(O[C@@H](C)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)ccc1C(C)C ZINC000059274487 823489011 /nfs/dbraw/zinc/48/90/11/823489011.db2.gz MSMVFLCWRPLPIK-IBGZPJMESA-N 1 0 395.547 4.276 20 0 GIADRO Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000059274472 823489053 /nfs/dbraw/zinc/48/90/53/823489053.db2.gz ZXOMRZDONPKFCV-IBGZPJMESA-N 1 0 395.547 4.276 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1cc(-c2ccccc2F)on1 ZINC000030033544 820572515 /nfs/dbraw/zinc/57/25/15/820572515.db2.gz IPXUQUHOWJECHN-UHFFFAOYSA-N 1 0 393.462 4.397 20 0 GIADRO C[C@@H](CC(=O)Nc1ccccc1)[NH2+][C@@H](C)[C@H](OC1CCOCC1)c1ccccc1 ZINC000123306184 823493734 /nfs/dbraw/zinc/49/37/34/823493734.db2.gz RBXLKVYSMOIVJF-JXQFQVJHSA-N 1 0 396.531 4.319 20 0 GIADRO Cc1ccccc1C[N@H+]1CCCN(CC(=O)Nc2ccccc2C(C)C)CC1 ZINC000030153724 820580814 /nfs/dbraw/zinc/58/08/14/820580814.db2.gz SPPCSZGVTNSSHY-UHFFFAOYSA-N 1 0 379.548 4.265 20 0 GIADRO C[C@H](CNC(=O)C1(c2cccc(C(F)(F)F)c2)CCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000460724224 823495331 /nfs/dbraw/zinc/49/53/31/823495331.db2.gz ZHQNZGADPPIHLV-HZPDHXFCSA-N 1 0 382.470 4.364 20 0 GIADRO Cc1cc(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)ccc1NC(=O)CC(C)C ZINC000460720438 823494168 /nfs/dbraw/zinc/49/41/68/823494168.db2.gz CGBXBFANDNEIBR-NRFANRHFSA-N 1 0 387.568 4.220 20 0 GIADRO C[C@@H](CNC(=O)C1(c2cccc(C(F)(F)F)c2)CCC1)[N@@H+]1CCC[C@H](C)C1 ZINC000460724223 823495381 /nfs/dbraw/zinc/49/53/81/823495381.db2.gz ZHQNZGADPPIHLV-HOTGVXAUSA-N 1 0 382.470 4.364 20 0 GIADRO Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccc(Br)cc1 ZINC000059384296 823494384 /nfs/dbraw/zinc/49/43/84/823494384.db2.gz FLMLJSDENQGHLH-RTBURBONSA-N 1 0 390.321 4.334 20 0 GIADRO COc1ccccc1C[N@H+](C[C@H](O)COc1cccc2ccccc21)C1CC1 ZINC000059376016 823494421 /nfs/dbraw/zinc/49/44/21/823494421.db2.gz YMOYREQMQAUVDL-NRFANRHFSA-N 1 0 377.484 4.253 20 0 GIADRO C[C@@H](C(=O)Nc1ccccc1OC(F)F)[N@H+](C)CCCOc1ccc(F)cc1 ZINC000030268469 820592385 /nfs/dbraw/zinc/59/23/85/820592385.db2.gz HXHJAILCZWBECT-AWEZNQCLSA-N 1 0 396.409 4.155 20 0 GIADRO CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000189788609 823494702 /nfs/dbraw/zinc/49/47/02/823494702.db2.gz HBXOLXPBLYSYIG-INIZCTEOSA-N 1 0 393.400 4.086 20 0 GIADRO C[C@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)c1cccc(-n2ccnc2)c1 ZINC000177557634 823490469 /nfs/dbraw/zinc/49/04/69/823490469.db2.gz ZFAODRAXWJRTLB-SFHVURJKSA-N 1 0 395.551 4.030 20 0 GIADRO COc1cccc([C@@H]2[C@H](NC(=O)Nc3c(C)cccc3F)CC[N@@H+]2C2CC2)c1 ZINC000189765465 823490531 /nfs/dbraw/zinc/49/05/31/823490531.db2.gz YLZMBIJZXVJOLB-TZIWHRDSSA-N 1 0 383.467 4.242 20 0 GIADRO COc1cc(C[NH2+]CCCc2c[nH]c3ccccc23)cc(Br)c1O ZINC000177558168 823490602 /nfs/dbraw/zinc/49/06/02/823490602.db2.gz XULCHYIQKLRDFQ-UHFFFAOYSA-N 1 0 389.293 4.367 20 0 GIADRO C[C@@H]([NH2+]C[C@H](c1ccccc1)C(C)(C)CO)c1ccc(Br)cn1 ZINC000573418824 823491249 /nfs/dbraw/zinc/49/12/49/823491249.db2.gz RVPPFKGVHZESEO-RHSMWYFYSA-N 1 0 377.326 4.297 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2c(F)cccc2F)ccc1OC(C)C ZINC000030492706 820623211 /nfs/dbraw/zinc/62/32/11/820623211.db2.gz BHSGHWJDTNYUMO-KGLIPLIRSA-N 1 0 392.446 4.438 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(Cl)cn2)ccc1OC(C)C ZINC000030492574 820623267 /nfs/dbraw/zinc/62/32/67/820623267.db2.gz IMULYWXSDCVXKX-KGLIPLIRSA-N 1 0 391.899 4.209 20 0 GIADRO C[C@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)c1cccc(-n2cccn2)c1 ZINC000177562129 823491825 /nfs/dbraw/zinc/49/18/25/823491825.db2.gz DLEIQKFIKQISRP-SFHVURJKSA-N 1 0 395.551 4.030 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc(F)c2)cc1Br ZINC000030510101 820627175 /nfs/dbraw/zinc/62/71/75/820627175.db2.gz RGXGMYMNXSRXCN-NEPJUHHUSA-N 1 0 395.272 4.275 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(COCc2ccco2)c1)C(=O)Nc1ccc(Cl)cn1 ZINC000030511291 820628856 /nfs/dbraw/zinc/62/88/56/820628856.db2.gz LXJWJMKFXWUKIV-OAHLLOKOSA-N 1 0 399.878 4.162 20 0 GIADRO CCOc1ccc([C@@H]([NH2+]C[C@@H](O)COc2ccc(F)cc2)c2ccccc2)cc1 ZINC000030537172 820635633 /nfs/dbraw/zinc/63/56/33/820635633.db2.gz TXEVXYBKDFIGJY-QPPBQGQZSA-N 1 0 395.474 4.343 20 0 GIADRO CCOc1ccc([C@H]([NH2+]C[C@@H](O)COc2ccc(F)cc2)c2ccccc2)cc1 ZINC000030537175 820635666 /nfs/dbraw/zinc/63/56/66/820635666.db2.gz TXEVXYBKDFIGJY-ZJSXRUAMSA-N 1 0 395.474 4.343 20 0 GIADRO CSc1ccc([C@H](CNC(=O)Cc2csc(C(C)(C)C)n2)[NH+](C)C)cc1 ZINC000573433316 823492531 /nfs/dbraw/zinc/49/25/31/823492531.db2.gz ROCOBXCHVZNAMD-KRWDZBQOSA-N 1 0 391.606 4.124 20 0 GIADRO COc1ccccc1CC[NH2+]Cc1ccc(OCc2ccncc2)c(OC)c1 ZINC000030544675 820637365 /nfs/dbraw/zinc/63/73/65/820637365.db2.gz FJAJZXOLUXZFJO-UHFFFAOYSA-N 1 0 378.472 4.010 20 0 GIADRO COc1cc(C(=O)NCc2ccccc2C[NH+]2CCCC2)ccc1OCC(C)C ZINC000030556071 820639767 /nfs/dbraw/zinc/63/97/67/820639767.db2.gz LCRBSCQLMDCXBQ-UHFFFAOYSA-N 1 0 396.531 4.256 20 0 GIADRO COc1ccc(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc1OC(C)C ZINC000189779920 823492898 /nfs/dbraw/zinc/49/28/98/823492898.db2.gz BAVXHGXNRDRNMY-GHTZIAJQSA-N 1 0 383.492 4.049 20 0 GIADRO Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000030631401 820654285 /nfs/dbraw/zinc/65/42/85/820654285.db2.gz HXDUTRDDHPFVBH-LJQANCHMSA-N 1 0 381.907 4.295 20 0 GIADRO C[NH+](C)Cc1ccc(NC(=O)Cn2c(Cc3ccccc3)nc3ccccc32)cc1 ZINC000030646855 820657731 /nfs/dbraw/zinc/65/77/31/820657731.db2.gz QEJHBITWMMKUCG-UHFFFAOYSA-N 1 0 398.510 4.327 20 0 GIADRO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]Cc1ccccc1Cn1ccnc1 ZINC000030652080 820658406 /nfs/dbraw/zinc/65/84/06/820658406.db2.gz JNGRCBWIPYUMKJ-UHFFFAOYSA-N 1 0 389.478 4.163 20 0 GIADRO CCOc1c(Cl)cc(C[NH2+]Cc2ccccc2Cn2ccnc2)cc1OC ZINC000030651903 820658507 /nfs/dbraw/zinc/65/85/07/820658507.db2.gz VRRAFHJYGGEURZ-UHFFFAOYSA-N 1 0 385.895 4.282 20 0 GIADRO CC[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000123321662 823495867 /nfs/dbraw/zinc/49/58/67/823495867.db2.gz GQRVGDVLUYMONX-YADHBBJMSA-N 1 0 379.504 4.242 20 0 GIADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)CCc3ccccc3O)cc2)C1 ZINC000059410627 823495873 /nfs/dbraw/zinc/49/58/73/823495873.db2.gz QJMAVQQIUKEPNJ-RTBURBONSA-N 1 0 380.532 4.119 20 0 GIADRO Cc1ccc(Br)cc1C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000460726554 823496133 /nfs/dbraw/zinc/49/61/33/823496133.db2.gz CMTFESUDIVNLCI-GASCZTMLSA-N 1 0 381.358 4.245 20 0 GIADRO C[C@H](NC(=O)CN1CCC[N@H+](CC2CCCCC2)CC1)c1ccccc1Cl ZINC000059424793 823496455 /nfs/dbraw/zinc/49/64/55/823496455.db2.gz BYSGPPMKDZJBMM-SFHVURJKSA-N 1 0 391.987 4.105 20 0 GIADRO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)c1ccc(-n2ccnc2)cc1 ZINC000123332004 823497416 /nfs/dbraw/zinc/49/74/16/823497416.db2.gz JQYBEBNZYQSTAP-UPRUFMODSA-N 1 0 396.535 4.453 20 0 GIADRO C[C@@H](CN1CC[NH+](CCCOCC(F)(F)F)CC1)c1cccc(Cl)c1 ZINC000189803174 823497445 /nfs/dbraw/zinc/49/74/45/823497445.db2.gz VQNVFOFLAOBYKZ-HNNXBMFYSA-N 1 0 378.866 4.030 20 0 GIADRO Brc1ccccc1-c1nnc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)o1 ZINC000030824641 820688402 /nfs/dbraw/zinc/68/84/02/820688402.db2.gz YEHBDYITIQXYEA-OAHLLOKOSA-N 1 0 384.277 4.489 20 0 GIADRO c1ncn(Cc2ccccc2C[NH2+]Cc2cccc(OCc3ccccc3)c2)n1 ZINC000030900766 820705125 /nfs/dbraw/zinc/70/51/25/820705125.db2.gz JRYBNVLGTGPKKA-UHFFFAOYSA-N 1 0 384.483 4.195 20 0 GIADRO COc1ncccc1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000030901364 820705205 /nfs/dbraw/zinc/70/52/05/820705205.db2.gz WUJVOYJQZKVCOO-UHFFFAOYSA-N 1 0 388.446 4.372 20 0 GIADRO C[C@@H]1CCC[N@H+](CCNC(=O)c2cc(NC(=O)CC(C)(C)C)ccc2Cl)C1 ZINC000460738064 823500494 /nfs/dbraw/zinc/50/04/94/823500494.db2.gz SKFQGLBUUFPOJI-OAHLLOKOSA-N 1 0 393.959 4.176 20 0 GIADRO Cn1nccc1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000030906724 820706005 /nfs/dbraw/zinc/70/60/05/820706005.db2.gz CYMXIBPQMIBIHU-UHFFFAOYSA-N 1 0 377.879 4.216 20 0 GIADRO CCOc1cc(C[NH2+]CC(C)(C)c2ccccc2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000030906002 820706036 /nfs/dbraw/zinc/70/60/36/820706036.db2.gz VTWNKIBJGUICOX-SFHVURJKSA-N 1 0 398.547 4.008 20 0 GIADRO Cc1ccc(Cn2cc(C[NH2+]Cc3ccnn3C)c(-c3ccc(C)cc3)n2)cc1 ZINC000030906830 820706173 /nfs/dbraw/zinc/70/61/73/820706173.db2.gz WBODVPNKGOWGHG-UHFFFAOYSA-N 1 0 385.515 4.239 20 0 GIADRO Cc1c(C[NH2+][C@H]2CCCN(Cc3ccccc3)C2)sc2nc(C)nc(C)c12 ZINC000030908899 820706792 /nfs/dbraw/zinc/70/67/92/820706792.db2.gz SVBPMVBSMQBWFC-IBGZPJMESA-N 1 0 380.561 4.371 20 0 GIADRO Clc1cccc([C@H](C[NH2+]Cc2ccc(-n3cccn3)cc2)N2CCCC2)c1 ZINC000030910997 820707518 /nfs/dbraw/zinc/70/75/18/820707518.db2.gz ZAQWWTWDNJKGHB-QFIPXVFZSA-N 1 0 380.923 4.452 20 0 GIADRO Clc1cccc([C@@H](C[NH2+]Cc2ccc(-n3ccnc3)cc2)N2CCCC2)c1 ZINC000030911064 820707574 /nfs/dbraw/zinc/70/75/74/820707574.db2.gz VAIMLXLHVYEKFW-JOCHJYFZSA-N 1 0 380.923 4.452 20 0 GIADRO COc1ccc(C[NH2+]C[C@H](c2cccc(C)c2)N2CCOCC2)c2ccccc12 ZINC000030915556 820708144 /nfs/dbraw/zinc/70/81/44/820708144.db2.gz IUHZEDPJHVFZDK-XMMPIXPASA-N 1 0 390.527 4.320 20 0 GIADRO COc1ccc2cc(C[NH2+]C[C@H](c3cccc(C)c3)N3CCOCC3)ccc2c1 ZINC000030915777 820708183 /nfs/dbraw/zinc/70/81/83/820708183.db2.gz UZERPFNTTPCZCA-RUZDIDTESA-N 1 0 390.527 4.320 20 0 GIADRO CC(C)c1ccc(C[N@H+](C)CCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 ZINC000030958944 820711814 /nfs/dbraw/zinc/71/18/14/820711814.db2.gz WVLXOUPNSUUATF-UHFFFAOYSA-N 1 0 395.547 4.107 20 0 GIADRO C[C@@H](CC(=O)Nc1ccccc1)[NH2+]Cc1nccn1CCCc1ccccc1 ZINC000177607723 823499966 /nfs/dbraw/zinc/49/99/66/823499966.db2.gz FJRJIPJLCMKCLA-IBGZPJMESA-N 1 0 376.504 4.023 20 0 GIADRO C[C@@H](NCc1ccccc1C[NH+]1CCCCCC1)c1nnnn1C1CCCCC1 ZINC000189835442 823503898 /nfs/dbraw/zinc/50/38/98/823503898.db2.gz BZVZUDMEOPVIHF-LJQANCHMSA-N 1 0 396.583 4.405 20 0 GIADRO Cc1cc(NC(=O)C2CC[NH+](Cc3cc(C)c(OC(F)F)c(C)c3)CC2)no1 ZINC000123388668 823504227 /nfs/dbraw/zinc/50/42/27/823504227.db2.gz UYLOIOQSZDVICD-UHFFFAOYSA-N 1 0 393.434 4.052 20 0 GIADRO COc1ccc([C@@H](Cc2ccccc2C)[NH2+]C[C@@H](O)CC(F)(F)F)cc1OC ZINC000189837677 823504224 /nfs/dbraw/zinc/50/42/24/823504224.db2.gz GLOPDJSCEIPSMJ-ZWKOTPCHSA-N 1 0 397.437 4.199 20 0 GIADRO CC[C@H](NC(=O)NCc1ccc(C[NH+](CC)CC)cc1)c1ccccc1OC ZINC000031103313 820743099 /nfs/dbraw/zinc/74/30/99/820743099.db2.gz FHBMKSXHQYFWFW-NRFANRHFSA-N 1 0 383.536 4.488 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1cccc(Br)c1 ZINC000060007451 823504599 /nfs/dbraw/zinc/50/45/99/823504599.db2.gz YBNRXURMHVJBDP-UHFFFAOYSA-N 1 0 391.309 4.422 20 0 GIADRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)N[C@H]1CCSc2c(F)cccc21 ZINC000031123525 820746855 /nfs/dbraw/zinc/74/68/55/820746855.db2.gz QWKQSDZMYYSKLA-FQEVSTJZSA-N 1 0 399.535 4.110 20 0 GIADRO C[C@@](O)(CC[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1)c1ccccc1 ZINC000189843433 823504986 /nfs/dbraw/zinc/50/49/86/823504986.db2.gz VNHGOOHUTLGBNZ-RUZDIDTESA-N 1 0 398.510 4.322 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H](C)C[C@H](O)c1ccc(F)cc1)CC3 ZINC000123395496 823505275 /nfs/dbraw/zinc/50/52/75/823505275.db2.gz AKDGQPRGEHNYOZ-KNUWZQJKSA-N 1 0 382.479 4.275 20 0 GIADRO Cc1cc(C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)ccc1-n1cncn1 ZINC000460739509 823500981 /nfs/dbraw/zinc/50/09/81/823500981.db2.gz GVEUJSOWAIINAF-KRWDZBQOSA-N 1 0 389.503 4.060 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3c[nH]c(=O)c4ccccc34)cc2)C1 ZINC000189816270 823500996 /nfs/dbraw/zinc/50/09/96/823500996.db2.gz BNOBLZSPOPKOEP-MRXNPFEDSA-N 1 0 375.472 4.012 20 0 GIADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(Cl)c3cc(Cl)ccc3n2)C1 ZINC000410594123 823505745 /nfs/dbraw/zinc/50/57/45/823505745.db2.gz SZCICPYCZWDBNL-SGTLLEGYSA-N 1 0 378.303 4.098 20 0 GIADRO CCCC[N@H+](CC(=O)Nc1ccc(C(=O)N(C)C)cc1)[C@H](C)c1ccccc1 ZINC000123360039 823501319 /nfs/dbraw/zinc/50/13/19/823501319.db2.gz FRZSDKVWWMMDBN-GOSISDBHSA-N 1 0 381.520 4.190 20 0 GIADRO COc1cccc(C[NH+]2CCC(NC(=O)C3(c4ccc(Cl)cc4)CC3)CC2)c1 ZINC000059886240 823501621 /nfs/dbraw/zinc/50/16/21/823501621.db2.gz ZNCPRWXJXOQHNJ-UHFFFAOYSA-N 1 0 398.934 4.161 20 0 GIADRO C[NH+](C)Cc1ccccc1NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1 ZINC000031231824 820775073 /nfs/dbraw/zinc/77/50/73/820775073.db2.gz FHYMMRRBFFGYHB-UHFFFAOYSA-N 1 0 385.414 4.253 20 0 GIADRO Cc1cccc2nc(C3CC[NH+](CCC(=O)N(C)c4ccccc4)CC3)oc21 ZINC000189820053 823501890 /nfs/dbraw/zinc/50/18/90/823501890.db2.gz BJQNIFJNLITROL-UHFFFAOYSA-N 1 0 377.488 4.369 20 0 GIADRO C[C@H]1CCC[C@@](CNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)([NH+](C)C)C1 ZINC000059891332 823502057 /nfs/dbraw/zinc/50/20/57/823502057.db2.gz OCBNJHZKBBIHCA-MHECFPHRSA-N 1 0 393.531 4.179 20 0 GIADRO COc1cccc([C@H](C)CC(=O)Nc2ccccc2NC2CC[NH+](C)CC2)c1 ZINC000177638732 823505903 /nfs/dbraw/zinc/50/59/03/823505903.db2.gz YJFQHMIOVZTNDU-QGZVFWFLSA-N 1 0 381.520 4.334 20 0 GIADRO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000059924128 823502894 /nfs/dbraw/zinc/50/28/94/823502894.db2.gz AMRWMBIOYFMMRJ-CYBMUJFWSA-N 1 0 393.890 4.294 20 0 GIADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)c1oc2c(c1C)C(=O)CCC2 ZINC000177621415 823502926 /nfs/dbraw/zinc/50/29/26/823502926.db2.gz SWNVHYYOPWZOSN-UHFFFAOYSA-N 1 0 388.533 4.153 20 0 GIADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cc3ccccc3cc2NC(=O)C2CC2)C1 ZINC000060207320 823511793 /nfs/dbraw/zinc/51/17/93/823511793.db2.gz KWFNTQODLUMNQP-KRWDZBQOSA-N 1 0 393.531 4.039 20 0 GIADRO CC(C)[NH+]1CCC(NC(=O)CCSc2ccnc3cc(Cl)ccc32)CC1 ZINC000177651937 823507494 /nfs/dbraw/zinc/50/74/94/823507494.db2.gz AFMBIMYRLYLSNO-UHFFFAOYSA-N 1 0 391.968 4.359 20 0 GIADRO Cc1ccc(-n2ncc(C(=O)NCCC[N@@H+]3CCCC[C@@H]3C)c2C(C)C)cc1 ZINC000060091570 823507517 /nfs/dbraw/zinc/50/75/17/823507517.db2.gz JCCDOJJQLYLQMM-IBGZPJMESA-N 1 0 382.552 4.298 20 0 GIADRO O=C(CCc1nc2ccccc2s1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000031566024 820827027 /nfs/dbraw/zinc/82/70/27/820827027.db2.gz CLKYZPDAWACUDZ-GOSISDBHSA-N 1 0 379.529 4.010 20 0 GIADRO Cc1nc2cc(C(=O)NC[C@@H]3CCC[N@@H+](C(C)C)C3)ccc2n1-c1ccccc1 ZINC000060207655 823511926 /nfs/dbraw/zinc/51/19/26/823511926.db2.gz GTVSXNORMGQCRG-IBGZPJMESA-N 1 0 390.531 4.184 20 0 GIADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)COc2cc(Cl)c(Cl)cc2Cl)C1 ZINC000060207822 823511949 /nfs/dbraw/zinc/51/19/49/823511949.db2.gz AOSXFTGQXJNGRD-LBPRGKRZSA-N 1 0 393.742 4.262 20 0 GIADRO C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000060220738 823512559 /nfs/dbraw/zinc/51/25/59/823512559.db2.gz MJDUNHQIBIZZCK-OAHLLOKOSA-N 1 0 390.936 4.295 20 0 GIADRO C[N@H+](Cc1ncc(-c2cccc(F)c2)o1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000177658259 823508997 /nfs/dbraw/zinc/50/89/97/823508997.db2.gz HFWSYTFNLJJNIO-UHFFFAOYSA-N 1 0 389.471 4.312 20 0 GIADRO CC[NH2+]Cc1cccc(NC(=O)c2cc(NC(C)=O)cc(C(F)(F)F)c2)c1 ZINC000123437125 823508981 /nfs/dbraw/zinc/50/89/81/823508981.db2.gz AJCKALZJNLBQTF-UHFFFAOYSA-N 1 0 379.382 4.026 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1cc2cc(F)ccc2s1 ZINC000177679401 823512494 /nfs/dbraw/zinc/51/24/94/823512494.db2.gz OPJJYOGEBGHIKE-UHFFFAOYSA-N 1 0 398.503 4.497 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)NCc2ccc(OC)c(OC(F)F)c2)cc1 ZINC000031741560 820854229 /nfs/dbraw/zinc/85/42/29/820854229.db2.gz IGLJXZUNHLAHLO-UHFFFAOYSA-N 1 0 392.446 4.068 20 0 GIADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2cc(-c3ccccc3F)on2)CC1 ZINC000031765146 820856515 /nfs/dbraw/zinc/85/65/15/820856515.db2.gz XGNRGDNSSZIAPX-UHFFFAOYSA-N 1 0 393.462 4.137 20 0 GIADRO C[C@H](CNC(=O)c1cc(-c2ccncc2)nc2ccccc21)[NH+]1CCC(C)CC1 ZINC000060156533 823510346 /nfs/dbraw/zinc/51/03/46/823510346.db2.gz YAXBBBUIEGJEIR-GOSISDBHSA-N 1 0 388.515 4.147 20 0 GIADRO O=C(N[C@H](c1cccc(Cl)c1)c1ccccn1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000177667510 823510945 /nfs/dbraw/zinc/51/09/45/823510945.db2.gz BBFCSGBOSKWKII-TZIWHRDSSA-N 1 0 398.938 4.094 20 0 GIADRO C/C(=C\C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)c1cccc(Cl)c1 ZINC000177668518 823511076 /nfs/dbraw/zinc/51/10/76/823511076.db2.gz JXWHLPQBWBCURC-GHRIWEEISA-N 1 0 398.934 4.016 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)[C@@H]3CCCc4ccccc43)CC2)cc1 ZINC000060185751 823511175 /nfs/dbraw/zinc/51/11/75/823511175.db2.gz PXJWGUAWNAPWKK-XMMPIXPASA-N 1 0 392.543 4.144 20 0 GIADRO CC(C)(C)CC(=O)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000031956681 820879227 /nfs/dbraw/zinc/87/92/27/820879227.db2.gz MTDDWQHSBVBQHI-UHFFFAOYSA-N 1 0 379.548 4.061 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1csc(Br)c1)c1ccsc1 ZINC000031983951 820883350 /nfs/dbraw/zinc/88/33/50/820883350.db2.gz NWICGJURAVIDHI-CYBMUJFWSA-N 1 0 387.368 4.385 20 0 GIADRO Cc1cscc1NC(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000123474941 823512732 /nfs/dbraw/zinc/51/27/32/823512732.db2.gz ZBCGBSDVJFNRLJ-UHFFFAOYSA-N 1 0 387.549 4.249 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(-c4ccccc4)on3)c(C)c2)CC1 ZINC000032209439 820902766 /nfs/dbraw/zinc/90/27/66/820902766.db2.gz NJLIODKZLZDAAS-UHFFFAOYSA-N 1 0 390.487 4.044 20 0 GIADRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3ccc(F)c(C(F)(F)F)c3)C2)CC1 ZINC000060275168 823514052 /nfs/dbraw/zinc/51/40/52/823514052.db2.gz SYOCUDVBTHXMKU-HNNXBMFYSA-N 1 0 386.433 4.429 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(OC)ccc1OC)c1ccccc1Cl ZINC000032316600 820914108 /nfs/dbraw/zinc/91/41/08/820914108.db2.gz BWWJUYFZQVCDCL-IBGZPJMESA-N 1 0 390.911 4.170 20 0 GIADRO COC(=O)[C@@](C)(C[NH2+][C@H](C)C(=O)Nc1c(C)cccc1C(C)C)c1ccccc1 ZINC000189939836 823516146 /nfs/dbraw/zinc/51/61/46/823516146.db2.gz GUUWTUAUYQCRDA-KOSHJBKYSA-N 1 0 396.531 4.166 20 0 GIADRO CC[C@@H](CNC(=O)CCSc1ccc(OC)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000032447105 820945981 /nfs/dbraw/zinc/94/59/81/820945981.db2.gz UJUSJIXTPVHLQP-FQEVSTJZSA-N 1 0 398.572 4.131 20 0 GIADRO CC[C@H](CNC(=O)CCC(=O)c1ccc(Cl)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000032445872 820946087 /nfs/dbraw/zinc/94/60/87/820946087.db2.gz SZAOKUWBZPEHNU-OAQYLSRUSA-N 1 0 398.934 4.256 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)N2CCCCC[C@H]2C[C@@H](O)c2ccco2)c1 ZINC000177720262 823516490 /nfs/dbraw/zinc/51/64/90/823516490.db2.gz WRWWMNZNOOXCCB-VQTJNVASSA-N 1 0 385.508 4.241 20 0 GIADRO COCCOc1ccc([C@@H](C)[NH2+]Cc2ccccc2-n2nc(C)cc2C)cc1 ZINC000123518687 823516631 /nfs/dbraw/zinc/51/66/31/823516631.db2.gz VFYICEBUBBDENK-LJQANCHMSA-N 1 0 379.504 4.365 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)N2CCCCC[C@H]2C[C@H](O)c2ccco2)c1 ZINC000177720238 823516646 /nfs/dbraw/zinc/51/66/46/823516646.db2.gz WRWWMNZNOOXCCB-PMACEKPBSA-N 1 0 385.508 4.241 20 0 GIADRO FC(F)(F)c1ccc(CCC[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)cc1 ZINC000177724362 823516936 /nfs/dbraw/zinc/51/69/36/823516936.db2.gz RDQXGJAYRIFSNN-INIZCTEOSA-N 1 0 378.442 4.055 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1)CC3 ZINC000123521703 823516999 /nfs/dbraw/zinc/51/69/99/823516999.db2.gz YQSQBYMDVIZKDI-LRTDBIEQSA-N 1 0 388.870 4.150 20 0 GIADRO C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000032483517 820956877 /nfs/dbraw/zinc/95/68/77/820956877.db2.gz NDZVCPIHFJFTHE-ZBFHGGJFSA-N 1 0 395.330 4.050 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@H](O)c1ccc(Cl)c(F)c1)CC3 ZINC000123521358 823517054 /nfs/dbraw/zinc/51/70/54/823517054.db2.gz YQSQBYMDVIZKDI-ASSNKEHSSA-N 1 0 388.870 4.150 20 0 GIADRO Cc1cc(NC(=O)C2(c3ccc(Cl)cc3)CC2)ccc1N1CC[NH+](C)CC1 ZINC000032495316 820960694 /nfs/dbraw/zinc/96/06/94/820960694.db2.gz CBLFPZMVRRFQGP-UHFFFAOYSA-N 1 0 383.923 4.071 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)c1ccc(OCC(F)(F)F)cc1 ZINC000177738993 823518717 /nfs/dbraw/zinc/51/87/17/823518717.db2.gz QTHFUDOJRQLVRI-CQSZACIVSA-N 1 0 380.410 4.180 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@H](C)Cc2cccs2)ccc1S(=O)(=O)C(F)F ZINC000177742761 823519199 /nfs/dbraw/zinc/51/91/99/823519199.db2.gz ODRDDXLAMFIISI-VXGBXAGGSA-N 1 0 389.489 4.035 20 0 GIADRO c1cc(-c2nc3ccccc3s2)oc1C[NH+]1CCC(Cn2cncn2)CC1 ZINC000189973075 823519873 /nfs/dbraw/zinc/51/98/73/823519873.db2.gz AHZQVKJDOTUBRG-UHFFFAOYSA-N 1 0 379.489 4.060 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1csc(-c2ccc(F)cc2)n1)c1cccc(F)c1 ZINC000032729771 820998520 /nfs/dbraw/zinc/99/85/20/820998520.db2.gz DIUWAAGPMOAUMR-SFHVURJKSA-N 1 0 387.455 4.121 20 0 GIADRO CCc1ccc([C@H](CNC(=O)c2cc(Br)ccc2F)[NH+](C)C)cc1 ZINC000032733355 821000539 /nfs/dbraw/zinc/00/05/39/821000539.db2.gz JBAADVALUMOBFT-SFHVURJKSA-N 1 0 393.300 4.183 20 0 GIADRO Cc1ccc(-n2ncc(C(=O)NC[C@H](C)[N@@H+]3CCCC[C@@H]3C)c2C(C)C)cc1 ZINC000032737439 821001577 /nfs/dbraw/zinc/00/15/77/821001577.db2.gz INTIPTYOAOHPHK-OALUTQOASA-N 1 0 382.552 4.297 20 0 GIADRO CCCc1cccc(C(C)C)c1NC(=O)N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000189978200 823520654 /nfs/dbraw/zinc/52/06/54/823520654.db2.gz UFGKBJUCQPMMEL-HXUWFJFHSA-N 1 0 386.584 4.006 20 0 GIADRO O=C(/C=C/c1ccc2ccccc2n1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000032761374 821004167 /nfs/dbraw/zinc/00/41/67/821004167.db2.gz GPTWYRJERQUJAN-SGWGQVFISA-N 1 0 377.513 4.263 20 0 GIADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccc(Br)cc1F ZINC000032761941 821004445 /nfs/dbraw/zinc/00/44/45/821004445.db2.gz PQOHIEUWDCYJBT-OAHLLOKOSA-N 1 0 397.313 4.217 20 0 GIADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccc(N2CCCCCC2)nc1 ZINC000032763012 821005480 /nfs/dbraw/zinc/00/54/80/821005480.db2.gz BNJLHUQXYVQNCJ-LJQANCHMSA-N 1 0 398.576 4.090 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1F)c1ccc(OCC(F)(F)F)cc1 ZINC000177754831 823521210 /nfs/dbraw/zinc/52/12/10/823521210.db2.gz ZZEUXOYUWQUBIF-PIGZYNQJSA-N 1 0 375.337 4.290 20 0 GIADRO C=CCNC(=S)C(C(=O)c1ccc(Cl)cc1)[n+]1ccc2c(c1)CCCC2 ZINC000032813793 821010833 /nfs/dbraw/zinc/01/08/33/821010833.db2.gz ZIAYPAQXUUBZPC-UHFFFAOYSA-O 1 0 385.940 4.221 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1)c1cnn(Cc2ccccc2)c1 ZINC000177756177 823521429 /nfs/dbraw/zinc/52/14/29/823521429.db2.gz RVZTWONDVJGYKK-ROUUACIJSA-N 1 0 390.487 4.300 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cccc(NC(=O)c2ccccc2)c1 ZINC000177761670 823522133 /nfs/dbraw/zinc/52/21/33/823522133.db2.gz HVLJTEFUCAAUJM-RTWAWAEBSA-N 1 0 392.503 4.029 20 0 GIADRO Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccc(C[NH+](C)C)cc3)cc12 ZINC000032976837 821023734 /nfs/dbraw/zinc/02/37/34/821023734.db2.gz HYWWKOJRXRMECV-UHFFFAOYSA-N 1 0 385.471 4.043 20 0 GIADRO CCCOc1ccc(C(=O)N(C)C2CC[NH+](CCC)CC2)cc1OCCC ZINC000060404122 823523998 /nfs/dbraw/zinc/52/39/98/823523998.db2.gz LXAYVHFVTHPISU-UHFFFAOYSA-N 1 0 376.541 4.211 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(NC(=O)Nc2ccccc2)s1 ZINC000177767197 823523058 /nfs/dbraw/zinc/52/30/58/823523058.db2.gz LWHRHHGABQUWPS-SJORKVTESA-N 1 0 398.532 4.091 20 0 GIADRO Cc1ccc(Oc2ccccc2NC(=O)CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000123591470 823524215 /nfs/dbraw/zinc/52/42/15/823524215.db2.gz TUABHDAJADAJOC-RTBURBONSA-N 1 0 381.520 4.140 20 0 GIADRO COc1ccc(C[NH+]2CCC(CCC[NH+](C)C)CC2)c(Br)c1OC ZINC000123628474 823527468 /nfs/dbraw/zinc/52/74/68/823527468.db2.gz CBMZPMZOMQFCPQ-UHFFFAOYSA-N 1 0 399.373 4.020 20 0 GIADRO C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NCc1ccccc1C[NH+](C)C ZINC000033221812 821050797 /nfs/dbraw/zinc/05/07/97/821050797.db2.gz UWOORGVGSNIGLA-CYBMUJFWSA-N 1 0 381.303 4.139 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1cn(C)nc1-c1ccccc1)CC3 ZINC000123641901 823528521 /nfs/dbraw/zinc/52/85/21/823528521.db2.gz VNXWQLWPVKSGCV-SFHVURJKSA-N 1 0 386.499 4.224 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1ccc(COc2ccc(F)cc2)o1)c1cccs1 ZINC000035982413 821067342 /nfs/dbraw/zinc/06/73/42/821067342.db2.gz CUWLXAFCCVBUTF-KRWDZBQOSA-N 1 0 388.464 4.092 20 0 GIADRO CCOc1ccc(CC(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)cc1 ZINC000036099591 821068729 /nfs/dbraw/zinc/06/87/29/821068729.db2.gz VASDCCZFHPIEBL-OAQYLSRUSA-N 1 0 386.923 4.235 20 0 GIADRO O=C(CCCc1c[nH]c2ccccc12)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000036659934 821074176 /nfs/dbraw/zinc/07/41/76/821074176.db2.gz VSGIIPVBZHCLRE-HSZRJFAPSA-N 1 0 375.516 4.444 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1c2c(nc3ccccc31)CCC2 ZINC000036709258 821078042 /nfs/dbraw/zinc/07/80/42/821078042.db2.gz HURVAIVCWZXBRJ-NRFANRHFSA-N 1 0 389.499 4.274 20 0 GIADRO CC[C@@H](C)c1ccccc1OCC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000036714551 821078084 /nfs/dbraw/zinc/07/80/84/821078084.db2.gz BOGZRFIQXQIRLK-GOSISDBHSA-N 1 0 395.547 4.278 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]Cc1ccc(Cn2cncn2)cc1 ZINC000177774835 823524377 /nfs/dbraw/zinc/52/43/77/823524377.db2.gz KHFUSFSAOYDYNS-OAHLLOKOSA-N 1 0 390.516 4.004 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)CSc1nc2ccccc2o1)c1ccccc1 ZINC000036718724 821078380 /nfs/dbraw/zinc/07/83/80/821078380.db2.gz FYUTVQCKDPAAAL-SFHVURJKSA-N 1 0 383.517 4.119 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)c1cc(Cl)ccc1OC(F)F ZINC000177776308 823524549 /nfs/dbraw/zinc/52/45/49/823524549.db2.gz UJQQRUOJDOPEAM-ZDUSSCGKSA-N 1 0 392.837 4.432 20 0 GIADRO CC[C@@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)c1cccc(Br)c1 ZINC000177776870 823524556 /nfs/dbraw/zinc/52/45/56/823524556.db2.gz ZKVDXIUGWMSGQJ-LJQANCHMSA-N 1 0 385.309 4.330 20 0 GIADRO CC[NH+]1CCN(c2cccc(NCc3ccc(Oc4cnccn4)cc3)c2)CC1 ZINC000190009240 823525253 /nfs/dbraw/zinc/52/52/53/823525253.db2.gz JNQMEVJOKSZWQQ-UHFFFAOYSA-N 1 0 389.503 4.023 20 0 GIADRO COc1ccc(C[NH2+][C@H](C)c2ccc(I)cc2)cc1OC ZINC000037218479 821091466 /nfs/dbraw/zinc/09/14/66/821091466.db2.gz JZNVAEBPGCWRPG-GFCCVEGCSA-N 1 0 397.256 4.159 20 0 GIADRO CN(C)C(=O)[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000038251139 821095457 /nfs/dbraw/zinc/09/54/57/821095457.db2.gz FVYZISKSBLQFPD-FXAWDEMLSA-N 1 0 379.529 4.305 20 0 GIADRO COC(=O)C[C@@](C)([NH2+]Cc1ccc(Cl)c(Br)c1)c1ccncc1 ZINC000190019962 823526604 /nfs/dbraw/zinc/52/66/04/823526604.db2.gz UGLBKAKBYQNSOB-QGZVFWFLSA-N 1 0 397.700 4.066 20 0 GIADRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cc(NC(=O)CC(C)(C)C)ccc1Cl ZINC000460844596 823527038 /nfs/dbraw/zinc/52/70/38/823527038.db2.gz FDPJYCRGPNFBOJ-INIZCTEOSA-N 1 0 395.975 4.421 20 0 GIADRO O=C(NC[C@H]1CC[C@@H](c2ccccc2)O1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000460859090 823530337 /nfs/dbraw/zinc/53/03/37/823530337.db2.gz KABHSXCCYZNIRE-MZYLBHOOSA-N 1 0 396.506 4.074 20 0 GIADRO Cc1oc(-c2cccs2)nc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000060502352 823535310 /nfs/dbraw/zinc/53/53/10/823535310.db2.gz VTBUADVHZCPZTN-QGZVFWFLSA-N 1 0 381.501 4.106 20 0 GIADRO O=C1NCCCN1C1CC[NH+](CCCCc2ccc(Cl)c(Cl)c2)CC1 ZINC000190053035 823530892 /nfs/dbraw/zinc/53/08/92/823530892.db2.gz QNVODLUISZVUBW-UHFFFAOYSA-N 1 0 384.351 4.196 20 0 GIADRO CC(C)n1cc([C@@H](C)[NH2+]C[C@@H](O)c2cccc(OCc3ccccc3)c2)cn1 ZINC000123677390 823530889 /nfs/dbraw/zinc/53/08/89/823530889.db2.gz CBCWYKMBLRRDEX-WZONZLPQSA-N 1 0 379.504 4.427 20 0 GIADRO COc1ccccc1[C@@H]1CCN(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)C1 ZINC000123687513 823531701 /nfs/dbraw/zinc/53/17/01/823531701.db2.gz UFLHUDCDTUAALO-OAQYLSRUSA-N 1 0 395.547 4.235 20 0 GIADRO COc1ccc(Cc2nc(C)c([C@@H](C)[NH2+][C@H](CCO)C(C)C)s2)cc1OC ZINC000123690034 823531784 /nfs/dbraw/zinc/53/17/84/823531784.db2.gz LOHWTAVBGYIJLJ-RHSMWYFYSA-N 1 0 392.565 4.117 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)N1CC2(CCC2)[C@@H]1C1CC1)c1cccc(C(F)(F)F)c1 ZINC000460882935 823535586 /nfs/dbraw/zinc/53/55/86/823535586.db2.gz NHGVHKJWHPRJOL-ROUUACIJSA-N 1 0 395.469 4.282 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000177828240 823532208 /nfs/dbraw/zinc/53/22/08/823532208.db2.gz KMMIHCMAPDIMEE-OLZOCXBDSA-N 1 0 387.423 4.401 20 0 GIADRO O=C([C@H]1CCSc2ccccc21)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000460868775 823532710 /nfs/dbraw/zinc/53/27/10/823532710.db2.gz CWFKLRLAOQVATI-QFIPXVFZSA-N 1 0 394.584 4.433 20 0 GIADRO O=C(c1ccc(Cl)cc1)C1CC[NH+](CCOCCOc2ccccc2)CC1 ZINC000060482248 823532817 /nfs/dbraw/zinc/53/28/17/823532817.db2.gz MEZZUWZBPLMSHV-UHFFFAOYSA-N 1 0 387.907 4.330 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)CCc1ncc(-c2ccccc2)o1)c1ccco1 ZINC000041020148 821167394 /nfs/dbraw/zinc/16/73/94/821167394.db2.gz JKWOHKCMZDFMNV-GOSISDBHSA-N 1 0 381.476 4.067 20 0 GIADRO Cn1ccc2cccc(NC(=O)N(Cc3ccccc3)C3CC[NH+](C)CC3)c21 ZINC000190069216 823533627 /nfs/dbraw/zinc/53/36/27/823533627.db2.gz AFDIHQZIVZFEEY-UHFFFAOYSA-N 1 0 376.504 4.307 20 0 GIADRO Cc1cccc(CNC(=O)C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)c1 ZINC000041448830 821193482 /nfs/dbraw/zinc/19/34/82/821193482.db2.gz QHEKCSHZQXSNML-UHFFFAOYSA-N 1 0 393.531 4.014 20 0 GIADRO Cc1cc(C(=O)N(C)CC[N@H+](C)C2CCCCC2)ccc1NC(=O)CC(C)C ZINC000460879936 823535087 /nfs/dbraw/zinc/53/50/87/823535087.db2.gz YCBYHGLDFLVTMT-UHFFFAOYSA-N 1 0 387.568 4.316 20 0 GIADRO C[C@H]([NH2+]CCCn1ccnc1)c1ccc(Br)cc1Br ZINC000041641724 821215363 /nfs/dbraw/zinc/21/53/63/821215363.db2.gz UCRYZJDANGXHEJ-NSHDSACASA-N 1 0 387.119 4.149 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=S)Nc1ccc(NC(C)=O)cc1)c1ccsc1 ZINC000041746708 821221812 /nfs/dbraw/zinc/22/18/12/821221812.db2.gz YZNYYIXJNSAFFN-GOSISDBHSA-N 1 0 390.578 4.076 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@@H](C)c2cc(C)sc2C)c1 ZINC000041761049 821224203 /nfs/dbraw/zinc/22/42/03/821224203.db2.gz UQFVFFULIQUDSR-HNNXBMFYSA-N 1 0 387.549 4.023 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(OCc3ccccc3)cc2)[C@H](C)C1 ZINC000177860711 823537562 /nfs/dbraw/zinc/53/75/62/823537562.db2.gz GINOVRINSQCYQN-GCJKJVERSA-N 1 0 381.520 4.460 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccc(Cn4cccn4)cc3)cc2)C1 ZINC000060549040 823541017 /nfs/dbraw/zinc/54/10/17/823541017.db2.gz RDUSVVHTLACNPE-LJQANCHMSA-N 1 0 388.515 4.416 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)/C=C/c1ccc(Br)o1 ZINC000060549497 823541093 /nfs/dbraw/zinc/54/10/93/823541093.db2.gz NPWIEFOKMANPKN-PKNBQFBNSA-N 1 0 391.309 4.212 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)C2CCCCC2)C1)c1ccc(Br)s1 ZINC000123790078 823541080 /nfs/dbraw/zinc/54/10/80/823541080.db2.gz KLRAGRYPPUGUBK-GXTWGEPZSA-N 1 0 385.371 4.342 20 0 GIADRO CCCOc1c(Cl)cc(C[NH2+]C2CCN(C(=O)OCC)CC2)cc1OCC ZINC000060523800 823538308 /nfs/dbraw/zinc/53/83/08/823538308.db2.gz HPCOUNHTEACRIH-UHFFFAOYSA-N 1 0 398.931 4.238 20 0 GIADRO CC[C@H](NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)c1c(C)noc1C ZINC000123761088 823538415 /nfs/dbraw/zinc/53/84/15/823538415.db2.gz YXYHBYPSVGXYJM-MOPGFXCFSA-N 1 0 376.545 4.040 20 0 GIADRO COc1ccc(CNC[C@]2([NH+](C)C)CCC[C@H](C)C2)cc1OCc1cccnc1 ZINC000060528158 823538502 /nfs/dbraw/zinc/53/85/02/823538502.db2.gz QPBNGMXWGGMMQY-CYFREDJKSA-N 1 0 397.563 4.269 20 0 GIADRO Cc1cc(C[NH2+]Cc2cccc3c2OCO3)cc(C)c1OCc1ccccn1 ZINC000060527074 823538508 /nfs/dbraw/zinc/53/85/08/823538508.db2.gz QKDNGHNUWIVRFH-UHFFFAOYSA-N 1 0 376.456 4.296 20 0 GIADRO CCCc1cc(N2CCC(C(=O)NCCCOC(C)C)CC2)c2ccccc2[nH+]1 ZINC000123767005 823538833 /nfs/dbraw/zinc/53/88/33/823538833.db2.gz NWZVMAUPJXOHSR-UHFFFAOYSA-N 1 0 397.563 4.335 20 0 GIADRO O=C(Nc1ccc(NC(=O)c2cccc(C[NH+]3CCCC3)c2)cc1)c1ccco1 ZINC000060552260 823541462 /nfs/dbraw/zinc/54/14/62/823541462.db2.gz XRLDURFELANVEK-UHFFFAOYSA-N 1 0 389.455 4.380 20 0 GIADRO CC[C@@H](OC1CCCC1)C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000411070375 823541223 /nfs/dbraw/zinc/54/12/23/823541223.db2.gz HHQAQWPACJUYHN-LJQANCHMSA-N 1 0 394.943 4.489 20 0 GIADRO O=C(NC1CC1)[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000123781100 823540230 /nfs/dbraw/zinc/54/02/30/823540230.db2.gz RTOXFYWBFCFYFO-LAUBAEHRSA-N 1 0 375.472 4.027 20 0 GIADRO Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000042132578 821272724 /nfs/dbraw/zinc/27/27/24/821272724.db2.gz MTTCCNVRRBLIBO-QUCCMNQESA-N 1 0 391.515 4.363 20 0 GIADRO C[C@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000042132497 821272745 /nfs/dbraw/zinc/27/27/45/821272745.db2.gz YPBHSRGOQJLSEZ-WBVHZDCISA-N 1 0 395.528 4.042 20 0 GIADRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(OCc2ccccn2)cc1 ZINC000460911239 823540575 /nfs/dbraw/zinc/54/05/75/823540575.db2.gz QSQHKKWBJKXPHE-NRFANRHFSA-N 1 0 381.520 4.045 20 0 GIADRO Cn1cc(C[NH2+]Cc2ccc(Cl)s2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000042201616 821282994 /nfs/dbraw/zinc/28/29/94/821282994.db2.gz AIAWDWORICAUFN-UHFFFAOYSA-N 1 0 389.908 4.253 20 0 GIADRO COc1ccc([C@H](O)C[NH2+]Cc2cc(C)c(OCc3ccccn3)c(C)c2)cc1 ZINC000042202262 821283041 /nfs/dbraw/zinc/28/30/41/821283041.db2.gz SCQOUBMZMWLCIX-HSZRJFAPSA-N 1 0 392.499 4.109 20 0 GIADRO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)C[N@@H+]1CCCC[C@@H]1C ZINC000042288969 821295476 /nfs/dbraw/zinc/29/54/76/821295476.db2.gz YHNMJADCNVDENK-OALUTQOASA-N 1 0 393.531 4.333 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccsc1 ZINC000042345966 821302284 /nfs/dbraw/zinc/30/22/84/821302284.db2.gz RZSLAMIOTDSXIB-FQEVSTJZSA-N 1 0 388.581 4.039 20 0 GIADRO CCn1c(CNC(=O)NC[C@H](c2ccsc2)[NH+](CC)CC)nc2ccccc21 ZINC000042346029 821302433 /nfs/dbraw/zinc/30/24/33/821302433.db2.gz FNJABHKCXWOQSE-LJQANCHMSA-N 1 0 399.564 4.000 20 0 GIADRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cccc(NC(=O)OC(C)(C)C)c1 ZINC000042537236 821309806 /nfs/dbraw/zinc/30/98/06/821309806.db2.gz BHGSHEXINONRRO-INIZCTEOSA-N 1 0 377.529 4.274 20 0 GIADRO C[NH+]1CCC(NC(=O)CCc2c3ccccc3[nH]c2-c2ccc(F)cc2)CC1 ZINC000042621178 821314816 /nfs/dbraw/zinc/31/48/16/821314816.db2.gz IMHKLFXKFCDRHP-UHFFFAOYSA-N 1 0 379.479 4.117 20 0 GIADRO O[C@H](COc1cccc2ccccc21)C[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000042634969 821316692 /nfs/dbraw/zinc/31/66/92/821316692.db2.gz HFJKUHYEAZSHCI-WIOPSUGQSA-N 1 0 391.511 4.025 20 0 GIADRO O[C@@H](COc1cccc2ccccc21)C[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000042634970 821316766 /nfs/dbraw/zinc/31/67/66/821316766.db2.gz HFJKUHYEAZSHCI-RDGATRHJSA-N 1 0 391.511 4.025 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1ccc(Br)s1 ZINC000042698983 821325379 /nfs/dbraw/zinc/32/53/79/821325379.db2.gz FXXVKNPOVXHSOC-UHFFFAOYSA-N 1 0 397.338 4.484 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1nc(Cl)ccc1Cl ZINC000042699641 821325559 /nfs/dbraw/zinc/32/55/59/821325559.db2.gz CKJPMUURTWUBDA-UHFFFAOYSA-N 1 0 382.291 4.361 20 0 GIADRO COc1ccc([C@H](CNC(=O)Nc2ccc(C(C)=O)cc2)[NH+]2CCCCC2)cc1 ZINC000042738373 821328914 /nfs/dbraw/zinc/32/89/14/821328914.db2.gz UPGOHHCYNOGDSN-QFIPXVFZSA-N 1 0 395.503 4.247 20 0 GIADRO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(OCc3nccn3C)cc2)cc1 ZINC000042743597 821329574 /nfs/dbraw/zinc/32/95/74/821329574.db2.gz ZHRAGQRCDDSUBJ-JOCHJYFZSA-N 1 0 377.488 4.345 20 0 GIADRO Cc1noc(C)c1CSc1ccccc1C(=O)NCC1([NH+](C)C)CCCC1 ZINC000042765579 821332270 /nfs/dbraw/zinc/33/22/70/821332270.db2.gz OIOQHUGWACTEEP-UHFFFAOYSA-N 1 0 387.549 4.188 20 0 GIADRO COc1cc(C[NH2+][C@@H](C)Cc2ccc(Br)cc2)cc(OC)c1OC ZINC000042791384 821332917 /nfs/dbraw/zinc/33/29/17/821332917.db2.gz LBMBDLKVAVPVFW-ZDUSSCGKSA-N 1 0 394.309 4.196 20 0 GIADRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)N(Cc1ccco1)Cc1ccco1 ZINC000042815083 821335316 /nfs/dbraw/zinc/33/53/16/821335316.db2.gz LCQVHWHNBDQCED-QFIPXVFZSA-N 1 0 393.487 4.422 20 0 GIADRO CC[NH+]1CCC(N(C)C(=O)c2cc(Cl)c(OCCC(C)C)c(OC)c2)CC1 ZINC000043064570 821358000 /nfs/dbraw/zinc/35/80/00/821358000.db2.gz KXQGMLFGYCLLKU-UHFFFAOYSA-N 1 0 396.959 4.330 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)N[C@H](c1ccco1)c1ccccc1 ZINC000043137224 821366704 /nfs/dbraw/zinc/36/67/04/821366704.db2.gz NZUUQTLURFRUAC-UGKGYDQZSA-N 1 0 393.487 4.488 20 0 GIADRO COc1cccc([C@H]2CCCN2C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000043136510 821366740 /nfs/dbraw/zinc/36/67/40/821366740.db2.gz VOAOGFADAHQJDT-NHCUHLMSSA-N 1 0 397.519 4.362 20 0 GIADRO CCN(C(=O)NC[C@H](c1cccs1)[NH+](C)C)[C@@H](C)c1cccc(OC)c1 ZINC000043144193 821367366 /nfs/dbraw/zinc/36/73/66/821367366.db2.gz CVEHKRAKFJVWHY-MAUKXSAKSA-N 1 0 375.538 4.152 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)N1CCC[C@H](c2nc3ccccc3o2)C1)c1cccs1 ZINC000043143602 821367667 /nfs/dbraw/zinc/36/76/67/821367667.db2.gz MZBLXTTVUHKLGZ-DOTOQJQBSA-N 1 0 398.532 4.081 20 0 GIADRO CCOc1ccc([C@@H]2CCCN2C(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1 ZINC000043146180 821367817 /nfs/dbraw/zinc/36/78/17/821367817.db2.gz KLBWRIJFYGSVTO-RBUKOAKNSA-N 1 0 387.549 4.296 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Nc1cccc(OCc2cccnc2)c1)c1cccs1 ZINC000043145260 821368183 /nfs/dbraw/zinc/36/81/83/821368183.db2.gz CQFARXIRBLSCBP-IBGZPJMESA-N 1 0 396.516 4.147 20 0 GIADRO CCc1cccc(C)c1NC(=O)NCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000043156181 821369668 /nfs/dbraw/zinc/36/96/68/821369668.db2.gz DDPLQHJURUKYIR-UHFFFAOYSA-N 1 0 394.563 4.200 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N1CCCCC[C@@H]1c1ccncc1 ZINC000043167297 821371593 /nfs/dbraw/zinc/37/15/93/821371593.db2.gz YIKVGRRCXYWQAM-UXHICEINSA-N 1 0 382.508 4.138 20 0 GIADRO CCN(C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)[C@H](C)c1cccc(OC)c1 ZINC000043167245 821371652 /nfs/dbraw/zinc/37/16/52/821371652.db2.gz HMRNGZATDDGEOG-YLJYHZDGSA-N 1 0 385.508 4.218 20 0 GIADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)N[C@@H]1CCSc2ccccc21 ZINC000043166589 821371784 /nfs/dbraw/zinc/37/17/84/821371784.db2.gz FMDYGLDXHOAWQH-HXUWFJFHSA-N 1 0 383.561 4.039 20 0 GIADRO CN(Cc1cccc2ccccc21)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000043167013 821371844 /nfs/dbraw/zinc/37/18/44/821371844.db2.gz QTGZPTFWBASCCX-NRFANRHFSA-N 1 0 377.488 4.411 20 0 GIADRO C[C@@H]1c2ccsc2CCN1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000043231422 821377576 /nfs/dbraw/zinc/37/75/76/821377576.db2.gz BNCXDJRGDOWPDO-ZBFHGGJFSA-N 1 0 375.563 4.275 20 0 GIADRO COc1cc(Cl)c(C)cc1NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180640048 821378713 /nfs/dbraw/zinc/37/87/13/821378713.db2.gz HQMBCOIOUFVVGF-UHFFFAOYSA-N 1 0 388.899 4.090 20 0 GIADRO CCN(C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H](C)c1cccc(OC)c1 ZINC000043239259 821379884 /nfs/dbraw/zinc/37/98/84/821379884.db2.gz WPXMXEQYXOIZKG-WIYYLYMNSA-N 1 0 381.520 4.062 20 0 GIADRO CC[C@H]([NH2+]CC(=O)Nc1c(C)cc(C)cc1Cl)c1ccc2c(c1)OCCO2 ZINC000180647573 821381462 /nfs/dbraw/zinc/38/14/62/821381462.db2.gz YSTAXJLZVJFUBO-KRWDZBQOSA-N 1 0 388.895 4.407 20 0 GIADRO Cn1ccnc1[C@@H](O)[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3F)s2)C1 ZINC000180647797 821381584 /nfs/dbraw/zinc/38/15/84/821381584.db2.gz PYCRWACGLKWKHB-YWZLYKJASA-N 1 0 385.508 4.233 20 0 GIADRO C[NH+](C)CCN(Cc1ccccc1)C(=O)Nc1ccc(Br)cc1F ZINC000043260080 821381793 /nfs/dbraw/zinc/38/17/93/821381793.db2.gz UZJDNRVSGFQYMD-UHFFFAOYSA-N 1 0 394.288 4.184 20 0 GIADRO O=C(CCCc1ccc2ccccc2c1)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000180664586 821387406 /nfs/dbraw/zinc/38/74/06/821387406.db2.gz WGKSOZSNFKSEOK-UHFFFAOYSA-N 1 0 394.559 4.314 20 0 GIADRO COc1cccc([C@H](CNC(=O)N(C)[C@H]2CCc3ccccc32)[NH+]2CCCC2)c1 ZINC000043306934 821389258 /nfs/dbraw/zinc/38/92/58/821389258.db2.gz AFHQYOINOBRZAE-GOTSBHOMSA-N 1 0 393.531 4.161 20 0 GIADRO COC(=O)CC[C@H]([NH2+][C@H](C)c1cccc(N2CCCC2=O)c1)c1ccccc1 ZINC000180670825 821389797 /nfs/dbraw/zinc/38/97/97/821389797.db2.gz AQFPIAQWTSQHHW-UTKZUKDTSA-N 1 0 380.488 4.159 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)Nc1ccccc1SC)[NH+]1CCCC1 ZINC000043319367 821392172 /nfs/dbraw/zinc/39/21/72/821392172.db2.gz DLSUTPCGVYFGNP-SFHVURJKSA-N 1 0 385.533 4.376 20 0 GIADRO C[C@H]([NH2+]CCOc1ccccc1C(F)(F)F)c1cccc(N2CCOC2=O)c1 ZINC000180678912 821392998 /nfs/dbraw/zinc/39/29/98/821392998.db2.gz IYNUQEAUVCVLLH-AWEZNQCLSA-N 1 0 394.393 4.392 20 0 GIADRO CC(C)N(CC[NH+](C)C)C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000180679242 821393126 /nfs/dbraw/zinc/39/31/26/821393126.db2.gz XXRPWFJPYIOSDT-UHFFFAOYSA-N 1 0 383.496 4.135 20 0 GIADRO CSC(C)(C)C[NH2+][C@@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000180686877 821395056 /nfs/dbraw/zinc/39/50/56/821395056.db2.gz XQVXOZQRUBBWNN-IBGZPJMESA-N 1 0 377.575 4.219 20 0 GIADRO Cc1cc(F)ccc1-n1ccc(C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)n1 ZINC000180686887 821395331 /nfs/dbraw/zinc/39/53/31/821395331.db2.gz BXNBCCQWZGMXOX-RBUKOAKNSA-N 1 0 398.526 4.046 20 0 GIADRO CC(C)N(CC[NH+](C)C)C(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1 ZINC000180689528 821396134 /nfs/dbraw/zinc/39/61/34/821396134.db2.gz HHECILPAXSOKHN-UHFFFAOYSA-N 1 0 390.915 4.118 20 0 GIADRO Cc1ccc(F)c(NC(=O)NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)c1 ZINC000043350736 821396654 /nfs/dbraw/zinc/39/66/54/821396654.db2.gz MNFRVLHRQDVVSH-IRXDYDNUSA-N 1 0 385.483 4.065 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)Nc2ccc(OC(F)F)c(Cl)c2)c1 ZINC000043362129 821397701 /nfs/dbraw/zinc/39/77/01/821397701.db2.gz LABVBTFYWSYUDE-UHFFFAOYSA-N 1 0 383.826 4.325 20 0 GIADRO COc1ccccc1[C@H]([NH2+][C@H](C)c1ccc(-n2cnnn2)cc1)c1ccccc1 ZINC000180693589 821398913 /nfs/dbraw/zinc/39/89/13/821398913.db2.gz CHSPHEPDENEURO-UZUQRXQVSA-N 1 0 385.471 4.111 20 0 GIADRO COc1cc2c(cc1OC)CN(C(=O)CCC[NH2+][C@@H](C)c1ccccc1C)CC2 ZINC000180696911 821400411 /nfs/dbraw/zinc/40/04/11/821400411.db2.gz RXQUWTNYVBYQIR-SFHVURJKSA-N 1 0 396.531 4.028 20 0 GIADRO CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@H](C)c1cc(C)c(C(=O)OC)o1 ZINC000180697703 821401321 /nfs/dbraw/zinc/40/13/21/821401321.db2.gz HTPMTOQDUORQEN-QGZVFWFLSA-N 1 0 385.508 4.069 20 0 GIADRO COc1cc(C)c(NC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1OC ZINC000043405192 821402924 /nfs/dbraw/zinc/40/29/24/821402924.db2.gz UBCSMUMFICCMJB-INIZCTEOSA-N 1 0 389.521 4.032 20 0 GIADRO CCCOc1ccc(NC(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1OCCC ZINC000043415941 821404760 /nfs/dbraw/zinc/40/47/60/821404760.db2.gz BLILQSBKFPAJIY-UHFFFAOYSA-N 1 0 398.507 4.013 20 0 GIADRO CCOc1ccc(NC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cc1OCC ZINC000043416840 821405161 /nfs/dbraw/zinc/40/51/61/821405161.db2.gz SOGKTRZWPOVISA-UHFFFAOYSA-N 1 0 397.519 4.224 20 0 GIADRO O[C@@]1(C[NH2+][C@@H](c2ccccc2)c2cc(Br)ccc2F)CCSC1 ZINC000180702795 821405176 /nfs/dbraw/zinc/40/51/76/821405176.db2.gz JKGMIPZIFMSZHZ-ZWKOTPCHSA-N 1 0 396.325 4.135 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000180707002 821407760 /nfs/dbraw/zinc/40/77/60/821407760.db2.gz QWYKAHOCMKFYBO-ZDUSSCGKSA-N 1 0 384.867 4.242 20 0 GIADRO C[C@H]([NH2+]CCc1nc(-c2ccc(Cl)cc2)no1)c1ccc([S@](C)=O)cc1 ZINC000180707939 821408258 /nfs/dbraw/zinc/40/82/58/821408258.db2.gz KNNDPMMNVGXQGA-NRRJATNASA-N 1 0 389.908 4.021 20 0 GIADRO COc1ccc2c(c1)C[C@@H]([NH2+]CCc1nc(-c3ccc(Cl)cc3)no1)CC2 ZINC000180707820 821408383 /nfs/dbraw/zinc/40/83/83/821408383.db2.gz GXFMDFMSBCKBIA-SFHVURJKSA-N 1 0 383.879 4.088 20 0 GIADRO FC(F)(F)CN1CCC(CC[NH2+][C@@H](c2ccccc2)c2ccccn2)CC1 ZINC000180711013 821410038 /nfs/dbraw/zinc/41/00/38/821410038.db2.gz YCVYQQVSROTZME-FQEVSTJZSA-N 1 0 377.454 4.425 20 0 GIADRO Cc1ccc([C@@H]([NH2+][C@H]2CCCSC2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000180710069 821410063 /nfs/dbraw/zinc/41/00/63/821410063.db2.gz ZDNRPIYFIGJRPP-RXVVDRJESA-N 1 0 389.586 4.282 20 0 GIADRO CCOc1cccc([C@H](C)[NH2+]CC(=O)N[C@H](c2ccc(OC)cc2)C2CC2)c1 ZINC000180715926 821414316 /nfs/dbraw/zinc/41/43/16/821414316.db2.gz YIKQHIQJSHTXSK-HJPURHCSSA-N 1 0 382.504 4.012 20 0 GIADRO Cc1cc(N2CCCC2)ccc1NC(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000043495231 821417700 /nfs/dbraw/zinc/41/77/00/821417700.db2.gz HCCDKYYEJVSWAG-IBGZPJMESA-N 1 0 392.547 4.164 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2Cl)C1=O)c1cnn(Cc2ccccc2)c1 ZINC000180724413 821419118 /nfs/dbraw/zinc/41/91/18/821419118.db2.gz KACLSAMKBMXIFG-OXQOHEQNSA-N 1 0 394.906 4.041 20 0 GIADRO C[C@@H]([NH2+]CCCNC(=O)c1cccc(F)c1)c1cccc(-c2ccncc2)c1 ZINC000180728653 821421023 /nfs/dbraw/zinc/42/10/23/821421023.db2.gz KMXFSMDOBACOOK-QGZVFWFLSA-N 1 0 377.463 4.358 20 0 GIADRO COc1ccc([C@H](CNC(=O)Nc2cccc3cccnc32)[NH+]2CCCC2)cc1 ZINC000043529629 821423240 /nfs/dbraw/zinc/42/32/40/821423240.db2.gz IEQIYSBJRZUUSY-NRFANRHFSA-N 1 0 390.487 4.202 20 0 GIADRO C[C@H](NCC1([NH+]2CCCCC2)CCOCC1)c1nc(-c2ccccc2)cs1 ZINC000180739021 821426330 /nfs/dbraw/zinc/42/63/30/821426330.db2.gz IZMJRQIDWVLYMA-SFHVURJKSA-N 1 0 385.577 4.496 20 0 GIADRO CC[N@@H+]1CCC[C@H]1CNC(=S)N(Cc1ccncc1)[C@@H](C)c1ccccc1 ZINC000043563900 821427562 /nfs/dbraw/zinc/42/75/62/821427562.db2.gz WXWYSSXBJMLZMH-RXVVDRJESA-N 1 0 382.577 4.004 20 0 GIADRO Oc1ccc(F)cc1C[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000180741170 821428410 /nfs/dbraw/zinc/42/84/10/821428410.db2.gz SBXWPAUUAHLBSA-UHFFFAOYSA-N 1 0 380.257 4.089 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)N[C@@H](C)c2cc(C)sc2C)CC1 ZINC000043574560 821429078 /nfs/dbraw/zinc/42/90/78/821429078.db2.gz RDJGTTBOUSLCQG-INIZCTEOSA-N 1 0 386.565 4.390 20 0 GIADRO CCCN(C(=O)c1cccs1)C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000180749639 821433319 /nfs/dbraw/zinc/43/33/19/821433319.db2.gz OFJYINYBCPLPFW-UHFFFAOYSA-N 1 0 399.560 4.223 20 0 GIADRO COc1ccc([C@H]([NH2+]CCCO[C@@H]2CCOC2)c2ccccc2Cl)cc1 ZINC000180754139 821435456 /nfs/dbraw/zinc/43/54/56/821435456.db2.gz GLPQWBIKNPMSHQ-NQIIRXRSSA-N 1 0 375.896 4.223 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000043654305 821436714 /nfs/dbraw/zinc/43/67/14/821436714.db2.gz QSBCWHYKLFDLMC-KRWDZBQOSA-N 1 0 394.519 4.199 20 0 GIADRO c1cc(Oc2ccccc2)oc1C[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000180772814 821447353 /nfs/dbraw/zinc/44/73/53/821447353.db2.gz TYSSDJHDGXGUAY-UHFFFAOYSA-N 1 0 378.472 4.194 20 0 GIADRO Cc1cc([C@H]([NH2+]C[C@]2(CCO)CCOC2)c2ccccc2Cl)ccc1F ZINC000180775863 821449761 /nfs/dbraw/zinc/44/97/61/821449761.db2.gz JURUWPMCYLQPAY-SFTDATJTSA-N 1 0 377.887 4.256 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1ccccc1NC(=O)c1ccccc1)c1ccsc1 ZINC000043750016 821452484 /nfs/dbraw/zinc/45/24/84/821452484.db2.gz OTYISMNSZYUMQH-FQEVSTJZSA-N 1 0 393.512 4.033 20 0 GIADRO CC(C)c1ccc(CN(C)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)cc1 ZINC000043799559 821460006 /nfs/dbraw/zinc/46/00/06/821460006.db2.gz JQTVTBXHDDSHTC-UHFFFAOYSA-N 1 0 380.536 4.226 20 0 GIADRO CC[C@H]1c2ccsc2CCN1C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000043799097 821460079 /nfs/dbraw/zinc/46/00/79/821460079.db2.gz XIXZKOMMJCCGPV-SFHVURJKSA-N 1 0 384.549 4.041 20 0 GIADRO O=C(COc1ccccc1C(F)(F)F)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000043802299 821460782 /nfs/dbraw/zinc/46/07/82/821460782.db2.gz KEQJVACRPXFBJZ-INIZCTEOSA-N 1 0 396.409 4.021 20 0 GIADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@H](C)c1nc2ccccc2[nH]1 ZINC000043834692 821467703 /nfs/dbraw/zinc/46/77/03/821467703.db2.gz KSPITSMWESETFH-MRXNPFEDSA-N 1 0 399.564 4.239 20 0 GIADRO Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+]CCS(=O)(=O)C(C)(C)C ZINC000180806425 821468807 /nfs/dbraw/zinc/46/88/07/821468807.db2.gz SFOMITLDRUGGQH-GFCCVEGCSA-N 1 0 384.542 4.122 20 0 GIADRO CCOC(=O)CC[C@@H]1CCC[N@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000180807060 821470429 /nfs/dbraw/zinc/47/04/29/821470429.db2.gz STAWMCREUNKPRU-IBGZPJMESA-N 1 0 382.504 4.216 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCC[C@@H]1c1cccs1)c1ccc(-n2cccn2)cc1 ZINC000180817186 821477115 /nfs/dbraw/zinc/47/71/15/821477115.db2.gz ABGIELZTSPDGNO-FUHIMQAGSA-N 1 0 394.544 4.337 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)Nc1cccc(COCC2CC2)c1 ZINC000180819907 821479336 /nfs/dbraw/zinc/47/93/36/821479336.db2.gz LYFNNFIDOKAWPZ-UHFFFAOYSA-N 1 0 394.519 4.046 20 0 GIADRO O=C(Nc1ccccc1OC(F)(F)F)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000043879275 821483188 /nfs/dbraw/zinc/48/31/88/821483188.db2.gz LKOJDLINHBMSCD-UHFFFAOYSA-N 1 0 393.409 4.325 20 0 GIADRO Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000180830070 821484671 /nfs/dbraw/zinc/48/46/71/821484671.db2.gz JDXMNVVPKVIIMH-CQSZACIVSA-N 1 0 393.329 4.214 20 0 GIADRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccc(OCc3ccccc3Cl)c2)C1 ZINC000180829301 821484689 /nfs/dbraw/zinc/48/46/89/821484689.db2.gz WMMDFAJWIIYKMW-IBGZPJMESA-N 1 0 386.923 4.219 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)Nc1ccccc1OCC(F)(F)F ZINC000043959390 821495722 /nfs/dbraw/zinc/49/57/22/821495722.db2.gz HJNNHDZFGWWYKA-HNNXBMFYSA-N 1 0 397.397 4.179 20 0 GIADRO COc1cc([C@@H](C)[NH2+]CCc2nc3c(cccc3F)n2C)ccc1OC(F)F ZINC000180862594 821500274 /nfs/dbraw/zinc/50/02/74/821500274.db2.gz CYXTVCIVJCEBLC-GFCCVEGCSA-N 1 0 393.409 4.216 20 0 GIADRO C[C@@H](NC(=O)NCc1ccc(OC(F)(F)F)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180863887 821501089 /nfs/dbraw/zinc/50/10/89/821501089.db2.gz YZWOFTWCOSNARG-GDBMZVCRSA-N 1 0 399.457 4.037 20 0 GIADRO COc1cc(NC(=O)C[NH2+]C(C)(C)c2ccc(F)c(F)c2)c(OC)cc1Cl ZINC000180865418 821501538 /nfs/dbraw/zinc/50/15/38/821501538.db2.gz PSKSWRDLWLBXPV-UHFFFAOYSA-N 1 0 398.837 4.099 20 0 GIADRO Cc1ccc(-c2nnc([C@@H](C)[N@@H+]3CCC[C@H](c4nncn4C4CC4)C3)o2)cc1C ZINC000180874000 821506347 /nfs/dbraw/zinc/50/63/47/821506347.db2.gz XEVKJLKHQPRBHW-AEFFLSMTSA-N 1 0 392.507 4.220 20 0 GIADRO CC(C)CC(=O)Nc1ccc(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000044031633 821507862 /nfs/dbraw/zinc/50/78/62/821507862.db2.gz QTYFZYFZCKKCEY-LJQANCHMSA-N 1 0 398.507 4.223 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)NCC2([NH+]3CCCCC3)CCCCC2)cc1C ZINC000044048944 821511677 /nfs/dbraw/zinc/51/16/77/821511677.db2.gz GHQVIUQGNOKOIJ-UHFFFAOYSA-N 1 0 386.540 4.264 20 0 GIADRO C[C@H]([NH2+]CC(=O)NCc1cccc(Cl)c1)c1ccc(-c2ccncc2)cc1 ZINC000180889402 821516339 /nfs/dbraw/zinc/51/63/39/821516339.db2.gz NVXHXRIGCWDREU-INIZCTEOSA-N 1 0 379.891 4.369 20 0 GIADRO C[C@@H]([NH2+]CC(=O)NCc1cccc(Cl)c1)c1ccc(-c2ccncc2)cc1 ZINC000180889422 821517022 /nfs/dbraw/zinc/51/70/22/821517022.db2.gz NVXHXRIGCWDREU-MRXNPFEDSA-N 1 0 379.891 4.369 20 0 GIADRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(-c3ccncc3)cc2)cc1 ZINC000180898108 821522301 /nfs/dbraw/zinc/52/23/01/821522301.db2.gz VDOVHJHPIZPCRM-SJORKVTESA-N 1 0 375.472 4.435 20 0 GIADRO CC(C)[C@H]([NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)c1nc(C2CC2)no1 ZINC000180897073 821522505 /nfs/dbraw/zinc/52/25/05/821522505.db2.gz HIDCPBYIPMIJBG-GPANFISMSA-N 1 0 378.517 4.070 20 0 GIADRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(-c3ccncc3)cc2)cc1 ZINC000180898130 821522942 /nfs/dbraw/zinc/52/29/42/821522942.db2.gz VDOVHJHPIZPCRM-DLBZAZTESA-N 1 0 375.472 4.435 20 0 GIADRO C[C@@](O)(C[NH2+]C1CCN(Cc2ccccc2Cl)CC1)c1ccc(F)cc1F ZINC000180900216 821524326 /nfs/dbraw/zinc/52/43/26/821524326.db2.gz MVFNVEMHPLRKGU-OAQYLSRUSA-N 1 0 394.893 4.080 20 0 GIADRO CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]Cc1cccc(OCC(=O)OC)c1 ZINC000180910282 821531856 /nfs/dbraw/zinc/53/18/56/821531856.db2.gz SWFSJJQBSPUEHB-CQSZACIVSA-N 1 0 377.868 4.141 20 0 GIADRO Cc1cc(NC(=O)C[NH2+][C@@H](C)c2ccc(-c3ccncc3)cc2)n(C(C)(C)C)n1 ZINC000180921680 821539199 /nfs/dbraw/zinc/53/91/99/821539199.db2.gz SLNGRIGKIVFUBY-KRWDZBQOSA-N 1 0 391.519 4.298 20 0 GIADRO C[NH+](C)CCNC(=S)Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1 ZINC000044197033 821543725 /nfs/dbraw/zinc/54/37/25/821543725.db2.gz DOSXPJULZVDURN-UHFFFAOYSA-N 1 0 385.320 4.029 20 0 GIADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)N[C@H]1CCCOc2cc(F)ccc21 ZINC000180932348 821544940 /nfs/dbraw/zinc/54/49/40/821544940.db2.gz JEUOLHZJVBCUPJ-FQEVSTJZSA-N 1 0 389.515 4.136 20 0 GIADRO S=C(Nc1ccc2ccccc2c1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000044221984 821549587 /nfs/dbraw/zinc/54/95/87/821549587.db2.gz BNIBINSUIMNWGL-UHFFFAOYSA-N 1 0 376.529 4.186 20 0 GIADRO Cn1cc([C@@H]([NH2+]CCOc2ncc(Cl)cc2Cl)c2cccc(F)c2)cn1 ZINC000180946132 821551205 /nfs/dbraw/zinc/55/12/05/821551205.db2.gz YAUYWXGDKJGDKY-KRWDZBQOSA-N 1 0 395.265 4.019 20 0 GIADRO COc1ccc(NC(=O)C[C@H](C)[NH2+]CC(C)(C)Cc2ccccc2)c(OC)c1 ZINC000180955097 821554663 /nfs/dbraw/zinc/55/46/63/821554663.db2.gz QWRHUWUZUNCNGX-KRWDZBQOSA-N 1 0 384.520 4.279 20 0 GIADRO CCC(CC)n1nc(C)cc1C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000180955473 821554914 /nfs/dbraw/zinc/55/49/14/821554914.db2.gz IPNRYMICYAVXMW-UHFFFAOYSA-N 1 0 381.524 4.321 20 0 GIADRO CCc1nc2ccccc2n1C1CC[NH+]([C@@H](C(=O)N(C)C)c2ccccc2)CC1 ZINC000180963207 821559020 /nfs/dbraw/zinc/55/90/20/821559020.db2.gz DNMFDZVBKJZJNZ-HSZRJFAPSA-N 1 0 390.531 4.065 20 0 GIADRO CCc1nc2ccccc2n1C1CC[NH+](C[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC000180963015 821559127 /nfs/dbraw/zinc/55/91/27/821559127.db2.gz YLAHPVWSFLFGBH-NRFANRHFSA-N 1 0 385.458 4.247 20 0 GIADRO C[C@@H]([NH2+]C[C@H]1CN(c2ccccc2)C(=O)O1)c1ccc(OCC(F)(F)F)cc1 ZINC000180975665 821567977 /nfs/dbraw/zinc/56/79/77/821567977.db2.gz SHZMLUIIBRDPHX-KDOFPFPSSA-N 1 0 394.393 4.304 20 0 GIADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H](C)c2cc3cc(Cl)ccc3o2)c1 ZINC000180978778 821570122 /nfs/dbraw/zinc/57/01/22/821570122.db2.gz ACWTVEBWYJTFPI-CHWSQXEVSA-N 1 0 392.908 4.406 20 0 GIADRO CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000180979987 821570690 /nfs/dbraw/zinc/57/06/90/821570690.db2.gz ZBJCGQJGGNQCII-TYILLQQXSA-N 1 0 381.925 4.170 20 0 GIADRO CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+][C@@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000180981617 821572515 /nfs/dbraw/zinc/57/25/15/821572515.db2.gz HJIUQLPEXSCZGD-KSMMKXTCSA-N 1 0 396.940 4.138 20 0 GIADRO O=C(Nc1ccc(SC2CCCC2)cc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000044344870 821574386 /nfs/dbraw/zinc/57/43/86/821574386.db2.gz YMLWYQDMVZHXDG-UHFFFAOYSA-N 1 0 382.533 4.470 20 0 GIADRO COc1ccc([C@H]([NH2+]CC2(CO)CCOCC2)c2ccc(Cl)cc2)cc1C ZINC000180985173 821575370 /nfs/dbraw/zinc/57/53/70/821575370.db2.gz NXMAJBWHXLKPRX-OAQYLSRUSA-N 1 0 389.923 4.125 20 0 GIADRO OC[C@H]1CCC[N@@H+]1Cc1ccccc1CNCc1ccc(-c2ccc(F)cc2)o1 ZINC000180987090 821575761 /nfs/dbraw/zinc/57/57/61/821575761.db2.gz AVWLOTBDOIDLEN-JOCHJYFZSA-N 1 0 394.490 4.332 20 0 GIADRO OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CNCc1ccc(Oc2ccccc2)o1 ZINC000180988698 821577124 /nfs/dbraw/zinc/57/71/24/821577124.db2.gz OXBONKYIXREFQL-NRFANRHFSA-N 1 0 392.499 4.318 20 0 GIADRO C[C@H](CCO)[N@H+](CCC(=O)Nc1ccccc1C(F)(F)F)Cc1ccccc1 ZINC000180990697 821578311 /nfs/dbraw/zinc/57/83/11/821578311.db2.gz PARAXUFXWVNNIS-MRXNPFEDSA-N 1 0 394.437 4.307 20 0 GIADRO CCn1c2ccccc2nc1[C@@H](C)[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000180994660 821581611 /nfs/dbraw/zinc/58/16/11/821581611.db2.gz UEDKJICCGFXCTH-JKSUJKDBSA-N 1 0 378.476 4.425 20 0 GIADRO CCn1c2ccccc2nc1[C@@H](C)[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000180994699 821581756 /nfs/dbraw/zinc/58/17/56/821581756.db2.gz UEDKJICCGFXCTH-HZPDHXFCSA-N 1 0 378.476 4.425 20 0 GIADRO C[C@H]([NH2+]CCc1nc(C2CCCCC2)cs1)c1ccc(S(C)(=O)=O)cc1 ZINC000181015833 821594517 /nfs/dbraw/zinc/59/45/17/821594517.db2.gz ZAWOIDSHVXAOOL-HNNXBMFYSA-N 1 0 392.590 4.488 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)[C@H]2CCCN(c3nc4ccccc4s3)C2)c1 ZINC000044504037 821595516 /nfs/dbraw/zinc/59/55/16/821595516.db2.gz SOILKZRROABMPY-KRWDZBQOSA-N 1 0 394.544 4.213 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)CCc2ccc3[nH]ccc3c2)[C@@H]1c1cccs1 ZINC000181020121 821596625 /nfs/dbraw/zinc/59/66/25/821596625.db2.gz DAEXUVSDEJAHDD-PGRDOPGGSA-N 1 0 381.545 4.361 20 0 GIADRO O=C(NCC[NH+]1CCCCC1)c1ccccc1CSc1nc2ccccc2o1 ZINC000044525960 821600318 /nfs/dbraw/zinc/60/03/18/821600318.db2.gz YDCQZWHTXQUFAZ-UHFFFAOYSA-N 1 0 395.528 4.336 20 0 GIADRO CC(C)[C@H](CSc1ccccc1)[NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000181028155 821600648 /nfs/dbraw/zinc/60/06/48/821600648.db2.gz QSWHQPFCMDVAST-UNMCSNQZSA-N 1 0 382.573 4.442 20 0 GIADRO O=C(N[C@H]1CCCOc2cc(Cl)ccc21)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000181028179 821601417 /nfs/dbraw/zinc/60/14/17/821601417.db2.gz LJDUEMNDNKXKAY-HKUYNNGSSA-N 1 0 391.943 4.214 20 0 GIADRO Cn1cnc(-c2cccc(NC3CC[NH+](Cc4ccccc4Cl)CC3)c2)n1 ZINC000181045869 821609053 /nfs/dbraw/zinc/60/90/53/821609053.db2.gz MOTFYJXTYKHBNX-UHFFFAOYSA-N 1 0 381.911 4.212 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+][C@@H](Cc2ccccc2)C2CC2)c1 ZINC000181049047 821610501 /nfs/dbraw/zinc/61/05/01/821610501.db2.gz PNHXDNJTMGSFNF-UZLBHIALSA-N 1 0 382.504 4.032 20 0 GIADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)CCCc2ncc(-c3ccccc3)o2)C1 ZINC000044583360 821615488 /nfs/dbraw/zinc/61/54/88/821615488.db2.gz VRICCGBMBBCSQK-RTBURBONSA-N 1 0 383.536 4.149 20 0 GIADRO Cc1ccoc1C(=O)NCCC[NH2+][C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000181073043 821619173 /nfs/dbraw/zinc/61/91/73/821619173.db2.gz SPIWKPXNYNCSKD-HNNXBMFYSA-N 1 0 383.517 4.491 20 0 GIADRO Cc1ccc2c(c1)[C@@H](Nc1cccc(C[NH+]3CCC(C(N)=O)CC3)c1)[C@H](C)C2 ZINC000181081584 821623197 /nfs/dbraw/zinc/62/31/97/821623197.db2.gz UUDVDOFQZZIDAG-HXOBKFHXSA-N 1 0 377.532 4.038 20 0 GIADRO O[C@H](C[NH2+]C1CCN(CCc2ccccc2)CC1)c1c(Cl)cccc1Cl ZINC000181107420 821636475 /nfs/dbraw/zinc/63/64/75/821636475.db2.gz GZIXATZYVGWYOH-HXUWFJFHSA-N 1 0 393.358 4.324 20 0 GIADRO COc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H](O)c1c(Cl)cccc1Cl ZINC000181107365 821636497 /nfs/dbraw/zinc/63/64/97/821636497.db2.gz ANJLOHYUONPIOE-MLGOLLRUSA-N 1 0 397.302 4.042 20 0 GIADRO CCC[C@H]([NH2+]C1CCC(S(C)(=O)=O)CC1)c1cccc(C(F)(F)F)c1 ZINC000181113289 821640588 /nfs/dbraw/zinc/64/05/88/821640588.db2.gz JLYKSIVVRNARNY-JCYILVPMSA-N 1 0 377.472 4.492 20 0 GIADRO CCCC(=O)Nc1cccc(CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000044664156 821640536 /nfs/dbraw/zinc/64/05/36/821640536.db2.gz LCOIPUPTLLISFV-UHFFFAOYSA-N 1 0 393.531 4.341 20 0 GIADRO CC[C@H](CSc1ccc(Cl)cc1)[NH2+]C1CCC(S(C)(=O)=O)CC1 ZINC000181115791 821642079 /nfs/dbraw/zinc/64/20/79/821642079.db2.gz QGZAXNZKTHVXLW-HPUBIQBYSA-N 1 0 375.987 4.156 20 0 GIADRO FC(F)(F)c1ccn(C2CC[NH+](Cc3cc(-c4ccccc4)n[nH]3)CC2)n1 ZINC000181119434 821644918 /nfs/dbraw/zinc/64/49/18/821644918.db2.gz LFQCLIXSSKSACL-UHFFFAOYSA-N 1 0 375.398 4.129 20 0 GIADRO COc1ccccc1-c1ccc([C@@H](C)[NH2+]C2CCC(S(C)(=O)=O)CC2)cc1 ZINC000181119330 821645021 /nfs/dbraw/zinc/64/50/21/821645021.db2.gz NFTMQDZUUVERQF-PBPGXSGUSA-N 1 0 387.545 4.369 20 0 GIADRO Cc1ccc(-c2n[nH]cc2C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)cc1 ZINC000181124649 821648449 /nfs/dbraw/zinc/64/84/49/821648449.db2.gz JRKOMCDULLWSNI-UHFFFAOYSA-N 1 0 389.425 4.438 20 0 GIADRO Cn1cc([C@@H](Nc2cccc(C[NH+]3CCSCC3)c2)c2cccc(F)c2)cn1 ZINC000181130124 821651132 /nfs/dbraw/zinc/65/11/32/821651132.db2.gz RYKQFVMONCKZSV-QFIPXVFZSA-N 1 0 396.535 4.310 20 0 GIADRO C[C@H]([NH2+]C[C@@H]1CN(c2ccccc2)C(=O)O1)c1ccc(Br)cc1 ZINC000181132048 821652683 /nfs/dbraw/zinc/65/26/83/821652683.db2.gz BVAVQFBYJKQWFW-SUMWQHHRSA-N 1 0 375.266 4.125 20 0 GIADRO CCC(CC)n1nc(C)cc1C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000181147850 821663618 /nfs/dbraw/zinc/66/36/18/821663618.db2.gz XTGLFLQVSHYMMR-FQEVSTJZSA-N 1 0 382.552 4.147 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(N(C)C)cc1)c1ccc(OC(F)F)cc1 ZINC000044802795 821665160 /nfs/dbraw/zinc/66/51/60/821665160.db2.gz WNZNFVHRHSRNTB-KGLIPLIRSA-N 1 0 377.435 4.032 20 0 GIADRO C[C@@H]([NH2+]CCCN1C(=O)COc2ccccc21)[C@@H](C)c1nc2ccccc2s1 ZINC000181151177 821665429 /nfs/dbraw/zinc/66/54/29/821665429.db2.gz ULAMKXPTZWVROJ-HZPDHXFCSA-N 1 0 395.528 4.194 20 0 GIADRO C[C@H]([NH2+]CCCN1C(=O)COc2ccccc21)c1nc(-c2ccccc2)cs1 ZINC000181151920 821666305 /nfs/dbraw/zinc/66/63/05/821666305.db2.gz BEEGDUOFBKFQAQ-INIZCTEOSA-N 1 0 393.512 4.276 20 0 GIADRO CCC(CC)n1nc(C)cc1C(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000181152445 821666361 /nfs/dbraw/zinc/66/63/61/821666361.db2.gz YGGZLUKFXVGPDK-IBGZPJMESA-N 1 0 382.552 4.289 20 0 GIADRO COc1ccc2oc(C)c(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)c2c1 ZINC000044851021 821672222 /nfs/dbraw/zinc/67/22/22/821672222.db2.gz NNNGGIFOFMAXFA-UHFFFAOYSA-N 1 0 378.472 4.144 20 0 GIADRO CC[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(OC)c(OC)c1 ZINC000044856760 821673058 /nfs/dbraw/zinc/67/30/58/821673058.db2.gz BEWFGIVCMDZWJT-LEWJYISDSA-N 1 0 396.531 4.183 20 0 GIADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H](c2ccc(Cl)cc2)[C@H]2C[C@H]2C)c1 ZINC000181163999 821673746 /nfs/dbraw/zinc/67/37/46/821673746.db2.gz KEVJKWFLOCZKCH-BBNYVJOESA-N 1 0 392.952 4.296 20 0 GIADRO COc1ccc2oc(C)c(C(=O)NC[C@@H](c3cccs3)[NH+]3CCCC3)c2c1 ZINC000044875275 821675480 /nfs/dbraw/zinc/67/54/80/821675480.db2.gz CDSKIUBQHRASIS-KRWDZBQOSA-N 1 0 384.501 4.378 20 0 GIADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccc(-n2cc[nH]c2=S)cc1 ZINC000044875173 821675555 /nfs/dbraw/zinc/67/55/55/821675555.db2.gz BRJAUUJSNAZWRY-QGZVFWFLSA-N 1 0 398.557 4.163 20 0 GIADRO COc1ccc(O[C@H](C)C(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000044878942 821676222 /nfs/dbraw/zinc/67/62/22/821676222.db2.gz LQUFYUZMPDAYNZ-RBUKOAKNSA-N 1 0 396.531 4.011 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+][C@@H]1C[C@H](C)N(c2ccccc2)C1=O ZINC000181171889 821677093 /nfs/dbraw/zinc/67/70/93/821677093.db2.gz AHVPKTBJCFLNDW-YZVOILCLSA-N 1 0 392.528 4.358 20 0 GIADRO O=C(NCc1ccc(N2CCCCC2)cc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000044910557 821679567 /nfs/dbraw/zinc/67/95/67/821679567.db2.gz QOEVUOIUSZNELG-HSZRJFAPSA-N 1 0 391.559 4.205 20 0 GIADRO O=C(OCc1noc(-c2ccsc2)n1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000044926055 821681555 /nfs/dbraw/zinc/68/15/55/821681555.db2.gz UCAQNBPQIHHTTJ-UHFFFAOYSA-N 1 0 383.473 4.141 20 0 GIADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@@H](C)Oc1ccccc1Cl ZINC000181181671 821681538 /nfs/dbraw/zinc/68/15/38/821681538.db2.gz YFYJSHDRMBSNBI-CHWSQXEVSA-N 1 0 382.291 4.163 20 0 GIADRO Cc1cc2ncc([C@@H](C)[NH2+]Cc3ccc(OCC(F)(F)F)cc3)c(C)n2n1 ZINC000181192636 821688268 /nfs/dbraw/zinc/68/82/68/821688268.db2.gz DMFCZTNXDMQPAS-CYBMUJFWSA-N 1 0 378.398 4.138 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)C(F)(F)c1ccccc1 ZINC000045007151 821689554 /nfs/dbraw/zinc/68/95/54/821689554.db2.gz NHIIIUGGUCGGMQ-UHFFFAOYSA-N 1 0 378.850 4.213 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)c2ccc(NC(C)=O)c(SC)c2)c1 ZINC000045019544 821692169 /nfs/dbraw/zinc/69/21/69/821692169.db2.gz VJTKIQWEIYUNCH-UHFFFAOYSA-N 1 0 385.533 4.461 20 0 GIADRO CC[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)c1cc(C)ccc1OC ZINC000181202692 821694176 /nfs/dbraw/zinc/69/41/76/821694176.db2.gz BLEUXXLBOYGMHJ-OPYAIIAOSA-N 1 0 383.536 4.253 20 0 GIADRO C[C@H]([NH2+]C[C@@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1)c1nccs1 ZINC000181202870 821694696 /nfs/dbraw/zinc/69/46/96/821694696.db2.gz HYUKHPVUDXESHF-WWGRRREGSA-N 1 0 383.920 4.048 20 0 GIADRO COC(=O)c1oc([C@H](C)[NH+]2CCC(OCc3ccc(F)cc3)CC2)cc1C ZINC000181204725 821695491 /nfs/dbraw/zinc/69/54/91/821695491.db2.gz HNDCGUQPMSIDFW-HNNXBMFYSA-N 1 0 375.440 4.256 20 0 GIADRO Cc1c(O)ccc2c(C[NH2+][C@@H](C[C@@H]3CCOC3)c3ccccc3)cc(=O)oc12 ZINC000181209204 821698519 /nfs/dbraw/zinc/69/85/19/821698519.db2.gz APVNNBKITQBEHC-JXFKEZNVSA-N 1 0 379.456 4.065 20 0 GIADRO O=C(C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1)Nc1nc(-c2ccco2)cs1 ZINC000181216999 821702556 /nfs/dbraw/zinc/70/25/56/821702556.db2.gz URFMZTOMGMLJMK-WBVHZDCISA-N 1 0 397.500 4.099 20 0 GIADRO Cc1ccc(C[C@@H](C)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000181229560 821707990 /nfs/dbraw/zinc/70/79/90/821707990.db2.gz WMMSBIJOXUTSPL-GKBKNJALSA-N 1 0 376.544 4.485 20 0 GIADRO CN(Cc1ccc(Cl)s1)C(=O)C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000181232489 821709424 /nfs/dbraw/zinc/70/94/24/821709424.db2.gz MWDHNCYZUMRXNT-YJBOKZPZSA-N 1 0 392.952 4.117 20 0 GIADRO O=C(C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)Nc1ccc(F)cc1Cl ZINC000181236707 821712376 /nfs/dbraw/zinc/71/23/76/821712376.db2.gz ZEDPDUJEIHYGAS-IFXJQAMLSA-N 1 0 376.859 4.175 20 0 GIADRO CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000181237911 821712998 /nfs/dbraw/zinc/71/29/98/821712998.db2.gz IUVNPOLKECZOGA-KHYOSLBOSA-N 1 0 386.458 4.463 20 0 GIADRO C[S@@](=O)c1ccc(C[NH2+][C@@H]2CCCOc3cc(Br)ccc32)cc1 ZINC000181246014 821716453 /nfs/dbraw/zinc/71/64/53/821716453.db2.gz FFKKRVOJLPEKHV-UZUQRXQVSA-N 1 0 394.334 4.190 20 0 GIADRO Cc1c([C@@H](C)[NH2+]Cc2ccc([S@](C)=O)cc2)cnn1-c1cc(C)ccc1C ZINC000181248419 821717573 /nfs/dbraw/zinc/71/75/73/821717573.db2.gz DHWWDBDUTKVLOX-CRYYWNKWSA-N 1 0 381.545 4.386 20 0 GIADRO Cc1c([C@H](C)[NH2+]Cc2ccc([S@@](C)=O)cc2)cnn1-c1cc(C)ccc1C ZINC000181248477 821717607 /nfs/dbraw/zinc/71/76/07/821717607.db2.gz DHWWDBDUTKVLOX-CBZJRKILSA-N 1 0 381.545 4.386 20 0 GIADRO CCCN(Cc1nnc(C2CC2)n1C1CC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000181247793 821717746 /nfs/dbraw/zinc/71/77/46/821717746.db2.gz LAXHFOHQVBQJKP-QFIPXVFZSA-N 1 0 393.579 4.367 20 0 GIADRO COc1c(Br)cccc1C[NH2+][C@@H](C)c1ccccc1-n1cccn1 ZINC000181261547 821722964 /nfs/dbraw/zinc/72/29/64/821722964.db2.gz SZTWGFLZKKACGY-AWEZNQCLSA-N 1 0 386.293 4.494 20 0 GIADRO CC(C)c1ccccc1NC(=O)C[NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000181272315 821726838 /nfs/dbraw/zinc/72/68/38/821726838.db2.gz OFDAQJUNGSDHTP-MRXNPFEDSA-N 1 0 381.476 4.056 20 0 GIADRO COC(=O)c1cc2cc(C[NH2+][C@@H](C)c3ccc(N4CCOC4=O)cc3)ccc2o1 ZINC000181288092 821736526 /nfs/dbraw/zinc/73/65/26/821736526.db2.gz VOBJXZYTJFRMJP-AWEZNQCLSA-N 1 0 394.427 4.027 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCN(c2c(F)cccc2F)C1=O)c1ccc(-c2cccnc2)cc1 ZINC000181291473 821738506 /nfs/dbraw/zinc/73/85/06/821738506.db2.gz FKUDSJVOYSVWMR-QVKFZJNVSA-N 1 0 393.437 4.483 20 0 GIADRO CC1(CNC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)CC[NH2+]CC1 ZINC000181291609 821738584 /nfs/dbraw/zinc/73/85/84/821738584.db2.gz GCZVIMRFEBWAPB-UHFFFAOYSA-N 1 0 376.422 4.492 20 0 GIADRO CC[NH+](CC)CCSc1nnc(COc2ccccc2Cl)n1C1CC1 ZINC000181300250 821743453 /nfs/dbraw/zinc/74/34/53/821743453.db2.gz RYWSZEYPYJXMQU-UHFFFAOYSA-N 1 0 380.945 4.279 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1cccnc1 ZINC000181301593 821744019 /nfs/dbraw/zinc/74/40/19/821744019.db2.gz ZOSRDZWRAKXBNQ-GOSISDBHSA-N 1 0 397.482 4.224 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@H](C)c2c(C)nn(CC(F)(F)F)c2C)c(OC)c1 ZINC000181304015 821744496 /nfs/dbraw/zinc/74/44/96/821744496.db2.gz FRJMDCUEIUHEMX-NWDGAFQWSA-N 1 0 385.430 4.491 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000181305886 821745937 /nfs/dbraw/zinc/74/59/37/821745937.db2.gz XPUNTRBDZQUDFN-YZVOILCLSA-N 1 0 394.485 4.233 20 0 GIADRO CC(C)c1ccccc1NC(=O)C[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000181305670 821745954 /nfs/dbraw/zinc/74/59/54/821745954.db2.gz WMTRTMXMGHIORJ-MRXNPFEDSA-N 1 0 381.476 4.056 20 0 GIADRO Cc1cc2ncc([C@@H](C)[NH2+][C@@H](C)c3c(C)nn(CC(F)(F)F)c3C)c(C)n2n1 ZINC000181307000 821746295 /nfs/dbraw/zinc/74/62/95/821746295.db2.gz FNHOEJIMUISUPG-NEPJUHHUSA-N 1 0 394.445 4.134 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc(-c2cccnc2)cc1)C(=O)Nc1cccnc1Cl ZINC000181317812 821755380 /nfs/dbraw/zinc/75/53/80/821755380.db2.gz PPAOZFMREDRITG-HUUCEWRRSA-N 1 0 380.879 4.475 20 0 GIADRO COc1ccc(C)cc1NC(=O)C[NH2+][C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000181321597 821757332 /nfs/dbraw/zinc/75/73/32/821757332.db2.gz ACJJQJDHQXQQRF-QGZVFWFLSA-N 1 0 375.472 4.355 20 0 GIADRO CCOc1cccc(CNC(=O)C[NH2+][C@H](C)c2ccc(-c3cccnc3)cc2)c1 ZINC000181324107 821759521 /nfs/dbraw/zinc/75/95/21/821759521.db2.gz HLFTYHXZICDHEY-GOSISDBHSA-N 1 0 389.499 4.114 20 0 GIADRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)Cc2nc3ccccc3s2)cc1F ZINC000181344805 821775227 /nfs/dbraw/zinc/77/52/27/821775227.db2.gz BLSKHEROLGDMIZ-CABCVRRESA-N 1 0 385.508 4.442 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(SC(=O)N(C)C)cc1)c1ccc(N2CCCC2=O)cc1 ZINC000181348713 821778169 /nfs/dbraw/zinc/77/81/69/821778169.db2.gz OHBCJSOPTONWNZ-MRXNPFEDSA-N 1 0 397.544 4.438 20 0 GIADRO Cc1c([C@@H](C)[NH2+][C@@H]2CCc3n[nH]cc3C2)cnn1-c1ccc(Cl)cc1Cl ZINC000181356310 821784174 /nfs/dbraw/zinc/78/41/74/821784174.db2.gz SPLMVCZDDLWKKD-IAQYHMDHSA-N 1 0 390.318 4.419 20 0 GIADRO CCOc1ccc([C@@H](C)NC(=O)C[NH2+][C@H](C)c2ccc(C)c(F)c2)cc1OC ZINC000181358274 821785242 /nfs/dbraw/zinc/78/52/42/821785242.db2.gz VWSALZSGFDNHKC-HZPDHXFCSA-N 1 0 388.483 4.069 20 0 GIADRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)cc1F ZINC000181360797 821787280 /nfs/dbraw/zinc/78/72/80/821787280.db2.gz GBBDLMAVBGFROM-DNVCBOLYSA-N 1 0 395.434 4.349 20 0 GIADRO Cc1ccc2c(C[NH2+][C@@H](C)c3ccc(N4CCCC4=O)cc3)cc(=O)oc2c1 ZINC000181364100 821788958 /nfs/dbraw/zinc/78/89/58/821788958.db2.gz PMTCTKFJYHHSFM-INIZCTEOSA-N 1 0 376.456 4.079 20 0 GIADRO COc1ccccc1[C@H]([NH2+]C1CCN(C(=O)OCC(C)C)CC1)c1ccco1 ZINC000181363530 821789165 /nfs/dbraw/zinc/78/91/65/821789165.db2.gz JPZAPSZKDQQGLA-NRFANRHFSA-N 1 0 386.492 4.224 20 0 GIADRO O=C(c1ccccc1Cl)N1CCC([NH2+]Cc2nc(C3CC3)cs2)CC1 ZINC000181368577 821791628 /nfs/dbraw/zinc/79/16/28/821791628.db2.gz OEKTULBBTHLGEL-UHFFFAOYSA-N 1 0 375.925 4.068 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+]Cc2ccc(N3CCC(C)CC3)nc2)s1 ZINC000181382843 821797498 /nfs/dbraw/zinc/79/74/98/821797498.db2.gz HXTKVVVWXHJBBJ-MRXNPFEDSA-N 1 0 388.581 4.123 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+]Cc2cc(F)cc(Br)c2)s1 ZINC000181386395 821799346 /nfs/dbraw/zinc/79/93/46/821799346.db2.gz YAYDBFZBUGUHGA-JTQLQIEISA-N 1 0 387.318 4.393 20 0 GIADRO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181394535 821804571 /nfs/dbraw/zinc/80/45/71/821804571.db2.gz YOOJGIGLFKMPRM-HZPDHXFCSA-N 1 0 399.922 4.453 20 0 GIADRO CCc1nc2c(s1)[C@@H]([NH2+][C@@H](CO)c1cccc(Br)c1)CCC2 ZINC000181401133 821807340 /nfs/dbraw/zinc/80/73/40/821807340.db2.gz PGYGDZLOHVSEOX-ZFWWWQNUSA-N 1 0 381.339 4.169 20 0 GIADRO OC[C@@H]([NH2+][C@H]1CCSc2ccc(F)cc21)c1cccc(Br)c1 ZINC000181400516 821807427 /nfs/dbraw/zinc/80/74/27/821807427.db2.gz HMPZKSLZRSVYGG-JKSUJKDBSA-N 1 0 382.298 4.448 20 0 GIADRO Cc1cccc([C@@H](O)C[NH2+][C@H](C)CC(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000181404769 821808781 /nfs/dbraw/zinc/80/87/81/821808781.db2.gz MBJRAJPPKWYSLF-KDOFPFPSSA-N 1 0 380.410 4.054 20 0 GIADRO Cc1cccc([C@H](O)C[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)c1 ZINC000181406516 821809276 /nfs/dbraw/zinc/80/92/76/821809276.db2.gz LCOGTYRUNJLTRH-OAQYLSRUSA-N 1 0 376.903 4.075 20 0 GIADRO Nc1nc(C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2cccs2)nc2ccccc12 ZINC000181416975 821814878 /nfs/dbraw/zinc/81/48/78/821814878.db2.gz HSGADPJQPADHRX-QAPCUYQASA-N 1 0 382.533 4.142 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+][C@@H](C)c2cc(OC)c(OC)cc2F)s1 ZINC000181419288 821816172 /nfs/dbraw/zinc/81/61/72/821816172.db2.gz NZICBKZBYQNPRM-NWDGAFQWSA-N 1 0 382.501 4.209 20 0 GIADRO O[C@H](C[C@@H]1CCCCC[N@@H+]1Cc1nnc(C2CC2)n1C1CC1)c1ccccc1 ZINC000181421507 821818102 /nfs/dbraw/zinc/81/81/02/821818102.db2.gz LPKPEOAVXYPOOK-LEWJYISDSA-N 1 0 380.536 4.359 20 0 GIADRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](CCSC)c2nnc3ccccn32)C12CCCCC2 ZINC000181423156 821819051 /nfs/dbraw/zinc/81/90/51/821819051.db2.gz YFAKSEUGAMCKTQ-RCCFBDPRSA-N 1 0 388.581 4.241 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+][C@H]2CCN(c3cccc(Cl)c3)C2)s1 ZINC000181432094 821824026 /nfs/dbraw/zinc/82/40/26/821824026.db2.gz MMNLNVDEHHJCPS-BBRMVZONSA-N 1 0 379.957 4.223 20 0 GIADRO CSc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)cc1 ZINC000181438000 821826693 /nfs/dbraw/zinc/82/66/93/821826693.db2.gz KNMWPFFAKOBHMD-CVEARBPZSA-N 1 0 397.544 4.213 20 0 GIADRO Cc1cc(Cl)ccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181442367 821828490 /nfs/dbraw/zinc/82/84/90/821828490.db2.gz MAXOJTZGXFSDBB-CVEARBPZSA-N 1 0 399.922 4.453 20 0 GIADRO COC[C@H]([NH2+]C[C@@H](O)CO[C@@H](C)c1ccc(Cl)cc1)c1ccc(F)c(F)c1 ZINC000181445166 821829234 /nfs/dbraw/zinc/82/92/34/821829234.db2.gz NYQUWIIJHQWWRH-ZLXGRDSLSA-N 1 0 399.865 4.034 20 0 GIADRO COC[C@H]([NH2+]C[C@H](O)CO[C@H](C)c1ccc(Cl)cc1)c1ccc(F)c(F)c1 ZINC000181445224 821829552 /nfs/dbraw/zinc/82/95/52/821829552.db2.gz NYQUWIIJHQWWRH-VOWSPCBNSA-N 1 0 399.865 4.034 20 0 GIADRO COC[C@H]([NH2+]C[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1)c1ccc(F)c(F)c1 ZINC000181445205 821829576 /nfs/dbraw/zinc/82/95/76/821829576.db2.gz NYQUWIIJHQWWRH-ROOHIHILSA-N 1 0 399.865 4.034 20 0 GIADRO C[C@@H](NC(=O)c1cc(Br)ccc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181450272 821831164 /nfs/dbraw/zinc/83/11/64/821831164.db2.gz DJVZKXFZCGFRGH-CHWSQXEVSA-N 1 0 399.760 4.485 20 0 GIADRO Cc1oc(-c2cccs2)nc1CC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181451894 821832093 /nfs/dbraw/zinc/83/20/93/821832093.db2.gz ONRISTFWWKZFNI-GDBMZVCRSA-N 1 0 387.549 4.023 20 0 GIADRO Cc1nc(Cc2ccccc2)sc1C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181453373 821832332 /nfs/dbraw/zinc/83/23/32/821832332.db2.gz MCAZRFDIBDTSDO-APWZRJJASA-N 1 0 397.588 4.425 20 0 GIADRO Fc1cccc(Cl)c1CN1CCC([NH2+][C@@H]2CCO[C@]3(CCSC3)C2)CC1 ZINC000181455538 821833859 /nfs/dbraw/zinc/83/38/59/821833859.db2.gz DBMNCDRFKWMBGA-OXQOHEQNSA-N 1 0 398.975 4.088 20 0 GIADRO Brc1ccc(C[NH2+][C@H]2CCc3ccccc32)c(N2CCOCC2)c1 ZINC000181457849 821835038 /nfs/dbraw/zinc/83/50/38/821835038.db2.gz ZEZGHAGQHQBIRO-IBGZPJMESA-N 1 0 387.321 4.063 20 0 GIADRO CCCOc1ccc(C(F)(F)F)cc1NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000181464948 821838823 /nfs/dbraw/zinc/83/88/23/821838823.db2.gz JTADMTBUZLHSCA-OAHLLOKOSA-N 1 0 399.457 4.444 20 0 GIADRO CC[C@H]([NH2+]C1CCN(C(=O)C(C)C)CC1)c1cc(F)cc(Br)c1 ZINC000181466795 821839486 /nfs/dbraw/zinc/83/94/86/821839486.db2.gz LSEZLPRWHHCONX-KRWDZBQOSA-N 1 0 385.321 4.276 20 0 GIADRO COc1cc(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)ccc1OCC(C)C ZINC000181473998 821842310 /nfs/dbraw/zinc/84/23/10/821842310.db2.gz DGKCNVYLNFINCV-MJGOQNOKSA-N 1 0 388.552 4.113 20 0 GIADRO CCOc1cccc(CC[NH2+][C@H](C)c2ccc(OCc3nccn3C)cc2)c1 ZINC000181483530 821846428 /nfs/dbraw/zinc/84/64/28/821846428.db2.gz VBJOUOGZAUWZHE-GOSISDBHSA-N 1 0 379.504 4.291 20 0 GIADRO CCOc1cccc(CC[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)c1 ZINC000181483621 821846556 /nfs/dbraw/zinc/84/65/56/821846556.db2.gz WOCBSDFQXPWARP-UHFFFAOYSA-N 1 0 386.923 4.176 20 0 GIADRO C[C@@H](NC(=O)CCCOc1ccc(Cl)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181486255 821847826 /nfs/dbraw/zinc/84/78/26/821847826.db2.gz DARBMSUMBNWQOX-SJORKVTESA-N 1 0 378.944 4.268 20 0 GIADRO COc1ccc2cccc(CC(=O)N[C@@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)c2c1 ZINC000181505947 821857456 /nfs/dbraw/zinc/85/74/56/821857456.db2.gz TYKOXSRQMUIGFQ-PXNSSMCTSA-N 1 0 380.532 4.160 20 0 GIADRO Cc1ccc(Br)c(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000181505630 821857636 /nfs/dbraw/zinc/85/76/36/821857636.db2.gz FEKGOLIADTVMIQ-LSDHHAIUSA-N 1 0 379.342 4.140 20 0 GIADRO CN(C[C@H]1CCCC[C@@H]1O)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000181509301 821859978 /nfs/dbraw/zinc/85/99/78/821859978.db2.gz VNADPUNHVLSKOP-KNQAVFIVSA-N 1 0 387.568 4.466 20 0 GIADRO Cc1nc(C2CCCC2)sc1C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181513065 821862075 /nfs/dbraw/zinc/86/20/75/821862075.db2.gz IJRZKNAKJNCFSB-YOEHRIQHSA-N 1 0 375.582 4.492 20 0 GIADRO O=C1c2ccccc2C(=O)N1CCCCCC[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000181521976 821865497 /nfs/dbraw/zinc/86/54/97/821865497.db2.gz HHLCGFWOFLOMQE-NRFANRHFSA-N 1 0 377.488 4.075 20 0 GIADRO C[C@H](NC(=O)COc1ccc(Cl)cc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181524625 821865749 /nfs/dbraw/zinc/86/57/49/821865749.db2.gz YZLSQBUUFQLSMB-KBPBESRZSA-N 1 0 385.335 4.141 20 0 GIADRO Cc1ccc(-c2nc(C)c(C(=O)N[C@@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)s2)o1 ZINC000181528694 821867338 /nfs/dbraw/zinc/86/73/38/821867338.db2.gz HSMIOPLQHKWEDM-HOCLYGCPSA-N 1 0 387.549 4.403 20 0 GIADRO Cc1c(Br)cccc1C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181530913 821868747 /nfs/dbraw/zinc/86/87/47/821868747.db2.gz MJHZVKVBAUVFTJ-HUUCEWRRSA-N 1 0 379.342 4.140 20 0 GIADRO C[C@@H](NC(=O)c1cnc(Cc2ccccc2)s1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181531406 821869052 /nfs/dbraw/zinc/86/90/52/821869052.db2.gz FTZRNLRXIXRKRZ-SJLPKXTDSA-N 1 0 383.561 4.117 20 0 GIADRO CCN(CC)c1ncc(C[NH+]2CCC(OCc3ccc(F)cc3)CC2)s1 ZINC000181531521 821869156 /nfs/dbraw/zinc/86/91/56/821869156.db2.gz ZTQXFMZIHLZCSB-UHFFFAOYSA-N 1 0 377.529 4.310 20 0 GIADRO COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+]Cc1cccc2cnccc21 ZINC000181534968 821871299 /nfs/dbraw/zinc/87/12/99/821871299.db2.gz MIOZDERSIPHQHC-UHFFFAOYSA-N 1 0 383.879 4.324 20 0 GIADRO COc1cc(C)ccc1Oc1ccc(NC(=O)N2CCC[N@H+](C)CC2)cc1F ZINC000181538351 821872969 /nfs/dbraw/zinc/87/29/69/821872969.db2.gz YOCUFAZAPSHAIH-UHFFFAOYSA-N 1 0 387.455 4.104 20 0 GIADRO C[C@@H](CC(=O)NC1CC[NH+](C2CCCCC2)CC1)C(=O)c1ccc(Cl)cc1 ZINC000181539929 821873593 /nfs/dbraw/zinc/87/35/93/821873593.db2.gz GZPOOFXGHNOXTO-INIZCTEOSA-N 1 0 390.955 4.462 20 0 GIADRO COc1ccccc1COC1CC[NH+](Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000181550205 821877362 /nfs/dbraw/zinc/87/73/62/821877362.db2.gz RGWPWXPQMAOCCL-UHFFFAOYSA-N 1 0 395.478 4.406 20 0 GIADRO COc1ccccc1COC1CC[NH+](Cc2cn(-c3ccccc3)nc2C)CC1 ZINC000181552019 821878204 /nfs/dbraw/zinc/87/82/04/821878204.db2.gz YOZHDIQMHXHQEQ-UHFFFAOYSA-N 1 0 391.515 4.371 20 0 GIADRO C[C@@H]([NH2+]C[C@H](c1ccccc1)C(C)(C)CO)c1cnn(Cc2ccccc2)c1 ZINC000181553396 821878435 /nfs/dbraw/zinc/87/84/35/821878435.db2.gz SZLCPMNZKFFLDK-AUSIDOKSSA-N 1 0 377.532 4.384 20 0 GIADRO C[C@H]([NH2+]C[C@@H](c1ccccc1)C(C)(C)CO)c1cnn(Cc2ccccc2)c1 ZINC000181553347 821878744 /nfs/dbraw/zinc/87/87/44/821878744.db2.gz SZLCPMNZKFFLDK-CVDCTZTESA-N 1 0 377.532 4.384 20 0 GIADRO C[C@H]([NH2+]C[C@H](c1ccccc1)C(C)(C)CO)c1cnn(Cc2ccccc2)c1 ZINC000181553380 821878767 /nfs/dbraw/zinc/87/87/67/821878767.db2.gz SZLCPMNZKFFLDK-WMZHIEFXSA-N 1 0 377.532 4.384 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]C[C@@H](c2ccccc2)C(C)(C)CO)cc1NC(C)=O ZINC000181555344 821879821 /nfs/dbraw/zinc/87/98/21/821879821.db2.gz UZLCOMJVZABICD-UZLBHIALSA-N 1 0 384.520 4.107 20 0 GIADRO Cc1ccc([C@@H](NC(=O)C[NH2+][C@H](C)c2cccc(O)c2)c2cccs2)cc1 ZINC000181562605 821881895 /nfs/dbraw/zinc/88/18/95/821881895.db2.gz MHPAUGVEAYFGBL-OPAMFIHVSA-N 1 0 380.513 4.319 20 0 GIADRO O=C(CCN1CCO[C@@H](Cc2ccccc2)C1)Nc1c(Cl)cccc1Cl ZINC000181564934 821882821 /nfs/dbraw/zinc/88/28/21/821882821.db2.gz IZPBSCFEODBFAL-INIZCTEOSA-N 1 0 393.314 4.266 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N[C@@H](C)c1cccs1)c1ccc(OCC2CC2)c(F)c1 ZINC000181575248 821885840 /nfs/dbraw/zinc/88/58/40/821885840.db2.gz IXJRSYXCDRQWDP-KGLIPLIRSA-N 1 0 376.497 4.204 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cc1Cl)c1cccc(O)c1 ZINC000181582465 821888917 /nfs/dbraw/zinc/88/89/17/821888917.db2.gz LAFQPCOHZJCYAM-SNVBAGLBSA-N 1 0 383.673 4.097 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]Cc1cn(C)nc1C(F)(F)F ZINC000181583730 821889917 /nfs/dbraw/zinc/88/99/17/821889917.db2.gz PUGJTHZTOIWXRT-JTQLQIEISA-N 1 0 381.427 4.117 20 0 GIADRO O=c1cc(C[NH2+][C@H](Cc2cccc(F)c2)c2cccc(F)c2)nc2ccccn12 ZINC000181588992 821892454 /nfs/dbraw/zinc/89/24/54/821892454.db2.gz OALDQOSIMQYAKI-OAQYLSRUSA-N 1 0 391.421 4.046 20 0 GIADRO COc1cc(C)c([C@@H](C)[NH2+]C2CCN([C@@H](C)c3ccncc3)CC2)cc1OC ZINC000181593687 821894681 /nfs/dbraw/zinc/89/46/81/821894681.db2.gz HCCNQYKUMHQXGB-MSOLQXFVSA-N 1 0 383.536 4.283 20 0 GIADRO COCCCOc1cccc(C[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)c1 ZINC000181601860 821898358 /nfs/dbraw/zinc/89/83/58/821898358.db2.gz WVCMXMZFRGRZER-SFHVURJKSA-N 1 0 382.504 4.080 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]C2CCN(C(=O)CC(C)C)CC2)c(Br)c1 ZINC000181620207 821906831 /nfs/dbraw/zinc/90/68/31/821906831.db2.gz PULDOCKVLIRKFU-CQSZACIVSA-N 1 0 397.357 4.145 20 0 GIADRO Cc1noc(C)c1[C@H](C)C[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000181627410 821911351 /nfs/dbraw/zinc/91/13/51/821911351.db2.gz KIWDDLOZDRVVER-VXGBXAGGSA-N 1 0 394.313 4.164 20 0 GIADRO O=C(Nc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1)c1ccc(F)cc1 ZINC000181637627 821916206 /nfs/dbraw/zinc/91/62/06/821916206.db2.gz AFPUHVQNDOWGJE-NJYVYQBISA-N 1 0 380.463 4.125 20 0 GIADRO C[C@H](NC(=O)c1ccc(OCc2ccccc2)nc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181659160 821927490 /nfs/dbraw/zinc/92/74/90/821927490.db2.gz GQEPEWIEFLZLTE-GHTZIAJQSA-N 1 0 393.531 4.043 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CCCc2nc(C(C)C)no2)c(Br)c1 ZINC000181666225 821932634 /nfs/dbraw/zinc/93/26/34/821932634.db2.gz JFPJDEOGVTXAMQ-LBPRGKRZSA-N 1 0 382.302 4.248 20 0 GIADRO C[C@@H](NC(=O)CCCc1ncc(-c2ccccc2)o1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181665979 821932690 /nfs/dbraw/zinc/93/26/90/821932690.db2.gz OZYKUWXEMCQGTB-QUCCMNQESA-N 1 0 395.547 4.434 20 0 GIADRO CC[C@H](CSc1ccccc1)[NH2+][C@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000181667396 821933480 /nfs/dbraw/zinc/93/34/80/821933480.db2.gz LIZCTYUJQNTNIF-NVXWUHKLSA-N 1 0 378.563 4.280 20 0 GIADRO C[C@@H](NC(=O)c1cccnc1SC(F)(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181670132 821935770 /nfs/dbraw/zinc/93/57/70/821935770.db2.gz AKHUSRSQJZROKV-OLZOCXBDSA-N 1 0 387.471 4.076 20 0 GIADRO CN(C)C(=O)N1CCC([NH2+]C[C@H]2CC3c4ccccc4C2c2ccccc23)CC1 ZINC000181671018 821936328 /nfs/dbraw/zinc/93/63/28/821936328.db2.gz MHRZNNSMMHGITR-ZPSAWSNLSA-N 1 0 389.543 4.019 20 0 GIADRO COC(=O)c1ccc(C[NH2+][C@H](C)c2cccc(OC(F)(F)F)c2)cc1OC ZINC000181687312 821944423 /nfs/dbraw/zinc/94/44/23/821944423.db2.gz OUFBNLGHDRXCST-GFCCVEGCSA-N 1 0 383.366 4.231 20 0 GIADRO C[C@H]1CO[C@H](c2ccccc2Cl)CN1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000181698488 821948466 /nfs/dbraw/zinc/94/84/66/821948466.db2.gz DMHFFMGAJONNGC-JXFKEZNVSA-N 1 0 392.971 4.387 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(c2ccccn2)C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000181701913 821949954 /nfs/dbraw/zinc/94/99/54/821949954.db2.gz AEXYVZQVJAKWPB-QWHCGFSZSA-N 1 0 399.388 4.214 20 0 GIADRO CCc1nn(C)c(CC)c1C[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000181726011 821963022 /nfs/dbraw/zinc/96/30/22/821963022.db2.gz RCFYMALDXFYBNK-UHFFFAOYSA-N 1 0 392.950 4.092 20 0 GIADRO CCCCC[C@@H]([NH2+]CC(=O)Nc1ccc(C(=O)N(C)C)cc1)c1ccccc1 ZINC000181743617 821972559 /nfs/dbraw/zinc/97/25/59/821972559.db2.gz DAMXPHIENWRKPT-OAQYLSRUSA-N 1 0 381.520 4.238 20 0 GIADRO CC(C)(C)C(=O)N1CCC(C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)CC1 ZINC000181749506 821975408 /nfs/dbraw/zinc/97/54/08/821975408.db2.gz VHBYMIALXAVRQS-GOSISDBHSA-N 1 0 383.536 4.292 20 0 GIADRO CCOc1ccc(Cl)cc1CC[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000181756436 821978307 /nfs/dbraw/zinc/97/83/07/821978307.db2.gz NNHPOLBXZLUGJE-ZDUSSCGKSA-N 1 0 399.915 4.175 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(OC(F)F)cc1)c1cc2ccccc2o1 ZINC000181765047 821983169 /nfs/dbraw/zinc/98/31/69/821983169.db2.gz GSHIBEBQESROTN-CQSZACIVSA-N 1 0 388.414 4.343 20 0 GIADRO CC(C)Cn1cc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)cn1 ZINC000181784654 821990647 /nfs/dbraw/zinc/99/06/47/821990647.db2.gz IKWWPDRWLQKKNT-UHFFFAOYSA-N 1 0 386.503 4.077 20 0 GIADRO C[C@@](O)(C[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1)c1ccc(F)cc1 ZINC000181794358 821995240 /nfs/dbraw/zinc/99/52/40/821995240.db2.gz KQNGUWUWDJDTLL-OAQYLSRUSA-N 1 0 394.893 4.080 20 0 GIADRO CCOc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000181816768 822004526 /nfs/dbraw/zinc/00/45/26/822004526.db2.gz KMVWKJYISRKTJW-FUHWJXTLSA-N 1 0 386.923 4.438 20 0 GIADRO C[C@@H]([NH2+]C[C@H](C)c1nc(-c2ccccc2)no1)c1ccc(N2CCCC2=O)cc1 ZINC000181846820 822015921 /nfs/dbraw/zinc/01/59/21/822015921.db2.gz WAEOFZMBGARLQV-DLBZAZTESA-N 1 0 390.487 4.318 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1ccc(N2CCCC2)cc1)c1cccc(N2CCCC2)c1 ZINC000181856830 822018124 /nfs/dbraw/zinc/01/81/24/822018124.db2.gz SGNVKEPVWFVKKZ-IBGZPJMESA-N 1 0 392.547 4.176 20 0 GIADRO C[C@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1cc2cc(Cl)ccc2o1 ZINC000181859415 822018795 /nfs/dbraw/zinc/01/87/95/822018795.db2.gz IZTBKXOVTOVKPX-ZDUSSCGKSA-N 1 0 377.893 4.482 20 0 GIADRO CC[C@@H](NC(=O)NCC[C@@H](C)[NH+]1CCCCC1)c1nc(C(F)(F)F)cs1 ZINC000181881327 822024793 /nfs/dbraw/zinc/02/47/93/822024793.db2.gz HKSDEBRGZDPHGO-CHWSQXEVSA-N 1 0 392.491 4.177 20 0 GIADRO CC(C)N(CC[NH+](C)C)C(=O)Nc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1 ZINC000181892250 822028652 /nfs/dbraw/zinc/02/86/52/822028652.db2.gz SIJQXZXLOGKSBT-INIZCTEOSA-N 1 0 392.544 4.076 20 0 GIADRO C[C@H]([NH2+]C1(CNC(=O)c2cccn2C2CCCC2)CCOCC1)c1ccccc1 ZINC000181899251 822030641 /nfs/dbraw/zinc/03/06/41/822030641.db2.gz UWKOKTOGAJWBST-IBGZPJMESA-N 1 0 395.547 4.233 20 0 GIADRO Cc1sc(NC(=O)C[NH2+][C@@H](C)c2cccc(OC(F)(F)F)c2)c(C#N)c1C ZINC000181906458 822033128 /nfs/dbraw/zinc/03/31/28/822033128.db2.gz VETKZADTSCPOAZ-NSHDSACASA-N 1 0 397.422 4.425 20 0 GIADRO CC(=O)c1ccc(NC(=O)C[NH2+][C@H](C)c2cccc(OC(F)(F)F)c2)cc1 ZINC000181908208 822033867 /nfs/dbraw/zinc/03/38/67/822033867.db2.gz OKPSTHCVVHSTPA-GFCCVEGCSA-N 1 0 380.366 4.077 20 0 GIADRO CC(C)[C@@H]([NH2+]Cc1ccc(N2CCO[C@H](C)C2)nc1)c1ccc(F)c(F)c1 ZINC000181951450 822043724 /nfs/dbraw/zinc/04/37/24/822043724.db2.gz NKUBBVVYQBUCHF-QVKFZJNVSA-N 1 0 375.463 4.072 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(C(F)(F)F)cc1Cl ZINC000181968849 822048908 /nfs/dbraw/zinc/04/89/08/822048908.db2.gz ZZURIZXHPRVCQM-UHFFFAOYSA-N 1 0 397.828 4.400 20 0 GIADRO Cc1cc(NC(=O)C[NH2+][C@H](c2cccc(C(F)(F)F)c2)C(C)(C)C)n(C)n1 ZINC000181974819 822049624 /nfs/dbraw/zinc/04/96/24/822049624.db2.gz XKEUCODWIXLUHH-QGZVFWFLSA-N 1 0 382.430 4.063 20 0 GIADRO CCn1cc(C(=O)Nc2ccc(C)cc2C[NH+](C)C)c(=O)c2cc(Cl)ccc21 ZINC000181976403 822050400 /nfs/dbraw/zinc/05/04/00/822050400.db2.gz WWNZZBGBPANRAR-UHFFFAOYSA-N 1 0 397.906 4.297 20 0 GIADRO O=C(Nc1cccc(C[NH2+][C@@H]2CCCOc3cc(F)ccc32)c1)c1ccncc1 ZINC000181976904 822050788 /nfs/dbraw/zinc/05/07/88/822050788.db2.gz LTUCXLCFQCQNGH-OAQYLSRUSA-N 1 0 391.446 4.477 20 0 GIADRO Cc1cc(N2CC[C@@H]([NH2+][C@H](C)c3cc4c(ccc5ccccc45)o3)C2=O)n(C)n1 ZINC000181997060 822057798 /nfs/dbraw/zinc/05/77/98/822057798.db2.gz RPCIIYQEBSFNGJ-DNVCBOLYSA-N 1 0 388.471 4.084 20 0 GIADRO Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000182013311 822062760 /nfs/dbraw/zinc/06/27/60/822062760.db2.gz GGRMGGJTLXDZLK-AWEZNQCLSA-N 1 0 396.466 4.034 20 0 GIADRO O=C(Nc1ccc(Cl)c(Br)c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000182023853 822065775 /nfs/dbraw/zinc/06/57/75/822065775.db2.gz AYYRBCDSFOWCKA-GFCCVEGCSA-N 1 0 386.721 4.052 20 0 GIADRO CC(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccc(NC(=O)c3cccnc3)cc2)cc1 ZINC000182037849 822070171 /nfs/dbraw/zinc/07/01/71/822070171.db2.gz KBPLRWWMXONNQT-INIZCTEOSA-N 1 0 388.471 4.143 20 0 GIADRO CCC(CC)n1nc(C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)cc1C ZINC000182054098 822076085 /nfs/dbraw/zinc/07/60/85/822076085.db2.gz ORVLSQLXXJSSOI-UHFFFAOYSA-N 1 0 398.551 4.009 20 0 GIADRO Cc1ccc(-c2cnc(CCC(=O)N[C@H](C)C[N@H+](C)Cc3ccccc3)o2)cc1 ZINC000182076382 822083385 /nfs/dbraw/zinc/08/33/85/822083385.db2.gz RRYBBESJPHVSKY-LJQANCHMSA-N 1 0 391.515 4.219 20 0 GIADRO CC(C)Sc1ccc([C@H](C)[NH2+]Cc2cccc(S(=O)(=O)N(C)C)c2)cc1 ZINC000182104302 822095168 /nfs/dbraw/zinc/09/51/68/822095168.db2.gz KBLSFPPKHKLCAG-INIZCTEOSA-N 1 0 392.590 4.288 20 0 GIADRO CCSc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2N2CCCC2=O)cc1 ZINC000182131278 822109247 /nfs/dbraw/zinc/10/92/47/822109247.db2.gz IHBFAKJDOHOFBU-MRXNPFEDSA-N 1 0 397.544 4.215 20 0 GIADRO CC(=O)Nc1ccc([C@@H](C)[NH2+]CCCc2nc(-c3ccncc3)cs2)cc1 ZINC000182137321 822112129 /nfs/dbraw/zinc/11/21/29/822112129.db2.gz CWQUCQOKOBSZDH-OAHLLOKOSA-N 1 0 380.517 4.447 20 0 GIADRO CC(C)c1ccc(C2(O)CCC([NH2+]CCCOC3CCOCC3)CC2)cc1 ZINC000182143658 822115649 /nfs/dbraw/zinc/11/56/49/822115649.db2.gz ACEVMHWMPUPPNS-UHFFFAOYSA-N 1 0 375.553 4.116 20 0 GIADRO CC[C@](C)([NH2+]C[C@@H](O)COc1ccccc1C(F)(F)F)c1nc(C)cs1 ZINC000182193621 822140991 /nfs/dbraw/zinc/14/09/91/822140991.db2.gz KWMSJLKOTLVNSX-DYVFJYSZSA-N 1 0 388.455 4.125 20 0 GIADRO CCCOc1ccc(CN(Cc2ccccc2)C(=O)NC2CC[NH+](C)CC2)cc1 ZINC000182204387 822146027 /nfs/dbraw/zinc/14/60/27/822146027.db2.gz KTRKICQMMUZNDN-UHFFFAOYSA-N 1 0 395.547 4.281 20 0 GIADRO C[C@H](CCNC(=O)Cc1csc(-c2ccccc2Cl)n1)[NH+]1CCCCC1 ZINC000182246904 822165650 /nfs/dbraw/zinc/16/56/50/822165650.db2.gz KPMJVVNONOCFNA-OAHLLOKOSA-N 1 0 391.968 4.387 20 0 GIADRO O=C(c1cccc(Cl)c1)N1CCC[N@H+](CCCOCc2ccccc2)CC1 ZINC000182261358 822174404 /nfs/dbraw/zinc/17/44/04/822174404.db2.gz AKPMTQSAKAVEAA-UHFFFAOYSA-N 1 0 386.923 4.095 20 0 GIADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](c2ccc(Cl)cc2F)C(C)C)cc1 ZINC000182275524 822182654 /nfs/dbraw/zinc/18/26/54/822182654.db2.gz UDHZFCPMXADMSP-DJJJIMSYSA-N 1 0 398.931 4.435 20 0 GIADRO Cc1ccc(N[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1N1CCOC1=O ZINC000182277867 822183798 /nfs/dbraw/zinc/18/37/98/822183798.db2.gz KTMZQCLXCVTKHR-KRWDZBQOSA-N 1 0 383.492 4.065 20 0 GIADRO Cc1ccc(N[C@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1N1CCOC1=O ZINC000182277883 822183935 /nfs/dbraw/zinc/18/39/35/822183935.db2.gz KTMZQCLXCVTKHR-QGZVFWFLSA-N 1 0 383.492 4.065 20 0 GIADRO CCOc1ccc(-c2nc(C[NH2+][C@@H](CC)[C@H]3CCCO3)cs2)cc1OC ZINC000182309210 822197747 /nfs/dbraw/zinc/19/77/47/822197747.db2.gz FNAMVMBGGYRQKS-DLBZAZTESA-N 1 0 376.522 4.265 20 0 GIADRO COc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@H](C)c2ccc(C)cc2)c(OC)c1 ZINC000182348929 822210297 /nfs/dbraw/zinc/21/02/97/822210297.db2.gz VHGIEVMWCRZCQF-UTKZUKDTSA-N 1 0 382.504 4.027 20 0 GIADRO Cc1ccc(C(=O)CCC(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)cc1 ZINC000182354388 822212330 /nfs/dbraw/zinc/21/23/30/822212330.db2.gz MFLUFSAVOFSAGU-UHFFFAOYSA-N 1 0 393.531 4.127 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H]3C[C@H]3c3c(F)cccc3F)cc2)CC1 ZINC000182359742 822214597 /nfs/dbraw/zinc/21/45/97/822214597.db2.gz NNLQVHURABEVEB-MOPGFXCFSA-N 1 0 399.485 4.237 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)Cc3c[nH]c4ccc(F)cc34)cc2)CC1 ZINC000182362412 822215807 /nfs/dbraw/zinc/21/58/07/822215807.db2.gz APAVTKICXBQDLQ-UHFFFAOYSA-N 1 0 394.494 4.019 20 0 GIADRO Cc1ccc(OCCC(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)c(C)c1 ZINC000182371990 822218964 /nfs/dbraw/zinc/21/89/64/822218964.db2.gz JTOIJGSAOPKYSL-UHFFFAOYSA-N 1 0 395.547 4.241 20 0 GIADRO CC1(C)[C@H]([NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)C[C@@H]1OCc1ccccc1 ZINC000182396155 822228257 /nfs/dbraw/zinc/22/82/57/822228257.db2.gz ZJZUZMKUCKDXRW-ZRBLBEILSA-N 1 0 392.543 4.009 20 0 GIADRO COc1ccc([C@H](CCO)[NH2+]Cc2cccc(C(=O)Nc3ccccc3)c2)cc1 ZINC000182400293 822230102 /nfs/dbraw/zinc/23/01/02/822230102.db2.gz HFBBYVAAOPWKAI-QHCPKHFHSA-N 1 0 390.483 4.161 20 0 GIADRO CC(C)Oc1cccc([C@H](C)NC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000182404007 822231667 /nfs/dbraw/zinc/23/16/67/822231667.db2.gz BTKDDNIIQIZDSG-NLWGTHIKSA-N 1 0 387.568 4.487 20 0 GIADRO COc1ccc(NC(=O)CC[NH2+][C@H](CC(F)(F)F)c2ccc(F)cc2)cc1 ZINC000182405403 822232056 /nfs/dbraw/zinc/23/20/56/822232056.db2.gz HTQQGUNEGHBBQU-QGZVFWFLSA-N 1 0 384.373 4.446 20 0 GIADRO C[C@@H](NCC1(C[NH2+][C@H](C)c2ccc(F)cc2F)COC1)c1ccc(F)cc1F ZINC000182418793 822235662 /nfs/dbraw/zinc/23/56/62/822235662.db2.gz UQRAIEKLIFUXIZ-ZIAGYGMSSA-N 1 0 396.428 4.261 20 0 GIADRO COc1ccc(O)c([C@H](C)[NH2+]Cc2c(C)nn(Cc3ccccc3)c2Cl)c1 ZINC000182447170 822245875 /nfs/dbraw/zinc/24/58/75/822245875.db2.gz LYWSDCYLFKPKOX-AWEZNQCLSA-N 1 0 385.895 4.458 20 0 GIADRO CC[C@@H]([NH2+]C[C@H](c1ccccc1)N1CCc2sccc2C1)c1nccn1C ZINC000182451774 822247531 /nfs/dbraw/zinc/24/75/31/822247531.db2.gz NCLSYXOFGLEGRO-WOJBJXKFSA-N 1 0 380.561 4.322 20 0 GIADRO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@H+]1C[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000182470124 822255390 /nfs/dbraw/zinc/25/53/90/822255390.db2.gz BRCYSDOQAQDVGL-DQLDELGASA-N 1 0 380.536 4.247 20 0 GIADRO COc1ccc(OC)c(CC[NH2+][C@H](C)c2sc(-c3cccnc3)nc2C)c1 ZINC000177956572 822257016 /nfs/dbraw/zinc/25/70/16/822257016.db2.gz MKICSQPQBNISCO-CQSZACIVSA-N 1 0 383.517 4.424 20 0 GIADRO COc1ccc(C[C@@H](C)[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)cc1OC ZINC000177965304 822261028 /nfs/dbraw/zinc/26/10/28/822261028.db2.gz SAXAMJYCAYMZIQ-HKYQFSCDSA-N 1 0 394.515 4.057 20 0 GIADRO O=C(Nc1ccc(F)cc1)NC1CC[NH+](CCCOCc2ccccc2)CC1 ZINC000182489603 822264295 /nfs/dbraw/zinc/26/42/95/822264295.db2.gz VSXUSSHMXWMVHI-UHFFFAOYSA-N 1 0 385.483 4.019 20 0 GIADRO COc1cc([C@H](C)[NH2+]Cc2cccc(CN3CCCC3=O)c2)ccc1SC ZINC000177995181 822274833 /nfs/dbraw/zinc/27/48/33/822274833.db2.gz QAGPAOBVGMIISR-INIZCTEOSA-N 1 0 384.545 4.390 20 0 GIADRO CC(C)(C)OC(=O)CCCC[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182513334 822276835 /nfs/dbraw/zinc/27/68/35/822276835.db2.gz LOAPHIYBQVUCSE-CQSZACIVSA-N 1 0 375.435 4.051 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2C)C1 ZINC000178013209 822282534 /nfs/dbraw/zinc/28/25/34/822282534.db2.gz PXWNBFAXGXMMDY-SFHVURJKSA-N 1 0 394.519 4.053 20 0 GIADRO CCc1cccc(Oc2ccc(NC(=O)N3CC[C@H](C[N@@H+](C)CC)C3)cn2)c1 ZINC000178014820 822283279 /nfs/dbraw/zinc/28/32/79/822283279.db2.gz ZLYMPHQTNPRBKB-GOSISDBHSA-N 1 0 382.508 4.242 20 0 GIADRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CCNC(=O)c3ccccc3)s2)cc1 ZINC000178023013 822286926 /nfs/dbraw/zinc/28/69/26/822286926.db2.gz WCYGSDICRQUAOL-HNNXBMFYSA-N 1 0 395.528 4.208 20 0 GIADRO CCN(c1ccc(NC(=O)C[NH2+][C@@H](C)c2cccc(NC(C)=O)c2)cc1)C(C)C ZINC000182534840 822287737 /nfs/dbraw/zinc/28/77/37/822287737.db2.gz ATHFHGZWGHVJRS-KRWDZBQOSA-N 1 0 396.535 4.169 20 0 GIADRO CC[C@@H]([NH2+][C@H]1CCSc2ccccc21)c1ccccc1OCC(=O)N(C)C ZINC000178027946 822289568 /nfs/dbraw/zinc/28/95/68/822289568.db2.gz LKKLCIPHSYVNQF-MOPGFXCFSA-N 1 0 384.545 4.431 20 0 GIADRO CCN(C(=O)C[NH2+][C@@H](C)c1cccc(NC(C)=O)c1)[C@@H](C)c1ccc(F)cc1 ZINC000182550923 822297643 /nfs/dbraw/zinc/29/76/43/822297643.db2.gz LTHYCPUEVGRZDC-HOTGVXAUSA-N 1 0 385.483 4.044 20 0 GIADRO CCN(CC)C(=O)CCC1CC[NH+](Cc2nc3cc(F)ccc3n2CC)CC1 ZINC000182551826 822298160 /nfs/dbraw/zinc/29/81/60/822298160.db2.gz HPYZQAAJWUQHHN-UHFFFAOYSA-N 1 0 388.531 4.056 20 0 GIADRO C[C@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000178051085 822300679 /nfs/dbraw/zinc/30/06/79/822300679.db2.gz RAVMPVUJQNYLIM-INIZCTEOSA-N 1 0 389.434 4.445 20 0 GIADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc(NC(=O)OC)c(F)c2)C1 ZINC000182560033 822302256 /nfs/dbraw/zinc/30/22/56/822302256.db2.gz AAZWQGSVHUJLJO-CQSZACIVSA-N 1 0 394.491 4.026 20 0 GIADRO CCNC(=O)c1ccc(C[NH2+][C@@H](C)c2cc(Br)ccc2F)cc1 ZINC000178064183 822306033 /nfs/dbraw/zinc/30/60/33/822306033.db2.gz SKMVLSRPTFXYBO-LBPRGKRZSA-N 1 0 379.273 4.189 20 0 GIADRO C[C@@H]([NH2+]CCC(=O)NC1CCCC1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000182567245 822306286 /nfs/dbraw/zinc/30/62/86/822306286.db2.gz LEIVLZKYCBACPG-QGZVFWFLSA-N 1 0 379.504 4.038 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)N2CCCCC[C@H]2c2c(C)n[nH]c2C)c1 ZINC000182570372 822307272 /nfs/dbraw/zinc/30/72/72/822307272.db2.gz AFCXDUFQNNVUHR-NRFANRHFSA-N 1 0 397.567 4.305 20 0 GIADRO CCN(CC)C(=O)CCC1CC[NH+](CCC(=O)Nc2ccccc2Cl)CC1 ZINC000182576334 822309563 /nfs/dbraw/zinc/30/95/63/822309563.db2.gz FXTPFLXQCQULIK-UHFFFAOYSA-N 1 0 393.959 4.029 20 0 GIADRO CC(C)CC(=O)N1CCC([NH2+][C@H](C)c2cc(Br)ccc2F)CC1 ZINC000178082696 822312047 /nfs/dbraw/zinc/31/20/47/822312047.db2.gz VBDIYPOFOLLPGM-CYBMUJFWSA-N 1 0 385.321 4.276 20 0 GIADRO CC[C@@H]([NH2+]C[C@@H](O)COc1ccc(C(C)=O)cc1OC)c1cccc(Cl)c1 ZINC000182585855 822313020 /nfs/dbraw/zinc/31/30/20/822313020.db2.gz FKMZMUFXNXJEMO-RTBURBONSA-N 1 0 391.895 4.032 20 0 GIADRO C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CCSc4c(F)cccc43)cn2)C[C@@H](C)O1 ZINC000178085245 822313240 /nfs/dbraw/zinc/31/32/40/822313240.db2.gz CLPQDMLASZLDAO-SPYBWZPUSA-N 1 0 387.524 4.161 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)Nc2cccnc2N2CCCC2)CC1 ZINC000178089413 822315247 /nfs/dbraw/zinc/31/52/47/822315247.db2.gz WZHSUHSFIRAVRJ-IBGZPJMESA-N 1 0 399.583 4.190 20 0 GIADRO Cc1c([C@@H](C)[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)cnn1-c1ccc(F)cc1 ZINC000178105100 822321409 /nfs/dbraw/zinc/32/14/09/822321409.db2.gz MEOTXIRXQDXKCW-WDYLCZHCSA-N 1 0 385.508 4.469 20 0 GIADRO CC(C)(C)NS(=O)(=O)c1ccccc1C[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000182615988 822324063 /nfs/dbraw/zinc/32/40/63/822324063.db2.gz HVVNFTLOHKXSJJ-LJQANCHMSA-N 1 0 390.524 4.070 20 0 GIADRO Cc1ccc(OCCCC(=O)Nc2ccc(C[NH2+][C@H](C)[C@H]3CCOC3)cc2)cc1 ZINC000178114534 822324264 /nfs/dbraw/zinc/32/42/64/822324264.db2.gz GXXCUWJYRVSZRZ-CTNGQTDRSA-N 1 0 396.531 4.307 20 0 GIADRO O=C1Nc2ccccc2C12CCC([NH2+][C@H](c1ccccc1)[C@H]1CCCO1)CC2 ZINC000178124881 822326386 /nfs/dbraw/zinc/32/63/86/822326386.db2.gz QQKJMWSRIMMJJG-HPQVKGSHSA-N 1 0 376.500 4.329 20 0 GIADRO CC(C)Oc1ccc([C@@H](C)[NH2+]CC(=O)N(C)c2nc3ccccc3s2)cc1 ZINC000182626422 822328048 /nfs/dbraw/zinc/32/80/48/822328048.db2.gz ULKQDZZFILDBST-OAHLLOKOSA-N 1 0 383.517 4.397 20 0 GIADRO CC(C)Oc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(N3CCCC3)cc2)cc1 ZINC000182625873 822328297 /nfs/dbraw/zinc/32/82/97/822328297.db2.gz SULRZQIEGBAMHU-GOSISDBHSA-N 1 0 381.520 4.363 20 0 GIADRO C[C@H](Nc1ccc(N2CC[NH+](C)CC2)cc1)c1ccc(F)cc1OC(F)F ZINC000182630770 822331125 /nfs/dbraw/zinc/33/11/25/822331125.db2.gz RDCYRHRNYVNHAI-AWEZNQCLSA-N 1 0 379.426 4.352 20 0 GIADRO CC(C)Oc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000178142787 822331549 /nfs/dbraw/zinc/33/15/49/822331549.db2.gz GQFXPXGPSGUBNL-CVEARBPZSA-N 1 0 376.522 4.257 20 0 GIADRO CCOc1ccc(C(=O)N2CCC([NH2+][C@@H]3CCCc4cc(F)ccc43)CC2)cc1 ZINC000182636614 822333402 /nfs/dbraw/zinc/33/34/02/822333402.db2.gz ZWJYMBDGRPSKFX-HSZRJFAPSA-N 1 0 396.506 4.496 20 0 GIADRO Cc1nc(C)c([C@H](C)[NH2+]C[C@@H](c2ccc(Cl)cc2)N2CCOCC2)s1 ZINC000178148935 822333852 /nfs/dbraw/zinc/33/38/52/822333852.db2.gz AEWUTAHCGFDXOW-UGSOOPFHSA-N 1 0 379.957 4.137 20 0 GIADRO Cc1ccc2[nH]c([C@H]3CCCN3C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)nc2c1 ZINC000178169322 822340200 /nfs/dbraw/zinc/34/02/00/822340200.db2.gz YNHYOCBTSIXIBY-LAUBAEHRSA-N 1 0 380.536 4.189 20 0 GIADRO COc1cc(OC)c([C@@H](C)[NH2+]CCNC(=O)c2ccccc2Cl)cc1Cl ZINC000178172217 822341145 /nfs/dbraw/zinc/34/11/45/822341145.db2.gz IRRBQKQZPIRZAW-GFCCVEGCSA-N 1 0 397.302 4.091 20 0 GIADRO O=C(Nc1cccc(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)c1)c1ccoc1 ZINC000178173845 822341568 /nfs/dbraw/zinc/34/15/68/822341568.db2.gz WKKDVIDSEQYWAM-INIZCTEOSA-N 1 0 381.476 4.125 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000178190051 822347288 /nfs/dbraw/zinc/34/72/88/822347288.db2.gz DBRKZCSMBMFQLD-RDTXWAMCSA-N 1 0 397.523 4.367 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+][C@H]1CCCN(c2ncccn2)C1 ZINC000178194719 822348943 /nfs/dbraw/zinc/34/89/43/822348943.db2.gz NHMGULZGDIQXLL-YJBOKZPZSA-N 1 0 379.533 4.228 20 0 GIADRO Cc1ccc(O[C@H](C)C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)c(Br)c1 ZINC000178197178 822349389 /nfs/dbraw/zinc/34/93/89/822349389.db2.gz RNIXEYYXNHACNI-CHWSQXEVSA-N 1 0 377.282 4.183 20 0 GIADRO Clc1ccc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)nc1 ZINC000182685411 822350945 /nfs/dbraw/zinc/35/09/45/822350945.db2.gz WYCYHVSQEYKDJV-UHFFFAOYSA-N 1 0 375.863 4.273 20 0 GIADRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C2CCN(Cc3ccccc3)CC2)CC1 ZINC000182686463 822351161 /nfs/dbraw/zinc/35/11/61/822351161.db2.gz SETGNDXUZRMOGX-FQEVSTJZSA-N 1 0 387.568 4.030 20 0 GIADRO Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000182690141 822352401 /nfs/dbraw/zinc/35/24/01/822352401.db2.gz GREPRVBVZNLMCU-FQEVSTJZSA-N 1 0 387.572 4.060 20 0 GIADRO COc1ccc(C(C)(C)C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000178220887 822354914 /nfs/dbraw/zinc/35/49/14/822354914.db2.gz QYQWVVNWLXRMNG-UHFFFAOYSA-N 1 0 380.532 4.001 20 0 GIADRO CC(C)C(=O)NCC[NH2+][C@@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21 ZINC000178225575 822356047 /nfs/dbraw/zinc/35/60/47/822356047.db2.gz JQBGLNMYIXKVSC-OAHLLOKOSA-N 1 0 377.941 4.203 20 0 GIADRO COCc1cc([C@H](C)[NH2+]C2CCN(c3ccccc3OC)CC2)ccc1OC ZINC000178231420 822356916 /nfs/dbraw/zinc/35/69/16/822356916.db2.gz AEDDZBFPTYGWKK-KRWDZBQOSA-N 1 0 384.520 4.170 20 0 GIADRO C[C@H]([NH2+]C1CCN(Cc2ccncc2)CC1)c1ccc(F)cc1OC(F)F ZINC000178235206 822357227 /nfs/dbraw/zinc/35/72/27/822357227.db2.gz UIGFOGWZCBWQAY-AWEZNQCLSA-N 1 0 379.426 4.137 20 0 GIADRO C[C@@H]1C[NH+](CCC2CCN(C(=O)CC(C)(C)c3ccccc3)CC2)C[C@@H](C)O1 ZINC000178239737 822357546 /nfs/dbraw/zinc/35/75/46/822357546.db2.gz UADHVENNQIZDCZ-WOJBJXKFSA-N 1 0 386.580 4.092 20 0 GIADRO C[C@H](NC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1cccc(N2CCCC2)c1 ZINC000182720398 822357619 /nfs/dbraw/zinc/35/76/19/822357619.db2.gz CYYDNXPWNNHSTC-IRFCIJBXSA-N 1 0 398.595 4.300 20 0 GIADRO C[C@H]([NH2+][C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1)c1ccc2c(c1)COC2 ZINC000453404855 822358446 /nfs/dbraw/zinc/35/84/46/822358446.db2.gz NZXUVLXRFUHXNX-ONGXBYRLSA-N 1 0 390.449 4.398 20 0 GIADRO Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+][C@@H]1CCO[C@@H](c2nccn2C)C1 ZINC000453405412 822358494 /nfs/dbraw/zinc/35/84/94/822358494.db2.gz SKQKIBZFZYBEFZ-BPQIPLTHSA-N 1 0 375.900 4.106 20 0 GIADRO COc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CCC[C@H](C(F)(F)F)C3)CC2)cc1 ZINC000045033992 822358648 /nfs/dbraw/zinc/35/86/48/822358648.db2.gz NEGICYHYVHUATH-ROUUACIJSA-N 1 0 398.469 4.098 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)N(C)Cc2ccc(F)c(F)c2)cc1 ZINC000045035053 822358756 /nfs/dbraw/zinc/35/87/56/822358756.db2.gz GNVCGDQLASPIJW-UHFFFAOYSA-N 1 0 375.463 4.148 20 0 GIADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCc1ccc(C(F)(F)F)cc1 ZINC000178252784 822358748 /nfs/dbraw/zinc/35/87/48/822358748.db2.gz LHRVAHLROHKJPD-GFCCVEGCSA-N 1 0 385.817 4.303 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+][C@H]1CCCN(c2ccccc2)C1=O ZINC000178251872 822358757 /nfs/dbraw/zinc/35/87/57/822358757.db2.gz SBNYGWUSIPXEKL-BEFAXECRSA-N 1 0 392.528 4.360 20 0 GIADRO O=C1c2ccccc2C(=O)N1[C@H]1CCCC[C@H]([NH2+]CCC2CC(F)(F)C2)C1 ZINC000453413709 822359516 /nfs/dbraw/zinc/35/95/16/822359516.db2.gz JAYIJQYIESZXCD-HOTGVXAUSA-N 1 0 376.447 4.009 20 0 GIADRO COc1ccc([C@@H]([NH2+]CCc2cnc(C)cn2)c2ccccc2Cl)cc1OC ZINC000453413858 822359537 /nfs/dbraw/zinc/35/95/37/822359537.db2.gz WOBPTJKXXFQGNO-JOCHJYFZSA-N 1 0 397.906 4.377 20 0 GIADRO Brc1ccc([C@@H]([NH2+]CCOCC2CCCC2)c2cncnc2)cc1 ZINC000453415559 822359726 /nfs/dbraw/zinc/35/97/26/822359726.db2.gz ZBCYWGUSKBHPFR-LJQANCHMSA-N 1 0 390.325 4.125 20 0 GIADRO Cn1ccnc1[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3c(Br)cccc32)CCO1 ZINC000453416973 822360102 /nfs/dbraw/zinc/36/01/02/822360102.db2.gz ZTFYFYJYEVMAEH-VHSSKADRSA-N 1 0 390.325 4.070 20 0 GIADRO Cc1ncccc1NC(=O)[C@H](C)[NH2+]C1CC(c2ccc(C(F)(F)F)cc2)C1 ZINC000453419498 822360181 /nfs/dbraw/zinc/36/01/81/822360181.db2.gz CZTXOTGOTXNXDZ-KTAKPFMOSA-N 1 0 377.410 4.272 20 0 GIADRO Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@@H]1C[C@H](C)c2c1cccc2Br ZINC000453419667 822360294 /nfs/dbraw/zinc/36/02/94/822360294.db2.gz DDVPYCSXDQARIU-PLQHRBFRSA-N 1 0 388.309 4.318 20 0 GIADRO C[C@@H]([NH3+])c1ccc(NC(=O)C2CCN(c3nc4ccccc4s3)CC2)cc1 ZINC000178262280 822360500 /nfs/dbraw/zinc/36/05/00/822360500.db2.gz CAPCXXGBKJVFGV-CQSZACIVSA-N 1 0 380.517 4.171 20 0 GIADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCC1CC(F)(F)C1 ZINC000453422641 822360625 /nfs/dbraw/zinc/36/06/25/822360625.db2.gz MYJBSSADZDHYCN-NSHDSACASA-N 1 0 375.257 4.191 20 0 GIADRO CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC000453429894 822361779 /nfs/dbraw/zinc/36/17/79/822361779.db2.gz CMWLYCDRMZQANX-MRXNPFEDSA-N 1 0 391.947 4.012 20 0 GIADRO Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]Cc1ccccc1N1CCOCC1)CCCO2 ZINC000178275100 822362131 /nfs/dbraw/zinc/36/21/31/822362131.db2.gz NGSYKHWPCMDMMA-FQEVSTJZSA-N 1 0 386.923 4.489 20 0 GIADRO O=C(Nc1ccc(Cl)cc1Br)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000178276303 822362279 /nfs/dbraw/zinc/36/22/79/822362279.db2.gz OMYJIRWHCNBTSB-ZDUSSCGKSA-N 1 0 386.721 4.195 20 0 GIADRO O=C([C@@H](Cc1ccccc1)[NH2+][C@@H]1CCSc2c(F)cccc21)N1CCCC1 ZINC000178277279 822362322 /nfs/dbraw/zinc/36/23/22/822362322.db2.gz OGALISIVPOVAPU-WOJBJXKFSA-N 1 0 384.520 4.186 20 0 GIADRO COc1cc(OC)cc(N2CC[C@H]([NH2+][C@@H](C)c3ccc4ccccc4n3)C2)c1 ZINC000178275998 822362406 /nfs/dbraw/zinc/36/24/06/822362406.db2.gz WFJDTGIADHQXIS-WMZOPIPTSA-N 1 0 377.488 4.182 20 0 GIADRO CS(=O)(=O)Cc1ccccc1C[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000178298875 822364781 /nfs/dbraw/zinc/36/47/81/822364781.db2.gz UNABHASPQHGOAE-KRWDZBQOSA-N 1 0 381.950 4.211 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)Cc1ccc(OC)c(F)c1 ZINC000045132566 822364953 /nfs/dbraw/zinc/36/49/53/822364953.db2.gz FOOGFCOUUDYMMV-UHFFFAOYSA-N 1 0 387.499 4.018 20 0 GIADRO Cc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@H]2C[C@H]4CCCCN4C2=O)CCC3)cc1 ZINC000453449835 822365138 /nfs/dbraw/zinc/36/51/38/822365138.db2.gz QPQBYVGOCXHNRU-LMMKCTJWSA-N 1 0 381.545 4.239 20 0 GIADRO CS(=O)(=O)Cc1ccccc1C[NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000178302800 822365250 /nfs/dbraw/zinc/36/52/50/822365250.db2.gz XOKZBLXSOFCCIA-QGZVFWFLSA-N 1 0 384.328 4.315 20 0 GIADRO COc1ccc([C@@H](Cc2ccncc2)[NH2+][C@@H](CO)Cc2ccc(C)c(C)c2)cc1 ZINC000453456071 822367213 /nfs/dbraw/zinc/36/72/13/822367213.db2.gz VARGYWJUDNKDGH-ILBGXUMGSA-N 1 0 390.527 4.184 20 0 GIADRO O=C(NCc1nc(C[NH2+][C@@H](Cc2ccccc2)C2CC2)cs1)c1ccccc1 ZINC000178326701 822367311 /nfs/dbraw/zinc/36/73/11/822367311.db2.gz DJVCWGZGLJEJEW-NRFANRHFSA-N 1 0 391.540 4.184 20 0 GIADRO CCN(c1nnc([C@@H]2CC[C@H](C)O2)n1CC)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000453457376 822367543 /nfs/dbraw/zinc/36/75/43/822367543.db2.gz ATWUCXXAOANMLQ-YHELAOLJSA-N 1 0 397.567 4.200 20 0 GIADRO O=C1[C@H]([NH2+][C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)C[C@@H]2CCCCN12 ZINC000453459404 822368323 /nfs/dbraw/zinc/36/83/23/822368323.db2.gz WJXOZLWYTXLCPU-XYJFISCASA-N 1 0 385.508 4.070 20 0 GIADRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)c2sccc2C)cc1 ZINC000178340001 822369033 /nfs/dbraw/zinc/36/90/33/822369033.db2.gz BJDKMUIKJYDGJB-CVEARBPZSA-N 1 0 380.579 4.499 20 0 GIADRO O=C(NCCc1ccc(Cl)s1)NCc1ccccc1C[NH+]1CCCC1 ZINC000045191911 822369298 /nfs/dbraw/zinc/36/92/98/822369298.db2.gz SDQVWXMAPFLWDE-UHFFFAOYSA-N 1 0 377.941 4.039 20 0 GIADRO C[C@H](Nc1cccc(C[NH+]2CCSCC2)c1)c1ccc(N2CCOC2=O)cc1 ZINC000182805985 822370668 /nfs/dbraw/zinc/37/06/68/822370668.db2.gz ROWKVTSLLYANCK-KRWDZBQOSA-N 1 0 397.544 4.365 20 0 GIADRO COc1ccccc1[C@H](NC(=O)NC[C@H](c1cccs1)[NH+](C)C)c1ccco1 ZINC000178360747 822371128 /nfs/dbraw/zinc/37/11/28/822371128.db2.gz IFCWUEDFPAERQG-UZLBHIALSA-N 1 0 399.516 4.041 20 0 GIADRO CC(C)OCCN1CC[NH+](CCSc2ccnc3cc(Cl)ccc32)CC1 ZINC000182819717 822372635 /nfs/dbraw/zinc/37/26/35/822372635.db2.gz GAAIVNMTIKCAKI-UHFFFAOYSA-N 1 0 393.984 4.023 20 0 GIADRO COc1cc(C[NH2+][C@@H](C)c2cc(Br)ccc2F)cc(OC)c1OC ZINC000178378983 822372988 /nfs/dbraw/zinc/37/29/88/822372988.db2.gz VPFGXNQJAAKNPZ-NSHDSACASA-N 1 0 398.272 4.465 20 0 GIADRO C[C@H](NC(=O)c1c[nH]nc1-c1ccc(Cl)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182822019 822373139 /nfs/dbraw/zinc/37/31/39/822373139.db2.gz NNDGZITXHYBIEP-HOCLYGCPSA-N 1 0 386.927 4.113 20 0 GIADRO CC(C)Sc1ccc([C@@H](C)[NH2+]Cc2cccc([C@@]3(C)NC(=O)NC3=O)c2)cc1 ZINC000178381802 822373412 /nfs/dbraw/zinc/37/34/12/822373412.db2.gz JSROTWAARYZZPZ-IVZQSRNASA-N 1 0 397.544 4.093 20 0 GIADRO C[C@H](NC(=O)Nc1cccc(Cl)c1N(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182834037 822375209 /nfs/dbraw/zinc/37/52/09/822375209.db2.gz RETAOGKMOVIBDF-GJZGRUSLSA-N 1 0 378.948 4.181 20 0 GIADRO COc1ccccc1C[C@@H]([NH2+][C@H](C)C(=O)Nc1c(F)cccc1F)C(C)C ZINC000178399024 822375474 /nfs/dbraw/zinc/37/54/74/822375474.db2.gz COTUSCZJZGUECR-RDTXWAMCSA-N 1 0 376.447 4.157 20 0 GIADRO Cc1nc(-c2ccc(CNC(=O)NCCCC[N@H+]3CCC[C@H](C)C3)o2)cs1 ZINC000045275138 822375532 /nfs/dbraw/zinc/37/55/32/822375532.db2.gz ZXDKLBNCQWQNHA-HNNXBMFYSA-N 1 0 390.553 4.023 20 0 GIADRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)cc1F ZINC000178405988 822376051 /nfs/dbraw/zinc/37/60/51/822376051.db2.gz AHFJBPJYZKMTEG-JKSUJKDBSA-N 1 0 376.497 4.086 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CC(C)(C)c2ccccc21)c1cccc(N2CCCS2(=O)=O)c1 ZINC000178406615 822376280 /nfs/dbraw/zinc/37/62/80/822376280.db2.gz RIDDBLQJBGIOTE-IIBYNOLFSA-N 1 0 384.545 4.300 20 0 GIADRO COc1c(C)cc(CN(C)C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1C ZINC000182841848 822376720 /nfs/dbraw/zinc/37/67/20/822376720.db2.gz YSJLKNUJFBVPDB-ICSRJNTNSA-N 1 0 387.568 4.106 20 0 GIADRO C[C@@H](NC(=O)N1CCC(OCc2ccccc2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182845497 822377624 /nfs/dbraw/zinc/37/76/24/822377624.db2.gz XBPPOQKUUVNTAI-CTNGQTDRSA-N 1 0 399.579 4.030 20 0 GIADRO O=C(Nc1ccccc1OC(F)(F)F)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000178434233 822378689 /nfs/dbraw/zinc/37/86/89/822378689.db2.gz YFQWBANNWVXFTD-CZUORRHYSA-N 1 0 383.414 4.066 20 0 GIADRO O=C(Nc1cccc(OC2CCCC2)c1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000178436680 822378937 /nfs/dbraw/zinc/37/89/37/822378937.db2.gz BEUCQKMCGBBXFK-VGSWGCGISA-N 1 0 383.536 4.489 20 0 GIADRO Cc1nc(C)c([C@H](C)[NH2+][C@@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)s1 ZINC000178437152 822379148 /nfs/dbraw/zinc/37/91/48/822379148.db2.gz QLLQILZGMDKNMK-GJZGRUSLSA-N 1 0 386.565 4.428 20 0 GIADRO O=C(Nc1ccccc1OC1CCCC1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000178442729 822379347 /nfs/dbraw/zinc/37/93/47/822379347.db2.gz IJLFNUVHSHNVGC-DYESRHJHSA-N 1 0 383.536 4.489 20 0 GIADRO CC[C@@H](C)c1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1Cc1cccs1 ZINC000453502427 822379467 /nfs/dbraw/zinc/37/94/67/822379467.db2.gz RCXWMSRHWAHZQV-IAGOWNOFSA-N 1 0 387.597 4.212 20 0 GIADRO COc1ccccc1[C@H](O)C[NH2+][C@@H](C)c1cnn(-c2cc(C)ccc2C)c1C ZINC000178443850 822379512 /nfs/dbraw/zinc/37/95/12/822379512.db2.gz OSSNUZFPSARLEV-HTAPYJJXSA-N 1 0 379.504 4.190 20 0 GIADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3ccccc3F)n2Cc2cccs2)CC1 ZINC000453505176 822379793 /nfs/dbraw/zinc/37/97/93/822379793.db2.gz TYSDIHWCKQOELY-UHFFFAOYSA-N 1 0 399.539 4.115 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCCC3=O)cc2)cc1OCC ZINC000178446391 822379798 /nfs/dbraw/zinc/37/97/98/822379798.db2.gz DPLKYCYUGGJXQL-KRWDZBQOSA-N 1 0 382.504 4.462 20 0 GIADRO CC(C)n1ncc2ccc(NC(=O)N3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cc21 ZINC000178449296 822379985 /nfs/dbraw/zinc/37/99/85/822379985.db2.gz QAEKPWOKTXAKPD-PXNSSMCTSA-N 1 0 381.524 4.098 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+][C@@H](C)C(=O)N1CCCCC1 ZINC000178463170 822381421 /nfs/dbraw/zinc/38/14/21/822381421.db2.gz SPJXAMIMSIQULJ-HIFRSBDPSA-N 1 0 375.513 4.309 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCCc2nc(-c3ccccc3F)sc21)C(=O)N1CCCCC1 ZINC000178464565 822381601 /nfs/dbraw/zinc/38/16/01/822381601.db2.gz FTNALJHZBYUWEE-PBHICJAKSA-N 1 0 387.524 4.317 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21)C(=O)N1CCCCC1 ZINC000178466158 822382019 /nfs/dbraw/zinc/38/20/19/822382019.db2.gz FEPJVYBKDPVOOS-RHSMWYFYSA-N 1 0 387.524 4.317 20 0 GIADRO CC(=O)Nc1cccc(C[N@@H+](C)CC[C@H](NC(=O)OC(C)(C)C)C(C)C)c1 ZINC000178467953 822382177 /nfs/dbraw/zinc/38/21/77/822382177.db2.gz DCXQECDYRZFOBD-IBGZPJMESA-N 1 0 377.529 4.016 20 0 GIADRO CC(C)[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(CO)cc1 ZINC000182870060 822383058 /nfs/dbraw/zinc/38/30/58/822383058.db2.gz XCCNMWDHPUTXSC-UHFFFAOYSA-N 1 0 380.410 4.047 20 0 GIADRO CC(C)C(=O)Nc1ccc(C[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)cc1 ZINC000178479877 822383419 /nfs/dbraw/zinc/38/34/19/822383419.db2.gz UIAYPANOTIOQSW-KRWDZBQOSA-N 1 0 379.504 4.259 20 0 GIADRO CC(C)C(=O)Nc1ccc(C[NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000178480793 822383686 /nfs/dbraw/zinc/38/36/86/822383686.db2.gz MPYBEMHIVMWSDY-QGZVFWFLSA-N 1 0 379.504 4.259 20 0 GIADRO COc1ccc(Cl)cc1[C@H](C)[NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000178488720 822384571 /nfs/dbraw/zinc/38/45/71/822384571.db2.gz BEWSBYVMZYLHJT-KGLIPLIRSA-N 1 0 396.940 4.011 20 0 GIADRO CC[NH+]1CCC(n2nccc2NCc2sc(C)cc2Br)CC1 ZINC000453564764 822385260 /nfs/dbraw/zinc/38/52/60/822385260.db2.gz HGXXNRJPHMPJSB-UHFFFAOYSA-N 1 0 383.359 4.284 20 0 GIADRO CCc1cccc(CC)c1NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000182881074 822385312 /nfs/dbraw/zinc/38/53/12/822385312.db2.gz CRTCYCYOQPHFFC-JOCHJYFZSA-N 1 0 395.547 4.090 20 0 GIADRO Cc1cc(Br)c(C[NH2+][C@@H]2CCN(C(=O)Nc3ccccc3)C2)s1 ZINC000453568695 822385622 /nfs/dbraw/zinc/38/56/22/822385622.db2.gz AQKQPJFPPWPUIQ-CQSZACIVSA-N 1 0 394.338 4.215 20 0 GIADRO Cc1cc(Br)c(CNc2cccc(C[NH+]3CCC(O)CC3)c2)s1 ZINC000453572602 822386100 /nfs/dbraw/zinc/38/61/00/822386100.db2.gz HPJMOITXXWAEJE-UHFFFAOYSA-N 1 0 395.366 4.388 20 0 GIADRO Fc1ccccc1-c1n[nH]cc1C[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000453574929 822386514 /nfs/dbraw/zinc/38/65/14/822386514.db2.gz JJPJPEWNJXYZKC-UHFFFAOYSA-N 1 0 377.463 4.280 20 0 GIADRO FC1(F)CC(CC[NH2+]Cc2c(Br)cncc2Br)C1 ZINC000453574696 822386707 /nfs/dbraw/zinc/38/67/07/822386707.db2.gz CFAPUTXPXTVKBC-UHFFFAOYSA-N 1 0 384.062 4.132 20 0 GIADRO C[C@H](NC(=O)N(C)[C@@H](C)c1cc(F)ccc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182888980 822386758 /nfs/dbraw/zinc/38/67/58/822386758.db2.gz QMCMIPKVXLMWOX-HRCADAONSA-N 1 0 379.495 4.320 20 0 GIADRO CC(C)c1noc(CCC[NH2+][C@H]2CCCOc3c(Br)cccc32)n1 ZINC000178514546 822386940 /nfs/dbraw/zinc/38/69/40/822386940.db2.gz ZPGNPVGECQPPHH-HNNXBMFYSA-N 1 0 394.313 4.392 20 0 GIADRO CC1(C)C[C@@H](C[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)CCO1 ZINC000453577304 822386998 /nfs/dbraw/zinc/38/69/98/822386998.db2.gz HNXHRBXYDBUOHS-ZDUSSCGKSA-N 1 0 378.314 4.134 20 0 GIADRO Cc1ccc(NC(=O)C2CC2)cc1NC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182891750 822387282 /nfs/dbraw/zinc/38/72/82/822387282.db2.gz DYCWZHNCXJRYPH-FUHWJXTLSA-N 1 0 398.551 4.118 20 0 GIADRO CCOc1cc(C[NH2+]C[C@H]2CCOC(C)(C)C2)ccc1OCC(F)(F)F ZINC000453580749 822388021 /nfs/dbraw/zinc/38/80/21/822388021.db2.gz LGGJTVMEZXUZOB-HNNXBMFYSA-N 1 0 375.431 4.321 20 0 GIADRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccc(C(F)(F)F)nc1Cl ZINC000178528515 822388271 /nfs/dbraw/zinc/38/82/71/822388271.db2.gz LLSSKFQVZHZMNV-HNNXBMFYSA-N 1 0 397.828 4.321 20 0 GIADRO COc1ccc(C(=O)Nc2cccc(C[NH2+]C[C@@H]3CCOC(C)(C)C3)c2)cc1 ZINC000453583683 822388343 /nfs/dbraw/zinc/38/83/43/822388343.db2.gz PDAFRLUJSQLLES-GOSISDBHSA-N 1 0 382.504 4.242 20 0 GIADRO Cc1nn2c(C[NH+]3CCC4(CC3)OCCc3ccccc34)c(C(C)C)nc2s1 ZINC000453584019 822388576 /nfs/dbraw/zinc/38/85/76/822388576.db2.gz ZFTYSUFYWHFSKY-UHFFFAOYSA-N 1 0 396.560 4.287 20 0 GIADRO CC(C)CC(=O)Nc1ccc(N[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000182902001 822389314 /nfs/dbraw/zinc/38/93/14/822389314.db2.gz UZGASUQCHXLVCK-AVRDEDQJSA-N 1 0 380.536 4.389 20 0 GIADRO CC1(C)C[C@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)CCO1 ZINC000453588539 822389401 /nfs/dbraw/zinc/38/94/01/822389401.db2.gz YRZXRXKSHZVRFR-GOSISDBHSA-N 1 0 376.504 4.229 20 0 GIADRO COc1ccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000178543159 822390046 /nfs/dbraw/zinc/39/00/46/822390046.db2.gz LLLNXJXRMNFSEO-KNQAVFIVSA-N 1 0 379.504 4.214 20 0 GIADRO CCC(CC)C(=O)N1CCC([NH2+]Cc2sc(C)cc2Br)CC1 ZINC000453593980 822390402 /nfs/dbraw/zinc/39/04/02/822390402.db2.gz UDGYCXPPUZDBDA-UHFFFAOYSA-N 1 0 387.387 4.336 20 0 GIADRO COc1ccc(C2(C(=O)Nc3cccc(C[NH+](C)C)c3)CCCC2)cc1OC ZINC000182908260 822390709 /nfs/dbraw/zinc/39/07/09/822390709.db2.gz BIXRUMAIGSJMSL-UHFFFAOYSA-N 1 0 382.504 4.216 20 0 GIADRO Cc1cc(Br)c(C[NH2+][C@H]2CCO[C@@H]2c2ccnn2C(C)C)s1 ZINC000453600628 822391238 /nfs/dbraw/zinc/39/12/38/822391238.db2.gz QNKRICKOQZICRJ-BBRMVZONSA-N 1 0 384.343 4.216 20 0 GIADRO CCOc1cc(CNc2ccc3c[nH+]ccc3c2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000453601179 822391261 /nfs/dbraw/zinc/39/12/61/822391261.db2.gz SXNGTVHUMMVMFG-INIZCTEOSA-N 1 0 393.487 4.101 20 0 GIADRO OCc1ccc(C[NH2+][C@H]2CCCOc3ccc(Br)cc32)cc1F ZINC000178560660 822391950 /nfs/dbraw/zinc/39/19/50/822391950.db2.gz BTZKQOCFEUSRAH-KRWDZBQOSA-N 1 0 380.257 4.084 20 0 GIADRO O[C@H]1Cc2ccccc2[C@H]1[NH2+][C@H]1CCSc2ccc(Br)cc21 ZINC000178571316 822392691 /nfs/dbraw/zinc/39/26/91/822392691.db2.gz PEIKBSKQWARCNM-XYJFISCASA-N 1 0 376.319 4.234 20 0 GIADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)c2ccccc2C(F)(F)F)cc1 ZINC000178575173 822393133 /nfs/dbraw/zinc/39/31/33/822393133.db2.gz WQGIZOXWWUPJFA-CHWSQXEVSA-N 1 0 386.439 4.025 20 0 GIADRO C[C@@H](NC(=O)N(C)Cc1nc2ccccc2s1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182924541 822393792 /nfs/dbraw/zinc/39/37/92/822393792.db2.gz ZVAYHUVHBRVLHN-CVEARBPZSA-N 1 0 386.565 4.091 20 0 GIADRO CC(C)C[NH+]1CCC(NC(=O)CCCc2ccccc2Br)CC1 ZINC000178589712 822394357 /nfs/dbraw/zinc/39/43/57/822394357.db2.gz KTZCSFMWMZVWMC-UHFFFAOYSA-N 1 0 381.358 4.008 20 0 GIADRO COc1ccc(CC[NH2+][C@@H](C)CC(=O)Nc2ccccc2C(F)(F)F)cc1F ZINC000178594035 822394628 /nfs/dbraw/zinc/39/46/28/822394628.db2.gz YVQCEPXABINOAU-ZDUSSCGKSA-N 1 0 398.400 4.403 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)N[C@@H]1CCSc2ccc(F)cc21)c1ccsc1 ZINC000045541311 822394781 /nfs/dbraw/zinc/39/47/81/822394781.db2.gz JVRAOYRYCRUGCX-HZPDHXFCSA-N 1 0 379.526 4.026 20 0 GIADRO C[C@H](NC(=O)N(Cc1ccccc1)CC(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182934687 822395860 /nfs/dbraw/zinc/39/58/60/822395860.db2.gz CDHDWKDSCBLHOK-WMZOPIPTSA-N 1 0 379.495 4.116 20 0 GIADRO C[C@@H]1CC[C@H](C[NH2+]Cc2cc(Br)ccc2OCc2ccccn2)O1 ZINC000453633711 822396095 /nfs/dbraw/zinc/39/60/95/822396095.db2.gz RTJKZCSOCHYQFD-RDTXWAMCSA-N 1 0 391.309 4.080 20 0 GIADRO CCOc1cc(C[NH2+]C[C@H]2CC[C@@H](C)O2)cc(Br)c1OC(F)F ZINC000453635411 822396499 /nfs/dbraw/zinc/39/64/99/822396499.db2.gz UVSBMPPNKJJFMD-ZYHUDNBSSA-N 1 0 394.256 4.106 20 0 GIADRO C[N@H+](CCCNC(=O)c1ccc(COc2ccc(F)cc2)o1)Cc1ccccc1 ZINC000045580973 822396876 /nfs/dbraw/zinc/39/68/76/822396876.db2.gz RKDHHHRJZCQEBI-UHFFFAOYSA-N 1 0 396.462 4.250 20 0 GIADRO CC1(C)C[C@@H]([NH2+]Cc2cccc(C(=O)NC[C@@H]3CCCO3)c2)c2ccccc21 ZINC000178639941 822398612 /nfs/dbraw/zinc/39/86/12/822398612.db2.gz WJLMOTNSQGNJIU-SIKLNZKXSA-N 1 0 378.516 4.108 20 0 GIADRO COc1ccc(CN(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)C2CC2)cc1 ZINC000182952081 822398908 /nfs/dbraw/zinc/39/89/08/822398908.db2.gz IQQFGTFYMPGKII-PKOBYXMFSA-N 1 0 385.552 4.022 20 0 GIADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)Nc2nc3c(s2)CCCCC3)CC1 ZINC000178646731 822399084 /nfs/dbraw/zinc/39/90/84/822399084.db2.gz UOFHHFCCOYRXIP-HNNXBMFYSA-N 1 0 399.564 4.154 20 0 GIADRO CC(C)[C@H]([NH2+][C@@H](C)CC(=O)Nc1cccnc1Cl)c1nc2ccccc2[nH]1 ZINC000178644135 822399202 /nfs/dbraw/zinc/39/92/02/822399202.db2.gz RKCOSHOJWLYVHR-UGSOOPFHSA-N 1 0 385.899 4.315 20 0 GIADRO CN(Cc1cc(F)c(F)c(F)c1)C(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000182959776 822400208 /nfs/dbraw/zinc/40/02/08/822400208.db2.gz YIEVYBSASOQNKO-UHFFFAOYSA-N 1 0 376.378 4.184 20 0 GIADRO CS(=O)(=O)Cc1ccccc1C[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000178662456 822400705 /nfs/dbraw/zinc/40/07/05/822400705.db2.gz QZRGHXLQMKWJFZ-QHCPKHFHSA-N 1 0 379.525 4.305 20 0 GIADRO CCn1cc(C(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)c2ccccc21 ZINC000178675113 822401810 /nfs/dbraw/zinc/40/18/10/822401810.db2.gz HWNPYBWYANMZHW-QGZVFWFLSA-N 1 0 376.504 4.012 20 0 GIADRO CC/C(=C\C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1)c1ccc(OC)cc1 ZINC000178677967 822401980 /nfs/dbraw/zinc/40/19/80/822401980.db2.gz QSUCKMDWYUQYMZ-SELCWUDQSA-N 1 0 393.531 4.225 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc(Cl)s1)C(=O)NCCc1c[nH]c2ccccc12 ZINC000182972369 822402178 /nfs/dbraw/zinc/40/21/78/822402178.db2.gz FQUCVZKUAMPPIX-STQMWFEESA-N 1 0 375.925 4.281 20 0 GIADRO Cc1nccn1C[C@H](C)C[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000178699653 822403816 /nfs/dbraw/zinc/40/38/16/822403816.db2.gz LPDBWQFKINFCMZ-DYVFJYSZSA-N 1 0 378.314 4.094 20 0 GIADRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@@H](c1ccccc1)c1ccncc1 ZINC000178701787 822404094 /nfs/dbraw/zinc/40/40/94/822404094.db2.gz UZABYXWOKJAIBC-YWZLYKJASA-N 1 0 380.879 4.226 20 0 GIADRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]Cc1ccc(Br)s1 ZINC000178713108 822405064 /nfs/dbraw/zinc/40/50/64/822405064.db2.gz FTRRFOYYGBZTOB-VIFPVBQESA-N 1 0 388.718 4.066 20 0 GIADRO COc1ccc(CN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(Cl)s2)cc1OC ZINC000182984862 822405304 /nfs/dbraw/zinc/40/53/04/822405304.db2.gz BAAFUEBDCNFXBY-STQMWFEESA-N 1 0 396.940 4.116 20 0 GIADRO CC[C@@H](C)NC(=O)CC[NH2+][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000178717455 822405316 /nfs/dbraw/zinc/40/53/16/822405316.db2.gz SVTJQMYBCZQXEV-CZUORRHYSA-N 1 0 375.513 4.221 20 0 GIADRO CCOc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1ccc(N3CCCC3=O)cc1)CCO2 ZINC000178722368 822405637 /nfs/dbraw/zinc/40/56/37/822405637.db2.gz HTAFMNLPVJBBRX-HRAATJIYSA-N 1 0 380.488 4.387 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+][C@H]1CCCN(CC(F)(F)F)C1=O ZINC000178741256 822406498 /nfs/dbraw/zinc/40/64/98/822406498.db2.gz KEHJAKZVZZKHMN-WFASDCNBSA-N 1 0 397.466 4.322 20 0 GIADRO O=C(N[C@@H](C[C@H]1CCOC1)c1ccccc1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000178747342 822407002 /nfs/dbraw/zinc/40/70/02/822407002.db2.gz KKFXYITWLNUABY-OFNKIYASSA-N 1 0 399.579 4.108 20 0 GIADRO CCC(=O)Nc1ccc(NC(=O)N2CCC(CCC[NH+](CC)CC)CC2)cc1 ZINC000182994116 822407549 /nfs/dbraw/zinc/40/75/49/822407549.db2.gz KCPOVWHDOJMOEF-UHFFFAOYSA-N 1 0 388.556 4.401 20 0 GIADRO Cc1c([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2C)cnn1-c1ccc(F)cc1 ZINC000183000018 822408684 /nfs/dbraw/zinc/40/86/84/822408684.db2.gz HQPOXQWKBZBMTR-CVEARBPZSA-N 1 0 380.467 4.306 20 0 GIADRO CCSc1ccccc1[C@H](C)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000183001802 822409004 /nfs/dbraw/zinc/40/90/04/822409004.db2.gz WBVJSAJJYJEEFR-OXJNMPFZSA-N 1 0 383.561 4.421 20 0 GIADRO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+](C)C[C@@H]2CCOC2)cc1 ZINC000178779033 822409197 /nfs/dbraw/zinc/40/91/97/822409197.db2.gz KFWGFAKMJWHLJW-SFHVURJKSA-N 1 0 377.488 4.016 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@H](C)C(=O)Nc2cc(F)ccc2C)cnn1-c1ccc(F)cc1 ZINC000183002634 822409230 /nfs/dbraw/zinc/40/92/30/822409230.db2.gz BZLNYYCWKGBRDT-LSDHHAIUSA-N 1 0 398.457 4.445 20 0 GIADRO O=C(NC1CCC(c2ccccc2)CC1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000045754824 822410542 /nfs/dbraw/zinc/41/05/42/822410542.db2.gz AASOCSCJDIQFRR-UHFFFAOYSA-N 1 0 392.547 4.072 20 0 GIADRO CCOc1cc(NC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)ccc1OC ZINC000045757273 822410842 /nfs/dbraw/zinc/41/08/42/822410842.db2.gz WTXJNAISUCRAEM-UHFFFAOYSA-N 1 0 397.519 4.188 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)Nc2ccc3c(c2)OC(C)(C)O3)CC1 ZINC000045757728 822410972 /nfs/dbraw/zinc/41/09/72/822410972.db2.gz RLONXNKGRWPBPK-UHFFFAOYSA-N 1 0 395.503 4.288 20 0 GIADRO Cc1c([C@@H](C)[NH2+][C@@H](C)c2ccc(OC[C@@H]3CCCCO3)c(F)c2)cnn1C ZINC000178800321 822411270 /nfs/dbraw/zinc/41/12/70/822411270.db2.gz LLMQMDCDSROCDQ-DAYGRLMNSA-N 1 0 375.488 4.227 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)Nc2ccn(Cc3ccccc3)n2)CC1 ZINC000183012879 822411289 /nfs/dbraw/zinc/41/12/89/822411289.db2.gz XSKNLALDEIZUDQ-UHFFFAOYSA-N 1 0 397.567 4.297 20 0 GIADRO COc1ccc(C[NH2+][C@H](C)c2ccc(OC[C@@H]3CCCCO3)c(F)c2)cc1O ZINC000178801864 822411808 /nfs/dbraw/zinc/41/18/08/822411808.db2.gz HPUHQAPVIGBJHP-QAPCUYQASA-N 1 0 389.467 4.339 20 0 GIADRO Cc1cc([C@@H]2CCCN2C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)no1 ZINC000045777278 822412625 /nfs/dbraw/zinc/41/26/25/822412625.db2.gz SMQAPKAKLFPDKW-QFIPXVFZSA-N 1 0 396.535 4.262 20 0 GIADRO Cn1cc(C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)c(C2CCCCC2)n1 ZINC000183022413 822412776 /nfs/dbraw/zinc/41/27/76/822412776.db2.gz NZDXXDXXMNUHNR-UHFFFAOYSA-N 1 0 386.584 4.129 20 0 GIADRO COc1ccccc1CN(C)C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000045786400 822413502 /nfs/dbraw/zinc/41/35/02/822413502.db2.gz XQWINAKTLCLJRX-IBGZPJMESA-N 1 0 395.547 4.269 20 0 GIADRO C[C@H]([NH3+])C1CCN(C(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)CC1 ZINC000178820448 822413665 /nfs/dbraw/zinc/41/36/65/822413665.db2.gz ZIPNYHQQWCHXIH-LBPRGKRZSA-N 1 0 396.318 4.167 20 0 GIADRO C[C@@H]([NH3+])C1CCN(C(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)CC1 ZINC000178820461 822413683 /nfs/dbraw/zinc/41/36/83/822413683.db2.gz ZIPNYHQQWCHXIH-GFCCVEGCSA-N 1 0 396.318 4.167 20 0 GIADRO CCN(Cc1ccccc1)C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000045787636 822413746 /nfs/dbraw/zinc/41/37/46/822413746.db2.gz UOUKPRBUXYIRCD-BGYRXZFFSA-N 1 0 395.547 4.028 20 0 GIADRO C[C@@H]([NH3+])C1CCN(C(=O)[C@@H](Oc2ccc(F)cc2Cl)c2ccccc2)CC1 ZINC000178825198 822414316 /nfs/dbraw/zinc/41/43/16/822414316.db2.gz XGYKGRSBVSLAPH-VLIAUNLRSA-N 1 0 390.886 4.185 20 0 GIADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)CC2CCC(C(F)(F)F)CC2)CC1 ZINC000183033344 822414836 /nfs/dbraw/zinc/41/48/36/822414836.db2.gz DOYUETWYAWCASB-UHFFFAOYSA-N 1 0 386.458 4.461 20 0 GIADRO CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1)c1ccccc1 ZINC000045812583 822415451 /nfs/dbraw/zinc/41/54/51/822415451.db2.gz LLAFTBHRSJLOGO-IRXDYDNUSA-N 1 0 379.504 4.127 20 0 GIADRO CC(C)=CCC[C@H](C)NC(=O)C(=O)Nc1cccc2c1C[N@@H+]([C@H](C)C(C)C)C2 ZINC000453842980 822415808 /nfs/dbraw/zinc/41/58/08/822415808.db2.gz AUPPXDVMTGOHOC-ZWKOTPCHSA-N 1 0 385.552 4.236 20 0 GIADRO CCc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000045813283 822415884 /nfs/dbraw/zinc/41/58/84/822415884.db2.gz SNUYXAVQKCXZJW-CVEARBPZSA-N 1 0 379.504 4.275 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1cccc(NC(=O)c2cccs2)c1)c1cccs1 ZINC000045823891 822416819 /nfs/dbraw/zinc/41/68/19/822416819.db2.gz QZTXRIAVEWVUPN-MRXNPFEDSA-N 1 0 399.541 4.095 20 0 GIADRO COc1cc(-c2ccccc2)ccc1C[NH2+]C1CCN(C(=O)c2ccco2)CC1 ZINC000183044936 822416857 /nfs/dbraw/zinc/41/68/57/822416857.db2.gz DBCCPCUZARTSPB-UHFFFAOYSA-N 1 0 390.483 4.350 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)CCc1ccccc1Cl)c1cccc(OC)c1 ZINC000045827775 822417228 /nfs/dbraw/zinc/41/72/28/822417228.db2.gz LDOXCOINXKXBQB-OAQYLSRUSA-N 1 0 388.939 4.481 20 0 GIADRO O=C(Cc1ccc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1)N1CCCc2ccccc21 ZINC000183047608 822417303 /nfs/dbraw/zinc/41/73/03/822417303.db2.gz QGYGFLLOUJWXJK-DHIUTWEWSA-N 1 0 389.543 4.247 20 0 GIADRO COCc1noc([C@@H](C)[NH2+]CC2(c3cccc(C(F)(F)F)c3)CCCC2)n1 ZINC000183048982 822417488 /nfs/dbraw/zinc/41/74/88/822417488.db2.gz IDAQOMMTFZDNKM-CYBMUJFWSA-N 1 0 383.414 4.397 20 0 GIADRO COc1cc(-c2ccccc2)ccc1C[NH2+]C1CCN(C(=O)CC(C)C)CC1 ZINC000183056685 822418306 /nfs/dbraw/zinc/41/83/06/822418306.db2.gz OFCJCMKAABHIAT-UHFFFAOYSA-N 1 0 380.532 4.489 20 0 GIADRO Cc1nc(C(F)(F)F)ccc1C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000178889536 822419427 /nfs/dbraw/zinc/41/94/27/822419427.db2.gz JBVWJDNRTZWIRU-UHFFFAOYSA-N 1 0 383.458 4.137 20 0 GIADRO CC(C)OCCCNC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000045861995 822419542 /nfs/dbraw/zinc/41/95/42/822419542.db2.gz RGACRJXBQDPDRF-UHFFFAOYSA-N 1 0 383.536 4.030 20 0 GIADRO C[C@@H](CSCc1ccccc1)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000178915372 822421502 /nfs/dbraw/zinc/42/15/02/822421502.db2.gz PGHYVFFVSHEDRK-IBGZPJMESA-N 1 0 397.588 4.337 20 0 GIADRO CCCN(C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)[C@H]1CC[NH2+]C1 ZINC000178920858 822421876 /nfs/dbraw/zinc/42/18/76/822421876.db2.gz YJKIFQTWVJKRGD-AWEZNQCLSA-N 1 0 398.359 4.260 20 0 GIADRO O=C(NCC[C@@H]1CC[NH2+]C1)c1sc2cc(C(F)(F)F)ccc2c1Cl ZINC000178954113 822424451 /nfs/dbraw/zinc/42/44/51/822424451.db2.gz ZYZQYOSXCHGARQ-VIFPVBQESA-N 1 0 376.831 4.303 20 0 GIADRO C[S@](=O)C[C@@H]([NH2+]Cc1ccc(C(=O)Nc2ccccc2)cc1)c1ccccc1 ZINC000183141010 822430061 /nfs/dbraw/zinc/43/00/61/822430061.db2.gz HHFHGEUVJXOXBR-DFHRPNOPSA-N 1 0 392.524 4.148 20 0 GIADRO C[N@@H+](Cc1cccc2cnccc21)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000183140938 822430098 /nfs/dbraw/zinc/43/00/98/822430098.db2.gz VJZDNUUPCWSTGU-GOSISDBHSA-N 1 0 390.405 4.125 20 0 GIADRO COC1CCC([NH2+]CCc2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)CC1 ZINC000183141834 822430240 /nfs/dbraw/zinc/43/02/40/822430240.db2.gz DVVGFTFDQOTUIL-UHFFFAOYSA-N 1 0 396.531 4.102 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2F)cc1 ZINC000183144259 822430532 /nfs/dbraw/zinc/43/05/32/822430532.db2.gz UHXUPYWSTFCYRF-CYBMUJFWSA-N 1 0 386.858 4.263 20 0 GIADRO CCC(=O)Nc1ccc(NC(=O)NCc2cccc(C[NH+](CC)CC)c2)cc1 ZINC000045986582 822430634 /nfs/dbraw/zinc/43/06/34/822430634.db2.gz MVIWBMBCTNYKSO-UHFFFAOYSA-N 1 0 382.508 4.199 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)NCc2ccc(Oc3ccc(F)cc3)nc2)c1 ZINC000045992518 822431990 /nfs/dbraw/zinc/43/19/90/822431990.db2.gz FNZTXCVICXAWKN-UHFFFAOYSA-N 1 0 394.450 4.396 20 0 GIADRO CC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(-n3ccnc3C)cc2)cc1 ZINC000183152808 822432232 /nfs/dbraw/zinc/43/22/32/822432232.db2.gz ARYPWPNEIUXNAC-HOTGVXAUSA-N 1 0 390.487 4.061 20 0 GIADRO c1nn(Cc2ccncc2)cc1N[C@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000183160857 822433493 /nfs/dbraw/zinc/43/34/93/822433493.db2.gz HXVAGRBTDFAIPL-QTJGBDASSA-N 1 0 387.531 4.039 20 0 GIADRO CCOC(=O)N1CCC([NH2+]CCc2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000179049476 822433502 /nfs/dbraw/zinc/43/35/02/822433502.db2.gz FRQBPONGPBHWHN-UHFFFAOYSA-N 1 0 393.940 4.217 20 0 GIADRO CC(C)CCOc1ccc(C[NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 ZINC000179058819 822434304 /nfs/dbraw/zinc/43/43/04/822434304.db2.gz CTFZULPINILYOM-QFIPXVFZSA-N 1 0 380.532 4.250 20 0 GIADRO C[NH+](C)CCN(Cc1cccs1)C(=O)CC1CCC(C(F)(F)F)CC1 ZINC000183166333 822434392 /nfs/dbraw/zinc/43/43/92/822434392.db2.gz HCCFBOPMSJEUTL-UHFFFAOYSA-N 1 0 376.488 4.397 20 0 GIADRO CCc1nn(C)c(CC)c1C[NH2+]Cc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000179078819 822436127 /nfs/dbraw/zinc/43/61/27/822436127.db2.gz YOGVXXFILIIVHG-UHFFFAOYSA-N 1 0 394.494 4.226 20 0 GIADRO CC[NH+]1CCN(Cc2ccc(N[C@@H](C)c3ccc(OC)c(COC)c3)cc2)CC1 ZINC000183181973 822436970 /nfs/dbraw/zinc/43/69/70/822436970.db2.gz RNRRZZAIIDKWLI-IBGZPJMESA-N 1 0 397.563 4.152 20 0 GIADRO COc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@@H](c2ccccc2)C2CC2)c(OC)c1 ZINC000179107701 822438810 /nfs/dbraw/zinc/43/88/10/822438810.db2.gz JNUMOYIHZQBQRV-QPPBQGQZSA-N 1 0 394.515 4.108 20 0 GIADRO O=C(c1nc2cc(Cl)ccc2s1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000454208235 822439075 /nfs/dbraw/zinc/43/90/75/822439075.db2.gz LWMXWDOSPGZNPP-LRDDRELGSA-N 1 0 375.925 4.039 20 0 GIADRO COc1ccc(-c2csc(CNC(=O)N3CCC[C@@H]4C[N@H+](C)CC[C@H]43)c2)cc1 ZINC000183197115 822439836 /nfs/dbraw/zinc/43/98/36/822439836.db2.gz PWAVWNUPZPSLIY-DYESRHJHSA-N 1 0 399.560 4.049 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1ccc(Cl)nc1 ZINC000179132517 822441522 /nfs/dbraw/zinc/44/15/22/822441522.db2.gz QKHCHURAWJBJSM-MLGOLLRUSA-N 1 0 395.837 4.183 20 0 GIADRO CCc1ccc(Cl)c(CC)c1NC(=O)NC(C)(C)CN1CC[NH+](CC)CC1 ZINC000454233718 822441692 /nfs/dbraw/zinc/44/16/92/822441692.db2.gz XIEDYVBUUHNAKR-UHFFFAOYSA-N 1 0 394.991 4.002 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H]1c1ccc(F)cc1F)c1ccsc1 ZINC000454237854 822442222 /nfs/dbraw/zinc/44/22/22/822442222.db2.gz LODUMUIPFRLMSF-QZTJIDSGSA-N 1 0 379.476 4.176 20 0 GIADRO Cc1cccc(COc2ccc([C@H](C)[NH2+]C3CCN(C(=O)N(C)C)CC3)cc2)c1 ZINC000183212696 822442525 /nfs/dbraw/zinc/44/25/25/822442525.db2.gz NDSQIVJSOOFKIF-IBGZPJMESA-N 1 0 395.547 4.371 20 0 GIADRO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)N(CCC[NH3+])c1cccc(F)c1 ZINC000183219308 822443367 /nfs/dbraw/zinc/44/33/67/822443367.db2.gz FJGXJQBONBCUBZ-CQSZACIVSA-N 1 0 397.416 4.417 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)Nc1ccc(Br)cc1Cl ZINC000454255254 822444105 /nfs/dbraw/zinc/44/41/05/822444105.db2.gz NCKBWNYQTRKAKT-UHFFFAOYSA-N 1 0 376.726 4.344 20 0 GIADRO O=C(Nc1cc(Cl)ccc1N1CCCCC1)NC1CC[NH+](C2CCC2)CC1 ZINC000454258678 822444858 /nfs/dbraw/zinc/44/48/58/822444858.db2.gz FQUCICCWIDARSR-UHFFFAOYSA-N 1 0 390.959 4.469 20 0 GIADRO CCCc1ncc(CNC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)o1 ZINC000454264274 822446019 /nfs/dbraw/zinc/44/60/19/822446019.db2.gz LOVFCHRDNCUGPR-QGZVFWFLSA-N 1 0 384.524 4.001 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1)c1cccc(F)c1F ZINC000183241457 822446920 /nfs/dbraw/zinc/44/69/20/822446920.db2.gz SBLOZJVORASGSM-JYJNAYRXSA-N 1 0 388.458 4.065 20 0 GIADRO CCOCc1ccc(CNC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000046177694 822447318 /nfs/dbraw/zinc/44/73/18/822447318.db2.gz KJHNCNUTCOACAA-UHFFFAOYSA-N 1 0 387.568 4.021 20 0 GIADRO O=C1[C@H]([NH2+][C@@H]2CCCc3cc(SC(F)F)ccc32)CCN1CC(F)(F)F ZINC000183249368 822448357 /nfs/dbraw/zinc/44/83/57/822448357.db2.gz XTBIVMOCQWVSEO-ZIAGYGMSSA-N 1 0 394.409 4.132 20 0 GIADRO CCO[C@@H]1CCN(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)C[C@H]1C ZINC000454276077 822448508 /nfs/dbraw/zinc/44/85/08/822448508.db2.gz XHLYYRCERRRQMN-XQBPLPMBSA-N 1 0 387.568 4.018 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000454276803 822448786 /nfs/dbraw/zinc/44/87/86/822448786.db2.gz NSUXUPYJUXIPOZ-NRFANRHFSA-N 1 0 394.519 4.099 20 0 GIADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)NCc2cnc(C3CC3)o2)C1 ZINC000454277322 822449012 /nfs/dbraw/zinc/44/90/12/822449012.db2.gz VQWRMNBLYWIZIF-IAGOWNOFSA-N 1 0 396.535 4.029 20 0 GIADRO C[C@H](C[N@H+](C)CC1=Cc2cc(Br)ccc2OC1)c1nccs1 ZINC000183260787 822450126 /nfs/dbraw/zinc/45/01/26/822450126.db2.gz ACXZPCJCFPGHEJ-GFCCVEGCSA-N 1 0 379.323 4.417 20 0 GIADRO C[C@H]([NH2+]CC1(c2ccccc2)CCOCC1)c1ncc(Br)s1 ZINC000179203488 822450315 /nfs/dbraw/zinc/45/03/15/822450315.db2.gz XOLZRQTUBADZFL-ZDUSSCGKSA-N 1 0 381.339 4.305 20 0 GIADRO C[C@H]1C[C@H](c2cccnc2)N(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000183264112 822450534 /nfs/dbraw/zinc/45/05/34/822450534.db2.gz DSODIKWULHWVCX-LAUBAEHRSA-N 1 0 398.576 4.148 20 0 GIADRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1cnc2ccc(F)cc2c1 ZINC000179215494 822452575 /nfs/dbraw/zinc/45/25/75/822452575.db2.gz UAINKYXZJLZTQD-UHFFFAOYSA-N 1 0 395.503 4.483 20 0 GIADRO C[C@H](C[NH2+][C@H](C)c1ncc(Br)s1)N1CCc2sccc2C1 ZINC000179215728 822452630 /nfs/dbraw/zinc/45/26/30/822452630.db2.gz SVQQDQNSFRHQAA-GHMZBOCLSA-N 1 0 386.384 4.065 20 0 GIADRO COc1cccc([C@@H](C[NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)N(C)C)c1 ZINC000183281113 822453021 /nfs/dbraw/zinc/45/30/21/822453021.db2.gz LHPKFZLVFFQADU-PKTZIBPZSA-N 1 0 379.479 4.211 20 0 GIADRO COc1ccc(C[C@@H](C)[NH2+][C@@H](C)c2ncc(Br)s2)cc1OC ZINC000179227393 822454004 /nfs/dbraw/zinc/45/40/04/822454004.db2.gz UJHXGWYECQQUCM-MNOVXSKESA-N 1 0 385.327 4.205 20 0 GIADRO CCC1(COC(=O)CCc2c(C)noc2C)CC[NH+](Cc2ccccc2)CC1 ZINC000183296481 822454907 /nfs/dbraw/zinc/45/49/07/822454907.db2.gz XHZOKFOFBJLJAZ-UHFFFAOYSA-N 1 0 384.520 4.460 20 0 GIADRO C[C@H]([NH2+]CCc1ccn(-c2ccc(F)cc2)n1)c1ncc(Br)s1 ZINC000179234815 822455149 /nfs/dbraw/zinc/45/51/49/822455149.db2.gz RMASHGDGPMRHSU-NSHDSACASA-N 1 0 395.301 4.124 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)N(Cc1ccc(C)o1)C1CC1)c1ccsc1 ZINC000046253839 822455650 /nfs/dbraw/zinc/45/56/50/822455650.db2.gz MRZAJMPZVFYMQT-IBGZPJMESA-N 1 0 375.538 4.407 20 0 GIADRO COc1ccc([C@H](CCO)[NH2+][C@H](C)c2cc(Br)ccc2F)cc1 ZINC000179249632 822457181 /nfs/dbraw/zinc/45/71/81/822457181.db2.gz JAMMGMHKBYLMSV-XIKOKIGWSA-N 1 0 382.273 4.371 20 0 GIADRO C[C@@H](c1nc2ccccc2s1)N(C)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000046281769 822457716 /nfs/dbraw/zinc/45/77/16/822457716.db2.gz XSNGIJFQPSJYQC-INIZCTEOSA-N 1 0 394.544 4.057 20 0 GIADRO 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 822458132 /nfs/dbraw/zinc/45/81/32/822458132.db2.gz OGXDZQKBBHFVGX-YYIAUSFCSA-N 1 0 377.495 4.117 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)N2CC[C@H](C(F)(F)F)C[C@@H]2C)CC1 ZINC000454326838 822458203 /nfs/dbraw/zinc/45/82/03/822458203.db2.gz YBWWMFVNCGREPV-WMZOPIPTSA-N 1 0 397.485 4.332 20 0 GIADRO C[C@H]([NH2+]C[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)c1cccc(CO)c1 ZINC000183317465 822458308 /nfs/dbraw/zinc/45/83/08/822458308.db2.gz RVGXNKIVWJPRIJ-FIKMYACPSA-N 1 0 376.903 4.315 20 0 GIADRO COc1cc(CN(C)C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)ccc1SC ZINC000179274112 822459688 /nfs/dbraw/zinc/45/96/88/822459688.db2.gz VDKCKXWUMRKWNI-RXVVDRJESA-N 1 0 399.560 4.004 20 0 GIADRO COc1cc(CN(C)C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)ccc1SC ZINC000179274126 822459792 /nfs/dbraw/zinc/45/97/92/822459792.db2.gz VDKCKXWUMRKWNI-NQIIRXRSSA-N 1 0 399.560 4.004 20 0 GIADRO C[C@H]([NH2+]CCOc1c(Cl)cc(Br)cc1Cl)c1cnn(C)c1 ZINC000183330756 822459844 /nfs/dbraw/zinc/45/98/44/822459844.db2.gz NSMOTVAUCBOGTB-VIFPVBQESA-N 1 0 393.112 4.219 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1)c1cccc(N2CCOC2=O)c1 ZINC000183335421 822460519 /nfs/dbraw/zinc/46/05/19/822460519.db2.gz OGZGRXNAAZYNQL-QAPCUYQASA-N 1 0 385.895 4.226 20 0 GIADRO CC(C)[NH+]1CCC(NC(=O)C2(c3ccc(Br)cc3)CCCC2)CC1 ZINC000046319705 822461136 /nfs/dbraw/zinc/46/11/36/822461136.db2.gz KIZVGUSPXCCLJE-UHFFFAOYSA-N 1 0 393.369 4.250 20 0 GIADRO CCn1cc([C@@H](C)NC(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)cn1 ZINC000454355856 822461332 /nfs/dbraw/zinc/46/13/32/822461332.db2.gz ATSLJEJCGPNOBK-GOSISDBHSA-N 1 0 397.567 4.228 20 0 GIADRO C[N@H+](Cc1ccccc1CNC(=O)N1CCC[C@@]2(CCOC2)C1)C1CCCCC1 ZINC000454360332 822461747 /nfs/dbraw/zinc/46/17/47/822461747.db2.gz INPNVRFKSFHFEG-XMMPIXPASA-N 1 0 399.579 4.163 20 0 GIADRO COc1ccccc1[C@@H](NC(=O)Nc1cccc(C[NH+](C)C)c1)c1ccccn1 ZINC000179295518 822462340 /nfs/dbraw/zinc/46/23/40/822462340.db2.gz UMQDYCRIOWVGDE-JOCHJYFZSA-N 1 0 390.487 4.063 20 0 GIADRO COc1ccccc1[C@H](NC(=O)Nc1cccc(C[NH+](C)C)c1)c1ccccn1 ZINC000179295507 822462415 /nfs/dbraw/zinc/46/24/15/822462415.db2.gz UMQDYCRIOWVGDE-QFIPXVFZSA-N 1 0 390.487 4.063 20 0 GIADRO CS(=O)(=O)C1CCC([NH2+]Cc2ccc(Sc3ccccc3)cc2)CC1 ZINC000179305712 822463564 /nfs/dbraw/zinc/46/35/64/822463564.db2.gz WIDRZPRTZDYGRN-UHFFFAOYSA-N 1 0 375.559 4.283 20 0 GIADRO Fc1ccc(Br)c2c1CC[C@@H]2[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000179314794 822464768 /nfs/dbraw/zinc/46/47/68/822464768.db2.gz BHGVUWNLBIZWQO-AWEZNQCLSA-N 1 0 395.238 4.192 20 0 GIADRO OCC[C@H](C[NH2+][C@@H]1CCc2c1c(Br)ccc2F)c1ccccc1 ZINC000179318810 822465547 /nfs/dbraw/zinc/46/55/47/822465547.db2.gz IEPCRFHJEXBMEY-RDTXWAMCSA-N 1 0 378.285 4.331 20 0 GIADRO CC1(CNC(=O)[C@@H](Sc2cc(F)ccc2F)c2ccccc2)CC[NH2+]CC1 ZINC000183380119 822466209 /nfs/dbraw/zinc/46/62/09/822466209.db2.gz ZPUCLWHDGYLGDF-IBGZPJMESA-N 1 0 390.499 4.304 20 0 GIADRO O=C(Cc1csc(-c2ccccc2)n1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000046374778 822467167 /nfs/dbraw/zinc/46/71/67/822467167.db2.gz JRPQHUHYEACZSZ-UHFFFAOYSA-N 1 0 391.540 4.265 20 0 GIADRO CC(C)C(=O)Nc1ccc(C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000183394543 822467889 /nfs/dbraw/zinc/46/78/89/822467889.db2.gz VBXTZCHIAUZYGR-SFHVURJKSA-N 1 0 389.540 4.160 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000183411954 822470516 /nfs/dbraw/zinc/47/05/16/822470516.db2.gz JYBXYKBUXGZPTM-JOCHJYFZSA-N 1 0 388.515 4.039 20 0 GIADRO CC[C@H](C)c1ccccc1OCC(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000046404053 822470588 /nfs/dbraw/zinc/47/05/88/822470588.db2.gz YIKSGAUAXXKRMQ-IBGZPJMESA-N 1 0 395.547 4.360 20 0 GIADRO Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1OCC(=O)N1CCCC1)CCC2 ZINC000179361447 822471286 /nfs/dbraw/zinc/47/12/86/822471286.db2.gz SZUAPDBYKZJZMS-JOCHJYFZSA-N 1 0 378.516 4.163 20 0 GIADRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000454412157 822471519 /nfs/dbraw/zinc/47/15/19/822471519.db2.gz UUFNZEJSBMKORV-HXUWFJFHSA-N 1 0 399.560 4.490 20 0 GIADRO Cc1ccccc1CCN(C)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000454413309 822471682 /nfs/dbraw/zinc/47/16/82/822471682.db2.gz LXKYBHBQNHBOFI-LJQANCHMSA-N 1 0 385.577 4.153 20 0 GIADRO CCO[C@@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C[C@@H]1C ZINC000454415547 822471942 /nfs/dbraw/zinc/47/19/42/822471942.db2.gz ZPHHPKNBBBDLLK-SIKLNZKXSA-N 1 0 387.568 4.019 20 0 GIADRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)N(Cc1ccco1)Cc1ccco1 ZINC000046428873 822472406 /nfs/dbraw/zinc/47/24/06/822472406.db2.gz VBOBSIOFWKKTNI-UHFFFAOYSA-N 1 0 393.487 4.033 20 0 GIADRO CC(=O)N(c1nc(CN2CCC[N@@H+](C3CC3)CC2)cs1)c1cccc(C)c1C ZINC000179374460 822473072 /nfs/dbraw/zinc/47/30/72/822473072.db2.gz WEETWXBQZQVWIW-UHFFFAOYSA-N 1 0 398.576 4.115 20 0 GIADRO CC(=O)c1ccc(Oc2ccc(C(=O)NC3CC[NH+](CC4CC4)CC3)cc2)cc1 ZINC000179389276 822475607 /nfs/dbraw/zinc/47/56/07/822475607.db2.gz IKTIKMNDIAKULE-UHFFFAOYSA-N 1 0 392.499 4.286 20 0 GIADRO CC[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1cc(C)ccc1OC ZINC000179404468 822478022 /nfs/dbraw/zinc/47/80/22/822478022.db2.gz BURQVYRUUTYFBX-OXJNMPFZSA-N 1 0 390.549 4.056 20 0 GIADRO CC[C@@H]([NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1cc(C)ccc1OC ZINC000179407233 822478368 /nfs/dbraw/zinc/47/83/68/822478368.db2.gz QYUKVQVEMYCGBX-IRLDBZIGSA-N 1 0 382.504 4.362 20 0 GIADRO CC(C)(C)Oc1c(F)cc(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1F ZINC000183467905 822479627 /nfs/dbraw/zinc/47/96/27/822479627.db2.gz BMUOOTPVFIGLGI-AWEZNQCLSA-N 1 0 381.467 4.092 20 0 GIADRO Cc1cc2ncc([C@H](C)[NH2+]Cc3ccnc(O[C@H](C)CC(C)C)c3)c(C)n2n1 ZINC000179427832 822481018 /nfs/dbraw/zinc/48/10/18/822481018.db2.gz AGQDKCBICQJFLE-SJORKVTESA-N 1 0 381.524 4.405 20 0 GIADRO C[C@@H](NC(=O)Nc1cc(Br)ccc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183480050 822482578 /nfs/dbraw/zinc/48/25/78/822482578.db2.gz DDPSFUQYZGIBBE-OLZOCXBDSA-N 1 0 398.320 4.363 20 0 GIADRO Cc1ccc([C@H](C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)N2CCCC2)o1 ZINC000183480164 822482621 /nfs/dbraw/zinc/48/26/21/822482621.db2.gz ZWPHOEXIYNWOKG-OALUTQOASA-N 1 0 391.556 4.104 20 0 GIADRO C[NH+](C)CCOc1cccc(NC(=O)N2CCC[C@H]2c2ccc(F)cc2F)c1 ZINC000454486539 822482977 /nfs/dbraw/zinc/48/29/77/822482977.db2.gz UJYPJYVPNCLWBG-FQEVSTJZSA-N 1 0 389.446 4.274 20 0 GIADRO C[NH+](C)CCOc1cccc(NC(=O)N2CCC[C@@H]2c2ccc(F)cc2F)c1 ZINC000454486540 822482985 /nfs/dbraw/zinc/48/29/85/822482985.db2.gz UJYPJYVPNCLWBG-HXUWFJFHSA-N 1 0 389.446 4.274 20 0 GIADRO Cc1nn(C)c(C)c1CCC[NH2+][C@H](C)c1cnn(-c2cccc(Cl)c2)c1C ZINC000183490543 822484589 /nfs/dbraw/zinc/48/45/89/822484589.db2.gz XXPFGCNKRPEIIZ-CQSZACIVSA-N 1 0 385.943 4.468 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)c1cc2cc(Cl)ccc2[nH]1)[NH+]1CCCC1 ZINC000046541825 822484620 /nfs/dbraw/zinc/48/46/20/822484620.db2.gz GABGWABYQDUXJX-HXUWFJFHSA-N 1 0 397.906 4.397 20 0 GIADRO Cc1csc([C@@H](C)CNC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)n1 ZINC000183493485 822485261 /nfs/dbraw/zinc/48/52/61/822485261.db2.gz MXQQQNFFUMIMBZ-DOTOQJQBSA-N 1 0 386.565 4.080 20 0 GIADRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]CCc2nc(C(C)(C)C)cs2)CC1 ZINC000183497844 822486317 /nfs/dbraw/zinc/48/63/17/822486317.db2.gz OYMPYSQMWYEAIL-OAHLLOKOSA-N 1 0 381.586 4.362 20 0 GIADRO COC(=O)COc1ccccc1[C@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000183509640 822487867 /nfs/dbraw/zinc/48/78/67/822487867.db2.gz WYNSAYIZWSSLBN-KBPBESRZSA-N 1 0 392.293 4.413 20 0 GIADRO C[C@H](C[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1)c1nc(-c2ccccc2)no1 ZINC000179479647 822488737 /nfs/dbraw/zinc/48/87/37/822488737.db2.gz SPECQGUJBRVXCN-HZPDHXFCSA-N 1 0 392.459 4.148 20 0 GIADRO CC[C@H](C)[NH+]1CCN(C(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)CC1 ZINC000454515348 822488716 /nfs/dbraw/zinc/48/87/16/822488716.db2.gz GMRBOKSFKNOHQK-INIZCTEOSA-N 1 0 398.482 4.026 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000454515703 822488983 /nfs/dbraw/zinc/48/89/83/822488983.db2.gz KSHYAWAWCUUDOP-JZWVFAODSA-N 1 0 377.532 4.315 20 0 GIADRO Cc1cc(C(=O)C[N@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)c(C)n1Cc1cccs1 ZINC000179482120 822489336 /nfs/dbraw/zinc/48/93/36/822489336.db2.gz BXPJPIMDJQVRAX-IIBYNOLFSA-N 1 0 396.560 4.177 20 0 GIADRO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2Br)[C@@H]1c1ccccc1 ZINC000179483918 822489567 /nfs/dbraw/zinc/48/95/67/822489567.db2.gz ZZKKNNRQMPDRFV-IRXDYDNUSA-N 1 0 392.272 4.155 20 0 GIADRO Cc1ccc(NC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1-c1ncco1 ZINC000183526838 822490028 /nfs/dbraw/zinc/49/00/28/822490028.db2.gz COZWGFLJUAZZTR-IAGOWNOFSA-N 1 0 382.508 4.425 20 0 GIADRO CC(C)Oc1ccc([C@H](C)NC(=O)N2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000179496987 822491225 /nfs/dbraw/zinc/49/12/25/822491225.db2.gz JOPKAAKUKDJZFL-SFHVURJKSA-N 1 0 375.557 4.298 20 0 GIADRO C[C@H]([NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(Br)cc1 ZINC000179497457 822491443 /nfs/dbraw/zinc/49/14/43/822491443.db2.gz BGPHSXVUWZUWHH-DOTOQJQBSA-N 1 0 387.321 4.148 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1ccc(-n2cccn2)cc1 ZINC000183538922 822491967 /nfs/dbraw/zinc/49/19/67/822491967.db2.gz PZQUGDIDQLVCDQ-IEBWSBKVSA-N 1 0 384.524 4.313 20 0 GIADRO COc1ccccc1OC[C@H](C)C[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000179513294 822494126 /nfs/dbraw/zinc/49/41/26/822494126.db2.gz IZDPXYGAHZMJMG-SJORKVTESA-N 1 0 384.476 4.018 20 0 GIADRO COc1ccccc1OC[C@@H](C)C[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000179513284 822494140 /nfs/dbraw/zinc/49/41/40/822494140.db2.gz IZDPXYGAHZMJMG-IRXDYDNUSA-N 1 0 384.476 4.018 20 0 GIADRO Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000183556183 822494387 /nfs/dbraw/zinc/49/43/87/822494387.db2.gz NWGKIPZJAJUXQX-SFTDATJTSA-N 1 0 395.551 4.019 20 0 GIADRO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H](C)c1cccc(Cl)c1Cl ZINC000179517562 822495575 /nfs/dbraw/zinc/49/55/75/822495575.db2.gz JHOWCGZKBHFPPX-OLZOCXBDSA-N 1 0 376.287 4.443 20 0 GIADRO CCn1nc(C)c(NC(=O)NC[C@H](c2ccccc2Cl)[NH+](CC)CC)c1C ZINC000179520086 822495927 /nfs/dbraw/zinc/49/59/27/822495927.db2.gz OTQGGNWGTVGGIW-GOSISDBHSA-N 1 0 391.947 4.378 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)cc1OC ZINC000179523050 822496589 /nfs/dbraw/zinc/49/65/89/822496589.db2.gz GMAWUFSSJNWFOE-WMHILYHISA-N 1 0 376.447 4.078 20 0 GIADRO Cc1c2ccccc2oc1[C@H](C)[NH2+]CC(=O)Nc1ccccc1C(=O)NC(C)C ZINC000183579475 822497058 /nfs/dbraw/zinc/49/70/58/822497058.db2.gz OKAJAUGNGYTEHZ-INIZCTEOSA-N 1 0 393.487 4.169 20 0 GIADRO O=C(CCc1ccc(O)cc1)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000183581980 822497618 /nfs/dbraw/zinc/49/76/18/822497618.db2.gz LRXBFXROOGHWOX-UHFFFAOYSA-N 1 0 386.923 4.007 20 0 GIADRO CC(C)Oc1ccc([C@H](C)[NH2+]Cc2nc(=O)c3c4c(sc3[nH]2)CCC4)cc1 ZINC000179528937 822497676 /nfs/dbraw/zinc/49/76/76/822497676.db2.gz MYVAJVAOUMALDP-ZDUSSCGKSA-N 1 0 383.517 4.111 20 0 GIADRO CCCC[N@H+](CC)Cc1cccc(CNC(=O)Nc2c(C)nn(CC)c2C)c1 ZINC000179529050 822497710 /nfs/dbraw/zinc/49/77/10/822497710.db2.gz VJNLEULAVHSSTB-UHFFFAOYSA-N 1 0 385.556 4.464 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)c1ccccc1Br)c1cccc(-n2cccn2)c1 ZINC000183590169 822498309 /nfs/dbraw/zinc/49/83/09/822498309.db2.gz HXRXXJHZDXJJEI-LIRRHRJNSA-N 1 0 386.293 4.019 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1ccccc1C(F)(F)F)c1cccc(-n2cccn2)c1 ZINC000183592674 822498478 /nfs/dbraw/zinc/49/84/78/822498478.db2.gz SAOMTPBPWHEXAM-AWEZNQCLSA-N 1 0 388.393 4.180 20 0 GIADRO Cc1cccc([C@H]([NH2+][C@@H](C)Cn2cc(Br)cn2)c2ccccn2)c1 ZINC000179533648 822498657 /nfs/dbraw/zinc/49/86/57/822498657.db2.gz GOOSFBRDXLHREC-KXBFYZLASA-N 1 0 385.309 4.117 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)c1ccccc1C(F)(F)F)c1cccc(-n2cccn2)c1 ZINC000183593026 822498662 /nfs/dbraw/zinc/49/86/62/822498662.db2.gz YSZDCGXRFFGTBH-AUUYWEPGSA-N 1 0 375.394 4.275 20 0 GIADRO Cc1cccc([C@@H]([NH2+][C@H](C)Cn2cc(Br)cn2)c2ccccn2)c1 ZINC000179533677 822498743 /nfs/dbraw/zinc/49/87/43/822498743.db2.gz GOOSFBRDXLHREC-DNVCBOLYSA-N 1 0 385.309 4.117 20 0 GIADRO COC[C@@H](O)CC[NH2+][C@@H](C)c1ccc(-c2ccccc2Br)s1 ZINC000179537689 822499480 /nfs/dbraw/zinc/49/94/80/822499480.db2.gz ZWWKVZHBNJIOTJ-STQMWFEESA-N 1 0 384.339 4.226 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1cnc2ccc(F)cc2c1 ZINC000179538793 822499685 /nfs/dbraw/zinc/49/96/85/822499685.db2.gz ONTDSHUYHXTCSF-QGZVFWFLSA-N 1 0 377.463 4.111 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1Cl)c1cccc(-n2cccn2)c1 ZINC000183600853 822499774 /nfs/dbraw/zinc/49/97/74/822499774.db2.gz VUWUHEBKERUCPH-CYBMUJFWSA-N 1 0 389.286 4.468 20 0 GIADRO C[C@H](NC(=O)C[NH2+][C@@H](C)c1cccc(-n2cccn2)c1)c1ccccc1Cl ZINC000183602848 822499914 /nfs/dbraw/zinc/49/99/14/822499914.db2.gz KQORGZPLEBNOIW-HOTGVXAUSA-N 1 0 382.895 4.054 20 0 GIADRO C[C@@H](OC[C@@H](O)C[NH2+][C@@H](C)c1cccc(-n2cccn2)c1)c1ccc(Cl)cc1 ZINC000183603495 822500138 /nfs/dbraw/zinc/50/01/38/822500138.db2.gz NNZIUBISIVAVAO-JKSBSHDWSA-N 1 0 399.922 4.315 20 0 GIADRO CCC[C@H]1C[C@H](C(=O)Nc2cc(C[NH+]3CCSCC3)ccc2C)CCO1 ZINC000183616616 822501932 /nfs/dbraw/zinc/50/19/32/822501932.db2.gz LDJXTRZQKPWGQN-MOPGFXCFSA-N 1 0 376.566 4.078 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1cccc(NC(=O)NC(C)C)c1)c1ccccc1 ZINC000046671995 822501975 /nfs/dbraw/zinc/50/19/75/822501975.db2.gz AZDBXYSOVPOAGT-OAQYLSRUSA-N 1 0 396.535 4.029 20 0 GIADRO C[C@H]([NH2+][C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1)c1ccccc1N(C)C ZINC000179554750 822502610 /nfs/dbraw/zinc/50/26/10/822502610.db2.gz ZOZJKTUXJUAWKO-SSKFGXFMSA-N 1 0 387.955 4.129 20 0 GIADRO Cc1ccc2c(c1)[C@@H](NC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)CCC2 ZINC000179569827 822505160 /nfs/dbraw/zinc/50/51/60/822505160.db2.gz GQLCBXSTNKFDCS-QFIPXVFZSA-N 1 0 381.520 4.271 20 0 GIADRO C[C@H](CCNC(=O)N1C[C@H](C)C[C@@H]1c1cccnc1)[N@H+](C)Cc1ccccc1 ZINC000183643036 822505341 /nfs/dbraw/zinc/50/53/41/822505341.db2.gz NXXQKOITRIOCKJ-WOIUINJBSA-N 1 0 380.536 4.085 20 0 GIADRO CC[C@@H](NC(=O)N1CCC[N@H+](Cc2ccccc2)CC1)c1ccccc1OC ZINC000046688835 822505685 /nfs/dbraw/zinc/50/56/85/822505685.db2.gz SUVMCIQXKNLVDJ-OAQYLSRUSA-N 1 0 381.520 4.064 20 0 GIADRO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000179576940 822506086 /nfs/dbraw/zinc/50/60/86/822506086.db2.gz CYOCEGHGSRQVMZ-UONOGXRCSA-N 1 0 380.410 4.297 20 0 GIADRO C[C@@H](NC(=O)Nc1ccc(F)cc1OCC(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183654445 822506559 /nfs/dbraw/zinc/50/65/59/822506559.db2.gz NACPSAJOHDWNRH-KGLIPLIRSA-N 1 0 399.457 4.244 20 0 GIADRO Cc1cc(NC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)nn1-c1cccc(F)c1 ZINC000183656957 822506701 /nfs/dbraw/zinc/50/67/01/822506701.db2.gz KAHQWBSMZQCWKB-IAGOWNOFSA-N 1 0 399.514 4.094 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(c2c(F)cccc2F)C1=O)c1cccc(OC(F)F)c1 ZINC000179582257 822506816 /nfs/dbraw/zinc/50/68/16/822506816.db2.gz NAOSAGCUOVAJSA-MEDUHNTESA-N 1 0 382.357 4.022 20 0 GIADRO CC[C@@H](C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C)c1ccc(OC)cc1 ZINC000179584716 822507037 /nfs/dbraw/zinc/50/70/37/822507037.db2.gz KODJZGNARLKMCG-JOCHJYFZSA-N 1 0 395.547 4.278 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000179584738 822507063 /nfs/dbraw/zinc/50/70/63/822507063.db2.gz SWYFTZZFOFTTMO-NSHDSACASA-N 1 0 384.810 4.239 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@H]1CSc2ccccc21 ZINC000454619259 822507597 /nfs/dbraw/zinc/50/75/97/822507597.db2.gz NZJSBOVJZLKDOL-LMNJBCLMSA-N 1 0 395.572 4.086 20 0 GIADRO C[C@H]1CN(C(=O)Nc2cccc(N3CCCC3)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000454620064 822507749 /nfs/dbraw/zinc/50/77/49/822507749.db2.gz OSVRYAPNWXTYHU-HXUWFJFHSA-N 1 0 392.547 4.273 20 0 GIADRO C[C@@H]([NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1)c1ccc(-n2cnnn2)cc1 ZINC000179589043 822508011 /nfs/dbraw/zinc/50/80/11/822508011.db2.gz ZRLVHBMTBUFPON-SJKOYZFVSA-N 1 0 379.361 4.146 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1)c1ccsc1 ZINC000454621321 822508036 /nfs/dbraw/zinc/50/80/36/822508036.db2.gz RRZZCVHYCCATRX-BBWFWOEESA-N 1 0 393.350 4.033 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1nc(-c2ccco2)cs1)c1cccc(OC(F)F)c1 ZINC000179589489 822508149 /nfs/dbraw/zinc/50/81/49/822508149.db2.gz PMARHMAIJQNJCW-LLVKDONJSA-N 1 0 393.415 4.294 20 0 GIADRO Cc1cccc(C(C)(C)[NH2+]CC(=O)Nc2c(F)cc(F)cc2Br)c1 ZINC000179591987 822508723 /nfs/dbraw/zinc/50/87/23/822508723.db2.gz JDYNIUOQXWNXKU-UHFFFAOYSA-N 1 0 397.263 4.499 20 0 GIADRO O=C(NCCCCC[NH+]1CCCC1)Nc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000454630318 822509266 /nfs/dbraw/zinc/50/92/66/822509266.db2.gz KSESRAWUOIKNGA-UHFFFAOYSA-N 1 0 394.519 4.327 20 0 GIADRO CC(C)C[C@H]([NH2+][C@H](C)c1cnn(Cc2ccccc2)c1)C(=O)Nc1nccs1 ZINC000179599450 822510034 /nfs/dbraw/zinc/51/00/34/822510034.db2.gz ULQOSZJIEHKGMC-APWZRJJASA-N 1 0 397.548 4.092 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)c2ccc(Oc3ccccc3)nc2)cc1 ZINC000046724090 822510039 /nfs/dbraw/zinc/51/00/39/822510039.db2.gz NCXUWSVFFNNTDI-UHFFFAOYSA-N 1 0 377.444 4.067 20 0 GIADRO CC(C)C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCCO2)C(=O)Nc1nccs1 ZINC000179599667 822510199 /nfs/dbraw/zinc/51/01/99/822510199.db2.gz QAOLQYFSJDUIKE-GOEBONIOSA-N 1 0 389.521 4.008 20 0 GIADRO Cc1ccc(CN(C(=O)C[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)C2CC2)o1 ZINC000179600033 822510299 /nfs/dbraw/zinc/51/02/99/822510299.db2.gz LRIMYKWDDTWJKC-AWEZNQCLSA-N 1 0 378.419 4.031 20 0 GIADRO COc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(OC(F)F)cc2)cc1Cl ZINC000179602896 822510879 /nfs/dbraw/zinc/51/08/79/822510879.db2.gz BQYZILLXPVWSMM-LLVKDONJSA-N 1 0 384.810 4.239 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1ccccc1OC(F)F)c1ccc(OC(F)F)cc1 ZINC000179605730 822511261 /nfs/dbraw/zinc/51/12/61/822511261.db2.gz HBQKGJWLBNVXDE-NSHDSACASA-N 1 0 386.345 4.179 20 0 GIADRO CC1CC[NH+](CCCCNC(=O)N(C)Cc2ccccc2Br)CC1 ZINC000046738163 822511529 /nfs/dbraw/zinc/51/15/29/822511529.db2.gz HHMOCOVNQJCAPN-UHFFFAOYSA-N 1 0 396.373 4.103 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)[NH2+]CC(=O)NC2(c3ccccc3)CCC2)cc1 ZINC000183689279 822511899 /nfs/dbraw/zinc/51/18/99/822511899.db2.gz RSUFKJFDGMEIAS-SFHVURJKSA-N 1 0 388.515 4.027 20 0 GIADRO C[C@H]([NH2+]CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1)c1ccc(OC(F)F)cc1 ZINC000179608811 822512029 /nfs/dbraw/zinc/51/20/29/822512029.db2.gz OHLSKRQWOBHGHC-STQMWFEESA-N 1 0 398.400 4.436 20 0 GIADRO COC(=O)c1ccc(Cl)c(C[NH2+][C@H](C)c2ccc(-n3ccnc3C)cc2)c1 ZINC000183690284 822512087 /nfs/dbraw/zinc/51/20/87/822512087.db2.gz FOQSNQGOLMXSRP-CQSZACIVSA-N 1 0 383.879 4.472 20 0 GIADRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)c3cnn(CCC(F)(F)F)c3)c2C1 ZINC000183692873 822512554 /nfs/dbraw/zinc/51/25/54/822512554.db2.gz NOOVPOXUKLJGRW-UHFFFAOYSA-N 1 0 380.414 4.059 20 0 GIADRO COc1cc2c(cc1OC)C[N@H+](Cc1ccccc1N[C@@H]1CCSC1)CC2 ZINC000179616940 822513563 /nfs/dbraw/zinc/51/35/63/822513563.db2.gz UPIONAMODAJVII-LJQANCHMSA-N 1 0 384.545 4.180 20 0 GIADRO Cc1oc(-c2ccccc2)nc1C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000046756240 822513717 /nfs/dbraw/zinc/51/37/17/822513717.db2.gz YGRXMHKJWYNMNU-UHFFFAOYSA-N 1 0 377.488 4.420 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)CCC(=O)c1ccc2c(c1)CCC2 ZINC000046756719 822513769 /nfs/dbraw/zinc/51/37/69/822513769.db2.gz RFRFVWPGTVZCJC-UHFFFAOYSA-N 1 0 392.543 4.295 20 0 GIADRO CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+][C@H](c2ccccc2Cl)C(C)C)cc1 ZINC000183703740 822514246 /nfs/dbraw/zinc/51/42/46/822514246.db2.gz BWJUQUKTDGBRJM-UWJYYQICSA-N 1 0 390.911 4.025 20 0 GIADRO COc1cc(C)c([C@@H](C)[NH2+]CC(=O)N[C@@H](C)c2ccccc2Cl)cc1OC ZINC000179635072 822517018 /nfs/dbraw/zinc/51/70/18/822517018.db2.gz XINZQDGISSEFLM-CABCVRRESA-N 1 0 390.911 4.194 20 0 GIADRO Cc1nn(-c2ccccc2)cc1NC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000183724659 822517277 /nfs/dbraw/zinc/51/72/77/822517277.db2.gz XBOSRKDMIDFIPM-FQEVSTJZSA-N 1 0 395.551 4.157 20 0 GIADRO O=C1OCCN1c1ccc(C[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)cc1 ZINC000183728461 822517690 /nfs/dbraw/zinc/51/76/90/822517690.db2.gz YSSNNXALXNWUDV-NRFANRHFSA-N 1 0 378.472 4.135 20 0 GIADRO COc1cc([C@H](C)[NH2+]Cc2ccc(N3CCOC3=O)cc2)ccc1OC(F)F ZINC000183736523 822519097 /nfs/dbraw/zinc/51/90/97/822519097.db2.gz FJPFFZOHAFYRTC-ZDUSSCGKSA-N 1 0 392.402 4.104 20 0 GIADRO CC[C@H]1C[C@@H](C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)CCO1 ZINC000183740454 822520105 /nfs/dbraw/zinc/52/01/05/822520105.db2.gz MPMPKFWEYZPVBR-GOTSBHOMSA-N 1 0 386.580 4.043 20 0 GIADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CC3(CCC3)[C@@H]2c2ccco2)CC1 ZINC000454706265 822520955 /nfs/dbraw/zinc/52/09/55/822520955.db2.gz CSLUTJIEFRVKMD-UWJYYQICSA-N 1 0 394.519 4.137 20 0 GIADRO Cc1ccc([C@@H](C[NH2+][C@@H](c2ccco2)c2ccccc2)N2CCOCC2)s1 ZINC000183754313 822522594 /nfs/dbraw/zinc/52/25/94/822522594.db2.gz LIAOKPZPBROUCR-DENIHFKCSA-N 1 0 382.529 4.402 20 0 GIADRO CCN(Cc1nnc(Cc2ccccc2C)o1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000183753861 822522615 /nfs/dbraw/zinc/52/26/15/822522615.db2.gz SOLKJOTVUXZWGY-QFIPXVFZSA-N 1 0 390.531 4.065 20 0 GIADRO c1c(C[NH2+]C[C@H]2Cc3ccccc3O2)c(-c2cccnc2)nn1Cc1ccccc1 ZINC000046837146 822522784 /nfs/dbraw/zinc/52/27/84/822522784.db2.gz FISTZJXKVZULOZ-HSZRJFAPSA-N 1 0 396.494 4.087 20 0 GIADRO C[C@@H](OCc1ccccc1)C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000046841926 822523127 /nfs/dbraw/zinc/52/31/27/822523127.db2.gz NIZDXPIKUPOSKX-HXUWFJFHSA-N 1 0 380.532 4.140 20 0 GIADRO O=C(CCC[NH2+][C@@H](c1ccccc1)c1ccc(F)cn1)N1CCc2ccccc21 ZINC000183757050 822523201 /nfs/dbraw/zinc/52/32/01/822523201.db2.gz DDMRSXWTWNZEFB-DEOSSOPVSA-N 1 0 389.474 4.269 20 0 GIADRO C[N@@H+]1CC[C@@H](CNC(=O)NCCCC(C)(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000454741505 822526237 /nfs/dbraw/zinc/52/62/37/822526237.db2.gz SXFYBLJYPSDSHD-XJKSGUPXSA-N 1 0 391.865 4.207 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N(C)C1CCCCC1)c1cccc(OCc2ccccn2)c1 ZINC000179686353 822527140 /nfs/dbraw/zinc/52/71/40/822527140.db2.gz AIYQADCZIGQVJG-GOSISDBHSA-N 1 0 381.520 4.102 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)c1ccc(F)c(F)c1)c1cccc(OCc2ccccn2)c1 ZINC000179686909 822527397 /nfs/dbraw/zinc/52/73/97/822527397.db2.gz ZAMFQTUJSOAYCC-OYHNWAKOSA-N 1 0 384.426 4.323 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)C[C@H](O)c1ccc(Cl)cc1)c1ccsc1 ZINC000179687910 822527842 /nfs/dbraw/zinc/52/78/42/822527842.db2.gz BKMOAXOXNYOBNP-MSOLQXFVSA-N 1 0 380.941 4.024 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C1CCCCC1)c1cccc(OCc2ccccn2)c1 ZINC000179694415 822529036 /nfs/dbraw/zinc/52/90/36/822529036.db2.gz KCSSQGLLKNPIFE-MOPGFXCFSA-N 1 0 395.547 4.491 20 0 GIADRO Cc1ccc(NC(=O)N2CCC[C@]3(CC=CCC3)C2)cc1NC(=O)CC[NH+](C)C ZINC000183803774 822529868 /nfs/dbraw/zinc/52/98/68/822529868.db2.gz CXDDVTAENPVGCY-HSZRJFAPSA-N 1 0 398.551 4.239 20 0 GIADRO COc1cc([C@@H](C)[NH2+]C[C@@H](O)c2ccc(C)cc2)ccc1OCc1ccncc1 ZINC000179699623 822530082 /nfs/dbraw/zinc/53/00/82/822530082.db2.gz ZAOTVGKNMFYHEZ-XMSQKQJNSA-N 1 0 392.499 4.362 20 0 GIADRO COC(=O)COc1ccccc1[C@@H](C)[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000183812369 822530779 /nfs/dbraw/zinc/53/07/79/822530779.db2.gz SYVPVKPAVATPDX-LQWHRVPQSA-N 1 0 383.488 4.057 20 0 GIADRO COC(=O)COc1ccccc1[C@H](C)[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000183812385 822530827 /nfs/dbraw/zinc/53/08/27/822530827.db2.gz SYVPVKPAVATPDX-BBTUJRGHSA-N 1 0 383.488 4.057 20 0 GIADRO Brc1ccc([C@@H]([NH2+]CCCOC[C@@H]2CCOC2)c2ccco2)cc1 ZINC000183821765 822532059 /nfs/dbraw/zinc/53/20/59/822532059.db2.gz VANNOULFGPGGOD-HNAYVOBHSA-N 1 0 394.309 4.164 20 0 GIADRO COCCOc1cccc(C[NH2+]Cc2cc3cc(Br)ccc3[nH]2)c1 ZINC000183825030 822532651 /nfs/dbraw/zinc/53/26/51/822532651.db2.gz JSMGXOVYIVWYJP-UHFFFAOYSA-N 1 0 389.293 4.245 20 0 GIADRO Cc1ccccc1CCN(C)C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000454781125 822532742 /nfs/dbraw/zinc/53/27/42/822532742.db2.gz XUDQQAGMTTVPKZ-NFBKMPQASA-N 1 0 379.548 4.090 20 0 GIADRO C[C@@H](NC(=O)NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)C1=CC[N@H+](C)CC1 ZINC000454780676 822532756 /nfs/dbraw/zinc/53/27/56/822532756.db2.gz USXINXZNDVXSBE-HACGYAERSA-N 1 0 382.335 4.047 20 0 GIADRO C[C@@H](CNC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)[N@@H+]1CCC[C@@H](C)C1 ZINC000046952418 822533663 /nfs/dbraw/zinc/53/36/63/822533663.db2.gz MMSYAMDOIFPMCT-CVEARBPZSA-N 1 0 389.927 4.164 20 0 GIADRO COCc1c(C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)sc2cccc(F)c21 ZINC000046954067 822533947 /nfs/dbraw/zinc/53/39/47/822533947.db2.gz FUFCIIMSBFOXQN-KBPBESRZSA-N 1 0 378.513 4.037 20 0 GIADRO CC(C)Oc1ccc2ccccc2c1CNC(=O)[C@H]([NH2+]C1CCOCC1)C(C)C ZINC000183838411 822534129 /nfs/dbraw/zinc/53/41/29/822534129.db2.gz ZQMQCIAIVPLWON-HSZRJFAPSA-N 1 0 398.547 4.036 20 0 GIADRO CC(C)(Cc1ccc(Cl)cc1Cl)[NH2+]Cc1cn(Cc2cccnc2)nn1 ZINC000183845686 822535328 /nfs/dbraw/zinc/53/53/28/822535328.db2.gz MWVGXEMXNGYRMZ-UHFFFAOYSA-N 1 0 390.318 4.139 20 0 GIADRO CC[C@@H]([NH2+]CC(=O)Nc1ccc(C(C)=O)cc1)c1ccccc1OC(F)F ZINC000179723363 822535339 /nfs/dbraw/zinc/53/53/39/822535339.db2.gz RJELZEHHQBZLGQ-QGZVFWFLSA-N 1 0 376.403 4.170 20 0 GIADRO CC[C@@H]([NH2+][C@@H](C)C(=O)N1CCc2sccc2C1)c1ccccc1OC(F)F ZINC000179724862 822535688 /nfs/dbraw/zinc/53/56/88/822535688.db2.gz ZNKVUPCAJDCRQG-XJKSGUPXSA-N 1 0 394.487 4.364 20 0 GIADRO CC[C@@H]([NH2+][C@H](C)C(=O)N1CCc2sccc2C1)c1ccccc1OC(F)F ZINC000179724887 822535748 /nfs/dbraw/zinc/53/57/48/822535748.db2.gz ZNKVUPCAJDCRQG-CZUORRHYSA-N 1 0 394.487 4.364 20 0 GIADRO OCCC[C@@H]([NH2+]C[C@@H](O)Cn1c2ccccc2c2ccccc21)c1ccccc1 ZINC000179729847 822536872 /nfs/dbraw/zinc/53/68/72/822536872.db2.gz RVIBJQVXIMSXDJ-NFBKMPQASA-N 1 0 388.511 4.259 20 0 GIADRO Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000047017064 822537833 /nfs/dbraw/zinc/53/78/33/822537833.db2.gz KMZYZPYJEJONKE-UHFFFAOYSA-N 1 0 393.597 4.283 20 0 GIADRO CCOc1ccccc1[C@H](CC)[NH2+][C@H](C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000179734968 822538379 /nfs/dbraw/zinc/53/83/79/822538379.db2.gz PPHMZSAIFQUMOI-LSTHTHJFSA-N 1 0 382.504 4.155 20 0 GIADRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2occc2COc2ccccc2)C1 ZINC000047039205 822539057 /nfs/dbraw/zinc/53/90/57/822539057.db2.gz YHVYCJSWBFKSPT-OALUTQOASA-N 1 0 384.520 4.347 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)CCC(=O)c2ccc(Cl)cc2)C1 ZINC000047037985 822539113 /nfs/dbraw/zinc/53/91/13/822539113.db2.gz AEGBRMKTFBXOFV-CALCHBBNSA-N 1 0 378.944 4.177 20 0 GIADRO CCOc1c(Cl)cc(C[N@@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)cc1OC ZINC000179737305 822539241 /nfs/dbraw/zinc/53/92/41/822539241.db2.gz RAZNKTBDRZSWPF-CQSZACIVSA-N 1 0 398.931 4.094 20 0 GIADRO C[C@H](NC(=O)C[NH2+][C@H](CCCO)c1ccccc1)c1ccc2ccccc2c1 ZINC000179738330 822539467 /nfs/dbraw/zinc/53/94/67/822539467.db2.gz BMIDYTYBPOORSH-FDDCHVKYSA-N 1 0 376.500 4.120 20 0 GIADRO CC[C@H]1C[N@H+](CC)CCN1C(=O)Nc1cccc(CSC2CCOCC2)c1 ZINC000454814593 822539565 /nfs/dbraw/zinc/53/95/65/822539565.db2.gz WDOXVMXJTZBYQC-IBGZPJMESA-N 1 0 391.581 4.047 20 0 GIADRO O=C(NCc1cccc(Oc2ccccc2)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000047051071 822540240 /nfs/dbraw/zinc/54/02/40/822540240.db2.gz DDAQICCWEWCDOU-UHFFFAOYSA-N 1 0 379.504 4.249 20 0 GIADRO CCOc1ccccc1[C@@H](CC)[NH2+][C@H](C)C(=O)Nc1cc(OC)ccc1OC ZINC000179743714 822541262 /nfs/dbraw/zinc/54/12/62/822541262.db2.gz FTIZGFSPPUZNQV-CRAIPNDOSA-N 1 0 386.492 4.170 20 0 GIADRO CCCn1ncc(NC(=O)Nc2ccc(C)cc2OCC[NH+](C)C)c1C1CC1 ZINC000454830663 822542302 /nfs/dbraw/zinc/54/23/02/822542302.db2.gz DVKCPOZHPPNXJZ-UHFFFAOYSA-N 1 0 385.512 4.063 20 0 GIADRO CC[NH+](CC)Cc1cccc(N[C@@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)c1 ZINC000179750345 822542383 /nfs/dbraw/zinc/54/23/83/822542383.db2.gz ARRJRHNKFPREIO-INIZCTEOSA-N 1 0 390.549 4.114 20 0 GIADRO Cc1ccc(C)c(NC(=O)[C@@H](C)[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)c1 ZINC000179750797 822542686 /nfs/dbraw/zinc/54/26/86/822542686.db2.gz UAJAFSRKDGVJGM-ZHRRBRCNSA-N 1 0 380.488 4.143 20 0 GIADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000047104415 822544757 /nfs/dbraw/zinc/54/47/57/822544757.db2.gz XEPZYXZVIFPUFG-QZTJIDSGSA-N 1 0 381.442 4.006 20 0 GIADRO C[C@@H]1CCc2c(F)cccc2[C@H]1Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000179760722 822545413 /nfs/dbraw/zinc/54/54/13/822545413.db2.gz MOOMFMKUNNKQHO-MWTRTKDXSA-N 1 0 395.522 4.259 20 0 GIADRO O=C(C[NH2+][C@@H](CCCO)c1ccccc1)Nc1ccc(SC(F)F)cc1 ZINC000179761237 822545620 /nfs/dbraw/zinc/54/56/20/822545620.db2.gz RYPSPNOFOWYIAM-KRWDZBQOSA-N 1 0 380.460 4.043 20 0 GIADRO COc1ccccc1COC1CC[NH+](Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000179761393 822545632 /nfs/dbraw/zinc/54/56/32/822545632.db2.gz RDPOMLNKHLVGDY-UHFFFAOYSA-N 1 0 378.472 4.130 20 0 GIADRO Brc1ccc([C@H]([NH2+][C@H]2CCN(c3ccccn3)C2)c2ccco2)cc1 ZINC000183918114 822546062 /nfs/dbraw/zinc/54/60/62/822546062.db2.gz QFVBDRNWAQIXDG-PXNSSMCTSA-N 1 0 398.304 4.395 20 0 GIADRO Cc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1Cl ZINC000179765879 822547445 /nfs/dbraw/zinc/54/74/45/822547445.db2.gz XOJDWKMWARMKOQ-CQSZACIVSA-N 1 0 385.895 4.286 20 0 GIADRO Brc1cccc(C2([NH2+]Cc3cncc(Br)c3)CC2)c1 ZINC000179766691 822548010 /nfs/dbraw/zinc/54/80/10/822548010.db2.gz WYEMPHGNEFLORD-UHFFFAOYSA-N 1 0 382.099 4.386 20 0 GIADRO Cc1nc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c(-c2ccccc2)o1 ZINC000183925600 822548014 /nfs/dbraw/zinc/54/80/14/822548014.db2.gz BUANKTRAOJPNNT-UHFFFAOYSA-N 1 0 375.472 4.044 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1ccc2c(c1O)CCCC2 ZINC000183926114 822548217 /nfs/dbraw/zinc/54/82/17/822548217.db2.gz OJNBEVNFCGEURU-UHFFFAOYSA-N 1 0 393.531 4.045 20 0 GIADRO Cc1cccc(NC(=O)[C@H](C)[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)c1C ZINC000179768338 822548415 /nfs/dbraw/zinc/54/84/15/822548415.db2.gz WCOWABWDPAHHGB-KSFYIVLOSA-N 1 0 380.488 4.143 20 0 GIADRO NC(=O)C1CC[NH+](Cc2cccc(N[C@H]3CCCc4cc(F)ccc43)c2)CC1 ZINC000179773566 822550010 /nfs/dbraw/zinc/55/00/10/822550010.db2.gz WBCGFDROZXAVPI-QFIPXVFZSA-N 1 0 381.495 4.013 20 0 GIADRO Cc1ccc([C@@H](Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)C2CC2)cc1 ZINC000179775279 822550252 /nfs/dbraw/zinc/55/02/52/822550252.db2.gz FTGMDSNVPRLEQX-HSZRJFAPSA-N 1 0 377.532 4.256 20 0 GIADRO CSc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1 ZINC000179775404 822550473 /nfs/dbraw/zinc/55/04/73/822550473.db2.gz QUCVQCFCZPFECR-AWEZNQCLSA-N 1 0 383.517 4.046 20 0 GIADRO C[NH+](C)CC1(CNC(=O)Nc2cccc(COCc3ccco3)c2)CCCC1 ZINC000183941359 822550956 /nfs/dbraw/zinc/55/09/56/822550956.db2.gz FLKWKVPADFFNEX-UHFFFAOYSA-N 1 0 385.508 4.240 20 0 GIADRO FC(F)Oc1ccc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)cc1Br ZINC000179780461 822551486 /nfs/dbraw/zinc/55/14/86/822551486.db2.gz ZOMYQDAMKSSRCO-GFCCVEGCSA-N 1 0 386.240 4.153 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000047187717 822552450 /nfs/dbraw/zinc/55/24/50/822552450.db2.gz DADSPQWKEYEICG-QGZVFWFLSA-N 1 0 389.540 4.418 20 0 GIADRO CCC(CC)[C@@H]([NH2+]CC(=O)Nc1cccc(C(=O)N(C)C)c1)c1ccccc1 ZINC000179788748 822553416 /nfs/dbraw/zinc/55/34/16/822553416.db2.gz FNDDKZPZUJZTFO-JOCHJYFZSA-N 1 0 381.520 4.094 20 0 GIADRO CC[C@@H](C(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1ccc(OC)cc1 ZINC000179793196 822553904 /nfs/dbraw/zinc/55/39/04/822553904.db2.gz DHICYQMGXUSMHW-HSZRJFAPSA-N 1 0 380.532 4.012 20 0 GIADRO CC[NH+](CC)CCOc1ccc(C(=O)Nc2cccc(NC(=O)C3CC3)c2)cc1 ZINC000047210713 822554675 /nfs/dbraw/zinc/55/46/75/822554675.db2.gz KBSQHKHGFJVJJQ-UHFFFAOYSA-N 1 0 395.503 4.008 20 0 GIADRO CC(C)(C)C[C@H]1CCN(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000454907845 822554720 /nfs/dbraw/zinc/55/47/20/822554720.db2.gz QXLCHCVWZVLGJT-ODIFPOPNSA-N 1 0 389.506 4.259 20 0 GIADRO Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@@H](Cc1ccc(Cl)cc1)C1CCCCC1 ZINC000179799962 822555145 /nfs/dbraw/zinc/55/51/45/822555145.db2.gz UANQKJWHKJUHTC-IBGZPJMESA-N 1 0 388.943 4.400 20 0 GIADRO COc1ccc(/C=C(\C)C(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)cc1F ZINC000183970872 822555945 /nfs/dbraw/zinc/55/59/45/822555945.db2.gz XNRWWXMCKLNEMF-OBGWFSINSA-N 1 0 396.506 4.361 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)Nc1cccc(NC(=O)C2CCCCC2)c1 ZINC000454923947 822557705 /nfs/dbraw/zinc/55/77/05/822557705.db2.gz YTGXUQVYCMPVJR-UHFFFAOYSA-N 1 0 388.556 4.447 20 0 GIADRO CC(=O)N1CCC[N@H+](Cc2ccc(-c3ccc(C(F)(F)F)cc3)s2)CC1 ZINC000179810892 822557750 /nfs/dbraw/zinc/55/77/50/822557750.db2.gz VGPFCVPTTKMBJB-UHFFFAOYSA-N 1 0 382.451 4.488 20 0 GIADRO O=C(Nc1ccccn1)[C@@H]1CCC[N@@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000047260450 822559627 /nfs/dbraw/zinc/55/96/27/822559627.db2.gz JWCROCHBVDXBAU-MRXNPFEDSA-N 1 0 396.878 4.241 20 0 GIADRO Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000454947677 822561792 /nfs/dbraw/zinc/56/17/92/822561792.db2.gz NSXYODPEXLHLIN-CVDCTZTESA-N 1 0 384.568 4.323 20 0 GIADRO CSc1ncc(Cl)c(C(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)n1 ZINC000047283508 822562005 /nfs/dbraw/zinc/56/20/05/822562005.db2.gz JSTUTUNWXYPENQ-ZDUSSCGKSA-N 1 0 390.940 4.336 20 0 GIADRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)c3ccc(C4N=NC(=S)O4)cc3)c2C1 ZINC000184003648 822562069 /nfs/dbraw/zinc/56/20/69/822562069.db2.gz QNAYCVXRIQVEOA-UHFFFAOYSA-N 1 0 394.500 4.249 20 0 GIADRO CC(C)c1c(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cnn1-c1cccc(Cl)c1 ZINC000047287109 822562174 /nfs/dbraw/zinc/56/21/74/822562174.db2.gz GVUZVCGHQHIWAX-RBUKOAKNSA-N 1 0 386.927 4.006 20 0 GIADRO Cc1nc(COc2ccc(NC3CC[NH+]([C@H]4CCC[C@@H](C)C4)CC3)cc2)no1 ZINC000179832318 822562280 /nfs/dbraw/zinc/56/22/80/822562280.db2.gz RKFKQXLVBFSNCK-UZLBHIALSA-N 1 0 384.524 4.412 20 0 GIADRO CC[NH+](CC)CCOc1ccc(C(=O)N(C)Cc2nc3ccccc3s2)cc1 ZINC000047303197 822563394 /nfs/dbraw/zinc/56/33/94/822563394.db2.gz VHWAUYSVFHDDIC-UHFFFAOYSA-N 1 0 397.544 4.289 20 0 GIADRO COCOc1ccc(OC)cc1C[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000179838180 822563751 /nfs/dbraw/zinc/56/37/51/822563751.db2.gz FTYJZTHHZYFTPB-CYBMUJFWSA-N 1 0 380.282 4.291 20 0 GIADRO CCOCc1cc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)ccc1OC ZINC000179840291 822564137 /nfs/dbraw/zinc/56/41/37/822564137.db2.gz STEYEABHHFWUHG-IBGZPJMESA-N 1 0 382.504 4.082 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)CCc2ccc3[nH]ccc3c2)CC1 ZINC000179844767 822565090 /nfs/dbraw/zinc/56/50/90/822565090.db2.gz NDWFDTVSXRULIH-UHFFFAOYSA-N 1 0 375.516 4.190 20 0 GIADRO Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000184021693 822565767 /nfs/dbraw/zinc/56/57/67/822565767.db2.gz VVQXPBZRVLLSNP-UHFFFAOYSA-N 1 0 388.556 4.223 20 0 GIADRO C[C@H](CC(=O)NC1CC[NH+](Cc2ccncc2)CC1)Cc1ccc(Cl)cc1 ZINC000179855275 822566845 /nfs/dbraw/zinc/56/68/45/822566845.db2.gz FPHUSDFTLHPPEA-KRWDZBQOSA-N 1 0 385.939 4.085 20 0 GIADRO O=C(Nc1ccc(F)c(F)c1F)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000047334456 822567772 /nfs/dbraw/zinc/56/77/72/822567772.db2.gz KHFFFANFALNYBR-UHFFFAOYSA-N 1 0 381.373 4.029 20 0 GIADRO O=C(Nc1ccc2c(c1)Cc1ccccc1-2)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000047353498 822570279 /nfs/dbraw/zinc/57/02/79/822570279.db2.gz PTHPKQYJYCJXPP-UHFFFAOYSA-N 1 0 398.510 4.439 20 0 GIADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1csc(-c2ccc(F)c(F)c2)n1 ZINC000184058467 822572533 /nfs/dbraw/zinc/57/25/33/822572533.db2.gz GJTMDYFTDWSFTG-CQSZACIVSA-N 1 0 379.476 4.035 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)N(Cc2cccc(F)c2)C2CC2)CC1 ZINC000047379061 822572873 /nfs/dbraw/zinc/57/28/73/822572873.db2.gz KDPLUVHTIKEYBR-UHFFFAOYSA-N 1 0 396.510 4.164 20 0 GIADRO CC(C)c1ccc(NC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)c(C(C)C)c1 ZINC000184065485 822573263 /nfs/dbraw/zinc/57/32/63/822573263.db2.gz HYKNWCLUKBFZQL-UHFFFAOYSA-N 1 0 388.600 4.471 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)Cc2nc(-c3ccco3)oc2C)CC1 ZINC000184078241 822574888 /nfs/dbraw/zinc/57/48/88/822574888.db2.gz AEHTULOEGXVDAU-UHFFFAOYSA-N 1 0 387.524 4.146 20 0 GIADRO O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)N1CCC([NH+]2CCCC2)CC1 ZINC000047396390 822574956 /nfs/dbraw/zinc/57/49/56/822574956.db2.gz PTPSHVUYTDFIAR-UHFFFAOYSA-N 1 0 385.508 4.210 20 0 GIADRO Cc1nn(C)c2nc(C)cc(C(=O)Nc3ccc(C[NH+]4CCC(C)CC4)cc3)c12 ZINC000047402038 822575547 /nfs/dbraw/zinc/57/55/47/822575547.db2.gz PJOLLQIGUQOHSF-UHFFFAOYSA-N 1 0 391.519 4.069 20 0 GIADRO C[C@@H]([NH2+]CCCc1nc(-c2ccc(F)cc2)no1)c1ccc2c(c1)OCCCO2 ZINC000184093675 822576941 /nfs/dbraw/zinc/57/69/41/822576941.db2.gz OOKAAQKXTKFWBB-OAHLLOKOSA-N 1 0 397.450 4.320 20 0 GIADRO C[C@H](CC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)C(=O)c1ccc(Cl)cc1 ZINC000179918900 822577116 /nfs/dbraw/zinc/57/71/16/822577116.db2.gz SLADNJHIURFCMZ-DLBZAZTESA-N 1 0 378.944 4.177 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1ccc(-c2cnco2)cc1 ZINC000047414677 822577254 /nfs/dbraw/zinc/57/72/54/822577254.db2.gz NLRBOKWUVSQNRA-UHFFFAOYSA-N 1 0 379.460 4.315 20 0 GIADRO Cc1cc2cccnc2c(NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000455040879 822578247 /nfs/dbraw/zinc/57/82/47/822578247.db2.gz BVPQYZNAEKVBOU-UHFFFAOYSA-N 1 0 394.441 4.424 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cc2)c1 ZINC000047454100 822580929 /nfs/dbraw/zinc/58/09/29/822580929.db2.gz QPLDWTNDWDXUPU-UHFFFAOYSA-N 1 0 383.492 4.276 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)c1 ZINC000047453478 822580973 /nfs/dbraw/zinc/58/09/73/822580973.db2.gz CYYYVMABFKELQJ-UHFFFAOYSA-N 1 0 379.485 4.314 20 0 GIADRO C[C@H](Nc1ccc(N2CCOC[C@@H]2C)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000179941432 822581626 /nfs/dbraw/zinc/58/16/26/822581626.db2.gz VZMZCVYYPUCYHZ-OALUTQOASA-N 1 0 383.536 4.025 20 0 GIADRO CC(C)Oc1ccc2ccccc2c1CNC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000184122176 822581979 /nfs/dbraw/zinc/58/19/79/822581979.db2.gz SPNLVVTVUXQHQK-UHFFFAOYSA-N 1 0 383.536 4.110 20 0 GIADRO CCCC(=O)Nc1ccc(Cl)c(NC(=O)NCCCCC[NH+]2CCCC2)c1 ZINC000455057277 822582112 /nfs/dbraw/zinc/58/21/12/822582112.db2.gz SGRGHGHFLGGYTC-UHFFFAOYSA-N 1 0 394.947 4.466 20 0 GIADRO Cc1nn(C)c2nc(C)c(C(=O)Nc3ccc(C[NH+]4CCC(C)CC4)cc3)cc12 ZINC000047476565 822582339 /nfs/dbraw/zinc/58/23/39/822582339.db2.gz MWLBHBPFHFZUKP-UHFFFAOYSA-N 1 0 391.519 4.069 20 0 GIADRO CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2ccc(SC)c(OC)c2)cc1 ZINC000179948291 822583550 /nfs/dbraw/zinc/58/35/50/822583550.db2.gz SFJHAIOIQZQPNT-CQSZACIVSA-N 1 0 379.547 4.062 20 0 GIADRO CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2ccc(Br)s2)cc1 ZINC000179948916 822583764 /nfs/dbraw/zinc/58/37/64/822583764.db2.gz QRFCYWRVVNUMNA-LLVKDONJSA-N 1 0 388.352 4.155 20 0 GIADRO CCc1ccc([C@@H](CNC(=O)Nc2c(C)nn(CC)c2C)[NH+](CC)CC)cc1 ZINC000455070444 822584394 /nfs/dbraw/zinc/58/43/94/822584394.db2.gz UBHGCQKPZNQYCW-HXUWFJFHSA-N 1 0 385.556 4.287 20 0 GIADRO O=C(Nc1cccc(OC2CCCC2)c1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000047500483 822584593 /nfs/dbraw/zinc/58/45/93/822584593.db2.gz UCSXVMIAORVBSS-UHFFFAOYSA-N 1 0 394.519 4.189 20 0 GIADRO Cc1ccc([C@@H]([NH2+]CCc2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000179955893 822585184 /nfs/dbraw/zinc/58/51/84/822585184.db2.gz ZJAQFOYKYZOJSG-HSZRJFAPSA-N 1 0 397.515 4.459 20 0 GIADRO CC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)CC)cc1)c1cccc(Br)c1 ZINC000179955070 822585223 /nfs/dbraw/zinc/58/52/23/822585223.db2.gz SJPGIQVZOIBIIS-GOSISDBHSA-N 1 0 396.350 4.484 20 0 GIADRO O=C(Nc1ccc(OC2CCCC2)cc1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000047506917 822585376 /nfs/dbraw/zinc/58/53/76/822585376.db2.gz JFLBWSVDWRZEQB-UHFFFAOYSA-N 1 0 394.519 4.189 20 0 GIADRO Cn1cc(C[N@@H+]2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)c(C(C)(C)C)n1 ZINC000179958368 822585641 /nfs/dbraw/zinc/58/56/41/822585641.db2.gz GTCODSJVTHFSAT-INIZCTEOSA-N 1 0 397.498 4.286 20 0 GIADRO CC(C)(C)OC(=O)NC1CCC([NH2+]C[C@@H](c2cccs2)N2CCCC2)CC1 ZINC000179961013 822586046 /nfs/dbraw/zinc/58/60/46/822586046.db2.gz UFWOPXXWNFXVIU-ABHNRTSZSA-N 1 0 393.597 4.311 20 0 GIADRO CC(C)[N@@H+](Cc1ccc(NC(=O)N2CCC[C@H]2CF)cc1)C[C@@H]1CCCCO1 ZINC000455079616 822586393 /nfs/dbraw/zinc/58/63/93/822586393.db2.gz TZCRVNZTRMSMQP-SFTDATJTSA-N 1 0 391.531 4.432 20 0 GIADRO COc1ccc(C(=O)Nc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)c(OC)c1OC ZINC000047522391 822586892 /nfs/dbraw/zinc/58/68/92/822586892.db2.gz OSBJKCCIOMXKPI-INIZCTEOSA-N 1 0 398.503 4.339 20 0 GIADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000179966375 822587126 /nfs/dbraw/zinc/58/71/26/822587126.db2.gz DPDNHDQNLNRSOE-IUODEOHRSA-N 1 0 377.847 4.095 20 0 GIADRO C[C@H]([NH2+]CCC(c1ccccc1)c1ccccc1)c1ccc(S(N)(=O)=O)cc1 ZINC000179968053 822587316 /nfs/dbraw/zinc/58/73/16/822587316.db2.gz VVRJYSHZPDMDKV-SFHVURJKSA-N 1 0 394.540 4.207 20 0 GIADRO [NH3+]CC1(CC(=O)Nc2ccc(OC(F)F)cc2OC(F)F)CCCCC1 ZINC000184161145 822588234 /nfs/dbraw/zinc/58/82/34/822588234.db2.gz GXILPFIWVRGOBV-UHFFFAOYSA-N 1 0 378.366 4.127 20 0 GIADRO [NH3+]CC1(CC(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCO2)CCCCC1 ZINC000184163776 822588918 /nfs/dbraw/zinc/58/89/18/822588918.db2.gz YGRAQHBDTUSVBM-MRXNPFEDSA-N 1 0 380.916 4.136 20 0 GIADRO Fc1ccc(-c2noc(CCC[NH2+]Cc3cccc(OC(F)F)c3)n2)cc1 ZINC000184169508 822589950 /nfs/dbraw/zinc/58/99/50/822589950.db2.gz PFJQUMZURHDOGG-UHFFFAOYSA-N 1 0 377.366 4.200 20 0 GIADRO CCCCCOc1ccc([C@H]([NH2+]C[C@H]2COC3(CCOCC3)O2)C2CC2)cc1 ZINC000179981774 822590147 /nfs/dbraw/zinc/59/01/47/822590147.db2.gz LSYZVNJPRJYCPV-FCHUYYIVSA-N 1 0 389.536 4.218 20 0 GIADRO Cn1cc(C[NH2+]CCCc2nc(-c3ccc(F)cc3)no2)c(-c2cccs2)n1 ZINC000184174329 822590774 /nfs/dbraw/zinc/59/07/74/822590774.db2.gz WERRGTUCGQLLSF-UHFFFAOYSA-N 1 0 397.479 4.060 20 0 GIADRO Cc1ccccc1NC(=S)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000047567440 822591329 /nfs/dbraw/zinc/59/13/29/822591329.db2.gz LEGZEEYLWXHZNA-ROUUACIJSA-N 1 0 383.561 4.091 20 0 GIADRO CC[C@H](NC(=O)NCCCCC[NH+]1CCCC1)c1nc(C(F)(F)F)cs1 ZINC000455117677 822591491 /nfs/dbraw/zinc/59/14/91/822591491.db2.gz OGJNNEBDORNDKZ-ZDUSSCGKSA-N 1 0 392.491 4.178 20 0 GIADRO [NH3+]CC1(CC(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)no2)CCCCC1 ZINC000184179640 822591577 /nfs/dbraw/zinc/59/15/77/822591577.db2.gz ZTBHTHKNENWYKU-SFHVURJKSA-N 1 0 382.508 4.090 20 0 GIADRO Cc1ccc(NC(=S)NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000047567482 822591618 /nfs/dbraw/zinc/59/16/18/822591618.db2.gz ITSRVYKSAKJJDZ-ROUUACIJSA-N 1 0 383.561 4.091 20 0 GIADRO CCN(C(=O)c1cc(Cl)cc(Cl)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000184187256 822592682 /nfs/dbraw/zinc/59/26/82/822592682.db2.gz OVHRPWGCUNUINP-MRXNPFEDSA-N 1 0 378.303 4.125 20 0 GIADRO Cc1cccc(NC(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)c1F ZINC000179997193 822592968 /nfs/dbraw/zinc/59/29/68/822592968.db2.gz CGMDOENNDDKYJW-UHFFFAOYSA-N 1 0 399.510 4.327 20 0 GIADRO CC(C)COC[C@@H]([NH2+]C[C@H](O)c1ccccc1Br)c1ccco1 ZINC000184189047 822593163 /nfs/dbraw/zinc/59/31/63/822593163.db2.gz GYXJYIWFUZWLBR-SJORKVTESA-N 1 0 382.298 4.079 20 0 GIADRO Cc1ccccc1COc1ccc([C@@H](C)[NH2+]C[C@@H]2COC3(CCOCC3)O2)cc1 ZINC000179998855 822593191 /nfs/dbraw/zinc/59/31/91/822593191.db2.gz LYVFEGVHKAWUIT-AUSIDOKSSA-N 1 0 397.515 4.147 20 0 GIADRO CC(F)(F)CCCNC(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000455127498 822593265 /nfs/dbraw/zinc/59/32/65/822593265.db2.gz OQDLZINIRZEHKI-HNNXBMFYSA-N 1 0 393.400 4.014 20 0 GIADRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)Nc2ccncc2F)cc1 ZINC000184200378 822595000 /nfs/dbraw/zinc/59/50/00/822595000.db2.gz NDWZKJPTEHNERZ-UHFFFAOYSA-N 1 0 378.451 4.271 20 0 GIADRO COc1ccc(NC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1OC(C)C ZINC000184218592 822597899 /nfs/dbraw/zinc/59/78/99/822597899.db2.gz FBOWVKDKIZQZDM-IRXDYDNUSA-N 1 0 389.540 4.257 20 0 GIADRO Cc1cc(CSc2ccccc2C(=O)NC2CC[NH+](CC(C)C)CC2)on1 ZINC000047634540 822598205 /nfs/dbraw/zinc/59/82/05/822598205.db2.gz FQCOJBWVDFNCJU-UHFFFAOYSA-N 1 0 387.549 4.126 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)N(C)Cc2ccc(OC)c(OC(F)F)c2)o1 ZINC000047665102 822599231 /nfs/dbraw/zinc/59/92/31/822599231.db2.gz ZCHBYTFJFAUBCB-UHFFFAOYSA-N 1 0 396.434 4.004 20 0 GIADRO O=C(NC[C@H]1CCCCC1(F)F)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000455159568 822599344 /nfs/dbraw/zinc/59/93/44/822599344.db2.gz FRAPQFPHNYYBMD-TZIWHRDSSA-N 1 0 391.506 4.120 20 0 GIADRO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1cccc(NC(=O)c2cccs2)c1 ZINC000047675605 822599324 /nfs/dbraw/zinc/59/93/24/822599324.db2.gz UNLNOSOELWQTKI-UHFFFAOYSA-N 1 0 399.560 4.337 20 0 GIADRO CC(C)[NH+](CCNC(=O)N[C@H](C)c1ccc(OCc2cccnc2)cc1)C(C)C ZINC000047684218 822599644 /nfs/dbraw/zinc/59/96/44/822599644.db2.gz LEGLDPADJYNUHU-LJQANCHMSA-N 1 0 398.551 4.140 20 0 GIADRO CCC(CC)C(=O)N1CCC([NH2+][C@H](C)c2nc3ccc(Cl)cc3n2C)CC1 ZINC000180030483 822600805 /nfs/dbraw/zinc/60/08/05/822600805.db2.gz WLLFWVRXYZSIPH-CQSZACIVSA-N 1 0 390.959 4.305 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(Cn2cccn2)c1)c1nc2ccc(Cl)cc2n1C ZINC000180037938 822602444 /nfs/dbraw/zinc/60/24/44/822602444.db2.gz DKGFFCVPNRAMBM-HNNXBMFYSA-N 1 0 379.895 4.322 20 0 GIADRO Cc1ccc(OCCCC(=O)Nc2ccc(C[NH2+]Cc3cccnc3)cc2)cc1 ZINC000047718708 822603655 /nfs/dbraw/zinc/60/36/55/822603655.db2.gz YNOJLAGIDDBNOH-UHFFFAOYSA-N 1 0 389.499 4.478 20 0 GIADRO COc1ccccc1-c1ccc(C[NH2+][C@@H]2CCCN(c3cccnc3)C2=O)cc1 ZINC000184253971 822603739 /nfs/dbraw/zinc/60/37/39/822603739.db2.gz FTXRLDJSPOKGBY-JOCHJYFZSA-N 1 0 387.483 4.042 20 0 GIADRO COc1cc2c(cc1C[NH2+][C@@H](C)c1ccc(NC(=O)NC3CC3)cc1)O[C@H](C)C2 ZINC000047725818 822604232 /nfs/dbraw/zinc/60/42/32/822604232.db2.gz UCLOKURLRKMEPO-CABCVRRESA-N 1 0 395.503 4.153 20 0 GIADRO Cc1ccc([C@@H]([NH2+]Cc2ccc(CS(=O)(=O)NC(C)C)cc2)C2CC2)cc1 ZINC000180050390 822604582 /nfs/dbraw/zinc/60/45/82/822604582.db2.gz QHRNJKNBLMUQJS-JOCHJYFZSA-N 1 0 386.561 4.064 20 0 GIADRO Cc1ccccc1OCCCC(=O)Nc1ccc(C[NH2+]Cc2cccnc2)cc1 ZINC000047747123 822605736 /nfs/dbraw/zinc/60/57/36/822605736.db2.gz CRRGQVJACVFBSA-UHFFFAOYSA-N 1 0 389.499 4.478 20 0 GIADRO CC(C)Oc1ccc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)cn1 ZINC000047772148 822608207 /nfs/dbraw/zinc/60/82/07/822608207.db2.gz AZSYRDLVOQHZKQ-UHFFFAOYSA-N 1 0 399.498 4.406 20 0 GIADRO COc1cccc([C@@H]2[C@H](NC(=O)Nc3ccc(F)cc3F)CC[N@@H+]2C2CC2)c1 ZINC000180068607 822608652 /nfs/dbraw/zinc/60/86/52/822608652.db2.gz AUGIXQFWFGUEHX-WOJBJXKFSA-N 1 0 387.430 4.073 20 0 GIADRO COc1cc([C@@H](C)[NH2+]CC(=O)Nc2ccc(F)cc2F)ccc1OCC(C)C ZINC000180088400 822612846 /nfs/dbraw/zinc/61/28/46/822612846.db2.gz TYQXMRFXCSWAQZ-CQSZACIVSA-N 1 0 392.446 4.298 20 0 GIADRO CCOc1c(Cl)cc(C[NH2+][C@H](C)c2ccc3c(c2)CCC(=O)N3)cc1OC ZINC000047827488 822612976 /nfs/dbraw/zinc/61/29/76/822612976.db2.gz WOFZFEVLEJJUTH-CYBMUJFWSA-N 1 0 388.895 4.483 20 0 GIADRO C[C@@H]([NH2+]Cc1cc(Br)ccc1F)c1ccc2c(c1)CCC(=O)N2 ZINC000047827227 822613021 /nfs/dbraw/zinc/61/30/21/822613021.db2.gz YQPSDIKKCJDRBT-LLVKDONJSA-N 1 0 377.257 4.324 20 0 GIADRO CC(C)Sc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000180090474 822613447 /nfs/dbraw/zinc/61/34/47/822613447.db2.gz VFJPKDHAXCNUFC-HUUCEWRRSA-N 1 0 378.563 4.246 20 0 GIADRO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000047852219 822614039 /nfs/dbraw/zinc/61/40/39/822614039.db2.gz FYLYKMDCYSWKQI-UHFFFAOYSA-N 1 0 393.890 4.293 20 0 GIADRO Brc1ccc([C@@H]([NH2+]Cc2ccc(-n3cncn3)cc2)C2CC2)cc1 ZINC000180094903 822614253 /nfs/dbraw/zinc/61/42/53/822614253.db2.gz FGBNWODCXOAPGP-IBGZPJMESA-N 1 0 383.293 4.271 20 0 GIADRO CO[C@@H](C)C(=O)Nc1cccc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000180095599 822614518 /nfs/dbraw/zinc/61/45/18/822614518.db2.gz JRRBMPPUNHRTDP-BOSCWZPRSA-N 1 0 393.531 4.268 20 0 GIADRO COc1cc([C@@H](C)[NH2+]CC(=O)N[C@H](C)c2cccs2)ccc1OCC(C)C ZINC000180096886 822614621 /nfs/dbraw/zinc/61/46/21/822614621.db2.gz OLMXMVHYJUSSSD-HZPDHXFCSA-N 1 0 390.549 4.320 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1cc(F)c(N2CCCC2)c(F)c1)c1ccsc1 ZINC000047861951 822614624 /nfs/dbraw/zinc/61/46/24/822614624.db2.gz RDXCSMNJAQZIKN-QGZVFWFLSA-N 1 0 394.491 4.051 20 0 GIADRO C[C@H](NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)c1cccc(OC(F)F)c1 ZINC000047871753 822615399 /nfs/dbraw/zinc/61/53/99/822615399.db2.gz GESBCHFVFGWKPP-WMLDXEAASA-N 1 0 393.434 4.078 20 0 GIADRO Cc1ccccc1Oc1ccccc1C[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000180101589 822615505 /nfs/dbraw/zinc/61/55/05/822615505.db2.gz LGZCFBXWZJHMDM-QGZVFWFLSA-N 1 0 396.512 4.286 20 0 GIADRO Cc1ccc(Oc2ccccc2C[NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000180101545 822615528 /nfs/dbraw/zinc/61/55/28/822615528.db2.gz NGPXPYFVCHNFBB-QGZVFWFLSA-N 1 0 396.512 4.286 20 0 GIADRO CCc1nc(CN2CCC(C[NH2+][C@H](C)c3nc4ccccc4n3C)CC2)cs1 ZINC000180108446 822616746 /nfs/dbraw/zinc/61/67/46/822616746.db2.gz OXLUVBVSCGFRCI-MRXNPFEDSA-N 1 0 397.592 4.155 20 0 GIADRO COc1ccc(CNCC[C@H](C)[NH+]2CCCCC2)cc1OCc1cccnc1 ZINC000184331448 822616859 /nfs/dbraw/zinc/61/68/59/822616859.db2.gz GGSJZAVMUGNRQU-IBGZPJMESA-N 1 0 383.536 4.023 20 0 GIADRO COc1ccc([C@H]([NH2+]CC2CCN(Cc3nc(C)c(C)o3)CC2)C(C)C)cc1 ZINC000180109159 822617019 /nfs/dbraw/zinc/61/70/19/822617019.db2.gz LMEPKZPGQWOKMG-HSZRJFAPSA-N 1 0 385.552 4.499 20 0 GIADRO COc1ccc2oc([C@@H](C)[NH2+][C@H](C)C(=O)NCc3ccccc3OC)c(C)c2c1 ZINC000184332667 822617096 /nfs/dbraw/zinc/61/70/96/822617096.db2.gz TXDZSDXJVNSSHO-HZPDHXFCSA-N 1 0 396.487 4.114 20 0 GIADRO Cc1cncc([C@@H](C)[NH2+]C[C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)c1 ZINC000184333746 822617297 /nfs/dbraw/zinc/61/72/97/822617297.db2.gz KCSKBRGEGKFAOU-OXQOHEQNSA-N 1 0 393.453 4.133 20 0 GIADRO C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000184333376 822617336 /nfs/dbraw/zinc/61/73/36/822617336.db2.gz RZYMVBPSJJOICU-QGZVFWFLSA-N 1 0 378.944 4.177 20 0 GIADRO CCOc1ccccc1NC(=O)C[NH2+][C@@H](C)c1oc2ccc(OC)cc2c1C ZINC000184336029 822617738 /nfs/dbraw/zinc/61/77/38/822617738.db2.gz QFTFRFAMCZJEHK-HNNXBMFYSA-N 1 0 382.460 4.438 20 0 GIADRO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ncccc1C(F)(F)F ZINC000180112144 822617712 /nfs/dbraw/zinc/61/77/12/822617712.db2.gz RYEJUZZWALCACZ-ALOPSCKCSA-N 1 0 389.421 4.026 20 0 GIADRO COc1ccc2oc([C@@H](C)[NH2+]Cc3cc(=O)oc4cc(O)ccc34)c(C)c2c1 ZINC000184337053 822617916 /nfs/dbraw/zinc/61/79/16/822617916.db2.gz SMSOPWYKOXFTGF-CYBMUJFWSA-N 1 0 379.412 4.413 20 0 GIADRO COc1ccc2oc([C@H](C)[NH2+]Cc3cc(=O)oc4cc(O)ccc34)c(C)c2c1 ZINC000184337070 822617930 /nfs/dbraw/zinc/61/79/30/822617930.db2.gz SMSOPWYKOXFTGF-ZDUSSCGKSA-N 1 0 379.412 4.413 20 0 GIADRO COc1ccc2oc([C@@H](C)[NH2+]CC(=O)Nc3ccnn3C3CCCC3)c(C)c2c1 ZINC000184339319 822618375 /nfs/dbraw/zinc/61/83/75/822618375.db2.gz RARMCRJVRBFWDF-OAHLLOKOSA-N 1 0 396.491 4.351 20 0 GIADRO CC(C)Oc1ccc([C@@H](O)C[NH2+][C@@H](C)c2nc3ccc(Cl)cc3n2C)cc1 ZINC000180118433 822618848 /nfs/dbraw/zinc/61/88/48/822618848.db2.gz PYEKFIJLMRULHB-XOBRGWDASA-N 1 0 387.911 4.398 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]CC(=O)N1CCCCCC1 ZINC000184342695 822618949 /nfs/dbraw/zinc/61/89/49/822618949.db2.gz QEECJBNOHDQKDX-AWEZNQCLSA-N 1 0 375.513 4.311 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]CC(=O)N1CCC(C)CC1 ZINC000184342930 822618989 /nfs/dbraw/zinc/61/89/89/822618989.db2.gz BNSHLCRDSRMSPE-CQSZACIVSA-N 1 0 375.513 4.167 20 0 GIADRO COc1ccc(OC(F)F)c(NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000047915049 822619116 /nfs/dbraw/zinc/61/91/16/822619116.db2.gz HOVNDFRGOISQBZ-AWEZNQCLSA-N 1 0 385.455 4.073 20 0 GIADRO COc1ccc(CNC(=O)[C@@H](C)[NH2+][C@@H](C)c2cc3ccccc3s2)cc1OC ZINC000184357444 822621509 /nfs/dbraw/zinc/62/15/09/822621509.db2.gz SBBZZHUBZNZYTB-LSDHHAIUSA-N 1 0 398.528 4.274 20 0 GIADRO CCc1c(NC(=O)NCCCC[N@H+](C)C2CC2)cnn1-c1ccccc1Cl ZINC000455267952 822621950 /nfs/dbraw/zinc/62/19/50/822621950.db2.gz QXBGSHTVASLKJZ-UHFFFAOYSA-N 1 0 389.931 4.084 20 0 GIADRO CC(C)[C@H]([NH2+]Cc1cccc(OCC(N)=O)c1)c1cccc(C(F)(F)F)c1 ZINC000180135928 822623737 /nfs/dbraw/zinc/62/37/37/822623737.db2.gz JPYJDBDZAZOIKH-IBGZPJMESA-N 1 0 380.410 4.056 20 0 GIADRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+][C@@H](C)c3nc4ccccc4n3C)ccc2NC1=O ZINC000180139434 822624528 /nfs/dbraw/zinc/62/45/28/822624528.db2.gz CLZHEUXBNNBBDV-TYILLQQXSA-N 1 0 378.476 4.095 20 0 GIADRO O=C(Nc1ccc(Cl)c(OC(F)F)c1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000180145049 822625929 /nfs/dbraw/zinc/62/59/29/822625929.db2.gz CVGQBNFXQYWAHC-MLGOLLRUSA-N 1 0 399.869 4.422 20 0 GIADRO C[C@@H]([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)c1nc2ccc(Cl)cc2n1C ZINC000180146016 822626124 /nfs/dbraw/zinc/62/61/24/822626124.db2.gz HECKFUVTZDAVQR-GFCCVEGCSA-N 1 0 380.920 4.181 20 0 GIADRO Cc1c(NC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)cccc1N(C)C ZINC000180145737 822626145 /nfs/dbraw/zinc/62/61/45/822626145.db2.gz KGNZMCGYSDKRFQ-UHFFFAOYSA-N 1 0 380.536 4.189 20 0 GIADRO C[C@@H]([NH2+][C@H](c1ccccc1F)C1CCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000180150505 822627477 /nfs/dbraw/zinc/62/74/77/822627477.db2.gz OOZYBECKUOQSIB-VLIAUNLRSA-N 1 0 376.497 4.055 20 0 GIADRO C[C@H]([NH2+][C@@H](c1cccc(F)c1)C1CCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000180151959 822627638 /nfs/dbraw/zinc/62/76/38/822627638.db2.gz NYVWAPIJSBDMHF-VBKZILBWSA-N 1 0 376.497 4.055 20 0 GIADRO C[C@@H](Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1nc2ccccc2n1C ZINC000180156252 822628855 /nfs/dbraw/zinc/62/88/55/822628855.db2.gz MGBYJBAOYYDAIW-GOSISDBHSA-N 1 0 389.547 4.278 20 0 GIADRO Cc1ccc(C(=O)CCCC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)cc1 ZINC000184403016 822629011 /nfs/dbraw/zinc/62/90/11/822629011.db2.gz VUSDWJKERNYGJP-UHFFFAOYSA-N 1 0 393.531 4.047 20 0 GIADRO C[N@@H+]1CC[C@@H](NC(=O)Cc2csc(-c3cccc(F)c3)n2)[C@@H]1c1ccccc1 ZINC000180159504 822629362 /nfs/dbraw/zinc/62/93/62/822629362.db2.gz BRTPFXBGBGJWPS-CTNGQTDRSA-N 1 0 395.503 4.053 20 0 GIADRO COc1ccc([C@H]([NH2+]C[C@H](c2ccc(OC)c(OC)c2)N(C)C)C2CC2)cc1 ZINC000180159145 822629441 /nfs/dbraw/zinc/62/94/41/822629441.db2.gz CRBZQZMLDBCIHS-NFBKMPQASA-N 1 0 384.520 4.056 20 0 GIADRO FC(F)(F)CCN1CCC([NH2+]CCOc2cccc(C(F)(F)F)c2)CC1 ZINC000180159750 822629567 /nfs/dbraw/zinc/62/95/67/822629567.db2.gz XYHQOZYQNYXDNV-UHFFFAOYSA-N 1 0 384.364 4.091 20 0 GIADRO Cc1ccc([C@@H](C[NH2+][C@@H](c2ccccc2)c2ccccn2)N2CCOCC2)cc1 ZINC000180174191 822632576 /nfs/dbraw/zinc/63/25/76/822632576.db2.gz XNHDPYLGKBRPLS-RPBOFIJWSA-N 1 0 387.527 4.143 20 0 GIADRO Cc1c(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cccc1N(C)C ZINC000180177986 822633196 /nfs/dbraw/zinc/63/31/96/822633196.db2.gz KCGVLVGNIPTTGW-YLJYHZDGSA-N 1 0 380.536 4.236 20 0 GIADRO Cc1c(-c2cc(C[NH+]3CCC(c4nc5ccccc5s4)CC3)on2)cnn1C ZINC000184432644 822633901 /nfs/dbraw/zinc/63/39/01/822633901.db2.gz XJJAAUUHDDIFBG-UHFFFAOYSA-N 1 0 393.516 4.373 20 0 GIADRO COCc1nc2n(n1)C[C@@H]([NH2+][C@@H](c1ccc(Cl)c(Cl)c1)C(C)C)CC2 ZINC000180189304 822635646 /nfs/dbraw/zinc/63/56/46/822635646.db2.gz GZDYTLJWGXMXOP-SCLBCKFNSA-N 1 0 383.323 4.033 20 0 GIADRO Cc1cc(OC(C)C)ccc1NC(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000048122766 822635747 /nfs/dbraw/zinc/63/57/47/822635747.db2.gz IPZIKJDAJYYNLL-UHFFFAOYSA-N 1 0 385.508 4.044 20 0 GIADRO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000048131994 822636946 /nfs/dbraw/zinc/63/69/46/822636946.db2.gz RUHAXJFNXZKOOI-ZDUSSCGKSA-N 1 0 381.879 4.149 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)Nc2ccc(N3CCCC3)c(F)c2)CC1 ZINC000048139807 822638034 /nfs/dbraw/zinc/63/80/34/822638034.db2.gz SXWLNNCNKJZLHL-UHFFFAOYSA-N 1 0 376.520 4.010 20 0 GIADRO O=C(c1ccccc1)N1CCC([NH2+]Cc2c[nH]nc2-c2cccc(Cl)c2)CC1 ZINC000180201426 822638299 /nfs/dbraw/zinc/63/82/99/822638299.db2.gz WEOZWYWEWODRJW-UHFFFAOYSA-N 1 0 394.906 4.125 20 0 GIADRO Cc1cc(C[NH2+]C2CCN(C(=O)c3ccccc3)CC2)c(OC(F)F)cc1C ZINC000180202181 822638648 /nfs/dbraw/zinc/63/86/48/822638648.db2.gz RMBWBCDOFAIZLM-UHFFFAOYSA-N 1 0 388.458 4.299 20 0 GIADRO COCCC(C)(C)C[NH2+][C@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1 ZINC000184457235 822638781 /nfs/dbraw/zinc/63/87/81/822638781.db2.gz DERKDLORTFJLNQ-NRFANRHFSA-N 1 0 384.520 4.336 20 0 GIADRO COCCC(C)(C)C[NH2+][C@@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1 ZINC000184457218 822638802 /nfs/dbraw/zinc/63/88/02/822638802.db2.gz DERKDLORTFJLNQ-OAQYLSRUSA-N 1 0 384.520 4.336 20 0 GIADRO CC(C)OC(=O)C[C@H]1CCC[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000184460394 822639404 /nfs/dbraw/zinc/63/94/04/822639404.db2.gz YRQBQULTIIFCRR-HXUWFJFHSA-N 1 0 394.515 4.493 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)Nc2cccc(C(=O)N3CCCC3)c2)cc1 ZINC000048156349 822640913 /nfs/dbraw/zinc/64/09/13/822640913.db2.gz NHPKCOISUQWJEU-UHFFFAOYSA-N 1 0 379.504 4.017 20 0 GIADRO C[C@@H](c1ccc(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)cc1)C(F)(F)F ZINC000455365366 822641022 /nfs/dbraw/zinc/64/10/22/822641022.db2.gz GXRBLNFYCIUHEF-HNNXBMFYSA-N 1 0 394.437 4.223 20 0 GIADRO Cc1csc(CNC(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000455365340 822641060 /nfs/dbraw/zinc/64/10/60/822641060.db2.gz XBBPNZWEEWRFMR-UHFFFAOYSA-N 1 0 383.561 4.254 20 0 GIADRO Cc1c(-c2cc(C[NH+]3CCC(Oc4cc(C)ccc4C)CC3)on2)cnn1C ZINC000184470707 822641881 /nfs/dbraw/zinc/64/18/81/822641881.db2.gz HLFBOWIYJZKBOZ-UHFFFAOYSA-N 1 0 380.492 4.044 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(-c2ccccc2F)o1 ZINC000180221867 822642250 /nfs/dbraw/zinc/64/22/50/822642250.db2.gz UXYADCGGUIXWSL-UHFFFAOYSA-N 1 0 379.435 4.127 20 0 GIADRO C[NH+](C)Cc1ccccc1NC(=O)CCCOc1cccc(Br)c1 ZINC000048174249 822642238 /nfs/dbraw/zinc/64/22/38/822642238.db2.gz RJQQODXSAGFPNM-UHFFFAOYSA-N 1 0 391.309 4.308 20 0 GIADRO COc1ccc([C@H](C)NC(=O)NCc2ccccc2C[N@H+](C)C(C)C)cc1F ZINC000048176874 822642397 /nfs/dbraw/zinc/64/23/97/822642397.db2.gz ZVDGMPZIKQNYHR-INIZCTEOSA-N 1 0 387.499 4.235 20 0 GIADRO Cn1cc(C[NH2+]C[C@H](O)c2ccc(C(C)(C)C)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000180222653 822642448 /nfs/dbraw/zinc/64/24/48/822642448.db2.gz TWZUXMPAFYXHLO-QFIPXVFZSA-N 1 0 388.515 4.079 20 0 GIADRO C[N@H+](CCCCNC(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1)C1CC1 ZINC000455374531 822642705 /nfs/dbraw/zinc/64/27/05/822642705.db2.gz WAUILJOJJZSYFU-UHFFFAOYSA-N 1 0 393.837 4.277 20 0 GIADRO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000180225522 822643216 /nfs/dbraw/zinc/64/32/16/822643216.db2.gz CQKZHLLQIIHHBJ-ZIAGYGMSSA-N 1 0 385.451 4.391 20 0 GIADRO C[C@@H](Sc1ccccc1Cl)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180225752 822643235 /nfs/dbraw/zinc/64/32/35/822643235.db2.gz LRTPXHGPCYCKCJ-OAHLLOKOSA-N 1 0 389.952 4.248 20 0 GIADRO C[C@H](CCc1ccccc1)NC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180230564 822644443 /nfs/dbraw/zinc/64/44/43/822644443.db2.gz LSFUYWWPUKVPDS-HXUWFJFHSA-N 1 0 394.563 4.351 20 0 GIADRO COc1ccc(C(C)(C)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)cc1OC ZINC000180232069 822644607 /nfs/dbraw/zinc/64/46/07/822644607.db2.gz XDIBNNAESVADKO-UHFFFAOYSA-N 1 0 396.531 4.258 20 0 GIADRO COc1ccc(NC(=O)[C@@H]([NH2+]C[C@@H](C)c2nccs2)c2ccccc2)cc1 ZINC000184489603 822644744 /nfs/dbraw/zinc/64/47/44/822644744.db2.gz XYQGJASNQYORMK-BEFAXECRSA-N 1 0 381.501 4.225 20 0 GIADRO Cn1cc(C[NH2+]CCc2nc(-c3cccc(Cl)c3)no2)c(-c2ccccc2)n1 ZINC000180237101 822645629 /nfs/dbraw/zinc/64/56/29/822645629.db2.gz COPNNASUZYVSJY-UHFFFAOYSA-N 1 0 393.878 4.123 20 0 GIADRO COC[C@H]([NH2+]C1CCC2(CC1)C(=O)Nc1ccccc12)c1ccc(F)c(F)c1 ZINC000180237905 822645831 /nfs/dbraw/zinc/64/58/31/822645831.db2.gz YRTBYMUGQCHMMC-BGWLNWIQSA-N 1 0 386.442 4.075 20 0 GIADRO CC(C)c1noc(Cc2ccc(NC(=O)NC(C)(C)CCC[NH+](C)C)cc2)n1 ZINC000455393969 822645972 /nfs/dbraw/zinc/64/59/72/822645972.db2.gz HTQOYSPLLLQBOU-UHFFFAOYSA-N 1 0 387.528 4.026 20 0 GIADRO COc1c(Br)cccc1C[NH2+]Cc1cn(C)nc1-c1ccccc1 ZINC000180242941 822646842 /nfs/dbraw/zinc/64/68/42/822646842.db2.gz PXLXKQKSXVZXBS-UHFFFAOYSA-N 1 0 386.293 4.148 20 0 GIADRO Cc1cc2ncn(C[C@@H](O)C[NH2+][C@@H](C)c3nc(C(C)(C)C)cs3)c2cc1C ZINC000184505116 822646926 /nfs/dbraw/zinc/64/69/26/822646926.db2.gz KGWUGFJDDVHEOJ-HOTGVXAUSA-N 1 0 386.565 4.119 20 0 GIADRO C[C@H]([NH2+]CCCOCCO)c1ccc(-c2ccccc2Br)s1 ZINC000180245717 822647513 /nfs/dbraw/zinc/64/75/13/822647513.db2.gz BBOFPTDAGZNRTA-ZDUSSCGKSA-N 1 0 384.339 4.227 20 0 GIADRO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc3c(c2)OCCCO3)c2ccc(F)cc2C1 ZINC000184511794 822648068 /nfs/dbraw/zinc/64/80/68/822648068.db2.gz KXCOHSCQIFXETI-YCRPNKLZSA-N 1 0 398.478 4.131 20 0 GIADRO Cc1ccc(NC(=O)C(C)C)cc1NC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000048255321 822648770 /nfs/dbraw/zinc/64/87/70/822648770.db2.gz GIXMTJHMGGQBTK-QGZVFWFLSA-N 1 0 388.537 4.075 20 0 GIADRO CCC(=O)Nc1ccc(C)c(NC(=O)NC[C@@H](CC(C)C)[NH+](CC)CC)c1 ZINC000048258783 822649687 /nfs/dbraw/zinc/64/96/87/822649687.db2.gz JJKNXYWVJGQMAW-GOSISDBHSA-N 1 0 376.545 4.222 20 0 GIADRO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000180259105 822649805 /nfs/dbraw/zinc/64/98/05/822649805.db2.gz IMLJZXOSQIQYNQ-MJGOQNOKSA-N 1 0 398.551 4.212 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)Nc2ccc3c(c2)N(C)CC3)CC1 ZINC000180264397 822650750 /nfs/dbraw/zinc/65/07/50/822650750.db2.gz PVTJNVODWHBGJF-QGZVFWFLSA-N 1 0 378.520 4.026 20 0 GIADRO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)CC3 ZINC000180274778 822652499 /nfs/dbraw/zinc/65/24/99/822652499.db2.gz WOQDQLGFIKYPAC-RDJZCZTQSA-N 1 0 382.529 4.088 20 0 GIADRO COc1ccc([C@@H](NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)C2CC2)cc1 ZINC000048304574 822652504 /nfs/dbraw/zinc/65/25/04/822652504.db2.gz HPINHIUSPLAGGW-QHCPKHFHSA-N 1 0 393.531 4.242 20 0 GIADRO COc1ccc([C@H](NC(=O)NCc2ccccc2C[N@H+](C)C(C)C)C2CC2)cc1 ZINC000048304541 822652526 /nfs/dbraw/zinc/65/25/26/822652526.db2.gz FYGJVBMKIVKNCR-HSZRJFAPSA-N 1 0 395.547 4.486 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)COc1cccc2[nH]ccc21)c1nc(-c2ccccc2)cs1 ZINC000184534640 822652679 /nfs/dbraw/zinc/65/26/79/822652679.db2.gz QVNXYAIMSLBXKW-NVXWUHKLSA-N 1 0 393.512 4.382 20 0 GIADRO O=C(O[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(-c2cncnc2)cc1F ZINC000184534484 822652686 /nfs/dbraw/zinc/65/26/86/822652686.db2.gz YUUWIVRXDGCYAH-FQEVSTJZSA-N 1 0 391.446 4.104 20 0 GIADRO Cc1csc(NC(=O)C[NH2+][C@@H](C)c2sc(-c3ccc(C)cc3)nc2C)n1 ZINC000184539813 822653959 /nfs/dbraw/zinc/65/39/59/822653959.db2.gz DGPCBURTNTYJNK-ZDUSSCGKSA-N 1 0 386.546 4.481 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(C)c(NC(C)=O)c1)Cc1ccccc1 ZINC000048361744 822656194 /nfs/dbraw/zinc/65/61/94/822656194.db2.gz ZZUSPOQCHGSTOA-NRFANRHFSA-N 1 0 396.535 4.028 20 0 GIADRO CN(C)C(=O)CCC[NH2+][C@H](c1ccccc1)c1cc(Br)ccc1F ZINC000180300468 822659578 /nfs/dbraw/zinc/65/95/78/822659578.db2.gz GMDDNWGPCWMEMG-LJQANCHMSA-N 1 0 393.300 4.136 20 0 GIADRO Cc1c2ccccc2oc1[C@@H](C)NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180310951 822661486 /nfs/dbraw/zinc/66/14/86/822661486.db2.gz UXNYIWYEFOXCFZ-QGZVFWFLSA-N 1 0 392.503 4.413 20 0 GIADRO Cc1ccc(NC(=O)c2nnc(/C(Cl)=C/c3cccc4nccn43)s2)cc1 ZINC000180311619 822661628 /nfs/dbraw/zinc/66/16/28/822661628.db2.gz JEVPWKXRWHGYRN-PTNGSMBKSA-N 1 0 395.875 4.483 20 0 GIADRO CC(C)C(=O)Nc1ccc(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)cc1 ZINC000180314750 822662009 /nfs/dbraw/zinc/66/20/09/822662009.db2.gz IGMDOTVDUIVRPE-UHFFFAOYSA-N 1 0 379.504 4.172 20 0 GIADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)Nc1ccc(OC)c(F)c1 ZINC000048450187 822662740 /nfs/dbraw/zinc/66/27/40/822662740.db2.gz VTTZFBRGAKWAGT-UHFFFAOYSA-N 1 0 379.501 4.272 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)N1CCC[C@@H]1Cc1ccccc1Cl ZINC000455498848 822666332 /nfs/dbraw/zinc/66/63/32/822666332.db2.gz AXKWCTRVINOKMN-LJQANCHMSA-N 1 0 375.944 4.073 20 0 GIADRO CCCCOc1ccc([C@@H](C)[NH2+]Cc2cnn(C)c2C(F)(F)F)cc1OC ZINC000180346451 822667320 /nfs/dbraw/zinc/66/73/20/822667320.db2.gz TYZUDWFOOSFRFO-CYBMUJFWSA-N 1 0 385.430 4.477 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N(Cc1ccccc1)CC(C)(C)O ZINC000180348797 822667734 /nfs/dbraw/zinc/66/77/34/822667734.db2.gz AOTZZGZKPLWJNH-UHFFFAOYSA-N 1 0 397.563 4.010 20 0 GIADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)Nc2ccc(-c3ccncc3)c(C)c2)C1 ZINC000455506009 822667813 /nfs/dbraw/zinc/66/78/13/822667813.db2.gz LJYPFMMKHSHYTR-NRFANRHFSA-N 1 0 396.535 4.022 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)Nc2cccc(OCC#N)c2)cc1 ZINC000048509191 822668763 /nfs/dbraw/zinc/66/87/63/822668763.db2.gz BVBFSNBFUBXAGE-GOSISDBHSA-N 1 0 392.503 4.285 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Nc2cccc(OCC#N)c2)C1 ZINC000048509295 822668813 /nfs/dbraw/zinc/66/88/13/822668813.db2.gz JXGFWSATOBDEDG-GOSISDBHSA-N 1 0 392.503 4.143 20 0 GIADRO C[NH+](C)[C@@H]1Cc2ccccc2N(C(=O)c2csc(-c3ccc(F)c(F)c3)n2)C1 ZINC000180355424 822669278 /nfs/dbraw/zinc/66/92/78/822669278.db2.gz GZLDJVMCXXPUBN-OAHLLOKOSA-N 1 0 399.466 4.221 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCC1)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000184636459 822669379 /nfs/dbraw/zinc/66/93/79/822669379.db2.gz UHTQLZFXSMYXTA-MSOLQXFVSA-N 1 0 388.433 4.120 20 0 GIADRO CCOc1cccc2cc([C@@H](C)[NH2+]CC(=O)Nc3ccnn3C3CCCC3)oc21 ZINC000180360242 822670067 /nfs/dbraw/zinc/67/00/67/822670067.db2.gz KWRBRMHMWKDMFM-OAHLLOKOSA-N 1 0 396.491 4.432 20 0 GIADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)Nc2ccc3c(c2)OC(C)(C)O3)CC1 ZINC000048540968 822670949 /nfs/dbraw/zinc/67/09/49/822670949.db2.gz GFLLXNGYUMGQRH-UHFFFAOYSA-N 1 0 395.503 4.242 20 0 GIADRO COc1ccc([C@@H](C)[C@H](C)Nc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)cc1 ZINC000184653413 822671206 /nfs/dbraw/zinc/67/12/06/822671206.db2.gz NNTLIUICBNKTLM-ROUUACIJSA-N 1 0 383.536 4.498 20 0 GIADRO C[C@H]([NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)c1nc(-c2cccc(F)c2)no1 ZINC000184665837 822672996 /nfs/dbraw/zinc/67/29/96/822672996.db2.gz WZWAOCNAGMPLHE-CBCUQQMYSA-N 1 0 389.471 4.427 20 0 GIADRO Cc1cc2ncc([C@@H](C)[NH2+]Cc3cc4cc(Br)ccc4[nH]3)c(C)n2n1 ZINC000184677707 822674669 /nfs/dbraw/zinc/67/46/69/822674669.db2.gz OOSZHDUVRXYHIG-GFCCVEGCSA-N 1 0 398.308 4.441 20 0 GIADRO O=C(N[C@H](c1ccc(F)c(Cl)c1)C1CC1)NC1CC[NH+](C2CCC2)CC1 ZINC000455561697 822675069 /nfs/dbraw/zinc/67/50/69/822675069.db2.gz NDLYNHBGJNJUGS-IBGZPJMESA-N 1 0 379.907 4.246 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)Nc2cc(F)cc(F)c2F)CC1 ZINC000455568570 822675919 /nfs/dbraw/zinc/67/59/19/822675919.db2.gz RFKUSTNJCJCUNS-ZDUSSCGKSA-N 1 0 377.410 4.451 20 0 GIADRO C[C@@H](c1cnccn1)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000184684093 822676215 /nfs/dbraw/zinc/67/62/15/822676215.db2.gz DQXDNSFIOYCSSG-HNNXBMFYSA-N 1 0 378.442 4.153 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)c(OC)c1 ZINC000180408159 822676577 /nfs/dbraw/zinc/67/65/77/822676577.db2.gz JPCOGAZCOVWGKE-QGZVFWFLSA-N 1 0 382.504 4.181 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(-n2ccnc2)cc1 ZINC000180408705 822676589 /nfs/dbraw/zinc/67/65/89/822676589.db2.gz KXFVHLJWHCMUJU-LJQANCHMSA-N 1 0 388.515 4.349 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(F)cc1N(C)C ZINC000180409079 822676889 /nfs/dbraw/zinc/67/68/89/822676889.db2.gz YBWLJYONUPQOFE-QGZVFWFLSA-N 1 0 383.511 4.369 20 0 GIADRO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1scnc1C1CCCC1 ZINC000184692019 822677701 /nfs/dbraw/zinc/67/77/01/822677701.db2.gz MXQIJJMJIAKCGI-GOSISDBHSA-N 1 0 383.561 4.095 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2ncccc2C(F)(F)F)CC1 ZINC000180413348 822677722 /nfs/dbraw/zinc/67/77/22/822677722.db2.gz DTAUMGAKSBJVFT-OAHLLOKOSA-N 1 0 383.458 4.217 20 0 GIADRO Cc1ccc2cc(C(=O)Nc3ccc(N4CCC([NH+](C)C)CC4)cc3)ccc2n1 ZINC000180418001 822678256 /nfs/dbraw/zinc/67/82/56/822678256.db2.gz KWTPXUYQEHGLHW-UHFFFAOYSA-N 1 0 388.515 4.326 20 0 GIADRO COc1cc(NC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc(OC)c1C ZINC000455583300 822678380 /nfs/dbraw/zinc/67/83/80/822678380.db2.gz YQBHXUXXFIZUML-INIZCTEOSA-N 1 0 389.521 4.032 20 0 GIADRO Cn1cc(C[NH2+]C2CCC3(CC2)C(=O)Nc2ccccc23)c(-c2ccccc2)n1 ZINC000180420324 822678670 /nfs/dbraw/zinc/67/86/70/822678670.db2.gz GOCIWEMCGNKQJA-UHFFFAOYSA-N 1 0 386.499 4.009 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)C(C)(C)Oc3ccc(F)cc3)cc2)CC1 ZINC000180423460 822679065 /nfs/dbraw/zinc/67/90/65/822679065.db2.gz YAJQOEZEFOJBBV-UHFFFAOYSA-N 1 0 399.510 4.152 20 0 GIADRO CCOc1ccc(C2=CC[N@H+](Cc3cc(-c4cnn(C)c4C)no3)CC2)cc1 ZINC000184707419 822679968 /nfs/dbraw/zinc/67/99/68/822679968.db2.gz WESBASSGFOFNOE-UHFFFAOYSA-N 1 0 378.476 4.072 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@]3(C)CCCc4ccccc43)cc2)CC1 ZINC000180428691 822680010 /nfs/dbraw/zinc/68/00/10/822680010.db2.gz YLGQJBNSRSAEGY-RUZDIDTESA-N 1 0 391.559 4.450 20 0 GIADRO O=C(NCCC1CC(F)(F)C1)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000455591551 822680127 /nfs/dbraw/zinc/68/01/27/822680127.db2.gz BVGFCZCXPIHNJE-PMACEKPBSA-N 1 0 391.506 4.118 20 0 GIADRO COc1ccc(Cl)cc1C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180431241 822680488 /nfs/dbraw/zinc/68/04/88/822680488.db2.gz LJEIYFMTPSXAOK-UHFFFAOYSA-N 1 0 387.911 4.122 20 0 GIADRO Cc1ccc(C(=O)CCC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000180430458 822680535 /nfs/dbraw/zinc/68/05/35/822680535.db2.gz KHPGXZRSVDYNJT-UHFFFAOYSA-N 1 0 399.560 4.180 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)C/C=C/c1ccccc1F ZINC000180432818 822680715 /nfs/dbraw/zinc/68/07/15/822680715.db2.gz OXCYTWASSKWFFH-GQCTYLIASA-N 1 0 381.495 4.389 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)N[C@H](c1ccccc1)C(F)F ZINC000455594634 822680920 /nfs/dbraw/zinc/68/09/20/822680920.db2.gz IPNLTCZIAIFGMU-GOSISDBHSA-N 1 0 397.416 4.044 20 0 GIADRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)N[C@@H](c3ccccc3)C(F)F)C2)CC1 ZINC000455595377 822680926 /nfs/dbraw/zinc/68/09/26/822680926.db2.gz JPOPBRPQPDVMFL-HKUYNNGSSA-N 1 0 379.495 4.146 20 0 GIADRO CC[C@@H]([NH2+]Cc1cccc(C(F)(F)F)c1)c1ccccc1OCC(=O)NC ZINC000048749876 822681205 /nfs/dbraw/zinc/68/12/05/822681205.db2.gz GVIOZTFLUDPFJS-QGZVFWFLSA-N 1 0 380.410 4.071 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2Cl)c1 ZINC000180436684 822681544 /nfs/dbraw/zinc/68/15/44/822681544.db2.gz KWLJVLIOZJYWAJ-NSHDSACASA-N 1 0 380.275 4.241 20 0 GIADRO O=C(N[C@H](c1ccccc1)C(F)F)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000455599216 822681781 /nfs/dbraw/zinc/68/17/81/822681781.db2.gz OMNCSTOOHASWGQ-IEBWSBKVSA-N 1 0 379.495 4.290 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000180441607 822682631 /nfs/dbraw/zinc/68/26/31/822682631.db2.gz AJSSYWYSMNMXDY-PZJWPPBQSA-N 1 0 399.485 4.228 20 0 GIADRO COc1ccc(C[NH2+]C2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1O ZINC000048779108 822682681 /nfs/dbraw/zinc/68/26/81/822682681.db2.gz TUFPWBKEOXDICO-UHFFFAOYSA-N 1 0 394.437 4.174 20 0 GIADRO COc1ccc([C@H](NC(=O)NCCCC[N@H+](C)C2CC2)c2ccc(C)cc2)cc1 ZINC000455603405 822682762 /nfs/dbraw/zinc/68/27/62/822682762.db2.gz FBIHDNCWWBMUQE-HSZRJFAPSA-N 1 0 395.547 4.267 20 0 GIADRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)N[C@@H](c1ccccc1)C(F)F ZINC000455603247 822682783 /nfs/dbraw/zinc/68/27/83/822682783.db2.gz SFMUYDGWYNURLH-QAPCUYQASA-N 1 0 393.503 4.266 20 0 GIADRO COc1cccc(C[NH2+]Cc2cccc(NC(=O)c3ccc(F)cc3)c2)c1OC ZINC000048781040 822682854 /nfs/dbraw/zinc/68/28/54/822682854.db2.gz WLKFMVHMLSXKEZ-UHFFFAOYSA-N 1 0 394.446 4.385 20 0 GIADRO COCc1cccc(CNC(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)c1 ZINC000048807520 822683927 /nfs/dbraw/zinc/68/39/27/822683927.db2.gz QUUFVYYGIFXZEK-UHFFFAOYSA-N 1 0 395.547 4.064 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)N[C@@H](c2ccccc2)C(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000455610258 822684119 /nfs/dbraw/zinc/68/41/19/822684119.db2.gz BFSIJFGBMQPLBC-UXPWSPDFSA-N 1 0 387.474 4.345 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000180449762 822684285 /nfs/dbraw/zinc/68/42/85/822684285.db2.gz YDOXBIRJOHMOQU-PMACEKPBSA-N 1 0 399.485 4.228 20 0 GIADRO COc1cccc2[nH]cc(CC[NH2+]Cc3cccc(OC)c3OC(F)F)c21 ZINC000180452399 822684863 /nfs/dbraw/zinc/68/48/63/822684863.db2.gz LGXWZKQQSRJZHI-UHFFFAOYSA-N 1 0 376.403 4.119 20 0 GIADRO COCc1ccccc1CNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000048828371 822684913 /nfs/dbraw/zinc/68/49/13/822684913.db2.gz OLVNGEWEYFZUGV-IBGZPJMESA-N 1 0 395.547 4.064 20 0 GIADRO C[N@H+](CCCCNC(=O)N1CCC[C@@H]1c1cccc(Br)c1)C1CC1 ZINC000455622679 822685675 /nfs/dbraw/zinc/68/56/75/822685675.db2.gz VAVRZMJPHNJPNJ-GOSISDBHSA-N 1 0 394.357 4.170 20 0 GIADRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)CSCc2cccnc2)C1 ZINC000048886608 822687997 /nfs/dbraw/zinc/68/79/97/822687997.db2.gz PCWREWQBEXICCH-OALUTQOASA-N 1 0 397.588 4.109 20 0 GIADRO CCc1ccccc1NC(=O)C[C@H](C)[NH2+]Cc1nc2ccccc2n1C1CC1 ZINC000184774548 822689198 /nfs/dbraw/zinc/68/91/98/822689198.db2.gz ZSLVHGOSSGQKNH-INIZCTEOSA-N 1 0 376.504 4.441 20 0 GIADRO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2nc3ccccc3n2C2CC2)c(C)c1 ZINC000184776928 822689437 /nfs/dbraw/zinc/68/94/37/822689437.db2.gz WKNTXNDVQUMVDY-QGZVFWFLSA-N 1 0 376.504 4.495 20 0 GIADRO CCC[C@H](NC(=O)C(=O)Nc1cccc(C[NH+](CC)CC)c1)c1ccccc1 ZINC000048962777 822689582 /nfs/dbraw/zinc/68/95/82/822689582.db2.gz ITJGSTNXTXAZHI-NRFANRHFSA-N 1 0 381.520 4.125 20 0 GIADRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]C[C@H](O)c3ccc(C#N)cc3)s2)cc1 ZINC000184787916 822690905 /nfs/dbraw/zinc/69/09/05/822690905.db2.gz UKZBYDQTBGVJEB-VLIAUNLRSA-N 1 0 393.512 4.383 20 0 GIADRO Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000180503328 822692153 /nfs/dbraw/zinc/69/21/53/822692153.db2.gz ICUNAJDJVORMML-KNQAVFIVSA-N 1 0 394.563 4.033 20 0 GIADRO O=C(CCCCc1nc2ccccc2s1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000049073255 822692236 /nfs/dbraw/zinc/69/22/36/822692236.db2.gz RNMHUFMPHBZQDD-UHFFFAOYSA-N 1 0 385.577 4.344 20 0 GIADRO CCCCOc1ccc(C(=O)N2CCC(C[NH+](CC)CC)CC2)cc1OC ZINC000049075971 822692402 /nfs/dbraw/zinc/69/24/02/822692402.db2.gz IDCMWEHJVJMJSK-UHFFFAOYSA-N 1 0 376.541 4.068 20 0 GIADRO Oc1ccc(Br)c(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)c1 ZINC000180507180 822692995 /nfs/dbraw/zinc/69/29/95/822692995.db2.gz QXYUCJWDRUAJMA-CZUORRHYSA-N 1 0 382.323 4.304 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+]Cc1cc(Br)c(OC)c(OC)c1)CC2 ZINC000180506992 822693104 /nfs/dbraw/zinc/69/31/04/822693104.db2.gz QNAXOUBZDMIGCF-QGZVFWFLSA-N 1 0 392.293 4.252 20 0 GIADRO C[C@@H]([NH2+]C(C)(C)CNC(=O)Nc1ccc([C@H]2CCOC2)cc1)c1ccccc1 ZINC000455663138 822694486 /nfs/dbraw/zinc/69/44/86/822694486.db2.gz LEOBMISYDFHPEL-XLIONFOSSA-N 1 0 381.520 4.441 20 0 GIADRO O=C(NNc1cc[nH+]cc1)c1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1 ZINC000180522354 822695567 /nfs/dbraw/zinc/69/55/67/822695567.db2.gz YPVYMTQTZNWIEP-UHFFFAOYSA-N 1 0 389.846 4.345 20 0 GIADRO O=C1Nc2ccccc2C12CCC([NH2+]Cc1cccc(OCC(F)F)c1)CC2 ZINC000180527588 822696550 /nfs/dbraw/zinc/69/65/50/822696550.db2.gz VHPSHIDANSOHMH-UHFFFAOYSA-N 1 0 386.442 4.253 20 0 GIADRO Cc1noc(C)c1[C@@H](C)CC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000184834110 822697456 /nfs/dbraw/zinc/69/74/56/822697456.db2.gz OAPFJEFPSHYSHL-SJCJKPOMSA-N 1 0 397.441 4.223 20 0 GIADRO Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]CCc1cccc(C(N)=O)c1 ZINC000180533368 822697624 /nfs/dbraw/zinc/69/76/24/822697624.db2.gz XFPWYOXOABOEAZ-OAHLLOKOSA-N 1 0 379.529 4.035 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCc2ccc(Cl)cn2)cc1 ZINC000180536314 822698205 /nfs/dbraw/zinc/69/82/05/822698205.db2.gz CORACZYWYYQXBM-INIZCTEOSA-N 1 0 386.927 4.109 20 0 GIADRO CN(C(=O)Nc1ccc([C@@H]2CCOC2)cc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000455678054 822698561 /nfs/dbraw/zinc/69/85/61/822698561.db2.gz WPFJERMUIUQWCT-FYYLOGMGSA-N 1 0 393.531 4.319 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)Nc2cc(F)c(Br)cc2C)CC1 ZINC000184842849 822698801 /nfs/dbraw/zinc/69/88/01/822698801.db2.gz SLICKCWNOYKJFS-UHFFFAOYSA-N 1 0 386.309 4.235 20 0 GIADRO O=C(Nc1ccc([C@H]2CCOC2)cc1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000455679556 822698891 /nfs/dbraw/zinc/69/88/91/822698891.db2.gz ZZKMBXQKENMYPA-CTNGQTDRSA-N 1 0 385.552 4.310 20 0 GIADRO Cc1cc(Br)c(F)cc1NC(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000184848321 822699775 /nfs/dbraw/zinc/69/97/75/822699775.db2.gz JAZHIZLOUPFAJW-UHFFFAOYSA-N 1 0 398.276 4.085 20 0 GIADRO CC(C)c1ccccc1NC(=O)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000049395341 822700175 /nfs/dbraw/zinc/70/01/75/822700175.db2.gz LBZJGODMNRPORO-UHFFFAOYSA-N 1 0 393.531 4.051 20 0 GIADRO CC1(C(=O)N(CCC(F)(F)F)CC2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000184855442 822701087 /nfs/dbraw/zinc/70/10/87/822701087.db2.gz PXEPDULMNMSPMV-UHFFFAOYSA-N 1 0 382.470 4.480 20 0 GIADRO CC[NH+](CC)CCOc1ccc(NC(=O)c2ccc(N3CCC(C)=N3)cc2)cc1 ZINC000049636418 822703482 /nfs/dbraw/zinc/70/34/82/822703482.db2.gz LPCQUMAIWIKWDF-UHFFFAOYSA-N 1 0 394.519 4.246 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCO2)c1cc(Br)ccc1O ZINC000184875203 822705088 /nfs/dbraw/zinc/70/50/88/822705088.db2.gz IXVCCOUWWPZLRS-NWDGAFQWSA-N 1 0 378.266 4.338 20 0 GIADRO Cc1ccc(C)c([C@H](NC2CC[NH+](C[C@H]3CCOC3)CC2)c2ccccc2)c1 ZINC000180575825 822705127 /nfs/dbraw/zinc/70/51/27/822705127.db2.gz HCTQHHHXWBCKCM-PXDATVDWSA-N 1 0 378.560 4.483 20 0 GIADRO CCc1ccc([C@H]([NH2+]CCCSC)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000180575505 822705173 /nfs/dbraw/zinc/70/51/73/822705173.db2.gz KZVIKODZFHNERO-FQEVSTJZSA-N 1 0 377.575 4.085 20 0 GIADRO C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000184878954 822706015 /nfs/dbraw/zinc/70/60/15/822706015.db2.gz RQYXDDCRMOUJTQ-AWEZNQCLSA-N 1 0 390.886 4.066 20 0 GIADRO COc1cc(OC)c(OC)cc1C[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000184883400 822706553 /nfs/dbraw/zinc/70/65/53/822706553.db2.gz OUBCWDOTCGYICT-LLVKDONJSA-N 1 0 396.281 4.031 20 0 GIADRO CN1C[C@H]([NH2+][C@H](c2ccc(Cl)cc2)c2ccc(OC(F)F)cc2)CCC1=O ZINC000180586392 822706607 /nfs/dbraw/zinc/70/66/07/822706607.db2.gz LQWSUPKAZWESSC-VQIMIIECSA-N 1 0 394.849 4.241 20 0 GIADRO COc1cc(OC)c(OC)cc1C[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000184883743 822706612 /nfs/dbraw/zinc/70/66/12/822706612.db2.gz UGXLBCLXLHQVBN-LLVKDONJSA-N 1 0 396.281 4.031 20 0 GIADRO O=C(N[C@@H](CC1CCC1)c1ccccc1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000180602076 822709219 /nfs/dbraw/zinc/70/92/19/822709219.db2.gz HPRJWGGTAZLKLP-QHCPKHFHSA-N 1 0 392.547 4.277 20 0 GIADRO CC(C)n1ncc2cc(C[N@@H+]3CCC[C@@H]3C[C@H](O)c3ccco3)c(Cl)nc21 ZINC000180601632 822709355 /nfs/dbraw/zinc/70/93/55/822709355.db2.gz QASXDZRWBBHHBF-SJORKVTESA-N 1 0 388.899 4.347 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1)C(=O)NC1CCCC1 ZINC000180603278 822709785 /nfs/dbraw/zinc/70/97/85/822709785.db2.gz LSPKLEHXPDWYQL-HOTGVXAUSA-N 1 0 397.494 4.176 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)N[C@@H](c1ccco1)c1ccccc1)c1cccc(F)c1 ZINC000049798453 822710229 /nfs/dbraw/zinc/71/02/29/822710229.db2.gz CUTVFDSLPLUJIL-TZIWHRDSSA-N 1 0 381.451 4.110 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)N[C@H](c1ccco1)c1ccccc1)c1cccc(F)c1 ZINC000049798451 822710328 /nfs/dbraw/zinc/71/03/28/822710328.db2.gz CUTVFDSLPLUJIL-CTNGQTDRSA-N 1 0 381.451 4.110 20 0 GIADRO Cc1c(Cl)cncc1NC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000455713223 822710559 /nfs/dbraw/zinc/71/05/59/822710559.db2.gz LXXHJBMQUAUXQM-UHFFFAOYSA-N 1 0 386.927 4.419 20 0 GIADRO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000180609492 822711596 /nfs/dbraw/zinc/71/15/96/822711596.db2.gz IHLILWKUAXXDBD-FDDCHVKYSA-N 1 0 377.536 4.136 20 0 GIADRO Cc1cc(C)c(NC(=O)CN2CC[NH+](CC3CCCCC3)CC2)c(Cl)c1 ZINC000049981909 822713171 /nfs/dbraw/zinc/71/31/71/822713171.db2.gz PCZFQIHIOMXQMW-UHFFFAOYSA-N 1 0 377.960 4.093 20 0 GIADRO CC[C@@H](c1ccncc1)N(CC)C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1 ZINC000184921003 822713242 /nfs/dbraw/zinc/71/32/42/822713242.db2.gz BNXPZKFMYGIQLY-QFIPXVFZSA-N 1 0 395.551 4.229 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)c1ccc(C(C)(C)C)cc1 ZINC000184922455 822713516 /nfs/dbraw/zinc/71/35/16/822713516.db2.gz YOHVHMCOYNATAV-KRWDZBQOSA-N 1 0 386.561 4.375 20 0 GIADRO Cc1c(Br)cccc1C[N@H+]1CCC[C@@H](c2nncn2C(C)C)C1 ZINC000180618681 822713627 /nfs/dbraw/zinc/71/36/27/822713627.db2.gz QGUSTENFFNYOMI-MRXNPFEDSA-N 1 0 377.330 4.310 20 0 GIADRO O=C(Nc1ccccc1OCCF)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000455721779 822713668 /nfs/dbraw/zinc/71/36/68/822713668.db2.gz YYPKPTLAHFTXHE-SFHVURJKSA-N 1 0 377.504 4.155 20 0 GIADRO CC(C)CC(=O)Nc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000050028386 822715067 /nfs/dbraw/zinc/71/50/67/822715067.db2.gz ANNJDXNLLCEDCX-NRFANRHFSA-N 1 0 379.504 4.274 20 0 GIADRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)Nc1cccc(OC(F)F)c1 ZINC000050055698 822716307 /nfs/dbraw/zinc/71/63/07/822716307.db2.gz OXSDOCMCSOMATJ-AWEZNQCLSA-N 1 0 395.475 4.383 20 0 GIADRO CSc1cccc(C)c1NC(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000184952648 822717708 /nfs/dbraw/zinc/71/77/08/822717708.db2.gz GABLJFFDFXMCTC-UHFFFAOYSA-N 1 0 398.576 4.283 20 0 GIADRO Cc1cc2ccccc2c(NC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1 ZINC000455741885 822718015 /nfs/dbraw/zinc/71/80/15/822718015.db2.gz MNRWZUUSSWMCCD-FCHUYYIVSA-N 1 0 381.520 4.038 20 0 GIADRO CCCn1ncc(NC(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)c1C1CC1 ZINC000455743352 822718108 /nfs/dbraw/zinc/71/81/08/822718108.db2.gz ABCBZXINYZHSKV-KRWDZBQOSA-N 1 0 383.540 4.203 20 0 GIADRO COC(=O)CCC[NH2+][C@@H](C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000184956514 822718228 /nfs/dbraw/zinc/71/82/28/822718228.db2.gz JYARIVQYRIPGGU-NSHDSACASA-N 1 0 383.311 4.176 20 0 GIADRO COc1ccc(CCCN(C)C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000050095144 822718308 /nfs/dbraw/zinc/71/83/08/822718308.db2.gz IUFIQNROCDOXHF-UHFFFAOYSA-N 1 0 395.547 4.065 20 0 GIADRO Cc1ccc(F)c(Br)c1NC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000455743930 822718297 /nfs/dbraw/zinc/71/82/97/822718297.db2.gz DLHGQCBVDVTWRR-UHFFFAOYSA-N 1 0 394.288 4.280 20 0 GIADRO CC(C)OC[C@@H](O)C[NH2+][C@H](C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000184957360 822718380 /nfs/dbraw/zinc/71/83/80/822718380.db2.gz GPPBYKKUGWIQKH-DOMZBBRYSA-N 1 0 399.354 4.009 20 0 GIADRO Cc1nc(C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)c(-c2ccccc2)o1 ZINC000184967141 822719524 /nfs/dbraw/zinc/71/95/24/822719524.db2.gz HLLOPHYGTXPBFA-SFHVURJKSA-N 1 0 389.499 4.387 20 0 GIADRO C[C@@H](NC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(F)cc1F ZINC000050137265 822720013 /nfs/dbraw/zinc/72/00/13/822720013.db2.gz GQXAIDHNTRBCOR-HUUCEWRRSA-N 1 0 393.503 4.299 20 0 GIADRO CCSCc1cc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)no1 ZINC000184976130 822720583 /nfs/dbraw/zinc/72/05/83/822720583.db2.gz BSBJKSGDALKYOQ-NQIIRXRSSA-N 1 0 399.560 4.054 20 0 GIADRO O=c1cc(C[NH2+][C@@H](Cc2ccccc2)c2cccs2)nc2ccc(Cl)cn12 ZINC000184982400 822721685 /nfs/dbraw/zinc/72/16/85/822721685.db2.gz BJSMFJINTJOFNU-SFHVURJKSA-N 1 0 395.915 4.483 20 0 GIADRO COCC[N@H+](C)CCCC1CCN(C(=O)Nc2ccccc2C(C)(F)F)CC1 ZINC000455764834 822722077 /nfs/dbraw/zinc/72/20/77/822722077.db2.gz DEIPXKPPQOMKIM-UHFFFAOYSA-N 1 0 397.510 4.401 20 0 GIADRO C[C@H]([NH2+]C[C@H]1CCN(c2ccccc2)C1)c1cc(Br)ccc1O ZINC000184998053 822723606 /nfs/dbraw/zinc/72/36/06/822723606.db2.gz RNLYCQOTXCFKTF-LSDHHAIUSA-N 1 0 375.310 4.332 20 0 GIADRO C[C@@H]([NH2+]CC1(C(N)=O)CCOCC1)c1ccc(-c2ccc(Cl)cc2F)s1 ZINC000185002945 822724123 /nfs/dbraw/zinc/72/41/23/822724123.db2.gz HKBNKXJTJLWOHP-GFCCVEGCSA-N 1 0 396.915 4.140 20 0 GIADRO C[C@H]([NH2+]C1CCC(O)(c2cccnc2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000185006566 822724467 /nfs/dbraw/zinc/72/44/67/822724467.db2.gz YHJNZGYBWLJJGB-STJZUHDESA-N 1 0 380.410 4.461 20 0 GIADRO COCCOc1ccc(C[NH2+][C@@H](C)c2cc(Br)ccc2O)cc1 ZINC000185011965 822725154 /nfs/dbraw/zinc/72/51/54/822725154.db2.gz MATPNWOJKCJERB-ZDUSSCGKSA-N 1 0 380.282 4.031 20 0 GIADRO CC[C@@H](NC(=O)NCC1(C[NH+](C)C)CCCC1)c1nc(C(F)(F)F)cs1 ZINC000185018634 822725840 /nfs/dbraw/zinc/72/58/40/822725840.db2.gz SFUVJEAGLDUDOB-GFCCVEGCSA-N 1 0 392.491 4.034 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(N2CCCC2=O)c1)c1cc(Br)ccc1O ZINC000185019222 822725996 /nfs/dbraw/zinc/72/59/96/822725996.db2.gz DWYTUCDNJIHHDI-ZDUSSCGKSA-N 1 0 389.293 4.132 20 0 GIADRO C[NH+](C)CCOc1ccccc1CNC(=O)Nc1ccccc1C(C)(F)F ZINC000455784494 822726186 /nfs/dbraw/zinc/72/61/86/822726186.db2.gz CRNWEOJLKZBBMK-UHFFFAOYSA-N 1 0 377.435 4.060 20 0 GIADRO CCc1nc(C)c(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)s1 ZINC000050357213 822727258 /nfs/dbraw/zinc/72/72/58/822727258.db2.gz MDIYTYBXKIIDLH-UHFFFAOYSA-N 1 0 375.563 4.123 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H](C)c2cn(C)c3ccccc23)CC1 ZINC000185035772 822727645 /nfs/dbraw/zinc/72/76/45/822727645.db2.gz QDNRAVRABAFNNO-IBGZPJMESA-N 1 0 389.543 4.371 20 0 GIADRO C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000185059244 822730682 /nfs/dbraw/zinc/73/06/82/822730682.db2.gz BNQJOFSJXXGHLF-OAHLLOKOSA-N 1 0 376.928 4.072 20 0 GIADRO CCCn1ncc(NC(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)c1C1CC1 ZINC000455823470 822732380 /nfs/dbraw/zinc/73/23/80/822732380.db2.gz GEBYJJXATVEZBV-OAQYLSRUSA-N 1 0 395.551 4.438 20 0 GIADRO Cc1nc(C(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c(-c2ccccc2)o1 ZINC000185069889 822732384 /nfs/dbraw/zinc/73/23/84/822732384.db2.gz QKSAEAMTVFHVEH-NRFANRHFSA-N 1 0 389.499 4.387 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)c1ccccc1OCC(=O)N(C)C ZINC000185075350 822733547 /nfs/dbraw/zinc/73/35/47/822733547.db2.gz TWOIRPOQBVOJLM-KSSFIOAISA-N 1 0 390.911 4.315 20 0 GIADRO CCC(CC)C(=O)N1CCC([NH2+][C@H](C)c2cc(Br)ccc2O)CC1 ZINC000185077291 822733756 /nfs/dbraw/zinc/73/37/56/822733756.db2.gz YZIIQFQVYLPPIU-CYBMUJFWSA-N 1 0 397.357 4.233 20 0 GIADRO O=C(CCCOCc1ccccc1)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000050631741 822735323 /nfs/dbraw/zinc/73/53/23/822735323.db2.gz CFUWOUREOWCUNQ-HXUWFJFHSA-N 1 0 386.561 4.073 20 0 GIADRO CCOc1ccc([C@@H](COC)NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)cc1 ZINC000455853851 822737452 /nfs/dbraw/zinc/73/74/52/822737452.db2.gz MNHFEEUYYZDPGH-FGZHOGPDSA-N 1 0 397.519 4.143 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CC[C@]4(C3)CCc3ccccc3O4)ccc21 ZINC000455853993 822737473 /nfs/dbraw/zinc/73/74/73/822737473.db2.gz MUGVYYGFHAQURG-URXFXBBRSA-N 1 0 391.515 4.237 20 0 GIADRO CC(C)c1nc(C2CCN(C(=O)Nc3ccc4c(c3)CC[C@H]4[NH+](C)C)CC2)no1 ZINC000455859848 822738543 /nfs/dbraw/zinc/73/85/43/822738543.db2.gz QEQKWSJIHAPJMN-LJQANCHMSA-N 1 0 397.523 4.153 20 0 GIADRO C[C@@](O)(C[NH2+]Cc1c[nH]nc1-c1c(F)cccc1F)c1cccc(Cl)c1 ZINC000185118081 822739327 /nfs/dbraw/zinc/73/93/27/822739327.db2.gz NTLJPKTYCVXBJL-LJQANCHMSA-N 1 0 377.822 4.006 20 0 GIADRO C[C@H](c1ccsc1)N1CCN(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC1 ZINC000455867953 822739750 /nfs/dbraw/zinc/73/97/50/822739750.db2.gz VSBADEKUKJHQSN-IERDGZPVSA-N 1 0 398.576 4.208 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N[C@@H]3CCCN(c4ccccc4)C3)ccc21 ZINC000455876092 822741046 /nfs/dbraw/zinc/74/10/46/822741046.db2.gz BBTVTQGDABXGJE-DENIHFKCSA-N 1 0 378.520 4.026 20 0 GIADRO O=C(Nc1ccc2c(n1)CCC2)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000455881147 822741719 /nfs/dbraw/zinc/74/17/19/822741719.db2.gz AKURXLXVYABCHL-UHFFFAOYSA-N 1 0 390.531 4.090 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc3c(n2)CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000455884130 822742276 /nfs/dbraw/zinc/74/22/76/822742276.db2.gz MLMUHTTUDVPWBX-PXNSSMCTSA-N 1 0 378.520 4.087 20 0 GIADRO COc1ccc2c(C[N@@H+](Cc3cccc(F)c3)C[C@@H]3CCCO3)cc(=O)oc2c1 ZINC000050963885 822743469 /nfs/dbraw/zinc/74/34/69/822743469.db2.gz AIVLAMDXPLJLOS-FQEVSTJZSA-N 1 0 397.446 4.122 20 0 GIADRO C[N@H+](CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1)C(C1CC1)C1CC1 ZINC000050989466 822743721 /nfs/dbraw/zinc/74/37/21/822743721.db2.gz YTWMAJLGGDJGSH-QGZVFWFLSA-N 1 0 383.517 4.139 20 0 GIADRO CCSCc1ccc(NC(=O)N2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)cc1 ZINC000455896568 822744263 /nfs/dbraw/zinc/74/42/63/822744263.db2.gz OBEUPOYEPOEVBI-HXUWFJFHSA-N 1 0 398.576 4.321 20 0 GIADRO C[C@H]1C[NH+](CCCCNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C[C@H](C)O1 ZINC000455907448 822746576 /nfs/dbraw/zinc/74/65/76/822746576.db2.gz SMLHEMBVQKCGJY-NXNVCVFFSA-N 1 0 399.362 4.103 20 0 GIADRO Cc1nc(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)c(-c2ccccc2)o1 ZINC000185187436 822747027 /nfs/dbraw/zinc/74/70/27/822747027.db2.gz KHJIBWVLBDITGO-UHFFFAOYSA-N 1 0 381.520 4.378 20 0 GIADRO CCc1ccc(CNC(=O)C[N@H+](C)C[C@H]2CCCO[C@@H]2c2ccccc2)s1 ZINC000051132132 822747031 /nfs/dbraw/zinc/74/70/31/822747031.db2.gz FHJJADNMKDLUDR-XMSQKQJNSA-N 1 0 386.561 4.026 20 0 GIADRO CCN(Cc1ccccc1)C(=O)C[N@H+](C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132962 822747284 /nfs/dbraw/zinc/74/72/84/822747284.db2.gz MQZPEAANXOZYQT-ISKFKSNPSA-N 1 0 380.532 4.135 20 0 GIADRO C[N@@H+](CC(=O)N1CCCc2ccccc21)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133375 822747608 /nfs/dbraw/zinc/74/76/08/822747608.db2.gz BMVVKWDKVZKVND-XUZZJYLKSA-N 1 0 378.516 4.066 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CC[C@H](COCc4ccccc4)C3)ccc21 ZINC000455919658 822749441 /nfs/dbraw/zinc/74/94/41/822749441.db2.gz LLRPBZIAJIAPSM-CVDCTZTESA-N 1 0 393.531 4.306 20 0 GIADRO C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000185216675 822750321 /nfs/dbraw/zinc/75/03/21/822750321.db2.gz PSDBDCNEDKURGE-INIZCTEOSA-N 1 0 378.944 4.129 20 0 GIADRO Cc1nc(NC(=O)N2CC[C@H](C[NH+](C)C)C2)sc1Cc1cccc(Cl)c1 ZINC000455925075 822750342 /nfs/dbraw/zinc/75/03/42/822750342.db2.gz KDGXCKYBBKZJHE-OAHLLOKOSA-N 1 0 392.956 4.111 20 0 GIADRO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[NH+]1CCN(c2ccccn2)CC1 ZINC000051214207 822750702 /nfs/dbraw/zinc/75/07/02/822750702.db2.gz IYBCWTRWIYJHBR-LJQANCHMSA-N 1 0 386.499 4.217 20 0 GIADRO CCOCc1ccccc1CNC(=O)C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000051213531 822750750 /nfs/dbraw/zinc/75/07/50/822750750.db2.gz TUBHKJWBHIIZOT-UHFFFAOYSA-N 1 0 388.511 4.219 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CCC[C@H]3c3nc4ccccc4[nH]3)ccc21 ZINC000455928058 822751144 /nfs/dbraw/zinc/75/11/44/822751144.db2.gz NTHYMPHISLYKPB-SFTDATJTSA-N 1 0 389.503 4.481 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCC[C@H](Nc4ccccc4)C3)ccc21 ZINC000455929984 822751550 /nfs/dbraw/zinc/75/15/50/822751550.db2.gz OOYAQNSAAOVBPY-RBBKRZOGSA-N 1 0 378.520 4.344 20 0 GIADRO COc1ccc([C@H]2CCN(C(=O)Nc3ccc4c(c3)CC[C@H]4[NH+](C)C)C2)cc1 ZINC000455933986 822752458 /nfs/dbraw/zinc/75/24/58/822752458.db2.gz QWWXHQSTLFGRJL-PGRDOPGGSA-N 1 0 379.504 4.266 20 0 GIADRO CC[C@H]1C[C@H](C)CN1C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000455934736 822752655 /nfs/dbraw/zinc/75/26/55/822752655.db2.gz ABNZODXXNAGGDX-HOCLYGCPSA-N 1 0 379.932 4.465 20 0 GIADRO COc1cc(CNC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)c2ccccc2n1 ZINC000455935329 822752799 /nfs/dbraw/zinc/75/27/99/822752799.db2.gz RMNXMOZCVPRCSE-OAQYLSRUSA-N 1 0 390.487 4.114 20 0 GIADRO C[C@@H]1CCCN(C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)CC1 ZINC000455943026 822754567 /nfs/dbraw/zinc/75/45/67/822754567.db2.gz LITOKPITSZDXCN-OAHLLOKOSA-N 1 0 379.932 4.467 20 0 GIADRO CN(C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1)C(C1CC1)C1CC1 ZINC000455944071 822754919 /nfs/dbraw/zinc/75/49/19/822754919.db2.gz MEIRQGLAVVPXAT-UHFFFAOYSA-N 1 0 391.943 4.465 20 0 GIADRO CC(C)c1nc(C2(NC(=O)Nc3ccc4c(c3)CC[C@H]4[NH+](C)C)CCCC2)no1 ZINC000455945543 822755425 /nfs/dbraw/zinc/75/54/25/822755425.db2.gz WHHAHMYJYPDNAX-GOSISDBHSA-N 1 0 397.523 4.333 20 0 GIADRO COc1ccc([C@@H](C)NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)cc1OC ZINC000455946171 822755484 /nfs/dbraw/zinc/75/54/84/822755484.db2.gz WVFVHAIZOWHTMJ-AUUYWEPGSA-N 1 0 383.492 4.135 20 0 GIADRO CCCN(CC1CC1)C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000455945890 822755532 /nfs/dbraw/zinc/75/55/32/822755532.db2.gz POIMYVBCXMNIEK-UHFFFAOYSA-N 1 0 379.932 4.467 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)NCCc3nc(C(C)(C)C)cs3)ccc21 ZINC000455946689 822755715 /nfs/dbraw/zinc/75/57/15/822755715.db2.gz XAYYLZGJSUCXDJ-KRWDZBQOSA-N 1 0 386.565 4.354 20 0 GIADRO CC[C@H](CSC)N(C)C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000455946274 822755760 /nfs/dbraw/zinc/75/57/60/822755760.db2.gz PPBSNDVYVHXOCN-OAHLLOKOSA-N 1 0 399.988 4.418 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)N2CCSC(C)(C)C2)CC1 ZINC000455946675 822755778 /nfs/dbraw/zinc/75/57/78/822755778.db2.gz QJVORXOIABFUEF-UHFFFAOYSA-N 1 0 397.972 4.172 20 0 GIADRO COc1ccc(C[C@@H](C)CNc2ccccc2C[NH+]2CCC(O)CC2)cc1F ZINC000185259451 822755944 /nfs/dbraw/zinc/75/59/44/822755944.db2.gz JIHGKSHWYCHKQP-QGZVFWFLSA-N 1 0 386.511 4.082 20 0 GIADRO CCOc1cc(C[N@H+](C)C[C@H](O)c2cc(F)ccc2F)ccc1OC(F)F ZINC000051323842 822755998 /nfs/dbraw/zinc/75/59/98/822755998.db2.gz CJQZDCJBXNNSGV-INIZCTEOSA-N 1 0 387.373 4.130 20 0 GIADRO CC(C)[C@@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)c1ccc(Cl)cc1F ZINC000185269212 822757202 /nfs/dbraw/zinc/75/72/02/822757202.db2.gz LSSGERHZTPJMRO-LJQANCHMSA-N 1 0 395.881 4.337 20 0 GIADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000455963632 822757919 /nfs/dbraw/zinc/75/79/19/822757919.db2.gz BFJAMLAUULRTMD-ABAIWWIYSA-N 1 0 386.721 4.193 20 0 GIADRO O=C(Nc1cc(Cl)cc(Br)c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000455963839 822758111 /nfs/dbraw/zinc/75/81/11/822758111.db2.gz CEVIVMCCBXTXIO-LBPRGKRZSA-N 1 0 386.721 4.052 20 0 GIADRO O=C(Nc1cc(Cl)cc(Br)c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000455963838 822758173 /nfs/dbraw/zinc/75/81/73/822758173.db2.gz CEVIVMCCBXTXIO-GFCCVEGCSA-N 1 0 386.721 4.052 20 0 GIADRO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3cc(Cl)cc(Br)c3)CC[C@@H]21 ZINC000455967912 822758698 /nfs/dbraw/zinc/75/86/98/822758698.db2.gz IQZOADGNUWGKHI-NHYWBVRUSA-N 1 0 386.721 4.051 20 0 GIADRO COc1ccc(C2(C[NH2+]Cc3ccc([N+](=O)[O-])c(Cl)c3)CCOCC2)cc1 ZINC000185280459 822758892 /nfs/dbraw/zinc/75/88/92/822758892.db2.gz IVERTTAKNULEDC-UHFFFAOYSA-N 1 0 390.867 4.095 20 0 GIADRO COc1ccc(N2CCC([NH2+]Cc3ccc([N+](=O)[O-])c(Cl)c3)CC2)cc1 ZINC000185284125 822759487 /nfs/dbraw/zinc/75/94/87/822759487.db2.gz HUHYFFDWHGTYJW-UHFFFAOYSA-N 1 0 375.856 4.015 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@@H]2c3ccccc3CCC[C@H]2C)ccc1S(C)(=O)=O ZINC000185286370 822759813 /nfs/dbraw/zinc/75/98/13/822759813.db2.gz DFWMCAWDGWEPCH-VVBPWWLESA-N 1 0 387.545 4.463 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)N(Cc2cccc(F)c2)C[C@H]2CCCO2)o1 ZINC000051470199 822761426 /nfs/dbraw/zinc/76/14/26/822761426.db2.gz GZDNSUWAOCWLAS-LJQANCHMSA-N 1 0 388.483 4.082 20 0 GIADRO C[C@H](c1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(O)c2)cc1)C(F)(F)F ZINC000455987057 822762149 /nfs/dbraw/zinc/76/21/49/822762149.db2.gz KJQADQARTKOUOI-OAHLLOKOSA-N 1 0 394.437 4.262 20 0 GIADRO Cc1ccc(C(=O)NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c(C2CC2)n1 ZINC000455994135 822763252 /nfs/dbraw/zinc/76/32/52/822763252.db2.gz LRZQTXYHZAHEAV-QUCCMNQESA-N 1 0 377.532 4.298 20 0 GIADRO COc1ccc(C[C@H](C)C[NH2+]C2CCN([C@@H](C)c3ccncc3)CC2)cc1F ZINC000185308470 822763402 /nfs/dbraw/zinc/76/34/02/822763402.db2.gz LMTBTMHLJBPMED-ROUUACIJSA-N 1 0 385.527 4.223 20 0 GIADRO COc1ccc(C[C@@H](C)C[NH2+]C2CCN([C@@H](C)c3ccncc3)CC2)cc1F ZINC000185308488 822763463 /nfs/dbraw/zinc/76/34/63/822763463.db2.gz LMTBTMHLJBPMED-MSOLQXFVSA-N 1 0 385.527 4.223 20 0 GIADRO O=C(CC[NH+]1CCC([C@H](O)c2ccccc2)CC1)N[C@H]1CCCc2ccccc21 ZINC000051531652 822764508 /nfs/dbraw/zinc/76/45/08/822764508.db2.gz REIWJOKFTTUPMO-UKILVPOCSA-N 1 0 392.543 4.016 20 0 GIADRO C[C@H]([NH2+][C@H]1CN(Cc2ccccc2)C[C@H]1C)c1ncc(Br)s1 ZINC000185315310 822764644 /nfs/dbraw/zinc/76/46/44/822764644.db2.gz BQBIMONIFAAFAR-IPYPFGDCSA-N 1 0 380.355 4.077 20 0 GIADRO Cc1csc([C@H](NC(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C2CC2)n1 ZINC000174292660 822764724 /nfs/dbraw/zinc/76/47/24/822764724.db2.gz OVWAWJBOZUYOHB-VQTJNVASSA-N 1 0 398.576 4.209 20 0 GIADRO COc1ccc(C[C@H](C)C[NH2+][C@@H](c2nc(-c3cccnc3)no2)C(C)C)cc1F ZINC000185317333 822764874 /nfs/dbraw/zinc/76/48/74/822764874.db2.gz NRRYFTSWDVQVPP-MGPUTAFESA-N 1 0 398.482 4.445 20 0 GIADRO Cc1cnc([C@H](NC(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C2CC2)s1 ZINC000174293319 822764935 /nfs/dbraw/zinc/76/49/35/822764935.db2.gz WKGUJBXGEFOTIP-WOJBJXKFSA-N 1 0 398.576 4.209 20 0 GIADRO Cc1cnc([C@@H]([NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)C2CC2)s1 ZINC000185329837 822766918 /nfs/dbraw/zinc/76/69/18/822766918.db2.gz YKKCSRKLCWDTLG-CJNGLKHVSA-N 1 0 387.332 4.239 20 0 GIADRO Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000174302556 822767448 /nfs/dbraw/zinc/76/74/48/822767448.db2.gz PJIVOBVKUBOCKI-VABKMULXSA-N 1 0 395.547 4.065 20 0 GIADRO O=C1Nc2ccccc2C12CCC([NH2+][C@@H]1CCO[C@@H](c3ccccc3)C1)CC2 ZINC000185335838 822767798 /nfs/dbraw/zinc/76/77/98/822767798.db2.gz FVXTZAPLTYCELR-AWTPMGBWSA-N 1 0 376.500 4.329 20 0 GIADRO C[NH+](C)CCc1ccccc1NC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000456028175 822768347 /nfs/dbraw/zinc/76/83/47/822768347.db2.gz PFVXXJCDZYXAAL-ZWKOTPCHSA-N 1 0 387.321 4.295 20 0 GIADRO CC[NH+](CC)[C@@H]1CCN([C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000174309705 822768832 /nfs/dbraw/zinc/76/88/32/822768832.db2.gz KOBSGEPJDYUFIT-GXTWGEPZSA-N 1 0 391.865 4.102 20 0 GIADRO COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)C2CC[NH+](C(C)C)CC2)cc1 ZINC000174311744 822769365 /nfs/dbraw/zinc/76/93/65/822769365.db2.gz FIWHTDWNHMLSOP-QHCPKHFHSA-N 1 0 398.522 4.355 20 0 GIADRO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(Br)s2)c2ccc(F)cc2C1 ZINC000185363868 822772119 /nfs/dbraw/zinc/77/21/19/822772119.db2.gz IOXNZOLIPDGBEB-MRXNPFEDSA-N 1 0 397.313 4.233 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCC(=O)N1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000456056714 822772227 /nfs/dbraw/zinc/77/22/27/822772227.db2.gz HQDTVELPBGLZHO-ZDUSSCGKSA-N 1 0 389.487 4.132 20 0 GIADRO CCC[C@@H]([NH2+]Cc1cccc(COC)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000174332842 822772819 /nfs/dbraw/zinc/77/28/19/822772819.db2.gz KHCKYAPVUHASPU-HSZRJFAPSA-N 1 0 395.547 4.330 20 0 GIADRO CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000051676447 822773298 /nfs/dbraw/zinc/77/32/98/822773298.db2.gz FPTGWUBOCYLLKP-LEWJYISDSA-N 1 0 387.568 4.060 20 0 GIADRO O=C(O[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ncoc1-c1ccccc1Cl ZINC000174339631 822774423 /nfs/dbraw/zinc/77/44/23/822774423.db2.gz OCKJQFSBBFKWIH-INIZCTEOSA-N 1 0 382.847 4.426 20 0 GIADRO CC(=O)Nc1ccc(C)c(NC(=O)N[C@H](C[N@H+](C)Cc2ccccc2)C(C)C)c1 ZINC000185375426 822774443 /nfs/dbraw/zinc/77/44/43/822774443.db2.gz HJRNMPZOPHDKAK-JOCHJYFZSA-N 1 0 396.535 4.232 20 0 GIADRO CCS[C@H]1CC[C@@H]([N@H+](C)Cc2nnc(-c3ccc(Br)o3)o2)C1 ZINC000174340161 822774618 /nfs/dbraw/zinc/77/46/18/822774618.db2.gz RHVAPBSUFYKAOD-MNOVXSKESA-N 1 0 386.315 4.198 20 0 GIADRO CC(C)[NH+](CCCNC(=O)Nc1ccc(NC(=O)c2ccco2)cc1)C(C)C ZINC000174349555 822776293 /nfs/dbraw/zinc/77/62/93/822776293.db2.gz USPRMSYIHLNPGG-UHFFFAOYSA-N 1 0 386.496 4.162 20 0 GIADRO C[NH+](C)Cc1ccsc1C(=O)N1CC[C@H](c2cccc(Br)c2)C1 ZINC000456132808 822782476 /nfs/dbraw/zinc/78/24/76/822782476.db2.gz AJMQPHSKOKQZAU-AWEZNQCLSA-N 1 0 393.350 4.202 20 0 GIADRO Fc1ccc(C2([NH2+]Cc3ccc(OC[C@@H]4CCCO4)cc3)CCOCC2)cc1 ZINC000174390144 822782565 /nfs/dbraw/zinc/78/25/65/822782565.db2.gz WMQQYSMGYVTXMA-QFIPXVFZSA-N 1 0 385.479 4.179 20 0 GIADRO CC[NH+](CC)CC1CCN(Cc2csc(COc3ccc(F)cc3)n2)CC1 ZINC000051908009 822782721 /nfs/dbraw/zinc/78/27/21/822782721.db2.gz WZPWGTSICGZZAW-UHFFFAOYSA-N 1 0 391.556 4.415 20 0 GIADRO CC(C)Oc1ccc2ccccc2c1CNC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000185439182 822784204 /nfs/dbraw/zinc/78/42/04/822784204.db2.gz RDPBIFJMGCEZFD-GOSISDBHSA-N 1 0 383.536 4.110 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1cc(Br)ccc1O)c1ccc(NC(N)=O)cc1 ZINC000185445552 822785056 /nfs/dbraw/zinc/78/50/56/822785056.db2.gz IPZJWUJGJQYKPL-GHMZBOCLSA-N 1 0 378.270 4.057 20 0 GIADRO CN(Cc1ncc(-c2ccc(F)cc2)o1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174402387 822785032 /nfs/dbraw/zinc/78/50/32/822785032.db2.gz GFEXEDRBRZBWRF-IBGZPJMESA-N 1 0 379.479 4.435 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)CCSc1ccc(Br)cc1 ZINC000456163980 822785563 /nfs/dbraw/zinc/78/55/63/822785563.db2.gz CAJZLINUDLRQTM-UHFFFAOYSA-N 1 0 387.387 4.168 20 0 GIADRO Clc1ccc(OC[C@H]2CCCO2)c(C[NH2+]Cc2ccc(-n3cccn3)cc2)c1 ZINC000174406568 822785974 /nfs/dbraw/zinc/78/59/74/822785974.db2.gz DSHJLCVYWVNRND-OAQYLSRUSA-N 1 0 397.906 4.373 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)Cc1csc(Cc2cccc(Cl)c2)n1 ZINC000456170702 822786074 /nfs/dbraw/zinc/78/60/74/822786074.db2.gz NUJBYYUWOOJNIF-UHFFFAOYSA-N 1 0 393.984 4.166 20 0 GIADRO CCCCOc1ccc(-c2nnc(CN3CCC([NH+]4CCCCC4)CC3)o2)cc1 ZINC000052005648 822786383 /nfs/dbraw/zinc/78/63/83/822786383.db2.gz UWENTXNOZXZXTK-UHFFFAOYSA-N 1 0 398.551 4.366 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cc(C)ccc1OC ZINC000174408852 822786426 /nfs/dbraw/zinc/78/64/26/822786426.db2.gz HCOKPOZWJJXDBV-FQEVSTJZSA-N 1 0 381.520 4.380 20 0 GIADRO C[C@@H](O)c1ccc(C[NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)cc1 ZINC000174409384 822786449 /nfs/dbraw/zinc/78/64/49/822786449.db2.gz LSXZEUIFBNTIAC-FOIQADDNSA-N 1 0 375.896 4.241 20 0 GIADRO Cn1c(Cc2cccs2)nc2cc(C(=O)NC(C)(C)CCC[NH+](C)C)ccc21 ZINC000456177270 822786454 /nfs/dbraw/zinc/78/64/54/822786454.db2.gz YATOCKRXBFBAGL-UHFFFAOYSA-N 1 0 398.576 4.076 20 0 GIADRO CCOc1ccccc1[C@H](CC(C)C)NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000174413909 822786812 /nfs/dbraw/zinc/78/68/12/822786812.db2.gz ZJYRIQHQAOBKDY-CTNGQTDRSA-N 1 0 387.568 4.300 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)c1cc(Cl)c(F)cc1Br ZINC000456191430 822787338 /nfs/dbraw/zinc/78/73/38/822787338.db2.gz MCYCANJMMYDGSS-UHFFFAOYSA-N 1 0 379.701 4.092 20 0 GIADRO Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)NC(C)(C)CCC[NH+](C)C ZINC000456196052 822787583 /nfs/dbraw/zinc/78/75/83/822787583.db2.gz HQQDVZRXYGLJLS-UHFFFAOYSA-N 1 0 387.471 4.474 20 0 GIADRO O[C@@H](C[NH2+]Cc1ccc(Oc2cnccn2)cc1)c1cccc(C(F)(F)F)c1 ZINC000174422377 822787768 /nfs/dbraw/zinc/78/77/68/822787768.db2.gz FYWCXLRTUICFQS-SFHVURJKSA-N 1 0 389.377 4.111 20 0 GIADRO CC(C)Oc1ccc([C@@H](O)C[NH2+][C@H](C)c2cc(Br)ccc2O)cc1 ZINC000185470045 822787856 /nfs/dbraw/zinc/78/78/56/822787856.db2.gz DPMURYLMQISPBR-YJYMSZOUSA-N 1 0 394.309 4.326 20 0 GIADRO CCSc1cccc(C[NH2+][C@@H](C)c2ccc(OCC(=O)NC3CC3)cc2)c1 ZINC000185471257 822787950 /nfs/dbraw/zinc/78/79/50/822787950.db2.gz BPTCYSDPZXULBX-INIZCTEOSA-N 1 0 384.545 4.307 20 0 GIADRO CC(C)(C)OC(=O)CC[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000174432963 822789505 /nfs/dbraw/zinc/78/95/05/822789505.db2.gz SIXQJEBHWSBGAR-UHFFFAOYSA-N 1 0 388.895 4.414 20 0 GIADRO Cc1nc(-c2cccnc2)nc(N2CC[NH+]([C@H](C)c3ccsc3)CC2)c1C ZINC000185487224 822789814 /nfs/dbraw/zinc/78/98/14/822789814.db2.gz AAWRZYKFHADTLB-QGZVFWFLSA-N 1 0 379.533 4.100 20 0 GIADRO COCCc1ccc(OCCCC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)cc1 ZINC000456251758 822790211 /nfs/dbraw/zinc/79/02/11/822790211.db2.gz AGUWVXSOARFCPC-QHCPKHFHSA-N 1 0 396.531 4.222 20 0 GIADRO COC(=O)[C@@H](C)Sc1ccccc1C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000456254347 822790533 /nfs/dbraw/zinc/79/05/33/822790533.db2.gz BPXAIAXKZAKHPX-KUHUBIRLSA-N 1 0 398.528 4.141 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)Cc3csc(Cc4ccccc4)n3)ccc21 ZINC000456255550 822790592 /nfs/dbraw/zinc/79/05/92/822790592.db2.gz CFTQUPCBGAIBTH-NRFANRHFSA-N 1 0 391.540 4.464 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)c3ccc(F)cc3Br)ccc21 ZINC000456260362 822791135 /nfs/dbraw/zinc/79/11/35/822791135.db2.gz FMSJMABIAFMDOL-QGZVFWFLSA-N 1 0 377.257 4.389 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)c3ccc4nc(C(F)(F)F)cn4c3)ccc21 ZINC000456267224 822792000 /nfs/dbraw/zinc/79/20/00/822792000.db2.gz INDPFRJSHQTQBY-INIZCTEOSA-N 1 0 388.393 4.154 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)Cc3ccc(F)c(Br)c3)ccc21 ZINC000456272125 822792321 /nfs/dbraw/zinc/79/23/21/822792321.db2.gz LDBYTOTVJLFXRS-SFHVURJKSA-N 1 0 391.284 4.318 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)Cc3cccc(OCC(F)(F)F)c3)ccc21 ZINC000456272967 822792330 /nfs/dbraw/zinc/79/23/30/822792330.db2.gz LUKJJUQDZOHLNO-IBGZPJMESA-N 1 0 392.421 4.358 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)c1cc(Cl)c2c(c1)OCCO2)c1ccc2ccccc2c1O ZINC000185518083 822792851 /nfs/dbraw/zinc/79/28/51/822792851.db2.gz PCYAQKQMWVPWNE-ORAYPTAESA-N 1 0 399.874 4.354 20 0 GIADRO CC(=O)CCc1ccc(O[C@@H](C)C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)cc1 ZINC000456276755 822792991 /nfs/dbraw/zinc/79/29/91/822792991.db2.gz OBCBCENTUOYLAI-SBUREZEXSA-N 1 0 394.515 4.163 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)c3cc(F)ccc3Br)ccc21 ZINC000456284088 822794087 /nfs/dbraw/zinc/79/40/87/822794087.db2.gz SUPIXDZSLWCONK-KRWDZBQOSA-N 1 0 377.257 4.389 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCc1ccc(Cl)cc1 ZINC000174469020 822794443 /nfs/dbraw/zinc/79/44/43/822794443.db2.gz PAYNIWKUFSGUQT-HXUWFJFHSA-N 1 0 385.939 4.046 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)COc3ccc(Cl)c4cccnc34)ccc21 ZINC000456289680 822794710 /nfs/dbraw/zinc/79/47/10/822794710.db2.gz XSLDEUZYLICEEL-LJQANCHMSA-N 1 0 395.890 4.455 20 0 GIADRO Cc1cc(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)c(C)n1Cc1ccccn1 ZINC000456290462 822794835 /nfs/dbraw/zinc/79/48/35/822794835.db2.gz YGTWVXXTYMKCCR-HSZRJFAPSA-N 1 0 388.515 4.349 20 0 GIADRO CCOc1cccc2[nH]cc(CC(=O)Nc3ccc4c(c3)CC[C@H]4[NH+](C)C)c21 ZINC000456292912 822795073 /nfs/dbraw/zinc/79/50/73/822795073.db2.gz BSJPXHLEUFURLE-HXUWFJFHSA-N 1 0 377.488 4.297 20 0 GIADRO COC(=O)c1ccc(-c2nc(C[NH2+][C@@H](C)[C@H]3COc4ccccc43)cs2)cc1 ZINC000185552694 822795891 /nfs/dbraw/zinc/79/58/91/822795891.db2.gz QHMIAHFJBMMCSW-IFXJQAMLSA-N 1 0 394.496 4.251 20 0 GIADRO COc1cccc(-c2nc(C[NH2+][C@H](C)[C@H]3COc4ccccc43)cs2)c1OC ZINC000185560941 822796701 /nfs/dbraw/zinc/79/67/01/822796701.db2.gz JPJVXZLZCCWBAS-RDTXWAMCSA-N 1 0 396.512 4.482 20 0 GIADRO COc1cccc(-c2nc(C[NH2+][C@H](C)[C@@H]3COc4ccccc43)cs2)c1OC ZINC000185560906 822796737 /nfs/dbraw/zinc/79/67/37/822796737.db2.gz JPJVXZLZCCWBAS-KDOFPFPSSA-N 1 0 396.512 4.482 20 0 GIADRO CC(C)OCc1ccc(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)cc1 ZINC000456311257 822797146 /nfs/dbraw/zinc/79/71/46/822797146.db2.gz SAJZMWGRYCHGCB-HXUWFJFHSA-N 1 0 380.532 4.206 20 0 GIADRO CC[C@H](NC(=O)N[C@H](C)C[NH+]1CCCCCC1)c1nc(C(F)(F)F)cs1 ZINC000185573452 822798013 /nfs/dbraw/zinc/79/80/13/822798013.db2.gz HMDZZAXMMOLMHM-OLZOCXBDSA-N 1 0 392.491 4.177 20 0 GIADRO C[NH+](C)CCOc1ccc(CNc2nc(-c3ccncc3)nc3ccccc32)cc1 ZINC000052408072 822798329 /nfs/dbraw/zinc/79/83/29/822798329.db2.gz GGSQJHHAGPFLDB-UHFFFAOYSA-N 1 0 399.498 4.244 20 0 GIADRO Cc1cc(N2CCC(C(=O)NCc3ccc(F)cc3)CC2)c2ccccc2[nH+]1 ZINC000052427937 822799005 /nfs/dbraw/zinc/79/90/05/822799005.db2.gz AOCQLFSKUWWVTN-UHFFFAOYSA-N 1 0 377.463 4.215 20 0 GIADRO C[C@H]1CN(C(=O)C2CCC(C(F)(F)F)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000456331629 822799259 /nfs/dbraw/zinc/79/92/59/822799259.db2.gz KIFQVXFYHIAGRS-IPJUCJBFSA-N 1 0 382.470 4.336 20 0 GIADRO CCSc1cccc(CNc2ccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)cc2)c1 ZINC000185594341 822800381 /nfs/dbraw/zinc/80/03/81/822800381.db2.gz PDFRQIYZKBWWSY-IBGZPJMESA-N 1 0 383.561 4.108 20 0 GIADRO COc1ccc(-c2ocnc2C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)cc1 ZINC000456344130 822800557 /nfs/dbraw/zinc/80/05/57/822800557.db2.gz ZXVGOXHSJZSXIS-IBGZPJMESA-N 1 0 377.444 4.151 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000174524554 822800760 /nfs/dbraw/zinc/80/07/60/822800760.db2.gz KXTGMAVKLMWVOJ-LLVKDONJSA-N 1 0 382.348 4.138 20 0 GIADRO Cc1nc(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)c(-c2ccccc2)o1 ZINC000456351296 822801211 /nfs/dbraw/zinc/80/12/11/822801211.db2.gz WPQGLKMMNIDMIU-GOSISDBHSA-N 1 0 389.499 4.244 20 0 GIADRO C[C@H](O)CC(C)(C)CNC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000174526893 822801392 /nfs/dbraw/zinc/80/13/92/822801392.db2.gz PZYNAQUHBQVZMZ-KRWDZBQOSA-N 1 0 375.557 4.370 20 0 GIADRO CCn1ccnc1[C@H](C)NC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000456353430 822801529 /nfs/dbraw/zinc/80/15/29/822801529.db2.gz MIEZCKMZLRPCCD-SFHVURJKSA-N 1 0 376.504 4.026 20 0 GIADRO C[C@](O)(C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccs1)c1ccco1 ZINC000174531910 822802090 /nfs/dbraw/zinc/80/20/90/822802090.db2.gz VGLJBFYFDWNCAB-QFIPXVFZSA-N 1 0 393.512 4.250 20 0 GIADRO O=C(C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000052515729 822802240 /nfs/dbraw/zinc/80/22/40/822802240.db2.gz XDRDAYPXHSJLKK-GAJHUEQPSA-N 1 0 397.950 4.023 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(Cl)c(OCCC(C)C)c(OC)c2)C1 ZINC000174536575 822802621 /nfs/dbraw/zinc/80/26/21/822802621.db2.gz DRONXOZJSARRQP-MRXNPFEDSA-N 1 0 396.959 4.187 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccccc1C ZINC000185619642 822802938 /nfs/dbraw/zinc/80/29/38/822802938.db2.gz CJEJZAILYZQKBF-JSGCOSHPSA-N 1 0 382.430 4.048 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]CCOc1ccc(Cl)cc1 ZINC000185620209 822803112 /nfs/dbraw/zinc/80/31/12/822803112.db2.gz XVAQYGHTCRAJGF-LLVKDONJSA-N 1 0 375.822 4.445 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccccc1C ZINC000185619676 822803177 /nfs/dbraw/zinc/80/31/77/822803177.db2.gz CJEJZAILYZQKBF-OCCSQVGLSA-N 1 0 382.430 4.048 20 0 GIADRO COc1cc(-c2nc(C[NH2+][C@@H](C)[C@@H]3COc4ccccc43)cs2)ccc1O ZINC000185622824 822803405 /nfs/dbraw/zinc/80/34/05/822803405.db2.gz XGOWCBZABWILQO-GUYCJALGSA-N 1 0 382.485 4.179 20 0 GIADRO Cc1ccc(-c2nnc([C@H](C)[N@@H+]3CCC[C@H](c4nncn4C(C)C)C3)o2)cc1 ZINC000174547118 822803493 /nfs/dbraw/zinc/80/34/93/822803493.db2.gz MFPVIKLWRROALR-WMZOPIPTSA-N 1 0 380.496 4.158 20 0 GIADRO CCCOc1ccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1OCCC ZINC000174548550 822803624 /nfs/dbraw/zinc/80/36/24/822803624.db2.gz HBEJBOMAFRKESV-YQQQUEKLSA-N 1 0 389.540 4.401 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]CC(=O)Nc1cccc(Cl)c1 ZINC000185637533 822805261 /nfs/dbraw/zinc/80/52/61/822805261.db2.gz ZJCHAKJLEJXBTK-JTQLQIEISA-N 1 0 388.821 4.005 20 0 GIADRO O=C(Nc1cccc(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c1)C1CCCCC1 ZINC000174562926 822805342 /nfs/dbraw/zinc/80/53/42/822805342.db2.gz ZCYGVIWVAQASDL-IBGZPJMESA-N 1 0 397.563 4.153 20 0 GIADRO CCOc1cc(C[NH+]2CCC(O)(c3ccccc3)CC2)ccc1OC(F)F ZINC000185639303 822805414 /nfs/dbraw/zinc/80/54/14/822805414.db2.gz SWBIXFPHVSHSIS-UHFFFAOYSA-N 1 0 377.431 4.170 20 0 GIADRO COc1cc(C[NH2+]CC2(SC)CCOCC2)ccc1OCc1ccccc1 ZINC000174564164 822805515 /nfs/dbraw/zinc/80/55/15/822805515.db2.gz XPVGNCIPCPYHOE-UHFFFAOYSA-N 1 0 387.545 4.276 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]CCC(=O)Nc1ccccc1C ZINC000185639506 822805580 /nfs/dbraw/zinc/80/55/80/822805580.db2.gz YKUDVRZUBZKERE-CYBMUJFWSA-N 1 0 382.430 4.050 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1cc(C)ccc1C ZINC000185641773 822805901 /nfs/dbraw/zinc/80/59/01/822805901.db2.gz KLPJPXHZSLOPDR-UKRRQHHQSA-N 1 0 396.457 4.357 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)Nc2cc(Cl)ccc2N2CCCCC2)CC[N@@H+]1C ZINC000174568413 822806133 /nfs/dbraw/zinc/80/61/33/822806133.db2.gz CRLCJCBVUNWDMI-NVXWUHKLSA-N 1 0 378.948 4.277 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2c(F)cccc2F)cc1OCC ZINC000052659690 822806543 /nfs/dbraw/zinc/80/65/43/822806543.db2.gz JLRVEXPPOWYMSW-KBPBESRZSA-N 1 0 392.446 4.440 20 0 GIADRO C[N@@H+]1CCN(C(=O)c2ccc(C3SCCS3)cc2)C2(CCCCC2)C1 ZINC000174572064 822806643 /nfs/dbraw/zinc/80/66/43/822806643.db2.gz JDZVMMIUFIVJLD-UHFFFAOYSA-N 1 0 376.591 4.256 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)C[N@H+](C2CC2)C2CCCCC2)c(C(F)(F)F)c1 ZINC000052664725 822806882 /nfs/dbraw/zinc/80/68/82/822806882.db2.gz FIDUTDBZCWDFRI-UHFFFAOYSA-N 1 0 397.441 4.399 20 0 GIADRO Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2C[NH+](C)C)c(Br)c1 ZINC000052666372 822806930 /nfs/dbraw/zinc/80/69/30/822806930.db2.gz RTCFPPRKOVMFJL-CQSZACIVSA-N 1 0 391.309 4.225 20 0 GIADRO CC[N@H+](CC(=O)N1CCc2[nH]c3ccccc3c2C1)[C@H](C)c1cccc(OC)c1 ZINC000052706223 822807771 /nfs/dbraw/zinc/80/77/71/822807771.db2.gz HATUQRKYUMBLPF-QGZVFWFLSA-N 1 0 391.515 4.144 20 0 GIADRO C[C@@H](NCC(=O)N(Cc1ccco1)c1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185675567 822809001 /nfs/dbraw/zinc/80/90/01/822809001.db2.gz QJBMFTWZAKTGJO-UXHICEINSA-N 1 0 395.547 4.055 20 0 GIADRO COCCOc1cc(C)ccc1C[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000185682119 822809520 /nfs/dbraw/zinc/80/95/20/822809520.db2.gz XSEMDLINDPLNSR-CQSZACIVSA-N 1 0 394.309 4.339 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)N2CCOC[C@H]2c2ccc(F)cc2)cc1)C1CC1 ZINC000456482396 822809774 /nfs/dbraw/zinc/80/97/74/822809774.db2.gz RHWCSFYMOXJGCQ-QFIPXVFZSA-N 1 0 382.479 4.024 20 0 GIADRO CN(C(=O)NCc1ccc(C(F)F)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000185683407 822809783 /nfs/dbraw/zinc/80/97/83/822809783.db2.gz FBOLJQLKFRSAAL-UHFFFAOYSA-N 1 0 387.474 4.430 20 0 GIADRO OC1(c2cccnc2)CCC([NH2+]Cc2cc(Cl)ccc2Br)CC1 ZINC000185689586 822810450 /nfs/dbraw/zinc/81/04/50/822810450.db2.gz ZZPBFWIXKABDOC-UHFFFAOYSA-N 1 0 395.728 4.418 20 0 GIADRO C[N@H+](CCSc1nnc(Cc2ccccc2F)o1)Cc1ccc(F)cc1 ZINC000185691489 822810623 /nfs/dbraw/zinc/81/06/23/822810623.db2.gz RLRMWRONODTXFY-UHFFFAOYSA-N 1 0 375.444 4.163 20 0 GIADRO C[C@@H](NCc1nn(-c2ccccc2)c2c1CCC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185699563 822811320 /nfs/dbraw/zinc/81/13/20/822811320.db2.gz NIWIGURLXJYGET-RTBURBONSA-N 1 0 378.564 4.104 20 0 GIADRO Cc1ccc(CNC(=O)C2CC[NH+](Cc3cccc4cccnc43)CC2)cc1F ZINC000052823966 822812243 /nfs/dbraw/zinc/81/22/43/822812243.db2.gz ZFSFCVKAZSRKRG-UHFFFAOYSA-N 1 0 391.490 4.211 20 0 GIADRO C[C@@H](N[C@@H](C)C(=O)Nc1cc(Cl)ccc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185707014 822812380 /nfs/dbraw/zinc/81/23/80/822812380.db2.gz JKHXHFWGBKRZJN-ILXRZTDVSA-N 1 0 381.923 4.049 20 0 GIADRO COc1cc(OC)cc(N2CC[C@@H](C[NH2+][C@@H](C)c3cc(Cl)ccc3O)C2)c1 ZINC000185708447 822812540 /nfs/dbraw/zinc/81/25/40/822812540.db2.gz CJIKVICOHXNYMH-GJZGRUSLSA-N 1 0 390.911 4.240 20 0 GIADRO C[C@H](NCc1cn2cc(Cl)cc(Cl)c2n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185709112 822812553 /nfs/dbraw/zinc/81/25/53/822812553.db2.gz MVRFSJAEXJSTSS-UONOGXRCSA-N 1 0 381.351 4.384 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)N3CC[C@H](C)C[C@@H]3c3ccco3)c2)CC1 ZINC000185714423 822813360 /nfs/dbraw/zinc/81/33/60/822813360.db2.gz XLOPVXZMBXYVEN-GHTZIAJQSA-N 1 0 396.535 4.427 20 0 GIADRO CCc1cnc(CC[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)s1 ZINC000174624304 822813902 /nfs/dbraw/zinc/81/39/02/822813902.db2.gz NMXKFPFPJUFJLX-UHFFFAOYSA-N 1 0 391.338 4.190 20 0 GIADRO O=c1cc(C[N@H+](CCc2ccccc2)Cc2ccccc2)nc2sccn21 ZINC000052876890 822813931 /nfs/dbraw/zinc/81/39/31/822813931.db2.gz PFZPPGKDTBSTEF-UHFFFAOYSA-N 1 0 375.497 4.001 20 0 GIADRO CCc1cnc(CC[NH2+]Cc2csc(COc3ccc(OC)cc3)n2)s1 ZINC000174624607 822814013 /nfs/dbraw/zinc/81/40/13/822814013.db2.gz VWENVGIPTVYSNK-UHFFFAOYSA-N 1 0 389.546 4.082 20 0 GIADRO C[C@@H](N[C@@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185722632 822814387 /nfs/dbraw/zinc/81/43/87/822814387.db2.gz QXZDEHOIYQIBEP-OWCLPIDISA-N 1 0 397.485 4.275 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)NCC(C)(C)c2cccc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000174631524 822814927 /nfs/dbraw/zinc/81/49/27/822814927.db2.gz KKBHZDXERSEKFB-WMLDXEAASA-N 1 0 385.474 4.107 20 0 GIADRO C[C@@H](NCc1cc(=O)oc2cc3c(cc12)CCC3)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185728435 822815203 /nfs/dbraw/zinc/81/52/03/822815203.db2.gz WGVVLCQBGWVMLZ-APWZRJJASA-N 1 0 380.532 4.024 20 0 GIADRO COc1cc(C[NH2+]Cc2ccc(-c3csc(C)n3)cc2)cc2c1OCCO2 ZINC000052916264 822815746 /nfs/dbraw/zinc/81/57/46/822815746.db2.gz IYSKRKRLJAEZBY-UHFFFAOYSA-N 1 0 382.485 4.188 20 0 GIADRO O=C(NCC1CC1)[C@@H]1CCC[N@@H+](Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000052930009 822815973 /nfs/dbraw/zinc/81/59/73/822815973.db2.gz YRAGQLNWPFSVAS-MRXNPFEDSA-N 1 0 389.952 4.202 20 0 GIADRO C[N@@H+]1CC[C@@H](NC(=O)Cc2nc(-c3ccc(F)cc3)cs2)[C@@H]1c1ccccc1 ZINC000185736827 822816069 /nfs/dbraw/zinc/81/60/69/822816069.db2.gz YGYPDRJTESNZNK-GCJKJVERSA-N 1 0 395.503 4.053 20 0 GIADRO Cc1ccc(Cl)cc1NC(=O)[C@H](C)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185736681 822816156 /nfs/dbraw/zinc/81/61/56/822816156.db2.gz JRBUJSPEGGUIOC-YESZJQIVSA-N 1 0 377.960 4.218 20 0 GIADRO C[C@@H](NCC(=O)Nc1cccc(Cl)c1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185739702 822816601 /nfs/dbraw/zinc/81/66/01/822816601.db2.gz BXIYCHGAOLLKOI-KGLIPLIRSA-N 1 0 384.351 4.175 20 0 GIADRO Fc1cccc(C2([NH2+]Cc3cnn(-c4ccc(Cl)cc4)c3)CCOCC2)c1 ZINC000174645103 822816915 /nfs/dbraw/zinc/81/69/15/822816915.db2.gz AUYNXXFVTIJJSK-UHFFFAOYSA-N 1 0 385.870 4.460 20 0 GIADRO C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000052994128 822818202 /nfs/dbraw/zinc/81/82/02/822818202.db2.gz LCOGQTOLRCGFFS-XMSQKQJNSA-N 1 0 397.563 4.009 20 0 GIADRO COc1ccc(CNc2nnc(SCC[C@H]3CCCC[N@@H+]3C)s2)cc1 ZINC000053007040 822818359 /nfs/dbraw/zinc/81/83/59/822818359.db2.gz XBCHLSBCCRBQPF-OAHLLOKOSA-N 1 0 378.567 4.125 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1cc(C2CC2)n(C(C)(C)C)n1 ZINC000053016699 822818667 /nfs/dbraw/zinc/81/86/67/822818667.db2.gz LZVKFGQEOKLIFM-UHFFFAOYSA-N 1 0 382.552 4.286 20 0 GIADRO C[C@H](NCC(=O)Nc1ccc(SC(F)F)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185765004 822818941 /nfs/dbraw/zinc/81/89/41/822818941.db2.gz JOQZFKDPGNJLRH-GJZGRUSLSA-N 1 0 397.535 4.182 20 0 GIADRO CC[N@H+](Cc1ccc(OC)c(OC)c1)Cc1ccc(OC(F)F)c(OC)c1 ZINC000053097501 822821563 /nfs/dbraw/zinc/82/15/63/822821563.db2.gz XRNUIUOOUZIOAK-UHFFFAOYSA-N 1 0 381.419 4.336 20 0 GIADRO Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000456679586 822822020 /nfs/dbraw/zinc/82/20/20/822822020.db2.gz BSPYIBUGNCIEQQ-UHFFFAOYSA-N 1 0 391.487 4.143 20 0 GIADRO CCN1C(=O)CCc2cc(NC(=O)c3oc4ccccc4c3C[NH+](C)C)ccc21 ZINC000185799690 822822256 /nfs/dbraw/zinc/82/22/56/822822256.db2.gz JIGGGWNUPYEGRY-UHFFFAOYSA-N 1 0 391.471 4.046 20 0 GIADRO CCCCOc1c(Cl)cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OCC ZINC000174681882 822822603 /nfs/dbraw/zinc/82/26/03/822822603.db2.gz VPYSKEUAVVLUKV-SJORKVTESA-N 1 0 394.943 4.226 20 0 GIADRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC000174684088 822822875 /nfs/dbraw/zinc/82/28/75/822822875.db2.gz KTGPHUSJKJENHA-LBPRGKRZSA-N 1 0 377.941 4.291 20 0 GIADRO Cc1c(C(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cnn1C(C)(C)C ZINC000053144421 822823365 /nfs/dbraw/zinc/82/33/65/822823365.db2.gz PKDPGAPIROFJQJ-QGZVFWFLSA-N 1 0 382.552 4.108 20 0 GIADRO CN(C(=O)C1CC1)c1ccccc1C(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000456695922 822823727 /nfs/dbraw/zinc/82/37/27/822823727.db2.gz PKAVIJIONZGZMK-UHFFFAOYSA-N 1 0 399.579 4.032 20 0 GIADRO CC(C)c1ccc(-c2noc(CCC(=O)N(CC[NH+](C)C)C3CCCC3)n2)cc1 ZINC000053152767 822823791 /nfs/dbraw/zinc/82/37/91/822823791.db2.gz UGDBHEHHRSNUPS-UHFFFAOYSA-N 1 0 398.551 4.125 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(Cl)c(Cl)c1 ZINC000185821209 822824327 /nfs/dbraw/zinc/82/43/27/822824327.db2.gz RNMDHHAIGVAGRT-ZDUSSCGKSA-N 1 0 399.343 4.384 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(C(C)(C)C)cc1 ZINC000185822028 822824407 /nfs/dbraw/zinc/82/44/07/822824407.db2.gz IDQHYAQQOQJGGP-QGZVFWFLSA-N 1 0 386.561 4.375 20 0 GIADRO C[C@@H]([NH2+]Cc1cc(=O)n2ccsc2n1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000185829372 822825123 /nfs/dbraw/zinc/82/51/23/822825123.db2.gz HEXZEFHYUFGVEW-VXGBXAGGSA-N 1 0 381.423 4.057 20 0 GIADRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCC[C@H]1CCc1ccccc1 ZINC000053182555 822825214 /nfs/dbraw/zinc/82/52/14/822825214.db2.gz FCCKLHANUASTQB-LEWJYISDSA-N 1 0 396.494 4.321 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)c1ccccc1SCc1cscn1 ZINC000456708165 822825461 /nfs/dbraw/zinc/82/54/61/822825461.db2.gz XCTMBBMYILPHGB-UHFFFAOYSA-N 1 0 387.574 4.182 20 0 GIADRO O=C(NC1CC[NH+](C2CC2)CC1)c1cc(-c2ccccc2)nc2cc(F)ccc21 ZINC000053213440 822826229 /nfs/dbraw/zinc/82/62/29/822826229.db2.gz WPHPKJLBFNRWIO-UHFFFAOYSA-N 1 0 389.474 4.398 20 0 GIADRO CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000456719100 822826660 /nfs/dbraw/zinc/82/66/60/822826660.db2.gz DDXMQWGXHFABCW-MRXNPFEDSA-N 1 0 382.470 4.407 20 0 GIADRO CC(=O)Nc1ccc2c(C[N@H+](Cc3cccc(F)c3)C3CC3)cc(=O)oc2c1 ZINC000053231785 822827083 /nfs/dbraw/zinc/82/70/83/822827083.db2.gz XXIYNJWNHDMUAY-UHFFFAOYSA-N 1 0 380.419 4.055 20 0 GIADRO CCCc1noc2nc(C3CC3)cc(C(=O)N(CC(C)C)C3CC[NH+](C)CC3)c12 ZINC000053232467 822827188 /nfs/dbraw/zinc/82/71/88/822827188.db2.gz TXXKMJHCBUSURR-UHFFFAOYSA-N 1 0 398.551 4.245 20 0 GIADRO CC(C)CN(C(=O)c1cc(-c2cccc(Cl)c2)on1)C1CC[NH+](C)CC1 ZINC000053233276 822827232 /nfs/dbraw/zinc/82/72/32/822827232.db2.gz HRBKDGXCKOCZBR-UHFFFAOYSA-N 1 0 375.900 4.187 20 0 GIADRO CC(C)(C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1cccc(Cl)c1F ZINC000185858294 822827792 /nfs/dbraw/zinc/82/77/92/822827792.db2.gz JREGAMJCTMSJEY-UHFFFAOYSA-N 1 0 389.902 4.185 20 0 GIADRO CCc1ccc(Cl)c(CC)c1NC(=O)CCC[N@H+]1CC=C(COC)CC1 ZINC000185862036 822828040 /nfs/dbraw/zinc/82/80/40/822828040.db2.gz VILXKNDOHJEZMV-UHFFFAOYSA-N 1 0 378.944 4.462 20 0 GIADRO Cc1nc(-c2ccccc2)oc1C(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC000174735893 822830270 /nfs/dbraw/zinc/83/02/70/822830270.db2.gz VWNJLVRTRSXWIQ-UHFFFAOYSA-N 1 0 379.460 4.151 20 0 GIADRO C[NH+](C)CC1(CNC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)CCCC1 ZINC000185894808 822830840 /nfs/dbraw/zinc/83/08/40/822830840.db2.gz XJXIXPWWNMFCRD-UHFFFAOYSA-N 1 0 389.927 4.166 20 0 GIADRO CC[C@H](NC(=O)NC[C@@H](C(C)C)[NH+]1CCCC1)c1nc(C(F)(F)F)cs1 ZINC000174740188 822830989 /nfs/dbraw/zinc/83/09/89/822830989.db2.gz ADXRWEPYMUQNAZ-STQMWFEESA-N 1 0 392.491 4.033 20 0 GIADRO COc1ccc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1Cc1ccccc1 ZINC000174745076 822831483 /nfs/dbraw/zinc/83/14/83/822831483.db2.gz RYFPYEBADJWMJK-DYESRHJHSA-N 1 0 381.520 4.232 20 0 GIADRO COc1ccc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1Cc1ccccc1 ZINC000174745088 822831494 /nfs/dbraw/zinc/83/14/94/822831494.db2.gz RYFPYEBADJWMJK-LAUBAEHRSA-N 1 0 381.520 4.232 20 0 GIADRO Cc1c(Br)scc1C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185903450 822831679 /nfs/dbraw/zinc/83/16/79/822831679.db2.gz QCYJDYATFYAFCV-QWHCGFSZSA-N 1 0 385.371 4.202 20 0 GIADRO COc1ccccc1NC(=O)c1ccc(NC(=O)CC[N@H+](C)CCC(C)C)cc1 ZINC000053365300 822831836 /nfs/dbraw/zinc/83/18/36/822831836.db2.gz AROLSLATVDYNCO-UHFFFAOYSA-N 1 0 397.519 4.254 20 0 GIADRO Cc1cn(-c2ccccc2)nc1C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000185905620 822832113 /nfs/dbraw/zinc/83/21/13/822832113.db2.gz FDHILFQPWRSEEV-LJQANCHMSA-N 1 0 388.515 4.136 20 0 GIADRO Cc1ccc(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc1NC(=O)c1ccco1 ZINC000053404193 822833388 /nfs/dbraw/zinc/83/33/88/822833388.db2.gz JYPFRBOFBCPRBU-INIZCTEOSA-N 1 0 397.519 4.081 20 0 GIADRO CC[C@H]([NH2+]CCOc1cccc(C(=O)OC)c1)c1nc(C(F)(F)F)cs1 ZINC000185939937 822835397 /nfs/dbraw/zinc/83/53/97/822835397.db2.gz IZYHBEYFCRCYMI-ZDUSSCGKSA-N 1 0 388.411 4.068 20 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822838747 /nfs/dbraw/zinc/83/87/47/822838747.db2.gz YBGVTTSDZUAYRM-KSSFIOAISA-N 1 0 377.435 4.145 20 0 GIADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)Nc1cccc(Cl)c1Oc1cccnc1 ZINC000053528256 822839266 /nfs/dbraw/zinc/83/92/66/822839266.db2.gz PVYYHEHLPMFPTB-CQSZACIVSA-N 1 0 390.940 4.298 20 0 GIADRO CN(Cc1ccc(Cl)s1)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000053547632 822840247 /nfs/dbraw/zinc/84/02/47/822840247.db2.gz VSPSYPBLHFCGLJ-QGZVFWFLSA-N 1 0 377.941 4.380 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cc(C(C)(C)C)nn2Cc2ccccc2)CC[N@@H+]1C ZINC000174809159 822840395 /nfs/dbraw/zinc/84/03/95/822840395.db2.gz OIMPVKWFBIMCMJ-MJGOQNOKSA-N 1 0 397.567 4.175 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)Nc2cc(C(C)(C)C)nn2Cc2ccccc2)CC[N@@H+]1C ZINC000174809152 822840400 /nfs/dbraw/zinc/84/04/00/822840400.db2.gz OIMPVKWFBIMCMJ-PKOBYXMFSA-N 1 0 397.567 4.175 20 0 GIADRO CC(C)[NH+]1CCC(C(=O)N2CCC[C@H]2c2cc(F)cc(Br)c2)CC1 ZINC000185981540 822840720 /nfs/dbraw/zinc/84/07/20/822840720.db2.gz KUANPLULMQLFJP-SFHVURJKSA-N 1 0 397.332 4.372 20 0 GIADRO COC(=O)c1sc(NCc2ccccc2C[NH+]2CCCCC2)nc1Cl ZINC000053553631 822840727 /nfs/dbraw/zinc/84/07/27/822840727.db2.gz MTKXYJQFYMYOHL-UHFFFAOYSA-N 1 0 379.913 4.181 20 0 GIADRO COc1cc(Br)c(C[NH2+][C@H](C)c2ccc(C)cc2O)cc1OC ZINC000185985056 822841219 /nfs/dbraw/zinc/84/12/19/822841219.db2.gz JPHVHMAJELLDRR-GFCCVEGCSA-N 1 0 380.282 4.331 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)c2cc(COC(C)(C)C)on2)CC[N@@H+]1Cc1ccccc1 ZINC000185987894 822841480 /nfs/dbraw/zinc/84/14/80/822841480.db2.gz UCMYZDZFEKZFBT-MJGOQNOKSA-N 1 0 399.535 4.115 20 0 GIADRO CC(C)[C@@]1(C)C[C@@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C(F)(F)F ZINC000185992280 822841865 /nfs/dbraw/zinc/84/18/65/822841865.db2.gz QLQHZSHKLAQAJI-VQIMIIECSA-N 1 0 383.458 4.078 20 0 GIADRO C[C@@H]1CCCCN1C(=O)C[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000174822141 822842028 /nfs/dbraw/zinc/84/20/28/822842028.db2.gz DGNVGOZOPKLYED-CQSZACIVSA-N 1 0 375.900 4.062 20 0 GIADRO Cc1cc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)ccc1OCC(F)(F)F ZINC000174823976 822842151 /nfs/dbraw/zinc/84/21/51/822842151.db2.gz ICCOREBQEYPKNB-SJORKVTESA-N 1 0 399.457 4.415 20 0 GIADRO Cn1c(C[N@H+](C)C2CCN(C(=O)OC(C)(C)C)CC2)nc2cc(Cl)ccc21 ZINC000174825062 822842333 /nfs/dbraw/zinc/84/23/33/822842333.db2.gz XLAXMBFMUMZCJZ-UHFFFAOYSA-N 1 0 392.931 4.058 20 0 GIADRO CCn1c(C[N@H+](C)C2CCN(C(=O)OC(C)(C)C)CC2)nc2cc(F)ccc21 ZINC000174824824 822842369 /nfs/dbraw/zinc/84/23/69/822842369.db2.gz LYOROAYXFQPZJK-UHFFFAOYSA-N 1 0 390.503 4.027 20 0 GIADRO CC1CC[NH+](Cc2ccc(NC(=O)c3csc(-c4cnn(C)c4)n3)cc2)CC1 ZINC000053619265 822843035 /nfs/dbraw/zinc/84/30/35/822843035.db2.gz USUHHJXJCDXSMW-UHFFFAOYSA-N 1 0 395.532 4.028 20 0 GIADRO Cc1nc([C@H]2CCCN2C(=O)NCc2ccccc2C[NH+]2CCCC2)cs1 ZINC000186008064 822843426 /nfs/dbraw/zinc/84/34/26/822843426.db2.gz MXOKGKHQIRTDBY-HXUWFJFHSA-N 1 0 384.549 4.094 20 0 GIADRO C[C@@H](C(=O)Nc1cccnc1Cl)[N@H+](C)CCCOc1ccc(Cl)cc1 ZINC000053681459 822844737 /nfs/dbraw/zinc/84/47/37/822844737.db2.gz VOUKPFHEQHEVOQ-ZDUSSCGKSA-N 1 0 382.291 4.116 20 0 GIADRO Cc1c(C(=O)Nc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)[nH]c2c1C(=O)CCC2 ZINC000053720547 822845969 /nfs/dbraw/zinc/84/59/69/822845969.db2.gz GLURSXCOTNAPMA-OAHLLOKOSA-N 1 0 379.504 4.469 20 0 GIADRO CC[C@@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(Cl)s1 ZINC000186041286 822846385 /nfs/dbraw/zinc/84/63/85/822846385.db2.gz BWNMACGDBSMKSW-OAHLLOKOSA-N 1 0 384.954 4.182 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000174851230 822846387 /nfs/dbraw/zinc/84/63/87/822846387.db2.gz LSXXQXIMPUGUHJ-RDJZCZTQSA-N 1 0 385.474 4.010 20 0 GIADRO C[C@H](CC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1)C(=O)c1cccc(F)c1 ZINC000174856050 822847129 /nfs/dbraw/zinc/84/71/29/822847129.db2.gz QCPRERYTTACRQE-QYZOEREBSA-N 1 0 388.527 4.148 20 0 GIADRO c1ccc(C[N@H+]2C[C@@H]3CC[C@H](NCc4ncc(-c5ccccc5)cn4)[C@@H]3C2)cc1 ZINC000186048618 822847098 /nfs/dbraw/zinc/84/70/98/822847098.db2.gz NNSRDVHCTSQGON-QTJGBDASSA-N 1 0 384.527 4.144 20 0 GIADRO C[C@@H](c1nc2ccccc2s1)[N@H+](C)CCC(=O)NC(=O)Nc1ccccc1 ZINC000053782354 822847995 /nfs/dbraw/zinc/84/79/95/822847995.db2.gz YBYGDDGAWYODSR-AWEZNQCLSA-N 1 0 382.489 4.028 20 0 GIADRO CN(C(=O)CCSc1ccc(F)cc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457063203 822849124 /nfs/dbraw/zinc/84/91/24/822849124.db2.gz BMSUVRHBZMRCPH-UHFFFAOYSA-N 1 0 392.462 4.183 20 0 GIADRO CN(C(=O)CC1CC(c2ccccc2)C1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457062650 822849159 /nfs/dbraw/zinc/84/91/59/822849159.db2.gz DGXMTRYKEUVUGP-UHFFFAOYSA-N 1 0 382.470 4.446 20 0 GIADRO CN(C(=O)c1ncsc1-c1ccccc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457072606 822850084 /nfs/dbraw/zinc/85/00/84/822850084.db2.gz RRPVHIQTOIAZIQ-UHFFFAOYSA-N 1 0 397.466 4.299 20 0 GIADRO CC[C@@H](NC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1)c1ccncc1 ZINC000174882196 822850350 /nfs/dbraw/zinc/85/03/50/822850350.db2.gz YRTCXLQVAMABMK-JOCHJYFZSA-N 1 0 380.536 4.264 20 0 GIADRO CN(C(=O)C1(c2cccc(Cl)c2)CC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457079438 822850721 /nfs/dbraw/zinc/85/07/21/822850721.db2.gz FHGFJZFMCRRBEU-UHFFFAOYSA-N 1 0 388.861 4.247 20 0 GIADRO CC[C@H]1C[N@H+](CC(=O)Nc2cccc(NC(C)=O)c2)CC[C@@H]1c1ccccc1 ZINC000174886292 822850866 /nfs/dbraw/zinc/85/08/66/822850866.db2.gz FAXTXDJZACGHEX-AVRDEDQJSA-N 1 0 379.504 4.099 20 0 GIADRO CN(C(=O)CCc1ccccc1Cl)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457081129 822850977 /nfs/dbraw/zinc/85/09/77/822850977.db2.gz HLMSSJPRTAIINC-UHFFFAOYSA-N 1 0 376.850 4.148 20 0 GIADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)c2csc(-c3cccs3)n2)C1 ZINC000457081585 822850999 /nfs/dbraw/zinc/85/09/99/822850999.db2.gz DGDHSZOMPZZAJL-AWEZNQCLSA-N 1 0 377.579 4.090 20 0 GIADRO CN(C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457085664 822851656 /nfs/dbraw/zinc/85/16/56/822851656.db2.gz MUEMBHZDNUJVSR-CHWSQXEVSA-N 1 0 388.396 4.230 20 0 GIADRO CN(C(=O)Cc1ccccc1C(F)(F)F)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457087068 822851766 /nfs/dbraw/zinc/85/17/66/822851766.db2.gz PRQGGPCPFTYBKF-UHFFFAOYSA-N 1 0 396.375 4.123 20 0 GIADRO Cc1nc(CC(C)C)sc1C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457089239 822852151 /nfs/dbraw/zinc/85/21/51/822852151.db2.gz SPURPMXOAXPGRD-UHFFFAOYSA-N 1 0 391.503 4.139 20 0 GIADRO CN(C(=O)c1cc(F)c(F)cc1Cl)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457090775 822852541 /nfs/dbraw/zinc/85/25/41/822852541.db2.gz VFVRNDCVRAZDBD-UHFFFAOYSA-N 1 0 384.776 4.107 20 0 GIADRO CCC(CC)n1nc(C)cc1C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457091518 822852561 /nfs/dbraw/zinc/85/25/61/822852561.db2.gz WHURGMJWEGSBEN-UHFFFAOYSA-N 1 0 388.478 4.041 20 0 GIADRO CCC[C@H](CNC(=O)C[NH+]1CCC(OC)CC1)c1ccc(Cl)cc1Cl ZINC000053907299 822852550 /nfs/dbraw/zinc/85/25/50/822852550.db2.gz OHVXHWVADXKBMI-CQSZACIVSA-N 1 0 387.351 4.104 20 0 GIADRO CCC(CC)n1ncc(C(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)c1C ZINC000457092284 822852638 /nfs/dbraw/zinc/85/26/38/822852638.db2.gz WYSSZGJXTHLCKN-UHFFFAOYSA-N 1 0 388.478 4.041 20 0 GIADRO C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)o1 ZINC000457093022 822852675 /nfs/dbraw/zinc/85/26/75/822852675.db2.gz XYYICIWEXLFWFF-XBVQOTNRSA-N 1 0 398.469 4.382 20 0 GIADRO CCc1onc(-c2ccccc2Cl)c1C(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000457101024 822853268 /nfs/dbraw/zinc/85/32/68/822853268.db2.gz XNTFVDJOLHELAZ-CQSZACIVSA-N 1 0 375.900 4.112 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1ccn(C2CCCC2)n1)c1cccc(C(F)(F)F)c1 ZINC000186129515 822854132 /nfs/dbraw/zinc/85/41/32/822854132.db2.gz MAHQHPMXVVQVJV-GOSISDBHSA-N 1 0 394.441 4.050 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C[C@H](C)C(=O)c2cccc(F)c2)CC1 ZINC000174907855 822854149 /nfs/dbraw/zinc/85/41/49/822854149.db2.gz BPWVBQGLKAJTRO-ZWKOTPCHSA-N 1 0 396.506 4.376 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000053968511 822854959 /nfs/dbraw/zinc/85/49/59/822854959.db2.gz NOFYVEJXNRERHQ-WMZOPIPTSA-N 1 0 382.470 4.444 20 0 GIADRO CC(C)(C)OC(=O)Cc1ccccc1NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000174914472 822855218 /nfs/dbraw/zinc/85/52/18/822855218.db2.gz PWSLLYAOTMUXNO-UHFFFAOYSA-N 1 0 389.540 4.002 20 0 GIADRO CCCCCOc1ccc(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000053990223 822855834 /nfs/dbraw/zinc/85/58/34/822855834.db2.gz FWEUJMWEGIVFKD-UHFFFAOYSA-N 1 0 381.520 4.045 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1ccc(-c2ccc(F)cc2)s1 ZINC000053990435 822855862 /nfs/dbraw/zinc/85/58/62/822855862.db2.gz SERXENIGJSVYAJ-UHFFFAOYSA-N 1 0 395.503 4.344 20 0 GIADRO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]C2CCC(OC(C)C)CC2)cc1 ZINC000186159876 822856857 /nfs/dbraw/zinc/85/68/57/822856857.db2.gz ARPCHGOZRGETAP-IJZHQTRZSA-N 1 0 393.593 4.406 20 0 GIADRO C[C@]1(C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CCCC[C@H]1O ZINC000174936562 822858215 /nfs/dbraw/zinc/85/82/15/822858215.db2.gz WQUKDANFHBFPIG-ISKFKSNPSA-N 1 0 390.531 4.024 20 0 GIADRO C[N@H+](CCCCNC(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1)C1CC1 ZINC000457170459 822858694 /nfs/dbraw/zinc/85/86/94/822858694.db2.gz QJFQRZPGACMBBL-UHFFFAOYSA-N 1 0 396.409 4.449 20 0 GIADRO C[N@H+](CCCCNC(=O)c1cc(Br)cc(C(F)(F)F)c1)C1CC1 ZINC000457173937 822859049 /nfs/dbraw/zinc/85/90/49/822859049.db2.gz VSFVSYZVRXZBPJ-UHFFFAOYSA-N 1 0 393.247 4.072 20 0 GIADRO C[N@H+](CCCCNC(=O)c1cc2ccc(Br)cc2s1)C1CC1 ZINC000457189564 822859542 /nfs/dbraw/zinc/85/95/42/822859542.db2.gz UIWBRYLECLESPG-UHFFFAOYSA-N 1 0 381.339 4.268 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)c2ccc(NC(=O)C(C)C)cc2)c1 ZINC000054032589 822859687 /nfs/dbraw/zinc/85/96/87/822859687.db2.gz HKUHYWQXXJBJQC-UHFFFAOYSA-N 1 0 381.520 4.053 20 0 GIADRO Cc1ncoc1C(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457193709 822859797 /nfs/dbraw/zinc/85/97/97/822859797.db2.gz IMZXYNQSNXBHQC-NRFANRHFSA-N 1 0 381.520 4.280 20 0 GIADRO O=C(CC[C@@H]1CCOC1)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457193807 822859914 /nfs/dbraw/zinc/85/99/14/822859914.db2.gz JKOKYGIMYJBIML-VWNXMTODSA-N 1 0 398.591 4.487 20 0 GIADRO Cc1cc(C(=O)N2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)no1 ZINC000457193762 822859934 /nfs/dbraw/zinc/85/99/34/822859934.db2.gz IZDHIYUNPDSJTM-QFIPXVFZSA-N 1 0 381.520 4.280 20 0 GIADRO O=C([C@@H]1CCCOC1)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457195482 822860033 /nfs/dbraw/zinc/86/00/33/822860033.db2.gz PBCAACSRYGRQBQ-PKTZIBPZSA-N 1 0 384.564 4.096 20 0 GIADRO CCOc1ccc([C@H](C)NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000054036345 822860311 /nfs/dbraw/zinc/86/03/11/822860311.db2.gz XVRLTRNREYNNPE-SFHVURJKSA-N 1 0 381.520 4.110 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)NCc2ccc(N3CCSCC3)cc2)cc1 ZINC000054035968 822860367 /nfs/dbraw/zinc/86/03/67/822860367.db2.gz PYEOTVYUAAANTD-UHFFFAOYSA-N 1 0 397.588 4.012 20 0 GIADRO Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)NC(C)(C)C[NH+](C)C ZINC000457208618 822860760 /nfs/dbraw/zinc/86/07/60/822860760.db2.gz NVUAIICUHPGGDL-UHFFFAOYSA-N 1 0 393.940 4.032 20 0 GIADRO CN(C(=O)c1ncoc1-c1ccc(F)cc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000186206107 822860831 /nfs/dbraw/zinc/86/08/31/822860831.db2.gz UBGLWEXOSYFJBO-FQEVSTJZSA-N 1 0 393.462 4.217 20 0 GIADRO CC[C@@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1cc(Br)ccc1O ZINC000186207718 822861005 /nfs/dbraw/zinc/86/10/05/822861005.db2.gz DLKXYIPMSFPUCT-CRAIPNDOSA-N 1 0 378.310 4.362 20 0 GIADRO Cc1ccc(C)c(SCC(=O)Nc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)c1 ZINC000186222458 822862257 /nfs/dbraw/zinc/86/22/57/822862257.db2.gz JIPVSHPWALNHEE-UHFFFAOYSA-N 1 0 399.560 4.233 20 0 GIADRO COc1cc(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)ccc1OC(C)C ZINC000186228746 822862924 /nfs/dbraw/zinc/86/29/24/822862924.db2.gz SMBMNJZOMDKKMO-KRWDZBQOSA-N 1 0 387.480 4.034 20 0 GIADRO CC(C)(C)OC(=O)C1CCC([NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000186232493 822863004 /nfs/dbraw/zinc/86/30/04/822863004.db2.gz QAWXGMDTDMXDEK-ZFLCWFNBSA-N 1 0 381.463 4.285 20 0 GIADRO CC(C)c1ccc2c(c1)[C@@H](NC(=O)NC1CC[NH+](Cc3ccncc3)CC1)CC2 ZINC000186232564 822863203 /nfs/dbraw/zinc/86/32/03/822863203.db2.gz YREWKBGGJLKTOH-QHCPKHFHSA-N 1 0 392.547 4.156 20 0 GIADRO CCNC(=O)Nc1c(C)cccc1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000457288537 822863304 /nfs/dbraw/zinc/86/33/04/822863304.db2.gz BRRFAPVEMROQGL-UHFFFAOYSA-N 1 0 394.519 4.375 20 0 GIADRO CC[NH+]1CCN(Cc2ccccc2CN[C@@H](C)c2csc(C(C)C)n2)CC1 ZINC000186250722 822864919 /nfs/dbraw/zinc/86/49/19/822864919.db2.gz DDWKFMWRCKJQKM-SFHVURJKSA-N 1 0 386.609 4.255 20 0 GIADRO CCC(CC)c1cc(CNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)on1 ZINC000174996042 822865197 /nfs/dbraw/zinc/86/51/97/822865197.db2.gz UDRMYXKEMYWDLM-UHFFFAOYSA-N 1 0 384.524 4.173 20 0 GIADRO COc1ccc([C@@H]2CCCCC[N@@H+]2CCc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000054172963 822865598 /nfs/dbraw/zinc/86/55/98/822865598.db2.gz OLOYTZGJTUVITL-NRFANRHFSA-N 1 0 377.488 4.092 20 0 GIADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)Nc3ccc(-c4ccc(Cl)s4)nc3)C[C@@H]21 ZINC000568963706 822865652 /nfs/dbraw/zinc/86/56/52/822865652.db2.gz KNZZFFQHBYGGJX-FPMFFAJLSA-N 1 0 376.913 4.055 20 0 GIADRO O=C(Nc1cccc2c1CC[NH2+]C2)NC1(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000568963939 822865741 /nfs/dbraw/zinc/86/57/41/822865741.db2.gz GZHZHSYEKOCUIQ-UHFFFAOYSA-N 1 0 391.393 4.042 20 0 GIADRO CC(C)N(C)C(=O)C1CC[NH+](Cc2cccc(C(=O)Nc3ccccc3)c2)CC1 ZINC000054174967 822865850 /nfs/dbraw/zinc/86/58/50/822865850.db2.gz OBVJNZCWXCKIKB-UHFFFAOYSA-N 1 0 393.531 4.018 20 0 GIADRO C[C@H](c1ccc(Cl)cc1Cl)[N@H+](C)CCc1nc2ccccc2c(=O)[nH]1 ZINC000054174169 822866013 /nfs/dbraw/zinc/86/60/13/822866013.db2.gz HTXAOXOQGUPFBB-GFCCVEGCSA-N 1 0 376.287 4.465 20 0 GIADRO Cc1ccc(NC(=O)[C@@H](c2ccccc2)C2CC2)cc1NC(=O)CC[NH+](C)C ZINC000186259714 822866245 /nfs/dbraw/zinc/86/62/45/822866245.db2.gz IOJGDLQTEOCGHC-QFIPXVFZSA-N 1 0 379.504 4.018 20 0 GIADRO CC1(C)[C@H](c2ccccc2)CCN1C(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000568973480 822866730 /nfs/dbraw/zinc/86/67/30/822866730.db2.gz IKCCDNHITWIVHB-YADHBBJMSA-N 1 0 377.532 4.088 20 0 GIADRO [NH3+]C[C@@H]1CN(C(=O)N[C@H](CC2CCCCC2)c2ccccc2)CC12CCOCC2 ZINC000568974725 822866739 /nfs/dbraw/zinc/86/67/39/822866739.db2.gz POPRIDJDDFQCNE-FGZHOGPDSA-N 1 0 399.579 4.095 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1c(F)cccc1OC ZINC000186263434 822866828 /nfs/dbraw/zinc/86/68/28/822866828.db2.gz PKBTZFSLTJVRDQ-GOSISDBHSA-N 1 0 385.483 4.210 20 0 GIADRO Cc1ccc(NC(=O)c2ccc(-c3ccccc3)[nH]2)cc1NC(=O)CC[NH+](C)C ZINC000186272522 822868150 /nfs/dbraw/zinc/86/81/50/822868150.db2.gz SYQXTRDCXFCOEV-UHFFFAOYSA-N 1 0 390.487 4.133 20 0 GIADRO COc1cncc(/C=C\CC[NH2+][C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)c1 ZINC000568997218 822868529 /nfs/dbraw/zinc/86/85/29/822868529.db2.gz JLFFFZBEGFHBHG-VGVVRCBHSA-N 1 0 382.430 4.220 20 0 GIADRO C[NH2+]Cc1ccc(NC(=O)[C@@H]2C[C@@]23CCc2cc(Br)ccc23)cc1 ZINC000569004437 822868819 /nfs/dbraw/zinc/86/88/19/822868819.db2.gz FBPGPDUZVQXUJJ-AZUAARDMSA-N 1 0 385.305 4.011 20 0 GIADRO COC(=O)c1sccc1C[NH2+][C@@H]1CCN(C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000569010247 822869248 /nfs/dbraw/zinc/86/92/48/822869248.db2.gz IWXQRNVNSMXGFW-MSOLQXFVSA-N 1 0 394.487 4.127 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)c2csc(-c3ccoc3)n2)CC1 ZINC000175024663 822869779 /nfs/dbraw/zinc/86/97/79/822869779.db2.gz GGIPJJVCSSYWPT-UHFFFAOYSA-N 1 0 381.501 4.140 20 0 GIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Cc2csc(-c3ccccc3)n2)C1 ZINC000054227371 822869853 /nfs/dbraw/zinc/86/98/53/822869853.db2.gz KOCWVPVGCNAIKG-PXNSSMCTSA-N 1 0 391.540 4.304 20 0 GIADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NC[C@@H](Cc1ccccc1)c1ccccc1 ZINC000569016001 822869937 /nfs/dbraw/zinc/86/99/37/822869937.db2.gz LAPOQYUWCDMHKG-AGILITTLSA-N 1 0 391.559 4.281 20 0 GIADRO Cc1ccc(-c2nc(C(=O)N(Cc3ccccc3)C3CC[NH+](C)CC3)cs2)o1 ZINC000175026815 822870204 /nfs/dbraw/zinc/87/02/04/822870204.db2.gz ILEVAHFFQCVEGF-UHFFFAOYSA-N 1 0 395.528 4.448 20 0 GIADRO C[C@H]1CCN(C(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)[C@@H](C)[C@H]1[NH3+] ZINC000457365497 822870531 /nfs/dbraw/zinc/87/05/31/822870531.db2.gz SLTDERUWBPEURX-LXIYXOSZSA-N 1 0 393.409 4.091 20 0 GIADRO Cc1ccc(-c2nc(C)c(C(=O)N3CC[C@@H](c4ccc(F)cc4)[C@H]([NH3+])C3)s2)o1 ZINC000457369721 822870908 /nfs/dbraw/zinc/87/09/08/822870908.db2.gz MVROBFIIIVEGOC-DLBZAZTESA-N 1 0 399.491 4.116 20 0 GIADRO Cc1cc(C[NH3+])cc(NC(=O)CCCOc2ccccc2Br)c1 ZINC000457371106 822870953 /nfs/dbraw/zinc/87/09/53/822870953.db2.gz IOKZTTKHALWDOK-UHFFFAOYSA-N 1 0 377.282 4.014 20 0 GIADRO CC[C@H](CC(=O)N1CC[C@H](c2ccc(OC)c(F)c2)[C@@H]([NH3+])C1)c1ccccc1 ZINC000457374129 822871171 /nfs/dbraw/zinc/87/11/71/822871171.db2.gz KHTXAWWYXKAQNN-BSIFCXSSSA-N 1 0 384.495 4.061 20 0 GIADRO CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)NC[C@@H]([NH2+][C@@H](C)CC)c1ccco1 ZINC000569040864 822872243 /nfs/dbraw/zinc/87/22/43/822872243.db2.gz KKYIHMJAHWJQOJ-ZSZQSSIHSA-N 1 0 397.523 4.163 20 0 GIADRO CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)NC[C@H]([NH2+][C@@H](C)CC)c1ccco1 ZINC000569040860 822872376 /nfs/dbraw/zinc/87/23/76/822872376.db2.gz KKYIHMJAHWJQOJ-GMBSWORKSA-N 1 0 397.523 4.163 20 0 GIADRO CSCc1cccnc1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000569043310 822872721 /nfs/dbraw/zinc/87/27/21/822872721.db2.gz JQEFMCMIPZANIL-CTNGQTDRSA-N 1 0 395.572 4.071 20 0 GIADRO Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]C[C@@H](CO)c1ccccc1 ZINC000175047460 822873281 /nfs/dbraw/zinc/87/32/81/822873281.db2.gz HNWTULFUOBUGJX-FQEVSTJZSA-N 1 0 383.923 4.067 20 0 GIADRO CCN(C(=O)Cc1coc(-c2cccs2)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186302457 822873363 /nfs/dbraw/zinc/87/33/63/822873363.db2.gz YNLXBQFPZZTAAJ-IBGZPJMESA-N 1 0 395.528 4.069 20 0 GIADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cccc(NC(=O)c3cccs3)c2)C1 ZINC000054286835 822873386 /nfs/dbraw/zinc/87/33/86/822873386.db2.gz SFXZSEPSDFANSZ-MRXNPFEDSA-N 1 0 399.560 4.241 20 0 GIADRO CCN(C(=O)c1cnc(Cl)c(Cl)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186304127 822873548 /nfs/dbraw/zinc/87/35/48/822873548.db2.gz RYYDMMQQTQQOCA-MRXNPFEDSA-N 1 0 378.303 4.125 20 0 GIADRO OC[C@@H](C[NH2+]Cc1csc(COc2ccc(Cl)cc2)n1)c1ccccc1 ZINC000175050084 822873847 /nfs/dbraw/zinc/87/38/47/822873847.db2.gz SEKXHYVLEURSCR-MRXNPFEDSA-N 1 0 388.920 4.241 20 0 GIADRO Cc1ccccc1NC(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000175051888 822874263 /nfs/dbraw/zinc/87/42/63/822874263.db2.gz FFILDAQQIYTKBH-UHFFFAOYSA-N 1 0 381.520 4.188 20 0 GIADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(-c3nc(CC(F)(F)F)no3)c2)C12CCC2 ZINC000569055547 822874588 /nfs/dbraw/zinc/87/45/88/822874588.db2.gz LTJZBTXOZHMMJZ-HZPDHXFCSA-N 1 0 395.425 4.279 20 0 GIADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)[C@H](C)CC(F)(F)F)CC1 ZINC000457437535 822875223 /nfs/dbraw/zinc/87/52/23/822875223.db2.gz QXKXRWYVZGLKFV-GFCCVEGCSA-N 1 0 377.838 4.009 20 0 GIADRO C[C@H](NC(=O)[C@H](C)N1CCC([NH+]2CCCC2)CC1)c1ccc(Cl)cc1Cl ZINC000054317246 822875868 /nfs/dbraw/zinc/87/58/68/822875868.db2.gz CZMDNMPOQXGROB-GJZGRUSLSA-N 1 0 398.378 4.119 20 0 GIADRO COc1cc(C[NH2+]C[C@@H]2CCCO[C@H]2C(C)C)ccc1OCc1ccncc1 ZINC000175062263 822876071 /nfs/dbraw/zinc/87/60/71/822876071.db2.gz WOZSDBGFEQSTMJ-REWPJTCUSA-N 1 0 384.520 4.210 20 0 GIADRO CC1CCN(C(=O)C2CC[NH+](Cc3ccc(Cl)c4cccnc34)CC2)CC1 ZINC000054337301 822876761 /nfs/dbraw/zinc/87/67/61/822876761.db2.gz HHXODHALLLYCJH-UHFFFAOYSA-N 1 0 385.939 4.359 20 0 GIADRO C[NH+]1CCC(NC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nc2)CC1 ZINC000175066516 822876736 /nfs/dbraw/zinc/87/67/36/822876736.db2.gz HVUXNRWXVKKZSG-UHFFFAOYSA-N 1 0 380.275 4.005 20 0 GIADRO C[N@@H+]1CCN(CCC(=O)Nc2cc(Cl)ccc2Cl)C2(CCCCC2)C1 ZINC000175068247 822876991 /nfs/dbraw/zinc/87/69/91/822876991.db2.gz NGFZOTSRKGKXPC-UHFFFAOYSA-N 1 0 384.351 4.272 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c2ccccc2O1 ZINC000457459590 822877127 /nfs/dbraw/zinc/87/71/27/822877127.db2.gz XHKRYEJTJIVZSG-QRQLOZEOSA-N 1 0 383.492 4.018 20 0 GIADRO O=C(Nc1ccc2c(c1)CCC2=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000569080486 822877993 /nfs/dbraw/zinc/87/79/93/822877993.db2.gz ZDFDUUKKSPMNDH-SEJPIABJSA-N 1 0 389.499 4.133 20 0 GIADRO FC(F)n1ccnc1CN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000175077366 822878229 /nfs/dbraw/zinc/87/82/29/822878229.db2.gz SRDZENUNRANNHT-UHFFFAOYSA-N 1 0 380.442 4.166 20 0 GIADRO CC(C)Nc1ncccc1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000175083739 822879247 /nfs/dbraw/zinc/87/92/47/822879247.db2.gz UJAQZPDAJKNJHD-UYAOXDASSA-N 1 0 380.536 4.027 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2ccccc2N2CCCC2)C1 ZINC000054382179 822879509 /nfs/dbraw/zinc/87/95/09/822879509.db2.gz HBBNBFDERZAOOZ-QUCCMNQESA-N 1 0 378.520 4.244 20 0 GIADRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)Cc1csc(-c2cccc(C)c2)n1 ZINC000569118392 822881341 /nfs/dbraw/zinc/88/13/41/822881341.db2.gz GYAOGWFFZVOFNJ-FQEVSTJZSA-N 1 0 379.529 4.040 20 0 GIADRO Cc1ccccc1NC(=O)C[N@@H+](C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 ZINC000054392911 822881494 /nfs/dbraw/zinc/88/14/94/822881494.db2.gz BVEPXNHNQBLLSA-UHFFFAOYSA-N 1 0 394.494 4.038 20 0 GIADRO CCN(C(=O)c1cc(-c2csc(C)n2)c[nH]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186359507 822881538 /nfs/dbraw/zinc/88/15/38/822881538.db2.gz DSYNXNDNXIMMIP-IBGZPJMESA-N 1 0 394.544 4.183 20 0 GIADRO Cc1cc(Br)c(F)cc1NC1CC[NH+](Cc2cccnc2)CC1 ZINC000186360822 822881864 /nfs/dbraw/zinc/88/18/64/822881864.db2.gz ZUXIZMWBCGNUOP-UHFFFAOYSA-N 1 0 378.289 4.368 20 0 GIADRO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]Cc1ccc2c(c1)COC(C)(C)O2 ZINC000186360706 822881875 /nfs/dbraw/zinc/88/18/75/822881875.db2.gz PBKXJNAAHSEJLF-UHFFFAOYSA-N 1 0 391.515 4.483 20 0 GIADRO Cc1cc(Br)c(C(=O)NC2CC[NH+](CC3CCCC3)CC2)s1 ZINC000457496588 822881823 /nfs/dbraw/zinc/88/18/23/822881823.db2.gz JAOUXGORUMFDFM-UHFFFAOYSA-N 1 0 385.371 4.203 20 0 GIADRO CC(C)C(=O)Nc1cccc(NC(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000054406247 822882511 /nfs/dbraw/zinc/88/25/11/822882511.db2.gz NQHPQLATSKXPCW-LAUBAEHRSA-N 1 0 394.519 4.238 20 0 GIADRO CCOC(=O)CC(C)(C)CC[NH2+][C@H](c1cncc(Br)c1)C1CC1 ZINC000569136149 822882798 /nfs/dbraw/zinc/88/27/98/822882798.db2.gz YNAJIFSLMBJAJA-KRWDZBQOSA-N 1 0 383.330 4.254 20 0 GIADRO CC1(C)OCc2cc(C[NH2+]Cc3ccc(N4CCCCC4=O)cc3)ccc2O1 ZINC000186369717 822883097 /nfs/dbraw/zinc/88/30/97/822883097.db2.gz HOMCFYBDPVJSNF-UHFFFAOYSA-N 1 0 380.488 4.138 20 0 GIADRO CCOc1cccc2cc([C@H](C)NC(=O)NC(C)(C)CCC[NH+](C)C)oc21 ZINC000457511866 822883767 /nfs/dbraw/zinc/88/37/67/822883767.db2.gz GULLIHRLOCEADU-HNNXBMFYSA-N 1 0 375.513 4.312 20 0 GIADRO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000186373681 822884033 /nfs/dbraw/zinc/88/40/33/822884033.db2.gz RMEHBRZMATZFDS-QGZVFWFLSA-N 1 0 390.524 4.068 20 0 GIADRO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000186373663 822884041 /nfs/dbraw/zinc/88/40/41/822884041.db2.gz RMEHBRZMATZFDS-KRWDZBQOSA-N 1 0 390.524 4.068 20 0 GIADRO O=C(CC[NH+]1CCC(OCc2ccccc2)CC1)N[C@H]1CCCc2ccccc21 ZINC000054429393 822884376 /nfs/dbraw/zinc/88/43/76/822884376.db2.gz CCHTZWJPPROUHT-DEOSSOPVSA-N 1 0 392.543 4.252 20 0 GIADRO CC[C@H](C)NC(=O)c1cccc(C[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)c1 ZINC000186376885 822884377 /nfs/dbraw/zinc/88/43/77/822884377.db2.gz AJEPYAIZJYVYOX-INIZCTEOSA-N 1 0 382.504 4.150 20 0 GIADRO COc1ccccc1[C@H](C[NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1)OC(C)C ZINC000186378872 822884972 /nfs/dbraw/zinc/88/49/72/822884972.db2.gz IGESLQGKTYEPCT-VGSWGCGISA-N 1 0 398.503 4.469 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H](C)c1nc2c(s1)CCC2 ZINC000457533213 822886830 /nfs/dbraw/zinc/88/68/30/822886830.db2.gz REDBNVLDFODCDN-OAHLLOKOSA-N 1 0 386.565 4.034 20 0 GIADRO Cc1c(C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)sc2cccc(F)c12 ZINC000175122783 822886974 /nfs/dbraw/zinc/88/69/74/822886974.db2.gz JYMIUXFDFGGXGM-UHFFFAOYSA-N 1 0 390.524 4.066 20 0 GIADRO CC1(C)[C@H]([NH2+]C2CCN(Cc3cccnc3)CC2)C[C@H]1OCc1ccccc1 ZINC000186395965 822887587 /nfs/dbraw/zinc/88/75/87/822887587.db2.gz PBQAPCJLXYWVTO-DHIUTWEWSA-N 1 0 379.548 4.020 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccc(-c2ccccc2)o1 ZINC000569167941 822887630 /nfs/dbraw/zinc/88/76/30/822887630.db2.gz BQSVGRAPQJPCMZ-UHFFFAOYSA-N 1 0 390.483 4.403 20 0 GIADRO CC1(C)[C@@H]([NH2+]C2CCN(Cc3cccnc3)CC2)C[C@@H]1OCc1ccccc1 ZINC000186395163 822887597 /nfs/dbraw/zinc/88/75/97/822887597.db2.gz PBQAPCJLXYWVTO-GOTSBHOMSA-N 1 0 379.548 4.020 20 0 GIADRO C[C@H](CC(F)(F)F)C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000457541099 822888073 /nfs/dbraw/zinc/88/80/73/822888073.db2.gz SNVLXZPNCPJRPV-CQSZACIVSA-N 1 0 385.430 4.028 20 0 GIADRO CC1(C)[C@H]([NH2+]C2CCN(CCC(F)(F)F)CC2)C[C@@H]1OCc1ccccc1 ZINC000186398005 822888126 /nfs/dbraw/zinc/88/81/26/822888126.db2.gz LHAUTFYBWJBQMJ-MOPGFXCFSA-N 1 0 384.486 4.377 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)N2CC(c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000457541048 822888149 /nfs/dbraw/zinc/88/81/49/822888149.db2.gz WSYBQCTYIRYYMG-UHFFFAOYSA-N 1 0 391.437 4.076 20 0 GIADRO Cn1cccc1[C@H]1CCCC[N@@H+]1Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000175131012 822888619 /nfs/dbraw/zinc/88/86/19/822888619.db2.gz XJRCCEXBINIXMR-JOCHJYFZSA-N 1 0 377.488 4.275 20 0 GIADRO C[C@@H](C[NH2+]Cc1ccc2c(c1)COC(C)(C)O2)c1nc(-c2ccccc2)no1 ZINC000186403142 822888803 /nfs/dbraw/zinc/88/88/03/822888803.db2.gz KCVHSYVNAYXYFO-HNNXBMFYSA-N 1 0 379.460 4.275 20 0 GIADRO O=C(c1ccc(Oc2cccc(Cl)c2)cn1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000457548536 822889285 /nfs/dbraw/zinc/88/92/85/822889285.db2.gz JORSXXSCZCLMCG-QGZVFWFLSA-N 1 0 385.895 4.228 20 0 GIADRO C[N@@H+]1CCC[C@H](CCNC(=O)NCc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000457550410 822889571 /nfs/dbraw/zinc/88/95/71/822889571.db2.gz CBCYLGHVAPSGRL-OAHLLOKOSA-N 1 0 398.532 4.087 20 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/nfs/dbraw/zinc/89/22/26/822892226.db2.gz HYXFGZMGONGROZ-HIFRSBDPSA-N 1 0 378.385 4.077 20 0 GIADRO COC(=O)N1CCC([C@H](C)[NH2+]Cc2nc(-c3c(F)cccc3F)cs2)CC1 ZINC000186426217 822892827 /nfs/dbraw/zinc/89/28/27/822892827.db2.gz OCIHBIHZNOZFDX-LBPRGKRZSA-N 1 0 395.475 4.045 20 0 GIADRO Brc1cccc2c1CCC[C@@H]2[NH2+]Cc1ccc(Cn2cncn2)cc1 ZINC000569208228 822893202 /nfs/dbraw/zinc/89/32/02/822893202.db2.gz ZZFKXOBMECDFKF-FQEVSTJZSA-N 1 0 397.320 4.256 20 0 GIADRO Cc1cc(OCc2ccccc2)c(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)s1 ZINC000457576416 822893680 /nfs/dbraw/zinc/89/36/80/822893680.db2.gz MIRDDPDUPRITJF-LJQANCHMSA-N 1 0 384.545 4.193 20 0 GIADRO CCOC(=O)N(C)c1ccc(NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000054530890 822893690 /nfs/dbraw/zinc/89/36/90/822893690.db2.gz RBAVCVBBNYRMMB-QGZVFWFLSA-N 1 0 390.528 4.055 20 0 GIADRO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000186431676 822894105 /nfs/dbraw/zinc/89/41/05/822894105.db2.gz OUQXNANKSICRFD-QHCPKHFHSA-N 1 0 395.453 4.399 20 0 GIADRO C[C@H](C(=O)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F)C1CCC1 ZINC000457591478 822895640 /nfs/dbraw/zinc/89/56/40/822895640.db2.gz BUDPJWCGAKTMES-FUHWJXTLSA-N 1 0 382.470 4.336 20 0 GIADRO COCCCn1nccc1C[NH2+]Cc1ccc(Oc2cc(C)ccc2C)nc1 ZINC000569242035 822895801 /nfs/dbraw/zinc/89/58/01/822895801.db2.gz IPWSIPRXBDCGMW-UHFFFAOYSA-N 1 0 380.492 4.014 20 0 GIADRO CCN(C(C)=O)c1nc(C[NH2+]CC2(c3ccc(F)cc3F)CCCC2)cs1 ZINC000186443232 822896534 /nfs/dbraw/zinc/89/65/34/822896534.db2.gz MFOJINVZEPNKJD-UHFFFAOYSA-N 1 0 393.503 4.396 20 0 GIADRO CCC(CC)[C@@H](CNC(=O)N[C@@H]1CCO[C@@H](c2cccs2)C1)[NH+]1CCCC1 ZINC000457620795 822898055 /nfs/dbraw/zinc/89/80/55/822898055.db2.gz QANZFCCQAIGKMD-GUDVDZBRSA-N 1 0 393.597 4.168 20 0 GIADRO Cc1oc2ccc(NC(=O)N3CCC(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)cc2c1C ZINC000186454919 822898332 /nfs/dbraw/zinc/89/83/32/822898332.db2.gz GSHFGNXDRZWYDX-IYBDPMFKSA-N 1 0 399.535 4.403 20 0 GIADRO C[C@H]1C[C@@H](NC(=O)COCc2cccc(Cl)c2)CC[N@@H+]1Cc1ccccc1 ZINC000457629421 822898650 /nfs/dbraw/zinc/89/86/50/822898650.db2.gz KWNNWJDUZBTZLF-UWJYYQICSA-N 1 0 386.923 4.026 20 0 GIADRO Cc1cc(Br)c(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)s1 ZINC000457635931 822899452 /nfs/dbraw/zinc/89/94/52/822899452.db2.gz JOZINUOXCYQISQ-IUODEOHRSA-N 1 0 393.350 4.212 20 0 GIADRO CCCC[C@H](COC)[NH2+]C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000186464013 822899435 /nfs/dbraw/zinc/89/94/35/822899435.db2.gz UOQPIXPXZFYQPP-MRXNPFEDSA-N 1 0 386.458 4.105 20 0 GIADRO CCOC(=O)N1CC[C@H]([NH2+][C@H](C)c2sc(-c3ccccc3F)nc2C)C1 ZINC000186463933 822899557 /nfs/dbraw/zinc/89/95/57/822899557.db2.gz PZISPMMNOFKKMI-OCCSQVGLSA-N 1 0 377.485 4.139 20 0 GIADRO CCCN(C(=O)NCC[N@H+](C)Cc1ccccc1)[C@H](C)c1ccccc1OC ZINC000569275115 822899865 /nfs/dbraw/zinc/89/98/65/822899865.db2.gz YHUOLGZRWGBETR-LJQANCHMSA-N 1 0 383.536 4.310 20 0 GIADRO Cc1cc(NC(=O)N[C@@H](C)C[N@H+](C)C(C)C)n(-c2cccc(C(F)(F)F)c2)n1 ZINC000569275623 822899931 /nfs/dbraw/zinc/89/99/31/822899931.db2.gz LEKSDIZYBMHZPV-AWEZNQCLSA-N 1 0 397.445 4.050 20 0 GIADRO Cc1c(Cl)cncc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000457643235 822900151 /nfs/dbraw/zinc/90/01/51/822900151.db2.gz CSVKBFWBBWUYIZ-GHTZIAJQSA-N 1 0 383.923 4.170 20 0 GIADRO CC(C)[NH+]1CCC(C(=O)N(C)CC2(c3ccc(Br)cc3)CC2)CC1 ZINC000175186087 822900293 /nfs/dbraw/zinc/90/02/93/822900293.db2.gz ZDWOTYUZBFAKAV-UHFFFAOYSA-N 1 0 393.369 4.060 20 0 GIADRO C[C@@H]([NH2+]CCOc1cccc(S(C)(=O)=O)c1)c1ccc(F)c2ccccc21 ZINC000569286910 822901772 /nfs/dbraw/zinc/90/17/72/822901772.db2.gz MQSROURWDGGNGW-OAHLLOKOSA-N 1 0 387.476 4.112 20 0 GIADRO C[C@H](NC(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1cncc(F)c1 ZINC000457653932 822901781 /nfs/dbraw/zinc/90/17/81/822901781.db2.gz AENKHTANAIGCCA-KSZLIROESA-N 1 0 398.526 4.259 20 0 GIADRO C[C@H](NC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)c1cncc(F)c1 ZINC000457654887 822902028 /nfs/dbraw/zinc/90/20/28/822902028.db2.gz PAEGPMAIGOZXMW-SJORKVTESA-N 1 0 384.499 4.156 20 0 GIADRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1[nH]ccc1C1CC1 ZINC000457657558 822902232 /nfs/dbraw/zinc/90/22/32/822902232.db2.gz FKLSUENPJXTSMF-LJQANCHMSA-N 1 0 389.503 4.096 20 0 GIADRO Cc1ccc(-c2nc(-c3nc([C@@H]4C[N@@H+]5CCC[C@]5(C)CO4)no3)cs2)c(C)c1 ZINC000569290566 822902501 /nfs/dbraw/zinc/90/25/01/822902501.db2.gz ZKPRBSPAZSRRLY-LAUBAEHRSA-N 1 0 396.516 4.403 20 0 GIADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccccc2COCc2ccccc2)C1 ZINC000457659562 822902513 /nfs/dbraw/zinc/90/25/13/822902513.db2.gz FNOVQBFAAOFJIM-HSZRJFAPSA-N 1 0 395.547 4.028 20 0 GIADRO CC(C)(C)C(=O)NCc1ccc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000175199056 822902581 /nfs/dbraw/zinc/90/25/81/822902581.db2.gz OBWFVEFBJWMKOH-UHFFFAOYSA-N 1 0 393.531 4.197 20 0 GIADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NCc2cccc(COCc3ccccc3)c2)C1 ZINC000457671846 822904552 /nfs/dbraw/zinc/90/45/52/822904552.db2.gz NYXXUUFUYIDNDK-HSZRJFAPSA-N 1 0 395.547 4.028 20 0 GIADRO COC[C@H]1CCCN(C(=O)Nc2cccc(-c3ncc4n3CCCC4)c2)CC1 ZINC000569311605 822905644 /nfs/dbraw/zinc/90/56/44/822905644.db2.gz YOBDHAVXFDVOII-KRWDZBQOSA-N 1 0 382.508 4.167 20 0 GIADRO O=C(c1cnc2ccccc2c1)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000457680980 822905782 /nfs/dbraw/zinc/90/57/82/822905782.db2.gz FVUDBASLTYMFSI-UHFFFAOYSA-N 1 0 385.511 4.363 20 0 GIADRO CCCOC[C@H](Cc1cccc(Br)c1)[NH2+][C@@H](C)c1c[nH]nc1C ZINC000186503619 822905786 /nfs/dbraw/zinc/90/57/86/822905786.db2.gz MNTOQDWVBXFSFX-GUYCJALGSA-N 1 0 380.330 4.169 20 0 GIADRO Cn1cc(C[NH2+]CC2(c3ccc(C(F)(F)F)cc3)CC2)c(-c2ccncc2)n1 ZINC000186507342 822906122 /nfs/dbraw/zinc/90/61/22/822906122.db2.gz NRKHNRJWTYJLNC-UHFFFAOYSA-N 1 0 386.421 4.322 20 0 GIADRO CC(C)c1nccn1Cc1cccc(NC(=O)NC[C@]2(C)CCCC[C@@H]2O)c1 ZINC000175218271 822907178 /nfs/dbraw/zinc/90/71/78/822907178.db2.gz ULZOXJAWLCKMEJ-UGKGYDQZSA-N 1 0 384.524 4.118 20 0 GIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N(Cc2ccco2)Cc2ccco2)C1 ZINC000054718171 822907338 /nfs/dbraw/zinc/90/73/38/822907338.db2.gz XIFYVRGNJPSULA-ICSRJNTNSA-N 1 0 393.487 4.420 20 0 GIADRO O=C(Nc1ccc(Oc2cccnc2)cc1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000569327688 822908156 /nfs/dbraw/zinc/90/81/56/822908156.db2.gz OFZZOIRTOYQPJB-SFHVURJKSA-N 1 0 383.517 4.030 20 0 GIADRO Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000569331244 822908723 /nfs/dbraw/zinc/90/87/23/822908723.db2.gz USIAWMBDQKHMNI-HXUWFJFHSA-N 1 0 379.504 4.484 20 0 GIADRO O=C(Nc1cccc(OCc2cccnc2)c1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000175234028 822910554 /nfs/dbraw/zinc/91/05/54/822910554.db2.gz ZLRUGSKQTCNIRH-OAQYLSRUSA-N 1 0 394.519 4.047 20 0 GIADRO COc1cncc(/C=C\CC[NH2+][C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)c1 ZINC000569357741 822910749 /nfs/dbraw/zinc/91/07/49/822910749.db2.gz ZXYRALBJDXXYDU-VOKGJARPSA-N 1 0 382.439 4.342 20 0 GIADRO Cc1nc(COc2ccc(C[NH2+]CCc3cn(C)c4cc(C)ccc34)cc2)no1 ZINC000186544843 822911004 /nfs/dbraw/zinc/91/10/04/822911004.db2.gz AGPNLPCXDYDJEH-UHFFFAOYSA-N 1 0 390.487 4.089 20 0 GIADRO Cc1cc(Br)c(C(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)s1 ZINC000457733924 822912245 /nfs/dbraw/zinc/91/22/45/822912245.db2.gz JXKXQWAZQCWNEF-DOMZBBRYSA-N 1 0 381.339 4.240 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC(c2cccc(C(F)(F)F)c2)C1 ZINC000457743013 822913426 /nfs/dbraw/zinc/91/34/26/822913426.db2.gz QSOZXJTYFDSPFI-INIZCTEOSA-N 1 0 397.485 4.469 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000457750146 822914181 /nfs/dbraw/zinc/91/41/81/822914181.db2.gz VJIHOVRJCBYFLU-RXVVDRJESA-N 1 0 397.567 4.454 20 0 GIADRO O=C(Cc1cc(Cl)ccc1Cl)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000186569442 822915262 /nfs/dbraw/zinc/91/52/62/822915262.db2.gz DQQPPVWKJIMATB-SFHVURJKSA-N 1 0 392.330 4.102 20 0 GIADRO Cc1csc([C@@H](C)C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)n1 ZINC000186570508 822915270 /nfs/dbraw/zinc/91/52/70/822915270.db2.gz YOXRNIURSGQFPX-ZDUSSCGKSA-N 1 0 377.941 4.103 20 0 GIADRO CC[N@@H+]1CCC[C@@H](CN(C)C(=O)[C@]2(C)CC[C@H](C)C2(C)C)[C@@H]1c1cnn(C)c1 ZINC000457755304 822915347 /nfs/dbraw/zinc/91/53/47/822915347.db2.gz YYJZPRNFXHASSV-DWXLDPMZSA-N 1 0 388.600 4.114 20 0 GIADRO CC(C)Oc1cccc(/C=C/C(=O)N(Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c1 ZINC000186573520 822915952 /nfs/dbraw/zinc/91/59/52/822915952.db2.gz CEDLXGGWSYJCHP-VDZCTEQFSA-N 1 0 393.531 4.053 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)COc3cccc4cccnc43)cc2)C1 ZINC000569400358 822917108 /nfs/dbraw/zinc/91/71/08/822917108.db2.gz QOWGWURRQDDOCV-SFHVURJKSA-N 1 0 389.499 4.484 20 0 GIADRO COc1ccc2nc(C[N@H+](C)[C@@H](C)c3ccc(-n4cncn4)cc3)sc2c1 ZINC000186582793 822917202 /nfs/dbraw/zinc/91/72/02/822917202.db2.gz SPPVPOALXLIZOW-AWEZNQCLSA-N 1 0 379.489 4.079 20 0 GIADRO O=C(Cc1c(Cl)cccc1Cl)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000186584562 822917606 /nfs/dbraw/zinc/91/76/06/822917606.db2.gz XDCKWRGODYFAGX-INIZCTEOSA-N 1 0 392.330 4.102 20 0 GIADRO O=C(c1cccc(Cl)c1Cl)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000186584371 822917626 /nfs/dbraw/zinc/91/76/26/822917626.db2.gz TVLSWQHVUXIBBV-OAHLLOKOSA-N 1 0 378.303 4.173 20 0 GIADRO COc1ccc(C[C@H]([NH2+]Cc2cncc(OC)c2)c2ccc(OC)cc2)cc1 ZINC000569406226 822917827 /nfs/dbraw/zinc/91/78/27/822917827.db2.gz KLFHALGASMKTJL-QHCPKHFHSA-N 1 0 378.472 4.181 20 0 GIADRO COC(=O)c1cc(C[NH2+][C@@H](c2ccc(Br)cc2)C2CCC2)cn1C ZINC000569410284 822918583 /nfs/dbraw/zinc/91/85/83/822918583.db2.gz QGSOJYLHFDNRQZ-GOSISDBHSA-N 1 0 391.309 4.205 20 0 GIADRO OC1(Cc2cccc(F)c2)CC[NH+](Cc2cccc(-c3cccnc3)c2)CC1 ZINC000186589459 822918604 /nfs/dbraw/zinc/91/86/04/822918604.db2.gz YJLCTBRWXQCZPJ-UHFFFAOYSA-N 1 0 376.475 4.457 20 0 GIADRO O=C(Cc1ccc(Cl)c(Cl)c1)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000186591114 822919302 /nfs/dbraw/zinc/91/93/02/822919302.db2.gz UJYJZKRKOHVZRK-QGZVFWFLSA-N 1 0 392.330 4.102 20 0 GIADRO Cc1cc(Br)c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)s1 ZINC000457791398 822919936 /nfs/dbraw/zinc/91/99/36/822919936.db2.gz BSPDKLDZGOXEOV-BBRMVZONSA-N 1 0 393.350 4.212 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)[C@H](C)c2ccc(Cl)s2)CC1 ZINC000175268545 822920084 /nfs/dbraw/zinc/92/00/84/822920084.db2.gz URFDOLHQFZWMBF-CQSZACIVSA-N 1 0 377.941 4.286 20 0 GIADRO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2cccc3c(Br)cccc23)C1 ZINC000569418714 822920527 /nfs/dbraw/zinc/92/05/27/822920527.db2.gz FSDMFVBZTQOJMT-MRXNPFEDSA-N 1 0 387.321 4.189 20 0 GIADRO COc1ccc(C[C@H](C)C[NH+]2CCC(C(=O)NCc3ccccc3)CC2)cc1F ZINC000186600760 822921780 /nfs/dbraw/zinc/92/17/80/822921780.db2.gz ZUBLFBQXTNIJEX-SFHVURJKSA-N 1 0 398.522 4.041 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)N(C)[C@H](C)c1ccccc1)[NH+]1CCCC1 ZINC000054920501 822922116 /nfs/dbraw/zinc/92/21/16/822922116.db2.gz JBLRRNNRKOQHTP-NQIIRXRSSA-N 1 0 381.520 4.235 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)N(C)[C@@H](C)c1ccccc1)[NH+]1CCCC1 ZINC000054920503 822922141 /nfs/dbraw/zinc/92/21/41/822922141.db2.gz JBLRRNNRKOQHTP-GHTZIAJQSA-N 1 0 381.520 4.235 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@H]1OCCc2ccccc21 ZINC000175276947 822922130 /nfs/dbraw/zinc/92/21/30/822922130.db2.gz JUERLGXENQTFPG-ZJSXRUAMSA-N 1 0 392.543 4.061 20 0 GIADRO COc1cccc([C@@H](CNC(=O)N[C@H](C)c2cc3ccccc3o2)[NH+](C)C)c1 ZINC000054921437 822922371 /nfs/dbraw/zinc/92/23/71/822922371.db2.gz UJDHXXZCDHCRQE-DNVCBOLYSA-N 1 0 381.476 4.105 20 0 GIADRO CCC(=O)Nc1cccc(C(=O)N(CC)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000175277240 822922543 /nfs/dbraw/zinc/92/25/43/822922543.db2.gz YSNFROUNDMOQEL-FQEVSTJZSA-N 1 0 393.531 4.019 20 0 GIADRO O=C(NC[C@@H]1CCCO1)c1cccc(C[NH2+]CC2CCC(C(F)(F)F)CC2)c1 ZINC000186606377 822922849 /nfs/dbraw/zinc/92/28/49/822922849.db2.gz UCOSCWHAPRCRFL-PPSBMQLTSA-N 1 0 398.469 4.054 20 0 GIADRO Fc1cccc([C@@H](C[NH2+]CC2CCC(C(F)(F)F)CC2)N2CCOCC2)c1 ZINC000186607872 822923073 /nfs/dbraw/zinc/92/30/73/822923073.db2.gz CJSKRVIUBCRTTH-GXOAENINSA-N 1 0 388.449 4.157 20 0 GIADRO C[NH2+][C@@H]1CCCN(C(=O)Nc2ccc(-c3ccc(Cl)cc3Cl)nc2)C1 ZINC000569437565 822923101 /nfs/dbraw/zinc/92/31/01/822923101.db2.gz INAJUHAWESQUST-CQSZACIVSA-N 1 0 379.291 4.271 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCc1c[nH]c2ccccc12 ZINC000175280470 822923120 /nfs/dbraw/zinc/92/31/20/822923120.db2.gz IXDJHPUVQFNUDM-OAQYLSRUSA-N 1 0 389.543 4.471 20 0 GIADRO FC(F)(F)c1cccc(NC(=S)NC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000054941356 822923293 /nfs/dbraw/zinc/92/32/93/822923293.db2.gz JXBHNMKYZKUSGS-UHFFFAOYSA-N 1 0 394.466 4.051 20 0 GIADRO Cc1ccc(NC(=S)NCCCC[NH+]2CCN(c3ccccc3)CC2)c(C)c1 ZINC000054939636 822923312 /nfs/dbraw/zinc/92/33/12/822923312.db2.gz KSIITQZAOZUZEQ-UHFFFAOYSA-N 1 0 396.604 4.192 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(-c2ccccc2)no1 ZINC000175281161 822923417 /nfs/dbraw/zinc/92/34/17/822923417.db2.gz FFJKFJPSRDIRNZ-HXUWFJFHSA-N 1 0 389.499 4.326 20 0 GIADRO Cc1cc(OCc2ccccc2)c(C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)s1 ZINC000457828876 822923597 /nfs/dbraw/zinc/92/35/97/822923597.db2.gz SFGNIBIRCYESPH-JOCHJYFZSA-N 1 0 384.545 4.193 20 0 GIADRO CN(C(=O)NCCc1ccc(Cl)s1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457845915 822925010 /nfs/dbraw/zinc/92/50/10/822925010.db2.gz MSGQSGHAJOXXLX-UHFFFAOYSA-N 1 0 397.894 4.002 20 0 GIADRO C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000457857050 822925955 /nfs/dbraw/zinc/92/59/55/822925955.db2.gz DKCCSCDYOQJGEY-MSYCTHLASA-N 1 0 392.547 4.022 20 0 GIADRO Clc1cccc(-c2noc(CC[N@@H+]3CC[C@]4(C3)OCc3ccccc34)n2)c1 ZINC000186637205 822927492 /nfs/dbraw/zinc/92/74/92/822927492.db2.gz DDPJPJGVYZXTDR-OAQYLSRUSA-N 1 0 381.863 4.064 20 0 GIADRO Cc1nc2sccn2c1-c1noc(C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000569495631 822929690 /nfs/dbraw/zinc/92/96/90/822929690.db2.gz IMPPCUCJCZRBOS-UHFFFAOYSA-N 1 0 379.489 4.134 20 0 GIADRO CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000186651506 822929845 /nfs/dbraw/zinc/92/98/45/822929845.db2.gz RJWJNPBOGWGOOI-QMHKHESXSA-N 1 0 394.494 4.218 20 0 GIADRO O=C(Nc1csc(-c2ccccn2)n1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000569499887 822930434 /nfs/dbraw/zinc/93/04/34/822930434.db2.gz OGAULCLNXDCLNM-UHFFFAOYSA-N 1 0 378.501 4.443 20 0 GIADRO C[N@H+](CCC(=O)Nc1ccccc1Br)CCc1ccc(F)cc1 ZINC000055025101 822931871 /nfs/dbraw/zinc/93/18/71/822931871.db2.gz QMPXPSWVBHVVKA-UHFFFAOYSA-N 1 0 379.273 4.091 20 0 GIADRO C[N@@H+]1CCN(CC(=O)Nc2ccccc2-c2ccccc2)C[C@H]1Cc1ccccc1 ZINC000569512399 822932317 /nfs/dbraw/zinc/93/23/17/822932317.db2.gz GVYYBYHBSLVEMU-HSZRJFAPSA-N 1 0 399.538 4.151 20 0 GIADRO Brc1ccc(-c2ccc(CNC3CC[NH+](C4CC4)CC3)o2)cc1 ZINC000055043154 822933729 /nfs/dbraw/zinc/93/37/29/822933729.db2.gz KXQLYYCOHSOOTD-UHFFFAOYSA-N 1 0 375.310 4.426 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)N(C)[C@H](C)c1cccs1)[NH+]1CCCC1 ZINC000055044798 822933939 /nfs/dbraw/zinc/93/39/39/822933939.db2.gz RRFKUGKOLPDZGZ-SJLPKXTDSA-N 1 0 387.549 4.296 20 0 GIADRO COc1cccc([C@H](CNC(=O)N(C)[C@H](C)c2cccs2)[NH+]2CCCC2)c1 ZINC000055046248 822934128 /nfs/dbraw/zinc/93/41/28/822934128.db2.gz WAXWFVJIPJADJG-APWZRJJASA-N 1 0 387.549 4.296 20 0 GIADRO COc1cccc([C@@H](CNC(=O)N(C)[C@@H](C)c2cccs2)[NH+]2CCCC2)c1 ZINC000055046250 822934232 /nfs/dbraw/zinc/93/42/32/822934232.db2.gz WAXWFVJIPJADJG-QFBILLFUSA-N 1 0 387.549 4.296 20 0 GIADRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@H](C)OCc1ccccc1 ZINC000186677518 822935357 /nfs/dbraw/zinc/93/53/57/822935357.db2.gz SRIBRGNYWIKNAQ-SFHVURJKSA-N 1 0 384.545 4.088 20 0 GIADRO COC(=O)c1ccc(Cl)c(C[NH2+][C@@H]2c3ccccc3CC23CCOCC3)c1 ZINC000569533170 822935669 /nfs/dbraw/zinc/93/56/69/822935669.db2.gz APUBNOQMHNYUKU-HXUWFJFHSA-N 1 0 385.891 4.310 20 0 GIADRO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1ncoc1-c1ccc(F)cc1 ZINC000186680232 822935902 /nfs/dbraw/zinc/93/59/02/822935902.db2.gz SPRAQXLUGJLQGN-UHFFFAOYSA-N 1 0 379.435 4.371 20 0 GIADRO C[C@H](NC(=O)NC[C@H](c1cccs1)[NH+](C)C)c1ccccc1C(F)(F)F ZINC000055087576 822936941 /nfs/dbraw/zinc/93/69/41/822936941.db2.gz ZHNHOUGKCADGSY-SWLSCSKDSA-N 1 0 385.455 4.430 20 0 GIADRO C[C@@H](NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccccc1C(F)(F)F ZINC000055087428 822936950 /nfs/dbraw/zinc/93/69/50/822936950.db2.gz OLFLUWIXYPEEJO-RHSMWYFYSA-N 1 0 395.425 4.496 20 0 GIADRO Cc1ccc(-c2cnc(-c3ccccc3C(=O)NCC(C)(C)[NH+](C)C)o2)cc1 ZINC000055082557 822937028 /nfs/dbraw/zinc/93/70/28/822937028.db2.gz HRVBRLIBKIEDGZ-UHFFFAOYSA-N 1 0 377.488 4.387 20 0 GIADRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NCCC[C@H]2CCCCO2)c1 ZINC000186686399 822937164 /nfs/dbraw/zinc/93/71/64/822937164.db2.gz UUJKDGIMQMYKPK-HSZRJFAPSA-N 1 0 380.532 4.398 20 0 GIADRO COc1cc(C[NH2+]Cc2cnc(-c3ccncc3)s2)ccc1OC(F)F ZINC000569541206 822937196 /nfs/dbraw/zinc/93/71/96/822937196.db2.gz NJMSDRKYNOINDQ-UHFFFAOYSA-N 1 0 377.416 4.105 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](C(C)(C)C)C(F)(F)F)[C@H]1c1cccs1 ZINC000569541920 822937437 /nfs/dbraw/zinc/93/74/37/822937437.db2.gz GWPBGGJEJNYMNV-SNPRPXQTSA-N 1 0 391.503 4.407 20 0 GIADRO O=C(c1cc(Cl)cc2cccnc21)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000055095847 822937528 /nfs/dbraw/zinc/93/75/28/822937528.db2.gz VKHLNWQNTHYHNU-UHFFFAOYSA-N 1 0 379.891 4.236 20 0 GIADRO CC(C)Oc1ccccc1[C@H](C)[NH2+][C@H](C)C(=O)NC(=O)Nc1ccccc1F ZINC000055151743 822940934 /nfs/dbraw/zinc/94/09/34/822940934.db2.gz WMTZTBUJLQJRIY-LSDHHAIUSA-N 1 0 387.455 4.000 20 0 GIADRO COc1ccc2c(c1)oc(C(=O)N1C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C1)c2-c1ccccc1 ZINC000569567966 822941125 /nfs/dbraw/zinc/94/11/25/822941125.db2.gz WFSUIAOITOXYRJ-DBVUQKKJSA-N 1 0 390.483 4.308 20 0 GIADRO CC[C@@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1)c1cccc(Cl)c1 ZINC000186705321 822941117 /nfs/dbraw/zinc/94/11/17/822941117.db2.gz BFSQPEUFWGNZBQ-GOSISDBHSA-N 1 0 396.915 4.260 20 0 GIADRO Cc1ccc(NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)c(OCc2ccccc2)c1 ZINC000175357619 822944806 /nfs/dbraw/zinc/94/48/06/822944806.db2.gz XGUAZHOUOYHRRQ-HXUWFJFHSA-N 1 0 377.488 4.052 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)Cc2ccc3c(c2)CCCC3)CC1 ZINC000569614960 822944939 /nfs/dbraw/zinc/94/49/39/822944939.db2.gz SJDHLMIVTGHHOO-LJQANCHMSA-N 1 0 376.544 4.450 20 0 GIADRO CC(C)(Cc1ccc(C(F)(F)F)cc1)C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000457974255 822946569 /nfs/dbraw/zinc/94/65/69/822946569.db2.gz KGKVHWFSUZPVFI-UHFFFAOYSA-N 1 0 375.394 4.238 20 0 GIADRO COc1ccc([C@H](NC(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)c2ccc(F)cc2)cc1 ZINC000457975326 822946706 /nfs/dbraw/zinc/94/67/06/822946706.db2.gz UBLFYSMNBHQKDT-IFMALSPDSA-N 1 0 399.510 4.048 20 0 GIADRO COc1cc(C)c(NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)cc1F ZINC000186742421 822948539 /nfs/dbraw/zinc/94/85/39/822948539.db2.gz XLPQYQOQNNLWQK-UHFFFAOYSA-N 1 0 377.504 4.263 20 0 GIADRO CCc1nc(CC(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)cs1 ZINC000055260459 822948631 /nfs/dbraw/zinc/94/86/31/822948631.db2.gz SDCWCCGHWRHVEQ-IAGOWNOFSA-N 1 0 385.577 4.042 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)Nc2cc(NC(=O)C(C)(C)C)ccc2C)CC1 ZINC000175371630 822949660 /nfs/dbraw/zinc/94/96/60/822949660.db2.gz BWRSHHRCHLYTAD-UHFFFAOYSA-N 1 0 388.556 4.318 20 0 GIADRO O=C(NC1CCCCC1)NC1CC[NH+](C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000569650180 822950230 /nfs/dbraw/zinc/95/02/30/822950230.db2.gz UGZDBKQXRLBOQZ-SNAWJCMRSA-N 1 0 377.479 4.074 20 0 GIADRO CCc1c(NC(=O)[C@@H](CC)[N@H+](C)Cc2ccccc2)cnn1-c1ccccc1 ZINC000569654564 822950802 /nfs/dbraw/zinc/95/08/02/822950802.db2.gz HFMUOBSWOMXTAQ-JOCHJYFZSA-N 1 0 376.504 4.284 20 0 GIADRO Cc1cnc([C@H](C)C[NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)s1 ZINC000186767431 822952100 /nfs/dbraw/zinc/95/21/00/822952100.db2.gz NVFUVPUKGMLYPI-NEPJUHHUSA-N 1 0 396.354 4.324 20 0 GIADRO CC(C)(C)c1cnc(CCC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)o1 ZINC000186799735 822957436 /nfs/dbraw/zinc/95/74/36/822957436.db2.gz UVVDMJZHKFZVIC-UHFFFAOYSA-N 1 0 383.536 4.207 20 0 GIADRO O=C1CCCN1[C@@H]1CCC[C@H]([NH2+][C@@H](c2cc3ccccc3o2)c2cccnc2)C1 ZINC000569709639 822957481 /nfs/dbraw/zinc/95/74/81/822957481.db2.gz GCHVJDPUKULZOK-DCLXLUIPSA-N 1 0 389.499 4.440 20 0 GIADRO C[C@H](CC(=O)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000569720185 822958767 /nfs/dbraw/zinc/95/87/67/822958767.db2.gz BGAKFQJSKNJHTN-WQGACYEGSA-N 1 0 394.384 4.033 20 0 GIADRO C[C@@H]1[C@@H](NC(=O)N2CC[C@H](C(F)(F)F)C2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000569726329 822959364 /nfs/dbraw/zinc/95/93/64/822959364.db2.gz SZMFSEYYARJAKY-PVAVHDDUSA-N 1 0 383.458 4.022 20 0 GIADRO Cc1cnc([C@H](NC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)C2CC2)s1 ZINC000175401295 822959754 /nfs/dbraw/zinc/95/97/54/822959754.db2.gz YITZJOZZOQVSPL-LJQANCHMSA-N 1 0 386.565 4.242 20 0 GIADRO COc1c(F)cc(NC(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1F ZINC000175411647 822962298 /nfs/dbraw/zinc/96/22/98/822962298.db2.gz WMSMUJKYSKOWIX-SJKOYZFVSA-N 1 0 395.475 4.240 20 0 GIADRO CC(C)c1cc(NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)n(-c2ccccc2)n1 ZINC000569746671 822962763 /nfs/dbraw/zinc/96/27/63/822962763.db2.gz AJTSOJGLBVOUBY-IBGZPJMESA-N 1 0 381.524 4.088 20 0 GIADRO COc1cc(C)c(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1F ZINC000186834814 822964160 /nfs/dbraw/zinc/96/41/60/822964160.db2.gz WBNHZXAFBNHNLR-SJLPKXTDSA-N 1 0 385.483 4.317 20 0 GIADRO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CCC(=O)Nc1ccc(Cl)cc1F ZINC000175421045 822964571 /nfs/dbraw/zinc/96/45/71/822964571.db2.gz FHWATEATDPGAGP-SRGMZFCMSA-N 1 0 396.915 4.238 20 0 GIADRO C[C@@H]([NH2+]C[C@H](c1ccccc1)C(F)(F)F)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000186839985 822965344 /nfs/dbraw/zinc/96/53/44/822965344.db2.gz NEIGDGZIHLECSW-IUODEOHRSA-N 1 0 389.414 4.226 20 0 GIADRO CC(C)(C)OC(=O)c1ccc(C[N@@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)cc1 ZINC000569764864 822965494 /nfs/dbraw/zinc/96/54/94/822965494.db2.gz ZSMPVYZRIJZPFI-XMMPIXPASA-N 1 0 399.506 4.208 20 0 GIADRO CCC(CC)(Cc1nc2ccccc2s1)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000458178821 822965639 /nfs/dbraw/zinc/96/56/39/822965639.db2.gz XBTYQRJNTRMKNI-KRWDZBQOSA-N 1 0 387.593 4.493 20 0 GIADRO COc1ccc(C[C@H](C)C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)cc1F ZINC000186845520 822966464 /nfs/dbraw/zinc/96/64/64/822966464.db2.gz KHFZPACWMVPDJA-FXAWDEMLSA-N 1 0 379.516 4.063 20 0 GIADRO COc1cc(C)c(NC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1F ZINC000186847365 822966942 /nfs/dbraw/zinc/96/69/42/822966942.db2.gz AWKVSFWGXZZTKG-KRWDZBQOSA-N 1 0 377.504 4.263 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(-n2cncn2)c(F)c1)c1ccc(Br)cc1 ZINC000055472260 822967819 /nfs/dbraw/zinc/96/78/19/822967819.db2.gz ILIHOJUIEOCLDS-GFCCVEGCSA-N 1 0 375.245 4.020 20 0 GIADRO C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@H+](C)Cc1csc(CC(=O)N(C)C)n1 ZINC000175436227 822968611 /nfs/dbraw/zinc/96/86/11/822968611.db2.gz MLNLZYGSDBUQEJ-KBPBESRZSA-N 1 0 379.957 4.051 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)c1csc(-c2cccs2)n1 ZINC000458207117 822968917 /nfs/dbraw/zinc/96/89/17/822968917.db2.gz VTCSDCDGUDIHEO-UHFFFAOYSA-N 1 0 377.560 4.137 20 0 GIADRO Cc1ccc(-c2nc3c(s2)[C@H]([NH2+]CCCCCS(C)(=O)=O)CCC3)cc1 ZINC000186858983 822969460 /nfs/dbraw/zinc/96/94/60/822969460.db2.gz KFRKEZMTICNSGQ-QGZVFWFLSA-N 1 0 392.590 4.300 20 0 GIADRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)C[C@H]1CCC[C@H]1C ZINC000186860099 822969610 /nfs/dbraw/zinc/96/96/10/822969610.db2.gz HRHSIRPTVDDGEE-DUXKGJEZSA-N 1 0 380.536 4.403 20 0 GIADRO COc1ccccc1Oc1ccc(NC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000569790995 822969806 /nfs/dbraw/zinc/96/98/06/822969806.db2.gz NMVSNQJIOXFJNO-JOCHJYFZSA-N 1 0 381.476 4.095 20 0 GIADRO Cc1cc(NC(=O)c2ccc([C@@H]3CCCOC3)cc2)ccc1OCC[NH+](C)C ZINC000458215727 822969873 /nfs/dbraw/zinc/96/98/73/822969873.db2.gz PJDIONBDJFQXNC-HXUWFJFHSA-N 1 0 382.504 4.082 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]CCCCCS(C)(=O)=O ZINC000186861702 822969933 /nfs/dbraw/zinc/96/99/33/822969933.db2.gz MOJDGTRBGWZPNH-CYBMUJFWSA-N 1 0 384.542 4.123 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)c3cnc(C(C)C)s3)C2)s1 ZINC000569797128 822970325 /nfs/dbraw/zinc/97/03/25/822970325.db2.gz XEGNICUBVAVEMN-HNNXBMFYSA-N 1 0 377.579 4.231 20 0 GIADRO C[C@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)[N@@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000569805101 822971446 /nfs/dbraw/zinc/97/14/46/822971446.db2.gz CULXXQFQMIUXGZ-GHMZBOCLSA-N 1 0 378.263 4.317 20 0 GIADRO CN(C(=O)NCCCCCc1ccccc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458243513 822973346 /nfs/dbraw/zinc/97/33/46/822973346.db2.gz CESDUAFVKHYCQD-UHFFFAOYSA-N 1 0 399.501 4.458 20 0 GIADRO Cc1c(Br)scc1C(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC000186880083 822973603 /nfs/dbraw/zinc/97/36/03/822973603.db2.gz NJMVBHBUNJUXTA-UHFFFAOYSA-N 1 0 397.338 4.320 20 0 GIADRO CC(=O)N1CCC[C@@H](C[NH2+][C@@H]2CCCCc3cc(Br)ccc32)C1 ZINC000569829835 822973705 /nfs/dbraw/zinc/97/37/05/822973705.db2.gz PHYHSQSMSACTAL-HNAYVOBHSA-N 1 0 379.342 4.065 20 0 GIADRO OCC1([C@@H]([NH2+]Cc2ccc(-c3cccc(F)c3)s2)C2CC2)CCOCC1 ZINC000569834355 822974301 /nfs/dbraw/zinc/97/43/01/822974301.db2.gz SCEUPUPTLDAZIA-FQEVSTJZSA-N 1 0 375.509 4.212 20 0 GIADRO Cc1cc(NC(=O)CN(Cc2cccnc2)c2ccccc2)ccc1C[NH+](C)C ZINC000458265137 822975534 /nfs/dbraw/zinc/97/55/34/822975534.db2.gz CFTNKPQAIHWQSG-UHFFFAOYSA-N 1 0 388.515 4.097 20 0 GIADRO COc1cc(C[NH2+][C@@H](C)[C@@H]2COc3ccccc32)cc(OC)c1OCC(F)F ZINC000569847080 822975660 /nfs/dbraw/zinc/97/56/60/822975660.db2.gz WTJQQVJQWJCORZ-BBRMVZONSA-N 1 0 393.430 4.002 20 0 GIADRO Cc1cc(NC(=O)Cc2ccc(Br)c(F)c2)ccc1C[NH+](C)C ZINC000458267213 822975744 /nfs/dbraw/zinc/97/57/44/822975744.db2.gz FJAMCDSGKDRNBA-UHFFFAOYSA-N 1 0 379.273 4.139 20 0 GIADRO CCc1ccc(Cl)c(CC)c1NC(=O)CCC[NH+]1CCC(C)(CO)CC1 ZINC000186910062 822978271 /nfs/dbraw/zinc/97/82/71/822978271.db2.gz OFLVUVFIISIWKM-UHFFFAOYSA-N 1 0 380.960 4.278 20 0 GIADRO CC[C@H](Oc1ccccc1F)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000175480505 822979024 /nfs/dbraw/zinc/97/90/24/822979024.db2.gz VVRMFKHOFVJPOC-LPHOPBHVSA-N 1 0 390.524 4.073 20 0 GIADRO CC[C@@H](NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1)c1nc(C)cs1 ZINC000458303411 822980809 /nfs/dbraw/zinc/98/08/09/822980809.db2.gz ATDPFWFYNWVRCS-VQIMIIECSA-N 1 0 386.565 4.066 20 0 GIADRO CC[C@@H](C)[C@@H]([NH2+]CCc1ccncc1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000569891039 822981129 /nfs/dbraw/zinc/98/11/29/822981129.db2.gz XXOHODAQOVWVQF-HYBUGGRVSA-N 1 0 393.575 4.110 20 0 GIADRO CC[C@H](C)[C@H]([NH2+]CCc1ccncc1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000569891040 822981239 /nfs/dbraw/zinc/98/12/39/822981239.db2.gz XXOHODAQOVWVQF-RDPSFJRHSA-N 1 0 393.575 4.110 20 0 GIADRO Cc1cc(NC(=O)CS[C@@H](C)c2nc3ccccc3[nH]2)ccc1C[NH+](C)C ZINC000458308246 822981242 /nfs/dbraw/zinc/98/12/42/822981242.db2.gz DXAZDCYJCVWYQP-HNNXBMFYSA-N 1 0 382.533 4.366 20 0 GIADRO CC[C@@H](NC(=O)NC[C@H](c1ccc(SC)cc1)[NH+](C)C)c1nc(C)cs1 ZINC000458308490 822981395 /nfs/dbraw/zinc/98/13/95/822981395.db2.gz IJRFMAMIEJYYKM-IAGOWNOFSA-N 1 0 392.594 4.227 20 0 GIADRO COc1ccc2oc([C@H](C)NC(=O)NC(C)(C)CCC[NH+](C)C)c(C)c2c1 ZINC000458323786 822983233 /nfs/dbraw/zinc/98/32/33/822983233.db2.gz QIBXFZFRKIZAET-HNNXBMFYSA-N 1 0 375.513 4.230 20 0 GIADRO CC(C)Sc1ccc([C@H](C)NC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000458331152 822983982 /nfs/dbraw/zinc/98/39/82/822983982.db2.gz ZMMGYLKTBTZFFR-LAUBAEHRSA-N 1 0 375.582 4.375 20 0 GIADRO O=C(Nc1ccccc1)[C@H](Cc1ccccc1)[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000569918633 822985779 /nfs/dbraw/zinc/98/57/79/822985779.db2.gz TYFNYDKGAQANQY-VWNXMTODSA-N 1 0 385.511 4.169 20 0 GIADRO CC(=O)Nc1ccc(C)c(C(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCCC2)c1 ZINC000186956153 822986455 /nfs/dbraw/zinc/98/64/55/822986455.db2.gz PHLZVQYRIBQRGZ-GOSISDBHSA-N 1 0 393.531 4.347 20 0 GIADRO Cc1cccc([C@H](C)NC(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)c1 ZINC000458364191 822987469 /nfs/dbraw/zinc/98/74/69/822987469.db2.gz DQKAZQNMWONPAO-VQTJNVASSA-N 1 0 395.547 4.255 20 0 GIADRO CCn1ccnc1[C@H](C)NC(=O)NCC(CC)(CC)[NH2+][C@H](C)c1ccccc1 ZINC000458365016 822987552 /nfs/dbraw/zinc/98/75/52/822987552.db2.gz FRSVXNAOZAZRQZ-MSOLQXFVSA-N 1 0 385.556 4.173 20 0 GIADRO CN(Cc1ccc(Cl)nc1)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000175515860 822988699 /nfs/dbraw/zinc/98/86/99/822988699.db2.gz MJKVGCNPSVTYTK-MAUKXSAKSA-N 1 0 392.956 4.021 20 0 GIADRO CC(C)[C@@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)NCC(C)(C)C(C)(C)C)c2C1 ZINC000569948674 822988750 /nfs/dbraw/zinc/98/87/50/822988750.db2.gz XIAYNSFGEMPNDQ-MRXNPFEDSA-N 1 0 387.568 4.174 20 0 GIADRO COc1ccc([C@H]([NH2+]CC(=O)N(C)c2nc3ccccc3s2)C2CC2)cc1 ZINC000175518498 822989341 /nfs/dbraw/zinc/98/93/41/822989341.db2.gz GDWYRUGLSWJUHV-HXUWFJFHSA-N 1 0 381.501 4.009 20 0 GIADRO COC(=O)Nc1cc(NC(=O)NC(C)(C)CC[NH+]2CCCCCC2)ccc1F ZINC000186968256 822989346 /nfs/dbraw/zinc/98/93/46/822989346.db2.gz DRYJUYGLHPXTBM-UHFFFAOYSA-N 1 0 394.491 4.170 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCCC[C@@H]2c2cccn2C)CC1 ZINC000175524042 822990622 /nfs/dbraw/zinc/99/06/22/822990622.db2.gz KMHVUDMFLUPAEE-WMZHIEFXSA-N 1 0 394.563 4.487 20 0 GIADRO CCCOc1ccccc1Oc1ncccc1CNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000569966289 822990652 /nfs/dbraw/zinc/99/06/52/822990652.db2.gz QPSAEPKNUJFTKQ-HKUYNNGSSA-N 1 0 397.519 4.187 20 0 GIADRO Cc1ccncc1CCC[NH2+][C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000569969363 822991137 /nfs/dbraw/zinc/99/11/37/822991137.db2.gz XOEJJFDMVHYIQX-FQEVSTJZSA-N 1 0 377.454 4.206 20 0 GIADRO CCc1nc([C@H](C)NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cs1 ZINC000175527140 822991253 /nfs/dbraw/zinc/99/12/53/822991253.db2.gz WVLDMMBEYBEPKW-RYRKJORJSA-N 1 0 386.565 4.119 20 0 GIADRO COc1ccc([C@@H](Cc2ccccc2)[NH2+]Cc2cc(=O)n3cccc(C)c3n2)cc1 ZINC000569973021 822991728 /nfs/dbraw/zinc/99/17/28/822991728.db2.gz TUDWYRDYSXTYQD-HSZRJFAPSA-N 1 0 399.494 4.085 20 0 GIADRO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]C[C@@]1(C)OCCc2sccc21 ZINC000569973636 822991863 /nfs/dbraw/zinc/99/18/63/822991863.db2.gz KXVHMKUMVDBEFB-JOCHJYFZSA-N 1 0 381.545 4.187 20 0 GIADRO Cc1nc(CCCC(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)cs1 ZINC000175532007 822992116 /nfs/dbraw/zinc/99/21/16/822992116.db2.gz JIURMXVFBWQEEC-QGZVFWFLSA-N 1 0 385.577 4.465 20 0 GIADRO Cc1nc(CCCC(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)cs1 ZINC000175531992 822992186 /nfs/dbraw/zinc/99/21/86/822992186.db2.gz JIURMXVFBWQEEC-KRWDZBQOSA-N 1 0 385.577 4.465 20 0 GIADRO O=C(c1ccc(F)cc1)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000175534930 822992793 /nfs/dbraw/zinc/99/27/93/822992793.db2.gz FCUIFVBUPKRZSL-KRWDZBQOSA-N 1 0 394.412 4.352 20 0 GIADRO C[C@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000175537489 822993201 /nfs/dbraw/zinc/99/32/01/822993201.db2.gz GYFPQJZNLQTEHI-AWEZNQCLSA-N 1 0 383.458 4.473 20 0 GIADRO CN(Cc1coc(-c2ccc(Br)cc2)n1)CC1([NH+](C)C)CCC1 ZINC000186990179 822993278 /nfs/dbraw/zinc/99/32/78/822993278.db2.gz KOPWZIWUACMRLX-UHFFFAOYSA-N 1 0 378.314 4.020 20 0 GIADRO Cc1cccn2cc(COc3ccc(C[N@@H+]4CC[C@H](O)C45CCCC5)cc3)nc12 ZINC000569994886 822994411 /nfs/dbraw/zinc/99/44/11/822994411.db2.gz UVVMMXBZJMGTGY-QFIPXVFZSA-N 1 0 391.515 4.101 20 0 GIADRO CC(=O)c1ccc(OC[C@@H](O)C[NH2+]CC2(c3cccc(F)c3)CCCCC2)cc1 ZINC000569995172 822994435 /nfs/dbraw/zinc/99/44/35/822994435.db2.gz IRQGFAZPHHDTPQ-QFIPXVFZSA-N 1 0 399.506 4.260 20 0 GIADRO O=C(COc1ccc(Cl)cc1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000569994890 822994455 /nfs/dbraw/zinc/99/44/55/822994455.db2.gz VRKJQYPRFUSRKQ-UHFFFAOYSA-N 1 0 398.934 4.234 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCC1)N1Cc2ccccc2C2(CC2)C1 ZINC000187003697 822995773 /nfs/dbraw/zinc/99/57/73/822995773.db2.gz JROSQMJYOSBGDC-UHFFFAOYSA-N 1 0 375.516 4.039 20 0 GIADRO Cc1nc([C@H]2CCCN2C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cs1 ZINC000187019949 822998590 /nfs/dbraw/zinc/99/85/90/822998590.db2.gz OYCDASKPDXEFPI-OZOXKJRCSA-N 1 0 398.576 4.351 20 0 GIADRO Clc1cc(Br)cc2c1CC[C@H]2[NH2+]Cc1cnc2n1CCCC2 ZINC000570031742 822999191 /nfs/dbraw/zinc/99/91/91/822999191.db2.gz NVHVIARTALYDJB-MRXNPFEDSA-N 1 0 380.717 4.412 20 0 GIADRO O=C(Nc1ccc(OC2CCCC2)c(Cl)c1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000175573921 823000431 /nfs/dbraw/zinc/00/04/31/823000431.db2.gz ZXEYWECBALKMAG-MRXNPFEDSA-N 1 0 375.900 4.139 20 0 GIADRO COc1cccc(C[NH2+][C@H](C)c2cc(Br)cc(C)c2O)c1OC ZINC000187030078 823000766 /nfs/dbraw/zinc/00/07/66/823000766.db2.gz STNJVEJXCOLDKL-GFCCVEGCSA-N 1 0 380.282 4.331 20 0 GIADRO Cc1ccc([C@H](CNC(=O)CCc2ncc(C(C)(C)C)o2)[NH+]2CCCC2)cc1 ZINC000187045584 823003165 /nfs/dbraw/zinc/00/31/65/823003165.db2.gz PBVHPUFCTPOFIK-IBGZPJMESA-N 1 0 383.536 4.166 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+]Cc2nnc(-c3ccc(Br)o3)o2)C1(CC)CC ZINC000187053428 823004162 /nfs/dbraw/zinc/00/41/62/823004162.db2.gz KXNLZVPASURATN-QWHCGFSZSA-N 1 0 398.301 4.166 20 0 GIADRO Cc1ccccc1[C@H](OC[C@H](O)C[NH2+]Cc1ccn(C(C)C)n1)c1ccccc1 ZINC000570081990 823004312 /nfs/dbraw/zinc/00/43/12/823004312.db2.gz CDWBJHPMVHRLEL-ISKFKSNPSA-N 1 0 393.531 4.029 20 0 GIADRO C/C(=C\c1ccccc1OC(F)F)C[NH2+][C@@H]1CCC[C@@H](C(=O)NC(C)C)C1 ZINC000570087952 823004682 /nfs/dbraw/zinc/00/46/82/823004682.db2.gz IVNJOBPGZYKBNP-BHDPTXKXSA-N 1 0 380.479 4.364 20 0 GIADRO C[C@H]([NH2+][C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1)c1nnc(-c2cccs2)o1 ZINC000570086663 823004761 /nfs/dbraw/zinc/00/47/61/823004761.db2.gz BOFBWUOURINVEO-KCTSRDHCSA-N 1 0 390.459 4.172 20 0 GIADRO Clc1ccccc1-c1csc(CN2CC[NH+](CC3CCOCC3)CC2)n1 ZINC000187059316 823005027 /nfs/dbraw/zinc/00/50/27/823005027.db2.gz XMCLIBZMLPCFHZ-UHFFFAOYSA-N 1 0 391.968 4.008 20 0 GIADRO CN(C(=O)c1nc2ccccc2cc1Cl)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000570092627 823005109 /nfs/dbraw/zinc/00/51/09/823005109.db2.gz VUJYNYILYSEBBJ-GOSISDBHSA-N 1 0 379.891 4.235 20 0 GIADRO Cc1cc(C[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)c(C)s1 ZINC000570108924 823006301 /nfs/dbraw/zinc/00/63/01/823006301.db2.gz GNWMXDSBCODFNZ-WIYYLYMNSA-N 1 0 380.517 4.364 20 0 GIADRO CC(C)(C)[C@@H]1C[C@@H]([NH2+]CCCS(=O)(=O)c2ccc(Cl)cc2)CS1 ZINC000570113460 823006900 /nfs/dbraw/zinc/00/69/00/823006900.db2.gz NKVGENCEJIHDDW-ZBFHGGJFSA-N 1 0 375.987 4.014 20 0 GIADRO Cc1ncc(NC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)c(C2CC2)n1 ZINC000570119970 823007487 /nfs/dbraw/zinc/00/74/87/823007487.db2.gz CPNIMIOUNFEVHT-LJQANCHMSA-N 1 0 399.926 4.274 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCc2coc(-c3ccccc3)n2)C1 ZINC000175617883 823007557 /nfs/dbraw/zinc/00/75/57/823007557.db2.gz GHTXTRMFRBUPOY-MOPGFXCFSA-N 1 0 396.535 4.138 20 0 GIADRO COc1ccc([C@H](CNC(=O)N([C@H](C)c2ccco2)C2CC2)[NH+]2CCCC2)cc1 ZINC000175620376 823007974 /nfs/dbraw/zinc/00/79/74/823007974.db2.gz JNNRHZDQFQANCD-UTKZUKDTSA-N 1 0 397.519 4.360 20 0 GIADRO CC[C@@H](Oc1ccccc1F)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000175620934 823008117 /nfs/dbraw/zinc/00/81/17/823008117.db2.gz FDIWJHMLSSPKCN-RKKYOWQMSA-N 1 0 396.506 4.295 20 0 GIADRO C[C@H]([NH2+][C@H](c1cc2ccccc2o1)c1ccccc1)C1CCS(=O)(=O)CC1 ZINC000187085592 823008563 /nfs/dbraw/zinc/00/85/63/823008563.db2.gz UZEUHAQBHXRRLU-AOMKIAJQSA-N 1 0 383.513 4.325 20 0 GIADRO CSc1ccc(-c2nsc(NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)n2)cc1 ZINC000570131018 823008661 /nfs/dbraw/zinc/00/86/61/823008661.db2.gz WATDQCTXIFBUSZ-GFCCVEGCSA-N 1 0 393.582 4.025 20 0 GIADRO C[C@H](C[NH2+][C@@H](C)c1ncc(Br)cc1F)N1CCc2sccc2C1 ZINC000187086312 823008731 /nfs/dbraw/zinc/00/87/31/823008731.db2.gz HACPWDFRVYDPHO-NEPJUHHUSA-N 1 0 398.345 4.142 20 0 GIADRO Cc1ccc2ncc(C[NH2+]CCc3c[nH]c4cccc(Br)c34)n2c1 ZINC000570131115 823008739 /nfs/dbraw/zinc/00/87/39/823008739.db2.gz AKRZTGPYXAIDAI-UHFFFAOYSA-N 1 0 383.293 4.219 20 0 GIADRO Cc1nc(C)c([C@@H](C)N(C)C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)s1 ZINC000175631125 823009842 /nfs/dbraw/zinc/00/98/42/823009842.db2.gz ZPVVVPNIFXTPJL-DOTOQJQBSA-N 1 0 388.581 4.373 20 0 GIADRO CC1CCN([C@@H](C[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)c2cccs2)CC1 ZINC000187093744 823009982 /nfs/dbraw/zinc/00/99/82/823009982.db2.gz UTVQGOGNTQXDEZ-NRFANRHFSA-N 1 0 397.588 4.220 20 0 GIADRO CC(C)(C[NH2+][C@H](C(N)=O)c1ccc(Br)cc1)c1ccccc1Cl ZINC000570149874 823010554 /nfs/dbraw/zinc/01/05/54/823010554.db2.gz VDSHBZDDXLSAII-INIZCTEOSA-N 1 0 395.728 4.196 20 0 GIADRO C[C@@H](NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1cccc(OC(F)(F)F)c1 ZINC000175636114 823010649 /nfs/dbraw/zinc/01/06/49/823010649.db2.gz FEWIJDFJKPXPRQ-WBVHZDCISA-N 1 0 399.457 4.306 20 0 GIADRO Cc1cc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)ccc1Oc1cccnc1 ZINC000175637029 823010793 /nfs/dbraw/zinc/01/07/93/823010793.db2.gz RRGRXACXIJQDJA-YQQQUEKLSA-N 1 0 380.492 4.319 20 0 GIADRO CC(C)(NCc1csc(CNC(=O)c2ccccc2)n1)c1ccc(F)cc1 ZINC000175638739 823010941 /nfs/dbraw/zinc/01/09/41/823010941.db2.gz DMBDWTDDECKUCC-UHFFFAOYSA-N 1 0 383.492 4.237 20 0 GIADRO COc1ccccc1C(C)(C)NCc1csc(CNC(=O)c2ccccc2)n1 ZINC000175638803 823011007 /nfs/dbraw/zinc/01/10/07/823011007.db2.gz GURGJBWVCGAOEH-UHFFFAOYSA-N 1 0 395.528 4.107 20 0 GIADRO COc1cc(NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)ccc1F ZINC000187108134 823011457 /nfs/dbraw/zinc/01/14/57/823011457.db2.gz UJNMOCBEGLLNDC-QFBILLFUSA-N 1 0 385.483 4.351 20 0 GIADRO CCCOc1ccc(C[NH2+][C@H](Cc2ccncc2)c2ccc(OC)cc2)cn1 ZINC000570183727 823012993 /nfs/dbraw/zinc/01/29/93/823012993.db2.gz QBIGHCWGSHGTSB-JOCHJYFZSA-N 1 0 377.488 4.348 20 0 GIADRO C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]Cc1ccncc1OCc1ccccc1 ZINC000570189530 823013652 /nfs/dbraw/zinc/01/36/52/823013652.db2.gz VYACVOZKXHLHKD-LJQANCHMSA-N 1 0 389.499 4.192 20 0 GIADRO C[C@H]([NH2+][C@H](Cc1cccc(F)c1)c1cccc(F)c1)C1CCS(=O)(=O)CC1 ZINC000187121515 823013771 /nfs/dbraw/zinc/01/37/71/823013771.db2.gz PMYHTIFIFWMTRV-YCRPNKLZSA-N 1 0 393.499 4.052 20 0 GIADRO Cc1nc2ccccc2c(C)c1CC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000175656732 823013984 /nfs/dbraw/zinc/01/39/84/823013984.db2.gz VIMPZYMVBVXHRY-UHFFFAOYSA-N 1 0 381.545 4.046 20 0 GIADRO Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2COc3ccc(F)cc3C2)c(Cl)c1 ZINC000570196701 823014161 /nfs/dbraw/zinc/01/41/61/823014161.db2.gz CPGNOFGSXNIPFA-BBRMVZONSA-N 1 0 376.859 4.098 20 0 GIADRO COc1cccc(OC)c1OCCCC[NH2+]C1(c2nc(C)cs2)CCC1 ZINC000570197024 823014379 /nfs/dbraw/zinc/01/43/79/823014379.db2.gz OPKROBPTNGTNCI-UHFFFAOYSA-N 1 0 376.522 4.297 20 0 GIADRO CC(C)CCOc1cccc(NC(=O)NC2CC[NH+](CCOC(C)C)CC2)c1 ZINC000175660811 823014893 /nfs/dbraw/zinc/01/48/93/823014893.db2.gz LVFMQZPDWDTNGG-UHFFFAOYSA-N 1 0 391.556 4.122 20 0 GIADRO CC(=O)N(c1nc(CN2CCC[C@@H]([NH+](C)C)C2)cs1)c1ccc(Cl)cc1 ZINC000175664524 823015663 /nfs/dbraw/zinc/01/56/63/823015663.db2.gz CFSCPAGPLHAWHH-GOSISDBHSA-N 1 0 392.956 4.007 20 0 GIADRO Cc1ccc(-c2nc(CC(=O)N[C@H](CCC[NH3+])c3ccccc3)cs2)cc1 ZINC000570211454 823015781 /nfs/dbraw/zinc/01/57/81/823015781.db2.gz DVOFVPYVINVPKY-HXUWFJFHSA-N 1 0 379.529 4.257 20 0 GIADRO COc1ccc(Cl)c(NC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000175667457 823016360 /nfs/dbraw/zinc/01/63/60/823016360.db2.gz VVCXDICLWQMAQI-QGZVFWFLSA-N 1 0 387.911 4.334 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)CCCN3C)C1 ZINC000175673892 823017650 /nfs/dbraw/zinc/01/76/50/823017650.db2.gz CQGVVRORVSKHRX-MOPGFXCFSA-N 1 0 384.568 4.187 20 0 GIADRO Cc1cc(Br)cc([C@H](C)[NH2+]Cc2ccc3c(c2)OCCCO3)c1O ZINC000187149214 823017913 /nfs/dbraw/zinc/01/79/13/823017913.db2.gz QTZKMZUOJVXPMR-ZDUSSCGKSA-N 1 0 392.293 4.475 20 0 GIADRO CSc1ccc([C@@H](CNC(=O)c2ccc(NC(=O)C(C)C)cc2)[NH+](C)C)cc1 ZINC000570240723 823017898 /nfs/dbraw/zinc/01/78/98/823017898.db2.gz USMJJTHBBQTMNH-HXUWFJFHSA-N 1 0 399.560 4.036 20 0 GIADRO COc1ccc(C[C@@H](C)C[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)cc1F ZINC000187159120 823018919 /nfs/dbraw/zinc/01/89/19/823018919.db2.gz CHALHLKUZBNLBH-HZPDHXFCSA-N 1 0 386.467 4.320 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCC(=O)N2C)c1ccc(OCC(F)(F)F)cc1 ZINC000187162817 823019483 /nfs/dbraw/zinc/01/94/83/823019483.db2.gz SYNIOQITESIMSF-CQSZACIVSA-N 1 0 392.421 4.388 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)c2c[nH]nc2-c2ccsc2)CC[N@@H+]1Cc1ccccc1 ZINC000187162791 823019529 /nfs/dbraw/zinc/01/95/29/823019529.db2.gz PQFXIDYBRSJFNR-QFBILLFUSA-N 1 0 394.544 4.263 20 0 GIADRO C[C@@H](CCNC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[N@H+](C)Cc1ccccc1 ZINC000175683922 823019880 /nfs/dbraw/zinc/01/98/80/823019880.db2.gz WYXAXCOGISQGEC-KRWDZBQOSA-N 1 0 394.519 4.067 20 0 GIADRO CN1C(=O)CCc2cc(C[NH2+][C@@H]3CCCc4cc(OC(F)F)ccc43)ccc21 ZINC000187173971 823020773 /nfs/dbraw/zinc/02/07/73/823020773.db2.gz OUJZSYDZQMDESR-LJQANCHMSA-N 1 0 386.442 4.364 20 0 GIADRO C[C@H](NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1)[C@@H](c1ccccc1)[NH+](C)C ZINC000187174706 823020951 /nfs/dbraw/zinc/02/09/51/823020951.db2.gz SLLSNSYXCQXTIW-BTYIYWSLSA-N 1 0 397.906 4.345 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)Nc2cccc(COCCc3ccccc3)c2)CC[N@@H+]1C ZINC000175690013 823021051 /nfs/dbraw/zinc/02/10/51/823021051.db2.gz QNPAPYSPYONXQR-AUSIDOKSSA-N 1 0 395.547 4.392 20 0 GIADRO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2cccc(COCCc3ccccc3)c2)C1 ZINC000175690547 823021199 /nfs/dbraw/zinc/02/11/99/823021199.db2.gz PBPNEAJEBGFJMF-HSZRJFAPSA-N 1 0 395.547 4.394 20 0 GIADRO COc1ccc(C[C@H](C)[NH2+][C@H](C)c2ncc(Br)cc2F)cc1OC ZINC000187181538 823021822 /nfs/dbraw/zinc/02/18/22/823021822.db2.gz MGPJXUQHVIBRPL-NWDGAFQWSA-N 1 0 397.288 4.282 20 0 GIADRO Cc1ccc(-n2cc(C(=O)N(C)[C@@H](C)C3CC[NH+](C)CC3)c(C(C)(C)C)n2)cc1 ZINC000570282712 823022136 /nfs/dbraw/zinc/02/21/36/823022136.db2.gz NJDDFIUGCLBMMA-SFHVURJKSA-N 1 0 396.579 4.281 20 0 GIADRO CC[C@@H](c1cccc(OC)c1)[N@H+](C)CC(=O)Nc1ccnn1Cc1cccs1 ZINC000570284722 823022248 /nfs/dbraw/zinc/02/22/48/823022248.db2.gz KQBOITMEBFNFAD-IBGZPJMESA-N 1 0 398.532 4.023 20 0 GIADRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@H](CCC(=O)OC)c2ccccc2)c2ccccc21 ZINC000570286480 823022424 /nfs/dbraw/zinc/02/24/24/823022424.db2.gz UZJQUIGQDVYXPF-YPAWHYETSA-N 1 0 395.499 4.452 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000187194735 823023334 /nfs/dbraw/zinc/02/33/34/823023334.db2.gz PAPATVSSOTVMBR-QGZVFWFLSA-N 1 0 392.421 4.283 20 0 GIADRO CCc1cnc(CN(C)C(=O)Nc2ccc(OCC[NH+](CC)CC)cc2)s1 ZINC000175702036 823023435 /nfs/dbraw/zinc/02/34/35/823023435.db2.gz WRVUYLPICUMEQS-UHFFFAOYSA-N 1 0 390.553 4.090 20 0 GIADRO C[C@@H](NC(=O)c1ccc(-c2nc(C3CC3)no2)cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000187201911 823024260 /nfs/dbraw/zinc/02/42/60/823024260.db2.gz NQFRQRVCTXJMFG-FOIQADDNSA-N 1 0 390.487 4.035 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]Cc2ccc3[nH]c(C)cc3c2)c1 ZINC000570309583 823024382 /nfs/dbraw/zinc/02/43/82/823024382.db2.gz IQHZFDZLFLBDJB-AWEZNQCLSA-N 1 0 381.476 4.000 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCCN(c2ccccc2)C1)c1ncc(Br)cc1F ZINC000187208520 823025202 /nfs/dbraw/zinc/02/52/02/823025202.db2.gz BUQWHWPATDFBMR-HIFRSBDPSA-N 1 0 378.289 4.303 20 0 GIADRO CC(C)OCC[NH+]1CCC(NC(=O)Nc2cccc(Cl)c2OC(C)C)CC1 ZINC000175712784 823025434 /nfs/dbraw/zinc/02/54/34/823025434.db2.gz AQIZSJZAMWJGFP-UHFFFAOYSA-N 1 0 397.947 4.138 20 0 GIADRO C[C@@H]([NH2+]C[C@@]1(C)OCCc2sccc21)c1ccc(NC(=O)NC2CC2)cc1 ZINC000570323096 823025702 /nfs/dbraw/zinc/02/57/02/823025702.db2.gz LCNNTVAYRULODV-SPLOXXLWSA-N 1 0 385.533 4.171 20 0 GIADRO CC(=O)Nc1cc(NC(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)ccc1C ZINC000175724987 823027439 /nfs/dbraw/zinc/02/74/39/823027439.db2.gz HYJYUHIYCALDLC-NRFANRHFSA-N 1 0 394.519 4.082 20 0 GIADRO COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@H](CO)c2cccc(Br)c2)cc1 ZINC000570349836 823027926 /nfs/dbraw/zinc/02/79/26/823027926.db2.gz XTLVGVMFSPIRPM-BBLUDWJGSA-N 1 0 390.321 4.273 20 0 GIADRO C[C@H](NC(=O)c1cccc(Oc2ccncc2)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000187230258 823028082 /nfs/dbraw/zinc/02/80/82/823028082.db2.gz QRBGPXOUKURYJQ-HTAPYJJXSA-N 1 0 375.472 4.295 20 0 GIADRO O=C(NC[C@@H](c1ccccc1)C(F)(F)F)NC1CC[NH+](C2CCCCC2)CC1 ZINC000187233062 823028402 /nfs/dbraw/zinc/02/84/02/823028402.db2.gz HMBBIQRSRPXBTG-IBGZPJMESA-N 1 0 397.485 4.429 20 0 GIADRO C[C@@H](NC(=O)c1ccc(F)cc1Br)[C@@H](c1ccccc1)[NH+](C)C ZINC000187237634 823028834 /nfs/dbraw/zinc/02/88/34/823028834.db2.gz RLBKPLLUCVBMEA-PXAZEXFGSA-N 1 0 379.273 4.009 20 0 GIADRO C[C@H](NC(=O)c1ccc(F)cc1Br)[C@@H](c1ccccc1)[NH+](C)C ZINC000187237618 823028892 /nfs/dbraw/zinc/02/88/92/823028892.db2.gz RLBKPLLUCVBMEA-SJCJKPOMSA-N 1 0 379.273 4.009 20 0 GIADRO CN(Cc1ccccc1)c1ccccc1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000175733927 823028981 /nfs/dbraw/zinc/02/89/81/823028981.db2.gz VJSZCWHACPRBCZ-SEJPIABJSA-N 1 0 392.547 4.460 20 0 GIADRO C[C@@H](NC(=O)Cc1csc(-c2cccc(F)c2)n1)[C@H](c1ccccc1)[NH+](C)C ZINC000187239286 823029165 /nfs/dbraw/zinc/02/91/65/823029165.db2.gz FVNUIUGNMAGEKV-QVKFZJNVSA-N 1 0 397.519 4.299 20 0 GIADRO CC(C)Oc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccco2)c(Cl)c1 ZINC000187240136 823029174 /nfs/dbraw/zinc/02/91/74/823029174.db2.gz KNDZTGUDJWHHFD-UHFFFAOYSA-N 1 0 379.888 4.316 20 0 GIADRO Cc1ccc(N2CCC([NH2+][C@@H](C)c3ncc(Br)cc3F)CC2)nc1 ZINC000187242817 823029433 /nfs/dbraw/zinc/02/94/33/823029433.db2.gz LKDUHDNEMKFSMV-ZDUSSCGKSA-N 1 0 393.304 4.006 20 0 GIADRO CCO[C@@H]1C[C@]([NH3+])(C(=O)Nc2nc(-c3ccc(SC)cc3)cs2)C1(C)C ZINC000187248654 823030190 /nfs/dbraw/zinc/03/01/90/823030190.db2.gz DTIJLXCGWUGUTC-BEFAXECRSA-N 1 0 391.562 4.003 20 0 GIADRO Cc1ccc(S(=O)(=O)N(c2cccc(F)c2)C2CC[NH+](C)CC2)cc1Cl ZINC000570370046 823030432 /nfs/dbraw/zinc/03/04/32/823030432.db2.gz FJJXVRWRAIMVHQ-UHFFFAOYSA-N 1 0 396.915 4.077 20 0 GIADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]C[C@H]1CCCO[C@@H]1C(C)(C)C ZINC000187250230 823030495 /nfs/dbraw/zinc/03/04/95/823030495.db2.gz MZZUHLRWKIUJLQ-QAPCUYQASA-N 1 0 387.973 4.065 20 0 GIADRO CCOc1ccccc1C[N@H+](CCCn1ccnc1)Cc1ccc(C)nc1C ZINC000187251922 823030837 /nfs/dbraw/zinc/03/08/37/823030837.db2.gz KDIKVYQTUQNJDH-UHFFFAOYSA-N 1 0 378.520 4.386 20 0 GIADRO CC[C@@H](C)n1ncc(NC(=O)NC[C@H](C(C)C)[N@@H+]2CCc3ccccc3C2)c1C ZINC000570378755 823031593 /nfs/dbraw/zinc/03/15/93/823031593.db2.gz YSKLNQIAHZSTGD-VGOFRKELSA-N 1 0 397.567 4.367 20 0 GIADRO CC[C@@H](C)n1c2ccc(NC(=O)NC[C@H]3CCC[NH2+]C3)cc2nc1C(F)(F)F ZINC000570380903 823031645 /nfs/dbraw/zinc/03/16/45/823031645.db2.gz QTLFRGNHLNKQSE-OLZOCXBDSA-N 1 0 397.445 4.147 20 0 GIADRO COc1ccccc1O[C@H](C)C[NH2+][C@H](C)c1ncc(Br)cc1F ZINC000187259819 823031992 /nfs/dbraw/zinc/03/19/92/823031992.db2.gz FENBICWUTQGJSG-VXGBXAGGSA-N 1 0 383.261 4.110 20 0 GIADRO C[C@@H]([NH2+][C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)C1CCSCC1 ZINC000187261778 823032427 /nfs/dbraw/zinc/03/24/27/823032427.db2.gz MPDXFMYUBMRDGO-IIBYNOLFSA-N 1 0 389.586 4.301 20 0 GIADRO CCn1ncc2ccc(NC(=O)N(C)C[C@H]3CC[N@H+](Cc4ccccc4)C3)cc21 ZINC000175757643 823032883 /nfs/dbraw/zinc/03/28/83/823032883.db2.gz ZYBIQSWGBBJRBS-LJQANCHMSA-N 1 0 391.519 4.042 20 0 GIADRO CCC[N@H+](CC)CCNC(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 ZINC000175758584 823032989 /nfs/dbraw/zinc/03/29/89/823032989.db2.gz YLVQADHBSOZEGC-UHFFFAOYSA-N 1 0 392.887 4.039 20 0 GIADRO CCn1ncc2ccc(NC(=O)NC[C@H]3CCC[N@H+](C)[C@@H]3c3cccs3)cc21 ZINC000175759784 823033199 /nfs/dbraw/zinc/03/31/99/823033199.db2.gz ROANDKORDLTACS-UZLBHIALSA-N 1 0 397.548 4.322 20 0 GIADRO CCn1ncc2ccc(NC(=O)NC[C@@H]3CCC[N@H+](C)[C@@H]3c3cccs3)cc21 ZINC000175759763 823033217 /nfs/dbraw/zinc/03/32/17/823033217.db2.gz ROANDKORDLTACS-JXFKEZNVSA-N 1 0 397.548 4.322 20 0 GIADRO COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]CCc2nc(C(F)(F)F)cs2)C1 ZINC000570415086 823034620 /nfs/dbraw/zinc/03/46/20/823034620.db2.gz ZRSVNZNRRSXEBO-QWHCGFSZSA-N 1 0 378.460 4.196 20 0 GIADRO COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]CCc2nc(C(F)(F)F)cs2)C1 ZINC000570415087 823034693 /nfs/dbraw/zinc/03/46/93/823034693.db2.gz ZRSVNZNRRSXEBO-STQMWFEESA-N 1 0 378.460 4.196 20 0 GIADRO C[C@H](NC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1)c1cncc(F)c1 ZINC000458382588 823034771 /nfs/dbraw/zinc/03/47/71/823034771.db2.gz YAKJBXOCLWBRDB-IRXDYDNUSA-N 1 0 384.499 4.245 20 0 GIADRO C[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccccc2Br)c2ccccc21 ZINC000570430395 823037075 /nfs/dbraw/zinc/03/70/75/823037075.db2.gz MQSQWQUVPVOMFF-LBTNJELSSA-N 1 0 376.294 4.027 20 0 GIADRO Cc1cnc(CNC(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)s1 ZINC000175778800 823038211 /nfs/dbraw/zinc/03/82/11/823038211.db2.gz RAGAUUTZZAXVKS-UHFFFAOYSA-N 1 0 386.565 4.215 20 0 GIADRO COc1ccc([C@H]([NH2+]CCC(C)(C)C)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000187295559 823038466 /nfs/dbraw/zinc/03/84/66/823038466.db2.gz YHKUNLDFNQXQJG-FQEVSTJZSA-N 1 0 375.534 4.214 20 0 GIADRO Fc1ccccc1OC[C@H]([NH2+]Cc1ccc(-n2ccnc2)nc1)c1ccccc1 ZINC000175781406 823038973 /nfs/dbraw/zinc/03/89/73/823038973.db2.gz VGBKTSRSJOBRQQ-NRFANRHFSA-N 1 0 388.446 4.316 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)C2(c3cc(C(F)(F)F)ccc3Cl)CC2)CC[N@@H+]1C ZINC000187299011 823039467 /nfs/dbraw/zinc/03/94/67/823039467.db2.gz NIMOBAFOBZEBJD-GXTWGEPZSA-N 1 0 388.861 4.332 20 0 GIADRO CC(C)Cc1ccc(C(=O)C2CCN(C(=O)C[C@H]3CCCC[C@H]3[NH3+])CC2)cc1 ZINC000570447414 823039720 /nfs/dbraw/zinc/03/97/20/823039720.db2.gz SIRJLSOITLZJKL-FGZHOGPDSA-N 1 0 384.564 4.214 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2C[C@H]2c2ccccc2F)[C@H]1c1cccs1 ZINC000458443097 823041047 /nfs/dbraw/zinc/04/10/47/823041047.db2.gz WZGJYBWZHDMIOY-CAUGKJMWSA-N 1 0 387.524 4.125 20 0 GIADRO Cc1cnc([C@@H](NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)C2CC2)s1 ZINC000458452071 823042243 /nfs/dbraw/zinc/04/22/43/823042243.db2.gz HJWDUJJPUZLQGQ-JXFKEZNVSA-N 1 0 398.576 4.066 20 0 GIADRO COc1cccc(-c2nc(C[N@H+](C)CC3(O)CCCCCC3)cs2)c1OC ZINC000187315711 823042333 /nfs/dbraw/zinc/04/23/33/823042333.db2.gz IUAUVERQDGNOME-UHFFFAOYSA-N 1 0 390.549 4.344 20 0 GIADRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1c(F)cccc1Br ZINC000175796619 823042432 /nfs/dbraw/zinc/04/24/32/823042432.db2.gz VVFMLVFOIGORAP-KRWDZBQOSA-N 1 0 391.284 4.155 20 0 GIADRO OCCC1(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)CCCCC1 ZINC000175801000 823043561 /nfs/dbraw/zinc/04/35/61/823043561.db2.gz GOSWCLRKHUHDNP-UHFFFAOYSA-N 1 0 390.531 4.357 20 0 GIADRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@H]1C[C@]12CCc1ccccc12 ZINC000175803605 823044169 /nfs/dbraw/zinc/04/41/69/823044169.db2.gz MQXYYWZGHQVNTR-URXFXBBRSA-N 1 0 392.568 4.386 20 0 GIADRO CC[NH2+]Cc1cccc(NC(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)c1 ZINC000123801432 823541902 /nfs/dbraw/zinc/54/19/02/823541902.db2.gz RMVZXBBPXDYSAM-UHFFFAOYSA-N 1 0 396.441 4.001 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)/C=C/c1ccccc1OC(F)(F)F ZINC000060566654 823542983 /nfs/dbraw/zinc/54/29/83/823542983.db2.gz WKHHWPPZGOEEHO-PCUGXKRQSA-N 1 0 384.442 4.369 20 0 GIADRO C[C@H](NC(=O)CN1CC[NH+](CC2CCCCC2)CC1)c1cccc2ccccc21 ZINC000060569217 823543392 /nfs/dbraw/zinc/54/33/92/823543392.db2.gz LSOBTEBQVRODHC-FQEVSTJZSA-N 1 0 393.575 4.215 20 0 GIADRO Cc1c([C@@H](C)[NH2+]Cc2cccnc2-n2cccn2)cnn1-c1cccc(Cl)c1 ZINC000177902265 823544015 /nfs/dbraw/zinc/54/40/15/823544015.db2.gz ONKJABIWIFFQQK-OAHLLOKOSA-N 1 0 392.894 4.266 20 0 GIADRO C[C@H]([NH2+]CCOc1ccc(C(F)(F)F)cc1)c1ccc(-n2cncn2)cc1 ZINC000177903590 823544129 /nfs/dbraw/zinc/54/41/29/823544129.db2.gz SHZCWFKRPVTWBS-AWEZNQCLSA-N 1 0 376.382 4.016 20 0 GIADRO COc1cccc(C[C@@H]([NH2+]Cc2cccnc2-n2cccn2)c2ccccc2)c1 ZINC000177903531 823544134 /nfs/dbraw/zinc/54/41/34/823544134.db2.gz VTTOCIXDADOFMV-HSZRJFAPSA-N 1 0 384.483 4.350 20 0 GIADRO CC1CC[NH+](CCCCNC(=O)/C=C/c2ccccc2OC(F)(F)F)CC1 ZINC000060577596 823544344 /nfs/dbraw/zinc/54/43/44/823544344.db2.gz ISLLGWRITONXRZ-CMDGGOBGSA-N 1 0 384.442 4.227 20 0 GIADRO Brc1ccc2c(c1)[C@@H]([NH2+]Cc1cccnc1-n1ccnc1)CCCO2 ZINC000177908673 823544954 /nfs/dbraw/zinc/54/49/54/823544954.db2.gz LMMBHHLXNYHKNB-KRWDZBQOSA-N 1 0 399.292 4.033 20 0 GIADRO CC(=O)Nc1cccc2c1CC[N@H+](CCCC(=O)Nc1c(C)cc(C)cc1C)C2 ZINC000177909500 823545075 /nfs/dbraw/zinc/54/50/75/823545075.db2.gz DJPAEZBQZBLWNR-UHFFFAOYSA-N 1 0 393.531 4.347 20 0 GIADRO Cc1cc(SC(C)(C)C)ccc1NC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000190165601 823545081 /nfs/dbraw/zinc/54/50/81/823545081.db2.gz URJTWYHBIRVPQT-MRXNPFEDSA-N 1 0 393.597 4.195 20 0 GIADRO Cc1nc(C)c(C(=O)N(CCC[NH+]2CCCC2)c2ccc(Cl)cc2)nc1C ZINC000411100398 823545976 /nfs/dbraw/zinc/54/59/76/823545976.db2.gz ITYOBFXTIFBOAL-UHFFFAOYSA-N 1 0 386.927 4.188 20 0 GIADRO O=C(c1cccc2nccnc21)N(CCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000411102896 823546528 /nfs/dbraw/zinc/54/65/28/823546528.db2.gz OXDJAGCUTDIJLY-UHFFFAOYSA-N 1 0 394.906 4.416 20 0 GIADRO O=C([C@@H]1C[C@H]1c1cccnc1)N(CCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000411104709 823547001 /nfs/dbraw/zinc/54/70/01/823547001.db2.gz UXUSOWCMGUWFGB-LEWJYISDSA-N 1 0 383.923 4.358 20 0 GIADRO CCc1nc(C(=O)N(CCC[NH+]2CCCC2)c2ccc(Cl)cc2)c(C)o1 ZINC000411105455 823547069 /nfs/dbraw/zinc/54/70/69/823547069.db2.gz WVSCCGLQJKHGIB-UHFFFAOYSA-N 1 0 375.900 4.332 20 0 GIADRO CCOc1ccc(NC(=O)C[NH2+][C@@H](C)[C@H](C)c2nc3ccccc3s2)cc1 ZINC000177927963 823547328 /nfs/dbraw/zinc/54/73/28/823547328.db2.gz QLKYZLOWZNXFOF-GJZGRUSLSA-N 1 0 383.517 4.415 20 0 GIADRO O=c1ccccn1Cc1ccc(C[NH2+][C@H]2CCSc3ccc(F)cc32)cc1 ZINC000177928517 823547351 /nfs/dbraw/zinc/54/73/51/823547351.db2.gz LKNZOTMZECUFKI-FQEVSTJZSA-N 1 0 380.488 4.362 20 0 GIADRO COc1ccc(CC[C@@H](C)[NH2+]Cc2ccc(Cn3ccccc3=O)cc2)cc1 ZINC000177929510 823547437 /nfs/dbraw/zinc/54/74/37/823547437.db2.gz BRWPDBJGLHSSOM-LJQANCHMSA-N 1 0 376.500 4.016 20 0 GIADRO CCc1nc2c(s1)[C@H]([NH2+]Cc1ccc(Cn3ccccc3=O)cc1)CCC2 ZINC000177930518 823547524 /nfs/dbraw/zinc/54/75/24/823547524.db2.gz HSVRQDZURMUPSG-GOSISDBHSA-N 1 0 379.529 4.083 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+][C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000123869563 823547690 /nfs/dbraw/zinc/54/76/90/823547690.db2.gz ZNYGYFPWZGPCAX-HNAYVOBHSA-N 1 0 398.576 4.345 20 0 GIADRO COC[C@H]([NH2+][C@@H]1CCN(C(=O)C2CCCCC2)C1)c1cccc(C(F)(F)F)c1 ZINC000123873000 823548034 /nfs/dbraw/zinc/54/80/34/823548034.db2.gz LPVNUYUHQARXJR-MOPGFXCFSA-N 1 0 398.469 4.164 20 0 GIADRO CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000177938323 823548640 /nfs/dbraw/zinc/54/86/40/823548640.db2.gz FXSFHPYWTHFGOU-FYSMJZIKSA-N 1 0 394.515 4.478 20 0 GIADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000460952034 823549522 /nfs/dbraw/zinc/54/95/22/823549522.db2.gz ACVWRAQKZIZPDM-HOTGVXAUSA-N 1 0 382.470 4.364 20 0 GIADRO O=C(CCN1c2ccccc2Sc2ccccc21)NCC[NH+]1CCCCC1 ZINC000060665967 823551298 /nfs/dbraw/zinc/55/12/98/823551298.db2.gz LVTDFVQXQAPFMQ-UHFFFAOYSA-N 1 0 381.545 4.282 20 0 GIADRO CCOc1cc(C[NH2+]CCc2nc3cc(F)ccc3n2C)ccc1OC(F)F ZINC000123916927 823551585 /nfs/dbraw/zinc/55/15/85/823551585.db2.gz ABZCFGIAPJPTKB-UHFFFAOYSA-N 1 0 393.409 4.045 20 0 GIADRO C[N@@H+]1CC[C@H](CNC(=O)Cc2ccc(F)c(F)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123918429 823551605 /nfs/dbraw/zinc/55/16/05/823551605.db2.gz OGNXVTPGGIZBTM-VLIAUNLRSA-N 1 0 396.840 4.109 20 0 GIADRO CCOCCC1(C(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CCC1 ZINC000123920178 823551702 /nfs/dbraw/zinc/55/17/02/823551702.db2.gz VXMVZCFFINFKPS-VQIMIIECSA-N 1 0 396.934 4.185 20 0 GIADRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCSc2ccccc21 ZINC000460967617 823552590 /nfs/dbraw/zinc/55/25/90/823552590.db2.gz GEEDXQOVXDOHAT-NRFANRHFSA-N 1 0 380.557 4.294 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCN(C(=O)C3CCCCC3)C2)cc1OCC ZINC000123946119 823554191 /nfs/dbraw/zinc/55/41/91/823554191.db2.gz GLZTVPLVEWAWKO-XLIONFOSSA-N 1 0 388.552 4.316 20 0 GIADRO C[S@@](=O)CCC[NH2+]Cc1ccc(Oc2cccc(Br)c2)cc1 ZINC000190240966 823554700 /nfs/dbraw/zinc/55/47/00/823554700.db2.gz JWVAHXIYTNOZDL-JOCHJYFZSA-N 1 0 382.323 4.100 20 0 GIADRO C[NH+]1CCN(Cc2ccc(CNc3ncc(C(F)(F)F)cc3Cl)cc2)CC1 ZINC000060741749 823554880 /nfs/dbraw/zinc/55/48/80/823554880.db2.gz VWNCSCYMJOIUCX-UHFFFAOYSA-N 1 0 398.860 4.113 20 0 GIADRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@@H]1CCCc2c(O)cccc21 ZINC000190244789 823555082 /nfs/dbraw/zinc/55/50/82/823555082.db2.gz NCKMZHIGUXXWRX-HXUWFJFHSA-N 1 0 396.556 4.308 20 0 GIADRO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](Cc2ccc(C(C)C)cc2)C1 ZINC000460981614 823555360 /nfs/dbraw/zinc/55/53/60/823555360.db2.gz HYKGPHJKWXDSDH-ICSRJNTNSA-N 1 0 382.552 4.052 20 0 GIADRO O=C(N[C@@H]1CCSc2ccc(Cl)cc21)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000411191388 823555739 /nfs/dbraw/zinc/55/57/39/823555739.db2.gz BSCMWLSZVFKSPD-NVXWUHKLSA-N 1 0 397.009 4.211 20 0 GIADRO CCSc1cc(Cl)ccc1C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000460998451 823556976 /nfs/dbraw/zinc/55/69/76/823556976.db2.gz FXPJRIKIUFZOEI-UHFFFAOYSA-N 1 0 384.973 4.071 20 0 GIADRO CCCOc1cn(-c2ccccc2)nc1C(=O)Nc1cccc(C[NH2+]CC)c1 ZINC000123975159 823557067 /nfs/dbraw/zinc/55/70/67/823557067.db2.gz ZMMKQTXPQMGQRC-UHFFFAOYSA-N 1 0 378.476 4.023 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]Cc1ccccc1OC(F)F ZINC000123977062 823557238 /nfs/dbraw/zinc/55/72/38/823557238.db2.gz RLNWETAGIGUJNN-GFCCVEGCSA-N 1 0 398.837 4.457 20 0 GIADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)/C=C/c2ccccc2Cl)c1 ZINC000060789494 823557746 /nfs/dbraw/zinc/55/77/46/823557746.db2.gz MBVWMXZBNAIWQM-OUKQBFOZSA-N 1 0 399.922 4.064 20 0 GIADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)N(C)[C@H]1CC[C@@H](C(F)(F)F)CC1)c1ccco1 ZINC000461005842 823558089 /nfs/dbraw/zinc/55/80/89/823558089.db2.gz LLTLPIKHBRWHAR-JONQDZQNSA-N 1 0 389.462 4.471 20 0 GIADRO COc1ccc(OCc2nc(C[NH2+]CCc3ccc(F)c(F)c3)cs2)cc1 ZINC000190284037 823559087 /nfs/dbraw/zinc/55/90/87/823559087.db2.gz UKUNVAAWKHQVLK-UHFFFAOYSA-N 1 0 390.455 4.341 20 0 GIADRO CCC[NH2+]Cc1ccc(OCCOc2cccc(Br)c2)c(OC)c1 ZINC000060815335 823559330 /nfs/dbraw/zinc/55/93/30/823559330.db2.gz RYQWMKGWWVQARC-UHFFFAOYSA-N 1 0 394.309 4.415 20 0 GIADRO OC1CCC([NH2+]Cc2cc(Br)ccc2OCc2ccccc2)CC1 ZINC000060815513 823559340 /nfs/dbraw/zinc/55/93/40/823559340.db2.gz UCCHKASMJAWYRM-UHFFFAOYSA-N 1 0 390.321 4.421 20 0 GIADRO CNC(=O)[C@H]1CCC[N@H+](Cc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)C1 ZINC000411255112 823560548 /nfs/dbraw/zinc/56/05/48/823560548.db2.gz OXJCJLMZDPONIO-AWEZNQCLSA-N 1 0 397.466 4.095 20 0 GIADRO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N(Cc1ccco1)Cc1ccccc1 ZINC000411263627 823560868 /nfs/dbraw/zinc/56/08/68/823560868.db2.gz UFUMDVDBDGQFIG-HXUWFJFHSA-N 1 0 384.545 4.026 20 0 GIADRO Cc1ccc(C[NH2+]Cc2ccccc2Br)c(-n2cc(Cl)cn2)n1 ZINC000190306492 823561166 /nfs/dbraw/zinc/56/11/66/823561166.db2.gz FAZJFRCPWMXIAS-UHFFFAOYSA-N 1 0 391.700 4.281 20 0 GIADRO COC1CCC([N@H+](C)CCC(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC000411271957 823561541 /nfs/dbraw/zinc/56/15/41/823561541.db2.gz LUNZHRIFFJTPIP-UHFFFAOYSA-N 1 0 380.532 4.172 20 0 GIADRO Cc1ccc(C[NH2+]Cc2ccc(OC(F)F)c(F)c2)c(-n2cc(Cl)cn2)n1 ZINC000190309373 823561565 /nfs/dbraw/zinc/56/15/65/823561565.db2.gz YPEKOFPQIKRBAH-UHFFFAOYSA-N 1 0 396.800 4.259 20 0 GIADRO CC(C)c1c(C(=O)N[C@H](C)C[N@H+](C)C(C)C)cnn1-c1ccccc1Cl ZINC000461030755 823562187 /nfs/dbraw/zinc/56/21/87/823562187.db2.gz RHACUNAKOQJHNE-OAHLLOKOSA-N 1 0 376.932 4.108 20 0 GIADRO CC[C@H](C(=O)N[C@@H]1c2ccccc2CC12CCOCC2)[N@H+](C)Cc1ccccc1 ZINC000461033830 823562664 /nfs/dbraw/zinc/56/26/64/823562664.db2.gz MYMJAKCDZSXYFH-DHIUTWEWSA-N 1 0 392.543 4.107 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2CCSc3ccccc32)cc1Cl ZINC000461035817 823563062 /nfs/dbraw/zinc/56/30/62/823563062.db2.gz BIGROCNYLZGFEV-MRXNPFEDSA-N 1 0 390.936 4.499 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)C2CC[NH+](Cc3ccc(C)c(C)c3)CC2)c1 ZINC000124057693 823563940 /nfs/dbraw/zinc/56/39/40/823563940.db2.gz NNASVMIIAMUEBA-UHFFFAOYSA-N 1 0 379.504 4.113 20 0 GIADRO Cc1ccc2ncc(C[NH+]3CCC(C(=O)Nc4ccccc4O)CC3)cc2c1 ZINC000411321278 823564405 /nfs/dbraw/zinc/56/44/05/823564405.db2.gz HZRZMESHIKBVKP-UHFFFAOYSA-N 1 0 375.472 4.100 20 0 GIADRO O=C(CC[NH2+][C@@H](c1ccccc1)c1ccccn1)N[C@H]1CCCc2ccccc21 ZINC000411320200 823564488 /nfs/dbraw/zinc/56/44/88/823564488.db2.gz FVIUHOCFJNFXKK-DHLKQENFSA-N 1 0 385.511 4.345 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)Nc1cccc(C(F)(F)F)n1 ZINC000124070076 823564991 /nfs/dbraw/zinc/56/49/91/823564991.db2.gz VHPKEKQTRFEXKT-CYBMUJFWSA-N 1 0 382.386 4.042 20 0 GIADRO Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@H](C)c3ccc(Cl)s3)CC2)cc1 ZINC000124071000 823565126 /nfs/dbraw/zinc/56/51/26/823565126.db2.gz KSRAERWQMFDUGB-CQSZACIVSA-N 1 0 398.981 4.214 20 0 GIADRO CCOC(=O)c1csc(CC[NH2+]Cc2cnc(-c3ccc(C)cc3)s2)n1 ZINC000190347834 823565143 /nfs/dbraw/zinc/56/51/43/823565143.db2.gz ILTFKNWRUCADRG-UHFFFAOYSA-N 1 0 387.530 4.084 20 0 GIADRO O=C(C[NH2+]C1(c2ccc(Cl)cc2)CCOCC1)N1CCC[C@H]2CCCC[C@H]21 ZINC000411369522 823566909 /nfs/dbraw/zinc/56/69/09/823566909.db2.gz QJMGKBYPQFXXTL-YLJYHZDGSA-N 1 0 390.955 4.117 20 0 GIADRO CCC[N@H+](CCC(=O)Nc1ccccc1Br)C[C@@H]1CCCCO1 ZINC000411370914 823567138 /nfs/dbraw/zinc/56/71/38/823567138.db2.gz VUDWZSIQVIOSDM-HNNXBMFYSA-N 1 0 383.330 4.059 20 0 GIADRO Cc1cscc1NC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000124110597 823568385 /nfs/dbraw/zinc/56/83/85/823568385.db2.gz CHVCLAGRSGNEHK-UHFFFAOYSA-N 1 0 396.354 4.415 20 0 GIADRO COC(=O)[C@@H](C)[C@@H]([NH2+]CCc1nc(-c2ccc(Cl)cc2)no1)c1ccccc1 ZINC000411387116 823568523 /nfs/dbraw/zinc/56/85/23/823568523.db2.gz IXHWMVLUESUJJV-IFXJQAMLSA-N 1 0 399.878 4.073 20 0 GIADRO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+]CCCOC1CCCC1 ZINC000060951782 823569004 /nfs/dbraw/zinc/56/90/04/823569004.db2.gz VWXFYDNFSYXASG-UHFFFAOYSA-N 1 0 379.907 4.471 20 0 GIADRO Cc1ccc(C)c(Oc2ccc(CNC(=O)NCC[NH+](C(C)C)C(C)C)cn2)c1 ZINC000060955255 823569311 /nfs/dbraw/zinc/56/93/11/823569311.db2.gz NJQCFJCBSIEDDJ-UHFFFAOYSA-N 1 0 398.551 4.409 20 0 GIADRO C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)C2CC2)o1 ZINC000411393725 823569579 /nfs/dbraw/zinc/56/95/79/823569579.db2.gz WGMVIIAEYFGCFR-ZTNFWEORSA-N 1 0 388.577 4.112 20 0 GIADRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)Nc1nc2ccccc2s1 ZINC000060974384 823570514 /nfs/dbraw/zinc/57/05/14/823570514.db2.gz DARUAJHRZQPLEN-UHFFFAOYSA-N 1 0 386.546 4.392 20 0 GIADRO N#Cc1cccc(COc2cccc(C[NH2+]C[C@H](O)c3ccc(F)cc3)c2)c1 ZINC000060973971 823570533 /nfs/dbraw/zinc/57/05/33/823570533.db2.gz GDXQNRMMFMLABW-QHCPKHFHSA-N 1 0 376.431 4.100 20 0 GIADRO CCCNC(=O)CCC[N@@H+]1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000411405571 823570828 /nfs/dbraw/zinc/57/08/28/823570828.db2.gz ZRONZVBNBXRNTC-SFHVURJKSA-N 1 0 390.572 4.068 20 0 GIADRO Fc1cc(-c2ncco2)ccc1C[N@@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000411406336 823570845 /nfs/dbraw/zinc/57/08/45/823570845.db2.gz JAPWKOONAIOPFG-GOSISDBHSA-N 1 0 376.435 4.495 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)cc1OCC ZINC000124140291 823571203 /nfs/dbraw/zinc/57/12/03/823571203.db2.gz JCQDQJTZHBZXCF-LPHOPBHVSA-N 1 0 382.504 4.220 20 0 GIADRO COc1cccc(CC[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c1 ZINC000060998513 823571969 /nfs/dbraw/zinc/57/19/69/823571969.db2.gz LCXKSKKZUHFWGM-UHFFFAOYSA-N 1 0 375.394 4.232 20 0 GIADRO CC[NH+](CC)CCN(C(=O)c1ccc(OC)nc1)c1cccc(C(F)(F)F)c1 ZINC000461079923 823572027 /nfs/dbraw/zinc/57/20/27/823572027.db2.gz HHPPYWAHXOZMIO-UHFFFAOYSA-N 1 0 395.425 4.098 20 0 GIADRO CCc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCCn2ccnc2)cc1 ZINC000061003056 823572134 /nfs/dbraw/zinc/57/21/34/823572134.db2.gz ZOXMKYRKPKZEPR-UHFFFAOYSA-N 1 0 385.515 4.478 20 0 GIADRO Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1C[NH2+]C[C@@H]1CCCO1 ZINC000061002767 823572177 /nfs/dbraw/zinc/57/21/77/823572177.db2.gz DNYOGRORZWKICN-LBPRGKRZSA-N 1 0 388.726 4.469 20 0 GIADRO CCCCOc1cc(C[NH2+][C@H]2CCCO[C@@H]2c2nccn2CC)ccc1OC ZINC000190425947 823572209 /nfs/dbraw/zinc/57/22/09/823572209.db2.gz KUDLZMHVDAMXMS-RXVVDRJESA-N 1 0 387.524 4.100 20 0 GIADRO Cc1nn(Cc2ccccc2Cl)c(Cl)c1C[NH2+]CCc1ccccn1 ZINC000061003566 823572258 /nfs/dbraw/zinc/57/22/58/823572258.db2.gz PIYSRGYLCIDXSW-UHFFFAOYSA-N 1 0 375.303 4.274 20 0 GIADRO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1ccc(-c2c(F)cccc2F)o1 ZINC000190428756 823572427 /nfs/dbraw/zinc/57/24/27/823572427.db2.gz KWIBHMXWZSFCNB-PXNSSMCTSA-N 1 0 387.430 4.451 20 0 GIADRO COc1ccc(CNC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)cc1F ZINC000061011694 823572733 /nfs/dbraw/zinc/57/27/33/823572733.db2.gz BAJCBTMKNCXBHD-UHFFFAOYSA-N 1 0 399.510 4.210 20 0 GIADRO Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]C[C@@H](c1cccs1)N(C)C ZINC000061013635 823572925 /nfs/dbraw/zinc/57/29/25/823572925.db2.gz MDKFMQUHJSYMFP-SFHVURJKSA-N 1 0 388.968 4.347 20 0 GIADRO Cc1ccccc1C[C@H](C)NC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000061020993 823573680 /nfs/dbraw/zinc/57/36/80/823573680.db2.gz XYEDPBMRCGBUGE-SFHVURJKSA-N 1 0 385.577 4.199 20 0 GIADRO O=S1(=O)CCCN1c1ccc(C[NH2+][C@H]2CCCC[C@H]2c2ccccc2)cc1 ZINC000461085578 823573671 /nfs/dbraw/zinc/57/36/71/823573671.db2.gz HYEHUYKKJSAOFN-VXKWHMMOSA-N 1 0 384.545 4.043 20 0 GIADRO c1cc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc(-c2ccncc2)c1 ZINC000124164434 823573629 /nfs/dbraw/zinc/57/36/29/823573629.db2.gz DRWDXAHUXGIZED-JOCHJYFZSA-N 1 0 387.531 4.446 20 0 GIADRO O=S1(=O)CCCN1c1ccc(C[NH2+][C@H]2CCCC[C@@H](c3ccccc3)C2)cc1 ZINC000461085878 823573716 /nfs/dbraw/zinc/57/37/16/823573716.db2.gz VWUDTKIDYKWEAN-YADHBBJMSA-N 1 0 398.572 4.433 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+]CCc2nc(-c3ccccc3)no2)cc1OCC ZINC000411436342 823573980 /nfs/dbraw/zinc/57/39/80/823573980.db2.gz HGFKTMPQNZWVTP-INIZCTEOSA-N 1 0 381.476 4.427 20 0 GIADRO O=C(N1CC[C@H]([NH+]2CCCCC2)C1)C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000461087373 823574003 /nfs/dbraw/zinc/57/40/03/823574003.db2.gz YTOCFZRRPWPQMH-SFHVURJKSA-N 1 0 380.454 4.214 20 0 GIADRO CO[C@]1(C[NH2+][C@H](c2cccc(F)c2)c2cccc(Br)c2)CCOC1 ZINC000461087269 823574081 /nfs/dbraw/zinc/57/40/81/823574081.db2.gz MOECDGUAYAYMOD-OALUTQOASA-N 1 0 394.284 4.073 20 0 GIADRO COc1cc(Br)ccc1[C@@H](C)[NH2+]C[C@@H](O)c1ccc(F)c(F)c1 ZINC000190439723 823574063 /nfs/dbraw/zinc/57/40/63/823574063.db2.gz WTRPYGFFVZXQKS-QLJPJBMISA-N 1 0 386.236 4.120 20 0 GIADRO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CNCCC[N@H+]1CCCC[C@@H]1C ZINC000061029110 823574223 /nfs/dbraw/zinc/57/42/23/823574223.db2.gz BBVUAENTNHGQGU-INIZCTEOSA-N 1 0 392.950 4.386 20 0 GIADRO C[C@@H]1CSCC[N@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000190440766 823574361 /nfs/dbraw/zinc/57/43/61/823574361.db2.gz XRWXDQVVPGWXPY-ZDUSSCGKSA-N 1 0 378.339 4.091 20 0 GIADRO CCC[NH+]1CCC(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000061031486 823574419 /nfs/dbraw/zinc/57/44/19/823574419.db2.gz GWSMUMCUGOBWJZ-UHFFFAOYSA-N 1 0 382.348 4.328 20 0 GIADRO C[NH+]1CCC(NC(=O)c2ccccc2OCc2ccc(Cl)cc2Cl)CC1 ZINC000061031073 823574431 /nfs/dbraw/zinc/57/44/31/823574431.db2.gz PDVCVQQKLANAFK-UHFFFAOYSA-N 1 0 393.314 4.396 20 0 GIADRO Cc1ccc2ncc(C[NH2+][C@H](C)c3ccc(OCC(=O)NC4CC4)cc3)cc2c1 ZINC000411445127 823574871 /nfs/dbraw/zinc/57/48/71/823574871.db2.gz MGZXJAHBZOJLCW-QGZVFWFLSA-N 1 0 389.499 4.051 20 0 GIADRO COc1ccc(CNC(=O)C[NH2+][C@@H]2CCCc3c4ccccc4sc32)cc1 ZINC000461090554 823574922 /nfs/dbraw/zinc/57/49/22/823574922.db2.gz AMYQFRJJGOVSNI-LJQANCHMSA-N 1 0 380.513 4.193 20 0 GIADRO COc1cc(Br)ccc1[C@@H](C)[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000190443977 823575084 /nfs/dbraw/zinc/57/50/84/823575084.db2.gz WEKIAHVXOGGERF-GFCCVEGCSA-N 1 0 378.266 4.080 20 0 GIADRO Cc1cc(C(=O)NCCC[NH+]2CCC(C)CC2)ccc1NC(=O)c1cccs1 ZINC000124180041 823575081 /nfs/dbraw/zinc/57/50/81/823575081.db2.gz QNVUAZPCRGMEJL-UHFFFAOYSA-N 1 0 399.560 4.161 20 0 GIADRO COc1cc(C[NH2+]Cc2cccc(OCc3ccccc3)c2)cc2c1OCCO2 ZINC000061044600 823575145 /nfs/dbraw/zinc/57/51/45/823575145.db2.gz DZHFIFNKTXTYTH-UHFFFAOYSA-N 1 0 391.467 4.335 20 0 GIADRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)C[C@@H](c2ccccc2)C1 ZINC000461093212 823575313 /nfs/dbraw/zinc/57/53/13/823575313.db2.gz VVEAZMBWHMFVOO-NYVOZVTQSA-N 1 0 398.572 4.289 20 0 GIADRO O=C(CC[NH2+][C@H](CCO)c1ccccc1)N[C@@H](c1cccs1)c1ccccc1 ZINC000411453395 823576417 /nfs/dbraw/zinc/57/64/17/823576417.db2.gz XKVPPIBBCWTKJL-NFBKMPQASA-N 1 0 394.540 4.057 20 0 GIADRO CCOc1ccc(NC(=O)CC[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1 ZINC000411454142 823576418 /nfs/dbraw/zinc/57/64/18/823576418.db2.gz RMKBHALLXBKASO-MRXNPFEDSA-N 1 0 395.503 4.113 20 0 GIADRO O=C([C@H]1Cc2ccccc21)N(CCCn1ccnc1)Cc1c(F)cccc1Cl ZINC000461097861 823576433 /nfs/dbraw/zinc/57/64/33/823576433.db2.gz HABLVJYMFKUSQO-SFHVURJKSA-N 1 0 397.881 4.434 20 0 GIADRO C[C@@H](OCCCNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccccc1 ZINC000061070439 823576695 /nfs/dbraw/zinc/57/66/95/823576695.db2.gz RRFLIRHEQNCEAX-CTNGQTDRSA-N 1 0 399.535 4.274 20 0 GIADRO CC[N@H+](Cc1c[nH]c2ccccc12)[C@@H](C)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000190455370 823576957 /nfs/dbraw/zinc/57/69/57/823576957.db2.gz OCEAKHDIGBUITL-HNNXBMFYSA-N 1 0 381.476 4.034 20 0 GIADRO O=C(CC[NH2+][C@H](c1ccccc1)[C@H]1CCOC1)Nc1ccccc1C(F)(F)F ZINC000411457975 823577043 /nfs/dbraw/zinc/57/70/43/823577043.db2.gz IKSVBOUPJLYNKR-OXJNMPFZSA-N 1 0 392.421 4.401 20 0 GIADRO CCCOc1c(Br)cc(C[NH2+]Cc2ccc(C#N)cc2)cc1OC ZINC000061079329 823577556 /nfs/dbraw/zinc/57/75/56/823577556.db2.gz SPIATIHXDYJZTB-UHFFFAOYSA-N 1 0 389.293 4.408 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1)C(=O)N1CCCCC1 ZINC000411464888 823577956 /nfs/dbraw/zinc/57/79/56/823577956.db2.gz ZBABAWQFTSNBAK-IAGOWNOFSA-N 1 0 397.494 4.130 20 0 GIADRO CC(C)(CC(F)F)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000411465985 823578097 /nfs/dbraw/zinc/57/80/97/823578097.db2.gz QAMZMFQHHLJAIV-UHFFFAOYSA-N 1 0 381.467 4.121 20 0 GIADRO CO[C@]1(C[NH2+][C@H](c2ccc(Br)cc2)c2ccccc2F)CCOC1 ZINC000461104989 823578237 /nfs/dbraw/zinc/57/82/37/823578237.db2.gz YMRQUDHERUYZQM-MOPGFXCFSA-N 1 0 394.284 4.073 20 0 GIADRO COCCSc1ccc([C@H](C)[NH2+]CCC(=O)N2CCc3ccccc32)cc1 ZINC000411467655 823578338 /nfs/dbraw/zinc/57/83/38/823578338.db2.gz YWKCNEKBUXSPAV-KRWDZBQOSA-N 1 0 384.545 4.055 20 0 GIADRO COC[C@H]([NH2+]CCC(=O)Nc1cc(Cl)ccc1Cl)c1ccc(F)cc1 ZINC000411470551 823578473 /nfs/dbraw/zinc/57/84/73/823578473.db2.gz CJYOWUXHIGMYJJ-KRWDZBQOSA-N 1 0 385.266 4.438 20 0 GIADRO FC(F)(F)Oc1ccc(CC[NH2+]Cc2cnn(Cc3ccccc3)c2)cc1 ZINC000061109278 823578505 /nfs/dbraw/zinc/57/85/05/823578505.db2.gz CWESLFNJCUKYCL-UHFFFAOYSA-N 1 0 375.394 4.162 20 0 GIADRO COC[C@H]([NH2+]CCc1nc(-c2cccc(Cl)c2)no1)c1ccc(F)cc1 ZINC000411476812 823579250 /nfs/dbraw/zinc/57/92/50/823579250.db2.gz QOTSGYCFPVMQGQ-KRWDZBQOSA-N 1 0 375.831 4.049 20 0 GIADRO COc1cc(NC(=O)CC[NH2+][C@H](C)c2ccc(F)c(C)c2)c(OC)cc1Cl ZINC000411475786 823579309 /nfs/dbraw/zinc/57/93/09/823579309.db2.gz OMVBHSKSQDCQPE-CYBMUJFWSA-N 1 0 394.874 4.484 20 0 GIADRO NC(=O)COc1ccc(C[NH2+][C@@H](c2cccs2)c2ccc(Cl)cc2)cc1 ZINC000061135227 823579870 /nfs/dbraw/zinc/57/98/70/823579870.db2.gz RYMHCSYHWSPRND-HXUWFJFHSA-N 1 0 386.904 4.145 20 0 GIADRO CO[C@]1(C[NH2+][C@@H]2CCCc3nc(-c4ccc(Cl)cc4)sc32)CCOC1 ZINC000461113211 823579926 /nfs/dbraw/zinc/57/99/26/823579926.db2.gz WNKFUJJHSSSAFV-BEFAXECRSA-N 1 0 378.925 4.236 20 0 GIADRO COC(=O)c1c(C)[nH]c(C(=O)C[NH2+][C@H](C)c2ccc(-c3ccncc3)cc2)c1C ZINC000411481814 823579973 /nfs/dbraw/zinc/57/99/73/823579973.db2.gz YCKXJBKMUAGPGX-OAHLLOKOSA-N 1 0 391.471 4.014 20 0 GIADRO CC[C@@H]([NH2+]CCC(=O)NC(c1ccccc1)c1ccccc1)C1CCOCC1 ZINC000411483059 823580210 /nfs/dbraw/zinc/58/02/10/823580210.db2.gz USHJBPKWVSPUEI-JOCHJYFZSA-N 1 0 380.532 4.077 20 0 GIADRO O=C(C[N@H+](C1CC1)C1CCCCC1)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000061162756 823581574 /nfs/dbraw/zinc/58/15/74/823581574.db2.gz XNSCEMLQLXOJLH-LJQANCHMSA-N 1 0 381.476 4.347 20 0 GIADRO CC(C)COC[C@@H]([NH2+]CCC(=O)Nc1ccc(Cl)cc1F)c1ccco1 ZINC000411510280 823582525 /nfs/dbraw/zinc/58/25/25/823582525.db2.gz FYQSQPSYEVWCGB-QGZVFWFLSA-N 1 0 382.863 4.404 20 0 GIADRO CCOc1cccc2cc([C@@H](C)NC(=O)NCC(C)(C)[NH+]3CCCCC3)oc21 ZINC000061185505 823582648 /nfs/dbraw/zinc/58/26/48/823582648.db2.gz WHKRHBPAHOHZJL-MRXNPFEDSA-N 1 0 387.524 4.456 20 0 GIADRO CCc1cnccc1[C@H](C)[NH2+]CCC(=O)Nc1ccc(Br)cc1 ZINC000411509264 823582652 /nfs/dbraw/zinc/58/26/52/823582652.db2.gz WEBMCBALMDHCRH-ZDUSSCGKSA-N 1 0 376.298 4.086 20 0 GIADRO CCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 ZINC000124270585 823582752 /nfs/dbraw/zinc/58/27/52/823582752.db2.gz VYXWFDXBPPMIPO-IBGZPJMESA-N 1 0 375.488 4.157 20 0 GIADRO CC[C@@H]([NH2+]CCC(=O)Nc1cc(Cl)ccc1Cl)c1c(C)nn(C)c1C ZINC000411512799 823582839 /nfs/dbraw/zinc/58/28/39/823582839.db2.gz BWNXQBGHBDHEGT-OAHLLOKOSA-N 1 0 383.323 4.413 20 0 GIADRO CC[C@H]([NH2+]CCC(=O)Nc1c(C)nn(-c2ccccc2)c1C)c1nccs1 ZINC000411512618 823582851 /nfs/dbraw/zinc/58/28/51/823582851.db2.gz BHARKOCMJOHKIJ-KRWDZBQOSA-N 1 0 383.521 4.015 20 0 GIADRO CC[NH+](CC)CCOc1cc(NC(=O)c2ccc3ncccc3c2)ccc1OC ZINC000124281784 823583500 /nfs/dbraw/zinc/58/35/00/823583500.db2.gz IFOKBOCWVAJSNE-UHFFFAOYSA-N 1 0 393.487 4.216 20 0 GIADRO CC[C@H]([NH2+]CCc1nc2sc3c(c2c(N)n1)CC[C@@H](C)C3)c1nccs1 ZINC000411517792 823583626 /nfs/dbraw/zinc/58/36/26/823583626.db2.gz NNXMIWVXDPIBAX-YPMHNXCESA-N 1 0 387.578 4.138 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(NC(=O)[C@@H]3C[C@H]3C)cc2)cc1 ZINC000190532384 823583841 /nfs/dbraw/zinc/58/38/41/823583841.db2.gz QRESLQMFMXBSDA-IIBYNOLFSA-N 1 0 379.504 4.375 20 0 GIADRO CC[C@H]([NH2+]CCC(=O)Nc1ccccc1Br)c1c(C)noc1C ZINC000411521045 823584114 /nfs/dbraw/zinc/58/41/14/823584114.db2.gz XPCYQBXMCOOITR-AWEZNQCLSA-N 1 0 380.286 4.123 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000190533941 823584126 /nfs/dbraw/zinc/58/41/26/823584126.db2.gz QAKSJTRMSINWQV-UHFFFAOYSA-N 1 0 389.540 4.114 20 0 GIADRO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000411524009 823584512 /nfs/dbraw/zinc/58/45/12/823584512.db2.gz JMWZFRYYXSOCFQ-KDOFPFPSSA-N 1 0 388.309 4.256 20 0 GIADRO COc1cc(NC(=O)CC[NH2+][C@H](C)c2cc(C)oc2C)c(OC)cc1Cl ZINC000411523286 823584526 /nfs/dbraw/zinc/58/45/26/823584526.db2.gz YFNLVHQBNXIOKK-GFCCVEGCSA-N 1 0 380.872 4.246 20 0 GIADRO COc1cc(NC(=O)CC[NH2+][C@H](C)c2cc3ccccc3o2)cc(OC)c1OC ZINC000411526419 823584668 /nfs/dbraw/zinc/58/46/68/823584668.db2.gz DQVRFLJXMUEWEJ-CQSZACIVSA-N 1 0 398.459 4.138 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)CCc2nc(-c3cccs3)no2)cc1 ZINC000190545714 823585014 /nfs/dbraw/zinc/58/50/14/823585014.db2.gz MXWBBHOKMUTVIG-UHFFFAOYSA-N 1 0 384.505 4.211 20 0 GIADRO C[C@H]1C[C@@H](c2cccnc2)[N@H+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000411532695 823585338 /nfs/dbraw/zinc/58/53/38/823585338.db2.gz ZOCATLSMYQNBHO-KSSFIOAISA-N 1 0 388.309 4.256 20 0 GIADRO Cc1cc(C(=O)NC2CCN(c3cc(C)[nH+]c4ccc(F)cc43)CC2)c(C)o1 ZINC000124301649 823585459 /nfs/dbraw/zinc/58/54/59/823585459.db2.gz BEQSRCNCQAZHQF-UHFFFAOYSA-N 1 0 381.451 4.291 20 0 GIADRO CSCC[C@@H]([NH2+]CCCOc1cc(C)ccc1C)c1nnc2ccccn21 ZINC000411534127 823585474 /nfs/dbraw/zinc/58/54/74/823585474.db2.gz NSVNUFRXRAZPRL-GOSISDBHSA-N 1 0 384.549 4.199 20 0 GIADRO C[C@@H]([NH2+]CCC(=O)Nc1c(Cl)cccc1Cl)[C@@H]1COc2ccccc21 ZINC000411533225 823585587 /nfs/dbraw/zinc/58/55/87/823585587.db2.gz MEBHJHQSIIHPMJ-OCCSQVGLSA-N 1 0 379.287 4.476 20 0 GIADRO CSCC[C@H]([NH2+]CCCOc1cc(C)ccc1C)c1nnc2ccccn21 ZINC000411534129 823585600 /nfs/dbraw/zinc/58/56/00/823585600.db2.gz NSVNUFRXRAZPRL-SFHVURJKSA-N 1 0 384.549 4.199 20 0 GIADRO C[C@@H]([NH2+]CCC(=O)Nc1cc(Cl)ccc1Cl)[C@H]1COc2ccccc21 ZINC000411534664 823585771 /nfs/dbraw/zinc/58/57/71/823585771.db2.gz OWBFWUJLXOYBGW-IUODEOHRSA-N 1 0 379.287 4.476 20 0 GIADRO CCOc1ccccc1NC(=O)CC[NH2+][C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000411535255 823586087 /nfs/dbraw/zinc/58/60/87/823586087.db2.gz FPOCSVSVGXKQNA-SFHVURJKSA-N 1 0 392.503 4.010 20 0 GIADRO Cc1cnc([C@H](C)[NH2+]CCc2nc3sc4c(c3c(N)n2)CC[C@@H](C)C4)s1 ZINC000411539842 823586418 /nfs/dbraw/zinc/58/64/18/823586418.db2.gz MIYMPTJZEPEWHJ-PWSUYJOCSA-N 1 0 387.578 4.057 20 0 GIADRO O=C(N[C@@H](CC(F)(F)F)c1ccccc1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000411541327 823586713 /nfs/dbraw/zinc/58/67/13/823586713.db2.gz XZIICGFIALAIRW-SJORKVTESA-N 1 0 386.483 4.014 20 0 GIADRO C[C@@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1cc2ccccc2o1 ZINC000190562640 823586834 /nfs/dbraw/zinc/58/68/34/823586834.db2.gz UTQBAKQUAFGPAH-HLIPFELVSA-N 1 0 392.503 4.099 20 0 GIADRO S=C(Nc1ccc(Oc2ccccc2)cc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000061247362 823587133 /nfs/dbraw/zinc/58/71/33/823587133.db2.gz FPJDMNCGRNMLGW-UHFFFAOYSA-N 1 0 390.512 4.393 20 0 GIADRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NCc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000411548580 823587232 /nfs/dbraw/zinc/58/72/32/823587232.db2.gz FJUMLCINMLSYBS-FQEVSTJZSA-N 1 0 398.938 4.235 20 0 GIADRO CC(C)(CNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000190580118 823588090 /nfs/dbraw/zinc/58/80/90/823588090.db2.gz ILZMXSWVDQMGJK-INIZCTEOSA-N 1 0 397.485 4.110 20 0 GIADRO Cc1ncsc1CCC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000411561193 823588161 /nfs/dbraw/zinc/58/81/61/823588161.db2.gz LMQXFNQYEFEPDO-UHFFFAOYSA-N 1 0 385.577 4.465 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)cc1 ZINC000190590084 823588920 /nfs/dbraw/zinc/58/89/20/823588920.db2.gz ATPJMQXPPGNPOB-AWEZNQCLSA-N 1 0 383.517 4.213 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc2c(c1)OCCCO2)c1cc2ccccc2o1 ZINC000190591063 823589089 /nfs/dbraw/zinc/58/90/89/823589089.db2.gz KIRCLJCRVMJOQC-CABCVRRESA-N 1 0 380.444 4.272 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)c1cc(-c2ccccc2)on1 ZINC000061288490 823589982 /nfs/dbraw/zinc/58/99/82/823589982.db2.gz MIVUQYNARMDWAU-UHFFFAOYSA-N 1 0 393.512 4.185 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)C1(c2cccc(F)c2)CCC1 ZINC000061288184 823590015 /nfs/dbraw/zinc/59/00/15/823590015.db2.gz CVMHSWFCIJDZRL-UHFFFAOYSA-N 1 0 398.547 4.477 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)Nc2ccc(N3CCSCC3)cc2)c1 ZINC000124369475 823590873 /nfs/dbraw/zinc/59/08/73/823590873.db2.gz CTXCKSJXCKZAQC-UHFFFAOYSA-N 1 0 398.576 4.013 20 0 GIADRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1cccc2ncccc21 ZINC000061307991 823590885 /nfs/dbraw/zinc/59/08/85/823590885.db2.gz RNRFAZADDSUTHM-UHFFFAOYSA-N 1 0 377.513 4.344 20 0 GIADRO CN(Cc1ccco1)C(=O)C[NH2+][C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000411618380 823591254 /nfs/dbraw/zinc/59/12/54/823591254.db2.gz UWYIEPLFTNDCNE-QZTJIDSGSA-N 1 0 380.410 4.183 20 0 GIADRO C[C@H]1CN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)C[C@@H](c2ccccc2)O1 ZINC000411621451 823591558 /nfs/dbraw/zinc/59/15/58/823591558.db2.gz QMLGDMBAYRJQPK-CVDCTZTESA-N 1 0 378.516 4.275 20 0 GIADRO O=C(CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)Nc1cc(Cl)ccc1Cl ZINC000411634057 823592618 /nfs/dbraw/zinc/59/26/18/823592618.db2.gz UFYWOTSVVMWKJZ-FSPWUOQZSA-N 1 0 383.319 4.259 20 0 GIADRO CSc1ccccc1NC(=O)CC[NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000411637117 823592920 /nfs/dbraw/zinc/59/29/20/823592920.db2.gz CJYCNMOMKASOML-PXNSSMCTSA-N 1 0 392.471 4.135 20 0 GIADRO COC(=O)c1cc(C[NH2+]C2(c3cccc(C(F)(F)F)c3)CCOCC2)cs1 ZINC000411646711 823593649 /nfs/dbraw/zinc/59/36/49/823593649.db2.gz KGXFRGCVVRCBPZ-UHFFFAOYSA-N 1 0 399.434 4.349 20 0 GIADRO Fc1cc([C@@H]2OCC[C@H]2[NH2+]Cc2ccc(Br)cn2)ccc1Cl ZINC000411649936 823594052 /nfs/dbraw/zinc/59/40/52/823594052.db2.gz QECZPRBUWGYCMR-CVEARBPZSA-N 1 0 385.664 4.256 20 0 GIADRO CC1(C)CN(C(=O)c2ccc(C[NH+]3CCSCC3)cc2)c2ccccc2O1 ZINC000124411176 823594518 /nfs/dbraw/zinc/59/45/18/823594518.db2.gz RCIVCJJNECJPSU-UHFFFAOYSA-N 1 0 382.529 4.053 20 0 GIADRO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)c1C ZINC000411652981 823594549 /nfs/dbraw/zinc/59/45/49/823594549.db2.gz VDDXPVKTSDBWJJ-KPFBPEDLSA-N 1 0 388.895 4.179 20 0 GIADRO CC[NH+](CC)CCNC(=O)[C@@](C)(Cc1nc2ccccc2s1)c1ccccc1 ZINC000061429220 823596828 /nfs/dbraw/zinc/59/68/28/823596828.db2.gz OLVADTWDPHWEBZ-QHCPKHFHSA-N 1 0 395.572 4.255 20 0 GIADRO CC(=O)Nc1cccc(C(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)c1C ZINC000190672339 823597098 /nfs/dbraw/zinc/59/70/98/823597098.db2.gz KQMLOZDWZDUUJE-UHFFFAOYSA-N 1 0 379.504 4.438 20 0 GIADRO O=C(CC[NH2+][C@@H]1CCCC[C@H]1OC(F)F)Nc1ccccc1C(F)(F)F ZINC000411696590 823597769 /nfs/dbraw/zinc/59/77/69/823597769.db2.gz USXGMKDWEMTHNF-ZIAGYGMSSA-N 1 0 380.357 4.174 20 0 GIADRO CC(C)(C)O[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000124450291 823597905 /nfs/dbraw/zinc/59/79/05/823597905.db2.gz LYOGMMWMISHWIJ-QFIPXVFZSA-N 1 0 380.532 4.324 20 0 GIADRO Cc1cccc([C@H](NC(=O)NCC(C)(C)[NH+]2CCCCC2)c2ccccn2)c1 ZINC000124454175 823597973 /nfs/dbraw/zinc/59/79/73/823597973.db2.gz CHHRYTKBZQOCDN-NRFANRHFSA-N 1 0 380.536 4.043 20 0 GIADRO CCCN(CC[NH+](CC)CC)C(=O)c1csc(Cc2ccccc2F)n1 ZINC000461204839 823598179 /nfs/dbraw/zinc/59/81/79/823598179.db2.gz SUPOJUWOHZKITJ-UHFFFAOYSA-N 1 0 377.529 4.067 20 0 GIADRO C[C@@H](NC(=O)NCC1([NH+]2CCSCC2)CCCC1)c1cc2ccccc2o1 ZINC000061449935 823598262 /nfs/dbraw/zinc/59/82/62/823598262.db2.gz BMDRFXPYKIKHLR-MRXNPFEDSA-N 1 0 387.549 4.155 20 0 GIADRO OCC[C@H]([NH2+]CCc1nc(-c2ccccc2)no1)c1ccc(Cl)c(Cl)c1 ZINC000411716910 823599580 /nfs/dbraw/zinc/59/95/80/823599580.db2.gz HPKCRPPVWCPKSW-KRWDZBQOSA-N 1 0 392.286 4.299 20 0 GIADRO CC[C@H]([NH2+]CCC(=O)Nc1ccccc1Cl)c1ccc(OC)c(OC)c1 ZINC000411721223 823599907 /nfs/dbraw/zinc/59/99/07/823599907.db2.gz RTZXNNUFEPWRFW-INIZCTEOSA-N 1 0 376.884 4.427 20 0 GIADRO CC[NH+]1C[C@H](C)N(CCC(=O)Nc2ccccc2Oc2ccccc2)[C@@H](C)C1 ZINC000411722046 823600006 /nfs/dbraw/zinc/60/00/06/823600006.db2.gz PYHVDHHXOUJYSJ-OALUTQOASA-N 1 0 381.520 4.222 20 0 GIADRO CCCc1c(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)[nH]c(C)c1C(C)=O ZINC000061502595 823600065 /nfs/dbraw/zinc/60/00/65/823600065.db2.gz VJEHZGZVELENOW-OAQYLSRUSA-N 1 0 395.547 4.354 20 0 GIADRO CCOc1ccccc1OCC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000061503955 823600301 /nfs/dbraw/zinc/60/03/01/823600301.db2.gz QCVRLEBYCBBDDB-UHFFFAOYSA-N 1 0 396.531 4.157 20 0 GIADRO CCCN(CC[NH+]1CCCCC1)[C@H](C)c1nc2sc(C)c(C)c2c(=O)[nH]1 ZINC000411726098 823600413 /nfs/dbraw/zinc/60/04/13/823600413.db2.gz JIVKKODWAZMRNX-OAHLLOKOSA-N 1 0 376.570 4.273 20 0 GIADRO CCC[NH+]1CCC(NC(=O)c2cc(Cl)c(OCCC(C)C)c(OC)c2)CC1 ZINC000061510578 823600672 /nfs/dbraw/zinc/60/06/72/823600672.db2.gz IFPOSTWICZUVPT-UHFFFAOYSA-N 1 0 396.959 4.378 20 0 GIADRO CC(C)[NH+]1CCC(NCc2ccc(Br)c(Br)c2)CC1 ZINC000124500213 823601875 /nfs/dbraw/zinc/60/18/75/823601875.db2.gz JSQKJGVGIMBMGO-UHFFFAOYSA-N 1 0 390.163 4.174 20 0 GIADRO CCc1ccc(CNC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)s1 ZINC000061530333 823601883 /nfs/dbraw/zinc/60/18/83/823601883.db2.gz PPSLVCHXPVOIME-UHFFFAOYSA-N 1 0 391.968 4.428 20 0 GIADRO COc1cc([C@@H](C)[NH2+]CCC(=O)NC(c2ccccc2)c2ccccc2)ccn1 ZINC000411747220 823602088 /nfs/dbraw/zinc/60/20/88/823602088.db2.gz XURIQWHGDBEGPA-GOSISDBHSA-N 1 0 389.499 4.037 20 0 GIADRO Cc1c(F)cccc1NC(=O)CC[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000411754998 823602597 /nfs/dbraw/zinc/60/25/97/823602597.db2.gz YGSWRULLMNZVHV-TZIWHRDSSA-N 1 0 389.902 4.151 20 0 GIADRO CCOc1cccc(CNC(=O)NCc2ccccc2C[NH+]2CCCCC2)c1 ZINC000061553411 823603290 /nfs/dbraw/zinc/60/32/90/823603290.db2.gz UDPJMVDJMARQNN-UHFFFAOYSA-N 1 0 381.520 4.071 20 0 GIADRO Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+]CCn1c(C)nc2ccccc21 ZINC000061556700 823603622 /nfs/dbraw/zinc/60/36/22/823603622.db2.gz SJJZRBZZEWATHM-UHFFFAOYSA-N 1 0 397.885 4.421 20 0 GIADRO c1c(C[NH2+]C[C@H]2COc3ccccc3C2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000061556017 823603626 /nfs/dbraw/zinc/60/36/26/823603626.db2.gz RUSRIIGCZZPUGJ-IBGZPJMESA-N 1 0 396.494 4.275 20 0 GIADRO CC(C)[C@H]([NH2+]CCC(=O)Nc1ccccc1-c1ccccc1)C1(CO)CCC1 ZINC000411772683 823604103 /nfs/dbraw/zinc/60/41/03/823604103.db2.gz VLLLAZNKLRNJDD-QHCPKHFHSA-N 1 0 380.532 4.459 20 0 GIADRO CC(C)[C@H](CO)[C@@H]([NH2+]CCC(=O)Nc1c(Cl)cccc1Cl)C(C)C ZINC000411781871 823604292 /nfs/dbraw/zinc/60/42/92/823604292.db2.gz CXAUEZJJICIEFZ-GUYCJALGSA-N 1 0 375.340 4.201 20 0 GIADRO C[C@H]1C[C@H]1c1ccc(CCC(=O)NCC2CC[NH+](Cc3cccs3)CC2)o1 ZINC000061568449 823604455 /nfs/dbraw/zinc/60/44/55/823604455.db2.gz ASNMNJXNCLCZET-OXJNMPFZSA-N 1 0 386.561 4.426 20 0 GIADRO COc1cccc(NC(=O)CC[N@@H+]2CCCC[C@@H]2c2nc3ccccc3[nH]2)c1 ZINC000411786856 823604716 /nfs/dbraw/zinc/60/47/16/823604716.db2.gz DPCGWBWQKHSKKR-HXUWFJFHSA-N 1 0 378.476 4.127 20 0 GIADRO CN(C)C(=O)C1([NH2+]CCC(=O)Nc2ccccc2-c2ccccc2)CCCCC1 ZINC000411790137 823605012 /nfs/dbraw/zinc/60/50/12/823605012.db2.gz OTXMBQMTKGLAIK-UHFFFAOYSA-N 1 0 393.531 4.063 20 0 GIADRO CC(C)n1c2ccc(C(=O)N(C)[C@H]3CC[N@H+](C)[C@@H](C)C3)cc2nc1C(F)(F)F ZINC000124545205 823605079 /nfs/dbraw/zinc/60/50/79/823605079.db2.gz JUWATRUHUAKCKB-ZFWWWQNUSA-N 1 0 396.457 4.191 20 0 GIADRO Cc1cnc([C@H](NC(=O)[C@H](C)[NH+]2CCC(Cc3ccccc3)CC2)C2CC2)s1 ZINC000461254134 823605261 /nfs/dbraw/zinc/60/52/61/823605261.db2.gz ZGRCXLQXZDUSKO-LAUBAEHRSA-N 1 0 397.588 4.362 20 0 GIADRO Cc1nn(Cc2ccccc2Cl)c(Cl)c1C[NH2+]CCCOCC1CC1 ZINC000061580947 823605518 /nfs/dbraw/zinc/60/55/18/823605518.db2.gz QZKSHBKGYYTUOJ-UHFFFAOYSA-N 1 0 382.335 4.453 20 0 GIADRO CN(C(=O)c1cc2ccccc2s1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000124549947 823605712 /nfs/dbraw/zinc/60/57/12/823605712.db2.gz IWIXGFYFKDAZPI-UXHICEINSA-N 1 0 399.604 4.311 20 0 GIADRO CC(C)[C@@H]([NH2+]Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)[C@@H](CO)C(C)C ZINC000411799007 823605967 /nfs/dbraw/zinc/60/59/67/823605967.db2.gz YAGORHMFXIWBKB-OXJNMPFZSA-N 1 0 399.560 4.443 20 0 GIADRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@@H]1C[C@@]1(F)c1ccccc1 ZINC000411801040 823606012 /nfs/dbraw/zinc/60/60/12/823606012.db2.gz YKLYBTXSAKGNIK-SIKLNZKXSA-N 1 0 384.520 4.367 20 0 GIADRO COc1cc(C[NH2+][C@@H]2CCc3n[nH]cc3C2)ccc1OCc1ccc(Cl)cc1 ZINC000124565967 823606977 /nfs/dbraw/zinc/60/69/77/823606977.db2.gz PTCURSALXBOKCC-LJQANCHMSA-N 1 0 397.906 4.298 20 0 GIADRO Cc1ccc(-n2ncc(C(=O)N(C)CC[C@H]3CCCC[N@@H+]3C)c2C(C)C)cc1 ZINC000461260079 823607068 /nfs/dbraw/zinc/60/70/68/823607068.db2.gz GMBAXTOYOROEFU-LJQANCHMSA-N 1 0 382.552 4.251 20 0 GIADRO CCC[NH+]1CCN(C(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)CC1 ZINC000061637958 823607225 /nfs/dbraw/zinc/60/72/25/823607225.db2.gz VDILWOUWBKFPJQ-UHFFFAOYSA-N 1 0 398.359 4.214 20 0 GIADRO CCO[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000411812600 823607394 /nfs/dbraw/zinc/60/73/94/823607394.db2.gz YUIOJSCLIBLWIJ-KNKQGSTJSA-N 1 0 386.561 4.281 20 0 GIADRO Brc1ccccc1-c1noc([C@H]2CCC[N@@H+]2CC2CCOCC2)n1 ZINC000190781412 823608057 /nfs/dbraw/zinc/60/80/57/823608057.db2.gz JEWWQXFONIHGDJ-MRXNPFEDSA-N 1 0 392.297 4.063 20 0 GIADRO C[C@H]([NH2+]CCC(=O)Nc1cccc(C(F)(F)F)c1)c1nc2c(s1)CCC2 ZINC000411820893 823608447 /nfs/dbraw/zinc/60/84/47/823608447.db2.gz SVIHUBWMCKOGJL-NSHDSACASA-N 1 0 383.439 4.330 20 0 GIADRO C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000461264128 823608545 /nfs/dbraw/zinc/60/85/45/823608545.db2.gz NKWRNHVCBXIMCX-RXVVDRJESA-N 1 0 395.547 4.177 20 0 GIADRO CN(CCc1cccc2ccccc21)C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000411822500 823608757 /nfs/dbraw/zinc/60/87/57/823608757.db2.gz BDIQCEVPEYMWKI-OAQYLSRUSA-N 1 0 382.573 4.058 20 0 GIADRO CCCOc1ccc(Oc2ncccc2CNCc2cccc(OC)n2)cc1 ZINC000190788069 823609163 /nfs/dbraw/zinc/60/91/63/823609163.db2.gz MAYSHIBYTUCEGX-UHFFFAOYSA-N 1 0 379.460 4.356 20 0 GIADRO Cc1cc(-n2cccn2)ccc1NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000190793825 823609760 /nfs/dbraw/zinc/60/97/60/823609760.db2.gz RYMFVUQYZYSTTH-FQEVSTJZSA-N 1 0 393.491 4.122 20 0 GIADRO COc1ccc(C[NH+]2CCC([C@H](O)c3ccccc3)CC2)cc1OC(F)F ZINC000124597783 823609804 /nfs/dbraw/zinc/60/98/04/823609804.db2.gz SSNYXEMAYNHAKS-HXUWFJFHSA-N 1 0 377.431 4.242 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000461271600 823610062 /nfs/dbraw/zinc/61/00/62/823610062.db2.gz MFIXKSDVZDCNQI-QGZVFWFLSA-N 1 0 375.513 4.204 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCc3cc(F)cc(F)c3)cc2)C1 ZINC000061735411 823610212 /nfs/dbraw/zinc/61/02/12/823610212.db2.gz WZXCJIHLEUWLHU-MRXNPFEDSA-N 1 0 387.474 4.196 20 0 GIADRO CC(=O)[C@@H](C)CCCCC(=O)Nc1cc(C)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000190798526 823610320 /nfs/dbraw/zinc/61/03/20/823610320.db2.gz CUPQQABMDYVVQG-IBGZPJMESA-N 1 0 387.568 4.249 20 0 GIADRO c1csc(-c2nn(-c3ccccc3)cc2C[NH2+]CCCOC[C@@H]2CCCO2)c1 ZINC000061743523 823611191 /nfs/dbraw/zinc/61/11/91/823611191.db2.gz ADJHYBPUNHHOBF-FQEVSTJZSA-N 1 0 397.544 4.276 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)Nc2nnc(CC(C)C)s2)[NH+]2CCCC2)cc1 ZINC000061746508 823611366 /nfs/dbraw/zinc/61/13/66/823611366.db2.gz UZZZIECOERNQRJ-QGZVFWFLSA-N 1 0 387.553 4.004 20 0 GIADRO CCOc1cc(C[NH2+][C@H]2CC[C@H](OC)C2)cc(Br)c1OC(F)F ZINC000190943785 823628114 /nfs/dbraw/zinc/62/81/14/823628114.db2.gz LFEMINPRFNNWPZ-RYUDHWBXSA-N 1 0 394.256 4.106 20 0 GIADRO CC(=O)Nc1ccc(C)c(NC(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)c1 ZINC000061769018 823612912 /nfs/dbraw/zinc/61/29/12/823612912.db2.gz DKZNHNVKFOFFTA-QFIPXVFZSA-N 1 0 394.519 4.220 20 0 GIADRO Cc1cc(-n2cccn2)ccc1NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000190820419 823613012 /nfs/dbraw/zinc/61/30/12/823613012.db2.gz BXJUOSPEVDVJES-IBGZPJMESA-N 1 0 395.532 4.201 20 0 GIADRO CC[C@H](NC(=O)Nc1ccc(OCC[NH+](CC)CC)cc1)c1c(C)noc1C ZINC000124636548 823613136 /nfs/dbraw/zinc/61/31/36/823613136.db2.gz SVQNZOJMDLEMEQ-IBGZPJMESA-N 1 0 388.512 4.285 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H](C(=O)NC(C)C)C2)cc1Br ZINC000124645890 823613803 /nfs/dbraw/zinc/61/38/03/823613803.db2.gz KXLVKXRHEUYGMO-BPUTZDHNSA-N 1 0 397.357 4.192 20 0 GIADRO Cc1cc(-n2cccn2)ccc1NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000190829554 823613851 /nfs/dbraw/zinc/61/38/51/823613851.db2.gz XRCPIMNXQUVVTE-UHFFFAOYSA-N 1 0 395.551 4.301 20 0 GIADRO Cc1cc(-n2cccn2)ccc1NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000190829668 823613934 /nfs/dbraw/zinc/61/39/34/823613934.db2.gz HCCIYBBFHKTSHU-UHFFFAOYSA-N 1 0 381.524 4.099 20 0 GIADRO O=C(c1cccc(C[NH+]2CCCCC2)c1)N1CCO[C@H](c2ccccc2F)C1 ZINC000411933898 823615017 /nfs/dbraw/zinc/61/50/17/823615017.db2.gz DFDJFBCMHRJZGK-QFIPXVFZSA-N 1 0 382.479 4.025 20 0 GIADRO COc1ccc(OCc2nc(C[NH2+][C@@H](C)[C@](C)(OC)C3CC3)cs2)cc1 ZINC000411936465 823615202 /nfs/dbraw/zinc/61/52/02/823615202.db2.gz CGPRNEFUEDKPCW-XOBRGWDASA-N 1 0 376.522 4.024 20 0 GIADRO CO[C@@](C)([C@H](C)[NH2+]CC(=O)N[C@H](c1cccs1)c1ccc(C)cc1)C1CC1 ZINC000411937051 823615206 /nfs/dbraw/zinc/61/52/06/823615206.db2.gz CMAGZGVTEMRFRR-SSKFGXFMSA-N 1 0 386.561 4.055 20 0 GIADRO C[C@@H]1CSCC[N@H+](Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC000190841891 823615327 /nfs/dbraw/zinc/61/53/27/823615327.db2.gz FCHCTYQLWKLVRG-SFHVURJKSA-N 1 0 378.545 4.178 20 0 GIADRO Cc1cc(C[N@@H+]2C[C@@H](O)C[C@H]2c2ccccc2)nc(-c2ccc(Cl)cc2)n1 ZINC000411946648 823615864 /nfs/dbraw/zinc/61/58/64/823615864.db2.gz OMXJELWZVGJWMB-SFTDATJTSA-N 1 0 379.891 4.413 20 0 GIADRO Cc1ccc2oc(C(=O)N(C)[C@@H]3CCCC[C@@H]3[N@H+](C)C3CCN(C)CC3)cc2c1 ZINC000124676123 823616251 /nfs/dbraw/zinc/61/62/51/823616251.db2.gz WBNGSCSDWOPQKB-LEWJYISDSA-N 1 0 397.563 4.150 20 0 GIADRO CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccnn1C ZINC000124677035 823616290 /nfs/dbraw/zinc/61/62/90/823616290.db2.gz VFMKEHORCPFCKG-UHFFFAOYSA-N 1 0 398.338 4.103 20 0 GIADRO COCc1ccc(CNC(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)cc1 ZINC000061867690 823616834 /nfs/dbraw/zinc/61/68/34/823616834.db2.gz SOTUMFSAWGGGCZ-LJQANCHMSA-N 1 0 395.547 4.207 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)c2nnc(-c3ccc(C)o3)n2Cc2cccs2)C[C@@H]1C ZINC000461318697 823616908 /nfs/dbraw/zinc/61/69/08/823616908.db2.gz NUBGKTDLGZFFOS-DOTOQJQBSA-N 1 0 399.564 4.265 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)c2cc3ccccc3n2Cc2ccccc2F)CC[N@@H+]1C ZINC000124681692 823617000 /nfs/dbraw/zinc/61/70/00/823617000.db2.gz JWSXECJOKHABIV-XLIONFOSSA-N 1 0 393.506 4.383 20 0 GIADRO Cc1csc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1Br ZINC000190858543 823617234 /nfs/dbraw/zinc/61/72/34/823617234.db2.gz UDXQHTICQAPPNM-HNNXBMFYSA-N 1 0 393.350 4.386 20 0 GIADRO CO[C@](C)([C@@H](C)[NH2+]CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)C1CC1 ZINC000411973508 823617274 /nfs/dbraw/zinc/61/72/74/823617274.db2.gz RUOBLOQRKDJOOF-JDNHERCYSA-N 1 0 379.715 4.379 20 0 GIADRO CC[C@@H](NC(=O)C(=O)Nc1cccc(C[NH+](CC)CC)c1)c1ccc(C)cc1 ZINC000061883472 823617392 /nfs/dbraw/zinc/61/73/92/823617392.db2.gz BGMQAOJDKRBFAJ-OAQYLSRUSA-N 1 0 381.520 4.043 20 0 GIADRO CCN(C)c1ccc(C[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)cn1 ZINC000190878270 823618897 /nfs/dbraw/zinc/61/88/97/823618897.db2.gz XDPHDMRNKWUXOV-UHFFFAOYSA-N 1 0 389.425 4.032 20 0 GIADRO CCN(Cc1ccccc1)C(=O)[C@H](C)[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000411992968 823618935 /nfs/dbraw/zinc/61/89/35/823618935.db2.gz XXWHFFQQMFRWEK-NZQKXSOJSA-N 1 0 392.543 4.277 20 0 GIADRO C[C@H](Cc1ccco1)NC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000061939821 823619246 /nfs/dbraw/zinc/61/92/46/823619246.db2.gz YVJBQAXOZOCXTD-DNVCBOLYSA-N 1 0 375.900 4.000 20 0 GIADRO O=C(C[C@H](c1ccc(O)cc1)C1CC1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000411995429 823619348 /nfs/dbraw/zinc/61/93/48/823619348.db2.gz DGQRBLJTGQJQDO-XXBNENTESA-N 1 0 384.564 4.391 20 0 GIADRO CCCn1c(C(=O)N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc2ccccc21 ZINC000190884020 823619537 /nfs/dbraw/zinc/61/95/37/823619537.db2.gz HUKAFEVCHQKQGT-OALUTQOASA-N 1 0 397.563 4.013 20 0 GIADRO C[C@@H](c1ccco1)N(C)C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000124712016 823619755 /nfs/dbraw/zinc/61/97/55/823619755.db2.gz XWKNWWWKINLVHO-MAUKXSAKSA-N 1 0 375.900 4.473 20 0 GIADRO OC[C@@H]([NH2+]CCCC(c1ccc(F)cc1)c1ccc(F)cc1)[C@H]1CCCOC1 ZINC000412000272 823620207 /nfs/dbraw/zinc/62/02/07/823620207.db2.gz YQPBUMYAZLXMLK-WMZHIEFXSA-N 1 0 389.486 4.254 20 0 GIADRO Cc1nn(-c2cccc(F)c2)cc1C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000412002569 823620648 /nfs/dbraw/zinc/62/06/48/823620648.db2.gz USJIFWBEBWLUJC-LJQANCHMSA-N 1 0 398.526 4.048 20 0 GIADRO CCCC[C@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)c1ccc(OC)cc1 ZINC000412003255 823620852 /nfs/dbraw/zinc/62/08/52/823620852.db2.gz PGQYCNSLZZQDPT-FPOVZHCZSA-N 1 0 390.593 4.260 20 0 GIADRO Cc1cc(C)c(NC(=O)CCC[NH2+]C2(CO)C3CC4CC(C3)CC2C4)c(C)c1 ZINC000412003324 823620869 /nfs/dbraw/zinc/62/08/69/823620869.db2.gz POVBLOAAXSDARM-UHFFFAOYSA-N 1 0 384.564 4.107 20 0 GIADRO Cc1ccc(OC(F)F)c(CNC(=O)NC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000124727800 823621264 /nfs/dbraw/zinc/62/12/64/823621264.db2.gz DWYSLLRMMLWQFZ-UHFFFAOYSA-N 1 0 395.494 4.193 20 0 GIADRO Cc1c(-c2cc(C[NH2+][C@@H](c3ccccc3)C3(CO)CCCCC3)on2)cnn1C ZINC000412005584 823621307 /nfs/dbraw/zinc/62/13/07/823621307.db2.gz GEYMXEQQYCUWIB-QFIPXVFZSA-N 1 0 394.519 4.157 20 0 GIADRO O=C(c1ccccc1)N1CC[C@H](C[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)C1 ZINC000412006069 823621526 /nfs/dbraw/zinc/62/15/26/823621526.db2.gz BGVKAOJOMQNZHY-REWPJTCUSA-N 1 0 390.527 4.002 20 0 GIADRO CN(CCOc1ccc(C(F)(F)F)cc1)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000190901347 823621978 /nfs/dbraw/zinc/62/19/78/823621978.db2.gz HVCIXZPJANRTCM-UHFFFAOYSA-N 1 0 395.425 4.310 20 0 GIADRO CC(C)(C)C(=O)N1CCC(C[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)CC1 ZINC000412009060 823622071 /nfs/dbraw/zinc/62/20/71/823622071.db2.gz GCNAHXREOVNSAZ-NRFANRHFSA-N 1 0 384.564 4.125 20 0 GIADRO Cc1nc2sccn2c(=O)c1CC[N@@H+](C)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000412008004 823622080 /nfs/dbraw/zinc/62/20/80/823622080.db2.gz JYJJJOFNFIPGMT-VQTJNVASSA-N 1 0 381.545 4.265 20 0 GIADRO OCC1([C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)c2ccccc2)CCOCC1 ZINC000412011805 823622448 /nfs/dbraw/zinc/62/24/48/823622448.db2.gz VYUQPTCSMYQKGU-IBGZPJMESA-N 1 0 379.422 4.325 20 0 GIADRO OCC1([C@@H]([NH2+]CCOc2ccc3ccccc3c2)c2ccccc2)CCOCC1 ZINC000412011651 823622454 /nfs/dbraw/zinc/62/24/54/823622454.db2.gz VBFLBSXBHUBEGI-DEOSSOPVSA-N 1 0 391.511 4.339 20 0 GIADRO Cc1cc(F)c(Br)cc1NC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000190907520 823622778 /nfs/dbraw/zinc/62/27/78/823622778.db2.gz WTSBPBDBVVCDDI-UHFFFAOYSA-N 1 0 398.320 4.379 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@H]2CCCN(CC(C)(C)C)C2=O)cnn1-c1ccc(F)cc1 ZINC000461367541 823623874 /nfs/dbraw/zinc/62/38/74/823623874.db2.gz CKZAQUTZWPOYSP-YWZLYKJASA-N 1 0 386.515 4.008 20 0 GIADRO O=C1CCCN1[C@@H]1CCC[N@@H+](CCCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000412056338 823624575 /nfs/dbraw/zinc/62/45/75/823624575.db2.gz ODZICHOSZCMOTE-GOSISDBHSA-N 1 0 398.469 4.341 20 0 GIADRO Cc1ccnc(Oc2ccc(NC(=O)NCCCC[NH+]3CCC(C)CC3)cc2)n1 ZINC000124768392 823624621 /nfs/dbraw/zinc/62/46/21/823624621.db2.gz YKUQRPXANOMFCO-UHFFFAOYSA-N 1 0 397.523 4.211 20 0 GIADRO O=C(CCOc1ccc(Cl)cc1)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000062230128 823625015 /nfs/dbraw/zinc/62/50/15/823625015.db2.gz XXEILSNLWKSXCF-LJQANCHMSA-N 1 0 386.923 4.137 20 0 GIADRO O=C(CSc1ccc(Cl)cc1)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000062231431 823625283 /nfs/dbraw/zinc/62/52/83/823625283.db2.gz XPARXPIYLRWSSM-GOSISDBHSA-N 1 0 388.964 4.461 20 0 GIADRO Cc1ccc(OCCCC(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000062231479 823625356 /nfs/dbraw/zinc/62/53/56/823625356.db2.gz ULGUIWONOQZYKC-JOCHJYFZSA-N 1 0 380.532 4.182 20 0 GIADRO CC[NH+](CC)CCOc1ccc(NC(=O)N[C@H]2CCOC3(CCCC3)C2)cc1 ZINC000124778376 823625585 /nfs/dbraw/zinc/62/55/85/823625585.db2.gz LDRGDOIVBRNEHT-IBGZPJMESA-N 1 0 389.540 4.021 20 0 GIADRO C[C@@H](c1nc(-c2cccnc2)no1)[N@@H+]1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC000412078743 823626044 /nfs/dbraw/zinc/62/60/44/823626044.db2.gz UUASAZDYAZLBSZ-JKSUJKDBSA-N 1 0 386.496 4.027 20 0 GIADRO CC(C)(C)OC(=O)CC[C@H]1CCC[N@H+](Cc2cncn2Cc2ccccc2)C1 ZINC000412084219 823626251 /nfs/dbraw/zinc/62/62/51/823626251.db2.gz YOFBLCDPFSYHCP-HXUWFJFHSA-N 1 0 383.536 4.265 20 0 GIADRO CCc1ccc(Cl)c(CC)c1NC(=O)CCC[N@@H+]1CCC[C@@H](CO)[C@H]1C ZINC000412101129 823626593 /nfs/dbraw/zinc/62/65/93/823626593.db2.gz YGSLULOOXBEGHQ-WBVHZDCISA-N 1 0 380.960 4.276 20 0 GIADRO C[C@@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)Cn1ccnc1 ZINC000062254509 823626686 /nfs/dbraw/zinc/62/66/86/823626686.db2.gz MNWFLQJHFHHART-SFHVURJKSA-N 1 0 389.478 4.301 20 0 GIADRO CC[N@H+](C[C@@H](O)C(F)(F)F)[C@H]1CCSc2ccc(Br)cc21 ZINC000461382143 823626857 /nfs/dbraw/zinc/62/68/57/823626857.db2.gz AHGCBQOAWUTAQF-WCQYABFASA-N 1 0 384.261 4.231 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)c2scc(C)c2Br)CC1 ZINC000190940449 823627588 /nfs/dbraw/zinc/62/75/88/823627588.db2.gz XEDPTVHVDOGPGU-UHFFFAOYSA-N 1 0 387.387 4.403 20 0 GIADRO CC(C)(CCCc1ccccc1)CNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412116818 823627645 /nfs/dbraw/zinc/62/76/45/823627645.db2.gz VIADZEVECJWEEB-OAQYLSRUSA-N 1 0 388.621 4.369 20 0 GIADRO C[NH+](C)C1CCN(C(=O)c2cc(Cl)ccc2Oc2ccc(F)cc2)CC1 ZINC000124812186 823628089 /nfs/dbraw/zinc/62/80/89/823628089.db2.gz IKFDPZMNOJGRKP-UHFFFAOYSA-N 1 0 376.859 4.438 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(Br)cc2F)cc1 ZINC000124813048 823628226 /nfs/dbraw/zinc/62/82/26/823628226.db2.gz PQZIKRHOSUKVFS-GFCCVEGCSA-N 1 0 395.272 4.276 20 0 GIADRO COc1cc(OC)cc(N2CCC[N@H+](Cc3ccc(C(F)F)cc3)CC2)c1 ZINC000461391926 823628473 /nfs/dbraw/zinc/62/84/73/823628473.db2.gz UXSALXCLRKLTPD-UHFFFAOYSA-N 1 0 376.447 4.354 20 0 GIADRO Cc1ccnc(Oc2ccc(NC(=O)NC[C@H](c3cccs3)[NH+](C)C)cc2)n1 ZINC000124817556 823628571 /nfs/dbraw/zinc/62/85/71/823628571.db2.gz QHKXVIFWZAMEMK-QGZVFWFLSA-N 1 0 397.504 4.063 20 0 GIADRO CCOc1cc(C[NH2+]C2(c3ccc(F)cc3F)CCOCC2)ccc1OC ZINC000124819117 823628605 /nfs/dbraw/zinc/62/86/05/823628605.db2.gz MJHSAPNSKXRUKG-UHFFFAOYSA-N 1 0 377.431 4.168 20 0 GIADRO O=C(N[C@H](c1ccc(F)cc1)C1CCC1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412134558 823629043 /nfs/dbraw/zinc/62/90/43/823629043.db2.gz ZPZUBDNMNBDAMZ-UXHICEINSA-N 1 0 376.541 4.001 20 0 GIADRO COCCC[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1ccc(Br)cc1 ZINC000124824668 823629093 /nfs/dbraw/zinc/62/90/93/823629093.db2.gz ZXYVLHVOAZAVAL-OALUTQOASA-N 1 0 396.300 4.379 20 0 GIADRO COc1ccccc1CCN(C)Cc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000461396241 823629161 /nfs/dbraw/zinc/62/91/61/823629161.db2.gz KPVWPNHGWWBULU-UHFFFAOYSA-N 1 0 383.517 4.360 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@H](c1ccc(O)cc1)C1CC1 ZINC000412146231 823630103 /nfs/dbraw/zinc/63/01/03/823630103.db2.gz FHRRNFWEWYGQGG-RDPSFJRHSA-N 1 0 392.543 4.256 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000062373104 823630432 /nfs/dbraw/zinc/63/04/32/823630432.db2.gz XIQUMOCRWSJZGA-UHFFFAOYSA-N 1 0 385.817 4.353 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)Nc1cccc(Cl)c1F ZINC000062376719 823630896 /nfs/dbraw/zinc/63/08/96/823630896.db2.gz PQFVUXJKUBCENP-UHFFFAOYSA-N 1 0 385.817 4.353 20 0 GIADRO O[C@H](C[NH2+]Cc1ccccc1Oc1ccc(F)cc1Cl)COCC1CC1 ZINC000461409615 823630898 /nfs/dbraw/zinc/63/08/98/823630898.db2.gz XOCJONRGTYZWMC-QGZVFWFLSA-N 1 0 379.859 4.149 20 0 GIADRO CC[C@@H]1CN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC[C@@H]1c1ccccc1 ZINC000412156294 823631173 /nfs/dbraw/zinc/63/11/73/823631173.db2.gz JTDFFQYMENSMDJ-COPCDDAFSA-N 1 0 386.605 4.246 20 0 GIADRO C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412160053 823631641 /nfs/dbraw/zinc/63/16/41/823631641.db2.gz IXYBQXSCRPDNKD-XDBZFTIUSA-N 1 0 398.572 4.243 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000062383691 823631705 /nfs/dbraw/zinc/63/17/05/823631705.db2.gz COVLUROTCHHMFW-VCWRXUFXSA-N 1 0 385.552 4.450 20 0 GIADRO CO[C@@]1(C[NH2+]Cc2ccc(-c3ccccc3Br)s2)CCOC1 ZINC000461414810 823631737 /nfs/dbraw/zinc/63/17/37/823631737.db2.gz CVAWZAXDHSINOJ-QGZVFWFLSA-N 1 0 382.323 4.073 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+]CC(=O)N(CC)c2nc3ccccc3s2)cc1 ZINC000124863279 823632067 /nfs/dbraw/zinc/63/20/67/823632067.db2.gz OBEQAEOGXCFAHU-OAHLLOKOSA-N 1 0 383.517 4.399 20 0 GIADRO CCNc1ccc(Cl)cc1C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000190970822 823632451 /nfs/dbraw/zinc/63/24/51/823632451.db2.gz ZMYHBGYRTXDQLK-OAHLLOKOSA-N 1 0 386.927 4.122 20 0 GIADRO O=C(Nc1cccc(-n2cccn2)c1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000062399120 823632686 /nfs/dbraw/zinc/63/26/86/823632686.db2.gz RAQHUCVMUZJCOE-UHFFFAOYSA-N 1 0 381.524 4.039 20 0 GIADRO CCOc1ccc(NC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)cc1Cl ZINC000062400224 823632899 /nfs/dbraw/zinc/63/28/99/823632899.db2.gz CFWIVFXICXUMKV-UHFFFAOYSA-N 1 0 393.890 4.474 20 0 GIADRO COC(=O)C[C@](C)([NH2+]Cc1ccc(-c2ccccc2OC)cc1)c1ccncc1 ZINC000190974477 823633118 /nfs/dbraw/zinc/63/31/18/823633118.db2.gz OVXDIKICZZPMOB-DEOSSOPVSA-N 1 0 390.483 4.325 20 0 GIADRO O=C([C@@H]1SCCc2sccc21)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461422035 823633226 /nfs/dbraw/zinc/63/32/26/823633226.db2.gz IGHDVJQTKKKYRJ-WAOWUJCRSA-N 1 0 398.597 4.059 20 0 GIADRO CCc1ccc(CCC(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000461423434 823633434 /nfs/dbraw/zinc/63/34/34/823633434.db2.gz AKFTXPWUNQSIPV-DNQXCXABSA-N 1 0 376.544 4.162 20 0 GIADRO CCc1ccc(CCC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000461423436 823633447 /nfs/dbraw/zinc/63/34/47/823633447.db2.gz AKFTXPWUNQSIPV-ZEQRLZLVSA-N 1 0 376.544 4.162 20 0 GIADRO O=C(C[C@@H]1CCc2ccccc2C1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461423387 823633454 /nfs/dbraw/zinc/63/34/54/823633454.db2.gz ABZQYWYBSXNFIA-ZODMCCGTSA-N 1 0 388.555 4.162 20 0 GIADRO C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000461423244 823633472 /nfs/dbraw/zinc/63/34/72/823633472.db2.gz KBDPJTASCKTSBJ-CABCVRRESA-N 1 0 385.335 4.095 20 0 GIADRO CC(C)(C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)c1ccc(F)cc1 ZINC000461425179 823633799 /nfs/dbraw/zinc/63/37/99/823633799.db2.gz CMQRUAMFAIEPEW-WOJBJXKFSA-N 1 0 380.507 4.084 20 0 GIADRO C[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1ccc(OC(F)F)cc1OC(F)F ZINC000124886868 823633991 /nfs/dbraw/zinc/63/39/91/823633991.db2.gz HVZFKLZBOFIDQD-BMIGLBTASA-N 1 0 391.336 4.413 20 0 GIADRO O=C([C@@H]1CCC[C@H](C(F)(F)F)C1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461425452 823633949 /nfs/dbraw/zinc/63/39/49/823633949.db2.gz JCCDRVZKHGLUMG-FYQPLNBISA-N 1 0 394.481 4.336 20 0 GIADRO COc1ccc(Cl)c(NC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)c1 ZINC000062411607 823633970 /nfs/dbraw/zinc/63/39/70/823633970.db2.gz HWAUGLJLSHJULU-UHFFFAOYSA-N 1 0 379.863 4.083 20 0 GIADRO CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1 ZINC000062415167 823634286 /nfs/dbraw/zinc/63/42/86/823634286.db2.gz VXKBLVMPLOIGDF-OAHLLOKOSA-N 1 0 390.915 4.166 20 0 GIADRO O=C(CSc1cccc(C(F)(F)F)c1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000461426972 823634351 /nfs/dbraw/zinc/63/43/51/823634351.db2.gz LEWUXYUFEQIGDR-OAHLLOKOSA-N 1 0 386.483 4.132 20 0 GIADRO O=C(C1CCC(C(F)(F)F)CC1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461427774 823634728 /nfs/dbraw/zinc/63/47/28/823634728.db2.gz HNBAXJMLZKCXBH-NUVZVAJJSA-N 1 0 394.481 4.336 20 0 GIADRO CCOc1cc(Cl)ccc1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461427563 823634767 /nfs/dbraw/zinc/63/47/67/823634767.db2.gz KYXWXETXTMFFCI-MOPGFXCFSA-N 1 0 398.934 4.333 20 0 GIADRO CSc1cccc(F)c1C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461428851 823634932 /nfs/dbraw/zinc/63/49/32/823634932.db2.gz NUQAANVORNNVJS-ZWKOTPCHSA-N 1 0 384.520 4.142 20 0 GIADRO O=C(Nc1ccc(Cl)cn1)C1CC[NH+](C[C@@H]2CCC3(CCCCC3)O2)CC1 ZINC000190986714 823635042 /nfs/dbraw/zinc/63/50/42/823635042.db2.gz JJDUOERUDCPYNO-SFHVURJKSA-N 1 0 391.943 4.267 20 0 GIADRO CC(C)(C)c1ncsc1C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461430407 823635337 /nfs/dbraw/zinc/63/53/37/823635337.db2.gz QDWHUIIMKQBZCY-ROUUACIJSA-N 1 0 383.561 4.035 20 0 GIADRO COc1ccccc1[C@@H]1C[C@H]1C(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000412202618 823635415 /nfs/dbraw/zinc/63/54/15/823635415.db2.gz FFCQLBXLQXSICK-VGSGFSFPSA-N 1 0 392.543 4.216 20 0 GIADRO CCSc1cccc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000461431133 823635485 /nfs/dbraw/zinc/63/54/85/823635485.db2.gz QTTIWKRRZMRFJC-RTWAWAEBSA-N 1 0 380.557 4.393 20 0 GIADRO NC(=O)c1ccc(C[NH2+]Cc2ccccc2Oc2ccc(F)cc2Cl)cn1 ZINC000461430893 823635582 /nfs/dbraw/zinc/63/55/82/823635582.db2.gz RAQLHPRZBUQMET-UHFFFAOYSA-N 1 0 385.826 4.055 20 0 GIADRO C[N@H+](CCCC(c1ccc(F)cc1)c1ccc(F)cc1)C1(CO)CCOCC1 ZINC000190990883 823635637 /nfs/dbraw/zinc/63/56/37/823635637.db2.gz FPSKNBQKSXRRGC-UHFFFAOYSA-N 1 0 389.486 4.350 20 0 GIADRO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CCC[C@H]1CCCc1ccccc1 ZINC000412207198 823635685 /nfs/dbraw/zinc/63/56/85/823635685.db2.gz NXHAAMXKZVQZFC-FGZHOGPDSA-N 1 0 386.605 4.218 20 0 GIADRO COc1ccc([C@H](CNC(=O)C[C@@H](C)c2c(C)noc2C)[NH+]2CCCCC2)cc1 ZINC000124906951 823635728 /nfs/dbraw/zinc/63/57/28/823635728.db2.gz JYAIDGRALSENOE-IERDGZPVSA-N 1 0 399.535 4.137 20 0 GIADRO O=C(CCSc1ccc(F)cc1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461432608 823635899 /nfs/dbraw/zinc/63/58/99/823635899.db2.gz OMXVHKBVWDMEML-UXHICEINSA-N 1 0 398.547 4.288 20 0 GIADRO CC(C)N(C)c1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC000190994572 823636163 /nfs/dbraw/zinc/63/61/63/823636163.db2.gz WJCOAAVXYSZSJF-NOTZXAQLSA-N 1 0 378.564 4.211 20 0 GIADRO O=C(c1cccc2ccsc21)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461433232 823636299 /nfs/dbraw/zinc/63/62/99/823636299.db2.gz WHDAYLCBVIASKG-VQTJNVASSA-N 1 0 376.525 4.495 20 0 GIADRO CCC1(CNC(=O)[C@@H]2C[C@H]2c2cccc(O)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000412219310 823636805 /nfs/dbraw/zinc/63/68/05/823636805.db2.gz SYXHOHPCUBJHNI-XZOQPEGZSA-N 1 0 392.543 4.304 20 0 GIADRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)NCCc1c[nH]c2ccccc12 ZINC000062473867 823636871 /nfs/dbraw/zinc/63/68/71/823636871.db2.gz XSCSBGAQOSTWKG-UHFFFAOYSA-N 1 0 398.938 4.137 20 0 GIADRO O=C(Cc1ccc(Cl)c(F)c1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461436657 823637231 /nfs/dbraw/zinc/63/72/31/823637231.db2.gz PVGJLIMTXZVFNU-RTBURBONSA-N 1 0 386.898 4.002 20 0 GIADRO C#CCN(Cc1ccc(F)cc1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000062476572 823637333 /nfs/dbraw/zinc/63/73/33/823637333.db2.gz KMJHZJVBLFUTEM-UHFFFAOYSA-N 1 0 393.506 4.157 20 0 GIADRO Cc1ccc([C@H](NC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)C2CC2)cc1 ZINC000062477090 823637403 /nfs/dbraw/zinc/63/74/03/823637403.db2.gz DYOYYSISKLLVOH-QFIPXVFZSA-N 1 0 383.511 4.359 20 0 GIADRO O=C(c1ccc(OC2CCC2)cc1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461438339 823637529 /nfs/dbraw/zinc/63/75/29/823637529.db2.gz LEYICNZPFUTKKZ-FGZHOGPDSA-N 1 0 390.527 4.212 20 0 GIADRO O=C(c1coc2cc(F)ccc12)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461439373 823637639 /nfs/dbraw/zinc/63/76/39/823637639.db2.gz QZRLYNCJGKRPMP-ROUUACIJSA-N 1 0 378.447 4.166 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000412230854 823637937 /nfs/dbraw/zinc/63/79/37/823637937.db2.gz SJIBORVGLUGKHR-OAQYLSRUSA-N 1 0 393.531 4.101 20 0 GIADRO O=C(N[C@H](c1ccccc1)[C@@H]1CCOC1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412231491 823637950 /nfs/dbraw/zinc/63/79/50/823637950.db2.gz QBRHJIQJRJEJHL-DHIUTWEWSA-N 1 0 378.516 4.180 20 0 GIADRO O=C(Cc1c(F)cccc1Cl)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461440702 823638083 /nfs/dbraw/zinc/63/80/83/823638083.db2.gz CRTNRFDJBMGRGU-QZTJIDSGSA-N 1 0 386.898 4.002 20 0 GIADRO O=C(c1cc2c(s1)CCCC2)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461441272 823638305 /nfs/dbraw/zinc/63/83/05/823638305.db2.gz FMFPGJSWKREBPF-UXHICEINSA-N 1 0 380.557 4.221 20 0 GIADRO Cc1ccccc1OCCCC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461441774 823638324 /nfs/dbraw/zinc/63/83/24/823638324.db2.gz GJODUDYJCUCBPK-DHIUTWEWSA-N 1 0 392.543 4.135 20 0 GIADRO O=C(c1cc2c(s1)CCCC2)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461441274 823638339 /nfs/dbraw/zinc/63/83/39/823638339.db2.gz FMFPGJSWKREBPF-WOJBJXKFSA-N 1 0 380.557 4.221 20 0 GIADRO O=C(N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)C1(c2cccc(F)c2)CCC1 ZINC000461442248 823638503 /nfs/dbraw/zinc/63/85/03/823638503.db2.gz FGUYRXYWIVSFCV-LEWJYISDSA-N 1 0 392.518 4.228 20 0 GIADRO O=C([C@@H]1C[C@]1(F)c1ccccc1)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000412236424 823638531 /nfs/dbraw/zinc/63/85/31/823638531.db2.gz SXGMKKQONDLZAT-DHLKQENFSA-N 1 0 392.518 4.386 20 0 GIADRO COc1cc(C[N@H+](C)[C@H](C)c2ccc(F)c(F)c2)ccc1OC(=O)C1CC1 ZINC000124936009 823638553 /nfs/dbraw/zinc/63/85/53/823638553.db2.gz JVVUBORCHCTSBS-CYBMUJFWSA-N 1 0 375.415 4.482 20 0 GIADRO O=C(c1coc(C2CCCCC2)n1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461443123 823638626 /nfs/dbraw/zinc/63/86/26/823638626.db2.gz ILQOTTMJMXLNPP-LEWJYISDSA-N 1 0 393.531 4.316 20 0 GIADRO O=C(NC1CCC(c2ccc(F)cc2)CC1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412238501 823638712 /nfs/dbraw/zinc/63/87/12/823638712.db2.gz AHQOJWYLHQVRRQ-JITJBCMDSA-N 1 0 390.568 4.186 20 0 GIADRO C[C@H](C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)c1c(F)cccc1F ZINC000461444520 823638852 /nfs/dbraw/zinc/63/88/52/823638852.db2.gz IYLINSRBPYHHKJ-QXAKKESOSA-N 1 0 384.470 4.049 20 0 GIADRO O=C(COc1ccc(Cl)c2ccccc12)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000461443958 823638878 /nfs/dbraw/zinc/63/88/78/823638878.db2.gz PCFIRZJRXMVHKQ-QGZVFWFLSA-N 1 0 386.923 4.206 20 0 GIADRO Cc1cc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c2ccccc2n1 ZINC000461444545 823639108 /nfs/dbraw/zinc/63/91/08/823639108.db2.gz KZZWHHHSKQOGHQ-SFTDATJTSA-N 1 0 385.511 4.137 20 0 GIADRO Cc1c2cc(C)ccc2[nH]c1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461445766 823639310 /nfs/dbraw/zinc/63/93/10/823639310.db2.gz IHGSGWFVIWXMRR-RTWAWAEBSA-N 1 0 387.527 4.379 20 0 GIADRO CC(C)N1CCc2nc(NC(=O)c3cccc(C[NH+]4CCCCC4)c3)sc2C1 ZINC000412245924 823639355 /nfs/dbraw/zinc/63/93/55/823639355.db2.gz OBALPOJKGJTARQ-UHFFFAOYSA-N 1 0 398.576 4.148 20 0 GIADRO Cc1ccc2[nH]c(C(=O)N3C[C@@H]4C[N@@H+](Cc5ccccc5)CC[C@@H]4C3)cc2c1C ZINC000461446748 823639379 /nfs/dbraw/zinc/63/93/79/823639379.db2.gz NLNZXPAKUXRPOC-RTWAWAEBSA-N 1 0 387.527 4.379 20 0 GIADRO C[C@]1(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)CCc2ccccc2C1 ZINC000461446708 823639398 /nfs/dbraw/zinc/63/93/98/823639398.db2.gz DXQWVXUARZUFLH-GSLIJJQTSA-N 1 0 388.555 4.162 20 0 GIADRO O=C([C@@H]1C[C@@H]1c1cccc(Cl)c1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461447071 823639414 /nfs/dbraw/zinc/63/94/14/823639414.db2.gz DXTRTDWWYWKJST-OHUMZHCVSA-N 1 0 394.946 4.424 20 0 GIADRO C[C@H](CC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)c1cccc(F)c1 ZINC000461447974 823639607 /nfs/dbraw/zinc/63/96/07/823639607.db2.gz NFWACJXGYLLTGK-BVYCBKJFSA-N 1 0 380.507 4.300 20 0 GIADRO O=C(c1ccc(-n2cccc2)cc1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461448395 823639792 /nfs/dbraw/zinc/63/97/92/823639792.db2.gz UXFDPJVOFCOEDR-XZOQPEGZSA-N 1 0 385.511 4.071 20 0 GIADRO O=C(c1cc2ccc(Cl)cc2[nH]1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461453268 823640740 /nfs/dbraw/zinc/64/07/40/823640740.db2.gz ZKPAISRMJCCWGR-OALUTQOASA-N 1 0 393.918 4.415 20 0 GIADRO Cc1ccc(CCCC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000461453515 823640890 /nfs/dbraw/zinc/64/08/90/823640890.db2.gz YNUOTARDRKVQQZ-ZEQRLZLVSA-N 1 0 376.544 4.298 20 0 GIADRO O=C(Nc1ccc2cccc(Cl)c2n1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412260845 823641086 /nfs/dbraw/zinc/64/10/86/823641086.db2.gz WMMSTDQSSGSCNF-OAHLLOKOSA-N 1 0 375.925 4.044 20 0 GIADRO Cc1ccc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c(F)c1Cl ZINC000461455601 823641314 /nfs/dbraw/zinc/64/13/14/823641314.db2.gz LSUBKSFGSVNYJH-ROUUACIJSA-N 1 0 386.898 4.382 20 0 GIADRO Cc1c2cc(F)ccc2oc1C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461456283 823641463 /nfs/dbraw/zinc/64/14/63/823641463.db2.gz NXQHHMVVKPZGGH-OALUTQOASA-N 1 0 392.474 4.474 20 0 GIADRO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461458469 823641819 /nfs/dbraw/zinc/64/18/19/823641819.db2.gz UIXYWWBLFQWYPH-NCYKPQTJSA-N 1 0 380.557 4.141 20 0 GIADRO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461458467 823641847 /nfs/dbraw/zinc/64/18/47/823641847.db2.gz UIXYWWBLFQWYPH-BURNTYAHSA-N 1 0 380.557 4.141 20 0 GIADRO CC(C)[C@H](CNC(=O)Nc1nnc(-c2ccsc2)s1)[NH+]1CCC(C)CC1 ZINC000062641005 823642979 /nfs/dbraw/zinc/64/29/79/823642979.db2.gz MCPJLKNKAQKVPD-HNNXBMFYSA-N 1 0 393.582 4.145 20 0 GIADRO CCCCn1ncc(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c1CC ZINC000461467146 823643197 /nfs/dbraw/zinc/64/31/97/823643197.db2.gz MKHWSXCTTXWCOA-OAQYLSRUSA-N 1 0 396.579 4.278 20 0 GIADRO Cc1nc(CC(C)C)oc1C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000461467926 823643224 /nfs/dbraw/zinc/64/32/24/823643224.db2.gz WQYVCNRRCCYZJK-FQEVSTJZSA-N 1 0 383.536 4.214 20 0 GIADRO Cc1ccc([C@@H](C[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)N2CCCC2)cc1 ZINC000124992653 823643402 /nfs/dbraw/zinc/64/34/02/823643402.db2.gz XZBHVECSJUYDSM-AUSIDOKSSA-N 1 0 393.531 4.439 20 0 GIADRO CCc1c(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)[nH]c(C)c1C(C)=O ZINC000461471648 823643685 /nfs/dbraw/zinc/64/36/85/823643685.db2.gz FWGGHFAVKLBNFY-FQEVSTJZSA-N 1 0 395.547 4.120 20 0 GIADRO CC(C)[C@@H]1C[C@@H](CNC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)c2ccccc21 ZINC000412298903 823644350 /nfs/dbraw/zinc/64/43/50/823644350.db2.gz GTNYSHVYPJTFCL-IPJJNNNSSA-N 1 0 386.605 4.247 20 0 GIADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1nnc(-c2ccccc2)n1Cc1cccs1 ZINC000461477466 823644677 /nfs/dbraw/zinc/64/46/77/823644677.db2.gz FMYAWGFURRCQFR-MJGOQNOKSA-N 1 0 393.560 4.118 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)c2nnc(-c3ccccc3)n2Cc2cccs2)C[C@@H]1C ZINC000461478193 823644853 /nfs/dbraw/zinc/64/48/53/823644853.db2.gz IBDJBUVTYUSDKB-HKUYNNGSSA-N 1 0 395.576 4.364 20 0 GIADRO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CCC(c2cccc(Cl)c2)CC1 ZINC000412308156 823645065 /nfs/dbraw/zinc/64/50/65/823645065.db2.gz NPMRMOUCMGARFT-HXUWFJFHSA-N 1 0 392.996 4.264 20 0 GIADRO Cc1cc(C)cc(Oc2ccc(CNC(=S)NC3CC[NH+](C)CC3)cc2C)c1 ZINC000062863136 823645202 /nfs/dbraw/zinc/64/52/02/823645202.db2.gz GTRPPNFEQXFWAB-UHFFFAOYSA-N 1 0 397.588 4.462 20 0 GIADRO O=C(N[C@@H]1C[C@H]1c1ccc2ccccc2c1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412312220 823645494 /nfs/dbraw/zinc/64/54/94/823645494.db2.gz PFRWRXATRDCRRH-BHIFYINESA-N 1 0 380.557 4.029 20 0 GIADRO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2C(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000412316882 823645768 /nfs/dbraw/zinc/64/57/68/823645768.db2.gz NNEDQZKXQPXLTE-QQUTXWOLSA-N 1 0 384.564 4.074 20 0 GIADRO COc1ccc(OC)c([C@H](O)C[NH2+][C@H](C)c2sc(C(C)(C)C)nc2C)c1 ZINC000125022854 823645797 /nfs/dbraw/zinc/64/57/97/823645797.db2.gz FMRBZYWLQFUVQW-MLGOLLRUSA-N 1 0 378.538 4.150 20 0 GIADRO Cc1cccc(C)c1NC(=O)[C@H](C)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000125034868 823647048 /nfs/dbraw/zinc/64/70/48/823647048.db2.gz JNALVJOJCHZSHJ-FQEVSTJZSA-N 1 0 394.563 4.273 20 0 GIADRO C[C@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000191087792 823647232 /nfs/dbraw/zinc/64/72/32/823647232.db2.gz GVHOBURVXLFPRZ-VQIMIIECSA-N 1 0 397.485 4.469 20 0 GIADRO COc1cccc(CN(CC[NH+](C)C)C(=O)Nc2ccc(C)cc2Cl)c1 ZINC000191091074 823647593 /nfs/dbraw/zinc/64/75/93/823647593.db2.gz AGRBKCHXBBZSKX-UHFFFAOYSA-N 1 0 375.900 4.253 20 0 GIADRO CC[C@@H](C(=O)N[C@H](c1ccccc1OC(F)F)C(F)(F)F)[NH+](CC)CC ZINC000461496398 823648744 /nfs/dbraw/zinc/64/87/44/823648744.db2.gz IEQNADVLCHRBMW-GXTWGEPZSA-N 1 0 382.373 4.128 20 0 GIADRO Cc1ccc(-c2nnc(N(C)[C@@H]3CC[N@@H+](C4CC4)C3)n2Cc2cccs2)s1 ZINC000461503192 823649885 /nfs/dbraw/zinc/64/98/85/823649885.db2.gz PHZVQFMJSPPZLD-MRXNPFEDSA-N 1 0 399.589 4.098 20 0 GIADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc4noc(-c5ccc(F)cc5)c4c3)CC[C@@H]21 ZINC000125073138 823649907 /nfs/dbraw/zinc/64/99/07/823649907.db2.gz DOVAETKVCCRPHO-UWJYYQICSA-N 1 0 393.462 4.190 20 0 GIADRO Cc1cccc(C)c1OCCC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000063080328 823650387 /nfs/dbraw/zinc/65/03/87/823650387.db2.gz NBTXGYWKWAQWKE-UHFFFAOYSA-N 1 0 380.532 4.101 20 0 GIADRO Cc1nc2cc(F)ccc2cc1C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000063080643 823650430 /nfs/dbraw/zinc/65/04/30/823650430.db2.gz BEHWTWJAZREOOO-UHFFFAOYSA-N 1 0 391.490 4.324 20 0 GIADRO O=C(CCSc1ccc(F)cc1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000063081191 823650567 /nfs/dbraw/zinc/65/05/67/823650567.db2.gz ZZBJPBVDNWOOOJ-UHFFFAOYSA-N 1 0 386.536 4.336 20 0 GIADRO CC(C)C(=O)Nc1ccc(NC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000125085451 823650670 /nfs/dbraw/zinc/65/06/70/823650670.db2.gz YHBMDGGPXYVDCV-NRFANRHFSA-N 1 0 394.519 4.240 20 0 GIADRO COc1ccc([C@@H](C[NH2+][C@H](C)c2cnn(C(C)(C)C)c2C)N2CCCC2)cc1 ZINC000191121345 823651454 /nfs/dbraw/zinc/65/14/54/823651454.db2.gz VGGOZZSBWQYOMY-VGOFRKELSA-N 1 0 384.568 4.443 20 0 GIADRO O=C(c1cccc(C[NH+]2CCCCC2)c1)N1CCOC[C@@H]1c1ccc(F)cc1 ZINC000412391254 823652273 /nfs/dbraw/zinc/65/22/73/823652273.db2.gz LBPONZNCDQHZCR-JOCHJYFZSA-N 1 0 382.479 4.025 20 0 GIADRO S=C(NC1CC[NH+](Cc2ccccc2)CC1)N(Cc1cccs1)C1CC1 ZINC000063147743 823652893 /nfs/dbraw/zinc/65/28/93/823652893.db2.gz QOJSVBFKRWOFCY-UHFFFAOYSA-N 1 0 385.602 4.252 20 0 GIADRO CC(C)Oc1ccc(CNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000063147838 823652925 /nfs/dbraw/zinc/65/29/25/823652925.db2.gz HTEICSSYNLGORA-UHFFFAOYSA-N 1 0 397.588 4.103 20 0 GIADRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1sc(COc2ccc(F)cc2)nc1C ZINC000461544353 823656310 /nfs/dbraw/zinc/65/63/10/823656310.db2.gz PXHIREWMRAUTSI-AWEZNQCLSA-N 1 0 393.528 4.020 20 0 GIADRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cc(Cl)cc(F)c1Br ZINC000461547265 823656727 /nfs/dbraw/zinc/65/67/27/823656727.db2.gz YDRYFAGOIMEJOD-JTQLQIEISA-N 1 0 379.701 4.092 20 0 GIADRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cc(NC(=O)CC(C)C)ccc1Cl ZINC000461547765 823656744 /nfs/dbraw/zinc/65/67/44/823656744.db2.gz ZCSLMSJKHMNMHN-HNNXBMFYSA-N 1 0 381.948 4.175 20 0 GIADRO CCN(C)c1ccc(C[NH2+]Cc2cccnc2Oc2cccc(OC)c2)cn1 ZINC000191181753 823657114 /nfs/dbraw/zinc/65/71/14/823657114.db2.gz OLWQHVPDFLHMQK-UHFFFAOYSA-N 1 0 378.476 4.023 20 0 GIADRO Cc1cc(NC(=O)NC2(c3ccc(F)cc3)CCC2)ccc1N1CC[NH+](C)CC1 ZINC000063266848 823658580 /nfs/dbraw/zinc/65/85/80/823658580.db2.gz GSKKDXMWYWPYEH-UHFFFAOYSA-N 1 0 396.510 4.087 20 0 GIADRO Cc1nc(Cc2ccccc2)sc1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000063272393 823658671 /nfs/dbraw/zinc/65/86/71/823658671.db2.gz LWKLFHOIDZVONT-UHFFFAOYSA-N 1 0 397.588 4.427 20 0 GIADRO O=C(CCc1ccccc1Br)NC1CC[NH+](CC2CCCC2)CC1 ZINC000063272138 823658701 /nfs/dbraw/zinc/65/87/01/823658701.db2.gz OSMQCQPTSGFOOG-UHFFFAOYSA-N 1 0 393.369 4.153 20 0 GIADRO COc1ccc(C2(C[NH2+][C@H](C)c3cnn(C(C)(C)C)c3C)CCOCC2)cc1 ZINC000191207939 823659256 /nfs/dbraw/zinc/65/92/56/823659256.db2.gz LXIJGXLMKUEJTJ-QGZVFWFLSA-N 1 0 385.552 4.354 20 0 GIADRO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+](C)CCCNC(=O)OC(C)(C)C ZINC000125212269 823659522 /nfs/dbraw/zinc/65/95/22/823659522.db2.gz VIHNPORMBWNOHF-KRWDZBQOSA-N 1 0 391.556 4.292 20 0 GIADRO COC(=O)[C@H](C)c1cccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000412535084 823659947 /nfs/dbraw/zinc/65/99/47/823659947.db2.gz AICJWVDLQSFUFE-QGZVFWFLSA-N 1 0 380.488 4.201 20 0 GIADRO CCCc1ccc([C@H](C)[NH2+]Cc2ccccc2CS(=O)(=O)NC(C)C)cc1 ZINC000125219701 823660084 /nfs/dbraw/zinc/66/00/84/823660084.db2.gz PMLYCKXXPVGKGF-SFHVURJKSA-N 1 0 388.577 4.318 20 0 GIADRO C[NH+](C)CC1CCC(NC(=O)N(Cc2ccco2)Cc2cccs2)CC1 ZINC000125223941 823660264 /nfs/dbraw/zinc/66/02/64/823660264.db2.gz LXZDREKONWMCHQ-UHFFFAOYSA-N 1 0 375.538 4.173 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)NCc2ccc(Sc3ccccc3)cc2)CC[N@@H+]1C ZINC000125235416 823661022 /nfs/dbraw/zinc/66/10/22/823661022.db2.gz SEQMERSUASSXEF-HKUYNNGSSA-N 1 0 383.561 4.462 20 0 GIADRO O=C(NCCc1ccc(C(F)(F)F)cc1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000063321439 823662261 /nfs/dbraw/zinc/66/22/61/823662261.db2.gz BNBOIAGBCATWCL-UHFFFAOYSA-N 1 0 397.485 4.202 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2C)o1 ZINC000412560090 823662356 /nfs/dbraw/zinc/66/23/56/823662356.db2.gz ATDMVGJHLOZWGG-NRSFXHEJSA-N 1 0 398.503 4.094 20 0 GIADRO Cc1ccc(NC(=O)C2CC[NH+](Cc3ccc(OCC4CC4)cc3)CC2)nc1 ZINC000191242248 823662556 /nfs/dbraw/zinc/66/25/56/823662556.db2.gz YCDFCFKJIQUATR-UHFFFAOYSA-N 1 0 379.504 4.030 20 0 GIADRO C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000412563080 823662738 /nfs/dbraw/zinc/66/27/38/823662738.db2.gz YPNWXCKOMOGIMD-LBPRGKRZSA-N 1 0 384.373 4.312 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000412566975 823663078 /nfs/dbraw/zinc/66/30/78/823663078.db2.gz WFYDPYVZVKGLIX-UHFFFAOYSA-N 1 0 383.275 4.195 20 0 GIADRO CC(=O)c1oc2cc(C)ccc2c1CC(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000412567420 823663086 /nfs/dbraw/zinc/66/30/86/823663086.db2.gz CZPHRRUWGNNLOE-UHFFFAOYSA-N 1 0 382.435 4.326 20 0 GIADRO Cc1c([C@H](C)[NH2+]C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cnn1C(C)(C)C ZINC000191251626 823663474 /nfs/dbraw/zinc/66/34/74/823663474.db2.gz NMOXPAXXKQAIDQ-DOTOQJQBSA-N 1 0 378.561 4.244 20 0 GIADRO Cc1noc(C)c1[C@@H](C)C(=O)OC[C@H]1CCC[N@H+](Cc2cc(F)ccc2F)C1 ZINC000125281945 823664685 /nfs/dbraw/zinc/66/46/85/823664685.db2.gz HSEMDRZWWCZXFC-CJNGLKHVSA-N 1 0 392.446 4.129 20 0 GIADRO FC(F)(F)c1ccc2c(c1)nccc2NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000125294760 823665732 /nfs/dbraw/zinc/66/57/32/823665732.db2.gz UIGSIBKCKZDRGO-AWEZNQCLSA-N 1 0 379.426 4.166 20 0 GIADRO Cc1oc(C)c(C(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1C ZINC000125320591 823667519 /nfs/dbraw/zinc/66/75/19/823667519.db2.gz HIFPEFUWNBQXIQ-HNAYVOBHSA-N 1 0 378.875 4.420 20 0 GIADRO O=C(N[C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412615907 823667553 /nfs/dbraw/zinc/66/75/53/823667553.db2.gz UWIAMRNSQRZUEV-MISYRCLQSA-N 1 0 392.996 4.310 20 0 GIADRO COc1ccc2cc(CNC(=O)N3CCC(CCC[NH+](C)C)CC3)ccc2c1 ZINC000125343825 823669494 /nfs/dbraw/zinc/66/94/94/823669494.db2.gz UBPOSHFHANZSIC-UHFFFAOYSA-N 1 0 383.536 4.112 20 0 GIADRO CCN(CCC[NH+](C)C)C(=O)Nc1ccccc1CN1CCc2ccccc21 ZINC000191306845 823669709 /nfs/dbraw/zinc/66/97/09/823669709.db2.gz HGFMZWUTOYUIAT-UHFFFAOYSA-N 1 0 380.536 4.055 20 0 GIADRO COc1ccc([C@H](O)C[NH2+][C@H](C)c2cnn(-c3cccc(Cl)c3)c2C)cc1 ZINC000125359619 823670517 /nfs/dbraw/zinc/67/05/17/823670517.db2.gz WUJZFOWEAAPIHW-SPLOXXLWSA-N 1 0 385.895 4.227 20 0 GIADRO CCCN(CCC[NH+](C)C)C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000191315734 823670747 /nfs/dbraw/zinc/67/07/47/823670747.db2.gz PBTZWQIVXNLVJI-QGZVFWFLSA-N 1 0 397.947 4.093 20 0 GIADRO Cc1ccc(NC(=O)COc2ccc(OCC[NH+]3CCCCC3)cc2)cc1F ZINC000063457409 823672584 /nfs/dbraw/zinc/67/25/84/823672584.db2.gz UCFOYAIETSJEJQ-UHFFFAOYSA-N 1 0 386.467 4.016 20 0 GIADRO O=C(NCc1ccc(Cl)s1)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000063464034 823673205 /nfs/dbraw/zinc/67/32/05/823673205.db2.gz GYTAMJWDOHUYNO-INIZCTEOSA-N 1 0 377.941 4.113 20 0 GIADRO CC[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000063464015 823673252 /nfs/dbraw/zinc/67/32/52/823673252.db2.gz NWCJCIRJMGVOEG-VXKWHMMOSA-N 1 0 379.548 4.392 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc(OC(F)F)cc1)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000125400276 823673358 /nfs/dbraw/zinc/67/33/58/823673358.db2.gz DADWRIZURAHEEI-IHRRRGAJSA-N 1 0 380.410 4.344 20 0 GIADRO COc1ccc(C)cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000125402172 823673514 /nfs/dbraw/zinc/67/35/14/823673514.db2.gz AGYMVJABBOZEJH-ZIAGYGMSSA-N 1 0 378.419 4.283 20 0 GIADRO O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000412679792 823674186 /nfs/dbraw/zinc/67/41/86/823674186.db2.gz RWSNGYUGEQRTJL-LEWJYISDSA-N 1 0 384.589 4.000 20 0 GIADRO COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000125412298 823674224 /nfs/dbraw/zinc/67/42/24/823674224.db2.gz JQOPLPVIUNTEOA-SOUVJXGZSA-N 1 0 392.446 4.213 20 0 GIADRO Cc1cccc(C[N@@H+](Cc2ccccn2)C[C@@H](O)COCc2ccccc2F)c1 ZINC000125413192 823674300 /nfs/dbraw/zinc/67/43/00/823674300.db2.gz MGXGEFRQMQKECM-HSZRJFAPSA-N 1 0 394.490 4.109 20 0 GIADRO CC[C@H](C(=O)Nc1ccccc1CN(C)C(=O)c1cccs1)[NH+](CC)CC ZINC000461651034 823675094 /nfs/dbraw/zinc/67/50/94/823675094.db2.gz LBCKMBMLXBFUPM-GOSISDBHSA-N 1 0 387.549 4.079 20 0 GIADRO OC[C@H]([NH2+]Cc1ccc(OCC2CC2)cc1)c1cccc(Br)c1 ZINC000191354275 823675555 /nfs/dbraw/zinc/67/55/55/823675555.db2.gz TUEWHWIFMAVIOQ-IBGZPJMESA-N 1 0 376.294 4.061 20 0 GIADRO Cc1cccc(C)c1OC[C@@H](O)C[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000063525529 823677638 /nfs/dbraw/zinc/67/76/38/823677638.db2.gz HLHDRTZUVHSKSX-INIZCTEOSA-N 1 0 385.838 4.088 20 0 GIADRO CC[C@H](C)n1ncc(C(=O)Nc2cccc(OCCC[NH+](C)C)c2)c1C1CC1 ZINC000125458181 823677751 /nfs/dbraw/zinc/67/77/51/823677751.db2.gz JJKIVWOKKPBAEL-INIZCTEOSA-N 1 0 384.524 4.314 20 0 GIADRO CCc1nc(C[NH2+]CC2(c3cc(Cl)ccc3OC)CCOCC2)cs1 ZINC000063551958 823679118 /nfs/dbraw/zinc/67/91/18/823679118.db2.gz MEPVYZGEYHZGGJ-UHFFFAOYSA-N 1 0 380.941 4.206 20 0 GIADRO COc1ccc(CNC(=S)NCc2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000063565260 823679749 /nfs/dbraw/zinc/67/97/49/823679749.db2.gz BZZIZTXRGALQDR-UHFFFAOYSA-N 1 0 397.588 4.236 20 0 GIADRO C[C@H](NC(=O)c1cccnc1SCc1ccc(F)cc1)C(C)(C)C[NH+](C)C ZINC000461683402 823680625 /nfs/dbraw/zinc/68/06/25/823680625.db2.gz ICHMQCTWRFDSEV-HNNXBMFYSA-N 1 0 389.540 4.219 20 0 GIADRO CCCOc1ncccc1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000063579054 823680630 /nfs/dbraw/zinc/68/06/30/823680630.db2.gz YPWWZYVUHOEYAG-UHFFFAOYSA-N 1 0 399.498 4.408 20 0 GIADRO CCCOc1c(Cl)cc(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1OCC ZINC000461686713 823681271 /nfs/dbraw/zinc/68/12/71/823681271.db2.gz HNYBIPIUQLRPDX-AWEZNQCLSA-N 1 0 384.948 4.234 20 0 GIADRO C[C@@H]([NH2+][C@H](C)C1CCOCC1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000125506118 823681396 /nfs/dbraw/zinc/68/13/96/823681396.db2.gz OZUCYULWEGWRNR-GHMZBOCLSA-N 1 0 378.822 4.091 20 0 GIADRO C[C@H]([NH2+][C@@H](C)C1CCOCC1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000125505486 823681403 /nfs/dbraw/zinc/68/14/03/823681403.db2.gz OZUCYULWEGWRNR-QWRGUYRKSA-N 1 0 378.822 4.091 20 0 GIADRO CCCC(=O)Nc1cccc(NC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000125538260 823683527 /nfs/dbraw/zinc/68/35/27/823683527.db2.gz LPKKLCADOPSUGK-NRFANRHFSA-N 1 0 394.519 4.211 20 0 GIADRO COc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H]2c2ccc(C)c(C)c2)cc1F ZINC000063619454 823683580 /nfs/dbraw/zinc/68/35/80/823683580.db2.gz RXLIQEMQUUWGEQ-NRFANRHFSA-N 1 0 384.495 4.247 20 0 GIADRO Cc1c([C@@H](C)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)cnn1C(C)C ZINC000191426998 823684065 /nfs/dbraw/zinc/68/40/65/823684065.db2.gz NPXHAHLIOANQKV-GOSISDBHSA-N 1 0 381.568 4.478 20 0 GIADRO Fc1cccc(Cl)c1CC[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000125546143 823684091 /nfs/dbraw/zinc/68/40/91/823684091.db2.gz XWSGZUNBXDGOCZ-HNNXBMFYSA-N 1 0 376.907 4.219 20 0 GIADRO C[C@@H](NC(=O)c1cn(Cc2ccccc2)c2ccccc12)C(C)(C)C[NH+](C)C ZINC000461710761 823685851 /nfs/dbraw/zinc/68/58/51/823685851.db2.gz IHHCLOKDUZJGQM-GOSISDBHSA-N 1 0 377.532 4.396 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CNc1ccccc1Cl ZINC000063645575 823686397 /nfs/dbraw/zinc/68/63/97/823686397.db2.gz KLIVBJMWGUOYIV-QGZVFWFLSA-N 1 0 385.939 4.443 20 0 GIADRO CC[NH+](CC)CCN(CC(C)C)C(=S)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000063670011 823687992 /nfs/dbraw/zinc/68/79/92/823687992.db2.gz GPHBNRBGCUGLAJ-UHFFFAOYSA-N 1 0 387.496 4.005 20 0 GIADRO CC[N@@H+]1CCC[C@H]1CNC(=S)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000063673017 823688144 /nfs/dbraw/zinc/68/81/44/823688144.db2.gz ODQMHSVRGSYHRM-SFHVURJKSA-N 1 0 380.517 4.121 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)N[C@@H](COC)c2cccc(Cl)c2)CC1 ZINC000461729961 823688562 /nfs/dbraw/zinc/68/85/62/823688562.db2.gz JNSQSSARMZEYGX-FQEVSTJZSA-N 1 0 395.975 4.181 20 0 GIADRO COc1ccc(C[NH2+][C@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)cc1OC(F)F ZINC000125601087 823689083 /nfs/dbraw/zinc/68/90/83/823689083.db2.gz UNYAGLJJHNQIPX-GFCCVEGCSA-N 1 0 390.430 4.377 20 0 GIADRO CCCn1ccnc1CCC[N@H+](C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000191482450 823689836 /nfs/dbraw/zinc/68/98/36/823689836.db2.gz BNXGPSHFNOMBJX-UHFFFAOYSA-N 1 0 383.323 4.103 20 0 GIADRO Clc1ccc(C[NH+]2CCC(N[C@@H](c3ncc[nH]3)c3ccccc3)CC2)cc1 ZINC000125615866 823690243 /nfs/dbraw/zinc/69/02/43/823690243.db2.gz ZJLQYOGUQCYKGZ-OAQYLSRUSA-N 1 0 380.923 4.407 20 0 GIADRO C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(OC2CCCCC2)CC1)c1ccc(F)cc1 ZINC000125616165 823690261 /nfs/dbraw/zinc/69/02/61/823690261.db2.gz QUIRLFUWVFSUPT-SJORKVTESA-N 1 0 376.516 4.205 20 0 GIADRO Brc1cccc([C@@H]([NH2+]C2CCN(C3CC3)CC2)C2CCOCC2)c1 ZINC000191490202 823690551 /nfs/dbraw/zinc/69/05/51/823690551.db2.gz HRJXBJSSGKVAOW-FQEVSTJZSA-N 1 0 393.369 4.133 20 0 GIADRO COc1ccc(C[NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)cn1 ZINC000191492035 823690874 /nfs/dbraw/zinc/69/08/74/823690874.db2.gz KGZUPLDOVOFHGI-IBGZPJMESA-N 1 0 391.309 4.110 20 0 GIADRO CCc1nc2c(s1)[C@@H]([NH2+]C[C@H](O)c1ccc(OC(F)(F)F)cc1)CCC2 ZINC000125628208 823691385 /nfs/dbraw/zinc/69/13/85/823691385.db2.gz MOAREQSFZIKTBL-ZFWWWQNUSA-N 1 0 386.439 4.305 20 0 GIADRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000063724811 823691913 /nfs/dbraw/zinc/69/19/13/823691913.db2.gz AFPNGRASMMBJEF-UHFFFAOYSA-N 1 0 377.941 4.410 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(CN3CCO[C@@H](C)C3)c1)CCS2 ZINC000191501356 823692146 /nfs/dbraw/zinc/69/21/46/823692146.db2.gz GKLNJYQJQFLUSZ-HTAPYJJXSA-N 1 0 398.572 4.243 20 0 GIADRO O=C1OCC[C@H]1CC[NH+]1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000125637717 823692237 /nfs/dbraw/zinc/69/22/37/823692237.db2.gz NHDBETSYQQSSJD-IFMALSPDSA-N 1 0 398.934 4.000 20 0 GIADRO CC[C@H](C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)C1CCC(C)CC1 ZINC000461759917 823692791 /nfs/dbraw/zinc/69/27/91/823692791.db2.gz SFPNSCANUXQHCS-XWEVFREBSA-N 1 0 386.580 4.112 20 0 GIADRO CCCn1ccnc1CCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(Cl)c1C ZINC000191508332 823693221 /nfs/dbraw/zinc/69/32/21/823693221.db2.gz JVFBCPQPRKUOGD-INIZCTEOSA-N 1 0 376.932 4.147 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000063745870 823693280 /nfs/dbraw/zinc/69/32/80/823693280.db2.gz VGBWINXXUBRTKX-UHFFFAOYSA-N 1 0 394.563 4.217 20 0 GIADRO CN1CC[C@H](C[NH2+]Cc2nccn2-c2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000191510316 823693640 /nfs/dbraw/zinc/69/36/40/823693640.db2.gz HJOPXSGQXDFMLU-VGSWGCGISA-N 1 0 398.913 4.447 20 0 GIADRO C[C@@H](CN[C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1)C[NH+]1CCCCC1 ZINC000125653192 823693681 /nfs/dbraw/zinc/69/36/81/823693681.db2.gz CUFPIXVCUXGMHV-OALUTQOASA-N 1 0 392.609 4.176 20 0 GIADRO C[C@@H](NC[C@H](C)C[NH+]1CCCCC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000125653504 823693736 /nfs/dbraw/zinc/69/37/36/823693736.db2.gz CUFPIXVCUXGMHV-RBUKOAKNSA-N 1 0 392.609 4.176 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)CCc2ccc(-c3ccccc3)[nH]2)C1 ZINC000063758809 823693991 /nfs/dbraw/zinc/69/39/91/823693991.db2.gz JAMSSVGTRSVMJV-BGYRXZFFSA-N 1 0 381.564 4.489 20 0 GIADRO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1cccc(NC(=O)OC(C)(C)C)c1 ZINC000063771810 823694749 /nfs/dbraw/zinc/69/47/49/823694749.db2.gz XVKRIKXGQRPXSV-UHFFFAOYSA-N 1 0 389.540 4.370 20 0 GIADRO CCCn1ccnc1CCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)cc1C ZINC000191519570 823694769 /nfs/dbraw/zinc/69/47/69/823694769.db2.gz LWCAPVXFMZLHSG-MRXNPFEDSA-N 1 0 376.932 4.147 20 0 GIADRO COc1ccc2c(c1)[C@@H]([NH2+]CCC1CCN(CC(F)(F)F)CC1)CCS2 ZINC000191522134 823694936 /nfs/dbraw/zinc/69/49/36/823694936.db2.gz LXNVTKIFNSPMAB-KRWDZBQOSA-N 1 0 388.499 4.486 20 0 GIADRO COc1ccc(CC[NH2+]Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)c(OC)c1 ZINC000063776268 823695051 /nfs/dbraw/zinc/69/50/51/823695051.db2.gz KOOMRTAHEZPWLY-UHFFFAOYSA-N 1 0 399.922 4.492 20 0 GIADRO CC(=O)NC1CCC([NH2+]CC2(c3cc(C(F)(F)F)ccc3Cl)CC2)CC1 ZINC000191524120 823695173 /nfs/dbraw/zinc/69/51/73/823695173.db2.gz QXYQTQMIPQVBPS-UHFFFAOYSA-N 1 0 388.861 4.427 20 0 GIADRO COc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccc(C)nc1-n1cc(Cl)cn1 ZINC000191525223 823695325 /nfs/dbraw/zinc/69/53/25/823695325.db2.gz UFERYZIHHADPMT-FQEVSTJZSA-N 1 0 382.895 4.405 20 0 GIADRO Cc1cccc(NC2CC[NH+](C[C@@H](O)COCc3ccccc3Cl)CC2)c1 ZINC000125670635 823695349 /nfs/dbraw/zinc/69/53/49/823695349.db2.gz NGTUVZAJVPBLRU-OAQYLSRUSA-N 1 0 388.939 4.102 20 0 GIADRO COc1ccc([C@H](C)[NH2+]Cc2ccc(C)nc2-n2cc(Cl)cn2)c(OC)c1 ZINC000191526659 823695582 /nfs/dbraw/zinc/69/55/82/823695582.db2.gz ZHZKIDMMAUFPHA-AWEZNQCLSA-N 1 0 386.883 4.097 20 0 GIADRO CCC[C@H](CC)[NH2+][C@H](c1ccc(OC)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000125676881 823695835 /nfs/dbraw/zinc/69/58/35/823695835.db2.gz RBYBBCZLUGWION-GHTZIAJQSA-N 1 0 375.534 4.356 20 0 GIADRO CC[NH+]1CCC(N[C@@H](C)c2cccc(NC(=O)Cc3ccccc3F)c2)CC1 ZINC000461790975 823695868 /nfs/dbraw/zinc/69/58/68/823695868.db2.gz LDWLWRVSSVSJGC-KRWDZBQOSA-N 1 0 383.511 4.142 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C)nc1-n1cc(Cl)cn1)CCCO2 ZINC000191530665 823696162 /nfs/dbraw/zinc/69/61/62/823696162.db2.gz PSRBPCBWKYIWBM-LJQANCHMSA-N 1 0 398.894 4.241 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=S)Nc1ccccc1 ZINC000063790051 823696440 /nfs/dbraw/zinc/69/64/40/823696440.db2.gz JGRPTUXOIAXAHO-UHFFFAOYSA-N 1 0 392.366 4.210 20 0 GIADRO COc1ccc(C[C@H](C)[NH2+][C@H](C)c2nc(-c3cccc(F)c3)no2)cc1OC ZINC000191532488 823696488 /nfs/dbraw/zinc/69/64/88/823696488.db2.gz SHSGEXHDZSBDOW-UONOGXRCSA-N 1 0 385.439 4.175 20 0 GIADRO Cn1c(SCc2ccc(C[NH+]3CCCCC3)cc2)nnc1-c1ccncc1 ZINC000412980746 823696746 /nfs/dbraw/zinc/69/67/46/823696746.db2.gz STBIRJRBVMAAKB-UHFFFAOYSA-N 1 0 379.533 4.155 20 0 GIADRO Cc1ccc(C[NH2+][C@H]2CCCOc3cc(F)ccc32)c(-n2cc(Cl)cn2)n1 ZINC000191534811 823696856 /nfs/dbraw/zinc/69/68/56/823696856.db2.gz PPLOZFITAGQEHO-SFHVURJKSA-N 1 0 386.858 4.372 20 0 GIADRO COc1ccc2c(c1)[C@@H]([NH2+][C@H](CO)c1cccc(Br)c1)CCS2 ZINC000191534908 823696887 /nfs/dbraw/zinc/69/68/87/823696887.db2.gz PHSNYCOCKZTSRW-DLBZAZTESA-N 1 0 394.334 4.318 20 0 GIADRO Cc1cccc(C[NH2+][C@@H](C)CC(=O)Nc2cccnc2Cl)c1Br ZINC000191538374 823697394 /nfs/dbraw/zinc/69/73/94/823697394.db2.gz WXLWNTDCRSPLBU-LBPRGKRZSA-N 1 0 396.716 4.313 20 0 GIADRO CC1(C)C[C@@H]([NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)CCO1 ZINC000191537686 823697403 /nfs/dbraw/zinc/69/74/03/823697403.db2.gz OQTNZBBIXDCPJQ-ZWKOTPCHSA-N 1 0 382.342 4.464 20 0 GIADRO COc1cc(CNC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)ccc1C ZINC000063799644 823697973 /nfs/dbraw/zinc/69/79/73/823697973.db2.gz FGKVCHXPJAXBGC-UHFFFAOYSA-N 1 0 395.547 4.379 20 0 GIADRO COc1ccc(Cc2nnc(SC[C@@H]3CCCC[N@@H+]3C(C)C)o2)cc1OC ZINC000412990856 823698517 /nfs/dbraw/zinc/69/85/17/823698517.db2.gz HAXYUNWSIRHPMW-INIZCTEOSA-N 1 0 391.537 4.033 20 0 GIADRO OCC[C@@H]([NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1)c1ccco1 ZINC000191549465 823698587 /nfs/dbraw/zinc/69/85/87/823698587.db2.gz IPRJGRFGCVIKIQ-IEBWSBKVSA-N 1 0 394.309 4.223 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+]C[C@]1(O)CCC[C@H](C(F)(F)F)C1)CCS2 ZINC000191549896 823698594 /nfs/dbraw/zinc/69/85/94/823698594.db2.gz KTRNGIQVMTYEQK-MJEQTWJJSA-N 1 0 375.456 4.305 20 0 GIADRO COC(=O)COc1ccccc1[C@H](C)[NH2+]Cc1ccc(C(F)(F)F)cc1C ZINC000191555232 823699074 /nfs/dbraw/zinc/69/90/74/823699074.db2.gz CHVVZQMVGPTXCA-AWEZNQCLSA-N 1 0 381.394 4.416 20 0 GIADRO Cc1ccc([C@H]2CCCN2C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)cc1C ZINC000063816461 823699262 /nfs/dbraw/zinc/69/92/62/823699262.db2.gz ZYUYTHZWXKWNHS-XMMPIXPASA-N 1 0 391.559 4.028 20 0 GIADRO CCOC(=O)c1csc(CC[NH2+][C@@H](c2ccccc2)c2ccc(OC)cc2)n1 ZINC000191559407 823699602 /nfs/dbraw/zinc/69/96/02/823699602.db2.gz QOXLLLOJIQZDGF-NRFANRHFSA-N 1 0 396.512 4.250 20 0 GIADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)C2(c3cccc(Cl)c3)CCOCC2)C1 ZINC000063822333 823699585 /nfs/dbraw/zinc/69/95/85/823699585.db2.gz MWVPOOHOMKLHHT-GOSISDBHSA-N 1 0 392.971 4.017 20 0 GIADRO CCOC(=O)c1csc(CC[NH2+][C@H]2CCCOc3c(C)cc(Cl)cc32)n1 ZINC000191563160 823700136 /nfs/dbraw/zinc/70/01/36/823700136.db2.gz JEEKHECGPVGQSO-HNNXBMFYSA-N 1 0 394.924 4.328 20 0 GIADRO CCOC(=O)N1CCC([NH2+][C@@H](C)c2ccc(SC(F)F)c(OC)c2)CC1 ZINC000125722799 823700443 /nfs/dbraw/zinc/70/04/43/823700443.db2.gz WOESWCIRIXFQOE-LBPRGKRZSA-N 1 0 388.480 4.281 20 0 GIADRO CCOC(=O)c1csc(C2CC[NH+](CCSc3ccccc3F)CC2)n1 ZINC000191565433 823700509 /nfs/dbraw/zinc/70/05/09/823700509.db2.gz LFLXGPNBZXHGCR-UHFFFAOYSA-N 1 0 394.537 4.431 20 0 GIADRO COc1cccc(-c2noc([C@H](C)NC3CC[NH+]([C@H]4CCC[C@@H](C)C4)CC3)n2)c1 ZINC000191565035 823700574 /nfs/dbraw/zinc/70/05/74/823700574.db2.gz QHPXQIOPXPLRPJ-UWVAXJGDSA-N 1 0 398.551 4.439 20 0 GIADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)C1 ZINC000063836613 823700646 /nfs/dbraw/zinc/70/06/46/823700646.db2.gz AHQRVYAVVWDKKO-SFHVURJKSA-N 1 0 389.499 4.469 20 0 GIADRO COc1cccc(-c2noc([C@@H](C)NC3CC[NH+](C4CCCCC4)CC3)n2)c1 ZINC000191567301 823701056 /nfs/dbraw/zinc/70/10/56/823701056.db2.gz FOUXSADSNXOJMS-MRXNPFEDSA-N 1 0 384.524 4.193 20 0 GIADRO C[N@H+](Cc1ccc(F)c2cccnc12)[C@H](CO)c1cccc(Br)c1 ZINC000125730903 823701271 /nfs/dbraw/zinc/70/12/71/823701271.db2.gz GGQZQBAJLOBAIR-GOSISDBHSA-N 1 0 389.268 4.302 20 0 GIADRO Cc1c([C@H](C)NC[C@@H]2CCC[N@@H+](C(C)C)C2)nnn1-c1cccc(Cl)c1 ZINC000125731814 823701440 /nfs/dbraw/zinc/70/14/40/823701440.db2.gz GMXUKBBNJONQOF-RDJZCZTQSA-N 1 0 375.948 4.000 20 0 GIADRO CCCCN(C(=O)c1ccc(C(=O)NC2CC2)cc1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000163319250 823701561 /nfs/dbraw/zinc/70/15/61/823701561.db2.gz RLADNRDYKRUYLZ-UHFFFAOYSA-N 1 0 399.579 4.130 20 0 GIADRO CC[C@H](CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)CC(F)(F)F ZINC000413051826 823701762 /nfs/dbraw/zinc/70/17/62/823701762.db2.gz XEMJBMJDQCDLCD-LSDHHAIUSA-N 1 0 375.435 4.084 20 0 GIADRO C[C@H]([NH2+]CC1CCS(=O)(=O)CC1)c1ccc(-c2c(F)cccc2F)cc1 ZINC000574324718 823702877 /nfs/dbraw/zinc/70/28/77/823702877.db2.gz QZDHJSHAEHXQBJ-AWEZNQCLSA-N 1 0 379.472 4.107 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)CNc1cc(Cl)ccc1OC)c1ccsc1 ZINC000063863170 823703585 /nfs/dbraw/zinc/70/35/85/823703585.db2.gz RKJUZYRMITYAHI-KRWDZBQOSA-N 1 0 395.956 4.021 20 0 GIADRO CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F ZINC000163354997 823703582 /nfs/dbraw/zinc/70/35/82/823703582.db2.gz YZQWINRSMJSYLU-CZUORRHYSA-N 1 0 385.430 4.161 20 0 GIADRO C[C@H]1C[C@H](CCNC(=O)c2cnccc2C(F)(F)F)C[N@@H+]1Cc1ccccc1 ZINC000574336672 823704557 /nfs/dbraw/zinc/70/45/57/823704557.db2.gz HVHXIHMZEDHZSM-RDJZCZTQSA-N 1 0 391.437 4.131 20 0 GIADRO CO[C@@H](c1ccccc1Cl)[C@H](C)NC(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000574341390 823705064 /nfs/dbraw/zinc/70/50/64/823705064.db2.gz FWTXPSUZBQBSAG-OXJNMPFZSA-N 1 0 395.975 4.178 20 0 GIADRO CCc1c(NC(=O)NC2CC[NH+](C(C)C)CC2)cnn1-c1ccccc1Cl ZINC000191591724 823705691 /nfs/dbraw/zinc/70/56/91/823705691.db2.gz LTMLZWFRYOFSHA-UHFFFAOYSA-N 1 0 389.931 4.082 20 0 GIADRO CC(C)CC(=O)N1CCC([NH2+][C@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000163419386 823707732 /nfs/dbraw/zinc/70/77/32/823707732.db2.gz LXTBPLMCENVTTO-SFHVURJKSA-N 1 0 397.332 4.202 20 0 GIADRO COc1ccc(C[C@H](C)C[NH2+][C@H](C)c2nc(Cc3ccccc3)no2)cc1F ZINC000191597403 823707849 /nfs/dbraw/zinc/70/78/49/823707849.db2.gz LYPKDAHYLOTBLP-JKSUJKDBSA-N 1 0 383.467 4.338 20 0 GIADRO COc1ccc(CN(C)C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)cc1Cl ZINC000413104828 823707859 /nfs/dbraw/zinc/70/78/59/823707859.db2.gz HMYKWYVZAPHPCH-INIZCTEOSA-N 1 0 381.948 4.002 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)N1Cc2ccc(C(C)=O)cc2C1)c1ccsc1 ZINC000413112567 823709096 /nfs/dbraw/zinc/70/90/96/823709096.db2.gz VQGYSEXZPLMCKS-HXUWFJFHSA-N 1 0 385.533 4.059 20 0 GIADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000125782696 823709385 /nfs/dbraw/zinc/70/93/85/823709385.db2.gz AIBHTKOEFLDEKQ-SFHVURJKSA-N 1 0 398.532 4.055 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000413117099 823709884 /nfs/dbraw/zinc/70/98/84/823709884.db2.gz XDDRHNAGBYQLJB-RBBKRZOGSA-N 1 0 399.579 4.204 20 0 GIADRO COC(=O)COc1c(C)cc(C[NH2+]Cc2ccc(-c3ccccc3)o2)cc1C ZINC000063915564 823711009 /nfs/dbraw/zinc/71/10/09/823711009.db2.gz CUQFUMYPRHNRFC-UHFFFAOYSA-N 1 0 379.456 4.405 20 0 GIADRO COCCCOc1cccc(C[NH2+]CCc2cc(Br)ccc2F)c1 ZINC000063916570 823711046 /nfs/dbraw/zinc/71/10/46/823711046.db2.gz DPJDALNMERISKG-UHFFFAOYSA-N 1 0 396.300 4.336 20 0 GIADRO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OCC3CC3)cc2)c2ccc(F)cc2C1 ZINC000191608300 823711198 /nfs/dbraw/zinc/71/11/98/823711198.db2.gz UOHJHMZGHIJBJN-HSZRJFAPSA-N 1 0 382.479 4.198 20 0 GIADRO C[NH+](C)CCc1ccc(NCc2csc(-c3ccc4c(c3)OCO4)n2)cc1 ZINC000125798891 823713507 /nfs/dbraw/zinc/71/35/07/823713507.db2.gz JLSYKJGUCSLOJX-UHFFFAOYSA-N 1 0 381.501 4.255 20 0 GIADRO O=C(N[C@H]1CC[C@H](c2ccc(Cl)cc2)C1)NC1CC[NH+](CC2CC2)CC1 ZINC000413137438 823713625 /nfs/dbraw/zinc/71/36/25/823713625.db2.gz LQMMRCCBSXFUPL-PXNSSMCTSA-N 1 0 375.944 4.150 20 0 GIADRO Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCC[N@@H+]1CCC(=O)N1CCCCC1 ZINC000125804194 823715483 /nfs/dbraw/zinc/71/54/83/823715483.db2.gz MYHDKSCBPKYEPB-QGZVFWFLSA-N 1 0 380.964 4.040 20 0 GIADRO COCc1c(C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)sc2cccc(F)c21 ZINC000163496918 823715932 /nfs/dbraw/zinc/71/59/32/823715932.db2.gz CIRLPVFTOURSQB-HNNXBMFYSA-N 1 0 392.540 4.285 20 0 GIADRO Cc1cc(Sc2nnc([C@H]3CCC[NH2+]C3)n2C2CC2)nc(-c2cccs2)n1 ZINC000413151067 823716659 /nfs/dbraw/zinc/71/66/59/823716659.db2.gz WGALSDFYBBQIQR-ZDUSSCGKSA-N 1 0 398.561 4.058 20 0 GIADRO Brc1ccc2c(c1)[C@H]([NH2+]CCCOC[C@H]1CCCO1)CCS2 ZINC000163508242 823716819 /nfs/dbraw/zinc/71/68/19/823716819.db2.gz UGZTYPJUSNJTGD-GDBMZVCRSA-N 1 0 386.355 4.161 20 0 GIADRO Clc1ccc(-c2cnc(NC3CC[NH+](C[C@H]4CCOC4)CC3)s2)cc1 ZINC000413158804 823718712 /nfs/dbraw/zinc/71/87/12/823718712.db2.gz SFXSIIFSJMEVOE-CQSZACIVSA-N 1 0 377.941 4.376 20 0 GIADRO Cc1cc(C)c(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)[nH]1 ZINC000125818449 823718787 /nfs/dbraw/zinc/71/87/87/823718787.db2.gz XZOAVSLXYHVCFS-QFBILLFUSA-N 1 0 393.453 4.463 20 0 GIADRO Cc1cc(C)c(C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)[nH]1 ZINC000125818653 823718844 /nfs/dbraw/zinc/71/88/44/823718844.db2.gz XZOAVSLXYHVCFS-VQIMIIECSA-N 1 0 393.453 4.463 20 0 GIADRO CC(C)(C)OC(=O)CC[N@H+](Cc1ccc(OC(F)F)cc1)C1CCOCC1 ZINC000574396825 823719178 /nfs/dbraw/zinc/71/91/78/823719178.db2.gz JFGVOXVPQDEPTM-UHFFFAOYSA-N 1 0 385.451 4.001 20 0 GIADRO CCCCOc1ccc(C[NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1Cl ZINC000191632449 823719485 /nfs/dbraw/zinc/71/94/85/823719485.db2.gz AOKRQUCYDBAPSJ-CQSZACIVSA-N 1 0 396.940 4.017 20 0 GIADRO COCc1ccc(C[NH+]2CCC(c3noc(-c4ccccc4OC)n3)CC2)cc1 ZINC000191632522 823719637 /nfs/dbraw/zinc/71/96/37/823719637.db2.gz ZDECWDKRLBAGIN-UHFFFAOYSA-N 1 0 393.487 4.271 20 0 GIADRO CCOC(=O)C1(C(=O)c2ccccc2)CC[NH+](C[C@@H]2CCC3(CCCC3)O2)CC1 ZINC000574399228 823719701 /nfs/dbraw/zinc/71/97/01/823719701.db2.gz ZTOMJCKTIIMRNV-FQEVSTJZSA-N 1 0 399.531 4.006 20 0 GIADRO CSc1cc(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)ccc1F ZINC000163563697 823722478 /nfs/dbraw/zinc/72/24/78/823722478.db2.gz NLHIWYMYNPYEFV-KBXCAEBGSA-N 1 0 378.538 4.422 20 0 GIADRO O=C1[C@@H]([NH2+]C2CCC(C(F)(F)F)CC2)CCCN1Cc1ccc(F)cc1F ZINC000191644818 823722530 /nfs/dbraw/zinc/72/25/30/823722530.db2.gz VWSUGBJRYRTIKI-PGEKIEPBSA-N 1 0 390.396 4.167 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@H]2CCc3c2cccc3F)ccc1S(=O)(=O)C(F)F ZINC000163583787 823724936 /nfs/dbraw/zinc/72/49/36/823724936.db2.gz HXDAKPMSWANBLO-BZNIZROVSA-N 1 0 399.434 4.169 20 0 GIADRO COc1ccc2[nH+]c3c(c(N4CCC(O)(C(F)(F)F)CC4)c2c1)CCCC3 ZINC000413200581 823726801 /nfs/dbraw/zinc/72/68/01/823726801.db2.gz FETZKUJNQILFNZ-UHFFFAOYSA-N 1 0 380.410 4.016 20 0 GIADRO Cc1cc(=O)n2nc(C[N@H+]3CCCC[C@H]3c3ccc(C(C)C)cc3)sc2n1 ZINC000125848272 823727810 /nfs/dbraw/zinc/72/78/10/823727810.db2.gz CKCWMRPTURGNSS-SFHVURJKSA-N 1 0 382.533 4.310 20 0 GIADRO C[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ncc(-c2ccccc2)o1 ZINC000125853711 823729098 /nfs/dbraw/zinc/72/90/98/823729098.db2.gz XNZINEMNHBOXLR-WIYYLYMNSA-N 1 0 389.499 4.431 20 0 GIADRO O[C@@H](COc1cc(Cl)ccc1Cl)C[NH+]1CCC(c2ccncc2)CC1 ZINC000191674426 823729116 /nfs/dbraw/zinc/72/91/16/823729116.db2.gz QKWAHRHVDKPUQC-QGZVFWFLSA-N 1 0 381.303 4.008 20 0 GIADRO C[C@@H](C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000413218767 823730710 /nfs/dbraw/zinc/73/07/10/823730710.db2.gz BKWIXKVNNVKVBI-IVSAIRAKSA-N 1 0 380.916 4.098 20 0 GIADRO [NH3+]Cc1ccccc1OCC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000574443521 823731956 /nfs/dbraw/zinc/73/19/56/823731956.db2.gz NGEJOORFQXLAMG-KRWDZBQOSA-N 1 0 379.287 4.195 20 0 GIADRO CC[C@@H](CNC(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1)CC(F)(F)F ZINC000413221347 823732139 /nfs/dbraw/zinc/73/21/39/823732139.db2.gz SZBQEGYPTZJLTG-CABCVRRESA-N 1 0 375.435 4.003 20 0 GIADRO COc1cc(Br)ccc1[C@H](C)NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000574444332 823732549 /nfs/dbraw/zinc/73/25/49/823732549.db2.gz YPRIOBXVZCAAOE-GUYCJALGSA-N 1 0 391.309 4.115 20 0 GIADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000574444331 823732649 /nfs/dbraw/zinc/73/26/49/823732649.db2.gz YPRIOBXVZCAAOE-DYVFJYSZSA-N 1 0 391.309 4.115 20 0 GIADRO CC[C@H]1c2ccsc2CCN1C(=O)CC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000461876155 823733832 /nfs/dbraw/zinc/73/38/32/823733832.db2.gz GLZAQBLDZYVEET-NRFANRHFSA-N 1 0 397.588 4.105 20 0 GIADRO CCCOCc1ccccc1C[NH2+][C@H](C)c1ccc(NS(=O)(=O)CC)cc1 ZINC000163662764 823733885 /nfs/dbraw/zinc/73/38/85/823733885.db2.gz UUHMIKNKQNFDML-QGZVFWFLSA-N 1 0 390.549 4.226 20 0 GIADRO CCN(CCC[NH+](C)C)C(=O)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F ZINC000191689656 823734965 /nfs/dbraw/zinc/73/49/65/823734965.db2.gz YKUDYNXMXQBUQH-CQSZACIVSA-N 1 0 399.379 4.292 20 0 GIADRO O=C(c1ccc(Oc2ccncc2)c(Cl)c1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000574455590 823735102 /nfs/dbraw/zinc/73/51/02/823735102.db2.gz FFRLBVZOCMSILV-APWZRJJASA-N 1 0 385.895 4.132 20 0 GIADRO Cc1[nH+]ccc(NCc2ccccc2OCc2cccnc2)c1Br ZINC000574459309 823735442 /nfs/dbraw/zinc/73/54/42/823735442.db2.gz JBGWCUVTDOSNQW-UHFFFAOYSA-N 1 0 384.277 4.161 20 0 GIADRO CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)c2cccc(C[NH+]3CCCC3)c2)c1 ZINC000064026653 823735997 /nfs/dbraw/zinc/73/59/97/823735997.db2.gz LOSGVOOCILRGKA-GOSISDBHSA-N 1 0 393.531 4.197 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)N(C)Cc1ccc(Cl)nc1 ZINC000125889971 823738314 /nfs/dbraw/zinc/73/83/14/823738314.db2.gz JAQRFLAXUOIVFG-UHFFFAOYSA-N 1 0 390.915 4.120 20 0 GIADRO Cn1ncc(C[NH2+]C(C)(C)c2ccc(OC(F)(F)F)cc2)c1C(F)(F)F ZINC000191696169 823738457 /nfs/dbraw/zinc/73/84/57/823738457.db2.gz RETCKJHZQQMAFW-UHFFFAOYSA-N 1 0 381.320 4.362 20 0 GIADRO CC(C)c1c(NC(=O)N2CC[NH+](C(C)C)CC2)cnn1-c1ccc(Cl)cc1 ZINC000191698468 823739492 /nfs/dbraw/zinc/73/94/92/823739492.db2.gz HXRMMEOXBYTUGU-UHFFFAOYSA-N 1 0 389.931 4.207 20 0 GIADRO C[C@H]([NH2+]CCN(C)c1ccccc1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000125906695 823741127 /nfs/dbraw/zinc/74/11/27/823741127.db2.gz SAZFMDOTXXTFMD-SFHVURJKSA-N 1 0 386.561 4.190 20 0 GIADRO CC[C@@H](Cc1ccc(C)cc1)[NH2+][C@@H](c1nccn1C)c1cc(OC)cc(OC)c1 ZINC000461892718 823741273 /nfs/dbraw/zinc/74/12/73/823741273.db2.gz YNGFMYYSGFOOQD-NZQKXSOJSA-N 1 0 393.531 4.446 20 0 GIADRO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]Cc1cccc(CN2CCOCC2)c1 ZINC000163722180 823741493 /nfs/dbraw/zinc/74/14/93/823741493.db2.gz RRKHFQCNSMTPEM-MSOLQXFVSA-N 1 0 395.572 4.410 20 0 GIADRO O=C(Nc1ccc(-n2ccnc2)c(F)c1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000461894040 823741625 /nfs/dbraw/zinc/74/16/25/823741625.db2.gz KGBAOFGSNIDLGU-NRFANRHFSA-N 1 0 378.451 4.005 20 0 GIADRO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@H](CN1CCOCC1)c1ccccc1 ZINC000163724384 823742180 /nfs/dbraw/zinc/74/21/80/823742180.db2.gz YNILKMGPMWYGJF-QFBILLFUSA-N 1 0 387.593 4.473 20 0 GIADRO c1ccc2c(c1)OC1(CCC1)C[C@H]2[NH2+]Cc1cccc(CN2CCOCC2)c1 ZINC000163730518 823742832 /nfs/dbraw/zinc/74/28/32/823742832.db2.gz BHGKNJCJMAMXAT-JOCHJYFZSA-N 1 0 378.516 4.055 20 0 GIADRO C[C@@H]([NH2+][C@@H](CN1CCOCC1)c1ccccc1)c1ccc(F)cc1OC(F)F ZINC000163741501 823744021 /nfs/dbraw/zinc/74/40/21/823744021.db2.gz ZAZLOLRTMMGFGA-BEFAXECRSA-N 1 0 394.437 4.151 20 0 GIADRO C[C@H](O)[C@](C)(C[NH2+]Cc1ccc(OCc2ccncc2)cc1)Cc1ccccc1 ZINC000191714614 823744783 /nfs/dbraw/zinc/74/47/83/823744783.db2.gz CWWPWCHEQCGVIM-CPJSRVTESA-N 1 0 390.527 4.380 20 0 GIADRO Cn1c2ccccc2nc1[C@@H](NC[C@@H](O)c1cccc(F)c1)c1ccccc1 ZINC000125926978 823746167 /nfs/dbraw/zinc/74/61/67/823746167.db2.gz YGYVYAWBTLCYGA-YADHBBJMSA-N 1 0 375.447 4.125 20 0 GIADRO COc1ccc(Cc2nc(C)c([C@@H](C)[NH2+][C@H](C)[C@H](C)OC)s2)cc1OC ZINC000574490000 823746152 /nfs/dbraw/zinc/74/61/52/823746152.db2.gz FYSXQLUTFJXRNN-NFAWXSAZSA-N 1 0 378.538 4.134 20 0 GIADRO CC(C)(CC(F)F)C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC000413294395 823747203 /nfs/dbraw/zinc/74/72/03/823747203.db2.gz IEUDBYSDUYYPPN-UHFFFAOYSA-N 1 0 381.467 4.121 20 0 GIADRO C[C@@H](C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cccc(Br)c1 ZINC000461905325 823747538 /nfs/dbraw/zinc/74/75/38/823747538.db2.gz ZKPFCASYVFEEOS-BRWVUGGUSA-N 1 0 395.385 4.427 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1cccc(Cl)c1Cl ZINC000163774054 823747451 /nfs/dbraw/zinc/74/74/51/823747451.db2.gz BZGOCHSZIWMKPA-CYBMUJFWSA-N 1 0 381.303 4.311 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000163793698 823749296 /nfs/dbraw/zinc/74/92/96/823749296.db2.gz BFZTWIVFDJWRGJ-PKTZIBPZSA-N 1 0 395.547 4.248 20 0 GIADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Nc2cccc(Cl)c2Br)C1 ZINC000191734711 823750953 /nfs/dbraw/zinc/75/09/53/823750953.db2.gz NTLXKSBWEKORSR-LBPRGKRZSA-N 1 0 388.737 4.202 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCSC3(CCC3)CC2)[C@H]1c1cccs1 ZINC000413319072 823751309 /nfs/dbraw/zinc/75/13/09/823751309.db2.gz CLLUEIYAJYUHPG-WMZOPIPTSA-N 1 0 393.622 4.202 20 0 GIADRO C[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)CC(F)(F)F ZINC000413319461 823751357 /nfs/dbraw/zinc/75/13/57/823751357.db2.gz DDKLKHDJXQLOMN-KCQAQPDRSA-N 1 0 377.476 4.019 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCSC3(CCC3)CC2)[C@@H]1c1cccs1 ZINC000413319070 823751375 /nfs/dbraw/zinc/75/13/75/823751375.db2.gz CLLUEIYAJYUHPG-FUHWJXTLSA-N 1 0 393.622 4.202 20 0 GIADRO O=[N+]([O-])c1ccc2oc(=S)n(CN3CC[NH+](CC4CCCCC4)CC3)c2c1 ZINC000064127862 823751524 /nfs/dbraw/zinc/75/15/24/823751524.db2.gz AJSUMMMBPIDWKU-UHFFFAOYSA-N 1 0 390.509 4.027 20 0 GIADRO COc1cc([C@@H](C)[NH2+]CCc2c[nH]c3ccc(Br)cc23)c(F)cn1 ZINC000574507582 823751703 /nfs/dbraw/zinc/75/17/03/823751703.db2.gz ZQIOXYUVVXCXKS-LLVKDONJSA-N 1 0 392.272 4.366 20 0 GIADRO Cc1ccc(-n2cnn(CN3CC[NH+](CC4CCCCC4)CC3)c2=S)c(C)c1 ZINC000064128281 823751872 /nfs/dbraw/zinc/75/18/72/823751872.db2.gz HMZKJIDDQPXIFM-UHFFFAOYSA-N 1 0 399.608 4.176 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)Nc1c(C)cccc1F)[NH+]1CCCCC1 ZINC000461914600 823752061 /nfs/dbraw/zinc/75/20/61/823752061.db2.gz QEPKURREXPYOOU-LJQANCHMSA-N 1 0 385.483 4.491 20 0 GIADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Nc1cccc(Cl)c1Br ZINC000191737507 823752115 /nfs/dbraw/zinc/75/21/15/823752115.db2.gz KYIZXWHTXBCMSX-GFCCVEGCSA-N 1 0 388.737 4.441 20 0 GIADRO CC(C)OCC[NH+]1CCC(NC(=O)CCCc2csc3ccccc23)CC1 ZINC000125960468 823753245 /nfs/dbraw/zinc/75/32/45/823753245.db2.gz RRATZIFLYGUDQY-UHFFFAOYSA-N 1 0 388.577 4.230 20 0 GIADRO CCOc1cc(C[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)ccc1OC(F)F ZINC000163880601 823756012 /nfs/dbraw/zinc/75/60/12/823756012.db2.gz ONHCWVHKHJWDIX-WHDAMIPWSA-N 1 0 383.460 4.275 20 0 GIADRO O=C(NC[C@@H](Cc1ccccc1)C(F)(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000574530857 823756873 /nfs/dbraw/zinc/75/68/73/823756873.db2.gz JFDMQYKHJKOECT-WOJBJXKFSA-N 1 0 390.449 4.046 20 0 GIADRO O=c1[nH]c(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)nc2c1cnn2-c1ccccc1 ZINC000574540239 823759153 /nfs/dbraw/zinc/75/91/53/823759153.db2.gz AQMKKPVFMFZQGF-GHTZIAJQSA-N 1 0 399.498 4.022 20 0 GIADRO O=c1[nH]c(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)nc2c1cnn2-c1ccccc1 ZINC000574540242 823759529 /nfs/dbraw/zinc/75/95/29/823759529.db2.gz AQMKKPVFMFZQGF-WIYYLYMNSA-N 1 0 399.498 4.022 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)N2CCSC3(CCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000413361134 823759680 /nfs/dbraw/zinc/75/96/80/823759680.db2.gz OBNVHNFMDLQFML-QUCCMNQESA-N 1 0 387.593 4.111 20 0 GIADRO O=C(Nc1ccnc(Oc2ccccc2Cl)c1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000574544876 823761159 /nfs/dbraw/zinc/76/11/59/823761159.db2.gz LORQWPZNJGLIPL-DOTOQJQBSA-N 1 0 386.883 4.037 20 0 GIADRO COc1ccc(-c2nc3c(s2)[C@H]([NH2+]CCCNc2ncccn2)CCC3)cc1 ZINC000163940038 823763258 /nfs/dbraw/zinc/76/32/58/823763258.db2.gz ZRVFKRAKWNLXMK-QGZVFWFLSA-N 1 0 395.532 4.078 20 0 GIADRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CCCNc3ncccn3)s2)cc1 ZINC000163946057 823763854 /nfs/dbraw/zinc/76/38/54/823763854.db2.gz SIXRQVXSGYCOHL-CQSZACIVSA-N 1 0 383.521 4.070 20 0 GIADRO COc1c(C)cnc(CN2CCC([N@H+](C)C/C=C/c3ccccc3)CC2)c1C ZINC000574558531 823765653 /nfs/dbraw/zinc/76/56/53/823765653.db2.gz LBLLDVAJBRXTQN-DHZHZOJOSA-N 1 0 379.548 4.317 20 0 GIADRO Clc1ccc([C@@H](C[NH2+][C@H]2CCCNc3ccccc32)N2CCOCC2)cc1 ZINC000574558975 823766366 /nfs/dbraw/zinc/76/63/66/823766366.db2.gz PUVDYKLDYMGHIJ-FCHUYYIVSA-N 1 0 385.939 4.250 20 0 GIADRO COCCOc1ccc([C@@H](C)[NH2+]Cc2c(C)nn(Cc3ccccc3)c2C)cc1 ZINC000163965737 823766722 /nfs/dbraw/zinc/76/67/22/823766722.db2.gz IXPUKBLWZJCNKN-GOSISDBHSA-N 1 0 393.531 4.424 20 0 GIADRO Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+][C@@H](C)c1oc2ccccc2c1C ZINC000191783245 823766868 /nfs/dbraw/zinc/76/68/68/823766868.db2.gz TXNXJARHGVREJB-INIZCTEOSA-N 1 0 383.492 4.357 20 0 GIADRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)Nc1cc(C2CC2)ccn1 ZINC000574561273 823766909 /nfs/dbraw/zinc/76/69/09/823766909.db2.gz BFXUKOLXKWSVQZ-IRXDYDNUSA-N 1 0 378.520 4.237 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C ZINC000574589825 823773291 /nfs/dbraw/zinc/77/32/91/823773291.db2.gz AULSWHBFGOQMJA-JCURWCKSSA-N 1 0 380.529 4.066 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+][C@H](CO)C[C@@H](O)C(C)(C)C ZINC000574589823 823773340 /nfs/dbraw/zinc/77/33/40/823773340.db2.gz AULSWHBFGOQMJA-AFAVFJNCSA-N 1 0 380.529 4.066 20 0 GIADRO CC(C)(C)C[C@H]1CCCN1C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000064224223 823773695 /nfs/dbraw/zinc/77/36/95/823773695.db2.gz ITVFJMZSTLYZBX-HXUWFJFHSA-N 1 0 375.532 4.400 20 0 GIADRO Cc1ccc(CN2CC[C@@H]([NH2+]Cc3cnc(-c4ccccc4)s3)C2=O)cc1 ZINC000191803824 823773870 /nfs/dbraw/zinc/77/38/70/823773870.db2.gz GPXKGRITRZAXEL-HXUWFJFHSA-N 1 0 377.513 4.009 20 0 GIADRO C[C@H]1CN(Cc2cccc(C[NH2+][C@H](c3ncc[nH]3)C3CCCCC3)c2)CCO1 ZINC000574591412 823773957 /nfs/dbraw/zinc/77/39/57/823773957.db2.gz TXSBZTWRALDCER-AVRDEDQJSA-N 1 0 382.552 4.042 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(NC(=O)C2CCCC2)c1)c1ccc([S@@](C)=O)cc1 ZINC000126046258 823774388 /nfs/dbraw/zinc/77/43/88/823774388.db2.gz JMHDQPGDYBCIMR-OQRWROFFSA-N 1 0 384.545 4.404 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@@H]2CCCc3c2cnn3C)ccc1OCc1ccncc1 ZINC000164069797 823775215 /nfs/dbraw/zinc/77/52/15/823775215.db2.gz DONQJIXHMGAGSV-OXQOHEQNSA-N 1 0 392.503 4.131 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)N(C)[C@H](C)c2cc(F)ccc2F)c1 ZINC000064229468 823775935 /nfs/dbraw/zinc/77/59/35/823775935.db2.gz XPHDDUKYCJOCSZ-OAHLLOKOSA-N 1 0 375.463 4.319 20 0 GIADRO c1ccc(Cn2c(SCCC[NH+]3CCCCC3)nnc2-c2ccncc2)cc1 ZINC000191808213 823776304 /nfs/dbraw/zinc/77/63/04/823776304.db2.gz GLUCIDHRNFPIBX-UHFFFAOYSA-N 1 0 393.560 4.357 20 0 GIADRO Cc1ccc(CN2CC[C@H]([NH2+]Cc3cc(Cl)cc4cccnc43)C2=O)cc1 ZINC000191810479 823777320 /nfs/dbraw/zinc/77/73/20/823777320.db2.gz HKOYPUGREKUVDL-FQEVSTJZSA-N 1 0 379.891 4.087 20 0 GIADRO COCCOc1cccc(/C=C\c2nc(-c3ccc(F)c(C[NH+](C)C)c3)no2)c1 ZINC000574603147 823777829 /nfs/dbraw/zinc/77/78/29/823777829.db2.gz DQRIEHCQLYMOQI-YFHOEESVSA-N 1 0 397.450 4.133 20 0 GIADRO COCCOc1cccc(/C=C/c2nc(-c3ccc(F)c(C[NH+](C)C)c3)no2)c1 ZINC000574603146 823777859 /nfs/dbraw/zinc/77/78/59/823777859.db2.gz DQRIEHCQLYMOQI-JXMROGBWSA-N 1 0 397.450 4.133 20 0 GIADRO COCCOc1ccccc1NC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000064239989 823778939 /nfs/dbraw/zinc/77/89/39/823778939.db2.gz JOFSXDKJNRNZIO-UHFFFAOYSA-N 1 0 389.540 4.022 20 0 GIADRO C[C@@H](NC(=O)N1CCC([NH+]2CCCC2)CC1)[C@H](C)c1ccccc1C(F)(F)F ZINC000164121791 823779816 /nfs/dbraw/zinc/77/98/16/823779816.db2.gz HJJRYNNXPNXXGF-JKSUJKDBSA-N 1 0 397.485 4.467 20 0 GIADRO OC[C@H](C[NH2+][C@H](c1cccc(F)c1)c1cccc(Br)c1)C1CC1 ZINC000574611064 823780641 /nfs/dbraw/zinc/78/06/41/823780641.db2.gz GHDNKEKWGVSRGQ-LPHOPBHVSA-N 1 0 378.285 4.286 20 0 GIADRO O=C(c1cnc(Cc2ccccc2)s1)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000126080345 823782161 /nfs/dbraw/zinc/78/21/61/823782161.db2.gz UQTARJVMSDTNKT-LJQANCHMSA-N 1 0 389.524 4.359 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(Cc3ccccn3)ccc2C)C[C@H]1C ZINC000574620481 823783613 /nfs/dbraw/zinc/78/36/13/823783613.db2.gz ORQAZXALHSPQJK-NQIIRXRSSA-N 1 0 380.536 4.317 20 0 GIADRO CC[N@@H+]1CC[C@@H](NC(=O)N[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)C1 ZINC000413477883 823785421 /nfs/dbraw/zinc/78/54/21/823785421.db2.gz WSTPAGRCHVCKAH-ZIAGYGMSSA-N 1 0 397.363 4.092 20 0 GIADRO C[C@@H]([NH2+]Cc1cccnc1Oc1cccc(S(C)(=O)=O)c1)c1cccs1 ZINC000164235583 823788789 /nfs/dbraw/zinc/78/87/89/823788789.db2.gz HMGWOPXVPZWHKY-CQSZACIVSA-N 1 0 388.514 4.190 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc3c(c2)CCC3=O)[C@H]1c1cccs1 ZINC000574649336 823790858 /nfs/dbraw/zinc/79/08/58/823790858.db2.gz DVFWFQLNRDRTJI-QRWLVFNGSA-N 1 0 383.517 4.082 20 0 GIADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)N(Cc1cccnc1)Cc1ccccc1C ZINC000462003914 823791103 /nfs/dbraw/zinc/79/11/03/823791103.db2.gz BIGIQBBHYFEUIB-HXUWFJFHSA-N 1 0 382.552 4.222 20 0 GIADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000462005723 823792112 /nfs/dbraw/zinc/79/21/12/823792112.db2.gz FAAQVOHAEUBAGO-KDOFPFPSSA-N 1 0 391.947 4.183 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)c2cnc([C@@H]3CCCO3)s2)CC[N@@H+]1Cc1ccccc1 ZINC000126118921 823792735 /nfs/dbraw/zinc/79/27/35/823792735.db2.gz YEOISWUJFBOYIO-NEWSRXKRSA-N 1 0 399.560 4.120 20 0 GIADRO CC(C)[NH+]1CCC(C(=O)Nc2ccc(Sc3nncs3)c(Cl)c2)CC1 ZINC000462009284 823793355 /nfs/dbraw/zinc/79/33/55/823793355.db2.gz QFHCUGILLYDZGR-UHFFFAOYSA-N 1 0 396.969 4.402 20 0 GIADRO CC[NH+](CC)CCOc1ccc(C(=O)Nc2cccc(-c3noc(C)n3)c2)cc1 ZINC000064331406 823794493 /nfs/dbraw/zinc/79/44/93/823794493.db2.gz YLTMCNIRSKBOAY-UHFFFAOYSA-N 1 0 394.475 4.018 20 0 GIADRO CC(C)[C@@H](CNC(=O)c1c(Cl)nccc1C(F)(F)F)[NH+]1CCC(C)CC1 ZINC000126131756 823795569 /nfs/dbraw/zinc/79/55/69/823795569.db2.gz KXWNAPOZXLYVKN-CQSZACIVSA-N 1 0 391.865 4.240 20 0 GIADRO Cc1[nH]c2ccccc2c1CCNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000462018008 823796112 /nfs/dbraw/zinc/79/61/12/823796112.db2.gz VJOVIRNOMCJFCK-HSZRJFAPSA-N 1 0 375.516 4.190 20 0 GIADRO C[C@H](CC(=O)N(C)CCC[N@H+](C)Cc1ccncc1)Cc1ccc(Cl)cc1 ZINC000574677568 823797908 /nfs/dbraw/zinc/79/79/08/823797908.db2.gz HVDGLSGURULAEM-SFHVURJKSA-N 1 0 387.955 4.284 20 0 GIADRO O=C(c1ccccc1Nc1ccccc1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000064346782 823797961 /nfs/dbraw/zinc/79/79/61/823797961.db2.gz FUMAEXNETWBVNS-UHFFFAOYSA-N 1 0 393.531 4.005 20 0 GIADRO O=C(Nc1ccccc1)[C@H](NC1CC[NH+](C2CCCC2)CC1)c1ccccc1 ZINC000164375920 823798743 /nfs/dbraw/zinc/79/87/43/823798743.db2.gz NGYZLXARSMGMNJ-HSZRJFAPSA-N 1 0 377.532 4.363 20 0 GIADRO CO[C@H](C[NH2+]Cc1cn2ccc(Br)cc2n1)c1ccc(Cl)cc1 ZINC000574679453 823798770 /nfs/dbraw/zinc/79/87/70/823798770.db2.gz OTGNRGMBRUTYCB-MRXNPFEDSA-N 1 0 394.700 4.228 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCc2nc(C3CC3)cs2)CC1 ZINC000126143442 823798875 /nfs/dbraw/zinc/79/88/75/823798875.db2.gz QXFPRGBDIKBTKB-OAHLLOKOSA-N 1 0 384.549 4.045 20 0 GIADRO c1csc(CC[NH+]2CCN(Cc3csc(COc4ccccc4)n3)CC2)c1 ZINC000064352415 823799068 /nfs/dbraw/zinc/79/90/68/823799068.db2.gz KXBXMHZTFRVYAV-UHFFFAOYSA-N 1 0 399.585 4.144 20 0 GIADRO CCc1oc(C[NH+]2CCC(c3noc4cc(F)ccc43)CC2)cc1C(=O)OC ZINC000574682172 823799825 /nfs/dbraw/zinc/79/98/25/823799825.db2.gz HLRXDSCZLCYUKT-UHFFFAOYSA-N 1 0 386.423 4.289 20 0 GIADRO O=C(C[C@@H]1CCCN1C(=O)c1cccc(C[NH+]2CCCCC2)c1)c1ccco1 ZINC000413614959 823804042 /nfs/dbraw/zinc/80/40/42/823804042.db2.gz HRNYEECZISHYRU-FQEVSTJZSA-N 1 0 380.488 4.143 20 0 GIADRO COc1ccc(-c2noc(C[NH2+][C@H]3CCC[C@@H]3Cc3ccccc3)n2)c(OC)c1 ZINC000191891064 823805439 /nfs/dbraw/zinc/80/54/39/823805439.db2.gz MBEMOOGNXGJEHE-XLIONFOSSA-N 1 0 393.487 4.255 20 0 GIADRO Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000164511877 823806241 /nfs/dbraw/zinc/80/62/41/823806241.db2.gz KIWJNRWBTXKUFA-NVXWUHKLSA-N 1 0 389.952 4.328 20 0 GIADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)N[C@@H](c3c(Cl)cccc3Cl)C3CC3)[C@H]2C1 ZINC000462038183 823806635 /nfs/dbraw/zinc/80/66/35/823806635.db2.gz FITSAZQLXQFRAY-PZPSRYQVSA-N 1 0 382.335 4.180 20 0 GIADRO CC[C@@H](NC(=O)CC[NH+]1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000462038832 823807043 /nfs/dbraw/zinc/80/70/43/823807043.db2.gz MFEPCLPICNOUOZ-OAQYLSRUSA-N 1 0 385.939 4.120 20 0 GIADRO C[C@H](C(=O)NC1CC[NH+](C2CCCCC2)CC1)c1ccc(Br)cc1 ZINC000164530717 823807059 /nfs/dbraw/zinc/80/70/59/823807059.db2.gz PPZMGRSTMQNDCJ-HNNXBMFYSA-N 1 0 393.369 4.466 20 0 GIADRO O=C(N[C@@H](c1c(Cl)cccc1Cl)C1CC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000462044482 823809805 /nfs/dbraw/zinc/80/98/05/823809805.db2.gz APAFPTKDZGLSRJ-RDTXWAMCSA-N 1 0 380.319 4.100 20 0 GIADRO Cc1cccc(C)c1OC[C@H](O)C[NH+]1CCC(c2noc3cc(F)ccc32)CC1 ZINC000574727918 823811933 /nfs/dbraw/zinc/81/19/33/823811933.db2.gz FSGGCNJPXYJUBU-LJQANCHMSA-N 1 0 398.478 4.203 20 0 GIADRO CC[NH+]1CCN(c2ccc(C(=O)N(C)Cc3ccc4ccccc4c3)cc2)CC1 ZINC000462050508 823812740 /nfs/dbraw/zinc/81/27/40/823812740.db2.gz AMQCCKDLXNKYRG-UHFFFAOYSA-N 1 0 387.527 4.254 20 0 GIADRO CCN(CC)C(=O)C[NH2+]Cc1ccc(-c2ccc(Br)cc2)s1 ZINC000064411592 823813102 /nfs/dbraw/zinc/81/31/02/823813102.db2.gz QXCXVIWGURZGRJ-UHFFFAOYSA-N 1 0 381.339 4.136 20 0 GIADRO Cc1ccc([C@@H](C[NH2+][C@H](C)c2ccc(Br)s2)N2CCOCC2)o1 ZINC000164625443 823813099 /nfs/dbraw/zinc/81/30/99/823813099.db2.gz BMVMJUAYKCHIEM-ZIAGYGMSSA-N 1 0 399.354 4.136 20 0 GIADRO Fc1ccccc1COc1ccc(C[NH2+][C@@H]2CCO[C@H]2c2ccccc2)cn1 ZINC000191927881 823813203 /nfs/dbraw/zinc/81/32/03/823813203.db2.gz VEFXKGMORNGJBU-GGAORHGYSA-N 1 0 378.447 4.420 20 0 GIADRO O=C(Nc1cnn(Cc2ccccc2)c1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000126214399 823813575 /nfs/dbraw/zinc/81/35/75/823813575.db2.gz XRDLOCFXMRLYPU-UHFFFAOYSA-N 1 0 395.551 4.051 20 0 GIADRO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000126218592 823814674 /nfs/dbraw/zinc/81/46/74/823814674.db2.gz VFWOPIRMWALEKX-TYCQWZJGSA-N 1 0 383.511 4.323 20 0 GIADRO Cc1c[nH+]ccc1N1CCC(C(=O)Nc2cc(F)c(OC(F)F)cc2F)CC1 ZINC000574740415 823815141 /nfs/dbraw/zinc/81/51/41/823815141.db2.gz QUVJQZVNDWNSNI-UHFFFAOYSA-N 1 0 397.372 4.125 20 0 GIADRO Cc1nc(-c2ccc([C@@H](C)NC(=O)NC[C@H]3CC[C@H](C[NH3+])CC3)cc2)cs1 ZINC000574741595 823815855 /nfs/dbraw/zinc/81/58/55/823815855.db2.gz ZDYDOAQFLPODEI-DJIMGWMZSA-N 1 0 386.565 4.244 20 0 GIADRO Cc1nccn1CCCC[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000164683630 823816164 /nfs/dbraw/zinc/81/61/64/823816164.db2.gz PQNIERWUGIFNSG-KRWDZBQOSA-N 1 0 378.314 4.238 20 0 GIADRO C[C@@H](NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1)c1ccc2ccccc2c1 ZINC000462063693 823817317 /nfs/dbraw/zinc/81/73/17/823817317.db2.gz YICNONVGGYNPDK-LJQANCHMSA-N 1 0 387.527 4.078 20 0 GIADRO COc1ccc([C@@H](C)N(C)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000126235593 823817421 /nfs/dbraw/zinc/81/74/21/823817421.db2.gz CEYOGDQSTIVEPP-XLIONFOSSA-N 1 0 385.508 4.218 20 0 GIADRO C[NH+](C)CCN(Cc1cccs1)C(=O)N[C@H]1CCc2sc(Cl)cc21 ZINC000462063909 823817824 /nfs/dbraw/zinc/81/78/24/823817824.db2.gz ZRQUQIRYQUZSTQ-AWEZNQCLSA-N 1 0 383.970 4.224 20 0 GIADRO CCOc1ccccc1Oc1ccc(CNC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])cn1 ZINC000164754334 823818670 /nfs/dbraw/zinc/81/86/70/823818670.db2.gz XYDISMCBOVBRKB-OALUTQOASA-N 1 0 397.519 4.187 20 0 GIADRO [NH3+][C@H]1CCc2nc(NC(=O)c3csc(-c4ccc(Cl)s4)n3)sc2C1 ZINC000574754320 823819271 /nfs/dbraw/zinc/81/92/71/823819271.db2.gz VAMVELZHSFHFDC-ZETCQYMHSA-N 1 0 396.950 4.050 20 0 GIADRO O=C(c1cn(Cc2ccccc2)c2ccccc12)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000574766018 823821429 /nfs/dbraw/zinc/82/14/29/823821429.db2.gz ADPCYCMURRLAIT-OAQYLSRUSA-N 1 0 387.527 4.151 20 0 GIADRO Cc1ccccc1-c1cc(NC(=O)NCCCC[NH+]2CCC(C)CC2)n(C)n1 ZINC000462081665 823822745 /nfs/dbraw/zinc/82/27/45/823822745.db2.gz TWSHAOQMRGQIEZ-UHFFFAOYSA-N 1 0 383.540 4.029 20 0 GIADRO C[NH+]1CCC2(CCCN2C(=O)N[C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000413718304 823824674 /nfs/dbraw/zinc/82/46/74/823824674.db2.gz PTOVGGUGTUFGMO-IEBWSBKVSA-N 1 0 375.944 4.246 20 0 GIADRO CC[C@H](C)[NH2+][C@H](CNC(=O)c1c[nH]nc1-c1ccc(Cl)cc1)c1ccco1 ZINC000574785087 823825847 /nfs/dbraw/zinc/82/58/47/823825847.db2.gz KDMWBBUMUAEPLU-SUMWQHHRSA-N 1 0 386.883 4.182 20 0 GIADRO CC[C@H](CNC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)CC(F)(F)F ZINC000413723979 823825905 /nfs/dbraw/zinc/82/59/05/823825905.db2.gz CBOONTUDMGTZFY-QXAKKESOSA-N 1 0 397.485 4.129 20 0 GIADRO C[C@H](CSCc1ccccc1)C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000126279068 823827670 /nfs/dbraw/zinc/82/76/70/823827670.db2.gz ZDEWKJVYSQIBQS-LJQANCHMSA-N 1 0 397.588 4.326 20 0 GIADRO Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@H](C)c3cccc(C)c3C)CC2)cc1 ZINC000462102172 823827842 /nfs/dbraw/zinc/82/78/42/823827842.db2.gz BBYHZTJKBKZLLC-LJQANCHMSA-N 1 0 386.561 4.116 20 0 GIADRO C[C@@H]([NH2+]C[C@H](CO)Cc1ccccc1Br)c1nccc2ccccc21 ZINC000574795283 823829058 /nfs/dbraw/zinc/82/90/58/823829058.db2.gz NLYAMWINHUIJQR-HZPDHXFCSA-N 1 0 399.332 4.499 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)c2cnn(-c3ccccc3Cl)c2)c1 ZINC000064489243 823829735 /nfs/dbraw/zinc/82/97/35/823829735.db2.gz OVKRKCPBWIWAPL-UHFFFAOYSA-N 1 0 396.922 4.298 20 0 GIADRO Cc1ccc2oc(C[NH2+]C[C@@H](O)COc3cccc(C(F)(F)F)c3)cc2c1 ZINC000574798646 823830640 /nfs/dbraw/zinc/83/06/40/823830640.db2.gz WKXFDTAOUBWAAY-MRXNPFEDSA-N 1 0 379.378 4.290 20 0 GIADRO CC[C@H](CNC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)CC(F)(F)F ZINC000413745729 823831264 /nfs/dbraw/zinc/83/12/64/823831264.db2.gz UTPUZSWCXQCNJO-LBPRGKRZSA-N 1 0 391.400 4.023 20 0 GIADRO CC[C@@H](CNC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)CC(F)(F)F ZINC000413745728 823831330 /nfs/dbraw/zinc/83/13/30/823831330.db2.gz UTPUZSWCXQCNJO-GFCCVEGCSA-N 1 0 391.400 4.023 20 0 GIADRO C[C@@H]([NH3+])[C@H](C)C(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000191992648 823832261 /nfs/dbraw/zinc/83/22/61/823832261.db2.gz WXVGMPURHZRPMP-JKSUJKDBSA-N 1 0 396.922 4.134 20 0 GIADRO COc1cc(C)ccc1Oc1ccc(NC(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)cn1 ZINC000165086843 823833390 /nfs/dbraw/zinc/83/33/90/823833390.db2.gz DNUHDDRIDIZWPT-SJORKVTESA-N 1 0 383.492 4.155 20 0 GIADRO Cc1ccc([C@@H]2CCC[N@H+]2CC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1C ZINC000064517625 823834048 /nfs/dbraw/zinc/83/40/48/823834048.db2.gz HOFLEAWBVRPDKM-QHCPKHFHSA-N 1 0 379.548 4.165 20 0 GIADRO Cc1ccc(C)c(OCCC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000064522301 823836084 /nfs/dbraw/zinc/83/60/84/823836084.db2.gz OHGPKIQHCRKIEC-IBGZPJMESA-N 1 0 386.561 4.162 20 0 GIADRO Clc1ccc([C@H]2OCC[C@@H]2[NH2+]CCCc2nc(-c3ccccc3)no2)cc1 ZINC000192026742 823836660 /nfs/dbraw/zinc/83/66/60/823836660.db2.gz XJGRKFNJBMMFRT-AZUAARDMSA-N 1 0 383.879 4.442 20 0 GIADRO C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1)C(=O)Nc1cccc2ncccc21 ZINC000192026541 823836668 /nfs/dbraw/zinc/83/66/68/823836668.db2.gz MVMVCTNJZVDEGJ-SZFUDVHCSA-N 1 0 395.890 4.335 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000126313246 823836980 /nfs/dbraw/zinc/83/69/80/823836980.db2.gz OAYZHJJGJLBXGJ-ILBGXUMGSA-N 1 0 389.543 4.051 20 0 GIADRO CC(C)Sc1cccc(Cl)c1C[NH2+]CCc1nnc2n1CCCCC2 ZINC000192028603 823836959 /nfs/dbraw/zinc/83/69/59/823836959.db2.gz NSNBGYMJCHVAGV-UHFFFAOYSA-N 1 0 378.973 4.491 20 0 GIADRO COc1cccc(COc2cccc(NC(=O)NC[C@@H]3CCC[N@H+](C)C3)c2C)c1 ZINC000165168503 823837451 /nfs/dbraw/zinc/83/74/51/823837451.db2.gz VHVLDQCJBMIJJV-IBGZPJMESA-N 1 0 397.519 4.046 20 0 GIADRO COc1ccc(NC(=O)C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)cc1Cl ZINC000192031472 823838192 /nfs/dbraw/zinc/83/81/92/823838192.db2.gz BNTVTQBOKRJGRB-APWZRJJASA-N 1 0 395.286 4.060 20 0 GIADRO C[C@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)c1cccc(OC(F)(F)F)c1 ZINC000165185355 823838671 /nfs/dbraw/zinc/83/86/71/823838671.db2.gz WDOWWPXNKMPARA-AWEZNQCLSA-N 1 0 380.410 4.180 20 0 GIADRO CN(Cc1ccc(Cl)s1)C(=O)C[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000192034033 823838970 /nfs/dbraw/zinc/83/89/70/823838970.db2.gz XXDQHELHYRAPSK-YJBOKZPZSA-N 1 0 399.343 4.133 20 0 GIADRO CC(C)(C)n1ncc(NC2CC[NH+](CC3CCCCC3)CC2)c(Cl)c1=O ZINC000064538580 823839816 /nfs/dbraw/zinc/83/98/16/823839816.db2.gz ZTPGEZXCSPHVPN-UHFFFAOYSA-N 1 0 380.964 4.108 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]CCc2c[nH]c3cccc(C)c23)c1 ZINC000165215533 823839900 /nfs/dbraw/zinc/83/99/00/823839900.db2.gz QTGQMPAPGXTQDN-MRXNPFEDSA-N 1 0 395.503 4.043 20 0 GIADRO COc1ccc(NC(=O)C[C@H](C)[NH2+]CCc2c[nH]c3cccc(C)c23)c(OC)c1 ZINC000165222591 823840294 /nfs/dbraw/zinc/84/02/94/823840294.db2.gz QLHXIRUCIWUANL-INIZCTEOSA-N 1 0 395.503 4.043 20 0 GIADRO Cc1ccccc1CN(C)C(=O)[C@H](C)[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000192040520 823841040 /nfs/dbraw/zinc/84/10/40/823841040.db2.gz ROXJCWHYMMNWMS-ORYQWCPZSA-N 1 0 386.923 4.115 20 0 GIADRO C[C@H](CC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(F)c(Br)c1 ZINC000462136490 823840951 /nfs/dbraw/zinc/84/09/51/823840951.db2.gz CNDGFSYVVQLQCA-IPYPFGDCSA-N 1 0 385.321 4.023 20 0 GIADRO CC[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)C(=O)Nc1ccc(OC)cc1 ZINC000192041778 823841514 /nfs/dbraw/zinc/84/15/14/823841514.db2.gz MWQSZQARZBHUOY-XUVXKRRUSA-N 1 0 388.895 4.186 20 0 GIADRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N[C@H]1CCc2sc(Cl)cc21 ZINC000574848353 823841871 /nfs/dbraw/zinc/84/18/71/823841871.db2.gz MAPWNNNYLXBCEN-RDJZCZTQSA-N 1 0 389.952 4.210 20 0 GIADRO Cc1cc(NC(=O)N2[C@H](C)C[C@@H](c3ccccc3)[C@H]2C)n(C2CC[NH+](C)CC2)n1 ZINC000574848992 823842064 /nfs/dbraw/zinc/84/20/64/823842064.db2.gz HMFMYOSVSYHWLN-DBXWQHBBSA-N 1 0 395.551 4.257 20 0 GIADRO CCc1ccc([C@@H](COC)[NH2+][C@H](C)CC(=O)Nc2cc(Cl)ccc2OC)o1 ZINC000165283221 823842112 /nfs/dbraw/zinc/84/21/12/823842112.db2.gz ZSUQAELWXRXGDV-CXAGYDPISA-N 1 0 394.899 4.198 20 0 GIADRO Cc1cccc(Cl)c1NC(=O)C[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000192044113 823842311 /nfs/dbraw/zinc/84/23/11/823842311.db2.gz WWMXTEPEUXMJIP-QFBILLFUSA-N 1 0 379.287 4.360 20 0 GIADRO C[C@@H]([NH2+]C1CCN(Cc2ccc(F)cc2)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000165357949 823845151 /nfs/dbraw/zinc/84/51/51/823845151.db2.gz UYGILGWUERGVLX-QGZVFWFLSA-N 1 0 397.494 4.098 20 0 GIADRO [NH3+]C1(CNC(=O)Nc2cccc(-c3nccs3)c2)C2CC3CC(C2)CC1C3 ZINC000574859518 823845311 /nfs/dbraw/zinc/84/53/11/823845311.db2.gz XOAGABOUUFQEAD-UHFFFAOYSA-N 1 0 382.533 4.085 20 0 GIADRO CCc1ccccc1N(C(C)=O)c1nc(CN2CC[C@@H]([NH+]3CCCC3)C2)cs1 ZINC000165369083 823846122 /nfs/dbraw/zinc/84/61/22/823846122.db2.gz VPWAZOFRQKDRIZ-HXUWFJFHSA-N 1 0 398.576 4.060 20 0 GIADRO C[C@H]([NH2+]C1CCN(Cc2ccc(F)cc2)CC1)c1ccc(-n2ccnc2)cc1 ZINC000165379643 823846565 /nfs/dbraw/zinc/84/65/65/823846565.db2.gz SMZZIYYVUSOIKM-SFHVURJKSA-N 1 0 378.495 4.327 20 0 GIADRO CSc1ccc(Cl)cc1NC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000064563428 823846685 /nfs/dbraw/zinc/84/66/85/823846685.db2.gz OCGIYOMQGOULEK-MRXNPFEDSA-N 1 0 377.941 4.356 20 0 GIADRO CCOc1ccc(NC(=O)NCCC[NH+]2CCC(C)CC2)c(C(F)(F)F)c1 ZINC000064564326 823847353 /nfs/dbraw/zinc/84/73/53/823847353.db2.gz TUTXNGKXSUAUJG-UHFFFAOYSA-N 1 0 387.446 4.348 20 0 GIADRO CC[NH+](CC)CCN(Cc1cccs1)S(=O)(=O)c1ccc(SC)cc1 ZINC000064573121 823848101 /nfs/dbraw/zinc/84/81/01/823848101.db2.gz AMVQSDXIEMTWGP-UHFFFAOYSA-N 1 0 398.619 4.003 20 0 GIADRO [NH3+]Cc1ccc(OCC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000574870021 823848321 /nfs/dbraw/zinc/84/83/21/823848321.db2.gz PIYDSQUYEXBHKI-SFHVURJKSA-N 1 0 379.287 4.195 20 0 GIADRO Cc1c2cc(C)ccc2[nH]c1C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000165412458 823848313 /nfs/dbraw/zinc/84/83/13/823848313.db2.gz GACUIOLQKNQHTD-FQEVSTJZSA-N 1 0 375.516 4.379 20 0 GIADRO Cc1c(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cccc1-c1ccccn1 ZINC000462160502 823849103 /nfs/dbraw/zinc/84/91/03/823849103.db2.gz UYBOWMGCAZEVEL-KOSHJBKYSA-N 1 0 385.511 4.307 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+](Cc1ccccn1)C(C)C ZINC000165445666 823849262 /nfs/dbraw/zinc/84/92/62/823849262.db2.gz MWXQKNDDMKQDBS-UHFFFAOYSA-N 1 0 391.519 4.123 20 0 GIADRO COc1ccc(C[NH2+]Cc2cccc(CN3CCO[C@@H](C)C3)c2)c2ccccc12 ZINC000165447801 823849307 /nfs/dbraw/zinc/84/93/07/823849307.db2.gz SUQRBIFHVHHDLO-IBGZPJMESA-N 1 0 390.527 4.359 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)NCC2([NH+]3CCCCC3)CCCCC2)c1C ZINC000126367565 823850005 /nfs/dbraw/zinc/85/00/05/823850005.db2.gz YZRKSYQZVZWWMF-UHFFFAOYSA-N 1 0 386.540 4.264 20 0 GIADRO Cc1sc(NC(=O)C[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)cc2)c(C)c1C ZINC000192068532 823849942 /nfs/dbraw/zinc/84/99/42/823849942.db2.gz ULBDNSVSDDWVNY-WMZOPIPTSA-N 1 0 378.925 4.385 20 0 GIADRO Cc1sc(NC(=O)C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)c(C)c1C ZINC000192068525 823850052 /nfs/dbraw/zinc/85/00/52/823850052.db2.gz ULBDNSVSDDWVNY-AEFFLSMTSA-N 1 0 378.925 4.385 20 0 GIADRO C[C@@H]1CC[NH2+][C@H](C(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)C1 ZINC000574879513 823850193 /nfs/dbraw/zinc/85/01/93/823850193.db2.gz CBSQLUHAILERNV-WBMJQRKESA-N 1 0 377.941 4.044 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H](OC(C)(C)C)c1ccccc1 ZINC000126376633 823852311 /nfs/dbraw/zinc/85/23/11/823852311.db2.gz IVJDUGNTDUQUCL-JOCHJYFZSA-N 1 0 395.547 4.313 20 0 GIADRO Cc1noc(C)c1CC[N@H+](C[C@@H](O)COc1cccc2ccccc21)C(C)C ZINC000165532943 823852276 /nfs/dbraw/zinc/85/22/76/823852276.db2.gz QBNMOPPLNBACPT-HXUWFJFHSA-N 1 0 382.504 4.137 20 0 GIADRO Cc1nc2c(s1)[C@H]([NH2+]Cc1ccc(OCCOc3ccccc3)nc1)CCC2 ZINC000165544094 823852813 /nfs/dbraw/zinc/85/28/13/823852813.db2.gz GYJOXQPELZQWJZ-LJQANCHMSA-N 1 0 395.528 4.472 20 0 GIADRO CC[C@H](C)n1ncc(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c1C ZINC000574890813 823853290 /nfs/dbraw/zinc/85/32/90/823853290.db2.gz WOQHXJQBCFXKBM-GHTZIAJQSA-N 1 0 382.552 4.195 20 0 GIADRO CC[C@@H]([NH2+]CC(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1)c1ccc(C)cc1 ZINC000126385692 823853497 /nfs/dbraw/zinc/85/34/97/823853497.db2.gz UTQBVZKQZBSBPF-RTWAWAEBSA-N 1 0 396.531 4.417 20 0 GIADRO Cc1csc(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1Br ZINC000192090432 823856700 /nfs/dbraw/zinc/85/67/00/823856700.db2.gz MVHBGNCVKZILNE-STQMWFEESA-N 1 0 385.371 4.202 20 0 GIADRO Cc1ccccc1C[C@@H](C)NC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000064644049 823856705 /nfs/dbraw/zinc/85/67/05/823856705.db2.gz CZQWCAZUNQRMEP-MOPGFXCFSA-N 1 0 385.577 4.199 20 0 GIADRO CCc1ccc(CNC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)s1 ZINC000064644052 823856773 /nfs/dbraw/zinc/85/67/73/823856773.db2.gz GJSSEOMPFPAGCD-OAHLLOKOSA-N 1 0 377.579 4.083 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CCCc2nnc(SC)n2CC(C)C)cc1F ZINC000165645502 823856857 /nfs/dbraw/zinc/85/68/57/823856857.db2.gz NQRQVESPAOXXBL-AWEZNQCLSA-N 1 0 380.533 4.087 20 0 GIADRO CC[C@H]([NH2+][C@H](C)c1ccccc1OC)c1ccccc1OCC(=O)N1CCCC1 ZINC000165650370 823856899 /nfs/dbraw/zinc/85/68/99/823856899.db2.gz CGQVACAWFSLXIL-NQIIRXRSSA-N 1 0 396.531 4.498 20 0 GIADRO COc1ccc(C)cc1[C@H](C)[NH2+]CCCc1nnc(SC)n1CC(C)C ZINC000165664312 823857375 /nfs/dbraw/zinc/85/73/75/823857375.db2.gz IAFXFERSJLFZAY-INIZCTEOSA-N 1 0 376.570 4.256 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)CCCc1c[nH]c2ccccc12 ZINC000462182469 823858272 /nfs/dbraw/zinc/85/82/72/823858272.db2.gz OVBRSFJGFDNLRY-WZONZLPQSA-N 1 0 375.516 4.127 20 0 GIADRO C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)C(=O)Nc1cccc(F)c1 ZINC000192094849 823858445 /nfs/dbraw/zinc/85/84/45/823858445.db2.gz AHLWQHBTQBYCOY-FJNPEDAXSA-N 1 0 380.822 4.065 20 0 GIADRO [NH3+]C[C@@H](NCc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1)C1CCCCC1 ZINC000574907685 823858376 /nfs/dbraw/zinc/85/83/76/823858376.db2.gz DMAPYDPJTXHMLD-QGZVFWFLSA-N 1 0 382.533 4.061 20 0 GIADRO CSc1cccc(-c2noc([C@@H]3C[N@@H+](C(C)(C)C)C[C@H]3C(F)(F)F)n2)n1 ZINC000574907847 823858458 /nfs/dbraw/zinc/85/84/58/823858458.db2.gz RRCFHVFGIAUBBN-GHMZBOCLSA-N 1 0 386.443 4.230 20 0 GIADRO Cc1nc2ccc(C(=O)N3CC[C@]4(CC[N@H+](Cc5ccccc5)C4)C3)cc2s1 ZINC000574908119 823858647 /nfs/dbraw/zinc/85/86/47/823858647.db2.gz QCIWLLMWCZIUFP-QHCPKHFHSA-N 1 0 391.540 4.343 20 0 GIADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C[C@@H](C)c2ccc(F)c(Br)c2)C1 ZINC000462186135 823859587 /nfs/dbraw/zinc/85/95/87/823859587.db2.gz FRJBITZBKZFBDR-CABCVRRESA-N 1 0 399.348 4.176 20 0 GIADRO CCOC(=O)[C@]1(C(C)C)CC[N@@H+]([C@H](C)c2nnc(-c3cccc(Cl)c3)o2)C1 ZINC000574910532 823859758 /nfs/dbraw/zinc/85/97/58/823859758.db2.gz PCINQRCURIPKNS-JLTOFOAXSA-N 1 0 391.899 4.362 20 0 GIADRO CC[C@@H]([NH2+][C@H]1CCCc2cc(OC)ccc21)c1ccccc1OCC(=O)N(C)C ZINC000165702301 823860172 /nfs/dbraw/zinc/86/01/72/823860172.db2.gz AWCUFHXASQJSHK-YADHBBJMSA-N 1 0 396.531 4.281 20 0 GIADRO C[C@H](C(=O)NC1CC[NH+](C2CCCCC2)CC1)c1cccc(Br)c1 ZINC000462187922 823860573 /nfs/dbraw/zinc/86/05/73/823860573.db2.gz JRGQYLCTFJFGRJ-HNNXBMFYSA-N 1 0 393.369 4.466 20 0 GIADRO COc1ccc([C@H](C)[NH2+]C2CCN(Cc3ccccc3F)CC2)cc1NC(C)=O ZINC000165738675 823861417 /nfs/dbraw/zinc/86/14/17/823861417.db2.gz LRDGUIOZSSHTQK-INIZCTEOSA-N 1 0 399.510 4.108 20 0 GIADRO COCCC[C@H]([NH2+]C[C@@H]1CSCCS1)c1ccc(Br)cc1 ZINC000165741219 823861967 /nfs/dbraw/zinc/86/19/67/823861967.db2.gz CTSYEUJWSRYQHG-CVEARBPZSA-N 1 0 390.412 4.355 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)c2ccc(F)c(C(F)(F)F)c2)c(F)c1 ZINC000413897931 823862264 /nfs/dbraw/zinc/86/22/64/823862264.db2.gz FLMCKIWNNYNZKJ-UHFFFAOYSA-N 1 0 388.336 4.176 20 0 GIADRO CCc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000574929218 823862283 /nfs/dbraw/zinc/86/22/83/823862283.db2.gz USZFPGSFVQDDCS-PVERMEFCSA-N 1 0 376.544 4.379 20 0 GIADRO Clc1cc2c(c(C[N@H+](Cc3ccc(-n4cncn4)cc3)C3CC3)c1)OCC2 ZINC000574929193 823862432 /nfs/dbraw/zinc/86/24/32/823862432.db2.gz UDYPQASVWQRCCH-UHFFFAOYSA-N 1 0 380.879 4.020 20 0 GIADRO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccc(F)cc1Cl ZINC000574932435 823863027 /nfs/dbraw/zinc/86/30/27/823863027.db2.gz KCMPXCCDKBJDCA-CWFSZBLJSA-N 1 0 390.886 4.359 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)CCSc2ccccc2F)c(F)c1 ZINC000413903397 823863470 /nfs/dbraw/zinc/86/34/70/823863470.db2.gz QPMYCQMCYXGPFG-UHFFFAOYSA-N 1 0 380.460 4.026 20 0 GIADRO CC[C@H](CNC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000413905907 823864075 /nfs/dbraw/zinc/86/40/75/823864075.db2.gz JRDUYZYPKKAIAX-FUHWJXTLSA-N 1 0 385.474 4.129 20 0 GIADRO Cc1nc(C(C)(C)C)sc1C(=O)Nc1ccc(OCC[NH+](C)C)cc1F ZINC000413906784 823864090 /nfs/dbraw/zinc/86/40/90/823864090.db2.gz ZASKQDYRZVZPPN-UHFFFAOYSA-N 1 0 379.501 4.081 20 0 GIADRO Cc1nc2ccccc2c(C)c1C(=O)Nc1ccc(OCC[NH+](C)C)cc1F ZINC000413909897 823864696 /nfs/dbraw/zinc/86/46/96/823864696.db2.gz FEROJEHURQUCDW-UHFFFAOYSA-N 1 0 381.451 4.183 20 0 GIADRO CC[NH+](CC)[C@H]1CCN(C(=O)C[C@@H](C)c2ccc(F)c(Br)c2)C1 ZINC000462197280 823865076 /nfs/dbraw/zinc/86/50/76/823865076.db2.gz CWVZCGKEFPOWAG-HIFRSBDPSA-N 1 0 385.321 4.025 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@H](C)c2ccc(C)cc2)ccc1S(=O)(=O)C(F)F ZINC000165910846 823865822 /nfs/dbraw/zinc/86/58/22/823865822.db2.gz PSWUFNSDFRFHRH-ZIAGYGMSSA-N 1 0 383.460 4.412 20 0 GIADRO CC1(C(=O)Nc2cc(C(F)(F)F)ccn2)CC[NH+](Cc2ccccc2)CC1 ZINC000165901290 823865968 /nfs/dbraw/zinc/86/59/68/823865968.db2.gz DMBMBZBNIYTGRS-UHFFFAOYSA-N 1 0 377.410 4.341 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)Cc2c[nH]c3cccc(Cl)c23)c(F)c1 ZINC000413919470 823865950 /nfs/dbraw/zinc/86/59/50/823865950.db2.gz SZXSVAKVUGPPGA-UHFFFAOYSA-N 1 0 389.858 4.082 20 0 GIADRO CCc1onc(-c2ccccc2)c1C(=O)Nc1ccc(OCC[NH+](C)C)cc1F ZINC000413919557 823866155 /nfs/dbraw/zinc/86/61/55/823866155.db2.gz UFDIOTUKGSREGG-UHFFFAOYSA-N 1 0 397.450 4.236 20 0 GIADRO COc1cccc(C[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)c1OC ZINC000165979146 823867523 /nfs/dbraw/zinc/86/75/23/823867523.db2.gz ATEIETXSVOUWBY-UHFFFAOYSA-N 1 0 392.902 4.251 20 0 GIADRO CCc1nc([C@@H](C)NC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)cs1 ZINC000126443435 823868773 /nfs/dbraw/zinc/86/87/73/823868773.db2.gz WTLAYZRIARKIDI-KLAILNCOSA-N 1 0 378.586 4.109 20 0 GIADRO Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192126360 823868979 /nfs/dbraw/zinc/86/89/79/823868979.db2.gz QUGOKMMTRULCBO-GESALYCCSA-N 1 0 394.849 4.373 20 0 GIADRO COc1ccc([C@H](C)CC[NH2+][C@H](C)CC(=O)Nc2cccnc2Cl)cc1 ZINC000166058069 823868968 /nfs/dbraw/zinc/86/89/68/823868968.db2.gz PVAFQTATGUXULB-HUUCEWRRSA-N 1 0 375.900 4.244 20 0 GIADRO CCC(CC)C(=O)N1CCC([NH2+][C@H](CC)c2ccc(OC)c(OC)c2)CC1 ZINC000166054461 823869029 /nfs/dbraw/zinc/86/90/29/823869029.db2.gz MAMRAKNRCWVXTE-LJQANCHMSA-N 1 0 376.541 4.172 20 0 GIADRO CCC(CC)C(=O)N1CCC([NH2+][C@H](C)c2cnn(Cc3ccccc3)c2)CC1 ZINC000166086751 823869335 /nfs/dbraw/zinc/86/93/35/823869335.db2.gz ZBACMBMNISPKPF-GOSISDBHSA-N 1 0 382.552 4.009 20 0 GIADRO COc1ccc([C@@H](C)CC[NH2+][C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)cc1 ZINC000166092034 823869449 /nfs/dbraw/zinc/86/94/49/823869449.db2.gz UPKJMFSKBJZOKX-LSDHHAIUSA-N 1 0 379.497 4.082 20 0 GIADRO CCOc1ccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c(C(F)(F)F)c1 ZINC000166081938 823869558 /nfs/dbraw/zinc/86/95/58/823869558.db2.gz PTGNKWQQUGIKMY-SUMWQHHRSA-N 1 0 385.430 4.052 20 0 GIADRO O=C1CCCN1Cc1cccc(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)c1 ZINC000166143087 823870447 /nfs/dbraw/zinc/87/04/47/823870447.db2.gz MXXXXFACRGDHDS-GMAHTHKFSA-N 1 0 378.516 4.067 20 0 GIADRO O=C(Cn1ccc2ccc(Cl)cc21)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000064719048 823870659 /nfs/dbraw/zinc/87/06/59/823870659.db2.gz WEVCQYIWMICFGO-UHFFFAOYSA-N 1 0 381.907 4.207 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)cc1F ZINC000166162144 823871038 /nfs/dbraw/zinc/87/10/38/823871038.db2.gz NYDMYDCNXIZCRG-CQSZACIVSA-N 1 0 378.438 4.428 20 0 GIADRO Cc1c2cc(F)ccc2sc1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000064720976 823871005 /nfs/dbraw/zinc/87/10/05/823871005.db2.gz XWILPCFWARCGSK-UHFFFAOYSA-N 1 0 392.565 4.440 20 0 GIADRO COCCOc1ccccc1C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000064720320 823871243 /nfs/dbraw/zinc/87/12/43/823871243.db2.gz AXUIDZKAVGHEKD-LJQANCHMSA-N 1 0 396.531 4.016 20 0 GIADRO C[C@H]([NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1)c1ccc2c(c1)OCCO2 ZINC000166174482 823871632 /nfs/dbraw/zinc/87/16/32/823871632.db2.gz LVDSBNNCXGBWOQ-HNNXBMFYSA-N 1 0 388.458 4.051 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c2ccccc2O1 ZINC000574959706 823871835 /nfs/dbraw/zinc/87/18/35/823871835.db2.gz PQUNNGDVXUQOGF-PZPFTHLGSA-N 1 0 399.560 4.343 20 0 GIADRO Cc1cc(C)n(-c2ccc(C[NH2+][C@@H](C[C@H]3CCOC3)c3ccccc3)cn2)n1 ZINC000166208387 823872258 /nfs/dbraw/zinc/87/22/58/823872258.db2.gz WPGPPCSEZABKKB-KNQAVFIVSA-N 1 0 376.504 4.142 20 0 GIADRO CCCCOc1ccc(C(=O)N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)cc1OC ZINC000064725905 823872463 /nfs/dbraw/zinc/87/24/63/823872463.db2.gz VQVIZNUFPYWGAS-WSTZPKSXSA-N 1 0 388.552 4.352 20 0 GIADRO CCOc1c(Cl)cc(C(=O)N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)cc1OC ZINC000064725696 823872527 /nfs/dbraw/zinc/87/25/27/823872527.db2.gz ZJINOEYMFGNTLH-UXLLHSPISA-N 1 0 394.943 4.225 20 0 GIADRO Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000413939946 823872707 /nfs/dbraw/zinc/87/27/07/823872707.db2.gz QYNLKJIKMGHVOM-UHFFFAOYSA-N 1 0 391.512 4.494 20 0 GIADRO CC(C)NC(=O)Nc1ccc(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)cc1 ZINC000166247099 823873471 /nfs/dbraw/zinc/87/34/71/823873471.db2.gz MEIUFNQLGCEAGH-KNQAVFIVSA-N 1 0 381.520 4.474 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)c1ccc2c3c(cccc31)CC2 ZINC000413944881 823873751 /nfs/dbraw/zinc/87/37/51/823873751.db2.gz FGBCCUXEWGQAAA-UHFFFAOYSA-N 1 0 390.483 4.140 20 0 GIADRO CCc1cccc(CC)c1NC(=O)C[NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192136578 823873817 /nfs/dbraw/zinc/87/38/17/823873817.db2.gz PYRYQVDCTKSFMT-DENIHFKCSA-N 1 0 388.458 4.148 20 0 GIADRO Fc1ccc(-n2ccc(C[NH2+][C@@H]3CCO[C@H]3c3ccc(F)c(F)c3)n2)c(F)c1 ZINC000192135504 823873862 /nfs/dbraw/zinc/87/38/62/823873862.db2.gz MBRLOHOFCOQKFL-QUCCMNQESA-N 1 0 391.368 4.049 20 0 GIADRO C[C@H]([NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000166310847 823875037 /nfs/dbraw/zinc/87/50/37/823875037.db2.gz YBILSCQURIRSKR-GRYCIOLGSA-N 1 0 376.394 4.165 20 0 GIADRO CC[C@@H](C)n1ncc(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c1C1CC1 ZINC000126468791 823876461 /nfs/dbraw/zinc/87/64/61/823876461.db2.gz STBWCFPAFUBELU-UYAOXDASSA-N 1 0 394.563 4.026 20 0 GIADRO O=c1ccccn1Cc1ccc(C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)cc1 ZINC000166358457 823876378 /nfs/dbraw/zinc/87/63/78/823876378.db2.gz BGHAKOSZIFGZFE-ISKFKSNPSA-N 1 0 388.511 4.154 20 0 GIADRO CC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cccc(N3CCCC3)c2)c1 ZINC000126472455 823876712 /nfs/dbraw/zinc/87/67/12/823876712.db2.gz HOKUGZUYTCLRTC-IRXDYDNUSA-N 1 0 379.504 4.167 20 0 GIADRO CC(C)(C)Oc1ccc(C[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCO3)cc1 ZINC000166463242 823877875 /nfs/dbraw/zinc/87/78/75/823877875.db2.gz RVZMLHSMBPMVDM-UHFFFAOYSA-N 1 0 379.460 4.273 20 0 GIADRO CC[NH+](CC)[C@@H](C(=O)Nc1cc(OC)cc(OC)c1Cl)c1ccccc1 ZINC000413958906 823877988 /nfs/dbraw/zinc/87/79/88/823877988.db2.gz PIWXVQRLXKWXNQ-LJQANCHMSA-N 1 0 376.884 4.379 20 0 GIADRO COc1cccc(CN(CC[NH+](C)C)C(=O)Nc2cccc(COC(C)C)c2)c1 ZINC000192143010 823878046 /nfs/dbraw/zinc/87/80/46/823878046.db2.gz ZTGZTRBABRRGBR-UHFFFAOYSA-N 1 0 399.535 4.216 20 0 GIADRO Cn1cc(N2CCC[C@@H]([NH2+][C@@H]3CCCc4nc(-c5ccccc5)sc43)C2)cn1 ZINC000166484428 823878641 /nfs/dbraw/zinc/87/86/41/823878641.db2.gz WAPMLXTXGJUYPE-IEBWSBKVSA-N 1 0 393.560 4.180 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCC(F)(F)c2ccccc2)C1 ZINC000462221385 823878940 /nfs/dbraw/zinc/87/89/40/823878940.db2.gz CMMYENFCUAXGJS-MSOLQXFVSA-N 1 0 379.495 4.074 20 0 GIADRO Cc1c(Cl)c(C(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)nn1C ZINC000574980471 823879186 /nfs/dbraw/zinc/87/91/86/823879186.db2.gz MSYJVYZNJDCZQT-UHFFFAOYSA-N 1 0 388.943 4.076 20 0 GIADRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@@H](C)Oc1cccc(F)c1 ZINC000126481895 823879839 /nfs/dbraw/zinc/87/98/39/823879839.db2.gz SDZWSBHYVHVZCT-MRXNPFEDSA-N 1 0 388.508 4.089 20 0 GIADRO Cc1ccc(C[NH2+][C@@H](C)CC(=O)Nc2cccnc2Cl)c(OCC2CC2)c1 ZINC000166906062 823883912 /nfs/dbraw/zinc/88/39/12/823883912.db2.gz JKORIHUWFBYUEU-HNNXBMFYSA-N 1 0 387.911 4.339 20 0 GIADRO CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000166969279 823884484 /nfs/dbraw/zinc/88/44/84/823884484.db2.gz DCDIJSZNRVTNKI-DQLDELGASA-N 1 0 376.504 4.056 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000126501025 823885072 /nfs/dbraw/zinc/88/50/72/823885072.db2.gz ZJMIFMLUDDCUSG-UHFFFAOYSA-N 1 0 397.828 4.148 20 0 GIADRO FC(F)(F)c1ccc(OCC[NH+]2CCC(c3noc(C4CC4)n3)CC2)cc1 ZINC000462232519 823885957 /nfs/dbraw/zinc/88/59/57/823885957.db2.gz LWUGIGISWSIWJD-UHFFFAOYSA-N 1 0 381.398 4.224 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)Nc1ccc2cnccc2c1)[NH+]1CCCC1 ZINC000575009660 823886500 /nfs/dbraw/zinc/88/65/00/823886500.db2.gz DDPMVUOFXJEWRT-OAQYLSRUSA-N 1 0 390.487 4.202 20 0 GIADRO COCc1ccccc1CNC(=O)C[N@@H+]1CCC[C@H]1c1cccc2ccccc21 ZINC000064791998 823887080 /nfs/dbraw/zinc/88/70/80/823887080.db2.gz LSARVZCQBLNYDC-DEOSSOPVSA-N 1 0 388.511 4.440 20 0 GIADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2occc2COc2ccccc2)C1 ZINC000064800117 823887725 /nfs/dbraw/zinc/88/77/25/823887725.db2.gz LBRUMSFEZYOMTJ-QZTJIDSGSA-N 1 0 384.520 4.345 20 0 GIADRO O=S1(=O)CCC[C@@H](C[NH2+][C@H](Cc2ccc(F)cc2)c2ccccc2Cl)C1 ZINC000575013675 823888025 /nfs/dbraw/zinc/88/80/25/823888025.db2.gz YTWADTMHZPXBRB-OXJNMPFZSA-N 1 0 395.927 4.177 20 0 GIADRO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1ncoc1-c1cccc(C(F)(F)F)c1 ZINC000575015342 823888054 /nfs/dbraw/zinc/88/80/54/823888054.db2.gz UUMCPPMOQMPSCB-MRXNPFEDSA-N 1 0 395.425 4.307 20 0 GIADRO O=S1(=O)CCC[C@H](C[NH2+][C@@H](Cc2ccc(F)cc2)c2ccccc2Cl)C1 ZINC000575013677 823888252 /nfs/dbraw/zinc/88/82/52/823888252.db2.gz YTWADTMHZPXBRB-UZLBHIALSA-N 1 0 395.927 4.177 20 0 GIADRO CCC(CC)[N@H+](CCOC)Cc1nnc(-c2ccccc2Br)o1 ZINC000064806230 823888507 /nfs/dbraw/zinc/88/85/07/823888507.db2.gz FWQAFIIVDOPUIW-UHFFFAOYSA-N 1 0 382.302 4.136 20 0 GIADRO Cc1ccc(C[NH2+][C@H](C)c2ccc(-n3ccnc3)cc2)c(OC[C@H]2CCOC2)c1 ZINC000167200917 823888972 /nfs/dbraw/zinc/88/89/72/823888972.db2.gz QXSPCYLNTQLECJ-UXHICEINSA-N 1 0 391.515 4.447 20 0 GIADRO COc1ccc([C@H](C)[NH2+]Cc2ccc(C)cc2OC[C@@H]2CCOC2)c(OC)c1 ZINC000167210326 823889013 /nfs/dbraw/zinc/88/90/13/823889013.db2.gz WXWQCQUAUXVSMB-ZWKOTPCHSA-N 1 0 385.504 4.278 20 0 GIADRO COCCCOc1cc(C)ccc1C[NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000167245961 823889570 /nfs/dbraw/zinc/88/95/70/823889570.db2.gz RNRUDVNSRFJAJQ-IBGZPJMESA-N 1 0 379.504 4.447 20 0 GIADRO O=C(Nc1ccc2c(c1)C[NH2+]C2)N1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000575023514 823891119 /nfs/dbraw/zinc/89/11/19/823891119.db2.gz MPNKNWDAMXEHHR-OAHLLOKOSA-N 1 0 385.895 4.266 20 0 GIADRO C[C@H](NC(=O)Nc1cccc2c1CC[NH2+]C2)c1ccc(Br)s1 ZINC000575023380 823891266 /nfs/dbraw/zinc/89/12/66/823891266.db2.gz CDKQVGQHVGEDEF-JTQLQIEISA-N 1 0 380.311 4.039 20 0 GIADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2C[C@H]2c2ccccc2C(F)(F)F)C1 ZINC000064820919 823891381 /nfs/dbraw/zinc/89/13/81/823891381.db2.gz GKKLSPYVQNUSNS-PVAVHDDUSA-N 1 0 382.470 4.436 20 0 GIADRO Fc1cccc(C[C@@H]([NH2+]CCc2nnc3n2CCCCC3)c2cccc(F)c2)c1 ZINC000126530505 823891830 /nfs/dbraw/zinc/89/18/30/823891830.db2.gz QCLMBZDJVITWCW-OAQYLSRUSA-N 1 0 396.485 4.399 20 0 GIADRO NC(=O)C1CC[NH+](CCc2ccc(NCc3cc4ccccc4s3)cc2)CC1 ZINC000126535232 823892951 /nfs/dbraw/zinc/89/29/51/823892951.db2.gz DORONFLYSIOLAG-UHFFFAOYSA-N 1 0 393.556 4.253 20 0 GIADRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)s1 ZINC000575031187 823893812 /nfs/dbraw/zinc/89/38/12/823893812.db2.gz OXTIWFFLPWPVMG-MXSMSXNCSA-N 1 0 386.565 4.065 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1cccc(-c2nccs2)c1 ZINC000462244605 823893959 /nfs/dbraw/zinc/89/39/59/823893959.db2.gz LJZINIBBLIKMNV-JXFKEZNVSA-N 1 0 392.528 4.452 20 0 GIADRO CCOc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cccc(N3CCCC3)c2)cc1 ZINC000126541031 823894294 /nfs/dbraw/zinc/89/42/94/823894294.db2.gz CXWLCEPHCHSTSS-QZTJIDSGSA-N 1 0 381.520 4.363 20 0 GIADRO CCN(C(=O)c1ccc(C)c(NC(C)=O)c1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000126545652 823894777 /nfs/dbraw/zinc/89/47/77/823894777.db2.gz BZYAPFJNUWBEMN-PGRDOPGGSA-N 1 0 393.531 4.251 20 0 GIADRO O=C(Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc2sccc2[nH]1 ZINC000192181764 823894925 /nfs/dbraw/zinc/89/49/25/823894925.db2.gz MOZGZHTZZKTNRI-INIZCTEOSA-N 1 0 391.500 4.125 20 0 GIADRO O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)N1CCCC[C@H]1C(F)F ZINC000575036245 823896060 /nfs/dbraw/zinc/89/60/60/823896060.db2.gz ITGOWCVZUAMSLV-MOPGFXCFSA-N 1 0 379.495 4.118 20 0 GIADRO CCN(C(=O)c1ccc(F)c(NC(C)=O)c1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000126552451 823896799 /nfs/dbraw/zinc/89/67/99/823896799.db2.gz DEZFMGGAIAIZOU-JXFKEZNVSA-N 1 0 397.494 4.082 20 0 GIADRO COc1cc([C@H](C)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)cc(OC)c1OC ZINC000167856604 823896794 /nfs/dbraw/zinc/89/67/94/823896794.db2.gz NEOPQMHYUHNJEJ-IRXDYDNUSA-N 1 0 386.536 4.492 20 0 GIADRO CCOCCC1(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC1 ZINC000126552726 823897454 /nfs/dbraw/zinc/89/74/54/823897454.db2.gz MMDQOIYGFBJVTG-UHFFFAOYSA-N 1 0 376.504 4.231 20 0 GIADRO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3cccc(COC4CCCCC4)c3)CC[C@@H]21 ZINC000167885514 823897410 /nfs/dbraw/zinc/89/74/10/823897410.db2.gz ZIZMFEFYEQASBC-UGKGYDQZSA-N 1 0 385.552 4.484 20 0 GIADRO Cc1ccc([C@H](C)[NH2+]Cc2ccccc2CN2C(=O)NC3(CCCCC3)C2=O)o1 ZINC000167898433 823897569 /nfs/dbraw/zinc/89/75/69/823897569.db2.gz VYTBKFNEZPWUHV-KRWDZBQOSA-N 1 0 395.503 4.194 20 0 GIADRO CC(C)NC(=O)CC[NH2+][C@@H](c1ccccc1)c1cccc(Br)c1 ZINC000414060221 823897670 /nfs/dbraw/zinc/89/76/70/823897670.db2.gz JFQCKZOVHVSYKQ-IBGZPJMESA-N 1 0 375.310 4.043 20 0 GIADRO c1ccc(-c2nc3c(s2)[C@H]([NH2+]CCc2nnc4n2CCCCC4)CCC3)cc1 ZINC000126556973 823898152 /nfs/dbraw/zinc/89/81/52/823898152.db2.gz QOKQTXDYQGOWBS-QGZVFWFLSA-N 1 0 393.560 4.338 20 0 GIADRO CCCS(=O)(=O)N1CCC([NH2+][C@@H]2CCC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000414062018 823898409 /nfs/dbraw/zinc/89/84/09/823898409.db2.gz KVMHNPLISMWFOY-FXAWDEMLSA-N 1 0 399.000 4.160 20 0 GIADRO CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000167947852 823898757 /nfs/dbraw/zinc/89/87/57/823898757.db2.gz DQXCTADMHAGRKU-IBGZPJMESA-N 1 0 387.959 4.144 20 0 GIADRO O=C(CN[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)Nc1ccc(Cl)cc1 ZINC000575044869 823898789 /nfs/dbraw/zinc/89/87/89/823898789.db2.gz AMYYJPQKBYOAOD-FQEVSTJZSA-N 1 0 383.923 4.065 20 0 GIADRO c1ccc(CN2CCC([NH2+][C@@H]3CCCOc4cc5c(cc43)CCCC5)CC2)nc1 ZINC000126564814 823900271 /nfs/dbraw/zinc/90/02/71/823900271.db2.gz GSALLNJVDIRHAN-XMMPIXPASA-N 1 0 391.559 4.428 20 0 GIADRO O=C(NC[C@H](Cc1ccccc1)C(F)(F)F)NC1CC[NH+](C2CCCC2)CC1 ZINC000575051869 823900336 /nfs/dbraw/zinc/90/03/36/823900336.db2.gz JATDSBAWXUQGNE-KRWDZBQOSA-N 1 0 397.485 4.114 20 0 GIADRO Cc1c(C(=O)Nc2cccc3c2OCC[C@@H]3[NH+](C)C)cnn1-c1cccc(C)c1 ZINC000575055615 823900996 /nfs/dbraw/zinc/90/09/96/823900996.db2.gz ZRKZOJFPHMVXDU-NRFANRHFSA-N 1 0 390.487 4.127 20 0 GIADRO Fc1cc(C[NH2+]Cc2ccnc(N3CCCCCC3)c2)ccc1OC(F)F ZINC000168285605 823901814 /nfs/dbraw/zinc/90/18/14/823901814.db2.gz JAXCWYIUPGMQRK-UHFFFAOYSA-N 1 0 379.426 4.492 20 0 GIADRO Cc1ccccc1COc1ccc([C@@H](C)[NH2+]CC2(N(C)C)CCOCC2)cc1 ZINC000168288085 823902040 /nfs/dbraw/zinc/90/20/40/823902040.db2.gz IMVHDQYEYKZNDZ-HXUWFJFHSA-N 1 0 382.548 4.335 20 0 GIADRO C[C@@H](C[NH2+][C@@H](C)c1cc2n(n1)CCC2)Sc1ccc(Br)cc1 ZINC000414073932 823902142 /nfs/dbraw/zinc/90/21/42/823902142.db2.gz GJKYSRLCPHPHQH-STQMWFEESA-N 1 0 380.355 4.423 20 0 GIADRO O[C@@H](C[NH2+]Cc1ccc(OC(F)F)c(F)c1)c1cccc(C(F)(F)F)c1 ZINC000168285906 823902111 /nfs/dbraw/zinc/90/21/11/823902111.db2.gz YFJHZFDUUNQRKG-AWEZNQCLSA-N 1 0 379.300 4.269 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC000462259039 823902373 /nfs/dbraw/zinc/90/23/73/823902373.db2.gz MNSSUCUIGBJPAY-YWZLYKJASA-N 1 0 390.487 4.347 20 0 GIADRO Cc1noc(-c2ccccc2)c1NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000126571965 823902365 /nfs/dbraw/zinc/90/23/65/823902365.db2.gz UNVSRHQKSDWKFX-MJGOQNOKSA-N 1 0 380.492 4.131 20 0 GIADRO CC(C)Oc1ccc(Br)cc1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC000126574286 823902946 /nfs/dbraw/zinc/90/29/46/823902946.db2.gz GANKPJPFJJFSBL-UHFFFAOYSA-N 1 0 383.330 4.295 20 0 GIADRO COCCOc1ccc([C@H](C)[NH2+]Cc2ccc(Br)cc2)cc1OC ZINC000126574513 823903051 /nfs/dbraw/zinc/90/30/51/823903051.db2.gz KPENFLDUNAVVDW-AWEZNQCLSA-N 1 0 394.309 4.334 20 0 GIADRO COc1cc(Cl)c(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1C ZINC000575066487 823903119 /nfs/dbraw/zinc/90/31/19/823903119.db2.gz UICVJBPRRFGSOU-RDTXWAMCSA-N 1 0 377.916 4.138 20 0 GIADRO COc1cc(F)c([C@H](C)[NH2+][C@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)cc1OC ZINC000168550950 823903562 /nfs/dbraw/zinc/90/35/62/823903562.db2.gz UMTSIHRMMITMPJ-OLZOCXBDSA-N 1 0 386.467 4.484 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1occc1-c1ccccc1 ZINC000126580505 823904399 /nfs/dbraw/zinc/90/43/99/823904399.db2.gz DQTLDLNBRCIGDK-UHFFFAOYSA-N 1 0 375.472 4.330 20 0 GIADRO CC(=O)N1CCC([NH2+][C@@H](C)c2nc(-c3ccc(Cl)cc3)c(C)s2)CC1 ZINC000168584735 823904442 /nfs/dbraw/zinc/90/44/42/823904442.db2.gz QPOMUGIXPGASPA-LBPRGKRZSA-N 1 0 377.941 4.433 20 0 GIADRO C[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1cccc(Br)c1 ZINC000462263374 823905044 /nfs/dbraw/zinc/90/50/44/823905044.db2.gz OGRCVXJOAJQTIK-ZOCIIQOWSA-N 1 0 387.321 4.114 20 0 GIADRO COc1cc(C)c([C@@H](C)NC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1OC ZINC000575074289 823905156 /nfs/dbraw/zinc/90/51/56/823905156.db2.gz PIZZTKZIAOKYAO-QGZVFWFLSA-N 1 0 382.504 4.099 20 0 GIADRO CC[C@H]([NH2+][C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1)[C@H]1C[C@H]1C ZINC000414087227 823905962 /nfs/dbraw/zinc/90/59/62/823905962.db2.gz BELXCUQGLMRWCA-AKQDLLBKSA-N 1 0 375.509 4.343 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1CNC(=S)Nc1ccc2c(c1)CCC2 ZINC000064892905 823906713 /nfs/dbraw/zinc/90/67/13/823906713.db2.gz JPWMLHLCXAGUMU-UHFFFAOYSA-N 1 0 397.588 4.383 20 0 GIADRO CC(C)(C)O[C@H]1C[C@@H]([NH2+]Cc2ccc(COC3CCOCC3)cc2)C1(C)C ZINC000414091533 823906933 /nfs/dbraw/zinc/90/69/33/823906933.db2.gz DOIYRVSDRBRYLC-RTWAWAEBSA-N 1 0 375.553 4.454 20 0 GIADRO O=C(c1cc(-c2ccccn2)ccc1Cl)N1CCC(C[NH+]2CCCC2)CC1 ZINC000169050122 823907840 /nfs/dbraw/zinc/90/78/40/823907840.db2.gz JVUINJRNXMIIOU-UHFFFAOYSA-N 1 0 383.923 4.350 20 0 GIADRO CC(=O)Nc1ccc(CN2CCC([NH2+][C@@H]3CCCc4nc(C)sc43)CC2)cc1 ZINC000575089159 823908439 /nfs/dbraw/zinc/90/84/39/823908439.db2.gz PUIWGQJDELMXEP-OAQYLSRUSA-N 1 0 398.576 4.042 20 0 GIADRO COCCC[C@@H]([NH2+]C[C@](C)(O)c1ccccc1)c1ccc(Br)cc1 ZINC000169142044 823909175 /nfs/dbraw/zinc/90/91/75/823909175.db2.gz JQMNKVNSQVFBLJ-UXHICEINSA-N 1 0 392.337 4.414 20 0 GIADRO CCCc1c(NC(=O)c2cccc(C[NH+](C)C)c2)cnn1-c1ccc(F)cc1 ZINC000192234029 823911001 /nfs/dbraw/zinc/91/10/01/823911001.db2.gz KCAGHABIKYWCIC-UHFFFAOYSA-N 1 0 380.467 4.278 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)c(C)c1 ZINC000414106481 823911237 /nfs/dbraw/zinc/91/12/37/823911237.db2.gz IMDFWPSPMAIYPW-CRAIPNDOSA-N 1 0 380.467 4.067 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC000462282547 823911853 /nfs/dbraw/zinc/91/18/53/823911853.db2.gz WMVGGBDHYDPOFI-SCLBCKFNSA-N 1 0 399.445 4.143 20 0 GIADRO CC(C)Cn1ncc(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1C(C)C ZINC000462288364 823913157 /nfs/dbraw/zinc/91/31/57/823913157.db2.gz ULIXYTYHEWDDHD-WIYYLYMNSA-N 1 0 397.567 4.305 20 0 GIADRO C/C=C/COc1ccc(CC[C@H](C)[NH2+]CCc2nnc3n2CCCCC3)cc1 ZINC000126622817 823913629 /nfs/dbraw/zinc/91/36/29/823913629.db2.gz AHYJEAAPEOQALN-RTLBZRNLSA-N 1 0 382.552 4.113 20 0 GIADRO Cc1nc(-c2cc([C@H](C)[NH2+]CCc3nnc4n3CCCCC4)cs2)cs1 ZINC000126626863 823914641 /nfs/dbraw/zinc/91/46/41/823914641.db2.gz BZQBYMDLQHASCH-ZDUSSCGKSA-N 1 0 387.578 4.391 20 0 GIADRO Cc1ccc(C[NH2+][C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)cc1S(C)(=O)=O ZINC000414127225 823915435 /nfs/dbraw/zinc/91/54/35/823915435.db2.gz FZDQDHTYWRHJEI-IEBWSBKVSA-N 1 0 377.937 4.478 20 0 GIADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H](C)c1nc(C(C)(C)C)cs1 ZINC000414126924 823915524 /nfs/dbraw/zinc/91/55/24/823915524.db2.gz RQHMZRKMZWRULQ-VXGBXAGGSA-N 1 0 398.370 4.104 20 0 GIADRO CCO[C@H]1C[C@@H]([NH2+][C@@H](C)c2sc(Cc3ccc(OC)c(OC)c3)nc2C)C1 ZINC000414137045 823917059 /nfs/dbraw/zinc/91/70/59/823917059.db2.gz GCKFPENMPBVCCV-RRQGHBQHSA-N 1 0 390.549 4.278 20 0 GIADRO C[C@H]([NH2+]C1CCC(CS(C)(=O)=O)CC1)c1csc(-c2ccccc2)n1 ZINC000414133435 823917126 /nfs/dbraw/zinc/91/71/26/823917126.db2.gz GSGNXZCTZKSASM-UQPPLGOBSA-N 1 0 378.563 4.064 20 0 GIADRO c1ccc2c(c1)cccc2OCC[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000064951374 823917753 /nfs/dbraw/zinc/91/77/53/823917753.db2.gz VRXMTORAGAJHDZ-FQEVSTJZSA-N 1 0 390.531 4.416 20 0 GIADRO Cc1cc(C)c(C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c(C)c1 ZINC000064951719 823917799 /nfs/dbraw/zinc/91/77/99/823917799.db2.gz CMSJFRKUFSWNGF-UHFFFAOYSA-N 1 0 376.460 4.054 20 0 GIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NS(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000064956853 823918235 /nfs/dbraw/zinc/91/82/35/823918235.db2.gz KHBJHSNXRSVJMQ-ZFWWWQNUSA-N 1 0 399.343 4.107 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NS(=O)(=O)/C=C/c2ccc(Cl)cc2)C1 ZINC000064956743 823918380 /nfs/dbraw/zinc/91/83/80/823918380.db2.gz ZOPUOUUEJFMIML-STKMQCMOSA-N 1 0 390.936 4.066 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)CCC(=O)c1ccc(Cl)cc1 ZINC000126645505 823918402 /nfs/dbraw/zinc/91/84/02/823918402.db2.gz QEHKCIRLGPCKSA-UHFFFAOYSA-N 1 0 399.922 4.073 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)NCc1ccco1)c1ccc(C(F)(F)F)cc1 ZINC000064960303 823918656 /nfs/dbraw/zinc/91/86/56/823918656.db2.gz HGYQIPSMVMYAQH-QGZVFWFLSA-N 1 0 383.414 4.181 20 0 GIADRO Cc1cc(C[NH2+][C@@H](C)c2ccc(C(=O)N(C)C)cc2)ccc1Br ZINC000414147729 823918660 /nfs/dbraw/zinc/91/86/60/823918660.db2.gz QVMYPZDZUYOOLP-AWEZNQCLSA-N 1 0 375.310 4.310 20 0 GIADRO CC(C)(C)O[C@@H]1C[C@@H]([NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)C1(C)C ZINC000414156202 823919338 /nfs/dbraw/zinc/91/93/38/823919338.db2.gz ULFSPTAQGINWQQ-BHUNQDJPSA-N 1 0 376.507 4.364 20 0 GIADRO CC[C@H]([NH2+]C1CCN([C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1)[C@@H]1CC1(C)C ZINC000414152606 823919541 /nfs/dbraw/zinc/91/95/41/823919541.db2.gz RBABHQKWCOTQKY-NDXORKPFSA-N 1 0 392.609 4.030 20 0 GIADRO COC(=O)c1cnc([C@H](C)[NH2+]CC2(OC)CCC(c3ccccc3)CC2)s1 ZINC000414163709 823920983 /nfs/dbraw/zinc/92/09/83/823920983.db2.gz NOFCFELOOYFPRG-NNDYNSRJSA-N 1 0 388.533 4.323 20 0 GIADRO CCN1CC[C@H]([NH2+]Cc2cc(C)c(C(=O)OC)o2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000575140317 823921931 /nfs/dbraw/zinc/92/19/31/823921931.db2.gz PLWXWHIQRBGZPO-ROUUACIJSA-N 1 0 394.874 4.092 20 0 GIADRO COc1ccc([C@@H](CO)C[NH2+][C@@H](Cc2cccnc2)c2ccc(Cl)cc2)cc1 ZINC000414169192 823922228 /nfs/dbraw/zinc/92/22/28/823922228.db2.gz ATYZPWTYMVQZMC-OFNKIYASSA-N 1 0 396.918 4.393 20 0 GIADRO CC[C@@H]([NH2+]C1CCC(C(F)F)CC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000414182537 823924308 /nfs/dbraw/zinc/92/43/08/823924308.db2.gz MTZOLNMSQQXAOB-ABIUDSBCSA-N 1 0 394.915 4.113 20 0 GIADRO C[C@@H]1C[C@H](N[C@@H](c2nccn2C)c2ccccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000575152193 823924470 /nfs/dbraw/zinc/92/44/70/823924470.db2.gz NXVYUJFNYNPUOF-KKLQWCBXSA-N 1 0 392.522 4.291 20 0 GIADRO CN(C)C(=O)c1cccc(C[NH2+]C2(c3ccc(Br)cc3)CCC2)c1 ZINC000170643579 823925070 /nfs/dbraw/zinc/92/50/70/823925070.db2.gz UIQYUFVKJUUTND-UHFFFAOYSA-N 1 0 387.321 4.320 20 0 GIADRO Cc1ccc(NC(=O)N2CCc3cc(Cl)ccc3C2)c(OCC[NH+](C)C)c1 ZINC000192271315 823925646 /nfs/dbraw/zinc/92/56/46/823925646.db2.gz YYTQEPHBVMBIPU-UHFFFAOYSA-N 1 0 387.911 4.179 20 0 GIADRO C[N@H+](CCCc1cc(-c2ccccc2)no1)Cc1cc(=O)oc2cc(O)ccc12 ZINC000170647101 823925709 /nfs/dbraw/zinc/92/57/09/823925709.db2.gz RVPGZSHNNBUEHJ-UHFFFAOYSA-N 1 0 390.439 4.218 20 0 GIADRO COc1ccc([C@@H](CO)C[NH2+][C@@H](C)c2cc(Br)ccc2F)cc1 ZINC000414196716 823925910 /nfs/dbraw/zinc/92/59/10/823925910.db2.gz VXLYTCYXEPYKFI-GXTWGEPZSA-N 1 0 382.273 4.024 20 0 GIADRO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](Cc2cc(Cl)cc3cccnc32)C1 ZINC000170647492 823925905 /nfs/dbraw/zinc/92/59/05/823925905.db2.gz XCWWLECDDLSFLT-AWEZNQCLSA-N 1 0 375.900 4.235 20 0 GIADRO CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000170647190 823925987 /nfs/dbraw/zinc/92/59/87/823925987.db2.gz HPMNCMYNEMRJCN-LJQANCHMSA-N 1 0 397.519 4.007 20 0 GIADRO C[C@H]([NH2+][C@H]1c2sccc2OC(C)(C)[C@@H]1O)c1cccc(Br)c1 ZINC000414194820 823926053 /nfs/dbraw/zinc/92/60/53/823926053.db2.gz WZBIZUNIUMRJTC-JMPLFQLZSA-N 1 0 382.323 4.434 20 0 GIADRO O=C(Nc1ccc(Oc2cccnc2)cc1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000575158683 823926766 /nfs/dbraw/zinc/92/67/66/823926766.db2.gz FKHHAMDEIHUXBB-SFHVURJKSA-N 1 0 380.492 4.214 20 0 GIADRO COc1ccc([C@H](CO)C[NH2+][C@@H](C)c2ccc(F)c(Br)c2)cc1 ZINC000414201766 823927538 /nfs/dbraw/zinc/92/75/38/823927538.db2.gz YQZJSXXNGDSIIX-WFASDCNBSA-N 1 0 382.273 4.024 20 0 GIADRO Cc1csc(CCCNC(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)n1 ZINC000170660170 823927751 /nfs/dbraw/zinc/92/77/51/823927751.db2.gz GMGHGLIXNQIERN-UHFFFAOYSA-N 1 0 393.556 4.446 20 0 GIADRO CC[C@@H](C)n1ncc(C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1C1CC1 ZINC000126690603 823928326 /nfs/dbraw/zinc/92/83/26/823928326.db2.gz ZHRRGGQQTGOSEM-UYAOXDASSA-N 1 0 394.563 4.326 20 0 GIADRO CCn1ccc(C[NH2+][C@@H](C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)n1 ZINC000414207493 823928435 /nfs/dbraw/zinc/92/84/35/823928435.db2.gz KEIZPBUBBXVQSF-NSHDSACASA-N 1 0 388.821 4.082 20 0 GIADRO Cc1ccc(C[NH2+][C@H](C)c2cc(S(N)(=O)=O)c(C)cc2C)c2ccccc12 ZINC000414206523 823928562 /nfs/dbraw/zinc/92/85/62/823928562.db2.gz FTQYXMFEMJFDEI-QGZVFWFLSA-N 1 0 382.529 4.263 20 0 GIADRO Cc1ccc(-c2ccsc2C(=O)N(C)C2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000065039139 823928460 /nfs/dbraw/zinc/92/84/60/823928460.db2.gz GAESWQTXYKFAQL-UHFFFAOYSA-N 1 0 398.572 4.439 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H]2CCCc3ccc(OC)cc32)c1 ZINC000414208824 823929105 /nfs/dbraw/zinc/92/91/05/823929105.db2.gz JWYDRDQNPRAVLQ-HXUWFJFHSA-N 1 0 393.936 4.309 20 0 GIADRO Clc1c(Br)cccc1C[NH2+]C1CCN(c2ccccn2)CC1 ZINC000414207923 823929367 /nfs/dbraw/zinc/92/93/67/823929367.db2.gz HYPDWXYMRSAYTN-UHFFFAOYSA-N 1 0 380.717 4.256 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H](C)CCCc2cccnc2)c1 ZINC000414212234 823929674 /nfs/dbraw/zinc/92/96/74/823929674.db2.gz QDPOQIOLBMEWRJ-OAHLLOKOSA-N 1 0 380.941 4.030 20 0 GIADRO Fc1ccc([C@@H](Cc2ccccc2Br)[NH2+]CCc2cn[nH]c2)cc1 ZINC000575167261 823929878 /nfs/dbraw/zinc/92/98/78/823929878.db2.gz XHQCZQZKYRPYEA-LJQANCHMSA-N 1 0 388.284 4.427 20 0 GIADRO CC1(c2ccc(Cl)cc2)CCN(C(=O)c2cc(CN3CCCC3)on2)CC1 ZINC000462338058 823930056 /nfs/dbraw/zinc/93/00/56/823930056.db2.gz GOOLAFQELYQMLH-UHFFFAOYSA-N 1 0 387.911 4.118 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H](C)c2ccc(F)c(OC)c2)c1 ZINC000414214966 823931053 /nfs/dbraw/zinc/93/10/53/823931053.db2.gz WFVUWKQBOJRZLW-GFCCVEGCSA-N 1 0 385.888 4.132 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H]2CCCOc3ccc(C)cc32)c1 ZINC000414215834 823931418 /nfs/dbraw/zinc/93/14/18/823931418.db2.gz YHFSLBXHSMFFQN-IBGZPJMESA-N 1 0 393.936 4.446 20 0 GIADRO Cc1ccc2cc(C(=O)Nc3nc4c(s3)C[N@@H+](C(C)(C)C)CC4)ccc2n1 ZINC000575175805 823931631 /nfs/dbraw/zinc/93/16/31/823931631.db2.gz SAMMJPIUOCCZHX-UHFFFAOYSA-N 1 0 380.517 4.409 20 0 GIADRO CC1(C(=O)N2CCC(c3ccncc3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000192282117 823931798 /nfs/dbraw/zinc/93/17/98/823931798.db2.gz UZJDZTHFFJQFME-UHFFFAOYSA-N 1 0 377.532 4.090 20 0 GIADRO CC(=O)Nc1ccc(F)c(C(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)c1 ZINC000065062486 823931876 /nfs/dbraw/zinc/93/18/76/823931876.db2.gz OGXIHPOIVVHKNL-UHFFFAOYSA-N 1 0 383.467 4.268 20 0 GIADRO C[C@@H]([NH2+]CC1(c2c(F)cccc2F)CCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000414224736 823933327 /nfs/dbraw/zinc/93/33/27/823933327.db2.gz AYTNSUBMKNHGTO-CQSZACIVSA-N 1 0 379.472 4.141 20 0 GIADRO O=C(CC(C1CC1)C1CC1)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000065065948 823933426 /nfs/dbraw/zinc/93/34/26/823933426.db2.gz ZSSMXCCQQQQLHD-UHFFFAOYSA-N 1 0 383.536 4.266 20 0 GIADRO COc1ccc(NC(=O)N[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)cc1SC ZINC000575185825 823933821 /nfs/dbraw/zinc/93/38/21/823933821.db2.gz KSEXRMNGQAYCPL-NRFANRHFSA-N 1 0 385.533 4.203 20 0 GIADRO C[C@@H](CC(=O)N(C)CCC[N@H+](C)Cc1ccncc1)c1c[nH]c2ccccc21 ZINC000575187639 823934284 /nfs/dbraw/zinc/93/42/84/823934284.db2.gz VPIKMSBMVIMVEK-SFHVURJKSA-N 1 0 378.520 4.037 20 0 GIADRO COc1ccc([C@H](Cc2ccccc2)NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000462348426 823934924 /nfs/dbraw/zinc/93/49/24/823934924.db2.gz ONAGXNMKWKRIAM-JZWVFAODSA-N 1 0 395.547 4.103 20 0 GIADRO Cc1ccc([C@H]([NH2+][C@H]2CS[C@H](C)C2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000414233956 823935190 /nfs/dbraw/zinc/93/51/90/823935190.db2.gz RRLOKZFDNNROCT-HGHGUNKESA-N 1 0 389.586 4.280 20 0 GIADRO CC[NH+](CC)[C@H]1CCN(C(=O)N[C@H](Cc2ccccc2)c2ccc(OC)cc2)C1 ZINC000462349255 823935238 /nfs/dbraw/zinc/93/52/38/823935238.db2.gz RCPJJUZFCKWVMW-JTHBVZDNSA-N 1 0 395.547 4.105 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)N[C@@H](c1ccccc1)[C@@H]1CCCO1 ZINC000170679730 823935562 /nfs/dbraw/zinc/93/55/62/823935562.db2.gz WJLQVFRUVLKVNQ-GOTSBHOMSA-N 1 0 393.531 4.002 20 0 GIADRO CC[C@H]([NH2+]C[C@@H]1CCO[C@H]1c1cnn(CC)c1)c1ccccc1OC(F)F ZINC000414236627 823936009 /nfs/dbraw/zinc/93/60/09/823936009.db2.gz ALWIIMAWQSMURY-UCLAIMLFSA-N 1 0 379.451 4.323 20 0 GIADRO Cc1cc(NC(=O)[C@H](C)[NH2+][C@@H](Cc2cccc(F)c2)c2cccc(F)c2)on1 ZINC000126724952 823936546 /nfs/dbraw/zinc/93/65/46/823936546.db2.gz CDORXSWHBZJAES-LIRRHRJNSA-N 1 0 385.414 4.162 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+]C/C(C)=C\c2ccccc2C(F)(F)F)[C@@H]1n1cccn1 ZINC000575199816 823936689 /nfs/dbraw/zinc/93/66/89/823936689.db2.gz HPSKWVROPKLPCI-DMGKAAEYSA-N 1 0 379.426 4.314 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@@H](C)c2ccccc2Br)cn1 ZINC000414238365 823936992 /nfs/dbraw/zinc/93/69/92/823936992.db2.gz CAWDRTWSBCMBRY-SUNYJGFJSA-N 1 0 378.314 4.094 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@H](C)c2ccc(Br)s2)cn1 ZINC000414240186 823937592 /nfs/dbraw/zinc/93/75/92/823937592.db2.gz DORWOFBUBGPUEA-BFQNTYOBSA-N 1 0 384.343 4.155 20 0 GIADRO C[N@@H+]1CC[C@@H](NC(=O)Nc2cc(Cl)c(N)c(Cl)c2)[C@@H]1c1ccccc1 ZINC000192299058 823938988 /nfs/dbraw/zinc/93/89/88/823938988.db2.gz YXWKXCKEWMOULM-WBVHZDCISA-N 1 0 379.291 4.143 20 0 GIADRO CC[C@H]([NH2+]C[C@@H]1CCO[C@H]1c1cnn(CC)c1)c1cc(Cl)ccc1OC ZINC000414247092 823939714 /nfs/dbraw/zinc/93/97/14/823939714.db2.gz NYXBXHPYWXXDDP-ADLFWFRXSA-N 1 0 377.916 4.384 20 0 GIADRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccco1)c1nc(-c2ccccc2)cs1 ZINC000126749245 823941241 /nfs/dbraw/zinc/94/12/41/823941241.db2.gz LWEIBKLQIDQOSP-INIZCTEOSA-N 1 0 398.532 4.238 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@H](C)CC(=O)Nc2ccccc2C(C)C)cn1 ZINC000414252873 823941750 /nfs/dbraw/zinc/94/17/50/823941750.db2.gz SYFCXORDOKFKPU-IEGUWTFLSA-N 1 0 398.551 4.111 20 0 GIADRO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]C[C@@H]1C[C@H](C)O[C@H]1C ZINC000414253943 823942455 /nfs/dbraw/zinc/94/24/55/823942455.db2.gz IOPXPURSEDLGGA-VOAKCMCISA-N 1 0 392.849 4.479 20 0 GIADRO COc1ccc(C[N@H+](C[C@@H](C)c2ccccc2)[C@@H](C)CO)c(Cl)c1OC ZINC000575218715 823943048 /nfs/dbraw/zinc/94/30/48/823943048.db2.gz KHJXVNIDPZQFMV-CVEARBPZSA-N 1 0 377.912 4.344 20 0 GIADRO COC(=O)c1cccc(C[NH2+]Cc2ccc(Br)c3cccnc23)c1 ZINC000575217889 823943091 /nfs/dbraw/zinc/94/30/91/823943091.db2.gz GKZZIYGEZPWGER-UHFFFAOYSA-N 1 0 385.261 4.074 20 0 GIADRO C[C@@H](C[NH2+]Cc1ccccc1OCC(F)(F)F)N1CCc2ccccc2C1 ZINC000462366741 823943792 /nfs/dbraw/zinc/94/37/92/823943792.db2.gz XAUNLFJTISZXGJ-INIZCTEOSA-N 1 0 378.438 4.164 20 0 GIADRO Cc1oc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)nc1C1CC1 ZINC000575221583 823944047 /nfs/dbraw/zinc/94/40/47/823944047.db2.gz FVOKGUDMUFVFBW-UXHICEINSA-N 1 0 394.519 4.379 20 0 GIADRO CCc1ccc([C@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)C(C)C)cc1 ZINC000414263041 823945360 /nfs/dbraw/zinc/94/53/60/823945360.db2.gz PEFSTHRCEMAXAH-LJQANCHMSA-N 1 0 380.941 4.037 20 0 GIADRO CO[C@](C)(C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1)c1ccccc1F ZINC000192321113 823945667 /nfs/dbraw/zinc/94/56/67/823945667.db2.gz ZHHXERWKJZCGBP-HXOBKFHXSA-N 1 0 384.495 4.029 20 0 GIADRO Cc1nc2cc(C(=O)NC[C@H]3CCCC[N@H+](Cc4ccccc4)C3)ccc2o1 ZINC000575227437 823946897 /nfs/dbraw/zinc/94/68/97/823946897.db2.gz PEAHZGQADQLTNX-LJQANCHMSA-N 1 0 377.488 4.168 20 0 GIADRO CC(C)c1c(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cnn1-c1ccccc1 ZINC000192329107 823947405 /nfs/dbraw/zinc/94/74/05/823947405.db2.gz WKMUALYEXYPPEQ-UHFFFAOYSA-N 1 0 383.540 4.426 20 0 GIADRO CC(C)(CC[NH2+][C@@H]1CCCCc2cc(Br)ccc21)S(C)(=O)=O ZINC000414271943 823948568 /nfs/dbraw/zinc/94/85/68/823948568.db2.gz XLNBNFJKFDSODF-MRXNPFEDSA-N 1 0 388.371 4.020 20 0 GIADRO CCCC[N@H+](C)C[C@H](C)NC(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000575239845 823949769 /nfs/dbraw/zinc/94/97/69/823949769.db2.gz VXFJUWVOMSIDGN-KRWDZBQOSA-N 1 0 382.508 4.181 20 0 GIADRO CN1CCCN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)c2ccccc21 ZINC000192335360 823949924 /nfs/dbraw/zinc/94/99/24/823949924.db2.gz BLRIUWATAPVLQX-UHFFFAOYSA-N 1 0 377.532 4.162 20 0 GIADRO Cc1cc(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c(C)n1-c1ccccn1 ZINC000065140365 823949836 /nfs/dbraw/zinc/94/98/36/823949836.db2.gz LGANDDZOCYRCPS-GHTZIAJQSA-N 1 0 388.515 4.054 20 0 GIADRO COc1cc([C@H](C)[NH2+]Cc2ccc(S(C)(=O)=O)s2)ccc1OCC(C)C ZINC000414277095 823950022 /nfs/dbraw/zinc/95/00/22/823950022.db2.gz YZHWEIJMMNTTBF-AWEZNQCLSA-N 1 0 397.562 4.046 20 0 GIADRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cnn(-c2ccccc2)c1C(C)C ZINC000192334597 823950087 /nfs/dbraw/zinc/95/00/87/823950087.db2.gz MLSHDNLQCPUZBC-PKOBYXMFSA-N 1 0 381.524 4.086 20 0 GIADRO CCCc1c(NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cnn1-c1ccc(C)cc1 ZINC000575241675 823950123 /nfs/dbraw/zinc/95/01/23/823950123.db2.gz DXFYRMRBVMAOQL-FQEVSTJZSA-N 1 0 395.551 4.225 20 0 GIADRO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@@H](C)CC(F)(F)F ZINC000414289874 823951993 /nfs/dbraw/zinc/95/19/93/823951993.db2.gz WINLDGYBCWKGCS-WDEREUQCSA-N 1 0 386.336 4.480 20 0 GIADRO C[C@H](C[NH2+][C@@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1)CC(F)(F)F ZINC000414295198 823953313 /nfs/dbraw/zinc/95/33/13/823953313.db2.gz ZPHCILWGPZRORT-RRFJBIMHSA-N 1 0 382.426 4.162 20 0 GIADRO COc1ccc([C@H](C)[NH2+]C[C@@H](CO)c2ccc(F)cc2)cc1Br ZINC000414300513 823954157 /nfs/dbraw/zinc/95/41/57/823954157.db2.gz AVQVBXSWWXKGDQ-WFASDCNBSA-N 1 0 382.273 4.024 20 0 GIADRO CC(C)(C)[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)c1ccc(F)cc1 ZINC000414305555 823954470 /nfs/dbraw/zinc/95/44/70/823954470.db2.gz RWCXFMWVQHTMAF-KRWDZBQOSA-N 1 0 384.904 4.004 20 0 GIADRO Cc1nn(-c2cccc(F)c2)cc1C[NH2+]Cc1ccc(NC(=O)NC(C)C)cc1 ZINC000414305486 823954670 /nfs/dbraw/zinc/95/46/70/823954670.db2.gz YKVTZQNESBKMCT-UHFFFAOYSA-N 1 0 395.482 4.140 20 0 GIADRO COCCCC[N@H+](Cc1ccccc1)Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000065165024 823955883 /nfs/dbraw/zinc/95/58/83/823955883.db2.gz XVVRFLMDJCBDGE-UHFFFAOYSA-N 1 0 380.532 4.351 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCCc2c(O)cccc21)C(=O)Nc1ccccc1C(F)(F)F ZINC000192352673 823956775 /nfs/dbraw/zinc/95/67/75/823956775.db2.gz UCZPUCIEDAJLCV-MLGOLLRUSA-N 1 0 378.394 4.405 20 0 GIADRO O=C(c1cc2ccc(OC(F)(F)F)cc2[nH]1)N1CCC([NH2+]C2CCCC2)CC1 ZINC000126812654 823957847 /nfs/dbraw/zinc/95/78/47/823957847.db2.gz ZQCVUCVTVIMOMK-UHFFFAOYSA-N 1 0 395.425 4.203 20 0 GIADRO c1csc(-c2ncc(CNC[C@H]3C[N@H+](Cc4ccccc4)CCCO3)s2)c1 ZINC000192356313 823957959 /nfs/dbraw/zinc/95/79/59/823957959.db2.gz MKJRURMDYKHHEX-SFHVURJKSA-N 1 0 399.585 4.252 20 0 GIADRO CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000414323961 823958479 /nfs/dbraw/zinc/95/84/79/823958479.db2.gz WIUOSFKRUJDEPG-IIBYNOLFSA-N 1 0 397.494 4.061 20 0 GIADRO O=C(c1ccc(F)cc1)c1ccccc1C(=O)N1CCC([NH2+]C2CCCC2)CC1 ZINC000126817920 823958570 /nfs/dbraw/zinc/95/85/70/823958570.db2.gz DXAKWKWPXIOOIC-UHFFFAOYSA-N 1 0 394.490 4.194 20 0 GIADRO C[N@H+](Cc1ccccc1)C1CCC(Nc2cccc([C@@H]3CCC(=O)N3)c2)CC1 ZINC000414327355 823958747 /nfs/dbraw/zinc/95/87/47/823958747.db2.gz YJTBZSAPODYPEM-SDVLMSEASA-N 1 0 377.532 4.493 20 0 GIADRO Cc1cccc(COc2ccc([C@H](C)[NH2+]Cc3cnc(N(C)C)n3C)cc2)c1 ZINC000414326119 823959012 /nfs/dbraw/zinc/95/90/12/823959012.db2.gz DORGQWIZGAUHPX-SFHVURJKSA-N 1 0 378.520 4.224 20 0 GIADRO C[NH+]1CCC(C(=O)NC[C@H](OCc2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000575347161 823959309 /nfs/dbraw/zinc/95/93/09/823959309.db2.gz NRQWPJPSBFFQEQ-NRFANRHFSA-N 1 0 386.923 4.056 20 0 GIADRO CS(=O)(=O)CC1(C[NH2+][C@@H](c2ccccc2)c2ccc(Cl)cc2)CCC1 ZINC000414328232 823959310 /nfs/dbraw/zinc/95/93/10/823959310.db2.gz NRDGWTZRQIDBNZ-IBGZPJMESA-N 1 0 377.937 4.234 20 0 GIADRO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@H]1CCC[C@H](CO)C1 ZINC000414328214 823959441 /nfs/dbraw/zinc/95/94/41/823959441.db2.gz CIWPIIKLSXXSCM-AGIUHOORSA-N 1 0 392.849 4.217 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)N(C)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000575354824 823961050 /nfs/dbraw/zinc/96/10/50/823961050.db2.gz HZNXRDJVXXDORJ-DLBZAZTESA-N 1 0 386.565 4.129 20 0 GIADRO CCc1ncc(C[NH2+][C@H](Cc2ccc(OC)c(OC)c2)c2ccccc2)cn1 ZINC000414340349 823961263 /nfs/dbraw/zinc/96/12/63/823961263.db2.gz MVIPHCXAVJUTND-HXUWFJFHSA-N 1 0 377.488 4.130 20 0 GIADRO C[N@@H+]1CCC[C@H]1CCSc1nnc(-c2ccccc2F)n1Cc1ccco1 ZINC000126832296 823962110 /nfs/dbraw/zinc/96/21/10/823962110.db2.gz LFLUFHOLWOQHDY-HNNXBMFYSA-N 1 0 386.496 4.302 20 0 GIADRO CC[N@H+](CCC1CCN(C(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)CC1)CC1CC1 ZINC000575364162 823962137 /nfs/dbraw/zinc/96/21/37/823962137.db2.gz UPGGYEVMWNSKPF-FGZHOGPDSA-N 1 0 387.543 4.225 20 0 GIADRO Cc1c([C@@H](C)[NH2+][C@H](C)C(=O)NC(C)C)cnn1-c1ccc(Cl)cc1Cl ZINC000414345729 823962327 /nfs/dbraw/zinc/96/23/27/823962327.db2.gz PCJWIEDETGOTIY-VXGBXAGGSA-N 1 0 383.323 4.051 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@H](C)C(=O)NC(C)C)cnn1-c1ccc(Cl)cc1Cl ZINC000414345724 823962352 /nfs/dbraw/zinc/96/23/52/823962352.db2.gz PCJWIEDETGOTIY-NWDGAFQWSA-N 1 0 383.323 4.051 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCC[C@@H](CO)C1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000414349484 823962895 /nfs/dbraw/zinc/96/28/95/823962895.db2.gz YCIMSNDLRGYBNG-NLWGTHIKSA-N 1 0 379.504 4.115 20 0 GIADRO C[C@H]([NH2+][C@H]1CCC[C@@H](CO)C1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000414349486 823962967 /nfs/dbraw/zinc/96/29/67/823962967.db2.gz YCIMSNDLRGYBNG-NSHGMRRFSA-N 1 0 379.504 4.115 20 0 GIADRO C[C@@H]([NH2+]C1CCN(Cc2cccc(Br)c2)CC1)c1nccs1 ZINC000414352357 823963169 /nfs/dbraw/zinc/96/31/69/823963169.db2.gz PMDDQGCVHJHART-CYBMUJFWSA-N 1 0 380.355 4.221 20 0 GIADRO C[C@@H]([NH2+]C1CCN(Cc2cccc(Br)c2)CC1)c1cncc(F)c1 ZINC000414353133 823963184 /nfs/dbraw/zinc/96/31/84/823963184.db2.gz RGLJAXPIBWLUHK-CQSZACIVSA-N 1 0 392.316 4.298 20 0 GIADRO C[C@H](Cc1ccoc1)[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000414354287 823963335 /nfs/dbraw/zinc/96/33/35/823963335.db2.gz URCDBXQLKGKSGA-OAHLLOKOSA-N 1 0 377.326 4.227 20 0 GIADRO CCC[C@@H](NC(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1)c1ccccc1 ZINC000170756674 823963471 /nfs/dbraw/zinc/96/34/71/823963471.db2.gz UCDZELLGKYEJQK-HSZRJFAPSA-N 1 0 394.563 4.271 20 0 GIADRO C[C@H]([NH2+]C[C@H]1CCCN(Cc2cccs2)C1)c1cccc(N2CCCC2=O)c1 ZINC000126839168 823963511 /nfs/dbraw/zinc/96/35/11/823963511.db2.gz XUFANAKTFSQJOK-RBUKOAKNSA-N 1 0 397.588 4.438 20 0 GIADRO CC(C)(C[NH2+]Cc1ccc(S(C)(=O)=O)s1)c1ccc(F)cc1Cl ZINC000414355749 823963840 /nfs/dbraw/zinc/96/38/40/823963840.db2.gz XTWKPXAVSDRIFU-UHFFFAOYSA-N 1 0 375.918 4.012 20 0 GIADRO Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C[C@@H](c1ccccc1)C(C)(C)CO ZINC000414357777 823964314 /nfs/dbraw/zinc/96/43/14/823964314.db2.gz DTFSTQDHDIGHAW-QFIPXVFZSA-N 1 0 381.495 4.212 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)N1CCCCC[C@@H]1c1ccncc1)c1cccc(F)c1 ZINC000126846172 823964701 /nfs/dbraw/zinc/96/47/01/823964701.db2.gz HYJSBSKXMWSOBF-NHCUHLMSSA-N 1 0 384.499 4.150 20 0 GIADRO CC1CC[NH+](CCc2cccc(NCc3ccc(S(C)(=O)=O)s3)c2)CC1 ZINC000414363084 823965935 /nfs/dbraw/zinc/96/59/35/823965935.db2.gz GBIIRZXGXQWIIA-UHFFFAOYSA-N 1 0 392.590 4.038 20 0 GIADRO Cc1cccc([C@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)C(C)(C)C)c1 ZINC000414364599 823966452 /nfs/dbraw/zinc/96/64/52/823966452.db2.gz MUGJKUGCGXULFL-SFHVURJKSA-N 1 0 380.941 4.173 20 0 GIADRO CC(C)c1cnc(NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)s1 ZINC000192390040 823968493 /nfs/dbraw/zinc/96/84/93/823968493.db2.gz WVQLYVGGGATALY-UHFFFAOYSA-N 1 0 376.501 4.192 20 0 GIADRO CC(C)c1cc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nn1-c1ccccc1 ZINC000126860514 823968551 /nfs/dbraw/zinc/96/85/51/823968551.db2.gz MMBQILHNFNKXCB-GCJKJVERSA-N 1 0 392.547 4.085 20 0 GIADRO CN(C(=O)c1ncoc1-c1ccccc1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000126865341 823969575 /nfs/dbraw/zinc/96/95/75/823969575.db2.gz IWZGQEQZOUDLIB-UHFFFAOYSA-N 1 0 391.471 4.093 20 0 GIADRO NS(=O)(=O)c1ccc(C[NH2+][C@H](c2cccc(F)c2)C2CCCC2)cc1Cl ZINC000414379589 823969820 /nfs/dbraw/zinc/96/98/20/823969820.db2.gz NBCXNABRKMTPBM-IBGZPJMESA-N 1 0 396.915 4.148 20 0 GIADRO COc1ccc(COC[C@@H](O)C[N@H+](CC(C)C)[C@@H]2CCCc3cccnc32)cc1 ZINC000126870384 823970846 /nfs/dbraw/zinc/97/08/46/823970846.db2.gz RRDOTCWKSFLKRJ-JTHBVZDNSA-N 1 0 398.547 4.003 20 0 GIADRO NS(=O)(=O)c1ccc(C[NH2+]C2(c3ccc(Cl)cc3)CCCC2)cc1Cl ZINC000414401393 823971947 /nfs/dbraw/zinc/97/19/47/823971947.db2.gz YZLBVDRKEKWCRQ-UHFFFAOYSA-N 1 0 399.343 4.200 20 0 GIADRO COc1cccc(Cl)c1CC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000462434331 823973652 /nfs/dbraw/zinc/97/36/52/823973652.db2.gz BKQBGODNLUBGEP-UHFFFAOYSA-N 1 0 386.923 4.193 20 0 GIADRO O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000126888940 823974510 /nfs/dbraw/zinc/97/45/10/823974510.db2.gz USRMOHKMYNLFOO-UHFFFAOYSA-N 1 0 392.421 4.162 20 0 GIADRO O=C(c1ccc2c(c1)CCCCC2=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000575628781 823979850 /nfs/dbraw/zinc/97/98/50/823979850.db2.gz YZQJWCKVAVLCSR-IBGZPJMESA-N 1 0 382.548 4.324 20 0 GIADRO O=C(C[NH+]1CCCCCCC1)Nc1ccc(NCc2cnc3ccccn23)cc1 ZINC000126920373 823980933 /nfs/dbraw/zinc/98/09/33/823980933.db2.gz PZYIXWFTORCKQY-UHFFFAOYSA-N 1 0 391.519 4.151 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc3c2OCCC3)[C@@H]1c1cccs1 ZINC000575636407 823982060 /nfs/dbraw/zinc/98/20/60/823982060.db2.gz NUQUAUANZPITTM-QFBILLFUSA-N 1 0 385.533 4.278 20 0 GIADRO CC(C)Oc1ccccc1[C@H](C)[NH2+][C@@H]1CCCc2c1cnn2-c1ncccn1 ZINC000575734464 823983135 /nfs/dbraw/zinc/98/31/35/823983135.db2.gz UUMGNNSMPGKPJI-QFBILLFUSA-N 1 0 377.492 4.178 20 0 GIADRO O=C(c1csc(Cc2ccc(F)cc2)n1)N1CCC([NH2+]C2CCCC2)CC1 ZINC000126928922 823983304 /nfs/dbraw/zinc/98/33/04/823983304.db2.gz QPLHQOGXCBIEFY-UHFFFAOYSA-N 1 0 387.524 4.010 20 0 GIADRO COc1cc([C@@H](C)[NH2+]CCOc2ncc(C(F)(F)F)cc2Cl)c(F)cn1 ZINC000575735960 823983681 /nfs/dbraw/zinc/98/36/81/823983681.db2.gz OFPHWVLYDUJVHA-SECBINFHSA-N 1 0 393.768 4.026 20 0 GIADRO CCC(CC)n1ncc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1C ZINC000126938052 823985213 /nfs/dbraw/zinc/98/52/13/823985213.db2.gz AJUSJSMERXWQRK-JTSKRJEESA-N 1 0 382.552 4.193 20 0 GIADRO Cc1nn(-c2cccc(F)c2)cc1CN(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000414443579 823986443 /nfs/dbraw/zinc/98/64/43/823986443.db2.gz NUEKXYLDQSDORR-UHFFFAOYSA-N 1 0 382.483 4.009 20 0 GIADRO CCOc1ccc(NC(=O)c2ccc(NC(=O)C[NH2+][C@H]3CCC3(C)C)cc2)cc1 ZINC000575759322 823987754 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GIADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2c(F)cc(C(F)(F)F)cc2F)C1 ZINC000575790546 823997275 /nfs/dbraw/zinc/99/72/75/823997275.db2.gz NVNCNJXIFGGJLH-GFCCVEGCSA-N 1 0 378.385 4.226 20 0 GIADRO Cc1ccc(-c2ccc(C[NH2+][C@H](C)c3cccc(NS(C)(=O)=O)c3)o2)cc1 ZINC000126995694 823997378 /nfs/dbraw/zinc/99/73/78/823997378.db2.gz QSOCFGYFBWFSNO-MRXNPFEDSA-N 1 0 384.501 4.477 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+]Cc2cnc(CCc3ccccc3)s2)cn1 ZINC000414505596 823997576 /nfs/dbraw/zinc/99/75/76/823997576.db2.gz REAFDBDZDCJTGS-PGRDOPGGSA-N 1 0 396.560 4.012 20 0 GIADRO CCO[C@H](CC)C(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000575791755 823997763 /nfs/dbraw/zinc/99/77/63/823997763.db2.gz NTPDPNNHENZZIY-HSZRJFAPSA-N 1 0 380.532 4.381 20 0 GIADRO COc1ccc([C@@H](Cc2ccccc2)[NH2+]CCc2cn3c(n2)CCCC3)cc1 ZINC000575792108 823997828 /nfs/dbraw/zinc/99/78/28/823997828.db2.gz VGIQGXXUFDQLBT-HSZRJFAPSA-N 1 0 375.516 4.344 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000170878315 823998453 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GIADRO CCC(CC)c1cc(C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)on1 ZINC000127022600 824001954 /nfs/dbraw/zinc/00/19/54/824001954.db2.gz HGJXQSPQJXOPGA-UHFFFAOYSA-N 1 0 385.508 4.035 20 0 GIADRO Cc1nc2ccccc2nc1C[NH+]1CCC(CN(C)C(=O)OC(C)(C)C)CC1 ZINC000170902068 824003167 /nfs/dbraw/zinc/00/31/67/824003167.db2.gz ITCJSZSGAWJEAA-UHFFFAOYSA-N 1 0 384.524 4.017 20 0 GIADRO O=C1CCCN1[C@H]1CCC[N@@H+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000414533018 824003370 /nfs/dbraw/zinc/00/33/70/824003370.db2.gz AYSGDPYWTCNBGT-KRWDZBQOSA-N 1 0 395.330 4.246 20 0 GIADRO CC1(C)[C@H]([NH2+][C@@H]2CCN(C(=O)Nc3ccccc3)C2)C[C@@H]1Oc1ccccc1 ZINC000575821363 824003627 /nfs/dbraw/zinc/00/36/27/824003627.db2.gz XXFGPFIYFFMZOT-NRSPTQNISA-N 1 0 379.504 4.129 20 0 GIADRO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@@H+]1CC2(CCOCC2)[C@@H]1C(C)C ZINC000414537397 824004758 /nfs/dbraw/zinc/00/47/58/824004758.db2.gz YXSAGHLUPYCDOV-NRFANRHFSA-N 1 0 389.490 4.404 20 0 GIADRO OC[C@H]([NH2+]Cc1ccc(-c2ccc(C(F)(F)F)cc2)s1)[C@@H]1CCCOC1 ZINC000414539022 824005197 /nfs/dbraw/zinc/00/51/97/824005197.db2.gz ASRVZLNNRNVLAE-PBHICJAKSA-N 1 0 385.451 4.311 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@H]2CCN(C(=O)C3CCCC3)C2)ccc1SC(F)F ZINC000127037689 824005379 /nfs/dbraw/zinc/00/53/79/824005379.db2.gz CYWRAUSHDJNREJ-CJNGLKHVSA-N 1 0 398.519 4.452 20 0 GIADRO CC[C@@H](NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)c1nc(C)cs1 ZINC000170923390 824006018 /nfs/dbraw/zinc/00/60/18/824006018.db2.gz LVEATOWFVZYBGJ-LJQANCHMSA-N 1 0 386.565 4.114 20 0 GIADRO OC[C@H]([NH2+]Cc1ccc(-c2ccc(Br)cc2)s1)[C@H]1CCCOC1 ZINC000414541347 824006360 /nfs/dbraw/zinc/00/63/60/824006360.db2.gz CNDKOTHDAJHFPN-YOEHRIQHSA-N 1 0 396.350 4.055 20 0 GIADRO CC[C@@H]1C[C@@H](C[N@H+](C[C@@H](O)COc2ccccc2SC)C(C)C)CCO1 ZINC000414544886 824007488 /nfs/dbraw/zinc/00/74/88/824007488.db2.gz FRFYVBKKVXQSAR-IPMKNSEASA-N 1 0 381.582 4.064 20 0 GIADRO CCCCCOc1cc(C[N@@H+]2CCC[C@@H](N3CCCC3=O)CC2)ccc1OC ZINC000414548908 824008443 /nfs/dbraw/zinc/00/84/43/824008443.db2.gz KZMRDERFYQEGLZ-HXUWFJFHSA-N 1 0 388.552 4.241 20 0 GIADRO C[N@H+](CCCc1ccccc1)Cn1ccc(=O)c2cccc(Br)c21 ZINC000170938339 824008851 /nfs/dbraw/zinc/00/88/51/824008851.db2.gz FBOLAALFDCVXKU-UHFFFAOYSA-N 1 0 385.305 4.286 20 0 GIADRO Cc1ccc(NC(=O)C[NH2+][C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)c(C)c1 ZINC000575839464 824009295 /nfs/dbraw/zinc/00/92/95/824009295.db2.gz IPPVOVZGWRWIOF-CTNGQTDRSA-N 1 0 389.902 4.069 20 0 GIADRO OCC1(c2ccccc2)C[NH+](Cc2cccc(OCc3ccccc3F)c2)C1 ZINC000414550978 824009774 /nfs/dbraw/zinc/00/97/74/824009774.db2.gz OMPHCAYDSPMBHK-UHFFFAOYSA-N 1 0 377.459 4.151 20 0 GIADRO O=C1CCCN1Cc1ccc(CNCc2c(F)cccc2Br)cc1 ZINC000192492278 824009930 /nfs/dbraw/zinc/00/99/30/824009930.db2.gz ODRRKLWVRDDCOD-UHFFFAOYSA-N 1 0 391.284 4.000 20 0 GIADRO COC(=O)Nc1ccc(C(=O)Nc2ccc(-c3ncc4n3CCCC4)cc2)cc1 ZINC000192492303 824010000 /nfs/dbraw/zinc/01/00/00/824010000.db2.gz SJSBFTXVRWGKHD-UHFFFAOYSA-N 1 0 390.443 4.317 20 0 GIADRO COc1cc(C[N@@H+]2CCC[C@H](CCC(=O)OC(C)(C)C)C2)cc(OC)c1OC ZINC000414553443 824010667 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GIADRO CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]C1(CO)C2CC3CC(C2)CC1C3 ZINC000414565319 824014202 /nfs/dbraw/zinc/01/42/02/824014202.db2.gz WKGZXJDPVBEEME-QYIZGFRMSA-N 1 0 384.564 4.304 20 0 GIADRO COc1cc(C[NH2+][C@H](C)Cc2cn(C)c3ccc(F)cc23)cc(OC)c1OC ZINC000414570842 824014586 /nfs/dbraw/zinc/01/45/86/824014586.db2.gz STEHEYONUIETSR-CQSZACIVSA-N 1 0 386.467 4.064 20 0 GIADRO COc1ccc([C@@H]([NH2+]CC(=O)N(C)Cc2ccc(Cl)s2)C2CC2)cc1 ZINC000192509201 824015302 /nfs/dbraw/zinc/01/53/02/824015302.db2.gz NHXDSBJCTSQVRI-IBGZPJMESA-N 1 0 378.925 4.109 20 0 GIADRO OC[C@@H]1CCC[C@@H]([NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)C1 ZINC000414583206 824015780 /nfs/dbraw/zinc/01/57/80/824015780.db2.gz SAWPFTWYYCARAL-NFBKMPQASA-N 1 0 375.516 4.239 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1[nH]c(C)c(C(C)=O)c1C(C)C ZINC000127099757 824017184 /nfs/dbraw/zinc/01/71/84/824017184.db2.gz TYTPGAVQCSOZJC-UHFFFAOYSA-N 1 0 383.536 4.373 20 0 GIADRO c1ccc(COc2ccc(-c3noc(CSC4CC[NH2+]CC4)n3)cc2)cc1 ZINC000414618498 824017982 /nfs/dbraw/zinc/01/79/82/824017982.db2.gz JRZGGJROFMVKPX-UHFFFAOYSA-N 1 0 381.501 4.301 20 0 GIADRO O[C@@H](C[NH+]1CCC(OCc2ccccc2)CC1)c1cccc(Br)c1 ZINC000192527407 824020015 /nfs/dbraw/zinc/02/00/15/824020015.db2.gz FNXPUHBFRLYSPO-FQEVSTJZSA-N 1 0 390.321 4.164 20 0 GIADRO CC[C@H](C)c1ccc([C@H](NC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)C(C)C)cc1 ZINC000414658892 824021132 /nfs/dbraw/zinc/02/11/32/824021132.db2.gz KJFNIQSOLAKYGA-KSFYIVLOSA-N 1 0 393.531 4.255 20 0 GIADRO C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](CCC(=O)[O-])Cc2ccccc2)CC1 ZINC000414665220 824021625 /nfs/dbraw/zinc/02/16/25/824021625.db2.gz UHWLQTVOJKEPIC-RDPSFJRHSA-N 1 0 394.559 4.148 20 0 GIADRO O=C(Nc1cc(C(F)(F)F)ccc1Cl)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414676863 824022478 /nfs/dbraw/zinc/02/24/78/824022478.db2.gz UBYKLFMKRFSMJS-NEPJUHHUSA-N 1 0 375.822 4.212 20 0 GIADRO CC(C)[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2)c1ccc(C(C)(C)C)cc1 ZINC000414670425 824022699 /nfs/dbraw/zinc/02/26/99/824022699.db2.gz MJHDJXODNVKAQB-OAQYLSRUSA-N 1 0 393.531 4.039 20 0 GIADRO Cc1cccc(C(C)C)c1NC(=O)C[NH2+]C1(c2ccc(F)cc2)CCOCC1 ZINC000170971277 824023229 /nfs/dbraw/zinc/02/32/29/824023229.db2.gz GSBFHEZPFSGIBH-UHFFFAOYSA-N 1 0 384.495 4.492 20 0 GIADRO CC(C)(CCC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccccc1 ZINC000575897381 824023342 /nfs/dbraw/zinc/02/33/42/824023342.db2.gz PUZMGXWPVILGBP-QHCPKHFHSA-N 1 0 394.559 4.018 20 0 GIADRO O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414683188 824023726 /nfs/dbraw/zinc/02/37/26/824023726.db2.gz SVUJZEVSMBIKHC-NEPJUHHUSA-N 1 0 381.320 4.082 20 0 GIADRO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000414686725 824023747 /nfs/dbraw/zinc/02/37/47/824023747.db2.gz AYCXRMDBWASISW-FQEVSTJZSA-N 1 0 399.510 4.167 20 0 GIADRO Cc1[nH+]c2c(n1[C@@H]1CCN(C(=O)C3(Oc4ccc(Cl)cc4)CC3)C1)CCCC2 ZINC000575903579 824024262 /nfs/dbraw/zinc/02/42/62/824024262.db2.gz LETAKXPZZPYJHX-QGZVFWFLSA-N 1 0 399.922 4.109 20 0 GIADRO COc1ccc([C@@H](CNC(=O)C2(C(F)(F)F)CCCC2)[NH+]2CCCC2)cc1 ZINC000414701368 824024790 /nfs/dbraw/zinc/02/47/90/824024790.db2.gz GYDJQHLNRKVAJD-QGZVFWFLSA-N 1 0 384.442 4.071 20 0 GIADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)C1 ZINC000414712689 824025695 /nfs/dbraw/zinc/02/56/95/824025695.db2.gz NVXOYXVIVFYDSK-VHSXEESVSA-N 1 0 394.235 4.059 20 0 GIADRO CC(C)(CCC[NH3+])NC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000414718398 824026027 /nfs/dbraw/zinc/02/60/27/824026027.db2.gz VUORKRVJWRBGPG-UHFFFAOYSA-N 1 0 382.224 4.107 20 0 GIADRO COc1ccc([C@H]2CCCC[C@H]2[NH2+]C2CCN(C(=O)C(C)C)CC2)cc1F ZINC000575911024 824027517 /nfs/dbraw/zinc/02/75/17/824027517.db2.gz RXMXHECRSTZFOC-UYAOXDASSA-N 1 0 376.516 4.097 20 0 GIADRO Cc1ncc([C@H](C)[NH2+]C[C@@H]2CCN(c3ccc(Br)cc3)C2)s1 ZINC000127155785 824028263 /nfs/dbraw/zinc/02/82/63/824028263.db2.gz UTJDVXPJRRRTEA-JSGCOSHPSA-N 1 0 380.355 4.391 20 0 GIADRO CCOc1ccc(Oc2ccc(NC(=O)N3CCC[C@H]([C@@H](C)[NH3+])C3)cc2)cc1 ZINC000414725742 824028391 /nfs/dbraw/zinc/02/83/91/824028391.db2.gz MPUYSPWXPXYQJB-SJORKVTESA-N 1 0 383.492 4.469 20 0 GIADRO CCOc1ccc(Oc2ccccc2NC(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)cc1 ZINC000414726510 824028418 /nfs/dbraw/zinc/02/84/18/824028418.db2.gz OEEGEYKUOAWWPS-IAGOWNOFSA-N 1 0 383.492 4.326 20 0 GIADRO CC[NH2+]CC1CCN(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)CC1 ZINC000414728340 824029095 /nfs/dbraw/zinc/02/90/95/824029095.db2.gz OUGBPXDHSUVJJE-UHFFFAOYSA-N 1 0 398.473 4.159 20 0 GIADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 ZINC000414737025 824030779 /nfs/dbraw/zinc/03/07/79/824030779.db2.gz NRGRDRPXCJHZPN-QMTHXVAHSA-N 1 0 399.347 4.160 20 0 GIADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)C1 ZINC000414736687 824030796 /nfs/dbraw/zinc/03/07/96/824030796.db2.gz YKHTURURKSYSJM-WBVHZDCISA-N 1 0 380.517 4.136 20 0 GIADRO [NH3+]C[C@H]1CC[C@H](NC(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)C1 ZINC000414736686 824030841 /nfs/dbraw/zinc/03/08/41/824030841.db2.gz YKHTURURKSYSJM-RDJZCZTQSA-N 1 0 380.517 4.136 20 0 GIADRO CCOc1ccc(Oc2ccc(NC(=O)N3CC[C@@H](C)[C@@H](C[NH3+])C3)cc2)cc1 ZINC000414738692 824031108 /nfs/dbraw/zinc/03/11/08/824031108.db2.gz YYSOAMLYCNSLAX-SJORKVTESA-N 1 0 383.492 4.326 20 0 GIADRO C[NH2+]C[C@@H]1CCN(C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)C1 ZINC000414744945 824032384 /nfs/dbraw/zinc/03/23/84/824032384.db2.gz WVSHZDKWKMXSAY-NSHDSACASA-N 1 0 399.347 4.114 20 0 GIADRO CC1(NC(=O)Nc2ncc(Cc3ccc(C(F)(F)F)cc3)s2)CC[NH2+]CC1 ZINC000414746698 824032427 /nfs/dbraw/zinc/03/24/27/824032427.db2.gz ZLPVNVXDFAKIRY-UHFFFAOYSA-N 1 0 398.454 4.016 20 0 GIADRO C[C@H]1CCN(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)C[C@@H]1C[NH3+] ZINC000414750654 824033292 /nfs/dbraw/zinc/03/32/92/824033292.db2.gz MHELPEUIAPEGCN-HOCLYGCPSA-N 1 0 380.517 4.412 20 0 GIADRO CCCN(C(=O)N[C@@H](C)c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000171003286 824033426 /nfs/dbraw/zinc/03/34/26/824033426.db2.gz RPAMJLYCCCCDJW-PZJWPPBQSA-N 1 0 380.536 4.229 20 0 GIADRO CC(C)=CCOc1cccc(CC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)c1 ZINC000414768204 824034674 /nfs/dbraw/zinc/03/46/74/824034674.db2.gz KHWDGHZJBPZHDJ-UHFFFAOYSA-N 1 0 396.531 4.290 20 0 GIADRO CN(C(=O)Nc1cc(Cl)ccc1OCC(F)(F)F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414778160 824035306 /nfs/dbraw/zinc/03/53/06/824035306.db2.gz GLUHGWWYSWADDA-FUNVUKJBSA-N 1 0 391.821 4.028 20 0 GIADRO O=C(Nc1cccc(CN2CC[C@@H]3C[NH2+]C[C@@H]32)c1)c1ccc(Cl)cc1Cl ZINC000414781826 824035440 /nfs/dbraw/zinc/03/54/40/824035440.db2.gz DITKGKMQWPWKLN-KUHUBIRLSA-N 1 0 390.314 4.039 20 0 GIADRO CC[C@@H](CNC(=O)C1CC[NH+](C2CC2)CC1)Cc1cccc(Br)c1 ZINC000192575074 824036074 /nfs/dbraw/zinc/03/60/74/824036074.db2.gz GLADVJJXNAZWPY-OAHLLOKOSA-N 1 0 393.369 4.008 20 0 GIADRO C[NH2+]Cc1ccc(NC(=O)C(=O)N[C@H](CC2CCCCC2)c2ccccc2)cc1 ZINC000414785089 824036081 /nfs/dbraw/zinc/03/60/81/824036081.db2.gz IQLSVRKYGMCCFY-JOCHJYFZSA-N 1 0 393.531 4.172 20 0 GIADRO COCc1ccc(NC(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCCC2)cc1 ZINC000192574345 824036188 /nfs/dbraw/zinc/03/61/88/824036188.db2.gz YTFRLSQORZOYGO-JOCHJYFZSA-N 1 0 397.519 4.190 20 0 GIADRO C[C@@]1(C[NH3+])CCN(C(=O)Nc2ccc(OC(F)F)c(Cc3ccccc3)c2)C1 ZINC000414785761 824036255 /nfs/dbraw/zinc/03/62/55/824036255.db2.gz LTLJASYLEYMDOJ-NRFANRHFSA-N 1 0 389.446 4.081 20 0 GIADRO Cn1c2ccc(C(F)(F)F)cc2nc1C[NH2+]Cc1ccccc1Cn1ccnc1 ZINC000575955598 824036800 /nfs/dbraw/zinc/03/68/00/824036800.db2.gz QDXAOLPFUVBEKW-UHFFFAOYSA-N 1 0 399.420 4.127 20 0 GIADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1 ZINC000414794383 824037039 /nfs/dbraw/zinc/03/70/39/824037039.db2.gz SXVRUBXJKQZYGH-GDBMZVCRSA-N 1 0 389.446 4.080 20 0 GIADRO C[NH2+][C@H]1CCCN(C(=O)Nc2ccc(OC(F)F)c(Cc3ccccc3)c2)C1 ZINC000414797010 824037331 /nfs/dbraw/zinc/03/73/31/824037331.db2.gz VZYGOTLNOQZQMO-SFHVURJKSA-N 1 0 389.446 4.095 20 0 GIADRO COc1cc(CNCC[NH2+]C2CCCCCC2)ccc1OCc1ccncc1 ZINC000414799835 824037373 /nfs/dbraw/zinc/03/73/73/824037373.db2.gz DYULSKMLWUFOOF-UHFFFAOYSA-N 1 0 383.536 4.071 20 0 GIADRO CC1(NC(=O)Nc2ccc(OC(F)F)c(Cc3ccccc3)c2)CC[NH2+]CC1 ZINC000414797828 824037426 /nfs/dbraw/zinc/03/74/26/824037426.db2.gz WSOUSQYIRQGUHM-UHFFFAOYSA-N 1 0 389.446 4.142 20 0 GIADRO C[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000414809794 824038414 /nfs/dbraw/zinc/03/84/14/824038414.db2.gz GZSJWAIXTOQPHB-HXUWFJFHSA-N 1 0 399.922 4.046 20 0 GIADRO [NH3+]CCCN(Cc1ccccc1)C(=O)Nc1cccc(OCC(F)(F)F)c1 ZINC000414823642 824039527 /nfs/dbraw/zinc/03/95/27/824039527.db2.gz OZDHFGZDPKRVEM-UHFFFAOYSA-N 1 0 381.398 4.011 20 0 GIADRO O=C(Nc1ccc(OC(F)F)cc1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000192596425 824041380 /nfs/dbraw/zinc/04/13/80/824041380.db2.gz AAUOXUVJVDZFBH-UHFFFAOYSA-N 1 0 389.446 4.117 20 0 GIADRO C[C@H]([NH3+])c1ccc(CNC(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)cc1 ZINC000414855975 824042697 /nfs/dbraw/zinc/04/26/97/824042697.db2.gz XWHWYAUCTUSMBV-LBPRGKRZSA-N 1 0 380.414 4.113 20 0 GIADRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)Nc2cccc(N3CCCCC3=O)c2)cc1 ZINC000414857212 824043009 /nfs/dbraw/zinc/04/30/09/824043009.db2.gz PDQPEEKMKRWWRF-OAQYLSRUSA-N 1 0 394.519 4.148 20 0 GIADRO C[NH+](C)C1CCC(NC(=O)N[C@H]2CCOc3c(-c4ccccc4)cccc32)CC1 ZINC000575979024 824043439 /nfs/dbraw/zinc/04/34/39/824043439.db2.gz WBMJHGZSWOBDQS-AJTFCVKESA-N 1 0 393.531 4.349 20 0 GIADRO Cc1ccc(NC(=O)C2CC2)cc1NC(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000414865160 824043469 /nfs/dbraw/zinc/04/34/69/824043469.db2.gz CVSVIFGYBBGZBF-FQEVSTJZSA-N 1 0 394.519 4.288 20 0 GIADRO CC(C)C[C@H]([NH3+])c1noc(-c2nc(-c3cccs3)n(-c3ccccc3)n2)n1 ZINC000575987992 824044725 /nfs/dbraw/zinc/04/47/25/824044725.db2.gz WXKXUXKHTDDXFE-AWEZNQCLSA-N 1 0 380.477 4.092 20 0 GIADRO C[C@H](CC(=O)N1CCc2ccccc2[C@@H]1Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000575986247 824044767 /nfs/dbraw/zinc/04/47/67/824044767.db2.gz YHUZDJWNQAGYRL-CKUXNOBLSA-N 1 0 376.544 4.381 20 0 GIADRO COc1ccc(-c2nc(C[NH2+][C@@H]3[C@@H]4CCCO[C@H]4C3(C)C)cs2)c(OC)c1 ZINC000575988912 824044830 /nfs/dbraw/zinc/04/48/30/824044830.db2.gz RZQJFCBVFPLFII-QXAKKESOSA-N 1 0 388.533 4.121 20 0 GIADRO COc1ccc([C@H]2CC[NH2+]C[C@H]2NCc2ccc(-c3ccncc3)cc2F)cc1 ZINC000414888306 824045572 /nfs/dbraw/zinc/04/55/72/824045572.db2.gz REYPVZSOIMYMEM-ISKFKSNPSA-N 1 0 391.490 4.132 20 0 GIADRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000414895089 824047027 /nfs/dbraw/zinc/04/70/27/824047027.db2.gz VWZDZBRXULGSFL-DLBZAZTESA-N 1 0 395.507 4.230 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000171049620 824047292 /nfs/dbraw/zinc/04/72/92/824047292.db2.gz ZAIYYWDYJWBOOO-AEFFLSMTSA-N 1 0 384.549 4.059 20 0 GIADRO COc1cc(Br)c(C[NH2+][C@H]2CCCc3cc(N)ccc32)cc1OC ZINC000414905951 824048490 /nfs/dbraw/zinc/04/84/90/824048490.db2.gz AMPZBJARYRTRAW-KRWDZBQOSA-N 1 0 391.309 4.216 20 0 GIADRO C[C@H](NC1(C[NH2+]CCCc2ccc3c(c2)CCO3)CCOCC1)c1ccccc1 ZINC000192629774 824050270 /nfs/dbraw/zinc/05/02/70/824050270.db2.gz XCZFKTDBNGFOJP-FQEVSTJZSA-N 1 0 394.559 4.044 20 0 GIADRO CC[C@H](C)[NH2+][C@H](CNC(=O)Cc1csc(-c2cccc(C)c2)n1)c1ccco1 ZINC000576018111 824050541 /nfs/dbraw/zinc/05/05/41/824050541.db2.gz NGGVFQKBWRBEMM-QFBILLFUSA-N 1 0 397.544 4.500 20 0 GIADRO C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H]1CCCc2cc(N)ccc21 ZINC000414924261 824051057 /nfs/dbraw/zinc/05/10/57/824051057.db2.gz INJVCAXUYFSJSZ-OPAMFIHVSA-N 1 0 391.515 4.091 20 0 GIADRO COc1ccccc1NC(=O)C1CC[NH+](CCSCc2ccccc2)CC1 ZINC000192636082 824052238 /nfs/dbraw/zinc/05/22/38/824052238.db2.gz VDVZTYLZVOPAOM-UHFFFAOYSA-N 1 0 384.545 4.279 20 0 GIADRO Cc1ccc(NC(=O)C[C@@H](C)N[C@@H](C[NH3+])c2ccc3ccccc3c2)c(C)c1 ZINC000414941213 824052489 /nfs/dbraw/zinc/05/24/89/824052489.db2.gz LBSWTKZCOSSBOC-JPYJTQIMSA-N 1 0 375.516 4.463 20 0 GIADRO COc1ccc(NC(=S)C(C(=O)c2cccc(Cl)c2)[n+]2ccccc2)cn1 ZINC000171063934 824052926 /nfs/dbraw/zinc/05/29/26/824052926.db2.gz FYHUPVZZFBOBPO-UHFFFAOYSA-O 1 0 398.895 4.082 20 0 GIADRO COc1cc(SC)ccc1NC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000192644564 824054898 /nfs/dbraw/zinc/05/48/98/824054898.db2.gz AFZSJAUCDMABOG-UHFFFAOYSA-N 1 0 391.512 4.152 20 0 GIADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)Nc2ccc(Br)cc2C(F)(F)F)C1 ZINC000414972304 824055964 /nfs/dbraw/zinc/05/59/64/824055964.db2.gz JUJCROVDMAQQPH-MWLCHTKSSA-N 1 0 394.235 4.107 20 0 GIADRO [NH3+]CC[C@@H]1CCCN(C(=O)Nc2ccc(Br)cc2C(F)(F)F)C1 ZINC000414971758 824056036 /nfs/dbraw/zinc/05/60/36/824056036.db2.gz JCHJPQJROORMRV-JTQLQIEISA-N 1 0 394.235 4.061 20 0 GIADRO CC[N@@H+]1CCC[C@@H](CN(C)[C@H](C)c2ncc(C(C)(C)C)o2)[C@@H]1c1cnn(C)c1 ZINC000328637782 206236217 /nfs/dbraw/zinc/23/62/17/206236217.db2.gz OURGVUMSSGYMDD-FUHIMQAGSA-N 1 0 387.572 4.172 20 0 GIADRO C[C@@H](Cc1nc(-c2ccccc2)no1)[NH2+][C@@H](C)c1ncc(Br)s1 ZINC000359865900 206266220 /nfs/dbraw/zinc/26/62/20/206266220.db2.gz DYUJYUZGMVQPJU-QWRGUYRKSA-N 1 0 393.310 4.237 20 0 GIADRO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)CCc2c[nH]c3ccccc23)CC1 ZINC000016002773 207070405 /nfs/dbraw/zinc/07/04/05/207070405.db2.gz LOSTXFWCJGCWND-UHFFFAOYSA-N 1 0 396.922 4.144 20 0 GIADRO O=C(CC[NH+]1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(Cl)cc1F ZINC000022198045 207248385 /nfs/dbraw/zinc/24/83/85/207248385.db2.gz LOOHADZVKGYYIJ-UHFFFAOYSA-N 1 0 396.293 4.283 20 0 GIADRO O=C(CC[NH+]1CCN(c2ccccc2)CC1)Nc1c(Cl)cccc1Cl ZINC000022197609 207248824 /nfs/dbraw/zinc/24/88/24/207248824.db2.gz QLDRWFAPACDPII-UHFFFAOYSA-N 1 0 378.303 4.144 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccc(Br)o1 ZINC000021971770 207243464 /nfs/dbraw/zinc/24/34/64/207243464.db2.gz NVLUMWBWLNVXCJ-UHFFFAOYSA-N 1 0 397.700 4.090 20 0 GIADRO F[C@@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CCCCC12CC[NH2+]CC2 ZINC001164422211 718911925 /nfs/dbraw/zinc/91/19/25/718911925.db2.gz XFFYLRWGQJSDDC-LJQANCHMSA-N 1 0 390.890 4.037 20 0 GIADRO Fc1c(Cl)nccc1C(F)(F)N1CC[C@@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164626941 719043788 /nfs/dbraw/zinc/04/37/88/719043788.db2.gz SIMJIXQMBCJHAC-MAUKXSAKSA-N 1 0 381.829 4.003 20 0 GIADRO Fc1cnc(Cl)cc1C(F)(F)N1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164627768 719045830 /nfs/dbraw/zinc/04/58/30/719045830.db2.gz WEGUXVAXADNWRD-CRAIPNDOSA-N 1 0 381.829 4.003 20 0 GIADRO c1ccc(C[N@@H+]2C[C@@H]3CCCN(c4cc(Oc5ccccc5)ncn4)[C@@H]3C2)cc1 ZINC001164621864 719064409 /nfs/dbraw/zinc/06/44/09/719064409.db2.gz IAFZSVQYXOUZQC-RBBKRZOGSA-N 1 0 386.499 4.370 20 0 GIADRO Clc1cnc2nc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)ccc2c1 ZINC001164620410 719074935 /nfs/dbraw/zinc/07/49/35/719074935.db2.gz DTSRKVOFHKLQIT-ICSRJNTNSA-N 1 0 378.907 4.384 20 0 GIADRO CCOC(=O)c1nc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)ccc1Cl ZINC001164622441 719090784 /nfs/dbraw/zinc/09/07/84/719090784.db2.gz BZSWFRFGLJOQID-HKUYNNGSSA-N 1 0 399.922 4.013 20 0 GIADRO Cc1nc(-c2ccccn2)nc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1C ZINC001164623544 719104497 /nfs/dbraw/zinc/10/44/97/719104497.db2.gz DLBDXODRUKZDQD-GMAHTHKFSA-N 1 0 399.542 4.256 20 0 GIADRO c1ccc(C[N@@H+]2C[C@@H]3CCCN(c4nccnc4Oc4ccccc4)[C@@H]3C2)cc1 ZINC001164621813 719105818 /nfs/dbraw/zinc/10/58/18/719105818.db2.gz AXQWJUMABOLIMD-RBBKRZOGSA-N 1 0 386.499 4.370 20 0 GIADRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1nc(-c2cccnc2)nc2sc3c(c21)CCCC3 ZINC001164632268 719233979 /nfs/dbraw/zinc/23/39/79/719233979.db2.gz ARTYKPRPSJRHBV-LSDHHAIUSA-N 1 0 393.560 4.161 20 0 GIADRO COCc1nc2scc(-c3ccccc3)c2c(N2C[C@@H](C)[N@H+](C)C[C@H]2C)n1 ZINC000508374629 719245816 /nfs/dbraw/zinc/24/58/16/719245816.db2.gz FHRIQHQHHMGCGT-HUUCEWRRSA-N 1 0 382.533 4.034 20 0 GIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(C)nc4ccccc42)CC3)cs1 ZINC001164694339 719805745 /nfs/dbraw/zinc/80/57/45/719805745.db2.gz XIIMGBBVCBFSGK-UHFFFAOYSA-N 1 0 393.560 4.338 20 0 GIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2c(C)nc(C)nc2Cl)CC3)cs1 ZINC001164693843 719807202 /nfs/dbraw/zinc/80/72/02/719807202.db2.gz ROICCARZMISILJ-UHFFFAOYSA-N 1 0 391.972 4.147 20 0 GIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ccc4ncccc4n2)CC3)cs1 ZINC001164693766 719807855 /nfs/dbraw/zinc/80/78/55/719807855.db2.gz RCDBZTXZUMQESJ-UHFFFAOYSA-N 1 0 379.533 4.030 20 0 GIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ncnc4cccc(F)c42)CC3)cs1 ZINC001164694531 719809767 /nfs/dbraw/zinc/80/97/67/719809767.db2.gz ZSIGGHVGMXHXJG-UHFFFAOYSA-N 1 0 397.523 4.169 20 0 GIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc3ccccc3cc1Cl)C2 ZINC001164814299 720099692 /nfs/dbraw/zinc/09/96/92/720099692.db2.gz WMGPJXUIAZOIII-AVRDEDQJSA-N 1 0 385.939 4.073 20 0 GIADRO Fc1ccc2nc(Cl)cc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c2c1 ZINC001164729772 720358367 /nfs/dbraw/zinc/35/83/67/720358367.db2.gz XYGHZFOFSAEMDK-RTBURBONSA-N 1 0 382.870 4.276 20 0 GIADRO Cc1cc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)nc2cc(Cl)ccc12 ZINC001164728933 720407148 /nfs/dbraw/zinc/40/71/48/720407148.db2.gz UIMNXLYIFLXLLQ-RTWAWAEBSA-N 1 0 378.907 4.445 20 0 GIADRO Cc1cc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)nc2cc(Cl)ccc12 ZINC001164728935 720408093 /nfs/dbraw/zinc/40/80/93/720408093.db2.gz UIMNXLYIFLXLLQ-SFTDATJTSA-N 1 0 378.907 4.445 20 0 GIADRO COc1ccc2c(cc(Cl)nc2N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c1 ZINC001164726335 720411222 /nfs/dbraw/zinc/41/12/22/720411222.db2.gz BMNILVUSROPDFJ-VQTJNVASSA-N 1 0 394.906 4.145 20 0 GIADRO Cc1c(Cl)ccc2ccc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)nc21 ZINC001164735416 720420752 /nfs/dbraw/zinc/42/07/52/720420752.db2.gz XGJVOCJJYQYCDM-WOJBJXKFSA-N 1 0 378.907 4.445 20 0 GIADRO Cc1nc(C2CCCCC2)cc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164734748 720425624 /nfs/dbraw/zinc/42/56/24/720425624.db2.gz UAMHRIRHQXMHDH-YADHBBJMSA-N 1 0 377.536 4.081 20 0 GIADRO Clc1cccc(-c2cc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)ncn2)c1 ZINC001164733923 720450084 /nfs/dbraw/zinc/45/00/84/720450084.db2.gz QTDGJKCRYKUUIC-LEWJYISDSA-N 1 0 391.906 4.045 20 0 GIADRO Cc1cc(Cl)ncc1C(F)(F)N([C@@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001164735565 720544323 /nfs/dbraw/zinc/54/43/23/720544323.db2.gz POMVGXYMAFUFNV-AWEZNQCLSA-N 1 0 387.902 4.104 20 0 GIADRO Cc1ccc2c(c1)nc(Cl)cc2N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164727957 720570749 /nfs/dbraw/zinc/57/07/49/720570749.db2.gz GSSRCRIEOXSCOQ-UHFFFAOYSA-N 1 0 395.938 4.052 20 0 GIADRO Cc1cc2ccccc2c(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164838601 720574031 /nfs/dbraw/zinc/57/40/31/720574031.db2.gz OSAYRQLUZPEILX-MQSCRBSSSA-N 1 0 389.547 4.118 20 0 GIADRO Cc1ccnc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1Cl ZINC001164843841 720686173 /nfs/dbraw/zinc/68/61/73/720686173.db2.gz RJBKMVMQXOEVJP-IBGZPJMESA-N 1 0 385.939 4.303 20 0 GIADRO CSc1cnc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c(C)c1 ZINC001164841791 720708700 /nfs/dbraw/zinc/70/87/00/720708700.db2.gz XAKZGMMIWPEHSQ-HXUWFJFHSA-N 1 0 397.588 4.372 20 0 GIADRO Cc1ccc(C[NH+]2CCC3(CCN(c4cc5c(nn4)CCC5)CC3)CC2)cc1 ZINC001164758906 721046459 /nfs/dbraw/zinc/04/64/59/721046459.db2.gz DTIMQNSHFXQBIK-UHFFFAOYSA-N 1 0 376.548 4.156 20 0 GIADRO FC(F)(c1ccc2ccnc(Cl)c2c1)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001164774118 721286327 /nfs/dbraw/zinc/28/63/27/721286327.db2.gz XBVDJTNXNBLKMC-UHFFFAOYSA-N 1 0 377.866 4.355 20 0 GIADRO Cc1ccc2c(c1)nc(Cl)cc2N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164786234 721415095 /nfs/dbraw/zinc/41/50/95/721415095.db2.gz OHAWGQGJBPBZLF-GJZGRUSLSA-N 1 0 384.936 4.221 20 0 GIADRO Cc1cc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)nc(C(C)C)n1 ZINC001164795440 721500111 /nfs/dbraw/zinc/50/01/11/721500111.db2.gz HBCKDAWRVQKNRN-UHFFFAOYSA-N 1 0 379.552 4.184 20 0 GIADRO Cc1cc2cccnc2c(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164796718 721502257 /nfs/dbraw/zinc/50/22/57/721502257.db2.gz WHFZNBPFJOYESJ-UHFFFAOYSA-N 1 0 387.531 4.214 20 0 GIADRO Cc1ccc2ccnc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c2c1 ZINC001164903460 721532299 /nfs/dbraw/zinc/53/22/99/721532299.db2.gz CTWNXVDHVVCQGA-CTNGQTDRSA-N 1 0 377.463 4.024 20 0 GIADRO Cc1cccc2c1ccnc2N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164906943 721534850 /nfs/dbraw/zinc/53/48/50/721534850.db2.gz LZFYHBDCIOXAFY-QUCCMNQESA-N 1 0 377.463 4.024 20 0 GIADRO Fc1cnc(Cl)cc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164907516 721701086 /nfs/dbraw/zinc/70/10/86/721701086.db2.gz VCGGLKPQQAYHLP-SFHVURJKSA-N 1 0 396.844 4.007 20 0 GIADRO FC1(F)CCN(c2cc(C3CC3)ccn2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164907836 721710458 /nfs/dbraw/zinc/71/04/58/721710458.db2.gz UMKREVWGJQVRIY-OAQYLSRUSA-N 1 0 384.474 4.092 20 0 GIADRO FC1(F)CCN(c2cccc(C3CC3)n2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164913466 721735888 /nfs/dbraw/zinc/73/58/88/721735888.db2.gz VXSKUKHTKWVWOT-NRFANRHFSA-N 1 0 384.474 4.092 20 0 GIADRO Cc1cc(Cl)c(C)nc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165024897 721817361 /nfs/dbraw/zinc/81/73/61/721817361.db2.gz KZRCTXBZRQBICM-HFSMHLIXSA-N 1 0 384.955 4.484 20 0 GIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cnc(-c4ccccc4)cn3)C[C@H]21 ZINC001165024640 721823374 /nfs/dbraw/zinc/82/33/74/721823374.db2.gz KVEWGNQBAPFHDQ-BGWNEDDSSA-N 1 0 399.542 4.276 20 0 GIADRO Cc1cc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc(C(C)C)n1 ZINC001165021537 721823468 /nfs/dbraw/zinc/82/34/68/721823468.db2.gz GAOMDCVNAMOKKL-CEWLAPEOSA-N 1 0 379.552 4.040 20 0 GIADRO CC(C)Sc1ccc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nn1 ZINC001165026209 721827085 /nfs/dbraw/zinc/82/70/85/721827085.db2.gz OHLIEEBYVZPPBD-SXLOBPIMSA-N 1 0 397.592 4.109 20 0 GIADRO CSCc1ccnc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165027008 721828986 /nfs/dbraw/zinc/82/89/86/721828986.db2.gz QSTZRGFWYFCULN-JBACZVJFSA-N 1 0 382.577 4.077 20 0 GIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc(C)c(Cl)cn2)CC1 ZINC001165023341 721839477 /nfs/dbraw/zinc/83/94/77/721839477.db2.gz VAGHLMFIFUDRHF-UHFFFAOYSA-N 1 0 389.927 4.161 20 0 GIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc3ccsc3cn2)CC1 ZINC001165020537 721842158 /nfs/dbraw/zinc/84/21/58/721842158.db2.gz FPBTVXSWWHAUNF-UHFFFAOYSA-N 1 0 397.544 4.414 20 0 GIADRO Fc1cccc2c(Cl)nc(C(F)(F)N3CC[NH+](C4CCCC4)CC3)nc12 ZINC001165030705 721854354 /nfs/dbraw/zinc/85/43/54/721854354.db2.gz ZGCQBVHCXHPZOG-UHFFFAOYSA-N 1 0 384.833 4.032 20 0 GIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nccc(C)c4Cl)CC3)C2)cc1 ZINC001164941007 721925210 /nfs/dbraw/zinc/92/52/10/721925210.db2.gz YQLFHFKILVYYKZ-UHFFFAOYSA-N 1 0 385.939 4.223 20 0 GIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccc5occc5n4)CC3)C2)cc1 ZINC001164938624 721927019 /nfs/dbraw/zinc/92/70/19/721927019.db2.gz BFFZDURQDYZPKF-UHFFFAOYSA-N 1 0 377.488 4.008 20 0 GIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(C)nc(C(C)C)n4)CC3)C2)cc1 ZINC001164938735 721930295 /nfs/dbraw/zinc/93/02/95/721930295.db2.gz FXBXLAIKLKSMRY-UHFFFAOYSA-N 1 0 394.563 4.088 20 0 GIADRO CCOC(=O)c1cnc(Cl)c(C)c1N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001165048884 721971957 /nfs/dbraw/zinc/97/19/57/721971957.db2.gz PCSMQLQKOYVVTM-INIZCTEOSA-N 1 0 379.932 4.065 20 0 GIADRO COc1cccc(Oc2cncc(N3CCCC[C@H]3CC[NH+]3CCCC3)n2)c1 ZINC001165049847 721973560 /nfs/dbraw/zinc/97/35/60/721973560.db2.gz SEWQGMSOKMXNAC-SFHVURJKSA-N 1 0 382.508 4.122 20 0 GIADRO c1ccc2nc(N3CCCC[C@@H]3CC[NH+]3CCCC3)c(N3CCCC3)nc2c1 ZINC001165046623 721974936 /nfs/dbraw/zinc/97/49/36/721974936.db2.gz BJGNYHXMJUOIFG-LJQANCHMSA-N 1 0 379.552 4.075 20 0 GIADRO COc1cc(Cl)cnc1N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164994537 722193752 /nfs/dbraw/zinc/19/37/52/722193752.db2.gz NUHSYAQMGHQPBO-FQEVSTJZSA-N 1 0 375.875 4.128 20 0 GIADRO C[N@H+](Cc1ccc(N2CC[C@H](OCC3CC3)[C@@H]2Cc2ccccc2)nc1)C1CC1 ZINC001165004569 722271978 /nfs/dbraw/zinc/27/19/78/722271978.db2.gz BPAUMKZUFLRLLV-ZEQRLZLVSA-N 1 0 391.559 4.292 20 0 GIADRO CSC1(CNC(=O)c2cc(C3CC3)nc3c(C)cc(C)cc23)CC[NH+](C)CC1 ZINC000570491365 823045554 /nfs/dbraw/zinc/04/55/54/823045554.db2.gz PXWXZWGBJBOZCX-UHFFFAOYSA-N 1 0 397.588 4.286 20 0 GIADRO C[C@@H]([NH2+]CCc1nc2c(s1)CCCC2)c1ncc(Br)cc1F ZINC000187339835 823045782 /nfs/dbraw/zinc/04/57/82/823045782.db2.gz SRAMHNXDJXWRKQ-SNVBAGLBSA-N 1 0 384.318 4.212 20 0 GIADRO CC(C)OC(=O)c1ccc(C[NH2+][C@H](C)C2CCN(CC(F)(F)F)CC2)cc1 ZINC000570498947 823046873 /nfs/dbraw/zinc/04/68/73/823046873.db2.gz DWVSIFZERXYATM-OAHLLOKOSA-N 1 0 386.458 4.004 20 0 GIADRO Cc1[nH]c(=O)c(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc1-c1ccccc1 ZINC000570501745 823047265 /nfs/dbraw/zinc/04/72/65/823047265.db2.gz CCCFAZMVVISFLY-MRXNPFEDSA-N 1 0 381.520 4.003 20 0 GIADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Nc1ccc2oc(C(F)(F)F)nc2c1 ZINC000175818750 823047537 /nfs/dbraw/zinc/04/75/37/823047537.db2.gz HDVXHWWCUFBYQD-CYBMUJFWSA-N 1 0 384.402 4.185 20 0 GIADRO O=C(c1cccc(C[N@H+]2CCC[C@H]2C[C@H](O)c2cccs2)c1)N1CCCCC1 ZINC000175821094 823047880 /nfs/dbraw/zinc/04/78/80/823047880.db2.gz JTGPNODRGNQPIJ-SFTDATJTSA-N 1 0 398.572 4.462 20 0 GIADRO CCOC(=O)c1cnn(C2CC[NH+]([C@@H](C)c3ccc(OC)c(Cl)c3)CC2)c1 ZINC000570522336 823049350 /nfs/dbraw/zinc/04/93/50/823049350.db2.gz AHQKIAJBFJJQGT-AWEZNQCLSA-N 1 0 391.899 4.120 20 0 GIADRO Cc1coc(-c2ccc(C)c(NC(=O)[C@@H]3CC[N@H+](Cc4ccccc4)C3)c2)n1 ZINC000570527705 823050069 /nfs/dbraw/zinc/05/00/69/823050069.db2.gz WIKQXPQROAFBQL-HXUWFJFHSA-N 1 0 375.472 4.419 20 0 GIADRO O=C(NC1CC[NH+](C2CCCC2)CC1)NC1(Cc2cccc(Cl)c2)CC1 ZINC000458517739 823050172 /nfs/dbraw/zinc/05/01/72/823050172.db2.gz VAPWNMRVDDWBLO-UHFFFAOYSA-N 1 0 375.944 4.121 20 0 GIADRO Cc1ccc(Oc2ccc(NC(=O)[C@H]([NH2+]C3CCOCC3)C(C)C)cn2)cc1C ZINC000175838981 823052275 /nfs/dbraw/zinc/05/22/75/823052275.db2.gz PYVXQHXXKPGKPS-JOCHJYFZSA-N 1 0 397.519 4.222 20 0 GIADRO CN1CC[C@H]([NH2+]C[C@H](O)Cc2ccc3ccccc3c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000570554734 823053543 /nfs/dbraw/zinc/05/35/43/823053543.db2.gz HEMYXRLHMVEQSF-QDSKXPNFSA-N 1 0 396.481 4.056 20 0 GIADRO CN1CC[C@H]([NH2+]C[C@@H](O)Cc2ccc3ccccc3c2)[C@H]1c1ccc(F)c(F)c1 ZINC000570554732 823053691 /nfs/dbraw/zinc/05/36/91/823053691.db2.gz HEMYXRLHMVEQSF-NKKJXINNSA-N 1 0 396.481 4.056 20 0 GIADRO CC(C)(C)[C@H](NC(=O)NC1CC[NH+](C2CCC2)CC1)c1ccc(F)cc1F ZINC000458555056 823055216 /nfs/dbraw/zinc/05/52/16/823055216.db2.gz LTBKZHFFDUURPO-LJQANCHMSA-N 1 0 379.495 4.368 20 0 GIADRO Cn1ncc2ccc(C[NH2+]Cc3cc(Cl)ccc3OCc3cccnc3)cc21 ZINC000570562791 823055280 /nfs/dbraw/zinc/05/52/80/823055280.db2.gz IZNVVWIJBPPPCF-UHFFFAOYSA-N 1 0 392.890 4.491 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)N1CC[C@H]2OCCC[C@@H]2C1)C1CCCCC1 ZINC000120741574 823055492 /nfs/dbraw/zinc/05/54/92/823055492.db2.gz KPMQOESEZURVTC-DENIHFKCSA-N 1 0 385.552 4.484 20 0 GIADRO CC(C)[C@H](Oc1ccccc1Br)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000570563665 823055607 /nfs/dbraw/zinc/05/56/07/823055607.db2.gz PLHPYFZAYBCXKY-SFHVURJKSA-N 1 0 389.293 4.094 20 0 GIADRO Cc1ccc2c([nH+]cc(C(=O)[O-])c2N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1C ZINC000570573023 823056167 /nfs/dbraw/zinc/05/61/67/823056167.db2.gz JPAUSCJSZRAFLB-QGZVFWFLSA-N 1 0 389.499 4.261 20 0 GIADRO CSCc1cccc(CNC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000187404157 823057002 /nfs/dbraw/zinc/05/70/02/823057002.db2.gz RIOFSUMUEXVBOZ-UHFFFAOYSA-N 1 0 397.588 4.356 20 0 GIADRO C[C@H]1CCc2ccccc2[C@@H]1NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458569188 823057363 /nfs/dbraw/zinc/05/73/63/823057363.db2.gz BOKVHDUEPKNODZ-HNAYVOBHSA-N 1 0 397.485 4.368 20 0 GIADRO COc1ccccc1OC[C@H](C)C[NH2+][C@H](C)c1ncc(Br)cc1F ZINC000187409333 823057779 /nfs/dbraw/zinc/05/77/79/823057779.db2.gz QXSQVMBNGABUHW-CHWSQXEVSA-N 1 0 397.288 4.358 20 0 GIADRO Cc1ccc(-c2ccc(C(=O)N3CC[NH+](C4CCOCC4)CC3)c(F)c2)cc1C ZINC000175864069 823058345 /nfs/dbraw/zinc/05/83/45/823058345.db2.gz GQKBJNFGYLPHIJ-UHFFFAOYSA-N 1 0 396.506 4.046 20 0 GIADRO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000175866230 823059186 /nfs/dbraw/zinc/05/91/86/823059186.db2.gz DVKAFWSSVAEPNK-DXMSMQRWSA-N 1 0 388.360 4.439 20 0 GIADRO CN(C(=O)N[C@H]1CC(C)(C)c2ccccc21)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458581976 823059425 /nfs/dbraw/zinc/05/94/25/823059425.db2.gz YXEZLICIUWLOHL-SFHVURJKSA-N 1 0 397.485 4.467 20 0 GIADRO COc1cc(NC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(Cl)c(OC)c1 ZINC000570617641 823063066 /nfs/dbraw/zinc/06/30/66/823063066.db2.gz BVTRJZSQGSCLKF-KBPBESRZSA-N 1 0 395.931 4.132 20 0 GIADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCc3cccc(Cl)c3C2)CC1 ZINC000458586170 823059766 /nfs/dbraw/zinc/05/97/66/823059766.db2.gz VNBNZDHJOGAARU-INIZCTEOSA-N 1 0 398.938 4.028 20 0 GIADRO C[C@H](NC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2)[C@@H](C)c1ccccc1C(F)(F)F ZINC000458610045 823063307 /nfs/dbraw/zinc/06/33/07/823063307.db2.gz LWXWLICNZMOVFC-GQIGUUNPSA-N 1 0 397.485 4.325 20 0 GIADRO Cc1nc(COc2ccc(C[NH2+]C[C@@H]3CCN(CC(F)(F)F)C3)cc2)cs1 ZINC000120777012 823061884 /nfs/dbraw/zinc/06/18/84/823061884.db2.gz IDAGISSEGCLGDN-INIZCTEOSA-N 1 0 399.482 4.004 20 0 GIADRO Cc1cnc([C@H](NC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)C2CC2)s1 ZINC000175886342 823063694 /nfs/dbraw/zinc/06/36/94/823063694.db2.gz FBGNJOMDZGXUCH-HXUWFJFHSA-N 1 0 398.576 4.209 20 0 GIADRO CC1CC[NH+](CCc2cccc(NC[C@H](O)COCc3cccs3)c2)CC1 ZINC000570626934 823063904 /nfs/dbraw/zinc/06/39/04/823063904.db2.gz ODNCIYZILITZIA-NRFANRHFSA-N 1 0 388.577 4.012 20 0 GIADRO CN(C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000458618491 823064563 /nfs/dbraw/zinc/06/45/63/823064563.db2.gz UTTSWZWYLKUBRB-PKTZIBPZSA-N 1 0 392.547 4.276 20 0 GIADRO CC[C@H](C)Oc1ccc(C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)cc1 ZINC000175892773 823065183 /nfs/dbraw/zinc/06/51/83/823065183.db2.gz DBRPGWNRAOBOAD-INIZCTEOSA-N 1 0 383.492 4.006 20 0 GIADRO CC(C)OC1CCC(NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000120793421 823065340 /nfs/dbraw/zinc/06/53/40/823065340.db2.gz AWAWYWPVVDOEAA-UHFFFAOYSA-N 1 0 387.568 4.208 20 0 GIADRO CC(C)CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)c1ccccc1 ZINC000570645020 823066062 /nfs/dbraw/zinc/06/60/62/823066062.db2.gz CLPODVRHEAEQTD-GLCCWIKHSA-N 1 0 385.596 4.227 20 0 GIADRO COc1ccc(C[C@H](C)[NH2+]C[C@H](c2c(F)cccc2F)N(C)C)c(C)c1OC ZINC000570645105 823066220 /nfs/dbraw/zinc/06/62/20/823066220.db2.gz CMKJPYXIBQSERK-IFXJQAMLSA-N 1 0 392.490 4.114 20 0 GIADRO C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CC[C@@H](c2c(F)cccc2F)C1 ZINC000187454633 823066748 /nfs/dbraw/zinc/06/67/48/823066748.db2.gz BKVZFMGLXIDPCT-CQSZACIVSA-N 1 0 384.426 4.402 20 0 GIADRO Cc1noc(C)c1CSc1ccccc1C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000055932414 823068378 /nfs/dbraw/zinc/06/83/78/823068378.db2.gz CPATWOBCQCCLEO-HNNXBMFYSA-N 1 0 387.549 4.188 20 0 GIADRO CC(C)[C@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(F)cc1F ZINC000120812167 823068963 /nfs/dbraw/zinc/06/89/63/823068963.db2.gz LSUHTWVAQJCPTH-XOBRGWDASA-N 1 0 396.503 4.263 20 0 GIADRO C[C@@H](N[C@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(N2CCOC2=O)cc1 ZINC000120810764 823069033 /nfs/dbraw/zinc/06/90/33/823069033.db2.gz OHTBMYZDKOHTDF-XMSQKQJNSA-N 1 0 379.504 4.131 20 0 GIADRO CCOc1ccccc1[C@H](CC)NC(=O)C[NH2+][C@H](c1ncccc1C)C(C)C ZINC000120814366 823069408 /nfs/dbraw/zinc/06/94/08/823069408.db2.gz NQZYQYKIVGUSAG-UGKGYDQZSA-N 1 0 383.536 4.343 20 0 GIADRO O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@H]1C1CCC1 ZINC000175908141 823069706 /nfs/dbraw/zinc/06/97/06/823069706.db2.gz RSFMIMMCARDMQV-QHCPKHFHSA-N 1 0 399.579 4.032 20 0 GIADRO CN(C(=O)NCCC1=CCCCCC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458656301 823070371 /nfs/dbraw/zinc/07/03/71/823070371.db2.gz UBFPXAHQVYKZRY-UHFFFAOYSA-N 1 0 375.479 4.325 20 0 GIADRO CCCC[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(=O)Nc1cc(C)on1 ZINC000175911002 823070508 /nfs/dbraw/zinc/07/05/08/823070508.db2.gz IGFUGXLIHPXADS-UIFIKXQLSA-N 1 0 398.551 4.123 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)NC[C@H]1CCCC1(F)F)c1cccc(C(F)(F)F)c1 ZINC000458656913 823070546 /nfs/dbraw/zinc/07/05/46/823070546.db2.gz UHFPARDWUVKWRW-HUUCEWRRSA-N 1 0 393.400 4.043 20 0 GIADRO C[C@H](NC(=O)NC1CCC(C(F)F)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000458669619 823072414 /nfs/dbraw/zinc/07/24/14/823072414.db2.gz IAHMCJHACBQHEF-WEOZKBJRSA-N 1 0 379.495 4.020 20 0 GIADRO O=C(c1ccc(COc2ccc3ccccc3c2)o1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000570675284 823071038 /nfs/dbraw/zinc/07/10/38/823071038.db2.gz DDUFHPQYCMDGMM-DEOSSOPVSA-N 1 0 390.483 4.228 20 0 GIADRO C[C@H](CCCc1cccnc1)NC(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000458661352 823071056 /nfs/dbraw/zinc/07/10/56/823071056.db2.gz DYAMASVTOYCKRD-ZRCGQRJVSA-N 1 0 394.563 4.003 20 0 GIADRO Cc1nc2cc(Cl)c(NC(=O)N[C@@H]3C[NH2+]C[C@H]3c3ccccc3)cc2s1 ZINC000570690887 823072327 /nfs/dbraw/zinc/07/23/27/823072327.db2.gz ZRMKCDUMBNEQAV-SUMWQHHRSA-N 1 0 386.908 4.135 20 0 GIADRO O=C(Nc1cc(Cl)ccc1OC1CCCC1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000570690360 823072387 /nfs/dbraw/zinc/07/23/87/823072387.db2.gz IOQIYUMXNRTVMH-HXUWFJFHSA-N 1 0 377.916 4.269 20 0 GIADRO CC1([C@H]2CCC[N@H+](Cc3nc(-c4ccccc4Cl)cs3)C2)OCCO1 ZINC000187482400 823072552 /nfs/dbraw/zinc/07/25/52/823072552.db2.gz TWXFJEYWDUDAGS-AWEZNQCLSA-N 1 0 378.925 4.439 20 0 GIADRO CC1([C@@H]2CCC[N@H+](Cc3nc(-c4ccccc4Cl)cs3)C2)OCCO1 ZINC000187482379 823072671 /nfs/dbraw/zinc/07/26/71/823072671.db2.gz TWXFJEYWDUDAGS-CQSZACIVSA-N 1 0 378.925 4.439 20 0 GIADRO Cc1cnc([C@H](NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C2CC2)s1 ZINC000175920730 823072806 /nfs/dbraw/zinc/07/28/06/823072806.db2.gz CKEIVYHPGDZHOR-HXUWFJFHSA-N 1 0 398.576 4.114 20 0 GIADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Nc1ccc2ncsc2c1 ZINC000175921290 823073022 /nfs/dbraw/zinc/07/30/22/823073022.db2.gz USSDJXPMGRRJTD-UHFFFAOYSA-N 1 0 388.459 4.424 20 0 GIADRO C[C@@H](NC(=O)N1Cc2ccc(Cl)cc2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000458682097 823073558 /nfs/dbraw/zinc/07/35/58/823073558.db2.gz OGEIZDCSBGZLSQ-SJLPKXTDSA-N 1 0 383.923 4.276 20 0 GIADRO COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H]2CN(Cc3ccccc3)CCCO2)cc1 ZINC000570704220 823073766 /nfs/dbraw/zinc/07/37/66/823073766.db2.gz NRNXQOSPJTUKSZ-JXALWOEJSA-N 1 0 382.548 4.068 20 0 GIADRO COc1ccc(C(=O)CCC(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cc1F ZINC000175924019 823074036 /nfs/dbraw/zinc/07/40/36/823074036.db2.gz UEMGPEBWFMIRQF-UHFFFAOYSA-N 1 0 384.451 4.032 20 0 GIADRO COc1ccc(C[C@H](C)[NH2+]Cc2nc3cccc(Cl)c3n2C)c(C)c1OC ZINC000570705745 823074263 /nfs/dbraw/zinc/07/42/63/823074263.db2.gz HPZLHKSFCWRYLU-ZDUSSCGKSA-N 1 0 387.911 4.273 20 0 GIADRO C[C@@H](Nc1ccccc1C[N@H+](C)C1CCCCC1)C1CCS(=O)(=O)CC1 ZINC000187496027 823074898 /nfs/dbraw/zinc/07/48/98/823074898.db2.gz YSYRWVRABGGAEO-QGZVFWFLSA-N 1 0 378.582 4.076 20 0 GIADRO Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000458708098 823077062 /nfs/dbraw/zinc/07/70/62/823077062.db2.gz PWWSFQRRMXHUOD-MJGOQNOKSA-N 1 0 383.458 4.116 20 0 GIADRO Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000458708099 823077082 /nfs/dbraw/zinc/07/70/82/823077082.db2.gz PWWSFQRRMXHUOD-PKOBYXMFSA-N 1 0 383.458 4.116 20 0 GIADRO Cc1c([C@@H](C)N[C@H](C[NH+]2CCCC2)c2ccccc2)nnn1-c1ccc(F)cc1 ZINC000120844556 823075363 /nfs/dbraw/zinc/07/53/63/823075363.db2.gz ROCCMCDOVLLMNV-VGOFRKELSA-N 1 0 393.510 4.203 20 0 GIADRO CC(C)[C@H](CC(F)(F)F)NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000458698668 823075719 /nfs/dbraw/zinc/07/57/19/823075719.db2.gz WJIQAZVTZTUBLN-WMZOPIPTSA-N 1 0 385.474 4.127 20 0 GIADRO COc1ccc2oc([C@H](C)NCc3ccncc3OCCC[NH+](C)C)c(C)c2c1 ZINC000570719827 823075767 /nfs/dbraw/zinc/07/57/67/823075767.db2.gz SSDVVSCACSLULU-KRWDZBQOSA-N 1 0 397.519 4.326 20 0 GIADRO COc1ccc2c(c1)oc(C(=O)N[C@@H]1CC[N@@H+]3CCCC[C@H]13)c2-c1ccccc1 ZINC000055996716 823076388 /nfs/dbraw/zinc/07/63/88/823076388.db2.gz DHWWQZTXOMVMSF-WOJBJXKFSA-N 1 0 390.483 4.465 20 0 GIADRO CC(C)(O)c1ccc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)cc1 ZINC000187507909 823077395 /nfs/dbraw/zinc/07/73/95/823077395.db2.gz KHGRXFHZONFOCI-UHFFFAOYSA-N 1 0 398.510 4.452 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)NCCCCCCOc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000187510424 823077867 /nfs/dbraw/zinc/07/78/67/823077867.db2.gz LFRNEKBAALTCJV-PKOBYXMFSA-N 1 0 395.975 4.403 20 0 GIADRO Cn1cc([C@H]2C[N@@H+]([C@H](C(=O)Nc3ccccc3)c3ccccc3)CC2(C)C)cn1 ZINC000570735902 823078751 /nfs/dbraw/zinc/07/87/51/823078751.db2.gz AGCMLIJUDIXPGR-YADHBBJMSA-N 1 0 388.515 4.226 20 0 GIADRO CC(C)C[C@@]1(C)CCCN1C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000458731590 823079225 /nfs/dbraw/zinc/07/92/25/823079225.db2.gz GOUOQBCFHFUCEF-FAFZWHIHSA-N 1 0 389.506 4.402 20 0 GIADRO Cc1oc(-c2ccsc2)nc1CC(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000570744478 823079919 /nfs/dbraw/zinc/07/99/19/823079919.db2.gz ZVSKBHAYNQGANY-GOSISDBHSA-N 1 0 397.500 4.278 20 0 GIADRO COCCCOc1ccc(C[NH2+][C@H](C)c2nc3ccc(Cl)cc3n2C)cc1 ZINC000570747466 823080209 /nfs/dbraw/zinc/08/02/09/823080209.db2.gz VVCUOIJXNWVINV-OAHLLOKOSA-N 1 0 387.911 4.493 20 0 GIADRO C[C@H](N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(N2CCCC2=O)cc1 ZINC000120873803 823080493 /nfs/dbraw/zinc/08/04/93/823080493.db2.gz GFZTZZAQXMWXMB-CVDCTZTESA-N 1 0 377.532 4.301 20 0 GIADRO O=C1Nc2ccccc2C12CCC([NH2+][C@@H](CN1CCCC1)c1ccccc1)CC2 ZINC000120876031 823080631 /nfs/dbraw/zinc/08/06/31/823080631.db2.gz LKMRRBAMDNQLAC-KOXWRSSLSA-N 1 0 389.543 4.246 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000458748457 823080962 /nfs/dbraw/zinc/08/09/62/823080962.db2.gz ZYXRFTXYGWCZEI-JCNLHEQBSA-N 1 0 385.474 4.371 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)c1ccc(Cn2cccn2)cc1 ZINC000056042301 823081122 /nfs/dbraw/zinc/08/11/22/823081122.db2.gz RETMIINLPCEBAJ-UHFFFAOYSA-N 1 0 388.515 4.212 20 0 GIADRO Cc1nn(C)c2sc(C(=O)Nc3ccc(CC[NH+]4CCCCC4)cc3)cc12 ZINC000056042285 823081284 /nfs/dbraw/zinc/08/12/84/823081284.db2.gz IOZVQBLVAUVNML-UHFFFAOYSA-N 1 0 382.533 4.224 20 0 GIADRO CC[C@H](NC(=O)NCCC1CC[NH+](CC)CC1)c1nc(C(F)(F)F)cs1 ZINC000175954490 823081416 /nfs/dbraw/zinc/08/14/16/823081416.db2.gz RUOYZNVWKGYULD-ZDUSSCGKSA-N 1 0 392.491 4.034 20 0 GIADRO COc1cc(Cl)c(NC(=O)NCC[N@H+](C)Cc2ccc(F)cc2)cc1C ZINC000570758493 823082238 /nfs/dbraw/zinc/08/22/38/823082238.db2.gz PXPVLCSAIKQYNB-UHFFFAOYSA-N 1 0 379.863 4.050 20 0 GIADRO CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]Cc1cc(C)nc(N3CCCC3)c1)CCC2 ZINC000570763593 823082876 /nfs/dbraw/zinc/08/28/76/823082876.db2.gz AEISXEBBFSDEOB-SFHVURJKSA-N 1 0 397.519 4.236 20 0 GIADRO O=C(Nc1ccccc1F)Nc1cccc2c1CC[N@H+](CC[C@H]1CCOC1)C2 ZINC000570765450 823083585 /nfs/dbraw/zinc/08/35/85/823083585.db2.gz PMNPHTXKYGUDSW-INIZCTEOSA-N 1 0 383.467 4.254 20 0 GIADRO C[C@@H](N[C@@H](C)c1ncc(Br)cc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000187536006 823084182 /nfs/dbraw/zinc/08/41/82/823084182.db2.gz RFEWNOBBXXOBQE-HZSPNIEDSA-N 1 0 384.337 4.287 20 0 GIADRO CCC[N@H+](C)[C@@H](CNC(=O)N(C)Cc1cccc(C)n1)c1ccc(Cl)cc1 ZINC000458789389 823085772 /nfs/dbraw/zinc/08/57/72/823085772.db2.gz ZAUDVWBIWYRPHM-FQEVSTJZSA-N 1 0 388.943 4.268 20 0 GIADRO Cc1ccc2c(c1)[C@H](NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)CCC2 ZINC000458789393 823085781 /nfs/dbraw/zinc/08/57/81/823085781.db2.gz DTQLRAONXMYLLS-LJQANCHMSA-N 1 0 397.485 4.431 20 0 GIADRO CCOc1ccc2c(c1)[C@@H]([NH2+]Cc1c[nH]nc1-c1ccc(OC)cc1)CCO2 ZINC000187553220 823087497 /nfs/dbraw/zinc/08/74/97/823087497.db2.gz HQZOKOSFCUQZJM-FQEVSTJZSA-N 1 0 379.460 4.097 20 0 GIADRO C[C@@H]([NH2+]C[C@](C)(O)c1cccc(Cl)c1)c1ncc(Br)cc1F ZINC000187554049 823087581 /nfs/dbraw/zinc/08/75/81/823087581.db2.gz NUNLEFKSEYRFOG-HWPZZCPQSA-N 1 0 387.680 4.195 20 0 GIADRO [NH3+]C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000570792572 823088105 /nfs/dbraw/zinc/08/81/05/823088105.db2.gz MLHXAJHNJWXNDS-OKZBNKHCSA-N 1 0 389.524 4.263 20 0 GIADRO Cc1nc(COc2cccc(C(=O)N[C@H](CCC[NH3+])c3ccccc3)c2)cs1 ZINC000570800675 823089286 /nfs/dbraw/zinc/08/92/86/823089286.db2.gz XERAVNMNBPMPKS-OAQYLSRUSA-N 1 0 395.528 4.241 20 0 GIADRO [NH3+]CCc1ccccc1C(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000570810354 823090275 /nfs/dbraw/zinc/09/02/75/823090275.db2.gz JNTFENXESQUXIX-UHFFFAOYSA-N 1 0 399.947 4.471 20 0 GIADRO COc1ccc(C[N@H+](Cc2cnn(CC(F)(F)F)c2)[C@H](C)C2CC2)c(OC)c1 ZINC000570810194 823090288 /nfs/dbraw/zinc/09/02/88/823090288.db2.gz CVSVBYMPCYCSGY-CQSZACIVSA-N 1 0 397.441 4.263 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CN[C@H](C(=O)NC2CC2)c2ccccc2)cc1 ZINC000056154636 823090868 /nfs/dbraw/zinc/09/08/68/823090868.db2.gz JQSMXWCXKPVEFV-DVECYGJZSA-N 1 0 391.559 4.171 20 0 GIADRO CCOC(=O)[C@H]1CC[C@@H]([NH2+]C2CCN(Cc3ccccc3)CC2)c2ccccc21 ZINC000570818504 823091337 /nfs/dbraw/zinc/09/13/37/823091337.db2.gz CEBGDPWAQSEBEX-BJKOFHAPSA-N 1 0 392.543 4.422 20 0 GIADRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cccc(OC(C)C)c2)cc1OC ZINC000056156732 823091409 /nfs/dbraw/zinc/09/14/09/823091409.db2.gz UEUQCAHBMVBFPK-HOTGVXAUSA-N 1 0 386.492 4.169 20 0 GIADRO C[C@H]1CN(C(=O)NCC[C@@H](c2ccccc2)C(F)(F)F)CC[N@@H+](C2CCC2)C1 ZINC000458818584 823091496 /nfs/dbraw/zinc/09/14/96/823091496.db2.gz MZKSNZKSWKQXRS-APWZRJJASA-N 1 0 397.485 4.238 20 0 GIADRO CCOC(=O)C(C)(C)C1CC[NH+](Cc2cc(OC)ccc2OC(F)F)CC1 ZINC000570822855 823091899 /nfs/dbraw/zinc/09/18/99/823091899.db2.gz JUKKFYIDMCTREX-UHFFFAOYSA-N 1 0 385.451 4.098 20 0 GIADRO O=C(Nc1ccc2c(c1)CCC2)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000570825136 823092149 /nfs/dbraw/zinc/09/21/49/823092149.db2.gz HOJPZFLRVDXDMV-VXKWHMMOSA-N 1 0 375.516 4.161 20 0 GIADRO CCCOc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2c(F)cccc2F)cc1OC ZINC000056161844 823092814 /nfs/dbraw/zinc/09/28/14/823092814.db2.gz SHPZUFHDDYXSEL-KBPBESRZSA-N 1 0 392.446 4.440 20 0 GIADRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2c(F)cccc2Br)C1 ZINC000176004405 823093055 /nfs/dbraw/zinc/09/30/55/823093055.db2.gz WCPGYNVJEXJSIH-KBPBESRZSA-N 1 0 385.321 4.076 20 0 GIADRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(OC(C)C)cc2)cc1OC ZINC000056163545 823093786 /nfs/dbraw/zinc/09/37/86/823093786.db2.gz RIHZGRVGBXMVLX-HOTGVXAUSA-N 1 0 386.492 4.169 20 0 GIADRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)[C@H](Sc1ccccc1F)c1ccccc1 ZINC000570841102 823093900 /nfs/dbraw/zinc/09/39/00/823093900.db2.gz BDQCQJONGWHPMP-CFFQYKALSA-N 1 0 384.520 4.291 20 0 GIADRO CCc1nnc(-c2ccc(NC(=O)N3CC[NH+](C4CCC(C)CC4)CC3)cc2)o1 ZINC000176008988 823094979 /nfs/dbraw/zinc/09/49/79/823094979.db2.gz HVYKJMABXPIKKX-UHFFFAOYSA-N 1 0 397.523 4.027 20 0 GIADRO Clc1ccc(-c2cc(C[NH+]3CCC(c4nnc5ccccn54)CC3)on2)cc1 ZINC000120973722 823095518 /nfs/dbraw/zinc/09/55/18/823095518.db2.gz LQHJZGLZFOQQGG-UHFFFAOYSA-N 1 0 393.878 4.417 20 0 GIADRO CC[C@@]1(CO)CCC[N@H+](Cc2coc(-c3ccc(Br)cc3)n2)C1 ZINC000187599039 823095519 /nfs/dbraw/zinc/09/55/19/823095519.db2.gz DXNWNXFFMQICJF-GOSISDBHSA-N 1 0 379.298 4.089 20 0 GIADRO CCc1nc(C)c([C@@H](C)N(C)C(=O)NC2CC[NH+](CC3CCCC3)CC2)s1 ZINC000176016917 823096703 /nfs/dbraw/zinc/09/67/03/823096703.db2.gz JBHQIWHNCMKFNX-MRXNPFEDSA-N 1 0 392.613 4.371 20 0 GIADRO COc1ccc(C[NH2+]C[C@@H](Cc2ccccc2)C(F)(F)F)c(OC)c1OC ZINC000570863037 823098076 /nfs/dbraw/zinc/09/80/76/823098076.db2.gz RDDVQWGREZAOMQ-MRXNPFEDSA-N 1 0 383.410 4.223 20 0 GIADRO CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000056207117 823103224 /nfs/dbraw/zinc/10/32/24/823103224.db2.gz BHDLEOLORFTACZ-CVEARBPZSA-N 1 0 399.510 4.422 20 0 GIADRO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]([NH2+]C[C@H]1CCCOC1)c1ccccc1 ZINC000056205934 823102870 /nfs/dbraw/zinc/10/28/70/823102870.db2.gz ZQEJHHCLUZRZSG-BEFAXECRSA-N 1 0 392.421 4.401 20 0 GIADRO CCc1nnc(-c2ccc(NC(=O)NC[C@@H](c3ccco3)[NH+](CC)CC)cc2)o1 ZINC000176030850 823100282 /nfs/dbraw/zinc/10/02/82/823100282.db2.gz FYKFGKASSZFFNE-KRWDZBQOSA-N 1 0 397.479 4.097 20 0 GIADRO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000570876518 823100597 /nfs/dbraw/zinc/10/05/97/823100597.db2.gz JLVVRMDJZUYIGH-USXIJHARSA-N 1 0 384.442 4.022 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000056196026 823100721 /nfs/dbraw/zinc/10/07/21/823100721.db2.gz JSHDWRTWCNHDGO-IAGOWNOFSA-N 1 0 396.491 4.263 20 0 GIADRO Cc1nc2sccn2c1-c1noc([C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)n1 ZINC000570880464 823101235 /nfs/dbraw/zinc/10/12/35/823101235.db2.gz SNPYAJWQRARWNA-GHMZBOCLSA-N 1 0 399.442 4.130 20 0 GIADRO CSc1ccc([C@@H](CNC(=O)N(Cc2ccco2)C(C)C)[NH+](C)C)cc1 ZINC000458885558 823102013 /nfs/dbraw/zinc/10/20/13/823102013.db2.gz GXDLAEFSGSDBBX-LJQANCHMSA-N 1 0 375.538 4.224 20 0 GIADRO CN(C(=O)c1ccc(OC(C)(C)C)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000176035848 823102334 /nfs/dbraw/zinc/10/23/34/823102334.db2.gz IRALKRIQTCJRLP-UHFFFAOYSA-N 1 0 395.547 4.038 20 0 GIADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2c(F)cc(C(F)(F)F)cc2F)C1 ZINC000570892890 823103439 /nfs/dbraw/zinc/10/34/39/823103439.db2.gz ZZBMATNAPVGASI-GFCCVEGCSA-N 1 0 378.385 4.081 20 0 GIADRO CSc1ccc([C@@H](CNC(=O)NC(C)(C)c2ncc(C)s2)[NH+](C)C)cc1 ZINC000458901980 823103848 /nfs/dbraw/zinc/10/38/48/823103848.db2.gz SELSFHLXUMRUTN-MRXNPFEDSA-N 1 0 392.594 4.011 20 0 GIADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc(OC(F)(F)F)c(Cl)c1 ZINC000570925154 823108454 /nfs/dbraw/zinc/10/84/54/823108454.db2.gz HPAINPBZOCUESB-FZMZJTMJSA-N 1 0 391.821 4.329 20 0 GIADRO Cc1cccc(COc2ccc(CNC(=O)N(C)[C@H]3CC[N@@H+](C)C[C@@H]3C)cc2)c1 ZINC000176044896 823105237 /nfs/dbraw/zinc/10/52/37/823105237.db2.gz QBNGQHYINXTWJE-CVDCTZTESA-N 1 0 395.547 4.056 20 0 GIADRO C[C@H](NC(=O)NCc1ccc(C[NH+](C)C)cc1)c1cccc(Br)c1 ZINC000121036807 823106799 /nfs/dbraw/zinc/10/67/99/823106799.db2.gz OOVJIXBMGOQGLX-AWEZNQCLSA-N 1 0 390.325 4.071 20 0 GIADRO CN(C(=O)NC[C@H]1CCCCC1(F)F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000458930514 823107987 /nfs/dbraw/zinc/10/79/87/823107987.db2.gz DQSUVOCXKGPOPR-GOSISDBHSA-N 1 0 379.495 4.118 20 0 GIADRO CCN(c1ccccc1)c1ccc(CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000176054682 823108163 /nfs/dbraw/zinc/10/81/63/823108163.db2.gz QLHUDOSWOGFCSK-AUSIDOKSSA-N 1 0 394.563 4.469 20 0 GIADRO COc1ccc(C[N@@H+]2CCC[C@H](c3nc(C(F)(F)F)cn3C)C2)c(C)c1OC ZINC000570972617 823113866 /nfs/dbraw/zinc/11/38/66/823113866.db2.gz HNRPUMNULPRJIV-HNNXBMFYSA-N 1 0 397.441 4.144 20 0 GIADRO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)CCc1ccc(Br)cc1 ZINC000187673586 823110628 /nfs/dbraw/zinc/11/06/28/823110628.db2.gz KXQLIQAGOZTYIF-AWEZNQCLSA-N 1 0 396.350 4.088 20 0 GIADRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)C1(Cc2ccccc2F)CC1 ZINC000187693693 823114385 /nfs/dbraw/zinc/11/43/85/823114385.db2.gz RIVONIOUSJWTAE-KRWDZBQOSA-N 1 0 386.536 4.238 20 0 GIADRO CC[C@H]([NH2+][C@H]1CCc2c1cc(F)cc2F)c1ccccc1OCC(=O)N(C)C ZINC000121103351 823119210 /nfs/dbraw/zinc/11/92/10/823119210.db2.gz ZIIDVYHCGPSKIT-PMACEKPBSA-N 1 0 388.458 4.160 20 0 GIADRO CCC[N@@H+]1CC[C@H](CNCc2cc(C(F)(F)F)ccc2Br)C1 ZINC000570977608 823114739 /nfs/dbraw/zinc/11/47/39/823114739.db2.gz AKYDFKIGHQKSJT-GFCCVEGCSA-N 1 0 379.264 4.289 20 0 GIADRO CCC[C@@H](NC(=O)N(C)C[C@@H]1CCC[N@H+](CC)[C@H]1c1cnn(C)c1)C(C)(C)C ZINC000459003526 823115305 /nfs/dbraw/zinc/11/53/05/823115305.db2.gz LWUPDLRTNJQJBK-DFQSSKMNSA-N 1 0 391.604 4.049 20 0 GIADRO CCN(C(=O)NC[C@@H]1CCOC2(CCC2)C1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000459036617 823119317 /nfs/dbraw/zinc/11/93/17/823119317.db2.gz ZXFZEOXALHSCKV-VWPQPMDRSA-N 1 0 399.579 4.203 20 0 GIADRO Cc1ccc(SCCC(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)cc1 ZINC000121088126 823115980 /nfs/dbraw/zinc/11/59/80/823115980.db2.gz OEVFLCARMQJEQC-UHFFFAOYSA-N 1 0 398.572 4.320 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1ccc(C(=O)c2cc[nH]c2)cc1 ZINC000176087327 823116406 /nfs/dbraw/zinc/11/64/06/823116406.db2.gz RPNVHBDRFCLEMW-UHFFFAOYSA-N 1 0 389.499 4.016 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc2c(c1)CCCC2=O ZINC000570991191 823116652 /nfs/dbraw/zinc/11/66/52/823116652.db2.gz WGRXNUGYNLBQMV-HXUWFJFHSA-N 1 0 390.527 4.190 20 0 GIADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)c1cccc(C(=O)OC(C)(C)C)c1)c1ccco1 ZINC000570997976 823117504 /nfs/dbraw/zinc/11/75/04/823117504.db2.gz JQWNHSRJPSNDIV-YJBOKZPZSA-N 1 0 386.492 4.094 20 0 GIADRO CCS(=O)(=O)c1ccc2oc(CN3C[C@H](c4ccc(C)cc4)C[C@@H]3C)nc2c1 ZINC000570997087 823117563 /nfs/dbraw/zinc/11/75/63/823117563.db2.gz NTXRRQQRGXZSDS-FUHWJXTLSA-N 1 0 398.528 4.308 20 0 GIADRO CCCC(O)(CCC)C[NH2+]Cc1c(Br)cncc1Br ZINC000571012182 823119819 /nfs/dbraw/zinc/11/98/19/823119819.db2.gz UKCRWQQRALFPRH-UHFFFAOYSA-N 1 0 394.151 4.028 20 0 GIADRO Cc1nc(C(C)C)sc1[C@@H](C)N(C)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000121110105 823120288 /nfs/dbraw/zinc/12/02/88/823120288.db2.gz KFDGJULZUMARIT-CYBMUJFWSA-N 1 0 390.940 4.429 20 0 GIADRO C[C@H]1C[C@@H](NC(=O)c2ccccc2Br)CC[N@@H+]1Cc1ccccc1 ZINC000176103186 823121654 /nfs/dbraw/zinc/12/16/54/823121654.db2.gz ITMZLESLTAZUCP-RDJZCZTQSA-N 1 0 387.321 4.232 20 0 GIADRO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)C[C@H](O)COCc1ccccc1F ZINC000121128069 823123116 /nfs/dbraw/zinc/12/31/16/823123116.db2.gz QMZOOQLOYRNOMM-WBVHZDCISA-N 1 0 380.529 4.285 20 0 GIADRO COc1ccc(S[C@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000176115643 823125054 /nfs/dbraw/zinc/12/50/54/823125054.db2.gz PJNRPRMTSCSKAY-NSHGMRRFSA-N 1 0 398.572 4.345 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1cccc(Cl)c1 ZINC000121139852 823125386 /nfs/dbraw/zinc/12/53/86/823125386.db2.gz URGMCZFCRMKPRV-LIRRHRJNSA-N 1 0 380.941 4.392 20 0 GIADRO CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@H]1CCO[C@@H](c2cccs2)C1 ZINC000459092492 823126694 /nfs/dbraw/zinc/12/66/94/823126694.db2.gz YGTFUAUEFCINJQ-RBUKOAKNSA-N 1 0 393.597 4.266 20 0 GIADRO Cc1nc(-c2c[nH]c(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)c2)cs1 ZINC000176122591 823128041 /nfs/dbraw/zinc/12/80/41/823128041.db2.gz AIHXPDJSGSAOKF-DNVCBOLYSA-N 1 0 394.544 4.230 20 0 GIADRO CCCN(C(=O)N[C@H](C)c1cnn(CC)c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000459099936 823128091 /nfs/dbraw/zinc/12/80/91/823128091.db2.gz KZUZJZKXZVAEBU-DENIHFKCSA-N 1 0 397.567 4.050 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)c2cc(F)c(F)c(F)c2F)CC[N@@H+]1Cc1ccccc1 ZINC000176127863 823130169 /nfs/dbraw/zinc/13/01/69/823130169.db2.gz QPDAEHPMGXJDFN-TZMCWYRMSA-N 1 0 380.385 4.026 20 0 GIADRO CSc1nc(C)c(CCC(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)c(C)n1 ZINC000056326917 823128552 /nfs/dbraw/zinc/12/85/52/823128552.db2.gz IXLKWXSGZGIGBQ-UHFFFAOYSA-N 1 0 398.576 4.025 20 0 GIADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1cc(F)cc(F)c1Br ZINC000190656936 823595861 /nfs/dbraw/zinc/59/58/61/823595861.db2.gz FWZDATCLJJLEPT-LBPRGKRZSA-N 1 0 390.272 4.065 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)NC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000459106148 823128747 /nfs/dbraw/zinc/12/87/47/823128747.db2.gz NZRADXNJIJKMOT-UHFFFAOYSA-N 1 0 395.469 4.401 20 0 GIADRO CO[C@@H](C)c1nc(CN2CCC[N@H+](CCCc3ccsc3)CC2)cs1 ZINC000571079485 823128793 /nfs/dbraw/zinc/12/87/93/823128793.db2.gz SWOYYXWETJOFEW-INIZCTEOSA-N 1 0 379.595 4.053 20 0 GIADRO Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000056331825 823129447 /nfs/dbraw/zinc/12/94/47/823129447.db2.gz SLZRFXBOXSLVBU-UHFFFAOYSA-N 1 0 377.410 4.299 20 0 GIADRO CC(C)NC(=O)Nc1cccc(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)c1 ZINC000056332771 823129774 /nfs/dbraw/zinc/12/97/74/823129774.db2.gz DMEGLHSRKHQELG-UHFFFAOYSA-N 1 0 394.519 4.107 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)Cc2csc(-c3ccoc3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000176129952 823130947 /nfs/dbraw/zinc/13/09/47/823130947.db2.gz HKBKTUSJCHTLLQ-VQIMIIECSA-N 1 0 395.528 4.115 20 0 GIADRO Cc1nccnc1[C@@H](C)[NH2+]C[C@H](c1ccccc1)N1CCc2sccc2C1 ZINC000187777690 823130999 /nfs/dbraw/zinc/13/09/99/823130999.db2.gz NIBCWMQEYAJUHS-YLJYHZDGSA-N 1 0 378.545 4.297 20 0 GIADRO COc1ccc(Cl)cc1CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000176131703 823131576 /nfs/dbraw/zinc/13/15/76/823131576.db2.gz CBVJHDDZNWHBHV-OXJNMPFZSA-N 1 0 386.923 4.060 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@H]1c1cccc(F)c1 ZINC000056344868 823131833 /nfs/dbraw/zinc/13/18/33/823131833.db2.gz QEPXVMNDKLERTR-QFIPXVFZSA-N 1 0 381.495 4.337 20 0 GIADRO C[C@H](C[C@@H](O)c1cccs1)[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000121173903 823132228 /nfs/dbraw/zinc/13/22/28/823132228.db2.gz OSPFMCILSDJCSJ-RDTXWAMCSA-N 1 0 392.952 4.108 20 0 GIADRO Cc1cc2cc(NC(=O)N(C)C[C@H]3CC[N@H+](Cc4ccccc4)C3)ccc2[nH]1 ZINC000176134763 823132238 /nfs/dbraw/zinc/13/22/38/823132238.db2.gz BQWLUHPSDQHMFG-LJQANCHMSA-N 1 0 376.504 4.462 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@H](C)C[C@H](O)c2cccs2)nnn1-c1cccc(Cl)c1 ZINC000121177619 823132884 /nfs/dbraw/zinc/13/28/84/823132884.db2.gz CYMYAPFOMIKVFE-IGCXYCKISA-N 1 0 390.940 4.453 20 0 GIADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N[C@@H](C)c2cccc(OCc3ccccc3)c2)C1 ZINC000571122157 823135818 /nfs/dbraw/zinc/13/58/18/823135818.db2.gz ZWCHYTRIOUGEDB-FPOVZHCZSA-N 1 0 395.547 4.356 20 0 GIADRO Cn1c2ccccc2cc(C[NH2+][C@H](c2ccccc2)C2(CO)CCCCC2)c1=O ZINC000571104915 823132992 /nfs/dbraw/zinc/13/29/92/823132992.db2.gz XXAZLAULDHRUTF-HSZRJFAPSA-N 1 0 390.527 4.312 20 0 GIADRO O=C(N[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1)N1CCC([NH+]2CCCC2)CC1 ZINC000459147024 823134933 /nfs/dbraw/zinc/13/49/33/823134933.db2.gz SUDGAEBRPSGKLJ-IEBWSBKVSA-N 1 0 375.944 4.246 20 0 GIADRO O=C(N[C@H]1CC[C@@H](c2cccc(Cl)c2)C1)N1CCC([NH+]2CCCC2)CC1 ZINC000459147025 823134976 /nfs/dbraw/zinc/13/49/76/823134976.db2.gz SUDGAEBRPSGKLJ-MJGOQNOKSA-N 1 0 375.944 4.246 20 0 GIADRO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000121193589 823135921 /nfs/dbraw/zinc/13/59/21/823135921.db2.gz HGYGQIAYOBCALZ-SFHVURJKSA-N 1 0 383.927 4.304 20 0 GIADRO C[C@@H](c1cc(F)ccc1F)N(C)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000056360378 823135956 /nfs/dbraw/zinc/13/59/56/823135956.db2.gz IPOCMQBUBIZTPV-KBXCAEBGSA-N 1 0 377.435 4.097 20 0 GIADRO O=C1C[C@H]([C@@H]2CCCC[N@@H+]2CC(Cc2ccccc2)Cc2ccccc2)CN1 ZINC000571132051 823138075 /nfs/dbraw/zinc/13/80/75/823138075.db2.gz VEJWMWSTNHSING-ZEQRLZLVSA-N 1 0 376.544 4.079 20 0 GIADRO Cc1cc2cc(NC(=O)c3cccc(C[NH+]4CCCCC4)c3)ccc2n(C)c1=O ZINC000571144117 823140222 /nfs/dbraw/zinc/14/02/22/823140222.db2.gz SHUCJCGGFOOAIM-UHFFFAOYSA-N 1 0 389.499 4.085 20 0 GIADRO CC(=O)c1cccc(NC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000121214623 823139966 /nfs/dbraw/zinc/13/99/66/823139966.db2.gz NGZNIARIGYYGCX-VGSWGCGISA-N 1 0 379.504 4.406 20 0 GIADRO COc1ccc([C@@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)c2ccco2)cc1 ZINC000459190021 823140866 /nfs/dbraw/zinc/14/08/66/823140866.db2.gz DHIRICZASUFIHF-DENIHFKCSA-N 1 0 397.519 4.038 20 0 GIADRO COc1cc([C@@H](C)[NH2+]Cc2c(C)cc(C)cc2C)ccc1S(=O)(=O)C(F)F ZINC000121219030 823140863 /nfs/dbraw/zinc/14/08/63/823140863.db2.gz KWHYGFRHAXUNKB-OAHLLOKOSA-N 1 0 397.487 4.468 20 0 GIADRO COc1ccc([C@@H](NC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)c2ccco2)cc1 ZINC000459190024 823141026 /nfs/dbraw/zinc/14/10/26/823141026.db2.gz DHIRICZASUFIHF-SIKLNZKXSA-N 1 0 397.519 4.038 20 0 GIADRO Brc1cncc([C@@H]([NH2+]Cc2cc(-n3ccnc3)cs2)C2CC2)c1 ZINC000571151301 823141269 /nfs/dbraw/zinc/14/12/69/823141269.db2.gz ZMDDNADELKTHTC-KRWDZBQOSA-N 1 0 389.322 4.332 20 0 GIADRO CC(C)[NH+]1CCC(NC(=O)CSCc2ccc(Cl)cc2Cl)CC1 ZINC000056389404 823141436 /nfs/dbraw/zinc/14/14/36/823141436.db2.gz BJQJWHFTZYWWGZ-UHFFFAOYSA-N 1 0 375.365 4.216 20 0 GIADRO C[C@H](Oc1ccccc1NC(=O)NCc1cccc(C[NH+](C)C)c1)C(F)(F)F ZINC000571153472 823141517 /nfs/dbraw/zinc/14/15/17/823141517.db2.gz GNCPABDWFZKOEF-AWEZNQCLSA-N 1 0 395.425 4.400 20 0 GIADRO CC[N@H+](CCc1nccs1)[C@H](C)C(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000121227646 823142464 /nfs/dbraw/zinc/14/24/64/823142464.db2.gz FJPYNCNYGNLTJJ-DLBZAZTESA-N 1 0 381.545 4.427 20 0 GIADRO CC(=O)c1ccc(NC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000121228616 823142791 /nfs/dbraw/zinc/14/27/91/823142791.db2.gz ZMEYEDRKNIWVDS-JTSKRJEESA-N 1 0 379.504 4.406 20 0 GIADRO O=C(c1ccc(Oc2ccccc2Cl)nc1)N1CCC([NH2+]CC2CC2)CC1 ZINC000571162727 823142840 /nfs/dbraw/zinc/14/28/40/823142840.db2.gz HIQXAIHULUFYIW-UHFFFAOYSA-N 1 0 385.895 4.132 20 0 GIADRO Fc1ccc([C@H](NCC2CC[NH+](Cc3ccccc3)CC2)c2ncc[nH]2)cc1 ZINC000187837240 823143305 /nfs/dbraw/zinc/14/33/05/823143305.db2.gz ZHQVTIGYGKRYAA-QFIPXVFZSA-N 1 0 378.495 4.140 20 0 GIADRO O=C(NCc1ccc2c[nH+]cn2c1)N(Cc1c(F)cccc1F)C1CCCC1 ZINC000459215135 823145923 /nfs/dbraw/zinc/14/59/23/823145923.db2.gz RVYYWMBTMOQFRV-UHFFFAOYSA-N 1 0 384.430 4.267 20 0 GIADRO C[NH+](C)CCN(Cc1ccco1)C(=O)c1ccc(Sc2ccccn2)cc1 ZINC000121238407 823145054 /nfs/dbraw/zinc/14/50/54/823145054.db2.gz XJURCVRLAVTUCY-UHFFFAOYSA-N 1 0 381.501 4.030 20 0 GIADRO C[C@@H](CCCc1cccnc1)NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000459213682 823145353 /nfs/dbraw/zinc/14/53/53/823145353.db2.gz NRRNQOKUBKNRBG-FQEVSTJZSA-N 1 0 386.584 4.090 20 0 GIADRO CCc1nn(C)c(OC)c1C[NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000571186176 823145385 /nfs/dbraw/zinc/14/53/85/823145385.db2.gz UHQIPFRWTZLXQJ-CRAIPNDOSA-N 1 0 381.442 4.436 20 0 GIADRO Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000121240409 823145506 /nfs/dbraw/zinc/14/55/06/823145506.db2.gz IPDSKZPCXWAQCE-GOSISDBHSA-N 1 0 383.927 4.304 20 0 GIADRO C[C@@H](CCCc1cccnc1)NC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000459189286 823140651 /nfs/dbraw/zinc/14/06/51/823140651.db2.gz BMJQJXGOUXGEOS-OXJNMPFZSA-N 1 0 388.943 4.048 20 0 GIADRO COc1ccc([C@@H](NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)c2ccco2)cc1 ZINC000459217132 823146372 /nfs/dbraw/zinc/14/63/72/823146372.db2.gz PRVAJUJCVKMVMJ-JOCHJYFZSA-N 1 0 397.519 4.038 20 0 GIADRO C[C@@H](CCCc1cccnc1)NC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000459219943 823146851 /nfs/dbraw/zinc/14/68/51/823146851.db2.gz RJFFPFFSMKWATJ-REWPJTCUSA-N 1 0 394.563 4.099 20 0 GIADRO C[C@H](c1ccccc1Cl)N(C)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000056421677 823147353 /nfs/dbraw/zinc/14/73/53/823147353.db2.gz OAMAOJFNPDECMJ-MRXNPFEDSA-N 1 0 386.927 4.102 20 0 GIADRO CC(=O)c1ccc(OC[C@@H](O)C[NH2+]C[C@@H](C)c2ccc(C(F)(F)F)cc2)cc1 ZINC000571199178 823147464 /nfs/dbraw/zinc/14/74/64/823147464.db2.gz VDDWBKIASOZYHN-KUHUBIRLSA-N 1 0 395.421 4.041 20 0 GIADRO CC[C@@H](NC(=O)NC1CC[NH+](Cc2ccncc2)CC1)c1ccc(Cl)cc1 ZINC000056422003 823147519 /nfs/dbraw/zinc/14/75/19/823147519.db2.gz AYYKDWHZOBKSOP-HXUWFJFHSA-N 1 0 386.927 4.150 20 0 GIADRO CCC(CC)n1ncc(-c2nc(-c3ccccc3OCC[NH+](C)C)no2)c1C ZINC000571215729 823149694 /nfs/dbraw/zinc/14/96/94/823149694.db2.gz FPOSDDDXOIWZHT-UHFFFAOYSA-N 1 0 383.496 4.210 20 0 GIADRO C[N@@H+]1CCC[C@H](CCNC(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)C1 ZINC000459243794 823150839 /nfs/dbraw/zinc/15/08/39/823150839.db2.gz ACXNJANHOICZOT-QGZVFWFLSA-N 1 0 395.507 4.184 20 0 GIADRO c1ccc(CSc2cc(NC3CC[NH+](Cc4ccccn4)CC3)ncn2)cc1 ZINC000571224999 823151541 /nfs/dbraw/zinc/15/15/41/823151541.db2.gz QESSJIPFILKDTF-UHFFFAOYSA-N 1 0 391.544 4.240 20 0 GIADRO NC(=O)c1ccc(-c2nc(C[N@@H+]3CC[C@H](Cc4ccc(F)cc4)C3)cs2)cc1 ZINC000121279558 823153698 /nfs/dbraw/zinc/15/36/98/823153698.db2.gz CDQJENHLIFALCZ-MRXNPFEDSA-N 1 0 395.503 4.113 20 0 GIADRO COc1cc(C)ccc1Oc1ccc(NC(=O)NCC[C@@H]2CCC[N@H+](C)C2)cn1 ZINC000459274635 823155050 /nfs/dbraw/zinc/15/50/50/823155050.db2.gz ZRBDDOIXKKNKIZ-KRWDZBQOSA-N 1 0 398.507 4.044 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C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C/C=C/c1ccc(OCc2ccccc2)cc1 ZINC000459337851 823164304 /nfs/dbraw/zinc/16/43/04/823164304.db2.gz BVJCFFOILSKZTH-AXJDHONKSA-N 1 0 387.545 4.032 20 0 GIADRO c1ccc(CN2CCO[C@H](C[NH2+][C@H]3CCCc4c5ccccc5[nH]c43)C2)cc1 ZINC000571319646 823164833 /nfs/dbraw/zinc/16/48/33/823164833.db2.gz YMGIYJPZRUPPMQ-XXBNENTESA-N 1 0 375.516 4.036 20 0 GIADRO CCOc1ccc(C[N@@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)cc1OCC ZINC000571322353 823164879 /nfs/dbraw/zinc/16/48/79/823164879.db2.gz JCPMCHOYYXTABF-HSZRJFAPSA-N 1 0 387.495 4.050 20 0 GIADRO CCOc1ccc(Oc2cc(C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)ccn2)cc1 ZINC000121342926 823166406 /nfs/dbraw/zinc/16/64/06/823166406.db2.gz SUCICKOTOPJIMO-NNWRFLSQSA-N 1 0 380.488 4.320 20 0 GIADRO C[N@@H+]1CCC[C@@H]1CCN1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 ZINC000121339185 823165945 /nfs/dbraw/zinc/16/59/45/823165945.db2.gz MMRKXRDBVOARSD-GOSISDBHSA-N 1 0 396.510 4.312 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+]CCNC(=O)c1ccccc1Cl)CCCS2 ZINC000188009923 823171646 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CC(C)c1cccc(O[C@H](C(=O)NCCc2cncn2C)c2ccccc2)c1 ZINC000121350777 823168436 /nfs/dbraw/zinc/16/84/36/823168436.db2.gz PETNDBZTGGIQLV-QFIPXVFZSA-N 1 0 377.488 4.023 20 0 GIADRO Cc1cc(C[NH+](C)C)cc(NC(=O)c2ccc(C(=O)NCC(C)(C)C)cc2)c1 ZINC000571349209 823169179 /nfs/dbraw/zinc/16/91/79/823169179.db2.gz HJYCSFYWOHJRFX-UHFFFAOYSA-N 1 0 381.520 4.085 20 0 GIADRO CCc1nnc(-c2ccc(NC(=O)N[C@@H](C)[C@@H](c3ccccc3)[NH+](C)C)cc2)o1 ZINC000571353759 823169880 /nfs/dbraw/zinc/16/98/80/823169880.db2.gz XGKNJYYJTNKLMP-YWZLYKJASA-N 1 0 393.491 4.112 20 0 GIADRO CCCN(C(=O)c1cccs1)C1CC[NH+](CCOCC2CCCC2)CC1 ZINC000459355642 823170238 /nfs/dbraw/zinc/17/02/38/823170238.db2.gz XFIFKEQYPCLFCS-UHFFFAOYSA-N 1 0 378.582 4.272 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CCC[C@@H]1c1cccc(F)c1 ZINC000056562020 823170261 /nfs/dbraw/zinc/17/02/61/823170261.db2.gz JFFYPEAQMBMXPF-JOCHJYFZSA-N 1 0 396.510 4.255 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(CC(=O)c2cc(C)n(Cc3cccs3)c2C)C1 ZINC000176278274 823170601 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20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccoc1C(F)(F)F ZINC000571367839 823172605 /nfs/dbraw/zinc/17/26/05/823172605.db2.gz ANGFFPLHXSAVES-INIZCTEOSA-N 1 0 380.410 4.283 20 0 GIADRO C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@H]1c2ccccc2CC12CCOCC2 ZINC000571369225 823172624 /nfs/dbraw/zinc/17/26/24/823172624.db2.gz WDUBRCAWNRQFQP-AOMKIAJQSA-N 1 0 382.479 4.227 20 0 GIADRO O=C(Nc1ccccc1O)C1CC[NH+](Cc2cccc(-c3ccncc3)c2)CC1 ZINC000121375804 823173216 /nfs/dbraw/zinc/17/32/16/823173216.db2.gz AOEACECFRJHJMS-UHFFFAOYSA-N 1 0 387.483 4.305 20 0 GIADRO Cc1occc1CN(C)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000056577946 823173916 /nfs/dbraw/zinc/17/39/16/823173916.db2.gz JAEQVWXXBMEPRX-UHFFFAOYSA-N 1 0 375.900 4.047 20 0 GIADRO CCO[C@@H](C)c1nc(CN2CC[NH+](C[C@@H]3C[C@H]3c3ccccc3)CC2)cs1 ZINC000459371367 823174726 /nfs/dbraw/zinc/17/47/26/823174726.db2.gz JOCQFRIIEVOGGU-CUWPLCDZSA-N 1 0 385.577 4.162 20 0 GIADRO Fc1ccccc1OCC[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459378608 823177609 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PNLJPLOEYLIJBR-FGTMMUONSA-N 1 0 387.524 4.025 20 0 GIADRO O=S(=O)(c1ccc(C[NH2+]Cc2ccc(C3CC3)cc2)cc1)N1CCCCC1 ZINC000459380117 823177906 /nfs/dbraw/zinc/17/79/06/823177906.db2.gz QDCIKAZEERANPI-UHFFFAOYSA-N 1 0 384.545 4.028 20 0 GIADRO c1c(CN2CC[C@@H](C[NH+]3CCCCC3)C2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459382829 823178888 /nfs/dbraw/zinc/17/88/88/823178888.db2.gz WJLDROBIJULISV-FQEVSTJZSA-N 1 0 393.579 4.368 20 0 GIADRO COc1cccc(Cl)c1C(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000571411230 823179088 /nfs/dbraw/zinc/17/90/88/823179088.db2.gz WDINWJWSKJOVCH-AWEZNQCLSA-N 1 0 381.303 4.077 20 0 GIADRO C[N@H+](Cc1ccc(Br)o1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000188080914 823183146 /nfs/dbraw/zinc/18/31/46/823183146.db2.gz SQBZPSSHKSJDQU-PBWFPOADSA-N 1 0 399.329 4.404 20 0 GIADRO COc1cc2c(cc1OC)[C@H]([NH2+]C[C@@H](c1ccc(SC)cc1)N(C)C)CC2 ZINC000571423873 823180738 /nfs/dbraw/zinc/18/07/38/823180738.db2.gz BQUSSFZSGOYLBM-UXHICEINSA-N 1 0 386.561 4.306 20 0 GIADRO C[C@H]([NH2+]C1CC(C)(c2ccccc2)C1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000459391275 823181118 /nfs/dbraw/zinc/18/11/18/823181118.db2.gz OLJNCQONFQDYHC-BDZVNLADSA-N 1 0 378.516 4.115 20 0 GIADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cn3cnc4ccccc43)cc2)[C@@H]1SC ZINC000459391385 823181404 /nfs/dbraw/zinc/18/14/04/823181404.db2.gz QYDFMMSANAKASF-FCEUIQTBSA-N 1 0 381.545 4.083 20 0 GIADRO COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]Cc2cc(=O)[nH]c(C3CC3)n2)cc1 ZINC000459394760 823182009 /nfs/dbraw/zinc/18/20/09/823182009.db2.gz OQDIVXFYTVYZKD-NRFANRHFSA-N 1 0 393.462 4.281 20 0 GIADRO Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000571432519 823181984 /nfs/dbraw/zinc/18/19/84/823181984.db2.gz MWFLXRPZYOSQNQ-GWCFXTLKSA-N 1 0 382.291 4.075 20 0 GIADRO O=c1cc(C[NH2+][C@H](Cc2cccc(F)c2)c2cccc(F)c2)nc(C2CC2)[nH]1 ZINC000459394619 823182098 /nfs/dbraw/zinc/18/20/98/823182098.db2.gz ODRDWUFWSJFVDD-HXUWFJFHSA-N 1 0 381.426 4.411 20 0 GIADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(NC(=O)c3ccc(F)cc3)cc2)[C@H]1SC ZINC000459395460 823182306 /nfs/dbraw/zinc/18/23/06/823182306.db2.gz HVPDDIAUKSNDCP-VAMGGRTRSA-N 1 0 388.508 4.077 20 0 GIADRO COCc1cccc(C[NH2+]Cc2cc(Br)ccc2OC(F)F)c1 ZINC000121426233 823182421 /nfs/dbraw/zinc/18/24/21/823182421.db2.gz GYYKHKISJUTXMY-UHFFFAOYSA-N 1 0 386.236 4.487 20 0 GIADRO CCC(CC)C(=O)N1CCC([NH2+]Cc2c(C)nc3scc(C4CC4)n23)CC1 ZINC000459395728 823182569 /nfs/dbraw/zinc/18/25/69/823182569.db2.gz UXKSYJMTIPLKDA-UHFFFAOYSA-N 1 0 388.581 4.098 20 0 GIADRO COc1cc(C[N@@H+]2CC[C@@H](COC(F)F)C2)ccc1OCc1cccs1 ZINC000571447604 823183830 /nfs/dbraw/zinc/18/38/30/823183830.db2.gz FVUHFYRVRFZWLS-OAHLLOKOSA-N 1 0 383.460 4.397 20 0 GIADRO C[C@H]1C[C@H](C(F)(F)F)CC[N@@H+]1CCC(=O)Nc1ccccc1Br ZINC000411811358 823607170 /nfs/dbraw/zinc/60/71/70/823607170.db2.gz XTYDEHCSHVSQDQ-NWDGAFQWSA-N 1 0 393.247 4.441 20 0 GIADRO COc1ccc(C[C@@H]([NH2+]Cc2cnc(C3CC3)nc2)c2ccccc2)cc1OC ZINC000459401141 823184563 /nfs/dbraw/zinc/18/45/63/823184563.db2.gz IHNKKTZETQTBOB-OAQYLSRUSA-N 1 0 389.499 4.445 20 0 GIADRO CN(C)C(=O)c1ccc(C[NH2+][C@@H](Cc2ccccc2C(F)(F)F)C(C)(C)C)[nH]1 ZINC000571452628 823184976 /nfs/dbraw/zinc/18/49/76/823184976.db2.gz SEWWPLVWTXXHBU-SFHVURJKSA-N 1 0 395.469 4.482 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CCc3ccc(-c4ccccc4)cc32)CC[N@@H+]1C ZINC000188091934 823185080 /nfs/dbraw/zinc/18/50/80/823185080.db2.gz DKQNZVHYBNPNFY-ODOSVJCGSA-N 1 0 377.532 4.465 20 0 GIADRO Cc1ccnc(-c2ccc(NC(=O)N(CC[NH+](C)C)Cc3ccsc3)cc2)n1 ZINC000459403913 823185140 /nfs/dbraw/zinc/18/51/40/823185140.db2.gz QDKYRFKXTMLKOL-UHFFFAOYSA-N 1 0 395.532 4.109 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(NCc2ccccc2N2CCO[C@H](C)C2)CC1 ZINC000459405278 823185395 /nfs/dbraw/zinc/18/53/95/823185395.db2.gz FEEUIMPAMMFZML-NHCUHLMSSA-N 1 0 393.575 4.227 20 0 GIADRO CSc1ccc([C@@H](C[NH2+][C@H](C)CC(=O)Nc2cccc(F)c2)N(C)C)cc1 ZINC000571458293 823185936 /nfs/dbraw/zinc/18/59/36/823185936.db2.gz UGDBWZUVTBGHES-FOIQADDNSA-N 1 0 389.540 4.157 20 0 GIADRO CCc1nc2n(n1)C[C@@H]([NH2+]C/C=C/c1ccc(OCc3ccccc3)cc1)CC2 ZINC000459406616 823186211 /nfs/dbraw/zinc/18/62/11/823186211.db2.gz USOGCTHCMGTMLF-JLXBBBJOSA-N 1 0 388.515 4.037 20 0 GIADRO C[NH+](C)CCN(Cc1cccs1)C(=O)N[C@H]1CCSc2ccccc21 ZINC000176347252 823188831 /nfs/dbraw/zinc/18/88/31/823188831.db2.gz QQTPRWCZVMSPLR-KRWDZBQOSA-N 1 0 375.563 4.058 20 0 GIADRO CC(C)c1cc(NC(=O)N2CCC[N@@H+](C(C)C)CC2)n(Cc2ccccc2)n1 ZINC000571462273 823186526 /nfs/dbraw/zinc/18/65/26/823186526.db2.gz NPZMLTQIATXLKW-UHFFFAOYSA-N 1 0 383.540 4.003 20 0 GIADRO CC(C)OCC[NH+]1CCC(NC(=O)N[C@H](C)c2cc3ccccc3s2)CC1 ZINC000176341052 823186998 /nfs/dbraw/zinc/18/69/98/823186998.db2.gz DJWGCNZJQGXRDV-MRXNPFEDSA-N 1 0 389.565 4.151 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459411729 823187080 /nfs/dbraw/zinc/18/70/80/823187080.db2.gz UOSHBGDNLZMDRL-NSHDSACASA-N 1 0 384.480 4.481 20 0 GIADRO Cn1c(COc2ccc(Cl)cc2)nnc1SCC[C@@H]1CCCC[N@@H+]1C ZINC000121450736 823187067 /nfs/dbraw/zinc/18/70/67/823187067.db2.gz LDWDEVRQRPAKLP-HNNXBMFYSA-N 1 0 380.945 4.014 20 0 GIADRO Cc1cccc(Oc2ncccc2NC(=O)NC2CC[NH+](C3CC3)CC2)c1C ZINC000056639613 823187751 /nfs/dbraw/zinc/18/77/51/823187751.db2.gz CKVBBUOIAJJAOZ-UHFFFAOYSA-N 1 0 380.492 4.239 20 0 GIADRO Cn1ccnc1-c1cccc(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000176344793 823188147 /nfs/dbraw/zinc/18/81/47/823188147.db2.gz ZXLCLBVDNRMYPG-UHFFFAOYSA-N 1 0 381.524 4.006 20 0 GIADRO CCOc1ccc(OC)cc1NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176347646 823189153 /nfs/dbraw/zinc/18/91/53/823189153.db2.gz HDYPNEZBMZZYGC-UHFFFAOYSA-N 1 0 375.513 4.013 20 0 GIADRO CCOc1cc(C[NH2+][C@@H](C)[C@@H]2COc3ccccc32)cc(Br)c1O ZINC000459428544 823190207 /nfs/dbraw/zinc/19/02/07/823190207.db2.gz BESVIRQYCYGGFJ-WFASDCNBSA-N 1 0 392.293 4.208 20 0 GIADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1cccc(NC(=O)c2ccccc2)c1 ZINC000056658470 823191550 /nfs/dbraw/zinc/19/15/50/823191550.db2.gz XEBYEZWREUNIHG-QZTJIDSGSA-N 1 0 394.519 4.181 20 0 GIADRO CCOc1ccc(-c2noc([C@H]3CCC[N@H+](Cc4cccnc4)C3)n2)cc1F ZINC000571496281 823192282 /nfs/dbraw/zinc/19/22/82/823192282.db2.gz YEAGLEMKPVWKDO-KRWDZBQOSA-N 1 0 382.439 4.049 20 0 GIADRO Oc1cccc(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)c1Br ZINC000459442461 823192547 /nfs/dbraw/zinc/19/25/47/823192547.db2.gz OWSOEMIAKJZZCD-PBHICJAKSA-N 1 0 376.294 4.412 20 0 GIADRO C[C@@H](CN1CCCC1=O)[NH2+][C@@H](C)c1ccc(Br)cc1C(F)(F)F ZINC000188140337 823192546 /nfs/dbraw/zinc/19/25/46/823192546.db2.gz UWHQHGHKCKTQCI-QWRGUYRKSA-N 1 0 393.247 4.129 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)NC2CCC(OC(C)C)CC2)c1 ZINC000121485689 823192806 /nfs/dbraw/zinc/19/28/06/823192806.db2.gz XZUSYSPMXBXLBA-UHFFFAOYSA-N 1 0 375.557 4.064 20 0 GIADRO CN(CC1(c2ccccc2)CC1)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000188149319 823193969 /nfs/dbraw/zinc/19/39/69/823193969.db2.gz AABXXVGQDKBKHP-LJQANCHMSA-N 1 0 397.588 4.333 20 0 GIADRO CC(C)[C@H]([NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1)c1cc2ccccc2o1 ZINC000571509558 823194028 /nfs/dbraw/zinc/19/40/28/823194028.db2.gz JBSQGNXIWOQAAM-NRFANRHFSA-N 1 0 386.517 4.170 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1C[NH2+]C[C@H](c1ccccc1)C(C)(C)CO ZINC000459456828 823195834 /nfs/dbraw/zinc/19/58/34/823195834.db2.gz XQMSWIQFUHLXRQ-GOSISDBHSA-N 1 0 383.561 4.474 20 0 GIADRO CC(=O)Nc1ccc(Cl)c(NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)c1 ZINC000056692184 823194437 /nfs/dbraw/zinc/19/44/37/823194437.db2.gz JHXQTDXAVUAWNH-CQSZACIVSA-N 1 0 380.920 4.075 20 0 GIADRO COc1ccc(-c2ccccc2C)cc1CNC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000459449613 823194620 /nfs/dbraw/zinc/19/46/20/823194620.db2.gz SYPMSPIREQUVPY-DNQXCXABSA-N 1 0 394.559 4.138 20 0 GIADRO CC(=O)Nc1ccc(Cl)c(NC(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)c1 ZINC000056692694 823194756 /nfs/dbraw/zinc/19/47/56/823194756.db2.gz IUNOHXRCPQDNHK-IBGZPJMESA-N 1 0 394.947 4.176 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+]CC(=O)Nc2c(C)cccc2C)[C@H]1Sc1ccccc1 ZINC000459458703 823196225 /nfs/dbraw/zinc/19/62/25/823196225.db2.gz FUWDRRFXJGKORB-NNMXDRDESA-N 1 0 384.545 4.170 20 0 GIADRO COc1cccc(Oc2ccc(NC(=O)NC3CC[NH+](C4CC4)CC3)cc2)c1 ZINC000056711087 823196905 /nfs/dbraw/zinc/19/69/05/823196905.db2.gz WNVRAYPYAWHSRS-UHFFFAOYSA-N 1 0 381.476 4.236 20 0 GIADRO C[C@H]1[N@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)CCC12CCOCC2 ZINC000459479595 823201114 /nfs/dbraw/zinc/20/11/14/823201114.db2.gz IRYAHAVYJSAHBD-GOSISDBHSA-N 1 0 380.536 4.451 20 0 GIADRO C[C@H]1C[C@H](CCNC(=O)Nc2ccc3c(c2)CCN3)C[N@@H+]1Cc1ccccc1 ZINC000571533633 823197109 /nfs/dbraw/zinc/19/71/09/823197109.db2.gz AJCFDCRZTZCQBX-HKUYNNGSSA-N 1 0 378.520 4.077 20 0 GIADRO CCN(C[C@@H]1CC[N@@H+]([C@@H](C)c2nnc(-c3ccccc3)o2)C1)CC(F)(F)F ZINC000176404226 823201050 /nfs/dbraw/zinc/20/10/50/823201050.db2.gz DPQKMSIPTRMWGX-GJZGRUSLSA-N 1 0 382.430 4.004 20 0 GIADRO O=C(c1ccncc1)N1CCC([NH2+][C@@H]2CCC[C@H]2c2ccccc2Cl)CC1 ZINC000459465021 823197940 /nfs/dbraw/zinc/19/79/40/823197940.db2.gz NBXWLLDSJHBTDS-PZJWPPBQSA-N 1 0 383.923 4.266 20 0 GIADRO FC(F)(F)c1ccc(-n2cc(NC3CCN(c4cc[nH+]cc4)CC3)cn2)cc1 ZINC000459466735 823198152 /nfs/dbraw/zinc/19/81/52/823198152.db2.gz QYSJXSXLBVDXBK-UHFFFAOYSA-N 1 0 387.409 4.367 20 0 GIADRO CC[NH+]1CCC(n2nccc2NCc2c(C)nc3scc(C4CC4)n23)CC1 ZINC000459472434 823199537 /nfs/dbraw/zinc/19/95/37/823199537.db2.gz WWUCXJCUDVNETN-UHFFFAOYSA-N 1 0 384.553 4.047 20 0 GIADRO O=C(c1ccncc1)N1CCC([NH2+][C@@H]2CCCC[C@@H](c3ccccc3)C2)CC1 ZINC000459474614 823199830 /nfs/dbraw/zinc/19/98/30/823199830.db2.gz YPYHGCBUSHWOMR-FYYLOGMGSA-N 1 0 377.532 4.392 20 0 GIADRO O=C(c1ccncc1)N1CCC([NH2+][C@H]2CCC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000459474134 823199870 /nfs/dbraw/zinc/19/98/70/823199870.db2.gz YOMNFQKHKNFKGO-SFTDATJTSA-N 1 0 383.923 4.266 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2nc(-c3cccs3)oc2C)C1)CC(F)(F)F ZINC000176400814 823200089 /nfs/dbraw/zinc/20/00/89/823200089.db2.gz RHDNAWPHMJHPEN-CQSZACIVSA-N 1 0 387.471 4.418 20 0 GIADRO CC(C)N1CC[C@@H]([NH2+]Cc2cnc(C3CC3)nc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000459474695 823200152 /nfs/dbraw/zinc/20/01/52/823200152.db2.gz VSIKUIAFXIGULE-UXHICEINSA-N 1 0 388.918 4.460 20 0 GIADRO CC(C)C[C@@H]([NH3+])c1noc(CCCCOc2ccc(Br)cc2)n1 ZINC000571559942 823200381 /nfs/dbraw/zinc/20/03/81/823200381.db2.gz AFFAGRLQMRKXMB-OAHLLOKOSA-N 1 0 382.302 4.280 20 0 GIADRO O=C(C[NH2+][C@@H](CC1CC1)c1cc(F)cc(Br)c1)Nc1nccs1 ZINC000188192679 823201402 /nfs/dbraw/zinc/20/14/02/823201402.db2.gz SCUBOCLVWCLEPI-AWEZNQCLSA-N 1 0 398.301 4.114 20 0 GIADRO C[C@H]([NH2+][C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1)c1nnc(-c2ccccc2)o1 ZINC000571572913 823202376 /nfs/dbraw/zinc/20/23/76/823202376.db2.gz KDQDCPZLCKEBEF-AGRHKRQWSA-N 1 0 384.430 4.111 20 0 GIADRO C[C@H]1CC[C@@H](c2nnc(N3CC[NH+](C(C)(C)CC(C)(C)C)CC3)n2C2CC2)O1 ZINC000571573915 823202738 /nfs/dbraw/zinc/20/27/38/823202738.db2.gz HVZRMJUWDBPEQL-WMZOPIPTSA-N 1 0 389.588 4.190 20 0 GIADRO Cc1cnc([C@H](C)NC(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)s1 ZINC000176412486 823202891 /nfs/dbraw/zinc/20/28/91/823202891.db2.gz HFFZWRSOMNZNIA-KRWDZBQOSA-N 1 0 386.565 4.244 20 0 GIADRO CN1CC[C@H]([NH2+]Cc2ncc(-c3ccccc3F)o2)[C@H]1c1ccc(F)c(F)c1 ZINC000571604526 823206933 /nfs/dbraw/zinc/20/69/33/823206933.db2.gz URLPVBGKEVADDU-GHTZIAJQSA-N 1 0 387.405 4.294 20 0 GIADRO COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000188211364 823204024 /nfs/dbraw/zinc/20/40/24/823204024.db2.gz RKMJNDFOOMGTIT-RBBKRZOGSA-N 1 0 394.515 4.432 20 0 GIADRO COc1ccnc(C[NH2+][C@H]2CCN(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000571583972 823204097 /nfs/dbraw/zinc/20/40/97/823204097.db2.gz IIAXIQOWIBUITF-VQTJNVASSA-N 1 0 377.891 4.196 20 0 GIADRO CS(=O)(=O)c1ccc(C[NH2+]CCc2cccc(Cl)c2)cc1C(F)(F)F ZINC000459503315 823206112 /nfs/dbraw/zinc/20/61/12/823206112.db2.gz FFYKSRYCVRPNAU-UHFFFAOYSA-N 1 0 391.842 4.095 20 0 GIADRO C[C@@H](O)C[C@H](C[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000121562102 823206176 /nfs/dbraw/zinc/20/61/76/823206176.db2.gz LIIHLULSYFRWET-WIYYLYMNSA-N 1 0 386.967 4.449 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CC(C)(C)[C@H]2[C@H]2CCCO2)cc1 ZINC000571609275 823208127 /nfs/dbraw/zinc/20/81/27/823208127.db2.gz PZYOYUQBOXHUBV-STZQEDGTSA-N 1 0 399.579 4.160 20 0 GIADRO C[C@@H]([NH2+]CCCO[C@@H]1CCOC1)c1ccc(Br)cc1C(F)(F)F ZINC000188243803 823208569 /nfs/dbraw/zinc/20/85/69/823208569.db2.gz UGVVSVWIJZHGFM-DGCLKSJQSA-N 1 0 396.247 4.314 20 0 GIADRO Cc1cnccc1NC(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000121574228 823208806 /nfs/dbraw/zinc/20/88/06/823208806.db2.gz LAZCNRMZFHNTJH-UHFFFAOYSA-N 1 0 380.414 4.005 20 0 GIADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1cc(-c2ccccc2Cl)n(-c2ccccc2)n1 ZINC000571634201 823212629 /nfs/dbraw/zinc/21/26/29/823212629.db2.gz WKYSHXBODWYUAK-JKSUJKDBSA-N 1 0 394.906 4.002 20 0 GIADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000571615177 823209352 /nfs/dbraw/zinc/20/93/52/823209352.db2.gz QPSZNHJUSWCOBR-SFHVURJKSA-N 1 0 395.503 4.196 20 0 GIADRO Cc1cccc(Oc2ccc(NC(=O)[C@H]([NH2+]C3CCOCC3)C(C)C)cn2)c1C ZINC000176451585 823210233 /nfs/dbraw/zinc/21/02/33/823210233.db2.gz AWAKRMXPKPLFNK-JOCHJYFZSA-N 1 0 397.519 4.222 20 0 GIADRO CCC[NH+]1CCN(c2ccc(NC(=O)N(C)Cc3ccoc3)cc2Cl)CC1 ZINC000056771924 823210725 /nfs/dbraw/zinc/21/07/25/823210725.db2.gz KPEQQXNWRYPEEP-UHFFFAOYSA-N 1 0 390.915 4.129 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000121584003 823211123 /nfs/dbraw/zinc/21/11/23/823211123.db2.gz GPNTWJWHUDDINF-RBUKOAKNSA-N 1 0 397.567 4.196 20 0 GIADRO CCOCc1ccc(CNC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)cc1 ZINC000121593167 823212738 /nfs/dbraw/zinc/21/27/38/823212738.db2.gz CKDQCWHKBNYPTG-UHFFFAOYSA-N 1 0 387.568 4.065 20 0 GIADRO O=C(C[C@@H](c1ncc[nH]1)c1ccccc1)N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000571635861 823212857 /nfs/dbraw/zinc/21/28/57/823212857.db2.gz VPVXFXBXWSKWGR-NSISKUIASA-N 1 0 381.426 4.272 20 0 GIADRO COc1ccc2c(c1)C1(CC1)CN(C(=O)C[C@H](c1ncc[nH]1)c1ccccc1)C2 ZINC000571635877 823212885 /nfs/dbraw/zinc/21/28/85/823212885.db2.gz WSTHWXYRSKVWFQ-FQEVSTJZSA-N 1 0 387.483 4.014 20 0 GIADRO C[C@H](Cc1ccc(Br)cc1)[NH2+]CC1(N2CCCCC2)CCOCC1 ZINC000188278790 823213258 /nfs/dbraw/zinc/21/32/58/823213258.db2.gz QUVHVSDNIBMXPO-QGZVFWFLSA-N 1 0 395.385 4.005 20 0 GIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2ccc(-c3nncs3)cc2)C1 ZINC000459548964 823217881 /nfs/dbraw/zinc/21/78/81/823217881.db2.gz ZOCINOQXCVWGIH-KXBFYZLASA-N 1 0 393.516 4.162 20 0 GIADRO CSCCCC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000121599607 823213758 /nfs/dbraw/zinc/21/37/58/823213758.db2.gz CHZJHUKQGOVSFZ-QAPCUYQASA-N 1 0 388.499 4.348 20 0 GIADRO CCC[C@@H]([NH2+][C@@H](C)c1cccc(CO)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000121602137 823214372 /nfs/dbraw/zinc/21/43/72/823214372.db2.gz YVUQOQDMJUFWTJ-FDDCHVKYSA-N 1 0 395.547 4.237 20 0 GIADRO COc1cc(OC)cc(Oc2cccc(C[NH2+]C3CCN(C4CC4)CC3)c2)c1 ZINC000459536065 823214408 /nfs/dbraw/zinc/21/44/08/823214408.db2.gz APSUUDGWAHKOMO-UHFFFAOYSA-N 1 0 382.504 4.213 20 0 GIADRO O[C@@H]1[C@@H](C[NH2+]Cc2c(OC(F)F)ccc3ccccc32)CCC12CCOCC2 ZINC000571659592 823215507 /nfs/dbraw/zinc/21/55/07/823215507.db2.gz ZRPMFGUQWKNXNV-OXQOHEQNSA-N 1 0 391.458 4.099 20 0 GIADRO O=C1CC[C@@H]([NH2+]C/C=C\c2ccc(OCc3ccccc3)cc2)C2(CCC2)N1 ZINC000459542738 823216234 /nfs/dbraw/zinc/21/62/34/823216234.db2.gz LWSSBULVFCCTBR-LJEORUCFSA-N 1 0 376.500 4.070 20 0 GIADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc(-c3nncs3)cc2)C1 ZINC000459543358 823216318 /nfs/dbraw/zinc/21/63/18/823216318.db2.gz LRMZBZKPUAZANU-HNNXBMFYSA-N 1 0 387.553 4.227 20 0 GIADRO O=C1CC[C@H]([NH2+]C/C=C\c2ccc(OCc3ccccc3)cc2)C2(CCC2)N1 ZINC000459542737 823216356 /nfs/dbraw/zinc/21/63/56/823216356.db2.gz LWSSBULVFCCTBR-FEBNOMPUSA-N 1 0 376.500 4.070 20 0 GIADRO COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)c1 ZINC000188306289 823217411 /nfs/dbraw/zinc/21/74/11/823217411.db2.gz TXCXRXULTBTDTF-RBBKRZOGSA-N 1 0 394.515 4.084 20 0 GIADRO CC(C)c1csc(NC(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000571690938 823219497 /nfs/dbraw/zinc/21/94/97/823219497.db2.gz PTJURCLIJFAWTD-QZTJIDSGSA-N 1 0 384.549 4.252 20 0 GIADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)N(Cc1ccccc1)C[C@H]1CCCO1 ZINC000176489702 823219545 /nfs/dbraw/zinc/21/95/45/823219545.db2.gz FNZLDAOYUJMTOU-HSZRJFAPSA-N 1 0 399.579 4.174 20 0 GIADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)N(Cc1ccco1)Cc1ccco1 ZINC000176490376 823219569 /nfs/dbraw/zinc/21/95/69/823219569.db2.gz VWGIDPWTDHEJPG-UHFFFAOYSA-N 1 0 385.508 4.382 20 0 GIADRO c1c(C[N@@H+]2CCOC[C@@H](C3CCC3)C2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459555032 823219633 /nfs/dbraw/zinc/21/96/33/823219633.db2.gz GVXAYXNPPHERHL-FQEVSTJZSA-N 1 0 380.536 4.309 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@H](c3cccnc3)C2)[C@H]1Sc1ccccc1 ZINC000459573523 823223039 /nfs/dbraw/zinc/22/30/39/823223039.db2.gz RCGFFVKWIFVTTD-GLOJMNGXSA-N 1 0 384.545 4.230 20 0 GIADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)N(CCc1cccc(F)c1)C1CC1 ZINC000176493463 823220378 /nfs/dbraw/zinc/22/03/78/823220378.db2.gz QXONHTWYYYSDFF-UHFFFAOYSA-N 1 0 387.543 4.339 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)c1 ZINC000121650185 823222442 /nfs/dbraw/zinc/22/24/42/823222442.db2.gz NWCBEVYSBQCEJN-QGZVFWFLSA-N 1 0 383.511 4.142 20 0 GIADRO CC1CC[NH+](C2CCC(NC(=O)Nc3ccc4c(c3)CCCC(=O)N4)CC2)CC1 ZINC000121649225 823222627 /nfs/dbraw/zinc/22/26/27/823222627.db2.gz CTWOEJDZPXLGAA-UHFFFAOYSA-N 1 0 398.551 4.126 20 0 GIADRO Cc1nc(COc2ccc(C[NH+]3CCN(c4cccc(O)c4)CC3)cc2)cs1 ZINC000121630113 823219185 /nfs/dbraw/zinc/21/91/85/823219185.db2.gz TYXCAWXJVBDUDS-UHFFFAOYSA-N 1 0 395.528 4.058 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)c2cccc(OC)c2OC(F)F)c1 ZINC000121653792 823223449 /nfs/dbraw/zinc/22/34/49/823223449.db2.gz RVMZBKJHQGYJJA-UHFFFAOYSA-N 1 0 392.446 4.068 20 0 GIADRO COc1cccc(OC)c1OCCCC[N@@H+]1CCO[C@@H](c2ccccc2C)C1 ZINC000571718424 823224090 /nfs/dbraw/zinc/22/40/90/823224090.db2.gz HBJNGZVOAIFUCH-JOCHJYFZSA-N 1 0 385.504 4.245 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccn(-c3cccc(Cl)c3)n2)C1 ZINC000409460476 823224255 /nfs/dbraw/zinc/22/42/55/823224255.db2.gz SXJZVLGIAURUNB-APWZRJJASA-N 1 0 394.906 4.091 20 0 GIADRO CC(C)C[C@H]([NH2+][C@H]1CC[C@@](C)(c2ccccc2)C1)c1nc(-c2nc[nH]n2)no1 ZINC000188371377 823228133 /nfs/dbraw/zinc/22/81/33/823228133.db2.gz TUZXAJDNSMSNJD-XGHQBKJUSA-N 1 0 380.496 4.042 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)CCCNC(=O)[C@H]3CC=CCC3)cc2)C1 ZINC000409461172 823224663 /nfs/dbraw/zinc/22/46/63/823224663.db2.gz NPODEJPOJWLLGC-CTNGQTDRSA-N 1 0 397.563 4.110 20 0 GIADRO C[NH+](C)CCC1CCN(C(=O)NCc2ccccc2OCc2ccccc2)CC1 ZINC000056888331 823228167 /nfs/dbraw/zinc/22/81/67/823228167.db2.gz PBHKLZNTKBHIKR-UHFFFAOYSA-N 1 0 395.547 4.139 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CCCNC(=O)[C@@H]2CC=CCC2)cc1 ZINC000409463166 823225410 /nfs/dbraw/zinc/22/54/10/823225410.db2.gz CZRQOXKMCOEXOE-PZJWPPBQSA-N 1 0 397.563 4.252 20 0 GIADRO CCOc1ccccc1Oc1ccccc1C(=O)N1CC[C@@H](C[N@H+](C)CC)C1 ZINC000176513386 823225929 /nfs/dbraw/zinc/22/59/29/823225929.db2.gz MPHKOZMRWOYHMS-SFHVURJKSA-N 1 0 382.504 4.291 20 0 GIADRO OCCC1C[NH+](Cc2cn(Cc3ccccc3Cl)nc2-c2ccccc2)C1 ZINC000459590688 823226302 /nfs/dbraw/zinc/22/63/02/823226302.db2.gz KDNCFGNYUZSDMO-UHFFFAOYSA-N 1 0 381.907 4.066 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccc(OCC2CC2)c(F)c1 ZINC000121673417 823227376 /nfs/dbraw/zinc/22/73/76/823227376.db2.gz ZNGCYNGPQCGWKE-LSDHHAIUSA-N 1 0 391.508 4.430 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc(OCC2CC2)c(F)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000121673092 823227560 /nfs/dbraw/zinc/22/75/60/823227560.db2.gz ZNGCYNGPQCGWKE-GJZGRUSLSA-N 1 0 391.508 4.430 20 0 GIADRO C[C@H](CCCc1cccnc1)[NH2+][C@@H](C)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000459630499 823232730 /nfs/dbraw/zinc/23/27/30/823232730.db2.gz AMTJHVUXJIWXGA-SJORKVTESA-N 1 0 396.560 4.039 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)C[C@](O)(c2ccc(C)o2)C(F)(F)F)cc1 ZINC000188377732 823229420 /nfs/dbraw/zinc/22/94/20/823229420.db2.gz TXUNBRYANRZKSX-IBGZPJMESA-N 1 0 398.425 4.209 20 0 GIADRO COc1ccc(C[N@@H+]2CCCN(C(=O)C/C=C/c3ccc(C)cc3)CC2)cc1 ZINC000176527779 823229778 /nfs/dbraw/zinc/22/97/78/823229778.db2.gz MLKBKTDVYCZUGL-HWKANZROSA-N 1 0 378.516 4.141 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)cc1 ZINC000188380664 823230083 /nfs/dbraw/zinc/23/00/83/823230083.db2.gz IFYHYZZAQHYFFA-UHFFFAOYSA-N 1 0 384.495 4.354 20 0 GIADRO Cc1cc(C)cc(OCc2noc(C[NH2+][C@@H](C)CCCc3cccnc3)n2)c1 ZINC000459630928 823232975 /nfs/dbraw/zinc/23/29/75/823232975.db2.gz BPOOBGGKXUCVDD-SFHVURJKSA-N 1 0 380.492 4.161 20 0 GIADRO COc1ccc2cc(CN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c3cncc(F)c3)ccc2c1 ZINC000459622691 823231252 /nfs/dbraw/zinc/23/12/52/823231252.db2.gz QICAAWSGEVZAOM-HOTGVXAUSA-N 1 0 395.478 4.080 20 0 GIADRO C[C@@H](CCCc1cccnc1)[NH2+]CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000459630521 823233025 /nfs/dbraw/zinc/23/30/25/823233025.db2.gz AOFYQAQLMCDSRN-HNNXBMFYSA-N 1 0 394.346 4.348 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)N[C@H]1CCSc2ccc(F)cc21)c1ccc(F)cc1 ZINC000056937465 823233031 /nfs/dbraw/zinc/23/30/31/823233031.db2.gz LDOBDHBKDDMVET-ROUUACIJSA-N 1 0 391.487 4.104 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)CCCc1cccnc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000459631807 823233118 /nfs/dbraw/zinc/23/31/18/823233118.db2.gz CBLDWAKWCHAUCX-LSDHHAIUSA-N 1 0 395.425 4.308 20 0 GIADRO CC[C@@H](NC(=O)NCc1ccccc1C[NH+]1CCCCC1)c1c(C)noc1C ZINC000121700761 823233132 /nfs/dbraw/zinc/23/31/32/823233132.db2.gz MUFBSEQNXPVWGD-HXUWFJFHSA-N 1 0 384.524 4.228 20 0 GIADRO CCN(C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)[C@H](C)c1cccc(OC)c1 ZINC000056935851 823232568 /nfs/dbraw/zinc/23/25/68/823232568.db2.gz LNHMOKYJSAEIBZ-IERDGZPVSA-N 1 0 387.499 4.230 20 0 GIADRO Cc1noc(C2C[NH+](Cc3ccc(-c4ccccc4Br)s3)C2)n1 ZINC000459604912 823228687 /nfs/dbraw/zinc/22/86/87/823228687.db2.gz KMJARNSGTWGKAP-UHFFFAOYSA-N 1 0 390.306 4.468 20 0 GIADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CC[C@H](C(F)(F)F)C3(CCC3)C2)C1 ZINC000571779068 823233324 /nfs/dbraw/zinc/23/33/24/823233324.db2.gz GEFUIYMAGJNSHB-IRXDYDNUSA-N 1 0 389.506 4.119 20 0 GIADRO C[C@H](CCCc1cccnc1)[NH2+]CC[S@](=O)c1cc(Cl)ccc1Cl ZINC000459645780 823237416 /nfs/dbraw/zinc/23/74/16/823237416.db2.gz RIRCRJZNNNWGOE-SHACYNPGSA-N 1 0 385.360 4.497 20 0 GIADRO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[NH2+][C@H](C)CCCc1cccnc1 ZINC000459635714 823234615 /nfs/dbraw/zinc/23/46/15/823234615.db2.gz GPPRPQYDTTZQNG-CVEARBPZSA-N 1 0 389.927 4.380 20 0 GIADRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C(C)(C)Cc2nc3ccccc3[nH]2)C1 ZINC000409498157 823234886 /nfs/dbraw/zinc/23/48/86/823234886.db2.gz DJPDJYCQZVVDQX-IRXDYDNUSA-N 1 0 384.568 4.004 20 0 GIADRO COCCC1(C)C[NH+](Cc2c(C)nn(-c3ccc(Br)cc3)c2C)C1 ZINC000459635896 823234897 /nfs/dbraw/zinc/23/48/97/823234897.db2.gz UUGABTMWIMGWDX-UHFFFAOYSA-N 1 0 392.341 4.110 20 0 GIADRO Cc1ccc(-c2noc(CCC[NH2+][C@H](C)c3nc4c(s3)CCC4)n2)cc1F ZINC000459639993 823235632 /nfs/dbraw/zinc/23/56/32/823235632.db2.gz WNGJVBMWCWKYNZ-CYBMUJFWSA-N 1 0 386.496 4.413 20 0 GIADRO Cn1cc(-c2ccc(C[N@@H+]3CC[C@@H](C(F)(F)F)C4(CCOCC4)C3)s2)cn1 ZINC000459642420 823236070 /nfs/dbraw/zinc/23/60/70/823236070.db2.gz BRLOEYHNVYAUBL-QGZVFWFLSA-N 1 0 399.482 4.330 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)CCCc1cccnc1 ZINC000459643271 823236323 /nfs/dbraw/zinc/23/63/23/823236323.db2.gz OBHQMDYXZSTUIT-LSDHHAIUSA-N 1 0 375.900 4.072 20 0 GIADRO O=C(CCc1ccc(Br)cc1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176557230 823236617 /nfs/dbraw/zinc/23/66/17/823236617.db2.gz OUCUXCDCKINAQH-UHFFFAOYSA-N 1 0 393.369 4.295 20 0 GIADRO COc1cc(C)c(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)cc1OC ZINC000459644246 823236769 /nfs/dbraw/zinc/23/67/69/823236769.db2.gz DIBNSPOHDDKVDZ-GOSISDBHSA-N 1 0 387.442 4.193 20 0 GIADRO CC[NH+]1CCC(N(C)C(=O)CSCc2ccc(Cl)cc2Cl)CC1 ZINC000056973987 823236870 /nfs/dbraw/zinc/23/68/70/823236870.db2.gz GIDUMFAXIZXOAK-UHFFFAOYSA-N 1 0 375.365 4.169 20 0 GIADRO COc1ccc(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)c(OC(F)F)c1 ZINC000188417926 823237976 /nfs/dbraw/zinc/23/79/76/823237976.db2.gz DWYPICCENHJGSJ-UHFFFAOYSA-N 1 0 396.478 4.025 20 0 GIADRO CC(C)OC(=O)c1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)cc1 ZINC000459658103 823242430 /nfs/dbraw/zinc/24/24/30/823242430.db2.gz IVSNDSYWFNDOLS-SFHVURJKSA-N 1 0 399.453 4.433 20 0 GIADRO C[C@@H](CCCc1cccnc1)[NH2+]CC(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000459650387 823238857 /nfs/dbraw/zinc/23/88/57/823238857.db2.gz XTNFVYAZILMRPU-OALUTQOASA-N 1 0 375.516 4.413 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)CCCc1cccnc1)C(=O)Nc1ccc(Br)cc1 ZINC000459649857 823238867 /nfs/dbraw/zinc/23/88/67/823238867.db2.gz WHTPZMWVYWNFIK-LSDHHAIUSA-N 1 0 390.325 4.172 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)Nc2ccccc2OC[C@@H]2CCCCO2)o1 ZINC000056998726 823239016 /nfs/dbraw/zinc/23/90/16/823239016.db2.gz SQQWXOUKHTZBIV-SFHVURJKSA-N 1 0 386.492 4.322 20 0 GIADRO CC[NH+]1CCC(CNC(=O)c2oc3ccccc3c2COc2ccccc2)CC1 ZINC000057001232 823239025 /nfs/dbraw/zinc/23/90/25/823239025.db2.gz ZYUQDQCBCNWJJQ-UHFFFAOYSA-N 1 0 392.499 4.474 20 0 GIADRO C[NH+](C)CCOc1ccc(-c2noc([C@H]3C[C@@H]3c3ccc(F)cc3F)n2)cc1 ZINC000571838268 823242557 /nfs/dbraw/zinc/24/25/57/823242557.db2.gz HXGGECVVHHXPKP-MSOLQXFVSA-N 1 0 385.414 4.226 20 0 GIADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)N(CCC(F)(F)F)CC1CC1 ZINC000176572458 823239679 /nfs/dbraw/zinc/23/96/79/823239679.db2.gz FUQNERAQZAOIST-UHFFFAOYSA-N 1 0 375.479 4.158 20 0 GIADRO FC(F)(F)[C@@H]1CC[N@H+](Cc2cnc([C@H]3CCCO3)s2)CC12CCOCC2 ZINC000459652848 823240120 /nfs/dbraw/zinc/24/01/20/823240120.db2.gz QXHVNCFVEPAJNR-HUUCEWRRSA-N 1 0 390.471 4.176 20 0 GIADRO CSc1ccc(OCC[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)cc1 ZINC000459653847 823240223 /nfs/dbraw/zinc/24/02/23/823240223.db2.gz DNZBYNOPNHSJJV-KRWDZBQOSA-N 1 0 389.483 4.468 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1ccc(OC)cc1OCC1CC1 ZINC000409521679 823240513 /nfs/dbraw/zinc/24/05/13/823240513.db2.gz PBZIVUJOUHWEIM-UHFFFAOYSA-N 1 0 396.531 4.208 20 0 GIADRO COc1cc2c(cc1F)[nH+]ccc2N(C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000409524986 823241169 /nfs/dbraw/zinc/24/11/69/823241169.db2.gz FIODVGPIYSJEDH-OAHLLOKOSA-N 1 0 381.451 4.038 20 0 GIADRO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)o1 ZINC000459655808 823241431 /nfs/dbraw/zinc/24/14/31/823241431.db2.gz VFDDVOOSRWTACI-MRXNPFEDSA-N 1 0 383.414 4.159 20 0 GIADRO O=C(N[C@H](C1CC1)C(F)(F)F)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000571835588 823242192 /nfs/dbraw/zinc/24/21/92/823242192.db2.gz BCFRJUJXIRDKFQ-UYAOXDASSA-N 1 0 395.469 4.025 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)C[C@H]2CCCc3cc(OC)ccc32)CC1 ZINC000057047398 823243271 /nfs/dbraw/zinc/24/32/71/823243271.db2.gz AQSLUXOCZAXQQE-OAQYLSRUSA-N 1 0 386.580 4.476 20 0 GIADRO C[C@H](Oc1ccc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)cc1)c1ccccc1 ZINC000409532256 823243299 /nfs/dbraw/zinc/24/32/99/823243299.db2.gz WKSSVLHHQMDGOU-CVDCTZTESA-N 1 0 396.531 4.009 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2c(C)onc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000188465569 823244823 /nfs/dbraw/zinc/24/48/23/823244823.db2.gz NRLBTUXEACUOHV-AWEZNQCLSA-N 1 0 395.425 4.083 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)c1cc2ccccc2s1 ZINC000188469618 823245706 /nfs/dbraw/zinc/24/57/06/823245706.db2.gz OLTMNUVKMGQJCX-HNNXBMFYSA-N 1 0 386.542 4.292 20 0 GIADRO CC1CC[NH+](C2CCC(NC(=O)Nc3cccc(Br)n3)CC2)CC1 ZINC000188480131 823247672 /nfs/dbraw/zinc/24/76/72/823247672.db2.gz WUCLZJSWMLJCNK-UHFFFAOYSA-N 1 0 395.345 4.009 20 0 GIADRO CCc1ccccc1CC(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000188473606 823246221 /nfs/dbraw/zinc/24/62/21/823246221.db2.gz HMTSMPJTXRLVTL-UHFFFAOYSA-N 1 0 379.548 4.208 20 0 GIADRO Cc1c(NC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)cccc1-c1ncco1 ZINC000571855849 823246605 /nfs/dbraw/zinc/24/66/05/823246605.db2.gz UIVZEWIQKPUZSD-LJQANCHMSA-N 1 0 390.487 4.436 20 0 GIADRO O=C(CC[N@@H+]1CC2(CCC2)[C@@H]2COC[C@H]21)Nc1ccccc1-c1ccccc1 ZINC000459670516 823246889 /nfs/dbraw/zinc/24/68/89/823246889.db2.gz JXWZSOSMZJGHRP-IFMALSPDSA-N 1 0 376.500 4.183 20 0 GIADRO O=C(CC[N@@H+]1CC2(CCC2)[C@H]2COC[C@H]21)Nc1ccccc1-c1ccccc1 ZINC000459670523 823246904 /nfs/dbraw/zinc/24/69/04/823246904.db2.gz JXWZSOSMZJGHRP-RBBKRZOGSA-N 1 0 376.500 4.183 20 0 GIADRO O=C(Nc1cccc(CSC2CCCCC2)c1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000571873094 823248397 /nfs/dbraw/zinc/24/83/97/823248397.db2.gz DJVBHFSKDVLDRI-GOSISDBHSA-N 1 0 399.564 4.021 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)Nc1cnn([C@H](C)C2CC2)c1 ZINC000188485431 823248881 /nfs/dbraw/zinc/24/88/81/823248881.db2.gz NBDSCLRCQBCYNN-MRXNPFEDSA-N 1 0 385.512 4.219 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)Nc2cc(OC)c(Cl)c(OC)c2)c1 ZINC000459682094 823249747 /nfs/dbraw/zinc/24/97/47/823249747.db2.gz RZNAWBXALORWMY-UHFFFAOYSA-N 1 0 391.899 4.131 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)Nc2cc(OC)c(Cl)c(OC)c2)CC1 ZINC000459681337 823249754 /nfs/dbraw/zinc/24/97/54/823249754.db2.gz RKISXTJQSVBFQF-UHFFFAOYSA-N 1 0 397.947 4.333 20 0 GIADRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cscc2C(F)(F)F)cc1 ZINC000571889792 823250032 /nfs/dbraw/zinc/25/00/32/823250032.db2.gz CBFWZMSSUILKRM-NSHDSACASA-N 1 0 377.453 4.411 20 0 GIADRO CCn1c2ccccc2n(CN2CC[NH+](CCc3cccs3)CC2)c1=S ZINC000057104444 823249992 /nfs/dbraw/zinc/24/99/92/823249992.db2.gz HEQNGXVGAUCLEY-UHFFFAOYSA-N 1 0 386.590 4.071 20 0 GIADRO CN(C(=O)Nc1ccc(Oc2nncc3ccccc32)c(Cl)c1)C1CC([NH3+])C1 ZINC000571890226 823250390 /nfs/dbraw/zinc/25/03/90/823250390.db2.gz BRWCTYGWTLIWCV-UHFFFAOYSA-N 1 0 397.866 4.029 20 0 GIADRO C[C@H]1C[C@H](NC(=O)C2(Cc3ccccc3F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000188494606 823250723 /nfs/dbraw/zinc/25/07/23/823250723.db2.gz WKCLDUPQLLJYTG-GHTZIAJQSA-N 1 0 380.507 4.318 20 0 GIADRO CC[N@H+](CCC1CCN(C(=O)Cc2cnccc2C(F)(F)F)CC1)CC1CC1 ZINC000571894562 823250757 /nfs/dbraw/zinc/25/07/57/823250757.db2.gz GTHCBWGWWAJWAS-UHFFFAOYSA-N 1 0 397.485 4.004 20 0 GIADRO c1cc(CN2CCOCC2)ccc1C[NH2+][C@@H]1CCCOc2cc3c(cc21)CCC3 ZINC000121790004 823252081 /nfs/dbraw/zinc/25/20/81/823252081.db2.gz YTVHTIKJJIXULY-XMMPIXPASA-N 1 0 392.543 4.011 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)Nc1cccc(Br)n1 ZINC000188503074 823252226 /nfs/dbraw/zinc/25/22/26/823252226.db2.gz VTZAFWPMNXPMNU-UHFFFAOYSA-N 1 0 391.313 4.006 20 0 GIADRO CCOc1cc(C[NH2+]CC(C)(C)N2CCCCC2)ccc1OCC(F)(F)F ZINC000409574113 823252323 /nfs/dbraw/zinc/25/23/23/823252323.db2.gz DPOGTQBBPOIOAR-UHFFFAOYSA-N 1 0 388.474 4.381 20 0 GIADRO O=C(CCCNC(=O)[C@H]1CC=CCC1)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000409573445 823252331 /nfs/dbraw/zinc/25/23/31/823252331.db2.gz ARNMTWGQOJSLTG-NRFANRHFSA-N 1 0 397.563 4.254 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000057141158 823254201 /nfs/dbraw/zinc/25/42/01/823254201.db2.gz NWRZYVAOVXSRSS-NRFANRHFSA-N 1 0 388.515 4.340 20 0 GIADRO C[C@@H]1CCN(C(=O)N2CCC([N@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)C1 ZINC000409583465 823254676 /nfs/dbraw/zinc/25/46/76/823254676.db2.gz ULGVJOBNBIKENX-OAHLLOKOSA-N 1 0 383.458 4.063 20 0 GIADRO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC1CCN(CC(F)(F)F)CC1)CC3 ZINC000188516194 823254847 /nfs/dbraw/zinc/25/48/47/823254847.db2.gz XIUJIVDAVZBIHF-INIZCTEOSA-N 1 0 379.470 4.198 20 0 GIADRO O=C1c2ccccc2C(=O)N1C1CCC([NH2+]C2CCC(C(F)F)CC2)CC1 ZINC000459711859 823255218 /nfs/dbraw/zinc/25/52/18/823255218.db2.gz MQENBRTWTZBUDO-UHFFFAOYSA-N 1 0 376.447 4.007 20 0 GIADRO CCc1nc(NC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)sc1C(C)(C)C ZINC000459715154 823255404 /nfs/dbraw/zinc/25/54/04/823255404.db2.gz VPQURYLOUTUVCX-HNNXBMFYSA-N 1 0 378.586 4.199 20 0 GIADRO C[C@@H]([NH2+]CC1CCN(CC(F)(F)F)CC1)c1ccc(F)cc1OC(F)F ZINC000188521800 823255750 /nfs/dbraw/zinc/25/57/50/823255750.db2.gz CQJOPJDEXSAMBQ-LLVKDONJSA-N 1 0 384.364 4.352 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)C[C@H](C)n1ccnc1)c1ccc(C(F)(F)F)cc1 ZINC000571928132 823255800 /nfs/dbraw/zinc/25/58/00/823255800.db2.gz BYLXVZMECWAXNJ-MAUKXSAKSA-N 1 0 396.457 4.052 20 0 GIADRO COc1cccc([C@H]2CCCN2C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000057153382 823255801 /nfs/dbraw/zinc/25/58/01/823255801.db2.gz XINVQYRHXDSZOK-JTHBVZDNSA-N 1 0 378.516 4.271 20 0 GIADRO Cc1c(C[NH2+]CC2(Cc3cccc(Cl)c3)CC2)c(=O)n(-c2ccccc2)n1C ZINC000459716682 823255901 /nfs/dbraw/zinc/25/59/01/823255901.db2.gz QIVMOWGHXPWNKM-UHFFFAOYSA-N 1 0 395.934 4.250 20 0 GIADRO CC(=O)Nc1cccc(C(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c1C ZINC000188523507 823256061 /nfs/dbraw/zinc/25/60/61/823256061.db2.gz GSAGSHJDGJPVMP-QGZVFWFLSA-N 1 0 385.552 4.070 20 0 GIADRO CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000571929682 823256094 /nfs/dbraw/zinc/25/60/94/823256094.db2.gz MGRSXAQLHRCVIC-XXBNENTESA-N 1 0 396.556 4.054 20 0 GIADRO C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]C1CCC(C(F)F)CC1 ZINC000459718562 823256255 /nfs/dbraw/zinc/25/62/55/823256255.db2.gz VHCZHWXDLUVHFB-HLIUYOAVSA-N 1 0 393.478 4.166 20 0 GIADRO OCC1([NH2+]Cc2ccc(-c3cccc(Br)c3)o2)CCSCC1 ZINC000459721904 823256443 /nfs/dbraw/zinc/25/64/43/823256443.db2.gz HUECNWRWQCFYLL-UHFFFAOYSA-N 1 0 382.323 4.057 20 0 GIADRO CC[NH+](CC)CCC[C@H](C)NC(=O)CSc1ncnc2sc(C)c(C)c21 ZINC000057156689 823256695 /nfs/dbraw/zinc/25/66/95/823256695.db2.gz UOFUPNXZTOULRW-ZDUSSCGKSA-N 1 0 394.610 4.027 20 0 GIADRO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)CCc2ccc(F)cc2F)cc1 ZINC000571936401 823257179 /nfs/dbraw/zinc/25/71/79/823257179.db2.gz YVKLHNOOZFTRRU-JKSUJKDBSA-N 1 0 381.488 4.046 20 0 GIADRO O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000057175100 823259219 /nfs/dbraw/zinc/25/92/19/823259219.db2.gz WQKPSXYVABIIBT-HSZRJFAPSA-N 1 0 394.515 4.095 20 0 GIADRO COc1ccc(NC(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc1SC ZINC000459746488 823259447 /nfs/dbraw/zinc/25/94/47/823259447.db2.gz CAVFCFYMRABUPM-CRAIPNDOSA-N 1 0 385.533 4.202 20 0 GIADRO C[C@@H]([NH2+]Cc1c(F)cccc1-n1cccn1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000571972439 823263140 /nfs/dbraw/zinc/26/31/40/823263140.db2.gz BNDDQYPGFDKZGC-CQSZACIVSA-N 1 0 378.451 4.092 20 0 GIADRO CO[C@H]1C[C@H]([NH2+]CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)C12CCC2 ZINC000459774773 823263155 /nfs/dbraw/zinc/26/31/55/823263155.db2.gz UHEFNFPWBJQRFZ-STQMWFEESA-N 1 0 377.699 4.133 20 0 GIADRO CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@H]2c2cncc(Br)c2)CS1 ZINC000459750924 823260383 /nfs/dbraw/zinc/26/03/83/823260383.db2.gz AXUWSLXZGWNLGD-FZKCQIBNSA-N 1 0 385.371 4.184 20 0 GIADRO C[C@H](C[NH2+][C@@H]1CCO[C@H]1c1cncc(Br)c1)c1ccc(F)cc1 ZINC000459756623 823260939 /nfs/dbraw/zinc/26/09/39/823260939.db2.gz GNOALSQVRZBPQP-PJSAGSTRSA-N 1 0 379.273 4.207 20 0 GIADRO Fc1ccc(Cl)cc1C[NH2+][C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000459755854 823260995 /nfs/dbraw/zinc/26/09/95/823260995.db2.gz GEYAJCNYCJMTJA-CVEARBPZSA-N 1 0 385.664 4.256 20 0 GIADRO C[C@@H]1[C@H]([NH2+][C@@H]2CCO[C@H]2c2cncc(Br)c2)C[C@@H]1c1ccccc1 ZINC000459757911 823261273 /nfs/dbraw/zinc/26/12/73/823261273.db2.gz IAGGFRROLXBEHD-GYZWRVLVSA-N 1 0 387.321 4.456 20 0 GIADRO Cn1cc(CC[NH2+]C2CCN(Cc3ccccn3)CC2)c2ccc(Cl)cc21 ZINC000188558989 823261856 /nfs/dbraw/zinc/26/18/56/823261856.db2.gz MRAZKAVOWJVPDS-UHFFFAOYSA-N 1 0 382.939 4.023 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)c2ccc(OC3CCC3)cc2Cl)cc1F ZINC000121851827 823262979 /nfs/dbraw/zinc/26/29/79/823262979.db2.gz OVJXBZZZRZMCME-UHFFFAOYSA-N 1 0 390.886 4.402 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)C1(c2cccc(F)c2)CCOCC1)c1ccccc1 ZINC000057196579 823263494 /nfs/dbraw/zinc/26/34/94/823263494.db2.gz RHXCZUUNGVYGDB-QFIPXVFZSA-N 1 0 398.522 4.073 20 0 GIADRO CO[C@@H]1C[C@H]([NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C12CCC2 ZINC000459778482 823263827 /nfs/dbraw/zinc/26/38/27/823263827.db2.gz KZIASHJMPNYDSP-FCHUYYIVSA-N 1 0 388.515 4.041 20 0 GIADRO C[NH+](C)CCCC1CCN(C(=O)C2(c3ccccc3Br)CC2)CC1 ZINC000188573193 823263940 /nfs/dbraw/zinc/26/39/40/823263940.db2.gz CIAGTXSPGABVAG-UHFFFAOYSA-N 1 0 393.369 4.061 20 0 GIADRO Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+]C3CCC(c4ccc(O)cc4)CC3)n2)c1 ZINC000571975388 823264092 /nfs/dbraw/zinc/26/40/92/823264092.db2.gz GDCGYUNFGIPLHL-HJOIGYKYSA-N 1 0 377.492 4.258 20 0 GIADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N(Cc1ccco1)Cc1cccs1 ZINC000057205419 823264097 /nfs/dbraw/zinc/26/40/97/823264097.db2.gz GPOOCTICYIQMTJ-LJQANCHMSA-N 1 0 397.544 4.226 20 0 GIADRO CCCC[NH+]1CCC(NC(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)CC1 ZINC000176673844 823264125 /nfs/dbraw/zinc/26/41/25/823264125.db2.gz QEHIDPUJGIGJOX-UHFFFAOYSA-N 1 0 383.496 4.000 20 0 GIADRO O=C(Nc1cccc(-c2noc(C3CC3)n2)c1)NC1CC[NH+](C2CCCC2)CC1 ZINC000176673750 823264276 /nfs/dbraw/zinc/26/42/76/823264276.db2.gz RIROJYFHJURENE-UHFFFAOYSA-N 1 0 395.507 4.143 20 0 GIADRO COc1ccccc1CSc1ccccc1NC(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000571982208 823265017 /nfs/dbraw/zinc/26/50/17/823265017.db2.gz XJWVIUBEEAMABK-AEFFLSMTSA-N 1 0 397.544 4.061 20 0 GIADRO CC1CC[NH+](CCNC(=O)[C@@H]2CC=CC[C@H]2c2nc3ccccc3s2)CC1 ZINC000057213366 823265103 /nfs/dbraw/zinc/26/51/03/823265103.db2.gz LIXBESAMSHECQL-QZTJIDSGSA-N 1 0 383.561 4.194 20 0 GIADRO COC[C@@]1(C[NH2+]Cc2cc(C)c(Br)s2)OCCc2ccccc21 ZINC000571988875 823266264 /nfs/dbraw/zinc/26/62/64/823266264.db2.gz HRPSGDHXCGKAHU-GOSISDBHSA-N 1 0 396.350 4.023 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCCC(F)(F)C1 ZINC000409629125 823266397 /nfs/dbraw/zinc/26/63/97/823266397.db2.gz GUTUPKCEDFBEAO-WOJBJXKFSA-N 1 0 393.522 4.366 20 0 GIADRO O=C(NC[C@H]1CCCC(F)(F)C1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000409630179 823266770 /nfs/dbraw/zinc/26/67/70/823266770.db2.gz DKVNJRFUQYHMOY-FQEVSTJZSA-N 1 0 393.522 4.162 20 0 GIADRO Cc1oc(NC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nc1C1CC1 ZINC000571994590 823267058 /nfs/dbraw/zinc/26/70/58/823267058.db2.gz HKWKWUHZYCWNNX-KXBFYZLASA-N 1 0 382.508 4.377 20 0 GIADRO CC(C)c1csc(CNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)n1 ZINC000121880136 823269239 /nfs/dbraw/zinc/26/92/39/823269239.db2.gz BGKLUWDVKWDKHJ-UHFFFAOYSA-N 1 0 386.565 4.073 20 0 GIADRO CC(C)OCC[NH+]1CCC(NC(=O)c2ccc(-c3ccccc3Cl)o2)CC1 ZINC000176685658 823267734 /nfs/dbraw/zinc/26/77/34/823267734.db2.gz VOQTZRMKPOYQGP-UHFFFAOYSA-N 1 0 390.911 4.219 20 0 GIADRO C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc(NC(=O)Nc2cccc3c2CCCC3)c1 ZINC000572001363 823267970 /nfs/dbraw/zinc/26/79/70/823267970.db2.gz QDVBJVJOXJMYJI-DNVCBOLYSA-N 1 0 392.503 4.146 20 0 GIADRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(NC(=O)Nc2cccc3c2CCCC3)c1 ZINC000572001365 823268021 /nfs/dbraw/zinc/26/80/21/823268021.db2.gz QDVBJVJOXJMYJI-KXBFYZLASA-N 1 0 392.503 4.146 20 0 GIADRO CN(C)[C@@H](C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1cccc(Cl)c1 ZINC000409634659 823268208 /nfs/dbraw/zinc/26/82/08/823268208.db2.gz DMOUVJBYBGJHJS-JOCHJYFZSA-N 1 0 399.966 4.245 20 0 GIADRO CC(C)OCC[NH+]1CCC(NC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2Cl)CC1 ZINC000176698428 823270476 /nfs/dbraw/zinc/27/04/76/823270476.db2.gz XZSWYTJEXNNUJZ-SJORKVTESA-N 1 0 399.362 4.103 20 0 GIADRO CC1CC[NH+](Cc2ccc(NC(=O)c3cccc4c3CC(=O)CC4)cc2)CC1 ZINC000572051789 823274569 /nfs/dbraw/zinc/27/45/69/823274569.db2.gz QFNDIAITZSANRJ-UHFFFAOYSA-N 1 0 376.500 4.229 20 0 GIADRO COc1cc(NC(=O)CC[NH2+][C@@H]2CCC[C@H](C3CC3)C2)c(OC)cc1Cl ZINC000572029033 823271329 /nfs/dbraw/zinc/27/13/29/823271329.db2.gz NVIGQOZFAXHHRP-LSDHHAIUSA-N 1 0 380.916 4.244 20 0 GIADRO O=C(N[C@@H](c1cccc(F)c1)c1ccccn1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000121896704 823272126 /nfs/dbraw/zinc/27/21/26/823272126.db2.gz KZEGQRWARNFDDB-GCJKJVERSA-N 1 0 381.495 4.081 20 0 GIADRO OC[C@H](C[NH2+][C@@H]1CCCNc2ccccc21)Cc1ccc(Br)cc1 ZINC000572047305 823273636 /nfs/dbraw/zinc/27/36/36/823273636.db2.gz ANDNDFBBGHYCEB-OXJNMPFZSA-N 1 0 389.337 4.137 20 0 GIADRO CCC(=O)N1CC[C@H]([NH2+][C@H](Cc2ccc(Cl)cc2)Cc2ccc(CC)cn2)C1 ZINC000572046424 823273660 /nfs/dbraw/zinc/27/36/60/823273660.db2.gz DTVILTWCFIVXDH-FCHUYYIVSA-N 1 0 399.966 4.052 20 0 GIADRO O=C(CC1CC(c2ccccc2)C1)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000409650223 823274044 /nfs/dbraw/zinc/27/40/44/823274044.db2.gz BTVPZZRCJNPQOK-ZLHNRXBCSA-N 1 0 376.544 4.251 20 0 GIADRO CCCN(C(=O)CCc1nnc(C(C)C)o1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000176711037 823274377 /nfs/dbraw/zinc/27/43/77/823274377.db2.gz VZVRMRZAGBZSMB-FQEVSTJZSA-N 1 0 398.551 4.029 20 0 GIADRO Cc1c(NC(=O)NCC(C)(C)[NH+]2CCCCC2)cnn1-c1ccc(Cl)cc1 ZINC000572076970 823278720 /nfs/dbraw/zinc/27/87/20/823278720.db2.gz QGMPVISDPAJIAC-UHFFFAOYSA-N 1 0 389.931 4.220 20 0 GIADRO O=C(Nc1cccc(NCc2ccc(OCC[NH+]3CCCC3)cc2)c1)C1CC1 ZINC000121933004 823279475 /nfs/dbraw/zinc/27/94/75/823279475.db2.gz VLRMGHHUVOEIOY-UHFFFAOYSA-N 1 0 379.504 4.122 20 0 GIADRO CCOc1ccc(CN(C)C(=O)C[NH2+][C@@H](C)c2ccc(C(F)(F)F)cc2)cc1 ZINC000572081014 823279722 /nfs/dbraw/zinc/27/97/22/823279722.db2.gz DSVZNAYEOMKCMB-HNNXBMFYSA-N 1 0 394.437 4.413 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cncn2)cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000121912035 823275698 /nfs/dbraw/zinc/27/56/98/823275698.db2.gz FDXVFQWTOQTINY-CVEARBPZSA-N 1 0 375.476 4.028 20 0 GIADRO CN(Cc1cccc(O)c1)C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000057286081 823275778 /nfs/dbraw/zinc/27/57/78/823275778.db2.gz RKRSJHVRSIGWQY-UHFFFAOYSA-N 1 0 395.547 4.498 20 0 GIADRO CCn1c(-c2ccccc2F)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000572062568 823276531 /nfs/dbraw/zinc/27/65/31/823276531.db2.gz RDVKZDVCBCGHCP-GOSISDBHSA-N 1 0 385.531 4.052 20 0 GIADRO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2cnc(Cl)c(Cl)c2)CC1 ZINC000006123988 817658715 /nfs/dbraw/zinc/65/87/15/817658715.db2.gz SIMYDUGZKVZYFA-UHFFFAOYSA-N 1 0 399.709 4.046 20 0 GIADRO C[C@H](NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1)c1ccc(Br)cn1 ZINC000572066084 823277032 /nfs/dbraw/zinc/27/70/32/823277032.db2.gz CLZZMYODQKPDFA-MGPUTAFESA-N 1 0 388.353 4.405 20 0 GIADRO COc1ccc([C@H](CNC(=S)Nc2cccc(C)c2C)[NH+]2CCCC2)cc1 ZINC000006336003 817678408 /nfs/dbraw/zinc/67/84/08/817678408.db2.gz ZXDLJAGXRKKRPL-NRFANRHFSA-N 1 0 383.561 4.436 20 0 GIADRO CC(C)c1cc(C(=O)N2C[C@@H]3CCC[N@@H+]3Cc3ccccc32)nn1C(C)(C)C ZINC000460027237 823280741 /nfs/dbraw/zinc/28/07/41/823280741.db2.gz PJDVDDWRWHJGDK-SFHVURJKSA-N 1 0 380.536 4.386 20 0 GIADRO CC(=O)CCc1ccc2oc(C(=O)N[C@@H](CCC[NH3+])c3ccccc3)c(C)c2c1 ZINC000572112800 823285352 /nfs/dbraw/zinc/28/53/52/823285352.db2.gz BXIZRXXZWIKHMM-NRFANRHFSA-N 1 0 392.499 4.473 20 0 GIADRO O=C(c1cnn(C2CCCC2)c1-c1ccccc1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000572113082 823285406 /nfs/dbraw/zinc/28/54/06/823285406.db2.gz KUVAFXGNCBTVRZ-UHFFFAOYSA-N 1 0 392.547 4.271 20 0 GIADRO O=C(CCCC1CCOCC1)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000409680203 823281350 /nfs/dbraw/zinc/28/13/50/823281350.db2.gz VHFWCZPTJPRLGF-NRFANRHFSA-N 1 0 392.971 4.408 20 0 GIADRO CC1(C)CC(NC(=O)Cc2csc(-c3ccc(Cl)s3)n2)CC(C)(C)[NH2+]1 ZINC000057380343 823285520 /nfs/dbraw/zinc/28/55/20/823285520.db2.gz PQSGYLVVWSTFFI-UHFFFAOYSA-N 1 0 397.997 4.493 20 0 GIADRO C[NH+](C)CCOc1ccc(CNC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000409683741 823282621 /nfs/dbraw/zinc/28/26/21/823282621.db2.gz DDIMXWYZALMXPA-UHFFFAOYSA-N 1 0 382.291 4.256 20 0 GIADRO Cc1cc(C)n(-c2ccc(C[NH2+][C@@H]3CCCOc4cc5c(cc43)CCC5)cn2)n1 ZINC000121950923 823283744 /nfs/dbraw/zinc/28/37/44/823283744.db2.gz VERVRUPIODKSSR-JOCHJYFZSA-N 1 0 388.515 4.376 20 0 GIADRO [NH3+]C[C@H](NC(=O)N[C@H](c1ccccc1)[C@H]1CCCO1)c1ccc2ccccc2c1 ZINC000572103257 823283952 /nfs/dbraw/zinc/28/39/52/823283952.db2.gz RJLZWFYMAUYLSM-YTFSRNRJSA-N 1 0 389.499 4.059 20 0 GIADRO [NH3+]C[C@H](NC(=O)N[C@@H](c1ccccc1)[C@@H]1CCCO1)c1ccc2ccccc2c1 ZINC000572103256 823283968 /nfs/dbraw/zinc/28/39/68/823283968.db2.gz RJLZWFYMAUYLSM-VABKMULXSA-N 1 0 389.499 4.059 20 0 GIADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000460106486 823285817 /nfs/dbraw/zinc/28/58/17/823285817.db2.gz HDOZDJDXBHCYGW-JJTUDDRGSA-N 1 0 377.495 4.115 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(C(=O)N(C)C)[nH]1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000176751730 823284367 /nfs/dbraw/zinc/28/43/67/823284367.db2.gz AZYWWNJZLKOJIR-MRXNPFEDSA-N 1 0 395.478 4.285 20 0 GIADRO C[NH+](C)Cc1ccccc1CNC(=O)c1cccc(NC(=O)OC(C)(C)C)c1 ZINC000007065736 817751361 /nfs/dbraw/zinc/75/13/61/817751361.db2.gz FNLDZWIBAYUBKP-UHFFFAOYSA-N 1 0 383.492 4.025 20 0 GIADRO C[C@@H]1CCC[C@](CNC(=O)N(C)[C@H]2CC[C@@H](C(F)(F)F)CC2)([NH+](C)C)C1 ZINC000460108062 823286120 /nfs/dbraw/zinc/28/61/20/823286120.db2.gz FMXWCCOBDPTDCP-CBZIJGRNSA-N 1 0 377.495 4.259 20 0 GIADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=S)NC2CCCCC2)CC1 ZINC000007101875 817759301 /nfs/dbraw/zinc/75/93/01/817759301.db2.gz MAXTZUMNTOOAJG-UHFFFAOYSA-N 1 0 380.989 4.101 20 0 GIADRO COc1ccc(C[C@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000121968463 823286397 /nfs/dbraw/zinc/28/63/97/823286397.db2.gz KZWMVISRUTZIGF-CNNODRBYSA-N 1 0 380.532 4.043 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)CC(=O)N(C)[C@H](C)c3ccccc3)C2)s1 ZINC000572124692 823286569 /nfs/dbraw/zinc/28/65/69/823286569.db2.gz ASYMGJPCCGXXDV-UXHICEINSA-N 1 0 399.604 4.030 20 0 GIADRO O=C(c1csc(-c2ccc(Cl)s2)n1)N1CC[NH+](C2CCCC2)CC1 ZINC000057386145 823286905 /nfs/dbraw/zinc/28/69/05/823286905.db2.gz TVLLLTHQOFXKNK-UHFFFAOYSA-N 1 0 381.954 4.225 20 0 GIADRO CCC[N@@H+]1Cc2cccc(N[C@@H]3CCCN(Cc4ccc(F)cc4F)C3=O)c2C1 ZINC000188693454 823286984 /nfs/dbraw/zinc/28/69/84/823286984.db2.gz METCZBUWTPXYSW-JOCHJYFZSA-N 1 0 399.485 4.294 20 0 GIADRO Cc1cc(C)c(NC(=O)N2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(C)c1 ZINC000176766509 823287483 /nfs/dbraw/zinc/28/74/83/823287483.db2.gz YDMCPQLLGFRWAI-BGYRXZFFSA-N 1 0 387.568 4.355 20 0 GIADRO O=C(c1ccc(CSc2ccccc2)cc1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000572155282 823291411 /nfs/dbraw/zinc/29/14/11/823291411.db2.gz DAVGKGQGRAYZNY-SFTDATJTSA-N 1 0 380.557 4.441 20 0 GIADRO CCN1CCC([NH+]2CCC(C(=O)N[C@H]3CCC[C@@H](c4ccccc4)C3)CC2)CC1 ZINC000572132877 823288121 /nfs/dbraw/zinc/28/81/21/823288121.db2.gz QEPRDDVSIVUXPB-PKTZIBPZSA-N 1 0 397.607 4.025 20 0 GIADRO Cc1ccc2c(CC[NH2+][C@@H](C)c3cccc(N4CCOC4=O)c3)cn(C)c2c1 ZINC000188699049 823288388 /nfs/dbraw/zinc/28/83/88/823288388.db2.gz NIVIMFRSYQMECK-KRWDZBQOSA-N 1 0 377.488 4.337 20 0 GIADRO COc1cc(C[NH2+][C@@H]2CCCOc3c(C(C)C)cccc32)ccc1OCCO ZINC000121986759 823289166 /nfs/dbraw/zinc/28/91/66/823289166.db2.gz ZHMUEUNHNAOXFU-HXUWFJFHSA-N 1 0 385.504 4.193 20 0 GIADRO Cn1cc(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c2ccccc21 ZINC000007257751 817805537 /nfs/dbraw/zinc/80/55/37/817805537.db2.gz HAFHFPLKMONFIZ-UHFFFAOYSA-N 1 0 381.907 4.226 20 0 GIADRO CCOc1ccc(NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000572142704 823289527 /nfs/dbraw/zinc/28/95/27/823289527.db2.gz GNDZUEADWFOYIB-UXHICEINSA-N 1 0 379.504 4.071 20 0 GIADRO CCN(C(=O)Nc1ccc(-n2cccn2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000460130451 823290784 /nfs/dbraw/zinc/29/07/84/823290784.db2.gz LXLNXHMYXDADIK-JOCHJYFZSA-N 1 0 389.503 4.001 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(OCc3ccccc3)cc2)C1 ZINC000176760083 823286101 /nfs/dbraw/zinc/28/61/01/823286101.db2.gz NSADUCKXAGJKBH-FQEVSTJZSA-N 1 0 381.520 4.461 20 0 GIADRO C[C@H]1CCCC[C@@H]1NC(=S)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000007402989 817831510 /nfs/dbraw/zinc/83/15/10/817831510.db2.gz HRMIECWPUPSRGR-KXBFYZLASA-N 1 0 380.001 4.347 20 0 GIADRO O=C(Cc1c(Cl)cccc1Cl)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000007406370 817832463 /nfs/dbraw/zinc/83/24/63/817832463.db2.gz RSQGBSWKDYHWBT-QGZVFWFLSA-N 1 0 381.303 4.472 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)COc1ccccc1Cc1ccccc1)c1cccs1 ZINC000007408849 817833887 /nfs/dbraw/zinc/83/38/87/817833887.db2.gz KHYFWIUPAFIOQT-FQEVSTJZSA-N 1 0 394.540 4.137 20 0 GIADRO C[C@@H]([NH2+]CCc1ccccc1OC(F)F)c1ccc(NC(=O)NC2CC2)cc1 ZINC000188718324 823292157 /nfs/dbraw/zinc/29/21/57/823292157.db2.gz BFBLUSSEAZZMIV-CQSZACIVSA-N 1 0 389.446 4.465 20 0 GIADRO CSc1ccccc1NC(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000176786213 823292225 /nfs/dbraw/zinc/29/22/25/823292225.db2.gz IIUBSGSBDPETIG-IAGOWNOFSA-N 1 0 391.581 4.152 20 0 GIADRO COc1ccc(C2=NN(C(=O)C[NH+]3CCCCCCC3)[C@H](c3ccco3)C2)cc1 ZINC000007486722 817852698 /nfs/dbraw/zinc/85/26/98/817852698.db2.gz SYADWIDVGRTKKQ-NRFANRHFSA-N 1 0 395.503 4.232 20 0 GIADRO Cc1cc(C)cc(OCC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000007492114 817854206 /nfs/dbraw/zinc/85/42/06/817854206.db2.gz OIESNJPQCCTOMJ-UHFFFAOYSA-N 1 0 386.923 4.116 20 0 GIADRO Cc1cc([C@H](C)NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c(C)o1 ZINC000460140206 823294396 /nfs/dbraw/zinc/29/43/96/823294396.db2.gz AFTDDFHJWSMALK-DZFGPLHGSA-N 1 0 381.520 4.121 20 0 GIADRO C[NH+](C)[C@H](CNC(=S)Nc1ccc(SC(F)F)cc1)Cc1ccccc1 ZINC000007557340 817868951 /nfs/dbraw/zinc/86/89/51/817868951.db2.gz HXUMJNLGTVBSEK-INIZCTEOSA-N 1 0 395.544 4.461 20 0 GIADRO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@H]1C[C@@]12CCc1ccccc12 ZINC000572174317 823294687 /nfs/dbraw/zinc/29/46/87/823294687.db2.gz KDNGJSVEPXMTLA-BBVWWWHTSA-N 1 0 388.555 4.309 20 0 GIADRO CN(C)C(=O)c1ccc(C[NH2+]Cc2ccc(OC(C)(C)C)cc2C(F)(F)F)[nH]1 ZINC000176798872 823295559 /nfs/dbraw/zinc/29/55/59/823295559.db2.gz PEYYBNWZIRROSN-UHFFFAOYSA-N 1 0 397.441 4.202 20 0 GIADRO CCOc1ccc(Oc2ccc(Cl)cc2NC(=S)NCC[NH+](C)C)cc1 ZINC000007679976 817893083 /nfs/dbraw/zinc/89/30/83/817893083.db2.gz PQKWJUJPQNDIBW-UHFFFAOYSA-N 1 0 393.940 4.379 20 0 GIADRO COc1ccc([C@H](CNC(=S)NC2CCCCC2)[NH+]2CCCCC2)cc1 ZINC000007678683 817893130 /nfs/dbraw/zinc/89/31/30/817893130.db2.gz OLIATHGRZOCKQN-FQEVSTJZSA-N 1 0 375.582 4.019 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H](C)CSCc1ccccc1 ZINC000122032086 823296503 /nfs/dbraw/zinc/29/65/03/823296503.db2.gz LSPBEWKXKFJJNS-IBGZPJMESA-N 1 0 397.588 4.255 20 0 GIADRO Cc1oc(-c2ccccc2)c(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1C ZINC000188745656 823296704 /nfs/dbraw/zinc/29/67/04/823296704.db2.gz DORUDCGZZPTOLE-NHCUHLMSSA-N 1 0 396.531 4.061 20 0 GIADRO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000409741971 823296882 /nfs/dbraw/zinc/29/68/82/823296882.db2.gz SIKQPODFLJDGSL-CYBMUJFWSA-N 1 0 375.822 4.451 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+][C@@H](CC)c2ccc(Br)cc2)[C@H]1n1cccn1 ZINC000572189612 823296995 /nfs/dbraw/zinc/29/69/95/823296995.db2.gz ZRQNWYZEKLQSKU-WNRNVDISSA-N 1 0 378.314 4.105 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+][C@@H](CC)c2ccc(Br)cc2)[C@@H]1n1cccn1 ZINC000572189611 823297097 /nfs/dbraw/zinc/29/70/97/823297097.db2.gz ZRQNWYZEKLQSKU-FJIDUMEYSA-N 1 0 378.314 4.105 20 0 GIADRO Cc1cc(F)cc2c1CN(C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000409744175 823297246 /nfs/dbraw/zinc/29/72/46/823297246.db2.gz YQBKSEQGCDQBNV-RXVVDRJESA-N 1 0 395.522 4.112 20 0 GIADRO CSc1ccsc1C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000409761001 823301042 /nfs/dbraw/zinc/30/10/42/823301042.db2.gz LDHZCRJCUVRXGQ-UHFFFAOYSA-N 1 0 378.588 4.314 20 0 GIADRO CC(C)c1ccc([C@@H]([NH2+]CC(=O)Nc2ccc(C(=O)N(C)C)cc2)C(C)C)cc1 ZINC000007804295 817920687 /nfs/dbraw/zinc/92/06/87/817920687.db2.gz ATPPHXPMZYXEPC-QHCPKHFHSA-N 1 0 395.547 4.437 20 0 GIADRO C[C@H](NC(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1cc2ccccc2o1 ZINC000188775248 823302689 /nfs/dbraw/zinc/30/26/89/823302689.db2.gz HGGRFOOALZMLLC-KSZLIROESA-N 1 0 399.535 4.025 20 0 GIADRO C[C@H](NC(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)c1cc2ccccc2o1 ZINC000188775295 823302714 /nfs/dbraw/zinc/30/27/14/823302714.db2.gz HGGRFOOALZMLLC-KURKYZTESA-N 1 0 399.535 4.025 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2cccc(Cl)c2)cc1Br ZINC000007879150 817947593 /nfs/dbraw/zinc/94/75/93/817947593.db2.gz WTMXHGSTXFGPFA-NSHDSACASA-N 1 0 397.700 4.400 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2c(F)cccc2F)cc1Br ZINC000007879223 817948247 /nfs/dbraw/zinc/94/82/47/817948247.db2.gz DGJDAIZYULYWGI-SNVBAGLBSA-N 1 0 399.235 4.025 20 0 GIADRO CCc1cc2c(C[N@@H+](Cc3cccs3)C[C@@H]3CCCO3)cc(=O)oc2cc1O ZINC000007927425 817961862 /nfs/dbraw/zinc/96/18/62/817961862.db2.gz UGLOIEKAWGQQPH-KRWDZBQOSA-N 1 0 399.512 4.304 20 0 GIADRO O=c1ccn(C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)c2c(Br)cccc12 ZINC000176827444 823303593 /nfs/dbraw/zinc/30/35/93/823303593.db2.gz SAQKBTIZGMZTAM-DOTOQJQBSA-N 1 0 393.350 4.082 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)N(C)[C@H]2CC[C@@H](C(F)(F)F)CC2)c1 ZINC000460167438 823303665 /nfs/dbraw/zinc/30/36/65/823303665.db2.gz XDKYNZCCUPNXAI-HDICACEKSA-N 1 0 385.474 4.401 20 0 GIADRO Cc1c(C(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)cnn1CCC(C)C ZINC000122083740 823303882 /nfs/dbraw/zinc/30/38/82/823303882.db2.gz NHCURMFDCUKPNP-UHFFFAOYSA-N 1 0 381.524 4.006 20 0 GIADRO CCOC1CC(CC[NH2+]Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000188781378 823304079 /nfs/dbraw/zinc/30/40/79/823304079.db2.gz AVDUIUFAOXDODI-UHFFFAOYSA-N 1 0 378.257 4.345 20 0 GIADRO CCCC(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000057496408 823304210 /nfs/dbraw/zinc/30/42/10/823304210.db2.gz YOIPFSGBLQCDMF-GHTZIAJQSA-N 1 0 385.552 4.038 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(-c3ccc(OC)cc3)cc2F)[C@H](C)C1 ZINC000122116262 823308537 /nfs/dbraw/zinc/30/85/37/823308537.db2.gz DESRQJRJPHELOV-ZHRRBRCNSA-N 1 0 384.495 4.304 20 0 GIADRO C[C@H](C1CC1)n1cc(NC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)cn1 ZINC000188782365 823304603 /nfs/dbraw/zinc/30/46/03/823304603.db2.gz CKVLOLMNTPSTNT-MRXNPFEDSA-N 1 0 399.564 4.089 20 0 GIADRO Cc1ccccc1CCC(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000176848062 823308665 /nfs/dbraw/zinc/30/86/65/823308665.db2.gz FHTKTTODYJKRIC-UHFFFAOYSA-N 1 0 394.559 4.115 20 0 GIADRO Cc1cccc(NC(=O)N[C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)c1C ZINC000122117499 823308708 /nfs/dbraw/zinc/30/87/08/823308708.db2.gz QXJXPXCXHYAAFD-FQEVSTJZSA-N 1 0 379.504 4.413 20 0 GIADRO CC[NH+](CC)[C@H](C(=O)Nc1cc(C(=O)NCC2CC2)ccc1C)c1ccccc1 ZINC000188786971 823305732 /nfs/dbraw/zinc/30/57/32/823305732.db2.gz MZCJVJUEEVNVHA-QFIPXVFZSA-N 1 0 393.531 4.156 20 0 GIADRO O=C(NCCCCOc1ccc(F)cc1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000057516999 823306302 /nfs/dbraw/zinc/30/63/02/823306302.db2.gz BTPGXMJLACOEBC-UHFFFAOYSA-N 1 0 399.510 4.080 20 0 GIADRO CCC(CC)N(CC)C(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000460177112 823306492 /nfs/dbraw/zinc/30/64/92/823306492.db2.gz VPHYUFIRGPTIAV-QZTJIDSGSA-N 1 0 375.557 4.016 20 0 GIADRO CCOC1CC(CC[NH2+]Cc2cccc(NC(=O)c3ccc(OC)cc3)c2)C1 ZINC000188791282 823306690 /nfs/dbraw/zinc/30/66/90/823306690.db2.gz LCFGFMTZMVIAQC-UHFFFAOYSA-N 1 0 382.504 4.242 20 0 GIADRO CCC[NH+]1CCC(N(C)c2nnc(Cc3ccc4ccccc4c3)n2CC)CC1 ZINC000460177853 823306722 /nfs/dbraw/zinc/30/67/22/823306722.db2.gz NAEMCTNZNQYJTE-UHFFFAOYSA-N 1 0 391.563 4.353 20 0 GIADRO CC(C)[N@H+](CCC(=O)Nc1ccc(N2CCCC2=O)cc1)Cc1ccccc1 ZINC000011035469 818046235 /nfs/dbraw/zinc/04/62/35/818046235.db2.gz APMUXOSXRVHEMT-UHFFFAOYSA-N 1 0 379.504 4.053 20 0 GIADRO CC[C@H]([NH2+][C@H](C)C(=O)NCc1ccc(OC)c(OC)c1)c1ccc(Cl)cc1 ZINC000011048566 818047863 /nfs/dbraw/zinc/04/78/63/818047863.db2.gz KHPCKBXMYGFQEY-KDOFPFPSSA-N 1 0 390.911 4.103 20 0 GIADRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)Nc2ccc(F)cc2-c2cnn(C)c2)cc1 ZINC000572259141 823309054 /nfs/dbraw/zinc/30/90/54/823309054.db2.gz XFCGYSSRDQAIII-FQEVSTJZSA-N 1 0 395.482 4.171 20 0 GIADRO O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)c1coc2ccccc12 ZINC000176850842 823309273 /nfs/dbraw/zinc/30/92/73/823309273.db2.gz PCXWRSFNWJHAFO-UHFFFAOYSA-N 1 0 392.499 4.234 20 0 GIADRO Cc1ccccc1[C@H](OC[C@@H](O)C[NH2+]C(C)(C)c1nccs1)c1ccccc1 ZINC000122122277 823309309 /nfs/dbraw/zinc/30/93/09/823309309.db2.gz NJCFBRPJWBCVFD-PZJWPPBQSA-N 1 0 396.556 4.443 20 0 GIADRO COCc1ccccc1C[NH2+][C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000122121503 823309490 /nfs/dbraw/zinc/30/94/90/823309490.db2.gz UUPCWPFWWAKDFN-QGZVFWFLSA-N 1 0 387.545 4.400 20 0 GIADRO O=C(c1ccccc1)C1CC[NH+](C[C@@H](O)COc2ccc3ccccc3c2)CC1 ZINC000011343242 818074002 /nfs/dbraw/zinc/07/40/02/818074002.db2.gz FTHHFQQUAJITDD-HSZRJFAPSA-N 1 0 389.495 4.174 20 0 GIADRO CC[N@H+](Cc1ccc(OC)c(OC)c1)Cc1cc(=O)oc2c(C)c(C)ccc12 ZINC000011365911 818074987 /nfs/dbraw/zinc/07/49/87/818074987.db2.gz ACMSTQDSJNVVLV-UHFFFAOYSA-N 1 0 381.472 4.449 20 0 GIADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)N[C@H](c1c[nH]c2ccccc21)C(F)(F)F ZINC000572267951 823310396 /nfs/dbraw/zinc/31/03/96/823310396.db2.gz TUFBSTQQSRVZHR-RDTXWAMCSA-N 1 0 396.457 4.287 20 0 GIADRO COc1ccc(CCC2CC[NH+](CC(=O)N[C@H](C)c3cccs3)CC2)cc1 ZINC000011419880 818079506 /nfs/dbraw/zinc/07/95/06/818079506.db2.gz BDOSJKLQBWPSOG-QGZVFWFLSA-N 1 0 386.561 4.279 20 0 GIADRO Cc1cc(C)c(C)c(OCCC(=O)NC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000409801007 823310699 /nfs/dbraw/zinc/31/06/99/823310699.db2.gz MJRAQQIHCYOSQZ-UHFFFAOYSA-N 1 0 394.559 4.204 20 0 GIADRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1cccc2cccnc21 ZINC000011556274 818095128 /nfs/dbraw/zinc/09/51/28/818095128.db2.gz ILHLBQBGIBUDEE-UHFFFAOYSA-N 1 0 387.487 4.179 20 0 GIADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N[C@H]1CCCC[C@H]1C(F)(F)F ZINC000572278565 823312009 /nfs/dbraw/zinc/31/20/09/823312009.db2.gz KPPINMCOBWNLBU-ILXRZTDVSA-N 1 0 389.487 4.305 20 0 GIADRO CCCOc1cc(OC)ccc1C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000188816653 823312165 /nfs/dbraw/zinc/31/21/65/823312165.db2.gz ZIGHEFMESAAVDQ-UHFFFAOYSA-N 1 0 396.531 4.221 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N[C@@H]1CCSc2c(F)cccc21 ZINC000011761865 818117113 /nfs/dbraw/zinc/11/71/13/818117113.db2.gz UEJJHAUEABAZCE-HXUWFJFHSA-N 1 0 399.535 4.458 20 0 GIADRO C[NH+](C)CC1(C(=O)NCC2(c3ccc(Cl)cc3)CCOCC2)CCCCC1 ZINC000460197311 823313305 /nfs/dbraw/zinc/31/33/05/823313305.db2.gz ZEANERJTLMDNIQ-UHFFFAOYSA-N 1 0 392.971 4.017 20 0 GIADRO C[NH+](C)CCN(Cc1ccco1)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000176876946 823315685 /nfs/dbraw/zinc/31/56/85/823315685.db2.gz FKKRFDXTXODNDS-KRWDZBQOSA-N 1 0 393.940 4.243 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+][C@@H](C)c2ccc(F)cc2F)c1 ZINC000122170149 823316273 /nfs/dbraw/zinc/31/62/73/823316273.db2.gz IJIKTDGHRBBZBX-OLZOCXBDSA-N 1 0 378.419 4.050 20 0 GIADRO COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H](C)c2ccc(F)cc2F)c(OC)c1 ZINC000122171571 823316617 /nfs/dbraw/zinc/31/66/17/823316617.db2.gz PDSDYYAXDVKYNX-CHWSQXEVSA-N 1 0 378.419 4.050 20 0 GIADRO CCOc1ccc(C(F)(F)F)cc1NC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000409820549 823316613 /nfs/dbraw/zinc/31/66/13/823316613.db2.gz PUOGRWZUDOMRNE-UHFFFAOYSA-N 1 0 387.446 4.346 20 0 GIADRO CS(=O)(=O)c1cccc([C@H]([NH2+]CCCc2ccccc2)c2ccccc2)c1 ZINC000176883519 823317138 /nfs/dbraw/zinc/31/71/38/823317138.db2.gz FQGIRYPZLGLCIY-HSZRJFAPSA-N 1 0 379.525 4.402 20 0 GIADRO C[NH+](C)CC1(C(=O)Nc2ccccc2NC(=O)Cc2cccs2)CCCCC1 ZINC000460207056 823317189 /nfs/dbraw/zinc/31/71/89/823317189.db2.gz ZEWWJMNCLUNZLO-UHFFFAOYSA-N 1 0 399.560 4.380 20 0 GIADRO COc1ccccc1C[C@@H](C)CC(=O)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000409827545 823318437 /nfs/dbraw/zinc/31/84/37/823318437.db2.gz SJRVRETVHHAICC-NQIIRXRSSA-N 1 0 378.516 4.275 20 0 GIADRO C[C@H](C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccc(F)c(F)c1 ZINC000460210720 823318431 /nfs/dbraw/zinc/31/84/31/823318431.db2.gz OBGJUUSHAYDQJR-ZBQZNYHESA-N 1 0 378.488 4.329 20 0 GIADRO CCCc1occc1C(=O)Nc1cc(C)nn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000409836715 823321058 /nfs/dbraw/zinc/32/10/58/823321058.db2.gz ONODYDVESMGVMA-LJQANCHMSA-N 1 0 392.503 4.436 20 0 GIADRO Cc1ccccc1C1(C[NH2+][C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)CCOCC1 ZINC000122201701 823321308 /nfs/dbraw/zinc/32/13/08/823321308.db2.gz GAVZPXPKJXAHQI-UXHICEINSA-N 1 0 388.552 4.079 20 0 GIADRO Cc1cccc2c1OCC[C@H]2NCc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000188880180 823321803 /nfs/dbraw/zinc/32/18/03/823321803.db2.gz KAUWHJADHLKGCR-HXUWFJFHSA-N 1 0 385.939 4.014 20 0 GIADRO CCCc1occc1C(=O)Nc1c(C)cnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000409840467 823322115 /nfs/dbraw/zinc/32/21/15/823322115.db2.gz SVEAYOQZRBKTJD-IBGZPJMESA-N 1 0 392.503 4.436 20 0 GIADRO CC[C@@H](CNC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)Oc1ccccc1C ZINC000176913212 823322906 /nfs/dbraw/zinc/32/29/06/823322906.db2.gz CCAVCBKUMHPTMQ-FQEVSTJZSA-N 1 0 399.535 4.051 20 0 GIADRO CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@](C)(Cc1ccccc1)[C@@H](C)O ZINC000188906552 823326397 /nfs/dbraw/zinc/32/63/97/823326397.db2.gz NDULJLUTUUQMTN-GLDPYIMESA-N 1 0 382.548 4.186 20 0 GIADRO O=C(C[NH2+][C@@H](Cc1ccccc1)c1ccccc1)N[C@@H]1CCOc2ccccc21 ZINC000409847775 823324564 /nfs/dbraw/zinc/32/45/64/823324564.db2.gz YHEKPEPLYXBHQZ-PKTZIBPZSA-N 1 0 386.495 4.200 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(Oc3cccnc3)c(C)c2)C1 ZINC000176923289 823325184 /nfs/dbraw/zinc/32/51/84/823325184.db2.gz RQUAFCPVKYGQRK-SFHVURJKSA-N 1 0 382.508 4.378 20 0 GIADRO O=C(CC[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O)Nc1c(Cl)cccc1Cl ZINC000572353765 823326573 /nfs/dbraw/zinc/32/65/73/823326573.db2.gz MXEXVLUAPMCAOT-KBRIMQKVSA-N 1 0 385.335 4.338 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)Cc2cccc(C(F)(F)F)c2)C1 ZINC000409849026 823325273 /nfs/dbraw/zinc/32/52/73/823325273.db2.gz LUVLLQCADNDNAP-DNVCBOLYSA-N 1 0 376.422 4.200 20 0 GIADRO Cc1cc(NC(=O)N2CC[NH+](CC3CCOCC3)CC2)ccc1-c1ccccc1 ZINC000460232016 823325211 /nfs/dbraw/zinc/32/52/11/823325211.db2.gz LODZYVVCOWOPKZ-UHFFFAOYSA-N 1 0 393.531 4.238 20 0 GIADRO C[C@H](O)[C@@](C)(C[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)Cc1ccccc1 ZINC000188903715 823325756 /nfs/dbraw/zinc/32/57/56/823325756.db2.gz PIWTZLPDAYOUOR-VJNDCXKWSA-N 1 0 375.553 4.106 20 0 GIADRO Cc1nc(-c2cccc(Cl)c2)sc1C(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000176925144 823325848 /nfs/dbraw/zinc/32/58/48/823325848.db2.gz ROOSNRUOSBWZOB-UHFFFAOYSA-N 1 0 386.908 4.481 20 0 GIADRO CCC(CC)(CNC(=O)N1CC[C@@H](n2cc(C)cn2)C1)[NH2+][C@H](C)c1ccccc1 ZINC000460237836 823327037 /nfs/dbraw/zinc/32/70/37/823327037.db2.gz BMCLMEVYSLCXEF-TZIWHRDSSA-N 1 0 397.567 4.058 20 0 GIADRO COc1ccc(C(=O)C(C(=S)Nc2ccccc2)[n+]2cccc(C)c2)cc1 ZINC000015244238 818302307 /nfs/dbraw/zinc/30/23/07/818302307.db2.gz AUSQMUOPOTYJSJ-UHFFFAOYSA-O 1 0 377.489 4.342 20 0 GIADRO Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@](C)(Cc2ccccc2)[C@@H](C)O)c(C)c1 ZINC000188914928 823327876 /nfs/dbraw/zinc/32/78/76/823327876.db2.gz IYFRSTLSPCDVQZ-DCLXLUIPSA-N 1 0 382.548 4.240 20 0 GIADRO O=S(=O)(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000015335986 818314259 /nfs/dbraw/zinc/31/42/59/818314259.db2.gz PLZWGNNBSPGFSZ-UHFFFAOYSA-N 1 0 399.343 4.068 20 0 GIADRO C[C@H]([NH2+][C@H]1CCOc2c(Br)cccc21)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000409858090 823328216 /nfs/dbraw/zinc/32/82/16/823328216.db2.gz MWDIEIWQEYYHEI-LOUJCGABSA-N 1 0 395.341 4.040 20 0 GIADRO COc1ccc(NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)cc1F ZINC000057752946 823328595 /nfs/dbraw/zinc/32/85/95/823328595.db2.gz QNMHLSLVSBMNJG-MRXNPFEDSA-N 1 0 385.483 4.388 20 0 GIADRO COc1ccc([C@H](CNC(=O)CCc2ccc([C@@H]3C[C@@H]3C)o2)[NH+]2CCCC2)cc1 ZINC000057781392 823331998 /nfs/dbraw/zinc/33/19/98/823331998.db2.gz PXFMZPGJYITJQP-WTOYTKOKSA-N 1 0 396.531 4.298 20 0 GIADRO COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCC[C@H]2C)cc1 ZINC000409860576 823328864 /nfs/dbraw/zinc/32/88/64/823328864.db2.gz UTUIMRCFBWSDDC-JTDSTZFVSA-N 1 0 395.503 4.053 20 0 GIADRO O=C(Nc1ccc(-c2nncs2)cc1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000572376280 823329465 /nfs/dbraw/zinc/32/94/65/823329465.db2.gz FFFWNNVWEFYZJB-UHFFFAOYSA-N 1 0 378.501 4.443 20 0 GIADRO O=C(COc1c(Cl)cccc1Cl)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000015564533 818338780 /nfs/dbraw/zinc/33/87/80/818338780.db2.gz SAQXDMUZZVZTCP-UHFFFAOYSA-N 1 0 393.314 4.153 20 0 GIADRO C[C@H](C(=O)N[C@@H]1C[N@H+](C)C[C@@H]1c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000409863624 823329691 /nfs/dbraw/zinc/32/96/91/823329691.db2.gz CUDRHOIUFCCJND-GDIGMMSISA-N 1 0 376.422 4.023 20 0 GIADRO C[NH+](C)Cc1ccnc(NC(=O)c2cn(Cc3ccccc3)c3ccccc23)c1 ZINC000176945303 823331233 /nfs/dbraw/zinc/33/12/33/823331233.db2.gz UXFIFLRABCVMOQ-UHFFFAOYSA-N 1 0 384.483 4.399 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(Cl)cc1OC(F)F)c1ccsc1 ZINC000460258310 823332993 /nfs/dbraw/zinc/33/29/93/823332993.db2.gz LKBZDUCXVKUFFB-ZDUSSCGKSA-N 1 0 389.855 4.427 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)Nc2ccc(Cl)cc2OC(F)F)c1 ZINC000460259315 823333333 /nfs/dbraw/zinc/33/33/33/823333333.db2.gz OCCDOEPBRYACMJ-UHFFFAOYSA-N 1 0 383.826 4.325 20 0 GIADRO CCOCc1cccc(NC(=O)N(Cc2ccncc2)C[C@H]2CCC[N@@H+]2CC)c1 ZINC000176954178 823333384 /nfs/dbraw/zinc/33/33/84/823333384.db2.gz DHBRSJIJWKIBGV-JOCHJYFZSA-N 1 0 396.535 4.137 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000016102406 818393274 /nfs/dbraw/zinc/39/32/74/818393274.db2.gz TZVIZSPHFZMDIZ-UHFFFAOYSA-N 1 0 383.492 4.249 20 0 GIADRO CC[NH+](CC)[C@@H](C(=O)N[C@@H](C)CC(C)(C)OC)c1cccc(C(F)(F)F)c1 ZINC000460264368 823334636 /nfs/dbraw/zinc/33/46/36/823334636.db2.gz JBANZECYUZOJHS-WMLDXEAASA-N 1 0 388.474 4.408 20 0 GIADRO FC(F)(F)c1cccc(NC(=S)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000016243793 818409701 /nfs/dbraw/zinc/40/97/01/818409701.db2.gz RONVDSLPQNQDOE-QGZVFWFLSA-N 1 0 379.451 4.266 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)CSc1ccc2ccccc2c1)Cc1ccccc1 ZINC000016259008 818411838 /nfs/dbraw/zinc/41/18/38/818411838.db2.gz LRFSNODWTIHZOX-OAQYLSRUSA-N 1 0 378.541 4.221 20 0 GIADRO CCN(c1nnc([C@@H]2OCC[C@@H]2C)n1CC)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000460266445 823335136 /nfs/dbraw/zinc/33/51/36/823335136.db2.gz KEMBZVNVPBNCJL-JYAXBFRTSA-N 1 0 397.567 4.057 20 0 GIADRO C[NH+]1CCC([C@H]2CCN(C(=O)Nc3ccc(Cl)cc3OC(F)F)C2)CC1 ZINC000460267604 823335477 /nfs/dbraw/zinc/33/54/77/823335477.db2.gz NHTXQBMQQQZYFE-ZDUSSCGKSA-N 1 0 387.858 4.137 20 0 GIADRO C[C@@H](OC(=O)c1ccc(C[NH+]2CCCCC2)cc1)C(=O)NCCC1=CCCCC1 ZINC000016402190 818436138 /nfs/dbraw/zinc/43/61/38/818436138.db2.gz CPNOEFIRRQLOLS-LJQANCHMSA-N 1 0 398.547 4.225 20 0 GIADRO CCCc1cnc(NC(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)s1 ZINC000572432626 823337805 /nfs/dbraw/zinc/33/78/05/823337805.db2.gz NRCZUZHBVUDFDB-SFHVURJKSA-N 1 0 388.537 4.063 20 0 GIADRO COCCC1(C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)CCCC1 ZINC000122316495 823337017 /nfs/dbraw/zinc/33/70/17/823337017.db2.gz QEGUDHPWOIWJID-UHFFFAOYSA-N 1 0 378.944 4.131 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000176974011 823339604 /nfs/dbraw/zinc/33/96/04/823339604.db2.gz MBZCCNXAFQMCFN-UHFFFAOYSA-N 1 0 397.567 4.369 20 0 GIADRO O=C(NCCC[NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)C1CCC1 ZINC000176987242 823343086 /nfs/dbraw/zinc/34/30/86/823343086.db2.gz JNNNFJHYWWUQLW-UHFFFAOYSA-N 1 0 397.466 4.225 20 0 GIADRO C[NH+](C)Cc1cc(CNC(=O)N(Cc2c(F)cccc2F)C2CC2)ccc1F ZINC000189002111 823340219 /nfs/dbraw/zinc/34/02/19/823340219.db2.gz PDDURRQXOIXJQL-UHFFFAOYSA-N 1 0 391.437 4.040 20 0 GIADRO C[C@@H](C(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000122337400 823340294 /nfs/dbraw/zinc/34/02/94/823340294.db2.gz GEYQEGQWJSEFRV-ZNMIVQPWSA-N 1 0 389.927 4.449 20 0 GIADRO O=C(NCCC[NH+]1CCCCC1)c1sc2ccccc2c1Br ZINC000572446187 823340768 /nfs/dbraw/zinc/34/07/68/823340768.db2.gz KCIOXGPXIKUNKG-UHFFFAOYSA-N 1 0 381.339 4.270 20 0 GIADRO CC(C)n1cnc(C(=O)N[C@@H]2CCN(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000409905242 823340818 /nfs/dbraw/zinc/34/08/18/823340818.db2.gz VTWYJDFOQLAVLU-IEBWSBKVSA-N 1 0 392.906 4.210 20 0 GIADRO COc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]Cc2cccnc2)cc1 ZINC000017310175 818508030 /nfs/dbraw/zinc/50/80/30/818508030.db2.gz KVKYWFNARACIMB-UHFFFAOYSA-N 1 0 384.483 4.292 20 0 GIADRO COc1ccccc1CC[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000017316210 818508633 /nfs/dbraw/zinc/50/86/33/818508633.db2.gz BKCSNMIPBOVFDD-UHFFFAOYSA-N 1 0 384.483 4.275 20 0 GIADRO Cc1ccc(OCc2nc(C[NH2+][C@@H](CO)Cc3cccc(C)c3)cs2)cc1 ZINC000189007600 823341513 /nfs/dbraw/zinc/34/15/13/823341513.db2.gz CVYQQGUXMRKZSL-LJQANCHMSA-N 1 0 382.529 4.032 20 0 GIADRO CC1CC[NH+]([C@@H](CNC(=O)N2CCC[C@H]2c2cccn2C)c2ccccc2)CC1 ZINC000057855125 823341944 /nfs/dbraw/zinc/34/19/44/823341944.db2.gz DKFDWYOAFKCHJS-GOTSBHOMSA-N 1 0 394.563 4.345 20 0 GIADRO COc1ccc(C[N@H+](C[C@@H](O)COc2cccc3ccccc32)C2CC2)cc1 ZINC000057868330 823343597 /nfs/dbraw/zinc/34/35/97/823343597.db2.gz LLMJZLYGZDTYEV-OAQYLSRUSA-N 1 0 377.484 4.253 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@@H]2CCCc3c(O)cccc32)CC1 ZINC000189026404 823343995 /nfs/dbraw/zinc/34/39/95/823343995.db2.gz XEOQPTSUNROPCE-HTAPYJJXSA-N 1 0 393.531 4.294 20 0 GIADRO Clc1cnc(-n2cc(N[C@H]3CC[NH2+][C@H](c4ccccc4)C3)cn2)c(Cl)c1 ZINC000572464050 823344637 /nfs/dbraw/zinc/34/46/37/823344637.db2.gz BKJDQHOAZDNDLT-YJBOKZPZSA-N 1 0 388.302 4.479 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@H]3CCC(=O)c4ccccc43)cc2)C1 ZINC000572465399 823344975 /nfs/dbraw/zinc/34/49/75/823344975.db2.gz ZUXBPWFREZUEIZ-JPYJTQIMSA-N 1 0 390.527 4.295 20 0 GIADRO COc1cccc2cc([C@@H](C)[NH2+][C@@H]3CCN(Cc4ccc(F)cc4)C3=O)oc21 ZINC000189053952 823349370 /nfs/dbraw/zinc/34/93/70/823349370.db2.gz XESQOLLGDKEXER-RDTXWAMCSA-N 1 0 382.435 4.032 20 0 GIADRO Cc1ccc(F)cc1NC(=O)[C@H](C)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000057889330 823345255 /nfs/dbraw/zinc/34/52/55/823345255.db2.gz QDWYZIAWMVDCCR-SFHVURJKSA-N 1 0 375.532 4.049 20 0 GIADRO Cc1ccc(NC(=O)[C@H](C)N2CCC(C[NH+]3CCCCCC3)CC2)c(F)c1 ZINC000057889423 823345275 /nfs/dbraw/zinc/34/52/75/823345275.db2.gz AVVCQXRJLDIEKZ-SFHVURJKSA-N 1 0 375.532 4.049 20 0 GIADRO C[C@H](Oc1ccccc1NC(=O)N1CCC([NH+]2CCCCC2)CC1)C(F)(F)F ZINC000572470692 823345643 /nfs/dbraw/zinc/34/56/43/823345643.db2.gz QKEMOJHWRBTQRM-HNNXBMFYSA-N 1 0 399.457 4.498 20 0 GIADRO CC(C)n1c(Sc2nc(C3CCCCC3)ns2)nnc1[C@@H]1CCC[NH2+]C1 ZINC000572472241 823346225 /nfs/dbraw/zinc/34/62/25/823346225.db2.gz XVULUFYBCYMCEU-CQSZACIVSA-N 1 0 392.598 4.376 20 0 GIADRO COc1cccc2cc([C@@H](C)[NH2+][C@H]3CCN(Cc4ccc(F)cc4)C3=O)oc21 ZINC000189054001 823349451 /nfs/dbraw/zinc/34/94/51/823349451.db2.gz XESQOLLGDKEXER-KDOFPFPSSA-N 1 0 382.435 4.032 20 0 GIADRO COc1ccc2oc([C@H](C)[NH2+][C@@H](C)CS(=O)(=O)c3ccccc3)c(C)c2c1 ZINC000122378643 823346389 /nfs/dbraw/zinc/34/63/89/823346389.db2.gz UUZVMYABCRBBIL-HOCLYGCPSA-N 1 0 387.501 4.263 20 0 GIADRO O=C(Nc1nc(C2CC[NH2+]CC2)cs1)c1ccc(Oc2ccccc2)nc1 ZINC000572482518 823347613 /nfs/dbraw/zinc/34/76/13/823347613.db2.gz WUMYDJNUZCOFRN-UHFFFAOYSA-N 1 0 380.473 4.050 20 0 GIADRO C[NH+](C)CCCN(Cc1cccs1)C(=S)NCCSc1ccccc1 ZINC000057911311 823347655 /nfs/dbraw/zinc/34/76/55/823347655.db2.gz BTTRWWQVBXTIRH-UHFFFAOYSA-N 1 0 393.647 4.169 20 0 GIADRO C[NH+](C)CCCC1CCN(C(=O)NC[C@H](c2ccccc2)C(F)(F)F)CC1 ZINC000189049681 823348616 /nfs/dbraw/zinc/34/86/16/823348616.db2.gz BFHHBAUDQZUESK-GOSISDBHSA-N 1 0 385.474 4.096 20 0 GIADRO CC1(C)CC(NC(=O)C2(c3cc(F)cc(C(F)(F)F)c3)CC2)CC(C)(C)[NH2+]1 ZINC000189051579 823348710 /nfs/dbraw/zinc/34/87/10/823348710.db2.gz ZOSAWTSBSTVZKK-UHFFFAOYSA-N 1 0 386.433 4.302 20 0 GIADRO CCc1ccccc1NC(=O)[C@@H](C)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000057933006 823348943 /nfs/dbraw/zinc/34/89/43/823348943.db2.gz HIHKJPBEDDIWGR-GOSISDBHSA-N 1 0 397.588 4.279 20 0 GIADRO Cc1cccc(C)c1NC(=O)[C@@H](C)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000057933019 823348998 /nfs/dbraw/zinc/34/89/98/823348998.db2.gz PUTLOUHCUHMVJV-LJQANCHMSA-N 1 0 397.588 4.334 20 0 GIADRO Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000020908157 818639542 /nfs/dbraw/zinc/63/95/42/818639542.db2.gz ADDOJCJNAWNWNR-SFHVURJKSA-N 1 0 383.879 4.336 20 0 GIADRO CCc1oc2ccccc2c1C[NH2+]C[C@@H](c1cccs1)N1CCN(C)CC1 ZINC000020936641 818641692 /nfs/dbraw/zinc/64/16/92/818641692.db2.gz JPZOFTDLORHYGG-IBGZPJMESA-N 1 0 383.561 4.135 20 0 GIADRO COc1ccc(CN(C(=O)C[N@@H+]2CCC[C@@H]2c2ccc(OC)cc2)C2CC2)cc1 ZINC000020947610 818642481 /nfs/dbraw/zinc/64/24/81/818642481.db2.gz VNPNMWQDQBRTOS-HSZRJFAPSA-N 1 0 394.515 4.032 20 0 GIADRO CN(C(=O)NCCCCC[NH+]1CCCCC1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000460326575 823354427 /nfs/dbraw/zinc/35/44/27/823354427.db2.gz SZSLVZSEVHLJNZ-CALCHBBNSA-N 1 0 377.495 4.405 20 0 GIADRO O=C1C[C@H](C[NH2+][C@@H](c2ccc(F)cc2)c2cnc3ccccc3c2)CN1C1CC1 ZINC000572531908 823355495 /nfs/dbraw/zinc/35/54/95/823355495.db2.gz OKWISSMJKCYXAG-GYCJOSAFSA-N 1 0 389.474 4.064 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)Nc2cc(Br)c(F)cc2F)c1 ZINC000189124926 823360988 /nfs/dbraw/zinc/36/09/88/823360988.db2.gz JVSVOIZOMSLSAX-UHFFFAOYSA-N 1 0 398.251 4.111 20 0 GIADRO COc1ccc(C[N@@H+]2CCCN(C(=O)CCc3cc4ccccc4o3)CC2)cc1 ZINC000021468936 818691384 /nfs/dbraw/zinc/69/13/84/818691384.db2.gz BUCNUGZZIAPJLA-UHFFFAOYSA-N 1 0 392.499 4.109 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)NCc1ccc(-c2nc3ccccc3s2)o1 ZINC000409965342 823356521 /nfs/dbraw/zinc/35/65/21/823356521.db2.gz RDIZUFGRMIMPSN-OAHLLOKOSA-N 1 0 398.532 4.230 20 0 GIADRO Cc1sc(NC(=O)CNC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)c(C)c1C ZINC000460351178 823361088 /nfs/dbraw/zinc/36/10/88/823361088.db2.gz SFTDPVXRWALGQN-HZPDHXFCSA-N 1 0 399.604 4.358 20 0 GIADRO O=C([C@H]1CCCC(F)(F)C1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000409969581 823358142 /nfs/dbraw/zinc/35/81/42/823358142.db2.gz DAFKYZJNZOELTQ-FPOVZHCZSA-N 1 0 376.491 4.327 20 0 GIADRO COc1ccc([C@H]2CCCCC[N@@H+]2Cc2cc(=O)n3cc(Cl)ccc3n2)cc1 ZINC000021673108 818723909 /nfs/dbraw/zinc/72/39/09/818723909.db2.gz BAGBNSMLWYYHHO-HXUWFJFHSA-N 1 0 397.906 4.474 20 0 GIADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C2(Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000189106909 823358675 /nfs/dbraw/zinc/35/86/75/823358675.db2.gz IBPDYDGVSQTKMR-QGZVFWFLSA-N 1 0 382.470 4.265 20 0 GIADRO C[C@H]1C[C@@H](NC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)C[N@@H+]1C1CC1 ZINC000177085514 823367542 /nfs/dbraw/zinc/36/75/42/823367542.db2.gz YLUAQUOGAUHMAU-FUHWJXTLSA-N 1 0 387.483 4.364 20 0 GIADRO Brc1cc2cccnc2c(C[NH+]2CCC([C@H]3CCCO3)CC2)c1 ZINC000189133963 823362619 /nfs/dbraw/zinc/36/26/19/823362619.db2.gz AMBVPZYKBUVBRQ-GOSISDBHSA-N 1 0 375.310 4.388 20 0 GIADRO CC[NH+]1CCC(NC(=O)CCN2c3ccccc3Sc3ccccc32)CC1 ZINC000022238111 818784802 /nfs/dbraw/zinc/78/48/02/818784802.db2.gz XUAZMAAJDKEXRZ-UHFFFAOYSA-N 1 0 381.545 4.280 20 0 GIADRO O=C(NC1CC[NH+](C2CC2)CC1)c1ccc(-c2nc3ccccc3s2)s1 ZINC000022292674 818791368 /nfs/dbraw/zinc/79/13/68/818791368.db2.gz SBBYYFHZLOWJPN-UHFFFAOYSA-N 1 0 383.542 4.381 20 0 GIADRO CN(C)c1ccc(NC(=O)NCCC[NH+]2CCCCCC2)c(C(F)(F)F)c1 ZINC000058135581 823364167 /nfs/dbraw/zinc/36/41/67/823364167.db2.gz PWPQMMAEGMOSHA-UHFFFAOYSA-N 1 0 386.462 4.159 20 0 GIADRO O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)N[C@@H]1CCCC(F)(F)C1 ZINC000460362812 823364214 /nfs/dbraw/zinc/36/42/14/823364214.db2.gz ZSZKPUCJVLLKTD-RTBURBONSA-N 1 0 379.495 4.166 20 0 GIADRO CC[C@@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000412055781 823624604 /nfs/dbraw/zinc/62/46/04/823624604.db2.gz MNJMMCCAHYRGSW-MSOLQXFVSA-N 1 0 379.342 4.377 20 0 GIADRO CC[C@@H](NC(=O)NCc1ccccc1C[NH+]1CCCC1)c1ccc(OC)cc1 ZINC000022419753 818804031 /nfs/dbraw/zinc/80/40/31/818804031.db2.gz QMJKTVITWWJMCT-JOCHJYFZSA-N 1 0 381.520 4.242 20 0 GIADRO C[C@H](NC(=O)C[NH+]1CCC([C@H]2CCCO2)CC1)c1ccc(Cl)cc1Cl ZINC000189147868 823365015 /nfs/dbraw/zinc/36/50/15/823365015.db2.gz PKKQNGIZKRMQIF-SCLBCKFNSA-N 1 0 385.335 4.062 20 0 GIADRO C[C@H]1C[C@@H](NC(=O)C(C)(C)COCc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000409993132 823365261 /nfs/dbraw/zinc/36/52/61/823365261.db2.gz NHRXFHFOKASNPI-REWPJTCUSA-N 1 0 394.559 4.399 20 0 GIADRO CCOc1ccc([C@@H]2CCC[N@@H+]2CCCCN2C(=O)c3ccccc3C2=O)cc1 ZINC000022474561 818812706 /nfs/dbraw/zinc/81/27/06/818812706.db2.gz YKJLABUQGYPEDM-QFIPXVFZSA-N 1 0 392.499 4.299 20 0 GIADRO CCOc1ccc(-c2nc(C(=O)NC[C@H]3CCC[N@@H+](C(C)C)C3)cs2)cc1 ZINC000409993692 823365445 /nfs/dbraw/zinc/36/54/45/823365445.db2.gz PWLCEKDBHDUKOA-MRXNPFEDSA-N 1 0 387.549 4.059 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cccc(OC[C@H]2CCCO2)c1 ZINC000022610450 818833508 /nfs/dbraw/zinc/83/35/08/818833508.db2.gz ICCZDZYNOUAENI-HSZRJFAPSA-N 1 0 396.531 4.016 20 0 GIADRO CCC(CC)[C@@H](C[NH2+]Cc1csc(-c2cccs2)n1)N1CCOCC1 ZINC000058179049 823366835 /nfs/dbraw/zinc/36/68/35/823366835.db2.gz XMWUSCOAODPAOJ-QGZVFWFLSA-N 1 0 379.595 4.098 20 0 GIADRO CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1 ZINC000460353715 823361924 /nfs/dbraw/zinc/36/19/24/823361924.db2.gz QGMJRTPOCYVQHM-LVCYWYKZSA-N 1 0 382.504 4.161 20 0 GIADRO CC(C)(C)c1cc[n+](C(C(=O)c2ccc(F)c(F)c2)C(=S)NC2CC2)cc1 ZINC000022688370 818844389 /nfs/dbraw/zinc/84/43/89/818844389.db2.gz VQHNGFRXARZHED-UHFFFAOYSA-O 1 0 389.491 4.241 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1cnc2onc(C(C)C)c2c1)c1ccccc1 ZINC000022752916 818855828 /nfs/dbraw/zinc/85/58/28/818855828.db2.gz XKKGDKGQWVGPOZ-LJQANCHMSA-N 1 0 380.492 4.159 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)COCc1nc2ccccc2s1)c1ccccc1 ZINC000022752334 818855993 /nfs/dbraw/zinc/85/59/93/818855993.db2.gz NTHSGXLPIOCXCJ-LJQANCHMSA-N 1 0 397.544 4.012 20 0 GIADRO Cc1cccc(NC(=O)N2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1Cl ZINC000177089450 823368780 /nfs/dbraw/zinc/36/87/80/823368780.db2.gz BIPRCLQMFRKFGM-IRXDYDNUSA-N 1 0 393.959 4.392 20 0 GIADRO FC(F)Oc1ccc(Br)cc1C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000022770279 818858226 /nfs/dbraw/zinc/85/82/26/818858226.db2.gz ROVCFFSKPQHPIA-UHFFFAOYSA-N 1 0 386.192 4.069 20 0 GIADRO CCOc1cc(C[NH2+][C@H](CC)c2ccc(C)cc2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000022778325 818860073 /nfs/dbraw/zinc/86/00/73/818860073.db2.gz LPDSVPFZLYTTCW-GHTZIAJQSA-N 1 0 398.547 4.490 20 0 GIADRO CCOc1cc(C[NH2+][C@@H](CC)c2ccc(C)cc2)ccc1O[C@H](C)C(=O)N(C)C ZINC000022778330 818860272 /nfs/dbraw/zinc/86/02/72/818860272.db2.gz LPDSVPFZLYTTCW-NQIIRXRSSA-N 1 0 398.547 4.490 20 0 GIADRO CCc1ccccc1NC(=O)CN1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000022786810 818860908 /nfs/dbraw/zinc/86/09/08/818860908.db2.gz IPDMPLGQSARMMB-UHFFFAOYSA-N 1 0 387.527 4.159 20 0 GIADRO Cc1cc(C)c(NC(=O)[C@@H](C)N2CC[NH+](Cc3ccccc3C)CC2)c(C)c1 ZINC000022818434 818864115 /nfs/dbraw/zinc/86/41/15/818864115.db2.gz NPHRKXKKNMDFDN-OAQYLSRUSA-N 1 0 379.548 4.065 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccccc1OC[C@H]1CCCO1 ZINC000022872435 818869063 /nfs/dbraw/zinc/86/90/63/818869063.db2.gz CVBDJGBJJAYKNW-OAQYLSRUSA-N 1 0 396.531 4.016 20 0 GIADRO Brc1ccc2[nH]c(C[N@H+](C[C@@H]3CCCO3)C3CCCC3)nc2c1 ZINC000460378868 823369497 /nfs/dbraw/zinc/36/94/97/823369497.db2.gz DFJVHVVAGXXHHW-HNNXBMFYSA-N 1 0 378.314 4.249 20 0 GIADRO CSCc1cnc(C[NH2+][C@H]2CCN(c3ccccc3Br)C2)s1 ZINC000572614216 823369562 /nfs/dbraw/zinc/36/95/62/823369562.db2.gz BCIOJDYPCGDGIX-LBPRGKRZSA-N 1 0 398.395 4.137 20 0 GIADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(C)(C)c2csc(-c3cccs3)n2)C1 ZINC000410007821 823370128 /nfs/dbraw/zinc/37/01/28/823370128.db2.gz XTRVZVXFSJLNRW-UONOGXRCSA-N 1 0 377.579 4.138 20 0 GIADRO C[C@@H]([NH2+]C1CCN([C@@H](C)c2ccncc2)CC1)c1cncc(Br)c1 ZINC000572617809 823370170 /nfs/dbraw/zinc/37/01/70/823370170.db2.gz IRYNDTWAOZVRFT-CABCVRRESA-N 1 0 389.341 4.115 20 0 GIADRO C[C@H](CNC(=O)c1ccccc1N(C)C(=O)c1cccs1)[N@@H+]1CCCC[C@H]1C ZINC000058230926 823370194 /nfs/dbraw/zinc/37/01/94/823370194.db2.gz KCKIBIGRBBPZMZ-IAGOWNOFSA-N 1 0 399.560 4.017 20 0 GIADRO COc1ccccc1C(C)(C)CNC(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000058237464 823370670 /nfs/dbraw/zinc/37/06/70/823370670.db2.gz YQGLKGRBDKCFID-QUCCMNQESA-N 1 0 395.547 4.108 20 0 GIADRO CC[NH+](CC)CCOc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000058258287 823372199 /nfs/dbraw/zinc/37/21/99/823372199.db2.gz SPJMJIAAZYQIKO-UHFFFAOYSA-N 1 0 384.564 4.240 20 0 GIADRO C[NH+](C)CCCOC1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000177106980 823372900 /nfs/dbraw/zinc/37/29/00/823372900.db2.gz LFOGPIMKOOUODV-IAGOWNOFSA-N 1 0 399.362 4.056 20 0 GIADRO C[C@@H]1CN(C(=O)NCc2ccccc2C[NH+]2CCCC2)C[C@@H](c2ccsc2)O1 ZINC000177114572 823374681 /nfs/dbraw/zinc/37/46/81/823374681.db2.gz YUFQZSUSZINBPQ-UTKZUKDTSA-N 1 0 399.560 4.016 20 0 GIADRO CC(C)c1ccc(-c2noc(CCC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)n2)cc1 ZINC000023456577 818943024 /nfs/dbraw/zinc/94/30/24/818943024.db2.gz RVKKYBHXZCETSX-UHFFFAOYSA-N 1 0 398.551 4.218 20 0 GIADRO COc1ccc(CC[C@H](C)[NH2+]CCCS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000572650261 823375420 /nfs/dbraw/zinc/37/54/20/823375420.db2.gz WQWXQZCKSUOPSA-INIZCTEOSA-N 1 0 395.952 4.123 20 0 GIADRO Cc1ccccc1NCCC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000058295745 823375691 /nfs/dbraw/zinc/37/56/91/823375691.db2.gz FBFFZCRBGKNFDF-HXUWFJFHSA-N 1 0 379.548 4.488 20 0 GIADRO COc1ccc2cc(C(=O)NC[C@@H](c3cccs3)[NH+]3CCCC3)ccc2c1 ZINC000023554742 818958408 /nfs/dbraw/zinc/95/84/08/818958408.db2.gz CLPXLTZJIGPTGK-FQEVSTJZSA-N 1 0 380.513 4.477 20 0 GIADRO C[C@H]1C[C@@H](NC(=O)Nc2c(F)cc(F)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000177121777 823376462 /nfs/dbraw/zinc/37/64/62/823376462.db2.gz JVHFDCHKQPGRJQ-BBRMVZONSA-N 1 0 377.410 4.279 20 0 GIADRO Cc1ccc([C@@H](OC[C@@H](O)C[NH2+][C@@H](C)c2ccccn2)c2ccccc2)cc1 ZINC000023675517 818972446 /nfs/dbraw/zinc/97/24/46/818972446.db2.gz GZZKXZKCZZJMBE-APTRMMRNSA-N 1 0 376.500 4.208 20 0 GIADRO COc1cc(C(C)=O)ccc1OC[C@H](O)C[NH2+][C@H](C)c1cccc2ccccc21 ZINC000023676568 818972620 /nfs/dbraw/zinc/97/26/20/818972620.db2.gz LLHUAVIWRYPCFH-OXQOHEQNSA-N 1 0 393.483 4.142 20 0 GIADRO CC[C@@H]([NH2+]C[C@@H](O)COc1ccc(C(C)=O)cc1OC)c1ccc(Cl)cc1 ZINC000023677876 818972989 /nfs/dbraw/zinc/97/29/89/818972989.db2.gz LXHPIQXRVKGDRV-RTBURBONSA-N 1 0 391.895 4.032 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000023689152 818974435 /nfs/dbraw/zinc/97/44/35/818974435.db2.gz LFCFUUIHFQJVED-UHFFFAOYSA-N 1 0 377.410 4.018 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)/C=C/c1ccccc1Cl)[NH+]1CCCC1 ZINC000023694369 818975313 /nfs/dbraw/zinc/97/53/13/818975313.db2.gz OKTSUGFCNLUPML-DRUFCSCSSA-N 1 0 384.907 4.315 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)c1cc(F)c(F)cc1Cl)[NH+]1CCCC1 ZINC000023713929 818975816 /nfs/dbraw/zinc/97/58/16/818975816.db2.gz CYVLCOYAGLHDLY-SFHVURJKSA-N 1 0 394.849 4.194 20 0 GIADRO COc1ccc2cc(C(=O)NC[C@@H](c3ccccc3)[NH+]3CCCC3)c(C)nc2c1 ZINC000023741829 818977820 /nfs/dbraw/zinc/97/78/20/818977820.db2.gz VTHVOOHCNLCBFO-QHCPKHFHSA-N 1 0 389.499 4.119 20 0 GIADRO COc1cccc(C[N@H+](C)CCCc2cncn2C)c1OCc1ccccc1F ZINC000572659266 823377660 /nfs/dbraw/zinc/37/76/60/823377660.db2.gz AHZQROCEAOYFKR-UHFFFAOYSA-N 1 0 397.494 4.211 20 0 GIADRO C[C@@H]([NH2+]C1(CNC(=O)CCCc2nc(C3CC3)no2)CCCC1)c1ccccc1 ZINC000122625532 823383870 /nfs/dbraw/zinc/38/38/70/823383870.db2.gz QXOPQARQNIRTKN-QGZVFWFLSA-N 1 0 396.535 4.050 20 0 GIADRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)Cc1csc(-c2ccc(C)o2)n1)c1ccco1 ZINC000572673767 823380036 /nfs/dbraw/zinc/38/00/36/823380036.db2.gz NKQAMAVHVDBOSI-CJNGLKHVSA-N 1 0 387.505 4.093 20 0 GIADRO Clc1ccccc1[C@H](C[NH2+]Cc1cnn(-c2ccccc2)c1)N1CCCC1 ZINC000024082039 819020628 /nfs/dbraw/zinc/02/06/28/819020628.db2.gz SGVGCNSANFUKAI-QFIPXVFZSA-N 1 0 380.923 4.452 20 0 GIADRO Cc1cccc(-c2nc(CC(=O)NCc3ccccc3C[NH+](C)C)cs2)c1 ZINC000024084689 819021012 /nfs/dbraw/zinc/02/10/12/819021012.db2.gz QYLLVLCZAJOQMY-UHFFFAOYSA-N 1 0 379.529 4.039 20 0 GIADRO Cc1cccc(Nc2ccccc2C(=O)N2CCN(c3cc[nH+]cc3)CC2)c1C ZINC000024086651 819021818 /nfs/dbraw/zinc/02/18/18/819021818.db2.gz TWAYBFVWCIKHTK-UHFFFAOYSA-N 1 0 386.499 4.404 20 0 GIADRO CN1CC[C@H]([NH2+]Cc2ncc(Br)s2)[C@H]1c1ccc(Cl)cc1 ZINC000572676716 823380605 /nfs/dbraw/zinc/38/06/05/823380605.db2.gz HYZYGEWFZAXWNA-SWLSCSKDSA-N 1 0 386.746 4.094 20 0 GIADRO COc1ccccc1SCC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000122611060 823381034 /nfs/dbraw/zinc/38/10/34/823381034.db2.gz YXSIMHVVISCODB-UHFFFAOYSA-N 1 0 384.545 4.090 20 0 GIADRO Cc1ccccc1CNC(=O)CNc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000024239375 819038771 /nfs/dbraw/zinc/03/87/71/819038771.db2.gz OQTQQSSEMRZIBE-UHFFFAOYSA-N 1 0 379.548 4.488 20 0 GIADRO CC[C@@H]([NH2+]CC(=O)N[C@H](C)c1cc(OC)ccc1OC)c1ccc(Cl)cc1 ZINC000024254631 819039387 /nfs/dbraw/zinc/03/93/87/819039387.db2.gz RFDXVRNZQRGHGM-AUUYWEPGSA-N 1 0 390.911 4.275 20 0 GIADRO COc1ccc(C(=O)Nc2cccc(C[NH2+]CCc3nc(C)c(C)s3)c2)cc1 ZINC000122614533 823382011 /nfs/dbraw/zinc/38/20/11/823382011.db2.gz KOVYKBWWDLQYNK-UHFFFAOYSA-N 1 0 395.528 4.353 20 0 GIADRO C[C@H]([NH2+]Cc1cccc2c1OCCCO2)[C@H](OC1CCOCC1)c1ccccc1 ZINC000122616518 823382219 /nfs/dbraw/zinc/38/22/19/823382219.db2.gz UEKMRMYPEQLANG-MBSDFSHPSA-N 1 0 397.515 4.263 20 0 GIADRO COc1cc(C[N@H+](C)Cn2cnc3cc(F)c(F)cc32)ccc1OC(F)F ZINC000024374018 819052406 /nfs/dbraw/zinc/05/24/06/819052406.db2.gz WNUFRTMYQPRMQS-UHFFFAOYSA-N 1 0 383.345 4.014 20 0 GIADRO Cc1ccc2cc(C[NH2+][C@@H](C)c3ccc(OCC(=O)NC4CC4)cc3)ccc2n1 ZINC000189261719 823382750 /nfs/dbraw/zinc/38/27/50/823382750.db2.gz XMJHVVIIINYVGF-KRWDZBQOSA-N 1 0 389.499 4.051 20 0 GIADRO CCCOc1ccc(C[NH2+][C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)c(C)c1 ZINC000189271150 823384247 /nfs/dbraw/zinc/38/42/47/823384247.db2.gz LJPRLQAXQZUKNH-OAHLLOKOSA-N 1 0 379.497 4.177 20 0 GIADRO CC[N@H+](CC1(SC)CCC1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000572688314 823383033 /nfs/dbraw/zinc/38/30/33/823383033.db2.gz HQBKGPUJSSRWBM-UHFFFAOYSA-N 1 0 376.614 4.485 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)CCC(=O)c2ccc(Cl)cc2)CC1 ZINC000058399606 823386095 /nfs/dbraw/zinc/38/60/95/823386095.db2.gz RZNUGUSATYKMMW-UHFFFAOYSA-N 1 0 398.934 4.392 20 0 GIADRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+]Cc3ccc(Cl)cc3F)cc2)C[C@H](C)O1 ZINC000189282437 823386269 /nfs/dbraw/zinc/38/62/69/823386269.db2.gz CVXZLUCDZDLLBP-GASCZTMLSA-N 1 0 390.886 4.018 20 0 GIADRO O[C@H](C[N@H+](Cc1ccccc1)Cc1cncc(Br)c1)c1ccco1 ZINC000177157333 823386407 /nfs/dbraw/zinc/38/64/07/823386407.db2.gz ZCAKUTRBDJPQHI-GOSISDBHSA-N 1 0 387.277 4.173 20 0 GIADRO Fc1ccc2c(C3CC[NH+](Cc4ccc(-n5ccnc5)nc4)CC3)c[nH]c2c1 ZINC000177159110 823386621 /nfs/dbraw/zinc/38/66/21/823386621.db2.gz XVLXGUNAVBTMHH-UHFFFAOYSA-N 1 0 375.451 4.267 20 0 GIADRO CC(C)(C)c1ccc(/C=C/C(=O)NC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000058413556 823387284 /nfs/dbraw/zinc/38/72/84/823387284.db2.gz IDLAFRPUIJOPFV-FMIVXFBMSA-N 1 0 377.532 4.173 20 0 GIADRO COc1ccc(NC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)c(OC)c1 ZINC000058414265 823387591 /nfs/dbraw/zinc/38/75/91/823387591.db2.gz ZRUHZPHNJABXEA-UHFFFAOYSA-N 1 0 397.519 4.402 20 0 GIADRO Cc1ccccc1[C@H](OC[C@H](O)C[NH2+]CC[C@@H]1CCO[C@H](C)C1)c1ccccc1 ZINC000572715194 823387696 /nfs/dbraw/zinc/38/76/96/823387696.db2.gz UUNUVTPXUCVLQH-AFFJLAOCSA-N 1 0 397.559 4.257 20 0 GIADRO C[NH+](C)Cc1cccc(C(=O)N2CCC[C@H](COc3ccccc3Cl)C2)c1 ZINC000122650443 823388057 /nfs/dbraw/zinc/38/80/57/823388057.db2.gz KRLGEOFXFIGVPH-SFHVURJKSA-N 1 0 386.923 4.333 20 0 GIADRO COc1cccc([C@@H](C)C(=O)N[C@@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)c1 ZINC000410101588 823391990 /nfs/dbraw/zinc/39/19/90/823391990.db2.gz KWSSZZPEHLJBBB-JPYJTQIMSA-N 1 0 394.559 4.388 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)C(C)(C)Sc2ccc(Br)cc2)CC[N@@H+]1C ZINC000122674299 823392010 /nfs/dbraw/zinc/39/20/10/823392010.db2.gz BAEWZARZXMDHBS-ZFWWWQNUSA-N 1 0 399.398 4.261 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)NCC2CCC(F)(F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000410102378 823392143 /nfs/dbraw/zinc/39/21/43/823392143.db2.gz BVLMOEKNVJTRBG-APWZRJJASA-N 1 0 379.495 4.164 20 0 GIADRO CC(C)(C(=O)Nc1ccc(OCC[NH3+])cc1)c1csc(-c2cccs2)n1 ZINC000572750000 823392456 /nfs/dbraw/zinc/39/24/56/823392456.db2.gz BCDKYMYQZPOSHS-UHFFFAOYSA-N 1 0 387.530 4.125 20 0 GIADRO C[NH+]1CCC(CCNC(=O)C2(c3cc(C(F)(F)F)ccc3Cl)CC2)CC1 ZINC000189317329 823392699 /nfs/dbraw/zinc/39/26/99/823392699.db2.gz MCHFSKBEARNXTQ-UHFFFAOYSA-N 1 0 388.861 4.239 20 0 GIADRO COc1ccc2[nH]c(C(=O)NC[C@H]3CCC[N@H+](C)[C@H]3c3cccs3)cc2c1 ZINC000189323499 823393991 /nfs/dbraw/zinc/39/39/91/823393991.db2.gz JEIUWECSDPDPMV-JLTOFOAXSA-N 1 0 383.517 4.051 20 0 GIADRO Cc1cc(OCCC[C@H](C)[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)ccc1Cl ZINC000572738375 823390946 /nfs/dbraw/zinc/39/09/46/823390946.db2.gz BFQHBZOFUYMYLB-WFXMLNOXSA-N 1 0 395.971 4.353 20 0 GIADRO CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H](CO)c2cccc(Cl)c2F)cc1 ZINC000410099757 823391170 /nfs/dbraw/zinc/39/11/70/823391170.db2.gz MOPCBXNGUCGCMZ-IBGZPJMESA-N 1 0 392.902 4.174 20 0 GIADRO Cc1cccc([C@H](C)C(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)c1 ZINC000122671462 823391518 /nfs/dbraw/zinc/39/15/18/823391518.db2.gz NDGXGTVQJWKJAU-PMACEKPBSA-N 1 0 380.532 4.115 20 0 GIADRO Cc1nc(-c2ccc(C(=O)N(C)CCC[N@H+](C)Cc3ccncc3)cc2)cs1 ZINC000572764324 823394446 /nfs/dbraw/zinc/39/44/46/823394446.db2.gz QUMNBGJVIGSRMB-UHFFFAOYSA-N 1 0 394.544 4.108 20 0 GIADRO COc1ccc(-c2ccc(C(=O)N(C)[C@H]3CC[N@H+](C)[C@@H](C)C3)c(F)c2)c(F)c1 ZINC000122688486 823394781 /nfs/dbraw/zinc/39/47/81/823394781.db2.gz VLZXZXRHIWAMJG-HOCLYGCPSA-N 1 0 388.458 4.195 20 0 GIADRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(OCC(F)(F)F)cc2)cc1 ZINC000122691552 823395479 /nfs/dbraw/zinc/39/54/79/823395479.db2.gz XEZIKKISSSESSN-KBPBESRZSA-N 1 0 396.409 4.314 20 0 GIADRO O=C(NCCCn1ccc2ccccc21)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000058467376 823395854 /nfs/dbraw/zinc/39/58/54/823395854.db2.gz BRKDZNVUXIDKEX-FQEVSTJZSA-N 1 0 396.560 4.229 20 0 GIADRO COc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000122697747 823396602 /nfs/dbraw/zinc/39/66/02/823396602.db2.gz XPKYDEBFICDYSL-KGLIPLIRSA-N 1 0 396.409 4.314 20 0 GIADRO C[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000410131604 823398128 /nfs/dbraw/zinc/39/81/28/823398128.db2.gz RIUFXRZLTDQQSF-HFTRVMKXSA-N 1 0 383.458 4.140 20 0 GIADRO C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000410130963 823398320 /nfs/dbraw/zinc/39/83/20/823398320.db2.gz AQDOSQJAFWGPJB-ABAIWWIYSA-N 1 0 387.332 4.241 20 0 GIADRO COc1ccc(Cn2cc(NC3CC[NH+]([C@@H]4CCC[C@H](C)C4)CC3)cn2)cc1 ZINC000572786891 823398387 /nfs/dbraw/zinc/39/83/87/823398387.db2.gz VKSRHDNQFWOBJK-PGRDOPGGSA-N 1 0 382.552 4.395 20 0 GIADRO Cc1nc2ccc(C[NH+]3CCC(C(=O)Nc4ccccc4O)CC3)cc2s1 ZINC000572791313 823399404 /nfs/dbraw/zinc/39/94/04/823399404.db2.gz MLQWQBOXLVODIO-UHFFFAOYSA-N 1 0 381.501 4.161 20 0 GIADRO C[C@H]([NH2+]C[C@H](c1ccccc1Cl)N1CCOCC1)c1ccnc(Cl)c1 ZINC000122720689 823399896 /nfs/dbraw/zinc/39/98/96/823399896.db2.gz PYAVSHXGJGDZSD-KBXCAEBGSA-N 1 0 380.319 4.113 20 0 GIADRO CCC[N@@H+](Cc1nnc(-c2ccccc2Cl)o1)C[C@@H](O)Cc1ccccc1 ZINC000177211197 823400343 /nfs/dbraw/zinc/40/03/43/823400343.db2.gz USWHBKYXVYPYSM-KRWDZBQOSA-N 1 0 385.895 4.206 20 0 GIADRO CC(C)C(=O)NCCC[NH2+][C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000572797100 823400492 /nfs/dbraw/zinc/40/04/92/823400492.db2.gz HOOJFCDULMCCLL-QGZVFWFLSA-N 1 0 392.341 4.060 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(C(=O)N2CCCCC2)c1)c1ccccc1-n1cccn1 ZINC000177213345 823400959 /nfs/dbraw/zinc/40/09/59/823400959.db2.gz GHJQHTSPDSEIDV-IBGZPJMESA-N 1 0 388.515 4.349 20 0 GIADRO COc1ccccc1C[C@@H]1CCC[N@@H+]1CC(=O)N(C)[C@H](C)c1ccc(F)cc1 ZINC000058525551 823403774 /nfs/dbraw/zinc/40/37/74/823403774.db2.gz JRRBOTSVEHEBOM-UTKZUKDTSA-N 1 0 384.495 4.061 20 0 GIADRO C[C@H](NC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C)c1ccc(C(F)(F)F)cc1 ZINC000410145514 823401274 /nfs/dbraw/zinc/40/12/74/823401274.db2.gz MLGMNXPYFADDND-HNAYVOBHSA-N 1 0 393.453 4.239 20 0 GIADRO Cc1nc(-c2ccccn2)sc1C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000058505560 823401357 /nfs/dbraw/zinc/40/13/57/823401357.db2.gz JYMIFDKNTWGOES-UHFFFAOYSA-N 1 0 398.576 4.242 20 0 GIADRO C[N@@H+]1CC[C@@H](CNC(=O)c2cc3sccc3[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000189363718 823401415 /nfs/dbraw/zinc/40/14/15/823401415.db2.gz CVMCETMXMFZCSO-SGTLLEGYSA-N 1 0 391.899 4.445 20 0 GIADRO CC[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(OC)cc1OC ZINC000058523885 823403831 /nfs/dbraw/zinc/40/38/31/823403831.db2.gz JUSTVTRULBUBJN-CTNGQTDRSA-N 1 0 382.504 4.301 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@@H](C)c2ccccc2-n2cccn2)cc(OC)c1OC ZINC000177219824 823402413 /nfs/dbraw/zinc/40/24/13/823402413.db2.gz NWGLFFBBZGPQGD-CVEARBPZSA-N 1 0 381.476 4.310 20 0 GIADRO CN1CCC(CNC(=O)C(C)(C)CCCc2ccccc2)([NH+]2CCCCC2)CC1 ZINC000460483600 823404058 /nfs/dbraw/zinc/40/40/58/823404058.db2.gz RPJQEWNAJQAGRX-UHFFFAOYSA-N 1 0 399.623 4.102 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)Nc1ccc(-c2ccccn2)cc1 ZINC000572805267 823402624 /nfs/dbraw/zinc/40/26/24/823402624.db2.gz KEVLEMBNSZRTQH-FQEVSTJZSA-N 1 0 376.460 4.300 20 0 GIADRO CCOC(=O)N1CCC([C@H](C)[NH2+]Cc2csc(-c3cccs3)n2)CC1 ZINC000189372325 823402853 /nfs/dbraw/zinc/40/28/53/823402853.db2.gz AYKXGANONXRSKW-ZDUSSCGKSA-N 1 0 379.551 4.218 20 0 GIADRO COCCC1(C[NH2+]CCCc2nc(-c3ccc(F)cc3)no2)CCCCC1 ZINC000189400903 823408537 /nfs/dbraw/zinc/40/85/37/823408537.db2.gz LKMSWTDNFYXVKJ-UHFFFAOYSA-N 1 0 375.488 4.385 20 0 GIADRO COc1cccc([C@H](CNC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)[NH+](C)C)c1 ZINC000410156953 823405049 /nfs/dbraw/zinc/40/50/49/823405049.db2.gz VNDKLFQCOCQTCM-GCJKJVERSA-N 1 0 398.547 4.313 20 0 GIADRO O=C(NCc1cccc(F)c1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000410158714 823405294 /nfs/dbraw/zinc/40/52/94/823405294.db2.gz JKORCWXZVHHTMH-UHFFFAOYSA-N 1 0 377.463 4.006 20 0 GIADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)cc1 ZINC000177247518 823408947 /nfs/dbraw/zinc/40/89/47/823408947.db2.gz CPYLHNDXIDPHTA-KSFYIVLOSA-N 1 0 398.503 4.174 20 0 GIADRO C[C@@H]([NH2+]CCCN1CCc2ccccc2C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000122767415 823408680 /nfs/dbraw/zinc/40/86/80/823408680.db2.gz UVUSEBUWEXPCQT-QGZVFWFLSA-N 1 0 377.532 4.015 20 0 GIADRO CC[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000058539291 823406208 /nfs/dbraw/zinc/40/62/08/823406208.db2.gz CLKMWMMHTZUZJW-LEWJYISDSA-N 1 0 391.475 4.469 20 0 GIADRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)c1cnc(-c2ccccc2F)s1 ZINC000572827805 823406270 /nfs/dbraw/zinc/40/62/70/823406270.db2.gz JDQWYTZXCFBQAO-UHFFFAOYSA-N 1 0 387.480 4.136 20 0 GIADRO Fc1ccc(Cn2cc(C[NH2+][C@@H]3CCO[C@@H]3c3ccc(Cl)cc3)cn2)cc1 ZINC000189387794 823406285 /nfs/dbraw/zinc/40/62/85/823406285.db2.gz AWTBNCMLQXCNED-NHCUHLMSSA-N 1 0 385.870 4.344 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(F)c(F)c1F ZINC000177241309 823407993 /nfs/dbraw/zinc/40/79/93/823407993.db2.gz CTSPBYKWKDCDLA-INIZCTEOSA-N 1 0 376.422 4.088 20 0 GIADRO Clc1cccc(Cl)c1-c1nnc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)o1 ZINC000572838561 823408083 /nfs/dbraw/zinc/40/80/83/823408083.db2.gz CODNQKHVWNYADT-DOMZBBRYSA-N 1 0 382.291 4.434 20 0 GIADRO CSC1(CNC(=O)N[C@H](c2cccc(F)c2)C(C)(C)C)CC[NH+](C)CC1 ZINC000460499132 823408872 /nfs/dbraw/zinc/40/88/72/823408872.db2.gz SCESRGHIWGCEKQ-QGZVFWFLSA-N 1 0 381.561 4.040 20 0 GIADRO COCCc1ccccc1NC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000189399586 823408166 /nfs/dbraw/zinc/40/81/66/823408166.db2.gz BWHMFJBCHYQHJP-UHFFFAOYSA-N 1 0 396.535 4.041 20 0 GIADRO CCCN(CC[NH+]1CCCC1)C(=O)c1ccc(NC(=O)c2cccs2)c(C)c1 ZINC000572847141 823408446 /nfs/dbraw/zinc/40/84/46/823408446.db2.gz VCOVMBUDSLZOLF-UHFFFAOYSA-N 1 0 399.560 4.257 20 0 GIADRO COCCc1ccccc1NC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000189413858 823411027 /nfs/dbraw/zinc/41/10/27/823411027.db2.gz XSCQPSNFYUDYLD-LJQANCHMSA-N 1 0 381.520 4.004 20 0 GIADRO Cc1ccc2cc(C[NH2+][C@H](c3ccc(Cl)cc3)[C@@H]3CN(C)CCO3)ccc2n1 ZINC000189415330 823411309 /nfs/dbraw/zinc/41/13/09/823411309.db2.gz IMIFNBRLIAVPMI-XZOQPEGZSA-N 1 0 395.934 4.358 20 0 GIADRO C[C@@H]([NH2+]Cc1cnn(-c2ccccc2)c1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000122783319 823411489 /nfs/dbraw/zinc/41/14/89/823411489.db2.gz QQAXWSVOKPCITL-NTKDMRAZSA-N 1 0 391.515 4.287 20 0 GIADRO Cc1ccc2cc(C[NH2+][C@H](c3ccc(Cl)cc3)[C@H]3CN(C)CCO3)ccc2n1 ZINC000189415373 823411423 /nfs/dbraw/zinc/41/14/23/823411423.db2.gz IMIFNBRLIAVPMI-DHIUTWEWSA-N 1 0 395.934 4.358 20 0 GIADRO COCCc1ccccc1NC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000189419855 823412210 /nfs/dbraw/zinc/41/22/10/823412210.db2.gz OEEFIRWSGRWOLH-UHFFFAOYSA-N 1 0 381.520 4.183 20 0 GIADRO Cc1cccn2cc(COc3ccccc3-c3nc([C@H]([NH3+])CC(C)C)no3)nc12 ZINC000572878596 823412883 /nfs/dbraw/zinc/41/28/83/823412883.db2.gz SUSOOKNQZOCHPR-GOSISDBHSA-N 1 0 391.475 4.318 20 0 GIADRO [NH3+]CCCn1ccc2cc(C(=O)N3CCC(c4cccc(F)c4F)CC3)ccc21 ZINC000572882651 823413278 /nfs/dbraw/zinc/41/32/78/823413278.db2.gz MTTJZNNHEKLJMS-UHFFFAOYSA-N 1 0 397.469 4.288 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCc3cc4ccccc4[nH]3)cc2)C1 ZINC000058562458 823410080 /nfs/dbraw/zinc/41/00/80/823410080.db2.gz NPFSTNZFMQUEER-GOSISDBHSA-N 1 0 390.531 4.399 20 0 GIADRO O=C1c2ccccc2C(=O)N1C1CCC([NH2+]Cc2ccc(C(F)F)cc2)CC1 ZINC000189409740 823410086 /nfs/dbraw/zinc/41/00/86/823410086.db2.gz JHRYQVSGPVOMKE-UHFFFAOYSA-N 1 0 384.426 4.321 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)c2csc(C(F)(F)F)n2)CC[N@@H+]1Cc1ccccc1 ZINC000189411008 823410368 /nfs/dbraw/zinc/41/03/68/823410368.db2.gz REZRVVVBQKGSMA-UKRRQHHQSA-N 1 0 397.466 4.287 20 0 GIADRO Cc1cccn2cc(COc3ccc(C[N@@H+]4CCC[C@]4(C)CCCO)cc3)nc12 ZINC000572887692 823414451 /nfs/dbraw/zinc/41/44/51/823414451.db2.gz XVQBIKYOOHHBQF-XMMPIXPASA-N 1 0 393.531 4.349 20 0 GIADRO COc1ccc2[nH]cc(C3CC[NH+](Cc4ccc(-n5ccnc5)nc4)CC3)c2c1 ZINC000177264865 823414453 /nfs/dbraw/zinc/41/44/53/823414453.db2.gz ANFGZEOMDIIAFJ-UHFFFAOYSA-N 1 0 387.487 4.137 20 0 GIADRO COc1ccc(C[NH2+][C@H](C)[C@H](OC2CCOCC2)c2ccccc2)cc1OC ZINC000122802189 823414608 /nfs/dbraw/zinc/41/46/08/823414608.db2.gz WKRKDAZAUNPNFJ-HXOBKFHXSA-N 1 0 385.504 4.119 20 0 GIADRO C[C@H]([NH2+]CCCNC(=O)c1ccc(F)cc1)c1cccc(Br)c1 ZINC000410204308 823419196 /nfs/dbraw/zinc/41/91/96/823419196.db2.gz AYHWVTKTSPXQNX-ZDUSSCGKSA-N 1 0 379.273 4.059 20 0 GIADRO CC(C)c1nn(C)c2sc(C(=O)NC3CC[NH+](C4CCCCC4)CC3)cc12 ZINC000177271971 823416735 /nfs/dbraw/zinc/41/67/35/823416735.db2.gz HJMMYEJMMKLKNV-UHFFFAOYSA-N 1 0 388.581 4.285 20 0 GIADRO O=C(NCc1ccc(F)cc1C(F)(F)F)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000410199796 823417574 /nfs/dbraw/zinc/41/75/74/823417574.db2.gz QPYVRRUUNRAZLC-INIZCTEOSA-N 1 0 399.388 4.074 20 0 GIADRO Cc1nc(CC[NH2+]CC2=Cc3cc(Br)ccc3OC2)sc1C ZINC000122823219 823418734 /nfs/dbraw/zinc/41/87/34/823418734.db2.gz LJIFZJBUYNUORZ-UHFFFAOYSA-N 1 0 379.323 4.131 20 0 GIADRO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CCc1ccc(F)cc1F ZINC000572915181 823418799 /nfs/dbraw/zinc/41/87/99/823418799.db2.gz JZIZKQSBXAHIHH-CQSZACIVSA-N 1 0 380.866 4.188 20 0 GIADRO Cc1c[nH+]ccc1N1CCC(C(=O)Nc2cn(C)nc2C2CCCCC2)CC1 ZINC000572932032 823422405 /nfs/dbraw/zinc/42/24/05/823422405.db2.gz KTIYXPSVMSIJJC-UHFFFAOYSA-N 1 0 381.524 4.026 20 0 GIADRO Cc1nc(NC(=O)N2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)oc1C ZINC000572933341 823422781 /nfs/dbraw/zinc/42/27/81/823422781.db2.gz MQSSLEFSOCKYKQ-FQEVSTJZSA-N 1 0 396.535 4.446 20 0 GIADRO Fc1ccc(-c2nc(C[NH2+]CC3CCN(CC(F)(F)F)CC3)cs2)cc1 ZINC000189469760 823423959 /nfs/dbraw/zinc/42/39/59/823423959.db2.gz NWHNWYSRIQVLJD-UHFFFAOYSA-N 1 0 387.446 4.313 20 0 GIADRO Cc1cc(CNC(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)ccc1-c1ccccc1 ZINC000189469319 823424016 /nfs/dbraw/zinc/42/40/16/823424016.db2.gz LXDKFHHZKNDHFO-HSZRJFAPSA-N 1 0 380.532 4.071 20 0 GIADRO Cc1ccc(-c2ncc(C[NH2+]CC3CCN(CC(F)(F)F)CC3)s2)cc1 ZINC000189469148 823424050 /nfs/dbraw/zinc/42/40/50/823424050.db2.gz NPICAFSRDRYVND-UHFFFAOYSA-N 1 0 383.483 4.482 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)N2CC[C@H](c3ccccc3)[C@H]2C)CC1 ZINC000177283445 823420638 /nfs/dbraw/zinc/42/06/38/823420638.db2.gz WULHJMHNISIDDC-CTNGQTDRSA-N 1 0 392.547 4.238 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000177283358 823420666 /nfs/dbraw/zinc/42/06/66/823420666.db2.gz GISQLYMCHPYEPG-SIKLNZKXSA-N 1 0 392.547 4.157 20 0 GIADRO Cc1ccc(C[C@H](C)NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000460528935 823420829 /nfs/dbraw/zinc/42/08/29/823420829.db2.gz NUMQITCJZKCZFX-YYWHXJBOSA-N 1 0 397.588 4.151 20 0 GIADRO O=C(Nc1ccccc1)[C@H]1CCC[N@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000122890142 823429321 /nfs/dbraw/zinc/42/93/21/823429321.db2.gz ANWFEBOYXNOCNO-IBGZPJMESA-N 1 0 388.471 4.120 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)Cc1ccc(F)c(Br)c1 ZINC000177300736 823426153 /nfs/dbraw/zinc/42/61/53/823426153.db2.gz YATRUNWBXDTZGD-UHFFFAOYSA-N 1 0 379.273 4.139 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CC[C@H](c2cccnc2)C1 ZINC000572956251 823426596 /nfs/dbraw/zinc/42/65/96/823426596.db2.gz QOCOTJBSJYWFGK-XXBNENTESA-N 1 0 392.547 4.155 20 0 GIADRO COc1cccc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)c1OC(F)F ZINC000122871593 823426825 /nfs/dbraw/zinc/42/68/25/823426825.db2.gz DDJGUCRKHUGOEZ-MRXNPFEDSA-N 1 0 390.430 4.147 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)N(CCC(F)(F)F)CC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000177304619 823427267 /nfs/dbraw/zinc/42/72/67/823427267.db2.gz LKNMIHHJSMFJBR-VQIMIIECSA-N 1 0 397.485 4.414 20 0 GIADRO Cc1ccc(-c2cc(C(=O)N(Cc3ccco3)C3CC[NH+](C)CC3)[nH]n2)c(C)c1 ZINC000189483030 823427451 /nfs/dbraw/zinc/42/74/51/823427451.db2.gz LHHUWOBGUXDSJN-UHFFFAOYSA-N 1 0 392.503 4.023 20 0 GIADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(C)(C)Cc3ccc(C(F)(F)F)cc3)CC[C@@H]21 ZINC000189487217 823428150 /nfs/dbraw/zinc/42/81/50/823428150.db2.gz ONZUCUFTMYCKKF-AEFFLSMTSA-N 1 0 382.470 4.217 20 0 GIADRO CC(C)(C)OC(=O)N1CC=C(C[NH2+]Cc2c(F)cccc2N2CCCC2)CC1 ZINC000189488425 823428326 /nfs/dbraw/zinc/42/83/26/823428326.db2.gz RUYYBRQWMKRAHR-UHFFFAOYSA-N 1 0 389.515 4.083 20 0 GIADRO CC[C@@H](CNC(=O)N(C)[C@@H](CC)c1ccncc1)[N@@H+]1CCc2ccccc2C1 ZINC000122882160 823428420 /nfs/dbraw/zinc/42/84/20/823428420.db2.gz BKCVKKTYVGHBKZ-VXKWHMMOSA-N 1 0 380.536 4.011 20 0 GIADRO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@H]1COCc2ccccc21 ZINC000572975556 823429004 /nfs/dbraw/zinc/42/90/04/823429004.db2.gz QOTSRLCLWVXLCR-ACJLOTCBSA-N 1 0 378.394 4.284 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)Nc2ccc(CCSC)cc2)cc1 ZINC000189492322 823429786 /nfs/dbraw/zinc/42/97/86/823429786.db2.gz IZDGNUKPHVUVGB-UHFFFAOYSA-N 1 0 399.560 4.011 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ncc(-c2cccc(Br)c2)o1 ZINC000177314922 823430411 /nfs/dbraw/zinc/43/04/11/823430411.db2.gz LEHUBJUYOPUZJO-SJORKVTESA-N 1 0 390.325 4.163 20 0 GIADRO C[C@@H]1C[C@H]1[C@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)c1ccc(Cl)cc1 ZINC000460555474 823430747 /nfs/dbraw/zinc/43/07/47/823430747.db2.gz FJYMOWXZFAMPDE-OZOXKJRCSA-N 1 0 390.955 4.188 20 0 GIADRO C[C@@H]([NH2+]CCCC(=O)N1Cc2ccccc2C1)c1ccc(Br)cc1 ZINC000177326425 823434504 /nfs/dbraw/zinc/43/45/04/823434504.db2.gz DYVKNSRNWSZDEM-OAHLLOKOSA-N 1 0 387.321 4.422 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)NCCOc1ccc(Cl)cc1 ZINC000058687061 823430905 /nfs/dbraw/zinc/43/09/05/823430905.db2.gz WCCXORXOZYEEEX-UHFFFAOYSA-N 1 0 389.927 4.060 20 0 GIADRO C/C=C\c1ccc(OC[C@H](O)CNc2ccc3c(c2)CC[C@H]3[NH+](C)C)c(OC)c1 ZINC000572993841 823431008 /nfs/dbraw/zinc/43/10/08/823431008.db2.gz ZEINXDYXHFRZRN-YMVRMMIPSA-N 1 0 396.531 4.129 20 0 GIADRO CCS[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cc2c(cc1Cl)OCCCO2 ZINC000189505514 823433011 /nfs/dbraw/zinc/43/30/11/823433011.db2.gz RQCWYXKGUDCSCV-KBXCAEBGSA-N 1 0 398.956 4.094 20 0 GIADRO Cc1[nH]c2ccccc2c1CC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000024630778 819857352 /nfs/dbraw/zinc/85/73/52/819857352.db2.gz IPIGYPQGGOFRJS-UHFFFAOYSA-N 1 0 375.516 4.321 20 0 GIADRO Cc1cc(C(=O)CCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c(C)s1 ZINC000024649007 819859201 /nfs/dbraw/zinc/85/92/01/819859201.db2.gz OZEUIULFHVMXOP-UHFFFAOYSA-N 1 0 384.545 4.240 20 0 GIADRO Fc1ccc(-c2noc(C[N@@H+]3CCC[C@H](c4nc5ccccc5o4)C3)n2)cc1 ZINC000024665224 819861627 /nfs/dbraw/zinc/86/16/27/819861627.db2.gz UJYYTHBBHCGDKP-HNNXBMFYSA-N 1 0 378.407 4.397 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)Nc2ccc(Oc3cccnc3)cc2)cc1F ZINC000573013172 823433734 /nfs/dbraw/zinc/43/37/34/823433734.db2.gz CDLHXHHAXKCSPM-UHFFFAOYSA-N 1 0 394.450 4.396 20 0 GIADRO Cc1c(C(=O)Nc2cc(C[NH+](C)C)ccc2C)cnn1-c1cccc(Cl)c1 ZINC000177324795 823434192 /nfs/dbraw/zinc/43/41/92/823434192.db2.gz KETNRYNYUPOTMP-UHFFFAOYSA-N 1 0 382.895 4.456 20 0 GIADRO CCCCc1ccc(N2C[C@H](C(=O)Nc3ccccc3C[NH+](C)C)CC2=O)cc1 ZINC000024808470 819879599 /nfs/dbraw/zinc/87/95/99/819879599.db2.gz DCBCVWRFBNEEMB-HXUWFJFHSA-N 1 0 393.531 4.082 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)Nc1c2c(cc3c1CCC3)CCC2 ZINC000573023800 823435291 /nfs/dbraw/zinc/43/52/91/823435291.db2.gz BTMXWRMXYXJUGB-UHFFFAOYSA-N 1 0 390.531 4.097 20 0 GIADRO O=C(NCC[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1)c1c(F)cccc1F ZINC000177330372 823435704 /nfs/dbraw/zinc/43/57/04/823435704.db2.gz XQZZTQNAMFSETP-NRFANRHFSA-N 1 0 384.401 4.213 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)N1CCc2cc(F)ccc21 ZINC000024973487 819902922 /nfs/dbraw/zinc/90/29/22/819902922.db2.gz BBDMUOGZDPOLIX-UHFFFAOYSA-N 1 0 387.886 4.216 20 0 GIADRO O=C(NCC[NH2+]Cc1cccc(OCc2ccccc2Cl)c1)c1ccco1 ZINC000025054211 819915932 /nfs/dbraw/zinc/91/59/32/819915932.db2.gz CWFYOMDHMMBGCK-UHFFFAOYSA-N 1 0 384.863 4.032 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cccnc2-c2ccc(Cl)s2)CC[N@@H+]1C ZINC000189527754 823437934 /nfs/dbraw/zinc/43/79/34/823437934.db2.gz IAGCXUZIYIETFM-OLZOCXBDSA-N 1 0 378.929 4.410 20 0 GIADRO CCCN(CC[NH+]1CCCCCC1)C(=O)Cc1nc(-c2ccsc2)oc1C ZINC000573042811 823438582 /nfs/dbraw/zinc/43/85/82/823438582.db2.gz JGHRPTKWJOEGCH-UHFFFAOYSA-N 1 0 389.565 4.369 20 0 GIADRO CC(C)CCn1ncc(NC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)c1C(C)C ZINC000573043221 823438998 /nfs/dbraw/zinc/43/89/98/823438998.db2.gz RBHQOXTXJXRHML-FQEVSTJZSA-N 1 0 397.567 4.298 20 0 GIADRO COc1ccc(COC[C@H](O)C[N@@H+]2CCCCC[C@@H]2c2ccc(OC)cc2)cc1 ZINC000025302182 819958015 /nfs/dbraw/zinc/95/80/15/819958015.db2.gz UMLDIVSSHGGGQI-ZJSXRUAMSA-N 1 0 399.531 4.199 20 0 GIADRO COc1cc(CCC2CC[NH+](C[C@@H](O)c3ccc(F)cc3)CC2)cc(OC)c1 ZINC000025307412 819959244 /nfs/dbraw/zinc/95/92/44/819959244.db2.gz PPARGFLTRVDUPQ-HSZRJFAPSA-N 1 0 387.495 4.221 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1cccc(NC(=O)OC(C)(C)C)c1)c1ccsc1 ZINC000025330862 819963788 /nfs/dbraw/zinc/96/37/88/819963788.db2.gz WVBIZIWVXJTPPU-KRWDZBQOSA-N 1 0 389.521 4.128 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1cc(-c2ccc(Cl)cc2)on1)c1ccsc1 ZINC000025331939 819964604 /nfs/dbraw/zinc/96/46/04/819964604.db2.gz OABQFKUGOMKDIW-INIZCTEOSA-N 1 0 375.881 4.089 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1cccnc1Sc1ccccc1)c1ccsc1 ZINC000025332054 819964849 /nfs/dbraw/zinc/96/48/49/819964849.db2.gz BSZJTFCFDXQRSG-GOSISDBHSA-N 1 0 383.542 4.327 20 0 GIADRO COc1cccc([C@@H]2[C@@H](NC(=O)Nc3ccc(OC)cc3C)CC[N@@H+]2C2CC2)c1 ZINC000189552728 823442358 /nfs/dbraw/zinc/44/23/58/823442358.db2.gz XOOXSDOTWGQUAH-FCHUYYIVSA-N 1 0 395.503 4.112 20 0 GIADRO O=C(CC[N@H+]1CCC[C@H]1c1ccc(F)cc1)Nc1ccc(N2CCCC2=O)cc1 ZINC000025445466 819981391 /nfs/dbraw/zinc/98/13/91/819981391.db2.gz XYDKIEUCWFWMQL-NRFANRHFSA-N 1 0 395.478 4.118 20 0 GIADRO CC(C)(CNC(=O)CCCc1c[nH]c2ccccc12)[N@@H+]1CCc2ccccc2C1 ZINC000025460941 819985116 /nfs/dbraw/zinc/98/51/16/819985116.db2.gz SGKQJDAOPACCKF-UHFFFAOYSA-N 1 0 389.543 4.444 20 0 GIADRO CC(C)(CNC(=O)CSCc1ccc(F)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000025459666 819985202 /nfs/dbraw/zinc/98/52/02/819985202.db2.gz CLAPWYMTSHOYRD-UHFFFAOYSA-N 1 0 386.536 4.012 20 0 GIADRO COc1ccc(Cl)cc1NCCC(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000177356889 823444076 /nfs/dbraw/zinc/44/40/76/823444076.db2.gz FMOGTBCOSBKQIC-UHFFFAOYSA-N 1 0 375.900 4.159 20 0 GIADRO C[C@@H](CNC(=O)CCCc1nc2ccccc2s1)[N@@H+]1CCc2ccccc2C1 ZINC000025634530 820008814 /nfs/dbraw/zinc/00/88/14/820008814.db2.gz GBMKEELEVREBIN-KRWDZBQOSA-N 1 0 393.556 4.182 20 0 GIADRO C/C=C/c1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccc(F)c(F)c2)c(OC)c1 ZINC000025664289 820012302 /nfs/dbraw/zinc/01/23/02/820012302.db2.gz NIZLCXPYFYTHCK-PCLVQLBSSA-N 1 0 377.431 4.097 20 0 GIADRO O=C(Nc1ccc(F)cc1)[C@@H]([NH2+]CCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000025697817 820015311 /nfs/dbraw/zinc/01/53/11/820015311.db2.gz SAMOVGYYZPDUMB-QFIPXVFZSA-N 1 0 392.430 4.067 20 0 GIADRO COCCc1ccccc1NC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000189566245 823445624 /nfs/dbraw/zinc/44/56/24/823445624.db2.gz CNEOWYDRGSBXJI-NRFANRHFSA-N 1 0 381.520 4.004 20 0 GIADRO CC(C)(C(=O)N1C[C@@H]([NH3+])Cc2ccccc21)c1csc(-c2cccs2)n1 ZINC000573083446 823445650 /nfs/dbraw/zinc/44/56/50/823445650.db2.gz OWCITSASQYDKKX-AWEZNQCLSA-N 1 0 383.542 4.066 20 0 GIADRO COc1cnccc1[C@H](C)[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000189544962 823440938 /nfs/dbraw/zinc/44/09/38/823440938.db2.gz KEWUTAVJQIJITA-JTQLQIEISA-N 1 0 387.224 4.305 20 0 GIADRO OC[C@H](C[NH2+][C@H](C[C@H]1CCCO1)c1ccc(F)cc1)c1ccccc1Cl ZINC000573100876 823447764 /nfs/dbraw/zinc/44/77/64/823447764.db2.gz KUIXBDDFHHYJJC-YRISNDGFSA-N 1 0 377.887 4.455 20 0 GIADRO CCOCc1nnc(N(CC)[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)n1CC(C)C ZINC000460592716 823447979 /nfs/dbraw/zinc/44/79/79/823447979.db2.gz VDDOSYCUWACKSJ-CTNGQTDRSA-N 1 0 399.583 4.132 20 0 GIADRO Cc1ccc(-c2nnc(N3CCC[C@@H]([NH+]4CCCC4)CC3)n2CC(C)C)s1 ZINC000460594495 823448618 /nfs/dbraw/zinc/44/86/18/823448618.db2.gz FGPHADGBICIYII-GOSISDBHSA-N 1 0 387.597 4.426 20 0 GIADRO c1nc(N2CCOCC2)sc1C[NH2+][C@@H]1CCc2ccc(-c3ccccc3)cc21 ZINC000189576844 823449051 /nfs/dbraw/zinc/44/90/51/823449051.db2.gz NDNQXQUSQLJYKN-JOCHJYFZSA-N 1 0 391.540 4.424 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc3cc(OC)ccc3n2)cc1 ZINC000026075465 820056023 /nfs/dbraw/zinc/05/60/23/820056023.db2.gz XVAKPRMZUFBHCU-UHFFFAOYSA-N 1 0 377.488 4.015 20 0 GIADRO CC(C)(C)Cc1nc(-c2ccc(C(=O)Nc3cccc4c3CC[NH2+]C4)cc2)no1 ZINC000573111145 823449186 /nfs/dbraw/zinc/44/91/86/823449186.db2.gz YREYSBAHSCPZHP-UHFFFAOYSA-N 1 0 390.487 4.223 20 0 GIADRO CC(C)Oc1ccc([C@@H](C)[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)cc1 ZINC000573113238 823449583 /nfs/dbraw/zinc/44/95/83/823449583.db2.gz RRZSWOIIMWVFQC-LSDHHAIUSA-N 1 0 393.325 4.137 20 0 GIADRO COc1ccc(C[NH2+]Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)c(OC)c1 ZINC000189578353 823449679 /nfs/dbraw/zinc/44/96/79/823449679.db2.gz XRNUXMWNVRFFLM-UHFFFAOYSA-N 1 0 398.503 4.244 20 0 GIADRO Cc1cc(C)n(-c2ccc(C[N@@H+](C)Cc3ccc(C(=O)NC4CC4)cc3)cc2)n1 ZINC000026154403 820064723 /nfs/dbraw/zinc/06/47/23/820064723.db2.gz NPAOJAZEQGHUMA-UHFFFAOYSA-N 1 0 388.515 4.013 20 0 GIADRO O=C(NCc1ccc(Cl)s1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000026167960 820066750 /nfs/dbraw/zinc/06/67/50/820066750.db2.gz JJUOAYCRTJNUGN-UHFFFAOYSA-N 1 0 377.941 4.387 20 0 GIADRO C[C@H](CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C)c1c[nH]c2ccccc21 ZINC000573128138 823450833 /nfs/dbraw/zinc/45/08/33/823450833.db2.gz CETIQRGVMWAOAL-KGVIQGDOSA-N 1 0 375.516 4.441 20 0 GIADRO C[NH+](C)CC(C)(C)CNCc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000026304135 820080416 /nfs/dbraw/zinc/08/04/16/820080416.db2.gz FGKUPISDSFYTKN-UHFFFAOYSA-N 1 0 376.548 4.276 20 0 GIADRO CN(C)C1(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)CCCCC1 ZINC000026308130 820080581 /nfs/dbraw/zinc/08/05/81/820080581.db2.gz RHERBINQQKWBQL-UHFFFAOYSA-N 1 0 389.547 4.288 20 0 GIADRO CN1CCN([C@@H](C[NH2+]Cc2ccc(-c3ccccc3F)o2)c2cccs2)CC1 ZINC000026310604 820080823 /nfs/dbraw/zinc/08/08/23/820080823.db2.gz AHJGCYRXMFFCBT-FQEVSTJZSA-N 1 0 399.535 4.226 20 0 GIADRO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H](c2ccco2)N(C)C)o1 ZINC000026306682 820080876 /nfs/dbraw/zinc/08/08/76/820080876.db2.gz HZXOSZOKNXWAPU-HXUWFJFHSA-N 1 0 390.487 4.426 20 0 GIADRO CN(C)[C@H](C[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)c1cccc(F)c1 ZINC000026309762 820080884 /nfs/dbraw/zinc/08/08/84/820080884.db2.gz ZRNUVLREYMASRZ-GOSISDBHSA-N 1 0 378.875 4.033 20 0 GIADRO COc1cc2c(cc1C[NH2+][C@H](c1ccc3c(c1)OCCO3)C(C)C)O[C@@H](C)C2 ZINC000026313000 820081536 /nfs/dbraw/zinc/08/15/36/820081536.db2.gz RUUKDUPDFUVWPB-WNSKOXEYSA-N 1 0 383.488 4.277 20 0 GIADRO Cc1ccccc1CNC(=O)[C@@H](C)[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000026369960 820090803 /nfs/dbraw/zinc/09/08/03/820090803.db2.gz BIIWILSRRXWCGJ-QGZVFWFLSA-N 1 0 393.556 4.489 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000026369171 820090822 /nfs/dbraw/zinc/09/08/22/820090822.db2.gz SQBIQRYUCDBYSY-LSDHHAIUSA-N 1 0 385.895 4.145 20 0 GIADRO C[C@H](NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C)c1ccc(Br)cc1 ZINC000026392414 820093624 /nfs/dbraw/zinc/09/36/24/820093624.db2.gz PZAZBAXJGSHNMR-LRDDRELGSA-N 1 0 396.354 4.174 20 0 GIADRO Cc1ccc([C@H]2OCCC[C@H]2C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000177391197 823452219 /nfs/dbraw/zinc/45/22/19/823452219.db2.gz BALGBFSRMRAEML-PZJWPPBQSA-N 1 0 388.552 4.452 20 0 GIADRO O[C@H]([C@@H]1CC[N@@H+]([C@@H](c2ccc(Cl)cc2)C2CCOCC2)C1)C(F)(F)F ZINC000573134664 823452370 /nfs/dbraw/zinc/45/23/70/823452370.db2.gz PMMXPFOPUNANNJ-HYVNUMGLSA-N 1 0 377.834 4.053 20 0 GIADRO COCC[N@H+](CC(=O)N[C@H](c1cccs1)c1ccc(C)cc1)C1CCCC1 ZINC000026447797 820098178 /nfs/dbraw/zinc/09/81/78/820098178.db2.gz BTKXCIQSXHZOBC-QFIPXVFZSA-N 1 0 386.561 4.153 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H](C)c1cccc(NC(C)=O)c1)CC3 ZINC000123053597 823454115 /nfs/dbraw/zinc/45/41/15/823454115.db2.gz MLKLPVYKTZSHRH-KBXCAEBGSA-N 1 0 377.488 4.343 20 0 GIADRO Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000177403211 823454314 /nfs/dbraw/zinc/45/43/14/823454314.db2.gz JCGVYMKKMYUVHY-SFHVURJKSA-N 1 0 384.568 4.370 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000026620809 820123589 /nfs/dbraw/zinc/12/35/89/820123589.db2.gz ZNCNFZXWRQYMCH-UHFFFAOYSA-N 1 0 378.303 4.306 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)C[NH+](CC(C)C)CC(C)C)c(C(F)(F)F)c1 ZINC000026648239 820128119 /nfs/dbraw/zinc/12/81/19/820128119.db2.gz NKMRNUCCVHWNTA-UHFFFAOYSA-N 1 0 387.446 4.216 20 0 GIADRO O[C@]1(C[NH2+]Cc2ccc(F)cc2Br)CCC[C@@H](C(F)(F)F)C1 ZINC000189601193 823455576 /nfs/dbraw/zinc/45/55/76/823455576.db2.gz SOFRPZZEKWJGAA-BXUZGUMPSA-N 1 0 384.211 4.161 20 0 GIADRO O[C@H](COc1cccc2ccccc21)C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000026715714 820136320 /nfs/dbraw/zinc/13/63/20/820136320.db2.gz JBHSPNZERZRRGX-PMACEKPBSA-N 1 0 397.540 4.322 20 0 GIADRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000573148031 823455615 /nfs/dbraw/zinc/45/56/15/823455615.db2.gz YTPBBCZMHXHMMS-DOPJRALCSA-N 1 0 381.442 4.035 20 0 GIADRO CCOc1cc(C[NH2+]C[C@]2(O)CCC[C@@H](C(F)(F)F)C2)ccc1OC(F)F ZINC000189617113 823459415 /nfs/dbraw/zinc/45/94/15/823459415.db2.gz LPHALHUNDCBYPP-DYVFJYSZSA-N 1 0 397.384 4.260 20 0 GIADRO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@H]1COc1ccc(Cl)cc1 ZINC000026723287 820136862 /nfs/dbraw/zinc/13/68/62/820136862.db2.gz BQUXUHFBMUPAKI-INIZCTEOSA-N 1 0 389.908 4.145 20 0 GIADRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1cc(Br)ccc1Cl ZINC000177412113 823456297 /nfs/dbraw/zinc/45/62/97/823456297.db2.gz XRSBSHSZONOORA-UHFFFAOYSA-N 1 0 385.733 4.239 20 0 GIADRO COC(=O)[C@H](C)[C@@H]([NH2+]Cc1ccc(OCc2ccccn2)cc1)c1ccccc1 ZINC000177412119 823456310 /nfs/dbraw/zinc/45/63/10/823456310.db2.gz XGEHCGSCKRKJPL-WZONZLPQSA-N 1 0 390.483 4.301 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)CSc3ccc(F)cc3)c(C)c2)CC1 ZINC000026909104 820162451 /nfs/dbraw/zinc/16/24/51/820162451.db2.gz CNAQDGCKKBEOKE-UHFFFAOYSA-N 1 0 387.524 4.007 20 0 GIADRO C[C@H](CC(=O)Nc1cccnc1Cl)N[C@@H](c1nccs1)c1ccccc1 ZINC000123074892 823457583 /nfs/dbraw/zinc/45/75/83/823457583.db2.gz YQLFEYABTPKRMD-CXAGYDPISA-N 1 0 386.908 4.288 20 0 GIADRO CCC[N@H+](CCC(=O)Nc1ccccc1Cl)CC(=O)Nc1ccccc1C ZINC000026921488 820164496 /nfs/dbraw/zinc/16/44/96/820164496.db2.gz UNBYLUJMBXDAPS-UHFFFAOYSA-N 1 0 387.911 4.328 20 0 GIADRO O=C(c1ccc(C[NH+]2CCSCC2)cc1)N1CC[C@@H](c2ccccc2F)C1 ZINC000410305842 823457770 /nfs/dbraw/zinc/45/77/70/823457770.db2.gz YWKRBUQHRNIHRE-LJQANCHMSA-N 1 0 384.520 4.004 20 0 GIADRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCCc2occc2C1 ZINC000460622067 823458157 /nfs/dbraw/zinc/45/81/57/823458157.db2.gz QJZJPDPAWKDXHK-NRFANRHFSA-N 1 0 381.520 4.038 20 0 GIADRO O=C(c1cc(Oc2ccccc2)ccc1O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000177419703 823458217 /nfs/dbraw/zinc/45/82/17/823458217.db2.gz XNKBKXWPVBEKAP-GOSISDBHSA-N 1 0 380.488 4.133 20 0 GIADRO CC(C)Cn1c(-c2cccnc2)nnc1N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000460622399 823458492 /nfs/dbraw/zinc/45/84/92/823458492.db2.gz ROSXRGUTQAAWSX-UHFFFAOYSA-N 1 0 396.583 4.089 20 0 GIADRO COc1ccc(C(=O)Nc2cccc(C[N@@H+]3CCCCC[C@@H]3C[C@H](C)O)c2)cc1 ZINC000573167836 823458568 /nfs/dbraw/zinc/45/85/68/823458568.db2.gz ZPTVBOWDSBEHCY-PGRDOPGGSA-N 1 0 396.531 4.463 20 0 GIADRO COc1cc(C[N@@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)cc(OC)c1O ZINC000573166894 823458598 /nfs/dbraw/zinc/45/85/98/823458598.db2.gz KZWRHRRLENZBHJ-CQSZACIVSA-N 1 0 398.286 4.370 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[NH2+]CC2(c3ccccc3)CCCCC2)c1 ZINC000027050874 820185790 /nfs/dbraw/zinc/18/57/90/820185790.db2.gz SURRUDCYUVCFJH-GOSISDBHSA-N 1 0 393.531 4.464 20 0 GIADRO C[C@@H](CCc1ccccc1)NC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000410312470 823460017 /nfs/dbraw/zinc/46/00/17/823460017.db2.gz RPNMGDMHSFKBJL-FQEVSTJZSA-N 1 0 379.548 4.014 20 0 GIADRO COc1ccc([C@H](C/N=C/c2cc3ccccc3[nH]c2=O)[NH+]2CCCCC2)cc1 ZINC000027061816 820187624 /nfs/dbraw/zinc/18/76/24/820187624.db2.gz AKVLUPYQLKXMHR-AJPHYDNBSA-N 1 0 389.499 4.183 20 0 GIADRO Cc1cc[n+](C(C(=O)c2ccc(Cl)c(Cl)c2)C(=S)NC2CC2)cc1 ZINC000027062280 820187638 /nfs/dbraw/zinc/18/76/38/820187638.db2.gz JZEUXJNOTXMPCV-UHFFFAOYSA-O 1 0 380.320 4.280 20 0 GIADRO O=C(CCc1cccc(OC2CCCC2)c1)NC1CC[NH+](C2CCCC2)CC1 ZINC000177431218 823460590 /nfs/dbraw/zinc/46/05/90/823460590.db2.gz GVZHRCQKZVDTMJ-UHFFFAOYSA-N 1 0 384.564 4.464 20 0 GIADRO Cc1ccc(Oc2ccccc2NC(=O)CN2CC[NH+](C3CCCC3)CC2)cc1 ZINC000027119987 820195865 /nfs/dbraw/zinc/19/58/65/820195865.db2.gz AQKGHYJQRBMXCT-UHFFFAOYSA-N 1 0 393.531 4.286 20 0 GIADRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1[nH]c2ccccc2c1Br ZINC000177449090 823464882 /nfs/dbraw/zinc/46/48/82/823464882.db2.gz BVNJFDHSDOUALH-UHFFFAOYSA-N 1 0 390.325 4.067 20 0 GIADRO COCCOc1ccc(C(F)(F)F)cc1NC(=O)C[N@H+](C)[C@H](C)C(C)(C)C ZINC000027135876 820199634 /nfs/dbraw/zinc/19/96/34/820199634.db2.gz LUTWFIHDDGDWFS-CYBMUJFWSA-N 1 0 390.446 4.036 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)c2nc(-c3ccccc3)oc2C)cc1 ZINC000027143585 820201036 /nfs/dbraw/zinc/20/10/36/820201036.db2.gz DQUKKGRIQKWWPG-UHFFFAOYSA-N 1 0 377.488 4.422 20 0 GIADRO COc1ccccc1C(=O)C(C(=S)Nc1ccc(C)cc1)[n+]1ccccc1 ZINC000027202437 820209288 /nfs/dbraw/zinc/20/92/88/820209288.db2.gz QBWPQSBWWBENRY-UHFFFAOYSA-O 1 0 377.489 4.342 20 0 GIADRO CCCC[N@H+](CC)CC(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 ZINC000027272715 820217818 /nfs/dbraw/zinc/21/78/18/820217818.db2.gz JXJCJHHUWZAXTC-SFHVURJKSA-N 1 0 381.520 4.238 20 0 GIADRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000058853692 823462361 /nfs/dbraw/zinc/46/23/61/823462361.db2.gz XDEVSGRBZHYZOM-SFHVURJKSA-N 1 0 388.855 4.207 20 0 GIADRO Cc1cc2cc(NC(=O)NC3CC[NH+](Cc4ccc(F)cc4)CC3)ccc2[nH]1 ZINC000123101057 823462389 /nfs/dbraw/zinc/46/23/89/823462389.db2.gz NCWLMHPQYDYJIE-UHFFFAOYSA-N 1 0 380.467 4.402 20 0 GIADRO CCCNC(=S)C(C(=O)c1ccc(OC)c(Cl)c1)[n+]1ccccc1CC ZINC000027316615 820223741 /nfs/dbraw/zinc/22/37/41/820223741.db2.gz CBGDLLZIPIUENE-UHFFFAOYSA-O 1 0 391.944 4.137 20 0 GIADRO CCCCNC(=S)C(C(=O)c1ccccc1OC)[n+]1ccc(CCC)cc1 ZINC000027324134 820224291 /nfs/dbraw/zinc/22/42/91/820224291.db2.gz RDZCJKMEYSAAAX-UHFFFAOYSA-O 1 0 385.553 4.264 20 0 GIADRO Cc1cccc(-c2nc(CC(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)cs2)c1 ZINC000027334884 820225613 /nfs/dbraw/zinc/22/56/13/820225613.db2.gz IVGUYLHITBHWOZ-IBGZPJMESA-N 1 0 395.528 4.207 20 0 GIADRO Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000573185625 823462719 /nfs/dbraw/zinc/46/27/19/823462719.db2.gz DUBUSOANICXENW-CMPLNLGQSA-N 1 0 394.302 4.312 20 0 GIADRO CN(C)c1ccc(CCC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000027344826 820228703 /nfs/dbraw/zinc/22/87/03/820228703.db2.gz SYAPTMMXCZQQIC-QFIPXVFZSA-N 1 0 399.966 4.292 20 0 GIADRO CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@H+](C)Cc1ccc(Br)cc1 ZINC000027350148 820229219 /nfs/dbraw/zinc/22/92/19/820229219.db2.gz TYBOUJPBZRMGGZ-SFHVURJKSA-N 1 0 391.309 4.307 20 0 GIADRO C[NH+](C)CCOc1ccccc1C(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000177441086 823462903 /nfs/dbraw/zinc/46/29/03/823462903.db2.gz FNYGOFUKTNZJAX-UHFFFAOYSA-N 1 0 380.410 4.374 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH2+]C[C@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000189633402 823463092 /nfs/dbraw/zinc/46/30/92/823463092.db2.gz PAJGAOXDDUWTAI-ICSRJNTNSA-N 1 0 394.437 4.330 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)N(Cc1cccc(F)c1)C1CC1 ZINC000123106565 823463355 /nfs/dbraw/zinc/46/33/55/823463355.db2.gz DIVMCQWMEDQETR-UHFFFAOYSA-N 1 0 399.485 4.303 20 0 GIADRO COc1ccc(-c2nc(C)c(C(=O)NCC3([NH+](C)C)CCCCC3)s2)cc1 ZINC000027391414 820237654 /nfs/dbraw/zinc/23/76/54/820237654.db2.gz XOWUKCUMEOSKRQ-UHFFFAOYSA-N 1 0 387.549 4.121 20 0 GIADRO CC(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460638039 823463467 /nfs/dbraw/zinc/46/34/67/823463467.db2.gz UJQQSTSBQYUPMS-ROUUACIJSA-N 1 0 392.551 4.145 20 0 GIADRO COC(=O)[C@@H]1CCC[C@@H](c2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)C1 ZINC000177445805 823463484 /nfs/dbraw/zinc/46/34/84/823463484.db2.gz JLSLTJRZTVNJFX-RTBURBONSA-N 1 0 383.492 4.169 20 0 GIADRO COC(=O)[C@H]1CCC[C@H](c2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)C1 ZINC000177445789 823463490 /nfs/dbraw/zinc/46/34/90/823463490.db2.gz JLSLTJRZTVNJFX-OALUTQOASA-N 1 0 383.492 4.169 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000189634622 823463518 /nfs/dbraw/zinc/46/35/18/823463518.db2.gz XDIZAOYGUWOFIQ-VQIMIIECSA-N 1 0 381.442 4.062 20 0 GIADRO FC(F)(F)COc1ccc(C[NH+]2CCC(OCCc3ccccc3)CC2)cn1 ZINC000123110311 823463916 /nfs/dbraw/zinc/46/39/16/823463916.db2.gz ZNUHEZNRTIELEP-UHFFFAOYSA-N 1 0 394.437 4.246 20 0 GIADRO CCc1cccc[n+]1C(C(=O)c1ccc(OC)cc1)C(=S)NC1CCCCC1 ZINC000027460591 820247425 /nfs/dbraw/zinc/24/74/25/820247425.db2.gz ATQDDGXKTIMYEV-UHFFFAOYSA-O 1 0 397.564 4.406 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)Nc1ccc(-c2nccs2)cc1 ZINC000058866406 823464144 /nfs/dbraw/zinc/46/41/44/823464144.db2.gz YGLYFUOPSGOLER-KRWDZBQOSA-N 1 0 382.489 4.362 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)Nc1cccc(Cl)c1F)[NH+]1CCCC1 ZINC000058863771 823464155 /nfs/dbraw/zinc/46/41/55/823464155.db2.gz QIDIBIVXKJJSRP-QGZVFWFLSA-N 1 0 391.874 4.446 20 0 GIADRO COc1cccc([C@H](O)C[NH2+]Cc2c(C)nn(Cc3ccc(Cl)cc3)c2C)c1 ZINC000123113281 823464545 /nfs/dbraw/zinc/46/45/45/823464545.db2.gz ZMPXMQUTMKNWAP-JOCHJYFZSA-N 1 0 399.922 4.033 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)CCCOc1cccc(C)c1)[NH+]1CCCC1 ZINC000027570722 820260746 /nfs/dbraw/zinc/26/07/46/820260746.db2.gz RMJXFDMLLILWRF-QFIPXVFZSA-N 1 0 396.531 4.116 20 0 GIADRO Cc1c(C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)cnn1-c1cccc(C)c1 ZINC000058879875 823465386 /nfs/dbraw/zinc/46/53/86/823465386.db2.gz DOGAOOIKXXZYRH-UHFFFAOYSA-N 1 0 394.563 4.217 20 0 GIADRO CC1CC[NH+]([C@H](CNC(=O)CCCOc2ccccc2)c2cccs2)CC1 ZINC000027573520 820261149 /nfs/dbraw/zinc/26/11/49/820261149.db2.gz ZDCNCSFOPLBKAH-HXUWFJFHSA-N 1 0 386.561 4.497 20 0 GIADRO COc1ccccc1CCC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000027573206 820261283 /nfs/dbraw/zinc/26/12/83/820261283.db2.gz KYBCQKWLMQQAGV-IBGZPJMESA-N 1 0 386.561 4.279 20 0 GIADRO C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000177427462 823459864 /nfs/dbraw/zinc/45/98/64/823459864.db2.gz SFZXXBONIKIBKU-CYBMUJFWSA-N 1 0 385.335 4.284 20 0 GIADRO Cc1nc(-c2c[nH]c(C(=O)N3CCC(C[NH+]4CCCCCC4)CC3)c2)cs1 ZINC000058880643 823465740 /nfs/dbraw/zinc/46/57/40/823465740.db2.gz LGPOIBNUVJTBOL-UHFFFAOYSA-N 1 0 386.565 4.175 20 0 GIADRO Cc1nn(CC(C)C)c(C)c1CCC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000027602460 820265521 /nfs/dbraw/zinc/26/55/21/820265521.db2.gz AIWSYUZTWNUGDN-HSZRJFAPSA-N 1 0 396.579 4.042 20 0 GIADRO CC(=O)c1ccc(OCCCC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000027602523 820265775 /nfs/dbraw/zinc/26/57/75/820265775.db2.gz DNAPNNXLQPGLPE-QHCPKHFHSA-N 1 0 394.515 4.002 20 0 GIADRO C[C@H](Oc1ccc(Cl)cc1)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000027605015 820266171 /nfs/dbraw/zinc/26/61/71/820266171.db2.gz CQOLBGVVEOIEAE-WMLDXEAASA-N 1 0 378.925 4.122 20 0 GIADRO COc1ccc([C@H](CNC(=O)c2cc(Cl)ccc2F)[NH+]2CCCCC2)cc1 ZINC000027668723 820272918 /nfs/dbraw/zinc/27/29/18/820272918.db2.gz BLBKVLLFQWQODS-FQEVSTJZSA-N 1 0 390.886 4.445 20 0 GIADRO COc1ccc([C@H](CNC(=O)c2ccc(Cl)cc2F)[NH+]2CCCCC2)cc1 ZINC000027669394 820273527 /nfs/dbraw/zinc/27/35/27/820273527.db2.gz WHGFALANNDSCKP-FQEVSTJZSA-N 1 0 390.886 4.445 20 0 GIADRO O=C(Nc1ccccc1)c1ccc(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)cc1 ZINC000177457779 823466848 /nfs/dbraw/zinc/46/68/48/823466848.db2.gz BQXZMLVCGQMMMC-HSZRJFAPSA-N 1 0 394.515 4.099 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)NCCc2cccc3[nH]ccc32)[C@H]1c1cccs1 ZINC000573222415 823467453 /nfs/dbraw/zinc/46/74/53/823467453.db2.gz NWEKQHGQAXEGHB-UWJYYQICSA-N 1 0 396.560 4.154 20 0 GIADRO Clc1ccc(-c2cc(C[NH+]3CCC(OC[C@H]4CCCO4)CC3)on2)cc1 ZINC000177461288 823467732 /nfs/dbraw/zinc/46/77/32/823467732.db2.gz RDPHGTAOTJAPAY-GOSISDBHSA-N 1 0 376.884 4.155 20 0 GIADRO CN(Cc1ccc(OC(F)F)cc1)C(=O)C[N@H+](C)[C@H]1CCCc2ccccc21 ZINC000027906122 820294985 /nfs/dbraw/zinc/29/49/85/820294985.db2.gz AAJHHNGPUSNVAF-FQEVSTJZSA-N 1 0 388.458 4.256 20 0 GIADRO NC(=O)c1ccc(C[N@H+](CCOc2ccc(Cl)cc2Cl)C2CC2)cc1 ZINC000027909028 820295570 /nfs/dbraw/zinc/29/55/70/820295570.db2.gz PXQCXGOMOAMKFR-UHFFFAOYSA-N 1 0 379.287 4.136 20 0 GIADRO COc1ccc(SCCC(=O)NC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000027932233 820298211 /nfs/dbraw/zinc/29/82/11/820298211.db2.gz MTTCEHKDLFOMBD-UHFFFAOYSA-N 1 0 398.572 4.001 20 0 GIADRO CC(C)(C)c1ccc(OCC(=O)NC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000027938142 820299420 /nfs/dbraw/zinc/29/94/20/820299420.db2.gz FCJQHNOIWWIPKW-UHFFFAOYSA-N 1 0 394.559 4.186 20 0 GIADRO CNC(=O)C1CC[NH+](CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000027965917 820301205 /nfs/dbraw/zinc/30/12/05/820301205.db2.gz JMIODMJBLWWPIL-UHFFFAOYSA-N 1 0 386.486 4.335 20 0 GIADRO COc1ccc(CNC(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)cc1F ZINC000410345754 823468743 /nfs/dbraw/zinc/46/87/43/823468743.db2.gz DPOJKIAQCITDNY-KRWDZBQOSA-N 1 0 399.510 4.208 20 0 GIADRO CCCN(CC[NH+]1CCCC1)C(=O)NCc1ccc(-c2csc(C)n2)s1 ZINC000573233137 823468807 /nfs/dbraw/zinc/46/88/07/823468807.db2.gz IJTXZBCXBOPDHY-UHFFFAOYSA-N 1 0 392.594 4.197 20 0 GIADRO CC(C)OCCCNC(=O)C1CC[NH+]([C@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000189659597 823469414 /nfs/dbraw/zinc/46/94/14/823469414.db2.gz TXXHYMMMKPYWFB-LADGPHEKSA-N 1 0 386.580 4.140 20 0 GIADRO CO[C@@H](CNC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1ccccc1 ZINC000410354367 823471484 /nfs/dbraw/zinc/47/14/84/823471484.db2.gz PNWXZQYOPGJIBG-XXBNENTESA-N 1 0 395.547 4.105 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCc2sccc2C1 ZINC000410348013 823469623 /nfs/dbraw/zinc/46/96/23/823469623.db2.gz GHCDISQSSDSIMN-KRWDZBQOSA-N 1 0 383.561 4.390 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1cccc(Cl)c1 ZINC000028347298 820327384 /nfs/dbraw/zinc/32/73/84/820327384.db2.gz JAQRGGKRHJIOLO-ZIAGYGMSSA-N 1 0 385.895 4.366 20 0 GIADRO CC1CC[NH+](Cc2ccc(CNC(=O)N[C@@H]3CCCc4occc43)cc2)CC1 ZINC000410349825 823470128 /nfs/dbraw/zinc/47/01/28/823470128.db2.gz QXUPIJWVGIAPNN-OAQYLSRUSA-N 1 0 381.520 4.388 20 0 GIADRO COc1ccc([C@@H](NC(=O)NCCC[N@@H+]2CCc3ccccc3C2)C(C)C)cc1 ZINC000028353725 820328602 /nfs/dbraw/zinc/32/86/02/820328602.db2.gz GPMPEHKFGHNRNV-QHCPKHFHSA-N 1 0 395.547 4.140 20 0 GIADRO CC[C@@H](CNC(=O)N(C)[C@H](C)c1ccc(F)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000028392382 820332195 /nfs/dbraw/zinc/33/21/95/820332195.db2.gz QHLASVBEMSYESC-VGSWGCGISA-N 1 0 383.511 4.365 20 0 GIADRO CCCOc1ccc(CNC(=O)NCc2ccccc2C[N@H+](C)C(C)C)cc1 ZINC000410350026 823470455 /nfs/dbraw/zinc/47/04/55/823470455.db2.gz AASDOGSOHWJXSC-UHFFFAOYSA-N 1 0 383.536 4.315 20 0 GIADRO Cc1ccc(SCCC(=O)NCc2ccc(OCC[NH+](C)C)cc2)cc1C ZINC000058921460 823470700 /nfs/dbraw/zinc/47/07/00/823470700.db2.gz VVLDGEFJTRSVHJ-UHFFFAOYSA-N 1 0 386.561 4.042 20 0 GIADRO Cc1cc(CCNC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc(C)c1O ZINC000189668126 823471018 /nfs/dbraw/zinc/47/10/18/823471018.db2.gz JLQKSTATAJIPLV-IBGZPJMESA-N 1 0 395.547 4.076 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCCN(CC(C)(C)C)C1=O)c1cccc(OCc2ccccn2)c1 ZINC000460667706 823471919 /nfs/dbraw/zinc/47/19/19/823471919.db2.gz IGESVGKYJCXOGO-PGRDOPGGSA-N 1 0 395.547 4.348 20 0 GIADRO C[C@H]([NH2+][C@H]1CCCN(CC(C)(C)C)C1=O)c1cccc(OCc2ccccn2)c1 ZINC000460667704 823471927 /nfs/dbraw/zinc/47/19/27/823471927.db2.gz IGESVGKYJCXOGO-AVRDEDQJSA-N 1 0 395.547 4.348 20 0 GIADRO COc1ccc(NC(=O)[C@@H]([NH2+]CCc2ccccc2F)c2ccccc2)cc1 ZINC000028622635 820345755 /nfs/dbraw/zinc/34/57/55/820345755.db2.gz FUGJTVSZRFMCDI-QFIPXVFZSA-N 1 0 378.447 4.346 20 0 GIADRO Cc1cccnc1[C@H]([NH2+][C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O)C(C)C ZINC000189673237 823472446 /nfs/dbraw/zinc/47/24/46/823472446.db2.gz UEDZKEPVSCNYNZ-WOJBJXKFSA-N 1 0 387.474 4.146 20 0 GIADRO COc1ccc2cc(C[N@H+](C)[C@@H](C)C(=O)Nc3ccnn3C(C)C)ccc2c1 ZINC000028730733 820353846 /nfs/dbraw/zinc/35/38/46/820353846.db2.gz QUNWGPJBYNLMKE-INIZCTEOSA-N 1 0 380.492 4.085 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCc4sccc4C3)cc2)C1 ZINC000410358782 823473370 /nfs/dbraw/zinc/47/33/70/823473370.db2.gz IOVAFLQKEYESSV-KRWDZBQOSA-N 1 0 383.561 4.248 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCc3ccccc3C2)C1 ZINC000410359202 823473427 /nfs/dbraw/zinc/47/34/27/823473427.db2.gz LZQYKYICFDMGEV-IBGZPJMESA-N 1 0 377.532 4.186 20 0 GIADRO COc1cnccc1[C@H](C)NC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000189678455 823473525 /nfs/dbraw/zinc/47/35/25/823473525.db2.gz QFQBIKCHGTVUTR-MSOLQXFVSA-N 1 0 396.535 4.025 20 0 GIADRO C[N@H+](CCC(=O)N[C@@H]1CCCc2ccccc21)Cc1ccc(OC(F)F)cc1 ZINC000028852426 820364558 /nfs/dbraw/zinc/36/45/58/820364558.db2.gz DCLKPSHKEBOFMG-HXUWFJFHSA-N 1 0 388.458 4.304 20 0 GIADRO Cc1cccc2oc(CC[NH2+]C3CCN(CCc4ccc(F)cc4)CC3)nc21 ZINC000410359782 823473737 /nfs/dbraw/zinc/47/37/37/823473737.db2.gz OQMHWJHMKDUQPT-UHFFFAOYSA-N 1 0 381.495 4.115 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cc2ccc(Cl)cc2[nH]1 ZINC000028877604 820365822 /nfs/dbraw/zinc/36/58/22/820365822.db2.gz FCUNVCSAFHTGSN-UHFFFAOYSA-N 1 0 382.895 4.134 20 0 GIADRO COc1cc(NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)cc(OC)c1 ZINC000410359327 823473755 /nfs/dbraw/zinc/47/37/55/823473755.db2.gz NBCWWFVFHWKJEF-KRWDZBQOSA-N 1 0 397.519 4.257 20 0 GIADRO Cc1cccc(N2CC[NH+](CCC(=O)Nc3c(Cl)cccc3Cl)CC2)c1 ZINC000028891918 820368204 /nfs/dbraw/zinc/36/82/04/820368204.db2.gz XXNTXLGLMJGODU-UHFFFAOYSA-N 1 0 392.330 4.453 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc(F)ccc1F)c1ccc(Br)cc1 ZINC000028893788 820368621 /nfs/dbraw/zinc/36/86/21/820368621.db2.gz MXCPWELGYOFALJ-MNOVXSKESA-N 1 0 383.236 4.405 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)CC[NH+]1CCC(OCC2CCCC2)CC1 ZINC000177487344 823474003 /nfs/dbraw/zinc/47/40/03/823474003.db2.gz QAXUZUGWERPUHL-UHFFFAOYSA-N 1 0 394.943 4.348 20 0 GIADRO NC(=O)[C@@H]([NH2+]C[C@H](c1c[nH]c2ccccc21)c1ccccc1)c1ccc(F)cc1 ZINC000028902693 820370598 /nfs/dbraw/zinc/37/05/98/820370598.db2.gz MTUHSGYEMPOGOF-REWPJTCUSA-N 1 0 387.458 4.255 20 0 GIADRO Cc1cccc2oc(CC[NH2+][C@H](C)c3ccc(-n4cncn4)cc3Cl)nc21 ZINC000410360856 823474009 /nfs/dbraw/zinc/47/40/09/823474009.db2.gz RPSIZGLRMMEEER-CQSZACIVSA-N 1 0 381.867 4.264 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1cc2c(cc1Cl)OCCCO2)c1ccc(Cl)cc1 ZINC000028966503 820378130 /nfs/dbraw/zinc/37/81/30/820378130.db2.gz XBMUQSSGBWELOQ-LBPRGKRZSA-N 1 0 395.286 4.444 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1cc2c(cc1Cl)OCCCO2)c1ccc(Cl)cc1 ZINC000028966497 820378483 /nfs/dbraw/zinc/37/84/83/820378483.db2.gz XBMUQSSGBWELOQ-GFCCVEGCSA-N 1 0 395.286 4.444 20 0 GIADRO CC(C)(C)c1csc(CCNC(=O)NC2CC[NH+](C3CCCCC3)CC2)n1 ZINC000177490603 823474708 /nfs/dbraw/zinc/47/47/08/823474708.db2.gz YSKGNDYSFAPEJG-UHFFFAOYSA-N 1 0 392.613 4.079 20 0 GIADRO C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+]1CCC(OCC2CCCC2)CC1 ZINC000177490878 823474767 /nfs/dbraw/zinc/47/47/67/823474767.db2.gz ZVBXQESNLVPOSV-FXAWDEMLSA-N 1 0 390.593 4.471 20 0 GIADRO CCc1ccc(-c2nc(CC(=O)NCc3ccccc3C[NH+](C)C)cs2)cc1 ZINC000123184117 823475198 /nfs/dbraw/zinc/47/51/98/823475198.db2.gz CVXDVQGPQBFKCQ-UHFFFAOYSA-N 1 0 393.556 4.293 20 0 GIADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)CCC(=O)c2ccc3c(c2)CCCC3)C1 ZINC000058971813 823477448 /nfs/dbraw/zinc/47/74/48/823477448.db2.gz FXJIBPGWHLZEMG-WOJBJXKFSA-N 1 0 398.591 4.403 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)CC(=O)N1CCCCCC1)c1ccc(Br)cc1F ZINC000573284422 823476020 /nfs/dbraw/zinc/47/60/20/823476020.db2.gz ZCXXRPJKHGDLEQ-UONOGXRCSA-N 1 0 385.321 4.420 20 0 GIADRO Cc1nc(-c2c[nH]c(C(=O)N[C@H](C[NH+]3CCCC3)c3ccccc3)c2)cs1 ZINC000029178733 820407002 /nfs/dbraw/zinc/40/70/02/820407002.db2.gz OBUNXJHSXDMGRX-LJQANCHMSA-N 1 0 380.517 4.014 20 0 GIADRO C[C@H](NC(=O)[C@H](C)[NH+]1CCC(OCC2CCCC2)CC1)c1ccc(F)cc1 ZINC000177496689 823476446 /nfs/dbraw/zinc/47/64/46/823476446.db2.gz JUNDFAYMCATDHU-IRXDYDNUSA-N 1 0 376.516 4.063 20 0 GIADRO Cc1oc(-c2cccs2)nc1CC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000029179595 820407885 /nfs/dbraw/zinc/40/78/85/820407885.db2.gz HWBONABYNXMGKY-LJQANCHMSA-N 1 0 395.528 4.207 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1c[nH]nc1-c1ccc(F)cc1)c1ccccc1 ZINC000029192503 820409263 /nfs/dbraw/zinc/40/92/63/820409263.db2.gz KUFZQIAOVLFFJT-HXUWFJFHSA-N 1 0 380.467 4.029 20 0 GIADRO CN(C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000460680362 823476873 /nfs/dbraw/zinc/47/68/73/823476873.db2.gz XLVPMMVUYZYOQT-QRVBRYPASA-N 1 0 397.485 4.271 20 0 GIADRO COc1ccc(Cl)cc1CNC(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000410370516 823478129 /nfs/dbraw/zinc/47/81/29/823478129.db2.gz QVJNBSLDESPGJP-UHFFFAOYSA-N 1 0 389.927 4.188 20 0 GIADRO C[C@@H](c1ncc(C(C)(C)C)o1)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000177503525 823478260 /nfs/dbraw/zinc/47/82/60/823478260.db2.gz MWLPDTCYSYPDID-KURKYZTESA-N 1 0 377.573 4.244 20 0 GIADRO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](CCCCC2CCOCC2)C1 ZINC000410388562 823483667 /nfs/dbraw/zinc/48/36/67/823483667.db2.gz KIVSMRLZVPNLRG-GOSISDBHSA-N 1 0 392.506 4.096 20 0 GIADRO C[NH+](C)Cc1ccc(NC(=O)c2ccccc2NC(=O)c2cccs2)cc1 ZINC000029279500 820426476 /nfs/dbraw/zinc/42/64/76/820426476.db2.gz QKHRHOVDPVGPLK-UHFFFAOYSA-N 1 0 379.485 4.314 20 0 GIADRO CC1CC[NH+](Cc2ccc(CNC(=O)C3=Cc4ccccc4OC3)cc2)CC1 ZINC000029358461 820443285 /nfs/dbraw/zinc/44/32/85/820443285.db2.gz YWAWBMZIWPGTMU-UHFFFAOYSA-N 1 0 376.500 4.011 20 0 GIADRO COC(=O)Nc1ccc(C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000029358866 820443352 /nfs/dbraw/zinc/44/33/52/820443352.db2.gz RZBUFMHAHUYKDL-UHFFFAOYSA-N 1 0 395.503 4.027 20 0 GIADRO Cc1ccc2c(CC(=O)NCC3([NH+]4CCSCC4)CCCC3)coc2c1C ZINC000029367383 820444766 /nfs/dbraw/zinc/44/47/66/820444766.db2.gz BXDUFZQQFUIGCX-UHFFFAOYSA-N 1 0 386.561 4.070 20 0 GIADRO CC(=O)Nc1ccc(C[NH2+]C(C)(C)COc2ccc(C(F)(F)F)cn2)cc1 ZINC000123215941 823479858 /nfs/dbraw/zinc/47/98/58/823479858.db2.gz RGZJCDRYXJOJAA-UHFFFAOYSA-N 1 0 381.398 4.006 20 0 GIADRO C[C@@H]1C[NH+](CCC2CCN(Cc3ncc(-c4ccccc4)o3)CC2)C[C@@H](C)O1 ZINC000177512335 823479901 /nfs/dbraw/zinc/47/99/01/823479901.db2.gz TZBCJDBBXMIKPM-RTBURBONSA-N 1 0 383.536 4.053 20 0 GIADRO Cc1oc(-c2cccs2)nc1C(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000058990643 823479922 /nfs/dbraw/zinc/47/99/22/823479922.db2.gz LGVAUVGOUXEBOT-UHFFFAOYSA-N 1 0 387.480 4.055 20 0 GIADRO COc1cccc([C@@H]2[C@@H](NC(=O)Nc3cccc(F)c3C)CC[N@@H+]2C2CC2)c1 ZINC000189710493 823480012 /nfs/dbraw/zinc/48/00/12/823480012.db2.gz GYRVQVIEZDHJEJ-LEWJYISDSA-N 1 0 383.467 4.242 20 0 GIADRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)c1csc(-c2cccs2)n1 ZINC000058990987 823480318 /nfs/dbraw/zinc/48/03/18/823480318.db2.gz KHFKURPKPVXPRJ-UHFFFAOYSA-N 1 0 389.521 4.215 20 0 GIADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)N[C@H]1CCOc2c(Cl)cccc21 ZINC000177514732 823480337 /nfs/dbraw/zinc/48/03/37/823480337.db2.gz GZKIHWUWCOASGT-IBGZPJMESA-N 1 0 391.943 4.260 20 0 GIADRO CC(C)[C@@H]([NH2+]Cc1cc(Cl)cc(S(N)(=O)=O)c1)c1ccccc1Cl ZINC000573328258 823480491 /nfs/dbraw/zinc/48/04/91/823480491.db2.gz FXWZFXNYGNHAMO-QGZVFWFLSA-N 1 0 387.332 4.128 20 0 GIADRO Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000410380917 823481710 /nfs/dbraw/zinc/48/17/10/823481710.db2.gz JSNJMACDHZVARG-FQEVSTJZSA-N 1 0 399.535 4.041 20 0 GIADRO CC(C)CCNC(=O)[C@H](C)[NH2+]C[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000029569800 820477949 /nfs/dbraw/zinc/47/79/49/820477949.db2.gz IBHYIDHAXAKGSE-GHTZIAJQSA-N 1 0 377.532 4.440 20 0 GIADRO CC(C)CCNC(=O)[C@@H](C)[NH2+]C[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000029569797 820477973 /nfs/dbraw/zinc/47/79/73/820477973.db2.gz IBHYIDHAXAKGSE-WIYYLYMNSA-N 1 0 377.532 4.440 20 0 GIADRO CC[NH+]1CCC(NC(=O)c2cc3sc(Nc4ccccc4)nc3s2)CC1 ZINC000029608202 820483650 /nfs/dbraw/zinc/48/36/50/820483650.db2.gz UYFNNUOJNYNILR-UHFFFAOYSA-N 1 0 386.546 4.316 20 0 GIADRO CC[NH+]1CCC(NC(=O)C23C[C@@H]4C[C@H](C2)CC(c2ccc(OC)cc2)(C4)C3)CC1 ZINC000029607848 820483801 /nfs/dbraw/zinc/48/38/01/820483801.db2.gz SXCSEOBUKPFJHQ-VINFYQEGSA-N 1 0 396.575 4.134 20 0 GIADRO Cc1ccc2c(CC(=O)N(C)C3CC[NH+](Cc4ccncc4)CC3)coc2c1C ZINC000059010015 823482567 /nfs/dbraw/zinc/48/25/67/823482567.db2.gz YGGSOYLUIQCPMP-UHFFFAOYSA-N 1 0 391.515 4.110 20 0 GIADRO Cc1ccc(Oc2ccc(NC(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)cn2)cc1 ZINC000177527274 823482659 /nfs/dbraw/zinc/48/26/59/823482659.db2.gz WXMJLHHOSJBXOK-SFHVURJKSA-N 1 0 380.492 4.132 20 0 GIADRO Cc1ccc(Oc2ccc(NC(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)cn2)cc1C ZINC000177527121 823482745 /nfs/dbraw/zinc/48/27/45/823482745.db2.gz OGGXKJRISRFBKT-IBGZPJMESA-N 1 0 394.519 4.440 20 0 GIADRO COc1cccc(CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)c1 ZINC000029655189 820494255 /nfs/dbraw/zinc/49/42/55/820494255.db2.gz JMGVUDZVADMSFL-IBGZPJMESA-N 1 0 387.549 4.029 20 0 GIADRO COc1cc([C@H](C)[NH2+]Cc2cc3ccccc3[nH]c2=O)ccc1OCC(C)C ZINC000123236175 823483024 /nfs/dbraw/zinc/48/30/24/823483024.db2.gz OTWHTEMWAXEFMT-INIZCTEOSA-N 1 0 380.488 4.422 20 0 GIADRO CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000573356961 823483958 /nfs/dbraw/zinc/48/39/58/823483958.db2.gz FJTHDVTXTIOLFP-OAHLLOKOSA-N 1 0 379.913 4.060 20 0 GIADRO Cc1ccc(-c2cc(C[NH+]3CCC(C(=O)N4CCCCCC4)CC3)on2)cc1 ZINC000029707702 820502687 /nfs/dbraw/zinc/50/26/87/820502687.db2.gz BMAQMHHXAIQOIG-UHFFFAOYSA-N 1 0 381.520 4.265 20 0 GIADRO CC1(C)CC(NC(=O)NCc2ccc(OCc3ccccc3)cc2)CC(C)(C)[NH2+]1 ZINC000410390677 823484373 /nfs/dbraw/zinc/48/43/73/823484373.db2.gz ZRUVBMGVRCEOLB-UHFFFAOYSA-N 1 0 395.547 4.374 20 0 GIADRO Cc1cccc2c1OCC[C@H]2NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000189758574 823489524 /nfs/dbraw/zinc/48/95/24/823489524.db2.gz NPUORGOHJQJOJU-MSOLQXFVSA-N 1 0 385.533 4.016 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccc(Cl)c2cccnc12 ZINC000029777937 820516455 /nfs/dbraw/zinc/51/64/55/820516455.db2.gz JJWCKNOVJMSIGX-UHFFFAOYSA-N 1 0 379.891 4.414 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccc(OCc2ccccn2)cc1 ZINC000460708198 823489587 /nfs/dbraw/zinc/48/95/87/823489587.db2.gz IBYGJBLTFPRHID-IBGZPJMESA-N 1 0 381.520 4.045 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)CCc2ccccc2O)C1 ZINC000059286782 823489578 /nfs/dbraw/zinc/48/95/78/823489578.db2.gz IKIGHWIQKNUFQO-KDURUIRLSA-N 1 0 380.532 4.119 20 0 GIADRO CSCC[C@H](NCc1ccc(CSC(F)F)o1)c1nnc2ccccn21 ZINC000123255671 823486284 /nfs/dbraw/zinc/48/62/84/823486284.db2.gz YTOOGKWQWXIRNV-AWEZNQCLSA-N 1 0 398.504 4.362 20 0 GIADRO CC(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000029827140 820526963 /nfs/dbraw/zinc/52/69/63/820526963.db2.gz VXOWRBIBBGROKX-FQEVSTJZSA-N 1 0 391.515 4.444 20 0 GIADRO O[C@@H](COc1ccc(Cl)cc1)C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029828721 820527454 /nfs/dbraw/zinc/52/74/54/820527454.db2.gz PEQWUTJPBDHLOO-NVXWUHKLSA-N 1 0 386.879 4.101 20 0 GIADRO Cc1ccc2c(CC(=O)NCCC[N@@H+]3CCc4ccccc4C3)coc2c1C ZINC000029837590 820529326 /nfs/dbraw/zinc/52/93/26/820529326.db2.gz UTIOTTOXMSCPGA-UHFFFAOYSA-N 1 0 376.500 4.157 20 0 GIADRO O=C(CCc1ccc(-c2ccccc2)o1)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000029838268 820529428 /nfs/dbraw/zinc/52/94/28/820529428.db2.gz RGGWLFAFWNYVMU-UHFFFAOYSA-N 1 0 388.511 4.444 20 0 GIADRO COc1ccc(Cl)cc1N1CC[C@@H]([NH2+]Cc2ncc(CSC)s2)C1 ZINC000573391179 823487034 /nfs/dbraw/zinc/48/70/34/823487034.db2.gz DYYRAMADBQGBIO-CYBMUJFWSA-N 1 0 383.970 4.037 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)Cc1cn2ccccc2n1)C1CCCCC1 ZINC000029880266 820539400 /nfs/dbraw/zinc/53/94/00/820539400.db2.gz DZLUTKRQWJOTGK-UHFFFAOYSA-N 1 0 376.504 4.280 20 0 GIADRO CC[C@H](NC(=O)NCc1cccc(OCC[NH+](C)C)c1)c1ccc(Cl)cc1 ZINC000410410701 823489748 /nfs/dbraw/zinc/48/97/48/823489748.db2.gz XMTCSRVBPWFXCP-FQEVSTJZSA-N 1 0 389.927 4.231 20 0 GIADRO O=C(COc1cc(Cl)ccc1Cl)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000029898344 820542841 /nfs/dbraw/zinc/54/28/41/820542841.db2.gz IAPWKGYHNFPZGH-INIZCTEOSA-N 1 0 397.302 4.309 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(C(F)(F)F)nc1C)Cc1ccccc1 ZINC000029921038 820548666 /nfs/dbraw/zinc/54/86/66/820548666.db2.gz UETMJQRZGXAJRZ-KRWDZBQOSA-N 1 0 393.453 4.092 20 0 GIADRO CCCCNC(=O)C1CC[NH+](Cc2c(-c3ccccc3)nc3ccccn32)CC1 ZINC000029927398 820549206 /nfs/dbraw/zinc/54/92/06/820549206.db2.gz HVFJANSACWCZKQ-UHFFFAOYSA-N 1 0 390.531 4.130 20 0 GIADRO Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000029952042 820555789 /nfs/dbraw/zinc/55/57/89/820555789.db2.gz BYAQMOKZLXROEI-UHFFFAOYSA-N 1 0 399.491 4.484 20 0 GIADRO C[NH+](C)CCOc1cccc(CNC(=O)Nc2cccc(OC3CCCC3)c2)c1 ZINC000410405811 823488967 /nfs/dbraw/zinc/48/89/67/823488967.db2.gz ZLJKQYJXAMQOEM-UHFFFAOYSA-N 1 0 397.519 4.270 20 0 GIADRO CC(C)[C@H](C)[N@H+](C)CC(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000030149314 820578963 /nfs/dbraw/zinc/57/89/63/820578963.db2.gz OIPWAOYFQQMMSW-INIZCTEOSA-N 1 0 388.533 4.029 20 0 GIADRO CC(C)[C@H](C)[N@H+](C)CC(=O)N(C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000030150451 820579942 /nfs/dbraw/zinc/57/99/42/820579942.db2.gz HPQVTBPSBASPJY-OALUTQOASA-N 1 0 395.547 4.435 20 0 GIADRO Cc1ccccc1NCCC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000030250338 820591002 /nfs/dbraw/zinc/59/10/02/820591002.db2.gz BQIUOPILZRZBOH-UHFFFAOYSA-N 1 0 379.548 4.345 20 0 GIADRO CCc1c(C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)[nH]c(C)c1C(C)=O ZINC000059391942 823494951 /nfs/dbraw/zinc/49/49/51/823494951.db2.gz XNWZSZZAOYXTME-UHFFFAOYSA-N 1 0 395.547 4.250 20 0 GIADRO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1ccccc1COc1ccccc1 ZINC000030318305 820599948 /nfs/dbraw/zinc/59/99/48/820599948.db2.gz QFEDZZWWQUYLEY-UHFFFAOYSA-N 1 0 386.495 4.054 20 0 GIADRO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1ccc(SC(F)(F)F)cc1 ZINC000030318476 820600784 /nfs/dbraw/zinc/60/07/84/820600784.db2.gz YSUOBNQGWOSCNG-UHFFFAOYSA-N 1 0 380.435 4.087 20 0 GIADRO O=C1c2ccccc2C(=O)N1CCCC[NH2+]Cc1cnc(-c2cccs2)s1 ZINC000177579456 823495467 /nfs/dbraw/zinc/49/54/67/823495467.db2.gz RRPKBKIGCXGGLP-UHFFFAOYSA-N 1 0 397.525 4.038 20 0 GIADRO COc1cccc(F)c1[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000123291007 823491430 /nfs/dbraw/zinc/49/14/30/823491430.db2.gz HMHWFGCAQXOCJF-HNSVSWJLSA-N 1 0 378.488 4.415 20 0 GIADRO COc1cc([C@H](C)[NH2+]Cc2cc(=O)oc3c(C)c(O)ccc23)ccc1OC(C)C ZINC000030492425 820622730 /nfs/dbraw/zinc/62/27/30/820622730.db2.gz NLDUDIBVNGABIX-HNNXBMFYSA-N 1 0 397.471 4.454 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(F)cc2F)ccc1OC(C)C ZINC000030492720 820623339 /nfs/dbraw/zinc/62/33/39/820623339.db2.gz VGFSCOOEAYXINZ-ZIAGYGMSSA-N 1 0 392.446 4.438 20 0 GIADRO CCc1c(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cnn1-c1ccccc1 ZINC000030511728 820628892 /nfs/dbraw/zinc/62/88/92/820628892.db2.gz OZYZQEOAIMMZLM-FQEVSTJZSA-N 1 0 394.544 4.063 20 0 GIADRO C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)c1nnnn1C1CCCCC1 ZINC000189772730 823491933 /nfs/dbraw/zinc/49/19/33/823491933.db2.gz ICUVNZJUMBUEFX-OALUTQOASA-N 1 0 396.583 4.261 20 0 GIADRO COc1ccc(O[C@H](C)C(=O)Nc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)cc1 ZINC000059326530 823492133 /nfs/dbraw/zinc/49/21/33/823492133.db2.gz WLVIDHGXKVCFEA-QZTJIDSGSA-N 1 0 382.504 4.476 20 0 GIADRO COc1ccccc1CC[NH2+]Cc1ccc(OC)c(OCc2cccnc2)c1 ZINC000030544673 820637242 /nfs/dbraw/zinc/63/72/42/820637242.db2.gz VNLSTXNPMFJDJI-UHFFFAOYSA-N 1 0 378.472 4.010 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000030553326 820638990 /nfs/dbraw/zinc/63/89/90/820638990.db2.gz UHALTCFQOISVJL-QHCPKHFHSA-N 1 0 396.531 4.016 20 0 GIADRO COc1ccc2ccccc2c1CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000123319467 823495579 /nfs/dbraw/zinc/49/55/79/823495579.db2.gz GRUCOGVWCZBZLM-AVRDEDQJSA-N 1 0 393.531 4.007 20 0 GIADRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)CCc3ccccc3O)cc2)C1 ZINC000059410623 823495916 /nfs/dbraw/zinc/49/59/16/823495916.db2.gz QJMAVQQIUKEPNJ-OALUTQOASA-N 1 0 380.532 4.119 20 0 GIADRO Cc1ccc2cc(C[NH+]3CCC(NC(=O)NC4CCCCC4)CC3)ccc2n1 ZINC000189794576 823495923 /nfs/dbraw/zinc/49/59/23/823495923.db2.gz DCDSXSWUVBDJNN-UHFFFAOYSA-N 1 0 380.536 4.140 20 0 GIADRO C[C@@H](C1CC1)n1cc(NC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)cn1 ZINC000189814185 823500279 /nfs/dbraw/zinc/50/02/79/823500279.db2.gz KUZKJPHQSFUXAX-SFHVURJKSA-N 1 0 395.551 4.230 20 0 GIADRO Cc1cccc2nc(C3CC[NH+](C[C@@H](O)COc4ccccc4C)CC3)oc21 ZINC000189798035 823496538 /nfs/dbraw/zinc/49/65/38/823496538.db2.gz BWSNZNDGGDGHQG-LJQANCHMSA-N 1 0 380.488 4.064 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc(NC(=O)CC(C)(C)C)ccc1Cl ZINC000460727882 823496673 /nfs/dbraw/zinc/49/66/73/823496673.db2.gz PFSNZNBVZTXHKV-OAHLLOKOSA-N 1 0 393.959 4.319 20 0 GIADRO COc1ccc(C[C@H](C)[NH2+]C[C@@H](O)c2ccc(Cl)c(Cl)c2)cc1OC ZINC000059700377 823497283 /nfs/dbraw/zinc/49/72/83/823497283.db2.gz AWHAHHVOZVUTPH-YVEFUNNKSA-N 1 0 384.303 4.265 20 0 GIADRO C[C@]1(c2ccccc2)CC[C@H]([NH+]2CCN(CCCOCC(F)(F)F)CC2)C1 ZINC000189803026 823497357 /nfs/dbraw/zinc/49/73/57/823497357.db2.gz OFIDXNXDPUCYJH-PMACEKPBSA-N 1 0 384.486 4.083 20 0 GIADRO Cc1cccc2nc(C3CC[NH+]([C@H](C)C(=O)NCc4ccc(F)cc4)CC3)oc21 ZINC000189808513 823498651 /nfs/dbraw/zinc/49/86/51/823498651.db2.gz MWYMTALRUJVFPO-MRXNPFEDSA-N 1 0 395.478 4.160 20 0 GIADRO Clc1ccccc1Cn1cc(C[NH2+][C@@H]2CCCN(Cc3ccccc3)C2)cn1 ZINC000030909054 820707476 /nfs/dbraw/zinc/70/74/76/820707476.db2.gz WOOOJAILOOVPML-JOCHJYFZSA-N 1 0 394.950 4.339 20 0 GIADRO O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CCC(c2nc3ccccc3o2)CC1 ZINC000177598138 823498915 /nfs/dbraw/zinc/49/89/15/823498915.db2.gz ASSSAWXLEHGHEJ-GOSISDBHSA-N 1 0 381.520 4.188 20 0 GIADRO Cc1c(-c2cc(C[NH+]3CCC(c4nc5cccc(C)c5o4)CC3)on2)cnn1C ZINC000189809768 823499119 /nfs/dbraw/zinc/49/91/19/823499119.db2.gz CANSGGIKCWBCDU-UHFFFAOYSA-N 1 0 391.475 4.213 20 0 GIADRO CC(C)CNC(=O)NC(=O)C[NH2+][C@@H](c1cccs1)c1ccc(C(C)C)cc1 ZINC000031069902 820733667 /nfs/dbraw/zinc/73/36/67/820733667.db2.gz LJMGPNLNEITCCJ-HXUWFJFHSA-N 1 0 387.549 4.032 20 0 GIADRO CC(C)CNC(=O)NC(=O)C[NH2+][C@H](c1cccs1)c1ccc(C(C)C)cc1 ZINC000031069899 820733708 /nfs/dbraw/zinc/73/37/08/820733708.db2.gz LJMGPNLNEITCCJ-FQEVSTJZSA-N 1 0 387.549 4.032 20 0 GIADRO O=S(=O)(NCc1ccccc1C[NH+]1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000031075295 820735132 /nfs/dbraw/zinc/73/51/32/820735132.db2.gz BSVODEFYQVZCAA-UHFFFAOYSA-N 1 0 399.343 4.068 20 0 GIADRO O=C(NCc1ccccc1F)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000031092707 820738870 /nfs/dbraw/zinc/73/88/70/820738870.db2.gz QRGVEZIPBQAOSM-LJQANCHMSA-N 1 0 375.875 4.115 20 0 GIADRO CC[C@H](NC(=O)NCc1ccc(C[NH+](C)C)cc1)c1ccccc1OC(F)F ZINC000031105937 820744463 /nfs/dbraw/zinc/74/44/63/820744463.db2.gz OLVHJFLABXTBRJ-SFHVURJKSA-N 1 0 391.462 4.300 20 0 GIADRO C[C@@H](CNC(=O)N[C@H]1CCSc2c(F)cccc21)[N@@H+]1CCc2ccccc2C1 ZINC000031106707 820744898 /nfs/dbraw/zinc/74/48/98/820744898.db2.gz VZXQSICKNCYMRQ-YWZLYKJASA-N 1 0 399.535 4.109 20 0 GIADRO CC1CCC([NH+]2CCC(N(C)C(=O)NCc3nc(C4CC4)cs3)CC2)CC1 ZINC000123390635 823504580 /nfs/dbraw/zinc/50/45/80/823504580.db2.gz VISYELYWQARYIB-UHFFFAOYSA-N 1 0 390.597 4.205 20 0 GIADRO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]CCCOCC1CCOCC1 ZINC000123390618 823504589 /nfs/dbraw/zinc/50/45/89/823504589.db2.gz PJRMJYJTTVZIFI-UHFFFAOYSA-N 1 0 391.943 4.065 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)NCC(c2ccccc2)c2ccccc2)c1 ZINC000031125252 820747732 /nfs/dbraw/zinc/74/77/32/820747732.db2.gz IMFJEFMTYLHHJH-UHFFFAOYSA-N 1 0 387.527 4.380 20 0 GIADRO O=C(Nc1ccc(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1)c1ccco1 ZINC000177632766 823504899 /nfs/dbraw/zinc/50/48/99/823504899.db2.gz WSQVERLMQHIXNF-MRXNPFEDSA-N 1 0 381.476 4.125 20 0 GIADRO CC[C@H](CNC(=O)c1c[nH]cc1-c1ccc(F)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000460762184 823506336 /nfs/dbraw/zinc/50/63/36/823506336.db2.gz BEAHHMJTVLRYTF-OAQYLSRUSA-N 1 0 391.490 4.388 20 0 GIADRO O=C(NCCc1cccc2ccccc21)NCc1ccccc1C[NH+]1CCCC1 ZINC000031184569 820763139 /nfs/dbraw/zinc/76/31/39/820763139.db2.gz QLIGZMXLCIUTEO-UHFFFAOYSA-N 1 0 387.527 4.478 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2scnc2C(F)(F)F)[C@H]1c1cccs1 ZINC000410517099 823500838 /nfs/dbraw/zinc/50/08/38/823500838.db2.gz WECQDLYVQIJUTH-JQWIXIFHSA-N 1 0 389.468 4.036 20 0 GIADRO Cc1cc(C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)ccc1-n1cncn1 ZINC000460739512 823501009 /nfs/dbraw/zinc/50/10/09/823501009.db2.gz GVEUJSOWAIINAF-QGZVFWFLSA-N 1 0 389.503 4.060 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)NCCSc1ccccc1)c1ccsc1 ZINC000031194257 820765873 /nfs/dbraw/zinc/76/58/73/820765873.db2.gz ZRLOFPUGEFHYPA-GOSISDBHSA-N 1 0 377.579 4.223 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)NCCSc1ccccc1)c1ccsc1 ZINC000031194253 820765904 /nfs/dbraw/zinc/76/59/04/820765904.db2.gz ZRLOFPUGEFHYPA-SFHVURJKSA-N 1 0 377.579 4.223 20 0 GIADRO Cc1ccc(-c2nc(C)c(C(=O)NC[C@@H](c3cccs3)[NH+](C)C)s2)o1 ZINC000031211718 820770763 /nfs/dbraw/zinc/77/07/63/820770763.db2.gz RCQSATONGOZNCK-ZDUSSCGKSA-N 1 0 375.519 4.114 20 0 GIADRO COc1ccc(CCC(=O)Nc2ccccc2C[NH+](C)C)cc1Br ZINC000031231453 820774848 /nfs/dbraw/zinc/77/48/48/820774848.db2.gz WNFJAORGPUELGV-UHFFFAOYSA-N 1 0 391.309 4.091 20 0 GIADRO COc1ccc2cc(C(=O)NCc3ccc(C[NH+]4CCC(C)CC4)cc3)[nH]c2c1 ZINC000031284705 820785714 /nfs/dbraw/zinc/78/57/14/820785714.db2.gz WJLASBISBYCPHN-UHFFFAOYSA-N 1 0 391.515 4.338 20 0 GIADRO CC[NH2+]Cc1cccc(NC(=O)c2ccccc2SCc2nc(C)no2)c1 ZINC000123373925 823502762 /nfs/dbraw/zinc/50/27/62/823502762.db2.gz JMYYKFAWXSHUMT-UHFFFAOYSA-N 1 0 382.489 4.032 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1cc2c(cccc2OC(F)F)[nH]1 ZINC000031369675 820798473 /nfs/dbraw/zinc/79/84/73/820798473.db2.gz BLMGISRLMUEZJZ-UHFFFAOYSA-N 1 0 399.441 4.295 20 0 GIADRO C[C@H]1C[C@@H](N(C)Cc2ncc(-c3ccccc3Br)o2)CC[N@@H+]1C ZINC000123416366 823507112 /nfs/dbraw/zinc/50/71/12/823507112.db2.gz SGVLWXOYWJRFBS-KBPBESRZSA-N 1 0 378.314 4.019 20 0 GIADRO O=C(Cc1ccc(C(F)(F)F)cc1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000031565099 820826406 /nfs/dbraw/zinc/82/64/06/820826406.db2.gz OGKBOARCRBLEDZ-IBGZPJMESA-N 1 0 376.422 4.029 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)c2cccc(NC(=O)[C@H]3C[C@H]3C)c2)cc1 ZINC000031584729 820828722 /nfs/dbraw/zinc/82/87/22/820828722.db2.gz DQFDPDFGBUTIDE-VGSWGCGISA-N 1 0 393.531 4.053 20 0 GIADRO COc1ccc([C@@H](C)CC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000177656495 823508423 /nfs/dbraw/zinc/50/84/23/823508423.db2.gz WDKIJUJIDRDDCJ-PZJWPPBQSA-N 1 0 380.532 4.169 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1ccc2c(c1)NC(=O)CCS2 ZINC000031621250 820835957 /nfs/dbraw/zinc/83/59/57/820835957.db2.gz DGUFKALZNPGYKU-UHFFFAOYSA-N 1 0 395.528 4.359 20 0 GIADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)NCc1ccc(C)c(F)c1 ZINC000031730139 820852963 /nfs/dbraw/zinc/85/29/63/820852963.db2.gz QIONIZKOGBRFHY-UHFFFAOYSA-N 1 0 377.529 4.249 20 0 GIADRO CC[NH+](CC)[C@H](C)CNC(=O)c1ccc(SCc2csc(C)n2)cc1 ZINC000031825126 820866324 /nfs/dbraw/zinc/86/63/24/820866324.db2.gz QJMMLARYINYYPB-CQSZACIVSA-N 1 0 377.579 4.204 20 0 GIADRO N#C/C(=C\c1ccc(OCC[NH+]2CCCC2)cc1)C(=O)Nc1ccccc1Cl ZINC000031855029 820868157 /nfs/dbraw/zinc/86/81/57/820868157.db2.gz DHFLDQCYDKAASE-OBGWFSINSA-N 1 0 395.890 4.360 20 0 GIADRO CSc1ccc(Cl)c(C(=O)NCC2([NH+]3CCSCC3)CCCC2)c1 ZINC000031960505 820879558 /nfs/dbraw/zinc/87/95/58/820879558.db2.gz QZUYCJVBVIFYRV-UHFFFAOYSA-N 1 0 384.998 4.153 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]2C)c1)c1ccsc1 ZINC000031983147 820883146 /nfs/dbraw/zinc/88/31/46/820883146.db2.gz WCZMIBOWGIIHAZ-CWFSZBLJSA-N 1 0 399.560 4.156 20 0 GIADRO CO[C@H](C)c1nc(C[NH2+][C@]2(CNC(=O)OC(C)(C)C)CCCC[C@H]2C)cs1 ZINC000177677542 823512444 /nfs/dbraw/zinc/51/24/44/823512444.db2.gz HENYLBLNCOISGH-SXGZJXTBSA-N 1 0 397.585 4.414 20 0 GIADRO C[C@@H]([NH2+]C[C@H](O)c1ccccc1Br)c1cccc(-n2ccnc2)c1 ZINC000189911341 823512720 /nfs/dbraw/zinc/51/27/20/823512720.db2.gz LHWQNSJQXLENRU-KUHUBIRLSA-N 1 0 386.293 4.019 20 0 GIADRO CC(C)[NH+](CCNC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)C(C)C ZINC000032244465 820904865 /nfs/dbraw/zinc/90/48/65/820904865.db2.gz BOAPRUTZUSZVDM-UHFFFAOYSA-N 1 0 382.508 4.179 20 0 GIADRO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3ccc(Oc4cccnc4)cc3)C2)CC1 ZINC000060275411 823514055 /nfs/dbraw/zinc/51/40/55/823514055.db2.gz OBNMATIKGNTEFB-HXUWFJFHSA-N 1 0 393.531 4.458 20 0 GIADRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccnc(F)c1 ZINC000060318773 823515277 /nfs/dbraw/zinc/51/52/77/823515277.db2.gz QORRUKDSQDUNBC-UHFFFAOYSA-N 1 0 384.282 4.122 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)N(C)C2CCN(c3ccccc3)CC2)cc1)C1CC1 ZINC000410808795 823515427 /nfs/dbraw/zinc/51/54/27/823515427.db2.gz QVQXHGROSGKYKV-UHFFFAOYSA-N 1 0 391.559 4.412 20 0 GIADRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1ccc(Cl)c2cccnc12 ZINC000032401647 820934736 /nfs/dbraw/zinc/93/47/36/820934736.db2.gz BAFOLGAWIQDTNX-UHFFFAOYSA-N 1 0 379.891 4.066 20 0 GIADRO Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C[NH2+][C@@H]1CCC[C@H]1CCO ZINC000189962973 823518367 /nfs/dbraw/zinc/51/83/67/823518367.db2.gz BSVLNPVDWKIRHI-MAUKXSAKSA-N 1 0 382.335 4.187 20 0 GIADRO CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1)c1c(C)noc1C ZINC000123513434 823516202 /nfs/dbraw/zinc/51/62/02/823516202.db2.gz QDSBLXBOSYXADN-GOSISDBHSA-N 1 0 392.931 4.169 20 0 GIADRO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000032476992 820955029 /nfs/dbraw/zinc/95/50/29/820955029.db2.gz BQUFAQUUYAYWEB-ZFWWWQNUSA-N 1 0 397.302 4.307 20 0 GIADRO C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000032476991 820955129 /nfs/dbraw/zinc/95/51/29/820955129.db2.gz BQUFAQUUYAYWEB-HIFRSBDPSA-N 1 0 397.302 4.307 20 0 GIADRO CN(C[C@H]1CCC[N@H+](Cc2cc(F)cc3cccnc32)C1)C(=O)OC(C)(C)C ZINC000060339781 823516964 /nfs/dbraw/zinc/51/69/64/823516964.db2.gz CPQROKLXXPWFDP-MRXNPFEDSA-N 1 0 387.499 4.453 20 0 GIADRO CCCc1cccc(C(C)C)c1NC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000189953994 823517418 /nfs/dbraw/zinc/51/74/18/823517418.db2.gz FFCDULNBXHSREA-UHFFFAOYSA-N 1 0 388.600 4.252 20 0 GIADRO O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)N1CCC([NH+]2CCCC2)CC1 ZINC000123582270 823523577 /nfs/dbraw/zinc/52/35/77/823523577.db2.gz CQWXHUCLWMWHCV-FQEVSTJZSA-N 1 0 383.536 4.093 20 0 GIADRO Cc1nc(C(F)(F)F)ccc1NC(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000410846989 823518652 /nfs/dbraw/zinc/51/86/52/823518652.db2.gz VHDBBHBXXQOJAK-GHMZBOCLSA-N 1 0 397.363 4.256 20 0 GIADRO Cc1csc2nc(C[N@@H+](C)[C@H](C)[C@@H](C)c3ccc(Cl)cc3)cc(=O)n12 ZINC000177741903 823519157 /nfs/dbraw/zinc/51/91/57/823519157.db2.gz YNTLGJZEWPVFRF-ZIAGYGMSSA-N 1 0 375.925 4.342 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)CCCc1ncc(-c2ccccc2)o1)c1ccsc1 ZINC000032638230 820982427 /nfs/dbraw/zinc/98/24/27/820982427.db2.gz GDYQHUBIUQZOBJ-GOSISDBHSA-N 1 0 383.517 4.145 20 0 GIADRO CCOc1cccc(C[NH2+]Cc2cc(Br)c(OC)c(OC)c2)c1 ZINC000061018687 823573430 /nfs/dbraw/zinc/57/34/30/823573430.db2.gz RSUQULSZFUVUSS-UHFFFAOYSA-N 1 0 380.282 4.155 20 0 GIADRO COCc1cc([C@@H](C)[NH2+]Cc2ccccc2-n2nc(C)cc2C)ccc1OC ZINC000123550349 823520147 /nfs/dbraw/zinc/52/01/47/823520147.db2.gz FBGWDXFGQYEWGJ-GOSISDBHSA-N 1 0 379.504 4.495 20 0 GIADRO CC(=O)c1ccc(-c2ccc(C(=O)NC[C@H](c3cccc(F)c3)[NH+](C)C)o2)cc1 ZINC000032729391 820997775 /nfs/dbraw/zinc/99/77/75/820997775.db2.gz XJUJGBODAXGXRD-HXUWFJFHSA-N 1 0 394.446 4.321 20 0 GIADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2(c3cccc(Cl)c3)CCOCC2)C1 ZINC000060366895 823520313 /nfs/dbraw/zinc/52/03/13/823520313.db2.gz GKICIDGNKNYPAV-KRWDZBQOSA-N 1 0 392.971 4.015 20 0 GIADRO C[C@@H](CNC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)[N@@H+]1CCCC[C@@H]1C ZINC000032732870 820999574 /nfs/dbraw/zinc/99/95/74/820999574.db2.gz XMAWJGPUCXBWML-ROUUACIJSA-N 1 0 394.519 4.323 20 0 GIADRO C[C@@H]1C[NH+](CC2CCN(Cc3csc(C4CCCC4)n3)CC2)C[C@@H](C)O1 ZINC000060368410 823520513 /nfs/dbraw/zinc/52/05/13/823520513.db2.gz CEDGNBIAFPVZLS-IAGOWNOFSA-N 1 0 377.598 4.122 20 0 GIADRO COCCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)cc1 ZINC000177752467 823520589 /nfs/dbraw/zinc/52/05/89/823520589.db2.gz LKKXYIUSDJINSN-DLBZAZTESA-N 1 0 384.476 4.080 20 0 GIADRO Cc1ccc(-c2noc(CCC[N@@H+]3CC[C@H](Nc4ccccc4)C3)n2)cc1F ZINC000060369952 823520701 /nfs/dbraw/zinc/52/07/01/823520701.db2.gz PNLBLUKMSNCUCA-IBGZPJMESA-N 1 0 380.467 4.303 20 0 GIADRO O=C(CCOc1cccc(Cl)c1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000032766696 821005904 /nfs/dbraw/zinc/00/59/04/821005904.db2.gz HEVKSANRJUBHBZ-UHFFFAOYSA-N 1 0 386.923 4.411 20 0 GIADRO CC(C)c1c(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cnn1-c1cccc(Cl)c1 ZINC000123557786 823521177 /nfs/dbraw/zinc/52/11/77/823521177.db2.gz ZXBLGLPYEZSMHC-RDJZCZTQSA-N 1 0 388.943 4.204 20 0 GIADRO COc1cc(C[NH2+]C2(C)CCN(C(=O)OC(C)(C)C)CC2)cc(Cl)c1OC ZINC000190000523 823524176 /nfs/dbraw/zinc/52/41/76/823524176.db2.gz ZVFWBFRTGXJVAE-UHFFFAOYSA-N 1 0 398.931 4.236 20 0 GIADRO Cc1nc(Cc2ccccc2)sc1C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000033047476 821028420 /nfs/dbraw/zinc/02/84/20/821028420.db2.gz VQVCAJVAGUTOBP-QGZVFWFLSA-N 1 0 385.558 4.137 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)c2cc(-c3ccco3)nc3ccccc32)c1 ZINC000033083798 821031469 /nfs/dbraw/zinc/03/14/69/821031469.db2.gz QZGQNCLIZRKFHK-UHFFFAOYSA-N 1 0 385.467 4.486 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)CCCOc2ccc(Cl)cc2Cl)CC1 ZINC000060404506 823524052 /nfs/dbraw/zinc/52/40/52/823524052.db2.gz KKEQZDHYJGXFPG-UHFFFAOYSA-N 1 0 387.351 4.485 20 0 GIADRO CN(C(=O)C1(c2cccc(C(F)(F)F)c2)CCCCC1)C1CC[NH+](C)CC1 ZINC000460826264 823523503 /nfs/dbraw/zinc/52/35/03/823523503.db2.gz GBSFWYLTYPEZRO-UHFFFAOYSA-N 1 0 382.470 4.460 20 0 GIADRO COc1cc(C[NH2+][C@@H]2COc3ccc(C)cc32)ccc1OCc1ccncc1 ZINC000123631289 823527727 /nfs/dbraw/zinc/52/77/27/823527727.db2.gz AKAQAHFTYWTFOH-HXUWFJFHSA-N 1 0 376.456 4.201 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)[C@H](C)Oc2ccc3c(c2)CCC3)cc1 ZINC000033222781 821050593 /nfs/dbraw/zinc/05/05/93/821050593.db2.gz NNMJXRKWQCVOGZ-SFHVURJKSA-N 1 0 380.532 4.101 20 0 GIADRO C[C@H](CC(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccc(Br)cc1 ZINC000123639820 823528290 /nfs/dbraw/zinc/52/82/90/823528290.db2.gz CNLZESXWNVXBDP-OAHLLOKOSA-N 1 0 393.369 4.466 20 0 GIADRO CCOc1ccc(CC(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)cc1 ZINC000036099589 821068597 /nfs/dbraw/zinc/06/85/97/821068597.db2.gz VASDCCZFHPIEBL-NRFANRHFSA-N 1 0 386.923 4.235 20 0 GIADRO C[C@H]([NH2+]C[C@@H](c1cccc(F)c1)N1CCOCC1)c1ccc2ccccc2n1 ZINC000177810240 823528909 /nfs/dbraw/zinc/52/89/09/823528909.db2.gz UKPAZVSXNLTFSL-SBUREZEXSA-N 1 0 379.479 4.098 20 0 GIADRO CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1 ZINC000460858756 823530129 /nfs/dbraw/zinc/53/01/29/823530129.db2.gz JSXIYNYJHGYLBY-LBPRGKRZSA-N 1 0 397.306 4.036 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)Cc2nc(-c3ccccc3)oc2C)CC1 ZINC000123650613 823529262 /nfs/dbraw/zinc/52/92/62/823529262.db2.gz BRXUYXSYWFVNCR-UHFFFAOYSA-N 1 0 383.536 4.163 20 0 GIADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc(N2CCc3ccccc3C2)cc1 ZINC000060453126 823529392 /nfs/dbraw/zinc/52/93/92/823529392.db2.gz CSYAFXYJGCILMJ-HXUWFJFHSA-N 1 0 393.575 4.490 20 0 GIADRO CCc1ccc([C@H](CNC(=O)c2ccc(OC(C)C)c(OC)c2)[NH+](C)C)cc1 ZINC000036684824 821076045 /nfs/dbraw/zinc/07/60/45/821076045.db2.gz WJRPAQSLSCBIPY-FQEVSTJZSA-N 1 0 384.520 4.078 20 0 GIADRO COc1cccc([C@@H](CNC(=O)c2sccc2-n2cccc2)[NH+]2CCCC2)c1 ZINC000036701101 821077741 /nfs/dbraw/zinc/07/77/41/821077741.db2.gz RFEQHORZGPQHSN-HXUWFJFHSA-N 1 0 395.528 4.114 20 0 GIADRO C/C=C/c1ccc(OCC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c(OC)c1 ZINC000036811861 821085784 /nfs/dbraw/zinc/08/57/84/821085784.db2.gz NCFZNPYGTIWGLX-FOZGUINQSA-N 1 0 398.503 4.044 20 0 GIADRO COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000036834406 821087144 /nfs/dbraw/zinc/08/71/44/821087144.db2.gz LXCYJCMAKQTQGB-IRXDYDNUSA-N 1 0 395.503 4.006 20 0 GIADRO Cc1ccc([C@H](CNC(=O)c2c(F)c(F)cc(F)c2F)[NH+]2CCCC2)cc1 ZINC000177782625 823525596 /nfs/dbraw/zinc/52/55/96/823525596.db2.gz YXKHZGQWKJYAMM-INIZCTEOSA-N 1 0 380.385 4.118 20 0 GIADRO O=S(=O)(NCC1CC[NH+](Cc2ccccc2)CC1)c1ccc2ccccc2c1 ZINC000038583524 821098091 /nfs/dbraw/zinc/09/80/91/821098091.db2.gz LUBQSHWRIKSXSF-UHFFFAOYSA-N 1 0 394.540 4.030 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)c1ccc(CSC)cc1)[NH+]1CCCC1 ZINC000039484877 821106676 /nfs/dbraw/zinc/10/66/76/821106676.db2.gz MLAKBTYGOHLHNM-FQEVSTJZSA-N 1 0 384.545 4.125 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)c2cccc(NC(=O)c3cccs3)c2)CC1 ZINC000039564030 821116024 /nfs/dbraw/zinc/11/60/24/821116024.db2.gz OYRQETNAMAJEKB-UHFFFAOYSA-N 1 0 399.560 4.193 20 0 GIADRO C[N@@H+](Cc1ccc(OC(F)F)cc1)C[C@H](O)c1ccccc1C(F)(F)F ZINC000060463758 823530832 /nfs/dbraw/zinc/53/08/32/823530832.db2.gz NEPGFEQNEUYZKU-INIZCTEOSA-N 1 0 375.337 4.472 20 0 GIADRO C[NH+]1CCC(Nc2ccccc2NC(=O)[C@@H]2CCSc3ccccc32)CC1 ZINC000460862203 823531295 /nfs/dbraw/zinc/53/12/95/823531295.db2.gz IWNOJFPULVODCT-GOSISDBHSA-N 1 0 381.545 4.411 20 0 GIADRO CCOc1ccc(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)cc1OC ZINC000060475310 823532218 /nfs/dbraw/zinc/53/22/18/823532218.db2.gz GGHFHLNHVBUSFX-GOSISDBHSA-N 1 0 396.531 4.398 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cccc(OCC(F)(F)F)c1C ZINC000177829324 823532456 /nfs/dbraw/zinc/53/24/56/823532456.db2.gz KCYSVJKNVUXUTQ-CABCVRRESA-N 1 0 385.430 4.027 20 0 GIADRO O[C@@H](CN1CCC[N@H+](CC2CCCCC2)CC1)c1ccccc1C(F)(F)F ZINC000060479539 823532801 /nfs/dbraw/zinc/53/28/01/823532801.db2.gz BGTFHPHGZRMEGD-FQEVSTJZSA-N 1 0 384.486 4.327 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]Cc1ccccc1-n1ccnc1 ZINC000123702439 823533121 /nfs/dbraw/zinc/53/31/21/823533121.db2.gz LSXMEOGMWGMYBQ-OAHLLOKOSA-N 1 0 398.894 4.041 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)[C@@H](C)Cc1ccccc1F)[NH+]1CCCCC1 ZINC000040654329 821163389 /nfs/dbraw/zinc/16/33/89/821163389.db2.gz FVLAUYDGTHDBDU-PGRDOPGGSA-N 1 0 398.522 4.356 20 0 GIADRO CC1CC[NH+]([C@H](CNC(=O)c2cc(-c3ccco3)on2)c2ccccc2)CC1 ZINC000040654476 821164043 /nfs/dbraw/zinc/16/40/43/821164043.db2.gz ATRCFZNMTHNFCZ-LJQANCHMSA-N 1 0 379.460 4.138 20 0 GIADRO Cc1ccc([C@H](CNC(=O)CCC(=O)c2ccc(F)cc2)[NH+]2CCCC2)cc1 ZINC000040654390 821164175 /nfs/dbraw/zinc/16/41/75/821164175.db2.gz ITNHIFWXLGANNF-NRFANRHFSA-N 1 0 382.479 4.050 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)CCc2ncc(-c3ccccc3)o2)[NH+](C)C)cc1 ZINC000041020064 821167358 /nfs/dbraw/zinc/16/73/58/821167358.db2.gz CPLIHVHMJMPWSU-HXUWFJFHSA-N 1 0 377.488 4.002 20 0 GIADRO C[NH+](C)CC(C)(C)CNC(=O)c1cc(C2CC2)nc2onc(CC(C)(C)C)c21 ZINC000060489858 823533860 /nfs/dbraw/zinc/53/38/60/823533860.db2.gz HGPIIJYFEHURPH-UHFFFAOYSA-N 1 0 386.540 4.006 20 0 GIADRO Cc1csc(-c2cccc(C(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)c2)n1 ZINC000041308893 821181756 /nfs/dbraw/zinc/18/17/56/821181756.db2.gz TUGGXMHUZJRRID-GOSISDBHSA-N 1 0 381.501 4.278 20 0 GIADRO Cc1ccc(C(=O)C(C(=S)NCc2ccccc2)[n+]2cccc(C)c2)cc1 ZINC000041466144 821194527 /nfs/dbraw/zinc/19/45/27/821194527.db2.gz UUIPGLIMKOBYNM-UHFFFAOYSA-O 1 0 375.517 4.320 20 0 GIADRO CCN(Cc1ccccc1NC(=O)c1ccc(C[NH+](CC)CC)cc1)C(C)=O ZINC000041479315 821196841 /nfs/dbraw/zinc/19/68/41/821196841.db2.gz GJELTYTUKQAQRL-UHFFFAOYSA-N 1 0 381.520 4.149 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000177845687 823535261 /nfs/dbraw/zinc/53/52/61/823535261.db2.gz YPPFZSLFMBGQHS-SJORKVTESA-N 1 0 376.932 4.031 20 0 GIADRO COc1ccc(OCCC(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000060547842 823540797 /nfs/dbraw/zinc/54/07/97/823540797.db2.gz SVXSZHJPAKEXJG-GOSISDBHSA-N 1 0 382.504 4.335 20 0 GIADRO CCN(C(=O)N[C@H](C[N@H+](C)Cc1ccccc1)C(C)C)[C@H]1CCOC(C)(C)C1 ZINC000460889571 823536358 /nfs/dbraw/zinc/53/63/58/823536358.db2.gz NORAKBPIIDOAFP-LEWJYISDSA-N 1 0 389.584 4.132 20 0 GIADRO COc1cc(C[NH2+]C2(c3cccc(Br)c3)CC2)cc2c1OCCO2 ZINC000123741864 823536462 /nfs/dbraw/zinc/53/64/62/823536462.db2.gz NYUNSGJLGUXUFA-UHFFFAOYSA-N 1 0 390.277 4.008 20 0 GIADRO C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2ccccc2Oc2ccccc2)CCN1C ZINC000123741917 823536517 /nfs/dbraw/zinc/53/65/17/823536517.db2.gz SQPHZIZBAHPNMB-MOPGFXCFSA-N 1 0 381.520 4.222 20 0 GIADRO COc1ccc(-c2nc3c(s2)[C@H]([NH2+]CCCc2c[nH]nc2C)CCC3)cc1 ZINC000177853944 823536561 /nfs/dbraw/zinc/53/65/61/823536561.db2.gz FVUSMOZNJCUFSN-GOSISDBHSA-N 1 0 382.533 4.450 20 0 GIADRO O=C(c1ccccc1)N1CCC([NH2+][C@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000177856297 823536940 /nfs/dbraw/zinc/53/69/40/823536940.db2.gz UJYZKXOOWUCGIL-NRFANRHFSA-N 1 0 376.500 4.327 20 0 GIADRO CC[N@@H+]1CC[C@H](CN[C@@H](C)c2ccc(Br)cc2Br)C1 ZINC000041651875 821215928 /nfs/dbraw/zinc/21/59/28/821215928.db2.gz ISGLRIQTWKEOIT-NWDGAFQWSA-N 1 0 390.163 4.204 20 0 GIADRO C[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000123753658 823537598 /nfs/dbraw/zinc/53/75/98/823537598.db2.gz LINPMQWNSQSWGU-SFHVURJKSA-N 1 0 393.531 4.208 20 0 GIADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000041791847 821230826 /nfs/dbraw/zinc/23/08/26/821230826.db2.gz NVJQMNXMTMLWSV-GOSISDBHSA-N 1 0 375.472 4.223 20 0 GIADRO C[N@@H+]1CC[C@@H](CNC(=O)CC2CCSCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123759153 823537974 /nfs/dbraw/zinc/53/79/74/823537974.db2.gz IKSUYSBODWACQF-KXBFYZLASA-N 1 0 384.948 4.121 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)C1(Cc2ccccc2Br)CC1 ZINC000411051672 823538004 /nfs/dbraw/zinc/53/80/04/823538004.db2.gz UIEXTBWTGZJXDB-UHFFFAOYSA-N 1 0 381.358 4.008 20 0 GIADRO CCOc1c(Cl)cccc1CC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000190108357 823538128 /nfs/dbraw/zinc/53/81/28/823538128.db2.gz ZWHJZDSEORQPQN-WBVHZDCISA-N 1 0 378.944 4.050 20 0 GIADRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000041840330 821235945 /nfs/dbraw/zinc/23/59/45/821235945.db2.gz YJINJJJEXJLTLB-QGZVFWFLSA-N 1 0 376.460 4.022 20 0 GIADRO COc1cc(OC)c(OC)cc1C[NH2+]C[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000060527706 823538590 /nfs/dbraw/zinc/53/85/90/823538590.db2.gz YUOYVFXJZUONBC-NRFANRHFSA-N 1 0 398.547 4.275 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NC[C@H](c2ccccc2)C(C)C)c1 ZINC000042000097 821252560 /nfs/dbraw/zinc/25/25/60/821252560.db2.gz XHUKYYZQEBGFAF-QFIPXVFZSA-N 1 0 395.547 4.023 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)c1ccc(NC(N)=O)cc1)C1CCCCC1 ZINC000042012194 821254132 /nfs/dbraw/zinc/25/41/32/821254132.db2.gz JZTYQXCESQRTSK-UHFFFAOYSA-N 1 0 380.492 4.194 20 0 GIADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1ccccc1SC1CCCC1 ZINC000190118329 823539586 /nfs/dbraw/zinc/53/95/86/823539586.db2.gz POQWVRMFOHRUME-MRXNPFEDSA-N 1 0 391.581 4.030 20 0 GIADRO COc1ccc2c(c1)CCN2C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000060545138 823540341 /nfs/dbraw/zinc/54/03/41/823540341.db2.gz KUAMAMOKGJPDEY-GOSISDBHSA-N 1 0 393.531 4.199 20 0 GIADRO C[C@H](Cc1ccc(Br)cc1)[NH2+]C1CCN(C(=O)C(C)(C)C)CC1 ZINC000177885929 823541351 /nfs/dbraw/zinc/54/13/51/823541351.db2.gz JQDLHOVUQKDWNC-CQSZACIVSA-N 1 0 381.358 4.007 20 0 GIADRO CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(F)c2cccnc12 ZINC000042122182 821269628 /nfs/dbraw/zinc/26/96/28/821269628.db2.gz PGEQQMWTQWBWIP-UHFFFAOYSA-N 1 0 381.451 4.233 20 0 GIADRO Cc1cc(C(=O)CCC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)c(C)s1 ZINC000042127173 821270421 /nfs/dbraw/zinc/27/04/21/821270421.db2.gz AXDNRBWCPJTCMJ-UHFFFAOYSA-N 1 0 398.572 4.417 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H](C)Oc2ccccc2Cl)CC1 ZINC000042127404 821270818 /nfs/dbraw/zinc/27/08/18/821270818.db2.gz RYUDTVAHXWHDMG-KRWDZBQOSA-N 1 0 386.923 4.197 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(Cl)cc2C)c(OC)c1 ZINC000042184398 821280898 /nfs/dbraw/zinc/28/08/98/821280898.db2.gz BLXBTTJJGZMUGT-UONOGXRCSA-N 1 0 376.884 4.343 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000042354225 821303452 /nfs/dbraw/zinc/30/34/52/821303452.db2.gz LYNFYRTVIBULSF-SLFFLAALSA-N 1 0 380.536 4.328 20 0 GIADRO COc1ccc(CN(C)C(=O)[C@@H](C)[N@@H+]2CCC[C@@H]2c2cccs2)cc1F ZINC000042356277 821304039 /nfs/dbraw/zinc/30/40/39/821304039.db2.gz ZJSGKWXVHOBNLO-RHSMWYFYSA-N 1 0 376.497 4.080 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)C[N@@H+](C)C2CCC(C)CC2)c(C(F)(F)F)c1 ZINC000042475153 821308278 /nfs/dbraw/zinc/30/82/78/821308278.db2.gz OPWYUFSUYLYGHV-UHFFFAOYSA-N 1 0 385.430 4.113 20 0 GIADRO CC(C)C[NH+]1CCN([C@H](C)C(=O)Nc2ccccc2Oc2ccccc2)CC1 ZINC000042508415 821309512 /nfs/dbraw/zinc/30/95/12/821309512.db2.gz QVGHWXJAQVLTLD-LJQANCHMSA-N 1 0 381.520 4.080 20 0 GIADRO O[C@@H](COc1ccc2ccccc2c1)C[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000042634975 821316841 /nfs/dbraw/zinc/31/68/41/821316841.db2.gz ZJIJNWMAOIUOTC-ILBGXUMGSA-N 1 0 391.511 4.025 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1nc(SC)n2ccccc12 ZINC000060552643 823541593 /nfs/dbraw/zinc/54/15/93/823541593.db2.gz ZHDTXKUQPQJFSX-UHFFFAOYSA-N 1 0 398.532 4.029 20 0 GIADRO c1cc(-c2nc3ccccc3s2)oc1C[NH2+][C@H]1CCCN(c2ncccn2)C1 ZINC000042797443 821333527 /nfs/dbraw/zinc/33/35/27/821333527.db2.gz JTWVQXBXMWANMZ-HNNXBMFYSA-N 1 0 391.500 4.105 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(F)cc2F)CC1 ZINC000042803474 821334584 /nfs/dbraw/zinc/33/45/84/821334584.db2.gz CBYUWLVCOPERHR-INIZCTEOSA-N 1 0 387.474 4.298 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)NCc2nc3ccccc3s2)c1 ZINC000042817292 821335411 /nfs/dbraw/zinc/33/54/11/821335411.db2.gz ZAIUSLKXLXXOPY-UHFFFAOYSA-N 1 0 382.533 4.138 20 0 GIADRO Cc1cc(CSc2ccccc2C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)on1 ZINC000043085740 821358821 /nfs/dbraw/zinc/35/88/21/821358821.db2.gz TVVBYOOQNWJFLM-IRXDYDNUSA-N 1 0 387.549 4.268 20 0 GIADRO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000043085882 821359379 /nfs/dbraw/zinc/35/93/79/821359379.db2.gz ZOQOMWGUSWFAIT-QWHCGFSZSA-N 1 0 393.890 4.435 20 0 GIADRO CC(C)[C@@H](NC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)c1nc2ccccc2[nH]1 ZINC000043105569 821361484 /nfs/dbraw/zinc/36/14/84/821361484.db2.gz JYHWEFXRUUPFFL-YLJYHZDGSA-N 1 0 385.556 4.071 20 0 GIADRO CC(C)(CNC(=O)c1ccccc1SCc1cscn1)[NH+]1CCCCC1 ZINC000043109420 821362598 /nfs/dbraw/zinc/36/25/98/821362598.db2.gz QGGXJWUDDOWXEQ-UHFFFAOYSA-N 1 0 389.590 4.430 20 0 GIADRO C[NH+](C)CCN(Cc1ccccc1)C(=O)Nc1ccccc1Br ZINC000043133441 821364983 /nfs/dbraw/zinc/36/49/83/821364983.db2.gz VBMJJQVLNWURLA-UHFFFAOYSA-N 1 0 376.298 4.045 20 0 GIADRO O=C(Nc1cccc(Br)c1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000043134476 821365613 /nfs/dbraw/zinc/36/56/13/821365613.db2.gz MFYFYGNRGCDUGF-UHFFFAOYSA-N 1 0 388.309 4.189 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N[C@H](c1ccco1)c1ccccc1 ZINC000043137226 821366491 /nfs/dbraw/zinc/36/64/91/821366491.db2.gz NZUUQTLURFRUAC-KNQAVFIVSA-N 1 0 393.487 4.488 20 0 GIADRO CC(C)Oc1ccc([C@@H](C)NC(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1 ZINC000043143911 821367498 /nfs/dbraw/zinc/36/74/98/821367498.db2.gz ZVJYPIUXLKSCGF-CRAIPNDOSA-N 1 0 375.538 4.198 20 0 GIADRO Cc1cc(Br)cc(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)c1O ZINC000180629245 821374553 /nfs/dbraw/zinc/37/45/53/821374553.db2.gz QKHGWAFQQXAUNM-GOSISDBHSA-N 1 0 398.341 4.013 20 0 GIADRO CCCN(C(=O)NC1CC[NH+](C)CC1)[C@@H](C)c1ccccc1Br ZINC000043180050 821374819 /nfs/dbraw/zinc/37/48/19/821374819.db2.gz YADSQKAFURXANM-AWEZNQCLSA-N 1 0 382.346 4.026 20 0 GIADRO COc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccc(C)cc3Cl)CC2)cc1 ZINC000043188150 821376296 /nfs/dbraw/zinc/37/62/96/821376296.db2.gz BAUHDDYIVSHBIM-UHFFFAOYSA-N 1 0 387.911 4.397 20 0 GIADRO CC(C)CO[C@H]1CC[N@H+](Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC000180634023 821376443 /nfs/dbraw/zinc/37/64/43/821376443.db2.gz VQKANWFOVSGRNJ-QHCPKHFHSA-N 1 0 390.531 4.240 20 0 GIADRO Cc1ccc([C@H](NC(=O)N2CCC([NH+]3CCCC3)CC2)c2ccccc2)cc1 ZINC000043228433 821377314 /nfs/dbraw/zinc/37/73/14/821377314.db2.gz FQXDJYPLHFCHOB-HSZRJFAPSA-N 1 0 377.532 4.354 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(NC(=O)OC)cc1)c1ccccc1 ZINC000043230317 821377330 /nfs/dbraw/zinc/37/73/30/821377330.db2.gz AWAPIWLCOBRZOA-IBGZPJMESA-N 1 0 384.480 4.070 20 0 GIADRO Cc1cnn(-c2ccc(C)cc2NC(=O)N2CCC(CCC[NH+](C)C)CC2)c1 ZINC000180636100 821377709 /nfs/dbraw/zinc/37/77/09/821377709.db2.gz ZDIQGSYHVBQUCZ-UHFFFAOYSA-N 1 0 383.540 4.075 20 0 GIADRO C[C@@H]1c2ccsc2CCN1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000043231426 821378126 /nfs/dbraw/zinc/37/81/26/821378126.db2.gz BNCXDJRGDOWPDO-GDBMZVCRSA-N 1 0 375.563 4.275 20 0 GIADRO C[C@H](c1nc2ccccc2s1)N(C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000043239380 821379991 /nfs/dbraw/zinc/37/99/91/821379991.db2.gz IMDAYUILRYZLGJ-AEFFLSMTSA-N 1 0 394.544 4.273 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)Nc1ccc(Br)cc1F ZINC000043260230 821382086 /nfs/dbraw/zinc/38/20/86/821382086.db2.gz CVFJQLMIXFWYMD-OAHLLOKOSA-N 1 0 396.260 4.140 20 0 GIADRO Cc1cc(F)ccc1-c1ccc(C[N@H+]2CCC[C@H]([C@H](O)c3nccn3C)C2)o1 ZINC000180651329 821383010 /nfs/dbraw/zinc/38/30/10/821383010.db2.gz AVFWHBMEKSGAJU-KKSFZXQISA-N 1 0 383.467 4.073 20 0 GIADRO Cc1cc(F)ccc1-c1ccc(C[N@H+]2CCC[C@@H]([C@H](O)c3nccn3C)C2)o1 ZINC000180651348 821383253 /nfs/dbraw/zinc/38/32/53/821383253.db2.gz AVFWHBMEKSGAJU-IERDGZPVSA-N 1 0 383.467 4.073 20 0 GIADRO CCCN(C(=O)NC1CC[NH+](CC)CC1)[C@@H](C)c1ccccc1Br ZINC000043292339 821387370 /nfs/dbraw/zinc/38/73/70/821387370.db2.gz VNPNIJMAKCOFNI-HNNXBMFYSA-N 1 0 396.373 4.416 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(N(C)C)cc1 ZINC000043302888 821387990 /nfs/dbraw/zinc/38/79/90/821387990.db2.gz WGEZIYGEMLJIHL-KBPBESRZSA-N 1 0 379.426 4.449 20 0 GIADRO COc1ccc(NC(=O)[C@H]([NH2+]CCc2ccccn2)c2ccccc2)cc1Cl ZINC000043305260 821388619 /nfs/dbraw/zinc/38/86/19/821388619.db2.gz RQRUBAMERFOGAZ-OAQYLSRUSA-N 1 0 395.890 4.256 20 0 GIADRO CCN(Cc1ccncc1)C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000043307303 821389894 /nfs/dbraw/zinc/38/98/94/821389894.db2.gz MUCUCHZHDLWAEA-FQEVSTJZSA-N 1 0 386.927 4.104 20 0 GIADRO C[C@@H](CC(=O)N1CCCCCC1)[NH2+]CC1(c2ccccc2Cl)CCOCC1 ZINC000180676195 821391478 /nfs/dbraw/zinc/39/14/78/821391478.db2.gz YINZESMDLYJBAW-SFHVURJKSA-N 1 0 392.971 4.159 20 0 GIADRO Cc1cc2ncc([C@H](C)[NH2+]CCOc3ccccc3C(F)(F)F)c(C)n2n1 ZINC000180678857 821393104 /nfs/dbraw/zinc/39/31/04/821393104.db2.gz NQOCVWMMBCLPRJ-ZDUSSCGKSA-N 1 0 378.398 4.095 20 0 GIADRO COc1ccc(NC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)cc1Cl ZINC000043332017 821393843 /nfs/dbraw/zinc/39/38/43/821393843.db2.gz LLYMDYOTKLFFAO-UHFFFAOYSA-N 1 0 387.911 4.397 20 0 GIADRO COc1ccc(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1Cl ZINC000043332297 821394373 /nfs/dbraw/zinc/39/43/73/821394373.db2.gz SMLSUFCULZMMPK-INIZCTEOSA-N 1 0 377.872 4.290 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc(-n2cnnn2)cc1)c1nc(-c2ccccc2)cs1 ZINC000180685668 821394893 /nfs/dbraw/zinc/39/48/93/821394893.db2.gz QOHJJHMTGHSBQG-HUUCEWRRSA-N 1 0 376.489 4.198 20 0 GIADRO CC(C)N(CC[NH+](C)C)C(=O)Nc1ccccc1CN1CCc2ccccc21 ZINC000180685688 821394950 /nfs/dbraw/zinc/39/49/50/821394950.db2.gz SUOJARSYTOVFMH-UHFFFAOYSA-N 1 0 380.536 4.053 20 0 GIADRO CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000180689335 821396181 /nfs/dbraw/zinc/39/61/81/821396181.db2.gz LWDACNFAPPGZIH-IFXJQAMLSA-N 1 0 394.437 4.308 20 0 GIADRO COc1ccc(C[N@@H+]2CCCN(C(=O)Nc3cc(Cl)ccc3C)CC2)cc1 ZINC000043357234 821397123 /nfs/dbraw/zinc/39/71/23/821397123.db2.gz MXPXTANYYIRPPE-UHFFFAOYSA-N 1 0 387.911 4.397 20 0 GIADRO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)c(C)c1 ZINC000180691933 821397879 /nfs/dbraw/zinc/39/78/79/821397879.db2.gz RXNABOUHONKZGW-BEFAXECRSA-N 1 0 394.437 4.363 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)s1 ZINC000180693186 821398207 /nfs/dbraw/zinc/39/82/07/821398207.db2.gz SLXKVMNWCLCOQN-XHDPSFHLSA-N 1 0 388.455 4.043 20 0 GIADRO Cc1c([C@@H](C)NC(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)cnn1C ZINC000043390866 821401108 /nfs/dbraw/zinc/40/11/08/821401108.db2.gz HJEAMACDSHUHQT-MRXNPFEDSA-N 1 0 383.540 4.376 20 0 GIADRO O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000180710148 821410057 /nfs/dbraw/zinc/41/00/57/821410057.db2.gz MFORRGXYPQUFIV-ZWKOTPCHSA-N 1 0 381.442 4.036 20 0 GIADRO Cc1ccc([C@H]([NH2+][C@H]2CCCSC2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000180710050 821410247 /nfs/dbraw/zinc/41/02/47/821410247.db2.gz ZDNRPIYFIGJRPP-GHTZIAJQSA-N 1 0 389.586 4.282 20 0 GIADRO O=C(NCC(c1ccccc1)c1ccccc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000043476249 821412247 /nfs/dbraw/zinc/41/22/47/821412247.db2.gz HXQPMEBSKSZROW-UHFFFAOYSA-N 1 0 391.559 4.336 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@@H]2CCOc3ccc(F)cc32)cc1Cn1cccn1 ZINC000180715856 821414135 /nfs/dbraw/zinc/41/41/35/821414135.db2.gz WVKOZXJNPHEMOO-FOIQADDNSA-N 1 0 381.451 4.254 20 0 GIADRO CCOc1cccc([C@H](C)[NH2+]CC(=O)N[C@@H](c2ccc(OC)cc2)C2CC2)c1 ZINC000180715900 821414260 /nfs/dbraw/zinc/41/42/60/821414260.db2.gz YIKQHIQJSHTXSK-QMHKHESXSA-N 1 0 382.504 4.012 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCOc2ccc(F)cc21)c1ccc(OCc2nccn2C)cc1 ZINC000180717733 821415645 /nfs/dbraw/zinc/41/56/45/821415645.db2.gz SOEXYLDTKSFGCM-FOIQADDNSA-N 1 0 381.451 4.313 20 0 GIADRO CC[C@H]1c2ccsc2CCN1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000043489867 821415793 /nfs/dbraw/zinc/41/57/93/821415793.db2.gz QESCFBOBCAQRMM-FQEVSTJZSA-N 1 0 398.576 4.350 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CCC[C@H]1c1ccc(F)cc1 ZINC000043490625 821415964 /nfs/dbraw/zinc/41/59/64/821415964.db2.gz HWQBUEQUVIUQSM-QFIPXVFZSA-N 1 0 396.510 4.255 20 0 GIADRO Cc1cc(N2CCCC2)ccc1NC(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000043496488 821418212 /nfs/dbraw/zinc/41/82/12/821418212.db2.gz FNDYPFKHLCLEKQ-UHFFFAOYSA-N 1 0 380.536 4.191 20 0 GIADRO COc1cc([C@H](C)[NH2+]CCCNC(=O)c2ccc(F)cc2)ccc1SC ZINC000180722894 821418288 /nfs/dbraw/zinc/41/82/88/821418288.db2.gz UVWRTIIIRMJHFB-AWEZNQCLSA-N 1 0 376.497 4.027 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)N(C)Cc2ccccc2OC(F)(F)F)o1 ZINC000043507310 821420132 /nfs/dbraw/zinc/42/01/32/821420132.db2.gz VVQOBCNQZFSRLF-UHFFFAOYSA-N 1 0 384.398 4.292 20 0 GIADRO C[C@@H]1C[C@@H](N[C@H](c2cnn(C)c2)c2cccc(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000180727058 821420237 /nfs/dbraw/zinc/42/02/37/821420237.db2.gz ITYUJMDXYMWNEB-DKLXNKCPSA-N 1 0 392.522 4.291 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)NCc3cccc(Cl)c3)c(C)c2)CC1 ZINC000043523157 821422702 /nfs/dbraw/zinc/42/27/02/821422702.db2.gz WEGIKRCWMBHJLD-UHFFFAOYSA-N 1 0 386.927 4.112 20 0 GIADRO CC(C)OCc1c2ccccc2oc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000043544909 821424154 /nfs/dbraw/zinc/42/41/54/821424154.db2.gz YSUDXPOGHNPHIF-LJQANCHMSA-N 1 0 392.499 4.362 20 0 GIADRO C[C@@H]([NH2+]CC1(N2CCCCC2)CCOCC1)c1ccc(OC(F)(F)F)cc1 ZINC000180737647 821425680 /nfs/dbraw/zinc/42/56/80/821425680.db2.gz UEYREWTURZJHFV-MRXNPFEDSA-N 1 0 386.458 4.271 20 0 GIADRO N#CCOc1ccc(NC(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)cc1 ZINC000043558819 821427547 /nfs/dbraw/zinc/42/75/47/821427547.db2.gz JQGVWUFGMXSYCE-HXUWFJFHSA-N 1 0 398.894 4.201 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)N[C@H](C)c2cc(C)sc2C)CC1 ZINC000043574561 821429221 /nfs/dbraw/zinc/42/92/21/821429221.db2.gz RDJGTTBOUSLCQG-MRXNPFEDSA-N 1 0 386.565 4.390 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)N2CCC[C@H]2c2cccs2)CC1 ZINC000043586181 821429533 /nfs/dbraw/zinc/42/95/33/821429533.db2.gz UMLBMPSSAYNUEJ-IBGZPJMESA-N 1 0 384.549 4.259 20 0 GIADRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)Nc1nc(C(F)(F)F)cs1 ZINC000043635338 821433707 /nfs/dbraw/zinc/43/37/07/821433707.db2.gz SPJMSXGPSGLALT-CYBMUJFWSA-N 1 0 384.427 4.121 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)c2ccc(C(F)(F)F)nc2C)CC1 ZINC000180752902 821434703 /nfs/dbraw/zinc/43/47/03/821434703.db2.gz AXUXMKGGRFQSLX-UHFFFAOYSA-N 1 0 385.474 4.383 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)Cc2c[nH]c3ccc(OC)cc23)CC1 ZINC000180754425 821436134 /nfs/dbraw/zinc/43/61/34/821436134.db2.gz YMKJVJYXXYMBBN-UHFFFAOYSA-N 1 0 385.552 4.080 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)c2ccc(NC(=O)C3CC3)cc2)CC1 ZINC000180755866 821436657 /nfs/dbraw/zinc/43/66/57/821436657.db2.gz JOZDSRQMHRXWCR-UHFFFAOYSA-N 1 0 385.552 4.009 20 0 GIADRO O=C(CCC[NH2+][C@@H]1CCCOc2cc3c(cc21)CCC3)N1Cc2ccccc2C1 ZINC000180757248 821437461 /nfs/dbraw/zinc/43/74/61/821437461.db2.gz FBOCZTHKTWHNRB-HSZRJFAPSA-N 1 0 390.527 4.301 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)c2nc(SC)n3ccccc23)CC1 ZINC000180760177 821439310 /nfs/dbraw/zinc/43/93/10/821439310.db2.gz DOUSXOIJZZZYQR-UHFFFAOYSA-N 1 0 388.581 4.030 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)c2ccc(NC(=O)C(C)C)cc2)CC1 ZINC000180760102 821439428 /nfs/dbraw/zinc/43/94/28/821439428.db2.gz OZSUTSQUSPJTCG-UHFFFAOYSA-N 1 0 387.568 4.255 20 0 GIADRO COc1cc(C[N@@H+]2CCC[C@@H]2CC(=O)c2ccc(F)cc2)cc(OC)c1OC ZINC000180765113 821441880 /nfs/dbraw/zinc/44/18/80/821441880.db2.gz AOUGRUNDZSIDHW-GOSISDBHSA-N 1 0 387.451 4.089 20 0 GIADRO CCc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3nc(-c4ccccc4)cs3)C2)ncn1 ZINC000180776485 821449800 /nfs/dbraw/zinc/44/98/00/821449800.db2.gz JMOAQNZJPGEQBC-QFBILLFUSA-N 1 0 393.560 4.482 20 0 GIADRO Cc1cccc([C@@H]([NH2+]CC(=O)Nc2ccc(C(=O)N(C)C)cc2)C(C)(C)C)c1 ZINC000180788270 821458755 /nfs/dbraw/zinc/45/87/55/821458755.db2.gz PXJDNHRXDBPQHW-OAQYLSRUSA-N 1 0 381.520 4.012 20 0 GIADRO C[C@H]([NH2+]CCNC(=O)c1c(F)cccc1F)c1ccc(SC(F)F)cc1 ZINC000180789446 821459289 /nfs/dbraw/zinc/45/92/89/821459289.db2.gz UNIIJMDPDLNHQS-NSHDSACASA-N 1 0 386.414 4.360 20 0 GIADRO Cc1ncc(C[N@@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)n1-c1ccccc1 ZINC000180803137 821466748 /nfs/dbraw/zinc/46/67/48/821466748.db2.gz KSTUXLXZZLUVBH-KRWDZBQOSA-N 1 0 389.425 4.233 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CCCOc2cccc3cccnc32)cc1NC(C)=O ZINC000180803976 821467484 /nfs/dbraw/zinc/46/74/84/821467484.db2.gz ZOKMNVXTRZQUMN-MRXNPFEDSA-N 1 0 393.487 4.322 20 0 GIADRO CC(C)OCc1ccc(NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000180817478 821478020 /nfs/dbraw/zinc/47/80/20/821478020.db2.gz UGFJTSVXSNQDKE-UHFFFAOYSA-N 1 0 382.508 4.045 20 0 GIADRO CCc1cccc(CC)c1NC(=O)C[NH2+][C@H](C)c1ccc(-n2cccn2)cc1 ZINC000180819568 821479284 /nfs/dbraw/zinc/47/92/84/821479284.db2.gz DCMLTOZEODICBE-QGZVFWFLSA-N 1 0 376.504 4.286 20 0 GIADRO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2cc(C)c(OCc3cccc(C)c3)c(C)c2)C1 ZINC000180825418 821482358 /nfs/dbraw/zinc/48/23/58/821482358.db2.gz YYRPZPAXSVZNDC-HSZRJFAPSA-N 1 0 394.559 4.491 20 0 GIADRO CC(C)[C@H]([NH2+]C1CCC2(CC1)c1ccccc1NC2=O)c1nc(C2CC2)no1 ZINC000180854381 821496946 /nfs/dbraw/zinc/49/69/46/821496946.db2.gz BFDXFYNTXGKEIJ-TUAABQIMSA-N 1 0 380.492 4.066 20 0 GIADRO Cc1cc(C)c(NC(=O)CCC[N@@H+]2CCC[C@H](c3nncn3C3CC3)C2)c(C)c1 ZINC000180857030 821497521 /nfs/dbraw/zinc/49/75/21/821497521.db2.gz OGOPIVHQIZAHAK-IBGZPJMESA-N 1 0 395.551 4.137 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]CCc2nc3c(cccc3F)n2C)cc1 ZINC000180861325 821499377 /nfs/dbraw/zinc/49/93/77/821499377.db2.gz WQMRTZYTBAAJAE-OAHLLOKOSA-N 1 0 377.467 4.100 20 0 GIADRO CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]CCc1nc2c(cccc2F)n1C ZINC000180860919 821499396 /nfs/dbraw/zinc/49/93/96/821499396.db2.gz TYBJRUXRYGBAJM-MRXNPFEDSA-N 1 0 396.510 4.385 20 0 GIADRO CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]CCc1nc2c(cccc2F)n1C ZINC000180860938 821499545 /nfs/dbraw/zinc/49/95/45/821499545.db2.gz TYBJRUXRYGBAJM-INIZCTEOSA-N 1 0 396.510 4.385 20 0 GIADRO COc1ccc2cc(CNC(=O)N[C@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)ccc2c1 ZINC000180861892 821500247 /nfs/dbraw/zinc/50/02/47/821500247.db2.gz BEIYQFVJVFZXSC-DYESRHJHSA-N 1 0 395.547 4.301 20 0 GIADRO COc1cc([C@H](C)[NH2+]CCc2nc3c(cccc3F)n2C)ccc1OC(F)F ZINC000180862576 821500376 /nfs/dbraw/zinc/50/03/76/821500376.db2.gz CYXTVCIVJCEBLC-LBPRGKRZSA-N 1 0 393.409 4.216 20 0 GIADRO C[C@H](NC(=O)Nc1ccc(OC(F)(F)F)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180864707 821501208 /nfs/dbraw/zinc/50/12/08/821501208.db2.gz TZZBSNYXJLRMML-KBPBESRZSA-N 1 0 385.430 4.360 20 0 GIADRO CC(C)CC(=O)Nc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccccc2)cc1 ZINC000044031488 821507726 /nfs/dbraw/zinc/50/77/26/821507726.db2.gz XIINVQWACCWTCX-UHFFFAOYSA-N 1 0 396.535 4.267 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1Cl)c1ccc(-c2ccncc2)cc1 ZINC000180883352 821511490 /nfs/dbraw/zinc/51/14/90/821511490.db2.gz KYQIIVJTNNSBNA-JXFKEZNVSA-N 1 0 382.891 4.493 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(NC(C)=O)c(C)c1)c1ccccc1 ZINC000044048661 821511713 /nfs/dbraw/zinc/51/17/13/821511713.db2.gz WNYGHBKHFROLQJ-NRFANRHFSA-N 1 0 382.508 4.158 20 0 GIADRO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(-c3ccncc3)cc2)c(OC)c1 ZINC000180884764 821512394 /nfs/dbraw/zinc/51/23/94/821512394.db2.gz PMGTXBHZRBQESP-INIZCTEOSA-N 1 0 391.471 4.055 20 0 GIADRO CC[NH+](CC)CCN(CC(C)C)C(=O)Nc1cccc(NC(=O)C(C)C)c1 ZINC000044083074 821519036 /nfs/dbraw/zinc/51/90/36/821519036.db2.gz VYFYRQQKJPXUCM-UHFFFAOYSA-N 1 0 376.545 4.113 20 0 GIADRO C[C@H]([NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1)c1ccc(-c2ccncc2)cc1 ZINC000180892223 821519330 /nfs/dbraw/zinc/51/93/30/821519330.db2.gz CGLGPNQYHPORMC-HNNXBMFYSA-N 1 0 390.874 4.261 20 0 GIADRO COc1cc([C@H](C)[NH2+]CCc2nc(-c3cccc(Cl)c3)no2)ccc1F ZINC000180901569 821525442 /nfs/dbraw/zinc/52/54/42/821525442.db2.gz QMQFZPMMWVWWCU-LBPRGKRZSA-N 1 0 375.831 4.431 20 0 GIADRO C[C@H]([NH2+]CCc1nc(-c2cccc(Cl)c2)no1)c1ccc(-n2ccnc2)cc1 ZINC000180902038 821526032 /nfs/dbraw/zinc/52/60/32/821526032.db2.gz BMVWUBDOFBJZKA-HNNXBMFYSA-N 1 0 393.878 4.469 20 0 GIADRO COc1ccc(OC)c([C@@H](C)[NH2+]CCc2nc(-c3cccc(Cl)c3)no2)c1 ZINC000180902758 821526554 /nfs/dbraw/zinc/52/65/54/821526554.db2.gz ZEMUPPJZKVHXAQ-CYBMUJFWSA-N 1 0 387.867 4.301 20 0 GIADRO COc1ccc2c(c1)C[C@H]([NH2+]CCc1nc(-c3cccc(Cl)c3)no1)CC2 ZINC000180902857 821526584 /nfs/dbraw/zinc/52/65/84/821526584.db2.gz ROPPWLBQFMIPMD-GOSISDBHSA-N 1 0 383.879 4.088 20 0 GIADRO Cc1cccc(N2CC[NH+](Cc3ccc(NC(=S)NC(C)C)cc3)CC2)c1 ZINC000044133645 821530332 /nfs/dbraw/zinc/53/03/32/821530332.db2.gz LTEYLRYSSNPTFB-UHFFFAOYSA-N 1 0 382.577 4.012 20 0 GIADRO COC(=O)COc1cccc(C[NH2+][C@H](C)c2cccc(-c3ccncc3)c2)c1 ZINC000180910552 821531817 /nfs/dbraw/zinc/53/18/17/821531817.db2.gz PPYNEKIYNPGYQI-QGZVFWFLSA-N 1 0 376.456 4.151 20 0 GIADRO COc1ccc(CN2CC[C@H]([NH2+][C@@H](C)c3ccc(SC)c(F)c3)C2=O)cc1 ZINC000180917457 821536879 /nfs/dbraw/zinc/53/68/79/821536879.db2.gz YEAPYDIPRBJOGJ-LIRRHRJNSA-N 1 0 388.508 4.008 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)COc1cccc2[nH]ccc21)c1ccc(-c2ccncc2)cc1 ZINC000180932117 821544762 /nfs/dbraw/zinc/54/47/62/821544762.db2.gz TVRZRLYTGGZEND-LAUBAEHRSA-N 1 0 387.483 4.320 20 0 GIADRO C[C@@H]([NH2+]C[C@H](O)COc1cccc2[nH]ccc21)c1ccc(-c2ccncc2)cc1 ZINC000180932099 821544918 /nfs/dbraw/zinc/54/49/18/821544918.db2.gz TVRZRLYTGGZEND-UTKZUKDTSA-N 1 0 387.483 4.320 20 0 GIADRO FC(F)(F)c1cccc(-c2ccc(C[NH2+]CCCOC[C@@H]3CCOC3)o2)c1 ZINC000180946056 821551145 /nfs/dbraw/zinc/55/11/45/821551145.db2.gz ZSGFAIBVAXQNDO-HNNXBMFYSA-N 1 0 383.410 4.498 20 0 GIADRO C[C@H]([NH2+]Cc1cc(=O)oc2cc(O)ccc12)c1ccc(OCC(F)(F)F)cc1 ZINC000180957465 821556250 /nfs/dbraw/zinc/55/62/50/821556250.db2.gz LZZUHTGBOQKFIQ-LBPRGKRZSA-N 1 0 393.361 4.291 20 0 GIADRO CCc1nc2ccccc2n1C1CC[NH+](Cc2cc(F)cc3c2OCOC3)CC1 ZINC000180964363 821559638 /nfs/dbraw/zinc/55/96/38/821559638.db2.gz OVTAKUGPPDJHQB-UHFFFAOYSA-N 1 0 395.478 4.441 20 0 GIADRO CCc1nc2ccccc2n1C1CC[NH+](C[C@H](O)c2ccc(F)cc2F)CC1 ZINC000180966177 821560873 /nfs/dbraw/zinc/56/08/73/821560873.db2.gz CZEBAFZIDNKVCO-NRFANRHFSA-N 1 0 385.458 4.247 20 0 GIADRO COc1ccc(C(=O)N2CCC([NH2+][C@@H](C)[C@@H](C)c3ccccc3)CC2)cc1OC ZINC000180971687 821564987 /nfs/dbraw/zinc/56/49/87/821564987.db2.gz OPTVEZCKDDLGTE-MSOLQXFVSA-N 1 0 396.531 4.090 20 0 GIADRO COc1ccc([C@@H](CNC(=O)CCc2ccc(Cl)s2)[NH+]2CCCC2)cc1 ZINC000044308437 821565546 /nfs/dbraw/zinc/56/55/46/821565546.db2.gz HPZKNHVOZXVQTI-GOSISDBHSA-N 1 0 392.952 4.296 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)Nc2cccc(OCC(F)(F)F)c2)c1 ZINC000044309652 821566615 /nfs/dbraw/zinc/56/66/15/821566615.db2.gz IARSAKLMGVEBGZ-UHFFFAOYSA-N 1 0 381.398 4.011 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)Nc1cccc(OCC(F)(F)F)c1 ZINC000044310422 821567070 /nfs/dbraw/zinc/56/70/70/821567070.db2.gz CJNNULWPXPFOKC-MRXNPFEDSA-N 1 0 397.397 4.179 20 0 GIADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)c2cc3cc(Cl)ccc3o2)cc1 ZINC000180978855 821570066 /nfs/dbraw/zinc/57/00/66/821570066.db2.gz XXNUDYKKURRNEO-STQMWFEESA-N 1 0 392.908 4.406 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000044330688 821570693 /nfs/dbraw/zinc/57/06/93/821570693.db2.gz IVBTYDVZJSWMQK-JKSUJKDBSA-N 1 0 383.458 4.136 20 0 GIADRO Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000181005486 821587832 /nfs/dbraw/zinc/58/78/32/821587832.db2.gz SUHWMIFBJOTFRN-ZDUSSCGKSA-N 1 0 396.318 4.371 20 0 GIADRO COC(=O)c1ccc(C[NH2+][C@@H](c2ccccc2)c2ccc(OC)cc2)cc1OC ZINC000181008158 821589647 /nfs/dbraw/zinc/58/96/47/821589647.db2.gz IAVHGFPAPWHHBM-QHCPKHFHSA-N 1 0 391.467 4.370 20 0 GIADRO Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000181008531 821590360 /nfs/dbraw/zinc/59/03/60/821590360.db2.gz SQYZOBBRRJYAQT-MRXNPFEDSA-N 1 0 380.517 4.063 20 0 GIADRO CC(C)(CNC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)[N@@H+]1CCc2ccccc2C1 ZINC000044487257 821592484 /nfs/dbraw/zinc/59/24/84/821592484.db2.gz OPMFFPGXSBSNLO-WMZOPIPTSA-N 1 0 382.470 4.308 20 0 GIADRO c1sc(CC[NH2+]C2CCN(Cc3ccccn3)CC2)nc1C1CCCCC1 ZINC000181016364 821595319 /nfs/dbraw/zinc/59/53/19/821595319.db2.gz HHQUYJOPFFYFCW-UHFFFAOYSA-N 1 0 384.593 4.383 20 0 GIADRO C[NH+](C)CCn1c2cc(NCc3ccc(Oc4ccccc4)o3)ccc2oc1=O ZINC000181020215 821596567 /nfs/dbraw/zinc/59/65/67/821596567.db2.gz VMUVALBCPCBPNT-UHFFFAOYSA-N 1 0 393.443 4.154 20 0 GIADRO Cn1c(CCC[NH2+]C2CCN(Cc3ccccc3Cl)CC2)nc2ccccc21 ZINC000181021463 821597209 /nfs/dbraw/zinc/59/72/09/821597209.db2.gz XEBXHSDPKIOFQC-UHFFFAOYSA-N 1 0 396.966 4.414 20 0 GIADRO O=C(Cc1csc(-c2cccc(F)c2)n1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000044517324 821598354 /nfs/dbraw/zinc/59/83/54/821598354.db2.gz KMKLYUIQFCWFJQ-SFHVURJKSA-N 1 0 399.491 4.038 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1cc(-c2cccnc2)on1 ZINC000044552642 821607772 /nfs/dbraw/zinc/60/77/72/821607772.db2.gz WIZVSZIVDZRUGQ-KRWDZBQOSA-N 1 0 390.487 4.041 20 0 GIADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C(c2cccs2)c2cccs2)cc1 ZINC000181050937 821611045 /nfs/dbraw/zinc/61/10/45/821611045.db2.gz SITNYUXMIJKQIX-CYBMUJFWSA-N 1 0 392.571 4.158 20 0 GIADRO C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000181054106 821612332 /nfs/dbraw/zinc/61/23/32/821612332.db2.gz BIEFQBMANYVRJB-AWEZNQCLSA-N 1 0 385.474 4.199 20 0 GIADRO Cc1nc(C)c(C[NH2+][C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)s1 ZINC000181060268 821614466 /nfs/dbraw/zinc/61/44/66/821614466.db2.gz JCQGAWPOVWWKCC-INIZCTEOSA-N 1 0 397.466 4.060 20 0 GIADRO COc1ccc([C@H](C)[NH2+]C[C@@H](O)c2c(Cl)cccc2Cl)cc1NC(C)=O ZINC000181106637 821636533 /nfs/dbraw/zinc/63/65/33/821636533.db2.gz QHDXHFCLUFKULH-APPDUMDISA-N 1 0 397.302 4.345 20 0 GIADRO C[C@H](CNC(=O)Nc1ccc2[nH]c(C(F)F)nc2c1)[N@@H+]1CCc2ccccc2C1 ZINC000181114485 821641306 /nfs/dbraw/zinc/64/13/06/821641306.db2.gz ZTSKMQIMILFSRF-CYBMUJFWSA-N 1 0 399.445 4.069 20 0 GIADRO CCCOc1ccc([C@H](C)[NH2+]C2CCC(S(C)(=O)=O)CC2)c(OCCC)c1 ZINC000181124935 821648229 /nfs/dbraw/zinc/64/82/29/821648229.db2.gz NUQDBBZMOXLTEF-MUYFXNHWSA-N 1 0 397.581 4.271 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]CCCOC1CCOCC1 ZINC000181129850 821651060 /nfs/dbraw/zinc/65/10/60/821651060.db2.gz JENULBNYYOZNCI-CQSZACIVSA-N 1 0 378.513 4.494 20 0 GIADRO N#Cc1ccc(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c(Br)c1 ZINC000181146935 821662730 /nfs/dbraw/zinc/66/27/30/821662730.db2.gz DEUJUBAPBMABRJ-RDJZCZTQSA-N 1 0 375.266 4.002 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCc1ccc2[nH]ccc2c1 ZINC000181147988 821664291 /nfs/dbraw/zinc/66/42/91/821664291.db2.gz ZVSYKXVOOQNJKH-OAQYLSRUSA-N 1 0 375.516 4.081 20 0 GIADRO Fc1cccc([C@@H]([NH2+]C[C@H]2COC3(CCOCC3)O2)c2cccc(Cl)c2)c1 ZINC000181160324 821671594 /nfs/dbraw/zinc/67/15/94/821671594.db2.gz VZORVANHXUXBKY-PMACEKPBSA-N 1 0 391.870 4.080 20 0 GIADRO CSC1(C[NH2+][C@H]2CCSc3ccc(Br)cc32)CCOCC1 ZINC000181161682 821672129 /nfs/dbraw/zinc/67/21/29/821672129.db2.gz LNIYWAACRULPHG-AWEZNQCLSA-N 1 0 388.396 4.488 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCc1ccc2[nH]ccc2c1 ZINC000181161990 821672215 /nfs/dbraw/zinc/67/22/15/821672215.db2.gz RZRJIMNMWFJDOV-JOCHJYFZSA-N 1 0 389.543 4.471 20 0 GIADRO Cc1ccc(OCC(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)cc1C ZINC000044876460 821675475 /nfs/dbraw/zinc/67/54/75/821675475.db2.gz MCEPZYZOSFOGIS-UHFFFAOYSA-N 1 0 380.532 4.231 20 0 GIADRO C[C@@H]([NH2+]C[C@H](C)Oc1cccc(Cl)c1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000181174094 821678474 /nfs/dbraw/zinc/67/84/74/821678474.db2.gz ZDDYAGJGZQJOGE-QWHCGFSZSA-N 1 0 385.888 4.001 20 0 GIADRO COC(=O)C[C@H]1CCC[N@@H+]1Cc1cc(-c2c(OC)ccc3ccccc32)no1 ZINC000181185397 821684074 /nfs/dbraw/zinc/68/40/74/821684074.db2.gz KZHQXVDUHCXCEK-MRXNPFEDSA-N 1 0 380.444 4.031 20 0 GIADRO CC(C)N(Cc1ccccc1)C(=O)C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000181186522 821684966 /nfs/dbraw/zinc/68/49/66/821684966.db2.gz JMPMQHZPZMZVHZ-FYYLOGMGSA-N 1 0 380.532 4.181 20 0 GIADRO CC(C)[NH+]1CCC(NC(=O)CCCCc2ccc(Br)cc2)CC1 ZINC000044985807 821685324 /nfs/dbraw/zinc/68/53/24/821685324.db2.gz NXVDPGQYMCPNPX-UHFFFAOYSA-N 1 0 381.358 4.151 20 0 GIADRO COc1ccc2c(C[NH2+][C@@H](C[C@@H]3CCOC3)c3ccccc3)cc(=O)oc2c1 ZINC000181193197 821688114 /nfs/dbraw/zinc/68/81/14/821688114.db2.gz OUPCQFRAFGGYLJ-KKSFZXQISA-N 1 0 379.456 4.059 20 0 GIADRO Fc1ccc(C[N@H+]2CCCN(Cc3nc4ccccc4n3C(F)F)CC2)cc1 ZINC000045003231 821688217 /nfs/dbraw/zinc/68/82/17/821688217.db2.gz GDSHOKVVDNPKKN-UHFFFAOYSA-N 1 0 388.437 4.278 20 0 GIADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCC[C@H](C(F)(F)F)C3)CC2)cc1 ZINC000045014409 821691030 /nfs/dbraw/zinc/69/10/30/821691030.db2.gz QIQPPQMFZDQNTL-MOPGFXCFSA-N 1 0 382.470 4.398 20 0 GIADRO CN(C)S(=O)(=O)c1ccccc1C[NH2+][C@H](c1cccs1)C1CCCC1 ZINC000181196895 821691199 /nfs/dbraw/zinc/69/11/99/821691199.db2.gz SPWOFXJXQAAKPI-IBGZPJMESA-N 1 0 378.563 4.020 20 0 GIADRO CCOC(=O)COc1ccc(CC[NH2+][C@H](C)c2ccc3ccccc3n2)cc1 ZINC000181198557 821692050 /nfs/dbraw/zinc/69/20/50/821692050.db2.gz ULBSULCJLVUMTP-QGZVFWFLSA-N 1 0 378.472 4.070 20 0 GIADRO Cc1ccc(CN(C(=O)C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)C2CC2)cc1 ZINC000181207879 821697754 /nfs/dbraw/zinc/69/77/54/821697754.db2.gz GNSHIVAWZRLMDP-XUZZJYLKSA-N 1 0 392.543 4.244 20 0 GIADRO Cc1ccc(CN(C(=O)C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)C2CC2)cc1 ZINC000181207900 821697850 /nfs/dbraw/zinc/69/78/50/821697850.db2.gz GNSHIVAWZRLMDP-QPPBQGQZSA-N 1 0 392.543 4.244 20 0 GIADRO c1ccc(-c2noc(CCC[NH2+][C@H](C[C@H]3CCOC3)c3ccccc3)n2)cc1 ZINC000181213384 821700900 /nfs/dbraw/zinc/70/09/00/821700900.db2.gz QCYXWFJZMDTBPV-WIYYLYMNSA-N 1 0 377.488 4.427 20 0 GIADRO C[C@H]1C[C@H](NC(=O)CCc2ccc3[nH]ccc3c2)CC[N@@H+]1Cc1ccccc1 ZINC000181215564 821702306 /nfs/dbraw/zinc/70/23/06/821702306.db2.gz IOHYJGNOFQGFSS-PGRDOPGGSA-N 1 0 375.516 4.270 20 0 GIADRO CC[C@@H]1c2ccsc2CCN1C(=O)C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000181226213 821705819 /nfs/dbraw/zinc/70/58/19/821705819.db2.gz AHJCBLUVWYHIOG-IOMROCGXSA-N 1 0 398.572 4.341 20 0 GIADRO C[C@H](NC(=O)C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1)c1ccccc1Cl ZINC000181232329 821709639 /nfs/dbraw/zinc/70/96/39/821709639.db2.gz GLALPALZHJVPEQ-FIKGOQFSSA-N 1 0 386.923 4.275 20 0 GIADRO Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@H](c1ccccc1)[C@@H]1CCCc2ccccc21 ZINC000181240038 821714462 /nfs/dbraw/zinc/71/44/62/821714462.db2.gz XEVCNRMZFHKWQO-ZJSXRUAMSA-N 1 0 388.515 4.416 20 0 GIADRO CC[C@@H](C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1)Oc1ccccc1C ZINC000181241552 821715047 /nfs/dbraw/zinc/71/50/47/821715047.db2.gz BZPDOJSNRKXYLH-RDJZCZTQSA-N 1 0 379.497 4.046 20 0 GIADRO COc1c(Br)cccc1C[NH2+][C@H](C)c1ccc(-n2cccn2)cc1 ZINC000181261781 821722982 /nfs/dbraw/zinc/72/29/82/821722982.db2.gz NJYMSBLJXKCWLI-CQSZACIVSA-N 1 0 386.293 4.494 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1Cl)c1ccc(-c2cccnc2)cc1 ZINC000181272661 821726857 /nfs/dbraw/zinc/72/68/57/821726857.db2.gz BHCGISFWUSLMFX-OXQOHEQNSA-N 1 0 382.891 4.493 20 0 GIADRO C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccccc1OC(F)(F)F ZINC000181280991 821732163 /nfs/dbraw/zinc/73/21/63/821732163.db2.gz MKIOVAASHGEBPA-LPHOPBHVSA-N 1 0 393.453 4.023 20 0 GIADRO COc1cccc(CN(C)C(=O)C[NH2+][C@@H](C)c2ccc(-c3cccnc3)cc2)c1 ZINC000181287144 821735677 /nfs/dbraw/zinc/73/56/77/821735677.db2.gz ZLQUHYWVYCJZDD-SFHVURJKSA-N 1 0 389.499 4.066 20 0 GIADRO COC(=O)c1cc2cc(C[NH2+][C@H](C)c3ccc(N4CCOC4=O)cc3)ccc2o1 ZINC000181288109 821736293 /nfs/dbraw/zinc/73/62/93/821736293.db2.gz VOBJXZYTJFRMJP-CQSZACIVSA-N 1 0 394.427 4.027 20 0 GIADRO CCC[C@@H]([NH2+][C@@H]1CCc2nc(COC)nn2C1)c1ccc(Cl)cc1Cl ZINC000181293240 821739299 /nfs/dbraw/zinc/73/92/99/821739299.db2.gz RYSNWNFKSDXGNK-CZUORRHYSA-N 1 0 383.323 4.177 20 0 GIADRO Cc1cc(Br)ccc1CC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000181292929 821739492 /nfs/dbraw/zinc/73/94/92/821739492.db2.gz ABASLDZFNFDGJZ-UHFFFAOYSA-N 1 0 393.369 4.213 20 0 GIADRO Cc1nc(C[N@@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)nc2ccccc12 ZINC000181300272 821743267 /nfs/dbraw/zinc/74/32/67/821743267.db2.gz ODSNWRKDJMBBSQ-SFHVURJKSA-N 1 0 384.487 4.103 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N(C)Cc1ccccc1F)c1ccc(-c2cccnc2)cc1 ZINC000181306028 821746391 /nfs/dbraw/zinc/74/63/91/821746391.db2.gz HNOOTJKHXDEVLK-QGZVFWFLSA-N 1 0 377.463 4.197 20 0 GIADRO C[C@@H](Cc1ccccc1Br)[NH2+]C1CCN(c2nccs2)CC1 ZINC000181309057 821747528 /nfs/dbraw/zinc/74/75/28/821747528.db2.gz BLIUZJYIBSGEHD-ZDUSSCGKSA-N 1 0 380.355 4.095 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)COCc1ccccc1F)c1ccc(-c2cccnc2)cc1 ZINC000181313240 821752022 /nfs/dbraw/zinc/75/20/22/821752022.db2.gz YGSZORSBDCMNEQ-VGOFRKELSA-N 1 0 380.463 4.116 20 0 GIADRO COc1ccccc1CN(C)C(=O)C[NH2+][C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000181313459 821752162 /nfs/dbraw/zinc/75/21/62/821752162.db2.gz NDNBYJKULISTCU-GOSISDBHSA-N 1 0 389.499 4.066 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)cc1OC ZINC000181316235 821754139 /nfs/dbraw/zinc/75/41/39/821754139.db2.gz NVGUBGKNPRXTMC-NEPJUHHUSA-N 1 0 385.430 4.491 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000181316415 821754742 /nfs/dbraw/zinc/75/47/42/821754742.db2.gz NVAOGMUUPDTQTD-CHWSQXEVSA-N 1 0 392.429 4.055 20 0 GIADRO CC[C@@H](C)c1ccc(NC(=O)C[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)cc1 ZINC000181316519 821754759 /nfs/dbraw/zinc/75/47/59/821754759.db2.gz CLPHJNISLCFXGI-SJORKVTESA-N 1 0 395.503 4.446 20 0 GIADRO COc1ccc(C)cc1NC(=O)C[NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000181321576 821757354 /nfs/dbraw/zinc/75/73/54/821757354.db2.gz ACJJQJDHQXQQRF-KRWDZBQOSA-N 1 0 375.472 4.355 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc(-c2cccnc2)cc1)C(=O)N1CCc2ccccc2C1 ZINC000181320680 821757419 /nfs/dbraw/zinc/75/74/19/821757419.db2.gz OSQTVMIOMUXFAN-RTBURBONSA-N 1 0 385.511 4.373 20 0 GIADRO CC(C)c1ccccc1OC[C@@H](O)C[NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000181338616 821769565 /nfs/dbraw/zinc/76/95/65/821769565.db2.gz JKQMHAVFNCMFQT-NQIIRXRSSA-N 1 0 396.531 4.027 20 0 GIADRO C[C@H]([NH2+]CCOc1ncc(Cl)cc1Cl)c1cccc(N2CCOC2=O)c1 ZINC000181341711 821773249 /nfs/dbraw/zinc/77/32/49/821773249.db2.gz HVLXVRPKTGQUCK-LBPRGKRZSA-N 1 0 396.274 4.075 20 0 GIADRO CC(C)c1cccc(-c2ccc(C(=O)N(C)CC[N@H+](C)C3CCN(C)CC3)o2)c1 ZINC000181344054 821774462 /nfs/dbraw/zinc/77/44/62/821774462.db2.gz SZWMDRWWSROHPC-UHFFFAOYSA-N 1 0 397.563 4.168 20 0 GIADRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)N(C)Cc2nc3ccccc3s2)cc1F ZINC000181344847 821775210 /nfs/dbraw/zinc/77/52/10/821775210.db2.gz BLSKHEROLGDMIZ-HUUCEWRRSA-N 1 0 385.508 4.442 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(OC(C)(C)C)nc1)c1ccc(OCc2nccn2C)cc1 ZINC000181348265 821778196 /nfs/dbraw/zinc/77/81/96/821778196.db2.gz NLMKNZKSDPBEBX-KRWDZBQOSA-N 1 0 394.519 4.422 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(OC(C)(C)C)nc2)cc1Cn1cccn1 ZINC000181350591 821779750 /nfs/dbraw/zinc/77/97/50/821779750.db2.gz TYIONSOEEGJDSM-QGZVFWFLSA-N 1 0 394.519 4.363 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1cccc2ccccc21)c1ccc(N2CCCC2=O)cc1 ZINC000181356665 821783865 /nfs/dbraw/zinc/78/38/65/821783865.db2.gz IJRWYOTVNKCUTB-QGZVFWFLSA-N 1 0 387.483 4.256 20 0 GIADRO O[C@@H](C[NH2+][C@@H]1CCSc2ccccc21)COc1ccccc1Br ZINC000181359903 821786506 /nfs/dbraw/zinc/78/65/06/821786506.db2.gz YQVQNHACERNMFY-XJKSGUPXSA-N 1 0 394.334 4.016 20 0 GIADRO Cc1ccc(C)c(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)c1 ZINC000181361105 821787143 /nfs/dbraw/zinc/78/71/43/821787143.db2.gz ZETQJLPELMWVHD-ROUUACIJSA-N 1 0 379.504 4.108 20 0 GIADRO CCOc1cc2c(cc1C[NH2+][C@@H](C)c1sc(CCOC)nc1C)O[C@H](C)C2 ZINC000181372068 821793078 /nfs/dbraw/zinc/79/30/78/821793078.db2.gz MFLUNOPWEWEDGH-KGLIPLIRSA-N 1 0 390.549 4.213 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+]Cc2ccc(OCC(F)(F)F)cc2)s1 ZINC000181374316 821793792 /nfs/dbraw/zinc/79/37/92/821793792.db2.gz CEBMNNCBUPDPCV-GFCCVEGCSA-N 1 0 388.455 4.432 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)s1 ZINC000181375346 821794315 /nfs/dbraw/zinc/79/43/15/821794315.db2.gz OBJUGCPFKZNQNK-UONOGXRCSA-N 1 0 387.549 4.401 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+]Cc2cccc(OCC(F)(F)F)c2)s1 ZINC000181382022 821796842 /nfs/dbraw/zinc/79/68/42/821796842.db2.gz CNIMGDAXYWPFDK-GFCCVEGCSA-N 1 0 388.455 4.432 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+]Cc2ccc(N3CCC(C)CC3)nc2)s1 ZINC000181382867 821797452 /nfs/dbraw/zinc/79/74/52/821797452.db2.gz HXTKVVVWXHJBBJ-INIZCTEOSA-N 1 0 388.581 4.123 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)c1cccc(Br)c1)c1ccc(-n2cccn2)cc1 ZINC000181389121 821801058 /nfs/dbraw/zinc/80/10/58/821801058.db2.gz XDCJLUXNSOMQIN-IFXJQAMLSA-N 1 0 386.293 4.019 20 0 GIADRO CC(C)c1ccccc1OC[C@H](O)C[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181392633 821802392 /nfs/dbraw/zinc/80/23/92/821802392.db2.gz LVKUYMYLPDXEIX-GHTZIAJQSA-N 1 0 396.531 4.027 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+]CC(C)(C)N2CCc3ccccc3C2)s1 ZINC000181392326 821802724 /nfs/dbraw/zinc/80/27/24/821802724.db2.gz YJBNASFCZUEITN-INIZCTEOSA-N 1 0 387.593 4.128 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)s1 ZINC000181393522 821803826 /nfs/dbraw/zinc/80/38/26/821803826.db2.gz BTHULZLKRVWJBM-ZIAGYGMSSA-N 1 0 389.521 4.009 20 0 GIADRO C[C@H]([NH2+][C@H](CO)c1cccc(Br)c1)c1ccc(F)cc1N(C)C ZINC000181395642 821805316 /nfs/dbraw/zinc/80/53/16/821805316.db2.gz JYCNRVSOAPTVEN-YVEFUNNKSA-N 1 0 381.289 4.038 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+]C[C@H](c2ccc(C)cc2)N2CCCC2)s1 ZINC000181405023 821808443 /nfs/dbraw/zinc/80/84/43/821808443.db2.gz WCSPGISMLORRKJ-YLJYHZDGSA-N 1 0 387.593 4.437 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+]Cc2ccc(OC)c(Br)c2)s1 ZINC000181408553 821810246 /nfs/dbraw/zinc/81/02/46/821810246.db2.gz LRRSIWUSLYZBGP-LLVKDONJSA-N 1 0 399.354 4.262 20 0 GIADRO Cc1ccc(OC(F)F)c([C@H](C)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000181409621 821810612 /nfs/dbraw/zinc/81/06/12/821810612.db2.gz IEEIZKPNJVHMAA-SNRMKQJTSA-N 1 0 382.495 4.015 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)s1 ZINC000181417443 821815107 /nfs/dbraw/zinc/81/51/07/821815107.db2.gz CRJXYKJZCVLIBU-BMIGLBTASA-N 1 0 389.348 4.331 20 0 GIADRO CCOc1cc(C[NH2+][C@H](C)c2cccc(Cl)c2)nc2nc(C(F)(F)F)nn21 ZINC000181422086 821818514 /nfs/dbraw/zinc/81/85/14/821818514.db2.gz GCWUBNKPCMDAAW-SNVBAGLBSA-N 1 0 399.804 4.046 20 0 GIADRO Cc1cc(C[C@H](C)[NH2+][C@H](C)c2ccc(OC(F)F)cc2OC(F)F)[nH]n1 ZINC000181426244 821820732 /nfs/dbraw/zinc/82/07/32/821820732.db2.gz FDSBDXMDDWATIP-GXSJLCMTSA-N 1 0 375.366 4.203 20 0 GIADRO COc1ccccc1[C@H](NC1CC[NH+](Cc2ccccn2)CC1)c1ccco1 ZINC000181434784 821825644 /nfs/dbraw/zinc/82/56/44/821825644.db2.gz GGOIHIYUHREVJQ-QHCPKHFHSA-N 1 0 377.488 4.027 20 0 GIADRO O=C(CCCc1ccc2ccccc2c1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000181435767 821826483 /nfs/dbraw/zinc/82/64/83/821826483.db2.gz QZVQQSSHWTYSFK-BJKOFHAPSA-N 1 0 394.559 4.047 20 0 GIADRO COC[C@H]([NH2+]C[C@@H](O)CO[C@H](C)c1ccc(Cl)cc1)c1ccc(F)c(F)c1 ZINC000181445189 821829509 /nfs/dbraw/zinc/82/95/09/821829509.db2.gz NYQUWIIJHQWWRH-DUXSXAKTSA-N 1 0 399.865 4.034 20 0 GIADRO C[C@@H](NC(=O)c1cc(Br)ccc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181450311 821831449 /nfs/dbraw/zinc/83/14/49/821831449.db2.gz DJVZKXFZCGFRGH-OLZOCXBDSA-N 1 0 399.760 4.485 20 0 GIADRO Cc1nc(Cc2ccccc2)sc1C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181453186 821832366 /nfs/dbraw/zinc/83/23/66/821832366.db2.gz MCAZRFDIBDTSDO-VQIMIIECSA-N 1 0 397.588 4.425 20 0 GIADRO CCn1c(C2CC2)nn(CN2CCC(CCC[NH+](CC)CC)CC2)c1=S ZINC000181458608 821835441 /nfs/dbraw/zinc/83/54/41/821835441.db2.gz HLCNZXKSVFUPAP-UHFFFAOYSA-N 1 0 379.618 4.103 20 0 GIADRO CC[NH+](CC)CCCC1CCN(Cn2nc(OC(C)C)sc2=S)CC1 ZINC000181459865 821836044 /nfs/dbraw/zinc/83/60/44/821836044.db2.gz SMZHRULKBIINFT-UHFFFAOYSA-N 1 0 386.631 4.253 20 0 GIADRO C[N@@H+](Cc1ncc(-c2ccc(Br)cc2)o1)C[C@@H]1CCCC[C@@H]1O ZINC000181461840 821837026 /nfs/dbraw/zinc/83/70/26/821837026.db2.gz CISSHSUHCURCQT-HOCLYGCPSA-N 1 0 379.298 4.087 20 0 GIADRO CCS(=O)(=O)N1CCC([NH2+][C@H](C)c2cc3c(ccc4ccccc34)o2)CC1 ZINC000181462547 821837609 /nfs/dbraw/zinc/83/76/09/821837609.db2.gz ZNSYREVCNMBCGA-OAHLLOKOSA-N 1 0 386.517 4.051 20 0 GIADRO C[C@@H](NC(=O)CCc1cc(Br)cs1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181471121 821841387 /nfs/dbraw/zinc/84/13/87/821841387.db2.gz MHRQDLBTZUNZCC-KGLIPLIRSA-N 1 0 399.398 4.212 20 0 GIADRO CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)[N@H+](C)CCc1ccncc1 ZINC000181474578 821842104 /nfs/dbraw/zinc/84/21/04/821842104.db2.gz XHPAYBXOAGMETD-HSZRJFAPSA-N 1 0 389.499 4.335 20 0 GIADRO COc1cc(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)ccc1OCC(C)C ZINC000181473981 821842132 /nfs/dbraw/zinc/84/21/32/821842132.db2.gz DGKCNVYLNFINCV-HKUYNNGSSA-N 1 0 388.552 4.113 20 0 GIADRO C[C@H](CCCc1ccccc1)C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000181488080 821849162 /nfs/dbraw/zinc/84/91/62/821849162.db2.gz XWDLJOOGDINVJG-WOJBJXKFSA-N 1 0 379.548 4.382 20 0 GIADRO COc1cccc(-c2nc(C[NH2+][C@H](CCO)C3CCCCC3)cs2)c1OC ZINC000181497272 821854288 /nfs/dbraw/zinc/85/42/88/821854288.db2.gz BNMLTZHIWDHYSX-GOSISDBHSA-N 1 0 390.549 4.248 20 0 GIADRO CCO[C@H]1C[C@H]([NH2+]C2CCN(c3ccc(C(F)(F)F)cn3)CC2)C12CCC2 ZINC000181502989 821856749 /nfs/dbraw/zinc/85/67/49/821856749.db2.gz QFPPSAFTHYEYAQ-IRXDYDNUSA-N 1 0 383.458 4.007 20 0 GIADRO CCN(C(=O)C[NH2+][C@H](C)c1ccc(-n2cncn2)cc1)c1cccc2ccccc21 ZINC000181505460 821857556 /nfs/dbraw/zinc/85/75/56/821857556.db2.gz NRTWWTHEPTVGET-GOSISDBHSA-N 1 0 399.498 4.124 20 0 GIADRO C[C@@H](NC(=O)CCc1cccc(Br)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181507493 821858986 /nfs/dbraw/zinc/85/89/86/821858986.db2.gz KTQYAQJPRDDQLR-WBVHZDCISA-N 1 0 393.369 4.151 20 0 GIADRO C[C@H](NC(=O)COc1ccc(Cl)cc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181524589 821865860 /nfs/dbraw/zinc/86/58/60/821865860.db2.gz YZLSQBUUFQLSMB-UONOGXRCSA-N 1 0 385.335 4.141 20 0 GIADRO C[C@H](NC(=O)c1cnc(Cc2ccccc2)s1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181531424 821868974 /nfs/dbraw/zinc/86/89/74/821868974.db2.gz FTZRNLRXIXRKRZ-WMZOPIPTSA-N 1 0 383.561 4.117 20 0 GIADRO Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)n(-c2ccccc2)n1 ZINC000181531438 821869070 /nfs/dbraw/zinc/86/90/70/821869070.db2.gz ULIUZUHZFMYHTK-NCMZGWBGSA-N 1 0 381.545 4.200 20 0 GIADRO C[C@H]([NH2+]Cc1nc(C(C)(C)NC(=O)OC(C)(C)C)no1)[C@@H](C)c1ccccc1 ZINC000181538541 821872948 /nfs/dbraw/zinc/87/29/48/821872948.db2.gz KVKNOOVKWNOTNH-CABCVRRESA-N 1 0 388.512 4.111 20 0 GIADRO COC1(C[NH2+][C@H]2CCCc3nc(-c4ccccc4F)sc32)CCOCC1 ZINC000181545532 821875102 /nfs/dbraw/zinc/87/51/02/821875102.db2.gz CEOYVVGOAGQXGN-INIZCTEOSA-N 1 0 376.497 4.112 20 0 GIADRO C[C@H](NC(=O)c1ccc(Br)cc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181544899 821875455 /nfs/dbraw/zinc/87/54/55/821875455.db2.gz QDOAAJSFEGPNHZ-QWHCGFSZSA-N 1 0 399.760 4.485 20 0 GIADRO C[C@H](NC(=O)c1cnc(-c2ccsc2)s1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181547140 821876003 /nfs/dbraw/zinc/87/60/03/821876003.db2.gz IEPIDYONKBOSEE-KBPBESRZSA-N 1 0 375.563 4.254 20 0 GIADRO COc1ccc(-c2nc(NC(=O)C[NH2+][C@@H](C)c3cccc(O)c3)sc2C)cc1 ZINC000181547749 821876579 /nfs/dbraw/zinc/87/65/79/821876579.db2.gz UJCGIQNAZBRIGQ-ZDUSSCGKSA-N 1 0 397.500 4.122 20 0 GIADRO COc1ccccc1COC1CC[NH+](Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000181551998 821877984 /nfs/dbraw/zinc/87/79/84/821877984.db2.gz ZPXSTMWLYKPHGF-UHFFFAOYSA-N 1 0 377.488 4.267 20 0 GIADRO Cc1nc2ccc(NC(=O)N(C)CCC3CCN(c4cc[nH+]cc4)CC3)cc2o1 ZINC000181552751 821878630 /nfs/dbraw/zinc/87/86/30/821878630.db2.gz UWDIFUOSUVKRSN-UHFFFAOYSA-N 1 0 393.491 4.302 20 0 GIADRO C[C@H](C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(Br)s1 ZINC000181555565 821879635 /nfs/dbraw/zinc/87/96/35/821879635.db2.gz UYRIXUZHVRKTPG-MELADBBJSA-N 1 0 399.398 4.383 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](c1ccccc1)C(C)(C)CO)c1cccc(N2CCOC2=O)c1 ZINC000181556927 821880265 /nfs/dbraw/zinc/88/02/65/821880265.db2.gz AJQHKNXSEHAHPN-UTKZUKDTSA-N 1 0 382.504 4.096 20 0 GIADRO COc1cc([C@@H](C)[NH2+]Cc2cccc(-c3ccccn3)c2)ccc1S(C)(=O)=O ZINC000181569276 821883473 /nfs/dbraw/zinc/88/34/73/821883473.db2.gz RLEAZUZTGSEQGG-MRXNPFEDSA-N 1 0 396.512 4.012 20 0 GIADRO COCc1cc([C@H](C)[NH2+]C2CCN([C@H](C)c3ccncc3)CC2)ccc1OC ZINC000181591996 821893933 /nfs/dbraw/zinc/89/39/33/821893933.db2.gz RBRPWFMCMYLEBH-ZWKOTPCHSA-N 1 0 383.536 4.113 20 0 GIADRO COc1ccc2c(c1)[C@@H]([NH2+]C1CCN([C@@H](C)c3ccncc3)CC1)CCCO2 ZINC000181593129 821894549 /nfs/dbraw/zinc/89/45/49/821894549.db2.gz ZNFQNWGTTTYQGT-JTSKRJEESA-N 1 0 381.520 4.119 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(COCC(F)(F)F)c1)c1ccc([S@@](C)=O)cc1 ZINC000181596574 821895893 /nfs/dbraw/zinc/89/58/93/821895893.db2.gz WFUUOGVDHUTOKR-RMKBEBRYSA-N 1 0 385.451 4.354 20 0 GIADRO Cc1cc2ncc([C@H](C)[NH2+]Cc3cccc(COCC(F)(F)F)c3)c(C)n2n1 ZINC000181596900 821896440 /nfs/dbraw/zinc/89/64/40/821896440.db2.gz UAMKECJALABRTH-AWEZNQCLSA-N 1 0 392.425 4.276 20 0 GIADRO COc1cccc2cc([C@H](C)[NH2+]CCS(=O)(=O)c3ccc(Cl)cc3)oc21 ZINC000181608804 821901155 /nfs/dbraw/zinc/90/11/55/821901155.db2.gz YTAFINITKPGMLR-ZDUSSCGKSA-N 1 0 393.892 4.219 20 0 GIADRO CC1(C)[C@H]([NH2+]Cc2ccc(NC(=O)c3ccc(F)cc3)cc2)[C@H]2CCCO[C@@H]21 ZINC000181637509 821916383 /nfs/dbraw/zinc/91/63/83/821916383.db2.gz ACEGPNCSHNUROS-NJYVYQBISA-N 1 0 382.479 4.371 20 0 GIADRO CC(C)[C@H]([NH2+]CC(=O)Nc1ccccc1OC(F)F)c1ccc(F)cc1F ZINC000181641232 821919207 /nfs/dbraw/zinc/91/92/07/821919207.db2.gz UVMGWDGDMHQEGM-SFHVURJKSA-N 1 0 384.373 4.492 20 0 GIADRO C[C@H]([NH2+]CC(=O)NC[C@H]1CCN(c2ccccc2)C1)c1cccc2ccccc21 ZINC000181649017 821922063 /nfs/dbraw/zinc/92/20/63/821922063.db2.gz MLZZXBXWSHSPLD-VQTJNVASSA-N 1 0 387.527 4.133 20 0 GIADRO CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000181660711 821928865 /nfs/dbraw/zinc/92/88/65/821928865.db2.gz BDHJBQUXGGMIJT-HOCLYGCPSA-N 1 0 383.460 4.191 20 0 GIADRO CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H](C)c1ccc(SC)c(OC)c1 ZINC000181662232 821929955 /nfs/dbraw/zinc/92/99/55/821929955.db2.gz JJIVEJTXNJRUME-WBVHZDCISA-N 1 0 393.574 4.320 20 0 GIADRO Cc1c(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cccc1-c1ccccn1 ZINC000181664049 821931059 /nfs/dbraw/zinc/93/10/59/821931059.db2.gz UDQPHAGUARVMKM-MOPGFXCFSA-N 1 0 377.532 4.440 20 0 GIADRO CCOc1cccc2cc([C@H](C)[NH2+]CCCc3nnc4n3CCCCC4)oc21 ZINC000181668848 821934756 /nfs/dbraw/zinc/93/47/56/821934756.db2.gz GUTDBGJQPFGZNC-INIZCTEOSA-N 1 0 382.508 4.433 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCN(c2ccccn2)C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000181701930 821950116 /nfs/dbraw/zinc/95/01/16/821950116.db2.gz AEXYVZQVJAKWPB-CHWSQXEVSA-N 1 0 399.388 4.214 20 0 GIADRO C[C@H]([NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1)c1ccc(N2CCOC2=O)cc1 ZINC000181706604 821951835 /nfs/dbraw/zinc/95/18/35/821951835.db2.gz ARZHKGHALRVJLP-SPEDKVCISA-N 1 0 380.488 4.462 20 0 GIADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000181708473 821953166 /nfs/dbraw/zinc/95/31/66/821953166.db2.gz NFGHNLVUNGQTHJ-JTDSTZFVSA-N 1 0 387.911 4.210 20 0 GIADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000181708433 821953240 /nfs/dbraw/zinc/95/32/40/821953240.db2.gz NFGHNLVUNGQTHJ-GJYPPUQNSA-N 1 0 387.911 4.210 20 0 GIADRO C[C@@H]([NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1)c1cccc(N2CCOC2=O)c1 ZINC000181710475 821954387 /nfs/dbraw/zinc/95/43/87/821954387.db2.gz KBUPSXIIMDYLMT-FGSXEWAUSA-N 1 0 380.488 4.462 20 0 GIADRO CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000181739178 821969989 /nfs/dbraw/zinc/96/99/89/821969989.db2.gz BMWBCBWKASEZCD-NRFANRHFSA-N 1 0 396.579 4.478 20 0 GIADRO COc1cccc(Oc2ccc(NC(=O)N3CC[C@H](C[NH+]4CCCC4)C3)cc2)c1 ZINC000181749241 821975123 /nfs/dbraw/zinc/97/51/23/821975123.db2.gz ALPACYAMNFRNLH-GOSISDBHSA-N 1 0 395.503 4.437 20 0 GIADRO CC[C@H]1CCCC[C@H]1[NH2+]Cc1cccnc1Oc1cccc(S(C)(=O)=O)c1 ZINC000181749306 821975590 /nfs/dbraw/zinc/97/55/90/821975590.db2.gz JRYOEINZRVZLHE-OXJNMPFZSA-N 1 0 388.533 4.336 20 0 GIADRO COc1cc(C[NH2+]Cc2cnn(CC(C)C)c2)ccc1OCc1ccccc1 ZINC000181757785 821979072 /nfs/dbraw/zinc/97/90/72/821979072.db2.gz QWKRYARGXNWMGL-UHFFFAOYSA-N 1 0 379.504 4.417 20 0 GIADRO CC(C)(C)C(=O)N1CCC(C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)CC1 ZINC000181758395 821979646 /nfs/dbraw/zinc/97/96/46/821979646.db2.gz SFLONLNAHNKFFY-UHFFFAOYSA-N 1 0 382.552 4.027 20 0 GIADRO Cc1ccccc1COc1ccc([C@@H](C)[NH2+]CC2CCS(=O)(=O)CC2)cc1 ZINC000181763812 821982292 /nfs/dbraw/zinc/98/22/92/821982292.db2.gz WKCDZXKFHGCHRU-GOSISDBHSA-N 1 0 387.545 4.049 20 0 GIADRO COc1cc([C@H](C)[NH2+]Cc2cnn(CC(C)C)c2)ccc1OCc1ccncc1 ZINC000181767859 821984633 /nfs/dbraw/zinc/98/46/33/821984633.db2.gz GVEIRVNADGETDT-SFHVURJKSA-N 1 0 394.519 4.373 20 0 GIADRO CCOc1cccc2cc([C@H](C)[NH2+]C[C@@H](O)c3cc(OC)cc(OC)c3)oc21 ZINC000181771766 821986543 /nfs/dbraw/zinc/98/65/43/821986543.db2.gz WZSYIOXJDMQMBA-IFXJQAMLSA-N 1 0 385.460 4.233 20 0 GIADRO CCC[C@H]([NH2+]Cc1cc(OCC)n2nc(C(F)(F)F)nc2n1)c1ccccc1 ZINC000181787399 821992031 /nfs/dbraw/zinc/99/20/31/821992031.db2.gz NIQUBFOUWGNVDC-HNNXBMFYSA-N 1 0 393.413 4.173 20 0 GIADRO CCC[C@H]([NH2+]CC(=O)N[C@H](c1nccs1)c1ccccc1)c1ccccc1 ZINC000181787811 821992677 /nfs/dbraw/zinc/99/26/77/821992677.db2.gz UNOHMXIFODXUAP-FPOVZHCZSA-N 1 0 379.529 4.480 20 0 GIADRO CCC[C@H]([NH2+]Cc1cnn(CC(C)C)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000181787526 821992787 /nfs/dbraw/zinc/99/27/87/821992787.db2.gz WGTUQXZTUGPLER-QFIPXVFZSA-N 1 0 397.567 4.036 20 0 GIADRO CCN(CC)C(=O)C[C@@H](C)[NH2+]CCc1csc(-c2ccc(Cl)cc2)n1 ZINC000181797634 821996579 /nfs/dbraw/zinc/99/65/79/821996579.db2.gz NSAUBZJXFCXASA-CQSZACIVSA-N 1 0 379.957 4.243 20 0 GIADRO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1)[C@H](C)c1nc2ccccc2s1 ZINC000181808868 822001718 /nfs/dbraw/zinc/00/17/18/822001718.db2.gz XVYKOLYVWKRRHA-SCTDSRPQSA-N 1 0 393.556 4.427 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)C(=O)N(C)Cc1nc2ccccc2s1)c1ccc(OC)cc1 ZINC000181811444 822002680 /nfs/dbraw/zinc/00/26/80/822002680.db2.gz JDJIJJMLMRWAAE-YJBOKZPZSA-N 1 0 397.544 4.393 20 0 GIADRO CCOc1cccc2cc([C@H](C)[NH2+]CCc3cccc(C(=O)N(C)C)c3)oc21 ZINC000181811434 822002865 /nfs/dbraw/zinc/00/28/65/822002865.db2.gz JWERQWWFFUEPAO-INIZCTEOSA-N 1 0 380.488 4.427 20 0 GIADRO Cc1cc(C)c2c(c1)[C@H]([NH2+]C[C@@H]1CC(=O)N(Cc3ccccc3)C1)CCCO2 ZINC000181813514 822003755 /nfs/dbraw/zinc/00/37/55/822003755.db2.gz KWOPCMSMVLNNFK-RBBKRZOGSA-N 1 0 378.516 4.155 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1OCC ZINC000181814950 822004189 /nfs/dbraw/zinc/00/41/89/822004189.db2.gz ZPMXCCXPDAELMS-ICSRJNTNSA-N 1 0 396.531 4.183 20 0 GIADRO CCOc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000181816730 822004468 /nfs/dbraw/zinc/00/44/68/822004468.db2.gz KMVWKJYISRKTJW-WMZOPIPTSA-N 1 0 386.923 4.438 20 0 GIADRO COc1cc([C@H](C)[NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)ccc1SC ZINC000181822316 822006970 /nfs/dbraw/zinc/00/69/70/822006970.db2.gz QLGHOFKSCXHWGG-FUHWJXTLSA-N 1 0 384.545 4.116 20 0 GIADRO Cc1ccc(S(=O)(=O)CCC[NH2+][C@@H](C)c2cccc(N3CCCC3)c2)cc1 ZINC000181863220 822019664 /nfs/dbraw/zinc/01/96/64/822019664.db2.gz BRXROFBKTTUNGM-IBGZPJMESA-N 1 0 386.561 4.110 20 0 GIADRO CC(C)C[C@@H]([NH2+]CC(=O)NCc1cccnc1)c1cccc(C(F)(F)F)c1 ZINC000181873695 822022860 /nfs/dbraw/zinc/02/28/60/822022860.db2.gz RTAOLKJCSLUZIC-GOSISDBHSA-N 1 0 379.426 4.094 20 0 GIADRO CC(C)OCCCCNC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000181876194 822023687 /nfs/dbraw/zinc/02/36/87/822023687.db2.gz OGJNWFKLKZGACM-UHFFFAOYSA-N 1 0 375.557 4.067 20 0 GIADRO CC[C@H](NC(=O)NCC[C@@H](C)[NH+]1CCCCC1)c1nc(C(F)(F)F)cs1 ZINC000181881305 822025022 /nfs/dbraw/zinc/02/50/22/822025022.db2.gz HKSDEBRGZDPHGO-OLZOCXBDSA-N 1 0 392.491 4.177 20 0 GIADRO Cc1cc(NC(=O)C[NH2+][C@H](CC(C)C)c2cccc(C(F)(F)F)c2)n(C)n1 ZINC000181885544 822026248 /nfs/dbraw/zinc/02/62/48/822026248.db2.gz ZFJNOLPETZJBDV-MRXNPFEDSA-N 1 0 382.430 4.063 20 0 GIADRO O=C(Nc1cc(C(F)(F)F)ccn1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000181884415 822026303 /nfs/dbraw/zinc/02/63/03/822026303.db2.gz UOSXEWUVQZNESH-UHFFFAOYSA-N 1 0 396.388 4.026 20 0 GIADRO CC(C)[C@H]([NH2+]Cc1cc(=O)n2ccsc2n1)c1cccc(C(F)(F)F)c1 ZINC000181889107 822027495 /nfs/dbraw/zinc/02/74/95/822027495.db2.gz HGRGAUNEOXLSMD-INIZCTEOSA-N 1 0 381.423 4.262 20 0 GIADRO CC(C)[C@@H]([NH2+]Cc1cc(=O)n2ccccc2n1)c1cccc(C(F)(F)F)c1 ZINC000181892997 822029035 /nfs/dbraw/zinc/02/90/35/822029035.db2.gz RASYVGKSQDENFC-LJQANCHMSA-N 1 0 375.394 4.200 20 0 GIADRO Cc1ccc(C[C@@H](C)C(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)cc1 ZINC000181899411 822030569 /nfs/dbraw/zinc/03/05/69/822030569.db2.gz CELXEYSBJRYLSR-RTWAWAEBSA-N 1 0 394.559 4.190 20 0 GIADRO Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)N(CC[NH+](C)C)C(C)C ZINC000181905204 822032743 /nfs/dbraw/zinc/03/27/43/822032743.db2.gz USIRHFKIANTXEA-UHFFFAOYSA-N 1 0 378.517 4.146 20 0 GIADRO Cc1sc(NC(=O)C[NH2+][C@H](C)c2cccc(OC(F)(F)F)c2)c(C#N)c1C ZINC000181906476 822033347 /nfs/dbraw/zinc/03/33/47/822033347.db2.gz VETKZADTSCPOAZ-LLVKDONJSA-N 1 0 397.422 4.425 20 0 GIADRO Cc1cc(NC(=O)C[NH2+][C@H](C)c2cccc(OC(F)(F)F)c2)n(C(C)(C)C)n1 ZINC000181907723 822033713 /nfs/dbraw/zinc/03/37/13/822033713.db2.gz VTISPCOHSHGSJA-CYBMUJFWSA-N 1 0 398.429 4.134 20 0 GIADRO COc1ccccc1[C@@H](C[NH2+][C@@H](C)c1ccc(NC(C)=O)cc1)N1CCCC1 ZINC000181913681 822035504 /nfs/dbraw/zinc/03/55/04/822035504.db2.gz MUZRRXKOCABTLL-HTAPYJJXSA-N 1 0 381.520 4.141 20 0 GIADRO CCN(CC)[C@@H](C[NH2+][C@@H](C)c1ccc(NC(C)=O)cc1)c1cccc(OC)c1 ZINC000181925178 822037698 /nfs/dbraw/zinc/03/76/98/822037698.db2.gz WRMGFIHUQFUUDI-SBUREZEXSA-N 1 0 383.536 4.387 20 0 GIADRO CC(=O)Nc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)cc1 ZINC000181954387 822044656 /nfs/dbraw/zinc/04/46/56/822044656.db2.gz UTTQCRJRXCCXCK-CABCVRRESA-N 1 0 380.492 4.341 20 0 GIADRO CC(C)(C)[C@@H]([NH2+]CC(=O)NCc1cccnc1)c1cccc(C(F)(F)F)c1 ZINC000181967824 822048387 /nfs/dbraw/zinc/04/83/87/822048387.db2.gz XJSLPDMNOYWJKL-SFHVURJKSA-N 1 0 379.426 4.094 20 0 GIADRO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+][C@H]1CCN(c2ncccc2F)C1 ZINC000181990432 822055494 /nfs/dbraw/zinc/05/54/94/822055494.db2.gz FGLZTQPWNVRFRL-KRWDZBQOSA-N 1 0 399.901 4.045 20 0 GIADRO CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H](O)COc2cccc(Cl)c2Cl)cc1 ZINC000181999606 822058415 /nfs/dbraw/zinc/05/84/15/822058415.db2.gz SUXXHJWWZXZPSO-BLLLJJGKSA-N 1 0 397.302 4.042 20 0 GIADRO C[C@@H]([NH2+]CCCNC(=O)C1CCC1)c1cc2cc(Br)ccc2o1 ZINC000182003663 822059382 /nfs/dbraw/zinc/05/93/82/822059382.db2.gz QOFCFWAMMGPZME-GFCCVEGCSA-N 1 0 379.298 4.152 20 0 GIADRO CC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccc(NC(=O)c3ccco3)cc2)cc1 ZINC000182011891 822062029 /nfs/dbraw/zinc/06/20/29/822062029.db2.gz BQLOUGFPPKGKPF-OAHLLOKOSA-N 1 0 377.444 4.341 20 0 GIADRO C[C@H](CNC(=O)CC1CCC(C(F)(F)F)CC1)N1CCc2sccc2C1 ZINC000182018332 822064341 /nfs/dbraw/zinc/06/43/41/822064341.db2.gz LVGCTONZCMDYDJ-VQCLRJIVSA-N 1 0 388.499 4.370 20 0 GIADRO O=c1ccccn1Cc1ccc(C[NH2+][C@H]2CCCOc3cc(F)ccc32)cc1 ZINC000182019704 822064575 /nfs/dbraw/zinc/06/45/75/822064575.db2.gz JKXMTHOKTFWTSJ-NRFANRHFSA-N 1 0 378.447 4.039 20 0 GIADRO C[C@H]([NH2+]Cc1ccccc1OCC(F)(F)F)c1ccc(-n2ccnn2)cc1 ZINC000182047694 822073111 /nfs/dbraw/zinc/07/31/11/822073111.db2.gz NIVHHWNTBTWTQV-AWEZNQCLSA-N 1 0 376.382 4.059 20 0 GIADRO CCC[C@@H]([NH2+][C@H](C)c1ccc(NC(C)=O)cc1)C(=O)N1CCc2sccc2C1 ZINC000182050858 822074064 /nfs/dbraw/zinc/07/40/64/822074064.db2.gz ZUPFQJPKHUDQHO-FOIQADDNSA-N 1 0 399.560 4.111 20 0 GIADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2sc(-c3ccc(F)c(F)c3)nc2C)C1 ZINC000182059215 822077827 /nfs/dbraw/zinc/07/78/27/822077827.db2.gz QFOISOIIDJOZDU-AWEZNQCLSA-N 1 0 393.503 4.201 20 0 GIADRO C[C@@H](CSCc1ccccc1)C(=O)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC000182062290 822078362 /nfs/dbraw/zinc/07/83/62/822078362.db2.gz JPROJVQQLNXLGE-SFHVURJKSA-N 1 0 398.572 4.151 20 0 GIADRO O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC000182066550 822080294 /nfs/dbraw/zinc/08/02/94/822080294.db2.gz JVZFTUARRXHOBL-UHFFFAOYSA-N 1 0 382.548 4.188 20 0 GIADRO Cc1nc(CN2CCC(C[NH2+][C@@H]3CCCOc4cc(F)ccc43)CC2)oc1C ZINC000182077476 822083900 /nfs/dbraw/zinc/08/39/00/822083900.db2.gz PFRZQIQRECUXAM-HXUWFJFHSA-N 1 0 387.499 4.146 20 0 GIADRO Cc1nc([C@H](NC2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)c2ccccc2F)no1 ZINC000182078871 822084669 /nfs/dbraw/zinc/08/46/69/822084669.db2.gz QBWICQHLHNOAHP-UQASEVPWSA-N 1 0 386.515 4.239 20 0 GIADRO Cc1cc(C[N@H+]2CCC[C@H](Cc3nccn3C)C2)ccc1Oc1cccnc1 ZINC000182090506 822089699 /nfs/dbraw/zinc/08/96/99/822089699.db2.gz LHACJODEWKZUIL-LJQANCHMSA-N 1 0 376.504 4.371 20 0 GIADRO CCOc1cccc2cc([C@@H](C)[NH2+][C@@H](C)Cn3ncc4ccccc4c3=O)oc21 ZINC000182092271 822090114 /nfs/dbraw/zinc/09/01/14/822090114.db2.gz DBLLBXRYDRJJHP-JKSUJKDBSA-N 1 0 391.471 4.281 20 0 GIADRO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000182092923 822090756 /nfs/dbraw/zinc/09/07/56/822090756.db2.gz GHPJVLKXGQWIFH-QFIPXVFZSA-N 1 0 391.563 4.045 20 0 GIADRO CCC(CC)(C[NH2+][C@@H](C)c1ccc(NC(C)=O)cc1)NC(=O)OC(C)(C)C ZINC000182104839 822095492 /nfs/dbraw/zinc/09/54/92/822095492.db2.gz QKQXCTZVSQGPCU-HNNXBMFYSA-N 1 0 377.529 4.379 20 0 GIADRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+][C@@H](C)c3ccc(NC(C)=O)cc3)ccc2NC1=O ZINC000182105510 822095826 /nfs/dbraw/zinc/09/58/26/822095826.db2.gz BJVHBIYTVXHFQB-MNVSYLFESA-N 1 0 381.476 4.166 20 0 GIADRO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]Cc1ccc(Cl)cn1 ZINC000182120116 822102202 /nfs/dbraw/zinc/10/22/02/822102202.db2.gz VAOSMNZMMIALIJ-LLVKDONJSA-N 1 0 387.789 4.141 20 0 GIADRO CCSc1ccc([C@H](C)[NH2+]Cc2nc(=O)c3c4c(sc3[nH]2)CCC4)cc1 ZINC000182126336 822105680 /nfs/dbraw/zinc/10/56/80/822105680.db2.gz MITYLCADWPTFRA-LBPRGKRZSA-N 1 0 385.558 4.436 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1)c1ccc(-n2cncn2)cc1 ZINC000182141859 822114299 /nfs/dbraw/zinc/11/42/99/822114299.db2.gz QSNSDVYCNNLIBZ-INIZCTEOSA-N 1 0 378.476 4.073 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+][C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)s1 ZINC000182154379 822120324 /nfs/dbraw/zinc/12/03/24/822120324.db2.gz XYIRGOHQQKMART-SDDDUWNISA-N 1 0 382.476 4.099 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1cccc(N2CCCC2=O)c1 ZINC000182158886 822123143 /nfs/dbraw/zinc/12/31/43/822123143.db2.gz DTDBWEZGDLVZAB-UPNLOYSTSA-N 1 0 386.442 4.272 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCCOc2cc(Cl)ccc21)c1ccc(S(C)(=O)=O)cc1 ZINC000182169515 822129051 /nfs/dbraw/zinc/12/90/51/822129051.db2.gz ZTZFQYSOYUQBSB-ACJLOTCBSA-N 1 0 379.909 4.308 20 0 GIADRO CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)cc1 ZINC000182174366 822131667 /nfs/dbraw/zinc/13/16/67/822131667.db2.gz UEPHUPZPJWYRJZ-SUMWQHHRSA-N 1 0 375.875 4.367 20 0 GIADRO COc1ccc(NC(=O)C[NH2+]C(C)(c2ccccc2)c2ccccc2)c(OC)c1 ZINC000182180928 822135990 /nfs/dbraw/zinc/13/59/90/822135990.db2.gz JMLYTBMPVWYLMC-UHFFFAOYSA-N 1 0 390.483 4.196 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)N(C)C[C@@H](C)c1nccs1)c1ccsc1 ZINC000182187690 822138775 /nfs/dbraw/zinc/13/87/75/822138775.db2.gz BALZEBFUFNLEFL-ZBFHGGJFSA-N 1 0 380.583 4.033 20 0 GIADRO CSCCCCCCNC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000182215347 822151253 /nfs/dbraw/zinc/15/12/53/822151253.db2.gz XNWYTBCVKDFMRR-UHFFFAOYSA-N 1 0 381.561 4.013 20 0 GIADRO CC(=O)Nc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)cc1 ZINC000182222735 822154761 /nfs/dbraw/zinc/15/47/61/822154761.db2.gz ZRKDXSGJZKFJFI-CXAGYDPISA-N 1 0 375.875 4.367 20 0 GIADRO Cc1nc(-c2cccc(NC(=O)C[NH2+][C@H](C)c3ccc4c(c3)OCO4)c2)cs1 ZINC000182259833 822173965 /nfs/dbraw/zinc/17/39/65/822173965.db2.gz FOSSKKQBVCNMPZ-CYBMUJFWSA-N 1 0 395.484 4.137 20 0 GIADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)CCc1cc(F)ccc1Br ZINC000182270267 822180553 /nfs/dbraw/zinc/18/05/53/822180553.db2.gz HCHOJHFGSDDRIU-CQSZACIVSA-N 1 0 387.337 4.148 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCCC[C@@H]2c2cn[nH]c2)C1 ZINC000182304921 822195385 /nfs/dbraw/zinc/19/53/85/822195385.db2.gz DHOIVSFQIYOQPG-PGRDOPGGSA-N 1 0 395.551 4.078 20 0 GIADRO CC[C@@H]([NH2+]Cc1nc(=O)c2c([nH]1)sc(C)c2-c1ccc(C)cc1)[C@@H]1CCCO1 ZINC000182334721 822205623 /nfs/dbraw/zinc/20/56/23/822205623.db2.gz ZSBCWNAOWFWYRC-SJORKVTESA-N 1 0 397.544 4.316 20 0 GIADRO CC[C@H]([NH2+][C@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1)[C@H]1CCCO1 ZINC000182344636 822208912 /nfs/dbraw/zinc/20/89/12/822208912.db2.gz XHZBQQAGBZLMQH-BWAGFHJFSA-N 1 0 382.504 4.231 20 0 GIADRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)c1 ZINC000182344831 822209289 /nfs/dbraw/zinc/20/92/89/822209289.db2.gz VJLIXVHFTSFHHP-NEPJUHHUSA-N 1 0 382.382 4.097 20 0 GIADRO Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000182358437 822214151 /nfs/dbraw/zinc/21/41/51/822214151.db2.gz MZYRKTRUXVPIMG-WOJBJXKFSA-N 1 0 383.561 4.329 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)N[C@@H](c2cccc(F)c2F)C(F)(F)F)c1 ZINC000182359372 822214431 /nfs/dbraw/zinc/21/44/31/822214431.db2.gz FMCFLSYTMWZZOO-INIZCTEOSA-N 1 0 387.352 4.452 20 0 GIADRO CN(C)c1nc2sc(C(=O)N3C[C@@H]4CCC[N@@H+]4Cc4ccccc43)cc2s1 ZINC000182363570 822216361 /nfs/dbraw/zinc/21/63/61/822216361.db2.gz WDVHIIDZBIUJOU-AWEZNQCLSA-N 1 0 398.557 4.049 20 0 GIADRO COc1ccccc1[C@H](C)CC(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000182365753 822216862 /nfs/dbraw/zinc/21/68/62/822216862.db2.gz VZKMBYVQIYFUTK-GOSISDBHSA-N 1 0 395.547 4.358 20 0 GIADRO C[C@@H](C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1)c1c(F)cccc1F ZINC000182370470 822218449 /nfs/dbraw/zinc/21/84/49/822218449.db2.gz RFMCWDUPENOGTC-OAHLLOKOSA-N 1 0 387.474 4.237 20 0 GIADRO C/C(=C\c1ccc(F)cc1)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000182371497 822218946 /nfs/dbraw/zinc/21/89/46/822218946.db2.gz VMEJXJKIFXOBMP-WUKNDPDISA-N 1 0 381.495 4.398 20 0 GIADRO COc1ccc([C@H](NC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)C2CC2)cc1 ZINC000182380352 822222110 /nfs/dbraw/zinc/22/21/10/822222110.db2.gz JLONOYBHDRRLJR-ZWDAVXSWSA-N 1 0 385.552 4.099 20 0 GIADRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)c1 ZINC000182413170 822233990 /nfs/dbraw/zinc/23/39/90/822233990.db2.gz KTTHJWRQPROICS-SOUVJXGZSA-N 1 0 382.460 4.064 20 0 GIADRO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(C(F)(F)F)cc2)c(OC)c1 ZINC000182416984 822235194 /nfs/dbraw/zinc/23/51/94/822235194.db2.gz PZVRPCZRSCHKEC-LBPRGKRZSA-N 1 0 382.382 4.012 20 0 GIADRO CCn1cc(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)c2ccccc21 ZINC000182433234 822241287 /nfs/dbraw/zinc/24/12/87/822241287.db2.gz JREMWXXJTLNWHS-UHFFFAOYSA-N 1 0 390.531 4.444 20 0 GIADRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)c1 ZINC000182437501 822242894 /nfs/dbraw/zinc/24/28/94/822242894.db2.gz KMWDGAHHAAAKMB-GHMZBOCLSA-N 1 0 383.275 4.385 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3cc4c(cccc4F)[nH]3)cc2)CC1 ZINC000182444223 822244730 /nfs/dbraw/zinc/24/47/30/822244730.db2.gz DJPDLHSHCTUJSN-UHFFFAOYSA-N 1 0 380.467 4.090 20 0 GIADRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)C(=O)Nc2cc(C)c(Cl)cc2OC)c1 ZINC000182452799 822247473 /nfs/dbraw/zinc/24/74/73/822247473.db2.gz IIBKILXOBMCFJK-QWHCGFSZSA-N 1 0 392.883 4.049 20 0 GIADRO CCC[C@@H](C)C[NH2+][C@@H](c1ccc(OC)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000182463470 822253000 /nfs/dbraw/zinc/25/30/00/822253000.db2.gz XITKPXUVVZBGBW-IERDGZPVSA-N 1 0 375.534 4.214 20 0 GIADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@H]1CCOc2c(Cl)cccc21 ZINC000177948702 822254348 /nfs/dbraw/zinc/25/43/48/822254348.db2.gz XTIOTABIYSZIAG-RISCZKNCSA-N 1 0 380.275 4.219 20 0 GIADRO C[C@H](Cc1cccc(Br)c1)[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000177955291 822256308 /nfs/dbraw/zinc/25/63/08/822256308.db2.gz KECHWYBHAAFKDW-QLEMLULZSA-N 1 0 380.351 4.468 20 0 GIADRO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)c1ccc(-n2cccn2)cc1 ZINC000177963778 822259460 /nfs/dbraw/zinc/25/94/60/822259460.db2.gz UMJLWGRXOGREEC-TYGFWLQKSA-N 1 0 396.535 4.453 20 0 GIADRO CC(=O)c1ccc(NC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)cc1Cl ZINC000182484214 822260802 /nfs/dbraw/zinc/26/08/02/822260802.db2.gz FOCQGOBCDPGFLY-UHFFFAOYSA-N 1 0 377.847 4.065 20 0 GIADRO C[C@H]([NH2+][C@H]1CCCc2cc(F)ccc21)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000182490552 822263967 /nfs/dbraw/zinc/26/39/67/822263967.db2.gz WAAGZFRTYRBLCZ-NYHFZMIOSA-N 1 0 382.479 4.211 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(C(C)=O)c(Cl)c1)c1ccco1 ZINC000182496781 822267810 /nfs/dbraw/zinc/26/78/10/822267810.db2.gz XCTMLIYOKFPFNR-KRWDZBQOSA-N 1 0 377.872 4.340 20 0 GIADRO CC(=O)c1ccc(NC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1Cl ZINC000182499280 822269636 /nfs/dbraw/zinc/26/96/36/822269636.db2.gz UVVPHGBOUHYCLI-ZFWWWQNUSA-N 1 0 377.916 4.317 20 0 GIADRO Fc1ccccc1C[N@@H+]1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000177998831 822276843 /nfs/dbraw/zinc/27/68/43/822276843.db2.gz FYLNDDQATGQZRB-CQSZACIVSA-N 1 0 378.373 4.267 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(C(C)(C)C)nn2Cc2ccccc2)C1 ZINC000178009148 822280237 /nfs/dbraw/zinc/28/02/37/822280237.db2.gz YTRBHECTNAJFMR-IBGZPJMESA-N 1 0 397.567 4.034 20 0 GIADRO COc1cc(C[NH2+]C(C)(C)c2ccc(F)c(F)c2)ccc1OC(=O)C1CC1 ZINC000182523691 822282254 /nfs/dbraw/zinc/28/22/54/822282254.db2.gz ZYTIYIKIQIQUMR-UHFFFAOYSA-N 1 0 375.415 4.314 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+]CC(=O)N[C@H](C)c2cccc3ccccc32)c1 ZINC000182527192 822284423 /nfs/dbraw/zinc/28/44/23/822284423.db2.gz CTQDNWFZPZWJQF-DLBZAZTESA-N 1 0 389.499 4.326 20 0 GIADRO Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC000178021566 822286509 /nfs/dbraw/zinc/28/65/09/822286509.db2.gz ZZUIURJDVJSIBB-SFHVURJKSA-N 1 0 394.991 4.285 20 0 GIADRO CC(=O)c1ccc(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1Cl ZINC000182531995 822286610 /nfs/dbraw/zinc/28/66/10/822286610.db2.gz WCJMDPDFDAVRJI-UHFFFAOYSA-N 1 0 377.916 4.461 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(C(=O)Nc3ccccc3)c2C)C1 ZINC000178025810 822288225 /nfs/dbraw/zinc/28/82/25/822288225.db2.gz YLUORPZPVPQNPU-GOSISDBHSA-N 1 0 394.519 4.053 20 0 GIADRO COc1cc(C)c([C@@H](C)[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)cc1OC ZINC000178036354 822292839 /nfs/dbraw/zinc/29/28/39/822292839.db2.gz CAWRMMJKZXMGLO-HZPDHXFCSA-N 1 0 384.476 4.381 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)c1 ZINC000182545767 822294913 /nfs/dbraw/zinc/29/49/13/822294913.db2.gz GPIBLKJRUDCKEV-MRXNPFEDSA-N 1 0 399.510 4.262 20 0 GIADRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)Nc3ccc(-c4ncco4)cc3)C2)CC1 ZINC000182547341 822295684 /nfs/dbraw/zinc/29/56/84/822295684.db2.gz GNZXVXSHFGNRKC-SFHVURJKSA-N 1 0 382.508 4.317 20 0 GIADRO C[C@@H]([NH2+]CC(=O)NCCC(C)(C)C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000182559019 822301817 /nfs/dbraw/zinc/30/18/17/822301817.db2.gz VXBJPVAAZJRURR-QGZVFWFLSA-N 1 0 381.520 4.142 20 0 GIADRO C[C@@H](c1ccc(F)c(F)c1)[NH+]1CCC(OCCCNC(=O)OC(C)(C)C)CC1 ZINC000178066329 822307105 /nfs/dbraw/zinc/30/71/05/822307105.db2.gz RZPGKHNGLQNOBZ-HNNXBMFYSA-N 1 0 398.494 4.422 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)Nc1ccc(-c2ncco2)cc1 ZINC000182570700 822307639 /nfs/dbraw/zinc/30/76/39/822307639.db2.gz ARZXRLKJEVBFIV-SFHVURJKSA-N 1 0 390.487 4.470 20 0 GIADRO [O-]c1c(Cl)cccc1C[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000182577877 822309926 /nfs/dbraw/zinc/30/99/26/822309926.db2.gz OQWDIXDVRFHLAV-UHFFFAOYSA-N 1 0 388.939 4.207 20 0 GIADRO CC(C)C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H](C)c1ccc([S@](C)=O)cc1 ZINC000178081968 822311774 /nfs/dbraw/zinc/31/17/74/822311774.db2.gz LESBDRDVFXEZQZ-MBXZGBHRSA-N 1 0 382.570 4.014 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(NS(C)(=O)=O)cc1)c1cccc(OC(F)F)c1 ZINC000178082748 822312169 /nfs/dbraw/zinc/31/21/69/822312169.db2.gz YXRUFKCCYBABFG-QWHCGFSZSA-N 1 0 384.448 4.071 20 0 GIADRO CCc1nc(CN2CCC(C[NH2+][C@@H](C)c3sc(C)nc3C)CC2)cs1 ZINC000178092514 822315706 /nfs/dbraw/zinc/31/57/06/822315706.db2.gz TXAZAKMBLLYIKL-ZDUSSCGKSA-N 1 0 378.611 4.342 20 0 GIADRO COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCc3c2cccc3Cl)c(OC)c1 ZINC000178090824 822315760 /nfs/dbraw/zinc/31/57/60/822315760.db2.gz RAJUFSUHRQSUPT-FZKQIMNGSA-N 1 0 388.895 4.351 20 0 GIADRO NC(=O)N1CCC([NH2+][C@@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000178102976 822320450 /nfs/dbraw/zinc/32/04/50/822320450.db2.gz CUZZJAPVILAEAW-SFHVURJKSA-N 1 0 378.303 4.216 20 0 GIADRO Cc1cc(C)c(NC(=O)C[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)c(C)c1 ZINC000178133357 822328662 /nfs/dbraw/zinc/32/86/62/822328662.db2.gz KOVUOTQIAKKNSZ-SFHVURJKSA-N 1 0 379.504 4.028 20 0 GIADRO COc1ccc(CN(C)C(=O)[C@@H](C)[NH2+][C@H](C)c2cc3ccccc3o2)cc1OC ZINC000182629222 822330085 /nfs/dbraw/zinc/33/00/85/822330085.db2.gz HBLJFCVGQNFXQU-HZPDHXFCSA-N 1 0 396.487 4.148 20 0 GIADRO CC(C)Oc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000178142761 822331386 /nfs/dbraw/zinc/33/13/86/822331386.db2.gz GQFXPXGPSGUBNL-HOTGVXAUSA-N 1 0 376.522 4.257 20 0 GIADRO Clc1ccc(C[NH2+][C@H]2CCO[C@]3(CCSC3)C2)cc1Br ZINC000182635996 822333095 /nfs/dbraw/zinc/33/30/95/822333095.db2.gz WYBWUTXPYCQUDJ-SWLSCSKDSA-N 1 0 376.747 4.247 20 0 GIADRO COCCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2OC)cc1OC ZINC000178150158 822334212 /nfs/dbraw/zinc/33/42/12/822334212.db2.gz PNZUNSYVVUGHJZ-CABCVRRESA-N 1 0 377.456 4.280 20 0 GIADRO CC[C@@H](C)[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(CO)cc1 ZINC000182644660 822336742 /nfs/dbraw/zinc/33/67/42/822336742.db2.gz SZTAUEXJJVYLFT-OAHLLOKOSA-N 1 0 394.437 4.437 20 0 GIADRO C[C@@H]([NH2+]C1CCN(Cc2ccccn2)CC1)c1cc(Br)ccc1F ZINC000178168799 822339614 /nfs/dbraw/zinc/33/96/14/822339614.db2.gz MJMOSURLHMFYEQ-CQSZACIVSA-N 1 0 392.316 4.298 20 0 GIADRO C[C@H]([NH2+]CCNC(=O)c1ccccc1Cl)c1ccc(Br)s1 ZINC000178169159 822339624 /nfs/dbraw/zinc/33/96/24/822339624.db2.gz KPPPVJDGFAYRTF-JTQLQIEISA-N 1 0 387.730 4.245 20 0 GIADRO C[C@@H](NC(=O)N[C@@H](C)c1ncc(-c2ccccc2)o1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182656593 822341037 /nfs/dbraw/zinc/34/10/37/822341037.db2.gz YLQKAGABDGQNBK-ZIFCJYIRSA-N 1 0 396.535 4.355 20 0 GIADRO C[C@@H](CCNC(=O)N(CCc1ccccc1)Cc1cccnc1)[NH+]1CCCCC1 ZINC000182660613 822343029 /nfs/dbraw/zinc/34/30/29/822343029.db2.gz GNNQAWMVDIHCOY-NRFANRHFSA-N 1 0 394.563 4.100 20 0 GIADRO CCOc1cccc2cc([C@H](C)[NH2+]CC(=O)N3CCC[C@@H](C(F)(F)F)C3)oc21 ZINC000182663726 822343856 /nfs/dbraw/zinc/34/38/56/822343856.db2.gz XTVXYNDMXVFNQV-DZGCQCFKSA-N 1 0 398.425 4.283 20 0 GIADRO C[C@H]([NH2+]Cc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1)c1ccsc1 ZINC000178181902 822345046 /nfs/dbraw/zinc/34/50/46/822345046.db2.gz DJQAQOARBHOFIX-KRWDZBQOSA-N 1 0 396.535 4.460 20 0 GIADRO COc1cc(C[NH2+]C2(c3ccc(F)cc3F)CCC2)ccc1OC(=O)C1CC1 ZINC000182676331 822348548 /nfs/dbraw/zinc/34/85/48/822348548.db2.gz BJLVCRYHGCMGCN-UHFFFAOYSA-N 1 0 387.426 4.458 20 0 GIADRO CCOC(=O)c1ccc(C[NH2+]C[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)o1 ZINC000182679084 822349071 /nfs/dbraw/zinc/34/90/71/822349071.db2.gz YIAFRBKVUGAJRD-AUUYWEPGSA-N 1 0 394.874 4.031 20 0 GIADRO Clc1ccc(C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)nc1 ZINC000182685134 822350995 /nfs/dbraw/zinc/35/09/95/822350995.db2.gz FWDXTECTQPLFFS-UHFFFAOYSA-N 1 0 389.890 4.332 20 0 GIADRO Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000182690162 822352650 /nfs/dbraw/zinc/35/26/50/822352650.db2.gz GREPRVBVZNLMCU-HXUWFJFHSA-N 1 0 387.572 4.060 20 0 GIADRO Cc1c([C@@H](C)[NH2+]Cc2ccc3c(c2)OCCO3)cnn1-c1cccc(Cl)c1 ZINC000178208587 822353010 /nfs/dbraw/zinc/35/30/10/822353010.db2.gz MUYKABXBXUOAGT-CQSZACIVSA-N 1 0 383.879 4.456 20 0 GIADRO C[C@@H]([NH2+]CC(=O)NCc1cccc(COCc2ccco2)c1)C1CCCCC1 ZINC000182697633 822354431 /nfs/dbraw/zinc/35/44/31/822354431.db2.gz RDEASTHKEDYBEN-GOSISDBHSA-N 1 0 384.520 4.171 20 0 GIADRO CC[C@@H]([NH2+]C1CCN(c2ccccc2OC)CC1)c1ccc2c(c1)OCCO2 ZINC000178229910 822356724 /nfs/dbraw/zinc/35/67/24/822356724.db2.gz CITVLPROSRCBQF-LJQANCHMSA-N 1 0 382.504 4.176 20 0 GIADRO COCc1cc([C@@H](C)[NH2+]C2CCN(c3ccccc3OC)CC2)ccc1OC ZINC000178231431 822356865 /nfs/dbraw/zinc/35/68/65/822356865.db2.gz AEDDZBFPTYGWKK-QGZVFWFLSA-N 1 0 384.520 4.170 20 0 GIADRO C[C@@H]([NH2+]C1CCN(Cc2ccncc2)CC1)c1cc(Br)ccc1F ZINC000178233569 822357091 /nfs/dbraw/zinc/35/70/91/822357091.db2.gz OHMARYROGIKQAY-CQSZACIVSA-N 1 0 392.316 4.298 20 0 GIADRO FC(F)(F)Oc1ccc2c(c1)[C@@H]([NH2+]C1CCN(Cc3ccncc3)CC1)CC2 ZINC000178235746 822357243 /nfs/dbraw/zinc/35/72/43/822357243.db2.gz JBUXOSAISRGTHK-FQEVSTJZSA-N 1 0 391.437 4.222 20 0 GIADRO CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000178243692 822357999 /nfs/dbraw/zinc/35/79/99/822357999.db2.gz SMNQRCDNJLMQFD-AUUYWEPGSA-N 1 0 387.911 4.143 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)N[C@@H]1CCSc2ccccc21 ZINC000045027463 822358200 /nfs/dbraw/zinc/35/82/00/822358200.db2.gz CITDJDYGFAZHMG-HXUWFJFHSA-N 1 0 381.545 4.187 20 0 GIADRO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@@H]1CCOC(C)(C)C1 ZINC000453409040 822358780 /nfs/dbraw/zinc/35/87/80/822358780.db2.gz GZXQCMLUTBPTJN-ZIAGYGMSSA-N 1 0 388.430 4.097 20 0 GIADRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCc1ccc(C(F)(F)F)cc1 ZINC000178252770 822358887 /nfs/dbraw/zinc/35/88/87/822358887.db2.gz LHRVAHLROHKJPD-LBPRGKRZSA-N 1 0 385.817 4.303 20 0 GIADRO C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@@H]1CCOC(C)(C)C1 ZINC000453409039 822358939 /nfs/dbraw/zinc/35/89/39/822358939.db2.gz GZXQCMLUTBPTJN-UONOGXRCSA-N 1 0 388.430 4.097 20 0 GIADRO Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000453412828 822359319 /nfs/dbraw/zinc/35/93/19/822359319.db2.gz ARAKWPVOQFQLHH-JSGCOSHPSA-N 1 0 381.398 4.009 20 0 GIADRO O=C1c2ccccc2C(=O)N1[C@H]1CCCC[C@@H]([NH2+]CCC2CC(F)(F)C2)C1 ZINC000453413707 822359503 /nfs/dbraw/zinc/35/95/03/822359503.db2.gz JAYIJQYIESZXCD-CVEARBPZSA-N 1 0 376.447 4.009 20 0 GIADRO CC(C)Oc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H](c3nccn3C)C2)cc1Cl ZINC000453416970 822360013 /nfs/dbraw/zinc/36/00/13/822360013.db2.gz ZTDCJPCKITUHCI-ZSZQSSIHSA-N 1 0 377.916 4.432 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)c1ccc2c(c1)CCC2)c1ccccc1OCC(=O)N(C)C ZINC000178258787 822360061 /nfs/dbraw/zinc/36/00/61/822360061.db2.gz XBNGJWNWKDXZTD-JTSKRJEESA-N 1 0 380.532 4.444 20 0 GIADRO C[C@H]([NH3+])c1ccc(NC(=O)[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)cc1 ZINC000178262895 822360502 /nfs/dbraw/zinc/36/05/02/822360502.db2.gz YEUFMLSTYWPQQR-AAEUAGOBSA-N 1 0 392.286 4.005 20 0 GIADRO Clc1ccc2c(c1)nccc2SCC[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000182742691 822361016 /nfs/dbraw/zinc/36/10/16/822361016.db2.gz SBMYZQYZEFJAPP-CQSZACIVSA-N 1 0 378.925 4.065 20 0 GIADRO Cc1ccc([C@@H]([NH2+]CCc2ccc(C)cn2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000453425771 822361276 /nfs/dbraw/zinc/36/12/76/822361276.db2.gz NUJNPFKKIAPYSV-HSZRJFAPSA-N 1 0 394.540 4.024 20 0 GIADRO Cc1ccc(C)n1-c1nc(CC(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cs1 ZINC000045085922 822361810 /nfs/dbraw/zinc/36/18/10/822361810.db2.gz FAXFZYCNGGEXDO-UHFFFAOYSA-N 1 0 394.544 4.328 20 0 GIADRO C[C@@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1ccc(SCC(F)F)cc1 ZINC000178296959 822364528 /nfs/dbraw/zinc/36/45/28/822364528.db2.gz XDHXAJHIIFPEOR-CQSZACIVSA-N 1 0 399.528 4.439 20 0 GIADRO CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]Cc1ccccc1CS(C)(=O)=O ZINC000178298442 822364820 /nfs/dbraw/zinc/36/48/20/822364820.db2.gz DPNRDKBLAAAZLI-CQSZACIVSA-N 1 0 381.925 4.134 20 0 GIADRO C[C@H](Cn1cc(Br)cn1)[NH2+]Cc1ccc(Oc2ccccc2)nc1 ZINC000178299778 822364913 /nfs/dbraw/zinc/36/49/13/822364913.db2.gz VEIXXOGZTQWJFD-CQSZACIVSA-N 1 0 387.281 4.011 20 0 GIADRO CC[N@@H+](c1ccc(N[C@H](C)c2ccc(NS(C)(=O)=O)cc2)cc1)C(C)C ZINC000182772802 822365334 /nfs/dbraw/zinc/36/53/34/822365334.db2.gz LDZLHVPVWVJJDJ-MRXNPFEDSA-N 1 0 375.538 4.466 20 0 GIADRO Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000182772857 822365364 /nfs/dbraw/zinc/36/53/64/822365364.db2.gz QMTYKQXWLJBQOW-JAXLGGSGSA-N 1 0 395.551 4.099 20 0 GIADRO O=C(CSc1nccc2ccccc21)NCc1ccccc1C[NH+]1CCCC1 ZINC000178318680 822366969 /nfs/dbraw/zinc/36/69/69/822366969.db2.gz YYWUMHSBHSYOBH-UHFFFAOYSA-N 1 0 391.540 4.239 20 0 GIADRO CCN(c1nnc([C@@H]2CCCCO2)n1CC)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000453455311 822367030 /nfs/dbraw/zinc/36/70/30/822367030.db2.gz SRQZQRMPQTXGHX-JBACZVJFSA-N 1 0 397.567 4.201 20 0 GIADRO COc1cc(OC)c([C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)cc1Cl ZINC000178325771 822367429 /nfs/dbraw/zinc/36/74/29/822367429.db2.gz VPYRRNHAFMXFOF-UONOGXRCSA-N 1 0 386.883 4.350 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)N1CC[C@@H]1c1ccccc1 ZINC000045182238 822368306 /nfs/dbraw/zinc/36/83/06/822368306.db2.gz XLOWMJHRLDZSAQ-OAQYLSRUSA-N 1 0 383.923 4.461 20 0 GIADRO C[NH2+]C[C@H]1CCCN(C(=O)CCN2c3ccccc3Sc3ccccc32)C1 ZINC000178336000 822368466 /nfs/dbraw/zinc/36/84/66/822368466.db2.gz XRGMPBGGPYKIBX-QGZVFWFLSA-N 1 0 381.545 4.137 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H](C)CCc1ccc(O)cc1 ZINC000045184704 822368528 /nfs/dbraw/zinc/36/85/28/822368528.db2.gz CSXDPEQKKGGVCF-SFHVURJKSA-N 1 0 383.536 4.055 20 0 GIADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)c2sc(C)nc2C)cc1 ZINC000178340279 822369015 /nfs/dbraw/zinc/36/90/15/822369015.db2.gz CHOKGEQXFZZAHO-UONOGXRCSA-N 1 0 395.594 4.202 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCCC1)N1CCC[C@@H]1c1ccncc1 ZINC000045192961 822369533 /nfs/dbraw/zinc/36/95/33/822369533.db2.gz XKIIOOILJDXPMV-JOCHJYFZSA-N 1 0 378.520 4.114 20 0 GIADRO Cc1cc2ncc([C@H](C)Nc3cccc(C[NH+]4CCSCC4)c3)c(C)n2n1 ZINC000182804065 822370361 /nfs/dbraw/zinc/37/03/61/822370361.db2.gz YLUBMRYSDCLUCM-INIZCTEOSA-N 1 0 381.549 4.068 20 0 GIADRO COCCc1nc(C)c([C@H](C)Nc2cccc(C[NH+]3CCSCC3)c2)s1 ZINC000182806981 822371006 /nfs/dbraw/zinc/37/10/06/822371006.db2.gz DVYKUTANFKHNLJ-HNNXBMFYSA-N 1 0 391.606 4.362 20 0 GIADRO FC(F)(F)CN1CCC([NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000178369204 822371992 /nfs/dbraw/zinc/37/19/92/822371992.db2.gz UNOXFXSSCUWYLF-HNNXBMFYSA-N 1 0 382.348 4.189 20 0 GIADRO COc1ccc(CC[N@@H+](Cc2ccsc2)CC2CCOCC2)cc1OC ZINC000178370809 822372140 /nfs/dbraw/zinc/37/21/40/822372140.db2.gz CYYJTOGOCJBHFM-UHFFFAOYSA-N 1 0 375.534 4.237 20 0 GIADRO C[C@@H](NC(=O)c1c[nH]nc1-c1ccc(Cl)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182822037 822373130 /nfs/dbraw/zinc/37/31/30/822373130.db2.gz NNDGZITXHYBIEP-ZBFHGGJFSA-N 1 0 386.927 4.113 20 0 GIADRO CC(C)n1ncc2cc(C[N@H+](CCCO)[C@@H]3CCCc4ccccc43)cnc21 ZINC000178397182 822375206 /nfs/dbraw/zinc/37/52/06/822375206.db2.gz JXBFJHDTFUXNFA-JOCHJYFZSA-N 1 0 378.520 4.274 20 0 GIADRO COc1ccccc1C[C@H]([NH2+][C@@H](C)C(=O)Nc1c(F)cccc1F)C(C)C ZINC000178399014 822375332 /nfs/dbraw/zinc/37/53/32/822375332.db2.gz COTUSCZJZGUECR-KSSFIOAISA-N 1 0 376.447 4.157 20 0 GIADRO C[C@H](Oc1cccc(F)c1)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000045299697 822377666 /nfs/dbraw/zinc/37/76/66/822377666.db2.gz NVILYLWHYWSFRP-HNNXBMFYSA-N 1 0 390.886 4.027 20 0 GIADRO CCOc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(OC)c(Br)c1)CCO2 ZINC000178423073 822377855 /nfs/dbraw/zinc/37/78/55/822377855.db2.gz ADGPSPVTGQYSAF-KRWDZBQOSA-N 1 0 392.293 4.470 20 0 GIADRO C[C@H](NC(=O)N(C)Cc1ccc(F)cc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182850019 822378409 /nfs/dbraw/zinc/37/84/09/822378409.db2.gz IMFXPWKMOADCHG-LSDHHAIUSA-N 1 0 381.923 4.274 20 0 GIADRO O=C(Nc1ccc2c3c(cccc31)CC2)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000178434557 822378771 /nfs/dbraw/zinc/37/87/71/822378771.db2.gz QMUASRODZLOXLQ-XMSQKQJNSA-N 1 0 375.516 4.419 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cc2ccc(F)cc2nc1C ZINC000045353583 822380735 /nfs/dbraw/zinc/38/07/35/822380735.db2.gz WOAWTKMXAJUHBE-UHFFFAOYSA-N 1 0 379.479 4.454 20 0 GIADRO C[C@H](NC(=O)Nc1nnc(-c2ccsc2)s1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182860670 822380894 /nfs/dbraw/zinc/38/08/94/822380894.db2.gz FZYAOUMJTDKLEO-STQMWFEESA-N 1 0 391.566 4.041 20 0 GIADRO C[C@H](NC(=O)c1ccccc1C(=O)c1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182874083 822383637 /nfs/dbraw/zinc/38/36/37/822383637.db2.gz UIUVXCPIIXHVFH-AZUAARDMSA-N 1 0 390.527 4.300 20 0 GIADRO CCC[C@@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(OC)cc1 ZINC000178487524 822384345 /nfs/dbraw/zinc/38/43/45/822384345.db2.gz TYWMXSMGJDJXRM-IIBYNOLFSA-N 1 0 390.549 4.138 20 0 GIADRO CSc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1F ZINC000178487802 822384382 /nfs/dbraw/zinc/38/43/82/822384382.db2.gz ILJWTALOWNTFTM-KGLIPLIRSA-N 1 0 396.553 4.210 20 0 GIADRO CSc1ccc(NC(=O)C[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)cc1 ZINC000182878672 822384650 /nfs/dbraw/zinc/38/46/50/822384650.db2.gz LFJRSIUENGUWNQ-AWEZNQCLSA-N 1 0 398.507 4.331 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@H](C)CN2CCCC2=O)cnn1-c1ccc(Cl)cc1Cl ZINC000178491604 822385079 /nfs/dbraw/zinc/38/50/79/822385079.db2.gz HJGNBOPLDJWDHE-OLZOCXBDSA-N 1 0 395.334 4.149 20 0 GIADRO Cc1cc(Br)c(C[NH2+]CCc2nnc(-c3ccccc3)o2)s1 ZINC000453564399 822385150 /nfs/dbraw/zinc/38/51/50/822385150.db2.gz GYYZHMBBNZCBMN-UHFFFAOYSA-N 1 0 378.295 4.201 20 0 GIADRO C[C@H](NC(=O)N(C)Cc1ccc(Cl)c(F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182882442 822385385 /nfs/dbraw/zinc/38/53/85/822385385.db2.gz HDYJTJPXDOFNSO-GOEBONIOSA-N 1 0 381.923 4.274 20 0 GIADRO C[C@H](NC(=O)N(Cc1ccc(F)cc1F)C1CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182882838 822385425 /nfs/dbraw/zinc/38/54/25/822385425.db2.gz LDRYODGOACECEM-HOTGVXAUSA-N 1 0 391.506 4.292 20 0 GIADRO Cc1cc(Br)c(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)s1 ZINC000453568183 822385577 /nfs/dbraw/zinc/38/55/77/822385577.db2.gz WWLXVWNDXSJEQZ-CYBMUJFWSA-N 1 0 391.338 4.241 20 0 GIADRO Cc1cc(Br)c(C[NH+]2CCC(C(=O)NC3CCCCC3)CC2)s1 ZINC000453569541 822385613 /nfs/dbraw/zinc/38/56/13/822385613.db2.gz YXWCZEMRQSNCIS-UHFFFAOYSA-N 1 0 399.398 4.480 20 0 GIADRO CN(C)S(=O)(=O)c1ccc(C[NH2+][C@H]2CCc3c2ccc(Cl)c3Cl)cc1 ZINC000178503208 822385849 /nfs/dbraw/zinc/38/58/49/822385849.db2.gz NWEDIJJRESOZET-KRWDZBQOSA-N 1 0 399.343 4.021 20 0 GIADRO CCC[C@@H]([NH2+][C@@H](C)c1sc(C)nc1C)C(=O)N1CCc2sccc2C1 ZINC000178503551 822385968 /nfs/dbraw/zinc/38/59/68/822385968.db2.gz VUDHRZCERMTFEA-XJKSGUPXSA-N 1 0 377.579 4.226 20 0 GIADRO CN(C)S(=O)(=O)c1ccc(C[NH2+][C@@H]2CCc3c2ccc(Cl)c3Cl)cc1 ZINC000178503196 822385977 /nfs/dbraw/zinc/38/59/77/822385977.db2.gz NWEDIJJRESOZET-QGZVFWFLSA-N 1 0 399.343 4.021 20 0 GIADRO c1ccc2c(c1)CCOC21CC[NH+](Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000453571898 822386116 /nfs/dbraw/zinc/38/61/16/822386116.db2.gz CIFHQGFIOGBKOA-UHFFFAOYSA-N 1 0 387.483 4.333 20 0 GIADRO CC1(C)C[C@@H](C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CCO1 ZINC000453573569 822386288 /nfs/dbraw/zinc/38/62/88/822386288.db2.gz ALUZZDKWBYDROH-FQEVSTJZSA-N 1 0 390.531 4.288 20 0 GIADRO Fc1ccc(-c2n[nH]cc2C[NH+]2CCC3(CC2)OCCc2ccccc23)cc1 ZINC000453576455 822386846 /nfs/dbraw/zinc/38/68/46/822386846.db2.gz PTSIPHDTUSDIHJ-UHFFFAOYSA-N 1 0 377.463 4.280 20 0 GIADRO CC(C)c1noc(CCC[NH2+][C@@H]2CCCOc3c(Br)cccc32)n1 ZINC000178514535 822386959 /nfs/dbraw/zinc/38/69/59/822386959.db2.gz ZPGNPVGECQPPHH-OAHLLOKOSA-N 1 0 394.313 4.392 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000453576569 822387090 /nfs/dbraw/zinc/38/70/90/822387090.db2.gz VUYLODKLKDDMBV-LLVKDONJSA-N 1 0 395.454 4.432 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CCCc1nnc2n1CCCCC2 ZINC000178526846 822388046 /nfs/dbraw/zinc/38/80/46/822388046.db2.gz VGQPAOTXTQEEMB-OAHLLOKOSA-N 1 0 396.564 4.115 20 0 GIADRO C[C@@H](NC(=O)c1c[nH]nc1-c1ccccc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182897977 822388433 /nfs/dbraw/zinc/38/84/33/822388433.db2.gz FDHYSOHQSYOVJK-HUUCEWRRSA-N 1 0 386.927 4.113 20 0 GIADRO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(C(F)(F)F)nc1Cl ZINC000178542009 822389955 /nfs/dbraw/zinc/38/99/55/822389955.db2.gz JEZPGDGBMZXSEK-CQSZACIVSA-N 1 0 397.828 4.148 20 0 GIADRO CC[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)c1ccc(Cl)cc1 ZINC000453596033 822390536 /nfs/dbraw/zinc/39/05/36/822390536.db2.gz WHXVFAPVAXCVGP-WOJBJXKFSA-N 1 0 399.922 4.095 20 0 GIADRO CC[C@H](NC(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)c1ccc(Cl)cc1 ZINC000453596030 822390626 /nfs/dbraw/zinc/39/06/26/822390626.db2.gz WHXVFAPVAXCVGP-PMACEKPBSA-N 1 0 399.922 4.095 20 0 GIADRO C[C@@H](O)c1ccc(C[NH2+][C@@H](C)c2ccc(I)cc2)cc1 ZINC000178554746 822391295 /nfs/dbraw/zinc/39/12/95/822391295.db2.gz JSCUWUBODSNJQZ-QWHCGFSZSA-N 1 0 381.257 4.195 20 0 GIADRO O=C(C[NH2+][C@@H](CO)c1ccccc1)Nc1ccccc1Sc1ccccc1 ZINC000182911819 822391401 /nfs/dbraw/zinc/39/14/01/822391401.db2.gz HJHMCZXZWFMODZ-FQEVSTJZSA-N 1 0 378.497 4.100 20 0 GIADRO Cc1ccc([C@@H](C)N(C)C(=O)C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)c(C)c1 ZINC000453608227 822392443 /nfs/dbraw/zinc/39/24/43/822392443.db2.gz UMMVRYAKYFDCQT-VGOFRKELSA-N 1 0 393.531 4.010 20 0 GIADRO Cc1cc(Br)c(CN(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)s1 ZINC000453611662 822392912 /nfs/dbraw/zinc/39/29/12/822392912.db2.gz RSPURGSHCLNNED-YJBOKZPZSA-N 1 0 394.382 4.339 20 0 GIADRO CON1CCC([N@H+](C)Cc2cnc(-c3ccc(Br)cc3)s2)CC1 ZINC000453620686 822394318 /nfs/dbraw/zinc/39/43/18/822394318.db2.gz MHENKJQRSLWFLT-UHFFFAOYSA-N 1 0 396.354 4.030 20 0 GIADRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+]CCCN1CCOC1=O ZINC000178588430 822394465 /nfs/dbraw/zinc/39/44/65/822394465.db2.gz JNLUSVHBGPNMBY-LBPRGKRZSA-N 1 0 379.913 4.265 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)N[C@H]1CCSc2ccc(F)cc21)c1ccsc1 ZINC000045541312 822394641 /nfs/dbraw/zinc/39/46/41/822394641.db2.gz JVRAOYRYCRUGCX-HOTGVXAUSA-N 1 0 379.526 4.026 20 0 GIADRO CC[NH+](CC)Cc1cc([C@H](C)NCc2cn3c(cccc3C)n2)ccc1OC ZINC000182930547 822395071 /nfs/dbraw/zinc/39/50/71/822395071.db2.gz LGAOWEUEMLHIRC-SFHVURJKSA-N 1 0 380.536 4.344 20 0 GIADRO C[C@](O)(C[NH2+][C@@H]1CCCOc2ccc(Br)cc21)c1cccs1 ZINC000178605368 822395812 /nfs/dbraw/zinc/39/58/12/822395812.db2.gz JMVXQHYSICGVBF-PBHICJAKSA-N 1 0 382.323 4.222 20 0 GIADRO COc1cccc([C@H](O)C[N@H+](Cc2ccccc2)Cc2ccnc(Cl)c2)c1 ZINC000178614498 822396301 /nfs/dbraw/zinc/39/63/01/822396301.db2.gz VQPNLVZZRAECSK-OAQYLSRUSA-N 1 0 382.891 4.479 20 0 GIADRO CCCOc1ccc([C@@H](C)[NH2+]Cc2cccc(NC(=O)[C@H]3CCCO3)c2)cc1 ZINC000178615559 822396357 /nfs/dbraw/zinc/39/63/57/822396357.db2.gz UUWJCKACMCVRTM-VGOFRKELSA-N 1 0 382.504 4.444 20 0 GIADRO C[C@H](NC(=O)N(C)CCOc1ccc(Cl)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182938319 822396426 /nfs/dbraw/zinc/39/64/26/822396426.db2.gz HKLDGROOPKVYLV-IRXDYDNUSA-N 1 0 393.959 4.013 20 0 GIADRO CCSc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(S(=O)(=O)NC)c2)cc1 ZINC000178621670 822397003 /nfs/dbraw/zinc/39/70/03/822397003.db2.gz GGZBSBBXCSSKNT-GJZGRUSLSA-N 1 0 378.563 4.119 20 0 GIADRO Cc1ccc(C)c([C@H](C)N(C)C(=O)C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)c1 ZINC000453641111 822397128 /nfs/dbraw/zinc/39/71/28/822397128.db2.gz RGSHPFDOMCJWJJ-JTSKRJEESA-N 1 0 393.531 4.010 20 0 GIADRO Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1ccccc1-c1ccc(Cn2ccnc2)cc1 ZINC000178626687 822397399 /nfs/dbraw/zinc/39/73/99/822397399.db2.gz UEIOXGRCEVISEU-GOSISDBHSA-N 1 0 385.515 4.491 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)Nc2ccc(-n3cccn3)cc2)CC1 ZINC000182953977 822399123 /nfs/dbraw/zinc/39/91/23/822399123.db2.gz RSIZHEKBGJRFMV-UHFFFAOYSA-N 1 0 383.540 4.238 20 0 GIADRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)C1(c2ccccc2)CCOCC1 ZINC000178656079 822400054 /nfs/dbraw/zinc/40/00/54/822400054.db2.gz XUZZHCMZHQILMF-UHFFFAOYSA-N 1 0 378.516 4.278 20 0 GIADRO Cn1cc(C[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)c(C2CCCCC2)n1 ZINC000182964326 822400678 /nfs/dbraw/zinc/40/06/78/822400678.db2.gz YUKIAXBULDNNQV-UHFFFAOYSA-N 1 0 396.535 4.024 20 0 GIADRO Cc1ccc(NC2CC[NH+](C(C)(C)C)CC2)cc1NC(=O)CN1CCCCC1 ZINC000182968224 822401552 /nfs/dbraw/zinc/40/15/52/822401552.db2.gz NPRVBGAJHFKWCF-UHFFFAOYSA-N 1 0 386.584 4.094 20 0 GIADRO CC/C(=C\C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccc(OC)cc1 ZINC000178677954 822401991 /nfs/dbraw/zinc/40/19/91/822401991.db2.gz QSUCKMDWYUQYMZ-GHNGSUTGSA-N 1 0 393.531 4.225 20 0 GIADRO C[C@@H](C(=O)Nc1ccc2nc(N3CCCC3)sc2c1)[C@H]([NH3+])c1ccccc1 ZINC000178675420 822402010 /nfs/dbraw/zinc/40/20/10/822402010.db2.gz BSVSJQAPVAETKA-KUHUBIRLSA-N 1 0 380.517 4.171 20 0 GIADRO CCOc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1ccc(N3CCCC3=O)cc1)CCO2 ZINC000178722384 822405698 /nfs/dbraw/zinc/40/56/98/822405698.db2.gz HTAFMNLPVJBBRX-IIBYNOLFSA-N 1 0 380.488 4.387 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)C(=O)Nc3cccc(C4CCC4)c3)ccc21 ZINC000453753479 822407169 /nfs/dbraw/zinc/40/71/69/822407169.db2.gz DFZVGFKOVQHFDA-OAQYLSRUSA-N 1 0 377.488 4.080 20 0 GIADRO Cn1cc(C[N@H+](C)C2CCN(C(=O)OC(C)(C)C)CC2)c(C2CCCCC2)n1 ZINC000183004797 822409578 /nfs/dbraw/zinc/40/95/78/822409578.db2.gz UNTHDYNGFDROFS-UHFFFAOYSA-N 1 0 390.572 4.299 20 0 GIADRO COCC[NH+]1CCC(N[C@@H](c2ccccc2Cl)c2ccccc2OC)CC1 ZINC000178791343 822410293 /nfs/dbraw/zinc/41/02/93/822410293.db2.gz MLLZKLDEITWKDD-QFIPXVFZSA-N 1 0 388.939 4.138 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)N(C)[C@H]2CCc3ccccc32)CC1 ZINC000045756559 822410791 /nfs/dbraw/zinc/41/07/91/822410791.db2.gz QSBDKMOBLCNHDI-QHCPKHFHSA-N 1 0 377.532 4.288 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000045755959 822410804 /nfs/dbraw/zinc/41/08/04/822410804.db2.gz NZFWRMVGCRYAJR-NRFANRHFSA-N 1 0 398.938 4.246 20 0 GIADRO CCC(=O)Nc1ccc(NC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000045756464 822410837 /nfs/dbraw/zinc/41/08/37/822410837.db2.gz NFNKWNNHCYULGB-UHFFFAOYSA-N 1 0 394.519 4.130 20 0 GIADRO COc1ccc(C[NH2+][C@@H](C)c2ccc(OC[C@H]3CCCCO3)c(F)c2)cc1O ZINC000178801873 822411729 /nfs/dbraw/zinc/41/17/29/822411729.db2.gz HPUHQAPVIGBJHP-MAUKXSAKSA-N 1 0 389.467 4.339 20 0 GIADRO Cc1cc([C@H]2CCCN2C(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)no1 ZINC000045787893 822413736 /nfs/dbraw/zinc/41/37/36/822413736.db2.gz KZLOGYXFYYXHBL-HTAPYJJXSA-N 1 0 396.535 4.262 20 0 GIADRO COc1ccc(CN(C)C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000045789462 822414019 /nfs/dbraw/zinc/41/40/19/822414019.db2.gz FXFXPHKIXWMUEH-IBGZPJMESA-N 1 0 395.547 4.269 20 0 GIADRO O=C(NCc1ccc(OCc2ccccc2)cc1)N1CCC([NH+]2CCCC2)CC1 ZINC000045792627 822414166 /nfs/dbraw/zinc/41/41/66/822414166.db2.gz XIGMQRUXDWFEAK-UHFFFAOYSA-N 1 0 393.531 4.035 20 0 GIADRO CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000045803645 822415010 /nfs/dbraw/zinc/41/50/10/822415010.db2.gz HJUAOCKRNCYWQP-UHFFFAOYSA-N 1 0 395.956 4.074 20 0 GIADRO C[C@@H](C(=O)Nc1ccccc1Cl)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000045806871 822415182 /nfs/dbraw/zinc/41/51/82/822415182.db2.gz IVFOWSXMCASAQA-KRWDZBQOSA-N 1 0 377.960 4.255 20 0 GIADRO Cc1ccccc1CN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000045813148 822415719 /nfs/dbraw/zinc/41/57/19/822415719.db2.gz TXYZWRGVKUDCCN-ROUUACIJSA-N 1 0 393.531 4.041 20 0 GIADRO CCc1ccc(CN(C(=O)NCc2cccc(OCC[NH+](C)C)c2)C2CC2)cc1 ZINC000045814166 822415903 /nfs/dbraw/zinc/41/59/03/822415903.db2.gz PKLPIHWQPXBMBT-UHFFFAOYSA-N 1 0 395.547 4.064 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)Nc2cccc(-c3noc(C)n3)c2)CC1 ZINC000183040278 822416038 /nfs/dbraw/zinc/41/60/38/822416038.db2.gz YDAGUZHSODUTRX-UHFFFAOYSA-N 1 0 399.539 4.411 20 0 GIADRO C[C@H]([NH3+])C1CCN(C(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)CC1 ZINC000178851624 822416423 /nfs/dbraw/zinc/41/64/23/822416423.db2.gz JKHUDKQBKRXPIQ-NSHDSACASA-N 1 0 398.359 4.245 20 0 GIADRO C[C@@H]([NH3+])C1CCN(C(=O)[C@H](Sc2ccc(F)c(F)c2)c2ccccc2)CC1 ZINC000178861652 822417316 /nfs/dbraw/zinc/41/73/16/822417316.db2.gz UEPZVKITVLFBHL-JLTOFOAXSA-N 1 0 390.499 4.384 20 0 GIADRO Cc1cc2ccccc2c(NC(=O)C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)c1 ZINC000453932258 822419719 /nfs/dbraw/zinc/41/97/19/822419719.db2.gz AHABLODQIPWEQZ-JOCHJYFZSA-N 1 0 387.483 4.274 20 0 GIADRO CCCN(C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1)[C@@H]1CC[NH2+]C1 ZINC000178900777 822420206 /nfs/dbraw/zinc/42/02/06/822420206.db2.gz IOLPSHTYRZLNCB-CQSZACIVSA-N 1 0 394.302 4.395 20 0 GIADRO CCc1ccc([C@H](CNC(=O)c2cc3ccc(F)cc3nc2C)[NH+](C)C)cc1 ZINC000045871049 822420428 /nfs/dbraw/zinc/42/04/28/822420428.db2.gz VEUZPMDLMDRPBB-QFIPXVFZSA-N 1 0 379.479 4.277 20 0 GIADRO O=C(NCCc1c[nH]c2ccccc12)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000178911995 822421258 /nfs/dbraw/zinc/42/12/58/822421258.db2.gz COSXXHOZJZMXHR-UHFFFAOYSA-N 1 0 382.552 4.008 20 0 GIADRO OCC1CC[NH+](Cc2cccc(N[C@H]3CSCCc4ccccc43)c2)CC1 ZINC000183080847 822422034 /nfs/dbraw/zinc/42/20/34/822422034.db2.gz XCBKXBCXIJZGHA-QHCPKHFHSA-N 1 0 382.573 4.333 20 0 GIADRO COCc1noc([C@@H](C)[NH2+]CC2(c3ccc(Br)cc3)CCCC2)n1 ZINC000183081501 822422241 /nfs/dbraw/zinc/42/22/41/822422241.db2.gz JOEFGDMJLYJRIZ-CYBMUJFWSA-N 1 0 394.313 4.141 20 0 GIADRO COc1cc(C)c([C@@H](C)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)cc1OC ZINC000183082701 822422464 /nfs/dbraw/zinc/42/24/64/822422464.db2.gz NMXODVXHUXXINY-GOSISDBHSA-N 1 0 398.547 4.390 20 0 GIADRO C[S@](=O)C[C@H]([NH2+]Cc1c(-c2ccccc2)nc2ccccn21)c1ccccc1 ZINC000183085054 822422894 /nfs/dbraw/zinc/42/28/94/822422894.db2.gz ZOZUJHYWZZKJMQ-MMTVBGGISA-N 1 0 389.524 4.211 20 0 GIADRO CCCCOc1c(Cl)cc(C(=O)N(C)C2CC[NH+](CC)CC2)cc1OC ZINC000045907425 822422923 /nfs/dbraw/zinc/42/29/23/822422923.db2.gz VRZVWBJNBURFEY-UHFFFAOYSA-N 1 0 382.932 4.084 20 0 GIADRO C[NH2+]C[C@H]1CCN(C(=O)[C@H](Sc2ccc(F)c(Cl)c2)c2ccccc2)C1 ZINC000178983702 822426294 /nfs/dbraw/zinc/42/62/94/822426294.db2.gz GFTCFDWDKNLZCF-AUUYWEPGSA-N 1 0 392.927 4.380 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)Nc2ccc(-c3cc[nH]n3)cc2)CC1 ZINC000183116674 822426448 /nfs/dbraw/zinc/42/64/48/822426448.db2.gz ZMDKGEKQNGMEOL-UHFFFAOYSA-N 1 0 383.540 4.443 20 0 GIADRO CC(C)c1noc(CN2CCC([N@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)n1 ZINC000178991103 822427096 /nfs/dbraw/zinc/42/70/96/822427096.db2.gz AAUNVXLNAPEILK-UHFFFAOYSA-N 1 0 396.457 4.308 20 0 GIADRO C/C(=C\c1cccc(Cl)c1)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000178993265 822427367 /nfs/dbraw/zinc/42/73/67/822427367.db2.gz XHQCJKOJBWVVNX-GHRIWEEISA-N 1 0 398.934 4.016 20 0 GIADRO Cc1cccc([C@H](C)NC(=O)C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000454084478 822427487 /nfs/dbraw/zinc/42/74/87/822427487.db2.gz IIMAABYLOGOFOT-MOPGFXCFSA-N 1 0 393.531 4.043 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)cc1 ZINC000045979914 822429189 /nfs/dbraw/zinc/42/91/89/822429189.db2.gz ZIMRMHNIRGDDGL-QGZVFWFLSA-N 1 0 394.519 4.341 20 0 GIADRO CC(C)CNC(=O)c1cccc(C[NH2+][C@H](C)c2ccccc2-n2cccn2)c1 ZINC000183140195 822429723 /nfs/dbraw/zinc/42/97/23/822429723.db2.gz YWFSFSSOTZRERD-GOSISDBHSA-N 1 0 376.504 4.109 20 0 GIADRO C[N@@H+](Cc1cccc2cnccc21)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000183142181 822430311 /nfs/dbraw/zinc/43/03/11/822430311.db2.gz MRRFISHWSYFVEK-KRWDZBQOSA-N 1 0 390.405 4.125 20 0 GIADRO CCOc1cc(NC(=O)NCc2cccc(C[NH+](CC)CC)c2)ccc1OC ZINC000045986450 822430588 /nfs/dbraw/zinc/43/05/88/822430588.db2.gz WFEWFVIUMIDRTK-UHFFFAOYSA-N 1 0 385.508 4.257 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cc(F)ccc2C)cc1 ZINC000183151106 822431954 /nfs/dbraw/zinc/43/19/54/822431954.db2.gz PTJUADOHUVJSKY-HOTGVXAUSA-N 1 0 380.467 4.306 20 0 GIADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)NCc2ccnc(Oc3ccccc3)c2)C1 ZINC000045997300 822432389 /nfs/dbraw/zinc/43/23/89/822432389.db2.gz OKYJMKAUZGNEKK-LJQANCHMSA-N 1 0 396.535 4.185 20 0 GIADRO CCOc1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000183156890 822432739 /nfs/dbraw/zinc/43/27/39/822432739.db2.gz LQZNKXJMEPLULT-IAGOWNOFSA-N 1 0 392.503 4.257 20 0 GIADRO CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)Nc3ccc(C)c(C)c3)CC2)cc1 ZINC000454146965 822433091 /nfs/dbraw/zinc/43/30/91/822433091.db2.gz XAKCLSLBPBOUDB-UHFFFAOYSA-N 1 0 394.519 4.048 20 0 GIADRO C[S@](=O)C[C@@H]([NH2+]CCCc1ccccc1Br)c1ccccc1 ZINC000183166035 822434360 /nfs/dbraw/zinc/43/43/60/822434360.db2.gz ULJBPKNVEDRTAX-GCJKJVERSA-N 1 0 380.351 4.091 20 0 GIADRO C[C@@H]1CN(C(=O)Nc2ccc(F)c(F)c2F)CC[N@H+](Cc2ccccc2)C1 ZINC000454175490 822435826 /nfs/dbraw/zinc/43/58/26/822435826.db2.gz XNPPICASSZGLOA-AWEZNQCLSA-N 1 0 377.410 4.090 20 0 GIADRO COC(=O)c1oc(C[N@@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)cc1C ZINC000179092144 822437185 /nfs/dbraw/zinc/43/71/85/822437185.db2.gz TVCRHBHYUXRPTN-NSHDSACASA-N 1 0 388.411 4.230 20 0 GIADRO COc1cc(OC)c(OC)cc1C[NH2+][C@H]1CCCOc2cc3c(cc21)CCC3 ZINC000179099578 822438222 /nfs/dbraw/zinc/43/82/22/822438222.db2.gz XDZZFQHNEKSVFK-IBGZPJMESA-N 1 0 383.488 4.205 20 0 GIADRO c1cc(CN2CCC([NH2+][C@@H]3CCCOc4cc5c(cc43)CCC5)CC2)ccn1 ZINC000179102803 822438398 /nfs/dbraw/zinc/43/83/98/822438398.db2.gz MXHOIJFLUILASN-HSZRJFAPSA-N 1 0 377.532 4.038 20 0 GIADRO Cc1noc(C)c1C[N@H+](C)C[C@@H](O)CO[C@@H](c1ccccc1)c1ccccc1C ZINC000046060693 822438486 /nfs/dbraw/zinc/43/84/86/822438486.db2.gz JTQFUXXLCNWZBB-QPPBQGQZSA-N 1 0 394.515 4.199 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[C@@H](C(F)(F)F)C[C@@H]1C ZINC000454202112 822438463 /nfs/dbraw/zinc/43/84/63/822438463.db2.gz BVHVYKDUABHISF-MAUKXSAKSA-N 1 0 385.474 4.401 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)COc1cccc(Cl)c1Cl)c1ccc(Cl)nc1 ZINC000179113178 822439502 /nfs/dbraw/zinc/43/95/02/822439502.db2.gz AHBSPAVALRGLEY-CMPLNLGQSA-N 1 0 375.683 4.132 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)Cc1c(F)cccc1F ZINC000454215834 822439787 /nfs/dbraw/zinc/43/97/87/822439787.db2.gz QWVOOTFGGWFJLR-UHFFFAOYSA-N 1 0 375.463 4.148 20 0 GIADRO O=C(CC[NH+]1CCC(Oc2ccccc2Cl)CC1)Nc1ccccc1F ZINC000179124656 822440841 /nfs/dbraw/zinc/44/08/41/822440841.db2.gz IZPOGSQKTHNAGQ-UHFFFAOYSA-N 1 0 376.859 4.351 20 0 GIADRO O=C(C[N@H+](C[C@@H]1CCOC1)C1CC1)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000046092277 822440917 /nfs/dbraw/zinc/44/09/17/822440917.db2.gz FNKJYRLPTZPCBL-GAJHUEQPSA-N 1 0 398.934 4.047 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)N1CC[C@@H]1c1ccccc1 ZINC000046105441 822441267 /nfs/dbraw/zinc/44/12/67/822441267.db2.gz LOYPNYRSWUETHO-OAQYLSRUSA-N 1 0 381.520 4.064 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)NC1(CF)CCOCC1)C1CCCCC1 ZINC000454230151 822441328 /nfs/dbraw/zinc/44/13/28/822441328.db2.gz QPNDDDXYWYGFKI-UHFFFAOYSA-N 1 0 377.504 4.091 20 0 GIADRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)NCC(C)(C)C(C)(C)O)cc1 ZINC000454230801 822441457 /nfs/dbraw/zinc/44/14/57/822441457.db2.gz RRJYNWIDKNDXOB-UHFFFAOYSA-N 1 0 397.563 4.012 20 0 GIADRO C[NH2+]C1CCN(C(=O)[C@@H](Sc2cc(F)ccc2F)c2ccccc2)CC1 ZINC000179137545 822441953 /nfs/dbraw/zinc/44/19/53/822441953.db2.gz STACXJCTAQXECZ-IBGZPJMESA-N 1 0 376.472 4.009 20 0 GIADRO C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000454238241 822442277 /nfs/dbraw/zinc/44/22/77/822442277.db2.gz MGHPDLKKPZJONV-BPQIPLTHSA-N 1 0 383.458 4.196 20 0 GIADRO CNC(=O)C(C)(C)C[NH2+][C@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21 ZINC000183219269 822443429 /nfs/dbraw/zinc/44/34/29/822443429.db2.gz RECVNRKANMWBBK-AWEZNQCLSA-N 1 0 377.941 4.203 20 0 GIADRO Cc1nc2ccccc2n1CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000046156322 822445566 /nfs/dbraw/zinc/44/55/66/822445566.db2.gz LBWICOPQCNHLGV-QGZVFWFLSA-N 1 0 376.504 4.215 20 0 GIADRO CSc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)cc1 ZINC000179159958 822445615 /nfs/dbraw/zinc/44/56/15/822445615.db2.gz KAJHWHXOBSBJKL-ICSRJNTNSA-N 1 0 388.508 4.074 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCC1)Nc1cccc(-c2ncco2)c1 ZINC000179161317 822445877 /nfs/dbraw/zinc/44/58/77/822445877.db2.gz LIMHETIEAOECID-UHFFFAOYSA-N 1 0 376.460 4.259 20 0 GIADRO O=C(OC[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2F)C1)c1cccc(Cl)n1 ZINC000183236852 822446172 /nfs/dbraw/zinc/44/61/72/822446172.db2.gz BCFDPWHYFOAOOR-CYBMUJFWSA-N 1 0 380.822 4.082 20 0 GIADRO COc1cccc([C@@H]2[C@H](NC(=O)c3cccc(C(F)F)c3)CC[N@@H+]2C2CC2)c1 ZINC000183238511 822446337 /nfs/dbraw/zinc/44/63/37/822446337.db2.gz GTEOVJMWDLVBPH-WOJBJXKFSA-N 1 0 386.442 4.341 20 0 GIADRO Cc1ccc(-c2nc(CC(=O)NC3CC[NH+](Cc4ccccc4)CC3)cs2)o1 ZINC000046195981 822448828 /nfs/dbraw/zinc/44/88/28/822448828.db2.gz BSZJRDYLVQGGSX-UHFFFAOYSA-N 1 0 395.528 4.035 20 0 GIADRO Cc1nc2ccccc2n1CCC[NH2+][C@@H](C)c1ncc(Br)s1 ZINC000179192778 822449132 /nfs/dbraw/zinc/44/91/32/822449132.db2.gz PSXGCAXJMZAFKI-NSHDSACASA-N 1 0 379.327 4.305 20 0 GIADRO C[C@H](CNC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)c1nccs1 ZINC000183257273 822449298 /nfs/dbraw/zinc/44/92/98/822449298.db2.gz KTSXVCTVDSOBGA-QGZVFWFLSA-N 1 0 386.565 4.122 20 0 GIADRO CC1CC[NH+](C2CCC(NC(=O)Nc3cc4c(cc3Cl)OCO4)CC2)CC1 ZINC000179206305 822450987 /nfs/dbraw/zinc/45/09/87/822450987.db2.gz IDIIARRHSUCKFG-UHFFFAOYSA-N 1 0 393.915 4.233 20 0 GIADRO C[C@@H]([NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1)c1ncc(Br)s1 ZINC000179212041 822451839 /nfs/dbraw/zinc/45/18/39/822451839.db2.gz JWBIRLWHIHWLBX-VXGBXAGGSA-N 1 0 384.318 4.222 20 0 GIADRO COc1cccc([C@@H]2[C@H](NC(=O)C(C)(C)c3cccs3)CC[N@@H+]2C2CC2)c1 ZINC000183274757 822452132 /nfs/dbraw/zinc/45/21/32/822452132.db2.gz PECCPJAGGBXFJT-UYAOXDASSA-N 1 0 384.545 4.129 20 0 GIADRO CC1CC[NH+](CCCCNC(=O)c2cccc(Br)c2Cl)CC1 ZINC000183275089 822452175 /nfs/dbraw/zinc/45/21/75/822452175.db2.gz WFEDEGRVOWGOFR-UHFFFAOYSA-N 1 0 387.749 4.344 20 0 GIADRO COc1cccc([C@@H]2[C@@H](NC(=O)c3c(F)cccc3Cl)CC[N@@H+]2C2CC2)c1 ZINC000183279254 822452857 /nfs/dbraw/zinc/45/28/57/822452857.db2.gz HXSUIESXLRIZNR-AZUAARDMSA-N 1 0 388.870 4.196 20 0 GIADRO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3ccccc3-c3nc4ccccc4s3)C[C@@H]21 ZINC000454295315 822453526 /nfs/dbraw/zinc/45/35/26/822453526.db2.gz LRNJQMKMEYRXTN-KDOFPFPSSA-N 1 0 378.501 4.131 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCCN(c2cccc(F)c2)C1)c1ncc(Br)s1 ZINC000179231658 822454736 /nfs/dbraw/zinc/45/47/36/822454736.db2.gz LYXGHBXRQPVNEG-YPMHNXCESA-N 1 0 384.318 4.364 20 0 GIADRO CCCN(C(=O)c1cccs1)C1CC[NH+](Cc2cccc(COC)c2)CC1 ZINC000179233702 822454835 /nfs/dbraw/zinc/45/48/35/822454835.db2.gz NIUCLSOVPAUYQZ-UHFFFAOYSA-N 1 0 386.561 4.411 20 0 GIADRO COCc1cccc(C[N@@H+]2CCC[C@H](CNC(=O)Nc3ccc(C)cc3)C2)c1 ZINC000179235588 822455322 /nfs/dbraw/zinc/45/53/22/822455322.db2.gz PAJWGABVZFSZQW-OAQYLSRUSA-N 1 0 381.520 4.175 20 0 GIADRO COCc1cccc(C[N@@H+]2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)c1 ZINC000179235368 822455366 /nfs/dbraw/zinc/45/53/66/822455366.db2.gz PXDUUZIHSGDOLG-LJQANCHMSA-N 1 0 381.451 4.402 20 0 GIADRO COc1ccc([C@@H](CCO)[NH2+][C@H](C)c2cc(Br)ccc2F)cc1 ZINC000179249647 822457201 /nfs/dbraw/zinc/45/72/01/822457201.db2.gz JAMMGMHKBYLMSV-KZULUSFZSA-N 1 0 382.273 4.371 20 0 GIADRO CC[C@H](NC(=O)NC1CC[NH+](C2CCC2)CC1)c1ccccc1OC(F)F ZINC000454318405 822457399 /nfs/dbraw/zinc/45/73/99/822457399.db2.gz HIFKMSAJCHPTLE-KRWDZBQOSA-N 1 0 381.467 4.055 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CC[C@H](C(F)(F)F)C[C@@H]1C ZINC000454324231 822458038 /nfs/dbraw/zinc/45/80/38/822458038.db2.gz VJJYGQVSBWWVNN-YJBOKZPZSA-N 1 0 385.474 4.399 20 0 GIADRO C[C@@H](C[NH2+][C@H](c1nccn1C)C1CC1)Sc1ccc(Br)cc1 ZINC000183322218 822458961 /nfs/dbraw/zinc/45/89/61/822458961.db2.gz WBINSVABHZGYSX-LRDDRELGSA-N 1 0 380.355 4.404 20 0 GIADRO CCc1nocc1CN(C)C(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000454332804 822459090 /nfs/dbraw/zinc/45/90/90/822459090.db2.gz VZJVUYRXPUPVLR-ROUUACIJSA-N 1 0 398.551 4.057 20 0 GIADRO CS[C@H](C)CC(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000179268813 822459359 /nfs/dbraw/zinc/45/93/59/822459359.db2.gz ZIRMWZKBTRVKBU-CQSZACIVSA-N 1 0 388.499 4.270 20 0 GIADRO C[C@@H]([NH2+]CCOc1c(Cl)cc(Br)cc1Cl)c1cnccn1 ZINC000183330730 822459840 /nfs/dbraw/zinc/45/98/40/822459840.db2.gz UYPXEQQFMGIQFB-SECBINFHSA-N 1 0 391.096 4.276 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc(N2CCOC2=O)cc1 ZINC000183333379 822460308 /nfs/dbraw/zinc/46/03/08/822460308.db2.gz LDLCBMSWYCGWMQ-MAUKXSAKSA-N 1 0 385.895 4.226 20 0 GIADRO Cn1ccnc1[C@@H]([NH2+]Cc1ccc(NC(=O)c2ccc(F)cc2)cc1)C1CC1 ZINC000183340384 822461056 /nfs/dbraw/zinc/46/10/56/822461056.db2.gz YDKPIZSGCHYBFL-FQEVSTJZSA-N 1 0 378.451 4.052 20 0 GIADRO CCn1ccnc1[C@@H](C)NC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000454356296 822461344 /nfs/dbraw/zinc/46/13/44/822461344.db2.gz BFMOLEYSFZWEHO-GOSISDBHSA-N 1 0 397.567 4.228 20 0 GIADRO CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH2+]Cc1ccc(CO)c(F)c1 ZINC000179294455 822461834 /nfs/dbraw/zinc/46/18/34/822461834.db2.gz BFTHDBRVZRVZHU-UHFFFAOYSA-N 1 0 381.495 4.150 20 0 GIADRO CO[C@@H]1CCN(C(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)C[C@@H]1C ZINC000454364353 822462552 /nfs/dbraw/zinc/46/25/52/822462552.db2.gz MRKGKCVCRBEMHF-PGRDOPGGSA-N 1 0 387.568 4.018 20 0 GIADRO CC(C)(C)C(=O)NCC[NH2+]Cc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000179303110 822463096 /nfs/dbraw/zinc/46/30/96/822463096.db2.gz AGQTXEATHJDZED-UHFFFAOYSA-N 1 0 386.348 4.369 20 0 GIADRO CC(C)(C[NH2+]C1CCN(CC(F)(F)F)CC1)c1ccccc1Br ZINC000183365526 822464354 /nfs/dbraw/zinc/46/43/54/822464354.db2.gz UMGTVGCCKFFKRC-UHFFFAOYSA-N 1 0 393.291 4.343 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)N1CCC[C@H](c2nc3ccccc3o2)C1)c1ccsc1 ZINC000046346435 822464409 /nfs/dbraw/zinc/46/44/09/822464409.db2.gz HEFZRVUXLONHBD-MAUKXSAKSA-N 1 0 398.532 4.081 20 0 GIADRO C[C@@H](CNC(=O)N1CCC[C@@H]1c1nc2ccccc2s1)[N@@H+]1CCC[C@@H](C)C1 ZINC000046348672 822464557 /nfs/dbraw/zinc/46/45/57/822464557.db2.gz YZQOFLWQPFDCNE-SOLBZPMBSA-N 1 0 386.565 4.263 20 0 GIADRO C[NH+](C)CCOc1cccc(CN[C@@H](c2ccccc2)c2ccc(F)cn2)c1 ZINC000183368834 822464565 /nfs/dbraw/zinc/46/45/65/822464565.db2.gz SWYGXKIECXFCDD-QHCPKHFHSA-N 1 0 379.479 4.040 20 0 GIADRO CN(Cc1c(F)cccc1F)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000454378546 822465468 /nfs/dbraw/zinc/46/54/68/822465468.db2.gz NKIYYBJQDFHMMJ-UHFFFAOYSA-N 1 0 387.474 4.018 20 0 GIADRO C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000183374235 822465542 /nfs/dbraw/zinc/46/55/42/822465542.db2.gz TYRMHBAWQRHWSM-IHRRRGAJSA-N 1 0 375.856 4.357 20 0 GIADRO Cc1ccc(-c2nc(CC(=O)NCc3cccc(C[NH+]4CCCC4)c3)cs2)o1 ZINC000046375802 822467183 /nfs/dbraw/zinc/46/71/83/822467183.db2.gz UWNHSQMZMKDMQY-UHFFFAOYSA-N 1 0 395.528 4.166 20 0 GIADRO CC1CC[NH+](CC(=O)Nc2ccc(Oc3nncc4ccccc43)cc2)CC1 ZINC000183405852 822469175 /nfs/dbraw/zinc/46/91/75/822469175.db2.gz FIRKYUWFHNZFDA-UHFFFAOYSA-N 1 0 376.460 4.093 20 0 GIADRO CCOc1cccc(NC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000179357792 822470675 /nfs/dbraw/zinc/47/06/75/822470675.db2.gz QJNXSHMNWAJMEB-UHFFFAOYSA-N 1 0 382.508 4.251 20 0 GIADRO CCO[C@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C[C@H]1C ZINC000454415479 822471895 /nfs/dbraw/zinc/47/18/95/822471895.db2.gz ZPHHPKNBBBDLLK-KNQAVFIVSA-N 1 0 387.568 4.019 20 0 GIADRO Cc1cc(N(C)C)ccc1NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000454420932 822472918 /nfs/dbraw/zinc/47/29/18/822472918.db2.gz AWWICHRFUCSVGI-SFHVURJKSA-N 1 0 380.536 4.047 20 0 GIADRO COC(=O)COc1ccccc1[C@H](C)[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000183441140 822475352 /nfs/dbraw/zinc/47/53/52/822475352.db2.gz PGFDODDGNRFCJC-GUYCJALGSA-N 1 0 375.465 4.265 20 0 GIADRO COC(=O)COc1ccccc1[C@@H](C)[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000183441118 822475396 /nfs/dbraw/zinc/47/53/96/822475396.db2.gz PGFDODDGNRFCJC-CXAGYDPISA-N 1 0 375.465 4.265 20 0 GIADRO C[C@@H](C[NH2+][C@H](c1ccccc1)c1ccc(F)cn1)N1CCc2sccc2C1 ZINC000183448616 822476636 /nfs/dbraw/zinc/47/66/36/822476636.db2.gz GDDRMXNULRAIKQ-KSFYIVLOSA-N 1 0 381.520 4.408 20 0 GIADRO C[C@H]([NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1)c1ccccc1O ZINC000183450950 822476787 /nfs/dbraw/zinc/47/67/87/822476787.db2.gz VYVSLRJYKCHLFU-GJZGRUSLSA-N 1 0 375.310 4.332 20 0 GIADRO CN1CC[C@@H](C[NH2+]Cc2cccc3c2OCCO3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179396041 822476828 /nfs/dbraw/zinc/47/68/28/822476828.db2.gz BXXWTBLEAWNUPF-YWZLYKJASA-N 1 0 390.886 4.033 20 0 GIADRO O=C(Nc1ccccc1)C1CC[NH+](C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000179398896 822477110 /nfs/dbraw/zinc/47/71/10/822477110.db2.gz WVDIYDDOOVNVAT-IBGZPJMESA-N 1 0 393.314 4.378 20 0 GIADRO CC[C@@H]([NH2+][C@H](C)c1ccc(OCC(=O)NC2CC2)cc1)c1cc(C)ccc1OC ZINC000179399822 822477331 /nfs/dbraw/zinc/47/73/31/822477331.db2.gz KACPUOSIVIIVGU-VGOFRKELSA-N 1 0 396.531 4.463 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1cc2c(cc1Br)OCCO2)c1ccccc1O ZINC000183458058 822477930 /nfs/dbraw/zinc/47/79/30/822477930.db2.gz RYMQVQDRYOKPAO-RYUDHWBXSA-N 1 0 378.266 4.338 20 0 GIADRO COc1c(C)ccc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)c1C ZINC000454452793 822478143 /nfs/dbraw/zinc/47/81/43/822478143.db2.gz UIVDJVDHBVDCLU-QGZVFWFLSA-N 1 0 381.520 4.298 20 0 GIADRO Cc1ccc(NC(=O)COc2ccc(CC[NH2+][C@H]3CCCSC3)cc2)cc1 ZINC000183460010 822478345 /nfs/dbraw/zinc/47/83/45/822478345.db2.gz JBQUEAVDWUPOFC-FQEVSTJZSA-N 1 0 384.545 4.040 20 0 GIADRO Cc1c([C@H](C)[NH2+]CC(=O)Nc2ccc(Oc3ccccc3Cl)cc2)cnn1C ZINC000183461958 822478778 /nfs/dbraw/zinc/47/87/78/822478778.db2.gz GIGATGDOANPHJO-AWEZNQCLSA-N 1 0 398.894 4.464 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(C)nc1C1CC1)c1cccc(OC)c1 ZINC000454459873 822479012 /nfs/dbraw/zinc/47/90/12/822479012.db2.gz ASNKWNMDLAQKIZ-OAQYLSRUSA-N 1 0 381.520 4.089 20 0 GIADRO COc1ccc(C(=O)C2CC[NH+](Cc3cc(F)cc4cccnc43)CC2)cc1 ZINC000046504044 822479025 /nfs/dbraw/zinc/47/90/25/822479025.db2.gz CCOPBXCEVQRGPA-UHFFFAOYSA-N 1 0 378.447 4.477 20 0 GIADRO Fc1ccc([C@@H](Cn2cnc3ccccc32)[NH2+]Cc2cccc3nccn32)cc1 ZINC000179423404 822480362 /nfs/dbraw/zinc/48/03/62/822480362.db2.gz GHCKWTHPWFOYIK-OAQYLSRUSA-N 1 0 385.446 4.354 20 0 GIADRO CCC[C@H]1C[C@@H](C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CCO1 ZINC000183472390 822480518 /nfs/dbraw/zinc/48/05/18/822480518.db2.gz XHFCNOOFNBOKTJ-PXNSSMCTSA-N 1 0 378.944 4.016 20 0 GIADRO C[C@@H]([NH2+]CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1nc2c(s1)CCCC2 ZINC000179426510 822480777 /nfs/dbraw/zinc/48/07/77/822480777.db2.gz RXRKNUTZFSHOKS-CABCVRRESA-N 1 0 379.570 4.320 20 0 GIADRO COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](Cc4nccn4C)C3)cs2)cc1 ZINC000179430769 822481786 /nfs/dbraw/zinc/48/17/86/822481786.db2.gz ZENIXYYRJAMBNP-INIZCTEOSA-N 1 0 382.533 4.007 20 0 GIADRO O=C(C[C@H]1CCCc2ccccc21)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC000179433507 822482013 /nfs/dbraw/zinc/48/20/13/822482013.db2.gz JCZVTHUKYKMENP-LJQANCHMSA-N 1 0 378.516 4.092 20 0 GIADRO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3cc(F)c(OC(C)(C)C)c(F)c3)CC[C@@H]21 ZINC000183479599 822482328 /nfs/dbraw/zinc/48/23/28/822482328.db2.gz KDZXPPGHGMBLOH-GUYCJALGSA-N 1 0 381.467 4.090 20 0 GIADRO CCC[C@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000183480446 822482606 /nfs/dbraw/zinc/48/26/06/822482606.db2.gz PHAWLFDPUFOPKD-UWJYYQICSA-N 1 0 381.520 4.450 20 0 GIADRO CC[C@@H](C)n1ncc(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)c1C1CC1 ZINC000179437545 822482695 /nfs/dbraw/zinc/48/26/95/822482695.db2.gz LCRVILUITVRHRA-GOSISDBHSA-N 1 0 394.563 4.374 20 0 GIADRO Cc1ccc(NC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1OC(F)F ZINC000183483669 822483147 /nfs/dbraw/zinc/48/31/47/822483147.db2.gz QDGIWSRDOIHOMZ-CABCVRRESA-N 1 0 381.467 4.371 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1 ZINC000183490129 822484606 /nfs/dbraw/zinc/48/46/06/822484606.db2.gz AWZCYIROFUPHOQ-CABCVRRESA-N 1 0 381.467 4.233 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)c1nccs1 ZINC000179448699 822484725 /nfs/dbraw/zinc/48/47/25/822484725.db2.gz XPBIFTXXIRNECU-KOLCDFICSA-N 1 0 376.835 4.140 20 0 GIADRO Cc1cc2ncc([C@@H](C)[NH2+]CCc3coc(-c4ccc(F)cc4)n3)c(C)n2n1 ZINC000179456162 822485698 /nfs/dbraw/zinc/48/56/98/822485698.db2.gz GKJWKPAVWMJLGV-CQSZACIVSA-N 1 0 379.439 4.034 20 0 GIADRO CC[C@@H]([NH2+][C@@H]1CCCc2ccc(F)cc21)c1ccccc1OCC(=O)N(C)C ZINC000179467256 822486965 /nfs/dbraw/zinc/48/69/65/822486965.db2.gz YYJNCWRHXDREPB-NHCUHLMSSA-N 1 0 384.495 4.411 20 0 GIADRO CCOc1cc(C[N@@H+]2CCC[C@@H](n3cncn3)C2)ccc1OCc1ccccc1 ZINC000179467527 822487000 /nfs/dbraw/zinc/48/70/00/822487000.db2.gz JNVLCHYBLLIYMC-OAQYLSRUSA-N 1 0 392.503 4.093 20 0 GIADRO C[NH+](C)Cc1cc(CNC(=O)N2CCC[C@@H]2c2ccc(F)cc2F)ccc1F ZINC000454508794 822487144 /nfs/dbraw/zinc/48/71/44/822487144.db2.gz DZMWFVQNHOFTGW-HXUWFJFHSA-N 1 0 391.437 4.212 20 0 GIADRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C[C@H](O)c2ccc3ccccc3c2)CC1 ZINC000183505314 822487378 /nfs/dbraw/zinc/48/73/78/822487378.db2.gz DRISONXJVDYEEC-RTWAWAEBSA-N 1 0 384.520 4.252 20 0 GIADRO C[C@@H](NC(=O)Nc1ccc2nc(C3CC3)oc2c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183511738 822488144 /nfs/dbraw/zinc/48/81/44/822488144.db2.gz MEHIJXVRISJPPB-GDBMZVCRSA-N 1 0 382.508 4.480 20 0 GIADRO COCc1cc([C@@H](C)[NH2+]C[C@H](C)c2nc(-c3ccccc3)no2)ccc1OC ZINC000179479091 822488505 /nfs/dbraw/zinc/48/85/05/822488505.db2.gz USVBDTXDWOLOFI-JKSUJKDBSA-N 1 0 381.476 4.346 20 0 GIADRO Cc1ccc(NC(=O)C(C)C)cc1NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179478839 822488590 /nfs/dbraw/zinc/48/85/90/822488590.db2.gz WVNKINULSLMAMU-TZIWHRDSSA-N 1 0 394.519 4.156 20 0 GIADRO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1cccc(Br)c1 ZINC000179495402 822490904 /nfs/dbraw/zinc/49/09/04/822490904.db2.gz FTMJRMCSBIZPEK-WBVHZDCISA-N 1 0 387.321 4.148 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CC2(c3ccc(F)cc3F)CC2)cc1 ZINC000179497667 822491377 /nfs/dbraw/zinc/49/13/77/822491377.db2.gz DLZCSIXPLRUIKU-CQSZACIVSA-N 1 0 394.487 4.109 20 0 GIADRO COc1cc([C@H](C)[NH2+]CC2(c3ccc(F)cc3F)CC2)cc(OC)c1OC ZINC000179498220 822491635 /nfs/dbraw/zinc/49/16/35/822491635.db2.gz JAYNYRSOTIXYRB-ZDUSSCGKSA-N 1 0 377.431 4.373 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1cccc(-n2cccn2)c1 ZINC000183539337 822491938 /nfs/dbraw/zinc/49/19/38/822491938.db2.gz RQLRCBJCIFZJTA-IEBWSBKVSA-N 1 0 384.524 4.313 20 0 GIADRO C[C@H]([NH2+][C@H]1CCCN(c2ccccc2F)C1)c1cccc(N2CCOC2=O)c1 ZINC000179500688 822492300 /nfs/dbraw/zinc/49/23/00/822492300.db2.gz LVBXWTAJQNPOJP-WMZOPIPTSA-N 1 0 383.467 4.102 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[NH2+]C1(c2ccccc2)CCCC1 ZINC000183542934 822492419 /nfs/dbraw/zinc/49/24/19/822492419.db2.gz AXFDZRFFKMIEBZ-UHFFFAOYSA-N 1 0 388.515 4.487 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@@H]2CCCCC2(F)F)CC1 ZINC000454534069 822492626 /nfs/dbraw/zinc/49/26/26/822492626.db2.gz ZYKNSLKTOQKESF-WMZOPIPTSA-N 1 0 379.495 4.337 20 0 GIADRO Fc1ccc([C@@H](NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c2ccccc2)nc1 ZINC000183550514 822493652 /nfs/dbraw/zinc/49/36/52/822493652.db2.gz PWFXHJWNBVPAMV-OFVILXPXSA-N 1 0 389.518 4.464 20 0 GIADRO COc1ccccc1OC[C@H](C)C[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000179513206 822494131 /nfs/dbraw/zinc/49/41/31/822494131.db2.gz LMXLIWGTTSXNAP-SJORKVTESA-N 1 0 397.519 4.345 20 0 GIADRO Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000183556149 822494372 /nfs/dbraw/zinc/49/43/72/822494372.db2.gz NWGKIPZJAJUXQX-RTWAWAEBSA-N 1 0 395.551 4.019 20 0 GIADRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)c3cc4ccccc4s3)cc2)C[C@@H](C)O1 ZINC000046623075 822494453 /nfs/dbraw/zinc/49/44/53/822494453.db2.gz DYWMZJHFXXEGTB-IAGOWNOFSA-N 1 0 394.540 4.441 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)Nc1ccccc1CN1CCc2ccccc21 ZINC000454544127 822494527 /nfs/dbraw/zinc/49/45/27/822494527.db2.gz VCEWGOSWQIAZSB-UHFFFAOYSA-N 1 0 394.563 4.491 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1noc(-c2ccccc2)n1 ZINC000183562789 822495014 /nfs/dbraw/zinc/49/50/14/822495014.db2.gz CCIRVRYTHQFHBL-DOTOQJQBSA-N 1 0 386.496 4.177 20 0 GIADRO C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H](C)c1cccc(-c2ccncc2)c1 ZINC000179516955 822495079 /nfs/dbraw/zinc/49/50/79/822495079.db2.gz BNPFTRUEYFWKFD-ROUUACIJSA-N 1 0 384.483 4.198 20 0 GIADRO C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H](C)c1cc(Cl)ccc1Cl ZINC000179517379 822495274 /nfs/dbraw/zinc/49/52/74/822495274.db2.gz RRGSYYOFISCPNU-STQMWFEESA-N 1 0 376.287 4.443 20 0 GIADRO C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H](C)c1ccccc1OC(F)(F)F ZINC000179517701 822495516 /nfs/dbraw/zinc/49/55/16/822495516.db2.gz AJSQZMKJOQRLBQ-KBPBESRZSA-N 1 0 391.393 4.034 20 0 GIADRO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@H](C)c1cccc(Cl)c1Cl ZINC000179517578 822495563 /nfs/dbraw/zinc/49/55/63/822495563.db2.gz JHOWCGZKBHFPPX-CHWSQXEVSA-N 1 0 376.287 4.443 20 0 GIADRO C[C@H]([NH2+]C1CCN(Cc2ccc(Br)cc2)CC1)c1ccccc1O ZINC000183565868 822495556 /nfs/dbraw/zinc/49/55/56/822495556.db2.gz PVRRGKJLXFOWCS-HNNXBMFYSA-N 1 0 389.337 4.470 20 0 GIADRO COc1ccc2cc([C@@H](C)[NH2+][C@H](C)Cn3ncc4ccccc4c3=O)ccc2c1 ZINC000179517924 822495612 /nfs/dbraw/zinc/49/56/12/822495612.db2.gz PCBMWZIHPAVGHL-IAGOWNOFSA-N 1 0 387.483 4.298 20 0 GIADRO COc1cc([C@@H](C)[NH2+]CC2(c3ccccc3Cl)CC2)ccc1S(C)(=O)=O ZINC000179519262 822495775 /nfs/dbraw/zinc/49/57/75/822495775.db2.gz DAUDFPLYZLBFGD-CQSZACIVSA-N 1 0 393.936 4.135 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1c(Cl)cccc1Cl)c1cccc(-n2cccn2)c1 ZINC000183578162 822496971 /nfs/dbraw/zinc/49/69/71/822496971.db2.gz APGCQDWSEHGXDB-ZDUSSCGKSA-N 1 0 389.286 4.468 20 0 GIADRO Cc1c2ccccc2oc1[C@@H](C)[NH2+]CC(=O)Nc1ccccc1C(=O)NC(C)C ZINC000183579454 822497180 /nfs/dbraw/zinc/49/71/80/822497180.db2.gz OKAJAUGNGYTEHZ-MRXNPFEDSA-N 1 0 393.487 4.169 20 0 GIADRO CC[C@@H]([NH2+]Cc1ccc(Br)cc1C(F)(F)F)c1cnn(C)c1 ZINC000179527188 822497331 /nfs/dbraw/zinc/49/73/31/822497331.db2.gz DXYNIKXWQWGDEJ-CQSZACIVSA-N 1 0 376.220 4.442 20 0 GIADRO CCn1nc(C)c(NC(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)c1C ZINC000179530800 822497988 /nfs/dbraw/zinc/49/79/88/822497988.db2.gz WPTSTKBWDFBQOL-IAGOWNOFSA-N 1 0 397.567 4.319 20 0 GIADRO Cc1c2ccccc2oc1[C@H](C)[NH2+]CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000183589280 822498294 /nfs/dbraw/zinc/49/82/94/822498294.db2.gz XYKWODUODMJKKS-INIZCTEOSA-N 1 0 387.501 4.264 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1Cl)c1cccc(-n2cccn2)c1 ZINC000183594811 822498950 /nfs/dbraw/zinc/49/89/50/822498950.db2.gz OPICYUVOPMSVOB-ZDUSSCGKSA-N 1 0 389.286 4.468 20 0 GIADRO C[C@@H](NC(=O)C[NH2+][C@H](C)c1cccc(-n2cccn2)c1)c1ccccc1Cl ZINC000183602906 822499943 /nfs/dbraw/zinc/49/99/43/822499943.db2.gz KQORGZPLEBNOIW-HZPDHXFCSA-N 1 0 382.895 4.054 20 0 GIADRO CC(C)[C@H]([NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1nc(C2CC2)no1 ZINC000183604930 822500145 /nfs/dbraw/zinc/50/01/45/822500145.db2.gz OKUPPAGSWUCFIG-HOTGVXAUSA-N 1 0 378.517 4.023 20 0 GIADRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2oc3ccccc3c2C)cc1OC ZINC000183607273 822500381 /nfs/dbraw/zinc/50/03/81/822500381.db2.gz HDJYHFFBHYXMFK-LSDHHAIUSA-N 1 0 382.460 4.436 20 0 GIADRO COc1ccccc1N1CCC([NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)CC1 ZINC000179545994 822500883 /nfs/dbraw/zinc/50/08/83/822500883.db2.gz MCRCOLQDIVIWRD-UHFFFAOYSA-N 1 0 388.552 4.154 20 0 GIADRO COc1c(Cl)cccc1NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000454585192 822501325 /nfs/dbraw/zinc/50/13/25/822501325.db2.gz JFQVYMSSRZYMFB-UHFFFAOYSA-N 1 0 393.837 4.229 20 0 GIADRO Cc1nc(Cc2ccc(F)cc2)sc1C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000046670326 822501523 /nfs/dbraw/zinc/50/15/23/822501523.db2.gz PCABCFLWQUNIJJ-UHFFFAOYSA-N 1 0 389.540 4.033 20 0 GIADRO CC1CC[NH+]([C@H](CNC(=O)c2ccn(-c3ccccc3)n2)c2cccs2)CC1 ZINC000046672968 822502320 /nfs/dbraw/zinc/50/23/20/822502320.db2.gz SGQGGTFFASQDPB-HXUWFJFHSA-N 1 0 394.544 4.137 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)N(C)Cc2c(F)cccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000454591400 822502520 /nfs/dbraw/zinc/50/25/20/822502520.db2.gz KDKGKQHCKHYPMT-SJLPKXTDSA-N 1 0 387.474 4.159 20 0 GIADRO COc1ccc(OC)c(NC(=O)[C@@H](C)[NH2+][C@H](C)c2oc3ccccc3c2C)c1 ZINC000183624752 822502741 /nfs/dbraw/zinc/50/27/41/822502741.db2.gz DDNQXRUIQQYDNV-HUUCEWRRSA-N 1 0 382.460 4.436 20 0 GIADRO Cc1nc2c(s1)[C@H]([NH2+][C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1)CCC2 ZINC000179555202 822502780 /nfs/dbraw/zinc/50/27/80/822502780.db2.gz MAIRJMRVKGLRSE-CEXWTWQISA-N 1 0 391.968 4.144 20 0 GIADRO COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H](C)c2cccc(F)c2F)c(OC)c1 ZINC000179558502 822503529 /nfs/dbraw/zinc/50/35/29/822503529.db2.gz HRXLUWNAYWRQLQ-OLZOCXBDSA-N 1 0 378.419 4.050 20 0 GIADRO COc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000179577138 822506030 /nfs/dbraw/zinc/50/60/30/822506030.db2.gz FIIWJPKJAZYBAW-KKUMJFAQSA-N 1 0 392.446 4.213 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000454615127 822506551 /nfs/dbraw/zinc/50/65/51/822506551.db2.gz LKGRKYFANGFHKU-KAGYGMCKSA-N 1 0 393.531 4.427 20 0 GIADRO CC(C)([NH2+]CC(=O)N[C@@H](c1nccs1)c1ccccc1)c1cccc(F)c1 ZINC000179582845 822506716 /nfs/dbraw/zinc/50/67/16/822506716.db2.gz WMPPDDKJNBIOQS-LJQANCHMSA-N 1 0 383.492 4.013 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@@H]1CSc2ccccc21 ZINC000454619262 822507580 /nfs/dbraw/zinc/50/75/80/822507580.db2.gz NZJSBOVJZLKDOL-YFVAEKQCSA-N 1 0 395.572 4.086 20 0 GIADRO CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+][C@@H](C)c2ccc(Cl)cc2)C1 ZINC000183667538 822508209 /nfs/dbraw/zinc/50/82/09/822508209.db2.gz POJHKSFXUVQICD-AWEZNQCLSA-N 1 0 381.900 4.043 20 0 GIADRO CN(Cc1ccccc1)c1ccccc1NC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000454623117 822508179 /nfs/dbraw/zinc/50/81/79/822508179.db2.gz CDAJAOPQTCAMCU-XMMPIXPASA-N 1 0 392.547 4.273 20 0 GIADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000179589929 822508219 /nfs/dbraw/zinc/50/82/19/822508219.db2.gz BBXLXTDEZHWGCN-QMTHXVAHSA-N 1 0 394.210 4.457 20 0 GIADRO C[C@@H]1C[C@H](c2cccnc2)N(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000183666046 822508218 /nfs/dbraw/zinc/50/82/18/822508218.db2.gz JLVHVMJQJIPKME-DAVBRLECSA-N 1 0 392.547 4.227 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)[NH2+]C[C@@H](O)COCc2ccccc2Cl)cc1 ZINC000183674367 822509446 /nfs/dbraw/zinc/50/94/46/822509446.db2.gz YIXABKJHKBSKEN-HRAATJIYSA-N 1 0 399.922 4.062 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)[NH2+]C[C@H](O)COCc2ccccc2Cl)cc1 ZINC000183674327 822509461 /nfs/dbraw/zinc/50/94/61/822509461.db2.gz YIXABKJHKBSKEN-KKSFZXQISA-N 1 0 399.922 4.062 20 0 GIADRO CC(C)(C)c1cc(C[NH+]2CCC(NC(=O)C3CC3)CC2)c(O)c(C(C)(C)C)c1 ZINC000046719730 822509524 /nfs/dbraw/zinc/50/95/24/822509524.db2.gz GXHZJOJXKPFYGL-UHFFFAOYSA-N 1 0 386.580 4.478 20 0 GIADRO NC(=O)N1CCC([NH2+]CC2(c3ccc(Cl)cc3Cl)CCCCC2)CC1 ZINC000179596929 822509584 /nfs/dbraw/zinc/50/95/84/822509584.db2.gz CXTPNIAPPRTXAA-UHFFFAOYSA-N 1 0 384.351 4.328 20 0 GIADRO COc1ccc2c(C[NH2+][C@@H](C)c3ccc(-n4ccnc4C)cc3)cc(=O)oc2c1 ZINC000183676074 822509578 /nfs/dbraw/zinc/50/95/78/822509578.db2.gz HYXYWGFMERODSR-HNNXBMFYSA-N 1 0 389.455 4.147 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)cc1 ZINC000046722300 822509720 /nfs/dbraw/zinc/50/97/20/822509720.db2.gz IQDXDRIYVPVXOH-UHFFFAOYSA-N 1 0 399.491 4.226 20 0 GIADRO CC(=O)c1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000179598139 822509862 /nfs/dbraw/zinc/50/98/62/822509862.db2.gz FXTLHOURNJKSNG-STQMWFEESA-N 1 0 376.403 4.168 20 0 GIADRO CC(C)C[C@@H]([NH2+][C@@H](C)c1cnn(Cc2ccccc2)c1)C(=O)Nc1nccs1 ZINC000179599441 822509964 /nfs/dbraw/zinc/50/99/64/822509964.db2.gz ULQOSZJIEHKGMC-QFBILLFUSA-N 1 0 397.548 4.092 20 0 GIADRO CC(C)C[C@@H]([NH2+][C@H](C)c1ccc2c(c1)OCCCO2)C(=O)Nc1nccs1 ZINC000179599695 822510206 /nfs/dbraw/zinc/51/02/06/822510206.db2.gz QAOLQYFSJDUIKE-GDBMZVCRSA-N 1 0 389.521 4.008 20 0 GIADRO CC(C)C[C@@H]([NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1)C(=O)Nc1nccs1 ZINC000179600390 822510499 /nfs/dbraw/zinc/51/04/99/822510499.db2.gz FANJEBVRFNAPCQ-MAUKXSAKSA-N 1 0 383.521 4.033 20 0 GIADRO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)cc1Cl ZINC000179602885 822510887 /nfs/dbraw/zinc/51/08/87/822510887.db2.gz BQYZILLXPVWSMM-NSHDSACASA-N 1 0 384.810 4.239 20 0 GIADRO CC(=O)c1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000183689630 822511758 /nfs/dbraw/zinc/51/17/58/822511758.db2.gz GGJFNYRNSHKPPP-JKSUJKDBSA-N 1 0 390.487 4.061 20 0 GIADRO CCOCc1cccc(NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000454654194 822512709 /nfs/dbraw/zinc/51/27/09/822512709.db2.gz BPFYUSUJZCTFTI-UHFFFAOYSA-N 1 0 387.446 4.104 20 0 GIADRO C[C@H](c1ccncc1)[N@H+](C)Cc1cc(Br)c2c(c1)OCCCO2 ZINC000183712345 822515332 /nfs/dbraw/zinc/51/53/32/822515332.db2.gz FKZVGAZXNYPSBP-CYBMUJFWSA-N 1 0 377.282 4.198 20 0 GIADRO C[NH+](C)CCCOc1cccc(NC2CCC(NC(=O)OC(C)(C)C)CC2)c1 ZINC000179627700 822515375 /nfs/dbraw/zinc/51/53/75/822515375.db2.gz WAOPAWBPSNMANC-UHFFFAOYSA-N 1 0 391.556 4.265 20 0 GIADRO COc1cc(C)c([C@@H](C)[NH2+]CC(=O)Nc2sc(C)c(C)c2C)cc1OC ZINC000179634097 822516806 /nfs/dbraw/zinc/51/68/06/822516806.db2.gz FSBUNCUYOMTWQX-CQSZACIVSA-N 1 0 376.522 4.288 20 0 GIADRO CCOc1cc(C[N@H+](C)[C@@H](C)c2cccnc2)cc(Br)c1OC ZINC000183723128 822516891 /nfs/dbraw/zinc/51/68/91/822516891.db2.gz CDUPDMNLGOEOIM-ZDUSSCGKSA-N 1 0 379.298 4.444 20 0 GIADRO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000183725472 822517246 /nfs/dbraw/zinc/51/72/46/822517246.db2.gz SPCYBJWUJBFKRY-NHYWBVRUSA-N 1 0 393.409 4.024 20 0 GIADRO COc1cccc(CCC(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)c1 ZINC000046790081 822517437 /nfs/dbraw/zinc/51/74/37/822517437.db2.gz UFWJQMITWLYSAD-LJQANCHMSA-N 1 0 380.532 4.319 20 0 GIADRO Cc1cccc([C@H](C)[NH2+]CC(=O)Nc2cc3c(cc2Cl)OCCCO3)c1C ZINC000183726155 822517538 /nfs/dbraw/zinc/51/75/38/822517538.db2.gz CUGUTWSZWNRSMN-HNNXBMFYSA-N 1 0 388.895 4.407 20 0 GIADRO Cc1nn(-c2ccccc2)cc1NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000183732759 822518089 /nfs/dbraw/zinc/51/80/89/822518089.db2.gz LDGSBKJGIHMXTF-UHFFFAOYSA-N 1 0 389.503 4.098 20 0 GIADRO Cc1cc(OCc2cccc(Cl)c2)ccc1NC(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000454697925 822518925 /nfs/dbraw/zinc/51/89/25/822518925.db2.gz KDANYYWPQRWYNR-KRWDZBQOSA-N 1 0 387.911 4.301 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(N2CCOC2=O)cc1)c1ccc(F)cc1OC(F)F ZINC000183739157 822519668 /nfs/dbraw/zinc/51/96/68/822519668.db2.gz PZCWWGXUFOZZRI-LBPRGKRZSA-N 1 0 380.366 4.235 20 0 GIADRO CCC(CC)n1nc(C(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)cc1C ZINC000179653089 822520596 /nfs/dbraw/zinc/52/05/96/822520596.db2.gz NEWFZZKHRMUOOR-UHFFFAOYSA-N 1 0 381.524 4.321 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1)C(=O)Nc1cccnc1Cl ZINC000046818027 822520908 /nfs/dbraw/zinc/52/09/08/822520908.db2.gz YRHWCYOJEMQAPL-WDEREUQCSA-N 1 0 387.789 4.311 20 0 GIADRO CCc1nocc1CN(C)C(=O)NCC1(CC)CC[NH+](Cc2ccccc2)CC1 ZINC000454709347 822521506 /nfs/dbraw/zinc/52/15/06/822521506.db2.gz HPCCZRILCGWGJL-UHFFFAOYSA-N 1 0 398.551 4.071 20 0 GIADRO Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+](C)CCc1ccncc1 ZINC000183753531 822522647 /nfs/dbraw/zinc/52/26/47/822522647.db2.gz ZEULVWXUVDFIMF-UHFFFAOYSA-N 1 0 385.309 4.013 20 0 GIADRO CC(C)Oc1cccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(N3CCCC3)cc2)c1 ZINC000179663924 822522715 /nfs/dbraw/zinc/52/27/15/822522715.db2.gz GZRWUCJIVVNIBZ-GOSISDBHSA-N 1 0 381.520 4.363 20 0 GIADRO CCC(CC)n1nc(C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)cc1C ZINC000179667207 822523369 /nfs/dbraw/zinc/52/33/69/822523369.db2.gz IUSDJBUFNQTXLO-LJQANCHMSA-N 1 0 382.552 4.289 20 0 GIADRO CC(C)Oc1cccc([C@@H](C)[NH2+]Cc2ccc(S(=O)(=O)C(F)F)cc2)c1 ZINC000179667373 822523407 /nfs/dbraw/zinc/52/34/07/822523407.db2.gz QUZCYDLAAZYEAN-CQSZACIVSA-N 1 0 383.460 4.321 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)Nc2cc(NC(=O)C3CC3)ccc2C)cc1 ZINC000046845637 822523760 /nfs/dbraw/zinc/52/37/60/822523760.db2.gz VVWVMUYALDHLLS-UHFFFAOYSA-N 1 0 379.504 4.438 20 0 GIADRO COc1cc(NC(=O)C[NH2+]C2(c3cccc(Cl)c3)CC2)c(OC)cc1Cl ZINC000179670318 822523824 /nfs/dbraw/zinc/52/38/24/822523824.db2.gz ZSGCNBVAPXXTEX-UHFFFAOYSA-N 1 0 395.286 4.228 20 0 GIADRO Fc1cc([C@H]2OCC[C@@H]2[NH2+]Cc2cncc(Br)c2)ccc1Cl ZINC000183761434 822524019 /nfs/dbraw/zinc/52/40/19/822524019.db2.gz BQABWGZVJHQOGJ-JKSUJKDBSA-N 1 0 385.664 4.256 20 0 GIADRO O=C(C[NH2+]C1(c2cccc(Cl)c2)CC1)N(Cc1ccco1)CC(F)(F)F ZINC000179678090 822525081 /nfs/dbraw/zinc/52/50/81/822525081.db2.gz WDOAMTHJPPMXTF-UHFFFAOYSA-N 1 0 386.801 4.103 20 0 GIADRO COc1cccc([C@@H]2[C@H](NC(=O)Nc3cc(F)ccc3F)CC[N@@H+]2C2CC2)c1 ZINC000183767846 822525513 /nfs/dbraw/zinc/52/55/13/822525513.db2.gz LQUJTLFTKURFEH-UYAOXDASSA-N 1 0 387.430 4.073 20 0 GIADRO Cc1cc(CNC(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)ccc1Cl ZINC000183777432 822526915 /nfs/dbraw/zinc/52/69/15/822526915.db2.gz QLQWDOIXYNJBST-MRXNPFEDSA-N 1 0 386.927 4.068 20 0 GIADRO Cc1cc(CNC(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)ccc1Cl ZINC000183777418 822527006 /nfs/dbraw/zinc/52/70/06/822527006.db2.gz QLQWDOIXYNJBST-INIZCTEOSA-N 1 0 386.927 4.068 20 0 GIADRO Cc1ccccc1NC(=O)C[NH2+][C@@H](C)c1cccc(OCc2ccccn2)c1 ZINC000179686690 822527132 /nfs/dbraw/zinc/52/71/32/822527132.db2.gz UNYLKNZRCWYOLZ-SFHVURJKSA-N 1 0 375.472 4.258 20 0 GIADRO Cc1ccccc1NC(=O)C[NH2+][C@H](C)c1cccc(OCc2ccccn2)c1 ZINC000179686702 822527207 /nfs/dbraw/zinc/52/72/07/822527207.db2.gz UNYLKNZRCWYOLZ-GOSISDBHSA-N 1 0 375.472 4.258 20 0 GIADRO C[C@@H]([NH2+]CC(=O)NC1CCC(C)CC1)c1cccc(OCc2ccccn2)c1 ZINC000179688604 822527834 /nfs/dbraw/zinc/52/78/34/822527834.db2.gz IDCGJMQBTHMOLX-QPIRBTGLSA-N 1 0 381.520 4.006 20 0 GIADRO Cc1cc2c(cc1NC(=O)N1CCC(C[N@@H+](C)Cc3ccccc3)CC1)OCO2 ZINC000183787238 822528280 /nfs/dbraw/zinc/52/82/80/822528280.db2.gz YXOZKQGHSAZARX-UHFFFAOYSA-N 1 0 395.503 4.100 20 0 GIADRO C[C@H]([NH2+]CC(=O)N[C@@H]1CCCC[C@H]1C)c1cccc(OCc2ccccn2)c1 ZINC000179692611 822528427 /nfs/dbraw/zinc/52/84/27/822528427.db2.gz WUBWFCDUNJWIKJ-KGVIQGDOSA-N 1 0 381.520 4.006 20 0 GIADRO Cc1ccccc1OC[C@@H](O)C[NH2+][C@@H](C)c1cccc(OCc2ccccn2)c1 ZINC000179692713 822528660 /nfs/dbraw/zinc/52/86/60/822528660.db2.gz RTXCIKFIIMAZLT-UGKGYDQZSA-N 1 0 392.499 4.060 20 0 GIADRO C[C@@H](NC(=O)N(C)Cc1c(F)cccc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000454763695 822529765 /nfs/dbraw/zinc/52/97/65/822529765.db2.gz HGEQJNMVHVCZJB-SJLPKXTDSA-N 1 0 387.474 4.017 20 0 GIADRO CC[NH+](CC)CCOc1ccc(C(=O)Nc2c[nH]nc2-c2ccccc2)cc1 ZINC000179700564 822530424 /nfs/dbraw/zinc/53/04/24/822530424.db2.gz PCQXJPSTLCHNAS-UHFFFAOYSA-N 1 0 378.476 4.050 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1ccc(NC(N)=O)cc1 ZINC000183809308 822530649 /nfs/dbraw/zinc/53/06/49/822530649.db2.gz ZWDOHOBFZHRJEC-VKJFTORMSA-N 1 0 390.528 4.006 20 0 GIADRO COc1cc([C@H](C)[NH2+]CCn2c(C)csc2=O)ccc1OCc1ccccc1 ZINC000179709678 822532411 /nfs/dbraw/zinc/53/24/11/822532411.db2.gz FOBSDKPBHFEGJC-KRWDZBQOSA-N 1 0 398.528 4.157 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccc4c(c3)CCC(=O)N4)cc2)C1 ZINC000046934557 822532496 /nfs/dbraw/zinc/53/24/96/822532496.db2.gz ULGVEVZXTBOWDO-INIZCTEOSA-N 1 0 377.488 4.056 20 0 GIADRO COc1ccc(C(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c(OC)c1OC ZINC000046934309 822532575 /nfs/dbraw/zinc/53/25/75/822532575.db2.gz XKCJFMIPIGNSFF-INIZCTEOSA-N 1 0 398.503 4.197 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccc4c(c3)CCC(=O)N4)cc2)C1 ZINC000046934556 822532673 /nfs/dbraw/zinc/53/26/73/822532673.db2.gz ULGVEVZXTBOWDO-MRXNPFEDSA-N 1 0 377.488 4.056 20 0 GIADRO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000183825480 822532793 /nfs/dbraw/zinc/53/27/93/822532793.db2.gz LEXULFPHCJIAPR-QUCCMNQESA-N 1 0 394.515 4.156 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3ccccc3SCC#N)cc2)C1 ZINC000046935389 822532846 /nfs/dbraw/zinc/53/28/46/822532846.db2.gz RMZQEJAAGCAOGH-GOSISDBHSA-N 1 0 393.556 4.464 20 0 GIADRO CCC(CC)n1nc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1C ZINC000179713275 822533110 /nfs/dbraw/zinc/53/31/10/822533110.db2.gz DPOJJSXLTIABLZ-XLIONFOSSA-N 1 0 382.552 4.336 20 0 GIADRO CC(C)(C)OC(=O)N[C@@H](C[NH2+][C@H](c1ccccc1)c1ccc(F)cn1)C1CC1 ZINC000183827651 822533099 /nfs/dbraw/zinc/53/30/99/822533099.db2.gz RHAOGXUYYCSJPX-VQTJNVASSA-N 1 0 385.483 4.203 20 0 GIADRO Cc1noc(C)c1COc1cccc(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)c1 ZINC000046948980 822533567 /nfs/dbraw/zinc/53/35/67/822533567.db2.gz GAMDASGOLRGVTN-QFIPXVFZSA-N 1 0 399.535 4.111 20 0 GIADRO Cc1cc(CSc2ccccc2C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)on1 ZINC000046952434 822533669 /nfs/dbraw/zinc/53/36/69/822533669.db2.gz SEMDJHFYZIVGBS-DOTOQJQBSA-N 1 0 387.549 4.126 20 0 GIADRO Cc1cnn(Cc2ccccc2F)c1NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000183837694 822534141 /nfs/dbraw/zinc/53/41/41/822534141.db2.gz LWHDJMFWAYWVBX-UHFFFAOYSA-N 1 0 392.478 4.227 20 0 GIADRO CC[C@H]([NH2+][C@H](C)C(=O)N1CCc2sccc2C1)c1ccccc1OC(F)F ZINC000179724875 822535733 /nfs/dbraw/zinc/53/57/33/822535733.db2.gz ZNKVUPCAJDCRQG-CJNGLKHVSA-N 1 0 394.487 4.364 20 0 GIADRO Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000046989765 822535984 /nfs/dbraw/zinc/53/59/84/822535984.db2.gz PGKJQVSMVAWMQG-MRXNPFEDSA-N 1 0 393.597 4.426 20 0 GIADRO Cc1noc(C)c1COc1ccccc1C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000046988568 822536024 /nfs/dbraw/zinc/53/60/24/822536024.db2.gz OFRPQPBUXJWBCZ-KRWDZBQOSA-N 1 0 399.535 4.255 20 0 GIADRO Cc1nc(-c2cccc(NC(=O)C[NH2+][C@@H](CCCO)c3ccccc3)c2)cs1 ZINC000179728442 822536419 /nfs/dbraw/zinc/53/64/19/822536419.db2.gz ZYSGQKMBWFPBKK-FQEVSTJZSA-N 1 0 395.528 4.160 20 0 GIADRO C[C@H](NC(=O)C[NH2+][C@@H](CCCO)c1ccccc1)c1ccc(Cl)cc1Cl ZINC000179732930 822537756 /nfs/dbraw/zinc/53/77/56/822537756.db2.gz JVTAOKMCOMALTD-LIRRHRJNSA-N 1 0 395.330 4.274 20 0 GIADRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)CCC(=O)c2ccc(Cl)cc2)C1 ZINC000047037986 822539192 /nfs/dbraw/zinc/53/91/92/822539192.db2.gz AEGBRMKTFBXOFV-IRXDYDNUSA-N 1 0 378.944 4.177 20 0 GIADRO Cc1cccc(Cl)c1NC(=O)C[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179741021 822540295 /nfs/dbraw/zinc/54/02/95/822540295.db2.gz ZJGMNANQBYAZGJ-NRFANRHFSA-N 1 0 386.879 4.099 20 0 GIADRO CCOc1ccccc1[C@@H](CC)[NH2+]CC(=O)NCCc1nc2ccccc2s1 ZINC000179742577 822540819 /nfs/dbraw/zinc/54/08/19/822540819.db2.gz JZIQRURAPIFWEL-QGZVFWFLSA-N 1 0 397.544 4.095 20 0 GIADRO COc1c(C)cc(C(=O)N[C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)cc1C ZINC000179743552 822541178 /nfs/dbraw/zinc/54/11/78/822541178.db2.gz XVPVYMLDBGBQEM-FQEVSTJZSA-N 1 0 394.515 4.030 20 0 GIADRO COc1ccc(C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)cc1OC(F)F ZINC000179745079 822541459 /nfs/dbraw/zinc/54/14/59/822541459.db2.gz IUPTVORLKHMWRP-UHFFFAOYSA-N 1 0 390.430 4.147 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000179744402 822541482 /nfs/dbraw/zinc/54/14/82/822541482.db2.gz DBMDSDQBSNTPDQ-NRFANRHFSA-N 1 0 398.938 4.498 20 0 GIADRO C[C@@H]1CCN(C(=O)C[NH2+][C@@H](CCCO)c2ccccc2)c2ccccc2S1 ZINC000179748089 822541837 /nfs/dbraw/zinc/54/18/37/822541837.db2.gz OZGUOCQQMBEQAH-MJGOQNOKSA-N 1 0 384.545 4.007 20 0 GIADRO COc1ccccc1COC1CC[NH+](Cc2ccc(-n3cccn3)cc2)CC1 ZINC000179748944 822542070 /nfs/dbraw/zinc/54/20/70/822542070.db2.gz UHGVOUVRWQEXBA-UHFFFAOYSA-N 1 0 377.488 4.062 20 0 GIADRO C[C@H](c1ccc(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)cc1)C(F)(F)F ZINC000454833354 822542858 /nfs/dbraw/zinc/54/28/58/822542858.db2.gz HMWRQIQWYGWCLP-OAHLLOKOSA-N 1 0 391.437 4.142 20 0 GIADRO CCc1noc(C2CCC([NH2+]CCCOc3cccc4cccnc43)CC2)n1 ZINC000183900970 822542948 /nfs/dbraw/zinc/54/29/48/822542948.db2.gz VPMBTWMJHOEALI-UHFFFAOYSA-N 1 0 380.492 4.265 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N1CCC[C@H]1c1cccc(Cl)c1 ZINC000179753587 822543350 /nfs/dbraw/zinc/54/33/50/822543350.db2.gz RLKAAITZYZZIRI-NRFANRHFSA-N 1 0 398.938 4.498 20 0 GIADRO O=C(Nc1cc(F)ccc1SCC(F)F)NC1CC[NH+](C2CCC2)CC1 ZINC000454838878 822543923 /nfs/dbraw/zinc/54/39/23/822543923.db2.gz SIDYQLRGNSCPSI-UHFFFAOYSA-N 1 0 387.471 4.321 20 0 GIADRO COc1ccc([C@H](C)C[NH+]2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)cc1 ZINC000179756711 822544205 /nfs/dbraw/zinc/54/42/05/822544205.db2.gz UFPBJIZEARWXRR-OAHLLOKOSA-N 1 0 387.911 4.198 20 0 GIADRO COc1ccccc1COC1CC[NH+](Cc2nc3ccccc3nc2C)CC1 ZINC000179758556 822544665 /nfs/dbraw/zinc/54/46/65/822544665.db2.gz VDMPYSGHWCQSBW-UHFFFAOYSA-N 1 0 377.488 4.128 20 0 GIADRO CC1CC[NH+]([C@H](CNC(=O)c2ncccc2C(F)(F)F)c2cccs2)CC1 ZINC000179758403 822544714 /nfs/dbraw/zinc/54/47/14/822544714.db2.gz IEWYWMFUHGFUHJ-OAHLLOKOSA-N 1 0 397.466 4.365 20 0 GIADRO CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179760771 822545392 /nfs/dbraw/zinc/54/53/92/822545392.db2.gz LRPHFPWWUDAFMB-QFIPXVFZSA-N 1 0 394.563 4.269 20 0 GIADRO CC(C)c1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1 ZINC000179762797 822546346 /nfs/dbraw/zinc/54/63/46/822546346.db2.gz RDSKUUZROZDCLF-INIZCTEOSA-N 1 0 379.504 4.448 20 0 GIADRO Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000179762839 822546449 /nfs/dbraw/zinc/54/64/49/822546449.db2.gz DPDSDWJNQHHNQZ-CQSZACIVSA-N 1 0 385.895 4.286 20 0 GIADRO CC1(C)CN(C(=O)NC2CC(F)(F)C2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000454855912 822546671 /nfs/dbraw/zinc/54/66/71/822546671.db2.gz IXYOEOHMRVHFMM-LJQANCHMSA-N 1 0 391.506 4.116 20 0 GIADRO Cc1csc([C@H](C)CNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)n1 ZINC000183920665 822546700 /nfs/dbraw/zinc/54/67/00/822546700.db2.gz LFLGBGUHOZAIQV-MRXNPFEDSA-N 1 0 386.565 4.040 20 0 GIADRO CN(C(=O)Nc1ccc2ccn(C)c2c1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000454858622 822547166 /nfs/dbraw/zinc/54/71/66/822547166.db2.gz GFIQXBQYEIJUEC-UHFFFAOYSA-N 1 0 382.430 4.059 20 0 GIADRO O=C(NCC[NH+]1CCCCC1)c1ccccc1-c1ncc(-c2ccccc2F)o1 ZINC000047140269 822547854 /nfs/dbraw/zinc/54/78/54/822547854.db2.gz DPRLPTWOOQXSQU-UHFFFAOYSA-N 1 0 393.462 4.363 20 0 GIADRO COc1cc(C[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)ccc1OC(C)C ZINC000179766882 822547929 /nfs/dbraw/zinc/54/79/29/822547929.db2.gz PNKXBGUJESIFLX-UHFFFAOYSA-N 1 0 398.503 4.039 20 0 GIADRO O=C(NCCCCC[NH+]1CCCC1)NCc1nc(-c2ccccc2F)cs1 ZINC000454863414 822548094 /nfs/dbraw/zinc/54/80/94/822548094.db2.gz BZFUDSPAZJBCHJ-UHFFFAOYSA-N 1 0 390.528 4.015 20 0 GIADRO CC(C)=CCC[C@H](C)NC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000454865815 822548331 /nfs/dbraw/zinc/54/83/31/822548331.db2.gz DNBZXOFXUJGLRA-OOHWJJMZSA-N 1 0 375.479 4.226 20 0 GIADRO Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000047146633 822548377 /nfs/dbraw/zinc/54/83/77/822548377.db2.gz NGHOQJVKHIVMKA-GFCCVEGCSA-N 1 0 396.318 4.419 20 0 GIADRO C[C@@H](CCCC(F)(F)F)NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000454868825 822548975 /nfs/dbraw/zinc/54/89/75/822548975.db2.gz YLTLNLBCSBCFDU-IRXDYDNUSA-N 1 0 385.474 4.271 20 0 GIADRO C[C@@H](NC(=O)C[NH2+][C@H](C)c1ccc(NC(=O)C2CC2)cc1)c1ccc(Cl)cc1 ZINC000179770335 822549228 /nfs/dbraw/zinc/54/92/28/822549228.db2.gz OFTSKDFHLGWESY-HUUCEWRRSA-N 1 0 399.922 4.217 20 0 GIADRO COc1ccc([C@@H](Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)C(C)C)cc1 ZINC000179773268 822550021 /nfs/dbraw/zinc/55/00/21/822550021.db2.gz XZFDSDNPFOMTPU-QHCPKHFHSA-N 1 0 395.547 4.202 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N1c2ccccc2CC[C@H]1C)c1ccc(NC(=O)C2CC2)cc1 ZINC000179776161 822550627 /nfs/dbraw/zinc/55/06/27/822550627.db2.gz PPZRLXXMKOHGHB-IAGOWNOFSA-N 1 0 391.515 4.054 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccccc1Cl)c1ccc(NC(=O)C2CC2)cc1 ZINC000179779309 822551261 /nfs/dbraw/zinc/55/12/61/822551261.db2.gz GCXYXCPXEUQUJO-CABCVRRESA-N 1 0 399.922 4.217 20 0 GIADRO CCc1cccc(C)c1NC(=O)C[NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000179780451 822551493 /nfs/dbraw/zinc/55/14/93/822551493.db2.gz YTXRNZZWHOQZPA-INIZCTEOSA-N 1 0 379.504 4.195 20 0 GIADRO c1ccc(COc2cccc(C[N@@H+]3CCC[C@H](c4nnc5ccccn54)C3)c2)nc1 ZINC000179781881 822551748 /nfs/dbraw/zinc/55/17/48/822551748.db2.gz PGVZNUCGVIAXOG-FQEVSTJZSA-N 1 0 399.498 4.083 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CCCNC(=O)c2ccccc2)cc1 ZINC000047190818 822552679 /nfs/dbraw/zinc/55/26/79/822552679.db2.gz WERXNTBIYZENEA-IBGZPJMESA-N 1 0 393.531 4.210 20 0 GIADRO C[C@H](NC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[C@@H]1CCC[C@H](C)C1 ZINC000454898102 822552860 /nfs/dbraw/zinc/55/28/60/822552860.db2.gz IZRUVQOBBHXWFO-AQKMWONCSA-N 1 0 389.506 4.306 20 0 GIADRO CCOCc1cc(C[NH+]2CCC(c3c[nH]c4ncccc34)CC2)ccc1OC ZINC000179800046 822555326 /nfs/dbraw/zinc/55/53/26/822555326.db2.gz WQDREYODSTXIIO-UHFFFAOYSA-N 1 0 379.504 4.488 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(C(F)F)cc1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000183988352 822558606 /nfs/dbraw/zinc/55/86/06/822558606.db2.gz YLZIXONYYBLQFC-AWEZNQCLSA-N 1 0 380.460 4.015 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(-n3ncc4ccccc43)cc2)C1 ZINC000183988744 822558939 /nfs/dbraw/zinc/55/89/39/822558939.db2.gz KERDULLODKJWJN-GOSISDBHSA-N 1 0 391.519 4.221 20 0 GIADRO CCOc1ccccc1NC(=O)C[NH2+]C(C)(C)c1ccc(Br)cc1 ZINC000047258144 822559358 /nfs/dbraw/zinc/55/93/58/822559358.db2.gz FSGFKXZSXNERIX-UHFFFAOYSA-N 1 0 391.309 4.311 20 0 GIADRO C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000183992056 822559597 /nfs/dbraw/zinc/55/95/97/822559597.db2.gz LJILWSGOIHQRJU-WZONZLPQSA-N 1 0 392.547 4.059 20 0 GIADRO CNC(=O)C1CC[NH+](Cc2ccc(-c3ccc(C(F)(F)F)cc3)s2)CC1 ZINC000179822013 822559819 /nfs/dbraw/zinc/55/98/19/822559819.db2.gz FBJJPTRGKQCITQ-UHFFFAOYSA-N 1 0 382.451 4.392 20 0 GIADRO C[C@H](C[N@H+](C)[C@@H](C)C(=O)N(C)Cc1c(F)cccc1Cl)c1nccs1 ZINC000183993431 822559886 /nfs/dbraw/zinc/55/98/86/822559886.db2.gz UKJKVMPLWRGUMB-OLZOCXBDSA-N 1 0 383.920 4.018 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)CCc1ccc2[nH]ccc2c1 ZINC000179827919 822561145 /nfs/dbraw/zinc/56/11/45/822561145.db2.gz CKZDQZZZWDMTDF-UHFFFAOYSA-N 1 0 379.504 4.460 20 0 GIADRO Cc1nn(C)c2nc(C)cc(C(=O)Nc3ccc(C[N@H+]4CCC[C@@H](C)C4)cc3)c12 ZINC000047283516 822561907 /nfs/dbraw/zinc/56/19/07/822561907.db2.gz LNVCIAZONUSAGH-OAHLLOKOSA-N 1 0 391.519 4.069 20 0 GIADRO Cc1nn(-c2cccc(Cl)c2)c(Cl)c1CN1CCC([NH2+]C(C)C)CC1 ZINC000179834210 822562642 /nfs/dbraw/zinc/56/26/42/822562642.db2.gz VLQGSPUIPMEIGK-UHFFFAOYSA-N 1 0 381.351 4.450 20 0 GIADRO Cc1cccn2cc(COc3ccc(CN4CCC([NH2+]C(C)C)CC4)cc3)nc12 ZINC000179836537 822563261 /nfs/dbraw/zinc/56/32/61/822563261.db2.gz XKXFBLLNSVWQOR-UHFFFAOYSA-N 1 0 392.547 4.184 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCc1ccc(C(F)F)cc1 ZINC000184011662 822563520 /nfs/dbraw/zinc/56/35/20/822563520.db2.gz VXHSPSWKKPMXBP-UHFFFAOYSA-N 1 0 375.463 4.464 20 0 GIADRO CC(C)C(=O)Nc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000047304107 822563620 /nfs/dbraw/zinc/56/36/20/822563620.db2.gz ARQLAKCNDIXMKP-UHFFFAOYSA-N 1 0 379.504 4.132 20 0 GIADRO COc1ccc([C@@H]2CCCN2C(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000047304401 822563638 /nfs/dbraw/zinc/56/36/38/822563638.db2.gz RRFIRCJMPOBAMO-QHCPKHFHSA-N 1 0 378.516 4.271 20 0 GIADRO CC(=O)N(c1nc(C[NH2+][C@@H](C)C2CCOCC2)cs1)c1ccc(C)c(C)c1 ZINC000179839603 822563873 /nfs/dbraw/zinc/56/38/73/822563873.db2.gz VCXNXAYBHRHRCJ-INIZCTEOSA-N 1 0 387.549 4.349 20 0 GIADRO O=C(NCCCCOc1ccc(F)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000047305698 822563894 /nfs/dbraw/zinc/56/38/94/822563894.db2.gz VTFFNXYXENHXEP-UHFFFAOYSA-N 1 0 384.495 4.013 20 0 GIADRO O=C(Nc1cccc(Oc2cnccn2)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000047306154 822564045 /nfs/dbraw/zinc/56/40/45/822564045.db2.gz VVXZYANNCRGRSE-UHFFFAOYSA-N 1 0 388.471 4.120 20 0 GIADRO Cc1nccc(-c2cccc(NC(=O)C3CC[NH+](Cc4ccccc4)CC3)c2)n1 ZINC000047306125 822564069 /nfs/dbraw/zinc/56/40/69/822564069.db2.gz GSGPLXAWBQWODB-UHFFFAOYSA-N 1 0 386.499 4.303 20 0 GIADRO CCc1ccccc1N(C(C)=O)c1nc(C[NH2+][C@@H](C)C2CCOCC2)cs1 ZINC000179853808 822566562 /nfs/dbraw/zinc/56/65/62/822566562.db2.gz DJRJZFQBKYXSBK-HNNXBMFYSA-N 1 0 387.549 4.295 20 0 GIADRO O=C(NCCC1CC(F)(F)C1)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000454997813 822567898 /nfs/dbraw/zinc/56/78/98/822567898.db2.gz VXLOARGSQJJXSI-UHFFFAOYSA-N 1 0 381.467 4.108 20 0 GIADRO COc1ccc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1OC1CCCC1 ZINC000184045455 822569949 /nfs/dbraw/zinc/56/99/49/822569949.db2.gz INWOLFNXQOCNBX-QGZVFWFLSA-N 1 0 388.533 4.111 20 0 GIADRO CCOCc1cc(C[NH+]2CCC(C(=O)c3ccc(OC)cc3)CC2)ccc1OC ZINC000179880709 822570776 /nfs/dbraw/zinc/57/07/76/822570776.db2.gz JCQMBTLWCXTWFF-UHFFFAOYSA-N 1 0 397.515 4.335 20 0 GIADRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1 ZINC000179882389 822571226 /nfs/dbraw/zinc/57/12/26/822571226.db2.gz XXRVKOMTGJGFTO-RHSMWYFYSA-N 1 0 386.883 4.228 20 0 GIADRO Clc1ccc2c(c1)nccc2SCC[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000184070430 822574030 /nfs/dbraw/zinc/57/40/30/822574030.db2.gz LKPVVFUFIAJCPX-UHFFFAOYSA-N 1 0 392.952 4.109 20 0 GIADRO Cc1cn(-c2ccccc2Cl)nc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000179907984 822574984 /nfs/dbraw/zinc/57/49/84/822574984.db2.gz LKHKRULJARKZQB-WIYYLYMNSA-N 1 0 394.906 4.009 20 0 GIADRO CC[C@@H]([NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1)c1nccn1C ZINC000184084437 822575675 /nfs/dbraw/zinc/57/56/75/822575675.db2.gz XICXVHUZZQPULQ-GOSISDBHSA-N 1 0 381.351 4.432 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)c2cc(Br)cs2)CC1 ZINC000184095728 822577185 /nfs/dbraw/zinc/57/71/85/822577185.db2.gz QEIYMWSVFDTZKC-UHFFFAOYSA-N 1 0 387.387 4.485 20 0 GIADRO CCCC(=O)Nc1ccc(Cl)c(NC(=O)NC(C)(C)C[NH+]2CCCC2)c1 ZINC000455039611 822577895 /nfs/dbraw/zinc/57/78/95/822577895.db2.gz DGGWQEMSXYCADB-UHFFFAOYSA-N 1 0 380.920 4.075 20 0 GIADRO Cc1c2ccc3ccccc3c2oc1C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000047423403 822578239 /nfs/dbraw/zinc/57/82/39/822578239.db2.gz NZXHGIKHVXRABD-UHFFFAOYSA-N 1 0 392.499 4.079 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)c1 ZINC000047447834 822580323 /nfs/dbraw/zinc/58/03/23/822580323.db2.gz NDPHXSXRWPTFKQ-WIYYLYMNSA-N 1 0 393.531 4.077 20 0 GIADRO CCC[N@H+](C)[C@@H](CNC(=O)NCc1cnc(C2CC2)o1)c1ccc(Cl)cc1 ZINC000455049554 822580540 /nfs/dbraw/zinc/58/05/40/822580540.db2.gz QZHQYRUKIAKTGK-SFHVURJKSA-N 1 0 390.915 4.088 20 0 GIADRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)Nc1cn(CC(C)C)nc1C(F)F ZINC000455052176 822580897 /nfs/dbraw/zinc/58/08/97/822580897.db2.gz NIXBXAIRJWXTCX-HNNXBMFYSA-N 1 0 385.503 4.109 20 0 GIADRO CC(C)c1cc(C(=O)Nc2cccc(C[NH+](C)C)c2)c2cnn(C(C)C)c2n1 ZINC000047453515 822580905 /nfs/dbraw/zinc/58/09/05/822580905.db2.gz TXZUKXBRUWPUGK-UHFFFAOYSA-N 1 0 379.508 4.450 20 0 GIADRO CC(C)c1ccc(-c2noc(CCC(=O)Nc3cccc(C[NH+](C)C)c3)n2)cc1 ZINC000047453955 822580944 /nfs/dbraw/zinc/58/09/44/822580944.db2.gz RBBSBFPNZQIHBP-UHFFFAOYSA-N 1 0 392.503 4.493 20 0 GIADRO CC1CC[NH+](CCc2cccc(NC(=O)N(C)[C@H](CO)c3ccccc3)c2)CC1 ZINC000455055192 822581551 /nfs/dbraw/zinc/58/15/51/822581551.db2.gz JVYWRGXMEQQLIQ-HSZRJFAPSA-N 1 0 395.547 4.158 20 0 GIADRO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(SC)c(OC)c2)cc1 ZINC000179948276 822583469 /nfs/dbraw/zinc/58/34/69/822583469.db2.gz SFJHAIOIQZQPNT-AWEZNQCLSA-N 1 0 379.547 4.062 20 0 GIADRO C[C@H](Nc1ccc(N2CCO[C@@H](C)C2)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000179948678 822583815 /nfs/dbraw/zinc/58/38/15/822583815.db2.gz OWBGSRIDAONBKY-OALUTQOASA-N 1 0 383.536 4.025 20 0 GIADRO Cc1ccnc(NC(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000184140275 822584788 /nfs/dbraw/zinc/58/47/88/822584788.db2.gz SOBGVTHJAWMXCC-UHFFFAOYSA-N 1 0 392.425 4.149 20 0 GIADRO CCS(=O)(=O)c1ccc(C[NH2+][C@H]2CCSc3ccc(Cl)cc32)cc1 ZINC000179953284 822584852 /nfs/dbraw/zinc/58/48/52/822584852.db2.gz LXJDORGYHNTYEN-KRWDZBQOSA-N 1 0 381.950 4.460 20 0 GIADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)Nc3ccc(COc4ccccc4)cc3)C2)C1 ZINC000455075093 822585446 /nfs/dbraw/zinc/58/54/46/822585446.db2.gz KUWUJZXIVNLWJD-QHCPKHFHSA-N 1 0 379.504 4.215 20 0 GIADRO Cn1cc([C@@H](NC[C@@H](c2ccccc2)[NH+]2CCCC2)c2cccc(F)c2)cn1 ZINC000179960848 822586115 /nfs/dbraw/zinc/58/61/15/822586115.db2.gz ZZTFMCQFYDUIAO-GOTSBHOMSA-N 1 0 378.495 4.075 20 0 GIADRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000179966357 822587135 /nfs/dbraw/zinc/58/71/35/822587135.db2.gz DPDNHDQNLNRSOE-SWLSCSKDSA-N 1 0 377.847 4.095 20 0 GIADRO CSc1ccc(NC(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)nc1 ZINC000455100358 822588858 /nfs/dbraw/zinc/58/88/58/822588858.db2.gz MYUPGVBAHKHNFB-UHFFFAOYSA-N 1 0 396.560 4.324 20 0 GIADRO O=C(Nc1ccc(Oc2ccccc2)cn1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000455105983 822589623 /nfs/dbraw/zinc/58/96/23/822589623.db2.gz DDFZIYQFUAXYQL-UTKZUKDTSA-N 1 0 392.503 4.355 20 0 GIADRO COc1ccc(NC(=O)N2CCC([NH+]3CCCCC3)CC2)c(C(F)(F)F)c1 ZINC000047552136 822590255 /nfs/dbraw/zinc/59/02/55/822590255.db2.gz PFWWPNLMVORBJW-UHFFFAOYSA-N 1 0 385.430 4.196 20 0 GIADRO Fc1ccc(-c2noc(CCC[NH2+]Cc3ccc(OC(F)F)c(F)c3)n2)cc1 ZINC000184171375 822590367 /nfs/dbraw/zinc/59/03/67/822590367.db2.gz OEEUTARCVJHCSB-UHFFFAOYSA-N 1 0 395.356 4.339 20 0 GIADRO CCOc1ccc(CC[NH2+][C@H](c2cnn(C)c2)c2cccc(F)c2)cc1OCC ZINC000179984353 822590689 /nfs/dbraw/zinc/59/06/89/822590689.db2.gz IVJXICNOLSRNDQ-QHCPKHFHSA-N 1 0 397.494 4.278 20 0 GIADRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CCCc2nc(-c3ccc(F)cc3)no2)c1 ZINC000184174635 822590725 /nfs/dbraw/zinc/59/07/25/822590725.db2.gz RBFQAGOJAWKYKE-UHFFFAOYSA-N 1 0 390.802 4.160 20 0 GIADRO CSCCCCCC[NH2+]Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2 ZINC000184178803 822591664 /nfs/dbraw/zinc/59/16/64/822591664.db2.gz FNYXQYZAOWSIQB-UHFFFAOYSA-N 1 0 389.565 4.261 20 0 GIADRO CC[NH+](CC)CCOC1CCN(C(=O)N[C@@H](C)c2cccc(C3CC3)c2)CC1 ZINC000455120800 822591974 /nfs/dbraw/zinc/59/19/74/822591974.db2.gz UESJLCCPAPHYHB-SFHVURJKSA-N 1 0 387.568 4.157 20 0 GIADRO CCOc1cc(NC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)ccc1OC ZINC000047582168 822593263 /nfs/dbraw/zinc/59/32/63/822593263.db2.gz KXWYSMCOTPRFRD-UHFFFAOYSA-N 1 0 389.540 4.214 20 0 GIADRO Brc1ccc([C@H]([NH2+]Cc2cccnc2-n2ccnc2)C2CC2)cc1 ZINC000180009868 822595589 /nfs/dbraw/zinc/59/55/89/822595589.db2.gz LEXNDCOMGUWIHX-GOSISDBHSA-N 1 0 383.293 4.271 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)N3CC4(CCC4)[C@@H]3c3ccco3)c2)CC1 ZINC000455142475 822596132 /nfs/dbraw/zinc/59/61/32/822596132.db2.gz DFZMYDRXWPCTCP-NRFANRHFSA-N 1 0 394.519 4.181 20 0 GIADRO CC(C)CS(=O)(=O)N1CCC([NH2+][C@H](c2cccs2)C2CCCC2)CC1 ZINC000180016790 822597264 /nfs/dbraw/zinc/59/72/64/822597264.db2.gz XQZQGKMONYCCBE-IBGZPJMESA-N 1 0 384.611 4.019 20 0 GIADRO O=C(Nc1cccc(Cl)c1-n1cccn1)N1CCC([NH+]2CCCCC2)CC1 ZINC000047631900 822598202 /nfs/dbraw/zinc/59/82/02/822598202.db2.gz LDKSOJXPGUIAEX-UHFFFAOYSA-N 1 0 387.915 4.008 20 0 GIADRO O=C1CCCN1C[C@@H]([NH2+][C@@H]1CCc2c1cccc2Br)c1ccccc1 ZINC000180023328 822598801 /nfs/dbraw/zinc/59/88/01/822598801.db2.gz DIPMCELYQBFDOK-WOJBJXKFSA-N 1 0 399.332 4.390 20 0 GIADRO CN(C)C(=O)c1cccc(NC(=O)C[N@H+](Cc2ccccc2)C2CCCCC2)c1 ZINC000047659336 822598944 /nfs/dbraw/zinc/59/89/44/822598944.db2.gz OFWWXOYJNRCVDW-UHFFFAOYSA-N 1 0 393.531 4.162 20 0 GIADRO C[NH+](C)Cc1c2ccccc2oc1C(=O)N1Cc2cccc(Br)c2C1 ZINC000184224374 822599049 /nfs/dbraw/zinc/59/90/49/822599049.db2.gz XTHSIACXQOJLQY-UHFFFAOYSA-N 1 0 399.288 4.413 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)C[NH2+][C@H](c2ccc(Cl)cc2)[C@H]2C[C@@H]2C)cc1 ZINC000180024022 822599161 /nfs/dbraw/zinc/59/91/61/822599161.db2.gz BNPUDCJSLLWAQH-JBZDTAIVSA-N 1 0 385.895 4.224 20 0 GIADRO COc1cc(C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)c([N+](=O)[O-])cc1F ZINC000184236181 822600678 /nfs/dbraw/zinc/60/06/78/822600678.db2.gz YHBGBLTVDXCULM-QAPCUYQASA-N 1 0 392.427 4.204 20 0 GIADRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cc(F)ccc2C)cc1 ZINC000180034111 822601564 /nfs/dbraw/zinc/60/15/64/822601564.db2.gz JQTYBAOWHDOPIZ-MRXNPFEDSA-N 1 0 378.513 4.015 20 0 GIADRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N[C@H](c1nccs1)c1ccccc1 ZINC000455181648 822602988 /nfs/dbraw/zinc/60/29/88/822602988.db2.gz CPIDHQADJGHROS-OALUTQOASA-N 1 0 386.565 4.042 20 0 GIADRO CCCC(=O)Nc1cccc(NC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000047715220 822603044 /nfs/dbraw/zinc/60/30/44/822603044.db2.gz LPCUKTQCASAONN-OAQYLSRUSA-N 1 0 394.519 4.384 20 0 GIADRO CCCC(=O)Nc1cccc(NC(=O)NCCC[N@H+](C)Cc2ccccc2)c1 ZINC000047715538 822603114 /nfs/dbraw/zinc/60/31/14/822603114.db2.gz CBSXXDDQOZIQOV-UHFFFAOYSA-N 1 0 382.508 4.069 20 0 GIADRO COc1cc(C[NH2+]Cc2ccc(OC3CCCC3)c(OC)c2)cc2c1OCO2 ZINC000047717749 822603523 /nfs/dbraw/zinc/60/35/23/822603523.db2.gz YPMPARAONJSWKA-UHFFFAOYSA-N 1 0 385.460 4.044 20 0 GIADRO CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccc(-n3ccnc3)cc2)cc1 ZINC000047723547 822603855 /nfs/dbraw/zinc/60/38/55/822603855.db2.gz FTVCXSUKZDOZAV-KRWDZBQOSA-N 1 0 377.492 4.253 20 0 GIADRO C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000184266771 822605884 /nfs/dbraw/zinc/60/58/84/822605884.db2.gz RSQXSWWMFVWKTA-QGZVFWFLSA-N 1 0 398.934 4.330 20 0 GIADRO C[C@@H](C[S@@](C)=O)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000184267533 822605909 /nfs/dbraw/zinc/60/59/09/822605909.db2.gz AIWBIXUUDMZAEK-QWXGXRTQSA-N 1 0 387.936 4.049 20 0 GIADRO C[C@@H]([NH2+]C1CCN(C(=O)c2ccccc2)CC1)c1nc2ccc(Cl)cc2n1C ZINC000180059957 822606276 /nfs/dbraw/zinc/60/62/76/822606276.db2.gz KYWKREUWRSRPCH-OAHLLOKOSA-N 1 0 396.922 4.182 20 0 GIADRO CSc1ccc([C@@H](CNC(=O)Nc2ccnn2[C@@H](C)C2CC2)[NH+](C)C)cc1 ZINC000455200089 822606900 /nfs/dbraw/zinc/60/69/00/822606900.db2.gz WBGXGNGYDJOHDV-KBXCAEBGSA-N 1 0 387.553 4.000 20 0 GIADRO COc1cc(C[N@H+](Cc2ccc(OC(F)F)c(OC)c2)C2CC2)ccc1O ZINC000180067344 822608258 /nfs/dbraw/zinc/60/82/58/822608258.db2.gz DGVMAZUPFFNHDX-UHFFFAOYSA-N 1 0 379.403 4.175 20 0 GIADRO Cc1ccccc1C(NC(=O)CCCCN1CCOCC1)c1ccccc1C ZINC000184288636 822609088 /nfs/dbraw/zinc/60/90/88/822609088.db2.gz YVPNESDNPOTVPG-UHFFFAOYSA-N 1 0 380.532 4.012 20 0 GIADRO COc1cc(C[NH2+][C@@H](C)c2ccc3c(c2)CCC(=O)N3)ccc1OC(F)F ZINC000047827012 822613004 /nfs/dbraw/zinc/61/30/04/822613004.db2.gz WWAPYAXHKBMSJY-LBPRGKRZSA-N 1 0 376.403 4.032 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)NCc1ccnc(Oc2ccccc2)c1)c1cccs1 ZINC000047832065 822613228 /nfs/dbraw/zinc/61/32/28/822613228.db2.gz ALRVRHOKRBLDHN-SFHVURJKSA-N 1 0 396.516 4.038 20 0 GIADRO CC(C)Oc1ccccc1[C@H](C)NC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000047832297 822613235 /nfs/dbraw/zinc/61/32/35/822613235.db2.gz LVUIDLRMYUIBJV-RDJZCZTQSA-N 1 0 375.538 4.198 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(-c2cnco2)cc1)Cc1ccccc1 ZINC000047829498 822613266 /nfs/dbraw/zinc/61/32/66/822613266.db2.gz WDKXYAZBKJWNID-OAQYLSRUSA-N 1 0 377.488 4.025 20 0 GIADRO CCOc1cc(Br)c(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OCC ZINC000180091029 822613481 /nfs/dbraw/zinc/61/34/81/822613481.db2.gz WBTBNHQBHMVUID-ZIAGYGMSSA-N 1 0 383.330 4.285 20 0 GIADRO C[N@@H+]1CC[C@@H](NC(=O)c2occc2COc2ccccc2)[C@@H]1c1ccccc1 ZINC000180095274 822614311 /nfs/dbraw/zinc/61/43/11/822614311.db2.gz JAVIKPBHBIFRRT-RTWAWAEBSA-N 1 0 376.456 4.034 20 0 GIADRO COc1cc([C@H](C)[NH2+]Cc2cnn(C)c2C(F)(F)F)ccc1OCC(C)C ZINC000180100166 822615188 /nfs/dbraw/zinc/61/51/88/822615188.db2.gz JPVBTTSOWDKLBS-ZDUSSCGKSA-N 1 0 385.430 4.333 20 0 GIADRO CC(C)Oc1ccccc1[C@H](C)NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000047882475 822616028 /nfs/dbraw/zinc/61/60/28/822616028.db2.gz XRHBVPQGVTUGAU-HKUYNNGSSA-N 1 0 385.508 4.264 20 0 GIADRO CC(C)[NH+]1CCC(NC(=O)N[C@@H](C)c2cc(F)c(Cl)cc2Cl)CC1 ZINC000047883593 822616221 /nfs/dbraw/zinc/61/62/21/822616221.db2.gz LXPPNIBIEOHWMN-NSHDSACASA-N 1 0 376.303 4.366 20 0 GIADRO C[C@H]([NH2+]CC1(Sc2ccccc2)CCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000180106720 822616275 /nfs/dbraw/zinc/61/62/75/822616275.db2.gz KQDQRXXLKJLABW-INIZCTEOSA-N 1 0 390.574 4.090 20 0 GIADRO CC(C)[NH+]1CCC(NC(=O)NCc2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000047884970 822616295 /nfs/dbraw/zinc/61/62/95/822616295.db2.gz JXBINNDPPVLWNU-UHFFFAOYSA-N 1 0 398.532 4.228 20 0 GIADRO Cc1nc(-c2cccc(C(=O)N[C@H]3CC[N@@H+](C)[C@@H]3c3ccccc3)c2)cs1 ZINC000180105974 822616311 /nfs/dbraw/zinc/61/63/11/822616311.db2.gz BOOOZKODGUZRKE-PZJWPPBQSA-N 1 0 377.513 4.294 20 0 GIADRO CC(C)Cc1ccc([C@H](NC(=O)NC2CC[NH+](C)CC2)c2cccs2)cc1 ZINC000047885983 822616499 /nfs/dbraw/zinc/61/64/99/822616499.db2.gz HVIJHGGHUUHKBQ-NRFANRHFSA-N 1 0 385.577 4.429 20 0 GIADRO C[C@H](NC(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1ccccn1 ZINC000047888261 822616581 /nfs/dbraw/zinc/61/65/81/822616581.db2.gz NCKCERRXBYJUCW-OTWHNJEPSA-N 1 0 380.536 4.120 20 0 GIADRO C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000184331046 822616629 /nfs/dbraw/zinc/61/66/29/822616629.db2.gz VCMBMPNGEWVSCV-SJORKVTESA-N 1 0 378.944 4.177 20 0 GIADRO CCc1nc(CN2CCC(C[NH2+][C@@H](C)c3nc4ccccc4n3C)CC2)cs1 ZINC000180108430 822616793 /nfs/dbraw/zinc/61/67/93/822616793.db2.gz OXLUVBVSCGFRCI-INIZCTEOSA-N 1 0 397.592 4.155 20 0 GIADRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)N[C@H]1CCCC[C@H]1CC(F)(F)F ZINC000455251205 822617855 /nfs/dbraw/zinc/61/78/55/822617855.db2.gz CVRIYVFYTJCGFE-RDJZCZTQSA-N 1 0 389.462 4.254 20 0 GIADRO COc1ccc2oc([C@@H](C)[NH2+]CC(=O)Nc3ccc(C(C)=O)cc3)c(C)c2c1 ZINC000184339013 822618264 /nfs/dbraw/zinc/61/82/64/822618264.db2.gz HYSDDYREOPWOFS-CQSZACIVSA-N 1 0 380.444 4.242 20 0 GIADRO CCCN1c2ccc(N[C@@H](C)c3ccc(OCC[NH+](C)C)cc3)cc2CCC1=O ZINC000180115189 822618257 /nfs/dbraw/zinc/61/82/57/822618257.db2.gz QLSNCXWOYJIJNM-SFHVURJKSA-N 1 0 395.547 4.489 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c2ccccc2O1 ZINC000455254201 822618730 /nfs/dbraw/zinc/61/87/30/822618730.db2.gz WVUBCJZAAGXVJK-SYYKKAFVSA-N 1 0 393.531 4.062 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2OC(F)F)C1)c1nc2ccccc2n1C ZINC000180120008 822619362 /nfs/dbraw/zinc/61/93/62/822619362.db2.gz LLSUYUVJBYGMMM-LSDHHAIUSA-N 1 0 386.446 4.104 20 0 GIADRO Cc1cc(NC(=O)CC[NH2+][C@@H](C)c2sc(-c3ccc(F)cc3)nc2C)no1 ZINC000184345390 822619401 /nfs/dbraw/zinc/61/94/01/822619401.db2.gz RXCPXTNHSGPHRC-LBPRGKRZSA-N 1 0 388.468 4.233 20 0 GIADRO Clc1ccc([C@@H]([NH2+]Cc2cccnc2-n2cncn2)c2ccccc2)cc1 ZINC000180122712 822619920 /nfs/dbraw/zinc/61/99/20/822619920.db2.gz KROHALXEZDMSFC-FQEVSTJZSA-N 1 0 375.863 4.195 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]Cc1cc(=O)n2ccccc2n1 ZINC000184349433 822620270 /nfs/dbraw/zinc/62/02/70/822620270.db2.gz NHURJDXTJJXZDC-CYBMUJFWSA-N 1 0 394.475 4.116 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]CC(=O)NCc1cccs1 ZINC000184350277 822620417 /nfs/dbraw/zinc/62/04/17/822620417.db2.gz QQVXEAAQSNOWPJ-LBPRGKRZSA-N 1 0 389.521 4.286 20 0 GIADRO COc1cccc([C@@H](CNC(=O)N[C@@H](C)c2cc(C)sc2C)[NH+](C)C)c1 ZINC000047936810 822621172 /nfs/dbraw/zinc/62/11/72/822621172.db2.gz UYMAQFLJRIGYJM-IFXJQAMLSA-N 1 0 375.538 4.037 20 0 GIADRO CNC(=O)c1cccc(CC[NH2+][C@H](c2ccc(Br)cc2)C2CC2)c1 ZINC000180128188 822621454 /nfs/dbraw/zinc/62/14/54/822621454.db2.gz BLLRTQDGQHQEDC-IBGZPJMESA-N 1 0 387.321 4.092 20 0 GIADRO CC(C)[C@H]([NH2+]Cc1cccc(OCC(N)=O)c1)c1ccc(Cl)c(Cl)c1 ZINC000180135664 822623508 /nfs/dbraw/zinc/62/35/08/822623508.db2.gz JHDFJNHDJFMVFG-IBGZPJMESA-N 1 0 381.303 4.344 20 0 GIADRO NC(=O)COc1cccc(C[NH2+][C@H](c2ccc(Cl)c(Cl)c2)C2CC2)c1 ZINC000180135639 822623581 /nfs/dbraw/zinc/62/35/81/822623581.db2.gz JVWBYCSITWBBSU-IBGZPJMESA-N 1 0 379.287 4.098 20 0 GIADRO C[NH+](C)C1(CNC(=O)N[C@H](c2ccccc2)c2ccccn2)CCCCCC1 ZINC000047984066 822623810 /nfs/dbraw/zinc/62/38/10/822623810.db2.gz ASGBKTLJWZLQOH-OAQYLSRUSA-N 1 0 380.536 4.125 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1cccc(N2CCCC2=O)c1)c1cc2ccccc2s1 ZINC000184374431 822624180 /nfs/dbraw/zinc/62/41/80/822624180.db2.gz KTXFCWYOHJJRHP-OAHLLOKOSA-N 1 0 393.512 4.317 20 0 GIADRO CC[C@H]1Oc2cc([C@H](C)[NH2+][C@@H](C)c3nc4ccccc4n3C)ccc2NC1=O ZINC000180139451 822624565 /nfs/dbraw/zinc/62/45/65/822624565.db2.gz CLZHEUXBNNBBDV-CKFHNAJUSA-N 1 0 378.476 4.095 20 0 GIADRO COc1ccc([C@@H]([NH2+]CCC(=O)Nc2cc(Cl)ccc2OC)C2CC2)cc1 ZINC000180141041 822624943 /nfs/dbraw/zinc/62/49/43/822624943.db2.gz QEGGFAXOXQEHGT-NRFANRHFSA-N 1 0 388.895 4.427 20 0 GIADRO C[C@@H]([NH2+]C[C@H](Cc1ccccc1)c1ccccc1)c1ccc(S(N)(=O)=O)cc1 ZINC000180143465 822625582 /nfs/dbraw/zinc/62/55/82/822625582.db2.gz RCEUBUCATBAHBM-GCJKJVERSA-N 1 0 394.540 4.011 20 0 GIADRO C[C@H]([NH2+]C[C@@H](Cc1ccccc1)c1ccccc1)c1ccc(S(N)(=O)=O)cc1 ZINC000180143416 822625605 /nfs/dbraw/zinc/62/56/05/822625605.db2.gz RCEUBUCATBAHBM-PGRDOPGGSA-N 1 0 394.540 4.011 20 0 GIADRO O=C(N[C@@H](c1ccccc1)c1ccc(Cl)cc1)NC1CC[NH+](C2CC2)CC1 ZINC000048024578 822625585 /nfs/dbraw/zinc/62/55/85/822625585.db2.gz STVNLQKLRYQBMN-NRFANRHFSA-N 1 0 383.923 4.355 20 0 GIADRO Cc1ccc(SCC(F)(F)F)c(NC(=O)N(C)CC[N@H+](C)C2CC2)c1 ZINC000184386549 822626167 /nfs/dbraw/zinc/62/61/67/822626167.db2.gz WYVADNSXHPGMLK-UHFFFAOYSA-N 1 0 375.460 4.207 20 0 GIADRO C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC000048046594 822626429 /nfs/dbraw/zinc/62/64/29/822626429.db2.gz PTSHHQISOQGXSN-OAHLLOKOSA-N 1 0 384.442 4.056 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)Nc1c(F)cccc1F)[NH+]1CCCCC1 ZINC000048052042 822627171 /nfs/dbraw/zinc/62/71/71/822627171.db2.gz QDFSBRXFBKGMBZ-SFHVURJKSA-N 1 0 389.446 4.322 20 0 GIADRO CC[C@@H](NCC1(C[NH2+][C@@H](CC)c2nc(C)cs2)COC1)c1nc(C)cs1 ZINC000184398802 822628368 /nfs/dbraw/zinc/62/83/68/822628368.db2.gz QSFNANXRANWCCN-IYBDPMFKSA-N 1 0 394.610 4.015 20 0 GIADRO C[C@H]([NH2+][C@H]1CCN(C(=O)C2CCCCC2)C1)c1nc2ccc(Cl)cc2n1C ZINC000180155150 822628415 /nfs/dbraw/zinc/62/84/15/822628415.db2.gz KKFMYIOBYOAKBT-YOEHRIQHSA-N 1 0 388.943 4.059 20 0 GIADRO COc1ccc([C@H](C)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)cc1OC ZINC000180155352 822628608 /nfs/dbraw/zinc/62/86/08/822628608.db2.gz ANKGGLPCQWSNDP-SFHVURJKSA-N 1 0 395.547 4.409 20 0 GIADRO c1cn(CCc2ccncc2)nc1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180157894 822629184 /nfs/dbraw/zinc/62/91/84/822629184.db2.gz DARJYGIDSDSWDD-NOTZXAQLSA-N 1 0 387.531 4.128 20 0 GIADRO CC[NH+](CC)Cc1cccc(CN[C@H](c2cnn(C)c2)c2cccc(F)c2)c1 ZINC000180157693 822629186 /nfs/dbraw/zinc/62/91/86/822629186.db2.gz AVSUPZGZCUGICM-QHCPKHFHSA-N 1 0 380.511 4.280 20 0 GIADRO CC(C)(C)OC(=O)c1ccc(C[NH2+]C2CCN(CCC(F)(F)F)CC2)cc1 ZINC000180168996 822631394 /nfs/dbraw/zinc/63/13/94/822631394.db2.gz VYUAHNJMMSTAIW-UHFFFAOYSA-N 1 0 386.458 4.148 20 0 GIADRO C[C@H](N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1noc(-c2ccccc2)n1 ZINC000180170734 822631729 /nfs/dbraw/zinc/63/17/29/822631729.db2.gz BHQOOOIYFPJDAA-AGOPTVSRSA-N 1 0 388.515 4.298 20 0 GIADRO C[C@H]([NH2+]CCc1nc(-c2cccc(Cl)c2)no1)c1nc2ccccc2n1C ZINC000180178007 822633162 /nfs/dbraw/zinc/63/31/62/822633162.db2.gz IBVJFHOBHAANEU-ZDUSSCGKSA-N 1 0 381.867 4.170 20 0 GIADRO CCOc1cccc(NC(=O)NC[C@@H](c2cccc(OC)c2)[NH+]2CCCC2)c1 ZINC000048118617 822634929 /nfs/dbraw/zinc/63/49/29/822634929.db2.gz DHUHORQWLCBXJQ-NRFANRHFSA-N 1 0 383.492 4.053 20 0 GIADRO COc1cc(NC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)ccc1C(F)(F)F ZINC000455331009 822635640 /nfs/dbraw/zinc/63/56/40/822635640.db2.gz PONHVFBOHIGEFS-ZDUSSCGKSA-N 1 0 385.430 4.052 20 0 GIADRO COc1ccccc1[C@@H](O)C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180190315 822635851 /nfs/dbraw/zinc/63/58/51/822635851.db2.gz KQTPRJKDOFFHQD-UNMCSNQZSA-N 1 0 378.428 4.016 20 0 GIADRO CN(Cc1c(C2CC2)nc2sccn12)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000180196906 822637446 /nfs/dbraw/zinc/63/74/46/822637446.db2.gz CHMCJONOJJFDNE-GOSISDBHSA-N 1 0 380.561 4.227 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1sccc1Br ZINC000048142781 822638464 /nfs/dbraw/zinc/63/84/64/822638464.db2.gz UQPYVOBKWFAEBB-UHFFFAOYSA-N 1 0 381.339 4.282 20 0 GIADRO COCc1c(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)sc2cccc(F)c21 ZINC000180202059 822638632 /nfs/dbraw/zinc/63/86/32/822638632.db2.gz FCTNTGTWJMQGJD-XLIONFOSSA-N 1 0 398.503 4.362 20 0 GIADRO O=C(CCc1ccc2[nH]ccc2c1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000180205724 822639221 /nfs/dbraw/zinc/63/92/21/822639221.db2.gz WCQCRZNVKGKUCS-UHFFFAOYSA-N 1 0 389.543 4.268 20 0 GIADRO COc1cc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)c(C)cc1C ZINC000455356912 822639487 /nfs/dbraw/zinc/63/94/87/822639487.db2.gz FBELSOZSABZTDS-QGZVFWFLSA-N 1 0 381.520 4.298 20 0 GIADRO Cc1oc2ccccc2c1C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000184462744 822640080 /nfs/dbraw/zinc/64/00/80/822640080.db2.gz SSEYANRZXKINAA-UHFFFAOYSA-N 1 0 378.472 4.198 20 0 GIADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)Nc3c4c(ccc3Cl)CC(C)(C)O4)C2)C1 ZINC000455360316 822640311 /nfs/dbraw/zinc/64/03/11/822640311.db2.gz UNDKRRHWUSDHNM-HXUWFJFHSA-N 1 0 377.916 4.003 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(Cc2ccc(Br)c3cccnc23)C1 ZINC000180215261 822640964 /nfs/dbraw/zinc/64/09/64/822640964.db2.gz DBAUYFPRRXMWDX-HNNXBMFYSA-N 1 0 376.342 4.161 20 0 GIADRO Cc1ccccc1-c1nc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000180216480 822641140 /nfs/dbraw/zinc/64/11/40/822641140.db2.gz BCRQWWVIYUUIGE-UHFFFAOYSA-N 1 0 392.528 4.160 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000180216764 822641147 /nfs/dbraw/zinc/64/11/47/822641147.db2.gz UDWQADJJXIXLRE-DNQXCXABSA-N 1 0 385.511 4.371 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000180216707 822641225 /nfs/dbraw/zinc/64/12/25/822641225.db2.gz UDWQADJJXIXLRE-ZEQRLZLVSA-N 1 0 385.511 4.371 20 0 GIADRO Cc1ccc2c(CC(=O)NCC3CCN(c4cc[nH+]cc4)CC3)coc2c1C ZINC000180219924 822641791 /nfs/dbraw/zinc/64/17/91/822641791.db2.gz PBTVIJOUUWOPAL-UHFFFAOYSA-N 1 0 377.488 4.020 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000180223751 822642651 /nfs/dbraw/zinc/64/26/51/822642651.db2.gz IICUESNYOSHZTI-DLBZAZTESA-N 1 0 387.886 4.010 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1ccc(Br)cc1Cl)c1cccs1 ZINC000048186295 822643236 /nfs/dbraw/zinc/64/32/36/822643236.db2.gz YHXTWCOADYPKFO-ZDUSSCGKSA-N 1 0 387.730 4.197 20 0 GIADRO Cc1ccc(OCc2ccccc2)c(NC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000455377358 822643231 /nfs/dbraw/zinc/64/32/31/822643231.db2.gz DJQUYZVAKLBXJH-QHCPKHFHSA-N 1 0 379.504 4.134 20 0 GIADRO CCCc1c(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)[nH]c(C)c1C(C)=O ZINC000048185609 822643284 /nfs/dbraw/zinc/64/32/84/822643284.db2.gz LOMSCGXDIQJZOI-HXUWFJFHSA-N 1 0 381.520 4.045 20 0 GIADRO Cc1cnc(CC[N@@H+](C)Cc2ccc(Br)c3cccnc23)s1 ZINC000180226985 822643507 /nfs/dbraw/zinc/64/35/07/822643507.db2.gz QBCCZWAPXPFRSZ-UHFFFAOYSA-N 1 0 376.323 4.437 20 0 GIADRO O=C([C@@H]1C[C@H]1c1cccc(Br)c1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000455389825 822645158 /nfs/dbraw/zinc/64/51/58/822645158.db2.gz WSVNCADYZOOXIV-GBESFXJTSA-N 1 0 391.353 4.030 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cc(C)n(-c2ccc(F)cc2)n1 ZINC000180240146 822646413 /nfs/dbraw/zinc/64/64/13/822646413.db2.gz CQCNZTOVEBOUHU-UHFFFAOYSA-N 1 0 394.494 4.044 20 0 GIADRO CC(=O)N1CC[C@H]([NH2+][C@H](C)c2cc(F)c(F)c(F)c2)c2ccc(F)cc2C1 ZINC000184509027 822647512 /nfs/dbraw/zinc/64/75/12/822647512.db2.gz PAOCXATVPWXJOA-WYRIXSBYSA-N 1 0 380.385 4.387 20 0 GIADRO CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc3c(c2)OCCCO3)c2ccc(F)cc2C1 ZINC000184511806 822648079 /nfs/dbraw/zinc/64/80/79/822648079.db2.gz KXCOHSCQIFXETI-QVKFZJNVSA-N 1 0 398.478 4.131 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)Nc2ccc3c(c2)N(C)CC3)CC[N@@H+]1Cc1ccccc1 ZINC000180251437 822648330 /nfs/dbraw/zinc/64/83/30/822648330.db2.gz VZOLHJCXKMJFNA-PGRDOPGGSA-N 1 0 392.547 4.196 20 0 GIADRO Cc1cc(NC(=O)C[NH2+][C@@H](C)c2sc(-c3ccc(Cl)cc3)nc2C)on1 ZINC000184513257 822648443 /nfs/dbraw/zinc/64/84/43/822648443.db2.gz GDOYYMXPARXCCJ-NSHDSACASA-N 1 0 390.896 4.358 20 0 GIADRO O=C(NCCCCC[NH+]1CCCC1)N[C@@H](c1c[nH]c2ccccc21)C(F)(F)F ZINC000455412700 822648909 /nfs/dbraw/zinc/64/89/09/822648909.db2.gz QUNLWWIFDFJNCB-SFHVURJKSA-N 1 0 396.457 4.337 20 0 GIADRO CC[NH+](CC)CCN(CC(C)C)C(=O)Nc1cc(NC(=O)C(C)C)ccc1C ZINC000048256350 822649119 /nfs/dbraw/zinc/64/91/19/822649119.db2.gz FYAMFCAOPXVTHJ-UHFFFAOYSA-N 1 0 390.572 4.421 20 0 GIADRO C[C@@H]([NH2+]CCC(=O)Nc1cc(N)ccc1F)c1nc(-c2ccccc2)cs1 ZINC000184522785 822650434 /nfs/dbraw/zinc/65/04/34/822650434.db2.gz MANYYMXMGZWXSK-CYBMUJFWSA-N 1 0 384.480 4.211 20 0 GIADRO CCCc1c(C(=O)NCc2ccccc2C[NH+]2CCCC2)[nH]c(C)c1C(C)=O ZINC000048276632 822650936 /nfs/dbraw/zinc/65/09/36/822650936.db2.gz CKRVCZSASFSGKO-UHFFFAOYSA-N 1 0 381.520 4.004 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@@H]1CCCc2occc21 ZINC000180266091 822651127 /nfs/dbraw/zinc/65/11/27/822651127.db2.gz ZYZXUPSKJILRHE-HXUWFJFHSA-N 1 0 382.508 4.000 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@H]1CCCc2occc21 ZINC000180266113 822651159 /nfs/dbraw/zinc/65/11/59/822651159.db2.gz ZYZXUPSKJILRHE-FQEVSTJZSA-N 1 0 382.508 4.000 20 0 GIADRO COc1ccc([C@H]([NH2+]CCCS(=O)(=O)c2ccccc2)c2ccccc2)cc1 ZINC000180267967 822651579 /nfs/dbraw/zinc/65/15/79/822651579.db2.gz IITPKARXZNQEMV-HSZRJFAPSA-N 1 0 395.524 4.238 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)CSCc1ccccn1)c1ccccc1Cl ZINC000048298767 822652333 /nfs/dbraw/zinc/65/23/33/822652333.db2.gz SMGSCSQAVKZJHI-IBGZPJMESA-N 1 0 391.968 4.168 20 0 GIADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)Nc3ccc4nc(C(F)F)sc4c3)C2)C1 ZINC000455430933 822652428 /nfs/dbraw/zinc/65/24/28/822652428.db2.gz JMCZVGRLQYKMFL-SFHVURJKSA-N 1 0 380.464 4.184 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc2c(c1)N(C)CC2 ZINC000180275582 822652775 /nfs/dbraw/zinc/65/27/75/822652775.db2.gz UIKPDCXMXCNBOL-FQEVSTJZSA-N 1 0 392.547 4.055 20 0 GIADRO Cc1c(NC(=O)NCCCCC[NH+]2CCCC2)cnn1-c1ccc(Cl)cc1 ZINC000455435362 822653465 /nfs/dbraw/zinc/65/34/65/822653465.db2.gz SDQDGGSWMKIFAM-UHFFFAOYSA-N 1 0 389.931 4.222 20 0 GIADRO COc1ccc(NC(=O)C[NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)c(OC)c1 ZINC000180279955 822653920 /nfs/dbraw/zinc/65/39/20/822653920.db2.gz MMVRGZUZQZBCQK-JOCHJYFZSA-N 1 0 386.467 4.303 20 0 GIADRO Cc1ccnn1-c1ccccc1NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000184542183 822654495 /nfs/dbraw/zinc/65/44/95/822654495.db2.gz KSVBLRBNUFLHEP-UHFFFAOYSA-N 1 0 381.524 4.099 20 0 GIADRO C[NH+](C)Cc1cc(CNC(=O)c2ccc(Cl)cc2C(F)(F)F)ccc1F ZINC000184544382 822654592 /nfs/dbraw/zinc/65/45/92/822654592.db2.gz LEKBJRPRLQIPFF-UHFFFAOYSA-N 1 0 388.792 4.490 20 0 GIADRO O=C([C@@H]1CCn2ccnc2C1)N(Cc1ccccc1C(F)(F)F)C1CCCC1 ZINC000455444929 822655412 /nfs/dbraw/zinc/65/54/12/822655412.db2.gz KXYFLKWLAXEHGO-OAHLLOKOSA-N 1 0 391.437 4.436 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1ccc(C)c(NC(C)=O)c1 ZINC000048364797 822656664 /nfs/dbraw/zinc/65/66/64/822656664.db2.gz GRKGVMXYMGLNEH-UHFFFAOYSA-N 1 0 382.508 4.117 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)CCC(=O)c1ccc(F)cc1F)c1ccccc1 ZINC000048381734 822657945 /nfs/dbraw/zinc/65/79/45/822657945.db2.gz RATFQOVWZOKHDC-FQEVSTJZSA-N 1 0 388.458 4.127 20 0 GIADRO CCC(=O)Nc1ccc(NC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000048390384 822658648 /nfs/dbraw/zinc/65/86/48/822658648.db2.gz NKXVQSMPVBCUEP-KRWDZBQOSA-N 1 0 386.521 4.055 20 0 GIADRO Cc1ccnn1-c1ccccc1NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000184569620 822659012 /nfs/dbraw/zinc/65/90/12/822659012.db2.gz YWWFRPPVVCJSTN-AZUAARDMSA-N 1 0 395.551 4.299 20 0 GIADRO CN(C)C(=O)CCC[NH2+][C@@H](c1ccccc1)c1cc(Br)ccc1F ZINC000180300452 822659625 /nfs/dbraw/zinc/65/96/25/822659625.db2.gz GMDDNWGPCWMEMG-IBGZPJMESA-N 1 0 393.300 4.136 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCCc1cccc2cccnc21 ZINC000048402551 822659839 /nfs/dbraw/zinc/65/98/39/822659839.db2.gz GBQCOUWDESOTMQ-UHFFFAOYSA-N 1 0 390.531 4.117 20 0 GIADRO O[C@H](C[NH2+]C1CCN(Cc2ccncc2)CC1)c1ccc(-c2ccccc2)cc1 ZINC000184579924 822660683 /nfs/dbraw/zinc/66/06/83/822660683.db2.gz QYASOLNDZUQVNX-RUZDIDTESA-N 1 0 387.527 4.036 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)c1ccc(-c2ccccc2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000184586857 822661959 /nfs/dbraw/zinc/66/19/59/822661959.db2.gz SUMLJEOMSMLPER-GAJHUEQPSA-N 1 0 395.524 4.141 20 0 GIADRO Cc1c(NC(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)cccc1-c1ncco1 ZINC000455483837 822663322 /nfs/dbraw/zinc/66/33/22/822663322.db2.gz HEGHVCVLRRRWQK-JXFKEZNVSA-N 1 0 378.476 4.463 20 0 GIADRO COc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccc(Cl)c(F)c3)CC2)cc1 ZINC000048478428 822666257 /nfs/dbraw/zinc/66/62/57/822666257.db2.gz HZNVOBWRHUOTNJ-UHFFFAOYSA-N 1 0 391.874 4.228 20 0 GIADRO COc1cc([C@H](C)[NH2+]C2(c3ccccc3)CCC2)ccc1S(=O)(=O)C(F)F ZINC000180347080 822667545 /nfs/dbraw/zinc/66/75/45/822667545.db2.gz JXPDLNRNRHOMNB-AWEZNQCLSA-N 1 0 395.471 4.422 20 0 GIADRO Cc1ccc([C@@H](NC(=O)NC2CC[NH+](C3CCC3)CC2)c2ccccc2)cc1 ZINC000455506858 822668051 /nfs/dbraw/zinc/66/80/51/822668051.db2.gz ZZLBHFNSIRBEMQ-QHCPKHFHSA-N 1 0 377.532 4.401 20 0 GIADRO Cc1c(NC(=O)N(CC[NH+](C)C)Cc2ccccc2)cccc1-c1ncco1 ZINC000455516390 822669335 /nfs/dbraw/zinc/66/93/35/822669335.db2.gz VFAABGLFUMJHHK-UHFFFAOYSA-N 1 0 378.476 4.246 20 0 GIADRO O=C(Nc1ccc(Cl)cn1)C1CC[NH+](CCC(Cl)(Cl)Cl)CC1 ZINC000184636909 822669390 /nfs/dbraw/zinc/66/93/90/822669390.db2.gz RZQAGQXJBKZYOW-UHFFFAOYSA-N 1 0 385.122 4.146 20 0 GIADRO COc1cccc([C@@H](CNC(=O)Nc2cccc(-c3ncco3)c2C)[NH+](C)C)c1 ZINC000455524205 822670446 /nfs/dbraw/zinc/67/04/46/822670446.db2.gz ZVVNNXNNFRRDGR-HXUWFJFHSA-N 1 0 394.475 4.083 20 0 GIADRO COC[C@@H]([NH2+]Cc1ccc(OCc2ccccn2)cc1)c1ccc(F)c(F)c1 ZINC000180364262 822670637 /nfs/dbraw/zinc/67/06/37/822670637.db2.gz OFNAZLCEUZVJRD-JOCHJYFZSA-N 1 0 384.426 4.416 20 0 GIADRO CC1(C)Oc2ccc(NC(=O)NC[C@H](c3ccco3)[NH+]3CCCCC3)cc2O1 ZINC000048540442 822671004 /nfs/dbraw/zinc/67/10/04/822671004.db2.gz MXQNBTZKMGMRIR-MRXNPFEDSA-N 1 0 385.464 4.136 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)Cc2nc(-c3ccc(F)cc3)cs2)cc1 ZINC000184673387 822673986 /nfs/dbraw/zinc/67/39/86/822673986.db2.gz HQXQGKHNILQDQK-UHFFFAOYSA-N 1 0 399.491 4.071 20 0 GIADRO CC(C)(CNC(=O)NC1CC[NH+](C2CCC2)CC1)c1c(F)cccc1Cl ZINC000455558353 822674448 /nfs/dbraw/zinc/67/44/48/822674448.db2.gz KAUSDYQOOPIZDE-UHFFFAOYSA-N 1 0 381.923 4.073 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cc(F)cc(F)c1F ZINC000455563128 822675077 /nfs/dbraw/zinc/67/50/77/822675077.db2.gz IOWZQYFKSYLSTB-OAHLLOKOSA-N 1 0 377.410 4.090 20 0 GIADRO COc1ccc(C[N@H+](C)Cc2cc(Cl)cc(OC)c2O)cc1OC(F)F ZINC000184678879 822675049 /nfs/dbraw/zinc/67/50/49/822675049.db2.gz MJKJWGFIXQSDHG-UHFFFAOYSA-N 1 0 387.810 4.296 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)N1CCC(c2ccc(Cl)cc2)CC1 ZINC000455564703 822675363 /nfs/dbraw/zinc/67/53/63/822675363.db2.gz QOQZJVVTYTVNHP-UHFFFAOYSA-N 1 0 375.944 4.246 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)N1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000455567409 822675736 /nfs/dbraw/zinc/67/57/36/822675736.db2.gz SZFLVQBKNMWIHW-LJQANCHMSA-N 1 0 393.984 4.233 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)Nc2cc(F)cc(F)c2F)CC1 ZINC000455568537 822675916 /nfs/dbraw/zinc/67/59/16/822675916.db2.gz QTMDHLQKTYYKHC-UHFFFAOYSA-N 1 0 377.410 4.232 20 0 GIADRO CC(C)[NH+]1CCC(N[C@H](C)c2ccc(OC[C@@H]3CCCCO3)c(F)c2)CC1 ZINC000180402086 822676030 /nfs/dbraw/zinc/67/60/30/822676030.db2.gz CDIVQVCGNQKUAS-XLIONFOSSA-N 1 0 378.532 4.297 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1)c1ccc2ccccc2c1 ZINC000184688072 822676554 /nfs/dbraw/zinc/67/65/54/822676554.db2.gz VGOZDDMTSOUZAY-MRXNPFEDSA-N 1 0 398.503 4.370 20 0 GIADRO CC(C)c1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCCS3(=O)=O)c(F)c2)cc1 ZINC000184687472 822676634 /nfs/dbraw/zinc/67/66/34/822676634.db2.gz VHZPQUYKDDHTMI-MRXNPFEDSA-N 1 0 390.524 4.340 20 0 GIADRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](c1ccccc1)c1ccccc1Br)CC2 ZINC000180409857 822676819 /nfs/dbraw/zinc/67/68/19/822676819.db2.gz GEROCKSJXYIPAM-OXJNMPFZSA-N 1 0 397.320 4.043 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)Cc2nc(-c3ccc(F)cc3)cs2)c1 ZINC000184689062 822677020 /nfs/dbraw/zinc/67/70/20/822677020.db2.gz NFPVERZFHQHSJJ-UHFFFAOYSA-N 1 0 397.519 4.260 20 0 GIADRO CC[C@@H](C)C(=O)Nc1cccc(C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000180420641 822678684 /nfs/dbraw/zinc/67/86/84/822678684.db2.gz XYENAWAAVLEVBD-IAGOWNOFSA-N 1 0 377.492 4.103 20 0 GIADRO CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@H](C)c2ccc(OC)c(NC(C)=O)c2)c1 ZINC000180421740 822678883 /nfs/dbraw/zinc/67/88/83/822678883.db2.gz ZHMGEZATINFSLW-JKSUJKDBSA-N 1 0 397.519 4.489 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1ccccc1C(F)(F)F ZINC000180423368 822679012 /nfs/dbraw/zinc/67/90/12/822679012.db2.gz GWJKAODJWZYRRA-UHFFFAOYSA-N 1 0 391.437 4.479 20 0 GIADRO Cc1ccccc1C(C)(C)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000180424096 822679240 /nfs/dbraw/zinc/67/92/40/822679240.db2.gz DWSIORDAQOTFSG-UHFFFAOYSA-N 1 0 379.548 4.442 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)Nc1cc(F)cc(F)c1F)[NH+]1CCCC1 ZINC000455588995 822679470 /nfs/dbraw/zinc/67/94/70/822679470.db2.gz PINJDUACGYUYHQ-KRWDZBQOSA-N 1 0 393.409 4.071 20 0 GIADRO CCCC[C@H]1CCC[C@@H]1[NH2+]Cc1nnc(C(=O)Nc2ccc(OC)cc2)s1 ZINC000184710383 822680381 /nfs/dbraw/zinc/68/03/81/822680381.db2.gz PBUYIUJKTXTVMB-YOEHRIQHSA-N 1 0 388.537 4.248 20 0 GIADRO Cc1ccc(C[NH2+]Cc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)s1 ZINC000048745005 822680666 /nfs/dbraw/zinc/68/06/66/822680666.db2.gz JPIGCGKXYIQXDV-UHFFFAOYSA-N 1 0 396.535 4.207 20 0 GIADRO Cc1scc(C(=O)Nc2ccnn2[C@H]2CC[N@H+](Cc3ccccc3)C2)c1C ZINC000180432250 822680674 /nfs/dbraw/zinc/68/06/74/822680674.db2.gz VLLJSGHGFRKFDZ-SFHVURJKSA-N 1 0 380.517 4.261 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)N[C@@H](c1ccccc1)C(F)F ZINC000455594792 822680885 /nfs/dbraw/zinc/68/08/85/822680885.db2.gz JBLIKQFQSVSZDI-WMZOPIPTSA-N 1 0 377.435 4.112 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1ccc(-n2cccc2)cc1 ZINC000180434263 822681065 /nfs/dbraw/zinc/68/10/65/822681065.db2.gz AKXNHNFDHYASRA-UHFFFAOYSA-N 1 0 388.515 4.251 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)C/C=C/c1cccc(F)c1 ZINC000180437012 822681730 /nfs/dbraw/zinc/68/17/30/822681730.db2.gz HMDREJUESUOGHE-HWKANZROSA-N 1 0 381.495 4.389 20 0 GIADRO c1csc(N2CCC([NH2+]CCOc3ccccc3-c3ccccc3)CC2)n1 ZINC000180437213 822681789 /nfs/dbraw/zinc/68/17/89/822681789.db2.gz ICOPKKFMXNHVRE-UHFFFAOYSA-N 1 0 379.529 4.448 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000180441589 822682573 /nfs/dbraw/zinc/68/25/73/822682573.db2.gz AJSSYWYSMNMXDY-CTNGQTDRSA-N 1 0 399.485 4.228 20 0 GIADRO COc1ccc(C[NH2+]Cc2cccc(NC(=O)c3ccc(F)cc3)c2)cc1OC ZINC000048781034 822682823 /nfs/dbraw/zinc/68/28/23/822682823.db2.gz HDMOTJOBTVEMKM-UHFFFAOYSA-N 1 0 394.446 4.385 20 0 GIADRO CC(C)(C)n1cc(C[NH2+]Cc2cccc(NC(=O)c3ccc(F)cc3)c2)cn1 ZINC000048781164 822682828 /nfs/dbraw/zinc/68/28/28/822682828.db2.gz QBYWJZHMICDFRT-UHFFFAOYSA-N 1 0 380.467 4.319 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1ccc(Cl)cc1F ZINC000180443974 822682990 /nfs/dbraw/zinc/68/29/90/822682990.db2.gz AZPMPLKNJPNCKE-UHFFFAOYSA-N 1 0 375.875 4.253 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1F ZINC000180444872 822683196 /nfs/dbraw/zinc/68/31/96/822683196.db2.gz RCTFLBZMGRIONJ-RTWAWAEBSA-N 1 0 399.485 4.228 20 0 GIADRO CC(C)c1csc([C@@H]2CCCN(C(=O)NCCCC[N@H+](C)C3CC3)C2)n1 ZINC000455605408 822683238 /nfs/dbraw/zinc/68/32/38/822683238.db2.gz HFWHUJVKXYGTLW-MRXNPFEDSA-N 1 0 378.586 4.030 20 0 GIADRO COc1ccccc1SC[C@@H](C)C[NH2+]C1CCN(c2nccs2)CC1 ZINC000180446634 822683585 /nfs/dbraw/zinc/68/35/85/822683585.db2.gz OWEICWNFWMNIII-HNNXBMFYSA-N 1 0 377.579 4.139 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)N[C@@H](c2ccccc2)C(F)F)C1 ZINC000455607945 822683581 /nfs/dbraw/zinc/68/35/81/822683581.db2.gz XIGJLGRPHYEITI-LMMKCTJWSA-N 1 0 379.495 4.289 20 0 GIADRO CC[C@H]([NH2+]CCOc1cccc(NC(C)=O)c1)c1ccccc1OC(F)F ZINC000180447329 822683785 /nfs/dbraw/zinc/68/37/85/822683785.db2.gz UOOLEJYURIXFDL-SFHVURJKSA-N 1 0 378.419 4.366 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(C2CC2)n1 ZINC000455608840 822683832 /nfs/dbraw/zinc/68/38/32/822683832.db2.gz BQJRHAZHPXPHAQ-LJQANCHMSA-N 1 0 378.520 4.335 20 0 GIADRO Cc1nn(-c2ccccc2)cc1CCC[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000048815459 822684247 /nfs/dbraw/zinc/68/42/47/822684247.db2.gz RQCKGIODMAYBID-UHFFFAOYSA-N 1 0 389.478 4.432 20 0 GIADRO COCc1ccc(CNC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000048826112 822684865 /nfs/dbraw/zinc/68/48/65/822684865.db2.gz ZLSZHDDTUWRKQY-LJQANCHMSA-N 1 0 395.547 4.207 20 0 GIADRO COCc1ccccc1CNC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000048826189 822684878 /nfs/dbraw/zinc/68/48/78/822684878.db2.gz RVFWQVDWGYBQCN-IBGZPJMESA-N 1 0 395.547 4.207 20 0 GIADRO CCc1cccc2c(C3CCN(C(=O)NCCCC[N@H+](C)C4CC4)CC3)c[nH]c21 ZINC000455615887 822684943 /nfs/dbraw/zinc/68/49/43/822684943.db2.gz ONGFXTFEMGNGLA-UHFFFAOYSA-N 1 0 396.579 4.494 20 0 GIADRO C[N@H+](CCCCNC(=O)N1CCC([C@H](F)c2ccccc2F)CC1)C1CC1 ZINC000455619255 822685336 /nfs/dbraw/zinc/68/53/36/822685336.db2.gz QWTUDDBWCRSNEY-FQEVSTJZSA-N 1 0 379.495 4.132 20 0 GIADRO Cc1nn(-c2cccc(Cl)c2)c(Cl)c1CN1CCS[C@@H]2COCC[C@@H]21 ZINC000180455430 822685463 /nfs/dbraw/zinc/68/54/63/822685463.db2.gz TZUGUPJZZJURII-DLBZAZTESA-N 1 0 398.359 4.194 20 0 GIADRO CC(C)[NH+]1CCC(Nc2ccc(CC(=O)N3CCCc4ccccc43)cc2)CC1 ZINC000180456027 822685506 /nfs/dbraw/zinc/68/55/06/822685506.db2.gz QGCMZVQEXMSRGC-UHFFFAOYSA-N 1 0 391.559 4.493 20 0 GIADRO CCCOc1c(Cl)cc(CN2CCS[C@H]3COCC[C@@H]32)cc1OCC ZINC000180457840 822685886 /nfs/dbraw/zinc/68/58/86/822685886.db2.gz HDFBNVMDMNNEAL-WMZOPIPTSA-N 1 0 385.957 4.234 20 0 GIADRO COc1cccc2[nH]cc(CC[NH2+]Cc3ccc(OC)c(OC(F)F)c3)c21 ZINC000180458573 822685899 /nfs/dbraw/zinc/68/58/99/822685899.db2.gz SUOIBKQGYKDLHX-UHFFFAOYSA-N 1 0 376.403 4.119 20 0 GIADRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCc1nc(-c2cccs2)no1 ZINC000184751697 822686128 /nfs/dbraw/zinc/68/61/28/822686128.db2.gz NTLYNXQEUNCQQK-HZPDHXFCSA-N 1 0 382.533 4.044 20 0 GIADRO CSCc1ccccc1NC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000184756136 822686574 /nfs/dbraw/zinc/68/65/74/822686574.db2.gz BLPHSDZXIQSEPN-UHFFFAOYSA-N 1 0 383.561 4.378 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)N[C@H]2CCCOc3cc(Cl)ccc32)c1 ZINC000180466767 822687165 /nfs/dbraw/zinc/68/71/65/822687165.db2.gz MMMKREBXMZCTCO-IBGZPJMESA-N 1 0 387.911 4.115 20 0 GIADRO CCOC(=O)Nc1ccc(OC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000184763608 822687733 /nfs/dbraw/zinc/68/77/33/822687733.db2.gz RGRHYHNFAOKHBS-UHFFFAOYSA-N 1 0 396.487 4.463 20 0 GIADRO CCCCn1cc(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c(C)n1 ZINC000184764411 822687877 /nfs/dbraw/zinc/68/78/77/822687877.db2.gz MFLBAXNUIWBQBA-UHFFFAOYSA-N 1 0 388.943 4.039 20 0 GIADRO C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)N(C)Cc1cc(F)c(F)c(F)c1 ZINC000180484642 822689607 /nfs/dbraw/zinc/68/96/07/822689607.db2.gz WBSGBMSXNYDCBY-AWEZNQCLSA-N 1 0 391.437 4.163 20 0 GIADRO CCN(C(=O)Nc1ccnn1CC[NH+](C)C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000455644107 822689890 /nfs/dbraw/zinc/68/98/90/822689890.db2.gz BWKGYLFGBXCKAZ-AWEZNQCLSA-N 1 0 397.445 4.079 20 0 GIADRO Oc1ccc(F)cc1C[NH2+]CC1(c2cccc(Br)c2)CCOCC1 ZINC000180493153 822690867 /nfs/dbraw/zinc/69/08/67/822690867.db2.gz RODGOLCJRSXTTE-UHFFFAOYSA-N 1 0 394.284 4.132 20 0 GIADRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CC(=O)N3CCC[C@@H](C)C3)s2)cc1 ZINC000184793018 822691857 /nfs/dbraw/zinc/69/18/57/822691857.db2.gz SZDMWUGPOKSABF-CABCVRRESA-N 1 0 387.549 4.036 20 0 GIADRO CCCOc1c(Cl)cc(C(=O)N2CCC(C[NH+](CC)CC)CC2)cc1OC ZINC000049075396 822692200 /nfs/dbraw/zinc/69/22/00/822692200.db2.gz SJPJOHGSIXRMRT-UHFFFAOYSA-N 1 0 396.959 4.331 20 0 GIADRO Cc1cc(OCCCC(=O)N2CCC(C[NH+]3CCCC3)CC2)ccc1Cl ZINC000049073359 822692203 /nfs/dbraw/zinc/69/22/03/822692203.db2.gz VANSGWHISBOOGA-UHFFFAOYSA-N 1 0 378.944 4.142 20 0 GIADRO COCCOc1ccc([C@@H](C)[NH2+]Cc2cc(Br)ccc2OC)cc1 ZINC000180504219 822692334 /nfs/dbraw/zinc/69/23/34/822692334.db2.gz KQKHHNBMZLELDZ-CQSZACIVSA-N 1 0 394.309 4.334 20 0 GIADRO COCc1cc([C@@H](C)[NH2+]Cc2cc(Br)ccc2OC)ccc1OC ZINC000180504371 822692409 /nfs/dbraw/zinc/69/24/09/822692409.db2.gz ZYEIDGDMSKFRQX-CYBMUJFWSA-N 1 0 394.309 4.464 20 0 GIADRO CC[NH+](CC)CC1CCN(C(=O)c2cc(Br)ccc2Cl)CC1 ZINC000049076359 822692426 /nfs/dbraw/zinc/69/24/26/822692426.db2.gz TUZPGXQHKKEHIC-UHFFFAOYSA-N 1 0 387.749 4.297 20 0 GIADRO C[NH+](C)Cc1c2ccccc2oc1C(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000180513835 822694457 /nfs/dbraw/zinc/69/44/57/822694457.db2.gz ZBOJBHXFKUGMMJ-AZUAARDMSA-N 1 0 398.890 4.408 20 0 GIADRO CN(C(=O)Nc1ccc([C@H]2CCOC2)cc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000455670741 822696583 /nfs/dbraw/zinc/69/65/83/822696583.db2.gz XDVRGLXZRQLDMD-INIZCTEOSA-N 1 0 399.457 4.071 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]Cc2cccc(OCC(F)F)c2)cc1NC(C)=O ZINC000180528098 822696706 /nfs/dbraw/zinc/69/67/06/822696706.db2.gz CGDVLBYWXFGPKA-CYBMUJFWSA-N 1 0 378.419 4.148 20 0 GIADRO Cc1nc(Cl)ccc1C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000184830704 822696735 /nfs/dbraw/zinc/69/67/35/822696735.db2.gz YMALHLGYKFXBOC-OAHLLOKOSA-N 1 0 385.817 4.095 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)/C=C/c1ccc(Cl)nc1)c1cccc(C(F)(F)F)c1 ZINC000184832506 822697113 /nfs/dbraw/zinc/69/71/13/822697113.db2.gz QMWWBPLHKXDTDO-MNDMWVCDSA-N 1 0 397.828 4.186 20 0 GIADRO NC(=O)c1cccc(CC[NH2+][C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)c1 ZINC000180530772 822697167 /nfs/dbraw/zinc/69/71/67/822697167.db2.gz PCONEHKWNQMLIS-GOSISDBHSA-N 1 0 395.503 4.258 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]CCc1cccc(C(N)=O)c1 ZINC000180532155 822697360 /nfs/dbraw/zinc/69/73/60/822697360.db2.gz BLEOCFYJTLZRNS-HNNXBMFYSA-N 1 0 379.529 4.419 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]CCc1cccc(C(N)=O)c1 ZINC000180531382 822697363 /nfs/dbraw/zinc/69/73/63/822697363.db2.gz JIASOWBGLYBLBQ-CYBMUJFWSA-N 1 0 383.492 4.250 20 0 GIADRO C[C@@H](CCNC(=O)Nc1ccc([C@@H]2CCOC2)cc1)[N@H+](C)Cc1ccccc1 ZINC000455674794 822697708 /nfs/dbraw/zinc/69/77/08/822697708.db2.gz PYKNSYVOHPDENS-GHTZIAJQSA-N 1 0 381.520 4.223 20 0 GIADRO Cc1nc2c(s1)[C@@H]([NH2+]C[C@H](c1cccc(Cl)c1)N1CCOCC1)CCC2 ZINC000180535596 822698104 /nfs/dbraw/zinc/69/81/04/822698104.db2.gz WMNXSUDBUCAQRY-PKOBYXMFSA-N 1 0 391.968 4.145 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cc3c(cn2)CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000455677174 822698356 /nfs/dbraw/zinc/69/83/56/822698356.db2.gz XJSJODGESRYTMM-UTKZUKDTSA-N 1 0 378.520 4.087 20 0 GIADRO CSc1nnc(CCC[NH2+][C@H](c2ccccc2)c2ccccn2)n1CC(C)C ZINC000180538682 822698650 /nfs/dbraw/zinc/69/86/50/822698650.db2.gz HIGOTAZNYAWGKX-OAQYLSRUSA-N 1 0 395.576 4.363 20 0 GIADRO COc1ccc([C@@H](NCC2([NH+](C)C)CCOCC2)c2ccccc2Cl)cc1 ZINC000180543169 822699339 /nfs/dbraw/zinc/69/93/39/822699339.db2.gz GXIBBZXGLDRYPA-OAQYLSRUSA-N 1 0 388.939 4.138 20 0 GIADRO C[C@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)c1cn(C)c2ccccc12 ZINC000184855597 822701333 /nfs/dbraw/zinc/70/13/33/822701333.db2.gz QDWXOZXRECDEEA-SFHVURJKSA-N 1 0 375.516 4.194 20 0 GIADRO COc1cccc([C@H](CNC(=O)Nc2cncc(Cl)c2C)[NH+]2CCCC2)c1 ZINC000455686800 822701410 /nfs/dbraw/zinc/70/14/10/822701410.db2.gz NKPIOCASCOPWBR-IBGZPJMESA-N 1 0 388.899 4.011 20 0 GIADRO COc1cc(F)cc(CNC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000180557290 822701868 /nfs/dbraw/zinc/70/18/68/822701868.db2.gz ZYZYBRSLVIJEDP-DYESRHJHSA-N 1 0 399.510 4.029 20 0 GIADRO C[C@H](CC(=O)c1ccccc1)NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000184864645 822702986 /nfs/dbraw/zinc/70/29/86/822702986.db2.gz HPBQSIAXHMPFIQ-LJQANCHMSA-N 1 0 378.516 4.066 20 0 GIADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)Nc1cncc(Cl)c1C ZINC000455690989 822703086 /nfs/dbraw/zinc/70/30/86/822703086.db2.gz YTFMEWWFEMMGAE-UHFFFAOYSA-N 1 0 380.945 4.481 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1ccc(-n2ccc(C)n2)cc1 ZINC000049635377 822703289 /nfs/dbraw/zinc/70/32/89/822703289.db2.gz ACIRVRQPAKNIRJ-UHFFFAOYSA-N 1 0 392.503 4.154 20 0 GIADRO Cc1cc2ncc([C@H](C)[NH2+][C@H]3CCc4c3cccc4Br)c(C)n2n1 ZINC000180563557 822703370 /nfs/dbraw/zinc/70/33/70/822703370.db2.gz LYTIZGFAXTXIED-SGTLLEGYSA-N 1 0 385.309 4.447 20 0 GIADRO Oc1ccc(F)cc1C[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000180567958 822703766 /nfs/dbraw/zinc/70/37/66/822703766.db2.gz OUZHJEZPRBQOEF-UHFFFAOYSA-N 1 0 394.284 4.132 20 0 GIADRO CC1(C(=O)OCc2nnc(-c3ccccc3)o2)CC[NH+](Cc2ccccc2)CC1 ZINC000184871173 822704389 /nfs/dbraw/zinc/70/43/89/822704389.db2.gz RPHZPSJBCZNNKZ-UHFFFAOYSA-N 1 0 391.471 4.082 20 0 GIADRO C[C@H](O)C[C@H](C)C[NH2+][C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000180600659 822708842 /nfs/dbraw/zinc/70/88/42/822708842.db2.gz JBWNTBOCGKJKRJ-GXZWQRSESA-N 1 0 375.896 4.197 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)N(C)[C@H]1CCc2ccccc21)[NH+]1CCCC1 ZINC000049790093 822709485 /nfs/dbraw/zinc/70/94/85/822709485.db2.gz WJBJFZSCXUIELI-FCHUYYIVSA-N 1 0 393.531 4.161 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)N(Cc1ccco1)Cc1ccccc1)c1cccc(F)c1 ZINC000049798393 822710184 /nfs/dbraw/zinc/71/01/84/822710184.db2.gz JGKVWMUSBMUGEO-JOCHJYFZSA-N 1 0 395.478 4.433 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)N([C@H](C)c3ccco3)C3CC3)c2)CC1 ZINC000184902260 822710287 /nfs/dbraw/zinc/71/02/87/822710287.db2.gz KYDLJUKWMXRQOX-QGZVFWFLSA-N 1 0 382.508 4.179 20 0 GIADRO COc1cccc([C@H](CNC(=O)N(C)[C@H]2CCCc3ccccc32)[NH+](C)C)c1 ZINC000049798664 822710261 /nfs/dbraw/zinc/71/02/61/822710261.db2.gz AKCUTRCHEZNMCQ-VXKWHMMOSA-N 1 0 381.520 4.017 20 0 GIADRO COc1cccc([C@@H](CNC(=O)N(C)Cc2csc3ccccc23)[NH+](C)C)c1 ZINC000049798837 822710283 /nfs/dbraw/zinc/71/02/83/822710283.db2.gz YTJJVKTVZQCSPT-HXUWFJFHSA-N 1 0 397.544 4.354 20 0 GIADRO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000180611755 822712118 /nfs/dbraw/zinc/71/21/18/822712118.db2.gz VUPBHDNLYXCUPG-SPLOXXLWSA-N 1 0 385.462 4.047 20 0 GIADRO CC(C)OCc1c2ccccc2oc1C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000049958605 822712685 /nfs/dbraw/zinc/71/26/85/822712685.db2.gz QHQZOBOAXXBBNC-QGZVFWFLSA-N 1 0 386.517 4.452 20 0 GIADRO C[C@H]1CCC[N@H+](CCCCNC(=O)Nc2cn(C)nc2C2CCCCC2)C1 ZINC000455719265 822712778 /nfs/dbraw/zinc/71/27/78/822712778.db2.gz SYUCEORWJBHZLX-KRWDZBQOSA-N 1 0 375.561 4.101 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccccc2OCCF)[C@H]1c1cccs1 ZINC000455720627 822713297 /nfs/dbraw/zinc/71/32/97/822713297.db2.gz GMPNFDISEYJMFE-BEFAXECRSA-N 1 0 391.512 4.301 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)Nc2nc(CC(F)(F)F)cs2)c1 ZINC000455721295 822713478 /nfs/dbraw/zinc/71/34/78/822713478.db2.gz JXWPTUGEJIFEPY-UHFFFAOYSA-N 1 0 386.443 4.021 20 0 GIADRO CCc1cccc(CC)c1NC(=O)C[NH2+][C@H](CC)c1ccc2c(c1)OCCO2 ZINC000180618256 822713577 /nfs/dbraw/zinc/71/35/77/822713577.db2.gz XSXMACKDHCHTJU-LJQANCHMSA-N 1 0 382.504 4.262 20 0 GIADRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)Nc2cn(C)nc2C2CCCCC2)C1 ZINC000455722720 822713860 /nfs/dbraw/zinc/71/38/60/822713860.db2.gz YXKPEVSHFOQPOA-ROUUACIJSA-N 1 0 389.588 4.347 20 0 GIADRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)Nc1ccc(F)c(F)c1F ZINC000050035802 822715429 /nfs/dbraw/zinc/71/54/29/822715429.db2.gz QMHZZAAVHVFRLZ-LBPRGKRZSA-N 1 0 383.439 4.199 20 0 GIADRO COc1ccc(Cl)c(NC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000050059724 822716610 /nfs/dbraw/zinc/71/66/10/822716610.db2.gz HDXLMOXUHJBYDQ-CQSZACIVSA-N 1 0 393.940 4.444 20 0 GIADRO Cc1cc2ccccc2c(NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1 ZINC000455741897 822717999 /nfs/dbraw/zinc/71/79/99/822717999.db2.gz MNRWZUUSSWMCCD-FGZHOGPDSA-N 1 0 381.520 4.038 20 0 GIADRO Cc1cc(Cl)c(NC(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)cc1C ZINC000455753081 822719866 /nfs/dbraw/zinc/71/98/66/822719866.db2.gz UQZGCVKNWDTHJH-UHFFFAOYSA-N 1 0 393.959 4.313 20 0 GIADRO O=C(C[NH2+][C@H](Cc1ccccc1)c1cccs1)N[C@H]1CCOc2ccccc21 ZINC000184975440 822720305 /nfs/dbraw/zinc/72/03/05/822720305.db2.gz OGDSOQLOPDDIDP-VQTJNVASSA-N 1 0 392.524 4.262 20 0 GIADRO CCCCn1cc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c(C)n1 ZINC000184976001 822720613 /nfs/dbraw/zinc/72/06/13/822720613.db2.gz BFSYZWYVYGCFHE-GGAORHGYSA-N 1 0 394.563 4.118 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]Cc2ccc(C(F)F)cc2)c1 ZINC000184989139 822722500 /nfs/dbraw/zinc/72/25/00/822722500.db2.gz BQCDPIXMTLDMDI-CYBMUJFWSA-N 1 0 378.419 4.148 20 0 GIADRO O=C(C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1)Nc1ccc2c(c1)OCCCO2 ZINC000050273730 822723285 /nfs/dbraw/zinc/72/32/85/822723285.db2.gz ATEHJZDUCJUGJD-OAQYLSRUSA-N 1 0 386.879 4.181 20 0 GIADRO C[C@H]([NH2+]C[C@@H]1CCN(c2ccccc2)C1)c1ccc(Br)cc1O ZINC000184998827 822723650 /nfs/dbraw/zinc/72/36/50/822723650.db2.gz GRGMEPKHRBOKAK-GJZGRUSLSA-N 1 0 375.310 4.332 20 0 GIADRO O=C(CCCOc1ccccc1Cl)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000050290845 822723848 /nfs/dbraw/zinc/72/38/48/822723848.db2.gz VTEWADVNZPERDN-QGZVFWFLSA-N 1 0 376.884 4.045 20 0 GIADRO CC[C@H](C)n1c2ccc(NC(=O)N(C)CC[NH+](C)C)cc2nc1C(F)(F)F ZINC000455774071 822724034 /nfs/dbraw/zinc/72/40/34/822724034.db2.gz BAIJMMCFQCQEEK-LBPRGKRZSA-N 1 0 385.434 4.051 20 0 GIADRO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+][C@@H]2CCSc3c(F)cccc32)cc1 ZINC000185004625 822724265 /nfs/dbraw/zinc/72/42/65/822724265.db2.gz HFGCTEHVDTWNRB-RDTXWAMCSA-N 1 0 379.522 4.123 20 0 GIADRO O=C(c1ccn(-c2ccccc2Cl)n1)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000050333093 822726150 /nfs/dbraw/zinc/72/61/50/822726150.db2.gz NRTNRUAXLRQSMO-QGZVFWFLSA-N 1 0 392.890 4.151 20 0 GIADRO Cn1cc(-c2cc(C[N@@H+]3CC[C@@H](Oc4ccc(Cl)c(Cl)c4)C3)on2)cn1 ZINC000185024749 822726454 /nfs/dbraw/zinc/72/64/54/822726454.db2.gz NLLDLDZYTFDBMA-CQSZACIVSA-N 1 0 393.274 4.035 20 0 GIADRO CSc1cccc(C)c1NC(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000185026661 822726779 /nfs/dbraw/zinc/72/67/79/822726779.db2.gz FHTBDXJTFHUWQY-CALCHBBNSA-N 1 0 391.581 4.070 20 0 GIADRO CC[C@H](C)n1c2ccc(NC(=O)N3CC[C@H]([NH+](C)C)C3)cc2nc1C(F)(F)F ZINC000455797819 822728481 /nfs/dbraw/zinc/72/84/81/822728481.db2.gz RARZVRLUCYSEBE-JSGCOSHPSA-N 1 0 397.445 4.194 20 0 GIADRO Cn1cc(-c2cc(C[NH+]3CCC(c4ccc(C(F)(F)F)cc4)CC3)on2)cn1 ZINC000185046993 822728985 /nfs/dbraw/zinc/72/89/85/822728985.db2.gz XIKMKFCABOYHSV-UHFFFAOYSA-N 1 0 390.409 4.474 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)Nc2ncc(C3CCOCC3)s2)CC1 ZINC000455806324 822729697 /nfs/dbraw/zinc/72/96/97/822729697.db2.gz XZZTZFYPBIZZJT-UHFFFAOYSA-N 1 0 394.585 4.013 20 0 GIADRO Cn1cc(-c2cc(C[NH2+]C3(c4cccc(C(F)(F)F)c4)CCC3)on2)cn1 ZINC000185054808 822729954 /nfs/dbraw/zinc/72/99/54/822729954.db2.gz VKGKTJJFSIPDBH-UHFFFAOYSA-N 1 0 376.382 4.263 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]Cc1cc(-c2cnn(C)c2)no1 ZINC000185062524 822731384 /nfs/dbraw/zinc/73/13/84/822731384.db2.gz CDRACWGVKRGCFZ-LBPRGKRZSA-N 1 0 397.479 4.497 20 0 GIADRO CCCn1ncc(NC(=O)NC[C@H](CC)[N@@H+]2CCc3ccccc3C2)c1C1CC1 ZINC000455828933 822733134 /nfs/dbraw/zinc/73/31/34/822733134.db2.gz MCGKZCUHIVETPJ-FQEVSTJZSA-N 1 0 395.551 4.129 20 0 GIADRO CCCn1ncc(NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1C1CC1 ZINC000455831989 822733472 /nfs/dbraw/zinc/73/34/72/822733472.db2.gz OEOUFAOHBKNSGC-UHFFFAOYSA-N 1 0 381.524 4.088 20 0 GIADRO O=C(CCCOc1ccccc1Cl)NC1CC[NH+](CC2CCCC2)CC1 ZINC000050628758 822735160 /nfs/dbraw/zinc/73/51/60/822735160.db2.gz YDCPFJQZBOIUKQ-UHFFFAOYSA-N 1 0 378.944 4.270 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)NCc3c(F)cccc3N3CCCC3)ccc21 ZINC000455841649 822735282 /nfs/dbraw/zinc/73/52/82/822735282.db2.gz DWSDKVMHDXZUAF-NRFANRHFSA-N 1 0 396.510 4.297 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)NC(C)(C)COCc3ccccc3)ccc21 ZINC000455844986 822735871 /nfs/dbraw/zinc/73/58/71/822735871.db2.gz HQIFZTGKJBXWMD-NRFANRHFSA-N 1 0 381.520 4.352 20 0 GIADRO CCOc1ccc([C@H](COC)NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)cc1 ZINC000455853850 822737524 /nfs/dbraw/zinc/73/75/24/822737524.db2.gz MNHFEEUYYZDPGH-FCHUYYIVSA-N 1 0 397.519 4.143 20 0 GIADRO CCCCSc1ccc(Cl)cc1C(=O)NCCCC[NH+]1CCOCC1 ZINC000185105410 822737813 /nfs/dbraw/zinc/73/78/13/822737813.db2.gz OMEXOZSMBJEAEU-UHFFFAOYSA-N 1 0 384.973 4.074 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)NCCc3ccc(F)c(F)c3F)ccc21 ZINC000455858231 822738295 /nfs/dbraw/zinc/73/82/95/822738295.db2.gz PEBUTBNXZHDCNV-KRWDZBQOSA-N 1 0 377.410 4.017 20 0 GIADRO COc1ccc(O)c([C@H](C)[NH2+]CC2(c3cccc(Cl)c3)CCOCC2)c1 ZINC000185113515 822738814 /nfs/dbraw/zinc/73/88/14/822738814.db2.gz NRDZJFPXOXBPCN-HNNXBMFYSA-N 1 0 375.896 4.453 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CCCN(c4ccccc4F)CC3)ccc21 ZINC000455862435 822738865 /nfs/dbraw/zinc/73/88/65/822738865.db2.gz RQAWZPONSRMBDS-NRFANRHFSA-N 1 0 396.510 4.119 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CCO[C@@H](c4ccc(Cl)cc4)C3)ccc21 ZINC000455865134 822739217 /nfs/dbraw/zinc/73/92/17/822739217.db2.gz TZMVMNWNSDPYPO-LEWJYISDSA-N 1 0 399.922 4.494 20 0 GIADRO CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000050860813 822740083 /nfs/dbraw/zinc/74/00/83/822740083.db2.gz UXTJCNDBIFKGHT-KMDXXIMOSA-N 1 0 392.543 4.277 20 0 GIADRO C[C@@H]1CN(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C[C@@H](c2ccsc2)O1 ZINC000455876132 822741066 /nfs/dbraw/zinc/74/10/66/822741066.db2.gz BCHFQWQMCSDIKV-UAOJZALGSA-N 1 0 385.533 4.291 20 0 GIADRO CCCOc1ccccc1Oc1ncccc1CNCc1c[nH+]ccc1N(C)C ZINC000185141406 822741996 /nfs/dbraw/zinc/74/19/96/822741996.db2.gz XGYMERTUGRRRDA-UHFFFAOYSA-N 1 0 392.503 4.414 20 0 GIADRO C[N@H+](CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1)C(C1CC1)C1CC1 ZINC000050989465 822743799 /nfs/dbraw/zinc/74/37/99/822743799.db2.gz YTWMAJLGGDJGSH-KRWDZBQOSA-N 1 0 383.517 4.139 20 0 GIADRO CC(C)NC(=O)Nc1ccc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000051012974 822744039 /nfs/dbraw/zinc/74/40/39/822744039.db2.gz HZFVTBMPVOKLOJ-UHFFFAOYSA-N 1 0 380.492 4.065 20 0 GIADRO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C(C)C)C1 ZINC000051053599 822745012 /nfs/dbraw/zinc/74/50/12/822745012.db2.gz NGXNTBBJDBYZFG-GBESFXJTSA-N 1 0 387.568 4.154 20 0 GIADRO CC(C)(C)C(=O)N1CCC(C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)CC1 ZINC000185170567 822745098 /nfs/dbraw/zinc/74/50/98/822745098.db2.gz POYBTJYLULEQIU-SFHVURJKSA-N 1 0 378.582 4.014 20 0 GIADRO CCOC(=O)CCc1ccc(NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)cc1 ZINC000455901757 822745276 /nfs/dbraw/zinc/74/52/76/822745276.db2.gz GEMDGDQUGJSXDO-OAQYLSRUSA-N 1 0 395.503 4.375 20 0 GIADRO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000051059395 822745363 /nfs/dbraw/zinc/74/53/63/822745363.db2.gz HEZMOTLHUKYWER-INIZCTEOSA-N 1 0 375.900 4.123 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCc3cc(Br)cs3)ccc21 ZINC000455902863 822745440 /nfs/dbraw/zinc/74/54/40/822745440.db2.gz GKDFISGIXSHLJS-MRXNPFEDSA-N 1 0 394.338 4.381 20 0 GIADRO CN(Cc1nc(C(F)(F)F)cs1)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455902973 822745672 /nfs/dbraw/zinc/74/56/72/822745672.db2.gz GRRMQYONAUHBNC-CQSZACIVSA-N 1 0 398.454 4.375 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(C(F)(F)F)nc1Cl ZINC000185179871 822746155 /nfs/dbraw/zinc/74/61/55/822746155.db2.gz YQRWFDLMVCTTJC-WFASDCNBSA-N 1 0 397.828 4.004 20 0 GIADRO C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CCCN(c3nc4ccccc4s3)C2)cc1 ZINC000051084511 822746264 /nfs/dbraw/zinc/74/62/64/822746264.db2.gz PEQRDIKQMKTHTJ-QGZVFWFLSA-N 1 0 394.544 4.213 20 0 GIADRO C[N@@H+](Cc1nc(-c2ccc(F)cc2)no1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133701 822747775 /nfs/dbraw/zinc/74/77/75/822747775.db2.gz CWYQLBDVQNEMAJ-GHTZIAJQSA-N 1 0 381.451 4.475 20 0 GIADRO CO[C@H](CNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)c1ccc(Cl)cc1 ZINC000455923528 822750220 /nfs/dbraw/zinc/75/02/20/822750220.db2.gz MJSQCMVINGEPCB-VQTJNVASSA-N 1 0 387.911 4.398 20 0 GIADRO CO[C@@H](CNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)c1ccc(Cl)cc1 ZINC000455923527 822750253 /nfs/dbraw/zinc/75/02/53/822750253.db2.gz MJSQCMVINGEPCB-UXHICEINSA-N 1 0 387.911 4.398 20 0 GIADRO CO[C@@H](CNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)c1cccc(Cl)c1 ZINC000455925154 822750518 /nfs/dbraw/zinc/75/05/18/822750518.db2.gz MXGDJBUVXIOTGG-UXHICEINSA-N 1 0 387.911 4.398 20 0 GIADRO CC[C@H](O)CN(Cc1ccccc1)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455929953 822751409 /nfs/dbraw/zinc/75/14/09/822751409.db2.gz OMNUSFHEKLPMKQ-RBBKRZOGSA-N 1 0 381.520 4.041 20 0 GIADRO c1coc([C@H](CNc2nn3cc(-c4ccccc4)nc3s2)[NH+]2CCCC2)c1 ZINC000051235577 822751538 /nfs/dbraw/zinc/75/15/38/822751538.db2.gz QHYKJDKNYRIXIG-KRWDZBQOSA-N 1 0 379.489 4.300 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)NCc3cccc(OC(C)(C)C)n3)ccc21 ZINC000455933179 822752265 /nfs/dbraw/zinc/75/22/65/822752265.db2.gz QGXRRFHGXKYDRX-IBGZPJMESA-N 1 0 382.508 4.130 20 0 GIADRO COc1cc(C[N@H+](C[C@@H](O)c2ccc(F)cc2F)C2CC2)ccc1OC(F)F ZINC000051262189 822752555 /nfs/dbraw/zinc/75/25/55/822752555.db2.gz PEIBSTWJQQYVNE-QGZVFWFLSA-N 1 0 399.384 4.273 20 0 GIADRO COc1ccc(CCCN(C)C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)cc1 ZINC000455935242 822752838 /nfs/dbraw/zinc/75/28/38/822752838.db2.gz RJEUWSANVKHVAD-JOCHJYFZSA-N 1 0 381.520 4.341 20 0 GIADRO CC1=C(C)CN(C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)CC1 ZINC000455939646 822753654 /nfs/dbraw/zinc/75/36/54/822753654.db2.gz GUIYRIMPQMTVKO-UHFFFAOYSA-N 1 0 377.916 4.387 20 0 GIADRO C[C@@H]1CCN(C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)C[C@H]1C ZINC000455941647 822754243 /nfs/dbraw/zinc/75/42/43/822754243.db2.gz JOBIHXWOLNCPAJ-HUUCEWRRSA-N 1 0 379.932 4.323 20 0 GIADRO C[C@@H]1CN(C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)C(C)(C)C1 ZINC000455943661 822754757 /nfs/dbraw/zinc/75/47/57/822754757.db2.gz LMSXWNOOGQLOFN-AWEZNQCLSA-N 1 0 379.932 4.465 20 0 GIADRO CC(C)[C@H]1CCCN1C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000455943733 822754905 /nfs/dbraw/zinc/75/49/05/822754905.db2.gz LSISPAHXFDLXRS-GOSISDBHSA-N 1 0 379.932 4.465 20 0 GIADRO CC(C)COC[C@H](NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)c1ccco1 ZINC000455945563 822755421 /nfs/dbraw/zinc/75/54/21/822755421.db2.gz WJLWLMJZRPTQPA-VQTJNVASSA-N 1 0 385.508 4.364 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)NC3(CCOCc4ccccc4)CC3)ccc21 ZINC000455946049 822755577 /nfs/dbraw/zinc/75/55/77/822755577.db2.gz WONDGBIJSFENRP-QFIPXVFZSA-N 1 0 393.531 4.497 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCc3coc(-c4ccccc4)n3)ccc21 ZINC000455947120 822755860 /nfs/dbraw/zinc/75/58/60/822755860.db2.gz XJDOATQCXIZLFF-HXUWFJFHSA-N 1 0 376.460 4.212 20 0 GIADRO CC[C@@H](C(=O)N1CCC([NH2+][C@@H](C)c2cc(F)ccc2O)CC1)c1ccccc1 ZINC000185260159 822756108 /nfs/dbraw/zinc/75/61/08/822756108.db2.gz JKHRJQYKKMNDIK-OXJNMPFZSA-N 1 0 384.495 4.367 20 0 GIADRO C[C@@H]1C[C@H](C)CN(C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)C1 ZINC000455947330 822756113 /nfs/dbraw/zinc/75/61/13/822756113.db2.gz RKEZCLNUSQPWBZ-GASCZTMLSA-N 1 0 379.932 4.323 20 0 GIADRO CN(Cc1ccco1)C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000455950621 822756676 /nfs/dbraw/zinc/75/66/76/822756676.db2.gz XUFYLZJQIJBSCB-UHFFFAOYSA-N 1 0 377.872 4.070 20 0 GIADRO O=[N+]([O-])c1ccc(C[NH2+]CC2(c3ccc(F)cc3)CCOCC2)cc1Cl ZINC000185279503 822758749 /nfs/dbraw/zinc/75/87/49/822758749.db2.gz DVZGXGXYOIKZHI-UHFFFAOYSA-N 1 0 378.831 4.225 20 0 GIADRO COc1ccc(C[C@H](C)C[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)cc1F ZINC000185281121 822758828 /nfs/dbraw/zinc/75/88/28/822758828.db2.gz LZRTUOSBUKQKDX-HOTGVXAUSA-N 1 0 386.467 4.320 20 0 GIADRO Cc1ncc(C[N@H+](C)C[C@@H](O)CO[C@@H](c2ccccc2)c2ccc(C)cc2)s1 ZINC000051408090 822758844 /nfs/dbraw/zinc/75/88/44/822758844.db2.gz CIMDZJSEYZLYGP-GGAORHGYSA-N 1 0 396.556 4.359 20 0 GIADRO O=C(Nc1cc(Cl)cc(Br)c1)NC1CC([NH+]2CCCCC2)C1 ZINC000455969025 822758988 /nfs/dbraw/zinc/75/89/88/822758988.db2.gz KLSVMJSXUSBPOJ-UHFFFAOYSA-N 1 0 386.721 4.241 20 0 GIADRO O=C(Nc1ccc2cnccc2c1)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000455969047 822759014 /nfs/dbraw/zinc/75/90/14/822759014.db2.gz KPBZDPHZZZXQEY-DEOSSOPVSA-N 1 0 386.499 4.365 20 0 GIADRO CC1CC[NH+](C2CCC(NC(=O)[C@@H]3C[C@@H]3c3cc(F)c(F)c(F)c3)CC2)CC1 ZINC000185286454 822759843 /nfs/dbraw/zinc/75/98/43/822759843.db2.gz LJECVGVXKZYBJO-OPQOLIRYSA-N 1 0 394.481 4.367 20 0 GIADRO COc1ccccc1C1(C[NH2+]Cc2ccc(OCc3noc(C)n3)cc2)CCC1 ZINC000185294571 822760817 /nfs/dbraw/zinc/76/08/17/822760817.db2.gz ZKOHGCADRBSCDJ-UHFFFAOYSA-N 1 0 393.487 4.177 20 0 GIADRO Cc1ccccc1OCCCC(=O)Nc1ccc(C[NH2+]C2CCOCC2)cc1 ZINC000174274227 822761131 /nfs/dbraw/zinc/76/11/31/822761131.db2.gz JEHMGEOIWHDTOB-UHFFFAOYSA-N 1 0 382.504 4.061 20 0 GIADRO Cc1[nH]c2ccccc2c1C1CC[NH+](C[C@H](O)COCc2cccs2)CC1 ZINC000051473267 822761523 /nfs/dbraw/zinc/76/15/23/822761523.db2.gz RURKSAYDGDWMLB-SFHVURJKSA-N 1 0 384.545 4.295 20 0 GIADRO COc1ccc(C[C@@H](C)C[NH2+]CCc2nc(C(F)(F)F)cs2)cc1F ZINC000185297368 822761517 /nfs/dbraw/zinc/76/15/17/822761517.db2.gz TVLAQNOZBGXARD-LLVKDONJSA-N 1 0 376.419 4.321 20 0 GIADRO CC(C)Cc1ccc([C@H](C)[NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)cc1 ZINC000185300089 822762101 /nfs/dbraw/zinc/76/21/01/822762101.db2.gz HETVJEJUFMCAHP-SFHVURJKSA-N 1 0 386.561 4.276 20 0 GIADRO COc1ccc(C[C@@H](C)C[NH2+]C2CCN([C@H](C)c3ccncc3)CC2)cc1F ZINC000185308522 822763457 /nfs/dbraw/zinc/76/34/57/822763457.db2.gz LMTBTMHLJBPMED-QZTJIDSGSA-N 1 0 385.527 4.223 20 0 GIADRO C[C@H]([NH2+]C[C@](C)(O)c1cccc(Cl)c1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000185314161 822764401 /nfs/dbraw/zinc/76/44/01/822764401.db2.gz HIBXNMYSYHBRBC-QKKBWIMNSA-N 1 0 387.911 4.182 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)NCc2ccc(OCc3ccccc3F)cc2)CC[N@@H+]1C ZINC000185317845 822765063 /nfs/dbraw/zinc/76/50/63/822765063.db2.gz VYOULKNBFOSECS-FXAWDEMLSA-N 1 0 399.510 4.029 20 0 GIADRO C[C@H](c1ccc(C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)cc1)C(F)(F)F ZINC000456022460 822767679 /nfs/dbraw/zinc/76/76/79/822767679.db2.gz SSGCRDDJRSVZCO-CYBMUJFWSA-N 1 0 382.401 4.483 20 0 GIADRO C[C@@H](c1ccc(C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)cc1)C(F)(F)F ZINC000456022461 822767695 /nfs/dbraw/zinc/76/76/95/822767695.db2.gz SSGCRDDJRSVZCO-ZDUSSCGKSA-N 1 0 382.401 4.483 20 0 GIADRO Cc1ccc(C(=O)N(C)C[C@@H]2C[C@H](F)CN2Cc2cccs2)c(C2CC2)n1 ZINC000456027461 822768224 /nfs/dbraw/zinc/76/82/24/822768224.db2.gz RIVASSCOUYBJIG-IRXDYDNUSA-N 1 0 387.524 4.014 20 0 GIADRO Cc1nnc(C(=O)NCc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)s1 ZINC000185343442 822768721 /nfs/dbraw/zinc/76/87/21/822768721.db2.gz AJGLIYQQKKXOAI-UHFFFAOYSA-N 1 0 392.528 4.039 20 0 GIADRO CC(C)Cn1ncc(C(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)c1C1CC1 ZINC000185349496 822769424 /nfs/dbraw/zinc/76/94/24/822769424.db2.gz RUFGBKUPNOGBDL-QFIPXVFZSA-N 1 0 394.563 4.057 20 0 GIADRO CC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC(F)(F)F)cc2)c2ccc(F)cc2C1 ZINC000185350334 822769516 /nfs/dbraw/zinc/76/95/16/822769516.db2.gz GVWSZYMVRUTNBG-IBGZPJMESA-N 1 0 396.384 4.307 20 0 GIADRO Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000174315220 822769643 /nfs/dbraw/zinc/76/96/43/822769643.db2.gz CCIHTTOCAKPDRR-GOSISDBHSA-N 1 0 393.531 4.324 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1cccc(CC(F)(F)F)c1)c1cccc(F)c1 ZINC000174325331 822771271 /nfs/dbraw/zinc/77/12/71/822771271.db2.gz LHNGFUNEQFZZIM-QGZVFWFLSA-N 1 0 383.389 4.355 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(F)c(F)c1F ZINC000174326943 822771506 /nfs/dbraw/zinc/77/15/06/822771506.db2.gz UWUHGFBJZVGXPC-INIZCTEOSA-N 1 0 391.437 4.480 20 0 GIADRO C[C@@H]1CCN(C(=O)Nc2ccc(F)c(F)c2F)CC[N@@H+]1Cc1ccccc1 ZINC000174328279 822771633 /nfs/dbraw/zinc/77/16/33/822771633.db2.gz OZHRCHPOUXMUFD-CQSZACIVSA-N 1 0 377.410 4.232 20 0 GIADRO O=C(N[C@H](c1ccsc1)c1ccc(Cl)cc1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000174328427 822771829 /nfs/dbraw/zinc/77/18/29/822771829.db2.gz HGXWWQDKNWHCLP-OALUTQOASA-N 1 0 387.936 4.147 20 0 GIADRO CC(=O)N1CC[C@H]([NH2+]Cc2cccc(C(F)(F)F)c2)c2ccc(F)cc2C1 ZINC000185363095 822772137 /nfs/dbraw/zinc/77/21/37/822772137.db2.gz DHFIWHVXLAELSL-IBGZPJMESA-N 1 0 380.385 4.428 20 0 GIADRO CCC[C@@H]([NH2+]Cc1ccc(COC)cc1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000174332811 822772718 /nfs/dbraw/zinc/77/27/18/822772718.db2.gz NAPIKSFVPFYJBR-HSZRJFAPSA-N 1 0 395.547 4.330 20 0 GIADRO COCCCN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)C1CC[NH+](C)CC1 ZINC000456066259 822773652 /nfs/dbraw/zinc/77/36/52/822773652.db2.gz ODGFXOWRKCTJGT-DLBZAZTESA-N 1 0 399.362 4.056 20 0 GIADRO CCS[C@H]1CC[C@H]([N@H+](C)CC(=O)Nc2cc3c(cc2Cl)OCCCO3)C1 ZINC000174342073 822775116 /nfs/dbraw/zinc/77/51/16/822775116.db2.gz VLOAODXOOBWQGL-KBPBESRZSA-N 1 0 398.956 4.046 20 0 GIADRO C[C@@H](NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1ccc(-c2ccncc2)cc1 ZINC000174344014 822775441 /nfs/dbraw/zinc/77/54/41/822775441.db2.gz KCEMGVLZXKSYDP-XXBNENTESA-N 1 0 392.547 4.470 20 0 GIADRO Cc1ncsc1C[NH2+]C[C@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 ZINC000174346778 822775861 /nfs/dbraw/zinc/77/58/61/822775861.db2.gz YOKQUELRSSLAET-QGZVFWFLSA-N 1 0 379.957 4.047 20 0 GIADRO COc1ccccc1SC[C@H](C)C[NH2+]Cc1ccc(-n2cncn2)c(C)c1 ZINC000174347512 822776033 /nfs/dbraw/zinc/77/60/33/822776033.db2.gz YVNNVBXUYFNPNY-MRXNPFEDSA-N 1 0 382.533 4.102 20 0 GIADRO CC(C)[NH2+]C1CCN(C(=O)NCC[C@@H](C)c2cccc(C(F)(F)F)c2)CC1 ZINC000174363714 822778328 /nfs/dbraw/zinc/77/83/28/822778328.db2.gz RMZOQYMKIOETHE-OAHLLOKOSA-N 1 0 385.474 4.371 20 0 GIADRO C[NH+](C)CCn1ccc2ccc(NC(=O)CCC(=O)c3ccc(F)cc3F)cc21 ZINC000174367847 822779031 /nfs/dbraw/zinc/77/90/31/822779031.db2.gz OZDVOWXFYLQDGU-UHFFFAOYSA-N 1 0 399.441 4.083 20 0 GIADRO CC1CCC([N@H+](C)CC(=O)NCc2cccc(COCc3ccco3)c2)CC1 ZINC000051802349 822779284 /nfs/dbraw/zinc/77/92/84/822779284.db2.gz FLEKVUSCUZBKIY-UHFFFAOYSA-N 1 0 384.520 4.123 20 0 GIADRO COc1ccccc1[C@H]([NH2+]Cc1ccc(-n2cncn2)c(C)c1)c1ccccc1 ZINC000174371431 822779678 /nfs/dbraw/zinc/77/96/78/822779678.db2.gz HTNCEKUEHXCODZ-XMMPIXPASA-N 1 0 384.483 4.464 20 0 GIADRO Clc1ccc(-c2noc(CC[NH2+]C3CCN(Cc4ccccc4)CC3)n2)cc1 ZINC000174373323 822780112 /nfs/dbraw/zinc/78/01/12/822780112.db2.gz SVNLHNRECAQATM-UHFFFAOYSA-N 1 0 396.922 4.187 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000174379391 822780920 /nfs/dbraw/zinc/78/09/20/822780920.db2.gz XLOCYIFAPRRLHK-LJQANCHMSA-N 1 0 397.519 4.080 20 0 GIADRO Cc1cc(CNCC2([NH+]3CCCCC3)CCOCC2)c(OC(F)F)cc1C ZINC000174379756 822780928 /nfs/dbraw/zinc/78/09/28/822780928.db2.gz GWBOLPHXIIYYGT-UHFFFAOYSA-N 1 0 382.495 4.030 20 0 GIADRO Cc1ccc([C@H](CNC(=O)N[C@@H](C)c2nc(C3CCCCC3)no2)[NH+](C)C)cc1 ZINC000174384532 822781649 /nfs/dbraw/zinc/78/16/49/822781649.db2.gz UTTVPJRFIZZSCW-LPHOPBHVSA-N 1 0 399.539 4.089 20 0 GIADRO Cc1nnc(-c2cccc(NC(=O)[C@H]3CCC[N@H+](Cc4cccc(F)c4)C3)c2)o1 ZINC000174388636 822782170 /nfs/dbraw/zinc/78/21/70/822782170.db2.gz VPCHENDDVSUHIP-SFHVURJKSA-N 1 0 394.450 4.035 20 0 GIADRO CC(=O)Nc1ccc(C[NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)cc1 ZINC000174403747 822785388 /nfs/dbraw/zinc/78/53/88/822785388.db2.gz VAGNCMXLEPBPDT-HXUWFJFHSA-N 1 0 388.895 4.146 20 0 GIADRO CCCCNC(=O)c1ccc(C[NH2+]Cc2ccc(Oc3cnccn3)cc2)cc1 ZINC000174406490 822785960 /nfs/dbraw/zinc/78/59/60/822785960.db2.gz XSCJEMFYJMQELN-UHFFFAOYSA-N 1 0 390.487 4.089 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1ccc2c(c1)COC2)c1cccc(C(F)(F)F)c1 ZINC000185470103 822787807 /nfs/dbraw/zinc/78/78/07/822787807.db2.gz OWEMYJLIIZVUNK-GOSISDBHSA-N 1 0 393.409 4.160 20 0 GIADRO Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C[NH2+]C[C@@H]1CCC[C@@H](O)C1 ZINC000174426543 822788511 /nfs/dbraw/zinc/78/85/11/822788511.db2.gz NIPMTEYCYKLWMJ-NVXWUHKLSA-N 1 0 382.335 4.187 20 0 GIADRO COc1ccc(-c2noc(C[N@@H+]3CCC[C@H]3Cc3cccc(F)c3)n2)c(OC)c1 ZINC000052035195 822788851 /nfs/dbraw/zinc/78/88/51/822788851.db2.gz NYVHCKQIBMGNDQ-KRWDZBQOSA-N 1 0 397.450 4.100 20 0 GIADRO O[C@H]1CCC[C@@H](C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccs2)C1 ZINC000174429677 822789075 /nfs/dbraw/zinc/78/90/75/822789075.db2.gz WRYUQWXDGJIYOG-QUCCMNQESA-N 1 0 381.545 4.301 20 0 GIADRO OC1(c2ccccc2)CC[NH+](Cc2ccc(Br)c3cccnc23)CC1 ZINC000185483160 822789444 /nfs/dbraw/zinc/78/94/44/822789444.db2.gz ARPONIFIDGPKGF-UHFFFAOYSA-N 1 0 397.316 4.481 20 0 GIADRO Cc1cc2nn(CN3CCC[N@@H+](C(C)(C)C)CC3)c(=S)n2c2ccccc12 ZINC000052087320 822790162 /nfs/dbraw/zinc/79/01/62/822790162.db2.gz ZVQNCJMDYOZIST-UHFFFAOYSA-N 1 0 383.565 4.091 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)CCSc3ccc4c(c3)OCCO4)ccc21 ZINC000456254335 822790448 /nfs/dbraw/zinc/79/04/48/822790448.db2.gz BPUXAKRAUKRJNE-IBGZPJMESA-N 1 0 398.528 4.128 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)c3ccc(OC[C@H]4CCCO4)cc3)ccc21 ZINC000456255986 822790616 /nfs/dbraw/zinc/79/06/16/822790616.db2.gz CHMCRUKPGXAIDD-IRLDBZIGSA-N 1 0 380.488 4.046 20 0 GIADRO CCSCc1cc(C(=O)Nc2ccc(C[NH+]3CCSCC3)cc2C)no1 ZINC000185495463 822790790 /nfs/dbraw/zinc/79/07/90/822790790.db2.gz NUQIEONMQHKJRV-UHFFFAOYSA-N 1 0 391.562 4.037 20 0 GIADRO CCSCc1cc(C(=O)Nc2cc(C[NH+]3CCSCC3)ccc2C)no1 ZINC000185495669 822790801 /nfs/dbraw/zinc/79/08/01/822790801.db2.gz XAQREPWJJZYYEZ-UHFFFAOYSA-N 1 0 391.562 4.037 20 0 GIADRO CC(=O)c1ccc(OCCCC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)cc1 ZINC000456261162 822791256 /nfs/dbraw/zinc/79/12/56/822791256.db2.gz JEWJURINQZOWIC-QFIPXVFZSA-N 1 0 380.488 4.236 20 0 GIADRO COCC[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)c1cccc(C(F)(F)F)c1 ZINC000456261359 822791297 /nfs/dbraw/zinc/79/12/97/822791297.db2.gz GJFSNHMFEUVNPU-GOSISDBHSA-N 1 0 386.458 4.020 20 0 GIADRO CCc1nc(C)c([C@@H](C)N(C)C(=O)NCc2cccc(C[N@@H+](C)CC)c2)s1 ZINC000174450757 822791483 /nfs/dbraw/zinc/79/14/83/822791483.db2.gz AWNNXUIDIITFAB-MRXNPFEDSA-N 1 0 388.581 4.368 20 0 GIADRO O=C(NC[C@@H]1CCC[N@@H+](CC2CCC(C(F)(F)F)CC2)C1)c1ccccc1 ZINC000185506844 822791778 /nfs/dbraw/zinc/79/17/78/822791778.db2.gz PRMTYQIJRVGRGU-HFCFLWKCSA-N 1 0 382.470 4.497 20 0 GIADRO CCOc1ccc(C(=O)CCC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)cc1F ZINC000456274442 822792585 /nfs/dbraw/zinc/79/25/85/822792585.db2.gz MRMIAMSTGHXYCP-FQEVSTJZSA-N 1 0 398.478 4.375 20 0 GIADRO Cc1oc(-c2ccsc2)nc1CC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000456279238 822793386 /nfs/dbraw/zinc/79/33/86/822793386.db2.gz PQHKIQDQHPMCRB-LJQANCHMSA-N 1 0 381.501 4.442 20 0 GIADRO COCCOc1ccc(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)c(Cl)c1 ZINC000456280802 822793668 /nfs/dbraw/zinc/79/36/68/822793668.db2.gz QQRGZQKRXFJPAB-HXUWFJFHSA-N 1 0 388.895 4.166 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)c3cc(F)ccc3Br)ccc21 ZINC000456284090 822794071 /nfs/dbraw/zinc/79/40/71/822794071.db2.gz SUPIXDZSLWCONK-QGZVFWFLSA-N 1 0 377.257 4.389 20 0 GIADRO Cn1cccc1C[NH2+]C1(c2ccc(OCc3ccccc3)cc2)CCOCC1 ZINC000174471100 822794693 /nfs/dbraw/zinc/79/46/93/822794693.db2.gz GVNDTOOBCPWIOR-UHFFFAOYSA-N 1 0 376.500 4.400 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc3ccccc3n2Cc2ccccc2F)C1 ZINC000174489922 822796194 /nfs/dbraw/zinc/79/61/94/822796194.db2.gz SWTWWSPMCMVNIT-GOSISDBHSA-N 1 0 393.506 4.243 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(-c3nc4ccccc4s3)s2)C1 ZINC000174494271 822796597 /nfs/dbraw/zinc/79/65/97/822796597.db2.gz QMQGHMQVCHQQDJ-CQSZACIVSA-N 1 0 385.558 4.439 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)c3c[nH]c4ncc(Br)cc34)ccc21 ZINC000456311080 822797158 /nfs/dbraw/zinc/79/71/58/822797158.db2.gz KLAZVTPELSNZKU-QGZVFWFLSA-N 1 0 399.292 4.127 20 0 GIADRO CC[C@H](NC(=O)N[C@@H](C)C[NH+]1CCCCCC1)c1nc(C(F)(F)F)cs1 ZINC000185573423 822798020 /nfs/dbraw/zinc/79/80/20/822798020.db2.gz HMDZZAXMMOLMHM-STQMWFEESA-N 1 0 392.491 4.177 20 0 GIADRO COc1ccc2c(c1)c(C(=O)NC1C[C@H]3CC[C@@H](C1)[N@H+]3C)c(C)n2C1CCCC1 ZINC000456322819 822798343 /nfs/dbraw/zinc/79/83/43/822798343.db2.gz SSZIIJBCZUUKLB-JLYLLQBASA-N 1 0 395.547 4.428 20 0 GIADRO CC(C)OCCCNC(=O)C1CC[NH+]([C@@H](C)c2ccc(F)c(Cl)c2)CC1 ZINC000052441338 822799877 /nfs/dbraw/zinc/79/98/77/822799877.db2.gz XGIHUULIMUUFHI-HNNXBMFYSA-N 1 0 384.923 4.183 20 0 GIADRO CCC[NH+]1CCC(CNC(=O)N[C@@H](CC)c2nc(C(F)(F)F)cs2)CC1 ZINC000174521072 822800380 /nfs/dbraw/zinc/80/03/80/822800380.db2.gz MDEDQCWRSKYPEF-ZDUSSCGKSA-N 1 0 392.491 4.034 20 0 GIADRO Cc1ccccc1-c1cc(NC(=O)C2CC[NH+](C)CC2)n(Cc2ccccc2)n1 ZINC000174526217 822801004 /nfs/dbraw/zinc/80/10/04/822801004.db2.gz TZBIHQLIOROYNP-UHFFFAOYSA-N 1 0 388.515 4.187 20 0 GIADRO Cc1nc(C(F)(F)F)sc1C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000456349527 822801062 /nfs/dbraw/zinc/80/10/62/822801062.db2.gz VVRPFQIKQHVIFV-ZDUSSCGKSA-N 1 0 397.466 4.064 20 0 GIADRO C[NH+](C)C1(CNC(=O)N(CCc2ccccc2)Cc2cccnc2)CCCCC1 ZINC000052498241 822801825 /nfs/dbraw/zinc/80/18/25/822801825.db2.gz WYPNYBUCMHTTCY-UHFFFAOYSA-N 1 0 394.563 4.100 20 0 GIADRO C[N@H+](CCC(=O)Nc1ccccc1Br)Cc1ccc(F)cc1F ZINC000052506961 822802078 /nfs/dbraw/zinc/80/20/78/822802078.db2.gz SQPIGIIFVSTZNO-UHFFFAOYSA-N 1 0 383.236 4.188 20 0 GIADRO C[N@H+](CCC(=O)Nc1ccccc1Br)Cc1ccc(F)c(F)c1 ZINC000052518537 822802372 /nfs/dbraw/zinc/80/23/72/822802372.db2.gz LYTJYAGCABQYFJ-UHFFFAOYSA-N 1 0 383.236 4.188 20 0 GIADRO CCc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2c(C)nn(CC(F)(F)F)c2C)cc1 ZINC000185619032 822802998 /nfs/dbraw/zinc/80/29/98/822802998.db2.gz MWYCYNVTGNRMIN-OCCSQVGLSA-N 1 0 396.457 4.302 20 0 GIADRO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000174543247 822803065 /nfs/dbraw/zinc/80/30/65/822803065.db2.gz LJDSUPVSCMMXAU-LLVKDONJSA-N 1 0 380.319 4.340 20 0 GIADRO Cn1ccnc1C[NH2+][C@](C)(Cc1cccc(Br)c1)c1ccccc1 ZINC000174541264 822803093 /nfs/dbraw/zinc/80/30/93/822803093.db2.gz DOXKKWHJTXZPMI-HXUWFJFHSA-N 1 0 384.321 4.430 20 0 GIADRO Cn1cncc1C[NH2+][C@](C)(Cc1cccc(Br)c1)c1ccccc1 ZINC000174541366 822803152 /nfs/dbraw/zinc/80/31/52/822803152.db2.gz QBDMXHJDORSNRL-HXUWFJFHSA-N 1 0 384.321 4.430 20 0 GIADRO O=C(N1CC[C@@H](C[NH+]2CCCCC2)C1)C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000174545556 822803424 /nfs/dbraw/zinc/80/34/24/822803424.db2.gz KSEWMKGQENXILQ-INIZCTEOSA-N 1 0 380.454 4.071 20 0 GIADRO CC(C)n1cnnc1[C@H]1CCC[N@H+](CCOc2ccc(Cl)cc2Cl)C1 ZINC000174546964 822803547 /nfs/dbraw/zinc/80/35/47/822803547.db2.gz NMDJUFURBTZKLK-AWEZNQCLSA-N 1 0 383.323 4.424 20 0 GIADRO COc1ccc(Br)cc1CN1CCC[C@@H](c2nncn2C(C)C)C1 ZINC000174554446 822804378 /nfs/dbraw/zinc/80/43/78/822804378.db2.gz BGUPUTXZRCIFLR-CQSZACIVSA-N 1 0 393.329 4.010 20 0 GIADRO COc1ccc(S[C@@H](C)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000052590925 822804616 /nfs/dbraw/zinc/80/46/16/822804616.db2.gz AWZXQFFKJHEETD-KRWDZBQOSA-N 1 0 384.545 4.088 20 0 GIADRO COc1cc(C(=O)NCc2cccc(C[NH+](C)C)c2)ccc1OC1CCCC1 ZINC000052611320 822805208 /nfs/dbraw/zinc/80/52/08/822805208.db2.gz JRVAECCVDGZWTP-UHFFFAOYSA-N 1 0 382.504 4.008 20 0 GIADRO O=C(c1csc(-c2ccc(Cl)s2)n1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000174561484 822805231 /nfs/dbraw/zinc/80/52/31/822805231.db2.gz CEIAEGMXJWWUCO-ZDUSSCGKSA-N 1 0 395.981 4.473 20 0 GIADRO COc1ccc(Nc2ccccc2C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000174562151 822805321 /nfs/dbraw/zinc/80/53/21/822805321.db2.gz VAPSQQFONKDYJL-LJQANCHMSA-N 1 0 393.531 4.387 20 0 GIADRO Cc1cc(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c(C)n1Cc1ccccc1 ZINC000174566596 822805855 /nfs/dbraw/zinc/80/58/55/822805855.db2.gz COIPXMLJGNZJDD-QFIPXVFZSA-N 1 0 379.548 4.101 20 0 GIADRO CCOc1ccc(NC(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)cc1 ZINC000052635104 822805864 /nfs/dbraw/zinc/80/58/64/822805864.db2.gz WJCKPHHSUFQXAL-NRFANRHFSA-N 1 0 383.492 4.053 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(Cl)cc(Cl)n2)[C@@H]1c1cccs1 ZINC000185644788 822806044 /nfs/dbraw/zinc/80/60/44/822806044.db2.gz HMNNYCWKRHXEHM-MEDUHNTESA-N 1 0 384.332 4.263 20 0 GIADRO Cc1nc(C)c(C[NH2+][C@@H](Cc2ccccc2)C(=O)N(C)c2ccccc2)s1 ZINC000174568624 822806120 /nfs/dbraw/zinc/80/61/20/822806120.db2.gz WBQBRVNBCOPDKJ-FQEVSTJZSA-N 1 0 379.529 4.124 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1cc(C)cc(C)c1 ZINC000185646043 822806251 /nfs/dbraw/zinc/80/62/51/822806251.db2.gz CZDPKAFBHKVTLN-HIFRSBDPSA-N 1 0 396.457 4.357 20 0 GIADRO COc1ccc(-c2ccc(C[NH2+]Cc3ccccc3N3CCOCC3)cc2)cc1 ZINC000174574849 822807085 /nfs/dbraw/zinc/80/70/85/822807085.db2.gz NNOKNRSRZNNBKP-UHFFFAOYSA-N 1 0 388.511 4.489 20 0 GIADRO COc1ccc(C[NH2+]C[C@H](C)Oc2cccc(F)c2)cc1OCc1cccnc1 ZINC000174581111 822807999 /nfs/dbraw/zinc/80/79/99/822807999.db2.gz OLYAPNFQLZTDSL-KRWDZBQOSA-N 1 0 396.462 4.365 20 0 GIADRO C[N@@H+]1CCCN(c2ccc(NC(=O)c3ccc(F)c(Cl)c3F)cc2)CC1 ZINC000185666877 822808339 /nfs/dbraw/zinc/80/83/39/822808339.db2.gz MSCOKYBCDBXKBD-UHFFFAOYSA-N 1 0 379.838 4.012 20 0 GIADRO C[C@H](N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(=O)Nc1cccc2ccccc21 ZINC000185678500 822809409 /nfs/dbraw/zinc/80/94/09/822809409.db2.gz OMLJSIFXKBKYCJ-BJLQDIEVSA-N 1 0 379.548 4.409 20 0 GIADRO COc1ccc(-n2c(C[N@H+](C[C@H]3CCOC3)C3CC3)nc3ccccc32)cc1 ZINC000052774598 822810171 /nfs/dbraw/zinc/81/01/71/822810171.db2.gz SBQKHHILLKZWIP-QGZVFWFLSA-N 1 0 377.488 4.035 20 0 GIADRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000185688266 822810318 /nfs/dbraw/zinc/81/03/18/822810318.db2.gz GKMSARNTLPNRHJ-DTQAZKPQSA-N 1 0 399.516 4.088 20 0 GIADRO C[N@H+](CCSc1nnc(Cc2cccc(F)c2)o1)Cc1ccc(F)cc1 ZINC000185691377 822810548 /nfs/dbraw/zinc/81/05/48/822810548.db2.gz OTGFGFWBLFEZOI-UHFFFAOYSA-N 1 0 375.444 4.163 20 0 GIADRO Cc1cccc(CN(CC[NH+](C)C)C(=O)NCc2ccc(C(F)F)cc2)c1 ZINC000185691933 822810644 /nfs/dbraw/zinc/81/06/44/822810644.db2.gz WWIJPAPUOTVMOA-UHFFFAOYSA-N 1 0 375.463 4.206 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)NCc1ccc(C(F)F)cc1 ZINC000185696132 822811026 /nfs/dbraw/zinc/81/10/26/822811026.db2.gz PYBHNORSAIXIOF-UHFFFAOYSA-N 1 0 397.416 4.176 20 0 GIADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCc2ccc(C(F)F)cc2)C1 ZINC000185698549 822811276 /nfs/dbraw/zinc/81/12/76/822811276.db2.gz SGUBBKPFHXTRAY-WMZOPIPTSA-N 1 0 379.495 4.420 20 0 GIADRO CC(C)[C@@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(C(F)(F)F)c1 ZINC000174608531 822812000 /nfs/dbraw/zinc/81/20/00/822812000.db2.gz UDKNTMQAXNWLJQ-FGTMMUONSA-N 1 0 383.458 4.281 20 0 GIADRO COc1ccc(-c2noc([C@H](C)N[C@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)n2)cc1 ZINC000185712107 822813056 /nfs/dbraw/zinc/81/30/56/822813056.db2.gz INCGIPKKGXATEE-SOLBZPMBSA-N 1 0 384.524 4.049 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1oc(Br)cc1C)c1ccsc1 ZINC000052877895 822813827 /nfs/dbraw/zinc/81/38/27/822813827.db2.gz KNENIKXLBVFKEW-CYBMUJFWSA-N 1 0 385.327 4.225 20 0 GIADRO COc1ccccc1[C@H](C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)OC(C)C ZINC000185724839 822814741 /nfs/dbraw/zinc/81/47/41/822814741.db2.gz NVDHXKVHKINQQG-FQEVSTJZSA-N 1 0 392.540 4.150 20 0 GIADRO CC[N@H+](Cc1cccc(Cl)c1)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000052906646 822814934 /nfs/dbraw/zinc/81/49/34/822814934.db2.gz AKMMQLGSSNJBDP-GOSISDBHSA-N 1 0 390.874 4.399 20 0 GIADRO O=C(c1ccc(C[NH+]2CCSCC2)cc1)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000456552954 822815379 /nfs/dbraw/zinc/81/53/79/822815379.db2.gz FBQCYYQMMHKRNC-HXUWFJFHSA-N 1 0 382.529 4.196 20 0 GIADRO COc1ccc(CN[C@H]2CC[N@H+](CC3CCCC3)C2)cc1OCc1cccnc1 ZINC000174636364 822815768 /nfs/dbraw/zinc/81/57/68/822815768.db2.gz VFYLOXOENXCCCK-QFIPXVFZSA-N 1 0 395.547 4.023 20 0 GIADRO CC(C)N(Cc1ccccc1)C(=O)[C@H](C)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185748326 822817298 /nfs/dbraw/zinc/81/72/98/822817298.db2.gz SZPRKQKRLXHXIS-JAXLGGSGSA-N 1 0 385.596 4.055 20 0 GIADRO C[C@H](NCC(=O)Nc1c(Cl)cccc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185751898 822817584 /nfs/dbraw/zinc/81/75/84/822817584.db2.gz UGFOIUUYCMUXQO-UONOGXRCSA-N 1 0 384.351 4.175 20 0 GIADRO COc1ccc2cc(C(=O)N3CCC(C[NH+]4CCCCCC4)CC3)c(C)nc2c1 ZINC000052994070 822817994 /nfs/dbraw/zinc/81/79/94/822817994.db2.gz AGLIKNDWFNPWIK-UHFFFAOYSA-N 1 0 395.547 4.280 20 0 GIADRO CCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000052993759 822818043 /nfs/dbraw/zinc/81/80/43/822818043.db2.gz DABSVRSAOLPZPU-UONOGXRCSA-N 1 0 377.916 4.354 20 0 GIADRO Nc1c(Br)cc(Br)cc1C[NH2+]Cc1ccc(F)cc1 ZINC000185758471 822818348 /nfs/dbraw/zinc/81/83/48/822818348.db2.gz JVEXLMDOZAUPEL-UHFFFAOYSA-N 1 0 388.078 4.223 20 0 GIADRO CN1CCC[C@H](NC(=O)c2oc3ccccc3c2C[NH+](C)C)c2ccccc21 ZINC000456592812 822818658 /nfs/dbraw/zinc/81/86/58/822818658.db2.gz HZMFYTILNRBZBP-IBGZPJMESA-N 1 0 377.488 4.196 20 0 GIADRO O=C(NCC1(CCOCc2ccccc2)CC1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000185762057 822818774 /nfs/dbraw/zinc/81/87/74/822818774.db2.gz IIDSDZDROYKPSO-QFIPXVFZSA-N 1 0 399.579 4.033 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[N@H+](C)Cc2cccc3ccccc32)c1 ZINC000053017345 822818758 /nfs/dbraw/zinc/81/87/58/822818758.db2.gz BLOCIYWCBGAOGR-MRXNPFEDSA-N 1 0 375.472 4.257 20 0 GIADRO O=C(NCc1ccc(F)cc1)C1CC[NH+](Cc2cc(-c3ccccc3)no2)CC1 ZINC000053049731 822819698 /nfs/dbraw/zinc/81/96/98/822819698.db2.gz UDAIVWFOUSDKBX-UHFFFAOYSA-N 1 0 393.462 4.009 20 0 GIADRO CC(=O)Nc1ccc2c(C[N@@H+]3CCC[C@H]3Cc3cccc(F)c3)cc(=O)oc2c1 ZINC000053076283 822820531 /nfs/dbraw/zinc/82/05/31/822820531.db2.gz WYTYIQBTHAWDAK-FQEVSTJZSA-N 1 0 394.446 4.098 20 0 GIADRO Cc1c2cc(F)ccc2sc1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000053083818 822820774 /nfs/dbraw/zinc/82/07/74/822820774.db2.gz BROVIVIRGWNJQO-UHFFFAOYSA-N 1 0 383.492 4.138 20 0 GIADRO C[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)[C@@H]1CCCN(c2ccccc2)C1 ZINC000174677488 822822058 /nfs/dbraw/zinc/82/20/58/822822058.db2.gz BBEYIPGBTBLNJP-QGZVFWFLSA-N 1 0 391.437 4.245 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)C1(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000456681945 822822167 /nfs/dbraw/zinc/82/21/67/822822167.db2.gz IQOLCEVRVYVRBG-UHFFFAOYSA-N 1 0 380.454 4.161 20 0 GIADRO O=C(CSCc1ccc(Cl)cc1Cl)NC1CC[NH+](C2CCC2)CC1 ZINC000456682533 822822254 /nfs/dbraw/zinc/82/22/54/822822254.db2.gz KEWYZLDWAAARKT-UHFFFAOYSA-N 1 0 387.376 4.360 20 0 GIADRO C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000456686387 822822683 /nfs/dbraw/zinc/82/26/83/822822683.db2.gz TYUAWIILUCNOGA-IBGZPJMESA-N 1 0 392.543 4.178 20 0 GIADRO CCCCn1cc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c(C)n1 ZINC000185804799 822822848 /nfs/dbraw/zinc/82/28/48/822822848.db2.gz UXHWSGCSRLNHQV-WIYYLYMNSA-N 1 0 382.552 4.117 20 0 GIADRO CC(C)[NH+]1CCC(C(=O)Nc2ncccc2OCc2cccc(Cl)c2)CC1 ZINC000174688528 822823609 /nfs/dbraw/zinc/82/36/09/822823609.db2.gz VLKHGYWIAWKPLS-UHFFFAOYSA-N 1 0 387.911 4.373 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@@H+]1CCC[C@@H]1C1CCCCC1 ZINC000053211351 822826136 /nfs/dbraw/zinc/82/61/36/822826136.db2.gz AETGHWIXOCHXPO-OAQYLSRUSA-N 1 0 380.536 4.472 20 0 GIADRO CCCOc1ccc(C(=O)N(CC(C)C)C2CC[NH+](C)CC2)cc1OCC ZINC000053222685 822826699 /nfs/dbraw/zinc/82/66/99/822826699.db2.gz VBTVWBBFCCNTEM-UHFFFAOYSA-N 1 0 376.541 4.067 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)NCC2(c3ccccc3)CC2)[C@@H]1c1cccs1 ZINC000174709068 822826794 /nfs/dbraw/zinc/82/67/94/822826794.db2.gz DHLBJRXLAAJNFZ-YLJYHZDGSA-N 1 0 383.561 4.162 20 0 GIADRO Cc1ccc(NC(=O)c2cc3ccc(Cl)cc3[nH]2)cc1NC(=O)CC[NH+](C)C ZINC000185849391 822827120 /nfs/dbraw/zinc/82/71/20/822827120.db2.gz IVUOQZBGSBQICK-UHFFFAOYSA-N 1 0 398.894 4.272 20 0 GIADRO CCCCN(C)C(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2cccc3ccccc32)CC1 ZINC000053240393 822827603 /nfs/dbraw/zinc/82/76/03/822827603.db2.gz MMXJSWNTXJUTPB-SFHVURJKSA-N 1 0 395.547 4.137 20 0 GIADRO CC(C)(C)c1cccc(NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)c1O ZINC000185865324 822828296 /nfs/dbraw/zinc/82/82/96/822828296.db2.gz BIVBYATZOHYZOO-UHFFFAOYSA-N 1 0 396.531 4.146 20 0 GIADRO Cc1nc(COc2cccc(C(=O)NCCC[NH+]3CCCCCC3)c2)cs1 ZINC000053271689 822828729 /nfs/dbraw/zinc/82/87/29/822828729.db2.gz GRFKHPYEBXBHJF-UHFFFAOYSA-N 1 0 387.549 4.026 20 0 GIADRO O=C(CSc1ccc(F)c(F)c1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000053273334 822828753 /nfs/dbraw/zinc/82/87/53/822828753.db2.gz KLDQWPDPWDMEAF-MRXNPFEDSA-N 1 0 382.501 4.072 20 0 GIADRO COc1cc(OC)c(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccccc2C)cc1Cl ZINC000053279475 822828913 /nfs/dbraw/zinc/82/89/13/822828913.db2.gz MRKJTKKOGYYPMK-GOSISDBHSA-N 1 0 388.895 4.441 20 0 GIADRO Cc1nc(COc2cccc(C(=O)NCCC[N@H+]3CCCC[C@H]3C)c2)cs1 ZINC000053285534 822829269 /nfs/dbraw/zinc/82/92/69/822829269.db2.gz QYKCFOQHKBCBNW-MRXNPFEDSA-N 1 0 387.549 4.025 20 0 GIADRO CC(C)[NH+]1CCC(C(=O)Nc2cccc(C[S@](=O)C3CCCCC3)c2)CC1 ZINC000174731091 822829711 /nfs/dbraw/zinc/82/97/11/822829711.db2.gz MWKPIHAHMXTBJU-MHZLTWQESA-N 1 0 390.593 4.327 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)NCC(C)(C)c2c(Cl)cccc2Cl)CC[N@@H+]1C ZINC000174732678 822829949 /nfs/dbraw/zinc/82/99/49/822829949.db2.gz YJUXJBHGMNYAAO-KGLIPLIRSA-N 1 0 386.367 4.395 20 0 GIADRO Cc1cc(C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)c(C)n1C ZINC000456786974 822830872 /nfs/dbraw/zinc/83/08/72/822830872.db2.gz QNCIWRYQFUUUAH-UHFFFAOYSA-N 1 0 375.900 4.021 20 0 GIADRO Cc1ccc(CCC(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)o1 ZINC000456790626 822831436 /nfs/dbraw/zinc/83/14/36/822831436.db2.gz LHLQJJWMPIEDQD-UHFFFAOYSA-N 1 0 376.884 4.286 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)CCCc2nccs2)CC1 ZINC000456792656 822831577 /nfs/dbraw/zinc/83/15/77/822831577.db2.gz OWZIIURWKSUONN-UHFFFAOYSA-N 1 0 393.940 4.231 20 0 GIADRO CC(=O)CC(C)(C)CC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000456792764 822831585 /nfs/dbraw/zinc/83/15/85/822831585.db2.gz PGYDLZXHLXRDOT-UHFFFAOYSA-N 1 0 380.916 4.147 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)NC2(Cc3ccccc3)CCOCC2)cc1)C1CC1 ZINC000456796792 822831999 /nfs/dbraw/zinc/83/19/99/822831999.db2.gz WCIAUYSUSUJJEP-UHFFFAOYSA-N 1 0 392.543 4.193 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)CC[N@@H+]1C ZINC000174780137 822835899 /nfs/dbraw/zinc/83/58/99/822835899.db2.gz DFNFFBWFMRPMGJ-OXJNMPFZSA-N 1 0 395.507 4.277 20 0 GIADRO Cc1cc(C)n(-c2ccc(NC(=O)N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C(C)C)cc2F)n1 ZINC000174786067 822836667 /nfs/dbraw/zinc/83/66/67/822836667.db2.gz BOHAGGUWQKPSRE-MOPGFXCFSA-N 1 0 399.514 4.107 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)C[NH2+][C@@H](C)C2(c3ccccc3)CCCC2)c1 ZINC000185953609 822836833 /nfs/dbraw/zinc/83/68/33/822836833.db2.gz VMTWSOYPRBITIH-KRWDZBQOSA-N 1 0 379.504 4.074 20 0 GIADRO C[C@H]1C[C@H](NC(=O)Nc2cccc(-c3cc[nH]n3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000185965340 822838527 /nfs/dbraw/zinc/83/85/27/822838527.db2.gz FXRHCJDQBDHIAZ-LAUBAEHRSA-N 1 0 389.503 4.251 20 0 GIADRO CN(Cc1cccc(Cl)c1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000053523641 822838731 /nfs/dbraw/zinc/83/87/31/822838731.db2.gz OZZLFCHKFSJOQN-SFHVURJKSA-N 1 0 375.900 4.302 20 0 GIADRO CN(Cc1nc2ccccc2s1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000053523773 822838768 /nfs/dbraw/zinc/83/87/68/822838768.db2.gz MKLWLSNBQAEEGI-QGZVFWFLSA-N 1 0 398.532 4.258 20 0 GIADRO CN(Cc1c(F)cccc1Cl)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000053534860 822839397 /nfs/dbraw/zinc/83/93/97/822839397.db2.gz QJGLOLSGDOPQHA-KRWDZBQOSA-N 1 0 379.863 4.051 20 0 GIADRO CCc1ccc([C@H](CNC(=O)N(C)Cc2nc3ccccc3s2)[NH+](C)C)cc1 ZINC000053540560 822839890 /nfs/dbraw/zinc/83/98/90/822839890.db2.gz HEPBQRIWQXXSDX-IBGZPJMESA-N 1 0 396.560 4.303 20 0 GIADRO COc1cc(C[NH2+][C@@H](C)c2ccc(C)cc2O)cc(Br)c1OC ZINC000185978042 822840135 /nfs/dbraw/zinc/84/01/35/822840135.db2.gz RFKNYVXZIAQDDD-LBPRGKRZSA-N 1 0 380.282 4.331 20 0 GIADRO C[N@H+](Cc1ncc(-c2ccc(F)cc2)o1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000174826160 822842479 /nfs/dbraw/zinc/84/24/79/822842479.db2.gz ACGFYRXMRNTUHJ-UHFFFAOYSA-N 1 0 389.471 4.312 20 0 GIADRO CC1CC[NH+](Cc2ccc(NC(=O)c3cccc(Cn4ccnc4)c3)cc2)CC1 ZINC000053619162 822843052 /nfs/dbraw/zinc/84/30/52/822843052.db2.gz PDJYCXUHXCKWFV-UHFFFAOYSA-N 1 0 388.515 4.416 20 0 GIADRO COc1ccc(CCC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1F ZINC000053640395 822843492 /nfs/dbraw/zinc/84/34/92/822843492.db2.gz LASGPLXLQRCAOT-UHFFFAOYSA-N 1 0 384.495 4.069 20 0 GIADRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCN[C@@H](c3ccccc3)C2)c1 ZINC000456978688 822844352 /nfs/dbraw/zinc/84/43/52/822844352.db2.gz AFLXCEPHFBUKBY-RUZDIDTESA-N 1 0 399.538 4.105 20 0 GIADRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCN[C@H](c3ccccc3)C2)c1 ZINC000456978689 822844400 /nfs/dbraw/zinc/84/44/00/822844400.db2.gz AFLXCEPHFBUKBY-VWLOTQADSA-N 1 0 399.538 4.105 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)Nc2cccc(OCc3ccc(F)cc3)c2)CC[N@@H+]1C ZINC000174841615 822845022 /nfs/dbraw/zinc/84/50/22/822845022.db2.gz DDOKTTJWHHKJMK-OXJNMPFZSA-N 1 0 385.483 4.351 20 0 GIADRO O=C(Cc1csc(-c2ccccc2)n1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000053721477 822846047 /nfs/dbraw/zinc/84/60/47/822846047.db2.gz KQDHEXUVNSWOML-UHFFFAOYSA-N 1 0 391.540 4.087 20 0 GIADRO CC1(C(=O)N2CC[C@@H](Oc3cccc(F)c3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000186037660 822846141 /nfs/dbraw/zinc/84/61/41/822846141.db2.gz RMWQMWMMVQPWSP-JOCHJYFZSA-N 1 0 396.506 4.108 20 0 GIADRO O=S1(=O)CCCN1c1ccc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)cc1 ZINC000186038590 822846143 /nfs/dbraw/zinc/84/61/43/822846143.db2.gz NIXDAEKAWTZRBO-HXUWFJFHSA-N 1 0 390.936 4.121 20 0 GIADRO CC[C@@H](NC(=O)[C@@H](c1ccccc1)[N@H+](C)CC)c1nc(C(F)(F)F)cs1 ZINC000174856388 822847117 /nfs/dbraw/zinc/84/71/17/822847117.db2.gz ROEBNLADVDDCSY-UKRRQHHQSA-N 1 0 385.455 4.422 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ncoc2-c2ccc(F)cc2)[C@@H]1c1cccs1 ZINC000186050463 822847291 /nfs/dbraw/zinc/84/72/91/822847291.db2.gz NSTDYMRPFDCJIA-HNAYVOBHSA-N 1 0 399.491 4.355 20 0 GIADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000186056604 822847742 /nfs/dbraw/zinc/84/77/42/822847742.db2.gz QKRBHPUBSRIPJQ-OAHLLOKOSA-N 1 0 378.822 4.091 20 0 GIADRO COc1ccccc1OCC[NH2+][C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000053780475 822847864 /nfs/dbraw/zinc/84/78/64/822847864.db2.gz YDOLWYOPCWAHJQ-JOCHJYFZSA-N 1 0 376.456 4.044 20 0 GIADRO CC(=O)Nc1cc(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)ccc1F ZINC000053811519 822849108 /nfs/dbraw/zinc/84/91/08/822849108.db2.gz JUBKLVNSAQLBML-MRXNPFEDSA-N 1 0 397.494 4.089 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)c3scnc3Cl)cc2)C1 ZINC000053813278 822849142 /nfs/dbraw/zinc/84/91/42/822849142.db2.gz CGBISBZTDBMYRJ-OKILXGFUSA-N 1 0 377.941 4.204 20 0 GIADRO CN(C(=O)c1ccc(N2CCCCC2)cc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457063135 822849174 /nfs/dbraw/zinc/84/91/74/822849174.db2.gz BEYUDTNVEQXGKJ-UHFFFAOYSA-N 1 0 397.485 4.166 20 0 GIADRO CC(C)c1ccc(OCC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000457062505 822849206 /nfs/dbraw/zinc/84/92/06/822849206.db2.gz APNQAYOAVSDOAZ-UHFFFAOYSA-N 1 0 386.458 4.064 20 0 GIADRO Cc1cc(O)c(C(C)C)cc1C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457063964 822849378 /nfs/dbraw/zinc/84/93/78/822849378.db2.gz FZACAUKNOMJQPQ-UHFFFAOYSA-N 1 0 386.458 4.313 20 0 GIADRO CN(C(=O)Cc1cccc(C(F)F)c1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457066650 822849546 /nfs/dbraw/zinc/84/95/46/822849546.db2.gz JJCHSYGWALDXQR-UHFFFAOYSA-N 1 0 378.385 4.042 20 0 GIADRO CN(C(=O)C1=C(c2ccccc2)CCC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457067351 822849639 /nfs/dbraw/zinc/84/96/39/822849639.db2.gz KTQQZXVIFDPYMM-UHFFFAOYSA-N 1 0 380.454 4.499 20 0 GIADRO CN(C(=O)c1ccc(-c2cccs2)o1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457070932 822849954 /nfs/dbraw/zinc/84/99/54/822849954.db2.gz PRCRXNJUTLVVLF-UHFFFAOYSA-N 1 0 386.439 4.497 20 0 GIADRO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[NH+]1CCC(OCc2ccccc2)CC1 ZINC000053844707 822850461 /nfs/dbraw/zinc/85/04/61/822850461.db2.gz BJHKRBZECRTONP-GOSISDBHSA-N 1 0 384.495 4.026 20 0 GIADRO CN(C(=O)c1cccc(-c2cscn2)c1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457081120 822850868 /nfs/dbraw/zinc/85/08/68/822850868.db2.gz HJSPSPOPQIXKNN-UHFFFAOYSA-N 1 0 397.466 4.299 20 0 GIADRO CN(C(=O)Cc1ccc(Cl)cc1Cl)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457081911 822851126 /nfs/dbraw/zinc/85/11/26/822851126.db2.gz IGBZZFBZPYOWGT-UHFFFAOYSA-N 1 0 397.268 4.411 20 0 GIADRO CC[C@@H]1C[N@H+](CC(=O)Nc2ccc(NC(C)=O)cc2)CC[C@@H]1c1ccccc1 ZINC000174889990 822851308 /nfs/dbraw/zinc/85/13/08/822851308.db2.gz YYJQDJGOMCCPMS-GCJKJVERSA-N 1 0 379.504 4.099 20 0 GIADRO C[C@H](Cc1ccccc1Cl)C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457083338 822851359 /nfs/dbraw/zinc/85/13/59/822851359.db2.gz JVNGSUMYJUXUFT-CQSZACIVSA-N 1 0 390.877 4.394 20 0 GIADRO C[C@@H](CCc1ccccc1F)C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457087577 822852057 /nfs/dbraw/zinc/85/20/57/822852057.db2.gz QDSYNIRUABDAST-HNNXBMFYSA-N 1 0 388.449 4.270 20 0 GIADRO CCn1cc(C(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)c2ccccc21 ZINC000457089257 822852244 /nfs/dbraw/zinc/85/22/44/822852244.db2.gz STWCLEDAJCRXHO-UHFFFAOYSA-N 1 0 381.442 4.150 20 0 GIADRO CCn1c2ccccc2c2cc(NC(=O)[C@H](C)[NH+]3CCC(OC)CC3)ccc21 ZINC000053897484 822852273 /nfs/dbraw/zinc/85/22/73/822852273.db2.gz MBLIRJLDHQGVDM-INIZCTEOSA-N 1 0 379.504 4.252 20 0 GIADRO Cc1cccc(OCCCC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000457092322 822852697 /nfs/dbraw/zinc/85/26/97/822852697.db2.gz XGTOTSPESFMZOW-UHFFFAOYSA-N 1 0 386.458 4.029 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc(Br)cc1O)c1cn(-c2ccccc2)nn1 ZINC000186113414 822852780 /nfs/dbraw/zinc/85/27/80/822852780.db2.gz GBLHWBCTQAYACM-CHWSQXEVSA-N 1 0 387.281 4.147 20 0 GIADRO CC(C)[C@H](C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)c1ccc(F)cc1 ZINC000457093677 822852781 /nfs/dbraw/zinc/85/27/81/822852781.db2.gz YTFOXIZFIZGHNW-SFHVURJKSA-N 1 0 388.449 4.441 20 0 GIADRO CN(C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457094006 822852792 /nfs/dbraw/zinc/85/27/92/822852792.db2.gz ZBIALVRAGBQNCD-SJORKVTESA-N 1 0 388.861 4.319 20 0 GIADRO CCCCCC[NH2+][C@H](c1ccc(OC)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000174902099 822853012 /nfs/dbraw/zinc/85/30/12/822853012.db2.gz CJUKZLLEOABIFY-OAQYLSRUSA-N 1 0 375.534 4.358 20 0 GIADRO CCOc1cc(C[NH2+][C@H](c2ccccc2)C2CC2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000053954016 822854119 /nfs/dbraw/zinc/85/41/19/822854119.db2.gz HESGXJFKXGOWEN-GAJHUEQPSA-N 1 0 396.531 4.182 20 0 GIADRO Cc1oc2ccccc2c1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000186135580 822854588 /nfs/dbraw/zinc/85/45/88/822854588.db2.gz ZXHNODXTGQMHES-LEWJYISDSA-N 1 0 397.563 4.150 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000053968513 822855042 /nfs/dbraw/zinc/85/50/42/822855042.db2.gz NOFYVEJXNRERHQ-FUHWJXTLSA-N 1 0 382.470 4.444 20 0 GIADRO CCSCc1cc(C(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)no1 ZINC000186140644 822855219 /nfs/dbraw/zinc/85/52/19/822855219.db2.gz PPELQXPMEDYDLY-MRXNPFEDSA-N 1 0 379.570 4.044 20 0 GIADRO Cc1c2cc(Cl)ccc2oc1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000053990515 822855957 /nfs/dbraw/zinc/85/59/57/822855957.db2.gz OTBHFKUOYXSTML-UHFFFAOYSA-N 1 0 383.879 4.184 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)Nc2cccc(COc3cccc(F)c3)c2)CC[N@@H+]1C ZINC000174928588 822857109 /nfs/dbraw/zinc/85/71/09/822857109.db2.gz OHNMKIMXHDHWFN-OXQOHEQNSA-N 1 0 385.483 4.351 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000174927603 822857235 /nfs/dbraw/zinc/85/72/35/822857235.db2.gz ZBHCTLWPVWLSIW-INIZCTEOSA-N 1 0 394.412 4.439 20 0 GIADRO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000457160988 822858112 /nfs/dbraw/zinc/85/81/12/822858112.db2.gz BYTDPXWBDROTRR-UHFFFAOYSA-N 1 0 395.425 4.273 20 0 GIADRO C[N@H+](CCCCNC(=O)COc1c(Cl)cc(Cl)cc1Cl)C1CC1 ZINC000457160429 822858168 /nfs/dbraw/zinc/85/81/68/822858168.db2.gz BOXMDNRAXKCXFU-UHFFFAOYSA-N 1 0 379.715 4.016 20 0 GIADRO Cc1cc2cc(C(=O)NCCCC[N@@H+](C)C3CC3)oc2c(Br)c1 ZINC000457164221 822858265 /nfs/dbraw/zinc/85/82/65/822858265.db2.gz IGIQAPRDRIFBQC-UHFFFAOYSA-N 1 0 379.298 4.108 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1C[C@@H]1c1ccccc1Cl ZINC000174938342 822858411 /nfs/dbraw/zinc/85/84/11/822858411.db2.gz PEEIWUHFQGASND-CEWLAPEOSA-N 1 0 382.935 4.424 20 0 GIADRO Cc1cc2c(o1)c(C(=O)NCCCC[N@@H+](C)C1CC1)ccc2Br ZINC000457166654 822858426 /nfs/dbraw/zinc/85/84/26/822858426.db2.gz LIUKDGXKSCGJNU-UHFFFAOYSA-N 1 0 379.298 4.108 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cnc(-c2ccsc2)s1 ZINC000174942754 822858993 /nfs/dbraw/zinc/85/89/93/822858993.db2.gz MBOWVOWLBFJUIJ-KRWDZBQOSA-N 1 0 397.569 4.466 20 0 GIADRO COc1ccc(C)cc1[C@H](C)NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000054029923 822859548 /nfs/dbraw/zinc/85/95/48/822859548.db2.gz PIKLOJHJKJFQMG-SFHVURJKSA-N 1 0 381.520 4.028 20 0 GIADRO C[C@@H]1C[C@@H](C(=O)N2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000457192613 822859658 /nfs/dbraw/zinc/85/96/58/822859658.db2.gz DOJMAXZQMJRUBF-FGCOXFRFSA-N 1 0 398.591 4.485 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)c2ccc(N3CCC(C)=N3)cc2)c1 ZINC000054032687 822859787 /nfs/dbraw/zinc/85/97/87/822859787.db2.gz IEJFKYYWHPLKNF-UHFFFAOYSA-N 1 0 378.520 4.044 20 0 GIADRO CC(C)c1c(C(=O)NCCCC[N@H+](C)C2CC2)cnn1-c1cccc(Cl)c1 ZINC000457193309 822859826 /nfs/dbraw/zinc/85/98/26/822859826.db2.gz CXJFTNRAERFNIJ-UHFFFAOYSA-N 1 0 388.943 4.253 20 0 GIADRO COc1ccccc1[C@H](C)CC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174950395 822859954 /nfs/dbraw/zinc/85/99/54/822859954.db2.gz OPLHQPRPTSLYEA-TZIWHRDSSA-N 1 0 380.532 4.169 20 0 GIADRO O=C(c1ccsn1)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457194587 822860030 /nfs/dbraw/zinc/86/00/30/822860030.db2.gz MEJKBJZYABNUGF-OAQYLSRUSA-N 1 0 383.561 4.440 20 0 GIADRO C[C@H]([NH2+]Cc1cccnc1OCC(F)F)c1cc(Br)ccc1O ZINC000186198986 822860176 /nfs/dbraw/zinc/86/01/76/822860176.db2.gz AQERRDCCDYNHQW-JTQLQIEISA-N 1 0 387.224 4.044 20 0 GIADRO CN1CC[C@@H]([NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000186199905 822860184 /nfs/dbraw/zinc/86/01/84/822860184.db2.gz NYUIPFOKXVRMCY-VAZMBZEVSA-N 1 0 394.506 4.200 20 0 GIADRO C[C@](O)(CC(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000457198292 822860447 /nfs/dbraw/zinc/86/04/47/822860447.db2.gz YRRVJDYWIFDBGM-NOZRDPDXSA-N 1 0 398.591 4.221 20 0 GIADRO C[N@H+](CCCCNC(=O)C1(c2cccc(Br)c2)CCCC1)C1CC1 ZINC000457198704 822860505 /nfs/dbraw/zinc/86/05/05/822860505.db2.gz KFTPXTWOZMXWRP-UHFFFAOYSA-N 1 0 393.369 4.252 20 0 GIADRO CC[C@H](CC(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1)c1ccccc1 ZINC000186206222 822860877 /nfs/dbraw/zinc/86/08/77/822860877.db2.gz BRXMSUBEWRZBLP-GOSISDBHSA-N 1 0 381.520 4.408 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC000174956912 822861057 /nfs/dbraw/zinc/86/10/57/822861057.db2.gz CJUXNPBVWKEEOS-SFHVURJKSA-N 1 0 395.934 4.344 20 0 GIADRO CC[C@@H]([NH2+]C[C@H](CCO)c1ccccc1)c1cc(Br)ccc1O ZINC000186207759 822861060 /nfs/dbraw/zinc/86/10/60/822861060.db2.gz DLKXYIPMSFPUCT-MAUKXSAKSA-N 1 0 378.310 4.362 20 0 GIADRO Cc1cccc2c(CCC(=O)N(C)C[C@@H]3CC[N@H+](Cc4ccccc4)C3)c[nH]c21 ZINC000174957008 822861089 /nfs/dbraw/zinc/86/10/89/822861089.db2.gz LPZNHJOUJIFERS-NRFANRHFSA-N 1 0 389.543 4.389 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1sccc1Br ZINC000174960536 822861735 /nfs/dbraw/zinc/86/17/35/822861735.db2.gz IFUVSMSTQXPSGH-OAHLLOKOSA-N 1 0 393.350 4.105 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(OC(F)(F)F)cc1 ZINC000174964789 822862123 /nfs/dbraw/zinc/86/21/23/822862123.db2.gz REERFEABVHQKSB-QGZVFWFLSA-N 1 0 392.421 4.179 20 0 GIADRO Cc1ccc(-c2cc(C(=O)N(C)C[C@@H]3CC[N@H+](Cc4ccccc4)C3)on2)cc1 ZINC000174969127 822862543 /nfs/dbraw/zinc/86/25/43/822862543.db2.gz YYVBPOSZCJKACQ-FQEVSTJZSA-N 1 0 389.499 4.244 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000054119971 822862793 /nfs/dbraw/zinc/86/27/93/822862793.db2.gz CLFIAPZQAXURSV-SFTDATJTSA-N 1 0 386.898 4.363 20 0 GIADRO COc1ccccc1/C(C)=C/C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174971321 822862897 /nfs/dbraw/zinc/86/28/97/822862897.db2.gz SAQSNYNTFVIZMI-JENJNIGESA-N 1 0 378.516 4.079 20 0 GIADRO CC(C)c1nc([C@@H](C)[NH2+]C2CCN(CC(=O)Nc3ccccc3)CC2)cs1 ZINC000186232309 822863031 /nfs/dbraw/zinc/86/30/31/822863031.db2.gz OULKNRYMKYUCCL-MRXNPFEDSA-N 1 0 386.565 4.020 20 0 GIADRO CCCCOc1ccc(C(=O)Nc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)cc1 ZINC000186231668 822863096 /nfs/dbraw/zinc/86/30/96/822863096.db2.gz VGERQEIXCYXHAH-UHFFFAOYSA-N 1 0 397.519 4.316 20 0 GIADRO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000186233574 822863291 /nfs/dbraw/zinc/86/32/91/822863291.db2.gz IDKPAMRKGPSGSW-RDTXWAMCSA-N 1 0 379.909 4.006 20 0 GIADRO O=C(c1c[nH]c2ccccc12)[C@H](c1ccccc1)[NH+]1CCC(Cn2cncn2)CC1 ZINC000186239546 822863821 /nfs/dbraw/zinc/86/38/21/822863821.db2.gz WGVPPQBTKFPIOJ-QHCPKHFHSA-N 1 0 399.498 4.096 20 0 GIADRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H]2CCc3ccc(F)cc32)cc1 ZINC000174981028 822863929 /nfs/dbraw/zinc/86/39/29/822863929.db2.gz QNAIPWBWCUJLOH-VFNWGFHPSA-N 1 0 390.524 4.194 20 0 GIADRO CC(C)CCOc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccccn2)cc1 ZINC000174981710 822863993 /nfs/dbraw/zinc/86/39/93/822863993.db2.gz IQGOYQUTCOKWDW-UHFFFAOYSA-N 1 0 384.524 4.102 20 0 GIADRO Cc1ccc(NC(=O)C[C@@H](C)c2cccc(F)c2)cc1NC(=O)CC[NH+](C)C ZINC000186256231 822865747 /nfs/dbraw/zinc/86/57/47/822865747.db2.gz HDGSEEREYWPBBF-MRXNPFEDSA-N 1 0 385.483 4.157 20 0 GIADRO C[NH+](C)CC1(C(=O)N2CCC[C@H]2c2ccc(Br)cn2)CCCCC1 ZINC000457323572 822865760 /nfs/dbraw/zinc/86/57/60/822865760.db2.gz HQOBSXMUFABRPX-KRWDZBQOSA-N 1 0 394.357 4.020 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+][C@H]1CCCN(C(C)C)C1=O ZINC000175007755 822866378 /nfs/dbraw/zinc/86/63/78/822866378.db2.gz IPYGVIUCNUVOGX-GUYCJALGSA-N 1 0 375.513 4.308 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+][C@@H]1CCCN(C(C)C)C1=O ZINC000175007718 822866404 /nfs/dbraw/zinc/86/64/04/822866404.db2.gz IPYGVIUCNUVOGX-SUMWQHHRSA-N 1 0 375.513 4.308 20 0 GIADRO O=C(Nc1nccs1)C1CC[NH+](Cc2cc(Cl)cc3cccnc32)CC1 ZINC000054179216 822866405 /nfs/dbraw/zinc/86/64/05/822866405.db2.gz ZLPQHHREEGKPRR-UHFFFAOYSA-N 1 0 386.908 4.195 20 0 GIADRO CC1(C)[C@@H](c2ccccc2)CCN1C(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000568973478 822866859 /nfs/dbraw/zinc/86/68/59/822866859.db2.gz IKCCDNHITWIVHB-FGZHOGPDSA-N 1 0 377.532 4.088 20 0 GIADRO c1csc(C2([NH2+]CCCCCn3nnc(-c4ccccc4)n3)CCCC2)n1 ZINC000175011043 822866923 /nfs/dbraw/zinc/86/69/23/822866923.db2.gz BGIYUOZCZBAYNP-UHFFFAOYSA-N 1 0 382.537 4.026 20 0 GIADRO COc1cccc([C@@H](C)CC(=O)Nc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)c1 ZINC000186266885 822867223 /nfs/dbraw/zinc/86/72/23/822867223.db2.gz PGHKUJQTCLGIJM-KRWDZBQOSA-N 1 0 397.519 4.026 20 0 GIADRO CCS[C@@H]1CCCC[C@H]1NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000175013531 822867292 /nfs/dbraw/zinc/86/72/92/822867292.db2.gz XORPQHPGHBRASR-NHCUHLMSSA-N 1 0 389.609 4.357 20 0 GIADRO CC[C@@H](C(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1)c1ccc(OC)cc1 ZINC000186269227 822867759 /nfs/dbraw/zinc/86/77/59/822867759.db2.gz WJJLVHFMXOUNKV-HXUWFJFHSA-N 1 0 397.519 4.026 20 0 GIADRO C[C@H]([NH2+]Cc1coc(-c2cccc(F)c2)n1)C1CCN(CC(F)(F)F)CC1 ZINC000569014250 822869723 /nfs/dbraw/zinc/86/97/23/822869723.db2.gz OZAWGUSZLAKCPC-ZDUSSCGKSA-N 1 0 385.405 4.233 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)CSc2nc3ccccc3o2)CC1 ZINC000175024185 822869744 /nfs/dbraw/zinc/86/97/44/822869744.db2.gz CHFAZKGBBXIVDC-UHFFFAOYSA-N 1 0 395.528 4.043 20 0 GIADRO CCN1CCC([NH+]2CCC(C(=O)N[C@H](C)c3cc4ccccc4s3)CC2)CC1 ZINC000569017290 822869980 /nfs/dbraw/zinc/86/99/80/822869980.db2.gz NCALHYGCWRYFGR-QGZVFWFLSA-N 1 0 399.604 4.275 20 0 GIADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NC[C@@H](Cc1ccccc1)c1ccccc1 ZINC000569016004 822870106 /nfs/dbraw/zinc/87/01/06/822870106.db2.gz LAPOQYUWCDMHKG-HUVFLSCGSA-N 1 0 391.559 4.281 20 0 GIADRO [NH3+]C[C@H]1CCCN(C(=O)c2ccc(-c3ccc(Br)s3)s2)C1 ZINC000457368412 822870715 /nfs/dbraw/zinc/87/07/15/822870715.db2.gz YQXKKAARICWALP-SNVBAGLBSA-N 1 0 385.352 4.050 20 0 GIADRO CC[C@H](CC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1)c1ccc(OC)cc1 ZINC000457362005 822870378 /nfs/dbraw/zinc/87/03/78/822870378.db2.gz IUSDWEWIJJCHJE-HVETUWLQSA-N 1 0 384.495 4.061 20 0 GIADRO Cc1cc(C[NH3+])cc(NC(=O)CCCOc2cccc(Br)c2)c1 ZINC000457368133 822870771 /nfs/dbraw/zinc/87/07/71/822870771.db2.gz FQTGRBLVPMSBSG-UHFFFAOYSA-N 1 0 377.282 4.014 20 0 GIADRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000457373319 822871083 /nfs/dbraw/zinc/87/10/83/822871083.db2.gz KGSGCPUUWJPYPE-CTNGQTDRSA-N 1 0 379.504 4.353 20 0 GIADRO [NH3+][C@@H]1CN(C(=O)c2cc(C3CC3)nc3ccccc32)CC[C@H]1c1ccc(F)cc1 ZINC000457375290 822871320 /nfs/dbraw/zinc/87/13/20/822871320.db2.gz LHZSOYSCXATJLV-GHTZIAJQSA-N 1 0 389.474 4.208 20 0 GIADRO COc1ccc([C@@H]2CCN(C(=O)c3cccc(Cl)c3Cl)C[C@@H]2[NH3+])cc1F ZINC000457377053 822871371 /nfs/dbraw/zinc/87/13/71/822871371.db2.gz MKSTWRYNVQZZFP-LRDDRELGSA-N 1 0 397.277 4.098 20 0 GIADRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2c[nH]c(=S)n2-c2ccccc2)C1 ZINC000054260307 822871422 /nfs/dbraw/zinc/87/14/22/822871422.db2.gz STVBBGPQHKZUMY-HOTGVXAUSA-N 1 0 386.565 4.021 20 0 GIADRO CC[C@@H](c1cccc(OC)c1)N(C)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000569034061 822871431 /nfs/dbraw/zinc/87/14/31/822871431.db2.gz CCGLTVODAXOPMV-ROUUACIJSA-N 1 0 375.538 4.152 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)C[C@@H](C)c3ccc(OC)cc3)c(C)c2)CC1 ZINC000175042082 822872584 /nfs/dbraw/zinc/87/25/84/822872584.db2.gz ZCOOULJOEKUYDK-GOSISDBHSA-N 1 0 395.547 4.278 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)C[C@H](C)c3ccc(OC)cc3)c(C)c2)CC1 ZINC000175042106 822872615 /nfs/dbraw/zinc/87/26/15/822872615.db2.gz ZCOOULJOEKUYDK-SFHVURJKSA-N 1 0 395.547 4.278 20 0 GIADRO O=C(Cc1ccccc1OC1CCCC1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000457395755 822872783 /nfs/dbraw/zinc/87/27/83/822872783.db2.gz UTBZYFGBTWQXTF-HXUWFJFHSA-N 1 0 382.504 4.097 20 0 GIADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Cc2csc(-c3cccs3)n2)C1 ZINC000054286809 822873128 /nfs/dbraw/zinc/87/31/28/822873128.db2.gz JCCFEXGRDLXOFH-CQSZACIVSA-N 1 0 377.579 4.041 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1sc(C(C)(C)OC)nc1C)c1ccsc1 ZINC000569054361 822874446 /nfs/dbraw/zinc/87/44/46/822874446.db2.gz HPVBUKRYKHAIIB-HNNXBMFYSA-N 1 0 395.594 4.207 20 0 GIADRO CCN(C(=O)Cc1csc(-c2ccoc2)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186313601 822874900 /nfs/dbraw/zinc/87/49/00/822874900.db2.gz LERSNKPJYBTMFM-HXUWFJFHSA-N 1 0 395.528 4.069 20 0 GIADRO O=C(Nc1ccccc1NC(=O)C1C[NH+](C2CCCCC2)C1)c1ccccc1 ZINC000457437945 822875246 /nfs/dbraw/zinc/87/52/46/822875246.db2.gz IEQWXKMSXBFPFA-UHFFFAOYSA-N 1 0 377.488 4.142 20 0 GIADRO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)N1C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000457443707 822875416 /nfs/dbraw/zinc/87/54/16/822875416.db2.gz SRZSCUFJWRTMCQ-CRWXNKLISA-N 1 0 377.476 4.112 20 0 GIADRO CC(C)COC1CC[NH+](CC(=O)N(C)C(c2ccccc2)c2ccccc2)CC1 ZINC000054321936 822876145 /nfs/dbraw/zinc/87/61/45/822876145.db2.gz KZWMYNVMQMFDRK-UHFFFAOYSA-N 1 0 394.559 4.371 20 0 GIADRO Cc1cccc([C@@H]2CCCN2C(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)n1 ZINC000186325478 822876308 /nfs/dbraw/zinc/87/63/08/822876308.db2.gz SOUFFUYFEGDDLF-XZOQPEGZSA-N 1 0 392.547 4.147 20 0 GIADRO COc1ccc(C[NH2+]C[C@@H]2CCCO[C@H]2C(C)C)cc1OCc1cccnc1 ZINC000175063878 822876406 /nfs/dbraw/zinc/87/64/06/822876406.db2.gz PQWBKYGCXTYBJA-REWPJTCUSA-N 1 0 384.520 4.210 20 0 GIADRO C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000457452729 822876439 /nfs/dbraw/zinc/87/64/39/822876439.db2.gz RIPKPNZTWPTFBT-OWCLPIDISA-N 1 0 387.446 4.179 20 0 GIADRO C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)C1 ZINC000186327110 822876605 /nfs/dbraw/zinc/87/66/05/822876605.db2.gz RDPJIPGRNKOYGG-LEOXJPRUSA-N 1 0 392.547 4.085 20 0 GIADRO C[C@@H]([NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)[C@@H](c1ccccc1)N(C)C ZINC000186327477 822876752 /nfs/dbraw/zinc/87/67/52/822876752.db2.gz CUTFFXAHUBLMFG-WQUXRXDGSA-N 1 0 375.557 4.103 20 0 GIADRO C[C@H](NC(=O)C[NH+]1CCC2(CCC(O)CC2)CC1)c1cccc2ccccc21 ZINC000569070802 822876815 /nfs/dbraw/zinc/87/68/15/822876815.db2.gz CCPOFAQZKQWVFN-SFHVURJKSA-N 1 0 380.532 4.034 20 0 GIADRO CC[C@H](NC(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)c1nc(C)cs1 ZINC000186330386 822876960 /nfs/dbraw/zinc/87/69/60/822876960.db2.gz JBESQFIMYYGPJT-OALUTQOASA-N 1 0 386.565 4.112 20 0 GIADRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)N1CCC(OC2CCCC2)CC1)C1CC1 ZINC000186331963 822877289 /nfs/dbraw/zinc/87/72/89/822877289.db2.gz RNUFNOANAVCYCJ-QHCPKHFHSA-N 1 0 399.579 4.030 20 0 GIADRO CCN(C(=O)c1cnc2onc(C(C)C)c2c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186332198 822877393 /nfs/dbraw/zinc/87/73/93/822877393.db2.gz BLFNAKDDWBAFSV-IBGZPJMESA-N 1 0 392.503 4.083 20 0 GIADRO O=C(Nc1ccc(C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)s1)Nc1ccccc1 ZINC000175078454 822878449 /nfs/dbraw/zinc/87/84/49/822878449.db2.gz HXHSQZYOOWSRFW-QGZVFWFLSA-N 1 0 398.532 4.093 20 0 GIADRO CCCC(=O)Nc1cccc(CNC(=O)c2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000569086439 822878817 /nfs/dbraw/zinc/87/88/17/822878817.db2.gz CTNIUDHOOIHRHU-UHFFFAOYSA-N 1 0 393.531 4.341 20 0 GIADRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000569088934 822878948 /nfs/dbraw/zinc/87/89/48/822878948.db2.gz VZGPSCAWMFJYFS-STXHMFSFSA-N 1 0 398.469 4.162 20 0 GIADRO C[C@H]([NH2+]C1CCC(O)(c2cccnc2)CC1)c1ccc(F)c(Br)c1 ZINC000186344542 822878976 /nfs/dbraw/zinc/87/89/76/822878976.db2.gz WNHMXBYPGKMWRH-ISWZSGDOSA-N 1 0 393.300 4.464 20 0 GIADRO CN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2ccc3c(c2)COC(C)(C)O3)CC1 ZINC000186345159 822879041 /nfs/dbraw/zinc/87/90/41/822879041.db2.gz SSZCPWAQPAJQSA-UHFFFAOYSA-N 1 0 390.524 4.163 20 0 GIADRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000569088932 822879087 /nfs/dbraw/zinc/87/90/87/822879087.db2.gz VZGPSCAWMFJYFS-MDOVXXIYSA-N 1 0 398.469 4.162 20 0 GIADRO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)Nc1ccc2c(c1)OCO2 ZINC000054373707 822879341 /nfs/dbraw/zinc/87/93/41/822879341.db2.gz LGOXJAKLJKZNCO-QGZVFWFLSA-N 1 0 387.867 4.027 20 0 GIADRO CC(C)Nc1ncccc1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000175083775 822879424 /nfs/dbraw/zinc/87/94/24/822879424.db2.gz UJAQZPDAJKNJHD-QUCCMNQESA-N 1 0 380.536 4.027 20 0 GIADRO Cc1cccc(Oc2ccc(C(=O)N3CCC([NH+]4CCCCC4)CC3)nc2)c1 ZINC000457480345 822879651 /nfs/dbraw/zinc/87/96/51/822879651.db2.gz PHMHLHRMXGHFRW-UHFFFAOYSA-N 1 0 379.504 4.273 20 0 GIADRO C[C@@H]([NH2+]C1CCC(O)(c2cccnc2)CC1)c1ccc(F)cc1OC(F)F ZINC000186347900 822879710 /nfs/dbraw/zinc/87/97/10/822879710.db2.gz IUIOABNTHJXGGJ-CETSPDHXSA-N 1 0 380.410 4.303 20 0 GIADRO C[C@H]1CN(C(=O)NCc2ccccc2CN(C)Cc2ccco2)CCC1(F)F ZINC000569108586 822880356 /nfs/dbraw/zinc/88/03/56/822880356.db2.gz QLFZVNGBPLZSIG-INIZCTEOSA-N 1 0 391.462 4.098 20 0 GIADRO C[C@H]([NH2+]C1CCC(O)(c2cccnc2)CC1)c1ccc(Br)s1 ZINC000186354539 822880935 /nfs/dbraw/zinc/88/09/35/822880935.db2.gz MUNSSEKTQGSXHG-MKQDKFQKSA-N 1 0 381.339 4.387 20 0 GIADRO C[C@@H](NC(=O)N1CCN(c2cc[nH+]cc2)CC1)c1cc(F)c(Cl)cc1Cl ZINC000054391300 822881200 /nfs/dbraw/zinc/88/12/00/822881200.db2.gz WNIDFXKBJNTAIU-GFCCVEGCSA-N 1 0 397.281 4.120 20 0 GIADRO CCN(C(=O)c1cc(Br)co1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000457492793 822881343 /nfs/dbraw/zinc/88/13/43/822881343.db2.gz PPECIZCRAQGJGI-PBHICJAKSA-N 1 0 391.309 4.340 20 0 GIADRO CC[NH+](CC)CCOc1cc(NC(=O)c2cncc(Cl)c2C)ccc1OC ZINC000457501631 822882484 /nfs/dbraw/zinc/88/24/84/822882484.db2.gz JOXRMNVQJZBUDC-UHFFFAOYSA-N 1 0 391.899 4.025 20 0 GIADRO CC1(C)OCc2cc(C[NH2+]C3CCN(Cc4ccc(F)cc4)CC3)ccc2O1 ZINC000186367644 822882797 /nfs/dbraw/zinc/88/27/97/822882797.db2.gz OMESQCMRKDQDJN-UHFFFAOYSA-N 1 0 384.495 4.225 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1sc(C)cc1Br)c1ccco1 ZINC000457503699 822883031 /nfs/dbraw/zinc/88/30/31/822883031.db2.gz MSAFHXPQUILVBV-ZDUSSCGKSA-N 1 0 385.327 4.225 20 0 GIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2cccc(OC(F)F)c2)C1 ZINC000054410480 822883159 /nfs/dbraw/zinc/88/31/59/822883159.db2.gz PYQJBXRDDDHYRM-YOEHRIQHSA-N 1 0 375.419 4.245 20 0 GIADRO O=C([C@@H]1CCCN1Cc1ccc(F)cc1)N1CCC(Nc2ccc(F)cc2)CC1 ZINC000175110590 822884128 /nfs/dbraw/zinc/88/41/28/822884128.db2.gz IVKFNVSRAIAZRM-QFIPXVFZSA-N 1 0 399.485 4.032 20 0 GIADRO COc1ccccc1[C@H](C[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1)OC(C)C ZINC000186375110 822884191 /nfs/dbraw/zinc/88/41/91/822884191.db2.gz GKQVCKULKSIYKL-ZJEXDUHMSA-N 1 0 375.534 4.250 20 0 GIADRO COc1ccc(C[N@H+](CCC(=O)Nc2cc(Cl)ccc2OC)C2CC2)cc1 ZINC000054427718 822884151 /nfs/dbraw/zinc/88/41/51/822884151.db2.gz KXGWRRKVOHKDTO-UHFFFAOYSA-N 1 0 388.895 4.350 20 0 GIADRO CC[C@H]([NH2+][C@@H]1CCC[C@@H]2CN(C(C)=O)C[C@@H]21)c1cc(F)cc(Br)c1 ZINC000569149846 822884337 /nfs/dbraw/zinc/88/43/37/822884337.db2.gz QVJLNOILEZMHCM-WEZQJLTASA-N 1 0 397.332 4.276 20 0 GIADRO O=C(Nc1ncc(Cc2ccccc2)s1)NC1CC[NH+](C2CCCC2)CC1 ZINC000175111784 822884388 /nfs/dbraw/zinc/88/43/88/822884388.db2.gz OYVIOISBKGQJKK-UHFFFAOYSA-N 1 0 384.549 4.262 20 0 GIADRO Cc1c(Cl)cncc1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1C ZINC000457518043 822884763 /nfs/dbraw/zinc/88/47/63/822884763.db2.gz QFWUTAOWFHJQDQ-UHFFFAOYSA-N 1 0 375.925 4.153 20 0 GIADRO COc1ccccc1[C@H](C[NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C)OC(C)C ZINC000186379587 822884927 /nfs/dbraw/zinc/88/49/27/822884927.db2.gz HKVNDDHJDHOCKO-UCFCWBNQSA-N 1 0 397.563 4.057 20 0 GIADRO C[NH+]1CCC(Nc2ccccc2NC(=O)COCc2cccc(Cl)c2)CC1 ZINC000457521836 822885150 /nfs/dbraw/zinc/88/51/50/822885150.db2.gz LQQNYEXWGQPILB-UHFFFAOYSA-N 1 0 387.911 4.001 20 0 GIADRO COc1cc(CN2CC[C@H]([NH2+][C@H](C)c3csc(C(C)C)n3)C2)cc(OC)c1 ZINC000186380815 822885245 /nfs/dbraw/zinc/88/52/45/822885245.db2.gz ZJJGOOASECLEGK-WBVHZDCISA-N 1 0 389.565 4.209 20 0 GIADRO CCCOc1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)cc1OC ZINC000569155356 822885281 /nfs/dbraw/zinc/88/52/81/822885281.db2.gz CLLICJWXCMPWAM-VSKRKVRLSA-N 1 0 381.516 4.489 20 0 GIADRO COc1cc(OC)cc(N2CC[C@@H](C[NH2+][C@H](C)c3csc(C(C)C)n3)C2)c1 ZINC000186383143 822885473 /nfs/dbraw/zinc/88/54/73/822885473.db2.gz FBRAIYUVHWODOU-CVEARBPZSA-N 1 0 389.565 4.461 20 0 GIADRO CC(=O)Nc1ccc(Cl)c(NC(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000054446274 822886704 /nfs/dbraw/zinc/88/67/04/822886704.db2.gz ZYTPCXZEXZFZKM-OKILXGFUSA-N 1 0 394.947 4.176 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCC(F)(F)[C@@H](C)C2)C1 ZINC000569165489 822886915 /nfs/dbraw/zinc/88/69/15/822886915.db2.gz QWYZVOBSHOHGRT-SJORKVTESA-N 1 0 379.495 4.105 20 0 GIADRO O=C(c1ccc(Oc2cccc(F)c2)cn1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000457545635 822888545 /nfs/dbraw/zinc/88/85/45/822888545.db2.gz FLKWFYKUWNJCNQ-GOSISDBHSA-N 1 0 383.467 4.104 20 0 GIADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N2CC(C)(C)[C@@H]2C2CC2)CC1 ZINC000569175741 822889037 /nfs/dbraw/zinc/88/90/37/822889037.db2.gz VFNAVFGHDRBPFN-IBGZPJMESA-N 1 0 390.959 4.134 20 0 GIADRO Cc1nc(-c2ccc(CCNC(=O)NC(C)(C)CCC[NH+](C)C)s2)cs1 ZINC000457549871 822889456 /nfs/dbraw/zinc/88/94/56/822889456.db2.gz HUXMUIXZYICOIB-UHFFFAOYSA-N 1 0 394.610 4.142 20 0 GIADRO C[C@H]([NH2+][C@H]1CCO[C@@H](c2nccn2C)C1)c1csc(-c2ccccc2F)n1 ZINC000569198210 822891691 /nfs/dbraw/zinc/89/16/91/822891691.db2.gz ZZDREFDPZYRBDY-SUNYJGFJSA-N 1 0 386.496 4.254 20 0 GIADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000457568036 822892431 /nfs/dbraw/zinc/89/24/31/822892431.db2.gz ZNWNTECNWLYLRM-OAHLLOKOSA-N 1 0 398.532 4.180 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)c2cc(Br)co2)CC[N@@H+]1Cc1ccccc1 ZINC000457572499 822893031 /nfs/dbraw/zinc/89/30/31/822893031.db2.gz IVLNDXRCQMXFNR-YOEHRIQHSA-N 1 0 391.309 4.167 20 0 GIADRO CN(C(=O)N[C@@H](c1cccs1)C1CC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457572725 822893122 /nfs/dbraw/zinc/89/31/22/822893122.db2.gz MYTWQNSVTJOAPL-MRXNPFEDSA-N 1 0 389.487 4.257 20 0 GIADRO Cc1ccc([C@H](OC[C@@H](O)C[NH2+]CCC2CC(F)(F)C2)c2ccccc2)cc1 ZINC000569214300 822893517 /nfs/dbraw/zinc/89/35/17/822893517.db2.gz PTBYBZITHJJKAP-FCHUYYIVSA-N 1 0 389.486 4.487 20 0 GIADRO O=C(Nc1ccc2c(c1F)CC[NH2+]C2)N[C@@H](CC(F)(F)F)c1ccccc1 ZINC000569212367 822893545 /nfs/dbraw/zinc/89/35/45/822893545.db2.gz SOJDIPRDUASBHY-INIZCTEOSA-N 1 0 381.373 4.287 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(OC(F)(F)F)c(Cl)c2)C1 ZINC000569219603 822894024 /nfs/dbraw/zinc/89/40/24/822894024.db2.gz VIHYHPPYJGQRFZ-GFCCVEGCSA-N 1 0 393.837 4.434 20 0 GIADRO CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000175178312 822898173 /nfs/dbraw/zinc/89/81/73/822898173.db2.gz STKYXMBHODURGS-QHCPKHFHSA-N 1 0 394.563 4.017 20 0 GIADRO CCOC(=O)N1CC[C@H]([NH2+][C@H](C)c2sc(-c3ccc(F)cc3)nc2C)C1 ZINC000186454365 822898277 /nfs/dbraw/zinc/89/82/77/822898277.db2.gz XUJOZTGYNQNGFP-WBMJQRKESA-N 1 0 377.485 4.139 20 0 GIADRO CCC(=O)Nc1ccc(Cl)c(NC(=O)NC[C@@H](C(CC)CC)[NH+](C)C)c1 ZINC000175180068 822898777 /nfs/dbraw/zinc/89/87/77/822898777.db2.gz MCQFOBAMTXMKSL-KRWDZBQOSA-N 1 0 382.936 4.176 20 0 GIADRO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+]CC1CCC(c2ccccc2)CC1 ZINC000569272187 822899271 /nfs/dbraw/zinc/89/92/71/822899271.db2.gz JUPHPWSISFRBDG-LWEYNCJUSA-N 1 0 375.516 4.349 20 0 GIADRO CCc1cc(CCC[N@@H+](CC)CC(=O)Nc2c(Cl)cccc2Cl)on1 ZINC000569274238 822899589 /nfs/dbraw/zinc/89/95/89/822899589.db2.gz ZHRVKILJASGJTK-UHFFFAOYSA-N 1 0 384.307 4.437 20 0 GIADRO C[C@H]([NH2+]C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)c1cncc(F)c1 ZINC000186465608 822899802 /nfs/dbraw/zinc/89/98/02/822899802.db2.gz PTRBVLVETMXYCA-ZDUSSCGKSA-N 1 0 395.400 4.195 20 0 GIADRO Cc1ccc(SC[C@@H](C)[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)cc1 ZINC000186473635 822901000 /nfs/dbraw/zinc/90/10/00/822901000.db2.gz OVAVFZIEYORXGA-CABCVRRESA-N 1 0 381.538 4.369 20 0 GIADRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)[C@H](C)CC(F)(F)F ZINC000457652731 822901721 /nfs/dbraw/zinc/90/17/21/822901721.db2.gz AUJUJBTZGXPVSY-RHSMWYFYSA-N 1 0 394.441 4.166 20 0 GIADRO Cc1cnn(CCCCC[NH2+][C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000569292922 822902989 /nfs/dbraw/zinc/90/29/89/822902989.db2.gz FJDHSVOUOHFRQL-WOJBJXKFSA-N 1 0 378.923 4.189 20 0 GIADRO CC[NH+](CC)CCCNC(=O)c1ccc(NC(=O)[C@H](C)C2CCC2)cc1Cl ZINC000457664753 822903389 /nfs/dbraw/zinc/90/33/89/822903389.db2.gz JUTMLQDKZYULOZ-OAHLLOKOSA-N 1 0 393.959 4.176 20 0 GIADRO O=C(CC[N@@H+]1CCc2sccc2C1)N[C@H](c1cccs1)c1ccccc1 ZINC000054670683 822903539 /nfs/dbraw/zinc/90/35/39/822903539.db2.gz FYGVWJUHNXPZPI-NRFANRHFSA-N 1 0 382.554 4.464 20 0 GIADRO CSc1cccc(N(C(=O)CC[C@H]2CC[C@H](C)O2)C2CC[NH+](C)CC2)c1 ZINC000175205956 822903930 /nfs/dbraw/zinc/90/39/30/822903930.db2.gz BRXJOJCKZOCILZ-QFBILLFUSA-N 1 0 376.566 4.183 20 0 GIADRO CC(C)Oc1ccc([C@@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccsc2)cc1 ZINC000457675177 822904934 /nfs/dbraw/zinc/90/49/34/822904934.db2.gz XCXOUKSHQFHVLG-QGZVFWFLSA-N 1 0 389.565 4.370 20 0 GIADRO C[NH+]1CCC([C@H]2CCN(C(=O)c3ccc(Oc4cccc(Cl)c4)cn3)C2)CC1 ZINC000457675617 822905368 /nfs/dbraw/zinc/90/53/68/822905368.db2.gz RBKXVZFBVXSAQS-KRWDZBQOSA-N 1 0 399.922 4.331 20 0 GIADRO O=S1(=O)C[C@H](C[NH2+][C@@H]2CC3(CCCCC3)Oc3ccccc32)c2ccccc21 ZINC000569310040 822905444 /nfs/dbraw/zinc/90/54/44/822905444.db2.gz UHPRDAABVUZZHT-FXAWDEMLSA-N 1 0 397.540 4.374 20 0 GIADRO CCCOC[C@@H](Cc1cccc(Br)c1)[NH2+][C@@H](C)c1cn(C)nc1C ZINC000186502778 822905628 /nfs/dbraw/zinc/90/56/28/822905628.db2.gz FQODJZHOEQFUCL-KBXCAEBGSA-N 1 0 394.357 4.180 20 0 GIADRO O=C(Nc1ccc2c(c1F)CC[NH2+]C2)N[C@H]1CCCOc2c(Cl)cccc21 ZINC000569320931 822907209 /nfs/dbraw/zinc/90/72/09/822907209.db2.gz NXVQAGMRQANPNP-INIZCTEOSA-N 1 0 389.858 4.160 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N(Cc2ccco2)Cc2ccco2)C1 ZINC000054718173 822907381 /nfs/dbraw/zinc/90/73/81/822907381.db2.gz XIFYVRGNJPSULA-QUCCMNQESA-N 1 0 393.487 4.420 20 0 GIADRO CC[C@H](CC(F)F)C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000457694808 822907664 /nfs/dbraw/zinc/90/76/64/822907664.db2.gz RSGCCLZKEQMGQB-CJBNDPTMSA-N 1 0 376.850 4.270 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CCC(C(=O)c3ccccc3)CC2)C1 ZINC000054726118 822907776 /nfs/dbraw/zinc/90/77/76/822907776.db2.gz WRCLROUYQFBBNG-KDURUIRLSA-N 1 0 399.579 4.047 20 0 GIADRO CCOC(=O)[C@H]1CC[C@@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)c2ccccc21 ZINC000569330610 822908649 /nfs/dbraw/zinc/90/86/49/822908649.db2.gz RKUNPCWLIFLCJU-XZOQPEGZSA-N 1 0 389.499 4.203 20 0 GIADRO C[C@@H]([NH3+])c1ccc(CNC(=O)C(C)(C)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000569331696 822908712 /nfs/dbraw/zinc/90/87/12/822908712.db2.gz JSHGQCAJMFDTPL-CYBMUJFWSA-N 1 0 380.410 4.199 20 0 GIADRO CCOc1cc(NC(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)ccc1OC ZINC000175227519 822909070 /nfs/dbraw/zinc/90/90/70/822909070.db2.gz MXMXWPYJOJYFLW-SFHVURJKSA-N 1 0 397.519 4.222 20 0 GIADRO C[C@@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1)c1ccccc1OC(F)F ZINC000569350814 822910545 /nfs/dbraw/zinc/91/05/45/822910545.db2.gz QJFHTZAVJTXNTL-OAUYIBNBSA-N 1 0 394.849 4.122 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)c2ccc(OC)c(Br)c2)CC1 ZINC000054758969 822910590 /nfs/dbraw/zinc/91/05/90/822910590.db2.gz WAYYOBAASOADRN-UHFFFAOYSA-N 1 0 397.357 4.042 20 0 GIADRO C[C@H](c1nc2ccccc2s1)N(C)C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000054762203 822910951 /nfs/dbraw/zinc/91/09/51/822910951.db2.gz MNGPOVSAMZOIPR-MRXNPFEDSA-N 1 0 382.533 4.131 20 0 GIADRO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000186551831 822911769 /nfs/dbraw/zinc/91/17/69/822911769.db2.gz AUJFXBSGIPMSBQ-GQIGUUNPSA-N 1 0 388.533 4.136 20 0 GIADRO Cc1c(Cl)cncc1C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000457730229 822911781 /nfs/dbraw/zinc/91/17/81/822911781.db2.gz IIDBUHXPIKACDR-MRXNPFEDSA-N 1 0 385.817 4.095 20 0 GIADRO O=C(Nc1cccc(COCc2ccco2)c1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000175243117 822912357 /nfs/dbraw/zinc/91/23/57/822912357.db2.gz JLVWVXVJAQOEIS-NRFANRHFSA-N 1 0 397.519 4.382 20 0 GIADRO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)C(C)(C)Cc2ccc(Cl)cc2)C1 ZINC000457737270 822912790 /nfs/dbraw/zinc/91/27/90/822912790.db2.gz PVDFZNSAJJJOMH-HXUWFJFHSA-N 1 0 399.966 4.284 20 0 GIADRO Cc1csc([C@H](C)C[NH2+][C@@H](C)CC(=O)N(C)Cc2ccccc2Cl)n1 ZINC000186562052 822913459 /nfs/dbraw/zinc/91/34/59/822913459.db2.gz VWTHPJHHQGTJHX-KGLIPLIRSA-N 1 0 379.957 4.235 20 0 GIADRO COc1cc(C[N@@H+]2CCC[C@H](c3nc4ccccc4s3)C2)cc(OC)c1O ZINC000569386346 822914368 /nfs/dbraw/zinc/91/43/68/822914368.db2.gz BGVAJWMDMYOXGG-HNNXBMFYSA-N 1 0 384.501 4.399 20 0 GIADRO CC[N@H+](Cc1cccc(C(=O)N2CCCCC2)c1)Cc1ccc(OC)c(OC)c1 ZINC000054808513 822914613 /nfs/dbraw/zinc/91/46/13/822914613.db2.gz BBRNERXDVUJXDS-UHFFFAOYSA-N 1 0 396.531 4.352 20 0 GIADRO Cc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@@H]2CCC(=O)N[C@@H]2C2CC2)CCC3)cc1 ZINC000569389350 822914882 /nfs/dbraw/zinc/91/48/82/822914882.db2.gz YVNWQTHDVNUHHE-MBOZVWFJSA-N 1 0 381.545 4.143 20 0 GIADRO Cc1cc(Br)c(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000457764283 822916518 /nfs/dbraw/zinc/91/65/18/822916518.db2.gz LJSVEGCEZWWMQA-HNNXBMFYSA-N 1 0 393.350 4.071 20 0 GIADRO C[C@H]1C[C@@H](c2cccnc2)N(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)C1 ZINC000186579461 822916602 /nfs/dbraw/zinc/91/66/02/822916602.db2.gz IHOMMVOUQVCKSJ-ZXDFIECXSA-N 1 0 384.568 4.217 20 0 GIADRO CCN(CC)[C@@H](C[NH2+]Cc1cncc(Br)c1)c1cccc(OC)c1 ZINC000186581654 822916898 /nfs/dbraw/zinc/91/68/98/822916898.db2.gz NPFICWPOHHFLGQ-IBGZPJMESA-N 1 0 392.341 4.025 20 0 GIADRO C[NH+](C)CC1CCN(c2ccccc2NC(=O)c2cnc3ccccc3c2)CC1 ZINC000457768519 822916980 /nfs/dbraw/zinc/91/69/80/822916980.db2.gz QNHCLOXIDZUBLN-UHFFFAOYSA-N 1 0 388.515 4.265 20 0 GIADRO COc1cc(-c2noc([C@@H]3CC[C@@H](C(F)(F)F)C3)n2)ccc1OCC[NH+](C)C ZINC000569408352 822918168 /nfs/dbraw/zinc/91/81/68/822918168.db2.gz IUIUDUQAETYUQL-ZIAGYGMSSA-N 1 0 399.413 4.132 20 0 GIADRO CN(Cc1cc2ccccc2o1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000175262077 822918244 /nfs/dbraw/zinc/91/82/44/822918244.db2.gz UZOVBNUMFZZWTN-UHFFFAOYSA-N 1 0 377.488 4.370 20 0 GIADRO C[C@@H]1CN(c2ccc(C[NH2+]CC3CCC(C(F)(F)F)CC3)cn2)C[C@H](C)O1 ZINC000186590462 822918884 /nfs/dbraw/zinc/91/88/84/822918884.db2.gz NRRFKBNYPRZRLN-SFYZZRBRSA-N 1 0 385.474 4.154 20 0 GIADRO COC[C@]1(C[NH2+][C@@H](C)c2ccc(SC)c(OC)c2)OCCc2ccccc21 ZINC000569413398 822919029 /nfs/dbraw/zinc/91/90/29/822919029.db2.gz DNWKMBNBDOLFIK-AOMKIAJQSA-N 1 0 387.545 4.182 20 0 GIADRO OC1(Cc2cccc(F)c2)CC[NH+](Cc2ccc(OCC(F)F)cc2)CC1 ZINC000186592404 822919590 /nfs/dbraw/zinc/91/95/90/822919590.db2.gz HPOUJRFHYIMKJB-UHFFFAOYSA-N 1 0 379.422 4.039 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)Nc2ccc(C)cc2OCC(F)(F)F)CC1 ZINC000175268145 822919795 /nfs/dbraw/zinc/91/97/95/822919795.db2.gz MGLUYMNKGCQTNR-UHFFFAOYSA-N 1 0 387.446 4.274 20 0 GIADRO C[C@H]([NH2+][C@@H](Cc1ccc(F)cc1)[C@H]1COc2ccccc2O1)c1cscn1 ZINC000569417172 822919856 /nfs/dbraw/zinc/91/98/56/822919856.db2.gz TZURSKJYVFZXCU-XXHMAFKTSA-N 1 0 384.476 4.384 20 0 GIADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2ccc(OC(C)C)cc2Cl)cc1 ZINC000457798238 822920304 /nfs/dbraw/zinc/92/03/04/822920304.db2.gz VLXMJNHDCRHZSC-FQEVSTJZSA-N 1 0 390.911 4.169 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(-c2cccs2)n[nH]1 ZINC000175272791 822921509 /nfs/dbraw/zinc/92/15/09/822921509.db2.gz KHLXBQGDBOOOCG-GOSISDBHSA-N 1 0 394.544 4.122 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cccc(OC(F)F)c1 ZINC000175278403 822922833 /nfs/dbraw/zinc/92/28/33/822922833.db2.gz VXKZZOAKZPBDAQ-GOSISDBHSA-N 1 0 388.458 4.272 20 0 GIADRO O=C([C@H](Cc1ccccc1)[NH2+]CC1CCC(C(F)(F)F)CC1)N1CCCC1 ZINC000186612358 822923508 /nfs/dbraw/zinc/92/35/08/822923508.db2.gz QVLAUEUINSWJGW-ACBHZAAOSA-N 1 0 382.470 4.178 20 0 GIADRO Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)s1 ZINC000054949730 822924515 /nfs/dbraw/zinc/92/45/15/822924515.db2.gz QFQSBJJTOLRQKZ-KRWDZBQOSA-N 1 0 399.560 4.104 20 0 GIADRO Cc1cc(-c2noc([C@H](C)[N@@H+]3C[C@H](c4cnn(C)c4)C(C)(C)C3)n2)ccc1F ZINC000569469382 822926765 /nfs/dbraw/zinc/92/67/65/822926765.db2.gz WNVMNPSBOBRDBF-WMLDXEAASA-N 1 0 383.471 4.104 20 0 GIADRO COc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H](C)c3ccc(Cl)s3)CC2)cc1 ZINC000175294349 822927192 /nfs/dbraw/zinc/92/71/92/822927192.db2.gz VTCWJWSHORJPTF-HNNXBMFYSA-N 1 0 392.952 4.248 20 0 GIADRO CC(C)[C@@H]1N(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC12CCCCC2 ZINC000457878146 822927874 /nfs/dbraw/zinc/92/78/74/822927874.db2.gz VYAUIUXDQDCYDD-NRFANRHFSA-N 1 0 384.568 4.046 20 0 GIADRO O=C(NCCNc1cc[nH+]cc1)N[C@@H](c1ccccc1)c1ccc2ccccc2c1 ZINC000569484867 822928535 /nfs/dbraw/zinc/92/85/35/822928535.db2.gz UBSAAMHQURMEGF-DEOSSOPVSA-N 1 0 396.494 4.157 20 0 GIADRO CC(C)C(=O)Nc1ccc(NC(=O)N[C@]2(C)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000569489701 822929110 /nfs/dbraw/zinc/92/91/10/822929110.db2.gz NPOUEFQZHKELCY-HSZRJFAPSA-N 1 0 394.519 4.067 20 0 GIADRO COc1cccc([C@H]2C[C@H](N(C)C(=O)NC[C@H](c3ccc(F)cc3)[NH+](C)C)C2)c1 ZINC000457891525 822929302 /nfs/dbraw/zinc/92/93/02/822929302.db2.gz AXSDNONNTDNFDZ-SYYKKAFVSA-N 1 0 399.510 4.025 20 0 GIADRO CC(C)(C)NC(=S)C(C(=O)c1ccccc1Br)[n+]1ccccc1 ZINC000055015229 822931682 /nfs/dbraw/zinc/93/16/82/822931682.db2.gz HWZGTCRVSHCBFH-UHFFFAOYSA-O 1 0 392.342 4.064 20 0 GIADRO O=C(Nc1ccccc1)NC1CC[NH+](Cc2ccc(OC(F)F)cc2)CC1 ZINC000055052249 822935368 /nfs/dbraw/zinc/93/53/68/822935368.db2.gz KLEMIAWUHCQARV-UHFFFAOYSA-N 1 0 375.419 4.074 20 0 GIADRO CN1CC[C@H]([NH2+][C@@H](C(=O)Nc2ccccc2)c2ccccc2)[C@@H]1c1ccccc1 ZINC000569533227 822935793 /nfs/dbraw/zinc/93/57/93/822935793.db2.gz FJIQGISFXQDQLS-VXNXHJTFSA-N 1 0 385.511 4.401 20 0 GIADRO C[C@@H](NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccccc1C(F)(F)F ZINC000055087423 822937005 /nfs/dbraw/zinc/93/70/05/822937005.db2.gz OLFLUWIXYPEEJO-PBHICJAKSA-N 1 0 395.425 4.496 20 0 GIADRO CN(Cc1cc2ccccc2o1)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000175337311 822939061 /nfs/dbraw/zinc/93/90/61/822939061.db2.gz WINOTLRJABWFIE-UHFFFAOYSA-N 1 0 395.478 4.378 20 0 GIADRO CCOc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1sc(CCOC)nc1C)CCO2 ZINC000186695154 822939091 /nfs/dbraw/zinc/93/90/91/822939091.db2.gz JVFZJHPRAWNSBV-SUMWQHHRSA-N 1 0 376.522 4.214 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc(Cl)cc2cccnc21 ZINC000055116556 822939371 /nfs/dbraw/zinc/93/93/71/822939371.db2.gz OMGINYKIGMDDDE-UHFFFAOYSA-N 1 0 379.891 4.283 20 0 GIADRO Cc1nc(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)sc1C(F)(F)F ZINC000569556025 822939398 /nfs/dbraw/zinc/93/93/98/822939398.db2.gz SYUZVBVUTPPPQG-UHFFFAOYSA-N 1 0 398.454 4.256 20 0 GIADRO Cc1c(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cccc1-c1ncco1 ZINC000569561831 822940251 /nfs/dbraw/zinc/94/02/51/822940251.db2.gz KIUUCCNIOQFSAT-VQTJNVASSA-N 1 0 376.460 4.217 20 0 GIADRO C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000569562314 822940564 /nfs/dbraw/zinc/94/05/64/822940564.db2.gz IPBFZXGZSFEXGU-QUFMSWDXSA-N 1 0 392.543 4.128 20 0 GIADRO CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000569569690 822941061 /nfs/dbraw/zinc/94/10/61/822941061.db2.gz AFILXASBKIPVTB-HUUCEWRRSA-N 1 0 377.941 4.044 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccccc2OC(C)C)c1 ZINC000055151893 822941173 /nfs/dbraw/zinc/94/11/73/822941173.db2.gz ZBPUUYYIXRHOOW-HOTGVXAUSA-N 1 0 383.492 4.110 20 0 GIADRO CCCc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCCS3(=O)=O)c(F)c2)cc1 ZINC000186707699 822941358 /nfs/dbraw/zinc/94/13/58/822941358.db2.gz HUGZCLQGAMMCOY-INIZCTEOSA-N 1 0 390.524 4.169 20 0 GIADRO CC(C)C[C@@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1)c1cccs1 ZINC000186710036 822941907 /nfs/dbraw/zinc/94/19/07/822941907.db2.gz OFNDLMFHZBACAH-QGZVFWFLSA-N 1 0 396.553 4.304 20 0 GIADRO Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1 ZINC000186710134 822941965 /nfs/dbraw/zinc/94/19/65/822941965.db2.gz VNQYPMQEDYWNRT-KXBFYZLASA-N 1 0 388.508 4.012 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)Cc2ccc3c(c2)CCCC3)CC1 ZINC000569614959 822944852 /nfs/dbraw/zinc/94/48/52/822944852.db2.gz SJDHLMIVTGHHOO-IBGZPJMESA-N 1 0 376.544 4.450 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1cc(F)c(OC)cc1C)c1ccsc1 ZINC000186731653 822946754 /nfs/dbraw/zinc/94/67/54/822946754.db2.gz DKHFIHFJZMEQKQ-KRWDZBQOSA-N 1 0 379.501 4.409 20 0 GIADRO CCO[C@H]1C[C@]([NH3+])(C(=O)Nc2ccc3c(c2)c2ccccc2n3CC)C1(C)C ZINC000186734773 822947251 /nfs/dbraw/zinc/94/72/51/822947251.db2.gz LTEDLHUHWGKEEO-REWPJTCUSA-N 1 0 379.504 4.285 20 0 GIADRO CSC1(CNC(=O)N[C@@H](C)C2(c3ccccc3)CCCC2)CC[NH+](C)CC1 ZINC000569634815 822948030 /nfs/dbraw/zinc/94/80/30/822948030.db2.gz APQXTFMHWBCQKP-SFHVURJKSA-N 1 0 389.609 4.014 20 0 GIADRO CC(C)[C@H](C(=O)Nc1cccc2c1CN(CC(F)(F)F)C2)[NH+]1CCCCC1 ZINC000186744045 822948828 /nfs/dbraw/zinc/94/88/28/822948828.db2.gz XCENBJWXEOZNCI-GOSISDBHSA-N 1 0 383.458 4.014 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)Nc2ccc(F)cc2OCC(F)(F)F)CC1 ZINC000175376144 822951075 /nfs/dbraw/zinc/95/10/75/822951075.db2.gz DFVWDRPXOPCCEW-UHFFFAOYSA-N 1 0 391.409 4.105 20 0 GIADRO COc1ccc(C[C@@H]2CCC[N@H+](CC(=O)N(C)[C@@H](C)c3ccccc3)C2)cc1 ZINC000569657097 822951290 /nfs/dbraw/zinc/95/12/90/822951290.db2.gz ZDVZBMYQNGGXCR-FPOVZHCZSA-N 1 0 380.532 4.169 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)Nc2cc(-c3ccccc3)nn2C(C)C)CC1 ZINC000175376962 822951264 /nfs/dbraw/zinc/95/12/64/822951264.db2.gz QKKPWHDTWGYPIK-UHFFFAOYSA-N 1 0 383.540 4.469 20 0 GIADRO COc1ccc(CCC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cc1Cl ZINC000055318895 822951678 /nfs/dbraw/zinc/95/16/78/822951678.db2.gz MCSSJRMLYHERSR-UHFFFAOYSA-N 1 0 386.923 4.016 20 0 GIADRO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CCC(=O)Nc1ccccc1Cl ZINC000175378603 822952069 /nfs/dbraw/zinc/95/20/69/822952069.db2.gz NJDOXKMFPNYCDV-DLUDVSRJSA-N 1 0 378.925 4.099 20 0 GIADRO Cn1cncc1[C@@H]1C[C@@H]([NH2+][C@@H](Cc2cccnc2)c2ccc(Cl)cc2)CCO1 ZINC000569666668 822952818 /nfs/dbraw/zinc/95/28/18/822952818.db2.gz QLOIPWLYLDUDJX-ONTIZHBOSA-N 1 0 396.922 4.262 20 0 GIADRO CCC[C@@]1(CO)CCN(Cc2cc(Br)cc(Br)c2)C1 ZINC000569681569 822954900 /nfs/dbraw/zinc/95/49/00/822954900.db2.gz PCPLUFJZYQSARO-OAHLLOKOSA-N 1 0 391.147 4.196 20 0 GIADRO C[C@H](NCc1nnc(C2CC[NH2+]CC2)[nH]1)c1cc2c(ccc3ccccc23)o1 ZINC000569687273 822955472 /nfs/dbraw/zinc/95/54/72/822955472.db2.gz YLWOOUCLMBQAQN-AWEZNQCLSA-N 1 0 375.476 4.022 20 0 GIADRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3cc(-c4ccc5ccccc5c4)n[nH]3)C2)CC1 ZINC000569687439 822955511 /nfs/dbraw/zinc/95/55/11/822955511.db2.gz UESGYGJPOAHYTB-OAQYLSRUSA-N 1 0 388.515 4.034 20 0 GIADRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)N1Cc2ccc(Cl)cc2C1 ZINC000458086224 822956582 /nfs/dbraw/zinc/95/65/82/822956582.db2.gz AQTVFCWJVCJUHX-UHFFFAOYSA-N 1 0 389.952 4.339 20 0 GIADRO C[C@@H](NC(=O)[C@H](C)[N@@H+]1CCSC2(CCOCC2)C1)c1ccc2ccccc2c1 ZINC000186801522 822957741 /nfs/dbraw/zinc/95/77/41/822957741.db2.gz FWOOBOILLGZZKJ-MSOLQXFVSA-N 1 0 398.572 4.004 20 0 GIADRO FC(F)(F)[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCO3)CC12CCC2 ZINC000569711930 822957832 /nfs/dbraw/zinc/95/78/32/822957832.db2.gz VHTNLSWZXOEPFX-QGZVFWFLSA-N 1 0 393.409 4.360 20 0 GIADRO Cc1cc(C)c(CNC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)c(C)c1 ZINC000458097411 822958110 /nfs/dbraw/zinc/95/81/10/822958110.db2.gz YIZQAHZDALDZOS-UHFFFAOYSA-N 1 0 385.474 4.170 20 0 GIADRO O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)Nc1c(F)cccc1Cl ZINC000569719471 822958852 /nfs/dbraw/zinc/95/88/52/822958852.db2.gz BUWUPCMMHCJKNY-UHFFFAOYSA-N 1 0 391.874 4.275 20 0 GIADRO C[C@H]1CN(C(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)CC[N@@H+](C2CCC2)C1 ZINC000569721805 822959148 /nfs/dbraw/zinc/95/91/48/822959148.db2.gz JJFRPYKOKWXSTA-OAHLLOKOSA-N 1 0 380.454 4.070 20 0 GIADRO Cc1cc(CNC(=O)c2occc2-c2ccc(F)cc2)cc(N2CCCC2)n1 ZINC000569728518 822959649 /nfs/dbraw/zinc/95/96/49/822959649.db2.gz XPCCVAFKIDCCJV-UHFFFAOYSA-N 1 0 379.435 4.319 20 0 GIADRO CCOc1ccc(NC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1F ZINC000175401242 822959823 /nfs/dbraw/zinc/95/98/23/822959823.db2.gz PAQYOLPPVZCYNU-SFHVURJKSA-N 1 0 385.483 4.210 20 0 GIADRO CC(C)(C)OCc1cc(CNC2CC[NH+](Cc3ccc(Cl)cc3)CC2)no1 ZINC000186817670 822960483 /nfs/dbraw/zinc/96/04/83/822960483.db2.gz YWFLXJYUVMOLSI-UHFFFAOYSA-N 1 0 391.943 4.397 20 0 GIADRO COC[C@@H]1CCCN(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CC1 ZINC000458128983 822960815 /nfs/dbraw/zinc/96/08/15/822960815.db2.gz HTORIFHXUXIYNS-JOCHJYFZSA-N 1 0 387.568 4.021 20 0 GIADRO COC[C@H]([NH2+][C@H](C)CC(=O)Nc1ccc(OC)cc1)c1cccc(Cl)c1 ZINC000569736109 822960820 /nfs/dbraw/zinc/96/08/20/822960820.db2.gz QHNXEWCISQWLPC-KUHUBIRLSA-N 1 0 376.884 4.043 20 0 GIADRO C[C@H](c1nc2ccccc2s1)N(C)C(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000569738803 822961518 /nfs/dbraw/zinc/96/15/18/822961518.db2.gz GMKAWURBISOZEZ-SJLPKXTDSA-N 1 0 379.529 4.338 20 0 GIADRO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)C[C@H](O)COc1cccc2ccccc21 ZINC000175414539 822963225 /nfs/dbraw/zinc/96/32/25/822963225.db2.gz CMJMJXOZFMENRN-KLMLQECBSA-N 1 0 397.540 4.010 20 0 GIADRO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)C[C@H](O)COc1ccc2ccccc2c1 ZINC000175414624 822963234 /nfs/dbraw/zinc/96/32/34/822963234.db2.gz OKBPBNLXKRJDIY-YCAUGHHRSA-N 1 0 397.540 4.010 20 0 GIADRO C[N@@H+]1CCC[C@H](CCNC(=O)[C@H]2CC=CC[C@H]2c2nc3ccccc3s2)C1 ZINC000458157625 822963664 /nfs/dbraw/zinc/96/36/64/822963664.db2.gz CUGKYMNHWOODSO-FGTMMUONSA-N 1 0 383.561 4.194 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc2ccccc2c(Cl)n1 ZINC000175415883 822963812 /nfs/dbraw/zinc/96/38/12/822963812.db2.gz ZQZVNEFHIPKXMV-GOSISDBHSA-N 1 0 393.918 4.482 20 0 GIADRO COc1cc(C[NH+]2CCC(F)(c3cccnc3)CC2)c(SC)cc1OC ZINC000569752850 822963889 /nfs/dbraw/zinc/96/38/89/822963889.db2.gz GPWRZMWDZCYBDT-UHFFFAOYSA-N 1 0 376.497 4.282 20 0 GIADRO CC(C)c1c(C(=O)NCC[C@H]2CCC[N@H+](C)C2)cnn1-c1ccc(Cl)cc1 ZINC000458161612 822963919 /nfs/dbraw/zinc/96/39/19/822963919.db2.gz HPBZBJASNYSQJI-MRXNPFEDSA-N 1 0 388.943 4.111 20 0 GIADRO CCCC[NH+]1CCC(NC(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)CC1 ZINC000458168491 822964582 /nfs/dbraw/zinc/96/45/82/822964582.db2.gz SJHBEZBARNLWIC-HXUWFJFHSA-N 1 0 383.540 4.064 20 0 GIADRO C[C@H](Sc1ccnc2cc(Cl)ccc21)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000458173795 822965332 /nfs/dbraw/zinc/96/53/32/822965332.db2.gz BUJCPUGCBIDSLP-GJZGRUSLSA-N 1 0 391.968 4.217 20 0 GIADRO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]C[C@H](c2ccccc2)C(F)(F)F)cc1 ZINC000186843682 822966257 /nfs/dbraw/zinc/96/62/57/822966257.db2.gz LVBJDZUTCCBAMO-CRAIPNDOSA-N 1 0 385.451 4.093 20 0 GIADRO COc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H](c1ccccc1)C(F)(F)F ZINC000186847726 822967045 /nfs/dbraw/zinc/96/70/45/822967045.db2.gz KTLIDTZAZYOUSZ-ZBFHGGJFSA-N 1 0 380.410 4.348 20 0 GIADRO C[C@H](C[NH+]1CCCCCC1)NC(=O)Nc1cccc(OCc2cscn2)c1 ZINC000186847425 822967055 /nfs/dbraw/zinc/96/70/55/822967055.db2.gz ROXYPBMWFAYSRT-MRXNPFEDSA-N 1 0 388.537 4.108 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)N2CCCC[C@H]2c2cccn2C)[NH+]2CCCC2)o1 ZINC000175431830 822967068 /nfs/dbraw/zinc/96/70/68/822967068.db2.gz HGWUYVIIDUMEGO-VQTJNVASSA-N 1 0 384.524 4.000 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)C[C@@H](c1ccccc1)C(F)(F)F ZINC000458197007 822967599 /nfs/dbraw/zinc/96/75/99/822967599.db2.gz FJTHYECYNQOWET-KRWDZBQOSA-N 1 0 384.467 4.375 20 0 GIADRO O=C(c1ccccc1)C1CC[NH+](C[C@H](O)CO[C@@H]2CCCc3ccccc32)CC1 ZINC000055471812 822967798 /nfs/dbraw/zinc/96/77/98/822967798.db2.gz FWTBVCDIUMLNLK-LADGPHEKSA-N 1 0 393.527 4.036 20 0 GIADRO Cc1nc(-c2cccc(C(=O)N(CC[NH+](C)C)Cc3ccsc3)c2)cs1 ZINC000458200769 822967943 /nfs/dbraw/zinc/96/79/43/822967943.db2.gz LPPQEKRESIYZQK-UHFFFAOYSA-N 1 0 385.558 4.384 20 0 GIADRO Cc1cc(NC(=O)c2cnc(C)c(Cl)c2Cl)ccc1OCC[NH+](C)C ZINC000458198812 822967973 /nfs/dbraw/zinc/96/79/73/822967973.db2.gz QDXOINFAFNFJNK-UHFFFAOYSA-N 1 0 382.291 4.198 20 0 GIADRO C[C@H](CCNC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)c1ccccc1 ZINC000458210549 822969111 /nfs/dbraw/zinc/96/91/11/822969111.db2.gz GRYABOXVFZVBLU-MRXNPFEDSA-N 1 0 385.474 4.238 20 0 GIADRO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)N1CCC(c2ccsc2)CC1 ZINC000186857917 822969230 /nfs/dbraw/zinc/96/92/30/822969230.db2.gz ZPHVEFYSBOIIPC-FQEVSTJZSA-N 1 0 397.588 4.202 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCCc1c[nH]c2c1cccc2C ZINC000175440176 822969732 /nfs/dbraw/zinc/96/97/32/822969732.db2.gz DNARBBRPBDHMTH-UHFFFAOYSA-N 1 0 392.547 4.312 20 0 GIADRO Clc1cccc(-c2noc(CC[NH2+]C3(c4ccccc4)CCOCC3)n2)c1 ZINC000569809522 822971799 /nfs/dbraw/zinc/97/17/99/822971799.db2.gz WHFLTMWRWJXACY-UHFFFAOYSA-N 1 0 383.879 4.228 20 0 GIADRO O=C(CCc1ccc(-c2ccccc2)[nH]1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000055515091 822972882 /nfs/dbraw/zinc/97/28/82/822972882.db2.gz NHLAZWYOEFBOPV-UHFFFAOYSA-N 1 0 387.527 4.349 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](C1CC1)N(C)Cc1ccccc1)c1ccc(N2CCOC2=O)cc1 ZINC000186876668 822972931 /nfs/dbraw/zinc/97/29/31/822972931.db2.gz OCPQLMOYFLHZES-JPYJTQIMSA-N 1 0 393.531 4.204 20 0 GIADRO CC(C)Cc1ccc([C@@H](CNC(=O)[C@H]2CCC(=O)c3ccccc32)[NH+](C)C)cc1 ZINC000569828398 822973413 /nfs/dbraw/zinc/97/34/13/822973413.db2.gz JVLOBKQQGZIKFT-XZOQPEGZSA-N 1 0 392.543 4.364 20 0 GIADRO Cc1ccc(Oc2ccc(Cl)cc2NC(=O)CN2CCC[N@@H+](C)CC2)cc1 ZINC000569834682 822974202 /nfs/dbraw/zinc/97/42/02/822974202.db2.gz DHKVXCYRBHNBAI-UHFFFAOYSA-N 1 0 387.911 4.017 20 0 GIADRO Cc1nccn1-c1ccc(CNC(=O)N2CCCC3(C2)CCCCCC3)cn1 ZINC000175462587 822974979 /nfs/dbraw/zinc/97/49/79/822974979.db2.gz WJYPKAPXLAGRHO-UHFFFAOYSA-N 1 0 381.524 4.222 20 0 GIADRO Cc1cc(C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)c(C)n1Cc1ccncc1 ZINC000458261318 822974996 /nfs/dbraw/zinc/97/49/96/822974996.db2.gz IZVKBDPKWGKOQK-UHFFFAOYSA-N 1 0 376.504 4.171 20 0 GIADRO Cc1cc(NC(=O)C2(c3cccc(Cl)c3)CCOCC2)ccc1C[NH+](C)C ZINC000458266096 822975488 /nfs/dbraw/zinc/97/54/88/822975488.db2.gz DEESIKBSHNGTES-UHFFFAOYSA-N 1 0 386.923 4.397 20 0 GIADRO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)N1CC(c2ccc(Cl)cc2)C1 ZINC000458264455 822975540 /nfs/dbraw/zinc/97/55/40/822975540.db2.gz MAFOTPRLVPHQNF-LJQANCHMSA-N 1 0 397.950 4.013 20 0 GIADRO CSCc1cccc(CNC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000186896000 822976261 /nfs/dbraw/zinc/97/62/61/822976261.db2.gz XVSZDUWADDHYFC-JOCHJYFZSA-N 1 0 397.588 4.213 20 0 GIADRO COc1ccc(COC[C@@H](O)C[NH2+][C@H](C)c2nc(-c3ccccc3)cs2)cc1 ZINC000569855567 822976432 /nfs/dbraw/zinc/97/64/32/822976432.db2.gz ACAOUJNINWEXFZ-APWZRJJASA-N 1 0 398.528 4.047 20 0 GIADRO CC(=O)c1oc2cc(C)ccc2c1CC(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000458271785 822976442 /nfs/dbraw/zinc/97/64/42/822976442.db2.gz VJYGGRDSJBCBHK-UHFFFAOYSA-N 1 0 378.472 4.495 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cccc3c2CC(=O)CC3)cc1 ZINC000569859724 822977541 /nfs/dbraw/zinc/97/75/41/822977541.db2.gz IUFLDGIKASWTHI-KRWDZBQOSA-N 1 0 376.500 4.371 20 0 GIADRO C[C@H]([NH2+]C[C@H](c1cccc(F)c1)N(C)C)c1ncc(Br)cc1F ZINC000186906527 822977726 /nfs/dbraw/zinc/97/77/26/822977726.db2.gz XFUXOXQXDFDSHC-MEDUHNTESA-N 1 0 384.268 4.076 20 0 GIADRO CC[NH+](CC)CCOc1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000055553684 822977800 /nfs/dbraw/zinc/97/78/00/822977800.db2.gz GZPXLMGPXHUXRE-UHFFFAOYSA-N 1 0 381.270 4.015 20 0 GIADRO Cc1ccc(-c2noc(CCC[N@H+]3CCN(C)C4(CCCCC4)C3)n2)cc1F ZINC000569864221 822978093 /nfs/dbraw/zinc/97/80/93/822978093.db2.gz USBZFBJSMCKOHT-UHFFFAOYSA-N 1 0 386.515 4.067 20 0 GIADRO Cc1cc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)ccc1C[NH+](C)C ZINC000458284683 822978174 /nfs/dbraw/zinc/97/81/74/822978174.db2.gz NEHXVSWQDTYLHM-UHFFFAOYSA-N 1 0 386.923 4.397 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)CCc1nc2c(cccc2C)[nH]1)c1ccsc1 ZINC000175480567 822979040 /nfs/dbraw/zinc/97/90/40/822979040.db2.gz AJDBCWRDMRMJKE-SFHVURJKSA-N 1 0 384.549 4.065 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)NCc2nc3ccccc3s2)CC1 ZINC000175480123 822979094 /nfs/dbraw/zinc/97/90/94/822979094.db2.gz SOVSZXNIILROKE-UHFFFAOYSA-N 1 0 394.544 4.102 20 0 GIADRO Cc1cc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)ccc1C[NH+](C)C ZINC000458293160 822979548 /nfs/dbraw/zinc/97/95/48/822979548.db2.gz UMFOKJBRJRDWIA-UHFFFAOYSA-N 1 0 392.503 4.053 20 0 GIADRO CCC[C@H](C)C[NH2+][C@@H](c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1F ZINC000569877406 822979728 /nfs/dbraw/zinc/97/97/28/822979728.db2.gz WBORELUHEPSDSS-XOBRGWDASA-N 1 0 381.488 4.484 20 0 GIADRO C[NH+](C)C[C@H](NC(=O)c1ccc(Oc2cccnc2)cc1)c1ccc(F)cc1 ZINC000569880403 822979958 /nfs/dbraw/zinc/97/99/58/822979958.db2.gz APHLMUHCUYETEE-NRFANRHFSA-N 1 0 379.435 4.046 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)CC2CCC(C(F)(F)F)CC2)cc1F ZINC000458295978 822979982 /nfs/dbraw/zinc/97/99/82/822979982.db2.gz QMZFEPWYCHXYNY-UHFFFAOYSA-N 1 0 390.421 4.463 20 0 GIADRO COc1cc(C[NH2+]CCc2cccnc2OC)ccc1OCc1ccc(F)cc1 ZINC000569892307 822981537 /nfs/dbraw/zinc/98/15/37/822981537.db2.gz KPGSEJCHLLMFGN-UHFFFAOYSA-N 1 0 396.462 4.149 20 0 GIADRO Cn1cc([C@@H](NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c2ccccc2)cn1 ZINC000569891935 822981587 /nfs/dbraw/zinc/98/15/87/822981587.db2.gz HCZQSINOGNWJEI-RDGATRHJSA-N 1 0 388.559 4.401 20 0 GIADRO CCC[C@@H](NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC)C1CCCCC1 ZINC000458311420 822981968 /nfs/dbraw/zinc/98/19/68/822981968.db2.gz YDFKKHYFCLTEFB-JGUMPVPUSA-N 1 0 379.589 4.019 20 0 GIADRO Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000458312740 822982036 /nfs/dbraw/zinc/98/20/36/822982036.db2.gz IFUXDUHFBUEZQX-UHFFFAOYSA-N 1 0 380.467 4.251 20 0 GIADRO Cc1cc(C(=O)CCC(=O)Nc2ccc(OCC[NH+](C)C)c(F)c2)c(C)s1 ZINC000458322789 822983272 /nfs/dbraw/zinc/98/32/72/822983272.db2.gz RFOJEVNFDVFKES-UHFFFAOYSA-N 1 0 392.496 4.046 20 0 GIADRO CCOc1c(Cl)cc(C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)cc1OC ZINC000458330293 822984099 /nfs/dbraw/zinc/98/40/99/822984099.db2.gz YLGXRUIMIVCWGR-UHFFFAOYSA-N 1 0 376.884 4.370 20 0 GIADRO C[C@H]1C[C@@H](Nc2ccc(F)c(N3CCCNC3=O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000569916509 822985510 /nfs/dbraw/zinc/98/55/10/822985510.db2.gz MDVNNQXBYHPJIY-PXNSSMCTSA-N 1 0 396.510 4.210 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCC[C@H](C(F)(F)F)C2)[C@@H]1c1cccs1 ZINC000175507499 822986015 /nfs/dbraw/zinc/98/60/15/822986015.db2.gz QQJOUWBLCCZPSC-OFQRWUPVSA-N 1 0 389.487 4.115 20 0 GIADRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)NC[C@H](C)[NH+](C)C ZINC000458362141 822987014 /nfs/dbraw/zinc/98/70/14/822987014.db2.gz RNXDZYUFXBKGLH-WCQYABFASA-N 1 0 380.945 4.082 20 0 GIADRO C[NH+](C)CCOc1ccc(CNC(=O)Nc2cccc(C(C)(F)F)c2)cc1 ZINC000186959015 822987224 /nfs/dbraw/zinc/98/72/24/822987224.db2.gz WIRNYOQUJUWENO-UHFFFAOYSA-N 1 0 377.435 4.060 20 0 GIADRO Cc1nc2cc(NC(=O)NC[C@H]3CCC[N@@H+](C)[C@@H]3c3cccs3)ccc2o1 ZINC000175511118 822987349 /nfs/dbraw/zinc/98/73/49/822987349.db2.gz NWRKTLUMDBRRTL-KUHUBIRLSA-N 1 0 384.505 4.402 20 0 GIADRO CCCc1ncc(CNC(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCCC2)o1 ZINC000458366109 822987674 /nfs/dbraw/zinc/98/76/74/822987674.db2.gz GHLMUEMTMYYPDA-QGZVFWFLSA-N 1 0 384.524 4.090 20 0 GIADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1ccc(Cl)nc1Cl ZINC000175514500 822988263 /nfs/dbraw/zinc/98/82/63/822988263.db2.gz OMDAOPDMPFUDHC-UHFFFAOYSA-N 1 0 386.245 4.125 20 0 GIADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N1CC[C@](F)(c2ccccc2)C1 ZINC000569945322 822988589 /nfs/dbraw/zinc/98/85/89/822988589.db2.gz VMZFNSJIQAHRIO-WIYYLYMNSA-N 1 0 387.524 4.165 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCC(F)(c2cccnc2)CC1 ZINC000569948671 822988818 /nfs/dbraw/zinc/98/88/18/822988818.db2.gz XHIQGCLEGVWXAX-UHFFFAOYSA-N 1 0 398.526 4.094 20 0 GIADRO CC[N@H+](CCc1ccc2c(c1)CCO2)CC(=O)Nc1c(Cl)cccc1Cl ZINC000175516679 822988968 /nfs/dbraw/zinc/98/89/68/822988968.db2.gz FRJUORUCIUDXIN-UHFFFAOYSA-N 1 0 393.314 4.431 20 0 GIADRO CCCOc1ccccc1Oc1ncccc1CNC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000569966291 822990681 /nfs/dbraw/zinc/99/06/81/822990681.db2.gz QPSAEPKNUJFTKQ-MJGOQNOKSA-N 1 0 397.519 4.187 20 0 GIADRO Cc1ccc(NC(=O)c2ccc(C(=O)c3cccc(O)c3)cc2)c(C[NH+](C)C)c1 ZINC000186977728 822991020 /nfs/dbraw/zinc/99/10/20/822991020.db2.gz YUZJBAJWCSVAPN-UHFFFAOYSA-N 1 0 388.467 4.246 20 0 GIADRO c1ccc(Cn2c(C3CCCC3)nnc2N2CCC[N@@H+](C3CCCC3)CC2)cc1 ZINC000569980694 822992846 /nfs/dbraw/zinc/99/28/46/822992846.db2.gz QRVJKLRUCDRWNG-UHFFFAOYSA-N 1 0 393.579 4.439 20 0 GIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000569982688 822993331 /nfs/dbraw/zinc/99/33/31/822993331.db2.gz QTOBUWHQGKJLFR-XSEFMFLKSA-N 1 0 393.531 4.041 20 0 GIADRO CSc1ccc(C[NH2+][C@H]2CCCN([C@@H](C)c3ccccc3F)C2=O)s1 ZINC000569990824 822994015 /nfs/dbraw/zinc/99/40/15/822994015.db2.gz GKAVDQZVOJUBBZ-GUYCJALGSA-N 1 0 378.538 4.451 20 0 GIADRO CO[C@H](C)c1nc(C[NH2+][C@H]2CCc3cccc(Br)c3C2)cs1 ZINC000569990903 822994230 /nfs/dbraw/zinc/99/42/30/822994230.db2.gz JJFPPOAKFGTVFZ-YPMHNXCESA-N 1 0 381.339 4.260 20 0 GIADRO Cc1nc(CSc2ccccc2C(=O)N(C)CC2([NH+](C)C)CCC2)cs1 ZINC000187005140 822995740 /nfs/dbraw/zinc/99/57/40/822995740.db2.gz TXPOLUUJGBKJPY-UHFFFAOYSA-N 1 0 389.590 4.300 20 0 GIADRO C[C@@H]1OCC[C@@]1(O)C[N@H+](Cc1cnc(C2CCCC2)s1)Cc1ccccc1 ZINC000570008508 822996266 /nfs/dbraw/zinc/99/62/66/822996266.db2.gz DARBJXUIFGJRSN-HTAPYJJXSA-N 1 0 386.561 4.343 20 0 GIADRO O[C@@H](c1ccc(F)cc1)C1CC[NH+](C[C@@H](O)c2ccc(F)cc2Cl)CC1 ZINC000187007873 822996491 /nfs/dbraw/zinc/99/64/91/822996491.db2.gz SYHYBIYSFXYMQQ-UXHICEINSA-N 1 0 381.850 4.097 20 0 GIADRO CC(=O)Nc1sc(NC(=O)c2cccc(C[NH+](C)C)c2)nc1-c1ccccc1 ZINC000187016672 822998131 /nfs/dbraw/zinc/99/81/31/822998131.db2.gz OGERKGUFIPMBPK-UHFFFAOYSA-N 1 0 394.500 4.082 20 0 GIADRO Cc1ccc(OCc2ccccc2)c(NC(=O)NCCCCn2ccnc2)c1 ZINC000570031387 822999116 /nfs/dbraw/zinc/99/91/16/822999116.db2.gz BKZHLOYRFBWSKC-UHFFFAOYSA-N 1 0 378.476 4.372 20 0 GIADRO Cc1cc2c(cc1C)[C@H]([NH2+]Cc1cccc(CN3CCOCC3)c1)CCS2 ZINC000187024982 822999726 /nfs/dbraw/zinc/99/97/26/822999726.db2.gz PSBWSLZOJICAJQ-JOCHJYFZSA-N 1 0 382.573 4.462 20 0 GIADRO C[C@@H]([NH2+]C1CC1)C(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000570042767 823000263 /nfs/dbraw/zinc/00/02/63/823000263.db2.gz NRFPIYVRZJSEHV-GFCCVEGCSA-N 1 0 391.393 4.037 20 0 GIADRO Cc1c[nH+]ccc1N1CCC(C(=O)N[C@](C)(Cc2ccccc2)C2CC2)CC1 ZINC000570048665 823000936 /nfs/dbraw/zinc/00/09/36/823000936.db2.gz BXLSUJBJCNSMGJ-XMMPIXPASA-N 1 0 377.532 4.134 20 0 GIADRO Cc1cnc([C@@H](NC(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)C2CC2)s1 ZINC000175580177 823001523 /nfs/dbraw/zinc/00/15/23/823001523.db2.gz SWDCOIUPWGVOLB-BEFAXECRSA-N 1 0 386.565 4.112 20 0 GIADRO Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+][C@@H]2CCN(C)[C@@H](C)C2)C1 ZINC000570066586 823002393 /nfs/dbraw/zinc/00/23/93/823002393.db2.gz AIYAVDLKRGGHIK-UHOSZYNNSA-N 1 0 394.401 4.107 20 0 GIADRO O=C(c1ccc(Oc2ccc(F)cc2F)cc1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000570088596 823004821 /nfs/dbraw/zinc/00/48/21/823004821.db2.gz HLNUMGITMWJQCK-IAGOWNOFSA-N 1 0 386.442 4.219 20 0 GIADRO Cc1cc(CNC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)ccc1Cl ZINC000187057200 823004904 /nfs/dbraw/zinc/00/49/04/823004904.db2.gz JIYBBWKJVYOITF-UHFFFAOYSA-N 1 0 375.900 4.047 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)c2ccccc2CSc2nc3ccccc3[nH]2)CC[N@@H+]1C ZINC000570094465 823005318 /nfs/dbraw/zinc/00/53/18/823005318.db2.gz AFQRQPWZJQKIGH-NVXWUHKLSA-N 1 0 394.544 4.068 20 0 GIADRO CC(C)OCC[NH+]1CCC(NC(=O)Nc2cccc(OC3CCCC3)c2)CC1 ZINC000175609453 823006050 /nfs/dbraw/zinc/00/60/50/823006050.db2.gz GGFLTKRIAJQNCE-UHFFFAOYSA-N 1 0 389.540 4.019 20 0 GIADRO Cc1nn(C)c(N2CCOCC2)c1C[N@@H+](CC(C)C)[C@@H](C)c1ccccc1C ZINC000570112022 823006586 /nfs/dbraw/zinc/00/65/86/823006586.db2.gz GTJNNPVRQXNWPH-FQEVSTJZSA-N 1 0 384.568 4.093 20 0 GIADRO CC(C)(C)[C@H]1C[C@@H]([NH2+]CCCS(=O)(=O)c2ccc(Cl)cc2)CS1 ZINC000570113457 823006829 /nfs/dbraw/zinc/00/68/29/823006829.db2.gz NKVGENCEJIHDDW-GDBMZVCRSA-N 1 0 375.987 4.014 20 0 GIADRO Cc1ncc(NC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)c(C2CC2)n1 ZINC000570119968 823007435 /nfs/dbraw/zinc/00/74/35/823007435.db2.gz CPNIMIOUNFEVHT-IBGZPJMESA-N 1 0 399.926 4.274 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)Nc3scnc3C(C)C)c(C)c2)CC1 ZINC000570138821 823009779 /nfs/dbraw/zinc/00/97/79/823009779.db2.gz NCKHEYUEHFHPAM-UHFFFAOYSA-N 1 0 387.553 4.361 20 0 GIADRO Cc1nc(C)c([C@@H](C)N(C)C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)s1 ZINC000175631087 823009899 /nfs/dbraw/zinc/00/98/99/823009899.db2.gz ZPVVVPNIFXTPJL-NVXWUHKLSA-N 1 0 388.581 4.373 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)NCCCOC2CCCCC2)CC1 ZINC000175636997 823010657 /nfs/dbraw/zinc/01/06/57/823010657.db2.gz LPQWFGXQGWSSFA-UHFFFAOYSA-N 1 0 387.568 4.032 20 0 GIADRO COc1ccc(Br)c(C[NH2+][C@@H]2CCC[C@H](c3ccnn3C)C2)c1 ZINC000570154535 823011020 /nfs/dbraw/zinc/01/10/20/823011020.db2.gz DCKJDZAPSCTOPQ-DZGCQCFKSA-N 1 0 378.314 4.007 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000187106099 823011259 /nfs/dbraw/zinc/01/12/59/823011259.db2.gz GHHAGUWOVBANNS-RTWAWAEBSA-N 1 0 378.472 4.438 20 0 GIADRO c1c(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c(-c2ccccn2)nn1C1CCCC1 ZINC000570162487 823011487 /nfs/dbraw/zinc/01/14/87/823011487.db2.gz MSXZSDGFLBIUNW-XMSQKQJNSA-N 1 0 380.536 4.451 20 0 GIADRO CC[C@@H](c1ccncc1)N(C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000175642359 823011662 /nfs/dbraw/zinc/01/16/62/823011662.db2.gz YHKWOZMPBIYVPJ-COPCDDAFSA-N 1 0 380.536 4.227 20 0 GIADRO CCCC(=O)Nc1cccc(NC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)c1C ZINC000175643392 823011778 /nfs/dbraw/zinc/01/17/78/823011778.db2.gz MDYTZZKGKFWPJV-GOSISDBHSA-N 1 0 386.540 4.120 20 0 GIADRO CN1C(=O)CCc2cc(C[N@H+](C)Cc3cccc(OC(F)(F)F)c3)ccc21 ZINC000187112859 823012281 /nfs/dbraw/zinc/01/22/81/823012281.db2.gz HFTCIKTYPFRVDV-UHFFFAOYSA-N 1 0 378.394 4.126 20 0 GIADRO CCCO[C@@H]1CCCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000175647717 823012488 /nfs/dbraw/zinc/01/24/88/823012488.db2.gz GDGQCWNSLPFRIH-BAGYTPMASA-N 1 0 387.568 4.030 20 0 GIADRO CCCOc1ccc(C[NH2+][C@@H](Cc2ccncc2)c2ccc(OC)cc2)cn1 ZINC000570183728 823013239 /nfs/dbraw/zinc/01/32/39/823013239.db2.gz QBIGHCWGSHGTSB-QFIPXVFZSA-N 1 0 377.488 4.348 20 0 GIADRO Cc1ccc(C(=O)C2CCN(C(=O)Nc3ccc4c(c3)C[NH2+]C4)CC2)c(C)c1 ZINC000570184181 823013301 /nfs/dbraw/zinc/01/33/01/823013301.db2.gz CKPJVKDEPQAQBL-UHFFFAOYSA-N 1 0 377.488 4.033 20 0 GIADRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1csc(-c2cccs2)n1 ZINC000175653966 823013438 /nfs/dbraw/zinc/01/34/38/823013438.db2.gz JIEYSPXUAFFTIN-UHFFFAOYSA-N 1 0 377.560 4.137 20 0 GIADRO C[C@H]([NH2+]CC(C)(C)c1ccc(Cl)c(Cl)c1)C1CCS(=O)(=O)CC1 ZINC000187123354 823014071 /nfs/dbraw/zinc/01/40/71/823014071.db2.gz VXTNNKDGAICZCG-LBPRGKRZSA-N 1 0 378.365 4.074 20 0 GIADRO CC[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1C)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000570195698 823014201 /nfs/dbraw/zinc/01/42/01/823014201.db2.gz VSGSUCMLKISHJJ-IFMALSPDSA-N 1 0 394.519 4.070 20 0 GIADRO CC[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1C)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000570195700 823014245 /nfs/dbraw/zinc/01/42/45/823014245.db2.gz VSGSUCMLKISHJJ-IRLDBZIGSA-N 1 0 394.519 4.070 20 0 GIADRO OC[C@]1(Cc2ccc(F)cc2)CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000570196944 823014458 /nfs/dbraw/zinc/01/44/58/823014458.db2.gz MAHFIWUKBYGDLX-FQEVSTJZSA-N 1 0 397.412 4.194 20 0 GIADRO Cc1ccc([C@@H](C[NH2+][C@H](C)c2ncc(Br)cc2F)N2CCCC2)o1 ZINC000187132968 823015536 /nfs/dbraw/zinc/01/55/36/823015536.db2.gz IDHXALRXTWKHAG-CZUORRHYSA-N 1 0 396.304 4.372 20 0 GIADRO C[C@H]([NH2+]Cc1cnc(C(C)(C)C)nc1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000570220357 823016338 /nfs/dbraw/zinc/01/63/38/823016338.db2.gz UJDOWGUTSCSTSR-INIZCTEOSA-N 1 0 389.503 4.272 20 0 GIADRO Cc1ccc2cc(C[N@@H+]3CCCN(C(=O)Oc4ccccc4)CC3)ccc2n1 ZINC000187146364 823017538 /nfs/dbraw/zinc/01/75/38/823017538.db2.gz OLKWSRNMNCCAEM-UHFFFAOYSA-N 1 0 375.472 4.250 20 0 GIADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H]2CCSc3cc(C)c(C)cc32)c1 ZINC000187148854 823017657 /nfs/dbraw/zinc/01/76/57/823017657.db2.gz LZIPJGIWYRVFMN-BEFAXECRSA-N 1 0 390.574 4.099 20 0 GIADRO C[C@H](C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccc(Cl)s1 ZINC000175677161 823018213 /nfs/dbraw/zinc/01/82/13/823018213.db2.gz SQCBSCUXSRUSRQ-ZDUSSCGKSA-N 1 0 380.916 4.425 20 0 GIADRO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CC[C@@H](O)C(F)(F)F)cc1 ZINC000570247984 823018915 /nfs/dbraw/zinc/01/89/15/823018915.db2.gz HBPNFKZQJUXIJU-LJQANCHMSA-N 1 0 389.421 4.251 20 0 GIADRO COc1ccc(C[C@H](C)C[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)cc1F ZINC000187159103 823018941 /nfs/dbraw/zinc/01/89/41/823018941.db2.gz CHALHLKUZBNLBH-JKSUJKDBSA-N 1 0 386.467 4.320 20 0 GIADRO O=C(Nc1ccc(Oc2ccc(Cl)cc2)nc1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000175681426 823019158 /nfs/dbraw/zinc/01/91/58/823019158.db2.gz ZEVMHNUSZDPTCJ-QGZVFWFLSA-N 1 0 384.867 4.005 20 0 GIADRO C[C@H](CCNC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[N@H+](C)Cc1ccccc1 ZINC000175683941 823019801 /nfs/dbraw/zinc/01/98/01/823019801.db2.gz WYXAXCOGISQGEC-QGZVFWFLSA-N 1 0 394.519 4.067 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1C ZINC000175691739 823021526 /nfs/dbraw/zinc/02/15/26/823021526.db2.gz YXRBMGCHQKKIJD-FQEVSTJZSA-N 1 0 394.519 4.082 20 0 GIADRO CC(C)C(=O)Nc1cccc(NC(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000175693883 823021862 /nfs/dbraw/zinc/02/18/62/823021862.db2.gz BAIVLLQNVZVBKB-GOSISDBHSA-N 1 0 396.535 4.313 20 0 GIADRO C[C@H](NC(=O)CCc1ncc(-c2ccccc2)o1)[C@H](c1ccccc1)[NH+](C)C ZINC000187183903 823021989 /nfs/dbraw/zinc/02/19/89/823021989.db2.gz HEMGWIWJZFSMBH-GAJHUEQPSA-N 1 0 377.488 4.082 20 0 GIADRO O=C(CC[N@@H+]1CCCC[C@@H]1c1nc2ccccc2[nH]1)N1CCc2ccccc2C1 ZINC000570280289 823022034 /nfs/dbraw/zinc/02/20/34/823022034.db2.gz GEYKCVOIAYMVTI-JOCHJYFZSA-N 1 0 388.515 4.065 20 0 GIADRO O=C(CC[N@@H+]1CCCC[C@H]1c1nc2ccccc2[nH]1)N1CCc2ccccc2C1 ZINC000570280294 823022100 /nfs/dbraw/zinc/02/21/00/823022100.db2.gz GEYKCVOIAYMVTI-QFIPXVFZSA-N 1 0 388.515 4.065 20 0 GIADRO Cn1ccnc1[C@@H]1C[C@@H]([NH2+][C@H](Cc2cccnc2)c2cccc(Cl)c2)CCO1 ZINC000570283645 823022260 /nfs/dbraw/zinc/02/22/60/823022260.db2.gz BDXWXXGZVRDCKX-HBMCJLEFSA-N 1 0 396.922 4.262 20 0 GIADRO Cc1oc(-c2cccs2)nc1CC(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000187186081 823022284 /nfs/dbraw/zinc/02/22/84/823022284.db2.gz UNGBTLGYSBMCMQ-XOBRGWDASA-N 1 0 383.517 4.062 20 0 GIADRO CC[C@H](c1cccc(OC)c1)[N@H+](C)CC(=O)Nc1ccnn1Cc1cccs1 ZINC000570284724 823022336 /nfs/dbraw/zinc/02/23/36/823022336.db2.gz KQBOITMEBFNFAD-LJQANCHMSA-N 1 0 398.532 4.023 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)NCCc3c[nH]c4cc(F)ccc34)ccc21 ZINC000570288488 823022829 /nfs/dbraw/zinc/02/28/29/823022829.db2.gz LWQZZMFWRIVXLG-NRFANRHFSA-N 1 0 380.467 4.220 20 0 GIADRO C[C@H](CN[C@@H](C)c1ncc(Br)cc1F)[N@H+](C)Cc1ccccc1 ZINC000187190995 823023013 /nfs/dbraw/zinc/02/30/13/823023013.db2.gz AIQWUVILXGGJFR-KGLIPLIRSA-N 1 0 380.305 4.154 20 0 GIADRO FC(F)(F)c1cccc(C2([NH2+]CCCO[C@@H]3CCCCO3)CCOCC2)c1 ZINC000570297026 823023323 /nfs/dbraw/zinc/02/33/23/823023323.db2.gz QBZOJZPHOWVLRG-GOSISDBHSA-N 1 0 387.442 4.234 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(C[S@](C)=O)cc2)c(Br)c1 ZINC000570302245 823023902 /nfs/dbraw/zinc/02/39/02/823023902.db2.gz XHKGHIHVRFEETC-ZLOXQWCVSA-N 1 0 396.350 4.187 20 0 GIADRO C[C@@H](NC(=O)c1ccc(-c2nc(C3CC3)no2)cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000187201870 823024288 /nfs/dbraw/zinc/02/42/88/823024288.db2.gz NQFRQRVCTXJMFG-QRWLVFNGSA-N 1 0 390.487 4.035 20 0 GIADRO C[NH+]1CCN(C[C@H](NC(=O)c2ccc(C3CCCC3)cc2)c2ccccc2)CC1 ZINC000570313909 823024801 /nfs/dbraw/zinc/02/48/01/823024801.db2.gz PWQCSAUROLDOEU-DEOSSOPVSA-N 1 0 391.559 4.063 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2)C1)c1ncc(Br)cc1F ZINC000187208486 823025133 /nfs/dbraw/zinc/02/51/33/823025133.db2.gz BUQWHWPATDFBMR-UKRRQHHQSA-N 1 0 378.289 4.303 20 0 GIADRO COc1c(Br)cccc1C[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000187212229 823025636 /nfs/dbraw/zinc/02/56/36/823025636.db2.gz BXHAKOHEWNLPGY-UHFFFAOYSA-N 1 0 386.236 4.391 20 0 GIADRO C[C@@H](NC(=O)c1cccc(Oc2ccncc2)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000187230273 823028122 /nfs/dbraw/zinc/02/81/22/823028122.db2.gz QRBGPXOUKURYJQ-VGOFRKELSA-N 1 0 375.472 4.295 20 0 GIADRO O=C(N[C@@H](c1ccccc1)C1CC1)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000570353120 823028240 /nfs/dbraw/zinc/02/82/40/823028240.db2.gz RFEPFBKIDIFGEP-UKILVPOCSA-N 1 0 389.543 4.445 20 0 GIADRO CCOCCOc1c(Cl)cccc1NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000175730802 823028264 /nfs/dbraw/zinc/02/82/64/823028264.db2.gz ZCBVZMYVVFIBQY-MRXNPFEDSA-N 1 0 397.947 4.093 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccccc2N(C)Cc2ccccc2)CC[N@@H+]1C ZINC000175733319 823028823 /nfs/dbraw/zinc/02/88/23/823028823.db2.gz DYLBOVNVBPGXDW-QUCCMNQESA-N 1 0 380.536 4.269 20 0 GIADRO C[C@@H](NC(=O)Cc1csc(Cc2ccccc2)n1)[C@@H](c1ccccc1)[NH+](C)C ZINC000187241948 823029280 /nfs/dbraw/zinc/02/92/80/823029280.db2.gz VXKMJDWIYXNELQ-HXOBKFHXSA-N 1 0 393.556 4.084 20 0 GIADRO Cc1cnc(CC[N@@H+](C)Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)s1 ZINC000570365576 823029606 /nfs/dbraw/zinc/02/96/06/823029606.db2.gz LQSUEFDJYMDVAE-UHFFFAOYSA-N 1 0 380.439 4.331 20 0 GIADRO O[C@H](c1ccc(F)cc1)C1CC[NH+](Cc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000187251718 823030811 /nfs/dbraw/zinc/03/08/11/823030811.db2.gz ZMYDRFIFPHLKJY-HSZRJFAPSA-N 1 0 397.469 4.155 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)Nc2ccc([S@](C)=O)cc2)cc1 ZINC000175748395 823031423 /nfs/dbraw/zinc/03/14/23/823031423.db2.gz GVUHHXSXCKEWDE-HPGBDJQBSA-N 1 0 399.560 4.120 20 0 GIADRO CC[C@H](C)n1c2ccc(NC(=O)NC[C@H]3CCC[NH2+]C3)cc2nc1C(F)(F)F ZINC000570380905 823031655 /nfs/dbraw/zinc/03/16/55/823031655.db2.gz QTLFRGNHLNKQSE-STQMWFEESA-N 1 0 397.445 4.147 20 0 GIADRO Cc1cc(C[NH2+][C@@H](C)c2cccc(OC(F)(F)F)c2)ccc1-n1cncn1 ZINC000175752158 823031907 /nfs/dbraw/zinc/03/19/07/823031907.db2.gz KZHVBWIFCREKCN-AWEZNQCLSA-N 1 0 376.382 4.325 20 0 GIADRO COc1cc(C[NH2+][C@@H](C)c2cccc(OC(F)(F)F)c2)cc(OC)c1OC ZINC000175752947 823032052 /nfs/dbraw/zinc/03/20/52/823032052.db2.gz RWJIPUSXAYBGTA-LBPRGKRZSA-N 1 0 385.382 4.462 20 0 GIADRO CC[C@@H](C)C(=O)Nc1cccc(C[NH2+]CCC(=O)Nc2cccc(F)c2C)c1 ZINC000570389065 823032296 /nfs/dbraw/zinc/03/22/96/823032296.db2.gz LOAUWKDZBZIOAY-OAHLLOKOSA-N 1 0 385.483 4.237 20 0 GIADRO O[C@H](C[NH2+]C[C@H](c1ccccc1)C(F)(F)F)COCc1ccc(Cl)cc1 ZINC000570390854 823032452 /nfs/dbraw/zinc/03/24/52/823032452.db2.gz RAMYZTYTIGEDDR-QZTJIDSGSA-N 1 0 387.829 4.153 20 0 GIADRO Cc1c(C2CC2)nc2ccc(Br)cc2c1C(=O)N[C@@H](C)CCC[NH3+] ZINC000570399824 823032859 /nfs/dbraw/zinc/03/28/59/823032859.db2.gz MCGLGABPOWXRBD-NSHDSACASA-N 1 0 390.325 4.040 20 0 GIADRO C[C@@H](CC[NH2+][C@@H](C)C1CCS(=O)(=O)CC1)c1cccc(C(F)(F)F)c1 ZINC000187271041 823034194 /nfs/dbraw/zinc/03/41/94/823034194.db2.gz FOHYNWCBZQREMM-KBPBESRZSA-N 1 0 377.472 4.002 20 0 GIADRO CCCOc1ccccc1[C@H](CC(C)C)[NH2+][C@H](C)C1CCS(=O)(=O)CC1 ZINC000187271434 823034413 /nfs/dbraw/zinc/03/44/13/823034413.db2.gz JCJJSXQKFSOCFX-XLIONFOSSA-N 1 0 381.582 4.366 20 0 GIADRO C[C@@H](NC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)c1cccc(O)c1 ZINC000187272944 823034700 /nfs/dbraw/zinc/03/47/00/823034700.db2.gz OEFBBLPHXJFYGG-FZKQIMNGSA-N 1 0 395.425 4.074 20 0 GIADRO C[C@@H]([NH2+]Cc1ccnc(OC2CCC(C)CC2)c1)c1ccc2c(c1)OCC(=O)N2 ZINC000570418541 823035125 /nfs/dbraw/zinc/03/51/25/823035125.db2.gz BKZYCSIMBZWRJH-KOHRHEQBSA-N 1 0 395.503 4.221 20 0 GIADRO CC[C@](C)([NH2+]C[C@@H](O)c1ccc(F)c(Br)c1)c1nc(C)cs1 ZINC000187275040 823035289 /nfs/dbraw/zinc/03/52/89/823035289.db2.gz PTTZDZCSVSDPND-ZBFHGGJFSA-N 1 0 387.318 4.302 20 0 GIADRO CCSCC[C@@H](C)N(C)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000175770748 823036411 /nfs/dbraw/zinc/03/64/11/823036411.db2.gz YAMBCUWBXNQNPR-QGZVFWFLSA-N 1 0 395.638 4.273 20 0 GIADRO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2cc(Br)cc(C)c2O)C1 ZINC000187283112 823036452 /nfs/dbraw/zinc/03/64/52/823036452.db2.gz NUQJAUYCXJHWSL-VHAXZPJVSA-N 1 0 388.371 4.194 20 0 GIADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]C[C@@H](c1cccnc1)C(C)C ZINC000187286180 823037078 /nfs/dbraw/zinc/03/70/78/823037078.db2.gz HOHFCOQPQFJDKO-QGZVFWFLSA-N 1 0 380.941 4.058 20 0 GIADRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)Nc1ccc(O[C@H]2CCOC2)cc1 ZINC000187288231 823037348 /nfs/dbraw/zinc/03/73/48/823037348.db2.gz PHSQBNOZPWJVGF-FQEVSTJZSA-N 1 0 389.540 4.021 20 0 GIADRO CC(=O)Nc1ccc(C)c(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000187289889 823037485 /nfs/dbraw/zinc/03/74/85/823037485.db2.gz IUAKABAOEJUIPC-UHFFFAOYSA-N 1 0 399.922 4.001 20 0 GIADRO CC(C)(C)c1ccc([C@H]2CCCN2C(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)cc1 ZINC000570440517 823038788 /nfs/dbraw/zinc/03/87/88/823038788.db2.gz XBQPRSGEXQTHRN-NHCUHLMSSA-N 1 0 380.536 4.082 20 0 GIADRO CC[C@H](NC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)c1nccs1 ZINC000458428044 823039147 /nfs/dbraw/zinc/03/91/47/823039147.db2.gz UVXRANIDXSXPJA-IBGZPJMESA-N 1 0 398.576 4.292 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)C2(c3cc(C(F)(F)F)ccc3Cl)CC2)CC[N@@H+]1C ZINC000187298993 823039239 /nfs/dbraw/zinc/03/92/39/823039239.db2.gz NIMOBAFOBZEBJD-TZMCWYRMSA-N 1 0 388.861 4.332 20 0 GIADRO c1ccc(C[N@@H+]2CC[C@@H]3CN(c4nc(-c5ccccc5)ns4)C[C@H]3C2)cc1 ZINC000570443465 823039348 /nfs/dbraw/zinc/03/93/48/823039348.db2.gz ZLAGMZFUOXIZPS-WOJBJXKFSA-N 1 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ZINC000458453146 823042367 /nfs/dbraw/zinc/04/23/67/823042367.db2.gz YAFQROLUJKSRPU-IAGOWNOFSA-N 1 0 375.479 4.013 20 0 GIADRO CC[C@H](NC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)c1ccncc1 ZINC000187320550 823043036 /nfs/dbraw/zinc/04/30/36/823043036.db2.gz QIOKXFNNYFYBFT-ROUUACIJSA-N 1 0 394.441 4.154 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH2+]CCc1nnc(-c2ccccc2)o1 ZINC000187332030 823044741 /nfs/dbraw/zinc/04/47/41/823044741.db2.gz QKFDVTWHHMANQJ-UHFFFAOYSA-N 1 0 386.455 4.140 20 0 GIADRO C[N@H+](Cc1nnc(-c2ccccc2Br)o1)CC1(O)CCCCCC1 ZINC000187332593 823044799 /nfs/dbraw/zinc/04/47/99/823044799.db2.gz MYFVIOVYSRLHDV-UHFFFAOYSA-N 1 0 394.313 4.016 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)Nc1ccccc1OC(F)F ZINC000123802814 823541930 /nfs/dbraw/zinc/54/19/30/823541930.db2.gz AZHUGKSPDRCETM-HNNXBMFYSA-N 1 0 379.407 4.230 20 0 GIADRO Nc1ccc(F)c(NC(=O)CC[N@@H+]2CCCCC[C@H]2C[C@H](O)c2ccccc2)c1 ZINC000123815960 823543015 /nfs/dbraw/zinc/54/30/15/823543015.db2.gz IRHGEVKSSWWUOI-UGKGYDQZSA-N 1 0 399.510 4.105 20 0 GIADRO Cc1c2ccccc2oc1[C@H](C)[NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000177895451 823543134 /nfs/dbraw/zinc/54/31/34/823543134.db2.gz JYSNOFOHBQTHPM-KRWDZBQOSA-N 1 0 398.528 4.377 20 0 GIADRO CCCCOc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(-n3cnnn3)cc2)cc1OC ZINC000177899325 823543607 /nfs/dbraw/zinc/54/36/07/823543607.db2.gz GVNKTKJEWAZWRG-SJORKVTESA-N 1 0 395.507 4.262 20 0 GIADRO Cc1cc(C[N@@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)c2ccccc2n1 ZINC000123833681 823544218 /nfs/dbraw/zinc/54/42/18/823544218.db2.gz PPDOSXLQQZYUBQ-UHFFFAOYSA-N 1 0 377.463 4.030 20 0 GIADRO Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]Cc1cccnc1-n1cccn1 ZINC000177905647 823544411 /nfs/dbraw/zinc/54/44/11/823544411.db2.gz RZYOVSMQWYQHHT-INIZCTEOSA-N 1 0 389.528 4.474 20 0 GIADRO CCOc1ccc([C@H](CC)[NH2+]Cc2cccnc2-n2cccn2)cc1OCC ZINC000177907239 823544660 /nfs/dbraw/zinc/54/46/60/823544660.db2.gz PBDDVVLHFCJPBA-IBGZPJMESA-N 1 0 380.492 4.306 20 0 GIADRO O=C(c1ccc2nccnc2c1)N(CCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000411097517 823545405 /nfs/dbraw/zinc/54/54/05/823545405.db2.gz CETAJSBKICLREE-UHFFFAOYSA-N 1 0 394.906 4.416 20 0 GIADRO CCc1cc(NC(=O)C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)ccc1C ZINC000190183021 823547569 /nfs/dbraw/zinc/54/75/69/823547569.db2.gz ROONFROIEZCSFI-UHFFFAOYSA-N 1 0 379.504 4.121 20 0 GIADRO O=C1CCCCCN1CCC[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000190685684 823598325 /nfs/dbraw/zinc/59/83/25/823598325.db2.gz SBDKWAABROBURF-UHFFFAOYSA-N 1 0 379.751 4.046 20 0 GIADRO C[C@@H](C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(F)c(F)c1 ZINC000460943853 823547751 /nfs/dbraw/zinc/54/77/51/823547751.db2.gz ONNBCHZQELGCJN-HUUCEWRRSA-N 1 0 378.488 4.158 20 0 GIADRO O=C(c1ccoc1)N1CCC([NH2+]CCOc2ccccc2-c2ccccc2)CC1 ZINC000177933179 823547832 /nfs/dbraw/zinc/54/78/32/823547832.db2.gz TZCADLAHRZHHJU-UHFFFAOYSA-N 1 0 390.483 4.220 20 0 GIADRO CC1CC[NH+](C2CCC(NC(=O)N[C@H]3COc4cccc(Cl)c43)CC2)CC1 ZINC000460951332 823549340 /nfs/dbraw/zinc/54/93/40/823549340.db2.gz VZDHLZDSFRLHCY-HTWSVDAQSA-N 1 0 391.943 4.116 20 0 GIADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000460952035 823549539 /nfs/dbraw/zinc/54/95/39/823549539.db2.gz ACVWRAQKZIZPDM-HZPDHXFCSA-N 1 0 382.470 4.364 20 0 GIADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCc1cccc(-c2ccccn2)c1 ZINC000460954698 823549831 /nfs/dbraw/zinc/54/98/31/823549831.db2.gz WEOVRPKVBDUWQA-LJQANCHMSA-N 1 0 388.515 4.068 20 0 GIADRO Cc1cnc(NC(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)s1 ZINC000123897314 823549830 /nfs/dbraw/zinc/54/98/30/823549830.db2.gz LKLACOJTIREMMD-UHFFFAOYSA-N 1 0 398.454 4.210 20 0 GIADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ncoc1-c1ccccc1Cl ZINC000460956029 823550159 /nfs/dbraw/zinc/55/01/59/823550159.db2.gz GKKWQEKNIITOCA-QLFBSQMISA-N 1 0 375.900 4.091 20 0 GIADRO c1ccc(-c2noc([C@H]3CCCC[N@H+]3CC3CCC4(CC3)OCCO4)n2)cc1 ZINC000190213672 823551541 /nfs/dbraw/zinc/55/15/41/823551541.db2.gz ZKPDWALZSRXVSJ-LJQANCHMSA-N 1 0 383.492 4.197 20 0 GIADRO O=C(C[C@H](c1ccc(O)cc1)C1CC1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000411150907 823551854 /nfs/dbraw/zinc/55/18/54/823551854.db2.gz YGKFFZSWJMEGIQ-SFTDATJTSA-N 1 0 382.504 4.212 20 0 GIADRO C[C@@H](C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1)n1cnc2ccccc21 ZINC000060673524 823551977 /nfs/dbraw/zinc/55/19/77/823551977.db2.gz VYNQHKDQNDOYAG-IBGZPJMESA-N 1 0 390.531 4.146 20 0 GIADRO CC[C@H](C)[N@H+](CCc1cncs1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000411155015 823552422 /nfs/dbraw/zinc/55/24/22/823552422.db2.gz NQMDAGATERFKCT-ZDUSSCGKSA-N 1 0 385.455 4.444 20 0 GIADRO CC[C@H](C(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1)c1ccc(F)cc1 ZINC000460968533 823552694 /nfs/dbraw/zinc/55/26/94/823552694.db2.gz IRVSQNPOPLWANZ-FCHUYYIVSA-N 1 0 384.495 4.281 20 0 GIADRO CS(=O)(=O)c1cccc([C@H]([NH2+]C[C@@H]2CC=CCC2)c2ccc(F)c(F)c2)c1 ZINC000123931314 823552787 /nfs/dbraw/zinc/55/27/87/823552787.db2.gz RFELSYVJRZBUDF-VFNWGFHPSA-N 1 0 391.483 4.404 20 0 GIADRO Cc1ccc(-c2nc(C)c(C(=O)NCCCC[NH+]3CCC(C)CC3)s2)o1 ZINC000060703114 823553399 /nfs/dbraw/zinc/55/33/99/823553399.db2.gz XRRQROXNVFQAJD-UHFFFAOYSA-N 1 0 375.538 4.262 20 0 GIADRO CC[C@H](C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)C1CCC(C)CC1 ZINC000460977946 823554514 /nfs/dbraw/zinc/55/45/14/823554514.db2.gz HQHBJWNZYXMCEE-DJFKLQJRSA-N 1 0 378.601 4.187 20 0 GIADRO CC[C@H](C(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1)C1CCC(C)CC1 ZINC000460977954 823554711 /nfs/dbraw/zinc/55/47/11/823554711.db2.gz HQHBJWNZYXMCEE-XPFMLOMISA-N 1 0 378.601 4.187 20 0 GIADRO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](Cc2ccc(C(C)C)cc2)C1 ZINC000460981617 823555290 /nfs/dbraw/zinc/55/52/90/823555290.db2.gz HYKGPHJKWXDSDH-QUCCMNQESA-N 1 0 382.552 4.052 20 0 GIADRO Fc1cccc(N2CCCC2)c1C[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000123958148 823555413 /nfs/dbraw/zinc/55/54/13/823555413.db2.gz KOSUIGHQKAICPR-UHFFFAOYSA-N 1 0 382.508 4.277 20 0 GIADRO O=C(C[C@@H](c1ccc(O)cc1)C1CC1)NCc1ccccc1C[NH+]1CCCC1 ZINC000411204128 823557231 /nfs/dbraw/zinc/55/72/31/823557231.db2.gz ZYNRTEPKDOSRKQ-HSZRJFAPSA-N 1 0 378.516 4.188 20 0 GIADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2cc(Cl)ccc2Br)C1 ZINC000124442787 823597376 /nfs/dbraw/zinc/59/73/76/823597376.db2.gz MATJLPJQGISYFZ-CYBMUJFWSA-N 1 0 387.749 4.200 20 0 GIADRO C[C@H]1CC[N@H+](C)CCN1C(=O)C1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC000461003165 823557750 /nfs/dbraw/zinc/55/77/50/823557750.db2.gz VGTFGNRGQBDKES-INIZCTEOSA-N 1 0 382.470 4.460 20 0 GIADRO CC[NH+]1CCC(NC(=O)c2ccccc2CSc2nc3ccccc3[nH]2)CC1 ZINC000060793466 823558075 /nfs/dbraw/zinc/55/80/75/823558075.db2.gz CRCRJLOXNDVHCG-UHFFFAOYSA-N 1 0 394.544 4.069 20 0 GIADRO Cc1cc(C)c(Br)c(C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)c1 ZINC000461009945 823558631 /nfs/dbraw/zinc/55/86/31/823558631.db2.gz WPRGYJKBCLYDEW-UHFFFAOYSA-N 1 0 393.300 4.067 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)cnn1-c1ccc(F)cc1 ZINC000124006007 823559192 /nfs/dbraw/zinc/55/91/92/823559192.db2.gz FTCKVNWKXVZMRM-HNAYVOBHSA-N 1 0 392.478 4.055 20 0 GIADRO COc1ccc2oc(C[NH2+]Cc3ccccc3CN3C[C@H](C)O[C@@H](C)C3)cc2c1 ZINC000124005991 823559304 /nfs/dbraw/zinc/55/93/04/823559304.db2.gz YDXCZYUACZYUAG-ROUUACIJSA-N 1 0 394.515 4.340 20 0 GIADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)N[C@@H]1CCc2sc(Cl)cc21)c1ccco1 ZINC000461015529 823559412 /nfs/dbraw/zinc/55/94/12/823559412.db2.gz MXKQKLLJTVLCAV-YUTCNCBUSA-N 1 0 381.929 4.410 20 0 GIADRO CCOc1ccc(CC[NH2+]Cc2cc3c(cc2OC)C[C@H](C)O3)cc1OCC ZINC000060817274 823559456 /nfs/dbraw/zinc/55/94/56/823559456.db2.gz VGXTXRBYVVYRCJ-INIZCTEOSA-N 1 0 385.504 4.148 20 0 GIADRO CCOc1cc(C[NH2+][C@H]2CCCC[C@H]2C)ccc1OCC(=O)N1CCCCC1 ZINC000060816853 823559461 /nfs/dbraw/zinc/55/94/61/823559461.db2.gz ARHXMDQSWQKCSH-QUCCMNQESA-N 1 0 388.552 4.145 20 0 GIADRO CCCOc1c(Cl)cc(C[NH2+]CC(=O)Nc2ccc(F)c(F)c2)cc1OC ZINC000060818724 823559621 /nfs/dbraw/zinc/55/96/21/823559621.db2.gz ZGVNZCUUTHIFOQ-UHFFFAOYSA-N 1 0 398.837 4.144 20 0 GIADRO O=C(C[NH2+]Cc1ccc(OCc2ccccc2)cc1)Nc1ccc(F)c(F)c1 ZINC000060818660 823559684 /nfs/dbraw/zinc/55/96/84/823559684.db2.gz VSKDUQSIIFCIPP-UHFFFAOYSA-N 1 0 382.410 4.272 20 0 GIADRO Fc1ccc([C@H](C[NH2+]Cc2ccc(Cl)c(Cl)c2)N2CCOCC2)cc1 ZINC000060818169 823559700 /nfs/dbraw/zinc/55/97/00/823559700.db2.gz QAPHLXZKGIPHCA-IBGZPJMESA-N 1 0 383.294 4.296 20 0 GIADRO COc1cc(C[NH2+]CCCN2CCCCCC2=O)ccc1OCc1ccccc1 ZINC000060831009 823560753 /nfs/dbraw/zinc/56/07/53/823560753.db2.gz LYQIIICTSMRTKJ-UHFFFAOYSA-N 1 0 396.531 4.157 20 0 GIADRO CCCOc1ccc(Br)cc1C[NH2+]CCCN1CCCCCC1=O ZINC000060831053 823560775 /nfs/dbraw/zinc/56/07/75/823560775.db2.gz PYNYCYRTRKTFRH-UHFFFAOYSA-N 1 0 397.357 4.120 20 0 GIADRO CC1CC[NH+](Cc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N(C)C)cc2)CC1 ZINC000060833666 823561109 /nfs/dbraw/zinc/56/11/09/823561109.db2.gz IPFILMRREJXANI-UHFFFAOYSA-N 1 0 396.491 4.145 20 0 GIADRO COc1ccc(C[N@H+](C)C[C@H](O)COc2ccc(Cl)cc2Cl)cc1F ZINC000060845383 823561714 /nfs/dbraw/zinc/56/17/14/823561714.db2.gz LYMCPONYVOJINE-AWEZNQCLSA-N 1 0 388.266 4.013 20 0 GIADRO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C[N@@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000411310126 823563798 /nfs/dbraw/zinc/56/37/98/823563798.db2.gz TZRHPOSEBOYEKQ-ZDUSSCGKSA-N 1 0 397.466 4.225 20 0 GIADRO O=C(Nc1ccccc1O)C1CC[NH+](Cc2ccc(-c3ncco3)cc2F)CC1 ZINC000411324090 823564587 /nfs/dbraw/zinc/56/45/87/823564587.db2.gz MILREVHJVNVNKJ-UHFFFAOYSA-N 1 0 395.434 4.037 20 0 GIADRO O=C(C[N@@H+]1CCC[C@@H]1CC1CCCCC1)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000060892632 823564929 /nfs/dbraw/zinc/56/49/29/823564929.db2.gz HDYLVFLZSPWFKU-JTHBVZDNSA-N 1 0 383.580 4.064 20 0 GIADRO Cc1cc(Br)cc(C[NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)c1OC(F)F ZINC000190349803 823565328 /nfs/dbraw/zinc/56/53/28/823565328.db2.gz QTKNMHLCPUKEGO-MCIONIFRSA-N 1 0 376.241 4.016 20 0 GIADRO CCOC(=O)c1ccc(C[NH2+]C(C)(C)c2ccc(Br)cc2)nc1 ZINC000411345020 823565636 /nfs/dbraw/zinc/56/56/36/823565636.db2.gz XWJJNTKEAQVVQM-UHFFFAOYSA-N 1 0 377.282 4.046 20 0 GIADRO O=C(C[C@@H](Cc1ccccc1)c1ccccc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000461051296 823566047 /nfs/dbraw/zinc/56/60/47/823566047.db2.gz LNGWVLJKZKSZJB-ISKFKSNPSA-N 1 0 376.544 4.347 20 0 GIADRO O=c1[nH]c(CC[NH2+]C2(c3ccc(Br)cc3)CCC2)nc2ccccc21 ZINC000411356987 823566144 /nfs/dbraw/zinc/56/61/44/823566144.db2.gz USIFGTIZNFIRBM-UHFFFAOYSA-N 1 0 398.304 4.309 20 0 GIADRO CN(Cc1c(Cl)cccc1Cl)C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000411356501 823566176 /nfs/dbraw/zinc/56/61/76/823566176.db2.gz UCSIPPBDLWXKJK-CQSZACIVSA-N 1 0 387.376 4.169 20 0 GIADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 ZINC000124083511 823566152 /nfs/dbraw/zinc/56/61/52/823566152.db2.gz BXYYWFWHXAAKHF-UHFFFAOYSA-N 1 0 398.894 4.060 20 0 GIADRO Cc1cccnc1[C@H]([NH2+]CC(=O)N(Cc1ccco1)Cc1ccccc1)C(C)C ZINC000411374450 823567274 /nfs/dbraw/zinc/56/72/74/823567274.db2.gz CMNJVIMYTFLUOX-HSZRJFAPSA-N 1 0 391.515 4.499 20 0 GIADRO Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+]C[C@@](C)(O)c1ccsc1 ZINC000124095995 823567271 /nfs/dbraw/zinc/56/72/71/823567271.db2.gz MCXISRXXSKFKGV-GOSISDBHSA-N 1 0 379.888 4.032 20 0 GIADRO C[C@@H]1CC(C)(C)C[C@](CO)([NH2+]CCC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000411375815 823567316 /nfs/dbraw/zinc/56/73/16/823567316.db2.gz RQPUHDZPPRBSCL-AUUYWEPGSA-N 1 0 386.458 4.201 20 0 GIADRO C[C@@](O)(C[NH2+]Cc1cc(Br)ccc1OC(F)F)c1ccsc1 ZINC000124100302 823567536 /nfs/dbraw/zinc/56/75/36/823567536.db2.gz LPACURQMIBHWTI-OAHLLOKOSA-N 1 0 392.265 4.109 20 0 GIADRO C[C@](O)(C[NH2+]Cc1cc(Br)ccc1OC(F)F)c1ccsc1 ZINC000124100537 823567676 /nfs/dbraw/zinc/56/76/76/823567676.db2.gz LPACURQMIBHWTI-HNNXBMFYSA-N 1 0 392.265 4.109 20 0 GIADRO COc1cc(C[NH2+]C[C@](C)(O)c2ccsc2)c(-c2ccccc2)cc1OC ZINC000124102121 823567891 /nfs/dbraw/zinc/56/78/91/823567891.db2.gz PPZCZWWKWKEFIX-QFIPXVFZSA-N 1 0 383.513 4.430 20 0 GIADRO C[C@](O)(C[NH2+]Cc1cc2ccccc2nc1N1CCCCC1)c1ccsc1 ZINC000124119991 823569267 /nfs/dbraw/zinc/56/92/67/823569267.db2.gz HGZGQWVKRAWKOG-QFIPXVFZSA-N 1 0 381.545 4.284 20 0 GIADRO COCCOc1ccc(C[NH2+][C@@H](C)c2ccc(Br)cc2)cc1OC ZINC000060958979 823569431 /nfs/dbraw/zinc/56/94/31/823569431.db2.gz KXMGKBHQUKIKHY-AWEZNQCLSA-N 1 0 394.309 4.334 20 0 GIADRO CN(C)c1ccc(CNC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)cc1 ZINC000060971979 823570318 /nfs/dbraw/zinc/57/03/18/823570318.db2.gz FQWMGKRWSLXWSL-UHFFFAOYSA-N 1 0 394.563 4.128 20 0 GIADRO O=C(C[C@@H](c1ccc(O)cc1)C1CC1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000411400713 823570423 /nfs/dbraw/zinc/57/04/23/823570423.db2.gz OHHYQDYTBBYGTF-XMMPIXPASA-N 1 0 392.543 4.099 20 0 GIADRO Cc1ccc(C(=O)c2ccccc2C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1C ZINC000124134575 823570760 /nfs/dbraw/zinc/57/07/60/823570760.db2.gz VFDABRQGTFEUIU-UYAOXDASSA-N 1 0 378.516 4.089 20 0 GIADRO C[C@H](NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1cccc(OC(F)F)c1 ZINC000124137257 823570909 /nfs/dbraw/zinc/57/09/09/823570909.db2.gz BUUGEBMUMJWEHX-GMBSWORKSA-N 1 0 393.478 4.007 20 0 GIADRO C[N@@H+]1CCN(CCC(=O)Nc2c(Cl)cccc2Cl)[C@@H](c2ccccc2)C1 ZINC000411412531 823571492 /nfs/dbraw/zinc/57/14/92/823571492.db2.gz FCDJATYDLSHTTR-GOSISDBHSA-N 1 0 392.330 4.311 20 0 GIADRO COc1ccc2c(c1)CC[N@@H+](CCC(=O)Nc1ccccc1C(F)(F)F)CC2 ZINC000411412985 823571507 /nfs/dbraw/zinc/57/15/07/823571507.db2.gz YAMHFWWOCWOARF-UHFFFAOYSA-N 1 0 392.421 4.143 20 0 GIADRO CC(C)c1c(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cnn1-c1ccc(Cl)cc1 ZINC000124144016 823571609 /nfs/dbraw/zinc/57/16/09/823571609.db2.gz HMTLLFYHXSKVEC-YJBOKZPZSA-N 1 0 388.943 4.204 20 0 GIADRO CC[C@@]1(C)Oc2ccc(NC(=O)NC[C@H](c3cccs3)[NH+](C)C)cc2O1 ZINC000190422764 823571653 /nfs/dbraw/zinc/57/16/53/823571653.db2.gz AQRWUUZQCJQSNL-KUHUBIRLSA-N 1 0 375.494 4.070 20 0 GIADRO CSC[C@@H](CCO)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1C ZINC000124146887 823571786 /nfs/dbraw/zinc/57/17/86/823571786.db2.gz JOAGFIPWTXDFSZ-LJQANCHMSA-N 1 0 381.545 4.051 20 0 GIADRO CCOc1ccc(NC(=O)CC[NH+]2CC(c3nc4ccccc4s3)C2)cc1 ZINC000411417481 823571874 /nfs/dbraw/zinc/57/18/74/823571874.db2.gz GDWXRDXHLYQSSV-UHFFFAOYSA-N 1 0 381.501 4.123 20 0 GIADRO COc1cccc(CC[NH2+]Cc2cc(Br)ccc2OC(F)F)c1 ZINC000060998912 823571891 /nfs/dbraw/zinc/57/18/91/823571891.db2.gz PCLMTDTUAUWRGT-UHFFFAOYSA-N 1 0 386.236 4.391 20 0 GIADRO COCCC[NH2+]Cc1c(C)nn(Cc2ccc(Cl)cc2Cl)c1Cl ZINC000061002861 823572173 /nfs/dbraw/zinc/57/21/73/823572173.db2.gz YPRYZOOUZVDENX-UHFFFAOYSA-N 1 0 376.715 4.326 20 0 GIADRO Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C[NH2+]C1CCC(O)CC1 ZINC000061003516 823572327 /nfs/dbraw/zinc/57/23/27/823572327.db2.gz YQYZCTVPPOEGRO-UHFFFAOYSA-N 1 0 387.833 4.246 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc3noc(-c4ccc(F)cc4)c3c2)C1 ZINC000124153641 823572438 /nfs/dbraw/zinc/57/24/38/823572438.db2.gz GHBUTQFLEZWAJS-INIZCTEOSA-N 1 0 395.478 4.438 20 0 GIADRO Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1CNCC(C)(C)C[NH+](C)C ZINC000061012152 823572640 /nfs/dbraw/zinc/57/26/40/823572640.db2.gz NODRVZBFVAYODH-UHFFFAOYSA-N 1 0 383.367 4.224 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)N1CCc2sccc2C1 ZINC000061011520 823572656 /nfs/dbraw/zinc/57/26/56/823572656.db2.gz KPHZYXPFSCMKRU-UHFFFAOYSA-N 1 0 383.561 4.392 20 0 GIADRO CC[NH+](CC)CCN(C(=O)c1cc(C)nc(C)n1)c1cccc(C(F)(F)F)c1 ZINC000461084035 823573138 /nfs/dbraw/zinc/57/31/38/823573138.db2.gz RHMDFDVYKGYLFQ-UHFFFAOYSA-N 1 0 394.441 4.101 20 0 GIADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCOc3ccc(Br)cc32)C[C@H]1C ZINC000461085034 823573506 /nfs/dbraw/zinc/57/35/06/823573506.db2.gz GXJNOQUKYTUQHO-JWDQPFGJSA-N 1 0 396.325 4.230 20 0 GIADRO CC[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(OC)cc2)C1=O)c1cccc(Cl)c1F ZINC000461085203 823573519 /nfs/dbraw/zinc/57/35/19/823573519.db2.gz FNTVAKSCGQTRHA-RTBURBONSA-N 1 0 390.886 4.330 20 0 GIADRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)N1CCC[C@H]1Cc1ccccc1 ZINC000061022362 823573878 /nfs/dbraw/zinc/57/38/78/823573878.db2.gz AEXOZDMVQIDJQJ-NRFANRHFSA-N 1 0 397.588 4.377 20 0 GIADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2csc(-c3ccccc3)n2)CC1 ZINC000124169413 823574151 /nfs/dbraw/zinc/57/41/51/823574151.db2.gz AFSQKNGRUUSUSM-UHFFFAOYSA-N 1 0 381.501 4.140 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+]CCC(=O)NCc2ccccc2Cl)cc1OC ZINC000411443069 823574678 /nfs/dbraw/zinc/57/46/78/823574678.db2.gz BCOUKCCYQALORY-OAHLLOKOSA-N 1 0 390.911 4.104 20 0 GIADRO CCc1ccc(C[NH2+][C@@H](C)c2ccc(OCc3ccncc3)c(OC)c2)nc1 ZINC000411445140 823574824 /nfs/dbraw/zinc/57/48/24/823574824.db2.gz GKPVIKBQECFWJZ-KRWDZBQOSA-N 1 0 377.488 4.477 20 0 GIADRO CC[C@H]([NH2+]CC(=O)Nc1c(C)nn(-c2ccccc2)c1C)c1ccc(OC)cc1 ZINC000124178034 823574888 /nfs/dbraw/zinc/57/48/88/823574888.db2.gz GESGYOVOWJHRML-NRFANRHFSA-N 1 0 392.503 4.177 20 0 GIADRO COc1cc(C[NH2+]Cc2cccc(OCc3ccccc3)c2)cc(OC)c1O ZINC000061044330 823575170 /nfs/dbraw/zinc/57/51/70/823575170.db2.gz ARYSOKSLOYMMJU-UHFFFAOYSA-N 1 0 379.456 4.278 20 0 GIADRO COc1cc(Br)ccc1[C@@H](C)[NH2+]Cc1cccc(C(=O)N(C)C)c1 ZINC000190446499 823575393 /nfs/dbraw/zinc/57/53/93/823575393.db2.gz TZDSYWUCXYHFQR-CYBMUJFWSA-N 1 0 391.309 4.010 20 0 GIADRO COCCOc1cccc(C[NH2+][C@H](C)c2ccc(Br)cc2OC)c1 ZINC000190446086 823575413 /nfs/dbraw/zinc/57/54/13/823575413.db2.gz GWTBFXGSEFBNIV-CQSZACIVSA-N 1 0 394.309 4.334 20 0 GIADRO COc1ccc2c(c1)CCC[C@H]2C[NH2+][C@@H](C)CC(=O)Nc1cccnc1Cl ZINC000124184793 823575454 /nfs/dbraw/zinc/57/54/54/823575454.db2.gz NRDUJUVCLWPPLL-HOCLYGCPSA-N 1 0 387.911 4.170 20 0 GIADRO CSc1ccccc1NC(=O)CC[NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000411449120 823575592 /nfs/dbraw/zinc/57/55/92/823575592.db2.gz LTAXYYIQHBXOJC-HNNXBMFYSA-N 1 0 397.544 4.436 20 0 GIADRO Cc1c([C@@H](C)[NH2+][C@H](C)C(=O)N(C)c2ccccc2)cnn1-c1ccc(F)cc1 ZINC000411451389 823575988 /nfs/dbraw/zinc/57/59/88/823575988.db2.gz HMSXFDQXESUTAQ-HZPDHXFCSA-N 1 0 380.467 4.022 20 0 GIADRO FC(F)(F)Oc1cccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)c1 ZINC000124190871 823576148 /nfs/dbraw/zinc/57/61/48/823576148.db2.gz WRLDASDPXDDYBR-MRXNPFEDSA-N 1 0 394.441 4.283 20 0 GIADRO COc1cc(NC(=O)CC[NH2+][C@@H](C)c2c(F)cccc2F)c(OC)cc1Cl ZINC000411455363 823576592 /nfs/dbraw/zinc/57/65/92/823576592.db2.gz ZZRMCWFYCOJXOP-NSHDSACASA-N 1 0 398.837 4.315 20 0 GIADRO O=C(CC[NH2+][C@@H](CC(F)(F)F)c1ccccc1)NC(=O)Nc1ccccc1 ZINC000411456044 823576610 /nfs/dbraw/zinc/57/66/10/823576610.db2.gz MGHJHJLFLKQTAV-INIZCTEOSA-N 1 0 379.382 4.008 20 0 GIADRO C[C@H]([NH2+][C@@H](CCO)C1CCOCC1)c1ccc(SCC(F)(F)F)cc1 ZINC000461100073 823577132 /nfs/dbraw/zinc/57/71/32/823577132.db2.gz PDVXKLVIFHTGNN-GUYCJALGSA-N 1 0 377.472 4.169 20 0 GIADRO O=C(CC[NH2+][C@H](c1ccccc1)[C@H]1CCOC1)Nc1ccc(Cl)cc1F ZINC000411459675 823577240 /nfs/dbraw/zinc/57/72/40/823577240.db2.gz KTQLLIJRVNJRAZ-MGPUTAFESA-N 1 0 376.859 4.175 20 0 GIADRO N#Cc1ccc(C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)cc1 ZINC000061079255 823577453 /nfs/dbraw/zinc/57/74/53/823577453.db2.gz DOBKYFSMGIALRG-UHFFFAOYSA-N 1 0 379.467 4.155 20 0 GIADRO CN(C)C(=O)C[C@@H]([NH2+]Cc1cc(Cl)cc(Br)c1)c1ccccc1 ZINC000411461649 823577520 /nfs/dbraw/zinc/57/75/20/823577520.db2.gz SULUGLXZUVXPKX-QGZVFWFLSA-N 1 0 395.728 4.412 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2ccc(Br)cc2F)cc1 ZINC000411461980 823577576 /nfs/dbraw/zinc/57/75/76/823577576.db2.gz QKNWMDBUHLMRDM-GFCCVEGCSA-N 1 0 395.272 4.276 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2ccc(OC)c(Cl)c2)cc1F ZINC000411462602 823577583 /nfs/dbraw/zinc/57/75/83/823577583.db2.gz RLJKWUTXNNUJCI-GFCCVEGCSA-N 1 0 380.847 4.176 20 0 GIADRO COc1ccc2oc(C[N@@H+]3CCC[C@H](c4nnc5n4CCCCC5)C3)cc2c1 ZINC000124210273 823577633 /nfs/dbraw/zinc/57/76/33/823577633.db2.gz IZLIECGPRDZWDS-INIZCTEOSA-N 1 0 380.492 4.139 20 0 GIADRO COc1cc(NC(=O)CC[NH2+]C2(c3ccccc3F)CC2)c(OC)cc1Cl ZINC000411468152 823578307 /nfs/dbraw/zinc/57/83/07/823578307.db2.gz GJHZSMVOIHQOPF-UHFFFAOYSA-N 1 0 392.858 4.104 20 0 GIADRO CC[C@H]([NH2+]CC(=O)Nc1ccc(N2CCCC2)cc1C)c1ccc(OC)cc1 ZINC000124217351 823578386 /nfs/dbraw/zinc/57/83/86/823578386.db2.gz XBTHYVLLQFEGMQ-NRFANRHFSA-N 1 0 381.520 4.283 20 0 GIADRO CO[C@@]1(C[NH2+][C@H](c2cccc(SC)c2)c2cc(F)ccc2F)CCOC1 ZINC000461105164 823578412 /nfs/dbraw/zinc/57/84/12/823578412.db2.gz WUZBZFLOESFVKI-WOJBJXKFSA-N 1 0 379.472 4.171 20 0 GIADRO O=C(CC[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1)N[C@@H]1CCCc2ccccc21 ZINC000411470881 823578447 /nfs/dbraw/zinc/57/84/47/823578447.db2.gz DOEDCDMXRKHNKN-CTUHWIOQSA-N 1 0 392.543 4.328 20 0 GIADRO C[C@@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)c1ccc2c(c1)CCC(=O)N2 ZINC000061110698 823578674 /nfs/dbraw/zinc/57/86/74/823578674.db2.gz YHJYGTDXUUUTJT-CYBMUJFWSA-N 1 0 386.879 4.237 20 0 GIADRO C[NH+](C)C1(CNC(=O)NCc2cccc(COCc3ccccc3)c2)CCCC1 ZINC000061114814 823579029 /nfs/dbraw/zinc/57/90/29/823579029.db2.gz KOZSBUXODLEDHI-UHFFFAOYSA-N 1 0 395.547 4.077 20 0 GIADRO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(-n3ccnc3C)cc2)c1C ZINC000411481440 823579985 /nfs/dbraw/zinc/57/99/85/823579985.db2.gz XMEGJOOJSNPYGH-HOCLYGCPSA-N 1 0 392.503 4.250 20 0 GIADRO O=C(CC[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1)NCc1ccccc1Cl ZINC000411481536 823580006 /nfs/dbraw/zinc/58/00/06/823580006.db2.gz XULDFQLHDKUWMI-UTKZUKDTSA-N 1 0 386.923 4.104 20 0 GIADRO O=C(C[C@@H](Cc1ccccc1)c1ccccc1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000461117110 823580503 /nfs/dbraw/zinc/58/05/03/823580503.db2.gz PPUDSCXJJFXIIH-DNQXCXABSA-N 1 0 376.544 4.490 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[NH2+][C@@H](C)c1cccc(F)c1F ZINC000411486493 823580555 /nfs/dbraw/zinc/58/05/55/823580555.db2.gz TZAIFRDUDNCHRG-AWEZNQCLSA-N 1 0 398.457 4.447 20 0 GIADRO Fc1cc(-c2ncco2)ccc1C[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000411489110 823580717 /nfs/dbraw/zinc/58/07/17/823580717.db2.gz MGIPNKUHMRIZPF-NRFANRHFSA-N 1 0 380.419 4.493 20 0 GIADRO C[C@@H](CNC(=O)CSCc1cc(-c2cccs2)on1)[N@@H+]1CCCC[C@@H]1C ZINC000061159909 823581270 /nfs/dbraw/zinc/58/12/70/823581270.db2.gz CAFJJKFWOIDBJO-GJZGRUSLSA-N 1 0 393.578 4.015 20 0 GIADRO CC(C)[NH+]1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(F)c3)cc2)CC1 ZINC000061162375 823581556 /nfs/dbraw/zinc/58/15/56/823581556.db2.gz PIBRVYYDRNGTMV-UHFFFAOYSA-N 1 0 375.875 4.262 20 0 GIADRO COc1ccc([C@H](NC(=O)NCC(C)(C)[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000061185374 823582562 /nfs/dbraw/zinc/58/25/62/823582562.db2.gz ZMXLMKGOIYFIJR-JOCHJYFZSA-N 1 0 395.547 4.348 20 0 GIADRO C[C@@H](NC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C)c1ccc(Br)cc1 ZINC000061185252 823582578 /nfs/dbraw/zinc/58/25/78/823582578.db2.gz GGKQLBDTBOXVDS-RRFJBIMHSA-N 1 0 382.346 4.072 20 0 GIADRO COc1cc(C)nc(CN[C@@H](c2ccc(F)c(F)c2)C(C)(C)[NH+]2CCCC2)c1 ZINC000411513121 823583067 /nfs/dbraw/zinc/58/30/67/823583067.db2.gz UCAWARDGZLRTEJ-NRFANRHFSA-N 1 0 389.490 4.382 20 0 GIADRO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C[N@@H+](C)[C@H](C)C[S@](C)=O ZINC000411513144 823583069 /nfs/dbraw/zinc/58/30/69/823583069.db2.gz OEOYLBSNWDLVRF-NDHGSNPTSA-N 1 0 390.496 4.336 20 0 GIADRO COC[C@H]([NH2+]CCC(=O)NC(c1ccccc1)c1ccccc1)c1ccc(C)o1 ZINC000411517126 823583424 /nfs/dbraw/zinc/58/34/24/823583424.db2.gz ZTIAKXCTKZHMDX-NRFANRHFSA-N 1 0 392.499 4.161 20 0 GIADRO CC[C@@H]([NH2+]CCc1nc2ccccc2c(=O)[nH]1)c1nc(C(F)(F)F)cs1 ZINC000411516372 823583495 /nfs/dbraw/zinc/58/34/95/823583495.db2.gz JRYUCRYIMXUFSA-LLVKDONJSA-N 1 0 382.411 4.094 20 0 GIADRO COC(=O)c1ccc(C[NH2+][C@H](C)c2sc(-c3ccc(F)cc3)nc2C)nc1 ZINC000411520553 823584164 /nfs/dbraw/zinc/58/41/64/823584164.db2.gz QKXQQCAMEOUHNA-GFCCVEGCSA-N 1 0 385.464 4.290 20 0 GIADRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CC(=O)N(C)Cc3ccco3)s2)cc1 ZINC000411523919 823584492 /nfs/dbraw/zinc/58/44/92/823584492.db2.gz AOCZJORBGHIWRJ-CQSZACIVSA-N 1 0 399.516 4.029 20 0 GIADRO CCOc1cccc2cc([C@H](C)[NH2+]CCc3nc4ccccc4c(=O)[nH]3)oc21 ZINC000411524915 823584761 /nfs/dbraw/zinc/58/47/61/823584761.db2.gz BLHLJAXOIQVBDD-AWEZNQCLSA-N 1 0 377.444 4.374 20 0 GIADRO CC[C@@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(Br)cc1 ZINC000124297795 823585108 /nfs/dbraw/zinc/58/51/08/823585108.db2.gz QMOSVLQDSWXANI-SWLSCSKDSA-N 1 0 379.264 4.374 20 0 GIADRO CCOC(=O)Nc1ccc(NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000061227087 823585267 /nfs/dbraw/zinc/58/52/67/823585267.db2.gz HNLKEZPTZBNQKR-UHFFFAOYSA-N 1 0 396.491 4.173 20 0 GIADRO COc1ccc2c(c1)CCC[C@H]2C[NH2+][C@H](C)CCCOc1ccccc1C(N)=O ZINC000124302399 823585418 /nfs/dbraw/zinc/58/54/18/823585418.db2.gz XDOGJROOGLSMSA-MJGOQNOKSA-N 1 0 396.531 4.051 20 0 GIADRO CSCC[C@H]([NH2+]CCCOc1cc(C)cc(C)c1)c1nnc2ccccn21 ZINC000411537306 823585939 /nfs/dbraw/zinc/58/59/39/823585939.db2.gz RWABMDINCTXGLM-IBGZPJMESA-N 1 0 384.549 4.199 20 0 GIADRO C[C@@H]([NH2+]CCC(=O)N1CCc2ccccc21)c1nc(-c2ccccc2)cs1 ZINC000411535665 823586124 /nfs/dbraw/zinc/58/61/24/823586124.db2.gz RSTWNHMJBLTGGC-MRXNPFEDSA-N 1 0 377.513 4.440 20 0 GIADRO C[NH+](C)Cc1ccccc1CNC(=O)c1csc(-c2cccc(Cl)c2)n1 ZINC000061232744 823586137 /nfs/dbraw/zinc/58/61/37/823586137.db2.gz PMCOMLIKVHPGFN-UHFFFAOYSA-N 1 0 385.920 4.455 20 0 GIADRO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000411542753 823586856 /nfs/dbraw/zinc/58/68/56/823586856.db2.gz JFTIKVLASODNQH-HRAATJIYSA-N 1 0 382.552 4.181 20 0 GIADRO S=C(NCCSc1ccccc1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000061246904 823587159 /nfs/dbraw/zinc/58/71/59/823587159.db2.gz VURLUVCKISVIQM-HXUWFJFHSA-N 1 0 385.602 4.080 20 0 GIADRO O=c1nc(C[NH2+][C@@H]2CCCC[C@H]2n2cccn2)[nH]c2scc(-c3ccco3)c21 ZINC000411553241 823587804 /nfs/dbraw/zinc/58/78/04/823587804.db2.gz CLJJHHJYCYVUFH-HUUCEWRRSA-N 1 0 395.488 4.127 20 0 GIADRO O=c1nc(C[NH2+][C@@H]2CCCC[C@@H]2n2cccn2)[nH]c2scc(-c3ccco3)c21 ZINC000411553232 823587860 /nfs/dbraw/zinc/58/78/60/823587860.db2.gz CLJJHHJYCYVUFH-CABCVRRESA-N 1 0 395.488 4.127 20 0 GIADRO COc1ccc([C@H](O)C[NH2+][C@@H](c2ccc(Br)s2)C2CC2)cc1 ZINC000190578131 823587879 /nfs/dbraw/zinc/58/78/79/823587879.db2.gz LVHFWSYMXPUCRF-RHSMWYFYSA-N 1 0 382.323 4.294 20 0 GIADRO COc1ccccc1CCNC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000061260405 823588188 /nfs/dbraw/zinc/58/81/88/823588188.db2.gz FXHVVYRCXUKANN-LJQANCHMSA-N 1 0 395.547 4.112 20 0 GIADRO CCCN(CC[NH+](CC)CC)C(=O)c1cnc(-c2ccc(F)c(F)c2)s1 ZINC000461151181 823588207 /nfs/dbraw/zinc/58/82/07/823588207.db2.gz KEMVKXGXLSXDOY-UHFFFAOYSA-N 1 0 381.492 4.282 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(OCCOC)cc2Cl)cc1 ZINC000190582426 823588250 /nfs/dbraw/zinc/58/82/50/823588250.db2.gz ZEJDJCVITABUSB-UHFFFAOYSA-N 1 0 390.911 4.459 20 0 GIADRO C[C@H](C(=O)Nc1ccccc1Sc1ccccc1)[N@H+](C)CCCn1ccnc1 ZINC000124342149 823588760 /nfs/dbraw/zinc/58/87/60/823588760.db2.gz ZOZZIRWWYJAKOB-GOSISDBHSA-N 1 0 394.544 4.383 20 0 GIADRO CN(Cc1nc2ccc(Cl)cc2c(=O)[nH]1)C(C)(C)C[NH+]1CCCCCC1 ZINC000411577429 823588990 /nfs/dbraw/zinc/58/89/90/823588990.db2.gz ZCBJSGXXYOBHAM-UHFFFAOYSA-N 1 0 376.932 4.075 20 0 GIADRO CNC(=O)c1cccc(C[NH2+][C@@H](c2ccc(Br)s2)C2CC2)c1 ZINC000190593411 823589359 /nfs/dbraw/zinc/58/93/59/823589359.db2.gz NMUBSUXFIZDZCZ-MRXNPFEDSA-N 1 0 379.323 4.111 20 0 GIADRO COC(=O)c1ccc(NC(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)cc1 ZINC000061286083 823589585 /nfs/dbraw/zinc/58/95/85/823589585.db2.gz WOMJDLIIZHKQMM-QGZVFWFLSA-N 1 0 395.503 4.169 20 0 GIADRO CCCN(CC[NH+](CC)CC)C(=O)c1csc(-c2ccc(F)c(F)c2)n1 ZINC000461157861 823589599 /nfs/dbraw/zinc/58/95/99/823589599.db2.gz KZGIETMGTSZLDN-UHFFFAOYSA-N 1 0 381.492 4.282 20 0 GIADRO Cc1ccc(C)c(OCCC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)c1 ZINC000061286684 823589797 /nfs/dbraw/zinc/58/97/97/823589797.db2.gz STFHXMIBAXTZPE-UHFFFAOYSA-N 1 0 384.545 4.260 20 0 GIADRO Cc1ccc(SCC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)cc1 ZINC000061289164 823590012 /nfs/dbraw/zinc/59/00/12/823590012.db2.gz RWHWJRLOYDPPRC-UHFFFAOYSA-N 1 0 386.586 4.317 20 0 GIADRO COc1cc(NC(=O)CC[NH2+][C@H](CC(F)(F)F)C(C)C)c(OC)cc1Cl ZINC000411605480 823590293 /nfs/dbraw/zinc/59/02/93/823590293.db2.gz IDRQDIKUVYXICI-CYBMUJFWSA-N 1 0 396.837 4.252 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCCc1ccccc1F ZINC000061311700 823591156 /nfs/dbraw/zinc/59/11/56/823591156.db2.gz MVZSJMGPMCWIPB-GOSISDBHSA-N 1 0 383.511 4.242 20 0 GIADRO Brc1ccc([C@H]([NH2+]CCCOCC2CCOCC2)C2CC2)s1 ZINC000190609492 823591256 /nfs/dbraw/zinc/59/12/56/823591256.db2.gz RWOBBJWDVACFKW-QGZVFWFLSA-N 1 0 388.371 4.385 20 0 GIADRO CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1CCC(=O)Nc1ccccc1Br ZINC000411621879 823591640 /nfs/dbraw/zinc/59/16/40/823591640.db2.gz SCYXAMJMWBPLGY-ZDUSSCGKSA-N 1 0 393.247 4.441 20 0 GIADRO CSc1ccccc1NC(=O)CC[NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000411637122 823592815 /nfs/dbraw/zinc/59/28/15/823592815.db2.gz CJYCNMOMKASOML-YLJYHZDGSA-N 1 0 392.471 4.135 20 0 GIADRO Cn1c(CCC[NH2+]Cc2ccccc2OCc2ccccn2)nc2ccccc21 ZINC000124392123 823592800 /nfs/dbraw/zinc/59/28/00/823592800.db2.gz PJAGUJJLDHOSJO-UHFFFAOYSA-N 1 0 386.499 4.270 20 0 GIADRO C[C@H]([NH2+]C1CCN(Cc2ccccc2Cl)CC1)[C@@H](O)c1ccc(F)cc1 ZINC000124395168 823592959 /nfs/dbraw/zinc/59/29/59/823592959.db2.gz KDVVKBUWECOIKP-YCRPNKLZSA-N 1 0 376.903 4.155 20 0 GIADRO O=C(CC[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1)Nc1ccccc1Cl ZINC000411645262 823593345 /nfs/dbraw/zinc/59/33/45/823593345.db2.gz KRSDLYDKRBZAEE-HKUYNNGSSA-N 1 0 379.287 4.442 20 0 GIADRO CC(C)(CO)[C@H]([NH2+]CCc1nc(-c2ccc(Cl)cc2)no1)c1ccccc1 ZINC000411644570 823593408 /nfs/dbraw/zinc/59/34/08/823593408.db2.gz RFHSKPBMDXPYRD-LJQANCHMSA-N 1 0 385.895 4.282 20 0 GIADRO O=C(CC[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1)Nc1ccccc1Cl ZINC000411645270 823593516 /nfs/dbraw/zinc/59/35/16/823593516.db2.gz KRSDLYDKRBZAEE-PKOBYXMFSA-N 1 0 379.287 4.442 20 0 GIADRO CCOc1ccccc1NC(=O)CC[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000411648363 823593826 /nfs/dbraw/zinc/59/38/26/823593826.db2.gz OGWNTUFLVHZBAA-GHTZIAJQSA-N 1 0 388.895 4.187 20 0 GIADRO Cc1c(F)cccc1NC(=O)CC[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000411648971 823593921 /nfs/dbraw/zinc/59/39/21/823593921.db2.gz PNUZJRZNPPHFHO-QUCCMNQESA-N 1 0 394.849 4.375 20 0 GIADRO CSC1(C[NH2+][C@@H](c2ccc(Br)s2)C2CC2)CCOCC1 ZINC000190638340 823594130 /nfs/dbraw/zinc/59/41/30/823594130.db2.gz GPOFQIKXJXNISE-CQSZACIVSA-N 1 0 376.385 4.464 20 0 GIADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(-c2nccs2)cc1 ZINC000124414956 823594809 /nfs/dbraw/zinc/59/48/09/823594809.db2.gz DQUFCQLHHVEPEJ-LJQANCHMSA-N 1 0 380.517 4.105 20 0 GIADRO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)c2occc2-c2ccc(F)cc2)C1 ZINC000190657344 823595964 /nfs/dbraw/zinc/59/59/64/823595964.db2.gz LKBBKVUZOZEFFL-GOSISDBHSA-N 1 0 393.462 4.075 20 0 GIADRO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)c2occc2-c2ccc(F)cc2)C1 ZINC000190657322 823596022 /nfs/dbraw/zinc/59/60/22/823596022.db2.gz LKBBKVUZOZEFFL-SFHVURJKSA-N 1 0 393.462 4.075 20 0 GIADRO O=C(CC[NH2+][C@H]1CCc2ccccc2OC1)Nc1c(Cl)cccc1Cl ZINC000411690387 823597379 /nfs/dbraw/zinc/59/73/79/823597379.db2.gz LSKOTIIJEUDXBW-AWEZNQCLSA-N 1 0 379.287 4.305 20 0 GIADRO CCCN(CC[NH+](CC)CC)C(=O)c1cc(NC(=O)C(C)(C)C)ccc1F ZINC000461203278 823597799 /nfs/dbraw/zinc/59/77/99/823597799.db2.gz MRZBULXLMZHTHX-UHFFFAOYSA-N 1 0 379.520 4.004 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000061441847 823597874 /nfs/dbraw/zinc/59/78/74/823597874.db2.gz AWERZNBJLPKYEX-LJQANCHMSA-N 1 0 394.563 4.126 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccccc1-n1cccn1)c1ccsc1 ZINC000061449284 823598277 /nfs/dbraw/zinc/59/82/77/823598277.db2.gz ZEGQSYUYMNHSQZ-IBGZPJMESA-N 1 0 383.521 4.138 20 0 GIADRO Cc1c(F)cccc1NC(=O)CC[NH2+][C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000411716425 823599303 /nfs/dbraw/zinc/59/93/03/823599303.db2.gz FYFFEFBRWWBZDS-SFHVURJKSA-N 1 0 399.293 4.483 20 0 GIADRO Cn1cc(-c2cc(C[NH2+]C(C)(C)Cc3ccc(C(F)(F)F)cc3)on2)cn1 ZINC000190697265 823599292 /nfs/dbraw/zinc/59/92/92/823599292.db2.gz JOPPZQCUQHNFAD-UHFFFAOYSA-N 1 0 378.398 4.205 20 0 GIADRO CC[C@@H](NC(=O)N1CC[C@H](C[N@H+](C)Cc2scnc2C)C1)c1cccs1 ZINC000190699398 823599384 /nfs/dbraw/zinc/59/93/84/823599384.db2.gz FBKXARVFANKFGH-HZPDHXFCSA-N 1 0 392.594 4.128 20 0 GIADRO COc1cc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc(Cl)c1OCCC(C)C ZINC000124472285 823599562 /nfs/dbraw/zinc/59/95/62/823599562.db2.gz GUIKRWOSBUTNGI-RDJZCZTQSA-N 1 0 396.959 4.328 20 0 GIADRO O=C(CCOc1cccc(F)c1)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000061503645 823600254 /nfs/dbraw/zinc/60/02/54/823600254.db2.gz HKWIAZUPGPWEEF-UHFFFAOYSA-N 1 0 384.495 4.287 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)CSc2ccc(Br)cc2C)CC1 ZINC000461218556 823600459 /nfs/dbraw/zinc/60/04/59/823600459.db2.gz NWNFLAFZSFOOJI-UHFFFAOYSA-N 1 0 399.398 4.088 20 0 GIADRO O=C(CC[N@@H+]1CCC[C@@H](c2ccncc2)C1)Nc1ccc(Br)cc1 ZINC000411726834 823600546 /nfs/dbraw/zinc/60/05/46/823600546.db2.gz IFSCUFPKYSYLPS-MRXNPFEDSA-N 1 0 388.309 4.052 20 0 GIADRO O=C(CC[N@H+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1)Nc1ccc(Cl)cc1 ZINC000411728456 823600620 /nfs/dbraw/zinc/60/06/20/823600620.db2.gz KTLUOWFJGKDLGH-MAUKXSAKSA-N 1 0 390.936 4.169 20 0 GIADRO O[C@H](C[NH2+]Cc1ccc(Br)c(Br)c1)c1ccccc1 ZINC000124490909 823601043 /nfs/dbraw/zinc/60/10/43/823601043.db2.gz RQAKNFKJESJJGN-OAHLLOKOSA-N 1 0 385.099 4.035 20 0 GIADRO OCC[C@@H]([NH2+]CCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(Cl)cc1 ZINC000411739318 823601141 /nfs/dbraw/zinc/60/11/41/823601141.db2.gz NHFYQSMVEPIXQZ-QGZVFWFLSA-N 1 0 392.286 4.299 20 0 GIADRO Cc1cc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c(Cl)cc1F ZINC000124500089 823601886 /nfs/dbraw/zinc/60/18/86/823601886.db2.gz AKWMPLOVSQKFLI-AWEZNQCLSA-N 1 0 380.916 4.491 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)COc2ccc(Oc3ccccc3)cc2)CC1 ZINC000461232065 823601939 /nfs/dbraw/zinc/60/19/39/823601939.db2.gz DQUUOEJKTXEOGT-UHFFFAOYSA-N 1 0 382.504 4.096 20 0 GIADRO C[NH+](C)Cc1ccc(C(=O)Nc2ccc(-n3ccc(C(F)(F)F)n3)cc2)cc1 ZINC000461232935 823601945 /nfs/dbraw/zinc/60/19/45/823601945.db2.gz FCUQZIDORYXAJM-UHFFFAOYSA-N 1 0 388.393 4.205 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@H](CCO)c1ccc(Cl)cc1 ZINC000411745051 823601924 /nfs/dbraw/zinc/60/19/24/823601924.db2.gz UWQILPOKKAHHPH-MRXNPFEDSA-N 1 0 397.302 4.044 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@@H](C)[C@H]1OCCc2sccc21 ZINC000411753133 823602477 /nfs/dbraw/zinc/60/24/77/823602477.db2.gz BYJYYVIFKUQBMZ-HXPMCKFVSA-N 1 0 394.924 4.031 20 0 GIADRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@H]1C[C@]1(F)c1ccccc1 ZINC000411758275 823602974 /nfs/dbraw/zinc/60/29/74/823602974.db2.gz NARXCLQIGHXXLA-KNQAVFIVSA-N 1 0 384.520 4.367 20 0 GIADRO Cc1nc2cc(F)ccc2cc1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000061568391 823604472 /nfs/dbraw/zinc/60/44/72/823604472.db2.gz FFFWSMJYZLMRRC-UHFFFAOYSA-N 1 0 397.519 4.386 20 0 GIADRO Cc1cccc(OCCC(=O)NCC2CC[NH+](Cc3cccs3)CC2)c1C ZINC000061568064 823604475 /nfs/dbraw/zinc/60/44/75/823604475.db2.gz YRXIUZFGODDGRD-UHFFFAOYSA-N 1 0 386.561 4.162 20 0 GIADRO Clc1cccc([C@H](NC2CC[NH+](Cc3ccncc3)CC2)c2ccccn2)c1 ZINC000124546731 823605296 /nfs/dbraw/zinc/60/52/96/823605296.db2.gz NRXWFWCPEKRIQF-QHCPKHFHSA-N 1 0 392.934 4.474 20 0 GIADRO COc1cccc(F)c1[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000461255050 823605739 /nfs/dbraw/zinc/60/57/39/823605739.db2.gz YTSYPQZOUFPYKE-DOTOQJQBSA-N 1 0 388.458 4.063 20 0 GIADRO CC(C)[C@@H](CO)[C@@H]([NH2+]Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(C)C ZINC000411799013 823605941 /nfs/dbraw/zinc/60/59/41/823605941.db2.gz YAGORHMFXIWBKB-UZLBHIALSA-N 1 0 399.560 4.443 20 0 GIADRO O=C(CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)Nc1ccccc1Oc1ccccc1 ZINC000411801850 823606038 /nfs/dbraw/zinc/60/60/38/823606038.db2.gz NKOCVBFLOWUNQM-YSZBQJHXSA-N 1 0 392.499 4.355 20 0 GIADRO CN(C(=O)c1cccc2ccccc21)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000124560524 823606543 /nfs/dbraw/zinc/60/65/43/823606543.db2.gz QLOOEULJVZGRQI-ZEQRLZLVSA-N 1 0 393.575 4.249 20 0 GIADRO C[NH+]1CCN(Cc2ccc(C(=O)N3CCC[C@@H]3CC3CCCCC3)cc2)CC1 ZINC000061636987 823607176 /nfs/dbraw/zinc/60/71/76/823607176.db2.gz CHMIUIZDXQEXGW-HSZRJFAPSA-N 1 0 383.580 4.009 20 0 GIADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)CCCc1ccc(Br)s1 ZINC000461263777 823608356 /nfs/dbraw/zinc/60/83/56/823608356.db2.gz MWTUUOXXJOHSHU-AWEZNQCLSA-N 1 0 387.387 4.166 20 0 GIADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000461264279 823608526 /nfs/dbraw/zinc/60/85/26/823608526.db2.gz ODYGWMOFROPFRW-ZDUSSCGKSA-N 1 0 396.304 4.016 20 0 GIADRO CC1(C)Oc2ccc(NC(=O)NC[C@H](c3ccccc3)[NH+]3CCCC3)cc2O1 ZINC000061722989 823608795 /nfs/dbraw/zinc/60/87/95/823608795.db2.gz CKLKZKDBJCFVRR-GOSISDBHSA-N 1 0 381.476 4.153 20 0 GIADRO O=C(Nc1ccc(F)cc1OC(F)F)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000461265812 823608863 /nfs/dbraw/zinc/60/88/63/823608863.db2.gz TTWRYZDIWQWXCH-AWEZNQCLSA-N 1 0 396.384 4.417 20 0 GIADRO COCc1cccc(OCC2(C[NH+]3CCC(c4ccncn4)CC3)CCC2)c1 ZINC000411824194 823609004 /nfs/dbraw/zinc/60/90/04/823609004.db2.gz FXXLYHQBELHSOQ-UHFFFAOYSA-N 1 0 381.520 4.052 20 0 GIADRO CCc1ccc(-c2nc(CC(=O)N(C)CC[C@H]3CCCC[N@@H+]3C)cs2)cc1 ZINC000461269003 823609393 /nfs/dbraw/zinc/60/93/93/823609393.db2.gz YAOSNRXGSFATKG-HXUWFJFHSA-N 1 0 385.577 4.248 20 0 GIADRO COCCCC[N@@H+]1CCC[C@@H]1c1nc(-c2ccccc2Br)no1 ZINC000190796233 823609959 /nfs/dbraw/zinc/60/99/59/823609959.db2.gz WOOZTWLSJXETDU-OAHLLOKOSA-N 1 0 380.286 4.063 20 0 GIADRO O=C(NCc1ccc(Oc2ccccc2)cc1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000411833417 823610192 /nfs/dbraw/zinc/61/01/92/823610192.db2.gz ITRBXGWMRGZRGC-HXUWFJFHSA-N 1 0 396.556 4.313 20 0 GIADRO COc1ccc(CCNC(=[NH2+])NCc2cccc(OCc3ccccc3)c2)cc1 ZINC000061735283 823610258 /nfs/dbraw/zinc/61/02/58/823610258.db2.gz FNLRUNNLVNBHLT-UHFFFAOYSA-N 1 0 389.499 4.131 20 0 GIADRO Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000461274551 823610611 /nfs/dbraw/zinc/61/06/11/823610611.db2.gz YKPISVLCPIINTD-SFHVURJKSA-N 1 0 389.540 4.128 20 0 GIADRO O=C(C[N@@H+]1CCSC2(CCC2)CC1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000411872347 823611705 /nfs/dbraw/zinc/61/17/05/823611705.db2.gz VHKKWYZMXRFILZ-UHFFFAOYSA-N 1 0 395.572 4.145 20 0 GIADRO Fc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H]2CCc3n[nH]cc3C2)cc1 ZINC000124621413 823611809 /nfs/dbraw/zinc/61/18/09/823611809.db2.gz OSIXBTIDZMWNMB-HXUWFJFHSA-N 1 0 387.462 4.049 20 0 GIADRO Cc1cc(C(F)(F)F)ccc1C[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000190810672 823611974 /nfs/dbraw/zinc/61/19/74/823611974.db2.gz APTRAZOYULFCIF-UHFFFAOYSA-N 1 0 378.438 4.136 20 0 GIADRO Cc1csc(-c2cccc(NC(=O)C3CC[NH+]([C@H]4CCSC4)CC3)c2)n1 ZINC000411882330 823612512 /nfs/dbraw/zinc/61/25/12/823612512.db2.gz MAPJKLTYIYJDFW-SFHVURJKSA-N 1 0 387.574 4.275 20 0 GIADRO CO[C@H]1c2ccccc2C[C@H]1[NH2+]CCCc1nc(-c2ccc(C)c(F)c2)no1 ZINC000411886137 823612843 /nfs/dbraw/zinc/61/28/43/823612843.db2.gz AVIVRNHXUIMIOA-CTNGQTDRSA-N 1 0 381.451 4.019 20 0 GIADRO CCOC(=O)c1sc2[nH]c([C@@H](C)[NH2+][C@H](CC)c3ccccc3)nc(=O)c2c1C ZINC000411892804 823613467 /nfs/dbraw/zinc/61/34/67/823613467.db2.gz NTHZLIKPKILFLW-UKRRQHHQSA-N 1 0 399.516 4.272 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)c2nnc(CC(C)(C)C)n2Cc2cccs2)[C@@H](C)C1 ZINC000461299554 823613730 /nfs/dbraw/zinc/61/37/30/823613730.db2.gz ZLFHQQPTUFGJAJ-FUHWJXTLSA-N 1 0 389.613 4.143 20 0 GIADRO COc1ccc(Cl)c(NC(=O)NCC2CC[NH+](Cc3cccs3)CC2)c1 ZINC000061785849 823613912 /nfs/dbraw/zinc/61/39/12/823613912.db2.gz ZVGDYBSPBPKOEK-UHFFFAOYSA-N 1 0 393.940 4.444 20 0 GIADRO CC(C)CN(CC(C)C)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000061791850 823614695 /nfs/dbraw/zinc/61/46/95/823614695.db2.gz LGDZZZHJHFEIDY-UHFFFAOYSA-N 1 0 377.598 4.424 20 0 GIADRO CO[C@@](C)([C@H](C)[NH2+]Cc1coc(-c2ccc(Br)cc2)n1)C1CC1 ZINC000411939192 823615250 /nfs/dbraw/zinc/61/52/50/823615250.db2.gz FCMVBVGTNHMMQA-SGTLLEGYSA-N 1 0 379.298 4.397 20 0 GIADRO Cc1cc(C(F)(F)F)ccc1C[NH2+][C@H](CN1CCCC1=O)c1ccccc1 ZINC000190841518 823615347 /nfs/dbraw/zinc/61/53/47/823615347.db2.gz MTQSBTREXYNPGU-LJQANCHMSA-N 1 0 376.422 4.467 20 0 GIADRO CCc1cccc(CC)c1NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000190844227 823615441 /nfs/dbraw/zinc/61/54/41/823615441.db2.gz YMEOBBMGDLMHRJ-JOCHJYFZSA-N 1 0 395.547 4.224 20 0 GIADRO C[NH+](C)CCn1c(=O)oc2ccc(NCc3cc(-c4ccccc4)cs3)cc21 ZINC000124665843 823615575 /nfs/dbraw/zinc/61/55/75/823615575.db2.gz ONXTXINHJKYTDL-UHFFFAOYSA-N 1 0 393.512 4.497 20 0 GIADRO C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000411944763 823615593 /nfs/dbraw/zinc/61/55/93/823615593.db2.gz KDDQAJPNPKEOMO-XXBNENTESA-N 1 0 378.516 4.275 20 0 GIADRO C[C@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000411944760 823615680 /nfs/dbraw/zinc/61/56/80/823615680.db2.gz KDDQAJPNPKEOMO-WMZHIEFXSA-N 1 0 378.516 4.275 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)NCCSCc2ccccc2F)c1 ZINC000061855106 823616181 /nfs/dbraw/zinc/61/61/81/823616181.db2.gz DTQKXOAOEDYGHU-UHFFFAOYSA-N 1 0 389.540 4.010 20 0 GIADRO CC(C)[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)C[C@@H](O)CC1CCCC1 ZINC000190851314 823616313 /nfs/dbraw/zinc/61/63/13/823616313.db2.gz FQZVRJDGIFTIRW-INIZCTEOSA-N 1 0 386.458 4.296 20 0 GIADRO Cc1cc(C(F)(F)F)ccc1C[NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000190850569 823616320 /nfs/dbraw/zinc/61/63/20/823616320.db2.gz HAPHUTQPIBETDE-IBGZPJMESA-N 1 0 392.421 4.421 20 0 GIADRO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C[N@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000411959677 823616785 /nfs/dbraw/zinc/61/67/85/823616785.db2.gz VPGXKJHSKJQZHV-CQSZACIVSA-N 1 0 397.466 4.047 20 0 GIADRO CC[C@@H](NC(=O)NCc1ccccc1C[N@H+](C)C(C)C)c1ccccc1OC ZINC000061869005 823616975 /nfs/dbraw/zinc/61/69/75/823616975.db2.gz GKZWUANUJFGPGD-OAQYLSRUSA-N 1 0 383.536 4.486 20 0 GIADRO Cc1cccc(C)c1OCCNC(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000061868932 823617046 /nfs/dbraw/zinc/61/70/46/823617046.db2.gz TUTZFELAOJMANY-UHFFFAOYSA-N 1 0 383.536 4.022 20 0 GIADRO COc1cccc(CC(=O)NCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000061885490 823617520 /nfs/dbraw/zinc/61/75/20/823617520.db2.gz LFXHYTXJAGCJLL-OALUTQOASA-N 1 0 380.532 4.032 20 0 GIADRO CC[C@H](C(=O)N[C@@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1)c1ccc(F)cc1 ZINC000461329300 823618454 /nfs/dbraw/zinc/61/84/54/823618454.db2.gz CCMVIKDOFPOXMZ-ZRBLBEILSA-N 1 0 396.506 4.422 20 0 GIADRO COc1cccc(C[NH2+]Cc2ccc(-n3nc(C)cc3C)cc2C(F)(F)F)n1 ZINC000190873771 823618537 /nfs/dbraw/zinc/61/85/37/823618537.db2.gz KAMBRRGNNUFCDE-UHFFFAOYSA-N 1 0 390.409 4.201 20 0 GIADRO C[C@H](CNC(=O)NCc1cccc(COCc2ccco2)c1)[N@@H+]1CCCC[C@@H]1C ZINC000061930755 823619035 /nfs/dbraw/zinc/61/90/35/823619035.db2.gz AGBSSOQFCNCWDY-RBUKOAKNSA-N 1 0 399.535 4.059 20 0 GIADRO O=C1[C@H]([N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)CCCN1c1ccccc1 ZINC000411994856 823619165 /nfs/dbraw/zinc/61/91/65/823619165.db2.gz BHNCTBUPSLJBPG-FGZHOGPDSA-N 1 0 376.500 4.036 20 0 GIADRO CCN(CC)c1ncc(C[NH2+]C2(c3ccc(F)cc3F)CCOCC2)s1 ZINC000124712581 823619933 /nfs/dbraw/zinc/61/99/33/823619933.db2.gz MJKGSEWAOXIPEI-UHFFFAOYSA-N 1 0 381.492 4.063 20 0 GIADRO C[C@@H](NC(=O)NCCC[N@H+](C)C1CCCCC1)c1cccc(OC(F)F)c1 ZINC000061958994 823619962 /nfs/dbraw/zinc/61/99/62/823619962.db2.gz MWYPXYJTYPJPRQ-OAHLLOKOSA-N 1 0 383.483 4.303 20 0 GIADRO CCOc1ccc(-c2nc(C[NH2+]C3(CO)C4CC5CC(C4)CC3C5)co2)cc1 ZINC000412003031 823620819 /nfs/dbraw/zinc/62/08/19/823620819.db2.gz OERULHBICQREGJ-UHFFFAOYSA-N 1 0 382.504 4.017 20 0 GIADRO Cc1cc(C[NH2+][C@H](c2ccccc2)C2(CO)CCOCC2)c2ccccc2n1 ZINC000412005129 823621300 /nfs/dbraw/zinc/62/13/00/823621300.db2.gz AUXVUYDJRLIONL-HSZRJFAPSA-N 1 0 376.500 4.163 20 0 GIADRO Cc1cc(F)c(Br)cc1NC(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000190896583 823621428 /nfs/dbraw/zinc/62/14/28/823621428.db2.gz XLXABDHMJMJDFK-UHFFFAOYSA-N 1 0 398.276 4.085 20 0 GIADRO C[C@@H](CC[NH2+][C@@H](c1ccccc1)C1(CO)CCOCC1)OCc1ccccc1 ZINC000412006266 823621593 /nfs/dbraw/zinc/62/15/93/823621593.db2.gz CTQAQQMQBDUITR-REWPJTCUSA-N 1 0 383.532 4.102 20 0 GIADRO Cc1[nH]c2ccccc2c1C1CC[NH+](Cc2cnc(N3CCOCC3)s2)CC1 ZINC000124731003 823621652 /nfs/dbraw/zinc/62/16/52/823621652.db2.gz ROULAJZNOKSUMN-UHFFFAOYSA-N 1 0 396.560 4.149 20 0 GIADRO CC[NH+](CC)CCN(CC(C)C)C(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000124735340 823622044 /nfs/dbraw/zinc/62/20/44/823622044.db2.gz VXGIRALTBKLVIH-UHFFFAOYSA-N 1 0 385.556 4.321 20 0 GIADRO CCCCc1ccc(NC(=O)C(=O)NCc2ccccc2C[N@H+](C)C(C)C)cc1 ZINC000062047764 823622556 /nfs/dbraw/zinc/62/25/56/823622556.db2.gz BYFDFEQMMMZYJH-UHFFFAOYSA-N 1 0 395.547 4.124 20 0 GIADRO Clc1ccc(C[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)c(-n2cncn2)c1 ZINC000412015398 823622806 /nfs/dbraw/zinc/62/28/06/823622806.db2.gz SPQNXGNGLZVIAU-NRFANRHFSA-N 1 0 394.906 4.274 20 0 GIADRO FC(F)c1ccc(C[NH+]2CCN(c3ccnc(-c4ccccc4)n3)CC2)cc1 ZINC000461360953 823622874 /nfs/dbraw/zinc/62/28/74/823622874.db2.gz COWJFTHUGZNTQX-UHFFFAOYSA-N 1 0 380.442 4.403 20 0 GIADRO Fc1ccc(C2([NH2+]Cc3cnc(-c4ccccn4)s3)CCOCC2)c(F)c1 ZINC000124751208 823623154 /nfs/dbraw/zinc/62/31/54/823623154.db2.gz IOBKSVJUMMETJX-UHFFFAOYSA-N 1 0 387.455 4.279 20 0 GIADRO O=C1CCCN1[C@H]1CCC[N@@H+]([C@H]2CCCc3ccc(Br)cc32)CC1 ZINC000412057011 823624534 /nfs/dbraw/zinc/62/45/34/823624534.db2.gz PYJJLBWTOZRPRZ-HKUYNNGSSA-N 1 0 391.353 4.303 20 0 GIADRO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000412059392 823624748 /nfs/dbraw/zinc/62/47/48/823624748.db2.gz XCMSAPRVIOSIEL-JOCHJYFZSA-N 1 0 378.516 4.243 20 0 GIADRO O=C1CCCN1[C@@H]1CCC[N@@H+](CC/C=C\c2ccc(Br)cc2)CC1 ZINC000412059578 823624967 /nfs/dbraw/zinc/62/49/67/823624967.db2.gz XQDBFDVGHYZIIU-VFWJCRKCSA-N 1 0 391.353 4.329 20 0 GIADRO Cc1cccc(OCCC(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1C ZINC000062230413 823625134 /nfs/dbraw/zinc/62/51/34/823625134.db2.gz JQOLKIOOTUPVCR-QFIPXVFZSA-N 1 0 380.532 4.101 20 0 GIADRO Cc1cc(C)c(OCC(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c(C)c1 ZINC000062231400 823625287 /nfs/dbraw/zinc/62/52/87/823625287.db2.gz BRTZOMXFMZAKJV-JOCHJYFZSA-N 1 0 380.532 4.019 20 0 GIADRO COC(=O)[C@]1(C)CCC[N@@H+]([C@@H](C)c2nnc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC000412065956 823625330 /nfs/dbraw/zinc/62/53/30/823625330.db2.gz LHBAARTVGNHXGO-BBATYDOGSA-N 1 0 398.290 4.380 20 0 GIADRO CCC[NH+]1CCN(c2ccccc2CNCc2csc(-c3ccco3)n2)CC1 ZINC000124776828 823625435 /nfs/dbraw/zinc/62/54/35/823625435.db2.gz BQZKNEDKSQKFLF-UHFFFAOYSA-N 1 0 396.560 4.225 20 0 GIADRO Cc1ccccc1NC(=O)[C@H](C)[NH2+]CC1(c2ccc(Cl)cc2)CCOCC1 ZINC000062240667 823625696 /nfs/dbraw/zinc/62/56/96/823625696.db2.gz ZKKMSQOALIYMQV-KRWDZBQOSA-N 1 0 386.923 4.313 20 0 GIADRO Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC000412080548 823625922 /nfs/dbraw/zinc/62/59/22/823625922.db2.gz VTWDBEYKPVJPRI-OALUTQOASA-N 1 0 388.552 4.464 20 0 GIADRO O=C(NCC1CCC(c2ccccc2)CC1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412088408 823626210 /nfs/dbraw/zinc/62/62/10/823626210.db2.gz PLBQKXUQSDSCAJ-ZNIKRAEXSA-N 1 0 386.605 4.294 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)NC3(c4ccccc4)CCC3)c(C)c2)CC1 ZINC000062248562 823626214 /nfs/dbraw/zinc/62/62/14/823626214.db2.gz DFSBLGYADAJECO-UHFFFAOYSA-N 1 0 392.547 4.338 20 0 GIADRO C[NH+]1CCN(c2ccccc2NC(=O)N(Cc2ccccc2)CC2CCC2)CC1 ZINC000062249151 823626219 /nfs/dbraw/zinc/62/62/19/823626219.db2.gz VACZEVIJEKKUPG-UHFFFAOYSA-N 1 0 392.547 4.273 20 0 GIADRO COCCOc1cccc(C[NH2+]C2CCN(c3nc4ccccc4s3)CC2)c1 ZINC000062259583 823626914 /nfs/dbraw/zinc/62/69/14/823626914.db2.gz DNADXTKSOXFHLB-UHFFFAOYSA-N 1 0 397.544 4.080 20 0 GIADRO C[C@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)c1cccc(Cl)c1Cl ZINC000412115596 823627464 /nfs/dbraw/zinc/62/74/64/823627464.db2.gz GSHWOKBXPADWPU-JSGCOSHPSA-N 1 0 387.376 4.388 20 0 GIADRO C[C@H](C(=O)Nc1ccccc1CN(C)C(=O)c1cccs1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000412130409 823628639 /nfs/dbraw/zinc/62/86/39/823628639.db2.gz PNJRGYGZFXMPKY-IXDOHACOSA-N 1 0 399.560 4.220 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(C)cc2Br)cc1 ZINC000124819984 823628675 /nfs/dbraw/zinc/62/86/75/823628675.db2.gz JWNJYYOEZIQWTF-AWEZNQCLSA-N 1 0 391.309 4.446 20 0 GIADRO COc1cc(Cl)c(F)c(C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000412132288 823628879 /nfs/dbraw/zinc/62/88/79/823628879.db2.gz PTYFYLMEXUZUDO-XIKOKIGWSA-N 1 0 396.915 4.362 20 0 GIADRO COc1ccccc1[C@@H]1C[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000412136079 823629208 /nfs/dbraw/zinc/62/92/08/823629208.db2.gz VVTXRBQTHXDXNI-WENLIBGGSA-N 1 0 392.543 4.310 20 0 GIADRO CCC(CC)(C[NH2+]Cc1cnc2n[nH]c(C)c2c1)c1ccc(OC)c(OC)c1 ZINC000461397325 823629359 /nfs/dbraw/zinc/62/93/59/823629359.db2.gz AGULODHQUUEYNA-UHFFFAOYSA-N 1 0 382.508 4.131 20 0 GIADRO C[C@H]([NH2+]C[C@@H](c1ccc(F)cc1)N(C)C)c1ccc(-n2cncn2)cc1Cl ZINC000124833308 823629540 /nfs/dbraw/zinc/62/95/40/823629540.db2.gz JGHCAXCLBNZCIT-XOBRGWDASA-N 1 0 387.890 4.013 20 0 GIADRO O=S1(=O)CCCC[C@H]1C[NH2+]Cc1ccccc1Oc1ccc(F)cc1Cl ZINC000461401127 823629818 /nfs/dbraw/zinc/62/98/18/823629818.db2.gz QHQWDFRZKLEVGP-INIZCTEOSA-N 1 0 397.899 4.328 20 0 GIADRO Cc1noc(C)c1C[C@H](C)NC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000124842117 823630289 /nfs/dbraw/zinc/63/02/89/823630289.db2.gz BDWFCTAGFDMGPW-KRWDZBQOSA-N 1 0 398.551 4.098 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C[C@@H](c1ccc(O)cc1)C1CC1 ZINC000412162334 823631791 /nfs/dbraw/zinc/63/17/91/823631791.db2.gz LXHYUCCRXVVELK-QFWMQHCXSA-N 1 0 392.543 4.303 20 0 GIADRO COc1cc(OC)c([C@H](C)[NH2+][C@H]2CCC[C@H](C(=O)NC(C)C)C2)cc1Cl ZINC000124866368 823632346 /nfs/dbraw/zinc/63/23/46/823632346.db2.gz KZOUGZMIEYFRPD-KKUMJFAQSA-N 1 0 382.932 4.091 20 0 GIADRO O=C([C@@H]1CCCc2sccc21)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461419863 823632590 /nfs/dbraw/zinc/63/25/90/823632590.db2.gz AHWAFJBUCHZBFX-SVFBPWRDSA-N 1 0 380.557 4.149 20 0 GIADRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)Nc1ccc(OC(F)F)c(F)c1 ZINC000062400698 823632841 /nfs/dbraw/zinc/63/28/41/823632841.db2.gz FLDYDWXHSYYPME-UHFFFAOYSA-N 1 0 399.388 4.162 20 0 GIADRO O=C(N[C@H](c1cccc(F)c1)C1CCCC1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412181565 823633461 /nfs/dbraw/zinc/63/34/61/823633461.db2.gz IPNOPMYWYJXARF-RTWAWAEBSA-N 1 0 390.568 4.391 20 0 GIADRO O=C(CCc1ccc2[nH]ccc2c1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461424430 823633844 /nfs/dbraw/zinc/63/38/44/823633844.db2.gz GJSZYAUPYYGYRD-XZOQPEGZSA-N 1 0 387.527 4.081 20 0 GIADRO C[C@H]1CN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)C[C@@H](c2ccsc2)O1 ZINC000412185716 823633990 /nfs/dbraw/zinc/63/39/90/823633990.db2.gz MQLJZFMWSQLDLR-UWJYYQICSA-N 1 0 384.545 4.336 20 0 GIADRO CC[C@H](OC1CCCCC1)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461426973 823634316 /nfs/dbraw/zinc/63/43/16/823634316.db2.gz LFTPKHZAMHODDB-FUDKSRODSA-N 1 0 384.564 4.095 20 0 GIADRO O=C(CSc1cccc(C(F)(F)F)c1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000461426961 823634348 /nfs/dbraw/zinc/63/43/48/823634348.db2.gz LEWUXYUFEQIGDR-HNNXBMFYSA-N 1 0 386.483 4.132 20 0 GIADRO O=C(C1CCC(C(F)(F)F)CC1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461427775 823634657 /nfs/dbraw/zinc/63/46/57/823634657.db2.gz HNBAXJMLZKCXBH-WBFXSEPVSA-N 1 0 394.481 4.336 20 0 GIADRO CCOc1cc(Cl)ccc1C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461427567 823634672 /nfs/dbraw/zinc/63/46/72/823634672.db2.gz KYXWXETXTMFFCI-RBUKOAKNSA-N 1 0 398.934 4.333 20 0 GIADRO CCc1cc(Br)ccc1NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412196108 823634697 /nfs/dbraw/zinc/63/46/97/823634697.db2.gz QQNLXLRZUOJRII-MRXNPFEDSA-N 1 0 397.382 4.168 20 0 GIADRO O=C(C1CCC(C(F)(F)F)CC1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461427772 823634749 /nfs/dbraw/zinc/63/47/49/823634749.db2.gz HNBAXJMLZKCXBH-KAXARAQCSA-N 1 0 394.481 4.336 20 0 GIADRO O=C(Nc1ccc(Sc2ccncc2)cc1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412196336 823634794 /nfs/dbraw/zinc/63/47/94/823634794.db2.gz KJOHHGVMTVEJHC-SFHVURJKSA-N 1 0 399.585 4.389 20 0 GIADRO COc1cc(Br)c(C[NH2+]CCc2ccccc2Cl)cc1OC ZINC000062424778 823634939 /nfs/dbraw/zinc/63/49/39/823634939.db2.gz GTZNERXLRYHCHH-UHFFFAOYSA-N 1 0 384.701 4.452 20 0 GIADRO Cc1nc2ccc(C(=O)N3C[C@H]4CC[N@H+](Cc5ccccc5)C[C@@H]4C3)cc2s1 ZINC000461428920 823635105 /nfs/dbraw/zinc/63/51/05/823635105.db2.gz UAOCQXYHXDTTMP-WOJBJXKFSA-N 1 0 391.540 4.199 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Nc1cc(C)nn1Cc1ccccc1)c1ccco1 ZINC000062428935 823635248 /nfs/dbraw/zinc/63/52/48/823635248.db2.gz KQSYSISEVYCTIT-LJQANCHMSA-N 1 0 395.507 4.037 20 0 GIADRO O=C(CCSc1ccc(F)cc1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461432609 823635949 /nfs/dbraw/zinc/63/59/49/823635949.db2.gz OMXVHKBVWDMEML-VQTJNVASSA-N 1 0 398.547 4.288 20 0 GIADRO CC(C)(CO)[C@@H](CNC(=O)c1cccc(C[NH+]2CCCCC2)c1)c1ccccc1 ZINC000412207622 823635946 /nfs/dbraw/zinc/63/59/46/823635946.db2.gz VNKCFGFNGIWVLC-QHCPKHFHSA-N 1 0 394.559 4.205 20 0 GIADRO OCC[C@@H]([NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)C1CCOCC1 ZINC000461432940 823636047 /nfs/dbraw/zinc/63/60/47/823636047.db2.gz VDUHOEMBMLEFDG-GOSISDBHSA-N 1 0 383.410 4.233 20 0 GIADRO O=C(c1csc2c1CCCC2)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461432993 823636064 /nfs/dbraw/zinc/63/60/64/823636064.db2.gz VLIWIEWQMATVSC-RBUKOAKNSA-N 1 0 380.557 4.221 20 0 GIADRO O=C(c1csc2c1CCCC2)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461432991 823636100 /nfs/dbraw/zinc/63/61/00/823636100.db2.gz VLIWIEWQMATVSC-MOPGFXCFSA-N 1 0 380.557 4.221 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H](C(=O)NC(C)C)C2)cc1OCC ZINC000124910130 823636236 /nfs/dbraw/zinc/63/62/36/823636236.db2.gz JMWDGIONPPFLFN-YTQUADARSA-N 1 0 376.541 4.218 20 0 GIADRO OCc1cccc(NC2CC[NH+](Cc3ccccc3Br)CC2)c1 ZINC000190996481 823636329 /nfs/dbraw/zinc/63/63/29/823636329.db2.gz RQHZVFUNWYHBET-UHFFFAOYSA-N 1 0 375.310 4.018 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)c2ccc(OC)cc2Br)CC1 ZINC000124915633 823636530 /nfs/dbraw/zinc/63/65/30/823636530.db2.gz PNCFXLDZCXQIPV-UHFFFAOYSA-N 1 0 397.357 4.042 20 0 GIADRO O=C(CCc1ccnc2ccccc12)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461435429 823636757 /nfs/dbraw/zinc/63/67/57/823636757.db2.gz IMBRDYZDXDZDTE-DHIUTWEWSA-N 1 0 399.538 4.148 20 0 GIADRO O=C(CCc1cc(Cl)cs1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461435396 823636851 /nfs/dbraw/zinc/63/68/51/823636851.db2.gz XPYFECVGVHLLFA-MSOLQXFVSA-N 1 0 388.964 4.315 20 0 GIADRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)NCc1ccc(Cl)cc1 ZINC000062473573 823636964 /nfs/dbraw/zinc/63/69/64/823636964.db2.gz UJCOYUWNSSQUCI-UHFFFAOYSA-N 1 0 380.319 4.267 20 0 GIADRO Cc1cc(OCCCC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)ccc1Cl ZINC000461436532 823637104 /nfs/dbraw/zinc/63/71/04/823637104.db2.gz CHLQJVVXSSYMGF-GOSISDBHSA-N 1 0 378.944 4.142 20 0 GIADRO O=C([C@@H]1C[C@@H]1c1ccc(F)cc1F)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461436737 823637146 /nfs/dbraw/zinc/63/71/46/823637146.db2.gz DHUODJFNGUBMIR-MOXQZVSFSA-N 1 0 396.481 4.049 20 0 GIADRO C#CCN(Cc1ccc(F)cc1)C(=O)NCc1ccc(C[NH+](CC)CC)cc1 ZINC000062476401 823637239 /nfs/dbraw/zinc/63/72/39/823637239.db2.gz SCTUTVDMOYYUKM-UHFFFAOYSA-N 1 0 381.495 4.013 20 0 GIADRO CC1CC[NH+](CCCNC(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)CC1 ZINC000062475988 823637264 /nfs/dbraw/zinc/63/72/64/823637264.db2.gz FJMLVZRPDZEEIY-UHFFFAOYSA-N 1 0 382.552 4.179 20 0 GIADRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)NCC1(c2ccccc2)CCC1 ZINC000062477111 823637360 /nfs/dbraw/zinc/63/73/60/823637360.db2.gz BZITXDXGGPLMIM-UHFFFAOYSA-N 1 0 383.511 4.021 20 0 GIADRO O=C(c1ccc(OCc2ccccc2)cc1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000461439220 823637473 /nfs/dbraw/zinc/63/74/73/823637473.db2.gz PPLCEIOWGBDQCJ-NRFANRHFSA-N 1 0 378.516 4.214 20 0 GIADRO Cc1noc(C)c1C[C@@H](C)NC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000124925140 823637503 /nfs/dbraw/zinc/63/75/03/823637503.db2.gz VNIIFXNDNKHVOG-QGZVFWFLSA-N 1 0 398.551 4.098 20 0 GIADRO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CC=C(c2ccccc2Cl)CC1 ZINC000412229503 823637753 /nfs/dbraw/zinc/63/77/53/823637753.db2.gz QGMZOTPVPCOZOV-GOSISDBHSA-N 1 0 390.980 4.173 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H]1CC(C)(C)Oc2ccccc21 ZINC000412230852 823637839 /nfs/dbraw/zinc/63/78/39/823637839.db2.gz SJIBORVGLUGKHR-NRFANRHFSA-N 1 0 393.531 4.101 20 0 GIADRO COc1ccc(C[C@@H](C)CN(C)C(=O)c2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000124931440 823637996 /nfs/dbraw/zinc/63/79/96/823637996.db2.gz NEGYJRWOQAVEKQ-LJQANCHMSA-N 1 0 380.532 4.242 20 0 GIADRO O=C(c1cccn1C1CCCC1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461441241 823638268 /nfs/dbraw/zinc/63/82/68/823638268.db2.gz FBAABOISNDPCKH-SFTDATJTSA-N 1 0 377.532 4.197 20 0 GIADRO O=C([C@@H]1C[C@@]1(F)c1ccccc1)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000412236541 823638537 /nfs/dbraw/zinc/63/85/37/823638537.db2.gz SXGMKKQONDLZAT-WIOPSUGQSA-N 1 0 392.518 4.386 20 0 GIADRO CCCOc1cccc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000461444603 823638991 /nfs/dbraw/zinc/63/89/91/823638991.db2.gz LRUBJIJDXQFFMR-FGZHOGPDSA-N 1 0 378.516 4.070 20 0 GIADRO C[C@H](CC[NH+](C)C)NC(=O)N[C@@H](c1cccs1)c1ccc2c(c1)CCCC2 ZINC000062507369 823639052 /nfs/dbraw/zinc/63/90/52/823639052.db2.gz OGLDQPDPPBFPOW-IIBYNOLFSA-N 1 0 385.577 4.356 20 0 GIADRO CCCOc1cccc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000461444607 823639114 /nfs/dbraw/zinc/63/91/14/823639114.db2.gz LRUBJIJDXQFFMR-YADHBBJMSA-N 1 0 378.516 4.070 20 0 GIADRO CCNC(=O)COc1cccc(C[NH2+][C@H]2CCc3c2ccc(Cl)c3Cl)c1 ZINC000124948469 823639602 /nfs/dbraw/zinc/63/96/02/823639602.db2.gz IWXMCXYBIQWTQJ-SFHVURJKSA-N 1 0 393.314 4.285 20 0 GIADRO O=C(CCc1ccc(Cl)s1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461448869 823639784 /nfs/dbraw/zinc/63/97/84/823639784.db2.gz VRLGLDHTGDXENX-ROUUACIJSA-N 1 0 388.964 4.315 20 0 GIADRO Cc1c(Cl)cccc1NNC(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000062528314 823640044 /nfs/dbraw/zinc/64/00/44/823640044.db2.gz YXSPEXCKUYCKMW-UHFFFAOYSA-N 1 0 378.948 4.319 20 0 GIADRO O=C(NC1CC[NH+](CC2CCCCC2)CC1)N(Cc1cccs1)C1CC1 ZINC000062528681 823640093 /nfs/dbraw/zinc/64/00/93/823640093.db2.gz YPTGMUBMHBNXQL-UHFFFAOYSA-N 1 0 375.582 4.467 20 0 GIADRO O=C(NNc1ccccc1C(F)(F)F)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000062528986 823640123 /nfs/dbraw/zinc/64/01/23/823640123.db2.gz GQFVZWBNURDFPI-UHFFFAOYSA-N 1 0 398.473 4.376 20 0 GIADRO Cc1ccc2cc(C(=O)N3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@@H]4C3)ccc2n1 ZINC000461449952 823640170 /nfs/dbraw/zinc/64/01/70/823640170.db2.gz PLMQKAHYFCQHJU-XZOQPEGZSA-N 1 0 385.511 4.137 20 0 GIADRO O=C(c1c[nH]cc1-c1ccccc1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461450447 823640208 /nfs/dbraw/zinc/64/02/08/823640208.db2.gz XRFCXOJLNICWAH-FGZHOGPDSA-N 1 0 385.511 4.276 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)(F)F)c1 ZINC000124955556 823640270 /nfs/dbraw/zinc/64/02/70/823640270.db2.gz CIXJMXBIVFEXKD-IAGOWNOFSA-N 1 0 378.394 4.389 20 0 GIADRO Cn1cc(CNC(=O)c2cccc(C[NH+]3CCCCC3)c2)c(-c2ccccc2)n1 ZINC000412255307 823640245 /nfs/dbraw/zinc/64/02/45/823640245.db2.gz YYNVXAYCMAQPII-UHFFFAOYSA-N 1 0 388.515 4.003 20 0 GIADRO CSc1ccc(C)c(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000461451770 823640392 /nfs/dbraw/zinc/64/03/92/823640392.db2.gz SSIRVFDFQSERAC-PMACEKPBSA-N 1 0 380.557 4.311 20 0 GIADRO CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412257309 823640596 /nfs/dbraw/zinc/64/05/96/823640596.db2.gz WSKUAYHCYDKQTQ-RZUBCFFCSA-N 1 0 386.605 4.280 20 0 GIADRO O=C(c1ccc(C(F)(F)F)cc1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461454191 823640876 /nfs/dbraw/zinc/64/08/76/823640876.db2.gz GQYQPFXKXSJXRW-MOPGFXCFSA-N 1 0 388.433 4.300 20 0 GIADRO C[C@@H]1CCC[C@H](CC(=O)NC2CC[NH+](CCOc3ccc(F)cc3)CC2)C1 ZINC000461456186 823641459 /nfs/dbraw/zinc/64/14/59/823641459.db2.gz ILZKJSKQYXSBOC-MSOLQXFVSA-N 1 0 376.516 4.002 20 0 GIADRO CC(C)(CNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)c1cccc(Cl)c1F ZINC000412267853 823641778 /nfs/dbraw/zinc/64/17/78/823641778.db2.gz IECWGTPVOPCXGO-OAHLLOKOSA-N 1 0 398.975 4.090 20 0 GIADRO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C(=O)c1csc(C2CCCCC2)n1 ZINC000412271086 823641975 /nfs/dbraw/zinc/64/19/75/823641975.db2.gz OAUMUQNTNSYGEU-ICSRJNTNSA-N 1 0 398.576 4.351 20 0 GIADRO Cc1ccc(SCC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000461459155 823642051 /nfs/dbraw/zinc/64/20/51/823642051.db2.gz ZSJROERRYOJFPC-RTWAWAEBSA-N 1 0 380.557 4.068 20 0 GIADRO CCOc1ccc(Oc2cc(C[NH2+][C@@H]3CCCc4c3cnn4C)ccn2)cc1 ZINC000124980051 823642305 /nfs/dbraw/zinc/64/23/05/823642305.db2.gz SBNYTRAYFOUNRM-HXUWFJFHSA-N 1 0 378.476 4.173 20 0 GIADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)C1 ZINC000062649688 823643270 /nfs/dbraw/zinc/64/32/70/823643270.db2.gz VMYYTCSMVBDKHX-MRXNPFEDSA-N 1 0 378.476 4.347 20 0 GIADRO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@H]1CCCc2c(O)cccc21 ZINC000461467739 823643267 /nfs/dbraw/zinc/64/32/67/823643267.db2.gz VGHBJBWSELTMMY-REWPJTCUSA-N 1 0 392.543 4.231 20 0 GIADRO CC(C)COc1ccccc1CNC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000062646896 823643383 /nfs/dbraw/zinc/64/33/83/823643383.db2.gz KDYDKOKIDHCCCR-LJQANCHMSA-N 1 0 375.557 4.033 20 0 GIADRO Cc1cc(C(F)(F)F)ccc1C[NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000191058169 823643483 /nfs/dbraw/zinc/64/34/83/823643483.db2.gz GCXLJVBKSJRGEO-KRWDZBQOSA-N 1 0 376.422 4.152 20 0 GIADRO C[N@H+](CCCO)C1CCN(Cc2ccc(Oc3ccccc3F)c(F)c2)CC1 ZINC000125004902 823644341 /nfs/dbraw/zinc/64/43/41/823644341.db2.gz WOINHUNWHSJVHX-UHFFFAOYSA-N 1 0 390.474 4.036 20 0 GIADRO CCn1ccnc1[C@H]1CCCCN1C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412306097 823644865 /nfs/dbraw/zinc/64/48/65/823644865.db2.gz DVOIOVBEPIFZMV-OAQYLSRUSA-N 1 0 380.536 4.256 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=S)Nc3ccc(C)cc3)CC2)cc1 ZINC000062700172 823644899 /nfs/dbraw/zinc/64/48/99/823644899.db2.gz POVZDVOMCZDLSP-UHFFFAOYSA-N 1 0 383.561 4.202 20 0 GIADRO C[NH+](C)CCCNC(=S)N[C@@H](Cc1ccccc1Cl)c1ccccc1 ZINC000062699864 823644930 /nfs/dbraw/zinc/64/49/30/823644930.db2.gz GIUZOKLQFBWJQW-IBGZPJMESA-N 1 0 375.969 4.040 20 0 GIADRO O=C(N[C@@H]1C[C@H]1c1ccc2ccccc2c1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412312223 823645397 /nfs/dbraw/zinc/64/53/97/823645397.db2.gz PFRWRXATRDCRRH-FDFHNCONSA-N 1 0 380.557 4.029 20 0 GIADRO CC(C)[C@@H](C(=O)OCc1ccccc1NC(=O)c1ccco1)[NH+]1CCCCC1 ZINC000125018700 823645522 /nfs/dbraw/zinc/64/55/22/823645522.db2.gz KSKTZFHFXPOGOB-FQEVSTJZSA-N 1 0 384.476 4.086 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)N(C)[C@@H](C)c2ccc(OC)cc2)c1 ZINC000125027790 823646218 /nfs/dbraw/zinc/64/62/18/823646218.db2.gz UXCXWMJRJBUUCQ-SFHVURJKSA-N 1 0 383.536 4.440 20 0 GIADRO CC[C@@H](C(=O)N1CCCCC[C@@H]1c1noc(-c2ccccc2)n1)[NH+](CC)CC ZINC000461485848 823646549 /nfs/dbraw/zinc/64/65/49/823646549.db2.gz ALPOGQUPNCFHJR-RBUKOAKNSA-N 1 0 384.524 4.301 20 0 GIADRO Cc1ccc([C@@H](C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)N2CCCC2)cc1 ZINC000125035720 823647004 /nfs/dbraw/zinc/64/70/04/823647004.db2.gz GYKVVQYBCQBIDR-WMZHIEFXSA-N 1 0 375.520 4.063 20 0 GIADRO Cc1ccc([C@@H](C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)N2CCCC2)cc1 ZINC000125036193 823647202 /nfs/dbraw/zinc/64/72/02/823647202.db2.gz GYKVVQYBCQBIDR-AUSIDOKSSA-N 1 0 375.520 4.063 20 0 GIADRO CC(C)[NH+]1CCN(c2cccc(N[C@H](C)c3nc(-c4ccccc4)no3)c2)CC1 ZINC000125045898 823647811 /nfs/dbraw/zinc/64/78/11/823647811.db2.gz UMLRJEIJZAZIHL-GOSISDBHSA-N 1 0 391.519 4.440 20 0 GIADRO COc1ccc2cc([C@@H](C)[NH2+]C[C@@H](O)c3cc(OC)ccc3OC)ccc2c1 ZINC000125051830 823648285 /nfs/dbraw/zinc/64/82/85/823648285.db2.gz RCIRDSPJCLMBPT-IVZQSRNASA-N 1 0 381.472 4.250 20 0 GIADRO CCC[N@H+](C)[C@H](CNC(=O)CCc1scnc1C)c1ccc(Cl)cc1 ZINC000412342359 823648436 /nfs/dbraw/zinc/64/84/36/823648436.db2.gz ZKMDKTDWNGQCBB-QGZVFWFLSA-N 1 0 379.957 4.237 20 0 GIADRO C[NH+]1CCC(Oc2ccc(CNC(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)cc2)CC1 ZINC000412346450 823648771 /nfs/dbraw/zinc/64/87/71/823648771.db2.gz UADMORXYIPOGHG-FCHUYYIVSA-N 1 0 398.934 4.233 20 0 GIADRO Cc1ccnc(Oc2ccc(NC(=O)N3CC[NH+](CCC(C)(C)C)CC3)cc2)n1 ZINC000125063023 823649371 /nfs/dbraw/zinc/64/93/71/823649371.db2.gz YFTYZSZNVRQJMM-UHFFFAOYSA-N 1 0 397.523 4.163 20 0 GIADRO C[C@H](c1nnc(SCC[C@@H]2CCC[N@@H+]2C)n1-c1ccccc1)N1CCCCC1 ZINC000125075367 823650144 /nfs/dbraw/zinc/65/01/44/823650144.db2.gz PTPJTGPANKSAEL-MOPGFXCFSA-N 1 0 399.608 4.391 20 0 GIADRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)C1(c2cccc(F)c2)CCC1 ZINC000063080491 823650321 /nfs/dbraw/zinc/65/03/21/823650321.db2.gz OOKYUJLEVCMBCY-UHFFFAOYSA-N 1 0 380.507 4.276 20 0 GIADRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)c1c2c(nc3ccccc31)CCC2 ZINC000063080520 823650357 /nfs/dbraw/zinc/65/03/57/823650357.db2.gz RHUJDYDYQFHHPJ-UHFFFAOYSA-N 1 0 399.538 4.366 20 0 GIADRO Cc1nc(NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)ccc1-c1ccccc1 ZINC000412371276 823650623 /nfs/dbraw/zinc/65/06/23/823650623.db2.gz YUOYBBCQVSKAQO-IBGZPJMESA-N 1 0 381.545 4.213 20 0 GIADRO COCC[C@@H](NC(=O)CC[C@H]1CCCC[N@@H+]1C)c1cccc(C(F)(F)F)c1 ZINC000412376514 823650756 /nfs/dbraw/zinc/65/07/56/823650756.db2.gz IHLJAIOAUIRUQE-QZTJIDSGSA-N 1 0 386.458 4.164 20 0 GIADRO COCC(C)(C)CC(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000412377246 823650795 /nfs/dbraw/zinc/65/07/95/823650795.db2.gz RWIBQKYBMDDBHJ-QFIPXVFZSA-N 1 0 386.580 4.198 20 0 GIADRO Cc1ccc(C(=O)N2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)nc1C ZINC000412379044 823650955 /nfs/dbraw/zinc/65/09/55/823650955.db2.gz VRCNYEIOURCUCP-HSZRJFAPSA-N 1 0 391.559 4.461 20 0 GIADRO COc1ccc([C@@H](C[NH2+][C@@H](C)c2cnn(C(C)(C)C)c2C)N2CCCC2)cc1 ZINC000191121358 823651458 /nfs/dbraw/zinc/65/14/58/823651458.db2.gz VGGOZZSBWQYOMY-HTAPYJJXSA-N 1 0 384.568 4.443 20 0 GIADRO COc1c(Br)cc(Br)cc1C[NH2+]CCC(F)(F)F ZINC000063099474 823651553 /nfs/dbraw/zinc/65/15/53/823651553.db2.gz XGWUGEAWBQXEKD-UHFFFAOYSA-N 1 0 391.025 4.262 20 0 GIADRO S=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@@H]1c1cccs1 ZINC000063144457 823652489 /nfs/dbraw/zinc/65/24/89/823652489.db2.gz VZDGFKSSMNPAAJ-LJQANCHMSA-N 1 0 385.602 4.424 20 0 GIADRO S=C(Nc1ccccc1N1CCCC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000063144513 823652533 /nfs/dbraw/zinc/65/25/33/823652533.db2.gz SDVOUYPOWMORAC-UHFFFAOYSA-N 1 0 394.588 4.238 20 0 GIADRO CN(Cc1cccc(Cl)c1)C(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000063143965 823652565 /nfs/dbraw/zinc/65/25/65/823652565.db2.gz SMMBSKNOVLDLND-UHFFFAOYSA-N 1 0 387.980 4.311 20 0 GIADRO S=C(N[C@H](c1ccccc1)C1CC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000063146146 823652786 /nfs/dbraw/zinc/65/27/86/823652786.db2.gz VIJYIEOUYDBOPR-JOCHJYFZSA-N 1 0 379.573 4.266 20 0 GIADRO Cc1noc(C)c1C[NH+]1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000125120465 823652849 /nfs/dbraw/zinc/65/28/49/823652849.db2.gz QTHYLISGEYCKKJ-UHFFFAOYSA-N 1 0 382.291 4.449 20 0 GIADRO Cc1ccc(C)c(-n2cnc3cc(C(=O)N(C)[C@H]4CC[N@H+](C)[C@H](C)C4)ccc32)c1 ZINC000191160401 823654940 /nfs/dbraw/zinc/65/49/40/823654940.db2.gz LWUKXACFXSNWPK-QUCCMNQESA-N 1 0 390.531 4.197 20 0 GIADRO C[C@@H](c1nc(-c2ccc(-n3cnc4ccccc43)nc2)no1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000191169249 823655826 /nfs/dbraw/zinc/65/58/26/823655826.db2.gz PVTBTLPQMAMVAR-XHSDSOJGSA-N 1 0 388.475 4.404 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)c3ccc(CSC)cc3)CC2)cc1 ZINC000063263321 823658038 /nfs/dbraw/zinc/65/80/38/823658038.db2.gz VIOXHEABFHCWJR-UHFFFAOYSA-N 1 0 398.572 4.200 20 0 GIADRO COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)Nc2cc(C[NH+]3CCCC3)ccc2C)c1 ZINC000191201063 823658787 /nfs/dbraw/zinc/65/87/87/823658787.db2.gz KDSSZMYWJWUJNY-FPOVZHCZSA-N 1 0 394.515 4.350 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(C(=O)NC[C@@H]2CCCO2)c1)c1csc(Cl)c1 ZINC000191211358 823659603 /nfs/dbraw/zinc/65/96/03/823659603.db2.gz CUTYQZXTUMWHQZ-GUYCJALGSA-N 1 0 378.925 4.161 20 0 GIADRO COCCN(C)c1ccc(C[NH2+]Cc2ccc(-c3ccc(OC)cc3)cc2)cn1 ZINC000191213993 823659784 /nfs/dbraw/zinc/65/97/84/823659784.db2.gz QJUVZTSLERTWOH-UHFFFAOYSA-N 1 0 391.515 4.130 20 0 GIADRO COCCN(C)c1ccc(C[NH2+]C2(c3cccc(C(F)(F)F)c3)CCC2)cn1 ZINC000191217754 823660096 /nfs/dbraw/zinc/66/00/96/823660096.db2.gz XDGTXCQPYSSPGY-UHFFFAOYSA-N 1 0 393.453 4.352 20 0 GIADRO C[C@H](CC(=O)OC[C@H]1CCC[N@H+](Cc2cc(F)ccc2F)C1)c1ccncc1 ZINC000125231506 823660729 /nfs/dbraw/zinc/66/07/29/823660729.db2.gz PSSRNCYPBWKQMW-SJORKVTESA-N 1 0 388.458 4.309 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1)c1csc(Cl)c1 ZINC000191224372 823660752 /nfs/dbraw/zinc/66/07/52/823660752.db2.gz WAIJEQUKLVALLN-CYBMUJFWSA-N 1 0 384.954 4.037 20 0 GIADRO CCCc1c(C(=O)Nc2ccc(C[NH+](C)C)cc2F)cnn1-c1ccc(F)cc1 ZINC000412557485 823661927 /nfs/dbraw/zinc/66/19/27/823661927.db2.gz IPRLOHUXSRFQFA-UHFFFAOYSA-N 1 0 398.457 4.417 20 0 GIADRO C[NH+](C)Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2OC(F)F)c(F)c1 ZINC000412555893 823662013 /nfs/dbraw/zinc/66/20/13/823662013.db2.gz CSJDWMDXZJGNOB-LSDHHAIUSA-N 1 0 378.394 4.231 20 0 GIADRO C[NH+](C)Cc1ccc(NC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)c(F)c1 ZINC000412558078 823662169 /nfs/dbraw/zinc/66/21/69/823662169.db2.gz KGVYWLPHNVIGCA-UHFFFAOYSA-N 1 0 380.423 4.067 20 0 GIADRO C[NH+](C)Cc1ccc(NC(=O)CCc2ccc(OC(F)(F)F)cc2)c(F)c1 ZINC000412557865 823662181 /nfs/dbraw/zinc/66/21/81/823662181.db2.gz JZNFBVDMVHMDGX-UHFFFAOYSA-N 1 0 384.373 4.357 20 0 GIADRO Cc1nc(C(=O)Nc2ccc(C[NH+](C)C)cc2F)nn1-c1ccccc1C(C)C ZINC000412558080 823662210 /nfs/dbraw/zinc/66/22/10/823662210.db2.gz KHIMXYGKWUKASC-UHFFFAOYSA-N 1 0 395.482 4.152 20 0 GIADRO FC(F)(F)c1cccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)c1 ZINC000125249759 823662307 /nfs/dbraw/zinc/66/23/07/823662307.db2.gz BJSPQDNVVXLPDL-INIZCTEOSA-N 1 0 378.442 4.403 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)c1ccc(OC(C)(C)C)cc1 ZINC000412560053 823662404 /nfs/dbraw/zinc/66/24/04/823662404.db2.gz AMCKZLFIMLGMKO-UHFFFAOYSA-N 1 0 386.492 4.065 20 0 GIADRO C[NH+](C)Cc1ccc(NC(=O)CCc2cc(Br)cs2)c(F)c1 ZINC000412562050 823662534 /nfs/dbraw/zinc/66/25/34/823662534.db2.gz VXGCHBNEJXAGCM-UHFFFAOYSA-N 1 0 385.302 4.283 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)c1ccc(SC(C)C)cc1 ZINC000412562776 823662708 /nfs/dbraw/zinc/66/27/08/823662708.db2.gz IXMXQEQIKAVUBD-UHFFFAOYSA-N 1 0 388.533 4.388 20 0 GIADRO CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc(OCC[NH+](C)C)cc2OC)cc1 ZINC000412562573 823662767 /nfs/dbraw/zinc/66/27/67/823662767.db2.gz ISJMQLHWFOBJBW-MRXNPFEDSA-N 1 0 386.492 4.065 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)N(C)[C@@H](C)c3ccccc3)CC2)cc1 ZINC000063331371 823663266 /nfs/dbraw/zinc/66/32/66/823663266.db2.gz WNRHIQSCHQWYGP-IBGZPJMESA-N 1 0 395.547 4.310 20 0 GIADRO COc1ccc(CC[NH2+][C@@H](C)c2cnn(C(C)(C)C)c2C)cc1OC(F)F ZINC000191252201 823663722 /nfs/dbraw/zinc/66/37/22/823663722.db2.gz CWYFIWJPSWJUSZ-ZDUSSCGKSA-N 1 0 381.467 4.450 20 0 GIADRO CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3ccc(OCC4CC4)cc3)ccc2NC1=O ZINC000191258813 823664355 /nfs/dbraw/zinc/66/43/55/823664355.db2.gz HNQZRTOYCFUBLM-YCRPNKLZSA-N 1 0 380.488 4.436 20 0 GIADRO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CN1CC[NH+](CCC(C)(C)C)CC1 ZINC000125280308 823664515 /nfs/dbraw/zinc/66/45/15/823664515.db2.gz MKDBUXSBFXSZFD-SFHVURJKSA-N 1 0 385.552 4.006 20 0 GIADRO C[C@H](c1cc2ccccc2o1)N(C)C(=O)CN1CC[NH+](CCC(C)(C)C)CC1 ZINC000125280495 823664553 /nfs/dbraw/zinc/66/45/53/823664553.db2.gz MKDBUXSBFXSZFD-GOSISDBHSA-N 1 0 385.552 4.006 20 0 GIADRO CC[C@H](C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)c1ccc(F)cc1 ZINC000125281876 823664738 /nfs/dbraw/zinc/66/47/38/823664738.db2.gz JMPVFMNCXGNARR-AVRDEDQJSA-N 1 0 398.522 4.336 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1OC(C)C ZINC000125281870 823664796 /nfs/dbraw/zinc/66/47/96/823664796.db2.gz XOODYCJGOLNUKK-HZPDHXFCSA-N 1 0 391.533 4.298 20 0 GIADRO CC(C)OCCN1CCC([NH2+]Cc2cc(Br)c(Cl)s2)CC1 ZINC000191273536 823666125 /nfs/dbraw/zinc/66/61/25/823666125.db2.gz YXOTXEUISKUKPU-UHFFFAOYSA-N 1 0 395.794 4.143 20 0 GIADRO CCCCCc1nnc(NC(=O)NC2CC[NH+](CC3CCCC3)CC2)s1 ZINC000063389268 823666475 /nfs/dbraw/zinc/66/64/75/823666475.db2.gz QOFNLZKDSPQBGH-UHFFFAOYSA-N 1 0 379.574 4.047 20 0 GIADRO CCc1cccc(NC(=O)NCC2CC[NH+](Cc3ccc(OC)cc3)CC2)c1 ZINC000063389027 823666494 /nfs/dbraw/zinc/66/64/94/823666494.db2.gz YDBDPDAWXVLAHH-UHFFFAOYSA-N 1 0 381.520 4.291 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)N[C@@H](C)c2noc(-c3ccccc3)n2)cc1)C(C)C ZINC000125311153 823667071 /nfs/dbraw/zinc/66/70/71/823667071.db2.gz AIHDHCKNPAZFDV-KRWDZBQOSA-N 1 0 392.503 4.458 20 0 GIADRO CCOCCOc1c(Cl)cccc1NC(=O)NCCC[NH+]1CCCCCC1 ZINC000063398205 823667837 /nfs/dbraw/zinc/66/78/37/823667837.db2.gz ZIWKANBBVDYOPT-UHFFFAOYSA-N 1 0 397.947 4.143 20 0 GIADRO C[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1C(F)(F)F ZINC000125325515 823668072 /nfs/dbraw/zinc/66/80/72/823668072.db2.gz HXPTXNUPAUCKAQ-QMTMVMCOSA-N 1 0 395.469 4.425 20 0 GIADRO Cc1c([C@@H](C)[NH2+][C@H]2CCN(c3ccccc3OC(F)F)C2)cnn1C(C)(C)C ZINC000191294158 823668574 /nfs/dbraw/zinc/66/85/74/823668574.db2.gz XWOWYVPKZCPARL-ZBFHGGJFSA-N 1 0 392.494 4.477 20 0 GIADRO C[NH+](C)CCC1CCN(C(=O)NCc2ccccc2Oc2ccccc2)CC1 ZINC000063404237 823668652 /nfs/dbraw/zinc/66/86/52/823668652.db2.gz ADNYYYAMQUOXSE-UHFFFAOYSA-N 1 0 381.520 4.352 20 0 GIADRO Cc1c([C@H](C)NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)cnn1C(C)(C)C ZINC000191300584 823669074 /nfs/dbraw/zinc/66/90/74/823669074.db2.gz VIAKBMIXPWFZLN-OALUTQOASA-N 1 0 398.595 4.497 20 0 GIADRO FC(F)Oc1cc2c(cc1C[NH2+]Cc1ccc(OCC3CC3)cc1)OCO2 ZINC000191311430 823670225 /nfs/dbraw/zinc/67/02/25/823670225.db2.gz XUNJUFGAZLQYOM-UHFFFAOYSA-N 1 0 377.387 4.095 20 0 GIADRO CC[NH+](CC)[C@H](C(=O)NC[C@@H]1C[C@H](C)O[C@@H]1C)c1cccc(C(F)(F)F)c1 ZINC000412656465 823671456 /nfs/dbraw/zinc/67/14/56/823671456.db2.gz PIGZRNXBJHESQJ-KPEUIFRASA-N 1 0 386.458 4.018 20 0 GIADRO Cc1[nH]c2ccccc2c1C1CCN(C(=O)NC2CCC(C[NH+](C)C)CC2)CC1 ZINC000125382076 823671939 /nfs/dbraw/zinc/67/19/39/823671939.db2.gz PSDDEBZDROZUDU-UHFFFAOYSA-N 1 0 396.579 4.486 20 0 GIADRO Cc1c(C[N@@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)c(=O)n(-c2ccccc2)n1C ZINC000125382127 823671958 /nfs/dbraw/zinc/67/19/58/823671958.db2.gz YHMJEMLISVRNNJ-GOSISDBHSA-N 1 0 381.907 4.127 20 0 GIADRO Cc1cccc(NC(=O)COc2ccc(OCC[NH+]3CCCCC3)cc2)c1C ZINC000063457457 823672536 /nfs/dbraw/zinc/67/25/36/823672536.db2.gz PWWOYOLDZCETMF-UHFFFAOYSA-N 1 0 382.504 4.186 20 0 GIADRO Cc1cc(C)c(NC(=O)COc2ccc(OCC[NH+]3CCCCC3)cc2)c(C)c1 ZINC000063457421 823672592 /nfs/dbraw/zinc/67/25/92/823672592.db2.gz WSVLNPXFGPBZRY-UHFFFAOYSA-N 1 0 396.531 4.494 20 0 GIADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1ccc(NC(=O)c2cccs2)c(C)c1 ZINC000461627452 823672632 /nfs/dbraw/zinc/67/26/32/823672632.db2.gz DHVINZVXVKKJDA-MRXNPFEDSA-N 1 0 387.549 4.159 20 0 GIADRO Cc1c(Cl)c(C[N@@H+]2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)nc2ccccc12 ZINC000125395847 823672976 /nfs/dbraw/zinc/67/29/76/823672976.db2.gz UNPYIQWJAYHIKM-FOIQADDNSA-N 1 0 383.923 4.172 20 0 GIADRO C[C@@H](c1ccccc1F)N(C)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000063464314 823673236 /nfs/dbraw/zinc/67/32/36/823673236.db2.gz AWZHDVJDRYODEG-AZUAARDMSA-N 1 0 383.511 4.440 20 0 GIADRO O=C(NCCSCc1ccccc1)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000063464632 823673400 /nfs/dbraw/zinc/67/34/00/823673400.db2.gz DGADSMXXODRANU-QFIPXVFZSA-N 1 0 397.588 4.131 20 0 GIADRO Cc1c2cc(F)ccc2oc1CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000125425078 823675193 /nfs/dbraw/zinc/67/51/93/823675193.db2.gz FPIKMYIBHULORI-BEFAXECRSA-N 1 0 385.483 4.039 20 0 GIADRO COc1cccc([C@@H]2CCC[N@@H+]2C[C@@H](O)COc2cccc(C(F)(F)F)c2)c1 ZINC000063484290 823675479 /nfs/dbraw/zinc/67/54/79/823675479.db2.gz RLZYZPSKWZCSAA-XLIONFOSSA-N 1 0 395.421 4.291 20 0 GIADRO O=C1C[C@@H]([C@H]2CCCC[N@H+]2Cc2ccc(Oc3ccccc3F)c(F)c2)CN1 ZINC000125430516 823675642 /nfs/dbraw/zinc/67/56/42/823675642.db2.gz NSADIPUTDUQMAU-VQIMIIECSA-N 1 0 386.442 4.248 20 0 GIADRO CCc1noc(-c2ccc(CC[NH2+][C@@H](C)c3cnn(C(C)(C)C)c3C)cc2)n1 ZINC000191356686 823675892 /nfs/dbraw/zinc/67/58/92/823675892.db2.gz HFFYOBMAJCBZLS-HNNXBMFYSA-N 1 0 381.524 4.452 20 0 GIADRO CCc1noc(-c2ccc(CC[NH2+][C@H](C)c3cnn(C(C)(C)C)c3C)cc2)n1 ZINC000191356700 823675940 /nfs/dbraw/zinc/67/59/40/823675940.db2.gz HFFYOBMAJCBZLS-OAHLLOKOSA-N 1 0 381.524 4.452 20 0 GIADRO CCC1(CC)[C@H]([NH2+]Cc2csc(CC(=O)Nc3ccccc3)n2)C[C@@H]1OC ZINC000191362342 823676564 /nfs/dbraw/zinc/67/65/64/823676564.db2.gz JQECYLIYHHYGIA-MSOLQXFVSA-N 1 0 387.549 4.008 20 0 GIADRO CC[C@@H](C(=O)N(CC)[C@@H](c1cccnc1)c1ccc(F)c(F)c1)[NH+](CC)CC ZINC000461664229 823677343 /nfs/dbraw/zinc/67/73/43/823677343.db2.gz RDRKHQBWUGXZRS-LEWJYISDSA-N 1 0 389.490 4.418 20 0 GIADRO CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+]Cc2ccc3ccccc3c2)cc1 ZINC000063526233 823677825 /nfs/dbraw/zinc/67/78/25/823677825.db2.gz LXGQHZBWMOMERH-UHFFFAOYSA-N 1 0 382.529 4.159 20 0 GIADRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000191370754 823677865 /nfs/dbraw/zinc/67/78/65/823677865.db2.gz OAVAFPMVGNZJPT-UONOGXRCSA-N 1 0 392.849 4.481 20 0 GIADRO CCC[N@H+](CC)Cc1ccc(C(=O)Nc2cccc([C@@H]3CCC(=O)N3)c2)cc1 ZINC000412724622 823677944 /nfs/dbraw/zinc/67/79/44/823677944.db2.gz GCLNDDPRTRDGIA-NRFANRHFSA-N 1 0 379.504 4.122 20 0 GIADRO CN1CC[C@H]([NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000125467606 823678529 /nfs/dbraw/zinc/67/85/29/823678529.db2.gz HTDVJPFYSBKQOB-RBUKOAKNSA-N 1 0 393.959 4.074 20 0 GIADRO CN1CC[C@@H]([NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000125467433 823678559 /nfs/dbraw/zinc/67/85/59/823678559.db2.gz HTDVJPFYSBKQOB-RTBURBONSA-N 1 0 393.959 4.074 20 0 GIADRO CC(=O)Nc1ccc(F)c(NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000125487811 823680186 /nfs/dbraw/zinc/68/01/86/823680186.db2.gz NNUWIVJTGKHCJW-UHFFFAOYSA-N 1 0 383.467 4.025 20 0 GIADRO CC(C)Cc1nc(C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)cs1 ZINC000063599144 823682291 /nfs/dbraw/zinc/68/22/91/823682291.db2.gz RUHFTASHBGUEHX-UHFFFAOYSA-N 1 0 398.576 4.126 20 0 GIADRO CCN(CCC[NH+](C)C)C(=O)Nc1ccc(Cl)cc1OCC(F)(F)F ZINC000191419777 823683142 /nfs/dbraw/zinc/68/31/42/823683142.db2.gz YFRQCSGWNLMGTE-UHFFFAOYSA-N 1 0 381.826 4.087 20 0 GIADRO C[C@H](Oc1ccccc1NC(=O)Nc1ccn(CC[NH+](C)C)n1)c1ccccc1 ZINC000191421074 823683367 /nfs/dbraw/zinc/68/33/67/823683367.db2.gz FMJMOADQVACMAK-KRWDZBQOSA-N 1 0 393.491 4.229 20 0 GIADRO COc1ccc(OC)c([C@H](C)NC(=O)C[N@@H+]2CCC[C@H]2c2ccc(C)c(C)c2)c1 ZINC000063619496 823683541 /nfs/dbraw/zinc/68/35/41/823683541.db2.gz CLVKQWJXOXTGCZ-AVRDEDQJSA-N 1 0 396.531 4.335 20 0 GIADRO C[C@H](NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)C(C)(C)C[NH+](C)C ZINC000461707661 823685105 /nfs/dbraw/zinc/68/51/05/823685105.db2.gz NBKHFIVQYUKXAB-SFHVURJKSA-N 1 0 390.531 4.245 20 0 GIADRO Cc1cc(NC(=O)[C@H](C)[NH2+]CC2(c3cccc(C(F)(F)F)c3)CCCC2)on1 ZINC000063631276 823685165 /nfs/dbraw/zinc/68/51/65/823685165.db2.gz VXTNOLDJGYESPQ-AWEZNQCLSA-N 1 0 395.425 4.430 20 0 GIADRO Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000461708628 823685375 /nfs/dbraw/zinc/68/53/75/823685375.db2.gz OQMCSKFEFSHMAZ-UTKZUKDTSA-N 1 0 397.567 4.174 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)CNc3ccccc3Cl)cc2)C1 ZINC000063645422 823686391 /nfs/dbraw/zinc/68/63/91/823686391.db2.gz RUIKOTGPNPCXNB-QGZVFWFLSA-N 1 0 385.939 4.300 20 0 GIADRO CCC(C)(C)NC(=O)c1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000063648239 823686551 /nfs/dbraw/zinc/68/65/51/823686551.db2.gz LHFQZKQCKLTELV-NRFANRHFSA-N 1 0 393.531 4.208 20 0 GIADRO CC(=O)c1ccc(Oc2ccc(C(=O)NCCC3CC[NH+](C)CC3)cc2)cc1 ZINC000125574715 823686636 /nfs/dbraw/zinc/68/66/36/823686636.db2.gz HOFBKTZKMPZILO-UHFFFAOYSA-N 1 0 380.488 4.143 20 0 GIADRO C[NH+](C)Cc1ccccc1CNC(=O)CCOc1ccc(Cl)c(Cl)c1 ZINC000063653670 823687109 /nfs/dbraw/zinc/68/71/09/823687109.db2.gz MOEIBYMQHOCLKB-UHFFFAOYSA-N 1 0 381.303 4.140 20 0 GIADRO COc1ccccc1COC1CC[NH+](Cc2ccc(N(C)C(C)C)nc2)CC1 ZINC000191466537 823688284 /nfs/dbraw/zinc/68/82/84/823688284.db2.gz OBKSYXJOLRYOPL-UHFFFAOYSA-N 1 0 383.536 4.116 20 0 GIADRO CCCn1ccnc1CCC[N@H+](C)[C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000191471132 823688738 /nfs/dbraw/zinc/68/87/38/823688738.db2.gz VJDMSXVFPJILDE-DLBZAZTESA-N 1 0 390.959 4.077 20 0 GIADRO CCCn1ccnc1CCC[N@H+](C)[C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000191472821 823688791 /nfs/dbraw/zinc/68/87/91/823688791.db2.gz FSWRMHADZQMWOQ-AWEZNQCLSA-N 1 0 397.350 4.492 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCCN(c2cccc(F)c2)C1)c1ccc(N2CCOC2=O)cc1 ZINC000125599593 823688898 /nfs/dbraw/zinc/68/88/98/823688898.db2.gz OGNYZZGVZFLTSF-APWZRJJASA-N 1 0 383.467 4.102 20 0 GIADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)C1 ZINC000063693457 823689688 /nfs/dbraw/zinc/68/96/88/823689688.db2.gz YOWDIIHPDHFTBH-VQTJNVASSA-N 1 0 380.532 4.358 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000063705424 823690081 /nfs/dbraw/zinc/69/00/81/823690081.db2.gz IOHFDRZMUFBCPX-UHFFFAOYSA-N 1 0 386.364 4.188 20 0 GIADRO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H](C)Cc1ccc(Br)cc1 ZINC000125616997 823690448 /nfs/dbraw/zinc/69/04/48/823690448.db2.gz KUEGQZMYXFDMBJ-CVEARBPZSA-N 1 0 383.374 4.254 20 0 GIADRO CCCn1ccnc1CCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000191491713 823690719 /nfs/dbraw/zinc/69/07/19/823690719.db2.gz CMIBQKYSZLKMTO-OAHLLOKOSA-N 1 0 396.457 4.204 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(N3C[C@@H](C)O[C@H](C)C3)nc1)CCS2 ZINC000191496187 823691412 /nfs/dbraw/zinc/69/14/12/823691412.db2.gz GGXOGMICNCNVDD-JXXFODFXSA-N 1 0 399.560 4.031 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)c(CC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)s1 ZINC000063723293 823691783 /nfs/dbraw/zinc/69/17/83/823691783.db2.gz HSDMIIBFTQSHOA-UHFFFAOYSA-N 1 0 385.577 4.302 20 0 GIADRO CCC(CC)C(=O)N1CCC([NH2+][C@H]2CCSc3ccc(OC)cc32)CC1 ZINC000191498361 823691801 /nfs/dbraw/zinc/69/18/01/823691801.db2.gz VSXQINYRRPTYIU-IBGZPJMESA-N 1 0 376.566 4.249 20 0 GIADRO COc1cc(C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)ccc1OCCC(C)C ZINC000063726490 823692069 /nfs/dbraw/zinc/69/20/69/823692069.db2.gz LAOIBVLKEVTGAU-UHFFFAOYSA-N 1 0 376.541 4.067 20 0 GIADRO Cc1noc(C)c1C[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000191501552 823692118 /nfs/dbraw/zinc/69/21/18/823692118.db2.gz LAZHPDLUGKJBNX-SFHVURJKSA-N 1 0 379.298 4.311 20 0 GIADRO C[C@H](C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)c1cccc(Br)c1 ZINC000461755979 823692408 /nfs/dbraw/zinc/69/24/08/823692408.db2.gz UWAPVONTRLJGJY-WMLDXEAASA-N 1 0 391.309 4.099 20 0 GIADRO CCCc1cc(NCc2ccc(C[NH+]3CCCCCC3)cc2)n2ncnc2n1 ZINC000063737693 823692843 /nfs/dbraw/zinc/69/28/43/823692843.db2.gz CTVHSPAQYAUBDD-UHFFFAOYSA-N 1 0 378.524 4.065 20 0 GIADRO Cc1nn(C)c(C)c1C[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000191506912 823693041 /nfs/dbraw/zinc/69/30/41/823693041.db2.gz JGHNYIABEYMVLT-IBGZPJMESA-N 1 0 392.341 4.057 20 0 GIADRO COCc1cc([C@H](C)[NH2+]C[C@H](O)c2ccc(OC(F)(F)F)cc2)ccc1OC ZINC000125648300 823693169 /nfs/dbraw/zinc/69/31/69/823693169.db2.gz QJOCQJMHUFDTIS-UGSOOPFHSA-N 1 0 399.409 4.124 20 0 GIADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2cc(-c3ccc(Cl)s3)on2)C1 ZINC000063758289 823693790 /nfs/dbraw/zinc/69/37/90/823693790.db2.gz YEYOLUXMIQQAJF-CYBMUJFWSA-N 1 0 381.929 4.298 20 0 GIADRO O=C1Nc2ccccc2C12CCC([NH2+][C@@H]1CCCN(c3cccc(F)c3)C1)CC2 ZINC000125662775 823694635 /nfs/dbraw/zinc/69/46/35/823694635.db2.gz PWFGDURCQAQHKI-IQJRZOLZSA-N 1 0 393.506 4.217 20 0 GIADRO Cc1noc(C)c1COc1ccccc1C(=O)N(C)CC[N@H+](C)C1CCCCC1 ZINC000063771564 823694726 /nfs/dbraw/zinc/69/47/26/823694726.db2.gz PTKNDAYZLKGIJL-UHFFFAOYSA-N 1 0 399.535 4.207 20 0 GIADRO COc1cc(Br)c(C[NH2+]CCCOc2ccc(F)cc2)cc1OC ZINC000063776244 823695059 /nfs/dbraw/zinc/69/50/59/823695059.db2.gz AMFMGLCTRWCXOB-UHFFFAOYSA-N 1 0 398.272 4.164 20 0 GIADRO Cc1cccc(NC2CC[NH+](C[C@H](O)COCc3ccccc3Cl)CC2)c1 ZINC000125670397 823695265 /nfs/dbraw/zinc/69/52/65/823695265.db2.gz NGTUVZAJVPBLRU-NRFANRHFSA-N 1 0 388.939 4.102 20 0 GIADRO COC[C@H]([NH2+]CC1(c2cc(C(F)(F)F)ccc2Cl)CC1)C1CCOCC1 ZINC000191524694 823695382 /nfs/dbraw/zinc/69/53/82/823695382.db2.gz SMDKKBWHXOWQIN-KRWDZBQOSA-N 1 0 391.861 4.422 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(C)nc2-n2cc(Cl)cn2)c(OC)c1 ZINC000191526676 823695590 /nfs/dbraw/zinc/69/55/90/823695590.db2.gz ZHZKIDMMAUFPHA-CQSZACIVSA-N 1 0 386.883 4.097 20 0 GIADRO CCCC[N@H+](C)C[C@H](C)NC(=O)N1CC=C(c2c[nH]c3ccc(OC)cc32)CC1 ZINC000461790971 823695728 /nfs/dbraw/zinc/69/57/28/823695728.db2.gz LDJSXIRZSUPLKJ-KRWDZBQOSA-N 1 0 398.551 4.096 20 0 GIADRO OCC[C@@]1(C[NH2+][C@@H](CCSc2ccccc2)c2ccc(F)cc2)CCOC1 ZINC000125688882 823696930 /nfs/dbraw/zinc/69/69/30/823696930.db2.gz DICUSLRIKVHKRE-VXKWHMMOSA-N 1 0 389.536 4.428 20 0 GIADRO Cc1ccc(NC(=S)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)cc1F ZINC000063793820 823697062 /nfs/dbraw/zinc/69/70/62/823697062.db2.gz CBNPVGCEEUYDRT-UHFFFAOYSA-N 1 0 398.551 4.475 20 0 GIADRO CCn1c(Cc2ccccc2)nnc1S[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000412982518 823697114 /nfs/dbraw/zinc/69/71/14/823697114.db2.gz KOONZZXYXSJKKQ-HXUWFJFHSA-N 1 0 378.545 4.255 20 0 GIADRO Cc1ccc(NC(=S)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)cc1 ZINC000063793847 823697134 /nfs/dbraw/zinc/69/71/34/823697134.db2.gz JVSLMMYSESXDIG-UHFFFAOYSA-N 1 0 380.561 4.336 20 0 GIADRO CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCC(c2nc3cccc(C)c3o2)CC1 ZINC000461800154 823697190 /nfs/dbraw/zinc/69/71/90/823697190.db2.gz HOPZHEHJEMAAKZ-KRWDZBQOSA-N 1 0 386.540 4.146 20 0 GIADRO CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCC(Oc2ccccc2Cl)CC1 ZINC000461800398 823697353 /nfs/dbraw/zinc/69/73/53/823697353.db2.gz HUWWSYNKTVFVJC-INIZCTEOSA-N 1 0 381.948 4.013 20 0 GIADRO Cc1cccc(C[NH2+][C@H]2CCN(Cc3ccccn3)C[C@@H]2C)c1Br ZINC000191537559 823697398 /nfs/dbraw/zinc/69/73/98/823697398.db2.gz CWKDSCYTZRGHKX-LPHOPBHVSA-N 1 0 388.353 4.153 20 0 GIADRO Brc1cccc([C@@H]([NH2+]CC[C@@H]2CCCCO2)C2CCOCC2)c1 ZINC000191547086 823698268 /nfs/dbraw/zinc/69/82/68/823698268.db2.gz STWCEJGBKSLETB-OALUTQOASA-N 1 0 382.342 4.466 20 0 GIADRO Cc1c([C@@H](C)[NH2+][C@@H]2CCN(CC(F)(F)F)C2)cnn1-c1cccc(Cl)c1 ZINC000125711782 823699082 /nfs/dbraw/zinc/69/90/82/823699082.db2.gz BSPNRVNUNXGIGB-IUODEOHRSA-N 1 0 386.849 4.121 20 0 GIADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)c1csc(-c2ccccc2F)n1 ZINC000063826575 823699865 /nfs/dbraw/zinc/69/98/65/823699865.db2.gz FCSGBSQPNVGJMB-UHFFFAOYSA-N 1 0 397.519 4.196 20 0 GIADRO CCOC(=O)c1csc(CC[NH2+][C@H](C)c2ccc(Br)s2)n1 ZINC000191564258 823700291 /nfs/dbraw/zinc/70/02/91/823700291.db2.gz WAHBDGQLHBMSEY-SECBINFHSA-N 1 0 389.340 4.037 20 0 GIADRO Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000063835789 823700454 /nfs/dbraw/zinc/70/04/54/823700454.db2.gz BSHCWQOXBFYLGU-AWEZNQCLSA-N 1 0 377.941 4.232 20 0 GIADRO Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000163307048 823700713 /nfs/dbraw/zinc/70/07/13/823700713.db2.gz MWQIYKQPTYTWQP-INIZCTEOSA-N 1 0 393.597 4.139 20 0 GIADRO O=C1CC2(CN1)CC[NH+](Cc1ccccc1Oc1ccc(F)cc1Cl)CC2 ZINC000461816150 823700992 /nfs/dbraw/zinc/70/09/92/823700992.db2.gz CHAJOFGPZVDCDL-UHFFFAOYSA-N 1 0 388.870 4.374 20 0 GIADRO CCc1noc(C2CCC([NH2+][C@@H](C)c3nc(-c4cccc(OC)c4)no3)CC2)n1 ZINC000191566630 823701080 /nfs/dbraw/zinc/70/10/80/823701080.db2.gz FIXACFCHVHKAJG-HLIUYOAVSA-N 1 0 397.479 4.068 20 0 GIADRO COc1ccc(F)cc1[C@H](C)[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000163323357 823701511 /nfs/dbraw/zinc/70/15/11/823701511.db2.gz KPCWNMAFNLUCGV-AWEZNQCLSA-N 1 0 390.886 4.443 20 0 GIADRO CC(C)(C)c1ccncc1CNC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000413055977 823702018 /nfs/dbraw/zinc/70/20/18/823702018.db2.gz UUDNCPCXVPMMDQ-GOSISDBHSA-N 1 0 386.565 4.077 20 0 GIADRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(SCc3csc(C)n3)cc2)C1 ZINC000063852744 823702327 /nfs/dbraw/zinc/70/23/27/823702327.db2.gz BQKWUMJDUPYCAP-INIZCTEOSA-N 1 0 389.590 4.206 20 0 GIADRO CCOC(=O)c1csc(C2CC[NH+](CCSc3ccccc3)CC2)n1 ZINC000191575732 823702899 /nfs/dbraw/zinc/70/28/99/823702899.db2.gz BXFAWCBNGXZSHL-UHFFFAOYSA-N 1 0 376.547 4.292 20 0 GIADRO CCC(C)(C)NC(=O)c1ccc(NC(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000125742577 823702995 /nfs/dbraw/zinc/70/29/95/823702995.db2.gz LFYJGJWPFRJYSM-HXUWFJFHSA-N 1 0 396.535 4.029 20 0 GIADRO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)c1cc(-c2ccc(Cl)cc2)c[nH]1 ZINC000574331509 823703687 /nfs/dbraw/zinc/70/36/87/823703687.db2.gz UUVVDIQPXGBESR-UHFFFAOYSA-N 1 0 396.922 4.324 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CCCO[C@@H](C)c2ccccc2)cc1 ZINC000163381258 823705302 /nfs/dbraw/zinc/70/53/02/823705302.db2.gz DFTLXTMVXQIEJB-ROUUACIJSA-N 1 0 390.549 4.267 20 0 GIADRO C[C@@H](OCCC[NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1)c1ccccc1 ZINC000163382701 823705349 /nfs/dbraw/zinc/70/53/49/823705349.db2.gz OPUBAGDZZWYCHQ-HXUWFJFHSA-N 1 0 381.564 4.479 20 0 GIADRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1ncccc1OCC(F)(F)F ZINC000163385964 823705784 /nfs/dbraw/zinc/70/57/84/823705784.db2.gz YSTMYHHCIMNPQZ-UHFFFAOYSA-N 1 0 393.409 4.179 20 0 GIADRO O=C(C[C@@H]1CCC[N@@H+]1C[C@@H]1CN(Cc2ccccc2)CCCO1)c1cccs1 ZINC000574350119 823706586 /nfs/dbraw/zinc/70/65/86/823706586.db2.gz ODONECXTJIPVRG-SFTDATJTSA-N 1 0 398.572 4.076 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1ccc(N2CCc3ccccc3C2)cc1)c1ccccc1 ZINC000063891849 823706556 /nfs/dbraw/zinc/70/65/56/823706556.db2.gz GYRWTOKMFFDNTO-VWLOTQADSA-N 1 0 399.538 4.282 20 0 GIADRO Cc1c([C@@H](C)[NH2+]C2CCN(C(=O)CC(C)C)CC2)cnn1-c1ccc(F)cc1 ZINC000163426533 823708083 /nfs/dbraw/zinc/70/80/83/823708083.db2.gz SOSBCCHTNVRETH-MRXNPFEDSA-N 1 0 386.515 4.008 20 0 GIADRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1ccccc1OC[C@@H]1CCCO1 ZINC000163428967 823708550 /nfs/dbraw/zinc/70/85/50/823708550.db2.gz XBYXAXGFERSWGH-FQEVSTJZSA-N 1 0 394.515 4.401 20 0 GIADRO COC[C@@H]([NH2+]C1CCN(C(=O)CC(C)C)CC1)c1cccc(C(F)(F)F)c1 ZINC000163439067 823709837 /nfs/dbraw/zinc/70/98/37/823709837.db2.gz IMHDAUXESASEAP-GOSISDBHSA-N 1 0 386.458 4.020 20 0 GIADRO Cc1ccc(N2CCC([NH2+][C@H]3CCc4cc(Br)ccc43)CC2)nc1 ZINC000163459431 823711776 /nfs/dbraw/zinc/71/17/76/823711776.db2.gz CQHJJIAAZNJKFB-IBGZPJMESA-N 1 0 386.337 4.398 20 0 GIADRO CC[C@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1ccccc1OC(F)F ZINC000125796091 823712514 /nfs/dbraw/zinc/71/25/14/823712514.db2.gz OZRFGQGTDIROSV-KRWDZBQOSA-N 1 0 383.460 4.074 20 0 GIADRO C[C@@H]([NH2+]C[C@H](O)COCc1ccccc1Cl)c1ccc(OC(F)F)cc1 ZINC000125799826 823713357 /nfs/dbraw/zinc/71/33/57/823713357.db2.gz NVHOPAXMZJBHDF-CJNGLKHVSA-N 1 0 385.838 4.170 20 0 GIADRO CCC1(C[NH+]2CCC(c3noc(-c4ccccc4OC)n3)CC2)CCOCC1 ZINC000574379669 823714009 /nfs/dbraw/zinc/71/40/09/823714009.db2.gz ZSTBYLIJMPKSAL-UHFFFAOYSA-N 1 0 385.508 4.131 20 0 GIADRO CCCn1nc(C)c(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)c1C ZINC000163480766 823714340 /nfs/dbraw/zinc/71/43/40/823714340.db2.gz JEFXCBGGIFPUDS-KRWDZBQOSA-N 1 0 382.552 4.214 20 0 GIADRO CCCC[N@H+](C)C[C@H](C)NC(=O)Nc1ccc(OCc2ccccn2)c(F)c1 ZINC000574388613 823716661 /nfs/dbraw/zinc/71/66/61/823716661.db2.gz GORYIIIEOJGHQI-INIZCTEOSA-N 1 0 388.487 4.042 20 0 GIADRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CCCOC[C@H]3CCCO3)s2)cc1 ZINC000163518837 823717880 /nfs/dbraw/zinc/71/78/80/823717880.db2.gz CSQJDEKZLAGFKU-HNAYVOBHSA-N 1 0 390.549 4.363 20 0 GIADRO CC[C@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1cccc(Br)c1 ZINC000125816487 823718244 /nfs/dbraw/zinc/71/82/44/823718244.db2.gz RRLHOUYIDWJLMX-SFHVURJKSA-N 1 0 396.350 4.235 20 0 GIADRO C[C@@H]([NH2+]CCN1CCc2ccccc2C1=O)c1nc(-c2ccccc2)cs1 ZINC000191628120 823718175 /nfs/dbraw/zinc/71/81/75/823718175.db2.gz IYKSHXHTGNUWBB-MRXNPFEDSA-N 1 0 377.513 4.159 20 0 GIADRO COc1ccccc1C[NH+]1CCC(c2noc(-c3ccccc3OC)n2)CC1 ZINC000191634412 823720468 /nfs/dbraw/zinc/72/04/68/823720468.db2.gz MADXIGJEIDEDNC-UHFFFAOYSA-N 1 0 379.460 4.133 20 0 GIADRO Clc1cc(Cl)cc(-c2nnc(N3CC[C@@H](C[NH+]4CCCC4)C3)s2)c1 ZINC000574405161 823720821 /nfs/dbraw/zinc/72/08/21/823720821.db2.gz ZGCZZKKBJYLGHC-LBPRGKRZSA-N 1 0 383.348 4.434 20 0 GIADRO c1csc(C2(NCCC[NH2+]C3(c4nccs4)CCCC3)CCCC2)n1 ZINC000163556684 823721466 /nfs/dbraw/zinc/72/14/66/823721466.db2.gz OBMMIRRNFVMYQV-UHFFFAOYSA-N 1 0 376.595 4.408 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1ccc2ccccc2n1 ZINC000191646419 823723217 /nfs/dbraw/zinc/72/32/17/823723217.db2.gz MTECBHBBESRZSF-OYHNWAKOSA-N 1 0 395.453 4.355 20 0 GIADRO COC(=O)[C@H](C)Oc1ccc(C[NH2+]Cc2ccc(C(F)(F)F)cc2C)cc1 ZINC000191670948 823728518 /nfs/dbraw/zinc/72/85/18/823728518.db2.gz VIHPMDOEUBULLF-AWEZNQCLSA-N 1 0 381.394 4.244 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccccc1N1CCCCC1 ZINC000574435198 823728735 /nfs/dbraw/zinc/72/87/35/823728735.db2.gz OHIRBGOOHZTXQA-REWPJTCUSA-N 1 0 391.559 4.317 20 0 GIADRO Cc1[nH+]c2ccc(Br)cc2c(N2CCC(F)(F)[C@@H](CO)C2)c1C ZINC000461868372 823729239 /nfs/dbraw/zinc/72/92/39/823729239.db2.gz SYTNXVNBUZKZQB-GFCCVEGCSA-N 1 0 385.252 4.068 20 0 GIADRO CC[C@@H]([NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1)c1ccncc1 ZINC000163626492 823729299 /nfs/dbraw/zinc/72/92/99/823729299.db2.gz SMJLMUTXCSOIBV-SUMWQHHRSA-N 1 0 376.298 4.302 20 0 GIADRO CC[N@H+](C[C@@H](O)Cn1c2ccccc2c2ccccc21)[C@@H]1CCOC(C)(C)C1 ZINC000574441556 823731371 /nfs/dbraw/zinc/73/13/71/823731371.db2.gz VVAANZACLFCOLQ-RTBURBONSA-N 1 0 380.532 4.435 20 0 GIADRO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000191681459 823731553 /nfs/dbraw/zinc/73/15/53/823731553.db2.gz MDNIYXNGPWXPIN-UHFFFAOYSA-N 1 0 398.457 4.206 20 0 GIADRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccc(-c2noc(CC(C)(C)C)n2)cc1 ZINC000574446276 823732576 /nfs/dbraw/zinc/73/25/76/823732576.db2.gz CLKBHYAROPKZSG-SFHVURJKSA-N 1 0 386.540 4.031 20 0 GIADRO CC(C)([NH2+]C[C@@H](O)COCc1cccs1)c1ccc(OC(F)(F)F)cc1 ZINC000191690479 823735515 /nfs/dbraw/zinc/73/55/15/823735515.db2.gz XVWRXOHCWJXDEJ-CQSZACIVSA-N 1 0 389.439 4.049 20 0 GIADRO CC1(C)Cc2nc(NC(=O)c3cccc(C[NH+]4CCCC4)c3)sc2C(=O)C1 ZINC000064026712 823736228 /nfs/dbraw/zinc/73/62/28/823736228.db2.gz BAPAIEOQWRAIMZ-UHFFFAOYSA-N 1 0 383.517 4.146 20 0 GIADRO CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000125883714 823736547 /nfs/dbraw/zinc/73/65/47/823736547.db2.gz BWTHOXBKRZLDBN-HZMBPMFUSA-N 1 0 382.348 4.386 20 0 GIADRO Fc1ccccc1C[C@@H]([NH2+]CCc1nnc2n1CCCCC2)c1ccccc1 ZINC000191692705 823736579 /nfs/dbraw/zinc/73/65/79/823736579.db2.gz OGLFSVGDLNLHHV-OAQYLSRUSA-N 1 0 378.495 4.260 20 0 GIADRO O=C(Nc1ccccc1OC[C@H]1CCCCO1)c1cccc(C[NH+]2CCCC2)c1 ZINC000064027862 823736992 /nfs/dbraw/zinc/73/69/92/823736992.db2.gz LZCGORUBIYVWQK-OAQYLSRUSA-N 1 0 394.515 4.483 20 0 GIADRO FC(F)(F)c1cnc(N2CC[C@H]([NH2+]C3Cc4ccccc4C3)C2)c(Cl)c1 ZINC000461883695 823737631 /nfs/dbraw/zinc/73/76/31/823737631.db2.gz PBPUVWAXJHEPTN-HNNXBMFYSA-N 1 0 381.829 4.090 20 0 GIADRO CC(C)([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(OC(F)(F)F)cc1 ZINC000191695640 823737908 /nfs/dbraw/zinc/73/79/08/823737908.db2.gz NVJDVQNHZNTSQY-MRXNPFEDSA-N 1 0 384.354 4.052 20 0 GIADRO C[C@H]([NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1)C(=O)N1Cc2ccccc2C1 ZINC000574469682 823738721 /nfs/dbraw/zinc/73/87/21/823738721.db2.gz OXZQQDQOWJAFDV-AWEZNQCLSA-N 1 0 397.931 4.484 20 0 GIADRO CC(=O)c1ccc2c(c1)CN(C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)C2 ZINC000413265134 823741781 /nfs/dbraw/zinc/74/17/81/823741781.db2.gz IUNONFDKSBTBHE-INIZCTEOSA-N 1 0 379.504 4.044 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)c1ccccc1C(F)(F)F ZINC000163724473 823742260 /nfs/dbraw/zinc/74/22/60/823742260.db2.gz KIOBIROZMGBABG-MRXNPFEDSA-N 1 0 378.438 4.388 20 0 GIADRO C[NH+](C)CCCC1CCN(C(=O)NCc2cccc(-c3ccccn3)c2)CC1 ZINC000163741230 823744076 /nfs/dbraw/zinc/74/40/76/823744076.db2.gz OEFLDPIYYFIHII-UHFFFAOYSA-N 1 0 380.536 4.012 20 0 GIADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)Nc1ccccc1CCC(F)(F)F ZINC000125919996 823744644 /nfs/dbraw/zinc/74/46/44/823744644.db2.gz NWYQRRNJZBSVCM-SFHVURJKSA-N 1 0 393.453 4.476 20 0 GIADRO CO[C@](C)(C(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000461901672 823745778 /nfs/dbraw/zinc/74/57/78/823745778.db2.gz VURMDYRITBBHED-VWLOTQADSA-N 1 0 392.543 4.381 20 0 GIADRO Cn1c2ccccc2nc1[C@H](NC[C@@H](O)c1cccc(F)c1)c1ccccc1 ZINC000125926774 823745838 /nfs/dbraw/zinc/74/58/38/823745838.db2.gz YGYVYAWBTLCYGA-FGZHOGPDSA-N 1 0 375.447 4.125 20 0 GIADRO Cn1c2ccccc2nc1[C@H](NC[C@H](O)c1cccc(F)c1)c1ccccc1 ZINC000125926312 823745879 /nfs/dbraw/zinc/74/58/79/823745879.db2.gz YGYVYAWBTLCYGA-FCHUYYIVSA-N 1 0 375.447 4.125 20 0 GIADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2ccc(C3=CCCC3)cc2)cc1 ZINC000574490474 823746444 /nfs/dbraw/zinc/74/64/44/823746444.db2.gz WPWMRMWVUVKPAN-UHFFFAOYSA-N 1 0 377.488 4.396 20 0 GIADRO C[C@@H](O)[C@@](C)(C[NH2+]Cc1cccc(OCc2ccccn2)c1)Cc1ccccc1 ZINC000191721326 823746650 /nfs/dbraw/zinc/74/66/50/823746650.db2.gz ZIYIDESLZORVIB-CJFMBICVSA-N 1 0 390.527 4.380 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(Cl)c2Br)C1 ZINC000191723282 823747088 /nfs/dbraw/zinc/74/70/88/823747088.db2.gz GWEKNKWATZRSGT-GFCCVEGCSA-N 1 0 388.737 4.298 20 0 GIADRO CC[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1)c1ccncc1 ZINC000163771594 823747160 /nfs/dbraw/zinc/74/71/60/823747160.db2.gz HLCOTLYESHDUFG-SUMWQHHRSA-N 1 0 376.298 4.302 20 0 GIADRO Cc1cc2cc([C@H](C)[NH2+]Cc3cccc(OCC(=O)N(C)C)c3)oc2cc1C ZINC000163777585 823747964 /nfs/dbraw/zinc/74/79/64/823747964.db2.gz YFNSQMPZYKIABW-KRWDZBQOSA-N 1 0 380.488 4.367 20 0 GIADRO [NH3+][C@@H]1CCc2ncc(NC(=O)N[C@@H](Cc3ccccc3)c3ccccc3)cc2C1 ZINC000574503058 823750651 /nfs/dbraw/zinc/75/06/51/823750651.db2.gz UFTJEBRUYFQHGD-OFNKIYASSA-N 1 0 386.499 4.003 20 0 GIADRO COc1cc(F)c(C(=O)Nc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)cc1OC ZINC000163814214 823751651 /nfs/dbraw/zinc/75/16/51/823751651.db2.gz ZIUHROKPGMYHCU-OAHLLOKOSA-N 1 0 386.467 4.470 20 0 GIADRO O=C1CCCN1CCC[NH+]1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000064139790 823753423 /nfs/dbraw/zinc/75/34/23/823753423.db2.gz YBTRZYITEPAKFK-UHFFFAOYSA-N 1 0 377.941 4.142 20 0 GIADRO O=S(=O)(CCC[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1)c1ccc(F)cc1 ZINC000064140402 823753556 /nfs/dbraw/zinc/75/35/56/823753556.db2.gz UPFUSTLLSHMYGH-LJQANCHMSA-N 1 0 381.900 4.384 20 0 GIADRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N(Cc1cccs1)Cc1cccs1 ZINC000125960708 823753958 /nfs/dbraw/zinc/75/39/58/823753958.db2.gz JJZNLKIRIZZZGG-INIZCTEOSA-N 1 0 375.563 4.006 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1cccc(-c2ccncc2)c1 ZINC000163855741 823754639 /nfs/dbraw/zinc/75/46/39/823754639.db2.gz MEWJTAYBRMNAMA-SFHVURJKSA-N 1 0 389.499 4.066 20 0 GIADRO CC(C)[C@@H](C(=O)N(C)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)[C@@H](C)[NH3+] ZINC000574521596 823754704 /nfs/dbraw/zinc/75/47/04/823754704.db2.gz FJXILVDNEXMIEI-FZKQIMNGSA-N 1 0 395.425 4.475 20 0 GIADRO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)c1ccccc1CCC(F)(F)F ZINC000574526171 823755124 /nfs/dbraw/zinc/75/51/24/823755124.db2.gz ZXROYQZEPSMRIP-UHFFFAOYSA-N 1 0 393.453 4.171 20 0 GIADRO CCCN(C(=O)c1ccc2cnccc2n1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000413337182 823755757 /nfs/dbraw/zinc/75/57/57/823755757.db2.gz VVZSKJIVFDLYLX-OAQYLSRUSA-N 1 0 388.515 4.147 20 0 GIADRO COc1ccc(C[N@@H+](Cc2c[nH]nc2-c2cccnc2)CC2CCC2)c(OC)c1 ZINC000574534892 823757344 /nfs/dbraw/zinc/75/73/44/823757344.db2.gz CZXJOCLTFSFPNX-UHFFFAOYSA-N 1 0 392.503 4.291 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@@H](C)C(C)(C)c2ccccc2)ccc1S(C)(=O)=O ZINC000163893880 823757948 /nfs/dbraw/zinc/75/79/48/823757948.db2.gz MYHMLWZGJGSJPT-HOTGVXAUSA-N 1 0 375.534 4.116 20 0 GIADRO O=C(NC1CC[NH+](C2CCCC2)CC1)N1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000413355765 823758819 /nfs/dbraw/zinc/75/88/19/823758819.db2.gz SNNYCONZAHKLQI-QFIPXVFZSA-N 1 0 381.564 4.373 20 0 GIADRO COc1ccc(C[N@H+](C)Cc2ccc(O)c(OC)c2)cc1OCc1cccnc1 ZINC000125983600 823759381 /nfs/dbraw/zinc/75/93/81/823759381.db2.gz OWOXQASQCCJDBH-UHFFFAOYSA-N 1 0 394.471 4.015 20 0 GIADRO Cc1ncc([C@H](C)[NH2+]Cc2ccc(C(=O)Nc3ccc(F)cc3)cc2)c(C)n1 ZINC000125985675 823760034 /nfs/dbraw/zinc/76/00/34/823760034.db2.gz QMSGYJCKJIVQCV-AWEZNQCLSA-N 1 0 378.451 4.336 20 0 GIADRO O=C(Nc1cc(F)ccc1OCC1CC1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000191766021 823760526 /nfs/dbraw/zinc/76/05/26/823760526.db2.gz AMTSJEQPGJLNFS-UZLBHIALSA-N 1 0 387.499 4.095 20 0 GIADRO O=C1[C@@H]([NH2+]Cc2ccc(SC(F)F)cc2)CCN1Cc1ccc(F)cc1 ZINC000191764506 823760607 /nfs/dbraw/zinc/76/06/07/823760607.db2.gz GNZCUFVJMNDQKJ-KRWDZBQOSA-N 1 0 380.435 4.031 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)CSCc3cscn3)cc2)C1 ZINC000125994438 823762291 /nfs/dbraw/zinc/76/22/91/823762291.db2.gz BSOBQBSXCZVRBN-OAHLLOKOSA-N 1 0 375.563 4.247 20 0 GIADRO CCCOc1cccc(NC(=O)C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000125995247 823762387 /nfs/dbraw/zinc/76/23/87/823762387.db2.gz NPXUDDOKOPLQSV-UHFFFAOYSA-N 1 0 395.503 4.039 20 0 GIADRO Cc1nc(C(F)(F)F)sc1C(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000461931170 823762666 /nfs/dbraw/zinc/76/26/66/823762666.db2.gz LTTNMVXSQZHYBN-OCCSQVGLSA-N 1 0 383.439 4.036 20 0 GIADRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CCCNc3ncccn3)s2)cc1 ZINC000163946147 823763731 /nfs/dbraw/zinc/76/37/31/823763731.db2.gz SIXRQVXSGYCOHL-AWEZNQCLSA-N 1 0 383.521 4.070 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)[C@](C)(OC)C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000461939491 823766111 /nfs/dbraw/zinc/76/61/11/823766111.db2.gz XHDMVOQEQIBDNF-IEBWSBKVSA-N 1 0 386.458 4.020 20 0 GIADRO COc1ccc(F)c(C(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)c1OC ZINC000191794580 823770465 /nfs/dbraw/zinc/77/04/65/823770465.db2.gz HAEPVHQMCBHEAB-UHFFFAOYSA-N 1 0 386.467 4.471 20 0 GIADRO CC[C@@H](CO)[NH+]1CCN(C(=O)Nc2ccc(Sc3ccccc3)cc2C)CC1 ZINC000126034236 823771260 /nfs/dbraw/zinc/77/12/60/823771260.db2.gz MJJVUTLUQDHFCT-SFHVURJKSA-N 1 0 399.560 4.067 20 0 GIADRO Cc1ccc(-c2ccc(C)c(NC(=O)N3CCC[C@@H]([NH+]4CCOCC4)CC3)c2)o1 ZINC000574581225 823771314 /nfs/dbraw/zinc/77/13/14/823771314.db2.gz DVGKSRDRRGRXKL-HXUWFJFHSA-N 1 0 397.519 4.282 20 0 GIADRO CCN1CCC([NH+]2CCC(C(=O)N(C)[C@@H](C)c3cc4ccccc4o3)CC2)CC1 ZINC000574581139 823771496 /nfs/dbraw/zinc/77/14/96/823771496.db2.gz BBWFHTZTSIXALF-SFHVURJKSA-N 1 0 397.563 4.149 20 0 GIADRO Cc1csc(N2CCC([NH2+][C@H](C)c3cnn(-c4ccc(F)cc4)c3C)CC2)n1 ZINC000164039389 823772650 /nfs/dbraw/zinc/77/26/50/823772650.db2.gz GBKLAYYMAUEEEQ-OAHLLOKOSA-N 1 0 399.539 4.404 20 0 GIADRO Cc1ccc(NC(=O)Cc2cccc(Br)c2C)c(C[NH+](C)C)c1 ZINC000191802676 823773358 /nfs/dbraw/zinc/77/33/58/823773358.db2.gz WXCJLVOIYABGHA-UHFFFAOYSA-N 1 0 375.310 4.309 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)N2CCC(Cc3cccc(F)c3)CC2)c1 ZINC000064229328 823775714 /nfs/dbraw/zinc/77/57/14/823775714.db2.gz CFROFLAZTOFJJY-UHFFFAOYSA-N 1 0 397.538 4.442 20 0 GIADRO CCN(Cc1occc1C)C(=O)N[C@@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000413429057 823776224 /nfs/dbraw/zinc/77/62/24/823776224.db2.gz AUEZXCPGYRCVLI-IFMALSPDSA-N 1 0 397.519 4.106 20 0 GIADRO COc1cc(Cl)c(F)c(C(=O)Nc2cccc(OCCC[NH+](C)C)c2)c1 ZINC000413428616 823776367 /nfs/dbraw/zinc/77/63/67/823776367.db2.gz QJOMDKIQARSXDI-UHFFFAOYSA-N 1 0 380.847 4.071 20 0 GIADRO Cc1noc(C)c1-c1nc(C)c(C(=O)N(C)CC[N@H+](C)C2CCCCC2)s1 ZINC000574599092 823776409 /nfs/dbraw/zinc/77/64/09/823776409.db2.gz HWAYZZHLJBQVJS-UHFFFAOYSA-N 1 0 390.553 4.060 20 0 GIADRO COc1ccc(CN(C)C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1Cl ZINC000413434312 823777286 /nfs/dbraw/zinc/77/72/86/823777286.db2.gz DKTULEXOBWOJLY-NVXWUHKLSA-N 1 0 393.959 4.143 20 0 GIADRO C[C@H](NC(=O)NCc1cnccc1C(C)(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000413440200 823778328 /nfs/dbraw/zinc/77/83/28/823778328.db2.gz RWSFLQOLEQOVCW-AZUAARDMSA-N 1 0 394.563 4.089 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N(Cc1ccccc1)CC1CCC1 ZINC000064240435 823778589 /nfs/dbraw/zinc/77/85/89/823778589.db2.gz YKWDWZCNMSEPFM-NRFANRHFSA-N 1 0 381.520 4.428 20 0 GIADRO C[C@H](NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000164132174 823780167 /nfs/dbraw/zinc/78/01/67/823780167.db2.gz BTAZORQYAMKKPA-OWCLPIDISA-N 1 0 385.474 4.181 20 0 GIADRO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3cccc(OCc4cccc(F)c4)c3)CC[C@@H]21 ZINC000164145933 823781239 /nfs/dbraw/zinc/78/12/39/823781239.db2.gz CFCHMABKIRQVKV-AVRDEDQJSA-N 1 0 397.494 4.353 20 0 GIADRO CC(C)[NH2+]C1CCN(C(=O)N[C@@H](C)[C@H](C)c2ccccc2C(F)(F)F)CC1 ZINC000164147659 823781492 /nfs/dbraw/zinc/78/14/92/823781492.db2.gz AQJBYXWNPUERSK-GJZGRUSLSA-N 1 0 385.474 4.369 20 0 GIADRO CC(=O)c1ccc2c(c1)CN(C(=O)N[C@H](C[N@H+](C)Cc1ccccc1)C(C)C)C2 ZINC000413457376 823781802 /nfs/dbraw/zinc/78/18/02/823781802.db2.gz OGDYARVLHYKELW-HSZRJFAPSA-N 1 0 393.531 4.071 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(Cc3ccccn3)ccc2C)C[C@@H]1C ZINC000574620480 823783590 /nfs/dbraw/zinc/78/35/90/823783590.db2.gz ORQAZXALHSPQJK-GHTZIAJQSA-N 1 0 380.536 4.317 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@H](c1cccnc1)C(C)C ZINC000164177678 823783584 /nfs/dbraw/zinc/78/35/84/823783584.db2.gz DGDZXORFDBPXAC-QAPCUYQASA-N 1 0 389.927 4.490 20 0 GIADRO Cc1cc([C@@](C)(O)C[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)c(C)o1 ZINC000164178990 823784479 /nfs/dbraw/zinc/78/44/79/823784479.db2.gz AEFNJWXBJHZBCO-NRFANRHFSA-N 1 0 394.918 4.151 20 0 GIADRO O=C(CCc1ccccc1)N1CC[C@H]([NH2+]C2CC(c3cc(F)cc(F)c3)C2)C1 ZINC000574627353 823784959 /nfs/dbraw/zinc/78/49/59/823784959.db2.gz RFSVZLZNUQQLDZ-QUENFVSXSA-N 1 0 384.470 4.034 20 0 GIADRO O[C@H](C[NH2+]C[C@H]1CCOC2(CCC2)C1)COc1ccc(Oc2ccccc2)cc1 ZINC000574631241 823786156 /nfs/dbraw/zinc/78/61/56/823786156.db2.gz IDHXTYGNEXRXEY-VQTJNVASSA-N 1 0 397.515 4.158 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc(NS(C)(=O)=O)c2)cc1Cl ZINC000164239843 823788879 /nfs/dbraw/zinc/78/88/79/823788879.db2.gz UDPDIYHMCXYHEE-CHWSQXEVSA-N 1 0 382.913 4.132 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)CC1 ZINC000064310183 823788869 /nfs/dbraw/zinc/78/88/69/823788869.db2.gz IGLQJZAQOHNCKA-UHFFFAOYSA-N 1 0 397.494 4.024 20 0 GIADRO CC(=O)CC(C)(C)CC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000191833883 823790255 /nfs/dbraw/zinc/79/02/55/823790255.db2.gz HUZNUPSOSQPVOO-UHFFFAOYSA-N 1 0 378.944 4.064 20 0 GIADRO CC1(C)CCCC[C@H]1[NH2+]Cc1cccnc1Oc1cccc(S(C)(=O)=O)c1 ZINC000164263040 823791054 /nfs/dbraw/zinc/79/10/54/823791054.db2.gz DPJCGAZHSADOAF-LJQANCHMSA-N 1 0 388.533 4.336 20 0 GIADRO COC(=O)[C@H]1CC[N@H+](Cc2cc(-c3c(OC)ccc4ccccc43)no2)C[C@@H]1C ZINC000191836260 823791408 /nfs/dbraw/zinc/79/14/08/823791408.db2.gz ADKIBPWCLNCKOV-YJBOKZPZSA-N 1 0 394.471 4.134 20 0 GIADRO CSCC[C@@H]([NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1)c1nnc2ccccn21 ZINC000164281283 823792665 /nfs/dbraw/zinc/79/26/65/823792665.db2.gz CKMUNOZSSCMNJM-QFBILLFUSA-N 1 0 392.532 4.060 20 0 GIADRO FC(F)(F)COc1ccc(CC[NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)cn1 ZINC000574659756 823793390 /nfs/dbraw/zinc/79/33/90/823793390.db2.gz SINIMZFSQDYYNZ-QGZVFWFLSA-N 1 0 382.430 4.200 20 0 GIADRO Cc1ccc(-n2cccn2)cc1NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000191842574 823793863 /nfs/dbraw/zinc/79/38/63/823793863.db2.gz FSAQXKHCOOSNSP-UHFFFAOYSA-N 1 0 388.515 4.422 20 0 GIADRO CCN(C(=O)c1ccc(Nc2cc[nH+]cc2)cc1)[C@H](C)Cc1ccc(OC)cc1 ZINC000462013877 823794602 /nfs/dbraw/zinc/79/46/02/823794602.db2.gz GMUUDJNWOSEJKL-GOSISDBHSA-N 1 0 389.499 4.349 20 0 GIADRO Cc1nc(C(F)(F)F)sc1C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000462017061 823795603 /nfs/dbraw/zinc/79/56/03/823795603.db2.gz TYLAHUXVISNQEG-NSHDSACASA-N 1 0 385.455 4.330 20 0 GIADRO C[C@@H]([NH2+][C@H]1COc2ccccc2C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000164341071 823796622 /nfs/dbraw/zinc/79/66/22/823796622.db2.gz DDOMZMJQGDUXHK-VQIMIIECSA-N 1 0 385.529 4.057 20 0 GIADRO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1F ZINC000164348143 823797303 /nfs/dbraw/zinc/79/73/03/823797303.db2.gz FQTCABUVDBWKJL-FUHWJXTLSA-N 1 0 399.514 4.047 20 0 GIADRO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1c(F)cc(C(F)(F)F)cc1F ZINC000574679459 823798821 /nfs/dbraw/zinc/79/88/21/823798821.db2.gz PAUCRTQDVFUFON-HNNXBMFYSA-N 1 0 398.375 4.378 20 0 GIADRO C[C@H]([NH2+]C[C@@]1(CO)C[C@H]1c1ccccc1)c1ccc(Br)c(F)c1 ZINC000574680228 823799188 /nfs/dbraw/zinc/79/91/88/823799188.db2.gz ZBLDRKYPJUSNJQ-IYJAJMOOSA-N 1 0 378.285 4.405 20 0 GIADRO CSC1(CNC(=O)N(C)[C@H]2CCCC[C@@H]2c2ccccc2)CC[NH+](C)CC1 ZINC000413578914 823800116 /nfs/dbraw/zinc/80/01/16/823800116.db2.gz KEYUNTMUGUABFS-UXHICEINSA-N 1 0 389.609 4.182 20 0 GIADRO [NH3+]Cc1ccc(CNC(=O)N2CCC[C@@H]2c2ccc(Br)s2)cc1 ZINC000574689549 823801889 /nfs/dbraw/zinc/80/18/89/823801889.db2.gz LTPIHHZGBNJNJM-CQSZACIVSA-N 1 0 394.338 4.016 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1ccc(Cl)nc1Cl ZINC000064370487 823802156 /nfs/dbraw/zinc/80/21/56/823802156.db2.gz YQLPILQAIQVGFO-UHFFFAOYSA-N 1 0 382.291 4.361 20 0 GIADRO COc1cc(OC)c(C[NH2+][C@@H](C)c2ccc(-n3ccnc3C)cc2)c(OC)c1 ZINC000164418175 823802224 /nfs/dbraw/zinc/80/22/24/823802224.db2.gz GPRVFDKZAYLFRF-HNNXBMFYSA-N 1 0 381.476 4.057 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=S)NCc1ccccc1 ZINC000064371360 823802524 /nfs/dbraw/zinc/80/25/24/823802524.db2.gz FVTMZOUKESOZGN-UHFFFAOYSA-N 1 0 395.494 4.144 20 0 GIADRO CCCC[N@H+](CC)Cc1cccc(CNC(=O)c2cn(C)nc2C2CCC2)c1 ZINC000413611498 823803347 /nfs/dbraw/zinc/80/33/47/823803347.db2.gz DPCPHHDUBMJAOQ-UHFFFAOYSA-N 1 0 382.552 4.240 20 0 GIADRO CC[C@H]([NH2+]C[C@H](O)Cc1cccc(Cl)c1)c1nc(C(F)(F)F)cs1 ZINC000574700020 823804029 /nfs/dbraw/zinc/80/40/29/823804029.db2.gz VHLCPTJDJXCVPG-OLZOCXBDSA-N 1 0 378.847 4.460 20 0 GIADRO COc1cc(CNc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)cc(OC)c1 ZINC000126172372 823804930 /nfs/dbraw/zinc/80/49/30/823804930.db2.gz SKKJSHDVBRCXDW-UHFFFAOYSA-N 1 0 397.519 4.130 20 0 GIADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H](c2cccc(F)c2)c2ccccn2)C1 ZINC000126171485 823805145 /nfs/dbraw/zinc/80/51/45/823805145.db2.gz JOSKRUWPYIJBQV-UWJYYQICSA-N 1 0 398.526 4.120 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000064383234 823805980 /nfs/dbraw/zinc/80/59/80/823805980.db2.gz JLAGILSOYPCMAB-VQTJNVASSA-N 1 0 383.923 4.142 20 0 GIADRO C[C@H](C(=O)Nc1ccc(CC[NH+](C)C)cc1)c1cccc(Br)c1 ZINC000462036698 823806056 /nfs/dbraw/zinc/80/60/56/823806056.db2.gz GQKBZINYMCEHEH-AWEZNQCLSA-N 1 0 375.310 4.295 20 0 GIADRO CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000164516805 823806429 /nfs/dbraw/zinc/80/64/29/823806429.db2.gz ZZWOWJWWXRCGNC-SJORKVTESA-N 1 0 389.540 4.126 20 0 GIADRO O=C(CC[NH+]1CCCCC1)Nc1ccc(NCc2csc(C3CC3)n2)cc1 ZINC000126180998 823806597 /nfs/dbraw/zinc/80/65/97/823806597.db2.gz PVRRRLUCVSMQEB-UHFFFAOYSA-N 1 0 384.549 4.447 20 0 GIADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@H](C)c1nc(C(C)(C)C)cs1 ZINC000574717216 823807842 /nfs/dbraw/zinc/80/78/42/823807842.db2.gz BNPNHCSKXRKPEY-HZPDHXFCSA-N 1 0 388.581 4.321 20 0 GIADRO CC[C@@H](NC(=O)N(Cc1ccncc1)C[C@@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000413646371 823809297 /nfs/dbraw/zinc/80/92/97/823809297.db2.gz FXHWLIGZQLHHJG-FCHUYYIVSA-N 1 0 380.536 4.229 20 0 GIADRO COC(=O)C[C@@](C)([NH2+]Cc1ccc(OCc2ccccc2)cc1)c1ccncc1 ZINC000191906055 823809385 /nfs/dbraw/zinc/80/93/85/823809385.db2.gz OBNXORUMGPQLCM-XMMPIXPASA-N 1 0 390.483 4.229 20 0 GIADRO O=C(N[C@@H](c1c(Cl)cccc1Cl)C1CC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000462044479 823809725 /nfs/dbraw/zinc/80/97/25/823809725.db2.gz APAFPTKDZGLSRJ-KBXCAEBGSA-N 1 0 380.319 4.100 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1cnn(-c2ccccc2Cl)c1 ZINC000064395323 823810315 /nfs/dbraw/zinc/81/03/15/823810315.db2.gz PJDINMOAQSKUNW-UHFFFAOYSA-N 1 0 394.906 4.416 20 0 GIADRO Cc1c2cc(Br)ccc2oc1C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000164605902 823812079 /nfs/dbraw/zinc/81/20/79/823812079.db2.gz COSFEHYTMUSKTE-CZUORRHYSA-N 1 0 391.309 4.060 20 0 GIADRO Cc1ccc([C@H](C[NH2+][C@H](C)c2ccc(Br)s2)N2CCOCC2)o1 ZINC000164625528 823813184 /nfs/dbraw/zinc/81/31/84/823813184.db2.gz BMVMJUAYKCHIEM-KGLIPLIRSA-N 1 0 399.354 4.136 20 0 GIADRO COc1cccc(Cl)c1C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000462053787 823814098 /nfs/dbraw/zinc/81/40/98/823814098.db2.gz USVNPYHYISWSCY-UHFFFAOYSA-N 1 0 393.314 4.396 20 0 GIADRO COc1ccc(CN(C)C(=O)[C@@H](C)[NH2+][C@H](C)c2cccc(Cl)c2)cc1OC ZINC000126220549 823814618 /nfs/dbraw/zinc/81/46/18/823814618.db2.gz LQNDDQVZMXBQQE-HUUCEWRRSA-N 1 0 390.911 4.055 20 0 GIADRO C[C@H](CC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(F)c(Br)c1 ZINC000462055716 823814552 /nfs/dbraw/zinc/81/45/52/823814552.db2.gz QORGDNNIGNQUBZ-HIFRSBDPSA-N 1 0 397.332 4.215 20 0 GIADRO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H](CC(N)=O)c1cccc(Cl)c1)CC3 ZINC000462068090 823818916 /nfs/dbraw/zinc/81/89/16/823818916.db2.gz QFADCTSRLXRTJA-IIBYNOLFSA-N 1 0 381.907 4.193 20 0 GIADRO CC[C@@H]1CN(c2ccccc2)CC[N@@H+]1Cc1ccc(OCc2noc(C)n2)cc1 ZINC000462069654 823819369 /nfs/dbraw/zinc/81/93/69/823819369.db2.gz ANPFUKYWMHGRIL-HXUWFJFHSA-N 1 0 392.503 4.058 20 0 GIADRO CCCc1c(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cnn1-c1ccc(F)cc1 ZINC000191950105 823821180 /nfs/dbraw/zinc/82/11/80/823821180.db2.gz KLPDMPNBCQDFLP-LJQANCHMSA-N 1 0 399.514 4.056 20 0 GIADRO O=C(c1cccc(C[NH+]2CCCCC2)c1)N1CCSC[C@@H]1c1nccs1 ZINC000413711721 823823501 /nfs/dbraw/zinc/82/35/01/823823501.db2.gz JZOKKWUTGXPEFE-GOSISDBHSA-N 1 0 387.574 4.059 20 0 GIADRO COc1cccc(CN(CC[NH+](C)C)C(=O)[C@@H](C)c2ccc(Cl)s2)c1 ZINC000191956946 823824145 /nfs/dbraw/zinc/82/41/45/823824145.db2.gz WFXHCBWNXVBNIY-AWEZNQCLSA-N 1 0 380.941 4.104 20 0 GIADRO C[C@H]1C[NH+](Cc2ccc(CNc3ccc4ccc(F)cc4n3)cc2)C[C@H](C)O1 ZINC000462088574 823824559 /nfs/dbraw/zinc/82/45/59/823824559.db2.gz NXNAUHGSOFIGRA-IRXDYDNUSA-N 1 0 379.479 4.017 20 0 GIADRO C[C@@H]1C[NH+](Cc2ccc(CNc3ccc4ccc(F)cc4n3)cc2)C[C@@H](C)O1 ZINC000462088573 823824590 /nfs/dbraw/zinc/82/45/90/823824590.db2.gz NXNAUHGSOFIGRA-IAGOWNOFSA-N 1 0 379.479 4.017 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000064470552 823825021 /nfs/dbraw/zinc/82/50/21/823825021.db2.gz SKTVCFSZJKSNMA-UHFFFAOYSA-N 1 0 398.856 4.492 20 0 GIADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)c1c[nH]nc1-c1ccc(Cl)cc1)c1ccco1 ZINC000574785084 823825837 /nfs/dbraw/zinc/82/58/37/823825837.db2.gz KDMWBBUMUAEPLU-GUYCJALGSA-N 1 0 386.883 4.182 20 0 GIADRO O=C(c1ccc(C[NH+]2CCC(CO)CC2)cc1)N1CCCCC[C@@H]1c1ccco1 ZINC000164961005 823826846 /nfs/dbraw/zinc/82/68/46/823826846.db2.gz PWUCMDXFCQCUQC-JOCHJYFZSA-N 1 0 396.531 4.241 20 0 GIADRO CC[C@H](CNC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)CC(F)(F)F ZINC000413735889 823827978 /nfs/dbraw/zinc/82/79/78/823827978.db2.gz IZUVIEQJKBJLMZ-PXNSSMCTSA-N 1 0 397.485 4.273 20 0 GIADRO O=C(c1ccc(Cl)cc1)N1CCC[N@@H+](Cc2ccc(OC(F)F)cc2)CC1 ZINC000064481378 823828132 /nfs/dbraw/zinc/82/81/32/823828132.db2.gz UWWXDIYCUUEUFQ-UHFFFAOYSA-N 1 0 394.849 4.290 20 0 GIADRO CC[NH+]1CCC(NCc2ccc(Oc3ccccc3C(F)(F)F)nc2)CC1 ZINC000462105251 823829270 /nfs/dbraw/zinc/82/92/70/823829270.db2.gz OKTSRYUVOBBOIW-UHFFFAOYSA-N 1 0 379.426 4.467 20 0 GIADRO CC[C@H]([NH2+]Cc1cccc(C(=O)NCc2ccco2)c1)c1ccc2c(c1)CCO2 ZINC000165005135 823829534 /nfs/dbraw/zinc/82/95/34/823829534.db2.gz DDNABGKKEHXJGB-QFIPXVFZSA-N 1 0 390.483 4.385 20 0 GIADRO c1cc(-c2ccc(C[N@@H+]3CCC[C@H](c4nnc(C5CCCCC5)[nH]4)C3)o2)n[nH]1 ZINC000574797193 823829518 /nfs/dbraw/zinc/82/95/18/823829518.db2.gz SVSXDZTXFINFFC-INIZCTEOSA-N 1 0 380.496 4.215 20 0 GIADRO c1csc(-c2noc(CCC[NH2+][C@@H]3c4ccccc4CC34CCOCC4)n2)c1 ZINC000574798045 823829621 /nfs/dbraw/zinc/82/96/21/823829621.db2.gz BESYXAXCBTWPOZ-HXUWFJFHSA-N 1 0 395.528 4.415 20 0 GIADRO COC(=O)c1cccc(-c2nc(C[NH2+][C@@H]3CCO[C@H]3c3ccccc3)cs2)c1 ZINC000191976082 823829701 /nfs/dbraw/zinc/82/97/01/823829701.db2.gz ROCQLPIYTJJDLP-UXHICEINSA-N 1 0 394.496 4.217 20 0 GIADRO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000165003563 823829698 /nfs/dbraw/zinc/82/96/98/823829698.db2.gz SLLABPTXHMBKDE-QGZVFWFLSA-N 1 0 378.472 4.377 20 0 GIADRO C[C@H](NC(=O)N1CCC([N@@H+]2CCC[C@@H]2C)CC1)c1ccc(OC(F)F)cc1 ZINC000126284567 823829791 /nfs/dbraw/zinc/82/97/91/823829791.db2.gz KQDONDZGIGHWAY-GJZGRUSLSA-N 1 0 381.467 4.007 20 0 GIADRO CCCC[C@@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)NC)c1)c1ccc(OC)cc1 ZINC000165046901 823831722 /nfs/dbraw/zinc/83/17/22/823831722.db2.gz OJUNCDPKBBMCRV-HRAATJIYSA-N 1 0 390.549 4.185 20 0 GIADRO COCC[C@@H]([NH2+]Cc1cccc(C(=O)NCc2ccco2)c1)c1ccc(F)cc1 ZINC000165041322 823831856 /nfs/dbraw/zinc/83/18/56/823831856.db2.gz ZDSUVIDQCCEJPI-JOCHJYFZSA-N 1 0 396.462 4.216 20 0 GIADRO O=C(CC[NH2+][C@@H]1CCOC2(CCCCC2)C1)Nc1cccc(Br)c1 ZINC000574804300 823832143 /nfs/dbraw/zinc/83/21/43/823832143.db2.gz XFGTYROETQLSPR-QGZVFWFLSA-N 1 0 395.341 4.249 20 0 GIADRO Cc1ccc(CN2CCOCC2)cc1NC(=O)c1cccc(OC2CCCC2)c1 ZINC000126295435 823832714 /nfs/dbraw/zinc/83/27/14/823832714.db2.gz WNQWCGBPLORZAA-UHFFFAOYSA-N 1 0 394.515 4.401 20 0 GIADRO Cc1cc(-c2cccc(F)c2)nnc1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000462115577 823832661 /nfs/dbraw/zinc/83/26/61/823832661.db2.gz BVKDRTLAHBXBQG-UHFFFAOYSA-N 1 0 376.479 4.090 20 0 GIADRO Cc1nc(-c2ccc(NC(=O)c3ccc(C[NH+]4CCCC4)cc3)cc2Cl)n[nH]1 ZINC000574825789 823835073 /nfs/dbraw/zinc/83/50/73/823835073.db2.gz HTTJRAQMXLJJAV-UHFFFAOYSA-N 1 0 395.894 4.282 20 0 GIADRO Cc1cc(OCC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)ccc1Cl ZINC000064522299 823835968 /nfs/dbraw/zinc/83/59/68/823835968.db2.gz BMNUNPITWBBZCN-MRXNPFEDSA-N 1 0 392.952 4.117 20 0 GIADRO COc1ccc(C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)cc1OC1CCCC1 ZINC000165154499 823836444 /nfs/dbraw/zinc/83/64/44/823836444.db2.gz WTDTWUWUFIGDNR-KRWDZBQOSA-N 1 0 392.503 4.448 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)C(=O)Nc1cccc2ncccc21 ZINC000192026528 823836506 /nfs/dbraw/zinc/83/65/06/823836506.db2.gz MVMVCTNJZVDEGJ-LVXYXVKQSA-N 1 0 395.890 4.335 20 0 GIADRO C[C@@H]1[C@@H](NC(=O)Nc2ccc3oc(C4CC4)nc3c2)CC[N@@H+]1Cc1ccccc1 ZINC000574835820 823838242 /nfs/dbraw/zinc/83/82/42/823838242.db2.gz NAWJBYIPPYYKKU-BEFAXECRSA-N 1 0 390.487 4.490 20 0 GIADRO CSCC[C@H](C)[N@H+](C)Cc1nc(-c2cc(Br)cs2)no1 ZINC000126317494 823838388 /nfs/dbraw/zinc/83/83/88/823838388.db2.gz HWDNOCJCZLWIMN-VIFPVBQESA-N 1 0 376.345 4.134 20 0 GIADRO COc1cccc(C[NH2+]C2CCN(CC(F)(F)F)CC2)c1OC1CCCC1 ZINC000165196377 823839524 /nfs/dbraw/zinc/83/95/24/823839524.db2.gz GEWMMPHMLKIFIX-UHFFFAOYSA-N 1 0 386.458 4.133 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]CCc2c[nH]c3cccc(C)c23)c1 ZINC000165215403 823839970 /nfs/dbraw/zinc/83/99/70/823839970.db2.gz QTGQMPAPGXTQDN-INIZCTEOSA-N 1 0 395.503 4.043 20 0 GIADRO NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+]CCCCc1ccc(Cl)s1)CCC2 ZINC000574847462 823841317 /nfs/dbraw/zinc/84/13/17/823841317.db2.gz HSROHZCOBUHMDU-QGZVFWFLSA-N 1 0 398.981 4.039 20 0 GIADRO Cc1nccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(Br)s2)cn1 ZINC000126337318 823842921 /nfs/dbraw/zinc/84/29/21/823842921.db2.gz YOBYSHFZDALWMS-NSHDSACASA-N 1 0 377.311 4.251 20 0 GIADRO COc1ccc(Br)cc1[C@@H]1CCC[N@@H+]1CCc1c(C)noc1C ZINC000165330431 823843889 /nfs/dbraw/zinc/84/38/89/823843889.db2.gz PKORYSIZBGEDIW-KRWDZBQOSA-N 1 0 379.298 4.442 20 0 GIADRO Cc1c2ccc(NC(=O)N3CCC[N@@H+](Cc4ccccc4)C[C@H]3C)cc2nn1C ZINC000574855139 823844098 /nfs/dbraw/zinc/84/40/98/823844098.db2.gz SIIHUPUYVYJXTB-QGZVFWFLSA-N 1 0 391.519 4.010 20 0 GIADRO Cc1noc(-c2ccccc2)c1NC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000126345952 823844939 /nfs/dbraw/zinc/84/49/39/823844939.db2.gz MXJMPEDLOKAMTJ-MAUKXSAKSA-N 1 0 382.508 4.425 20 0 GIADRO C[C@H]([NH2+]C1CCN(Cc2ccc(F)cc2)CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000165359090 823845542 /nfs/dbraw/zinc/84/55/42/823845542.db2.gz UPVXPOUWEOYGPR-INIZCTEOSA-N 1 0 395.522 4.371 20 0 GIADRO CC(=O)N(c1nc(CN2CCC[C@H]([NH+](C)C)C2)cs1)c1cccc(Cl)c1 ZINC000165376311 823846083 /nfs/dbraw/zinc/84/60/83/823846083.db2.gz JNKXQFPOICHBAG-SFHVURJKSA-N 1 0 392.956 4.007 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)c2cc(-c3ccccc3C(F)(F)F)on2)CC1 ZINC000462151634 823846151 /nfs/dbraw/zinc/84/61/51/823846151.db2.gz YSODZRAYLFPQAO-UHFFFAOYSA-N 1 0 395.425 4.212 20 0 GIADRO C[C@@H](NC(=O)C[C@H](C)c1ccc(F)c(Br)c1)C(C)(C)C[NH+](C)C ZINC000462151621 823846321 /nfs/dbraw/zinc/84/63/21/823846321.db2.gz YPLNGZCQIRKBSC-QWHCGFSZSA-N 1 0 387.337 4.174 20 0 GIADRO COc1ccc([C@H](C)[NH2+]C2CCN(Cc3ccc(F)cc3)CC2)cc1NC(C)=O ZINC000165382454 823846515 /nfs/dbraw/zinc/84/65/15/823846515.db2.gz BTVBQTXYAOAIEJ-INIZCTEOSA-N 1 0 399.510 4.108 20 0 GIADRO CCC(=O)Nc1ccc(Cl)c(NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)c1 ZINC000126353778 823846628 /nfs/dbraw/zinc/84/66/28/823846628.db2.gz MERQFQZKACTAIE-HNNXBMFYSA-N 1 0 394.928 4.174 20 0 GIADRO C[C@@H](CNC(=O)c1c(F)cc(C(F)(F)F)cc1F)[N@@H+]1CCc2ccccc2C1 ZINC000574866639 823847157 /nfs/dbraw/zinc/84/71/57/823847157.db2.gz WFUFTSPQNILVPM-LBPRGKRZSA-N 1 0 398.375 4.160 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)CCCc1nc2ccccc2s1 ZINC000462156681 823847917 /nfs/dbraw/zinc/84/79/17/823847917.db2.gz DMUVOHYMZGGBTB-XLIONFOSSA-N 1 0 393.556 4.256 20 0 GIADRO C[C@H](NC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)c1noc(Cc2ccccc2)n1 ZINC000165445719 823849408 /nfs/dbraw/zinc/84/94/08/823849408.db2.gz LAYQXDWYUGGDQC-LVCYWYKZSA-N 1 0 382.552 4.354 20 0 GIADRO O=C(NC1(Cc2ccccc2)CCOCC1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000413843429 823849720 /nfs/dbraw/zinc/84/97/20/823849720.db2.gz JJKUPXRSPKIJLI-UHFFFAOYSA-N 1 0 392.543 4.194 20 0 GIADRO CC[NH+](CC)CCN(C(=O)C1CC2(CCC2)C1)c1ccc(Br)cn1 ZINC000574880710 823849964 /nfs/dbraw/zinc/84/99/64/823849964.db2.gz QEVFBONQEUBVOR-UHFFFAOYSA-N 1 0 394.357 4.099 20 0 GIADRO Cc1ccc(C(=O)N2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000413856060 823851459 /nfs/dbraw/zinc/85/14/59/823851459.db2.gz GFWSCUAVZWJMQC-QHCPKHFHSA-N 1 0 392.547 4.082 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(OCCOc2ccccc2)nc1)c1ccnc(Cl)c1 ZINC000165537462 823852723 /nfs/dbraw/zinc/85/27/23/823852723.db2.gz UHRWDKUTWJEBGV-INIZCTEOSA-N 1 0 383.879 4.439 20 0 GIADRO Cc1cc(Cl)ccc1NC(=O)C[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000192081696 823854148 /nfs/dbraw/zinc/85/41/48/823854148.db2.gz UNLTZALDZSGURN-HKUYNNGSSA-N 1 0 397.277 4.499 20 0 GIADRO Cc1ccc(NC(=O)C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c(Cl)c1 ZINC000192086719 823855740 /nfs/dbraw/zinc/85/57/40/823855740.db2.gz IZSXLNAXZBTKHE-MJGOQNOKSA-N 1 0 397.277 4.499 20 0 GIADRO CSc1nnc(CCC[NH2+][C@H]2CCCOc3cc(C)ccc32)n1CC(C)C ZINC000165641521 823856394 /nfs/dbraw/zinc/85/63/94/823856394.db2.gz JHWUQBCGZIYHSA-SFHVURJKSA-N 1 0 388.581 4.401 20 0 GIADRO CSc1nnc(CCC[NH2+][C@@H]2CCCOc3ccc(F)cc32)n1CC(C)C ZINC000165641247 823856398 /nfs/dbraw/zinc/85/63/98/823856398.db2.gz IWFAIZZIDUXWPR-QGZVFWFLSA-N 1 0 392.544 4.231 20 0 GIADRO CSc1nnc(CCC[NH2+][C@@H]2CCSc3ccccc32)n1CC(C)C ZINC000165643626 823856441 /nfs/dbraw/zinc/85/64/41/823856441.db2.gz JQOPMLPLWPOUDK-MRXNPFEDSA-N 1 0 376.595 4.415 20 0 GIADRO CC[C@H]([NH2+][C@H](C)c1cncc(F)c1)c1ccccc1OCC(=O)N1CCCC1 ZINC000165658097 823857179 /nfs/dbraw/zinc/85/71/79/823857179.db2.gz NQDBWRAYQJZSRP-UZLBHIALSA-N 1 0 385.483 4.024 20 0 GIADRO [NH3+]C[C@@H]1CCCN(C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)C1 ZINC000574904663 823857709 /nfs/dbraw/zinc/85/77/09/823857709.db2.gz YICLFEYJOVGGHA-INIZCTEOSA-N 1 0 380.517 4.090 20 0 GIADRO CCc1nc2c(s1)[C@H]([NH2+]CCCc1nnc(SC)n1CC(C)C)CCC2 ZINC000165675472 823858267 /nfs/dbraw/zinc/85/82/67/823858267.db2.gz CUVUOZYVUVZPRV-CQSZACIVSA-N 1 0 393.626 4.275 20 0 GIADRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1)c1cccc(F)c1F ZINC000165681955 823858368 /nfs/dbraw/zinc/85/83/68/823858368.db2.gz DAPRYZVJULNXKY-CYBMUJFWSA-N 1 0 397.416 4.077 20 0 GIADRO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000064656903 823858864 /nfs/dbraw/zinc/85/88/64/823858864.db2.gz LZJHGRPIAKJAHZ-JCGIZDLHSA-N 1 0 381.358 4.179 20 0 GIADRO Fc1cc([C@@H]2OCC[C@@H]2[NH2+]CCOCC(F)(F)C(F)(F)F)ccc1Cl ZINC000192097336 823858951 /nfs/dbraw/zinc/85/89/51/823858951.db2.gz IZORUFXALDWHAN-STQMWFEESA-N 1 0 391.739 4.113 20 0 GIADRO Cc1cc(C)c(NC(=O)C[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c(C)c1 ZINC000192102254 823860447 /nfs/dbraw/zinc/86/04/47/823860447.db2.gz TWRSJQPDVIIWCQ-RXVVDRJESA-N 1 0 390.886 4.463 20 0 GIADRO Cc1cc(C)c(NC(=O)C[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c(C)c1 ZINC000192102241 823860467 /nfs/dbraw/zinc/86/04/67/823860467.db2.gz TWRSJQPDVIIWCQ-GHTZIAJQSA-N 1 0 390.886 4.463 20 0 GIADRO CC(C)Oc1ccc([C@@H](C[NH2+]Cc2cn3cc(Cl)ccc3n2)N(C)C)cc1 ZINC000574921879 823860674 /nfs/dbraw/zinc/86/06/74/823860674.db2.gz TWKBOQYUVNHPRB-HXUWFJFHSA-N 1 0 386.927 4.167 20 0 GIADRO CSc1nnc(CCC[NH2+][C@H]2c3cc(F)ccc3C[C@@H]2C)n1CC(C)C ZINC000165737547 823861232 /nfs/dbraw/zinc/86/12/32/823861232.db2.gz CDBIXOSXWZMELX-IFXJQAMLSA-N 1 0 376.545 4.251 20 0 GIADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cc(-c3ccccc3C(F)(F)F)on2)C1 ZINC000462189390 823861365 /nfs/dbraw/zinc/86/13/65/823861365.db2.gz MSQLJBUFIGBTHP-AWEZNQCLSA-N 1 0 395.425 4.068 20 0 GIADRO O=C(OCC1CC[NH+](Cc2ccccc2)CC1)c1csc([C@@H]2CCCO2)n1 ZINC000165789595 823863070 /nfs/dbraw/zinc/86/30/70/823863070.db2.gz WBKAAULRCQLXNX-IBGZPJMESA-N 1 0 386.517 4.064 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)CCSc2ccc(F)cc2)c(F)c1 ZINC000413904079 823863626 /nfs/dbraw/zinc/86/36/26/823863626.db2.gz SOVXAJQRHNZRER-UHFFFAOYSA-N 1 0 380.460 4.026 20 0 GIADRO Cc1cc(C(=O)CCC(=O)Nc2ccc(OCC[NH+](C)C)cc2F)c(C)s1 ZINC000413905591 823864101 /nfs/dbraw/zinc/86/41/01/823864101.db2.gz XAMZZBAREDDJHZ-UHFFFAOYSA-N 1 0 392.496 4.046 20 0 GIADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C[C@H](C)c2ccc(F)c(Br)c2)C1 ZINC000462197279 823865186 /nfs/dbraw/zinc/86/51/86/823865186.db2.gz CWVZCGKEFPOWAG-DZGCQCFKSA-N 1 0 385.321 4.025 20 0 GIADRO Cc1nc(C(F)(F)F)c(C[NH2+][C@H]2CCO[C@H]2c2ccc(F)c(F)c2)s1 ZINC000192116952 823865631 /nfs/dbraw/zinc/86/56/31/823865631.db2.gz OEBJPZHJHBHNOA-JSGCOSHPSA-N 1 0 378.366 4.368 20 0 GIADRO CC1(C(=O)NCCc2cc(F)c(F)c(F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000165932187 823866316 /nfs/dbraw/zinc/86/63/16/823866316.db2.gz KNFLNPGHKLVGNJ-UHFFFAOYSA-N 1 0 390.449 4.065 20 0 GIADRO CCc1c(NC(=O)c2cccc(C[NH+](C)C)c2)cnn1-c1ccccc1Cl ZINC000192120561 823866523 /nfs/dbraw/zinc/86/65/23/823866523.db2.gz ODTPFYXYOHUAND-UHFFFAOYSA-N 1 0 382.895 4.402 20 0 GIADRO Cc1cc(C[NH2+]C2CCN(Cc3coc(-c4ccccc4)n3)CC2)cc(C)c1O ZINC000574943733 823866829 /nfs/dbraw/zinc/86/68/29/823866829.db2.gz JLVLJMXLBZGOSQ-UHFFFAOYSA-N 1 0 391.515 4.418 20 0 GIADRO COc1cccc(C[NH2+][C@H]2CCCOc3cc(Br)ccc32)c1OC ZINC000165971672 823867299 /nfs/dbraw/zinc/86/72/99/823867299.db2.gz LTOYKZMZQMEXFF-INIZCTEOSA-N 1 0 392.293 4.470 20 0 GIADRO CCOc1cc(F)ccc1NC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000064705535 823867688 /nfs/dbraw/zinc/86/76/88/823867688.db2.gz BDUFUTMXMOYBEP-OAHLLOKOSA-N 1 0 391.512 4.320 20 0 GIADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc(-c3ccccc3C(F)(F)F)on2)C1 ZINC000462203518 823868771 /nfs/dbraw/zinc/86/87/71/823868771.db2.gz PVLMGILXWRLCEI-AWEZNQCLSA-N 1 0 395.425 4.164 20 0 GIADRO CCOc1ccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c(C(F)(F)F)c1 ZINC000166081707 823869580 /nfs/dbraw/zinc/86/95/80/823869580.db2.gz PTGNKWQQUGIKMY-CXAGYDPISA-N 1 0 385.430 4.052 20 0 GIADRO COc1ccc([C@@H](C)CC[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)cc1 ZINC000166091802 823869652 /nfs/dbraw/zinc/86/96/52/823869652.db2.gz UPKJMFSKBJZOKX-GJZGRUSLSA-N 1 0 379.497 4.082 20 0 GIADRO O=C1CCCN1Cc1cccc(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)c1 ZINC000166143332 823870458 /nfs/dbraw/zinc/87/04/58/823870458.db2.gz MXXXXFACRGDHDS-GGAORHGYSA-N 1 0 378.516 4.067 20 0 GIADRO O=C1CCCN1Cc1cccc(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)c1 ZINC000166142974 823870603 /nfs/dbraw/zinc/87/06/03/823870603.db2.gz MXXXXFACRGDHDS-JTHBVZDNSA-N 1 0 378.516 4.067 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)c1c(Cl)cccc1Cl ZINC000413939532 823872196 /nfs/dbraw/zinc/87/21/96/823872196.db2.gz PGXBRINJKVNWPR-UHFFFAOYSA-N 1 0 383.275 4.195 20 0 GIADRO Cc1cc(C)n(-c2ccc(C[NH2+][C@H](C[C@H]3CCOC3)c3ccccc3)cn2)n1 ZINC000166208464 823872574 /nfs/dbraw/zinc/87/25/74/823872574.db2.gz WPGPPCSEZABKKB-DENIHFKCSA-N 1 0 376.504 4.142 20 0 GIADRO Cc1ccc(-c2nnc([C@H](C)N[C@@H]3CC[N@H+](C)[C@H]3c3ccccc3)o2)cc1C ZINC000574961651 823872874 /nfs/dbraw/zinc/87/28/74/823872874.db2.gz GHWARDOALASKER-WMQCIHAUSA-N 1 0 376.504 4.449 20 0 GIADRO Cn1cc(C[N@H+](C)CCc2nc(-c3ccccc3)no2)c(C2CCCCC2)n1 ZINC000574962224 823873428 /nfs/dbraw/zinc/87/34/28/823873428.db2.gz OYMTVOQDVMAEOT-UHFFFAOYSA-N 1 0 379.508 4.192 20 0 GIADRO Clc1ccccc1CN1CCC([NH2+]Cc2ccc(C3OCCO3)cc2)CC1 ZINC000166245582 823873479 /nfs/dbraw/zinc/87/34/79/823873479.db2.gz ZORRAXAKMTXEKE-UHFFFAOYSA-N 1 0 386.923 4.140 20 0 GIADRO CCOc1ccc(NC(=O)N2CC[N@H+](Cc3ccccc3)[C@H](CC)C2)cc1OC ZINC000574965840 823874723 /nfs/dbraw/zinc/87/47/23/823874723.db2.gz SJZJVXKNKYIPEM-HXUWFJFHSA-N 1 0 397.519 4.222 20 0 GIADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2cc(-c3ccccc3Cl)n[nH]2)C1 ZINC000064735658 823875185 /nfs/dbraw/zinc/87/51/85/823875185.db2.gz FOKNWGCAUZXGGU-XHSDSOJGSA-N 1 0 386.927 4.208 20 0 GIADRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1cc(Cl)nc(Cl)c1 ZINC000126467002 823875668 /nfs/dbraw/zinc/87/56/68/823875668.db2.gz QOLARBOYPFTMMN-UHFFFAOYSA-N 1 0 396.343 4.498 20 0 GIADRO O=C(c1ccc(C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)cc1)N1CCCC1 ZINC000166347660 823875865 /nfs/dbraw/zinc/87/58/65/823875865.db2.gz IKDVGMOTRZJKPI-NFBKMPQASA-N 1 0 378.516 4.180 20 0 GIADRO O=C(c1ccc(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)cc1)N1CCCC1 ZINC000166347778 823875900 /nfs/dbraw/zinc/87/59/00/823875900.db2.gz IKDVGMOTRZJKPI-OFNKIYASSA-N 1 0 378.516 4.180 20 0 GIADRO Cc1cc(Br)ccc1C(=O)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000064735940 823875943 /nfs/dbraw/zinc/87/59/43/823875943.db2.gz YVEUSFFZQDQHMT-HLLBOEOZSA-N 1 0 379.342 4.235 20 0 GIADRO Cc1cc(/C=C(/C#N)C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)c(C)n1CC(C)C ZINC000064739253 823876985 /nfs/dbraw/zinc/87/69/85/823876985.db2.gz WIMJCTQYJILHDD-QRVIBDJDSA-N 1 0 398.595 4.247 20 0 GIADRO C[NH+]1CCC(Oc2ccc(C[NH2+]Cc3ccc(OC(F)(F)F)cc3)cc2)CC1 ZINC000574977016 823877923 /nfs/dbraw/zinc/87/79/23/823877923.db2.gz WBLLXMZMRLPWCB-UHFFFAOYSA-N 1 0 394.437 4.348 20 0 GIADRO C[C@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1ccc(SCC(F)F)cc1 ZINC000166465544 823877827 /nfs/dbraw/zinc/87/78/27/823877827.db2.gz CRKUYYWAZFPINC-HOCLYGCPSA-N 1 0 380.508 4.097 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)c1ccc(OC)c2ccccc12 ZINC000413959575 823878469 /nfs/dbraw/zinc/87/84/69/823878469.db2.gz PXPPQARLFDNPGA-UHFFFAOYSA-N 1 0 394.471 4.050 20 0 GIADRO CCc1nc2ccccc2n1C1CC[NH+]([C@H]2CCc3ccccc3NC2=O)CC1 ZINC000192144920 823879044 /nfs/dbraw/zinc/87/90/44/823879044.db2.gz PNDJKRRGJAMCEJ-QFIPXVFZSA-N 1 0 388.515 4.189 20 0 GIADRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+][C@H]3c4ccccc4C[C@@H]3O)s2)cc1 ZINC000166627245 823880120 /nfs/dbraw/zinc/88/01/20/823880120.db2.gz XSAXYAVTIPDYAY-MRFFXTKBSA-N 1 0 380.513 4.436 20 0 GIADRO COc1cccc2c1CCC[C@@H]2[NH2+][C@@H](CO)c1ccccc1OC(F)(F)F ZINC000574989888 823880845 /nfs/dbraw/zinc/88/08/45/823880845.db2.gz LXFTVUCUGAXSOA-IRXDYDNUSA-N 1 0 381.394 4.294 20 0 GIADRO C[C@@H]([NH2+]C[C@H]1CC2(CCC2)C(=O)O1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000192149674 823880852 /nfs/dbraw/zinc/88/08/52/823880852.db2.gz SVOHFHIQBHRQLD-OXQOHEQNSA-N 1 0 378.472 4.075 20 0 GIADRO Clc1ccccc1[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc2c(c1)OCCO2 ZINC000166727926 823881707 /nfs/dbraw/zinc/88/17/07/823881707.db2.gz KMLUSEVMRPTLGT-PMAPCBKXSA-N 1 0 398.934 4.417 20 0 GIADRO O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)c1cc2sccc2[nH]1 ZINC000192152009 823882069 /nfs/dbraw/zinc/88/20/69/823882069.db2.gz LWMBWOYRXSNYEL-UHFFFAOYSA-N 1 0 397.544 4.031 20 0 GIADRO C[C@H](C(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1c(F)cccc1F ZINC000126506228 823886572 /nfs/dbraw/zinc/88/65/72/823886572.db2.gz YTKRQAFASBIQFD-AWEZNQCLSA-N 1 0 376.472 4.256 20 0 GIADRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C)cc1OC[C@@H]1CCOC1)CCCO2 ZINC000167167240 823887553 /nfs/dbraw/zinc/88/75/53/823887553.db2.gz VEANSTGPHPRLMM-GCJKJVERSA-N 1 0 397.515 4.422 20 0 GIADRO O=S1(=O)CCC[C@@H](C[NH2+][C@@H](Cc2ccc(F)cc2)c2ccccc2Cl)C1 ZINC000575013674 823888107 /nfs/dbraw/zinc/88/81/07/823888107.db2.gz YTWADTMHZPXBRB-JXFKEZNVSA-N 1 0 395.927 4.177 20 0 GIADRO Cc1noc(-c2ccccc2)c1NC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000126512539 823888231 /nfs/dbraw/zinc/88/82/31/823888231.db2.gz BNGHFBUPLHMCFZ-UHFFFAOYSA-N 1 0 382.508 4.426 20 0 GIADRO CCNC(=O)c1ccc(C[NH2+]Cc2ccc(Br)c(Cl)c2)cc1 ZINC000192165954 823888506 /nfs/dbraw/zinc/88/85/06/823888506.db2.gz RCVRBXFAJSWHQC-UHFFFAOYSA-N 1 0 381.701 4.142 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000064804717 823888717 /nfs/dbraw/zinc/88/87/17/823888717.db2.gz PESOMYYHGPBWCD-UHFFFAOYSA-N 1 0 383.492 4.119 20 0 GIADRO Cc1ccc(C[NH2+][C@H](C)c2ccc(-n3ccnc3)cc2)c(OC[C@@H]2CCOC2)c1 ZINC000167200804 823888998 /nfs/dbraw/zinc/88/89/98/823888998.db2.gz QXSPCYLNTQLECJ-WOJBJXKFSA-N 1 0 391.515 4.447 20 0 GIADRO OC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1 ZINC000126519322 823889544 /nfs/dbraw/zinc/88/95/44/823889544.db2.gz WRVYQVTVSVIYAQ-RLCAUIQDSA-N 1 0 383.332 4.046 20 0 GIADRO COCCCOc1cc(C)ccc1C[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000167242252 823889506 /nfs/dbraw/zinc/88/95/06/823889506.db2.gz RBQWZJQEMDSFAU-LJQANCHMSA-N 1 0 396.531 4.388 20 0 GIADRO C[C@H](Cc1ccsc1)[NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1 ZINC000167304198 823890409 /nfs/dbraw/zinc/89/04/09/823890409.db2.gz VFWMIPVWGOHVDC-MRXNPFEDSA-N 1 0 380.517 4.186 20 0 GIADRO COCCOc1cc(C)ccc1C[NH2+][C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000167640226 823894049 /nfs/dbraw/zinc/89/40/49/823894049.db2.gz LGAKUZNSCVZXHI-GOSISDBHSA-N 1 0 379.504 4.365 20 0 GIADRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]C[C@@H]3CC4(CCC4)C(=O)O3)s2)cc1 ZINC000192182922 823894901 /nfs/dbraw/zinc/89/49/01/823894901.db2.gz GPRIRCAJJJTFCO-DYVFJYSZSA-N 1 0 386.517 4.264 20 0 GIADRO C[C@H]1CC[N@H+](CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)CCS1 ZINC000192184200 823895108 /nfs/dbraw/zinc/89/51/08/823895108.db2.gz YAGKGGUYRLOMLO-KKSFZXQISA-N 1 0 386.586 4.050 20 0 GIADRO C[C@@H]1CC[N@H+](CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)CCS1 ZINC000192184193 823895193 /nfs/dbraw/zinc/89/51/93/823895193.db2.gz YAGKGGUYRLOMLO-IERDGZPVSA-N 1 0 386.586 4.050 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccnc(Cl)c1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000167813290 823895868 /nfs/dbraw/zinc/89/58/68/823895868.db2.gz PZJAHMYXDOJSFN-UONOGXRCSA-N 1 0 377.891 4.247 20 0 GIADRO O=C1CCCN1CCC[NH2+][C@@H](c1ccccc1)c1cccc(Br)c1 ZINC000414057194 823897237 /nfs/dbraw/zinc/89/72/37/823897237.db2.gz FPOSFTRXFSSANW-FQEVSTJZSA-N 1 0 387.321 4.141 20 0 GIADRO COC(=O)c1cnc([C@@H](C)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)s1 ZINC000414057069 823897493 /nfs/dbraw/zinc/89/74/93/823897493.db2.gz FDQTZMFUSSKCLZ-MRXNPFEDSA-N 1 0 387.549 4.012 20 0 GIADRO O=S(=O)(c1ccc(C[NH2+]Cc2ccc(-c3ccccc3)o2)cc1)N1CCCC1 ZINC000126557836 823898181 /nfs/dbraw/zinc/89/81/81/823898181.db2.gz BFGKRPBQOBXFPK-UHFFFAOYSA-N 1 0 396.512 4.021 20 0 GIADRO CC[S@](=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc(Br)c(Cl)c2)C1 ZINC000192196361 823898087 /nfs/dbraw/zinc/89/80/87/823898087.db2.gz JXRDORVGEPQMDC-QAJFTPDKSA-N 1 0 378.763 4.272 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc(OC(F)F)c(F)c1 ZINC000462251584 823899112 /nfs/dbraw/zinc/89/91/12/823899112.db2.gz BOJRVVSHHQCSIJ-GUYCJALGSA-N 1 0 393.409 4.069 20 0 GIADRO CCCS(=O)(=O)N1CCC([NH2+][C@H]2CCC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000414062027 823899103 /nfs/dbraw/zinc/89/91/03/823899103.db2.gz KVMHNPLISMWFOY-PXNSSMCTSA-N 1 0 399.000 4.160 20 0 GIADRO Cc1cc(C)c2[nH+]cc(C(=O)[O-])c(N3CC[NH+]([C@@H](C)c4ccsc4)CC3)c2c1 ZINC000575049202 823899591 /nfs/dbraw/zinc/89/95/91/823899591.db2.gz WPFWUAMZWMMJQS-INIZCTEOSA-N 1 0 395.528 4.495 20 0 GIADRO CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3ncccc3F)C2)cc1 ZINC000168117503 823900307 /nfs/dbraw/zinc/90/03/07/823900307.db2.gz PQYGYTLMLQSQPT-APWZRJJASA-N 1 0 399.514 4.024 20 0 GIADRO CC(C)(C)O[C@H]1C[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3F)CC2)C1(C)C ZINC000414067267 823900305 /nfs/dbraw/zinc/90/03/05/823900305.db2.gz QGGUNVCMEGQLPC-MOPGFXCFSA-N 1 0 376.516 4.002 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(c2ncccc2F)C1)c1ccc(F)cc1Br ZINC000168148156 823900522 /nfs/dbraw/zinc/90/05/22/823900522.db2.gz PYIPRWUEFKHEIZ-WCQYABFASA-N 1 0 382.252 4.052 20 0 GIADRO COC(=O)c1cnc([C@@H](C)[NH2+]C[C@@H](C)CSc2ccccc2OC)s1 ZINC000414070478 823900882 /nfs/dbraw/zinc/90/08/82/823900882.db2.gz CHVNRTFWEXBGDJ-CHWSQXEVSA-N 1 0 380.535 4.017 20 0 GIADRO Clc1cc(C[NH2+]CCc2nnc(-c3ccccc3)o2)ccc1Br ZINC000192204181 823901136 /nfs/dbraw/zinc/90/11/36/823901136.db2.gz ROWIZXBUOQCIPI-UHFFFAOYSA-N 1 0 392.684 4.485 20 0 GIADRO C[C@H]([NH2+]CC1(N(C)C)CCOCC1)c1ccc(SCC(F)(F)F)cc1 ZINC000168262829 823901472 /nfs/dbraw/zinc/90/14/72/823901472.db2.gz QSPUTPKKHDWUAO-AWEZNQCLSA-N 1 0 376.488 4.102 20 0 GIADRO C[C@H](C[NH2+][C@H](C)c1cc2n(n1)CCC2)Sc1ccc(Br)cc1 ZINC000414073929 823901777 /nfs/dbraw/zinc/90/17/77/823901777.db2.gz GJKYSRLCPHPHQH-CHWSQXEVSA-N 1 0 380.355 4.423 20 0 GIADRO O=C1Nc2ccccc2C12CCC([NH2+]C1CCN(c3cccs3)CC1)CC2 ZINC000168461528 823903049 /nfs/dbraw/zinc/90/30/49/823903049.db2.gz XETFVPLCUHCWRY-UHFFFAOYSA-N 1 0 381.545 4.139 20 0 GIADRO COc1cc(C[NH2+][C@H]2CCCOc3ccc(C(C)C)cc32)ccc1OCCO ZINC000126577428 823903912 /nfs/dbraw/zinc/90/39/12/823903912.db2.gz CCDVUNYYYDZMGN-FQEVSTJZSA-N 1 0 385.504 4.193 20 0 GIADRO COCc1cc([C@H](C)[NH2+][C@H](C)c2cc(OC)c(OC)cc2F)ccc1OC ZINC000168585865 823904597 /nfs/dbraw/zinc/90/45/97/823904597.db2.gz JYDHJINBBFTUMI-UONOGXRCSA-N 1 0 377.456 4.410 20 0 GIADRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000575074923 823904795 /nfs/dbraw/zinc/90/47/95/823904795.db2.gz OILUSPLWZZHXKI-QZTJIDSGSA-N 1 0 395.469 4.025 20 0 GIADRO COc1cc(F)c([C@H](C)[NH2+]C2CCC3(CC2)C(=O)Nc2ccccc23)cc1OC ZINC000168603755 823904915 /nfs/dbraw/zinc/90/49/15/823904915.db2.gz WJNVRDMJLGWIHG-IJQKHUKSSA-N 1 0 398.478 4.326 20 0 GIADRO CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2ccc(COC3CCOCC3)cc2)C1(C)C ZINC000414091531 823906897 /nfs/dbraw/zinc/90/68/97/823906897.db2.gz DOIYRVSDRBRYLC-LEWJYISDSA-N 1 0 375.553 4.454 20 0 GIADRO CCOc1ccc(NC(=O)COc2ccc(C[NH2+]C3(C)CCC3)cc2OC)cc1 ZINC000169055412 823907923 /nfs/dbraw/zinc/90/79/23/823907923.db2.gz SDXACEVGMSEARX-UHFFFAOYSA-N 1 0 398.503 4.144 20 0 GIADRO COc1ccc(-c2nc3c(s2)[C@@H]([NH2+]CCOc2cccnc2)CCC3)cc1 ZINC000169050843 823908027 /nfs/dbraw/zinc/90/80/27/823908027.db2.gz LVRBJSHCHPTAAK-SFHVURJKSA-N 1 0 381.501 4.260 20 0 GIADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)[NH2+][C@@H](C)c1cc2n(n1)CCC2 ZINC000414098019 823909325 /nfs/dbraw/zinc/90/93/25/823909325.db2.gz JMJJHQLPHUPNBT-JCGVRSQUSA-N 1 0 378.314 4.019 20 0 GIADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1cc(-c2ccccn2)ccc1Cl ZINC000169229572 823909619 /nfs/dbraw/zinc/90/96/19/823909619.db2.gz OLQBMKHESYXPOL-LJQANCHMSA-N 1 0 393.918 4.305 20 0 GIADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2nc(C(F)(F)F)nc3ccccc32)C1 ZINC000064914739 823911191 /nfs/dbraw/zinc/91/11/91/823911191.db2.gz RACIIMHVYRRSMJ-ZNMIVQPWSA-N 1 0 378.442 4.490 20 0 GIADRO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000414106169 823911178 /nfs/dbraw/zinc/91/11/78/823911178.db2.gz QQZWWNQMDHIFDS-OXFYSEKESA-N 1 0 381.907 4.364 20 0 GIADRO C[C@@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)c1csc(-c2ccccc2)n1 ZINC000414109241 823911913 /nfs/dbraw/zinc/91/19/13/823911913.db2.gz GZSBPCJLVOLEMC-MRXNPFEDSA-N 1 0 379.529 4.405 20 0 GIADRO C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000575103206 823913336 /nfs/dbraw/zinc/91/33/36/823913336.db2.gz IVULZRJHGBZZJZ-BHIYHBOVSA-N 1 0 397.485 4.271 20 0 GIADRO C[C@H]([NH2+][C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1)[C@H]1C[C@H]1C ZINC000414117063 823913371 /nfs/dbraw/zinc/91/33/71/823913371.db2.gz RQFMWOCUHWHWHP-NIHZBZNOSA-N 1 0 377.937 4.467 20 0 GIADRO COC(=O)c1cnc([C@H](C)NCc2cccc(C[NH+]3CCC(C)CC3)c2)s1 ZINC000414124087 823914317 /nfs/dbraw/zinc/91/43/17/823914317.db2.gz OYCRQPUKGLSYRJ-INIZCTEOSA-N 1 0 387.549 4.012 20 0 GIADRO C[C@@H](C[NH2+][C@@H](C)c1ccc(Br)cn1)N1CCc2sccc2C1 ZINC000575107200 823914655 /nfs/dbraw/zinc/91/46/55/823914655.db2.gz MXSDNEUGKBNWMW-STQMWFEESA-N 1 0 380.355 4.003 20 0 GIADRO COc1ccc2oc(C[NH2+]C[C@@H]3CCN(c4cc(OC)cc(OC)c4)C3)cc2c1 ZINC000126629480 823915051 /nfs/dbraw/zinc/91/50/51/823915051.db2.gz PIKDTFSNDBIUGQ-INIZCTEOSA-N 1 0 396.487 4.075 20 0 GIADRO CC1(C(=O)Nc2cccc(C(F)(F)F)n2)CC[NH+](Cc2ccccc2)CC1 ZINC000192246031 823915430 /nfs/dbraw/zinc/91/54/30/823915430.db2.gz IYTMDRYSWWSFDM-UHFFFAOYSA-N 1 0 377.410 4.341 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1)c1cccc(O)c1 ZINC000126631945 823915612 /nfs/dbraw/zinc/91/56/12/823915612.db2.gz SKJNNYVZCYISKN-QWHCGFSZSA-N 1 0 377.282 4.223 20 0 GIADRO CCC(=O)N1CC[C@@H]([NH2+][C@H]2CCCc3nc(-c4ccc(Cl)cc4)sc32)C1 ZINC000126633030 823916007 /nfs/dbraw/zinc/91/60/07/823916007.db2.gz KPGZLLVWYMHMKK-CVEARBPZSA-N 1 0 389.952 4.441 20 0 GIADRO CC(C)(C)[N@@H+]1CCc2nc(NC(=O)c3cnnc(-c4ccccc4)c3)sc2C1 ZINC000575117834 823916788 /nfs/dbraw/zinc/91/67/88/823916788.db2.gz KIALAHAKZUWHLH-UHFFFAOYSA-N 1 0 393.516 4.009 20 0 GIADRO C[C@H]1CCCN(C(=O)C2CC[NH+](CCOc3cccc4ccccc43)CC2)C1 ZINC000064952431 823917717 /nfs/dbraw/zinc/91/77/17/823917717.db2.gz CFDBDFRNMVGGAD-IBGZPJMESA-N 1 0 380.532 4.189 20 0 GIADRO COc1cc(C[NH2+]CC2(C)OCCCO2)ccc1OCc1ccc(Cl)cc1 ZINC000192252972 823917817 /nfs/dbraw/zinc/91/78/17/823917817.db2.gz KXJNBEXCXRGPFN-UHFFFAOYSA-N 1 0 391.895 4.170 20 0 GIADRO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(Br)c(C)c2)c2ccccc2C1 ZINC000414145158 823917995 /nfs/dbraw/zinc/91/79/95/823917995.db2.gz NQYMKJNJKQBBAT-HXUWFJFHSA-N 1 0 387.321 4.341 20 0 GIADRO CC(C)c1ccc(C[N@H+](C)CCCOc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000064961762 823918719 /nfs/dbraw/zinc/91/87/19/823918719.db2.gz IXZVRUCPQZACDG-UHFFFAOYSA-N 1 0 375.534 4.114 20 0 GIADRO CC(C)[N@H+](CCCc1ccncc1)C[C@@H](O)COc1cccc2ccccc21 ZINC000462310302 823920366 /nfs/dbraw/zinc/92/03/66/823920366.db2.gz GDWRXAOICRFFLC-JOCHJYFZSA-N 1 0 378.516 4.318 20 0 GIADRO Cc1sc(NC(=O)[C@@H](C)[NH+]2CCCCCC2)nc1-c1c[nH]c2ncccc12 ZINC000126657990 823921005 /nfs/dbraw/zinc/92/10/05/823921005.db2.gz MILHINJJMCEXEJ-CYBMUJFWSA-N 1 0 383.521 4.198 20 0 GIADRO CCC[C@H]([NH2+]C[C@H](CO)Cc1cc(F)cc(Br)c1)c1cccnc1 ZINC000414171913 823922276 /nfs/dbraw/zinc/92/22/76/823922276.db2.gz DLFPORSUVVPYIH-BEFAXECRSA-N 1 0 395.316 4.265 20 0 GIADRO Cc1nccnc1[C@@H](C)[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000414174419 823922565 /nfs/dbraw/zinc/92/25/65/823922565.db2.gz HHCOYYNCLFICPK-YFXJRYMSSA-N 1 0 390.506 4.243 20 0 GIADRO CC(C)(C)c1n[nH]cc1C[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000065014540 823924636 /nfs/dbraw/zinc/92/46/36/823924636.db2.gz VAQVFGRCTQARPX-UHFFFAOYSA-N 1 0 377.414 4.202 20 0 GIADRO COc1ccc(CCC(=O)N2CCC[N@H+](Cc3cc(C)sc3C)CC2)cc1 ZINC000170646364 823924893 /nfs/dbraw/zinc/92/48/93/823924893.db2.gz WIWRHQWBLCYJAD-UHFFFAOYSA-N 1 0 386.561 4.041 20 0 GIADRO COC1CCC([NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)CC1 ZINC000414190163 823924924 /nfs/dbraw/zinc/92/49/24/823924924.db2.gz SPRCYDRSWFWWCA-CTWPCTMYSA-N 1 0 382.342 4.464 20 0 GIADRO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]C[C@H]1CCC[C@@H]1C1CC1 ZINC000414187089 823925086 /nfs/dbraw/zinc/92/50/86/823925086.db2.gz HZIBFSOSJCREKR-FQELHTAISA-N 1 0 383.536 4.168 20 0 GIADRO O=C(Nc1cccc(-c2ccc3c(c2)CCO3)c1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000575152777 823925135 /nfs/dbraw/zinc/92/51/35/823925135.db2.gz ZIWMXMXLDMLIFW-SFTDATJTSA-N 1 0 391.515 4.142 20 0 GIADRO C[C@@H](CCc1ccccc1F)C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000126678889 823925307 /nfs/dbraw/zinc/92/53/07/823925307.db2.gz DAISMBFZIUKCFO-SFHVURJKSA-N 1 0 383.511 4.164 20 0 GIADRO C[C@@H]([NH2+]C[C@@H]1CNC(=O)C1)c1ccc(Oc2ccc(Br)cc2)cc1 ZINC000414191936 823925396 /nfs/dbraw/zinc/92/53/96/823925396.db2.gz LPESVQDOBABTDN-ZIAGYGMSSA-N 1 0 389.293 4.028 20 0 GIADRO CCC[C@H]([NH2+]C[C@@H](CO)Cc1cc(F)cc(Br)c1)c1ccccn1 ZINC000414191162 823925481 /nfs/dbraw/zinc/92/54/81/823925481.db2.gz RPMCLQXSPUBABF-YJBOKZPZSA-N 1 0 395.316 4.265 20 0 GIADRO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(Cl)c3cccnc23)C1 ZINC000170647460 823925846 /nfs/dbraw/zinc/92/58/46/823925846.db2.gz SBFPPCFSYKGCLZ-AWEZNQCLSA-N 1 0 375.900 4.235 20 0 GIADRO C[C@H]1C[C@H]([NH2+]CCc2nnc3n2CCCCC3)c2cccc(Br)c21 ZINC000126680423 823925932 /nfs/dbraw/zinc/92/59/32/823925932.db2.gz IWHKKPDJZUGIQP-BBRMVZONSA-N 1 0 389.341 4.148 20 0 GIADRO C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000170648231 823926375 /nfs/dbraw/zinc/92/63/75/823926375.db2.gz YMGYVPNPZBDOAK-DLBZAZTESA-N 1 0 397.519 4.013 20 0 GIADRO C[C@@H]([NH2+]C1(C2CCC2)CCC1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000414199544 823927307 /nfs/dbraw/zinc/92/73/07/823927307.db2.gz XLPODGJWFAKLAS-MRXNPFEDSA-N 1 0 388.533 4.132 20 0 GIADRO COc1ccc([C@H](CO)C[NH2+][C@@H](C)c2cc(C)c(Br)s2)cc1 ZINC000414202356 823927675 /nfs/dbraw/zinc/92/76/75/823927675.db2.gz ZAWFYXFZWMDSDP-JSGCOSHPSA-N 1 0 384.339 4.254 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H]2CCCNc3ccccc32)c1 ZINC000414205466 823928231 /nfs/dbraw/zinc/92/82/31/823928231.db2.gz DCJAOAZHYHJIQH-IBGZPJMESA-N 1 0 378.925 4.170 20 0 GIADRO COc1ccc2oc([C@H](C)[NH2+][C@@H](C)C(=O)Nc3ccccc3OC)c(C)c2c1 ZINC000575162799 823928363 /nfs/dbraw/zinc/92/83/63/823928363.db2.gz LETRCMQFWSAVMP-GJZGRUSLSA-N 1 0 382.460 4.436 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)CCCc2cccnc2)c1 ZINC000414212233 823929664 /nfs/dbraw/zinc/92/96/64/823929664.db2.gz QDPOQIOLBMEWRJ-HNNXBMFYSA-N 1 0 380.941 4.030 20 0 GIADRO CC[C@H]([NH2+]Cc1cc(Cl)cc(S(=O)(=O)CC)c1)c1ccc(OC)cc1 ZINC000414212236 823930235 /nfs/dbraw/zinc/93/02/35/823930235.db2.gz QDZXGBOSBBHICJ-IBGZPJMESA-N 1 0 381.925 4.383 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H](C)[C@@H](C)c2ccc(OC)cc2)c1 ZINC000414213024 823930527 /nfs/dbraw/zinc/93/05/27/823930527.db2.gz RVKHUGRPMNAMHI-HUUCEWRRSA-N 1 0 395.952 4.424 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H]2c3cc(F)ccc3C[C@@H]2C)c1 ZINC000414215391 823931573 /nfs/dbraw/zinc/93/15/73/823931573.db2.gz XGVBBOMKRMGFPU-HXPMCKFVSA-N 1 0 381.900 4.296 20 0 GIADRO CC[C@@H]([NH2+][C@@H](CC)c1ccccc1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000414225717 823933807 /nfs/dbraw/zinc/93/38/07/823933807.db2.gz SRSJSQUEDUJBKW-ZWKOTPCHSA-N 1 0 380.941 4.440 20 0 GIADRO C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]Cc1nccc(C(F)(F)F)n1 ZINC000414233846 823934946 /nfs/dbraw/zinc/93/49/46/823934946.db2.gz FQDQNJSYQVLCMO-VIFPVBQESA-N 1 0 392.194 4.118 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@@H](c1ccccc1)[C@@H]1CCCO1 ZINC000170679325 823935735 /nfs/dbraw/zinc/93/57/35/823935735.db2.gz CUKGGWALAGEAEN-GOTSBHOMSA-N 1 0 395.547 4.246 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@@H]2CCc3cc(Br)ccc32)cn1 ZINC000414237970 823936422 /nfs/dbraw/zinc/93/64/22/823936422.db2.gz BQJDSQQNRLWEFG-GDIGMMSISA-N 1 0 390.325 4.020 20 0 GIADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC3c4ccccc4C2c2ccccc23)C1 ZINC000575200838 823937494 /nfs/dbraw/zinc/93/74/94/823937494.db2.gz LSCFQXJJNNOPQC-KJYPIDOJSA-N 1 0 395.568 4.229 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@H](C)c2sc(C(C)(C)C)nc2C)cn1 ZINC000414240099 823937621 /nfs/dbraw/zinc/93/76/21/823937621.db2.gz DKZRKCYQAPXSFQ-UKPHBRMFSA-N 1 0 376.570 4.394 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000170684890 823938601 /nfs/dbraw/zinc/93/86/01/823938601.db2.gz JOLHPKATMNQUJB-FGZHOGPDSA-N 1 0 397.563 4.040 20 0 GIADRO CC[C@H]([NH2+]CCc1nnc2n1CCCCC2)c1ccc(Br)cc1 ZINC000126739383 823938920 /nfs/dbraw/zinc/93/89/20/823938920.db2.gz DNAOHRMBISTMLM-INIZCTEOSA-N 1 0 377.330 4.050 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@@H](C[C@@H]2CCCO2)c2ccc(F)cc2)cn1 ZINC000414244167 823938895 /nfs/dbraw/zinc/93/88/95/823938895.db2.gz KTLOCPQIYQFCRE-AGOPTVSRSA-N 1 0 387.499 4.020 20 0 GIADRO O=C(CCCOCc1ccccc1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000065087172 823939466 /nfs/dbraw/zinc/93/94/66/823939466.db2.gz LQWMSGRXKPVHAG-UHFFFAOYSA-N 1 0 380.532 4.286 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Nc1cc(Cl)c(N)c(Cl)c1)c1ccc(F)cc1 ZINC000192301381 823939985 /nfs/dbraw/zinc/93/99/85/823939985.db2.gz IZCABKKTXWZQDC-HNNXBMFYSA-N 1 0 385.270 4.139 20 0 GIADRO Cc1cccc(C)c1OC[C@@H](C)[NH2+]Cc1cnc2ccc(Br)cn12 ZINC000462359542 823940345 /nfs/dbraw/zinc/94/03/45/823940345.db2.gz MQOYCTFYYBMWNJ-OAHLLOKOSA-N 1 0 388.309 4.271 20 0 GIADRO Nc1c(Cl)cc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1Cl ZINC000192302446 823940544 /nfs/dbraw/zinc/94/05/44/823940544.db2.gz JFYHAYFFUREUOP-ZBEGNZNMSA-N 1 0 383.323 4.056 20 0 GIADRO Cc1sc(NC(=O)c2cccc(C[NH+](C)C)c2)nc1-c1c[nH]c2ncccc12 ZINC000126747145 823940744 /nfs/dbraw/zinc/94/07/44/823940744.db2.gz VKYVBHSYPANLCM-UHFFFAOYSA-N 1 0 391.500 4.309 20 0 GIADRO OCC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000575213841 823941197 /nfs/dbraw/zinc/94/11/97/823941197.db2.gz NIENKZAUGYQFIK-XZOAIXRZSA-N 1 0 377.326 4.449 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Nc1cc(Cl)c(N)c(Cl)c1)c1cccc(F)c1 ZINC000192306238 823941245 /nfs/dbraw/zinc/94/12/45/823941245.db2.gz YRCGHLJHKVMIBD-HNNXBMFYSA-N 1 0 385.270 4.139 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000192312802 823943149 /nfs/dbraw/zinc/94/31/49/823943149.db2.gz XZNHZDZDXIHRHM-UHFFFAOYSA-N 1 0 399.297 4.310 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@@H](C)c2cc(Br)cs2)cn1 ZINC000414259710 823944429 /nfs/dbraw/zinc/94/44/29/823944429.db2.gz YJBLZQKUYSRVRH-MQIPJXDCSA-N 1 0 384.343 4.155 20 0 GIADRO C[C@@H]1C[N@@H+](CC2CCN(C(=O)CCCc3ccccc3Cl)CC2)C[C@H](C)O1 ZINC000575222689 823944880 /nfs/dbraw/zinc/94/48/80/823944880.db2.gz OGKVVQNUZZODLU-HDICACEKSA-N 1 0 392.971 4.011 20 0 GIADRO C[C@@H]1C[NH+](CC2CCN(C(=O)CCCc3ccccc3Cl)CC2)C[C@@H](C)O1 ZINC000575222690 823945396 /nfs/dbraw/zinc/94/53/96/823945396.db2.gz OGKVVQNUZZODLU-QZTJIDSGSA-N 1 0 392.971 4.011 20 0 GIADRO Cc1ccccc1[C@@H]1CN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CCO1 ZINC000575225544 823946412 /nfs/dbraw/zinc/94/64/12/823946412.db2.gz ZHUSAMNITVFPHB-QHCPKHFHSA-N 1 0 378.516 4.195 20 0 GIADRO CC(C)(CC[NH2+][C@H]1CCC[C@H]1c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000414268544 823947578 /nfs/dbraw/zinc/94/75/78/823947578.db2.gz USNHOXASBRZIBW-BBRMVZONSA-N 1 0 378.365 4.432 20 0 GIADRO COc1ccccc1C1(CNC(=O)Nc2cccc(C[NH+](C)C)c2)CCCC1 ZINC000575234257 823948203 /nfs/dbraw/zinc/94/82/03/823948203.db2.gz KRQJDEVSTGBMGC-UHFFFAOYSA-N 1 0 381.520 4.390 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cnn(-c3ccccc3)c2C(C)C)[C@H](C)C1 ZINC000192334260 823949317 /nfs/dbraw/zinc/94/93/17/823949317.db2.gz NOPMDXHKVZTLCO-XLIONFOSSA-N 1 0 383.540 4.190 20 0 GIADRO C[C@H]([NH2+]CCC(C)(C)S(C)(=O)=O)c1ccc(SCC(F)(F)F)cc1 ZINC000414274539 823949405 /nfs/dbraw/zinc/94/94/05/823949405.db2.gz ZHQUBPSXGJWWDL-LBPRGKRZSA-N 1 0 383.501 4.205 20 0 GIADRO Cc1nc(C(C)(C)[NH2+]C[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)sc1C ZINC000126784728 823950340 /nfs/dbraw/zinc/95/03/40/823950340.db2.gz QQDQCTVUZKRXBH-SUMWQHHRSA-N 1 0 382.957 4.377 20 0 GIADRO Cc1nc(C(C)(C)[NH2+]C[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)sc1C ZINC000126784924 823950459 /nfs/dbraw/zinc/95/04/59/823950459.db2.gz QQDQCTVUZKRXBH-DYVFJYSZSA-N 1 0 382.957 4.377 20 0 GIADRO CCCCOc1ccc(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc1OC ZINC000065140857 823950658 /nfs/dbraw/zinc/95/06/58/823950658.db2.gz CIUPVQUKFTZDFZ-GHTZIAJQSA-N 1 0 396.531 4.439 20 0 GIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2csc(-c3ccccc3)n2)C1 ZINC000065140710 823950684 /nfs/dbraw/zinc/95/06/84/823950684.db2.gz GUTVEPBPAPLZPV-QFBILLFUSA-N 1 0 377.513 4.375 20 0 GIADRO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)cn1 ZINC000126791145 823951800 /nfs/dbraw/zinc/95/18/00/823951800.db2.gz JVWAYLLBCVKPSR-INIZCTEOSA-N 1 0 381.524 4.063 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cnn(-c3ccccc3)c2C(C)C)C1 ZINC000192341338 823952542 /nfs/dbraw/zinc/95/25/42/823952542.db2.gz BCHIMYNLGOEKCJ-SFHVURJKSA-N 1 0 383.540 4.191 20 0 GIADRO Cc1nn(-c2cccc(F)c2)cc1C[NH2+]Cc1ccc(OC2CCCC2)nc1 ZINC000414306620 823954502 /nfs/dbraw/zinc/95/45/02/823954502.db2.gz GKRMCHDLNSEIQS-UHFFFAOYSA-N 1 0 380.467 4.326 20 0 GIADRO C[C@@H]1CCN(c2c(C(=O)[O-])c[nH+]c3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000575319480 823954698 /nfs/dbraw/zinc/95/46/98/823954698.db2.gz VLLGHKINUHIKKH-QGZVFWFLSA-N 1 0 375.472 4.034 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)N2CCC(F)(c3ccccn3)CC2)cc1)C1CC1 ZINC000575322372 823954737 /nfs/dbraw/zinc/95/47/37/823954737.db2.gz CZUZETACJWOBOG-UHFFFAOYSA-N 1 0 381.495 4.167 20 0 GIADRO Cc1nc(C)c(CN2CC[N@H+](Cc3sc(C)nc3C)[C@@H]3CCCC[C@H]32)s1 ZINC000575324461 823955863 /nfs/dbraw/zinc/95/58/63/823955863.db2.gz KHZGBSNEXTYYCP-QZTJIDSGSA-N 1 0 390.622 4.462 20 0 GIADRO COCC1CCC([NH2+][C@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000414311418 823955882 /nfs/dbraw/zinc/95/58/82/823955882.db2.gz MTWPIAWLHUMNAV-WLYUNCDWSA-N 1 0 388.430 4.097 20 0 GIADRO O[C@H](CSc1nc(-c2ccccc2)cs1)C[N@@H+]1CCc2ccccc2C1 ZINC000065169584 823956384 /nfs/dbraw/zinc/95/63/84/823956384.db2.gz QRQVNKYGWWOHMY-IBGZPJMESA-N 1 0 382.554 4.321 20 0 GIADRO CCOc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@H]2CCCc3c(O)cccc32)cc1 ZINC000192354608 823957165 /nfs/dbraw/zinc/95/71/65/823957165.db2.gz QVCCDPHWUUYDRH-FCHUYYIVSA-N 1 0 394.515 4.122 20 0 GIADRO c1cc(-c2nc(CNC[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)cs2)cs1 ZINC000192355545 823957729 /nfs/dbraw/zinc/95/77/29/823957729.db2.gz WRLFODMXZGNELN-HXUWFJFHSA-N 1 0 399.585 4.252 20 0 GIADRO Cc1cc(C[NH+](C)C)cc(NC(=O)c2ccc(OCc3ccncc3)cc2)c1 ZINC000575337018 823958099 /nfs/dbraw/zinc/95/80/99/823958099.db2.gz XSGJDFXPGCUJNO-UHFFFAOYSA-N 1 0 375.472 4.283 20 0 GIADRO Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000414321198 823958041 /nfs/dbraw/zinc/95/80/41/823958041.db2.gz TWJLPIDTDWXPJK-HSZRJFAPSA-N 1 0 393.462 4.332 20 0 GIADRO c1ccc(CN2CCCO[C@H](C[NH2+]Cc3cccc(-c4cccnc4)c3)C2)cc1 ZINC000192355462 823958085 /nfs/dbraw/zinc/95/80/85/823958085.db2.gz FNMYMXYCIMZWFP-RUZDIDTESA-N 1 0 387.527 4.129 20 0 GIADRO Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+]CC1(CS(C)(=O)=O)CCC1 ZINC000414324715 823958326 /nfs/dbraw/zinc/95/83/26/823958326.db2.gz JGGPDHIENLMOAT-ZDUSSCGKSA-N 1 0 396.553 4.123 20 0 GIADRO NS(=O)(=O)c1ccc(C[NH2+][C@H](c2ccc(Cl)cc2)C2CCC2)cc1Cl ZINC000414324804 823958393 /nfs/dbraw/zinc/95/83/93/823958393.db2.gz BZIYSRDDMMWNTL-SFHVURJKSA-N 1 0 399.343 4.272 20 0 GIADRO O=C(C[NH2+][C@@H]1CCCc2c(O)cccc21)N(Cc1ccco1)c1ccccc1 ZINC000192358270 823958499 /nfs/dbraw/zinc/95/84/99/823958499.db2.gz XOZYUDSZAZLNBW-OAQYLSRUSA-N 1 0 376.456 4.186 20 0 GIADRO CC(C)c1nc(N2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)cc(C(C)(C)C)n1 ZINC000192359468 823959016 /nfs/dbraw/zinc/95/90/16/823959016.db2.gz ORIWSBDPTAAWEL-IBGZPJMESA-N 1 0 381.568 4.251 20 0 GIADRO CC(C)c1cc(Br)ccc1NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000575350291 823959785 /nfs/dbraw/zinc/95/97/85/823959785.db2.gz SDEPNGPDFZOQFF-GOSISDBHSA-N 1 0 380.330 4.180 20 0 GIADRO COc1cc2c(cc1Cl)CN(C(=O)c1cccc(C[NH+]3CCCC3)c1)CC2 ZINC000575353888 823961082 /nfs/dbraw/zinc/96/10/82/823961082.db2.gz GYGHJYBANAXZKO-UHFFFAOYSA-N 1 0 384.907 4.143 20 0 GIADRO Cc1cncc([C@H](C)[NH2+]C2CCN(Cc3cccc(Br)c3)CC2)c1 ZINC000414346368 823962440 /nfs/dbraw/zinc/96/24/40/823962440.db2.gz GAOURGLIOXAOGJ-INIZCTEOSA-N 1 0 388.353 4.468 20 0 GIADRO Cc1ccnc([C@@H](C)[NH2+]C2CCN(Cc3cccc(Br)c3)CC2)c1 ZINC000414349552 823962724 /nfs/dbraw/zinc/96/27/24/823962724.db2.gz KGDVIIFWRJNFJH-MRXNPFEDSA-N 1 0 388.353 4.468 20 0 GIADRO CC(C)NC(=O)[C@@H](C)[NH2+][C@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21 ZINC000414353907 823963323 /nfs/dbraw/zinc/96/33/23/823963323.db2.gz ZPXIFZANXBKRLU-DOMZBBRYSA-N 1 0 377.941 4.344 20 0 GIADRO C[C@H]([NH2+][C@H]1CCN(c2ccc(F)cc2)C1)c1ccc(OCc2nccn2C)cc1 ZINC000414352462 823963349 /nfs/dbraw/zinc/96/33/49/823963349.db2.gz UEFJMFKZZUCWQB-PXNSSMCTSA-N 1 0 394.494 4.068 20 0 GIADRO CC(C)[C@@](C)([NH2+]CC(=O)N(C)c1nccs1)c1ccc(Br)cc1 ZINC000192373907 823963604 /nfs/dbraw/zinc/96/36/04/823963604.db2.gz BQVQDLJHKLFUKM-QGZVFWFLSA-N 1 0 396.354 4.029 20 0 GIADRO Cc1cc(C[NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)ccc1C(F)(F)F ZINC000414360429 823965013 /nfs/dbraw/zinc/96/50/13/823965013.db2.gz AHAHGOFQMTVDHR-GOSISDBHSA-N 1 0 376.422 4.152 20 0 GIADRO CC[C@H](CSc1ccc(C)c(C)c1)[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000414363150 823965727 /nfs/dbraw/zinc/96/57/27/823965727.db2.gz GHTOHNVKRLAZBB-OAHLLOKOSA-N 1 0 383.604 4.429 20 0 GIADRO CCC[C@@H]([NH2+]CC(=O)Nc1cccc(C(=O)N(CC)CC)c1)c1ccccc1 ZINC000170768517 823965993 /nfs/dbraw/zinc/96/59/93/823965993.db2.gz VETVRMNHHGHCSD-OAQYLSRUSA-N 1 0 381.520 4.238 20 0 GIADRO Cc1ccc2[nH+]cc(C(=O)[O-])c(NC[C@@H]3CCC[N@@H+](C)[C@H]3c3cccs3)c2c1 ZINC000575408926 823967405 /nfs/dbraw/zinc/96/74/05/823967405.db2.gz APIPSBUJOYIASS-YCRPNKLZSA-N 1 0 395.528 4.220 20 0 GIADRO O=C(C[NH+]1CCCCCCC1)Nc1ccc(NC(=O)c2cc(C3CC3)on2)cc1 ZINC000170777193 823968722 /nfs/dbraw/zinc/96/87/22/823968722.db2.gz HVCKRQJXTRJESC-UHFFFAOYSA-N 1 0 396.491 4.009 20 0 GIADRO Cc1nn(-c2cccc(F)c2)cc1C[NH2+]Cc1ccc(C)cc1O[C@@H]1CCOC1 ZINC000414384272 823970542 /nfs/dbraw/zinc/97/05/42/823970542.db2.gz VJGRYMWJWBHLIM-JOCHJYFZSA-N 1 0 395.478 4.086 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(Cl)cc(F)c2Br)C1 ZINC000575435270 823970700 /nfs/dbraw/zinc/97/07/00/823970700.db2.gz IUUOJQWAQLVFHX-NSHDSACASA-N 1 0 391.712 4.046 20 0 GIADRO CC(C)[C@H](C)[N@@H+]1Cc2cccc(N[C@@H](C)C(=O)Nc3ccnn3C(C)C)c2C1 ZINC000170790062 823971811 /nfs/dbraw/zinc/97/18/11/823971811.db2.gz SNMONXWWAYQOCB-IRXDYDNUSA-N 1 0 383.540 4.263 20 0 GIADRO CN(C(=O)c1cc(Cl)nc(Cl)c1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000126877830 823972315 /nfs/dbraw/zinc/97/23/15/823972315.db2.gz ZAEKFUPGSXJMGU-UHFFFAOYSA-N 1 0 394.302 4.140 20 0 GIADRO Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)N2CCC([NH2+]C(C)C)CC2)c1 ZINC000170791247 823972269 /nfs/dbraw/zinc/97/22/69/823972269.db2.gz QHLUQUUGJKAENY-UHFFFAOYSA-N 1 0 397.567 4.473 20 0 GIADRO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2cc(Cl)c(OC)cc2OC)cn1 ZINC000126879468 823972543 /nfs/dbraw/zinc/97/25/43/823972543.db2.gz CFBATCVKRBMYNN-AWEZNQCLSA-N 1 0 377.916 4.449 20 0 GIADRO CC(=O)c1cccc(OC[C@@H](O)C[N@@H+](CC(C)C)[C@@H]2CCCc3cccnc32)c1 ZINC000126909508 823978621 /nfs/dbraw/zinc/97/86/21/823978621.db2.gz WKWBSSXXSPBSBN-JTHBVZDNSA-N 1 0 396.531 4.060 20 0 GIADRO O=C(CC[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1)Nc1cc(Cl)ccc1Cl ZINC000575621916 823979271 /nfs/dbraw/zinc/97/92/71/823979271.db2.gz ARUONGYMHBIHFX-FUHWJXTLSA-N 1 0 383.319 4.356 20 0 GIADRO CCCNc1ccc(CNC(=O)Nc2ccc([C@H](C)N3CCOCC3)cc2)cc1 ZINC000192415844 823979550 /nfs/dbraw/zinc/97/95/50/823979550.db2.gz DPCYWLXSOBWZNH-SFHVURJKSA-N 1 0 396.535 4.223 20 0 GIADRO COc1ccc([C@H](C)N(C)C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000126919134 823980863 /nfs/dbraw/zinc/98/08/63/823980863.db2.gz PIDJFHJSDKXBSE-QFBILLFUSA-N 1 0 387.549 4.296 20 0 GIADRO CSCCCSc1nc2ccccc2c(=O)n1CC[NH+](C(C)C)C(C)C ZINC000575633259 823980902 /nfs/dbraw/zinc/98/09/02/823980902.db2.gz BIXRMRJBGQLMGH-UHFFFAOYSA-N 1 0 393.622 4.361 20 0 GIADRO Cc1ccc(C[NH2+][C@@H]2CCN(C(C)(C)C)[C@H]2c2ccc(Cl)c(F)c2)nn1 ZINC000414425836 823981785 /nfs/dbraw/zinc/98/17/85/823981785.db2.gz BABJZULKRSQYIU-MOPGFXCFSA-N 1 0 376.907 4.281 20 0 GIADRO CC(C)([NH2+]Cc1ccc(S(C)(=O)=O)s1)c1ccc(OC(F)(F)F)cc1 ZINC000414429136 823982767 /nfs/dbraw/zinc/98/27/67/823982767.db2.gz CSCWJUPAFKMHQF-UHFFFAOYSA-N 1 0 393.452 4.075 20 0 GIADRO CN(CCC(=O)Nc1cccc(COc2ccc(F)cc2)c1)c1cc[nH+]cc1 ZINC000575735254 823983159 /nfs/dbraw/zinc/98/31/59/823983159.db2.gz BYZYFDVUPIDRNL-UHFFFAOYSA-N 1 0 379.435 4.265 20 0 GIADRO CC(C)Cn1ncc(C(=O)N(CC[NH+]2CCCCCC2)C(C)C)c1C(F)F ZINC000575738060 823984186 /nfs/dbraw/zinc/98/41/86/823984186.db2.gz VMYYEZSRLRVZHO-UHFFFAOYSA-N 1 0 384.515 4.203 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]Cc2cn(-c3cccc(F)c3)nc2C)c(C)c1OC ZINC000414443049 823986333 /nfs/dbraw/zinc/98/63/33/823986333.db2.gz MZGGTPHJEGQPSP-MRXNPFEDSA-N 1 0 383.467 4.496 20 0 GIADRO CS(=O)(=O)c1ccc(C[NH2+][C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)s1 ZINC000414446500 823986836 /nfs/dbraw/zinc/98/68/36/823986836.db2.gz JJEJLLKNGFWCIX-HAQNSBGRSA-N 1 0 390.357 4.494 20 0 GIADRO O=C(c1cn(Cc2ccccc2)c2ccccc12)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000126945739 823987169 /nfs/dbraw/zinc/98/71/69/823987169.db2.gz JEQKZXYVKVGZKR-OAQYLSRUSA-N 1 0 387.527 4.248 20 0 GIADRO C[C@@H](NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(-c2ccncc2)cc1 ZINC000575758411 823987604 /nfs/dbraw/zinc/98/76/04/823987604.db2.gz BWNMLUBZQLMPBZ-NTKDMRAZSA-N 1 0 385.511 4.448 20 0 GIADRO CCOc1ccc(NC(=O)c2ccc(NC(=O)C[NH2+][C@@H]3CCC3(C)C)cc2)cc1 ZINC000575759323 823988315 /nfs/dbraw/zinc/98/83/15/823988315.db2.gz QQUKUEXDBQYKQE-HXUWFJFHSA-N 1 0 395.503 4.054 20 0 GIADRO Cc1nn(-c2cccc(F)c2)cc1C[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC000414456358 823988449 /nfs/dbraw/zinc/98/84/49/823988449.db2.gz UNPDAXFTNBAKMX-UHFFFAOYSA-N 1 0 378.373 4.066 20 0 GIADRO Cc1cc(C[NH+](C)C)ccc1NS(=O)(=O)Cc1ccccc1C(F)(F)F ZINC000414461263 823989643 /nfs/dbraw/zinc/98/96/43/823989643.db2.gz OCXKIJRCBVAEOH-UHFFFAOYSA-N 1 0 386.439 4.017 20 0 GIADRO FC(F)(F)Cn1cc(C[NH+]2CC(Cc3ccccc3)(c3ccccc3)C2)cn1 ZINC000414481666 823992567 /nfs/dbraw/zinc/99/25/67/823992567.db2.gz WDBXZDIPNNODDW-UHFFFAOYSA-N 1 0 385.433 4.442 20 0 GIADRO CCCOc1ccc(Oc2ncccc2C[NH2+]C2CCC(C(=O)OC)CC2)cc1 ZINC000192439566 823993611 /nfs/dbraw/zinc/99/36/11/823993611.db2.gz WZVGZIUGGUAGOC-UHFFFAOYSA-N 1 0 398.503 4.484 20 0 GIADRO CC[C@H](C)n1ncc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1C1CC1 ZINC000126981483 823994033 /nfs/dbraw/zinc/99/40/33/823994033.db2.gz AELAYDFFKKKOFD-SPEDKVCISA-N 1 0 394.563 4.372 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]CC2(CCOC)CCCCC2)c1 ZINC000414493728 823994543 /nfs/dbraw/zinc/99/45/43/823994543.db2.gz JBGXAVXAEPPJBH-UHFFFAOYSA-N 1 0 387.973 4.210 20 0 GIADRO Clc1cc(Br)cc(C[NH2+]Cc2ccc(N3CCCC3)nc2)c1 ZINC000414501039 823996469 /nfs/dbraw/zinc/99/64/69/823996469.db2.gz GKENGSFPYYVNPU-UHFFFAOYSA-N 1 0 380.717 4.388 20 0 GIADRO C[NH+](C)Cc1ccc(NC2CCN(C(=O)c3ccccc3Cl)CC2)c(F)c1 ZINC000414504267 823996971 /nfs/dbraw/zinc/99/69/71/823996971.db2.gz XVRPEKPEVFWNAX-UHFFFAOYSA-N 1 0 389.902 4.257 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000192456299 823997754 /nfs/dbraw/zinc/99/77/54/823997754.db2.gz ICUNSXHIEKBHNZ-CYBMUJFWSA-N 1 0 387.524 4.309 20 0 GIADRO CCOc1cc(C[NH2+]C2CCC(COC)CC2)cc(Br)c1OC ZINC000414508483 823997979 /nfs/dbraw/zinc/99/79/79/823997979.db2.gz CQVXKFSGUCSDDF-UHFFFAOYSA-N 1 0 386.330 4.151 20 0 GIADRO C[C@@H]1C[C@@H](C[NH2+]Cc2csc(-c3cccc(Br)c3)n2)[C@@H](C)O1 ZINC000414516145 823999877 /nfs/dbraw/zinc/99/98/77/823999877.db2.gz OMDDWOQFSUAXBH-BZPMIXESSA-N 1 0 381.339 4.476 20 0 GIADRO OC[C@@H](C[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1)c1ccc(F)cc1 ZINC000414519482 824000482 /nfs/dbraw/zinc/00/04/82/824000482.db2.gz CJODIFDHGJEQNY-LJQANCHMSA-N 1 0 394.494 4.065 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCC1)N(Cc1ccc(F)cc1F)C1CC1 ZINC000170886759 824000563 /nfs/dbraw/zinc/00/05/63/824000563.db2.gz PQAPZWTWIWIOKF-UHFFFAOYSA-N 1 0 399.485 4.435 20 0 GIADRO C[C@@H]1C[C@H](C[NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)[C@H](C)O1 ZINC000414521418 824000809 /nfs/dbraw/zinc/00/08/09/824000809.db2.gz WDBTVZRXJRNMTL-MBNYWOFBSA-N 1 0 381.339 4.476 20 0 GIADRO CC(C)[C@H]1[N@H+](CC2=Cc3cc(Br)ccc3OC2)CC12CCOCC2 ZINC000414525813 824002115 /nfs/dbraw/zinc/00/21/15/824002115.db2.gz KJGJFEUQNLZLOL-LJQANCHMSA-N 1 0 392.337 4.362 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc2nc(Cl)ccc2c1 ZINC000127023002 824002309 /nfs/dbraw/zinc/00/23/09/824002309.db2.gz IHUOLILGOZSVQY-UHFFFAOYSA-N 1 0 379.891 4.283 20 0 GIADRO CC[C@H]([NH2+]Cc1ccc2c(c1)sc(=O)n2C)c1ccccc1OC(F)F ZINC000192469284 824002936 /nfs/dbraw/zinc/00/29/36/824002936.db2.gz MFGNVFHNYNJWSG-AWEZNQCLSA-N 1 0 378.444 4.442 20 0 GIADRO COCCNc1ccc(C[NH2+][C@H]2CCc3cc(Br)ccc32)cc1 ZINC000127027448 824003194 /nfs/dbraw/zinc/00/31/94/824003194.db2.gz XSJYWDKGVUCPPG-IBGZPJMESA-N 1 0 375.310 4.285 20 0 GIADRO Cc1nc(COc2ccc(C[NH2+]C[C@H](CO)c3ccc(F)cc3)cc2)cs1 ZINC000414533659 824003565 /nfs/dbraw/zinc/00/35/65/824003565.db2.gz UHPNSXLALUWGKH-GOSISDBHSA-N 1 0 386.492 4.035 20 0 GIADRO OCC1([C@H]([NH2+]Cc2cc(O)cc(C(F)(F)F)c2)c2ccccc2)CCOCC1 ZINC000414538247 824005360 /nfs/dbraw/zinc/00/53/60/824005360.db2.gz LWUXUQRDVFKNOP-LJQANCHMSA-N 1 0 395.421 4.031 20 0 GIADRO OCC1([C@H]([NH2+]Cc2cscc2C(F)(F)F)c2ccccc2)CCOCC1 ZINC000414540858 824005904 /nfs/dbraw/zinc/00/59/04/824005904.db2.gz PKPCZXFWEAAITL-QGZVFWFLSA-N 1 0 385.451 4.387 20 0 GIADRO Cc1ccc(OCCCC(=O)Nc2ccc(C[NH2+][C@H]3CCOC[C@@H]3C)cc2)cc1 ZINC000192478281 824006308 /nfs/dbraw/zinc/00/63/08/824006308.db2.gz KXWTZGMXPWKCRS-CVDCTZTESA-N 1 0 396.531 4.307 20 0 GIADRO COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)[C@](C)([NH3+])c3ccccc3)s2)cc1 ZINC000192480691 824007268 /nfs/dbraw/zinc/00/72/68/824007268.db2.gz OUXFOIRLGWUSBO-IVZQSRNASA-N 1 0 395.528 4.178 20 0 GIADRO Cc1cccc(COc2ccc(NC(=O)N3CCC([NH+](C)C)CC3)c(C)c2)c1 ZINC000170934698 824008486 /nfs/dbraw/zinc/00/84/86/824008486.db2.gz XCMLXCRZNMNMBE-UHFFFAOYSA-N 1 0 381.520 4.440 20 0 GIADRO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2cccc(OCc3ccccc3F)c2)CC1 ZINC000414550053 824009155 /nfs/dbraw/zinc/00/91/55/824009155.db2.gz MMXCIDRYAXTMHN-NRFANRHFSA-N 1 0 396.506 4.382 20 0 GIADRO CC(C)(C)OC(=O)CC[C@H]1CCC[N@H+](Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000414551122 824009885 /nfs/dbraw/zinc/00/98/85/824009885.db2.gz AWVDQLQSISJFJD-NVXWUHKLSA-N 1 0 380.554 4.329 20 0 GIADRO CC(=O)c1cccc(OCC(=O)Nc2ccc(-c3ncc4n3CCCC4)cc2)c1 ZINC000192491971 824010036 /nfs/dbraw/zinc/01/00/36/824010036.db2.gz LQUVNFWIEZWGDQ-UHFFFAOYSA-N 1 0 389.455 4.107 20 0 GIADRO O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)c1ccc(-c2ncon2)cc1 ZINC000170945701 824010497 /nfs/dbraw/zinc/01/04/97/824010497.db2.gz GVAGNRHMTMTWEO-UHFFFAOYSA-N 1 0 376.460 4.365 20 0 GIADRO CSc1ccccc1OC[C@H](O)C[N@H+](Cc1cnc2ccc(C)cn12)C(C)C ZINC000414555842 824011533 /nfs/dbraw/zinc/01/15/33/824011533.db2.gz MTUXWXXKCLWLHZ-LJQANCHMSA-N 1 0 399.560 4.015 20 0 GIADRO O=C(Nc1ccc(OC2CCCC2)c(F)c1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000575851003 824012477 /nfs/dbraw/zinc/01/24/77/824012477.db2.gz MSXYQOGNANCLPG-CVEARBPZSA-N 1 0 375.488 4.001 20 0 GIADRO C[C@@H]1CCCC[C@@H]1OCC[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000127077212 824012512 /nfs/dbraw/zinc/01/25/12/824012512.db2.gz JNVHJJUFMUNJDY-UZLBHIALSA-N 1 0 378.944 4.130 20 0 GIADRO COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[NH2+][C@H](c2ccccc2)C2CC2)c1 ZINC000192507146 824014325 /nfs/dbraw/zinc/01/43/25/824014325.db2.gz OWFFTGTZWKYIFL-XUZZJYLKSA-N 1 0 394.515 4.108 20 0 GIADRO OC[C@H]1CCC[C@@H]([NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccs2)C1 ZINC000414590184 824016692 /nfs/dbraw/zinc/01/66/92/824016692.db2.gz XJYNRWDNBKCDCL-AZUAARDMSA-N 1 0 381.545 4.301 20 0 GIADRO Cn1c2ccc(C[NH2+][C@H]3CCCc4cc(OC(F)F)ccc43)cc2sc1=O ZINC000192516251 824017131 /nfs/dbraw/zinc/01/71/31/824017131.db2.gz OWJKAKUSFTXRSE-INIZCTEOSA-N 1 0 390.455 4.369 20 0 GIADRO [NH3+][C@@H]1CN(C(=O)Nc2cccc(C(F)(F)F)c2)CC[C@H]1c1ccc(F)cc1 ZINC000414666218 824022240 /nfs/dbraw/zinc/02/22/40/824022240.db2.gz WMTSSGAASYOXKL-DLBZAZTESA-N 1 0 381.373 4.193 20 0 GIADRO CC[N@@H+]1CC[C@@H](CNC(=O)CCN2c3ccccc3Sc3ccccc32)C1 ZINC000170969536 824022758 /nfs/dbraw/zinc/02/27/58/824022758.db2.gz WEHYOBUSTMSRCU-KRWDZBQOSA-N 1 0 381.545 4.137 20 0 GIADRO O=C(C[NH2+]C1(c2ccc(F)cc2)CCOCC1)Nc1ccccc1C(F)(F)F ZINC000170971280 824023118 /nfs/dbraw/zinc/02/31/18/824023118.db2.gz UTLSYHXDYZCMBY-UHFFFAOYSA-N 1 0 396.384 4.079 20 0 GIADRO CC1(C)CN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)[C@H]1c1cccs1 ZINC000575898258 824023171 /nfs/dbraw/zinc/02/31/71/824023171.db2.gz PFZYZSKDAJJBAE-QFIPXVFZSA-N 1 0 397.588 4.260 20 0 GIADRO CCCOc1ccc(C[N@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)cc1OC ZINC000127132799 824023794 /nfs/dbraw/zinc/02/37/94/824023794.db2.gz VCOUEQFUBQKRPV-QGZVFWFLSA-N 1 0 380.492 4.258 20 0 GIADRO CCCOc1ccc(C[N@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc1OC ZINC000127132585 824023833 /nfs/dbraw/zinc/02/38/33/824023833.db2.gz VCOUEQFUBQKRPV-KRWDZBQOSA-N 1 0 380.492 4.258 20 0 GIADRO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414694118 824024810 /nfs/dbraw/zinc/02/48/10/824024810.db2.gz MNTQACRDVPGQDL-RYUDHWBXSA-N 1 0 375.822 4.212 20 0 GIADRO Cc1ncc([C@H](C)[NH2+]C[C@H]2CCN(c3cccc(Br)c3)C2)s1 ZINC000127140920 824025011 /nfs/dbraw/zinc/02/50/11/824025011.db2.gz USITVOQRQOCLJL-GXTWGEPZSA-N 1 0 380.355 4.391 20 0 GIADRO COc1ccc2sc(-c3nc([C@@H]4C[N@@H+]5CCC[C@@]5(C)CO4)no3)c(C)c2c1 ZINC000575907101 824026004 /nfs/dbraw/zinc/02/60/04/824026004.db2.gz XIVDITMOJJZDFE-YWZLYKJASA-N 1 0 385.489 4.194 20 0 GIADRO Cc1cc(NC(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)ccc1Br ZINC000414716776 824026220 /nfs/dbraw/zinc/02/62/20/824026220.db2.gz YFFFOKCQOSDGPF-RHSMWYFYSA-N 1 0 380.330 4.144 20 0 GIADRO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N(C)[C@@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000414723105 824026995 /nfs/dbraw/zinc/02/69/95/824026995.db2.gz BCJGAKWLTLGVLD-NEPJUHHUSA-N 1 0 394.302 4.171 20 0 GIADRO CCOc1ccc(Oc2ccccc2NC(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000414722278 824027078 /nfs/dbraw/zinc/02/70/78/824027078.db2.gz FBVPYABKONTQFE-SJORKVTESA-N 1 0 383.492 4.469 20 0 GIADRO C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000414723107 824027155 /nfs/dbraw/zinc/02/71/55/824027155.db2.gz BCJGAKWLTLGVLD-NWDGAFQWSA-N 1 0 394.302 4.171 20 0 GIADRO [NH3+][C@H]1CCC[C@@H](NC(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)C1 ZINC000414723891 824027539 /nfs/dbraw/zinc/02/75/39/824027539.db2.gz DACJIWNWFRVHNY-DOTOQJQBSA-N 1 0 380.517 4.279 20 0 GIADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000414723940 824027558 /nfs/dbraw/zinc/02/75/58/824027558.db2.gz DGIMXLIBFYIGSC-CJNGLKHVSA-N 1 0 384.446 4.039 20 0 GIADRO CO[C@H]1CCN(C(=O)Nc2ccc(Sc3ccc(C)cc3C)cc2)[C@H](C[NH3+])C1 ZINC000414723260 824027573 /nfs/dbraw/zinc/02/75/73/824027573.db2.gz IAAUSVYASIXHGT-OALUTQOASA-N 1 0 399.560 4.425 20 0 GIADRO C[C@@H]1CN(C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)C[C@@]1(C)C[NH3+] ZINC000414727453 824028842 /nfs/dbraw/zinc/02/88/42/824028842.db2.gz MPHISLHZVHJURJ-IVZQSRNASA-N 1 0 394.544 4.336 20 0 GIADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000414730073 824029231 /nfs/dbraw/zinc/02/92/31/824029231.db2.gz RAFHASKLMSQCNL-GDBMZVCRSA-N 1 0 380.517 4.088 20 0 GIADRO O[C@H](C[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1)c1ccccc1C(F)(F)F ZINC000170988510 824029238 /nfs/dbraw/zinc/02/92/38/824029238.db2.gz UZCNHOFHECYQDL-WOJBJXKFSA-N 1 0 397.412 4.324 20 0 GIADRO CCCO[C@@H]1CCC[N@H+](CC(=O)N2CC[C@H](C)Sc3ccccc32)CC1 ZINC000170990139 824029537 /nfs/dbraw/zinc/02/95/37/824029537.db2.gz VRGULCTZXXOFQU-ZWKOTPCHSA-N 1 0 376.566 4.185 20 0 GIADRO O=C(c1ccc(F)cc1)N1CCCN(Cc2ccccc2C(F)(F)F)CC1 ZINC000192554991 824030153 /nfs/dbraw/zinc/03/01/53/824030153.db2.gz QUSREXNSFLNKQM-UHFFFAOYSA-N 1 0 380.385 4.193 20 0 GIADRO Cc1ccc(Cc2cnc(NC(=O)N3CCC[C@@H](CC[NH3+])C3)s2)cc1Cl ZINC000414733712 824030118 /nfs/dbraw/zinc/03/01/18/824030118.db2.gz KCISHNARADEZIS-AWEZNQCLSA-N 1 0 392.956 4.288 20 0 GIADRO O=C(c1ccc(F)cc1)N1CCCN(Cc2cc3ccccc3nc2Cl)CC1 ZINC000192555038 824030187 /nfs/dbraw/zinc/03/01/87/824030187.db2.gz LUUZHUBDEBLUHZ-UHFFFAOYSA-N 1 0 397.881 4.375 20 0 GIADRO C[C@H]1CCN(C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)C[C@H]1C[NH3+] ZINC000414734621 824030340 /nfs/dbraw/zinc/03/03/40/824030340.db2.gz WIHJOFPVKBJWNR-DOTOQJQBSA-N 1 0 394.544 4.336 20 0 GIADRO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H](c1ccccc1)C(CC)CC ZINC000414737476 824030705 /nfs/dbraw/zinc/03/07/05/824030705.db2.gz ZJTNUJPVOUYEOW-NRFANRHFSA-N 1 0 381.520 4.028 20 0 GIADRO C[C@H]([NH3+])c1ccc(CNC(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)cc1 ZINC000414736036 824030747 /nfs/dbraw/zinc/03/07/47/824030747.db2.gz MKWVZARPSQINIV-LBPRGKRZSA-N 1 0 380.414 4.113 20 0 GIADRO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@@H](c1ccccc1)C(CC)CC ZINC000414737479 824031216 /nfs/dbraw/zinc/03/12/16/824031216.db2.gz ZJTNUJPVOUYEOW-OAQYLSRUSA-N 1 0 381.520 4.028 20 0 GIADRO C[C@H]1CCN(C(=O)Nc2ccccc2-c2nc3ccccc3s2)C[C@@H]1C[NH3+] ZINC000414740623 824031571 /nfs/dbraw/zinc/03/15/71/824031571.db2.gz REUPPSOTOFDCLI-GJZGRUSLSA-N 1 0 380.517 4.412 20 0 GIADRO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CCC[C@@H]2c2cccc3ccccc32)cc1 ZINC000414758900 824033693 /nfs/dbraw/zinc/03/36/93/824033693.db2.gz VPBAMCSJVREREW-KSFYIVLOSA-N 1 0 387.483 4.162 20 0 GIADRO CCN(C(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1)[C@H](C)c1cc2ccccc2o1 ZINC000414760997 824033749 /nfs/dbraw/zinc/03/37/49/824033749.db2.gz ZQUKDJJJRJTROL-LSDHHAIUSA-N 1 0 379.460 4.001 20 0 GIADRO CC(C)COC[C@@H](NC(=O)NCc1ccccc1C[NH+]1CCCC1)c1ccco1 ZINC000171005414 824034270 /nfs/dbraw/zinc/03/42/70/824034270.db2.gz FBLLJVHETHBWTJ-OAQYLSRUSA-N 1 0 399.535 4.089 20 0 GIADRO CCCN(C(=O)C(=O)Nc1ccccc1C[NH2+]CC)[C@H](CC)c1ccccc1 ZINC000414771008 824034443 /nfs/dbraw/zinc/03/44/43/824034443.db2.gz OQVVRLAFBSKMED-OAQYLSRUSA-N 1 0 381.520 4.125 20 0 GIADRO CC(C)COC[C@@H](NC(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1ccco1 ZINC000171008002 824035741 /nfs/dbraw/zinc/03/57/41/824035741.db2.gz HYUCOPOMSFCPDK-OAQYLSRUSA-N 1 0 399.535 4.089 20 0 GIADRO CCOc1c(Br)cc(Cl)cc1NC(=O)N[C@H](C)CCCC[NH3+] ZINC000414782531 824035836 /nfs/dbraw/zinc/03/58/36/824035836.db2.gz XSEYKXBOVFICAV-SNVBAGLBSA-N 1 0 392.725 4.140 20 0 GIADRO Cc1ccc(C[C@@H]([NH2+]Cc2ccc3c(c2)sc(=O)n3C)c2ccccn2)cc1 ZINC000192574967 824036146 /nfs/dbraw/zinc/03/61/46/824036146.db2.gz NSKYTPWECQDBDP-HXUWFJFHSA-N 1 0 389.524 4.377 20 0 GIADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)Nc1cc(Cl)ccc1OCC(F)(F)F ZINC000414785180 824036283 /nfs/dbraw/zinc/03/62/83/824036283.db2.gz JECFNGPLTYGMTL-GWCFXTLKSA-N 1 0 379.810 4.015 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)Nc2ccc(OC(F)F)c(Cc3ccccc3)c2)CC[NH2+]1 ZINC000414789473 824036549 /nfs/dbraw/zinc/03/65/49/824036549.db2.gz OOOJCSKRZSEVKZ-KDOFPFPSSA-N 1 0 389.446 4.141 20 0 GIADRO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@@H](CC2CCCCC2)c2ccccc2)cc1 ZINC000414788433 824036586 /nfs/dbraw/zinc/03/65/86/824036586.db2.gz MMXXDUCLMRILJA-VGSWGCGISA-N 1 0 393.531 4.473 20 0 GIADRO Cc1cccc(C2(C(=O)NC3CC[NH+](Cc4cccnc4)CC3)CCCCC2)c1 ZINC000192578506 824036885 /nfs/dbraw/zinc/03/68/85/824036885.db2.gz UNQBAWYCRSBCPS-UHFFFAOYSA-N 1 0 391.559 4.373 20 0 GIADRO O=C(C1CC[NH+](C2CC2)CC1)N1CCCN(Cc2ccccc2)c2ccccc21 ZINC000192580045 824037093 /nfs/dbraw/zinc/03/70/93/824037093.db2.gz NIOCCDNMMBAYFA-UHFFFAOYSA-N 1 0 389.543 4.304 20 0 GIADRO O=C(Nc1ccccc1N1CCc2ccccc21)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414821051 824039611 /nfs/dbraw/zinc/03/96/11/824039611.db2.gz BPKVRXWNSPJENM-PMACEKPBSA-N 1 0 390.531 4.234 20 0 GIADRO Cc1ccccc1[C@H](NC(=O)C(=O)Nc1ccc(C[NH3+])cc1)[C@H]1CCC[C@H](C)C1 ZINC000414825232 824039939 /nfs/dbraw/zinc/03/99/39/824039939.db2.gz CAZVATNGYFROCY-XWFZLUIHSA-N 1 0 393.531 4.076 20 0 GIADRO CS(=O)(=O)C1CCC([NH2+]CCCCc2ccc(Cl)c(Cl)c2)CC1 ZINC000192591938 824040074 /nfs/dbraw/zinc/04/00/74/824040074.db2.gz ANEVHCXRSLNWSV-UHFFFAOYSA-N 1 0 378.365 4.262 20 0 GIADRO Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000414837341 824040785 /nfs/dbraw/zinc/04/07/85/824040785.db2.gz GUWIHPVENJUDMI-LJQANCHMSA-N 1 0 382.508 4.084 20 0 GIADRO Cc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000414851246 824041608 /nfs/dbraw/zinc/04/16/08/824041608.db2.gz NYPNVMUWDAUIGT-KRWDZBQOSA-N 1 0 383.540 4.071 20 0 GIADRO O=C(Nc1ccc2c(c1)C[NH2+]C2)C(=O)N1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000414849903 824041696 /nfs/dbraw/zinc/04/16/96/824041696.db2.gz YEXWGCGQALMYOC-HXUWFJFHSA-N 1 0 397.906 4.026 20 0 GIADRO CC(C)C[C@H](CN)[NH2+][C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414854238 824042687 /nfs/dbraw/zinc/04/26/87/824042687.db2.gz USPHTXAZSIQYJN-WCQYABFASA-N 1 0 379.854 4.039 20 0 GIADRO CCCCN(C(=O)C(=O)Nc1ccc(C[NH2+]C)cc1)[C@@H](CC)c1ccccc1 ZINC000414856647 824043002 /nfs/dbraw/zinc/04/30/02/824043002.db2.gz YVJNSBOAMUWYFQ-NRFANRHFSA-N 1 0 381.520 4.125 20 0 GIADRO Cc1cccc2nc(C[N@@H+]3CCC[C@H](c4nc(-c5ccc(F)cc5)no4)C3)cn21 ZINC000171038384 824044032 /nfs/dbraw/zinc/04/40/32/824044032.db2.gz KYMFYRQAANUEPA-KRWDZBQOSA-N 1 0 391.450 4.211 20 0 GIADRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000414883776 824044898 /nfs/dbraw/zinc/04/48/98/824044898.db2.gz DOSZLDZKWMCMEC-APWZRJJASA-N 1 0 395.507 4.278 20 0 GIADRO COc1ccc([C@H]2CC[NH2+]C[C@H]2NCc2cnc(-c3ccccc3)s2)cc1 ZINC000414884918 824045065 /nfs/dbraw/zinc/04/50/65/824045065.db2.gz OKPDKRHIBGRWFC-NHCUHLMSSA-N 1 0 379.529 4.054 20 0 GIADRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000414886704 824045367 /nfs/dbraw/zinc/04/53/67/824045367.db2.gz HQTQRIJOHSBTJR-KRWDZBQOSA-N 1 0 395.507 4.232 20 0 GIADRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)Nc1ccc(OC)cc1C(F)(F)F ZINC000414886750 824045444 /nfs/dbraw/zinc/04/54/44/824045444.db2.gz CXAGAIFFCDXARB-INIZCTEOSA-N 1 0 381.398 4.098 20 0 GIADRO Cc1nc(-c2cccnc2)nc(N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1C ZINC000575992755 824045697 /nfs/dbraw/zinc/04/56/97/824045697.db2.gz IVIFHPQTGPIEJI-VWLOTQADSA-N 1 0 399.542 4.258 20 0 GIADRO CCCCN(C(=O)C(=O)Nc1cccc(C[NH2+]CC)c1)[C@@H](C)c1ccccc1 ZINC000414891218 824046226 /nfs/dbraw/zinc/04/62/26/824046226.db2.gz WCWHSDZQSVSWPV-SFHVURJKSA-N 1 0 381.520 4.125 20 0 GIADRO O=C(Nc1cccc(CN[C@H]2CCC[NH2+]C2)c1)c1ccc(Cl)cc1Cl ZINC000414892031 824046430 /nfs/dbraw/zinc/04/64/30/824046430.db2.gz PEIIFKXRECPENX-INIZCTEOSA-N 1 0 378.303 4.087 20 0 GIADRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000414893831 824046665 /nfs/dbraw/zinc/04/66/65/824046665.db2.gz KLJSIRFYXGJJKC-JOCHJYFZSA-N 1 0 395.507 4.150 20 0 GIADRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000414892986 824046842 /nfs/dbraw/zinc/04/68/42/824046842.db2.gz QPWGWUOMSQJWDX-KXBFYZLASA-N 1 0 395.507 4.230 20 0 GIADRO COc1ccc(NC(=O)N(CCC[NH3+])Cc2ccccc2)c(C(F)(F)F)c1 ZINC000414902534 824048070 /nfs/dbraw/zinc/04/80/70/824048070.db2.gz YOQAPARLDWQKNV-UHFFFAOYSA-N 1 0 381.398 4.097 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)C[N@@H+](C)[C@@H]2CCCC[C@@H]2C)c(C(F)(F)F)c1 ZINC000192631502 824050885 /nfs/dbraw/zinc/05/08/85/824050885.db2.gz DRSXXFMKIXUTQZ-YVEFUNNKSA-N 1 0 385.430 4.113 20 0 GIADRO CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+][C@H](C)c1cccc(NC(C)=O)c1)CCC2 ZINC000192631843 824051388 /nfs/dbraw/zinc/05/13/88/824051388.db2.gz NRBIHHUVXPERDB-KDOFPFPSSA-N 1 0 384.476 4.451 20 0 GIADRO C[C@@H]([NH3+])c1ccc(CNC(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)cc1 ZINC000414929996 824051314 /nfs/dbraw/zinc/05/13/14/824051314.db2.gz AIKDLLCCUYVENL-DLBZAZTESA-N 1 0 394.519 4.043 20 0 GIADRO O=C(Nc1nc(-c2sccc2Br)cs1)C12CCC[NH+]1CCC2 ZINC000414935803 824051688 /nfs/dbraw/zinc/05/16/88/824051688.db2.gz WFQCLOPKTSZVIS-UHFFFAOYSA-N 1 0 398.351 4.201 20 0 GIADRO CCOc1c(OC)cc(CN[C@@H](C[NH3+])c2ccc3ccccc3c2)cc1OC ZINC000414939721 824052299 /nfs/dbraw/zinc/05/22/99/824052299.db2.gz JLICPYPANTVYOB-FQEVSTJZSA-N 1 0 380.488 4.045 20 0 GIADRO [NH3+]C[C@@H](NCc1ccc(OC[C@@H]2CCCO2)cc1)c1ccc2ccccc2c1 ZINC000414945456 824052785 /nfs/dbraw/zinc/05/27/85/824052785.db2.gz RPZUDOJAVKGSCL-BJKOFHAPSA-N 1 0 376.500 4.187 20 0 GIADRO C[C@@H]1C[C@H](NCc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)CC[NH2+]1 ZINC000414942423 824052803 /nfs/dbraw/zinc/05/28/03/824052803.db2.gz DKBZPDKBMUCDPX-CZUORRHYSA-N 1 0 392.330 4.476 20 0 GIADRO [NH3+]C[C@H](NCc1ccc(OC[C@@H]2CCCO2)cc1)c1ccc2ccccc2c1 ZINC000414945462 824052864 /nfs/dbraw/zinc/05/28/64/824052864.db2.gz RPZUDOJAVKGSCL-ZEQRLZLVSA-N 1 0 376.500 4.187 20 0 GIADRO Fc1cc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)ccc1OC(F)F ZINC000576028826 824053382 /nfs/dbraw/zinc/05/33/82/824053382.db2.gz XHGDVGMGBGMAHV-AOIWGVFYSA-N 1 0 377.406 4.432 20 0 GIADRO C[C@@H]([NH3+])c1ccc(NC(=O)Nc2ccc3c(c2)N(C(=O)C(C)(C)C)CCO3)cc1 ZINC000414962304 824054219 /nfs/dbraw/zinc/05/42/19/824054219.db2.gz CFGRLZRLLZGWJN-CQSZACIVSA-N 1 0 396.491 4.122 20 0 GIADRO C[C@H](CCCC[NH3+])NC(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1 ZINC000414966595 824055303 /nfs/dbraw/zinc/05/53/03/824055303.db2.gz OQUGDVKKJOAURS-CQSZACIVSA-N 1 0 394.947 4.042 20 0 GIADRO [NH3+]Cc1ccc(-c2noc(C3(c4cc(F)cc(C(F)(F)F)c4)CC3)n2)cc1 ZINC000576038554 824055911 /nfs/dbraw/zinc/05/59/11/824055911.db2.gz APHBZFYYELWBJT-UHFFFAOYSA-N 1 0 377.341 4.433 20 0 GIADRO COc1ccc([C@@H](O)[C@H]2CCC[N@@H+]2Cc2nnc(-c3ccccc3Cl)o2)cc1 ZINC000359978595 209209843 /nfs/dbraw/zinc/20/98/43/209209843.db2.gz OKXZBWPTVSDXCS-UYAOXDASSA-N 1 0 399.878 4.097 20 0 GIADRO C[C@@H](CC(C)(C)c1ccccc1)[NH2+]Cc1nnc2n1C[C@@H](C(F)(F)F)CC2 ZINC000359907151 209201779 /nfs/dbraw/zinc/20/17/79/209201779.db2.gz WVBDDXPQXGRCLQ-HOCLYGCPSA-N 1 0 380.458 4.249 20 0 GIADRO Cc1ccncc1C[NH+]1CCC2(C[C@H]2c2nnc(-c3cccc(F)c3)o2)CC1 ZINC000359878123 209198277 /nfs/dbraw/zinc/19/82/77/209198277.db2.gz XSFAKURCVQVDSO-IBGZPJMESA-N 1 0 378.451 4.349 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1csc2c1CC[C@H](C)C2 ZINC000006912282 212069594 /nfs/dbraw/zinc/06/95/94/212069594.db2.gz IHXXNKSCUSGDOC-HNNXBMFYSA-N 1 0 383.561 4.185 20 0 GIADRO COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCc2ccccn2)cc1 ZINC000024106075 210460646 /nfs/dbraw/zinc/46/06/46/210460646.db2.gz LKIXJYFIZJKBQJ-UHFFFAOYSA-N 1 0 384.483 4.275 20 0 GIADRO Cc1ccc(-c2cc(C(=O)N(Cc3ccccc3)C3CC[NH+](C)CC3)[nH]n2)cc1 ZINC000019718240 210289615 /nfs/dbraw/zinc/28/96/15/210289615.db2.gz CDIWHPSNDHTDQO-UHFFFAOYSA-N 1 0 388.515 4.122 20 0 GIADRO Fc1cc(C(F)(F)N2[C@@H](C(F)(F)F)CCC23CC[NH2+]CC3)cnc1Cl ZINC001164413714 718880284 /nfs/dbraw/zinc/88/02/84/718880284.db2.gz LEIOCUZFVGGGGR-LLVKDONJSA-N 1 0 387.755 4.072 20 0 GIADRO [NH3+][C@]12C[C@H]1CCN(C(F)(F)c1nc3cc(Cl)c(Cl)cc3nc1Cl)C2 ZINC001164422576 718895532 /nfs/dbraw/zinc/89/55/32/718895532.db2.gz WQLHLCKVPZVYLJ-UOWDBTKRSA-N 1 0 393.652 4.062 20 0 GIADRO Fc1ccc2nc(C(F)(F)N3CCCCC34CC[NH2+]CC4)nc(Cl)c2c1 ZINC001164419996 718910224 /nfs/dbraw/zinc/91/02/24/718910224.db2.gz FMFACEFULSHTPP-UHFFFAOYSA-N 1 0 384.833 4.080 20 0 GIADRO Fc1ccc(C(F)(F)N2CC[C@@]3(C[NH2+]C[C@H]3c3ccccc3)C2)nc1Cl ZINC001164627528 719044645 /nfs/dbraw/zinc/04/46/45/719044645.db2.gz VTMLETFOMHCUHX-KBXCAEBGSA-N 1 0 381.829 4.003 20 0 GIADRO Fc1ccc(Cl)nc1C(F)(F)N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164628718 719045627 /nfs/dbraw/zinc/04/56/27/719045627.db2.gz ZKKKSUIDQMFGTB-KDOFPFPSSA-N 1 0 381.829 4.003 20 0 GIADRO Cc1ccc(Cl)nc1C(F)(F)N1CC[C@@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164626598 719047129 /nfs/dbraw/zinc/04/71/29/719047129.db2.gz SHZFJUKTOYPDIS-QFBILLFUSA-N 1 0 377.866 4.172 20 0 GIADRO FC(F)(Sc1ccc(Cl)nc1)N1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164619266 719048833 /nfs/dbraw/zinc/04/88/33/719048833.db2.gz CFXWDBYRSNTUQJ-SJLPKXTDSA-N 1 0 395.906 4.457 20 0 GIADRO Cc1cc(Cl)nc(C(F)(F)N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164621972 719055786 /nfs/dbraw/zinc/05/57/86/719055786.db2.gz KJTFXWJFOUTCIU-DLBZAZTESA-N 1 0 392.881 4.084 20 0 GIADRO c1ccc(C[N@@H+]2C[C@@H]3CCCN(c4nccc(Oc5ccccc5)n4)[C@@H]3C2)cc1 ZINC001164619958 719066869 /nfs/dbraw/zinc/06/68/69/719066869.db2.gz DKJFKVXXPQUQMX-RBBKRZOGSA-N 1 0 386.499 4.370 20 0 GIADRO Clc1cc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c2cccnc2n1 ZINC001164628882 719075119 /nfs/dbraw/zinc/07/51/19/719075119.db2.gz UGOFDUKBSKIWFC-PXNSSMCTSA-N 1 0 378.907 4.384 20 0 GIADRO Clc1ccnc2cc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)ncc12 ZINC001164629514 719075976 /nfs/dbraw/zinc/07/59/76/719075976.db2.gz XUFZTVFASUCXHV-DYESRHJHSA-N 1 0 378.907 4.384 20 0 GIADRO CC(C)(C)OC(=O)c1ccc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1 ZINC001164623636 719077289 /nfs/dbraw/zinc/07/72/89/719077289.db2.gz KBPRBTUWRCGXKG-LEWJYISDSA-N 1 0 393.531 4.138 20 0 GIADRO Cc1nc2c(nc(Cl)nc2N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC001164622801 719081537 /nfs/dbraw/zinc/08/15/37/719081537.db2.gz IUWJXSDGZHTWMW-HOTGVXAUSA-N 1 0 399.951 4.149 20 0 GIADRO [NH3+]C1([C@@H]2CN(C(F)(F)c3cc(Cl)nc4c3CCCCC4)C[C@H]2CF)CC1 ZINC001164619153 719127452 /nfs/dbraw/zinc/12/74/52/719127452.db2.gz CMQNPRIOZHWDOJ-IUODEOHRSA-N 1 0 387.877 4.062 20 0 GIADRO Cc1nc(C[N@H+]2CCCC23CCN(c2cc(C(C)C)nc(C)n2)CC3)cs1 ZINC001164694359 719804253 /nfs/dbraw/zinc/80/42/53/719804253.db2.gz XRWZVOABDCQLCA-UHFFFAOYSA-N 1 0 385.581 4.308 20 0 GIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ncnc4ccc(F)cc42)CC3)cs1 ZINC001164692947 719804420 /nfs/dbraw/zinc/80/44/20/719804420.db2.gz QTLKTBUWMSGGRK-UHFFFAOYSA-N 1 0 397.523 4.169 20 0 GIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(C)c4cc[nH]c4n2)CC3)cs1 ZINC001164691292 719811442 /nfs/dbraw/zinc/81/14/42/719811442.db2.gz DSRGFNLCDPRDKO-UHFFFAOYSA-N 1 0 381.549 4.271 20 0 GIADRO Cc1cc2ccccc2nc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164696073 719888917 /nfs/dbraw/zinc/88/89/17/719888917.db2.gz WDULLZILSYJOKJ-UHFFFAOYSA-N 1 0 393.556 4.476 20 0 GIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(C)c3cccc(C)c3n1)C2 ZINC001164808597 720076431 /nfs/dbraw/zinc/07/64/31/720076431.db2.gz IHJWFLPOJBCULW-YKSBVNFPSA-N 1 0 379.548 4.036 20 0 GIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc3ccc(Cl)cc3n1)C2 ZINC001164811128 720137110 /nfs/dbraw/zinc/13/71/10/720137110.db2.gz LOJBYDJLJKLDKU-AVRDEDQJSA-N 1 0 385.939 4.073 20 0 GIADRO Fc1ccc2c(c1)cc(Cl)nc2N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164723172 720329398 /nfs/dbraw/zinc/32/93/98/720329398.db2.gz HILRLMJPIRVHQG-MOPGFXCFSA-N 1 0 382.870 4.276 20 0 GIADRO Fc1ccc2nc(Cl)cc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c2c1 ZINC001164729768 720358042 /nfs/dbraw/zinc/35/80/42/720358042.db2.gz XYGHZFOFSAEMDK-OALUTQOASA-N 1 0 382.870 4.276 20 0 GIADRO Clc1cnc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c(-c2ccccc2)n1 ZINC001164735032 720454829 /nfs/dbraw/zinc/45/48/29/720454829.db2.gz VBNUVXUTUYJSTA-RTBURBONSA-N 1 0 391.906 4.045 20 0 GIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H](O)[C@@H]2Cc2ccccc2)nc1 ZINC001164832565 720493610 /nfs/dbraw/zinc/49/36/10/720493610.db2.gz JRUQWUXLEJBVLV-VJBWXMMDSA-N 1 0 379.548 4.201 20 0 GIADRO Cc1cc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)nc2cc(Cl)ccc12 ZINC001164727980 720572846 /nfs/dbraw/zinc/57/28/46/720572846.db2.gz GWMXYYAMMHSWOP-UHFFFAOYSA-N 1 0 395.938 4.052 20 0 GIADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc3ccccc3n1)CC2 ZINC001164837625 720659790 /nfs/dbraw/zinc/65/97/90/720659790.db2.gz DLDLXCBOXRAWEZ-QFIPXVFZSA-N 1 0 387.527 4.495 20 0 GIADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncc(F)cc1Cl)CC2 ZINC001164845333 720683281 /nfs/dbraw/zinc/68/32/81/720683281.db2.gz YHYPUUCKEVZKSQ-SFHVURJKSA-N 1 0 389.902 4.134 20 0 GIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@]3(CCC(=O)N3)[C@H]2CC)nc1 ZINC001164849005 720757146 /nfs/dbraw/zinc/75/71/46/720757146.db2.gz RUKIRKLQLRMPBZ-VIZSFHNOSA-N 1 0 384.568 4.046 20 0 GIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3OCCC[C@@]3(COC)C2)nc1 ZINC001164847019 720829384 /nfs/dbraw/zinc/82/93/84/720829384.db2.gz HOYBMFAQRMOVDQ-GIWBLDEGSA-N 1 0 387.568 4.041 20 0 GIADRO CC(C)c1cc2c(ncnc2N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)s1 ZINC001164854596 720919422 /nfs/dbraw/zinc/91/94/22/720919422.db2.gz FYLXIRMFRRKKOS-HNNXBMFYSA-N 1 0 398.580 4.433 20 0 GIADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(Cl)cc(C(C)(C)C)n1)[C@@H]2C ZINC001164863426 720993349 /nfs/dbraw/zinc/99/33/49/720993349.db2.gz VIHHSBCXDFKINE-CQSZACIVSA-N 1 0 390.963 4.045 20 0 GIADRO Cc1c[nH]c2nc(Cl)cc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@H]3C)c12 ZINC001164859656 720997016 /nfs/dbraw/zinc/99/70/16/720997016.db2.gz KXSXQXAYEMHMFW-CQSZACIVSA-N 1 0 386.931 4.143 20 0 GIADRO Cc1ccc(C[NH+]2CCC3(CCN(c4ncnc5ncccc54)CC3)CC2)cc1 ZINC001164759840 721042484 /nfs/dbraw/zinc/04/24/84/721042484.db2.gz ADLXBPLLIZAZQE-UHFFFAOYSA-N 1 0 387.531 4.216 20 0 GIADRO CSc1cc(N2CCC3(CC2)CC[NH+](Cc2ccc(C)cc2)CC3)ncn1 ZINC001164759998 721042578 /nfs/dbraw/zinc/04/25/78/721042578.db2.gz SXULAUAMLGKSHU-UHFFFAOYSA-N 1 0 382.577 4.390 20 0 GIADRO C[N@H+](Cc1ccc(N2CCC[C@@]3(C[C@H](c4ccccc4)CO3)C2)nc1)C1CC1 ZINC001164772033 721060767 /nfs/dbraw/zinc/06/07/67/721060767.db2.gz OFLVRPCBHKNRHC-XUZZJYLKSA-N 1 0 377.532 4.219 20 0 GIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@H](CCN3C(=O)C(C)C)C2)nc1 ZINC001164888199 721467195 /nfs/dbraw/zinc/46/71/95/721467195.db2.gz FDQYJQNXWJNIIQ-YPAWHYETSA-N 1 0 398.595 4.102 20 0 GIADRO Cc1cccc2c1ccnc2N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164906939 721534985 /nfs/dbraw/zinc/53/49/85/721534985.db2.gz LZFYHBDCIOXAFY-AZUAARDMSA-N 1 0 377.463 4.024 20 0 GIADRO Cc1cccc2ccnc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c12 ZINC001164906520 721560649 /nfs/dbraw/zinc/56/06/49/721560649.db2.gz JRVUNEHZCKBGNQ-PZJWPPBQSA-N 1 0 377.463 4.024 20 0 GIADRO F[C@H](Oc1ccnc(Cl)c1)N1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001165014206 721767797 /nfs/dbraw/zinc/76/77/97/721767797.db2.gz FDASVHYGZVAMAI-FQEVSTJZSA-N 1 0 398.825 4.374 20 0 GIADRO Cc1cc2c(ncnc2N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)s1 ZINC001165023335 721798819 /nfs/dbraw/zinc/79/88/19/721798819.db2.gz JNEUQKSFGRDQAT-VDGAXYAQSA-N 1 0 393.560 4.132 20 0 GIADRO Cc1nc(C(C)C)cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165025799 721802196 /nfs/dbraw/zinc/80/21/96/721802196.db2.gz OYCGETGZFUSMNX-VCOUNFBDSA-N 1 0 379.552 4.040 20 0 GIADRO Cc1ccc2ncnc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c2c1 ZINC001165026333 721806211 /nfs/dbraw/zinc/80/62/11/721806211.db2.gz QSILOAVJIDCWLA-AVCGJXAMSA-N 1 0 387.531 4.070 20 0 GIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nccc4ccsc43)C[C@H]21 ZINC001165026932 721807585 /nfs/dbraw/zinc/80/75/85/721807585.db2.gz SPCWGFXANYVCBQ-DFQSSKMNSA-N 1 0 378.545 4.428 20 0 GIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nccc4ccsc43)C[C@@H]21 ZINC001165026934 721807759 /nfs/dbraw/zinc/80/77/59/721807759.db2.gz SPCWGFXANYVCBQ-YSIASYRMSA-N 1 0 378.545 4.428 20 0 GIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4c(n3)CCCC4)C[C@@H]21 ZINC001165026469 721809263 /nfs/dbraw/zinc/80/92/63/721809263.db2.gz QSGYZFKGTJPADI-IEIRFRATSA-N 1 0 376.548 4.092 20 0 GIADRO Cc1cc2ncnc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c2s1 ZINC001165024887 721820761 /nfs/dbraw/zinc/82/07/61/721820761.db2.gz KUICLRLRPXKJAW-ILZDJORESA-N 1 0 393.560 4.132 20 0 GIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cnc(-c4ccccc4)cn3)C[C@@H]21 ZINC001165024643 721823515 /nfs/dbraw/zinc/82/35/15/721823515.db2.gz KVEWGNQBAPFHDQ-JCTONOIOSA-N 1 0 399.542 4.276 20 0 GIADRO CSCc1ccc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc1 ZINC001165022191 721827727 /nfs/dbraw/zinc/82/77/27/721827727.db2.gz GQCVOZOOTAKBLQ-CEWLAPEOSA-N 1 0 382.577 4.077 20 0 GIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc3ccccc3n2)CC1 ZINC001165017398 721837593 /nfs/dbraw/zinc/83/75/93/721837593.db2.gz LHLWWWAJZMOSIG-UHFFFAOYSA-N 1 0 391.515 4.353 20 0 GIADRO Fc1cccc(Oc2nc(Cl)ncc2N2CC[NH+](C3CCCC3)CC2)c1 ZINC001165033407 721862232 /nfs/dbraw/zinc/86/22/32/721862232.db2.gz NEJOQLHYJYECEL-UHFFFAOYSA-N 1 0 376.863 4.126 20 0 GIADRO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1cc(-c2ccccc2)c2ccccc2n1 ZINC001164930547 721877352 /nfs/dbraw/zinc/87/73/52/721877352.db2.gz DEWCJBOVYPWAAP-RPWUZVMVSA-N 1 0 386.543 4.116 20 0 GIADRO C[NH+](C)[C@H]1CCCN(C(F)(F)c2nc(Cl)c3cc(Cl)ccc3n2)C1 ZINC001165035729 721888084 /nfs/dbraw/zinc/88/80/84/721888084.db2.gz PJZFNMCUVWCPBI-NSHDSACASA-N 1 0 375.250 4.012 20 0 GIADRO CN(CC1CC[NH+](C)CC1)C(F)(F)c1nc(Cl)c2cc(Cl)ccc2n1 ZINC001165041119 721932104 /nfs/dbraw/zinc/93/21/04/721932104.db2.gz YSNOUXDMEKGQSP-UHFFFAOYSA-N 1 0 389.277 4.260 20 0 GIADRO CSCc1nc2sc3c(c2c(N(C)CC2CC[NH+](C)CC2)n1)CCCC3 ZINC001165043464 721937074 /nfs/dbraw/zinc/93/70/74/721937074.db2.gz XUALGJUTCDVCCO-UHFFFAOYSA-N 1 0 390.622 4.211 20 0 GIADRO COCc1nc2scc(-c3ccccc3)c2c(N2CCC(C[NH+](C)C)CC2)n1 ZINC000498690507 721950261 /nfs/dbraw/zinc/95/02/61/721950261.db2.gz RHBWBTIZFIMWAC-UHFFFAOYSA-N 1 0 396.560 4.283 20 0 GIADRO C[NH+](C)CC1CCN(c2cnc(Cl)nc2Oc2ccc(Cl)cc2)CC1 ZINC001165042301 721951000 /nfs/dbraw/zinc/95/10/00/721951000.db2.gz HTXBEZXFONCYQI-UHFFFAOYSA-N 1 0 381.307 4.354 20 0 GIADRO Cc1ccc(-c2cc(C(F)(F)N3CCC(C[NH+](C)C)CC3)c(Cl)nn2)cc1 ZINC001165042843 721951570 /nfs/dbraw/zinc/95/15/70/721951570.db2.gz TVBQVQMMTQKMIF-UHFFFAOYSA-N 1 0 394.897 4.428 20 0 GIADRO C[NH+](C)CC1CCN(C(F)(F)c2cc(-c3ccccc3F)nnc2Cl)CC1 ZINC001165042299 721951716 /nfs/dbraw/zinc/95/17/16/721951716.db2.gz HSYSYEQYJYPOIL-UHFFFAOYSA-N 1 0 398.860 4.259 20 0 GIADRO FC(F)(c1cnc(Cl)nc1Cl)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001165046008 721965426 /nfs/dbraw/zinc/96/54/26/721965426.db2.gz GOIGUJFTOKAASO-LBPRGKRZSA-N 1 0 379.282 4.173 20 0 GIADRO FC(F)(c1nc(Cl)ncc1Cl)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001165049714 721967434 /nfs/dbraw/zinc/96/74/34/721967434.db2.gz VTVZUDMBWGUSGF-LBPRGKRZSA-N 1 0 379.282 4.173 20 0 GIADRO c1cn(Cc2ccccc2)c2ncnc(N3CCCC[C@H]3CC[NH+]3CCCC3)c12 ZINC001165050037 721971930 /nfs/dbraw/zinc/97/19/30/721971930.db2.gz YKYHNWUXBPXVQV-NRFANRHFSA-N 1 0 389.547 4.324 20 0 GIADRO FC(F)(c1cc(C2CC2)nnc1Cl)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001165048617 721975681 /nfs/dbraw/zinc/97/56/81/721975681.db2.gz JVESGKUHWIGRDI-OAHLLOKOSA-N 1 0 384.902 4.397 20 0 GIADRO COc1ccc(-c2ccc(N3CCCC[C@@H]3CC[NH+]3CCCC3)nn2)c(OC)c1 ZINC001165048833 721976984 /nfs/dbraw/zinc/97/69/84/721976984.db2.gz LQSGAPKNZOFLTG-GOSISDBHSA-N 1 0 396.535 4.006 20 0 GIADRO CC[NH+](CC)C1CCN(c2cc(F)ccc2Oc2ccc(Cl)nn2)CC1 ZINC001165053079 722005628 /nfs/dbraw/zinc/00/56/28/722005628.db2.gz HQMMLVRFQSRILO-UHFFFAOYSA-N 1 0 378.879 4.372 20 0 GIADRO CC[NH+](CC)C1CCN(C(F)(F)c2cc(-c3ccco3)nnc2Cl)CC1 ZINC001165052805 722005987 /nfs/dbraw/zinc/00/59/87/722005987.db2.gz BFMZOSRKTFDJOB-UHFFFAOYSA-N 1 0 384.858 4.246 20 0 GIADRO c1cc(-c2ccc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)nn2)cs1 ZINC001164962695 722023833 /nfs/dbraw/zinc/02/38/33/722023833.db2.gz QYFGRQRJVOQWMS-UHFFFAOYSA-N 1 0 391.544 4.093 20 0 GIADRO c1ccc2c(c1)[C@@H]1CN(c3ccc(C[NH+]4CCCC4)cn3)C[C@H]1[C@H]2OCC1CC1 ZINC001164978782 722171355 /nfs/dbraw/zinc/17/13/55/722171355.db2.gz SHEXWJYTGGQBQG-ARNLJNQMSA-N 1 0 389.543 4.379 20 0 GIADRO COc1ccc2ncnc(N3CCC[C@@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)c2c1 ZINC001164994682 722195847 /nfs/dbraw/zinc/19/58/47/722195847.db2.gz OZWWLAABYXGYAH-HSZRJFAPSA-N 1 0 392.478 4.022 20 0 GIADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2nc(Cl)nc4cnccc42)C3)c1 ZINC001164995797 722197252 /nfs/dbraw/zinc/19/72/52/722197252.db2.gz YAXKSXXWYDTPCG-OAQYLSRUSA-N 1 0 397.885 4.062 20 0 GIADRO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2cnc4ccc(F)cc4n2)C3)c1 ZINC001164992675 722197880 /nfs/dbraw/zinc/19/78/80/722197880.db2.gz APGOWQAKAUIGSB-JOCHJYFZSA-N 1 0 380.442 4.153 20 0 GIADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2ncnc4cccc(F)c42)C3)c1 ZINC001164994088 722201902 /nfs/dbraw/zinc/20/19/02/722201902.db2.gz FPJWWNGSRYIDDU-QFIPXVFZSA-N 1 0 380.442 4.153 20 0 GIADRO c1ccc(C[C@@H]2[C@H](OCC3CC3)CCN2c2ncccc2C[NH+]2CCCC2)cc1 ZINC001165005198 722271855 /nfs/dbraw/zinc/27/18/55/722271855.db2.gz FRINJMUISGWBQL-DNQXCXABSA-N 1 0 391.559 4.294 20 0 GIADRO COc1ccc(-c2csc(CNC(=O)N3CC[C@]4(C3)CCC[N@H+](C)C4)c2)cc1 ZINC000458478392 823045375 /nfs/dbraw/zinc/04/53/75/823045375.db2.gz CSVFQTVQDZMSNS-JOCHJYFZSA-N 1 0 399.560 4.051 20 0 GIADRO Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@@H](C)C1CCSCC1 ZINC000187339446 823045875 /nfs/dbraw/zinc/04/58/75/823045875.db2.gz DSSHBDFPMIUYMG-ZDUSSCGKSA-N 1 0 385.371 4.207 20 0 GIADRO C[C@@H](NC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)C(C)(C)C[NH+](C)C ZINC000175811693 823045964 /nfs/dbraw/zinc/04/59/64/823045964.db2.gz RMURHWSGTOHJFW-MRXNPFEDSA-N 1 0 382.508 4.037 20 0 GIADRO C[NH+](C)Cc1ccccc1C(=O)Nc1cccc(-n2cc(C(F)(F)F)cn2)c1 ZINC000570500309 823046903 /nfs/dbraw/zinc/04/69/03/823046903.db2.gz QUQZRCCRHIYNSJ-UHFFFAOYSA-N 1 0 388.393 4.205 20 0 GIADRO Cc1csc([C@@H](NC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)C2CC2)n1 ZINC000175824697 823048529 /nfs/dbraw/zinc/04/85/29/823048529.db2.gz DGFTWWVUMSQRHA-PXNSSMCTSA-N 1 0 398.576 4.209 20 0 GIADRO Clc1ccc(Cc2nnc(N3CCC[C@H]([NH+]4CCCC4)CC3)n2C2CC2)cc1 ZINC000570523175 823049503 /nfs/dbraw/zinc/04/95/03/823049503.db2.gz LAGASGWAYURCLR-IBGZPJMESA-N 1 0 399.970 4.312 20 0 GIADRO O=C(CC[N@H+]1CCC[C@H]1C[C@H](O)c1cccs1)Nc1ccccc1Cl ZINC000175830047 823049638 /nfs/dbraw/zinc/04/96/38/823049638.db2.gz QHKLFOZUYGGSQP-YOEHRIQHSA-N 1 0 378.925 4.318 20 0 GIADRO CSCc1cccc(CNC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000187364120 823050356 /nfs/dbraw/zinc/05/03/56/823050356.db2.gz HFQQVIYUWZLMKI-APWZRJJASA-N 1 0 375.582 4.002 20 0 GIADRO COc1cc([C@H](C)[NH2+]C[C@H]2CCN(c3ccc(Br)cc3)C2)ccn1 ZINC000570534266 823050674 /nfs/dbraw/zinc/05/06/74/823050674.db2.gz NJPZOWOXLMLZOZ-LSDHHAIUSA-N 1 0 390.325 4.030 20 0 GIADRO C[C@H]1CC(C)(C)CC[C@H]1NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458526670 823051129 /nfs/dbraw/zinc/05/11/29/823051129.db2.gz WJEVTZWABXKDLT-GOEBONIOSA-N 1 0 377.495 4.259 20 0 GIADRO COc1cccc(C[NH2+]C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c1 ZINC000187379846 823052804 /nfs/dbraw/zinc/05/28/04/823052804.db2.gz ZNZUSFAZDNDRRY-UHFFFAOYSA-N 1 0 392.421 4.108 20 0 GIADRO Cc1cc(Br)cc([C@@H](C)[NH2+]Cc2cccc3c2OCCCO3)c1O ZINC000187381078 823053133 /nfs/dbraw/zinc/05/31/33/823053133.db2.gz ZUBAGPSETFNOLO-CYBMUJFWSA-N 1 0 392.293 4.475 20 0 GIADRO COc1cc(C[N@H+](C[C@@H](O)c2ccc(F)cc2)C2CC2)ccc1OC(F)F ZINC000120729467 823053828 /nfs/dbraw/zinc/05/38/28/823053828.db2.gz JUFPWVLKXLQTEQ-QGZVFWFLSA-N 1 0 381.394 4.134 20 0 GIADRO CC(C)(C)[C@@H](NC(=O)NC1CC[NH+](C2CCC2)CC1)c1ccc(F)cc1F ZINC000458555050 823055226 /nfs/dbraw/zinc/05/52/26/823055226.db2.gz LTBKZHFFDUURPO-IBGZPJMESA-N 1 0 379.495 4.368 20 0 GIADRO CCCCCN(C)c1ccc(F)cc1C[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000570576977 823056463 /nfs/dbraw/zinc/05/64/63/823056463.db2.gz RBLAIGKVXSNDCC-NRFANRHFSA-N 1 0 378.532 4.222 20 0 GIADRO CCCC[C@H](C)N(CCCC)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000458564147 823056603 /nfs/dbraw/zinc/05/66/03/823056603.db2.gz ZJWRNTIUMASIFY-CEWLAPEOSA-N 1 0 381.605 4.145 20 0 GIADRO Cc1cc(C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)c(Cl)cc1F ZINC000120753649 823057496 /nfs/dbraw/zinc/05/74/96/823057496.db2.gz FOVOFXWXZUGMAY-UHFFFAOYSA-N 1 0 390.886 4.244 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(-c2ccccc2)o1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000120755214 823057863 /nfs/dbraw/zinc/05/78/63/823057863.db2.gz ISLKAFDJPKHQBE-KRWDZBQOSA-N 1 0 390.483 4.455 20 0 GIADRO CC[C@@H]([NH2+]Cc1cc(Br)cc(Br)c1N)c1ccncc1 ZINC000187410247 823057883 /nfs/dbraw/zinc/05/78/83/823057883.db2.gz FVCMDKPHRZCZBT-CQSZACIVSA-N 1 0 399.130 4.430 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(OCc2ccccc2F)nc1)c1ccc2c(c1)OCO2 ZINC000187409996 823057924 /nfs/dbraw/zinc/05/79/24/823057924.db2.gz GNVBQNJQMNYITC-OAHLLOKOSA-N 1 0 380.419 4.379 20 0 GIADRO Cc1cccnc1[C@H]([NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)C(C)C ZINC000120761885 823058967 /nfs/dbraw/zinc/05/89/67/823058967.db2.gz KSQLGDOWMGHPJK-WMLDXEAASA-N 1 0 383.319 4.423 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)NCc2ccc(Cl)s2)CC1 ZINC000175866708 823059418 /nfs/dbraw/zinc/05/94/18/823059418.db2.gz WALJCITVYAFFNS-UHFFFAOYSA-N 1 0 377.941 4.208 20 0 GIADRO CC1CC[NH+](C2CCC(NC(=O)NC[C@@H]3CSc4ccccc43)CC2)CC1 ZINC000458585570 823059592 /nfs/dbraw/zinc/05/95/92/823059592.db2.gz VUFRHWQVLREZPL-LMDPOFIKSA-N 1 0 387.593 4.218 20 0 GIADRO C[C@H](OCc1ccc(F)cc1)c1nc(-c2ccc(OCC[NH+](C)C)cc2)no1 ZINC000570596170 823059605 /nfs/dbraw/zinc/05/96/05/823059605.db2.gz UODHMSKHKPWFGK-HNNXBMFYSA-N 1 0 385.439 4.094 20 0 GIADRO CC(C)[C@H]1N(C(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)CC12CCCC2 ZINC000458584322 823059642 /nfs/dbraw/zinc/05/96/42/823059642.db2.gz UNFXJCFXADHSHZ-GHTZIAJQSA-N 1 0 384.568 4.217 20 0 GIADRO C[C@H](c1ccccc1C(F)(F)F)[C@H](C)NC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000458610047 823063335 /nfs/dbraw/zinc/06/33/35/823063335.db2.gz LWXWLICNZMOVFC-TWOQFEAHSA-N 1 0 397.485 4.325 20 0 GIADRO Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+](C)CCc1ccccn1 ZINC000120777653 823061904 /nfs/dbraw/zinc/06/19/04/823061904.db2.gz ZSZHLBYUWYZCQG-UHFFFAOYSA-N 1 0 385.309 4.013 20 0 GIADRO CC(C)[C@@H](Cc1ccccc1)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000187436460 823063397 /nfs/dbraw/zinc/06/33/97/823063397.db2.gz PZNDXGSHFNHDLI-HSZRJFAPSA-N 1 0 379.548 4.063 20 0 GIADRO OCCC[C@@H]([NH2+]Cc1ccc(OCc2ccccc2F)nc1)c1ccccc1 ZINC000187431096 823062376 /nfs/dbraw/zinc/06/23/76/823062376.db2.gz BQVDTMLMYPOMSP-JOCHJYFZSA-N 1 0 380.463 4.403 20 0 GIADRO Brc1ccc(N2CC[C@H](C[NH2+]C3CCC4(CCCO4)CC3)C2)cc1 ZINC000570616953 823062686 /nfs/dbraw/zinc/06/26/86/823062686.db2.gz DTLNUWXKMNKKQU-PPDQVPDSSA-N 1 0 393.369 4.357 20 0 GIADRO [NH3+][C@H]1CCc2ncc(NC(=O)N3CCCC[C@H]3c3ccc(Cl)cc3)cc2C1 ZINC000570616786 823062714 /nfs/dbraw/zinc/06/27/14/823062714.db2.gz KDCBEMRFMLYUAH-PXNSSMCTSA-N 1 0 384.911 4.310 20 0 GIADRO C[C@@H]1C[C@H](CCNC(=O)N2CC(C)(CC(F)(F)F)C2)C[N@@H+]1Cc1ccccc1 ZINC000458606955 823062878 /nfs/dbraw/zinc/06/28/78/823062878.db2.gz WZBCXAXDFIXKLM-AEFFLSMTSA-N 1 0 397.485 4.271 20 0 GIADRO C[N@@H+]1CC[C@@H](CNC(=O)N2CC(C(C)(C)C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000458613636 823063873 /nfs/dbraw/zinc/06/38/73/823063873.db2.gz JDZUUPZLIQRVPT-KBXCAEBGSA-N 1 0 381.923 4.159 20 0 GIADRO CC(C)c1ccc(OC2CCN(C(=O)c3ccc4c(c3)CC[NH2+]CC4)CC2)cc1 ZINC000570628964 823064351 /nfs/dbraw/zinc/06/43/51/823064351.db2.gz QOHNFUACWGMXEI-UHFFFAOYSA-N 1 0 392.543 4.182 20 0 GIADRO CN(C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000458618481 823064430 /nfs/dbraw/zinc/06/44/30/823064430.db2.gz UTTSWZWYLKUBRB-DHIUTWEWSA-N 1 0 392.547 4.276 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000458620916 823064850 /nfs/dbraw/zinc/06/48/50/823064850.db2.gz UJYSZLJARYZNAI-HNNXBMFYSA-N 1 0 377.426 4.239 20 0 GIADRO CC(=O)Nc1ccc2c(C[N@@H+]3CCC[C@H]3Cc3ccc(F)cc3)cc(=O)oc2c1 ZINC000055908734 823065843 /nfs/dbraw/zinc/06/58/43/823065843.db2.gz IDIMWDMXUPVORT-FQEVSTJZSA-N 1 0 394.446 4.098 20 0 GIADRO COc1ccc(C[C@H](C)[NH2+]C[C@@H](c2c(F)cccc2F)N(C)C)c(C)c1OC ZINC000570645110 823066020 /nfs/dbraw/zinc/06/60/20/823066020.db2.gz CMKJPYXIBQSERK-LIRRHRJNSA-N 1 0 392.490 4.114 20 0 GIADRO Cc1cc(Sc2ncccn2)ccc1NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000175895652 823066275 /nfs/dbraw/zinc/06/62/75/823066275.db2.gz QZDUVZUCGGEGDQ-KRWDZBQOSA-N 1 0 399.564 4.274 20 0 GIADRO CCOc1cccc2cc([C@@H](C)[NH2+]CCn3cc(Br)cn3)oc21 ZINC000570648103 823066816 /nfs/dbraw/zinc/06/68/16/823066816.db2.gz KICDFRPXQODULQ-GFCCVEGCSA-N 1 0 378.270 4.141 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)N1CCC([C@H]2CCCO2)CC1 ZINC000187457447 823066985 /nfs/dbraw/zinc/06/69/85/823066985.db2.gz NSAWAKDKPNCCOW-HSZRJFAPSA-N 1 0 399.579 4.163 20 0 GIADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@H](C)c1c(Cl)cccc1Cl ZINC000175900151 823067149 /nfs/dbraw/zinc/06/71/49/823067149.db2.gz RREIXFFQGXJANX-UGSOOPFHSA-N 1 0 387.351 4.006 20 0 GIADRO C[C@H](NC(=O)N1CC(c2ccc(Cl)cc2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000458641870 823068247 /nfs/dbraw/zinc/06/82/47/823068247.db2.gz WCLUSUFFOJALOZ-DOTOQJQBSA-N 1 0 375.944 4.102 20 0 GIADRO CC(C)[C@@H]([NH2+][C@@H](C)c1ccc(NS(C)(=O)=O)cc1)c1ccc(F)cc1F ZINC000120825982 823072077 /nfs/dbraw/zinc/07/20/77/823072077.db2.gz OOWBPFWDMCBYSV-ORAYPTAESA-N 1 0 382.476 4.384 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc(Oc2ccccc2)o1 ZINC000175908253 823069835 /nfs/dbraw/zinc/06/98/35/823069835.db2.gz PUVPPAKLZSHNCH-UHFFFAOYSA-N 1 0 391.471 4.384 20 0 GIADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000570671317 823070157 /nfs/dbraw/zinc/07/01/57/823070157.db2.gz CLGHIJKGDJQFDF-QZTJIDSGSA-N 1 0 384.524 4.355 20 0 GIADRO CC(C)[C@H]([NH2+][C@H](C)c1ccc(NS(C)(=O)=O)cc1)c1ccc(F)cc1F ZINC000120826126 823072193 /nfs/dbraw/zinc/07/21/93/823072193.db2.gz OOWBPFWDMCBYSV-YJYMSZOUSA-N 1 0 382.476 4.384 20 0 GIADRO CC(C)c1ccccc1NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000120827906 823072544 /nfs/dbraw/zinc/07/25/44/823072544.db2.gz UZWASFWSANNXMA-FQEVSTJZSA-N 1 0 381.520 4.088 20 0 GIADRO CCS[C@H]1CC[C@H](N(C)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000120830632 823073181 /nfs/dbraw/zinc/07/31/81/823073181.db2.gz HDFDLYZZYSKJAM-PMACEKPBSA-N 1 0 375.582 4.098 20 0 GIADRO C[C@@H](Cc1cccc(F)c1)N(C)C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000458681324 823073349 /nfs/dbraw/zinc/07/33/49/823073349.db2.gz NSRWQVLIPMWENV-IPJJNNNSSA-N 1 0 397.538 4.309 20 0 GIADRO Cc1cnc([C@@H]([NH2+]C[C@H](O)c2ccc(F)c(Br)c2)C2CC2)s1 ZINC000187488657 823073749 /nfs/dbraw/zinc/07/37/49/823073749.db2.gz WNSPCOLCLPWFNB-GJZGRUSLSA-N 1 0 385.302 4.127 20 0 GIADRO O=C(CCc1ccc2[nH]ccc2c1)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000570707487 823074057 /nfs/dbraw/zinc/07/40/57/823074057.db2.gz SQPZOQVTZFWACL-RUZDIDTESA-N 1 0 387.527 4.225 20 0 GIADRO COc1ccc(C[C@@H](C)[NH2+]Cc2nc3cccc(Cl)c3n2C)c(C)c1OC ZINC000570705744 823074120 /nfs/dbraw/zinc/07/41/20/823074120.db2.gz HPZLHKSFCWRYLU-CYBMUJFWSA-N 1 0 387.911 4.273 20 0 GIADRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1ccc(N(C)C)cc1F ZINC000120840556 823074567 /nfs/dbraw/zinc/07/45/67/823074567.db2.gz LTRNEJGYMUAYPZ-UHFFFAOYSA-N 1 0 387.524 4.001 20 0 GIADRO O=C(Nc1ccc2c(c1)C[NH2+]CC2)N1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000570710049 823074832 /nfs/dbraw/zinc/07/48/32/823074832.db2.gz BSLXBSOGKMZRSC-UHFFFAOYSA-N 1 0 396.560 4.079 20 0 GIADRO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)N1C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000458694132 823075304 /nfs/dbraw/zinc/07/53/04/823075304.db2.gz RPXFDXKHQDXTRU-DAYGRLMNSA-N 1 0 385.474 4.052 20 0 GIADRO Cc1c([C@@H](C)N[C@@H](C[NH+]2CCCC2)c2ccccc2)nnn1-c1ccc(F)cc1 ZINC000120844282 823075316 /nfs/dbraw/zinc/07/53/16/823075316.db2.gz ROCCMCDOVLLMNV-VGSWGCGISA-N 1 0 393.510 4.203 20 0 GIADRO C[C@@H](NC(=O)N1CC(c2ccc(Cl)cc2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000458701350 823075999 /nfs/dbraw/zinc/07/59/99/823075999.db2.gz ZKUILWPARLCABA-XLIONFOSSA-N 1 0 397.950 4.359 20 0 GIADRO Fc1ccc(OCc2noc([C@@]34CCC[C@@H]3C[N@H+](Cc3ccccc3)C4)n2)cc1 ZINC000570723814 823076100 /nfs/dbraw/zinc/07/61/00/823076100.db2.gz BVIYPIZLMLKLAB-WZONZLPQSA-N 1 0 393.462 4.341 20 0 GIADRO Cc1ccc(NC(=O)c2ccc(C(=O)NCC(C)(C)C)cc2)c(C[NH+](C)C)c1 ZINC000120849162 823076124 /nfs/dbraw/zinc/07/61/24/823076124.db2.gz FOWNJSOXCVQDDF-UHFFFAOYSA-N 1 0 381.520 4.085 20 0 GIADRO CC[N@H+](CCNC(=O)N[C@H]1CCCC[C@H]1CC(F)(F)F)CCC(F)(F)F ZINC000458704435 823076423 /nfs/dbraw/zinc/07/64/23/823076423.db2.gz AQEHPQJQRAZLBS-STQMWFEESA-N 1 0 391.400 4.071 20 0 GIADRO Cc1nc2ccccc2n1CC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000056042528 823081492 /nfs/dbraw/zinc/08/14/92/823081492.db2.gz RCTHJHVIUOZDPU-UHFFFAOYSA-N 1 0 376.504 4.012 20 0 GIADRO CC(=O)Nc1cc(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)ccc1C ZINC000056042526 823081543 /nfs/dbraw/zinc/08/15/43/823081543.db2.gz CHBKDLYKVQPUEC-UHFFFAOYSA-N 1 0 379.504 4.234 20 0 GIADRO C=Cn1cc(C[NH2+]C[C@@H]2CCCN(C)[C@H]2c2ccc(C(F)(F)F)cc2)cn1 ZINC000570734152 823078222 /nfs/dbraw/zinc/07/82/22/823078222.db2.gz PNBZDNXWVUUYFL-HKUYNNGSSA-N 1 0 378.442 4.175 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)Cc2csc(-c3ccoc3)n2)CC1 ZINC000120859962 823078435 /nfs/dbraw/zinc/07/84/35/823078435.db2.gz LZTBSEUPDYARSN-MRXNPFEDSA-N 1 0 395.528 4.287 20 0 GIADRO CC1(C)OCc2cc(C[N@@H+]3CCC[C@H](n4ccc(C(F)(F)F)n4)C3)ccc2O1 ZINC000187514167 823078699 /nfs/dbraw/zinc/07/86/99/823078699.db2.gz BYPIIEDWOKRFTD-INIZCTEOSA-N 1 0 395.425 4.384 20 0 GIADRO CC1(C)OCc2cc(C[NH2+]CCCCC(=O)OCc3ccccc3)ccc2O1 ZINC000187513212 823078717 /nfs/dbraw/zinc/07/87/17/823078717.db2.gz LQUWXSQCVMINQJ-UHFFFAOYSA-N 1 0 383.488 4.335 20 0 GIADRO C[C@@H]1CCCC[C@@]1(C)NC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000458726879 823078840 /nfs/dbraw/zinc/07/88/40/823078840.db2.gz DBZDOXZAZYOTBY-DVUZTRGUSA-N 1 0 375.479 4.060 20 0 GIADRO CC1(C)OCc2cc(C[NH2+]CCCc3nc(-c4ccc(F)cc4)no3)ccc2O1 ZINC000187515234 823078954 /nfs/dbraw/zinc/07/89/54/823078954.db2.gz ZXIIHZNVNOHRKZ-UHFFFAOYSA-N 1 0 397.450 4.243 20 0 GIADRO CC[NH+]1CCC(CNC(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)CC1 ZINC000570742806 823079418 /nfs/dbraw/zinc/07/94/18/823079418.db2.gz BZRHSOXYDXBILG-UHFFFAOYSA-N 1 0 395.507 4.184 20 0 GIADRO 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 823080185 /nfs/dbraw/zinc/08/01/85/823080185.db2.gz NEJCSJSEBWVJJJ-OGWHTMIXSA-N 1 0 397.485 4.269 20 0 GIADRO Cc1nc(CCCC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)cs1 ZINC000175949032 823080204 /nfs/dbraw/zinc/08/02/04/823080204.db2.gz BASDLUIKEGSPHW-UHFFFAOYSA-N 1 0 389.590 4.004 20 0 GIADRO CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000056043081 823081383 /nfs/dbraw/zinc/08/13/83/823081383.db2.gz GBKLUIWOKAVQSL-UHFFFAOYSA-N 1 0 397.567 4.084 20 0 GIADRO CCOc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(Oc3cnccn3)cc1)CCO2 ZINC000187548972 823086700 /nfs/dbraw/zinc/08/67/00/823086700.db2.gz UFDHKLPVAWKYSJ-FQEVSTJZSA-N 1 0 377.444 4.281 20 0 GIADRO Cc1n[nH]c(C)c1CCC(=O)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000175976254 823086682 /nfs/dbraw/zinc/08/66/82/823086682.db2.gz MTNZWOPPOVEBSB-UHFFFAOYSA-N 1 0 394.563 4.006 20 0 GIADRO COc1cc(C[NH2+]CC(C)(C)c2ncccc2C)ccc1OCC(F)(F)F ZINC000570764176 823083123 /nfs/dbraw/zinc/08/31/23/823083123.db2.gz PGAVGGGHKOIZKQ-UHFFFAOYSA-N 1 0 382.426 4.407 20 0 GIADRO COc1cccc2[nH]cc(CC[NH2+][C@@H](C)c3ncc(Br)cc3F)c21 ZINC000187531568 823083177 /nfs/dbraw/zinc/08/31/77/823083177.db2.gz XTLQKIFAWNNMOQ-NSHDSACASA-N 1 0 392.272 4.366 20 0 GIADRO C[C@H](NC(=O)NC(C)(C)CCC[NH+](C)C)c1ccc(Br)cc1F ZINC000458769099 823083521 /nfs/dbraw/zinc/08/35/21/823083521.db2.gz JRLJXDPNVHINPD-LBPRGKRZSA-N 1 0 388.325 4.069 20 0 GIADRO Brc1ccccc1-c1ccc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)s1 ZINC000187534793 823083932 /nfs/dbraw/zinc/08/39/32/823083932.db2.gz FQRKTTSOFNTYIB-SFHVURJKSA-N 1 0 394.334 4.169 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccccc2Cc2ccccc2)C[C@H]1C ZINC000570773858 823085221 /nfs/dbraw/zinc/08/52/21/823085221.db2.gz WGZCJSOPOFSQFR-KNQAVFIVSA-N 1 0 379.548 4.021 20 0 GIADRO COc1cc(C[N@@H+]2CCCN3c4ccccc4C[C@H]3C2)c(SC)cc1OC ZINC000570773716 823085252 /nfs/dbraw/zinc/08/52/52/823085252.db2.gz DRAVWWYJKAFBSB-SFHVURJKSA-N 1 0 384.545 4.063 20 0 GIADRO FC(F)(F)c1cnc(N2CC[C@H]([NH2+]Cc3ccc4c(n3)CCC4)C2)c(Cl)c1 ZINC000570779075 823086323 /nfs/dbraw/zinc/08/63/23/823086323.db2.gz UJFGSCQKBRCQRM-HNNXBMFYSA-N 1 0 396.844 4.006 20 0 GIADRO C[C@@H](NC(=O)[C@H](C)[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)c1ccc2ccccc2c1 ZINC000570782119 823086478 /nfs/dbraw/zinc/08/64/78/823086478.db2.gz KREMHEDVZVDIER-PEYIGDRISA-N 1 0 380.532 4.199 20 0 GIADRO C[C@H]([NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)C(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000570782121 823086528 /nfs/dbraw/zinc/08/65/28/823086528.db2.gz KREMHEDVZVDIER-ULAMTYHHSA-N 1 0 380.532 4.199 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(F)c1)c1ccc(OCc2cccnc2)cc1 ZINC000056144353 823087503 /nfs/dbraw/zinc/08/75/03/823087503.db2.gz JCCHJYFPBDJTCN-SJORKVTESA-N 1 0 393.462 4.478 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)NC1CCC(C)CC1)c1ccc(OCc2cccnc2)cc1 ZINC000056144287 823087539 /nfs/dbraw/zinc/08/75/39/823087539.db2.gz XMJFQDBRFCFZEC-KLOMGHIOSA-N 1 0 395.547 4.395 20 0 GIADRO CC(=O)Nc1ccc(C)c(NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000187555451 823087725 /nfs/dbraw/zinc/08/77/25/823087725.db2.gz XHOQYYBOHZNICD-UHFFFAOYSA-N 1 0 379.504 4.194 20 0 GIADRO COc1ccc(CN[C@@H](C)C[NH+]2CCCCCC2)cc1OCc1cccnc1 ZINC000187564592 823089140 /nfs/dbraw/zinc/08/91/40/823089140.db2.gz QLZGUJUPAFCNES-IBGZPJMESA-N 1 0 383.536 4.023 20 0 GIADRO COc1ccccc1C[C@H](C)N(Cc1ccccc1)C(=O)c1coc(C[NH3+])c1 ZINC000187564593 823089168 /nfs/dbraw/zinc/08/91/68/823089168.db2.gz OCIONXBMWDBBGJ-KRWDZBQOSA-N 1 0 378.472 4.021 20 0 GIADRO C[NH+](C)C[C@H](NC(=O)NCc1ccc(C(C)(F)F)cc1)c1ccc(F)cc1 ZINC000458806634 823089292 /nfs/dbraw/zinc/08/92/92/823089292.db2.gz CDDDAIFSWGDGNN-SFHVURJKSA-N 1 0 379.426 4.040 20 0 GIADRO CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000056153022 823089663 /nfs/dbraw/zinc/08/96/63/823089663.db2.gz MDSADAHCEXRFHK-IRXDYDNUSA-N 1 0 381.520 4.283 20 0 GIADRO Cc1ccc(-c2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2C2CC2)cc1F ZINC000570809618 823089857 /nfs/dbraw/zinc/08/98/57/823089857.db2.gz BVZZDHFPJGKVMM-UHFFFAOYSA-N 1 0 385.531 4.284 20 0 GIADRO CC1(C)CCN(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)C1 ZINC000175990282 823090127 /nfs/dbraw/zinc/09/01/27/823090127.db2.gz VZLMWJCNYVVYPC-UHFFFAOYSA-N 1 0 386.540 4.155 20 0 GIADRO O=C(/C=C/c1ccccc1Cl)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000120944175 823090512 /nfs/dbraw/zinc/09/05/12/823090512.db2.gz IZCKDHGDMNSNGD-CMDGGOBGSA-N 1 0 384.907 4.196 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)N[C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000458817472 823091238 /nfs/dbraw/zinc/09/12/38/823091238.db2.gz QDZYUMMHLPPLBI-JCNLHEQBSA-N 1 0 396.373 4.115 20 0 GIADRO C[NH+](C)CCCC1CCN(C(=O)NCC[C@H](c2ccccc2)C(F)(F)F)CC1 ZINC000458823882 823092645 /nfs/dbraw/zinc/09/26/45/823092645.db2.gz XQWBKNKOIFVLMJ-LJQANCHMSA-N 1 0 399.501 4.486 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2cccc(OC(C)C)c2)c1 ZINC000056156804 823091730 /nfs/dbraw/zinc/09/17/30/823091730.db2.gz XIQBVWQUVBGZAL-CVEARBPZSA-N 1 0 383.492 4.110 20 0 GIADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCC[C@H](c1ccccc1)C(F)(F)F ZINC000458820318 823091847 /nfs/dbraw/zinc/09/18/47/823091847.db2.gz QPIHJGRKWJTXTF-MAUKXSAKSA-N 1 0 385.474 4.094 20 0 GIADRO COc1ccc(OC)c(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cccc(OC(C)C)c2)c1 ZINC000056156956 823091924 /nfs/dbraw/zinc/09/19/24/823091924.db2.gz HYXZPWOGDJKHPX-HZPDHXFCSA-N 1 0 386.492 4.169 20 0 GIADRO C[C@H]([NH2+][C@H]1CCC[C@H](N2CCCC2=O)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000570828009 823092677 /nfs/dbraw/zinc/09/26/77/823092677.db2.gz SEOWRNDHPKJAEN-XIRDDKMYSA-N 1 0 384.442 4.212 20 0 GIADRO Cc1cc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)c(C)n1-c1nccs1 ZINC000120956245 823092885 /nfs/dbraw/zinc/09/28/85/823092885.db2.gz SYCNJDQMIJBLTA-UHFFFAOYSA-N 1 0 380.517 4.399 20 0 GIADRO O[C@H](C[NH2+]Cc1cccc(C(F)(F)F)c1)COc1cccc2ccccc21 ZINC000570830867 823092993 /nfs/dbraw/zinc/09/29/93/823092993.db2.gz WQQREUCGLIPOIY-GOSISDBHSA-N 1 0 375.390 4.388 20 0 GIADRO O=C(CC[NH2+][C@@H]1CCO[C@@H](C2CC2)C1)Nc1ccc(Oc2ccccc2)cc1 ZINC000570836185 823093489 /nfs/dbraw/zinc/09/34/89/823093489.db2.gz CJEITAZBDDIZMK-DENIHFKCSA-N 1 0 380.488 4.355 20 0 GIADRO C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000120963154 823093871 /nfs/dbraw/zinc/09/38/71/823093871.db2.gz UDHUAQNVKDWSPU-JLHGSKIFSA-N 1 0 397.494 4.301 20 0 GIADRO C[C@H](C[C@@H](O)c1ccc(F)cc1)[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000120963465 823093875 /nfs/dbraw/zinc/09/38/75/823093875.db2.gz UDHUAQNVKDWSPU-HYFFOGBASA-N 1 0 397.494 4.301 20 0 GIADRO Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000570843210 823094114 /nfs/dbraw/zinc/09/41/14/823094114.db2.gz OLEPAFOACGPMTK-OXJNMPFZSA-N 1 0 375.472 4.043 20 0 GIADRO C[C@H](CCNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C)c1cccc(C(F)(F)F)c1 ZINC000120965587 823094173 /nfs/dbraw/zinc/09/41/73/823094173.db2.gz RKRZQHIBPSZYIH-RKVPGOIHSA-N 1 0 385.474 4.181 20 0 GIADRO C[C@@H]1[C@@H](NC(=O)N(CCC(F)(F)F)CC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000570841395 823094244 /nfs/dbraw/zinc/09/42/44/823094244.db2.gz AFIMTYSTGDPYKM-QAPCUYQASA-N 1 0 383.458 4.023 20 0 GIADRO C[NH+](C)CCCCC(=O)N[C@H]1CCN(C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000570845166 823094650 /nfs/dbraw/zinc/09/46/50/823094650.db2.gz GJTJULNBVUNRAB-AZUAARDMSA-N 1 0 397.966 4.241 20 0 GIADRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]Cc1nc(C(C)(C)NC(=O)OC(C)(C)C)no1 ZINC000120968692 823094748 /nfs/dbraw/zinc/09/47/48/823094748.db2.gz GIIRHMKDOGIJEE-ZIAGYGMSSA-N 1 0 380.533 4.134 20 0 GIADRO Cc1cc(C(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c(C)n1CC(F)(F)F ZINC000056168478 823094750 /nfs/dbraw/zinc/09/47/50/823094750.db2.gz SAUXQEQULMEELY-YJBOKZPZSA-N 1 0 393.453 4.233 20 0 GIADRO COCCCCN(Cc1ccccc1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000176008840 823095013 /nfs/dbraw/zinc/09/50/13/823095013.db2.gz LMTCKWOSLUHKHB-UHFFFAOYSA-N 1 0 387.568 4.032 20 0 GIADRO CCSc1cccnc1C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000570852356 823095572 /nfs/dbraw/zinc/09/55/72/823095572.db2.gz VGAMPXOYTVUBDA-INIZCTEOSA-N 1 0 389.590 4.158 20 0 GIADRO CCCN(C(=O)NCc1c(C)onc1CC)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000458838397 823095672 /nfs/dbraw/zinc/09/56/72/823095672.db2.gz HZLYFCGWICDQBZ-FQEVSTJZSA-N 1 0 398.551 4.132 20 0 GIADRO C[N@H+](Cc1ccccn1)[C@H]1CCCN(C(=O)NC[C@@H]2C[C@H]2C2CCCCC2)CC1 ZINC000458839882 823095814 /nfs/dbraw/zinc/09/58/14/823095814.db2.gz RZBSTAJMBHZWIG-PMVMPFDFSA-N 1 0 398.595 4.294 20 0 GIADRO CN(C)c1cccc([C@@H]2CCCN2C(=O)NC2CC[NH+](C3CCCC3)CC2)c1 ZINC000176014439 823095991 /nfs/dbraw/zinc/09/59/91/823095991.db2.gz XNBILGPAFMOIMZ-QFIPXVFZSA-N 1 0 384.568 4.006 20 0 GIADRO CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)NCCCCC[NH+]1CCCC1 ZINC000458842572 823096525 /nfs/dbraw/zinc/09/65/25/823096525.db2.gz GVXTVCLBXSSRPY-NRFANRHFSA-N 1 0 397.567 4.169 20 0 GIADRO CN1CC[C@H]([NH2+]Cc2nc3ccc(F)cc3o2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000570857137 823096556 /nfs/dbraw/zinc/09/65/56/823096556.db2.gz CJSIGFMIUJVXSV-LPHOPBHVSA-N 1 0 377.822 4.294 20 0 GIADRO COCCN(C)c1ccc(C[NH+]2CCC([C@H](F)c3ccccc3F)CC2)cn1 ZINC000570858451 823097021 /nfs/dbraw/zinc/09/70/21/823097021.db2.gz XRNBQRWYEFUZLK-QFIPXVFZSA-N 1 0 389.490 4.226 20 0 GIADRO CCOc1ccc(OCC)c(NC(=O)[C@@H]2C[NH2+]C[C@H]2c2ccc(Cl)cc2)c1 ZINC000570859981 823097279 /nfs/dbraw/zinc/09/72/79/823097279.db2.gz RSCMCDCGSZUCMQ-ZWKOTPCHSA-N 1 0 388.895 4.079 20 0 GIADRO Cc1nc(C(C)C)sc1[C@@H](C)N(C)CC(=O)NCc1cc(F)cc(F)c1 ZINC000120992850 823098815 /nfs/dbraw/zinc/09/88/15/823098815.db2.gz WSDVPYWGYAUHQB-CYBMUJFWSA-N 1 0 381.492 4.162 20 0 GIADRO CC[NH+](CC)C[C@H]1CCN(C(=O)C2(c3cc(F)cc(C(F)(F)F)c3)CC2)C1 ZINC000187621008 823099144 /nfs/dbraw/zinc/09/91/44/823099144.db2.gz YSOMMUWOCDXGOB-CQSZACIVSA-N 1 0 386.433 4.066 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1)C(=O)NC(C)(C)C ZINC000056207184 823103255 /nfs/dbraw/zinc/10/32/55/823103255.db2.gz UZMDDCFFGULGGT-LSDHHAIUSA-N 1 0 385.483 4.032 20 0 GIADRO CN(CC[N@H+](C)C1CC1)C(=O)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F ZINC000187625931 823100195 /nfs/dbraw/zinc/10/01/95/823100195.db2.gz FIMJYZNMJPKCRB-AWEZNQCLSA-N 1 0 397.363 4.044 20 0 GIADRO Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H](c2ccco2)N2CCCCC2)c(C)c1 ZINC000121000827 823100540 /nfs/dbraw/zinc/10/05/40/823100540.db2.gz JFMDTXGIKJXWAQ-FPOVZHCZSA-N 1 0 383.536 4.430 20 0 GIADRO COc1ccc(C[NH2+]C[C@@H](c2ccc(OC(C)C)cc2)N(C)C)c(C)c1OC ZINC000570881733 823101146 /nfs/dbraw/zinc/10/11/46/823101146.db2.gz SAARMPZAEOPTSL-NRFANRHFSA-N 1 0 386.536 4.192 20 0 GIADRO COc1cccc(COC[C@H](O)C[N@@H+]2CCCC[C@@H]2c2cc3ccccc3[nH]2)c1 ZINC000121017167 823103461 /nfs/dbraw/zinc/10/34/61/823103461.db2.gz CAQGXQVYBYODAA-HYBUGGRVSA-N 1 0 394.515 4.281 20 0 GIADRO C[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C)c1cc(F)c(Cl)cc1Cl ZINC000176040067 823103764 /nfs/dbraw/zinc/10/37/64/823103764.db2.gz XEPSTRGTCBXVOF-GDLVEWKHSA-N 1 0 376.303 4.175 20 0 GIADRO CSc1ccc([C@H](CNC(=O)NC(C)(C)c2ncc(C)s2)[NH+](C)C)cc1 ZINC000458901979 823103777 /nfs/dbraw/zinc/10/37/77/823103777.db2.gz SELSFHLXUMRUTN-INIZCTEOSA-N 1 0 392.594 4.011 20 0 GIADRO CSc1ccc([C@@H](CNC(=O)N2CC(C)(C)[C@@H]2c2ccncc2)[NH+](C)C)cc1 ZINC000458901455 823103924 /nfs/dbraw/zinc/10/39/24/823103924.db2.gz RWTDROSIAAPIMN-UXHICEINSA-N 1 0 398.576 4.199 20 0 GIADRO CSC1(CNC(=O)N[C@@H](CC2CCCC2)c2ccccc2)CC[NH+](C)CC1 ZINC000570894184 823104108 /nfs/dbraw/zinc/10/41/08/823104108.db2.gz FISZEALLPNCONA-FQEVSTJZSA-N 1 0 389.609 4.435 20 0 GIADRO O=C(Nc1ccc(-c2cccc(C(F)(F)F)c2)cn1)[C@@H]1CC12CC[NH2+]CC2 ZINC000570925379 823108430 /nfs/dbraw/zinc/10/84/30/823108430.db2.gz VPFKPPHJNDULAK-INIZCTEOSA-N 1 0 375.394 4.096 20 0 GIADRO O=C(N[C@H](c1ccc(F)cc1)C(F)(F)F)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000570898932 823104817 /nfs/dbraw/zinc/10/48/17/823104817.db2.gz NLMBWXMLOXPXDE-DLBZAZTESA-N 1 0 387.421 4.089 20 0 GIADRO CSc1ccc([C@@H](CNC(=O)N(Cc2cccs2)C2CC2)[NH+](C)C)cc1 ZINC000458908364 823105118 /nfs/dbraw/zinc/10/51/18/823105118.db2.gz XIVSJTQZDDNKLO-LJQANCHMSA-N 1 0 389.590 4.447 20 0 GIADRO Cc1cccc2nc(C3CCN(C(=O)NC4CC[NH+](C(C)(C)C)CC4)CC3)oc21 ZINC000187655171 823106301 /nfs/dbraw/zinc/10/63/01/823106301.db2.gz CUQZNCQISBETQR-UHFFFAOYSA-N 1 0 398.551 4.288 20 0 GIADRO CC1CC[NH+](C[C@H]2CCCN(C(=O)NC[C@@H]3CSc4ccccc43)C2)CC1 ZINC000458921835 823106597 /nfs/dbraw/zinc/10/65/97/823106597.db2.gz RXKCLXRGQYGWDA-RTBURBONSA-N 1 0 387.593 4.029 20 0 GIADRO COc1ccccc1C[C@H](C)[NH2+][C@H]1CCCN([C@@H](C)c2ccccc2F)C1=O ZINC000570914235 823106897 /nfs/dbraw/zinc/10/68/97/823106897.db2.gz QYRKDMXSRYYNHC-FIKGOQFSSA-N 1 0 384.495 4.107 20 0 GIADRO CC(C)c1ccccc1-n1c(SC[C@H]2CC[N@H+](C)C2)nnc1-c1cccnc1 ZINC000187659941 823107580 /nfs/dbraw/zinc/10/75/80/823107580.db2.gz PHBRKUJZZREGLV-KRWDZBQOSA-N 1 0 393.560 4.497 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC1CCC(CSC)CC1 ZINC000458929257 823107611 /nfs/dbraw/zinc/10/76/11/823107611.db2.gz JENHZIMAFYFSFY-UHFFFAOYSA-N 1 0 377.598 4.202 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCC(C)(C)c2ccccn2)CC1 ZINC000458928621 823107680 /nfs/dbraw/zinc/10/76/80/823107680.db2.gz XCQKNXMCPLENSX-LJQANCHMSA-N 1 0 386.584 4.045 20 0 GIADRO Cc1sc(NC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])nc1-c1c[nH]c2ncccc12 ZINC000570919808 823107832 /nfs/dbraw/zinc/10/78/32/823107832.db2.gz JLPZGYUXVHQJFX-HOCLYGCPSA-N 1 0 383.521 4.231 20 0 GIADRO O=C(NC[C@H]1CCC[NH2+]C1)c1c(F)cccc1Sc1ccc(Cl)cc1 ZINC000570920011 823107852 /nfs/dbraw/zinc/10/78/52/823107852.db2.gz ZRBHLFCWSMEQHM-ZDUSSCGKSA-N 1 0 378.900 4.360 20 0 GIADRO C[N@@H+]1CC[C@@H](CSc2nnc(COc3ccccc3F)n2-c2ccccc2)C1 ZINC000187661853 823108128 /nfs/dbraw/zinc/10/81/28/823108128.db2.gz WWNYADIKAKTOSW-MRXNPFEDSA-N 1 0 398.507 4.029 20 0 GIADRO Cc1cnc2cc(C(=O)N3CCC(c4ccc(Br)cc4)CC3)ccn12 ZINC000570941589 823110068 /nfs/dbraw/zinc/11/00/68/823110068.db2.gz OZIDCSXXJMFEPC-UHFFFAOYSA-N 1 0 398.304 4.425 20 0 GIADRO Cc1nc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)oc1-c1ccc(Cl)cc1 ZINC000121058549 823110508 /nfs/dbraw/zinc/11/05/08/823110508.db2.gz ANVZDSCFXTZKDS-MRXNPFEDSA-N 1 0 397.910 4.221 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]C2(Cc3ccccc3)CCC2)c1 ZINC000570947080 823110749 /nfs/dbraw/zinc/11/07/49/823110749.db2.gz ZZTXVAKOSUOZPD-QGZVFWFLSA-N 1 0 382.504 4.176 20 0 GIADRO Cc1cccc(-c2n[nH]cc2C[N@H+](CCc2ccccn2)Cc2ccncc2)c1 ZINC000570972929 823113928 /nfs/dbraw/zinc/11/39/28/823113928.db2.gz SJNIMISNAYJBFV-UHFFFAOYSA-N 1 0 383.499 4.420 20 0 GIADRO COc1ccc2ccccc2c1CN(C(=O)c1coc(C[NH3+])c1)C1CCCC1 ZINC000187675584 823110985 /nfs/dbraw/zinc/11/09/85/823110985.db2.gz XOZCOLXGOROTAQ-UHFFFAOYSA-N 1 0 378.472 4.485 20 0 GIADRO CCO[C@H]1C[C@@]([NH3+])(C(=O)Nc2ccc3nc(C(C)(C)C)sc3c2)C1(C)C ZINC000187675929 823111011 /nfs/dbraw/zinc/11/10/11/823111011.db2.gz PUCAQRGXZIYLSF-MGPUTAFESA-N 1 0 375.538 4.065 20 0 GIADRO CCO[C@H]1C[C@]([NH3+])(C(=O)Nc2ccc3nc(C(C)(C)C)sc3c2)C1(C)C ZINC000187675883 823111014 /nfs/dbraw/zinc/11/10/14/823111014.db2.gz PUCAQRGXZIYLSF-YWZLYKJASA-N 1 0 375.538 4.065 20 0 GIADRO O[C@@H](C[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1)COCc1cccs1 ZINC000570956494 823111978 /nfs/dbraw/zinc/11/19/78/823111978.db2.gz QRRFMXVILOAMIL-HNNXBMFYSA-N 1 0 394.949 4.192 20 0 GIADRO CCOc1ccc(CC[NH2+][C@H](c2ncc[nH]2)c2ccc(F)cc2)cc1OCC ZINC000187691406 823113722 /nfs/dbraw/zinc/11/37/22/823113722.db2.gz OPAVFMOMJVDIFO-NRFANRHFSA-N 1 0 383.467 4.268 20 0 GIADRO COc1ccc2oc([C@@H](C)NC(=O)N(C)[C@H](C)C3CC[NH+](C)CC3)c(C)c2c1 ZINC000570976346 823114495 /nfs/dbraw/zinc/11/44/95/823114495.db2.gz TVUXLBZTNJEXFR-HZPDHXFCSA-N 1 0 387.524 4.183 20 0 GIADRO Brc1ccc([C@H]([NH2+][C@@H]2CCN(c3ccccn3)C2)C2CC2)s1 ZINC000190653520 823595295 /nfs/dbraw/zinc/59/52/95/823595295.db2.gz BGFBJOGISSCXGH-CXAGYDPISA-N 1 0 378.339 4.225 20 0 GIADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)N[C@H](c3ccc(F)c(Cl)c3)C3CC3)C2)C1 ZINC000459014511 823116780 /nfs/dbraw/zinc/11/67/80/823116780.db2.gz OTMHXSLQYAVXSK-ICSRJNTNSA-N 1 0 379.907 4.058 20 0 GIADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2ccc(COc3ccc4ccccc4c3)o2)C1 ZINC000570996406 823117651 /nfs/dbraw/zinc/11/76/51/823117651.db2.gz BUTSZPGBLOPJFQ-GOSISDBHSA-N 1 0 392.499 4.472 20 0 GIADRO CC(C)C(=O)Nc1cccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)c1 ZINC000121107281 823119928 /nfs/dbraw/zinc/11/99/28/823119928.db2.gz PCVIVRCGPSQDSZ-OAQYLSRUSA-N 1 0 379.504 4.274 20 0 GIADRO Cc1ccn(-c2ccccc2C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)n1 ZINC000571016431 823120783 /nfs/dbraw/zinc/12/07/83/823120783.db2.gz NKLANXSFISAPGX-UWJYYQICSA-N 1 0 394.544 4.055 20 0 GIADRO O=C(C[C@H](Cc1ccccc1)c1ccccc1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000571044964 823124528 /nfs/dbraw/zinc/12/45/28/823124528.db2.gz PKOKRXXSPLQAGH-VXNXHJTFSA-N 1 0 376.544 4.251 20 0 GIADRO Cc1csc(Sc2ccc(NC(=O)N[C@@H]3C[NH2+]CC[C@@H]3C)c(C)c2)n1 ZINC000571027825 823122214 /nfs/dbraw/zinc/12/22/14/823122214.db2.gz JOGWWNBCCAOCRU-MEDUHNTESA-N 1 0 376.551 4.031 20 0 GIADRO O=C(Nc1cccc(Oc2cnccn2)c1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000121131883 823123713 /nfs/dbraw/zinc/12/37/13/823123713.db2.gz CLSBHUYHGMZMMK-NRFANRHFSA-N 1 0 388.471 4.262 20 0 GIADRO CCCN(C(=O)CC[C@@H]([NH3+])c1ccccc1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000571039381 823124183 /nfs/dbraw/zinc/12/41/83/823124183.db2.gz ZEIFJTHIDKSARO-WIYYLYMNSA-N 1 0 381.520 4.123 20 0 GIADRO Cc1cnc(CC[NH2+]C2(c3ccc(Br)cc3)CCOCC2)c(C)c1 ZINC000571042972 823124203 /nfs/dbraw/zinc/12/42/03/823124203.db2.gz WVMKABQDTYKODN-UHFFFAOYSA-N 1 0 389.337 4.299 20 0 GIADRO C[C@@H](NC(=O)NC[C@H]1[NH2+]CCc2ccccc21)c1nc(-c2ccccc2)cs1 ZINC000571058851 823126341 /nfs/dbraw/zinc/12/63/41/823126341.db2.gz ZZCANXLPHHARMY-DNVCBOLYSA-N 1 0 392.528 4.057 20 0 GIADRO C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000571070028 823127825 /nfs/dbraw/zinc/12/78/25/823127825.db2.gz BSKYYVJQRCJSNX-KDOFPFPSSA-N 1 0 390.936 4.026 20 0 GIADRO Cc1nn(-c2ccccn2)c(C)c1C[N@@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000571070437 823127874 /nfs/dbraw/zinc/12/78/74/823127874.db2.gz RPGCBWDPZDDWBZ-IBGZPJMESA-N 1 0 382.895 4.191 20 0 GIADRO O=C(N[C@H]1CCC[N@H+](Cc2cccc3c[nH]nc32)C1)c1ccc2ccccc2c1 ZINC000571070496 823127892 /nfs/dbraw/zinc/12/78/92/823127892.db2.gz UQTHLBIZNZQHOY-QFIPXVFZSA-N 1 0 384.483 4.111 20 0 GIADRO CC(C)NC(=O)Nc1ccc(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)cc1 ZINC000056326441 823128534 /nfs/dbraw/zinc/12/85/34/823128534.db2.gz HYTVJTVRJXJETN-UHFFFAOYSA-N 1 0 394.519 4.107 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)c2cnc(-c3ccco3)s2)CC1 ZINC000176124558 823128586 /nfs/dbraw/zinc/12/85/86/823128586.db2.gz PPCCGLVPWSJZDE-UHFFFAOYSA-N 1 0 381.501 4.140 20 0 GIADRO CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000571078400 823128803 /nfs/dbraw/zinc/12/88/03/823128803.db2.gz LJPLOMBQUGQLHJ-KDOFPFPSSA-N 1 0 377.579 4.197 20 0 GIADRO CO[C@H](C)c1nc(CN2CCC[N@H+](CCCc3ccsc3)CC2)cs1 ZINC000571079486 823128811 /nfs/dbraw/zinc/12/88/11/823128811.db2.gz SWOYYXWETJOFEW-MRXNPFEDSA-N 1 0 379.595 4.053 20 0 GIADRO CC1=NN(c2ccc(C(=O)N(Cc3ccccc3)C3CC[NH+](C)CC3)cc2)CC1 ZINC000176124984 823128945 /nfs/dbraw/zinc/12/89/45/823128945.db2.gz BLTQEHCQGVDJCY-UHFFFAOYSA-N 1 0 390.531 4.009 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000459120020 823130644 /nfs/dbraw/zinc/13/06/44/823130644.db2.gz XILUXPGIPVRKHG-UHFFFAOYSA-N 1 0 395.469 4.396 20 0 GIADRO O=C(NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)N1CCC([NH+]2CCCC2)CC1 ZINC000121166192 823130885 /nfs/dbraw/zinc/13/08/85/823130885.db2.gz HTLZAVHRCYVYTK-KBXCAEBGSA-N 1 0 396.362 4.367 20 0 GIADRO CN(C(=O)NC1CC[NH+](C2CCC2)CC1)C1c2ccccc2-c2ccccc21 ZINC000459122357 823131052 /nfs/dbraw/zinc/13/10/52/823131052.db2.gz ZJPKUXNSFSWJPS-UHFFFAOYSA-N 1 0 375.516 4.415 20 0 GIADRO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H]2CCCC(C)(C)C2)C1 ZINC000459123369 823131058 /nfs/dbraw/zinc/13/10/58/823131058.db2.gz VNOQSJKGBXGWJM-QZTJIDSGSA-N 1 0 392.613 4.131 20 0 GIADRO COc1cc([C@H](C)[NH2+]C[C@@]2(C)OCCc3sccc32)ccc1OC(F)F ZINC000571096191 823131534 /nfs/dbraw/zinc/13/15/34/823131534.db2.gz KBKGGOLDHGUZMP-HXPMCKFVSA-N 1 0 383.460 4.497 20 0 GIADRO O=C1CSc2cc(-c3nc(-c4ccc(C[NH+]5CCCC5)cc4)no3)ccc2N1 ZINC000571100850 823132421 /nfs/dbraw/zinc/13/24/21/823132421.db2.gz NXQVVFVHWAMJFO-UHFFFAOYSA-N 1 0 392.484 4.044 20 0 GIADRO COc1ccccc1CNC(=O)[C@H](C)[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000121176568 823132425 /nfs/dbraw/zinc/13/24/25/823132425.db2.gz PLRVXQITYFDJRK-SUMWQHHRSA-N 1 0 390.936 4.180 20 0 GIADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1 ZINC000176136105 823132434 /nfs/dbraw/zinc/13/24/34/823132434.db2.gz JWQDFHMMSVDLOI-UHFFFAOYSA-N 1 0 380.275 4.136 20 0 GIADRO O=C(c1cc(C2CC2)nc2ccc(Cl)cc21)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000176136444 823132444 /nfs/dbraw/zinc/13/24/44/823132444.db2.gz QSDGVCZHKSAFGS-HNNXBMFYSA-N 1 0 383.923 4.324 20 0 GIADRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(CN3CCOCC3)c1)CCCS2 ZINC000187793286 823134216 /nfs/dbraw/zinc/13/42/16/823134216.db2.gz AFULYKVGDCUSDY-QFIPXVFZSA-N 1 0 398.572 4.244 20 0 GIADRO Cc1cc(C)n(-c2ccccc2NC(=O)N2CCN(C)C[C@@H]2c2ccccc2)n1 ZINC000571116679 823134421 /nfs/dbraw/zinc/13/44/21/823134421.db2.gz ASFCENQXEFZYMH-JOCHJYFZSA-N 1 0 389.503 4.010 20 0 GIADRO CCSc1cc(C[NH2+][C@@H](C)c2ccc(OCc3nccn3C)cc2)ccn1 ZINC000187794437 823134383 /nfs/dbraw/zinc/13/43/83/823134383.db2.gz XRWRGLUABWEHMT-INIZCTEOSA-N 1 0 382.533 4.357 20 0 GIADRO Cc1ccc(-c2nc(-c3nc([C@@H]4C[N@@H+]5CCC[C@@]5(C)CO4)no3)cs2)cc1 ZINC000571123849 823136170 /nfs/dbraw/zinc/13/61/70/823136170.db2.gz IPAFIFKVAOXTAN-JXFKEZNVSA-N 1 0 382.489 4.094 20 0 GIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCCN(C(=O)NCC2(C3CCC3)CCC2)CC1 ZINC000459160290 823136241 /nfs/dbraw/zinc/13/62/41/823136241.db2.gz DQRDILOCTTZUPD-OAQYLSRUSA-N 1 0 384.568 4.048 20 0 GIADRO C[N@H+](CCCCNC(=O)N(CCc1cccc(F)c1)C1CCCC1)C1CC1 ZINC000459165223 823136997 /nfs/dbraw/zinc/13/69/97/823136997.db2.gz RVZRNAQQPVTQOD-UHFFFAOYSA-N 1 0 375.532 4.197 20 0 GIADRO COc1ccc(NC(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c(OC)c1 ZINC000571128899 823137498 /nfs/dbraw/zinc/13/74/98/823137498.db2.gz YEYOUWWCVMXVKE-IBGZPJMESA-N 1 0 397.519 4.128 20 0 GIADRO Cc1[nH]c2ccccc2c1C1=CCN(C(=O)NCCCC[N@@H+](C)C2CC2)CC1 ZINC000459186105 823140251 /nfs/dbraw/zinc/14/02/51/823140251.db2.gz JYFFAURQQADKLQ-UHFFFAOYSA-N 1 0 380.536 4.149 20 0 GIADRO Cc1ccc(-c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2Cc2cccs2)o1 ZINC000571138161 823139801 /nfs/dbraw/zinc/13/98/01/823139801.db2.gz MIZSEFIUUASFSZ-UHFFFAOYSA-N 1 0 399.564 4.267 20 0 GIADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCC1(Cc2cccc(Cl)c2)CC1 ZINC000459214593 823145604 /nfs/dbraw/zinc/14/56/04/823145604.db2.gz QTMMIIOCDUSAFR-MRXNPFEDSA-N 1 0 377.960 4.034 20 0 GIADRO Fc1ccc([C@@H]([NH2+]CC2(c3ccc(F)cc3)CCOCC2)c2ncc[nH]2)cc1 ZINC000187827076 823141367 /nfs/dbraw/zinc/14/13/67/823141367.db2.gz CKKKZJGIFPCKIE-HXUWFJFHSA-N 1 0 383.442 4.115 20 0 GIADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)N[C@H](C)c1cccc(C)c1 ZINC000459194703 823141459 /nfs/dbraw/zinc/14/14/59/823141459.db2.gz GAMMSQIXAMIPTP-KNQAVFIVSA-N 1 0 380.536 4.147 20 0 GIADRO COc1ccc(C)cc1[C@@H](C)NC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459197137 823142075 /nfs/dbraw/zinc/14/20/75/823142075.db2.gz CQPDAAOBXWMTQB-TZIWHRDSSA-N 1 0 395.547 4.228 20 0 GIADRO COC(=O)c1cc(C[NH2+]C2(c3ccc(Cl)cc3)CCC2)cc(C(=O)OC)c1 ZINC000571187093 823145886 /nfs/dbraw/zinc/14/58/86/823145886.db2.gz AYGBCUUHBDYLJY-UHFFFAOYSA-N 1 0 387.863 4.082 20 0 GIADRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccccc1 ZINC000121232338 823143701 /nfs/dbraw/zinc/14/37/01/823143701.db2.gz XWJYUVQPOBQNFJ-SFHVURJKSA-N 1 0 381.520 4.179 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCCOc2ccccc21 ZINC000176171530 823143911 /nfs/dbraw/zinc/14/39/11/823143911.db2.gz OELMCKHBCZCDJN-IFMALSPDSA-N 1 0 393.531 4.064 20 0 GIADRO CNC(=O)COc1cccc(C[NH2+][C@@H](C)c2ccc(OC(C)C)c(Cl)c2)c1 ZINC000571174528 823144153 /nfs/dbraw/zinc/14/41/53/823144153.db2.gz CACILFDAVQTKOK-HNNXBMFYSA-N 1 0 390.911 4.103 20 0 GIADRO CC[S@](=O)[C@H]1CCC[C@@H]([NH2+]Cc2cc3cc(Br)ccc3o2)C1 ZINC000571179016 823144503 /nfs/dbraw/zinc/14/45/03/823144503.db2.gz FGZNWOYZUIKRSX-RQVMVGKASA-N 1 0 384.339 4.365 20 0 GIADRO O=C(N[C@@H](c1ccco1)c1ccccc1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176173393 823144661 /nfs/dbraw/zinc/14/46/61/823144661.db2.gz VQNWBZPDGDWTMF-JOCHJYFZSA-N 1 0 381.520 4.465 20 0 GIADRO O=C(Cc1noc2ccc(F)cc12)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000571181406 823145142 /nfs/dbraw/zinc/14/51/42/823145142.db2.gz OMHVHAHTEUXWAR-UHFFFAOYSA-N 1 0 395.478 4.202 20 0 GIADRO Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000121240265 823145423 /nfs/dbraw/zinc/14/54/23/823145423.db2.gz IPDSKZPCXWAQCE-SFHVURJKSA-N 1 0 383.927 4.304 20 0 GIADRO C[C@H](NC(=O)Nc1cccc(NC(=O)c2ccccc2)c1)C(C)(C)C[NH+](C)C ZINC000121216557 823140664 /nfs/dbraw/zinc/14/06/64/823140664.db2.gz AUOABNCFRGTNFY-INIZCTEOSA-N 1 0 382.508 4.037 20 0 GIADRO O=C(NCc1ccc2c[nH+]cn2c1)N(Cc1ccc(F)cc1F)C1CCCC1 ZINC000459218323 823146377 /nfs/dbraw/zinc/14/63/77/823146377.db2.gz ZHJKWHNUPFKSOL-UHFFFAOYSA-N 1 0 384.430 4.267 20 0 GIADRO COc1ccc(-c2n[nH]cc2C[N@H+](C)Cc2ccccc2N2CCCC2)cc1 ZINC000121244485 823146379 /nfs/dbraw/zinc/14/63/79/823146379.db2.gz SBCXKCNZXDADSI-UHFFFAOYSA-N 1 0 376.504 4.318 20 0 GIADRO C[C@H](CCCc1cccnc1)NC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000459219942 823146871 /nfs/dbraw/zinc/14/68/71/823146871.db2.gz RJFFPFFSMKWATJ-OFNKIYASSA-N 1 0 394.563 4.099 20 0 GIADRO CSCC[C@@H](CO)[NH2+][C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000571201048 823147430 /nfs/dbraw/zinc/14/74/30/823147430.db2.gz GYNUNWPGCIIGFV-LRDDRELGSA-N 1 0 383.355 4.011 20 0 GIADRO Cc1nc2ccccc2n1CCc1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000571202346 823147705 /nfs/dbraw/zinc/14/77/05/823147705.db2.gz CKOPKUBMIMNZIY-UHFFFAOYSA-N 1 0 387.487 4.233 20 0 GIADRO Cc1nccn1CCC[NH2+][C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000571201661 823147746 /nfs/dbraw/zinc/14/77/46/823147746.db2.gz PZEAPTCWYRXJGU-GOSISDBHSA-N 1 0 387.325 4.493 20 0 GIADRO COc1cc(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)ccc1OCc1cccs1 ZINC000121254951 823148793 /nfs/dbraw/zinc/14/87/93/823148793.db2.gz ZCYSERFHMCHSMS-KRWDZBQOSA-N 1 0 383.517 4.438 20 0 GIADRO CN(Cc1ccccc1Cl)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000056441811 823149733 /nfs/dbraw/zinc/14/97/33/823149733.db2.gz XXOGYADJRXENHD-UHFFFAOYSA-N 1 0 389.902 4.285 20 0 GIADRO Fc1ccc([C@H]([NH2+]CCc2ccc(F)c(Br)c2)c2ncc[nH]2)cc1 ZINC000187878685 823151400 /nfs/dbraw/zinc/15/14/00/823151400.db2.gz QJCBAUIGJRENEG-KRWDZBQOSA-N 1 0 392.247 4.372 20 0 GIADRO COc1ccc2cc(CNC(=O)N3CCC[C@H]([NH+]4CCCC4)CC3)ccc2c1 ZINC000121271107 823152296 /nfs/dbraw/zinc/15/22/96/823152296.db2.gz PCJYBYWSTMOZQL-NRFANRHFSA-N 1 0 381.520 4.008 20 0 GIADRO COC(=O)[C@@H](NCc1ccc(C[NH+]2CCCCCC2)cc1)c1ccc(F)cc1 ZINC000571241480 823153948 /nfs/dbraw/zinc/15/39/48/823153948.db2.gz UDJQIXANSHVXSK-QFIPXVFZSA-N 1 0 384.495 4.206 20 0 GIADRO CSc1ccc([C@@H](CNC(=O)c2cc(O)c3ccccc3c2)[NH+](C)C)cc1 ZINC000571240461 823154050 /nfs/dbraw/zinc/15/40/50/823154050.db2.gz NXNHQIKKQIIPIE-HXUWFJFHSA-N 1 0 380.513 4.300 20 0 GIADRO C[N@@H+]1CCC[C@H](CCNC(=O)N2CCC[C@H]2c2ccc(Br)cc2)C1 ZINC000459269057 823154099 /nfs/dbraw/zinc/15/40/99/823154099.db2.gz SOJNFZUPKJJHFP-QAPCUYQASA-N 1 0 394.357 4.028 20 0 GIADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000459268215 823154143 /nfs/dbraw/zinc/15/41/43/823154143.db2.gz RTVYDMQSTKTJJN-MRXNPFEDSA-N 1 0 396.373 4.101 20 0 GIADRO C=CCNC(=S)C(C(=O)c1cccc(Cl)c1)[n+]1ccc2c(c1)CCCC2 ZINC000121283116 823154605 /nfs/dbraw/zinc/15/46/05/823154605.db2.gz OWEIJLAAQGIMPA-UHFFFAOYSA-O 1 0 385.940 4.221 20 0 GIADRO C[N@@H+]1CCC[C@@H](CCNC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)C1 ZINC000459275068 823154981 /nfs/dbraw/zinc/15/49/81/823154981.db2.gz ZZWIKKJLXLYKNI-HNNXBMFYSA-N 1 0 383.458 4.111 20 0 GIADRO CSCCCCCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000187908714 823156794 /nfs/dbraw/zinc/15/67/94/823156794.db2.gz XWGSPASROXCBCU-IHWFROFDSA-N 1 0 375.582 4.015 20 0 GIADRO Cc1cc(-c2nc(C3CC3)no2)ccc1NC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000571258657 823157104 /nfs/dbraw/zinc/15/71/04/823157104.db2.gz VUVKAEKCPWHYMF-UHFFFAOYSA-N 1 0 395.507 4.061 20 0 GIADRO Cc1cc(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)ccc1NC(=O)c1cccs1 ZINC000571264977 823157947 /nfs/dbraw/zinc/15/79/47/823157947.db2.gz CQWHSZXYFMWPJX-GOSISDBHSA-N 1 0 397.544 4.056 20 0 GIADRO C[C@@H](C(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1)c1cc2ccccc2o1 ZINC000176227818 823157953 /nfs/dbraw/zinc/15/79/53/823157953.db2.gz HMWPWXGMZXWQFZ-GOSISDBHSA-N 1 0 391.515 4.097 20 0 GIADRO CCOc1c(Cl)cccc1CC(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC000187922928 823158610 /nfs/dbraw/zinc/15/86/10/823158610.db2.gz IBUNXHBWTUFYAM-UHFFFAOYSA-N 1 0 390.911 4.169 20 0 GIADRO C[N@H+](CCCCOc1cccc(C(F)(F)F)c1)Cc1cccc(C(N)=O)c1 ZINC000056514062 823160245 /nfs/dbraw/zinc/16/02/45/823160245.db2.gz AUCUGRXSHGJOGG-UHFFFAOYSA-N 1 0 380.410 4.095 20 0 GIADRO CCOc1cc(C[N@@H+]2CCC[C@H](CNC(=O)Nc3ccc(C)cc3)C2)ccc1O ZINC000459322808 823161484 /nfs/dbraw/zinc/16/14/84/823161484.db2.gz IBUCMXNADIDILP-LJQANCHMSA-N 1 0 397.519 4.133 20 0 GIADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)N[C@@H](c2ccco2)c2ccccc2)CC1 ZINC000121312786 823161027 /nfs/dbraw/zinc/16/10/27/823161027.db2.gz UFVFYAQMGJGANU-JOCHJYFZSA-N 1 0 393.487 4.268 20 0 GIADRO O=C(Nc1cccc(COc2ccc(F)cc2)c1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000571298550 823161681 /nfs/dbraw/zinc/16/16/81/823161681.db2.gz QMDWMUVMRXYEEI-UHFFFAOYSA-N 1 0 397.494 4.402 20 0 GIADRO Cc1cc(NC(=O)C2CC[NH+](Cc3ccc(OC(C)C)c(Cl)c3)CC2)no1 ZINC000187949196 823162601 /nfs/dbraw/zinc/16/26/01/823162601.db2.gz ILRZZYHOTRLFEJ-UHFFFAOYSA-N 1 0 391.899 4.274 20 0 GIADRO C[C@@H]1CN(c2ccccc2C[NH+]2CCC(OCCc3ccccc3)CC2)CCO1 ZINC000459331471 823162646 /nfs/dbraw/zinc/16/26/46/823162646.db2.gz UCGRQOYASXPIEG-OAQYLSRUSA-N 1 0 394.559 4.135 20 0 GIADRO C[C@@H]1CN(c2ccccc2C[NH+]2CCC(Nc3ccc(F)cc3)CC2)CCO1 ZINC000459331486 823162753 /nfs/dbraw/zinc/16/27/53/823162753.db2.gz UDPMFYNKXBMGGE-GOSISDBHSA-N 1 0 383.511 4.127 20 0 GIADRO CCC(CC)n1nc(C)cc1C(=O)N1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000571313668 823163960 /nfs/dbraw/zinc/16/39/60/823163960.db2.gz NPBSOLUFXCTYMF-UNMCSNQZSA-N 1 0 396.579 4.365 20 0 GIADRO COc1cc(C)c(C[NH2+]C[C@@H](c2ccc(OC(C)C)cc2)N(C)C)cc1OC ZINC000571317899 823164433 /nfs/dbraw/zinc/16/44/33/823164433.db2.gz AHLGSGUDIXLPTM-NRFANRHFSA-N 1 0 386.536 4.192 20 0 GIADRO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]C[C@H](CO)c1ccccc1Cl ZINC000571318044 823164535 /nfs/dbraw/zinc/16/45/35/823164535.db2.gz DBHQJEJOUBPSBK-MRXNPFEDSA-N 1 0 387.886 4.147 20 0 GIADRO COC[C@@]1(C[NH2+][C@@H](C)c2ccccc2C(F)(F)F)OCCc2ccccc21 ZINC000571333193 823166435 /nfs/dbraw/zinc/16/64/35/823166435.db2.gz KNWRMHLZFKNYBJ-MGPUTAFESA-N 1 0 379.422 4.471 20 0 GIADRO C[C@H](Nc1ccccc1C[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cc2ccccc2o1 ZINC000459344202 823166412 /nfs/dbraw/zinc/16/64/12/823166412.db2.gz BBRUJKODQFUTBZ-QFBILLFUSA-N 1 0 377.488 4.303 20 0 GIADRO CC[C@@H](NC(=O)c1ccccc1)c1noc(/C=C/c2ccc(-n3ccnc3)cc2)n1 ZINC000571364281 823171602 /nfs/dbraw/zinc/17/16/02/823171602.db2.gz CIFVDPGVZLJBJU-XEDBTPMOSA-N 1 0 399.454 4.307 20 0 GIADRO CN(CC[C@@H]1CCCC[N@@H+]1C)Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459360358 823171664 /nfs/dbraw/zinc/17/16/64/823171664.db2.gz FPGHUEFDRQRZKD-FQEVSTJZSA-N 1 0 381.568 4.366 20 0 GIADRO C/C(=C/c1ccccc1OC(F)F)C[N@H+]1CCC[C@@H]1CN1C[C@H](C)O[C@@H](C)C1 ZINC000571339292 823167615 /nfs/dbraw/zinc/16/76/15/823167615.db2.gz NHCAFJTXNWRUKA-RSWGMMATSA-N 1 0 394.506 4.265 20 0 GIADRO CCCOc1cccc(CC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000121369705 823171792 /nfs/dbraw/zinc/17/17/92/823171792.db2.gz CSVXBWZXPZSNFF-UHFFFAOYSA-N 1 0 380.532 4.141 20 0 GIADRO COc1cc(C)c(NC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)cc1OC ZINC000056556759 823168810 /nfs/dbraw/zinc/16/88/10/823168810.db2.gz CPSUUDSHZUMJHU-UHFFFAOYSA-N 1 0 389.540 4.132 20 0 GIADRO O=C(CC[NH2+][C@H]1CCOc2ccc(F)cc21)Nc1ccc(Br)cc1 ZINC000571349195 823169304 /nfs/dbraw/zinc/16/93/04/823169304.db2.gz LJVXALNFYKFXFD-INIZCTEOSA-N 1 0 393.256 4.030 20 0 GIADRO CCc1nc(CN2CCC(C[NH2+][C@H](C)Cc3ccccc3F)CC2)cs1 ZINC000187998561 823169543 /nfs/dbraw/zinc/16/95/43/823169543.db2.gz DGNDMRPDPUAIKX-MRXNPFEDSA-N 1 0 375.557 4.277 20 0 GIADRO Cc1nc2ccccn2c(=O)c1CC[NH2+][C@@H](Cc1ccccc1)c1cccs1 ZINC000571366113 823171951 /nfs/dbraw/zinc/17/19/51/823171951.db2.gz XEOSXGANRLQUIZ-FQEVSTJZSA-N 1 0 389.524 4.181 20 0 GIADRO COc1ccc(-c2ccccc2C)cc1C[N@@H+]1CCCC[C@H]1[C@H]1CNC(=O)C1 ZINC000459361668 823171973 /nfs/dbraw/zinc/17/19/73/823171973.db2.gz PNIZDPQSRIDTBC-KNQAVFIVSA-N 1 0 378.516 4.161 20 0 GIADRO CC[C@@H]([NH2+]CC(=O)Nc1cc(Cl)c(OC)cc1OC)c1ccc(C)cc1 ZINC000121362298 823170641 /nfs/dbraw/zinc/17/06/41/823170641.db2.gz SMUSMXODWJNHPL-MRXNPFEDSA-N 1 0 376.884 4.345 20 0 GIADRO CC(C)OC1CC([NH+]2CCC(C(=O)Nc3ccc(Br)cc3)CC2)C1 ZINC000459358240 823170748 /nfs/dbraw/zinc/17/07/48/823170748.db2.gz KWGKVBSAYCEYOD-UHFFFAOYSA-N 1 0 395.341 4.056 20 0 GIADRO CCc1ccc(-c2nc(CC(=O)N(CC[NH+](C)C)Cc3ccco3)cs2)cc1 ZINC000176286902 823172704 /nfs/dbraw/zinc/17/27/04/823172704.db2.gz PMBRWHPEDFXRON-UHFFFAOYSA-N 1 0 397.544 4.098 20 0 GIADRO C[C@@](O)(C[NH2+][C@@H](Cc1ccccc1)c1nc2ccccc2s1)C(F)(F)F ZINC000571396602 823177166 /nfs/dbraw/zinc/17/71/66/823177166.db2.gz JFDXLLDHZPKDGY-MAUKXSAKSA-N 1 0 380.435 4.483 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)N(Cc1ccco1)C[C@H]1CCCO1 ZINC000056578325 823173941 /nfs/dbraw/zinc/17/39/41/823173941.db2.gz IFPKHDPLFYIZFK-JOCHJYFZSA-N 1 0 399.535 4.012 20 0 GIADRO CCC[NH+]1CCC(CNC(=O)N[C@@H](C)c2ccc(-c3cccnc3)cc2)CC1 ZINC000176296283 823175288 /nfs/dbraw/zinc/17/52/88/823175288.db2.gz BCPZLFOKMXKPNW-SFHVURJKSA-N 1 0 380.536 4.231 20 0 GIADRO C[C@@H](Cc1ccccc1F)[NH2+]Cc1ccc(N(C)C(=O)c2ccncc2)cc1 ZINC000188037965 823175336 /nfs/dbraw/zinc/17/53/36/823175336.db2.gz QMUAFWHTLSECIX-KRWDZBQOSA-N 1 0 377.463 4.218 20 0 GIADRO CC[NH2+]CCCNC(=O)Nc1ccc(OC(F)F)c(-c2ccc(OC)cc2)c1 ZINC000571386135 823175826 /nfs/dbraw/zinc/17/58/26/823175826.db2.gz ZOAIJJBZWSKDRW-UHFFFAOYSA-N 1 0 393.434 4.085 20 0 GIADRO O=C(N[C@H]1CCC[N@H+](Cc2cc3cccnc3o2)C1)c1ccc2ccccc2c1 ZINC000571392013 823176284 /nfs/dbraw/zinc/17/62/84/823176284.db2.gz PTECYZHAMJLCJP-NRFANRHFSA-N 1 0 385.467 4.375 20 0 GIADRO O=c1cc(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)nc(-c2ccccc2)[nH]1 ZINC000459380111 823177784 /nfs/dbraw/zinc/17/77/84/823177784.db2.gz ASVQHJDYOXIKGX-UWJYYQICSA-N 1 0 375.472 4.107 20 0 GIADRO Cc1nc2c(s1)[C@H]([N@H+](C)CCC(=O)NCc1ccccc1Cl)CCC2 ZINC000121402284 823177810 /nfs/dbraw/zinc/17/78/10/823177810.db2.gz FMFJCNHPNAHYLU-QGZVFWFLSA-N 1 0 377.941 4.121 20 0 GIADRO CN(CCCOc1cccc(Cl)c1)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000056601032 823178155 /nfs/dbraw/zinc/17/81/55/823178155.db2.gz GSEAYLIYUITMEZ-UHFFFAOYSA-N 1 0 375.900 4.334 20 0 GIADRO CCC(=O)Nc1ccc(C)c(NCc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000121404448 823178487 /nfs/dbraw/zinc/17/84/87/823178487.db2.gz SUNOUXGBVSMFSD-UHFFFAOYSA-N 1 0 381.520 4.430 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)N(Cc2ccco2)C[C@@H]2CCCO2)c1 ZINC000056621690 823183025 /nfs/dbraw/zinc/18/30/25/823183025.db2.gz GYVLVYWVUSRCGI-QFIPXVFZSA-N 1 0 399.535 4.012 20 0 GIADRO CC(C)(C)OC(=O)[C@H]1CC[N@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000459383610 823178859 /nfs/dbraw/zinc/17/88/59/823178859.db2.gz XBROVFIWQAVPSY-KRWDZBQOSA-N 1 0 396.535 4.224 20 0 GIADRO COc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)c(OC)c1 ZINC000121430663 823183190 /nfs/dbraw/zinc/18/31/90/823183190.db2.gz AHDOOPDKFHGNED-ZOBUZTSGSA-N 1 0 386.467 4.048 20 0 GIADRO CCN(CCC[NH+](CC)CC)C(=O)c1sc(NC(=O)c2ccco2)cc1C ZINC000188060637 823179802 /nfs/dbraw/zinc/17/98/02/823179802.db2.gz IWNQYZOAPQGIEJ-UHFFFAOYSA-N 1 0 391.537 4.096 20 0 GIADRO C[C@H](NC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)c1nc(-c2ccccc2)cs1 ZINC000571419728 823180374 /nfs/dbraw/zinc/18/03/74/823180374.db2.gz HUYJILNNMZGOJO-ZYSHUDEJSA-N 1 0 392.528 4.007 20 0 GIADRO C[C@@H]1CN(C(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)C[C@@H](c2ccccc2)O1 ZINC000571420683 823180377 /nfs/dbraw/zinc/18/03/77/823180377.db2.gz ZWTGTCKANUCVAL-ZQMYSKGWSA-N 1 0 389.499 4.011 20 0 GIADRO COc1ccc(OC2CC[NH+](Cc3ccc(O)c4nc(C)ccc34)CC2)cc1 ZINC000571421001 823180434 /nfs/dbraw/zinc/18/04/34/823180434.db2.gz LVPDKKCRHHNBJK-UHFFFAOYSA-N 1 0 378.472 4.301 20 0 GIADRO COCCNc1ccc(C[NH2+][C@@H]2CCc3sc(Br)cc32)cc1 ZINC000571424213 823180799 /nfs/dbraw/zinc/18/07/99/823180799.db2.gz IPQHNEKYFJFRTM-OAHLLOKOSA-N 1 0 381.339 4.346 20 0 GIADRO O=C(N[C@H](c1ccccc1)c1cccnc1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176320342 823180991 /nfs/dbraw/zinc/18/09/91/823180991.db2.gz YIFQYFSWQLSTOZ-HSZRJFAPSA-N 1 0 392.547 4.267 20 0 GIADRO CCOc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(OC)c(OC)c1C ZINC000571425759 823181031 /nfs/dbraw/zinc/18/10/31/823181031.db2.gz FPXKFHRPKZEYOE-HOTGVXAUSA-N 1 0 386.492 4.089 20 0 GIADRO Clc1ccc(-c2ncc(C[NH2+]CCc3cn4c(n3)SCC4)s2)cc1 ZINC000571424852 823181037 /nfs/dbraw/zinc/18/10/37/823181037.db2.gz MUQXAZJJZFYGLD-UHFFFAOYSA-N 1 0 376.938 4.098 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNCc2cccc(O)c2Br)c1 ZINC000459394260 823182039 /nfs/dbraw/zinc/18/20/39/823182039.db2.gz RSSAAQCGPOZEBC-UHFFFAOYSA-N 1 0 377.326 4.286 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CC[C@H](c3cccnc3)C2)cc1 ZINC000571436149 823182539 /nfs/dbraw/zinc/18/25/39/823182539.db2.gz QZUDIXUWXYDGNF-XXBNENTESA-N 1 0 392.547 4.155 20 0 GIADRO FC1(F)CC[N@H+](Cc2ccccc2)C[C@@H]1c1nc(-c2n[nH]c3ccccc32)no1 ZINC000571446901 823183764 /nfs/dbraw/zinc/18/37/64/823183764.db2.gz WHRZONJLCKACCY-MRXNPFEDSA-N 1 0 395.413 4.238 20 0 GIADRO COCCSc1ccc([C@H](C)[NH2+]Cc2cc(=O)[nH]c(-c3ccccc3)n2)cc1 ZINC000459400818 823184280 /nfs/dbraw/zinc/18/42/80/823184280.db2.gz WVYOAUSLDFJKBK-INIZCTEOSA-N 1 0 395.528 4.439 20 0 GIADRO Cn1cncc1CC[NH2+][C@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000459401263 823184447 /nfs/dbraw/zinc/18/44/47/823184447.db2.gz LTDDDTONDXDULL-CQSZACIVSA-N 1 0 376.220 4.008 20 0 GIADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccc(N(C)C)cc1C(F)(F)F ZINC000056626741 823184543 /nfs/dbraw/zinc/18/45/43/823184543.db2.gz WJRYKNPRAJJFRW-UONOGXRCSA-N 1 0 386.462 4.013 20 0 GIADRO COc1cc([C@@H](C)[NH2+]Cc2cc(=O)[nH]c(C3CC3)n2)ccc1OC1CCCC1 ZINC000459402423 823184934 /nfs/dbraw/zinc/18/49/34/823184934.db2.gz ZMLGYXXLZRIDQG-CQSZACIVSA-N 1 0 383.492 4.240 20 0 GIADRO CCO[C@H]1C[C@H]([NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)C12CCC2 ZINC000459419720 823188661 /nfs/dbraw/zinc/18/86/61/823188661.db2.gz WVWHDDHFQLVEIT-SFTDATJTSA-N 1 0 380.536 4.498 20 0 GIADRO CCOC[C@H]1CC[N@@H+]([C@H](C(=O)Nc2ccccc2OCC)c2ccccc2)C1 ZINC000176335283 823185193 /nfs/dbraw/zinc/18/51/93/823185193.db2.gz WFHGURHXIXIUFV-AVRDEDQJSA-N 1 0 382.504 4.124 20 0 GIADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)Nc2cc(F)cc(Cl)c2)CC1 ZINC000121444221 823185657 /nfs/dbraw/zinc/18/56/57/823185657.db2.gz BSVARGIBOJXLIR-CYBMUJFWSA-N 1 0 376.863 4.221 20 0 GIADRO Cc1csc(Nc2ccc(C(=O)NC3CC[NH+](C4CCCC4)CC3)cc2)n1 ZINC000571457584 823185711 /nfs/dbraw/zinc/18/57/11/823185711.db2.gz VUYQPPIZAGAFBN-UHFFFAOYSA-N 1 0 384.549 4.332 20 0 GIADRO CN(Cc1ccc(Cl)nc1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000121445347 823185829 /nfs/dbraw/zinc/18/58/29/823185829.db2.gz NXQFYEROIPCUGG-UHFFFAOYSA-N 1 0 386.927 4.063 20 0 GIADRO C[C@@H]1C[C@@H](N[C@H](c2ncc[nH]2)c2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000188116666 823188877 /nfs/dbraw/zinc/18/88/77/823188877.db2.gz MUVTTWOCRFHKDI-WTNAPCKOSA-N 1 0 378.495 4.281 20 0 GIADRO CC(C)Oc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)cc1Cl ZINC000188107934 823187652 /nfs/dbraw/zinc/18/76/52/823187652.db2.gz WVFSVULNNXYRGX-APWZRJJASA-N 1 0 376.928 4.103 20 0 GIADRO CCc1cc(N2CCC([NH2+][C@@H]3CCCSc4ccc(OC)cc43)CC2)ncn1 ZINC000188107600 823187684 /nfs/dbraw/zinc/18/76/84/823187684.db2.gz BUSVYIXEYBAELC-HXUWFJFHSA-N 1 0 398.576 4.233 20 0 GIADRO CC(C)(C(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000188082437 823183583 /nfs/dbraw/zinc/18/35/83/823183583.db2.gz KSITWHOCVWXCJL-UHFFFAOYSA-N 1 0 398.469 4.386 20 0 GIADRO O=C(c1ccccc1F)N1CCC[N@H+](CCn2ccc3cc(Cl)ccc32)CC1 ZINC000571484606 823189828 /nfs/dbraw/zinc/18/98/28/823189828.db2.gz AEWQIDUKPRYAJR-UHFFFAOYSA-N 1 0 399.897 4.282 20 0 GIADRO COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]C[C@](C)(O)Cc1ccc(OC)c(OC)c1 ZINC000571486861 823190200 /nfs/dbraw/zinc/19/02/00/823190200.db2.gz PZQSWGGMSVJQRJ-HYBUGGRVSA-N 1 0 399.531 4.018 20 0 GIADRO CCOc1ccc(NC(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c(C)c1 ZINC000571486145 823190213 /nfs/dbraw/zinc/19/02/13/823190213.db2.gz QZIWIDHXXVBUKR-NHCUHLMSSA-N 1 0 393.531 4.380 20 0 GIADRO COCc1cc(C[NH2+][C@H](C)Cc2ccc(OCc3ccc(C)cc3)cc2)no1 ZINC000459427330 823190239 /nfs/dbraw/zinc/19/02/39/823190239.db2.gz MZLJICAUZYEZND-GOSISDBHSA-N 1 0 380.488 4.429 20 0 GIADRO CC(C)(C)CCCNC(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000571486824 823190277 /nfs/dbraw/zinc/19/02/77/823190277.db2.gz ORUOXTWKOPHQQQ-UHFFFAOYSA-N 1 0 388.556 4.449 20 0 GIADRO COCCOc1cc(C)ccc1C[NH2+]Cc1c(C)nc2scc(C3CC3)n12 ZINC000459431147 823190851 /nfs/dbraw/zinc/19/08/51/823190851.db2.gz JPVIAMMEKPNKMM-UHFFFAOYSA-N 1 0 385.533 4.205 20 0 GIADRO Cc1ccccc1O[C@H](C)CNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000176361883 823191183 /nfs/dbraw/zinc/19/11/83/823191183.db2.gz KLFBDNVPFFKFSE-HXUWFJFHSA-N 1 0 395.547 4.068 20 0 GIADRO COc1ccc(-c2ccccc2C)cc1C[NH2+]C1CCC(S(C)(=O)=O)CC1 ZINC000459437022 823191911 /nfs/dbraw/zinc/19/19/11/823191911.db2.gz QOCLTAZHCDKXPH-UHFFFAOYSA-N 1 0 387.545 4.116 20 0 GIADRO O[C@@H]1CCCC[C@H]1CCC[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459437079 823191922 /nfs/dbraw/zinc/19/19/22/823191922.db2.gz RILILZYZVFIPCY-PGRDOPGGSA-N 1 0 382.552 4.481 20 0 GIADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1cccc(COCc2ccco2)c1 ZINC000056663719 823192612 /nfs/dbraw/zinc/19/26/12/823192612.db2.gz LWHKESXSSQCDED-ZWKOTPCHSA-N 1 0 385.508 4.238 20 0 GIADRO c1csc(N2Cc3cccc(NC4CCN(c5cc[nH+]cc5)CC4)c3C2)n1 ZINC000459443831 823193238 /nfs/dbraw/zinc/19/32/38/823193238.db2.gz BQLPWEZPISWBTM-UHFFFAOYSA-N 1 0 377.517 4.139 20 0 GIADRO CC(C)C(=O)c1ccc([C@H](C)C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000571504801 823193293 /nfs/dbraw/zinc/19/32/93/823193293.db2.gz VMNCYOODMIRYDF-CVDCTZTESA-N 1 0 392.543 4.410 20 0 GIADRO CCOc1cc(C[NH2+][C@H](c2cccnc2)C2CC2)cc(Br)c1O ZINC000459445616 823193707 /nfs/dbraw/zinc/19/37/07/823193707.db2.gz DOVRUOWHHDAHTN-KRWDZBQOSA-N 1 0 377.282 4.189 20 0 GIADRO CC(=O)Nc1c(C)ccc(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1C ZINC000056691522 823194157 /nfs/dbraw/zinc/19/41/57/823194157.db2.gz QQJQNTABKDQTBY-IBGZPJMESA-N 1 0 398.507 4.204 20 0 GIADRO CCc1ccc([C@H](CNC(=O)Nc2ccc(C)c(NC(C)=O)c2C)[NH+](C)C)cc1 ZINC000056691464 823194175 /nfs/dbraw/zinc/19/41/75/823194175.db2.gz YITOEGTZRUVEKV-NRFANRHFSA-N 1 0 396.535 4.249 20 0 GIADRO O[C@@H]1CC[N@H+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)C[C@H]1C1CCCC1 ZINC000571524405 823195857 /nfs/dbraw/zinc/19/58/57/823195857.db2.gz BMJJRWUSVFPBPY-DLBZAZTESA-N 1 0 395.425 4.128 20 0 GIADRO CCOc1ccc(NC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1F ZINC000056703152 823196011 /nfs/dbraw/zinc/19/60/11/823196011.db2.gz OXBASPPVUMQCPD-INIZCTEOSA-N 1 0 377.485 4.245 20 0 GIADRO CCOc1cc(C[NH2+]CCCc2cc3c(cc(OC)cc3OC)[nH]2)ccc1O ZINC000459450209 823194591 /nfs/dbraw/zinc/19/45/91/823194591.db2.gz UBRFSAWBEDKXMU-UHFFFAOYSA-N 1 0 384.476 4.012 20 0 GIADRO Cc1nccn1C[C@H](C)C[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000121502530 823195917 /nfs/dbraw/zinc/19/59/17/823195917.db2.gz YSUQDMXANNDYLN-CXAGYDPISA-N 1 0 378.314 4.094 20 0 GIADRO Oc1cccc(C[NH2+][C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c1Br ZINC000459453165 823195163 /nfs/dbraw/zinc/19/51/63/823195163.db2.gz ACRWVJISBGXVMV-WMLDXEAASA-N 1 0 384.220 4.053 20 0 GIADRO CCOc1cc(CNC[C@H]2CCC[N@H+](CC(C)C)C2)cc(Br)c1O ZINC000459457733 823196079 /nfs/dbraw/zinc/19/60/79/823196079.db2.gz YGOQLHHMYXXDPL-OAHLLOKOSA-N 1 0 399.373 4.011 20 0 GIADRO C[C@@H]1CN(c2ccccc2C[NH2+]C[C@H]2CCCO[C@H]2c2ccccc2)CCO1 ZINC000459461671 823196772 /nfs/dbraw/zinc/19/67/72/823196772.db2.gz GMLASOWSDOQIMR-CKUXNOBLSA-N 1 0 380.532 4.169 20 0 GIADRO O=C(NC1(c2cccc(C(F)(F)F)c2)CC1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000571534858 823197101 /nfs/dbraw/zinc/19/71/01/823197101.db2.gz IAMKFPLKGIHWKA-QGZVFWFLSA-N 1 0 398.494 4.028 20 0 GIADRO C[C@H]1C[NH+](CCC2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)C[C@H](C)O1 ZINC000176393236 823197423 /nfs/dbraw/zinc/19/74/23/823197423.db2.gz KCHGJYJWWSDNTN-HOTGVXAUSA-N 1 0 379.932 4.083 20 0 GIADRO COc1c(F)cc(NC(=O)NCc2ccccc2C[N@H+](C)C(C)C)cc1F ZINC000056716312 823198308 /nfs/dbraw/zinc/19/83/08/823198308.db2.gz GFJPTASWRVTQAF-UHFFFAOYSA-N 1 0 377.435 4.135 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Nc1cc(F)c(OC)c(F)c1)c1ccsc1 ZINC000056717439 823198833 /nfs/dbraw/zinc/19/88/33/823198833.db2.gz OCXPWDDBEZRABT-MRXNPFEDSA-N 1 0 383.464 4.240 20 0 GIADRO CCc1nc(C)c([C@@H](C)N(C)C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)s1 ZINC000176398863 823199493 /nfs/dbraw/zinc/19/94/93/823199493.db2.gz IOZIHONUKWNPPV-AEFFLSMTSA-N 1 0 388.581 4.328 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2cc(=O)oc3cc(C)c(C)cc23)C1)CC(F)(F)F ZINC000176398272 823199511 /nfs/dbraw/zinc/19/95/11/823199511.db2.gz GBBSZPYBMZLNSP-MRXNPFEDSA-N 1 0 396.453 4.116 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+]Cc2cc(=O)[nH]c(-c3ccccc3)n2)cc1OCC ZINC000459474153 823199672 /nfs/dbraw/zinc/19/96/72/823199672.db2.gz POCGIIDFMFFPOC-MRXNPFEDSA-N 1 0 393.487 4.497 20 0 GIADRO CCc1nc(C)c([C@H](C)N(C)C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)s1 ZINC000176398883 823199717 /nfs/dbraw/zinc/19/97/17/823199717.db2.gz IOZIHONUKWNPPV-WMZOPIPTSA-N 1 0 388.581 4.328 20 0 GIADRO CCOc1cc(C[NH+]2CCC(CCC(=O)N(CC)CC)CC2)cc(Cl)c1O ZINC000459476546 823200404 /nfs/dbraw/zinc/20/04/04/823200404.db2.gz ZZKOEBPBSLIBTC-UHFFFAOYSA-N 1 0 396.959 4.305 20 0 GIADRO c1c(C[N@@H+]2CCC[C@@H]2C2CCOCC2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459475820 823200504 /nfs/dbraw/zinc/20/05/04/823200504.db2.gz XDFZIAFRECVSKG-JOCHJYFZSA-N 1 0 380.536 4.451 20 0 GIADRO CC(C)[N@@H+](Cc1ccc(NCc2cn3cccnc3n2)cc1)C[C@@H]1CCCCO1 ZINC000459477882 823200721 /nfs/dbraw/zinc/20/07/21/823200721.db2.gz GMWWQWUWWNUDBM-QFIPXVFZSA-N 1 0 393.535 4.121 20 0 GIADRO CC(C)Oc1cc(F)ccc1NC(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000459477645 823200741 /nfs/dbraw/zinc/20/07/41/823200741.db2.gz JFDNPYBDVAHEBH-UHFFFAOYSA-N 1 0 379.501 4.270 20 0 GIADRO CC(C)[N@@H+](Cc1ccc(NCc2cn3cccnc3n2)cc1)C[C@H]1CCCCO1 ZINC000459477872 823200784 /nfs/dbraw/zinc/20/07/84/823200784.db2.gz GMWWQWUWWNUDBM-JOCHJYFZSA-N 1 0 393.535 4.121 20 0 GIADRO C[C@@H](Cc1ccc(O)cc1)NC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000056727002 823200936 /nfs/dbraw/zinc/20/09/36/823200936.db2.gz ACCCCCJQGQJOST-SFHVURJKSA-N 1 0 381.520 4.173 20 0 GIADRO CCN(C[C@H]1CC[N@H+](CC(=O)Nc2c(C)cccc2C(C)C)C1)CC(F)(F)F ZINC000176407753 823201674 /nfs/dbraw/zinc/20/16/74/823201674.db2.gz MYJFWSYUSQSRIV-QGZVFWFLSA-N 1 0 399.501 4.263 20 0 GIADRO C[C@H](C[N@H+](Cc1cnn(Cc2ccc(F)cc2)c1)[C@@H](C)CO)c1ccccc1 ZINC000571567947 823201806 /nfs/dbraw/zinc/20/18/06/823201806.db2.gz BYPYSBKTHXRMBD-MOPGFXCFSA-N 1 0 381.495 4.057 20 0 GIADRO C[NH+](C)CCN(Cc1cccs1)C(=O)N[C@H]1CCSc2c(F)cccc21 ZINC000176408513 823202074 /nfs/dbraw/zinc/20/20/74/823202074.db2.gz QHPUXTMGULBEDS-KRWDZBQOSA-N 1 0 393.553 4.198 20 0 GIADRO C[NH+](C)CCN(C(=O)Nc1cccc(COCc2ccco2)c1)C1CCCC1 ZINC000176412554 823202873 /nfs/dbraw/zinc/20/28/73/823202873.db2.gz BWCQSNHZDDPXJY-UHFFFAOYSA-N 1 0 385.508 4.335 20 0 GIADRO C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000571604686 823206949 /nfs/dbraw/zinc/20/69/49/823206949.db2.gz YGUSXWVTQJXKIH-BOCKYXSRSA-N 1 0 396.556 4.270 20 0 GIADRO COc1cc2nc(C)sc2cc1NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000571583804 823204104 /nfs/dbraw/zinc/20/41/04/823204104.db2.gz ACGYPVLDOSOZSN-UHFFFAOYSA-N 1 0 381.501 4.461 20 0 GIADRO Cc1cnc([C@@H](C)NC(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)s1 ZINC000176434193 823206726 /nfs/dbraw/zinc/20/67/26/823206726.db2.gz DCJYQSISCKUQGN-DOTOQJQBSA-N 1 0 386.565 4.244 20 0 GIADRO C[C@@H](Oc1ccc(C(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)cn1)c1ccccc1 ZINC000571590433 823204682 /nfs/dbraw/zinc/20/46/82/823204682.db2.gz WZDSXFPHMSNZSB-RTBURBONSA-N 1 0 393.531 4.168 20 0 GIADRO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)cc1 ZINC000571597749 823205499 /nfs/dbraw/zinc/20/54/99/823205499.db2.gz JRROEEIXXURZGS-IERDGZPVSA-N 1 0 382.529 4.306 20 0 GIADRO C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@H+](C)C[C@@H]1C[C@H]1c1ccccc1 ZINC000459509433 823207301 /nfs/dbraw/zinc/20/73/01/823207301.db2.gz XWZSVEITBIUHNE-AGHHOFFYSA-N 1 0 384.545 4.023 20 0 GIADRO Cc1cc(=NC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)[nH]n1C1CCCCC1 ZINC000571605237 823207298 /nfs/dbraw/zinc/20/72/98/823207298.db2.gz BKIVAVVZHWXNQU-OAQYLSRUSA-N 1 0 395.551 4.077 20 0 GIADRO Cc1cc(C(F)(F)F)ccc1CNC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000188241409 823208201 /nfs/dbraw/zinc/20/82/01/823208201.db2.gz QRXOFRUNCAUFHY-UHFFFAOYSA-N 1 0 383.458 4.220 20 0 GIADRO c1c(C[N@@H+]2CCSC3(CCOCC3)C2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459512598 823208386 /nfs/dbraw/zinc/20/83/86/823208386.db2.gz BGQXBBYVOJNCLT-UHFFFAOYSA-N 1 0 398.576 4.158 20 0 GIADRO C[C@H](O)C[C@H](C[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1Cl)c1ccccc1 ZINC000121572235 823208639 /nfs/dbraw/zinc/20/86/39/823208639.db2.gz LAXYBTQCEPPJPY-XYJFISCASA-N 1 0 384.911 4.126 20 0 GIADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000124592266 823609204 /nfs/dbraw/zinc/60/92/04/823609204.db2.gz XYJREACJIYEMGD-ABAIWWIYSA-N 1 0 386.721 4.051 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Nc1cccc(-c2nccs2)c1)Cc1ccccc1 ZINC000056778434 823212298 /nfs/dbraw/zinc/21/22/98/823212298.db2.gz TZORFCAMNQDXFK-LJQANCHMSA-N 1 0 380.517 4.105 20 0 GIADRO CCC1(CC)CN(C(=O)Nc2cc(C)nn2[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000571615490 823209425 /nfs/dbraw/zinc/20/94/25/823209425.db2.gz VSEGZVYUVRWKQP-FQEVSTJZSA-N 1 0 395.551 4.292 20 0 GIADRO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000188260834 823210578 /nfs/dbraw/zinc/21/05/78/823210578.db2.gz JONISCIDUMCZRF-OAQYLSRUSA-N 1 0 375.463 4.158 20 0 GIADRO O=C(N[C@@H]1CCSc2ccc(Cl)cc21)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000121582711 823210880 /nfs/dbraw/zinc/21/08/80/823210880.db2.gz RPAJUYNOOBOKRH-NVXWUHKLSA-N 1 0 379.957 4.147 20 0 GIADRO c1csc(-c2noc(CCC[NH+]3CCC4(CC3)OCCc3ccccc34)n2)c1 ZINC000459529321 823212506 /nfs/dbraw/zinc/21/25/06/823212506.db2.gz RQLAFYGSFVGYOA-UHFFFAOYSA-N 1 0 395.528 4.295 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Nc1cccc(-c2nccs2)c1)c1ccc(F)cc1 ZINC000056776505 823211468 /nfs/dbraw/zinc/21/14/68/823211468.db2.gz HTQZCUAGVFYDFC-SFHVURJKSA-N 1 0 384.480 4.374 20 0 GIADRO C[C@@H]1CCC[C@H](OCC(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)C1 ZINC000571638470 823213322 /nfs/dbraw/zinc/21/33/22/823213322.db2.gz VOQWILBRRHHJAE-QAPCUYQASA-N 1 0 394.943 4.347 20 0 GIADRO c1c(C[NH+]2CCC([C@H]3CCCO3)CC2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000188279903 823213540 /nfs/dbraw/zinc/21/35/40/823213540.db2.gz HWRZQYQVKRGFFD-HSZRJFAPSA-N 1 0 388.515 4.325 20 0 GIADRO CCc1ccccc1NC(=O)[C@H](C)[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000459533461 823213638 /nfs/dbraw/zinc/21/36/38/823213638.db2.gz VQWFQIHQIRFFKA-SFHVURJKSA-N 1 0 378.516 4.140 20 0 GIADRO COCc1cc(C[N@H+](Cc2ccc(OC)c(OC)c2)[C@H]2CCCC[C@H]2C)no1 ZINC000459549603 823217948 /nfs/dbraw/zinc/21/79/48/823217948.db2.gz FCEWLNUWFSTSJH-UZLBHIALSA-N 1 0 388.508 4.419 20 0 GIADRO COc1ccc(C(=O)Nc2cccc(C[NH+]3CCC([C@@H]4CCCO4)CC3)c2)cc1 ZINC000188281488 823213948 /nfs/dbraw/zinc/21/39/48/823213948.db2.gz WNIAHGJEZXKFLL-QHCPKHFHSA-N 1 0 394.515 4.339 20 0 GIADRO Cc1cc([C@@H]([NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)c2ccccc2Cl)ccc1F ZINC000571648562 823214183 /nfs/dbraw/zinc/21/41/83/823214183.db2.gz VQWMJMHEEUPJBI-OYHNWAKOSA-N 1 0 386.898 4.477 20 0 GIADRO CC(C)CN(CC[NH+](C)C)C(=O)N[C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000121604388 823214620 /nfs/dbraw/zinc/21/46/20/823214620.db2.gz LNADTWBRZYBLKL-HXUWFJFHSA-N 1 0 388.943 4.054 20 0 GIADRO CC[NH+]1CCC(NC(=O)NCc2nc(-c3ccc(Cl)cc3)c(C)s2)CC1 ZINC000056790714 823214651 /nfs/dbraw/zinc/21/46/51/823214651.db2.gz WCBPUEFVPLNBAV-UHFFFAOYSA-N 1 0 392.956 4.055 20 0 GIADRO COc1ccc([C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C)o2)C(C)C)cc1 ZINC000056812162 823218121 /nfs/dbraw/zinc/21/81/21/823218121.db2.gz WYMVQBWWEBPGMO-OAQYLSRUSA-N 1 0 387.524 4.067 20 0 GIADRO Cc1cc(C)c(Br)c(C(=O)NCc2ccc(C[NH+](C)C)cc2)c1 ZINC000121612088 823215989 /nfs/dbraw/zinc/21/59/89/823215989.db2.gz COJVVXPLQINCNB-UHFFFAOYSA-N 1 0 375.310 4.058 20 0 GIADRO CCc1noc(CC)c1CNC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000176476757 823216501 /nfs/dbraw/zinc/21/65/01/823216501.db2.gz RRJNAORTBNYBRQ-UHFFFAOYSA-N 1 0 391.515 4.361 20 0 GIADRO OCC1([C@H](NCc2nc(-c3ccccc3F)no2)c2ccccc2)CCCC1 ZINC000459545312 823216980 /nfs/dbraw/zinc/21/69/80/823216980.db2.gz PJGOVPFKCSQJSY-HXUWFJFHSA-N 1 0 381.451 4.259 20 0 GIADRO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1C/C=C/c1ccc(OCc2ccccc2)cc1 ZINC000459546016 823217230 /nfs/dbraw/zinc/21/72/30/823217230.db2.gz MBWRGUDHSYJBSP-VNRLOHKYSA-N 1 0 392.543 4.074 20 0 GIADRO COc1ccc([C@H](CNC(=O)c2oc(CC(C)C)nc2C)[NH+]2CCCCC2)cc1 ZINC000188306350 823217304 /nfs/dbraw/zinc/21/73/04/823217304.db2.gz JZAOFKAYVXOOFE-FQEVSTJZSA-N 1 0 399.535 4.147 20 0 GIADRO Cc1cc(F)c(C[NH2+]C2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)c(Cl)c1 ZINC000459550005 823217716 /nfs/dbraw/zinc/21/77/16/823217716.db2.gz OFTHLBJMJDPKEF-UHFFFAOYSA-N 1 0 384.282 4.163 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)N[C@H]2CCSc3ccc(F)cc32)CC1 ZINC000056815369 823218430 /nfs/dbraw/zinc/21/84/30/823218430.db2.gz RXVJJIGODIXSFA-SFHVURJKSA-N 1 0 379.545 4.124 20 0 GIADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccnc(N3CCCC3)c2)[C@H]1Sc1ccccc1 ZINC000459555999 823219505 /nfs/dbraw/zinc/21/95/05/823219505.db2.gz ABWUWVKQMIIIOJ-KCZVDYSFSA-N 1 0 383.561 4.110 20 0 GIADRO CCOc1ccc([C@@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)cc1 ZINC000056827706 823219810 /nfs/dbraw/zinc/21/98/10/823219810.db2.gz RHPQBITYLRAFLD-QGZVFWFLSA-N 1 0 387.499 4.059 20 0 GIADRO C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)C1CC1 ZINC000121638182 823220132 /nfs/dbraw/zinc/22/01/32/823220132.db2.gz SVGPJWJDLUYMNS-GJZGRUSLSA-N 1 0 395.469 4.425 20 0 GIADRO NC(=O)C1CC[NH+](Cc2cccc(N[C@@H]3CC[C@@H](Cc4ccccc4)C3)c2)CC1 ZINC000188331533 823220565 /nfs/dbraw/zinc/22/05/65/823220565.db2.gz AIGVLYDJTZAUFZ-GBXCKJPGSA-N 1 0 391.559 4.207 20 0 GIADRO COc1cccc(OC)c1OC[C@H](O)C[N@@H+]1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000459573516 823223053 /nfs/dbraw/zinc/22/30/53/823223053.db2.gz RBEAPWITXLVCQA-AUSIDOKSSA-N 1 0 397.515 4.061 20 0 GIADRO CCOc1cc(C[NH2+][C@@H]2c3ccccc3O[C@H]2C)cc(Br)c1O ZINC000459562198 823220963 /nfs/dbraw/zinc/22/09/63/823220963.db2.gz ATWSAEXGQIZTKS-GTNSWQLSSA-N 1 0 378.266 4.165 20 0 GIADRO Cc1cnc([C@@H](C)NC(=O)NCc2ccccc2C[NH+]2CCCCCC2)s1 ZINC000176495813 823221056 /nfs/dbraw/zinc/22/10/56/823221056.db2.gz CFWKHYPKSOGVNJ-QGZVFWFLSA-N 1 0 386.565 4.388 20 0 GIADRO CN(Cc1ccc(F)cc1Cl)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176496257 823221270 /nfs/dbraw/zinc/22/12/70/823221270.db2.gz NAMULCZMISPBQK-UHFFFAOYSA-N 1 0 381.923 4.418 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@H](C)c2ccc(Cl)cc2)c1 ZINC000121642709 823221356 /nfs/dbraw/zinc/22/13/56/823221356.db2.gz AYPLRJHYDDXZKT-UONOGXRCSA-N 1 0 376.884 4.425 20 0 GIADRO CCOc1cc(C[NH2+]CCc2cc(C(F)(F)F)ccn2)cc(Cl)c1OC ZINC000571704808 823222084 /nfs/dbraw/zinc/22/20/84/823222084.db2.gz AYXWXCXQJPXLIC-UHFFFAOYSA-N 1 0 388.817 4.493 20 0 GIADRO C[C@H](C[N@H+](CC(=O)Nc1cccc(Cl)c1Cl)[C@@H](C)CO)c1ccccc1 ZINC000571710699 823222568 /nfs/dbraw/zinc/22/25/68/823222568.db2.gz DIPVMJMUPPQOMQ-CABCVRRESA-N 1 0 395.330 4.418 20 0 GIADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CCC(COc2ccccc2)CC1 ZINC000176484376 823218621 /nfs/dbraw/zinc/21/86/21/823218621.db2.gz DLHLLCPQERXYRI-UHFFFAOYSA-N 1 0 399.579 4.284 20 0 GIADRO CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+]2CC3(CCCC3)[C@@H]2c2ccccc2)cc1 ZINC000459574223 823223384 /nfs/dbraw/zinc/22/33/84/823223384.db2.gz RYTIZLDBOZADOJ-GMAHTHKFSA-N 1 0 394.515 4.002 20 0 GIADRO CC(C)Oc1ccc([C@H](C)NC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC000056849173 823223743 /nfs/dbraw/zinc/22/37/43/823223743.db2.gz XFPQROYFOPPDKE-SFHVURJKSA-N 1 0 375.557 4.297 20 0 GIADRO COc1cc(Cl)c(NC(=O)N(CC[NH+](C)C)Cc2ccsc2)cc1C ZINC000459576038 823223960 /nfs/dbraw/zinc/22/39/60/823223960.db2.gz FBVUYRAJCWJYIB-UHFFFAOYSA-N 1 0 381.929 4.314 20 0 GIADRO COCC[N@H+](Cc1c(C)nn(C)c1C)Cc1ccc([C@@H](C)C(F)(F)F)cc1 ZINC000459578531 823224117 /nfs/dbraw/zinc/22/41/17/823224117.db2.gz NQAZGHCQUOMUKW-CQSZACIVSA-N 1 0 383.458 4.351 20 0 GIADRO COc1ccc(-c2ccccc2C)cc1C[N@@H+]1C[C@H](O)C[C@H]1[C@H]1CCCOC1 ZINC000459580327 823224628 /nfs/dbraw/zinc/22/46/28/823224628.db2.gz PDMXSXZIBQBXQQ-WPYKKVEZSA-N 1 0 381.516 4.032 20 0 GIADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@H](C)c2ccccc2C(F)(F)F)o1 ZINC000056854234 823224730 /nfs/dbraw/zinc/22/47/30/823224730.db2.gz PEPGBBGSZQUFBD-OAHLLOKOSA-N 1 0 397.441 4.441 20 0 GIADRO CCOc1cc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCC2)cc(Cl)c1O ZINC000459585616 823225397 /nfs/dbraw/zinc/22/53/97/823225397.db2.gz IQFUBDYUAXSKTB-FQEVSTJZSA-N 1 0 375.896 4.438 20 0 GIADRO C[C@H](CCO)n1c2ccc(NC3CC[NH+](C4CC4)CC3)cc2nc1C(F)(F)F ZINC000459588396 823225908 /nfs/dbraw/zinc/22/59/08/823225908.db2.gz XHGDMJPCFCDNSK-CYBMUJFWSA-N 1 0 396.457 4.037 20 0 GIADRO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3cscc3C(F)(F)F)C2)nc1 ZINC000571728609 823226292 /nfs/dbraw/zinc/22/62/92/823226292.db2.gz UKVYKPMYDIFEDB-ZDUSSCGKSA-N 1 0 383.439 4.321 20 0 GIADRO COc1ccc(-c2csc(CNC(=O)N3CC[C@H](C[NH+]4CCCC4)C3)c2)cc1 ZINC000176515112 823226482 /nfs/dbraw/zinc/22/64/82/823226482.db2.gz APADAPNDXUJTJA-QGZVFWFLSA-N 1 0 399.560 4.051 20 0 GIADRO COc1ccc(-c2ccccc2C)cc1C[NH2+][C@H](C1CC1)C1(CO)CCOCC1 ZINC000459592948 823226764 /nfs/dbraw/zinc/22/67/64/823226764.db2.gz PQBQEKXNNWTFRH-XMMPIXPASA-N 1 0 395.543 4.328 20 0 GIADRO COc1ccc(-c2csc(CNC(=O)N3CCC([NH+]4CCCC4)CC3)c2)cc1 ZINC000176518081 823227299 /nfs/dbraw/zinc/22/72/99/823227299.db2.gz XMXJBJJVJNZJAQ-UHFFFAOYSA-N 1 0 399.560 4.194 20 0 GIADRO CC(C)C[N@H+](CCC(=O)Nc1c(Cl)cccc1Cl)Cc1cnn(C)c1 ZINC000459600330 823227622 /nfs/dbraw/zinc/22/76/22/823227622.db2.gz SPHORMKBMRKRJA-UHFFFAOYSA-N 1 0 383.323 4.214 20 0 GIADRO O=C(C(Cc1ccccc1)Cc1ccccc1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000409475368 823229254 /nfs/dbraw/zinc/22/92/54/823229254.db2.gz DADRMIRKHKSFHC-DEOSSOPVSA-N 1 0 376.544 4.175 20 0 GIADRO CCc1ccc(-c2nn(-c3ccccc3)cc2C[NH+]2CC(c3nc(C)no3)C2)cc1 ZINC000459614668 823230155 /nfs/dbraw/zinc/23/01/55/823230155.db2.gz XEJDAVSECRIGGI-UHFFFAOYSA-N 1 0 399.498 4.393 20 0 GIADRO CC[S@](=O)c1ccccc1C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000121692851 823231498 /nfs/dbraw/zinc/23/14/98/823231498.db2.gz RQYLCWQAKOILIY-CBZJRKILSA-N 1 0 384.545 4.298 20 0 GIADRO Cc1nnc([C@H](C)[NH2+][C@H]2CCN(C(C)(C)C)[C@@H]2c2ccc(Cl)c(F)c2)[nH]1 ZINC000571764132 823231656 /nfs/dbraw/zinc/23/16/56/823231656.db2.gz FJWPOPQBQSNOIA-MZPVMMEZSA-N 1 0 379.911 4.170 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)N(C)Cc1cccs1)[NH+]1CCCCC1 ZINC000056932696 823232200 /nfs/dbraw/zinc/23/22/00/823232200.db2.gz ATTKRLOBUPXLTR-IBGZPJMESA-N 1 0 387.549 4.125 20 0 GIADRO O=C(Nc1ccc(OCc2ccccc2)cc1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000409486681 823232534 /nfs/dbraw/zinc/23/25/34/823232534.db2.gz NXZLMJIQDWSITF-NRFANRHFSA-N 1 0 379.504 4.358 20 0 GIADRO COCc1ccccc1/C=C(\C)C[N@H+](C)CCc1nc(-c2ccccc2)no1 ZINC000571781371 823233571 /nfs/dbraw/zinc/23/35/71/823233571.db2.gz OUAGCZWNDOJIAG-OBGWFSINSA-N 1 0 377.488 4.461 20 0 GIADRO OCC[C@@H]1CCC[C@@H]1[NH2+][C@@H](c1ccc(Br)o1)c1ccc(F)cc1 ZINC000571782993 823233885 /nfs/dbraw/zinc/23/38/85/823233885.db2.gz KFINIPFRNJMRAT-XLWVJDPXSA-N 1 0 382.273 4.411 20 0 GIADRO COc1cc(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)ccc1Cl ZINC000121704404 823234153 /nfs/dbraw/zinc/23/41/53/823234153.db2.gz AZQKPDYPIBJHAC-UHFFFAOYSA-N 1 0 376.909 4.150 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCCN(C(=O)CCC(F)(F)F)C1)c1ccc(F)c(Cl)c1 ZINC000571788242 823234371 /nfs/dbraw/zinc/23/43/71/823234371.db2.gz CVHNVVGNMXTWPI-WCQYABFASA-N 1 0 380.813 4.463 20 0 GIADRO C[C@@H](CCCc1cccnc1)[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000459634942 823234607 /nfs/dbraw/zinc/23/46/07/823234607.db2.gz FXCMBMORYXUTCL-YOEHRIQHSA-N 1 0 383.319 4.129 20 0 GIADRO CCOc1cc(CN(C)C(=O)CC[C@H]([NH3+])c2ccccc2)ccc1OC(F)F ZINC000571789405 823234881 /nfs/dbraw/zinc/23/48/81/823234881.db2.gz HBJXRXSMCNRDJQ-KRWDZBQOSA-N 1 0 392.446 4.125 20 0 GIADRO C[C@@H]([NH2+]CCC1(C)OCCO1)c1ccc(Br)cc1C(F)(F)F ZINC000188407653 823235795 /nfs/dbraw/zinc/23/57/95/823235795.db2.gz VINUBZDOZJUJBG-SNVBAGLBSA-N 1 0 382.220 4.272 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+][C@H](C)CCCc1cccnc1 ZINC000459643268 823236221 /nfs/dbraw/zinc/23/62/21/823236221.db2.gz OBHQMDYXZSTUIT-CABCVRRESA-N 1 0 375.900 4.072 20 0 GIADRO Cc1nc2ccccc2nc1C[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459643875 823236780 /nfs/dbraw/zinc/23/67/80/823236780.db2.gz OSWOZAPVVSGIGQ-SFHVURJKSA-N 1 0 379.426 4.119 20 0 GIADRO CCC[NH+]1CCC(NC(=O)CSCc2ccc(Cl)cc2Cl)CC1 ZINC000056968779 823236943 /nfs/dbraw/zinc/23/69/43/823236943.db2.gz PMECGBQSFQXNQO-UHFFFAOYSA-N 1 0 375.365 4.217 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)CCCc1cccnc1)C(=O)Nc1cccc(Br)c1 ZINC000459645353 823237139 /nfs/dbraw/zinc/23/71/39/823237139.db2.gz QUXPPGOEDFWBSZ-LSDHHAIUSA-N 1 0 390.325 4.172 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(C)[C@H]1c1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000571811477 823237990 /nfs/dbraw/zinc/23/79/90/823237990.db2.gz VZCOWWBHYIEMNO-KYNGSXCRSA-N 1 0 391.437 4.067 20 0 GIADRO FC(F)(F)[C@H]1CC[N@H+](Cc2cc(-n3ccnc3)cs2)CC12CCOCC2 ZINC000459649448 823238603 /nfs/dbraw/zinc/23/86/03/823238603.db2.gz LZCLBSHQAUSUMA-INIZCTEOSA-N 1 0 385.455 4.115 20 0 GIADRO C[C@@H](CCCc1cccnc1)[NH2+]CC(=O)N(Cc1ccco1)c1ccccc1 ZINC000459649941 823238794 /nfs/dbraw/zinc/23/87/94/823238794.db2.gz WPMCVGHNIOBXIS-IBGZPJMESA-N 1 0 377.488 4.209 20 0 GIADRO C[C@H](CCCc1cccnc1)[NH2+][C@H](C)C(=O)Nc1ccccc1OC(F)F ZINC000459650605 823239167 /nfs/dbraw/zinc/23/91/67/823239167.db2.gz YGFUGBHETPFHIT-HUUCEWRRSA-N 1 0 377.435 4.011 20 0 GIADRO FC(F)(F)[C@@H]1CC[N@H+](Cc2c(C3CC3)nc3sccn23)CC12CCOCC2 ZINC000459651646 823239557 /nfs/dbraw/zinc/23/95/57/823239557.db2.gz PQSOZELLRKOTFK-OAHLLOKOSA-N 1 0 399.482 4.454 20 0 GIADRO CCN(C(=O)[C@H](C)[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1)c1ccccc1 ZINC000459651496 823239602 /nfs/dbraw/zinc/23/96/02/823239602.db2.gz ZCDIKCQXVHECDL-FUHWJXTLSA-N 1 0 398.469 4.109 20 0 GIADRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cnn(-c3ccccc3C)c2C(C)C)C1 ZINC000188427656 823239774 /nfs/dbraw/zinc/23/97/74/823239774.db2.gz PFPYMHGSDXERIL-LJQANCHMSA-N 1 0 382.552 4.108 20 0 GIADRO CN(CC1CC[NH+](C)CC1)C(=O)c1ccc2noc(-c3ccc(F)cc3)c2c1 ZINC000121737539 823239990 /nfs/dbraw/zinc/23/99/90/823239990.db2.gz QHKCWQDKJCHVLC-UHFFFAOYSA-N 1 0 381.451 4.048 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(OC)c(SC)c1)c1ccco1 ZINC000459654106 823240200 /nfs/dbraw/zinc/24/02/00/823240200.db2.gz ZANCEGJSUPJINS-HNNXBMFYSA-N 1 0 377.510 4.215 20 0 GIADRO COC(=O)c1oc([C@H](C)[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)cc1C ZINC000459653861 823240418 /nfs/dbraw/zinc/24/04/18/823240418.db2.gz DQHSTVQKDZIESB-ZFWWWQNUSA-N 1 0 389.414 4.117 20 0 GIADRO COc1ccc(NC(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1SC ZINC000459654416 823240763 /nfs/dbraw/zinc/24/07/63/823240763.db2.gz ZIHPOWGOIGLFED-QGZVFWFLSA-N 1 0 391.581 4.393 20 0 GIADRO C[NH+](C)CCOc1ccc(-c2noc([C@@H]3C[C@H]3c3ccc(F)cc3F)n2)cc1 ZINC000571838271 823242720 /nfs/dbraw/zinc/24/27/20/823242720.db2.gz HXGGECVVHHXPKP-ZWKOTPCHSA-N 1 0 385.414 4.226 20 0 GIADRO C[NH+](C)Cc1cc(-c2noc(-c3cscc3Br)n2)ccc1F ZINC000571839733 823242790 /nfs/dbraw/zinc/24/27/90/823242790.db2.gz YBAJQOZVZKIHEP-UHFFFAOYSA-N 1 0 382.258 4.428 20 0 GIADRO FC(F)(F)[C@@H]1CC[N@H+](Cc2conc2Cc2ccccc2)CC12CCOCC2 ZINC000459657436 823242115 /nfs/dbraw/zinc/24/21/15/823242115.db2.gz WVKAVEZDTPUSLR-LJQANCHMSA-N 1 0 394.437 4.446 20 0 GIADRO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@@H](C)c1nc2c(s1)CCC2 ZINC000459657860 823242162 /nfs/dbraw/zinc/24/21/62/823242162.db2.gz XNVLGZVNPZKGRV-KBPBESRZSA-N 1 0 391.968 4.373 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)CC(=O)N(C)Cc1ccccc1Cl)c1nc2c(s1)CCC2 ZINC000459657864 823242179 /nfs/dbraw/zinc/24/21/79/823242179.db2.gz XNVLGZVNPZKGRV-UONOGXRCSA-N 1 0 391.968 4.373 20 0 GIADRO CCCOc1c(Br)cc(C[NH2+]CC(C)(C)N(C)C)cc1OCC ZINC000409531554 823242980 /nfs/dbraw/zinc/24/29/80/823242980.db2.gz SMUHQCPWNSENKH-UHFFFAOYSA-N 1 0 387.362 4.066 20 0 GIADRO FC(F)(F)c1nnc(N2CCC[N@H+](Cc3ccc4occc4c3)CC2)s1 ZINC000571842897 823243696 /nfs/dbraw/zinc/24/36/96/823243696.db2.gz YHEAYXLAERDCSC-UHFFFAOYSA-N 1 0 382.411 4.015 20 0 GIADRO CC(C)(C)c1cnc(CCC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)o1 ZINC000188464616 823244632 /nfs/dbraw/zinc/24/46/32/823244632.db2.gz SDCYDSXSIMYDOF-IHWFROFDSA-N 1 0 395.547 4.217 20 0 GIADRO C/C(=C\c1ccccc1OC(F)F)C[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000571846718 823244741 /nfs/dbraw/zinc/24/47/41/823244741.db2.gz FRYAWHJDMQRUNB-JQIJEIRASA-N 1 0 378.463 4.168 20 0 GIADRO COc1cccc(Cl)c1C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000188468408 823245219 /nfs/dbraw/zinc/24/52/19/823245219.db2.gz AKNUICFUCXXPDT-UHFFFAOYSA-N 1 0 393.314 4.396 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1cc2ccccc2s1 ZINC000188466801 823245239 /nfs/dbraw/zinc/24/52/39/823245239.db2.gz RLQXSRKKTHQEJO-HNNXBMFYSA-N 1 0 386.542 4.292 20 0 GIADRO Cc1sc(CC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)nc1C(C)C ZINC000571849501 823245365 /nfs/dbraw/zinc/24/53/65/823245365.db2.gz TXJOTRYLDMWFKM-WMZOPIPTSA-N 1 0 377.598 4.230 20 0 GIADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)Nc1cc(OC)c(Cl)c(OC)c1)c1ccco1 ZINC000459666389 823245738 /nfs/dbraw/zinc/24/57/38/823245738.db2.gz MNHBYJSZHKUMKM-JSGCOSHPSA-N 1 0 395.887 4.201 20 0 GIADRO COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000459667771 823246027 /nfs/dbraw/zinc/24/60/27/823246027.db2.gz ORKNIOJNYWTXBH-CVEARBPZSA-N 1 0 378.476 4.072 20 0 GIADRO C[C@@H](NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)c1ccc(-c2cccnc2)cc1 ZINC000176603447 823246437 /nfs/dbraw/zinc/24/64/37/823246437.db2.gz SMKVUQUKRCCQIA-XXBNENTESA-N 1 0 392.547 4.470 20 0 GIADRO C[C@@H](NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccc(-c2cccnc2)cc1 ZINC000176605443 823246712 /nfs/dbraw/zinc/24/67/12/823246712.db2.gz HEOJHLQRAVJQIP-AUSIDOKSSA-N 1 0 392.547 4.470 20 0 GIADRO CC(C)N(Cc1cccnc1)C(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000121771779 823247160 /nfs/dbraw/zinc/24/71/60/823247160.db2.gz SZLBXULHHSPXPQ-PMACEKPBSA-N 1 0 394.563 4.158 20 0 GIADRO Cc1ccc(C)c(-n2cnc3cc(C(=O)N4CCC(C[NH+](C)C)CC4)ccc32)c1 ZINC000409554748 823248550 /nfs/dbraw/zinc/24/85/50/823248550.db2.gz LQNNRGWXXMMRHM-UHFFFAOYSA-N 1 0 390.531 4.056 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000121778645 823248772 /nfs/dbraw/zinc/24/87/72/823248772.db2.gz JUGQOLPXKMXFOQ-HOTGVXAUSA-N 1 0 393.487 4.404 20 0 GIADRO COC1CCC([NH2+]Cc2cc(Br)cc(Br)c2)CC1 ZINC000459679954 823249314 /nfs/dbraw/zinc/24/93/14/823249314.db2.gz PCDPGOKLVVPYGG-UHFFFAOYSA-N 1 0 377.120 4.259 20 0 GIADRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000571881274 823249338 /nfs/dbraw/zinc/24/93/38/823249338.db2.gz XOKFCYZYACZGTA-MRXNPFEDSA-N 1 0 384.348 4.099 20 0 GIADRO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000459680808 823249677 /nfs/dbraw/zinc/24/96/77/823249677.db2.gz RJXYYMXMHFSADU-ZNLUXHQJSA-N 1 0 376.500 4.182 20 0 GIADRO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)c1csc(C2CCCCC2)n1 ZINC000571888382 823249872 /nfs/dbraw/zinc/24/98/72/823249872.db2.gz NEVUAHLSCRHHEG-UHFFFAOYSA-N 1 0 386.565 4.180 20 0 GIADRO COc1ccc(NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1SC ZINC000459692107 823251483 /nfs/dbraw/zinc/25/14/83/823251483.db2.gz YUOQGWAGKHVTEZ-KRWDZBQOSA-N 1 0 385.533 4.061 20 0 GIADRO C[N@H+](CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000459692956 823251865 /nfs/dbraw/zinc/25/18/65/823251865.db2.gz ILVAQVNRVITLNG-FXAWDEMLSA-N 1 0 399.922 4.036 20 0 GIADRO CCc1nc([C@H](C)NC(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cs1 ZINC000176652205 823257670 /nfs/dbraw/zinc/25/76/70/823257670.db2.gz DDPFUUGHUSJUJZ-DEYYWGMASA-N 1 0 392.594 4.210 20 0 GIADRO O=C(N[C@H]1CCSc2ccc(F)cc21)C1CC[NH+](Cc2ccccc2)CC1 ZINC000057138473 823253882 /nfs/dbraw/zinc/25/38/82/823253882.db2.gz MBYJBAFRLCMQPP-FQEVSTJZSA-N 1 0 384.520 4.391 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)Cc1ccccc1OCc1ccncc1 ZINC000459730885 823257856 /nfs/dbraw/zinc/25/78/56/823257856.db2.gz BZUGHPNPWAGUTE-UHFFFAOYSA-N 1 0 381.545 4.286 20 0 GIADRO C[C@@H](CCC(F)(F)F)[NH2+]C[C@@H](CO)Cc1cc(F)cc(Br)c1 ZINC000459709931 823255164 /nfs/dbraw/zinc/25/51/64/823255164.db2.gz UFVYCMYCDSPPFK-JQWIXIFHSA-N 1 0 386.227 4.060 20 0 GIADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@@H](C)[C@@H]2CC3CCC2CC3)CC1 ZINC000571927524 823255374 /nfs/dbraw/zinc/25/53/74/823255374.db2.gz YWIUBOUNMQGYND-OYIZDHKVSA-N 1 0 384.568 4.121 20 0 GIADRO Cc1ccc(Cc2ccccn2)cc1NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000571942690 823257917 /nfs/dbraw/zinc/25/79/17/823257917.db2.gz JXPQEDZRKUPPSA-NRFANRHFSA-N 1 0 394.544 4.467 20 0 GIADRO Cc1cc(O[C@H](C)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)ccc1C(C)C ZINC000057167745 823257941 /nfs/dbraw/zinc/25/79/41/823257941.db2.gz WKWPELXNJHKRBD-LJQANCHMSA-N 1 0 395.547 4.062 20 0 GIADRO COC(=O)c1cc(C[NH2+][C@@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)c(C)s1 ZINC000571928285 823255775 /nfs/dbraw/zinc/25/57/75/823255775.db2.gz AGHAATWPBVKHCN-SJLPKXTDSA-N 1 0 378.925 4.032 20 0 GIADRO O=C(NNc1ccccc1C(F)(F)F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000057153708 823256026 /nfs/dbraw/zinc/25/60/26/823256026.db2.gz XVFVRAKQUHFTNR-UHFFFAOYSA-N 1 0 377.410 4.061 20 0 GIADRO COc1ccc([C@@H](NC(=O)C2CC[NH+](Cc3ccccc3)CC2)C2CC2)cc1 ZINC000057155217 823256340 /nfs/dbraw/zinc/25/63/40/823256340.db2.gz YQAFVSNDOHRJMU-QHCPKHFHSA-N 1 0 378.516 4.175 20 0 GIADRO C[C@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccc(OC(F)F)cc1 ZINC000057154876 823256350 /nfs/dbraw/zinc/25/63/50/823256350.db2.gz IRUUNJBBGOODTE-INIZCTEOSA-N 1 0 388.458 4.377 20 0 GIADRO c1c(C[N@@H+]2CC3(CCC3)[C@H]3COC[C@H]32)c(-c2ccccn2)nn1C1CCCC1 ZINC000459721562 823256397 /nfs/dbraw/zinc/25/63/97/823256397.db2.gz ORDMAZUZQJKRGA-PZJWPPBQSA-N 1 0 378.520 4.061 20 0 GIADRO C[C@H](CNC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1)[NH+]1CCCCC1 ZINC000057164300 823257241 /nfs/dbraw/zinc/25/72/41/823257241.db2.gz KFEJGFPWGAEOLX-IAGOWNOFSA-N 1 0 386.565 4.060 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)C1c2ccccc2Oc2ccccc21 ZINC000057166472 823257499 /nfs/dbraw/zinc/25/74/99/823257499.db2.gz ZDTXXBASPHFWIF-UHFFFAOYSA-N 1 0 399.494 4.100 20 0 GIADRO COCCOc1ccc(C[NH+]2CCC(Oc3ccc(C)cc3)CC2)cc1OC ZINC000121819954 823257524 /nfs/dbraw/zinc/25/75/24/823257524.db2.gz OSEVYGQJRMZHMR-UHFFFAOYSA-N 1 0 385.504 4.072 20 0 GIADRO COc1ccc([C@H](CO)C[NH2+]C2CC(c3cccc(Br)c3)C2)cc1 ZINC000459733262 823258456 /nfs/dbraw/zinc/25/84/56/823258456.db2.gz JSESZQXDCRDORD-HFCFLWKCSA-N 1 0 390.321 4.069 20 0 GIADRO Cc1ccc(OCC(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1C ZINC000571947086 823258607 /nfs/dbraw/zinc/25/86/07/823258607.db2.gz POEZUVNCEULIGI-UHFFFAOYSA-N 1 0 392.543 4.197 20 0 GIADRO CC(C)[NH+]1CCC(C(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)c[nH]2)CC1 ZINC000571950235 823258969 /nfs/dbraw/zinc/25/89/69/823258969.db2.gz ZTHDLHPRHGRVFL-OAQYLSRUSA-N 1 0 380.536 4.251 20 0 GIADRO COc1ccc([C@@H](CO)C[NH2+]C/C(C)=C\c2ccccc2OC(F)F)cc1 ZINC000459742025 823259098 /nfs/dbraw/zinc/25/90/98/823259098.db2.gz KMNQRFNUAQFRIT-VHUCWBOISA-N 1 0 377.431 4.066 20 0 GIADRO COc1cc(C[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)ccc1OCC(F)(F)F ZINC000459744256 823259503 /nfs/dbraw/zinc/25/95/03/823259503.db2.gz DKPDEWCYJQKAAY-DLBZAZTESA-N 1 0 387.442 4.009 20 0 GIADRO CC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000459772900 823263237 /nfs/dbraw/zinc/26/32/37/823263237.db2.gz UWQPPOZYESBKDX-OTWHNJEPSA-N 1 0 375.310 4.285 20 0 GIADRO COc1cc(-c2noc(C[NH2+]C3(C4CCC4)CCC3)n2)ccc1OC(F)F ZINC000459748103 823260087 /nfs/dbraw/zinc/26/00/87/823260087.db2.gz HTENISLRGODERV-UHFFFAOYSA-N 1 0 379.407 4.159 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1cccc(CO)c1 ZINC000121835753 823260206 /nfs/dbraw/zinc/26/02/06/823260206.db2.gz CSLOQNQXGMXQSD-MGPUTAFESA-N 1 0 378.438 4.123 20 0 GIADRO O[C@@H]1CC[N@H+](Cc2ccnc3c(Br)cccc23)C[C@H]1C1CCCC1 ZINC000459750667 823260388 /nfs/dbraw/zinc/26/03/88/823260388.db2.gz JLOWLQIIWYQXSR-PKOBYXMFSA-N 1 0 389.337 4.370 20 0 GIADRO C[C@H](CCc1ccccc1F)[NH2+][C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000459751889 823260611 /nfs/dbraw/zinc/26/06/11/823260611.db2.gz BQKYPXPDONHBCW-ZNOIYHFQSA-N 1 0 393.300 4.424 20 0 GIADRO COc1cc(OC)cc(OCCC[NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)c1 ZINC000571959547 823260652 /nfs/dbraw/zinc/26/06/52/823260652.db2.gz FJTWZCRRXDAPCP-QHCPKHFHSA-N 1 0 396.462 4.386 20 0 GIADRO C[C@@H]1OCC[C@@]1(O)C[N@H+](Cc1csc(Br)c1)Cc1ccccc1 ZINC000571961352 823261000 /nfs/dbraw/zinc/26/10/00/823261000.db2.gz TWJRZDHSCZZOSO-KBXCAEBGSA-N 1 0 396.350 4.053 20 0 GIADRO Clc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCO[C@H]1c1cncc(Br)c1)C2 ZINC000459757856 823261183 /nfs/dbraw/zinc/26/11/83/823261183.db2.gz HRAHGWIKRRIQIP-KURKYZTESA-N 1 0 393.712 4.085 20 0 GIADRO Cc1cc(Cl)cc(C[NH2+][C@@H]2CCO[C@H]2c2cncc(Br)c2)c1 ZINC000459760021 823261615 /nfs/dbraw/zinc/26/16/15/823261615.db2.gz JJWXHTNFMFWXRC-SJORKVTESA-N 1 0 381.701 4.426 20 0 GIADRO Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]C1CCN(C(=O)c2ccco2)CC1 ZINC000121845994 823261834 /nfs/dbraw/zinc/26/18/34/823261834.db2.gz ZZQAVPSNHPNUCS-GOSISDBHSA-N 1 0 388.895 4.350 20 0 GIADRO FC(F)Oc1ccc(C[NH2+][C@@H]2CCO[C@H]2c2cncc(Br)c2)cc1 ZINC000459766177 823262079 /nfs/dbraw/zinc/26/20/79/823262079.db2.gz PDPJXDJLJUBERB-CVEARBPZSA-N 1 0 399.235 4.065 20 0 GIADRO Fc1ccc2cc(C[NH2+][C@@H]3CCO[C@H]3c3cncc(Br)c3)[nH]c2c1 ZINC000459765213 823262276 /nfs/dbraw/zinc/26/22/76/823262276.db2.gz ONADAQQLYFKWHL-AEFFLSMTSA-N 1 0 390.256 4.084 20 0 GIADRO C[C@H]1CCN(C(=O)NC[C@@H]2CCCC(F)(F)C2)CC[N@@H+]1Cc1ccccc1 ZINC000409616003 823262636 /nfs/dbraw/zinc/26/26/36/823262636.db2.gz BTIIPGUXFSRXOB-PKOBYXMFSA-N 1 0 379.495 4.118 20 0 GIADRO CC[C@H](C[NH2+][C@@H]1CCO[C@H]1c1cncc(Br)c1)c1ccccc1 ZINC000459776983 823263697 /nfs/dbraw/zinc/26/36/97/823263697.db2.gz YIQCGGKMQAIKFR-ZMYBRWDISA-N 1 0 375.310 4.458 20 0 GIADRO CS(=O)(=O)c1cccc([C@@H]([NH2+]C[C@@H]2CCC=CO2)c2ccc(Cl)cc2)c1 ZINC000188578570 823264721 /nfs/dbraw/zinc/26/47/21/823264721.db2.gz YKSJTJOKCXOOMH-ICSRJNTNSA-N 1 0 391.920 4.115 20 0 GIADRO CS(=O)(=O)c1cccc([C@@H]([NH2+]C[C@H]2CCC=CO2)c2ccc(Cl)cc2)c1 ZINC000188578610 823264802 /nfs/dbraw/zinc/26/48/02/823264802.db2.gz YKSJTJOKCXOOMH-QUCCMNQESA-N 1 0 391.920 4.115 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@@H]2CCCC(F)(F)C2)CC1 ZINC000409626163 823265216 /nfs/dbraw/zinc/26/52/16/823265216.db2.gz QYQHKOXNCUWLFT-DLBZAZTESA-N 1 0 379.495 4.337 20 0 GIADRO Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)cc1 ZINC000572010864 823268937 /nfs/dbraw/zinc/26/89/37/823268937.db2.gz SKZLSMCFZCHAMA-GCJKJVERSA-N 1 0 397.494 4.069 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccccc2-n2cccn2)cc1NC(C)=O ZINC000121863523 823265469 /nfs/dbraw/zinc/26/54/69/823265469.db2.gz FSXJSDKIRVRWTI-CVEARBPZSA-N 1 0 378.476 4.251 20 0 GIADRO O=C(c1cn(Cc2ccccc2)c2ccccc12)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000572010564 823268965 /nfs/dbraw/zinc/26/89/65/823268965.db2.gz CBXZWXLETXVZBI-QHCPKHFHSA-N 1 0 387.527 4.294 20 0 GIADRO Cc1nc(-c2ccc(C)cc2NC(=O)C[NH2+][C@@H](C)c2ccc(Cl)cc2)n[nH]1 ZINC000459790916 823265615 /nfs/dbraw/zinc/26/56/15/823265615.db2.gz ZMHVTQIKGGIJPP-ZDUSSCGKSA-N 1 0 383.883 4.031 20 0 GIADRO C=CC(=O)NCc1ccc(C(=O)Nc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)cc1 ZINC000057216375 823265706 /nfs/dbraw/zinc/26/57/06/823265706.db2.gz MZZDVISYXSZHHV-SFHVURJKSA-N 1 0 391.515 4.116 20 0 GIADRO Cc1nc(-c2ccc(CCNC(=O)Nc3cccc4c3CC[NH2+]C4)s2)cs1 ZINC000572010925 823269029 /nfs/dbraw/zinc/26/90/29/823269029.db2.gz XAIAPGBDVXSOAX-UHFFFAOYSA-N 1 0 398.557 4.190 20 0 GIADRO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1scnc1C(F)(F)F ZINC000459865596 823269112 /nfs/dbraw/zinc/26/91/12/823269112.db2.gz SJYDEMKJOQZZAG-UHFFFAOYSA-N 1 0 375.460 4.081 20 0 GIADRO CCN1CCC([NH+]2CCC(C(=O)N(Cc3cccc(C)c3)CC(C)C)CC2)CC1 ZINC000572011962 823269208 /nfs/dbraw/zinc/26/92/08/823269208.db2.gz INFZZIXUAMFGPO-UHFFFAOYSA-N 1 0 399.623 4.176 20 0 GIADRO C[C@H]([NH2+]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1)c1ncc(Br)cc1F ZINC000188600554 823269985 /nfs/dbraw/zinc/26/99/85/823269985.db2.gz NVCXDHKPOPHFHQ-PKFCDNJMSA-N 1 0 399.226 4.117 20 0 GIADRO CC(C)OCC[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)CC1 ZINC000176696050 823270175 /nfs/dbraw/zinc/27/01/75/823270175.db2.gz FHJWKJXQMLHVSS-RTBURBONSA-N 1 0 399.362 4.103 20 0 GIADRO CSc1cccc(F)c1C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000409640094 823270208 /nfs/dbraw/zinc/27/02/08/823270208.db2.gz SWNOTSKXIVKNSB-UHFFFAOYSA-N 1 0 386.536 4.328 20 0 GIADRO C[C@@H]1CCC[C@@H]([NH+]2CCC(Nc3ccc(Cc4nnc5n4CCC5)cc3)CC2)C1 ZINC000188603850 823270964 /nfs/dbraw/zinc/27/09/64/823270964.db2.gz MHTNWQCAONRINF-XMSQKQJNSA-N 1 0 393.579 4.270 20 0 GIADRO C[C@@H](C(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1)c1ccc(Br)cc1 ZINC000572032968 823271779 /nfs/dbraw/zinc/27/17/79/823271779.db2.gz JRFDTEVCFBVXSM-ACJLOTCBSA-N 1 0 393.300 4.111 20 0 GIADRO CC[NH+](CC)CCOc1cc(NC(=O)c2c(F)ccc(F)c2F)ccc1OC ZINC000121896655 823272347 /nfs/dbraw/zinc/27/23/47/823272347.db2.gz VODMEZFOLXTDCD-UHFFFAOYSA-N 1 0 396.409 4.085 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2c[nH]nc2-c2ccsc2)CC1 ZINC000188610615 823272601 /nfs/dbraw/zinc/27/26/01/823272601.db2.gz OYTMTMRDAPDCPS-INIZCTEOSA-N 1 0 386.565 4.255 20 0 GIADRO Oc1ccc(Br)cc1/C=N/C[C@H](c1cccs1)[NH+]1CCCC1 ZINC000005293112 817569936 /nfs/dbraw/zinc/56/99/36/817569936.db2.gz YOGJXTFYVGDGGC-SKCQWOFPSA-N 1 0 379.323 4.472 20 0 GIADRO Cc1nc(C)n(C[C@H]2CCC[N@@H+](Cc3cn(-c4ccccc4)nc3C(C)C)C2)n1 ZINC000121909726 823274955 /nfs/dbraw/zinc/27/49/55/823274955.db2.gz NLDVGKLCVBUTEX-FQEVSTJZSA-N 1 0 392.551 4.116 20 0 GIADRO CC[C@@H]([NH2+]C1CCN(c2cccnn2)CC1)c1ccc2cc(OC)ccc2c1 ZINC000572073054 823278108 /nfs/dbraw/zinc/27/81/08/823278108.db2.gz GFWBXSQPWNZMHP-JOCHJYFZSA-N 1 0 376.504 4.348 20 0 GIADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)CCc2cccc(Br)c2)C1 ZINC000121925231 823278242 /nfs/dbraw/zinc/27/82/42/823278242.db2.gz PGWJNSQIYBVRDC-MRXNPFEDSA-N 1 0 381.358 4.010 20 0 GIADRO Cc1ccc([C@H]([NH2+]C/C=C/c2ccc(F)c(F)c2)[C@H](C)S(C)(=O)=O)cc1 ZINC000572079476 823279208 /nfs/dbraw/zinc/27/92/08/823279208.db2.gz CRUKLKWKWFEKBQ-BMSLLPBFSA-N 1 0 379.472 4.050 20 0 GIADRO CCCOc1ccc(C[N@@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)cc1OC ZINC000572080310 823279621 /nfs/dbraw/zinc/27/96/21/823279621.db2.gz JWZDOACRXRBKKM-HSZRJFAPSA-N 1 0 387.495 4.050 20 0 GIADRO O=C(Nc1cc(F)ccc1Br)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000176716739 823275794 /nfs/dbraw/zinc/27/57/94/823275794.db2.gz ZNMXOTOMQOREPN-UHFFFAOYSA-N 1 0 384.293 4.070 20 0 GIADRO CCOc1cc(C[NH2+][C@H]2CCC[C@@H](N3CCCC3=O)C2)ccc1OCC(C)C ZINC000572060367 823275863 /nfs/dbraw/zinc/27/58/63/823275863.db2.gz OUVUUTHZRKEOKW-VQTJNVASSA-N 1 0 388.552 4.143 20 0 GIADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1cc(F)c(Br)cc1F ZINC000121935166 823280083 /nfs/dbraw/zinc/28/00/83/823280083.db2.gz QTHDBHCGPWOZEC-NSHDSACASA-N 1 0 390.272 4.065 20 0 GIADRO CSC[C@H](C)NC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000572061787 823276242 /nfs/dbraw/zinc/27/62/42/823276242.db2.gz BCMPWWMILGSZBN-YQCLPMHJSA-N 1 0 396.000 4.305 20 0 GIADRO C[C@H](NC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1)c1ccccn1 ZINC000057286381 823276244 /nfs/dbraw/zinc/27/62/44/823276244.db2.gz OSRRMBLMOSBDGQ-SFHVURJKSA-N 1 0 380.536 4.407 20 0 GIADRO COc1c(Cl)cccc1NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000572082184 823280133 /nfs/dbraw/zinc/28/01/33/823280133.db2.gz YTWGQOXYWJCLAW-ROUUACIJSA-N 1 0 399.922 4.334 20 0 GIADRO Cc1cc(Sc2ncccn2)ccc1NC(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000121934549 823280145 /nfs/dbraw/zinc/28/01/45/823280145.db2.gz RPYBMFLDZLQVAW-QGZVFWFLSA-N 1 0 399.564 4.036 20 0 GIADRO FC(F)Oc1ccc(NC(=S)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000006336488 817678984 /nfs/dbraw/zinc/67/89/84/817678984.db2.gz IBBFWQFMKJODQS-INIZCTEOSA-N 1 0 395.475 4.395 20 0 GIADRO O=C(c1ccc(OC(F)F)c(F)c1)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000460028213 823280815 /nfs/dbraw/zinc/28/08/15/823280815.db2.gz RCASBYSFWLNXPM-OAHLLOKOSA-N 1 0 376.378 4.052 20 0 GIADRO Cc1ccc(CC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C(F)(F)F)s1 ZINC000057346613 823280999 /nfs/dbraw/zinc/28/09/99/823280999.db2.gz UNWJFEYWHJYDBQ-UHFFFAOYSA-N 1 0 397.466 4.008 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)C[C@@H](c2ccccc2)C(F)(F)F)cc1F ZINC000121940404 823281444 /nfs/dbraw/zinc/28/14/44/823281444.db2.gz KOEBDTHKRUSLHS-KRWDZBQOSA-N 1 0 382.401 4.240 20 0 GIADRO Cc1c(Br)cccc1C[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000572090098 823281780 /nfs/dbraw/zinc/28/17/80/823281780.db2.gz SQEDUFGAFVHBGD-FOIQADDNSA-N 1 0 388.353 4.153 20 0 GIADRO CN(C)C(=O)c1ccc(C[NH2+]CC2(c3cccc(C(F)(F)F)c3)CCCC2)[nH]1 ZINC000176741490 823282629 /nfs/dbraw/zinc/28/26/29/823282629.db2.gz DCCOTIMVQWCQBL-UHFFFAOYSA-N 1 0 393.453 4.337 20 0 GIADRO Cc1ncc(NC(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c(C2CC2)n1 ZINC000572100998 823283494 /nfs/dbraw/zinc/28/34/94/823283494.db2.gz HSSVAYPWJJGVTO-MRXNPFEDSA-N 1 0 393.535 4.216 20 0 GIADRO C[C@H](CC[NH2+]Cc1csc(CNC(=O)c2ccccc2)n1)c1ccccc1 ZINC000572105215 823283892 /nfs/dbraw/zinc/28/38/92/823283892.db2.gz WFQAWICTEOAIJV-QGZVFWFLSA-N 1 0 379.529 4.357 20 0 GIADRO O[C@@]1(C[NH2+]Cc2ccc(-c3ccccc3Br)s2)CCSC1 ZINC000176751313 823284293 /nfs/dbraw/zinc/28/42/93/823284293.db2.gz WSZDFAJVHDSDOL-MRXNPFEDSA-N 1 0 384.364 4.135 20 0 GIADRO O=C(C[NH+]1CCCCCC1)Nc1ccc(NCc2cc3cccnc3o2)cc1 ZINC000572106379 823284400 /nfs/dbraw/zinc/28/44/00/823284400.db2.gz UUGWUROIRFZVCF-UHFFFAOYSA-N 1 0 378.476 4.254 20 0 GIADRO [NH3+]Cc1ccc(CNC(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)cc1 ZINC000572119483 823285914 /nfs/dbraw/zinc/28/59/14/823285914.db2.gz TXKFXXCRDUHXGE-UHFFFAOYSA-N 1 0 377.410 4.038 20 0 GIADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000572124427 823286634 /nfs/dbraw/zinc/28/66/34/823286634.db2.gz VYBQUYSDTZLYSC-HNNXBMFYSA-N 1 0 378.822 4.091 20 0 GIADRO O=C(NC[C@@H]1CCCc2ccccc21)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000409709951 823287825 /nfs/dbraw/zinc/28/78/25/823287825.db2.gz JCYVNOUGAULNQE-NRFANRHFSA-N 1 0 380.557 4.085 20 0 GIADRO COc1cc([C@@H](C)[NH2+]CCc2ccccc2OC(F)F)cc(OC)c1OC ZINC000188715250 823291602 /nfs/dbraw/zinc/29/16/02/823291602.db2.gz KZRIRLZMHVIJHO-CYBMUJFWSA-N 1 0 381.419 4.207 20 0 GIADRO CCN(C(=O)Nc1ccc2c(c1)C(=O)CCC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000460124336 823289414 /nfs/dbraw/zinc/28/94/14/823289414.db2.gz JZDUCVGCMNUWLA-OAQYLSRUSA-N 1 0 391.515 4.334 20 0 GIADRO Cc1cc2ccccc2n1CC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000007257922 817805901 /nfs/dbraw/zinc/80/59/01/817805901.db2.gz YVRLAZKNVKAJFL-UHFFFAOYSA-N 1 0 375.516 4.252 20 0 GIADRO C[C@@H](NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccc(F)cc1F ZINC000057396897 823290247 /nfs/dbraw/zinc/29/02/47/823290247.db2.gz YKIBCXRBXITLRY-CQSZACIVSA-N 1 0 391.437 4.129 20 0 GIADRO CCOc1ccccc1CN(C)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000057398855 823290802 /nfs/dbraw/zinc/29/08/02/823290802.db2.gz BIXYPQMXFRHVTE-NRFANRHFSA-N 1 0 381.520 4.064 20 0 GIADRO S=C(NCCc1ccccc1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000007402916 817831569 /nfs/dbraw/zinc/83/15/69/817831569.db2.gz VAQZSXMDRNCHCH-UHFFFAOYSA-N 1 0 387.980 4.011 20 0 GIADRO O=C(COc1ccc(Cl)cc1Cl)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000007406352 817832526 /nfs/dbraw/zinc/83/25/26/817832526.db2.gz QSGAIHDJAUHGTQ-INIZCTEOSA-N 1 0 397.302 4.309 20 0 GIADRO CCCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(Br)cc1Br ZINC000057406159 823292074 /nfs/dbraw/zinc/29/20/74/823292074.db2.gz LWDMXJVVVDUGGR-JTQLQIEISA-N 1 0 392.135 4.271 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1cccc(-c2ccccn2)c1C)c1ccco1 ZINC000122008208 823292169 /nfs/dbraw/zinc/29/21/69/823292169.db2.gz SIKKEHJSKVGOHY-NRFANRHFSA-N 1 0 377.488 4.463 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1)c1ccccc1OC(F)F ZINC000122007467 823292263 /nfs/dbraw/zinc/29/22/63/823292263.db2.gz WCEFRAXAAJLFRD-QWHCGFSZSA-N 1 0 384.448 4.071 20 0 GIADRO O=C(CSc1nc2ccccc2o1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000007448497 817844003 /nfs/dbraw/zinc/84/40/03/817844003.db2.gz PPQVSZXNTYJCRD-UHFFFAOYSA-N 1 0 395.528 4.222 20 0 GIADRO O=C1C[C@H](C[NH2+]Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)CN1C1CC1 ZINC000572167551 823293311 /nfs/dbraw/zinc/29/33/11/823293311.db2.gz KEPAYXITSDYSBT-CYBMUJFWSA-N 1 0 378.394 4.066 20 0 GIADRO Cn1cc([C@H]([NH2+]CCc2ccccc2OC(F)F)c2cccc(F)c2)cn1 ZINC000188724687 823293560 /nfs/dbraw/zinc/29/35/60/823293560.db2.gz ICNBMJQGXVUULC-LJQANCHMSA-N 1 0 375.394 4.082 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)C[C@@H](C)c3ccc(F)cc3)c(C)c2)CC1 ZINC000057421606 823293998 /nfs/dbraw/zinc/29/39/98/823293998.db2.gz HDBGQEDMWZLBSB-QGZVFWFLSA-N 1 0 383.511 4.408 20 0 GIADRO O=C(Cc1cncn1Cc1ccccc1)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000572169560 823294061 /nfs/dbraw/zinc/29/40/61/823294061.db2.gz YMOBNIGEOIRRQX-IBGZPJMESA-N 1 0 397.931 4.481 20 0 GIADRO Cc1ccc(CNCc2cc(O)cc(C(F)(F)F)c2)c(OC[C@H]2CCOC2)c1 ZINC000572170480 823294064 /nfs/dbraw/zinc/29/40/64/823294064.db2.gz SNCSDJWCOKZGOU-HNNXBMFYSA-N 1 0 395.421 4.425 20 0 GIADRO CCOc1ccc(NC(=S)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000007558280 817869085 /nfs/dbraw/zinc/86/90/85/817869085.db2.gz RMJFJPQSRJOOMR-KRWDZBQOSA-N 1 0 375.563 4.270 20 0 GIADRO CCc1ccc([C@@H](CNC(=S)Nc2ccc(OC(F)F)cc2)[NH+](C)C)cc1 ZINC000007557621 817869152 /nfs/dbraw/zinc/86/91/52/817869152.db2.gz XSPYZKOLEBGTSX-GOSISDBHSA-N 1 0 393.503 4.440 20 0 GIADRO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@@]12CCc1ccccc12 ZINC000572174320 823294611 /nfs/dbraw/zinc/29/46/11/823294611.db2.gz KDNGJSVEPXMTLA-PMWMKWCKSA-N 1 0 388.555 4.309 20 0 GIADRO CC[C@H](NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)c1ccccc1 ZINC000460140613 823294827 /nfs/dbraw/zinc/29/48/27/823294827.db2.gz BOWDDGKXJAMYSU-VJBWXMMDSA-N 1 0 377.532 4.301 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)N[C@@H](COC)c1cccc(Cl)c1)c1ccco1 ZINC000460141525 823295092 /nfs/dbraw/zinc/29/50/92/823295092.db2.gz GEAHLYOQJPJBNI-ZWKOTPCHSA-N 1 0 393.915 4.003 20 0 GIADRO O=C(COc1ccc2ccccc2c1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000007687106 817895525 /nfs/dbraw/zinc/89/55/25/817895525.db2.gz AUDICDVSOCAALA-FQEVSTJZSA-N 1 0 380.513 4.233 20 0 GIADRO C[C@@H]1CCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000122035267 823296673 /nfs/dbraw/zinc/29/66/73/823296673.db2.gz ZCHDMKMDBSIZJZ-VCBZYWHSSA-N 1 0 395.469 4.282 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+][C@H](CC)c2ccc(Br)cc2)[C@@H]1n1cccn1 ZINC000572189613 823296939 /nfs/dbraw/zinc/29/69/39/823296939.db2.gz ZRQNWYZEKLQSKU-XDNAFOTISA-N 1 0 378.314 4.105 20 0 GIADRO C[C@@H]1C[NH+](CCC2CCN(C(=O)Nc3cc(Cl)ccc3F)CC2)C[C@@H](C)O1 ZINC000176807733 823297999 /nfs/dbraw/zinc/29/79/99/823297999.db2.gz HJYQQYRQEGJRCQ-HUUCEWRRSA-N 1 0 397.922 4.222 20 0 GIADRO Brc1ccc2oc(C[N@@H+]3CCCN4c5ccccc5C[C@H]4C3)nc2c1 ZINC000572207802 823300327 /nfs/dbraw/zinc/30/03/27/823300327.db2.gz NAOPDPHWFKUYAA-INIZCTEOSA-N 1 0 398.304 4.227 20 0 GIADRO COc1ccc(OC(F)F)c(CNCc2cc(O)cc(C(F)(F)F)c2)c1 ZINC000572208647 823300469 /nfs/dbraw/zinc/30/04/69/823300469.db2.gz XUVKCEBHQUCDPX-UHFFFAOYSA-N 1 0 377.309 4.311 20 0 GIADRO CC[NH+](CC)[C@@H](C(=O)N(C)CCc1nccs1)c1cccc(C(F)(F)F)c1 ZINC000122063000 823300924 /nfs/dbraw/zinc/30/09/24/823300924.db2.gz DJBFZRXTUUAWBA-QGZVFWFLSA-N 1 0 399.482 4.246 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)CSc2nc3ccccc3o2)cc1 ZINC000007828867 817927922 /nfs/dbraw/zinc/92/79/22/817927922.db2.gz UFUGSKYDJMMIIA-UHFFFAOYSA-N 1 0 383.517 4.078 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)Nc1cccc(OCCC(C)C)c1 ZINC000122069006 823301579 /nfs/dbraw/zinc/30/15/79/823301579.db2.gz VFGXTLNTEZBGLR-UHFFFAOYSA-N 1 0 397.519 4.059 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000572216662 823302596 /nfs/dbraw/zinc/30/25/96/823302596.db2.gz RNOIJCACMOPGNI-YTFSRNRJSA-N 1 0 399.579 4.262 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(C)c(C)c2)cc1Br ZINC000007879165 817947747 /nfs/dbraw/zinc/94/77/47/817947747.db2.gz CINXLKVVZIYRND-AWEZNQCLSA-N 1 0 391.309 4.364 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(C)c(F)c2)cc1Br ZINC000007879362 817948162 /nfs/dbraw/zinc/94/81/62/817948162.db2.gz CHLPRFLNHBWQIM-LBPRGKRZSA-N 1 0 395.272 4.195 20 0 GIADRO CN(C(=O)NCCC[N@@H+]1CCc2ccccc2C1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000460164472 823302938 /nfs/dbraw/zinc/30/29/38/823302938.db2.gz BSBHCHSAOFEORN-KDURUIRLSA-N 1 0 397.485 4.197 20 0 GIADRO COc1ccc([C@@H](C)N[C@@H](C)c2ccncc2OC)cc1C[NH+]1CCCCC1 ZINC000188764508 823299899 /nfs/dbraw/zinc/29/98/99/823299899.db2.gz CHJOZSJZABRXGU-MSOLQXFVSA-N 1 0 383.536 4.497 20 0 GIADRO CC(C)[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(C(N)=O)cc1)c1ccc(C(C)(C)C)cc1 ZINC000008001306 817978617 /nfs/dbraw/zinc/97/86/17/817978617.db2.gz MRKSZQCVGAWBQU-IERDGZPVSA-N 1 0 395.547 4.397 20 0 GIADRO CCc1ccc2c(C[NH+]3CCC(C(=O)Nc4ccccc4)CC3)cc(=O)oc2c1 ZINC000008004273 817979459 /nfs/dbraw/zinc/97/94/59/817979459.db2.gz NAEXNUGVILXIGE-UHFFFAOYSA-N 1 0 390.483 4.206 20 0 GIADRO O=C(CCC(=O)N1CCN(c2cc[nH+]cc2)CC1)c1ccc(-c2ccccc2)cc1 ZINC000008122627 818004122 /nfs/dbraw/zinc/00/41/22/818004122.db2.gz DIMLKGCCOHDRIK-UHFFFAOYSA-N 1 0 399.494 4.060 20 0 GIADRO CCC[NH+]1CCC(NC(=O)CSc2cc(C)c(Br)cc2C)CC1 ZINC000008130531 818005205 /nfs/dbraw/zinc/00/52/05/818005205.db2.gz RFZCJJXNCVGFLY-UHFFFAOYSA-N 1 0 399.398 4.149 20 0 GIADRO Cc1ccc([C@H](CN2CCOCC2)[NH2+]Cc2cscc2C(F)(F)F)cc1 ZINC000572231225 823305130 /nfs/dbraw/zinc/30/51/30/823305130.db2.gz CSIFSUMHRCEFFK-SFHVURJKSA-N 1 0 384.467 4.238 20 0 GIADRO CCC(CC)c1cc(C(=O)N(Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)on1 ZINC000572235388 823305722 /nfs/dbraw/zinc/30/57/22/823305722.db2.gz TWKMGAPQKFVLPJ-IBGZPJMESA-N 1 0 387.549 4.424 20 0 GIADRO C[C@H](c1ccco1)N(C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)C1CC1 ZINC000122099782 823306127 /nfs/dbraw/zinc/30/61/27/823306127.db2.gz HLCBWKHORZHMGY-UYAOXDASSA-N 1 0 381.520 4.079 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N[C@@H]2CCSc3ccc(F)cc32)C1 ZINC000057514828 823306207 /nfs/dbraw/zinc/30/62/07/823306207.db2.gz FJGGBKOLXSKKDD-RVKKMQEKSA-N 1 0 379.545 4.030 20 0 GIADRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000572241133 823306400 /nfs/dbraw/zinc/30/64/00/823306400.db2.gz NDLSYRJLXPXIKY-SFHVURJKSA-N 1 0 387.505 4.260 20 0 GIADRO C[NH+]1CCC2(CCCN2C(=O)Nc2ccc(OC(F)(F)F)c(Cl)c2)CC1 ZINC000572240491 823306529 /nfs/dbraw/zinc/30/65/29/823306529.db2.gz LPZOAXFHSLWICV-UHFFFAOYSA-N 1 0 391.821 4.331 20 0 GIADRO CC[C@H](c1nnc(N2CCC[C@@H]([NH+]3CCCC3)CC2)n1CC)c1ccccc1 ZINC000460178420 823306965 /nfs/dbraw/zinc/30/69/65/823306965.db2.gz OSERBEJVVSUSHN-RTWAWAEBSA-N 1 0 381.568 4.295 20 0 GIADRO CC[C@H](C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000176849105 823309150 /nfs/dbraw/zinc/30/91/50/823309150.db2.gz SXTHHWDSWRLQKC-DEOSSOPVSA-N 1 0 394.559 4.368 20 0 GIADRO Cc1cc(NC(=O)[C@@H](C)[NH2+]C[C@H](c2c[nH]c3ccccc32)c2ccccc2)on1 ZINC000011037496 818046838 /nfs/dbraw/zinc/04/68/38/818046838.db2.gz XYOXUMPVJKPLNL-APWZRJJASA-N 1 0 388.471 4.213 20 0 GIADRO C[C@@H]([NH2+]CC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000011046108 818047199 /nfs/dbraw/zinc/04/71/99/818047199.db2.gz CWYKLHBMJJMKOA-QGZVFWFLSA-N 1 0 388.467 4.164 20 0 GIADRO COc1ccccc1CNC(=O)[C@H](C)[NH2+]CC(c1ccccc1)c1ccccc1 ZINC000011046802 818047877 /nfs/dbraw/zinc/04/78/77/818047877.db2.gz BHQYJERPRKKBAW-IBGZPJMESA-N 1 0 388.511 4.122 20 0 GIADRO O=C(NC1CC1)[C@H]([NH2+]CCc1ccc(Cl)cc1Cl)c1ccc(F)cc1 ZINC000011156792 818057804 /nfs/dbraw/zinc/05/78/04/818057804.db2.gz ZHAMASMYYBOSJU-GOSISDBHSA-N 1 0 381.278 4.285 20 0 GIADRO CC[C@@H](C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000176849124 823309012 /nfs/dbraw/zinc/30/90/12/823309012.db2.gz SXTHHWDSWRLQKC-XMMPIXPASA-N 1 0 394.559 4.368 20 0 GIADRO CSc1ccc([C@H](C[NH2+]Cc2cn(-c3ccccc3)nc2C)N(C)C)cc1 ZINC000572252837 823308290 /nfs/dbraw/zinc/30/82/90/823308290.db2.gz XYPWFNUYLUMLHG-QFIPXVFZSA-N 1 0 380.561 4.295 20 0 GIADRO CCn1c(CSc2ccc(C)cc2)nnc1N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000460185116 823309230 /nfs/dbraw/zinc/30/92/30/823309230.db2.gz RWPFARIWSRFAAO-ZWKOTPCHSA-N 1 0 387.597 4.208 20 0 GIADRO COc1ccc2c(c1)oc(C(=O)N[C@@H]1CC[N@@H+](C3CC3)C1)c2-c1ccccc1 ZINC000057555010 823309306 /nfs/dbraw/zinc/30/93/06/823309306.db2.gz OGWVGVCNCWJZFL-MRXNPFEDSA-N 1 0 376.456 4.075 20 0 GIADRO COCc1ccccc1C[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000122121281 823309511 /nfs/dbraw/zinc/30/95/11/823309511.db2.gz UUPCWPFWWAKDFN-KRWDZBQOSA-N 1 0 387.545 4.400 20 0 GIADRO COc1cc(CN(C)C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)ccc1SC ZINC000057613281 823314737 /nfs/dbraw/zinc/31/47/37/823314737.db2.gz MMBZTQUGROKDFK-QGZVFWFLSA-N 1 0 393.597 4.071 20 0 GIADRO C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]Cc1cccc(NS(C)(=O)=O)c1 ZINC000572265059 823309690 /nfs/dbraw/zinc/30/96/90/823309690.db2.gz BCKUYJHNDOZDJJ-INIZCTEOSA-N 1 0 399.560 4.385 20 0 GIADRO O=C(c1ccccc1)C1CC[NH+](C[C@H](O)COc2ccc3ccccc3c2)CC1 ZINC000011343239 818073878 /nfs/dbraw/zinc/07/38/78/818073878.db2.gz FTHHFQQUAJITDD-QHCPKHFHSA-N 1 0 389.495 4.174 20 0 GIADRO COc1ccc([C@@H](NC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C2CC2)cc1 ZINC000057566270 823310363 /nfs/dbraw/zinc/31/03/63/823310363.db2.gz APTPYTHXDVQVDJ-GGAORHGYSA-N 1 0 393.531 4.110 20 0 GIADRO COc1ccc(CCC2CC[NH+]([C@H](C)C(=O)NCc3cccs3)CC2)cc1 ZINC000011419984 818080131 /nfs/dbraw/zinc/08/01/31/818080131.db2.gz NXPLDWSNYHOQNT-QGZVFWFLSA-N 1 0 386.561 4.106 20 0 GIADRO C[NH+](C)CC1(C(=O)N(CCc2ccccc2)Cc2cccnc2)CCCCC1 ZINC000460192548 823311803 /nfs/dbraw/zinc/31/18/03/823311803.db2.gz XIJJIWJURZRBRA-UHFFFAOYSA-N 1 0 379.548 4.165 20 0 GIADRO C[NH+](C)CC1CCN(c2ccc(NC(=O)c3ccc(F)c(F)c3F)cc2)CC1 ZINC000176874749 823314993 /nfs/dbraw/zinc/31/49/93/823314993.db2.gz CSRAIUYSVQWSSJ-UHFFFAOYSA-N 1 0 391.437 4.134 20 0 GIADRO CC[C@H](NCc1ccncc1OCCC[NH+](C)C)c1cccc(Cl)c1F ZINC000572278983 823312039 /nfs/dbraw/zinc/31/20/39/823312039.db2.gz MKRDFQRTINZIOX-SFHVURJKSA-N 1 0 379.907 4.446 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)N[C@@H]1CCSc2ccc(F)cc21 ZINC000011641788 818102686 /nfs/dbraw/zinc/10/26/86/818102686.db2.gz DBBRISJJXCPYGW-HXUWFJFHSA-N 1 0 399.535 4.326 20 0 GIADRO Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)C3(C[NH+](C)C)CCCCC3)cc2)n1 ZINC000460194905 823312466 /nfs/dbraw/zinc/31/24/66/823312466.db2.gz GSEVBKOBOLVNLT-LJQANCHMSA-N 1 0 382.552 4.178 20 0 GIADRO COc1ccc(C[N@H+](CC(=O)Nc2ccnn2C2CCCC2)[C@H](C)C2CC2)cc1 ZINC000057601773 823313421 /nfs/dbraw/zinc/31/34/21/823313421.db2.gz PJQBXESGMCJYJW-QGZVFWFLSA-N 1 0 396.535 4.246 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)[C@H](C)C1 ZINC000122150610 823313539 /nfs/dbraw/zinc/31/35/39/823313539.db2.gz WYTWUUIFGLVPRZ-QAPCUYQASA-N 1 0 389.927 4.116 20 0 GIADRO COc1ccc(C[N@H+](CC(=O)N[C@@H](C)c2ccccc2OC)[C@@H](C)C2CC2)cc1 ZINC000057602217 823313667 /nfs/dbraw/zinc/31/36/67/823313667.db2.gz ZFYORGAPFSWBGB-ROUUACIJSA-N 1 0 396.531 4.182 20 0 GIADRO CC[N@H+](C[C@H](O)COc1cc(Cl)ccc1Cl)[C@H]1CCOC(C)(C)C1 ZINC000572289957 823314131 /nfs/dbraw/zinc/31/41/31/823314131.db2.gz ZJMSOQIJOQLPHU-GJZGRUSLSA-N 1 0 376.324 4.013 20 0 GIADRO CCOc1ccc(C(F)(F)F)cc1NC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000409815323 823315198 /nfs/dbraw/zinc/31/51/98/823315198.db2.gz AYGBPDYXSKHJGF-HNNXBMFYSA-N 1 0 385.430 4.196 20 0 GIADRO CCN(CC)C(=O)c1ccc(NC(=O)C2(C[NH+](C)C)CCCCC2)cc1Cl ZINC000460201131 823315207 /nfs/dbraw/zinc/31/52/07/823315207.db2.gz IELJQFIIOYPLJO-UHFFFAOYSA-N 1 0 393.959 4.273 20 0 GIADRO CCOc1cc2c(cc1OCC)C[N@H+](Cc1ccc(-n3ccnc3)cc1)CC2 ZINC000057622798 823316000 /nfs/dbraw/zinc/31/60/00/823316000.db2.gz GPJQIXMOHWHRMT-UHFFFAOYSA-N 1 0 377.488 4.228 20 0 GIADRO O=C(Nc1ccccc1)[C@H]1CCC[N@@H+](Cc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000012328182 818155190 /nfs/dbraw/zinc/15/51/90/818155190.db2.gz XFVBLLHOFWJCRY-KRWDZBQOSA-N 1 0 379.435 4.331 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1cc(Br)ccc1Cl)c1ccsc1 ZINC000012348551 818156022 /nfs/dbraw/zinc/15/60/22/818156022.db2.gz QJIGWMBHQGNEFH-CQSZACIVSA-N 1 0 387.730 4.197 20 0 GIADRO CCc1ccc(NC(=O)C(=O)Nc2cccc3c2C[N@@H+]([C@@H](C)C(C)C)C3)cc1 ZINC000188847957 823316720 /nfs/dbraw/zinc/31/67/20/823316720.db2.gz ZPIWPJLMMRHYFB-INIZCTEOSA-N 1 0 379.504 4.186 20 0 GIADRO COc1cc(C[NH2+]C[C@H]2CC[C@H](O)C2)ccc1OCc1ccc(Cl)cc1 ZINC000188848660 823316749 /nfs/dbraw/zinc/31/67/49/823316749.db2.gz ZMTBOQXTWKOHJV-LPHOPBHVSA-N 1 0 375.896 4.178 20 0 GIADRO COc1ccc(NC(=O)C2(C[NH+](C)C)CCCCC2)cc1OCc1ccncc1 ZINC000460212182 823318812 /nfs/dbraw/zinc/31/88/12/823318812.db2.gz NAHJFXLETQEVCU-UHFFFAOYSA-N 1 0 397.519 4.120 20 0 GIADRO Cc1cc(C)n(-c2ccc(C[N@@H+]3CCC[C@H](C(=O)Nc4ccccc4)C3)cc2)n1 ZINC000012974866 818198454 /nfs/dbraw/zinc/19/84/54/818198454.db2.gz COWHRRUQWPMGSW-NRFANRHFSA-N 1 0 388.515 4.340 20 0 GIADRO CCCC(=O)Nc1cccc(NC(=O)N2CCC(C[NH+](CC)CC)CC2)c1C ZINC000409829769 823319251 /nfs/dbraw/zinc/31/92/51/823319251.db2.gz FTVMBSWUSGATBA-UHFFFAOYSA-N 1 0 388.556 4.319 20 0 GIADRO C[C@H](C(=O)N1CCC[C@H](Cc2nccn2C)C1)c1ccc(C(F)(F)F)cc1 ZINC000409830482 823319328 /nfs/dbraw/zinc/31/93/28/823319328.db2.gz SHORSXDUKAFAGK-LSDHHAIUSA-N 1 0 379.426 4.024 20 0 GIADRO CCn1c(Cc2cccc3ccccc32)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000460213951 823319341 /nfs/dbraw/zinc/31/93/41/823319341.db2.gz UGRMYVQIAWARDL-NQIIRXRSSA-N 1 0 389.547 4.105 20 0 GIADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)/C=C/c2ccccc2Cl)cc1 ZINC000013621770 818214398 /nfs/dbraw/zinc/21/43/98/818214398.db2.gz FIDAKQJYELGIBN-SDNWHVSQSA-N 1 0 399.922 4.064 20 0 GIADRO O=C(CCc1ccc(OC(F)F)cc1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000122195321 823320066 /nfs/dbraw/zinc/32/00/66/823320066.db2.gz QXGODCABJFOAPJ-SFHVURJKSA-N 1 0 392.446 4.157 20 0 GIADRO c1coc(-c2nc(CN3C[C@@H]4C[N@@H+](Cc5ccccc5)CC[C@@H]4C3)cs2)c1 ZINC000572326505 823321057 /nfs/dbraw/zinc/32/10/57/823321057.db2.gz WUOANNGAQALCRV-MOPGFXCFSA-N 1 0 379.529 4.357 20 0 GIADRO CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H](c2nc(C3CC3)no2)C(C)C)cc1 ZINC000057689358 823321522 /nfs/dbraw/zinc/32/15/22/823321522.db2.gz VJHZGXUEIHLPDJ-LJQANCHMSA-N 1 0 384.524 4.306 20 0 GIADRO COc1ccc(C[NH2+]Cc2c(-c3ccccc3)nc3sccn23)cc1OC ZINC000014206748 818227611 /nfs/dbraw/zinc/22/76/11/818227611.db2.gz AJOKBCVQQKCKBE-UHFFFAOYSA-N 1 0 379.485 4.370 20 0 GIADRO Brc1cccc2[nH]cc(CC[NH2+][C@H]3[C@H]4CCO[C@H]4C34CCC4)c21 ZINC000572327293 823321666 /nfs/dbraw/zinc/32/16/66/823321666.db2.gz ASLBLDHMTPLZMG-JEBQAFNWSA-N 1 0 375.310 4.020 20 0 GIADRO CC1(C)CC(NC(=O)Nc2ccc(Cl)cc2OC(F)F)CC(C)(C)[NH2+]1 ZINC000460235006 823326119 /nfs/dbraw/zinc/32/61/19/823326119.db2.gz IPGSWSRNJXAJOS-UHFFFAOYSA-N 1 0 375.847 4.372 20 0 GIADRO C[N@H+](CCCNC(=O)c1ccccc1C(=O)c1ccccc1)Cc1ccccc1 ZINC000014314821 818233876 /nfs/dbraw/zinc/23/38/76/818233876.db2.gz HTEAODYDVXADOU-UHFFFAOYSA-N 1 0 386.495 4.170 20 0 GIADRO COc1ccc(-c2csc3ncnc(NC4CC[NH+](C5CC5)CC4)c23)cc1 ZINC000014327235 818235093 /nfs/dbraw/zinc/23/50/93/818235093.db2.gz HDCHDHHLJCAYIH-UHFFFAOYSA-N 1 0 380.517 4.406 20 0 GIADRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1cccc(Br)c1 ZINC000014334699 818235863 /nfs/dbraw/zinc/23/58/63/818235863.db2.gz KUAGMRDNGYQIDP-PKOBYXMFSA-N 1 0 385.305 4.206 20 0 GIADRO COc1cc(-c2noc(C[N@@H+]3CCC[C@@H]3c3cccc4ccccc43)n2)ncn1 ZINC000572352613 823326235 /nfs/dbraw/zinc/32/62/35/823326235.db2.gz KLKHRXSKIGNJOF-LJQANCHMSA-N 1 0 387.443 4.026 20 0 GIADRO Cc1ccc(-c2cccnc2)cc1NC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000572335122 823323075 /nfs/dbraw/zinc/32/30/75/823323075.db2.gz MHPJDQLZYARAIX-JOCHJYFZSA-N 1 0 386.499 4.303 20 0 GIADRO COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2SC)c1 ZINC000409844220 823323166 /nfs/dbraw/zinc/32/31/66/823323166.db2.gz RDKFEZHWPPKAQF-HUUCEWRRSA-N 1 0 386.517 4.181 20 0 GIADRO C[N@H+](CCC(=O)c1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000122221277 823323681 /nfs/dbraw/zinc/32/36/81/823323681.db2.gz JNVVTGWBGBTKFS-DFNIBXOVSA-N 1 0 390.499 4.261 20 0 GIADRO COc1ccc2cc([C@H](C)[NH2+]CC(=O)N[C@@H]3CCOc4ccccc43)ccc2c1 ZINC000409845355 823323869 /nfs/dbraw/zinc/32/38/69/823323869.db2.gz YXDQUJVJTQIVDY-KSFYIVLOSA-N 1 0 390.483 4.139 20 0 GIADRO O=C(C[NH2+][C@H](Cc1ccccc1)c1ccccc1)N[C@H]1CCOc2ccccc21 ZINC000409847776 823324457 /nfs/dbraw/zinc/32/44/57/823324457.db2.gz YHEKPEPLYXBHQZ-XZOQPEGZSA-N 1 0 386.495 4.200 20 0 GIADRO Cc1cnc(CC[NH2+][C@@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)cn1 ZINC000572355062 823326480 /nfs/dbraw/zinc/32/64/80/823326480.db2.gz OEVJJFKTEXILRW-QFIPXVFZSA-N 1 0 395.890 4.131 20 0 GIADRO COc1ccc2cc(/C=C/C(=O)NC[C@@H](c3cccs3)[NH+](C)C)ccc2c1 ZINC000014936597 818278208 /nfs/dbraw/zinc/27/82/08/818278208.db2.gz UQAUWUNSYWAPMG-OEMHODTASA-N 1 0 380.513 4.342 20 0 GIADRO COc1ccc(-c2ccc(C(=O)Nc3cc(C[NH+](C)C)ccn3)c(F)c2)c(F)c1 ZINC000176921699 823324985 /nfs/dbraw/zinc/32/49/85/823324985.db2.gz WYZGXFAKWIEKFE-UHFFFAOYSA-N 1 0 397.425 4.349 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(NC(=O)OCC(C)C)c2)C1 ZINC000176924230 823325467 /nfs/dbraw/zinc/32/54/67/823325467.db2.gz TYXAEXDEGAOYSR-QGZVFWFLSA-N 1 0 390.528 4.087 20 0 GIADRO Cc1cccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCOc3c(Br)cccc32)c1 ZINC000409849436 823325550 /nfs/dbraw/zinc/32/55/50/823325550.db2.gz IFMJXDSIUGBILL-SUMWQHHRSA-N 1 0 389.293 4.198 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cnc(-c3ccccc3)s2)C1 ZINC000409850033 823325571 /nfs/dbraw/zinc/32/55/71/823325571.db2.gz RPXDCHHJRMQPPX-VQIMIIECSA-N 1 0 377.513 4.375 20 0 GIADRO C[C@@H](O)[C@](C)(C[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)Cc1ccccc1 ZINC000188903795 823325702 /nfs/dbraw/zinc/32/57/02/823325702.db2.gz YCGXLEDCBKEDIQ-PLMZWKLBSA-N 1 0 390.568 4.042 20 0 GIADRO CN(C)C(=O)Sc1ccc(C[N@H+](CCO)[C@@H]2CCCc3ccccc32)cc1 ZINC000176926219 823325723 /nfs/dbraw/zinc/32/57/23/823325723.db2.gz UIYXWNIUTTXZCD-OAQYLSRUSA-N 1 0 384.545 4.332 20 0 GIADRO Cc1noc(C2CC2)c1NC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000122235814 823325823 /nfs/dbraw/zinc/32/58/23/823325823.db2.gz PFUDMQUWDZVFKN-UHFFFAOYSA-N 1 0 384.480 4.369 20 0 GIADRO C[NH+](C)[C@@H](CNc1nc(-c2cccnc2)nc2ccccc21)Cc1ccccc1 ZINC000015128924 818293402 /nfs/dbraw/zinc/29/34/02/818293402.db2.gz BIEPRMCVUUTNDR-HXUWFJFHSA-N 1 0 383.499 4.277 20 0 GIADRO Cc1cc([C@@H](C)NC(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)ccc1F ZINC000572358042 823326964 /nfs/dbraw/zinc/32/69/64/823326964.db2.gz FZDBLOPNMPHXOB-QGZVFWFLSA-N 1 0 399.510 4.168 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(-c3ccc4ccccc4c3)n[nH]2)[C@H](C)C1 ZINC000572357481 823326977 /nfs/dbraw/zinc/32/69/77/823326977.db2.gz XTXLQENVINNBMR-OPAMFIHVSA-N 1 0 376.504 4.032 20 0 GIADRO CCC(CC)(CNC(=O)N1CC[C@@H](n2cc(C)cn2)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000460237835 823327019 /nfs/dbraw/zinc/32/70/19/823327019.db2.gz BMCLMEVYSLCXEF-PZJWPPBQSA-N 1 0 397.567 4.058 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)COc1ccccc1C(C)(C)C ZINC000057741373 823327068 /nfs/dbraw/zinc/32/70/68/823327068.db2.gz JVLFEIBEYPLSBY-UHFFFAOYSA-N 1 0 395.547 4.062 20 0 GIADRO O=C(c1ccccc1)C(C(=S)Nc1ccc(Cl)cc1)[n+]1cccc(CO)c1 ZINC000015244357 818302319 /nfs/dbraw/zinc/30/23/19/818302319.db2.gz JZPNPKQJOGFGEI-UHFFFAOYSA-O 1 0 397.907 4.171 20 0 GIADRO CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC000015291835 818307284 /nfs/dbraw/zinc/30/72/84/818307284.db2.gz HXJPBKAHQHYKTI-OAQYLSRUSA-N 1 0 396.531 4.062 20 0 GIADRO CCCCCn1c(=O)c2cc(Br)ccc2nc1SCC[NH+](C)C ZINC000057747767 823327791 /nfs/dbraw/zinc/32/77/91/823327791.db2.gz JUOPGVJZSBCNDT-UHFFFAOYSA-N 1 0 398.370 4.003 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCOc2c(Br)cccc21)C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000409858088 823328178 /nfs/dbraw/zinc/32/81/78/823328178.db2.gz MWDIEIWQEYYHEI-AYMQEEERSA-N 1 0 395.341 4.040 20 0 GIADRO C[C@@H]1[C@H](NC(=O)Nc2ccc(OCC(F)F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000572394373 823332379 /nfs/dbraw/zinc/33/23/79/823332379.db2.gz XNTMTXZNZHUCLL-DNVCBOLYSA-N 1 0 389.446 4.115 20 0 GIADRO O=C(Nc1ccc(-c2ccc(Cl)cc2Cl)nc1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000572376086 823329112 /nfs/dbraw/zinc/32/91/12/823329112.db2.gz SDHCLUIMCPYZTJ-PXAZEXFGSA-N 1 0 391.302 4.271 20 0 GIADRO COc1ccccc1CC[NH2+][C@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000122261952 823329202 /nfs/dbraw/zinc/32/92/02/823329202.db2.gz KODIPFVRKUJOCZ-CQSZACIVSA-N 1 0 380.410 4.263 20 0 GIADRO COc1ccc([C@H](CNC(=O)CCc2ccc([C@@H]3C[C@H]3C)o2)[NH+]2CCCC2)cc1 ZINC000057781391 823332083 /nfs/dbraw/zinc/33/20/83/823332083.db2.gz PXFMZPGJYITJQP-YHYVQYDKSA-N 1 0 396.531 4.298 20 0 GIADRO COc1ccccc1CC[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000122261721 823329348 /nfs/dbraw/zinc/32/93/48/823329348.db2.gz KODIPFVRKUJOCZ-AWEZNQCLSA-N 1 0 380.410 4.263 20 0 GIADRO O=C(NCc1ccccc1)C1CC[NH+](Cc2cc3ccccc3nc2Cl)CC1 ZINC000015543653 818336345 /nfs/dbraw/zinc/33/63/45/818336345.db2.gz XNJIWJNHCGJYJJ-UHFFFAOYSA-N 1 0 393.918 4.417 20 0 GIADRO CC(C)Oc1ccc(-c2nc(C(=O)Nc3cc(C[NH+](C)C)ccn3)cs2)cc1 ZINC000176939947 823329680 /nfs/dbraw/zinc/32/96/80/823329680.db2.gz HPEWMFRUKQRZQK-UHFFFAOYSA-N 1 0 396.516 4.306 20 0 GIADRO O=C(Nc1ccc(-c2ccc(Cl)cc2Cl)nc1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000572376089 823329704 /nfs/dbraw/zinc/32/97/04/823329704.db2.gz SDHCLUIMCPYZTJ-SJKOYZFVSA-N 1 0 391.302 4.271 20 0 GIADRO Cc1c(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)ccn1C(C)C ZINC000572382053 823329823 /nfs/dbraw/zinc/32/98/23/823329823.db2.gz GGSLHNSEQOJTDK-UHFFFAOYSA-N 1 0 396.535 4.444 20 0 GIADRO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C2SCCS2)cc1 ZINC000015603383 818346047 /nfs/dbraw/zinc/34/60/47/818346047.db2.gz XUOYWYZLZCSLDW-IBGZPJMESA-N 1 0 384.570 4.170 20 0 GIADRO CC(=O)Nc1ccccc1C[NH2+][C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000188934276 823330244 /nfs/dbraw/zinc/33/02/44/823330244.db2.gz BXULCQJOKIWYAZ-INIZCTEOSA-N 1 0 378.303 4.320 20 0 GIADRO C[C@H](c1ccccc1F)N1CCC[C@H]([NH2+]Cc2cccc(OC(F)F)c2)C1=O ZINC000572382799 823330307 /nfs/dbraw/zinc/33/03/07/823330307.db2.gz GPFKKDTWZCYYFH-KUHUBIRLSA-N 1 0 392.421 4.269 20 0 GIADRO Cc1cc(Br)cc(C)c1NC(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000057772969 823330852 /nfs/dbraw/zinc/33/08/52/823330852.db2.gz RVDVPNIDJYJRGN-GJZGRUSLSA-N 1 0 382.346 4.450 20 0 GIADRO Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)NC[C@H](c3cccs3)[NH+](C)C)nc2c1 ZINC000057774268 823330988 /nfs/dbraw/zinc/33/09/88/823330988.db2.gz JOGMHYDAADKOMU-ZWKOTPCHSA-N 1 0 397.548 4.082 20 0 GIADRO CC(C)Oc1ccc([C@H](C[NH2+]Cc2cncc(Br)c2)N(C)C)cc1 ZINC000572399337 823332465 /nfs/dbraw/zinc/33/24/65/823332465.db2.gz FDOSHAUAZNORKJ-IBGZPJMESA-N 1 0 392.341 4.024 20 0 GIADRO C[N@H+](CCCNC(=O)Nc1nnc(-c2ccsc2)s1)C1CCCCC1 ZINC000057787413 823332863 /nfs/dbraw/zinc/33/28/63/823332863.db2.gz RIZBZISKKKFCHQ-UHFFFAOYSA-N 1 0 379.555 4.043 20 0 GIADRO O=C(CCCCCc1ccc(F)cc1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000188955601 823333673 /nfs/dbraw/zinc/33/36/73/823333673.db2.gz LQMJBWFMQLKMKS-UHFFFAOYSA-N 1 0 383.511 4.356 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1nc(Cl)ccc1Cl ZINC000016102955 818393103 /nfs/dbraw/zinc/39/31/03/818393103.db2.gz YALMBSNTQPDWLC-UHFFFAOYSA-N 1 0 378.303 4.304 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)c2sc(-c3ccccn3)nc2C)cc1 ZINC000016110088 818394220 /nfs/dbraw/zinc/39/42/20/818394220.db2.gz WTELBSZGOSONPS-UHFFFAOYSA-N 1 0 394.544 4.285 20 0 GIADRO C[C@H](C[NH2+]CCCN1C(=O)COc2ccccc21)c1ccc(C(F)(F)F)cc1 ZINC000572407717 823333920 /nfs/dbraw/zinc/33/39/20/823333920.db2.gz FHDUZXDYMKTFJE-OAHLLOKOSA-N 1 0 392.421 4.214 20 0 GIADRO CCOC1CC([NH2+][C@H](Cc2ccccn2)c2ccc(Br)cc2)C1 ZINC000572408461 823333924 /nfs/dbraw/zinc/33/39/24/823333924.db2.gz YLNFDZHIMNZQJG-CTWPCTMYSA-N 1 0 375.310 4.285 20 0 GIADRO CC[C@H](NC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)c1nc(C)cs1 ZINC000460264202 823334467 /nfs/dbraw/zinc/33/44/67/823334467.db2.gz GZTDSUIEHMXDOD-AQNXPRMDSA-N 1 0 398.576 4.066 20 0 GIADRO CC[NH+](CC)[C@H](C(=O)N[C@H](C)CC(C)(C)OC)c1cccc(C(F)(F)F)c1 ZINC000460264366 823334488 /nfs/dbraw/zinc/33/44/88/823334488.db2.gz JBANZECYUZOJHS-PBHICJAKSA-N 1 0 388.474 4.408 20 0 GIADRO C[C@@H](CNC(=O)[C@H]1C[C@H]1c1ccc([C@H]2C[C@H]2C)o1)N1CCc2sccc2C1 ZINC000409892170 823337516 /nfs/dbraw/zinc/33/75/16/823337516.db2.gz QOJXNWVMOPUCLW-KSIDHJATSA-N 1 0 384.545 4.131 20 0 GIADRO COc1cccc([C@H](CNC(=S)Nc2cccc(C(F)(F)F)c2)[NH+](C)C)c1 ZINC000016242633 818409731 /nfs/dbraw/zinc/40/97/31/818409731.db2.gz HZSISGDFARWRBM-KRWDZBQOSA-N 1 0 397.466 4.303 20 0 GIADRO C[NH+](C)[C@@H](CNC(=S)Nc1cccc(C(F)(F)F)c1)Cc1ccccc1 ZINC000016242237 818409742 /nfs/dbraw/zinc/40/97/42/818409742.db2.gz ILIALVDTQGHCGT-QGZVFWFLSA-N 1 0 381.467 4.165 20 0 GIADRO CN(C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1)[C@H]1CCSC1 ZINC000122304865 823335269 /nfs/dbraw/zinc/33/52/69/823335269.db2.gz AJKXLQXLMHXJNV-FQEVSTJZSA-N 1 0 383.561 4.062 20 0 GIADRO COc1cc(C[N@H+](C)C[C@H](O)c2ccccc2)ccc1OCc1ccccc1 ZINC000016347732 818427642 /nfs/dbraw/zinc/42/76/42/818427642.db2.gz CJRXJFRHEQRXOA-QFIPXVFZSA-N 1 0 377.484 4.440 20 0 GIADRO C[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000409884390 823335912 /nfs/dbraw/zinc/33/59/12/823335912.db2.gz SMKMWFILIFEIGX-KYNGSXCRSA-N 1 0 376.422 4.371 20 0 GIADRO C[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000409884388 823335982 /nfs/dbraw/zinc/33/59/82/823335982.db2.gz SMKMWFILIFEIGX-JVPBZIDWSA-N 1 0 376.422 4.371 20 0 GIADRO CCC[N@H+](CCOc1ccc(C)cc1)CC(=O)Nc1ccc(F)c(F)c1F ZINC000016390046 818433997 /nfs/dbraw/zinc/43/39/97/818433997.db2.gz DEWZMAWCJCGSMK-UHFFFAOYSA-N 1 0 380.410 4.142 20 0 GIADRO CSc1cccc(NC(=O)COC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000016402072 818436164 /nfs/dbraw/zinc/43/61/64/818436164.db2.gz IHIWQUGSFCWTNG-UHFFFAOYSA-N 1 0 398.528 4.190 20 0 GIADRO CSC1(CNC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)CC[NH+](C)CC1 ZINC000572419448 823336520 /nfs/dbraw/zinc/33/65/20/823336520.db2.gz RDGIJOOHSYUIBR-LBPRGKRZSA-N 1 0 390.380 4.181 20 0 GIADRO COc1ccccc1NC(=S)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000057817435 823337090 /nfs/dbraw/zinc/33/70/90/823337090.db2.gz YKRJFTDQWHVUEP-UHFFFAOYSA-N 1 0 387.574 4.095 20 0 GIADRO Cc1cc(NC(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)ccc1NC(=O)c1ccco1 ZINC000057821802 823337866 /nfs/dbraw/zinc/33/78/66/823337866.db2.gz QSGKLOSVZLFCIV-DOTOQJQBSA-N 1 0 398.507 4.082 20 0 GIADRO CCOC(=O)Nc1ccc2c(C[N@H+](C)Cc3cccc(F)c3)cc(=O)oc2c1 ZINC000016585279 818455934 /nfs/dbraw/zinc/45/59/34/818455934.db2.gz GIYGYBQPFHENAV-UHFFFAOYSA-N 1 0 384.407 4.133 20 0 GIADRO Cc1nn(-c2ccccc2)c2sc(C(=O)NCC[NH+](C(C)C)C(C)C)cc12 ZINC000016600097 818458881 /nfs/dbraw/zinc/45/88/81/818458881.db2.gz QQKVVRKTNWKGOF-UHFFFAOYSA-N 1 0 384.549 4.244 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1cc(-c2ccccn2)nc2ccccc21)c1ccccc1 ZINC000016599419 818459112 /nfs/dbraw/zinc/45/91/12/818459112.db2.gz QUXXQYKYAHHGBT-XMMPIXPASA-N 1 0 396.494 4.330 20 0 GIADRO COCCOc1ccc([C@H](C)[NH2+]C2CCN(c3ccc(N(C)C)cc3)CC2)cc1 ZINC000122331908 823339537 /nfs/dbraw/zinc/33/95/37/823339537.db2.gz XLIUKXFHNHWMCI-IBGZPJMESA-N 1 0 397.563 4.097 20 0 GIADRO COc1cccc(OC)c1OCCCC[N@@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000572446339 823340668 /nfs/dbraw/zinc/34/06/68/823340668.db2.gz QCVNOWBNDFIDPO-XMMPIXPASA-N 1 0 397.515 4.333 20 0 GIADRO Cc1ccc2nc(C[NH2+]C(C)(C)c3cccc(C(F)(F)F)c3)cc(=O)n2c1 ZINC000057846859 823341035 /nfs/dbraw/zinc/34/10/35/823341035.db2.gz HHUQTFSYRUUYFN-UHFFFAOYSA-N 1 0 375.394 4.047 20 0 GIADRO Cc1ccc(OCC[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)cc1 ZINC000017311997 818507808 /nfs/dbraw/zinc/50/78/08/818507808.db2.gz VXCHYASKBWUFCQ-UHFFFAOYSA-N 1 0 384.483 4.411 20 0 GIADRO O=C(CCC(=O)c1ccc(Cl)cc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000017362927 818512594 /nfs/dbraw/zinc/51/25/94/818512594.db2.gz FDISSNDYRBCWTN-UHFFFAOYSA-N 1 0 384.907 4.084 20 0 GIADRO Cc1ccc(-c2nc(C(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3)cs2)cc1 ZINC000017371328 818514018 /nfs/dbraw/zinc/51/40/18/818514018.db2.gz OMJHOJSGHBQSLP-UHFFFAOYSA-N 1 0 392.528 4.123 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(NC(=O)OC(C)(C)C)cc2)C1 ZINC000176980999 823341608 /nfs/dbraw/zinc/34/16/08/823341608.db2.gz DNMCSZBFRVRAFJ-INIZCTEOSA-N 1 0 390.528 4.229 20 0 GIADRO COCc1cc([C@@H](C)[NH2+]C2CCN(c3ccc(N(C)C)cc3)CC2)ccc1OC ZINC000122348009 823341809 /nfs/dbraw/zinc/34/18/09/823341809.db2.gz MKBHYFBIVHQVNH-GOSISDBHSA-N 1 0 397.563 4.227 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=S)Nc1cccc(OC)c1)c1cccc(OC)c1 ZINC000017516650 818517680 /nfs/dbraw/zinc/51/76/80/818517680.db2.gz CFIIHXQHGNSZGB-FQEVSTJZSA-N 1 0 387.549 4.073 20 0 GIADRO Fc1ccc(NC(=S)N2CCC[N@H+](Cc3ccccc3)CC2)cc1Cl ZINC000017517719 818517905 /nfs/dbraw/zinc/51/79/05/818517905.db2.gz GVLZDHIBRNDULS-UHFFFAOYSA-N 1 0 377.916 4.384 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=S)Nc1ccc(F)cc1F)c1cccc(OC)c1 ZINC000017516642 818517939 /nfs/dbraw/zinc/51/79/39/818517939.db2.gz FZQOQCRBHZFYMS-LJQANCHMSA-N 1 0 393.503 4.343 20 0 GIADRO CC1CC[NH+]([C@@H](CNC(=O)N(C)Cc2ccc(O)cc2)c2ccccc2)CC1 ZINC000057854865 823341818 /nfs/dbraw/zinc/34/18/18/823341818.db2.gz OBIBCOFWECPAPA-QFIPXVFZSA-N 1 0 381.520 4.007 20 0 GIADRO COc1cc(CNC2CC[NH+](C3CCCC3)CC2)ccc1OCc1ccncc1 ZINC000176993055 823345122 /nfs/dbraw/zinc/34/51/22/823345122.db2.gz QHCFMPDVEDOCFR-UHFFFAOYSA-N 1 0 395.547 4.166 20 0 GIADRO Cc1nc(-c2ccccc2)sc1C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000018232724 818558899 /nfs/dbraw/zinc/55/88/99/818558899.db2.gz DQVKCPNHOFMMSM-UHFFFAOYSA-N 1 0 379.529 4.370 20 0 GIADRO CC(=O)c1ccc(NC(=S)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000018943683 818581587 /nfs/dbraw/zinc/58/15/87/818581587.db2.gz MFXUTMTXZWMBMI-UHFFFAOYSA-N 1 0 381.545 4.362 20 0 GIADRO CC(=O)c1ccc(NC(=S)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000018945273 818582056 /nfs/dbraw/zinc/58/20/56/818582056.db2.gz ZESDFIBWRQJUPA-UHFFFAOYSA-N 1 0 381.545 4.362 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)NCC[C@@H](c2ccccc2)C(F)(F)F)CC1 ZINC000572484517 823348100 /nfs/dbraw/zinc/34/81/00/823348100.db2.gz JBTCRRBLUOQEQT-IBGZPJMESA-N 1 0 399.501 4.484 20 0 GIADRO Cc1cccc(C)c1NC(=O)CN1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000019541172 818594611 /nfs/dbraw/zinc/59/46/11/818594611.db2.gz FGDUODBXUMCKON-UHFFFAOYSA-N 1 0 387.527 4.213 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)[NH+]1CCC(C)(C2CC2)CC1 ZINC000572489844 823348490 /nfs/dbraw/zinc/34/84/90/823348490.db2.gz GOBWHOGTAJFDMZ-GOSISDBHSA-N 1 0 380.536 4.328 20 0 GIADRO COc1cc(C[NH2+][C@H]2CCN(CC(F)(F)F)C2)ccc1OCc1ccccc1 ZINC000057976769 823352257 /nfs/dbraw/zinc/35/22/57/823352257.db2.gz UNMLFSLOKVKMGF-SFHVURJKSA-N 1 0 394.437 4.000 20 0 GIADRO Cc1ccc(CN2CC[C@@H]([NH2+][C@@H]3CC4(CCC4)Oc4ccccc43)C2=O)cc1 ZINC000189075401 823352548 /nfs/dbraw/zinc/35/25/48/823352548.db2.gz MMSLIUIHJOMWGG-NHCUHLMSSA-N 1 0 376.500 4.132 20 0 GIADRO CN(C)C(=O)Sc1ccc(C[N@@H+]2CC[C@H](COCc3ccccc3)C2)cc1 ZINC000177026289 823352789 /nfs/dbraw/zinc/35/27/89/823352789.db2.gz CUKDXWMYKGWCKS-FQEVSTJZSA-N 1 0 384.545 4.499 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)CSc1ccc(F)cc1)c1cccc(OC)c1 ZINC000021070680 818651464 /nfs/dbraw/zinc/65/14/64/818651464.db2.gz VDSUBZDXGUDBIC-FQEVSTJZSA-N 1 0 390.524 4.126 20 0 GIADRO C[C@@H](CC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccc(Br)cc1 ZINC000122440627 823354608 /nfs/dbraw/zinc/35/46/08/823354608.db2.gz LCBILEGBBVEJHC-IRXDYDNUSA-N 1 0 393.369 4.277 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(-c3ccccc3)nc3onc(C)c32)[C@H](C)C1 ZINC000122407946 823350259 /nfs/dbraw/zinc/35/02/59/823350259.db2.gz HCDHLSPEEDCLCA-FOIQADDNSA-N 1 0 392.503 4.001 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)CCn3ccc4ccccc43)C2)s1 ZINC000572502821 823350610 /nfs/dbraw/zinc/35/06/10/823350610.db2.gz HAKZFSFHDLMLLS-IBGZPJMESA-N 1 0 395.572 4.382 20 0 GIADRO COc1ccc(C[N@H+](CCC(=O)Nc2cc(N)ccc2F)[C@@H](C)C2CC2)cc1 ZINC000177020904 823350871 /nfs/dbraw/zinc/35/08/71/823350871.db2.gz CYQWTFMMCDRQEM-HNNXBMFYSA-N 1 0 385.483 4.046 20 0 GIADRO O=C(C[NH2+][C@H]1c2ccccc2CC12CCOCC2)Nc1ccc(F)c(Cl)c1 ZINC000572505734 823350999 /nfs/dbraw/zinc/35/09/99/823350999.db2.gz BITUIKZJCIJMGO-FQEVSTJZSA-N 1 0 388.870 4.101 20 0 GIADRO CCCCCOc1cc(C[NH2+]C2CCN(c3ccccn3)CC2)ccc1OC ZINC000057963426 823351049 /nfs/dbraw/zinc/35/10/49/823351049.db2.gz FRMVRDRXRFESTF-UHFFFAOYSA-N 1 0 383.536 4.418 20 0 GIADRO Fc1ccc([C@H](C[C@H]2CCCO2)[NH2+]Cc2cccc(Cn3ccnc3)c2)cc1 ZINC000572532682 823355831 /nfs/dbraw/zinc/35/58/31/823355831.db2.gz ZXVZOEPKIAUCEZ-PKTZIBPZSA-N 1 0 379.479 4.471 20 0 GIADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C2(Cc3cccs3)CCCCC2)C1 ZINC000572534404 823355965 /nfs/dbraw/zinc/35/59/65/823355965.db2.gz AGJNSVIDQBBZJS-IBGZPJMESA-N 1 0 392.609 4.200 20 0 GIADRO O=C([C@@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1)N1CCCCC1 ZINC000021702856 818728158 /nfs/dbraw/zinc/72/81/58/818728158.db2.gz IKJBSSIQAXQMEI-DEOSSOPVSA-N 1 0 391.559 4.126 20 0 GIADRO CN(C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000460341852 823358610 /nfs/dbraw/zinc/35/86/10/823358610.db2.gz YJKWVMKTNOTMGX-CEXWTWQISA-N 1 0 397.485 4.414 20 0 GIADRO C[C@H]1CCC[C@](CNC(=O)c2cc(Br)ccc2Cl)([NH+](C)C)C1 ZINC000058066486 823358788 /nfs/dbraw/zinc/35/87/88/823358788.db2.gz SXGKDOQNRWWTNU-SJCJKPOMSA-N 1 0 387.749 4.343 20 0 GIADRO COc1ccc(OC)c(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)c1 ZINC000409980435 823361337 /nfs/dbraw/zinc/36/13/37/823361337.db2.gz YSCOCKOCMMBFNG-UHFFFAOYSA-N 1 0 382.504 4.010 20 0 GIADRO Fc1ccccc1-c1noc(C[NH+]2CCC(c3c[nH]c4ncccc34)CC2)n1 ZINC000189110818 823359240 /nfs/dbraw/zinc/35/92/40/823359240.db2.gz IEAWGSCEXYUCFX-UHFFFAOYSA-N 1 0 377.423 4.132 20 0 GIADRO CCCC[C@H](C)N(C)C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000460345699 823359541 /nfs/dbraw/zinc/35/95/41/823359541.db2.gz HIILQSAKYJBFRZ-ROUUACIJSA-N 1 0 392.563 4.249 20 0 GIADRO CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@H]3CSc4ccccc43)c2)CC1 ZINC000122476382 823359960 /nfs/dbraw/zinc/35/99/60/823359960.db2.gz UBWHEEIIYXOJHP-FQEVSTJZSA-N 1 0 381.545 4.045 20 0 GIADRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)CCCOc1cccc(F)c1 ZINC000058073417 823360082 /nfs/dbraw/zinc/36/00/82/823360082.db2.gz QTBXJTPPEXCMBY-IRLDBZIGSA-N 1 0 382.479 4.128 20 0 GIADRO C[NH+](C)CCSc1nnc(-c2ccccc2Cl)n1-c1ccccc1F ZINC000058076552 823360405 /nfs/dbraw/zinc/36/04/05/823360405.db2.gz PZAOABAGWLLHEC-UHFFFAOYSA-N 1 0 376.888 4.381 20 0 GIADRO CCCCN(C(=O)c1[nH]nc2c1cccc2OC)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000572560237 823360817 /nfs/dbraw/zinc/36/08/17/823360817.db2.gz LMEFFIPCJJCDTC-UHFFFAOYSA-N 1 0 386.540 4.123 20 0 GIADRO C[C@@H](C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)n1cnc2ccccc21 ZINC000409984462 823362408 /nfs/dbraw/zinc/36/24/08/823362408.db2.gz KVZNRNGNPFVYGJ-IBGZPJMESA-N 1 0 390.531 4.290 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)CCC(=O)c3ccc(C)s3)c(C)c2)CC1 ZINC000022067977 818769675 /nfs/dbraw/zinc/76/96/75/818769675.db2.gz TYRCQTLRDLCAJB-UHFFFAOYSA-N 1 0 399.560 4.108 20 0 GIADRO COC(=O)c1cccc(C[N@H+](CCc2ccccc2)Cc2ccc(C)s2)n1 ZINC000572569290 823362818 /nfs/dbraw/zinc/36/28/18/823362818.db2.gz GVXCDKOEIGZKBK-UHFFFAOYSA-N 1 0 380.513 4.483 20 0 GIADRO CC1CC[NH+]([C@H](CNC(=O)CCOc2ccccc2F)c2cccs2)CC1 ZINC000058118368 823362990 /nfs/dbraw/zinc/36/29/90/823362990.db2.gz ANPYWZQIEDQVRS-GOSISDBHSA-N 1 0 390.524 4.246 20 0 GIADRO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1ccc(SC(=O)N(C)C)cc1 ZINC000177065905 823363336 /nfs/dbraw/zinc/36/33/36/823363336.db2.gz UQWZYTFEJUHKRJ-PVPMGCCUSA-N 1 0 390.574 4.391 20 0 GIADRO CCOCc1cccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000177067276 823363520 /nfs/dbraw/zinc/36/35/20/823363520.db2.gz XRNQRNDJBFNMJZ-GCJKJVERSA-N 1 0 381.520 4.398 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N(C)CCC2CCOCC2)cc1 ZINC000122509500 823364885 /nfs/dbraw/zinc/36/48/85/823364885.db2.gz GPNZAMSTZWBMOI-IBGZPJMESA-N 1 0 387.568 4.019 20 0 GIADRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1cn[nH]c1-c1ccsc1 ZINC000189149185 823365420 /nfs/dbraw/zinc/36/54/20/823365420.db2.gz YSVBEFIGUURRRD-UHFFFAOYSA-N 1 0 398.557 4.248 20 0 GIADRO C[C@H](NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccccc1Oc1ccccc1 ZINC000572585726 823365799 /nfs/dbraw/zinc/36/57/99/823365799.db2.gz MITBKBVAVNHIHT-GBESFXJTSA-N 1 0 379.504 4.181 20 0 GIADRO COc1ccc(NC(=O)[C@H]([NH2+][C@H](CCO)C(C)C)c2ccccc2)cc1Cl ZINC000460352964 823361694 /nfs/dbraw/zinc/36/16/94/823361694.db2.gz OQUGELDOOBKFDB-UYAOXDASSA-N 1 0 390.911 4.025 20 0 GIADRO CC(C)(C)c1csc(C[NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)n1 ZINC000189162060 823368136 /nfs/dbraw/zinc/36/81/36/823368136.db2.gz LMBYULACKWBPPS-UHFFFAOYSA-N 1 0 397.544 4.138 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(Br)cc1F)c1ccccc1 ZINC000022752747 818855925 /nfs/dbraw/zinc/85/59/25/818855925.db2.gz NDSXDJSDUUMJMY-GOSISDBHSA-N 1 0 393.300 4.401 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1cccc(OC[C@@H]2CCCO2)c1)c1ccccc1 ZINC000022753013 818856015 /nfs/dbraw/zinc/85/60/15/818856015.db2.gz SCEIROFJOUWAJO-XZOQPEGZSA-N 1 0 396.531 4.057 20 0 GIADRO COc1ccccc1C[NH2+]Cc1ccc(OCc2c(C)noc2C)c(OC)c1 ZINC000022773061 818858750 /nfs/dbraw/zinc/85/87/50/818858750.db2.gz NTRCMOAZJSBXKV-UHFFFAOYSA-N 1 0 382.460 4.177 20 0 GIADRO COc1cc(C[NH2+][C@H](C)c2ccc(Br)cc2)cc2c1OCCO2 ZINC000022783889 818860874 /nfs/dbraw/zinc/86/08/74/818860874.db2.gz NYCKADCDWIHAHK-GFCCVEGCSA-N 1 0 378.266 4.080 20 0 GIADRO CC(C)[C@@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)Nc3ccc4c(c3)CCC4)c2C1 ZINC000189171527 823369788 /nfs/dbraw/zinc/36/97/88/823369788.db2.gz KGBCJBQZNYRGEV-MRXNPFEDSA-N 1 0 391.515 4.113 20 0 GIADRO CC[C@@H](C)[NH2+][C@H](CNC(=O)Cc1ccc(C)c(Br)c1)c1ccco1 ZINC000572625039 823371322 /nfs/dbraw/zinc/37/13/22/823371322.db2.gz LBGWCJXWXHONTK-RHSMWYFYSA-N 1 0 393.325 4.139 20 0 GIADRO CC[NH+](CC)CCOc1ccc(CNC(=O)c2cc(C)n(C(C)C)c2C)cc1 ZINC000058257684 823372227 /nfs/dbraw/zinc/37/22/27/823372227.db2.gz ZSHNWDQBNCPCOX-UHFFFAOYSA-N 1 0 385.552 4.336 20 0 GIADRO CC(C)c1c(C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cnn1-c1ccccc1Cl ZINC000189187154 823372230 /nfs/dbraw/zinc/37/22/30/823372230.db2.gz BGWNMVYXQMOEMM-GJZGRUSLSA-N 1 0 386.927 4.004 20 0 GIADRO Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000189187088 823372355 /nfs/dbraw/zinc/37/23/55/823372355.db2.gz FKPKTFNABDSQGO-IAQYHMDHSA-N 1 0 393.409 4.024 20 0 GIADRO COc1ccc(NC(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCCC2)cc1 ZINC000023233140 818915440 /nfs/dbraw/zinc/91/54/40/818915440.db2.gz WVZILDYTWGKKQJ-NRFANRHFSA-N 1 0 383.492 4.053 20 0 GIADRO Cc1c2ccc3ccccc3c2oc1C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000177104980 823372804 /nfs/dbraw/zinc/37/28/04/823372804.db2.gz DLIDFUBIFPXBPH-UHFFFAOYSA-N 1 0 394.515 4.467 20 0 GIADRO COc1ccc(F)cc1C[NH2+]Cc1ccc(OC)c(OCc2cccnc2)c1 ZINC000189198408 823374224 /nfs/dbraw/zinc/37/42/24/823374224.db2.gz BKDJGJIANQHPLW-UHFFFAOYSA-N 1 0 382.435 4.107 20 0 GIADRO Cc1cccc(Oc2cc(CNC(=O)N[C@@H](C)C[N@H+](C)C(C)C)ccn2)c1C ZINC000460392899 823374227 /nfs/dbraw/zinc/37/42/27/823374227.db2.gz LWVWYIRVVKQSQW-KRWDZBQOSA-N 1 0 384.524 4.019 20 0 GIADRO O=C(CN1CCC[N@H+](Cc2ccccc2)CC1)Nc1cc(Cl)ccc1Cl ZINC000023354623 818926997 /nfs/dbraw/zinc/92/69/97/818926997.db2.gz POWSHSQUBJQMHI-UHFFFAOYSA-N 1 0 392.330 4.140 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)N[C@H](C)c2ccccc2SC)CC1 ZINC000410029382 823374454 /nfs/dbraw/zinc/37/44/54/823374454.db2.gz ZDWULOSSBFYHBR-QGZVFWFLSA-N 1 0 398.576 4.433 20 0 GIADRO Cc1cc(-c2ncccc2NC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cs1 ZINC000189201598 823374767 /nfs/dbraw/zinc/37/47/67/823374767.db2.gz PJBZXUGTNHMULF-QGZVFWFLSA-N 1 0 384.549 4.458 20 0 GIADRO C/C=C/c1ccc(OC[C@@H](O)C[N@H+](C)Cc2cccc(Cl)c2)c(OC)c1 ZINC000023409595 818935456 /nfs/dbraw/zinc/93/54/56/818935456.db2.gz DOWFFKDBTBOXOA-OQBYNLHGSA-N 1 0 375.896 4.253 20 0 GIADRO COc1ccc([C@@H](CNC(=O)[C@H](C)Sc2ccc(C)cc2)[NH+]2CCCC2)cc1 ZINC000023487196 818945826 /nfs/dbraw/zinc/94/58/26/818945826.db2.gz NIUDTFXOVFGSLH-PGRDOPGGSA-N 1 0 398.572 4.438 20 0 GIADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2ccccc2C(=O)c2ccc(F)cc2)C1 ZINC000058296241 823375778 /nfs/dbraw/zinc/37/57/78/823375778.db2.gz UYCIMFIPZLMZOB-GOSISDBHSA-N 1 0 396.506 4.299 20 0 GIADRO Cc1ccccc1-c1nnc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1C1CC1 ZINC000572654501 823376367 /nfs/dbraw/zinc/37/63/67/823376367.db2.gz FGQZRIFGCKODBG-UWJYYQICSA-N 1 0 377.536 4.042 20 0 GIADRO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1cc(F)c(F)cc1F ZINC000572655414 823376491 /nfs/dbraw/zinc/37/64/91/823376491.db2.gz ASCLQLYEOLDFED-INIZCTEOSA-N 1 0 376.422 4.136 20 0 GIADRO Cc1cccc(NC2CC[NH+]([C@H](C)C(=O)NCc3ccc(Cl)cc3)CC2)c1 ZINC000572655423 823376639 /nfs/dbraw/zinc/37/66/39/823376639.db2.gz AWSIKCWKYCNGDK-QGZVFWFLSA-N 1 0 385.939 4.230 20 0 GIADRO CCOC(=O)c1cccc(OC[C@H](O)C[NH2+][C@@H](C)c2cccc3ccccc32)c1 ZINC000023676700 818972595 /nfs/dbraw/zinc/97/25/95/818972595.db2.gz VIWGJQDVILMTBS-FXAWDEMLSA-N 1 0 393.483 4.107 20 0 GIADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2ccc(C3SCCCS3)cc2)C1 ZINC000122585088 823377059 /nfs/dbraw/zinc/37/70/59/823377059.db2.gz RJSHHLMKERFYMY-MRXNPFEDSA-N 1 0 378.607 4.406 20 0 GIADRO O=C(Cc1ccc(Cl)c(Cl)c1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000023738572 818977171 /nfs/dbraw/zinc/97/71/71/818977171.db2.gz SRYBOTOVGVGAKC-LJQANCHMSA-N 1 0 377.315 4.489 20 0 GIADRO COc1ccccc1Oc1ccc(CNC(=O)N[C@H](C)C[N@H+](C)C(C)C)cc1 ZINC000572658288 823377391 /nfs/dbraw/zinc/37/73/91/823377391.db2.gz JCRMQZZOIDUATD-QGZVFWFLSA-N 1 0 385.508 4.015 20 0 GIADRO O=C(NCc1ccccc1Cn1ccnc1)NCC1(Cc2ccccc2)CCC1 ZINC000572690388 823383776 /nfs/dbraw/zinc/38/37/76/823383776.db2.gz IMWCBORUIGDQKV-UHFFFAOYSA-N 1 0 388.515 4.144 20 0 GIADRO c1c(C[NH2+]C2CC2)c(-c2ccc3c(c2)OCCCO3)nn1Cc1ccccc1 ZINC000024081566 819020549 /nfs/dbraw/zinc/02/05/49/819020549.db2.gz MPLCVIZGWXMLSG-UHFFFAOYSA-N 1 0 375.472 4.012 20 0 GIADRO COc1ccc([C@H](C[NH2+]Cc2cnn(-c3ccccc3)c2)N2CCCCC2)cc1 ZINC000024081789 819020647 /nfs/dbraw/zinc/02/06/47/819020647.db2.gz IMSJXVRJVONPKO-DEOSSOPVSA-N 1 0 390.531 4.198 20 0 GIADRO CN(C)C(=O)c1cccc(CC[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)c1 ZINC000189245162 823380670 /nfs/dbraw/zinc/38/06/70/823380670.db2.gz ORDKKWZXROLMMS-UHFFFAOYSA-N 1 0 384.829 4.393 20 0 GIADRO CC(C)Cn1ncc(C(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1C(F)F ZINC000122609268 823380803 /nfs/dbraw/zinc/38/08/03/823380803.db2.gz QIRSLSRRPDXTQF-QGZVFWFLSA-N 1 0 396.526 4.061 20 0 GIADRO O=C(Cc1ccc(OC(F)F)cc1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000024186584 819031033 /nfs/dbraw/zinc/03/10/33/819031033.db2.gz KUXVPEOWEXDCDV-UHFFFAOYSA-N 1 0 388.458 4.133 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)N2C[C@@H](C)O[C@@H](c3ccccc3)C2)cc1 ZINC000410053169 823380951 /nfs/dbraw/zinc/38/09/51/823380951.db2.gz LJZDLFYVJMHQBM-AUSIDOKSSA-N 1 0 395.547 4.200 20 0 GIADRO CC1CC[NH+](Cc2ccc(NC(=O)c3cc4ccccc4c(=O)[nH]3)cc2)CC1 ZINC000058353314 823381741 /nfs/dbraw/zinc/38/17/41/823381741.db2.gz LCXZUZVMHAPFGN-UHFFFAOYSA-N 1 0 375.472 4.012 20 0 GIADRO C[C@H]([NH2+]Cc1cnn(Cc2ccc(F)cc2)c1)c1ccc(-n2cccn2)cc1 ZINC000189260383 823382926 /nfs/dbraw/zinc/38/29/26/823382926.db2.gz LAAZVFBQFUEEAW-KRWDZBQOSA-N 1 0 375.451 4.107 20 0 GIADRO O=C(c1ccc(Oc2ccccc2)cc1)C(C(=S)NC1CC1)[n+]1ccccc1 ZINC000024565923 819072128 /nfs/dbraw/zinc/07/21/28/819072128.db2.gz XTWOMIAUKVPDCI-UHFFFAOYSA-O 1 0 389.500 4.457 20 0 GIADRO CCc1noc(-c2ccc(C)c(NC(=O)NCCCC[N@@H+]3CCCC[C@@H]3C)c2)n1 ZINC000177150526 823383689 /nfs/dbraw/zinc/38/36/89/823383689.db2.gz WEMNLULHNGLKMD-KRWDZBQOSA-N 1 0 399.539 4.384 20 0 GIADRO CC(=O)Nc1ccc(C[NH2+][C@H](C)[C@H](OC2CCOCC2)c2ccccc2)cc1 ZINC000122629575 823384754 /nfs/dbraw/zinc/38/47/54/823384754.db2.gz IQIOYLSQTJUNAY-HXOBKFHXSA-N 1 0 382.504 4.060 20 0 GIADRO CCCCOc1ccc(NC(=O)C(=O)Nc2cc(C[NH+](C)C)ccc2C)c(C)c1 ZINC000189278923 823385891 /nfs/dbraw/zinc/38/58/91/823385891.db2.gz VBSKBNGQTJUGKG-UHFFFAOYSA-N 1 0 397.519 4.121 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)CCOc2ccc(Cl)cc2)CC1 ZINC000058400277 823386246 /nfs/dbraw/zinc/38/62/46/823386246.db2.gz GTSVWTJLJWFCRO-UHFFFAOYSA-N 1 0 386.923 4.198 20 0 GIADRO Cn1nccc1[C@H]1C[C@H]([NH2+]Cc2ccc(Oc3ccc(F)cc3)cc2)CCO1 ZINC000572710708 823387010 /nfs/dbraw/zinc/38/70/10/823387010.db2.gz WWPMZACALKPLBH-XMSQKQJNSA-N 1 0 381.451 4.361 20 0 GIADRO C[C@@H]([NH2+]Cc1cc2ccccc2[nH]c1=O)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000122644801 823387017 /nfs/dbraw/zinc/38/70/17/823387017.db2.gz BGOYCQVCLCQOPE-UZUQRXQVSA-N 1 0 392.499 4.355 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)NCC2CCC(F)(F)CC2)[C@@H]1c1cccs1 ZINC000410089107 823387496 /nfs/dbraw/zinc/38/74/96/823387496.db2.gz RJCRQLXYZPTEDF-NVXWUHKLSA-N 1 0 385.524 4.256 20 0 GIADRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cc(O)ccc1C(F)(F)F ZINC000189290629 823388295 /nfs/dbraw/zinc/38/82/95/823388295.db2.gz OOORMZXWKIFCCI-ZDUSSCGKSA-N 1 0 398.450 4.115 20 0 GIADRO C[NH+]1CCC(CCNC(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)CC1 ZINC000189317682 823392757 /nfs/dbraw/zinc/39/27/57/823392757.db2.gz AEGFQZSHNTUHND-UHFFFAOYSA-N 1 0 396.409 4.307 20 0 GIADRO C[C@@H]([NH2+]CC1=Cc2ccccc2OC1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000122680138 823393595 /nfs/dbraw/zinc/39/35/95/823393595.db2.gz OKZKWGZEBPMFPV-KOSHJBKYSA-N 1 0 379.500 4.377 20 0 GIADRO CC[NH+](CC)CCOc1ccc(CNC(=O)NCC2CCC(F)(F)CC2)cc1 ZINC000410097822 823390482 /nfs/dbraw/zinc/39/04/82/823390482.db2.gz VXYGNULARHTHGZ-UHFFFAOYSA-N 1 0 397.510 4.032 20 0 GIADRO Cc1cc(OCCC[C@H](C)[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)ccc1Cl ZINC000572738373 823390928 /nfs/dbraw/zinc/39/09/28/823390928.db2.gz BFQHBZOFUYMYLB-UEXGIBASSA-N 1 0 395.971 4.353 20 0 GIADRO Cc1cc(OCCC[C@H](C)[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)ccc1Cl ZINC000572738374 823390977 /nfs/dbraw/zinc/39/09/77/823390977.db2.gz BFQHBZOFUYMYLB-WAOWUJCRSA-N 1 0 395.971 4.353 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)N[C@@H](CO)c2cccc(Cl)c2F)cc1)C(C)C ZINC000410098659 823390981 /nfs/dbraw/zinc/39/09/81/823390981.db2.gz GJDHCXVAZFKVLV-IBGZPJMESA-N 1 0 392.902 4.173 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc2nc(C3CC3)sc2c1)Cc1ccccc1 ZINC000058454553 823394269 /nfs/dbraw/zinc/39/42/69/823394269.db2.gz PPAUSSIPDWCAKW-GOSISDBHSA-N 1 0 394.544 4.468 20 0 GIADRO O=C(Nc1cccc(OCc2cccc(F)c2)c1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000572787947 823398546 /nfs/dbraw/zinc/39/85/46/823398546.db2.gz CPLDNEFHZUKGPL-OAQYLSRUSA-N 1 0 397.494 4.497 20 0 GIADRO c1ccc(CCn2c(C3CCC3)nnc2N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000460455660 823395291 /nfs/dbraw/zinc/39/52/91/823395291.db2.gz PBUFYEXAJXLPTL-JOCHJYFZSA-N 1 0 393.579 4.243 20 0 GIADRO O=C(c1ccoc1C(F)(F)F)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000572772300 823396212 /nfs/dbraw/zinc/39/62/12/823396212.db2.gz QXCDZDLVLYIDBD-FQEVSTJZSA-N 1 0 392.421 4.427 20 0 GIADRO CC(C)c1noc(Cc2ccc(NC(=O)NCC[C@@H](C)[NH+]3CCCCC3)cc2)n1 ZINC000572783481 823398163 /nfs/dbraw/zinc/39/81/63/823398163.db2.gz RDLWPHHBKXYCMC-QGZVFWFLSA-N 1 0 399.539 4.170 20 0 GIADRO O=C(Nc1ccc(OCc2cccnc2)cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000122708235 823398204 /nfs/dbraw/zinc/39/82/04/823398204.db2.gz USNWSYAGXUYHOK-UHFFFAOYSA-N 1 0 394.519 4.143 20 0 GIADRO C[N@H+](CCC(=O)Nc1cc(N)ccc1F)C1c2ccccc2-c2ccccc21 ZINC000177208797 823399581 /nfs/dbraw/zinc/39/95/81/823399581.db2.gz QDIJGHNFSCPGHU-UHFFFAOYSA-N 1 0 375.447 4.438 20 0 GIADRO CC[NH+](CC)CC(=O)Nc1cccc(NCc2ccc(-c3cnn(C)c3)s2)c1 ZINC000572796693 823400159 /nfs/dbraw/zinc/40/01/59/823400159.db2.gz UXQGBEMVZNWSSC-UHFFFAOYSA-N 1 0 397.548 4.041 20 0 GIADRO COc1ccccc1[C@@H]1CCN(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000122742172 823404048 /nfs/dbraw/zinc/40/40/48/823404048.db2.gz WWHCGDKMATWKBB-IFMALSPDSA-N 1 0 393.531 4.031 20 0 GIADRO CC(C)Cn1ncc(-c2nc(-c3cccc(OCC[NH+](C)C)c3)no2)c1C1CC1 ZINC000572799965 823401277 /nfs/dbraw/zinc/40/12/77/823401277.db2.gz BJOSRHICLPCGHI-UHFFFAOYSA-N 1 0 395.507 4.074 20 0 GIADRO CC(C)(C)N(Cc1ccccc1)C(=O)C[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000058505721 823401683 /nfs/dbraw/zinc/40/16/83/823401683.db2.gz SWPWASNYWFCBKY-DEOSSOPVSA-N 1 0 394.559 4.259 20 0 GIADRO COc1cc(C[N@H+](C)C[C@H](O)COCc2ccccc2Cl)ccc1SC ZINC000058528324 823404220 /nfs/dbraw/zinc/40/42/20/823404220.db2.gz SZHYYYBQHWGYOG-KRWDZBQOSA-N 1 0 395.952 4.080 20 0 GIADRO CC(C)(CCC[NH3+])NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000572845051 823408521 /nfs/dbraw/zinc/40/85/21/823408521.db2.gz BDYQESXAXDJBFH-UHFFFAOYSA-N 1 0 381.398 4.140 20 0 GIADRO Cc1cccc(NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1Cl ZINC000572818090 823404914 /nfs/dbraw/zinc/40/49/14/823404914.db2.gz VTMGKJXGPJCPDK-SFHVURJKSA-N 1 0 387.911 4.061 20 0 GIADRO CCCc1nnc(NC(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)s1 ZINC000058534129 823405488 /nfs/dbraw/zinc/40/54/88/823405488.db2.gz XIQNFEJDURYJRZ-OAHLLOKOSA-N 1 0 387.553 4.187 20 0 GIADRO CCC[NH+]1CCC([NH2+]CCC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000572822405 823405609 /nfs/dbraw/zinc/40/56/09/823405609.db2.gz QSWNLOAXKGLNFR-UHFFFAOYSA-N 1 0 381.520 4.272 20 0 GIADRO Cc1nn(-c2ccccc2)cc1CCC[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000177236742 823406800 /nfs/dbraw/zinc/40/68/00/823406800.db2.gz MWKDLGJJAVKIGV-UHFFFAOYSA-N 1 0 398.551 4.102 20 0 GIADRO Cc1cccc(-c2nnc(N3CCC[C@@H](C[NH+]4CCCCCC4)C3)n2C(C)C)n1 ZINC000572832212 823406992 /nfs/dbraw/zinc/40/69/92/823406992.db2.gz QBRAOMLDAXCIBX-FQEVSTJZSA-N 1 0 396.583 4.322 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(CN2CCCC2=O)cc1)c1ccc(Br)cc1 ZINC000177238033 823407021 /nfs/dbraw/zinc/40/70/21/823407021.db2.gz MQDOCLQYPXOWKG-OAHLLOKOSA-N 1 0 387.321 4.422 20 0 GIADRO Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+][C@H](C)C(=O)Nc1c(C)nn(C)c1C ZINC000122762226 823407604 /nfs/dbraw/zinc/40/76/04/823407604.db2.gz VYTUDNBYAPULTA-VQIMIIECSA-N 1 0 396.560 4.307 20 0 GIADRO Cc1ccc(-c2ccnn2C)cc1NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000410186450 823413829 /nfs/dbraw/zinc/41/38/29/823413829.db2.gz TUXRZIWFPFCLBP-NRFANRHFSA-N 1 0 388.515 4.246 20 0 GIADRO CC(C)[C@H](NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1 ZINC000410186770 823413900 /nfs/dbraw/zinc/41/39/00/823413900.db2.gz AZHKVVYMKVUFSK-NRFANRHFSA-N 1 0 384.499 4.134 20 0 GIADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)CCc2ccc(OC(F)(F)F)cc2)C1 ZINC000410177460 823411630 /nfs/dbraw/zinc/41/16/30/823411630.db2.gz DWTNMEYSRLRTAO-SOLBZPMBSA-N 1 0 398.469 4.382 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccccc1-n1cccn1)c1ccc(N2CCOC2=O)cc1 ZINC000177257830 823411703 /nfs/dbraw/zinc/41/17/03/823411703.db2.gz LANIWSNLMXMIOH-IAGOWNOFSA-N 1 0 376.460 4.241 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccccc1-n1cccn1)c1ccc(N2CCOC2=O)cc1 ZINC000177257769 823411817 /nfs/dbraw/zinc/41/18/17/823411817.db2.gz LANIWSNLMXMIOH-IRXDYDNUSA-N 1 0 376.460 4.241 20 0 GIADRO C[NH+](C)CC[C@H](NC(=O)c1nc2ccccc2cc1Br)C(C)(C)C ZINC000572878090 823412896 /nfs/dbraw/zinc/41/28/96/823412896.db2.gz OLNCCAXIMXDYMZ-INIZCTEOSA-N 1 0 392.341 4.094 20 0 GIADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)C[C@H](C)c2ccc(Br)cc2)C1 ZINC000122768901 823409021 /nfs/dbraw/zinc/40/90/21/823409021.db2.gz VKJJWXJKBUQFRD-HOTGVXAUSA-N 1 0 381.358 4.133 20 0 GIADRO CC1CC[NH+](Cc2ccc(CNC(=O)NCc3cc4ccccc4[nH]3)cc2)CC1 ZINC000058558603 823409140 /nfs/dbraw/zinc/40/91/40/823409140.db2.gz BHECQTVKICJZHV-UHFFFAOYSA-N 1 0 390.531 4.399 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(-n2cccn2)c1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000122771965 823409544 /nfs/dbraw/zinc/40/95/44/823409544.db2.gz PCLHZOJOSLGXKJ-YADARESESA-N 1 0 391.515 4.287 20 0 GIADRO C[C@@H]([NH2+]C1(CNC(=O)CSCc2cscn2)CCCC1)c1ccccc1 ZINC000122802327 823414757 /nfs/dbraw/zinc/41/47/57/823414757.db2.gz QGSIYOHENDFBDM-MRXNPFEDSA-N 1 0 389.590 4.156 20 0 GIADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](CN(C)C)c2ccc(F)cc2)c2ccccc21 ZINC000572890983 823414938 /nfs/dbraw/zinc/41/49/38/823414938.db2.gz QOHIEEWHIKYTRZ-BHIFYINESA-N 1 0 384.495 4.200 20 0 GIADRO COc1ccc(C[NH2+][C@@H](C)[C@H](OC2CCOCC2)c2ccccc2)c(OC)c1 ZINC000122802893 823415044 /nfs/dbraw/zinc/41/50/44/823415044.db2.gz HSFRMWAYNBCXOW-SBUREZEXSA-N 1 0 385.504 4.119 20 0 GIADRO CCC[N@@H+]1CC[C@@H](CNC(=O)N(Cc2cccc(-c3cccnc3)c2)C2CC2)C1 ZINC000122812232 823416611 /nfs/dbraw/zinc/41/66/11/823416611.db2.gz UXVBESQHHPXFDQ-FQEVSTJZSA-N 1 0 392.547 4.155 20 0 GIADRO Cc1nc(CSc2ccc(C(=O)N(C)[C@H]3CC[N@H+](C)[C@H](C)C3)cc2)cs1 ZINC000122812263 823416656 /nfs/dbraw/zinc/41/66/56/823416656.db2.gz YUKCMCVXCMKVJQ-KDOFPFPSSA-N 1 0 389.590 4.299 20 0 GIADRO Cc1cccc(C(C)C)c1NC(=O)C[NH2+][C@@H](C)C1CCN(CC(F)(F)F)CC1 ZINC000572904903 823417534 /nfs/dbraw/zinc/41/75/34/823417534.db2.gz UNYZZVRUCROJRZ-INIZCTEOSA-N 1 0 399.501 4.309 20 0 GIADRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)NCc2ccc(F)cc2C(F)(F)F)C1 ZINC000410200677 823417852 /nfs/dbraw/zinc/41/78/52/823417852.db2.gz VBBKYHHGOMMMER-KBPBESRZSA-N 1 0 389.437 4.012 20 0 GIADRO CC(C)[C@@H](C[NH2+][C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2)NC(=O)OC(C)(C)C ZINC000122846001 823422316 /nfs/dbraw/zinc/42/23/16/823422316.db2.gz IIICPFSMPOSNJB-RDTXWAMCSA-N 1 0 389.540 4.116 20 0 GIADRO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)c(C)s1 ZINC000122845440 823422359 /nfs/dbraw/zinc/42/23/59/823422359.db2.gz AFXIHQGFVHPPDE-LSDHHAIUSA-N 1 0 378.563 4.317 20 0 GIADRO CCSc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000177291288 823423125 /nfs/dbraw/zinc/42/31/25/823423125.db2.gz YRBXYRLDMVNSQL-CVEARBPZSA-N 1 0 392.590 4.461 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)C2CCCCC2)C1)c1cccc(Br)c1 ZINC000410223123 823424122 /nfs/dbraw/zinc/42/41/22/823424122.db2.gz BMFUMCGPXOYNCW-RDTXWAMCSA-N 1 0 379.342 4.281 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1cc2ccc(C)cc2[nH]1)c1cccc(OC)c1 ZINC000058648087 823424289 /nfs/dbraw/zinc/42/42/89/823424289.db2.gz BPABCUUSLDTALI-QFIPXVFZSA-N 1 0 379.504 4.298 20 0 GIADRO Cc1ccc(C[C@H](C)NC(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000460528931 823420848 /nfs/dbraw/zinc/42/08/48/823420848.db2.gz NUMQITCJZKCZFX-IOMROCGXSA-N 1 0 397.588 4.151 20 0 GIADRO CCN(Cc1ccccc1)C(=O)C[NH2+][C@H](C)c1cccc(Br)c1 ZINC000410226325 823425424 /nfs/dbraw/zinc/42/54/24/823425424.db2.gz FDJFBKXPJYNPPF-OAHLLOKOSA-N 1 0 375.310 4.148 20 0 GIADRO Cc1ccc(-c2ncccc2NC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)s1 ZINC000189477516 823425660 /nfs/dbraw/zinc/42/56/60/823425660.db2.gz JMNBBOHMDUBCQQ-QGZVFWFLSA-N 1 0 384.549 4.458 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1cccc(OCCF)c1 ZINC000122865619 823425846 /nfs/dbraw/zinc/42/58/46/823425846.db2.gz VZMKOANODZQALQ-UWJYYQICSA-N 1 0 385.483 4.067 20 0 GIADRO CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1coc(-c2cccs2)n1 ZINC000189477969 823426191 /nfs/dbraw/zinc/42/61/91/823426191.db2.gz CMZGAUICEBWXIM-HUUCEWRRSA-N 1 0 377.510 4.329 20 0 GIADRO Cc1ccccc1C1(C[NH2+][C@H]2CCN(C)[C@H](c3ccccc3)C2)CCOCC1 ZINC000572979056 823429355 /nfs/dbraw/zinc/42/93/55/823429355.db2.gz QXBYVGBVDVOJLZ-UPVQGACJSA-N 1 0 378.560 4.468 20 0 GIADRO Cc1sc(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)c(C)c1C ZINC000189482548 823427109 /nfs/dbraw/zinc/42/71/09/823427109.db2.gz NKOYCUGANGHNGC-HZPDHXFCSA-N 1 0 395.569 4.037 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)c2cc(O)ccc2C(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000189483747 823427481 /nfs/dbraw/zinc/42/74/81/823427481.db2.gz REDGULXCQNZUBT-GDBMZVCRSA-N 1 0 392.421 4.194 20 0 GIADRO CSCc1cccc(C[NH2+]Cc2cnc3ccc(Br)cn23)c1 ZINC000189483929 823427530 /nfs/dbraw/zinc/42/75/30/823427530.db2.gz KZLPGJCNKRIKHA-UHFFFAOYSA-N 1 0 376.323 4.250 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC000177307353 823428340 /nfs/dbraw/zinc/42/83/40/823428340.db2.gz LCFJBOOHRPMLOO-IBGZPJMESA-N 1 0 391.515 4.191 20 0 GIADRO Cc1c(C(=O)Nc2cccc3c2C[N@H+](CC(C)C)C3)cnn1Cc1ccccc1 ZINC000122883259 823428374 /nfs/dbraw/zinc/42/83/74/823428374.db2.gz YWJKUEVPUXYINP-UHFFFAOYSA-N 1 0 388.515 4.464 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCCc3c(O)cccc32)CC[N@@H+]1Cc1ccccc1 ZINC000189488233 823428375 /nfs/dbraw/zinc/42/83/75/823428375.db2.gz MJOGMJUCACKSDQ-SFGWALBWSA-N 1 0 393.531 4.122 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)Nc2cccc(COC(C)C)c2)cc1 ZINC000189490431 823429058 /nfs/dbraw/zinc/42/90/58/823429058.db2.gz OGJYIGYKESNXPA-UHFFFAOYSA-N 1 0 397.519 4.031 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H](C)Oc1ccccc1C(F)(F)F ZINC000177313499 823429820 /nfs/dbraw/zinc/42/98/20/823429820.db2.gz IGBGAESFQDVNNH-CQSZACIVSA-N 1 0 380.410 4.481 20 0 GIADRO Cc1ccc2c(C[N@@H+]3CCC[C@@H](c4cc(C(F)(F)F)n[nH]4)C3)ccc(O)c2n1 ZINC000572987731 823430509 /nfs/dbraw/zinc/43/05/09/823430509.db2.gz DDCWMSUMMBLQIN-CQSZACIVSA-N 1 0 390.409 4.370 20 0 GIADRO COc1ccc(-c2ccc(CNC(=O)[C@@H](Cc3ccccc3)[NH+](C)C)cc2)cc1 ZINC000460563782 823434456 /nfs/dbraw/zinc/43/44/56/823434456.db2.gz VLGKKMWEHNITNP-XMMPIXPASA-N 1 0 388.511 4.151 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+][C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)[C@H]1n1cccn1 ZINC000572990889 823430810 /nfs/dbraw/zinc/43/08/10/823430810.db2.gz JVKZJEYKGGSDLC-WJFTUGDTSA-N 1 0 395.425 4.241 20 0 GIADRO C[C@H](NC(=O)NCc1ccc(C[NH+](C)C)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000410242617 823431503 /nfs/dbraw/zinc/43/15/03/823431503.db2.gz UHLYVWJGSNSINJ-AWEZNQCLSA-N 1 0 395.425 4.207 20 0 GIADRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cncc(C(F)(F)F)c1 ZINC000573010130 823433168 /nfs/dbraw/zinc/43/31/68/823433168.db2.gz LPZAQCXYMPKSDE-SFHVURJKSA-N 1 0 391.437 4.131 20 0 GIADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)CCc2ccsc2)CC1 ZINC000024645075 819858743 /nfs/dbraw/zinc/85/87/43/819858743.db2.gz JLVRFXRIUJEARQ-UHFFFAOYSA-N 1 0 377.941 4.115 20 0 GIADRO C[C@@H](C(=O)NCc1ccccc1Cl)[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000024667806 819862882 /nfs/dbraw/zinc/86/28/82/819862882.db2.gz JVFYPYRZUWUCLF-DOTOQJQBSA-N 1 0 397.906 4.366 20 0 GIADRO CC1CC[NH+]([C@H](CNC(=O)N[C@H]2CCc3cc(N)ccc32)c2cccs2)CC1 ZINC000573022267 823435113 /nfs/dbraw/zinc/43/51/13/823435113.db2.gz YGBZKMRGJBDIKT-VQTJNVASSA-N 1 0 398.576 4.090 20 0 GIADRO COc1cc(C)c(C[N@H+](C)CCC(=O)N[C@H]2CCCc3ccccc32)cc1OC ZINC000024804558 819879100 /nfs/dbraw/zinc/87/91/00/819879100.db2.gz JDTDIEBXJNUUGR-NRFANRHFSA-N 1 0 396.531 4.028 20 0 GIADRO CC(C)c1cc(C(=O)Nc2ccccc2C[NH+](C)C)c2cnn(C(C)C)c2n1 ZINC000024810631 819880133 /nfs/dbraw/zinc/88/01/33/819880133.db2.gz JONALRQAEFRKOX-UHFFFAOYSA-N 1 0 379.508 4.450 20 0 GIADRO Fc1ccc(C[N@@H+]2CCCN(Cc3coc(-c4ccc(F)cc4)n3)CC2)cc1 ZINC000024899796 819890933 /nfs/dbraw/zinc/89/09/33/819890933.db2.gz YOHZBXINOUZLPX-UHFFFAOYSA-N 1 0 383.442 4.328 20 0 GIADRO CCC[NH+]1CCC(CNC(=O)c2ccc(NC(=O)c3cccs3)c(C)c2)CC1 ZINC000122935828 823436094 /nfs/dbraw/zinc/43/60/94/823436094.db2.gz LLQPGNMZZWYFSK-UHFFFAOYSA-N 1 0 399.560 4.161 20 0 GIADRO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000573027249 823436260 /nfs/dbraw/zinc/43/62/60/823436260.db2.gz SJVAWHBAFPPYEP-SLFFLAALSA-N 1 0 398.497 4.487 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)CSCC(=O)Nc2ccc(C)cc2)c1 ZINC000024925943 819896003 /nfs/dbraw/zinc/89/60/03/819896003.db2.gz FFQKSZZIDKZDNA-UHFFFAOYSA-N 1 0 399.560 4.147 20 0 GIADRO Cc1ccc(-n2cc(C[N@@H+]3C[C@@H]4CC[C@@H](O)[C@H]4C3)c(-c3ccc(F)cc3)n2)cc1 ZINC000573030148 823436771 /nfs/dbraw/zinc/43/67/71/823436771.db2.gz GAGUVLSZDAKZRZ-OFAXGOBFSA-N 1 0 391.490 4.190 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1CCCCN1Cc1ccc(F)cc1 ZINC000177343621 823440401 /nfs/dbraw/zinc/44/04/01/823440401.db2.gz KFJOLFXFAZLUDL-JOCHJYFZSA-N 1 0 383.511 4.189 20 0 GIADRO CN(CC1([NH+](C)C)CCC1)C(=O)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000189525082 823437667 /nfs/dbraw/zinc/43/76/67/823437667.db2.gz AJPUDOKGESPGNY-IAGOWNOFSA-N 1 0 383.561 4.289 20 0 GIADRO CC(C)[NH2+]C1CCN(C(=O)Nc2ccnn2Cc2cccc3ccccc32)CC1 ZINC000189527543 823437766 /nfs/dbraw/zinc/43/77/66/823437766.db2.gz DSJKBKAZLSVDRL-UHFFFAOYSA-N 1 0 391.519 4.079 20 0 GIADRO CCc1ccc(C[C@H](Cc2ccc(Cl)cc2)[NH2+][C@@H]2CCN(C3CC3)C2)nc1 ZINC000573040745 823438319 /nfs/dbraw/zinc/43/83/19/823438319.db2.gz OEBUNSQDOHVOHF-YADHBBJMSA-N 1 0 383.967 4.278 20 0 GIADRO CC(C)[NH+]1CCN(C(=O)c2cc(-c3ccc(F)cc3)nc3ccccc32)CC1 ZINC000025136518 819934568 /nfs/dbraw/zinc/93/45/68/819934568.db2.gz CHKRLVAIBMUHNY-UHFFFAOYSA-N 1 0 377.463 4.207 20 0 GIADRO COc1cc(C[N@H+](C)CC2CC2)ccc1OCC(=O)Nc1ccccc1Cl ZINC000122951194 823438934 /nfs/dbraw/zinc/43/89/34/823438934.db2.gz XKRIPSZERIVELP-UHFFFAOYSA-N 1 0 388.895 4.208 20 0 GIADRO CCN(C(=O)[C@H](C)[NH2+][C@@H]1c2ccccc2CC12CCOCC2)C1CCCCC1 ZINC000573048051 823439708 /nfs/dbraw/zinc/43/97/08/823439708.db2.gz MIZDLMPIYYKNTL-PGRDOPGGSA-N 1 0 384.564 4.240 20 0 GIADRO C[C@H]([NH2+][C@H]1CCSc2ccc(Cl)cc21)C(=O)NC(=O)NC1CCCCC1 ZINC000025215915 819943972 /nfs/dbraw/zinc/94/39/72/819943972.db2.gz QJLGUORGLKJWBI-LRDDRELGSA-N 1 0 395.956 4.014 20 0 GIADRO CCN(CCC[NH+]1CCCC1)C(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000189536880 823439923 /nfs/dbraw/zinc/43/99/23/823439923.db2.gz XVHZVYWOQLWETM-UHFFFAOYSA-N 1 0 394.519 4.279 20 0 GIADRO CC[N@@H+](Cc1ccc(OC)c(OC)c1)C[C@H](O)COc1ccc2ccccc2c1 ZINC000025234630 819947807 /nfs/dbraw/zinc/94/78/07/819947807.db2.gz MXBSMZASCMIQEE-NRFANRHFSA-N 1 0 395.499 4.119 20 0 GIADRO CCOc1ccc(OC[C@H](O)C[N@H+](C)Cc2ccc3cc(OC)ccc3c2)cc1 ZINC000025233831 819947960 /nfs/dbraw/zinc/94/79/60/819947960.db2.gz WEZGLNCSJCDXRV-OAQYLSRUSA-N 1 0 395.499 4.119 20 0 GIADRO COc1cc(C[NH2+]C(C)C)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000025258976 819952050 /nfs/dbraw/zinc/95/20/50/819952050.db2.gz QRTWAPJMQZUBSN-UHFFFAOYSA-N 1 0 380.847 4.003 20 0 GIADRO COc1cccc([C@H]2[C@H](NC(=O)Nc3ccc4[nH]ccc4c3)CC[N@@H+]2C2CC2)c1 ZINC000189544434 823440984 /nfs/dbraw/zinc/44/09/84/823440984.db2.gz DUNRHGMZFLTSPD-YADHBBJMSA-N 1 0 390.487 4.276 20 0 GIADRO CCOc1ccc(/C=N/C[C@H](c2ccc(OC)cc2)[NH+]2CCCCC2)c(O)c1 ZINC000025258286 819952134 /nfs/dbraw/zinc/95/21/34/819952134.db2.gz NNSQWWRRQSSXNI-ZHNJOBQTSA-N 1 0 382.504 4.446 20 0 GIADRO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000122968821 823441506 /nfs/dbraw/zinc/44/15/06/823441506.db2.gz RWRWUCFYFSCVKU-QHCPKHFHSA-N 1 0 397.563 4.017 20 0 GIADRO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]CCc1nc(C2CCCCC2)cs1 ZINC000122967553 823441532 /nfs/dbraw/zinc/44/15/32/823441532.db2.gz KYOBZCOFWUAFGF-INIZCTEOSA-N 1 0 392.590 4.185 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1cc2c(s1)-c1ccccc1OC2)c1ccsc1 ZINC000025328934 819962951 /nfs/dbraw/zinc/96/29/51/819962951.db2.gz JYRQNPFLQSOVFM-MRXNPFEDSA-N 1 0 384.526 4.402 20 0 GIADRO COCc1c(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)sc2cccc(F)c21 ZINC000025330829 819964004 /nfs/dbraw/zinc/96/40/04/819964004.db2.gz MGOAJBZXJAKMTO-HNNXBMFYSA-N 1 0 392.521 4.281 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ncc(-c2ccccc2Br)o1 ZINC000177347787 823441860 /nfs/dbraw/zinc/44/18/60/823441860.db2.gz SRMCQPYWSVJNMF-CABCVRRESA-N 1 0 390.325 4.163 20 0 GIADRO COc1cc(OC)cc([C@@H](O)C[NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)c1 ZINC000177350235 823442533 /nfs/dbraw/zinc/44/25/33/823442533.db2.gz RREWJJXLBGEEJV-GOTSBHOMSA-N 1 0 381.447 4.256 20 0 GIADRO CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)[NH2+][C@@H](c1ccccc1)C(C)C ZINC000025436121 819979358 /nfs/dbraw/zinc/97/93/58/819979358.db2.gz ADPSIBGHJONGDO-FDDCHVKYSA-N 1 0 395.547 4.021 20 0 GIADRO O[C@H](C[NH+]1CCC(OCc2ccc(Cl)c(Cl)c2)CC1)CC(F)(F)F ZINC000189555353 823443037 /nfs/dbraw/zinc/44/30/37/823443037.db2.gz HYMHABGUWRJSNE-LBPRGKRZSA-N 1 0 386.241 4.288 20 0 GIADRO Cc1oc(-c2ccccc2)nc1C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000025460574 819985021 /nfs/dbraw/zinc/98/50/21/819985021.db2.gz HJDAYQKOJVKDRT-UHFFFAOYSA-N 1 0 389.499 4.217 20 0 GIADRO Cc1ccc(C(=O)CCC(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)cc1C ZINC000025463606 819985954 /nfs/dbraw/zinc/98/59/54/819985954.db2.gz ZKIPCDNSSSLCRK-UHFFFAOYSA-N 1 0 392.543 4.219 20 0 GIADRO CCOc1ccc(C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)cc1OCC ZINC000025461362 819986121 /nfs/dbraw/zinc/98/61/21/819986121.db2.gz HXFNJDUZKAXMDH-UHFFFAOYSA-N 1 0 396.531 4.051 20 0 GIADRO O=C(c1cccc(Cl)c1)N1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000025472488 819987839 /nfs/dbraw/zinc/98/78/39/819987839.db2.gz QIWYRFJFNVVGNP-UHFFFAOYSA-N 1 0 380.875 4.157 20 0 GIADRO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2C(F)(F)F)[C@@H]1c1ccccc1 ZINC000189557954 823443718 /nfs/dbraw/zinc/44/37/18/823443718.db2.gz MAEBPHGQTCNQHE-IRXDYDNUSA-N 1 0 381.373 4.411 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)Cc2c[nH]c3cccc(Cl)c23)CC1 ZINC000573076074 823444234 /nfs/dbraw/zinc/44/42/34/823444234.db2.gz WPRHGQQHDDWZBK-UHFFFAOYSA-N 1 0 395.934 4.487 20 0 GIADRO COc1ccc(-c2nc(CC34CCC[NH+]3CCC4)no2)cc1OC1CCCC1 ZINC000573076092 823444346 /nfs/dbraw/zinc/44/43/46/823444346.db2.gz ZGAVRUBBWBUNBK-UHFFFAOYSA-N 1 0 383.492 4.238 20 0 GIADRO Cc1oc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)nc1C1CC1 ZINC000573077567 823444579 /nfs/dbraw/zinc/44/45/79/823444579.db2.gz FLOHXEUESLHRSF-SFHVURJKSA-N 1 0 382.508 4.283 20 0 GIADRO C/C=C/c1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccc(F)cc2F)c(OC)c1 ZINC000025663958 820012227 /nfs/dbraw/zinc/01/22/27/820012227.db2.gz GRHPQNQYQAPXGN-RMLGOWPTSA-N 1 0 377.431 4.097 20 0 GIADRO COc1ccccc1N1CC[NH+](Cc2c(-c3ccccc3)nc3ccccn32)CC1 ZINC000025784940 820024733 /nfs/dbraw/zinc/02/47/33/820024733.db2.gz DTQXBJHLTZIYFJ-UHFFFAOYSA-N 1 0 398.510 4.332 20 0 GIADRO Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000025814097 820028010 /nfs/dbraw/zinc/02/80/10/820028010.db2.gz UYBWNOFCMYWEQC-CQSZACIVSA-N 1 0 393.578 4.135 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000177344771 823440944 /nfs/dbraw/zinc/44/09/44/823440944.db2.gz PLDJMUANQVPIIA-UHFFFAOYSA-N 1 0 376.460 4.236 20 0 GIADRO O[C@@H](C[NH2+]Cc1ccc(Br)s1)CO[C@H]1CCCc2ccccc21 ZINC000573100288 823447436 /nfs/dbraw/zinc/44/74/36/823447436.db2.gz VDCVUUAMHFPZSL-YOEHRIQHSA-N 1 0 396.350 4.055 20 0 GIADRO O=C(CC[NH+]1CCC([C@H](O)c2ccccc2)CC1)Nc1ccc(Cl)cc1F ZINC000025938331 820042531 /nfs/dbraw/zinc/04/25/31/820042531.db2.gz ZYYBRIFYGVHDIS-OAQYLSRUSA-N 1 0 390.886 4.253 20 0 GIADRO O=C(CC[NH+]1CCC(C(=O)c2ccccc2)CC1)N[C@@H]1CCCc2ccccc21 ZINC000025946909 820042694 /nfs/dbraw/zinc/04/26/94/820042694.db2.gz QBDMOZVJRSSROU-HSZRJFAPSA-N 1 0 390.527 4.165 20 0 GIADRO C[N@H+](Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1)[C@H](CCO)c1ccccc1 ZINC000573139697 823453775 /nfs/dbraw/zinc/45/37/75/823453775.db2.gz GHXFHENORNDRDI-HXUWFJFHSA-N 1 0 389.421 4.447 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCCc2cc(OC(F)F)ccc21)c1ccc(S(C)(=O)=O)cc1 ZINC000123018288 823448874 /nfs/dbraw/zinc/44/88/74/823448874.db2.gz GKSSLEIRJJARJG-YJYMSZOUSA-N 1 0 395.471 4.420 20 0 GIADRO Cc1ccsc1[C@@H]1C[C@H]1C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000123019834 823449177 /nfs/dbraw/zinc/44/91/77/823449177.db2.gz GDIGPHFGOIJFAN-DFQSSKMNSA-N 1 0 398.572 4.176 20 0 GIADRO CC(C)(C)OC(=O)N1Cc2ccc(C[NH2+]Cc3cccc([N+](=O)[O-])c3)cc2C1 ZINC000189578225 823449702 /nfs/dbraw/zinc/44/97/02/823449702.db2.gz AKMKVGSEHCXWCG-UHFFFAOYSA-N 1 0 383.448 4.135 20 0 GIADRO CN(CCOCC1CC1)C(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000573117110 823449834 /nfs/dbraw/zinc/44/98/34/823449834.db2.gz DYIVSTLWALWKQU-UHFFFAOYSA-N 1 0 391.581 4.155 20 0 GIADRO CN(Cc1cccc(Cl)c1)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000026165412 820065607 /nfs/dbraw/zinc/06/56/07/820065607.db2.gz DUZRXOUHCOPACZ-UHFFFAOYSA-N 1 0 385.939 4.318 20 0 GIADRO CC(C)(C)OC(=O)N1CCC([NH2+]CCc2c[nH]c3ccc(Cl)cc23)CC1 ZINC000177382630 823450260 /nfs/dbraw/zinc/45/02/60/823450260.db2.gz YTYKXVLIZICUEU-UHFFFAOYSA-N 1 0 377.916 4.353 20 0 GIADRO Cc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@H]2CCCO2)cc1C ZINC000026302923 820079905 /nfs/dbraw/zinc/07/99/05/820079905.db2.gz BJHSMBMVJJFDOO-HSZRJFAPSA-N 1 0 375.516 4.484 20 0 GIADRO COc1ccc(-c2nn(-c3ccccc3)cc2CNCC(C)(C)C[NH+](C)C)cc1 ZINC000026304071 820080371 /nfs/dbraw/zinc/08/03/71/820080371.db2.gz XBUVVOUKDVQZAK-UHFFFAOYSA-N 1 0 392.547 4.225 20 0 GIADRO CC(C)C(=O)NCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000026309426 820080905 /nfs/dbraw/zinc/08/09/05/820080905.db2.gz BPJUCUUQGSTIIV-UHFFFAOYSA-N 1 0 396.922 4.055 20 0 GIADRO CCOc1ccc(/C=C(\C#N)C(=O)NCc2ccccc2C[NH+](CC)CC)cc1 ZINC000026309171 820081045 /nfs/dbraw/zinc/08/10/45/820081045.db2.gz GMTOFLSXMVPHEK-PXLXIMEGSA-N 1 0 391.515 4.150 20 0 GIADRO CC(C)(C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1)N1CCCCC1 ZINC000026310898 820081697 /nfs/dbraw/zinc/08/16/97/820081697.db2.gz RHPCAVZPJAIFOW-UHFFFAOYSA-N 1 0 389.547 4.288 20 0 GIADRO CCCn1nc(C)c(C[NH2+]Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)c1C ZINC000189582331 823451521 /nfs/dbraw/zinc/45/15/21/823451521.db2.gz KLMLHGYMCPYJLV-UHFFFAOYSA-N 1 0 398.551 4.450 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)C[N@H+]2CCC[C@@H](CC(C)C)C2)c(C(F)(F)F)c1 ZINC000177389296 823451809 /nfs/dbraw/zinc/45/18/09/823451809.db2.gz UQRGGOGMNHMZRN-HNNXBMFYSA-N 1 0 399.457 4.360 20 0 GIADRO Cc1c(O)ccc2c(C[N@@H+]3CCC[C@@H]3CC(=O)c3cccs3)cc(=O)oc12 ZINC000177392826 823452329 /nfs/dbraw/zinc/45/23/29/823452329.db2.gz CPNWXGJILDYKBP-OAHLLOKOSA-N 1 0 383.469 4.106 20 0 GIADRO O=C(CC[N@@H+]1CCC[C@H]1CC(=O)c1cccs1)Nc1ccccc1Cl ZINC000177395540 823453114 /nfs/dbraw/zinc/45/31/14/823453114.db2.gz VVBIBKOFUZDUGO-AWEZNQCLSA-N 1 0 376.909 4.468 20 0 GIADRO COc1cccc([C@H](C)C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccc(C)s3)C2)c1 ZINC000573140023 823453966 /nfs/dbraw/zinc/45/39/66/823453966.db2.gz XCHCMFTYHDUXFR-ZWKOTPCHSA-N 1 0 386.561 4.149 20 0 GIADRO Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000177403229 823454286 /nfs/dbraw/zinc/45/42/86/823454286.db2.gz JCGVYMKKMYUVHY-GOSISDBHSA-N 1 0 384.568 4.370 20 0 GIADRO Cc1cc(O)c(C[N@@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)cc1C(C)C ZINC000026615985 820121435 /nfs/dbraw/zinc/12/14/35/820121435.db2.gz RXTHDAHIRIPDSM-UHFFFAOYSA-N 1 0 384.495 4.311 20 0 GIADRO COc1ccc(Br)cc1C[NH2+]C[C@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000189599239 823455253 /nfs/dbraw/zinc/45/52/53/823455253.db2.gz LTRWTCAXJTUVTR-DOMZBBRYSA-N 1 0 396.247 4.031 20 0 GIADRO O[C@@]1(C[NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)CCC[C@H](C(F)(F)F)C1 ZINC000189598038 823455293 /nfs/dbraw/zinc/45/52/93/823455293.db2.gz TUAFQRUICAUJIG-YOEHRIQHSA-N 1 0 387.833 4.099 20 0 GIADRO COc1ccccc1-c1nc(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)cs1 ZINC000058806146 823455423 /nfs/dbraw/zinc/45/54/23/823455423.db2.gz OPMVRAJKWNBXPU-SFHVURJKSA-N 1 0 387.549 4.059 20 0 GIADRO O[C@@]1(C[NH2+]Cc2cccc(OCC(F)(F)F)c2)CCC[C@@H](C(F)(F)F)C1 ZINC000189600069 823455512 /nfs/dbraw/zinc/45/55/12/823455512.db2.gz BEOAPUABLYMKMC-HIFRSBDPSA-N 1 0 385.348 4.201 20 0 GIADRO O=C(NC[C@H]1CCCc2ccccc21)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000410310738 823459422 /nfs/dbraw/zinc/45/94/22/823459422.db2.gz OXRSRGFYEAKVKX-JOCHJYFZSA-N 1 0 391.559 4.113 20 0 GIADRO Cc1cc(C[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4cnccn4)no3)C2)ccc1Cl ZINC000573153206 823456185 /nfs/dbraw/zinc/45/61/85/823456185.db2.gz KRMOMWBEYHKTDM-IIBYNOLFSA-N 1 0 395.894 4.042 20 0 GIADRO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000573158062 823457005 /nfs/dbraw/zinc/45/70/05/823457005.db2.gz JLTFIYGRQOWCMK-MRUHUIDDSA-N 1 0 387.474 4.330 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)COc1ccc(F)cc1)c1ccc(Oc2cccnc2)cc1 ZINC000573162612 823457482 /nfs/dbraw/zinc/45/74/82/823457482.db2.gz JRESVIVSDBKIOU-LPHOPBHVSA-N 1 0 382.435 4.104 20 0 GIADRO O[C@H](CN1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1)c1ccccc1F ZINC000026914362 820163811 /nfs/dbraw/zinc/16/38/11/820163811.db2.gz VJNSBQMSBZEJAC-HXUWFJFHSA-N 1 0 396.428 4.086 20 0 GIADRO O=C(CC[N@@H+]1CCC[C@H]1c1nc2ccccc2s1)N1CCc2ccccc21 ZINC000026921337 820164310 /nfs/dbraw/zinc/16/43/10/820164310.db2.gz FJZKORDBHAKURC-IBGZPJMESA-N 1 0 377.513 4.413 20 0 GIADRO CC(C)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000460626296 823459618 /nfs/dbraw/zinc/45/96/18/823459618.db2.gz CYDWSJUYGLLIQB-HXUWFJFHSA-N 1 0 399.558 4.119 20 0 GIADRO COC(=O)[C@@H](C)[C@H]([NH2+]Cc1ccc(-n2nc(C)cc2C)cc1)c1ccccc1 ZINC000177417646 823458005 /nfs/dbraw/zinc/45/80/05/823458005.db2.gz ZRQGOSNVAIESAB-AVRDEDQJSA-N 1 0 377.488 4.129 20 0 GIADRO O[C@@]1(C[NH2+]Cc2csc(-c3cccs3)n2)CCC[C@H](C(F)(F)F)C1 ZINC000189618681 823459690 /nfs/dbraw/zinc/45/96/90/823459690.db2.gz OQTMNIUQVWFWFT-NHYWBVRUSA-N 1 0 376.469 4.445 20 0 GIADRO C[NH+](C)CCN(Cc1csc(-c2ccccn2)n1)Cc1ccc(F)cc1F ZINC000573167619 823458549 /nfs/dbraw/zinc/45/85/49/823458549.db2.gz QZOOQACEBMHWPL-UHFFFAOYSA-N 1 0 388.487 4.047 20 0 GIADRO CCOc1ccc(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)cc1OCC ZINC000058820451 823458811 /nfs/dbraw/zinc/45/88/11/823458811.db2.gz LODVDCUMRVGZSW-UHFFFAOYSA-N 1 0 384.520 4.254 20 0 GIADRO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)NC(=O)CO2 ZINC000027033645 820183264 /nfs/dbraw/zinc/18/32/64/820183264.db2.gz SPVXIDRKENIFBN-HRCADAONSA-N 1 0 395.503 4.209 20 0 GIADRO FC(F)(F)C1CCC([NH2+]C[C@H](c2ccc(Cl)cc2)N2CCOCC2)CC1 ZINC000123082949 823459153 /nfs/dbraw/zinc/45/91/53/823459153.db2.gz LVMLEYOWAOSYHW-VMWRSERWSA-N 1 0 390.877 4.424 20 0 GIADRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1csc(Cc2ccc(F)cc2)n1 ZINC000177423450 823459164 /nfs/dbraw/zinc/45/91/64/823459164.db2.gz BNUTXFPPRPTDMK-UHFFFAOYSA-N 1 0 387.524 4.010 20 0 GIADRO COC1(C[NH2+]Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)CCOCC1 ZINC000123086867 823459823 /nfs/dbraw/zinc/45/98/23/823459823.db2.gz NLBKVHIOQVSHGA-UHFFFAOYSA-N 1 0 386.439 4.114 20 0 GIADRO CCc1cc[n+](C(C(=O)c2cc(C)c(C)c(C)c2C)C(=S)NC2CC2)cc1 ZINC000027061179 820187183 /nfs/dbraw/zinc/18/71/83/820187183.db2.gz SIPHFHWKIPTPIZ-UHFFFAOYSA-O 1 0 381.565 4.461 20 0 GIADRO Cc1cc[n+](C(C(=O)c2ccc(Cl)cc2Cl)C(=S)NC2CC2)cc1 ZINC000027062188 820187671 /nfs/dbraw/zinc/18/76/71/820187671.db2.gz BYDXDRRYSCCXBU-UHFFFAOYSA-O 1 0 380.320 4.280 20 0 GIADRO O[C@]1(C[NH2+]Cc2csc(-c3cccs3)n2)CCC[C@@H](C(F)(F)F)C1 ZINC000189618743 823460112 /nfs/dbraw/zinc/46/01/12/823460112.db2.gz OQTMNIUQVWFWFT-IAQYHMDHSA-N 1 0 376.469 4.445 20 0 GIADRO C[C@H](CCc1ccccc1)NC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000410312471 823460157 /nfs/dbraw/zinc/46/01/57/823460157.db2.gz RPNMGDMHSFKBJL-HXUWFJFHSA-N 1 0 379.548 4.014 20 0 GIADRO Cc1nc(CCC(=O)NC2CC[NH+](C3CCCC3)CC2)oc1-c1ccccc1 ZINC000177431121 823460601 /nfs/dbraw/zinc/46/06/01/823460601.db2.gz AVFBWAPLKVVIKU-UHFFFAOYSA-N 1 0 381.520 4.106 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC1(c2ccccc2)CCOCC1)CC3 ZINC000123090940 823460749 /nfs/dbraw/zinc/46/07/49/823460749.db2.gz YOBSXYJONMGFHP-IBGZPJMESA-N 1 0 390.527 4.372 20 0 GIADRO COc1cccc(CCC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)c1 ZINC000027133122 820198990 /nfs/dbraw/zinc/19/89/90/820198990.db2.gz KRBZBARARYENDL-UHFFFAOYSA-N 1 0 388.511 4.125 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000027139468 820200249 /nfs/dbraw/zinc/20/02/49/820200249.db2.gz MYJDOOMHFDKRHH-QHCPKHFHSA-N 1 0 394.515 4.483 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@@H](C)C(=O)N(C)C(C)C)ccc1OCc1ccccc1 ZINC000177432657 823460883 /nfs/dbraw/zinc/46/08/83/823460883.db2.gz XTEFHPXRDALFQE-ROUUACIJSA-N 1 0 384.520 4.180 20 0 GIADRO C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000027142096 820200665 /nfs/dbraw/zinc/20/06/65/820200665.db2.gz XYUPPBJTJOBKHI-GOSISDBHSA-N 1 0 389.499 4.126 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1ccc(C(F)(F)F)[nH]c1=O ZINC000027141715 820200751 /nfs/dbraw/zinc/20/07/51/820200751.db2.gz OMHIVOSWKJZHEB-UHFFFAOYSA-N 1 0 379.382 4.044 20 0 GIADRO COc1ccc(Br)c(C[NH2+]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)c1 ZINC000189622692 823461087 /nfs/dbraw/zinc/46/10/87/823461087.db2.gz PTPNDJBBUBGJEV-SWLSCSKDSA-N 1 0 396.247 4.031 20 0 GIADRO O=C(NC1CC[NH+](C2CCCC2)CC1)C1(c2ccc(Br)cc2)CC1 ZINC000177434753 823461320 /nfs/dbraw/zinc/46/13/20/823461320.db2.gz WSCRONOTMKZIGG-UHFFFAOYSA-N 1 0 391.353 4.004 20 0 GIADRO O=C(c1ccc2c(c1)CCO2)C(C(=S)Nc1ccc(F)cc1)[n+]1ccccc1 ZINC000027192613 820208447 /nfs/dbraw/zinc/20/84/47/820208447.db2.gz RQYXUEOIENQCMV-UHFFFAOYSA-O 1 0 393.463 4.099 20 0 GIADRO COc1cc(C[NH2+]C[C@@H]2Cc3ccccc3O2)ccc1OCc1cccs1 ZINC000027220342 820211390 /nfs/dbraw/zinc/21/13/90/820211390.db2.gz PNZBPEYYZJLEFH-SFHVURJKSA-N 1 0 381.497 4.429 20 0 GIADRO COc1cc(C[NH2+]C[C@H]2Cc3ccccc3O2)ccc1OCc1cccs1 ZINC000027220345 820211402 /nfs/dbraw/zinc/21/14/02/820211402.db2.gz PNZBPEYYZJLEFH-GOSISDBHSA-N 1 0 381.497 4.429 20 0 GIADRO COc1ccccc1[C@H](C[NH2+]Cc1ccccc1OCc1ccncc1)N(C)C ZINC000027217192 820211560 /nfs/dbraw/zinc/21/15/60/820211560.db2.gz GNKQLMHYHSNITO-QFIPXVFZSA-N 1 0 391.515 4.062 20 0 GIADRO O[C@]1(C[NH2+]Cc2c[nH]nc2-c2cccc(Cl)c2)CCC[C@H](C(F)(F)F)C1 ZINC000189625419 823461886 /nfs/dbraw/zinc/46/18/86/823461886.db2.gz IPAOIEARIMQJLC-WMLDXEAASA-N 1 0 387.833 4.303 20 0 GIADRO CCc1cccc[n+]1C(C(=O)c1cc(C)n(C)c1C)C(=S)NC1CCCCC1 ZINC000027329751 820225121 /nfs/dbraw/zinc/22/51/21/820225121.db2.gz ZDTLPNSECSKNFM-UHFFFAOYSA-O 1 0 398.596 4.353 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)NCC(C)(C)c2ccccc2)CC1 ZINC000410322375 823462670 /nfs/dbraw/zinc/46/26/70/823462670.db2.gz VMEKEZVCDHBVHF-UHFFFAOYSA-N 1 0 379.548 4.236 20 0 GIADRO C[C@@H](Sc1ccc(Br)cc1)C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000058856306 823462726 /nfs/dbraw/zinc/46/27/26/823462726.db2.gz XXDOIWBQDNYPLZ-LSDHHAIUSA-N 1 0 399.398 4.310 20 0 GIADRO Cc1cccc(Oc2ncccc2NC(=O)N2CCC3(CC[NH2+]CC3)CC2)c1C ZINC000573187191 823462842 /nfs/dbraw/zinc/46/28/42/823462842.db2.gz GKPAGDGOOWYCGV-UHFFFAOYSA-N 1 0 394.519 4.488 20 0 GIADRO COc1ccccc1-c1nc(C(=O)N(C)CC[N@H+](C)C2CCCCC2)cs1 ZINC000058879217 823465140 /nfs/dbraw/zinc/46/51/40/823465140.db2.gz ZBZFDXFYRIHRBC-UHFFFAOYSA-N 1 0 387.549 4.155 20 0 GIADRO Cc1ccc2c(C[NH2+]C3(c4ccc5c(c4)OCCO5)CCCC3)cc(=O)oc2c1 ZINC000123105845 823463016 /nfs/dbraw/zinc/46/30/16/823463016.db2.gz MVUFHNLGUAQBIZ-UHFFFAOYSA-N 1 0 391.467 4.432 20 0 GIADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2cc3ccc(F)cc3nc2C)CC1 ZINC000027389255 820237203 /nfs/dbraw/zinc/23/72/03/820237203.db2.gz COPGZRKSFUMRAY-UHFFFAOYSA-N 1 0 391.490 4.339 20 0 GIADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2cc(F)c(F)cc2Cl)CC1 ZINC000027391121 820237913 /nfs/dbraw/zinc/23/79/13/820237913.db2.gz XRDWWJHLHAUXBY-UHFFFAOYSA-N 1 0 378.850 4.275 20 0 GIADRO CC(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000460638038 823463506 /nfs/dbraw/zinc/46/35/06/823463506.db2.gz UJQQSTSBQYUPMS-QZTJIDSGSA-N 1 0 392.551 4.145 20 0 GIADRO CC(=O)c1c(C)cc(C)c(C[N@H+](C)Cc2ccccc2N2CCOCC2)c1C ZINC000027511563 820255351 /nfs/dbraw/zinc/25/53/51/820255351.db2.gz GMFOUCRLZYATDX-UHFFFAOYSA-N 1 0 380.532 4.283 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)CCCOc1cccc(C)c1)[NH+]1CCCC1 ZINC000027570718 820260329 /nfs/dbraw/zinc/26/03/29/820260329.db2.gz RMJXFDMLLILWRF-JOCHJYFZSA-N 1 0 396.531 4.116 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)c1cc(C)nc2ccccc21)[NH+]1CCCC1 ZINC000027570967 820260430 /nfs/dbraw/zinc/26/04/30/820260430.db2.gz PUUANQMDBSFNSN-QFIPXVFZSA-N 1 0 389.499 4.119 20 0 GIADRO CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000027573441 820261096 /nfs/dbraw/zinc/26/10/96/820261096.db2.gz LWBNIGMJPIQWFM-RBUKOAKNSA-N 1 0 393.531 4.488 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)CCc1nc2ccccc2[nH]1)c1ccccc1Cl ZINC000027579073 820262660 /nfs/dbraw/zinc/26/26/60/820262660.db2.gz BAGJJDWMCSRDSQ-HXUWFJFHSA-N 1 0 398.938 4.348 20 0 GIADRO CC(=O)c1ccc(-c2ccc(C(=O)NC[C@@H](Cc3ccccc3)[NH+](C)C)o2)cc1 ZINC000027582045 820263266 /nfs/dbraw/zinc/26/32/66/820263266.db2.gz ABDKOIAKVSSMNA-OAQYLSRUSA-N 1 0 390.483 4.052 20 0 GIADRO COc1ccc2oc(C)c(C(=O)N3CCC(C[NH+]4CCCCCC4)CC3)c2c1 ZINC000058880400 823465817 /nfs/dbraw/zinc/46/58/17/823465817.db2.gz FFBFLLBEYWZODF-UHFFFAOYSA-N 1 0 384.520 4.478 20 0 GIADRO Cc1noc2nc(C3CC3)cc(C(=O)NC[C@H](c3cccs3)[NH+]3CCCC3)c12 ZINC000027607423 820266922 /nfs/dbraw/zinc/26/69/22/820266922.db2.gz KJWZSRSVBCTJGE-QGZVFWFLSA-N 1 0 396.516 4.037 20 0 GIADRO Cc1nc(-c2c[nH]c(C(=O)NC[C@@H](c3cccs3)[NH+]3CCCC3)c2)cs1 ZINC000027606697 820267063 /nfs/dbraw/zinc/26/70/63/820267063.db2.gz LECOVFJORPRBKT-KRWDZBQOSA-N 1 0 386.546 4.075 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCCc2cccc(F)c2)C1 ZINC000410355215 823471669 /nfs/dbraw/zinc/47/16/69/823471669.db2.gz YUYAQRHQSZTWSZ-SFHVURJKSA-N 1 0 383.511 4.100 20 0 GIADRO O=C(/C=C/c1ccc(Br)o1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000058881964 823466066 /nfs/dbraw/zinc/46/60/66/823466066.db2.gz BIWXTLCNRMRGGG-SOFGYWHQSA-N 1 0 395.341 4.170 20 0 GIADRO COc1ccc([C@@H](CNC(=O)[C@@H](C)Oc2cccc(C)c2)[NH+]2CCCCC2)cc1 ZINC000027667254 820272858 /nfs/dbraw/zinc/27/28/58/820272858.db2.gz VRAAGCGEQBUBMV-AUSIDOKSSA-N 1 0 396.531 4.114 20 0 GIADRO Cc1cc(OCCCC(=O)NC[C@H](c2cccs2)[NH+](C)C)ccc1Cl ZINC000027676198 820273585 /nfs/dbraw/zinc/27/35/85/820273585.db2.gz YMFGUIUQVFQFDF-QGZVFWFLSA-N 1 0 380.941 4.288 20 0 GIADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2cccnc2Nc2ccccc2F)C1 ZINC000058883247 823466584 /nfs/dbraw/zinc/46/65/84/823466584.db2.gz YSZFDMKRMOUQIJ-KSZLIROESA-N 1 0 396.510 4.442 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(F)c(NC(C)=O)c1)c1ccsc1 ZINC000058889220 823466812 /nfs/dbraw/zinc/46/68/12/823466812.db2.gz MTOCZKXUAMRHGA-SFHVURJKSA-N 1 0 392.500 4.050 20 0 GIADRO COCc1ccccc1CNC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000410339222 823466838 /nfs/dbraw/zinc/46/68/38/823466838.db2.gz XNCXXCIKKRPRFA-IBGZPJMESA-N 1 0 395.547 4.207 20 0 GIADRO CCCOc1ccc([C@@H](C)[NH2+][C@H]2CCCN(CC(C)(C)C)C2=O)cc1OC ZINC000460653032 823467570 /nfs/dbraw/zinc/46/75/70/823467570.db2.gz YHCQSPVJTNTKHP-AEFFLSMTSA-N 1 0 376.541 4.172 20 0 GIADRO COc1cccc([C@@H](CNC(=O)Nc2ccc(OC3CCCC3)cc2)[NH+](C)C)c1 ZINC000058895580 823467559 /nfs/dbraw/zinc/46/75/59/823467559.db2.gz WWXGZLFEWFYBGF-JOCHJYFZSA-N 1 0 397.519 4.441 20 0 GIADRO CCCOc1ccc([C@H](C)[NH2+][C@H]2CCCN(CC(C)(C)C)C2=O)cc1OC ZINC000460653462 823467889 /nfs/dbraw/zinc/46/78/89/823467889.db2.gz YHCQSPVJTNTKHP-WMZOPIPTSA-N 1 0 376.541 4.172 20 0 GIADRO Cc1c2cccc(F)c2oc1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000027930369 820298113 /nfs/dbraw/zinc/29/81/13/820298113.db2.gz FMUCUJNTSZQYNB-UHFFFAOYSA-N 1 0 380.463 4.317 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)NC[C@@H]2CCCc3ccccc32)CC1 ZINC000410342294 823468110 /nfs/dbraw/zinc/46/81/10/823468110.db2.gz GRPDFXXFHRMNHL-NRFANRHFSA-N 1 0 391.559 4.379 20 0 GIADRO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1cc(Cl)c2c(c1)OCCCO2 ZINC000028170636 820315266 /nfs/dbraw/zinc/31/52/66/820315266.db2.gz NKJXFMBIAGZXRR-UHFFFAOYSA-N 1 0 386.879 4.349 20 0 GIADRO CC[C@H](C(=O)NCc1ccccc1CN1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1 ZINC000460659760 823469364 /nfs/dbraw/zinc/46/93/64/823469364.db2.gz YEVQXZIFLARZIG-IXFSTUDKSA-N 1 0 398.522 4.245 20 0 GIADRO COc1cccc([C@H]2[C@@H](NC(=O)Nc3cc(C4CC4)ccn3)CC[N@@H+]2C2CC2)c1 ZINC000573255969 823471519 /nfs/dbraw/zinc/47/15/19/823471519.db2.gz SQCMJSDXANPNRF-UNMCSNQZSA-N 1 0 392.503 4.067 20 0 GIADRO CC[N@H+](CC(=O)Nc1ccc(N2CCCC2)cc1)[C@H](C)c1cccc(OC)c1 ZINC000058913663 823469767 /nfs/dbraw/zinc/46/97/67/823469767.db2.gz UHMAECUUFIPNHE-GOSISDBHSA-N 1 0 381.520 4.317 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)c1 ZINC000028337030 820326268 /nfs/dbraw/zinc/32/62/68/820326268.db2.gz AHWKRZMYBINLBE-OLZOCXBDSA-N 1 0 393.409 4.342 20 0 GIADRO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1F ZINC000028350310 820328090 /nfs/dbraw/zinc/32/80/90/820328090.db2.gz OOHLQZVZSRNCIY-GJZGRUSLSA-N 1 0 383.467 4.160 20 0 GIADRO Cc1noc(C)c1CSc1ccccc1C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000058919077 823470243 /nfs/dbraw/zinc/47/02/43/823470243.db2.gz SMAYJSMKZSXDCH-SFHVURJKSA-N 1 0 399.560 4.284 20 0 GIADRO CC[C@H](CNC(=O)N(CC)Cc1cccc(F)c1)[N@@H+]1CCc2ccccc2C1 ZINC000028391793 820332430 /nfs/dbraw/zinc/33/24/30/820332430.db2.gz FQRUEMUJEKRNAT-JOCHJYFZSA-N 1 0 383.511 4.194 20 0 GIADRO O=C(CCOc1cccc(Cl)c1Cl)N1CCC([NH+]2CCCCC2)CC1 ZINC000058935626 823472808 /nfs/dbraw/zinc/47/28/08/823472808.db2.gz QVCROKIOGIFBFG-UHFFFAOYSA-N 1 0 385.335 4.239 20 0 GIADRO [NH3+][C@H](CCC(=O)N1CC=C(c2c[nH]c3cc(F)ccc32)CC1)c1ccccc1 ZINC000573262519 823472812 /nfs/dbraw/zinc/47/28/12/823472812.db2.gz HYGKKJAYNZCQSJ-OAQYLSRUSA-N 1 0 377.463 4.403 20 0 GIADRO C[N@H+](CCOc1ccccc1)CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000028845587 820363065 /nfs/dbraw/zinc/36/30/65/820363065.db2.gz TVJDMFWOXSALSF-QHCPKHFHSA-N 1 0 394.540 4.355 20 0 GIADRO CCOC(=O)[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000028851986 820363599 /nfs/dbraw/zinc/36/35/99/820363599.db2.gz CJAQCEJMZYYPQO-SFHVURJKSA-N 1 0 396.487 4.083 20 0 GIADRO COc1cccc(C[NH2+]C[C@@H](O)CO[C@@H](c2ccccc2)c2ccc(C)cc2)c1 ZINC000573271128 823473660 /nfs/dbraw/zinc/47/36/60/823473660.db2.gz YSYDZPOSIYJCFU-NOZRDPDXSA-N 1 0 391.511 4.260 20 0 GIADRO Cc1c([C@@H](C)[NH2+]CCc2nc3c(cccc3C)o2)nnn1-c1ccc(F)cc1 ZINC000410359746 823473687 /nfs/dbraw/zinc/47/36/87/823473687.db2.gz OKTCEJKCDDQCIR-CQSZACIVSA-N 1 0 379.439 4.058 20 0 GIADRO O=C(CC[NH+]1CCN(Cc2ccsc2)CC1)Nc1cccc2ccccc21 ZINC000028890204 820367526 /nfs/dbraw/zinc/36/75/26/820367526.db2.gz HUUPMBZLASWJLZ-UHFFFAOYSA-N 1 0 379.529 4.048 20 0 GIADRO COc1ccc(OCC[N@H+](C)CCC(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000028897249 820369247 /nfs/dbraw/zinc/36/92/47/820369247.db2.gz VSULOEHUOPWBPL-UHFFFAOYSA-N 1 0 397.302 4.341 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)CC[N@H+](C)CCOc1ccccc1Cl ZINC000028901686 820369989 /nfs/dbraw/zinc/36/99/89/820369989.db2.gz JLLYAWMRAOKXBJ-UHFFFAOYSA-N 1 0 397.302 4.341 20 0 GIADRO COCc1cccc(NC(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000410360417 823474190 /nfs/dbraw/zinc/47/41/90/823474190.db2.gz QQUJLWAFWWMWLV-SFHVURJKSA-N 1 0 381.520 4.387 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@@H](O)COc2ccc(C(C)(C)C)cc2)c1 ZINC000028917977 820372264 /nfs/dbraw/zinc/37/22/64/820372264.db2.gz GBSHMYWDINXMDE-IIBYNOLFSA-N 1 0 384.520 4.033 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)c1 ZINC000028917891 820372291 /nfs/dbraw/zinc/37/22/91/820372291.db2.gz DZAOGIGMVIVENF-SJKOYZFVSA-N 1 0 397.302 4.042 20 0 GIADRO COCCOc1ccc([C@@H](C)[NH2+]CCc2nc3c(cccc3C)o2)cc1OC ZINC000410364179 823475271 /nfs/dbraw/zinc/47/52/71/823475271.db2.gz YINMWWXVODRIJB-MRXNPFEDSA-N 1 0 384.476 4.063 20 0 GIADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)Nc2ccc(O)cc2C)CC1 ZINC000189684284 823475272 /nfs/dbraw/zinc/47/52/72/823475272.db2.gz FFQREOYYQHXZGK-UHFFFAOYSA-N 1 0 388.899 4.140 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N(C)Cc2ccccc2F)C1 ZINC000410364182 823475289 /nfs/dbraw/zinc/47/52/89/823475289.db2.gz YIWYJQDDBIXOFB-SFHVURJKSA-N 1 0 383.511 4.399 20 0 GIADRO O=C(NC1CC[NH+](C2CC2)CC1)c1cc2sc(Nc3ccccc3)nc2s1 ZINC000029094037 820391773 /nfs/dbraw/zinc/39/17/73/820391773.db2.gz MPCQVIJSXADDFV-UHFFFAOYSA-N 1 0 398.557 4.458 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCn2cccc2[C@@H]1C ZINC000410365369 823475776 /nfs/dbraw/zinc/47/57/76/823475776.db2.gz JTLYCQUBAVUWSC-OALUTQOASA-N 1 0 380.536 4.149 20 0 GIADRO CCOc1ccc(NC(=O)NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)cc1 ZINC000410365116 823475877 /nfs/dbraw/zinc/47/58/77/823475877.db2.gz JXQUNTYNCWTOTC-QZTJIDSGSA-N 1 0 397.519 4.016 20 0 GIADRO Cc1cc(C(=O)CCC(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)c(C)s1 ZINC000029161432 820402922 /nfs/dbraw/zinc/40/29/22/820402922.db2.gz UFBDWIZUIMHWIL-UHFFFAOYSA-N 1 0 398.572 4.281 20 0 GIADRO C[N@H+](CCCNC(=O)c1ccc(NC(=O)c2ccccc2)cc1)C1CCCCC1 ZINC000029177268 820405415 /nfs/dbraw/zinc/40/54/15/820405415.db2.gz NYQAMOGZCRZXDH-UHFFFAOYSA-N 1 0 393.531 4.323 20 0 GIADRO C[N@H+](CCCNC(=O)c1ccccc1NC(=O)c1ccccc1)C1CCCCC1 ZINC000029177241 820405554 /nfs/dbraw/zinc/40/55/54/820405554.db2.gz WRAJPXODOXXXLD-UHFFFAOYSA-N 1 0 393.531 4.323 20 0 GIADRO CCOc1ccc(C(=O)CCC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000029177660 820406318 /nfs/dbraw/zinc/40/63/18/820406318.db2.gz KMPDWDSTDXNTOV-JOCHJYFZSA-N 1 0 394.515 4.002 20 0 GIADRO Cc1c(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000029178800 820407066 /nfs/dbraw/zinc/40/70/66/820407066.db2.gz OLGRYFYMNZYTLK-LJQANCHMSA-N 1 0 393.531 4.045 20 0 GIADRO C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(OCC2CCCC2)CC1)c1ccc(F)cc1 ZINC000177496702 823476456 /nfs/dbraw/zinc/47/64/56/823476456.db2.gz JUNDFAYMCATDHU-SJORKVTESA-N 1 0 376.516 4.063 20 0 GIADRO O=C(CCc1ccc(OC(F)F)cc1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000029179805 820407913 /nfs/dbraw/zinc/40/79/13/820407913.db2.gz VIQZKTKYSPXFDI-HXUWFJFHSA-N 1 0 388.458 4.174 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)CCC(=O)c1ccc2c(c1)CCCC2 ZINC000058965159 823476785 /nfs/dbraw/zinc/47/67/85/823476785.db2.gz LOPDPWWJRYAKEV-LJQANCHMSA-N 1 0 384.564 4.299 20 0 GIADRO CCCOc1c(Cl)cc(C(=O)Nc2ccc(C[NH+](C)C)cc2)cc1OC ZINC000029279067 820426265 /nfs/dbraw/zinc/42/62/65/820426265.db2.gz JKSVPBYJCLTDMY-UHFFFAOYSA-N 1 0 376.884 4.451 20 0 GIADRO CC(C)c1oc([C@H]2CCCN2C(=O)NCC2=CC[NH2+]CC2)nc1-c1ccccc1 ZINC000573309195 823478981 /nfs/dbraw/zinc/47/89/81/823478981.db2.gz RIWWQOFCRSCQBF-LJQANCHMSA-N 1 0 394.519 4.231 20 0 GIADRO COc1ccc(CNC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)cc1F ZINC000410373659 823479205 /nfs/dbraw/zinc/47/92/05/823479205.db2.gz KXMVHSAAGTUMHS-KRWDZBQOSA-N 1 0 399.510 4.208 20 0 GIADRO C[C@H](c1ccccc1)N(C)C(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000410372932 823479361 /nfs/dbraw/zinc/47/93/61/823479361.db2.gz WLPICPOKXXSBQK-VAMGGRTRSA-N 1 0 395.547 4.198 20 0 GIADRO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccccc2CC(F)(F)F)[C@@H]1c1ccccc1 ZINC000189702144 823479420 /nfs/dbraw/zinc/47/94/20/823479420.db2.gz WQDMKOCIWMMOKT-MSOLQXFVSA-N 1 0 377.410 4.358 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N(C)CCOc2ccccc2)C1 ZINC000410374370 823479736 /nfs/dbraw/zinc/47/97/36/823479736.db2.gz NDNOFCWVRLEIEY-HXUWFJFHSA-N 1 0 395.547 4.139 20 0 GIADRO C[C@@H]1C[N@@H+](CCC2CCN(Cc3ncc(-c4ccccc4)o3)CC2)C[C@H](C)O1 ZINC000177512305 823479940 /nfs/dbraw/zinc/47/99/40/823479940.db2.gz TZBCJDBBXMIKPM-KDURUIRLSA-N 1 0 383.536 4.053 20 0 GIADRO C[NH2+]C1CCN(Cc2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)CC1 ZINC000573323759 823480081 /nfs/dbraw/zinc/48/00/81/823480081.db2.gz XRFNBVBEEZOWCF-UHFFFAOYSA-N 1 0 394.950 4.436 20 0 GIADRO C[NH+](C)CCOc1ccc(CNC(=O)N[C@@H](c2ccccc2)C(C)(C)C)cc1 ZINC000410378322 823481071 /nfs/dbraw/zinc/48/10/71/823481071.db2.gz BPBTYMRRZKTJBS-NRFANRHFSA-N 1 0 383.536 4.214 20 0 GIADRO Cc1ccc2c(CCC(=O)N[C@H]3CC[C@H](Nc4ccccn4)CC3)c[nH]c2c1 ZINC000573334104 823481176 /nfs/dbraw/zinc/48/11/76/823481176.db2.gz WSOYOGCVBQXLDT-WGSAOQKQSA-N 1 0 376.504 4.343 20 0 GIADRO CC(C)C[NH+]1CCC(NC(=O)NCc2cccc(OCc3ccccc3)c2)CC1 ZINC000410379505 823481258 /nfs/dbraw/zinc/48/12/58/823481258.db2.gz GIPHMYVRTVBQLD-UHFFFAOYSA-N 1 0 395.547 4.185 20 0 GIADRO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N(C)Cc2ccc(SC)cc2)cc1 ZINC000029597653 820481923 /nfs/dbraw/zinc/48/19/23/820481923.db2.gz BYHPNRIYJMSZKN-NRFANRHFSA-N 1 0 384.545 4.213 20 0 GIADRO O=C(N[C@@H](c1cc2ccccc2o1)c1ccccc1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000573344686 823482220 /nfs/dbraw/zinc/48/22/20/823482220.db2.gz SUTZAGKSMNODBW-VLVHOKLOSA-N 1 0 389.499 4.210 20 0 GIADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)N[C@H](c2ccsc2)c2ccc(Cl)cc2)C1 ZINC000573345425 823482287 /nfs/dbraw/zinc/48/22/87/823482287.db2.gz WOCSQSYPMXGIGB-VHSSKADRSA-N 1 0 377.941 4.308 20 0 GIADRO C[C@H]1CCc2c(C(=O)N(C)C3CC[NH+](Cc4ccncc4)CC3)csc2C1 ZINC000059010179 823482687 /nfs/dbraw/zinc/48/26/87/823482687.db2.gz WFMWORCLCJBXRM-INIZCTEOSA-N 1 0 383.561 4.005 20 0 GIADRO COc1ccccc1CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000029655167 820494447 /nfs/dbraw/zinc/49/44/47/820494447.db2.gz BYZASOFPUQZTTQ-SFHVURJKSA-N 1 0 387.549 4.029 20 0 GIADRO C[C@H]1CCc2[nH]c3ccc(C(=O)NC[C@H](c4cccs4)[NH+](C)C)cc3c2C1 ZINC000029694527 820498606 /nfs/dbraw/zinc/49/86/06/820498606.db2.gz KGXCEARLTZFZHG-VBKZILBWSA-N 1 0 381.545 4.387 20 0 GIADRO CC(C)Oc1ccc(CNC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000059037929 823484197 /nfs/dbraw/zinc/48/41/97/823484197.db2.gz FHRFAOFWROPGQV-LJQANCHMSA-N 1 0 387.549 4.172 20 0 GIADRO CC(C)c1ccc(C[N@H+](C)Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)cc1 ZINC000029715169 820504675 /nfs/dbraw/zinc/50/46/75/820504675.db2.gz SKWZBOBNOPZXMA-FQEVSTJZSA-N 1 0 384.483 4.479 20 0 GIADRO O=C(NC1CC1)c1ccc(C[N@@H+](Cc2ccc(F)c3cccnc23)C2CC2)cc1 ZINC000029718487 820505761 /nfs/dbraw/zinc/50/57/61/820505761.db2.gz IPHRBFFFIWRGJS-UHFFFAOYSA-N 1 0 389.474 4.431 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCn4cccc4[C@@H]3C)cc2)C1 ZINC000410393256 823484883 /nfs/dbraw/zinc/48/48/83/823484883.db2.gz OXXIVANAUZDPDH-MOPGFXCFSA-N 1 0 380.536 4.006 20 0 GIADRO O=C(Nc1ccc(OCC(F)(F)F)c(Cl)c1)C1CC[NH+](C2CC2)CC1 ZINC000410395829 823485493 /nfs/dbraw/zinc/48/54/93/823485493.db2.gz AKWVASAMWLWYRB-UHFFFAOYSA-N 1 0 376.806 4.094 20 0 GIADRO CCCn1c(C)c(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c2cc(OC)ccc21 ZINC000029788214 820519122 /nfs/dbraw/zinc/51/91/22/820519122.db2.gz DVCIMIURNQRJAQ-UHFFFAOYSA-N 1 0 385.552 4.407 20 0 GIADRO CC(C)[C@H](CNC(=O)c1ccc(OCc2ccccn2)cc1)[NH+]1CCC(C)CC1 ZINC000460699312 823485782 /nfs/dbraw/zinc/48/57/82/823485782.db2.gz GYEVXTNMXSXCTI-QHCPKHFHSA-N 1 0 395.547 4.147 20 0 GIADRO C[NH+](C)CCOc1ccc(CNC(=O)Nc2cccc(OC3CCCC3)c2)cc1 ZINC000410396014 823485902 /nfs/dbraw/zinc/48/59/02/823485902.db2.gz SUYUXPIEIZLSMH-UHFFFAOYSA-N 1 0 397.519 4.270 20 0 GIADRO Cc1n[nH]c(C)c1[C@@H](C)C(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000573373892 823486063 /nfs/dbraw/zinc/48/60/63/823486063.db2.gz NMKPKGLVOHZBLI-OAHLLOKOSA-N 1 0 386.565 4.347 20 0 GIADRO C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+](C)CCCOc1ccccc1 ZINC000029854247 820532810 /nfs/dbraw/zinc/53/28/10/820532810.db2.gz GLTRLEJNVQHWOP-HNNXBMFYSA-N 1 0 380.410 4.433 20 0 GIADRO C[C@@](O)(C[NH+]1CCC(OCc2ccc(Cl)c(Cl)c2)CC1)C(F)(F)F ZINC000410408840 823489704 /nfs/dbraw/zinc/48/97/04/823489704.db2.gz BKLFALHEJVQWKZ-OAHLLOKOSA-N 1 0 386.241 4.288 20 0 GIADRO COc1ccccc1NC(=O)C1CC[NH+](CCOc2cc(C)cc(C)c2)CC1 ZINC000029906005 820545505 /nfs/dbraw/zinc/54/55/05/820545505.db2.gz YBNPKBQMEIITPC-UHFFFAOYSA-N 1 0 382.504 4.042 20 0 GIADRO COc1ccccc1NC(=O)C1CC[NH+](Cc2cc(F)cc3cccnc32)CC1 ZINC000029911627 820546854 /nfs/dbraw/zinc/54/68/54/820546854.db2.gz OKKOCULEMCHYAS-UHFFFAOYSA-N 1 0 393.462 4.233 20 0 GIADRO Cc1cccc(OCC[NH+]2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)c1 ZINC000059258613 823487705 /nfs/dbraw/zinc/48/77/05/823487705.db2.gz GNCOCBLGIDLMHS-UHFFFAOYSA-N 1 0 388.895 4.084 20 0 GIADRO Cc1nc2ccccc2nc1NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000030001560 820565830 /nfs/dbraw/zinc/56/58/30/820565830.db2.gz JZDYFWYDYVEDEK-IRXDYDNUSA-N 1 0 376.504 4.160 20 0 GIADRO Cc1cc(O[C@H](C)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)ccc1C(C)C ZINC000059274490 823488974 /nfs/dbraw/zinc/48/89/74/823488974.db2.gz MSMVFLCWRPLPIK-LJQANCHMSA-N 1 0 395.547 4.276 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1cc(-c2cccc(Cl)c2)on1)c1cccs1 ZINC000030016223 820569444 /nfs/dbraw/zinc/56/94/44/820569444.db2.gz FATUCMIYWQUOQZ-OAHLLOKOSA-N 1 0 375.881 4.089 20 0 GIADRO Cc1ccc2c(CN3CCC[N@H+](Cc4ccccc4C)CC3)cc(=O)oc2c1 ZINC000030153825 820580444 /nfs/dbraw/zinc/58/04/44/820580444.db2.gz ZZTTZHAZCGUJHM-UHFFFAOYSA-N 1 0 376.500 4.118 20 0 GIADRO CSc1ccccc1NC(=O)CC[N@H+](C)Cc1ccc(Br)o1 ZINC000030217438 820588243 /nfs/dbraw/zinc/58/82/43/820588243.db2.gz LVSPCSXVIGFUAG-UHFFFAOYSA-N 1 0 383.311 4.225 20 0 GIADRO CC(C)CC(=O)Nc1ccc(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)cc1F ZINC000460724164 823495432 /nfs/dbraw/zinc/49/54/32/823495432.db2.gz MOBJRMIRTJSVOV-HXUWFJFHSA-N 1 0 391.531 4.051 20 0 GIADRO C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@H+](C)CCCOc1ccc(F)cc1 ZINC000030268467 820592607 /nfs/dbraw/zinc/59/26/07/820592607.db2.gz HXHJAILCZWBECT-CQSZACIVSA-N 1 0 396.409 4.155 20 0 GIADRO CCC[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(C(=O)Nc2ccc(OCC)cc2)cc1 ZINC000030269615 820593203 /nfs/dbraw/zinc/59/32/03/820593203.db2.gz YWVUQSCWPBGAFV-QGZVFWFLSA-N 1 0 397.519 4.397 20 0 GIADRO CC[C@@H](c1ccc(F)cc1)[N@H+](CC)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000123310380 823494671 /nfs/dbraw/zinc/49/46/71/823494671.db2.gz ZHABLKWELLSNRK-QFIPXVFZSA-N 1 0 399.510 4.074 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](c1ccccc1)C(C)(C)CO)c1ccc(Br)cn1 ZINC000573418823 823491272 /nfs/dbraw/zinc/49/12/72/823491272.db2.gz RVPPFKGVHZESEO-PBHICJAKSA-N 1 0 377.326 4.297 20 0 GIADRO COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]CCCc2c[nH]nc2C)c1 ZINC000177560615 823491438 /nfs/dbraw/zinc/49/14/38/823491438.db2.gz UOFPJPTYASEJIE-UHFFFAOYSA-N 1 0 381.524 4.068 20 0 GIADRO Cn1nccc1C[NH2+][C@@](C)(Cc1cccc(Br)c1)c1ccccc1 ZINC000177561169 823491456 /nfs/dbraw/zinc/49/14/56/823491456.db2.gz UZSOWQVQQGFOKB-FQEVSTJZSA-N 1 0 384.321 4.430 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(Cl)cn2)ccc1OC(C)C ZINC000030492576 820623236 /nfs/dbraw/zinc/62/32/36/820623236.db2.gz IMULYWXSDCVXKX-ZIAGYGMSSA-N 1 0 391.899 4.209 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(F)c(F)c2)ccc1OC(C)C ZINC000030492705 820623254 /nfs/dbraw/zinc/62/32/54/820623254.db2.gz CDVILOXJPSDZAP-UONOGXRCSA-N 1 0 392.446 4.438 20 0 GIADRO C[C@@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)c1cccc(-n2cccn2)c1 ZINC000177562145 823491798 /nfs/dbraw/zinc/49/17/98/823491798.db2.gz DLEIQKFIKQISRP-GOSISDBHSA-N 1 0 395.551 4.030 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2C)cc1Br ZINC000030509784 820627250 /nfs/dbraw/zinc/62/72/50/820627250.db2.gz UAWGEHJEJXKRTQ-ZIAGYGMSSA-N 1 0 391.309 4.444 20 0 GIADRO O=C(CCC(=O)c1ccc(Cl)cc1)NCc1ccccc1C[NH+]1CCCC1 ZINC000030555790 820639710 /nfs/dbraw/zinc/63/97/10/820639710.db2.gz JZQOYOYNLUKIKY-UHFFFAOYSA-N 1 0 384.907 4.215 20 0 GIADRO COCc1ccccc1C[NH2+]Cc1ccc(OC)c(OCc2cccnc2)c1 ZINC000030630634 820653394 /nfs/dbraw/zinc/65/33/94/820653394.db2.gz FUDMKHMGTWMIMN-UHFFFAOYSA-N 1 0 378.472 4.105 20 0 GIADRO Cc1c(C[NH2+]CCCN2CCc3ccccc3C2)sc2nc(C)nc(C)c12 ZINC000030630982 820653584 /nfs/dbraw/zinc/65/35/84/820653584.db2.gz WNOLCPCXLPBVTC-UHFFFAOYSA-N 1 0 380.561 4.155 20 0 GIADRO COc1ccc2ccccc2c1CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000123319022 823495587 /nfs/dbraw/zinc/49/55/87/823495587.db2.gz GRUCOGVWCZBZLM-GCJKJVERSA-N 1 0 393.531 4.007 20 0 GIADRO Cc1nn(C)c(C)c1C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000030635850 820654761 /nfs/dbraw/zinc/65/47/61/820654761.db2.gz PFCYKVQXVVRWCN-UHFFFAOYSA-N 1 0 385.515 4.239 20 0 GIADRO Clc1ccc(-c2ccc(C[NH2+]CCc3nnc4n3CCC4)o2)cc1Cl ZINC000030657394 820659906 /nfs/dbraw/zinc/65/99/06/820659906.db2.gz RHGCBVDOJDXDTN-UHFFFAOYSA-N 1 0 377.275 4.123 20 0 GIADRO CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+](Cc2ccccc2)C2CCCCC2)cc1 ZINC000059423136 823496147 /nfs/dbraw/zinc/49/61/47/823496147.db2.gz UUYBATSSVGZUGW-QHCPKHFHSA-N 1 0 396.531 4.220 20 0 GIADRO CC(C)[NH+](CCNC(=O)c1ccccc1SCc1cscn1)C(C)C ZINC000030710751 820669066 /nfs/dbraw/zinc/66/90/66/820669066.db2.gz VFZFYMNNLFJCPV-UHFFFAOYSA-N 1 0 377.579 4.284 20 0 GIADRO C[C@@H](C(=O)Nc1cccc2ccccc21)[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000177589217 823497265 /nfs/dbraw/zinc/49/72/65/823497265.db2.gz HXEDCDNZMDSEKM-GHTZIAJQSA-N 1 0 396.531 4.217 20 0 GIADRO Cc1cccc2nc(C3CC[NH+](Cc4cccc(C(=O)N(C)C)c4)CC3)oc21 ZINC000189803493 823497394 /nfs/dbraw/zinc/49/73/94/823497394.db2.gz ZKJCVOGVDVTHKW-UHFFFAOYSA-N 1 0 377.488 4.218 20 0 GIADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)c2cccc3ccccc32)[C@H](C)C1 ZINC000410480490 823498531 /nfs/dbraw/zinc/49/85/31/823498531.db2.gz ARRMETJLQRGEQB-XXBNENTESA-N 1 0 396.575 4.371 20 0 GIADRO O=C(COc1ccccc1C[NH2+]CCc1cccc2ccccc21)N1CCCC1 ZINC000030913815 820707597 /nfs/dbraw/zinc/70/75/97/820707597.db2.gz SHQSIZVIHUJMBS-UHFFFAOYSA-N 1 0 388.511 4.173 20 0 GIADRO COc1cc(C[NH2+][C@H](C)c2cnn(C)c2C)cc(OC)c1OCc1ccccc1 ZINC000030909634 820707626 /nfs/dbraw/zinc/70/76/26/820707626.db2.gz WMJZXEFXZFEXDF-MRXNPFEDSA-N 1 0 395.503 4.176 20 0 GIADRO CC(C)[N@H+](C)CCCNC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1 ZINC000460734645 823499343 /nfs/dbraw/zinc/49/93/43/823499343.db2.gz KJEJHTWFXVIWMM-UHFFFAOYSA-N 1 0 397.306 4.036 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)CCC(=O)c2cc(C)ccc2C)CC1 ZINC000030999037 820719488 /nfs/dbraw/zinc/71/94/88/820719488.db2.gz KKNUTFUGZIZFSN-UHFFFAOYSA-N 1 0 393.531 4.047 20 0 GIADRO COc1cccc([C@@H](C)CC(=O)NCC2CC[NH+](Cc3cccs3)CC2)c1 ZINC000177627755 823503906 /nfs/dbraw/zinc/50/39/06/823503906.db2.gz HXDJCQKXWYATFJ-KRWDZBQOSA-N 1 0 386.561 4.279 20 0 GIADRO O=S(=O)(NCc1ccccc1C[NH+]1CCCC1)c1c(Cl)cccc1Cl ZINC000031075377 820734911 /nfs/dbraw/zinc/73/49/11/820734911.db2.gz FBVKXYFVOAWGRE-UHFFFAOYSA-N 1 0 399.343 4.068 20 0 GIADRO Cc1cccc(C)c1NC(=O)C[NH2+][C@@H](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000123388162 823504270 /nfs/dbraw/zinc/50/42/70/823504270.db2.gz COWXDOYTSLSOSH-ROUUACIJSA-N 1 0 389.540 4.010 20 0 GIADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2(c3cccc(Br)c3)CC2)C1 ZINC000059990998 823504358 /nfs/dbraw/zinc/50/43/58/823504358.db2.gz YXXAQWNWNTUCER-HNNXBMFYSA-N 1 0 393.369 4.107 20 0 GIADRO O=C(NCCc1ccc2ccccc2c1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000031101844 820742455 /nfs/dbraw/zinc/74/24/55/820742455.db2.gz XHFVWOGQPUICTM-NRFANRHFSA-N 1 0 377.488 4.112 20 0 GIADRO C[C@@H]1C[C@@H](N(C)Cc2coc(-c3ccc(Br)cc3)n2)CC[N@@H+]1C ZINC000123392884 823504947 /nfs/dbraw/zinc/50/49/47/823504947.db2.gz VISZRXVLMUBBJR-DYVFJYSZSA-N 1 0 378.314 4.019 20 0 GIADRO Cc1cc(OCc2ccccc2)c(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)s1 ZINC000410588516 823505459 /nfs/dbraw/zinc/50/54/59/823505459.db2.gz JQIUCAHCDBEAIA-RBUKOAKNSA-N 1 0 384.545 4.192 20 0 GIADRO COc1cc(C[NH2+]CC[C@](C)(O)c2ccccc2)ccc1OCc1ccncc1 ZINC000189847988 823505547 /nfs/dbraw/zinc/50/55/47/823505547.db2.gz NYBVZHNYLVVQPH-DEOSSOPVSA-N 1 0 392.499 4.057 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)NCc1nc2ccccc2s1)c1ccsc1 ZINC000031194276 820765890 /nfs/dbraw/zinc/76/58/90/820765890.db2.gz FZKHZUHRPCLEEZ-INIZCTEOSA-N 1 0 388.562 4.240 20 0 GIADRO CC1CC[NH+](Cc2ccc(CNC(=O)c3ccc(-n4ccnc4)cc3)cc2)CC1 ZINC000031202133 820768380 /nfs/dbraw/zinc/76/83/80/820768380.db2.gz FIIZVVCDQQTQOH-UHFFFAOYSA-N 1 0 388.515 4.034 20 0 GIADRO CC(C)C[NH+]1CCC(NC(=O)C(C)(C)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000189817717 823501296 /nfs/dbraw/zinc/50/12/96/823501296.db2.gz NPRPBKXYEKAPMG-UHFFFAOYSA-N 1 0 386.458 4.099 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)NNc2ccc(Br)cc2)cc1 ZINC000059878008 823501325 /nfs/dbraw/zinc/50/13/25/823501325.db2.gz SWAWFNOIAZJIKF-UHFFFAOYSA-N 1 0 376.298 4.048 20 0 GIADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc(Cl)c3cc(Cl)ccc3n2)C1 ZINC000410594124 823505795 /nfs/dbraw/zinc/50/57/95/823505795.db2.gz SZCICPYCZWDBNL-XIKOKIGWSA-N 1 0 378.303 4.098 20 0 GIADRO C[NH+](C)Cc1ccccc1NC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000031232250 820775127 /nfs/dbraw/zinc/77/51/27/820775127.db2.gz BEVKAWCUDKDCPP-UHFFFAOYSA-N 1 0 383.492 4.025 20 0 GIADRO CCOc1ccc([C@@H](C)NC(=O)c2ccc(C[NH+](CC)CC)cc2)cc1OC ZINC000031288765 820786447 /nfs/dbraw/zinc/78/64/47/820786447.db2.gz VXOUIVSLHNWELL-QGZVFWFLSA-N 1 0 384.520 4.427 20 0 GIADRO FC(F)(F)COc1ccccc1C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000177618919 823502503 /nfs/dbraw/zinc/50/25/03/823502503.db2.gz ZEVWLVPKNDRNPD-SFHVURJKSA-N 1 0 387.442 4.178 20 0 GIADRO CC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)c1C(C)C ZINC000123370197 823502567 /nfs/dbraw/zinc/50/25/67/823502567.db2.gz FBHBQUCSYLZFDQ-IBGZPJMESA-N 1 0 381.520 4.216 20 0 GIADRO Cc1ccc(OCc2nc(C[NH2+]CC[C@@](C)(O)c3ccccc3)cs2)cc1 ZINC000189824891 823502764 /nfs/dbraw/zinc/50/27/64/823502764.db2.gz ICLTYZKTVNYRQQ-JOCHJYFZSA-N 1 0 382.529 4.418 20 0 GIADRO Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H](C)CC(=O)Nc1ccccc1C ZINC000123375981 823502968 /nfs/dbraw/zinc/50/29/68/823502968.db2.gz PKQHYKSTXNQFME-IBGZPJMESA-N 1 0 390.531 4.429 20 0 GIADRO COc1cc([C@H](C)[NH2+]C[C@H](O)CC(F)(F)F)ccc1OCc1ccccc1 ZINC000189829500 823503037 /nfs/dbraw/zinc/50/30/37/823503037.db2.gz WHJVQJBJKRDTKC-WMLDXEAASA-N 1 0 383.410 4.238 20 0 GIADRO Cc1ccc(-c2cc(C(=O)N[C@@H]3CCC[N@H+](Cc4ccccc4)C3)on2)cc1 ZINC000031415945 820807789 /nfs/dbraw/zinc/80/77/89/820807789.db2.gz XMVPWQHBHZFQBX-HXUWFJFHSA-N 1 0 375.472 4.044 20 0 GIADRO CCN(C(=O)NCC[NH+]1CCC2(CCCCC2)CC1)[C@H]1CCOC(C)(C)C1 ZINC000460765591 823506712 /nfs/dbraw/zinc/50/67/12/823506712.db2.gz CQFWGKQNPZRUKZ-IBGZPJMESA-N 1 0 379.589 4.022 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1ncoc1-c1ccccc1Cl)c1ccsc1 ZINC000460769027 823507415 /nfs/dbraw/zinc/50/74/15/823507415.db2.gz IGDXSFHYDXMGTE-HNNXBMFYSA-N 1 0 375.881 4.089 20 0 GIADRO CC(=O)N1CCC([NH2+][C@@H]2CCCc3cc(NC(=O)OC(C)(C)C)ccc32)CC1 ZINC000189908797 823512515 /nfs/dbraw/zinc/51/25/15/823512515.db2.gz CUJJBISYCJEXRX-HXUWFJFHSA-N 1 0 387.524 4.012 20 0 GIADRO C[C@@H](C(=O)Nc1cccc2ncccc21)[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000060090150 823507497 /nfs/dbraw/zinc/50/74/97/823507497.db2.gz MASPILVTKDVCLX-SBUREZEXSA-N 1 0 389.499 4.007 20 0 GIADRO Cc1onc(-c2ccc(F)cc2)c1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000031542220 820823607 /nfs/dbraw/zinc/82/36/07/820823607.db2.gz ZTTVTNWWZMGEMA-FQEVSTJZSA-N 1 0 393.462 4.184 20 0 GIADRO Cc1oc(-c2ccccc2)nc1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000031566220 820827445 /nfs/dbraw/zinc/82/74/45/820827445.db2.gz NMNLZNASMKCKHT-FQEVSTJZSA-N 1 0 375.472 4.044 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)c2cccc(NC(=O)[C@@H]3C[C@@H]3C)c2)cc1 ZINC000031584713 820828760 /nfs/dbraw/zinc/82/87/60/820828760.db2.gz DQFDPDFGBUTIDE-HTAPYJJXSA-N 1 0 393.531 4.053 20 0 GIADRO Cc1nc(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)c(Br)s1 ZINC000410654745 823507950 /nfs/dbraw/zinc/50/79/50/823507950.db2.gz PULVTKNNPNRGHP-UHFFFAOYSA-N 1 0 394.338 4.105 20 0 GIADRO Cc1noc(Cl)c1CCC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000060099371 823508231 /nfs/dbraw/zinc/50/82/31/823508231.db2.gz KLFANNIJGUOCDC-QGZVFWFLSA-N 1 0 396.318 4.176 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1ccc(N2CCCC2=O)cc1 ZINC000031621560 820835892 /nfs/dbraw/zinc/83/58/92/820835892.db2.gz APDNVWFPBHYBIC-UHFFFAOYSA-N 1 0 377.488 4.052 20 0 GIADRO CC[C@H](C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1)c1ccc(F)cc1 ZINC000460775543 823508738 /nfs/dbraw/zinc/50/87/38/823508738.db2.gz SMZNESKFGZDUIE-FCHUYYIVSA-N 1 0 384.495 4.281 20 0 GIADRO Cc1cccc2c1N(C(=O)c1ccc(N3CC[NH+](C(C)C)CC3)cc1)CCC2 ZINC000060107782 823508873 /nfs/dbraw/zinc/50/88/73/823508873.db2.gz PYBALDHULGRUTL-UHFFFAOYSA-N 1 0 377.532 4.118 20 0 GIADRO Cc1nc(C)c(C[NH2+]C[C@@H]2CCN(c3cccc(Br)c3)C2)s1 ZINC000123441648 823509400 /nfs/dbraw/zinc/50/94/00/823509400.db2.gz ANOILXFJOQLMNT-AWEZNQCLSA-N 1 0 380.355 4.139 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)NCCc1cc(Cl)cc(Cl)c1)c1cccs1 ZINC000060127594 823509418 /nfs/dbraw/zinc/50/94/18/823509418.db2.gz OOBGGWHOUZTOFY-HNNXBMFYSA-N 1 0 386.348 4.200 20 0 GIADRO Cc1onc(-c2ccccc2)c1C(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000031766871 820857076 /nfs/dbraw/zinc/85/70/76/820857076.db2.gz LNLGPUXXJWAMFO-UHFFFAOYSA-N 1 0 389.499 4.307 20 0 GIADRO COCc1c2ccccc2oc1C(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000031766755 820857218 /nfs/dbraw/zinc/85/72/18/820857218.db2.gz KFSBZXDLZQZUHR-UHFFFAOYSA-N 1 0 392.499 4.236 20 0 GIADRO N#C/C(=C\c1ccc(OCC[NH+]2CCCC2)cc1)C(=O)c1c[nH]c2ccccc21 ZINC000031855167 820867887 /nfs/dbraw/zinc/86/78/87/820867887.db2.gz JQDBXNSXCBRDGY-XDJHFCHBSA-N 1 0 385.467 4.432 20 0 GIADRO CC[NH+](CC)CCCCNC(=O)[C@@H](C)Sc1ccc(Br)cc1 ZINC000031867028 820868554 /nfs/dbraw/zinc/86/85/54/820868554.db2.gz XDAZHCTXMVRLMJ-CQSZACIVSA-N 1 0 387.387 4.168 20 0 GIADRO Cc1ccc(CCC(=O)NCC2([NH+]3CCSCC3)CCCC2)cc1Cl ZINC000031958479 820879707 /nfs/dbraw/zinc/87/97/07/820879707.db2.gz FEEBYAQVACDUSY-UHFFFAOYSA-N 1 0 380.985 4.059 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(C(F)(F)F)nc1C)c1ccsc1 ZINC000031983780 820883535 /nfs/dbraw/zinc/88/35/35/820883535.db2.gz RGIZPAUXKAAJRF-OAHLLOKOSA-N 1 0 385.455 4.283 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(Br)cc1F)c1ccsc1 ZINC000031985807 820884399 /nfs/dbraw/zinc/88/43/99/820884399.db2.gz WFJWCBUWKLOQHM-MRXNPFEDSA-N 1 0 399.329 4.463 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1cc2cc(OC)ccc2nc1C)c1ccsc1 ZINC000031985146 820884553 /nfs/dbraw/zinc/88/45/53/820884553.db2.gz AOSBSFQECGQWST-NRFANRHFSA-N 1 0 397.544 4.426 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1ccccc1Br)c1ccsc1 ZINC000031987970 820885462 /nfs/dbraw/zinc/88/54/62/820885462.db2.gz DDTNAFVWEXYDJL-MRXNPFEDSA-N 1 0 381.339 4.324 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)Oc1cccc(Cl)c1)c1ccsc1 ZINC000031988123 820885532 /nfs/dbraw/zinc/88/55/32/820885532.db2.gz RFTMFFOCVDWBPS-RDTXWAMCSA-N 1 0 380.941 4.368 20 0 GIADRO COc1ccc(OCCCC(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1 ZINC000060238967 823512743 /nfs/dbraw/zinc/51/27/43/823512743.db2.gz YFMVLYQRDUUALW-QHCPKHFHSA-N 1 0 396.531 4.116 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)CCc2c[nH]c3ccccc23)[NH+]2CCCC2)cc1 ZINC000060238975 823512800 /nfs/dbraw/zinc/51/28/00/823512800.db2.gz UKTALHWISSKQMP-HSZRJFAPSA-N 1 0 375.516 4.362 20 0 GIADRO Cc1cccc(CSCC(=O)NCC2CC[NH+](Cc3cccs3)CC2)c1 ZINC000060240396 823512862 /nfs/dbraw/zinc/51/28/62/823512862.db2.gz NTRPMDWATDTSKI-UHFFFAOYSA-N 1 0 388.602 4.318 20 0 GIADRO COc1ccc2sc(C(=O)NC[C@H](c3cccc(F)c3)[NH+](C)C)c(C)c2c1 ZINC000460790872 823513282 /nfs/dbraw/zinc/51/32/82/823513282.db2.gz DLMHCUMUCWPMSW-GOSISDBHSA-N 1 0 386.492 4.390 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)c2cnn(-c3cccc(Cl)c3)c2)CC1 ZINC000123528024 823517832 /nfs/dbraw/zinc/51/78/32/823517832.db2.gz ZTIKLZQZALUEIV-UHFFFAOYSA-N 1 0 388.943 4.110 20 0 GIADRO Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C[NH2+]C[C@H](C)C[C@H](C)O ZINC000123499260 823514917 /nfs/dbraw/zinc/51/49/17/823514917.db2.gz VGBHTFHXARFETR-NEPJUHHUSA-N 1 0 389.849 4.350 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1cc(-c2cccc(Cl)c2)no1)c1ccco1 ZINC000060319148 823515232 /nfs/dbraw/zinc/51/52/32/823515232.db2.gz JPGXYFVGGDVKST-QGZVFWFLSA-N 1 0 387.867 4.401 20 0 GIADRO Cc1cc2occ(CC(=O)NCCC[N@@H+]3CCc4ccccc4C3)c2cc1C ZINC000032400621 820934502 /nfs/dbraw/zinc/93/45/02/820934502.db2.gz PNOADNCHEKVEKQ-UHFFFAOYSA-N 1 0 376.500 4.157 20 0 GIADRO Cc1nc(CC(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)cs1 ZINC000123516382 823516308 /nfs/dbraw/zinc/51/63/08/823516308.db2.gz QNUCMHHLQOVPKS-UHFFFAOYSA-N 1 0 379.529 4.039 20 0 GIADRO CC[C@@H](CNC(=O)c1oc2c(cccc2F)c1C)[N@@H+]1CCc2ccccc2C1 ZINC000032446799 820945877 /nfs/dbraw/zinc/94/58/77/820945877.db2.gz JYZFVHNQHBBMKB-SFHVURJKSA-N 1 0 380.463 4.447 20 0 GIADRO CC[C@H](CNC(=O)c1cc(F)c(F)cc1Cl)[N@@H+]1CCc2ccccc2C1 ZINC000032445938 820946106 /nfs/dbraw/zinc/94/61/06/820946106.db2.gz UDWINJOJBLVEKP-OAHLLOKOSA-N 1 0 378.850 4.185 20 0 GIADRO CCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2[nH]c(Cc3ccccc3F)nc2c1 ZINC000060335699 823516503 /nfs/dbraw/zinc/51/65/03/823516503.db2.gz ZXALTLFXFUEUPP-FQEVSTJZSA-N 1 0 380.467 4.106 20 0 GIADRO Cc1cc(Cl)ccc1O[C@H](C)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000032462548 820950015 /nfs/dbraw/zinc/95/00/15/820950015.db2.gz IXRDMFHMGMJGJU-QGZVFWFLSA-N 1 0 386.923 4.328 20 0 GIADRO Cc1c(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cnn1-c1ccc(C)cc1 ZINC000032464558 820950813 /nfs/dbraw/zinc/95/08/13/820950813.db2.gz IHVXKGOXEBLFEH-UHFFFAOYSA-N 1 0 388.515 4.015 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)c2cc(C(C)C)n(C(C)(C)C)n2)CC1 ZINC000123524133 823517158 /nfs/dbraw/zinc/51/71/58/823517158.db2.gz JBKMGTJIPYXZKW-UHFFFAOYSA-N 1 0 376.589 4.346 20 0 GIADRO O=C([C@H]1CCCc2ccccc21)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000060355362 823518982 /nfs/dbraw/zinc/51/89/82/823518982.db2.gz BBTOHGJJCWVXFG-DEOSSOPVSA-N 1 0 376.544 4.274 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)c2c[nH]c(=S)n2-c2ccccc2)[NH+]2CCCC2)o1 ZINC000060355133 823519016 /nfs/dbraw/zinc/51/90/16/823519016.db2.gz GMBRPRBDOYWDPS-QGZVFWFLSA-N 1 0 396.516 4.003 20 0 GIADRO O=C(c1ccc(OCC2CC2)cc1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000060355303 823519096 /nfs/dbraw/zinc/51/90/96/823519096.db2.gz RDVGDZPKLXNXPF-UHFFFAOYSA-N 1 0 392.543 4.256 20 0 GIADRO C[C@H](C(=O)NCc1ccccc1F)[N@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000060356442 823519243 /nfs/dbraw/zinc/51/92/43/823519243.db2.gz RSDDXIGHZKUBQD-QGZVFWFLSA-N 1 0 395.478 4.050 20 0 GIADRO COc1cccc([C@H](CNC(=O)[C@H]2CCSc3ccccc32)[NH+]2CCCC2)c1 ZINC000460811703 823519390 /nfs/dbraw/zinc/51/93/90/823519390.db2.gz MAVZQKDFILWTFG-SFTDATJTSA-N 1 0 396.556 4.228 20 0 GIADRO CCN(C(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C)[C@@H](C)Cc1ccsc1 ZINC000189972381 823519643 /nfs/dbraw/zinc/51/96/43/823519643.db2.gz IPOAXMKDHDIUNO-OXJNMPFZSA-N 1 0 389.565 4.022 20 0 GIADRO Cc1nc([C@H]2CCCN2C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cs1 ZINC000189974560 823519984 /nfs/dbraw/zinc/51/99/84/823519984.db2.gz ZRCGQGOBXWYZDT-IAGOWNOFSA-N 1 0 390.578 4.197 20 0 GIADRO CCc1ccc([C@@H](CNC(=O)Cc2c(C)nc3ccccc3c2C)[NH+](C)C)cc1 ZINC000032734600 821000634 /nfs/dbraw/zinc/00/06/34/821000634.db2.gz QOSIJYOVAAVOHP-XMMPIXPASA-N 1 0 389.543 4.376 20 0 GIADRO C[C@@H](CNC(=O)c1cc2ccccc2cc1NC(=O)C1CC1)[N@@H+]1CCCC[C@@H]1C ZINC000032735103 821001226 /nfs/dbraw/zinc/00/12/26/821001226.db2.gz FVUQQRZRSPOPOJ-IRXDYDNUSA-N 1 0 393.531 4.181 20 0 GIADRO C[C@@H](CNC(=O)c1cccc(NC(=O)C2CCCCC2)c1)[N@@H+]1CCCC[C@@H]1C ZINC000032737579 821001623 /nfs/dbraw/zinc/00/16/23/821001623.db2.gz LZANJHFQACAAPB-ROUUACIJSA-N 1 0 385.552 4.198 20 0 GIADRO Cc1nc(C)c(C[NH2+]CC2(c3ccc(Br)cc3)CCOCC2)s1 ZINC000123554597 823520751 /nfs/dbraw/zinc/52/07/51/823520751.db2.gz KSXXHIWHSTYWIU-UHFFFAOYSA-N 1 0 395.366 4.360 20 0 GIADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1cc(Br)ccc1F ZINC000032761599 821004492 /nfs/dbraw/zinc/00/44/92/821004492.db2.gz VNQQWOOSYYYKHU-OAHLLOKOSA-N 1 0 397.313 4.217 20 0 GIADRO Cc1nc(C(F)(F)F)ccc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000032763185 821005218 /nfs/dbraw/zinc/00/52/18/821005218.db2.gz UGOWWBIOVORJPB-AWEZNQCLSA-N 1 0 383.439 4.037 20 0 GIADRO O=C(CCc1ccc(OC(F)F)cc1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000032762890 821005416 /nfs/dbraw/zinc/00/54/16/821005416.db2.gz LNDBZTSZRSELSN-QGZVFWFLSA-N 1 0 394.487 4.235 20 0 GIADRO C=CCNC(=S)C(C(=O)c1ccc(Cl)s1)[n+]1ccc2c(c1)CCCC2 ZINC000032813773 821010856 /nfs/dbraw/zinc/01/08/56/821010856.db2.gz FIOKRCBZXMDNBX-UHFFFAOYSA-O 1 0 391.969 4.282 20 0 GIADRO Brc1ccc(-c2noc(C3CC[NH+](Cc4ccccc4)CC3)n2)nc1 ZINC000460821665 823522037 /nfs/dbraw/zinc/52/20/37/823522037.db2.gz IWRKNAZBKLXGHQ-UHFFFAOYSA-N 1 0 399.292 4.274 20 0 GIADRO CCOc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(OC)c(OC(F)F)c1)CCO2 ZINC000177762643 823522218 /nfs/dbraw/zinc/52/22/18/823522218.db2.gz PUZUXEOELDDHFQ-INIZCTEOSA-N 1 0 379.403 4.309 20 0 GIADRO C[C@@H](OCc1ccccc1)C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000033010041 821026167 /nfs/dbraw/zinc/02/61/67/821026167.db2.gz XRWQESFPGJQKSP-HXUWFJFHSA-N 1 0 380.532 4.140 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)c1ccc(F)cc1Br ZINC000177773079 823524037 /nfs/dbraw/zinc/52/40/37/823524037.db2.gz POGMSFKPTHXUHD-CYBMUJFWSA-N 1 0 389.272 4.079 20 0 GIADRO Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000033085333 821031853 /nfs/dbraw/zinc/03/18/53/821031853.db2.gz QHKVSZLEIOIVFC-UHFFFAOYSA-N 1 0 387.549 4.033 20 0 GIADRO C[C@H](CNC(=O)[C@H](C)Sc1ccc(Br)cc1)C[NH+]1CCCCC1 ZINC000060396094 823523553 /nfs/dbraw/zinc/52/35/53/823523553.db2.gz QWBOUGDZQUIUDU-CABCVRRESA-N 1 0 399.398 4.168 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=S)NCCSc2ccc(Cl)cc2)CC1 ZINC000060436011 823527425 /nfs/dbraw/zinc/52/74/25/823527425.db2.gz MRDFGDQUIFIWCK-UHFFFAOYSA-N 1 0 386.030 4.113 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)c2cccc(NC(=O)c3ccco3)c2)CC1 ZINC000123630142 823527637 /nfs/dbraw/zinc/52/76/37/823527637.db2.gz HVNMFAXMNHZPCP-UHFFFAOYSA-N 1 0 397.519 4.116 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)CCc2cccc(Br)c2)CC1 ZINC000123631005 823527661 /nfs/dbraw/zinc/52/76/61/823527661.db2.gz JVUAFKMIEFQUQT-UHFFFAOYSA-N 1 0 395.385 4.352 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H](C)Oc1ccc2c(c1)CCC2 ZINC000033223023 821050935 /nfs/dbraw/zinc/05/09/35/821050935.db2.gz LQQFZLOEWJLEGX-SFHVURJKSA-N 1 0 380.532 4.101 20 0 GIADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@H]2CCSc3ccccc32)cc1 ZINC000177816883 823529992 /nfs/dbraw/zinc/52/99/92/823529992.db2.gz CAQDNZGRVORTTB-IBGZPJMESA-N 1 0 390.574 4.044 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000177809566 823528602 /nfs/dbraw/zinc/52/86/02/823528602.db2.gz CQXBMKPUZPFYDN-CABCVRRESA-N 1 0 394.359 4.423 20 0 GIADRO COc1ccc(-c2ccc(C(=O)N3CCC[C@H]3C[NH+]3CCCC3)c(F)c2)cc1 ZINC000035931733 821067011 /nfs/dbraw/zinc/06/70/11/821067011.db2.gz GFDUTEZRBVSPIS-IBGZPJMESA-N 1 0 382.479 4.202 20 0 GIADRO COc1ccc(C[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccccc2)cc1OC ZINC000036031023 821067636 /nfs/dbraw/zinc/06/76/36/821067636.db2.gz PRCODCVHHPTYAF-JOCHJYFZSA-N 1 0 377.484 4.440 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](c1cccc(F)c1)N1CCOCC1)c1ccc2ccccc2n1 ZINC000177810253 823528820 /nfs/dbraw/zinc/52/88/20/823528820.db2.gz UKPAZVSXNLTFSL-HXOBKFHXSA-N 1 0 379.479 4.098 20 0 GIADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)COc1ccc(Cl)c2ccccc12 ZINC000060451356 823529283 /nfs/dbraw/zinc/52/92/83/823529283.db2.gz QCBCRPJTKOEUAY-MRXNPFEDSA-N 1 0 376.928 4.499 20 0 GIADRO COc1ccc2cc([C@H](C)C(=O)NC[C@@H](c3cccs3)[NH+](C)C)ccc2c1 ZINC000036685195 821075849 /nfs/dbraw/zinc/07/58/49/821075849.db2.gz SFLZFDDYDKCCOC-YWZLYKJASA-N 1 0 382.529 4.433 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(OC[C@H]2CCCO2)cc1)c1ccccc1 ZINC000036692795 821076260 /nfs/dbraw/zinc/07/62/60/821076260.db2.gz WPNDXAWJTFZJRG-PKTZIBPZSA-N 1 0 396.531 4.057 20 0 GIADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)COc2ccccc2-c2ccccc2)o1 ZINC000060407568 823524343 /nfs/dbraw/zinc/52/43/43/823524343.db2.gz HVUNFOUXMOCIAA-UHFFFAOYSA-N 1 0 392.499 4.224 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1c2c(nc3ccccc31)CCC2 ZINC000036709260 821077959 /nfs/dbraw/zinc/07/79/59/821077959.db2.gz HURVAIVCWZXBRJ-OAQYLSRUSA-N 1 0 389.499 4.274 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)CSc1nc2ccccc2o1)c1ccccc1 ZINC000036718725 821078412 /nfs/dbraw/zinc/07/84/12/821078412.db2.gz FYUTVQCKDPAAAL-GOSISDBHSA-N 1 0 383.517 4.119 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)c1cc(Cl)ccc1OC(F)F ZINC000177776322 823524456 /nfs/dbraw/zinc/52/44/56/823524456.db2.gz UJQQRUOJDOPEAM-CYBMUJFWSA-N 1 0 392.837 4.432 20 0 GIADRO C/C=C/c1ccc(OCC(=O)NCc2ccccc2C[N@H+](C)C(C)C)c(OC)c1 ZINC000060412915 823524781 /nfs/dbraw/zinc/52/47/81/823524781.db2.gz YRNRVKAGIFPAHT-RMKNXTFCSA-N 1 0 396.531 4.264 20 0 GIADRO Cc1nn(-c2ccccc2)cc1C[NH2+]C1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000190008665 823525251 /nfs/dbraw/zinc/52/52/51/823525251.db2.gz IMULQBDFOZDRQZ-UHFFFAOYSA-N 1 0 384.524 4.060 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)c1ccccc1C(F)(F)F)c1ccc(N2CCCC2=O)cc1 ZINC000177779901 823525456 /nfs/dbraw/zinc/52/54/56/823525456.db2.gz LGSRWOWLIQAOFO-LIRRHRJNSA-N 1 0 392.421 4.216 20 0 GIADRO O[C@@H](C[NH2+]Cc1ccc(Br)s1)c1cccc(C(F)(F)F)c1 ZINC000037998538 821094287 /nfs/dbraw/zinc/09/42/87/821094287.db2.gz JCZJSXWLLCPLKW-LBPRGKRZSA-N 1 0 380.229 4.353 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000038584997 821097852 /nfs/dbraw/zinc/09/78/52/821097852.db2.gz LKZTUPKXXABHLF-UHFFFAOYSA-N 1 0 393.940 4.444 20 0 GIADRO CCOc1ccccc1OCC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000060425947 823525936 /nfs/dbraw/zinc/52/59/36/823525936.db2.gz OKNSZDRMUFJPBW-LJQANCHMSA-N 1 0 396.531 4.155 20 0 GIADRO Cc1noc2nc(C)cc(C(=O)NCc3ccc(C[N@H+]4CCCC[C@H]4C)cc3)c12 ZINC000060426000 823526019 /nfs/dbraw/zinc/52/60/19/823526019.db2.gz CCHBBYYWVPALMF-MRXNPFEDSA-N 1 0 392.503 4.144 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)c1ccc(CSC)cc1)[NH+]1CCCC1 ZINC000039484876 821106635 /nfs/dbraw/zinc/10/66/35/821106635.db2.gz MLAKBTYGOHLHNM-HXUWFJFHSA-N 1 0 384.545 4.125 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)c2ccc(NC(=O)c3cccs3)cc2)CC1 ZINC000039564055 821115961 /nfs/dbraw/zinc/11/59/61/821115961.db2.gz WRSOWMOXOBXBTL-UHFFFAOYSA-N 1 0 399.560 4.193 20 0 GIADRO O=C(NCc1ccc(C(F)F)cc1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000460880735 823535398 /nfs/dbraw/zinc/53/53/98/823535398.db2.gz INSISWHAUSJKJZ-RTWAWAEBSA-N 1 0 399.485 4.288 20 0 GIADRO O=C(CCOc1ccc(Cl)cc1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000060508873 823536016 /nfs/dbraw/zinc/53/60/16/823536016.db2.gz FJKXPPVFSYWUQE-UHFFFAOYSA-N 1 0 378.944 4.224 20 0 GIADRO Cc1cccc(C)c1NCC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000460869042 823532870 /nfs/dbraw/zinc/53/28/70/823532870.db2.gz FAMXBMBCYZIXCG-UHFFFAOYSA-N 1 0 379.548 4.086 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cccc2ccn(C)c21 ZINC000190067731 823533428 /nfs/dbraw/zinc/53/34/28/823533428.db2.gz WJDXOYIZWHAXPB-IBGZPJMESA-N 1 0 376.504 4.164 20 0 GIADRO CN(Cc1ccc(OC(F)F)cc1)C(=O)C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000041106765 821170553 /nfs/dbraw/zinc/17/05/53/821170553.db2.gz ONDLDQMJRKGGDY-MRXNPFEDSA-N 1 0 380.460 4.145 20 0 GIADRO COc1ccc([C@@H](CNC(=O)c2cc3cc(C)ccc3o2)[NH+]2CCCC2)cc1 ZINC000041308912 821181599 /nfs/dbraw/zinc/18/15/99/821181599.db2.gz IKVOQGPMFYSJTI-HXUWFJFHSA-N 1 0 378.472 4.317 20 0 GIADRO Cc1oc(-c2ccccc2)nc1CC(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000041401196 821188870 /nfs/dbraw/zinc/18/88/70/821188870.db2.gz ZIBWUIJUZIZWPA-OAQYLSRUSA-N 1 0 383.536 4.065 20 0 GIADRO CCc1ccc(C(=O)C(C(=S)NC2CC2)[n+]2ccc3c(c2)CCCC3)cc1 ZINC000041465733 821194795 /nfs/dbraw/zinc/19/47/95/821194795.db2.gz XPFUNFAFYGUOMR-UHFFFAOYSA-O 1 0 379.549 4.106 20 0 GIADRO Cc1cc(C)c(Br)c(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000123667110 823530267 /nfs/dbraw/zinc/53/02/67/823530267.db2.gz QOBIUEAPSXFQIE-INIZCTEOSA-N 1 0 379.342 4.014 20 0 GIADRO O=C(C[C@H](Cc1ccccc1)c1ccccc1)N1CCC([NH+]2CCCC2)CC1 ZINC000460886707 823536170 /nfs/dbraw/zinc/53/61/70/823536170.db2.gz YRRLIARJISUMQR-QHCPKHFHSA-N 1 0 376.544 4.490 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=S)Nc1ccc(NC(C)=O)cc1)c1ccccc1 ZINC000041726730 821219529 /nfs/dbraw/zinc/21/95/29/821219529.db2.gz AUHDVIBZGIFGGE-HXUWFJFHSA-N 1 0 384.549 4.015 20 0 GIADRO 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 823537304 /nfs/dbraw/zinc/53/73/04/823537304.db2.gz MLNQCXLBCBBQFD-GDAAHCPNSA-N 1 0 397.485 4.269 20 0 GIADRO Cc1nc(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)c(Br)s1 ZINC000411048188 823537628 /nfs/dbraw/zinc/53/76/28/823537628.db2.gz NVEASMRJMRYFTE-CYBMUJFWSA-N 1 0 380.311 4.015 20 0 GIADRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(NC(=O)CC(C)C)c(C)c1 ZINC000460901004 823538479 /nfs/dbraw/zinc/53/84/79/823538479.db2.gz CNUCOQVLFCDYOF-HXUWFJFHSA-N 1 0 387.568 4.364 20 0 GIADRO COc1ccc(C[NH2+]Cc2cccc3c2OCO3)cc1OCc1ccccc1 ZINC000060527158 823538482 /nfs/dbraw/zinc/53/84/82/823538482.db2.gz FNUWERQKGKYGSK-UHFFFAOYSA-N 1 0 377.440 4.293 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)Cc3cnn(-c4ccccc4)c3)cc2)C1 ZINC000060547909 823541129 /nfs/dbraw/zinc/54/11/29/823541129.db2.gz WNULKICSLIDWEN-LJQANCHMSA-N 1 0 388.515 4.285 20 0 GIADRO COc1cc(C[NH2+]C[C@@H](OC)c2ccccc2)ccc1OCc1c(C)noc1C ZINC000060528436 823538739 /nfs/dbraw/zinc/53/87/39/823538739.db2.gz RGGOVHCWXGFOFA-HSZRJFAPSA-N 1 0 396.487 4.356 20 0 GIADRO Brc1ccc(C2(C[NH2+]Cc3ccc(-n4cncn4)cc3)CCC2)cc1 ZINC000060528202 823538782 /nfs/dbraw/zinc/53/87/82/823538782.db2.gz KGJZHPKCEOTQDS-UHFFFAOYSA-N 1 0 397.320 4.241 20 0 GIADRO C[C@@H]([NH2+]Cc1cc2ccccc2[nH]c1=O)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000123765389 823538816 /nfs/dbraw/zinc/53/88/16/823538816.db2.gz RYVCNBWUWOCRFL-MRXNPFEDSA-N 1 0 398.466 4.439 20 0 GIADRO CC[NH+](CC)[C@H](C)CNC(=O)c1c(C)onc1-c1c(Cl)cccc1Cl ZINC000041925561 821245888 /nfs/dbraw/zinc/24/58/88/821245888.db2.gz LCDSSLVNBYCPEO-LLVKDONJSA-N 1 0 384.307 4.417 20 0 GIADRO Cc1cc(C(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)c(C)n1CC(F)(F)F ZINC000060552384 823541455 /nfs/dbraw/zinc/54/14/55/823541455.db2.gz OJCVALQHINMBFU-GOSISDBHSA-N 1 0 387.490 4.154 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)C1CCCCC1 ZINC000042012533 821254044 /nfs/dbraw/zinc/25/40/44/821254044.db2.gz MIXHWPBTBOTFGV-LJQANCHMSA-N 1 0 397.563 4.181 20 0 GIADRO CCCCNC(=O)c1ccc(C[NH2+][C@H](C)c2cc(OC)c(OC)cc2C)cc1 ZINC000177876563 823540025 /nfs/dbraw/zinc/54/00/25/823540025.db2.gz NMFXGSLQQSJFGN-QGZVFWFLSA-N 1 0 384.520 4.393 20 0 GIADRO C[N@@H+]1CC[C@@H](CNC(=O)Cc2cccc(Cl)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123778576 823540087 /nfs/dbraw/zinc/54/00/87/823540087.db2.gz KODQVWMEZDOOGX-YWZLYKJASA-N 1 0 395.305 4.484 20 0 GIADRO O=C(NC1CC1)[C@H](c1ccccc1)[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000123780834 823540238 /nfs/dbraw/zinc/54/02/38/823540238.db2.gz RTOXFYWBFCFYFO-UWJYYQICSA-N 1 0 375.472 4.027 20 0 GIADRO COc1ccc2c(c1)CCN2C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000060545070 823540354 /nfs/dbraw/zinc/54/03/54/823540354.db2.gz ZDYWIKVUQOENDF-GOSISDBHSA-N 1 0 393.531 4.342 20 0 GIADRO CCOc1ccc(SCC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000042127157 821270477 /nfs/dbraw/zinc/27/04/77/821270477.db2.gz KGFLQBIVJGXGTH-UHFFFAOYSA-N 1 0 398.572 4.267 20 0 GIADRO CCOc1ccccc1CCC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000042127489 821270736 /nfs/dbraw/zinc/27/07/36/821270736.db2.gz MONGZJYRPSYDLQ-UHFFFAOYSA-N 1 0 380.532 4.107 20 0 GIADRO C[N@H+](CCCc1nc(-c2cccs2)no1)Cc1ccc(Br)o1 ZINC000042146546 821274732 /nfs/dbraw/zinc/27/47/32/821274732.db2.gz ZVOWPTVJWVHQIR-UHFFFAOYSA-N 1 0 382.283 4.218 20 0 GIADRO CCC(CC)[C@@H](CNC(=O)N1CCC[C@@H]1c1csc(C)n1)[NH+]1CCCC1 ZINC000190125452 823540701 /nfs/dbraw/zinc/54/07/01/823540701.db2.gz NRGURLBGMLPLMU-RTBURBONSA-N 1 0 378.586 4.199 20 0 GIADRO COc1ccc(C[NH2+]C[C@@H]2COc3ccccc3C2)cc1OCc1cccnc1 ZINC000042186831 821281343 /nfs/dbraw/zinc/28/13/43/821281343.db2.gz GCCWLYVGMYYORE-HXUWFJFHSA-N 1 0 390.483 4.010 20 0 GIADRO COc1ccc([C@H](O)C[NH2+]Cc2ccc(OCc3cccs3)c(OC)c2)cc1 ZINC000042202359 821283409 /nfs/dbraw/zinc/28/34/09/821283409.db2.gz QFZARFUBQQLKGD-HXUWFJFHSA-N 1 0 399.512 4.168 20 0 GIADRO c1nn(-c2ccccc2)cc1CC[NH2+]Cc1ccccc1OCc1cccnc1 ZINC000042206862 821284201 /nfs/dbraw/zinc/28/42/01/821284201.db2.gz DZWGYUDOUMYZIM-UHFFFAOYSA-N 1 0 384.483 4.179 20 0 GIADRO COc1cc(C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccs2)ccn1 ZINC000042208396 821284337 /nfs/dbraw/zinc/28/43/37/821284337.db2.gz VBYVADSVONLRGQ-UHFFFAOYSA-N 1 0 390.512 4.353 20 0 GIADRO CCOc1cc(C[NH2+]Cc2cc3c(cc2OC)C[C@H](C)O3)ccc1OC(F)F ZINC000042208793 821284920 /nfs/dbraw/zinc/28/49/20/821284920.db2.gz UBAIBCUAPHXVCP-ZDUSSCGKSA-N 1 0 393.430 4.309 20 0 GIADRO Cc1cc(C[NH2+]Cc2ccc(N(C)C)nc2)cc(C)c1OCc1ccccn1 ZINC000042227299 821287799 /nfs/dbraw/zinc/28/77/99/821287799.db2.gz VGYIPWIHHHUUKY-UHFFFAOYSA-N 1 0 376.504 4.028 20 0 GIADRO C[C@H]([NH2+]C(c1ccccc1)c1ccccc1)C(=O)N1CCc2sccc2C1 ZINC000042287758 821295237 /nfs/dbraw/zinc/29/52/37/821295237.db2.gz XVPAHEZUPVXRMM-KRWDZBQOSA-N 1 0 376.525 4.401 20 0 GIADRO O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)Nc1ccc2c(c1)OCO2 ZINC000042309673 821298253 /nfs/dbraw/zinc/29/82/53/821298253.db2.gz AMAXBDWJQHPGJK-QGZVFWFLSA-N 1 0 387.867 4.027 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)N(C)Cc1ccc(F)cc1F)c1ccsc1 ZINC000042346300 821302776 /nfs/dbraw/zinc/30/27/76/821302776.db2.gz BTVOYAITZPXYCJ-GOSISDBHSA-N 1 0 381.492 4.251 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)N[C@H](C)c1nc2ccccc2[nH]1)c1ccsc1 ZINC000042346041 821302869 /nfs/dbraw/zinc/30/28/69/821302869.db2.gz JSYYCDVRNWIOPO-RDTXWAMCSA-N 1 0 385.537 4.068 20 0 GIADRO C[C@H](CNC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)[NH+]1CCCC1 ZINC000042507803 821309444 /nfs/dbraw/zinc/30/94/44/821309444.db2.gz ISRJASMXDYINFT-CYBMUJFWSA-N 1 0 396.318 4.182 20 0 GIADRO CSc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1 ZINC000042564076 821310810 /nfs/dbraw/zinc/31/08/10/821310810.db2.gz JOUHCVJNYOZLLE-SJORKVTESA-N 1 0 397.544 4.086 20 0 GIADRO Cc1ccc(OC2CCN(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)CC2)cc1C ZINC000042908092 821343740 /nfs/dbraw/zinc/34/37/40/821343740.db2.gz GOTZIWJXZDCYMT-UHFFFAOYSA-N 1 0 387.568 4.165 20 0 GIADRO COc1cccc([C@@H](CNC(=O)c2cc(SC)ccc2Cl)[NH+](C)C)c1 ZINC000042674251 821323727 /nfs/dbraw/zinc/32/37/27/821323727.db2.gz ITLNSAPPBRRUQX-GOSISDBHSA-N 1 0 378.925 4.103 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)COc1ccc(F)cc1Cl ZINC000042699139 821325531 /nfs/dbraw/zinc/32/55/31/821325531.db2.gz UUHXCKPUJWGABJ-UHFFFAOYSA-N 1 0 394.874 4.217 20 0 GIADRO CCOc1cc(NC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)ccc1OC ZINC000042814586 821335144 /nfs/dbraw/zinc/33/51/44/821335144.db2.gz WDFFMAFPYRKCMM-LJQANCHMSA-N 1 0 383.492 4.053 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CCCCC[C@H]1c1ccncc1 ZINC000042929655 821345965 /nfs/dbraw/zinc/34/59/65/821345965.db2.gz FTMRHBCAZDVNMK-QHCPKHFHSA-N 1 0 392.547 4.373 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)c(CC(=O)N(C)C2CC[NH+](C(C)C)CC2)s1 ZINC000043115793 821362913 /nfs/dbraw/zinc/36/29/13/821362913.db2.gz LNUKHFBBBNVGRW-UHFFFAOYSA-N 1 0 385.577 4.301 20 0 GIADRO COc1ccc([C@@H]2CCCN2C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000043137270 821366456 /nfs/dbraw/zinc/36/64/56/821366456.db2.gz KYRZXZFGOPOGRT-LEWJYISDSA-N 1 0 397.519 4.362 20 0 GIADRO CCOc1ccc(NC(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCC2)cc1 ZINC000043146011 821367966 /nfs/dbraw/zinc/36/79/66/821367966.db2.gz JZHGCNPUBIAGCR-FQEVSTJZSA-N 1 0 383.492 4.053 20 0 GIADRO O=C(Nc1ccccc1C(F)(F)F)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000043159158 821371020 /nfs/dbraw/zinc/37/10/20/821371020.db2.gz LILGDLHNNNJPRL-UHFFFAOYSA-N 1 0 377.410 4.445 20 0 GIADRO CC(C)n1cnnc1[C@@H]1CCC[N@H+](Cc2ccc(SC(=O)N(C)C)cc2)C1 ZINC000180628919 821374327 /nfs/dbraw/zinc/37/43/27/821374327.db2.gz RPGNNUGJHGQEQX-QGZVFWFLSA-N 1 0 387.553 4.012 20 0 GIADRO COC(=O)c1oc([C@@H](C)[NH+]2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)cc1C ZINC000180631029 821375432 /nfs/dbraw/zinc/37/54/32/821375432.db2.gz GXVUJJCOXOLOCG-HUUCEWRRSA-N 1 0 394.512 4.061 20 0 GIADRO COc1ccccc1-c1ccc(C[N@@H+]2CCC[C@H]([C@@H](O)c3nccn3C)C2)cc1 ZINC000180652402 821383419 /nfs/dbraw/zinc/38/34/19/821383419.db2.gz XLGGTNSVHCYFEO-NZQKXSOJSA-N 1 0 391.515 4.041 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)Cc2nc(-c3cccs3)oc2C)c1 ZINC000043274069 821384998 /nfs/dbraw/zinc/38/49/98/821384998.db2.gz HWQNFTJDMQDDKC-UHFFFAOYSA-N 1 0 397.544 4.412 20 0 GIADRO COC(=O)CC[C@@H]([NH2+][C@H](C)c1cccc(N2CCCC2=O)c1)c1ccccc1 ZINC000180670861 821389838 /nfs/dbraw/zinc/38/98/38/821389838.db2.gz AQFPIAQWTSQHHW-DYESRHJHSA-N 1 0 380.488 4.159 20 0 GIADRO COC(=O)CC[C@H]([NH2+][C@H](C)c1ccc(NC(=O)NC2CC2)cc1)c1ccccc1 ZINC000180675396 821391523 /nfs/dbraw/zinc/39/15/23/821391523.db2.gz MBNADNLAQDADAB-IERDGZPVSA-N 1 0 395.503 4.316 20 0 GIADRO Clc1ccccc1C1(C[NH2+]C2CCN(Cc3cccnc3)CC2)CCOCC1 ZINC000180676506 821391620 /nfs/dbraw/zinc/39/16/20/821391620.db2.gz QYQGHEYCJLTKJM-UHFFFAOYSA-N 1 0 399.966 4.037 20 0 GIADRO Cc1cc2ncc([C@@H](C)[NH2+]CCOc3ccccc3C(F)(F)F)c(C)n2n1 ZINC000180678831 821393075 /nfs/dbraw/zinc/39/30/75/821393075.db2.gz NQOCVWMMBCLPRJ-CYBMUJFWSA-N 1 0 378.398 4.095 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CCOc2ccccc2C(F)(F)F)cc1NC(C)=O ZINC000180678389 821393148 /nfs/dbraw/zinc/39/31/48/821393148.db2.gz NLMQQAZNNJSQMH-CYBMUJFWSA-N 1 0 396.409 4.402 20 0 GIADRO Cc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000180690368 821396921 /nfs/dbraw/zinc/39/69/21/821396921.db2.gz KYTVLQZRAIYMDP-KBXCAEBGSA-N 1 0 380.410 4.054 20 0 GIADRO C[C@H](CCN[C@@H](c1cnn(C)c1)c1cccc(F)c1)[N@H+](C)Cc1ccccc1 ZINC000180697043 821400503 /nfs/dbraw/zinc/40/05/03/821400503.db2.gz ZJDYPWFBAISBCD-WZONZLPQSA-N 1 0 380.511 4.149 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Nc1cc(OC)c(OC)cc1C)c1ccccc1 ZINC000043405203 821403000 /nfs/dbraw/zinc/40/30/00/821403000.db2.gz GBXLOFBRWYKYBC-LJQANCHMSA-N 1 0 385.508 4.217 20 0 GIADRO O[C@]1(C[NH2+][C@H](c2ccccc2)c2cc(Br)ccc2F)CCSC1 ZINC000180702858 821405050 /nfs/dbraw/zinc/40/50/50/821405050.db2.gz JKGMIPZIFMSZHZ-MSOLQXFVSA-N 1 0 396.325 4.135 20 0 GIADRO COc1ccc2c(c1)C[C@H]([NH2+]CCc1nc(-c3ccc(Cl)cc3)no1)CC2 ZINC000180707797 821408328 /nfs/dbraw/zinc/40/83/28/821408328.db2.gz GXFMDFMSBCKBIA-GOSISDBHSA-N 1 0 383.879 4.088 20 0 GIADRO C[C@@H]([NH2+]CCc1nc(-c2ccc(Cl)cc2)no1)c1ccc([S@](C)=O)cc1 ZINC000180707960 821408419 /nfs/dbraw/zinc/40/84/19/821408419.db2.gz KNNDPMMNVGXQGA-SRGMZFCMSA-N 1 0 389.908 4.021 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000180707018 821408427 /nfs/dbraw/zinc/40/84/27/821408427.db2.gz QWYKAHOCMKFYBO-CYBMUJFWSA-N 1 0 384.867 4.242 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)cc1F ZINC000180708188 821408989 /nfs/dbraw/zinc/40/89/89/821408989.db2.gz ZGFMXXLLBOZNET-GFCCVEGCSA-N 1 0 375.831 4.431 20 0 GIADRO CCCOc1ccccc1NC(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1 ZINC000043452495 821409350 /nfs/dbraw/zinc/40/93/50/821409350.db2.gz JLJQCWDDHCEJJT-UHFFFAOYSA-N 1 0 397.519 4.224 20 0 GIADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000180710546 821410104 /nfs/dbraw/zinc/41/01/04/821410104.db2.gz PEESYIRDZIXWJY-KBXCAEBGSA-N 1 0 383.458 4.140 20 0 GIADRO CC[C@H](NC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C)c1ccccc1OC ZINC000043490319 821415864 /nfs/dbraw/zinc/41/58/64/821415864.db2.gz DGAPUQSSNSFGFM-FQEVSTJZSA-N 1 0 396.535 4.028 20 0 GIADRO O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000043489647 821416024 /nfs/dbraw/zinc/41/60/24/821416024.db2.gz YWJOVJAZLZBQJQ-UHFFFAOYSA-N 1 0 396.457 4.054 20 0 GIADRO CC[C@@H](NC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C)c1ccccc1OC ZINC000043490321 821416045 /nfs/dbraw/zinc/41/60/45/821416045.db2.gz DGAPUQSSNSFGFM-HXUWFJFHSA-N 1 0 396.535 4.028 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@@H](c1ccccc1)C(C)C ZINC000043490809 821416103 /nfs/dbraw/zinc/41/61/03/821416103.db2.gz HGJDJYGKTAZYTA-JOCHJYFZSA-N 1 0 380.536 4.266 20 0 GIADRO Cc1cc(N2CCCC2)ccc1NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000043496833 821418416 /nfs/dbraw/zinc/41/84/16/821418416.db2.gz POWLZQNUFLLBQQ-FQEVSTJZSA-N 1 0 382.508 4.147 20 0 GIADRO Cn1cc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)c(-c2cccs2)n1 ZINC000180724282 821419045 /nfs/dbraw/zinc/41/90/45/821419045.db2.gz XSVPEOWBABKZAD-MOPGFXCFSA-N 1 0 385.508 4.376 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)NC[C@H](C)c3ccccc3)c(C)c2)CC1 ZINC000043522878 821421862 /nfs/dbraw/zinc/42/18/62/821421862.db2.gz ZZWBBKPGAFTREU-IBGZPJMESA-N 1 0 380.536 4.062 20 0 GIADRO Cc1ccc(-c2ccc(C(=O)NC3CC[NH+](Cc4ccncc4)CC3)s2)o1 ZINC000180733928 821423653 /nfs/dbraw/zinc/42/36/53/821423653.db2.gz FXFODPBFNASJDH-UHFFFAOYSA-N 1 0 381.501 4.106 20 0 GIADRO Cc1ccc(OC(F)F)c([C@@H](C)NCC2([NH+]3CCCCC3)CCOCC2)c1 ZINC000180737188 821425594 /nfs/dbraw/zinc/42/55/94/821425594.db2.gz OVIMWGATHHCCGQ-QGZVFWFLSA-N 1 0 382.495 4.282 20 0 GIADRO C[C@H]([NH2+]CC1(N2CCCCC2)CCOCC1)c1cccc(OC(F)(F)F)c1 ZINC000180740415 821427583 /nfs/dbraw/zinc/42/75/83/821427583.db2.gz MAECWQCABONMTD-INIZCTEOSA-N 1 0 386.458 4.271 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000043574615 821429206 /nfs/dbraw/zinc/42/92/06/821429206.db2.gz XCQSGFLNPXAXNL-UHFFFAOYSA-N 1 0 378.520 4.025 20 0 GIADRO CC[NH+]1CCC(NC(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)CC1 ZINC000043622966 821432140 /nfs/dbraw/zinc/43/21/40/821432140.db2.gz CPNVWQDMYHHZOM-UHFFFAOYSA-N 1 0 398.454 4.435 20 0 GIADRO COCCn1ccc2ccc(NC(=O)c3oc4ccccc4c3C[NH+](C)C)cc21 ZINC000180755651 821436014 /nfs/dbraw/zinc/43/60/14/821436014.db2.gz XXUPMCMCGQTREY-UHFFFAOYSA-N 1 0 391.471 4.348 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(NC(=O)C(C)C)cc1)c1ccccc1 ZINC000043675134 821440008 /nfs/dbraw/zinc/44/00/08/821440008.db2.gz NQLNQDUJSSPUTC-OAQYLSRUSA-N 1 0 396.535 4.486 20 0 GIADRO CC(C)C(=O)Nc1ccc(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000043675270 821440169 /nfs/dbraw/zinc/44/01/69/821440169.db2.gz GNFABBHVQDMXIN-LJQANCHMSA-N 1 0 398.507 4.223 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1cccc(OCc2ccccc2)c1 ZINC000180766882 821443319 /nfs/dbraw/zinc/44/33/19/821443319.db2.gz QFYJCYTUEQCMPP-HNAYVOBHSA-N 1 0 392.421 4.079 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+][C@@H]1CCN(c2ccccc2F)C1=O ZINC000180772480 821446713 /nfs/dbraw/zinc/44/67/13/821446713.db2.gz YRTYOQBNZYAOTG-SUMWQHHRSA-N 1 0 396.491 4.109 20 0 GIADRO CCc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3nc(-c4ccccc4)cs3)C2)ncn1 ZINC000180776464 821449854 /nfs/dbraw/zinc/44/98/54/821449854.db2.gz JMOAQNZJPGEQBC-LPHOPBHVSA-N 1 0 393.560 4.482 20 0 GIADRO CCC(=O)N1CC[C@@H]([NH2+][C@H](c2ccc(Cl)cc2)c2ccc(OC)c(C)c2)C1 ZINC000180780340 821453228 /nfs/dbraw/zinc/45/32/28/821453228.db2.gz RDPZIZPPDSMTJQ-DENIHFKCSA-N 1 0 386.923 4.347 20 0 GIADRO CC(C)n1ncc2cc(CN3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)c(Cl)nc21 ZINC000180781330 821453954 /nfs/dbraw/zinc/45/39/54/821453954.db2.gz XVVZIOSBPFGMJC-BEFAXECRSA-N 1 0 387.959 4.114 20 0 GIADRO C[C@H]([NH2+]CCNC(=O)c1c(F)cccc1F)c1nc(-c2ccccc2)cs1 ZINC000180788547 821459478 /nfs/dbraw/zinc/45/94/78/821459478.db2.gz QEKLLCSAGUYTBI-ZDUSSCGKSA-N 1 0 387.455 4.169 20 0 GIADRO O=C(NCC[NH2+][C@@H]1CCSc2ccc(Cl)cc21)c1c(F)cccc1F ZINC000180790356 821459851 /nfs/dbraw/zinc/45/98/51/821459851.db2.gz ISXVDECAQVICQD-OAHLLOKOSA-N 1 0 382.863 4.175 20 0 GIADRO CCOCc1cc(C[N@@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)ccc1OC ZINC000180802769 821466682 /nfs/dbraw/zinc/46/66/82/821466682.db2.gz YTRAFDWZYWOINE-KRWDZBQOSA-N 1 0 397.441 4.284 20 0 GIADRO Cn1cc([C@H]([NH2+]CCc2coc(-c3ccc(F)cc3)n2)c2cccc(F)c2)cn1 ZINC000180803570 821467596 /nfs/dbraw/zinc/46/75/96/821467596.db2.gz KYIRZGKFKNFKSH-OAQYLSRUSA-N 1 0 394.425 4.275 20 0 GIADRO Cn1cc(C[N@@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c(-c2ccccc2)n1 ZINC000180805039 821467969 /nfs/dbraw/zinc/46/79/69/821467969.db2.gz LKWGFLMWXKQAMM-KRWDZBQOSA-N 1 0 389.425 4.140 20 0 GIADRO CCOC(=O)CC[C@H]1CCC[N@H+](Cc2cc3cnn(C(C)C)c3nc2Cl)C1 ZINC000180806021 821468822 /nfs/dbraw/zinc/46/88/22/821468822.db2.gz FWSYNVIZBJGXBO-OAHLLOKOSA-N 1 0 392.931 4.221 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]CCS(=O)(=O)C(C)(C)C ZINC000180806481 821469599 /nfs/dbraw/zinc/46/95/99/821469599.db2.gz VPJIUNDAKYITAR-AWEZNQCLSA-N 1 0 380.579 4.291 20 0 GIADRO CCOC(=O)CC[C@H]1CCC[N@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000180807826 821470228 /nfs/dbraw/zinc/47/02/28/821470228.db2.gz FORDTLGRILNJKL-LJQANCHMSA-N 1 0 382.504 4.216 20 0 GIADRO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cc(C)c(OCc4ccccn4)c(C)c3)[C@H]2C1 ZINC000180812738 821473715 /nfs/dbraw/zinc/47/37/15/821473715.db2.gz JVHGLGHHSCIXHS-VJBWXMMDSA-N 1 0 396.531 4.046 20 0 GIADRO O=C1CCCN1Cc1ccc(C[NH2+]Cc2ccc(Oc3ccccc3)o2)cc1 ZINC000180812483 821473804 /nfs/dbraw/zinc/47/38/04/821473804.db2.gz XGFMLYMLUAEANO-UHFFFAOYSA-N 1 0 376.456 4.484 20 0 GIADRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000180821548 821480967 /nfs/dbraw/zinc/48/09/67/821480967.db2.gz IKYHTFBHJCNLDG-NXEZZACHSA-N 1 0 391.377 4.198 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H](C)c2cc(OC)ccc2OC)c1 ZINC000043877817 821482145 /nfs/dbraw/zinc/48/21/45/821482145.db2.gz ILKGLLCDCKKSEH-KRWDZBQOSA-N 1 0 399.535 4.106 20 0 GIADRO FC(F)(F)c1cnc(N=NC2CC[NH+](Cc3ccccn3)CC2)c(Cl)c1 ZINC000043913284 821488471 /nfs/dbraw/zinc/48/84/71/821488471.db2.gz XHYZILKDFDCGCU-UHFFFAOYSA-N 1 0 383.805 4.213 20 0 GIADRO Cc1noc(CC[NH2+][C@@H](c2ccccc2)c2ccc(Br)cc2F)n1 ZINC000180843198 821490710 /nfs/dbraw/zinc/49/07/10/821490710.db2.gz XNXVGEOTVXTQOE-SFHVURJKSA-N 1 0 390.256 4.201 20 0 GIADRO COc1ccc(C[C@@H](C)[NH2+]CCCc2nc(-c3ccncc3)cs2)cc1OC ZINC000180846532 821492197 /nfs/dbraw/zinc/49/21/97/821492197.db2.gz IHCPJQZEROTLAS-MRXNPFEDSA-N 1 0 397.544 4.376 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+]CCCc2nc(-c3ccncc3)cs2)c1 ZINC000180847614 821492875 /nfs/dbraw/zinc/49/28/75/821492875.db2.gz DBTVSYHDUMMXBM-HNNXBMFYSA-N 1 0 380.517 4.447 20 0 GIADRO C[C@H](NC(=O)C[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1)c1ccccc1Cl ZINC000180851100 821495339 /nfs/dbraw/zinc/49/53/39/821495339.db2.gz IELCELSXHILKSI-HOTGVXAUSA-N 1 0 382.895 4.054 20 0 GIADRO C[C@@H](NC(=O)C[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1)c1ccccc1Cl ZINC000180851142 821495488 /nfs/dbraw/zinc/49/54/88/821495488.db2.gz IELCELSXHILKSI-JKSUJKDBSA-N 1 0 382.895 4.054 20 0 GIADRO Cc1cc(C(=O)N2CCC(CCC[NH+](C)C)CC2)nn1-c1ccccc1Cl ZINC000180853984 821496194 /nfs/dbraw/zinc/49/61/94/821496194.db2.gz WKGSRSZMQZKKKK-UHFFFAOYSA-N 1 0 388.943 4.028 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@@H](C)c1ccc2c(c1)OCO2 ZINC000043993310 821498677 /nfs/dbraw/zinc/49/86/77/821498677.db2.gz MDYKUWLTEPKUHX-INIZCTEOSA-N 1 0 399.491 4.019 20 0 GIADRO Cc1ccc(CN(C(=O)C[NH2+][C@H](C)c2ccc(-c3ccncc3)cc2)C2CC2)o1 ZINC000180885808 821513352 /nfs/dbraw/zinc/51/33/52/821513352.db2.gz UNSVDZIXJOKIDI-GOSISDBHSA-N 1 0 389.499 4.492 20 0 GIADRO C[C@@H]([NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1)c1ccc(-c2ccncc2)cc1 ZINC000180892240 821519316 /nfs/dbraw/zinc/51/93/16/821519316.db2.gz CGLGPNQYHPORMC-OAHLLOKOSA-N 1 0 390.874 4.261 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1)C(=O)NC(=O)Nc1ccccc1 ZINC000180894599 821520587 /nfs/dbraw/zinc/52/05/87/821520587.db2.gz KIGAVFCVHVWSGX-DLBZAZTESA-N 1 0 388.471 4.136 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc(-c2ccncc2)cc1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000180899328 821523695 /nfs/dbraw/zinc/52/36/95/821523695.db2.gz DSRUVSBECJTUDN-HZPDHXFCSA-N 1 0 389.455 4.155 20 0 GIADRO CCOc1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccc(-c3ccncc3)cc2)cc1 ZINC000180904242 821527099 /nfs/dbraw/zinc/52/70/99/821527099.db2.gz BOEYDMULSIFDOT-GCJKJVERSA-N 1 0 392.499 4.238 20 0 GIADRO CCOc1ccc(OC[C@H](O)C[NH2+][C@H](C)c2ccc(-c3ccncc3)cc2)cc1 ZINC000180904226 821527259 /nfs/dbraw/zinc/52/72/59/821527259.db2.gz BOEYDMULSIFDOT-XMSQKQJNSA-N 1 0 392.499 4.238 20 0 GIADRO COC(=O)COc1cccc(C[NH2+][C@@H]2CCCOc3c(C)cc(Cl)cc32)c1 ZINC000180908769 821530261 /nfs/dbraw/zinc/53/02/61/821530261.db2.gz KSHDHENUSXKJQX-LJQANCHMSA-N 1 0 389.879 4.204 20 0 GIADRO COC(=O)COc1cccc(C[NH2+][C@@H](C)[C@H](C)c2nc3ccccc3s2)c1 ZINC000180909239 821530414 /nfs/dbraw/zinc/53/04/14/821530414.db2.gz VZGDVVDEZAKNGS-GJZGRUSLSA-N 1 0 384.501 4.130 20 0 GIADRO CC[NH+](CC)CCOc1ccc(CNC(=S)Nc2ccc(C(C)=O)cc2)cc1 ZINC000044158451 821538349 /nfs/dbraw/zinc/53/83/49/821538349.db2.gz WOUGKBHUYYKJOS-UHFFFAOYSA-N 1 0 399.560 4.096 20 0 GIADRO CC(C)[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)c1nc(C2CC2)no1 ZINC000180922507 821539230 /nfs/dbraw/zinc/53/92/30/821539230.db2.gz FGMGEWUKEDQEKP-HMQMGEFJSA-N 1 0 390.528 4.164 20 0 GIADRO O=C(NCCC[NH2+][C@H](c1ccccc1)c1ccc(OC(F)F)cc1)C1CCC1 ZINC000180930753 821544055 /nfs/dbraw/zinc/54/40/55/821544055.db2.gz MBXSEQQTESLNQT-HXUWFJFHSA-N 1 0 388.458 4.273 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCc2sccc2C1)c1ccc(-c2ccncc2)cc1 ZINC000180930323 821544142 /nfs/dbraw/zinc/54/41/42/821544142.db2.gz LSRYZYLJLZVTKI-SJORKVTESA-N 1 0 391.540 4.434 20 0 GIADRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)Nc2cnn(C(C)(C)C)c2)CC1 ZINC000180931345 821544773 /nfs/dbraw/zinc/54/47/73/821544773.db2.gz HSGWQNRTZXLXIP-UHFFFAOYSA-N 1 0 383.540 4.014 20 0 GIADRO Cc1cc(C)c(NC(=S)NCc2cccc(OCC[NH+](C)C)c2)c(Cl)c1 ZINC000044222773 821550069 /nfs/dbraw/zinc/55/00/69/821550069.db2.gz LKPAIOQVENZLAW-UHFFFAOYSA-N 1 0 391.968 4.384 20 0 GIADRO C[NH+](C)CCOc1cccc(CNC(=S)Nc2ccc3ccccc3c2)c1 ZINC000044222785 821550108 /nfs/dbraw/zinc/55/01/08/821550108.db2.gz YOJLVLTVTYUHDT-UHFFFAOYSA-N 1 0 379.529 4.267 20 0 GIADRO C[NH+](C)CCOc1cccc(CNC(=S)Nc2ccc(Cl)cc2Cl)c1 ZINC000044222816 821550125 /nfs/dbraw/zinc/55/01/25/821550125.db2.gz LOPJKEZQCDDKBL-UHFFFAOYSA-N 1 0 398.359 4.420 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1ccc(F)cc1F)c1ccc(OCC(F)(F)F)cc1 ZINC000180947924 821552286 /nfs/dbraw/zinc/55/22/86/821552286.db2.gz QPGYOTCPOJGZEF-NSHDSACASA-N 1 0 388.336 4.195 20 0 GIADRO Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000180958228 821556582 /nfs/dbraw/zinc/55/65/82/821556582.db2.gz GHOBZRYLORHTAD-GFCCVEGCSA-N 1 0 382.291 4.028 20 0 GIADRO CCCCOc1ccc(CNC(=O)Nc2cccc(C[NH+](C)C)c2)cc1OC ZINC000044276607 821557688 /nfs/dbraw/zinc/55/76/88/821557688.db2.gz GBXKLFIVHKMJIN-UHFFFAOYSA-N 1 0 385.508 4.257 20 0 GIADRO CS(=O)(=O)c1cccc([C@H]([NH2+][C@@H]2CCOC3(CCCC3)C2)c2ccccc2)c1 ZINC000180962446 821558320 /nfs/dbraw/zinc/55/83/20/821558320.db2.gz QXPMREFUCKAGII-IFMALSPDSA-N 1 0 399.556 4.261 20 0 GIADRO CCc1nc2ccccc2n1C1CC[NH+](C[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC000180963036 821559199 /nfs/dbraw/zinc/55/91/99/821559199.db2.gz YLAHPVWSFLFGBH-OAQYLSRUSA-N 1 0 385.458 4.247 20 0 GIADRO C[C@@H](NC(=O)C[NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1)c1ccccc1 ZINC000180965195 821560024 /nfs/dbraw/zinc/56/00/24/821560024.db2.gz OECARIBDTVXSDG-LSDHHAIUSA-N 1 0 380.410 4.156 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccccc1)c1ccc(OCC(F)(F)F)cc1 ZINC000180965215 821560140 /nfs/dbraw/zinc/56/01/40/821560140.db2.gz OECARIBDTVXSDG-CABCVRRESA-N 1 0 380.410 4.156 20 0 GIADRO CCOc1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000180965132 821560284 /nfs/dbraw/zinc/56/02/84/821560284.db2.gz HSKZDBZFRKTKES-AWEZNQCLSA-N 1 0 396.409 4.316 20 0 GIADRO COc1ccc(C(=O)N2CCC([NH2+][C@@H](C)c3cc(C)cc(C)c3)CC2)cc1OC ZINC000180969716 821563196 /nfs/dbraw/zinc/56/31/96/821563196.db2.gz MBVRVUYUJFUQIJ-SFHVURJKSA-N 1 0 396.531 4.276 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccccc2OC2CCC2)cc1 ZINC000180972795 821565455 /nfs/dbraw/zinc/56/54/55/821565455.db2.gz SNZKDZVOIGDZIS-MRXNPFEDSA-N 1 0 388.533 4.230 20 0 GIADRO O=C(Nc1cc(F)c(N2CCCCC2)c(F)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000180972768 821565575 /nfs/dbraw/zinc/56/55/75/821565575.db2.gz OKGAATNCOLXADY-UHFFFAOYSA-N 1 0 392.494 4.047 20 0 GIADRO COc1ccc([C@H](CNC(=O)CCc2ccc(Cl)s2)[NH+]2CCCC2)cc1 ZINC000044308439 821565608 /nfs/dbraw/zinc/56/56/08/821565608.db2.gz HPZKNHVOZXVQTI-SFHVURJKSA-N 1 0 392.952 4.296 20 0 GIADRO COc1ccc(C(=O)N2CCC([NH2+][C@@H](C)c3cccc(C)c3C)CC2)cc1OC ZINC000180972173 821565611 /nfs/dbraw/zinc/56/56/11/821565611.db2.gz ZPLXMKGFIGIVRZ-SFHVURJKSA-N 1 0 396.531 4.276 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1cccc(OCC(F)(F)F)c1)c1cccc(F)c1 ZINC000044310402 821567028 /nfs/dbraw/zinc/56/70/28/821567028.db2.gz DWNNAOYYEBRQMW-QGZVFWFLSA-N 1 0 399.388 4.191 20 0 GIADRO CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000180981280 821571695 /nfs/dbraw/zinc/57/16/95/821571695.db2.gz DIARDXZIAUFTIB-QUJCMNEKSA-N 1 0 399.915 4.309 20 0 GIADRO COc1ccc(NC(=O)NCc2cccc(C[NH+](C)C)c2)cc1OC1CCCC1 ZINC000044334536 821572330 /nfs/dbraw/zinc/57/23/30/821572330.db2.gz LPXZAXACVCXTQY-UHFFFAOYSA-N 1 0 397.519 4.400 20 0 GIADRO CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000180981579 821572413 /nfs/dbraw/zinc/57/24/13/821572413.db2.gz HJIUQLPEXSCZGD-NJSLBKSFSA-N 1 0 396.940 4.138 20 0 GIADRO CC(C)C[NH+]1CCC(NC(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000044367593 821579100 /nfs/dbraw/zinc/57/91/00/821579100.db2.gz MERSPLWXSZQFOJ-UHFFFAOYSA-N 1 0 386.462 4.013 20 0 GIADRO CC1CC[NH+](CCCNC(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000044368255 821579236 /nfs/dbraw/zinc/57/92/36/821579236.db2.gz RHAGHKBYFZAEQV-UHFFFAOYSA-N 1 0 386.462 4.015 20 0 GIADRO CCC(CC)n1nc(C)cc1C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000180996696 821583073 /nfs/dbraw/zinc/58/30/73/821583073.db2.gz AKBYFMCYQFUDSR-IBGZPJMESA-N 1 0 382.552 4.289 20 0 GIADRO CC(C)(C)[NH+]1CCC(NC(=O)Nc2cc(F)c(N3CCCCC3)c(F)c2)CC1 ZINC000181001654 821585590 /nfs/dbraw/zinc/58/55/90/821585590.db2.gz LFXLQTGRWQICGK-UHFFFAOYSA-N 1 0 394.510 4.340 20 0 GIADRO C[C@@H]([NH2+]CCc1nc(-c2ccccn2)cs1)c1ccc2c(c1)OCCCO2 ZINC000181007065 821589263 /nfs/dbraw/zinc/58/92/63/821589263.db2.gz SWVQMBRXUVTXCC-OAHLLOKOSA-N 1 0 381.501 4.260 20 0 GIADRO CC[C@H]([NH2+]CCc1nc(-c2ccccn2)cs1)c1ccc2c(c1)OCCO2 ZINC000181009365 821590908 /nfs/dbraw/zinc/59/09/08/821590908.db2.gz UPDRHACISAFYKB-INIZCTEOSA-N 1 0 381.501 4.260 20 0 GIADRO CC(C)(CNC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1)[N@@H+]1CCc2ccccc2C1 ZINC000044487259 821592693 /nfs/dbraw/zinc/59/26/93/821592693.db2.gz OPMFFPGXSBSNLO-FUHWJXTLSA-N 1 0 382.470 4.308 20 0 GIADRO Cc1cccc(C[NH2+][C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)c1O ZINC000181014750 821594134 /nfs/dbraw/zinc/59/41/34/821594134.db2.gz CDIZNCNHERQBRU-SFHVURJKSA-N 1 0 392.421 4.000 20 0 GIADRO Cc1c(C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)oc2c1C(=O)CCC2 ZINC000044535933 821600914 /nfs/dbraw/zinc/60/09/14/821600914.db2.gz AGXCWNVZUNBVDT-UHFFFAOYSA-N 1 0 394.515 4.269 20 0 GIADRO Cc1c(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)oc2c1C(=O)CCC2 ZINC000044552630 821607762 /nfs/dbraw/zinc/60/77/62/821607762.db2.gz GFIGKAQVBWSNIF-MRXNPFEDSA-N 1 0 394.515 4.269 20 0 GIADRO O=C(NCc1ccc(Cl)cc1Cl)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000181084994 821625211 /nfs/dbraw/zinc/62/52/11/821625211.db2.gz RCPRVBDBVATTTD-UHFFFAOYSA-N 1 0 393.318 4.104 20 0 GIADRO C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[N@H+](C)CCCn1ccnc1 ZINC000181100521 821631890 /nfs/dbraw/zinc/63/18/90/821631890.db2.gz DIRPJPFEUWKNNL-GOSISDBHSA-N 1 0 378.476 4.025 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2c(Cl)cccc2Cl)cc1NC(C)=O ZINC000181106660 821636339 /nfs/dbraw/zinc/63/63/39/821636339.db2.gz QHDXHFCLUFKULH-PIGZYNQJSA-N 1 0 397.302 4.345 20 0 GIADRO Cc1cc2ncc([C@@H](C)[NH2+]C[C@@H](O)c3c(Cl)cccc3Cl)c(C)n2n1 ZINC000181107821 821637412 /nfs/dbraw/zinc/63/74/12/821637412.db2.gz YIYRPQRXPQESGD-BDJLRTHQSA-N 1 0 379.291 4.037 20 0 GIADRO C[C@H](c1nc2ccccc2o1)[N@H+](C)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000181109105 821638072 /nfs/dbraw/zinc/63/80/72/821638072.db2.gz SZMDNBBEHRAZIF-HIFRSBDPSA-N 1 0 394.393 4.279 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1ccc2[nH]c(C(F)F)nc2c1)c1cccc(F)c1 ZINC000181108768 821638091 /nfs/dbraw/zinc/63/80/91/821638091.db2.gz XNZJTCORLJXQHT-MRXNPFEDSA-N 1 0 391.397 4.064 20 0 GIADRO CS(=O)(=O)C1CCC([NH2+][C@@H]2CCCc3c(Cl)sc(Cl)c32)CC1 ZINC000181116320 821642228 /nfs/dbraw/zinc/64/22/28/821642228.db2.gz GWVQDNDEAOWBBM-RTYFJBAXSA-N 1 0 382.378 4.378 20 0 GIADRO COc1ccc(C[C@H](C)C(=O)Nc2cc(C[NH+]3CCCC3)ccc2C)cc1OC ZINC000181117318 821642859 /nfs/dbraw/zinc/64/28/59/821642859.db2.gz YKNDZIDVQRHSDC-SFHVURJKSA-N 1 0 396.531 4.425 20 0 GIADRO CC[C@H]([NH2+]C1CCC(S(C)(=O)=O)CC1)c1ccc2cc(OC)ccc2c1 ZINC000181124464 821648363 /nfs/dbraw/zinc/64/83/63/821648363.db2.gz PQFTYWKQBBEJBZ-MNLRITNHSA-N 1 0 375.534 4.245 20 0 GIADRO COc1cccc([C@@H](CNC(=O)c2ccc(COC(C)C)cc2)[NH+]2CCCC2)c1 ZINC000044721798 821649166 /nfs/dbraw/zinc/64/91/66/821649166.db2.gz OHLVQOAMIDDMDA-HSZRJFAPSA-N 1 0 396.531 4.187 20 0 GIADRO C[C@@H]([NH2+]CCCOC1CCOCC1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000181129266 821650401 /nfs/dbraw/zinc/65/04/01/821650401.db2.gz GWCBWJPXIAQRPW-XLIONFOSSA-N 1 0 395.515 4.010 20 0 GIADRO Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+]CCCOC1CCOCC1 ZINC000181130574 821651741 /nfs/dbraw/zinc/65/17/41/821651741.db2.gz VMQVBAHXIABSDA-CQSZACIVSA-N 1 0 378.513 4.494 20 0 GIADRO C[NH+]1CCN(c2ccc(NC(=O)/C=C/c3cccs3)c(C(F)(F)F)c2)CC1 ZINC000044796798 821664393 /nfs/dbraw/zinc/66/43/93/821664393.db2.gz NXPBNWHOKUDZJB-FNORWQNLSA-N 1 0 395.450 4.171 20 0 GIADRO CC[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(OC)c(OC)c1 ZINC000044856758 821672935 /nfs/dbraw/zinc/67/29/35/821672935.db2.gz BEWFGIVCMDZWJT-NHCUHLMSSA-N 1 0 396.531 4.183 20 0 GIADRO CC[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(OC)c(OC)c1 ZINC000044856759 821672955 /nfs/dbraw/zinc/67/29/55/821672955.db2.gz BEWFGIVCMDZWJT-SFTDATJTSA-N 1 0 396.531 4.183 20 0 GIADRO O=S1(=O)CC[C@@H](C[NH2+]Cc2cccc(Oc3cccc(C(F)(F)F)c3)c2)C1 ZINC000044863160 821673715 /nfs/dbraw/zinc/67/37/15/821673715.db2.gz YCRISBIFDCSASQ-HNNXBMFYSA-N 1 0 399.434 4.022 20 0 GIADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]2C[C@@H]2C)c1 ZINC000181164057 821673792 /nfs/dbraw/zinc/67/37/92/821673792.db2.gz KEVJKWFLOCZKCH-AFHBHXEDSA-N 1 0 392.952 4.296 20 0 GIADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H](c2ccc(Cl)cc2)[C@H]2C[C@@H]2C)c1 ZINC000181164019 821673849 /nfs/dbraw/zinc/67/38/49/821673849.db2.gz KEVJKWFLOCZKCH-WZBLMQSHSA-N 1 0 392.952 4.296 20 0 GIADRO COC[C@H]([NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C)C(C)C ZINC000181167341 821675230 /nfs/dbraw/zinc/67/52/30/821675230.db2.gz JOHKRCLKDYXMJR-FCHUYYIVSA-N 1 0 389.561 4.057 20 0 GIADRO COC(=O)c1cc2cc(C[NH2+][C@H](C[C@@H]3CCOC3)c3ccccc3)ccc2o1 ZINC000181181677 821681707 /nfs/dbraw/zinc/68/17/07/821681707.db2.gz QAYCJHCYHQJVKR-FXAWDEMLSA-N 1 0 379.456 4.477 20 0 GIADRO C[C@@H]([NH2+]C[C@H](C)Oc1ccccc1Cl)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000181182291 821682286 /nfs/dbraw/zinc/68/22/86/821682286.db2.gz OJZNBMJSZGMBAH-QWHCGFSZSA-N 1 0 385.888 4.001 20 0 GIADRO Cc1cc(Br)ccc1C[N@H+]1CCC[C@H](c2nncn2C(C)C)C1 ZINC000181183889 821683474 /nfs/dbraw/zinc/68/34/74/821683474.db2.gz TWOBGPXUNFSYFL-INIZCTEOSA-N 1 0 377.330 4.310 20 0 GIADRO O=C(C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1)Nc1ccc(F)c(Cl)c1 ZINC000181185435 821684205 /nfs/dbraw/zinc/68/42/05/821684205.db2.gz SGFFFPZTSYOHHV-AUUYWEPGSA-N 1 0 376.859 4.175 20 0 GIADRO CCC[NH+]1CCC(NC(=O)CCCCc2ccc(Br)cc2)CC1 ZINC000044984846 821685558 /nfs/dbraw/zinc/68/55/58/821685558.db2.gz KTWALTJBJLMXRO-UHFFFAOYSA-N 1 0 381.358 4.153 20 0 GIADRO COc1ccc(NC(=O)C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)cc1Cl ZINC000181192718 821688330 /nfs/dbraw/zinc/68/83/30/821688330.db2.gz MSDCRZLAIKBVFI-BEFAXECRSA-N 1 0 388.895 4.045 20 0 GIADRO Cc1ccc(CN(C(=O)C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)C2CC2)cc1 ZINC000181207859 821697694 /nfs/dbraw/zinc/69/76/94/821697694.db2.gz GNSHIVAWZRLMDP-URXFXBBRSA-N 1 0 392.543 4.244 20 0 GIADRO CCc1cc2c(C[NH2+][C@H](C[C@H]3CCOC3)c3ccccc3)cc(=O)oc2cc1O ZINC000181209176 821698424 /nfs/dbraw/zinc/69/84/24/821698424.db2.gz DIZQYGSTWSXTHQ-IIBYNOLFSA-N 1 0 393.483 4.319 20 0 GIADRO O=C(C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)Nc1cc(Cl)ccc1F ZINC000181216381 821702763 /nfs/dbraw/zinc/70/27/63/821702763.db2.gz KZTVOOSMBVDFMH-KBXCAEBGSA-N 1 0 376.859 4.175 20 0 GIADRO O=C(C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)Nc1cccc2c1N=S=N2 ZINC000181223368 821704856 /nfs/dbraw/zinc/70/48/56/821704856.db2.gz MHOQNFYTCUHQQE-KBXCAEBGSA-N 1 0 382.489 4.109 20 0 GIADRO Cc1ccc(C[C@H](C)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000181229576 821708040 /nfs/dbraw/zinc/70/80/40/821708040.db2.gz WMMSBIJOXUTSPL-RKCKCALGSA-N 1 0 376.544 4.485 20 0 GIADRO CC[C@@H](C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1)Oc1cccc(C)c1 ZINC000181240601 821714466 /nfs/dbraw/zinc/71/44/66/821714466.db2.gz FZRIGUUQKWFMSA-RDJZCZTQSA-N 1 0 379.497 4.046 20 0 GIADRO C[S@](=O)c1ccc(C[NH2+][C@H]2CCCOc3cc(Br)ccc32)cc1 ZINC000181246066 821717184 /nfs/dbraw/zinc/71/71/84/821717184.db2.gz FFKKRVOJLPEKHV-SBUREZEXSA-N 1 0 394.334 4.190 20 0 GIADRO CC(C)n1cc([C@H](C)[NH2+][C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cn1 ZINC000181252650 821719571 /nfs/dbraw/zinc/71/95/71/821719571.db2.gz AATZCVJRXNAHJV-SJCJKPOMSA-N 1 0 381.307 4.227 20 0 GIADRO CC(=O)N(c1nc(C[NH2+]CC[C@@H]2CCCCO2)cs1)c1ccc(F)cc1 ZINC000181261221 821722762 /nfs/dbraw/zinc/72/27/62/821722762.db2.gz GFHQADGKYJPSRB-SFHVURJKSA-N 1 0 377.485 4.016 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)Nc2ccc(N3CCCC3)nc2)CC1 ZINC000181269203 821725783 /nfs/dbraw/zinc/72/57/83/821725783.db2.gz LZGYJWUQQAZWOO-UHFFFAOYSA-N 1 0 387.572 4.048 20 0 GIADRO CC(C)c1nnc(NC(=O)C[NH2+][C@@H](C)c2ccc(-c3cccnc3)cc2)s1 ZINC000181277848 821731198 /nfs/dbraw/zinc/73/11/98/821731198.db2.gz GAMWKTRCEFBPNK-AWEZNQCLSA-N 1 0 381.505 4.013 20 0 GIADRO CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@@H](C)c2ccc(Cl)nc2)cc1 ZINC000181279601 821731663 /nfs/dbraw/zinc/73/16/63/821731663.db2.gz PFWJUKOCOFTMPX-HOTGVXAUSA-N 1 0 389.927 4.442 20 0 GIADRO COc1cccc(CNC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(-c3cccnc3)cc2)c1 ZINC000181295505 821740544 /nfs/dbraw/zinc/74/05/44/821740544.db2.gz UJIIHRRMUZCXHO-QZTJIDSGSA-N 1 0 389.499 4.113 20 0 GIADRO COc1ccccc1N1CC[C@@H]([NH2+][C@H](C)c2ccc(-c3cccnc3)cc2)C1=O ZINC000181298064 821741977 /nfs/dbraw/zinc/74/19/77/821741977.db2.gz JXIXEBNCHRXQPW-DYESRHJHSA-N 1 0 387.483 4.213 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1cccnc1 ZINC000181301575 821744051 /nfs/dbraw/zinc/74/40/51/821744051.db2.gz ZOSRDZWRAKXBNQ-SFHVURJKSA-N 1 0 397.482 4.224 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1cccc2ccccc21)c1cccc(N2CCOC2=O)c1 ZINC000181309437 821748441 /nfs/dbraw/zinc/74/84/41/821748441.db2.gz VLTFLZZGZFRNJT-MRXNPFEDSA-N 1 0 389.455 4.086 20 0 GIADRO CC(C)C[C@@H](CNC(=O)c1ccc(Br)cc1C(F)(F)F)[NH+](C)C ZINC000181313917 821752760 /nfs/dbraw/zinc/75/27/60/821752760.db2.gz JULNJZRPIWPXHI-LBPRGKRZSA-N 1 0 395.263 4.174 20 0 GIADRO COC(=O)c1cc2cc(C[NH2+][C@H](C)c3cccc(N4CCOC4=O)c3)ccc2o1 ZINC000181323406 821758988 /nfs/dbraw/zinc/75/89/88/821758988.db2.gz UVHNKRUFMOIQGA-CQSZACIVSA-N 1 0 394.427 4.027 20 0 GIADRO CCc1ccc(Cl)c(CC)c1NC(=O)CCC[N@H+](C)C[C@H](O)C(F)(F)F ZINC000181330955 821764008 /nfs/dbraw/zinc/76/40/08/821764008.db2.gz QEMVASMHOKWAHU-HNNXBMFYSA-N 1 0 394.865 4.039 20 0 GIADRO CCNC(=O)N1CC[C@H]([NH2+][C@@H](C)c2sc(-c3ccc(Cl)cc3)nc2C)C1 ZINC000181335371 821767103 /nfs/dbraw/zinc/76/71/03/821767103.db2.gz JCUKFGFATJVYQN-LRDDRELGSA-N 1 0 392.956 4.226 20 0 GIADRO COc1cccc2[nH]cc(CC[NH2+][C@@H](C)c3ccc(N4CCOC4=O)cc3)c21 ZINC000181337097 821768315 /nfs/dbraw/zinc/76/83/15/821768315.db2.gz HBRKPBPSYWHSGF-HNNXBMFYSA-N 1 0 379.460 4.026 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CCOc2ncc(Cl)cc2Cl)cc1NC(C)=O ZINC000181340998 821772329 /nfs/dbraw/zinc/77/23/29/821772329.db2.gz WELCUDOGLJDOIB-NSHDSACASA-N 1 0 398.290 4.085 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1)C(=O)Nc1ccccc1Cl ZINC000181361670 821787988 /nfs/dbraw/zinc/78/79/88/821787988.db2.gz NRWHHVXGBMGZID-LSDHHAIUSA-N 1 0 385.895 4.145 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+]Cc2cccc(NC(=O)C3CCC3)c2)s1 ZINC000181375688 821794501 /nfs/dbraw/zinc/79/45/01/821794501.db2.gz DEQIWYOFOBVZMV-CQSZACIVSA-N 1 0 387.549 4.230 20 0 GIADRO Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+]C1(c2ccc(F)cc2)CCCC1 ZINC000181379415 821795793 /nfs/dbraw/zinc/79/57/93/821795793.db2.gz MGLHYHWWVQFXHV-UHFFFAOYSA-N 1 0 387.499 4.150 20 0 GIADRO Cc1cccc(C)c1OC[C@@H]([NH2+]CC(=O)N(C)c1nccs1)c1ccccc1 ZINC000181382838 821797436 /nfs/dbraw/zinc/79/74/36/821797436.db2.gz WPSCNXCTXIMWBY-LJQANCHMSA-N 1 0 395.528 4.133 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+]Cc2cc(Br)cs2)s1 ZINC000181383603 821798081 /nfs/dbraw/zinc/79/80/81/821798081.db2.gz RIWJTZGMRCCKPF-VIFPVBQESA-N 1 0 375.357 4.315 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+]Cc2ccc(N3CCCCC3=O)cc2)s1 ZINC000181388598 821800352 /nfs/dbraw/zinc/80/03/52/821800352.db2.gz GHICSMBUZJQHBJ-HNNXBMFYSA-N 1 0 387.549 4.008 20 0 GIADRO OC[C@H]([NH2+][C@@H]1CCSc2c(F)cccc21)c1cccc(Br)c1 ZINC000181392328 821802452 /nfs/dbraw/zinc/80/24/52/821802452.db2.gz ROASBSPMJMMQAT-CVEARBPZSA-N 1 0 382.298 4.448 20 0 GIADRO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)cc1C ZINC000181392898 821803046 /nfs/dbraw/zinc/80/30/46/821803046.db2.gz HYRCILLSFNIUFZ-ROUUACIJSA-N 1 0 379.504 4.108 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)s1 ZINC000181393708 821804085 /nfs/dbraw/zinc/80/40/85/821804085.db2.gz UNIVQFJMOKCLIJ-KGLIPLIRSA-N 1 0 389.521 4.009 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CN(c3ccccc3)C(=O)O2)cc1OCC ZINC000181397081 821805891 /nfs/dbraw/zinc/80/58/91/821805891.db2.gz MKYRGUBZSASHBN-LPHOPBHVSA-N 1 0 384.476 4.160 20 0 GIADRO COc1cccc2cc([C@@H](C)[NH2+]C[C@H](c3cccs3)N3CCOCC3)oc21 ZINC000181398158 821806392 /nfs/dbraw/zinc/80/63/92/821806392.db2.gz HDNLZRMATFKRMI-NVXWUHKLSA-N 1 0 386.517 4.227 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)s1 ZINC000181398851 821806569 /nfs/dbraw/zinc/80/65/69/821806569.db2.gz NLOJZYFOUCCBLY-VLIAUNLRSA-N 1 0 388.533 4.214 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1Cl)c1cccc(N2CCCC2=O)c1 ZINC000181417736 821815408 /nfs/dbraw/zinc/81/54/08/821815408.db2.gz OWYLBNCSLZFWJB-CABCVRRESA-N 1 0 385.895 4.145 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+]CC2(N3CCSCC3)CCCCC2)s1 ZINC000181417906 821815722 /nfs/dbraw/zinc/81/57/22/821815722.db2.gz DXJHWKQQCRPJEI-MRXNPFEDSA-N 1 0 397.654 4.043 20 0 GIADRO Cc1ccc2c(C[NH2+][C@@H](C)c3cccc(N4CCCC4=O)c3)cc(=O)oc2c1 ZINC000181420198 821816718 /nfs/dbraw/zinc/81/67/18/821816718.db2.gz JYHBYEASLAMONM-INIZCTEOSA-N 1 0 376.456 4.079 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+]C[C@H]2CCCN(C)[C@@H]2c2cccs2)s1 ZINC000181425600 821819968 /nfs/dbraw/zinc/81/99/68/821819968.db2.gz XOMMBZLRLXUYNY-GMBSWORKSA-N 1 0 393.622 4.436 20 0 GIADRO Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2ccc(OC(F)F)cc2OC(F)F)[nH]n1 ZINC000181426192 821820585 /nfs/dbraw/zinc/82/05/85/821820585.db2.gz FDSBDXMDDWATIP-KOLCDFICSA-N 1 0 375.366 4.203 20 0 GIADRO COc1ccc(-c2ncc(C(=O)N[C@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)s2)cc1 ZINC000181433604 821825270 /nfs/dbraw/zinc/82/52/70/821825270.db2.gz UHNNQAAWJIOJER-NVXWUHKLSA-N 1 0 399.560 4.202 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+]Cc2ccccc2-n2nc(C)cc2C)s1 ZINC000181435178 821825780 /nfs/dbraw/zinc/82/57/80/821825780.db2.gz PXQQPSZWMCKYJB-INIZCTEOSA-N 1 0 384.549 4.294 20 0 GIADRO COc1ccccc1[C@@H](NC1CC[NH+](Cc2ccccn2)CC1)c1ccco1 ZINC000181434805 821825875 /nfs/dbraw/zinc/82/58/75/821825875.db2.gz GGOIHIYUHREVJQ-HSZRJFAPSA-N 1 0 377.488 4.027 20 0 GIADRO Cc1cc(Cl)ccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181442329 821828428 /nfs/dbraw/zinc/82/84/28/821828428.db2.gz MAXOJTZGXFSDBB-HOTGVXAUSA-N 1 0 399.922 4.453 20 0 GIADRO CC[C@H]([NH2+]Cc1ccc(NC(N)=O)cc1)c1cc(F)cc(Br)c1 ZINC000181457829 821834786 /nfs/dbraw/zinc/83/47/86/821834786.db2.gz ZQMJNHDKPRUAOG-INIZCTEOSA-N 1 0 380.261 4.320 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(Br)cc1N1CCOCC1)c1cccc(F)c1 ZINC000181459613 821835906 /nfs/dbraw/zinc/83/59/06/821835906.db2.gz UHNVCSCLSPQJBO-CQSZACIVSA-N 1 0 393.300 4.276 20 0 GIADRO Cc1ccc(Cl)c(O[C@H](C)C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000181469528 821840906 /nfs/dbraw/zinc/84/09/06/821840906.db2.gz GWQKOJKCIHARAT-BRWVUGGUSA-N 1 0 378.944 4.185 20 0 GIADRO CCCNC(=O)CN1CCC([NH2+][C@H](C)c2cc3c(ccc4ccccc34)o2)CC1 ZINC000181486650 821848025 /nfs/dbraw/zinc/84/80/25/821848025.db2.gz WEUQQTRZEFRFHN-QGZVFWFLSA-N 1 0 393.531 4.227 20 0 GIADRO CN(C)S(=O)(=O)c1cccc(C[NH2+][C@H](c2ccccc2F)C2CCCC2)c1 ZINC000181494597 821852274 /nfs/dbraw/zinc/85/22/74/821852274.db2.gz QALPIBDGTJLGCK-NRFANRHFSA-N 1 0 390.524 4.097 20 0 GIADRO COc1ccc([C@@H]2CCCCCN2C(=O)C[NH2+][C@@H](C)c2cccc(O)c2)cc1 ZINC000181507911 821858819 /nfs/dbraw/zinc/85/88/19/821858819.db2.gz MBNQXUFSJAZEFN-JTSKRJEESA-N 1 0 382.504 4.195 20 0 GIADRO COc1ccc([C@H]2CCCCCN2C(=O)C[NH2+][C@@H](C)c2cccc(O)c2)cc1 ZINC000181507881 821858957 /nfs/dbraw/zinc/85/89/57/821858957.db2.gz MBNQXUFSJAZEFN-HTAPYJJXSA-N 1 0 382.504 4.195 20 0 GIADRO Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)n(-c2ccccc2)n1 ZINC000181530561 821868706 /nfs/dbraw/zinc/86/87/06/821868706.db2.gz MFAVSUPBLHLCEW-HKUYNNGSSA-N 1 0 386.503 4.043 20 0 GIADRO C[C@H](c1ccccc1)[C@H](C)[NH2+]CC(=O)N[C@H](c1nccs1)c1ccccc1 ZINC000181534043 821870764 /nfs/dbraw/zinc/87/07/64/821870764.db2.gz DAHVDUYRYHUVLO-FIKGOQFSSA-N 1 0 379.529 4.131 20 0 GIADRO C[C@H]([NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1)[C@H](O)Cc1ccccc1 ZINC000181552329 821877723 /nfs/dbraw/zinc/87/77/23/821877723.db2.gz URNFEOWCARHSSK-KSFYIVLOSA-N 1 0 390.930 4.025 20 0 GIADRO Cc1cccc(Cc2cnc(NC(=O)C[NH2+][C@H](C)c3cccc(O)c3)s2)c1 ZINC000181558219 821880636 /nfs/dbraw/zinc/88/06/36/821880636.db2.gz HKVOSZLLIOYORB-OAHLLOKOSA-N 1 0 381.501 4.037 20 0 GIADRO OCC1(C[NH2+][C@@H](CCSc2ccccc2)c2ccc(F)cc2)CCOCC1 ZINC000181565536 821883143 /nfs/dbraw/zinc/88/31/43/821883143.db2.gz VQOGWMRWVMEXFZ-NRFANRHFSA-N 1 0 389.536 4.428 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]Cc2ccccc2-n2ccnc2)c(Br)c1 ZINC000181568688 821883601 /nfs/dbraw/zinc/88/36/01/821883601.db2.gz QEVKMNRSRDQRMX-CQSZACIVSA-N 1 0 386.293 4.494 20 0 GIADRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+]CC1(CO)CCOCC1 ZINC000181567872 821883784 /nfs/dbraw/zinc/88/37/84/821883784.db2.gz HXKJXNQAOYKSJS-ZDUSSCGKSA-N 1 0 380.941 4.212 20 0 GIADRO COc1cccc2cc([C@@H](C)[NH2+]Cc3cccc(NC(=O)[C@H]4CCCO4)c3)oc21 ZINC000181572813 821884923 /nfs/dbraw/zinc/88/49/23/821884923.db2.gz FWKYEXXDAGRMTH-FOIQADDNSA-N 1 0 394.471 4.410 20 0 GIADRO C[C@@H](NC(=O)C[NH2+][C@H](C)c1ccc(OCC2CC2)c(F)c1)c1cccs1 ZINC000181575289 821886191 /nfs/dbraw/zinc/88/61/91/821886191.db2.gz IXJRSYXCDRQWDP-ZIAGYGMSSA-N 1 0 376.497 4.204 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1ccc(Br)cc1Cl)c1cccc(O)c1 ZINC000181582448 821888830 /nfs/dbraw/zinc/88/88/30/821888830.db2.gz LAFQPCOHZJCYAM-JTQLQIEISA-N 1 0 383.673 4.097 20 0 GIADRO C[C@H]([NH2+]C1CCN([C@@H](C)c2ccncc2)CC1)c1cnn(Cc2ccccc2)c1 ZINC000181586085 821891063 /nfs/dbraw/zinc/89/10/63/821891063.db2.gz BOZCJSBBWQSLJK-PMACEKPBSA-N 1 0 389.547 4.203 20 0 GIADRO COc1cc(C)c([C@H](C)[NH2+]C2CCN([C@@H](C)c3ccncc3)CC2)cc1OC ZINC000181593700 821894648 /nfs/dbraw/zinc/89/46/48/821894648.db2.gz HCCNQYKUMHQXGB-ROUUACIJSA-N 1 0 383.536 4.283 20 0 GIADRO O=C1[C@H]([NH2+][C@@H](Cc2cccc(F)c2)c2cccc(F)c2)CCN1CC(F)(F)F ZINC000181594660 821895135 /nfs/dbraw/zinc/89/51/35/821895135.db2.gz RTAHDNZCKJWUMY-MSOLQXFVSA-N 1 0 398.375 4.001 20 0 GIADRO CC[C@@H](C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(OC)cc1 ZINC000181602396 821898445 /nfs/dbraw/zinc/89/84/45/821898445.db2.gz HDLVMGXYUOEVMK-HSZRJFAPSA-N 1 0 395.547 4.349 20 0 GIADRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)Nc1ccc(COCc2ccccc2)cc1 ZINC000181610234 821902174 /nfs/dbraw/zinc/90/21/74/821902174.db2.gz QOSVFEMXNFHFLY-QFIPXVFZSA-N 1 0 381.520 4.207 20 0 GIADRO CN(C)S(=O)(=O)c1ccc(C[NH2+][C@H](c2ccc(F)cc2F)C(C)(C)C)cc1 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C[C@H]([NH2+]CC1CCC(C(F)(F)F)CC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000178215881 822354552 /nfs/dbraw/zinc/35/45/52/822354552.db2.gz LKKDJHJECGHWSP-DCBWTQNWSA-N 1 0 381.435 4.249 20 0 GIADRO COc1ccccc1N1CCC([NH2+][C@@H](C)c2ccc3c(c2)OCCCO3)CC1 ZINC000178230229 822356681 /nfs/dbraw/zinc/35/66/81/822356681.db2.gz KNHZWWGFYJQFPJ-KRWDZBQOSA-N 1 0 382.504 4.176 20 0 GIADRO COc1ccccc1N1CCC([NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000178231949 822356978 /nfs/dbraw/zinc/35/69/78/822356978.db2.gz UEDOWHANVBDQEY-GOSISDBHSA-N 1 0 393.531 4.142 20 0 GIADRO COc1ccc([C@H]2CCCN2C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000045026998 822358102 /nfs/dbraw/zinc/35/81/02/822358102.db2.gz GDCRFNWBHZORGT-HSZRJFAPSA-N 1 0 393.531 4.206 20 0 GIADRO C[C@H](C(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccc(Cl)s1 ZINC000178248002 822358295 /nfs/dbraw/zinc/35/82/95/822358295.db2.gz CAIUIIGNAPUMOG-XHSDSOJGSA-N 1 0 399.000 4.243 20 0 GIADRO COc1ccc(C[N@@H+]2CCCN(C(=O)CCc3ccc(Cl)s3)CC2)cc1 ZINC000045033978 822358495 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387.524 4.179 20 0 GIADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1ccccc1NC(=O)OCc1ccccc1 ZINC000182735586 822359745 /nfs/dbraw/zinc/35/97/45/822359745.db2.gz UMCHTFISNCRRIY-SFHVURJKSA-N 1 0 395.503 4.040 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)c1sc(C)nc1C)c1ccccc1OCC(=O)N(C)C ZINC000178259307 822360046 /nfs/dbraw/zinc/36/00/46/822360046.db2.gz BUPRLJRQSXQWOX-YOEHRIQHSA-N 1 0 375.538 4.029 20 0 GIADRO C[C@@H]1C[NH+](CCC2CCN(C(=O)CCc3ccc(Cl)cc3)CC2)C[C@@H](C)O1 ZINC000178261524 822360312 /nfs/dbraw/zinc/36/03/12/822360312.db2.gz LJBNEZDOZOFDML-QZTJIDSGSA-N 1 0 392.971 4.011 20 0 GIADRO C[C@H]([NH3+])c1ccc(NC(=O)c2nc(C3CC3)n(-c3ccccc3Cl)n2)cc1 ZINC000178261855 822360459 /nfs/dbraw/zinc/36/04/59/822360459.db2.gz LBFQAVAFZUXRSU-LBPRGKRZSA-N 1 0 381.867 4.070 20 0 GIADRO C[C@H]([NH3+])c1ccc(NC(=O)[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)cc1 ZINC000178262876 822360531 /nfs/dbraw/zinc/36/05/31/822360531.db2.gz YEUFMLSTYWPQQR-WCQYABFASA-N 1 0 392.286 4.005 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1[nH]c2ccc(F)cc2c1Cl)c1cccc(F)c1 ZINC000045080061 822361463 /nfs/dbraw/zinc/36/14/63/822361463.db2.gz AVYNIHSFOSBLCX-MRXNPFEDSA-N 1 0 377.822 4.132 20 0 GIADRO CCc1c(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cnn1C(C)(C)C ZINC000045082954 822361720 /nfs/dbraw/zinc/36/17/20/822361720.db2.gz OGMMKUWZMTUSIB-UHFFFAOYSA-N 1 0 382.552 4.116 20 0 GIADRO O=C(c1csc(-c2ccc(Cl)cc2)n1)N1CC[NH+](C2CCCC2)CC1 ZINC000045085082 822361850 /nfs/dbraw/zinc/36/18/50/822361850.db2.gz DNAJWJZIKXPAMD-UHFFFAOYSA-N 1 0 375.925 4.164 20 0 GIADRO CCOc1ccc([C@H](C)NC(=O)C[NH2+][C@@H](C)c2cc(C)sc2C)cc1OC ZINC000182755722 822362736 /nfs/dbraw/zinc/36/27/36/822362736.db2.gz ZDYJVNZJCKPNIR-GJZGRUSLSA-N 1 0 390.549 4.300 20 0 GIADRO C[C@H]([NH2+]C[C@@H]1CCOC(C)(C)C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000453438999 822363102 /nfs/dbraw/zinc/36/31/02/822363102.db2.gz VQBAIYDMOHHACX-DLBZAZTESA-N 1 0 379.566 4.259 20 0 GIADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](Cc2ccccc2)c2ccccc2)cc1 ZINC000178297657 822364590 /nfs/dbraw/zinc/36/45/90/822364590.db2.gz FBLOQGKVMAPURN-MBSDFSHPSA-N 1 0 394.540 4.229 20 0 GIADRO Cc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@H]2C[C@@H]4CCCCN4C2=O)CCC3)cc1 ZINC000453450329 822365320 /nfs/dbraw/zinc/36/53/20/822365320.db2.gz QPQBYVGOCXHNRU-SCTDSRPQSA-N 1 0 381.545 4.239 20 0 GIADRO Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000182772817 822365455 /nfs/dbraw/zinc/36/54/55/822365455.db2.gz QMTYKQXWLJBQOW-RZUBCFFCSA-N 1 0 395.551 4.099 20 0 GIADRO CCn1c([C@@H]2CCCCO2)nnc1N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000453451751 822365708 /nfs/dbraw/zinc/36/57/08/822365708.db2.gz PBCLSPRSGDRURV-QUCCMNQESA-N 1 0 389.588 4.021 20 0 GIADRO CCC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CC)CC[N@@H+]1Cc1ccccc1 ZINC000453452590 822365963 /nfs/dbraw/zinc/36/59/63/822365963.db2.gz PYJXWRNWUYKYEV-RTWAWAEBSA-N 1 0 397.567 4.031 20 0 GIADRO C[C@@H](NC(=O)NCc1ccccc1N1CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182782003 822366648 /nfs/dbraw/zinc/36/66/48/822366648.db2.gz HJBDJTRNJLHHLA-TZIWHRDSSA-N 1 0 398.595 4.129 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1cccn1C1CCCC1 ZINC000182783680 822367064 /nfs/dbraw/zinc/36/70/64/822367064.db2.gz ASFAGHMKKBLWJG-UHFFFAOYSA-N 1 0 380.536 4.377 20 0 GIADRO COCCN1CCC([NH2+][C@H](c2ccccc2)c2ccc(OC(F)F)cc2)CC1 ZINC000178327311 822367537 /nfs/dbraw/zinc/36/75/37/822367537.db2.gz LHEJRJXTFGMPGM-OAQYLSRUSA-N 1 0 390.474 4.078 20 0 GIADRO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+][C@@H](C)c1nnnn1-c1ccccc1 ZINC000178341260 822368984 /nfs/dbraw/zinc/36/89/84/822368984.db2.gz VFVPNGAOUBZVRU-ILXRZTDVSA-N 1 0 378.505 4.115 20 0 GIADRO COCCN(Cc1ccccc1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000045192407 822369496 /nfs/dbraw/zinc/36/94/96/822369496.db2.gz DQZOUQCUCVAGAE-UHFFFAOYSA-N 1 0 395.547 4.031 20 0 GIADRO C[C@H](Nc1cccc(C[NH+]2CCSCC2)c1)c1cccc(N2CCOC2=O)c1 ZINC000182802313 822370141 /nfs/dbraw/zinc/37/01/41/822370141.db2.gz MMLSQZHBJHXQQP-KRWDZBQOSA-N 1 0 397.544 4.365 20 0 GIADRO C[C@@H](NC(=O)c1c[nH]nc1-c1ccc(Cl)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182821999 822373059 /nfs/dbraw/zinc/37/30/59/822373059.db2.gz NNDGZITXHYBIEP-GDBMZVCRSA-N 1 0 386.927 4.113 20 0 GIADRO COc1cc(C[NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)cc(OC)c1OC ZINC000178379294 822373220 /nfs/dbraw/zinc/37/32/20/822373220.db2.gz UIUQNJQCSHGHQS-INIZCTEOSA-N 1 0 397.393 4.388 20 0 GIADRO CCOc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(OC(F)F)c(OC)c1)CCO2 ZINC000178388961 822374401 /nfs/dbraw/zinc/37/44/01/822374401.db2.gz NUBGNDLBYYXHSU-MRXNPFEDSA-N 1 0 379.403 4.309 20 0 GIADRO COc1c(C)cc(CN(C)C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1C ZINC000182841831 822376673 /nfs/dbraw/zinc/37/66/73/822376673.db2.gz YSJLKNUJFBVPDB-UYAOXDASSA-N 1 0 387.568 4.106 20 0 GIADRO Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000178411155 822376768 /nfs/dbraw/zinc/37/67/68/822376768.db2.gz YYMHPTLQPJWTLD-AWEZNQCLSA-N 1 0 379.460 4.071 20 0 GIADRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)Nc1c(F)cc(Cl)cc1F ZINC000182845514 822377702 /nfs/dbraw/zinc/37/77/02/822377702.db2.gz NXGQRRCHZJFVKI-UHFFFAOYSA-N 1 0 385.817 4.353 20 0 GIADRO O=C(CCOc1ccc(F)cc1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000045314196 822378295 /nfs/dbraw/zinc/37/82/95/822378295.db2.gz XANJQUANRVKPHW-UHFFFAOYSA-N 1 0 390.886 4.029 20 0 GIADRO C[C@@H](NC(=O)N(C)Cc1ccccc1C(F)(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182849645 822378357 /nfs/dbraw/zinc/37/83/57/822378357.db2.gz MSBGOZMJZDPNMC-CVEARBPZSA-N 1 0 397.485 4.500 20 0 GIADRO O=C1CCCCN1C1CC[NH+](Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000178431301 822378359 /nfs/dbraw/zinc/37/83/59/822378359.db2.gz WUFNKKDDUONJEZ-UHFFFAOYSA-N 1 0 378.516 4.243 20 0 GIADRO Cc1ccc2c(C[N@@H+]3CCC[C@@H](n4ccc(C(F)(F)F)n4)C3)cc(=O)oc2c1 ZINC000182850286 822378723 /nfs/dbraw/zinc/37/87/23/822378723.db2.gz JGKYVUBIHJXLRJ-OAHLLOKOSA-N 1 0 391.393 4.154 20 0 GIADRO C[C@H]([NH2+]Cc1cc(F)cc(Br)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000178435209 822378832 /nfs/dbraw/zinc/37/88/32/822378832.db2.gz IHWUSNXHMSJMQC-NSHDSACASA-N 1 0 377.257 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822380617 /nfs/dbraw/zinc/38/06/17/822380617.db2.gz QUOHVAJXEMAMKD-UHFFFAOYSA-N 1 0 379.504 4.378 20 0 GIADRO Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000182860030 822380751 /nfs/dbraw/zinc/38/07/51/822380751.db2.gz HSLJNRHAMWOHQQ-UHFFFAOYSA-N 1 0 393.503 4.247 20 0 GIADRO CC(C)([NH3+])CC(=O)Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000178459603 822381110 /nfs/dbraw/zinc/38/11/10/822381110.db2.gz CGUDTHJRAARSIW-UHFFFAOYSA-N 1 0 379.382 4.024 20 0 GIADRO Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+][C@@H](C)C(=O)N1CCCCC1 ZINC000178463667 822381747 /nfs/dbraw/zinc/38/17/47/822381747.db2.gz NVPOJRIKKMICLB-ZFWWWQNUSA-N 1 0 375.513 4.309 20 0 GIADRO Cc1cccc([C@@H]2CCCN2C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)n1 ZINC000178478641 822383192 /nfs/dbraw/zinc/38/31/92/822383192.db2.gz QCCBQYZZQJJFRU-QFIPXVFZSA-N 1 0 392.547 4.073 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)N1C[C@H](C)C[C@H]1c1cccnc1 ZINC000182871687 822383235 /nfs/dbraw/zinc/38/32/35/822383235.db2.gz UIXDQXOXHGMHAA-GCJKJVERSA-N 1 0 380.536 4.216 20 0 GIADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N1CCCCC[C@H]1c1ccccc1 ZINC000178479621 822383534 /nfs/dbraw/zinc/38/35/34/822383534.db2.gz GCUNWBZMILUKBP-ZRBLBEILSA-N 1 0 399.579 4.081 20 0 GIADRO C[C@H](NC(=O)N1CCSC2(CCCCC2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182874214 822383787 /nfs/dbraw/zinc/38/37/87/822383787.db2.gz YQSSZLDMBKCWPN-ROUUACIJSA-N 1 0 379.614 4.101 20 0 GIADRO CCC[C@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(OC)cc1 ZINC000178487498 822384297 /nfs/dbraw/zinc/38/42/97/822384297.db2.gz TYWMXSMGJDJXRM-KKSFZXQISA-N 1 0 390.549 4.138 20 0 GIADRO CSc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1F ZINC000178487792 822384360 /nfs/dbraw/zinc/38/43/60/822384360.db2.gz ILJWTALOWNTFTM-KBPBESRZSA-N 1 0 396.553 4.210 20 0 GIADRO CCSc1ccccc1[C@@H](C)[NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000178487858 822384425 /nfs/dbraw/zinc/38/44/25/822384425.db2.gz MBYVYKICDFHROW-HZPDHXFCSA-N 1 0 392.590 4.461 20 0 GIADRO COc1ccc(Cl)cc1CN(C)C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182878398 822384602 /nfs/dbraw/zinc/38/46/02/822384602.db2.gz OJSWIDCCVYTEFH-JKSUJKDBSA-N 1 0 393.959 4.143 20 0 GIADRO C[C@H]1C[C@H](c2cccnc2)N(C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)C1 ZINC000182879130 822384673 /nfs/dbraw/zinc/38/46/73/822384673.db2.gz PFIUDUGMQSLWGW-PGRDOPGGSA-N 1 0 392.547 4.011 20 0 GIADRO Cc1cc(Br)c(C[NH2+][C@@H]2CCN(C(=O)C3CCCCC3)C2)s1 ZINC000453561903 822384930 /nfs/dbraw/zinc/38/49/30/822384930.db2.gz ACRNRWLAPOOFKJ-CQSZACIVSA-N 1 0 385.371 4.090 20 0 GIADRO Cc1cc(Br)c(C[NH+]2CCC(C(=O)N[C@@H](C)C(C)C)CC2)s1 ZINC000453557576 822385013 /nfs/dbraw/zinc/38/50/13/822385013.db2.gz BTKVVQXVZOPBIQ-ZDUSSCGKSA-N 1 0 387.387 4.192 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(OC(F)F)cc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000178496966 822385296 /nfs/dbraw/zinc/38/52/96/822385296.db2.gz NNLONZWWDRYFRQ-OLZOCXBDSA-N 1 0 384.448 4.071 20 0 GIADRO CCc1cccc(CC)c1NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000182881102 822385283 /nfs/dbraw/zinc/38/52/83/822385283.db2.gz CRTCYCYOQPHFFC-QFIPXVFZSA-N 1 0 395.547 4.090 20 0 GIADRO Cc1cc(Br)c(C[N@@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)s1 ZINC000453566784 822385350 /nfs/dbraw/zinc/38/53/50/822385350.db2.gz STBDRJKNEPBBKH-CYBMUJFWSA-N 1 0 387.387 4.193 20 0 GIADRO COc1ccc(C[NH+]2CCC3(CC2)OCCc2ccccc23)c(Cl)c1OC ZINC000453570006 822385725 /nfs/dbraw/zinc/38/57/25/822385725.db2.gz BPNGSEGHCZQNMF-UHFFFAOYSA-N 1 0 387.907 4.421 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)Nc1ccc(C)cc1C[NH+](C)C ZINC000182886754 822386060 /nfs/dbraw/zinc/38/60/60/822386060.db2.gz CJEOSZUEYXLKAY-CYBMUJFWSA-N 1 0 396.457 4.174 20 0 GIADRO C[C@@H](NC(=O)Nc1ccc(Br)cc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182887696 822386451 /nfs/dbraw/zinc/38/64/51/822386451.db2.gz SCTAUVUDTZGSNB-CHWSQXEVSA-N 1 0 398.320 4.363 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CCCc2nc(C(C)C)no2)cc1Br ZINC000178512563 822386806 /nfs/dbraw/zinc/38/68/06/822386806.db2.gz KNOLJPVPADJBJY-LBPRGKRZSA-N 1 0 382.302 4.248 20 0 GIADRO Fc1ccc(N2CC[C@H]([NH2+]Cc3cnc(-c4ccncc4)s3)C2)cc1Cl ZINC000453576547 822387074 /nfs/dbraw/zinc/38/70/74/822387074.db2.gz VRJSNAZZQZXCAY-AWEZNQCLSA-N 1 0 388.899 4.366 20 0 GIADRO CC(C)c1c(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cnn1-c1ccccc1 ZINC000045444148 822387804 /nfs/dbraw/zinc/38/78/04/822387804.db2.gz YDAXBXADUJHRDF-IBGZPJMESA-N 1 0 382.533 4.090 20 0 GIADRO Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000178530300 822388561 /nfs/dbraw/zinc/38/85/61/822388561.db2.gz UMFNUCITTPABCM-NVXWUHKLSA-N 1 0 389.952 4.328 20 0 GIADRO O=C(Nc1cccc(-c2noc(C3CC3)n2)c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000178531983 822388771 /nfs/dbraw/zinc/38/87/71/822388771.db2.gz XAJAZRARWOXQOM-UHFFFAOYSA-N 1 0 395.507 4.096 20 0 GIADRO [NH3+]C[C@H]1CCN(C(=O)[C@H](Sc2ccc(F)c(Cl)c2)c2ccccc2)C1 ZINC000178542923 822389817 /nfs/dbraw/zinc/38/98/17/822389817.db2.gz LMGRFYOEKBQRAD-FZKQIMNGSA-N 1 0 378.900 4.120 20 0 GIADRO CC(C)OCc1c2ccccc2oc1C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000045495877 822390702 /nfs/dbraw/zinc/39/07/02/822390702.db2.gz SURQZSRUBHIXDA-GOSISDBHSA-N 1 0 386.517 4.452 20 0 GIADRO C[C@H](NC(=O)N1CCc2c(Cl)cccc2C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182910169 822390897 /nfs/dbraw/zinc/39/08/97/822390897.db2.gz FPAKOGSHRVSJDN-HOTGVXAUSA-N 1 0 375.944 4.061 20 0 GIADRO CC(C)[C@H](NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1ccc(Cl)cc1F ZINC000182910881 822391042 /nfs/dbraw/zinc/39/10/42/822391042.db2.gz RNPQNTDOXUNEAW-BEFAXECRSA-N 1 0 381.923 4.304 20 0 GIADRO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1sc(C)cc1Br ZINC000453611693 822392763 /nfs/dbraw/zinc/39/27/63/822392763.db2.gz RUEUINRZWPFDIE-ZFWWWQNUSA-N 1 0 384.343 4.045 20 0 GIADRO Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@H](C)COc1ccc(Cl)c(Cl)c1 ZINC000453611179 822392826 /nfs/dbraw/zinc/39/28/26/822392826.db2.gz LMHMOBXHVZWQQV-YPMHNXCESA-N 1 0 382.291 4.081 20 0 GIADRO COc1cccc([C@H](CNC(=O)[C@@H]2CCCc3ccccc32)[NH+]2CCCC2)c1 ZINC000045528273 822393509 /nfs/dbraw/zinc/39/35/09/822393509.db2.gz RYHDFIUXXXQAAU-PKTZIBPZSA-N 1 0 378.516 4.068 20 0 GIADRO Cc1cccc(C)c1OC[C@H](C)[NH2+][C@H](C)CC(=O)Nc1cccnc1Cl ZINC000178597103 822395125 /nfs/dbraw/zinc/39/51/25/822395125.db2.gz GNICKZACAFJPSN-CVEARBPZSA-N 1 0 375.900 4.126 20 0 GIADRO Cc1cccc(C)c1OC[C@H](C)[NH2+][C@@H](C)CC(=O)Nc1cccnc1Cl ZINC000178597083 822395139 /nfs/dbraw/zinc/39/51/39/822395139.db2.gz GNICKZACAFJPSN-HOTGVXAUSA-N 1 0 375.900 4.126 20 0 GIADRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+]Cc3ccc(F)cc3Cl)cc2)C[C@@H](C)O1 ZINC000178619054 822396811 /nfs/dbraw/zinc/39/68/11/822396811.db2.gz IWLLZSUTBRNCDW-HUUCEWRRSA-N 1 0 390.886 4.018 20 0 GIADRO CC(C)[C@H](c1ccccc1)N(C)C(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000453639994 822396926 /nfs/dbraw/zinc/39/69/26/822396926.db2.gz CZIGGUQEVRYYKB-FCHUYYIVSA-N 1 0 393.531 4.030 20 0 GIADRO C[C@H](NC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182943202 822397380 /nfs/dbraw/zinc/39/73/80/822397380.db2.gz SUMGKVZZVRUWLQ-YQQAZPJKSA-N 1 0 379.495 4.320 20 0 GIADRO CCN(Cc1c(F)cccc1F)C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182953991 822399168 /nfs/dbraw/zinc/39/91/68/822399168.db2.gz WGXFDIZROYUCBC-CVEARBPZSA-N 1 0 379.495 4.149 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)Nc2ccc(F)c(NC(C)=O)c2)CC1 ZINC000182954845 822399392 /nfs/dbraw/zinc/39/93/92/822399392.db2.gz HQBSDPCZWRTDBM-UHFFFAOYSA-N 1 0 392.519 4.150 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)Nc2cccc(NC(C)=O)c2C)CC1 ZINC000182958395 822399883 /nfs/dbraw/zinc/39/98/83/822399883.db2.gz ZCARNBVEOPGJKL-UHFFFAOYSA-N 1 0 388.556 4.319 20 0 GIADRO Cn1cc(C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)c(C2CCCCC2)n1 ZINC000182963049 822400552 /nfs/dbraw/zinc/40/05/52/822400552.db2.gz ZOKQIONDDVEJGI-UHFFFAOYSA-N 1 0 386.584 4.082 20 0 GIADRO COc1ccc([C@H](C)[NH2+]Cc2ccc(Br)s2)cc1NC(C)=O ZINC000178713701 822405076 /nfs/dbraw/zinc/40/50/76/822405076.db2.gz ZGCMWCPINOISRF-JTQLQIEISA-N 1 0 383.311 4.328 20 0 GIADRO Cc1nn(C)cc1[C@H](C)[NH2+][C@@H](C)c1ccc(OC(F)F)cc1OC(F)F ZINC000178722077 822405435 /nfs/dbraw/zinc/40/54/35/822405435.db2.gz PQFRQIHINMGDOK-UWVGGRQHSA-N 1 0 375.366 4.343 20 0 GIADRO Cc1cc([C@@H](C)[NH2+]CC(=O)N[C@H](c2nccs2)c2ccccc2)c(C)s1 ZINC000182986873 822405575 /nfs/dbraw/zinc/40/55/75/822405575.db2.gz RVGFAPBBSJHSMA-KUHUBIRLSA-N 1 0 385.558 4.378 20 0 GIADRO C[NH+]1CCC(NC(=O)c2ccc(-c3ccc(Br)s3)s2)CC1 ZINC000182986242 822405616 /nfs/dbraw/zinc/40/56/16/822405616.db2.gz SKTGSXYESKCLEZ-UHFFFAOYSA-N 1 0 385.352 4.063 20 0 GIADRO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@H]1CC(C)(C)c2ccccc21 ZINC000178747070 822407011 /nfs/dbraw/zinc/40/70/11/822407011.db2.gz XOOPIOHRERUOHC-NRFANRHFSA-N 1 0 386.561 4.027 20 0 GIADRO Cc1c([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc(F)c2)cnn1-c1ccc(F)cc1 ZINC000182994958 822407552 /nfs/dbraw/zinc/40/75/52/822407552.db2.gz ILXNNHYWXZRQOM-KGLIPLIRSA-N 1 0 384.430 4.137 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@@H](C)C(=O)N[C@@H](C)c2ccccc2)cnn1-c1ccc(F)cc1 ZINC000182994598 822407565 /nfs/dbraw/zinc/40/75/65/822407565.db2.gz YMYNTIIAHLAWTH-ULQDDVLXSA-N 1 0 394.494 4.236 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(F)c2)cnn1-c1ccc(F)cc1 ZINC000182995022 822407838 /nfs/dbraw/zinc/40/78/38/822407838.db2.gz ILXNNHYWXZRQOM-UONOGXRCSA-N 1 0 384.430 4.137 20 0 GIADRO Cc1ccc(NC(=O)C2CC[NH+](Cc3cn(C)nc3C3CCCCC3)CC2)nc1 ZINC000182998587 822408305 /nfs/dbraw/zinc/40/83/05/822408305.db2.gz GBNAWWBGPLUSKH-UHFFFAOYSA-N 1 0 395.551 4.022 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1C[C@H](C)C[C@@H]1c1cccnc1 ZINC000183010874 822410867 /nfs/dbraw/zinc/41/08/67/822410867.db2.gz HWMFCNXYQDOSDA-XMSQKQJNSA-N 1 0 380.536 4.215 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)Nc2ccccc2N2CCCC2)CC1 ZINC000045756564 822410869 /nfs/dbraw/zinc/41/08/69/822410869.db2.gz HQPSCHVKXRZKGL-UHFFFAOYSA-N 1 0 392.547 4.381 20 0 GIADRO O=C(Nc1ccc2c3c(cccc31)CC2)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000045756081 822410871 /nfs/dbraw/zinc/41/08/71/822410871.db2.gz DVAKISAULDXVLT-UHFFFAOYSA-N 1 0 386.499 4.120 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)N(Cc2cccs2)C2CC2)CC1 ZINC000045757541 822411045 /nfs/dbraw/zinc/41/10/45/822411045.db2.gz AKQJQJYHFXGYRT-UHFFFAOYSA-N 1 0 383.561 4.395 20 0 GIADRO Cc1cc(C)c2c(c1)[C@H](Nc1cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c1)CCCO2 ZINC000183013758 822411469 /nfs/dbraw/zinc/41/14/69/822411469.db2.gz BXLYQMQDGLEFTE-FGZHOGPDSA-N 1 0 393.531 4.079 20 0 GIADRO CC1CC[NH+](Cc2ccccc2CNC(=O)N2CCC[C@@H]2c2ccncc2)CC1 ZINC000045776659 822412335 /nfs/dbraw/zinc/41/23/35/822412335.db2.gz HVYZNWKSNPZSOD-HSZRJFAPSA-N 1 0 392.547 4.360 20 0 GIADRO COc1cccc(CN(C)C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)c1 ZINC000045780494 822413055 /nfs/dbraw/zinc/41/30/55/822413055.db2.gz HNEFSPQBKLYWFB-IBGZPJMESA-N 1 0 395.547 4.411 20 0 GIADRO COCCN(Cc1ccco1)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000045780516 822413081 /nfs/dbraw/zinc/41/30/81/822413081.db2.gz RFWIOYFIWCULGS-LJQANCHMSA-N 1 0 399.535 4.012 20 0 GIADRO C[NH+]1CCN(Cc2ccc(CNC(=O)Nc3ccccc3C(C)(C)C)cc2)CC1 ZINC000045782193 822413313 /nfs/dbraw/zinc/41/33/13/822413313.db2.gz YEECSGXYKGYWSH-UHFFFAOYSA-N 1 0 394.563 4.053 20 0 GIADRO CCc1nc2ccccc2n1CC(=O)Nc1cc(C[NH+]2CCCC2)ccc1C ZINC000178819829 822413660 /nfs/dbraw/zinc/41/36/60/822413660.db2.gz LXYPTZRZBICYRS-UHFFFAOYSA-N 1 0 376.504 4.142 20 0 GIADRO C[C@@H]([NH3+])C1CCN(C(=O)c2ccc(Oc3cccc(Cl)c3Cl)nc2)CC1 ZINC000178826119 822414358 /nfs/dbraw/zinc/41/43/58/822414358.db2.gz YFVUQJNSOCPRAJ-GFCCVEGCSA-N 1 0 394.302 4.380 20 0 GIADRO Cc1cc(-c2cc(C(=O)N3CCC([C@H](C)[NH3+])CC3)c3c(C)noc3n2)c(C)s1 ZINC000178838567 822415311 /nfs/dbraw/zinc/41/53/11/822415311.db2.gz NTAKKOOKMLHVFU-LBPRGKRZSA-N 1 0 398.532 4.076 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc(NC(=O)C2CC2)cc1)C(=O)NCCC1=CCCCC1 ZINC000045812645 822415406 /nfs/dbraw/zinc/41/54/06/822415406.db2.gz MCPMOIXDFQWYQI-IAGOWNOFSA-N 1 0 383.536 4.081 20 0 GIADRO O=C(NC1CC[NH+](CC2CC2)CC1)c1ccc2noc(-c3ccc(F)cc3)c2c1 ZINC000178845628 822415959 /nfs/dbraw/zinc/41/59/59/822415959.db2.gz KLMXYOAPNADEBF-UHFFFAOYSA-N 1 0 393.462 4.238 20 0 GIADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc(Oc3ccccc3)nc2)C1 ZINC000178884533 822418728 /nfs/dbraw/zinc/41/87/28/822418728.db2.gz JSYQNUJEXDNWLQ-HXUWFJFHSA-N 1 0 396.535 4.041 20 0 GIADRO COC(=O)c1ccc(C[NH2+][C@H](C)c2cccc(Br)c2)cc1OC ZINC000178885647 822418983 /nfs/dbraw/zinc/41/89/83/822418983.db2.gz ARRRANCTSCLSMF-GFCCVEGCSA-N 1 0 378.266 4.095 20 0 GIADRO CCCN(C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1)[C@@H]1CC[NH2+]C1 ZINC000178885329 822418989 /nfs/dbraw/zinc/41/89/89/822418989.db2.gz CYKZZHFGZQTOCY-GFCCVEGCSA-N 1 0 384.332 4.331 20 0 GIADRO COC(=O)c1ccc(C[NH2+][C@@H](C)c2cccc(Br)c2)cc1OC ZINC000178885636 822418995 /nfs/dbraw/zinc/41/89/95/822418995.db2.gz ARRRANCTSCLSMF-LBPRGKRZSA-N 1 0 378.266 4.095 20 0 GIADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N(C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC000178888171 822419394 /nfs/dbraw/zinc/41/93/94/822419394.db2.gz SLHHQHBORPBDLZ-DLBZAZTESA-N 1 0 384.499 4.149 20 0 GIADRO COCCn1cc(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)c2ccccc21 ZINC000178888546 822419430 /nfs/dbraw/zinc/41/94/30/822419430.db2.gz BHMPMWNONXHDQQ-UHFFFAOYSA-N 1 0 397.563 4.016 20 0 GIADRO C[C@H](NC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1)c1ccccn1 ZINC000045867163 822419965 /nfs/dbraw/zinc/41/99/65/822419965.db2.gz IODYYDCHEUZDFW-SFHVURJKSA-N 1 0 388.515 4.371 20 0 GIADRO CCc1ccc([C@H](CNC(=O)c2cc(C3CC3)nc3onc(C)c32)[NH+](C)C)cc1 ZINC000045871053 822420370 /nfs/dbraw/zinc/42/03/70/822420370.db2.gz HUMQSTIFSJEIOU-FQEVSTJZSA-N 1 0 392.503 4.004 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1sc(-c2ccccn2)nc1C)c1ccccc1 ZINC000045873989 822420834 /nfs/dbraw/zinc/42/08/34/822420834.db2.gz RUVRWBHSCKYCHP-IBGZPJMESA-N 1 0 394.544 4.326 20 0 GIADRO COc1cccc(C[C@H](Nc2cccc(C[NH+]3CCC(CO)CC3)c2)C2CC2)c1 ZINC000183076381 822421298 /nfs/dbraw/zinc/42/12/98/822421298.db2.gz SXMDAZYUPULNSJ-VWLOTQADSA-N 1 0 394.559 4.333 20 0 GIADRO C[C@H](Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccc(F)cc1N(C)C ZINC000183080799 822422020 /nfs/dbraw/zinc/42/20/20/822422020.db2.gz BHDDFNGONXLIML-KRWDZBQOSA-N 1 0 385.527 4.269 20 0 GIADRO C[S@@](=O)C[C@H]([NH2+]Cc1c(-c2ccccc2)nc2ccccn21)c1ccccc1 ZINC000183085036 822422876 /nfs/dbraw/zinc/42/28/76/822422876.db2.gz ZOZUJHYWZZKJMQ-WTYVLRPYSA-N 1 0 389.524 4.211 20 0 GIADRO COc1cc(-c2ccccc2)ccc1C[NH2+][C@H](C)Cn1ncc2ccccc2c1=O ZINC000183087287 822423188 /nfs/dbraw/zinc/42/31/88/822423188.db2.gz CIXFLLJKIXJEHD-GOSISDBHSA-N 1 0 399.494 4.250 20 0 GIADRO c1coc(-c2nnc(CN3CC[NH+](C4c5ccccc5-c5ccccc54)CC3)o2)c1 ZINC000178952423 822424250 /nfs/dbraw/zinc/42/42/50/822424250.db2.gz KKLGDQYJPGRKOT-UHFFFAOYSA-N 1 0 398.466 4.217 20 0 GIADRO CCN(CC)C(=O)c1ccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000045946656 822426191 /nfs/dbraw/zinc/42/61/91/822426191.db2.gz ZHLQCJGJBJKGGW-UHFFFAOYSA-N 1 0 393.531 4.407 20 0 GIADRO C[C@@H]1CCN(C(=O)c2cnc3ccc(F)cc3c2)CC[N@@H+]1Cc1ccccc1 ZINC000178986490 822426736 /nfs/dbraw/zinc/42/67/36/822426736.db2.gz XODGDQQKNVTGAI-QGZVFWFLSA-N 1 0 377.463 4.111 20 0 GIADRO C[NH+](C)Cc1c2ccccc2oc1C(=O)NCc1ccccc1N1CCCCC1 ZINC000183134743 822428851 /nfs/dbraw/zinc/42/88/51/822428851.db2.gz VSADZXYXVXVHEE-UHFFFAOYSA-N 1 0 391.515 4.415 20 0 GIADRO CCOc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(-n3ccnc3C)cc2)cc1 ZINC000183141265 822430107 /nfs/dbraw/zinc/43/01/07/822430107.db2.gz UWBZHZRWKKRQEC-DLBZAZTESA-N 1 0 392.503 4.257 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)cc1 ZINC000183143785 822430556 /nfs/dbraw/zinc/43/05/56/822430556.db2.gz OWKUOJNHTKTTOS-QYZOEREBSA-N 1 0 390.531 4.140 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)Nc2cccc(NC(=O)C3CC3)c2)c1 ZINC000045986399 822430639 /nfs/dbraw/zinc/43/06/39/822430639.db2.gz PFJWWSYBFAGFLR-UHFFFAOYSA-N 1 0 394.519 4.199 20 0 GIADRO CC(C)CC(=O)Nc1ccc(NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000045988839 822431215 /nfs/dbraw/zinc/43/12/15/822431215.db2.gz NRIQDKNJYHPZII-GOSISDBHSA-N 1 0 388.556 4.447 20 0 GIADRO Cc1ccc([C@H](CNC(=O)c2ccc(C)cc2Br)[NH+]2CCCC2)o1 ZINC000179031222 822431642 /nfs/dbraw/zinc/43/16/42/822431642.db2.gz PRSXKJGWTVKASW-KRWDZBQOSA-N 1 0 391.309 4.226 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 ZINC000183152184 822432065 /nfs/dbraw/zinc/43/20/65/822432065.db2.gz AOUMGMBWWXLEQL-ULQDDVLXSA-N 1 0 394.494 4.236 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)N[C@H]1CCCC[C@H]1CC(F)(F)F ZINC000454137484 822432581 /nfs/dbraw/zinc/43/25/81/822432581.db2.gz LZNUJLSLXCHHGB-HKUYNNGSSA-N 1 0 397.485 4.461 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1cccc(OCC(F)(F)F)c1 ZINC000046008506 822433996 /nfs/dbraw/zinc/43/39/96/822433996.db2.gz QYGVGWCREQSBCG-HNNXBMFYSA-N 1 0 387.446 4.404 20 0 GIADRO CCOc1ccc(C(=O)N2CCC([NH2+]Cc3ccc(F)c(Cl)c3)CC2)cc1 ZINC000179057280 822434369 /nfs/dbraw/zinc/43/43/69/822434369.db2.gz QVONBBLIZHRLRZ-UHFFFAOYSA-N 1 0 390.886 4.272 20 0 GIADRO O=C(Cn1c2ccccc2nc1C1CCCCC1)NC1CC[NH+](CC2CC2)CC1 ZINC000179099119 822437835 /nfs/dbraw/zinc/43/78/35/822437835.db2.gz HEJLGASUJMCAQI-UHFFFAOYSA-N 1 0 394.563 4.075 20 0 GIADRO CCC(=O)Nc1ccc(NC(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)cc1 ZINC000179102519 822438421 /nfs/dbraw/zinc/43/84/21/822438421.db2.gz AXAGGQJTLPHSHY-UHFFFAOYSA-N 1 0 382.508 4.067 20 0 GIADRO CC(C)Oc1ccc([C@@H](C)NC(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc1 ZINC000046065562 822439087 /nfs/dbraw/zinc/43/90/87/822439087.db2.gz HEEMAWSHQYZKTH-DNVCBOLYSA-N 1 0 375.538 4.198 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(OCCOc2ccccc2)nc1)c1ccc(Cl)nc1 ZINC000179108786 822439200 /nfs/dbraw/zinc/43/92/00/822439200.db2.gz NICDVJDLYHAFRN-INIZCTEOSA-N 1 0 383.879 4.439 20 0 GIADRO Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000179112302 822439320 /nfs/dbraw/zinc/43/93/20/822439320.db2.gz CTIVLXFTYFPVRE-HNNXBMFYSA-N 1 0 378.586 4.152 20 0 GIADRO C[C@H]([NH2+]C[C@@H](c1ccc(Cl)cc1)N1CCOCC1)c1ccc(Cl)nc1 ZINC000179115839 822439868 /nfs/dbraw/zinc/43/98/68/822439868.db2.gz GJKBQUCITKUFJV-KSSFIOAISA-N 1 0 380.319 4.113 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)N[C@H]([C@@H](CO)C1CC1)C1CC1)C1CCCCC1 ZINC000454226910 822440898 /nfs/dbraw/zinc/44/08/98/822440898.db2.gz LOPJQKDBCVTWCN-GMAHTHKFSA-N 1 0 399.579 4.370 20 0 GIADRO CCc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)cc1 ZINC000183203816 822441019 /nfs/dbraw/zinc/44/10/19/822441019.db2.gz GXQCRQAKWJLJQV-CQSZACIVSA-N 1 0 394.441 4.128 20 0 GIADRO FC(F)Oc1ccc(NC(=S)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000046104450 822441255 /nfs/dbraw/zinc/44/12/55/822441255.db2.gz QQRJSOJLUYNSOU-UHFFFAOYSA-N 1 0 391.487 4.370 20 0 GIADRO Cc1ccnc(CNC(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)c1 ZINC000454233434 822441784 /nfs/dbraw/zinc/44/17/84/822441784.db2.gz XPEVMYGTSWDVCU-UHFFFAOYSA-N 1 0 388.515 4.118 20 0 GIADRO CC(C)Cn1cc(C[N@@H+]2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)cn1 ZINC000183228684 822444697 /nfs/dbraw/zinc/44/46/97/822444697.db2.gz FPXNHSKNRGPGJP-SFHVURJKSA-N 1 0 383.471 4.108 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1cccc(CO)c1 ZINC000183235987 822445987 /nfs/dbraw/zinc/44/59/87/822445987.db2.gz DGZVYEFPKMYMEU-CQSZACIVSA-N 1 0 375.394 4.234 20 0 GIADRO C[C@H]1CN(C(=O)Nc2ccc(Br)cc2Cl)CC[N@@H+](C2CC2)C1 ZINC000454264890 822446024 /nfs/dbraw/zinc/44/60/24/822446024.db2.gz HKVGIIYNCBIGBA-LLVKDONJSA-N 1 0 386.721 4.051 20 0 GIADRO COc1cccc([C@@H]2[C@H](NC(=O)[C@H]3C[C@H]3c3sccc3C)CC[N@@H+]2C2CC2)c1 ZINC000183241414 822446947 /nfs/dbraw/zinc/44/69/47/822446947.db2.gz AMWCMXLLSWBVPL-PLACYPQZSA-N 1 0 396.556 4.263 20 0 GIADRO C[C@H](NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ncc(Br)s1 ZINC000179188991 822448685 /nfs/dbraw/zinc/44/86/85/822448685.db2.gz QLYFUPQSTCAJNN-ZFWWWQNUSA-N 1 0 380.355 4.393 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCCN(Cc2ccccc2)C1)c1ncc(Br)s1 ZINC000179202996 822450235 /nfs/dbraw/zinc/45/02/35/822450235.db2.gz MOARWHXGMONISR-HIFRSBDPSA-N 1 0 380.355 4.221 20 0 GIADRO Fc1ccccc1COc1cccc(C[N@@H+]2CCOCC3(CCOCC3)C2)c1 ZINC000183266022 822450820 /nfs/dbraw/zinc/45/08/20/822450820.db2.gz STQKKXDPBDAVJI-UHFFFAOYSA-N 1 0 385.479 4.034 20 0 GIADRO COc1cccc([C@@H]2[C@H](NC(=O)c3ccccc3SC)CC[N@@H+]2C2CC2)c1 ZINC000183269842 822451267 /nfs/dbraw/zinc/45/12/67/822451267.db2.gz OAHKLEBKOFZNCO-TZIWHRDSSA-N 1 0 382.529 4.125 20 0 GIADRO COc1cccc([C@@H]2[C@@H](NC(=O)c3c[nH]c4cc(F)ccc34)CC[N@@H+]2C2CC2)c1 ZINC000183271994 822451650 /nfs/dbraw/zinc/45/16/50/822451650.db2.gz WTLVPLJYQDKFDL-RBBKRZOGSA-N 1 0 393.462 4.023 20 0 GIADRO COc1cccc([C@@H]2[C@H](NC(=O)c3c(F)cccc3Cl)CC[N@@H+]2C2CC2)c1 ZINC000183279211 822452842 /nfs/dbraw/zinc/45/28/42/822452842.db2.gz HXSUIESXLRIZNR-UYAOXDASSA-N 1 0 388.870 4.196 20 0 GIADRO COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@@H](C)c3cccc(F)c3F)C2)c1 ZINC000183281300 822453062 /nfs/dbraw/zinc/45/30/62/822453062.db2.gz GCLUJZNDUPMINO-LSDHHAIUSA-N 1 0 376.447 4.159 20 0 GIADRO COc1ccccc1N1CCC([NH2+][C@@H](C)c2ncc(Br)s2)CC1 ZINC000179220256 822453100 /nfs/dbraw/zinc/45/31/00/822453100.db2.gz HHSAMAVWCNREPP-LBPRGKRZSA-N 1 0 396.354 4.234 20 0 GIADRO COc1cccc(N2CC[C@H](C[NH2+][C@@H](C)c3ncc(Br)s3)C2)c1 ZINC000179222495 822453350 /nfs/dbraw/zinc/45/33/50/822453350.db2.gz DYRRHUZUXPMBQV-QWHCGFSZSA-N 1 0 396.354 4.091 20 0 GIADRO C[C@H](NCc1ccc(OCCC[NH+](C)C)cc1)c1ncc(Br)s1 ZINC000179223877 822453566 /nfs/dbraw/zinc/45/35/66/822453566.db2.gz AVQMQVAJZVQULG-ZDUSSCGKSA-N 1 0 398.370 4.087 20 0 GIADRO FC(F)(F)CN1CCC([NH2+]CCc2nc(C3CCCCC3)cs2)CC1 ZINC000183292125 822454227 /nfs/dbraw/zinc/45/42/27/822454227.db2.gz QNOTVCQGJUPFJK-UHFFFAOYSA-N 1 0 375.504 4.350 20 0 GIADRO CCCc1ncc(CNC(=O)NCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)o1 ZINC000454316354 822457153 /nfs/dbraw/zinc/45/71/53/822457153.db2.gz HXXYLUNFMISQQJ-ROUUACIJSA-N 1 0 398.551 4.104 20 0 GIADRO C[C@H](C[NH2+][C@H](c1nccn1C)C1CC1)Sc1ccc(Br)cc1 ZINC000183322238 822458895 /nfs/dbraw/zinc/45/88/95/822458895.db2.gz WBINSVABHZGYSX-WBMJQRKESA-N 1 0 380.355 4.404 20 0 GIADRO CCc1nocc1CN(C)C(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000454332801 822459069 /nfs/dbraw/zinc/45/90/69/822459069.db2.gz VZJVUYRXPUPVLR-QZTJIDSGSA-N 1 0 398.551 4.057 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)N2CC3(CCC3)[C@H]2c2ccco2)CC1 ZINC000454336333 822459378 /nfs/dbraw/zinc/45/93/78/822459378.db2.gz ZRMMYSBOSNCDGB-JOCHJYFZSA-N 1 0 393.531 4.489 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+][C@H]2CCN(c3ccc(Cl)cc3)C2)s1 ZINC000183332200 822460072 /nfs/dbraw/zinc/46/00/72/822460072.db2.gz ZUZIKDGCBBSEGU-CJNGLKHVSA-N 1 0 379.957 4.223 20 0 GIADRO COCCN(Cc1ccc(F)c(Cl)c1)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000454348348 822460627 /nfs/dbraw/zinc/46/06/27/822460627.db2.gz VDXKOHGRHUMLGY-UHFFFAOYSA-N 1 0 393.890 4.221 20 0 GIADRO O=C1OCCN1CCC[NH2+]Cc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000179302136 822463023 /nfs/dbraw/zinc/46/30/23/822463023.db2.gz OSBIRKRDZONABV-UHFFFAOYSA-N 1 0 386.304 4.049 20 0 GIADRO CCOc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2c2nc3ccccc3s2)cc1 ZINC000046344458 822464086 /nfs/dbraw/zinc/46/40/86/822464086.db2.gz KIHCVEKSICMYES-OXJNMPFZSA-N 1 0 398.528 4.272 20 0 GIADRO CC[NH+]1CCN(Cc2ccccc2CN[C@@H](c2ccco2)c2ccccc2)CC1 ZINC000183365613 822464363 /nfs/dbraw/zinc/46/43/63/822464363.db2.gz GEAGAQKTAMLVPB-RUZDIDTESA-N 1 0 389.543 4.296 20 0 GIADRO C[C@H](c1ccccc1)[C@H](C)[NH2+]CC(=O)Nc1c(F)cc(F)cc1Br ZINC000183368813 822464542 /nfs/dbraw/zinc/46/45/42/822464542.db2.gz AFYCLUYHIZBFQT-RYUDHWBXSA-N 1 0 397.263 4.448 20 0 GIADRO OCC[C@@H](C[NH2+][C@H]1CCc2c1c(Br)ccc2F)c1ccccc1 ZINC000179318817 822465451 /nfs/dbraw/zinc/46/54/51/822465451.db2.gz IEPCRFHJEXBMEY-KSSFIOAISA-N 1 0 378.285 4.331 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000183374319 822465544 /nfs/dbraw/zinc/46/55/44/822465544.db2.gz ZCRZZBHQOYEBHB-DLBZAZTESA-N 1 0 376.504 4.209 20 0 GIADRO CC(C)Cn1ncc(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)c1C1CC1 ZINC000179326558 822466571 /nfs/dbraw/zinc/46/65/71/822466571.db2.gz BOUDRUVTXNDZTD-UHFFFAOYSA-N 1 0 394.563 4.059 20 0 GIADRO COC(=O)COc1ccccc1[C@H](C)[NH2+]C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000183405977 822469114 /nfs/dbraw/zinc/46/91/14/822469114.db2.gz JVNCNRVTBWCENL-GEQKSPFYSA-N 1 0 383.488 4.057 20 0 GIADRO Cc1cnc([C@H](C)CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)s1 ZINC000183407997 822469806 /nfs/dbraw/zinc/46/98/06/822469806.db2.gz JMSKZRMEAUQMER-MIJOPJBOSA-N 1 0 398.576 4.050 20 0 GIADRO Cc1c([C@H](C)[NH2+]CC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)cnn1C ZINC000183409612 822470073 /nfs/dbraw/zinc/47/00/73/822470073.db2.gz AHZMTQRXKVDPDZ-HRAATJIYSA-N 1 0 382.552 4.040 20 0 GIADRO CSCC1CCC(NC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000454409674 822470921 /nfs/dbraw/zinc/47/09/21/822470921.db2.gz DGTMIGUATMLLOY-ADKAHSJRSA-N 1 0 395.638 4.181 20 0 GIADRO CCO[C@H]1CCN(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C[C@H]1C ZINC000454409926 822471115 /nfs/dbraw/zinc/47/11/15/822471115.db2.gz ONKDHKCSLMUAEE-KNQAVFIVSA-N 1 0 387.568 4.019 20 0 GIADRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)NC[C@@H]1CCCCC1(F)F ZINC000454415888 822471866 /nfs/dbraw/zinc/47/18/66/822471866.db2.gz VOXKUUPLYVPWQP-HOTGVXAUSA-N 1 0 385.524 4.085 20 0 GIADRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000454415619 822471872 /nfs/dbraw/zinc/47/18/72/822471872.db2.gz SYEGRFPDQXMWDG-PXNSSMCTSA-N 1 0 399.560 4.490 20 0 GIADRO O=C(Nc1ccc(N2CCCCCCC2)c(F)c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000183422065 822472213 /nfs/dbraw/zinc/47/22/13/822472213.db2.gz KSTOKBBYKUECTE-LJQANCHMSA-N 1 0 388.531 4.298 20 0 GIADRO COc1ccc(CN(C)C(=O)[C@H](C)[NH2+][C@H](C)c2cc(C)sc2C)cc1OC ZINC000179369218 822472441 /nfs/dbraw/zinc/47/24/41/822472441.db2.gz AZZWLZGJELWIQY-CABCVRRESA-N 1 0 390.549 4.080 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCC1)Nc1ccc(C(F)(F)F)nc1 ZINC000179371088 822472605 /nfs/dbraw/zinc/47/26/05/822472605.db2.gz RKPNRBYZQXUOBG-UHFFFAOYSA-N 1 0 378.398 4.018 20 0 GIADRO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000454422722 822473064 /nfs/dbraw/zinc/47/30/64/822473064.db2.gz DAOYJKVTEWYYFR-IFMALSPDSA-N 1 0 393.531 4.081 20 0 GIADRO CCc1ccccc1N(C(C)=O)c1nc(CN2CCC[N@@H+](C3CC3)CC2)cs1 ZINC000179374400 822473061 /nfs/dbraw/zinc/47/30/61/822473061.db2.gz NONMQNMSPLTBRS-UHFFFAOYSA-N 1 0 398.576 4.060 20 0 GIADRO C[C@@H](CCNC(=O)Nc1cccc(NC(=O)c2ccccc2)c1)[NH+]1CCCCC1 ZINC000183429584 822473759 /nfs/dbraw/zinc/47/37/59/822473759.db2.gz ZFVGOZYZBNKBQK-SFHVURJKSA-N 1 0 394.519 4.325 20 0 GIADRO COc1cc(F)c([C@H](C)[NH2+]C[C@@H](O)COc2ccccc2C(C)C)cc1OC ZINC000183434564 822474279 /nfs/dbraw/zinc/47/42/79/822474279.db2.gz BLQSYFRFKVYEDH-JKSUJKDBSA-N 1 0 391.483 4.057 20 0 GIADRO CCCCOc1c(Cl)cc(C(=O)N(C)C2CC[NH+](C)CC2)cc1OCC ZINC000046468007 822475892 /nfs/dbraw/zinc/47/58/92/822475892.db2.gz VMVSCQMQOJSWIT-UHFFFAOYSA-N 1 0 382.932 4.084 20 0 GIADRO Cc1ccc(NC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1OCC(F)F ZINC000183456238 822477743 /nfs/dbraw/zinc/47/77/43/822477743.db2.gz GEOJEKBNGDMAJV-CVEARBPZSA-N 1 0 395.494 4.413 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1cc(C)ccc1OC ZINC000179404457 822478000 /nfs/dbraw/zinc/47/80/00/822478000.db2.gz BURQVYRUUTYFBX-JXFKEZNVSA-N 1 0 390.549 4.056 20 0 GIADRO Cc1ccc(NC(=O)COc2ccc(CC[NH2+][C@@H](C)c3nccs3)cc2)cc1 ZINC000179413761 822479312 /nfs/dbraw/zinc/47/93/12/822479312.db2.gz KGMJVFDLMVVTTA-KRWDZBQOSA-N 1 0 395.528 4.362 20 0 GIADRO CCC[C@@H]1C[C@H](C(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)CCO1 ZINC000183468509 822479585 /nfs/dbraw/zinc/47/95/85/822479585.db2.gz BGPGGLJQGCRPEF-IFMALSPDSA-N 1 0 380.532 4.079 20 0 GIADRO Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]Cc1ccccc1CS(=O)(=O)NC(C)C ZINC000179420129 822479929 /nfs/dbraw/zinc/47/99/29/822479929.db2.gz UZHZLZFBYPISPU-UWJYYQICSA-N 1 0 386.561 4.161 20 0 GIADRO CC(=O)Nc1ccc(C)c(NC(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)c1 ZINC000454466616 822480081 /nfs/dbraw/zinc/48/00/81/822480081.db2.gz VIUBTWQIQFDKPJ-UHFFFAOYSA-N 1 0 394.519 4.130 20 0 GIADRO COc1ccc(OC(C)C)c(NC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000183473862 822480959 /nfs/dbraw/zinc/48/09/59/822480959.db2.gz VRYXUFMDRUWZOI-DLBZAZTESA-N 1 0 389.540 4.257 20 0 GIADRO C[C@H]([NH2+]CCSCCOc1cccc(Br)c1)c1nccs1 ZINC000179428742 822481234 /nfs/dbraw/zinc/48/12/34/822481234.db2.gz XCNAKGKQQRLQDA-LBPRGKRZSA-N 1 0 387.368 4.368 20 0 GIADRO Cc1cc2ncc([C@@H](C)[NH2+]C[C@@H](O)c3ccc(Cl)cc3Cl)c(C)n2n1 ZINC000179428490 822481257 /nfs/dbraw/zinc/48/12/57/822481257.db2.gz ZNZYBOAMFGPRTR-PIGZYNQJSA-N 1 0 379.291 4.037 20 0 GIADRO Cc1nc(CN2CCC(C[NH2+][C@H](C)c3nc4c(s3)CCCC4)CC2)oc1C ZINC000179429248 822481512 /nfs/dbraw/zinc/48/15/12/822481512.db2.gz ZGISBEMTHLTFRD-OAHLLOKOSA-N 1 0 388.581 4.190 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)Nc1ccc(OC(F)F)cc1OC(F)F ZINC000454488099 822483370 /nfs/dbraw/zinc/48/33/70/822483370.db2.gz USPHZGMQUDMSLG-UHFFFAOYSA-N 1 0 395.397 4.131 20 0 GIADRO Cc1csc([C@@H](C)CNC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)n1 ZINC000183493442 822485234 /nfs/dbraw/zinc/48/52/34/822485234.db2.gz MXQQQNFFUMIMBZ-RDJZCZTQSA-N 1 0 386.565 4.080 20 0 GIADRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000179454797 822485365 /nfs/dbraw/zinc/48/53/65/822485365.db2.gz BFTOJLVZRDEASD-AWEZNQCLSA-N 1 0 397.466 4.129 20 0 GIADRO C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000179455285 822485437 /nfs/dbraw/zinc/48/54/37/822485437.db2.gz VIGSCYONLNHIST-AWEZNQCLSA-N 1 0 385.414 4.169 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CCc2coc(-c3ccc(F)cc3)n2)cc1NC(C)=O ZINC000179455551 822485632 /nfs/dbraw/zinc/48/56/32/822485632.db2.gz CONGFFRPIPZGHH-CQSZACIVSA-N 1 0 397.450 4.341 20 0 GIADRO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(OCC(F)(F)F)cc2)[C@@H]1c1ccccc1 ZINC000179466655 822486761 /nfs/dbraw/zinc/48/67/61/822486761.db2.gz LPGHSGBKOJJCOE-ROUUACIJSA-N 1 0 393.409 4.195 20 0 GIADRO COc1ccc([C@@H]([NH2+]CCn2ccnc2)c2ccccc2)cc1Br ZINC000179469706 822487257 /nfs/dbraw/zinc/48/72/57/822487257.db2.gz OZRSWSVJHYRIDX-IBGZPJMESA-N 1 0 386.293 4.033 20 0 GIADRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C[C@@H](O)c2ccc3ccccc3c2)CC1 ZINC000183505347 822487445 /nfs/dbraw/zinc/48/74/45/822487445.db2.gz DRISONXJVDYEEC-NHCUHLMSSA-N 1 0 384.520 4.252 20 0 GIADRO CC[N@H+](Cc1c(C)nn(CC(=O)OC(C)C)c1C)[C@H](C)c1cccc(OC)c1 ZINC000179470235 822487452 /nfs/dbraw/zinc/48/74/52/822487452.db2.gz SLDVQZGXFUNIQU-QGZVFWFLSA-N 1 0 387.524 4.043 20 0 GIADRO CC(C)c1noc2nc(C3CC3)cc(C(=O)N(C)C3CC[NH+](C(C)C)CC3)c21 ZINC000046574292 822487502 /nfs/dbraw/zinc/48/75/02/822487502.db2.gz YEPMCESRKUBNGF-UHFFFAOYSA-N 1 0 384.524 4.168 20 0 GIADRO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(Br)cc2F)[C@@H]1c1ccccc1 ZINC000179473491 822487718 /nfs/dbraw/zinc/48/77/18/822487718.db2.gz PXISXCWUKBLNHI-SJORKVTESA-N 1 0 392.272 4.155 20 0 GIADRO C[NH+](C)Cc1cc(CNC(=O)N[C@H]2CCCC[C@H]2CC(F)(F)F)ccc1F ZINC000454514364 822488337 /nfs/dbraw/zinc/48/83/37/822488337.db2.gz NILDWDUSLSAOOT-YOEHRIQHSA-N 1 0 389.437 4.198 20 0 GIADRO O=C(c1ccccc1)N1CCC[N@@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)CC1 ZINC000179483051 822489162 /nfs/dbraw/zinc/48/91/62/822489162.db2.gz QQUHENBWPIKAPR-UHFFFAOYSA-N 1 0 394.906 4.078 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2F)C1)c1ccc(N2CCOC2=O)cc1 ZINC000179499788 822492138 /nfs/dbraw/zinc/49/21/38/822492138.db2.gz RNJOKJKMDASLAA-SJLPKXTDSA-N 1 0 383.467 4.102 20 0 GIADRO CC(C)(C)OC(=O)Nc1cccc(C[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c1 ZINC000179508604 822493087 /nfs/dbraw/zinc/49/30/87/822493087.db2.gz JXGHPEBYKWTDFV-KRWDZBQOSA-N 1 0 397.523 4.409 20 0 GIADRO COc1ccc(CC[NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)c(OC)c1OC ZINC000183548266 822493287 /nfs/dbraw/zinc/49/32/87/822493287.db2.gz SDETYUOTQVPGOS-NRFANRHFSA-N 1 0 396.462 4.168 20 0 GIADRO COCCOCc1cccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000046617359 822493592 /nfs/dbraw/zinc/49/35/92/822493592.db2.gz XNZXVVXXFZYHIO-UHFFFAOYSA-N 1 0 382.504 4.088 20 0 GIADRO COc1ccccc1OC[C@H](C)C[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000179512480 822493879 /nfs/dbraw/zinc/49/38/79/822493879.db2.gz MGDQMMOZQKBTLG-MDPMHESRSA-N 1 0 394.515 4.132 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(-c2ccccc2OC)on1)c1ccccc1 ZINC000046620501 822494053 /nfs/dbraw/zinc/49/40/53/822494053.db2.gz PKMWIJPXWMVNHE-FQEVSTJZSA-N 1 0 393.487 4.163 20 0 GIADRO C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000179515858 822494794 /nfs/dbraw/zinc/49/47/94/822494794.db2.gz LWPWJGPRHWFKIO-STQMWFEESA-N 1 0 376.287 4.443 20 0 GIADRO C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000179515993 822494811 /nfs/dbraw/zinc/49/48/11/822494811.db2.gz PECHXQRKJFWJAV-HOTGVXAUSA-N 1 0 390.512 4.259 20 0 GIADRO C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000179518020 822495582 /nfs/dbraw/zinc/49/55/82/822495582.db2.gz BLJYYUKQDHPRNJ-SCLBCKFNSA-N 1 0 385.920 4.265 20 0 GIADRO C[C@@H]([NH2+]CC1(c2ccccc2Cl)CC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000179519204 822495714 /nfs/dbraw/zinc/49/57/14/822495714.db2.gz BBSKFEKYWSEXSK-CYBMUJFWSA-N 1 0 381.900 4.265 20 0 GIADRO CC(C)Oc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccnn2Cc2cccs2)cc1 ZINC000179524819 822496859 /nfs/dbraw/zinc/49/68/59/822496859.db2.gz LOVBYJMLJMZVBC-MRXNPFEDSA-N 1 0 398.532 4.069 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2oc3ccccc3c2C)c1 ZINC000183579182 822497120 /nfs/dbraw/zinc/49/71/20/822497120.db2.gz QIAZVWWCXOLCDC-GJZGRUSLSA-N 1 0 379.460 4.377 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)c1cccc(Br)c1)c1cccc(-n2cccn2)c1 ZINC000183581142 822497272 /nfs/dbraw/zinc/49/72/72/822497272.db2.gz QTVWHNJNCPUCLZ-IFXJQAMLSA-N 1 0 386.293 4.019 20 0 GIADRO Cc1nn(C)cc1[C@H](C)[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000179526875 822497305 /nfs/dbraw/zinc/49/73/05/822497305.db2.gz HCGPVKMKNJGANW-VIFPVBQESA-N 1 0 376.220 4.361 20 0 GIADRO FC(F)(F)c1cc(Br)ccc1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000179526898 822497384 /nfs/dbraw/zinc/49/73/84/822497384.db2.gz ACPVFQYHCLEAFP-ZIAGYGMSSA-N 1 0 377.248 4.184 20 0 GIADRO CC(C)Cn1ncc(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)c1C(F)F ZINC000179531999 822498524 /nfs/dbraw/zinc/49/85/24/822498524.db2.gz TTXCLRISRZAUIS-UHFFFAOYSA-N 1 0 396.526 4.250 20 0 GIADRO CCn1nc(C)c(NC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)c1C ZINC000179543378 822500209 /nfs/dbraw/zinc/50/02/09/822500209.db2.gz WOEWWJCVBSJYDA-INIZCTEOSA-N 1 0 383.540 4.216 20 0 GIADRO CC1(C)CN(C(=O)NCCC(F)(F)F)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000454580065 822500408 /nfs/dbraw/zinc/50/04/08/822500408.db2.gz WJHIQDREHDWNGC-GOSISDBHSA-N 1 0 397.485 4.271 20 0 GIADRO COC(=O)COc1ccccc1[C@H](C)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000183610796 822501000 /nfs/dbraw/zinc/50/10/00/822501000.db2.gz RSOBQSFRCKBRAA-OALUTQOASA-N 1 0 396.531 4.115 20 0 GIADRO CCOc1ccc(C(F)(F)F)cc1NC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000454584854 822501391 /nfs/dbraw/zinc/50/13/91/822501391.db2.gz HQQHHIJGHLMGNL-SFHVURJKSA-N 1 0 385.430 4.054 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)c2cnc3ccc(F)cc3c2)[C@@H]1c1cccs1 ZINC000179550456 822501692 /nfs/dbraw/zinc/50/16/92/822501692.db2.gz MPVGJZRSGFDTHO-JLTOFOAXSA-N 1 0 383.492 4.248 20 0 GIADRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]Cc2nnc(-c3ccccc3)s2)CC1 ZINC000183617638 822501939 /nfs/dbraw/zinc/50/19/39/822501939.db2.gz YICZAZLSBOFKLS-INIZCTEOSA-N 1 0 388.537 4.084 20 0 GIADRO Cc1ncsc1CC[NH+]1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000179552585 822502240 /nfs/dbraw/zinc/50/22/40/822502240.db2.gz YFQJWYJTVJEPBP-UHFFFAOYSA-N 1 0 384.376 4.161 20 0 GIADRO O=C(c1csc(-c2ccc(F)c(F)c2)n1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000183623407 822502725 /nfs/dbraw/zinc/50/27/25/822502725.db2.gz GOXTUSBBAZPGER-OAHLLOKOSA-N 1 0 391.487 4.179 20 0 GIADRO CSCC1CCC(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000454594250 822502917 /nfs/dbraw/zinc/50/29/17/822502917.db2.gz LWAOWBGVZHUSEE-RLHVNXBHSA-N 1 0 389.609 4.261 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)Cc1c(F)cccc1F ZINC000454597977 822503776 /nfs/dbraw/zinc/50/37/76/822503776.db2.gz CSPLYADWTZHBSZ-IIBYNOLFSA-N 1 0 387.474 4.017 20 0 GIADRO CC[C@H]([NH2+][C@@H]1CCCc2cc(F)ccc21)c1ccccc1OCC(=O)N(C)C ZINC000179561442 822503878 /nfs/dbraw/zinc/50/38/78/822503878.db2.gz JHIOYFMPZVGPDF-LEWJYISDSA-N 1 0 384.495 4.411 20 0 GIADRO Cn1c(CCC[NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)nc2ccccc21 ZINC000183647969 822505864 /nfs/dbraw/zinc/50/58/64/822505864.db2.gz KAQSVENDYPUGFJ-UHFFFAOYSA-N 1 0 395.400 4.376 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)C(F)F)cc1)c1cccc(OC(F)F)c1 ZINC000179579654 822506541 /nfs/dbraw/zinc/50/65/41/822506541.db2.gz IVEONUHOCXKUGO-NSHDSACASA-N 1 0 391.386 4.135 20 0 GIADRO C[C@H]([NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1)c1ccc(-n2cnnn2)cc1 ZINC000179589010 822507996 /nfs/dbraw/zinc/50/79/96/822507996.db2.gz ZRLVHBMTBUFPON-SJCJKPOMSA-N 1 0 379.361 4.146 20 0 GIADRO COc1ccc(C)cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000179594949 822509372 /nfs/dbraw/zinc/50/93/72/822509372.db2.gz BKZRKVFYBVCDBQ-UONOGXRCSA-N 1 0 378.419 4.283 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)CCCc2nc3ccccc3s2)cc1 ZINC000046723343 822509718 /nfs/dbraw/zinc/50/97/18/822509718.db2.gz FOYOQJCWTFHSAV-UHFFFAOYSA-N 1 0 383.517 4.198 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)cc1 ZINC000046723298 822509773 /nfs/dbraw/zinc/50/97/73/822509773.db2.gz GCMDKNDYFDJIDV-UHFFFAOYSA-N 1 0 398.434 4.190 20 0 GIADRO CC(=O)c1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000179598151 822509758 /nfs/dbraw/zinc/50/97/58/822509758.db2.gz FXTLHOURNJKSNG-OLZOCXBDSA-N 1 0 376.403 4.168 20 0 GIADRO CC(C)C[C@@H]([NH2+][C@H](C)c1ccc(-n2ccnc2)cc1)C(=O)Nc1nccs1 ZINC000179600414 822510481 /nfs/dbraw/zinc/51/04/81/822510481.db2.gz FANJEBVRFNAPCQ-CRAIPNDOSA-N 1 0 383.521 4.033 20 0 GIADRO COc1ccc(C)cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000183687266 822511283 /nfs/dbraw/zinc/51/12/83/822511283.db2.gz VKSVIAQZRNJVFP-IAGOWNOFSA-N 1 0 392.503 4.176 20 0 GIADRO CCc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000183688135 822511612 /nfs/dbraw/zinc/51/16/12/822511612.db2.gz AHWCOJPIYMNZJN-SJORKVTESA-N 1 0 376.504 4.421 20 0 GIADRO CC(=O)c1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000183689616 822511883 /nfs/dbraw/zinc/51/18/83/822511883.db2.gz GGJFNYRNSHKPPP-HZPDHXFCSA-N 1 0 390.487 4.061 20 0 GIADRO O=C(NC[C@@H]1CCCCC1(F)F)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000454664533 822514331 /nfs/dbraw/zinc/51/43/31/822514331.db2.gz VOGZJRGCZLRPIY-KRWDZBQOSA-N 1 0 397.535 4.225 20 0 GIADRO COC(=O)COc1ccccc1[C@@H](C)[NH2+][C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000183706939 822514650 /nfs/dbraw/zinc/51/46/50/822514650.db2.gz PUGTXTYOZXFJTD-IAGOWNOFSA-N 1 0 393.487 4.144 20 0 GIADRO Cc1nn(-c2ccccc2)cc1NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000183706648 822514709 /nfs/dbraw/zinc/51/47/09/822514709.db2.gz XNLFBILTSMVVIG-UHFFFAOYSA-N 1 0 395.551 4.301 20 0 GIADRO CC[C@H]([NH2+][C@H](C)c1cc(OC)c(OC)cc1C)C(=O)Nc1ccc(OC)cc1 ZINC000179625305 822515003 /nfs/dbraw/zinc/51/50/03/822515003.db2.gz KPMWZOVIAFXSQE-BEFAXECRSA-N 1 0 386.492 4.089 20 0 GIADRO CCOCc1cccc(NC(=O)NC[C@@H](c2ccc(SC)cc2)[NH+](C)C)c1 ZINC000454671036 822515284 /nfs/dbraw/zinc/51/52/84/822515284.db2.gz PRBUFAYOCGKBIW-FQEVSTJZSA-N 1 0 387.549 4.369 20 0 GIADRO CCN(CC)C(=O)c1ccc(NC(=O)C[NH2+][C@H](C)c2cccc(C)c2C)cc1 ZINC000183711858 822515373 /nfs/dbraw/zinc/51/53/73/822515373.db2.gz WFKHRZWZFNEOJW-GOSISDBHSA-N 1 0 381.520 4.075 20 0 GIADRO COc1cc(C)c([C@@H](C)[NH2+]CC(=O)N[C@H](C)c2ccc(Cl)cc2)cc1OC ZINC000179627746 822515449 /nfs/dbraw/zinc/51/54/49/822515449.db2.gz XUNLYZXVZIPYTB-HUUCEWRRSA-N 1 0 390.911 4.194 20 0 GIADRO COc1ccccc1N1CC[C@@H]([NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)C1 ZINC000183713199 822515574 /nfs/dbraw/zinc/51/55/74/822515574.db2.gz KDBOESPKICOBNH-XXBNENTESA-N 1 0 377.463 4.187 20 0 GIADRO COc1cc(C)c([C@@H](C)[NH2+]C[C@H](O)c2ccccc2Br)cc1OC ZINC000179629378 822515818 /nfs/dbraw/zinc/51/58/18/822515818.db2.gz JUVYPQPIGUGHPQ-DYVFJYSZSA-N 1 0 394.309 4.159 20 0 GIADRO CC[NH+](CC)CCC[C@H](C)NC(=O)C(C)(C)c1ccc(Br)cc1 ZINC000046781814 822516753 /nfs/dbraw/zinc/51/67/53/822516753.db2.gz NHKNUULXJGNKLJ-HNNXBMFYSA-N 1 0 383.374 4.353 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CCn1cnc2ccccc2c1=O ZINC000183721966 822516766 /nfs/dbraw/zinc/51/67/66/822516766.db2.gz APSSLLCOCYLNMN-HNNXBMFYSA-N 1 0 390.512 4.179 20 0 GIADRO CC(C)c1cnc(C[NH2+]C[C@H](c2cccc(Cl)c2)N2CCOCC2)s1 ZINC000183735335 822518841 /nfs/dbraw/zinc/51/88/41/822518841.db2.gz SCHGCWGGXLMFRO-QGZVFWFLSA-N 1 0 379.957 4.083 20 0 GIADRO Cc1c([C@H](C)[NH2+]Cc2ccc(N3CCOC3=O)cc2)cnn1-c1ccc(F)cc1 ZINC000183738787 822519608 /nfs/dbraw/zinc/51/96/08/822519608.db2.gz WCHOZIUODUUHNH-HNNXBMFYSA-N 1 0 394.450 4.127 20 0 GIADRO O=C1OCCN1c1ccc(C[NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)cc1 ZINC000183738967 822519641 /nfs/dbraw/zinc/51/96/41/822519641.db2.gz NNJOQMZFEUYVQU-GOSISDBHSA-N 1 0 392.377 4.319 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)Cc1ccc(Br)cc1 ZINC000046809218 822519780 /nfs/dbraw/zinc/51/97/80/822519780.db2.gz RQZHLYKWXBIPBL-UHFFFAOYSA-N 1 0 389.337 4.148 20 0 GIADRO CC(=O)Nc1cc(C(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)ccc1C ZINC000046810093 822520054 /nfs/dbraw/zinc/52/00/54/822520054.db2.gz STVGZCVVAGEQQT-HXUWFJFHSA-N 1 0 399.560 4.218 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CC(=O)NCc1ccccc1F ZINC000183741880 822520339 /nfs/dbraw/zinc/52/03/39/822520339.db2.gz BCQBPGAJRRTVRY-CQSZACIVSA-N 1 0 383.492 4.225 20 0 GIADRO CN(C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)c1ccc(F)cc1 ZINC000179655120 822521357 /nfs/dbraw/zinc/52/13/57/822521357.db2.gz UIXGAVHXHZZNHT-LIRRHRJNSA-N 1 0 393.865 4.457 20 0 GIADRO CCN(Cc1nnc(-c2cccc(Cl)c2)o1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000183754571 822522846 /nfs/dbraw/zinc/52/28/46/822522846.db2.gz CRHSPHFQPRJVRV-FQEVSTJZSA-N 1 0 396.922 4.486 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000179671928 822524112 /nfs/dbraw/zinc/52/41/12/822524112.db2.gz IFQQTOVBPQLXFJ-UHFFFAOYSA-N 1 0 394.906 4.360 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)c2ccc(Br)cc2C(F)(F)F)CC[N@@H+]1C ZINC000179674230 822524403 /nfs/dbraw/zinc/52/44/03/822524403.db2.gz CRZLATCSFBLTRI-ZYHUDNBSSA-N 1 0 393.247 4.023 20 0 GIADRO COc1cc(F)c(NC(=O)N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)cc1OC ZINC000454733893 822524942 /nfs/dbraw/zinc/52/49/42/822524942.db2.gz BOJMBVAYOLPJNR-UHFFFAOYSA-N 1 0 395.519 4.207 20 0 GIADRO CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2cccc(Cl)c2Cl)cc1 ZINC000183767079 822525183 /nfs/dbraw/zinc/52/51/83/822525183.db2.gz ZESKDVNLICRONL-DOMZBBRYSA-N 1 0 397.302 4.042 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)Cc2ccc(OC(F)(F)F)cc2)cc1 ZINC000046873147 822525573 /nfs/dbraw/zinc/52/55/73/822525573.db2.gz JPPQMJYUQZGRJJ-UHFFFAOYSA-N 1 0 394.437 4.286 20 0 GIADRO O=C(C[NH2+]C1(c2cccc(Cl)c2)CC1)N[C@@H](c1nccs1)c1ccccc1 ZINC000179680089 822525888 /nfs/dbraw/zinc/52/58/88/822525888.db2.gz IMNOHGQJPNVIPX-LJQANCHMSA-N 1 0 397.931 4.281 20 0 GIADRO Cc1ccc(NCc2cccc(Br)c2)cc1NC(=O)CC[NH+](C)C ZINC000183779226 822527350 /nfs/dbraw/zinc/52/73/50/822527350.db2.gz YBPWMURQMQIIDB-UHFFFAOYSA-N 1 0 390.325 4.260 20 0 GIADRO COC(=O)c1ccc(C[NH2+][C@@H](C)c2cccc(OCc3ccccn3)c2)c(F)c1 ZINC000179687765 822527540 /nfs/dbraw/zinc/52/75/40/822527540.db2.gz GFKXDEWNBCEABQ-INIZCTEOSA-N 1 0 394.446 4.437 20 0 GIADRO Cc1ccc(OC[C@H](O)C[NH2+][C@H](C)c2cccc(OCc3ccccn3)c2)cc1 ZINC000179688371 822527807 /nfs/dbraw/zinc/52/78/07/822527807.db2.gz HCHPQLVWWKQHPY-DENIHFKCSA-N 1 0 392.499 4.060 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1ccccc1F)c1cccc(OCc2ccccn2)c1 ZINC000179688887 822528009 /nfs/dbraw/zinc/52/80/09/822528009.db2.gz OASIUMJHWKEHAD-INIZCTEOSA-N 1 0 379.435 4.089 20 0 GIADRO CC[C@@H]1CCC[C@H](C[NH2+]C2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)C1 ZINC000183789249 822528424 /nfs/dbraw/zinc/52/84/24/822528424.db2.gz XULNELAZVGZYTQ-MSOLQXFVSA-N 1 0 388.552 4.114 20 0 GIADRO C[C@@H]([NH2+]C[C@H](O)c1cc(F)ccc1F)c1cccc(OCc2ccccn2)c1 ZINC000179694697 822529022 /nfs/dbraw/zinc/52/90/22/822529022.db2.gz PYLNFIYKWMTEMJ-QRQCRPRQSA-N 1 0 384.426 4.323 20 0 GIADRO CC(=O)Nc1cccc(C[NH2+][C@@H](C)c2cccc(OCc3ccccn3)c2)c1 ZINC000179694921 822529076 /nfs/dbraw/zinc/52/90/76/822529076.db2.gz HWDDQMPIBXWKEA-KRWDZBQOSA-N 1 0 375.472 4.470 20 0 GIADRO C[C@H]([NH2+]Cc1cnn(C)c1C(F)(F)F)c1cccc(OCc2ccccn2)c1 ZINC000179697196 822529813 /nfs/dbraw/zinc/52/98/13/822529813.db2.gz VOHZDTSCSMKVKM-AWEZNQCLSA-N 1 0 390.409 4.264 20 0 GIADRO C[C@@H]([NH2+][C@H](c1ccccc1)C1CC1)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000179698708 822529921 /nfs/dbraw/zinc/52/99/21/822529921.db2.gz GEHXHRHRTIQVHC-QVKFZJNVSA-N 1 0 379.529 4.384 20 0 GIADRO CSCC1CCC(NC(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000454767512 822530387 /nfs/dbraw/zinc/53/03/87/822530387.db2.gz KYOFABWTAHVJMQ-MAKTXDPSSA-N 1 0 389.609 4.118 20 0 GIADRO Cn1cc(C[NH2+]Cc2cc3cc(Br)ccc3[nH]2)c(-c2ccncc2)n1 ZINC000183820095 822531835 /nfs/dbraw/zinc/53/18/35/822531835.db2.gz KWGJVIMNZHXKFJ-UHFFFAOYSA-N 1 0 396.292 4.016 20 0 GIADRO C[C@@H](NC(=O)N1CCc2ccc(-c3ccccc3)cc2C1)C1=CC[N@H+](C)CC1 ZINC000454778685 822532436 /nfs/dbraw/zinc/53/24/36/822532436.db2.gz SLQPDENGGFGGQH-GOSISDBHSA-N 1 0 375.516 4.072 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cccc(C[S@](C)=O)c3)cc2)C1 ZINC000046934676 822532551 /nfs/dbraw/zinc/53/25/51/822532551.db2.gz CVECSELHJJPAOJ-XGCWNURASA-N 1 0 384.545 4.049 20 0 GIADRO CC(=O)N1CCc2cc(C(=O)Nc3ccc(C[N@H+]4CCC[C@H](C)C4)cc3)ccc21 ZINC000046934531 822532559 /nfs/dbraw/zinc/53/25/59/822532559.db2.gz YVUVTZFOHLFHBZ-KRWDZBQOSA-N 1 0 391.515 4.080 20 0 GIADRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000179711245 822532699 /nfs/dbraw/zinc/53/26/99/822532699.db2.gz NPAIANWBZROAMK-MAUKXSAKSA-N 1 0 376.460 4.195 20 0 GIADRO C[C@H](NC(=O)NC[C@H]1CSc2ccccc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000454780552 822532770 /nfs/dbraw/zinc/53/27/70/822532770.db2.gz XRDFCQZSEOJJAX-SXLOBPIMSA-N 1 0 395.572 4.086 20 0 GIADRO COc1ccc(OC)c(C[NH2+]Cc2cc3cc(Br)ccc3[nH]2)c1 ZINC000183825626 822532892 /nfs/dbraw/zinc/53/28/92/822532892.db2.gz KAEKIAZQIXAOJM-UHFFFAOYSA-N 1 0 375.266 4.237 20 0 GIADRO Cc1cc(C[N@@H+]2CCC[C@@H](C3(C)OCCO3)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000183848312 822535422 /nfs/dbraw/zinc/53/54/22/822535422.db2.gz HTHJNEHRVIUDHK-QGZVFWFLSA-N 1 0 387.911 4.080 20 0 GIADRO CC[C@@H]([NH2+]CC(=O)Nc1ccnn1C1CCCC1)c1ccccc1OC(F)F ZINC000179723615 822535528 /nfs/dbraw/zinc/53/55/28/822535528.db2.gz HZYDTLUZYRCDBE-MRXNPFEDSA-N 1 0 392.450 4.279 20 0 GIADRO Cc1nc(-c2cccc(NC(=O)C[NH2+][C@H](CCCO)c3ccccc3)c2)cs1 ZINC000179728455 822536369 /nfs/dbraw/zinc/53/63/69/822536369.db2.gz ZYSGQKMBWFPBKK-HXUWFJFHSA-N 1 0 395.528 4.160 20 0 GIADRO CCc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179729035 822536633 /nfs/dbraw/zinc/53/66/33/822536633.db2.gz UFXMOHNBOKTKSG-NYHFZMIOSA-N 1 0 380.488 4.088 20 0 GIADRO CCCCOc1cccc(NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)c1 ZINC000179731422 822537343 /nfs/dbraw/zinc/53/73/43/822537343.db2.gz SARAZGFQKZKYCD-UHFFFAOYSA-N 1 0 396.531 4.322 20 0 GIADRO C[C@@H](NC(=O)C[NH2+][C@H](CCCO)c1ccccc1)c1ccc(Cl)cc1Cl ZINC000179732959 822537785 /nfs/dbraw/zinc/53/77/85/822537785.db2.gz JVTAOKMCOMALTD-AUUYWEPGSA-N 1 0 395.330 4.274 20 0 GIADRO CC1CC[NH+](CCCCNC(=O)c2ccc(C3SCCS3)cc2)CC1 ZINC000047016209 822537805 /nfs/dbraw/zinc/53/78/05/822537805.db2.gz FNRLMABFGPLASH-UHFFFAOYSA-N 1 0 378.607 4.407 20 0 GIADRO CCOc1ccccc1[C@@H](CC)[NH2+][C@H](C)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000179736539 822538639 /nfs/dbraw/zinc/53/86/39/822538639.db2.gz PBKKEPAITURWDV-CRAIPNDOSA-N 1 0 386.492 4.170 20 0 GIADRO CCOc1cc(C[N@@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)cc(Cl)c1OC ZINC000179736676 822538921 /nfs/dbraw/zinc/53/89/21/822538921.db2.gz CBVNNNDFYDLQIR-CQSZACIVSA-N 1 0 398.931 4.094 20 0 GIADRO Cc1oc(-c2ccccc2)nc1CC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000047037816 822538934 /nfs/dbraw/zinc/53/89/34/822538934.db2.gz CEIARHOMJREPPI-HDICACEKSA-N 1 0 383.536 4.067 20 0 GIADRO CN(C)C(=O)Sc1cccc(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)c1 ZINC000179737022 822539012 /nfs/dbraw/zinc/53/90/12/822539012.db2.gz PZLUWFRNDZNDKI-NRFANRHFSA-N 1 0 398.528 4.472 20 0 GIADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)Cc2csc(-c3ccccc3)n2)C1 ZINC000047039664 822539103 /nfs/dbraw/zinc/53/91/03/822539103.db2.gz HCQWMDJMQVHLFR-QZTJIDSGSA-N 1 0 385.577 4.227 20 0 GIADRO OC[C@@H]([NH2+]Cc1ccc(Cl)c2cccnc12)c1cccc(Br)c1 ZINC000183880111 822539806 /nfs/dbraw/zinc/53/98/06/822539806.db2.gz BULSENXWJVQPJB-QGZVFWFLSA-N 1 0 391.696 4.474 20 0 GIADRO CSc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179740107 822540004 /nfs/dbraw/zinc/54/00/04/822540004.db2.gz RLJSTLLWDGYLMD-SPLOXXLWSA-N 1 0 398.528 4.248 20 0 GIADRO CSc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179740121 822540026 /nfs/dbraw/zinc/54/00/26/822540026.db2.gz RLJSTLLWDGYLMD-QKKBWIMNSA-N 1 0 398.528 4.248 20 0 GIADRO CCOc1ccccc1[C@@H](CC)[NH2+]CC(=O)Nc1ccccc1OC(F)F ZINC000179740365 822540105 /nfs/dbraw/zinc/54/01/05/822540105.db2.gz NYJLWJSPWAZUOQ-OAHLLOKOSA-N 1 0 378.419 4.366 20 0 GIADRO CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](Cc2ccc(CSC(F)F)o2)C1 ZINC000179741309 822540579 /nfs/dbraw/zinc/54/05/79/822540579.db2.gz AISYPLOOZZLINN-GFCCVEGCSA-N 1 0 376.469 4.082 20 0 GIADRO C[NH+](C)CC1(CNC(=O)Nc2cccc(C3SCCS3)c2)CCCC1 ZINC000183891652 822541610 /nfs/dbraw/zinc/54/16/10/822541610.db2.gz WWVBPBQDFUMSKE-UHFFFAOYSA-N 1 0 379.595 4.409 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N1CCC[C@@H](c2ccccc2)CC1 ZINC000179749443 822542263 /nfs/dbraw/zinc/54/22/63/822542263.db2.gz YXEUIFYEZYNAOK-JOCHJYFZSA-N 1 0 392.547 4.277 20 0 GIADRO NC(=O)c1cccc(CC[NH2+][C@@H](c2ccco2)c2ccc(Br)cc2)c1 ZINC000183897309 822542362 /nfs/dbraw/zinc/54/23/62/822542362.db2.gz RCVMLAOQZHKBKV-LJQANCHMSA-N 1 0 399.288 4.063 20 0 GIADRO CC[NH+](CC)Cc1cccc(N[C@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)c1 ZINC000179750363 822542364 /nfs/dbraw/zinc/54/23/64/822542364.db2.gz ARRJRHNKFPREIO-MRXNPFEDSA-N 1 0 390.549 4.114 20 0 GIADRO Cc1ccc(C)c(NC(=O)[C@H](C)[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)c1 ZINC000179750811 822542609 /nfs/dbraw/zinc/54/26/09/822542609.db2.gz UAJAFSRKDGVJGM-AOMKIAJQSA-N 1 0 380.488 4.143 20 0 GIADRO CCc1noc(C2CCC([NH2+]C[C@H](O)c3cccc(C(F)(F)F)c3)CC2)n1 ZINC000183899400 822542682 /nfs/dbraw/zinc/54/26/82/822542682.db2.gz RTGYMILNIOINMP-MOQPWLNLSA-N 1 0 383.414 4.000 20 0 GIADRO Cc1ccc(C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)c(Br)c1 ZINC000179753494 822543271 /nfs/dbraw/zinc/54/32/71/822543271.db2.gz UDUKAUXTKTYVOQ-UHFFFAOYSA-N 1 0 393.369 4.372 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)Nc1cc(F)ccc1SCC(F)F ZINC000454838272 822543721 /nfs/dbraw/zinc/54/37/21/822543721.db2.gz RVLIQZFEUDATRY-UHFFFAOYSA-N 1 0 377.476 4.425 20 0 GIADRO C[C@@H](Nc1cccc(C[NH+]2CCCCC2)c1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000179756127 822544072 /nfs/dbraw/zinc/54/40/72/822544072.db2.gz MEYRATJMVGZALG-MRXNPFEDSA-N 1 0 390.524 4.388 20 0 GIADRO CC(C)c1ccccc1NC(=O)C[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179758036 822544694 /nfs/dbraw/zinc/54/46/94/822544694.db2.gz QKIKPTFQYBLYAR-QHCPKHFHSA-N 1 0 380.488 4.261 20 0 GIADRO Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179759702 822544849 /nfs/dbraw/zinc/54/48/49/822544849.db2.gz PTRZMDPTICRKOL-OAQYLSRUSA-N 1 0 386.879 4.099 20 0 GIADRO Cc1ccc(NC(=O)N2CC3(CCC3)[C@H]2c2ccco2)c(OCC[NH+](C)C)c1 ZINC000454847119 822545074 /nfs/dbraw/zinc/54/50/74/822545074.db2.gz XOSZIPJEFSIDRP-HXUWFJFHSA-N 1 0 383.492 4.288 20 0 GIADRO Cc1cc(C)c(NC(=O)C[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)c(C)c1 ZINC000179759915 822545125 /nfs/dbraw/zinc/54/51/25/822545125.db2.gz BTTSOGBTVDBXEP-QHCPKHFHSA-N 1 0 380.488 4.062 20 0 GIADRO C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179760649 822545350 /nfs/dbraw/zinc/54/53/50/822545350.db2.gz RLVSSFMOMVLKOP-YLJYHZDGSA-N 1 0 396.510 4.025 20 0 GIADRO C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H](C)[C@H](OC1CCOCC1)c1ccccc1 ZINC000183914548 822545402 /nfs/dbraw/zinc/54/54/02/822545402.db2.gz GWPZARYXYMIURN-WWMYMODYSA-N 1 0 377.525 4.022 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N(C)[C@H](C)c1ccc(F)cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000179761417 822545839 /nfs/dbraw/zinc/54/58/39/822545839.db2.gz JZVHXGNVLPGUHK-HZPDHXFCSA-N 1 0 397.494 4.044 20 0 GIADRO COc1cc(CNC(=O)Nc2cccc(C[NH+](C)C)c2)ccc1OC1CCCC1 ZINC000047126993 822546194 /nfs/dbraw/zinc/54/61/94/822546194.db2.gz LEEKBPGYUCMHDD-UHFFFAOYSA-N 1 0 397.519 4.400 20 0 GIADRO CC[C@@H](Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)c1cc(F)ccc1F ZINC000179763892 822546874 /nfs/dbraw/zinc/54/68/74/822546874.db2.gz VMKMEQZSVFJPRR-OAQYLSRUSA-N 1 0 387.474 4.225 20 0 GIADRO CSc1ccc([C@@H](C)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)cc1 ZINC000179765602 822547440 /nfs/dbraw/zinc/54/74/40/822547440.db2.gz ZNDFHUWAMAEGQI-MRXNPFEDSA-N 1 0 383.561 4.279 20 0 GIADRO CSc1ccc([C@H](C)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)cc1 ZINC000179765589 822547449 /nfs/dbraw/zinc/54/74/49/822547449.db2.gz ZNDFHUWAMAEGQI-INIZCTEOSA-N 1 0 383.561 4.279 20 0 GIADRO Cc1ccc(-c2ccc(C(=O)N3CCC([N@H+](C)CCCO)CC3)c(F)c2)cc1C ZINC000179767143 822548047 /nfs/dbraw/zinc/54/80/47/822548047.db2.gz GRPFVCZZHDOFEK-UHFFFAOYSA-N 1 0 398.522 4.028 20 0 GIADRO Cc1nc(CSc2ccc(C(=O)NCC[N@H+]3CCC[C@@H](C)C3)cc2)cs1 ZINC000047146070 822548396 /nfs/dbraw/zinc/54/83/96/822548396.db2.gz FHDLXFQJZYYRKJ-OAHLLOKOSA-N 1 0 389.590 4.206 20 0 GIADRO Cc1csc(SCc2ccccc2C(=O)NCC[N@H+]2CCCC[C@H]2C)n1 ZINC000047143184 822548403 /nfs/dbraw/zinc/54/84/03/822548403.db2.gz SUENERIQWHYQQB-MRXNPFEDSA-N 1 0 389.590 4.348 20 0 GIADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)Nc3ccc(OC4CCCC4)c(F)c3)C2)C1 ZINC000454868277 822548671 /nfs/dbraw/zinc/54/86/71/822548671.db2.gz KKOLTLILEXGOBS-OAQYLSRUSA-N 1 0 375.488 4.097 20 0 GIADRO CC1(C)CN(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)[C@@H]2CCC[C@@H]21 ZINC000454876893 822549954 /nfs/dbraw/zinc/54/99/54/822549954.db2.gz UGFKGLCAUBYICH-SJJHQCBESA-N 1 0 387.490 4.012 20 0 GIADRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000454879757 822550182 /nfs/dbraw/zinc/55/01/82/822550182.db2.gz ZHNFKACVKGIGBZ-TZIWHRDSSA-N 1 0 379.504 4.038 20 0 GIADRO C[C@@H](Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)c1ccc(Cl)s1 ZINC000179774898 822550195 /nfs/dbraw/zinc/55/01/95/822550195.db2.gz BFDQBKOZCFAUCJ-CYBMUJFWSA-N 1 0 377.941 4.272 20 0 GIADRO C[C@H](Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)c1ccc(Cl)s1 ZINC000179774888 822550225 /nfs/dbraw/zinc/55/02/25/822550225.db2.gz BFDQBKOZCFAUCJ-ZDUSSCGKSA-N 1 0 377.941 4.272 20 0 GIADRO CC(C)OC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1 ZINC000179775710 822550425 /nfs/dbraw/zinc/55/04/25/822550425.db2.gz ZTYBTEORWRMVKR-INIZCTEOSA-N 1 0 380.488 4.451 20 0 GIADRO C[C@@H](NC(=O)C[NH2+][C@H](C)c1ccc(NC(=O)C2CC2)cc1)c1ccccc1Cl ZINC000179779338 822551222 /nfs/dbraw/zinc/55/12/22/822551222.db2.gz GCXYXCPXEUQUJO-HUUCEWRRSA-N 1 0 399.922 4.217 20 0 GIADRO Cn1cc(C[NH+]2CCC(Oc3ccc(F)cc3F)CC2)c(-c2cccs2)n1 ZINC000179785598 822552466 /nfs/dbraw/zinc/55/24/66/822552466.db2.gz YEXYQJWUKBRFQN-UHFFFAOYSA-N 1 0 389.471 4.470 20 0 GIADRO CO[C@H](C(=O)N(c1cccc(SC)c1)C1CC[NH+](C)CC1)c1ccccc1 ZINC000183950464 822552563 /nfs/dbraw/zinc/55/25/63/822552563.db2.gz JFRICHCXJBLDEY-NRFANRHFSA-N 1 0 384.545 4.223 20 0 GIADRO O=C(NCCc1cccs1)C1CC[NH+](Cc2ccc(C(F)F)cc2)CC1 ZINC000183965199 822555009 /nfs/dbraw/zinc/55/50/09/822555009.db2.gz XUEWEPCVOGNIGB-UHFFFAOYSA-N 1 0 378.488 4.257 20 0 GIADRO C[C@@H]1CCC[C@@H]([NH+]2CCC(Nc3ccc(CN4C(=O)CCCC4=O)cc3)CC2)C1 ZINC000183972131 822556126 /nfs/dbraw/zinc/55/61/26/822556126.db2.gz OOHZTNMSIQYMHX-XMSQKQJNSA-N 1 0 397.563 4.181 20 0 GIADRO CC[C@@H]([NH2+]Cc1ccc(C(F)F)cc1)c1ccccc1OCC(=O)N(C)C ZINC000183987827 822558692 /nfs/dbraw/zinc/55/86/92/822558692.db2.gz WOGNKBKQHOCYJQ-GOSISDBHSA-N 1 0 376.447 4.332 20 0 GIADRO Cn1cc(-c2nc(C[N@@H+]3CCC[C@H](c4nc5ccccc5o4)C3)cs2)cn1 ZINC000047266107 822559911 /nfs/dbraw/zinc/55/99/11/822559911.db2.gz PSPXTIGYZIYDNM-AWEZNQCLSA-N 1 0 379.489 4.064 20 0 GIADRO C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CCC[C@@H]1CCCCO1 ZINC000183994167 822560104 /nfs/dbraw/zinc/56/01/04/822560104.db2.gz DVOXBDXKFDTKFI-HOCLYGCPSA-N 1 0 388.430 4.241 20 0 GIADRO C[C@H]([NH2+]Cc1cc(=O)n2ccsc2n1)C(c1ccccc1)c1ccccc1 ZINC000184011841 822563537 /nfs/dbraw/zinc/56/35/37/822563537.db2.gz FOWAQUUVBXXZCW-INIZCTEOSA-N 1 0 375.497 4.066 20 0 GIADRO O=C(C[C@H](O)c1ccc(Cl)cc1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000179837818 822563533 /nfs/dbraw/zinc/56/35/33/822563533.db2.gz YUUBXQALZIFTEW-KBRMVUAJSA-N 1 0 398.934 4.075 20 0 GIADRO COc1ccc2nc(NC(=O)C3CC[NH+](Cc4ccccc4)CC3)sc2c1 ZINC000047304010 822563681 /nfs/dbraw/zinc/56/36/81/822563681.db2.gz JDBBZASIOXFWHK-UHFFFAOYSA-N 1 0 381.501 4.156 20 0 GIADRO Cc1cc(C)c(-c2csc(NC(=O)C[NH2+][C@H](C)C3CCOCC3)n2)c(C)c1 ZINC000179839026 822563978 /nfs/dbraw/zinc/56/39/78/822563978.db2.gz QNANCOJWGLJVHS-MRXNPFEDSA-N 1 0 387.549 4.079 20 0 GIADRO Cc1nc(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)c(-c2ccccc2)o1 ZINC000184014580 822564180 /nfs/dbraw/zinc/56/41/80/822564180.db2.gz POYQGUPNAISJHP-UHFFFAOYSA-N 1 0 389.499 4.087 20 0 GIADRO COc1cc(C)c([C@@H](C)NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000047307223 822564313 /nfs/dbraw/zinc/56/43/13/822564313.db2.gz DDSALLGNUPCHGL-GOSISDBHSA-N 1 0 396.531 4.102 20 0 GIADRO Cc1ccc(N[C@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1C(=O)NC(C)C ZINC000179842013 822564529 /nfs/dbraw/zinc/56/45/29/822564529.db2.gz GFHTZSCZXHQPLQ-GOSISDBHSA-N 1 0 383.536 4.247 20 0 GIADRO C[C@H](Nc1cccc(N2CCCCC2=O)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000179845254 822565093 /nfs/dbraw/zinc/56/50/93/822565093.db2.gz OZOVUNJFUTUXMC-SFHVURJKSA-N 1 0 381.520 4.317 20 0 GIADRO CSC1(CNC(=O)N[C@@H]2CC[C@H](c3cccc(Cl)c3)C2)CC[NH+](C)CC1 ZINC000454981293 822565741 /nfs/dbraw/zinc/56/57/41/822565741.db2.gz XHUXQUZEOYYPRR-FUHWJXTLSA-N 1 0 396.000 4.103 20 0 GIADRO CCc1cccc(C)c1NC(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000047324433 822566108 /nfs/dbraw/zinc/56/61/08/822566108.db2.gz QMMXWKPCOSWSPU-UHFFFAOYSA-N 1 0 394.563 4.281 20 0 GIADRO CCC(=O)c1cccc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)c1 ZINC000454984747 822566114 /nfs/dbraw/zinc/56/61/14/822566114.db2.gz FDTUIAWXEYINSQ-SFHVURJKSA-N 1 0 379.504 4.265 20 0 GIADRO Cc1cc(NC(=O)C2CC[NH+](Cc3ccccc3OC3CCCC3)CC2)no1 ZINC000179855343 822566828 /nfs/dbraw/zinc/56/68/28/822566828.db2.gz CYQHIPFGKRMMET-UHFFFAOYSA-N 1 0 383.492 4.155 20 0 GIADRO O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)N1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000455000996 822568327 /nfs/dbraw/zinc/56/83/27/822568327.db2.gz YYUPSCROQKXBOP-FCHUYYIVSA-N 1 0 383.536 4.204 20 0 GIADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2ccnc(OC3CCCCC3)c2)CC1 ZINC000179865004 822568384 /nfs/dbraw/zinc/56/83/84/822568384.db2.gz DIXAMZYPJCXZJT-UHFFFAOYSA-N 1 0 397.519 4.123 20 0 GIADRO Cc1c(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)cnn1CCC(C)C ZINC000455005541 822569191 /nfs/dbraw/zinc/56/91/91/822569191.db2.gz GSUFJBMVMNXSPW-LJQANCHMSA-N 1 0 397.567 4.223 20 0 GIADRO CC[NH+](CC)CCOc1ccc(CNC(=O)Nc2c(C)cccc2C)cc1OC ZINC000047347139 822569509 /nfs/dbraw/zinc/56/95/09/822569509.db2.gz RUCFVDJEKDXMRV-UHFFFAOYSA-N 1 0 399.535 4.354 20 0 GIADRO O=C(NCc1ccc(C(F)F)cc1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000184064067 822573410 /nfs/dbraw/zinc/57/34/10/822573410.db2.gz MOLQQJRHTRDKKQ-INIZCTEOSA-N 1 0 393.503 4.397 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3ncccc3C(F)(F)F)cc2)C1 ZINC000179905136 822574340 /nfs/dbraw/zinc/57/43/40/822574340.db2.gz XYRSIDOXQRVSNH-OAHLLOKOSA-N 1 0 391.437 4.262 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)[C@H]2C[C@H]2c2c(F)cccc2F)CC1 ZINC000184081845 822575042 /nfs/dbraw/zinc/57/50/42/822575042.db2.gz LQRYHFVFYNGGKZ-MSOLQXFVSA-N 1 0 378.507 4.429 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2cccnc2C(F)(F)F)C1 ZINC000179912212 822575623 /nfs/dbraw/zinc/57/56/23/822575623.db2.gz SJLWVZBWQCBYET-HNNXBMFYSA-N 1 0 391.437 4.262 20 0 GIADRO CC[C@H]([NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1)c1nccn1C ZINC000184084419 822575641 /nfs/dbraw/zinc/57/56/41/822575641.db2.gz XICXVHUZZQPULQ-SFHVURJKSA-N 1 0 381.351 4.432 20 0 GIADRO COc1cc(C)c([C@H](C)[NH2+]CCCc2nc(-c3ccc(F)cc3)no2)cc1OC ZINC000184090444 822576303 /nfs/dbraw/zinc/57/63/03/822576303.db2.gz LSDILFSBGBUADE-HNNXBMFYSA-N 1 0 399.466 4.485 20 0 GIADRO Cc1cc(Br)ccc1CN(C)C(=O)NCCCCC[NH+]1CCCC1 ZINC000455034670 822576380 /nfs/dbraw/zinc/57/63/80/822576380.db2.gz NXZUYPPLNWEUAN-UHFFFAOYSA-N 1 0 396.373 4.165 20 0 GIADRO COc1ccc(C[N@H+](Cc2cnc3c(cnn3C(C)C)c2)[C@H](CO)C(C)C)cc1 ZINC000179924597 822578167 /nfs/dbraw/zinc/57/81/67/822578167.db2.gz FSJTZQOUXQRKFD-JOCHJYFZSA-N 1 0 396.535 4.040 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)CC1 ZINC000184107773 822579320 /nfs/dbraw/zinc/57/93/20/822579320.db2.gz GXNKCVKMNZSOCR-VQTJNVASSA-N 1 0 378.507 4.429 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2F)CC1 ZINC000184107742 822579350 /nfs/dbraw/zinc/57/93/50/822579350.db2.gz GXNKCVKMNZSOCR-WOJBJXKFSA-N 1 0 378.507 4.429 20 0 GIADRO CC1CC[NH+](CCc2cccc(NC(=O)N3C[C@]4(CCCO4)[C@@H]3C3CC3)c2)CC1 ZINC000455051801 822580901 /nfs/dbraw/zinc/58/09/01/822580901.db2.gz FLIOSZZKOGOAQN-LADGPHEKSA-N 1 0 397.563 4.136 20 0 GIADRO CN(C(=O)c1cccs1)c1ccccc1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000047460339 822581428 /nfs/dbraw/zinc/58/14/28/822581428.db2.gz KJBQPAHEMPAZDH-UHFFFAOYSA-N 1 0 393.512 4.339 20 0 GIADRO CC[C@H]1Cc2ccccc2CN1C(=O)Nc1ccccc1N1CC[NH+](CC)CC1 ZINC000184120823 822581645 /nfs/dbraw/zinc/58/16/45/822581645.db2.gz ZNQZSXFVWGDRTD-NRFANRHFSA-N 1 0 392.547 4.197 20 0 GIADRO O=C(NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000455056206 822581951 /nfs/dbraw/zinc/58/19/51/822581951.db2.gz LGADOZQRMHLOJE-PWXKEOIMSA-N 1 0 382.335 4.023 20 0 GIADRO Cc1ccc(CCNC(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)nc1 ZINC000455057652 822582105 /nfs/dbraw/zinc/58/21/05/822582105.db2.gz MLLHTHAXLDXSGK-UHFFFAOYSA-N 1 0 380.536 4.029 20 0 GIADRO C[C@H](F)CCNC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000455060631 822582476 /nfs/dbraw/zinc/58/24/76/822582476.db2.gz SXIPHESEDQNWIA-LXZKKBNFSA-N 1 0 389.437 4.136 20 0 GIADRO CCS(=O)(=O)c1ccc(C[NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)cc1 ZINC000179947062 822583046 /nfs/dbraw/zinc/58/30/46/822583046.db2.gz WLNHRZSVMMYFQI-SFHVURJKSA-N 1 0 399.434 4.156 20 0 GIADRO Cc1nn(C)cc1[C@H](C)[NH2+][C@H]1CCN(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179956206 822585460 /nfs/dbraw/zinc/58/54/60/822585460.db2.gz YFSWEMGDJHFKPD-QTJFZDIUSA-N 1 0 378.923 4.396 20 0 GIADRO COCCOc1ccc([C@H](C)[NH2+][C@@H]2CCCOc3cc(F)ccc32)cc1OC ZINC000179961345 822586048 /nfs/dbraw/zinc/58/60/48/822586048.db2.gz HNIYSTFJMARGPN-HNAYVOBHSA-N 1 0 389.467 4.424 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)cc1 ZINC000047522521 822586907 /nfs/dbraw/zinc/58/69/07/822586907.db2.gz XHXHIXWGRYMPBD-FOIQADDNSA-N 1 0 395.478 4.265 20 0 GIADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000179966403 822587131 /nfs/dbraw/zinc/58/71/31/822587131.db2.gz DPDNHDQNLNRSOE-DOMZBBRYSA-N 1 0 377.847 4.095 20 0 GIADRO C[C@H]([NH2+]CC(=O)N(C)c1nccs1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000179968830 822587603 /nfs/dbraw/zinc/58/76/03/822587603.db2.gz XACLNZWCKGSXOW-AWEZNQCLSA-N 1 0 385.464 4.388 20 0 GIADRO C[C@@H](CCCO)[NH2+][C@H](c1ccc(F)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000184161289 822588357 /nfs/dbraw/zinc/58/83/57/822588357.db2.gz ZWJYJYCWQBSLRB-OXJNMPFZSA-N 1 0 394.531 4.265 20 0 GIADRO C[C@@H](CC(=O)Nc1ccc(OCC[NH+](C)C)cc1)C(=O)c1ccc(Cl)cc1 ZINC000179975071 822588716 /nfs/dbraw/zinc/58/87/16/822588716.db2.gz JGIREGUENRZWJB-HNNXBMFYSA-N 1 0 388.895 4.128 20 0 GIADRO Fc1ccc(-c2noc(CCC[NH2+]Cc3csc(-c4ccccn4)n3)n2)cc1 ZINC000184169256 822589942 /nfs/dbraw/zinc/58/99/42/822589942.db2.gz HLLPERFAAWRFPH-UHFFFAOYSA-N 1 0 395.463 4.117 20 0 GIADRO COc1ccc(C[NH2+]CCCc2nc(-c3ccc(F)cc3)no2)cc1Cl ZINC000184169237 822589954 /nfs/dbraw/zinc/58/99/54/822589954.db2.gz HFUIWRHJKZRGHO-UHFFFAOYSA-N 1 0 375.831 4.260 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1cc(F)c(N2CCCC2)c(F)c1 ZINC000179982760 822590343 /nfs/dbraw/zinc/59/03/43/822590343.db2.gz YEFPWGMOARWXAS-IERDGZPVSA-N 1 0 386.490 4.283 20 0 GIADRO CCN(C(=O)CCCc1nc2ccccc2[nH]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000184177041 822591136 /nfs/dbraw/zinc/59/11/36/822591136.db2.gz YDLNRFHHKOPPKL-HXUWFJFHSA-N 1 0 390.531 4.009 20 0 GIADRO Cc1cccc(COc2ccc([C@H](C)[NH2+]C[C@@H]3COC4(CCOCC4)O3)cc2)c1 ZINC000179986657 822591211 /nfs/dbraw/zinc/59/12/11/822591211.db2.gz KJRXGQKKMSBPEO-WMZHIEFXSA-N 1 0 397.515 4.147 20 0 GIADRO CC(F)(F)CCCNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000455126862 822593162 /nfs/dbraw/zinc/59/31/62/822593162.db2.gz MSOMYHQPWJVNFX-MOPGFXCFSA-N 1 0 379.495 4.118 20 0 GIADRO Cc1ccccc1COc1ccc([C@H](C)[NH2+]C[C@@H]2COC3(CCOCC3)O2)cc1 ZINC000179998872 822593138 /nfs/dbraw/zinc/59/31/38/822593138.db2.gz LYVFEGVHKAWUIT-WMZHIEFXSA-N 1 0 397.515 4.147 20 0 GIADRO Brc1ccc([C@@H]([NH2+]Cc2cccnc2-n2cccn2)C2CC2)cc1 ZINC000180009603 822595380 /nfs/dbraw/zinc/59/53/80/822595380.db2.gz YAJZFQHLTHEKHS-SFHVURJKSA-N 1 0 383.293 4.271 20 0 GIADRO Brc1ccc([C@@H]([NH2+]Cc2cccnc2-n2ccnc2)C2CC2)cc1 ZINC000180009882 822595532 /nfs/dbraw/zinc/59/55/32/822595532.db2.gz LEXNDCOMGUWIHX-SFHVURJKSA-N 1 0 383.293 4.271 20 0 GIADRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3ccccc3OC(F)F)ccc2NC1=O ZINC000180010054 822595582 /nfs/dbraw/zinc/59/55/82/822595582.db2.gz KQDGNUPTRGBFAP-WBMJQRKESA-N 1 0 376.403 4.248 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000180010258 822595643 /nfs/dbraw/zinc/59/56/43/822595643.db2.gz BTSBRNJFFSRHLN-KKSFZXQISA-N 1 0 386.923 4.105 20 0 GIADRO Cc1csc(Sc2ccc(NC(=O)N(C)CC[N@H+](C)C3CC3)cc2)n1 ZINC000184205555 822596051 /nfs/dbraw/zinc/59/60/51/822596051.db2.gz DIKFJZFVFZPIRX-UHFFFAOYSA-N 1 0 376.551 4.161 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)N3CC4(CCC4)[C@H]3c3ccco3)c2)CC1 ZINC000455142477 822596112 /nfs/dbraw/zinc/59/61/12/822596112.db2.gz DFZMYDRXWPCTCP-OAQYLSRUSA-N 1 0 394.519 4.181 20 0 GIADRO Cc1nn(C)c(OCC(F)(F)F)c1C[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000180015818 822596992 /nfs/dbraw/zinc/59/69/92/822596992.db2.gz OBPBHGJVMHTTHN-HNNXBMFYSA-N 1 0 399.482 4.284 20 0 GIADRO COc1ccc([C@H]([NH2+]C2CCN(C(=O)c3ccccc3F)CC2)C(C)C)cc1 ZINC000180017120 822597468 /nfs/dbraw/zinc/59/74/68/822597468.db2.gz SUCCVZHSWJPGIQ-JOCHJYFZSA-N 1 0 384.495 4.426 20 0 GIADRO CC(C)[C@H]([NH2+]Cc1cccnc1-n1cncn1)c1cccc(C(F)(F)F)c1 ZINC000180019652 822597845 /nfs/dbraw/zinc/59/78/45/822597845.db2.gz GEQWJWNEHXQRQI-KRWDZBQOSA-N 1 0 375.398 4.168 20 0 GIADRO Cc1nc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c(-c2ccccc2)o1 ZINC000184218321 822597851 /nfs/dbraw/zinc/59/78/51/822597851.db2.gz PXUNRDFDXUBVCJ-QGZVFWFLSA-N 1 0 381.501 4.278 20 0 GIADRO C[C@@H]1CN(c2ccc(C[NH2+][C@@H](c3ccc(F)cc3)C3CCCC3)cn2)CCO1 ZINC000180021033 822598408 /nfs/dbraw/zinc/59/84/08/822598408.db2.gz ORPMJMULNLVGCU-UZUQRXQVSA-N 1 0 383.511 4.467 20 0 GIADRO O=C1CCCN1C[C@H]([NH2+][C@@H]1CCc2c1cccc2Br)c1ccccc1 ZINC000180023344 822598978 /nfs/dbraw/zinc/59/89/78/822598978.db2.gz DIPMCELYQBFDOK-UXHICEINSA-N 1 0 399.332 4.390 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)Nc1nc2c(s1)CCCC2 ZINC000180024262 822599121 /nfs/dbraw/zinc/59/91/21/822599121.db2.gz IOJALVSQJKHQDS-UHFFFAOYSA-N 1 0 399.564 4.187 20 0 GIADRO Cn1cc(CCC[N@H+](C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)cn1 ZINC000047660233 822599219 /nfs/dbraw/zinc/59/92/19/822599219.db2.gz NTIOBWOLJRZCAN-UHFFFAOYSA-N 1 0 385.515 4.337 20 0 GIADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)Nc1ccc(OC(F)F)c(F)c1 ZINC000047713958 822602316 /nfs/dbraw/zinc/60/23/16/822602316.db2.gz HGKAGDQAFZMAIR-CQSZACIVSA-N 1 0 399.438 4.447 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCC1)Nc1ccc(OC(F)F)c(F)c1 ZINC000047714136 822602550 /nfs/dbraw/zinc/60/25/50/822602550.db2.gz UUGGGWUFGAXBKW-UHFFFAOYSA-N 1 0 393.409 4.345 20 0 GIADRO CCCC(=O)Nc1cccc(NC(=O)N(CC[NH+](C)C)Cc2ccccc2)c1 ZINC000047715482 822603020 /nfs/dbraw/zinc/60/30/20/822603020.db2.gz MLSIFVAPISLPKT-UHFFFAOYSA-N 1 0 382.508 4.021 20 0 GIADRO COc1cc(C[NH2+]Cc2cnn(-c3ccccc3)c2)ccc1OC1CCCC1 ZINC000047717706 822603468 /nfs/dbraw/zinc/60/34/68/822603468.db2.gz CKNNHEDQSVAWLX-UHFFFAOYSA-N 1 0 377.488 4.492 20 0 GIADRO COc1cc(C[NH2+]Cc2ccc(-n3cccn3)cc2)ccc1OC1CCCC1 ZINC000047717687 822603477 /nfs/dbraw/zinc/60/34/77/822603477.db2.gz CFHBIUZHPSWGAJ-UHFFFAOYSA-N 1 0 377.488 4.492 20 0 GIADRO COc1ccc([C@H]([NH2+]CC2(c3ccc(OC)cc3)CCOCC2)C2CC2)cc1 ZINC000180048649 822604252 /nfs/dbraw/zinc/60/42/52/822604252.db2.gz YBPDBFUWECCFLZ-HSZRJFAPSA-N 1 0 381.516 4.493 20 0 GIADRO CC(C)(C)OC(=O)c1cccc(C[NH2+][C@@H](CN2CCCC2=O)c2ccccc2)c1 ZINC000180054099 822605228 /nfs/dbraw/zinc/60/52/28/822605228.db2.gz ZRCPBDSOCKKYMR-NRFANRHFSA-N 1 0 394.515 4.095 20 0 GIADRO C[C@@H](C[S@](C)=O)[NH2+]Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 ZINC000184269869 822606291 /nfs/dbraw/zinc/60/62/91/822606291.db2.gz OJTAFVZVNRGUMC-OLRZCDJHSA-N 1 0 393.512 4.142 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1ccc2c(c1)nc(C1CC1)n2C ZINC000180060935 822606530 /nfs/dbraw/zinc/60/65/30/822606530.db2.gz IBVMSTAMIWEODM-UZLBHIALSA-N 1 0 375.520 4.168 20 0 GIADRO COc1cccc([C@H]2[C@@H](NC(=O)Nc3ccc(F)cc3F)CC[N@@H+]2C2CC2)c1 ZINC000180068658 822608630 /nfs/dbraw/zinc/60/86/30/822608630.db2.gz AUGIXQFWFGUEHX-PMACEKPBSA-N 1 0 387.430 4.073 20 0 GIADRO CSc1ccc([C@H](CNC(=O)Nc2cnn([C@@H](C)C3CC3)c2)[NH+](C)C)cc1 ZINC000455209645 822609310 /nfs/dbraw/zinc/60/93/10/822609310.db2.gz NJTAKHSONNKQQM-LIRRHRJNSA-N 1 0 387.553 4.000 20 0 GIADRO CSc1ccc([C@@H](CNC(=O)Nc2cnn([C@H](C)C3CC3)c2)[NH+](C)C)cc1 ZINC000455209639 822609388 /nfs/dbraw/zinc/60/93/88/822609388.db2.gz NJTAKHSONNKQQM-AUUYWEPGSA-N 1 0 387.553 4.000 20 0 GIADRO COc1ccccc1[C@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)C1CCCC1 ZINC000180076270 822610583 /nfs/dbraw/zinc/61/05/83/822610583.db2.gz YCXDYUMVDYCLSV-JOCHJYFZSA-N 1 0 387.545 4.261 20 0 GIADRO CCc1nn(C)cc1C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000180078579 822610994 /nfs/dbraw/zinc/61/09/94/822610994.db2.gz QHOJAAXDDNZBSF-UHFFFAOYSA-N 1 0 385.515 4.184 20 0 GIADRO CC(C)Cc1ccc([C@@H]([NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)C2CC2)cc1 ZINC000180080364 822611138 /nfs/dbraw/zinc/61/11/38/822611138.db2.gz QMDOKLWHMQEGOA-KSFYIVLOSA-N 1 0 386.561 4.334 20 0 GIADRO Cc1cccc(-c2cccc(C[NH2+][C@H](C)c3ccc(S(N)(=O)=O)cc3)c2)c1 ZINC000180083764 822611784 /nfs/dbraw/zinc/61/17/84/822611784.db2.gz UTDMPLLRVUUGKJ-QGZVFWFLSA-N 1 0 380.513 4.160 20 0 GIADRO Fc1ccc(C([NH2+]Cc2cccnc2-n2ccnc2)c2ccc(F)cc2)cc1 ZINC000180085854 822612263 /nfs/dbraw/zinc/61/22/63/822612263.db2.gz LLIQSNOHGHAOJP-UHFFFAOYSA-N 1 0 376.410 4.425 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(OCc2ccccn2)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000047826873 822613048 /nfs/dbraw/zinc/61/30/48/822613048.db2.gz UOLPTMGNEKEQCX-KRWDZBQOSA-N 1 0 387.483 4.396 20 0 GIADRO C[C@H]([NH2+]CCc1cc(F)cc2c1OCOC2)c1nc2ccc(Cl)cc2n1C ZINC000180092504 822613731 /nfs/dbraw/zinc/61/37/31/822613731.db2.gz UNMXXHLCPUKXJL-LBPRGKRZSA-N 1 0 389.858 4.126 20 0 GIADRO CC(C)(C)OC(=O)NC1CCC([NH2+]CCCCOc2ccc(F)cc2)CC1 ZINC000180091503 822613758 /nfs/dbraw/zinc/61/37/58/822613758.db2.gz QUINDCOSQLOODM-UHFFFAOYSA-N 1 0 380.504 4.410 20 0 GIADRO COc1ccc2oc([C@@H](C)[NH2+]C[C@H](O)COCc3ccccc3F)c(C)c2c1 ZINC000184319833 822614077 /nfs/dbraw/zinc/61/40/77/822614077.db2.gz YXIMFCSHNMTYEZ-WBVHZDCISA-N 1 0 387.451 4.117 20 0 GIADRO CC(C)[NH+]1CCC(NC(=O)NCc2ccccc2COCc2ccccc2)CC1 ZINC000047883986 822616276 /nfs/dbraw/zinc/61/62/76/822616276.db2.gz HXKNFTJKPKHVPX-UHFFFAOYSA-N 1 0 395.547 4.075 20 0 GIADRO CC(C)Oc1cccc([C@H](C)NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000047882487 822616304 /nfs/dbraw/zinc/61/63/04/822616304.db2.gz BSALEKAXEXEBOK-PXNSSMCTSA-N 1 0 385.508 4.264 20 0 GIADRO CC(C)[NH+]1CCC(NC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)CC1 ZINC000047884202 822616334 /nfs/dbraw/zinc/61/63/34/822616334.db2.gz VKRVUZXMIGFPED-LJQANCHMSA-N 1 0 375.513 4.149 20 0 GIADRO O=C(Nc1cccc(Cl)c1Br)NC1CC[NH+](C2CCC2)CC1 ZINC000455244317 822616473 /nfs/dbraw/zinc/61/64/73/822616473.db2.gz BJUPNXCVMYSZRS-UHFFFAOYSA-N 1 0 386.721 4.241 20 0 GIADRO COCCc1ccccc1NC(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000455244593 822616490 /nfs/dbraw/zinc/61/64/90/822616490.db2.gz CROIHKFBRBUFRX-UHFFFAOYSA-N 1 0 381.520 4.052 20 0 GIADRO CCc1nn(C)cc1C[NH2+][C@H](Cc1ccccc1C)c1ccc(OC)c(OC)c1 ZINC000180108814 822617053 /nfs/dbraw/zinc/61/70/53/822617053.db2.gz HADMUWZPNQZUEV-JOCHJYFZSA-N 1 0 393.531 4.382 20 0 GIADRO CCC(CC)n1nc(C)cc1C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000180108817 822617095 /nfs/dbraw/zinc/61/70/95/822617095.db2.gz VYVOGWQNLWBUPO-KRWDZBQOSA-N 1 0 388.581 4.256 20 0 GIADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)Nc3cccc(Cl)c3Br)C2)C1 ZINC000455247899 822617169 /nfs/dbraw/zinc/61/71/69/822617169.db2.gz GKGITJULYGIWQE-MRXNPFEDSA-N 1 0 386.721 4.052 20 0 GIADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)Nc3cc(Cl)ccc3OCC3CCC3)C2)C1 ZINC000455249383 822617588 /nfs/dbraw/zinc/61/75/88/822617588.db2.gz IGFZZFJAXAUMJA-HXUWFJFHSA-N 1 0 377.916 4.078 20 0 GIADRO O=C(c1csc(-c2ccc(F)c(F)c2)n1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000180111828 822617732 /nfs/dbraw/zinc/61/77/32/822617732.db2.gz ZLXUFRSMIMNSOR-HNNXBMFYSA-N 1 0 391.487 4.179 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CN[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000180113066 822617906 /nfs/dbraw/zinc/61/79/06/822617906.db2.gz VBGXMCRGWYQFCS-QHCPKHFHSA-N 1 0 380.511 4.279 20 0 GIADRO COc1ccc2oc([C@H](C)[NH2+]CC(=O)Nc3cc(OC)cc(OC)c3)c(C)c2c1 ZINC000184339083 822618329 /nfs/dbraw/zinc/61/83/29/822618329.db2.gz YRSAYJXDYAPPCK-AWEZNQCLSA-N 1 0 398.459 4.056 20 0 GIADRO CC(C)Oc1ccc([C@H](O)C[NH2+][C@H](C)c2nc3ccc(Cl)cc3n2C)cc1 ZINC000180118453 822618835 /nfs/dbraw/zinc/61/88/35/822618835.db2.gz PYEKFIJLMRULHB-JLTOFOAXSA-N 1 0 387.911 4.398 20 0 GIADRO O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000180119009 822619099 /nfs/dbraw/zinc/61/90/99/822619099.db2.gz KGJHPZIGOJDJGR-LJQANCHMSA-N 1 0 399.362 4.330 20 0 GIADRO COc1cc(C[NH2+]C[C@H](C)c2ncc(C)s2)ccc1OCc1ccncc1 ZINC000184346176 822619603 /nfs/dbraw/zinc/61/96/03/822619603.db2.gz SPOMWVKEJKYWML-HNNXBMFYSA-N 1 0 383.517 4.327 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]C[C@H](O)COCc1ccco1 ZINC000184350532 822620385 /nfs/dbraw/zinc/62/03/85/822620385.db2.gz DNBMPPRYJYSAMY-GUYCJALGSA-N 1 0 390.480 4.079 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]C[C@H](O)COCc1ccco1 ZINC000184350514 822620412 /nfs/dbraw/zinc/62/04/12/822620412.db2.gz DNBMPPRYJYSAMY-DYVFJYSZSA-N 1 0 390.480 4.079 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]CC(=O)NCc1cccs1 ZINC000184350258 822620443 /nfs/dbraw/zinc/62/04/43/822620443.db2.gz QQVXEAAQSNOWPJ-GFCCVEGCSA-N 1 0 389.521 4.286 20 0 GIADRO C[C@H](NC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)c1ccc(OC(F)F)cc1 ZINC000047936040 822620901 /nfs/dbraw/zinc/62/09/01/822620901.db2.gz ISCJZGXJDNBJJV-UGSOOPFHSA-N 1 0 395.425 4.090 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)N[C@H]1CCSc2ccc(F)cc21)c1cccc(F)c1 ZINC000047936085 822621058 /nfs/dbraw/zinc/62/10/58/822621058.db2.gz MAKXCCCFRXFLOE-ZWKOTPCHSA-N 1 0 391.487 4.104 20 0 GIADRO C[C@H]([NH2+][C@@H](Cc1ccccc1)c1ccccc1F)c1ccc(S(N)(=O)=O)cc1 ZINC000180129364 822621681 /nfs/dbraw/zinc/62/16/81/822621681.db2.gz OZXRVMNEGUJLBU-AOMKIAJQSA-N 1 0 398.503 4.108 20 0 GIADRO CCc1c(NC(=O)NC(C)(C)CCC[NH+](C)C)cnn1-c1ccccc1Cl ZINC000455268131 822622007 /nfs/dbraw/zinc/62/20/07/822622007.db2.gz RFJUOUDEVUCVTJ-UHFFFAOYSA-N 1 0 391.947 4.330 20 0 GIADRO O=C(NCCCCOc1ccccc1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000047951104 822622156 /nfs/dbraw/zinc/62/21/56/822622156.db2.gz DKYMWTAVQFRZAL-LJQANCHMSA-N 1 0 387.549 4.043 20 0 GIADRO C[C@H](N[C@H]1CCCN(c2ccccc2Cl)C1=O)c1nc2ccccc2n1C ZINC000180132906 822622582 /nfs/dbraw/zinc/62/25/82/822622582.db2.gz LSIFWDDUHLCKJW-YOEHRIQHSA-N 1 0 382.895 4.073 20 0 GIADRO CCN(CC)C(=O)c1cccc(NC(=O)C[N@H+](C)[C@H](C)c2ccc(C)cc2)c1 ZINC000047960081 822622860 /nfs/dbraw/zinc/62/28/60/822622860.db2.gz VZHWDOLZELLAKO-GOSISDBHSA-N 1 0 381.520 4.109 20 0 GIADRO Cc1c(NC(=O)NCC2CC[NH+](Cc3cccs3)CC2)cccc1N(C)C ZINC000180134433 822623194 /nfs/dbraw/zinc/62/31/94/822623194.db2.gz CMGURSYGEZTNIG-UHFFFAOYSA-N 1 0 386.565 4.156 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)N(C)Cc2ccccc2Br)o1 ZINC000047982886 822623623 /nfs/dbraw/zinc/62/36/23/822623623.db2.gz GBVHAOGYHVKWFD-UHFFFAOYSA-N 1 0 379.298 4.156 20 0 GIADRO COc1cccc([C@@H](CNC(=O)NCc2ccc(Cl)s2)[NH+]2CCCC2)c1 ZINC000047986628 822624178 /nfs/dbraw/zinc/62/41/78/822624178.db2.gz IROLFKRPGHZFCT-QGZVFWFLSA-N 1 0 393.940 4.046 20 0 GIADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(Cl)c(OC(F)F)c2)C1 ZINC000180139932 822624583 /nfs/dbraw/zinc/62/45/83/822624583.db2.gz UYVWWZUTDYTBLA-LBPRGKRZSA-N 1 0 375.847 4.041 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CC[C@H](c2c(F)cccc2F)C1 ZINC000184378497 822624790 /nfs/dbraw/zinc/62/47/90/822624790.db2.gz WKEARJCDMHSLCL-SFHVURJKSA-N 1 0 399.485 4.128 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)Nc1ccc(C(C)=O)cc1)[NH+]1CCCCC1 ZINC000048039877 822625984 /nfs/dbraw/zinc/62/59/84/822625984.db2.gz BKNZKUJOSOSDMN-OAQYLSRUSA-N 1 0 395.503 4.247 20 0 GIADRO C[C@@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=S)NCC[NH+](C)C ZINC000048040504 822626185 /nfs/dbraw/zinc/62/61/85/822626185.db2.gz NEIGVVYLTZWUKS-HNNXBMFYSA-N 1 0 396.025 4.271 20 0 GIADRO Cc1oc(-c2ccccc2)nc1C[NH+]1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000048046584 822626382 /nfs/dbraw/zinc/62/63/82/822626382.db2.gz CUBADHKDOGBDKD-KRWDZBQOSA-N 1 0 381.520 4.121 20 0 GIADRO COc1cc(C)cc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)c1C ZINC000455282525 822626416 /nfs/dbraw/zinc/62/64/16/822626416.db2.gz IHAULWDJJSHUKF-GOSISDBHSA-N 1 0 381.520 4.298 20 0 GIADRO CCCN(C(=O)[C@@H]1C[C@H]1c1cccnc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000455283851 822626803 /nfs/dbraw/zinc/62/68/03/822626803.db2.gz NPJJOXFEGUSSEI-RJGXRXQPSA-N 1 0 377.532 4.088 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)Nc1ccccc1C(F)(F)F ZINC000048051175 822627019 /nfs/dbraw/zinc/62/70/19/822627019.db2.gz RAOVELMLEFRKOC-UHFFFAOYSA-N 1 0 383.389 4.440 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1ccccc1N1CCCCC1)c1ccc(F)cc1 ZINC000048052454 822627337 /nfs/dbraw/zinc/62/73/37/822627337.db2.gz QBSBCYCJJAOIND-OAQYLSRUSA-N 1 0 384.499 4.240 20 0 GIADRO C[C@H]([NH2+][C@@H](c1ccc(F)cc1F)C(C)(C)C)c1ccc(S(N)(=O)=O)cc1 ZINC000180152930 822628087 /nfs/dbraw/zinc/62/80/87/822628087.db2.gz RFPWIILEISGLEN-SGTLLEGYSA-N 1 0 382.476 4.050 20 0 GIADRO C[C@H](Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1nc2ccccc2n1C ZINC000180156233 822628804 /nfs/dbraw/zinc/62/88/04/822628804.db2.gz MGBYJBAOYYDAIW-SFHVURJKSA-N 1 0 389.547 4.278 20 0 GIADRO Cc1c(-c2cc(C[NH+]3CCC(c4c[nH]c5ccccc54)CC3)on2)cnn1C ZINC000184406834 822629506 /nfs/dbraw/zinc/62/95/06/822629506.db2.gz OAQKSIFJSXIFMJ-UHFFFAOYSA-N 1 0 375.476 4.244 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1ccc(F)cc1Br)c1ccc(F)cc1 ZINC000048082802 822630355 /nfs/dbraw/zinc/63/03/55/822630355.db2.gz MYGFEDAEOVSDOF-MRXNPFEDSA-N 1 0 398.251 4.152 20 0 GIADRO CCc1noc(-c2ccc(CC[NH2+][C@H](C)c3nc4ccccc4n3C)cc2)n1 ZINC000180165694 822630882 /nfs/dbraw/zinc/63/08/82/822630882.db2.gz TXWRNQNVLXMMOP-OAHLLOKOSA-N 1 0 375.476 4.079 20 0 GIADRO Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000180166529 822630946 /nfs/dbraw/zinc/63/09/46/822630946.db2.gz JORCJHFYLJFGCV-LEWJYISDSA-N 1 0 394.906 4.009 20 0 GIADRO O[C@@H](c1ccc(F)cc1)C1CC[NH+](Cc2c(C3CC3)nc3sccn23)CC1 ZINC000180169275 822631423 /nfs/dbraw/zinc/63/14/23/822631423.db2.gz ZSAFCJLNEBIJDD-FQEVSTJZSA-N 1 0 385.508 4.358 20 0 GIADRO C[C@@H]1CCN(C(=O)Nc2nc(Cc3ccccc3)cs2)C[C@H]1n1ccnc1 ZINC000184423840 822632595 /nfs/dbraw/zinc/63/25/95/822632595.db2.gz OORVHHFYNMTSLX-CRAIPNDOSA-N 1 0 381.505 4.045 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1sccc1Br)Cc1ccccc1 ZINC000048114403 822634369 /nfs/dbraw/zinc/63/43/69/822634369.db2.gz GDUQWQIXBUTSRF-HNNXBMFYSA-N 1 0 395.366 4.194 20 0 GIADRO CC[NH+]1CCN(CC(C)(C)NC(=O)Nc2cc(-c3ccc(C)o3)ccc2C)CC1 ZINC000455327278 822634922 /nfs/dbraw/zinc/63/49/22/822634922.db2.gz PUVYILXEKLNNPT-UHFFFAOYSA-N 1 0 398.551 4.101 20 0 GIADRO COc1cc(NC(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)ccc1C(F)(F)F ZINC000455331007 822635655 /nfs/dbraw/zinc/63/56/55/822635655.db2.gz PONHVFBOHIGEFS-CYBMUJFWSA-N 1 0 385.430 4.052 20 0 GIADRO Cc1cc(OC(C)C)ccc1NC(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000048122763 822635733 /nfs/dbraw/zinc/63/57/33/822635733.db2.gz WQPHRQHPKGEEBA-UHFFFAOYSA-N 1 0 385.508 4.044 20 0 GIADRO CN(Cc1ccccc1NC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2)c1ccccc1 ZINC000455334326 822636143 /nfs/dbraw/zinc/63/61/43/822636143.db2.gz ZVABCOLBLWWOCZ-XMMPIXPASA-N 1 0 392.547 4.273 20 0 GIADRO O=C(NCc1ccc(C(F)F)cc1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000184447566 822636767 /nfs/dbraw/zinc/63/67/67/822636767.db2.gz QPQVNEHUWBZXHR-UHFFFAOYSA-N 1 0 379.495 4.422 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1)c1nc2ccc(Cl)cc2n1C ZINC000180204651 822638977 /nfs/dbraw/zinc/63/89/77/822638977.db2.gz DFRNFSLYTBOVMS-KBPBESRZSA-N 1 0 380.883 4.219 20 0 GIADRO CC[NH+](CC)C[C@H]1CCN(Cc2ccc(Br)c3cccnc23)C1 ZINC000180207408 822639613 /nfs/dbraw/zinc/63/96/13/822639613.db2.gz MCRNFQNOQMFDBB-OAHLLOKOSA-N 1 0 376.342 4.161 20 0 GIADRO O=C(C[C@H](c1ccccc1)C(F)(F)F)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180216562 822641180 /nfs/dbraw/zinc/64/11/80/822641180.db2.gz OMCZTJQCSUVTBM-LJQANCHMSA-N 1 0 391.437 4.150 20 0 GIADRO COc1cccc([C@@H](O)C[N@H+](Cc2cnn(C(C)C)c2)Cc2ccccc2)c1 ZINC000180219770 822641655 /nfs/dbraw/zinc/64/16/55/822641655.db2.gz XWFHGQZSBYDJIT-QHCPKHFHSA-N 1 0 379.504 4.208 20 0 GIADRO C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000180225479 822643292 /nfs/dbraw/zinc/64/32/92/822643292.db2.gz CQKZHLLQIIHHBJ-KBPBESRZSA-N 1 0 385.451 4.391 20 0 GIADRO COc1ccc(S[C@H](C)C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000048185657 822643315 /nfs/dbraw/zinc/64/33/15/822643315.db2.gz MDSULTBOUPMMHJ-CRAIPNDOSA-N 1 0 390.574 4.191 20 0 GIADRO O=C(CSCc1ccc(Cl)cc1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180228113 822643760 /nfs/dbraw/zinc/64/37/60/822643760.db2.gz IXVOESJHUIQBCM-UHFFFAOYSA-N 1 0 389.952 4.001 20 0 GIADRO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1csc(-c2ccccn2)n1 ZINC000180230425 822644466 /nfs/dbraw/zinc/64/44/66/822644466.db2.gz BLZOZNPJESJPOG-UHFFFAOYSA-N 1 0 378.501 4.096 20 0 GIADRO CN(C(=O)Nc1cc(Cl)cc(F)c1F)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000455391388 822645436 /nfs/dbraw/zinc/64/54/36/822645436.db2.gz ULXPXOILFPHPER-UHFFFAOYSA-N 1 0 399.791 4.499 20 0 GIADRO C[N@H+](CCCCNC(=O)Nc1cc(F)c(Br)cc1Cl)C1CC1 ZINC000455393316 822645795 /nfs/dbraw/zinc/64/57/95/822645795.db2.gz WIAOVWIZZPKXMH-UHFFFAOYSA-N 1 0 392.700 4.238 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NCC1(c2ccccc2)CC1 ZINC000180244701 822647291 /nfs/dbraw/zinc/64/72/91/822647291.db2.gz QJQYRVWUTLWCPQ-UHFFFAOYSA-N 1 0 392.547 4.061 20 0 GIADRO C[C@@H](NCC[C@H](C)[NH+]1CCCCC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000184509383 822647712 /nfs/dbraw/zinc/64/77/12/822647712.db2.gz QODXZUBUPUWBPQ-RBUKOAKNSA-N 1 0 392.609 4.318 20 0 GIADRO C[C@@H](CCN[C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1)[NH+]1CCCCC1 ZINC000184509341 822647783 /nfs/dbraw/zinc/64/77/83/822647783.db2.gz QODXZUBUPUWBPQ-OALUTQOASA-N 1 0 392.609 4.318 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc3c(c2)N(C)CC3)CC[N@@H+]1Cc1ccccc1 ZINC000180251470 822648367 /nfs/dbraw/zinc/64/83/67/822648367.db2.gz VZOLHJCXKMJFNA-AVRDEDQJSA-N 1 0 392.547 4.196 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)C[NH2+][C@@H](c2ccc(Cl)cc2F)C(C)C)c1 ZINC000180255332 822649210 /nfs/dbraw/zinc/64/92/10/822649210.db2.gz GOHPGUMXJSTUES-HXUWFJFHSA-N 1 0 391.874 4.363 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Nc1cc(NC(C)=O)ccc1C)c1ccsc1 ZINC000048270714 822650312 /nfs/dbraw/zinc/65/03/12/822650312.db2.gz BSAJIXYVYWJLMJ-LJQANCHMSA-N 1 0 388.537 4.220 20 0 GIADRO COc1ccccc1COC[C@@H](O)C[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000184524261 822650613 /nfs/dbraw/zinc/65/06/13/822650613.db2.gz FKYJRKYIBXMHJY-LPHOPBHVSA-N 1 0 398.528 4.047 20 0 GIADRO Cc1nc(-c2cc3c(s2)CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C3)cs1 ZINC000180263862 822650802 /nfs/dbraw/zinc/65/08/02/822650802.db2.gz HUCGAUONMVFOSK-UHFFFAOYSA-N 1 0 397.569 4.440 20 0 GIADRO O=C(NC[C@@H]1CCCC1(F)F)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000455426023 822651465 /nfs/dbraw/zinc/65/14/65/822651465.db2.gz ZDDZPUGYDJRFHX-HSALFYBXSA-N 1 0 391.506 4.118 20 0 GIADRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)CCc2ccc3[nH]ccc3c2)CC1 ZINC000180269715 822651812 /nfs/dbraw/zinc/65/18/12/822651812.db2.gz ACNNEYKUPYUZBH-UHFFFAOYSA-N 1 0 389.543 4.471 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CSCc2ccccn2)cc1 ZINC000048323257 822653617 /nfs/dbraw/zinc/65/36/17/822653617.db2.gz UHMPSMCWQBFISA-GOSISDBHSA-N 1 0 383.561 4.006 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]CCCS(=O)(=O)C(C)C ZINC000184545140 822654590 /nfs/dbraw/zinc/65/45/90/822654590.db2.gz SBILUPRLEBRKLR-OAHLLOKOSA-N 1 0 380.579 4.291 20 0 GIADRO CCC(=O)Nc1cccc(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000048342083 822654624 /nfs/dbraw/zinc/65/46/24/822654624.db2.gz KGOACEMARCEQKB-UHFFFAOYSA-N 1 0 399.922 4.083 20 0 GIADRO Cc1nc(NC(=O)N2CCC[C@@H]([NH+](C)C)CC2)sc1Cc1ccc(F)cc1 ZINC000455448644 822656204 /nfs/dbraw/zinc/65/62/04/822656204.db2.gz OWGZEFUQJWCGBU-QGZVFWFLSA-N 1 0 390.528 4.129 20 0 GIADRO CCN(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000455449676 822656477 /nfs/dbraw/zinc/65/64/77/822656477.db2.gz USAFOHDPDBJONZ-TZUVLKIQSA-N 1 0 383.458 4.423 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(C)c(NC(C)=O)c1)c1ccsc1 ZINC000048362186 822656516 /nfs/dbraw/zinc/65/65/16/822656516.db2.gz NVGRINBMIZXYMD-LJQANCHMSA-N 1 0 388.537 4.220 20 0 GIADRO Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000455450682 822656557 /nfs/dbraw/zinc/65/65/57/822656557.db2.gz XDABHHHPTBJZSB-RAFMOHDBSA-N 1 0 383.561 4.265 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(NC(=O)NC(C)C)cc1)c1ccccc1 ZINC000048381741 822657928 /nfs/dbraw/zinc/65/79/28/822657928.db2.gz LCAWYVHWDXJCHG-OAQYLSRUSA-N 1 0 396.535 4.029 20 0 GIADRO Cc1[nH]c2ccc(Cl)cc2c1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180295591 822658166 /nfs/dbraw/zinc/65/81/66/822658166.db2.gz NQAAVEFQPSWGNI-UHFFFAOYSA-N 1 0 382.895 4.171 20 0 GIADRO C[C@H]([NH2+]Cc1ccn(-c2ccccc2)n1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000180296845 822658522 /nfs/dbraw/zinc/65/85/22/822658522.db2.gz VUBNKXYDOLZDCI-CYFREDJKSA-N 1 0 391.515 4.287 20 0 GIADRO CCC(=O)Nc1ccc(NC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000048389753 822658711 /nfs/dbraw/zinc/65/87/11/822658711.db2.gz KQGNMIGYPHHOFS-UHFFFAOYSA-N 1 0 386.540 4.155 20 0 GIADRO Cc1ccnn1-c1ccccc1NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000184568624 822658808 /nfs/dbraw/zinc/65/88/08/822658808.db2.gz WLWNQCBIGKASFM-FQEVSTJZSA-N 1 0 395.551 4.301 20 0 GIADRO CCOc1ccc([C@@H](NC(=O)NC2CC[NH+](C3CC3)CC2)c2ccccc2)cc1 ZINC000048395505 822659258 /nfs/dbraw/zinc/65/92/58/822659258.db2.gz LFMBOJKZKLQFEP-QHCPKHFHSA-N 1 0 393.531 4.101 20 0 GIADRO C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000455471391 822661046 /nfs/dbraw/zinc/66/10/46/822661046.db2.gz IHMVGMXNXZPMMI-JZIBPQBNSA-N 1 0 382.335 4.247 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@H]1CCc2cc(F)ccc21 ZINC000180309073 822661344 /nfs/dbraw/zinc/66/13/44/822661344.db2.gz TVMITUBOBUAEHT-QFIPXVFZSA-N 1 0 396.510 4.156 20 0 GIADRO CN(Cc1cc(F)c(F)c(F)c1)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000180310594 822661536 /nfs/dbraw/zinc/66/15/36/822661536.db2.gz SQRPFFBEPPONOF-LJQANCHMSA-N 1 0 391.437 4.082 20 0 GIADRO Cn1cc(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)c(-c2cccs2)n1 ZINC000180313705 822661876 /nfs/dbraw/zinc/66/18/76/822661876.db2.gz CEHLYGGZIVVLEZ-UHFFFAOYSA-N 1 0 380.517 4.039 20 0 GIADRO CCN(C(=O)NCc1nc2ccccc2s1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000184597467 822663500 /nfs/dbraw/zinc/66/35/00/822663500.db2.gz LLSISLBFPWKDFH-SFHVURJKSA-N 1 0 394.544 4.102 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)N1CCC[C@H]1Cc1ccccc1Cl ZINC000455498845 822666369 /nfs/dbraw/zinc/66/63/69/822666369.db2.gz AXKWCTRVINOKMN-IBGZPJMESA-N 1 0 375.944 4.073 20 0 GIADRO COc1ccc([C@H]([NH2+]Cc2cccc(CS(C)(=O)=O)c2)c2ccccc2)cc1 ZINC000180353222 822668810 /nfs/dbraw/zinc/66/88/10/822668810.db2.gz FFOXDOVDMUHLPT-HSZRJFAPSA-N 1 0 395.524 4.119 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)Nc3cccc(OCC#N)c3)cc2)C1 ZINC000048509215 822668827 /nfs/dbraw/zinc/66/88/27/822668827.db2.gz PRFTVKOJQQDAJF-SFHVURJKSA-N 1 0 392.503 4.143 20 0 GIADRO C[C@@H](C#N)Oc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000180357125 822669672 /nfs/dbraw/zinc/66/96/72/822669672.db2.gz KAGHMHGWIZDDRO-OALUTQOASA-N 1 0 391.515 4.259 20 0 GIADRO CCOc1cccc2cc([C@@H](C)[NH2+]CC(=O)N(C)Cc3ccc(OC)cc3)oc21 ZINC000180359231 822670074 /nfs/dbraw/zinc/67/00/74/822670074.db2.gz QQHLMGMFARBRAG-MRXNPFEDSA-N 1 0 396.487 4.149 20 0 GIADRO CCOc1cccc2cc([C@@H](C)[NH2+]CC(=O)N(C)Cc3cccc(OC)c3)oc21 ZINC000180359446 822670077 /nfs/dbraw/zinc/67/00/77/822670077.db2.gz CMOPDFSDDLRYBQ-MRXNPFEDSA-N 1 0 396.487 4.149 20 0 GIADRO COc1ccc(NC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)c(C(F)(F)F)c1 ZINC000048549735 822671364 /nfs/dbraw/zinc/67/13/64/822671364.db2.gz OTBBJECYEIIVRZ-KRWDZBQOSA-N 1 0 399.388 4.278 20 0 GIADRO COc1ccc([C@H](C[NH2+][C@@H]2CCSc3c(F)cccc32)N(C)C)cc1OC ZINC000180378689 822672517 /nfs/dbraw/zinc/67/25/17/822672517.db2.gz ZDPDUASHOLGGMC-MSOLQXFVSA-N 1 0 390.524 4.272 20 0 GIADRO COc1cccc([C@H]2[C@@H]([NH2+]CC3=Cc4ccccc4OC3)CCN2C2CC2)c1 ZINC000180380216 822672846 /nfs/dbraw/zinc/67/28/46/822672846.db2.gz QQHOVRGRVHYXFI-UPVQGACJSA-N 1 0 376.500 4.039 20 0 GIADRO CC(C)Oc1ccc(CNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000048568759 822673160 /nfs/dbraw/zinc/67/31/60/822673160.db2.gz HHQVOFPWDNZWBB-UHFFFAOYSA-N 1 0 381.520 4.069 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)Nc1cc(F)cc(F)c1F ZINC000455549519 822673760 /nfs/dbraw/zinc/67/37/60/822673760.db2.gz NFFKEOAMGFJATN-UHFFFAOYSA-N 1 0 392.425 4.269 20 0 GIADRO Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000455561515 822674765 /nfs/dbraw/zinc/67/47/65/822674765.db2.gz MVXCFUIGISKJNB-SFHVURJKSA-N 1 0 383.458 4.305 20 0 GIADRO C[C@H]1C[C@H](NC(=O)Nc2cc(F)cc(F)c2F)CC[N@@H+]1Cc1ccccc1 ZINC000455568610 822675924 /nfs/dbraw/zinc/67/59/24/822675924.db2.gz RNRZKXWJPHYKNL-XJKSGUPXSA-N 1 0 377.410 4.279 20 0 GIADRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)Nc1cc(F)cc(F)c1F ZINC000455570900 822676303 /nfs/dbraw/zinc/67/63/03/822676303.db2.gz XKJLIJISYIYACH-GFCCVEGCSA-N 1 0 383.439 4.199 20 0 GIADRO CC[C@@H]([NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1)c1ccc2c(c1)OCCO2 ZINC000180409236 822676858 /nfs/dbraw/zinc/67/68/58/822676858.db2.gz ZNDSXIWMMOZPRG-OAQYLSRUSA-N 1 0 394.515 4.325 20 0 GIADRO COc1ccc(CC[NH2+][C@H]2CCc3[nH]c4ccc(C)cc4c3C2)c(OC)c1OC ZINC000180416002 822677889 /nfs/dbraw/zinc/67/78/89/822677889.db2.gz VKOAASMODDRGHR-KRWDZBQOSA-N 1 0 394.515 4.192 20 0 GIADRO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]CCCN1CCCCCC1=O ZINC000048682439 822678208 /nfs/dbraw/zinc/67/82/08/822678208.db2.gz TWJLHQYKJHZMRU-UHFFFAOYSA-N 1 0 388.943 4.025 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3cc4ccccc4cc3O)cc2)CC1 ZINC000180419761 822678517 /nfs/dbraw/zinc/67/85/17/822678517.db2.gz DNAMSEKDOGTLCI-UHFFFAOYSA-N 1 0 389.499 4.328 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)C(C)(C)Cc3ccccc3)cc2)CC1 ZINC000180421081 822678593 /nfs/dbraw/zinc/67/85/93/822678593.db2.gz GKLWOLOCXXRZEY-UHFFFAOYSA-N 1 0 379.548 4.424 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1csc(-c2ccoc2)n1 ZINC000180420939 822678619 /nfs/dbraw/zinc/67/86/19/822678619.db2.gz DWHNNKUTEQFXNM-UHFFFAOYSA-N 1 0 396.516 4.177 20 0 GIADRO CC(C)c1nn(-c2ccccc2)cc1C[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000048710948 822679152 /nfs/dbraw/zinc/67/91/52/822679152.db2.gz DLGYNMFYVNTZEW-UHFFFAOYSA-N 1 0 375.520 4.281 20 0 GIADRO COCCOc1ccc(C[NH2+]Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)cc1 ZINC000048712110 822679361 /nfs/dbraw/zinc/67/93/61/822679361.db2.gz MTNUUFOLHKCPAJ-UHFFFAOYSA-N 1 0 399.922 4.458 20 0 GIADRO COc1cc(Cl)cc(C[NH2+]CCCc2nc(-c3ccncc3)cs2)c1O ZINC000184707856 822679917 /nfs/dbraw/zinc/67/99/17/822679917.db2.gz SIKYYHBZDLGEGG-UHFFFAOYSA-N 1 0 389.908 4.295 20 0 GIADRO Cc1ccc2cccc(C(=O)N(C)CCC3CCN(c4cc[nH+]cc4)CC3)c2n1 ZINC000180433345 822680935 /nfs/dbraw/zinc/68/09/35/822680935.db2.gz QZGBCXKLFUUGNJ-UHFFFAOYSA-N 1 0 388.515 4.317 20 0 GIADRO CCNC(=O)COc1ccc(C[NH2+][C@@H](C)c2oc3ccccc3c2C)cc1OC ZINC000048747271 822680990 /nfs/dbraw/zinc/68/09/90/822680990.db2.gz WPULBGGGRSANEC-INIZCTEOSA-N 1 0 396.487 4.116 20 0 GIADRO C[C@@H](CNCc1cccc(NC(=O)c2ccccc2Cl)c1)C[NH+]1CCCC1 ZINC000048749224 822681125 /nfs/dbraw/zinc/68/11/25/822681125.db2.gz QKHSPIKNIIGOSV-KRWDZBQOSA-N 1 0 385.939 4.414 20 0 GIADRO COc1cc2c(cc1C[NH2+]Cc1ccc(OCc3ccccn3)cc1)O[C@@H](C)C2 ZINC000048751734 822681396 /nfs/dbraw/zinc/68/13/96/822681396.db2.gz YIESCQKQXUGFQN-KRWDZBQOSA-N 1 0 390.483 4.282 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1Cl)c1ccc(-n2cccn2)cc1 ZINC000180436844 822681702 /nfs/dbraw/zinc/68/17/02/822681702.db2.gz DUFOVMBETHVMFO-CYBMUJFWSA-N 1 0 389.286 4.468 20 0 GIADRO Cc1nc2ccccc2cc1C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180438444 822682105 /nfs/dbraw/zinc/68/21/05/822682105.db2.gz SCFTXMMTYLEQCY-UHFFFAOYSA-N 1 0 388.515 4.317 20 0 GIADRO Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+]CCc2cnn(C)c2)cc1 ZINC000048784612 822683092 /nfs/dbraw/zinc/68/30/92/822683092.db2.gz WEUWVHOFJCTCNV-UHFFFAOYSA-N 1 0 389.478 4.053 20 0 GIADRO CC(=O)Nc1cccc(OCC[NH2+][C@@H](C)c2ccc(Br)s2)c1 ZINC000180447218 822683803 /nfs/dbraw/zinc/68/38/03/822683803.db2.gz QJOIOIOSBIKCTB-NSHDSACASA-N 1 0 383.311 4.199 20 0 GIADRO CC(=O)Nc1cccc(OCC[NH2+][C@H](C)[C@@H](C)c2nc3ccccc3s2)c1 ZINC000180448367 822684018 /nfs/dbraw/zinc/68/40/18/822684018.db2.gz OITQHEFHQSWGSA-HUUCEWRRSA-N 1 0 383.517 4.415 20 0 GIADRO Brc1cccc(C[NH2+]Cc2cc3c(c(Br)c2)OCO3)c1 ZINC000048817949 822684436 /nfs/dbraw/zinc/68/44/36/822684436.db2.gz NTXDHHZJXVYXCL-UHFFFAOYSA-N 1 0 399.082 4.230 20 0 GIADRO O=C(N[C@@H](c1ccccc1)C(F)F)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000455615214 822684658 /nfs/dbraw/zinc/68/46/58/822684658.db2.gz FXGFIFFFYYWHHS-REWPJTCUSA-N 1 0 399.485 4.300 20 0 GIADRO COc1cccc(-c2n[nH]cc2C[NH2+]CCCC(=O)Nc2ccc(Cl)cc2)c1 ZINC000048824989 822684727 /nfs/dbraw/zinc/68/47/27/822684727.db2.gz PWDIYXHNZBBHDP-UHFFFAOYSA-N 1 0 398.894 4.247 20 0 GIADRO C[C@@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000455616057 822684821 /nfs/dbraw/zinc/68/48/21/822684821.db2.gz OVQSEKIIDZRDFQ-HNNXBMFYSA-N 1 0 385.474 4.152 20 0 GIADRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c1O ZINC000184744545 822685175 /nfs/dbraw/zinc/68/51/75/822685175.db2.gz QQDKEJHDSQAKKL-CYBMUJFWSA-N 1 0 389.805 4.107 20 0 GIADRO O=C(Nc1cccc(C2CC2)n1)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000455621144 822685536 /nfs/dbraw/zinc/68/55/36/822685536.db2.gz PTPJFZVKCLSWIP-UHFFFAOYSA-N 1 0 390.531 4.479 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H](c1ccccc1)C(F)F ZINC000455641012 822689288 /nfs/dbraw/zinc/68/92/88/822689288.db2.gz HFBHPVHBKKFWBO-LSTHTHJFSA-N 1 0 387.474 4.203 20 0 GIADRO Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000180503364 822692132 /nfs/dbraw/zinc/69/21/32/822692132.db2.gz ICUNAJDJVORMML-UGKGYDQZSA-N 1 0 394.563 4.033 20 0 GIADRO O=C(c1ccccc1COc1ccccc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000049073746 822692227 /nfs/dbraw/zinc/69/22/27/822692227.db2.gz GJFSFGIPPQKDND-UHFFFAOYSA-N 1 0 378.516 4.214 20 0 GIADRO COCc1cc([C@H](C)[NH2+]Cc2cc(Br)ccc2OC)ccc1OC ZINC000180504353 822692337 /nfs/dbraw/zinc/69/23/37/822692337.db2.gz ZYEIDGDMSKFRQX-ZDUSSCGKSA-N 1 0 394.309 4.464 20 0 GIADRO CC[NH+](CC)CC1CCN(C(=O)c2csc(-c3ccc(OC)cc3)n2)CC1 ZINC000049076498 822692465 /nfs/dbraw/zinc/69/24/65/822692465.db2.gz IRABSQAOHJWTME-UHFFFAOYSA-N 1 0 387.549 4.013 20 0 GIADRO CC[C@H](C)C(=O)Nc1cccc(CNC(=O)c2ccc(C[NH+](CC)CC)o2)c1 ZINC000049117162 822693242 /nfs/dbraw/zinc/69/32/42/822693242.db2.gz ZMCLSTIBZGYLND-INIZCTEOSA-N 1 0 385.508 4.036 20 0 GIADRO Cn1cc([C@H]([NH2+]C[C@@H](O)c2ccc3ccccc3c2)c2cccc(F)c2)cn1 ZINC000180508975 822693565 /nfs/dbraw/zinc/69/35/65/822693565.db2.gz NEJDIAMSPMXVIF-DHIUTWEWSA-N 1 0 375.447 4.125 20 0 GIADRO CSc1ccc([C@H](CNC(=O)Nc2ccc([C@H]3CCOC3)cc2)[NH+](C)C)cc1 ZINC000455661003 822693879 /nfs/dbraw/zinc/69/38/79/822693879.db2.gz IUUFKEMFEHOOQM-RXVVDRJESA-N 1 0 399.560 4.337 20 0 GIADRO CSc1ccc([C@@H](CNC(=O)Nc2ccc([C@@H]3CCOC3)cc2)[NH+](C)C)cc1 ZINC000455661004 822693929 /nfs/dbraw/zinc/69/39/29/822693929.db2.gz IUUFKEMFEHOOQM-WIYYLYMNSA-N 1 0 399.560 4.337 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc([C@H]2CCOC2)cc1)c1ccsc1 ZINC000455661225 822694083 /nfs/dbraw/zinc/69/40/83/822694083.db2.gz JFCXFHSMBFYWPQ-PXNSSMCTSA-N 1 0 387.549 4.457 20 0 GIADRO CC(C)Oc1cccc([C@H](C)NC(=O)NC[C@H](c2ccsc2)[NH+](C)C)c1 ZINC000049194967 822694774 /nfs/dbraw/zinc/69/47/74/822694774.db2.gz BCWNOOSDODFBIF-HNAYVOBHSA-N 1 0 375.538 4.198 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)C1CCC(F)(F)CC1)c1cccc(C(F)(F)F)c1 ZINC000184829946 822696721 /nfs/dbraw/zinc/69/67/21/822696721.db2.gz KTNJCTZFEUKXGX-HNNXBMFYSA-N 1 0 378.385 4.250 20 0 GIADRO CCCN(C(=O)Nc1ccnn1CC[NH+](C)C)[C@H](C)c1cc2ccccc2o1 ZINC000455673942 822697239 /nfs/dbraw/zinc/69/72/39/822697239.db2.gz YMFUTHIMXOHVCD-MRXNPFEDSA-N 1 0 383.496 4.196 20 0 GIADRO CN(C(=O)Nc1ccc([C@@H]2CCOC2)cc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000455678058 822698494 /nfs/dbraw/zinc/69/84/94/822698494.db2.gz WPFJERMUIUQWCT-GGAORHGYSA-N 1 0 393.531 4.319 20 0 GIADRO O=C(Nc1ccc([C@@H]2CCOC2)cc1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000455679560 822698934 /nfs/dbraw/zinc/69/89/34/822698934.db2.gz ZZKMBXQKENMYPA-PZJWPPBQSA-N 1 0 385.552 4.310 20 0 GIADRO C[C@@H]([NH2+]C[C@H](c1ccco1)N1CCCC1)c1cc(Br)ccc1O ZINC000184844912 822699403 /nfs/dbraw/zinc/69/94/03/822699403.db2.gz SETIRHXDWWEBTL-CZUORRHYSA-N 1 0 379.298 4.235 20 0 GIADRO CSc1cccc(N(C(=O)/C=C/c2ncccc2C)C2CC[NH+](C)CC2)c1 ZINC000184846375 822699599 /nfs/dbraw/zinc/69/95/99/822699599.db2.gz IDVQSDBDIGDMMJ-MDZDMXLPSA-N 1 0 381.545 4.253 20 0 GIADRO Cc1csc([C@@H](NC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)C(F)(F)F)n1 ZINC000455682437 822699906 /nfs/dbraw/zinc/69/99/06/822699906.db2.gz CJMLKJBPKRTHNZ-UONOGXRCSA-N 1 0 392.491 4.009 20 0 GIADRO CC(=O)N(c1ccc(NC(=O)N(C)CC[NH+](C(C)C)C(C)C)cc1)[C@@H]1C[C@H]1C ZINC000455697628 822705396 /nfs/dbraw/zinc/70/53/96/822705396.db2.gz JMADQEHUDXVLJC-DYESRHJHSA-N 1 0 388.556 4.030 20 0 GIADRO C[C@@H](NC(=O)c1ccc(Br)cc1C(F)(F)F)C(C)(C)C[NH+](C)C ZINC000180592159 822707355 /nfs/dbraw/zinc/70/73/55/822707355.db2.gz MPHKHYLTBOEEIC-SNVBAGLBSA-N 1 0 395.263 4.174 20 0 GIADRO C[N@@H+]1CCCC[C@H]1CCSc1nnc(-c2ccncc2)n1Cc1ccccc1 ZINC000049775693 822708884 /nfs/dbraw/zinc/70/88/84/822708884.db2.gz FYNTUCDYSALMMP-FQEVSTJZSA-N 1 0 393.560 4.355 20 0 GIADRO CC(C)(CNC(=O)N(Cc1ccco1)Cc1cccs1)[NH+]1CCCCC1 ZINC000049786478 822709271 /nfs/dbraw/zinc/70/92/71/822709271.db2.gz WYIODJMPHBYZOH-UHFFFAOYSA-N 1 0 375.538 4.317 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)Cc1ccccc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000180602915 822709718 /nfs/dbraw/zinc/70/97/18/822709718.db2.gz YJCXQDMEKHXZNF-SBUREZEXSA-N 1 0 392.474 4.332 20 0 GIADRO CCN(Cc1ccncc1)C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000049790457 822709691 /nfs/dbraw/zinc/70/96/91/822709691.db2.gz ZNQHKARKIGTULH-LJQANCHMSA-N 1 0 386.565 4.148 20 0 GIADRO CC(C)c1nccn1Cc1cccc(NC(=O)NCCC[NH+]2CCCCCC2)c1 ZINC000049799435 822710201 /nfs/dbraw/zinc/71/02/01/822710201.db2.gz DPBIGGIPVYAYBZ-UHFFFAOYSA-N 1 0 397.567 4.442 20 0 GIADRO CCN(C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C)[C@H](C)c1cccc(OC)c1 ZINC000049798799 822710245 /nfs/dbraw/zinc/71/02/45/822710245.db2.gz QFQQDBRPPBINQP-VGSWGCGISA-N 1 0 399.535 4.099 20 0 GIADRO CCN(C(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C)[C@H](C)c1cccc(OC)c1 ZINC000049798801 822710295 /nfs/dbraw/zinc/71/02/95/822710295.db2.gz QFQQDBRPPBINQP-VGOFRKELSA-N 1 0 399.535 4.099 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(N2CCCC2=O)cc1)c1ccc(Br)cc1O ZINC000184905265 822710876 /nfs/dbraw/zinc/71/08/76/822710876.db2.gz NJHDUULKWQVOII-ZDUSSCGKSA-N 1 0 389.293 4.132 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)N3C[C@H](c4ccccc4)C[C@@H]3C)c2)CC1 ZINC000184906870 822711045 /nfs/dbraw/zinc/71/10/45/822711045.db2.gz OIZGHKPJWCNWBX-PZJWPPBQSA-N 1 0 392.547 4.238 20 0 GIADRO C[C@H]([NH2+]Cc1ccccc1Cn1cccn1)c1cc(Br)ccc1O ZINC000184911044 822711963 /nfs/dbraw/zinc/71/19/63/822711963.db2.gz IDYHYLDGCLEXDN-AWEZNQCLSA-N 1 0 386.293 4.250 20 0 GIADRO CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](CCCO)c1ccccc1 ZINC000180613051 822712499 /nfs/dbraw/zinc/71/24/99/822712499.db2.gz CRBAIAZBJGURQR-UFYCRDLUSA-N 1 0 376.541 4.173 20 0 GIADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Nc1cncc(Cl)c1C ZINC000455720498 822713200 /nfs/dbraw/zinc/71/32/00/822713200.db2.gz WTFVPXIAQPVZEB-UHFFFAOYSA-N 1 0 380.842 4.172 20 0 GIADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)CCc1ccc2[nH]ccc2c1 ZINC000180616580 822713278 /nfs/dbraw/zinc/71/32/78/822713278.db2.gz SQJDYLZHMFQWNI-JOCHJYFZSA-N 1 0 390.531 4.009 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)c1cccc2ccccc21 ZINC000184920641 822713324 /nfs/dbraw/zinc/71/33/24/822713324.db2.gz IYPCEKXWTGENIS-KRWDZBQOSA-N 1 0 380.513 4.231 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)N(CCC(F)(F)F)CC3CC3)c2)CC1 ZINC000184921623 822713623 /nfs/dbraw/zinc/71/36/23/822713623.db2.gz IACVRQNXIFAEFI-UHFFFAOYSA-N 1 0 398.473 4.025 20 0 GIADRO Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c(C2CC2)n1 ZINC000455722119 822713671 /nfs/dbraw/zinc/71/36/71/822713671.db2.gz XKLSAXRPCFJQMQ-RXVVDRJESA-N 1 0 377.532 4.393 20 0 GIADRO C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000184925096 822713947 /nfs/dbraw/zinc/71/39/47/822713947.db2.gz XKUAIZLKYSTDEC-VQIMIIECSA-N 1 0 376.928 4.026 20 0 GIADRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)Nc2nc(CC(F)(F)F)cs2)C1 ZINC000455727216 822715025 /nfs/dbraw/zinc/71/50/25/822715025.db2.gz POHQNWDEHXBKJN-STQMWFEESA-N 1 0 392.491 4.128 20 0 GIADRO CCC(=O)Nc1ccc(C)c(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000050032314 822715243 /nfs/dbraw/zinc/71/52/43/822715243.db2.gz UASYXSPAEZMGSB-LJQANCHMSA-N 1 0 379.504 4.194 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000184936319 822715566 /nfs/dbraw/zinc/71/55/66/822715566.db2.gz YUVGDWJEHCVLAR-MSOLQXFVSA-N 1 0 390.449 4.318 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000184936301 822715635 /nfs/dbraw/zinc/71/56/35/822715635.db2.gz YUVGDWJEHCVLAR-QZTJIDSGSA-N 1 0 390.449 4.318 20 0 GIADRO C[N@H+](Cc1ccccn1)[C@H]1CCCN(C(=O)Nc2ccc3c(c2)CCCC3)CC1 ZINC000455733870 822716577 /nfs/dbraw/zinc/71/65/77/822716577.db2.gz PAHHOECAIUYOIF-QHCPKHFHSA-N 1 0 392.547 4.479 20 0 GIADRO CCCn1ncc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1C1CC1 ZINC000455750917 822719552 /nfs/dbraw/zinc/71/95/52/822719552.db2.gz JXUFYHYWSPJHQO-PXNSSMCTSA-N 1 0 395.551 4.345 20 0 GIADRO CCOc1ccc(Cl)c(NC(=O)N[C@@H](C[NH+](C)C)c2ccc(OC)cc2)c1 ZINC000455753061 822719886 /nfs/dbraw/zinc/71/98/86/822719886.db2.gz JLUVJQJTUDSKLV-IBGZPJMESA-N 1 0 391.899 4.172 20 0 GIADRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)N(Cc1cccs1)C1CC1 ZINC000050137778 822720060 /nfs/dbraw/zinc/72/00/60/822720060.db2.gz VDJPUAGPRLITSJ-MRXNPFEDSA-N 1 0 389.590 4.396 20 0 GIADRO O[C@@H](C[NH+]1CCC(OCCc2ccccc2)CC1)c1ccc(F)cc1Cl ZINC000184976704 822720742 /nfs/dbraw/zinc/72/07/42/822720742.db2.gz CYGKOEBCVRYMAZ-NRFANRHFSA-N 1 0 377.887 4.236 20 0 GIADRO CCOC1CCN(C(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)CC1 ZINC000050168776 822720912 /nfs/dbraw/zinc/72/09/12/822720912.db2.gz FELSUFGCNHGTBQ-UHFFFAOYSA-N 1 0 387.568 4.162 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1scnc1C1CCCC1 ZINC000185007753 822724703 /nfs/dbraw/zinc/72/47/03/822724703.db2.gz TZMTWLYYDSIASE-GOSISDBHSA-N 1 0 383.561 4.395 20 0 GIADRO O=c1ccccn1Cc1ccc(C[NH2+]Cc2sccc2Br)cc1 ZINC000185023364 822726523 /nfs/dbraw/zinc/72/65/23/822726523.db2.gz KULOWILDLPOYMY-UHFFFAOYSA-N 1 0 389.318 4.010 20 0 GIADRO CC(C)Oc1cccc(NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000455789764 822727109 /nfs/dbraw/zinc/72/71/09/822727109.db2.gz YLVZZGCVJBXWIP-BGYRXZFFSA-N 1 0 379.504 4.070 20 0 GIADRO Cn1cc(-c2cc(C[NH2+][C@H](Cc3cccc(F)c3)c3cccc(F)c3)on2)cn1 ZINC000185052465 822729754 /nfs/dbraw/zinc/72/97/54/822729754.db2.gz BYCKAFPPLHQMRA-OAQYLSRUSA-N 1 0 394.425 4.427 20 0 GIADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccccc2C(C)(F)F)[C@@H](C)C1 ZINC000455809436 822730270 /nfs/dbraw/zinc/73/02/70/822730270.db2.gz OHAQVDJKAGFNRQ-DOTOQJQBSA-N 1 0 383.483 4.057 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]Cc1cc(-c2cnn(C)c2)no1 ZINC000185062237 822731193 /nfs/dbraw/zinc/73/11/93/822731193.db2.gz JDVRDDYDVIXREM-CYBMUJFWSA-N 1 0 379.489 4.358 20 0 GIADRO CC(C)C(=O)c1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)cc1 ZINC000455815445 822731385 /nfs/dbraw/zinc/73/13/85/822731385.db2.gz JHOCKXABQJABRU-UHFFFAOYSA-N 1 0 385.483 4.260 20 0 GIADRO CCCCc1oc2ccccc2c1C[NH2+]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000185075585 822733556 /nfs/dbraw/zinc/73/35/56/822733556.db2.gz OPFSLUXXBDDZDF-UHFFFAOYSA-N 1 0 397.494 4.436 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)NC3(c4ccc(F)cc4)CCOCC3)ccc21 ZINC000455836875 822734433 /nfs/dbraw/zinc/73/44/33/822734433.db2.gz BDEOSSPWDVIESM-NRFANRHFSA-N 1 0 397.494 4.202 20 0 GIADRO CCn1ccnc1[C@@H]1CCCCN1C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455837563 822734610 /nfs/dbraw/zinc/73/46/10/822734610.db2.gz BKUZCVZKBCEWNS-PMACEKPBSA-N 1 0 381.524 4.211 20 0 GIADRO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2cc(Br)ccc2O)cn1 ZINC000185085014 822734761 /nfs/dbraw/zinc/73/47/61/822734761.db2.gz CZMJTBXPWJNZBP-ZDUSSCGKSA-N 1 0 378.314 4.247 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CC[C@@H](COc4ccccc4)C3)ccc21 ZINC000455840334 822735070 /nfs/dbraw/zinc/73/50/70/822735070.db2.gz DHOOPRULFWCHGP-VGOFRKELSA-N 1 0 379.504 4.168 20 0 GIADRO COC[C@H](NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)c1ccc(Cl)cc1 ZINC000455845576 822735992 /nfs/dbraw/zinc/73/59/92/822735992.db2.gz HRJJCFWVWRNKKF-PMACEKPBSA-N 1 0 387.911 4.398 20 0 GIADRO C[C@@H]1CN(c2cccc(F)c2)CCN1C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455847808 822736344 /nfs/dbraw/zinc/73/63/44/822736344.db2.gz JFGUJZDTZVTJQQ-ZHRRBRCNSA-N 1 0 396.510 4.117 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CCC[C@]4(C3)OCc3ccccc34)ccc21 ZINC000455848550 822736406 /nfs/dbraw/zinc/73/64/06/822736406.db2.gz JNIHJFCQJUQSTJ-LADGPHEKSA-N 1 0 391.515 4.289 20 0 GIADRO CC(C)c1ncsc1NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000455851654 822737078 /nfs/dbraw/zinc/73/70/78/822737078.db2.gz URPKIXXOIGTHDQ-UHFFFAOYSA-N 1 0 382.480 4.140 20 0 GIADRO CC(C)c1ncsc1NC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000455857887 822738250 /nfs/dbraw/zinc/73/82/50/822738250.db2.gz DBPXHRZEYUKXII-NRFANRHFSA-N 1 0 384.549 4.396 20 0 GIADRO COc1cc2c(cc1F)CC[C@@H]2NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455858208 822738288 /nfs/dbraw/zinc/73/82/88/822738288.db2.gz PAQVANWSDDEMOB-VQTJNVASSA-N 1 0 383.467 4.192 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCC3CCN(c4ccccc4)CC3)ccc21 ZINC000455861685 822738884 /nfs/dbraw/zinc/73/88/84/822738884.db2.gz RGOKVBSMALDAKE-HSZRJFAPSA-N 1 0 392.547 4.274 20 0 GIADRO Cc1ccc(-c2ccsc2C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)cc1 ZINC000050800898 822739154 /nfs/dbraw/zinc/73/91/54/822739154.db2.gz YAUHPUOXSDLWTH-UHFFFAOYSA-N 1 0 397.588 4.012 20 0 GIADRO COCc1ccc([C@H]2CCCN2C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)o1 ZINC000455865897 822739402 /nfs/dbraw/zinc/73/94/02/822739402.db2.gz UOBJZBPFFGXCTG-VQTJNVASSA-N 1 0 383.492 4.344 20 0 GIADRO Cc1csc([C@@H](NC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C(F)(F)F)n1 ZINC000455865917 822739428 /nfs/dbraw/zinc/73/94/28/822739428.db2.gz UQIQOAFTLUHHNA-LSDHHAIUSA-N 1 0 398.454 4.426 20 0 GIADRO COc1cc(F)cc(C[C@H](C)NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)c1 ZINC000455870308 822740185 /nfs/dbraw/zinc/74/01/85/822740185.db2.gz XEXDHTWVBHIPFP-LHSJRXKWSA-N 1 0 385.483 4.136 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N(Cc3ccccc3)[C@H](CO)C3CC3)ccc21 ZINC000455872725 822740573 /nfs/dbraw/zinc/74/05/73/822740573.db2.gz YXEILZPVLIKYRE-XZOQPEGZSA-N 1 0 393.531 4.041 20 0 GIADRO Cc1nc(-c2ccc(NC(=O)c3ccc(C[NH+]4CCCCC4)cc3)cc2)n[nH]1 ZINC000050896633 822742132 /nfs/dbraw/zinc/74/21/32/822742132.db2.gz ZCKQXHZHAOHHCF-UHFFFAOYSA-N 1 0 375.476 4.018 20 0 GIADRO Cc1nc(NC(=O)N2CCC[C@H]([NH+](C)C)CC2)sc1Cc1cccc(F)c1 ZINC000455890108 822743042 /nfs/dbraw/zinc/74/30/42/822743042.db2.gz KQDWEYMTAAXHNX-KRWDZBQOSA-N 1 0 390.528 4.129 20 0 GIADRO COc1ccc([C@H]2CCC[N@@H+]2CC2CCN(C(=O)C(C)(C)C)CC2)c(OC)c1 ZINC000185150569 822743135 /nfs/dbraw/zinc/74/31/35/822743135.db2.gz FPCGPZCGXDGWBA-HXUWFJFHSA-N 1 0 388.552 4.125 20 0 GIADRO O=C(Nc1ccc(Cl)cn1)C1CC[NH+](Cc2cccc(OC(F)F)c2)CC1 ZINC000050960686 822743424 /nfs/dbraw/zinc/74/34/24/822743424.db2.gz CDGTVQRDXHMYHT-UHFFFAOYSA-N 1 0 395.837 4.187 20 0 GIADRO CC(=O)c1ccc2c(c1)CCN(C(=O)Nc1ccc3c(c1)CC[C@@H]3[NH+](C)C)CC2 ZINC000455895859 822744104 /nfs/dbraw/zinc/74/41/04/822744104.db2.gz DDPFGLOZHVVVQQ-QHCPKHFHSA-N 1 0 391.515 4.071 20 0 GIADRO CCSCc1ccc(NC(=O)N2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)cc1 ZINC000455896567 822744280 /nfs/dbraw/zinc/74/42/80/822744280.db2.gz OBEUPOYEPOEVBI-FQEVSTJZSA-N 1 0 398.576 4.321 20 0 GIADRO C[C@@H](NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)c1cccc(-n2cccn2)c1 ZINC000455905476 822746258 /nfs/dbraw/zinc/74/62/58/822746258.db2.gz HNPQDHXVQKYMNY-ZHRRBRCNSA-N 1 0 389.503 4.304 20 0 GIADRO COc1ccccc1OCc1ccc(C(=O)Nc2ccc(C[NH+](C)C)cc2)o1 ZINC000051084622 822746300 /nfs/dbraw/zinc/74/63/00/822746300.db2.gz SDUQNOWUXAXWOD-UHFFFAOYSA-N 1 0 380.444 4.181 20 0 GIADRO Cc1ccc(C(=O)NC2CC[NH+](Cc3cc(-c4ccccc4)no3)CC2)s1 ZINC000051098524 822746360 /nfs/dbraw/zinc/74/63/60/822746360.db2.gz QWMNULYBYUISLI-UHFFFAOYSA-N 1 0 381.501 4.106 20 0 GIADRO C[N@@H+](Cc1ccccc1N1CCCC1)C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000051120067 822746579 /nfs/dbraw/zinc/74/65/79/822746579.db2.gz CUDNIRABBZFYDT-HXUWFJFHSA-N 1 0 378.438 4.471 20 0 GIADRO COc1ccc(OC)c([C@@H](O)C[NH+]2CCC(c3nc4ccccc4s3)CC2)c1 ZINC000051122339 822746707 /nfs/dbraw/zinc/74/67/07/822746707.db2.gz PCVWAJYDNYAXQI-IBGZPJMESA-N 1 0 398.528 4.227 20 0 GIADRO Cc1nc(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)c(-c2ccccc2)o1 ZINC000185190641 822747406 /nfs/dbraw/zinc/74/74/06/822747406.db2.gz XNYZFTDGCNUKSX-UHFFFAOYSA-N 1 0 381.520 4.423 20 0 GIADRO CC(C)c1ccccc1NC(=O)[C@H](C)[NH2+][C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000185189886 822747424 /nfs/dbraw/zinc/74/74/24/822747424.db2.gz LPNILWDEXBYVGH-HNAYVOBHSA-N 1 0 389.540 4.030 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCc3nc(C(F)(F)F)cs3)ccc21 ZINC000455910799 822747493 /nfs/dbraw/zinc/74/74/93/822747493.db2.gz IPYXQYHRXMSXOA-CYBMUJFWSA-N 1 0 384.427 4.033 20 0 GIADRO CCc1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(OC)cc3)CC2)cc1OC ZINC000455911802 822747675 /nfs/dbraw/zinc/74/76/75/822747675.db2.gz PXNCIDKSQFJWRV-UHFFFAOYSA-N 1 0 397.519 4.006 20 0 GIADRO CCN(C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)[C@H](COC)Cc1ccccc1 ZINC000455916837 822748865 /nfs/dbraw/zinc/74/88/65/822748865.db2.gz KOJHFYBZNWLYRG-GMAHTHKFSA-N 1 0 395.547 4.347 20 0 GIADRO C[C@@H](NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)c1ccc(-n2cccn2)cc1 ZINC000455919711 822749435 /nfs/dbraw/zinc/74/94/35/822749435.db2.gz LPAAFANYIUHWQM-ZHRRBRCNSA-N 1 0 389.503 4.304 20 0 GIADRO C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185207044 822749495 /nfs/dbraw/zinc/74/94/95/822749495.db2.gz KJSNRPKYGPFYCE-MJBXVCDLSA-N 1 0 375.340 4.239 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N(CCCO)[C@H]3CCc4ccccc43)ccc21 ZINC000455920606 822749559 /nfs/dbraw/zinc/74/95/59/822749559.db2.gz LQIMYSOYMXKJES-GOTSBHOMSA-N 1 0 393.531 4.139 20 0 GIADRO CCCOc1c(Cl)cc(C[NH2+][C@@H]2c3ccccc3C[C@@H]2O)cc1OCC ZINC000051188189 822749924 /nfs/dbraw/zinc/74/99/24/822749924.db2.gz YHSWRMZXMKIEOC-AZUAARDMSA-N 1 0 375.896 4.275 20 0 GIADRO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H]2c3ccccc3C[C@@H]2O)o1 ZINC000051188150 822749947 /nfs/dbraw/zinc/74/99/47/822749947.db2.gz BSCCNPSPFXGJMD-XUZZJYLKSA-N 1 0 385.467 4.189 20 0 GIADRO CC[C@H]([NH2+][C@H](C)Cc1c(C)nn(C)c1C)c1cc(Br)ccc1O ZINC000185213032 822749988 /nfs/dbraw/zinc/74/99/88/822749988.db2.gz BREGXADRQWTPOX-DIFFPNOSSA-N 1 0 380.330 4.177 20 0 GIADRO COc1ccccc1[C@@H]1CCN(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1 ZINC000455922523 822750093 /nfs/dbraw/zinc/75/00/93/822750093.db2.gz MEHSPXBLPVNDNR-UTKZUKDTSA-N 1 0 379.504 4.266 20 0 GIADRO CC(C)(C)OC(=O)NC[C@H]([NH2+]Cc1coc(-c2ccc(F)c(F)c2)n1)C1CC1 ZINC000185226649 822751852 /nfs/dbraw/zinc/75/18/52/822751852.db2.gz MBBVWUCXCXTXFP-KRWDZBQOSA-N 1 0 393.434 4.013 20 0 GIADRO Cc1nc(NC(=O)N[C@H](C)Cn2ccnc2)sc1Cc1cccc(Cl)c1 ZINC000455931411 822751851 /nfs/dbraw/zinc/75/18/51/822751851.db2.gz PHPHGJZOBXPDQY-GFCCVEGCSA-N 1 0 389.912 4.102 20 0 GIADRO CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000051267732 822752914 /nfs/dbraw/zinc/75/29/14/822752914.db2.gz GRTKONWBYRBOAR-ICSRJNTNSA-N 1 0 387.568 4.105 20 0 GIADRO Cc1ccccc1OCCCN(C)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455936431 822752975 /nfs/dbraw/zinc/75/29/75/822752975.db2.gz RWNDHOZRPYNWLS-OAQYLSRUSA-N 1 0 381.520 4.477 20 0 GIADRO CN(CCCOc1ccc(F)cc1)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455938652 822753311 /nfs/dbraw/zinc/75/33/11/822753311.db2.gz SXZUSUKSGVSOKU-NRFANRHFSA-N 1 0 385.483 4.307 20 0 GIADRO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000051286247 822754334 /nfs/dbraw/zinc/75/43/34/822754334.db2.gz MFBNQWVQLKOVLC-KUHUBIRLSA-N 1 0 390.409 4.013 20 0 GIADRO C[C@H](C1CCC1)N(C)C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000455943738 822754898 /nfs/dbraw/zinc/75/48/98/822754898.db2.gz LSRIASIPPNSAPX-CQSZACIVSA-N 1 0 379.932 4.465 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC3(CCOCc4ccccc4)CC3)ccc21 ZINC000455946047 822755580 /nfs/dbraw/zinc/75/55/80/822755580.db2.gz WONDGBIJSFENRP-JOCHJYFZSA-N 1 0 393.531 4.497 20 0 GIADRO CN(c1ccc(NCc2ccc([N+](=O)[O-])c(Cl)c2)cc1)C1CC[NH+](C)CC1 ZINC000185258981 822755757 /nfs/dbraw/zinc/75/57/57/822755757.db2.gz QIAWVNLCAWZTNB-UHFFFAOYSA-N 1 0 388.899 4.391 20 0 GIADRO Cc1csc([C@H]2CCCN(C(=O)Nc3ccc4c(c3)CC[C@@H]4[NH+](C)C)C2)n1 ZINC000455947006 822755917 /nfs/dbraw/zinc/75/59/17/822755917.db2.gz XEZFAHCNNPXYQK-LPHOPBHVSA-N 1 0 384.549 4.412 20 0 GIADRO COc1cc(CN(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C2CC2)ccc1O ZINC000455947034 822755942 /nfs/dbraw/zinc/75/59/42/822755942.db2.gz XFQTTYCGUYZQFA-HXUWFJFHSA-N 1 0 395.503 4.146 20 0 GIADRO C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N1CCCC1)c1ccc2ccccc2c1O ZINC000185260638 822756083 /nfs/dbraw/zinc/75/60/83/822756083.db2.gz KUFFDFMIBYHJIU-JPYJTQIMSA-N 1 0 388.511 4.430 20 0 GIADRO O=[N+]([O-])c1ccc(CNc2cccc(C[NH+]3CCSCC3)c2)cc1Cl ZINC000185261975 822756238 /nfs/dbraw/zinc/75/62/38/822756238.db2.gz KMCLSEOUUIBQEF-UHFFFAOYSA-N 1 0 377.897 4.409 20 0 GIADRO CC[NH+](CC)CCOc1ccc(NC(=O)NC[C@@H](C)c2ncc(C)s2)cc1 ZINC000185261946 822756287 /nfs/dbraw/zinc/75/62/87/822756287.db2.gz PDVLGMBZLZUPSO-OAHLLOKOSA-N 1 0 390.553 4.097 20 0 GIADRO C[C@H]1C[C@@H](c2cccnc2)N(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000185269019 822757317 /nfs/dbraw/zinc/75/73/17/822757317.db2.gz AJXVKVJFKYEXDH-CVDCTZTESA-N 1 0 392.547 4.360 20 0 GIADRO O=C(Nc1cc(Cl)cc(Br)c1)NC1CC[NH+](CC2CC2)CC1 ZINC000455963808 822758164 /nfs/dbraw/zinc/75/81/64/822758164.db2.gz BXDXPSZBLKJWJI-UHFFFAOYSA-N 1 0 386.721 4.098 20 0 GIADRO C[C@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)c1ccc(OC(C)(C)C)cc1 ZINC000185276711 822758352 /nfs/dbraw/zinc/75/83/52/822758352.db2.gz FWKKJMDVWAENCX-INIZCTEOSA-N 1 0 387.499 4.085 20 0 GIADRO O=[N+]([O-])c1ccc(C[NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)cc1Cl ZINC000185276805 822758399 /nfs/dbraw/zinc/75/83/99/822758399.db2.gz FJYJYUFEZXXVPH-UHFFFAOYSA-N 1 0 395.837 4.281 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)NCCSCc2cccc3ccccc32)CC[N@@H+]1C ZINC000174274436 822761018 /nfs/dbraw/zinc/76/10/18/822761018.db2.gz RVUGQYAAZWOOND-YLJYHZDGSA-N 1 0 385.577 4.197 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)NCCSCc2cccc3ccccc32)CC[N@@H+]1C ZINC000174274454 822761052 /nfs/dbraw/zinc/76/10/52/822761052.db2.gz RVUGQYAAZWOOND-FXAWDEMLSA-N 1 0 385.577 4.197 20 0 GIADRO O=C(Nc1ccc2cnccc2c1)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000455985251 822761767 /nfs/dbraw/zinc/76/17/67/822761767.db2.gz SRMMRLKARLRXDO-UHFFFAOYSA-N 1 0 378.451 4.114 20 0 GIADRO CCSc1ccccc1[C@@H](C)[NH2+]Cc1cccc(N2CCCS2(=O)=O)c1 ZINC000185300781 822762047 /nfs/dbraw/zinc/76/20/47/822762047.db2.gz BEUOHKIOWBPUMW-MRXNPFEDSA-N 1 0 390.574 4.189 20 0 GIADRO O=C(N[C@@H](Cc1ccccc1)c1ccccc1F)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000174284593 822762975 /nfs/dbraw/zinc/76/29/75/822762975.db2.gz USARAQPUZJDUEV-OFNKIYASSA-N 1 0 395.522 4.237 20 0 GIADRO COCc1ccc(CNc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)cc1 ZINC000174291550 822764241 /nfs/dbraw/zinc/76/42/41/822764241.db2.gz OZOFDSLJFPMADM-UHFFFAOYSA-N 1 0 381.520 4.260 20 0 GIADRO C[C@H]([NH2+]C[C@@](C)(O)c1cccc(Cl)c1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000185314192 822764270 /nfs/dbraw/zinc/76/42/70/822764270.db2.gz HIBXNMYSYHBRBC-LHSJRXKWSA-N 1 0 387.911 4.182 20 0 GIADRO CCOc1ccc(-c2nc(C[N@H+](C)[C@@H](CO)CC(C)C)cs2)cc1OC ZINC000185315257 822764518 /nfs/dbraw/zinc/76/45/18/822764518.db2.gz FAIIHWIUIFDNET-QGZVFWFLSA-N 1 0 378.538 4.056 20 0 GIADRO COc1ccc([C@@H]([NH2+]C[C@H](C)Cc2ccc(OC)c(F)c2)c2nccn2C)cc1 ZINC000185316170 822764636 /nfs/dbraw/zinc/76/46/36/822764636.db2.gz ZVZKRXJNDBDMGD-OPAMFIHVSA-N 1 0 397.494 4.134 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)NCc2ccc(OCc3ccccc3F)cc2)CC[N@@H+]1C ZINC000185317879 822765104 /nfs/dbraw/zinc/76/51/04/822765104.db2.gz VYOULKNBFOSECS-PXNSSMCTSA-N 1 0 399.510 4.029 20 0 GIADRO CCOc1ccccc1NC(=O)[C@@H](NC1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000174295451 822765637 /nfs/dbraw/zinc/76/56/37/822765637.db2.gz XPKFYEHZJHOVCZ-QHCPKHFHSA-N 1 0 395.547 4.228 20 0 GIADRO C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1)c1ccc(Cl)c2ccccc21 ZINC000185322320 822765735 /nfs/dbraw/zinc/76/57/35/822765735.db2.gz XMNPCOHAUQTLER-QVKFZJNVSA-N 1 0 386.923 4.314 20 0 GIADRO C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)c1ccc(Cl)c2ccccc21 ZINC000185322275 822765851 /nfs/dbraw/zinc/76/58/51/822765851.db2.gz XMNPCOHAUQTLER-BTYIYWSLSA-N 1 0 386.923 4.314 20 0 GIADRO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)C1(C2CCC2)CCC1 ZINC000456029448 822768503 /nfs/dbraw/zinc/76/85/03/822768503.db2.gz JLYJAYWUMLUUOQ-JOCHJYFZSA-N 1 0 396.575 4.002 20 0 GIADRO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)c2ccc(F)cc2C1 ZINC000185355085 822770464 /nfs/dbraw/zinc/77/04/64/822770464.db2.gz ICQBMORECZANMQ-LJQANCHMSA-N 1 0 380.385 4.428 20 0 GIADRO CSC1(CNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CC[NH+](C)CC1 ZINC000456046419 822770626 /nfs/dbraw/zinc/77/06/26/822770626.db2.gz LKPLWWGYGSSLIF-UONOGXRCSA-N 1 0 387.376 4.041 20 0 GIADRO CCC[C@H]([NH2+]Cc1cccc(COC)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000174332826 822772777 /nfs/dbraw/zinc/77/27/77/822772777.db2.gz KHCKYAPVUHASPU-QHCPKHFHSA-N 1 0 395.547 4.330 20 0 GIADRO COc1ccc([C@@H](CNC(=O)N(C)C(C2CC2)C2CC2)[NH+]2CCCCC2)cc1 ZINC000051676152 822773230 /nfs/dbraw/zinc/77/32/30/822773230.db2.gz GXLOVDHYVNRHGK-OAQYLSRUSA-N 1 0 385.552 4.052 20 0 GIADRO CC(=O)Nc1ccc(C)c(NC(=O)N[C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)c1 ZINC000185375409 822774461 /nfs/dbraw/zinc/77/44/61/822774461.db2.gz HJRNMPZOPHDKAK-QFIPXVFZSA-N 1 0 396.535 4.232 20 0 GIADRO Cc1ccc(C(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c(C2CC2)n1 ZINC000456076266 822774853 /nfs/dbraw/zinc/77/48/53/822774853.db2.gz YWQNKFGKXWWGPO-UHFFFAOYSA-N 1 0 389.543 4.396 20 0 GIADRO C[C@H](NC(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1ccc(-c2ccncc2)cc1 ZINC000174345751 822775869 /nfs/dbraw/zinc/77/58/69/822775869.db2.gz XWBUUNXKWUKTDC-IBGZPJMESA-N 1 0 392.547 4.470 20 0 GIADRO Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@H](C(=O)NC2CC2)c2ccccc2)cc1 ZINC000174349258 822776257 /nfs/dbraw/zinc/77/62/57/822776257.db2.gz RVCHQEGKRZSYQZ-PUHATCMVSA-N 1 0 378.516 4.072 20 0 GIADRO C[NH+](C)CCn1ccc2ccc(NC(=O)[C@H]3SCCc4sccc43)cc21 ZINC000174368287 822779014 /nfs/dbraw/zinc/77/90/14/822779014.db2.gz NTMLANJPQRVXEG-IBGZPJMESA-N 1 0 385.558 4.234 20 0 GIADRO COc1cc(C[NH2+]C[C@H](O)c2ccc(-c3ccccc3)cc2)cc(OC)c1OC ZINC000185418073 822781299 /nfs/dbraw/zinc/78/12/99/822781299.db2.gz FZEJPCXPTYXBOO-NRFANRHFSA-N 1 0 393.483 4.203 20 0 GIADRO Cc1ccc([C@H](CNC(=O)N[C@H](C)c2nc(C3CCCCC3)no2)[NH+](C)C)cc1 ZINC000174384560 822781626 /nfs/dbraw/zinc/78/16/26/822781626.db2.gz UTTVPJRFIZZSCW-APWZRJJASA-N 1 0 399.539 4.089 20 0 GIADRO COc1ccccc1-c1ccc(C[NH2+]CCNC(=O)c2c(F)cccc2F)cc1 ZINC000174384702 822781644 /nfs/dbraw/zinc/78/16/44/822781644.db2.gz YYHIMXZSLMMRJP-UHFFFAOYSA-N 1 0 396.437 4.160 20 0 GIADRO COc1ccccc1-c1ccc(C[NH2+]CCCNC(=O)c2cccs2)cc1 ZINC000174388199 822782119 /nfs/dbraw/zinc/78/21/19/822782119.db2.gz ISCQARNYYREVJH-UHFFFAOYSA-N 1 0 380.513 4.333 20 0 GIADRO C[NH+](C)Cc1ccsc1C(=O)N1CC[C@@H](c2cccc(Br)c2)C1 ZINC000456132809 822782468 /nfs/dbraw/zinc/78/24/68/822782468.db2.gz AJMQPHSKOKQZAU-CQSZACIVSA-N 1 0 393.350 4.202 20 0 GIADRO Cc1ccccc1[C@H]1CN(C(=O)c2cccc(C[NH+]3CCCC3)c2)[C@@H](C)CO1 ZINC000174393356 822783101 /nfs/dbraw/zinc/78/31/01/822783101.db2.gz PNVGACCBGWKDGJ-WMZHIEFXSA-N 1 0 378.516 4.193 20 0 GIADRO CN(Cc1nnc(-c2ccccc2Cl)o1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174402477 822784980 /nfs/dbraw/zinc/78/49/80/822784980.db2.gz KBZBYGLGCKEKRK-GOSISDBHSA-N 1 0 396.922 4.344 20 0 GIADRO COc1cc2c(cc1NC(=O)N1CC[C@@H]([NH+]3CC=CC3)C1)oc1ccccc12 ZINC000174406956 822786145 /nfs/dbraw/zinc/78/61/45/822786145.db2.gz ZNYJWVVCLKGTRL-OAHLLOKOSA-N 1 0 377.444 4.073 20 0 GIADRO Clc1ccc(OC[C@@H]2CCCO2)c(C[NH2+]Cc2ccccc2-n2ccnc2)c1 ZINC000174409548 822786340 /nfs/dbraw/zinc/78/63/40/822786340.db2.gz BZFASFGPEAHTTK-FQEVSTJZSA-N 1 0 397.906 4.373 20 0 GIADRO Cc1cc([C@H]2CCC[N@@H+]2C[C@H](O)COc2ccc(Oc3ccccc3)cc2)on1 ZINC000052009255 822786785 /nfs/dbraw/zinc/78/67/85/822786785.db2.gz KFXGEONBFFBECV-PGRDOPGGSA-N 1 0 394.471 4.352 20 0 GIADRO COc1ccc(N(CC2CC2)C(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000456186090 822787043 /nfs/dbraw/zinc/78/70/43/822787043.db2.gz XSBVWRGYSQSPSH-UHFFFAOYSA-N 1 0 378.516 4.350 20 0 GIADRO Cc1cc(Br)ccc1SCC(=O)NC(C)(C)CCC[NH+](C)C ZINC000456196818 822787674 /nfs/dbraw/zinc/78/76/74/822787674.db2.gz ILJJCBNYAPWZJE-UHFFFAOYSA-N 1 0 387.387 4.086 20 0 GIADRO Cc1nc(Cc2ccc(F)cc2)sc1C(=O)NC(C)(C)CCC[NH+](C)C ZINC000456209598 822788214 /nfs/dbraw/zinc/78/82/14/822788214.db2.gz VRMIYSRKUOPIOA-UHFFFAOYSA-N 1 0 377.529 4.032 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)CCc1nc2ccccc2n1-c1ccccc1 ZINC000456209627 822788250 /nfs/dbraw/zinc/78/82/50/822788250.db2.gz VVXVXBSMAYEFKJ-UHFFFAOYSA-N 1 0 392.547 4.195 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1ccccc1Oc1cccnc1)c1ccco1 ZINC000052027439 822788455 /nfs/dbraw/zinc/78/84/55/822788455.db2.gz MOMSVRXGRJYLFR-LJQANCHMSA-N 1 0 379.460 4.280 20 0 GIADRO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1ccccc1Oc1cccnc1 ZINC000052027523 822788480 /nfs/dbraw/zinc/78/84/80/822788480.db2.gz WKIJZQPCTHWRCT-UHFFFAOYSA-N 1 0 379.504 4.258 20 0 GIADRO Cc1nn(Cc2ccccc2Cl)c(Cl)c1C[NH2+]C[C@@H]1CCC[C@H](O)C1 ZINC000174428879 822788750 /nfs/dbraw/zinc/78/87/50/822788750.db2.gz BRBVEVNTOXAAQD-ZBFHGGJFSA-N 1 0 382.335 4.187 20 0 GIADRO CC(C)Oc1cccc([C@H](O)C[NH2+][C@H](C)c2cc(Br)ccc2O)c1 ZINC000185478476 822788838 /nfs/dbraw/zinc/78/88/38/822788838.db2.gz AMUCNPWEAUVKAJ-BFUOFWGJSA-N 1 0 394.309 4.326 20 0 GIADRO Cc1nc(-c2ccncc2)nc(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c1C ZINC000185481374 822789136 /nfs/dbraw/zinc/78/91/36/822789136.db2.gz BFVBJCPLBVQVMO-KRWDZBQOSA-N 1 0 379.533 4.100 20 0 GIADRO CC(C)n1ncc2cc(CN3CC[C@@H](C)[N@H+](Cc4ccccc4)CC3)cnc21 ZINC000174432083 822789338 /nfs/dbraw/zinc/78/93/38/822789338.db2.gz KXYZJXIYCYRQPL-LJQANCHMSA-N 1 0 377.536 4.109 20 0 GIADRO CCOC(=O)c1oc2ccccc2c1C[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000185485621 822789520 /nfs/dbraw/zinc/78/95/20/822789520.db2.gz FWTXAYZXEBBPKZ-UHFFFAOYSA-N 1 0 379.456 4.093 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)Nc2cc(F)c(OC)c(F)c2OC)cc1 ZINC000456250875 822790075 /nfs/dbraw/zinc/79/00/75/822790075.db2.gz LVZYAFCQBAPIFZ-UHFFFAOYSA-N 1 0 378.419 4.076 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)c3cc(Br)cc4[nH]cnc43)ccc21 ZINC000456255037 822790617 /nfs/dbraw/zinc/79/06/17/822790617.db2.gz AYVYYVPHOQPWQR-QGZVFWFLSA-N 1 0 399.292 4.127 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCCc3cc(OC(F)F)ccc32)C1 ZINC000174448377 822791016 /nfs/dbraw/zinc/79/10/16/822791016.db2.gz FWFRWKQGIGXQAT-HNAYVOBHSA-N 1 0 395.494 4.039 20 0 GIADRO C[C@H]1CCCN(C(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)c2ccccc21 ZINC000185499622 822791167 /nfs/dbraw/zinc/79/11/67/822791167.db2.gz VUFIMHMLDZIOMJ-IBGZPJMESA-N 1 0 392.543 4.435 20 0 GIADRO C[C@H]([NH2+]CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)[C@@H](C)C1CCCCC1 ZINC000185500212 822791213 /nfs/dbraw/zinc/79/12/13/822791213.db2.gz WTJVINZVFGAULC-MOPGFXCFSA-N 1 0 399.579 4.058 20 0 GIADRO CC(C)c1[nH]nc(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)c1Br ZINC000456264006 822791509 /nfs/dbraw/zinc/79/15/09/822791509.db2.gz HDOZAVVPEPIGLR-AWEZNQCLSA-N 1 0 391.313 4.097 20 0 GIADRO O=C(NC[C@H]1CCC[N@@H+](CC2CCC(C(F)(F)F)CC2)C1)c1ccccc1 ZINC000185506859 822791669 /nfs/dbraw/zinc/79/16/69/822791669.db2.gz PRMTYQIJRVGRGU-TVRKMHQQSA-N 1 0 382.470 4.497 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)Cc3ccc(Br)c(F)c3)ccc21 ZINC000456265237 822791729 /nfs/dbraw/zinc/79/17/29/822791729.db2.gz HTDVDVKYPDEYPY-GOSISDBHSA-N 1 0 391.284 4.318 20 0 GIADRO Cc1cnc([C@H](NC(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)C2CC2)s1 ZINC000174452736 822791819 /nfs/dbraw/zinc/79/18/19/822791819.db2.gz YNEMZCCLAITGOF-WOJBJXKFSA-N 1 0 398.576 4.347 20 0 GIADRO Cc1ccc(-c2nc(CC(=O)Nc3ccc4c(c3)CC[C@H]4[NH+](C)C)cs2)o1 ZINC000456275254 822792867 /nfs/dbraw/zinc/79/28/67/822792867.db2.gz NAQHWRUVMGCGLM-GOSISDBHSA-N 1 0 381.501 4.442 20 0 GIADRO CS(=O)(=O)C1CCC([NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000174458797 822792924 /nfs/dbraw/zinc/79/29/24/822792924.db2.gz XOIDPRQKINBXCP-UHFFFAOYSA-N 1 0 390.530 4.002 20 0 GIADRO CCCC[N@H+](C)CC1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000052209932 822793087 /nfs/dbraw/zinc/79/30/87/822793087.db2.gz FTGXTQARPMBKAI-UHFFFAOYSA-N 1 0 385.474 4.088 20 0 GIADRO Cc1noc2nc(C(C)C)cc(C(=O)Nc3ccc4c(c3)CC[C@@H]4[NH+](C)C)c12 ZINC000456282011 822793734 /nfs/dbraw/zinc/79/37/34/822793734.db2.gz RWBKCKHFDDVCMR-IBGZPJMESA-N 1 0 378.476 4.456 20 0 GIADRO Cc1csc([C@H](NC(=O)NC(C)(C)CC[NH+]2CCCCCC2)C2CC2)n1 ZINC000185530347 822793882 /nfs/dbraw/zinc/79/38/82/822793882.db2.gz WEFRZXCZVVEKBX-QGZVFWFLSA-N 1 0 378.586 4.247 20 0 GIADRO C[C@H](O)CC(C)(C)C[NH2+]Cc1csc(-c2cccc(Br)c2)n1 ZINC000174464772 822793899 /nfs/dbraw/zinc/79/38/99/822793899.db2.gz NQMWIKUBOQSLEB-LBPRGKRZSA-N 1 0 383.355 4.459 20 0 GIADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]CC(C)(C)C[C@@H](C)O ZINC000174465159 822794024 /nfs/dbraw/zinc/79/40/24/822794024.db2.gz YWOCKAAVVMOAIJ-CYBMUJFWSA-N 1 0 394.357 4.138 20 0 GIADRO CCCN(CC)C(=O)c1ccc(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)cc1 ZINC000456290413 822794804 /nfs/dbraw/zinc/79/48/04/822794804.db2.gz YCNZLVKMUQYPCK-JOCHJYFZSA-N 1 0 393.531 4.360 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(-c2cncnc2)cc1F)c1ccccc1 ZINC000185546595 822795257 /nfs/dbraw/zinc/79/52/57/822795257.db2.gz KRLRDCMPVNJCLE-QFIPXVFZSA-N 1 0 392.478 4.096 20 0 GIADRO C[C@@H](CCc1ccccc1)NC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174483552 822795592 /nfs/dbraw/zinc/79/55/92/822795592.db2.gz HYVZOIAXAZUWNN-NZQKXSOJSA-N 1 0 379.548 4.171 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)C3(Cc4cccc(F)c4)CCOCC3)ccc21 ZINC000456306596 822796544 /nfs/dbraw/zinc/79/65/44/822796544.db2.gz IRMWESIJGGYDCN-JOCHJYFZSA-N 1 0 396.506 4.353 20 0 GIADRO COc1ccc(C[NH2+][C@H](C)[C@@H]2COc3ccccc32)c(Br)c1OC ZINC000185560715 822796579 /nfs/dbraw/zinc/79/65/79/822796579.db2.gz IWIFYZKJIXGYGK-DOMZBBRYSA-N 1 0 392.293 4.121 20 0 GIADRO C[NH+](C)CCN(Cc1ccccc1)C(=O)Nc1cccc(Oc2ccccn2)c1 ZINC000174501739 822797641 /nfs/dbraw/zinc/79/76/41/822797641.db2.gz UEYNSEHASIXUQP-UHFFFAOYSA-N 1 0 390.487 4.470 20 0 GIADRO Cn1c2ccc(C(=O)Nc3ccc4c(c3)CC[C@H]4[NH+](C)C)cc2nc1C(F)F ZINC000456321604 822798239 /nfs/dbraw/zinc/79/82/39/822798239.db2.gz OOLNLZJHGGBRDI-QGZVFWFLSA-N 1 0 384.430 4.312 20 0 GIADRO 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 822798592 /nfs/dbraw/zinc/79/85/92/822798592.db2.gz DDWLLDXPUQAYAG-RGPMPMONSA-N 1 0 382.470 4.074 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(OC)c(OCc3cccnc3)c2)C12CCC2 ZINC000174508766 822798689 /nfs/dbraw/zinc/79/86/89/822798689.db2.gz UOEUGYZAVNDTOK-FCHUYYIVSA-N 1 0 382.504 4.107 20 0 GIADRO COc1cccc([C@H]2CCC[N@@H+]2CC(=O)N(C)[C@H](C)c2ccccc2OC)c1 ZINC000052429976 822799272 /nfs/dbraw/zinc/79/92/72/822799272.db2.gz ZUIHLSCSIHOMFG-DYESRHJHSA-N 1 0 382.504 4.060 20 0 GIADRO CCc1cnc(CNC(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)s1 ZINC000174512065 822799283 /nfs/dbraw/zinc/79/92/83/822799283.db2.gz KDIFAYAJXATYGP-MRXNPFEDSA-N 1 0 392.594 4.039 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(C(C)C)nc3c2c(C)nn3C(C)(C)C)C1 ZINC000174520344 822800173 /nfs/dbraw/zinc/80/01/73/822800173.db2.gz XULLOPOCSVHPDG-KRWDZBQOSA-N 1 0 399.583 4.032 20 0 GIADRO COc1ccc(N2CCC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3C(C)C)CC2)cc1 ZINC000052466398 822800783 /nfs/dbraw/zinc/80/07/83/822800783.db2.gz FSOZHGMGVHLPIU-IBGZPJMESA-N 1 0 395.547 4.358 20 0 GIADRO CCC(=O)Nc1cccc(C(=O)Nc2ccc(OCC[NH+](CC)CC)cc2)c1 ZINC000052472535 822800941 /nfs/dbraw/zinc/80/09/41/822800941.db2.gz WKRCEFKPPPXQTP-UHFFFAOYSA-N 1 0 383.492 4.008 20 0 GIADRO CCCC[NH+]1CCC(NC(=O)N[C@@H](CC)c2nc(C(F)(F)F)cs2)CC1 ZINC000174526188 822801063 /nfs/dbraw/zinc/80/10/63/822801063.db2.gz ZERTXUSGRQOXMS-ZDUSSCGKSA-N 1 0 392.491 4.177 20 0 GIADRO C[C@@H]1CN(C(=O)c2cnc(-c3ccsc3)s2)CC[N@H+](Cc2ccccc2)C1 ZINC000456351860 822801335 /nfs/dbraw/zinc/80/13/35/822801335.db2.gz XEWSAJLWSYHNBD-INIZCTEOSA-N 1 0 397.569 4.466 20 0 GIADRO C[C@@H]1CN(C(=O)c2cc(C3CC3)n(C(C)(C)C)n2)CC[N@H+](Cc2ccccc2)C1 ZINC000456353124 822801547 /nfs/dbraw/zinc/80/15/47/822801547.db2.gz ZDHVEAJSCNHGMS-SFHVURJKSA-N 1 0 394.563 4.110 20 0 GIADRO C[C@](O)(C[NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccco1 ZINC000174531271 822801938 /nfs/dbraw/zinc/80/19/38/822801938.db2.gz KGXADQZWQDTMKE-KRWDZBQOSA-N 1 0 382.407 4.419 20 0 GIADRO O=C(CCc1ccc(-c2ccccc2F)o1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000174532408 822802222 /nfs/dbraw/zinc/80/22/22/822802222.db2.gz LLHOZPKVNUFYLD-SFHVURJKSA-N 1 0 384.495 4.353 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1ccc(Br)cc1Cl)c1ccsc1 ZINC000052517543 822802343 /nfs/dbraw/zinc/80/23/43/822802343.db2.gz WIEYPILOEDDEHV-AWEZNQCLSA-N 1 0 387.730 4.197 20 0 GIADRO C[C@H](C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1)c1cccnc1 ZINC000174535089 822802461 /nfs/dbraw/zinc/80/24/61/822802461.db2.gz MKYSYYVVGHWOGT-SFHVURJKSA-N 1 0 394.519 4.028 20 0 GIADRO O=C(c1[nH]c2ccc(Cl)cc2c1Cl)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174539000 822802762 /nfs/dbraw/zinc/80/27/62/822802762.db2.gz BRCCLMDGMCNVSK-CYBMUJFWSA-N 1 0 380.319 4.423 20 0 GIADRO C[C@@](Cc1cccc(Br)c1)([NH2+]Cc1cncnc1)c1ccccc1 ZINC000174541312 822803131 /nfs/dbraw/zinc/80/31/31/822803131.db2.gz VZCJXKYRJHAVEB-FQEVSTJZSA-N 1 0 382.305 4.487 20 0 GIADRO CC(C)c1noc2nc(C3CC3)cc(C(=O)N3CC[C@H](C[NH+]4CCCCC4)C3)c21 ZINC000174547585 822803477 /nfs/dbraw/zinc/80/34/77/822803477.db2.gz UHNAWOUUDZUUFP-MRXNPFEDSA-N 1 0 396.535 4.172 20 0 GIADRO CC(C)n1cnnc1[C@H]1CCC[N@H+](CCOc2ccccc2C(F)(F)F)C1 ZINC000174552442 822804095 /nfs/dbraw/zinc/80/40/95/822804095.db2.gz GDGUBYBDCYJRQU-HNNXBMFYSA-N 1 0 382.430 4.136 20 0 GIADRO O=C([C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174553150 822804257 /nfs/dbraw/zinc/80/42/57/822804257.db2.gz VMSWYVUUHXQFCR-ZTFGCOKTSA-N 1 0 381.347 4.431 20 0 GIADRO Cc1ccccc1-c1noc([C@H](C)[N@@H+]2CCC[C@H](c3nncn3C(C)C)C2)n1 ZINC000174552892 822804304 /nfs/dbraw/zinc/80/43/04/822804304.db2.gz DPXNODGHDIJJPL-IRXDYDNUSA-N 1 0 380.496 4.158 20 0 GIADRO COc1ccc2oc(C)c(C(=O)NCc3cccc(C[NH+]4CCCC4)c3)c2c1 ZINC000052590882 822804577 /nfs/dbraw/zinc/80/45/77/822804577.db2.gz DCULPLIPNHXCNR-UHFFFAOYSA-N 1 0 378.472 4.276 20 0 GIADRO Cn1c2ccccc2nc1C(C)(C)[NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000185638099 822805452 /nfs/dbraw/zinc/80/54/52/822805452.db2.gz JKXVXGXJPWMMJM-LJQANCHMSA-N 1 0 379.504 4.156 20 0 GIADRO COc1cc(C[NH2+]CC2(SC)CCOCC2)ccc1OCc1cccs1 ZINC000174563998 822805553 /nfs/dbraw/zinc/80/55/53/822805553.db2.gz ISKLTCKELGFFLP-UHFFFAOYSA-N 1 0 393.574 4.338 20 0 GIADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)Nc1ccc2nc(C(C)(C)C)sc2c1 ZINC000174566950 822805843 /nfs/dbraw/zinc/80/58/43/822805843.db2.gz JXYRKSGWNZELHG-GOSISDBHSA-N 1 0 389.565 4.326 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)c2cc(Cl)cc(Cl)n2)[C@@H]1c1cccs1 ZINC000185644762 822806013 /nfs/dbraw/zinc/80/60/13/822806013.db2.gz HMNNYCWKRHXEHM-BDJLRTHQSA-N 1 0 384.332 4.263 20 0 GIADRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000052662333 822806711 /nfs/dbraw/zinc/80/67/11/822806711.db2.gz IOYDEZDXBRNSTG-HXOBKFHXSA-N 1 0 390.483 4.410 20 0 GIADRO COc1ccc(C)cc1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccccc1OC(F)F ZINC000052661741 822806755 /nfs/dbraw/zinc/80/67/55/822806755.db2.gz GFYMUVSFELWBIF-KBPBESRZSA-N 1 0 378.419 4.283 20 0 GIADRO O=C(N[C@@H]1CCc2cc(F)c(F)c(F)c21)C1CC[NH+](Cc2ccccc2)CC1 ZINC000456438676 822807041 /nfs/dbraw/zinc/80/70/41/822807041.db2.gz CZRFPKRROASYQC-GOSISDBHSA-N 1 0 388.433 4.120 20 0 GIADRO C[C@H](C(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)c1cn(C)c2ccccc12 ZINC000185654740 822807164 /nfs/dbraw/zinc/80/71/64/822807164.db2.gz HERSOJLGWPFUJV-IBGZPJMESA-N 1 0 389.543 4.405 20 0 GIADRO C[C@@H](NCC(=O)Nc1ccccc1SC(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185674184 822808880 /nfs/dbraw/zinc/80/88/80/822808880.db2.gz MPUZWJCWVAVYNI-HUUCEWRRSA-N 1 0 397.535 4.182 20 0 GIADRO Cc1cccc(OCc2nnc(SCC[N@@H+](C)Cc3ccc(F)cc3)o2)c1 ZINC000185679463 822809453 /nfs/dbraw/zinc/80/94/53/822809453.db2.gz UXMSCFWAGGBVOF-UHFFFAOYSA-N 1 0 387.480 4.320 20 0 GIADRO COC(=O)COc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc(Br)c2)cc1 ZINC000185686386 822810116 /nfs/dbraw/zinc/81/01/16/822810116.db2.gz JFRHNTRFAJQHMZ-ZIAGYGMSSA-N 1 0 392.293 4.413 20 0 GIADRO O=C(N[C@@H]1CCO[C@H](c2cccs2)C1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000456497782 822810500 /nfs/dbraw/zinc/81/05/00/822810500.db2.gz FHQGJEBQVASIDB-UXHICEINSA-N 1 0 384.545 4.384 20 0 GIADRO C[C@@H](CC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)C(=O)c1cccc(F)c1 ZINC000174600909 822810649 /nfs/dbraw/zinc/81/06/49/822810649.db2.gz HOOIYKXOWBGVDZ-OALUTQOASA-N 1 0 388.527 4.149 20 0 GIADRO Cc1cc(C[NH2+]C2CCC(O)(c3cccnc3)CC2)ccc1Oc1cccnc1 ZINC000185694364 822810690 /nfs/dbraw/zinc/81/06/90/822810690.db2.gz XZWKUMLJTKUWOB-UHFFFAOYSA-N 1 0 389.499 4.497 20 0 GIADRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)NCc3ccc(C(F)F)cc3)C2)CC1 ZINC000185694276 822810778 /nfs/dbraw/zinc/81/07/78/822810778.db2.gz RIEZEXDQYFMTGI-SFHVURJKSA-N 1 0 379.495 4.278 20 0 GIADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)NCc2ccc(C(F)F)cc2)CC1 ZINC000185695605 822810873 /nfs/dbraw/zinc/81/08/73/822810873.db2.gz OREQHVLYHWEEAD-UHFFFAOYSA-N 1 0 377.435 4.023 20 0 GIADRO COc1ccccc1O[C@H](C)C[NH2+]Cc1ccccc1OCc1cccnc1 ZINC000174607843 822811834 /nfs/dbraw/zinc/81/18/34/822811834.db2.gz OKXTYMDLYVDASO-GOSISDBHSA-N 1 0 378.472 4.226 20 0 GIADRO CC(C)(NC(=O)Nc1ccccc1)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000174608090 822811977 /nfs/dbraw/zinc/81/19/77/822811977.db2.gz ZUZCXRHPKPGARW-UHFFFAOYSA-N 1 0 394.519 4.211 20 0 GIADRO C[C@H]1C[C@@H](C(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3s2)CC[N@@H+]1C ZINC000456516106 822812186 /nfs/dbraw/zinc/81/21/86/822812186.db2.gz DKMOGLQPKCACSO-QRFRQXIXSA-N 1 0 393.556 4.427 20 0 GIADRO CCC[C@@H](NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000174617649 822813062 /nfs/dbraw/zinc/81/30/62/822813062.db2.gz NMWGTDYTNJUVOB-QZTJIDSGSA-N 1 0 381.442 4.202 20 0 GIADRO CS(=O)(=O)c1cccc([C@H]([NH2+]Cc2cccc3[nH]ccc32)c2ccccc2)c1 ZINC000174631134 822814654 /nfs/dbraw/zinc/81/46/54/822814654.db2.gz LURPEPPEDKXYSF-HSZRJFAPSA-N 1 0 390.508 4.451 20 0 GIADRO COc1ccccc1[C@H](C[NH2+]C1CCN(Cc2ccccc2)CC1)OC(C)C ZINC000185725308 822814952 /nfs/dbraw/zinc/81/49/52/822814952.db2.gz DVZAVTSPSCPIFH-DEOSSOPVSA-N 1 0 382.548 4.416 20 0 GIADRO C[C@H](C(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(F)(F)F)[N@H+](C)Cc1ccccc1 ZINC000456568721 822816876 /nfs/dbraw/zinc/81/68/76/822816876.db2.gz GKAPBUOVDWDGGG-VHDGCEQUSA-N 1 0 396.375 4.239 20 0 GIADRO C[C@@H]1CCN(C(=O)NCc2nc3ccccc3s2)CC[N@@H+]1Cc1ccccc1 ZINC000174649046 822817479 /nfs/dbraw/zinc/81/74/79/822817479.db2.gz HZKJHMJWZHGHQR-QGZVFWFLSA-N 1 0 394.544 4.102 20 0 GIADRO C[C@@H](NCC(=O)Nc1cc(Cl)ccc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185751781 822817596 /nfs/dbraw/zinc/81/75/96/822817596.db2.gz PFBSRMFQWRTWGM-KGLIPLIRSA-N 1 0 384.351 4.175 20 0 GIADRO COc1ccc([C@H]([NH2+][C@@H]2CCC[C@H](C)C2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000174649821 822817703 /nfs/dbraw/zinc/81/77/03/822817703.db2.gz XIWOUTPVOGWAMA-NBCNXNJRSA-N 1 0 387.545 4.356 20 0 GIADRO C[C@H](NCC(=O)Nc1c(Cl)cccc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185751940 822817700 /nfs/dbraw/zinc/81/77/00/822817700.db2.gz UGFOIUUYCMUXQO-KBPBESRZSA-N 1 0 384.351 4.175 20 0 GIADRO COc1cccc(NC(=O)CC[N@@H+]2CCC[C@H]2c2nc3ccccc3s2)c1 ZINC000174655687 822818827 /nfs/dbraw/zinc/81/88/27/822818827.db2.gz QLELZGQTKZNRMC-SFHVURJKSA-N 1 0 381.501 4.471 20 0 GIADRO C[C@@H](NCC(=O)Nc1ccc(Cl)cc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185765227 822818978 /nfs/dbraw/zinc/81/89/78/822818978.db2.gz UGPCVDNQWLNSNO-ZIAGYGMSSA-N 1 0 384.351 4.175 20 0 GIADRO CC[NH+](CC)CC1CCN(C(=O)c2cc(-c3cccc(Cl)c3)on2)CC1 ZINC000053058972 822820216 /nfs/dbraw/zinc/82/02/16/822820216.db2.gz PNISDUFJWWQQKM-UHFFFAOYSA-N 1 0 375.900 4.189 20 0 GIADRO C[C@H](C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1cn(C)c2ccccc12 ZINC000185787274 822821202 /nfs/dbraw/zinc/82/12/02/822821202.db2.gz FNIIEINLTJOUBQ-ROUUACIJSA-N 1 0 390.531 4.019 20 0 GIADRO CC[N@H+](CC(=O)N1CCc2[nH]c3ccccc3c2C1)[C@H](C)c1ccc(F)cc1 ZINC000053088711 822821183 /nfs/dbraw/zinc/82/11/83/822821183.db2.gz CSXZZRVDXBSQQP-MRXNPFEDSA-N 1 0 379.479 4.275 20 0 GIADRO CC(C)c1ccsc1C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000053091495 822821295 /nfs/dbraw/zinc/82/12/95/822821295.db2.gz WNVMMNPWFZYAIW-UHFFFAOYSA-N 1 0 385.577 4.204 20 0 GIADRO Cc1oc2ccccc2c1C(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000185789634 822821482 /nfs/dbraw/zinc/82/14/82/822821482.db2.gz VQIMFTUCYBPLJR-CALCHBBNSA-N 1 0 384.520 4.093 20 0 GIADRO O=C(CCCOc1cccc(Cl)c1Cl)NC1CC[NH+](C2CCC2)CC1 ZINC000456681841 822822215 /nfs/dbraw/zinc/82/22/15/822822215.db2.gz IDSWVCVVSAZXON-UHFFFAOYSA-N 1 0 385.335 4.286 20 0 GIADRO CC(C)COc1ccc(C2(C(=O)NC3CC[NH+](C4CCC4)CC3)CCC2)cc1 ZINC000456684987 822822401 /nfs/dbraw/zinc/82/24/01/822822401.db2.gz PIFNRGDIBUTJFK-UHFFFAOYSA-N 1 0 384.564 4.276 20 0 GIADRO Cc1ccccc1COc1ccccc1C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000456689162 822822816 /nfs/dbraw/zinc/82/28/16/822822816.db2.gz ARRARUGPRXEZCL-UHFFFAOYSA-N 1 0 378.516 4.321 20 0 GIADRO CC(=O)Nc1ccc2c(C[N@H+](Cc3ccco3)C3CCCC3)cc(=O)oc2c1 ZINC000053140097 822823391 /nfs/dbraw/zinc/82/33/91/822823391.db2.gz QFBVUKWOVTURNJ-UHFFFAOYSA-N 1 0 380.444 4.289 20 0 GIADRO C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000456694973 822823663 /nfs/dbraw/zinc/82/36/63/822823663.db2.gz ILIGTPZYJDSRLI-SFHVURJKSA-N 1 0 378.516 4.254 20 0 GIADRO CO[C@H](C)c1nc(C)c(C(=O)N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)s1 ZINC000456696884 822823790 /nfs/dbraw/zinc/82/37/90/822823790.db2.gz QOMRJHDPXIXEJL-OAHLLOKOSA-N 1 0 381.586 4.132 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000053175479 822824518 /nfs/dbraw/zinc/82/45/18/822824518.db2.gz KAAVHROSYPCLFQ-JXFKEZNVSA-N 1 0 381.520 4.035 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)CCc3ccc([C@@H]4C[C@@H]4C)o3)c(C)c2)CC1 ZINC000053175627 822824617 /nfs/dbraw/zinc/82/46/17/822824617.db2.gz ORCYJZCFYKUOAX-LAUBAEHRSA-N 1 0 395.547 4.425 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CCc1ccc([C@H]2C[C@H]2C)o1 ZINC000053175481 822824675 /nfs/dbraw/zinc/82/46/75/822824675.db2.gz KAAVHROSYPCLFQ-UZLBHIALSA-N 1 0 381.520 4.035 20 0 GIADRO C[C@@H]([NH2+]Cc1nc2ccccc2c(=O)n1C)[C@@H](C)c1ccccc1C(F)(F)F ZINC000185824088 822824721 /nfs/dbraw/zinc/82/47/21/822824721.db2.gz JIUPUWFHLYSDMY-ZIAGYGMSSA-N 1 0 389.421 4.234 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)NCCCOC2CCCCC2)[C@@H]1c1cccs1 ZINC000174698491 822824978 /nfs/dbraw/zinc/82/49/78/822824978.db2.gz XMDXUNRAQHOWLX-FXAWDEMLSA-N 1 0 393.597 4.170 20 0 GIADRO C[C@H](c1ccccc1C(F)(F)F)[C@H](C)[NH2+]Cc1cc(=O)n2ccsc2n1 ZINC000185829429 822825196 /nfs/dbraw/zinc/82/51/96/822825196.db2.gz HEXZEFHYUFGVEW-RYUDHWBXSA-N 1 0 381.423 4.057 20 0 GIADRO CCCc1noc(CCCC(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)n1 ZINC000053187655 822825418 /nfs/dbraw/zinc/82/54/18/822825418.db2.gz GXQXQYMNFCYKKV-SFHVURJKSA-N 1 0 398.551 4.036 20 0 GIADRO CCS(=O)(=O)c1ccc2oc(C[NH2+]C3(Cc4ccccc4)CCCC3)nc2c1 ZINC000185842471 822826566 /nfs/dbraw/zinc/82/65/66/822826566.db2.gz HSNABZKPFYSNEJ-UHFFFAOYSA-N 1 0 398.528 4.267 20 0 GIADRO Cc1noc(C)c1COc1cccc(C(=O)N(CC(C)C)C2CC[NH+](C)CC2)c1 ZINC000053223134 822826688 /nfs/dbraw/zinc/82/66/88/822826688.db2.gz PODSNXDJIXYKEP-UHFFFAOYSA-N 1 0 399.535 4.063 20 0 GIADRO CC[NH+](CC)[C@@H](C(=O)NCCC[C@H]1CCOC1)c1cccc(C(F)(F)F)c1 ZINC000456742743 822828734 /nfs/dbraw/zinc/82/87/34/822828734.db2.gz KXNZSHHRSXJPKK-MAUKXSAKSA-N 1 0 386.458 4.021 20 0 GIADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)CCc2ncc(-c3ccccc3)o2)C1 ZINC000053302219 822829649 /nfs/dbraw/zinc/82/96/49/822829649.db2.gz PDNIJPANQLAVSJ-QZTJIDSGSA-N 1 0 383.536 4.147 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)CCc2cccs2)CC1 ZINC000456785180 822830655 /nfs/dbraw/zinc/83/06/55/822830655.db2.gz NNXPHKAIFGOTEP-UHFFFAOYSA-N 1 0 378.925 4.446 20 0 GIADRO CCCc1noc(CCCC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)n1 ZINC000053359840 822831594 /nfs/dbraw/zinc/83/15/94/822831594.db2.gz CMTQJLUERKGGSK-GOSISDBHSA-N 1 0 398.551 4.036 20 0 GIADRO COc1cccc(C[N@H+](CCC(=O)Nc2ccccc2C)C[C@H]2CCCO2)c1 ZINC000174753184 822832501 /nfs/dbraw/zinc/83/25/01/822832501.db2.gz LHRHHBHGYCPNII-OAQYLSRUSA-N 1 0 382.504 4.013 20 0 GIADRO C[N@@H+]1CC[C@H](CNC(=O)N2CCCC3(CC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000185910918 822832564 /nfs/dbraw/zinc/83/25/64/822832564.db2.gz CEVUOBNWUKRKBQ-QAPCUYQASA-N 1 0 379.907 4.058 20 0 GIADRO CC[C@@H]([NH2+]CCOc1cccc(C(=O)OC)c1)c1nc(C(F)(F)F)cs1 ZINC000185939954 822835364 /nfs/dbraw/zinc/83/53/64/822835364.db2.gz IZYHBEYFCRCYMI-CYBMUJFWSA-N 1 0 388.411 4.068 20 0 GIADRO CCc1nc(C)c([C@@H](C)N(C)C(=O)NCCC[N@H+](C)Cc2ccccc2)s1 ZINC000174783625 822836652 /nfs/dbraw/zinc/83/66/52/822836652.db2.gz GFSDEMXYTUXDIK-QGZVFWFLSA-N 1 0 388.581 4.238 20 0 GIADRO C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000185964966 822838503 /nfs/dbraw/zinc/83/85/03/822838503.db2.gz KWFDXJHFNXHBCB-HXUWFJFHSA-N 1 0 398.890 4.362 20 0 GIADRO Cc1csc([C@H](NC(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)C2CC2)n1 ZINC000174797959 822838518 /nfs/dbraw/zinc/83/85/18/822838518.db2.gz BYVVSLLIPWUVPV-LJQANCHMSA-N 1 0 398.576 4.039 20 0 GIADRO CN(Cc1ccccc1Cl)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000053523582 822838787 /nfs/dbraw/zinc/83/87/87/822838787.db2.gz GNSBIURBWSSNTM-GOSISDBHSA-N 1 0 375.900 4.302 20 0 GIADRO COc1ccc([C@@H](CNC(=O)N(C)Cc2ccsc2)[NH+]2CCCCC2)cc1 ZINC000053527634 822839115 /nfs/dbraw/zinc/83/91/15/822839115.db2.gz CZKSKKSLMUXCAB-HXUWFJFHSA-N 1 0 387.549 4.125 20 0 GIADRO C[C@H](NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000053535042 822839564 /nfs/dbraw/zinc/83/95/64/822839564.db2.gz SDOFKNXWAAIQNF-WMLDXEAASA-N 1 0 395.425 4.496 20 0 GIADRO CC[NH+](CC)CCN(C(=O)c1c(C)noc1C)c1cccc(C(F)(F)F)c1 ZINC000185990781 822841728 /nfs/dbraw/zinc/84/17/28/822841728.db2.gz DLSREHCOWJTBHD-UHFFFAOYSA-N 1 0 383.414 4.299 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)NCC2(Sc3ccccc3)CCCC2)CC[N@@H+]1C ZINC000174822487 822842102 /nfs/dbraw/zinc/84/21/02/822842102.db2.gz BBNUWFSYFBLBHX-QZTJIDSGSA-N 1 0 375.582 4.216 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)N(Cc1ccco1)Cc1cccs1)c1cccs1 ZINC000053602774 822842120 /nfs/dbraw/zinc/84/21/20/822842120.db2.gz BTKOBFHRVRJGKE-QGZVFWFLSA-N 1 0 389.546 4.417 20 0 GIADRO CC1CC[NH+](CCCNC(=O)N(Cc2ccco2)Cc2cccs2)CC1 ZINC000053602831 822842409 /nfs/dbraw/zinc/84/24/09/822842409.db2.gz JFKVMFKGZFHYGY-UHFFFAOYSA-N 1 0 375.538 4.175 20 0 GIADRO Cc1nc([C@@H]2CCCN2C(=O)NCc2ccccc2C[NH+]2CCCC2)cs1 ZINC000186008044 822843382 /nfs/dbraw/zinc/84/33/82/822843382.db2.gz MXOKGKHQIRTDBY-FQEVSTJZSA-N 1 0 384.549 4.094 20 0 GIADRO O=C(NCCc1nc2ccccc2s1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000053639076 822843488 /nfs/dbraw/zinc/84/34/88/822843488.db2.gz YEIWGLWHQQULQD-UHFFFAOYSA-N 1 0 379.529 4.255 20 0 GIADRO COc1ccccc1Oc1ccc(CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000174834628 822843699 /nfs/dbraw/zinc/84/36/99/822843699.db2.gz STSGJQSXNZRXTC-PKOBYXMFSA-N 1 0 397.519 4.112 20 0 GIADRO C[C@H](C(=O)Nc1cccnc1Cl)[N@H+](C)CCCOc1ccc(Cl)cc1 ZINC000053681460 822844718 /nfs/dbraw/zinc/84/47/18/822844718.db2.gz VOUKPFHEQHEVOQ-CYBMUJFWSA-N 1 0 382.291 4.116 20 0 GIADRO CCCOc1cccc(NC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000174848681 822846048 /nfs/dbraw/zinc/84/60/48/822846048.db2.gz LBSTZGCTWPLZBY-FQEVSTJZSA-N 1 0 381.520 4.461 20 0 GIADRO O=S1(=O)CCCN1c1ccc(C[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)cc1 ZINC000186038610 822846179 /nfs/dbraw/zinc/84/61/79/822846179.db2.gz NIXDAEKAWTZRBO-FQEVSTJZSA-N 1 0 390.936 4.121 20 0 GIADRO COc1ccc(COCC(=O)Nc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)cc1 ZINC000053722202 822846223 /nfs/dbraw/zinc/84/62/23/822846223.db2.gz IMSVQZDYOFLGCT-SFHVURJKSA-N 1 0 382.504 4.225 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cc(-c3cccnc3)on2)cc1 ZINC000053721965 822846232 /nfs/dbraw/zinc/84/62/32/822846232.db2.gz ZJFIHMSCNYCUJJ-MRXNPFEDSA-N 1 0 376.460 4.363 20 0 GIADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000186056586 822847828 /nfs/dbraw/zinc/84/78/28/822847828.db2.gz QKRBHPUBSRIPJQ-HNNXBMFYSA-N 1 0 378.822 4.091 20 0 GIADRO CC1(C)CCC[N@@H+]1CCNC(=O)CCC(=O)c1cc(Cl)sc1Cl ZINC000457052240 822848362 /nfs/dbraw/zinc/84/83/62/822848362.db2.gz IZBRQDOXDDCNQU-UHFFFAOYSA-N 1 0 377.337 4.008 20 0 GIADRO CC(=O)Nc1ccc(F)c(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)c1 ZINC000053811359 822849023 /nfs/dbraw/zinc/84/90/23/822849023.db2.gz LSENKOUMXDPYNO-INIZCTEOSA-N 1 0 397.494 4.089 20 0 GIADRO Cc1[nH]c2c(cccc2C(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)c1C ZINC000457062492 822849151 /nfs/dbraw/zinc/84/91/51/822849151.db2.gz APGFSQUHBJBVFS-UHFFFAOYSA-N 1 0 381.442 4.274 20 0 GIADRO CCc1ccc2occ(C(=O)N(C)C3CC[NH+](CCC(F)(F)F)CC3)c2c1 ZINC000457068536 822849719 /nfs/dbraw/zinc/84/97/19/822849719.db2.gz LRMQCNMGTDSAHG-UHFFFAOYSA-N 1 0 382.426 4.484 20 0 GIADRO CCc1c2ccccc2oc1C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457072597 822850111 /nfs/dbraw/zinc/85/01/11/822850111.db2.gz RPXRFGWHIMORKQ-UHFFFAOYSA-N 1 0 382.426 4.484 20 0 GIADRO Cc1ccccc1C1(C(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)CCC1 ZINC000457076191 822850351 /nfs/dbraw/zinc/85/03/51/822850351.db2.gz XMPNHNFFOOTAMP-UHFFFAOYSA-N 1 0 382.470 4.292 20 0 GIADRO CN(C(=O)[C@H]1C[C@H]1c1ccccc1Cl)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457075091 822850440 /nfs/dbraw/zinc/85/04/40/822850440.db2.gz WDNXZIAHRBYISS-HOTGVXAUSA-N 1 0 388.861 4.319 20 0 GIADRO CC[C@@H]1C[N@H+](CC(=O)Nc2cccc(NC(C)=O)c2)CC[C@@H]1c1ccccc1 ZINC000174886276 822850926 /nfs/dbraw/zinc/85/09/26/822850926.db2.gz FAXTXDJZACGHEX-GCJKJVERSA-N 1 0 379.504 4.099 20 0 GIADRO C[C@H]1CCc2c(C(=O)N(C)C3CC[NH+](CCC(F)(F)F)CC3)csc2C1 ZINC000457081882 822851071 /nfs/dbraw/zinc/85/10/71/822851071.db2.gz HYEGHHDKRPBKSL-ZDUSSCGKSA-N 1 0 388.499 4.362 20 0 GIADRO CCc1cccc2c(CC(=O)N(C)C3CC[NH+](CCC(F)(F)F)CC3)c[nH]c21 ZINC000457081884 822851139 /nfs/dbraw/zinc/85/11/39/822851139.db2.gz HYLGEVWVYAEBCL-UHFFFAOYSA-N 1 0 395.469 4.148 20 0 GIADRO CCCCN(C)c1ccc(C(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000457084485 822851439 /nfs/dbraw/zinc/85/14/39/822851439.db2.gz LESUOPVHINPSQM-UHFFFAOYSA-N 1 0 399.501 4.412 20 0 GIADRO CC(C)[C@H](Cc1ccccc1)C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457085123 822851500 /nfs/dbraw/zinc/85/15/00/822851500.db2.gz LZGOAUOBTGYFSE-IBGZPJMESA-N 1 0 384.486 4.377 20 0 GIADRO Cc1ccsc1CCCC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457085642 822851645 /nfs/dbraw/zinc/85/16/45/822851645.db2.gz MSUVVYLWBOSRKN-UHFFFAOYSA-N 1 0 376.488 4.254 20 0 GIADRO C[C@H](C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)c1ccc(Cl)s1 ZINC000457086771 822851803 /nfs/dbraw/zinc/85/18/03/822851803.db2.gz ORPPOXRSHXKLHY-NSHDSACASA-N 1 0 382.879 4.380 20 0 GIADRO CN(C(=O)C[C@@H]1CCc2ccccc2C1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457086769 822851847 /nfs/dbraw/zinc/85/18/47/822851847.db2.gz ORLVFLALJMBVDS-MRXNPFEDSA-N 1 0 382.470 4.057 20 0 GIADRO CC[C@H](Oc1ccccc1C)C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457087076 822851855 /nfs/dbraw/zinc/85/18/55/822851855.db2.gz PSUDBQBEEMGOLA-KRWDZBQOSA-N 1 0 386.458 4.028 20 0 GIADRO COc1ccc([C@@H](C)CC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000457089282 822852101 /nfs/dbraw/zinc/85/21/01/822852101.db2.gz SXVSTGLLPZOVBF-HNNXBMFYSA-N 1 0 386.458 4.064 20 0 GIADRO CSc1cc(C(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)ccc1F ZINC000457088566 822852141 /nfs/dbraw/zinc/85/21/41/822852141.db2.gz RWPYYIRYICVJAH-UHFFFAOYSA-N 1 0 378.435 4.036 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1cc(Br)ccc1O)c1cn(-c2ccccc2)nn1 ZINC000186112666 822852655 /nfs/dbraw/zinc/85/26/55/822852655.db2.gz UARBPJAUIHCJEH-CHWSQXEVSA-N 1 0 387.281 4.147 20 0 GIADRO CN(C(=O)CCSc1ccccc1F)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457093680 822852841 /nfs/dbraw/zinc/85/28/41/822852841.db2.gz YTNPIJGWKNOQDI-UHFFFAOYSA-N 1 0 392.462 4.183 20 0 GIADRO COc1ccc(CC[NH2+][C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000174901130 822852889 /nfs/dbraw/zinc/85/28/89/822852889.db2.gz KLLNJVHIJNFQPT-QHCPKHFHSA-N 1 0 395.524 4.020 20 0 GIADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)c2csc(-c3ccccc3F)n2)C1 ZINC000457095758 822853000 /nfs/dbraw/zinc/85/30/00/822853000.db2.gz QETGOXZLMSUVRJ-OAHLLOKOSA-N 1 0 389.540 4.168 20 0 GIADRO Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000457100553 822853283 /nfs/dbraw/zinc/85/32/83/822853283.db2.gz WSBXZQGFZHHNHF-MRXNPFEDSA-N 1 0 395.425 4.224 20 0 GIADRO CCc1onc(-c2ccccc2Cl)c1C(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000457101023 822853301 /nfs/dbraw/zinc/85/33/01/822853301.db2.gz XNTFVDJOLHELAZ-AWEZNQCLSA-N 1 0 375.900 4.112 20 0 GIADRO CC(C)(C)CCC(=O)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000457107863 822853636 /nfs/dbraw/zinc/85/36/36/822853636.db2.gz ARBIRGKGQBYGNR-UHFFFAOYSA-N 1 0 391.987 4.279 20 0 GIADRO CC1(C)CC(NC(=O)N2CCC[C@H]2c2nc3ccccc3s2)CC(C)(C)[NH2+]1 ZINC000053954860 822854243 /nfs/dbraw/zinc/85/42/43/822854243.db2.gz MEXWEJBIEGNHRI-INIZCTEOSA-N 1 0 386.565 4.452 20 0 GIADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C3CC3)nc3onc(CC(C)(C)C)c32)C1 ZINC000457113156 822854502 /nfs/dbraw/zinc/85/45/02/822854502.db2.gz JSBSYFNWBMBKCN-INIZCTEOSA-N 1 0 398.551 4.244 20 0 GIADRO Cc1oc2ccccc2c1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000186135598 822854548 /nfs/dbraw/zinc/85/45/48/822854548.db2.gz ZXHNODXTGQMHES-SFTDATJTSA-N 1 0 397.563 4.150 20 0 GIADRO C[NH+]1CCC(NC(=O)Nc2ccc(OC(F)F)c(Cc3ccccc3)c2)CC1 ZINC000053963376 822854662 /nfs/dbraw/zinc/85/46/62/822854662.db2.gz YUVWSCFPQIEUCO-UHFFFAOYSA-N 1 0 389.446 4.095 20 0 GIADRO Cc1nc(-c2c[nH]c(C(=O)NC3CC[NH+](Cc4ccccc4C)CC3)c2)cs1 ZINC000053968122 822854878 /nfs/dbraw/zinc/85/48/78/822854878.db2.gz QQNBWWFWBPKVRX-UHFFFAOYSA-N 1 0 394.544 4.149 20 0 GIADRO CC[C@@H](C)[C@H](C)C(=O)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000457124821 822855657 /nfs/dbraw/zinc/85/56/57/822855657.db2.gz XUGYZIHAUZUXRK-MSOLQXFVSA-N 1 0 391.987 4.135 20 0 GIADRO Cc1cc(O[C@@H](C)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)ccc1C(C)C ZINC000053991434 822856002 /nfs/dbraw/zinc/85/60/02/822856002.db2.gz UILVNBCUYRGABX-IBGZPJMESA-N 1 0 395.547 4.062 20 0 GIADRO Cc1ccc(-c2nc(C(=O)N(C)C[C@H]3CC[N@H+](Cc4ccccc4)C3)cs2)o1 ZINC000174919361 822856030 /nfs/dbraw/zinc/85/60/30/822856030.db2.gz AWFRTUXKEXSSEY-GOSISDBHSA-N 1 0 395.528 4.306 20 0 GIADRO Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000053991443 822856071 /nfs/dbraw/zinc/85/60/71/822856071.db2.gz XRJXTXQNQNSHJJ-LJQANCHMSA-N 1 0 395.547 4.062 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000054002580 822856652 /nfs/dbraw/zinc/85/66/52/822856652.db2.gz KGABBQOSOAPOSA-UHFFFAOYSA-N 1 0 383.492 4.011 20 0 GIADRO CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@H]2Nc1cc[nH+]cc1C(N)=O ZINC000186158583 822856714 /nfs/dbraw/zinc/85/67/14/822856714.db2.gz HDAYFNVANGIYQA-QGZVFWFLSA-N 1 0 382.464 4.017 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)/C=C/c1nc2ccccc2s1 ZINC000174924188 822856801 /nfs/dbraw/zinc/85/68/01/822856801.db2.gz BXQLJOXSXSARHD-TZZQJPOUSA-N 1 0 391.540 4.290 20 0 GIADRO COc1ccc(C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c2ccccc12 ZINC000174937791 822858305 /nfs/dbraw/zinc/85/83/05/822858305.db2.gz XMDYITCCMMQQGJ-HXUWFJFHSA-N 1 0 388.511 4.443 20 0 GIADRO C[N@H+](CCCCNC(=O)C1(c2cc(C(F)(F)F)ccc2Cl)CC1)C1CC1 ZINC000457167197 822858405 /nfs/dbraw/zinc/85/84/05/822858405.db2.gz LVYZBJNTDQQXSK-UHFFFAOYSA-N 1 0 388.861 4.381 20 0 GIADRO C[N@H+](CCCCNC(=O)c1cc(C(F)(F)F)ccc1Br)C1CC1 ZINC000457170527 822858722 /nfs/dbraw/zinc/85/87/22/822858722.db2.gz REYCYHMWJCGIPS-UHFFFAOYSA-N 1 0 393.247 4.072 20 0 GIADRO Cc1[nH]c2c(cccc2C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)c1C ZINC000054012373 822858942 /nfs/dbraw/zinc/85/89/42/822858942.db2.gz KQURLPAKRYNELI-UHFFFAOYSA-N 1 0 376.504 4.179 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1O)c1ccc(-n2ccnn2)cc1 ZINC000186183977 822858929 /nfs/dbraw/zinc/85/89/29/822858929.db2.gz VQEVALDNWVXKME-OLZOCXBDSA-N 1 0 387.281 4.147 20 0 GIADRO COc1ccc([C@H](NC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)C2CC2)cc1 ZINC000054020175 822859025 /nfs/dbraw/zinc/85/90/25/822859025.db2.gz UKBRSRLNHNIWDP-HSZRJFAPSA-N 1 0 393.531 4.064 20 0 GIADRO CN(Cc1ccc(C(=O)N2CCCC2)cc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000174946782 822859618 /nfs/dbraw/zinc/85/96/18/822859618.db2.gz RFFPCHBBIRRSRE-DEOSSOPVSA-N 1 0 391.559 4.019 20 0 GIADRO C[C@@H]1OCC[C@H]1C(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457193202 822859818 /nfs/dbraw/zinc/85/98/18/822859818.db2.gz GDKOPIUFXAJMQN-WWPVKYPJSA-N 1 0 384.564 4.095 20 0 GIADRO O=C(C[C@@H]1CCCO1)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457193319 822859840 /nfs/dbraw/zinc/85/98/40/822859840.db2.gz HKIVXPBPQPJILG-GOTSBHOMSA-N 1 0 384.564 4.239 20 0 GIADRO Cc1cc(-c2cc(C(=O)NCCCC[N@@H+](C)C3CC3)c3c(C)noc3n2)c(C)o1 ZINC000457194472 822859920 /nfs/dbraw/zinc/85/99/20/822859920.db2.gz FBJOEZUXXZMDHM-UHFFFAOYSA-N 1 0 396.491 4.012 20 0 GIADRO C[C@@H]1COCC[C@@H]1C(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457193802 822859953 /nfs/dbraw/zinc/85/99/53/822859953.db2.gz JGZLCXKFWYJMPL-QDSKXPNFSA-N 1 0 398.591 4.342 20 0 GIADRO COc1ccccc1[C@H](C)CC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174950362 822859982 /nfs/dbraw/zinc/85/99/82/822859982.db2.gz OPLHQPRPTSLYEA-CTNGQTDRSA-N 1 0 380.532 4.169 20 0 GIADRO CCn1cc(C(=O)N2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000457196144 822860168 /nfs/dbraw/zinc/86/01/68/822860168.db2.gz PXKFPRAQGXXCFD-QHCPKHFHSA-N 1 0 394.563 4.200 20 0 GIADRO Cc1noc(C)c1CSc1ccccc1C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000457201913 822860395 /nfs/dbraw/zinc/86/03/95/822860395.db2.gz MPFUSFGZZGDLSZ-UHFFFAOYSA-N 1 0 387.549 4.188 20 0 GIADRO C[N@H+](CCCCNC(=O)Cc1csc(-c2ccc(Cl)s2)n1)C1CC1 ZINC000457204906 822860591 /nfs/dbraw/zinc/86/05/91/822860591.db2.gz QBOBAUPLRQWREK-UHFFFAOYSA-N 1 0 383.970 4.058 20 0 GIADRO C[NH+](C)CC(C)(C)NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 ZINC000457209683 822860910 /nfs/dbraw/zinc/86/09/10/822860910.db2.gz CGNFLLYHFHZRSI-UHFFFAOYSA-N 1 0 384.307 4.037 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCc1c[nH]c2ccccc12 ZINC000174957796 822861144 /nfs/dbraw/zinc/86/11/44/822861144.db2.gz AWQIKESHOLGVKX-FQEVSTJZSA-N 1 0 375.516 4.081 20 0 GIADRO CCc1ccsc1C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000054078018 822861393 /nfs/dbraw/zinc/86/13/93/822861393.db2.gz GOWFLDPFOBUFBM-UHFFFAOYSA-N 1 0 385.533 4.377 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1ccc(F)c(Cl)c1F ZINC000186217890 822861820 /nfs/dbraw/zinc/86/18/20/822861820.db2.gz MLPWXBGWDKSAFL-UHFFFAOYSA-N 1 0 393.865 4.392 20 0 GIADRO COc1cc(C2(C(=O)N(C)C[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)ccc1C ZINC000174970806 822862770 /nfs/dbraw/zinc/86/27/70/822862770.db2.gz HSAYXKVZSITOMQ-NRFANRHFSA-N 1 0 392.543 4.016 20 0 GIADRO CC[C@H]([NH2+][C@@H]1CCC[C@H]([S@@](=O)CC)C1)c1cc(Br)ccc1O ZINC000186237932 822863802 /nfs/dbraw/zinc/86/38/02/822863802.db2.gz HFMRWHOTSIKMNY-WRMXOXQISA-N 1 0 388.371 4.275 20 0 GIADRO Cc1ccc(C[C@H](NC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c2ccccn2)cc1 ZINC000174999526 822865536 /nfs/dbraw/zinc/86/55/36/822865536.db2.gz GPIMGVHQPMVBQS-GMAHTHKFSA-N 1 0 394.563 4.190 20 0 GIADRO Cc1c(COc2ccccc2)cccc1NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000175000915 822865748 /nfs/dbraw/zinc/86/57/48/822865748.db2.gz VGEMRMMZBOUJII-FQEVSTJZSA-N 1 0 377.488 4.052 20 0 GIADRO CC(C)[C@H](C(=O)Nc1ccc2c(c1)CN(CC(F)(F)F)C2)[NH+]1CCCCC1 ZINC000457323347 822865796 /nfs/dbraw/zinc/86/57/96/822865796.db2.gz HLFBYTWHTYJVNR-GOSISDBHSA-N 1 0 383.458 4.014 20 0 GIADRO Cc1ccc(NC(=O)c2cc3c(s2)CCCCC3)cc1NC(=O)CC[NH+](C)C ZINC000186261417 822866502 /nfs/dbraw/zinc/86/65/02/822866502.db2.gz XQJDDVMHYONTSA-UHFFFAOYSA-N 1 0 399.560 4.468 20 0 GIADRO CC(C)c1ccccc1OC[C@@H](O)C[NH2+][C@@H](C)c1nccn1-c1ccccc1 ZINC000568977078 822866951 /nfs/dbraw/zinc/86/69/51/822866951.db2.gz MMJZUGPWYLJRFQ-ICSRJNTNSA-N 1 0 379.504 4.086 20 0 GIADRO Cc1ccc(NC(=O)C[C@@H](C)c2ccccc2F)cc1NC(=O)CC[NH+](C)C ZINC000186266513 822867203 /nfs/dbraw/zinc/86/72/03/822867203.db2.gz IAANPJKXGUBZMZ-MRXNPFEDSA-N 1 0 385.483 4.157 20 0 GIADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc(-c3ccc(Br)s3)s2)C1 ZINC000568982466 822867405 /nfs/dbraw/zinc/86/74/05/822867405.db2.gz AGNSTTQRIICDJH-MNOVXSKESA-N 1 0 399.379 4.439 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)c1cc2cc(Cl)sc2[nH]1 ZINC000568982626 822867448 /nfs/dbraw/zinc/86/74/48/822867448.db2.gz GHADYSJCKLREJS-UHFFFAOYSA-N 1 0 397.878 4.365 20 0 GIADRO C[C@H](c1cccc(O)c1)N(C)C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000186268375 822867523 /nfs/dbraw/zinc/86/75/23/822867523.db2.gz KGEYYBRHGUMPQU-VGSWGCGISA-N 1 0 381.520 4.005 20 0 GIADRO CC(C)c1ccccc1OC[C@H](O)C[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000568991859 822867919 /nfs/dbraw/zinc/86/79/19/822867919.db2.gz SHRUNYMEGHPGLC-CTWPCTMYSA-N 1 0 391.552 4.040 20 0 GIADRO Cc1ccc(NC(=O)C[C@@H](C)c2ccccc2C)cc1NC(=O)CC[NH+](C)C ZINC000186270256 822867947 /nfs/dbraw/zinc/86/79/47/822867947.db2.gz AZKJURWTZJXEJQ-GOSISDBHSA-N 1 0 381.520 4.326 20 0 GIADRO COc1ccc([C@@H](C)CC(=O)Nc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)cc1 ZINC000186272659 822868139 /nfs/dbraw/zinc/86/81/39/822868139.db2.gz JLIYEIJDUGCXML-KRWDZBQOSA-N 1 0 397.519 4.026 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000054203725 822868237 /nfs/dbraw/zinc/86/82/37/822868237.db2.gz FYAFUNYASRXFBG-OAHLLOKOSA-N 1 0 391.446 4.028 20 0 GIADRO Cc1cn(-c2ccccc2)nc1C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000186275072 822868499 /nfs/dbraw/zinc/86/84/99/822868499.db2.gz SUBUAMTVFHSPLE-TZIWHRDSSA-N 1 0 394.906 4.009 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)C[C@H]2CCOc3ccccc32)CC1 ZINC000175022007 822869045 /nfs/dbraw/zinc/86/90/45/822869045.db2.gz YHTIMLUPRPUQDO-HXUWFJFHSA-N 1 0 378.516 4.066 20 0 GIADRO CCCC[N@H+](C)CC1CCN(Cc2nnc(-c3ccc(Cl)cc3)n2C)CC1 ZINC000186282200 822869882 /nfs/dbraw/zinc/86/98/82/822869882.db2.gz JYIVWKNXPMZPLB-UHFFFAOYSA-N 1 0 389.975 4.079 20 0 GIADRO Cc1nn(Cc2ccccc2Cl)c(C)c1CN1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000569014689 822869948 /nfs/dbraw/zinc/86/99/48/822869948.db2.gz LNNIVUZADOFASW-JOCHJYFZSA-N 1 0 386.971 4.119 20 0 GIADRO Cc1ccc2c(CC(=O)N(Cc3ccccc3)C3CC[NH+](C)CC3)c[nH]c2c1 ZINC000175026463 822870234 /nfs/dbraw/zinc/87/02/34/822870234.db2.gz CTJZMIZNWGPNHX-UHFFFAOYSA-N 1 0 375.516 4.142 20 0 GIADRO CC1(C)C(=O)N[C@H]1C1CC[NH+](Cc2ccc(OCc3ccc(F)cc3)cc2)CC1 ZINC000569017793 822870299 /nfs/dbraw/zinc/87/02/99/822870299.db2.gz QJEJHUXZRGNVAZ-QFIPXVFZSA-N 1 0 396.506 4.141 20 0 GIADRO C[C@H]1CCN(C(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)[C@@H](C)[C@H]1[NH3+] ZINC000457363511 822870587 /nfs/dbraw/zinc/87/05/87/822870587.db2.gz LOOQAPRVXSDPPQ-DINDLPBHSA-N 1 0 398.359 4.244 20 0 GIADRO Cc1ccc(-c2nc(C)c(C(=O)N3CC[C@@H](c4ccc(F)cc4)[C@@H]([NH3+])C3)s2)o1 ZINC000457369729 822870900 /nfs/dbraw/zinc/87/09/00/822870900.db2.gz MVROBFIIIVEGOC-IRXDYDNUSA-N 1 0 399.491 4.116 20 0 GIADRO [NH3+][C@@H]1CN(C(=O)C[C@H](c2ccccc2)C(F)(F)F)CC[C@H]1c1ccc(F)cc1 ZINC000457370438 822870950 /nfs/dbraw/zinc/87/09/50/822870950.db2.gz OFSKCVCXQFCLHP-IPMKNSEASA-N 1 0 394.412 4.205 20 0 GIADRO Cc1ccc(-c2nc(C)c(C(=O)N3CC[C@H](c4ccc(F)cc4)[C@H]([NH3+])C3)s2)o1 ZINC000457369725 822870968 /nfs/dbraw/zinc/87/09/68/822870968.db2.gz MVROBFIIIVEGOC-IAGOWNOFSA-N 1 0 399.491 4.116 20 0 GIADRO Cc1cccc(OCCCCC(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)c1 ZINC000457374515 822871130 /nfs/dbraw/zinc/87/11/30/822871130.db2.gz WTKRBBYMDMHULX-FCHUYYIVSA-N 1 0 384.495 4.027 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc(SC)c2)c(C)c1OC ZINC000569034264 822871600 /nfs/dbraw/zinc/87/16/00/822871600.db2.gz KSLGBRUXVSAHLN-GJZGRUSLSA-N 1 0 388.533 4.412 20 0 GIADRO [NH3+][C@H]1CN(C(=O)CCc2ccc(-c3ccccc3)[nH]2)CC[C@H]1c1ccc(F)cc1 ZINC000457386898 822871989 /nfs/dbraw/zinc/87/19/89/822871989.db2.gz UHDOZERGBDALIR-VXKWHMMOSA-N 1 0 391.490 4.097 20 0 GIADRO COc1ccc([C@@H]2CCN(C(=O)c3csc4ccccc43)C[C@H]2[NH3+])cc1F ZINC000457389965 822872167 /nfs/dbraw/zinc/87/21/67/822872167.db2.gz WGZMWMFEJQXFLB-KBXCAEBGSA-N 1 0 384.476 4.006 20 0 GIADRO O=c1[nH]c(CC[N@H+]2CCC[C@H]2c2cccc(Br)c2)nc2ccccc21 ZINC000054271550 822872222 /nfs/dbraw/zinc/87/22/22/822872222.db2.gz ZWDDBRCRNXEMQQ-SFHVURJKSA-N 1 0 398.304 4.065 20 0 GIADRO Cc1cc(C[NH3+])cc(NC(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)c1 ZINC000457388144 822872218 /nfs/dbraw/zinc/87/22/18/822872218.db2.gz YJJXPDQVTDGSLP-UHFFFAOYSA-N 1 0 378.476 4.198 20 0 GIADRO Cc1nc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c(-c2ccccc2)o1 ZINC000569040950 822872302 /nfs/dbraw/zinc/87/23/02/822872302.db2.gz IGFIBYOSBLZVRH-JXFKEZNVSA-N 1 0 375.472 4.043 20 0 GIADRO CC[NH+]1CCN(c2ccc(-c3noc(CC[C@@H](C)c4ccccc4)n3)cn2)CC1 ZINC000569045892 822872888 /nfs/dbraw/zinc/87/28/88/822872888.db2.gz PNRUZJZJABIDNB-GOSISDBHSA-N 1 0 391.519 4.010 20 0 GIADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cccc(NC(=O)c3cccs3)c2)C1 ZINC000054286837 822873437 /nfs/dbraw/zinc/87/34/37/822873437.db2.gz SFXZSEPSDFANSZ-INIZCTEOSA-N 1 0 399.560 4.241 20 0 GIADRO O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000186304640 822873690 /nfs/dbraw/zinc/87/36/90/822873690.db2.gz JSGJVJKSSHPWQP-LBPRGKRZSA-N 1 0 375.822 4.308 20 0 GIADRO CCC[C@H]1CCCCN1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1OCC ZINC000186304636 822873698 /nfs/dbraw/zinc/87/36/98/822873698.db2.gz YIOVYQKIAGAFRL-SFHVURJKSA-N 1 0 388.556 4.024 20 0 GIADRO CCN(C(=O)c1ccc(N2CCC(C)=N2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186312532 822874721 /nfs/dbraw/zinc/87/47/21/822874721.db2.gz MQAWPSOSFNXZDR-HSZRJFAPSA-N 1 0 390.531 4.009 20 0 GIADRO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@H+](CCCc1cnn(C)c1)CC2 ZINC000054316468 822875803 /nfs/dbraw/zinc/87/58/03/822875803.db2.gz GLWDRNVKOSJOGE-DEOSSOPVSA-N 1 0 391.515 4.018 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000457451589 822876079 /nfs/dbraw/zinc/87/60/79/822876079.db2.gz RALPNUCLZRYYEC-FXAWDEMLSA-N 1 0 383.492 4.336 20 0 GIADRO COc1ccc(OCc2ccccn2)c(C[NH2+]C[C@H]2CCCO[C@H]2C(C)C)c1 ZINC000175063221 822876285 /nfs/dbraw/zinc/87/62/85/822876285.db2.gz LUZZWPOMQMSYPX-JPYJTQIMSA-N 1 0 384.520 4.210 20 0 GIADRO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](Cc2csc(-c3ccccc3OC)n2)C1 ZINC000569068189 822876318 /nfs/dbraw/zinc/87/63/18/822876318.db2.gz IGKXFGJOXCZLIB-NRFANRHFSA-N 1 0 388.533 4.230 20 0 GIADRO C[N@@H+]1CCN(CC(=O)Nc2ccccc2-c2ccccc2)C2(CCCCC2)C1 ZINC000175067562 822876836 /nfs/dbraw/zinc/87/68/36/822876836.db2.gz WLRRVXXRJFTBJC-UHFFFAOYSA-N 1 0 377.532 4.242 20 0 GIADRO CCN(C(=O)c1cnc2onc(C(C)C)c2c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186332178 822877234 /nfs/dbraw/zinc/87/72/34/822877234.db2.gz BLFNAKDDWBAFSV-LJQANCHMSA-N 1 0 392.503 4.083 20 0 GIADRO C[C@H](CC(F)(F)F)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000457466430 822877764 /nfs/dbraw/zinc/87/77/64/822877764.db2.gz SHCZRCOELRSGLB-CQSZACIVSA-N 1 0 385.430 4.028 20 0 GIADRO COc1cc([C@@H](C)[NH2+]C2CCC(O)(c3cccnc3)CC2)ccc1OC(F)F ZINC000186335711 822877820 /nfs/dbraw/zinc/87/78/20/822877820.db2.gz XHIJEQHNRMWYJP-OKSICCMJSA-N 1 0 392.446 4.173 20 0 GIADRO O=C(CC[NH+]1CCC(Nc2ccccn2)CC1)Nc1cc(Cl)ccc1Cl ZINC000569079252 822877909 /nfs/dbraw/zinc/87/79/09/822877909.db2.gz WVSMEWPNMMNSTO-UHFFFAOYSA-N 1 0 393.318 4.294 20 0 GIADRO CC(C)(Cc1ccc(Cl)cc1)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000457475123 822878874 /nfs/dbraw/zinc/87/88/74/822878874.db2.gz ZTNOWPDYVQYLFM-UHFFFAOYSA-N 1 0 385.939 4.085 20 0 GIADRO C[C@@H](Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1)c1ccc2ccccc2c1O ZINC000186349988 822879935 /nfs/dbraw/zinc/87/99/35/822879935.db2.gz CYXLXODHIDXLEU-OPAMFIHVSA-N 1 0 389.499 4.168 20 0 GIADRO CC(C)C(=O)Nc1ccc(NC(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc1 ZINC000054384440 822880191 /nfs/dbraw/zinc/88/01/91/822880191.db2.gz SLZPLLIUMGXNNB-UWJYYQICSA-N 1 0 394.519 4.238 20 0 GIADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cnn(C2CCCC2)c1-c1ccccc1 ZINC000569107502 822880460 /nfs/dbraw/zinc/88/04/60/822880460.db2.gz YRVCWMSKDGBACZ-GOSISDBHSA-N 1 0 394.563 4.468 20 0 GIADRO CN(c1ccc(NCc2ccc3c(c2)COC(C)(C)O3)cc1)C1CC[NH+](C)CC1 ZINC000186352734 822880449 /nfs/dbraw/zinc/88/04/49/822880449.db2.gz IBFYHDLIPJQVGC-UHFFFAOYSA-N 1 0 395.547 4.474 20 0 GIADRO C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000457489387 822880955 /nfs/dbraw/zinc/88/09/55/822880955.db2.gz LFQKVSVVSZSIQY-QLFBSQMISA-N 1 0 389.487 4.257 20 0 GIADRO Cc1ccc([C@H]([NH2+][C@@H]2CCC[C@H](F)C2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000569120489 822881226 /nfs/dbraw/zinc/88/12/26/822881226.db2.gz WZCNJUBYJGMVAX-ZVDOUQERSA-N 1 0 375.509 4.358 20 0 GIADRO COc1ccc([C@@H](C[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)N2CCCC2)cc1 ZINC000186357638 822881449 /nfs/dbraw/zinc/88/14/49/822881449.db2.gz VBJGIYROWDBOKP-JOCHJYFZSA-N 1 0 396.531 4.267 20 0 GIADRO Cc1ccc(CN(C)C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000054393612 822881649 /nfs/dbraw/zinc/88/16/49/822881649.db2.gz BBALOYZSAXTUIN-UHFFFAOYSA-N 1 0 385.939 4.454 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)NCCc2nc3ccccc3s2)cc1 ZINC000054396582 822881765 /nfs/dbraw/zinc/88/17/65/822881765.db2.gz PTQICVPCOLPTPU-UHFFFAOYSA-N 1 0 396.560 4.180 20 0 GIADRO c1ccc(COCCC2(C[NH2+]C3CCN(Cc4cccnc4)CC3)CC2)cc1 ZINC000186367682 822882920 /nfs/dbraw/zinc/88/29/20/822882920.db2.gz WMVBMHFUZJPYMG-UHFFFAOYSA-N 1 0 379.548 4.023 20 0 GIADRO C[C@H](CN1CCC(C)CC1)[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000569140254 822883074 /nfs/dbraw/zinc/88/30/74/822883074.db2.gz HINNWXGRYZWMQR-LJQANCHMSA-N 1 0 381.568 4.270 20 0 GIADRO CC(C)[C@H](NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)c1ccccc1 ZINC000457504978 822883182 /nfs/dbraw/zinc/88/31/82/822883182.db2.gz BGZZPXZRWQGAJO-SFHVURJKSA-N 1 0 385.474 4.442 20 0 GIADRO C[C@H]([NH2+]Cc1ccc2c(c1)COC(C)(C)O2)c1cccc(N2CCCC2=O)c1 ZINC000186371050 822883281 /nfs/dbraw/zinc/88/32/81/822883281.db2.gz CFHSXRUTFRUIJA-INIZCTEOSA-N 1 0 380.488 4.309 20 0 GIADRO COc1ccc(C2(C[NH2+]Cc3ccc4c(c3)COC(C)(C)O4)CCOCC2)cc1 ZINC000186370369 822883369 /nfs/dbraw/zinc/88/33/69/822883369.db2.gz PRRVWQBPNKAUCK-UHFFFAOYSA-N 1 0 397.515 4.178 20 0 GIADRO COc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1c(C)nn(-c2ccccn2)c1C ZINC000569142175 822883495 /nfs/dbraw/zinc/88/34/95/822883495.db2.gz DWXJWVZZFBIZAS-FQEVSTJZSA-N 1 0 376.504 4.100 20 0 GIADRO Cc1cnccc1CNC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000186374088 822883915 /nfs/dbraw/zinc/88/39/15/822883915.db2.gz AZEDGHDIXIXARP-UHFFFAOYSA-N 1 0 380.536 4.154 20 0 GIADRO COc1ccc(C[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)cc1Br ZINC000186374052 822884024 /nfs/dbraw/zinc/88/40/24/822884024.db2.gz QULSIXYVXKNAST-UHFFFAOYSA-N 1 0 392.293 4.393 20 0 GIADRO CN(C)CC(=O)Nc1ccc(NC(=O)C2(Sc3ccccc3)CCCC2)cc1 ZINC000175110336 822884254 /nfs/dbraw/zinc/88/42/54/822884254.db2.gz PYSMOSTYZTVHDE-UHFFFAOYSA-N 1 0 397.544 4.230 20 0 GIADRO COc1ccccc1NC(=O)c1ccc(NC(=O)CC[N@H+](C)C2CCCC2)cc1 ZINC000054429115 822884460 /nfs/dbraw/zinc/88/44/60/822884460.db2.gz DYYDDOLEJDBSPS-UHFFFAOYSA-N 1 0 395.503 4.151 20 0 GIADRO Cc1ccccc1CN(C)C(=O)[C@H](C)[NH2+][C@H](C)c1cccc(N2CCCC2)c1 ZINC000569152481 822884524 /nfs/dbraw/zinc/88/45/24/822884524.db2.gz AMRVKCUTAHBSFF-UXHICEINSA-N 1 0 379.548 4.293 20 0 GIADRO CC(C)(C)OC(=O)N1CC[C@@H](CC[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000186380484 822885153 /nfs/dbraw/zinc/88/51/53/822885153.db2.gz HWLBOZRRUPKMMC-MRXNPFEDSA-N 1 0 390.524 4.068 20 0 GIADRO Cc1ccncc1CCCN1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000569155615 822885489 /nfs/dbraw/zinc/88/54/89/822885489.db2.gz JDHJFFBHMQICGE-IBGZPJMESA-N 1 0 380.410 4.295 20 0 GIADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2ccc(Oc3cccc(F)c3)cn2)C1 ZINC000457531956 822886796 /nfs/dbraw/zinc/88/67/96/822886796.db2.gz WWBYJXNDXGTOCF-LMMKCTJWSA-N 1 0 397.494 4.490 20 0 GIADRO CCOCCOc1cc(C)ccc1C[NH2+]Cc1ccc2c(c1)COC(C)(C)O2 ZINC000186397735 822887778 /nfs/dbraw/zinc/88/77/78/822887778.db2.gz QMJUUHJCWNBNBV-UHFFFAOYSA-N 1 0 385.504 4.345 20 0 GIADRO C[C@H](Nc1ccc(N2CC[NH+](C)CC2)cc1)c1ccc(Br)cc1O ZINC000186401528 822888437 /nfs/dbraw/zinc/88/84/37/822888437.db2.gz USWJZUGNGPPJQU-AWEZNQCLSA-N 1 0 390.325 4.080 20 0 GIADRO C[NH+]1CCN(c2ccc(NC(=O)C3CC(C(C)(C)C)C3)c(C(F)(F)F)c2)CC1 ZINC000457554579 822890411 /nfs/dbraw/zinc/89/04/11/822890411.db2.gz OTQIXKYPSDMELN-UHFFFAOYSA-N 1 0 397.485 4.468 20 0 GIADRO C[C@H]1CN(C(=O)N[C@H]2CCSc3ccc(Cl)cc32)CC[N@@H+](C2CC2)C1 ZINC000457557731 822890542 /nfs/dbraw/zinc/89/05/42/822890542.db2.gz SQGJMMMIPHUDHB-DYVFJYSZSA-N 1 0 379.957 4.003 20 0 GIADRO C[C@@H]1CN(C(=O)N[C@H]2CCSc3ccc(Cl)cc32)CC[N@@H+](C2CC2)C1 ZINC000457557733 822890636 /nfs/dbraw/zinc/89/06/36/822890636.db2.gz SQGJMMMIPHUDHB-GUYCJALGSA-N 1 0 379.957 4.003 20 0 GIADRO Cc1ccccc1C(=O)NC1CC[NH+](Cc2cc(C(C)(C)C)cc(O)c2O)CC1 ZINC000054491621 822890675 /nfs/dbraw/zinc/89/06/75/822890675.db2.gz AVDBCJIDSRHMIB-UHFFFAOYSA-N 1 0 396.531 4.098 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CCc2cn(C)c3cc(F)ccc23)cc1NC(C)=O ZINC000186414384 822890615 /nfs/dbraw/zinc/89/06/15/822890615.db2.gz ZPBVMVMVKQWJEE-CQSZACIVSA-N 1 0 383.467 4.178 20 0 GIADRO CC(C)c1nn(C)c2sc(C(=O)N3C[C@H]4CCC[N@@H+]4Cc4ccccc43)cc12 ZINC000175145565 822891444 /nfs/dbraw/zinc/89/14/44/822891444.db2.gz VXTSBQQCDIIRSH-MRXNPFEDSA-N 1 0 394.544 4.383 20 0 GIADRO Cc1cc(Br)cc(C[NH2+]C(C)(C)c2nc3ccccc3n2C)c1O ZINC000186426232 822892858 /nfs/dbraw/zinc/89/28/58/822892858.db2.gz OEEFNIMJALWZGP-UHFFFAOYSA-N 1 0 388.309 4.375 20 0 GIADRO COc1ccc2cc(C(=O)Nc3ccc(C)cc3OCC[NH+](C)C)c(C)nc2c1 ZINC000457582944 822894394 /nfs/dbraw/zinc/89/43/94/822894394.db2.gz RQFRAPRHNBZXGU-UHFFFAOYSA-N 1 0 393.487 4.053 20 0 GIADRO S=c1oc(-c2ccc3ccccc3c2)nn1CN1CC[NH+](CC2CC2)CC1 ZINC000054551393 822895080 /nfs/dbraw/zinc/89/50/80/822895080.db2.gz TUAFBWVOVCZLID-UHFFFAOYSA-N 1 0 380.517 4.011 20 0 GIADRO COc1ccc(-c2ccc(C(=O)N3CCC([C@H]4[NH2+]CC4(C)C)CC3)c(F)c2)cc1 ZINC000569240657 822895671 /nfs/dbraw/zinc/89/56/71/822895671.db2.gz XZSCIKLWAVPHGS-JOCHJYFZSA-N 1 0 396.506 4.352 20 0 GIADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 ZINC000569242821 822895710 /nfs/dbraw/zinc/89/57/10/822895710.db2.gz AVGJVRCXLWJYEB-GHMZBOCLSA-N 1 0 386.443 4.000 20 0 GIADRO CN(C(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457594085 822895768 /nfs/dbraw/zinc/89/57/68/822895768.db2.gz ZZVMFQRYLKZMLB-GVDBMIGSSA-N 1 0 389.506 4.404 20 0 GIADRO Cn1cccc1[C@@H]1CCCCN1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000175166821 822896371 /nfs/dbraw/zinc/89/63/71/822896371.db2.gz TZHKRUVLGJHETP-PMACEKPBSA-N 1 0 384.524 4.082 20 0 GIADRO CC[C@@H](C)[NH2+][C@H](CNC(=O)Nc1ccc2oc(C(=O)OC)cc2c1)c1ccco1 ZINC000569249653 822896344 /nfs/dbraw/zinc/89/63/44/822896344.db2.gz IGQHUAIZNBXUCD-CZUORRHYSA-N 1 0 399.447 4.063 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)[C@]2(C)CCCCO2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000457609180 822897018 /nfs/dbraw/zinc/89/70/18/822897018.db2.gz XUGLLLXHHQKWMW-POAQFYNOSA-N 1 0 398.469 4.164 20 0 GIADRO O=C(Nc1cccc(OCC(F)(F)F)c1)NC1CC[NH+](C2CCCC2)CC1 ZINC000175174180 822897387 /nfs/dbraw/zinc/89/73/87/822897387.db2.gz BPXQRGINARKOCQ-UHFFFAOYSA-N 1 0 385.430 4.156 20 0 GIADRO Cc1oc2ccc(NC(=O)NC3CC[NH+](Cc4ccncc4)CC3)cc2c1C ZINC000186453466 822898128 /nfs/dbraw/zinc/89/81/28/822898128.db2.gz HZBMGGIHOTTYSD-UHFFFAOYSA-N 1 0 378.476 4.231 20 0 GIADRO O=C(CCSc1cccc(Cl)c1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000569263996 822898149 /nfs/dbraw/zinc/89/81/49/822898149.db2.gz TWEOCXPSVJCEEC-KRWDZBQOSA-N 1 0 378.925 4.369 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)N1CCCC2(C1)CCCCCC2 ZINC000175177616 822898234 /nfs/dbraw/zinc/89/82/34/822898234.db2.gz MKTILZFSWZEPEH-UHFFFAOYSA-N 1 0 384.568 4.192 20 0 GIADRO CC(C)(C)c1nc(CC[NH2+]Cc2c(Cl)cccc2N2CCOCC2)cs1 ZINC000569264836 822898367 /nfs/dbraw/zinc/89/83/67/822898367.db2.gz LFYJVSIAAGEHRC-UHFFFAOYSA-N 1 0 393.984 4.263 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+]C2(c3cccc(Br)c3)CC2)C12CCOCC2 ZINC000186461648 822899292 /nfs/dbraw/zinc/89/92/92/822899292.db2.gz LEMODWFZPPBJRG-DLBZAZTESA-N 1 0 380.326 4.002 20 0 GIADRO CC(C)[C@H]1N(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC12CCCCC2 ZINC000457635961 822899393 /nfs/dbraw/zinc/89/93/93/822899393.db2.gz JPFGRAAKALGIDF-OAQYLSRUSA-N 1 0 384.568 4.046 20 0 GIADRO CCOC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2sc(-c3ccccc3F)nc2C)C1 ZINC000186463918 822899488 /nfs/dbraw/zinc/89/94/88/822899488.db2.gz PZISPMMNOFKKMI-GXTWGEPZSA-N 1 0 377.485 4.139 20 0 GIADRO CN(Cc1cc2ccccc2o1)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000175182611 822899616 /nfs/dbraw/zinc/89/96/16/822899616.db2.gz JTVMRIMNMOTIBD-GOSISDBHSA-N 1 0 383.517 4.473 20 0 GIADRO Cn1c(C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)nnc1-c1ccc(Cl)cc1 ZINC000186465173 822899779 /nfs/dbraw/zinc/89/97/79/822899779.db2.gz QWGPDQGUQNTERR-OXQOHEQNSA-N 1 0 396.922 4.393 20 0 GIADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)NCCc1ccc(F)cc1F ZINC000569275721 822899880 /nfs/dbraw/zinc/89/98/80/822899880.db2.gz VDYQQFQBMNNNPK-UHFFFAOYSA-N 1 0 395.519 4.122 20 0 GIADRO Cc1cccc(CN(C)C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)n1 ZINC000457641141 822900156 /nfs/dbraw/zinc/90/01/56/822900156.db2.gz CQOFTUWHOQOHRS-LJQANCHMSA-N 1 0 380.536 4.106 20 0 GIADRO C[C@H](NC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1)c1cncc(F)c1 ZINC000457642393 822900166 /nfs/dbraw/zinc/90/01/66/822900166.db2.gz FBGWFRWWSNPIGJ-KRWDZBQOSA-N 1 0 384.499 4.013 20 0 GIADRO Cc1ccc(SC[C@H](C)[NH2+][C@@H](C)c2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000186471216 822900558 /nfs/dbraw/zinc/90/05/58/822900558.db2.gz YBVRVMBKBZVJJG-HOTGVXAUSA-N 1 0 378.563 4.198 20 0 GIADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc(Oc4cccc(Cl)c4)cn3)CC[C@H]21 ZINC000457645543 822900748 /nfs/dbraw/zinc/90/07/48/822900748.db2.gz FWKVBNWTCYQZBG-MGPUTAFESA-N 1 0 385.895 4.084 20 0 GIADRO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)[C@H](C)CC(F)(F)F ZINC000457652730 822901748 /nfs/dbraw/zinc/90/17/48/822901748.db2.gz AUJUJBTZGXPVSY-PBHICJAKSA-N 1 0 394.441 4.166 20 0 GIADRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)[C@@H]1C[C@@]1(C)C(C)C ZINC000186478147 822901806 /nfs/dbraw/zinc/90/18/06/822901806.db2.gz ILPIEOLTDSBHBC-QTEQDKRBSA-N 1 0 380.536 4.259 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2cccnc2C(F)(F)F)[C@H]1c1ccccc1 ZINC000569286623 822901750 /nfs/dbraw/zinc/90/17/50/822901750.db2.gz BKOIGCBZCDPLGC-NVXWUHKLSA-N 1 0 392.425 4.305 20 0 GIADRO Brc1scnc1-c1nc(-c2cccc(C[NH+]3CCCC3)c2)no1 ZINC000569289046 822902105 /nfs/dbraw/zinc/90/21/05/822902105.db2.gz HQCDKKVBUHAIRV-UHFFFAOYSA-N 1 0 391.294 4.218 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCc1cc2ccccc2o1 ZINC000175200383 822902840 /nfs/dbraw/zinc/90/28/40/822902840.db2.gz OTMVHDMBTBAOST-FQEVSTJZSA-N 1 0 391.515 4.139 20 0 GIADRO CN(Cc1cc2ccccc2o1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000175210609 822904859 /nfs/dbraw/zinc/90/48/59/822904859.db2.gz BJJVSUDBWKJSSL-UHFFFAOYSA-N 1 0 377.488 4.370 20 0 GIADRO Cn1cccc1[C@H]1CCCCN1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000175210648 822904866 /nfs/dbraw/zinc/90/48/66/822904866.db2.gz PIBMSVFSJIAZAY-JOCHJYFZSA-N 1 0 380.536 4.058 20 0 GIADRO CCc1cc2oc(=O)cc(C[N@@H+]3CCC[C@H](c4nc(C)no4)C3)c2cc1Cl ZINC000054676994 822904912 /nfs/dbraw/zinc/90/49/12/822904912.db2.gz KQPLRFUKKCLLPH-AWEZNQCLSA-N 1 0 387.867 4.080 20 0 GIADRO C[C@@H]1CC[C@@H](CCC(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)O1 ZINC000175211618 822905372 /nfs/dbraw/zinc/90/53/72/822905372.db2.gz ZZOJTJZDRBPRPS-GCJKJVERSA-N 1 0 380.532 4.379 20 0 GIADRO CC1CC[NH+](C2CCC(NC(=O)COCc3cccc(Cl)c3)CC2)CC1 ZINC000457680902 822905850 /nfs/dbraw/zinc/90/58/50/822905850.db2.gz WGGRCCFANSOPLS-UHFFFAOYSA-N 1 0 378.944 4.016 20 0 GIADRO CCCOC[C@H](Cc1cccc(Br)c1)[NH2+][C@H](C)c1c[nH]nc1C ZINC000186503652 822905831 /nfs/dbraw/zinc/90/58/31/822905831.db2.gz MNTOQDWVBXFSFX-DYVFJYSZSA-N 1 0 380.330 4.169 20 0 GIADRO CC(C)c1nccn1Cc1cccc(NC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000175216430 822906526 /nfs/dbraw/zinc/90/65/26/822906526.db2.gz QOXRSNJDLPPAQR-NRFANRHFSA-N 1 0 397.567 4.393 20 0 GIADRO O=C(CC1CCCC1)NC1CCN(Cc2ncc(-c3cccc(F)c3)o2)CC1 ZINC000175218335 822907156 /nfs/dbraw/zinc/90/71/56/822907156.db2.gz IKXHLZGOKZEMRW-UHFFFAOYSA-N 1 0 385.483 4.142 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCc2coc(-c3cccs3)n2)C1 ZINC000054717792 822907317 /nfs/dbraw/zinc/90/73/17/822907317.db2.gz RITOGFYRBKLSDV-WBVHZDCISA-N 1 0 396.516 4.038 20 0 GIADRO C[C@H](CCNC(=O)NCc1coc(-c2cccs2)n1)[N@H+](C)Cc1ccccc1 ZINC000175219117 822907404 /nfs/dbraw/zinc/90/74/04/822907404.db2.gz FMRSTOFQKVWSFV-MRXNPFEDSA-N 1 0 398.532 4.113 20 0 GIADRO O=C(N1CCC([NH+]2CCCC2)CC1)C1(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000186517851 822907535 /nfs/dbraw/zinc/90/75/35/822907535.db2.gz JSVBPYROSGGCHS-UHFFFAOYSA-N 1 0 380.454 4.115 20 0 GIADRO COc1ccccc1-c1ccc([C@H](C)NC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000569333942 822908728 /nfs/dbraw/zinc/90/87/28/822908728.db2.gz IOFKJXCYBPSZSR-NTSGDEEZSA-N 1 0 393.531 4.192 20 0 GIADRO O=C(NCC1=CC[NH2+]CC1)N[C@H](c1ccccc1)c1cc(Cl)ccc1Cl ZINC000569334378 822908978 /nfs/dbraw/zinc/90/89/78/822908978.db2.gz HTDIKWLJEVKZMK-LJQANCHMSA-N 1 0 390.314 4.302 20 0 GIADRO C[C@@H](CNC(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1)[N@H+](C)C1CC1 ZINC000186534988 822910009 /nfs/dbraw/zinc/91/00/09/822910009.db2.gz OQEWFIDDAFMYOX-LBPRGKRZSA-N 1 0 382.382 4.058 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)c2cc(Br)ccc2Cl)CC1 ZINC000054758974 822910576 /nfs/dbraw/zinc/91/05/76/822910576.db2.gz RPCINLKAIIECKC-UHFFFAOYSA-N 1 0 387.749 4.295 20 0 GIADRO C[N@H+](CCNC(=O)N[C@@H](CC(F)(F)F)c1ccccc1)Cc1ccccc1 ZINC000054760978 822910887 /nfs/dbraw/zinc/91/08/87/822910887.db2.gz BSRCLIPTFHVWIZ-SFHVURJKSA-N 1 0 379.426 4.111 20 0 GIADRO Cc1cc([C@H](C)NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)c(C)s1 ZINC000457723154 822910844 /nfs/dbraw/zinc/91/08/44/822910844.db2.gz DJJVPZFBOSYZQI-ZDUSSCGKSA-N 1 0 391.503 4.484 20 0 GIADRO Cc1ccc(C[NH2+][C@@H]2CCN(c3c(F)cccc3F)C2)c(-c2ccnn2C)c1 ZINC000569359167 822911140 /nfs/dbraw/zinc/91/11/40/822911140.db2.gz DYELUMYZZJMVRO-QGZVFWFLSA-N 1 0 382.458 4.042 20 0 GIADRO COc1ccc([C@@H](CN(C)C)[NH2+][C@H](C)CC(=O)Nc2ccccc2C(C)C)cc1 ZINC000569364444 822911591 /nfs/dbraw/zinc/91/15/91/822911591.db2.gz RHUWLCCDMROPIJ-WZONZLPQSA-N 1 0 397.563 4.428 20 0 GIADRO Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(C(=O)[C@]2(C)CC[C@H](C)C2(C)C)C1 ZINC000457728973 822911885 /nfs/dbraw/zinc/91/18/85/822911885.db2.gz JVDZUAULPPMSNT-XPIZARPCSA-N 1 0 377.598 4.194 20 0 GIADRO CC(C)Oc1ccc(CC[C@@H](C)NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000175246895 822913179 /nfs/dbraw/zinc/91/31/79/822913179.db2.gz PHLYVYUXRFBEIA-LBFURVHYSA-N 1 0 387.568 4.109 20 0 GIADRO Cc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@H]2CCC(=O)N[C@@H]2C2CC2)CCC3)cc1 ZINC000569389353 822915063 /nfs/dbraw/zinc/91/50/63/822915063.db2.gz YVNWQTHDVNUHHE-SQGPQFPESA-N 1 0 381.545 4.143 20 0 GIADRO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C(=O)C(C)(C)Cc1ccc(Cl)cc1 ZINC000457756115 822915371 /nfs/dbraw/zinc/91/53/71/822915371.db2.gz ZFJALDHILXZEII-FPOVZHCZSA-N 1 0 399.966 4.455 20 0 GIADRO C[C@H]([NH2+]C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C)c1ccc([S@](C)=O)cc1 ZINC000186571626 822915466 /nfs/dbraw/zinc/91/54/66/822915466.db2.gz NMSBMYUZHZQUJO-DCOBRAFBSA-N 1 0 398.494 4.396 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)cc1O ZINC000569396778 822916524 /nfs/dbraw/zinc/91/65/24/822916524.db2.gz MLUYSJXHEMUUGD-KDOFPFPSSA-N 1 0 394.437 4.345 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CCNc2ncc(C(F)(F)F)cc2Cl)cc1O ZINC000569396742 822916547 /nfs/dbraw/zinc/91/65/47/822916547.db2.gz LBSXJIHLYNHDJK-JTQLQIEISA-N 1 0 389.805 4.231 20 0 GIADRO CC(C)Oc1ccc(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC000457772348 822917477 /nfs/dbraw/zinc/91/74/77/822917477.db2.gz VXYQFXHTWFFHRB-GOSISDBHSA-N 1 0 386.923 4.379 20 0 GIADRO Cc1c2ccc(NC(=O)N3CC[C@@H](C)[N@@H+](Cc4ccccc4)CC3)cc2nn1C ZINC000569404684 822917900 /nfs/dbraw/zinc/91/79/00/822917900.db2.gz XUQPFTXWMKWLTN-QGZVFWFLSA-N 1 0 391.519 4.010 20 0 GIADRO C[C@@H](CC(F)(F)F)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000457784085 822919033 /nfs/dbraw/zinc/91/90/33/822919033.db2.gz GPLKZPIEPHWGGH-FFZOFVMBSA-N 1 0 390.449 4.359 20 0 GIADRO Nc1nc(C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)nc2sc3c(c21)CCCC3 ZINC000569417444 822919749 /nfs/dbraw/zinc/91/97/49/822919749.db2.gz LZPPYJWWUTUUFC-INIZCTEOSA-N 1 0 378.545 4.217 20 0 GIADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCC(F)(Cc2ccc(Cl)cc2)CC1 ZINC000457793031 822919824 /nfs/dbraw/zinc/91/98/24/822919824.db2.gz SMCSMOFLEMGPFD-RTBURBONSA-N 1 0 393.934 4.023 20 0 GIADRO FC(F)Oc1ccc(NC2CC[NH+](Cc3ccncc3)CC2)c2ncccc12 ZINC000186594220 822920211 /nfs/dbraw/zinc/92/02/11/822920211.db2.gz PTAUGLNLLJETIE-UHFFFAOYSA-N 1 0 384.430 4.308 20 0 GIADRO Cc1ccccc1CN1CCC([NH2+]CCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000569420388 822920783 /nfs/dbraw/zinc/92/07/83/822920783.db2.gz LIVUUHKOVAWNHA-UHFFFAOYSA-N 1 0 385.939 4.231 20 0 GIADRO CCOc1ccc(C[NH2+]C2(c3cccc(OC)c3F)CCOCC2)cc1OC ZINC000569423921 822921301 /nfs/dbraw/zinc/92/13/01/822921301.db2.gz QLXTXRXYFCXNQS-UHFFFAOYSA-N 1 0 389.467 4.037 20 0 GIADRO Cc1cccc(-c2nnc(N3CCC[C@H](C[N@@H+]4CCCC[C@H]4C)C3)n2C(C)C)n1 ZINC000569428068 822921611 /nfs/dbraw/zinc/92/16/11/822921611.db2.gz BWSSRBYYPBEJDA-WOJBJXKFSA-N 1 0 396.583 4.320 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)N(C)[C@@H](C)c1ccc(F)cc1)[NH+]1CCCC1 ZINC000054920507 822922313 /nfs/dbraw/zinc/92/23/13/822922313.db2.gz IDMRTXCTYMMULE-UWJYYQICSA-N 1 0 399.510 4.374 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)N(C)[C@H](C)c1ccccc1)[NH+]1CCCC1 ZINC000054920505 822922400 /nfs/dbraw/zinc/92/24/00/822922400.db2.gz JBLRRNNRKOQHTP-WIYYLYMNSA-N 1 0 381.520 4.235 20 0 GIADRO Cc1ccccc1Oc1ccc(C(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)nc1 ZINC000457819474 822922439 /nfs/dbraw/zinc/92/24/39/822922439.db2.gz SRBMCBDTFNVASV-QGZVFWFLSA-N 1 0 379.504 4.129 20 0 GIADRO O=C(c1cc2cc(F)ccc2s1)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000186605369 822922477 /nfs/dbraw/zinc/92/24/77/822922477.db2.gz KBTCUQHNRLWFQO-GOSISDBHSA-N 1 0 383.492 4.220 20 0 GIADRO FC(F)(F)C1CCC(C[NH2+]CC2(c3ccc4c(c3)OCO4)CCOCC2)CC1 ZINC000186606199 822922698 /nfs/dbraw/zinc/92/26/98/822922698.db2.gz MCUASCQZJPTAPD-UHFFFAOYSA-N 1 0 399.453 4.422 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1(c2cccc(F)c2)CC1 ZINC000175283170 822923845 /nfs/dbraw/zinc/92/38/45/822923845.db2.gz XTURNPWOHIAKNM-FQEVSTJZSA-N 1 0 380.507 4.228 20 0 GIADRO CC[C@@H]([NH2+][C@H](C)c1sc(Cc2ccc(OC)c(OC)c2)nc1C)C(C)(C)O ZINC000569442386 822924087 /nfs/dbraw/zinc/92/40/87/822924087.db2.gz KUPDAXRGGJFMSH-FZKQIMNGSA-N 1 0 392.565 4.260 20 0 GIADRO O=C([C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)N(CC(F)(F)F)C1CCC1 ZINC000569444778 822924268 /nfs/dbraw/zinc/92/42/68/822924268.db2.gz SEBHLUNHTICATQ-MRXNPFEDSA-N 1 0 390.396 4.087 20 0 GIADRO CC(C)(Cc1ccc(Cl)cc1)C(=O)Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000457837053 822924284 /nfs/dbraw/zinc/92/42/84/822924284.db2.gz YOIRCODHVKYDIG-FQEVSTJZSA-N 1 0 386.923 4.114 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCC(=O)c1cccs1 ZINC000175284603 822924463 /nfs/dbraw/zinc/92/44/63/822924463.db2.gz ULGDHJQRNPOFSA-IBGZPJMESA-N 1 0 384.545 4.082 20 0 GIADRO O=C(Nc1ccc(O[C@H]2CCOC2)cc1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000569448892 822924845 /nfs/dbraw/zinc/92/48/45/822924845.db2.gz PVILINSHOMYASF-QFIPXVFZSA-N 1 0 380.488 4.093 20 0 GIADRO [NH3+]CC[C@H](NC(=O)CS[C@H](c1ccccc1)c1ccc(Cl)cc1)C(F)F ZINC000569455779 822925449 /nfs/dbraw/zinc/92/54/49/822925449.db2.gz RGGLSHUBBYCIKU-FUHWJXTLSA-N 1 0 398.906 4.261 20 0 GIADRO [NH3+]CC[C@H](NC(=O)CS[C@@H](c1ccccc1)c1ccc(Cl)cc1)C(F)F ZINC000569455782 822925540 /nfs/dbraw/zinc/92/55/40/822925540.db2.gz RGGLSHUBBYCIKU-WMZOPIPTSA-N 1 0 398.906 4.261 20 0 GIADRO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@H](c3cnn(C)c3)c3ccc(F)cc3)CC2)C1 ZINC000186629381 822926041 /nfs/dbraw/zinc/92/60/41/822926041.db2.gz CTZJKGPPQSDNNA-VSDWSMLSSA-N 1 0 384.543 4.281 20 0 GIADRO CC[N@@H+]1CCC[C@H]1CNC(=S)N(Cc1cccs1)c1ccc(F)cc1F ZINC000054971223 822926370 /nfs/dbraw/zinc/92/63/70/822926370.db2.gz KVXBJXVDMGRJGV-HNNXBMFYSA-N 1 0 395.544 4.392 20 0 GIADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)N(Cc1ccccn1)c1ccc(Cl)cc1 ZINC000054973406 822926841 /nfs/dbraw/zinc/92/68/41/822926841.db2.gz QDZQSFCGWVTMJC-LJQANCHMSA-N 1 0 388.968 4.100 20 0 GIADRO COc1cc(/C=C\c2nc(C3([NH3+])CCC3)no2)cc(Cl)c1OCC(C)C ZINC000569483528 822928198 /nfs/dbraw/zinc/92/81/98/822928198.db2.gz QDFSSPBLFXRZBA-WAYWQWQTSA-N 1 0 377.872 4.275 20 0 GIADRO C[C@H](Cc1ccc(Br)c(F)c1)[NH2+][C@@H]1CCCc2[nH]c(=O)ccc21 ZINC000569507340 822931397 /nfs/dbraw/zinc/93/13/97/822931397.db2.gz DRDUFQHOYOBJMP-BDJLRTHQSA-N 1 0 379.273 4.287 20 0 GIADRO COc1cc(C[NH+]2CCC(Cc3ccc(F)c(F)c3)CC2)cc(OC)c1O ZINC000569508218 822931420 /nfs/dbraw/zinc/93/14/20/822931420.db2.gz PVNXOWMIKZDYMO-UHFFFAOYSA-N 1 0 377.431 4.142 20 0 GIADRO Cc1ccc(C(=O)C(C(=S)NC(C)(C)C)[n+]2ccc3c(c2)CCCC3)cc1 ZINC000055015085 822931751 /nfs/dbraw/zinc/93/17/51/822931751.db2.gz YNGLKDJLKRPYFK-UHFFFAOYSA-O 1 0 381.565 4.488 20 0 GIADRO C[C@]1(CCCO)CCC[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000569509695 822931832 /nfs/dbraw/zinc/93/18/32/822931832.db2.gz WTPFVXYBOJIRRF-HSZRJFAPSA-N 1 0 376.504 4.061 20 0 GIADRO C[N@H+](CCc1ccc(F)cc1)Cc1nnc(-c2ccccc2Br)o1 ZINC000055023294 822931858 /nfs/dbraw/zinc/93/18/58/822931858.db2.gz ZJDJYOZCFCHLHF-UHFFFAOYSA-N 1 0 390.256 4.313 20 0 GIADRO COC1CCC(NC(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)CC1 ZINC000457908257 822932675 /nfs/dbraw/zinc/93/26/75/822932675.db2.gz CXMRUXAKBYZYML-UHFFFAOYSA-N 1 0 387.568 4.208 20 0 GIADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2sc3ccccc3c2Br)C1 ZINC000569515138 822932877 /nfs/dbraw/zinc/93/28/77/822932877.db2.gz HCJDKCOLHMPDHZ-CYBMUJFWSA-N 1 0 395.366 4.372 20 0 GIADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000569517738 822933327 /nfs/dbraw/zinc/93/33/27/822933327.db2.gz GLSWQNQBDCIUBO-QZTJIDSGSA-N 1 0 384.524 4.355 20 0 GIADRO O=C(Nc1cccc(-c2ccccc2)c1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000569520530 822933878 /nfs/dbraw/zinc/93/38/78/822933878.db2.gz JQCDULOYLDCKKO-PKTZIBPZSA-N 1 0 393.531 4.243 20 0 GIADRO COC[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccccc1OC)c1cccc(Cl)c1 ZINC000569528160 822934949 /nfs/dbraw/zinc/93/49/49/822934949.db2.gz PYYXVAXVXIJMIG-KBXCAEBGSA-N 1 0 376.884 4.043 20 0 GIADRO COC[C@@H]([NH2+][C@H](C)CC(=O)Nc1ccccc1OC)c1cccc(Cl)c1 ZINC000569528164 822934959 /nfs/dbraw/zinc/93/49/59/822934959.db2.gz PYYXVAXVXIJMIG-RDTXWAMCSA-N 1 0 376.884 4.043 20 0 GIADRO CN1CC[C@H]([NH2+][C@@H](C(=O)Nc2ccccc2)c2ccccc2)[C@H]1c1ccccc1 ZINC000569533226 822935686 /nfs/dbraw/zinc/93/56/86/822935686.db2.gz FJIQGISFXQDQLS-RBZQAINGSA-N 1 0 385.511 4.401 20 0 GIADRO COc1ccc([C@H](C)NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1F ZINC000175327097 822936116 /nfs/dbraw/zinc/93/61/16/822936116.db2.gz XHNRKVMXEVNARR-FUHIMQAGSA-N 1 0 399.510 4.248 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000457921280 822936217 /nfs/dbraw/zinc/93/62/17/822936217.db2.gz BXGUNVXFOZJGTJ-DOTOQJQBSA-N 1 0 398.576 4.305 20 0 GIADRO Cc1cccc(CN(C)C(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)n1 ZINC000457931554 822939015 /nfs/dbraw/zinc/93/90/15/822939015.db2.gz BKKVBCSPJPKELY-QFIPXVFZSA-N 1 0 380.536 4.005 20 0 GIADRO CCOc1ccc2c(c1)[C@H]([NH2+][C@@H](C)CC(=O)Nc1ccccc1CC)CCO2 ZINC000186699007 822940113 /nfs/dbraw/zinc/94/01/13/822940113.db2.gz VOSLAEOOAZQKRX-HRAATJIYSA-N 1 0 382.504 4.478 20 0 GIADRO O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000569572659 822941255 /nfs/dbraw/zinc/94/12/55/822941255.db2.gz FPDJASGSKVMJTP-NRFANRHFSA-N 1 0 378.501 4.181 20 0 GIADRO COc1ccccc1Oc1ccc(NC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cc1F ZINC000569573028 822941285 /nfs/dbraw/zinc/94/12/85/822941285.db2.gz OWCHRSASVDMSNQ-JOCHJYFZSA-N 1 0 399.466 4.234 20 0 GIADRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2OC(C)C)cc1OC ZINC000055151962 822941312 /nfs/dbraw/zinc/94/13/12/822941312.db2.gz RZDNQTAKXLSSKG-CVEARBPZSA-N 1 0 386.492 4.169 20 0 GIADRO CC(C)c1ccc(CNC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000457948786 822942658 /nfs/dbraw/zinc/94/26/58/822942658.db2.gz FCXJGMRPNKNIKW-UHFFFAOYSA-N 1 0 385.474 4.368 20 0 GIADRO CC(C)OC(=O)C[C@H]([NH2+]Cc1cnc(-c2ccncc2)s1)c1ccccc1 ZINC000569611828 822944733 /nfs/dbraw/zinc/94/47/33/822944733.db2.gz OLTIZMRJTBYOAC-IBGZPJMESA-N 1 0 381.501 4.378 20 0 GIADRO COc1ccc(C[N@@H+]2CCCN(C(=O)CCc3ccc([C@H]4C[C@@H]4C)o3)CC2)cc1 ZINC000055209906 822945926 /nfs/dbraw/zinc/94/59/26/822945926.db2.gz NINMCTBGDLQVRC-AVRDEDQJSA-N 1 0 396.531 4.079 20 0 GIADRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000175369021 822948742 /nfs/dbraw/zinc/94/87/42/822948742.db2.gz DTHRSESMLMOFAX-AOYPEHQESA-N 1 0 388.555 4.104 20 0 GIADRO C[C@H]([NH2+]CCc1ccc(OCC(F)(F)F)nc1)c1nc2c(s1)CCCC2 ZINC000186751941 822949834 /nfs/dbraw/zinc/94/98/34/822949834.db2.gz NBZPCRAGABZHKO-LBPRGKRZSA-N 1 0 385.455 4.251 20 0 GIADRO NS(=O)(=O)c1ccc2c(c1)[C@@H]([NH2+]C1CCC(c3ccccc3)CC1)CCC2 ZINC000569652603 822950537 /nfs/dbraw/zinc/95/05/37/822950537.db2.gz BDLSMFUUNVSXRK-FQVRHNBASA-N 1 0 384.545 4.027 20 0 GIADRO COc1ccc(C[C@@H]2CCC[N@H+](CC(=O)N(C)[C@H](C)c3ccccc3)C2)cc1 ZINC000569657095 822951265 /nfs/dbraw/zinc/95/12/65/822951265.db2.gz ZDVZBMYQNGGXCR-CTNGQTDRSA-N 1 0 380.532 4.169 20 0 GIADRO Cc1cc(-c2noc(-c3cnn(CC[NH+](C)C)c3-c3ccccc3)n2)ccc1F ZINC000569656774 822951283 /nfs/dbraw/zinc/95/12/83/822951283.db2.gz QKHMGVHEIBDZHE-UHFFFAOYSA-N 1 0 391.450 4.276 20 0 GIADRO COC(=O)N1CCC([C@H](C)[NH2+][C@H](C)c2sc(-c3cccnc3)nc2C)CC1 ZINC000186766068 822951777 /nfs/dbraw/zinc/95/17/77/822951777.db2.gz VGNKNEOGVXALPH-UONOGXRCSA-N 1 0 388.537 4.031 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)NCc1ccc(Br)cc1Cl ZINC000458030554 822952002 /nfs/dbraw/zinc/95/20/02/822952002.db2.gz HRVXFDOOWLEDLW-UHFFFAOYSA-N 1 0 390.753 4.022 20 0 GIADRO Cc1cnc([C@@H](C)C[NH2+][C@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)s1 ZINC000186771661 822952810 /nfs/dbraw/zinc/95/28/10/822952810.db2.gz AYDCHUXMSPGNLF-UONOGXRCSA-N 1 0 379.957 4.235 20 0 GIADRO Cn1cncc1[C@@H]1C[C@H]([NH2+][C@H](Cc2cccnc2)c2ccc(Cl)cc2)CCO1 ZINC000569666669 822952875 /nfs/dbraw/zinc/95/28/75/822952875.db2.gz QLOIPWLYLDUDJX-SJBKTWHCSA-N 1 0 396.922 4.262 20 0 GIADRO C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](C)[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000569672222 822953403 /nfs/dbraw/zinc/95/34/03/822953403.db2.gz AIWLSMDIWIJTSD-BXUZGUMPSA-N 1 0 382.348 4.252 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCc2cccc3c2CCCN3)CC1 ZINC000569676927 822954171 /nfs/dbraw/zinc/95/41/71/822954171.db2.gz OJJKTVJRXKXADD-SFHVURJKSA-N 1 0 392.547 4.070 20 0 GIADRO CCC[C@]1(CO)CCN(Cc2cc(Br)cc(Br)c2)C1 ZINC000569681568 822954821 /nfs/dbraw/zinc/95/48/21/822954821.db2.gz PCPLUFJZYQSARO-HNNXBMFYSA-N 1 0 391.147 4.196 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H](C(F)(F)F)C[C@H]1C)c1ccco1 ZINC000458063530 822954939 /nfs/dbraw/zinc/95/49/39/822954939.db2.gz FXIJIGRYVISBET-QLFBSQMISA-N 1 0 375.435 4.035 20 0 GIADRO CC(C)[C@@H](CNC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)c1cccnc1 ZINC000175388042 822955110 /nfs/dbraw/zinc/95/51/10/822955110.db2.gz YJBFXBJYRSBRSK-HSZRJFAPSA-N 1 0 394.563 4.033 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(Cl)c1Cl)c1ccc2c(c1)OCO2 ZINC000055374770 822955609 /nfs/dbraw/zinc/95/56/09/822955609.db2.gz GAVGFSRMGQWHNG-MNOVXSKESA-N 1 0 381.259 4.400 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C(F)(F)F)c1ccc2c(c1)OCO2 ZINC000055375308 822955766 /nfs/dbraw/zinc/95/57/66/822955766.db2.gz BPEIAWALHKGLSE-NEPJUHHUSA-N 1 0 380.366 4.112 20 0 GIADRO COc1ccc2c(c1)CN(C(=O)C[C@@H]1CCCC[C@H]1[NH3+])[C@@H](c1ccccc1)C2 ZINC000569694686 822956104 /nfs/dbraw/zinc/95/61/04/822956104.db2.gz MDZUKWVQRQWORY-WWPVKYPJSA-N 1 0 378.516 4.229 20 0 GIADRO C[N@@H+]1CC[C@@H](NCc2csc(COc3ccc(F)cc3)n2)[C@@H]1c1ccccc1 ZINC000569699327 822956228 /nfs/dbraw/zinc/95/62/28/822956228.db2.gz CUSYQZCOCZELLN-IRLDBZIGSA-N 1 0 397.519 4.396 20 0 GIADRO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000175392315 822956768 /nfs/dbraw/zinc/95/67/68/822956768.db2.gz MYCGRRJFXGXWBU-JWIGPWBQSA-N 1 0 394.581 4.064 20 0 GIADRO C[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2C2CC2)CC[N@@H+](C2CCC2)C1 ZINC000569704457 822957143 /nfs/dbraw/zinc/95/71/43/822957143.db2.gz LVCYOBITUCCPEY-MRXNPFEDSA-N 1 0 399.970 4.168 20 0 GIADRO O=C(CC[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1)NC(c1ccccc1)c1ccccc1 ZINC000569719388 822958891 /nfs/dbraw/zinc/95/88/91/822958891.db2.gz FGPOGPDEGJGKSH-XZOQPEGZSA-N 1 0 392.543 4.173 20 0 GIADRO COC(=O)c1cc2cc(C[N@H+](C)[C@H](C)c3ccc([S@@](C)=O)cc3)ccc2o1 ZINC000175398620 822959002 /nfs/dbraw/zinc/95/90/02/822959002.db2.gz LROKOOCNVWDXIQ-LOKFHWFJSA-N 1 0 385.485 4.150 20 0 GIADRO O=C([O-])c1c[nH+]c2ccccc2c1N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000569728916 822959653 /nfs/dbraw/zinc/95/96/53/822959653.db2.gz WXOHETVDCZOKHP-DEOSSOPVSA-N 1 0 387.483 4.035 20 0 GIADRO C[C@@H](NC(=O)[C@H](C)[N@@H+]1CCSC2(CCOCC2)C1)c1cccc2ccccc21 ZINC000186819128 822960823 /nfs/dbraw/zinc/96/08/23/822960823.db2.gz JRDRYHURKYVLKY-MSOLQXFVSA-N 1 0 398.572 4.004 20 0 GIADRO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]Cc1noc2ccccc12 ZINC000569743240 822962206 /nfs/dbraw/zinc/96/22/06/822962206.db2.gz HZRWCVLTMQMVHC-GFCCVEGCSA-N 1 0 377.366 4.354 20 0 GIADRO C[N@@H+]1CCC[C@H](CCNC(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)C1 ZINC000458164637 822964075 /nfs/dbraw/zinc/96/40/75/822964075.db2.gz KLQMRUWYHAOJRS-CYBMUJFWSA-N 1 0 399.482 4.096 20 0 GIADRO Cc1nc(CSc2ccc(C(=O)NCC[C@H]3CCC[N@@H+](C)C3)cc2)cs1 ZINC000458168641 822964629 /nfs/dbraw/zinc/96/46/29/822964629.db2.gz NOFHCTZWRIYZKL-MRXNPFEDSA-N 1 0 389.590 4.206 20 0 GIADRO CC(=O)Nc1ccc(Cl)c(C(=O)NC(C)(C)CC[NH+]2CCCCCC2)c1 ZINC000186840151 822965370 /nfs/dbraw/zinc/96/53/70/822965370.db2.gz HOXQADWJYRMCQB-UHFFFAOYSA-N 1 0 379.932 4.073 20 0 GIADRO C[NH+](C)CCN(Cc1cccs1)C(=O)Nc1ccc(-c2ccccn2)cc1 ZINC000569773560 822966752 /nfs/dbraw/zinc/96/67/52/822966752.db2.gz WKGFVIHJHHWOPE-UHFFFAOYSA-N 1 0 380.517 4.406 20 0 GIADRO Cc1ccc([C@H](CNC(=O)N(C)Cc2cc3ccccc3o2)[NH+]2CCCC2)o1 ZINC000175431761 822967042 /nfs/dbraw/zinc/96/70/42/822967042.db2.gz GGPRDBIQEPXMOF-IBGZPJMESA-N 1 0 381.476 4.313 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)N2CCCC[C@@H]2c2cccn2C)[NH+]2CCCC2)o1 ZINC000175431789 822967093 /nfs/dbraw/zinc/96/70/93/822967093.db2.gz HGWUYVIIDUMEGO-WOJBJXKFSA-N 1 0 384.524 4.000 20 0 GIADRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)C1 ZINC000458207210 822968871 /nfs/dbraw/zinc/96/88/71/822968871.db2.gz JDJXYODEGDZYDO-AWEZNQCLSA-N 1 0 396.409 4.307 20 0 GIADRO C[C@H]([NH2+]CCCCCS(C)(=O)=O)c1cc2cc(Br)ccc2o1 ZINC000186858279 822969252 /nfs/dbraw/zinc/96/92/52/822969252.db2.gz YBDXQVFBQBIUHR-LBPRGKRZSA-N 1 0 388.327 4.061 20 0 GIADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)Nc3ccnc(Oc4ccccc4Cl)c3)C2)C1 ZINC000569799733 822970792 /nfs/dbraw/zinc/97/07/92/822970792.db2.gz ZJGFZZMHBNGOLX-HXUWFJFHSA-N 1 0 386.883 4.087 20 0 GIADRO O=C(C[NH2+][C@@H]1CCSc2c(Cl)cccc21)N[C@@H]1CCOc2ccccc21 ZINC000569816951 822972364 /nfs/dbraw/zinc/97/23/64/822972364.db2.gz DUIZFYXIPIGEQR-IAGOWNOFSA-N 1 0 388.920 4.107 20 0 GIADRO O[C@H]([C@@H]1CCC[N@@H+]([C@H](c2ccc(Cl)cc2)C2CCOCC2)C1)C(F)(F)F ZINC000569821839 822972826 /nfs/dbraw/zinc/97/28/26/822972826.db2.gz DNQBWZLPZZZZJS-KBAYOESNSA-N 1 0 391.861 4.443 20 0 GIADRO Cc1cc(NC(=O)c2cc3c(C(F)F)nn(C)c3s2)ccc1C[NH+](C)C ZINC000458259573 822974550 /nfs/dbraw/zinc/97/45/50/822974550.db2.gz GYFBMSTUIOYDTO-UHFFFAOYSA-N 1 0 378.448 4.195 20 0 GIADRO C[C@H]1C[C@@H](NC(=O)NCc2cccc3cccnc32)CC[N@@H+]1Cc1ccccc1 ZINC000175461852 822974771 /nfs/dbraw/zinc/97/47/71/822974771.db2.gz QDZSFAPPTXODSP-AVRDEDQJSA-N 1 0 388.515 4.087 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)NCC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000458270036 822976207 /nfs/dbraw/zinc/97/62/07/822976207.db2.gz HUNSIVRZMHLMSJ-UHFFFAOYSA-N 1 0 385.474 4.157 20 0 GIADRO CC(C)[C@@H]1CCCC[C@H]1NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458273375 822976677 /nfs/dbraw/zinc/97/66/77/822976677.db2.gz WTWJBZSFBYCZTL-DLBZAZTESA-N 1 0 377.495 4.259 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)Cc2c[nH]c3cccc(Cl)c23)cc1F ZINC000458275972 822976876 /nfs/dbraw/zinc/97/68/76/822976876.db2.gz OGWICDWYXYVUJR-UHFFFAOYSA-N 1 0 389.858 4.082 20 0 GIADRO Cc1cc(NC(=O)c2cc(NC(=O)N(C)C)ccc2Cl)ccc1C[NH+](C)C ZINC000458278490 822977089 /nfs/dbraw/zinc/97/70/89/822977089.db2.gz IXIKCROLZRKRSI-UHFFFAOYSA-N 1 0 388.899 4.056 20 0 GIADRO CC[C@@H](NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1nc(-c2ccccc2)c[nH]1 ZINC000569865058 822978040 /nfs/dbraw/zinc/97/80/40/822978040.db2.gz TXXFWBUPSOCXBS-NHCUHLMSSA-N 1 0 388.515 4.166 20 0 GIADRO CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000458288093 822978675 /nfs/dbraw/zinc/97/86/75/822978675.db2.gz QAIBZAXKPZPYRN-MRXNPFEDSA-N 1 0 379.508 4.333 20 0 GIADRO CCc1c(C(=O)Nc2ccc(OCC[NH+](C)C)c(F)c2)cnn1C(CC)CC ZINC000458292937 822979509 /nfs/dbraw/zinc/97/95/09/822979509.db2.gz OYENODHYHFXCTA-UHFFFAOYSA-N 1 0 390.503 4.138 20 0 GIADRO O=C(NCCCCC[NH+]1CCCC1)c1ccc(N2CCc3ccccc3C2)cc1 ZINC000569879208 822979950 /nfs/dbraw/zinc/97/99/50/822979950.db2.gz VGUIFXAJWDDIBF-UHFFFAOYSA-N 1 0 391.559 4.245 20 0 GIADRO COc1cc(Br)cc(C)c1NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000175485471 822980488 /nfs/dbraw/zinc/98/04/88/822980488.db2.gz RGLJWCBWHNEATQ-OAHLLOKOSA-N 1 0 398.345 4.104 20 0 GIADRO CC[C@H](NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1)c1nc(C)cs1 ZINC000458302868 822980845 /nfs/dbraw/zinc/98/08/45/822980845.db2.gz ATDPFWFYNWVRCS-LPHOPBHVSA-N 1 0 386.565 4.066 20 0 GIADRO Cn1cc(C[N@@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)c(-c2ccccc2)n1 ZINC000569888704 822980915 /nfs/dbraw/zinc/98/09/15/822980915.db2.gz KLNQVWMRPGYSIU-FQEVSTJZSA-N 1 0 398.514 4.252 20 0 GIADRO Cc1nc2ccccc2n1CCC[NH2+][C@@H](C)c1ncc(Br)cc1F ZINC000186927180 822981483 /nfs/dbraw/zinc/98/14/83/822981483.db2.gz IXRYPSBQKPYBRS-LBPRGKRZSA-N 1 0 391.288 4.382 20 0 GIADRO CCN(C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@H](C)Cc1ccsc1 ZINC000186934829 822983153 /nfs/dbraw/zinc/98/31/53/822983153.db2.gz LYXUZKZPMZSYRL-KNQAVFIVSA-N 1 0 399.604 4.275 20 0 GIADRO CN(CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)CC1([NH+](C)C)CCC1 ZINC000186941754 822984074 /nfs/dbraw/zinc/98/40/74/822984074.db2.gz DNVOWPHDYUSLBB-UHFFFAOYSA-N 1 0 378.731 4.001 20 0 GIADRO C[C@H](NCCC[N@H+](C)Cc1ccccc1)c1ncc(Br)cc1F ZINC000186949215 822985117 /nfs/dbraw/zinc/98/51/17/822985117.db2.gz BKTVAABTARYZKW-AWEZNQCLSA-N 1 0 380.305 4.156 20 0 GIADRO Cn1c2ccccc2nc1[C@@H]1CCCN1C(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000569923194 822986018 /nfs/dbraw/zinc/98/60/18/822986018.db2.gz GKOPECSGOSVVML-NQIIRXRSSA-N 1 0 382.552 4.315 20 0 GIADRO CCCN(C[C@@H]1CCCCO1)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000175510596 822987098 /nfs/dbraw/zinc/98/70/98/822987098.db2.gz JPWZVCBLKUMSFT-HBFSDRIKSA-N 1 0 393.597 4.122 20 0 GIADRO CCCN(C[C@@H]1CCCCO1)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000175510564 822987120 /nfs/dbraw/zinc/98/71/20/822987120.db2.gz JPWZVCBLKUMSFT-BJLQDIEVSA-N 1 0 393.597 4.122 20 0 GIADRO C[C@@H]1c2c(Cl)cc(Cl)cc2CC[N@H+]1C[C@@H]1CCO[C@H]1c1ccnn1C ZINC000569932584 822987102 /nfs/dbraw/zinc/98/71/02/822987102.db2.gz HAJJIAUFFQBAHS-SPKLELGKSA-N 1 0 380.319 4.424 20 0 GIADRO CC(C)c1nc(C[N@@H+]2CCC[C@H](CNC(=O)c3ccccc3)C2)c2ccccn21 ZINC000569933038 822987245 /nfs/dbraw/zinc/98/72/45/822987245.db2.gz GBLLPLOMXLHRAC-LJQANCHMSA-N 1 0 390.531 4.100 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)c2ccc(OCc3ccncc3)cc2)c1 ZINC000569935502 822987428 /nfs/dbraw/zinc/98/74/28/822987428.db2.gz WZGRCIOMBSPTRB-UHFFFAOYSA-N 1 0 389.499 4.042 20 0 GIADRO Cc1cccc([C@@H](C)NC(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)c1 ZINC000458364195 822987556 /nfs/dbraw/zinc/98/75/56/822987556.db2.gz DQKAZQNMWONPAO-WOJBJXKFSA-N 1 0 395.547 4.255 20 0 GIADRO CCO[C@@H]1CCN(C(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)C[C@@H]1C ZINC000458368253 822987722 /nfs/dbraw/zinc/98/77/22/822987722.db2.gz ISIHXWZSTWXMIX-IRFCIJBXSA-N 1 0 387.568 4.107 20 0 GIADRO C[C@H](N[C@H](C[NH+]1CCCC1)c1ccccc1)c1ncc(Br)cc1F ZINC000186961343 822987850 /nfs/dbraw/zinc/98/78/50/822987850.db2.gz YUFLAAIDSHQPDM-KBXCAEBGSA-N 1 0 392.316 4.471 20 0 GIADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1nc(Cl)ccc1Cl ZINC000175515408 822988500 /nfs/dbraw/zinc/98/85/00/822988500.db2.gz ULUGRUIAQSAFHB-UHFFFAOYSA-N 1 0 386.245 4.125 20 0 GIADRO CCS[C@@H]1CCC[C@@H](NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000175515481 822988520 /nfs/dbraw/zinc/98/85/20/822988520.db2.gz QXPAIASEMJTJCG-WOJBJXKFSA-N 1 0 375.582 4.015 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCCC[C@@H]2c2cccn2C)CC1 ZINC000175524057 822990574 /nfs/dbraw/zinc/99/05/74/822990574.db2.gz KMHVUDMFLUPAEE-AUSIDOKSSA-N 1 0 394.563 4.487 20 0 GIADRO CSc1nsc(NC(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)n1 ZINC000175524226 822990594 /nfs/dbraw/zinc/99/05/94/822990594.db2.gz WWKYPFAXHSGSLO-UHFFFAOYSA-N 1 0 384.530 4.144 20 0 GIADRO Cc1nc(CCCC(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)cs1 ZINC000175525106 822990837 /nfs/dbraw/zinc/99/08/37/822990837.db2.gz ZEZXCFVJXGIOGD-UHFFFAOYSA-N 1 0 385.577 4.323 20 0 GIADRO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[NH2+][C@H](c1ccccc1)C(C)(C)CO ZINC000569972937 822991841 /nfs/dbraw/zinc/99/18/41/822991841.db2.gz PQDONYPYJYVQET-NTKDMRAZSA-N 1 0 394.559 4.163 20 0 GIADRO Cc1occc1C(=O)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000175531883 822992148 /nfs/dbraw/zinc/99/21/48/822992148.db2.gz HIGAVLODCUMVDU-KRWDZBQOSA-N 1 0 380.410 4.115 20 0 GIADRO O=C(Cc1ccsc1)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000175533497 822992386 /nfs/dbraw/zinc/99/23/86/822992386.db2.gz FAYDHDASBGHXJX-GOSISDBHSA-N 1 0 396.478 4.204 20 0 GIADRO O=C(c1cccs1)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000175534425 822992586 /nfs/dbraw/zinc/99/25/86/822992586.db2.gz UUMDMWUFHFGNKK-MRXNPFEDSA-N 1 0 382.451 4.275 20 0 GIADRO O=C(CC1CCCC1)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000175534067 822992611 /nfs/dbraw/zinc/99/26/11/822992611.db2.gz BWCODOCBWQHXRX-LJQANCHMSA-N 1 0 382.470 4.480 20 0 GIADRO C[C@H]([NH2+]CC1(c2ccccc2)CCOCC1)c1ncc(Br)cc1F ZINC000186997348 822994380 /nfs/dbraw/zinc/99/43/80/822994380.db2.gz YNYZPSHLNOZYEH-AWEZNQCLSA-N 1 0 393.300 4.382 20 0 GIADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2cccc(C(C)(F)F)c2)[C@H](C)C1 ZINC000186996646 822994392 /nfs/dbraw/zinc/99/43/92/822994392.db2.gz PWBDCFJUZQWLOI-QAPCUYQASA-N 1 0 383.483 4.057 20 0 GIADRO CC(=O)c1ccc(OC[C@H](O)C[NH2+]CC2(c3cccc(F)c3)CCCCC2)cc1 ZINC000569995171 822994401 /nfs/dbraw/zinc/99/44/01/822994401.db2.gz IRQGFAZPHHDTPQ-JOCHJYFZSA-N 1 0 399.506 4.260 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000175545441 822994781 /nfs/dbraw/zinc/99/47/81/822994781.db2.gz XVTIICIKCWAPCZ-ILBGXUMGSA-N 1 0 392.518 4.201 20 0 GIADRO COc1ccc(C[N@H+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)C(C)(C)C)cc1 ZINC000570005816 822995425 /nfs/dbraw/zinc/99/54/25/822995425.db2.gz XFKUJRPUHIEHNE-INIZCTEOSA-N 1 0 386.458 4.097 20 0 GIADRO COc1cc(C[N@@H+]2CCC[C@@]2(C)CCCO)ccc1OCc1cccs1 ZINC000570008755 822996181 /nfs/dbraw/zinc/99/61/81/822996181.db2.gz HZLNUZAPLSTXQD-NRFANRHFSA-N 1 0 375.534 4.463 20 0 GIADRO CCNC(=O)c1ccc(C[NH2+][C@@H](C)c2cc(Br)cc(C)c2O)cc1 ZINC000187007044 822996259 /nfs/dbraw/zinc/99/62/59/822996259.db2.gz GSQNCYRWAHFWCC-ZDUSSCGKSA-N 1 0 391.309 4.064 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)Nc2ccccc2N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000055685945 822998784 /nfs/dbraw/zinc/99/87/84/822998784.db2.gz YUSZRGQLPQHNCM-RTBURBONSA-N 1 0 395.547 4.394 20 0 GIADRO Clc1ccccc1-c1csc(CN2CCC[C@H](C[NH+]3CCOCC3)C2)n1 ZINC000187024910 822999689 /nfs/dbraw/zinc/99/96/89/822999689.db2.gz COFHNQMWWGTTTM-MRXNPFEDSA-N 1 0 391.968 4.008 20 0 GIADRO Cc1cnc(NC(=O)N2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000570044862 823000226 /nfs/dbraw/zinc/00/02/26/823000226.db2.gz JEEAGBGPTZKUSJ-LJQANCHMSA-N 1 0 382.508 4.138 20 0 GIADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N(C[C@H]1CCCO1)C1CCCC1 ZINC000175574269 823000516 /nfs/dbraw/zinc/00/05/16/823000516.db2.gz VAZHQXZDNOSPGQ-RTBURBONSA-N 1 0 391.581 4.018 20 0 GIADRO C[C@@H]([NH2+][C@H](C)C1CCS(=O)(=O)CC1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000187031569 823001049 /nfs/dbraw/zinc/00/10/49/823001049.db2.gz FKWGHCDYHCJFFZ-HZPDHXFCSA-N 1 0 391.508 4.482 20 0 GIADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)Cc1c(C)nn(C(C)C)c1C ZINC000570063335 823002104 /nfs/dbraw/zinc/00/21/04/823002104.db2.gz IIOUOGNTZKJARU-UHFFFAOYSA-N 1 0 390.597 4.055 20 0 GIADRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)Cc1coc2ccccc12 ZINC000570067440 823002563 /nfs/dbraw/zinc/00/25/63/823002563.db2.gz SOTKRYZTWFSCAR-PFWHTEFJSA-N 1 0 376.500 4.248 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1oc2ccccc2c1COc1ccccc1)C1CC1 ZINC000055718433 823002700 /nfs/dbraw/zinc/00/27/00/823002700.db2.gz GJELXPWADPOSAM-HXUWFJFHSA-N 1 0 378.472 4.082 20 0 GIADRO C[C@H]([NH2+]CCc1nc(C(F)(F)F)cs1)c1ccc(Br)cn1 ZINC000570103540 823006031 /nfs/dbraw/zinc/00/60/31/823006031.db2.gz WJBWVCHXQQXXCE-QMMMGPOBSA-N 1 0 380.233 4.213 20 0 GIADRO c1ccc(N2CC[NH+](CCc3ccncc3)CC2)c(N[C@H]2CC[C@H]2C2CC2)c1 ZINC000570103326 823006042 /nfs/dbraw/zinc/00/60/42/823006042.db2.gz UXFVCSRPNAHFHT-VXKWHMMOSA-N 1 0 376.548 4.047 20 0 GIADRO C[C@@H]([NH2+]CCc1nc(C(F)(F)F)cs1)c1ccc(Br)cn1 ZINC000570103539 823006141 /nfs/dbraw/zinc/00/61/41/823006141.db2.gz WJBWVCHXQQXXCE-MRVPVSSYSA-N 1 0 380.233 4.213 20 0 GIADRO COc1ccc(-n2c(C[N@@H+]3CCC[C@@H]3[C@@H]3CCCO3)nc3ccccc32)cc1 ZINC000570112538 823006674 /nfs/dbraw/zinc/00/66/74/823006674.db2.gz PUEXKLVQCMPERU-YADHBBJMSA-N 1 0 377.488 4.178 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)[C@H]1CC[C@@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1 ZINC000570113464 823006805 /nfs/dbraw/zinc/00/68/05/823006805.db2.gz NRXVTSDMXQUJSI-NWANDNLSSA-N 1 0 396.375 4.403 20 0 GIADRO CCC(=O)N1CCCC[C@H]1c1nc(-c2ccc(C[NH+]3CCC(C)CC3)cc2)no1 ZINC000570126316 823008036 /nfs/dbraw/zinc/00/80/36/823008036.db2.gz JRWBHAHBGBOTGI-FQEVSTJZSA-N 1 0 396.535 4.432 20 0 GIADRO CC(C)[C@@H](CNC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)c1cccnc1 ZINC000175625143 823008798 /nfs/dbraw/zinc/00/87/98/823008798.db2.gz YNFCGTSHHPIQTR-RTBURBONSA-N 1 0 386.565 4.019 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)N[C@@H](CC(C)C)c2ccccc2OC)CC1 ZINC000175627690 823009381 /nfs/dbraw/zinc/00/93/81/823009381.db2.gz OJZWSQRVHHBKCP-FQEVSTJZSA-N 1 0 375.557 4.298 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH2+]C[C@@H](c1ccco1)N1CCCC1 ZINC000187092265 823009707 /nfs/dbraw/zinc/00/97/07/823009707.db2.gz VYZCZHOPWHQTEE-NRFANRHFSA-N 1 0 377.488 4.277 20 0 GIADRO C[C@@H]([NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccc1)C1CCS(=O)(=O)CC1 ZINC000187093025 823009725 /nfs/dbraw/zinc/00/97/25/823009725.db2.gz UBEHDMPCRZNKHF-IERDGZPVSA-N 1 0 391.964 4.427 20 0 GIADRO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+]1CCC[C@](CO)(C(C)C)C1 ZINC000570145575 823010363 /nfs/dbraw/zinc/01/03/63/823010363.db2.gz BXGKXCUXOHFKCT-QFIPXVFZSA-N 1 0 389.971 4.432 20 0 GIADRO C[C@@H](NC(=O)N1CCC(C[NH+]2CCCC2)CC1)c1cccc(OC(F)(F)F)c1 ZINC000175637813 823010864 /nfs/dbraw/zinc/01/08/64/823010864.db2.gz JSIBHSUMUOHOLQ-OAHLLOKOSA-N 1 0 399.457 4.164 20 0 GIADRO CCOc1ccc(C(F)(F)F)cc1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000175638314 823011042 /nfs/dbraw/zinc/01/10/42/823011042.db2.gz CJSCYOLOZFJAOX-GOOCMWNKSA-N 1 0 385.430 4.241 20 0 GIADRO CC1(C)C[C@H](c2ccccc2)N(C(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)C1 ZINC000570156774 823011044 /nfs/dbraw/zinc/01/10/44/823011044.db2.gz LFXHYPJJHSJVKX-FGZHOGPDSA-N 1 0 377.532 4.293 20 0 GIADRO COc1cc(C2(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)CC2)ccc1C ZINC000570164965 823011632 /nfs/dbraw/zinc/01/16/32/823011632.db2.gz ZDVBAEMETHERPS-UGKGYDQZSA-N 1 0 392.543 4.062 20 0 GIADRO CCCN(CCc1ccccn1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000175642813 823011718 /nfs/dbraw/zinc/01/17/18/823011718.db2.gz VCUTZRWVMVWEGZ-NFBKMPQASA-N 1 0 394.563 4.099 20 0 GIADRO CC[NH+](CC)[C@@H](CN[C@H](C)c1ncc(Br)cc1F)c1ccco1 ZINC000187110448 823011944 /nfs/dbraw/zinc/01/19/44/823011944.db2.gz KKEZORWIFXGHCF-DOMZBBRYSA-N 1 0 384.293 4.310 20 0 GIADRO C[NH+](C)CCOc1cccc(CNC(=O)Nc2ccc(-c3ccccn3)cc2)c1 ZINC000570193284 823013873 /nfs/dbraw/zinc/01/38/73/823013873.db2.gz XSFKGYNSXRSXKY-UHFFFAOYSA-N 1 0 390.487 4.011 20 0 GIADRO CCc1ccc(C[C@@H](Cc2ccc(Cl)cc2)[NH2+]CCc2ncc(C)cn2)nc1 ZINC000570197276 823014462 /nfs/dbraw/zinc/01/44/62/823014462.db2.gz YMRUKTOOUFKZJR-JOCHJYFZSA-N 1 0 394.950 4.382 20 0 GIADRO CCCNC(=O)c1cccc(C[NH2+]Cc2cc(-c3ccncc3)ccc2OC)c1 ZINC000187128037 823014778 /nfs/dbraw/zinc/01/47/78/823014778.db2.gz JAAXPSGGBJHAAT-UHFFFAOYSA-N 1 0 389.499 4.187 20 0 GIADRO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000570204508 823014944 /nfs/dbraw/zinc/01/49/44/823014944.db2.gz GXUSBNXRSLEVDP-QFBILLFUSA-N 1 0 383.923 4.112 20 0 GIADRO O=C(NC1CC[NH+](Cc2cccnc2)CC1)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000175670372 823017013 /nfs/dbraw/zinc/01/70/13/823017013.db2.gz HQDCKOGCVIELGZ-RPWUZVMVSA-N 1 0 385.511 4.119 20 0 GIADRO Cc1ccccc1Cc1noc(CN(C)C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000175672388 823017337 /nfs/dbraw/zinc/01/73/37/823017337.db2.gz PXEXECGPGCAAES-UHFFFAOYSA-N 1 0 390.531 4.065 20 0 GIADRO COc1ncccc1CC[NH2+][C@H](C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000570250311 823019126 /nfs/dbraw/zinc/01/91/26/823019126.db2.gz DKCCXAOCCFIORZ-APWZRJJASA-N 1 0 388.483 4.071 20 0 GIADRO O=C(Nc1ccc(Oc2ccc(Cl)cc2)nc1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000175681409 823019137 /nfs/dbraw/zinc/01/91/37/823019137.db2.gz ZEVMHNUSZDPTCJ-KRWDZBQOSA-N 1 0 384.867 4.005 20 0 GIADRO CC[C@@H](C)n1nc(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)cc1C ZINC000570254762 823019875 /nfs/dbraw/zinc/01/98/75/823019875.db2.gz ODORBVRLLFIEEE-WIYYLYMNSA-N 1 0 382.552 4.195 20 0 GIADRO COc1cnccc1[C@@H](C)NC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000187174524 823020904 /nfs/dbraw/zinc/02/09/04/823020904.db2.gz RUYIZADUTAQFKB-QZTJIDSGSA-N 1 0 396.535 4.114 20 0 GIADRO C[C@H](NC(=O)c1cc(F)c(F)cc1Br)[C@H](c1ccccc1)[NH+](C)C ZINC000187177338 823021028 /nfs/dbraw/zinc/02/10/28/823021028.db2.gz ICCYGATZQIEXPD-APPDUMDISA-N 1 0 397.263 4.149 20 0 GIADRO CC[C@@H](NC(=O)N1CCc2ccccc2[C@@H]1C[NH3+])c1ccccc1OC(F)F ZINC000570277310 823021853 /nfs/dbraw/zinc/02/18/53/823021853.db2.gz HWMIZLQDCXJNAF-MSOLQXFVSA-N 1 0 389.446 4.007 20 0 GIADRO CC[C@@H](NC(=O)N1CCc2ccccc2[C@H]1C[NH3+])c1ccccc1OC(F)F ZINC000570277312 823021857 /nfs/dbraw/zinc/02/18/57/823021857.db2.gz HWMIZLQDCXJNAF-QZTJIDSGSA-N 1 0 389.446 4.007 20 0 GIADRO COc1ccc2cc([C@H](C)[NH2+]C[C@H]3CS(=O)(=O)c4ccccc43)ccc2c1 ZINC000570283944 823022307 /nfs/dbraw/zinc/02/23/07/823022307.db2.gz SHBFAHXVYNDXEI-KXBFYZLASA-N 1 0 381.497 4.070 20 0 GIADRO CC(C)c1ccc(C2(C[NH2+][C@@H](C)C3CCS(=O)(=O)CC3)CCCC2)cc1 ZINC000187186974 823022425 /nfs/dbraw/zinc/02/24/25/823022425.db2.gz FGWOWICMFKEINU-SFHVURJKSA-N 1 0 377.594 4.425 20 0 GIADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CCc1c(C)[nH]c2ccccc21 ZINC000187187998 823022472 /nfs/dbraw/zinc/02/24/72/823022472.db2.gz NQUGKGUZVNMPSO-UHFFFAOYSA-N 1 0 390.936 4.256 20 0 GIADRO O=C1CCCN1[C@@H]1CCC[C@H]([NH2+]Cc2cc3cc(Br)ccc3o2)C1 ZINC000570291968 823023131 /nfs/dbraw/zinc/02/31/31/823023131.db2.gz GTDMZOCEZLNSCP-JKSUJKDBSA-N 1 0 391.309 4.219 20 0 GIADRO CC(C)c1noc2ncc(C(=O)N(Cc3ccccc3)C3CC[NH+](C)CC3)cc21 ZINC000175701870 823023360 /nfs/dbraw/zinc/02/33/60/823023360.db2.gz ZYJHIACULWPDHJ-UHFFFAOYSA-N 1 0 392.503 4.083 20 0 GIADRO O=C(c1ccc(C[NH+]2CCSCC2)cc1)N1CCC=C(c2ccccc2)C1 ZINC000570300431 823023635 /nfs/dbraw/zinc/02/36/35/823023635.db2.gz XWRRXWWBJIWQGT-UHFFFAOYSA-N 1 0 378.541 4.165 20 0 GIADRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](Cc2ccc(Cl)cn2)[C@@H]2CCCC[C@H]12 ZINC000570304609 823023979 /nfs/dbraw/zinc/02/39/79/823023979.db2.gz FCLPZBVCPXZTGR-LGEIONFXSA-N 1 0 377.960 4.419 20 0 GIADRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](Cc2ccc(Cl)cn2)[C@H]2CCCC[C@H]12 ZINC000570304610 823024018 /nfs/dbraw/zinc/02/40/18/823024018.db2.gz FCLPZBVCPXZTGR-OFDAHSHWSA-N 1 0 377.960 4.419 20 0 GIADRO C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000570304481 823024053 /nfs/dbraw/zinc/02/40/53/823024053.db2.gz BFZYKGLIYRRPAK-RISCZKNCSA-N 1 0 393.318 4.429 20 0 GIADRO C[C@H](NC(=O)c1ccc(-c2nc(C3CC3)no2)cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000187201846 823024273 /nfs/dbraw/zinc/02/42/73/823024273.db2.gz NQFRQRVCTXJMFG-YWZLYKJASA-N 1 0 390.487 4.035 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)N[C@H](CO)c1ccc(F)cc1)C1CCCCC1 ZINC000570309464 823024334 /nfs/dbraw/zinc/02/43/34/823024334.db2.gz CSYLNMLFJYLBFE-JOCHJYFZSA-N 1 0 399.510 4.445 20 0 GIADRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@H](C)c3ccc(SCC(F)F)cc3)[C@H]2C1 ZINC000570314778 823024917 /nfs/dbraw/zinc/02/49/17/823024917.db2.gz HUTSCYULZKNNEU-JXIYXGQPSA-N 1 0 382.520 4.341 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2)C1)c1ncc(Br)cc1F ZINC000187208468 823025194 /nfs/dbraw/zinc/02/51/94/823025194.db2.gz BUQWHWPATDFBMR-DZGCQCFKSA-N 1 0 378.289 4.303 20 0 GIADRO COc1cc(Br)ccc1C[NH2+]C[C@]1(C)OCCc2sccc21 ZINC000570322453 823025692 /nfs/dbraw/zinc/02/56/92/823025692.db2.gz BGEYBKVHHNKEAN-KRWDZBQOSA-N 1 0 382.323 4.097 20 0 GIADRO CN1CC[C@H]([NH2+]Cc2nccn2Cc2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000570340541 823027124 /nfs/dbraw/zinc/02/71/24/823027124.db2.gz UMPNZAQYTZXKFM-UNMCSNQZSA-N 1 0 398.913 4.259 20 0 GIADRO COc1ccc(Cl)cc1[C@H](CC(C)C)[NH2+][C@@H](C)C1CCS(=O)(=O)CC1 ZINC000187228221 823027785 /nfs/dbraw/zinc/02/77/85/823027785.db2.gz STWXXRUWZYICFI-KSSFIOAISA-N 1 0 387.973 4.239 20 0 GIADRO CC(C)[C@]1(CO)CCC[N@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000570351166 823027792 /nfs/dbraw/zinc/02/77/92/823027792.db2.gz MNKABNYHQDUTNJ-LJQANCHMSA-N 1 0 392.341 4.070 20 0 GIADRO CC(C)[C@@]1(CO)CCC[N@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000570351165 823027827 /nfs/dbraw/zinc/02/78/27/823027827.db2.gz MNKABNYHQDUTNJ-IBGZPJMESA-N 1 0 392.341 4.070 20 0 GIADRO COc1ccc(Cl)cc1[C@H](CC(C)C)[NH2+][C@H](C)C1CCS(=O)(=O)CC1 ZINC000187228252 823027848 /nfs/dbraw/zinc/02/78/48/823027848.db2.gz STWXXRUWZYICFI-KDOFPFPSSA-N 1 0 387.973 4.239 20 0 GIADRO O=C(N[C@H](c1ccccc1)C1CC1)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000570353118 823028189 /nfs/dbraw/zinc/02/81/89/823028189.db2.gz RFEPFBKIDIFGEP-ILBGXUMGSA-N 1 0 389.543 4.445 20 0 GIADRO O[C@H]([C@@H]1CCC[N@H+](Cc2ccc(-c3c(F)cccc3F)o2)C1)C(F)(F)F ZINC000570358781 823028705 /nfs/dbraw/zinc/02/87/05/823028705.db2.gz NOHVETLIPPNXTJ-PIGZYNQJSA-N 1 0 375.337 4.360 20 0 GIADRO CC[NH+](CC)[C@H](C(=O)Nc1cc(C(=O)N(C)C)ccc1Cl)c1ccccc1 ZINC000175733410 823028804 /nfs/dbraw/zinc/02/88/04/823028804.db2.gz XPJQCSTYGQRZEH-IBGZPJMESA-N 1 0 387.911 4.063 20 0 GIADRO C[C@H](NC(=O)Cc1csc(-c2cccc(F)c2)n1)[C@H](c1ccccc1)[NH+](C)C ZINC000187239266 823029130 /nfs/dbraw/zinc/02/91/30/823029130.db2.gz FVNUIUGNMAGEKV-YCRPNKLZSA-N 1 0 397.519 4.299 20 0 GIADRO Cc1ccc(-c2noc([C@H](C)[N@@H+]3CCCN4c5ccccc5C[C@H]4C3)n2)cc1F ZINC000570367449 823029713 /nfs/dbraw/zinc/02/97/13/823029713.db2.gz SKCHPDKZRHPSGW-LPHOPBHVSA-N 1 0 392.478 4.382 20 0 GIADRO O=C(Nc1cc(F)ccc1OCC1CC1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000570380740 823031761 /nfs/dbraw/zinc/03/17/61/823031761.db2.gz BSZKYFOYJYMENF-VQIMIIECSA-N 1 0 375.488 4.001 20 0 GIADRO Cc1nn(C)c2nc(-c3ccccc3)cc(-c3nc([C@H]([NH3+])CC(C)C)no3)c12 ZINC000570395210 823032872 /nfs/dbraw/zinc/03/28/72/823032872.db2.gz HETQVEFHFQYICB-MRXNPFEDSA-N 1 0 376.464 4.040 20 0 GIADRO CN(C(=O)N[C@@H]1CCC[C@H]1c1ccccc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458385117 823035148 /nfs/dbraw/zinc/03/51/48/823035148.db2.gz MGIWYUDCCPGRKE-RBUKOAKNSA-N 1 0 397.485 4.381 20 0 GIADRO C[C@H](NC(=O)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000187274702 823035478 /nfs/dbraw/zinc/03/54/78/823035478.db2.gz IGNFLCWZFFPCBM-SGJCYKPQSA-N 1 0 376.422 4.015 20 0 GIADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc(Oc2ccccc2F)nc1 ZINC000570421953 823035862 /nfs/dbraw/zinc/03/58/62/823035862.db2.gz ZVEFKJDGEAMHTR-MAUKXSAKSA-N 1 0 384.455 4.104 20 0 GIADRO C[C@H]1Cc2ccccc2CN1C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000175771107 823036623 /nfs/dbraw/zinc/03/66/23/823036623.db2.gz CYYSPOFHNNXWTD-SFHVURJKSA-N 1 0 395.572 4.257 20 0 GIADRO CCCCOc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3ccnc3)nc2)cc1OC ZINC000175777765 823038054 /nfs/dbraw/zinc/03/80/54/823038054.db2.gz OKEPQSUDSOPXPR-QGZVFWFLSA-N 1 0 380.492 4.306 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1c(F)cccc1Br ZINC000175780108 823038386 /nfs/dbraw/zinc/03/83/86/823038386.db2.gz IIGWSZVXFHENKG-UHFFFAOYSA-N 1 0 391.284 4.114 20 0 GIADRO COc1ccccc1-c1ccc([C@@H](C)NC(=O)NCC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000458420692 823038503 /nfs/dbraw/zinc/03/85/03/823038503.db2.gz ATUOOZSGWBHWGS-MOPGFXCFSA-N 1 0 395.547 4.454 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)N2CC(C)(C)[C@@H]3CCC[C@@H]32)[C@@H]1c1cccs1 ZINC000458422485 823038531 /nfs/dbraw/zinc/03/85/31/823038531.db2.gz JFITUFPUNVBLQB-VXIBKDFQSA-N 1 0 375.582 4.351 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)N2CC(C)(C)[C@@H]3CCC[C@H]32)[C@@H]1c1cccs1 ZINC000458422498 823038552 /nfs/dbraw/zinc/03/85/52/823038552.db2.gz JFITUFPUNVBLQB-YWTNHNAXSA-N 1 0 375.582 4.351 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH2+]C[C@H](C[C@H](C)O)c1ccccc1 ZINC000187296995 823038678 /nfs/dbraw/zinc/03/86/78/823038678.db2.gz JJSGYFSALOMAMS-AVRDEDQJSA-N 1 0 376.500 4.402 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)NC2CCC(C(F)F)CC2)[C@@H]1c1cccs1 ZINC000458442171 823040715 /nfs/dbraw/zinc/04/07/15/823040715.db2.gz WAVSYKKLZBKYBB-KXJMLMMSSA-N 1 0 385.524 4.254 20 0 GIADRO CC(C)Cn1ncnc1C[NH2+][C@H]1CCN(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000570458732 823040777 /nfs/dbraw/zinc/04/07/77/823040777.db2.gz AKCFRDDBXFNBLZ-ICSRJNTNSA-N 1 0 393.938 4.040 20 0 GIADRO COc1ccncc1C[N@@H+]1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000570459325 823040864 /nfs/dbraw/zinc/04/08/64/823040864.db2.gz HKTBLWWYMHJFDN-OAHLLOKOSA-N 1 0 384.867 4.173 20 0 GIADRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)Nc1ccc(-c2csnn2)cc1)[NH+](C)C ZINC000570473382 823042769 /nfs/dbraw/zinc/04/27/69/823042769.db2.gz WPOYMOKNPIGFLL-FOIQADDNSA-N 1 0 395.532 4.326 20 0 GIADRO CCc1nnc(-c2ccc(NC(=O)[C@@H](c3ccccc3)[NH+](CC)CC)cc2)o1 ZINC000175798307 823042934 /nfs/dbraw/zinc/04/29/34/823042934.db2.gz ZSVWYZBJHVVKHB-HXUWFJFHSA-N 1 0 378.476 4.321 20 0 GIADRO CC[C@@H](NC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)c1ccncc1 ZINC000187320568 823043002 /nfs/dbraw/zinc/04/30/02/823043002.db2.gz QIOKXFNNYFYBFT-MSOLQXFVSA-N 1 0 394.441 4.154 20 0 GIADRO CN(C(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458462608 823043681 /nfs/dbraw/zinc/04/36/81/823043681.db2.gz RRQQAJCGZZRCJP-OWCLPIDISA-N 1 0 375.479 4.013 20 0 GIADRO C[C@@H]([NH2+]CC(C)(C)c1c(Cl)cccc1Cl)C1CCS(=O)(=O)CC1 ZINC000187327722 823044115 /nfs/dbraw/zinc/04/41/15/823044115.db2.gz XASFSUCOHGXHHK-GFCCVEGCSA-N 1 0 378.365 4.074 20 0 GIADRO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccc(N3CCc4sccc4C3)cc2)C1 ZINC000175803323 823044237 /nfs/dbraw/zinc/04/42/37/823044237.db2.gz BGFPTGVSLVTSKU-HXUWFJFHSA-N 1 0 398.576 4.259 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)CCOc1ccccc1Cl)c1ccsc1 ZINC000060553533 823541738 /nfs/dbraw/zinc/54/17/38/823541738.db2.gz SGYAZRXZXKHLSD-QGZVFWFLSA-N 1 0 380.941 4.370 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(C)cc1-c1nc(C2CC2)no1 ZINC000177889430 823542175 /nfs/dbraw/zinc/54/21/75/823542175.db2.gz JOOBOZAUBWELQQ-SJORKVTESA-N 1 0 395.507 4.013 20 0 GIADRO Cc1ccccc1NC(=O)C[N@H+](Cc1ccc2c(c1)OCO2)C1CCCCC1 ZINC000060562226 823542529 /nfs/dbraw/zinc/54/25/29/823542529.db2.gz CNLVKYODYUJTPN-UHFFFAOYSA-N 1 0 380.488 4.497 20 0 GIADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)C1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC000060567600 823543193 /nfs/dbraw/zinc/54/31/93/823543193.db2.gz XHXXKHZVCMVVGG-ROUUACIJSA-N 1 0 380.454 4.260 20 0 GIADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)/C=C/c2cc(Br)ccc2F)C1 ZINC000060566860 823543244 /nfs/dbraw/zinc/54/32/44/823543244.db2.gz IAYJRHMOTHABFF-RZIFZGNASA-N 1 0 397.332 4.230 20 0 GIADRO CC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(Cl)s1 ZINC000177897241 823543410 /nfs/dbraw/zinc/54/34/10/823543410.db2.gz QJWNKRNQSZXMEX-MRXNPFEDSA-N 1 0 398.981 4.427 20 0 GIADRO Clc1ccccc1-c1ccc(C[NH+]2CCN(CCn3cccn3)CC2)s1 ZINC000060569403 823543445 /nfs/dbraw/zinc/54/34/45/823543445.db2.gz FPGYXGGFKCKTPG-UHFFFAOYSA-N 1 0 386.952 4.083 20 0 GIADRO CC(C)c1ccc(C[C@@H]2CCN(C(=O)NC3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC000460926386 823543743 /nfs/dbraw/zinc/54/37/43/823543743.db2.gz KIQDRVYJHWUNSY-NRFANRHFSA-N 1 0 383.580 4.258 20 0 GIADRO CC1CC[NH+](CCCCNC(=O)C(C)(C)c2ccc(Br)cc2)CC1 ZINC000060577697 823544387 /nfs/dbraw/zinc/54/43/87/823544387.db2.gz AJJJNISKSBVHOZ-UHFFFAOYSA-N 1 0 395.385 4.355 20 0 GIADRO CCN(Cc1c[nH]c2ccccc12)C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC000190163728 823544984 /nfs/dbraw/zinc/54/49/84/823544984.db2.gz SYJSCYBAXQQOIW-QFIPXVFZSA-N 1 0 394.519 4.011 20 0 GIADRO Brc1cccc(C2(C[NH2+]C3Cc4ccccc4C3)CCOCC2)c1 ZINC000177914118 823545642 /nfs/dbraw/zinc/54/56/42/823545642.db2.gz NJTRNLCDCMYRHU-UHFFFAOYSA-N 1 0 386.333 4.254 20 0 GIADRO O=C([C@@H]1CCSc2ccccc21)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000460934844 823545750 /nfs/dbraw/zinc/54/57/50/823545750.db2.gz OPEBXLCYJJQKIE-JOCHJYFZSA-N 1 0 392.568 4.315 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc2c(c1)CCC2 ZINC000177920968 823546534 /nfs/dbraw/zinc/54/65/34/823546534.db2.gz WCHOUIIXUNYHCH-OTWHNJEPSA-N 1 0 392.543 4.276 20 0 GIADRO C[N@@H+]1CC[C@@H](CNC(=O)C2(c3ccccc3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123859134 823546720 /nfs/dbraw/zinc/54/67/20/823546720.db2.gz DMOGIAIQEFYGQZ-JXFKEZNVSA-N 1 0 386.898 4.320 20 0 GIADRO Cc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)cc1Br ZINC000123860980 823546815 /nfs/dbraw/zinc/54/68/15/823546815.db2.gz OYGUBIJIWBNBIK-INIZCTEOSA-N 1 0 381.358 4.132 20 0 GIADRO COc1ccc(CNC(=O)C[NH2+][C@@H](C)c2ccc(SCC(F)F)cc2)cc1 ZINC000177924363 823546847 /nfs/dbraw/zinc/54/68/47/823546847.db2.gz OXECECFMQJRTCC-AWEZNQCLSA-N 1 0 394.487 4.019 20 0 GIADRO CC(=O)Nc1ccc(C(=O)N(CCC[NH+]2CCCC2)c2ccc(Cl)cc2)cc1 ZINC000411105497 823547125 /nfs/dbraw/zinc/54/71/25/823547125.db2.gz XDGVEPDCKUGDCJ-UHFFFAOYSA-N 1 0 399.922 4.431 20 0 GIADRO O=C(c1ccnc(C2CC2)n1)N(CCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000411105679 823547201 /nfs/dbraw/zinc/54/72/01/823547201.db2.gz XZHKRSWDYMSGHP-UHFFFAOYSA-N 1 0 384.911 4.140 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+][C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000123869873 823547908 /nfs/dbraw/zinc/54/79/08/823547908.db2.gz ZNYGYFPWZGPCAX-BEFAXECRSA-N 1 0 398.576 4.345 20 0 GIADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C2(c3cccc(C(F)(F)F)c3)CCC2)C1 ZINC000460945847 823548071 /nfs/dbraw/zinc/54/80/71/823548071.db2.gz ADBKEUMSJBDDRH-MRXNPFEDSA-N 1 0 382.470 4.364 20 0 GIADRO C[C@H](C(=O)NCC1CC[NH+](Cc2cccs2)CC1)c1ccc(F)c(F)c1 ZINC000460946094 823548233 /nfs/dbraw/zinc/54/82/33/823548233.db2.gz XRCIIXWCVOUCEE-AWEZNQCLSA-N 1 0 378.488 4.158 20 0 GIADRO C[C@H]([NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccc(N2CCOC2=O)cc1 ZINC000177937270 823548346 /nfs/dbraw/zinc/54/83/46/823548346.db2.gz HRWKORODTOTYNG-NYHFZMIOSA-N 1 0 394.471 4.216 20 0 GIADRO CC[C@H](NC(=O)N(CC)CCC[NH+]1CCCC1)c1nc(C(F)(F)F)cs1 ZINC000190197339 823549647 /nfs/dbraw/zinc/54/96/47/823549647.db2.gz WAFHGNAPQNZCMV-ZDUSSCGKSA-N 1 0 392.491 4.130 20 0 GIADRO COc1ccc([C@@H](C)[N@H+](C)CCC(=O)Nc2ccccc2Br)cc1 ZINC000411129091 823550568 /nfs/dbraw/zinc/55/05/68/823550568.db2.gz UPBYPSVHGQAGMR-CQSZACIVSA-N 1 0 391.309 4.479 20 0 GIADRO Cc1nn(C)c2ncc(C[NH2+][C@H](COCc3ccccc3)c3ccccc3)cc12 ZINC000123901594 823550172 /nfs/dbraw/zinc/55/01/72/823550172.db2.gz NSYVEPAKNAHUGE-HSZRJFAPSA-N 1 0 386.499 4.324 20 0 GIADRO CSC1(CNC(=O)c2cc3c(cc(Cl)cc3Cl)[nH]2)CC[NH+](C)CC1 ZINC000460959274 823550835 /nfs/dbraw/zinc/55/08/35/823550835.db2.gz CWUCWAOMTYZIAZ-UHFFFAOYSA-N 1 0 386.348 4.032 20 0 GIADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2ccc(OCc3ccccn3)cc2)C1 ZINC000460961332 823551268 /nfs/dbraw/zinc/55/12/68/823551268.db2.gz UYZTZOTVLQHDSL-RTBURBONSA-N 1 0 395.547 4.147 20 0 GIADRO CC(C)CC(=O)Nc1ccc(C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cc1F ZINC000460965256 823552052 /nfs/dbraw/zinc/55/20/52/823552052.db2.gz YLAAOOJVIHLSPR-OPAMFIHVSA-N 1 0 391.531 4.051 20 0 GIADRO Cc1cc(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)ccc1NC(=O)CC(C)C ZINC000460967267 823552531 /nfs/dbraw/zinc/55/25/31/823552531.db2.gz CKOULDMIEOTSOD-QGZVFWFLSA-N 1 0 387.568 4.220 20 0 GIADRO CCSc1cc(Cl)ccc1C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000460973424 823553662 /nfs/dbraw/zinc/55/36/62/823553662.db2.gz WDYBIUMHXCLLPL-UHFFFAOYSA-N 1 0 392.952 4.322 20 0 GIADRO CC(=O)c1ccc(C(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000123940682 823553666 /nfs/dbraw/zinc/55/36/66/823553666.db2.gz PDDLROMGPYDZID-FXAWDEMLSA-N 1 0 388.870 4.105 20 0 GIADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC000460973606 823553711 /nfs/dbraw/zinc/55/37/11/823553711.db2.gz NMFIZCOQFHVCGA-QGZVFWFLSA-N 1 0 380.454 4.260 20 0 GIADRO CC(C)c1ccc(C[C@@H]2CC[N@H+](Cc3nc4ccccc4c(=O)n3C)C2)cc1 ZINC000460975357 823554069 /nfs/dbraw/zinc/55/40/69/823554069.db2.gz FURRAQGFLBLFLT-IBGZPJMESA-N 1 0 375.516 4.122 20 0 GIADRO Cc1ccc(-c2n[nH]cc2CNc2cccc(N3CC[NH+](CC4CC4)CC3)c2)o1 ZINC000123951346 823554777 /nfs/dbraw/zinc/55/47/77/823554777.db2.gz SGYAXNNNEGJBCJ-UHFFFAOYSA-N 1 0 391.519 4.122 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@H]1CCSc2ccccc21 ZINC000460978155 823554789 /nfs/dbraw/zinc/55/47/89/823554789.db2.gz HXVRGQZODBPEAZ-FQEVSTJZSA-N 1 0 384.520 4.186 20 0 GIADRO FC(F)(F)Oc1cccc(C[NH2+]CCc2nc(-c3ccccn3)cs2)c1 ZINC000123954970 823555043 /nfs/dbraw/zinc/55/50/43/823555043.db2.gz LLJVKVUJUGWMKQ-UHFFFAOYSA-N 1 0 379.407 4.436 20 0 GIADRO C[N@@H+]1CC[C@H](CNC(=O)CCc2ccsc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123956536 823555320 /nfs/dbraw/zinc/55/53/20/823555320.db2.gz UOCJAGFBVVDOBL-BEFAXECRSA-N 1 0 380.916 4.282 20 0 GIADRO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@H](Cc2ccc(C(C)C)cc2)C1 ZINC000460981606 823555354 /nfs/dbraw/zinc/55/53/54/823555354.db2.gz HYKGPHJKWXDSDH-AZUAARDMSA-N 1 0 382.552 4.052 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)[C@H](C)c1cccc(F)c1)[NH+]1CCCCC1 ZINC000460983733 823555864 /nfs/dbraw/zinc/55/58/64/823555864.db2.gz LFWIAWJXYDFJRV-DYESRHJHSA-N 1 0 384.495 4.281 20 0 GIADRO Cc1cc(C(=O)N2CC[NH+](CCC(C)(C)C)CC2)ccc1NC(=O)CC(C)C ZINC000460986922 823556141 /nfs/dbraw/zinc/55/61/41/823556141.db2.gz QWLYYIYBIWHVGN-UHFFFAOYSA-N 1 0 387.568 4.174 20 0 GIADRO O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1CCSc2ccccc21 ZINC000460997063 823556912 /nfs/dbraw/zinc/55/69/12/823556912.db2.gz RNAGALAIMYKJES-OAQYLSRUSA-N 1 0 396.556 4.057 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@H]1C[C@@]1(F)c1ccccc1 ZINC000411201747 823556958 /nfs/dbraw/zinc/55/69/58/823556958.db2.gz SMPRDOGJJHRIBJ-IFMALSPDSA-N 1 0 386.898 4.306 20 0 GIADRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cc(NC(=O)CC(C)(C)C)ccc1Cl ZINC000461000570 823557330 /nfs/dbraw/zinc/55/73/30/823557330.db2.gz LQHNJNGOOMLMGI-CQSZACIVSA-N 1 0 381.948 4.175 20 0 GIADRO CCc1ccc2nc(NC(=O)C3CC[NH+]([C@H]4CCSC4)CC3)sc2c1 ZINC000411205286 823557411 /nfs/dbraw/zinc/55/74/11/823557411.db2.gz FMXCSTWGGUNYJA-HNNXBMFYSA-N 1 0 375.563 4.015 20 0 GIADRO Cc1cc(C)c(Br)c(C(=O)Nc2ccc(CC[NH+](C)C)cc2)c1 ZINC000461010869 823558585 /nfs/dbraw/zinc/55/85/85/823558585.db2.gz YASRRQFANXHYCJ-UHFFFAOYSA-N 1 0 375.310 4.422 20 0 GIADRO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C[N@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000411224308 823558655 /nfs/dbraw/zinc/55/86/55/823558655.db2.gz KYLCONZBDRATET-SMDDNHRTSA-N 1 0 397.466 4.223 20 0 GIADRO COc1ccc2ccccc2c1C[NH2+]C[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000060818178 823559610 /nfs/dbraw/zinc/55/96/10/823559610.db2.gz QVAOMDVSAMIIHQ-HSZRJFAPSA-N 1 0 394.490 4.151 20 0 GIADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)N[C@H](COC)c1cccc(Cl)c1)c1ccco1 ZINC000461019722 823560101 /nfs/dbraw/zinc/56/01/01/823560101.db2.gz AWDYKQFEDAJAAS-JCGIZDLHSA-N 1 0 393.915 4.049 20 0 GIADRO COc1ccc(Br)cc1C[NH2+]CCCn1c(C)nc2ccccc21 ZINC000060831459 823560759 /nfs/dbraw/zinc/56/07/59/823560759.db2.gz PERZKWRGHVRXSB-UHFFFAOYSA-N 1 0 388.309 4.296 20 0 GIADRO CCc1ccc([C@@H](C[NH2+]Cc2ccc(OC(F)F)c(OC)c2)N(C)C)cc1 ZINC000060831887 823560975 /nfs/dbraw/zinc/56/09/75/823560975.db2.gz DGNOPAWMDSQBBM-GOSISDBHSA-N 1 0 378.463 4.252 20 0 GIADRO O=C(N[C@@H](Cc1ccccc1)c1ccccc1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000411274808 823561578 /nfs/dbraw/zinc/56/15/78/823561578.db2.gz XMMRJZOQBONMOK-GOTSBHOMSA-N 1 0 394.584 4.304 20 0 GIADRO O=C(CC[N@@H+]1CCC[C@H]1c1nc2ccccc2s1)NC(=O)Nc1ccccc1 ZINC000060845411 823561726 /nfs/dbraw/zinc/56/17/26/823561726.db2.gz AHDALNAYDZTYME-KRWDZBQOSA-N 1 0 394.500 4.172 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000411278787 823561909 /nfs/dbraw/zinc/56/19/09/823561909.db2.gz ASPRQDAYEDFSSL-INIZCTEOSA-N 1 0 396.922 4.085 20 0 GIADRO Cc1ccccc1[C@@H](NC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(C)c1)C(C)(C)C ZINC000411288431 823562409 /nfs/dbraw/zinc/56/24/09/823562409.db2.gz DDFZEOLEJPUXNH-OAQYLSRUSA-N 1 0 395.547 4.207 20 0 GIADRO CC(=O)c1c(C)[nH]c(C(=O)CN(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1C ZINC000411304181 823563353 /nfs/dbraw/zinc/56/33/53/823563353.db2.gz BNXDRXYLRRUWAO-HRAATJIYSA-N 1 0 395.547 4.002 20 0 GIADRO CCOCC[N@@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)C[C@@H]1CC ZINC000461039606 823563654 /nfs/dbraw/zinc/56/36/54/823563654.db2.gz XHUXKXIIWXNZMY-GBESFXJTSA-N 1 0 399.362 4.056 20 0 GIADRO FC(F)(F)c1ccc([C@H]2C[N@H+](CC3CCC4(CC3)OCCO4)CCO2)cc1 ZINC000190331233 823563723 /nfs/dbraw/zinc/56/37/23/823563723.db2.gz NITROKLWNSBKDO-GOSISDBHSA-N 1 0 385.426 4.012 20 0 GIADRO CCOC(=O)c1csc(CC[NH2+]Cc2ccc(-c3ccc(F)cc3C)o2)n1 ZINC000190337540 823564528 /nfs/dbraw/zinc/56/45/28/823564528.db2.gz OJJJINZVNJTEPS-UHFFFAOYSA-N 1 0 388.464 4.360 20 0 GIADRO CC(C)(C)C[C@@H]1CCC[N@@H+]1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000060889787 823564905 /nfs/dbraw/zinc/56/49/05/823564905.db2.gz CYPSLEBQKFJUHC-HNNXBMFYSA-N 1 0 388.371 4.123 20 0 GIADRO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(-c4ncco4)cc3F)C2)n1 ZINC000411335922 823565008 /nfs/dbraw/zinc/56/50/08/823565008.db2.gz FJLWJPUMIBQAJC-SFHVURJKSA-N 1 0 394.450 4.035 20 0 GIADRO CCOC(=O)c1csc(CC[NH2+]C[C@@H](C)c2cccc(Br)c2)n1 ZINC000190350598 823565595 /nfs/dbraw/zinc/56/55/95/823565595.db2.gz KOXNTXHVZVTDEE-GFCCVEGCSA-N 1 0 397.338 4.018 20 0 GIADRO Brc1cccc(-c2nc(C[NH2+][C@@H]3C[C@@H]4OCCC[C@H]34)cs2)c1 ZINC000190356271 823565812 /nfs/dbraw/zinc/56/58/12/823565812.db2.gz CNBCCINOCQADPD-OAGGEKHMSA-N 1 0 379.323 4.230 20 0 GIADRO CC(C)NC(=O)Nc1ccc(C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)cc1 ZINC000124084728 823566141 /nfs/dbraw/zinc/56/61/41/823566141.db2.gz KGFLEBKHNVYHJC-UHFFFAOYSA-N 1 0 389.540 4.207 20 0 GIADRO CCC[N@H+](C[C@@H]1CCCCO1)[C@@H](C)C(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000411362743 823566462 /nfs/dbraw/zinc/56/64/62/823566462.db2.gz CCFHFIHBGLFNQE-FPOVZHCZSA-N 1 0 398.551 4.097 20 0 GIADRO CC(C)([NH2+]CCC(=O)N[C@@H](c1cccs1)c1ccccc1)c1nccs1 ZINC000411375793 823567326 /nfs/dbraw/zinc/56/73/26/823567326.db2.gz ROICXSZIOMTQRH-GOSISDBHSA-N 1 0 385.558 4.325 20 0 GIADRO Cc1cc(NC(=O)C(=O)Nc2cccc(OCCC(C)C)c2)ccc1C[NH+](C)C ZINC000411381369 823567988 /nfs/dbraw/zinc/56/79/88/823567988.db2.gz CLKZERKVPYCHPK-UHFFFAOYSA-N 1 0 397.519 4.059 20 0 GIADRO COc1ccc(CN(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)C2CC2)cc1 ZINC000124106215 823568057 /nfs/dbraw/zinc/56/80/57/823568057.db2.gz DTOHAETXQBJWHH-UHFFFAOYSA-N 1 0 395.547 4.410 20 0 GIADRO CCOC(=O)c1c(NC(=O)c2ccoc2C)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC000060944446 823568505 /nfs/dbraw/zinc/56/85/05/823568505.db2.gz VHCLTZXGZMMYKW-UHFFFAOYSA-N 1 0 390.505 4.238 20 0 GIADRO Cc1ccc(Br)cc1C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000461064338 823568560 /nfs/dbraw/zinc/56/85/60/823568560.db2.gz RRRFFSDYYPWGES-IRXDYDNUSA-N 1 0 393.369 4.484 20 0 GIADRO CCC(CC)(CC(=O)OC)[NH2+]CCC(=O)Nc1c(Cl)cccc1Cl ZINC000411387856 823568721 /nfs/dbraw/zinc/56/87/21/823568721.db2.gz JXYKXBDKQVYRQB-UHFFFAOYSA-N 1 0 375.296 4.034 20 0 GIADRO CCN(Cc1cccc(NC(=O)c2cccc(C[NH+]3CCCCC3)c2)c1)C(C)=O ZINC000411391528 823569225 /nfs/dbraw/zinc/56/92/25/823569225.db2.gz ZXYDLYUAAVTMGI-UHFFFAOYSA-N 1 0 393.531 4.293 20 0 GIADRO CCC(CC)(CC(=O)OC)[NH2+]Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000411393887 823569591 /nfs/dbraw/zinc/56/95/91/823569591.db2.gz SGBOFHHTHFAESM-UHFFFAOYSA-N 1 0 399.516 4.275 20 0 GIADRO CN(Cc1ccc(Br)o1)C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000411394443 823569616 /nfs/dbraw/zinc/56/96/16/823569616.db2.gz BLLJONMMMFBAJR-UHFFFAOYSA-N 1 0 391.309 4.300 20 0 GIADRO CC[C@@](C)(COc1ncccc1Cl)[NH2+]CCC(=O)Nc1ccccc1F ZINC000411402106 823570458 /nfs/dbraw/zinc/57/04/58/823570458.db2.gz RZFIBGJIRUHVOK-IBGZPJMESA-N 1 0 379.863 4.040 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)Nc1ccc(F)cc1F ZINC000060975174 823570637 /nfs/dbraw/zinc/57/06/37/823570637.db2.gz UDWWBSWUSXZJHA-UHFFFAOYSA-N 1 0 377.460 4.200 20 0 GIADRO Fc1cccc(Cl)c1[C@H](C[NH2+]Cc1cccc2c1OCO2)N1CCCC1 ZINC000060975612 823570708 /nfs/dbraw/zinc/57/07/08/823570708.db2.gz YFSYSHXYDLRPPI-KRWDZBQOSA-N 1 0 376.859 4.135 20 0 GIADRO COc1ccc(C)cc1NC(=O)[C@H]([NH2+]C[C@@](C)(OC)C1CC1)c1ccccc1 ZINC000461076159 823571166 /nfs/dbraw/zinc/57/11/66/823571166.db2.gz OOUSCHXAQOJFSW-FYYLOGMGSA-N 1 0 382.504 4.088 20 0 GIADRO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000411413761 823571512 /nfs/dbraw/zinc/57/15/12/823571512.db2.gz AIAGWQDGHSIIRF-INIZCTEOSA-N 1 0 381.307 4.499 20 0 GIADRO C[C@@H]1CCc2c(sc3nc(CC[N@@H+]4CCC[C@@H]4c4ccncc4)nc(N)c23)C1 ZINC000411415897 823571648 /nfs/dbraw/zinc/57/16/48/823571648.db2.gz KLBHDRJDWYJLTM-RHSMWYFYSA-N 1 0 393.560 4.173 20 0 GIADRO C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CCC(c2ccncc2)CC1)c1ccccc1 ZINC000190423052 823571664 /nfs/dbraw/zinc/57/16/64/823571664.db2.gz ZHWOEHXZLYDZKA-GOSISDBHSA-N 1 0 380.536 4.100 20 0 GIADRO CCN1CCC[C@H]1C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000061012597 823572596 /nfs/dbraw/zinc/57/25/96/823572596.db2.gz HHHNNEXRSDJIEF-FQEVSTJZSA-N 1 0 380.561 4.234 20 0 GIADRO COc1cccc(CN(C)C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)c1 ZINC000061011825 823572606 /nfs/dbraw/zinc/57/26/06/823572606.db2.gz FWWUYEOSLXJXIR-UHFFFAOYSA-N 1 0 395.547 4.413 20 0 GIADRO C[C@H]1CCc2c(sc3nc(CC[N@@H+]4CCC[C@H]4c4cccnc4)nc(N)c23)C1 ZINC000411424194 823572767 /nfs/dbraw/zinc/57/27/67/823572767.db2.gz VZWFLDMTSNDKTI-YOEHRIQHSA-N 1 0 393.560 4.173 20 0 GIADRO CCC[NH+]1CCC(NCc2cn(-c3ccccc3)nc2-c2ccc(C)o2)CC1 ZINC000061016443 823573044 /nfs/dbraw/zinc/57/30/44/823573044.db2.gz CEZBXRAPHYBBJD-UHFFFAOYSA-N 1 0 378.520 4.405 20 0 GIADRO CSC[C@@H](CCO)[NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000124159605 823573151 /nfs/dbraw/zinc/57/31/51/823573151.db2.gz VXXUJIBCTFNGAO-CYBMUJFWSA-N 1 0 376.469 4.033 20 0 GIADRO COc1cc(C[N@H+](CCc2nc(-c3cccc(Cl)c3)no2)C2CC2)ccc1O ZINC000411429345 823573207 /nfs/dbraw/zinc/57/32/07/823573207.db2.gz XAWMKMKOSBTIGX-UHFFFAOYSA-N 1 0 399.878 4.311 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCCCOC2CCCC2)cc1 ZINC000061017591 823573324 /nfs/dbraw/zinc/57/33/24/823573324.db2.gz HWRQZMIVWPEBSG-LJQANCHMSA-N 1 0 387.568 4.210 20 0 GIADRO CC(C)[N@H+](CCC(=O)OC(C)(C)C)Cc1nnc(-c2ccccc2Cl)o1 ZINC000411433261 823573770 /nfs/dbraw/zinc/57/37/70/823573770.db2.gz XRVJYTHACHZYIY-UHFFFAOYSA-N 1 0 379.888 4.332 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(Br)cn2)cc1OCC ZINC000411436331 823573956 /nfs/dbraw/zinc/57/39/56/823573956.db2.gz HCCRAUNCGPNZIA-ZDUSSCGKSA-N 1 0 379.298 4.492 20 0 GIADRO Cn1ccnc1C[C@@H]1CCC[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000411434739 823573976 /nfs/dbraw/zinc/57/39/76/823573976.db2.gz ZJTHNJNVIKHATF-AWEZNQCLSA-N 1 0 395.334 4.010 20 0 GIADRO Cc1ncsc1CCC(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000411443252 823574578 /nfs/dbraw/zinc/57/45/78/823574578.db2.gz BTSDXGWPKULHNH-IAGOWNOFSA-N 1 0 385.577 4.178 20 0 GIADRO COc1ccc2c(c1)CCC[C@H]2C[NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000124176474 823574692 /nfs/dbraw/zinc/57/46/92/823574692.db2.gz FFBYUARQDBFSIY-APWZRJJASA-N 1 0 380.488 4.423 20 0 GIADRO O=C(NCc1ncc(-c2ccccc2)o1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000061041771 823574938 /nfs/dbraw/zinc/57/49/38/823574938.db2.gz YCOIDNMSTFMOOE-UHFFFAOYSA-N 1 0 396.535 4.330 20 0 GIADRO COCCOc1cccc(C[NH2+][C@@H](C)c2ccc(Br)cc2OC)c1 ZINC000190446069 823575322 /nfs/dbraw/zinc/57/53/22/823575322.db2.gz GWTBFXGSEFBNIV-AWEZNQCLSA-N 1 0 394.309 4.334 20 0 GIADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C(=O)Nc2ccccc2)c2ccccc2)C[C@H]1C ZINC000461094167 823575552 /nfs/dbraw/zinc/57/55/52/823575552.db2.gz JWBTYKDFWBBSRL-XYEHWOGUSA-N 1 0 394.515 4.324 20 0 GIADRO FC(F)SCc1ccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)o1 ZINC000124185918 823575606 /nfs/dbraw/zinc/57/56/06/823575606.db2.gz VDKMFZMUEIEBMU-AWEZNQCLSA-N 1 0 396.507 4.433 20 0 GIADRO COC(=O)c1ccc(C[NH2+][C@@H](c2ccc(Br)cc2)C2CCC2)nc1 ZINC000411452584 823576199 /nfs/dbraw/zinc/57/61/99/823576199.db2.gz IVJXXLMKUPNNTG-GOSISDBHSA-N 1 0 389.293 4.262 20 0 GIADRO CC[NH+](CC)CCN(C(=O)[C@@H]1CCC(=O)[C@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000461096876 823576275 /nfs/dbraw/zinc/57/62/75/823576275.db2.gz WCPGJGCLPRFZEJ-HZPDHXFCSA-N 1 0 398.469 4.386 20 0 GIADRO COc1ccc([C@@H](Cc2ccccc2)NC(=O)c2cccc(C[NH+](C)C)c2)cc1 ZINC000461097119 823576304 /nfs/dbraw/zinc/57/63/04/823576304.db2.gz ILMLBXKCKQASIG-XMMPIXPASA-N 1 0 388.511 4.471 20 0 GIADRO CSc1ccccc1NC(=O)CC[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000411453737 823576480 /nfs/dbraw/zinc/57/64/80/823576480.db2.gz KNCWUOQXJSTRHO-INIZCTEOSA-N 1 0 397.544 4.215 20 0 GIADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)CCCc2ncc(-c3ccccc3)o2)C1 ZINC000124202647 823577117 /nfs/dbraw/zinc/57/71/17/823577117.db2.gz RSKIFHZHPFKQCS-LJQANCHMSA-N 1 0 383.536 4.149 20 0 GIADRO O=C(NCCCC[NH+]1CCC(Cc2ccccc2)CC1)[C@@H]1Cc2ccccc21 ZINC000461101453 823577491 /nfs/dbraw/zinc/57/74/91/823577491.db2.gz MDNIGLJRTQHCGU-XMMPIXPASA-N 1 0 376.544 4.177 20 0 GIADRO CO[C@]1(C[NH2+][C@@H](c2ccccc2)c2cc(Br)ccc2F)CCOC1 ZINC000461102456 823577667 /nfs/dbraw/zinc/57/76/67/823577667.db2.gz PBXFAVKOLDURFN-OALUTQOASA-N 1 0 394.284 4.073 20 0 GIADRO CO[C@@]1(C[NH2+][C@H](CCSc2ccccc2)c2ccc(F)cc2)CCOC1 ZINC000461102648 823577913 /nfs/dbraw/zinc/57/79/13/823577913.db2.gz KIJQLVBXHJSSPH-NHCUHLMSSA-N 1 0 375.509 4.444 20 0 GIADRO O=C(C[NH2+][C@H](c1ccccc1)[C@@H]1CCOC1)Nc1nc(-c2cccs2)cs1 ZINC000411464832 823577932 /nfs/dbraw/zinc/57/79/32/823577932.db2.gz VOQZOXWTAZRJGX-DNVCBOLYSA-N 1 0 399.541 4.178 20 0 GIADRO CO[C@]1(C[NH2+][C@@H](c2cccc(SC)c2)c2ccc(F)c(F)c2)CCOC1 ZINC000461105420 823578422 /nfs/dbraw/zinc/57/84/22/823578422.db2.gz ZZETZFQDLDCQRX-PMACEKPBSA-N 1 0 379.472 4.171 20 0 GIADRO Cc1c2cc(Br)ccc2oc1C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000124231023 823579435 /nfs/dbraw/zinc/57/94/35/823579435.db2.gz ZKMSUCZLBGVVPS-RISCZKNCSA-N 1 0 379.298 4.058 20 0 GIADRO CC[C@H]([NH2+][C@@H]1CCCN(Cc2ccccn2)C1=O)c1cccc(Cl)c1F ZINC000461111937 823579748 /nfs/dbraw/zinc/57/97/48/823579748.db2.gz UVUXBDDZRQAPMQ-ZWKOTPCHSA-N 1 0 375.875 4.106 20 0 GIADRO CSc1ccccc1NC(=O)CC[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000411480941 823579774 /nfs/dbraw/zinc/57/97/74/823579774.db2.gz WVIOAHHVXNYIBK-PXNSSMCTSA-N 1 0 384.545 4.495 20 0 GIADRO COc1ccc(CCCC(=O)N2c3ccc(C)cc3[C@H]3C[N@@H+](C)CC[C@@H]32)cc1 ZINC000061135713 823580034 /nfs/dbraw/zinc/58/00/34/823580034.db2.gz FFBDYDHDFUGUKY-GGAORHGYSA-N 1 0 378.516 4.161 20 0 GIADRO Cc1ccc([C@H](C)N(C)C(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)cc1 ZINC000061139453 823580336 /nfs/dbraw/zinc/58/03/36/823580336.db2.gz HBUUIUFOTJGKPM-FQEVSTJZSA-N 1 0 379.548 4.359 20 0 GIADRO CC(C)(COc1ncccc1C(F)(F)F)[NH2+]CCC(=O)Nc1ccccc1F ZINC000411489035 823580810 /nfs/dbraw/zinc/58/08/10/823580810.db2.gz JUBJKRJXFARFAN-UHFFFAOYSA-N 1 0 399.388 4.015 20 0 GIADRO CC(C)[C@@H](NCc1cccc(C[NH+]2CCCCC2)c1)c1nnc2ccccn21 ZINC000411497363 823581475 /nfs/dbraw/zinc/58/14/75/823581475.db2.gz ZBGHVBJXNYAIQQ-JOCHJYFZSA-N 1 0 377.536 4.202 20 0 GIADRO O=C(CC[NH2+][C@H](c1cccnc1)C1CC1)Nc1ccc(Br)cc1F ZINC000411505630 823582196 /nfs/dbraw/zinc/58/21/96/823582196.db2.gz ONUKYFXIWRWUPE-SFHVURJKSA-N 1 0 392.272 4.053 20 0 GIADRO CCc1cnccc1[C@@H](C)[NH2+]CCC(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000411506987 823582224 /nfs/dbraw/zinc/58/22/24/823582224.db2.gz RAVHLJKTQFVEJW-MRXNPFEDSA-N 1 0 391.519 4.126 20 0 GIADRO O=C(CC[NH2+][C@@H](c1cccnc1)C1CC1)N[C@@H](c1cccs1)c1ccccc1 ZINC000411507656 823582365 /nfs/dbraw/zinc/58/23/65/823582365.db2.gz SGBREMZWUGBWCL-DHIUTWEWSA-N 1 0 391.540 4.480 20 0 GIADRO CCc1ccc([C@H](COC)[NH2+]CCC(=O)Nc2cc(Cl)ccc2Cl)o1 ZINC000411511965 823582702 /nfs/dbraw/zinc/58/27/02/823582702.db2.gz KQLRLKZUAHRASX-INIZCTEOSA-N 1 0 385.291 4.455 20 0 GIADRO COc1ccc(CCCC(=O)Nc2ccc(N(C)C3CC[NH+](C)CC3)cc2)cc1 ZINC000061186908 823582715 /nfs/dbraw/zinc/58/27/15/823582715.db2.gz PKBVOKAVKBIGRW-UHFFFAOYSA-N 1 0 395.547 4.187 20 0 GIADRO CC(C)[C@@H](CCO)[NH2+]Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1 ZINC000411514858 823583245 /nfs/dbraw/zinc/58/32/45/823583245.db2.gz SXKVEKPRAXKNNC-OAHLLOKOSA-N 1 0 391.924 4.214 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CC(=O)N(C)Cc1cccs1 ZINC000411519333 823583995 /nfs/dbraw/zinc/58/39/95/823583995.db2.gz LYLWQQYEPKNYCA-AWEZNQCLSA-N 1 0 385.558 4.489 20 0 GIADRO CS[C@@H]1CN([C@H](C)c2nc3ccccc3n2C(F)F)C[C@@H]1[NH+]1CCCC1 ZINC000411525966 823584661 /nfs/dbraw/zinc/58/46/61/823584661.db2.gz NKKNHRCJNXYSLD-XOKHGSTOSA-N 1 0 380.508 4.004 20 0 GIADRO COc1cccc([C@@H](CNC(=O)N[C@@H](CC(C)C)c2ccccc2)[NH+](C)C)c1 ZINC000061221185 823585137 /nfs/dbraw/zinc/58/51/37/823585137.db2.gz AUABBXMULJERBD-FCHUYYIVSA-N 1 0 383.536 4.385 20 0 GIADRO C[C@@H]1C[C@H](c2cccnc2)[N@H+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000411532697 823585399 /nfs/dbraw/zinc/58/53/99/823585399.db2.gz ZOCATLSMYQNBHO-RDTXWAMCSA-N 1 0 388.309 4.256 20 0 GIADRO C[C@@H]([NH2+]CCC(=O)Nc1c(Cl)cccc1Cl)[C@H]1COc2ccccc21 ZINC000411533227 823585606 /nfs/dbraw/zinc/58/56/06/823585606.db2.gz MEBHJHQSIIHPMJ-TZMCWYRMSA-N 1 0 379.287 4.476 20 0 GIADRO Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)c3ccc(C[NH+]4CCCC4)cc3)nc2c1 ZINC000061231286 823585885 /nfs/dbraw/zinc/58/58/85/823585885.db2.gz CXZLWJIXTHVNKQ-QFIPXVFZSA-N 1 0 388.515 4.444 20 0 GIADRO CCCCCNC(=O)C[NH2+][C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000411538707 823586267 /nfs/dbraw/zinc/58/62/67/823586267.db2.gz WLGZNEXNPZJBSP-AWEZNQCLSA-N 1 0 375.538 4.084 20 0 GIADRO O=C(NCCC[NH+]1CCCC1)c1oc2ccccc2c1COc1ccccc1 ZINC000061238912 823586502 /nfs/dbraw/zinc/58/65/02/823586502.db2.gz DZHAZBOGSWMXAS-UHFFFAOYSA-N 1 0 378.472 4.228 20 0 GIADRO CSc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2nc(C(C)(C)C)cs2)cc1 ZINC000411539479 823586543 /nfs/dbraw/zinc/58/65/43/823586543.db2.gz XWYMKSRGUNLQHL-KBPBESRZSA-N 1 0 380.579 4.253 20 0 GIADRO CCCCc1ccc([C@@H](NC(=S)NCC[NH+](C)C)c2cccs2)cc1 ZINC000061252122 823587250 /nfs/dbraw/zinc/58/72/50/823587250.db2.gz RJBJMJFAMKZREX-LJQANCHMSA-N 1 0 375.607 4.206 20 0 GIADRO Cn1c2ccccc2nc1C(C)(C)[NH2+]CCC(=O)Nc1ccc(Cl)cc1F ZINC000411548089 823587391 /nfs/dbraw/zinc/58/73/91/823587391.db2.gz XJCXQVIDPRJQGT-UHFFFAOYSA-N 1 0 388.874 4.219 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(-c2ncco2)cc1F ZINC000411552179 823587637 /nfs/dbraw/zinc/58/76/37/823587637.db2.gz OMMRLSAAAWOUKM-VGOFRKELSA-N 1 0 379.479 4.481 20 0 GIADRO Cn1cc([C@@H](NCc2cccc(C[NH+]3CCCCC3)c2)c2ccc(F)cc2)cn1 ZINC000411553588 823587737 /nfs/dbraw/zinc/58/77/37/823587737.db2.gz JHKGNVXVAYDOGF-DEOSSOPVSA-N 1 0 392.522 4.424 20 0 GIADRO OC1(Cc2ccc(F)cc2)CC[NH+](Cc2ccc(-c3ncco3)cc2F)CC1 ZINC000411555205 823587854 /nfs/dbraw/zinc/58/78/54/823587854.db2.gz MQLCKLJTJZNZEG-UHFFFAOYSA-N 1 0 384.426 4.189 20 0 GIADRO CCC[N@H+](CCc1cccs1)[C@@H](C)C(=O)Nc1ccc(OC)cc1OC ZINC000411556214 823587872 /nfs/dbraw/zinc/58/78/72/823587872.db2.gz UBBXOUUXGZDQJU-HNNXBMFYSA-N 1 0 376.522 4.047 20 0 GIADRO O=C(CC[NH2+][C@@H]1CCCC[C@@H]1n1cccn1)Nc1cc(Cl)ccc1Cl ZINC000411558618 823587995 /nfs/dbraw/zinc/58/79/95/823587995.db2.gz LZEFPKURHHQSRT-WBVHZDCISA-N 1 0 381.307 4.292 20 0 GIADRO C[N@H+](Cn1ccc(=S)c2ccccc21)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000190579606 823588081 /nfs/dbraw/zinc/58/80/81/823588081.db2.gz IEJGOTAIRDXRRQ-HXUWFJFHSA-N 1 0 377.513 4.061 20 0 GIADRO CC(C)C(=O)N1CCC([NH2+][C@H](c2ccc(Br)s2)C2CC2)CC1 ZINC000190581259 823588267 /nfs/dbraw/zinc/58/82/67/823588267.db2.gz FGIVFNYNNHCYBY-INIZCTEOSA-N 1 0 385.371 4.198 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)c2cccc(OCc3noc(C)n3)c2)cc1 ZINC000190583397 823588421 /nfs/dbraw/zinc/58/84/21/823588421.db2.gz NOJANVXMUDGXFG-UHFFFAOYSA-N 1 0 394.475 4.051 20 0 GIADRO CNC(=O)c1cccc(C[NH2+][C@H](c2ccc(Br)s2)C2CC2)c1 ZINC000190593428 823589333 /nfs/dbraw/zinc/58/93/33/823589333.db2.gz NMUBSUXFIZDZCZ-INIZCTEOSA-N 1 0 379.323 4.111 20 0 GIADRO O=C(NCCc1cccs1)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000061285125 823589393 /nfs/dbraw/zinc/58/93/93/823589393.db2.gz PQHOCMKYSNPOIH-SFHVURJKSA-N 1 0 377.941 4.080 20 0 GIADRO CC(C)c1c(NC2CC[NH+](Cc3ccncc3)CC2)cnn1-c1ccccc1 ZINC000190599262 823590061 /nfs/dbraw/zinc/59/00/61/823590061.db2.gz WNOWBBKJVSUJPB-UHFFFAOYSA-N 1 0 375.520 4.467 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)c1cc(F)c(F)cc1Cl ZINC000061289444 823590149 /nfs/dbraw/zinc/59/01/49/823590149.db2.gz IDNWUAHVPOJMJO-UHFFFAOYSA-N 1 0 396.890 4.462 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)c2cc(C3CC3)nc3onc(CC(C)(C)C)c32)CC[N@@H+]1C ZINC000124363958 823590481 /nfs/dbraw/zinc/59/04/81/823590481.db2.gz NAGMMGCBYXVQQV-GOEBONIOSA-N 1 0 398.551 4.244 20 0 GIADRO Cc1cccc(O[C@@H](C)C(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)c1 ZINC000061308543 823591057 /nfs/dbraw/zinc/59/10/57/823591057.db2.gz NBBIOMZBNWTIMF-SFHVURJKSA-N 1 0 384.545 4.258 20 0 GIADRO COC(=O)Nc1ccc(COC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000190612297 823591537 /nfs/dbraw/zinc/59/15/37/823591537.db2.gz NARFCCDFWWWRQA-UHFFFAOYSA-N 1 0 396.487 4.210 20 0 GIADRO Fc1cccnc1N1CC[C@H]([NH2+][C@@H](c2ccc(Br)s2)C2CC2)C1 ZINC000190615145 823591926 /nfs/dbraw/zinc/59/19/26/823591926.db2.gz AKXXDILDJXHGRQ-BLLLJJGKSA-N 1 0 396.329 4.364 20 0 GIADRO O=C(CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)Nc1c(Cl)cccc1Cl ZINC000411630932 823592349 /nfs/dbraw/zinc/59/23/49/823592349.db2.gz KYYZRFZKIBLZJB-JBBXEZCESA-N 1 0 383.319 4.259 20 0 GIADRO O=C(CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)Nc1cc(Cl)ccc1Cl ZINC000411634058 823592475 /nfs/dbraw/zinc/59/24/75/823592475.db2.gz UFYWOTSVVMWKJZ-MORSLUCNSA-N 1 0 383.319 4.259 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)Nc2cnc3c(cnn3C(C)C)c2)cc1 ZINC000061353373 823593141 /nfs/dbraw/zinc/59/31/41/823593141.db2.gz DKDJZZVRKIYUIT-UHFFFAOYSA-N 1 0 394.523 4.176 20 0 GIADRO Cc1nc(CC2CC2)sc1C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000190634667 823593929 /nfs/dbraw/zinc/59/39/29/823593929.db2.gz LQRUMRVAOYSMQE-INIZCTEOSA-N 1 0 389.590 4.108 20 0 GIADRO CCCN(CC[NH+](CC)CC)C(=O)c1cccc(C(=O)N(C)c2ccccc2)c1 ZINC000461181791 823594300 /nfs/dbraw/zinc/59/43/00/823594300.db2.gz QGJCSSUEHWOISA-UHFFFAOYSA-N 1 0 395.547 4.157 20 0 GIADRO CCC(CC)n1nccc1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000124412176 823594485 /nfs/dbraw/zinc/59/44/85/823594485.db2.gz FWIKYFQIIYQDMU-IRLDBZIGSA-N 1 0 394.563 4.371 20 0 GIADRO COC[C@H]([NH2+]CCC(=O)Nc1ccccc1SC)c1ccc(Cl)cc1 ZINC000411655771 823594930 /nfs/dbraw/zinc/59/49/30/823594930.db2.gz MQUQLFFWWGUTBF-KRWDZBQOSA-N 1 0 378.925 4.368 20 0 GIADRO COc1ccnc(C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2cccs2)c1OC ZINC000190656262 823595807 /nfs/dbraw/zinc/59/58/07/823595807.db2.gz SSAWGFLRRPSTMX-RDJZCZTQSA-N 1 0 376.522 4.029 20 0 GIADRO C[C@H](NC(=O)N[C@@H]1CCc2sc(Cl)cc21)[C@@H](c1ccccc1)[NH+](C)C ZINC000461194390 823596395 /nfs/dbraw/zinc/59/63/95/823596395.db2.gz JEWLWHWVJRHHTK-PNPHSEOMSA-N 1 0 377.941 4.379 20 0 GIADRO COc1cccc([C@@H]2[C@H]([NH2+]Cc3cc(-c4ccco4)on3)CCN2C2CC2)c1 ZINC000411688423 823597109 /nfs/dbraw/zinc/59/71/09/823597109.db2.gz CLLHNWDSFGMZFM-DENIHFKCSA-N 1 0 379.460 4.011 20 0 GIADRO CCN1CC[C@@H]([NH2+]Cc2cc(-c3ccco3)on2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000411690366 823597342 /nfs/dbraw/zinc/59/73/42/823597342.db2.gz HLEDXJIMHGVPQS-OXQOHEQNSA-N 1 0 391.393 4.277 20 0 GIADRO CC(C)(C)O[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000124450530 823597908 /nfs/dbraw/zinc/59/79/08/823597908.db2.gz LYOGMMWMISHWIJ-JOCHJYFZSA-N 1 0 380.532 4.324 20 0 GIADRO COCc1ccc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)cc1 ZINC000124463437 823598698 /nfs/dbraw/zinc/59/86/98/823598698.db2.gz RNKVLDXSBRLNOH-KRWDZBQOSA-N 1 0 387.545 4.400 20 0 GIADRO C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@H+](C)CCCn1ccnc1 ZINC000124465724 823598808 /nfs/dbraw/zinc/59/88/08/823598808.db2.gz VYZFEWNYSMRAFE-CYBMUJFWSA-N 1 0 379.386 4.035 20 0 GIADRO Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)c3cccc(C[NH+]4CCCC4)c3)nc2c1 ZINC000061462150 823598990 /nfs/dbraw/zinc/59/89/90/823598990.db2.gz FXMPKKMYNWRUES-QFIPXVFZSA-N 1 0 388.515 4.444 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)c2ccccc2Nc2cccc(OC)c2)CC1 ZINC000461210134 823599185 /nfs/dbraw/zinc/59/91/85/823599185.db2.gz FZKLPVICMBHBNI-UHFFFAOYSA-N 1 0 381.520 4.291 20 0 GIADRO CCO[C@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccccc2C(F)(F)F)C12CCCC2 ZINC000411716974 823599533 /nfs/dbraw/zinc/59/95/33/823599533.db2.gz GPTPGDWVXVANNM-SJORKVTESA-N 1 0 384.442 4.361 20 0 GIADRO Cc1ccc(Br)cc1C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000190699946 823599617 /nfs/dbraw/zinc/59/96/17/823599617.db2.gz GRERONZPRWSDBD-MRXNPFEDSA-N 1 0 389.337 4.445 20 0 GIADRO CCOc1cccc2cc([C@H](C)[NH2+]Cc3ccc(N(C)CCOC)nc3)oc21 ZINC000190700819 823599860 /nfs/dbraw/zinc/59/98/60/823599860.db2.gz UCUSWRHDCINGFO-INIZCTEOSA-N 1 0 383.492 4.160 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)c2ccc(Br)cc2OC(C)C)CC1 ZINC000461215526 823600142 /nfs/dbraw/zinc/60/01/42/823600142.db2.gz JFENIOUYCZHNBR-UHFFFAOYSA-N 1 0 397.357 4.088 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)c2ccoc2CN2c3ccccc3C[C@@H]2C)CC1 ZINC000461216313 823600170 /nfs/dbraw/zinc/60/01/70/823600170.db2.gz CSMAQJPBXUUXDB-SFHVURJKSA-N 1 0 395.547 4.083 20 0 GIADRO CC(=O)Nc1ccc(F)c(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)c1 ZINC000061503468 823600194 /nfs/dbraw/zinc/60/01/94/823600194.db2.gz PIZQVAXVJYGDAK-UHFFFAOYSA-N 1 0 397.494 4.090 20 0 GIADRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+][C@H](C)C(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000411724026 823600239 /nfs/dbraw/zinc/60/02/39/823600239.db2.gz CZKCYRAJFPCDPI-QYRPDUKASA-N 1 0 396.531 4.346 20 0 GIADRO C[C@H](NC(=O)N(C)[C@H]1CC[C@@H](C(F)(F)F)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000461217487 823600377 /nfs/dbraw/zinc/60/03/77/823600377.db2.gz KZNQSOJVYBVPKM-OWLYRPNTSA-N 1 0 385.474 4.440 20 0 GIADRO COc1cccc(NC(=O)CC[N@@H+]2CCC[C@H]2c2nc3cc(C)ccc3[nH]2)c1 ZINC000411729430 823600599 /nfs/dbraw/zinc/60/05/99/823600599.db2.gz FKWVPARKTKNAFU-FQEVSTJZSA-N 1 0 378.476 4.046 20 0 GIADRO CCOc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1nc2cc(C)ccc2[nH]1 ZINC000411732047 823600814 /nfs/dbraw/zinc/60/08/14/823600814.db2.gz MUKBEGGWJRAXEV-HXUWFJFHSA-N 1 0 392.503 4.436 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CCC(=O)Nc2ccc(Cl)cc2F)c(C)c1OC ZINC000411739498 823601202 /nfs/dbraw/zinc/60/12/02/823601202.db2.gz NOFPAPVSAQZIME-ZDUSSCGKSA-N 1 0 394.874 4.484 20 0 GIADRO COC[C@H](NC(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C)c1cccc(Cl)c1 ZINC000461227912 823601546 /nfs/dbraw/zinc/60/15/46/823601546.db2.gz UFJMVANTNBBIQC-YSSFQJQWSA-N 1 0 389.927 4.018 20 0 GIADRO CCC[NH+]1CCC(NCc2ccc(Br)c(Br)c2)CC1 ZINC000124500714 823601893 /nfs/dbraw/zinc/60/18/93/823601893.db2.gz XDDOCIYTKNLIOZ-UHFFFAOYSA-N 1 0 390.163 4.176 20 0 GIADRO FC(F)(F)COCc1ccc(C[NH2+]Cc2ccc(Br)o2)cc1 ZINC000190739852 823603903 /nfs/dbraw/zinc/60/39/03/823603903.db2.gz IHILKGPHVKWJDJ-UHFFFAOYSA-N 1 0 378.188 4.411 20 0 GIADRO CCC[C@@H]1CCc2nc(NC(=O)C3CC[NH+]([C@@H]4CCSC4)CC3)sc2C1 ZINC000411782147 823604264 /nfs/dbraw/zinc/60/42/64/823604264.db2.gz DDUUQZDJPVTSTK-GDBMZVCRSA-N 1 0 393.622 4.204 20 0 GIADRO O=C(Cc1ccc(-n2cccc2)cc1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000061567999 823604309 /nfs/dbraw/zinc/60/43/09/823604309.db2.gz BZJKBFNEOZMJIL-UHFFFAOYSA-N 1 0 393.556 4.110 20 0 GIADRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)c1nc(Cl)ccc1Cl ZINC000061568610 823604481 /nfs/dbraw/zinc/60/44/81/823604481.db2.gz FSFJKPZAEDOHCS-UHFFFAOYSA-N 1 0 384.332 4.092 20 0 GIADRO CCCN(C(=O)c1cccs1)C1CC[NH+](C[C@H](O)CC2CCCC2)CC1 ZINC000190745796 823604615 /nfs/dbraw/zinc/60/46/15/823604615.db2.gz UWUQCOKVCHOEIN-LJQANCHMSA-N 1 0 378.582 4.006 20 0 GIADRO COc1cccc(F)c1[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000461255053 823605684 /nfs/dbraw/zinc/60/56/84/823605684.db2.gz YTSYPQZOUFPYKE-WBVHZDCISA-N 1 0 388.458 4.063 20 0 GIADRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@H]1C[C@@]1(F)c1ccccc1 ZINC000411801033 823606065 /nfs/dbraw/zinc/60/60/65/823606065.db2.gz YKLYBTXSAKGNIK-DENIHFKCSA-N 1 0 384.520 4.367 20 0 GIADRO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000411801831 823606126 /nfs/dbraw/zinc/60/61/26/823606126.db2.gz NHLQFVVQQPVHAK-MRXNPFEDSA-N 1 0 392.393 4.339 20 0 GIADRO Cc1cc(C(=O)NCCCC[NH+]2CCOCC2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000061609490 823606176 /nfs/dbraw/zinc/60/61/76/823606176.db2.gz VSBVBHJFLBRRAO-UHFFFAOYSA-N 1 0 397.563 4.060 20 0 GIADRO Cc1nc(CSc2ccccc2C(=O)N2CCC[N@@H+](C3CC3)CC2)cs1 ZINC000061604881 823606186 /nfs/dbraw/zinc/60/61/86/823606186.db2.gz KOLPPVPYTZXKLN-UHFFFAOYSA-N 1 0 387.574 4.054 20 0 GIADRO COc1cc(C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)ccc1OCCC(C)C ZINC000461258316 823606604 /nfs/dbraw/zinc/60/66/04/823606604.db2.gz PTHHQCHFVNYRQE-LJQANCHMSA-N 1 0 376.541 4.067 20 0 GIADRO O=C(Cc1csc(-c2ccc(Cl)cc2Cl)n1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000061622749 823606638 /nfs/dbraw/zinc/60/66/38/823606638.db2.gz OXCBGLWOQRIPQW-GFCCVEGCSA-N 1 0 396.343 4.012 20 0 GIADRO O=C1CCCN1C1CC[NH+](Cc2ccc(Oc3ccccc3F)c(F)c2)CC1 ZINC000124564628 823606805 /nfs/dbraw/zinc/60/68/05/823606805.db2.gz UNAIGIMOBTWROI-UHFFFAOYSA-N 1 0 386.442 4.344 20 0 GIADRO COc1cc(-n2cccc2)c(Cl)cc1C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000461260292 823607085 /nfs/dbraw/zinc/60/70/85/823607085.db2.gz DDILNEFCGVJVRA-MRXNPFEDSA-N 1 0 389.927 4.086 20 0 GIADRO CC1(C)[C@H]([NH2+]CCC(=O)NC(c2ccccc2)c2ccccc2)[C@H]2CCCO[C@@H]21 ZINC000411811458 823607183 /nfs/dbraw/zinc/60/71/83/823607183.db2.gz YCSDNOMKJNVCJA-HUVFLSCGSA-N 1 0 392.543 4.076 20 0 GIADRO Cc1ccc(C(=O)c2ccccc2C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000461261664 823607446 /nfs/dbraw/zinc/60/74/46/823607446.db2.gz XIQCJLOZRASLKT-HXUWFJFHSA-N 1 0 378.516 4.172 20 0 GIADRO CCOc1ccccc1NC(=O)CC[NH2+][C@H](c1ccccc1)C1(CO)CCCC1 ZINC000411818669 823608069 /nfs/dbraw/zinc/60/80/69/823608069.db2.gz PMLNEXDXXYJPGM-HSZRJFAPSA-N 1 0 396.531 4.298 20 0 GIADRO CN(CCc1cccc2ccccc21)C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000411822490 823608733 /nfs/dbraw/zinc/60/87/33/823608733.db2.gz BDIQCEVPEYMWKI-NRFANRHFSA-N 1 0 382.573 4.058 20 0 GIADRO C[C@H](Sc1ccc(Br)cc1)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000461265980 823608850 /nfs/dbraw/zinc/60/88/50/823608850.db2.gz PPVRNIYGOXVELK-HOCLYGCPSA-N 1 0 399.398 4.263 20 0 GIADRO Brc1ccccc1-c1noc([C@H]2CCCN2Cc2cccnc2)n1 ZINC000190789098 823609145 /nfs/dbraw/zinc/60/91/45/823609145.db2.gz JHTJKTQBRXJLJM-MRXNPFEDSA-N 1 0 385.265 4.231 20 0 GIADRO CCN(C)c1ccc(C[NH2+][C@@H](C)c2cccc(OCc3ccccn3)c2)cn1 ZINC000190795412 823609924 /nfs/dbraw/zinc/60/99/24/823609924.db2.gz UOSHLXURVMAMBI-SFHVURJKSA-N 1 0 376.504 4.363 20 0 GIADRO CC(C)Oc1ccc(CNC(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000061735869 823610222 /nfs/dbraw/zinc/61/02/22/823610222.db2.gz PQSHLWQYRYVSDH-UHFFFAOYSA-N 1 0 395.547 4.110 20 0 GIADRO O=C(CC[NH+]1CCC(c2nc3ccccc3o2)CC1)N1CCc2sccc2C1 ZINC000124601607 823610286 /nfs/dbraw/zinc/61/02/86/823610286.db2.gz OETPTUPLOXIQTP-UHFFFAOYSA-N 1 0 395.528 4.044 20 0 GIADRO C[NH+](C)CCn1c2cc(NCc3ccccc3OC3CCCC3)ccc2oc1=O ZINC000124607718 823610818 /nfs/dbraw/zinc/61/08/18/823610818.db2.gz RAINRTVXGOSOER-UHFFFAOYSA-N 1 0 395.503 4.090 20 0 GIADRO Cc1cc(C(F)(F)F)ccc1C[NH2+]CC(=O)Nc1ccc(F)c(F)c1F ZINC000190807436 823611586 /nfs/dbraw/zinc/61/15/86/823611586.db2.gz LCCIGRGYKZGVIK-UHFFFAOYSA-N 1 0 376.300 4.159 20 0 GIADRO Cc1nnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1Cc1cccs1 ZINC000461286206 823611907 /nfs/dbraw/zinc/61/19/07/823611907.db2.gz CTUHLWRUQFJWSG-YLJYHZDGSA-N 1 0 395.576 4.186 20 0 GIADRO COc1ccc(C[N@H+](C)CCc2ccc(OC)c(OC)c2)cc1Br ZINC000061758649 823611931 /nfs/dbraw/zinc/61/19/31/823611931.db2.gz XIIFYNCRHSQZQQ-UHFFFAOYSA-N 1 0 394.309 4.149 20 0 GIADRO CCCCCC[C@H](C)NC(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000061759502 823612023 /nfs/dbraw/zinc/61/20/23/823612023.db2.gz JPPZNZGOJZKIAA-MOPGFXCFSA-N 1 0 387.568 4.332 20 0 GIADRO O=C(CC[NH2+][C@@H](c1cccs1)C1(CO)CCC1)Nc1ccc(Cl)cc1F ZINC000411877922 823612098 /nfs/dbraw/zinc/61/20/98/823612098.db2.gz QWOKVZNFUVLZKO-SFHVURJKSA-N 1 0 396.915 4.363 20 0 GIADRO CC[C@H]([NH2+]CC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C)c1ccccc1 ZINC000411883219 823612431 /nfs/dbraw/zinc/61/24/31/823612431.db2.gz BQUMYOLAUOSIAR-NRFANRHFSA-N 1 0 376.504 4.477 20 0 GIADRO COC(=O)Nc1cccc(NC(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)c1 ZINC000061772773 823613112 /nfs/dbraw/zinc/61/31/12/823613112.db2.gz OBVDEQBFYULGLK-FQEVSTJZSA-N 1 0 396.491 4.132 20 0 GIADRO COc1ccc(-c2nc(C[NH2+][C@@H]3Cc4ccccc4[C@@H]3OC)cs2)c(OC)c1 ZINC000411889711 823613198 /nfs/dbraw/zinc/61/31/98/823613198.db2.gz GNOOZARITWWKGT-CTNGQTDRSA-N 1 0 396.512 4.229 20 0 GIADRO O[C@H]1C[C@H](c2ccccc2)[N@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000411923251 823614606 /nfs/dbraw/zinc/61/46/06/823614606.db2.gz KMHRDOVDMBXKGV-QFBILLFUSA-N 1 0 383.289 4.305 20 0 GIADRO O[C@H]1C[C@H](c2ccccc2)[N@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000411932934 823614987 /nfs/dbraw/zinc/61/49/87/823614987.db2.gz GFTPUKAOEGCBJB-RBUKOAKNSA-N 1 0 383.289 4.305 20 0 GIADRO Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H](CN1CCCC1=O)c1ccccc1 ZINC000190841502 823615311 /nfs/dbraw/zinc/61/53/11/823615311.db2.gz MTQSBTREXYNPGU-IBGZPJMESA-N 1 0 376.422 4.467 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)NCc2ccc(Cl)cc2Cl)c1 ZINC000061794873 823615348 /nfs/dbraw/zinc/61/53/48/823615348.db2.gz VIIDQQKGHXABPU-UHFFFAOYSA-N 1 0 380.319 4.445 20 0 GIADRO CC(C)c1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CCN(C)CC2)cc1 ZINC000124668856 823615746 /nfs/dbraw/zinc/61/57/46/823615746.db2.gz BRWKZKRWWSFGJA-GOTSBHOMSA-N 1 0 385.596 4.219 20 0 GIADRO COc1cccc(-c2nc(C[NH2+][C@@H](C)[C@](C)(OC)C3CC3)cs2)c1OC ZINC000411951685 823616121 /nfs/dbraw/zinc/61/61/21/823616121.db2.gz QJSMFWHBIVGYHZ-RBZFPXEDSA-N 1 0 376.522 4.121 20 0 GIADRO CC(C)[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)C[C@@H](O)C1CCCCC1 ZINC000190851446 823616269 /nfs/dbraw/zinc/61/62/69/823616269.db2.gz KQJBCHSKYZOYKB-GOSISDBHSA-N 1 0 386.458 4.296 20 0 GIADRO CO[C@@](C)([C@@H](C)[NH2+]Cc1ncc(-c2cccc(Br)c2)o1)C1CC1 ZINC000411954212 823616411 /nfs/dbraw/zinc/61/64/11/823616411.db2.gz STFHMNXLZPUFRR-XIKOKIGWSA-N 1 0 379.298 4.397 20 0 GIADRO CCOc1cccc(CNC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000061868829 823616943 /nfs/dbraw/zinc/61/69/43/823616943.db2.gz POZSPNLEKBWNKM-LJQANCHMSA-N 1 0 395.547 4.317 20 0 GIADRO CO[C@](C)([C@H](C)[NH2+]CCC(=O)NC(c1ccccc1)c1ccccc1)C1CC1 ZINC000411972072 823617286 /nfs/dbraw/zinc/61/72/86/823617286.db2.gz PIICSSFHFYGPMJ-MHECFPHRSA-N 1 0 380.532 4.076 20 0 GIADRO CO[C@](C)([C@H](C)[NH2+]CC(=O)Nc1cc(Cl)c(Cl)cc1Cl)C1CC1 ZINC000411970643 823617290 /nfs/dbraw/zinc/61/72/90/823617290.db2.gz NNLGMLYSDBJOCJ-XXFAHNHDSA-N 1 0 379.715 4.379 20 0 GIADRO CSc1ccccc1OC[C@@H](O)C[N@H+](Cc1ccc(C(C)=O)cc1)C(C)C ZINC000411978317 823617635 /nfs/dbraw/zinc/61/76/35/823617635.db2.gz CSPMSJBWWYMWAW-FQEVSTJZSA-N 1 0 387.545 4.261 20 0 GIADRO Cc1sc2nc([C@H](C)N3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)[nH]c(=O)c2c1C ZINC000411980468 823617641 /nfs/dbraw/zinc/61/76/41/823617641.db2.gz GSDGVXBAVVAPOP-HOCLYGCPSA-N 1 0 396.560 4.281 20 0 GIADRO CCN(C(=O)[C@@H](C)[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1)C1CCCCC1 ZINC000411982091 823617821 /nfs/dbraw/zinc/61/78/21/823617821.db2.gz BZWVJGKPPPTRAV-DENIHFKCSA-N 1 0 384.564 4.410 20 0 GIADRO CCc1ccc([C@@H]2CN(C(=O)c3cccc(C[NH+]4CCCC4)c3)CCO2)cc1 ZINC000190867842 823618106 /nfs/dbraw/zinc/61/81/06/823618106.db2.gz OQZFDXNDWZUFJJ-QHCPKHFHSA-N 1 0 378.516 4.059 20 0 GIADRO CSc1ccccc1OC[C@@H](O)C[N@H+](Cc1oc(C(C)C)nc1C)C(C)C ZINC000411985326 823618161 /nfs/dbraw/zinc/61/81/61/823618161.db2.gz NXJODJSPOPQHPO-KRWDZBQOSA-N 1 0 392.565 4.479 20 0 GIADRO O=c1cc(C[N@@H+]2C[C@@H](c3ccccc3)C3(CCC3)C2)nc2ccc(Cl)cn12 ZINC000411993809 823618852 /nfs/dbraw/zinc/61/88/52/823618852.db2.gz XVUOGWRIILXVKI-IBGZPJMESA-N 1 0 379.891 4.118 20 0 GIADRO CC(C)n1ncc2cc(C[N@@H+]3CC4(CCOCC4)[C@@H]3c3ccccc3)cnc21 ZINC000411996282 823619463 /nfs/dbraw/zinc/61/94/63/823619463.db2.gz GETAPCHTIRUZFV-NRFANRHFSA-N 1 0 376.504 4.366 20 0 GIADRO CCSc1ccc([C@H](C)NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)cc1 ZINC000411996977 823619583 /nfs/dbraw/zinc/61/95/83/823619583.db2.gz FFYZUOWFTRBRGH-MAUKXSAKSA-N 1 0 378.607 4.193 20 0 GIADRO CC(C)CNC(=O)c1cccc(C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)c1 ZINC000411997427 823619892 /nfs/dbraw/zinc/61/98/92/823619892.db2.gz IRJHPJQQJZUYKB-HSZRJFAPSA-N 1 0 392.543 4.426 20 0 GIADRO O=C(C[NH+]1CCCCCC1)Nc1cccc(NC(=O)C2CCC(F)(F)CC2)c1 ZINC000124720403 823620697 /nfs/dbraw/zinc/62/06/97/823620697.db2.gz LOSQGSVTFQDLJM-UHFFFAOYSA-N 1 0 393.478 4.265 20 0 GIADRO Cc1cc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCOCC2)c2ccccc2n1 ZINC000412005132 823621287 /nfs/dbraw/zinc/62/12/87/823621287.db2.gz AUXVUYDJRLIONL-QHCPKHFHSA-N 1 0 376.500 4.163 20 0 GIADRO O=C(c1ccccc1)N1CC[C@@H](C[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)C1 ZINC000412006065 823621507 /nfs/dbraw/zinc/62/15/07/823621507.db2.gz BGVKAOJOMQNZHY-OFNKIYASSA-N 1 0 390.527 4.002 20 0 GIADRO O=C(C[NH2+][C@@H](c1ccccc1)C1(CO)CCCCC1)Nc1c(F)cccc1F ZINC000412006403 823621516 /nfs/dbraw/zinc/62/15/16/823621516.db2.gz HNWVYQBPAQVQCR-NRFANRHFSA-N 1 0 388.458 4.177 20 0 GIADRO Cc1ccc(-c2cc(C[NH2+][C@@H](c3ccccc3)C3(CO)CCOCC3)on2)cc1 ZINC000412007120 823621843 /nfs/dbraw/zinc/62/18/43/823621843.db2.gz JDOMDQBPHSSQSU-QHCPKHFHSA-N 1 0 392.499 4.270 20 0 GIADRO OCC1([C@@H]([NH2+]Cc2cnc(-c3ccccc3)s2)c2ccccc2)CCOCC1 ZINC000412010455 823622295 /nfs/dbraw/zinc/62/22/95/823622295.db2.gz QNBSAXAJQHKGQD-NRFANRHFSA-N 1 0 394.540 4.430 20 0 GIADRO Cc1csc(C(=O)NC2CC[NH+](CC3CCCC3)CC2)c1Br ZINC000190907129 823622762 /nfs/dbraw/zinc/62/27/62/823622762.db2.gz SVARQHLYFZXKSH-UHFFFAOYSA-N 1 0 385.371 4.203 20 0 GIADRO Cc1cc(F)c(Br)cc1NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000190909019 823622962 /nfs/dbraw/zinc/62/29/62/823622962.db2.gz VQNOJJGTMKILJG-UHFFFAOYSA-N 1 0 386.309 4.139 20 0 GIADRO COC1([C@H](C)[NH2+]C[C@H](O)CO[C@H](c2ccccc2)c2ccccc2C)CCC1 ZINC000412022721 823623260 /nfs/dbraw/zinc/62/32/60/823623260.db2.gz VEHFAGDDYBBGJI-IEIRFRATSA-N 1 0 383.532 4.009 20 0 GIADRO Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)c2ccccc12 ZINC000412031736 823623569 /nfs/dbraw/zinc/62/35/69/823623569.db2.gz AWUGZURFUUCGNF-UHFFFAOYSA-N 1 0 388.511 4.035 20 0 GIADRO CCc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](N4CCCC4=O)CC3)cs2)cc1 ZINC000412030131 823623680 /nfs/dbraw/zinc/62/36/80/823623680.db2.gz DOMRTJMVNQJQDG-HXUWFJFHSA-N 1 0 383.561 4.349 20 0 GIADRO CCc1ccc([C@H]2CN(C(=O)c3oc4ccccc4c3C[NH+](C)C)CCO2)cc1 ZINC000190917777 823624206 /nfs/dbraw/zinc/62/42/06/823624206.db2.gz UJXVTQWGRHFZMG-JOCHJYFZSA-N 1 0 392.499 4.271 20 0 GIADRO Cc1ccnc(Oc2ccc(NC(=O)NCCCC[N@H+]3CCCC[C@@H]3C)cc2)n1 ZINC000124767882 823624626 /nfs/dbraw/zinc/62/46/26/823624626.db2.gz URZATUOIHWIOOH-SFHVURJKSA-N 1 0 397.523 4.353 20 0 GIADRO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000412058373 823624736 /nfs/dbraw/zinc/62/47/36/823624736.db2.gz UXNUDYLAMQXABR-JOCHJYFZSA-N 1 0 378.516 4.243 20 0 GIADRO O=C(Cc1coc(-c2ccccc2)n1)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000062228576 823625109 /nfs/dbraw/zinc/62/51/09/823625109.db2.gz NOLYIVNHBWKCKB-JOCHJYFZSA-N 1 0 389.499 4.055 20 0 GIADRO COc1ccc(C2(C[NH2+][C@@H](C)c3nnc(-c4ccccc4)o3)CCOCC2)cc1 ZINC000062242559 823625889 /nfs/dbraw/zinc/62/58/89/823625889.db2.gz XPBNABWJWKGFPX-KRWDZBQOSA-N 1 0 393.487 4.144 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](c1ccc(F)cc1)N(C)C)c1ccc(OCc2nccn2C)cc1 ZINC000124791509 823626500 /nfs/dbraw/zinc/62/65/00/823626500.db2.gz ATQVAKYYSXNNTQ-VGSWGCGISA-N 1 0 396.510 4.092 20 0 GIADRO Cc1cc(C)c(C[NH2+]Cc2cc(Br)c3c(c2)OCCO3)c(C)c1 ZINC000062256706 823626650 /nfs/dbraw/zinc/62/66/50/823626650.db2.gz PMDFTAJCAFGLOS-UHFFFAOYSA-N 1 0 376.294 4.435 20 0 GIADRO C[C@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)c1cccc(Cl)c1Cl ZINC000412115593 823627476 /nfs/dbraw/zinc/62/74/76/823627476.db2.gz GSHWOKBXPADWPU-GXTWGEPZSA-N 1 0 387.376 4.388 20 0 GIADRO CC[NH+](CC)[C@H](C(=O)N1CC[C@H](COCc2ccccc2)C1)c1ccccc1 ZINC000461385360 823627498 /nfs/dbraw/zinc/62/74/98/823627498.db2.gz QPGXQBGXHOAFAR-GMAHTHKFSA-N 1 0 380.532 4.135 20 0 GIADRO CC[NH+](CC)[C@H](C(=O)N1CC[C@@H](COCc2ccccc2)C1)c1ccccc1 ZINC000461385359 823627506 /nfs/dbraw/zinc/62/75/06/823627506.db2.gz QPGXQBGXHOAFAR-GGAORHGYSA-N 1 0 380.532 4.135 20 0 GIADRO O=C(N[C@@H](c1ccc(F)cc1)C1CCCC1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412121048 823627801 /nfs/dbraw/zinc/62/78/01/823627801.db2.gz LKJRVTBQTWKKAH-NHCUHLMSSA-N 1 0 390.568 4.391 20 0 GIADRO COC[C@H]([NH2+][C@@H]1CCC[C@H](C(=O)NC(C)C)C1)c1cccc(C(F)(F)F)c1 ZINC000124810626 823627950 /nfs/dbraw/zinc/62/79/50/823627950.db2.gz HAPTXALCJYRCCQ-JQHSSLGASA-N 1 0 386.458 4.066 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)Oc2ccc(NC(=O)CSC)cc2)cc1 ZINC000062305819 823628469 /nfs/dbraw/zinc/62/84/69/823628469.db2.gz MKKPIGHGLHPQDR-UHFFFAOYSA-N 1 0 386.517 4.049 20 0 GIADRO COc1cc(C[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)c2ccccc2n1 ZINC000124824502 823629022 /nfs/dbraw/zinc/62/90/22/823629022.db2.gz OKVZHJDSTZBHDG-HNNXBMFYSA-N 1 0 377.444 4.051 20 0 GIADRO C[N@@H+]1CCN(Cc2nnc(-c3cc4c(s3)CCCC4)o2)C2(CCCCC2)C1 ZINC000461398374 823629511 /nfs/dbraw/zinc/62/95/11/823629511.db2.gz LEFHAFXKTGEAMD-UHFFFAOYSA-N 1 0 386.565 4.127 20 0 GIADRO C[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000412138783 823629564 /nfs/dbraw/zinc/62/95/64/823629564.db2.gz ZTMOHIXZPNAGQQ-AEFFLSMTSA-N 1 0 398.469 4.241 20 0 GIADRO O=C(c1cccc(C[NH+]2CCCCC2)c1)N1CC[C@H](COCc2ccccc2)C1 ZINC000412143136 823629930 /nfs/dbraw/zinc/62/99/30/823629930.db2.gz CULXHDNFGFWTDH-QHCPKHFHSA-N 1 0 392.543 4.351 20 0 GIADRO CCOc1ccc(NC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)cc1 ZINC000062368652 823630094 /nfs/dbraw/zinc/63/00/94/823630094.db2.gz PHUHGZNNNZGAFS-UHFFFAOYSA-N 1 0 375.900 4.334 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@@H](c1ccc(O)cc1)C1CC1 ZINC000412146230 823630118 /nfs/dbraw/zinc/63/01/18/823630118.db2.gz FHRRNFWEWYGQGG-HYBUGGRVSA-N 1 0 392.543 4.256 20 0 GIADRO COCCN1CCC([NH2+]Cc2ccccc2Oc2ccc(F)cc2Cl)CC1 ZINC000461407907 823630644 /nfs/dbraw/zinc/63/06/44/823630644.db2.gz QYDQLQVSQCRYIB-UHFFFAOYSA-N 1 0 392.902 4.472 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000062374880 823630656 /nfs/dbraw/zinc/63/06/56/823630656.db2.gz POXJCTUIJUZNNJ-UHFFFAOYSA-N 1 0 399.388 4.162 20 0 GIADRO CC(=O)N1CCC([NH2+]Cc2ccccc2Oc2ccc(F)cc2Cl)CC1 ZINC000461407222 823630738 /nfs/dbraw/zinc/63/07/38/823630738.db2.gz ZFEPRRFDFWMEBV-UHFFFAOYSA-N 1 0 376.859 4.372 20 0 GIADRO Cc1nc2n(n1)C[C@H]([NH2+]Cc1ccccc1Oc1ccc(F)cc1Cl)CC2 ZINC000461408583 823630942 /nfs/dbraw/zinc/63/09/42/823630942.db2.gz ABEHZQMZFJQRFJ-MRXNPFEDSA-N 1 0 386.858 4.276 20 0 GIADRO Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)o1 ZINC000412155854 823631187 /nfs/dbraw/zinc/63/11/87/823631187.db2.gz KCSIJWGFTGFFFE-LZQZEXGQSA-N 1 0 376.566 4.105 20 0 GIADRO CC[C@@H]1CN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC[C@@H]1c1ccccc1 ZINC000412156298 823631309 /nfs/dbraw/zinc/63/13/09/823631309.db2.gz JTDFFQYMENSMDJ-QIJUGHKUSA-N 1 0 386.605 4.246 20 0 GIADRO O=C(NCCc1nc(C(F)(F)F)cs1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412160339 823631670 /nfs/dbraw/zinc/63/16/70/823631670.db2.gz SRSFZGCRIGCKDW-UHFFFAOYSA-N 1 0 397.466 4.120 20 0 GIADRO CC1CCC(N(C[C@@H]2CCCO2)C(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000461415677 823631744 /nfs/dbraw/zinc/63/17/44/823631744.db2.gz GBXFASZTTANPDW-HXJXPZHGSA-N 1 0 384.564 4.482 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C[C@@H](c1ccc(O)cc1)C1CC1 ZINC000412162323 823631846 /nfs/dbraw/zinc/63/18/46/823631846.db2.gz LXHYUCCRXVVELK-DQMJNTIXSA-N 1 0 392.543 4.303 20 0 GIADRO O=C(Nc1ccc(N2CCCCC2)nc1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000062390734 823632247 /nfs/dbraw/zinc/63/22/47/823632247.db2.gz QVMTUSXILXPUBH-UHFFFAOYSA-N 1 0 399.583 4.238 20 0 GIADRO CC(=O)Nc1cc(NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)ccc1C ZINC000062392994 823632303 /nfs/dbraw/zinc/63/23/03/823632303.db2.gz PODYGNLHPJUVEX-UHFFFAOYSA-N 1 0 386.540 4.120 20 0 GIADRO O=C(N[C@@H](c1ccccc1)c1cccc(F)c1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412169308 823632340 /nfs/dbraw/zinc/63/23/40/823632340.db2.gz JMKJLRQOVJCPTB-YADHBBJMSA-N 1 0 398.547 4.249 20 0 GIADRO Cc1csc(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1Br ZINC000190970471 823632376 /nfs/dbraw/zinc/63/23/76/823632376.db2.gz NBKSJKHWWAUJSW-UKRRQHHQSA-N 1 0 393.350 4.212 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)Nc1ccc(Cl)c(F)c1 ZINC000062394087 823632541 /nfs/dbraw/zinc/63/25/41/823632541.db2.gz SEXIETHNQQKYGG-UHFFFAOYSA-N 1 0 385.817 4.353 20 0 GIADRO O=C(Nc1cccc(CCC(F)(F)F)c1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412173742 823632766 /nfs/dbraw/zinc/63/27/66/823632766.db2.gz MMZUABWGDLXQRF-KRWDZBQOSA-N 1 0 386.483 4.338 20 0 GIADRO O=C(Nc1cccc(CCC(F)(F)F)c1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412173743 823632797 /nfs/dbraw/zinc/63/27/97/823632797.db2.gz MMZUABWGDLXQRF-QGZVFWFLSA-N 1 0 386.483 4.338 20 0 GIADRO C[C@@]1(CCc2ccccc2)CCN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)C1 ZINC000412177623 823633115 /nfs/dbraw/zinc/63/31/15/823633115.db2.gz RPQQEMBRBAMFKI-JTHBVZDNSA-N 1 0 386.605 4.075 20 0 GIADRO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CCC(=Cc2ccccc2F)CC1 ZINC000412180254 823633271 /nfs/dbraw/zinc/63/32/71/823633271.db2.gz ZKXFJMOLZPJOMF-HXUWFJFHSA-N 1 0 388.552 4.049 20 0 GIADRO O=C(N[C@H](c1ccccc1F)C1CCCC1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412179346 823633313 /nfs/dbraw/zinc/63/33/13/823633313.db2.gz XYSKLYHNOZPBEY-NQIIRXRSSA-N 1 0 390.568 4.391 20 0 GIADRO C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000461423246 823633463 /nfs/dbraw/zinc/63/34/63/823633463.db2.gz KBDPJTASCKTSBJ-HUUCEWRRSA-N 1 0 385.335 4.095 20 0 GIADRO O=C(CCCc1cc(F)ccc1F)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461422830 823633504 /nfs/dbraw/zinc/63/35/04/823633504.db2.gz JRKPSUBFWSQDNE-SFTDATJTSA-N 1 0 398.497 4.268 20 0 GIADRO Cc1cc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c2nccc(C)c2c1 ZINC000461424199 823633617 /nfs/dbraw/zinc/63/36/17/823633617.db2.gz HKLWWRUCHGMYHA-VXKWHMMOSA-N 1 0 399.538 4.446 20 0 GIADRO O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N1CCc2cc(-c3ccccc3)ccc21 ZINC000412195631 823634572 /nfs/dbraw/zinc/63/45/72/823634572.db2.gz QCHOAOWOHYLVAH-QFIPXVFZSA-N 1 0 392.568 4.460 20 0 GIADRO O=C(C1CCC(C(F)(F)F)CC1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461427769 823634669 /nfs/dbraw/zinc/63/46/69/823634669.db2.gz HNBAXJMLZKCXBH-FUFFSDJGSA-N 1 0 394.481 4.336 20 0 GIADRO Fc1ccccc1OC[C@H]([NH2+]Cc1ccc(-n2cncn2)cc1)c1ccccc1 ZINC000062422279 823634799 /nfs/dbraw/zinc/63/47/99/823634799.db2.gz RQBFTPDKQGAJKL-QFIPXVFZSA-N 1 0 388.446 4.316 20 0 GIADRO COc1cc2c(cc1CNC[C@H]1CCC[N@H+](Cc3ccccc3)C1)O[C@H](C)C2 ZINC000062426588 823634975 /nfs/dbraw/zinc/63/49/75/823634975.db2.gz PHNYDKUBISEJBS-UYAOXDASSA-N 1 0 380.532 4.020 20 0 GIADRO CCOc1cccc(C[NH2+]C[C@@H](c2ccc(C)cc2)N(C)C)c1OC(F)F ZINC000062423381 823634991 /nfs/dbraw/zinc/63/49/91/823634991.db2.gz LKKIUICXAJEYFV-SFHVURJKSA-N 1 0 378.463 4.388 20 0 GIADRO Cc1c(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cnc2ccccc12 ZINC000461431101 823635526 /nfs/dbraw/zinc/63/55/26/823635526.db2.gz QLJVFANJNUHNOC-NHCUHLMSSA-N 1 0 385.511 4.137 20 0 GIADRO Cc1ccc2cccc(C(=O)N3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@@H]4C3)c2n1 ZINC000461432396 823635956 /nfs/dbraw/zinc/63/59/56/823635956.db2.gz TWDXADZKDJBBSH-FCHUYYIVSA-N 1 0 385.511 4.137 20 0 GIADRO Cc1cc(C(F)(F)F)ccc1C[NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000190993236 823635994 /nfs/dbraw/zinc/63/59/94/823635994.db2.gz GYWAXTOVAPZHFJ-JXFKEZNVSA-N 1 0 377.454 4.409 20 0 GIADRO O=C(c1cccc2ccsc21)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461433230 823636292 /nfs/dbraw/zinc/63/62/92/823636292.db2.gz WHDAYLCBVIASKG-PMACEKPBSA-N 1 0 376.525 4.495 20 0 GIADRO Cc1nn(-c2cccc(F)c2)cc1C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000412215032 823636464 /nfs/dbraw/zinc/63/64/64/823636464.db2.gz ZNQCWMIXVVHMHL-UHFFFAOYSA-N 1 0 398.526 4.048 20 0 GIADRO CCSc1ccc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000461433620 823636501 /nfs/dbraw/zinc/63/65/01/823636501.db2.gz WXDSTGYPOMHVEC-SFTDATJTSA-N 1 0 380.557 4.393 20 0 GIADRO CCC(CC)(C[NH2+]Cc1ccc([S@@](C)=O)cc1)c1ccc(OC)c(OC)c1 ZINC000461435273 823636568 /nfs/dbraw/zinc/63/65/68/823636568.db2.gz IBOPAMHPWSZZBQ-HHHXNRCGSA-N 1 0 389.561 4.289 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)c2cc(C)nc3c2cnn3[C@H](C)CC)CC1 ZINC000124915157 823636589 /nfs/dbraw/zinc/63/65/89/823636589.db2.gz HCJWATCADTUVRK-GOSISDBHSA-N 1 0 399.583 4.295 20 0 GIADRO Cc1ccnc2ccc(C(=O)N3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@H]4C3)cc12 ZINC000461435777 823636968 /nfs/dbraw/zinc/63/69/68/823636968.db2.gz ZWXQYAJOCUGBOB-VXKWHMMOSA-N 1 0 385.511 4.137 20 0 GIADRO COc1cc(C[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)c2ccccc2n1 ZINC000124917534 823636948 /nfs/dbraw/zinc/63/69/48/823636948.db2.gz NSTNXSMGSDCRCU-MRXNPFEDSA-N 1 0 375.472 4.221 20 0 GIADRO O=C(CCc1ccccc1Cl)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461435771 823636997 /nfs/dbraw/zinc/63/69/97/823636997.db2.gz ZROCJVFCZGHPMA-SFTDATJTSA-N 1 0 382.935 4.253 20 0 GIADRO CCCn1c(C)c(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c2cc(OC)ccc21 ZINC000461436179 823637046 /nfs/dbraw/zinc/63/70/46/823637046.db2.gz ARJCIDQHDMGSGE-LJQANCHMSA-N 1 0 397.563 4.316 20 0 GIADRO O=C(Cc1ccc(Cl)c(F)c1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461436654 823637186 /nfs/dbraw/zinc/63/71/86/823637186.db2.gz PVGJLIMTXZVFNU-MOPGFXCFSA-N 1 0 386.898 4.002 20 0 GIADRO O=C(c1ccc(F)c(Cl)c1F)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461439836 823637828 /nfs/dbraw/zinc/63/78/28/823637828.db2.gz VINSFUNLIIMRFC-HZPDHXFCSA-N 1 0 390.861 4.212 20 0 GIADRO O=C(c1ccc(F)c(Cl)c1F)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461439835 823637836 /nfs/dbraw/zinc/63/78/36/823637836.db2.gz VINSFUNLIIMRFC-HOTGVXAUSA-N 1 0 390.861 4.212 20 0 GIADRO CCn1cc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c2ccccc21 ZINC000461440802 823637965 /nfs/dbraw/zinc/63/79/65/823637965.db2.gz ZQQODTJEDILFBX-RTWAWAEBSA-N 1 0 387.527 4.255 20 0 GIADRO O=C(Cc1ccc(F)cc1Cl)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461440980 823637993 /nfs/dbraw/zinc/63/79/93/823637993.db2.gz DFYZZPUCYLCDNF-RBUKOAKNSA-N 1 0 386.898 4.002 20 0 GIADRO O=C(Cc1ccc(F)cc1Cl)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461440979 823638009 /nfs/dbraw/zinc/63/80/09/823638009.db2.gz DFYZZPUCYLCDNF-OALUTQOASA-N 1 0 386.898 4.002 20 0 GIADRO CCn1cc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c2ccccc21 ZINC000461440801 823638026 /nfs/dbraw/zinc/63/80/26/823638026.db2.gz ZQQODTJEDILFBX-NHCUHLMSSA-N 1 0 387.527 4.255 20 0 GIADRO Cc1nc(CN2CCC(C[NH2+]Cc3ccc(OCC4CC4)cc3)CC2)oc1C ZINC000191010564 823638105 /nfs/dbraw/zinc/63/81/05/823638105.db2.gz KZTDNTJDWYCQSZ-UHFFFAOYSA-N 1 0 383.536 4.082 20 0 GIADRO Cc1ccc(Cl)c2ccc(NC(=O)C3CC[NH+]([C@H]4CCSC4)CC3)nc12 ZINC000412234521 823638246 /nfs/dbraw/zinc/63/82/46/823638246.db2.gz QEBPOHYXXQPFJK-HNNXBMFYSA-N 1 0 389.952 4.353 20 0 GIADRO O=C([C@@H]1C[C@@H]1c1ccc(F)c(F)c1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461443514 823638831 /nfs/dbraw/zinc/63/88/31/823638831.db2.gz BAKHXCJVIRVZTQ-PLACYPQZSA-N 1 0 396.481 4.049 20 0 GIADRO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1occc1-c1ccc(F)cc1 ZINC000124942115 823639117 /nfs/dbraw/zinc/63/91/17/823639117.db2.gz BMIXVNJSBBYYGU-LJQANCHMSA-N 1 0 392.474 4.380 20 0 GIADRO C[C@H](CC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)c1ccc(F)cc1 ZINC000461446327 823639487 /nfs/dbraw/zinc/63/94/87/823639487.db2.gz UKYMXPFOMDXDDC-STZQEDGTSA-N 1 0 380.507 4.300 20 0 GIADRO O=C(CSc1cc(Cl)ccc1Cl)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000461447328 823639670 /nfs/dbraw/zinc/63/96/70/823639670.db2.gz VZFRSWJYNOPXHC-AWEZNQCLSA-N 1 0 387.376 4.420 20 0 GIADRO Cc1cc(F)cc2[nH]c(C(=O)N3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@@H]4C3)cc21 ZINC000461447406 823639680 /nfs/dbraw/zinc/63/96/80/823639680.db2.gz IIGOUFZDLYQTDE-RBUKOAKNSA-N 1 0 391.490 4.210 20 0 GIADRO O=C(c1[nH]c2ccccc2c1Cl)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461448347 823639776 /nfs/dbraw/zinc/63/97/76/823639776.db2.gz UJTOZUGHYRYRKH-ROUUACIJSA-N 1 0 393.918 4.415 20 0 GIADRO CC1(C)C[C@@H](C(=O)N2CCC(CCCn3ccnc3)CC2)c2ccccc2O1 ZINC000412251010 823639975 /nfs/dbraw/zinc/63/99/75/823639975.db2.gz VGLCREBDKHRAEC-HXUWFJFHSA-N 1 0 381.520 4.247 20 0 GIADRO COc1cc(C[NH2+][C@@H](C)c2ccc(OC)c(NC(C)=O)c2)c2ccccc2n1 ZINC000124954559 823640084 /nfs/dbraw/zinc/64/00/84/823640084.db2.gz WXUWYGCXLMYXPX-AWEZNQCLSA-N 1 0 379.460 4.061 20 0 GIADRO O=C(c1c[nH]cc1-c1ccccc1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461450449 823640210 /nfs/dbraw/zinc/64/02/10/823640210.db2.gz XRFCXOJLNICWAH-YADHBBJMSA-N 1 0 385.511 4.276 20 0 GIADRO CC1CC[NH+](CCCCNC(=O)N2CC[C@@H](C(F)(F)F)C(C)(C)C2)CC1 ZINC000191032771 823640289 /nfs/dbraw/zinc/64/02/89/823640289.db2.gz VKCSQEDOULTFDY-MRXNPFEDSA-N 1 0 377.495 4.119 20 0 GIADRO O=C(c1cc(C2CCCCC2)n[nH]1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461450840 823640312 /nfs/dbraw/zinc/64/03/12/823640312.db2.gz RNBBSTCLTLDRCD-LEWJYISDSA-N 1 0 392.547 4.052 20 0 GIADRO O=C(c1cc(O)c2ccccc2c1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461450857 823640379 /nfs/dbraw/zinc/64/03/79/823640379.db2.gz RONMYRUMCNNOEC-IFMALSPDSA-N 1 0 386.495 4.140 20 0 GIADRO CC[C@@H](C(=O)N[C@H](c1ccc(OC)cc1)c1ccccc1OC)[NH+](CC)CC ZINC000461451298 823640404 /nfs/dbraw/zinc/64/04/04/823640404.db2.gz DDVTWSIHZUGQAZ-RBBKRZOGSA-N 1 0 384.520 4.030 20 0 GIADRO O=C([C@@H]1C[C@@H]1c1cccc(F)c1F)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461452643 823640766 /nfs/dbraw/zinc/64/07/66/823640766.db2.gz WIUIXLAFDNBKTH-FMWKFLBASA-N 1 0 396.481 4.049 20 0 GIADRO O=C([C@@H]1C[C@@H]1c1ccccc1Cl)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461453909 823640872 /nfs/dbraw/zinc/64/08/72/823640872.db2.gz HAOLFBZIZJQZAM-SEIRJHJZSA-N 1 0 394.946 4.424 20 0 GIADRO CCS(=O)(=O)CCCCC[NH+]1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC000191037143 823641028 /nfs/dbraw/zinc/64/10/28/823641028.db2.gz BDORRMIHIHNYNN-UHFFFAOYSA-N 1 0 391.499 4.490 20 0 GIADRO O=C(c1scnc1C1CCCC1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461454896 823641120 /nfs/dbraw/zinc/64/11/20/823641120.db2.gz IRDDXNJDPUPONH-VQTJNVASSA-N 1 0 395.572 4.395 20 0 GIADRO O=C(N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412262873 823641248 /nfs/dbraw/zinc/64/12/48/823641248.db2.gz YGOYCTKLVVUISL-PKTZIBPZSA-N 1 0 396.506 4.462 20 0 GIADRO O=C(C[C@@H]1CCCc2ccccc21)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461455797 823641281 /nfs/dbraw/zinc/64/12/81/823641281.db2.gz KSXYPLZJLNTOBQ-RBZQAINGSA-N 1 0 388.555 4.477 20 0 GIADRO Cc1ccc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c(F)c1Cl ZINC000461455602 823641324 /nfs/dbraw/zinc/64/13/24/823641324.db2.gz LSUBKSFGSVNYJH-ZWKOTPCHSA-N 1 0 386.898 4.382 20 0 GIADRO O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412267309 823641568 /nfs/dbraw/zinc/64/15/68/823641568.db2.gz HIYHZFBZGROPQX-XZOQPEGZSA-N 1 0 378.516 4.323 20 0 GIADRO COc1cc([C@H](C)[NH2+]C[C@H](O)CC2CCCC2)ccc1OCc1ccncc1 ZINC000191043982 823641602 /nfs/dbraw/zinc/64/16/02/823641602.db2.gz QNJNHCDTSOENAR-LAUBAEHRSA-N 1 0 384.520 4.261 20 0 GIADRO c1cn(-c2ccccc2)c(C[NH2+]CCCc2nc(-c3ccncc3)cs2)n1 ZINC000191043489 823641610 /nfs/dbraw/zinc/64/16/10/823641610.db2.gz QXTZSUUGSJZEQB-UHFFFAOYSA-N 1 0 375.501 4.113 20 0 GIADRO O=C(c1cc(F)c(Cl)cc1F)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461457009 823641617 /nfs/dbraw/zinc/64/16/17/823641617.db2.gz PASZGUCQQYUBQS-HOTGVXAUSA-N 1 0 390.861 4.212 20 0 GIADRO Cc1[nH]c2c(cccc2C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c1C ZINC000461457683 823641685 /nfs/dbraw/zinc/64/16/85/823641685.db2.gz QRSSOIXJCCTOHD-SFTDATJTSA-N 1 0 387.527 4.379 20 0 GIADRO Cc1cc(NC(=O)C2CC[NH+](Cc3ccc(C(F)(F)F)cc3C)CC2)no1 ZINC000191044400 823641812 /nfs/dbraw/zinc/64/18/12/823641812.db2.gz TWXWOVSHXMOEQF-UHFFFAOYSA-N 1 0 381.398 4.161 20 0 GIADRO CCOC(=O)C1CCC(O)(C[NH2+][C@@H](Cc2ccccc2)c2cccs2)CC1 ZINC000191051849 823642719 /nfs/dbraw/zinc/64/27/19/823642719.db2.gz MWOOMJBAAKMIFF-LVIWNVNYSA-N 1 0 387.545 4.106 20 0 GIADRO Cc1[nH]c2ccc(CNC(=O)NC[C@@H](c3ccc(C)cc3)[NH+](C)C)cc2c1C ZINC000062657432 823643539 /nfs/dbraw/zinc/64/35/39/823643539.db2.gz HJGISQBRSHRZDZ-QFIPXVFZSA-N 1 0 378.520 4.195 20 0 GIADRO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ncsc1C(F)(F)F ZINC000461470000 823643589 /nfs/dbraw/zinc/64/35/89/823643589.db2.gz RTSYSSYTBUSPEO-HNNXBMFYSA-N 1 0 397.466 4.194 20 0 GIADRO CC(C)(C)OC(=O)CN(C(=O)c1cccc(C[NH+]2CCCC2)c1)c1ccccc1 ZINC000461472001 823643814 /nfs/dbraw/zinc/64/38/14/823643814.db2.gz SZDYEYALSVSTBV-UHFFFAOYSA-N 1 0 394.515 4.271 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=S)Nc3cccc(C)c3)CC2)cc1 ZINC000062700200 823645053 /nfs/dbraw/zinc/64/50/53/823645053.db2.gz ORQPFEOUTPZHTF-UHFFFAOYSA-N 1 0 383.561 4.202 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]C[C@H](c2ccc(C)cc2)N2CCCC2)cc1NC(C)=O ZINC000125015606 823645250 /nfs/dbraw/zinc/64/52/50/823645250.db2.gz RHYPBRDOOYBORI-WZONZLPQSA-N 1 0 395.547 4.450 20 0 GIADRO CC[C@H](C(=O)N1CCCCC[C@H]1c1noc(-c2ccccc2)n1)[NH+](CC)CC ZINC000461485843 823646421 /nfs/dbraw/zinc/64/64/21/823646421.db2.gz ALPOGQUPNCFHJR-MOPGFXCFSA-N 1 0 384.524 4.301 20 0 GIADRO CC(=O)Nc1ccc(Cl)c(NC(=O)NCCC[N@@H+](C)C2CCCCC2)c1 ZINC000125038128 823647140 /nfs/dbraw/zinc/64/71/40/823647140.db2.gz QBFVMEUTLQNIDM-UHFFFAOYSA-N 1 0 380.920 4.075 20 0 GIADRO COc1cccc(CN(CC[NH+](C)C)C(=O)Nc2ccc3[nH]c(C)cc3c2)c1 ZINC000191090446 823647611 /nfs/dbraw/zinc/64/76/11/823647611.db2.gz PYFYQPBZOCIQCC-UHFFFAOYSA-N 1 0 380.492 4.081 20 0 GIADRO COc1ccc(OC)c([C@H](O)C[NH2+][C@@H](C)c2ccc(SC(F)F)cc2)c1 ZINC000125046603 823647797 /nfs/dbraw/zinc/64/77/97/823647797.db2.gz OOENYDFBMNZXCZ-YVEFUNNKSA-N 1 0 383.460 4.403 20 0 GIADRO Cn1ccnc1[C@@H](O)[C@@H]1CCC[N@H+](CCCCc2cccc(C(F)(F)F)c2)C1 ZINC000191092194 823647802 /nfs/dbraw/zinc/64/78/02/823647802.db2.gz APKQAFSJROQVIJ-MJGOQNOKSA-N 1 0 395.469 4.207 20 0 GIADRO CCC[N@H+](C)[C@@H](CNC(=O)Cc1cnccc1Cl)c1ccc(Cl)cc1 ZINC000412337706 823648026 /nfs/dbraw/zinc/64/80/26/823648026.db2.gz QUKXKIXGIPYXSG-SFHVURJKSA-N 1 0 380.319 4.130 20 0 GIADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H]1CCc2c1cccc2O ZINC000125062042 823649131 /nfs/dbraw/zinc/64/91/31/823649131.db2.gz LOUCJVRRRAOZLX-LJQANCHMSA-N 1 0 398.304 4.426 20 0 GIADRO C[C@H](CNC(=O)N1CCC(n2ccnc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000191101502 823649251 /nfs/dbraw/zinc/64/92/51/823649251.db2.gz WLWONQDUZUOGPB-CQSZACIVSA-N 1 0 380.414 4.052 20 0 GIADRO Cc1csc([C@@H](NC(=O)c2cccc(C[NH+]3CCCCC3)c2)C(F)(F)F)n1 ZINC000412357828 823649531 /nfs/dbraw/zinc/64/95/31/823649531.db2.gz ANTWLSCAKCTUSE-MRXNPFEDSA-N 1 0 397.466 4.471 20 0 GIADRO C[NH+](C)Cc1cccc(C(=O)Nc2cnn(-c3ccc(C(F)(F)F)cc3)c2)c1 ZINC000125070584 823649826 /nfs/dbraw/zinc/64/98/26/823649826.db2.gz FYDRCBDWZLZEKI-UHFFFAOYSA-N 1 0 388.393 4.205 20 0 GIADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)NCc2ccc(C(C)(C)C)cc2)CC1 ZINC000125069923 823649846 /nfs/dbraw/zinc/64/98/46/823649846.db2.gz CPBMSKPCPUOREA-UHFFFAOYSA-N 1 0 383.536 4.383 20 0 GIADRO Cc1noc(C)c1[C@H](C)CC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000125074039 823650094 /nfs/dbraw/zinc/65/00/94/823650094.db2.gz CGURDWGGFPDCIS-CRAIPNDOSA-N 1 0 389.565 4.436 20 0 GIADRO O=C(N[C@@H]1CCCc2sc(Cl)cc21)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412365826 823650164 /nfs/dbraw/zinc/65/01/64/823650164.db2.gz ROBWSODZYCRTEG-DZGCQCFKSA-N 1 0 384.998 4.113 20 0 GIADRO Cc1ccc(-c2cc(C(=O)NCC3CC[NH+](Cc4ccccc4)CC3)on2)cc1 ZINC000063080280 823650332 /nfs/dbraw/zinc/65/03/32/823650332.db2.gz ALEFPYLXUYPZAE-UHFFFAOYSA-N 1 0 389.499 4.292 20 0 GIADRO Cc1nc(-c2c[nH]c(C(=O)NCC3CC[NH+](Cc4ccccc4)CC3)c2)cs1 ZINC000063080857 823650477 /nfs/dbraw/zinc/65/04/77/823650477.db2.gz WWUZTERMUUNPAU-UHFFFAOYSA-N 1 0 394.544 4.089 20 0 GIADRO CC[C@@H](OC1CCCCC1)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000125083290 823650594 /nfs/dbraw/zinc/65/05/94/823650594.db2.gz PMUJFBVPEXMLCP-JOCHJYFZSA-N 1 0 387.568 4.283 20 0 GIADRO Cc1ccc(C)c(OCCC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000063081351 823650690 /nfs/dbraw/zinc/65/06/90/823650690.db2.gz GENSONCSIZGDKX-UHFFFAOYSA-N 1 0 380.532 4.101 20 0 GIADRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)c1cc(F)c(F)cc1Cl ZINC000063081390 823650731 /nfs/dbraw/zinc/65/07/31/823650731.db2.gz BNZRHXMWZYFDCO-UHFFFAOYSA-N 1 0 378.850 4.260 20 0 GIADRO O=C(N[C@H](c1ccc(F)c(Cl)c1)C1CC1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412382079 823651051 /nfs/dbraw/zinc/65/10/51/823651051.db2.gz LHDIFWSTFBCCCC-APWZRJJASA-N 1 0 396.959 4.264 20 0 GIADRO C[C@@H]1CN(C(=O)C[C@@H](c2ccc(O)cc2)C2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000412385629 823651575 /nfs/dbraw/zinc/65/15/75/823651575.db2.gz WYBPZECVRBYFHV-YADARESESA-N 1 0 392.543 4.256 20 0 GIADRO Cc1ccccc1-c1nnc(SCC[C@@H]2CCC[N@H+]2C)n1Cc1ccco1 ZINC000125105116 823652030 /nfs/dbraw/zinc/65/20/30/823652030.db2.gz ONVCHMYGJWWZIU-KRWDZBQOSA-N 1 0 382.533 4.471 20 0 GIADRO CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cnccn1)[NH+](C)C ZINC000063119291 823652053 /nfs/dbraw/zinc/65/20/53/823652053.db2.gz UXSSYHLJNBCPIX-SFHVURJKSA-N 1 0 395.334 4.012 20 0 GIADRO Cc1ccc(NNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000063142543 823652545 /nfs/dbraw/zinc/65/25/45/823652545.db2.gz ATLNJMBKSAIZMP-UHFFFAOYSA-N 1 0 388.968 4.104 20 0 GIADRO CC[C@@H](NC(=S)NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1OC ZINC000063148394 823653031 /nfs/dbraw/zinc/65/30/31/823653031.db2.gz PMLHFKBKMAAXQV-OAQYLSRUSA-N 1 0 397.588 4.275 20 0 GIADRO C[NH+]1CCC(NC(=S)Nc2ccc(OCc3ccccc3Cl)cc2)CC1 ZINC000063150079 823653193 /nfs/dbraw/zinc/65/31/93/823653193.db2.gz VHCLXGKGHPPFKA-UHFFFAOYSA-N 1 0 389.952 4.300 20 0 GIADRO Cc1ccnc(Oc2ccc(NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cc2)n1 ZINC000125125086 823653224 /nfs/dbraw/zinc/65/32/24/823653224.db2.gz QBNVQBKOUYYBHZ-GOSISDBHSA-N 1 0 385.512 4.065 20 0 GIADRO Cc1c([C@@H](C)[NH2+]C[C@@H](c2ccccc2Cl)N2CCOCC2)cnn1C(C)C ZINC000191144197 823653431 /nfs/dbraw/zinc/65/34/31/823653431.db2.gz DUPJZXZLARDNHM-IERDGZPVSA-N 1 0 390.959 4.150 20 0 GIADRO O=C(NC[C@@H]1CCCC[C@@H]1c1ccccc1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412406486 823653734 /nfs/dbraw/zinc/65/37/34/823653734.db2.gz YJIGJTASOSQEIK-BHDDXSALSA-N 1 0 386.605 4.294 20 0 GIADRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=S)NC1CC[NH+](C)CC1 ZINC000063173019 823653932 /nfs/dbraw/zinc/65/39/32/823653932.db2.gz YKMZCQQVDWHATC-UHFFFAOYSA-N 1 0 380.517 4.040 20 0 GIADRO CC[NH+](CC)CCSCC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 ZINC000461533515 823655079 /nfs/dbraw/zinc/65/50/79/823655079.db2.gz NEOCBHFNQCXORF-UHFFFAOYSA-N 1 0 388.581 4.183 20 0 GIADRO CC[NH+](CC)CCSCC(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000461548746 823657046 /nfs/dbraw/zinc/65/70/46/823657046.db2.gz ZCZDYUDNDMUGBB-IBGZPJMESA-N 1 0 380.554 4.168 20 0 GIADRO CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc(-c2ccccc2)s1 ZINC000191180990 823657078 /nfs/dbraw/zinc/65/70/78/823657078.db2.gz RWQSCGVPEQGMMK-HZPDHXFCSA-N 1 0 388.537 4.131 20 0 GIADRO CC(C)c1ccccc1NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC000191187459 823657586 /nfs/dbraw/zinc/65/75/86/823657586.db2.gz IOESGDARQOAVDK-RTBURBONSA-N 1 0 389.540 4.174 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)c3oc4ccccc4c3C)CC2)cc1 ZINC000063263496 823658060 /nfs/dbraw/zinc/65/80/60/823658060.db2.gz UUYAJADFSMXLMB-UHFFFAOYSA-N 1 0 392.499 4.392 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)c3c(C)[nH]c4ccccc43)CC2)cc1 ZINC000063263372 823658064 /nfs/dbraw/zinc/65/80/64/823658064.db2.gz CEOOENURASBPQQ-UHFFFAOYSA-N 1 0 391.515 4.127 20 0 GIADRO Cc1c([C@@H](C)[NH2+]Cc2cccc(NC(=O)c3ccncc3)c2)cnn1C(C)(C)C ZINC000191195030 823658284 /nfs/dbraw/zinc/65/82/84/823658284.db2.gz DAUMTFJZGGQSGU-MRXNPFEDSA-N 1 0 391.519 4.445 20 0 GIADRO CC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)C1 ZINC000125197211 823658585 /nfs/dbraw/zinc/65/85/85/823658585.db2.gz RANMZZXNUXHYNQ-DLBZAZTESA-N 1 0 395.503 4.006 20 0 GIADRO CC(=O)c1ccc2c(c1)CN(C(=O)[C@H](C)[NH+]1CCC(Cc3ccccc3)CC1)C2 ZINC000412529724 823659542 /nfs/dbraw/zinc/65/95/42/823659542.db2.gz AQBDXBXRTMUIPY-SFHVURJKSA-N 1 0 390.527 4.075 20 0 GIADRO CCc1ccc([C@@H](CC)[NH2+]Cc2ccccc2CS(=O)(=O)NC(C)C)cc1 ZINC000125224683 823660198 /nfs/dbraw/zinc/66/01/98/823660198.db2.gz WGAHXCJSISXRJA-JOCHJYFZSA-N 1 0 388.577 4.318 20 0 GIADRO CCOc1ccc(C(=O)N2CCC([NH2+][C@H](C)c3cnn(C(C)C)c3C)CC2)cc1 ZINC000191220027 823660335 /nfs/dbraw/zinc/66/03/35/823660335.db2.gz KVFJHQFXENSAPL-QGZVFWFLSA-N 1 0 398.551 4.127 20 0 GIADRO COC(=O)[C@H](C)c1cccc(NC(=O)c2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000412544237 823660793 /nfs/dbraw/zinc/66/07/93/823660793.db2.gz GPGZERVPPOVTKH-QGZVFWFLSA-N 1 0 380.488 4.201 20 0 GIADRO C[NH+](C)Cc1ccc(NC(=O)c2ccnc(SCC(F)(F)F)c2)c(F)c1 ZINC000412555353 823661775 /nfs/dbraw/zinc/66/17/75/823661775.db2.gz BTFZFLFDNLVZSB-UHFFFAOYSA-N 1 0 387.402 4.189 20 0 GIADRO Cc1noc(C)c1[C@@H](C)CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000125246592 823662072 /nfs/dbraw/zinc/66/20/72/823662072.db2.gz JUSSJYWAVIJGAP-KRWDZBQOSA-N 1 0 391.515 4.283 20 0 GIADRO Cc1cc(Br)ccc1CC(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000412561070 823662329 /nfs/dbraw/zinc/66/23/29/823662329.db2.gz RSERNFJGRNRKJD-UHFFFAOYSA-N 1 0 379.273 4.139 20 0 GIADRO C[C@H](Oc1cccc(Br)c1)C(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000412560881 823662343 /nfs/dbraw/zinc/66/23/43/823662343.db2.gz RGQOYVNYSOEYCU-LBPRGKRZSA-N 1 0 395.272 4.056 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)c1cc(SC)ccc1Cl ZINC000412560456 823662369 /nfs/dbraw/zinc/66/23/69/823662369.db2.gz BOCBNZUXAIEUOO-UHFFFAOYSA-N 1 0 394.924 4.263 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C)o1 ZINC000412560091 823662408 /nfs/dbraw/zinc/66/24/08/823662408.db2.gz ATDMVGJHLOZWGG-XOYOTBSWSA-N 1 0 398.503 4.094 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)[C@@H](C)c1ccc(Cl)s1 ZINC000412566500 823662900 /nfs/dbraw/zinc/66/29/00/823662900.db2.gz UPFTVABCSLHMKV-LBPRGKRZSA-N 1 0 382.913 4.093 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)c1cc2cc(C)c(C)cc2o1 ZINC000412563705 823662922 /nfs/dbraw/zinc/66/29/22/823662922.db2.gz LZZKHYYTUXRAOD-UHFFFAOYSA-N 1 0 382.460 4.251 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)NCc3ccc(C)cc3C)CC2)cc1 ZINC000063331135 823663261 /nfs/dbraw/zinc/66/32/61/823663261.db2.gz FWIHCAKSGFBZSC-UHFFFAOYSA-N 1 0 395.547 4.023 20 0 GIADRO COc1ccc([C@H]2CCCN2C(=O)NC2CC[NH+](CC3CCCC3)CC2)cc1 ZINC000063332024 823663330 /nfs/dbraw/zinc/66/33/30/823663330.db2.gz CGUQXHXXAJFUEZ-JOCHJYFZSA-N 1 0 385.552 4.196 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)CC1CC(c2ccccc2)C1 ZINC000412568254 823663344 /nfs/dbraw/zinc/66/33/44/823663344.db2.gz GGUSRISHAGEVSF-UHFFFAOYSA-N 1 0 382.504 4.158 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)N(C)Cc3ccc(C)cc3)CC2)cc1 ZINC000063331549 823663369 /nfs/dbraw/zinc/66/33/69/823663369.db2.gz QAYIADWEZFQCCI-UHFFFAOYSA-N 1 0 395.547 4.057 20 0 GIADRO C[NH+](C)Cc1ccc(NC(=O)[C@H]2CCN(c3ccccc3Cl)C2)c(F)c1 ZINC000412571833 823663588 /nfs/dbraw/zinc/66/35/88/823663588.db2.gz KFGRGGIPCJPYJV-HNNXBMFYSA-N 1 0 375.875 4.006 20 0 GIADRO C[C@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)C1([NH+]2CCOCC2)CCCC1 ZINC000461579447 823663846 /nfs/dbraw/zinc/66/38/46/823663846.db2.gz QMVVNYXKGWPWMG-FQEVSTJZSA-N 1 0 392.543 4.046 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCCC1)N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000063354143 823665211 /nfs/dbraw/zinc/66/52/11/823665211.db2.gz HNLPHIVXUUYZCJ-FCHUYYIVSA-N 1 0 381.495 4.167 20 0 GIADRO CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000125297633 823665844 /nfs/dbraw/zinc/66/58/44/823665844.db2.gz VXCNXKWDQBKVPH-MRXNPFEDSA-N 1 0 399.535 4.016 20 0 GIADRO Cc1ccc(-c2nc(CC(=O)N3CCC([N@H+]4CCC[C@@H]4C)CC3)cs2)cc1 ZINC000125305964 823666529 /nfs/dbraw/zinc/66/65/29/823666529.db2.gz CCDQODMXVMAYFL-KRWDZBQOSA-N 1 0 383.561 4.136 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)N[C@H](C)c2noc(-c3ccccc3)n2)cc1)C(C)C ZINC000125311411 823667050 /nfs/dbraw/zinc/66/70/50/823667050.db2.gz AIHDHCKNPAZFDV-QGZVFWFLSA-N 1 0 392.503 4.458 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)ccc1OC(C)C ZINC000125315091 823667255 /nfs/dbraw/zinc/66/72/55/823667255.db2.gz GAVAATRLZFRCPW-IRXDYDNUSA-N 1 0 380.492 4.475 20 0 GIADRO O=C(N[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412615911 823667525 /nfs/dbraw/zinc/66/75/25/823667525.db2.gz UWIAMRNSQRZUEV-SXLOBPIMSA-N 1 0 392.996 4.310 20 0 GIADRO Cc1ccc(-n2cccn2)cc1NC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000191287903 823667651 /nfs/dbraw/zinc/66/76/51/823667651.db2.gz UYUWMJCDFRPTIA-HXUWFJFHSA-N 1 0 395.551 4.157 20 0 GIADRO Cc1ccc(-n2cccn2)cc1NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000191295860 823668744 /nfs/dbraw/zinc/66/87/44/823668744.db2.gz ARRQUYCKWRBCJN-PMACEKPBSA-N 1 0 395.551 4.299 20 0 GIADRO CCn1cc([C@H](C)[NH2+]C2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cn1 ZINC000125361692 823670638 /nfs/dbraw/zinc/67/06/38/823670638.db2.gz HAHWTEOCMPHPJM-HNNXBMFYSA-N 1 0 380.458 4.237 20 0 GIADRO CC[NH+](CC)[C@H](C(=O)NC[C@@H]1C[C@@H](C)O[C@@H]1C)c1cccc(C(F)(F)F)c1 ZINC000412656463 823671514 /nfs/dbraw/zinc/67/15/14/823671514.db2.gz PIGZRNXBJHESQJ-DEICHXMPSA-N 1 0 386.458 4.018 20 0 GIADRO Cc1c([C@H](C)[NH2+]CC(=O)N2CCC(Cc3ccccc3)CC2)cnn1C(C)(C)C ZINC000191325193 823672050 /nfs/dbraw/zinc/67/20/50/823672050.db2.gz KTMJCVZEQMDTHM-SFHVURJKSA-N 1 0 396.579 4.078 20 0 GIADRO C[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccccc2NC(=O)c2ccccc2)CC1 ZINC000125391466 823672779 /nfs/dbraw/zinc/67/27/79/823672779.db2.gz WZOADMOBGBMSRJ-SFHVURJKSA-N 1 0 391.515 4.028 20 0 GIADRO CCCOc1ccc(CNC(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000063464334 823673193 /nfs/dbraw/zinc/67/31/93/823673193.db2.gz LDXZWLZTXXBSNB-JOCHJYFZSA-N 1 0 395.547 4.187 20 0 GIADRO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC[C@H]1Cc1ccccc1 ZINC000063463954 823673222 /nfs/dbraw/zinc/67/32/22/823673222.db2.gz JAPDVYZPECPFHF-RPWUZVMVSA-N 1 0 391.559 4.315 20 0 GIADRO COc1ccc(F)cc1[C@H](C)NC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000063464117 823673224 /nfs/dbraw/zinc/67/32/24/823673224.db2.gz PFRWDKLVWFXCPY-PKOBYXMFSA-N 1 0 399.510 4.107 20 0 GIADRO O=C(NCCc1ccc(Cl)s1)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000063464092 823673234 /nfs/dbraw/zinc/67/32/34/823673234.db2.gz XPPOBUFGMGZQBO-QGZVFWFLSA-N 1 0 391.968 4.155 20 0 GIADRO CCOc1ccc([C@H](C)NC(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000063464526 823673402 /nfs/dbraw/zinc/67/34/02/823673402.db2.gz RZXYGXUIHJWQDG-PZJWPPBQSA-N 1 0 395.547 4.358 20 0 GIADRO C[NH+](C)CCOc1ccccc1C(=O)N1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000412676258 823673840 /nfs/dbraw/zinc/67/38/40/823673840.db2.gz OVUUCAREOBCODU-NRFANRHFSA-N 1 0 378.516 4.037 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Nc1cccc(COCc2ccco2)c1)c1ccccc1 ZINC000125414772 823674428 /nfs/dbraw/zinc/67/44/28/823674428.db2.gz IOGZLCWYLUAFQF-QFIPXVFZSA-N 1 0 393.487 4.421 20 0 GIADRO Cc1cccc(C[N@@H+](Cc2ccccn2)C[C@H](O)COCc2cccs2)c1 ZINC000125419278 823674649 /nfs/dbraw/zinc/67/46/49/823674649.db2.gz BTLYNYMTHLCMAQ-NRFANRHFSA-N 1 0 382.529 4.031 20 0 GIADRO Cc1nn(C)c(=O)c(-c2nc(C[NH2+][C@@H]3CCC[C@@H]3CCC(C)C)cs2)c1C ZINC000191347897 823674878 /nfs/dbraw/zinc/67/48/78/823674878.db2.gz RXMSCNGPJYXMLM-SJLPKXTDSA-N 1 0 388.581 4.215 20 0 GIADRO COc1cc(OC)c(OC)cc1C[N@H+](CCc1csc(C)n1)C(C)(C)C ZINC000125429309 823675456 /nfs/dbraw/zinc/67/54/56/823675456.db2.gz DMUHYFNWUUPTIW-UHFFFAOYSA-N 1 0 378.538 4.321 20 0 GIADRO Cc1[nH]c2ccc(C(=O)N(CCCc3ccccc3)CC[NH+](C)C)cc2c1C ZINC000063485866 823675505 /nfs/dbraw/zinc/67/55/05/823675505.db2.gz OSVPTJBJSQYXGN-UHFFFAOYSA-N 1 0 377.532 4.421 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+](Cc1ccccc1)C1CC1 ZINC000063492177 823675704 /nfs/dbraw/zinc/67/57/04/823675704.db2.gz CAXSUVXJNFZXKK-UHFFFAOYSA-N 1 0 388.515 4.482 20 0 GIADRO C[C@H](c1ccc(Cl)cc1Cl)[N@H+](C)C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000063493118 823675929 /nfs/dbraw/zinc/67/59/29/823675929.db2.gz KVITVUYWSMWLHN-OCCSQVGLSA-N 1 0 398.286 4.155 20 0 GIADRO CCN(Cc1nc(-c2cccs2)no1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000063510867 823677116 /nfs/dbraw/zinc/67/71/16/823677116.db2.gz NOWXPITUPYXPFP-WMZOPIPTSA-N 1 0 382.533 4.456 20 0 GIADRO C[C@@H](NC(=O)c1oc2ccccc2c1C[NH+](C)C)c1noc(-c2ccccc2)n1 ZINC000125454127 823677569 /nfs/dbraw/zinc/67/75/69/823677569.db2.gz LIDSWCNQSUWRGG-CQSZACIVSA-N 1 0 390.443 4.035 20 0 GIADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@H]1c2ccccc2O[C@@H]1C ZINC000461668037 823678009 /nfs/dbraw/zinc/67/80/09/823678009.db2.gz UWJAMRLXBDOUMF-OXQOHEQNSA-N 1 0 387.549 4.124 20 0 GIADRO Cc1cc(C)n(Cc2cccc(C(=O)Nc3cccc(C[NH+]4CCCC4)c3)c2)n1 ZINC000063537902 823678266 /nfs/dbraw/zinc/67/82/66/823678266.db2.gz ZAUUJZKEAZTWJV-UHFFFAOYSA-N 1 0 388.515 4.396 20 0 GIADRO CCO[C@H]1C[C@@H](O)C12CCN(c1cc[nH+]c3cc(C(F)(F)F)ccc31)CC2 ZINC000125465532 823678368 /nfs/dbraw/zinc/67/83/68/823678368.db2.gz RGKHGFHYABNNOE-MSOLQXFVSA-N 1 0 380.410 4.010 20 0 GIADRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]Cc1nnc(-c2ccccc2Br)o1 ZINC000191388693 823679340 /nfs/dbraw/zinc/67/93/40/823679340.db2.gz AEUFVUFYLYASCT-LSDHHAIUSA-N 1 0 394.313 4.182 20 0 GIADRO CC(C)[N@@H+]1CCC[C@H](CNC(=S)NCCSc2ccc(Cl)cc2)C1 ZINC000063565724 823679729 /nfs/dbraw/zinc/67/97/29/823679729.db2.gz CHHXPFOIRZRCLP-OAHLLOKOSA-N 1 0 386.030 4.017 20 0 GIADRO COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC(OC2CCCCC2)CC1 ZINC000125482093 823679815 /nfs/dbraw/zinc/67/98/15/823679815.db2.gz HCJXMQQBPKXADR-QZTJIDSGSA-N 1 0 388.552 4.075 20 0 GIADRO C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2cc3cc(Br)ccc3[nH]2)CC1 ZINC000125484798 823679855 /nfs/dbraw/zinc/67/98/55/823679855.db2.gz DEJKYVVUKLVNFG-CYBMUJFWSA-N 1 0 390.325 4.019 20 0 GIADRO CC(C)N(C)c1ccc(CNc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000191392402 823679857 /nfs/dbraw/zinc/67/98/57/823679857.db2.gz YOERLDFHUKPYKM-KDURUIRLSA-N 1 0 382.552 4.148 20 0 GIADRO Cc1ccc([C@@H](OC[C@H](O)C[N@@H+](C(C)C)C2CCOCC2)c2ccccc2)cc1 ZINC000125490777 823680428 /nfs/dbraw/zinc/68/04/28/823680428.db2.gz YVQSYQOJXWCVRV-RPBOFIJWSA-N 1 0 397.559 4.351 20 0 GIADRO c1ccc(Oc2ccc(-c3noc([C@H]4CCC[N@@H+]4C4CCOCC4)n3)cn2)cc1 ZINC000125504090 823681391 /nfs/dbraw/zinc/68/13/91/823681391.db2.gz ACLQRIKGHGRKLN-LJQANCHMSA-N 1 0 392.459 4.240 20 0 GIADRO C[C@@H](NC(=O)CCCCc1ccc(Br)cc1)C(C)(C)C[NH+](C)C ZINC000461695824 823682861 /nfs/dbraw/zinc/68/28/61/823682861.db2.gz GYALYDGRZRNOHN-OAHLLOKOSA-N 1 0 383.374 4.254 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)N[C@@H]2COc3cccc(Cl)c32)C1 ZINC000461697365 823683187 /nfs/dbraw/zinc/68/31/87/823683187.db2.gz CWHZYGVCDSADNO-SOLBZPMBSA-N 1 0 391.943 4.070 20 0 GIADRO CC(C)[N@H+](CC(=O)N1CCO[C@@H](C)C1)Cc1ccc(-c2cccc(F)c2)s1 ZINC000063615093 823683413 /nfs/dbraw/zinc/68/34/13/823683413.db2.gz IBMHBORMFGOAIJ-INIZCTEOSA-N 1 0 390.524 4.012 20 0 GIADRO CCCC(=O)Nc1cccc(NC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000125538063 823683431 /nfs/dbraw/zinc/68/34/31/823683431.db2.gz LPKKLCADOPSUGK-OAQYLSRUSA-N 1 0 394.519 4.211 20 0 GIADRO Cc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccc3c(c2)OCCCO3)cc1C ZINC000063619273 823683529 /nfs/dbraw/zinc/68/35/29/823683529.db2.gz LEDXKLYQUOSUMK-HXUWFJFHSA-N 1 0 380.488 4.240 20 0 GIADRO O=C(Nc1ccccc1O)C1CC[NH+](CCc2c(F)cccc2Cl)CC1 ZINC000125536847 823683577 /nfs/dbraw/zinc/68/35/77/823683577.db2.gz XBVMFYTXZMKPBJ-UHFFFAOYSA-N 1 0 376.859 4.078 20 0 GIADRO COCCN(C)c1ccc(C[N@H+](C)[C@H](C)c2sc(C(C)C)nc2C)cn1 ZINC000191427002 823684079 /nfs/dbraw/zinc/68/40/79/823684079.db2.gz LZELJOKZGHGBFF-MRXNPFEDSA-N 1 0 376.570 4.246 20 0 GIADRO CC(C)C[NH+]1CCC(C(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)CC1 ZINC000063647497 823686594 /nfs/dbraw/zinc/68/65/94/823686594.db2.gz LZBZJRLAPSTTLB-UHFFFAOYSA-N 1 0 382.552 4.361 20 0 GIADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCCCC[C@H]1c1ccncc1 ZINC000461716808 823686716 /nfs/dbraw/zinc/68/67/16/823686716.db2.gz QDMVNBGQINJXHM-KNQAVFIVSA-N 1 0 380.536 4.229 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)cnn1C(C)C ZINC000191459872 823687554 /nfs/dbraw/zinc/68/75/54/823687554.db2.gz OHIGVPTWNYJQPE-SGTLLEGYSA-N 1 0 378.879 4.021 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1csc(-c2ccccc2F)n1 ZINC000063663501 823687763 /nfs/dbraw/zinc/68/77/63/823687763.db2.gz LTGUJDNXXJTTDS-UHFFFAOYSA-N 1 0 395.503 4.344 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)c(CC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)s1 ZINC000063693637 823689698 /nfs/dbraw/zinc/68/96/98/823689698.db2.gz FWISEDMMUZAHLX-GOSISDBHSA-N 1 0 385.577 4.206 20 0 GIADRO COc1cccc([C@@H]2[C@@H]([NH2+][C@@H](C)c3cnn(C(C)C)c3C)CCN2C2CC2)c1 ZINC000191487758 823690352 /nfs/dbraw/zinc/69/03/52/823690352.db2.gz CSMQUFJBDBZXFN-IRBZQWRBSA-N 1 0 382.552 4.410 20 0 GIADRO Cc1c([C@@H](C)[NH2+]CCCc2nc(-c3ccc(F)cc3)no2)cnn1C(C)(C)C ZINC000191495165 823691247 /nfs/dbraw/zinc/69/12/47/823691247.db2.gz MSPZGQQFSKNFQK-CQSZACIVSA-N 1 0 385.487 4.419 20 0 GIADRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)CC1 ZINC000063722848 823691523 /nfs/dbraw/zinc/69/15/23/823691523.db2.gz JEIULDBCUDEYGT-UHFFFAOYSA-N 1 0 397.494 4.024 20 0 GIADRO Cc1cccc(C[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)n1 ZINC000191498627 823691861 /nfs/dbraw/zinc/69/18/61/823691861.db2.gz VVWSCPNVZJSWQI-LJQANCHMSA-N 1 0 375.310 4.410 20 0 GIADRO CCN(C(=O)NC[C@@H]1COc2ccccc21)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000461752241 823691873 /nfs/dbraw/zinc/69/18/73/823691873.db2.gz RUZKQBHZLQILRK-NRSPTQNISA-N 1 0 393.531 4.030 20 0 GIADRO CCN(CC)c1nc2sc(C(=O)N3CCC[N@@H+](C(C)(C)C)CC3)cc2s1 ZINC000063727961 823692268 /nfs/dbraw/zinc/69/22/68/823692268.db2.gz XVVLGDSFHDGNKN-UHFFFAOYSA-N 1 0 394.610 4.150 20 0 GIADRO C[C@H](C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)c1cccc(Br)c1 ZINC000461757525 823692431 /nfs/dbraw/zinc/69/24/31/823692431.db2.gz RBYRYXSZAOTVIY-UGSOOPFHSA-N 1 0 393.300 4.111 20 0 GIADRO CCCn1ccnc1CCC[N@H+](C)[C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000191508418 823693228 /nfs/dbraw/zinc/69/32/28/823693228.db2.gz POCRVYSOCKSJGE-INIZCTEOSA-N 1 0 385.487 4.416 20 0 GIADRO COc1ccc2nc(C)c(C(=O)N3CCC(C[NH+]4CCCCCC4)CC3)cc2c1 ZINC000063745675 823693372 /nfs/dbraw/zinc/69/33/72/823693372.db2.gz BBFAUCIZUNCIME-UHFFFAOYSA-N 1 0 395.547 4.280 20 0 GIADRO NC(=O)c1ccc(NC(=O)CC[N@H+]2CC=C(c3cccc4ccccc43)CC2)cc1 ZINC000063762545 823693993 /nfs/dbraw/zinc/69/39/93/823693993.db2.gz XWVWIJLKMRHTQE-UHFFFAOYSA-N 1 0 399.494 4.057 20 0 GIADRO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1ccccc1C(=O)c1ccc(F)cc1 ZINC000063771492 823694504 /nfs/dbraw/zinc/69/45/04/823694504.db2.gz WTFABGWXJIJTNT-UHFFFAOYSA-N 1 0 396.506 4.393 20 0 GIADRO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1cc2ccc(Br)cc2[nH]1 ZINC000063771495 823694538 /nfs/dbraw/zinc/69/45/38/823694538.db2.gz ZKCGJKSCXDRHBA-UHFFFAOYSA-N 1 0 392.341 4.267 20 0 GIADRO CC(C)(CO)CCC[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000191518191 823694595 /nfs/dbraw/zinc/69/45/95/823694595.db2.gz IBYATFBHQNEGPJ-SFHVURJKSA-N 1 0 384.358 4.305 20 0 GIADRO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1ccccc1NC(=O)c1ccccc1 ZINC000063771602 823694730 /nfs/dbraw/zinc/69/47/30/823694730.db2.gz OCAQCXAIQZXLBR-UHFFFAOYSA-N 1 0 393.531 4.275 20 0 GIADRO COc1ccc(C(C)(C)C[NH2+][C@@H](C)C(=O)Nc2ccccc2OC(F)F)cc1 ZINC000063774546 823694916 /nfs/dbraw/zinc/69/49/16/823694916.db2.gz HWMREYJICRFYSG-AWEZNQCLSA-N 1 0 392.446 4.191 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)NCc2cccc3ccccc32)CC1 ZINC000063776790 823695094 /nfs/dbraw/zinc/69/50/94/823695094.db2.gz XRXXNLGYQLYFIQ-UHFFFAOYSA-N 1 0 388.515 4.303 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C)cc1O[C@@H]1CCOC1)CCS2 ZINC000191525233 823695288 /nfs/dbraw/zinc/69/52/88/823695288.db2.gz HZCUYMOHUSBZMP-UYAOXDASSA-N 1 0 385.529 4.498 20 0 GIADRO O=C(NCCC[NH2+]C1CCCCC1)Nc1cccc(NC(=O)c2ccccc2)c1 ZINC000125671669 823695468 /nfs/dbraw/zinc/69/54/68/823695468.db2.gz URZQYSYBBQAHSU-UHFFFAOYSA-N 1 0 394.519 4.373 20 0 GIADRO COCCN1CCC([NH2+][C@H](c2cccs2)c2ccc3c(c2)CCCC3)CC1 ZINC000461788646 823695513 /nfs/dbraw/zinc/69/55/13/823695513.db2.gz AQODIUDXOOOFKE-QHCPKHFHSA-N 1 0 384.589 4.417 20 0 GIADRO CCc1nc(C)c([C@@H](C)[NH2+]Cc2ccc(C)nc2-n2cc(Cl)cn2)s1 ZINC000191527733 823695792 /nfs/dbraw/zinc/69/57/92/823695792.db2.gz UTQIGJXCGLXZGZ-GFCCVEGCSA-N 1 0 375.929 4.407 20 0 GIADRO Cc1ccc(C[NH2+][C@@H](C)c2cc(F)c(F)c(F)c2)c(-n2cc(Cl)cn2)n1 ZINC000191530019 823695927 /nfs/dbraw/zinc/69/59/27/823695927.db2.gz BXZTZVXPWIEMHD-NSHDSACASA-N 1 0 380.801 4.497 20 0 GIADRO C[NH+](C)CCOc1ccc(CNC(=O)N[C@@H]2CCC(C)(C)c3ccccc32)cc1 ZINC000063788459 823696058 /nfs/dbraw/zinc/69/60/58/823696058.db2.gz DDQWPZSUYUEDBJ-JOCHJYFZSA-N 1 0 395.547 4.239 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=S)NC1CCCCC1 ZINC000063790060 823696450 /nfs/dbraw/zinc/69/64/50/823696450.db2.gz PSHIAPHCPZFDCN-UHFFFAOYSA-N 1 0 398.414 4.020 20 0 GIADRO CC(=O)Oc1ccc(C[N@H+](CCc2ccccn2)Cc2ccc(F)cc2)cc1 ZINC000125686463 823696786 /nfs/dbraw/zinc/69/67/86/823696786.db2.gz MBXFUYUNJJTOSR-UHFFFAOYSA-N 1 0 378.447 4.391 20 0 GIADRO Cc1ccc(C[NH2+][C@@H]2CCCOc3cc(F)ccc32)c(-n2cc(Cl)cn2)n1 ZINC000191534791 823696866 /nfs/dbraw/zinc/69/68/66/823696866.db2.gz PPLOZFITAGQEHO-GOSISDBHSA-N 1 0 386.858 4.372 20 0 GIADRO Cc1ccccc1NC(=S)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000063793860 823697080 /nfs/dbraw/zinc/69/70/80/823697080.db2.gz INHNNXXNHHTQKK-UHFFFAOYSA-N 1 0 380.561 4.336 20 0 GIADRO CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000461799040 823697181 /nfs/dbraw/zinc/69/71/81/823697181.db2.gz VVOPURNAKLLXKK-INIZCTEOSA-N 1 0 388.581 4.306 20 0 GIADRO CC1(C)C[C@H]([NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)CCO1 ZINC000191537698 823697388 /nfs/dbraw/zinc/69/73/88/823697388.db2.gz OQTNZBBIXDCPJQ-MSOLQXFVSA-N 1 0 382.342 4.464 20 0 GIADRO COc1ccc(CN(C)C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000063799603 823697951 /nfs/dbraw/zinc/69/79/51/823697951.db2.gz JEBMFXLNESGTND-UHFFFAOYSA-N 1 0 395.547 4.413 20 0 GIADRO Cc1c(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)cnn1-c1cccc(Cl)c1 ZINC000063804145 823698296 /nfs/dbraw/zinc/69/82/96/823698296.db2.gz NGVFRGHOBRJMDY-HXUWFJFHSA-N 1 0 388.943 4.074 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)C1(c2cccc(Cl)c2)CCOCC1)C1CCCCC1 ZINC000063803860 823698351 /nfs/dbraw/zinc/69/83/51/823698351.db2.gz MRYJRLPPIGSXIW-HXUWFJFHSA-N 1 0 392.971 4.015 20 0 GIADRO Brc1cccc([C@H]([NH2+][C@H]2CCO[C@H](C3CC3)C2)C2CCOCC2)c1 ZINC000191549055 823698427 /nfs/dbraw/zinc/69/84/27/823698427.db2.gz HILZNVITIQGZGN-SLFFLAALSA-N 1 0 394.353 4.464 20 0 GIADRO c1nnc(SCc2ccc(C[NH+]3CCCCC3)cc2)n1CCc1ccccn1 ZINC000412992803 823698635 /nfs/dbraw/zinc/69/86/35/823698635.db2.gz LQBGFEQNYXNAJX-UHFFFAOYSA-N 1 0 393.560 4.194 20 0 GIADRO CCOC(=O)c1csc(CC[NH2+][C@@H](C)c2sc(C(C)(C)C)nc2C)n1 ZINC000191552553 823698767 /nfs/dbraw/zinc/69/87/67/823698767.db2.gz WJTGXMBTFLBVAE-NSHDSACASA-N 1 0 381.567 4.276 20 0 GIADRO CCOC(=O)c1csc(CC[NH2+][C@@H](C)c2cc(Cl)ccc2OCC)n1 ZINC000191554898 823699061 /nfs/dbraw/zinc/69/90/61/823699061.db2.gz IREFYZDVRDZCDO-LBPRGKRZSA-N 1 0 382.913 4.265 20 0 GIADRO CCOC(=O)c1csc(C2CC[NH+](Cc3cccc(OC(F)F)c3)CC2)n1 ZINC000191562938 823700128 /nfs/dbraw/zinc/70/01/28/823700128.db2.gz WXHLGVJLXJPFPF-UHFFFAOYSA-N 1 0 396.459 4.301 20 0 GIADRO COc1cc2[nH+]ccc(N3CCC(C(=O)c4ccccc4)CC3)c2cc1OC ZINC000413034390 823700778 /nfs/dbraw/zinc/70/07/78/823700778.db2.gz MNHPGRHOBYMRLT-UHFFFAOYSA-N 1 0 376.456 4.351 20 0 GIADRO CCOC(=O)c1csc(CC[NH2+][C@H](C)c2nc(-c3ccccc3)cs2)n1 ZINC000191565512 823700866 /nfs/dbraw/zinc/70/08/66/823700866.db2.gz SZNVWPPDSFCOIQ-CYBMUJFWSA-N 1 0 387.530 4.337 20 0 GIADRO CCOC(=O)c1csc(C2CC[NH+](CCOc3ccccc3Cl)CC2)n1 ZINC000191575947 823702884 /nfs/dbraw/zinc/70/28/84/823702884.db2.gz UMYDIDUIFCBYQM-UHFFFAOYSA-N 1 0 394.924 4.232 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2OC)cc1 ZINC000163357733 823703801 /nfs/dbraw/zinc/70/38/01/823703801.db2.gz HNZBZXMPYJYVHH-KGLIPLIRSA-N 1 0 380.485 4.008 20 0 GIADRO C[C@H]([NH2+][C@H]1CCN(c2cccc(Cl)c2)C1)c1ccc(N2CCOC2=O)cc1 ZINC000163362751 823704114 /nfs/dbraw/zinc/70/41/14/823704114.db2.gz BBJGVWIGIVILLC-YJBOKZPZSA-N 1 0 385.895 4.226 20 0 GIADRO Cc1cccc([C@@H](NC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)C(F)(F)F)c1 ZINC000163374165 823704857 /nfs/dbraw/zinc/70/48/57/823704857.db2.gz UXYDEOCEYBPNEU-FUHWJXTLSA-N 1 0 383.458 4.116 20 0 GIADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)N[C@@H](c2cccc(F)c2)c2ccccn2)C1 ZINC000125758435 823705196 /nfs/dbraw/zinc/70/51/96/823705196.db2.gz NWVNYMAPYXTUSJ-GCJKJVERSA-N 1 0 398.526 4.121 20 0 GIADRO Cc1cc(-c2nnc(C[N@@H+]3CCCCC[C@@H]3C[C@H](O)c3ccco3)o2)c(C)o1 ZINC000163399923 823706496 /nfs/dbraw/zinc/70/64/96/823706496.db2.gz JUIGXVHJRPJGNR-AEFFLSMTSA-N 1 0 385.464 4.408 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)CCc1ccc2c(c1)OCO2)c1nc(Cc2ccccc2)no1 ZINC000191596263 823707048 /nfs/dbraw/zinc/70/70/48/823707048.db2.gz REHWIWRORRIAOB-JKSUJKDBSA-N 1 0 379.460 4.061 20 0 GIADRO COCC[C@H](Cc1cccc(F)c1)[NH2+][C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000191597011 823707366 /nfs/dbraw/zinc/70/73/66/823707366.db2.gz CKDLCVAUAJAHGF-OXJNMPFZSA-N 1 0 383.467 4.098 20 0 GIADRO Cc1noc(-c2ccccc2C(=O)Nc2cc(C[NH+]3CCCC3)ccc2C)n1 ZINC000163421011 823707817 /nfs/dbraw/zinc/70/78/17/823707817.db2.gz WYHLUIYZUZXIPS-UHFFFAOYSA-N 1 0 376.460 4.202 20 0 GIADRO CC[C@@H](C)n1ncc(C(=O)NC2CC[NH+](Cc3ccsc3)CC2)c1C1CC1 ZINC000125776251 823707911 /nfs/dbraw/zinc/70/79/11/823707911.db2.gz FCQJZNHDIAYNNR-OAHLLOKOSA-N 1 0 386.565 4.187 20 0 GIADRO CC(C)Cc1ccc([C@H](C[NH2+]Cc2cnn(CC(F)(F)F)c2)N(C)C)cc1 ZINC000574361134 823708380 /nfs/dbraw/zinc/70/83/80/823708380.db2.gz JWUYJQNBBUYEQI-IBGZPJMESA-N 1 0 382.474 4.036 20 0 GIADRO COc1ccc(Oc2cc(C[NH2+][C@H](C)c3ccc4c(c3)OCO4)ccn2)cc1 ZINC000163439948 823709681 /nfs/dbraw/zinc/70/96/81/823709681.db2.gz JDQAJLYBTDSABS-OAHLLOKOSA-N 1 0 378.428 4.462 20 0 GIADRO COc1cc([C@H](C)[NH2+]C[C@@H](Cc2ccccc2)C(C)C)ccc1S(C)(=O)=O ZINC000191603942 823709804 /nfs/dbraw/zinc/70/98/04/823709804.db2.gz WWXZCWTZGJTZGO-FXAWDEMLSA-N 1 0 389.561 4.264 20 0 GIADRO Cc1ccccc1-c1nnc(N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)n1C ZINC000574367011 823710294 /nfs/dbraw/zinc/71/02/94/823710294.db2.gz OIQCKYQQKGRPOY-UHFFFAOYSA-N 1 0 395.938 4.156 20 0 GIADRO CN(Cc1ccc(Br)cc1)C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000063914297 823710508 /nfs/dbraw/zinc/71/05/08/823710508.db2.gz FZPMZWWRMMUBRV-UHFFFAOYSA-N 1 0 387.321 4.317 20 0 GIADRO COC(=O)COc1c(C)cc(C[NH2+][C@H](C)c2ccc(OC(C)C)cc2)cc1C ZINC000063914984 823710518 /nfs/dbraw/zinc/71/05/18/823710518.db2.gz LQELYPYQSGANBO-GOSISDBHSA-N 1 0 385.504 4.493 20 0 GIADRO Cc1ccc(N2CCC([NH2+][C@@H]3CCc4cc(Br)ccc43)CC2)nc1 ZINC000163459313 823711450 /nfs/dbraw/zinc/71/14/50/823711450.db2.gz CQHJJIAAZNJKFB-LJQANCHMSA-N 1 0 386.337 4.398 20 0 GIADRO OCC[C@@]1(C[NH2+][C@@H](Cc2ccc(F)cc2)c2ccccc2Cl)CCOC1 ZINC000125792836 823712046 /nfs/dbraw/zinc/71/20/46/823712046.db2.gz FKEIDURDSOVBMP-SFTDATJTSA-N 1 0 377.887 4.142 20 0 GIADRO Cc1ccc(NCc2ccc(OCC3CC3)cc2)cc1NC(=O)CC[NH+](C)C ZINC000191610485 823712184 /nfs/dbraw/zinc/71/21/84/823712184.db2.gz KZGVKKZYIQBFJO-UHFFFAOYSA-N 1 0 381.520 4.286 20 0 GIADRO O[C@H](COc1c(Cl)cccc1Cl)C[NH+]1CCC(c2ccncc2)CC1 ZINC000191611510 823712311 /nfs/dbraw/zinc/71/23/11/823712311.db2.gz RFKVMSJJZGPBFO-INIZCTEOSA-N 1 0 381.303 4.008 20 0 GIADRO Cc1nc(-c2cc([C@H](C)[NH2+][C@@H]3CCN(CC(F)(F)F)C3)cs2)cs1 ZINC000125803309 823714862 /nfs/dbraw/zinc/71/48/62/823714862.db2.gz ARWPLIBMYIZSGA-GXFFZTMASA-N 1 0 375.485 4.467 20 0 GIADRO CS[C@H](C)CC(=O)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000125807064 823715683 /nfs/dbraw/zinc/71/56/83/823715683.db2.gz UQWFMUBUUZIXSD-WBVHZDCISA-N 1 0 388.499 4.041 20 0 GIADRO CCOc1ccc([C@H]2CCCN2C(=O)C[NH+]2CCC(c3ccncc3)CC2)cc1 ZINC000191619913 823715920 /nfs/dbraw/zinc/71/59/20/823715920.db2.gz OXWCDNRTNHVNNN-HSZRJFAPSA-N 1 0 393.531 4.023 20 0 GIADRO C[C@@H]1C[C@@H](CNC(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)[C@H](C)O1 ZINC000413157960 823717923 /nfs/dbraw/zinc/71/79/23/823717923.db2.gz USYYDGOILFAMIR-LQWHRVPQSA-N 1 0 387.568 4.064 20 0 GIADRO C[C@@H]([NH2+]CCN1CCc2ccccc2C1=O)[C@H](C)c1nc2ccccc2s1 ZINC000191628349 823718163 /nfs/dbraw/zinc/71/81/63/823718163.db2.gz ZKXFWVIDEIQJJP-JKSUJKDBSA-N 1 0 379.529 4.076 20 0 GIADRO Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000574398441 823719563 /nfs/dbraw/zinc/71/95/63/823719563.db2.gz AXRWKJWDXQEFGV-GXFFZTMASA-N 1 0 382.291 4.156 20 0 GIADRO COc1cccc(Cl)c1C[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000191634013 823720028 /nfs/dbraw/zinc/72/00/28/823720028.db2.gz KGYAZJMRZOPONB-UHFFFAOYSA-N 1 0 386.673 4.115 20 0 GIADRO [NH3+][C@H](CC(=O)Nc1cccc(COCC(F)(F)C(F)F)c1)c1ccccc1 ZINC000163568831 823723419 /nfs/dbraw/zinc/72/34/19/823723419.db2.gz NITHWCWXFDHJKH-MRXNPFEDSA-N 1 0 384.373 4.132 20 0 GIADRO COc1cc(OC)cc(C2(F)CC[NH+](CCc3nc4ccccc4n3C)CC2)c1 ZINC000574415958 823723973 /nfs/dbraw/zinc/72/39/73/823723973.db2.gz CMYVTRSTMQBHLG-UHFFFAOYSA-N 1 0 397.494 4.094 20 0 GIADRO COc1ccc(-c2nc(C[N@@H+]3CCC[C@@]3(CO)CC(C)C)cs2)c(OC)c1 ZINC000191649762 823724002 /nfs/dbraw/zinc/72/40/02/823724002.db2.gz DLUAZIJVXGTOCG-NRFANRHFSA-N 1 0 390.549 4.200 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)[C@@H]3C[C@@H]3c3sccc3C)CC2)cc1 ZINC000163577113 823724279 /nfs/dbraw/zinc/72/42/79/823724279.db2.gz LZXBKLQYCAIHTL-LEWJYISDSA-N 1 0 398.572 4.197 20 0 GIADRO C[C@H]([NH2+]C1(CNC(=O)c2csc(Cl)c2)CCOCC1)c1ccccc1 ZINC000191651285 823724470 /nfs/dbraw/zinc/72/44/70/823724470.db2.gz OLEMDTHBPPYJDB-AWEZNQCLSA-N 1 0 378.925 4.031 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@@H]2CCc3c2cccc3F)ccc1S(=O)(=O)C(F)F ZINC000163583431 823724966 /nfs/dbraw/zinc/72/49/66/823724966.db2.gz HXDAKPMSWANBLO-MEDUHNTESA-N 1 0 399.434 4.169 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)c(CC(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)s1 ZINC000163586962 823725727 /nfs/dbraw/zinc/72/57/27/823725727.db2.gz BPJUGSJXIWOFCC-LJQANCHMSA-N 1 0 399.604 4.454 20 0 GIADRO CC(C)C[C@]1(CO)CCC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000191661097 823726140 /nfs/dbraw/zinc/72/61/40/823726140.db2.gz ZIIPTBDAGKCBRE-KRWDZBQOSA-N 1 0 392.849 4.170 20 0 GIADRO O=C(NC[C@@H](Cc1ccccc1)C(F)(F)F)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000574424932 823726091 /nfs/dbraw/zinc/72/60/91/823726091.db2.gz LRHUKLBIXGSOLQ-OAHLLOKOSA-N 1 0 395.400 4.014 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cc(-c3ccccn3)no2)cc1 ZINC000461865012 823727073 /nfs/dbraw/zinc/72/70/73/823727073.db2.gz GEFXNIMFSMSPNK-MRXNPFEDSA-N 1 0 376.460 4.363 20 0 GIADRO CCN(Cc1occc1C)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000413205948 823727770 /nfs/dbraw/zinc/72/77/70/823727770.db2.gz QLHYJBHWWYGTCK-QGZVFWFLSA-N 1 0 375.538 4.093 20 0 GIADRO COCCOCc1ccc(C[NH2+]C2(c3cccc(Br)c3)CC2)cc1 ZINC000574432460 823727841 /nfs/dbraw/zinc/72/78/41/823727841.db2.gz VVPUTDWQZBRFEK-UHFFFAOYSA-N 1 0 390.321 4.391 20 0 GIADRO CS(=O)(=O)Cc1ccc(C[NH2+][C@H]2CCc3c2ccc(Cl)c3Cl)cc1 ZINC000125852084 823728763 /nfs/dbraw/zinc/72/87/63/823728763.db2.gz KRIIRIPDROOVFK-KRWDZBQOSA-N 1 0 384.328 4.315 20 0 GIADRO Fc1ccc(OC2CC[NH+](Cc3ccccc3OCc3ccccn3)CC2)cn1 ZINC000191674451 823729141 /nfs/dbraw/zinc/72/91/41/823729141.db2.gz SUWUFGNGHGLSFT-UHFFFAOYSA-N 1 0 393.462 4.238 20 0 GIADRO COC1CCN(CC[NH2+][C@@H](C)c2sc(-c3ccc(F)cc3)nc2C)CC1 ZINC000163628268 823729786 /nfs/dbraw/zinc/72/97/86/823729786.db2.gz AVRDHSXCGKFHHN-AWEZNQCLSA-N 1 0 377.529 4.019 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCCc2nc(-c3ccccc3F)sc21)C(=O)NC(C)(C)C ZINC000163637413 823730318 /nfs/dbraw/zinc/73/03/18/823730318.db2.gz WMIAOHXYFDRLQD-DOMZBBRYSA-N 1 0 375.513 4.219 20 0 GIADRO COc1cccc(CNc2cc(C)cc(N3CC[NH+](C(C)C)CC3)c2)c1OC ZINC000191680077 823731127 /nfs/dbraw/zinc/73/11/27/823731127.db2.gz BXPFQBSORZKQTO-UHFFFAOYSA-N 1 0 383.536 4.155 20 0 GIADRO Cc1cccnc1C(C)(C)C[NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000574443039 823731816 /nfs/dbraw/zinc/73/18/16/823731816.db2.gz OBZIGMGTVVBSCH-UHFFFAOYSA-N 1 0 390.318 4.345 20 0 GIADRO C[C@@H](SCC1CC[NH2+]CC1)c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3 ZINC000574450352 823733789 /nfs/dbraw/zinc/73/37/89/823733789.db2.gz NXAALIDNMRKEOM-NWDGAFQWSA-N 1 0 377.579 4.316 20 0 GIADRO CC(C)([NH2+]CC(=O)Nc1cccnc1Cl)c1ccc(OC(F)(F)F)cc1 ZINC000191690417 823735472 /nfs/dbraw/zinc/73/54/72/823735472.db2.gz HSQPAHASCQXJHG-UHFFFAOYSA-N 1 0 387.789 4.097 20 0 GIADRO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)CC(=O)Nc1ccccc1SC(F)F ZINC000125880845 823735616 /nfs/dbraw/zinc/73/56/16/823735616.db2.gz CXAWALVTHQJXPR-ZDUSSCGKSA-N 1 0 380.460 4.208 20 0 GIADRO O=C(NCCc1ccc(OC(F)(F)F)cc1)c1cccc(C[NH+]2CCCC2)c1 ZINC000064026340 823735627 /nfs/dbraw/zinc/73/56/27/823735627.db2.gz JVSPAJQAIDNZEC-UHFFFAOYSA-N 1 0 392.421 4.154 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1)c1ccccc1 ZINC000163673620 823735639 /nfs/dbraw/zinc/73/56/39/823735639.db2.gz XYBSECIZRKVDAG-ZLNRFVROSA-N 1 0 395.547 4.289 20 0 GIADRO CC[C@H](C(=O)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1)[NH+](C)C ZINC000413237485 823735748 /nfs/dbraw/zinc/73/57/48/823735748.db2.gz KZBFYKBNYGFHNF-GOSISDBHSA-N 1 0 380.319 4.257 20 0 GIADRO COCCOc1ccc(NC(=O)c2cccc(C[NH+]3CCCC3)c2)cc1Cl ZINC000064027211 823736185 /nfs/dbraw/zinc/73/61/85/823736185.db2.gz CWZQGCILVGQBKW-UHFFFAOYSA-N 1 0 388.895 4.213 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cc(F)cc3cccnc32)CC1 ZINC000163680111 823736194 /nfs/dbraw/zinc/73/61/94/823736194.db2.gz CDYOYZBJFCMBER-MRXNPFEDSA-N 1 0 377.463 4.329 20 0 GIADRO FC(F)(F)CN1CC[C@H](C[NH2+]Cc2cc(Br)c(Cl)s2)C1 ZINC000191693422 823736726 /nfs/dbraw/zinc/73/67/26/823736726.db2.gz GKOQVTBPOGKSLR-MRVPVSSYSA-N 1 0 391.684 4.138 20 0 GIADRO COc1ccc(CCC[N@H+](C)[C@H](C)C(=O)Nc2ccccc2OC(F)F)cc1 ZINC000125883783 823736891 /nfs/dbraw/zinc/73/68/91/823736891.db2.gz GRNBYHLTHCCSBC-OAHLLOKOSA-N 1 0 392.446 4.188 20 0 GIADRO COC1CCN(CC[NH2+][C@H]2CCCc3nc(-c4ccccc4F)sc32)CC1 ZINC000163684842 823736972 /nfs/dbraw/zinc/73/69/72/823736972.db2.gz HWHPGQIGNVXCAL-SFHVURJKSA-N 1 0 389.540 4.027 20 0 GIADRO Clc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(CN3CCOCC3)c1)CCCO2 ZINC000163688281 823737400 /nfs/dbraw/zinc/73/74/00/823737400.db2.gz IOUNKPHQIUAYON-OAQYLSRUSA-N 1 0 386.923 4.176 20 0 GIADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2ncoc2-c2ccccc2Cl)C1 ZINC000163695304 823738054 /nfs/dbraw/zinc/73/80/54/823738054.db2.gz LVDNZOLUTVSCNJ-HNNXBMFYSA-N 1 0 375.900 4.093 20 0 GIADRO Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000413248839 823738279 /nfs/dbraw/zinc/73/82/79/823738279.db2.gz XSVRUJIVPXYHIZ-KANFNMMFSA-N 1 0 385.552 4.067 20 0 GIADRO CCCOc1ccc(NC(=O)CC[NH+]2CCN(c3cccc(C)c3)CC2)c(C)c1 ZINC000461887057 823739283 /nfs/dbraw/zinc/73/92/83/823739283.db2.gz YILLHJCKEYLLEU-UHFFFAOYSA-N 1 0 395.547 4.243 20 0 GIADRO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)NC1CC(C(F)(F)F)C1 ZINC000574474470 823739670 /nfs/dbraw/zinc/73/96/70/823739670.db2.gz RMHGGOVIAPKCIO-SEEARECTSA-N 1 0 389.849 4.117 20 0 GIADRO Cc1cc(C(=O)N(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)oc1C ZINC000163711728 823740178 /nfs/dbraw/zinc/74/01/78/823740178.db2.gz IVLBUNRDEJFNLP-GOSISDBHSA-N 1 0 394.437 4.423 20 0 GIADRO C[NH+](C)Cc1cccc(C(=O)N[C@@H](COc2ccccc2F)c2ccccc2)c1 ZINC000461889869 823740264 /nfs/dbraw/zinc/74/02/64/823740264.db2.gz YXZXEQKHIQCPAO-QFIPXVFZSA-N 1 0 392.474 4.437 20 0 GIADRO Cc1cccc([C@@H]2CCCN2C(=O)CC[NH+]2CCN(c3cccc(C)c3)CC2)c1 ZINC000461891967 823740858 /nfs/dbraw/zinc/74/08/58/823740858.db2.gz YMNWKDUDOOAEGH-DEOSSOPVSA-N 1 0 391.559 4.179 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)[C@H](C)c1nc2ccccc2s1 ZINC000163722284 823741429 /nfs/dbraw/zinc/74/14/29/823741429.db2.gz RRKHFQCNSMTPEM-ROUUACIJSA-N 1 0 395.572 4.410 20 0 GIADRO CSc1ccc([C@@H](CNC(=O)[C@H](C)c2c(F)cccc2F)[NH+](C)C)cc1 ZINC000574480154 823741722 /nfs/dbraw/zinc/74/17/22/823741722.db2.gz KTSZAKAAOGLNBB-FZKQIMNGSA-N 1 0 378.488 4.209 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)c1ccccc1C(F)(F)F ZINC000163724354 823742090 /nfs/dbraw/zinc/74/20/90/823742090.db2.gz KIOBIROZMGBABG-INIZCTEOSA-N 1 0 378.438 4.388 20 0 GIADRO CC[C@@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)c1ccccc1OC(F)F ZINC000163736521 823743323 /nfs/dbraw/zinc/74/33/23/823743323.db2.gz VLMRNGIGVNZNON-HXUWFJFHSA-N 1 0 390.474 4.361 20 0 GIADRO Cc1cc(C)c2c(c1)[C@H]([NH2+]Cc1cccc(CN3CCOCC3)c1)CCCO2 ZINC000163743073 823744290 /nfs/dbraw/zinc/74/42/90/823744290.db2.gz ZMCPOSXNHPNPJE-HSZRJFAPSA-N 1 0 380.532 4.139 20 0 GIADRO C[C@@H](O)[C@](C)(C[NH2+]Cc1csc(COc2ccccc2)n1)Cc1ccccc1 ZINC000191717072 823745417 /nfs/dbraw/zinc/74/54/17/823745417.db2.gz OXESLKLHVZNLKT-JPYJTQIMSA-N 1 0 396.556 4.442 20 0 GIADRO COc1ccc([C@H]([NH2+][C@H]2CCN(CC(F)(F)F)C2)c2ccc(F)cc2)cc1 ZINC000163776991 823747663 /nfs/dbraw/zinc/74/76/63/823747663.db2.gz YPOVIKFGARHODI-PKOBYXMFSA-N 1 0 382.401 4.150 20 0 GIADRO CC[NH+](CC)CCOc1ccc(NC(=O)N2CCC[C@H]2c2cccc(C)n2)cc1 ZINC000125937472 823748765 /nfs/dbraw/zinc/74/87/65/823748765.db2.gz IGNSQWWYFBTHJG-QFIPXVFZSA-N 1 0 396.535 4.480 20 0 GIADRO O=C(Nc1cccc(Cl)c1Br)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000191729525 823749715 /nfs/dbraw/zinc/74/97/15/823749715.db2.gz GGDBMYNOXQPCMF-LBPRGKRZSA-N 1 0 386.721 4.195 20 0 GIADRO S=c1[nH]c(C=Cc2ccccc2)nn1CN1CC[NH+](CC2CCCCC2)CC1 ZINC000064127406 823751537 /nfs/dbraw/zinc/75/15/37/823751537.db2.gz IAFXAFLVHSDXIX-VAWYXSNFSA-N 1 0 397.592 4.266 20 0 GIADRO O=C(CCN1CC[NH+](CC2CCCCC2)CC1)Nc1cccc2ccccc21 ZINC000064129396 823752272 /nfs/dbraw/zinc/75/22/72/823752272.db2.gz CABWLVJGRBBHND-UHFFFAOYSA-N 1 0 379.548 4.366 20 0 GIADRO COCCOCc1ccc(C(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000461915133 823752436 /nfs/dbraw/zinc/75/24/36/823752436.db2.gz RVXJZNQPAFJXQJ-IBGZPJMESA-N 1 0 396.531 4.334 20 0 GIADRO CCc1cccc(CC)c1NC(=O)[C@@H](C)N1CC[NH+](CC2CCCCC2)CC1 ZINC000064130133 823752791 /nfs/dbraw/zinc/75/27/91/823752791.db2.gz RQEAYVSGCIOVKY-LJQANCHMSA-N 1 0 385.596 4.336 20 0 GIADRO C[C@@H](c1ccc(OC(F)F)cc1)[N@@H+]1CCCN(C(=O)c2ccsc2)CC1 ZINC000064142959 823754762 /nfs/dbraw/zinc/75/47/62/823754762.db2.gz PCZBZCZFPGGVDU-AWEZNQCLSA-N 1 0 380.460 4.259 20 0 GIADRO CC[C@@H]([NH2+][C@H]1CCN(C(=O)C2CCCC2)C1)c1ccc(Br)cc1 ZINC000125964033 823755130 /nfs/dbraw/zinc/75/51/30/823755130.db2.gz JFKMKSCIVNJRCF-ZWKOTPCHSA-N 1 0 379.342 4.281 20 0 GIADRO O=C(Nc1cc(F)ccc1OCC1CC1)NC1CC[NH+](C2CCCC2)CC1 ZINC000191747267 823755663 /nfs/dbraw/zinc/75/56/63/823755663.db2.gz SLQSEZSAFCSTEP-UHFFFAOYSA-N 1 0 375.488 4.143 20 0 GIADRO C[C@@H](CC(=O)NC1CC[NH+](C(C)(C)C)CC1)c1ccc(F)c(Br)c1 ZINC000461924504 823758022 /nfs/dbraw/zinc/75/80/22/823758022.db2.gz WHVQZJKZLMPJEW-ZDUSSCGKSA-N 1 0 399.348 4.461 20 0 GIADRO CC(C)(C)[NH+]1CCC(NC(=O)c2cc(-c3ccccc3C(F)(F)F)on2)CC1 ZINC000461925078 823758560 /nfs/dbraw/zinc/75/85/60/823758560.db2.gz ZPDJTZILGKQNHP-UHFFFAOYSA-N 1 0 395.425 4.353 20 0 GIADRO O=c1[nH]c(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)nc2c1cnn2-c1ccccc1 ZINC000574540240 823759198 /nfs/dbraw/zinc/75/91/98/823759198.db2.gz AQMKKPVFMFZQGF-NQIIRXRSSA-N 1 0 399.498 4.022 20 0 GIADRO Cc1nc(C(F)(F)F)sc1C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000461931169 823762459 /nfs/dbraw/zinc/76/24/59/823762459.db2.gz LTTNMVXSQZHYBN-JSGCOSHPSA-N 1 0 383.439 4.036 20 0 GIADRO COc1cc2cc[nH+]c(N3CCC(C(=O)c4ccc(F)cc4)CC3)c2cc1OC ZINC000163935264 823762838 /nfs/dbraw/zinc/76/28/38/823762838.db2.gz XXTHJQFZSGFSBO-UHFFFAOYSA-N 1 0 394.446 4.490 20 0 GIADRO 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 823764207 /nfs/dbraw/zinc/76/42/07/823764207.db2.gz KRPAAXXJJGQIRP-CBZIJGRNSA-N 1 0 385.474 4.031 20 0 GIADRO C[C@@H](C(=O)Nc1ccccc1NC(=O)Cc1cccs1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000413384986 823765069 /nfs/dbraw/zinc/76/50/69/823765069.db2.gz GDBSDVYQBHHVPY-XHSDSOJGSA-N 1 0 385.533 4.129 20 0 GIADRO COC(=O)c1cc(C[N@H+](C)[C@@H](C)c2sc(-c3ccccc3)nc2C)cn1C ZINC000574557103 823765694 /nfs/dbraw/zinc/76/56/94/823765694.db2.gz NBVZVZJZCVZIBT-HNNXBMFYSA-N 1 0 383.517 4.437 20 0 GIADRO Cc1ccc(NC(=O)c2cccc(C[NH+]3CCCCC3)c2)cc1C(=O)NC(C)C ZINC000413395882 823767786 /nfs/dbraw/zinc/76/77/86/823767786.db2.gz CYGYDPAVEDLKRI-UHFFFAOYSA-N 1 0 393.531 4.371 20 0 GIADRO CC[C@H](C)[C@H](O)C[NH2+][C@@H](C)c1sc(Cc2ccc(OC)c(OC)c2)nc1C ZINC000163978570 823767879 /nfs/dbraw/zinc/76/78/79/823767879.db2.gz VOSGLGZOINTWEG-GRDNDAEWSA-N 1 0 392.565 4.117 20 0 GIADRO C[NH+](C)CC[C@@H](NC(=O)N[C@@H]1CCCc2cn(C3CCCC3)nc21)C(C)(C)C ZINC000461948884 823768683 /nfs/dbraw/zinc/76/86/83/823768683.db2.gz SYCRAPBDSAOYRY-RTBURBONSA-N 1 0 389.588 4.041 20 0 GIADRO CCCN(CC[NH+](CC)CC)C(=O)N[C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000461962808 823773529 /nfs/dbraw/zinc/77/35/29/823773529.db2.gz XQUAUSQLYRQAAQ-GOSISDBHSA-N 1 0 385.556 4.005 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(NC(=O)C2CCCC2)c1)c1ccc([S@@](C)=O)cc1 ZINC000126046503 823774362 /nfs/dbraw/zinc/77/43/62/823774362.db2.gz JMHDQPGDYBCIMR-JWIGPWBQSA-N 1 0 384.545 4.404 20 0 GIADRO COC(=O)[C@@H](C)Oc1ccc(C[NH2+][C@@H](C)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000191805043 823774387 /nfs/dbraw/zinc/77/43/87/823774387.db2.gz QNWXKQNTMFFFER-UONOGXRCSA-N 1 0 397.393 4.376 20 0 GIADRO CCN(Cc1occc1C)C(=O)N[C@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000413429061 823776135 /nfs/dbraw/zinc/77/61/35/823776135.db2.gz AUEZXCPGYRCVLI-UNMCSNQZSA-N 1 0 397.519 4.106 20 0 GIADRO Brc1cccc(-c2ccc(C[NH+]3CCC4(CC3)OCCO4)o2)c1 ZINC000126053975 823776391 /nfs/dbraw/zinc/77/63/91/823776391.db2.gz GEBXFKVVTGCBDY-UHFFFAOYSA-N 1 0 378.266 4.048 20 0 GIADRO Cn1cc([C@@H]([NH2+]CCc2ccc(OC(F)(F)F)cc2)c2ccccc2)cn1 ZINC000574602314 823776953 /nfs/dbraw/zinc/77/69/53/823776953.db2.gz YQXTZDWXAGFIKB-IBGZPJMESA-N 1 0 375.394 4.240 20 0 GIADRO Cc1ccc([C@H](CNC(=O)N[C@@H](C)c2nc3ccccc3[nH]2)[NH+]2CCCC2)cc1 ZINC000064236895 823777931 /nfs/dbraw/zinc/77/79/31/823777931.db2.gz YIZADBLKUBDZIX-UWJYYQICSA-N 1 0 391.519 4.069 20 0 GIADRO O=C(NCCCOC1CCCC1)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000064241469 823779364 /nfs/dbraw/zinc/77/93/64/823779364.db2.gz VWTQLIBUNAZZHL-FQEVSTJZSA-N 1 0 393.959 4.125 20 0 GIADRO CC[C@H](CNC(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000413446284 823779651 /nfs/dbraw/zinc/77/96/51/823779651.db2.gz YQCIRUAEGCWHFW-XYJFISCASA-N 1 0 385.474 4.175 20 0 GIADRO COCCC[NH+]1CCC(NC(=O)c2ccc(O[C@@H](C)c3ccccc3)cc2)CC1 ZINC000191814953 823779747 /nfs/dbraw/zinc/77/97/47/823779747.db2.gz ITVPRKFLJITZIC-IBGZPJMESA-N 1 0 396.531 4.057 20 0 GIADRO Cc1c(Cl)cccc1NNC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000064244603 823779807 /nfs/dbraw/zinc/77/98/07/823779807.db2.gz RHHZVIOISFVFDW-UHFFFAOYSA-N 1 0 392.956 4.248 20 0 GIADRO CC(C)(C)[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]Cc1ncnn1CC(F)F ZINC000574609225 823780363 /nfs/dbraw/zinc/78/03/63/823780363.db2.gz XLQOHCLRYVCZOR-CQSZACIVSA-N 1 0 390.400 4.309 20 0 GIADRO Cc1cc([C@@](C)(O)C[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)c(C)o1 ZINC000164135320 823780643 /nfs/dbraw/zinc/78/06/43/823780643.db2.gz SXXAKIPFBNXPDU-NRFANRHFSA-N 1 0 376.928 4.012 20 0 GIADRO O=C(NCCc1c[nH]c2cc(F)ccc12)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000461980853 823781252 /nfs/dbraw/zinc/78/12/52/823781252.db2.gz DITAGNGLNUGZSN-JOCHJYFZSA-N 1 0 379.479 4.020 20 0 GIADRO CC(C)[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2C(=O)N2CCCCC2)CC1 ZINC000461981633 823781543 /nfs/dbraw/zinc/78/15/43/823781543.db2.gz MWKXZCDKPDDVDT-UHFFFAOYSA-N 1 0 391.943 4.025 20 0 GIADRO Cc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(C(C)C)cc2)[NH+]2CCCC2)cc1 ZINC000064272448 823784231 /nfs/dbraw/zinc/78/42/31/823784231.db2.gz VVQKHLQUDVXYOH-QFIPXVFZSA-N 1 0 393.531 4.010 20 0 GIADRO CN(Cc1ccccc1)c1ccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000164184776 823784438 /nfs/dbraw/zinc/78/44/38/823784438.db2.gz XQEMGQYOSNGFCN-OFNKIYASSA-N 1 0 392.547 4.271 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]C[C@H](c2cccnc2)C(C)C)cc1Cn1cccn1 ZINC000164186325 823785034 /nfs/dbraw/zinc/78/50/34/823785034.db2.gz OFWZLMLHOPJCOD-GCJKJVERSA-N 1 0 378.520 4.425 20 0 GIADRO CCCN(CC[NH+](CC)CC)C(=O)Nc1ccc(-c2noc(C(F)F)n2)cc1 ZINC000461989596 823785406 /nfs/dbraw/zinc/78/54/06/823785406.db2.gz VPFAZHXVMOJHOP-UHFFFAOYSA-N 1 0 395.454 4.260 20 0 GIADRO CC[N@@H+]1CC[C@@H](NC(=O)N[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)C1 ZINC000413477877 823785540 /nfs/dbraw/zinc/78/55/40/823785540.db2.gz WSTPAGRCHVCKAH-KGLIPLIRSA-N 1 0 397.363 4.092 20 0 GIADRO Cc1c2ccccc2oc1[C@@H](C)NC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000461991053 823785878 /nfs/dbraw/zinc/78/58/78/823785878.db2.gz QZZIKGSGGLCGTC-LJQANCHMSA-N 1 0 391.515 4.131 20 0 GIADRO COc1ccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)c2cccnc12 ZINC000461990971 823786054 /nfs/dbraw/zinc/78/60/54/823786054.db2.gz XJAMTHJCTNKIHP-HXUWFJFHSA-N 1 0 375.472 4.237 20 0 GIADRO Cc1ncc([C@H](C)[NH2+]Cc2cccc(NC(=O)c3cccc(F)c3)c2)c(C)n1 ZINC000126096776 823786348 /nfs/dbraw/zinc/78/63/48/823786348.db2.gz RUNOKCXQXYVNDI-AWEZNQCLSA-N 1 0 378.451 4.336 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)Cc2ccc(OC(F)(F)F)cc2)C[C@H]1C ZINC000413497172 823787613 /nfs/dbraw/zinc/78/76/13/823787613.db2.gz LERRUSYYOPBIHS-UXLLHSPISA-N 1 0 386.458 4.095 20 0 GIADRO CS(=O)(=O)c1cccc(Oc2ncccc2C[NH2+][C@H]2CCc3ccccc32)c1 ZINC000164235830 823788867 /nfs/dbraw/zinc/78/88/67/823788867.db2.gz XPRKUJGZIJXBBC-NRFANRHFSA-N 1 0 394.496 4.055 20 0 GIADRO COCc1ccccc1NC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000064317307 823790023 /nfs/dbraw/zinc/79/00/23/823790023.db2.gz FMISMRFVXARAHJ-FQEVSTJZSA-N 1 0 392.421 4.226 20 0 GIADRO CC(C)CN(C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1)[C@@H]1CCCc2cccnc21 ZINC000164260039 823790894 /nfs/dbraw/zinc/79/08/94/823790894.db2.gz PSJFUNJIBIVJDT-PZJWPPBQSA-N 1 0 386.584 4.105 20 0 GIADRO CC(C)[C@@H]([NH2+][C@H]1CCc2cccc(Br)c2C1)c1nnc2ccccn21 ZINC000574655480 823792307 /nfs/dbraw/zinc/79/23/07/823792307.db2.gz XUYUAXJZANUCRV-HNAYVOBHSA-N 1 0 399.336 4.336 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)c2cnc([C@@H]3CCCO3)s2)CC[N@@H+]1Cc1ccccc1 ZINC000126118472 823792557 /nfs/dbraw/zinc/79/25/57/823792557.db2.gz YEOISWUJFBOYIO-QRQLOZEOSA-N 1 0 399.560 4.120 20 0 GIADRO C[NH+](C)CC1CCN(c2ccc(NC(=O)c3scnc3C3CC3)cc2)CC1 ZINC000126121142 823793303 /nfs/dbraw/zinc/79/33/03/823793303.db2.gz SPJLUTQRUALZNH-UHFFFAOYSA-N 1 0 384.549 4.051 20 0 GIADRO Cc1c[nH+]ccc1N1CCC(C(=O)N2CCCc3cc(F)cc(Cl)c32)CC1 ZINC000574664106 823794428 /nfs/dbraw/zinc/79/44/28/823794428.db2.gz ABGIIUGAAUYUOM-UHFFFAOYSA-N 1 0 387.886 4.378 20 0 GIADRO CSCc1ccc(NC(=O)CC[NH+]2CCN(c3cccc(C)c3)CC2)cc1 ZINC000462015624 823794956 /nfs/dbraw/zinc/79/49/56/823794956.db2.gz LPQJLWVJAVMBPC-UHFFFAOYSA-N 1 0 383.561 4.009 20 0 GIADRO CCc1cnccc1[C@@H](C)[NH2+]CC(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000574669495 823795673 /nfs/dbraw/zinc/79/56/73/823795673.db2.gz SHCNZDSWKLJFGV-CYBMUJFWSA-N 1 0 384.480 4.196 20 0 GIADRO CC(C)(C)Oc1ccccc1NC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000164337773 823796741 /nfs/dbraw/zinc/79/67/41/823796741.db2.gz XVZAXJCHSNYGGT-UHFFFAOYSA-N 1 0 396.531 4.321 20 0 GIADRO Cc1nc(-c2ccccc2)oc1C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000462021799 823797834 /nfs/dbraw/zinc/79/78/34/823797834.db2.gz BWZQAVDVWMOGQG-FQEVSTJZSA-N 1 0 375.472 4.217 20 0 GIADRO Cc1csc(N2CCC([NH2+][C@H]3CCCN(c4ccccc4Cl)C3)CC2)n1 ZINC000164368603 823798450 /nfs/dbraw/zinc/79/84/50/823798450.db2.gz BHGAFSUFLXUVQX-KRWDZBQOSA-N 1 0 390.984 4.332 20 0 GIADRO O=C(C[NH+]1CCCCCC1)Nc1cccc(NCc2csc(C3CC3)n2)c1 ZINC000126149146 823799782 /nfs/dbraw/zinc/79/97/82/823799782.db2.gz ZNCFAWDRWVOBGD-UHFFFAOYSA-N 1 0 384.549 4.447 20 0 GIADRO Cc1ccccc1[C@H](OC[C@@H](O)C[NH2+]C[C@@H](C)c1nccs1)c1ccccc1 ZINC000574685980 823801529 /nfs/dbraw/zinc/80/15/29/823801529.db2.gz IFFRHIAWIRXBRQ-KAGYGMCKSA-N 1 0 396.556 4.312 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=S)Nc1ccccc1 ZINC000064371354 823802393 /nfs/dbraw/zinc/80/23/93/823802393.db2.gz HFUHZVHJVSHQTB-UHFFFAOYSA-N 1 0 381.467 4.466 20 0 GIADRO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3ccccc3COc3ccccc3)CC[C@@H]21 ZINC000164432606 823802575 /nfs/dbraw/zinc/80/25/75/823802575.db2.gz LBMGBHICCAPHQY-AVRDEDQJSA-N 1 0 379.504 4.214 20 0 GIADRO COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)[NH2+][C@H]1CCC[C@H]1CCC(C)C ZINC000191883189 823802955 /nfs/dbraw/zinc/80/29/55/823802955.db2.gz KLOGTUBFQGSXCW-IEZWGBDMSA-N 1 0 389.540 4.175 20 0 GIADRO Cc1ccc(F)c(NC(=S)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000064377932 823804132 /nfs/dbraw/zinc/80/41/32/823804132.db2.gz HUVUBAFALIRMJR-OAHLLOKOSA-N 1 0 377.554 4.394 20 0 GIADRO CN(C)c1cccc(CNC(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)n1 ZINC000164467753 823804306 /nfs/dbraw/zinc/80/43/06/823804306.db2.gz CHYAGBADRBDHQZ-UHFFFAOYSA-N 1 0 395.551 4.234 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1c(C)nc(C2CC2)nc1SC)c1ccccc1 ZINC000462034379 823804698 /nfs/dbraw/zinc/80/46/98/823804698.db2.gz CUJJBORLFXKNCA-GOSISDBHSA-N 1 0 398.576 4.197 20 0 GIADRO Cc1nc(-c2ccc(CC[NH2+][C@@H](C)c3ccc(-n4cnnn4)cc3)s2)cs1 ZINC000164482294 823804893 /nfs/dbraw/zinc/80/48/93/823804893.db2.gz XFGUQPIZRYORFC-ZDUSSCGKSA-N 1 0 396.545 4.049 20 0 GIADRO Cc1ccc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)NCc3ccco3)cc2)c(C)c1 ZINC000164510653 823806180 /nfs/dbraw/zinc/80/61/80/823806180.db2.gz RPFBTEBXDPESBT-GOSISDBHSA-N 1 0 398.528 4.226 20 0 GIADRO CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000164516922 823806582 /nfs/dbraw/zinc/80/65/82/823806582.db2.gz ZZWOWJWWXRCGNC-IRXDYDNUSA-N 1 0 389.540 4.126 20 0 GIADRO COCCOCc1ccc(C(=O)Nc2cccc3c2C[N@H+](CCC(C)C)C3)cc1 ZINC000462039125 823807090 /nfs/dbraw/zinc/80/70/90/823807090.db2.gz YCLALVIEZGFMKI-UHFFFAOYSA-N 1 0 396.531 4.464 20 0 GIADRO COC(=O)c1cccc(C[NH2+][C@@H]2CCC[C@H]2c2ccccc2C(F)(F)F)n1 ZINC000574715434 823807119 /nfs/dbraw/zinc/80/71/19/823807119.db2.gz OCQYEEAVBLTVEG-DOTOQJQBSA-N 1 0 378.394 4.313 20 0 GIADRO Cc1cc(NC(=O)C(C)(C)CC(F)F)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000413639260 823807828 /nfs/dbraw/zinc/80/78/28/823807828.db2.gz JLSNZIFYZCLMPI-QGZVFWFLSA-N 1 0 390.478 4.258 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000164546391 823808198 /nfs/dbraw/zinc/80/81/98/823808198.db2.gz ABMCSMDETXJAQW-CJNGLKHVSA-N 1 0 388.537 4.174 20 0 GIADRO CCN1CCC([NH2+][C@H](Cc2ccccc2C)c2ccc(OC)c(OC)c2)CC1 ZINC000462041571 823808699 /nfs/dbraw/zinc/80/86/99/823808699.db2.gz VMJIYKXDQIEYGJ-JOCHJYFZSA-N 1 0 382.548 4.370 20 0 GIADRO COC(=O)C[C@](C)([NH2+]Cc1cccc(Oc2ccccc2)c1)c1ccncc1 ZINC000191905025 823808806 /nfs/dbraw/zinc/80/88/06/823808806.db2.gz CCGSXQMXKZPVIS-QHCPKHFHSA-N 1 0 376.456 4.442 20 0 GIADRO CCC(CC)(CNC(=O)NCc1ccn(C(C)C)n1)[NH2+][C@@H](C)c1ccccc1 ZINC000574725292 823810752 /nfs/dbraw/zinc/81/07/52/823810752.db2.gz CDLREPUAPYPZBP-SFHVURJKSA-N 1 0 385.556 4.173 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(C)(C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000191919047 823811781 /nfs/dbraw/zinc/81/17/81/823811781.db2.gz NXHHQSCKUDAYCU-OAHLLOKOSA-N 1 0 386.458 4.053 20 0 GIADRO Brc1ccn2cc(CNC[C@H](c3ccccc3)[NH+]3CCCC3)nc2c1 ZINC000574729956 823812433 /nfs/dbraw/zinc/81/24/33/823812433.db2.gz WSNXKUVEHVZRGK-LJQANCHMSA-N 1 0 399.336 4.024 20 0 GIADRO CCCOc1cc(OC)ccc1C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000191924543 823812851 /nfs/dbraw/zinc/81/28/51/823812851.db2.gz IHYFDFFVPSRBQM-FQEVSTJZSA-N 1 0 396.531 4.078 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCc1ccccc1F ZINC000064412271 823813123 /nfs/dbraw/zinc/81/31/23/823813123.db2.gz SMHYEBCIHHBBEI-UHFFFAOYSA-N 1 0 397.416 4.118 20 0 GIADRO C[NH+](C)CC1CCN(C(=O)N[C@H](c2c(Cl)cccc2Cl)C2CC2)CC1 ZINC000462054651 823814058 /nfs/dbraw/zinc/81/40/58/823814058.db2.gz WDFOYIMZLPBRTG-SFHVURJKSA-N 1 0 384.351 4.428 20 0 GIADRO Cc1ccc([C@H](C[NH2+][C@H]2C[C@H](C)Sc3sccc32)N2CCOCC2)o1 ZINC000164636731 823814126 /nfs/dbraw/zinc/81/41/26/823814126.db2.gz JSSJYJWOSHCEAX-XIRDDKMYSA-N 1 0 378.563 4.238 20 0 GIADRO C[C@@H](CC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(F)c(Br)c1 ZINC000462055718 823814766 /nfs/dbraw/zinc/81/47/66/823814766.db2.gz QORGDNNIGNQUBZ-ZFWWWQNUSA-N 1 0 397.332 4.215 20 0 GIADRO C[C@H](NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)c1cccc(OCc2ccccc2)c1 ZINC000574742156 823815592 /nfs/dbraw/zinc/81/55/92/823815592.db2.gz AJWRVKUQHGUEDV-YADARESESA-N 1 0 393.531 4.112 20 0 GIADRO COc1ccc([C@@H](C)N(C)C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000126236065 823817875 /nfs/dbraw/zinc/81/78/75/823817875.db2.gz CEYOGDQSTIVEPP-YLJYHZDGSA-N 1 0 385.508 4.218 20 0 GIADRO CC(C)(C)c1ccncc1CNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000413693653 823819221 /nfs/dbraw/zinc/81/92/21/823819221.db2.gz LXBXXWSIXBLPOC-IBGZPJMESA-N 1 0 386.584 4.177 20 0 GIADRO C[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1nc(C(C)(C)C)cs1 ZINC000126242258 823819312 /nfs/dbraw/zinc/81/93/12/823819312.db2.gz JJPANGNFJHSCAG-ZMSDIMECSA-N 1 0 390.597 4.160 20 0 GIADRO [NH3+]CCCN(CC1CCCC1)C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000574756236 823819821 /nfs/dbraw/zinc/81/98/21/823819821.db2.gz RALUZYJQTLXSRG-UHFFFAOYSA-N 1 0 389.927 4.295 20 0 GIADRO O=C(NC[C@@H]1CCC[N@H+](Cc2ccnn2C2CCCC2)C1)Nc1cccc(F)c1 ZINC000574756699 823819882 /nfs/dbraw/zinc/81/98/82/823819882.db2.gz MKDSOWROVAXCGR-KRWDZBQOSA-N 1 0 399.514 4.171 20 0 GIADRO CC[C@@H]1CN(c2ccccc2)CCN1Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000462074050 823820100 /nfs/dbraw/zinc/82/01/00/823820100.db2.gz ZLUUVYQKCQNRFA-GOSISDBHSA-N 1 0 384.593 4.010 20 0 GIADRO C[N@H+]1CC=C(CN[C@H](c2ccc(Br)o2)c2ccc(F)cc2)CC1 ZINC000574762534 823820302 /nfs/dbraw/zinc/82/03/02/823820302.db2.gz WEMRDSOXSISZOY-SFHVURJKSA-N 1 0 379.273 4.122 20 0 GIADRO CS(=O)(=O)CC[NH2+][C@@H](Cc1cccc(F)c1)c1ccc(Cl)c(Cl)c1 ZINC000164810936 823820746 /nfs/dbraw/zinc/82/07/46/823820746.db2.gz NCJFXWKIIISRAM-KRWDZBQOSA-N 1 0 390.307 4.051 20 0 GIADRO Cc1nn(CN2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c(=S)n1C1CC1 ZINC000164816442 823820979 /nfs/dbraw/zinc/82/09/79/823820979.db2.gz ZTSWORCRZJRISM-CTNGQTDRSA-N 1 0 397.592 4.001 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC[C@@H]3CCO[C@H]3c3ccccc3)ccc21 ZINC000574769694 823821733 /nfs/dbraw/zinc/82/17/33/823821733.db2.gz MSPPMMMZBXEGSH-BWAGFHJFSA-N 1 0 379.504 4.135 20 0 GIADRO COc1cccc2c1CC[C@@H]2NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000164870460 823823546 /nfs/dbraw/zinc/82/35/46/823823546.db2.gz CUKCRNGFBUIKNO-NRFANRHFSA-N 1 0 378.516 4.101 20 0 GIADRO COc1cccc2c1CC[C@H]2NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000164870340 823823612 /nfs/dbraw/zinc/82/36/12/823823612.db2.gz CUKCRNGFBUIKNO-OAQYLSRUSA-N 1 0 378.516 4.101 20 0 GIADRO CN(C(=O)N[C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000413715824 823823981 /nfs/dbraw/zinc/82/39/81/823823981.db2.gz OFPRRGCLTZBOHR-MZSJESITSA-N 1 0 375.944 4.243 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(F)c(F)c1 ZINC000064470641 823825084 /nfs/dbraw/zinc/82/50/84/823825084.db2.gz PDTLIQJBTXTARJ-UHFFFAOYSA-N 1 0 386.364 4.188 20 0 GIADRO CCn1c(C)cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C(F)(F)F)cc2)c1C ZINC000064470592 823825296 /nfs/dbraw/zinc/82/52/96/823825296.db2.gz RSBOTLMHFXPNTN-UHFFFAOYSA-N 1 0 395.469 4.348 20 0 GIADRO CCc1nc(C)c([C@@H](C)[NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)s1 ZINC000164981142 823827953 /nfs/dbraw/zinc/82/79/53/823827953.db2.gz DWFHHZVBAWKJEW-CQSZACIVSA-N 1 0 383.517 4.388 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)c1 ZINC000164983633 823828614 /nfs/dbraw/zinc/82/86/14/823828614.db2.gz IJWGHNJBWGADCF-INIZCTEOSA-N 1 0 391.471 4.019 20 0 GIADRO CC[NH+]1CCC(N(c2ccccc2)S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000191977615 823829764 /nfs/dbraw/zinc/82/97/64/823829764.db2.gz AGAXOILLNCTXRJ-UHFFFAOYSA-N 1 0 384.954 4.081 20 0 GIADRO C[C@@H](CNC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1)CC(F)(F)F ZINC000413743034 823830167 /nfs/dbraw/zinc/83/01/67/823830167.db2.gz FUGYNUPYAZGEHA-MRXNPFEDSA-N 1 0 385.474 4.129 20 0 GIADRO CCOc1ccccc1[C@H](C)[NH2+]Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000165030336 823831060 /nfs/dbraw/zinc/83/10/60/823831060.db2.gz KSGVASNNBAQDLK-KRWDZBQOSA-N 1 0 378.472 4.459 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(Oc3ccc(C(C)=O)cc3)cc2)[C@H](C)C1 ZINC000126288588 823831292 /nfs/dbraw/zinc/83/12/92/823831292.db2.gz XQSMGOVOVNJPGG-HXOBKFHXSA-N 1 0 394.515 4.484 20 0 GIADRO CCCC[C@H]([NH2+][C@H](C)c1cccc(S(=O)(=O)NC)c1)c1ccc(OC)cc1 ZINC000165047029 823831605 /nfs/dbraw/zinc/83/16/05/823831605.db2.gz OJUNCDPKBBMCRV-IERDGZPVSA-N 1 0 390.549 4.185 20 0 GIADRO C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000165041051 823831762 /nfs/dbraw/zinc/83/17/62/823831762.db2.gz FQRJFECFRRPOEP-NYHFZMIOSA-N 1 0 378.447 4.372 20 0 GIADRO COC[C@H](NCc1cn(-c2ccc(Br)cc2)nc1C)c1ccco1 ZINC000126295361 823832941 /nfs/dbraw/zinc/83/29/41/823832941.db2.gz YBOZABAQQOCURT-KRWDZBQOSA-N 1 0 390.281 4.014 20 0 GIADRO C[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)CC(F)(F)F ZINC000413750929 823833465 /nfs/dbraw/zinc/83/34/65/823833465.db2.gz SXFUQOSBAJHWKT-JZXOWHBKSA-N 1 0 385.474 4.269 20 0 GIADRO C[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)CC(F)(F)F ZINC000413750928 823833511 /nfs/dbraw/zinc/83/35/11/823833511.db2.gz SXFUQOSBAJHWKT-BQFCYCMXSA-N 1 0 385.474 4.269 20 0 GIADRO CCN(C(=O)NC[C@H](C)CC(F)(F)F)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000413752115 823833614 /nfs/dbraw/zinc/83/36/14/823833614.db2.gz VQPJRAZOHITTTB-NUJGCVRESA-N 1 0 385.474 4.442 20 0 GIADRO COc1cccc(-c2c[nH]cc2C(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000574817051 823833830 /nfs/dbraw/zinc/83/38/30/823833830.db2.gz PSIGFSGNLREHEQ-KSFYIVLOSA-N 1 0 377.488 4.112 20 0 GIADRO Cc1nc(-c2cc([C@H](C)[NH2+]CC3(C(=O)N(C)C)CCCC3)cs2)cs1 ZINC000165106213 823834109 /nfs/dbraw/zinc/83/41/09/823834109.db2.gz PVTXEVACZKLFGB-ZDUSSCGKSA-N 1 0 377.579 4.479 20 0 GIADRO CC(C)Cc1nc(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cs1 ZINC000064521156 823834891 /nfs/dbraw/zinc/83/48/91/823834891.db2.gz ZMOLZNSSJBWZGD-OAHLLOKOSA-N 1 0 377.579 4.045 20 0 GIADRO CC[C@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)c1ccccc1OC(F)F ZINC000165151394 823836064 /nfs/dbraw/zinc/83/60/64/823836064.db2.gz VSNIPDKQQMGZAK-SFHVURJKSA-N 1 0 376.447 4.273 20 0 GIADRO Cc1cc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c2ccccc2n1 ZINC000064522152 823836020 /nfs/dbraw/zinc/83/60/20/823836020.db2.gz IXMLQMLYQZLSLG-KRWDZBQOSA-N 1 0 379.529 4.247 20 0 GIADRO O=C(CSc1ccc(F)cc1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000064522321 823836176 /nfs/dbraw/zinc/83/61/76/823836176.db2.gz ZFYPUMDYFBFTNP-HNNXBMFYSA-N 1 0 378.538 4.008 20 0 GIADRO COc1cc([C@@H](C)[NH2+]CC2(C(=O)N(C)C)CCCC2)ccc1SC(F)F ZINC000165146289 823836125 /nfs/dbraw/zinc/83/61/25/823836125.db2.gz SREGIGBMYSOYFE-CYBMUJFWSA-N 1 0 386.508 4.309 20 0 GIADRO CC[N@H+](CCC1CCN(C(=O)NC[C@@H](C)CC(F)(F)F)CC1)CC1CC1 ZINC000413765267 823836909 /nfs/dbraw/zinc/83/69/09/823836909.db2.gz OESWPWKBTUCGMC-HNNXBMFYSA-N 1 0 377.495 4.119 20 0 GIADRO O=C(CCOc1ccc(F)cc1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000574833010 823837362 /nfs/dbraw/zinc/83/73/62/823837362.db2.gz RJGVCIKYJHBBGK-UHFFFAOYSA-N 1 0 396.506 4.109 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)c2c(CC)nc3ccc(Cl)cn32)CC1 ZINC000462125651 823837529 /nfs/dbraw/zinc/83/75/29/823837529.db2.gz AGAMGWBVGUYTDQ-UHFFFAOYSA-N 1 0 390.959 4.134 20 0 GIADRO CC[C@@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)c1ccc(OC(F)F)cc1 ZINC000165165456 823837640 /nfs/dbraw/zinc/83/76/40/823837640.db2.gz IDUGCFNDVVOBLD-LJQANCHMSA-N 1 0 376.447 4.273 20 0 GIADRO O=C(C[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1)Nc1nc2ccccc2s1 ZINC000192031349 823837693 /nfs/dbraw/zinc/83/76/93/823837693.db2.gz VKQWKTXWOFPQIC-YJBOKZPZSA-N 1 0 387.892 4.008 20 0 GIADRO CCc1ccc([C@@H](COC)[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)o1 ZINC000165204267 823840058 /nfs/dbraw/zinc/84/00/58/823840058.db2.gz WWBMTYUJJJIHKE-LJQANCHMSA-N 1 0 390.911 4.077 20 0 GIADRO Cc1ccc(NC(=O)C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)c(Cl)c1 ZINC000192038436 823840528 /nfs/dbraw/zinc/84/05/28/823840528.db2.gz GYNJKDCDIZWZKG-MJGOQNOKSA-N 1 0 379.287 4.360 20 0 GIADRO Cc1cccc2[nH]cc(CC[NH2+]C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c21 ZINC000165274464 823842063 /nfs/dbraw/zinc/84/20/63/823842063.db2.gz JIYSPJNHEHWGTM-UHFFFAOYSA-N 1 0 378.476 4.186 20 0 GIADRO CC(C)(C)C(=O)N1CCC(C[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)cc2)CC1 ZINC000192044466 823842444 /nfs/dbraw/zinc/84/24/44/823842444.db2.gz LUWBPGCKFRUFGI-OALUTQOASA-N 1 0 378.944 4.044 20 0 GIADRO CCOc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000192046145 823843618 /nfs/dbraw/zinc/84/36/18/823843618.db2.gz YRKRMNXFNMJFIQ-BOUXLOLZSA-N 1 0 388.895 4.186 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)C[C@@H](C)c2ccc(F)c(Br)c2)CC1 ZINC000462147740 823844759 /nfs/dbraw/zinc/84/47/59/823844759.db2.gz IYTAYHGILKQKNH-CQSZACIVSA-N 1 0 399.348 4.320 20 0 GIADRO COC(=O)[C@H](C)C[N@H+](Cc1coc(-c2ccc(C(F)(F)F)cc2)n1)C1CC1 ZINC000165361358 823845488 /nfs/dbraw/zinc/84/54/88/823845488.db2.gz BQAHHUXNLKLQRH-GFCCVEGCSA-N 1 0 382.382 4.134 20 0 GIADRO COC(=O)c1c(F)ccc(NC(=O)c2cccc(C[NH+]3CCCCC3)c2)c1C ZINC000413825608 823845755 /nfs/dbraw/zinc/84/57/55/823845755.db2.gz PMPROHJGAWKECX-UHFFFAOYSA-N 1 0 384.451 4.159 20 0 GIADRO C[C@@H](NC1CC[NH+](CCc2ccccc2)CC1)c1noc(Cc2ccccc2)n1 ZINC000165374118 823846022 /nfs/dbraw/zinc/84/60/22/823846022.db2.gz YSYRVLRYWSLXGC-LJQANCHMSA-N 1 0 390.531 4.018 20 0 GIADRO CC(=O)N(c1nc(CN2CC[C@H]([NH+]3CCCC3)C2)cs1)c1ccc(C)cc1C ZINC000165370551 823846029 /nfs/dbraw/zinc/84/60/29/823846029.db2.gz VWTGSEJPZUGOQA-FQEVSTJZSA-N 1 0 398.576 4.115 20 0 GIADRO CS(=O)(=O)c1cc(C[NH2+][C@H]2CCCc3ccccc32)cc(C(F)(F)F)c1 ZINC000574863050 823846076 /nfs/dbraw/zinc/84/60/76/823846076.db2.gz CNSQJKSADNCNJU-SFHVURJKSA-N 1 0 383.435 4.276 20 0 GIADRO CCCN(CC[NH+](CC)CC)C(=O)N[C@@H]1CCCc2cn(C3CCCC3)nc21 ZINC000462154335 823846670 /nfs/dbraw/zinc/84/66/70/823846670.db2.gz ZYQUDWIHTIZCAH-HXUWFJFHSA-N 1 0 389.588 4.139 20 0 GIADRO CCCN(C(=O)c1cnn([C@H]2CCC[NH2+]C2)c1)[C@H](C)c1cc2ccccc2o1 ZINC000574868729 823848153 /nfs/dbraw/zinc/84/81/53/823848153.db2.gz NYMLSPMVARBPCN-APWZRJJASA-N 1 0 380.492 4.167 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1csc(-c2cccs2)n1 ZINC000126360762 823848609 /nfs/dbraw/zinc/84/86/09/823848609.db2.gz HQQGOVVKSABSHV-UHFFFAOYSA-N 1 0 398.557 4.255 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cccc(-c2cscn2)c1 ZINC000462159760 823848648 /nfs/dbraw/zinc/84/86/48/823848648.db2.gz SHOAXJVAVHNOKR-JXFKEZNVSA-N 1 0 377.513 4.060 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+][C@H](C)c1ccc(NC(N)=O)cc1 ZINC000165449595 823849196 /nfs/dbraw/zinc/84/91/96/823849196.db2.gz KNJUQOMWAHGOSN-CHWSQXEVSA-N 1 0 381.505 4.416 20 0 GIADRO C[C@H](NC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000462161921 823849761 /nfs/dbraw/zinc/84/97/61/823849761.db2.gz FECWJOUWPRHZMS-HOCLYGCPSA-N 1 0 383.458 4.140 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(Oc2cccnc2)cc1 ZINC000462168397 823851405 /nfs/dbraw/zinc/85/14/05/823851405.db2.gz XYVCSHPERQBLNK-JPYJTQIMSA-N 1 0 387.483 4.124 20 0 GIADRO CCc1ccccc1NC(=O)C[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000192076893 823852393 /nfs/dbraw/zinc/85/23/93/823852393.db2.gz UUVFLOWOIRRSKR-AZUAARDMSA-N 1 0 376.859 4.100 20 0 GIADRO CCNC(=O)Nc1c(C)cccc1NC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000413865332 823852347 /nfs/dbraw/zinc/85/23/47/823852347.db2.gz STLQDJXXFHWZIP-UHFFFAOYSA-N 1 0 394.519 4.375 20 0 GIADRO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]CC(=O)Nc1ccc(F)cc1 ZINC000064614651 823852961 /nfs/dbraw/zinc/85/29/61/823852961.db2.gz TXCLFQCDOYJIQK-UHFFFAOYSA-N 1 0 386.858 4.010 20 0 GIADRO CN(C(=O)Nc1ccccc1Cl)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000165540675 823853161 /nfs/dbraw/zinc/85/31/61/823853161.db2.gz FQGAKOVTTWARLJ-PMACEKPBSA-N 1 0 392.975 4.141 20 0 GIADRO CC(C)[C@H](Oc1ccc(Cl)cc1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000462174909 823854132 /nfs/dbraw/zinc/85/41/32/823854132.db2.gz ICMHMEWVFNVQPU-FQEVSTJZSA-N 1 0 378.944 4.267 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CCc2ccc(NC(C)=O)cc2)cc1Br ZINC000165586898 823854895 /nfs/dbraw/zinc/85/48/95/823854895.db2.gz DYJZPDXOWVMNIM-CYBMUJFWSA-N 1 0 391.309 4.309 20 0 GIADRO CC(=O)Nc1ccc(CC[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)cc1 ZINC000165614704 823855221 /nfs/dbraw/zinc/85/52/21/823855221.db2.gz RKAQUMSJEMCMLG-HNNXBMFYSA-N 1 0 380.467 4.172 20 0 GIADRO Cc1nccn1-c1ccc(C[NH2+][C@@H](C)[C@H](C)c2nc3ccccc3s2)cn1 ZINC000126395377 823855950 /nfs/dbraw/zinc/85/59/50/823855950.db2.gz JGVWIEYTSMHSMA-GJZGRUSLSA-N 1 0 377.517 4.467 20 0 GIADRO COc1ccc(Cl)c(C[NH+]2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)c1 ZINC000192087905 823856126 /nfs/dbraw/zinc/85/61/26/823856126.db2.gz SQPZVTYTJJOJFE-UHFFFAOYSA-N 1 0 394.302 4.248 20 0 GIADRO CC[C@H]([NH2+]CCCc1nnc(SC)n1CC(C)C)c1ccc2c(c1)CCO2 ZINC000165648157 823856782 /nfs/dbraw/zinc/85/67/82/823856782.db2.gz CPFBJYKPINYEPK-SFHVURJKSA-N 1 0 388.581 4.264 20 0 GIADRO C[C@@H](NC(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1)c1ccc(Oc2cccnc2)cc1 ZINC000574902424 823857321 /nfs/dbraw/zinc/85/73/21/823857321.db2.gz UQDVOHPQGJPRHU-ZWKOTPCHSA-N 1 0 394.519 4.061 20 0 GIADRO Cc1cccc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)c1Br ZINC000126399743 823857277 /nfs/dbraw/zinc/85/72/77/823857277.db2.gz ZKJFVPBOYNAVGE-UHFFFAOYSA-N 1 0 379.342 4.284 20 0 GIADRO CC[C@@H]([NH2+][C@@H](C)c1ccc(OC)cc1)c1ccccc1OCC(=O)N1CCCC1 ZINC000165661865 823857476 /nfs/dbraw/zinc/85/74/76/823857476.db2.gz HQPSUHZQLWHLMD-PGRDOPGGSA-N 1 0 396.531 4.498 20 0 GIADRO Cc1c(Cl)cccc1NC(=O)C[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000192092140 823857799 /nfs/dbraw/zinc/85/77/99/823857799.db2.gz NVSNACNDHRNZTQ-IEBWSBKVSA-N 1 0 397.277 4.499 20 0 GIADRO CC[C@@H]([NH2+][C@@H](C)c1ccc(OC)cc1F)c1ccccc1OCC(=O)N(C)C ZINC000165673932 823857762 /nfs/dbraw/zinc/85/77/62/823857762.db2.gz JECBAIVVSKGPCV-MGPUTAFESA-N 1 0 388.483 4.103 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccccc1CCC(F)(F)F ZINC000462184607 823859152 /nfs/dbraw/zinc/85/91/52/823859152.db2.gz BCZPCPLZFXCCDS-UZLBHIALSA-N 1 0 390.449 4.432 20 0 GIADRO Cc1ccc(F)cc1NC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000192103785 823861071 /nfs/dbraw/zinc/86/10/71/823861071.db2.gz YGRZTDTUPDTXTR-OEPMTFCVSA-N 1 0 394.849 4.373 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)Cc2ccc(Cl)c(Cl)c2)c(F)c1 ZINC000413898613 823862461 /nfs/dbraw/zinc/86/24/61/823862461.db2.gz BQOJRCLSZFLOTR-UHFFFAOYSA-N 1 0 385.266 4.254 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)c2cc(F)cc(C(F)(F)F)c2)c(F)c1 ZINC000413900909 823862849 /nfs/dbraw/zinc/86/28/49/823862849.db2.gz LNDXDGDPTIOVLK-UHFFFAOYSA-N 1 0 388.336 4.176 20 0 GIADRO Cc1ccc(-c2nc(C(=O)Nc3ccc(OCC[NH+](C)C)cc3F)cs2)o1 ZINC000413902707 823863149 /nfs/dbraw/zinc/86/31/49/823863149.db2.gz PJMQDWZHVIUFSF-UHFFFAOYSA-N 1 0 389.452 4.043 20 0 GIADRO CC(=O)N(c1nc(CN2[C@@H]3CC[C@H]2CC(O)C3)cs1)c1c(C)cc(C)cc1C ZINC000165815705 823863565 /nfs/dbraw/zinc/86/35/65/823863565.db2.gz OJMCMGUROLWDFL-YOFSQIOKSA-N 1 0 399.560 4.241 20 0 GIADRO Cc1cc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c(Br)s1 ZINC000462194528 823863610 /nfs/dbraw/zinc/86/36/10/823863610.db2.gz ILEWXTGMTXNYOK-LRDDRELGSA-N 1 0 393.350 4.069 20 0 GIADRO CN(Cc1cc(F)c(F)c(F)c1)C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000165814583 823863783 /nfs/dbraw/zinc/86/37/83/823863783.db2.gz ITKVVMFMUHNXFQ-UHFFFAOYSA-N 1 0 390.449 4.365 20 0 GIADRO CCOc1cc(Cl)ccc1C(=O)Nc1ccc(OCC[NH+](C)C)cc1F ZINC000413904874 823863682 /nfs/dbraw/zinc/86/36/82/823863682.db2.gz VGUXCVSSWPNOTO-UHFFFAOYSA-N 1 0 380.847 4.071 20 0 GIADRO Cc1cc(C(=O)Nc2ccc(OCC[NH+](C)C)cc2F)ccc1Br ZINC000413905154 823864179 /nfs/dbraw/zinc/86/41/79/823864179.db2.gz WAPNKTMKURBDQZ-UHFFFAOYSA-N 1 0 395.272 4.089 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)C(=O)Nc1ccccc1Cl ZINC000192111895 823864361 /nfs/dbraw/zinc/86/43/61/823864361.db2.gz ZJRDDQBFFKTWAE-HWOJHCLVSA-N 1 0 380.822 4.065 20 0 GIADRO CN1CC[C@@H](NC(=O)Nc2cccnc2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000165895373 823865438 /nfs/dbraw/zinc/86/54/38/823865438.db2.gz SBLCSFXYPLRKFE-HIFRSBDPSA-N 1 0 383.254 4.094 20 0 GIADRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1 ZINC000165925619 823866264 /nfs/dbraw/zinc/86/62/64/823866264.db2.gz IXKJMGKMIIHXNG-ROUUACIJSA-N 1 0 398.528 4.478 20 0 GIADRO Cc1c2cc(F)ccc2sc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000064696042 823866374 /nfs/dbraw/zinc/86/63/74/823866374.db2.gz OGDUAZHGCLVIIU-UHFFFAOYSA-N 1 0 383.492 4.353 20 0 GIADRO CCc1nc2c(s1)[C@@H](N[C@@H](CC[N@H+](C)CCOC)c1ccccc1)CCC2 ZINC000165994193 823867935 /nfs/dbraw/zinc/86/79/35/823867935.db2.gz YAJDSCJFKFSKFY-OALUTQOASA-N 1 0 387.593 4.382 20 0 GIADRO FC(F)(F)c1ccc(-c2nc(CN3CC[C@@H](C[NH+]4CCCC4)C3)co2)cc1 ZINC000166005567 823868603 /nfs/dbraw/zinc/86/86/03/823868603.db2.gz VKXGSHPTTASWRY-HNNXBMFYSA-N 1 0 379.426 4.278 20 0 GIADRO CCOc1c(Cl)cc(C[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)cc1OC ZINC000166138750 823870578 /nfs/dbraw/zinc/87/05/78/823870578.db2.gz CZYVHBONBKLFPT-SHZVTRLKSA-N 1 0 381.925 4.336 20 0 GIADRO C[NH+](C)Cc1ccc(NC(=O)c2ccccc2-c2nc(C(C)(C)C)no2)c(F)c1 ZINC000413935796 823870771 /nfs/dbraw/zinc/87/07/71/823870771.db2.gz DXRKHQYPCYZZQC-UHFFFAOYSA-N 1 0 396.466 4.487 20 0 GIADRO O=C(CC[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)Nc1cccc(Cl)c1 ZINC000192131275 823870896 /nfs/dbraw/zinc/87/08/96/823870896.db2.gz QZFJZJNDULCTQK-MJGOQNOKSA-N 1 0 380.822 4.067 20 0 GIADRO FC(F)(F)COc1ccc(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)cn1 ZINC000166152343 823870982 /nfs/dbraw/zinc/87/09/82/823870982.db2.gz AMSHQTOOLWQYOU-QAPCUYQASA-N 1 0 380.410 4.280 20 0 GIADRO C[C@H]([NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1)c1ccc([S@@](C)=O)cc1 ZINC000166176751 823871820 /nfs/dbraw/zinc/87/18/20/823871820.db2.gz XXPJQFQXTJCSNZ-QZXCRCNTSA-N 1 0 392.515 4.017 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000413941304 823872472 /nfs/dbraw/zinc/87/24/72/823872472.db2.gz UUEJVRFRZZYECO-WOJBJXKFSA-N 1 0 382.504 4.158 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)c1c(C)nc2ccccc2c1C ZINC000413940913 823872645 /nfs/dbraw/zinc/87/26/45/823872645.db2.gz TZSGZKCHBCKPCV-UHFFFAOYSA-N 1 0 393.487 4.053 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000413941302 823872749 /nfs/dbraw/zinc/87/27/49/823872749.db2.gz UUEJVRFRZZYECO-VQTJNVASSA-N 1 0 382.504 4.158 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(OC)c(OC)c1Cl ZINC000574961075 823872812 /nfs/dbraw/zinc/87/28/12/823872812.db2.gz GDQPRAXJUMHWKB-UHFFFAOYSA-N 1 0 376.928 4.441 20 0 GIADRO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@@H](C)c1cccc(Br)c1)CC2 ZINC000462209761 823873298 /nfs/dbraw/zinc/87/32/98/823873298.db2.gz KCFCPUQNZOIBBI-QGTPRVQTSA-N 1 0 379.342 4.026 20 0 GIADRO O=C1CCCN1Cc1ccc(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)cc1 ZINC000166248718 823873384 /nfs/dbraw/zinc/87/33/84/823873384.db2.gz UFWIQVQVTUVRRY-GMAHTHKFSA-N 1 0 378.516 4.067 20 0 GIADRO Fc1ccc(-n2ccc(C[NH2+][C@H]3CCO[C@H]3c3ccc(F)c(F)c3)n2)c(F)c1 ZINC000192135515 823873831 /nfs/dbraw/zinc/87/38/31/823873831.db2.gz MBRLOHOFCOQKFL-ICSRJNTNSA-N 1 0 391.368 4.049 20 0 GIADRO Cc1cccc(C)c1NC(=O)CCC[N@@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000574963302 823874323 /nfs/dbraw/zinc/87/43/23/823874323.db2.gz YROGDNMDKDAQAQ-XMMPIXPASA-N 1 0 378.516 4.492 20 0 GIADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)CSc2nc3ccccc3s2)C1 ZINC000064735432 823875087 /nfs/dbraw/zinc/87/50/87/823875087.db2.gz PDKWKPVBURMPDT-OWCLPIDISA-N 1 0 389.590 4.252 20 0 GIADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2ccccc2C(=O)c2ccccc2)C1 ZINC000064735360 823875143 /nfs/dbraw/zinc/87/51/43/823875143.db2.gz LJHNFRKZAKEMMH-ZVDOUQERSA-N 1 0 390.527 4.395 20 0 GIADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2occc2COc2ccccc2)C1 ZINC000064735323 823875282 /nfs/dbraw/zinc/87/52/82/823875282.db2.gz JHZLBHLUJQXUHP-NSHGMRRFSA-N 1 0 382.504 4.336 20 0 GIADRO Fc1ccc([C@@H]2OCC[C@@H]2[NH2+]Cc2ccn(-c3c(F)cccc3F)n2)cc1F ZINC000192138328 823875624 /nfs/dbraw/zinc/87/56/24/823875624.db2.gz OOCMFISEAXMAFT-ICSRJNTNSA-N 1 0 391.368 4.049 20 0 GIADRO O=C(c1ccc(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)cc1)N1CCCC1 ZINC000166347476 823875767 /nfs/dbraw/zinc/87/57/67/823875767.db2.gz IKDVGMOTRZJKPI-NZQKXSOJSA-N 1 0 378.516 4.180 20 0 GIADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2cccc(OCc3cccnc3)c2)C1 ZINC000064735880 823875845 /nfs/dbraw/zinc/87/58/45/823875845.db2.gz PJXRAUMRGWKNEL-XQBPLPMBSA-N 1 0 393.531 4.138 20 0 GIADRO Cc1cc(C)cc(NC(=O)[C@H](C)[NH+]2CCC(c3c[nH]c4ncccc34)CC2)c1 ZINC000574969529 823876633 /nfs/dbraw/zinc/87/66/33/823876633.db2.gz RLQNNMRSDQJPQG-KRWDZBQOSA-N 1 0 376.504 4.386 20 0 GIADRO COC(=O)c1cc2cc(C[NH2+][C@@H]3CCO[C@@H]3c3ccc(F)c(F)c3)ccc2o1 ZINC000192141198 823877342 /nfs/dbraw/zinc/87/73/42/823877342.db2.gz DGJYJECAWQISGX-YLJYHZDGSA-N 1 0 387.382 4.117 20 0 GIADRO [NH3+]C[C@H]1CCCN(C(=O)Nc2ccc(Oc3cccc(C(F)(F)F)n3)cc2)C1 ZINC000574972903 823877557 /nfs/dbraw/zinc/87/75/57/823877557.db2.gz SYAPHPFIIILCBW-CYBMUJFWSA-N 1 0 394.397 4.095 20 0 GIADRO COc1ccccc1COC1CC[NH+](Cc2ccc(-n3ccnc3)cc2C)CC1 ZINC000192142909 823877976 /nfs/dbraw/zinc/87/79/76/823877976.db2.gz BAUFYZYGKAHLLM-UHFFFAOYSA-N 1 0 391.515 4.371 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)CCSc1ccc(C)cc1 ZINC000413961903 823878891 /nfs/dbraw/zinc/87/88/91/823878891.db2.gz SEXKRCQHAYAWLY-UHFFFAOYSA-N 1 0 388.533 4.065 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)C(C)(C)c1ccc(Cl)cc1 ZINC000413962752 823878953 /nfs/dbraw/zinc/87/89/53/823878953.db2.gz SVNAKUPHVWWOJL-UHFFFAOYSA-N 1 0 390.911 4.205 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)N[C@@H]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)CC1 ZINC000574985864 823879774 /nfs/dbraw/zinc/87/97/74/823879774.db2.gz GVXRKGQASVIPIM-RTBURBONSA-N 1 0 397.567 4.010 20 0 GIADRO COc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@@H]2c4ccccc4C[C@@H]2O)CCC3)cc1 ZINC000166614453 823880105 /nfs/dbraw/zinc/88/01/05/823880105.db2.gz XSRYLSJYDUBGSB-HLAWJBBLSA-N 1 0 392.524 4.444 20 0 GIADRO O=C(Nc1ccc(SCC[NH+]2CCCCC2)cc1)N1CCOC2(CCC2)C1 ZINC000574987153 823880253 /nfs/dbraw/zinc/88/02/53/823880253.db2.gz JAJKKZYUFZNJLX-UHFFFAOYSA-N 1 0 389.565 4.051 20 0 GIADRO Cc1nccn1-c1ccc(C[NH2+][C@H](C)c2ccc(F)cc2OC(F)F)cn1 ZINC000126484119 823880599 /nfs/dbraw/zinc/88/05/99/823880599.db2.gz YGYUJCRADVDLKL-GFCCVEGCSA-N 1 0 376.382 4.167 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@H](C)CC(=O)Nc2cccnc2Cl)cc1 ZINC000166664505 823880725 /nfs/dbraw/zinc/88/07/25/823880725.db2.gz CMAVNFFMHIOZTL-HUUCEWRRSA-N 1 0 397.910 4.297 20 0 GIADRO COc1cccc2c1CCC[C@@H]2[NH2+][C@H](CO)c1ccccc1OC(F)(F)F ZINC000574989886 823881015 /nfs/dbraw/zinc/88/10/15/823881015.db2.gz LXFTVUCUGAXSOA-DLBZAZTESA-N 1 0 381.394 4.294 20 0 GIADRO COc1ccc(C)cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(N2CCCC2)c1 ZINC000126486434 823881473 /nfs/dbraw/zinc/88/14/73/823881473.db2.gz YHIRBMQXVBDMTR-ROUUACIJSA-N 1 0 381.520 4.282 20 0 GIADRO Clc1ccccc1[C@H](N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc2c(c1)OCCO2 ZINC000166728142 823881989 /nfs/dbraw/zinc/88/19/89/823881989.db2.gz KMLUSEVMRPTLGT-YZZKKUAISA-N 1 0 398.934 4.417 20 0 GIADRO C[C@H]([NH2+]CCOc1ccc(Cl)c(F)c1)c1cccc(N2CCOC2=O)c1 ZINC000192154437 823882781 /nfs/dbraw/zinc/88/27/81/823882781.db2.gz IEZYPIMUJSTKPZ-ZDUSSCGKSA-N 1 0 378.831 4.165 20 0 GIADRO CC[C@@H](CCO)C[NH2+][C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000166823629 823883004 /nfs/dbraw/zinc/88/30/04/823883004.db2.gz XLNDOALOLRZAHN-RYUDHWBXSA-N 1 0 380.838 4.074 20 0 GIADRO CN(C(=O)NCC(F)(F)c1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000462229685 823883713 /nfs/dbraw/zinc/88/37/13/823883713.db2.gz ZFGACNJVODJRNI-UHFFFAOYSA-N 1 0 387.474 4.084 20 0 GIADRO CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000166969174 823884599 /nfs/dbraw/zinc/88/45/99/823884599.db2.gz DCDIJSZNRVTNKI-NDXORKPFSA-N 1 0 376.504 4.056 20 0 GIADRO O[C@H](C[NH2+][C@@H]1CCCOc2ccc(F)cc21)CO[C@H]1CCCc2ccccc21 ZINC000575009846 823886564 /nfs/dbraw/zinc/88/65/64/823886564.db2.gz TWFPWPYWLZUPNZ-QIJUGHKUSA-N 1 0 385.479 4.084 20 0 GIADRO CCOCCOc1cc(C)ccc1C[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000167147354 823887033 /nfs/dbraw/zinc/88/70/33/823887033.db2.gz UEDITDIVALNDHT-GOSISDBHSA-N 1 0 398.503 4.218 20 0 GIADRO CC(C)CN(CC[NH+](C)C)C(=O)c1cc(-c2ccccc2C(F)(F)F)on1 ZINC000462235263 823887845 /nfs/dbraw/zinc/88/78/45/823887845.db2.gz SSNAHIFSBJLXNE-UHFFFAOYSA-N 1 0 383.414 4.020 20 0 GIADRO C[N@H+](CCNC(=O)CCCCc1nc2ccccc2s1)Cc1ccccc1 ZINC000064804705 823888602 /nfs/dbraw/zinc/88/86/02/823888602.db2.gz PETNFRYEAAINQY-UHFFFAOYSA-N 1 0 381.545 4.257 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(Br)c(Cl)c1)c1ccc(NC(N)=O)cc1 ZINC000192167628 823889200 /nfs/dbraw/zinc/88/92/00/823889200.db2.gz PTKFGOQMVVRLMS-JTQLQIEISA-N 1 0 382.689 4.444 20 0 GIADRO COCCCOc1cc(C)ccc1C[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000167239702 823889374 /nfs/dbraw/zinc/88/93/74/823889374.db2.gz HMGKXTZTKXBNFY-SFHVURJKSA-N 1 0 398.503 4.218 20 0 GIADRO FC(F)(F)c1ccccc1OCC[NH+]1CCC(c2noc(C3CC3)n2)CC1 ZINC000462239558 823890996 /nfs/dbraw/zinc/89/09/96/823890996.db2.gz SFWQVXMLAQCBNC-UHFFFAOYSA-N 1 0 381.398 4.224 20 0 GIADRO Cc1c([C@@H](C)[NH2+]CCc2nnc3n2CCCCC3)cnn1-c1cc(C)ccc1C ZINC000126528577 823891370 /nfs/dbraw/zinc/89/13/70/823891370.db2.gz TXGOYMAQCNBREC-GOSISDBHSA-N 1 0 392.551 4.009 20 0 GIADRO COCc1cc([C@@H](C)[NH2+][C@H]2CCN(c3c(F)cccc3F)C2)ccc1OC ZINC000167493819 823892540 /nfs/dbraw/zinc/89/25/40/823892540.db2.gz NFXYZCPEVAQMFN-PBHICJAKSA-N 1 0 376.447 4.049 20 0 GIADRO COCc1cc([C@H](C)[NH2+][C@@H]2CCN(c3c(F)cccc3F)C2)ccc1OC ZINC000167493486 823892704 /nfs/dbraw/zinc/89/27/04/823892704.db2.gz NFXYZCPEVAQMFN-WMLDXEAASA-N 1 0 376.447 4.049 20 0 GIADRO Cc1ccccc1OCCCC(=O)Nc1ccc(C[NH2+]CC2=CCCOC2)cc1 ZINC000126534619 823892944 /nfs/dbraw/zinc/89/29/44/823892944.db2.gz OQIJDXVMZZMQOT-UHFFFAOYSA-N 1 0 394.515 4.229 20 0 GIADRO C[C@@H](CC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1)Cc1cccc(F)c1 ZINC000126537290 823893391 /nfs/dbraw/zinc/89/33/91/823893391.db2.gz RCZZNPCMSMIOQU-GOSISDBHSA-N 1 0 383.511 4.164 20 0 GIADRO COc1cc(CN2CC[C@H]([NH2+][C@H](C)c3cnc4ccsc4c3)C2)cc(OC)c1 ZINC000167561484 823893577 /nfs/dbraw/zinc/89/35/77/823893577.db2.gz YNUVNMFZDSIXDF-QAPCUYQASA-N 1 0 397.544 4.239 20 0 GIADRO CCCOc1cc(C)ccc1C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(OC)c1 ZINC000167677155 823894104 /nfs/dbraw/zinc/89/41/04/823894104.db2.gz HEJMTEBKXMVZCV-INIZCTEOSA-N 1 0 391.533 4.047 20 0 GIADRO Cc1sc(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)nc1-c1c(F)cc(F)cc1F ZINC000575031999 823894371 /nfs/dbraw/zinc/89/43/71/823894371.db2.gz DXEXWKDXZZCNDQ-ONGXEEELSA-N 1 0 383.439 4.205 20 0 GIADRO CC1CC[NH+]([C@@H](CNC(=O)c2ccncc2C(F)(F)F)c2ccccc2)CC1 ZINC000192181991 823894757 /nfs/dbraw/zinc/89/47/57/823894757.db2.gz YDNHTXPFOQYBQO-IBGZPJMESA-N 1 0 391.437 4.303 20 0 GIADRO C[N@@H+]1CCCN(c2ccc(-c3noc(/C=C/c4ccccc4Cl)n3)cn2)CC1 ZINC000575035185 823895401 /nfs/dbraw/zinc/89/54/01/823895401.db2.gz SZINVJGNDFQAEH-CSKARUKUSA-N 1 0 395.894 4.097 20 0 GIADRO Cc1nc2c(s1)[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CCC(O)CC1)CCC2 ZINC000167821661 823896272 /nfs/dbraw/zinc/89/62/72/823896272.db2.gz SGAWHUDMZOZTJD-UGSOOPFHSA-N 1 0 389.540 4.280 20 0 GIADRO CCN(C(=O)c1cc(NC(C)=O)ccc1F)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000126552020 823896638 /nfs/dbraw/zinc/89/66/38/823896638.db2.gz RQVHMGRNCXOLOO-JXFKEZNVSA-N 1 0 397.494 4.082 20 0 GIADRO COc1ccc(C[C@@H]([NH2+][C@@H](C)c2cc3n(n2)CCC3)c2ccc(OC)cc2)cc1 ZINC000414054882 823896755 /nfs/dbraw/zinc/89/67/55/823896755.db2.gz BWZSDNYBQFQSNS-BXKMTCNYSA-N 1 0 391.515 4.481 20 0 GIADRO C[C@@H](NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)c1cccc(N2CCOC2=O)c1 ZINC000167860173 823897027 /nfs/dbraw/zinc/89/70/27/823897027.db2.gz GXLIYRIVFVECCL-MSOLQXFVSA-N 1 0 381.520 4.423 20 0 GIADRO C[C@@H](NC(C)(C)C[NH2+][C@@H](C)CC(=O)Nc1cccnc1Cl)c1ccccc1 ZINC000167848492 823897096 /nfs/dbraw/zinc/89/70/96/823897096.db2.gz OIFHDCVDWVFHIA-JKSUJKDBSA-N 1 0 388.943 4.171 20 0 GIADRO C[C@H](NC(C)(C)C[NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1ccccc1 ZINC000167876815 823897519 /nfs/dbraw/zinc/89/75/19/823897519.db2.gz NZLSOABAMQLKKX-JTAQYXEDSA-N 1 0 380.580 4.011 20 0 GIADRO CCSc1cc(Cl)ccc1C(=O)NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000126556044 823898262 /nfs/dbraw/zinc/89/82/62/823898262.db2.gz YZEJZPDWUSSHOY-HUUCEWRRSA-N 1 0 384.973 4.071 20 0 GIADRO CC(C)c1ccc2c(c1)[C@H]([NH2+]Cc1ccc(N3CCO[C@@H](C)C3)nc1)CCCO2 ZINC000126556103 823898349 /nfs/dbraw/zinc/89/83/49/823898349.db2.gz JTPOZQVMTYXIJT-PGRDOPGGSA-N 1 0 395.547 4.434 20 0 GIADRO COC(=O)c1cnc([C@H](C)[NH2+]C[C@H]2CCN(c3cc(Cl)ccc3C)C2)s1 ZINC000414061287 823898629 /nfs/dbraw/zinc/89/86/29/823898629.db2.gz AOYORNQCYLYDIQ-UONOGXRCSA-N 1 0 393.940 4.069 20 0 GIADRO COc1cccc(Oc2ccc(C[NH2+][C@H](C)Cc3ccc(OC)nc3)cn2)c1 ZINC000414067602 823900199 /nfs/dbraw/zinc/90/01/99/823900199.db2.gz JDGLHYCQZNMJAA-MRXNPFEDSA-N 1 0 379.460 4.007 20 0 GIADRO COC(=O)c1cnc([C@H](C)[NH2+]C[C@H](C)CSc2ccccc2OC)s1 ZINC000414070498 823901219 /nfs/dbraw/zinc/90/12/19/823901219.db2.gz CHVNRTFWEXBGDJ-STQMWFEESA-N 1 0 380.535 4.017 20 0 GIADRO C[C@H]([NH2+]CC1(N(C)C)CCOCC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000168269703 823901577 /nfs/dbraw/zinc/90/15/77/823901577.db2.gz BIPKOXQIYZAZEV-LBPRGKRZSA-N 1 0 398.391 4.486 20 0 GIADRO FC(F)(F)CN1CC[C@@H](C[NH2+]Cc2ccc(Cl)cc2Br)C1 ZINC000126570365 823901570 /nfs/dbraw/zinc/90/15/70/823901570.db2.gz OPMDLLHJJGPLSN-JTQLQIEISA-N 1 0 385.655 4.076 20 0 GIADRO COc1ccc(Oc2cc(C[NH2+][C@H](C)Cc3ccc(OC)nc3)ccn2)cc1 ZINC000414073649 823902093 /nfs/dbraw/zinc/90/20/93/823902093.db2.gz NGZCAQAQRICVHX-MRXNPFEDSA-N 1 0 379.460 4.007 20 0 GIADRO Fc1cc(C[NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)ccc1OC(F)F ZINC000168292713 823902175 /nfs/dbraw/zinc/90/21/75/823902175.db2.gz LPNQJKUTQDUUSV-UHFFFAOYSA-N 1 0 397.784 4.463 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC000462259036 823902285 /nfs/dbraw/zinc/90/22/85/823902285.db2.gz MNSSUCUIGBJPAY-MGPUTAFESA-N 1 0 390.487 4.347 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1cc(-c2ccccn2)ccc1Cl)c1ccccc1 ZINC000168505010 823902982 /nfs/dbraw/zinc/90/29/82/823902982.db2.gz LYEMMQBMBKQCHY-OAQYLSRUSA-N 1 0 379.891 4.435 20 0 GIADRO COc1cc([C@H](C)[NH2+]C2CCN(c3cccs3)CC2)cc(OC)c1OC ZINC000168426332 823903108 /nfs/dbraw/zinc/90/31/08/823903108.db2.gz QMLHDUKTQGRTSC-AWEZNQCLSA-N 1 0 376.522 4.094 20 0 GIADRO COc1ccc2oc(C[NH2+]Cc3ccc(C)cc3OC[C@H]3CCOC3)cc2c1 ZINC000126575725 823903536 /nfs/dbraw/zinc/90/35/36/823903536.db2.gz KAKSZTIJFBQKBV-KRWDZBQOSA-N 1 0 381.472 4.455 20 0 GIADRO C[C@H](C(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1)[C@@H]1OCCc2sccc21 ZINC000575077950 823905451 /nfs/dbraw/zinc/90/54/51/823905451.db2.gz XBPQKFVDUXRYTP-FGSXEWAUSA-N 1 0 398.572 4.121 20 0 GIADRO COC(=O)c1cnc([C@H](C)NCc2ccccc2C[NH+]2CCC(C)CC2)s1 ZINC000414084556 823905696 /nfs/dbraw/zinc/90/56/96/823905696.db2.gz XVXKEGKBBFOBTO-INIZCTEOSA-N 1 0 387.549 4.012 20 0 GIADRO O=C(c1cccc(C[NH2+][C@H]2CC[C@H](c3cccc(Cl)c3)C2)c1)N1CCOCC1 ZINC000414085873 823906010 /nfs/dbraw/zinc/90/60/10/823906010.db2.gz YXDGWGQNKJLYLG-UGKGYDQZSA-N 1 0 398.934 4.238 20 0 GIADRO CC[C@H]([NH2+][C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1)[C@@H]1C[C@H]1C ZINC000414087237 823906209 /nfs/dbraw/zinc/90/62/09/823906209.db2.gz BELXCUQGLMRWCA-MSPZUWAUSA-N 1 0 375.509 4.343 20 0 GIADRO CC(C)OCc1ccc(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000462269175 823907319 /nfs/dbraw/zinc/90/73/19/823907319.db2.gz RRCNGFUKRDZGOS-GCJKJVERSA-N 1 0 381.520 4.254 20 0 GIADRO COc1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)ccc1OCC(F)(F)F ZINC000168926488 823907458 /nfs/dbraw/zinc/90/74/58/823907458.db2.gz BKSATWVJESAGPI-QGTPRVQTSA-N 1 0 385.426 4.074 20 0 GIADRO Cc1noc(-c2ccccc2)c1NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000126595649 823907738 /nfs/dbraw/zinc/90/77/38/823907738.db2.gz LMOCOCIDLVZCOC-KRWDZBQOSA-N 1 0 380.448 4.202 20 0 GIADRO CC(C)(C)C[C@@H]([NH2+]C[C@H](O)C1CCOCC1)c1ccc(Br)cc1 ZINC000414097676 823908631 /nfs/dbraw/zinc/90/86/31/823908631.db2.gz PPDSKQIAIXPJDF-MSOLQXFVSA-N 1 0 384.358 4.304 20 0 GIADRO C[C@H](NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1csc(-c2ccccc2)n1 ZINC000414096395 823908747 /nfs/dbraw/zinc/90/87/47/823908747.db2.gz QNCSFDYMQJXUKI-NDXORKPFSA-N 1 0 385.577 4.229 20 0 GIADRO COc1c(Br)cc(C[NH2+][C@H]2CC[C@H](F)C2)cc1Br ZINC000575089725 823908763 /nfs/dbraw/zinc/90/87/63/823908763.db2.gz WWIKEODLQFWZOT-UWVGGRQHSA-N 1 0 381.083 4.200 20 0 GIADRO C[C@H]([NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl)c1cc2n(n1)CCC2 ZINC000414099089 823909207 /nfs/dbraw/zinc/90/92/07/823909207.db2.gz KMIKUWIEPHENGJ-NSHDSACASA-N 1 0 388.821 4.016 20 0 GIADRO CCc1cc(N2CCC([NH2+][C@@H](C)c3csc(-c4ccccc4)n3)CC2)ncn1 ZINC000414099267 823909361 /nfs/dbraw/zinc/90/93/61/823909361.db2.gz JLUMFUVIQWCPSI-INIZCTEOSA-N 1 0 393.560 4.482 20 0 GIADRO C[C@H](NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1csc(-c2ccccc2)n1 ZINC000414109623 823911739 /nfs/dbraw/zinc/91/17/39/823911739.db2.gz HMDMDVOKURQJQY-MBSDFSHPSA-N 1 0 393.556 4.098 20 0 GIADRO CC(C)Cn1ncc(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1C(C)C ZINC000462288361 823913255 /nfs/dbraw/zinc/91/32/55/823913255.db2.gz ULIXYTYHEWDDHD-GHTZIAJQSA-N 1 0 397.567 4.305 20 0 GIADRO CS(=O)(=O)Cc1ccccc1C[NH2+][C@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000414119496 823913839 /nfs/dbraw/zinc/91/38/39/823913839.db2.gz WMZAZGZGUOIUDG-JXFKEZNVSA-N 1 0 377.937 4.311 20 0 GIADRO Brc1cccc([C@H]([NH2+][C@@H]2CCc3c[nH]nc3C2)c2ccccc2)c1 ZINC000414118815 823913920 /nfs/dbraw/zinc/91/39/20/823913920.db2.gz VUUQOIHNKQVDAG-UYAOXDASSA-N 1 0 382.305 4.409 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)NCc1ccc(F)cc1C(F)(F)F)c1cccs1 ZINC000126624482 823914240 /nfs/dbraw/zinc/91/42/40/823914240.db2.gz GYEKNUWJZCXRGZ-AWEZNQCLSA-N 1 0 389.418 4.008 20 0 GIADRO COC(=O)c1cnc([C@H](C)[NH2+]CC2(c3ccccc3Br)CC2)s1 ZINC000414122972 823914404 /nfs/dbraw/zinc/91/44/04/823914404.db2.gz OCIBQZRWCZXDIL-NSHDSACASA-N 1 0 395.322 4.075 20 0 GIADRO C[C@H]([NH2+]CCNc1nccc(C(F)(F)F)n1)c1csc(-c2ccccc2)n1 ZINC000414127714 823915376 /nfs/dbraw/zinc/91/53/76/823915376.db2.gz SNGQPEHJFYWZAW-LBPRGKRZSA-N 1 0 393.438 4.382 20 0 GIADRO COC(=O)c1cnc([C@H](C)[NH2+]CC2(c3cccc(Br)c3)CC2)s1 ZINC000414129100 823916093 /nfs/dbraw/zinc/91/60/93/823916093.db2.gz UQIMMNGBXXWGPH-NSHDSACASA-N 1 0 395.322 4.075 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+]CCc2cccc(Br)c2)s1 ZINC000414130423 823916313 /nfs/dbraw/zinc/91/63/13/823916313.db2.gz XAWHOMCIEHFQCW-LBPRGKRZSA-N 1 0 383.355 4.296 20 0 GIADRO Cc1csc([C@@H](C)C[NH2+]C[C@@H](O)COC(c2ccccc2)c2ccccc2)n1 ZINC000575117815 823916759 /nfs/dbraw/zinc/91/67/59/823916759.db2.gz IEUFDZPBQDXGJU-LAUBAEHRSA-N 1 0 396.556 4.312 20 0 GIADRO CCCc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1 ZINC000462304210 823917704 /nfs/dbraw/zinc/91/77/04/823917704.db2.gz CZJAECQWCUNTRE-XLIONFOSSA-N 1 0 392.590 4.062 20 0 GIADRO CC(=O)N1CC[C@H]([NH2+]Cc2ccc(Br)c(C)c2)c2ccccc2C1 ZINC000414145157 823918346 /nfs/dbraw/zinc/91/83/46/823918346.db2.gz NQYMKJNJKQBBAT-FQEVSTJZSA-N 1 0 387.321 4.341 20 0 GIADRO C[C@H](c1cccc(Cl)c1)[N@H+](C)CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000064960838 823918808 /nfs/dbraw/zinc/91/88/08/823918808.db2.gz UQQHCRGOMAVVNH-OAHLLOKOSA-N 1 0 381.925 4.205 20 0 GIADRO CC(C)Oc1cccc(C[NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000126646203 823918944 /nfs/dbraw/zinc/91/89/44/823918944.db2.gz CEWWRRGHKLMOPB-KDURUIRLSA-N 1 0 396.531 4.013 20 0 GIADRO CC(=O)Nc1ccc(CC(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000170497875 823920000 /nfs/dbraw/zinc/92/00/00/823920000.db2.gz WLWXBLUYZCSBLK-UHFFFAOYSA-N 1 0 379.504 4.058 20 0 GIADRO C[C@H](CC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1F ZINC000126655752 823920452 /nfs/dbraw/zinc/92/04/52/823920452.db2.gz HPTNLXTWAGGBBW-MRXNPFEDSA-N 1 0 387.474 4.228 20 0 GIADRO CS(=O)(=O)c1ccc(F)c(C[NH2+][C@@H]2CC[C@H](c3cccc(Cl)c3)C2)c1 ZINC000414160028 823920485 /nfs/dbraw/zinc/92/04/85/823920485.db2.gz ZBNQEUIIAVFXSW-WMLDXEAASA-N 1 0 381.900 4.309 20 0 GIADRO COC(=O)c1cnc([C@@H](C)[NH2+]CC2(OC)CCC(c3ccccc3)CC2)s1 ZINC000414163704 823921191 /nfs/dbraw/zinc/92/11/91/823921191.db2.gz NOFCFELOOYFPRG-FPPRHVDESA-N 1 0 388.533 4.323 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)CCCc1cc(F)ccc1F ZINC000126659568 823921224 /nfs/dbraw/zinc/92/12/24/823921224.db2.gz TUCGAOZOEVIEJC-UHFFFAOYSA-N 1 0 387.474 4.058 20 0 GIADRO COc1ccc([C@H](CO)C[NH2+][C@@H](C)c2cnn(-c3cccc(Cl)c3)c2C)cc1 ZINC000414171239 823922107 /nfs/dbraw/zinc/92/21/07/823922107.db2.gz CWCIMHSDCHDZKR-YJBOKZPZSA-N 1 0 399.922 4.269 20 0 GIADRO COc1ccc([C@H](CO)C[NH2+][C@@H](Cc2cccnc2)c2ccc(Cl)cc2)cc1 ZINC000414169193 823922219 /nfs/dbraw/zinc/92/22/19/823922219.db2.gz ATYZPWTYMVQZMC-REWPJTCUSA-N 1 0 396.918 4.393 20 0 GIADRO COc1ccc([C@@H](CO)C[NH2+][C@@H](C)c2ccc(Br)cc2F)cc1 ZINC000414172534 823922804 /nfs/dbraw/zinc/92/28/04/823922804.db2.gz FKXDFDLFHMGJEI-GXTWGEPZSA-N 1 0 382.273 4.024 20 0 GIADRO CC[C@@H]([NH2+]C[C@@H](CO)Cc1cc(F)cc(Br)c1)c1ccc(F)cn1 ZINC000414179402 823923299 /nfs/dbraw/zinc/92/32/99/823923299.db2.gz KQTXTKZJNSSTIZ-SUMWQHHRSA-N 1 0 399.279 4.014 20 0 GIADRO CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ncnc2c1cnn2C ZINC000575148351 823923556 /nfs/dbraw/zinc/92/35/56/823923556.db2.gz DJNMNBILDFJVHN-UHFFFAOYSA-N 1 0 389.303 4.037 20 0 GIADRO O=S1(=O)CC[C@H]([NH2+]C[C@@H]2CCC[C@@H]2C2CC2)c2cc(Br)ccc21 ZINC000414182160 823923968 /nfs/dbraw/zinc/92/39/68/823923968.db2.gz CUJBHZLBYZGGLY-LXZKKBNFSA-N 1 0 398.366 4.084 20 0 GIADRO COc1ccc([C@@H]([NH2+]CCC(C)(C)O)c2ccccc2)cc1Br ZINC000462320462 823923985 /nfs/dbraw/zinc/92/39/85/823923985.db2.gz RGKZPYUZCGFEDU-SFHVURJKSA-N 1 0 378.310 4.298 20 0 GIADRO CC(C)c1cccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000462323254 823924903 /nfs/dbraw/zinc/92/49/03/823924903.db2.gz HFPKHEGZOQISHG-PXNSSMCTSA-N 1 0 392.590 4.233 20 0 GIADRO Cc1cc(Cl)ccc1S(=O)(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000462326029 823925384 /nfs/dbraw/zinc/92/53/84/823925384.db2.gz JHMSDPCOQYPGCT-KDOFPFPSSA-N 1 0 398.981 4.071 20 0 GIADRO CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000170647278 823925601 /nfs/dbraw/zinc/92/56/01/823925601.db2.gz KAQHAGNVSUVYAA-HXUWFJFHSA-N 1 0 397.519 4.007 20 0 GIADRO CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](Cc2cc3ccccc3nc2Cl)C1 ZINC000170648102 823926742 /nfs/dbraw/zinc/92/67/42/823926742.db2.gz LPBUHGRWBSTYJK-CQSZACIVSA-N 1 0 375.900 4.235 20 0 GIADRO COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000575158717 823926801 /nfs/dbraw/zinc/92/68/01/823926801.db2.gz LYSWQBILOIDYLL-LQWHRVPQSA-N 1 0 395.547 4.453 20 0 GIADRO COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000575158719 823927007 /nfs/dbraw/zinc/92/70/07/823927007.db2.gz LYSWQBILOIDYLL-WFXMLNOXSA-N 1 0 395.547 4.453 20 0 GIADRO CCC[N@H+](Cc1nc2ccccc2o1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000170652463 823927261 /nfs/dbraw/zinc/92/72/61/823927261.db2.gz VUHLFSKWRGBONE-UHFFFAOYSA-N 1 0 377.488 4.345 20 0 GIADRO COCCNC(=O)C1([NH2+][C@@H](C)c2ccc(-c3ccccc3Cl)s2)CC1 ZINC000414204138 823928019 /nfs/dbraw/zinc/92/80/19/823928019.db2.gz HGBMXIYNDHWDSR-ZDUSSCGKSA-N 1 0 378.925 4.014 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H](C)c2ccccc2N(C)C)c1 ZINC000414210336 823929476 /nfs/dbraw/zinc/92/94/76/823929476.db2.gz MGLUXXYJHUDLEG-CQSZACIVSA-N 1 0 380.941 4.050 20 0 GIADRO Cc1ccc([C@H](C[NH2+]Cc2cscc2C(F)(F)F)N2CCOCC2)cc1 ZINC000575167355 823929910 /nfs/dbraw/zinc/92/99/10/823929910.db2.gz ALDNEEBXXKLZNZ-SFHVURJKSA-N 1 0 384.467 4.238 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H]2CCSc3ccccc32)c1 ZINC000414212682 823930401 /nfs/dbraw/zinc/93/04/01/823930401.db2.gz RNBJQJONGPFRSL-KRWDZBQOSA-N 1 0 381.950 4.460 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H](C)c2ccc(OC)c(OC)c2)c1 ZINC000414214199 823930815 /nfs/dbraw/zinc/93/08/15/823930815.db2.gz VDGDRWXJHRAPEQ-CYBMUJFWSA-N 1 0 397.924 4.002 20 0 GIADRO C[NH+]1CCN(Cc2ccc(C(=O)Nc3cccc(OC4CCCC4)c3)cc2)CC1 ZINC000065053971 823931352 /nfs/dbraw/zinc/93/13/52/823931352.db2.gz XRBNSKWPJPCMPG-UHFFFAOYSA-N 1 0 393.531 4.008 20 0 GIADRO Cc1nc(-c2ccc(C)cc2C)sc1C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000575173963 823931476 /nfs/dbraw/zinc/93/14/76/823931476.db2.gz GBTFBGUBEYPUPI-INIZCTEOSA-N 1 0 392.528 4.199 20 0 GIADRO O=C(CCCOc1cccc(Cl)c1Cl)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000575178639 823932418 /nfs/dbraw/zinc/93/24/18/823932418.db2.gz LUHAVIDRNVMEPU-OAHLLOKOSA-N 1 0 385.335 4.001 20 0 GIADRO Cc1noc(C)c1[C@H](C)CNC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000126711102 823933010 /nfs/dbraw/zinc/93/30/10/823933010.db2.gz LSHVHBLSELITMA-IAGOWNOFSA-N 1 0 398.551 4.358 20 0 GIADRO CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000414223793 823933240 /nfs/dbraw/zinc/93/32/40/823933240.db2.gz QQZVYHXVQUXJNK-VIZZQPHQSA-N 1 0 392.421 4.325 20 0 GIADRO C/C=C\COc1ccc(CC[C@@H](C)[NH2+]Cc2ccccc2S(C)(=O)=O)cc1 ZINC000414226406 823933839 /nfs/dbraw/zinc/93/38/39/823933839.db2.gz BZJXRPQRTQZYEG-PYTPGESOSA-N 1 0 387.545 4.156 20 0 GIADRO Cc1ccc(OCCC(=O)Nc2ccccc2NC2CC[NH+](C)CC2)cc1C ZINC000170678347 823935403 /nfs/dbraw/zinc/93/54/03/823935403.db2.gz ITOGITAPKMNZBC-UHFFFAOYSA-N 1 0 381.520 4.217 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@H](c1ccccc1)[C@@H]1CCCO1 ZINC000170679328 823935645 /nfs/dbraw/zinc/93/56/45/823935645.db2.gz CUKGGWALAGEAEN-XZOQPEGZSA-N 1 0 395.547 4.246 20 0 GIADRO C[NH+](C)CC[C@@H](NC(=O)Nc1c(F)cc(F)cc1Br)C(C)(C)C ZINC000192290669 823935738 /nfs/dbraw/zinc/93/57/38/823935738.db2.gz OGLXFXQKPYCANR-CYBMUJFWSA-N 1 0 392.288 4.215 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@H](C)c2cc(Cl)c(OC)cc2OC)cn1 ZINC000414236327 823936085 /nfs/dbraw/zinc/93/60/85/823936085.db2.gz AAOWYHGVPHCWQT-LAPQFRIASA-N 1 0 393.915 4.002 20 0 GIADRO CN(Cc1ccc(Cl)s1)C(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000575203143 823937821 /nfs/dbraw/zinc/93/78/21/823937821.db2.gz CIFWQIRVIJAXDI-VXGBXAGGSA-N 1 0 382.879 4.269 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(Cl)c2ccccc21 ZINC000462355179 823937904 /nfs/dbraw/zinc/93/79/04/823937904.db2.gz YAPPMZHSTPSHFM-AUUYWEPGSA-N 1 0 382.895 4.073 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(Cl)c2ccccc21 ZINC000462355181 823938049 /nfs/dbraw/zinc/93/80/49/823938049.db2.gz YAPPMZHSTPSHFM-KUHUBIRLSA-N 1 0 382.895 4.073 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(Cl)c2ccccc21 ZINC000462355180 823938099 /nfs/dbraw/zinc/93/80/99/823938099.db2.gz YAPPMZHSTPSHFM-IFXJQAMLSA-N 1 0 382.895 4.073 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000170684886 823938383 /nfs/dbraw/zinc/93/83/83/823938383.db2.gz JOLHPKATMNQUJB-VXKWHMMOSA-N 1 0 397.563 4.040 20 0 GIADRO CC(C)(CC[NH2+][C@@H]1CCCCc2ccc(Br)cc21)S(C)(=O)=O ZINC000414247038 823939865 /nfs/dbraw/zinc/93/98/65/823939865.db2.gz CFCJZFWCCOPXCY-MRXNPFEDSA-N 1 0 388.371 4.020 20 0 GIADRO CCOC(=O)c1ccc2c(c1)nc(C[N@H+](C)[C@H](C)Cc1ccc(O)cc1)n2CC ZINC000575212820 823940234 /nfs/dbraw/zinc/94/02/34/823940234.db2.gz IRLHFZVURWWYQJ-MRXNPFEDSA-N 1 0 395.503 4.002 20 0 GIADRO Cc1cccc(NC(=O)Cc2noc(-c3ccc(C[NH+]4CCCCC4)cc3)n2)c1 ZINC000575216530 823941601 /nfs/dbraw/zinc/94/16/01/823941601.db2.gz CHSUUQAAMJDWTB-UHFFFAOYSA-N 1 0 390.487 4.212 20 0 GIADRO O=C(c1cc(-c2cccc(Cl)c2)no1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000126751057 823941995 /nfs/dbraw/zinc/94/19/95/823941995.db2.gz UYEWESQOEYLNMU-HNAYVOBHSA-N 1 0 385.895 4.084 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)C2(c3cccc(F)c3)CCOCC2)c1 ZINC000126757220 823943044 /nfs/dbraw/zinc/94/30/44/823943044.db2.gz BFIPQZXZQNUYTI-UHFFFAOYSA-N 1 0 398.522 4.032 20 0 GIADRO C[C@@H](C[NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1)CC(F)(F)F ZINC000414257040 823943342 /nfs/dbraw/zinc/94/33/42/823943342.db2.gz DEFCAXVESRKXSD-CABCVRRESA-N 1 0 392.487 4.100 20 0 GIADRO Cc1cc(C[NH2+]Cc2ccc(CN3CCOCC3)cc2)ccc1C(F)(F)F ZINC000414258776 823943864 /nfs/dbraw/zinc/94/38/64/823943864.db2.gz MEAHNNLMFLRHRZ-UHFFFAOYSA-N 1 0 378.438 4.136 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000170697303 823944742 /nfs/dbraw/zinc/94/47/42/823944742.db2.gz SRQMMCKMWRIRTG-UHFFFAOYSA-N 1 0 388.899 4.053 20 0 GIADRO Cc1cc(C[NH2+][C@H](C)CCc2ccc(Br)cc2)ccc1-n1cncn1 ZINC000462370450 823945605 /nfs/dbraw/zinc/94/56/05/823945605.db2.gz SPWKADHCIBBPAJ-MRXNPFEDSA-N 1 0 399.336 4.449 20 0 GIADRO O=C(c1ccc2[nH]c3c(c2c1)CCCC3)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000126765681 823945554 /nfs/dbraw/zinc/94/55/54/823945554.db2.gz HGZCIXWJGSTWCP-HXOBKFHXSA-N 1 0 377.532 4.136 20 0 GIADRO CC(C)c1c(NC(=O)N(CC[NH+](C)C)Cc2ccco2)cnn1-c1ccccc1 ZINC000192329972 823947839 /nfs/dbraw/zinc/94/78/39/823947839.db2.gz IHMQUCRSVSVUGQ-UHFFFAOYSA-N 1 0 395.507 4.184 20 0 GIADRO CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCCc3nc(-c4ccc(Cl)cc4)sc32)C1 ZINC000575238192 823949080 /nfs/dbraw/zinc/94/90/80/823949080.db2.gz SHXMZVHDEVVBTG-HZPDHXFCSA-N 1 0 375.925 4.051 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccccc2C(=O)c2ccccc2)C1 ZINC000065140516 823950808 /nfs/dbraw/zinc/95/08/08/823950808.db2.gz ZZBLPYGDTCSMIW-DENIHFKCSA-N 1 0 398.506 4.483 20 0 GIADRO CC(C)(C)C[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)c1ccccc1 ZINC000414284451 823951359 /nfs/dbraw/zinc/95/13/59/823951359.db2.gz KPPMTAGSELBTOR-QGZVFWFLSA-N 1 0 380.941 4.255 20 0 GIADRO CN(C)c1ncc(C[NH2+][C@@H](c2cccs2)c2ccc3c(c2)CCCC3)n1C ZINC000414289858 823952125 /nfs/dbraw/zinc/95/21/25/823952125.db2.gz WHKCIVZDTALNJD-OAQYLSRUSA-N 1 0 380.561 4.306 20 0 GIADRO CCN(CC)c1ccc(C[NH2+][C@H](C)c2ccc(NC(=O)NC3CC3)cc2)cn1 ZINC000126791377 823952543 /nfs/dbraw/zinc/95/25/43/823952543.db2.gz JVWAYLLBCVKPSR-MRXNPFEDSA-N 1 0 381.524 4.063 20 0 GIADRO O=C(C[N@@H+](Cc1ccccc1)CC1CCC1)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000065161748 823954850 /nfs/dbraw/zinc/95/48/50/823954850.db2.gz VUBVDFBSYRKNPL-HSZRJFAPSA-N 1 0 396.506 4.028 20 0 GIADRO COCC1CCC([NH2+][C@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)CC1 ZINC000414308669 823955067 /nfs/dbraw/zinc/95/50/67/823955067.db2.gz INBLWBCQWGDFOX-LRYGQEGESA-N 1 0 379.566 4.259 20 0 GIADRO COCCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCCN(Cc3cccs3)C2)cc1 ZINC000126806432 823955938 /nfs/dbraw/zinc/95/59/38/823955938.db2.gz PJVJKYJAKPGHEP-OALUTQOASA-N 1 0 388.577 4.336 20 0 GIADRO CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H](CO)c2ccc(F)cc2)cc1 ZINC000414314777 823956145 /nfs/dbraw/zinc/95/61/45/823956145.db2.gz QVDFWMIZGLTSLN-APWZRJJASA-N 1 0 387.499 4.126 20 0 GIADRO OC1(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CCCCC1 ZINC000065170799 823956370 /nfs/dbraw/zinc/95/63/70/823956370.db2.gz CHJDGTPPWYIZIU-UHFFFAOYSA-N 1 0 379.479 4.463 20 0 GIADRO CCc1ncc(C[NH2+]CC2(c3ccc(Cl)cc3Cl)CCOCC2)cn1 ZINC000414312854 823956325 /nfs/dbraw/zinc/95/63/25/823956325.db2.gz XGHJADBYAPRMOR-UHFFFAOYSA-N 1 0 380.319 4.184 20 0 GIADRO CCc1ncc(C[NH2+][C@H](C)c2cccc(NC(=O)Cc3ccccc3F)c2)cn1 ZINC000414316343 823956663 /nfs/dbraw/zinc/95/66/63/823956663.db2.gz UJBAIADGTCJZCA-MRXNPFEDSA-N 1 0 392.478 4.210 20 0 GIADRO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000192354344 823957215 /nfs/dbraw/zinc/95/72/15/823957215.db2.gz BSUVQAYUWLCCGY-DYVFJYSZSA-N 1 0 388.895 4.357 20 0 GIADRO c1ccc(CN2CCCO[C@@H](C[NH2+]Cc3cccc(-c4cccnc4)c3)C2)cc1 ZINC000192355468 823957773 /nfs/dbraw/zinc/95/77/73/823957773.db2.gz FNMYMXYCIMZWFP-VWLOTQADSA-N 1 0 387.527 4.129 20 0 GIADRO Cc1nn(-c2cccc(F)c2)cc1C[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000414323547 823958384 /nfs/dbraw/zinc/95/83/84/823958384.db2.gz HJDVWPPQJTWVJZ-UHFFFAOYSA-N 1 0 375.394 4.254 20 0 GIADRO O=C(C[NH2+][C@H]1CCCc2c(O)cccc21)N(Cc1ccco1)c1ccccc1 ZINC000192358273 823958624 /nfs/dbraw/zinc/95/86/24/823958624.db2.gz XOZYUDSZAZLNBW-NRFANRHFSA-N 1 0 376.456 4.186 20 0 GIADRO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@@H]1CCC[C@@H](CO)C1 ZINC000414328218 823959464 /nfs/dbraw/zinc/95/94/64/823959464.db2.gz CIWPIIKLSXXSCM-JHJVBQTASA-N 1 0 392.849 4.217 20 0 GIADRO COC(=O)CC[C@H]([NH2+]Cc1cn(-c2cccc(F)c2)nc1C)c1ccccc1 ZINC000414335469 823960397 /nfs/dbraw/zinc/96/03/97/823960397.db2.gz ODPSMLMCMCKPFQ-NRFANRHFSA-N 1 0 381.451 4.104 20 0 GIADRO CCCC[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)c1ccc(OC)cc1 ZINC000414335821 823960837 /nfs/dbraw/zinc/96/08/37/823960837.db2.gz YQJVRMLPONGXFO-SFHVURJKSA-N 1 0 396.940 4.017 20 0 GIADRO C[C@H]([NH2+][C@H]1CCN(c2ccc(F)cc2)C1)c1ncc(Br)cc1F ZINC000414344962 823961592 /nfs/dbraw/zinc/96/15/92/823961592.db2.gz KSUNNJXEWSHMBX-FZMZJTMJSA-N 1 0 382.252 4.052 20 0 GIADRO Cc1c([C@@H](C)[NH2+][C@@H](C)C(=O)NC(C)C)cnn1-c1ccc(Cl)cc1Cl ZINC000414345718 823962222 /nfs/dbraw/zinc/96/22/22/823962222.db2.gz PCJWIEDETGOTIY-NEPJUHHUSA-N 1 0 383.323 4.051 20 0 GIADRO COCC[C@H]1CCC[C@@H]1[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000414351822 823962772 /nfs/dbraw/zinc/96/27/72/823962772.db2.gz OKSCQRQLZVNTQV-XLIONFOSSA-N 1 0 395.385 4.208 20 0 GIADRO Brc1cccc(CN2CCC([NH2+][C@@H]3CCOC4(CCC4)C3)CC2)c1 ZINC000414350090 823962841 /nfs/dbraw/zinc/96/28/41/823962841.db2.gz KZWCEQBJCDEKEK-LJQANCHMSA-N 1 0 393.369 4.105 20 0 GIADRO C[C@H]([NH2+]C1CCN(Cc2cccc(Br)c2)CC1)c1cncs1 ZINC000414355338 823963582 /nfs/dbraw/zinc/96/35/82/823963582.db2.gz WXXZOWWSJSXGOM-ZDUSSCGKSA-N 1 0 380.355 4.221 20 0 GIADRO COc1ccc(Br)c(C[NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)c1 ZINC000192374981 823964168 /nfs/dbraw/zinc/96/41/68/823964168.db2.gz KJSXYVUHVMNSSB-KXBFYZLASA-N 1 0 376.294 4.325 20 0 GIADRO O[C@@H](C[NH2+][C@@H]1CCOc2c(-c3ccccc3)cccc21)COCc1cccs1 ZINC000575377200 823965317 /nfs/dbraw/zinc/96/53/17/823965317.db2.gz HQWNNOOGTZFGJU-PGRDOPGGSA-N 1 0 395.524 4.406 20 0 GIADRO O=C([C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1)N1CCC([NH2+]C2CCCC2)CC1 ZINC000126851416 823966343 /nfs/dbraw/zinc/96/63/43/823966343.db2.gz BOOLOJHRYRLPGM-MOPGFXCFSA-N 1 0 380.454 4.332 20 0 GIADRO COc1cc(C[NH2+]C[C@H](C)Cn2ccnc2)ccc1OCc1ccc(F)cc1 ZINC000126854623 823967347 /nfs/dbraw/zinc/96/73/47/823967347.db2.gz WOSDTQFPBWMQAP-KRWDZBQOSA-N 1 0 383.467 4.036 20 0 GIADRO COCc1ncsc1C(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000575408516 823967739 /nfs/dbraw/zinc/96/77/39/823967739.db2.gz PNWIUSDUMDFQMU-UHFFFAOYSA-N 1 0 391.562 4.120 20 0 GIADRO CC(C)[NH2+]C1CCN(C(=O)Nc2ncc(Cc3ccccc3Cl)s2)CC1 ZINC000170791274 823972334 /nfs/dbraw/zinc/97/23/34/823972334.db2.gz NMIMQZSOTRBGJM-UHFFFAOYSA-N 1 0 392.956 4.382 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)Nc2ccccc2C(F)(F)F)cc1F ZINC000414402768 823972580 /nfs/dbraw/zinc/97/25/80/823972580.db2.gz QEKBKHPFRHWEIO-UHFFFAOYSA-N 1 0 385.361 4.429 20 0 GIADRO CN(C(=O)c1cnc(C(C)(C)C)s1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000126888925 823974369 /nfs/dbraw/zinc/97/43/69/823974369.db2.gz ZHPSGHNYRDDEEA-UHFFFAOYSA-N 1 0 387.549 4.192 20 0 GIADRO Cc1cc(NC(=O)N2CCC([NH+]3CCCC3)CC2)cc(C)c1Br ZINC000192418686 823981198 /nfs/dbraw/zinc/98/11/98/823981198.db2.gz CZALDLLTLZQBSR-UHFFFAOYSA-N 1 0 380.330 4.158 20 0 GIADRO Cc1cc(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc(C)c1Br ZINC000192420172 823982391 /nfs/dbraw/zinc/98/23/91/823982391.db2.gz JJUPAKPHHNXVNE-ZBFHGGJFSA-N 1 0 380.330 4.014 20 0 GIADRO Cc1cc(C[NH2+]C[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)ccc1C(F)(F)F ZINC000414429018 823983036 /nfs/dbraw/zinc/98/30/36/823983036.db2.gz HNILMSVEASQVFN-ZBFHGGJFSA-N 1 0 381.398 4.284 20 0 GIADRO CC(C)(C)[C@H](NC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)C(F)(F)F ZINC000575736619 823983445 /nfs/dbraw/zinc/98/34/45/823983445.db2.gz ZEXBPVXMAUIPIH-PXNSSMCTSA-N 1 0 397.485 4.271 20 0 GIADRO Cc1nc2ccccn2c(=O)c1CC[N@@H+]1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000575737545 823983718 /nfs/dbraw/zinc/98/37/18/823983718.db2.gz FMAWOEUSUQGGOH-MRXNPFEDSA-N 1 0 399.897 4.045 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)Nc2cc(C(F)(F)F)ccn2)CC1 ZINC000192422286 823984792 /nfs/dbraw/zinc/98/47/92/823984792.db2.gz SVNULGYWDCLUSL-AWEZNQCLSA-N 1 0 392.425 4.448 20 0 GIADRO C[C@H](c1ccc(F)cc1F)[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000170834646 823985268 /nfs/dbraw/zinc/98/52/68/823985268.db2.gz OXFXUJORTHSESL-CYBMUJFWSA-N 1 0 388.414 4.105 20 0 GIADRO Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000414435331 823985569 /nfs/dbraw/zinc/98/55/69/823985569.db2.gz QWSQFZFTOXOEGL-UNMCSNQZSA-N 1 0 383.442 4.469 20 0 GIADRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)Nc3cc(-c4ccccc4)on3)C2)CC1 ZINC000126940101 823985921 /nfs/dbraw/zinc/98/59/21/823985921.db2.gz IACCVIOMAOUWDT-SFHVURJKSA-N 1 0 382.508 4.317 20 0 GIADRO CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)c(C)c2)C1 ZINC000414437067 823986003 /nfs/dbraw/zinc/98/60/03/823986003.db2.gz TXEOCASGRVJCND-OAHLLOKOSA-N 1 0 380.414 4.075 20 0 GIADRO CS(=O)(=O)c1ccc(C[NH2+][C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)s1 ZINC000414450308 823987610 /nfs/dbraw/zinc/98/76/10/823987610.db2.gz WWLRXBLLKZUIIX-MQMHXKEQSA-N 1 0 389.464 4.206 20 0 GIADRO CC1(C)Cc2cccc(C[NH2+]Cc3ccc(COC4CCOCC4)cc3)c2O1 ZINC000126956519 823988932 /nfs/dbraw/zinc/98/89/32/823988932.db2.gz QMURYINYXOVDQK-UHFFFAOYSA-N 1 0 381.516 4.386 20 0 GIADRO Cc1ccc(C[NH2+]C[C@H](c2ccc(Cl)cc2)N(C)CCC(F)(F)F)nn1 ZINC000414461815 823989471 /nfs/dbraw/zinc/98/94/71/823989471.db2.gz ZAADEBILNLLRMX-QGZVFWFLSA-N 1 0 386.849 4.154 20 0 GIADRO Cc1cc(C[NH+](C)C)ccc1NS(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000414466049 823990082 /nfs/dbraw/zinc/99/00/82/823990082.db2.gz YUIMQZXIALEJIH-UHFFFAOYSA-N 1 0 387.332 4.305 20 0 GIADRO Cc1nc(COc2ccc(C[N@@H+]3C[C@H](O)C[C@H]3c3ccccc3)cc2)cs1 ZINC000414489176 823993955 /nfs/dbraw/zinc/99/39/55/823993955.db2.gz SMZWDYNZADEAKK-IRLDBZIGSA-N 1 0 380.513 4.338 20 0 GIADRO Cn1c(CNc2ccc(C[NH+](C)C)cc2F)nc2cc(C(F)(F)F)ccc21 ZINC000414490745 823994265 /nfs/dbraw/zinc/99/42/65/823994265.db2.gz SCJCCBBPCPFKPA-UHFFFAOYSA-N 1 0 380.389 4.405 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1ccc(F)cc1OCC(F)F ZINC000575783668 823994274 /nfs/dbraw/zinc/99/42/74/823994274.db2.gz BDVFUHSJESIPOA-CQSZACIVSA-N 1 0 387.446 4.246 20 0 GIADRO COc1ccc(Cn2nc(C)c(CNc3ccc(C[NH+](C)C)cc3F)c2C)cc1 ZINC000414498791 823995802 /nfs/dbraw/zinc/99/58/02/823995802.db2.gz NMXNGJJAZCKOLC-UHFFFAOYSA-N 1 0 396.510 4.370 20 0 GIADRO CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000126993792 823996772 /nfs/dbraw/zinc/99/67/72/823996772.db2.gz BOYGIIKTRXJBEX-QHCPKHFHSA-N 1 0 398.522 4.253 20 0 GIADRO O=C(N[C@@H](c1nccs1)c1ccccc1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000170880155 823998933 /nfs/dbraw/zinc/99/89/33/823998933.db2.gz WBYYPYJXWMOMTD-HXUWFJFHSA-N 1 0 398.576 4.186 20 0 GIADRO CC(C)(C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1)OCC1CC1 ZINC000414513052 823999002 /nfs/dbraw/zinc/99/90/02/823999002.db2.gz DXZJEDIZQHAQGH-UHFFFAOYSA-N 1 0 390.531 4.288 20 0 GIADRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)c1cc(Cl)c(Cl)[nH]1)c1ccccc1O2 ZINC000192461462 823999222 /nfs/dbraw/zinc/99/92/22/823999222.db2.gz AXFLVWUHTYRKAZ-HNNXBMFYSA-N 1 0 394.302 4.040 20 0 GIADRO C[C@H](SCc1ccccc1)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000192461000 823999384 /nfs/dbraw/zinc/99/93/84/823999384.db2.gz CATQVGPHVRUGPJ-IBGZPJMESA-N 1 0 382.573 4.132 20 0 GIADRO CC[NH+](CC)CCn1ccc2cc(NC(=O)C[C@H](C)c3c(C)n[nH]c3C)ccc21 ZINC000127007986 823999754 /nfs/dbraw/zinc/99/97/54/823999754.db2.gz PYUGBYDWJYZLTB-INIZCTEOSA-N 1 0 395.551 4.455 20 0 GIADRO CC[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2)CC(F)(F)F ZINC000414517762 823999765 /nfs/dbraw/zinc/99/97/65/823999765.db2.gz SIBAPNALUYDTJV-AWEZNQCLSA-N 1 0 397.441 4.317 20 0 GIADRO COc1ccc(NC(=O)C[N@H+](CC(C)C)[C@H]2CCCc3cccnc32)cc1OC ZINC000127007773 823999921 /nfs/dbraw/zinc/99/99/21/823999921.db2.gz KOWDYDLZQVHKIS-IBGZPJMESA-N 1 0 397.519 4.073 20 0 GIADRO C[C@H]([NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccc(Br)cn1 ZINC000575802746 824000570 /nfs/dbraw/zinc/00/05/70/824000570.db2.gz PVLRZZCHRDYBSW-BUXKBTBVSA-N 1 0 389.293 4.417 20 0 GIADRO COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N[C@](C)(C[NH3+])C2CC2)cc1 ZINC000575810973 824001426 /nfs/dbraw/zinc/00/14/26/824001426.db2.gz BORIDLATKYXETO-XMMPIXPASA-N 1 0 391.515 4.020 20 0 GIADRO Clc1cccc(Cl)c1-c1nnc(C[N@@H+]2CC[C@@H](c3ccncc3)C2)o1 ZINC000575813001 824001834 /nfs/dbraw/zinc/00/18/34/824001834.db2.gz TYNCXKGLCUZLSP-CYBMUJFWSA-N 1 0 375.259 4.428 20 0 GIADRO C[C@@H]1C[C@H]([NH3+])CCN1CC(=O)Nc1ccccc1Sc1ccc(Cl)cc1 ZINC000575811854 824001917 /nfs/dbraw/zinc/00/19/17/824001917.db2.gz FMNYCULZSXAMDG-GDBMZVCRSA-N 1 0 389.952 4.241 20 0 GIADRO CC(=O)Nc1ccc(CNC(=[NH2+])N[C@@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000170909925 824004090 /nfs/dbraw/zinc/00/40/90/824004090.db2.gz NWWFIVBMUCHHNI-NSHDSACASA-N 1 0 379.291 4.117 20 0 GIADRO C[C@@H]1C[C@@H]([N@H+](C)Cc2cc3ccccc3n(C)c2=O)CCN1Cc1ccccc1 ZINC000575822586 824004205 /nfs/dbraw/zinc/00/42/05/824004205.db2.gz PWKNLKVEKJHXHU-XXBNENTESA-N 1 0 389.543 4.023 20 0 GIADRO OCC1([C@H]([NH2+]Cc2ccc(OCC3CC3)cc2)c2ccccc2)CCOCC1 ZINC000414534466 824004119 /nfs/dbraw/zinc/00/41/19/824004119.db2.gz GIBQYHUYAFTZCL-HSZRJFAPSA-N 1 0 381.516 4.095 20 0 GIADRO CC(C)[C@@H]1[N@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)CC12CCOCC2 ZINC000414538709 824005406 /nfs/dbraw/zinc/00/54/06/824005406.db2.gz MKQBXKGCVJHKRY-KRWDZBQOSA-N 1 0 375.406 4.404 20 0 GIADRO Cc1nn(-c2ccccn2)c(C)c1C[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000414540501 824005708 /nfs/dbraw/zinc/00/57/08/824005708.db2.gz BSSZFDPXVZUZBF-QHCPKHFHSA-N 1 0 388.515 4.238 20 0 GIADRO Cc1ccc(OCCCC(=O)Nc2ccc(C[NH2+][C@@H]3CCOC[C@H]3C)cc2)cc1 ZINC000192478296 824006325 /nfs/dbraw/zinc/00/63/25/824006325.db2.gz KXWTZGMXPWKCRS-AUSIDOKSSA-N 1 0 396.531 4.307 20 0 GIADRO C[C@@H](CCc1cccc(F)c1)C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000127053272 824008146 /nfs/dbraw/zinc/00/81/46/824008146.db2.gz SODWUOZXXTYBMY-SFHVURJKSA-N 1 0 398.522 4.237 20 0 GIADRO OCC1(c2ccccc2)C[NH+](Cc2cccc(OCc3ccc(F)cc3)c2)C1 ZINC000414549588 824008327 /nfs/dbraw/zinc/00/83/27/824008327.db2.gz LOVVMZAVAWJCDM-UHFFFAOYSA-N 1 0 377.459 4.151 20 0 GIADRO CCS(=O)(=O)CCC[NH2+]Cc1ccc(-c2ccccc2Br)cc1 ZINC000414548327 824008361 /nfs/dbraw/zinc/00/83/61/824008361.db2.gz XPLYDBXCDOQZOF-UHFFFAOYSA-N 1 0 396.350 4.031 20 0 GIADRO CCN(CC)C(=O)C1CCN(Cc2c(Cl)cc(Cl)cc2N(C)C)CC1 ZINC000575843914 824010272 /nfs/dbraw/zinc/01/02/72/824010272.db2.gz DGDHQHBUQSEQKK-UHFFFAOYSA-N 1 0 386.367 4.140 20 0 GIADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)Nc1ccc(COC)cc1 ZINC000192494857 824010768 /nfs/dbraw/zinc/01/07/68/824010768.db2.gz QOXGHRRABYTODC-UHFFFAOYSA-N 1 0 375.538 4.270 20 0 GIADRO COc1cc(C[NH2+]C(C)(C)COC(C)C)ccc1OCc1c(C)noc1C ZINC000414556016 824011341 /nfs/dbraw/zinc/01/13/41/824011341.db2.gz VBVWOCCVTYGDGS-UHFFFAOYSA-N 1 0 376.497 4.172 20 0 GIADRO COc1cccc([C@@H]2C[C@H]2C[NH2+]Cc2cc(Br)c(O)c(OC)c2)c1 ZINC000414558571 824012331 /nfs/dbraw/zinc/01/23/31/824012331.db2.gz SNICIFKMNMNBKD-HOCLYGCPSA-N 1 0 392.293 4.065 20 0 GIADRO COc1ccc2oc([C@H](C)NC(=O)N3CCC([C@H]4[NH2+]CC4(C)C)CC3)c(C)c2c1 ZINC000575852962 824012785 /nfs/dbraw/zinc/01/27/85/824012785.db2.gz QMPOMMKGEYTSCO-YCRPNKLZSA-N 1 0 399.535 4.230 20 0 GIADRO CC(C)[N@@H+](Cc1cccc(NC(=O)c2ccccc2Cl)c1)C[C@H]1CCC(=O)N1 ZINC000414565587 824014017 /nfs/dbraw/zinc/01/40/17/824014017.db2.gz YYVSIBSJBKFOQR-GOSISDBHSA-N 1 0 399.922 4.081 20 0 GIADRO OC[C@H]1CCC[C@@H]([NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)C1 ZINC000414583210 824015739 /nfs/dbraw/zinc/01/57/39/824015739.db2.gz SAWPFTWYYCARAL-NZQKXSOJSA-N 1 0 375.516 4.239 20 0 GIADRO Cc1cc(NC(=O)C[N@@H+](CC(C)C)[C@@H]2CCCc3cccnc32)n(C(C)(C)C)n1 ZINC000127096405 824016621 /nfs/dbraw/zinc/01/66/21/824016621.db2.gz ZWNCDJRYAXWWDP-LJQANCHMSA-N 1 0 397.567 4.316 20 0 GIADRO CCc1ccc(C[NH2+]C2CCN(Cc3cccc(Br)c3)CC2)cn1 ZINC000414589755 824016797 /nfs/dbraw/zinc/01/67/97/824016797.db2.gz QATVICBDYOVXMW-UHFFFAOYSA-N 1 0 388.353 4.161 20 0 GIADRO Cc1nc(C2CC2)oc1C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000575884935 824019847 /nfs/dbraw/zinc/01/98/47/824019847.db2.gz CYWSLWLGZHVLDV-UHFFFAOYSA-N 1 0 389.883 4.239 20 0 GIADRO CC[C@@H]([NH2+]C[C@H]1CCN(S(=O)(=O)c2cccs2)C1)c1cccc(Cl)c1 ZINC000575889742 824020916 /nfs/dbraw/zinc/02/09/16/824020916.db2.gz KAWZCBJGUOWXKP-RHSMWYFYSA-N 1 0 398.981 4.153 20 0 GIADRO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000414691406 824024309 /nfs/dbraw/zinc/02/43/09/824024309.db2.gz JBOGMIVCKLOLDS-GFCCVEGCSA-N 1 0 375.822 4.212 20 0 GIADRO [NH3+][C@@H]1CN(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C[C@H]1c1ccccc1 ZINC000414702140 824024815 /nfs/dbraw/zinc/02/48/15/824024815.db2.gz UUTGDZRDONWYSP-XJKSGUPXSA-N 1 0 383.801 4.317 20 0 GIADRO Cc1ncc([C@H](C)[NH2+]C[C@@H]2CCN(c3cccc(Br)c3)C2)s1 ZINC000127140435 824025127 /nfs/dbraw/zinc/02/51/27/824025127.db2.gz USITVOQRQOCLJL-JSGCOSHPSA-N 1 0 380.355 4.391 20 0 GIADRO C[C@@H]([NH3+])C1CCN(C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)CC1 ZINC000414703014 824025221 /nfs/dbraw/zinc/02/52/21/824025221.db2.gz BTEWXVBXMIPRAB-SECBINFHSA-N 1 0 394.235 4.059 20 0 GIADRO [NH3+]CC[C@H]1CCCN(C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)C1 ZINC000414715519 824026137 /nfs/dbraw/zinc/02/61/37/824026137.db2.gz QYCZKKLTHLYRCQ-SNVBAGLBSA-N 1 0 394.235 4.061 20 0 GIADRO [NH3+]C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(Br)cc3)cc2)C1 ZINC000414721235 824026542 /nfs/dbraw/zinc/02/65/42/824026542.db2.gz BKQXTLUMXIANSM-ZDUSSCGKSA-N 1 0 390.281 4.054 20 0 GIADRO COc1ccc(OCc2ccccn2)c(C[N@@H+]2CCCCC[C@H]2C[C@@H](C)O)c1 ZINC000575907602 824026569 /nfs/dbraw/zinc/02/65/69/824026569.db2.gz NRDCANZGHWJBSH-NQIIRXRSSA-N 1 0 384.520 4.185 20 0 GIADRO CCNC(=O)COc1ccc(C[N@@H+]2C[C@H](C)CC[C@@H]2c2ccccc2)cc1OC ZINC000575907465 824026599 /nfs/dbraw/zinc/02/65/99/824026599.db2.gz HNKDRVAZTJDOMH-WIYYLYMNSA-N 1 0 396.531 4.183 20 0 GIADRO CCCOc1ccc(NC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)cc1OCCC ZINC000414719276 824026719 /nfs/dbraw/zinc/02/67/19/824026719.db2.gz UTZQHRAQMOTGRX-GOSISDBHSA-N 1 0 389.540 4.118 20 0 GIADRO COc1ccc([C@@H]2CCCC[C@H]2[NH2+]C2CCN(C(=O)C(C)C)CC2)cc1F ZINC000575911021 824027421 /nfs/dbraw/zinc/02/74/21/824027421.db2.gz RXMXHECRSTZFOC-AZUAARDMSA-N 1 0 376.516 4.097 20 0 GIADRO CCOc1ccc(Oc2ccc(NC(=O)N3CCC[C@H]([C@H](C)[NH3+])C3)cc2)cc1 ZINC000414725739 824028290 /nfs/dbraw/zinc/02/82/90/824028290.db2.gz MPUYSPWXPXYQJB-IRXDYDNUSA-N 1 0 383.492 4.469 20 0 GIADRO COc1cccc(SCC(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c1 ZINC000575913939 824028701 /nfs/dbraw/zinc/02/87/01/824028701.db2.gz SQUJHGYFBYCMIZ-FQEVSTJZSA-N 1 0 398.572 4.206 20 0 GIADRO CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H](c2ccccc2)C(CC)CC)c1 ZINC000414728246 824028742 /nfs/dbraw/zinc/02/87/42/824028742.db2.gz NZGXSGPVBZGVMW-OAQYLSRUSA-N 1 0 381.520 4.028 20 0 GIADRO C[C@H]1C[C@@H](NC(=O)Nc2ncc(Cc3ccc(C(F)(F)F)cc3)s2)CC[NH2+]1 ZINC000414729029 824029323 /nfs/dbraw/zinc/02/93/23/824029323.db2.gz DUIOKYSOGXEWLU-FZMZJTMJSA-N 1 0 398.454 4.015 20 0 GIADRO C[C@@H](OC[C@@H](O)C[NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1)c1ccc(Cl)cc1 ZINC000575917912 824029785 /nfs/dbraw/zinc/02/97/85/824029785.db2.gz ZAAWNRNQVCSTBD-ZJMJOCHXSA-N 1 0 389.923 4.288 20 0 GIADRO Cc1ccc(Cc2cnc(NC(=O)N3CCC[C@@H]([C@H](C)[NH3+])C3)s2)cc1Cl ZINC000414733147 824030043 /nfs/dbraw/zinc/03/00/43/824030043.db2.gz JRLNTAMAEUDWMX-DZGCQCFKSA-N 1 0 392.956 4.287 20 0 GIADRO O=c1cc(C[NH+]2CCC(c3cccc(F)c3F)CC2)nc2ccc(Cl)cn12 ZINC000575922540 824030189 /nfs/dbraw/zinc/03/01/89/824030189.db2.gz NIHNLIKSYHGLEX-UHFFFAOYSA-N 1 0 389.833 4.006 20 0 GIADRO CN(C(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1)[C@@H](C[NH3+])C1CC1 ZINC000414735098 824030300 /nfs/dbraw/zinc/03/03/00/824030300.db2.gz BXGIDSFIFMWSDX-AWEZNQCLSA-N 1 0 384.427 4.030 20 0 GIADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000414735958 824030829 /nfs/dbraw/zinc/03/08/29/824030829.db2.gz CLPAPQQIQKSVRY-GHMZBOCLSA-N 1 0 384.427 4.030 20 0 GIADRO O=C(Nc1cccc(C[S@@](=O)C2CCCCC2)c1)C1CC[NH+](C2CC2)CC1 ZINC000192560538 824031858 /nfs/dbraw/zinc/03/18/58/824031858.db2.gz GPQMCDQNHSOLBH-HHHXNRCGSA-N 1 0 388.577 4.081 20 0 GIADRO [NH3+]CCC[C@@H](NC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)c1ccccc1 ZINC000414752642 824033137 /nfs/dbraw/zinc/03/31/37/824033137.db2.gz CFHJTDIEFSFQET-HXUWFJFHSA-N 1 0 389.503 4.351 20 0 GIADRO CC(C)(C)n1nc(C(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)cc1C1CC1 ZINC000575942253 824033557 /nfs/dbraw/zinc/03/35/57/824033557.db2.gz BXDGWSDJZTZUGT-LJQANCHMSA-N 1 0 386.584 4.290 20 0 GIADRO CC[NH2+]CC1CCN(C(=O)Nc2ccc(OC)c(Cc3ccccc3)c2)CC1 ZINC000414757686 824033645 /nfs/dbraw/zinc/03/36/45/824033645.db2.gz BEEPSVGBERGWME-UHFFFAOYSA-N 1 0 381.520 4.139 20 0 GIADRO CCOc1c(Br)cc(Cl)cc1NC(=O)N[C@@H](C)CCCC[NH3+] ZINC000414782530 824035877 /nfs/dbraw/zinc/03/58/77/824035877.db2.gz XSEYKXBOVFICAV-JTQLQIEISA-N 1 0 392.725 4.140 20 0 GIADRO CN(C(=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1)C1CC[NH2+]CC1 ZINC000414784713 824036208 /nfs/dbraw/zinc/03/62/08/824036208.db2.gz KXMUSZRFZIWOAL-UHFFFAOYSA-N 1 0 389.446 4.095 20 0 GIADRO COCc1ccc(NC(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCCC2)cc1 ZINC000192574331 824036282 /nfs/dbraw/zinc/03/62/82/824036282.db2.gz YTFRLSQORZOYGO-QFIPXVFZSA-N 1 0 397.519 4.190 20 0 GIADRO COc1cc(CNC2CC[NH2+]CC2)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000414790666 824036645 /nfs/dbraw/zinc/03/66/45/824036645.db2.gz PNBRDWZXRJGTNO-UHFFFAOYSA-N 1 0 394.437 4.135 20 0 GIADRO C[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H](CC2CCCCC2)c2ccccc2)c1 ZINC000414791895 824036912 /nfs/dbraw/zinc/03/69/12/824036912.db2.gz RHLOFFWXFWBSJJ-QFIPXVFZSA-N 1 0 393.531 4.172 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cc(Br)cs1 ZINC000171013895 824037561 /nfs/dbraw/zinc/03/75/61/824037561.db2.gz XNZDFVNIQVFDSM-UHFFFAOYSA-N 1 0 381.339 4.235 20 0 GIADRO [NH3+]C[C@H](NCc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)C1CC1 ZINC000414807506 824037686 /nfs/dbraw/zinc/03/76/86/824037686.db2.gz RCOPZQITHVLVBX-SFHVURJKSA-N 1 0 378.303 4.073 20 0 GIADRO Cc1ccc(-n2nc(-c3ccco3)cc2NC(=O)C2CC[NH+](C3CC3)CC2)cc1 ZINC000192582930 824037832 /nfs/dbraw/zinc/03/78/32/824037832.db2.gz FUIGTQIBLNMHFS-UHFFFAOYSA-N 1 0 390.487 4.254 20 0 GIADRO COc1ccc(NC(=O)Nc2ccc([C@@H](C)[NH3+])cc2)cc1OCC(F)(F)F ZINC000414807717 824037992 /nfs/dbraw/zinc/03/79/92/824037992.db2.gz CYXXNSNHFPNNGA-LLVKDONJSA-N 1 0 383.370 4.300 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1cc(NC(C)=O)ccc1OC)c1ccc(C)cc1 ZINC000192586045 824038420 /nfs/dbraw/zinc/03/84/20/824038420.db2.gz GYICYNKMGPKGAR-KXBFYZLASA-N 1 0 383.492 4.030 20 0 GIADRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)Nc2nc3c(s2)COCC3)c1 ZINC000171018128 824038524 /nfs/dbraw/zinc/03/85/24/824038524.db2.gz AYZQOOUFAMLRJK-UHFFFAOYSA-N 1 0 393.512 4.100 20 0 GIADRO C[C@H]([NH3+])c1ccc(NC(=O)Nc2ccccc2C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000414813973 824038819 /nfs/dbraw/zinc/03/88/19/824038819.db2.gz NCPHYJFQURIFBX-ZACQAIPSSA-N 1 0 394.519 4.468 20 0 GIADRO CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)C2CCC2)c1 ZINC000414819368 824039123 /nfs/dbraw/zinc/03/91/23/824039123.db2.gz YNSHBSLLHUAHHC-FQEVSTJZSA-N 1 0 399.922 4.046 20 0 GIADRO c1ccc2c(c1)C[C@H]1C[N@H+](Cc3ccccc3OCc3cccnc3)CCCN21 ZINC000575962499 824039475 /nfs/dbraw/zinc/03/94/75/824039475.db2.gz IGJBEFWXOMTQIE-QHCPKHFHSA-N 1 0 385.511 4.298 20 0 GIADRO Cc1ccccc1[C@H](NC(=O)C(=O)Nc1ccc(C[NH3+])cc1)[C@H]1CCC[C@@H](C)C1 ZINC000414825231 824040080 /nfs/dbraw/zinc/04/00/80/824040080.db2.gz CAZVATNGYFROCY-GTCCEBARSA-N 1 0 393.531 4.076 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(COC)cc1 ZINC000192595302 824040898 /nfs/dbraw/zinc/04/08/98/824040898.db2.gz PFJJSNVAOOFSJK-OAQYLSRUSA-N 1 0 381.520 4.209 20 0 GIADRO Cc1ccc(-n2ncc(NC(=O)NCCC3CC[NH+](C)CC3)c2C(C)C)cc1 ZINC000575969348 824041237 /nfs/dbraw/zinc/04/12/37/824041237.db2.gz UGTDRAMXCKJVST-UHFFFAOYSA-N 1 0 383.540 4.158 20 0 GIADRO O=C(Nc1ccccc1N1CCc2ccccc21)N1CCC2(CC[NH2+]CC2)CC1 ZINC000414851348 824042117 /nfs/dbraw/zinc/04/21/17/824042117.db2.gz UCRIYBUYBJNMED-UHFFFAOYSA-N 1 0 390.531 4.378 20 0 GIADRO O=C(Nc1cccc(CNC[C@H]2CCC[NH2+]2)c1)c1ccc(Cl)cc1Cl ZINC000414852257 824042136 /nfs/dbraw/zinc/04/21/36/824042136.db2.gz VVLQUYSELUHIFW-MRXNPFEDSA-N 1 0 378.303 4.087 20 0 GIADRO C[NH2+]CCC1CCN(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2C)CC1 ZINC000414851675 824042193 /nfs/dbraw/zinc/04/21/93/824042193.db2.gz OTZJGDXJYHHFLA-UHFFFAOYSA-N 1 0 397.567 4.332 20 0 GIADRO COc1cccc([C@H](NC(=O)C2CC[NH+](C3CC3)CC2)c2ccccc2Cl)c1 ZINC000192599175 824042326 /nfs/dbraw/zinc/04/23/26/824042326.db2.gz ZXMRLUIOUWNSFA-QFIPXVFZSA-N 1 0 398.934 4.429 20 0 GIADRO CCS(=O)(=O)c1c(Cl)cccc1CNC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000414853738 824042643 /nfs/dbraw/zinc/04/26/43/824042643.db2.gz YALCCNSQBXWBPR-LJQANCHMSA-N 1 0 394.968 4.047 20 0 GIADRO Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000414854901 824042722 /nfs/dbraw/zinc/04/27/22/824042722.db2.gz VKELBFFMZMSCGY-IAGOWNOFSA-N 1 0 383.540 4.069 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)C3(c4ccccc4C)CC3)CC2)cc1 ZINC000171029722 824042872 /nfs/dbraw/zinc/04/28/72/824042872.db2.gz HRRKPRNAVGHARH-UHFFFAOYSA-N 1 0 392.543 4.064 20 0 GIADRO C[C@@H](NC(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1ccc(Br)cc1 ZINC000575981914 824043611 /nfs/dbraw/zinc/04/36/11/824043611.db2.gz IOASVOUFEAVIFB-OAHLLOKOSA-N 1 0 394.357 4.170 20 0 GIADRO CC[NH2+]Cc1cccc(NCc2c(Br)cc(OC)cc2OC)c1 ZINC000414873712 824043955 /nfs/dbraw/zinc/04/39/55/824043955.db2.gz XOEIOENOFRWNCD-UHFFFAOYSA-N 1 0 379.298 4.188 20 0 GIADRO Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCCC[NH+]1CCCC1 ZINC000192605431 824044073 /nfs/dbraw/zinc/04/40/73/824044073.db2.gz DCHZATUDAABBPH-UHFFFAOYSA-N 1 0 382.291 4.173 20 0 GIADRO Cc1cc(Br)cc(C)c1NC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000414881432 824044578 /nfs/dbraw/zinc/04/45/78/824044578.db2.gz KWPHCMIDHMKZME-QGZVFWFLSA-N 1 0 394.357 4.308 20 0 GIADRO O=C(Nc1ccc(SCC[NH+]2CCCCC2)cc1)N(CCCCO)C1CC1 ZINC000575986404 824044605 /nfs/dbraw/zinc/04/46/05/824044605.db2.gz BCUSRBDDNQFRHL-UHFFFAOYSA-N 1 0 391.581 4.033 20 0 GIADRO COc1ccc([C@H]2CC[NH2+]C[C@@H]2NCc2csc(-c3ccccc3)n2)cc1 ZINC000414881650 824044635 /nfs/dbraw/zinc/04/46/35/824044635.db2.gz LEHUKOOHNYWFKL-RTWAWAEBSA-N 1 0 379.529 4.054 20 0 GIADRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000414881255 824044671 /nfs/dbraw/zinc/04/46/71/824044671.db2.gz ADQSJABRCZKQIA-IRXDYDNUSA-N 1 0 395.507 4.278 20 0 GIADRO COc1ccc(-c2nc(C[NH2+][C@@H]3[C@H]4CCCO[C@@H]4C3(C)C)cs2)c(OC)c1 ZINC000575988911 824044688 /nfs/dbraw/zinc/04/46/88/824044688.db2.gz RZQJFCBVFPLFII-QRQLOZEOSA-N 1 0 388.533 4.121 20 0 GIADRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000414886808 824045507 /nfs/dbraw/zinc/04/55/07/824045507.db2.gz HZFNKXNAURVANM-NRFANRHFSA-N 1 0 383.496 4.134 20 0 GIADRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000414892515 824046194 /nfs/dbraw/zinc/04/61/94/824046194.db2.gz QAYQEDCWWXRGJQ-IBGZPJMESA-N 1 0 397.523 4.476 20 0 GIADRO CCCCN(C(=O)C(=O)Nc1cccc(C[NH2+]CC)c1)[C@H](C)c1ccccc1 ZINC000414891217 824046378 /nfs/dbraw/zinc/04/63/78/824046378.db2.gz WCWHSDZQSVSWPV-GOSISDBHSA-N 1 0 381.520 4.125 20 0 GIADRO Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2NCc2cccc(OCc3ccccn3)c2)cc1 ZINC000414893012 824046733 /nfs/dbraw/zinc/04/67/33/824046733.db2.gz JYBPOUHUMAWXES-ZEQRLZLVSA-N 1 0 391.490 4.035 20 0 GIADRO NC(=O)c1cccc(CC[NH2+][C@H](C(=O)c2c[nH]c3ccccc32)c2ccccc2)c1 ZINC000171047539 824046887 /nfs/dbraw/zinc/04/68/87/824046887.db2.gz GPSGQJBDSYSBDK-QHCPKHFHSA-N 1 0 397.478 4.023 20 0 GIADRO Clc1cc(Cl)c2c(c1)C=C(C[NH2+]Cc1cccnc1-n1ccnc1)CO2 ZINC000171049748 824047299 /nfs/dbraw/zinc/04/72/99/824047299.db2.gz YSEHYHAKAJWSTN-UHFFFAOYSA-N 1 0 387.270 4.140 20 0 GIADRO Clc1cccc(Cl)c1CCC[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000192623301 824048119 /nfs/dbraw/zinc/04/81/19/824048119.db2.gz WTBGGNZUAQVXPE-CQSZACIVSA-N 1 0 379.335 4.343 20 0 GIADRO C[NH+](C)C1CCN(C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)CC1 ZINC000192625698 824049262 /nfs/dbraw/zinc/04/92/62/824049262.db2.gz UYNREVGMIHEQML-UHFFFAOYSA-N 1 0 394.235 4.026 20 0 GIADRO CCCOc1c(Br)cc(CNc2ccc(C[NH3+])cc2)cc1OC ZINC000414917859 824049995 /nfs/dbraw/zinc/04/99/95/824049995.db2.gz XHRFEKSHYMOXNS-UHFFFAOYSA-N 1 0 379.298 4.317 20 0 GIADRO CCC(CC)(CN[C@H](c1nc[nH]n1)c1ccccc1)[NH2+][C@@H](C)c1ccccc1 ZINC000576023559 824051799 /nfs/dbraw/zinc/05/17/99/824051799.db2.gz VJWGQXDQFVYQOL-RXVVDRJESA-N 1 0 377.536 4.393 20 0 GIADRO O=C(CC[NH2+]Cc1ccccc1OCC(F)(F)F)Nc1cccc(Cl)c1 ZINC000576023840 824051839 /nfs/dbraw/zinc/05/18/39/824051839.db2.gz RJEVYRUOIMEEGL-UHFFFAOYSA-N 1 0 386.801 4.400 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCCS3)n2Cc2ccccc2)C1 ZINC000576027405 824052777 /nfs/dbraw/zinc/05/27/77/824052777.db2.gz FPZKUYBIBPFFJD-VQTJNVASSA-N 1 0 399.608 4.063 20 0 GIADRO COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]Cc2cc(C)cc(N)c2)c1 ZINC000414957528 824053599 /nfs/dbraw/zinc/05/35/99/824053599.db2.gz CBIYPKZTYHNPDE-UHFFFAOYSA-N 1 0 378.520 4.494 20 0 GIADRO CCOCCOc1ccc(Br)cc1C[NH2+]Cc1cc(C)cc(N)c1 ZINC000414956505 824053722 /nfs/dbraw/zinc/05/37/22/824053722.db2.gz ANXHDJQRPMOGPU-UHFFFAOYSA-N 1 0 393.325 4.045 20 0 GIADRO C[C@H](c1ccc(F)cc1)[NH+]1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)CC1 ZINC000171065445 824053802 /nfs/dbraw/zinc/05/38/02/824053802.db2.gz XCHOWVYJZSCRCO-CABCVRRESA-N 1 0 396.462 4.201 20 0 GIADRO C[C@@H](c1ccccc1F)[NH+]1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1 ZINC000171065739 824053931 /nfs/dbraw/zinc/05/39/31/824053931.db2.gz QKKHWUYROBJHHO-LSDHHAIUSA-N 1 0 396.462 4.201 20 0 GIADRO Cc1ccccc1[C@H]([NH2+][C@@H]1CCCc2ccc(S(N)(=O)=O)cc21)C(C)(C)C ZINC000576032284 824054401 /nfs/dbraw/zinc/05/44/01/824054401.db2.gz DPBLQCOJMNCRRS-RTWAWAEBSA-N 1 0 386.561 4.397 20 0 GIADRO CCCOc1c(Br)cc(C[NH2+]Cc2cc(C)cc(N)c2)cc1OC ZINC000414965214 824054764 /nfs/dbraw/zinc/05/47/64/824054764.db2.gz NGRZUOVBOUQVNN-UHFFFAOYSA-N 1 0 393.325 4.427 20 0 GIADRO COc1cccc(Oc2ccc(NC(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)cc2)c1 ZINC000414968038 824055522 /nfs/dbraw/zinc/05/55/22/824055522.db2.gz FJDGRQPJOAHPAI-RVHYNSKXSA-N 1 0 381.476 4.079 20 0 GIADRO c1ccc(COc2ccc(CN3CC[NH+](CCc4ccccn4)CC3)cc2)cc1 ZINC000090751684 209237740 /nfs/dbraw/zinc/23/77/40/209237740.db2.gz ZXDJLDJIRAFZMX-UHFFFAOYSA-N 1 0 387.527 4.021 20 0 GIADRO CCOc1cccc(C[NH2+][C@H]2CCC(=O)Nc3ccc(F)cc32)c1OC(F)F ZINC000359993596 209211772 /nfs/dbraw/zinc/21/17/72/209211772.db2.gz KZKHKZLIGAPQKJ-HNNXBMFYSA-N 1 0 394.393 4.389 20 0 GIADRO COc1ccc([C@H](O)[C@H]2CCC[N@@H+]2Cc2nnc(-c3ccccc3Cl)o2)cc1 ZINC000359978594 209208804 /nfs/dbraw/zinc/20/88/04/209208804.db2.gz OKXZBWPTVSDXCS-QUCCMNQESA-N 1 0 399.878 4.097 20 0 GIADRO CC(C)[NH+]1CCN(c2ccc(C(=O)N(C3CC3)C3CCC(C)CC3)cc2)CC1 ZINC000109488922 535203929 /nfs/dbraw/zinc/20/39/29/535203929.db2.gz NIJLFJNEMOCELO-UHFFFAOYSA-N 1 0 383.580 4.400 20 0 GIADRO Cc1cc(Cl)ncc1C(F)(F)N1CCC2(CC[NH2+]CC2)[C@@H]1C(F)(F)F ZINC001164386922 718814612 /nfs/dbraw/zinc/81/46/12/718814612.db2.gz BYRYAYJSVYUJJH-CYBMUJFWSA-N 1 0 383.792 4.099 20 0 GIADRO FC(F)(c1ccc2nc(Cl)cnc2c1)N1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001164417441 718891920 /nfs/dbraw/zinc/89/19/20/718891920.db2.gz JZPKBUMZYRSOAL-QGZVFWFLSA-N 1 0 380.870 4.187 20 0 GIADRO CSc1ccc(C(F)(F)N2CCCC[C@H]2C2CC[NH2+]CC2)nc1Cl ZINC001164421878 718892259 /nfs/dbraw/zinc/89/22/59/718892259.db2.gz YVBXDZYDIYPNRF-ZDUSSCGKSA-N 1 0 375.916 4.360 20 0 GIADRO FC(F)(c1nc2ccccc2nc1Cl)N1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001164417449 718892743 /nfs/dbraw/zinc/89/27/43/718892743.db2.gz KHCYBFDENUGYGF-MRXNPFEDSA-N 1 0 380.870 4.187 20 0 GIADRO CC(C)c1ccc(-c2cc(C(F)(F)N3CC[C@@H]4C[C@]4([NH3+])C3)c(Cl)nn2)cc1 ZINC001164420086 718897302 /nfs/dbraw/zinc/89/73/02/718897302.db2.gz KBFYERCQAVREQH-BEFAXECRSA-N 1 0 392.881 4.393 20 0 GIADRO F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CCCCC12CC[NH2+]CC2 ZINC001164422210 718912107 /nfs/dbraw/zinc/91/21/07/718912107.db2.gz XFFYLRWGQJSDDC-IBGZPJMESA-N 1 0 390.890 4.037 20 0 GIADRO Fc1ccc(C(F)(F)N2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)nc1Cl ZINC001164627529 719044344 /nfs/dbraw/zinc/04/43/44/719044344.db2.gz VTMLETFOMHCUHX-KDOFPFPSSA-N 1 0 381.829 4.003 20 0 GIADRO Cc1ccc(C(F)(F)N2CC[C@]3(C[NH2+]C[C@H]3c3ccccc3)C2)nc1Cl ZINC001164618314 719046422 /nfs/dbraw/zinc/04/64/22/719046422.db2.gz AMGKIRHGQFUZMQ-LPHOPBHVSA-N 1 0 377.866 4.172 20 0 GIADRO Cc1nc2cc(F)ccc2c(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164624354 719068231 /nfs/dbraw/zinc/06/82/31/719068231.db2.gz LJTRQUSBMJCDFM-PGRDOPGGSA-N 1 0 376.479 4.178 20 0 GIADRO Cc1c[nH]c2nc(Cl)nc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)c12 ZINC001164625921 719070256 /nfs/dbraw/zinc/07/02/56/719070256.db2.gz NTGHREHBQDFJMK-DLBZAZTESA-N 1 0 381.911 4.021 20 0 GIADRO Cc1cc(C(F)(F)N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc(Cl)n1 ZINC001164629914 719070814 /nfs/dbraw/zinc/07/08/14/719070814.db2.gz ZYGVZAHCVKWQOX-DLBZAZTESA-N 1 0 392.881 4.084 20 0 GIADRO Cc1cc(C(F)(F)N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc(Cl)n1 ZINC001164629916 719071334 /nfs/dbraw/zinc/07/13/34/719071334.db2.gz ZYGVZAHCVKWQOX-IAGOWNOFSA-N 1 0 392.881 4.084 20 0 GIADRO Cc1cc(C(F)(F)N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c(Cl)nn1 ZINC001164622662 719099526 /nfs/dbraw/zinc/09/95/26/719099526.db2.gz CFKCLHCEYQNIMU-FUHWJXTLSA-N 1 0 392.881 4.084 20 0 GIADRO c1ccc(C[N@H+]2C[C@@H]3CCCN(c4ccc(COC5CCC5)cn4)[C@@H]3C2)cc1 ZINC001164628984 719108761 /nfs/dbraw/zinc/10/87/61/719108761.db2.gz PJTRRPFZPFQKMK-JTHBVZDNSA-N 1 0 377.532 4.252 20 0 GIADRO c1cc(-c2ccc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)nn2)cs1 ZINC001164630074 719108926 /nfs/dbraw/zinc/10/89/26/719108926.db2.gz UWPRJAGCQPNDEM-NQIIRXRSSA-N 1 0 376.529 4.306 20 0 GIADRO c1ccc(C[N@H+]2C[C@H]3CCCN(c4ccc(COC5CCC5)cn4)[C@H]3C2)cc1 ZINC001164628982 719109220 /nfs/dbraw/zinc/10/92/20/719109220.db2.gz PJTRRPFZPFQKMK-GGAORHGYSA-N 1 0 377.532 4.252 20 0 GIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(C)c3ccc(Cl)cc3n1)C2 ZINC001164815875 720140375 /nfs/dbraw/zinc/14/03/75/720140375.db2.gz WRMRUKJHIYYAGM-MBSDFSHPSA-N 1 0 399.966 4.381 20 0 GIADRO CC(C)c1cc2c(ncnc2N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)s1 ZINC001164722139 720330450 /nfs/dbraw/zinc/33/04/50/720330450.db2.gz FENQXTYLNCCHGO-ROUUACIJSA-N 1 0 379.533 4.063 20 0 GIADRO Fc1ccc2cc(Cl)nc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c2c1 ZINC001164724183 720357769 /nfs/dbraw/zinc/35/77/69/720357769.db2.gz JSVRGIALJZRIQN-MOPGFXCFSA-N 1 0 382.870 4.276 20 0 GIADRO Cc1ccc2c(c1)cc(Cl)nc2N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164727733 720415126 /nfs/dbraw/zinc/41/51/26/720415126.db2.gz FAYMGVOTKNWQLM-PMACEKPBSA-N 1 0 378.907 4.445 20 0 GIADRO Clc1cccc(-c2ccc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)nn2)c1 ZINC001164734388 720442978 /nfs/dbraw/zinc/44/29/78/720442978.db2.gz RTUJIRANAAXDBP-NHCUHLMSSA-N 1 0 391.906 4.045 20 0 GIADRO Fc1cc2ccnc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c2cc1Cl ZINC001164727483 720470227 /nfs/dbraw/zinc/47/02/27/720470227.db2.gz NCNVLIYHFDRPBN-UXHICEINSA-N 1 0 382.870 4.276 20 0 GIADRO Cc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc2ccccc12 ZINC001164843060 720539484 /nfs/dbraw/zinc/53/94/84/720539484.db2.gz ZUEHJIYPADYXEG-MIZPHKNDSA-N 1 0 389.547 4.118 20 0 GIADRO CSc1cc(Cl)ncc1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164857061 720950803 /nfs/dbraw/zinc/95/08/03/720950803.db2.gz GIVGTRREANNLLU-ZDUSSCGKSA-N 1 0 379.961 4.075 20 0 GIADRO CC(C)c1ccc2ncnc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@@H]3C)c2c1 ZINC001164857234 721005830 /nfs/dbraw/zinc/00/58/30/721005830.db2.gz FBUKEPYKXQLTMO-KRWDZBQOSA-N 1 0 392.551 4.371 20 0 GIADRO Cc1cc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)nc(-c2ccsc2)n1 ZINC001164861701 721011153 /nfs/dbraw/zinc/01/11/53/721011153.db2.gz PGZFJNRHRWFPCR-INIZCTEOSA-N 1 0 396.564 4.131 20 0 GIADRO CSc1ccnc(N2CCC3(CC2)CC[NH+](Cc2ccc(C)cc2)CC3)n1 ZINC001164759473 721042460 /nfs/dbraw/zinc/04/24/60/721042460.db2.gz MXLFQTRIIZKIQS-UHFFFAOYSA-N 1 0 382.577 4.390 20 0 GIADRO c1ccc([C@@H]2CO[C@@]3(C2)CCCN(c2ccc(C[NH+]4CCCC4)cn2)C3)cc1 ZINC001164769655 721060510 /nfs/dbraw/zinc/06/05/10/721060510.db2.gz JSRUHJCKXGAAIU-LADGPHEKSA-N 1 0 377.532 4.221 20 0 GIADRO FC(F)(c1cccc2ccnc(Cl)c21)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001164772141 721292073 /nfs/dbraw/zinc/29/20/73/721292073.db2.gz FMSWPKRAUUTBLL-UHFFFAOYSA-N 1 0 377.866 4.355 20 0 GIADRO Cc1nc(C(C)C)cc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164792893 721490578 /nfs/dbraw/zinc/49/05/78/721490578.db2.gz NLKFREDILIZXEQ-UHFFFAOYSA-N 1 0 379.552 4.184 20 0 GIADRO COc1cc(Cl)nc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c1 ZINC001164792628 721493862 /nfs/dbraw/zinc/49/38/62/721493862.db2.gz SQOPORJQTGSZCH-UHFFFAOYSA-N 1 0 386.927 4.020 20 0 GIADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)cc(C3CC3)n1)CC2 ZINC001164792233 721496218 /nfs/dbraw/zinc/49/62/18/721496218.db2.gz KXYSJZZEFSAXQB-UHFFFAOYSA-N 1 0 397.954 4.283 20 0 GIADRO Cc1cccc2ccnc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c12 ZINC001164906516 721561014 /nfs/dbraw/zinc/56/10/14/721561014.db2.gz JRVUNEHZCKBGNQ-CTNGQTDRSA-N 1 0 377.463 4.024 20 0 GIADRO FC1(F)CCN(c2ccc3ccccc3n2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164903969 721583973 /nfs/dbraw/zinc/58/39/73/721583973.db2.gz PNFDEEDIKIRJAQ-QFIPXVFZSA-N 1 0 394.469 4.368 20 0 GIADRO Cc1cnc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c(Cl)c1 ZINC001164907926 721586293 /nfs/dbraw/zinc/58/62/93/721586293.db2.gz WPKVYCLHBOCUFQ-IBGZPJMESA-N 1 0 392.881 4.176 20 0 GIADRO Cc1cnc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c(Cl)c1 ZINC001164907928 721586514 /nfs/dbraw/zinc/58/65/14/721586514.db2.gz WPKVYCLHBOCUFQ-LJQANCHMSA-N 1 0 392.881 4.176 20 0 GIADRO Cc1cc2c(ncnc2N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)s1 ZINC001165023334 721798693 /nfs/dbraw/zinc/79/86/93/721798693.db2.gz JNEUQKSFGRDQAT-PWIZWCRZSA-N 1 0 393.560 4.132 20 0 GIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccnc(-c4ccccc4)n3)C[C@H]21 ZINC001165028133 721803896 /nfs/dbraw/zinc/80/38/96/721803896.db2.gz YPNWGCPALSTQCZ-YMPZKCBVSA-N 1 0 399.542 4.276 20 0 GIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nccc4ccsc43)C[C@@H]21 ZINC001165026935 721807561 /nfs/dbraw/zinc/80/75/61/721807561.db2.gz SPCWGFXANYVCBQ-YZGWKJHDSA-N 1 0 378.545 4.428 20 0 GIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4c(n3)CCCC4)C[C@H]21 ZINC001165026471 721809106 /nfs/dbraw/zinc/80/91/06/721809106.db2.gz QSGYZFKGTJPADI-KJXAQDMKSA-N 1 0 376.548 4.092 20 0 GIADRO Cc1cc2cccnc2c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165023064 721828521 /nfs/dbraw/zinc/82/85/21/721828521.db2.gz HJVBTSUXAXDYNZ-ILWGZMRPSA-N 1 0 387.531 4.070 20 0 GIADRO CCSc1ccnc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165021399 721829234 /nfs/dbraw/zinc/82/92/34/721829234.db2.gz FIFFIDWLQDWICF-DZFGPLHGSA-N 1 0 382.577 4.326 20 0 GIADRO FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1CC[NH+](C2CCCC2)CC1 ZINC001165031597 721861568 /nfs/dbraw/zinc/86/15/68/721861568.db2.gz DIKGWARLRZSZFY-UHFFFAOYSA-N 1 0 392.881 4.407 20 0 GIADRO C[NH+](C)[C@H]1CCCN(C(F)(F)c2cc(-c3cccc(F)c3)nnc2Cl)C1 ZINC001165039428 721899514 /nfs/dbraw/zinc/89/95/14/721899514.db2.gz WYQBOMFJRPBSCT-AWEZNQCLSA-N 1 0 384.833 4.011 20 0 GIADRO C[NH+](C)[C@@H]1CCCN(C(F)(F)c2cc(-c3cccc(F)c3)nnc2Cl)C1 ZINC001165039430 721899618 /nfs/dbraw/zinc/89/96/18/721899618.db2.gz WYQBOMFJRPBSCT-CQSZACIVSA-N 1 0 384.833 4.011 20 0 GIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ncc(Cl)cc4F)CC3)C2)cc1 ZINC001164937301 721921194 /nfs/dbraw/zinc/92/11/94/721921194.db2.gz BEPMRXPKXANYPZ-UHFFFAOYSA-N 1 0 389.902 4.054 20 0 GIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ncc(F)cc4Cl)CC3)C2)cc1 ZINC001164939388 721924521 /nfs/dbraw/zinc/92/45/21/721924521.db2.gz LGVXQMZINUMCFG-UHFFFAOYSA-N 1 0 389.902 4.054 20 0 GIADRO CN(CC1CC[NH+](C)CC1)C(F)(F)c1cc(-c2cccc(F)c2)nnc1Cl ZINC001165045124 721939441 /nfs/dbraw/zinc/93/94/41/721939441.db2.gz UODUJTGVZSODMU-UHFFFAOYSA-N 1 0 398.860 4.259 20 0 GIADRO COc1ccc(-c2ccc(N3CCCC[C@H]3CC[NH+]3CCCC3)nn2)c(OC)c1 ZINC001165048835 721977072 /nfs/dbraw/zinc/97/70/72/721977072.db2.gz LQSGAPKNZOFLTG-SFHVURJKSA-N 1 0 396.535 4.006 20 0 GIADRO CC[NH+](CC)C1CCN(C(F)(F)Oc2ccc3c(Cl)ncnc3c2)CC1 ZINC001165052780 722004541 /nfs/dbraw/zinc/00/45/41/722004541.db2.gz BARGFUBSMJQMRY-UHFFFAOYSA-N 1 0 384.858 4.019 20 0 GIADRO CC[NH+](CC)C1CCN(c2c(Cl)nnc(Cl)c2N2CCCCC2)CC1 ZINC001165054059 722008206 /nfs/dbraw/zinc/00/82/06/722008206.db2.gz HOBXAOIIFSOBFP-UHFFFAOYSA-N 1 0 386.371 4.084 20 0 GIADRO Clc1ncnc2scc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)c21 ZINC001164953076 722016102 /nfs/dbraw/zinc/01/61/02/722016102.db2.gz RIEQRMKHJMYSOB-UHFFFAOYSA-N 1 0 399.951 4.232 20 0 GIADRO CC(C)(C)Oc1cccc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164955700 722018866 /nfs/dbraw/zinc/01/88/66/722018866.db2.gz NSNHIHRAZRTZSK-UHFFFAOYSA-N 1 0 380.536 4.146 20 0 GIADRO CSc1cc(Cl)cnc1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164956171 722021224 /nfs/dbraw/zinc/02/12/24/722021224.db2.gz XKSYLBSESZHHJW-UHFFFAOYSA-N 1 0 388.968 4.344 20 0 GIADRO c1csc(-c2cc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)ncn2)c1 ZINC001164955239 722022417 /nfs/dbraw/zinc/02/24/17/722022417.db2.gz BIIJHLOELYCKOR-UHFFFAOYSA-N 1 0 391.544 4.093 20 0 GIADRO COc1cccc2c1ccnc2N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164955694 722023093 /nfs/dbraw/zinc/02/30/93/722023093.db2.gz NNRWIQAKUGYGDT-UHFFFAOYSA-N 1 0 388.515 4.131 20 0 GIADRO CCc1cc2c(ccnc2N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)o1 ZINC001164957977 722024414 /nfs/dbraw/zinc/02/44/14/722024414.db2.gz CPCAACDBUCOIHD-UHFFFAOYSA-N 1 0 376.504 4.278 20 0 GIADRO c1cc(N2CCC[C@]3(C[C@H](OCC4CCCC4)CO3)C2)ncc1C[NH+]1CCCC1 ZINC001164973498 722165896 /nfs/dbraw/zinc/16/58/96/722165896.db2.gz BNQZKWYQQQKNJW-UPVQGACJSA-N 1 0 399.579 4.012 20 0 GIADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2nc(Cl)nc4ncccc42)C3)c1 ZINC001164995238 722194428 /nfs/dbraw/zinc/19/44/28/722194428.db2.gz SVANHGALISZBRB-OAQYLSRUSA-N 1 0 397.885 4.062 20 0 GIADRO COc1c(Br)cccc1C[NH2+]CC1([C@H](O)c2ccccc2)CC1 ZINC000187334259 823045030 /nfs/dbraw/zinc/04/50/30/823045030.db2.gz STRCUSQSNMFKDH-GOSISDBHSA-N 1 0 376.294 4.061 20 0 GIADRO CCOCc1cccc(NC(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000175808394 823045268 /nfs/dbraw/zinc/04/52/68/823045268.db2.gz QPQXQAPILISXRK-QFIPXVFZSA-N 1 0 381.520 4.351 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH2+][C@H](C)C[C@@H](O)c1ccc(F)cc1 ZINC000187345680 823046852 /nfs/dbraw/zinc/04/68/52/823046852.db2.gz RDBGVQUAXGTFSX-OPAMFIHVSA-N 1 0 380.463 4.498 20 0 GIADRO Cc1ccccc1NC(=O)CC[N@H+]1CCCC[C@H]1c1nc2ccccc2n1C ZINC000570506652 823047614 /nfs/dbraw/zinc/04/76/14/823047614.db2.gz FMMAJOTUDGLEJL-NRFANRHFSA-N 1 0 376.504 4.438 20 0 GIADRO Clc1ccc(-n2cc(N[C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)cn2)cc1 ZINC000570507657 823047868 /nfs/dbraw/zinc/04/78/68/823047868.db2.gz YZILPVCXOVYPEH-TZIWHRDSSA-N 1 0 380.879 4.194 20 0 GIADRO CCC(CC)[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2S(=O)(=O)CC)CCO1 ZINC000187355366 823048422 /nfs/dbraw/zinc/04/84/22/823048422.db2.gz ULAXGOQKFLILCD-SJLPKXTDSA-N 1 0 387.973 4.207 20 0 GIADRO OC[C@@H](N[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1cccc(Cl)c1F ZINC000570514902 823048564 /nfs/dbraw/zinc/04/85/64/823048564.db2.gz XTWWEIIPHVXUKF-FXAWDEMLSA-N 1 0 388.914 4.299 20 0 GIADRO COc1c(Br)cccc1CN[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000187357039 823048773 /nfs/dbraw/zinc/04/87/73/823048773.db2.gz OYGLLODBWARIKQ-HOCLYGCPSA-N 1 0 381.358 4.200 20 0 GIADRO Cc1csc([C@@H](NC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)C2CC2)n1 ZINC000175825283 823048808 /nfs/dbraw/zinc/04/88/08/823048808.db2.gz WHBGFRFGWDNMLC-QUCCMNQESA-N 1 0 398.576 4.066 20 0 GIADRO COc1ccc(-c2ccncc2)cc1CN[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000187356976 823048922 /nfs/dbraw/zinc/04/89/22/823048922.db2.gz GSTVWWGNAIZDLL-NQIIRXRSSA-N 1 0 379.548 4.500 20 0 GIADRO CC(C)OCC[NH+]1CCC(NC(=O)N2CC3(CCCC3)[C@H]2c2ccccc2)CC1 ZINC000458516639 823049916 /nfs/dbraw/zinc/04/99/16/823049916.db2.gz ZISRGHASDMTFOM-JOCHJYFZSA-N 1 0 399.579 4.203 20 0 GIADRO Cc1ccc([C@@H](C)NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)cc1F ZINC000458520740 823050451 /nfs/dbraw/zinc/05/04/51/823050451.db2.gz KQQJPAASTZAYKO-CQSZACIVSA-N 1 0 389.437 4.253 20 0 GIADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CCC(OCC2CCCC2)CC1 ZINC000175836780 823051503 /nfs/dbraw/zinc/05/15/03/823051503.db2.gz GWOKJCJGKCWOPR-UHFFFAOYSA-N 1 0 391.600 4.164 20 0 GIADRO CSc1cc(C)ccc1CNC(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000458530078 823051533 /nfs/dbraw/zinc/05/15/33/823051533.db2.gz HVVWTAODEHRFCA-UHFFFAOYSA-N 1 0 377.579 4.052 20 0 GIADRO CCCC[N@H+](CC)Cc1cccc(CNC(=O)N[C@H]2C[C@H](C)n3ccnc32)c1 ZINC000458536503 823052226 /nfs/dbraw/zinc/05/22/26/823052226.db2.gz GMOMWOAUAJHZLI-PXNSSMCTSA-N 1 0 383.540 4.010 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)NC[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000458538859 823052643 /nfs/dbraw/zinc/05/26/43/823052643.db2.gz UZDGUKCWJRBUCC-GOEBONIOSA-N 1 0 391.503 4.190 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)Cc3nc(-c4ccccc4)no3)C2)s1 ZINC000570553801 823053632 /nfs/dbraw/zinc/05/36/32/823053632.db2.gz OTVRGJCTNTXRBP-KRWDZBQOSA-N 1 0 382.533 4.060 20 0 GIADRO Cc1ccc(OCc2nc(C[NH2+]CCc3nn(C)c4ccccc34)cs2)cc1 ZINC000187384961 823053718 /nfs/dbraw/zinc/05/37/18/823053718.db2.gz CTQKPZYBEGKOOJ-UHFFFAOYSA-N 1 0 392.528 4.250 20 0 GIADRO CCc1nocc1CN(C)C(=O)NC[C@@H](CC(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000458555931 823055505 /nfs/dbraw/zinc/05/55/05/823055505.db2.gz MHMKRILVIBIZRG-YLJYHZDGSA-N 1 0 386.540 4.144 20 0 GIADRO O=C(Nc1ccc(Br)cc1Cl)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000175865666 823058926 /nfs/dbraw/zinc/05/89/26/823058926.db2.gz VXVRZBULBJQKHD-GFCCVEGCSA-N 1 0 386.721 4.052 20 0 GIADRO COc1ccc(OC)c(CCC[NH2+][C@H](C)c2ncc(Br)cc2F)c1 ZINC000187403437 823056596 /nfs/dbraw/zinc/05/65/96/823056596.db2.gz GWWIRBDRCYOPTM-GFCCVEGCSA-N 1 0 397.288 4.284 20 0 GIADRO Cc1cccc(CN(C)C(=O)NC[C@@H](CC(C)C)[NH2+][C@@H](C)c2ccccc2)n1 ZINC000458563498 823056735 /nfs/dbraw/zinc/05/67/35/823056735.db2.gz SIWPCILFNVVDGR-SIKLNZKXSA-N 1 0 382.552 4.297 20 0 GIADRO CC1CC[NH+](C2CCC(NC(=O)N(C)Cc3c(F)cccc3F)CC2)CC1 ZINC000458568594 823057412 /nfs/dbraw/zinc/05/74/12/823057412.db2.gz KVAYGYMCZJYAHF-UHFFFAOYSA-N 1 0 379.495 4.149 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[C@@](F)(c3ccccc3)C2)CC1 ZINC000570584608 823057472 /nfs/dbraw/zinc/05/74/72/823057472.db2.gz KDLWIVSUUVKIBZ-CYFREDJKSA-N 1 0 395.522 4.492 20 0 GIADRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)Nc2ccc(Sc3nc(C)cs3)cc2)C1(C)C ZINC000187408442 823057645 /nfs/dbraw/zinc/05/76/45/823057645.db2.gz AAGRRTFHXBGRBB-DNVCBOLYSA-N 1 0 391.562 4.074 20 0 GIADRO Cc1cccnc1[C@H]([NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)C(C)C ZINC000120762222 823058998 /nfs/dbraw/zinc/05/89/98/823058998.db2.gz KSQLGDOWMGHPJK-RHSMWYFYSA-N 1 0 383.319 4.423 20 0 GIADRO CC(C)Oc1ccc2ccccc2c1CNC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000570618149 823063042 /nfs/dbraw/zinc/06/30/42/823063042.db2.gz WJHUDPQETHQOGV-UXHICEINSA-N 1 0 395.547 4.158 20 0 GIADRO CC1CC[NH+](C2CCC(NC(=O)NC[C@H]3CSc4ccccc43)CC2)CC1 ZINC000458585574 823059599 /nfs/dbraw/zinc/05/95/99/823059599.db2.gz VUFRHWQVLREZPL-VIQWUECVSA-N 1 0 387.593 4.218 20 0 GIADRO Cc1ccc(NC(=O)N(CC[NH+](C)C)Cc2cccs2)c(Br)c1 ZINC000175870289 823060022 /nfs/dbraw/zinc/06/00/22/823060022.db2.gz UYUWQHBOKSIUPH-UHFFFAOYSA-N 1 0 396.354 4.415 20 0 GIADRO 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 ZINC000458590039 823060358 /nfs/dbraw/zinc/06/03/58/823060358.db2.gz XBUPRNBBMQWLSP-YVSFHVDLSA-N 1 0 377.495 4.115 20 0 GIADRO COc1ccc2nc(C[NH2+][C@H](C)c3ccc(N4CCOC4=O)cc3)sc2c1 ZINC000187421985 823060753 /nfs/dbraw/zinc/06/07/53/823060753.db2.gz VITVTLCZRYUBNH-CYBMUJFWSA-N 1 0 383.473 4.112 20 0 GIADRO COC[C@H]([NH2+]CCCCn1cc(Br)cn1)c1cccc(Cl)c1 ZINC000570608510 823061675 /nfs/dbraw/zinc/06/16/75/823061675.db2.gz YPWWARMVBBVZIV-INIZCTEOSA-N 1 0 386.721 4.057 20 0 GIADRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CCC[C@H]1c1cccc(Br)c1 ZINC000570613509 823062265 /nfs/dbraw/zinc/06/22/65/823062265.db2.gz WZZZILCEKKMDMS-PBHICJAKSA-N 1 0 382.346 4.024 20 0 GIADRO CCOc1ccc([C@H]2CCC[N@@H+]2CCC(=O)N2CCc3sccc3C2)cc1 ZINC000055899727 823063594 /nfs/dbraw/zinc/06/35/94/823063594.db2.gz VGTKUAGAGMMPLI-HXUWFJFHSA-N 1 0 384.545 4.259 20 0 GIADRO COc1ccc2cc(C[N@H+](C)CCC(=O)N3CCc4sccc4C3)ccc2c1 ZINC000055899623 823063683 /nfs/dbraw/zinc/06/36/83/823063683.db2.gz LTMBVYSAINGDIU-UHFFFAOYSA-N 1 0 394.540 4.317 20 0 GIADRO CCC(CC)c1nnc(NC(=O)N(CC[NH+](C)C)Cc2cccs2)s1 ZINC000175886512 823063758 /nfs/dbraw/zinc/06/37/58/823063758.db2.gz SUDPOLVFBZSKKL-UHFFFAOYSA-N 1 0 381.571 4.099 20 0 GIADRO Cc1ccc(SC2(C(=O)NCCC[NH2+]Cc3cccnc3)CCCC2)cc1 ZINC000120788321 823064157 /nfs/dbraw/zinc/06/41/57/823064157.db2.gz RLSKZZSSEZEAIV-UHFFFAOYSA-N 1 0 383.561 4.091 20 0 GIADRO Cc1ccc(SCc2nnc(N3CC[C@@H]([NH+]4CCCC4)C3)n2C(C)C)cc1 ZINC000570655196 823067668 /nfs/dbraw/zinc/06/76/68/823067668.db2.gz XXMARXKUJDNWJB-GOSISDBHSA-N 1 0 385.581 4.134 20 0 GIADRO C[C@H](NC(=O)N1CC[C@H](C(F)(F)F)C[C@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000458634401 823067718 /nfs/dbraw/zinc/06/77/18/823067718.db2.gz QAXCERMOFLIBNT-QXSJWSMHSA-N 1 0 375.479 4.012 20 0 GIADRO O=C(Nc1c(F)cccc1Cl)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000570630197 823064419 /nfs/dbraw/zinc/06/44/19/823064419.db2.gz PEZPZCJATCNSBO-IAGOWNOFSA-N 1 0 387.886 4.465 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(-c3ccccc3)nn2C(C)C)[C@H](C)C1 ZINC000120789117 823064417 /nfs/dbraw/zinc/06/44/17/823064417.db2.gz JVPOZHQPODJTRW-XLIONFOSSA-N 1 0 383.540 4.325 20 0 GIADRO CN(C(=O)NCC1(C)CCCCCC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458622219 823065115 /nfs/dbraw/zinc/06/51/15/823065115.db2.gz PCRUWOOYLKFJIN-UHFFFAOYSA-N 1 0 377.495 4.405 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)Nc2cccc(CSc3ccccn3)c2)CC[N@@H+]1C ZINC000175893243 823065264 /nfs/dbraw/zinc/06/52/64/823065264.db2.gz CNLDRCRZUGIEQE-VQIMIIECSA-N 1 0 384.549 4.320 20 0 GIADRO O=C(C[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1)Nc1ccccc1OC(F)F ZINC000055908668 823065855 /nfs/dbraw/zinc/06/58/55/823065855.db2.gz KZTQXDIEFNNZBG-INIZCTEOSA-N 1 0 378.394 4.073 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)N1CCC([C@@H]2CCCO2)CC1 ZINC000187461600 823067849 /nfs/dbraw/zinc/06/78/49/823067849.db2.gz BNUXYAJVVLJKQL-QHCPKHFHSA-N 1 0 399.579 4.163 20 0 GIADRO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2cc(=O)n3cc(Br)ccc3n2)c1 ZINC000055910978 823066150 /nfs/dbraw/zinc/06/61/50/823066150.db2.gz XZHKEBFSWLFOGG-SFHVURJKSA-N 1 0 398.304 4.103 20 0 GIADRO CCN(C(=O)C1CC[NH+]([C@H]2CCSC2)CC1)c1ccc(Br)cc1 ZINC000570643157 823066154 /nfs/dbraw/zinc/06/61/54/823066154.db2.gz NUNCPFIAVLBXNQ-KRWDZBQOSA-N 1 0 397.382 4.020 20 0 GIADRO C[C@H](NC(=O)N1CCc2cccc(Cl)c2C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000458629247 823066471 /nfs/dbraw/zinc/06/64/71/823066471.db2.gz IWSTVLXYXANNPJ-DOTOQJQBSA-N 1 0 375.944 4.061 20 0 GIADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2cc(F)c(Cl)cc2Cl)cc1 ZINC000570646809 823066480 /nfs/dbraw/zinc/06/64/80/823066480.db2.gz GOPZKHMLRPZKEA-QGZVFWFLSA-N 1 0 385.266 4.174 20 0 GIADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@@H](C)c1c(Cl)cccc1Cl ZINC000175900121 823067232 /nfs/dbraw/zinc/06/72/32/823067232.db2.gz RREIXFFQGXJANX-ACJLOTCBSA-N 1 0 387.351 4.006 20 0 GIADRO C[C@@H](N[C@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000120808611 823068470 /nfs/dbraw/zinc/06/84/70/823068470.db2.gz BIQJCIHWTQRCJO-WZONZLPQSA-N 1 0 392.547 4.458 20 0 GIADRO COc1cccc([C@H]2C[C@H](N(C)C(=O)N[C@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)C2)c1 ZINC000458646048 823069078 /nfs/dbraw/zinc/06/90/78/823069078.db2.gz YRUYZZTUEYBFSS-JWUVWSEFSA-N 1 0 399.579 4.236 20 0 GIADRO O[C@H](C[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1)c1ccc(F)cc1Cl ZINC000187469778 823069083 /nfs/dbraw/zinc/06/90/83/823069083.db2.gz HGHHNBZAASQZIP-SWLSCSKDSA-N 1 0 391.796 4.065 20 0 GIADRO O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000175906944 823069287 /nfs/dbraw/zinc/06/92/87/823069287.db2.gz AIPYUQPLWFIFRT-GMAHTHKFSA-N 1 0 399.579 4.032 20 0 GIADRO COc1cccc([C@H]2C[C@H](N(C)C(=O)N[C@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)C2)c1 ZINC000458646054 823069434 /nfs/dbraw/zinc/06/94/34/823069434.db2.gz YRUYZZTUEYBFSS-UGGKCQTMSA-N 1 0 399.579 4.236 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1c(F)cc(Br)cc1F ZINC000120815313 823069754 /nfs/dbraw/zinc/06/97/54/823069754.db2.gz PRYPBAIIUAHPEG-GFCCVEGCSA-N 1 0 389.284 4.112 20 0 GIADRO CC(C)(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cccc(F)c1 ZINC000120815078 823069788 /nfs/dbraw/zinc/06/97/88/823069788.db2.gz UEDXZVZMKGOURD-FRIKZZABSA-N 1 0 380.507 4.415 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC2(c3ccc(C(F)(F)F)cc3)CC2)[C@H](C)C1 ZINC000187473154 823070249 /nfs/dbraw/zinc/07/02/49/823070249.db2.gz IUDLGEAJNWLJGM-CRAIPNDOSA-N 1 0 397.485 4.109 20 0 GIADRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)Nc2ccc(N[C@@H](C)c3ccccc3)cc2)C1(C)C ZINC000187475952 823070994 /nfs/dbraw/zinc/07/09/94/823070994.db2.gz KZGWWRFBIMEWRN-LERMDLETSA-N 1 0 381.520 4.331 20 0 GIADRO Cc1cccnc1[C@H]([NH2+]CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1)C(C)C ZINC000120821788 823071212 /nfs/dbraw/zinc/07/12/12/823071212.db2.gz ZYRBFSOEWLNRAN-MGPUTAFESA-N 1 0 375.463 4.175 20 0 GIADRO OC[C@@H](C[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1)c1ccccc1Cl ZINC000570682035 823071549 /nfs/dbraw/zinc/07/15/49/823071549.db2.gz ORUJEVLJLBSLED-UXHICEINSA-N 1 0 384.951 4.203 20 0 GIADRO COCCc1ccc(OC[C@H](O)C[NH2+][C@H](C)c2cccc(Cl)c2Cl)cc1 ZINC000570692415 823072628 /nfs/dbraw/zinc/07/26/28/823072628.db2.gz FZVUGFGVVIVBSG-GDBMZVCRSA-N 1 0 398.330 4.273 20 0 GIADRO CCS[C@@H]1CC[C@H](N(C)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000120830473 823073187 /nfs/dbraw/zinc/07/31/87/823073187.db2.gz HDFDLYZZYSKJAM-VQTJNVASSA-N 1 0 375.582 4.098 20 0 GIADRO CCS[C@H]1CC[C@@H](N(C)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000120830937 823073481 /nfs/dbraw/zinc/07/34/81/823073481.db2.gz HDFDLYZZYSKJAM-UXHICEINSA-N 1 0 375.582 4.098 20 0 GIADRO NC(=O)N1CCC([NH2+][C@H](c2cccc(C(F)(F)F)c2)C2CCCCC2)CC1 ZINC000570701379 823073412 /nfs/dbraw/zinc/07/34/12/823073412.db2.gz MFJCYWJYGPLFEO-SFHVURJKSA-N 1 0 383.458 4.460 20 0 GIADRO CCCN(CC[NH+](CC)CC)C(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 ZINC000120834559 823073813 /nfs/dbraw/zinc/07/38/13/823073813.db2.gz UJXGVWOPWYLKQP-UHFFFAOYSA-N 1 0 385.508 4.034 20 0 GIADRO COc1ccc2ccccc2c1C[N@@H+]1CCC[C@@H](CNC(=O)CC(F)(F)F)C1 ZINC000570728684 823077054 /nfs/dbraw/zinc/07/70/54/823077054.db2.gz VSGPHOVHIUPOCE-HNNXBMFYSA-N 1 0 394.437 4.129 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+]Cc2cc(=O)oc3cc(OC)ccc23)cc1OCC ZINC000120855136 823077640 /nfs/dbraw/zinc/07/76/40/823077640.db2.gz FCSCUYXJSLRCQN-OAHLLOKOSA-N 1 0 397.471 4.450 20 0 GIADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCCCCCCOc1ccc(Cl)cc1 ZINC000187509831 823077769 /nfs/dbraw/zinc/07/77/69/823077769.db2.gz DFIMRGFRMVUNDC-XLIONFOSSA-N 1 0 395.975 4.261 20 0 GIADRO CCOc1ccc(NC(=O)C[NH2+][C@H](c2ncccc2C)C(C)C)cc1OCC ZINC000120864508 823079053 /nfs/dbraw/zinc/07/90/53/823079053.db2.gz YXSSTHTVPSIBMM-NRFANRHFSA-N 1 0 385.508 4.113 20 0 GIADRO COc1cc(-c2noc(C[NH2+][C@@H]3CCC(C)(C)C[C@H]3C)n2)cc(OC)c1OC ZINC000120867825 823079626 /nfs/dbraw/zinc/07/96/26/823079626.db2.gz AZNDJPDQOYTSJF-UKRRQHHQSA-N 1 0 389.496 4.067 20 0 GIADRO COc1ccc(-c2ccc(C)c(NC(=O)NC[C@@H]3CC[N@H+](CC(C)C)C3)c2)cn1 ZINC000570742869 823079647 /nfs/dbraw/zinc/07/96/47/823079647.db2.gz IMOASAOAVDDGQG-SFHVURJKSA-N 1 0 396.535 4.165 20 0 GIADRO C[NH+](C)Cc1ccccc1C(=O)Nc1nnc([C@H]2CCCc3ccccc32)s1 ZINC000570751202 823080903 /nfs/dbraw/zinc/08/09/03/823080903.db2.gz WIVAXGALGGAKRI-IBGZPJMESA-N 1 0 392.528 4.320 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)C[NH2+][C@H]2CCC(C)(C)C[C@@H]2C)c(C(F)(F)F)c1 ZINC000120876364 823081055 /nfs/dbraw/zinc/08/10/55/823081055.db2.gz BFQOGVITCJMREL-LRDDRELGSA-N 1 0 399.457 4.407 20 0 GIADRO c1csc(Cn2cccc2C[NH+]2CCC(c3nnc4ccccn43)CC2)c1 ZINC000120889484 823082526 /nfs/dbraw/zinc/08/25/26/823082526.db2.gz KKAGJRCIVOKHJP-UHFFFAOYSA-N 1 0 377.517 4.020 20 0 GIADRO Cc1ccc(NC(=O)c2cc(Br)ncc2Cl)c(C[NH+](C)C)c1 ZINC000187530765 823082792 /nfs/dbraw/zinc/08/27/92/823082792.db2.gz GZTRYTIBOHWZHP-UHFFFAOYSA-N 1 0 382.689 4.120 20 0 GIADRO COCc1nc(C(=O)NC2CC[NH+](C3CCCC3)CC2)c(-c2ccccc2)s1 ZINC000570782992 823086716 /nfs/dbraw/zinc/08/67/16/823086716.db2.gz GABNNCDSXUVKLD-UHFFFAOYSA-N 1 0 399.560 4.093 20 0 GIADRO CCC[C@@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)NC)cc1)c1ccc(F)cc1F ZINC000120894700 823083426 /nfs/dbraw/zinc/08/34/26/823083426.db2.gz ZQRSGTWLYCRMCM-BFUOFWGJSA-N 1 0 382.476 4.065 20 0 GIADRO CN1CCCc2cc(NC(=O)N(Cc3ccccc3)C3CC[NH+](C)CC3)ccc21 ZINC000175967536 823084086 /nfs/dbraw/zinc/08/40/86/823084086.db2.gz ZDKYGMLTJMYMNB-UHFFFAOYSA-N 1 0 392.547 4.197 20 0 GIADRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)C/C=C/c1cccc(F)c1)c1ccccc1O2 ZINC000175969573 823084503 /nfs/dbraw/zinc/08/45/03/823084503.db2.gz OLLQLYDDHHPHSM-GZNAHNRGSA-N 1 0 394.490 4.333 20 0 GIADRO CC(C)[C@@H]1C[C@H]1C(=O)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000187536965 823084558 /nfs/dbraw/zinc/08/45/58/823084558.db2.gz BVAFFESJQNROAV-CEXWTWQISA-N 1 0 382.470 4.192 20 0 GIADRO 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 ZINC000458784266 823085108 /nfs/dbraw/zinc/08/51/08/823085108.db2.gz XLQYCPCKHKLRBQ-HFTDLLCNSA-N 1 0 375.944 4.304 20 0 GIADRO C[C@@H](NC(=O)NC(C)(C)C[NH+]1CCCC1)c1ccc(Oc2cccnc2)cc1 ZINC000458784122 823085132 /nfs/dbraw/zinc/08/51/32/823085132.db2.gz XASCPIKXHLDMGN-QGZVFWFLSA-N 1 0 382.508 4.109 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2ccccc2Cc2ccccc2)C[C@@H]1C ZINC000570773859 823085298 /nfs/dbraw/zinc/08/52/98/823085298.db2.gz WGZCJSOPOFSQFR-SIKLNZKXSA-N 1 0 379.548 4.021 20 0 GIADRO CC(C)n1ncc2ccc(NC(=O)N(CC[NH+](C)C)Cc3cccs3)cc21 ZINC000175971823 823085293 /nfs/dbraw/zinc/08/52/93/823085293.db2.gz GQIRTSYEZKPNIO-UHFFFAOYSA-N 1 0 385.537 4.274 20 0 GIADRO O=C(CC[NH2+]C1CCN(Cc2ccc(F)cc2)CC1)Nc1ccc(Cl)cc1 ZINC000570778687 823086306 /nfs/dbraw/zinc/08/63/06/823086306.db2.gz GFTWTRODBXFIJM-UHFFFAOYSA-N 1 0 389.902 4.062 20 0 GIADRO CCOC(=O)N1CCC([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc3ccccc32)CC1 ZINC000187556676 823087795 /nfs/dbraw/zinc/08/77/95/823087795.db2.gz NNBJAKWWSGDNKR-IAGOWNOFSA-N 1 0 397.519 4.013 20 0 GIADRO C[C@@H](C[C@H](O)c1ccco1)[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000120927686 823088036 /nfs/dbraw/zinc/08/80/36/823088036.db2.gz ZZAWUYHGYPAHPE-LIRRHRJNSA-N 1 0 380.891 4.138 20 0 GIADRO Cc1ncsc1CC[NH2+]C[C@@H](O)CO[C@@H](c1ccccc1)c1ccccc1C ZINC000570795613 823088671 /nfs/dbraw/zinc/08/86/71/823088671.db2.gz ZZACIGHJRPRGLN-OFNKIYASSA-N 1 0 396.556 4.059 20 0 GIADRO Cc1ccc(C)c(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(NC(=O)NC3CC3)cc2)c1 ZINC000056159742 823092324 /nfs/dbraw/zinc/09/23/24/823092324.db2.gz XPUCZVGLUOFQOQ-SJORKVTESA-N 1 0 394.519 4.265 20 0 GIADRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)CC1 ZINC000570800613 823089361 /nfs/dbraw/zinc/08/93/61/823089361.db2.gz URVYGXLLANCVEX-FGTMMUONSA-N 1 0 381.347 4.334 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCC2)CC[N@@H+]1C ZINC000175988761 823089729 /nfs/dbraw/zinc/08/97/29/823089729.db2.gz NESCVXVNWYVMKK-MAUKXSAKSA-N 1 0 397.485 4.251 20 0 GIADRO Oc1cccc(N2CC[NH+](Cc3c(-c4ccccc4)nc4ccccn43)CC2)c1 ZINC000120942399 823090302 /nfs/dbraw/zinc/09/03/02/823090302.db2.gz BGHFKFBBYCXFOS-UHFFFAOYSA-N 1 0 384.483 4.029 20 0 GIADRO COc1cc(C)c([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc3ncccc32)cc1OC ZINC000056153830 823090389 /nfs/dbraw/zinc/09/03/89/823090389.db2.gz SVAHXYVWYQUIIX-JKSUJKDBSA-N 1 0 393.487 4.238 20 0 GIADRO CCc1ccccc1OCCC(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000570811975 823090765 /nfs/dbraw/zinc/09/07/65/823090765.db2.gz WOIKJEXJXAARLO-DENIHFKCSA-N 1 0 380.532 4.045 20 0 GIADRO COc1cc(Br)ccc1C[NH2+][C@H](C)CC(=O)Nc1ccccc1C ZINC000187574792 823090984 /nfs/dbraw/zinc/09/09/84/823090984.db2.gz JQYJJRHEYLRDKH-CQSZACIVSA-N 1 0 391.309 4.273 20 0 GIADRO C[N@H+](CC(=O)N[C@@H](c1cccs1)c1ccccc1)C1CCC(F)(F)CC1 ZINC000570821313 823091540 /nfs/dbraw/zinc/09/15/40/823091540.db2.gz ZJBBSKDIVSNGSF-LJQANCHMSA-N 1 0 378.488 4.463 20 0 GIADRO COc1ccc(OC)c(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cccc(OC(C)C)c2)c1 ZINC000056156955 823092004 /nfs/dbraw/zinc/09/20/04/823092004.db2.gz HYXZPWOGDJKHPX-HOTGVXAUSA-N 1 0 386.492 4.169 20 0 GIADRO CCCOc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(Cl)cn2)cc1OC ZINC000056161904 823092946 /nfs/dbraw/zinc/09/29/46/823092946.db2.gz QPUMICVGTWKPLC-KBPBESRZSA-N 1 0 391.899 4.210 20 0 GIADRO O=C(c1ccccc1OCc1ccc(Cl)cc1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000570835357 823093484 /nfs/dbraw/zinc/09/34/84/823093484.db2.gz CYRMRQQCPPEICK-QFIPXVFZSA-N 1 0 384.907 4.135 20 0 GIADRO O=C(NCCCCC[NH+]1CCCC1)NC12CCC(C(F)(F)F)(CC1)CC2 ZINC000458851983 823097718 /nfs/dbraw/zinc/09/77/18/823097718.db2.gz NLGRHBBFUCXPIL-UHFFFAOYSA-N 1 0 375.479 4.207 20 0 GIADRO COc1cccc(C[NH+]2CCC(C(=O)NCc3ccccc3)CC2)c1OC(C)C ZINC000120962893 823093896 /nfs/dbraw/zinc/09/38/96/823093896.db2.gz GSPPDWAWCTUJIB-UHFFFAOYSA-N 1 0 396.531 4.011 20 0 GIADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CSCc1ccc(Cl)cc1Cl ZINC000120965702 823094115 /nfs/dbraw/zinc/09/41/15/823094115.db2.gz UDHNMWVFWQCVFH-WBMJQRKESA-N 1 0 375.365 4.025 20 0 GIADRO CC[N@@H+]1CCCN(C(=O)c2ccc(-c3ccc(Br)s3)s2)CC1 ZINC000570843770 823094455 /nfs/dbraw/zinc/09/44/55/823094455.db2.gz GPYUHYMSTFZOJK-UHFFFAOYSA-N 1 0 399.379 4.407 20 0 GIADRO CC[NH+]1CCN(c2ccc(N[C@H](C)C(=O)Nc3ccc(C)cc3C)c(C)c2)CC1 ZINC000056170277 823094795 /nfs/dbraw/zinc/09/47/95/823094795.db2.gz BDAFNSFLBLRNAC-HXUWFJFHSA-N 1 0 394.563 4.193 20 0 GIADRO C[C@H]1CC(C)(C)CC[C@H]1[NH2+]Cc1nc(C(C)(C)NC(=O)OC(C)(C)C)no1 ZINC000120968857 823094928 /nfs/dbraw/zinc/09/49/28/823094928.db2.gz GIIRHMKDOGIJEE-UONOGXRCSA-N 1 0 380.533 4.134 20 0 GIADRO CC[C@@H](NC(=O)NCCCCC[NH+]1CCCC1)c1nc(-c2ccccc2)c[nH]1 ZINC000458836016 823095233 /nfs/dbraw/zinc/09/52/33/823095233.db2.gz BEHAWRZYLUIJJK-LJQANCHMSA-N 1 0 383.540 4.093 20 0 GIADRO Cc1cccnc1[C@H]([NH2+][C@H](C)C(=O)Nc1ccccc1Br)C(C)C ZINC000120975577 823095970 /nfs/dbraw/zinc/09/59/70/823095970.db2.gz YYVCUHSRLXUFCN-RHSMWYFYSA-N 1 0 390.325 4.466 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)Nc2cc(F)c(F)c(F)c2)CC1 ZINC000176015723 823096429 /nfs/dbraw/zinc/09/64/29/823096429.db2.gz OZLMLEYXGXIRLB-UHFFFAOYSA-N 1 0 377.410 4.232 20 0 GIADRO C[NH+](C)C1CCN(C(=O)N[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)CC1 ZINC000187611020 823097543 /nfs/dbraw/zinc/09/75/43/823097543.db2.gz AMPBJMJFDGYRHK-CQSZACIVSA-N 1 0 397.363 4.044 20 0 GIADRO CCc1nnc(-c2ccc(NC(=O)NCCC[N@H+](C)C3CCCCC3)cc2)o1 ZINC000176027344 823099325 /nfs/dbraw/zinc/09/93/25/823099325.db2.gz MQQOGEPZQXTUGZ-UHFFFAOYSA-N 1 0 385.512 4.075 20 0 GIADRO COc1ccccc1N1CCC([NH2+][C@H](C)c2ccc(Br)cn2)CC1 ZINC000570874902 823100217 /nfs/dbraw/zinc/10/02/17/823100217.db2.gz ZBMYJYSHCYMZFW-CQSZACIVSA-N 1 0 390.325 4.172 20 0 GIADRO CCOc1cccc2[nH]cc(CC(=O)N3CCC[C@@H](C[NH+]4CCC(C)CC4)C3)c21 ZINC000187626423 823100583 /nfs/dbraw/zinc/10/05/83/823100583.db2.gz HZNUDCPZGJKRPT-IBGZPJMESA-N 1 0 397.563 4.080 20 0 GIADRO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000570876517 823100650 /nfs/dbraw/zinc/10/06/50/823100650.db2.gz JLVVRMDJZUYIGH-UAGQMJEPSA-N 1 0 384.442 4.022 20 0 GIADRO CC[C@@H](c1ccncc1)N(C)C(=O)NC[C@@H](c1ccc(SC)cc1)[NH+](C)C ZINC000458878046 823100734 /nfs/dbraw/zinc/10/07/34/823100734.db2.gz BEDILUAWXPEJPC-PMACEKPBSA-N 1 0 386.565 4.199 20 0 GIADRO CC[C@H](C)[NH2+][C@H](CNC(=O)c1sc(-c2ccc(C)o2)nc1C)c1ccco1 ZINC000570879400 823100875 /nfs/dbraw/zinc/10/08/75/823100875.db2.gz POJDERJCLIULKK-SWLSCSKDSA-N 1 0 387.505 4.472 20 0 GIADRO [NH3+]Cc1cc(C(=O)NC2(Cc3ccc(Br)cc3)CCCCC2)co1 ZINC000187629159 823101117 /nfs/dbraw/zinc/10/11/17/823101117.db2.gz JLBCHPPLVXQSOP-UHFFFAOYSA-N 1 0 391.309 4.176 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C2(c3cc(F)cc(C(F)(F)F)c3)CC2)C1 ZINC000187632095 823101664 /nfs/dbraw/zinc/10/16/64/823101664.db2.gz JLUQUVYCHFWWFB-AWEZNQCLSA-N 1 0 386.433 4.066 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1cccc(OCc2ccccn2)c1)C(=O)NC1CCC(C)CC1 ZINC000056201206 823101955 /nfs/dbraw/zinc/10/19/55/823101955.db2.gz TUTQANBUOIERTI-JMDAGXMHSA-N 1 0 395.547 4.395 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1cccc(OCc2ccccn2)c1)C(=O)NC1CCC(C)CC1 ZINC000056201205 823101973 /nfs/dbraw/zinc/10/19/73/823101973.db2.gz TUTQANBUOIERTI-KYBDOYODSA-N 1 0 395.547 4.395 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1)c1cccc(OCc2ccccn2)c1 ZINC000056201356 823102046 /nfs/dbraw/zinc/10/20/46/823102046.db2.gz JMZSJNNFSSHDBN-MSOLQXFVSA-N 1 0 375.472 4.338 20 0 GIADRO CCO[C@@H]1C[C@]([NH3+])(C(=O)NCc2ccccc2-c2ccc(Cl)cc2)C1(C)C ZINC000187632317 823102098 /nfs/dbraw/zinc/10/20/98/823102098.db2.gz YBZSXRACCRBVOB-KNQAVFIVSA-N 1 0 386.923 4.156 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)NC(C)(C)C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000056207183 823103160 /nfs/dbraw/zinc/10/31/60/823103160.db2.gz UZMDDCFFGULGGT-CABCVRRESA-N 1 0 385.483 4.032 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@@H]1CCCc2c(F)cccc21 ZINC000458890058 823102360 /nfs/dbraw/zinc/10/23/60/823102360.db2.gz UBXVOJIVPKSPCA-JOCHJYFZSA-N 1 0 396.510 4.156 20 0 GIADRO Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccc(N3CCc4ccccc4C3)nc2)o1 ZINC000121010145 823102321 /nfs/dbraw/zinc/10/23/21/823102321.db2.gz CZBGYLMMURXZMN-UHFFFAOYSA-N 1 0 399.498 4.226 20 0 GIADRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCC(CC)(CC)c2ccc(Cl)cc2)C1(C)C ZINC000187634470 823102462 /nfs/dbraw/zinc/10/24/62/823102462.db2.gz BWQDKWKYTMFEAT-DYESRHJHSA-N 1 0 380.960 4.047 20 0 GIADRO COc1ccc(-c2ccc(C[NH2+]C3CCN(C(=O)c4ccoc4)CC3)cc2)cc1 ZINC000121020913 823104183 /nfs/dbraw/zinc/10/41/83/823104183.db2.gz ASNVXDZJJQFPPG-UHFFFAOYSA-N 1 0 390.483 4.350 20 0 GIADRO O=C1[C@H]([NH2+]Cc2cnc(C3CCCCC3)s2)CCN1Cc1ccc(F)cc1 ZINC000570897845 823104640 /nfs/dbraw/zinc/10/46/40/823104640.db2.gz CUOLCZLSXYNBDT-LJQANCHMSA-N 1 0 387.524 4.221 20 0 GIADRO Brc1ccccc1CC1([NH2+]Cc2cc(-c3cccnc3)n[nH]2)CC1 ZINC000570900452 823105147 /nfs/dbraw/zinc/10/51/47/823105147.db2.gz HWCQAWUKMPQQHJ-UHFFFAOYSA-N 1 0 383.293 4.099 20 0 GIADRO CC(C)c1ccccc1NC(=O)[C@H](C)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000056215961 823105382 /nfs/dbraw/zinc/10/53/82/823105382.db2.gz LVNBJEBIHALHOY-IBGZPJMESA-N 1 0 395.547 4.124 20 0 GIADRO CCN(C(=O)NCC(C)(C)c1ccccn1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000458915197 823105580 /nfs/dbraw/zinc/10/55/80/823105580.db2.gz CTNMMCDMPJLDBO-PZJWPPBQSA-N 1 0 394.563 4.226 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000121033217 823106298 /nfs/dbraw/zinc/10/62/98/823106298.db2.gz UOFDFLZRDHHZJB-UHFFFAOYSA-N 1 0 394.563 4.104 20 0 GIADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC000570930652 823108633 /nfs/dbraw/zinc/10/86/33/823108633.db2.gz DAJHXOHYQQMMEK-QMMLZNLJSA-N 1 0 392.971 4.276 20 0 GIADRO COc1ccccc1C[C@H](C)[NH2+][C@@H]1CCCN([C@@H](C)c2ccccc2F)C1=O ZINC000570914237 823106789 /nfs/dbraw/zinc/10/67/89/823106789.db2.gz QYRKDMXSRYYNHC-XGHQBKJUSA-N 1 0 384.495 4.107 20 0 GIADRO COc1ccc(COC[C@@H](O)C[N@H+](C)[C@@H](C)c2sc(C(C)C)nc2C)cc1 ZINC000121039099 823107195 /nfs/dbraw/zinc/10/71/95/823107195.db2.gz XHJWMUPIFVYHSS-WMZOPIPTSA-N 1 0 392.565 4.154 20 0 GIADRO CC[C@@H]1CCCC[C@H]1CNC(=O)N1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000458941803 823109742 /nfs/dbraw/zinc/10/97/42/823109742.db2.gz MPIZQVHEPYCMNZ-OTWHNJEPSA-N 1 0 392.613 4.131 20 0 GIADRO CCn1c(-c2sccc2C)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000570945633 823110394 /nfs/dbraw/zinc/11/03/94/823110394.db2.gz IHBZJZDMJSIGKA-QZTJIDSGSA-N 1 0 387.597 4.426 20 0 GIADRO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)C[C@H](O)COc1cccc2[nH]ccc21 ZINC000121057842 823110576 /nfs/dbraw/zinc/11/05/76/823110576.db2.gz QLIRBTQEVGDVGM-CVEARBPZSA-N 1 0 387.549 4.489 20 0 GIADRO Cc1cc(F)ccc1C1CC[NH+](C[C@@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC000570973254 823113887 /nfs/dbraw/zinc/11/38/87/823113887.db2.gz HMZAJMQRWIIWOV-IBGZPJMESA-N 1 0 380.507 4.476 20 0 GIADRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)N2CC[C@H](c3ccc(F)cc3)C2)[C@H](C(F)(F)F)C1 ZINC000570949484 823111257 /nfs/dbraw/zinc/11/12/57/823111257.db2.gz XOLKVEMSLQKAHC-USXIJHARSA-N 1 0 386.433 4.050 20 0 GIADRO COc1ccc(CN(C)C(=O)CN(C)[C@@H](C)c2sc(C(C)C)nc2C)cc1 ZINC000121065741 823111717 /nfs/dbraw/zinc/11/17/17/823111717.db2.gz QLCBZFLRHQEDSC-INIZCTEOSA-N 1 0 389.565 4.235 20 0 GIADRO COc1ccc(-c2ccc(CNC(=O)N3CCC([NH2+]C(C)C)CC3)cc2)cc1 ZINC000176068865 823111794 /nfs/dbraw/zinc/11/17/94/823111794.db2.gz RFMHARRRHAOTNH-UHFFFAOYSA-N 1 0 381.520 4.034 20 0 GIADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)N[C@H](c2ccc(F)c(Cl)c2)C2CC2)C1 ZINC000458976045 823112339 /nfs/dbraw/zinc/11/23/39/823112339.db2.gz BDJRLLBLNIQOID-QRWLVFNGSA-N 1 0 393.934 4.304 20 0 GIADRO Cc1nccn1C[C@@H](C)CNC(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1 ZINC000176070561 823112370 /nfs/dbraw/zinc/11/23/70/823112370.db2.gz ZVKUDOQIPAWQCP-ZDUSSCGKSA-N 1 0 380.319 4.373 20 0 GIADRO COc1ccccc1[C@@H](CN[C@@H](c1ncc[nH]1)c1ccc(F)cc1)[NH+]1CCCC1 ZINC000187685395 823112717 /nfs/dbraw/zinc/11/27/17/823112717.db2.gz VTABTZWCCQWVLD-IFMALSPDSA-N 1 0 394.494 4.074 20 0 GIADRO C[C@@H](NC(=O)Nc1cccc(NC(=O)c2cccs2)c1)C(C)(C)C[NH+](C)C ZINC000121074639 823113413 /nfs/dbraw/zinc/11/34/13/823113413.db2.gz HKSIEQLFUBCBGX-CQSZACIVSA-N 1 0 388.537 4.098 20 0 GIADRO CCOC(=O)N1CCC([C@H](C)[NH2+][C@H](C)c2nc3ccc(Cl)cc3n2C)CC1 ZINC000187689511 823113454 /nfs/dbraw/zinc/11/34/54/823113454.db2.gz PNMGVCZBWLISLK-UONOGXRCSA-N 1 0 392.931 4.134 20 0 GIADRO CC(C)(CO)[C@@H]([NH2+]Cc1cc2c(c(Br)c1)OCO2)c1cccs1 ZINC000570976530 823114527 /nfs/dbraw/zinc/11/45/27/823114527.db2.gz WEVMVRJPQPHLHN-INIZCTEOSA-N 1 0 398.322 4.089 20 0 GIADRO COc1ccc([C@@H](CN[C@H](c2ncc[nH]2)c2ccc(F)cc2)[NH+]2CCCC2)cc1 ZINC000187696247 823115057 /nfs/dbraw/zinc/11/50/57/823115057.db2.gz LEOUQCPTYUMLBS-YADHBBJMSA-N 1 0 394.494 4.074 20 0 GIADRO C[C@@H](C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1cc2ccccc2o1 ZINC000121085637 823115826 /nfs/dbraw/zinc/11/58/26/823115826.db2.gz FGKSGNPYIVCCHG-QGZVFWFLSA-N 1 0 392.499 4.379 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](c2ccc(F)c(Cl)c2)C2CC2)C1 ZINC000459008570 823116123 /nfs/dbraw/zinc/11/61/23/823116123.db2.gz LYAPBIAACRRZSL-IFXJQAMLSA-N 1 0 381.923 4.304 20 0 GIADRO COc1cc2c(cc1F)[nH+]ccc2N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000570993161 823116874 /nfs/dbraw/zinc/11/68/74/823116874.db2.gz LLBHMSKBFDKNTQ-KGVIQGDOSA-N 1 0 378.447 4.391 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@H](c1cccs1)N(C)C ZINC000121094879 823117565 /nfs/dbraw/zinc/11/75/65/823117565.db2.gz YMBWHMWAIZSOCS-CZUORRHYSA-N 1 0 395.956 4.020 20 0 GIADRO CCN(C(=O)NC[C@@H]1CCCC1(F)F)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000459019570 823117682 /nfs/dbraw/zinc/11/76/82/823117682.db2.gz IMDAARAPGFPFJD-NEWSRXKRSA-N 1 0 379.495 4.289 20 0 GIADRO C[C@H]([NH2+]CC1CCN(CC(F)(F)F)CC1)c1cccc(Br)c1 ZINC000187713223 823118551 /nfs/dbraw/zinc/11/85/51/823118551.db2.gz ZGPXGKPZLQIKNQ-LBPRGKRZSA-N 1 0 379.264 4.374 20 0 GIADRO C[C@H]1C[C@@H](NC(=O)Cc2ccccc2C(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000176100684 823120531 /nfs/dbraw/zinc/12/05/31/823120531.db2.gz MTBUHKRZZSEYOE-LPHOPBHVSA-N 1 0 390.449 4.417 20 0 GIADRO Cc1ccn(-c2ccccc2C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)n1 ZINC000571016429 823120701 /nfs/dbraw/zinc/12/07/01/823120701.db2.gz NKLANXSFISAPGX-LAUBAEHRSA-N 1 0 394.544 4.055 20 0 GIADRO COc1ccc2c(CC(=O)N[C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)coc2c1 ZINC000176102757 823121102 /nfs/dbraw/zinc/12/11/02/823121102.db2.gz HPGCOFLUENBEGH-XLIONFOSSA-N 1 0 392.499 4.153 20 0 GIADRO C[C@H]1C[C@H](NC(=O)c2ccccc2Br)CC[N@@H+]1Cc1ccccc1 ZINC000176103149 823121428 /nfs/dbraw/zinc/12/14/28/823121428.db2.gz ITMZLESLTAZUCP-DOTOQJQBSA-N 1 0 387.321 4.232 20 0 GIADRO COc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)ccc1OC(C)C ZINC000176103546 823121772 /nfs/dbraw/zinc/12/17/72/823121772.db2.gz GCBFQXVKASIRBO-RXVVDRJESA-N 1 0 396.531 4.265 20 0 GIADRO CCO[C@@H]1C[C@]([NH3+])(C(=O)Nc2ccc3nc(-c4ccc(F)cc4)oc3c2)C1(C)C ZINC000187736546 823122329 /nfs/dbraw/zinc/12/23/29/823122329.db2.gz CJLLPFICVBASNE-GCJKJVERSA-N 1 0 397.450 4.105 20 0 GIADRO COc1ccc2c(c1)CCC[C@H]2[N@H+](C)CC(=O)N(Cc1ccc(C)o1)C1CC1 ZINC000571033258 823122875 /nfs/dbraw/zinc/12/28/75/823122875.db2.gz JZPNRBYKCNVUIU-JOCHJYFZSA-N 1 0 382.504 4.097 20 0 GIADRO C[C@H](C[C@@H](O)c1cccs1)[NH2+]C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000121136775 823124622 /nfs/dbraw/zinc/12/46/22/823124622.db2.gz BTBYKAFVYNNKBK-RDTXWAMCSA-N 1 0 392.952 4.108 20 0 GIADRO CC(C)Oc1ccc(C[NH+]2CCC(CC(=O)N3CCCC3)CC2)cc1Cl ZINC000187741245 823123195 /nfs/dbraw/zinc/12/31/95/823123195.db2.gz PZNHTXCOGOZNFY-UHFFFAOYSA-N 1 0 378.944 4.352 20 0 GIADRO Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc(Oc4ccccc4)cn3)CC2)n[nH]1 ZINC000571036608 823123606 /nfs/dbraw/zinc/12/36/06/823123606.db2.gz VYGFUHNEZVMAOT-KRWDZBQOSA-N 1 0 377.492 4.225 20 0 GIADRO CC(C)c1noc2ncc(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)cc21 ZINC000176111875 823123898 /nfs/dbraw/zinc/12/38/98/823123898.db2.gz ZZYSOMWOAZYOQN-QFBILLFUSA-N 1 0 392.503 4.129 20 0 GIADRO Cc1ccc(C[C@@H](C)N(C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000121138546 823125068 /nfs/dbraw/zinc/12/50/68/823125068.db2.gz UAFOHUIDOUURDV-HXUWFJFHSA-N 1 0 379.548 4.232 20 0 GIADRO C/C=C/c1ccc(NC(=O)N2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)cc1 ZINC000571056382 823126262 /nfs/dbraw/zinc/12/62/62/823126262.db2.gz MLTAFCRFAPUAGC-NSCUHMNNSA-N 1 0 393.535 4.321 20 0 GIADRO CC(C)c1cc(NC(=O)NC(C)(C)CCC[NH+](C)C)n(Cc2ccccc2)n1 ZINC000571057468 823126330 /nfs/dbraw/zinc/12/63/30/823126330.db2.gz UROFBIOXTDWQGK-UHFFFAOYSA-N 1 0 385.556 4.297 20 0 GIADRO CC[C@@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(Cl)cc1 ZINC000121144500 823126391 /nfs/dbraw/zinc/12/63/91/823126391.db2.gz OYKNQOCCJKFLFR-AUUYWEPGSA-N 1 0 380.941 4.392 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)N(Cc1cccc(F)c1)C1CC1 ZINC000056335780 823130088 /nfs/dbraw/zinc/13/00/88/823130088.db2.gz PMUNNEQBHKCRNP-UHFFFAOYSA-N 1 0 381.495 4.164 20 0 GIADRO CC(C)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000459115289 823130099 /nfs/dbraw/zinc/13/00/99/823130099.db2.gz SYORUYDCJDRTIN-OAQYLSRUSA-N 1 0 375.532 4.051 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)N(CCc1ccccc1)Cc1ccccc1 ZINC000459101554 823128049 /nfs/dbraw/zinc/12/80/49/823128049.db2.gz KRJRFCVCXINALO-UHFFFAOYSA-N 1 0 391.559 4.458 20 0 GIADRO CCCN(C(=O)N[C@H](C)c1cnn(CC)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000459099939 823128109 /nfs/dbraw/zinc/12/81/09/823128109.db2.gz KZUZJZKXZVAEBU-KNQAVFIVSA-N 1 0 397.567 4.050 20 0 GIADRO Cc1cnc(C2CCN(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)[C@H]3C)CC2)s1 ZINC000571076569 823128491 /nfs/dbraw/zinc/12/84/91/823128491.db2.gz LVKXVVCDGFJIQH-FXAWDEMLSA-N 1 0 398.576 4.004 20 0 GIADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)N[C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000459107222 823128643 /nfs/dbraw/zinc/12/86/43/823128643.db2.gz XNSVIFBGUVWJLS-QOJCHSLYSA-N 1 0 377.960 4.348 20 0 GIADRO O=C(Nc1ccc(OCc2cccc(F)c2)c(F)c1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000176126341 823129515 /nfs/dbraw/zinc/12/95/15/823129515.db2.gz BLBUCBOZFIRDPB-IBGZPJMESA-N 1 0 399.441 4.022 20 0 GIADRO C[C@@H](NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1ncc(-c2ccccc2)o1 ZINC000121163737 823130495 /nfs/dbraw/zinc/13/04/95/823130495.db2.gz XDEAKNMTTXBZKE-IEBWSBKVSA-N 1 0 382.508 4.063 20 0 GIADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]Cc1nc(-c2ccccc2F)cs1 ZINC000571096997 823131828 /nfs/dbraw/zinc/13/18/28/823131828.db2.gz FMRABLQRQQASRP-NSHDSACASA-N 1 0 395.301 4.087 20 0 GIADRO C[C@H]1C[C@H](NC(=O)Cc2c[nH]c3ccc(F)cc23)CC[N@@H+]1Cc1ccccc1 ZINC000176134499 823132318 /nfs/dbraw/zinc/13/23/18/823132318.db2.gz LXFWKBGTNBGKFK-OXJNMPFZSA-N 1 0 379.479 4.019 20 0 GIADRO COc1cccc(C[C@@H]([NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)C2CC2)c1 ZINC000121177190 823132562 /nfs/dbraw/zinc/13/25/62/823132562.db2.gz VQKPWGRZEWULMR-HSZRJFAPSA-N 1 0 378.516 4.042 20 0 GIADRO C[N@H+](CCCCNC(=O)N1CCc2ccccc2[C@H]1c1ccccc1)C1CC1 ZINC000459134727 823133116 /nfs/dbraw/zinc/13/31/16/823133116.db2.gz DMQJZBZDBYJCTM-HSZRJFAPSA-N 1 0 377.532 4.218 20 0 GIADRO COc1cccc(C[C@@H]([NH2+]Cc2ccc(Cn3ccccc3=O)cc2)C2CC2)c1 ZINC000121179891 823133284 /nfs/dbraw/zinc/13/32/84/823133284.db2.gz UBXGKUUOESDVIX-XMMPIXPASA-N 1 0 388.511 4.016 20 0 GIADRO COc1ccc([C@@H](CN(C)C)[NH2+]Cc2ccc(OC(F)F)c(Cl)c2)cc1 ZINC000571111003 823133443 /nfs/dbraw/zinc/13/34/43/823133443.db2.gz ZGVMRRDMKQOBSO-QGZVFWFLSA-N 1 0 384.854 4.343 20 0 GIADRO O=C(Nc1ccccc1-c1cccs1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000121183034 823133758 /nfs/dbraw/zinc/13/37/58/823133758.db2.gz KNYYSFDSHMPVSY-WOJBJXKFSA-N 1 0 399.560 4.305 20 0 GIADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2ccc3nc(Cl)ccc3c2)CC1 ZINC000121181983 823133861 /nfs/dbraw/zinc/13/38/61/823133861.db2.gz KFHNXIRGZINHSG-OAHLLOKOSA-N 1 0 394.906 4.239 20 0 GIADRO CCN(C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)[C@H](C)Cc1ccsc1 ZINC000187790174 823133889 /nfs/dbraw/zinc/13/38/89/823133889.db2.gz OMJPMQRUURXGIU-ZHALLVOQSA-N 1 0 377.598 4.364 20 0 GIADRO CCOc1cc(CN[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc(Br)c1O ZINC000571111870 823133928 /nfs/dbraw/zinc/13/39/28/823133928.db2.gz BNDUHTLMAAQARA-QLFBSQMISA-N 1 0 399.373 4.009 20 0 GIADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)N[C@@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC000459140383 823134047 /nfs/dbraw/zinc/13/40/47/823134047.db2.gz NIUWLXYWIUMHQL-VUBSUSDNSA-N 1 0 377.960 4.348 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N1CCCC[C@@H]1c1nccs1 ZINC000176142501 823134334 /nfs/dbraw/zinc/13/43/34/823134334.db2.gz UNFPTPIQZKECBN-IAGOWNOFSA-N 1 0 388.537 4.200 20 0 GIADRO CCO[C@H]1C[C@@]([NH3+])(C(=O)Nc2ccc(OCc3ccccc3)cc2C)C1(C)C ZINC000187799662 823136092 /nfs/dbraw/zinc/13/60/92/823136092.db2.gz PJVDMVPPEYQKMN-NZQKXSOJSA-N 1 0 382.504 4.045 20 0 GIADRO O=C1C[C@@H]([C@H]2CCCC[N@@H+]2CC(Cc2ccccc2)Cc2ccccc2)CN1 ZINC000571132049 823138059 /nfs/dbraw/zinc/13/80/59/823138059.db2.gz VEJWMWSTNHSING-DNQXCXABSA-N 1 0 376.544 4.079 20 0 GIADRO CC[N@H+](CCC(=O)NC(c1ccccc1)c1ccccc1)CCc1nccs1 ZINC000121205356 823138277 /nfs/dbraw/zinc/13/82/77/823138277.db2.gz OGOYAUSXAMSMDC-UHFFFAOYSA-N 1 0 393.556 4.303 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)CCN1Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000121205421 823138711 /nfs/dbraw/zinc/13/87/11/823138711.db2.gz OXYKNOXSSJLKSL-INIZCTEOSA-N 1 0 382.895 4.096 20 0 GIADRO Cc1ccc([C@H]2C[C@@H](C)N(C(=O)C3CCN(c4cc[nH+]cc4C)CC3)C2)cc1 ZINC000571140472 823139961 /nfs/dbraw/zinc/13/99/61/823139961.db2.gz USOWRMCYINYIKF-KNQAVFIVSA-N 1 0 377.532 4.319 20 0 GIADRO COc1ccc([C@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)c2ccco2)cc1 ZINC000459190023 823140835 /nfs/dbraw/zinc/14/08/35/823140835.db2.gz DHIRICZASUFIHF-KNQAVFIVSA-N 1 0 397.519 4.038 20 0 GIADRO CC(C)[NH+]1CCC(NC(=O)c2cc3ccc(OCc4ccccc4)cc3[nH]2)CC1 ZINC000056389416 823141425 /nfs/dbraw/zinc/14/14/25/823141425.db2.gz NTDMMSIFZKDVTJ-UHFFFAOYSA-N 1 0 391.515 4.350 20 0 GIADRO C[C@@H](Oc1ccccc1NC(=O)NCc1cccc(C[NH+](C)C)c1)C(F)(F)F ZINC000571153473 823141513 /nfs/dbraw/zinc/14/15/13/823141513.db2.gz GNCPABDWFZKOEF-CQSZACIVSA-N 1 0 395.425 4.400 20 0 GIADRO C[C@H](CCCc1cccnc1)NC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000459194268 823141598 /nfs/dbraw/zinc/14/15/98/823141598.db2.gz DRBZTNJHYZNMTH-NHCUHLMSSA-N 1 0 394.563 4.099 20 0 GIADRO Cc1ccccc1C1(C[NH2+][C@H](c2ncc[nH]2)c2ccc(F)cc2)CCOCC1 ZINC000187829073 823141615 /nfs/dbraw/zinc/14/16/15/823141615.db2.gz NZGUPBUNSDRBDL-NRFANRHFSA-N 1 0 379.479 4.285 20 0 GIADRO O=C(NCc1ccc2c[nH+]cn2c1)N(CCc1cccc(F)c1)C1CCCC1 ZINC000459196646 823141942 /nfs/dbraw/zinc/14/19/42/823141942.db2.gz BOLCRLSPKSGONZ-UHFFFAOYSA-N 1 0 380.467 4.170 20 0 GIADRO C[C@H]([NH2+]C[C@@H]1CS(=O)(=O)c2ccccc21)c1nc(-c2ccccc2)cs1 ZINC000571156740 823142024 /nfs/dbraw/zinc/14/20/24/823142024.db2.gz USIAZPKWKKXSIZ-GOEBONIOSA-N 1 0 384.526 4.032 20 0 GIADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000056396117 823142476 /nfs/dbraw/zinc/14/24/76/823142476.db2.gz HDMWBZUKEXJEJW-UHFFFAOYSA-N 1 0 380.319 4.397 20 0 GIADRO C[C@@H]([NH2+]C1CC1)C(=O)Nc1cccc(NC(=O)Nc2cccc3c2CCCC3)c1 ZINC000571165861 823143260 /nfs/dbraw/zinc/14/32/60/823143260.db2.gz PMHQAFMGDWJYGW-OAHLLOKOSA-N 1 0 392.503 4.288 20 0 GIADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1 ZINC000571165355 823143265 /nfs/dbraw/zinc/14/32/65/823143265.db2.gz ZCVBEBODXWUYJR-MNOVXSKESA-N 1 0 386.443 4.000 20 0 GIADRO O=C(NCc1ccc2c[nH+]cn2c1)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000459215123 823145913 /nfs/dbraw/zinc/14/59/13/823145913.db2.gz RQPQKXVOZQJYCA-GOSISDBHSA-N 1 0 399.292 4.144 20 0 GIADRO C[C@H](C[C@@H](O)c1cccs1)[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000121234574 823144089 /nfs/dbraw/zinc/14/40/89/823144089.db2.gz UQGLFWMMSMTZIP-IIYDPXPESA-N 1 0 376.913 4.145 20 0 GIADRO C[C@H](c1nc2ccccc2s1)N(C)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000571181152 823144814 /nfs/dbraw/zinc/14/48/14/823144814.db2.gz ZFMFGADIVYYPGV-GFCCVEGCSA-N 1 0 384.480 4.306 20 0 GIADRO C[NH+](C)CC1CCN(c2ccc(NC(=O)Nc3ccc(F)cc3F)cc2)CC1 ZINC000121238083 823144964 /nfs/dbraw/zinc/14/49/64/823144964.db2.gz GIJFSFOGTNMETE-UHFFFAOYSA-N 1 0 388.462 4.387 20 0 GIADRO CC(C)[C@@H](CNC(=O)C1(c2cccnc2)CCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000571197239 823147031 /nfs/dbraw/zinc/14/70/31/823147031.db2.gz UHJZVGWMWASBFV-HSZRJFAPSA-N 1 0 391.559 4.093 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NC[C@@H]1COc2ccccc21 ZINC000571197363 823147151 /nfs/dbraw/zinc/14/71/51/823147151.db2.gz WPXMANAIEKDBIM-WIYYLYMNSA-N 1 0 393.531 4.036 20 0 GIADRO C[C@H](c1cc2ccccc2o1)N(C)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000056421876 823147321 /nfs/dbraw/zinc/14/73/21/823147321.db2.gz MPLUPDFMTIXBSK-QGZVFWFLSA-N 1 0 392.503 4.195 20 0 GIADRO CC(=O)c1ccc(OC[C@@H](O)C[NH2+]C[C@H](C)c2ccc(C(F)(F)F)cc2)cc1 ZINC000571199179 823147481 /nfs/dbraw/zinc/14/74/81/823147481.db2.gz VDDWBKIASOZYHN-LIRRHRJNSA-N 1 0 395.421 4.041 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@@H]1CCOC2(CCCC2)C1 ZINC000121252030 823148013 /nfs/dbraw/zinc/14/80/13/823148013.db2.gz ZIBMMVOAKOWWLG-GOSISDBHSA-N 1 0 389.540 4.021 20 0 GIADRO CCOCc1cc(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)ccc1OC ZINC000571207562 823148795 /nfs/dbraw/zinc/14/87/95/823148795.db2.gz BYUXTRDATAYVPM-ZLNRFVROSA-N 1 0 381.516 4.236 20 0 GIADRO O=C(CC[N@@H+]1CCCCC[C@@H]1c1ccco1)Nc1ccc(N2CCCC2=O)cc1 ZINC000121256353 823148967 /nfs/dbraw/zinc/14/89/67/823148967.db2.gz BXRAJGAZNYBBDU-HXUWFJFHSA-N 1 0 395.503 4.352 20 0 GIADRO CC[C@H](NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccccc1OC ZINC000056441242 823149404 /nfs/dbraw/zinc/14/94/04/823149404.db2.gz KUBQIQLETLXLDH-NRFANRHFSA-N 1 0 399.510 4.249 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)CC(C)(C)C(F)(F)F)C2)s1 ZINC000571217930 823150403 /nfs/dbraw/zinc/15/04/03/823150403.db2.gz RIJWNKMOXXAPJT-CQSZACIVSA-N 1 0 376.488 4.315 20 0 GIADRO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@@H+]1CC[C@](C)(O)C1 ZINC000571231628 823152409 /nfs/dbraw/zinc/15/24/09/823152409.db2.gz VLXZCSUKPLYQAC-QFIPXVFZSA-N 1 0 381.451 4.069 20 0 GIADRO CCCC[C@H]([NH2+]C[C@H]1CCN(S(=O)(=O)c2cccs2)C1)c1ccccc1 ZINC000571231650 823152412 /nfs/dbraw/zinc/15/24/12/823152412.db2.gz XQHKJCQUVZLGOA-MJGOQNOKSA-N 1 0 392.590 4.280 20 0 GIADRO CC(C)Oc1ccc([C@@H](CNC(=O)c2cccc3ncccc32)[NH+](C)C)cc1 ZINC000571234125 823152834 /nfs/dbraw/zinc/15/28/34/823152834.db2.gz MTEVVTYEQSLBAF-JOCHJYFZSA-N 1 0 377.488 4.055 20 0 GIADRO C[N@@H+]1CCC[C@H](CCNC(=O)Nc2ccccc2COCc2ccccc2)C1 ZINC000459265115 823153791 /nfs/dbraw/zinc/15/37/91/823153791.db2.gz NUQOUHRPCNQBLT-LJQANCHMSA-N 1 0 381.520 4.257 20 0 GIADRO CCCCNC(=O)c1ccc(C[NH2+]Cc2cc(C)ccc2OC(F)F)cc1 ZINC000176216893 823154862 /nfs/dbraw/zinc/15/48/62/823154862.db2.gz FBGJXRJCPKGGPJ-UHFFFAOYSA-N 1 0 376.447 4.416 20 0 GIADRO COc1cc(C)ccc1Oc1ccc(NC(=O)NCC[C@H]2CCC[N@H+](C)C2)cn1 ZINC000459274636 823154989 /nfs/dbraw/zinc/15/49/89/823154989.db2.gz ZRBDDOIXKKNKIZ-QGZVFWFLSA-N 1 0 398.507 4.044 20 0 GIADRO C[C@@H]([NH2+]C1CCN(Cc2ccsc2)CC1)c1cccc(N2CCOC2=O)c1 ZINC000121287161 823155373 /nfs/dbraw/zinc/15/53/73/823155373.db2.gz NBVVUVCCGLGZKT-MRXNPFEDSA-N 1 0 385.533 4.020 20 0 GIADRO Cc1cccc2[nH]c(CCC(=O)NCC(C)(C)[NH2+][C@H](C)c3ccccc3)nc21 ZINC000176222908 823156673 /nfs/dbraw/zinc/15/66/73/823156673.db2.gz JSBXJBALPMFBBU-QGZVFWFLSA-N 1 0 378.520 4.050 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)N2CC[C@]3(C2)CCc2ccccc2O3)cc1)C1CC1 ZINC000571251436 823155993 /nfs/dbraw/zinc/15/59/93/823155993.db2.gz GFMMGVVWMDJDOA-VWLOTQADSA-N 1 0 390.527 4.281 20 0 GIADRO CC[C@H]([NH2+]C1CCN(C(=O)Cc2ccccc2OC)CC1)c1cccc(F)c1 ZINC000187906214 823156073 /nfs/dbraw/zinc/15/60/73/823156073.db2.gz YMEOHZNJRHVAIS-NRFANRHFSA-N 1 0 384.495 4.109 20 0 GIADRO Cc1ccc([C@H]([NH2+]Cc2cccc([C@@]3(C)NC(=O)NC3=O)c2)C2CCCC2)cc1 ZINC000187917506 823157983 /nfs/dbraw/zinc/15/79/83/823157983.db2.gz RCCPAKYSWWDWSB-ZJSXRUAMSA-N 1 0 391.515 4.071 20 0 GIADRO Cc1cc(NC(=O)N(C)[C@@H]2CC[NH2+]C2)ccc1-c1ccc(Br)cc1 ZINC000571265950 823157980 /nfs/dbraw/zinc/15/79/80/823157980.db2.gz AVMQZUYHPQRFEH-QGZVFWFLSA-N 1 0 388.309 4.250 20 0 GIADRO O=C(c1cccc(C[NH+]2CCCC2)c1)N1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000176228634 823158136 /nfs/dbraw/zinc/15/81/36/823158136.db2.gz XVCZGJPYSUFZDT-VQTJNVASSA-N 1 0 384.545 4.072 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)N[C@H](C1CC1)C(C)(C)CO)C1CCCCC1 ZINC000459307607 823159256 /nfs/dbraw/zinc/15/92/56/823159256.db2.gz JFUNODQSJKYZCU-OAQYLSRUSA-N 1 0 387.568 4.370 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)Cc2c[nH]c3cccc(OCC)c23)CC1 ZINC000187929785 823159867 /nfs/dbraw/zinc/15/98/67/823159867.db2.gz TWWLEWGTHJFCIH-UHFFFAOYSA-N 1 0 385.552 4.080 20 0 GIADRO NC(=O)CC[C@H]1CCC[N@H+](C/C=C\c2ccc(OCc3ccccc3)cc2)C1 ZINC000459317427 823160174 /nfs/dbraw/zinc/16/01/74/823160174.db2.gz AZWNXIZQHSEFQQ-AEZRFQNJSA-N 1 0 378.516 4.256 20 0 GIADRO c1c(CN2CCC[C@H]2C[NH+]2CCCC2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459319485 823160626 /nfs/dbraw/zinc/16/06/26/823160626.db2.gz DVEGUOBOOGAZRN-NRFANRHFSA-N 1 0 379.552 4.120 20 0 GIADRO Cc1cccc(O[C@H](C)c2nnc(N3C[C@@H]4CCC[N@@H+]4C[C@H]3C)n2C2CC2)c1C ZINC000571291645 823160985 /nfs/dbraw/zinc/16/09/85/823160985.db2.gz KCRHXCCDTJYNFR-POAQFYNOSA-N 1 0 395.551 4.043 20 0 GIADRO COc1cc(C[NH2+]CC(C)(C)c2ccc(Br)cc2)cc(OC)c1O ZINC000571328411 823166009 /nfs/dbraw/zinc/16/60/09/823166009.db2.gz NHAQASWAKMKZFR-UHFFFAOYSA-N 1 0 394.309 4.239 20 0 GIADRO C[NH+](C)CC1CCN(c2ccc(NC(=O)c3csc(Cl)c3)cc2)CC1 ZINC000187943612 823161996 /nfs/dbraw/zinc/16/19/96/823161996.db2.gz QZKYQVGALCGRMY-UHFFFAOYSA-N 1 0 377.941 4.432 20 0 GIADRO C[NH+]1CCC(N[C@@H](c2cccc(F)c2)c2cccc(Br)c2)CC1 ZINC000121325309 823163616 /nfs/dbraw/zinc/16/36/16/823163616.db2.gz UUAJIOCUABFDHE-LJQANCHMSA-N 1 0 377.301 4.361 20 0 GIADRO CC(=O)NC1CCC([NH2+][C@H](CC2CC2)c2cc(F)cc(Br)c2)CC1 ZINC000187962564 823164508 /nfs/dbraw/zinc/16/45/08/823164508.db2.gz PGTLSRRGNMDFBJ-CTWPCTMYSA-N 1 0 397.332 4.466 20 0 GIADRO Cc1cc(N2CCC(NC(=O)c3ccccc3C)CC2)c2cc(F)ccc2[nH+]1 ZINC000121331799 823164675 /nfs/dbraw/zinc/16/46/75/823164675.db2.gz UTHPKESKUXTHEN-UHFFFAOYSA-N 1 0 377.463 4.390 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)c3ccncc3C(F)(F)F)C2)s1 ZINC000571336773 823167010 /nfs/dbraw/zinc/16/70/10/823167010.db2.gz OXCXENWVLPNVEW-AWEZNQCLSA-N 1 0 397.466 4.064 20 0 GIADRO CCc1cccc(CC)c1NC(=O)C[NH2+][C@H](C)C1CCN(CC(F)(F)F)CC1 ZINC000571337803 823167400 /nfs/dbraw/zinc/16/74/00/823167400.db2.gz XEOAVIWYVUKYLI-OAHLLOKOSA-N 1 0 399.501 4.002 20 0 GIADRO CCOC(=O)c1c(C)c2ccccc2nc1C[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC000571342294 823168366 /nfs/dbraw/zinc/16/83/66/823168366.db2.gz ZFZMRCXMJXQOAZ-SFHVURJKSA-N 1 0 375.472 4.104 20 0 GIADRO Cn1cncc1CCNC(=O)[C@@H](Sc1ccccc1Cl)c1ccccc1 ZINC000121351223 823168446 /nfs/dbraw/zinc/16/84/46/823168446.db2.gz XCIJEGVPQVMDID-IBGZPJMESA-N 1 0 385.920 4.266 20 0 GIADRO COc1ccc(N(C)C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)c(OC)c1 ZINC000459351150 823168641 /nfs/dbraw/zinc/16/86/41/823168641.db2.gz KLLDEYSBFBMQES-UHFFFAOYSA-N 1 0 397.519 4.401 20 0 GIADRO CCN1CC[C@@H]([NH2+]Cc2cc(F)ccc2OC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000571346683 823168688 /nfs/dbraw/zinc/16/86/88/823168688.db2.gz LMNNYZJEWMGPEV-XLIONFOSSA-N 1 0 382.401 4.177 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@H](C)[C@H](C)c1ccccc1 ZINC000176271280 823168836 /nfs/dbraw/zinc/16/88/36/823168836.db2.gz QHWRQLMALGXSGL-RBUKOAKNSA-N 1 0 380.536 4.061 20 0 GIADRO C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+][C@@H]1CCN(Cc2ccccc2)C1=O ZINC000571359006 823170506 /nfs/dbraw/zinc/17/05/06/823170506.db2.gz DKKXRWUTAAFPIR-VMTBQTDASA-N 1 0 388.433 4.499 20 0 GIADRO CC[NH+](CC)Cc1ccc(-c2nc(Cc3cn4cccc(C)c4n3)no2)cc1 ZINC000571362800 823171343 /nfs/dbraw/zinc/17/13/43/823171343.db2.gz VKJNWROGVTYUCB-UHFFFAOYSA-N 1 0 375.476 4.125 20 0 GIADRO COc1ccccc1C(C)(C)c1noc([C@@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000571370317 823172954 /nfs/dbraw/zinc/17/29/54/823172954.db2.gz SMVWCMRGKKHQSF-GOSISDBHSA-N 1 0 392.503 4.179 20 0 GIADRO Cc1nc(CNC(=O)C2CC[NH+](C(C)C)CC2)oc1-c1ccc(Cl)cc1 ZINC000121376737 823173174 /nfs/dbraw/zinc/17/31/74/823173174.db2.gz JIOYZLUUQPCZOY-UHFFFAOYSA-N 1 0 375.900 4.040 20 0 GIADRO C[C@@H]1CN(c2ccccc2C[NH2+]Cc2csc(Br)c2)CCO1 ZINC000459364811 823173191 /nfs/dbraw/zinc/17/31/91/823173191.db2.gz AORKYSSYHLXEBD-CYBMUJFWSA-N 1 0 381.339 4.026 20 0 GIADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)Nc1ccc(CNc2ccccc2)cc1 ZINC000176288548 823173301 /nfs/dbraw/zinc/17/33/01/823173301.db2.gz WSJQEELNMZXIOR-JOCHJYFZSA-N 1 0 381.520 4.030 20 0 GIADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(C)(C)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000188021165 823173375 /nfs/dbraw/zinc/17/33/75/823173375.db2.gz VDGDOFGYJGMBQS-FUHWJXTLSA-N 1 0 382.470 4.217 20 0 GIADRO C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(C)c1 ZINC000056576299 823173389 /nfs/dbraw/zinc/17/33/89/823173389.db2.gz IPDONZBBMFRABI-UHFFFAOYSA-N 1 0 396.510 4.106 20 0 GIADRO CN(C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)C1Cc2ccccc2C1 ZINC000056577954 823173935 /nfs/dbraw/zinc/17/39/35/823173935.db2.gz OHIAQVRODKRONL-UHFFFAOYSA-N 1 0 397.950 4.113 20 0 GIADRO COCC(=O)Nc1cccc(C[NH2+][C@@H](C)Cc2ccccc2C(F)(F)F)c1 ZINC000571375915 823174307 /nfs/dbraw/zinc/17/43/07/823174307.db2.gz BRVVLWPOXHQGMP-AWEZNQCLSA-N 1 0 380.410 4.011 20 0 GIADRO CCSc1ccc(Cl)cc1C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000176295917 823175323 /nfs/dbraw/zinc/17/53/23/823175323.db2.gz PCUSXWBAMCQYMD-UHFFFAOYSA-N 1 0 389.952 4.241 20 0 GIADRO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C1 ZINC000459373893 823175797 /nfs/dbraw/zinc/17/57/97/823175797.db2.gz IPPQQUOLJONCKI-QGZVFWFLSA-N 1 0 391.519 4.370 20 0 GIADRO c1c(C[N@@H+]2CCC[C@@]3(CCCOC3)C2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459376065 823176326 /nfs/dbraw/zinc/17/63/26/823176326.db2.gz NMSOQLMYSZZXCZ-HSZRJFAPSA-N 1 0 380.536 4.453 20 0 GIADRO OCCC1(C[NH2+][C@@H](c2ccccc2)c2ccc(Br)cc2F)CC1 ZINC000188045290 823176747 /nfs/dbraw/zinc/17/67/47/823176747.db2.gz BRNDRZXIQVIYMT-SFHVURJKSA-N 1 0 378.285 4.430 20 0 GIADRO Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000571401068 823177767 /nfs/dbraw/zinc/17/77/67/823177767.db2.gz OKGYHKXTGRDKMV-OALUTQOASA-N 1 0 391.437 4.256 20 0 GIADRO Cc1ccc(CNC(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)nc1C ZINC000571403668 823178193 /nfs/dbraw/zinc/17/81/93/823178193.db2.gz PAGZRTDEFMBRDJ-GOSISDBHSA-N 1 0 380.536 4.072 20 0 GIADRO Cc1ccnc(-c2cccc(NC(=O)N(CC[NH+](C)C)Cc3ccsc3)c2)n1 ZINC000459396847 823183007 /nfs/dbraw/zinc/18/30/07/823183007.db2.gz GHNSEAVGXPGKMG-UHFFFAOYSA-N 1 0 395.532 4.109 20 0 GIADRO COc1cccc(CC[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)c1 ZINC000459382230 823178381 /nfs/dbraw/zinc/17/83/81/823178381.db2.gz CWJSTTKKAOQHPN-UHFFFAOYSA-N 1 0 376.504 4.401 20 0 GIADRO CC[C@H](C)NC(=O)c1cccc(C[NH2+]Cc2c(C)nc3scc(C4CC4)n23)c1 ZINC000459382281 823178420 /nfs/dbraw/zinc/17/84/20/823178420.db2.gz DAFZDLRUVNZQJL-AWEZNQCLSA-N 1 0 396.560 4.400 20 0 GIADRO C[C@H]1CN(c2ccccc2C[NH2+]Cc2cc(Br)ccc2F)CCO1 ZINC000459383567 823178903 /nfs/dbraw/zinc/17/89/03/823178903.db2.gz GFDSSYBBMWKFDN-AWEZNQCLSA-N 1 0 393.300 4.103 20 0 GIADRO CCS(=O)(=O)c1ccc(N2CCC([NH2+]Cc3ccc(C4CC4)cc3)CC2)cc1 ZINC000459384497 823179233 /nfs/dbraw/zinc/17/92/33/823179233.db2.gz CZPXITUZVNMBEH-UHFFFAOYSA-N 1 0 398.572 4.116 20 0 GIADRO CCN(C(=O)NCc1noc2ccccc12)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000571417893 823179967 /nfs/dbraw/zinc/17/99/67/823179967.db2.gz VCTGUIBRDITTGU-PKOBYXMFSA-N 1 0 392.503 4.195 20 0 GIADRO CC1CC[NH+]([C@@H](CNC(=O)[C@@H]2CCC(=O)c3ccccc32)c2ccccc2)CC1 ZINC000571422853 823180678 /nfs/dbraw/zinc/18/06/78/823180678.db2.gz UIOXHZNCUHKIEL-PKTZIBPZSA-N 1 0 390.527 4.336 20 0 GIADRO Fc1cccc(C[N@H+]2CCC[C@@H](c3nc(COc4cccc(F)c4)no3)C2)c1 ZINC000188065405 823180845 /nfs/dbraw/zinc/18/08/45/823180845.db2.gz RQFCIMBVEXLNSI-MRXNPFEDSA-N 1 0 385.414 4.306 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N(Cc1ccco1)C[C@@H]1CCCO1 ZINC000056611643 823180922 /nfs/dbraw/zinc/18/09/22/823180922.db2.gz NRBVFAGBOSBFPO-QFIPXVFZSA-N 1 0 399.535 4.011 20 0 GIADRO OCCC1(C[NH2+][C@H](c2ccc(Br)cc2)c2ccccc2F)CC1 ZINC000188073054 823182252 /nfs/dbraw/zinc/18/22/52/823182252.db2.gz IZVBYRZMKVNIDT-GOSISDBHSA-N 1 0 378.285 4.430 20 0 GIADRO OCCC1(C[NH2+][C@@H](c2ccc(Br)cc2)c2ccccc2F)CC1 ZINC000188073077 823182268 /nfs/dbraw/zinc/18/22/68/823182268.db2.gz IZVBYRZMKVNIDT-SFHVURJKSA-N 1 0 378.285 4.430 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(NC(=O)c3ccc(F)cc3)cc2)[C@H]1SC ZINC000459395466 823182335 /nfs/dbraw/zinc/18/23/35/823182335.db2.gz HVPDDIAUKSNDCP-XUVXKRRUSA-N 1 0 388.508 4.077 20 0 GIADRO COc1ccc(C[NH2+]Cc2ccccc2N2CCO[C@H](C)C2)c(C(F)(F)F)c1 ZINC000459397254 823182914 /nfs/dbraw/zinc/18/29/14/823182914.db2.gz JSKKIJLCYRJYKG-OAHLLOKOSA-N 1 0 394.437 4.229 20 0 GIADRO C[C@@H]([NH2+]Cc1cc(=O)[nH]c(-c2ccccc2)n1)c1ccc(NC(=O)C2CC2)cc1 ZINC000459400006 823183862 /nfs/dbraw/zinc/18/38/62/823183862.db2.gz VYFFIHFGCDHCNB-OAHLLOKOSA-N 1 0 388.471 4.049 20 0 GIADRO CCC(CC)[C@@H](CNC(=O)Nc1ccccc1-c1nncn1C(C)C)[NH+](C)C ZINC000176330999 823183999 /nfs/dbraw/zinc/18/39/99/823183999.db2.gz XMMZGSRDGCXPBX-LJQANCHMSA-N 1 0 386.544 4.014 20 0 GIADRO CCOc1cc(C[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)cc(Cl)c1O ZINC000459400840 823184253 /nfs/dbraw/zinc/18/42/53/823184253.db2.gz WYIMNIMWVOJJNY-AWEZNQCLSA-N 1 0 388.895 4.422 20 0 GIADRO C/C(=C\c1ccccc1OC(F)F)C[NH2+]Cc1cnn(CC(F)(F)F)c1 ZINC000571452101 823184931 /nfs/dbraw/zinc/18/49/31/823184931.db2.gz NGAXQRLFMRMZFJ-WUXMJOGZSA-N 1 0 375.341 4.240 20 0 GIADRO C[NH+](C)CCOc1cc(-c2noc(-c3cscc3-c3ccccc3)n2)ccn1 ZINC000571453919 823185215 /nfs/dbraw/zinc/18/52/15/823185215.db2.gz KXQRCPGKVFZUBL-UHFFFAOYSA-N 1 0 392.484 4.468 20 0 GIADRO CN(CC[NH+]1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1)c1ccccc1 ZINC000176347176 823188721 /nfs/dbraw/zinc/18/87/21/823188721.db2.gz WOMRQRSXWCDWJL-UHFFFAOYSA-N 1 0 391.559 4.026 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1C[NH2+]C1CCN(c2cccc(C)n2)CC1 ZINC000459405859 823185809 /nfs/dbraw/zinc/18/58/09/823185809.db2.gz FLJSHDFFLWZWRG-UHFFFAOYSA-N 1 0 381.549 4.044 20 0 GIADRO COc1ccc(C[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)cc1O ZINC000459405790 823185864 /nfs/dbraw/zinc/18/58/64/823185864.db2.gz UGRZVPZWOPEBHB-UHFFFAOYSA-N 1 0 378.476 4.064 20 0 GIADRO Cc1cccc(C)c1NC(=O)C[NH2+][C@H](C)Cc1ccc(Br)cc1 ZINC000188097284 823186107 /nfs/dbraw/zinc/18/61/07/823186107.db2.gz JNBKAVPRATVEFX-OAHLLOKOSA-N 1 0 375.310 4.225 20 0 GIADRO CCN(C(=O)c1ccc(CC[NH+](C)C)cc1)c1ccc(Br)cc1 ZINC000571462293 823186326 /nfs/dbraw/zinc/18/63/26/823186326.db2.gz NXVOBHWKOJFPCT-UHFFFAOYSA-N 1 0 375.310 4.220 20 0 GIADRO COc1ccc(C[C@H]([NH2+]C2CCN(C3CC3)CC2)c2ccccc2)cc1OC ZINC000459413882 823187726 /nfs/dbraw/zinc/18/77/26/823187726.db2.gz XXHDJERRALPIFA-QFIPXVFZSA-N 1 0 380.532 4.204 20 0 GIADRO CC(C)(CCS(C)(=O)=O)[NH2+]C/C=C\c1ccc(OCc2ccccc2)cc1 ZINC000459417564 823188334 /nfs/dbraw/zinc/18/83/34/823188334.db2.gz DNSIRTYWMNOKAD-YFHOEESVSA-N 1 0 387.545 4.082 20 0 GIADRO O=c1cc(C[NH2+][C@@H](c2cc(F)cc(Br)c2)C2CC2)nc(C2CC2)[nH]1 ZINC000459418257 823188338 /nfs/dbraw/zinc/18/83/38/823188338.db2.gz ZPLFXEUATBIULI-QGZVFWFLSA-N 1 0 392.272 4.202 20 0 GIADRO Cc1nc(C)c(CC[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)s1 ZINC000459425423 823189843 /nfs/dbraw/zinc/18/98/43/823189843.db2.gz KEHNPGQRUOMQCV-UHFFFAOYSA-N 1 0 381.549 4.466 20 0 GIADRO CCOc1cc(C[NH2+][C@@H](C)[C@H]2COc3ccccc32)cc(Br)c1O ZINC000459428543 823190185 /nfs/dbraw/zinc/19/01/85/823190185.db2.gz BESVIRQYCYGGFJ-SWLSCSKDSA-N 1 0 392.293 4.208 20 0 GIADRO Cc1nc(CC[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)sc1C ZINC000459427470 823190257 /nfs/dbraw/zinc/19/02/57/823190257.db2.gz FZPDRQNGNXYNLW-UHFFFAOYSA-N 1 0 381.549 4.466 20 0 GIADRO COc1ccc([C@H](OC)[C@@H](C)[NH2+]Cc2c(C)nc3scc(C4CC4)n23)cc1 ZINC000459454839 823195480 /nfs/dbraw/zinc/19/54/80/823195480.db2.gz CGXCNDQUQMMRBC-JLTOFOAXSA-N 1 0 385.533 4.456 20 0 GIADRO CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCOC3(CCSCC3)C2)[C@H]1Sc1ccccc1 ZINC000459428647 823190509 /nfs/dbraw/zinc/19/05/09/823190509.db2.gz BPICNFPOXQORGM-MTFMMBMASA-N 1 0 393.618 4.359 20 0 GIADRO CCOc1cc(C[NH2+][C@H]2CCCC[C@@H]2n2cccn2)cc(Br)c1O ZINC000459434257 823191234 /nfs/dbraw/zinc/19/12/34/823191234.db2.gz HOSJKDRQCHJHGL-HOTGVXAUSA-N 1 0 394.313 4.023 20 0 GIADRO Cc1ccc(OC(F)F)c(C[NH2+]Cc2ccccc2N2CCO[C@H](C)C2)c1 ZINC000459432569 823191291 /nfs/dbraw/zinc/19/12/91/823191291.db2.gz GGIZQQLCKPXZIY-MRXNPFEDSA-N 1 0 376.447 4.111 20 0 GIADRO Cc1ccc(OC(F)F)c(C[NH2+]Cc2ccccc2N2CCO[C@@H](C)C2)c1 ZINC000459432567 823191330 /nfs/dbraw/zinc/19/13/30/823191330.db2.gz GGIZQQLCKPXZIY-INIZCTEOSA-N 1 0 376.447 4.111 20 0 GIADRO C[C@@H]1CN(c2ccccc2C[NH2+]C[C@H]2CCCN(C)[C@@H]2c2cccs2)CCO1 ZINC000459434482 823191613 /nfs/dbraw/zinc/19/16/13/823191613.db2.gz OTESZCITSAXNDO-XQFWAAQXSA-N 1 0 399.604 4.146 20 0 GIADRO CCOc1cc(C[NH2+]C2(c3cccc(OC)c3)CC2)cc(Br)c1O ZINC000459435806 823191951 /nfs/dbraw/zinc/19/19/51/823191951.db2.gz JEYAASPJGGEOEJ-UHFFFAOYSA-N 1 0 392.293 4.341 20 0 GIADRO C[NH+](C)CCN(Cc1cccs1)C(=O)N[C@H](c1ccco1)c1ccccc1 ZINC000176366371 823192273 /nfs/dbraw/zinc/19/22/73/823192273.db2.gz HBSQEELRPMEVEE-FQEVSTJZSA-N 1 0 383.517 4.204 20 0 GIADRO CCOc1cc(C[NH2+][C@H](CC)c2c(C)noc2C)cc(Br)c1O ZINC000459438604 823192289 /nfs/dbraw/zinc/19/22/89/823192289.db2.gz JAGTUOAXITUVJZ-CQSZACIVSA-N 1 0 383.286 4.399 20 0 GIADRO COCc1cc(C[NH2+]CC2(c3cccc(Br)c3)CCCC2)no1 ZINC000459440095 823192390 /nfs/dbraw/zinc/19/23/90/823192390.db2.gz LOXOJXCZJQQSOY-UHFFFAOYSA-N 1 0 379.298 4.185 20 0 GIADRO CC(C)(C)C1CC([NH2+]Cc2cccnc2Oc2cccc(S(C)(=O)=O)c2)C1 ZINC000459440443 823192413 /nfs/dbraw/zinc/19/24/13/823192413.db2.gz UWFVZGYBUIXTMX-UHFFFAOYSA-N 1 0 388.533 4.192 20 0 GIADRO Cc1cc(NC(=O)N[C@H]2CC[C@@H](c3cccc(F)c3)C2)n(C2CC[NH+](C)CC2)n1 ZINC000571498292 823192693 /nfs/dbraw/zinc/19/26/93/823192693.db2.gz QYHDNGMURDHCSE-MJGOQNOKSA-N 1 0 399.514 4.055 20 0 GIADRO O=C(Nc1cccc(-c2ccc3c(c2)CCO3)c1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000571503977 823193237 /nfs/dbraw/zinc/19/32/37/823193237.db2.gz KIFLQOSIVRQGBR-OAQYLSRUSA-N 1 0 391.515 4.142 20 0 GIADRO C[C@@H](C[NH2+]C1CCN(Cc2ccncc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000188144743 823193331 /nfs/dbraw/zinc/19/33/31/823193331.db2.gz BOCGSMPUWMUPTE-INIZCTEOSA-N 1 0 377.454 4.458 20 0 GIADRO CC(=O)Nc1c(C)ccc(NC(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)c1C ZINC000056691016 823193859 /nfs/dbraw/zinc/19/38/59/823193859.db2.gz SMOVBWVKDCMNNW-HXUWFJFHSA-N 1 0 388.556 4.140 20 0 GIADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2ccc(Oc3ccccc3)o2)CC1 ZINC000176377316 823193877 /nfs/dbraw/zinc/19/38/77/823193877.db2.gz ICHCFVBRSOOBHH-UHFFFAOYSA-N 1 0 380.444 4.402 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1C[NH2+]Cc1ccc(C)cc1N1CCOCC1 ZINC000459446931 823194012 /nfs/dbraw/zinc/19/40/12/823194012.db2.gz QDTLVVFCBLSHGC-UHFFFAOYSA-N 1 0 396.560 4.016 20 0 GIADRO C[S@](=O)Cc1ccc(C[NH2+][C@@H]2CCCc3cc(Br)ccc32)cc1 ZINC000571531704 823196716 /nfs/dbraw/zinc/19/67/16/823196716.db2.gz PQZCJOAZCOOJTM-XXBNENTESA-N 1 0 392.362 4.495 20 0 GIADRO C[C@@H]1CN(c2ccccc2C[NH2+]C[C@@H]2CCCO[C@@H]2c2ccccc2)CCO1 ZINC000459461677 823197127 /nfs/dbraw/zinc/19/71/27/823197127.db2.gz GMLASOWSDOQIMR-WNOPAQSVSA-N 1 0 380.532 4.169 20 0 GIADRO FC(F)(F)c1ccnc(CC[NH2+]Cc2ccccc2OCc2cccnc2)c1 ZINC000571534530 823197085 /nfs/dbraw/zinc/19/70/85/823197085.db2.gz QZKGFMBQGWJCQN-UHFFFAOYSA-N 1 0 387.405 4.407 20 0 GIADRO CC(C)Oc1ccc([C@@H](C)NC(=O)N(CC[NH+](C)C)Cc2cccs2)cc1 ZINC000176392906 823197526 /nfs/dbraw/zinc/19/75/26/823197526.db2.gz JNCOPIXCPHMCRY-QGZVFWFLSA-N 1 0 389.565 4.370 20 0 GIADRO O[C@H](C[N@H+](Cc1ccccc1)Cc1cc(F)cc2c1OCOC2)c1cccs1 ZINC000176393267 823197548 /nfs/dbraw/zinc/19/75/48/823197548.db2.gz XSPFHXMFPSCRJV-HXUWFJFHSA-N 1 0 399.487 4.490 20 0 GIADRO C[C@H](Cc1ccc(O)cc1)[N@H+](C)Cc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000121510497 823197573 /nfs/dbraw/zinc/19/75/73/823197573.db2.gz LQVPOCCOJJEJBV-CQSZACIVSA-N 1 0 383.517 4.446 20 0 GIADRO COc1ccc(-c2ccccc2C)cc1C[NH+]1CCC(CC(=O)N(C)C)CC1 ZINC000459465292 823197853 /nfs/dbraw/zinc/19/78/53/823197853.db2.gz NYVYBZMMUPDUTC-UHFFFAOYSA-N 1 0 380.532 4.361 20 0 GIADRO O=C(Nc1cccc(-c2noc(C3CC3)n2)c1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000176396979 823198824 /nfs/dbraw/zinc/19/88/24/823198824.db2.gz QBSIKIBTTAUQDQ-KRWDZBQOSA-N 1 0 380.492 4.207 20 0 GIADRO Cc1nc2ccc(NC(=O)N3CC[C@@]4(CC[N@H+](Cc5ccccc5)C4)C3)cc2o1 ZINC000571549298 823199388 /nfs/dbraw/zinc/19/93/88/823199388.db2.gz JMVFNCQKXKLIQY-HSZRJFAPSA-N 1 0 390.487 4.266 20 0 GIADRO C[C@H](O)C[C@@H](C[NH2+]C1CCN(Cc2ccccc2Cl)CC1)c1ccccc1 ZINC000121523079 823199758 /nfs/dbraw/zinc/19/97/58/823199758.db2.gz ZRNWDQMLPNQGLQ-RXVVDRJESA-N 1 0 386.967 4.449 20 0 GIADRO C[C@@H]1CN(c2ccccc2CNc2cccc(CC[N@H+](C)C3CC3)c2)CCO1 ZINC000459475241 823200162 /nfs/dbraw/zinc/20/01/62/823200162.db2.gz YUEOXGWTPMPUJT-LJQANCHMSA-N 1 0 379.548 4.161 20 0 GIADRO O=C(c1ccncc1)N1CCC([NH2+][C@@H]2CCC[C@@H]2Cc2ccc(Cl)cc2)CC1 ZINC000459475385 823200203 /nfs/dbraw/zinc/20/02/03/823200203.db2.gz ZWIKWHZAGLLNHS-DENIHFKCSA-N 1 0 397.950 4.341 20 0 GIADRO O=c1cc(C[NH2+][C@H](c2cccc(OC(F)(F)F)c2)C2CC2)nc(C2CC2)[nH]1 ZINC000459476404 823200435 /nfs/dbraw/zinc/20/04/35/823200435.db2.gz ZMRJRHAUEWPEEJ-KRWDZBQOSA-N 1 0 379.382 4.199 20 0 GIADRO CCOc1cc(C[N@H+](CCCOc2ccccc2)C2CCOCC2)ccc1O ZINC000459484560 823202061 /nfs/dbraw/zinc/20/20/61/823202061.db2.gz SZDGJUYHRAJJMB-UHFFFAOYSA-N 1 0 385.504 4.241 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(C(C)C)nn2-c2ccccc2)[C@@H](C)C1 ZINC000571573002 823202476 /nfs/dbraw/zinc/20/24/76/823202476.db2.gz JWUCQVOKETULGA-PXNSSMCTSA-N 1 0 383.540 4.190 20 0 GIADRO Clc1cc(Cl)cc(CN2CCC([NH2+]Cc3cnc(C4CC4)nc3)CC2)c1 ZINC000459487636 823202556 /nfs/dbraw/zinc/20/25/56/823202556.db2.gz SYXVNUKEFVYTRT-UHFFFAOYSA-N 1 0 391.346 4.415 20 0 GIADRO CCOc1cc(C[NH2+]C[C@H](C)c2ncc(C)s2)cc(Br)c1O ZINC000459486418 823202632 /nfs/dbraw/zinc/20/26/32/823202632.db2.gz PTKSUUJCBGNYHS-JTQLQIEISA-N 1 0 385.327 4.212 20 0 GIADRO C[C@@H](CCNCc1cn(C2CCCC2)nc1-c1ccccn1)[NH+]1CCCCC1 ZINC000459490560 823203322 /nfs/dbraw/zinc/20/33/22/823203322.db2.gz WPZXLIWFFDOFKR-IBGZPJMESA-N 1 0 381.568 4.414 20 0 GIADRO [NH3+][C@H]1CCO[C@H](C2CCN(C(=O)N(c3ccccc3)c3ccccc3)CC2)C1 ZINC000571582296 823203610 /nfs/dbraw/zinc/20/36/10/823203610.db2.gz PBKDETXYIKJDAQ-UGKGYDQZSA-N 1 0 379.504 4.163 20 0 GIADRO CC(C)Oc1c(F)cc(NC(=O)N(CC[NH+](C)C)Cc2ccsc2)cc1F ZINC000459494580 823203889 /nfs/dbraw/zinc/20/38/89/823203889.db2.gz BKAKTRYFPAJOBV-UHFFFAOYSA-N 1 0 397.491 4.409 20 0 GIADRO CCS[C@H]1CCC[C@H](NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)C1 ZINC000176417643 823204014 /nfs/dbraw/zinc/20/40/14/823204014.db2.gz RTXHPVMMQOMTPD-FPOVZHCZSA-N 1 0 389.609 4.357 20 0 GIADRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2csc(-c3ccccc3Cl)n2)C[C@@H](C)C1 ZINC000571591318 823204614 /nfs/dbraw/zinc/20/46/14/823204614.db2.gz VSTLBFILZBIXOA-SUNYJGFJSA-N 1 0 389.952 4.266 20 0 GIADRO COc1ccc(-c2ccccc2C)cc1CNc1ccn(C2CC[NH+](C)CC2)n1 ZINC000459499127 823205045 /nfs/dbraw/zinc/20/50/45/823205045.db2.gz DKWFDHJRLCFOJL-UHFFFAOYSA-N 1 0 390.531 4.168 20 0 GIADRO CO[C@@H](CC[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1)C(F)(F)F ZINC000459500418 823205517 /nfs/dbraw/zinc/20/55/17/823205517.db2.gz XWHQPFOJVNWMFN-KRWDZBQOSA-N 1 0 382.430 4.117 20 0 GIADRO COc1ccc(-c2noc([C@@H](C)[N@@H+]3CC[C@@]4(C3)CCc3ccccc3O4)n2)cc1 ZINC000571604798 823206869 /nfs/dbraw/zinc/20/68/69/823206869.db2.gz ZXFQRIDLJXXQBG-WAIKUNEKSA-N 1 0 391.471 4.276 20 0 GIADRO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)Cc1ccc(C2CC2)cc1 ZINC000459501657 823205823 /nfs/dbraw/zinc/20/58/23/823205823.db2.gz ODHNOFZFQKJOOY-KRWDZBQOSA-N 1 0 384.545 4.297 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCCO[C@@H]2c2ccncc2)[C@H]1Sc1ccccc1 ZINC000459481149 823201485 /nfs/dbraw/zinc/20/14/85/823201485.db2.gz AFWZVARJYHVGTN-VNXMGFANSA-N 1 0 384.545 4.230 20 0 GIADRO Cc1ccn(C2CC[NH+](Cc3cn(C4CCCC4)nc3-c3ccccn3)CC2)n1 ZINC000459509328 823207386 /nfs/dbraw/zinc/20/73/86/823207386.db2.gz VBKLEDRTIUWTPA-UHFFFAOYSA-N 1 0 390.535 4.402 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)Nc1ccc(C(=O)C2CCC2)cc1 ZINC000459513296 823208277 /nfs/dbraw/zinc/20/82/77/823208277.db2.gz OYHZDCHILWIZPZ-UHFFFAOYSA-N 1 0 385.533 4.327 20 0 GIADRO CCOC(=O)C1(C(=O)c2ccccc2)CC[NH+](CC2CCC(F)(F)CC2)CC1 ZINC000459513241 823208319 /nfs/dbraw/zinc/20/83/19/823208319.db2.gz OCTKFNBVKKJVGK-UHFFFAOYSA-N 1 0 393.474 4.340 20 0 GIADRO COc1ccc2c(c1)CN([C@@H]1CCCN(C(C)C)C1=O)[C@@H](c1ccccc1)C2 ZINC000571632485 823212185 /nfs/dbraw/zinc/21/21/85/823212185.db2.gz ZNFWCCAZSISOHM-DHIUTWEWSA-N 1 0 378.516 4.194 20 0 GIADRO CCOc1ccc([C@H](COC)[NH2+]Cc2cc(Cl)c(O)c(OCC)c2)cc1 ZINC000459514806 823208585 /nfs/dbraw/zinc/20/85/85/823208585.db2.gz CJCSFBPDXWQQIH-SFHVURJKSA-N 1 0 379.884 4.320 20 0 GIADRO CS(=O)(=O)c1cc(C[NH2+]Cc2ccc(C3CC3)cc2)cc(C(F)(F)F)c1 ZINC000459514352 823208710 /nfs/dbraw/zinc/20/87/10/823208710.db2.gz BUXRHQZNJGLKPI-UHFFFAOYSA-N 1 0 383.435 4.276 20 0 GIADRO Cc1cc([C@H]2CCCN2C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)no1 ZINC000056764191 823208949 /nfs/dbraw/zinc/20/89/49/823208949.db2.gz JDUVAKLLMFISSZ-OAQYLSRUSA-N 1 0 382.508 4.380 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N1CCc2ccc(O)cc2C1 ZINC000056764079 823209078 /nfs/dbraw/zinc/20/90/78/823209078.db2.gz MXORTFUCDVRNAN-UHFFFAOYSA-N 1 0 379.504 4.011 20 0 GIADRO Cc1cc(C(=O)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)c(F)cc1F ZINC000176444640 823209167 /nfs/dbraw/zinc/20/91/67/823209167.db2.gz WKYQUGCXSBYFTD-UHFFFAOYSA-N 1 0 387.474 4.304 20 0 GIADRO Clc1cnn2cc(CC[NH2+][C@H]3CCCOc4ccc(Cl)cc43)cnc12 ZINC000571614473 823209390 /nfs/dbraw/zinc/20/93/90/823209390.db2.gz CDSDXWCSJUCPIT-INIZCTEOSA-N 1 0 377.275 4.082 20 0 GIADRO CCC(=O)N1CC[C@H]([NH2+][C@H](c2ccccc2)c2ccc(Br)cc2)C1 ZINC000188250031 823209416 /nfs/dbraw/zinc/20/94/16/823209416.db2.gz KDHPKHXEPUFJIZ-AZUAARDMSA-N 1 0 387.321 4.139 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Nc1cccc(-c2nccs2)c1)c1cccc(F)c1 ZINC000056778441 823212371 /nfs/dbraw/zinc/21/23/71/823212371.db2.gz RCPYJFLKJHEFEM-SFHVURJKSA-N 1 0 384.480 4.374 20 0 GIADRO O=C(Nc1cccc(-c2nccs2)c1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000056778369 823212377 /nfs/dbraw/zinc/21/23/77/823212377.db2.gz KYKJVCGJNNKFIC-LJQANCHMSA-N 1 0 378.501 4.206 20 0 GIADRO Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000459519307 823209862 /nfs/dbraw/zinc/20/98/62/823209862.db2.gz JMXBOKQHRQXCJV-IBGZPJMESA-N 1 0 378.516 4.194 20 0 GIADRO C[NH+](C)CCN(Cc1cccs1)C(=O)N[C@@H]1CCc2c1cccc2Cl ZINC000176448734 823210036 /nfs/dbraw/zinc/21/00/36/823210036.db2.gz VKPZENHQGAXFCY-GOSISDBHSA-N 1 0 377.941 4.162 20 0 GIADRO COc1ccc(-c2cnc(C[NH+]3CCC4(CC3)OCCc3ccccc34)o2)cc1 ZINC000459522072 823210324 /nfs/dbraw/zinc/21/03/24/823210324.db2.gz MEISQFQUFCBOBA-UHFFFAOYSA-N 1 0 390.483 4.414 20 0 GIADRO Cc1ccc(NC(=O)N2CCC([NH+]3CCCC3)CC2)c(OCC(F)(F)F)c1 ZINC000056771772 823210809 /nfs/dbraw/zinc/21/08/09/823210809.db2.gz PUYAFJONPDNRDM-UHFFFAOYSA-N 1 0 385.430 4.028 20 0 GIADRO CC(C)[NH+]1CCN(CCCSc2nc(C(F)(F)F)nc3ccccc32)CC1 ZINC000188264561 823211147 /nfs/dbraw/zinc/21/11/47/823211147.db2.gz WDXITFJWABOXHP-UHFFFAOYSA-N 1 0 398.498 4.157 20 0 GIADRO Cc1cc(C)c(NC(=O)C[NH2+][C@H](c2ccccc2)C2(CO)CCCC2)c(C)c1 ZINC000459532048 823213067 /nfs/dbraw/zinc/21/30/67/823213067.db2.gz NXPJCKAWFNMYIF-HSZRJFAPSA-N 1 0 380.532 4.434 20 0 GIADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)Nc1ccc(-c2csnn2)cc1 ZINC000056786699 823213127 /nfs/dbraw/zinc/21/31/27/823213127.db2.gz RJPAMYCMTJSXGV-QGZVFWFLSA-N 1 0 399.545 4.225 20 0 GIADRO CCOCc1ccccc1CNC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000121598350 823213445 /nfs/dbraw/zinc/21/34/45/823213445.db2.gz SONGNZYBQBFMOY-UHFFFAOYSA-N 1 0 387.568 4.065 20 0 GIADRO Cc1ccc2nc(COc3cccc(-c4nc([C@H]([NH3+])CC(C)C)no4)c3)cn2c1 ZINC000571680257 823217957 /nfs/dbraw/zinc/21/79/57/823217957.db2.gz ROLNKQDUIDUDRF-LJQANCHMSA-N 1 0 391.475 4.318 20 0 GIADRO Cc1cc([C@H]([NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)c2ccccc2Cl)ccc1F ZINC000571648561 823214277 /nfs/dbraw/zinc/21/42/77/823214277.db2.gz VQWMJMHEEUPJBI-NYHFZMIOSA-N 1 0 386.898 4.477 20 0 GIADRO Cc1cc([C@H]([NH2+]C[C@H]2CC(=O)N(C3CC3)C2)c2ccccc2Cl)ccc1F ZINC000571648563 823214316 /nfs/dbraw/zinc/21/43/16/823214316.db2.gz VQWMJMHEEUPJBI-QRQCRPRQSA-N 1 0 386.898 4.477 20 0 GIADRO Cn1nccc1[C@H]1OCC[C@@H]1[NH2+]C/C=C\c1ccc(OCc2ccccc2)cc1 ZINC000459536615 823214478 /nfs/dbraw/zinc/21/44/78/823214478.db2.gz QJFAJFADDFABQE-GENZQYHBSA-N 1 0 389.499 4.132 20 0 GIADRO O=C(C[NH2+][C@@H](c1ccccc1)C1(CO)CCCC1)Nc1ccc(F)cc1Cl ZINC000459537251 823214696 /nfs/dbraw/zinc/21/46/96/823214696.db2.gz TURKDVSXMMOADL-FQEVSTJZSA-N 1 0 390.886 4.301 20 0 GIADRO Cc1[nH]c2ccccc2c1C1CCN(C(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000056794304 823215063 /nfs/dbraw/zinc/21/50/63/823215063.db2.gz YLTGAJOJIPEOPL-UHFFFAOYSA-N 1 0 382.552 4.238 20 0 GIADRO CC(C)[NH+]1CCC(NC(=O)N2CCC[C@@H]2c2ccc(Br)cc2)CC1 ZINC000056794298 823215154 /nfs/dbraw/zinc/21/51/54/823215154.db2.gz IOZPOBVFBAOBAI-GOSISDBHSA-N 1 0 394.357 4.168 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCCSc3ccc(Cl)cc32)[C@@H]1n1cccn1 ZINC000571662063 823215797 /nfs/dbraw/zinc/21/57/97/823215797.db2.gz DLFIFFAUFUJAJW-BMFAXAFESA-N 1 0 377.941 4.472 20 0 GIADRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)N[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000571663470 823216114 /nfs/dbraw/zinc/21/61/14/823216114.db2.gz WTJOMVNXZXCZOZ-MAUKXSAKSA-N 1 0 393.890 4.092 20 0 GIADRO CCOc1cc(C[NH2+]CCC2C[C@@H](C)O[C@H](C)C2)cc(Br)c1O ZINC000459544140 823216643 /nfs/dbraw/zinc/21/66/43/823216643.db2.gz NFKAKFYQZQQQKX-CHWSQXEVSA-N 1 0 386.330 4.237 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+]C2CCN(c3nccs3)CC2)[C@H]1Sc1ccccc1 ZINC000459545081 823216967 /nfs/dbraw/zinc/21/69/67/823216967.db2.gz RYPNAFNKCYIWAH-IPMKNSEASA-N 1 0 389.590 4.040 20 0 GIADRO CCOCC[C@@H](O)C[NH2+][C@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC000571671138 823216974 /nfs/dbraw/zinc/21/69/74/823216974.db2.gz SYDZRTIVCOGJEZ-MOPGFXCFSA-N 1 0 396.300 4.055 20 0 GIADRO C[N@@H+]1CCC[C@@H](CCNC(=O)Nc2cc(F)c(Br)cc2Cl)C1 ZINC000459550917 823218335 /nfs/dbraw/zinc/21/83/35/823218335.db2.gz UYPRBNNYPFZVOZ-JTQLQIEISA-N 1 0 392.700 4.095 20 0 GIADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459547935 823217524 /nfs/dbraw/zinc/21/75/24/823217524.db2.gz PNFGNCQMPAHXNQ-NQIIRXRSSA-N 1 0 379.552 4.119 20 0 GIADRO C[C@@H]1CN(c2ccccc2C[NH2+]Cc2ccncc2OCCC(C)(C)C)CCO1 ZINC000459573432 823222964 /nfs/dbraw/zinc/22/29/64/823222964.db2.gz WMBLJTHQOVNJSK-LJQANCHMSA-N 1 0 397.563 4.412 20 0 GIADRO Oc1cccc(C[NH+]2CCC3(CC2)OCCc2ccccc23)c1Br ZINC000459556470 823219780 /nfs/dbraw/zinc/21/97/80/823219780.db2.gz AALIOHHGPWOGBN-UHFFFAOYSA-N 1 0 388.305 4.219 20 0 GIADRO COc1ccc(-c2ccccc2C)cc1C[NH2+][C@H]1CCO[C@@H](c2nccn2C)C1 ZINC000459556926 823219888 /nfs/dbraw/zinc/21/98/88/823219888.db2.gz BWRMWHFCEWNLJZ-NZQKXSOJSA-N 1 0 391.515 4.414 20 0 GIADRO CC1CC[NH+](Cc2ccc(NC(=O)c3csc(-c4ncccn4)n3)cc2)CC1 ZINC000056832345 823220294 /nfs/dbraw/zinc/22/02/94/823220294.db2.gz PYPTYEWSCWIOBU-UHFFFAOYSA-N 1 0 393.516 4.084 20 0 GIADRO Cc1[nH]c(=S)sc1CC(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000056832210 823220365 /nfs/dbraw/zinc/22/03/65/823220365.db2.gz HLEMNYNUPCOVQJ-UHFFFAOYSA-N 1 0 375.563 4.153 20 0 GIADRO Cc1cc(F)c(C[NH2+][C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)c(Cl)c1 ZINC000459560822 823220594 /nfs/dbraw/zinc/22/05/94/823220594.db2.gz OICREJNUTPYVJA-GFCCVEGCSA-N 1 0 380.813 4.211 20 0 GIADRO Cc1cc(NC(=O)C2CCN(c3c(C)c(C)[nH+]c4c(Cl)cccc43)CC2)no1 ZINC000571698191 823220912 /nfs/dbraw/zinc/22/09/12/823220912.db2.gz MWIBZMYWQMPBAH-UHFFFAOYSA-N 1 0 398.894 4.078 20 0 GIADRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(Cc2cn(C3CCCC3)nc2-c2ccccn2)C[C@@H](C)C1 ZINC000459563785 823221082 /nfs/dbraw/zinc/22/10/82/823221082.db2.gz VKNZFVYXUDBMLH-PWHSHALESA-N 1 0 393.579 4.222 20 0 GIADRO Cc1cc(C(F)(F)F)ncc1NC(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000459573032 823223151 /nfs/dbraw/zinc/22/31/51/823223151.db2.gz BTOXOCHWCYUAPS-UHFFFAOYSA-N 1 0 386.443 4.066 20 0 GIADRO COc1cccc([C@H]2CCCN2C(=O)NC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000176497000 823221355 /nfs/dbraw/zinc/22/13/55/823221355.db2.gz HWWCVRSRBNQJBS-JOCHJYFZSA-N 1 0 385.552 4.339 20 0 GIADRO CCN(Cc1c(F)cccc1F)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176499478 823222189 /nfs/dbraw/zinc/22/21/89/823222189.db2.gz OJRRKSHEUBMHQN-UHFFFAOYSA-N 1 0 379.495 4.293 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)c1 ZINC000121650026 823222541 /nfs/dbraw/zinc/22/25/41/823222541.db2.gz NWCBEVYSBQCEJN-KRWDZBQOSA-N 1 0 383.511 4.142 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@H](c3ccncc3)C2)[C@H]1Sc1ccccc1 ZINC000459570954 823222612 /nfs/dbraw/zinc/22/26/12/823222612.db2.gz NHQOIQICWMFWFQ-GLOJMNGXSA-N 1 0 384.545 4.230 20 0 GIADRO C[NH+](C)CCC1CCN(C(=O)N[C@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000056816870 823218782 /nfs/dbraw/zinc/21/87/82/823218782.db2.gz OUJZOLUQKUIOLG-KRWDZBQOSA-N 1 0 381.973 4.250 20 0 GIADRO Cc1n[nH]c(C)c1[C@@H]1CCCCC[N@H+]1Cc1ccccc1N1CCO[C@H](C)C1 ZINC000459552495 823218795 /nfs/dbraw/zinc/21/87/95/823218795.db2.gz ULBGLJDUDZFNEL-VGSWGCGISA-N 1 0 382.552 4.369 20 0 GIADRO CN(C)c1cccc([C@@H]2CCCN2C(=O)NC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000176485742 823218845 /nfs/dbraw/zinc/21/88/45/823218845.db2.gz CAPJSJAONKPMJV-QHCPKHFHSA-N 1 0 398.595 4.396 20 0 GIADRO Cc1nc2c(s1)[C@H](N(C)C(=O)NC1CC[NH+](C3CCCCC3)CC1)CCC2 ZINC000176502559 823222882 /nfs/dbraw/zinc/22/28/82/823222882.db2.gz NLEKXKAPTJONLV-LJQANCHMSA-N 1 0 390.597 4.267 20 0 GIADRO Oc1cccc(C[NH+]2CCC(CCCn3ccnc3)CC2)c1Br ZINC000459554914 823219282 /nfs/dbraw/zinc/21/92/82/823219282.db2.gz DNWAEVYURFAQPD-UHFFFAOYSA-N 1 0 378.314 4.044 20 0 GIADRO Cc1ccc(-c2nnc([C@H](C)[N@@H+]3CC[C@](C)(C(=O)OC(C)(C)C)C3)o2)cc1C ZINC000459576611 823223803 /nfs/dbraw/zinc/22/38/03/823223803.db2.gz GOCBVOFMBMDVSP-AOMKIAJQSA-N 1 0 385.508 4.468 20 0 GIADRO Cc1ccc(-c2nnc([C@@H](C)[N@@H+]3CC[C@](C)(C(=O)OC(C)(C)C)C3)o2)cc1C ZINC000459576635 823224297 /nfs/dbraw/zinc/22/42/97/823224297.db2.gz GOCBVOFMBMDVSP-ZHRRBRCNSA-N 1 0 385.508 4.468 20 0 GIADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@@H](C)c2ccccc2C(F)(F)F)o1 ZINC000056854233 823224815 /nfs/dbraw/zinc/22/48/15/823224815.db2.gz PEPGBBGSZQUFBD-HNNXBMFYSA-N 1 0 397.441 4.441 20 0 GIADRO Oc1cccc(C[NH2+]C2(Cc3cccc(F)c3)CCOCC2)c1Br ZINC000459580923 823225064 /nfs/dbraw/zinc/22/50/64/823225064.db2.gz BPXUAKBPMJGIHF-UHFFFAOYSA-N 1 0 394.284 4.175 20 0 GIADRO Cc1ccc(Nc2ccccc2C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000571723584 823225127 /nfs/dbraw/zinc/22/51/27/823225127.db2.gz LUGORXDPAAEWBW-WWPVKYPJSA-N 1 0 393.531 4.062 20 0 GIADRO C[N@H+](Cc1cn(C2CCCC2)nc1-c1ccccn1)[C@@H](CO)c1ccccc1 ZINC000459583068 823225509 /nfs/dbraw/zinc/22/55/09/823225509.db2.gz SDNDXSUWTARCJM-QFIPXVFZSA-N 1 0 376.504 4.226 20 0 GIADRO CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]Cc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1 ZINC000571725079 823225644 /nfs/dbraw/zinc/22/56/44/823225644.db2.gz TWYXVBIAWJYOKN-YVWKXTFCSA-N 1 0 383.536 4.360 20 0 GIADRO CCOc1ccccc1Oc1ccccc1C(=O)N1CC[C@H](C[N@H+](C)CC)C1 ZINC000176513402 823225991 /nfs/dbraw/zinc/22/59/91/823225991.db2.gz MPHKOZMRWOYHMS-GOSISDBHSA-N 1 0 382.504 4.291 20 0 GIADRO Cc1ccc(C(=O)C2CCN(C(=O)NCCCC[N@H+]3CCCC[C@@H]3C)CC2)cc1 ZINC000056868796 823226037 /nfs/dbraw/zinc/22/60/37/823226037.db2.gz OAJIGFNBJXOQJB-FQEVSTJZSA-N 1 0 399.579 4.254 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)N2CCC(=Cc3cccc(F)c3)CC2)c1 ZINC000056873503 823226521 /nfs/dbraw/zinc/22/65/21/823226521.db2.gz WDGKTPOJIFOAGX-UHFFFAOYSA-N 1 0 381.495 4.276 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1C[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC000459594990 823227020 /nfs/dbraw/zinc/22/70/20/823227020.db2.gz SKRSIICBYBTWIT-UHFFFAOYSA-N 1 0 380.439 4.328 20 0 GIADRO COc1ccc(-c2csc(CNC(=O)N(C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)c2)cc1 ZINC000176517661 823227049 /nfs/dbraw/zinc/22/70/49/823227049.db2.gz XMKMTSNZQDNGBC-MAUKXSAKSA-N 1 0 387.549 4.048 20 0 GIADRO FC(F)(F)CN1Cc2ccc(NC3CCN(c4cc[nH+]cc4)CC3)cc2C1 ZINC000459595421 823227122 /nfs/dbraw/zinc/22/71/22/823227122.db2.gz MSYMDTROUHIVON-UHFFFAOYSA-N 1 0 376.426 4.040 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)[C@@H](O)Cc2cccc(C(F)(F)F)c2)cc1 ZINC000188377935 823229648 /nfs/dbraw/zinc/22/96/48/823229648.db2.gz ZQLTVIUBEWAERC-IBGZPJMESA-N 1 0 394.437 4.089 20 0 GIADRO C[NH+](C)CCc1ccc(C(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)cc1 ZINC000571774474 823232861 /nfs/dbraw/zinc/23/28/61/823232861.db2.gz IDXUDWLHQRDVHF-UHFFFAOYSA-N 1 0 393.531 4.059 20 0 GIADRO CC[C@@H](NC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1)c1nccs1 ZINC000121684524 823230325 /nfs/dbraw/zinc/23/03/25/823230325.db2.gz GAJBSRNITDBPPU-HZPDHXFCSA-N 1 0 392.594 4.428 20 0 GIADRO Cc1ccccc1[C@@H](OC[C@H](O)C[NH2+][C@@H](C)c1cncc(F)c1)c1ccccc1 ZINC000459618109 823230483 /nfs/dbraw/zinc/23/04/83/823230483.db2.gz BUPWJVHHFFILDK-ANJVHQHFSA-N 1 0 394.490 4.347 20 0 GIADRO CCOCC[C@H](O)C[NH2+][C@@H](c1ccc(OC)cc1C)c1ccccc1Cl ZINC000571755050 823230638 /nfs/dbraw/zinc/23/06/38/823230638.db2.gz SRFMVVVZVFTHIE-KKSFZXQISA-N 1 0 377.912 4.124 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC[C@@H](O)Cc3ccc(C(F)(F)F)cc3)ccc21 ZINC000571756436 823231078 /nfs/dbraw/zinc/23/10/78/823231078.db2.gz MDHKMXYVKAYJDO-AZUAARDMSA-N 1 0 378.438 4.270 20 0 GIADRO [NH3+]C1(CNC(=O)c2oc3ccccc3c2CSc2ccccc2F)CCC1 ZINC000571759979 823231219 /nfs/dbraw/zinc/23/12/19/823231219.db2.gz FUJSLRCPKGRSHW-UHFFFAOYSA-N 1 0 384.476 4.475 20 0 GIADRO Cc1nnc([C@H](C)[NH2+][C@H]2CCN(C(C)(C)C)[C@H]2c2ccc(Cl)c(F)c2)[nH]1 ZINC000571764130 823231674 /nfs/dbraw/zinc/23/16/74/823231674.db2.gz FJWPOPQBQSNOIA-GOPGUHFVSA-N 1 0 379.911 4.170 20 0 GIADRO C[C@H]([NH2+]CC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1)c1cncc(F)c1 ZINC000459625741 823231989 /nfs/dbraw/zinc/23/19/89/823231989.db2.gz YHVZIEAYWMNDDZ-SBUREZEXSA-N 1 0 389.474 4.046 20 0 GIADRO CSc1ccc(CNC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000056944370 823233559 /nfs/dbraw/zinc/23/35/59/823233559.db2.gz ZGMXYIDKENMHMQ-UHFFFAOYSA-N 1 0 383.561 4.181 20 0 GIADRO CCc1noc(C2CCC([NH2+]CCc3cccc(Br)c3)CC2)n1 ZINC000459633689 823233909 /nfs/dbraw/zinc/23/39/09/823233909.db2.gz DTJMIQDGDDWJKW-UHFFFAOYSA-N 1 0 378.314 4.253 20 0 GIADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)Nc1cccc(COCC2CC2)c1 ZINC000571784157 823233979 /nfs/dbraw/zinc/23/39/79/823233979.db2.gz LESYWAKJKOUXIA-GOSISDBHSA-N 1 0 381.520 4.255 20 0 GIADRO CC(C)CN(CC[NH+](C)C)C(=O)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000176547460 823234417 /nfs/dbraw/zinc/23/44/17/823234417.db2.gz KBKMVCHRUNYEHZ-UHFFFAOYSA-N 1 0 388.537 4.052 20 0 GIADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(C)(C)Cc2nc3ccccc3[nH]2)C1 ZINC000409498153 823234688 /nfs/dbraw/zinc/23/46/88/823234688.db2.gz DJPDJYCQZVVDQX-IAGOWNOFSA-N 1 0 384.568 4.004 20 0 GIADRO C[C@H](CCCc1cccnc1)[NH2+][C@H](C)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000459638898 823235312 /nfs/dbraw/zinc/23/53/12/823235312.db2.gz JXTOFFPUJGLCOI-FGTMMUONSA-N 1 0 379.504 4.395 20 0 GIADRO O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)c1cccnc1C(F)(F)F ZINC000188417010 823237593 /nfs/dbraw/zinc/23/75/93/823237593.db2.gz JKABEJAERJPCTL-UHFFFAOYSA-N 1 0 393.409 4.217 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)CO[C@@H](C)c1ccc(Cl)cc1)c1nc2c(s1)CCC2 ZINC000459640022 823235500 /nfs/dbraw/zinc/23/55/00/823235500.db2.gz WVRNAMVGZQDTQT-HEHGZKQESA-N 1 0 380.941 4.075 20 0 GIADRO Cc1nc(-c2cccc(NC(=O)C[NH2+][C@H](C)CCCc3cccnc3)c2)cs1 ZINC000459640542 823235584 /nfs/dbraw/zinc/23/55/84/823235584.db2.gz LNQCWSPFIKIVIA-MRXNPFEDSA-N 1 0 394.544 4.453 20 0 GIADRO COc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCc1cccc(Br)c1 ZINC000459641974 823235875 /nfs/dbraw/zinc/23/58/75/823235875.db2.gz MPFAIRQXFBKEMT-CQSZACIVSA-N 1 0 391.309 4.007 20 0 GIADRO FC(F)(F)[C@@H]1CC[N@H+](Cc2ccc3c(c2)OCCCCO3)CC12CCOCC2 ZINC000459641150 823235926 /nfs/dbraw/zinc/23/59/26/823235926.db2.gz AQEDDVKHEUXKSW-LJQANCHMSA-N 1 0 399.453 4.419 20 0 GIADRO COc1cc(C[NH2+][C@@H](C)c2cncc(F)c2)ccc1OCc1c(C)noc1C ZINC000459647231 823237734 /nfs/dbraw/zinc/23/77/34/823237734.db2.gz JSWGEJAWQVJWIF-ZDUSSCGKSA-N 1 0 385.439 4.264 20 0 GIADRO FC(F)Oc1ccccc1C[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459645605 823236880 /nfs/dbraw/zinc/23/68/80/823236880.db2.gz QYYPBCJDHXOTSJ-HNNXBMFYSA-N 1 0 379.369 4.469 20 0 GIADRO CCN(CC)c1ncc(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)s1 ZINC000459645428 823236936 /nfs/dbraw/zinc/23/69/36/823236936.db2.gz GOUQUFXPAWPPSQ-HNNXBMFYSA-N 1 0 391.503 4.170 20 0 GIADRO FC(F)(F)[C@@H]1CC[N@H+](Cc2cnc(-c3ccccc3)[nH]2)CC12CCOCC2 ZINC000459646466 823237759 /nfs/dbraw/zinc/23/77/59/823237759.db2.gz IJQVNXMFDARARM-QGZVFWFLSA-N 1 0 379.426 4.258 20 0 GIADRO C[C@H]([NH2+][C@H]1CCN(C)[C@H]1c1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000571811476 823238056 /nfs/dbraw/zinc/23/80/56/823238056.db2.gz VZCOWWBHYIEMNO-JVPBZIDWSA-N 1 0 391.437 4.067 20 0 GIADRO COc1ccc([C@H](Cc2ccncc2)[NH2+][C@H]2CCC[C@@H](C(=O)NC(C)C)C2)cc1 ZINC000571811971 823238159 /nfs/dbraw/zinc/23/81/59/823238159.db2.gz VYXDSZSSZPIUET-GIWBLDEGSA-N 1 0 395.547 4.047 20 0 GIADRO COc1ccc(NC(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc1SC ZINC000459647556 823238175 /nfs/dbraw/zinc/23/81/75/823238175.db2.gz ABWZKEFRTLMQFM-YJBOKZPZSA-N 1 0 385.533 4.374 20 0 GIADRO COc1cc(Br)c(C[NH2+][C@@H](C)CCCc2cccnc2)cc1O ZINC000459650568 823239137 /nfs/dbraw/zinc/23/91/37/823239137.db2.gz NLYCPYUKHNZKDL-ZDUSSCGKSA-N 1 0 379.298 4.059 20 0 GIADRO CCCCN(CCCC)C(=O)C[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459651106 823239234 /nfs/dbraw/zinc/23/92/34/823239234.db2.gz YNWDSOURXTVEQF-KRWDZBQOSA-N 1 0 392.506 4.096 20 0 GIADRO COc1ccc(CCCCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000057042853 823242624 /nfs/dbraw/zinc/24/26/24/823242624.db2.gz FMBCLXKFGVUBEU-UHFFFAOYSA-N 1 0 380.532 4.189 20 0 GIADRO CCOc1cc(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)ccc1OC ZINC000459652397 823240087 /nfs/dbraw/zinc/24/00/87/823240087.db2.gz QNKWODDYIWNOSZ-SFHVURJKSA-N 1 0 387.442 4.275 20 0 GIADRO CC(C)n1ncc2cc(C[N@@H+]3CC[C@@H](C(F)(F)F)C4(CCOCC4)C3)cnc21 ZINC000459653832 823240308 /nfs/dbraw/zinc/24/03/08/823240308.db2.gz DMHMNAJXNZIKSZ-QGZVFWFLSA-N 1 0 396.457 4.193 20 0 GIADRO C[C@H]([NH2+][C@H]1C[C@H](c2ccccc2Cl)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000571824912 823240479 /nfs/dbraw/zinc/24/04/79/823240479.db2.gz CLKVSOZJOSWUPY-QRTARXTBSA-N 1 0 378.925 4.308 20 0 GIADRO Fc1cc(F)cc(C[N@@H+]2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)c1 ZINC000121742765 823241012 /nfs/dbraw/zinc/24/10/12/823241012.db2.gz ZSYWUOHIMIGESL-ZDUSSCGKSA-N 1 0 396.363 4.406 20 0 GIADRO Fc1ccc(C2=CC[C@@H]([NH2+][C@H]3CCCc4c3cnn4-c3ncccn3)CC2)cc1 ZINC000571831279 823241154 /nfs/dbraw/zinc/24/11/54/823241154.db2.gz ATSLOTRRCHVCML-CTNGQTDRSA-N 1 0 389.478 4.405 20 0 GIADRO Cc1nn(-c2ccccn2)c(C)c1C[NH2+]Cc1ccc(Br)c(C)c1 ZINC000459656738 823241652 /nfs/dbraw/zinc/24/16/52/823241652.db2.gz HSBAMJPNLXRFOP-UHFFFAOYSA-N 1 0 385.309 4.245 20 0 GIADRO Cc1ccc(C[N@@H+]2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)s1 ZINC000121745636 823241753 /nfs/dbraw/zinc/24/17/53/823241753.db2.gz CJSZALOJAGDBIB-ZDUSSCGKSA-N 1 0 380.439 4.498 20 0 GIADRO CC(C)C[NH+]1CCC(NCc2cccc3c2N(C(=O)OC(C)(C)C)CC3)CC1 ZINC000176587276 823242793 /nfs/dbraw/zinc/24/27/93/823242793.db2.gz GVMPOFAGVBTDOW-UHFFFAOYSA-N 1 0 387.568 4.194 20 0 GIADRO Cc1ccc(CN(Cc2ccco2)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)s1 ZINC000176582124 823241853 /nfs/dbraw/zinc/24/18/53/823241853.db2.gz XGKZVMBOLHITSA-IAGOWNOFSA-N 1 0 375.538 4.234 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)c2nc(Cl)ccc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000176583424 823242173 /nfs/dbraw/zinc/24/21/73/823242173.db2.gz GLRUPOHBZYTSNW-HIFRSBDPSA-N 1 0 378.303 4.171 20 0 GIADRO C[NH+]1CCN(Cc2cccc(NC(=O)c3ccc(SC(F)F)cc3)c2)CC1 ZINC000057054741 823244028 /nfs/dbraw/zinc/24/40/28/823244028.db2.gz SCXAYNGCBOBQHY-UHFFFAOYSA-N 1 0 391.487 4.001 20 0 GIADRO Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459662767 823244681 /nfs/dbraw/zinc/24/46/81/823244681.db2.gz NXUHETGZUXRTQK-LJQANCHMSA-N 1 0 393.453 4.362 20 0 GIADRO C/C(=C/c1ccccc1OC(F)F)C[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000571846721 823244832 /nfs/dbraw/zinc/24/48/32/823244832.db2.gz FRYAWHJDMQRUNB-PEZBUJJGSA-N 1 0 378.463 4.168 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)c1cc2ccccc2s1 ZINC000188469644 823245522 /nfs/dbraw/zinc/24/55/22/823245522.db2.gz OLTMNUVKMGQJCX-OAHLLOKOSA-N 1 0 386.542 4.292 20 0 GIADRO C[NH+](C)[C@@H](CN[C@@H](c1ncc[nH]1)c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000188480159 823247626 /nfs/dbraw/zinc/24/76/26/823247626.db2.gz JPQGEZMVDMDEGS-RBUKOAKNSA-N 1 0 388.437 4.410 20 0 GIADRO C[C@@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)c1ccc(-c2cccnc2)cc1 ZINC000176601246 823245769 /nfs/dbraw/zinc/24/57/69/823245769.db2.gz CAYJLIDNEPAHOW-AUSIDOKSSA-N 1 0 392.547 4.470 20 0 GIADRO CN(CC(F)(F)F)C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000409542886 823246164 /nfs/dbraw/zinc/24/61/64/823246164.db2.gz CPWYDAFDYCLMGP-UHFFFAOYSA-N 1 0 379.426 4.119 20 0 GIADRO CC1=C(C)CN(C(=O)Nc2cccc(NC(=O)CC[NH+]3CCCCC3)c2)CC1 ZINC000571858535 823246566 /nfs/dbraw/zinc/24/65/66/823246566.db2.gz VRTRDIYRXRWPPL-UHFFFAOYSA-N 1 0 384.524 4.075 20 0 GIADRO C[C@H](NC(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1)c1cncc(F)c1 ZINC000571857266 823246678 /nfs/dbraw/zinc/24/66/78/823246678.db2.gz GXGHUFWFYLRATQ-BZSNNMDCSA-N 1 0 398.526 4.259 20 0 GIADRO CCOc1ccc([C@H](C)NC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)cc1 ZINC000121775960 823247785 /nfs/dbraw/zinc/24/77/85/823247785.db2.gz USKOXPCULUBQRU-KRWDZBQOSA-N 1 0 385.508 4.045 20 0 GIADRO COC(=O)c1cc([C@@H](C)[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)oc1C ZINC000459669937 823247062 /nfs/dbraw/zinc/24/70/62/823247062.db2.gz VDPDTLQQDCNHKH-MLGOLLRUSA-N 1 0 389.414 4.117 20 0 GIADRO Cc1cccc([C@@H]2CCCN2C(=O)NC2CC[NH+](CCOC(C)C)CC2)c1C ZINC000176611308 823248082 /nfs/dbraw/zinc/24/80/82/823248082.db2.gz NTVNSCSKQBSAAU-QFIPXVFZSA-N 1 0 387.568 4.039 20 0 GIADRO Clc1cccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c1 ZINC000121778751 823248785 /nfs/dbraw/zinc/24/87/85/823248785.db2.gz UTUBEXDSEDLUDV-MRXNPFEDSA-N 1 0 392.894 4.152 20 0 GIADRO C[C@@H](Oc1ccc(C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)cc1)c1ccccc1 ZINC000409556415 823248912 /nfs/dbraw/zinc/24/89/12/823248912.db2.gz YCZAXTBQIYZPIE-QGZVFWFLSA-N 1 0 384.439 4.082 20 0 GIADRO COc1cc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)ccc1Cl ZINC000121781079 823249955 /nfs/dbraw/zinc/24/99/55/823249955.db2.gz NESGGWRAWVBOTJ-AWEZNQCLSA-N 1 0 378.925 4.052 20 0 GIADRO O=C(NC[C@H]1CCCO[C@@H]1c1ccccc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000409565158 823250146 /nfs/dbraw/zinc/25/01/46/823250146.db2.gz IKTWZCILUJLJLA-DHIUTWEWSA-N 1 0 378.516 4.180 20 0 GIADRO OCC1([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CCSCC1 ZINC000459689643 823251157 /nfs/dbraw/zinc/25/11/57/823251157.db2.gz GAMJXBHAOQPHHH-UHFFFAOYSA-N 1 0 397.519 4.026 20 0 GIADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCC(c3nc4ccccc4s3)CC2)C1 ZINC000176629149 823252721 /nfs/dbraw/zinc/25/27/21/823252721.db2.gz XYENJTLMMBRKKX-IAGOWNOFSA-N 1 0 386.565 4.058 20 0 GIADRO CN(CCC(F)(F)F)[C@H](C[NH2+]CC[C@@H]1CCOC1)c1ccc(Cl)cc1 ZINC000571900207 823251287 /nfs/dbraw/zinc/25/12/87/823251287.db2.gz NRNDMTZSTIPJPK-RHSMWYFYSA-N 1 0 378.866 4.282 20 0 GIADRO c1ccc(CN2CCOCC2)c(C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)c1 ZINC000121789696 823251749 /nfs/dbraw/zinc/25/17/49/823251749.db2.gz QYDADVWOQJYYFR-XMMPIXPASA-N 1 0 392.543 4.011 20 0 GIADRO C[C@H](C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)c1ccc(C(F)(F)F)cc1 ZINC000409573753 823252319 /nfs/dbraw/zinc/25/23/19/823252319.db2.gz GNNAXKOMWYUXLW-HNAYVOBHSA-N 1 0 378.438 4.098 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)N[C@H](CC(F)(F)F)c1ccccc1)c1cccs1 ZINC000057131380 823253390 /nfs/dbraw/zinc/25/33/90/823253390.db2.gz NHZJAZXJMZPYJK-HUUCEWRRSA-N 1 0 385.455 4.344 20 0 GIADRO COc1ccc([C@H](CNC(=O)c2cc(F)c(F)c(F)c2)[NH+]2CCCCC2)cc1 ZINC000409578867 823253560 /nfs/dbraw/zinc/25/35/60/823253560.db2.gz CBLYYNXEVLPRES-IBGZPJMESA-N 1 0 392.421 4.070 20 0 GIADRO Brc1ccc(-c2cnc(CN3CC4(CCC4)[C@H]4COC[C@H]43)o2)cc1 ZINC000459703802 823253608 /nfs/dbraw/zinc/25/36/08/823253608.db2.gz HHVQUFJGZWTRSD-JKSUJKDBSA-N 1 0 389.293 4.105 20 0 GIADRO CCN(C(C)=O)c1nc(C[NH2+]CC2(Cc3cccc(Cl)c3)CC2)cs1 ZINC000459708553 823254862 /nfs/dbraw/zinc/25/48/62/823254862.db2.gz KKPDLHGLIPOSBQ-UHFFFAOYSA-N 1 0 377.941 4.282 20 0 GIADRO C[NH+](C)Cc1c2ccccc2oc1C(=O)Nc1cccc(Oc2cccnn2)c1 ZINC000176653212 823257969 /nfs/dbraw/zinc/25/79/69/823257969.db2.gz CYHLCTGKDPCWLC-UHFFFAOYSA-N 1 0 388.427 4.329 20 0 GIADRO CC(C)NC(=O)Nc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000057154735 823256333 /nfs/dbraw/zinc/25/63/33/823256333.db2.gz CQKVEFUWIGQSAS-IBGZPJMESA-N 1 0 394.519 4.067 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)CCc2ccc(C(F)(F)F)cc2)[C@@H]1n1cccn1 ZINC000571945026 823258206 /nfs/dbraw/zinc/25/82/06/823258206.db2.gz PNHIOHYMZIGIMF-FZDIXFNVSA-N 1 0 381.442 4.231 20 0 GIADRO CCCCCCOc1ccc(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000057166163 823257584 /nfs/dbraw/zinc/25/75/84/823257584.db2.gz VXQBFIXFLJOWLT-UHFFFAOYSA-N 1 0 395.547 4.435 20 0 GIADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCC(c3nc4ccccc4s3)CC2)C1 ZINC000176629111 823252871 /nfs/dbraw/zinc/25/28/71/823252871.db2.gz XYENJTLMMBRKKX-DLBZAZTESA-N 1 0 386.565 4.058 20 0 GIADRO CO[C@](C)([C@H](C)[NH2+]CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)C1CC1 ZINC000411973509 823617229 /nfs/dbraw/zinc/61/72/29/823617229.db2.gz RUOBLOQRKDJOOF-XXFAHNHDSA-N 1 0 379.715 4.379 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1cccc(CO)c1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000121830081 823259319 /nfs/dbraw/zinc/25/93/19/823259319.db2.gz NUZXAPWSTMJNBC-IRXDYDNUSA-N 1 0 375.472 4.238 20 0 GIADRO CCc1nnc([C@@H](C)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)o1 ZINC000459746953 823259604 /nfs/dbraw/zinc/25/96/04/823259604.db2.gz GJQKOPYDIPYCJC-TYCQWZJGSA-N 1 0 394.494 4.090 20 0 GIADRO CO[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)C12CCC2 ZINC000459774765 823263168 /nfs/dbraw/zinc/26/31/68/823263168.db2.gz UHEFNFPWBJQRFZ-CHWSQXEVSA-N 1 0 377.699 4.133 20 0 GIADRO Cc1cnc([C@H](C)[NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)cn1 ZINC000459748827 823259959 /nfs/dbraw/zinc/25/99/59/823259959.db2.gz IGGVGXLZFYZPDB-JKFKMHIGSA-N 1 0 390.506 4.243 20 0 GIADRO Cc1cc(C[N@@H+]2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cc(C)c1O ZINC000571961451 823261050 /nfs/dbraw/zinc/26/10/50/823261050.db2.gz YIEICQZKZLCWSR-IBGZPJMESA-N 1 0 396.535 4.240 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCO[C@H]1c1cncc(Br)c1)C1CCC(F)(F)CC1 ZINC000459755856 823261036 /nfs/dbraw/zinc/26/10/36/823261036.db2.gz GEZJZXYRQARBNJ-LYRGGWFBSA-N 1 0 389.284 4.478 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1)[C@@H]1CCCOC1 ZINC000459759557 823261197 /nfs/dbraw/zinc/26/11/97/823261197.db2.gz SSNOZXMZZGYEOW-OLOOCYQZSA-N 1 0 382.523 4.198 20 0 GIADRO Cc1noc(C)c1C(=O)NCCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000176664188 823261194 /nfs/dbraw/zinc/26/11/94/823261194.db2.gz DWUQLNNDDGFYCP-UHFFFAOYSA-N 1 0 377.488 4.114 20 0 GIADRO CSc1ccc(C[NH2+][C@@H]2CCO[C@H]2c2cncc(Br)c2)cc1 ZINC000459757893 823261227 /nfs/dbraw/zinc/26/12/27/823261227.db2.gz HXRKYSRSMQJUHG-SJORKVTESA-N 1 0 379.323 4.186 20 0 GIADRO Cc1cc(N2CCCC2)ccc1NC(=O)C[N@@H+](C)[C@@H](C)Cc1cccc(F)c1 ZINC000459758545 823261246 /nfs/dbraw/zinc/26/12/46/823261246.db2.gz IIWDLGGPLMYQFW-SFHVURJKSA-N 1 0 383.511 4.236 20 0 GIADRO C[C@H]([NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1)[C@@H]1CCCOC1 ZINC000459759556 823261346 /nfs/dbraw/zinc/26/13/46/823261346.db2.gz SSNOZXMZZGYEOW-IZSMGAQTSA-N 1 0 382.523 4.198 20 0 GIADRO O=C(CC1CCOCC1)NCCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000176664988 823261557 /nfs/dbraw/zinc/26/15/57/823261557.db2.gz STROSOMDXUMATB-UHFFFAOYSA-N 1 0 380.532 4.012 20 0 GIADRO C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cn(C)c2cc(Cl)ccc12 ZINC000188557335 823261786 /nfs/dbraw/zinc/26/17/86/823261786.db2.gz MYXMURUZZQFCSC-JTSKRJEESA-N 1 0 396.966 4.269 20 0 GIADRO Fc1ccc(/C=C/C[NH2+][C@@H]2CCO[C@H]2c2cncc(Br)c2)cc1F ZINC000459763892 823261929 /nfs/dbraw/zinc/26/19/29/823261929.db2.gz MRKHRMRFLLFAQN-MNSDHWDNSA-N 1 0 395.247 4.255 20 0 GIADRO COCCCN(C(=O)C[C@@H]1C[C@@H](C(C)C)c2ccccc21)C1CC[NH+](C)CC1 ZINC000571968012 823262548 /nfs/dbraw/zinc/26/25/48/823262548.db2.gz ROBCVNXALRCEPS-CVDCTZTESA-N 1 0 386.580 4.263 20 0 GIADRO Cn1nccc1[C@@H]1CCC[C@H]([NH2+]Cc2cccc(NC(=O)C3CCCC3)c2)C1 ZINC000571969766 823262861 /nfs/dbraw/zinc/26/28/61/823262861.db2.gz PRSCBFWNLPINOI-UXHICEINSA-N 1 0 380.536 4.365 20 0 GIADRO CC(C)Oc1cccc(C[NH2+][C@@H]2CCO[C@H]2c2cncc(Br)c2)c1 ZINC000459775293 823263606 /nfs/dbraw/zinc/26/36/06/823263606.db2.gz XEOSRFPXMNWTFE-MOPGFXCFSA-N 1 0 391.309 4.251 20 0 GIADRO COc1ccc(C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1-c1ccccn1 ZINC000121858688 823264482 /nfs/dbraw/zinc/26/44/82/823264482.db2.gz RTJUVNNLHCXBSH-OALUTQOASA-N 1 0 395.547 4.245 20 0 GIADRO Cc1c(Br)ccc(NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)c1F ZINC000571978948 823264590 /nfs/dbraw/zinc/26/45/90/823264590.db2.gz INSALGGABIWPHT-UHFFFAOYSA-N 1 0 386.309 4.235 20 0 GIADRO C[C@@H](C[N@H+](C)CCC(=O)Nc1c(Cl)cccc1Cl)C(=O)OC(C)(C)C ZINC000459786963 823265208 /nfs/dbraw/zinc/26/52/08/823265208.db2.gz BUZYPTOPSPXWPB-LBPRGKRZSA-N 1 0 389.323 4.232 20 0 GIADRO COc1ccc(NC(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1SC ZINC000459786883 823265230 /nfs/dbraw/zinc/26/52/30/823265230.db2.gz XZZCNZXFGQXEIL-SJLPKXTDSA-N 1 0 399.560 4.449 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@H](C)c2ccccc2-n2cccn2)cc1NC(C)=O ZINC000121863617 823265334 /nfs/dbraw/zinc/26/53/34/823265334.db2.gz FSXJSDKIRVRWTI-JKSUJKDBSA-N 1 0 378.476 4.251 20 0 GIADRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)NC[C@H]1CCCC(F)(F)C1 ZINC000409626317 823265470 /nfs/dbraw/zinc/26/54/70/823265470.db2.gz HJZZQFGICUKAKW-IBGZPJMESA-N 1 0 379.495 4.023 20 0 GIADRO Cc1noc(-c2ccccc2)c1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000572010574 823268979 /nfs/dbraw/zinc/26/89/79/823268979.db2.gz COIAETHFNMCIMP-LJQANCHMSA-N 1 0 376.460 4.046 20 0 GIADRO CO[C@@](C)([C@H](C)[NH2+]CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C1CC1 ZINC000411978002 823617443 /nfs/dbraw/zinc/61/74/43/823617443.db2.gz YLNHMGWNLSNLPN-QFYYESIMSA-N 1 0 378.822 4.091 20 0 GIADRO COc1ccc([C@@H]([NH2+]Cc2c(C)nn(C)c2C)C(C)C)c(Br)c1 ZINC000571988840 823266198 /nfs/dbraw/zinc/26/61/98/823266198.db2.gz GOHZKKLQAWNKDE-SFHVURJKSA-N 1 0 380.330 4.295 20 0 GIADRO Brc1ccccc1-c1cnc(CN2CC[C@@H](C[NH+]3CCCC3)C2)o1 ZINC000121867315 823266398 /nfs/dbraw/zinc/26/63/98/823266398.db2.gz OAEYHKWXLMUHIO-HNNXBMFYSA-N 1 0 390.325 4.022 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCCC(F)(F)C1 ZINC000409629124 823266491 /nfs/dbraw/zinc/26/64/91/823266491.db2.gz GUTUPKCEDFBEAO-VQTJNVASSA-N 1 0 393.522 4.366 20 0 GIADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3csc(-c4cccc(C(F)(F)F)c4)n3)C[C@H]21 ZINC000571999343 823267525 /nfs/dbraw/zinc/26/75/25/823267525.db2.gz ADTIKWOPAHFWNB-BPLDGKMQSA-N 1 0 395.450 4.028 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)cc1F ZINC000121874792 823267693 /nfs/dbraw/zinc/26/76/93/823267693.db2.gz XJZXVASCUUCYIE-SJORKVTESA-N 1 0 394.412 4.326 20 0 GIADRO Cc1ccc2nc(C3CC3)cc(C(=O)NC3CC[NH+](CCOC(C)C)CC3)c2c1 ZINC000176686688 823267954 /nfs/dbraw/zinc/26/79/54/823267954.db2.gz CVPNNGWSTRLYCA-UHFFFAOYSA-N 1 0 395.547 4.040 20 0 GIADRO CSc1cc(C(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)ccc1F ZINC000572006879 823268539 /nfs/dbraw/zinc/26/85/39/823268539.db2.gz MDDLCSBLIAJHSJ-QFIPXVFZSA-N 1 0 384.520 4.286 20 0 GIADRO CN(C(=O)NCC1CC[NH2+]CC1)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000572015806 823269615 /nfs/dbraw/zinc/26/96/15/823269615.db2.gz WEOPMBDYKAYIRK-FQEVSTJZSA-N 1 0 389.902 4.210 20 0 GIADRO CC(C)OCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000176695454 823269885 /nfs/dbraw/zinc/26/98/85/823269885.db2.gz YZSGPFLZXOIODB-ZWKOTPCHSA-N 1 0 399.362 4.103 20 0 GIADRO CC[NH+]1CCC(CNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000572023327 823270697 /nfs/dbraw/zinc/27/06/97/823270697.db2.gz GZIHMCFHPDWILX-UHFFFAOYSA-N 1 0 382.348 4.186 20 0 GIADRO O=C(c1cccc2cnccc21)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000572027414 823271187 /nfs/dbraw/zinc/27/11/87/823271187.db2.gz ITWXHEATVSMVBJ-UHFFFAOYSA-N 1 0 385.511 4.363 20 0 GIADRO C[C@@H]([NH2+]C(C)(C)CNC(=O)C(C)(C)Cc1nc2ccccc2[nH]1)c1ccccc1 ZINC000409643268 823271360 /nfs/dbraw/zinc/27/13/60/823271360.db2.gz ANFUJJCLDNMTCM-QGZVFWFLSA-N 1 0 392.547 4.377 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)CC1 ZINC000057254995 823271760 /nfs/dbraw/zinc/27/17/60/823271760.db2.gz VKSKWUXSKJHVKA-UHFFFAOYSA-N 1 0 396.560 4.342 20 0 GIADRO Cc1ccc(NC(=O)C(=O)Nc2cccc3c2C[N@H+]([C@@H](C)C(C)C)C3)cc1C ZINC000188621955 823274761 /nfs/dbraw/zinc/27/47/61/823274761.db2.gz NXVQNAJZBFHNFT-KRWDZBQOSA-N 1 0 379.504 4.241 20 0 GIADRO OC[C@@H](C[NH2+][C@H]1CCCNc2ccccc21)Cc1ccc(Br)cc1 ZINC000572047307 823273664 /nfs/dbraw/zinc/27/36/64/823273664.db2.gz ANDNDFBBGHYCEB-UZLBHIALSA-N 1 0 389.337 4.137 20 0 GIADRO CC(C)n1ncc2cc(C[N@@H+]3CCCCC[C@@H]3C[C@H](O)c3ccco3)cnc21 ZINC000121903673 823273748 /nfs/dbraw/zinc/27/37/48/823273748.db2.gz NOZZJCLZHQPNRT-UXHICEINSA-N 1 0 382.508 4.474 20 0 GIADRO O=C([C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000409668340 823278933 /nfs/dbraw/zinc/27/89/33/823278933.db2.gz YKOWPSMFHBSLFZ-HLIPFELVSA-N 1 0 394.918 4.034 20 0 GIADRO Cc1cc(C)n(-c2ccc(C(=O)N3C[C@H]4CCC[N@@H+]4Cc4ccccc43)cc2)n1 ZINC000460021456 823279901 /nfs/dbraw/zinc/27/99/01/823279901.db2.gz KDBKDKFDAROLGF-JOCHJYFZSA-N 1 0 386.499 4.114 20 0 GIADRO Cc1ccc(NC(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)cc1C ZINC000409675384 823280491 /nfs/dbraw/zinc/28/04/91/823280491.db2.gz JXJPDVFVHNFVAV-UHFFFAOYSA-N 1 0 380.536 4.027 20 0 GIADRO C[C@H](NC(=O)c1cccc(C[NH+]2CCCC2)c1)c1nc(-c2ccncc2)cs1 ZINC000409657573 823275801 /nfs/dbraw/zinc/27/58/01/823275801.db2.gz OXMSVVVSOMGAKC-INIZCTEOSA-N 1 0 392.528 4.292 20 0 GIADRO CSC[C@H](C)NC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000572061783 823276327 /nfs/dbraw/zinc/27/63/27/823276327.db2.gz BCMPWWMILGSZBN-QKHUXGNCSA-N 1 0 396.000 4.305 20 0 GIADRO C[C@H](NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)c1ccc(Br)cn1 ZINC000572066086 823276921 /nfs/dbraw/zinc/27/69/21/823276921.db2.gz CLZZMYODQKPDFA-YWZLYKJASA-N 1 0 388.353 4.405 20 0 GIADRO COc1ccc([C@H]([NH2+]CCC(=O)N2CCCCC2)C(C)C)c(Br)c1 ZINC000572083766 823280646 /nfs/dbraw/zinc/28/06/46/823280646.db2.gz TWCQUHZOTCPUQU-LJQANCHMSA-N 1 0 397.357 4.147 20 0 GIADRO C[C@H](C(=O)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21)[C@H]1OCCc2sccc21 ZINC000460027307 823280915 /nfs/dbraw/zinc/28/09/15/823280915.db2.gz QAVNCCJTXDJEHT-HZUJVAHNSA-N 1 0 382.529 4.009 20 0 GIADRO O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)Nc1cccc(Cl)c1 ZINC000409678195 823281111 /nfs/dbraw/zinc/28/11/11/823281111.db2.gz FWAMJFQBOLZIKU-UHFFFAOYSA-N 1 0 386.927 4.064 20 0 GIADRO FC(F)(F)c1ccc(C2(C[NH2+]C3CCN(Cc4ccccn4)CC3)CC2)cc1 ZINC000188657941 823281579 /nfs/dbraw/zinc/28/15/79/823281579.db2.gz GJWOGPXBYTXVIR-UHFFFAOYSA-N 1 0 389.465 4.386 20 0 GIADRO CC[NH+](CC)CCOC(=O)c1ccc(NC(=S)Nc2ccc(C)cc2)cc1 ZINC000006629859 817712683 /nfs/dbraw/zinc/71/26/83/817712683.db2.gz DDDBGWYTABRUAD-UHFFFAOYSA-N 1 0 385.533 4.303 20 0 GIADRO Cc1ccc([C@H](OC[C@@H](O)C[NH2+]CC2(C(F)(F)F)CC2)c2ccccc2)cc1 ZINC000572114849 823285620 /nfs/dbraw/zinc/28/56/20/823285620.db2.gz LMVFILKWISLODS-VQTJNVASSA-N 1 0 393.449 4.394 20 0 GIADRO c1ccc(CN2CCC([NH2+][C@@H]3CCCOc4cc5c(cc43)CCC5)CC2)nc1 ZINC000121947712 823282886 /nfs/dbraw/zinc/28/28/86/823282886.db2.gz VGHNUAOGJYRXRK-HSZRJFAPSA-N 1 0 377.532 4.038 20 0 GIADRO Brc1cccc(-c2c[nH]c(C[NH2+][C@@H]3CCO[C@H]3c3ccccc3)n2)c1 ZINC000176745185 823283171 /nfs/dbraw/zinc/28/31/71/823283171.db2.gz MGXPCUSZNIKOLO-XLIONFOSSA-N 1 0 398.304 4.459 20 0 GIADRO C[C@@H](NC(=O)C[N@@H+]1CC[C@H](c2ccncc2)C1)c1ccc(Cl)cc1Cl ZINC000572100118 823283266 /nfs/dbraw/zinc/28/32/66/823283266.db2.gz MJNKDUWGEGPMSY-HIFRSBDPSA-N 1 0 378.303 4.055 20 0 GIADRO CCc1ccc([C@@H](CNC(=O)C2(c3ccccc3C)CCOCC2)[NH+](C)C)cc1 ZINC000057383183 823285748 /nfs/dbraw/zinc/28/57/48/823285748.db2.gz HXNLLNSRUVLGET-HSZRJFAPSA-N 1 0 394.559 4.025 20 0 GIADRO CCC(CC)(CNC(=O)c1cnc2cnccc2c1)[NH2+][C@H](C)c1ccccc1 ZINC000409690434 823283835 /nfs/dbraw/zinc/28/38/35/823283835.db2.gz FSYPCNZLBBTIQL-QGZVFWFLSA-N 1 0 376.504 4.269 20 0 GIADRO CC[NH+]1CCC(N(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)C2CC2)CC1 ZINC000057371758 823283897 /nfs/dbraw/zinc/28/38/97/823283897.db2.gz GFOAYHYVJIJDLB-UHFFFAOYSA-N 1 0 391.515 4.028 20 0 GIADRO C[NH+](C)Cc1ccccc1CNC(=O)COc1ccccc1Cc1ccccc1 ZINC000006992641 817736668 /nfs/dbraw/zinc/73/66/68/817736668.db2.gz LOBSEKHWPXTHCT-UHFFFAOYSA-N 1 0 388.511 4.034 20 0 GIADRO Cc1ccc2nc(C[NH2+][C@H](C)CC(=O)Nc3cccc(C(F)(F)F)c3)cn2c1 ZINC000572107983 823284238 /nfs/dbraw/zinc/28/42/38/823284238.db2.gz CHBDDRSHZJGWFG-CQSZACIVSA-N 1 0 390.409 4.168 20 0 GIADRO C[C@H](C(=O)NCc1ccc(F)c(C[NH+](C)C)c1)c1ccc(C(F)(F)F)cc1 ZINC000409700994 823285915 /nfs/dbraw/zinc/28/59/15/823285915.db2.gz XUKBJEYHOXUNCE-ZDUSSCGKSA-N 1 0 382.401 4.326 20 0 GIADRO O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[NH+](CC2CC2)CC1 ZINC000409702514 823286118 /nfs/dbraw/zinc/28/61/18/823286118.db2.gz VHTGWWXFYJMFDF-UHFFFAOYSA-N 1 0 395.347 4.284 20 0 GIADRO COc1ccccc1[C@H](C[NH2+]Cc1cc(Cl)ccc1OC(F)F)N(C)C ZINC000409723457 823291377 /nfs/dbraw/zinc/29/13/77/823291377.db2.gz SMGZNXMINQBHDI-INIZCTEOSA-N 1 0 384.854 4.343 20 0 GIADRO CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]Cc1ccc(CS(C)(=O)=O)cc1 ZINC000121977787 823287900 /nfs/dbraw/zinc/28/79/00/823287900.db2.gz JTJGQNGZAYYTIR-NRFANRHFSA-N 1 0 387.545 4.358 20 0 GIADRO CCN1CCC([NH+]2CCC(C(=O)N[C@H]3CCC[C@H](c4ccccc4)C3)CC2)CC1 ZINC000572132876 823288205 /nfs/dbraw/zinc/28/82/05/823288205.db2.gz QEPRDDVSIVUXPB-GOTSBHOMSA-N 1 0 397.607 4.025 20 0 GIADRO CC(C)C[C@@H](NC(=O)NC1CC[NH+](Cc2ccncc2)CC1)c1cccs1 ZINC000057393003 823288949 /nfs/dbraw/zinc/28/89/49/823288949.db2.gz CVHSRAIKMITGKB-LJQANCHMSA-N 1 0 386.565 4.194 20 0 GIADRO O=C(Cc1c[nH]c2ccccc12)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000572140310 823288956 /nfs/dbraw/zinc/28/89/56/823288956.db2.gz CKXYVWINTKDENU-UHFFFAOYSA-N 1 0 387.527 4.225 20 0 GIADRO CC(C)(C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1ccccc1Br ZINC000409714801 823289145 /nfs/dbraw/zinc/28/91/45/823289145.db2.gz WZHUAWQUQDKTSO-INIZCTEOSA-N 1 0 393.369 4.204 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2OC)cc1OCC ZINC000007266823 817807720 /nfs/dbraw/zinc/80/77/20/817807720.db2.gz LXAOOPXEHPHENA-HOTGVXAUSA-N 1 0 386.492 4.170 20 0 GIADRO CCC[NH+]1CCC(NC(=O)Nc2ccnn2Cc2ccc(C(C)C)cc2)CC1 ZINC000460125707 823290014 /nfs/dbraw/zinc/29/00/14/823290014.db2.gz XXSQVIOITWPLAN-UHFFFAOYSA-N 1 0 383.540 4.051 20 0 GIADRO O=C(N[C@@H](c1c(Cl)cccc1Cl)C1CC1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000460130080 823290829 /nfs/dbraw/zinc/29/08/29/823290829.db2.gz KTVBAKMWQUNCMM-QWQRMKEZSA-N 1 0 382.335 4.371 20 0 GIADRO CCN(C(=O)Nc1ccccc1OC(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000460129964 823290982 /nfs/dbraw/zinc/29/09/82/823290982.db2.gz WUARSABFKYJIHL-QGZVFWFLSA-N 1 0 389.446 4.416 20 0 GIADRO COc1cccc([C@@H](CNC(=O)Nc2ccc(Cl)cc2Cl)[NH+](C)C)c1 ZINC000057407028 823292284 /nfs/dbraw/zinc/29/22/84/823292284.db2.gz YNNYVDGDMUYJKB-QGZVFWFLSA-N 1 0 382.291 4.426 20 0 GIADRO CSc1ccccc1NC(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000176786186 823292283 /nfs/dbraw/zinc/29/22/83/823292283.db2.gz IIUBSGSBDPETIG-CALCHBBNSA-N 1 0 391.581 4.152 20 0 GIADRO O=C(Cc1csc(-c2ccoc2)n1)OCC1CC[NH+](Cc2ccccc2)CC1 ZINC000122006612 823292343 /nfs/dbraw/zinc/29/23/43/823292343.db2.gz VZMJQNRYOHKWKR-UHFFFAOYSA-N 1 0 396.512 4.401 20 0 GIADRO CCOc1ccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1OC ZINC000007448501 817844321 /nfs/dbraw/zinc/84/43/21/817844321.db2.gz YQQWXKFRTQPIIF-UHFFFAOYSA-N 1 0 382.504 4.010 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]Cc2cccc(CSC)c2)c1 ZINC000188722361 823292801 /nfs/dbraw/zinc/29/28/01/823292801.db2.gz ONDWIFRHMHOCPP-OAHLLOKOSA-N 1 0 388.533 4.074 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]Cc2cccc(CSC)c2)c1 ZINC000188722343 823292970 /nfs/dbraw/zinc/29/29/70/823292970.db2.gz ONDWIFRHMHOCPP-HNNXBMFYSA-N 1 0 388.533 4.074 20 0 GIADRO CCN(C(=O)Nc1cc(F)c(F)c(F)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000460136130 823292999 /nfs/dbraw/zinc/29/29/99/823292999.db2.gz XEISFJAGPUGZQH-MRXNPFEDSA-N 1 0 377.410 4.232 20 0 GIADRO COC(=O)c1cc(C[NH2+]Cc2ccccc2COc2ccccc2Cl)cn1C ZINC000572166043 823293359 /nfs/dbraw/zinc/29/33/59/823293359.db2.gz ZOYYQVMLBBBAHT-UHFFFAOYSA-N 1 0 398.890 4.334 20 0 GIADRO CCCOc1ccc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)cc1OCC ZINC000572167131 823293439 /nfs/dbraw/zinc/29/34/39/823293439.db2.gz QZIGAMATZBNMPK-SFHVURJKSA-N 1 0 375.431 4.153 20 0 GIADRO C[N@H+](CCCNC(=S)Nc1ccc(OC(F)F)cc1)Cc1ccccc1 ZINC000007500892 817856141 /nfs/dbraw/zinc/85/61/41/817856141.db2.gz YZDZICBKSBBFLH-UHFFFAOYSA-N 1 0 379.476 4.097 20 0 GIADRO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)C[C@@H]1C=CCCC1 ZINC000188727100 823294019 /nfs/dbraw/zinc/29/40/19/823294019.db2.gz YUMCRSNBIRYZSM-CTNGQTDRSA-N 1 0 378.520 4.323 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)N1CCCc2occc2C1 ZINC000460139287 823294187 /nfs/dbraw/zinc/29/41/87/823294187.db2.gz LSNWEDJPYDQHNM-UHFFFAOYSA-N 1 0 381.520 4.314 20 0 GIADRO COc1cccc(NC(=S)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)c1 ZINC000007559723 817869389 /nfs/dbraw/zinc/86/93/89/817869389.db2.gz NYBUCFLURJXZMC-LJQANCHMSA-N 1 0 389.952 4.472 20 0 GIADRO CCS(=O)(=O)c1ccc(N2CCC([NH2+][C@H](C)c3ccc(C)cc3)CC2)cc1 ZINC000122021857 823294600 /nfs/dbraw/zinc/29/46/00/823294600.db2.gz NIKZYHHATUWRBM-GOSISDBHSA-N 1 0 386.561 4.108 20 0 GIADRO COc1ccc([C@@H](CNC(=S)Nc2cccc(OC)c2)[NH+]2CCCCC2)cc1 ZINC000007585205 817874864 /nfs/dbraw/zinc/87/48/64/817874864.db2.gz GPSLWJJYDWPHJT-OAQYLSRUSA-N 1 0 399.560 4.217 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CCCc2nc(-c3cccs3)no2)c(C)c1OC ZINC000572193511 823297760 /nfs/dbraw/zinc/29/77/60/823297760.db2.gz BODGZAMGPQQXMN-AWEZNQCLSA-N 1 0 387.505 4.407 20 0 GIADRO CCN(C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)[C@H]1CCOC(C)(C)C1 ZINC000460140239 823294916 /nfs/dbraw/zinc/29/49/16/823294916.db2.gz ASRZZCHCGLSSBJ-LEWJYISDSA-N 1 0 387.568 4.030 20 0 GIADRO Cc1cccc2nc(C[N@H+](Cc3ccc(F)cc3)C3CCCCC3)cc(=O)n12 ZINC000007607280 817878851 /nfs/dbraw/zinc/87/88/51/817878851.db2.gz CMFVJDNGUOJRKI-UHFFFAOYSA-N 1 0 379.479 4.477 20 0 GIADRO COc1ccc([C@H](CNC(=S)Nc2ccc(F)cc2)[NH+]2CCCCC2)cc1 ZINC000007678677 817893257 /nfs/dbraw/zinc/89/32/57/817893257.db2.gz MZSFXIIOXRTTTR-FQEVSTJZSA-N 1 0 387.524 4.348 20 0 GIADRO CCCOc1ccccc1NC(=O)N(Cc1ccncc1)C[C@@H]1CCC[N@@H+]1CC ZINC000176803115 823296662 /nfs/dbraw/zinc/29/66/62/823296662.db2.gz FJEYLZRKZNOBCX-FQEVSTJZSA-N 1 0 396.535 4.389 20 0 GIADRO Cc1oc(-c2ccccc2)c(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1C ZINC000188745617 823296712 /nfs/dbraw/zinc/29/67/12/823296712.db2.gz DORUDCGZZPTOLE-RTWAWAEBSA-N 1 0 396.531 4.061 20 0 GIADRO C[C@@H]1CCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000122035680 823297101 /nfs/dbraw/zinc/29/71/01/823297101.db2.gz ZCHDMKMDBSIZJZ-ZRGWGRIASA-N 1 0 395.469 4.282 20 0 GIADRO O=C(NC1CCN(c2ccccn2)CC1)C1(Cc2cccs2)CCCCC1 ZINC000572208628 823300311 /nfs/dbraw/zinc/30/03/11/823300311.db2.gz WRJIKPUROYBNRL-UHFFFAOYSA-N 1 0 383.561 4.421 20 0 GIADRO COc1ccc(C2=NN(C(=O)C[N@H+](C)C3CCCCC3)[C@@H](c3ccco3)C2)cc1 ZINC000007786431 817914760 /nfs/dbraw/zinc/91/47/60/817914760.db2.gz MQZAVBCRYOFYQW-OAQYLSRUSA-N 1 0 395.503 4.230 20 0 GIADRO O=C(CC[N@@H+]1CCC[C@H](c2nccs2)C1)Nc1cccc(C(F)(F)F)c1 ZINC000176817086 823300916 /nfs/dbraw/zinc/30/09/16/823300916.db2.gz WXBOTXRYMDKLJD-ZDUSSCGKSA-N 1 0 383.439 4.370 20 0 GIADRO CC[NH+](CC)C[C@H]1CCN(C(=O)C(Cc2ccccc2)Cc2ccccc2)C1 ZINC000409760553 823301038 /nfs/dbraw/zinc/30/10/38/823301038.db2.gz KJVDHBDCBGMVHY-HSZRJFAPSA-N 1 0 378.560 4.278 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)CCC(=O)c2ccc(C)c(C)c2)cc1 ZINC000007829244 817927898 /nfs/dbraw/zinc/92/78/98/817927898.db2.gz PBKIAMHTVGBLLK-UHFFFAOYSA-N 1 0 380.532 4.425 20 0 GIADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)N(C)[C@H]2CC[C@@H](C(F)(F)F)CC2)C1 ZINC000460159759 823301613 /nfs/dbraw/zinc/30/16/13/823301613.db2.gz CJIXWSSJKIYFNN-ZACQAIPSSA-N 1 0 377.495 4.261 20 0 GIADRO FC(F)(F)Oc1ccccc1C1(F)CC[NH+](Cc2c[nH]c3nccnc23)CC1 ZINC000572211729 823301647 /nfs/dbraw/zinc/30/16/47/823301647.db2.gz BBKKUYURCUUDQL-UHFFFAOYSA-N 1 0 394.372 4.269 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cccn2-c2c(Cl)cccc2Cl)C1 ZINC000409763392 823301765 /nfs/dbraw/zinc/30/17/65/823301765.db2.gz HDHYTXZSDQCQOP-AWEZNQCLSA-N 1 0 380.319 4.198 20 0 GIADRO CN(C(=O)NC[C@H](C1CCCCC1)[NH+](C)C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000460163609 823302441 /nfs/dbraw/zinc/30/24/41/823302441.db2.gz AOYIWPPBBDCLQV-IXDOHACOSA-N 1 0 377.495 4.259 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(C)cc2)cc1Br ZINC000007879199 817947527 /nfs/dbraw/zinc/94/75/27/817947527.db2.gz NZPYXMKTBRPLNT-CYBMUJFWSA-N 1 0 377.282 4.055 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2c(F)cccc2F)cc1Br ZINC000007879220 817947565 /nfs/dbraw/zinc/94/75/65/817947565.db2.gz DGJDAIZYULYWGI-JTQLQIEISA-N 1 0 399.235 4.025 20 0 GIADRO Cc1cccnc1[C@@H](NC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000176810657 823298740 /nfs/dbraw/zinc/29/87/40/823298740.db2.gz ADSDZTANRXONBE-VXKWHMMOSA-N 1 0 394.563 4.251 20 0 GIADRO CC[C@@H]([NH2+]C1CCN(c2ccccc2S(=O)(=O)CC)CC1)c1cccs1 ZINC000122051014 823299077 /nfs/dbraw/zinc/29/90/77/823299077.db2.gz FWTZDWRUSAHDBO-QGZVFWFLSA-N 1 0 392.590 4.251 20 0 GIADRO CCOC1CC(CC[NH2+]Cc2c(C)nn(Cc3ccc(F)cc3)c2Cl)C1 ZINC000188776968 823302998 /nfs/dbraw/zinc/30/29/98/823302998.db2.gz UDICYRPWXTYVPO-UHFFFAOYSA-N 1 0 379.907 4.327 20 0 GIADRO CCOC1CC(CC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000188779620 823303524 /nfs/dbraw/zinc/30/35/24/823303524.db2.gz PCKDDILYAAEGSN-UHFFFAOYSA-N 1 0 376.504 4.229 20 0 GIADRO CCOc1ccc(N2C(=O)c3ccccc3C(=CNc3cc[nH+]cc3)C2=O)cc1 ZINC000008178677 818012979 /nfs/dbraw/zinc/01/29/79/818012979.db2.gz RDALRUBFFIFYQH-QNGOZBTKSA-N 1 0 385.423 4.120 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1csc(-c2ccc(F)cc2)n1 ZINC000008185151 818014616 /nfs/dbraw/zinc/01/46/16/818014616.db2.gz FYCBJIGBROLWHC-UHFFFAOYSA-N 1 0 395.503 4.475 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCCc3occc3C2)C1 ZINC000460172394 823305266 /nfs/dbraw/zinc/30/52/66/823305266.db2.gz XZAQYGOJCSMIQK-GOSISDBHSA-N 1 0 381.520 4.170 20 0 GIADRO CC(=O)N1CCC[C@@H](C[NH2+]Cc2cnn(C3CCCC3)c2-c2ccccc2)C1 ZINC000572233386 823305354 /nfs/dbraw/zinc/30/53/54/823305354.db2.gz JRBNUFHXTGUBAO-IBGZPJMESA-N 1 0 380.536 4.013 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1cc(NC(=O)C2CC2)ccc1C)CC(C)C ZINC000057545338 823308717 /nfs/dbraw/zinc/30/87/17/823308717.db2.gz XZXAKEPFYORZES-LJQANCHMSA-N 1 0 388.556 4.222 20 0 GIADRO CC1CC[NH+](Cc2ccccc2CNC(=O)N2CCCc3occc3C2)CC1 ZINC000460175619 823306019 /nfs/dbraw/zinc/30/60/19/823306019.db2.gz SASVEKHHNPQMKU-UHFFFAOYSA-N 1 0 381.520 4.170 20 0 GIADRO CCn1c(-c2cc(C)nc3ccccc32)nnc1N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000460182924 823308782 /nfs/dbraw/zinc/30/87/82/823308782.db2.gz HXEGYKQZQOWSCM-ROUUACIJSA-N 1 0 392.551 4.131 20 0 GIADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(Cc2ccccc2)Cc2ccccc2)C1 ZINC000409784879 823306820 /nfs/dbraw/zinc/30/68/20/823306820.db2.gz DIIBRLXMVKHIRU-DEOSSOPVSA-N 1 0 390.571 4.278 20 0 GIADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(Cc2ccccc2)Cc2ccccc2)C1 ZINC000409784881 823306843 /nfs/dbraw/zinc/30/68/43/823306843.db2.gz DIIBRLXMVKHIRU-XMMPIXPASA-N 1 0 390.571 4.278 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N(C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000460178624 823307144 /nfs/dbraw/zinc/30/71/44/823307144.db2.gz ZOJKDPLGNVTBHQ-YESZJQIVSA-N 1 0 377.495 4.404 20 0 GIADRO COCCC1(CNC(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)CCCC1 ZINC000122107605 823307351 /nfs/dbraw/zinc/30/73/51/823307351.db2.gz USXVEKKTXVWOEE-PKOBYXMFSA-N 1 0 393.597 4.027 20 0 GIADRO C[NH+](C)CCCC1CCN(C(=O)Nc2ccc(Oc3cccnc3)cc2)CC1 ZINC000572248499 823307415 /nfs/dbraw/zinc/30/74/15/823307415.db2.gz GUHQWGJCVUOQCB-UHFFFAOYSA-N 1 0 382.508 4.460 20 0 GIADRO C[C@@H]([NH2+]CC(c1ccccc1)c1ccccc1)C(=O)Nc1cccnc1Cl ZINC000011046740 818047883 /nfs/dbraw/zinc/04/78/83/818047883.db2.gz IBRZVUWCKBVIKS-MRXNPFEDSA-N 1 0 379.891 4.484 20 0 GIADRO Cc1oc(-c2ccccc2)nc1C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000011057299 818048345 /nfs/dbraw/zinc/04/83/45/818048345.db2.gz AWVXPKNHIUKVQM-UHFFFAOYSA-N 1 0 391.471 4.206 20 0 GIADRO Cc1ccc(C[N@@H+]2CCCN(C(=S)Nc3ccc(F)cc3F)CC2)cc1 ZINC000011085009 818051492 /nfs/dbraw/zinc/05/14/92/818051492.db2.gz FHOFODCLQRIXIA-UHFFFAOYSA-N 1 0 375.488 4.178 20 0 GIADRO Cc1ccc(C)c(C(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000176845861 823307902 /nfs/dbraw/zinc/30/79/02/823307902.db2.gz ZSTCZNUHLDZPFN-UHFFFAOYSA-N 1 0 380.532 4.105 20 0 GIADRO Cc1ccc(C(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)c(C)c1 ZINC000176846010 823308068 /nfs/dbraw/zinc/30/80/68/823308068.db2.gz NXOODYLRKPDFQL-UHFFFAOYSA-N 1 0 380.532 4.105 20 0 GIADRO C[NH+](C)CCSc1nc2scc(-c3ccco3)c2c(=O)n1-c1ccccc1 ZINC000409790152 823308119 /nfs/dbraw/zinc/30/81/19/823308119.db2.gz PVFDRRFIHNHSSA-UHFFFAOYSA-N 1 0 397.525 4.361 20 0 GIADRO CSc1ccc(C(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000176847331 823308250 /nfs/dbraw/zinc/30/82/50/823308250.db2.gz LHVGFJHYMHSNNG-UHFFFAOYSA-N 1 0 398.572 4.210 20 0 GIADRO Cn1cc(C[C@@H]2CC[N@H+](CCSc3ccnc4cc(Cl)ccc43)C2)cn1 ZINC000122122274 823309269 /nfs/dbraw/zinc/30/92/69/823309269.db2.gz LHLVFSSXYNNEPR-HNNXBMFYSA-N 1 0 386.952 4.278 20 0 GIADRO O=C(NC1CC1)[C@@H]([NH2+]CCCSc1ccc(F)cc1)c1ccc(F)cc1 ZINC000011256969 818066238 /nfs/dbraw/zinc/06/62/38/818066238.db2.gz VUMPLUFOPQHRSX-IBGZPJMESA-N 1 0 376.472 4.057 20 0 GIADRO CCc1ccc(C(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000176851417 823309606 /nfs/dbraw/zinc/30/96/06/823309606.db2.gz IUHFZALPQIDMTD-UHFFFAOYSA-N 1 0 386.561 4.112 20 0 GIADRO CC[C@@H](NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)c1ccccc1OC(F)F ZINC000057613085 823314720 /nfs/dbraw/zinc/31/47/20/823314720.db2.gz LQTCGKUTQZSDEY-MRXNPFEDSA-N 1 0 383.483 4.255 20 0 GIADRO CCN(c1nnc(-c2cccnc2)n1CC)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000460187848 823310353 /nfs/dbraw/zinc/31/03/53/823310353.db2.gz GXVIKIAVBHQXGR-RXVVDRJESA-N 1 0 390.535 4.022 20 0 GIADRO Cn1c(C[NH2+]CCc2coc(-c3ccc(F)cc3)n2)nc2cc(Cl)ccc21 ZINC000122159997 823314874 /nfs/dbraw/zinc/31/48/74/823314874.db2.gz VGDDWQZMORFNEE-UHFFFAOYSA-N 1 0 384.842 4.353 20 0 GIADRO COc1ccc(CN(C)C(=O)C[N@H+](Cc2ccccc2)[C@H](C)C2CC2)cc1F ZINC000057566766 823310559 /nfs/dbraw/zinc/31/05/59/823310559.db2.gz LWHQPLBSGPNDJX-QGZVFWFLSA-N 1 0 384.495 4.093 20 0 GIADRO COCc1ccccc1C(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000057587142 823312282 /nfs/dbraw/zinc/31/22/82/823312282.db2.gz OCPQBHAFYTWNFZ-RTBURBONSA-N 1 0 380.532 4.241 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N[C@H]1CCSc2c(F)cccc21 ZINC000011761855 818117270 /nfs/dbraw/zinc/11/72/70/818117270.db2.gz UEJJHAUEABAZCE-FQEVSTJZSA-N 1 0 399.535 4.458 20 0 GIADRO C[C@@H]1C[NH+](CCCNC(=O)Nc2ccc3c(c2)oc2ccccc23)C[C@@H](C)O1 ZINC000057598379 823313061 /nfs/dbraw/zinc/31/30/61/823313061.db2.gz PRZZDNNINKQNAH-HZPDHXFCSA-N 1 0 381.476 4.207 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)[C@H](C)C1 ZINC000122150811 823313511 /nfs/dbraw/zinc/31/35/11/823313511.db2.gz WYTWUUIFGLVPRZ-CRAIPNDOSA-N 1 0 389.927 4.116 20 0 GIADRO COc1ccc(C[C@H](C)C[N@H+](C)Cc2nc(-c3cccs3)no2)cc1F ZINC000572286418 823313650 /nfs/dbraw/zinc/31/36/50/823313650.db2.gz ITECVSMTAXHWTA-ZDUSSCGKSA-N 1 0 375.469 4.256 20 0 GIADRO CC[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccc(OC)c(Br)c1 ZINC000057621764 823315628 /nfs/dbraw/zinc/31/56/28/823315628.db2.gz VXQDGOHOGXSROH-UHFFFAOYSA-N 1 0 378.266 4.209 20 0 GIADRO CC[C@H](C)[NH2+][C@H](CNC(=O)[C@@H]1CCN(c2ccccc2Cl)C1)c1ccco1 ZINC000572296793 823315654 /nfs/dbraw/zinc/31/56/54/823315654.db2.gz UOSRAUKHYFSDOV-LZLYRXPVSA-N 1 0 389.927 4.005 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)CC3CC(c4ccccc4)C3)nc2)CC1 ZINC000409818123 823316028 /nfs/dbraw/zinc/31/60/28/823316028.db2.gz BEXXIQJTOFLOKO-UHFFFAOYSA-N 1 0 392.547 4.134 20 0 GIADRO C[NH+]1CCN(c2ccccc2NC(=O)c2ccc(-c3ccccc3F)o2)CC1 ZINC000057623238 823316170 /nfs/dbraw/zinc/31/61/70/823316170.db2.gz OWAOHEVGBMLKTR-UHFFFAOYSA-N 1 0 379.435 4.090 20 0 GIADRO CC(C)(C)NC(=O)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000057624510 823316415 /nfs/dbraw/zinc/31/64/15/823316415.db2.gz QTINFPGZCXPZHV-UHFFFAOYSA-N 1 0 396.922 4.197 20 0 GIADRO C[NH+](C)CC1(C(=O)Nc2ccc(F)cc2OCC(F)(F)F)CCCCC1 ZINC000460205132 823316522 /nfs/dbraw/zinc/31/65/22/823316522.db2.gz WAEIWSKHVGNPBU-UHFFFAOYSA-N 1 0 376.394 4.217 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)c2cccnc2C(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000188848998 823317115 /nfs/dbraw/zinc/31/71/15/823317115.db2.gz FZZVAYVYQTYIPI-RDJZCZTQSA-N 1 0 391.437 4.226 20 0 GIADRO Cc1ccc(CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)c(OC(C)(C)C)c1 ZINC000122175818 823317233 /nfs/dbraw/zinc/31/72/33/823317233.db2.gz UBIAMTVCFRPEGI-UHFFFAOYSA-N 1 0 375.557 4.234 20 0 GIADRO O=C(CN1CCC(OCC2CCCCC2)CC1)N[C@H](c1ccccc1)C1CC1 ZINC000572326036 823320498 /nfs/dbraw/zinc/32/04/98/823320498.db2.gz NWTUHOSTFINBRQ-XMMPIXPASA-N 1 0 384.564 4.315 20 0 GIADRO Cc1oc(-c2ccccc2)nc1C[N@@H+]1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 ZINC000122187049 823318530 /nfs/dbraw/zinc/31/85/30/823318530.db2.gz FQSOVRMLXLROQQ-LJQANCHMSA-N 1 0 390.487 4.204 20 0 GIADRO Cc1nc(CC(C)C)oc1C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000188866794 823319855 /nfs/dbraw/zinc/31/98/55/823319855.db2.gz VMUQVGPOIPKMMP-QAPCUYQASA-N 1 0 375.538 4.056 20 0 GIADRO CCn1c(Cc2cccc3ccccc32)nnc1N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000460215112 823319781 /nfs/dbraw/zinc/31/97/81/823319781.db2.gz WYPMQXGJNHDZAM-WIYYLYMNSA-N 1 0 391.563 4.351 20 0 GIADRO COc1ccc(Br)cc1C[NH2+]C[C@H](c1ccccc1)N1CCCC1 ZINC000057681767 823321097 /nfs/dbraw/zinc/32/10/97/823321097.db2.gz NZKMVGPLQSDSGQ-LJQANCHMSA-N 1 0 389.337 4.384 20 0 GIADRO CC1=CC[N@H+](CCNC(=O)N2CCc3sccc3[C@H]2c2cccs2)CC1 ZINC000460219095 823321150 /nfs/dbraw/zinc/32/11/50/823321150.db2.gz XFXIRQYXRBNVNU-IBGZPJMESA-N 1 0 387.574 4.119 20 0 GIADRO Cc1cccc2c1OCC[C@H]2[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000188874581 823321353 /nfs/dbraw/zinc/32/13/53/823321353.db2.gz VFTWGQFLMRWRDR-OAHLLOKOSA-N 1 0 376.250 4.100 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Nc1ccn2ccnc2c1 ZINC000572327370 823321482 /nfs/dbraw/zinc/32/14/82/823321482.db2.gz DWYOGUPMTVCRJO-KRWDZBQOSA-N 1 0 377.492 4.030 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)C2(c3cccc(C(F)(F)F)c3)CC2)cc1F ZINC000122242565 823326676 /nfs/dbraw/zinc/32/66/76/823326676.db2.gz TVQQMMWEWGZHMP-UHFFFAOYSA-N 1 0 394.412 4.254 20 0 GIADRO Cc1ccc(Cl)c(NC(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000122207909 823321734 /nfs/dbraw/zinc/32/17/34/823321734.db2.gz CQQLHSYRDNOOOX-UHFFFAOYSA-N 1 0 379.932 4.005 20 0 GIADRO CC[NH+]1CCC(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2C)CC1 ZINC000014523582 818249187 /nfs/dbraw/zinc/24/91/87/818249187.db2.gz XDXSXQZZWHXDOD-UHFFFAOYSA-N 1 0 388.515 4.062 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)COc2ccc(Oc3ccccc3)cc2)cc1 ZINC000014529576 818249662 /nfs/dbraw/zinc/24/96/62/818249662.db2.gz WASRYXMOBUAFFP-UHFFFAOYSA-N 1 0 390.483 4.236 20 0 GIADRO COC(=O)c1ccc(C)c(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2SC)c1 ZINC000409844219 823323389 /nfs/dbraw/zinc/32/33/89/823323389.db2.gz RDKFEZHWPPKAQF-CABCVRRESA-N 1 0 386.517 4.181 20 0 GIADRO COc1ccc(-c2ccc(C(=O)Nc3cc(C[NH+](C)C)ccn3)c(F)c2)cc1 ZINC000176915166 823323448 /nfs/dbraw/zinc/32/34/48/823323448.db2.gz GYTURRYTYMKPLB-UHFFFAOYSA-N 1 0 379.435 4.210 20 0 GIADRO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH2+][C@@H]1CCOc2c(Br)cccc21 ZINC000409845361 823323887 /nfs/dbraw/zinc/32/38/87/823323887.db2.gz YXOKJBKTJYECNG-CKEIUWERSA-N 1 0 395.341 4.042 20 0 GIADRO Cc1ccc(OC[C@@H](O)C[NH+]2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000014789004 818265847 /nfs/dbraw/zinc/26/58/47/818265847.db2.gz BKYJYFGLAJXYCS-SFHVURJKSA-N 1 0 382.529 4.224 20 0 GIADRO CCN(CCC[NH+](C)C)C(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1 ZINC000188893828 823324377 /nfs/dbraw/zinc/32/43/77/823324377.db2.gz RDXKPKSOEYNGRC-UHFFFAOYSA-N 1 0 392.503 4.126 20 0 GIADRO CC1(C)CC(NC(=O)COc2ccccc2Cc2ccccc2)CC(C)(C)[NH2+]1 ZINC000014831459 818270449 /nfs/dbraw/zinc/27/04/49/818270449.db2.gz SAEHSOZVXHDLHG-UHFFFAOYSA-N 1 0 380.532 4.082 20 0 GIADRO Cc1ncsc1/C=C/C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000188896652 823324636 /nfs/dbraw/zinc/32/46/36/823324636.db2.gz JLUHVRODYGCDJZ-VOTSOKGWSA-N 1 0 389.952 4.147 20 0 GIADRO Cc1cccnc1C(C)(C)CNC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000460230657 823324677 /nfs/dbraw/zinc/32/46/77/823324677.db2.gz HLXIOPFSSUELPH-GOSISDBHSA-N 1 0 382.552 4.096 20 0 GIADRO CN(C)C(=O)Sc1ccc(C[NH2+]C2(c3ccc(F)cc3)CCOCC2)cc1 ZINC000176921767 823324829 /nfs/dbraw/zinc/32/48/29/823324829.db2.gz OVSQYGYJYPNMDE-UHFFFAOYSA-N 1 0 388.508 4.395 20 0 GIADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1cccc(Br)c1Cl ZINC000572344693 823324835 /nfs/dbraw/zinc/32/48/35/823324835.db2.gz LIKYLVOPUMHRMX-LBPRGKRZSA-N 1 0 388.737 4.441 20 0 GIADRO CCCC[NH+]1CCC(NC(=O)Nc2ccc(Cl)cc2OC(F)F)CC1 ZINC000460231720 823324926 /nfs/dbraw/zinc/32/49/26/823324926.db2.gz JFROZJQOBHIACC-UHFFFAOYSA-N 1 0 375.847 4.327 20 0 GIADRO C[NH+](C)Cc1ccnc(NC(=O)c2cc(-c3ccncc3)nc3ccccc32)c1 ZINC000176923059 823325102 /nfs/dbraw/zinc/32/51/02/823325102.db2.gz XATOEXZGDLFPNB-UHFFFAOYSA-N 1 0 383.455 4.006 20 0 GIADRO O=C(CC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O)Nc1c(Cl)cccc1Cl ZINC000572353764 823326550 /nfs/dbraw/zinc/32/65/50/823326550.db2.gz MXEXVLUAPMCAOT-IAOVAPTHSA-N 1 0 385.335 4.338 20 0 GIADRO COc1ccc([C@@H]2CCCCCN2C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)cc1 ZINC000572345897 823325376 /nfs/dbraw/zinc/32/53/76/823325376.db2.gz SRYNKYDBKLGSPA-NRFANRHFSA-N 1 0 395.503 4.326 20 0 GIADRO CC(C)Oc1ccc([C@H](CNC(=O)c2sccc2OC(F)F)[NH+](C)C)cc1 ZINC000572395219 823332334 /nfs/dbraw/zinc/33/23/34/823332334.db2.gz GDMACWDGZKAGSM-HNNXBMFYSA-N 1 0 398.475 4.169 20 0 GIADRO COc1ccc([C@H](CNC(=O)CCc2ccc([C@H]3C[C@H]3C)o2)[NH+]2CCCC2)cc1 ZINC000057781380 823331756 /nfs/dbraw/zinc/33/17/56/823331756.db2.gz PXFMZPGJYITJQP-WTNAPCKOSA-N 1 0 396.531 4.298 20 0 GIADRO CCn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC[N@H+](CC)CC1 ZINC000460238628 823327405 /nfs/dbraw/zinc/32/74/05/823327405.db2.gz XPHHCBUTXRLHIN-SFHVURJKSA-N 1 0 393.535 4.123 20 0 GIADRO CCCN(CC[NH+]1CCCC1)C(=O)Nc1ccc(OCC(F)(F)F)c(C)c1 ZINC000572391146 823331832 /nfs/dbraw/zinc/33/18/32/823331832.db2.gz ZOLKKPXNSRHZDG-UHFFFAOYSA-N 1 0 387.446 4.276 20 0 GIADRO CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(Br)cc1 ZINC000015299707 818309499 /nfs/dbraw/zinc/30/94/99/818309499.db2.gz LGUYWNIZVKMINE-UHFFFAOYSA-N 1 0 391.309 4.308 20 0 GIADRO Cc1cc(NC(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)ccc1-c1ccccc1 ZINC000460239990 823327841 /nfs/dbraw/zinc/32/78/41/823327841.db2.gz UACOSAXQEMHDRL-IBGZPJMESA-N 1 0 393.531 4.379 20 0 GIADRO Cc1ccccc1NC(=O)[C@@H](C)[NH2+][C@H]1CCOc2c(Br)cccc21 ZINC000409857966 823327932 /nfs/dbraw/zinc/32/79/32/823327932.db2.gz OFSYUDPYZTUBFL-DYVFJYSZSA-N 1 0 389.293 4.198 20 0 GIADRO Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000572364798 823328053 /nfs/dbraw/zinc/32/80/53/823328053.db2.gz QMOIXXWLSMMBES-KGSLCBSSSA-N 1 0 377.532 4.042 20 0 GIADRO Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC000122281324 823331948 /nfs/dbraw/zinc/33/19/48/823331948.db2.gz INZKBTAGIFYXJY-DLBZAZTESA-N 1 0 395.931 4.012 20 0 GIADRO O=C(CSc1ccc2ccccc2c1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000015540781 818335268 /nfs/dbraw/zinc/33/52/68/818335268.db2.gz NPLLKJIOKVJRHB-OAQYLSRUSA-N 1 0 376.525 4.323 20 0 GIADRO C[N@H+](CCCNC(=O)Nc1ccc(F)cc1Br)Cc1ccccc1 ZINC000057758348 823329273 /nfs/dbraw/zinc/32/92/73/823329273.db2.gz MMQVWGXMAUDVTL-UHFFFAOYSA-N 1 0 394.288 4.232 20 0 GIADRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(OCc2ccccc2)cc1 ZINC000015574394 818341064 /nfs/dbraw/zinc/34/10/64/818341064.db2.gz WBWWZHJMAHWACQ-HSZRJFAPSA-N 1 0 386.495 4.270 20 0 GIADRO C[C@H](C(=O)N[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000409863626 823329636 /nfs/dbraw/zinc/32/96/36/823329636.db2.gz CUDRHOIUFCCJND-KYNGSXCRSA-N 1 0 376.422 4.023 20 0 GIADRO C[C@H](CCCC(F)(F)F)NC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000572382449 823329911 /nfs/dbraw/zinc/32/99/11/823329911.db2.gz XNHRNHZMIVVMMT-IUODEOHRSA-N 1 0 379.854 4.363 20 0 GIADRO Clc1ccc(N2CC[C@@H]([NH2+]Cc3c[nH]nc3-c3cccnc3)C2)c(Cl)c1 ZINC000188934756 823330231 /nfs/dbraw/zinc/33/02/31/823330231.db2.gz HFXVHRCTJAWLAS-MRXNPFEDSA-N 1 0 388.302 4.147 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1)c1ccc(-c2cccnc2)cc1 ZINC000572389445 823331400 /nfs/dbraw/zinc/33/14/00/823331400.db2.gz SFTZHCZLFJJYMF-IIBYNOLFSA-N 1 0 382.891 4.493 20 0 GIADRO O=C(Nc1nnc(-c2ccsc2)s1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000057786678 823332726 /nfs/dbraw/zinc/33/27/26/823332726.db2.gz BOADDTIUHGDLRX-MRXNPFEDSA-N 1 0 399.545 4.053 20 0 GIADRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3nc(-c4ccccc4Cl)cs3)[C@H]2C1 ZINC000572401485 823332938 /nfs/dbraw/zinc/33/29/38/823332938.db2.gz BGMGJEQBEZKLNG-ZVZYQTTQSA-N 1 0 389.952 4.200 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)CCc1ccc([C@H]2C[C@@H]2C)o1)[NH+]1CCCC1 ZINC000057789448 823333441 /nfs/dbraw/zinc/33/34/41/823333441.db2.gz AFRIMRKTTXZBGP-YYWHXJBOSA-N 1 0 396.531 4.298 20 0 GIADRO CCCOc1ccc(C(=O)N(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)cc1OCCC ZINC000122294720 823333647 /nfs/dbraw/zinc/33/36/47/823333647.db2.gz HBQJQMFEQQBZJE-HKUYNNGSSA-N 1 0 376.541 4.067 20 0 GIADRO COCCn1cc(C[NH2+][C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cn1 ZINC000409879808 823334418 /nfs/dbraw/zinc/33/44/18/823334418.db2.gz YXJAWGPCOOFXOI-LLVKDONJSA-N 1 0 395.347 4.418 20 0 GIADRO COCCn1cc(C[NH2+][C@@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cn1 ZINC000409879810 823334454 /nfs/dbraw/zinc/33/44/54/823334454.db2.gz YXJAWGPCOOFXOI-NSHDSACASA-N 1 0 395.347 4.418 20 0 GIADRO COc1ccc([C@@H](C[NH2+]Cc2cc(Br)cs2)N2CCCC2)cc1 ZINC000057801173 823334670 /nfs/dbraw/zinc/33/46/70/823334670.db2.gz BTIUOIOCJZYULJ-GOSISDBHSA-N 1 0 395.366 4.446 20 0 GIADRO COc1ccccc1[C@@H](CNC(=S)Nc1ccc(F)cc1F)[NH+]1CCCC1 ZINC000016241293 818408933 /nfs/dbraw/zinc/40/89/33/818408933.db2.gz LHWSHXLUBZJTFF-GOSISDBHSA-N 1 0 391.487 4.097 20 0 GIADRO C[NH+](C)[C@@H](CNC(=S)Nc1ccc(Cl)c(Cl)c1)Cc1ccccc1 ZINC000016242205 818409725 /nfs/dbraw/zinc/40/97/25/818409725.db2.gz UCSMGBCCJDXEOS-OAHLLOKOSA-N 1 0 382.360 4.453 20 0 GIADRO COc1cccc([C@@H](CNC(=S)Nc2ccc(C)cc2C)[NH+]2CCCC2)c1 ZINC000016244966 818410422 /nfs/dbraw/zinc/41/04/22/818410422.db2.gz FEHXFFFGUDDZJR-OAQYLSRUSA-N 1 0 383.561 4.436 20 0 GIADRO COc1cccc([C@H](CNC(=S)Nc2ccc(Cl)cc2)[NH+]2CCCC2)c1 ZINC000016244925 818410461 /nfs/dbraw/zinc/41/04/61/818410461.db2.gz INMKFAOBRZRTOR-IBGZPJMESA-N 1 0 389.952 4.472 20 0 GIADRO Cc1cc(NC(=O)N[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)n(C2CC[NH+](C)CC2)n1 ZINC000572429105 823337554 /nfs/dbraw/zinc/33/75/54/823337554.db2.gz NJDDDQHUTGXBAB-ATZDWAIDSA-N 1 0 375.561 4.041 20 0 GIADRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1occc1Br ZINC000176963385 823335908 /nfs/dbraw/zinc/33/59/08/823335908.db2.gz PTNLLGSARQMTIV-UHFFFAOYSA-N 1 0 395.322 4.152 20 0 GIADRO CCOc1ccc(NC(=S)NCC2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000057816968 823336530 /nfs/dbraw/zinc/33/65/30/823336530.db2.gz LKCBJYXBXLFJNC-UHFFFAOYSA-N 1 0 389.590 4.345 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)Nc2ccccc2N2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000176968544 823337765 /nfs/dbraw/zinc/33/77/65/823337765.db2.gz SBNQCCNDCNIGRH-TZIWHRDSSA-N 1 0 392.547 4.461 20 0 GIADRO CC(C)OCc1c2ccccc2oc1C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000016503964 818450535 /nfs/dbraw/zinc/45/05/35/818450535.db2.gz BEYFTBQQHHMDJK-UHFFFAOYSA-N 1 0 380.488 4.349 20 0 GIADRO COC(=O)C1CC[NH+](Cc2ccc(-c3ccc(Br)cc3)o2)CC1 ZINC000016516929 818451779 /nfs/dbraw/zinc/45/17/79/818451779.db2.gz LYXAOORHXQTDAC-UHFFFAOYSA-N 1 0 378.266 4.094 20 0 GIADRO CCOC(=O)Nc1ccc2c(C[N@H+](C)Cc3ccccc3C)cc(=O)oc2c1 ZINC000016585841 818455823 /nfs/dbraw/zinc/45/58/23/818455823.db2.gz NMQKDYXBIBMLLX-UHFFFAOYSA-N 1 0 380.444 4.302 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1ccc(-n2cnc3ccccc32)cc1)c1ccccc1 ZINC000016599611 818458944 /nfs/dbraw/zinc/45/89/44/818458944.db2.gz WTYWAORLXWLUDI-HSZRJFAPSA-N 1 0 384.483 4.058 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1cc(-c2ccccn2)nc2ccccc21)c1ccccc1 ZINC000016599418 818458968 /nfs/dbraw/zinc/45/89/68/818458968.db2.gz QUXXQYKYAHHGBT-DEOSSOPVSA-N 1 0 396.494 4.330 20 0 GIADRO COc1ccc2c(c1)[C@@H]([NH2+]C1CCN(c3ccc(N(C)C)cc3)CC1)CCCO2 ZINC000122326367 823338448 /nfs/dbraw/zinc/33/84/48/823338448.db2.gz FXLQSOXULDFDCP-QHCPKHFHSA-N 1 0 395.547 4.234 20 0 GIADRO CCN(CC)c1nc2sc(C(=O)N(C)[C@@H]3CC[N@H+](CC)C[C@H]3C)cc2s1 ZINC000122328161 823338878 /nfs/dbraw/zinc/33/88/78/823338878.db2.gz GQTTURKZRUCWPX-ZIAGYGMSSA-N 1 0 394.610 4.006 20 0 GIADRO O=C(CC1([NH+]2CCOCC2)CCCC1)Nc1cccc(CCC(F)(F)F)c1 ZINC000176972567 823339287 /nfs/dbraw/zinc/33/92/87/823339287.db2.gz UUXRTBJFFVKJNA-UHFFFAOYSA-N 1 0 384.442 4.155 20 0 GIADRO CC(C)OCCCNC(=O)C1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000057847620 823340821 /nfs/dbraw/zinc/34/08/21/823340821.db2.gz ZDCUNHOKVBESFB-UHFFFAOYSA-N 1 0 392.543 4.400 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[NH2+]C(C)(C)c2cccc(C(F)(F)F)c2)c1 ZINC000057846826 823341098 /nfs/dbraw/zinc/34/10/98/823341098.db2.gz GADDNDYLYATMIZ-UHFFFAOYSA-N 1 0 396.409 4.186 20 0 GIADRO CC[NH+](CC)CC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000017283473 818505309 /nfs/dbraw/zinc/50/53/09/818505309.db2.gz SBUVRNKUOVXTJV-UHFFFAOYSA-N 1 0 393.409 4.238 20 0 GIADRO Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]CCCn1cnc2ccccc21 ZINC000017318449 818509087 /nfs/dbraw/zinc/50/90/87/818509087.db2.gz GPHSQWYHOPBFDL-UHFFFAOYSA-N 1 0 393.922 4.423 20 0 GIADRO COc1ccc(C[C@@H]([NH2+]Cc2c(C)nn(C)c2C)c2ccc(OC)cc2)cc1 ZINC000017317802 818509323 /nfs/dbraw/zinc/50/93/23/818509323.db2.gz NKWXNEYJSRYKLB-HSZRJFAPSA-N 1 0 379.504 4.128 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=S)Nc1ccccc1OC)c1cccc(OC)c1 ZINC000017516608 818517252 /nfs/dbraw/zinc/51/72/52/818517252.db2.gz HOPVSLOPTLFEEN-IBGZPJMESA-N 1 0 387.549 4.073 20 0 GIADRO CCc1c(NC(=O)N2CC[NH+](C3CCCCC3)CC2)cnn1C(CC)CC ZINC000572456824 823343458 /nfs/dbraw/zinc/34/34/58/823343458.db2.gz KUUAQBGRSYOJEQ-UHFFFAOYSA-N 1 0 375.561 4.289 20 0 GIADRO CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000572463913 823344777 /nfs/dbraw/zinc/34/47/77/823344777.db2.gz WRFGMKRAQSUHMT-SJLPKXTDSA-N 1 0 377.916 4.452 20 0 GIADRO CCOC(=O)[C@H]1CC[C@H]([NH2+]Cc2ccccc2-n2ccnc2)c2ccccc21 ZINC000572491960 823349321 /nfs/dbraw/zinc/34/93/21/823349321.db2.gz AFNNUIFOVJUEJB-SFTDATJTSA-N 1 0 375.472 4.144 20 0 GIADRO O=C(c1ccoc1)N1CCC([NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000189031316 823345065 /nfs/dbraw/zinc/34/50/65/823345065.db2.gz RADRXHCOASOOGU-UHFFFAOYSA-N 1 0 386.801 4.346 20 0 GIADRO Clc1cccc(-c2noc(CN3CCC(C[NH+]4CCCCCC4)CC3)n2)c1 ZINC000057889166 823345173 /nfs/dbraw/zinc/34/51/73/823345173.db2.gz NTLMLQKBSIAYHM-UHFFFAOYSA-N 1 0 388.943 4.478 20 0 GIADRO CC[NH+](CC)CCN(Cc1cccs1)C(=S)Nc1ccc(C(C)=O)cc1 ZINC000018138909 818550501 /nfs/dbraw/zinc/55/05/01/818550501.db2.gz QKTAJTQHRUMYGA-UHFFFAOYSA-N 1 0 389.590 4.492 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1C ZINC000176993954 823345219 /nfs/dbraw/zinc/34/52/19/823345219.db2.gz LUPGTFXHTSITFU-UZLBHIALSA-N 1 0 394.519 4.128 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)CCc2cccc(N(C)C)c2)CC1 ZINC000189034453 823345634 /nfs/dbraw/zinc/34/56/34/823345634.db2.gz HXXWDVMPEKYLPG-LJQANCHMSA-N 1 0 379.548 4.027 20 0 GIADRO CSc1ccc([C@H](C)[NH2+][C@H]2CCN(Cc3ccc(F)cc3)C2=O)cc1F ZINC000189034526 823345644 /nfs/dbraw/zinc/34/56/44/823345644.db2.gz TZUGBBYZDUUSIR-UGSOOPFHSA-N 1 0 376.472 4.138 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1)[NH+]1CCCC1 ZINC000018186112 818555380 /nfs/dbraw/zinc/55/53/80/818555380.db2.gz GJTKUGNINPCGIM-GOSISDBHSA-N 1 0 392.421 4.281 20 0 GIADRO CCC(CC)[C@@H]1C[C@H]([NH2+]C[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)CCO1 ZINC000572476832 823346795 /nfs/dbraw/zinc/34/67/95/823346795.db2.gz NDMVGVQJPUEJBB-IDCXYZFESA-N 1 0 383.960 4.352 20 0 GIADRO COc1ccc(NC(=O)C[NH2+][C@@H](Cc2ccccc2)c2ccccc2)cc1OC ZINC000019538723 818593741 /nfs/dbraw/zinc/59/37/41/818593741.db2.gz UULAPWJBIPZIEJ-NRFANRHFSA-N 1 0 390.483 4.216 20 0 GIADRO c1c(C[NH2+]CCCOC2CCCC2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000057972607 823351741 /nfs/dbraw/zinc/35/17/41/823351741.db2.gz LMTJYZSBSBSXHU-UHFFFAOYSA-N 1 0 376.504 4.373 20 0 GIADRO CN(C)[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1)c1ccc(F)cc1 ZINC000572521289 823353522 /nfs/dbraw/zinc/35/35/22/823353522.db2.gz CLVDYUCEYIEBAI-DHIUTWEWSA-N 1 0 381.539 4.215 20 0 GIADRO O=C(NCc1cnc(-c2ccc(Cl)cc2)s1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000572525148 823354239 /nfs/dbraw/zinc/35/42/39/823354239.db2.gz GIOWPNOPPVQJGA-JQFCIGGWSA-N 1 0 375.925 4.000 20 0 GIADRO C[C@H]([NH2+]Cc1cnn(Cc2ccc(F)cc2)c1)c1ccc(N2CCCC2=O)cc1 ZINC000189086059 823354952 /nfs/dbraw/zinc/35/49/52/823354952.db2.gz HGMFXLXXHTYOJU-KRWDZBQOSA-N 1 0 392.478 4.048 20 0 GIADRO CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@H](C)N2CCc3sccc3C2)cc1 ZINC000409946003 823350251 /nfs/dbraw/zinc/35/02/51/823350251.db2.gz HKLVKKNNJLBOHJ-SFHVURJKSA-N 1 0 399.604 4.157 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(NC(=O)C3CCC3)c1)CCCO2 ZINC000122409088 823350364 /nfs/dbraw/zinc/35/03/64/823350364.db2.gz NDWIIBUHNVUGDY-OAQYLSRUSA-N 1 0 380.488 4.437 20 0 GIADRO CC[C@@H](Cc1ccccc1)N(C)C(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000460316347 823350898 /nfs/dbraw/zinc/35/08/98/823350898.db2.gz ABBTUXANDTWBNE-QFIPXVFZSA-N 1 0 382.573 4.329 20 0 GIADRO Fc1ccc([C@@H](C[C@@H]2CCCO2)[NH2+]Cc2cccc(Cn3ccnc3)c2)cc1 ZINC000572532683 823355648 /nfs/dbraw/zinc/35/56/48/823355648.db2.gz ZXVZOEPKIAUCEZ-XZOQPEGZSA-N 1 0 379.479 4.471 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(-c4cccs4)on3)c(C)c2)CC1 ZINC000021465230 818690742 /nfs/dbraw/zinc/69/07/42/818690742.db2.gz KRBVWUQGLCOXOQ-UHFFFAOYSA-N 1 0 396.516 4.106 20 0 GIADRO CO[C@H](CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccc(Cl)cc1 ZINC000460332417 823356331 /nfs/dbraw/zinc/35/63/31/823356331.db2.gz ZEDRXQZXTILRAZ-OAQYLSRUSA-N 1 0 386.923 4.443 20 0 GIADRO CC[C@@H](NC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1c(C)noc1C ZINC000122453372 823356702 /nfs/dbraw/zinc/35/67/02/823356702.db2.gz UORUIKAFTWHFBF-HRAATJIYSA-N 1 0 398.551 4.474 20 0 GIADRO COc1c(F)cc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1F ZINC000177039239 823356829 /nfs/dbraw/zinc/35/68/29/823356829.db2.gz UBTPSRFIVLPQQT-HOCLYGCPSA-N 1 0 389.446 4.148 20 0 GIADRO COc1ccc([C@H](CNC(=O)c2c(C)noc2C(C)C)[NH+]2CCCCC2)cc1 ZINC000021556533 818703989 /nfs/dbraw/zinc/70/39/89/818703989.db2.gz DIWJTRRWAPNQBT-IBGZPJMESA-N 1 0 385.508 4.072 20 0 GIADRO CC(C)([C@H](NC(=O)COc1ccsc1)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000409966289 823356922 /nfs/dbraw/zinc/35/69/22/823356922.db2.gz XHMNNGDYYTVUKR-LJQANCHMSA-N 1 0 394.487 4.137 20 0 GIADRO C[C@H](C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)[C@@H]1OCCc2sccc21 ZINC000572546114 823358464 /nfs/dbraw/zinc/35/84/64/823358464.db2.gz LYJPQFFPOURAIN-WFXMLNOXSA-N 1 0 390.593 4.113 20 0 GIADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C2(c3cc(F)cc(C(F)(F)F)c3)CC2)C1 ZINC000189106975 823358524 /nfs/dbraw/zinc/35/85/24/823358524.db2.gz WABCKPUGHCPFRF-CQSZACIVSA-N 1 0 386.433 4.113 20 0 GIADRO CC[C@H](C)CN(C)c1ccc(F)cc1C[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000572548693 823359118 /nfs/dbraw/zinc/35/91/18/823359118.db2.gz JFPJSMNDMXISBF-UWJYYQICSA-N 1 0 378.532 4.078 20 0 GIADRO O=C(Cc1c[nH]c2ccccc12)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000409975338 823359579 /nfs/dbraw/zinc/35/95/79/823359579.db2.gz DVZIYDNSEUBJQP-UHFFFAOYSA-N 1 0 375.516 4.403 20 0 GIADRO C[N@H+](CCCNC(=O)Nc1ccc2oc(C3CC3)nc2c1)Cc1ccccc1 ZINC000058074671 823359891 /nfs/dbraw/zinc/35/98/91/823359891.db2.gz JYFXEJQMAQYOHK-UHFFFAOYSA-N 1 0 378.476 4.349 20 0 GIADRO O=C(Cc1csc(-c2cccs2)n1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000021939594 818757945 /nfs/dbraw/zinc/75/79/45/818757945.db2.gz PDSARQFJMCUELA-UHFFFAOYSA-N 1 0 397.569 4.326 20 0 GIADRO COc1ccc(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)cc1OC ZINC000409978858 823360899 /nfs/dbraw/zinc/36/08/99/823360899.db2.gz RPDORAIIXZCZFI-UHFFFAOYSA-N 1 0 382.504 4.010 20 0 GIADRO CC[C@@H](C)c1ccccc1OCC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000022010246 818763004 /nfs/dbraw/zinc/76/30/04/818763004.db2.gz HVWMQMSKKWJLSU-LJQANCHMSA-N 1 0 380.532 4.360 20 0 GIADRO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000022023210 818765006 /nfs/dbraw/zinc/76/50/06/818765006.db2.gz SXOVBQSKUXILNP-FCHUYYIVSA-N 1 0 386.495 4.047 20 0 GIADRO C[C@@H](CCCOc1ccccc1C(N)=O)[NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000572593811 823366905 /nfs/dbraw/zinc/36/69/05/823366905.db2.gz ITJQIAPDJKGQNT-ZMSDIMECSA-N 1 0 386.458 4.291 20 0 GIADRO C[C@@H]([NH2+]C[C@H]1COc2ccccc21)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000572593848 823366924 /nfs/dbraw/zinc/36/69/24/823366924.db2.gz QKUKJMIFIIROIN-AEFFLSMTSA-N 1 0 385.529 4.230 20 0 GIADRO COc1cc(OC)c(NC(=O)C[N@H+](C)[C@@H]2CCCc3ccccc32)cc1Cl ZINC000022062459 818768269 /nfs/dbraw/zinc/76/82/69/818768269.db2.gz INEGPGCMIDKTFJ-GOSISDBHSA-N 1 0 388.895 4.305 20 0 GIADRO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1ccc(SC(=O)N(C)C)cc1 ZINC000177065861 823363080 /nfs/dbraw/zinc/36/30/80/823363080.db2.gz UQWZYTFEJUHKRJ-HAWMADMCSA-N 1 0 390.574 4.391 20 0 GIADRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N1CC2(CCC2)[C@@H]1C1CC1 ZINC000460357887 823363161 /nfs/dbraw/zinc/36/31/61/823363161.db2.gz AKMXSVRYNRRQON-HMFYCAOWSA-N 1 0 381.564 4.117 20 0 GIADRO Cc1cc(NC(=O)CCCC2CCOCC2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000409986287 823363290 /nfs/dbraw/zinc/36/32/90/823363290.db2.gz PXEUAZCKZDJOQW-UHFFFAOYSA-N 1 0 387.568 4.061 20 0 GIADRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CC2(CCC2)[C@H]1C1CC1 ZINC000460357889 823363284 /nfs/dbraw/zinc/36/32/84/823363284.db2.gz AKMXSVRYNRRQON-JZZBYWGLSA-N 1 0 381.564 4.117 20 0 GIADRO Brc1cccc(N2CC[C@H]([NH2+]Cc3ccnn3-c3ccccc3)C2)c1 ZINC000572570094 823363312 /nfs/dbraw/zinc/36/33/12/823363312.db2.gz CCVWNJVJDTXVKR-KRWDZBQOSA-N 1 0 397.320 4.003 20 0 GIADRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc(C(C)C)nc3c2c(C)nn3C(C)(C)C)C1 ZINC000409988750 823363824 /nfs/dbraw/zinc/36/38/24/823363824.db2.gz XMVZEIXXVHRASQ-KRWDZBQOSA-N 1 0 399.583 4.080 20 0 GIADRO Cc1ccc(Cl)cc1NC(=O)CNC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000460361355 823363943 /nfs/dbraw/zinc/36/39/43/823363943.db2.gz HBPALQNLVKEFQN-ROUUACIJSA-N 1 0 399.966 4.333 20 0 GIADRO Cc1ccoc1C(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000572575055 823364030 /nfs/dbraw/zinc/36/40/30/823364030.db2.gz HPVRZIJLXVSGSL-UHFFFAOYSA-N 1 0 391.309 4.087 20 0 GIADRO CC(C)[C@H]1C[C@H](CNC(=O)Nc2cccc(-c3ncc4n3CCCC4)c2)CCO1 ZINC000572596827 823367242 /nfs/dbraw/zinc/36/72/42/823367242.db2.gz LJKLYFLYHLZXES-DYESRHJHSA-N 1 0 396.535 4.459 20 0 GIADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)NCc1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000460365693 823365067 /nfs/dbraw/zinc/36/50/67/823365067.db2.gz WAMKTZBCEASOES-CQSZACIVSA-N 1 0 392.931 4.223 20 0 GIADRO Cc1cccc(C(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)c1Cl ZINC000122516535 823365834 /nfs/dbraw/zinc/36/58/34/823365834.db2.gz KZVTZIVCDHIBQQ-QGZVFWFLSA-N 1 0 386.923 4.278 20 0 GIADRO O=C(c1ccc(F)c(Cl)c1F)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000572589047 823366041 /nfs/dbraw/zinc/36/60/41/823366041.db2.gz COFVFHFGEZMLRU-NRFANRHFSA-N 1 0 390.861 4.356 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)C[N@@H+]1C1CC1 ZINC000177085500 823367514 /nfs/dbraw/zinc/36/75/14/823367514.db2.gz YLUAQUOGAUHMAU-SJLPKXTDSA-N 1 0 387.483 4.364 20 0 GIADRO C[C@@H](COc1ccc(Cl)c(Cl)c1)[NH2+]Cc1cnn(CC(F)(F)F)c1 ZINC000572589912 823366625 /nfs/dbraw/zinc/36/66/25/823366625.db2.gz JTSNHMGYDNGZKZ-JTQLQIEISA-N 1 0 382.213 4.309 20 0 GIADRO CCNC(=S)C(C(=O)c1cc(C)sc1C)[n+]1ccc(C(C)(C)C)cc1 ZINC000022687008 818844429 /nfs/dbraw/zinc/84/44/29/818844429.db2.gz ADWLSLYZJRDBSX-UHFFFAOYSA-O 1 0 375.583 4.498 20 0 GIADRO CCCc1cc[n+](C(C(=O)c2ccc(OCC)cc2)C(=S)NC2CC2)cc1 ZINC000022688731 818844985 /nfs/dbraw/zinc/84/49/85/818844985.db2.gz RFNXSXTZDDHJIZ-UHFFFAOYSA-O 1 0 383.537 4.016 20 0 GIADRO COc1cc(-c2noc(CCCCC[NH2+][C@H]3CCC34CCCC4)n2)ccc1O ZINC000189166046 823368783 /nfs/dbraw/zinc/36/87/83/823368783.db2.gz UHKRTBAASPYSPL-IBGZPJMESA-N 1 0 385.508 4.476 20 0 GIADRO C[NH+](C)C[C@H](NC(=O)CCCc1ncc(-c2ccccc2)o1)c1ccc(F)cc1 ZINC000572610120 823369035 /nfs/dbraw/zinc/36/90/35/823369035.db2.gz IUYHFUBJKNKEIK-FQEVSTJZSA-N 1 0 395.478 4.223 20 0 GIADRO Cc1ccc(C[N@@H+]2CCCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)cc1 ZINC000022831813 818865364 /nfs/dbraw/zinc/86/53/64/818865364.db2.gz UPFXRARVPTXHJJ-UHFFFAOYSA-N 1 0 396.922 4.406 20 0 GIADRO C[NH+](C)CCCOC1CCN(C(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)CC1 ZINC000177108051 823373187 /nfs/dbraw/zinc/37/31/87/823373187.db2.gz ZLONKJVANMJDQC-RBUKOAKNSA-N 1 0 399.362 4.056 20 0 GIADRO CC(C)[C@@H]([NH2+]Cc1ncc(-c2cccc(Br)c2)o1)C1(CO)CCC1 ZINC000572614464 823369703 /nfs/dbraw/zinc/36/97/03/823369703.db2.gz VJVLSRYGKJUHAG-GOSISDBHSA-N 1 0 393.325 4.381 20 0 GIADRO C[C@@H]([NH2+]C1CCN([C@H](C)c2ccncc2)CC1)c1cncc(Br)c1 ZINC000572617811 823369962 /nfs/dbraw/zinc/36/99/62/823369962.db2.gz IRYNDTWAOZVRFT-HUUCEWRRSA-N 1 0 389.341 4.115 20 0 GIADRO C[C@@H](CNC(=O)CCSc1nc2ccccc2s1)[N@@H+]1CCCC[C@@H]1C ZINC000058230841 823370315 /nfs/dbraw/zinc/37/03/15/823370315.db2.gz WRJIAIBPKIARCR-GJZGRUSLSA-N 1 0 377.579 4.158 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)CCc1cccc(OC)c1)c1ccccc1Cl ZINC000022966799 818881306 /nfs/dbraw/zinc/88/13/06/818881306.db2.gz RCIKJUSQOJZVEI-NRFANRHFSA-N 1 0 388.939 4.481 20 0 GIADRO CC[NH+](CC)CC(=O)Nc1cccc(N[C@@H](COC)c2cccc(Cl)c2)c1 ZINC000572626013 823371240 /nfs/dbraw/zinc/37/12/40/823371240.db2.gz CPPXAMRRCRHCLJ-FQEVSTJZSA-N 1 0 389.927 4.420 20 0 GIADRO O=C(NCCn1ccc2cc(Cl)ccc21)NC1CC[NH+](C2CCCC2)CC1 ZINC000572628837 823371439 /nfs/dbraw/zinc/37/14/39/823371439.db2.gz XSNJHTAAZVRSJO-UHFFFAOYSA-N 1 0 388.943 4.001 20 0 GIADRO CCc1cc2oc(=O)cc(C[NH+]3CCC([C@@H]4CCCO4)CC3)c2cc1Cl ZINC000189181827 823371499 /nfs/dbraw/zinc/37/14/99/823371499.db2.gz HMYUXUOVACBOIB-IBGZPJMESA-N 1 0 375.896 4.400 20 0 GIADRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2sc(-c3ccc(Cl)s3)nc2C)C1 ZINC000058273977 823373705 /nfs/dbraw/zinc/37/37/05/823373705.db2.gz VGBVWOWNDBPVIW-LBPRGKRZSA-N 1 0 383.970 4.295 20 0 GIADRO C[NH+](C)CCCOC1CCN(C(=O)CC2CCC(c3ccccc3)CC2)CC1 ZINC000177103537 823371893 /nfs/dbraw/zinc/37/18/93/823371893.db2.gz IHAOTLXKBAUNFP-UHFFFAOYSA-N 1 0 386.580 4.310 20 0 GIADRO CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)Sc2cc(Cl)ccc2Cl)C1 ZINC000058274591 823373546 /nfs/dbraw/zinc/37/35/46/823373546.db2.gz QNKKBQXLBBLPBQ-CHWSQXEVSA-N 1 0 375.365 4.322 20 0 GIADRO COc1ccc(-c2nc(C)c(C(=O)NCCC[NH+]3CCCCCC3)s2)cc1 ZINC000023237045 818915985 /nfs/dbraw/zinc/91/59/85/818915985.db2.gz WZEUAYXELRRXKR-UHFFFAOYSA-N 1 0 387.549 4.123 20 0 GIADRO CC(C)c1noc(CCC[NH2+]Cc2cn(-c3ccccc3)nc2C(C)(C)C)n1 ZINC000177111614 823374103 /nfs/dbraw/zinc/37/41/03/823374103.db2.gz FZEVZARWQNENCH-UHFFFAOYSA-N 1 0 381.524 4.399 20 0 GIADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)CCCc2ccc(Br)s2)C1 ZINC000122572870 823374933 /nfs/dbraw/zinc/37/49/33/823374933.db2.gz IUBAFHCMFLEAEM-CQSZACIVSA-N 1 0 387.387 4.070 20 0 GIADRO O=C(N1CCC[C@@H]2CCC[C@@H]21)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000460395942 823375728 /nfs/dbraw/zinc/37/57/28/823375728.db2.gz YDKFLESYXPXGHQ-CMKODMSKSA-N 1 0 380.454 4.232 20 0 GIADRO O=C(N1CCC[C@@H]2CCC[C@@H]21)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000460395941 823375779 /nfs/dbraw/zinc/37/57/79/823375779.db2.gz YDKFLESYXPXGHQ-BJLQDIEVSA-N 1 0 380.454 4.232 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(OCCOc3ccccc3)nc2)cc1O ZINC000572652624 823376042 /nfs/dbraw/zinc/37/60/42/823376042.db2.gz HSQVVUQLDGANEY-QGZVFWFLSA-N 1 0 394.471 4.104 20 0 GIADRO O=C(CCC(=O)c1ccc(-c2ccccc2)cc1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000058298955 823376026 /nfs/dbraw/zinc/37/60/26/823376026.db2.gz QRDJABJWKIILMC-FGZHOGPDSA-N 1 0 376.500 4.060 20 0 GIADRO Cc1nc(CSc2ccccc2C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cs1 ZINC000058299112 823376156 /nfs/dbraw/zinc/37/61/56/823376156.db2.gz UBYVDLMJJVVFBG-ZWKOTPCHSA-N 1 0 387.574 4.100 20 0 GIADRO CCC(CC)(Cc1nc2ccccc2s1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000058299425 823376303 /nfs/dbraw/zinc/37/63/03/823376303.db2.gz IASMIKPQIIDYEQ-WMZOPIPTSA-N 1 0 385.577 4.388 20 0 GIADRO Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+]CCCn2ccnc2)c1 ZINC000023623351 818966563 /nfs/dbraw/zinc/96/65/63/818966563.db2.gz CBPLHLIVKIMUDB-UHFFFAOYSA-N 1 0 389.478 4.363 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)CSc1ccccc1C)[NH+]1CCCC1 ZINC000023712336 818975785 /nfs/dbraw/zinc/97/57/85/818975785.db2.gz SRNJOMDNJMJPCJ-IBGZPJMESA-N 1 0 384.545 4.049 20 0 GIADRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1cc(Cl)nc2ccccc21 ZINC000023738935 818977279 /nfs/dbraw/zinc/97/72/79/818977279.db2.gz GADSZKGRTNURQB-FQEVSTJZSA-N 1 0 379.891 4.455 20 0 GIADRO C[C@@H](NC(=O)NC1CCC(C[NH+](C)C)CC1)c1ccc(OCC2CC2)c(F)c1 ZINC000122587025 823377370 /nfs/dbraw/zinc/37/73/70/823377370.db2.gz NTVKSAZGQLHTMI-MDCZIUGASA-N 1 0 391.531 4.095 20 0 GIADRO Cc1nc(C)c(-c2csc(NC(=O)[C@@H]3CC[N@H+](Cc4ccccc4)C3)n2)s1 ZINC000572660377 823377796 /nfs/dbraw/zinc/37/77/96/823377796.db2.gz FWPRIPPYLPKEFY-MRXNPFEDSA-N 1 0 398.557 4.344 20 0 GIADRO C[C@H]1C[C@@H](NC(=O)Nc2ccc3c(c2)C(=O)CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000177128034 823377865 /nfs/dbraw/zinc/37/78/65/823377865.db2.gz JJQNOCFHUMFASH-UWJYYQICSA-N 1 0 391.515 4.380 20 0 GIADRO COc1ccc(-c2nc(C)c(C(=O)Nc3ccc(C[NH+](C)C)cc3)s2)cc1 ZINC000023899394 818991876 /nfs/dbraw/zinc/99/18/76/818991876.db2.gz ZLMZSKYMBAXKPJ-UHFFFAOYSA-N 1 0 381.501 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COCCCOc1cccc(NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000177140764 823380959 /nfs/dbraw/zinc/38/09/59/823380959.db2.gz HPCFGHMQYSTAKG-UHFFFAOYSA-N 1 0 397.519 4.019 20 0 GIADRO C[C@@H](CCc1cccn1C)[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000122612322 823381422 /nfs/dbraw/zinc/38/14/22/823381422.db2.gz YOKCMJRTBKOGRS-GJZGRUSLSA-N 1 0 381.442 4.372 20 0 GIADRO C[N@@H+]1CCCN(c2ccc(-c3noc(-c4cccc5ccsc54)n3)cn2)CC1 ZINC000572681424 823381598 /nfs/dbraw/zinc/38/15/98/823381598.db2.gz SILXGGWTJDIPEU-UHFFFAOYSA-N 1 0 391.500 4.155 20 0 GIADRO C[C@H]1C[C@H](NC(=O)c2cc(NC(=O)CC(C)(C)C)ccc2Cl)C[N@@H+]1C1CC1 ZINC000177151321 823384148 /nfs/dbraw/zinc/38/41/48/823384148.db2.gz VUPZUAOBKITSDX-ZFWWWQNUSA-N 1 0 391.943 4.070 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc2c1OCCCO2)[C@H](OC1CCOCC1)c1ccccc1 ZINC000122616738 823382159 /nfs/dbraw/zinc/38/21/59/823382159.db2.gz UEKMRMYPEQLANG-JPYJTQIMSA-N 1 0 397.515 4.263 20 0 GIADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)Cc2cccc(OCc3ccc(Cl)cc3)c2)C1 ZINC000572713968 823387879 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CCN(Cc1ccccc1)c1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000122742000 823404169 /nfs/dbraw/zinc/40/41/69/823404169.db2.gz FGMYHDBAJVCYOB-AUSIDOKSSA-N 1 0 379.548 4.268 20 0 GIADRO CCOc1ccc(NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)cc1OCC ZINC000058532295 823404953 /nfs/dbraw/zinc/40/49/53/823404953.db2.gz SXYCCALRMOYLAT-KRWDZBQOSA-N 1 0 377.529 4.260 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)NCc1ccc(F)cc1C(F)(F)F)c1ccsc1 ZINC000410158795 823405643 /nfs/dbraw/zinc/40/56/43/823405643.db2.gz SGQNWFUKWNWKLB-HNNXBMFYSA-N 1 0 389.418 4.008 20 0 GIADRO CC[C@@H]1CN(c2cc(C(F)F)nc3ccc(Cl)cc32)CC[N@@H+]1C[C@H](C)O ZINC000572828901 823406653 /nfs/dbraw/zinc/40/66/53/823406653.db2.gz BNORBOAMHAPCFO-GXTWGEPZSA-N 1 0 383.870 4.107 20 0 GIADRO O=C(CCCOc1ccccc1Cl)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177237827 823407108 /nfs/dbraw/zinc/40/71/08/823407108.db2.gz ONPHVVISNIVVIV-UHFFFAOYSA-N 1 0 378.944 4.412 20 0 GIADRO Cc1cc(C)cc(C[C@@H](C)NC(=O)c2ccc(C[NH+]3CCSCC3)cc2)c1 ZINC000460495332 823407741 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Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000572877649 823412941 /nfs/dbraw/zinc/41/29/41/823412941.db2.gz RKPWARXTOXYFJK-SFHVURJKSA-N 1 0 387.524 4.108 20 0 GIADRO CC[N@@H+]1CCC[C@H]1CN(Cc1c[nH]nc1-c1ccccc1F)Cc1ccncc1 ZINC000572886868 823414043 /nfs/dbraw/zinc/41/40/43/823414043.db2.gz FGNPNXLTECTQKD-FQEVSTJZSA-N 1 0 393.510 4.097 20 0 GIADRO Cc1ccc(CN(CC[NH+](C)C)Cc2ccccc2OCc2ccccn2)o1 ZINC000572887059 823414037 /nfs/dbraw/zinc/41/40/37/823414037.db2.gz IZFMJEQQKRWADE-UHFFFAOYSA-N 1 0 379.504 4.126 20 0 GIADRO COCCc1ccccc1NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000189405449 823409685 /nfs/dbraw/zinc/40/96/85/823409685.db2.gz TXANYZJNGYFGFM-LJQANCHMSA-N 1 0 395.547 4.429 20 0 GIADRO CC(C)Oc1cccc(CN(C)C(=O)NCCCC[NH+]2CCC(C)CC2)c1 ZINC000122774217 823409987 /nfs/dbraw/zinc/40/99/87/823409987.db2.gz KYRNQCWUZJVWCS-UHFFFAOYSA-N 1 0 375.557 4.127 20 0 GIADRO Cc1noc(C2CC[NH+](Cc3cc(Br)cc4cccnc43)CC2)n1 ZINC000177263083 823413697 /nfs/dbraw/zinc/41/36/97/823413697.db2.gz ZBOFOAPBLAXMDL-UHFFFAOYSA-N 1 0 387.281 4.068 20 0 GIADRO C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]Cc1ccnc(N2CCOCC2)c1 ZINC000572857960 823410022 /nfs/dbraw/zinc/41/00/22/823410022.db2.gz UTFZYURGZREOOP-FOWTUZBSSA-N 1 0 391.437 4.130 20 0 GIADRO CCc1nc2cc(NC(=O)c3ccc(OCC[NH+](CC)CC)cc3)ccc2o1 ZINC000058565299 823410436 /nfs/dbraw/zinc/41/04/36/823410436.db2.gz YXEOXJHEMYGHIC-UHFFFAOYSA-N 1 0 381.476 4.363 20 0 GIADRO CSc1ccc(O[C@H](C)C(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000177254832 823410594 /nfs/dbraw/zinc/41/05/94/823410594.db2.gz CMSAAFZPTIAGSE-MRXNPFEDSA-N 1 0 376.566 4.089 20 0 GIADRO [NH3+]CC12CCC(CC1)CN2C(=O)[C@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000572893903 823415312 /nfs/dbraw/zinc/41/53/12/823415312.db2.gz DQUBKEFOVBVKIR-YXWKIUIQSA-N 1 0 390.527 4.099 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2nc3ccc(C)cc3s2)c(C)c1OC ZINC000572909263 823418205 /nfs/dbraw/zinc/41/82/05/823418205.db2.gz JRRSXYJSTJKTQK-AWEZNQCLSA-N 1 0 399.516 4.220 20 0 GIADRO C[C@@H]([NH2+]C[C@H](c1cccs1)N1CCOCC1)c1cccc(Br)c1 ZINC000410204286 823418923 /nfs/dbraw/zinc/41/89/23/823418923.db2.gz AOFARSWSOOPTRN-RHSMWYFYSA-N 1 0 395.366 4.235 20 0 GIADRO O=C(CCc1ccccc1)N1CCC[N@@H+](Cc2cc(F)cc3cccnc32)CC1 ZINC000177286237 823421673 /nfs/dbraw/zinc/42/16/73/823421673.db2.gz IHSDIMMCCMZYAC-UHFFFAOYSA-N 1 0 391.490 4.041 20 0 GIADRO COCCc1ccccc1NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000189472643 823424763 /nfs/dbraw/zinc/42/47/63/823424763.db2.gz QXBJYYWDURABNU-UHFFFAOYSA-N 1 0 381.520 4.004 20 0 GIADRO C[C@H]([NH2+][C@@H](c1ccc(F)cc1)C1CCC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177292561 823423453 /nfs/dbraw/zinc/42/34/53/823423453.db2.gz ZJCARQBNOPBHDB-YCRPNKLZSA-N 1 0 390.524 4.268 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)[C@@H]2CCCCCC(=O)C2)CC1 ZINC000572935842 823423643 /nfs/dbraw/zinc/42/36/43/823423643.db2.gz ISCXRFLRKDUYSO-OAHLLOKOSA-N 1 0 392.927 4.291 20 0 GIADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N2CCC(c3cccc4ccccc43)CC2)C1 ZINC000058647166 823423801 /nfs/dbraw/zinc/42/38/01/823423801.db2.gz HDVRJELWKCVFJR-IBGZPJMESA-N 1 0 379.548 4.459 20 0 GIADRO COc1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000572941247 823424325 /nfs/dbraw/zinc/42/43/25/823424325.db2.gz ZFENGYGGDZTCGW-INIZCTEOSA-N 1 0 394.302 4.398 20 0 GIADRO Cc1ccc(-c2nc(C[NH2+][C@@H](C)CCCOc3ccccc3C(N)=O)co2)cc1 ZINC000122828891 823419613 /nfs/dbraw/zinc/41/96/13/823419613.db2.gz UPTKHJSOWKNTDU-KRWDZBQOSA-N 1 0 393.487 4.086 20 0 GIADRO CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3c(C)cc(C)cc3C)C2=O)cc1 ZINC000189454772 823420672 /nfs/dbraw/zinc/42/06/72/823420672.db2.gz HBGBRWGGLSWMEN-LAUBAEHRSA-N 1 0 379.504 4.026 20 0 GIADRO Cc1c(Cl)cccc1S(=O)(=O)N(c1cccc(F)c1)C1CC[NH+](C)CC1 ZINC000572926057 823421103 /nfs/dbraw/zinc/42/11/03/823421103.db2.gz GSPBIKYYXZCSQN-UHFFFAOYSA-N 1 0 396.915 4.077 20 0 GIADRO O=C(c1ccc(SCc2ccccc2)cc1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000572958799 823426849 /nfs/dbraw/zinc/42/68/49/823426849.db2.gz LBXVXCDOKMKOCL-SFTDATJTSA-N 1 0 380.557 4.441 20 0 GIADRO O=C(c1c2c(nc3ccccc31)/C(=C/c1ccccc1)CC2)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000572964782 823427201 /nfs/dbraw/zinc/42/72/01/823427201.db2.gz YVIUNUZERFTNGW-HKMWZRITSA-N 1 0 395.506 4.013 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)N(CCC(F)(F)F)CC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000177304647 823427399 /nfs/dbraw/zinc/42/73/99/823427399.db2.gz LKNMIHHJSMFJBR-APWZRJJASA-N 1 0 397.485 4.414 20 0 GIADRO C[C@@H](NC(=O)[C@@H](c1ccc(Cl)cc1)N(C)C)c1nc(C2CCCCC2)no1 ZINC000572971341 823428294 /nfs/dbraw/zinc/42/82/94/823428294.db2.gz BEQOUDJZZVXSGB-CXAGYDPISA-N 1 0 390.915 4.251 20 0 GIADRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(C)(C)Cc3ccc(C(F)(F)F)cc3)CC[C@@H]21 ZINC000189487260 823428427 /nfs/dbraw/zinc/42/84/27/823428427.db2.gz ONZUCUFTMYCKKF-WMZOPIPTSA-N 1 0 382.470 4.217 20 0 GIADRO Cc1nc(-c2cc3c(s2)CCN(C(=O)c2ccc4c[nH+]cn4c2)C3)cs1 ZINC000572980153 823429724 /nfs/dbraw/zinc/42/97/24/823429724.db2.gz IZYRUUYLLGKUEG-UHFFFAOYSA-N 1 0 380.498 4.026 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H](C)Oc1ccccc1C(F)(F)F ZINC000177313517 823429836 /nfs/dbraw/zinc/42/98/36/823429836.db2.gz IGBGAESFQDVNNH-AWEZNQCLSA-N 1 0 380.410 4.481 20 0 GIADRO CC[C@@H]([NH2+][C@@H](C)CC(=O)Nc1cc(OC)ccc1OC)c1ccc(OC)cc1 ZINC000122892637 823430054 /nfs/dbraw/zinc/43/00/54/823430054.db2.gz WUKWXUSPVJRAKT-HNAYVOBHSA-N 1 0 386.492 4.170 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000177318269 823431378 /nfs/dbraw/zinc/43/13/78/823431378.db2.gz ZEUYRXFFMPSEHI-UHFFFAOYSA-N 1 0 397.519 4.334 20 0 GIADRO COc1cc([C@H](C)[NH2+]C2CCC(c3ccccc3)CC2)ccc1S(C)(=O)=O ZINC000122904564 823431970 /nfs/dbraw/zinc/43/19/70/823431970.db2.gz HHZGHSWNIQOMIP-VQSBYGRUSA-N 1 0 387.545 4.476 20 0 GIADRO COc1cccc(Cl)c1C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000573007372 823432798 /nfs/dbraw/zinc/43/27/98/823432798.db2.gz AGMVIFXMWYWGGG-OAHLLOKOSA-N 1 0 392.952 4.313 20 0 GIADRO C[C@@H](C1CC1)[N@@H+](Cc1ccccc1)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000024673631 819863719 /nfs/dbraw/zinc/86/37/19/819863719.db2.gz OHCNXMWOSYUJKX-AWEZNQCLSA-N 1 0 379.529 4.274 20 0 GIADRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC000024679878 819864053 /nfs/dbraw/zinc/86/40/53/819864053.db2.gz ZJEHHCFYIUKQTN-IBGZPJMESA-N 1 0 386.430 4.027 20 0 GIADRO C[C@H](NC(=O)NCc1ccc(C[NH+](C)C)cc1)c1ccc(-c2cccnc2)cc1 ZINC000177328365 823435115 /nfs/dbraw/zinc/43/51/15/823435115.db2.gz XRAWSZAFHAEYKL-SFHVURJKSA-N 1 0 388.515 4.371 20 0 GIADRO COc1cc(C)c(C[N@H+](C)CCC(=O)N[C@@H]2CCCc3ccccc32)cc1OC ZINC000024804553 819878706 /nfs/dbraw/zinc/87/87/06/819878706.db2.gz JDTDIEBXJNUUGR-OAQYLSRUSA-N 1 0 396.531 4.028 20 0 GIADRO CCCOc1c(Cl)cc(C(=O)Nc2ccccc2C[NH+](C)C)cc1OC ZINC000024812689 819880475 /nfs/dbraw/zinc/88/04/75/819880475.db2.gz IBMJWUTZUVMQKP-UHFFFAOYSA-N 1 0 376.884 4.451 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000177330093 823435796 /nfs/dbraw/zinc/43/57/96/823435796.db2.gz WFOUNRMZEUXYFF-OLZOCXBDSA-N 1 0 390.742 4.144 20 0 GIADRO COc1ccccc1-c1nc(C(=O)N(CC[NH+](C)C)C2CCCCC2)cs1 ZINC000058706034 823436128 /nfs/dbraw/zinc/43/61/28/823436128.db2.gz HYMYNESZBMYKSS-UHFFFAOYSA-N 1 0 387.549 4.155 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)c2cccc(NC(=O)NC(C)C)c2)c1 ZINC000024927937 819896494 /nfs/dbraw/zinc/89/64/94/819896494.db2.gz HAPKYKAFSHZAOC-UHFFFAOYSA-N 1 0 382.508 4.311 20 0 GIADRO O[C@H](C[C@@H]1CCCCC[N@@H+]1CCOCC(F)(F)C(F)F)c1cccs1 ZINC000189523296 823437094 /nfs/dbraw/zinc/43/70/94/823437094.db2.gz KWKUIZZWLUTJKK-UONOGXRCSA-N 1 0 383.451 4.333 20 0 GIADRO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)C[C@H](C)c1cccc(Cl)c1 ZINC000189540949 823440660 /nfs/dbraw/zinc/44/06/60/823440660.db2.gz HKNUZYPEEPPTJR-HNNXBMFYSA-N 1 0 387.911 4.363 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3cccc(OCC(C)C)c3)c(C)c2)CC1 ZINC000025187366 819940739 /nfs/dbraw/zinc/94/07/39/819940739.db2.gz ONAMYHONRBCTNX-UHFFFAOYSA-N 1 0 395.547 4.424 20 0 GIADRO CCN(C(=O)[C@H](C)[NH2+][C@H]1c2ccccc2CC12CCOCC2)C1CCCCC1 ZINC000573048049 823439756 /nfs/dbraw/zinc/43/97/56/823439756.db2.gz MIZDLMPIYYKNTL-AVRDEDQJSA-N 1 0 384.564 4.240 20 0 GIADRO CC[NH+](CC)CC1CCN(C(=O)NCc2c(OC)ccc3ccccc32)CC1 ZINC000410264802 823440118 /nfs/dbraw/zinc/44/01/18/823440118.db2.gz IXPMFYMDVLEZGG-UHFFFAOYSA-N 1 0 383.536 4.112 20 0 GIADRO COC(=O)COc1cccc(C[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)c1 ZINC000177341325 823440162 /nfs/dbraw/zinc/44/01/62/823440162.db2.gz OHPDVXSCJQCIAN-HSZRJFAPSA-N 1 0 379.431 4.257 20 0 GIADRO C/C=C/c1ccc(OC[C@H](O)C[N@H+](Cc2ccccc2F)C2CC2)c(OC)c1 ZINC000025300008 819957330 /nfs/dbraw/zinc/95/73/30/819957330.db2.gz DSCRWWRDZHGYRP-SQZHUTIHSA-N 1 0 385.479 4.272 20 0 GIADRO COc1cccc([C@@H]2[C@@H](NC(=O)Nc3cccc4[nH]ccc43)CC[N@@H+]2C2CC2)c1 ZINC000189546242 823441299 /nfs/dbraw/zinc/44/12/99/823441299.db2.gz IKEMCBFKBVNPSS-FCHUYYIVSA-N 1 0 390.487 4.276 20 0 GIADRO CC(=O)Nc1ccc(C[NH2+]Cc2cc(Br)ccc2OC(F)F)cc1 ZINC000025312890 819961032 /nfs/dbraw/zinc/96/10/32/819961032.db2.gz COPGXYAEZGGPKF-UHFFFAOYSA-N 1 0 399.235 4.299 20 0 GIADRO CC(=O)Nc1ccc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)cc1 ZINC000025313015 819961080 /nfs/dbraw/zinc/96/10/80/819961080.db2.gz WKDMIAPCGDBOHH-UHFFFAOYSA-N 1 0 397.482 4.183 20 0 GIADRO Cc1ccc([C@@H]([NH2+]CCC(=O)NC(=O)Nc2ccccc2)c2ccccc2)cc1 ZINC000025366484 819970580 /nfs/dbraw/zinc/97/05/80/819970580.db2.gz DBLUWLKCDIIHTJ-QHCPKHFHSA-N 1 0 387.483 4.412 20 0 GIADRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](Cc2nnc(C3CC3)s2)[C@H]2CCCC[C@@H]12 ZINC000573059391 823442338 /nfs/dbraw/zinc/44/23/38/823442338.db2.gz DCVBNRXSIFCXIT-XWJBARJFSA-N 1 0 390.597 4.099 20 0 GIADRO Cc1nc2cc(F)ccc2cc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000025383773 819973788 /nfs/dbraw/zinc/97/37/88/819973788.db2.gz IYFPXXMTZAYQQJ-IBGZPJMESA-N 1 0 383.492 4.311 20 0 GIADRO Cc1ccc2nc(C[N@H+]3Cc4ccccc4[C@H](c4ccccc4)C3)cc(=O)n2c1 ZINC000025400029 819975646 /nfs/dbraw/zinc/97/56/46/819975646.db2.gz PPFDIXYDVNLQGO-QHCPKHFHSA-N 1 0 381.479 4.151 20 0 GIADRO CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)[NH2+][C@@H](c1ccccc1)C(C)C ZINC000025436120 819979371 /nfs/dbraw/zinc/97/93/71/819979371.db2.gz ADPSIBGHJONGDO-WZONZLPQSA-N 1 0 395.547 4.021 20 0 GIADRO CCCC[N@H+](C)CC(=O)N(C)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000025510054 819992663 /nfs/dbraw/zinc/99/26/63/819992663.db2.gz GWUNDDQFHXSIIE-GOSISDBHSA-N 1 0 381.520 4.190 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1cc2ccc(F)cc2nc1C)c1ccccc1 ZINC000025514781 819993806 /nfs/dbraw/zinc/99/38/06/819993806.db2.gz BHJZREQMMCQZMQ-JOCHJYFZSA-N 1 0 379.479 4.495 20 0 GIADRO CC(C)[C@H](CNC(=O)C1(c2ccc(F)cc2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000025541172 820000484 /nfs/dbraw/zinc/00/04/84/820000484.db2.gz YHLVKFGQXILHML-QFIPXVFZSA-N 1 0 380.507 4.056 20 0 GIADRO Cc1ccc(NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)s1 ZINC000573075218 823444332 /nfs/dbraw/zinc/44/43/32/823444332.db2.gz KZEDNORPXNIRQI-IBGZPJMESA-N 1 0 399.560 4.107 20 0 GIADRO Cc1ccc(NC(=O)[C@@H]([NH2+]CCc2ccc3c(c2)OCO3)c2ccccc2)cc1 ZINC000025697786 820015237 /nfs/dbraw/zinc/01/52/37/820015237.db2.gz QJHYABOMIKYPKM-QHCPKHFHSA-N 1 0 388.467 4.236 20 0 GIADRO CCOc1cc(C[NH2+][C@@H](C)c2ccncc2OC)ccc1OCC(F)(F)F ZINC000189564469 823445254 /nfs/dbraw/zinc/44/52/54/823445254.db2.gz BPXRTNOSKOZHLD-ZDUSSCGKSA-N 1 0 384.398 4.281 20 0 GIADRO Cc1noc(C)c1CO[C@H]1CC[N@H+](Cc2ccccc2OCC(F)(F)F)C1 ZINC000573140100 823453743 /nfs/dbraw/zinc/45/37/43/823453743.db2.gz AHAKOBSAFYJNDZ-INIZCTEOSA-N 1 0 384.398 4.024 20 0 GIADRO CCNC(=O)CC[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc(C)c(C)c1 ZINC000025930827 820041216 /nfs/dbraw/zinc/04/12/16/820041216.db2.gz QYXOWPVIUKVKPN-UHFFFAOYSA-N 1 0 390.531 4.114 20 0 GIADRO Cc1ccc(CN2CCC[N@H+](CCC(=O)Nc3ccccc3Cl)CC2)cc1 ZINC000025936639 820042073 /nfs/dbraw/zinc/04/20/73/820042073.db2.gz BSJFRQKWPIUMEG-UHFFFAOYSA-N 1 0 385.939 4.185 20 0 GIADRO Cc1cc(C)n(-c2ccc(C[NH+]3CCC([C@H](O)c4ccccc4)CC3)cc2)n1 ZINC000025938295 820042340 /nfs/dbraw/zinc/04/23/40/820042340.db2.gz YAVSKLUVZCPVMQ-XMMPIXPASA-N 1 0 375.516 4.435 20 0 GIADRO CCOc1cc(C[NH2+][C@@H](C)c2ccc(NC(N)=O)cc2)ccc1OC(F)F ZINC000123014442 823448157 /nfs/dbraw/zinc/44/81/57/823448157.db2.gz VUCWYMDJYYJBTO-LBPRGKRZSA-N 1 0 379.407 4.028 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)CCc3ccc(C)cc3C)c(C)c2)CC1 ZINC000025961593 820044300 /nfs/dbraw/zinc/04/43/00/820044300.db2.gz QOXMBWOJMAOLMS-UHFFFAOYSA-N 1 0 379.548 4.325 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)c3cccc4cccnc43)C2)s1 ZINC000573116051 823449510 /nfs/dbraw/zinc/44/95/10/823449510.db2.gz GVTFRGYFMCZWEV-KRWDZBQOSA-N 1 0 379.529 4.199 20 0 GIADRO CC(C)Oc1ccc([C@@H](C)[NH2+][C@H](C)Cn2cc(Br)ccc2=O)cc1 ZINC000573113237 823449620 /nfs/dbraw/zinc/44/96/20/823449620.db2.gz RRZSWOIIMWVFQC-HUUCEWRRSA-N 1 0 393.325 4.137 20 0 GIADRO CCN(CCC[NH+]1CCCC1)C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000189578643 823449693 /nfs/dbraw/zinc/44/96/93/823449693.db2.gz QFRDHJWOQVQBFS-UHFFFAOYSA-N 1 0 378.948 4.280 20 0 GIADRO COCc1cccc(C[NH2+]Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)c1 ZINC000189578606 823449697 /nfs/dbraw/zinc/44/96/97/823449697.db2.gz VLBGCMVGHKOJBB-UHFFFAOYSA-N 1 0 382.504 4.374 20 0 GIADRO C[C@H](CNC(=O)N[C@@H]1CCSc2ccc(F)cc21)[N@@H+]1CCc2ccccc2C1 ZINC000026173017 820066551 /nfs/dbraw/zinc/06/65/51/820066551.db2.gz VRVSVJRGHPTYGZ-FOIQADDNSA-N 1 0 399.535 4.109 20 0 GIADRO CC(C)(C)OC(=O)N1Cc2ccc(C[NH2+]Cc3ccc([N+](=O)[O-])cc3)cc2C1 ZINC000189579362 823450026 /nfs/dbraw/zinc/45/00/26/823450026.db2.gz YMRFFKPSYCDWQX-UHFFFAOYSA-N 1 0 383.448 4.135 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(C(C)(C)C)cc2)c1 ZINC000026193523 820068171 /nfs/dbraw/zinc/06/81/71/820068171.db2.gz RCAPQKSDMWJRJA-INIZCTEOSA-N 1 0 381.520 4.402 20 0 GIADRO C[C@H]1CCN(C(=O)Nc2cccc(OCCF)c2)CC[N@@H+]1Cc1ccccc1 ZINC000123026946 823450170 /nfs/dbraw/zinc/45/01/70/823450170.db2.gz ZNEWQSIPJMUJIX-SFHVURJKSA-N 1 0 385.483 4.163 20 0 GIADRO CC(C)c1[nH+]c(CN[C@H](c2nc(-c3cccnc3)no2)C(C)C)c2ccccn21 ZINC000573125508 823450516 /nfs/dbraw/zinc/45/05/16/823450516.db2.gz KICQOZVUKYCPOX-IBGZPJMESA-N 1 0 390.491 4.390 20 0 GIADRO Cc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@@H]2CCCO2)cc1C ZINC000026302919 820079675 /nfs/dbraw/zinc/07/96/75/820079675.db2.gz BJHSMBMVJJFDOO-QHCPKHFHSA-N 1 0 375.516 4.484 20 0 GIADRO Clc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]CCn2ccnc2)cc1 ZINC000026309340 820080711 /nfs/dbraw/zinc/08/07/11/820080711.db2.gz YYMRMDZXADQQMB-UHFFFAOYSA-N 1 0 391.906 4.238 20 0 GIADRO CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1Cl)C[C@H](O)Cc1ccccc1 ZINC000026338058 820085816 /nfs/dbraw/zinc/08/58/16/820085816.db2.gz UJGGYHRPVSRGHD-QGZVFWFLSA-N 1 0 395.330 4.248 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)N[C@@H](C)c2cccc(NC(C)=O)c2)cc1 ZINC000026378300 820091927 /nfs/dbraw/zinc/09/19/27/820091927.db2.gz RXOBYUKGEXRYAN-KRWDZBQOSA-N 1 0 396.535 4.047 20 0 GIADRO Cc1ccc([C@@H]2OCCC[C@H]2C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000177391212 823452211 /nfs/dbraw/zinc/45/22/11/823452211.db2.gz BALGBFSRMRAEML-FPOVZHCZSA-N 1 0 388.552 4.452 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(-c3ccncc3)cc2F)CC1)c1ccccc1 ZINC000123042053 823452222 /nfs/dbraw/zinc/45/22/22/823452222.db2.gz IONNVHQLJKSZJJ-UHFFFAOYSA-N 1 0 389.474 4.282 20 0 GIADRO COc1ccc(C[N@H+](C)Cc2cc(=O)oc3cc(C)ccc23)cc1OC(F)F ZINC000026452654 820098874 /nfs/dbraw/zinc/09/88/74/820098874.db2.gz YXKKYTLRDJHYFN-UHFFFAOYSA-N 1 0 389.398 4.343 20 0 GIADRO Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000058792298 823452835 /nfs/dbraw/zinc/45/28/35/823452835.db2.gz UCXUSMWPWKBNCS-GOSISDBHSA-N 1 0 394.277 4.450 20 0 GIADRO COc1ccc(C[NH2+]C[C@@H](O)c2ccc(Cl)cc2)cc1OCc1cccnc1 ZINC000058792130 823452843 /nfs/dbraw/zinc/45/28/43/823452843.db2.gz IJCIOQFAFSHAEN-HXUWFJFHSA-N 1 0 398.890 4.146 20 0 GIADRO CCSc1cc(C[NH2+]Cc2cc(Br)c3c(c2)OCCO3)ccn1 ZINC000189592443 823453979 /nfs/dbraw/zinc/45/39/79/823453979.db2.gz KQQMBANYQJCMEA-UHFFFAOYSA-N 1 0 395.322 4.017 20 0 GIADRO CCOc1ccc(C(=O)N2CCC([NH2+]C3CCC(C(F)(F)F)CC3)CC2)cc1 ZINC000123052654 823454183 /nfs/dbraw/zinc/45/41/83/823454183.db2.gz AQAPIFCLTGBNGB-UHFFFAOYSA-N 1 0 398.469 4.401 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccccc1CCOC)c1ccsc1 ZINC000189593936 823454274 /nfs/dbraw/zinc/45/42/74/823454274.db2.gz KBJXXALJNJJGMG-LJQANCHMSA-N 1 0 375.538 4.142 20 0 GIADRO COCCc1ccccc1NC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000189593812 823454321 /nfs/dbraw/zinc/45/43/21/823454321.db2.gz VHPCNZDMZAHEEN-UHFFFAOYSA-N 1 0 395.547 4.429 20 0 GIADRO COc1ccc(C[C@H](C)CN(C)C(=O)c2oc3ccccc3c2C[NH+](C)C)cc1 ZINC000123060561 823455515 /nfs/dbraw/zinc/45/55/15/823455515.db2.gz INTZLZFKMBMZHR-KRWDZBQOSA-N 1 0 394.515 4.454 20 0 GIADRO CN(C(=O)c1ccc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1)c1ccccc1 ZINC000123061635 823455597 /nfs/dbraw/zinc/45/55/97/823455597.db2.gz FSRFRAYGMXGHJK-UHFFFAOYSA-N 1 0 393.531 4.002 20 0 GIADRO COc1c(Br)cccc1C[NH2+]C[C@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000189601356 823455822 /nfs/dbraw/zinc/45/58/22/823455822.db2.gz HCHBXLQCHACVMU-DOMZBBRYSA-N 1 0 396.247 4.031 20 0 GIADRO COC(=O)[C@@H](C)[C@H]([NH2+]CC(=O)Nc1cccc(Cl)c1Cl)c1ccccc1 ZINC000177415831 823457185 /nfs/dbraw/zinc/45/71/85/823457185.db2.gz IAYQLHWXBPXGPF-SGTLLEGYSA-N 1 0 395.286 4.072 20 0 GIADRO COC(=O)[C@@H](C)[C@H]([NH2+]Cc1cc(=O)oc2c(C)c(C)ccc12)c1ccccc1 ZINC000177417331 823457642 /nfs/dbraw/zinc/45/76/42/823457642.db2.gz RKSMVMBFOGNUOS-KKSFZXQISA-N 1 0 379.456 4.050 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)CCC(=O)c1cc(C)ccc1C ZINC000026942515 820166936 /nfs/dbraw/zinc/16/69/36/820166936.db2.gz XVXNWEQNMONOLX-UHFFFAOYSA-N 1 0 380.532 4.425 20 0 GIADRO c1ccc(OCCCCC[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000189611933 823457890 /nfs/dbraw/zinc/45/78/90/823457890.db2.gz SJCMDXWJNYWSAJ-FQEVSTJZSA-N 1 0 382.552 4.433 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1cccc(Cn2ccnc2)c1)CC3 ZINC000123081373 823458881 /nfs/dbraw/zinc/45/88/81/823458881.db2.gz RSEZJLYBPBSLTN-IBGZPJMESA-N 1 0 386.499 4.068 20 0 GIADRO COc1cc(C[NH2+]C[C@]2(O)CCC[C@@H](C(F)(F)F)C2)ccc1OC(C)C ZINC000189614598 823459093 /nfs/dbraw/zinc/45/90/93/823459093.db2.gz SQLWVDAUDDWZBA-QAPCUYQASA-N 1 0 375.431 4.056 20 0 GIADRO Cc1cc(CCC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)ccc1Br ZINC000177423926 823459144 /nfs/dbraw/zinc/45/91/44/823459144.db2.gz XMWZSZDEQPJRSV-SFHVURJKSA-N 1 0 393.369 4.167 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)c2occc2Br)CC[N@@H+]1Cc1ccccc1 ZINC000177423079 823459169 /nfs/dbraw/zinc/45/91/69/823459169.db2.gz YOOZKBYNHJENTC-ZBFHGGJFSA-N 1 0 391.309 4.167 20 0 GIADRO CCOC(=O)C1CC[NH+](CCSc2ccnc3cc(Cl)ccc32)CC1 ZINC000177427162 823459924 /nfs/dbraw/zinc/45/99/24/823459924.db2.gz ZLSWYLDEMRRMIG-UHFFFAOYSA-N 1 0 378.925 4.255 20 0 GIADRO O=C(Nc1ccc(F)c(Cl)c1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000410312626 823460149 /nfs/dbraw/zinc/46/01/49/823460149.db2.gz TWYHFMYITWVWNM-UHFFFAOYSA-N 1 0 375.875 4.308 20 0 GIADRO CC(=O)Nc1cccc(C[NH2+]Cc2c(C)nn(Cc3ccc(Cl)cc3)c2C)c1 ZINC000123087094 823460144 /nfs/dbraw/zinc/46/01/44/823460144.db2.gz VHDFZEDCQNFRSN-UHFFFAOYSA-N 1 0 396.922 4.450 20 0 GIADRO Cc1ccc2cc(C[N@@H+]3CCCN(C(=O)c4ccc(F)cc4)CC3)ccc2n1 ZINC000189639956 823464900 /nfs/dbraw/zinc/46/49/00/823464900.db2.gz SGKJLTWNPAVVMV-UHFFFAOYSA-N 1 0 377.463 4.030 20 0 GIADRO O[C@]1(C[NH2+]Cc2ccccc2OCc2ccccn2)CCC[C@@H](C(F)(F)F)C1 ZINC000189621854 823460721 /nfs/dbraw/zinc/46/07/21/823460721.db2.gz FOHPKBMHGGCIMR-YLJYHZDGSA-N 1 0 394.437 4.234 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)c2cc3cnn(C(C)C)c3nc2C)cc1 ZINC000027143581 820201052 /nfs/dbraw/zinc/20/10/52/820201052.db2.gz NNVDTARVDOWYMD-UHFFFAOYSA-N 1 0 393.535 4.092 20 0 GIADRO COc1ccc(C2(C(=O)N[C@H]3CC[N@@H+]([C@H](C)c4ccccc4)C3)CCCC2)cc1 ZINC000058833236 823460958 /nfs/dbraw/zinc/46/09/58/823460958.db2.gz OUYYVQMXLPNVIR-KNQAVFIVSA-N 1 0 392.543 4.459 20 0 GIADRO Cc1oc(-c2ccccc2)nc1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000027150201 820201237 /nfs/dbraw/zinc/20/12/37/820201237.db2.gz YUMDUSYEYTWRKC-UHFFFAOYSA-N 1 0 375.472 4.176 20 0 GIADRO O=C(Cc1coc2cc3c(cc12)CCC3)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000027145786 820201290 /nfs/dbraw/zinc/20/12/90/820201290.db2.gz UIZMLQHQGMJSSF-FQEVSTJZSA-N 1 0 394.540 4.479 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@@H](c2ccccc2)C2CC2)CC1 ZINC000410317279 823461022 /nfs/dbraw/zinc/46/10/22/823461022.db2.gz KGWVOEDDBQQHLK-QHCPKHFHSA-N 1 0 377.532 4.410 20 0 GIADRO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]CCc1nc2c(cccc2C)o1 ZINC000410316909 823461158 /nfs/dbraw/zinc/46/11/58/823461158.db2.gz IVNCKKHOLPGBNN-UHFFFAOYSA-N 1 0 378.451 4.410 20 0 GIADRO COc1ccc(C[NH2+]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)cc1Br ZINC000189623980 823461510 /nfs/dbraw/zinc/46/15/10/823461510.db2.gz MNMYVJFWENQFNQ-SWLSCSKDSA-N 1 0 396.247 4.031 20 0 GIADRO O=C(NC[C@@H]1CCCO[C@H]1c1ccccc1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177435458 823461620 /nfs/dbraw/zinc/46/16/20/823461620.db2.gz JJWUOHDJORBFLX-REWPJTCUSA-N 1 0 399.579 4.251 20 0 GIADRO CCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000027215855 820210804 /nfs/dbraw/zinc/21/08/04/820210804.db2.gz WQGXRXAGECTFDT-QFIPXVFZSA-N 1 0 379.504 4.138 20 0 GIADRO O[C@]1(C[NH2+]Cc2c[nH]nc2-c2cccc(Cl)c2)CCC[C@@H](C(F)(F)F)C1 ZINC000189625456 823461834 /nfs/dbraw/zinc/46/18/34/823461834.db2.gz IPAOIEARIMQJLC-RHSMWYFYSA-N 1 0 387.833 4.303 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@@H](C)CCc2ccccc2)CC1 ZINC000410320683 823462016 /nfs/dbraw/zinc/46/20/16/823462016.db2.gz UXQUXJHWSDRJJJ-FQEVSTJZSA-N 1 0 379.548 4.280 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)Nc1ccccc1N1CCCCC1 ZINC000058851495 823462059 /nfs/dbraw/zinc/46/20/59/823462059.db2.gz UUWVRLOPTRYILB-FQEVSTJZSA-N 1 0 382.508 4.229 20 0 GIADRO CCOc1ccc2cc(C(=O)N3CCC(C[NH+]4CCCCCC4)CC3)[nH]c2c1 ZINC000058878913 823465050 /nfs/dbraw/zinc/46/50/50/823465050.db2.gz PSNMBYAFVOKDII-UHFFFAOYSA-N 1 0 383.536 4.295 20 0 GIADRO O=C(NC[C@H]1CCCO1)c1cccc(C[NH2+][C@H]2CCCCc3ccccc32)c1 ZINC000177438399 823462271 /nfs/dbraw/zinc/46/22/71/823462271.db2.gz TZSFCOXXRQZLND-GGAORHGYSA-N 1 0 378.516 4.153 20 0 GIADRO O=C(CCCc1nc2ccccc2s1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000027334348 820225523 /nfs/dbraw/zinc/22/55/23/820225523.db2.gz HGKBOLAGQRLHJG-QGZVFWFLSA-N 1 0 383.517 4.165 20 0 GIADRO O=C(CCCOc1ccccc1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000027344110 820228601 /nfs/dbraw/zinc/22/86/01/820228601.db2.gz YNOLVSWAZQAOBX-NRFANRHFSA-N 1 0 386.923 4.452 20 0 GIADRO O=C(Nc1ccc2oc(C3CC3)nc2c1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000027351522 820229236 /nfs/dbraw/zinc/22/92/36/820229236.db2.gz KEZYCASYJIEDNL-UHFFFAOYSA-N 1 0 390.487 4.491 20 0 GIADRO Cc1nc(-c2c[nH]c(C(=O)N3CCC[N@H+](Cc4ccccc4C)CC3)c2)cs1 ZINC000027388697 820236909 /nfs/dbraw/zinc/23/69/09/820236909.db2.gz XSFIXTJCBZHSGS-UHFFFAOYSA-N 1 0 394.544 4.103 20 0 GIADRO C[NH+](C)C1(CNC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)CCCCC1 ZINC000027391254 820237805 /nfs/dbraw/zinc/23/78/05/820237805.db2.gz LYXYPWRBFSLXGE-UHFFFAOYSA-N 1 0 394.519 4.325 20 0 GIADRO COC(=O)[C@H]1CCC[C@@H](c2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)C1 ZINC000177445823 823463427 /nfs/dbraw/zinc/46/34/27/823463427.db2.gz JLSLTJRZTVNJFX-MOPGFXCFSA-N 1 0 383.492 4.169 20 0 GIADRO Cc1ccc(-c2cnc(CCC(=O)NC3CC[NH+](C4CCCC4)CC3)o2)cc1 ZINC000177445220 823463537 /nfs/dbraw/zinc/46/35/37/823463537.db2.gz DIWOLSKMUGOSCR-UHFFFAOYSA-N 1 0 381.520 4.106 20 0 GIADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CCSc1ccnc2cc(Cl)ccc21 ZINC000177446635 823464073 /nfs/dbraw/zinc/46/40/73/823464073.db2.gz BTXABMMTMAWJKE-KSSFIOAISA-N 1 0 391.968 4.169 20 0 GIADRO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]CCc1nc(C(C)C)no1 ZINC000123111863 823464189 /nfs/dbraw/zinc/46/41/89/823464189.db2.gz ASCABEUUHLEFSM-UHFFFAOYSA-N 1 0 387.915 4.040 20 0 GIADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CCSc1ccnc2cc(Cl)ccc21 ZINC000177446621 823464185 /nfs/dbraw/zinc/46/41/85/823464185.db2.gz BTXABMMTMAWJKE-KDOFPFPSSA-N 1 0 391.968 4.169 20 0 GIADRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)Cc3scnc3-c3ccccc3)cccc21 ZINC000573197219 823464199 /nfs/dbraw/zinc/46/41/99/823464199.db2.gz FMBOQRPELQBRAF-GOSISDBHSA-N 1 0 393.512 4.377 20 0 GIADRO COc1ccc(C(=O)C(C(=S)N[C@@H]2CCCC[C@H]2C)[n+]2ccc(C)cc2)cc1 ZINC000027487766 820252094 /nfs/dbraw/zinc/25/20/94/820252094.db2.gz LFAXFMHODVHGPB-YLJYHZDGSA-O 1 0 397.564 4.398 20 0 GIADRO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CCC[C@H](c3nc4ccccc4s3)C2)c1 ZINC000027506730 820254607 /nfs/dbraw/zinc/25/46/07/820254607.db2.gz CUXAAHISSVFYGX-AWEZNQCLSA-N 1 0 393.472 4.391 20 0 GIADRO COCc1c2ccccc2oc1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000027603528 820266046 /nfs/dbraw/zinc/26/60/46/820266046.db2.gz IUISVHPQYAFLBV-QGZVFWFLSA-N 1 0 384.501 4.208 20 0 GIADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1c[nH]c(=S)n1-c1ccccc1 ZINC000027606364 820266907 /nfs/dbraw/zinc/26/69/07/820266907.db2.gz FFDCHSBHUWHSGC-MRXNPFEDSA-N 1 0 398.557 4.163 20 0 GIADRO CC[NH+](CC)CCN(C(=O)c1cc(C)cs1)c1ccc(Br)cn1 ZINC000573210435 823465981 /nfs/dbraw/zinc/46/59/81/823465981.db2.gz JYJUGPYMPHXIIT-UHFFFAOYSA-N 1 0 396.354 4.203 20 0 GIADRO Cc1cc(Cl)ccc1OCC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000058881843 823466096 /nfs/dbraw/zinc/46/60/96/823466096.db2.gz HBXFJMYMNXWUJQ-UHFFFAOYSA-N 1 0 378.944 4.142 20 0 GIADRO COc1ccc([C@H](CNC(=O)[C@H](C)Oc2cccc(C)c2)[NH+]2CCCCC2)cc1 ZINC000027667260 820272957 /nfs/dbraw/zinc/27/29/57/820272957.db2.gz VRAAGCGEQBUBMV-CVDCTZTESA-N 1 0 396.531 4.114 20 0 GIADRO CC1(C)[C@H]([NH2+]C2CCC(C(=O)N3CCSCC3)CC2)C[C@H]1c1ccccc1 ZINC000123127244 823466571 /nfs/dbraw/zinc/46/65/71/823466571.db2.gz UAWFIOWKWDIHKH-NSKBAKJYSA-N 1 0 386.605 4.293 20 0 GIADRO O=C(NC1CC[NH+](C2CCCC2)CC1)[C@H]1C[C@H]1c1ccc(Br)cc1 ZINC000177457602 823467010 /nfs/dbraw/zinc/46/70/10/823467010.db2.gz JRJGBRMVLDAZQB-OALUTQOASA-N 1 0 391.353 4.076 20 0 GIADRO CC(C)c1c(C(=O)N[C@H](C)C[NH+]2CCCCC2)cnn1-c1cccc(Cl)c1 ZINC000027769355 820284239 /nfs/dbraw/zinc/28/42/39/820284239.db2.gz NEKQODPEKVIYPY-MRXNPFEDSA-N 1 0 388.943 4.253 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)NCCc2cccc3[nH]ccc32)[C@@H]1c1cccs1 ZINC000573222413 823467497 /nfs/dbraw/zinc/46/74/97/823467497.db2.gz NWEKQHGQAXEGHB-LAUBAEHRSA-N 1 0 396.560 4.154 20 0 GIADRO O=C(CSc1ccccc1Cl)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000027927455 820297828 /nfs/dbraw/zinc/29/78/28/820297828.db2.gz KHMTZMSWMXDQHU-UHFFFAOYSA-N 1 0 388.964 4.255 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)Cc2ccc(F)c(Br)c2)C1 ZINC000058900142 823468313 /nfs/dbraw/zinc/46/83/13/823468313.db2.gz YNUXAIOHRQOKBO-GASCZTMLSA-N 1 0 399.348 4.005 20 0 GIADRO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)CCc2cc3ccccc3o2)CC1 ZINC000028007358 820304048 /nfs/dbraw/zinc/30/40/48/820304048.db2.gz GRXQNDNSIMXIRU-UHFFFAOYSA-N 1 0 397.906 4.409 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCC[C@H]3c3cccnc3)cc2)C1 ZINC000410354243 823471465 /nfs/dbraw/zinc/47/14/65/823471465.db2.gz OEHGINBIDVQZFH-CVDCTZTESA-N 1 0 392.547 4.360 20 0 GIADRO C[C@H](Nc1cc[nH+]c2cc(C(F)(F)F)ccc12)c1cccc(S(N)(=O)=O)c1 ZINC000123141430 823468922 /nfs/dbraw/zinc/46/89/22/823468922.db2.gz MRKMXOSTIKKYQM-NSHDSACASA-N 1 0 395.406 4.074 20 0 GIADRO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000028162674 820314571 /nfs/dbraw/zinc/31/45/71/820314571.db2.gz JTYLCNVLLFJDSJ-QFIPXVFZSA-N 1 0 380.488 4.093 20 0 GIADRO COc1ccc2nc(C)c(C(=O)Nc3ccc(C[NH+]4CCCC4)cc3)cc2c1 ZINC000028176385 820315725 /nfs/dbraw/zinc/31/57/25/820315725.db2.gz GEUQRJAIRBSQQL-UHFFFAOYSA-N 1 0 375.472 4.400 20 0 GIADRO CC(C)n1nccc1C[N@H+](C[C@@H](O)COc1cccc2ccccc21)C(C)C ZINC000410347141 823469401 /nfs/dbraw/zinc/46/94/01/823469401.db2.gz YXBPXWGOFXOVDZ-OAQYLSRUSA-N 1 0 381.520 4.268 20 0 GIADRO COc1ccc([C@H](Cc2ccccc2)[NH2+][C@@H]2CCN(c3ncccc3F)C2)cc1 ZINC000573254804 823471530 /nfs/dbraw/zinc/47/15/30/823471530.db2.gz YMXQFOFLUVGRDL-OFNKIYASSA-N 1 0 391.490 4.382 20 0 GIADRO 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 823469813 /nfs/dbraw/zinc/46/98/13/823469813.db2.gz UWZUGSPASNKZGS-TWMKSMIVSA-N 1 0 389.506 4.402 20 0 GIADRO Fc1ccc(-c2ccc(C[NH2+][C@@H](CN3CCOCC3)c3ccccc3)o2)cc1 ZINC000028321113 820324595 /nfs/dbraw/zinc/32/45/95/820324595.db2.gz QWMOMOPOAIAXPL-QFIPXVFZSA-N 1 0 380.463 4.249 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc3ccccc32)c1 ZINC000028336043 820325805 /nfs/dbraw/zinc/32/58/05/820325805.db2.gz FGTBFHXNGYNFHW-CVEARBPZSA-N 1 0 375.472 4.476 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1cccc(Cl)c1 ZINC000028347291 820327626 /nfs/dbraw/zinc/32/76/26/820327626.db2.gz JAQRGGKRHJIOLO-KBPBESRZSA-N 1 0 385.895 4.366 20 0 GIADRO Cc1ccc(-n2cc(NC(=O)NC3CC[NH+](C4CCCC4)CC3)cn2)c(C)c1 ZINC000189670794 823471611 /nfs/dbraw/zinc/47/16/11/823471611.db2.gz WMOWXNXEDGVMDN-UHFFFAOYSA-N 1 0 381.524 4.018 20 0 GIADRO CN(Cc1ccc2ccccc2c1)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000028353001 820328791 /nfs/dbraw/zinc/32/87/91/820328791.db2.gz FFARUFDONARSTO-UHFFFAOYSA-N 1 0 387.527 4.430 20 0 GIADRO CCCn1c(C)c(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c2cc(OC)ccc21 ZINC000058918182 823470249 /nfs/dbraw/zinc/47/02/49/823470249.db2.gz WLKOQLSSTWMDTB-SFHVURJKSA-N 1 0 383.536 4.069 20 0 GIADRO COc1ccc([C@@H](NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)C(C)C)cc1 ZINC000028390600 820332257 /nfs/dbraw/zinc/33/22/57/820332257.db2.gz VNNXVIDOCGCIGS-QHCPKHFHSA-N 1 0 395.547 4.488 20 0 GIADRO CN(Cc1cccc(Cl)c1Cl)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000028398770 820333026 /nfs/dbraw/zinc/33/30/26/820333026.db2.gz GSLYSBLUHPMDJQ-UHFFFAOYSA-N 1 0 380.319 4.397 20 0 GIADRO C[C@H](Cc1cccs1)NC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000028414164 820334569 /nfs/dbraw/zinc/33/45/69/820334569.db2.gz HPMRDKCBRXTBBP-GOSISDBHSA-N 1 0 385.577 4.410 20 0 GIADRO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000058920207 823470755 /nfs/dbraw/zinc/47/07/55/823470755.db2.gz NNBJMVBVQLJWDY-AWEZNQCLSA-N 1 0 391.874 4.143 20 0 GIADRO COc1ccc(NC(=O)[C@@H]([NH2+]CCOc2cccc(C)c2)c2ccccc2)cc1 ZINC000028622694 820345777 /nfs/dbraw/zinc/34/57/77/820345777.db2.gz MRLCKJYZLNVFGD-QHCPKHFHSA-N 1 0 390.483 4.352 20 0 GIADRO COc1ccc(NC(=O)[C@H]([NH2+]CCc2ccccc2F)c2ccccc2)cc1 ZINC000028622637 820345930 /nfs/dbraw/zinc/34/59/30/820345930.db2.gz FUGJTVSZRFMCDI-JOCHJYFZSA-N 1 0 378.447 4.346 20 0 GIADRO Cc1cccnc1[C@@H]([NH2+][C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O)C(C)C ZINC000189673259 823472268 /nfs/dbraw/zinc/47/22/68/823472268.db2.gz UEDZKEPVSCNYNZ-UXHICEINSA-N 1 0 387.474 4.146 20 0 GIADRO CCc1nc2c(s1)[C@H](N(C)C(=O)NC[C@@H](c1cccs1)[NH+](C)C)CCC2 ZINC000123163198 823472326 /nfs/dbraw/zinc/47/23/26/823472326.db2.gz MFHNSHWKRZHCMH-CABCVRRESA-N 1 0 392.594 4.089 20 0 GIADRO Cc1cccnc1[C@@H]([NH2+][C@H]1CCCN(Cc2ccc(F)cc2F)C1=O)C(C)C ZINC000189673293 823472372 /nfs/dbraw/zinc/47/23/72/823472372.db2.gz UEDZKEPVSCNYNZ-PMACEKPBSA-N 1 0 387.474 4.146 20 0 GIADRO Cc1ccc(-c2cnc(CCC(=O)N3CCC([NH+]4CCCCC4)CC3)o2)cc1 ZINC000058936139 823472727 /nfs/dbraw/zinc/47/27/27/823472727.db2.gz FHVWUDSDWCPCLZ-UHFFFAOYSA-N 1 0 381.520 4.060 20 0 GIADRO [NH3+][C@@H](CCC(=O)N1CC=C(c2c[nH]c3cc(F)ccc32)CC1)c1ccccc1 ZINC000573262490 823472788 /nfs/dbraw/zinc/47/27/88/823472788.db2.gz HYGKKJAYNZCQSJ-NRFANRHFSA-N 1 0 377.463 4.403 20 0 GIADRO S=c1oc2cc(Cl)ccc2n1CN1CC[NH+](CCc2ccccc2)CC1 ZINC000028812705 820359960 /nfs/dbraw/zinc/35/99/60/820359960.db2.gz SBUXDYTXLHCTSM-UHFFFAOYSA-N 1 0 387.936 4.435 20 0 GIADRO Cc1ccccc1C(C)(C)[NH2+]CC(=O)NCc1cccc(OCC(F)(F)F)c1 ZINC000573270247 823473550 /nfs/dbraw/zinc/47/35/50/823473550.db2.gz LTOLPEQDCKUYGX-UHFFFAOYSA-N 1 0 394.437 4.077 20 0 GIADRO COc1cccc(C[N@H+](C)CCC(=O)N[C@H](c2cccs2)c2ccccc2)c1 ZINC000028852129 820363666 /nfs/dbraw/zinc/36/36/66/820363666.db2.gz SNHXROXEXBBRSY-QHCPKHFHSA-N 1 0 394.540 4.484 20 0 GIADRO COc1ccc(Br)cc1C[N@H+](C)CCC(=O)Nc1cccc(F)c1 ZINC000028852802 820364306 /nfs/dbraw/zinc/36/43/06/820364306.db2.gz DYAPYWSUKHVNNX-UHFFFAOYSA-N 1 0 395.272 4.057 20 0 GIADRO C[N@H+](CCC(=O)NCc1ccccc1Cl)Cc1ccc(C(F)(F)F)cc1 ZINC000028894784 820368373 /nfs/dbraw/zinc/36/83/73/820368373.db2.gz NVFUXSBYRSGESK-UHFFFAOYSA-N 1 0 384.829 4.497 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1)C(=O)Nc1ccc(F)cc1F ZINC000028893754 820368538 /nfs/dbraw/zinc/36/85/38/820368538.db2.gz QSRQVVAXTHQAGA-WDEREUQCSA-N 1 0 383.236 4.405 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1)C(=O)Nc1cc(F)ccc1F ZINC000028893779 820368823 /nfs/dbraw/zinc/36/88/23/820368823.db2.gz MXCPWELGYOFALJ-QWRGUYRKSA-N 1 0 383.236 4.405 20 0 GIADRO COc1cc2c(cc1C[NH2+][C@H](C)c1ccc(NC(=O)C3CC3)cc1)O[C@H](C)C2 ZINC000028925590 820374574 /nfs/dbraw/zinc/37/45/74/820374574.db2.gz XMHKIIOMOUFDOY-HUUCEWRRSA-N 1 0 380.488 4.218 20 0 GIADRO C[C@H](Cc1cccs1)NC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000410362239 823474386 /nfs/dbraw/zinc/47/43/86/823474386.db2.gz UOHGGBVKGGHXFG-ZWKOTPCHSA-N 1 0 385.577 4.410 20 0 GIADRO C[C@H](NC(=O)NCc1ccc(C[NH+](C)C)cc1)c1ccc(C(F)(F)F)cc1 ZINC000028990235 820380835 /nfs/dbraw/zinc/38/08/35/820380835.db2.gz XXDXGPUGXIEQGR-AWEZNQCLSA-N 1 0 379.426 4.327 20 0 GIADRO CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]CCc1nc3c(cccc3C)o1)CCC2 ZINC000410362260 823474891 /nfs/dbraw/zinc/47/48/91/823474891.db2.gz UTVMENFSUGDOAE-OAHLLOKOSA-N 1 0 382.460 4.424 20 0 GIADRO CCc1cccc2c(C3CCN(C(=O)NC4CC[NH+](C5CC5)CC4)CC3)c[nH]c21 ZINC000123180533 823474935 /nfs/dbraw/zinc/47/49/35/823474935.db2.gz VRSNDPLGYYSIJV-UHFFFAOYSA-N 1 0 394.563 4.246 20 0 GIADRO COc1ccc(CCC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)cc1F ZINC000058952451 823474941 /nfs/dbraw/zinc/47/49/41/823474941.db2.gz CEEVSHPSJMBAME-GOSISDBHSA-N 1 0 398.522 4.315 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)C1 ZINC000058952447 823474982 /nfs/dbraw/zinc/47/49/82/823474982.db2.gz PILMAYGSTWMVPK-ZHRRBRCNSA-N 1 0 398.934 4.192 20 0 GIADRO Cc1ccc(NC(=O)NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)cc1C ZINC000410363512 823475192 /nfs/dbraw/zinc/47/51/92/823475192.db2.gz GFDVTDBPKPTWQK-OALUTQOASA-N 1 0 381.520 4.234 20 0 GIADRO CC(C)[C@H]([NH2+]CC(=O)NCc1ccc(OC(F)F)cc1)c1ccc(F)cc1 ZINC000029117395 820396010 /nfs/dbraw/zinc/39/60/10/820396010.db2.gz RFPXRLSNGVXDIW-IBGZPJMESA-N 1 0 380.410 4.030 20 0 GIADRO C[N@H+](CCCNC(=O)c1cccc(NC(=O)c2cccs2)c1)C1CCCCC1 ZINC000029177229 820405589 /nfs/dbraw/zinc/40/55/89/820405589.db2.gz PCIMFPYOOJIWCH-UHFFFAOYSA-N 1 0 399.560 4.385 20 0 GIADRO O=C(/C=C/c1ccc(Br)o1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000029177335 820406297 /nfs/dbraw/zinc/40/62/97/820406297.db2.gz OZTINZAANSWAQL-KAMXEHQASA-N 1 0 389.293 4.009 20 0 GIADRO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)c1cc(F)ccc1Br ZINC000029178575 820407100 /nfs/dbraw/zinc/40/71/00/820407100.db2.gz DRQAWJQXCDRYPN-GOSISDBHSA-N 1 0 391.284 4.155 20 0 GIADRO COc1ccc(OC)c([C@@H](C)NC(=O)C[NH2+][C@H](c2ccc(F)cc2)C(C)C)c1 ZINC000029198716 820410043 /nfs/dbraw/zinc/41/00/43/820410043.db2.gz STCGTMOYWAMJQU-QRQCRPRQSA-N 1 0 388.483 4.007 20 0 GIADRO Cn1nccc1[C@@H]1C[C@H]([NH2+][C@H](Cc2cccnc2)c2cccc(Cl)c2)CCO1 ZINC000573297714 823478151 /nfs/dbraw/zinc/47/81/51/823478151.db2.gz VYCOBYWJHUQHPP-SJBKTWHCSA-N 1 0 396.922 4.262 20 0 GIADRO Cc1ccc(C[C@@H]([NH2+][C@H]2CCCN(CC(C)(C)C)C2=O)c2ccccn2)cc1 ZINC000460686189 823479154 /nfs/dbraw/zinc/47/91/54/823479154.db2.gz FFQMJWMVSMJBOX-FCHUYYIVSA-N 1 0 379.548 4.301 20 0 GIADRO COCCn1c(C)c(C)n(C[N@@H+]2CCC[C@H]2c2ccc(OC)cc2)c1=S ZINC000123209429 823479166 /nfs/dbraw/zinc/47/91/66/823479166.db2.gz LSTKCXQALZFRON-IBGZPJMESA-N 1 0 375.538 4.086 20 0 GIADRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)Nc3ccc(Cl)cc3)cc2)C[C@H](C)O1 ZINC000410373742 823479249 /nfs/dbraw/zinc/47/92/49/823479249.db2.gz XQLOENGQSVIWCY-HOTGVXAUSA-N 1 0 387.911 4.271 20 0 GIADRO CC1CC[NH+](Cc2ccc(CNC(=O)c3ccccc3SCC#N)cc2)CC1 ZINC000029358465 820443290 /nfs/dbraw/zinc/44/32/90/820443290.db2.gz RONIHVPSYBTFCM-UHFFFAOYSA-N 1 0 393.556 4.464 20 0 GIADRO O=C(Cc1c(Cl)cccc1Cl)NCC1([NH+]2CCSCC2)CCCC1 ZINC000029371638 820445048 /nfs/dbraw/zinc/44/50/48/820445048.db2.gz HOXHTUCOQXCFJT-UHFFFAOYSA-N 1 0 387.376 4.014 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)CSCc3cccs3)c(C)c2)CC1 ZINC000029375397 820445763 /nfs/dbraw/zinc/44/57/63/820445763.db2.gz XILRJDCGRPGGLE-UHFFFAOYSA-N 1 0 389.590 4.070 20 0 GIADRO CCCCN(C)C(=O)C1CC[NH+](Cc2ccc(C)c(Br)c2)CC1 ZINC000123215868 823479874 /nfs/dbraw/zinc/47/98/74/823479874.db2.gz JTZLLYJNAKQPMN-UHFFFAOYSA-N 1 0 381.358 4.228 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1occc1Br ZINC000177515913 823480228 /nfs/dbraw/zinc/48/02/28/823480228.db2.gz KQAWGACBXWNYOL-MRXNPFEDSA-N 1 0 391.309 4.026 20 0 GIADRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)c1csc(-c2ccccc2)n1 ZINC000058991151 823480256 /nfs/dbraw/zinc/48/02/56/823480256.db2.gz VVLAAQWIZKNFOK-UHFFFAOYSA-N 1 0 383.492 4.153 20 0 GIADRO CCCc1noc2nc(C3CC3)cc(C(=O)NC[C@H](c3ccccc3)[NH+](C)C)c12 ZINC000058996538 823480588 /nfs/dbraw/zinc/48/05/88/823480588.db2.gz ROSFANYVAQVHQK-HXUWFJFHSA-N 1 0 392.503 4.085 20 0 GIADRO Cc1cccc(COc2ccc(CNC(=O)N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)c1 ZINC000410387489 823483332 /nfs/dbraw/zinc/48/33/32/823483332.db2.gz GRDTVUCQBWZKFP-FGZHOGPDSA-N 1 0 393.531 4.000 20 0 GIADRO COc1ccc(NC(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1OC ZINC000410376362 823480743 /nfs/dbraw/zinc/48/07/43/823480743.db2.gz TUCXAWKQEVJLOT-KRWDZBQOSA-N 1 0 397.519 4.257 20 0 GIADRO Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000410380918 823481620 /nfs/dbraw/zinc/48/16/20/823481620.db2.gz JSNJMACDHZVARG-HXUWFJFHSA-N 1 0 399.535 4.041 20 0 GIADRO Cc1c(C(=O)NCc2ccccc2C[NH+]2CCCC2)cnn1-c1ccc(C)cc1 ZINC000029552199 820475149 /nfs/dbraw/zinc/47/51/49/820475149.db2.gz OKWDQZMYSVMXMI-UHFFFAOYSA-N 1 0 388.515 4.015 20 0 GIADRO CC[NH2+]Cc1cccc(NC(=O)CCc2ccc(OC)c(Br)c2)c1 ZINC000123239124 823483653 /nfs/dbraw/zinc/48/36/53/823483653.db2.gz ZMEZMIKELVZMGL-UHFFFAOYSA-N 1 0 391.309 4.139 20 0 GIADRO CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)c1C ZINC000059004168 823482126 /nfs/dbraw/zinc/48/21/26/823482126.db2.gz NKADIYVZZOTRTG-HMAPJEAMSA-N 1 0 384.568 4.001 20 0 GIADRO C[C@H](CCc1ccco1)NC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000410383216 823482259 /nfs/dbraw/zinc/48/22/59/823482259.db2.gz NWSBRRLXWYJPCK-RBUKOAKNSA-N 1 0 383.536 4.332 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C)cc3)nc2)C1 ZINC000177527175 823482679 /nfs/dbraw/zinc/48/26/79/823482679.db2.gz VQVWUGCVTXKUAI-SFHVURJKSA-N 1 0 382.508 4.378 20 0 GIADRO Cc1ccc(-n2ncc(C(=O)NC[C@H](c3ccsc3)[NH+](C)C)c2C(C)C)cc1 ZINC000029665699 820495766 /nfs/dbraw/zinc/49/57/66/820495766.db2.gz JXAORWXYJRDJOH-HXUWFJFHSA-N 1 0 396.560 4.398 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1ccccc1C(=O)c1ccc(F)cc1)c1ccccc1 ZINC000029679864 820497117 /nfs/dbraw/zinc/49/71/17/820497117.db2.gz QRCUNNSPBVMEAU-JOCHJYFZSA-N 1 0 390.458 4.089 20 0 GIADRO CC(C)Oc1ccc(CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000059037928 823484208 /nfs/dbraw/zinc/48/42/08/823484208.db2.gz FHRFAOFWROPGQV-IBGZPJMESA-N 1 0 387.549 4.172 20 0 GIADRO O=C(Nc1ccccc1O)C1CC[NH+](Cc2cc(-c3ccc(F)cc3)no2)CC1 ZINC000029708880 820503374 /nfs/dbraw/zinc/50/33/74/820503374.db2.gz QHAUGVICJCKTQE-UHFFFAOYSA-N 1 0 395.434 4.037 20 0 GIADRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000029713749 820504620 /nfs/dbraw/zinc/50/46/20/820504620.db2.gz RARWSZDEZPQPNJ-UYAOXDASSA-N 1 0 386.430 4.200 20 0 GIADRO COc1ccc(C(=O)NCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)c(F)c1 ZINC000059057297 823484983 /nfs/dbraw/zinc/48/49/83/823484983.db2.gz SDUPEARUMQEFIF-IRXDYDNUSA-N 1 0 384.495 4.242 20 0 GIADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(C)c(F)c2)CC1 ZINC000029763651 820512566 /nfs/dbraw/zinc/51/25/66/820512566.db2.gz NFICBBCBFAHQCK-UHFFFAOYSA-N 1 0 375.875 4.182 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1cc(Br)ccc1Cl)c1cccc(F)c1 ZINC000029836877 820529375 /nfs/dbraw/zinc/52/93/75/820529375.db2.gz JUGSHJGSZVHASV-MRXNPFEDSA-N 1 0 399.691 4.274 20 0 GIADRO C[C@H](c1ccccc1Cl)N1CC[NH+](Cc2c(O)ccc3ccncc32)CC1 ZINC000029888891 820539874 /nfs/dbraw/zinc/53/98/74/820539874.db2.gz KGXHPZVIVHQBFX-MRXNPFEDSA-N 1 0 381.907 4.473 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1cc(Cl)nc(Cl)c1)Cc1ccccc1 ZINC000029920590 820548638 /nfs/dbraw/zinc/54/86/38/820548638.db2.gz MTYCGBQASIBXCY-INIZCTEOSA-N 1 0 380.319 4.071 20 0 GIADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cc(NC(=O)CC(C)(C)C)ccc2Cl)C1 ZINC000177547553 823487913 /nfs/dbraw/zinc/48/79/13/823487913.db2.gz DQUOQJJPJCVUQV-GDBMZVCRSA-N 1 0 393.959 4.317 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CSc1ccccc1OC ZINC000123280512 823489839 /nfs/dbraw/zinc/48/98/39/823489839.db2.gz WPQSZOZCEWLRKL-FQEVSTJZSA-N 1 0 398.572 4.158 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)CCOc3cc(C)cc(C)c3)c(C)c2)CC1 ZINC000029967892 820558039 /nfs/dbraw/zinc/55/80/39/820558039.db2.gz UAVZOYBYQBXFAG-UHFFFAOYSA-N 1 0 395.547 4.161 20 0 GIADRO CC(C)CC(=O)Nc1ccc(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)cc1F ZINC000460706974 823488915 /nfs/dbraw/zinc/48/89/15/823488915.db2.gz CHSWWKRFUWVMHV-KRWDZBQOSA-N 1 0 391.531 4.052 20 0 GIADRO CCc1cc2c(ncnc2NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)s1 ZINC000030001570 820566034 /nfs/dbraw/zinc/56/60/34/820566034.db2.gz ULVNCGKEODOOMO-IYBDPMFKSA-N 1 0 396.560 4.475 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1cc(-c2cccc(Cl)c2)on1)c1cccs1 ZINC000030016222 820569604 /nfs/dbraw/zinc/56/96/04/820569604.db2.gz FATUCMIYWQUOQZ-HNNXBMFYSA-N 1 0 375.881 4.089 20 0 GIADRO C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@H](C)[C@H](OC1CCOCC1)c1ccccc1 ZINC000123306752 823493956 /nfs/dbraw/zinc/49/39/56/823493956.db2.gz RBXLKVYSMOIVJF-IECBHUPTSA-N 1 0 396.531 4.319 20 0 GIADRO Cc1nc(C)c(C[NH2+][C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)s1 ZINC000123307629 823494071 /nfs/dbraw/zinc/49/40/71/823494071.db2.gz DYYWNSSBADQSGK-INIZCTEOSA-N 1 0 397.466 4.232 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Nc1cnn([C@H](C)C2CC2)c1)c1ccsc1 ZINC000189785375 823494087 /nfs/dbraw/zinc/49/40/87/823494087.db2.gz XSRHALHUDUNAAM-RDTXWAMCSA-N 1 0 375.542 4.120 20 0 GIADRO C[N@H+](CCC(=O)N[C@@H]1CCCc2ccccc21)Cc1ccc(Br)o1 ZINC000030217441 820588221 /nfs/dbraw/zinc/58/82/21/820588221.db2.gz BQSIYZKEYIUCKJ-QGZVFWFLSA-N 1 0 391.309 4.058 20 0 GIADRO O[C@H](CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1cccc(F)c1 ZINC000059370377 823494437 /nfs/dbraw/zinc/49/44/37/823494437.db2.gz IVJVOZVXSUNQPW-XMMPIXPASA-N 1 0 390.502 4.266 20 0 GIADRO CC[C@H](c1ccc(F)cc1)[N@H+](CC)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000123310504 823494595 /nfs/dbraw/zinc/49/45/95/823494595.db2.gz ZHABLKWELLSNRK-JOCHJYFZSA-N 1 0 399.510 4.074 20 0 GIADRO CCC[C@@H](C)[N@H+](C)CC(=O)Nc1ccccc1C(=O)Nc1ccc(OC)cc1 ZINC000030270010 820593353 /nfs/dbraw/zinc/59/33/53/820593353.db2.gz PSVAJEKFNRHHSB-MRXNPFEDSA-N 1 0 383.492 4.006 20 0 GIADRO CC(C)Cc1ccc([C@H](C)NC(=O)CN2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000059387050 823494648 /nfs/dbraw/zinc/49/46/48/823494648.db2.gz LJFYDLOWVXUIPZ-FQEVSTJZSA-N 1 0 385.596 4.013 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@H]1c1cccc(OC)c1)CC(C)C ZINC000059296985 823490160 /nfs/dbraw/zinc/49/01/60/823490160.db2.gz ZDQRBKGNWOIIGM-FPOVZHCZSA-N 1 0 375.557 4.298 20 0 GIADRO C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1Cc1csc(-c2ccc(C(N)=O)cc2)n1 ZINC000177558443 823490555 /nfs/dbraw/zinc/49/05/55/823490555.db2.gz QVLXDYIWNGIXOZ-MGPUTAFESA-N 1 0 377.513 4.287 20 0 GIADRO CSc1nnc(CCC[NH2+]Cc2ccc3c(c2)CC(C)(C)O3)n1CC(C)C ZINC000177559300 823490937 /nfs/dbraw/zinc/49/09/37/823490937.db2.gz UONMIFMKLLOUSR-UHFFFAOYSA-N 1 0 388.581 4.092 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cc(F)ccc2F)ccc1OC(C)C ZINC000030492715 820623361 /nfs/dbraw/zinc/62/33/61/820623361.db2.gz IKXACKHMULYONU-KBPBESRZSA-N 1 0 392.446 4.438 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc(F)c2)cc1Br ZINC000030510104 820627452 /nfs/dbraw/zinc/62/74/52/820627452.db2.gz RGXGMYMNXSRXCN-RYUDHWBXSA-N 1 0 395.272 4.275 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(F)c2)cc1Br ZINC000030510110 820627466 /nfs/dbraw/zinc/62/74/66/820627466.db2.gz RGXGMYMNXSRXCN-NWDGAFQWSA-N 1 0 395.272 4.275 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(COCc2ccco2)c1)C(=O)NC1CCC(C)CC1 ZINC000030511176 820627900 /nfs/dbraw/zinc/62/79/00/820627900.db2.gz OBYKTRZQUSEZOQ-WBTXTPOCSA-N 1 0 384.520 4.169 20 0 GIADRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(-c2ccccc2)cc1)c1ccc2c(c1)OCO2 ZINC000030535940 820634659 /nfs/dbraw/zinc/63/46/59/820634659.db2.gz JVYGXPDZJRJDSZ-UTKZUKDTSA-N 1 0 391.467 4.173 20 0 GIADRO CC[C@H]([NH2+]CCC(=O)NC(=O)Nc1ccccc1)c1ccccc1OC(F)F ZINC000030534845 820634682 /nfs/dbraw/zinc/63/46/82/820634682.db2.gz JSVJNTAKABPUEW-INIZCTEOSA-N 1 0 391.418 4.067 20 0 GIADRO CCOc1ccc([C@@H]([NH2+]C[C@@H](O)COc2ccccc2F)c2ccccc2)cc1 ZINC000030537150 820634787 /nfs/dbraw/zinc/63/47/87/820634787.db2.gz VHDHBJUERWSBBA-YKSBVNFPSA-N 1 0 395.474 4.343 20 0 GIADRO CC[NH+](CC)CCOc1ccc(CNC(=O)[C@@H](C)c2cccc(Cl)c2)cc1 ZINC000460714822 823492700 /nfs/dbraw/zinc/49/27/00/823492700.db2.gz IPFIARFELMGVQK-KRWDZBQOSA-N 1 0 388.939 4.481 20 0 GIADRO O=C(Cc1coc2cc3c(cc12)CCC3)NCc1ccccc1C[NH+]1CCCC1 ZINC000030556282 820640331 /nfs/dbraw/zinc/64/03/31/820640331.db2.gz PLIRQRZYMSPKBY-UHFFFAOYSA-N 1 0 388.511 4.376 20 0 GIADRO C/C=C/c1ccc(OC[C@H](O)C[NH+]2CCC(CC(F)(F)F)CC2)c(OC)c1 ZINC000573466269 823493476 /nfs/dbraw/zinc/49/34/76/823493476.db2.gz QBJCAVKVYFKACV-REMYHPOOSA-N 1 0 387.442 4.132 20 0 GIADRO COc1ccc(C)cc1CC[NH2+]Cc1ccc(OCc2ccncc2)c(OC)c1 ZINC000030628345 820653001 /nfs/dbraw/zinc/65/30/01/820653001.db2.gz MKFKUMCUVLNXBA-UHFFFAOYSA-N 1 0 392.499 4.319 20 0 GIADRO COc1ccc2ccccc2c1CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000123319251 823495524 /nfs/dbraw/zinc/49/55/24/823495524.db2.gz GRUCOGVWCZBZLM-PGRDOPGGSA-N 1 0 393.531 4.007 20 0 GIADRO COCc1ccc(C[NH2+]Cc2ccc(OCc3ccncc3)c(OC)c2)cc1 ZINC000030631628 820654455 /nfs/dbraw/zinc/65/44/55/820654455.db2.gz ARHLUTWTTCRVPG-UHFFFAOYSA-N 1 0 378.472 4.105 20 0 GIADRO O=C(CCC[NH2+]Cc1cnc(-c2cccs2)s1)N1CCc2ccccc21 ZINC000177579768 823495565 /nfs/dbraw/zinc/49/55/65/823495565.db2.gz XZGXKFZIQAMXRY-UHFFFAOYSA-N 1 0 383.542 4.331 20 0 GIADRO COc1cc(Br)c(C[NH2+]CC2(c3ccccc3)CC2)cc1OC ZINC000030637533 820655712 /nfs/dbraw/zinc/65/57/12/820655712.db2.gz QNBPFMSVSXKKMZ-UHFFFAOYSA-N 1 0 376.294 4.288 20 0 GIADRO COc1ccc(C(=O)Nc2cccc(CNC[C@@H](C(C)C)[NH+]3CCCC3)c2)cc1 ZINC000030666520 820661345 /nfs/dbraw/zinc/66/13/45/820661345.db2.gz SNSJOEZXDSRXJZ-QHCPKHFHSA-N 1 0 395.547 4.158 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)NCCc2ccc(Br)s2)cc1 ZINC000030680878 820664725 /nfs/dbraw/zinc/66/47/25/820664725.db2.gz XWUQQBMYFMCSRL-UHFFFAOYSA-N 1 0 395.366 4.325 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1cccc(OC)c1OC)c1ccccc1Cl ZINC000030713337 820669669 /nfs/dbraw/zinc/66/96/69/820669669.db2.gz XKJUJEKUYZHOCQ-SFHVURJKSA-N 1 0 390.911 4.170 20 0 GIADRO CC(C)Oc1cccc(CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000059852738 823500684 /nfs/dbraw/zinc/50/06/84/823500684.db2.gz SORIWAIOCZXYCX-IBGZPJMESA-N 1 0 387.549 4.172 20 0 GIADRO Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)Nc3ccc(C[NH+](C)C)cc3)c12 ZINC000030773079 820680378 /nfs/dbraw/zinc/68/03/78/820680378.db2.gz XOZGCKQVBIFOSL-UHFFFAOYSA-N 1 0 399.498 4.258 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)cc1 ZINC000030835499 820688935 /nfs/dbraw/zinc/68/89/35/820688935.db2.gz ZUBPIKFTYGZFQJ-QFIPXVFZSA-N 1 0 382.504 4.339 20 0 GIADRO c1cn(Cc2cccc(C[NH2+]Cc3ccccc3OCc3cccnc3)c2)cn1 ZINC000030901855 820705925 /nfs/dbraw/zinc/70/59/25/820705925.db2.gz JSINBNWZKTWYTO-UHFFFAOYSA-N 1 0 384.483 4.195 20 0 GIADRO CCc1ccc(-c2nn(-c3ccccc3C)cc2C[NH2+]Cc2ccnn2C)cc1 ZINC000030906788 820705984 /nfs/dbraw/zinc/70/59/84/820705984.db2.gz CFVOTQNLTMCSQP-UHFFFAOYSA-N 1 0 385.515 4.433 20 0 GIADRO Cn1nccc1C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 ZINC000030906872 820706122 /nfs/dbraw/zinc/70/61/22/820706122.db2.gz ZVABTJRIPVMTSG-UHFFFAOYSA-N 1 0 397.482 4.368 20 0 GIADRO Cc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]Cc2ccnn2C)cc1C ZINC000030906839 820706193 /nfs/dbraw/zinc/70/61/93/820706193.db2.gz RAESSRLYTKJLST-UHFFFAOYSA-N 1 0 385.515 4.239 20 0 GIADRO COc1cc(C[NH2+][C@H]2CCCc3c2cnn3C)ccc1OCc1cccs1 ZINC000030908743 820706718 /nfs/dbraw/zinc/70/67/18/820706718.db2.gz SXVJPUUPPHVYSY-SFHVURJKSA-N 1 0 383.517 4.236 20 0 GIADRO CC(C)(C)NC(=O)c1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000030942476 820710496 /nfs/dbraw/zinc/71/04/96/820710496.db2.gz ZAQFPIIWCQFXAO-LJQANCHMSA-N 1 0 393.531 4.066 20 0 GIADRO CC(C)c1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)cc1 ZINC000030958310 820711792 /nfs/dbraw/zinc/71/17/92/820711792.db2.gz VHBATUNYPHYZKP-LJQANCHMSA-N 1 0 395.547 4.106 20 0 GIADRO Cc1noc(C)c1CCCNC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000123346936 823499809 /nfs/dbraw/zinc/49/98/09/823499809.db2.gz KSCOGLDVIDCZEB-UHFFFAOYSA-N 1 0 398.551 4.099 20 0 GIADRO C[C@H]([NH2+][C@@H]1c2cccc(F)c2CC[C@@H]1C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177605475 823499987 /nfs/dbraw/zinc/49/99/87/823499987.db2.gz GMTPMXNOSMYZMD-GXZWQRSESA-N 1 0 390.524 4.050 20 0 GIADRO O=S(=O)(NCc1ccccc1C[NH+]1CCCC1)c1cc(Cl)cc(Cl)c1 ZINC000031075368 820735046 /nfs/dbraw/zinc/73/50/46/820735046.db2.gz DOZXAKYBAVNXAP-UHFFFAOYSA-N 1 0 399.343 4.068 20 0 GIADRO CC(C)[C@@H](CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000031088128 820737723 /nfs/dbraw/zinc/73/77/23/820737723.db2.gz KTEFPJVIDZYTHH-HSZRJFAPSA-N 1 0 379.548 4.390 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)COc2ccc(Cl)cc2Cl)C1 ZINC000059989845 823504328 /nfs/dbraw/zinc/50/43/28/823504328.db2.gz NSSSVWXGTMNIJP-PBHICJAKSA-N 1 0 393.314 4.324 20 0 GIADRO CC[C@H](NC(=O)NCc1ccccc1C[NH+]1CCCC1)c1ccccc1OC ZINC000031102816 820743108 /nfs/dbraw/zinc/74/31/08/820743108.db2.gz BEWTVZUHCNURCB-NRFANRHFSA-N 1 0 381.520 4.242 20 0 GIADRO C[N@H+](CCCNC(=O)N[C@H]1CCSc2c(F)cccc21)Cc1ccccc1 ZINC000031105998 820744363 /nfs/dbraw/zinc/74/43/63/820744363.db2.gz MGRZMGJAVROHLI-IBGZPJMESA-N 1 0 387.524 4.184 20 0 GIADRO CC[C@@H](NC(=O)NCc1cccc(C[NH+](C)C)c1)c1ccccc1OC(F)F ZINC000031125300 820747708 /nfs/dbraw/zinc/74/77/08/820747708.db2.gz SMWDVACXSPNZBS-GOSISDBHSA-N 1 0 391.462 4.300 20 0 GIADRO O[C@H]1Cc2ccccc2[C@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000060062141 823506426 /nfs/dbraw/zinc/50/64/26/823506426.db2.gz LYGNVCPAABKXGZ-UKILVPOCSA-N 1 0 399.469 4.426 20 0 GIADRO C[C@](O)(CC[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1)c1ccccc1 ZINC000189843453 823504917 /nfs/dbraw/zinc/50/49/17/823504917.db2.gz VNHGOOHUTLGBNZ-VWLOTQADSA-N 1 0 398.510 4.322 20 0 GIADRO C[NH+]1CCN(Cc2cccc(NC(=O)C3(c4ccc(F)cc4)CCCC3)c2)CC1 ZINC000060030237 823505121 /nfs/dbraw/zinc/50/51/21/823505121.db2.gz JZTZGNOWMMOPSH-UHFFFAOYSA-N 1 0 395.522 4.024 20 0 GIADRO CSc1ccc([C@H](C)NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000031150119 820754642 /nfs/dbraw/zinc/75/46/42/820754642.db2.gz FRCHPVWRINXTIX-SFHVURJKSA-N 1 0 397.588 4.476 20 0 GIADRO 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 823505188 /nfs/dbraw/zinc/50/51/88/823505188.db2.gz OCCODBARPCWIQM-CHWSQXEVSA-N 1 0 390.833 4.390 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H](C)C[C@@H](O)c1ccc(F)cc1)CC3 ZINC000123396126 823505243 /nfs/dbraw/zinc/50/52/43/823505243.db2.gz AKDGQPRGEHNYOZ-KFOHMRLHSA-N 1 0 382.479 4.275 20 0 GIADRO CCOc1ccc(CN(C)C(=O)NC[C@@H](c2ccsc2)[NH+](CC)CC)cc1 ZINC000031193866 820765424 /nfs/dbraw/zinc/76/54/24/820765424.db2.gz RNKLAYGTJKNEPV-FQEVSTJZSA-N 1 0 389.565 4.371 20 0 GIADRO COc1ccccc1CCC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000031200745 820767550 /nfs/dbraw/zinc/76/75/50/820767550.db2.gz AHXVPFOAWRFOHV-UHFFFAOYSA-N 1 0 380.532 4.176 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1cc2c(cccc2OC(F)F)[nH]1 ZINC000031220236 820772850 /nfs/dbraw/zinc/77/28/50/820772850.db2.gz RWSRBPRBWGWBCP-UHFFFAOYSA-N 1 0 399.441 4.295 20 0 GIADRO CC(C)C[NH+]1CCN(C(=O)c2ccc(-c3cc(F)c(F)c(F)c3)cc2)CC1 ZINC000460743428 823502212 /nfs/dbraw/zinc/50/22/12/823502212.db2.gz ONTXCJPSQWLNLG-UHFFFAOYSA-N 1 0 376.422 4.185 20 0 GIADRO CC[NH2+]Cc1cccc(NC(=O)[C@@H](C)Oc2ccc(F)cc2Br)c1 ZINC000123380497 823503515 /nfs/dbraw/zinc/50/35/15/823503515.db2.gz VAVRLARFMRMFBO-GFCCVEGCSA-N 1 0 395.272 4.104 20 0 GIADRO CCOc1ccc(F)c(NC(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)c1F ZINC000410622047 823506799 /nfs/dbraw/zinc/50/67/99/823506799.db2.gz HQMWNHLQDCNALD-GHMZBOCLSA-N 1 0 394.384 4.211 20 0 GIADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cc(-c3ccncc3)nc3ccccc32)C1 ZINC000060207629 823511890 /nfs/dbraw/zinc/51/18/90/823511890.db2.gz USUDNTKVSXQZPA-SFHVURJKSA-N 1 0 388.515 4.147 20 0 GIADRO COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H](C)C[C@H](C)O)cc1 ZINC000123466297 823511871 /nfs/dbraw/zinc/51/18/71/823511871.db2.gz CCOUWSAGPOORQB-MSOLQXFVSA-N 1 0 379.504 4.045 20 0 GIADRO C[C@H](NC(=O)N(Cc1c(F)cccc1F)C1CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000189866588 823507790 /nfs/dbraw/zinc/50/77/90/823507790.db2.gz GUPISOQVKOKHMA-JKSUJKDBSA-N 1 0 391.506 4.292 20 0 GIADRO COc1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)ccc1OCC(C)C ZINC000031566194 820827147 /nfs/dbraw/zinc/82/71/47/820827147.db2.gz FZRMIKQDKQTJJG-OAQYLSRUSA-N 1 0 396.531 4.124 20 0 GIADRO Cc1cc(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)ccc1NC(=O)CC(C)C ZINC000460772639 823508248 /nfs/dbraw/zinc/50/82/48/823508248.db2.gz RMFNCVDNMIJAFB-LJQANCHMSA-N 1 0 387.549 4.074 20 0 GIADRO Cc1nc(C(=O)Nc2cccc(CC[N@@H+](C)C3CC3)c2)c(Br)s1 ZINC000410666960 823508392 /nfs/dbraw/zinc/50/83/92/823508392.db2.gz GXRIBXDRMLQKHY-UHFFFAOYSA-N 1 0 394.338 4.103 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)CCc1nc2ccccc2s1)Cc1ccccc1 ZINC000031657892 820840602 /nfs/dbraw/zinc/84/06/02/820840602.db2.gz YVZOCZJXBQDHQE-IBGZPJMESA-N 1 0 395.572 4.298 20 0 GIADRO CC[C@H](NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)c1c(C)noc1C ZINC000123439508 823509135 /nfs/dbraw/zinc/50/91/35/823509135.db2.gz MLLRIACLPJIKQK-FQEVSTJZSA-N 1 0 384.524 4.049 20 0 GIADRO C[C@H](C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)n1cnc2ccccc21 ZINC000031810603 820863376 /nfs/dbraw/zinc/86/33/76/820863376.db2.gz JOKVDLYOPAFOHV-IIBYNOLFSA-N 1 0 396.922 4.204 20 0 GIADRO C[C@H](C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)n1cnc2ccccc21 ZINC000031810613 820863459 /nfs/dbraw/zinc/86/34/59/820863459.db2.gz JOKVDLYOPAFOHV-IERDGZPVSA-N 1 0 396.922 4.204 20 0 GIADRO Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000031854955 820867954 /nfs/dbraw/zinc/86/79/54/820867954.db2.gz XUHSQOKAJHYFEN-CAPFRKAQSA-N 1 0 375.472 4.015 20 0 GIADRO Cc1nc([C@H]2CCCN2C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cs1 ZINC000189898302 823511374 /nfs/dbraw/zinc/51/13/74/823511374.db2.gz GSPMHDSTDVKLIU-UXHICEINSA-N 1 0 384.549 4.135 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1cnn(-c2cccc(C)c2)c1C)c1ccsc1 ZINC000031984282 820883335 /nfs/dbraw/zinc/88/33/35/820883335.db2.gz TWEVKKHDILAMMT-NRFANRHFSA-N 1 0 396.560 4.364 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1c[nH]nc1-c1ccc(F)cc1)c1ccsc1 ZINC000031984911 820883556 /nfs/dbraw/zinc/88/35/56/820883556.db2.gz PYSXNRGLWVFVTN-GOSISDBHSA-N 1 0 386.496 4.090 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)COc1ccc(F)cc1Cl)c1ccsc1 ZINC000031986830 820884984 /nfs/dbraw/zinc/88/49/84/820884984.db2.gz NPIYJPKYHMXDSZ-INIZCTEOSA-N 1 0 384.904 4.119 20 0 GIADRO CCc1ccc(CN(C)C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000060244759 823513232 /nfs/dbraw/zinc/51/32/32/823513232.db2.gz ZVXTURHHFQVUKU-HXUWFJFHSA-N 1 0 385.577 4.364 20 0 GIADRO CN(Cc1ccccc1Cl)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000060244844 823513433 /nfs/dbraw/zinc/51/34/33/823513433.db2.gz WSXKMSQWKLXUOF-MRXNPFEDSA-N 1 0 391.968 4.455 20 0 GIADRO Cc1c(O)ccc2c(C[N@@H+](Cc3cccc(F)c3)C[C@@H]3CCCO3)cc(=O)oc12 ZINC000060269490 823513839 /nfs/dbraw/zinc/51/38/39/823513839.db2.gz ZVVOVUPDSRJSOK-IBGZPJMESA-N 1 0 397.446 4.127 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)CCC(=O)c1ccc2ccccc2c1)Cc1ccccc1 ZINC000032216757 820903611 /nfs/dbraw/zinc/90/36/11/820903611.db2.gz PSAVGYFMEODFGJ-QHCPKHFHSA-N 1 0 388.511 4.092 20 0 GIADRO O=C(CC[N@@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1)Nc1ccccc1Cl ZINC000060269402 823513891 /nfs/dbraw/zinc/51/38/91/823513891.db2.gz AKVLESCORNUPPR-SFHVURJKSA-N 1 0 390.886 4.489 20 0 GIADRO Cc1ccc(-c2cc(C(=O)NC[C@H](c3cccs3)[NH+]3CCCC3)[nH]n2)cc1 ZINC000032239143 820903998 /nfs/dbraw/zinc/90/39/98/820903998.db2.gz RUNLLMDQVXYLGA-LJQANCHMSA-N 1 0 380.517 4.014 20 0 GIADRO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1ccccc1SC(F)(F)F ZINC000032355315 820922872 /nfs/dbraw/zinc/92/28/72/820922872.db2.gz PKDBIWWRFQVDRU-UHFFFAOYSA-N 1 0 380.435 4.087 20 0 GIADRO C[C@H](CNC(=O)c1ccccc1SC(F)(F)F)[N@@H+]1CCc2ccccc2C1 ZINC000032369467 820927299 /nfs/dbraw/zinc/92/72/99/820927299.db2.gz RLVYLYCRSUAGLI-CQSZACIVSA-N 1 0 394.462 4.475 20 0 GIADRO COc1ccc2sc(C(=O)NC[C@@H](c3cccc(OC)c3)[NH+](C)C)c(C)c2c1 ZINC000460797353 823515248 /nfs/dbraw/zinc/51/52/48/823515248.db2.gz UKTMTYUHVSTBJW-IBGZPJMESA-N 1 0 398.528 4.260 20 0 GIADRO COc1ccc(C[NH2+][C@H]2COc3ccc(C)cc32)cc1OCc1cccnc1 ZINC000123504346 823515406 /nfs/dbraw/zinc/51/54/06/823515406.db2.gz KYBYZABZYOICFG-FQEVSTJZSA-N 1 0 376.456 4.201 20 0 GIADRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1csc(-c2cccs2)n1 ZINC000032400374 820934589 /nfs/dbraw/zinc/93/45/89/820934589.db2.gz LSVYOADUASAPGO-UHFFFAOYSA-N 1 0 383.542 4.050 20 0 GIADRO C[C@@H](CCCOc1ccccc1C(N)=O)[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000123511908 823516139 /nfs/dbraw/zinc/51/61/39/823516139.db2.gz OHAXYCZUABXPMU-SFHVURJKSA-N 1 0 389.499 4.185 20 0 GIADRO CCOc1ccc(C(=O)NC[C@H](CC)[N@@H+]2CCc3ccccc3C2)cc1OCC ZINC000032445944 820945920 /nfs/dbraw/zinc/94/59/20/820945920.db2.gz GMTPBLITSMYZIQ-NRFANRHFSA-N 1 0 396.531 4.051 20 0 GIADRO Cc1nc2ccccc2c(C)c1CC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000032445782 820946136 /nfs/dbraw/zinc/94/61/36/820946136.db2.gz BTFODMYBPFIUKV-UHFFFAOYSA-N 1 0 387.527 4.306 20 0 GIADRO O=C(Nc1ccc(Cl)cc1-n1cccn1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000189946151 823516785 /nfs/dbraw/zinc/51/67/85/823516785.db2.gz FHOKVNVVZRCXSO-BEFAXECRSA-N 1 0 399.926 4.006 20 0 GIADRO O=C(CCCc1ncc(-c2ccccc2)o1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000032476974 820954937 /nfs/dbraw/zinc/95/49/37/820954937.db2.gz RUKKOOIHJFSFIB-IBGZPJMESA-N 1 0 393.487 4.211 20 0 GIADRO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000032476990 820955119 /nfs/dbraw/zinc/95/51/19/820955119.db2.gz BQUFAQUUYAYWEB-DZGCQCFKSA-N 1 0 397.302 4.307 20 0 GIADRO Cc1cc(C(=O)NCC[NH+](C(C)C)C(C)C)cc(C)c1OCc1cccnc1 ZINC000032480602 820956346 /nfs/dbraw/zinc/95/63/46/820956346.db2.gz QQLJJBHRRAPXDG-UHFFFAOYSA-N 1 0 383.536 4.126 20 0 GIADRO COc1ccc([C@H](CNC(=O)c2ccc3cc[nH]c3c2)[NH+]2CCCCC2)cc1 ZINC000032485614 820957964 /nfs/dbraw/zinc/95/79/64/820957964.db2.gz TWZWZZFDWZSVBX-QFIPXVFZSA-N 1 0 377.488 4.134 20 0 GIADRO CCCCOc1ccc(C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)cc1OCC ZINC000060395370 823523572 /nfs/dbraw/zinc/52/35/72/823523572.db2.gz VTSGUSUUAGBUHQ-UHFFFAOYSA-N 1 0 390.568 4.457 20 0 GIADRO Cc1ccc([C@H](CNC(=O)Cn2ccc3ccc(Cl)cc32)[NH+]2CCCC2)o1 ZINC000060354962 823518828 /nfs/dbraw/zinc/51/88/28/823518828.db2.gz AJGOJAVTPCCPGG-IBGZPJMESA-N 1 0 385.895 4.149 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@@H](C)Cc2cccs2)ccc1S(=O)(=O)C(F)F ZINC000177742747 823519198 /nfs/dbraw/zinc/51/91/98/823519198.db2.gz ODRDDXLAMFIISI-NWDGAFQWSA-N 1 0 389.489 4.035 20 0 GIADRO Cc1cc(C)n(-c2ccccc2C[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)n1 ZINC000123540800 823519303 /nfs/dbraw/zinc/51/93/03/823519303.db2.gz ROKVRRBLIPKMGS-IBGZPJMESA-N 1 0 388.515 4.467 20 0 GIADRO CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+]CC1(CCO)CC1 ZINC000189998067 823523693 /nfs/dbraw/zinc/52/36/93/823523693.db2.gz WCOBXWQBWYXLMP-UHFFFAOYSA-N 1 0 392.341 4.010 20 0 GIADRO COCCC[C@H]([NH2+]CCc1c(C)nn(C)c1C)c1ccc(Br)cc1 ZINC000177745409 823519798 /nfs/dbraw/zinc/51/97/98/823519798.db2.gz CGUZBXWHZTYJDF-IBGZPJMESA-N 1 0 394.357 4.099 20 0 GIADRO Cc1nc(-c2cccs2)ccc1C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000032729835 820998706 /nfs/dbraw/zinc/99/87/06/820998706.db2.gz VQXYBKNHHFXFEH-IBGZPJMESA-N 1 0 383.492 4.290 20 0 GIADRO CCc1ccc([C@@H](CNC(=O)Cc2nc(-c3cccs3)oc2C)[NH+](C)C)cc1 ZINC000032734639 821000388 /nfs/dbraw/zinc/00/03/88/821000388.db2.gz BUNAFYRWNAXRGR-LJQANCHMSA-N 1 0 397.544 4.236 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)[C@H](C)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000460816846 823520519 /nfs/dbraw/zinc/52/05/19/823520519.db2.gz XJVCCTDZPSRWHX-FOIQADDNSA-N 1 0 388.458 4.030 20 0 GIADRO COCC[C@@H](Cc1cccc(F)c1)[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000177751280 823520570 /nfs/dbraw/zinc/52/05/70/823520570.db2.gz ZLFLCOKLTPDVRW-JXFKEZNVSA-N 1 0 386.467 4.081 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)c1ccc(Br)s1 ZINC000177772463 823523815 /nfs/dbraw/zinc/52/38/15/823523815.db2.gz KSYLDZNFVACDEX-GFCCVEGCSA-N 1 0 377.311 4.001 20 0 GIADRO Cc1c(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cnn1-c1ccc(C)cc1 ZINC000032762768 821005242 /nfs/dbraw/zinc/00/52/42/821005242.db2.gz IOZVCERJKRXGRD-HXUWFJFHSA-N 1 0 394.544 4.118 20 0 GIADRO COc1cc(Br)ccc1[C@H](C)[NH2+]C[C@@H](O)c1ccc(F)c(F)c1 ZINC000190439706 823574126 /nfs/dbraw/zinc/57/41/26/823574126.db2.gz WTRPYGFFVZXQKS-MGPLVRAMSA-N 1 0 386.236 4.120 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1)c1ccc(-n2cccn2)cc1 ZINC000177754550 823521008 /nfs/dbraw/zinc/52/10/08/823521008.db2.gz GOIREBMAPCJBRK-IRXDYDNUSA-N 1 0 376.460 4.241 20 0 GIADRO Cc1onc(-c2ccc(F)cc2)c1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000032762993 821005363 /nfs/dbraw/zinc/00/53/63/821005363.db2.gz WKHZYEOFXTYYKT-KRWDZBQOSA-N 1 0 399.491 4.418 20 0 GIADRO Cc1ccc(Sc2ncccc2C(=O)N2CC[C@H]([NH+]3CCCC3)C2)c(C)c1 ZINC000060374148 823521057 /nfs/dbraw/zinc/52/10/57/823521057.db2.gz MNBQEPJXXVCKGR-SFHVURJKSA-N 1 0 381.545 4.160 20 0 GIADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cnc(Cc3ccc(F)cc3)s2)C1 ZINC000060373623 823521130 /nfs/dbraw/zinc/52/11/30/823521130.db2.gz OYWSCMQWECTQEA-OAHLLOKOSA-N 1 0 389.540 4.113 20 0 GIADRO Cc1ccc(-c2nc(C)c(C(=O)Nc3ccccc3N3CC[NH+](C)CC3)s2)o1 ZINC000032946095 821021078 /nfs/dbraw/zinc/02/10/78/821021078.db2.gz RKUSKDCYIGUWCT-UHFFFAOYSA-N 1 0 396.516 4.024 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)CCc2ccc(-c3ccccc3F)o2)c1 ZINC000033085057 821031913 /nfs/dbraw/zinc/03/19/13/821031913.db2.gz GJPFVVDSJYBKFE-UHFFFAOYSA-N 1 0 380.463 4.396 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)c2csc(-c3ccc(OCC)cc3)n2)CC1 ZINC000060403902 823524078 /nfs/dbraw/zinc/52/40/78/823524078.db2.gz FPZMAUPNXQVBHV-UHFFFAOYSA-N 1 0 387.549 4.155 20 0 GIADRO CCO[C@@H]1C[C@](CO)([NH2+]CC(=O)Nc2c(C(C)C)cccc2C(C)C)C1(C)C ZINC000189995049 823523171 /nfs/dbraw/zinc/52/31/71/823523171.db2.gz OMZSYNZRFUIQFX-AUSIDOKSSA-N 1 0 390.568 4.028 20 0 GIADRO CCOCCC[N@@H+]1CC[C@H](NCc2csc(Nc3ccccc3)n2)[C@H](C)C1 ZINC000189994102 823523305 /nfs/dbraw/zinc/52/33/05/823523305.db2.gz AQPMDNFKTAPXLA-XLIONFOSSA-N 1 0 388.581 4.113 20 0 GIADRO CC(C)c1cc(C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)c2cnn(C(C)C)c2n1 ZINC000060394956 823523316 /nfs/dbraw/zinc/52/33/16/823523316.db2.gz SWNJUNBPTZKOFA-UHFFFAOYSA-N 1 0 399.583 4.328 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)COc2ccccc2-c2ccccc2)CC1 ZINC000060395470 823523567 /nfs/dbraw/zinc/52/35/67/823523567.db2.gz IELFMONXWOFDEG-UHFFFAOYSA-N 1 0 380.532 4.311 20 0 GIADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H]2CCSc3ccccc32)cc1 ZINC000177816872 823529964 /nfs/dbraw/zinc/52/99/64/823529964.db2.gz CAQDNZGRVORTTB-LJQANCHMSA-N 1 0 390.574 4.044 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(Oc2cccnc2)c(C)c1 ZINC000177801530 823527688 /nfs/dbraw/zinc/52/76/88/823527688.db2.gz HFWNSROCLGNSBH-MOPGFXCFSA-N 1 0 380.492 4.273 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1oc2ccc(Br)cc2c1C ZINC000177801243 823527695 /nfs/dbraw/zinc/52/76/95/823527695.db2.gz PRDREYNUKSBYKT-CABCVRRESA-N 1 0 391.309 4.203 20 0 GIADRO O=C([C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000034339425 821062107 /nfs/dbraw/zinc/06/21/07/821062107.db2.gz VCVHDKNMYFEMKH-QHCPKHFHSA-N 1 0 380.507 4.271 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1ccccc1Br)c1ccc(Cl)cc1 ZINC000036090551 821068669 /nfs/dbraw/zinc/06/86/69/821068669.db2.gz VTJQBPUUVORSMI-MRXNPFEDSA-N 1 0 381.701 4.135 20 0 GIADRO COc1c(Br)cc(C[NH2+]CCc2ccco2)cc1Br ZINC000036325084 821071294 /nfs/dbraw/zinc/07/12/94/821071294.db2.gz SPEXZWHEJXBKSH-UHFFFAOYSA-N 1 0 389.087 4.146 20 0 GIADRO COc1cc(C[N@@H+]2CCC[C@@H]2c2ccccc2)ccc1OCC(=O)N1CCCC1 ZINC000123648268 823529119 /nfs/dbraw/zinc/52/91/19/823529119.db2.gz SNGJYGIIHTVTCY-OAQYLSRUSA-N 1 0 394.515 4.034 20 0 GIADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)CCOc2cccc(Cl)c2Cl)o1 ZINC000060407155 823524273 /nfs/dbraw/zinc/52/42/73/823524273.db2.gz PAUQJZCBPSDTJY-UHFFFAOYSA-N 1 0 399.318 4.254 20 0 GIADRO Cc1sc(-c2ccco2)nc1C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000036714329 821077862 /nfs/dbraw/zinc/07/78/62/821077862.db2.gz WYMJCYPBZICOFX-UHFFFAOYSA-N 1 0 381.501 4.060 20 0 GIADRO C[C@H]1C[C@H]([NH2+]Cc2ccc(Cn3cncn3)cc2)c2cccc(Br)c21 ZINC000177776026 823524510 /nfs/dbraw/zinc/52/45/10/823524510.db2.gz GKERCBOWAVYQKR-LIRRHRJNSA-N 1 0 397.320 4.427 20 0 GIADRO Cc1nc(C[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)oc1-c1ccc(Cl)cc1 ZINC000177777342 823524799 /nfs/dbraw/zinc/52/47/99/823524799.db2.gz LUWKSCQAUCKDNO-KRWDZBQOSA-N 1 0 387.911 4.042 20 0 GIADRO C/C=C/c1ccc(OCC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c(OC)c1 ZINC000036811862 821085512 /nfs/dbraw/zinc/08/55/12/821085512.db2.gz NCFZNPYGTIWGLX-DPAQFELZSA-N 1 0 398.503 4.044 20 0 GIADRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1cc(Br)ccc1F ZINC000036883745 821088957 /nfs/dbraw/zinc/08/89/57/821088957.db2.gz FWSJAAKQILCMPD-GOSISDBHSA-N 1 0 391.284 4.155 20 0 GIADRO COc1cc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)ccc1OC(C)C ZINC000036883658 821089251 /nfs/dbraw/zinc/08/92/51/821089251.db2.gz MGBKQNNJNTXCHB-HXUWFJFHSA-N 1 0 382.504 4.049 20 0 GIADRO CCOc1c(Br)cc(Cl)cc1NC(=O)CCCCCC[NH3+] ZINC000037020128 821089666 /nfs/dbraw/zinc/08/96/66/821089666.db2.gz TXNAYQIXYFOFLK-UHFFFAOYSA-N 1 0 377.710 4.349 20 0 GIADRO COc1cc(F)c([C@@H](C)[NH2+]C[C@H](O)c2ccccc2C(F)(F)F)cc1OC ZINC000177780022 823525436 /nfs/dbraw/zinc/52/54/36/823525436.db2.gz NHDMQOITRCXGNV-BZNIZROVSA-N 1 0 387.373 4.246 20 0 GIADRO COc1cccc(NC(=O)[C@@H]([NH2+]CCc2ccc(F)cc2)c2ccccc2)c1 ZINC000038431263 821095984 /nfs/dbraw/zinc/09/59/84/821095984.db2.gz YQLATCSQPIGPEE-QFIPXVFZSA-N 1 0 378.447 4.346 20 0 GIADRO CC[C@H](Cc1ccccc1)N(CC)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000177783185 823525872 /nfs/dbraw/zinc/52/58/72/823525872.db2.gz FSDGKXFLLRNWLP-HSZRJFAPSA-N 1 0 394.563 4.099 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000177785380 823526106 /nfs/dbraw/zinc/52/61/06/823526106.db2.gz MTYKECGTQMVKCJ-MSOLQXFVSA-N 1 0 387.911 4.013 20 0 GIADRO O=C(CN1CCC([NH2+][C@H]2CCSc3c(F)cccc32)CC1)Nc1ccccc1 ZINC000177821565 823531009 /nfs/dbraw/zinc/53/10/09/823531009.db2.gz TXETZEHCAVEKMB-FQEVSTJZSA-N 1 0 399.535 4.055 20 0 GIADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Nc1cccc2ccn(C)c21 ZINC000190059661 823532321 /nfs/dbraw/zinc/53/23/21/823532321.db2.gz CUMWIMNBKOPKRH-UHFFFAOYSA-N 1 0 384.446 4.306 20 0 GIADRO C[C@H](c1ccc(F)c(F)c1)[NH+]1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000060477902 823532575 /nfs/dbraw/zinc/53/25/75/823532575.db2.gz OKEJECVCRMUJCS-CQSZACIVSA-N 1 0 376.422 4.193 20 0 GIADRO O=C(Nc1ccc(F)cc1)c1ccc(C[NH2+]Cc2cccc3c2OCCO3)cc1 ZINC000177830317 823532723 /nfs/dbraw/zinc/53/27/23/823532723.db2.gz LQHYPXJKELBGFE-UHFFFAOYSA-N 1 0 392.430 4.139 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)[C@H](C)Cc1ccc(F)cc1)[NH+]1CCCCC1 ZINC000040654332 821163475 /nfs/dbraw/zinc/16/34/75/821163475.db2.gz NGRHZKSFSOLFIL-GCJKJVERSA-N 1 0 398.522 4.356 20 0 GIADRO C[C@H]([NH2+][C@H](CCO)C1CCOCC1)c1cc2cc(Br)ccc2o1 ZINC000461110931 823579530 /nfs/dbraw/zinc/57/95/30/823579530.db2.gz SNTKIFXSOXOXNX-BLLLJJGKSA-N 1 0 382.298 4.024 20 0 GIADRO COc1ccc([C@H](CNC(=O)c2cc3cccc(F)c3o2)[NH+]2CCCC2)cc1 ZINC000041332548 821184034 /nfs/dbraw/zinc/18/40/34/821184034.db2.gz NARNOFGBGRDEQT-IBGZPJMESA-N 1 0 382.435 4.147 20 0 GIADRO O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1ccc(-n2ccnc2)cc1 ZINC000041399870 821187936 /nfs/dbraw/zinc/18/79/36/821187936.db2.gz SOVRNPVQCNMKCE-NRFANRHFSA-N 1 0 394.906 4.093 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccccc2NCCc2ccc(Cl)cc2)C1 ZINC000123744039 823536550 /nfs/dbraw/zinc/53/65/50/823536550.db2.gz NFRCEXIQMBFXFS-LJQANCHMSA-N 1 0 399.966 4.408 20 0 GIADRO COc1cc([C@@H](C)[NH2+]C2CCN(C(=O)c3ccccc3)CC2)ccc1SC ZINC000177857025 823537140 /nfs/dbraw/zinc/53/71/40/823537140.db2.gz AWPCNTIBMICODS-MRXNPFEDSA-N 1 0 384.545 4.373 20 0 GIADRO 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 823537271 /nfs/dbraw/zinc/53/72/71/823537271.db2.gz MLNQCXLBCBBQFD-YSHGAJCASA-N 1 0 397.485 4.269 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ncc(Cc3cccc(F)c3)s2)[C@H](C)C1 ZINC000177858560 823537358 /nfs/dbraw/zinc/53/73/58/823537358.db2.gz HXBLTKAEKGCEQM-KDOFPFPSSA-N 1 0 390.528 4.067 20 0 GIADRO COc1cc([C@H](C)[NH2+]Cc2ccc(Cl)s2)ccc1S(=O)(=O)C(F)F ZINC000177861725 823537765 /nfs/dbraw/zinc/53/77/65/823537765.db2.gz BPOWFFJHRVEVFU-VIFPVBQESA-N 1 0 395.880 4.257 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)c2nc3ccccc3s2)CC[N@@H+]1Cc1ccccc1 ZINC000123790751 823541087 /nfs/dbraw/zinc/54/10/87/823541087.db2.gz IKRIOHZTGPUAIY-FUHWJXTLSA-N 1 0 379.529 4.421 20 0 GIADRO CCNC(=O)COc1ccc(C[NH2+][C@@H](CC)c2cccc(Cl)c2)cc1OC ZINC000060524157 823538297 /nfs/dbraw/zinc/53/82/97/823538297.db2.gz UAJZVCMOGLUGNW-SFHVURJKSA-N 1 0 390.911 4.104 20 0 GIADRO Cc1ccc(C(=O)NCC(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)s1 ZINC000041868022 821240128 /nfs/dbraw/zinc/24/01/28/821240128.db2.gz QOMNJBNYRSBTMK-UHFFFAOYSA-N 1 0 399.560 4.190 20 0 GIADRO COc1cc([C@@H](C)[NH2+]C2CCN(CC(F)(F)F)CC2)ccc1OCC(C)C ZINC000177868555 823538792 /nfs/dbraw/zinc/53/87/92/823538792.db2.gz KSPZPCGTRIFRLJ-OAHLLOKOSA-N 1 0 388.474 4.407 20 0 GIADRO COc1ccc([C@@H]([NH2+]CCc2ccccc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000123766896 823538806 /nfs/dbraw/zinc/53/88/06/823538806.db2.gz GTJAMYQZZINGCI-HSZRJFAPSA-N 1 0 395.524 4.020 20 0 GIADRO CC[NH+](CC)[C@H](C)CNC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000041925188 821245765 /nfs/dbraw/zinc/24/57/65/821245765.db2.gz KCBURNCYGCMAKC-CYBMUJFWSA-N 1 0 399.482 4.218 20 0 GIADRO CC(C)[N@H+](C)CCCNC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 ZINC000041928836 821245973 /nfs/dbraw/zinc/24/59/73/821245973.db2.gz MOZBASXWAKKFGT-UHFFFAOYSA-N 1 0 398.334 4.428 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CCNC(=O)c1ccc(C)c(F)c1 ZINC000177870505 823539120 /nfs/dbraw/zinc/53/91/20/823539120.db2.gz LRXVYIZOJZPMHJ-CQSZACIVSA-N 1 0 398.507 4.042 20 0 GIADRO CC[C@H](OC1CCCC1)C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000411070365 823541214 /nfs/dbraw/zinc/54/12/14/823541214.db2.gz HHQAQWPACJUYHN-IBGZPJMESA-N 1 0 394.943 4.489 20 0 GIADRO C[N@@H+]1CC[C@H](CNC(=O)Cc2cccc(Cl)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123778359 823540039 /nfs/dbraw/zinc/54/00/39/823540039.db2.gz KODQVWMEZDOOGX-QRWLVFNGSA-N 1 0 395.305 4.484 20 0 GIADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1ccc(SC2CCCC2)cc1 ZINC000190120372 823540051 /nfs/dbraw/zinc/54/00/51/823540051.db2.gz BHWRDFXTIHFKFM-INIZCTEOSA-N 1 0 391.581 4.030 20 0 GIADRO Cc1nc(Cl)sc1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000177877966 823540252 /nfs/dbraw/zinc/54/02/52/823540252.db2.gz ANCPREZAEIHIJW-CJNGLKHVSA-N 1 0 377.941 4.230 20 0 GIADRO Cc1ccc(CNC(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cc1 ZINC000123782228 823540277 /nfs/dbraw/zinc/54/02/77/823540277.db2.gz SDPYIEMPAHWUFO-MJGOQNOKSA-N 1 0 377.488 4.021 20 0 GIADRO C[C@H](Cc1ccc(Br)cc1)[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000177885897 823541357 /nfs/dbraw/zinc/54/13/57/823541357.db2.gz QPWAILYSZYPFAC-MRXNPFEDSA-N 1 0 388.353 4.029 20 0 GIADRO COc1ccc([C@@H](O)C[NH2+]Cc2c(C)nn(Cc3ccccc3Cl)c2C)cc1 ZINC000042202515 821283357 /nfs/dbraw/zinc/28/33/57/821283357.db2.gz OOILIOSTTDDYCJ-QFIPXVFZSA-N 1 0 399.922 4.033 20 0 GIADRO CCn1c(CNC(=O)NC[C@@H](c2ccsc2)[NH+](CC)CC)nc2ccccc21 ZINC000042346027 821302345 /nfs/dbraw/zinc/30/23/45/821302345.db2.gz FNJABHKCXWOQSE-IBGZPJMESA-N 1 0 399.564 4.000 20 0 GIADRO CC(C)C[C@H](CNC(=O)COc1ccc(C2SCCCS2)cc1)[NH+](C)C ZINC000042585404 821312836 /nfs/dbraw/zinc/31/28/36/821312836.db2.gz VDJHHYZLZXLQOJ-QGZVFWFLSA-N 1 0 396.622 4.027 20 0 GIADRO CC(C)OC(=O)C[C@H](NC(=O)c1cccc(C[NH+]2CCCC2)c1)c1ccccc1 ZINC000060552590 823541548 /nfs/dbraw/zinc/54/15/48/823541548.db2.gz IFBRGHJPNSPAIH-QFIPXVFZSA-N 1 0 394.515 4.095 20 0 GIADRO COc1ccc([C@H](CNC(=O)N(C)[C@@H]2CCc3ccccc32)[NH+]2CCCC2)cc1 ZINC000042626352 821315985 /nfs/dbraw/zinc/31/59/85/821315985.db2.gz IOSNOKWGZQWLQG-PKTZIBPZSA-N 1 0 393.531 4.161 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C1(c2cccc(Cl)c2)CCC1 ZINC000042685029 821324390 /nfs/dbraw/zinc/32/43/90/821324390.db2.gz DUMDARSLBJFJTP-UHFFFAOYSA-N 1 0 397.950 4.461 20 0 GIADRO O=C(C[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1)N1CCCCCC1 ZINC000042742691 821329664 /nfs/dbraw/zinc/32/96/64/821329664.db2.gz OMTUCBKLPHVEMT-UHFFFAOYSA-N 1 0 375.900 4.063 20 0 GIADRO C[C@H](C(=O)NCc1ccccc1)[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000042742576 821330116 /nfs/dbraw/zinc/33/01/16/821330116.db2.gz RAPVCHZDXASTLD-OAHLLOKOSA-N 1 0 397.906 4.366 20 0 GIADRO CC(C)Oc1ccc([C@@H](C)NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000042929543 821346002 /nfs/dbraw/zinc/34/60/02/821346002.db2.gz BHLJYSIOSXBQLW-LJQANCHMSA-N 1 0 395.547 4.499 20 0 GIADRO Cc1cccc(NC(=O)NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c1C ZINC000043136586 821366344 /nfs/dbraw/zinc/36/63/44/821366344.db2.gz WEXNCNZFAGVPOR-QZTJIDSGSA-N 1 0 381.520 4.234 20 0 GIADRO CCOc1cc(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)ccc1OC ZINC000043136054 821366603 /nfs/dbraw/zinc/36/66/03/821366603.db2.gz XVJIFJSPUPEDNO-QGZVFWFLSA-N 1 0 387.480 4.036 20 0 GIADRO CCOc1ccc(NC(=O)NC[C@@H](c2cccc(OC)c2)[NH+]2CCCC2)cc1 ZINC000043145957 821368071 /nfs/dbraw/zinc/36/80/71/821368071.db2.gz BWBZBOCHGVGHSB-NRFANRHFSA-N 1 0 383.492 4.053 20 0 GIADRO CCc1cccc(C)c1NC(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000043156296 821369612 /nfs/dbraw/zinc/36/96/12/821369612.db2.gz VEXJLLHVKIMRAK-KDURUIRLSA-N 1 0 395.547 4.488 20 0 GIADRO COc1cccc([C@H](CNC(=O)Nc2cccc(SC)c2)[NH+]2CCCC2)c1 ZINC000043157401 821370147 /nfs/dbraw/zinc/37/01/47/821370147.db2.gz ZHBZPJIGJOGYOG-FQEVSTJZSA-N 1 0 385.533 4.376 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@@H]2CCSc3ccccc32)CC1 ZINC000043166499 821371445 /nfs/dbraw/zinc/37/14/45/821371445.db2.gz SWLBIDSIGUWBKI-OAQYLSRUSA-N 1 0 395.572 4.496 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N(Cc1ccco1)Cc1ccco1 ZINC000043167459 821372153 /nfs/dbraw/zinc/37/21/53/821372153.db2.gz MFEANPXOQXEAGE-IBGZPJMESA-N 1 0 383.448 4.015 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N(Cc1ccco1)Cc1ccco1 ZINC000043167460 821372206 /nfs/dbraw/zinc/37/22/06/821372206.db2.gz MFEANPXOQXEAGE-LJQANCHMSA-N 1 0 383.448 4.015 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CCCCC[C@H]1c1ccncc1 ZINC000043167298 821372278 /nfs/dbraw/zinc/37/22/78/821372278.db2.gz YIKVGRRCXYWQAM-VQTJNVASSA-N 1 0 382.508 4.138 20 0 GIADRO CCc1cc2c(C[NH2+][C@@H](CC)c3ccc4c(c3)OCCO4)cc(=O)oc2cc1O ZINC000180633758 821376563 /nfs/dbraw/zinc/37/65/63/821376563.db2.gz ANJRGVJBFCDKON-SFHVURJKSA-N 1 0 395.455 4.073 20 0 GIADRO COc1ccc(F)cc1[C@H](C)NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000043231434 821378022 /nfs/dbraw/zinc/37/80/22/821378022.db2.gz BZUFYZVKCMCKQW-WMLDXEAASA-N 1 0 391.512 4.093 20 0 GIADRO CC(=O)c1cccc(NC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000043239226 821380102 /nfs/dbraw/zinc/38/01/02/821380102.db2.gz CUWBAXYQIAVKPT-UHFFFAOYSA-N 1 0 385.895 4.329 20 0 GIADRO Cn1cc(C[N@H+](C)Cc2cccc(OC(F)(F)F)c2)c(-c2ccncc2)n1 ZINC000180646559 821381216 /nfs/dbraw/zinc/38/12/16/821381216.db2.gz UEEJHXLDISILOH-UHFFFAOYSA-N 1 0 376.382 4.013 20 0 GIADRO COc1cccc([C@H](O)C[N@H+](Cc2ccccc2)Cc2cccc3nccn32)c1 ZINC000180649177 821382244 /nfs/dbraw/zinc/38/22/44/821382244.db2.gz AKEZENLQJSGIMV-HSZRJFAPSA-N 1 0 387.483 4.079 20 0 GIADRO COc1ccc([C@H](CNC(=O)Nc2c(F)cccc2F)[NH+]2CCCCC2)cc1 ZINC000043265871 821383064 /nfs/dbraw/zinc/38/30/64/821383064.db2.gz NWLQDSDGAAXHGP-IBGZPJMESA-N 1 0 389.446 4.322 20 0 GIADRO Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000180651323 821383287 /nfs/dbraw/zinc/38/32/87/821383287.db2.gz OSSRYAXLEOBERU-GFCCVEGCSA-N 1 0 394.302 4.171 20 0 GIADRO Cc1ccc(-c2ccc(C[N@H+]3CCC[C@@H]([C@H](O)c4nccn4C)C3)s2)cc1 ZINC000180654003 821384346 /nfs/dbraw/zinc/38/43/46/821384346.db2.gz GYIWSFSNDUGAEV-NQIIRXRSSA-N 1 0 381.545 4.403 20 0 GIADRO Cn1ccnc1[C@H](O)[C@H]1CCC[N@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC000180655997 821384826 /nfs/dbraw/zinc/38/48/26/821384826.db2.gz RQIMCTUJBIYDIE-OXJNMPFZSA-N 1 0 385.895 4.279 20 0 GIADRO COC(=O)CC[C@H]([NH2+][C@@H](C)c1cnn(Cc2ccccc2)c1)c1ccccc1 ZINC000180666406 821387693 /nfs/dbraw/zinc/38/76/93/821387693.db2.gz QBOXDUOELVYEDN-AVRDEDQJSA-N 1 0 377.488 4.277 20 0 GIADRO Cc1nc(Br)ccc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000180674402 821391025 /nfs/dbraw/zinc/39/10/25/821391025.db2.gz QNTHBBGVIRGEHG-MRXNPFEDSA-N 1 0 388.309 4.003 20 0 GIADRO Cc1ccc(NC(=O)NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c(F)c1 ZINC000043324588 821392390 /nfs/dbraw/zinc/39/23/90/821392390.db2.gz NBAZRCCANKSGLE-CALCHBBNSA-N 1 0 385.483 4.065 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1)c1ccc(N2CCCC2=O)cc1 ZINC000180689194 821396192 /nfs/dbraw/zinc/39/61/92/821396192.db2.gz HZIMAAGMCXBNLH-LIRRHRJNSA-N 1 0 392.421 4.216 20 0 GIADRO Cc1ccc(F)c(NC(=O)NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c1 ZINC000043350733 821396693 /nfs/dbraw/zinc/39/66/93/821396693.db2.gz MNFRVLHRQDVVSH-IAGOWNOFSA-N 1 0 385.483 4.065 20 0 GIADRO Cc1cccc(N2CC[NH+](CCCCNC(=O)Nc3cc(C)ccc3F)CC2)c1 ZINC000043350481 821396826 /nfs/dbraw/zinc/39/68/26/821396826.db2.gz VIGGDSKQLORALL-UHFFFAOYSA-N 1 0 398.526 4.166 20 0 GIADRO COCCOc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)cc1 ZINC000180690452 821396950 /nfs/dbraw/zinc/39/69/50/821396950.db2.gz DXQTUAKBIAMSOG-AUUYWEPGSA-N 1 0 383.410 4.115 20 0 GIADRO C[C@@H](NC[C@H](O)c1cccc(C(F)(F)F)c1)c1ncc(Br)s1 ZINC000180691482 821397285 /nfs/dbraw/zinc/39/72/85/821397285.db2.gz SPQAQSXAUBBYAH-KCJUWKMLSA-N 1 0 395.244 4.309 20 0 GIADRO CC1CC[NH+]([C@@H](CNC(=O)Nc2nnc(C3CC3)s2)c2cccs2)CC1 ZINC000043360211 821397513 /nfs/dbraw/zinc/39/75/13/821397513.db2.gz XCFXWZKAJAJLIV-AWEZNQCLSA-N 1 0 391.566 4.072 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000043362432 821398045 /nfs/dbraw/zinc/39/80/45/821398045.db2.gz JOEGYAJNWQBRSI-AWEZNQCLSA-N 1 0 399.825 4.493 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)NCCNc1ccccn1)C1CCCCC1 ZINC000043391261 821401197 /nfs/dbraw/zinc/40/11/97/821401197.db2.gz UYYTXBBKQTXVCR-UHFFFAOYSA-N 1 0 381.524 4.080 20 0 GIADRO CCc1ccccc1NC(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000043402426 821401718 /nfs/dbraw/zinc/40/17/18/821401718.db2.gz DUBFQYHHZSHNSQ-ROUUACIJSA-N 1 0 381.520 4.180 20 0 GIADRO COc1cc(C)c(NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1OC ZINC000043404844 821403011 /nfs/dbraw/zinc/40/30/11/821403011.db2.gz MKWHNTCULQVRFN-UHFFFAOYSA-N 1 0 397.519 4.320 20 0 GIADRO CCCCCc1nnc(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000043406704 821403618 /nfs/dbraw/zinc/40/36/18/821403618.db2.gz WRQZXMXKMYRTOU-UHFFFAOYSA-N 1 0 387.553 4.057 20 0 GIADRO Cc1cc(Br)ccc1NC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000043448842 821407446 /nfs/dbraw/zinc/40/74/46/821407446.db2.gz XIVRPQWDLLFMSU-UHFFFAOYSA-N 1 0 376.298 4.141 20 0 GIADRO 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 821414887 /nfs/dbraw/zinc/41/48/87/821414887.db2.gz PIOFPFAYVXPLST-JEBQAFNWSA-N 1 0 383.458 4.138 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N(C)[C@@H](C)c1ccc(F)cc1 ZINC000043490129 821415932 /nfs/dbraw/zinc/41/59/32/821415932.db2.gz WZOYPCMPPPDBAC-KRWDZBQOSA-N 1 0 384.499 4.111 20 0 GIADRO Cc1cc([C@H](C)NC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)c(C)s1 ZINC000043490329 821416079 /nfs/dbraw/zinc/41/60/79/821416079.db2.gz VVEHYKAYQROSKF-INIZCTEOSA-N 1 0 386.565 4.308 20 0 GIADRO C[C@@H]([NH2+]CCCNC(=O)c1ccc(F)cc1)c1cccc(-c2ccncc2)c1 ZINC000180722432 821417791 /nfs/dbraw/zinc/41/77/91/821417791.db2.gz KBUGJSPQXDIHMU-QGZVFWFLSA-N 1 0 377.463 4.358 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)N(C)[C@@H]3CCc4ccccc43)c(C)c2)CC1 ZINC000043522397 821421752 /nfs/dbraw/zinc/42/17/52/821421752.db2.gz BAQVXVARPLIEOZ-HSZRJFAPSA-N 1 0 392.547 4.288 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)NCC(C)(C)c3ccccc3)c(C)c2)CC1 ZINC000043522240 821421907 /nfs/dbraw/zinc/42/19/07/821421907.db2.gz VAJSFXQJROCBMV-UHFFFAOYSA-N 1 0 394.563 4.236 20 0 GIADRO C[C@@H]([NH2+]CC1(N2CCCCC2)CCOCC1)[C@@H](C)c1nc2ccccc2s1 ZINC000180738438 821426448 /nfs/dbraw/zinc/42/64/48/821426448.db2.gz LCXITEOTPCVEMB-QZTJIDSGSA-N 1 0 387.593 4.413 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)N[C@@H](C)c2ccccc2Cl)CC1 ZINC000043601911 821430403 /nfs/dbraw/zinc/43/04/03/821430403.db2.gz ULJDEJHQDSUCIZ-INIZCTEOSA-N 1 0 386.927 4.365 20 0 GIADRO CCc1ccc([C@H]([NH2+]C[C@H]2CCCS2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000180753385 821435482 /nfs/dbraw/zinc/43/54/82/821435482.db2.gz AIKJZSANBGOFBO-CTNGQTDRSA-N 1 0 389.586 4.227 20 0 GIADRO CC(C)C(=O)Nc1ccc(NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000043674307 821439450 /nfs/dbraw/zinc/43/94/50/821439450.db2.gz JVUYZTVHBMSIRT-UHFFFAOYSA-N 1 0 394.519 4.199 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1ccccc1OCc1ccccc1 ZINC000180764447 821442126 /nfs/dbraw/zinc/44/21/26/821442126.db2.gz IZLVTXSUOMQBGP-CRAIPNDOSA-N 1 0 392.421 4.079 20 0 GIADRO CCN(CC)C(=O)CCC1CC[NH+](Cc2c[nH]nc2-c2cccc(C)c2)CC1 ZINC000180768977 821444597 /nfs/dbraw/zinc/44/45/97/821444597.db2.gz ZJFPYJXDFXAJET-UHFFFAOYSA-N 1 0 382.552 4.246 20 0 GIADRO Cc1cc([C@@H]([NH2+]C[C@]2(CCO)CCOC2)c2ccccc2Cl)ccc1F ZINC000180775879 821449748 /nfs/dbraw/zinc/44/97/48/821449748.db2.gz JURUWPMCYLQPAY-RTWAWAEBSA-N 1 0 377.887 4.256 20 0 GIADRO COc1ccc([C@H]([NH2+]C[C@@]2(CCO)CCOC2)c2ccc(Cl)cc2)cc1C ZINC000180776710 821450383 /nfs/dbraw/zinc/45/03/83/821450383.db2.gz JEKBPADGSJWCPK-FGZHOGPDSA-N 1 0 389.923 4.125 20 0 GIADRO CCC(=O)N1CC[C@H]([NH2+][C@@H](c2ccc(Cl)cc2)c2ccc(OC)c(C)c2)C1 ZINC000180780287 821453208 /nfs/dbraw/zinc/45/32/08/821453208.db2.gz RDPZIZPPDSMTJQ-UGKGYDQZSA-N 1 0 386.923 4.347 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1cc(C2CCCCC2)n[nH]1 ZINC000180779986 821453245 /nfs/dbraw/zinc/45/32/45/821453245.db2.gz CHLJJWMYDIGJGZ-UHFFFAOYSA-N 1 0 395.551 4.231 20 0 GIADRO O=C(c1ccc2[nH]c3c(c2c1)CCCC3)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000043809784 821462293 /nfs/dbraw/zinc/46/22/93/821462293.db2.gz VGGDMOPFADCDSX-UHFFFAOYSA-N 1 0 387.527 4.395 20 0 GIADRO CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@H](c2cccc(C)c2)C(C)(C)C)cc1 ZINC000180801073 821465864 /nfs/dbraw/zinc/46/58/64/821465864.db2.gz YNFIOSGIXTUQCO-IFMALSPDSA-N 1 0 384.520 4.070 20 0 GIADRO Cc1cnc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C2CC2)s1 ZINC000180803435 821467505 /nfs/dbraw/zinc/46/75/05/821467505.db2.gz MYKPSLOYFZNNSI-HMQMGEFJSA-N 1 0 377.554 4.423 20 0 GIADRO COc1ccccc1NC(=O)C[C@H](C)[NH2+]CCCOc1cccc2cccnc21 ZINC000180804394 821467547 /nfs/dbraw/zinc/46/75/47/821467547.db2.gz LVJQJCDXGULCDK-KRWDZBQOSA-N 1 0 393.487 4.019 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]CCS(=O)(=O)C(C)(C)C ZINC000180805762 821468902 /nfs/dbraw/zinc/46/89/02/821468902.db2.gz HFXWJGFDSUVWOR-LBPRGKRZSA-N 1 0 384.542 4.122 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000043841200 821469568 /nfs/dbraw/zinc/46/95/68/821469568.db2.gz RMXMMRZNOFXRKA-UHFFFAOYSA-N 1 0 395.547 4.194 20 0 GIADRO Cc1ccc(NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)c(C[NH+](C)C)c1 ZINC000180813127 821474404 /nfs/dbraw/zinc/47/44/04/821474404.db2.gz LNRPDSUZDBIKLP-UHFFFAOYSA-N 1 0 387.332 4.305 20 0 GIADRO Cc1cc(C[NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)ccc1Cl ZINC000180820755 821480117 /nfs/dbraw/zinc/48/01/17/821480117.db2.gz HOUIWBVSXGQGKK-CALCHBBNSA-N 1 0 386.923 4.188 20 0 GIADRO CCCOc1c(Cl)cc(C[NH+]2CCC(Cn3ccnn3)CC2)cc1OCC ZINC000180821021 821480174 /nfs/dbraw/zinc/48/01/74/821480174.db2.gz TUDKCBUXYXQJSZ-UHFFFAOYSA-N 1 0 392.931 4.031 20 0 GIADRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21 ZINC000180821951 821480790 /nfs/dbraw/zinc/48/07/90/821480790.db2.gz YWLBWJMQXOOVDN-DOMZBBRYSA-N 1 0 398.981 4.254 20 0 GIADRO CSCCc1ccc(NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000180838283 821488803 /nfs/dbraw/zinc/48/88/03/821488803.db2.gz AZNYHXDTELXUGW-UHFFFAOYSA-N 1 0 384.549 4.025 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)Nc1ccc(OCC(F)(F)F)cc1 ZINC000043924125 821489772 /nfs/dbraw/zinc/48/97/72/821489772.db2.gz IMVGRDNVZQLGLK-MRXNPFEDSA-N 1 0 397.397 4.179 20 0 GIADRO Cc1noc(CC[NH2+][C@H](c2cccc(F)c2)c2cccc(Br)c2)n1 ZINC000180843393 821490744 /nfs/dbraw/zinc/49/07/44/821490744.db2.gz PPVLMVDETCPYRW-SFHVURJKSA-N 1 0 390.256 4.201 20 0 GIADRO O=C(C[NH+]1CCCCCC1)Nc1ccc(NCc2cccc(Cl)c2O)cc1 ZINC000180845457 821491389 /nfs/dbraw/zinc/49/13/89/821491389.db2.gz LTNVXEGMLAEYAE-UHFFFAOYSA-N 1 0 387.911 4.472 20 0 GIADRO Cc1cc(C)c(NC(=O)C[NH2+][C@@H](C)c2ccc(-n3cccn3)cc2)c(Cl)c1 ZINC000180853739 821496144 /nfs/dbraw/zinc/49/61/44/821496144.db2.gz XXMFIHJKOHFJNO-INIZCTEOSA-N 1 0 382.895 4.432 20 0 GIADRO C[C@H](c1cccc(Br)c1)[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000180855680 821497356 /nfs/dbraw/zinc/49/73/56/821497356.db2.gz GUZFJLUXQCWWEY-HIFRSBDPSA-N 1 0 375.314 4.316 20 0 GIADRO COc1cc(F)c(NCc2ccccc2N(C)C2CC[NH+](C)CC2)cc1F ZINC000180863287 821501283 /nfs/dbraw/zinc/50/12/83/821501283.db2.gz JZMOKMQESDETAC-UHFFFAOYSA-N 1 0 375.463 4.116 20 0 GIADRO Cc1cccc(-c2nn(Cc3ccccc3)cc2C[N@H+]2CC[C@@H]([C@@H](C)O)C2)c1 ZINC000180868442 821503779 /nfs/dbraw/zinc/50/37/79/821503779.db2.gz HHJRBTPRNACEKL-DENIHFKCSA-N 1 0 375.516 4.110 20 0 GIADRO C[C@H](O)[C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)c(Br)c2)C1 ZINC000180868152 821503828 /nfs/dbraw/zinc/50/38/28/821503828.db2.gz LIIDZJZTJCDRLX-YJBOKZPZSA-N 1 0 390.321 4.231 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[NH2+]C(C)(C)c1ccc(F)c(F)c1 ZINC000180868771 821504475 /nfs/dbraw/zinc/50/44/75/821504475.db2.gz OKFOQGGHCILVMV-UHFFFAOYSA-N 1 0 398.457 4.231 20 0 GIADRO CC(C)CC(=O)Nc1ccc(NC(=O)NCCC[N@H+](C)Cc2ccccc2)cc1 ZINC000044031474 821507824 /nfs/dbraw/zinc/50/78/24/821507824.db2.gz HYITUPMUSZCTQB-UHFFFAOYSA-N 1 0 396.535 4.315 20 0 GIADRO O=C(NC1CC[NH+](C2CCCC2)CC1)N[C@@H]1CCCOc2cc(Cl)ccc21 ZINC000180877455 821508794 /nfs/dbraw/zinc/50/87/94/821508794.db2.gz HPDILZBRQQEPNH-LJQANCHMSA-N 1 0 391.943 4.260 20 0 GIADRO COc1ccc([C@@H](CNC(=S)Nc2ccccc2C#N)[NH+]2CCCCC2)cc1 ZINC000044054943 821513376 /nfs/dbraw/zinc/51/33/76/821513376.db2.gz DUUZLRSWBHBZPU-OAQYLSRUSA-N 1 0 394.544 4.080 20 0 GIADRO C[NH+]1CCN(c2ccccc2NC(=S)Nc2ccc3ccccc3c2)CC1 ZINC000044056638 821513687 /nfs/dbraw/zinc/51/36/87/821513687.db2.gz ORSRHQPRKVMJMX-UHFFFAOYSA-N 1 0 376.529 4.401 20 0 GIADRO COc1cccc([C@@H](CNC(=S)N[C@H](C)c2ccccc2)[NH+]2CCCC2)c1 ZINC000044056223 821513760 /nfs/dbraw/zinc/51/37/60/821513760.db2.gz GIYUYWYIMUDHKH-DYESRHJHSA-N 1 0 383.561 4.057 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Nc1cc(NC(C)=O)ccc1F)c1ccsc1 ZINC000044077063 821516734 /nfs/dbraw/zinc/51/67/34/821516734.db2.gz MBJVMWVEBOUALX-GOSISDBHSA-N 1 0 392.500 4.050 20 0 GIADRO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCCO[C@@H]1CCCc2ccccc21 ZINC000180889515 821516992 /nfs/dbraw/zinc/51/69/92/821516992.db2.gz KCIRNUSOBLBBEM-DCEDVJGZSA-N 1 0 393.575 4.366 20 0 GIADRO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@H](C)Oc1ccccc1 ZINC000180890968 821518092 /nfs/dbraw/zinc/51/80/92/821518092.db2.gz SLXKDOWGLGNJKY-GJZGRUSLSA-N 1 0 380.410 4.480 20 0 GIADRO CC1CC[NH+](CCCCNC(=S)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000044100200 821522795 /nfs/dbraw/zinc/52/27/95/821522795.db2.gz WLWQWGBKJKXEIA-UHFFFAOYSA-N 1 0 389.487 4.384 20 0 GIADRO C[C@@H]1CCC[N@H+](CCCCNC(=S)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000044099068 821522991 /nfs/dbraw/zinc/52/29/91/821522991.db2.gz QUOLLWUWCRVVMC-CQSZACIVSA-N 1 0 389.487 4.384 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)Nc1ccc(CC(F)(F)F)cc1 ZINC000180898861 821523087 /nfs/dbraw/zinc/52/30/87/821523087.db2.gz ZXMYTCLNOJHRGX-UHFFFAOYSA-N 1 0 392.425 4.225 20 0 GIADRO COc1cc([C@@H](C)[NH2+]CCc2nc(-c3cccc(Cl)c3)no2)ccc1F ZINC000180901591 821525369 /nfs/dbraw/zinc/52/53/69/821525369.db2.gz QMQFZPMMWVWWCU-GFCCVEGCSA-N 1 0 375.831 4.431 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CCc2nc(-c3cccc(Cl)c3)no2)cc1F ZINC000180903237 821527253 /nfs/dbraw/zinc/52/72/53/821527253.db2.gz SFKYEKXWWWIAJQ-GFCCVEGCSA-N 1 0 375.831 4.431 20 0 GIADRO CC(C)Cc1nnc(NC(=O)C[NH2+][C@@H](C)c2ccc(-c3ccncc3)cc2)s1 ZINC000180903710 821527276 /nfs/dbraw/zinc/52/72/76/821527276.db2.gz ITFVKDAQWJWHOE-HNNXBMFYSA-N 1 0 395.532 4.088 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1)C(=O)NCCc1ccc(F)cc1 ZINC000180917282 821536693 /nfs/dbraw/zinc/53/66/93/821536693.db2.gz LJLLODLRZDZXNM-ROUUACIJSA-N 1 0 391.490 4.286 20 0 GIADRO CC[C@@H]([NH2+]C1CCN(c2nccs2)CC1)[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000180937958 821547207 /nfs/dbraw/zinc/54/72/07/821547207.db2.gz HBYOFWQVUPPISR-IAGOWNOFSA-N 1 0 399.482 4.233 20 0 GIADRO FC(F)(F)c1cccc(-c2ccc(C[NH2+]CCCOC[C@H]3CCOC3)o2)c1 ZINC000180946080 821551173 /nfs/dbraw/zinc/55/11/73/821551173.db2.gz ZSGFAIBVAXQNDO-OAHLLOKOSA-N 1 0 383.410 4.498 20 0 GIADRO CC(=O)c1cccc(NC(=O)C[NH2+][C@@H](C)c2ccc(OCC(F)(F)F)cc2)c1 ZINC000180957315 821556199 /nfs/dbraw/zinc/55/61/99/821556199.db2.gz LIFJDPWLHKVACX-ZDUSSCGKSA-N 1 0 394.393 4.120 20 0 GIADRO COCCC(=O)N1CCC([NH2+][C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000180961249 821557652 /nfs/dbraw/zinc/55/76/52/821557652.db2.gz KXUQPSYKCCOPAW-JOCHJYFZSA-N 1 0 386.923 4.047 20 0 GIADRO COCCC(=O)N1CCC([NH2+][C@H](c2ccccc2)c2cc(C)ccc2C)CC1 ZINC000180960804 821557821 /nfs/dbraw/zinc/55/78/21/821557821.db2.gz VEYXFVDWCHSSNI-XMMPIXPASA-N 1 0 380.532 4.010 20 0 GIADRO CS(=O)(=O)c1cccc([C@H]([NH2+][C@H]2CCOC3(CCCC3)C2)c2ccccc2)c1 ZINC000180962476 821558344 /nfs/dbraw/zinc/55/83/44/821558344.db2.gz QXPMREFUCKAGII-RBBKRZOGSA-N 1 0 399.556 4.261 20 0 GIADRO CN(Cc1ccccc1OC(F)(F)F)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000044277168 821558436 /nfs/dbraw/zinc/55/84/36/821558436.db2.gz BHHDGEVDTBVGCA-UHFFFAOYSA-N 1 0 381.398 4.311 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)c1cc(F)ccc1F)c1ccc(OCC(F)(F)F)cc1 ZINC000180970046 821563133 /nfs/dbraw/zinc/56/31/33/821563133.db2.gz ZVRLSEIFAJBFLX-GTNSWQLSSA-N 1 0 375.337 4.290 20 0 GIADRO CC(=O)c1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(OCC(F)(F)F)cc2)cc1 ZINC000180971705 821564963 /nfs/dbraw/zinc/56/49/63/821564963.db2.gz NVYXERKTWLPPDL-CYBMUJFWSA-N 1 0 394.393 4.120 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Nc1cccc(OCC(F)(F)F)c1)c1cccs1 ZINC000044310439 821567048 /nfs/dbraw/zinc/56/70/48/821567048.db2.gz AMVZXVQVNKTHGU-AWEZNQCLSA-N 1 0 387.427 4.114 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCC[C@@H](C(F)(F)F)C3)c(C)c2)CC1 ZINC000044313543 821568582 /nfs/dbraw/zinc/56/85/82/821568582.db2.gz DKXYLYDDDGWWOJ-DLBZAZTESA-N 1 0 397.485 4.444 20 0 GIADRO COc1ccc([C@@H]([NH2+]CC2(CO)CCOCC2)c2ccc(Cl)cc2)cc1C ZINC000180985190 821575333 /nfs/dbraw/zinc/57/53/33/821575333.db2.gz NXMAJBWHXLKPRX-NRFANRHFSA-N 1 0 389.923 4.125 20 0 GIADRO CCn1c2ccccc2nc1[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000180990342 821578257 /nfs/dbraw/zinc/57/82/57/821578257.db2.gz YYUYMENFCUQQAB-HZPDHXFCSA-N 1 0 378.476 4.425 20 0 GIADRO CCn1c2ccccc2nc1[C@H](C)[NH2+][C@@H](C)CC(=O)Nc1ccc(OC)cc1 ZINC000180993943 821581155 /nfs/dbraw/zinc/58/11/55/821581155.db2.gz XDTQQOWEKYZNAE-HOTGVXAUSA-N 1 0 380.492 4.133 20 0 GIADRO COc1cc(C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)cc2c1OCCO2 ZINC000180995529 821582480 /nfs/dbraw/zinc/58/24/80/821582480.db2.gz NKLXSCRPRSNJLC-MRXNPFEDSA-N 1 0 375.852 4.123 20 0 GIADRO COc1cc(OC)c([C@@H](C)[NH2+]CCc2nc3cc(F)ccc3n2C)cc1Cl ZINC000181001763 821586215 /nfs/dbraw/zinc/58/62/15/821586215.db2.gz BANKTEGLNHWZKG-GFCCVEGCSA-N 1 0 391.874 4.276 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(F)c(N3CCCCC3)c(F)c2)[C@H](C)C1 ZINC000181004031 821587446 /nfs/dbraw/zinc/58/74/46/821587446.db2.gz DZKUIGKRIIPIQP-BEFAXECRSA-N 1 0 394.510 4.149 20 0 GIADRO CN(C)S(=O)(=O)c1ccc(C[NH2+][C@@H](c2cccc(F)c2)C2CCCC2)cc1 ZINC000181006711 821589292 /nfs/dbraw/zinc/58/92/92/821589292.db2.gz ZKJGQEWPTASGSK-OAQYLSRUSA-N 1 0 390.524 4.097 20 0 GIADRO COCC[C@H](Cc1cccc(F)c1)[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000181008021 821589636 /nfs/dbraw/zinc/58/96/36/821589636.db2.gz OGWWAAKFWRBJNF-GOSISDBHSA-N 1 0 385.508 4.124 20 0 GIADRO COc1cccc(C[C@H]([NH2+]CCc2nc(-c3ccccn3)cs2)C2CC2)c1 ZINC000181008186 821589803 /nfs/dbraw/zinc/58/98/03/821589803.db2.gz GQQNWSGLRDXTIW-FQEVSTJZSA-N 1 0 379.529 4.367 20 0 GIADRO C[C@@H]([NH2+]CCc1nc(-c2ccccn2)cs1)c1ncc(Br)s1 ZINC000181010156 821591071 /nfs/dbraw/zinc/59/10/71/821591071.db2.gz NIMNULFIQPLFOS-SNVBAGLBSA-N 1 0 395.351 4.317 20 0 GIADRO CCC(CC)n1nc(C)cc1C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000181020022 821596682 /nfs/dbraw/zinc/59/66/82/821596682.db2.gz YWLMRGORINCDAR-UZLBHIALSA-N 1 0 388.581 4.427 20 0 GIADRO CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]CCCc1nc2ccccc2n1C ZINC000181020949 821597031 /nfs/dbraw/zinc/59/70/31/821597031.db2.gz JOPHDJWEFWQHFG-SFHVURJKSA-N 1 0 381.520 4.134 20 0 GIADRO Cc1ccc([C@@H]([NH2+]CCSCC(C)C)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000181023704 821598949 /nfs/dbraw/zinc/59/89/49/821598949.db2.gz HKICRSPPOBYFFJ-OAQYLSRUSA-N 1 0 391.602 4.467 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000181029636 821602110 /nfs/dbraw/zinc/60/21/10/821602110.db2.gz MIQYNPATLRREPE-QGZVFWFLSA-N 1 0 391.519 4.131 20 0 GIADRO COC[C@@H](O)CC[NH2+][C@H](c1ccc(Cl)cc1)c1ccc(OC(F)F)cc1 ZINC000181039647 821606317 /nfs/dbraw/zinc/60/63/17/821606317.db2.gz JAYMIBCSKIMVJG-FUHWJXTLSA-N 1 0 385.838 4.018 20 0 GIADRO COC[C@@H](O)CC[NH2+][C@@H](c1ccc(Cl)cc1)c1ccc(OC(F)F)cc1 ZINC000181039689 821607075 /nfs/dbraw/zinc/60/70/75/821607075.db2.gz JAYMIBCSKIMVJG-WMZOPIPTSA-N 1 0 385.838 4.018 20 0 GIADRO Cc1c(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)cnn1C(C)(C)C ZINC000044552898 821607711 /nfs/dbraw/zinc/60/77/11/821607711.db2.gz UTSYQXWVTXIZMP-QGZVFWFLSA-N 1 0 382.552 4.251 20 0 GIADRO Cc1c(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)oc2c1C(=O)CCC2 ZINC000044552653 821607794 /nfs/dbraw/zinc/60/77/94/821607794.db2.gz SWCAPQLQDUNSHQ-INIZCTEOSA-N 1 0 394.515 4.411 20 0 GIADRO Cc1nc2ccccc2n1CC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000044552892 821607824 /nfs/dbraw/zinc/60/78/24/821607824.db2.gz PMNULXNEIQKXEK-GOSISDBHSA-N 1 0 390.531 4.036 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@@H](Cc2ccccc2)C2CC2)c1 ZINC000181049029 821610280 /nfs/dbraw/zinc/61/02/80/821610280.db2.gz PNHXDNJTMGSFNF-JXFKEZNVSA-N 1 0 382.504 4.032 20 0 GIADRO COc1cc([C@H](C)[NH2+]CCCNC(=O)c2occc2C)ccc1SC(F)F ZINC000181075522 821620527 /nfs/dbraw/zinc/62/05/27/821620527.db2.gz FVPDFCXUNGCLRZ-ZDUSSCGKSA-N 1 0 398.475 4.382 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)c1c(Cl)cccc1Cl)c1cccc(N2CCOC2=O)c1 ZINC000181107966 821637373 /nfs/dbraw/zinc/63/73/73/821637373.db2.gz VOLNIRIPOONDPG-YVEFUNNKSA-N 1 0 395.286 4.334 20 0 GIADRO O=C(Nc1ccc2[nH]c(C(F)F)nc2c1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000181114227 821640717 /nfs/dbraw/zinc/64/07/17/821640717.db2.gz JYLQLJUIFITSAN-GOSISDBHSA-N 1 0 399.445 4.459 20 0 GIADRO CCCC(=O)Nc1cccc(CNC(=O)c2ccc(C[NH+](CC)CC)cc2)c1 ZINC000044664448 821641071 /nfs/dbraw/zinc/64/10/71/821641071.db2.gz CRGZNVOQRYFKJI-UHFFFAOYSA-N 1 0 381.520 4.197 20 0 GIADRO C[C@@H]([NH2+]C1CCC(S(C)(=O)=O)CC1)c1ccccc1OCc1ccccc1 ZINC000181119157 821644078 /nfs/dbraw/zinc/64/40/78/821644078.db2.gz FSXOGNBKMMYJFC-QHGAOEGBSA-N 1 0 387.545 4.272 20 0 GIADRO Cn1cc(C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)c(-c2ccccc2)n1 ZINC000181119129 821644290 /nfs/dbraw/zinc/64/42/90/821644290.db2.gz FPDYOKPPTZRNOF-UHFFFAOYSA-N 1 0 389.425 4.140 20 0 GIADRO CCCOc1ccc([C@@H](C)[NH2+]C2CCC(S(C)(=O)=O)CC2)cc1OCCC ZINC000181120806 821645403 /nfs/dbraw/zinc/64/54/03/821645403.db2.gz CQKSGTYSPGEFKI-IPJUCJBFSA-N 1 0 397.581 4.271 20 0 GIADRO OCC1CC[NH+](Cc2cccc(N[C@@H](c3ccccc3)c3ccccn3)c2)CC1 ZINC000181134613 821654450 /nfs/dbraw/zinc/65/44/50/821654450.db2.gz LGGPTNZJDHOEEW-VWLOTQADSA-N 1 0 387.527 4.487 20 0 GIADRO C[C@@H](O)CC(C)(C)C[NH2+][C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000181136811 821656447 /nfs/dbraw/zinc/65/64/47/821656447.db2.gz UOUHMEIVIGCGEU-NWDGAFQWSA-N 1 0 394.865 4.463 20 0 GIADRO CCOc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000044803175 821665173 /nfs/dbraw/zinc/66/51/73/821665173.db2.gz RPJLGFVIRFTWIR-KGLIPLIRSA-N 1 0 378.419 4.365 20 0 GIADRO C[C@@H]([NH2+]CCCN1C(=O)COc2ccccc21)[C@H](C)c1nc2ccccc2s1 ZINC000181151199 821665591 /nfs/dbraw/zinc/66/55/91/821665591.db2.gz ULAMKXPTZWVROJ-JKSUJKDBSA-N 1 0 395.528 4.194 20 0 GIADRO C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N(C)c1ccccc1)c1cncc(F)c1 ZINC000181162511 821673000 /nfs/dbraw/zinc/67/30/00/821673000.db2.gz KIQDFCAXDJEZKV-JTSKRJEESA-N 1 0 377.463 4.146 20 0 GIADRO CC(C)n1cc([C@H](C)[NH2+][C@@H](Cc2ccccc2)C(=O)N(C)c2ccccc2)cn1 ZINC000181163237 821673041 /nfs/dbraw/zinc/67/30/41/821673041.db2.gz ZRGBRDWBTCQYFV-CVDCTZTESA-N 1 0 390.531 4.389 20 0 GIADRO COc1ccc(SCC(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000044879435 821676395 /nfs/dbraw/zinc/67/63/95/821676395.db2.gz DHMFIDWQCCOWNK-GOSISDBHSA-N 1 0 398.572 4.336 20 0 GIADRO COc1ccc([C@H](C)[NH2+]C[C@@H](C)Oc2ccccc2Cl)cc1NC(C)=O ZINC000181181815 821681644 /nfs/dbraw/zinc/68/16/44/821681644.db2.gz NPBDPHBNMJBPKI-KGLIPLIRSA-N 1 0 376.884 4.425 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1oc(Br)cc1C ZINC000044958644 821683466 /nfs/dbraw/zinc/68/34/66/821683466.db2.gz LUWYAIJDMFHADC-UHFFFAOYSA-N 1 0 379.298 4.122 20 0 GIADRO Cc1cc(Br)ccc1C[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000181184432 821683594 /nfs/dbraw/zinc/68/35/94/821683594.db2.gz SFWLSUFAXNHTRA-OAHLLOKOSA-N 1 0 375.314 4.064 20 0 GIADRO Cc1cc2ncc([C@@H](C)[NH2+][C@H](c3ccc4c(c3)OCCO4)C(C)C)c(C)n2n1 ZINC000181190060 821686412 /nfs/dbraw/zinc/68/64/12/821686412.db2.gz HJPDWUNZYLFVHM-QRQCRPRQSA-N 1 0 380.492 4.165 20 0 GIADRO Cc1cc2ncc([C@H](C)[NH2+][C@H](C)c3ccc(NC(=O)C4CC4)cc3)c(C)n2n1 ZINC000181193858 821688940 /nfs/dbraw/zinc/68/89/40/821688940.db2.gz GPTWLNINVPOYCD-CABCVRRESA-N 1 0 377.492 4.106 20 0 GIADRO C[C@@H](NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1)c1nccs1 ZINC000181200212 821692582 /nfs/dbraw/zinc/69/25/82/821692582.db2.gz FAFKJDIMOFSKIZ-LJQANCHMSA-N 1 0 392.572 4.316 20 0 GIADRO Cc1cc2ncc([C@H](C)[NH2+]Cc3cccc(OCC(F)(F)F)c3)c(C)n2n1 ZINC000181202945 821694782 /nfs/dbraw/zinc/69/47/82/821694782.db2.gz JBNOCWLGIMOHPC-ZDUSSCGKSA-N 1 0 378.398 4.138 20 0 GIADRO COCCO[C@H]1CCC[N@H+](Cc2cc(-c3c(OC)ccc4ccccc43)no2)C1 ZINC000181203347 821694913 /nfs/dbraw/zinc/69/49/13/821694913.db2.gz MZUCMIIGIIKLIS-SFHVURJKSA-N 1 0 396.487 4.131 20 0 GIADRO COC(=O)c1oc([C@@H](C)[NH+]2CCC(OCc3ccc(F)cc3)CC2)cc1C ZINC000181204707 821695719 /nfs/dbraw/zinc/69/57/19/821695719.db2.gz HNDCGUQPMSIDFW-OAHLLOKOSA-N 1 0 375.440 4.256 20 0 GIADRO CN(C(=O)C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)[C@H]1CCCc2ccccc21 ZINC000181205033 821696350 /nfs/dbraw/zinc/69/63/50/821696350.db2.gz ZUHMBKZBASPERH-IEXUWNMDSA-N 1 0 392.543 4.280 20 0 GIADRO O=C(C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1)Nc1nc2ccc(F)cc2s1 ZINC000181210300 821699098 /nfs/dbraw/zinc/69/90/98/821699098.db2.gz ZXWUJBXMBOQRRI-RDTXWAMCSA-N 1 0 399.491 4.131 20 0 GIADRO Cc1cccc(COc2ccc([C@H](C)[NH2+]CC3(CS(C)(=O)=O)CC3)cc2)c1 ZINC000181226071 821705775 /nfs/dbraw/zinc/70/57/75/821705775.db2.gz LYNQWPHVIAYCCC-SFHVURJKSA-N 1 0 387.545 4.049 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)N3C[C@H](C)[C@H]4CCCC[C@@H]43)c(C)c2)CC1 ZINC000181233339 821710425 /nfs/dbraw/zinc/71/04/25/821710425.db2.gz BKQFNQJANKYBSA-DWLFOUALSA-N 1 0 384.568 4.179 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)CCn1ccc2ccccc21 ZINC000181238064 821713471 /nfs/dbraw/zinc/71/34/71/821713471.db2.gz ISXODDWNPYFQJP-UHFFFAOYSA-N 1 0 390.531 4.192 20 0 GIADRO O=C(C[NH2+][C@H](c1ccccc1)[C@@H]1CCCc2ccccc21)NCc1cccnc1 ZINC000181240461 821714381 /nfs/dbraw/zinc/71/43/81/821714381.db2.gz ISYFGHQLVJPVMW-ILBGXUMGSA-N 1 0 385.511 4.149 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@H]2CCN(c3ccc(F)c(Cl)c3)C2)c1 ZINC000181250056 821718256 /nfs/dbraw/zinc/71/82/56/821718256.db2.gz LSTBRQLWLQSKRS-DYVFJYSZSA-N 1 0 375.875 4.367 20 0 GIADRO COc1ccc([C@H](C)[NH2+]Cc2cccc(Br)c2OC)cc1OC ZINC000181261251 821722876 /nfs/dbraw/zinc/72/28/76/821722876.db2.gz WMFKZJIHQRJXFA-LBPRGKRZSA-N 1 0 380.282 4.326 20 0 GIADRO C[C@H]([NH2+]CC(=O)NCc1ccc(Cl)cc1)c1ccc(-c2cccnc2)cc1 ZINC000181276316 821729149 /nfs/dbraw/zinc/72/91/49/821729149.db2.gz MKPIFMSGKFTJLX-INIZCTEOSA-N 1 0 379.891 4.369 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+]CCc2ccccc2OC(F)(F)F)s1 ZINC000181281789 821732889 /nfs/dbraw/zinc/73/28/89/821732889.db2.gz SNRURLXOKZADNG-LBPRGKRZSA-N 1 0 388.455 4.432 20 0 GIADRO COc1cccc([C@@H]2[C@H]([NH2+][C@H](C)c3cccc(NC(C)=O)c3)CCN2C2CC2)c1 ZINC000181282462 821733720 /nfs/dbraw/zinc/73/37/20/821733720.db2.gz AUWDWVYNEYUIAI-GRFCFPJTSA-N 1 0 393.531 4.282 20 0 GIADRO COc1cc([C@@H](C)[NH2+]CC2(Cc3ccccc3)CCC2)ccc1S(C)(=O)=O ZINC000181290713 821737868 /nfs/dbraw/zinc/73/78/68/821737868.db2.gz TVTODCQJZWUSJR-QGZVFWFLSA-N 1 0 387.545 4.162 20 0 GIADRO CCCOc1ccc(OCC[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)cc1 ZINC000181301505 821744033 /nfs/dbraw/zinc/74/40/33/821744033.db2.gz DBJIGCOFKQHJBA-QGZVFWFLSA-N 1 0 384.476 4.162 20 0 GIADRO Cc1sc(CC[NH2+][C@H](C)CC(=O)N2CCCCCC2)nc1-c1ccccc1 ZINC000181306544 821746542 /nfs/dbraw/zinc/74/65/42/821746542.db2.gz MPZKKOGXBKSOQJ-QGZVFWFLSA-N 1 0 385.577 4.432 20 0 GIADRO COCCOc1ccc([C@@H](C)[NH2+][C@H]2CCCOc3c(F)cccc32)cc1OC ZINC000181321735 821758374 /nfs/dbraw/zinc/75/83/74/821758374.db2.gz ORBLGDHXPZXHAV-BEFAXECRSA-N 1 0 389.467 4.424 20 0 GIADRO CC(C)OC(=O)c1ccc(C[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)cc1 ZINC000181325012 821759459 /nfs/dbraw/zinc/75/94/59/821759459.db2.gz TTYAPIGIBPJIIA-MRXNPFEDSA-N 1 0 382.460 4.059 20 0 GIADRO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCOc1ccc(C(F)(F)F)cn1 ZINC000181325946 821760193 /nfs/dbraw/zinc/76/01/93/821760193.db2.gz YRXRCKZCZOHNQK-CQSZACIVSA-N 1 0 395.425 4.049 20 0 GIADRO Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+]C1(c2ccc(Cl)cc2)CCC1 ZINC000181327558 821761332 /nfs/dbraw/zinc/76/13/32/821761332.db2.gz JSZYQEAXDRETGJ-UHFFFAOYSA-N 1 0 389.927 4.274 20 0 GIADRO COc1cccc2[nH]cc(CC[NH2+][C@H](C)CC(=O)Nc3cccc(C)c3C)c21 ZINC000181332320 821764511 /nfs/dbraw/zinc/76/45/11/821764511.db2.gz YDCUQPLTBAWCNE-MRXNPFEDSA-N 1 0 379.504 4.343 20 0 GIADRO COc1cccc2[nH]cc(CC[NH2+]C3CCC4(CC3)C(=O)Nc3ccccc34)c21 ZINC000181333675 821765887 /nfs/dbraw/zinc/76/58/87/821765887.db2.gz MWUILDXQEVFUMO-UHFFFAOYSA-N 1 0 389.499 4.141 20 0 GIADRO C[C@@H]([NH2+]CCOc1ncc(Cl)cc1Cl)c1ccc(N2CCOC2=O)cc1 ZINC000181340583 821771746 /nfs/dbraw/zinc/77/17/46/821771746.db2.gz UYXFKIRBISYZJI-GFCCVEGCSA-N 1 0 396.274 4.075 20 0 GIADRO Cc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)c(Cl)c1 ZINC000181341920 821773177 /nfs/dbraw/zinc/77/31/77/821773177.db2.gz JTRSYRGVFJATBS-HNNXBMFYSA-N 1 0 385.895 4.065 20 0 GIADRO Cc1cccc(C)c1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000181354799 821782502 /nfs/dbraw/zinc/78/25/02/821782502.db2.gz KKVICLKJOQTDOT-MSOLQXFVSA-N 1 0 379.504 4.108 20 0 GIADRO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)c(C)c1 ZINC000181354643 821782597 /nfs/dbraw/zinc/78/25/97/821782597.db2.gz YIUKCMYJQGMBHF-MSOLQXFVSA-N 1 0 379.504 4.108 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1)C(=O)Nc1ccccc1Cl ZINC000181361637 821787920 /nfs/dbraw/zinc/78/79/20/821787920.db2.gz NRWHHVXGBMGZID-GJZGRUSLSA-N 1 0 385.895 4.145 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+]Cc2cccc(NC(=O)CC(C)C)c2)s1 ZINC000181391663 821802218 /nfs/dbraw/zinc/80/22/18/821802218.db2.gz NMVNEPIDVHDLNB-OAHLLOKOSA-N 1 0 389.565 4.476 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)s1 ZINC000181393373 821803886 /nfs/dbraw/zinc/80/38/86/821803886.db2.gz AZWXRTNDACGCMI-CABCVRRESA-N 1 0 387.549 4.179 20 0 GIADRO Cc1ccc(NC(=O)C[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)c(Cl)c1 ZINC000181396063 821806031 /nfs/dbraw/zinc/80/60/31/821806031.db2.gz DVQXHKKWFGWHIH-HNNXBMFYSA-N 1 0 385.895 4.065 20 0 GIADRO COc1cccc2cc([C@H](C)[NH2+]C[C@H](c3cccs3)N3CCOCC3)oc21 ZINC000181398139 821806210 /nfs/dbraw/zinc/80/62/10/821806210.db2.gz HDNLZRMATFKRMI-DOTOQJQBSA-N 1 0 386.517 4.227 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+]CCOc2ccc(C(F)(F)F)cc2)s1 ZINC000181397395 821806316 /nfs/dbraw/zinc/80/63/16/821806316.db2.gz CYKPJCCCZIQAOT-LBPRGKRZSA-N 1 0 388.455 4.389 20 0 GIADRO CCc1cccc(CC)c1NC(=O)C[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181399077 821806350 /nfs/dbraw/zinc/80/63/50/821806350.db2.gz HSTHMMZCWUBFQJ-KRWDZBQOSA-N 1 0 393.531 4.228 20 0 GIADRO COc1cc(C)c([C@@H](C)[NH2+][C@@H](CO)c2cccc(Br)c2)cc1OC ZINC000181400795 821807300 /nfs/dbraw/zinc/80/73/00/821807300.db2.gz GJLDRGQLCSOBGH-DYVFJYSZSA-N 1 0 394.309 4.159 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+]CC(C)(C)c2ccc3c(c2)OCCO3)s1 ZINC000181404747 821808604 /nfs/dbraw/zinc/80/86/04/821808604.db2.gz UKWXXPPHIFPEBP-AWEZNQCLSA-N 1 0 390.549 4.040 20 0 GIADRO Cc1cccc([C@H](O)C[NH2+][C@H](C)CC(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000181404750 821808615 /nfs/dbraw/zinc/80/86/15/821808615.db2.gz MBJRAJPPKWYSLF-RDTXWAMCSA-N 1 0 380.410 4.054 20 0 GIADRO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181417353 821815056 /nfs/dbraw/zinc/81/50/56/821815056.db2.gz CPJXASXLMJFSCW-FHWLQOOXSA-N 1 0 393.531 4.038 20 0 GIADRO O[C@@H](C[C@@H]1CCCCC[N@@H+]1Cc1nnc(C2CC2)n1C1CC1)c1ccccc1 ZINC000181421523 821818005 /nfs/dbraw/zinc/81/80/05/821818005.db2.gz LPKPEOAVXYPOOK-SFTDATJTSA-N 1 0 380.536 4.359 20 0 GIADRO Cc1cccc(Cl)c1NC(=O)C[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181428014 821821913 /nfs/dbraw/zinc/82/19/13/821821913.db2.gz OBTAKBJBYJCDJD-OAHLLOKOSA-N 1 0 385.895 4.065 20 0 GIADRO COc1ccc(-c2ncc(C(=O)N[C@@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)s2)cc1 ZINC000181433621 821825139 /nfs/dbraw/zinc/82/51/39/821825139.db2.gz UHNNQAAWJIOJER-RDJZCZTQSA-N 1 0 399.560 4.202 20 0 GIADRO CCOc1cccc2cc([C@@H](C)[NH2+]C[C@@H](O)c3cc(OC)ccc3OC)oc21 ZINC000181442584 821828261 /nfs/dbraw/zinc/82/82/61/821828261.db2.gz DTUPLEVYETYLGZ-RDTXWAMCSA-N 1 0 385.460 4.233 20 0 GIADRO Cc1oc(-c2ccsc2)nc1CC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181446663 821830135 /nfs/dbraw/zinc/83/01/35/821830135.db2.gz PGQQICNBEAOSRW-GOEBONIOSA-N 1 0 387.549 4.023 20 0 GIADRO Cc1ccc2c(C[NH2+][C@H](C)c3cccc(N4CCCC4=O)c3)cc(=O)oc2c1C ZINC000181448821 821830902 /nfs/dbraw/zinc/83/09/02/821830902.db2.gz CRGUOEZHJOCXNB-QGZVFWFLSA-N 1 0 390.483 4.387 20 0 GIADRO C[C@H](NC(=O)c1cc(Br)ccc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181450252 821831406 /nfs/dbraw/zinc/83/14/06/821831406.db2.gz DJVZKXFZCGFRGH-QWHCGFSZSA-N 1 0 399.760 4.485 20 0 GIADRO CCn1c2ccc(F)cc2nc1NC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000181459095 821835205 /nfs/dbraw/zinc/83/52/05/821835205.db2.gz SAFQFKYGWFLZOZ-UHFFFAOYSA-N 1 0 380.423 4.255 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(Br)cc1N1CCOCC1)c1ccsc1 ZINC000181459639 821835958 /nfs/dbraw/zinc/83/59/58/821835958.db2.gz UHLLFLYFGZNNNV-ZDUSSCGKSA-N 1 0 381.339 4.198 20 0 GIADRO CCOc1c(Cl)cc(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1OC ZINC000181465331 821838778 /nfs/dbraw/zinc/83/87/78/821838778.db2.gz YSILJYOVRCGPFT-CABCVRRESA-N 1 0 394.943 4.130 20 0 GIADRO CCCOc1ccc(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1OCC ZINC000181483230 821846179 /nfs/dbraw/zinc/84/61/79/821846179.db2.gz PLFYYHAOIFNFLF-PKOBYXMFSA-N 1 0 388.552 4.257 20 0 GIADRO C[C@H](NC(=O)c1cc2c(cccc2OC(F)F)[nH]1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181492913 821851600 /nfs/dbraw/zinc/85/16/00/821851600.db2.gz XMXORFXYLSCTFR-UONOGXRCSA-N 1 0 391.462 4.152 20 0 GIADRO CCO[C@@H]1C[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3F)CC2)C1(CC)CC ZINC000181496581 821853858 /nfs/dbraw/zinc/85/38/58/821853858.db2.gz ABCZUZYLGIHQSF-WOJBJXKFSA-N 1 0 376.516 4.004 20 0 GIADRO Cc1nc2ccccc2c(C)c1CC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181503584 821856458 /nfs/dbraw/zinc/85/64/58/821856458.db2.gz TWTMLNCGDLUFJF-IEBWSBKVSA-N 1 0 379.548 4.163 20 0 GIADRO Clc1ccc([C@@H](C[NH2+]Cc2cccc3cnccc32)N2CCOCC2)cc1 ZINC000181507195 821858358 /nfs/dbraw/zinc/85/83/58/821858358.db2.gz DPJSMSPBMTXNME-JOCHJYFZSA-N 1 0 381.907 4.051 20 0 GIADRO C[C@H](NC(=O)COc1cc(Cl)ccc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181509203 821859748 /nfs/dbraw/zinc/85/97/48/821859748.db2.gz WQXIDFRKEHBKPG-UONOGXRCSA-N 1 0 385.335 4.141 20 0 GIADRO CC(C)[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1ccc(C(F)(F)F)cc1 ZINC000181511176 821860929 /nfs/dbraw/zinc/86/09/29/821860929.db2.gz RTIHUFOTGZWSKG-KBPBESRZSA-N 1 0 382.348 4.155 20 0 GIADRO Cc1noc2nc(C(C)C)cc(C(=O)N[C@@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)c12 ZINC000181517798 821863787 /nfs/dbraw/zinc/86/37/87/821863787.db2.gz BIEWLFDADBNECH-HOCLYGCPSA-N 1 0 384.524 4.037 20 0 GIADRO C[C@@H](NC(=O)CCc1ccccc1Br)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181519622 821864131 /nfs/dbraw/zinc/86/41/31/821864131.db2.gz CWFXLXYJQROXBT-WBVHZDCISA-N 1 0 393.369 4.151 20 0 GIADRO COc1cc(CNc2cc(C[NH+](C)C)ccn2)ccc1OCc1ccccc1 ZINC000181526492 821866729 /nfs/dbraw/zinc/86/67/29/821866729.db2.gz RREPYPPWOSMPHX-UHFFFAOYSA-N 1 0 377.488 4.343 20 0 GIADRO CCOc1cc(CNc2cc(C[NH+](C)C)ccn2)ccc1OCC(F)(F)F ZINC000181526757 821867241 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383.488 4.004 20 0 GIADRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)Nc1cccc(NC(=O)C2CCCCC2)c1 ZINC000181620216 821906877 /nfs/dbraw/zinc/90/68/77/821906877.db2.gz LKAGAKHCKDWFNW-FQEVSTJZSA-N 1 0 386.540 4.009 20 0 GIADRO C[C@H](NC(=O)c1ccc(Oc2cccnc2)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181629757 821912296 /nfs/dbraw/zinc/91/22/96/821912296.db2.gz PKKVMDQEFNGVIV-PKOBYXMFSA-N 1 0 379.504 4.257 20 0 GIADRO Cc1noc(C)c1[C@H](C)C[NH2+][C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000181629684 821912385 /nfs/dbraw/zinc/91/23/85/821912385.db2.gz LCYGRZCQHYHHEE-HUUCEWRRSA-N 1 0 390.549 4.462 20 0 GIADRO Cc1noc(C)c1[C@@H](C)C[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000181629304 821912453 /nfs/dbraw/zinc/91/24/53/821912453.db2.gz DACMZBRVIUWODL-QWRGUYRKSA-N 1 0 384.261 4.350 20 0 GIADRO C[C@@H]([NH2+]CC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1)c1cccnc1 ZINC000181638247 821917054 /nfs/dbraw/zinc/91/70/54/821917054.db2.gz ZUQHNCZRECOWCL-XMSQKQJNSA-N 1 0 398.510 4.162 20 0 GIADRO 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CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000181659914 821928532 /nfs/dbraw/zinc/92/85/32/821928532.db2.gz NFWRIPXELKGYPX-PXNSSMCTSA-N 1 0 397.544 4.084 20 0 GIADRO CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)c1ccc(SC)c(OC)c1 ZINC000181662194 821929785 /nfs/dbraw/zinc/92/97/85/821929785.db2.gz JJIVEJTXNJRUME-RDJZCZTQSA-N 1 0 393.574 4.320 20 0 GIADRO CC[C@H](CSc1ccccc1)[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000181667158 821933366 /nfs/dbraw/zinc/93/33/66/821933366.db2.gz QIEOCVQHWRLATE-GOEBONIOSA-N 1 0 381.538 4.451 20 0 GIADRO C[C@H](NC(=O)c1occc1COc1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181669232 821934931 /nfs/dbraw/zinc/93/49/31/821934931.db2.gz NXAOSGQNOUCXSZ-ROUUACIJSA-N 1 0 382.504 4.241 20 0 GIADRO C[C@H](NC(=O)c1cccnc1SC(F)(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181670113 821935752 /nfs/dbraw/zinc/93/57/52/821935752.db2.gz AKHUSRSQJZROKV-STQMWFEESA-N 1 0 387.471 4.076 20 0 GIADRO C[C@H](NC(=O)/C=C/c1cnc(C(C)(C)C)s1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181678234 821939729 /nfs/dbraw/zinc/93/97/29/821939729.db2.gz ZATHMFSZAIDLKJ-ISEXYEMMSA-N 1 0 375.582 4.223 20 0 GIADRO COc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000181702215 821950661 /nfs/dbraw/zinc/95/06/61/821950661.db2.gz NVADXBPAVKPOFP-GOSISDBHSA-N 1 0 385.895 4.234 20 0 GIADRO COc1ccccc1[C@H](CC(C)C)[NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000181702195 821950825 /nfs/dbraw/zinc/95/08/25/821950825.db2.gz NVADXBPAVKPOFP-SFHVURJKSA-N 1 0 385.895 4.234 20 0 GIADRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+][C@@H]3CCN(c4ccccn4)C3)s2)cc1 ZINC000181703366 821951371 /nfs/dbraw/zinc/95/13/71/821951371.db2.gz ASCXXOMUDYLYMW-CRAIPNDOSA-N 1 0 394.544 4.452 20 0 GIADRO CC(C)C[N@H+](C[C@H](O)c1ccc(F)cc1)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000181717451 821958508 /nfs/dbraw/zinc/95/85/08/821958508.db2.gz ZLDOTYKZZIZCKL-NRFANRHFSA-N 1 0 392.559 4.102 20 0 GIADRO CCc1nn(C)c(CC)c1C[NH2+][C@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000181724505 821962560 /nfs/dbraw/zinc/96/25/60/821962560.db2.gz NGRBUHLAJWIKKX-CYBMUJFWSA-N 1 0 396.457 4.071 20 0 GIADRO Fc1cccc(F)c1-n1ccc(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)n1 ZINC000181765458 821983206 /nfs/dbraw/zinc/98/32/06/821983206.db2.gz OVXCUTXRXGPDNU-HRAATJIYSA-N 1 0 383.442 4.408 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1)c1c(C)noc1C ZINC000181770394 821985619 /nfs/dbraw/zinc/98/56/19/821985619.db2.gz UUZVIXVPCUBKKK-LIRRHRJNSA-N 1 0 393.553 4.124 20 0 GIADRO COc1cccc2cc([C@H](C)[NH2+]CCNc3nccc(C(F)(F)F)n3)oc21 ZINC000181777999 821988375 /nfs/dbraw/zinc/98/83/75/821988375.db2.gz SFWJBRMKSWQTKC-NSHDSACASA-N 1 0 380.370 4.013 20 0 GIADRO CCC[C@H]([NH2+]CC(=O)N[C@@H](c1nccs1)c1ccccc1)c1ccccc1 ZINC000181787846 821992759 /nfs/dbraw/zinc/99/27/59/821992759.db2.gz UNOHMXIFODXUAP-PZJWPPBQSA-N 1 0 379.529 4.480 20 0 GIADRO CC[C@@H]([NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(OC(F)F)cc1 ZINC000181814751 822003702 /nfs/dbraw/zinc/00/37/02/822003702.db2.gz LJHSMYUFVQHZDE-FXAWDEMLSA-N 1 0 388.458 4.377 20 0 GIADRO C[C@@H]([NH2+]C[C@H](C)c1nc(-c2ccccc2)no1)c1ccc2c(c1)OCCCO2 ZINC000181846895 822015952 /nfs/dbraw/zinc/01/59/52/822015952.db2.gz DWZCZWWYYTVIKZ-JKSUJKDBSA-N 1 0 379.460 4.352 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)COCc1ccc(Cl)cc1)c1cccc(N2CCCC2)c1 ZINC000181864573 822020409 /nfs/dbraw/zinc/02/04/09/822020409.db2.gz KMBSSGFUBLPFRN-VGOFRKELSA-N 1 0 388.939 4.169 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(Cl)s1)c1cccc(N2CCCC2)c1 ZINC000181888494 822027454 /nfs/dbraw/zinc/02/74/54/822027454.db2.gz UDGPFXHMHVOMHH-OAHLLOKOSA-N 1 0 391.968 4.311 20 0 GIADRO CC(=O)c1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(N2CCCC2)c1 ZINC000181892346 822028636 /nfs/dbraw/zinc/02/86/36/822028636.db2.gz RUMXHHHGMVQNLX-IAGOWNOFSA-N 1 0 379.504 4.167 20 0 GIADRO CC[C@H](c1nnc(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)s1)c1ccccc1 ZINC000181900146 822031158 /nfs/dbraw/zinc/03/11/58/822031158.db2.gz OSXOAFRXHAUFPG-WMZOPIPTSA-N 1 0 399.564 4.030 20 0 GIADRO C[C@@H]([NH2+]Cc1cc(-c2ccc(Cl)cc2)no1)c1ccc(-n2cncn2)cc1 ZINC000181916101 822035760 /nfs/dbraw/zinc/03/57/60/822035760.db2.gz AIUHIUYANPPYKT-CQSZACIVSA-N 1 0 379.851 4.427 20 0 GIADRO O=C(c1ccc(C(F)(F)F)cc1Cl)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000181951946 822043683 /nfs/dbraw/zinc/04/36/83/822043683.db2.gz OPXDZGYWKRVGNE-PXAZEXFGSA-N 1 0 386.845 4.448 20 0 GIADRO CCOc1cc(C[NH2+][C@@H](C)c2ccc(NC(C)=O)cc2)ccc1OC(F)F ZINC000181964082 822047825 /nfs/dbraw/zinc/04/78/25/822047825.db2.gz NQEYJMLAEPTXOD-ZDUSSCGKSA-N 1 0 378.419 4.496 20 0 GIADRO COc1ccccc1[C@H](O)C[NH2+]C1CCC(O)(c2ccc(C(C)C)cc2)CC1 ZINC000181978887 822051397 /nfs/dbraw/zinc/05/13/97/822051397.db2.gz HOALDTPEZHVMFL-DJSMFCCRSA-N 1 0 383.532 4.272 20 0 GIADRO C[C@H]1CN(Cc2cccc(C[NH2+][C@@H]3CCCOc4cc(F)ccc43)c2)CCO1 ZINC000181996681 822057533 /nfs/dbraw/zinc/05/75/33/822057533.db2.gz QWZUASCMASYMEW-HTAPYJJXSA-N 1 0 384.495 4.050 20 0 GIADRO C[C@@H]([NH2+]CCOc1cccc(Br)c1)c1ccc(OCC#N)cc1 ZINC000182001318 822058606 /nfs/dbraw/zinc/05/86/06/822058606.db2.gz VOUNGJAEOQZLSI-CQSZACIVSA-N 1 0 375.266 4.081 20 0 GIADRO C[C@@H]([NH2+][C@H](CC(N)=O)C1CCCCC1)c1ncc(-c2ccc(Cl)cc2)o1 ZINC000182011049 822061431 /nfs/dbraw/zinc/06/14/31/822061431.db2.gz VXDZIVVXMWPCSJ-CXAGYDPISA-N 1 0 375.900 4.470 20 0 GIADRO CCNC(=O)c1cccc(C[NH2+]C2CCC(O)(c3ccc(C(C)C)cc3)CC2)c1 ZINC000182015603 822063323 /nfs/dbraw/zinc/06/33/23/822063323.db2.gz CIKJSGUPHAHKRX-UHFFFAOYSA-N 1 0 394.559 4.480 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1ccc(OCC2CCOCC2)cc1 ZINC000182017415 822064295 /nfs/dbraw/zinc/06/42/95/822064295.db2.gz AKHBIIDEDBKGDD-CYFREDJKSA-N 1 0 395.547 4.210 20 0 GIADRO C[C@H](NCc1coc(-c2ccc(F)c(F)c2)n1)c1ccc(-n2ccnn2)cc1 ZINC000182021960 822065362 /nfs/dbraw/zinc/06/53/62/822065362.db2.gz MIIFQCTVSVKISZ-ZDUSSCGKSA-N 1 0 381.386 4.051 20 0 GIADRO CN(C(=O)c1ccc(C(F)(F)F)cc1O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000182038080 822070203 /nfs/dbraw/zinc/07/02/03/822070203.db2.gz HHTLMVYXOZTTAL-UHFFFAOYSA-N 1 0 392.421 4.148 20 0 GIADRO Cc1nn(C)c(C)c1CCC[NH2+]Cc1cccc2c1N(C(=O)OC(C)(C)C)CC2 ZINC000182045062 822071837 /nfs/dbraw/zinc/07/18/37/822071837.db2.gz WXQNDWWHDREBNU-UHFFFAOYSA-N 1 0 398.551 4.057 20 0 GIADRO COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@H](C)c2ccc(NC(C)=O)cc2)C1 ZINC000182049078 822073688 /nfs/dbraw/zinc/07/36/88/822073688.db2.gz ZAKXFYIMWOIDQX-KUHUBIRLSA-N 1 0 387.911 4.237 20 0 GIADRO Cc1cccc2c(CCC(=O)Nc3ccccc3C[NH+]3CCC(O)CC3)c[nH]c21 ZINC000182058865 822077239 /nfs/dbraw/zinc/07/72/39/822077239.db2.gz WYPXAQCQEITTRU-UHFFFAOYSA-N 1 0 391.515 4.004 20 0 GIADRO CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H](CNC(=O)OC(C)(C)C)CC(C)C)cc1 ZINC000182076181 822083210 /nfs/dbraw/zinc/08/32/10/822083210.db2.gz ATMHLTNWPJXJRQ-HNAYVOBHSA-N 1 0 377.529 4.235 20 0 GIADRO CC(=O)Nc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(Cc3c(F)cccc3F)C2)cc1 ZINC000182076033 822083224 /nfs/dbraw/zinc/08/32/24/822083224.db2.gz OEVNDXMQIJONBN-DNVCBOLYSA-N 1 0 387.474 4.238 20 0 GIADRO CC(=O)Nc1ccc([C@@H](C)[NH2+][C@H]2CCCN(Cc3c(F)cccc3F)C2)cc1 ZINC000182076073 822083360 /nfs/dbraw/zinc/08/33/60/822083360.db2.gz OEVNDXMQIJONBN-BEFAXECRSA-N 1 0 387.474 4.238 20 0 GIADRO CC(C)Sc1ccc([C@H](C)[NH2+]CC(=O)Nc2cccc(C(=O)N(C)C)c2)cc1 ZINC000182101575 822094624 /nfs/dbraw/zinc/09/46/24/822094624.db2.gz IVOJAAOXFDVLFJ-INIZCTEOSA-N 1 0 399.560 4.178 20 0 GIADRO C[S@@](=O)C[C@H]([NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1)c1ccccc1 ZINC000182102967 822094973 /nfs/dbraw/zinc/09/49/73/822094973.db2.gz HDEMSWRUAURWAT-AVRWGWEMSA-N 1 0 396.339 4.479 20 0 GIADRO COC(=O)c1ccc(Cl)c(C[NH2+][C@H](C)c2cc(OC)c(OC)cc2C)c1 ZINC000182107645 822096717 /nfs/dbraw/zinc/09/67/17/822096717.db2.gz ZXEDVMPEINQNSX-CYBMUJFWSA-N 1 0 377.868 4.303 20 0 GIADRO COC(=O)c1ccc(Cl)c(C[NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)c1 ZINC000182111961 822098370 /nfs/dbraw/zinc/09/83/70/822098370.db2.gz JQIDGFPUIHZQTE-CQSZACIVSA-N 1 0 386.879 4.104 20 0 GIADRO CCSc1ccc([C@H](C)[NH2+]CC(=O)NC[C@H]2CCN(c3ccccc3)C2)cc1 ZINC000182113006 822098911 /nfs/dbraw/zinc/09/89/11/822098911.db2.gz SBVNJTKHRIANSK-RBUKOAKNSA-N 1 0 397.588 4.092 20 0 GIADRO CC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)cc1 ZINC000182127492 822107192 /nfs/dbraw/zinc/10/71/92/822107192.db2.gz WZJOAHZFWYJEMW-QGZVFWFLSA-N 1 0 379.504 4.122 20 0 GIADRO C[C@@H](Nc1cccc(OC[C@H]2CCCO2)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000182129836 822108595 /nfs/dbraw/zinc/10/85/95/822108595.db2.gz AWDHMNIFCZBGNB-WZONZLPQSA-N 1 0 384.520 4.358 20 0 GIADRO CCc1noc(-c2ccc(CC[NH2+][C@@H](C)c3ccc(NC(C)=O)cc3)cc2)n1 ZINC000182130932 822109209 /nfs/dbraw/zinc/10/92/09/822109209.db2.gz VHAWSUHXTKWAHT-HNNXBMFYSA-N 1 0 378.476 4.151 20 0 GIADRO CCCC[N@H+](CCCO)[C@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000182143283 822114760 /nfs/dbraw/zinc/11/47/60/822114760.db2.gz MEFHTHSWWLUSFL-GFCCVEGCSA-N 1 0 380.838 4.170 20 0 GIADRO CCCC[C@@H]([NH2+]CC(=O)Nc1ccc(NC(C)=O)cc1)c1ccc(OC)cc1 ZINC000182150238 822119132 /nfs/dbraw/zinc/11/91/32/822119132.db2.gz RTZWINDGXLNVMB-OAQYLSRUSA-N 1 0 383.492 4.113 20 0 GIADRO COc1cc(C)c([C@H](C)[NH2+][C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)cc1OC ZINC000182155877 822121472 /nfs/dbraw/zinc/12/14/72/822121472.db2.gz PXTIDHMTLPMMOM-WMHILYHISA-N 1 0 377.431 4.471 20 0 GIADRO O=C1Nc2ccccc2C12CCC([NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)CC2 ZINC000182156952 822122543 /nfs/dbraw/zinc/12/25/43/822122543.db2.gz LFSRXUQGZZKQEI-UAPIADLTSA-N 1 0 398.453 4.217 20 0 GIADRO CC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccc(COC3CCOCC3)cc2)cc1 ZINC000182163352 822125334 /nfs/dbraw/zinc/12/53/34/822125334.db2.gz GJFGDDXSFPHECJ-QGZVFWFLSA-N 1 0 382.504 4.191 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)C[NH2+]C(C)(c2ccccc2)c2ccccc2)cc1 ZINC000182198768 822143251 /nfs/dbraw/zinc/14/32/51/822143251.db2.gz PURLGUXGMQGKBP-UHFFFAOYSA-N 1 0 387.483 4.137 20 0 GIADRO CN(C)C(=O)CC1CC[NH+](CCSc2cc(Cl)ccc2Cl)CC1 ZINC000182221711 822154086 /nfs/dbraw/zinc/15/40/86/822154086.db2.gz LSFMOPAJBYAWSZ-UHFFFAOYSA-N 1 0 375.365 4.276 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C2(c3cccc(Cl)c3)CC2)cc1 ZINC000182257956 822172470 /nfs/dbraw/zinc/17/24/70/822172470.db2.gz ASGTUMYSEUEWRF-AWEZNQCLSA-N 1 0 378.925 4.442 20 0 GIADRO COc1ccc(NC(=O)C[C@@H](C)[NH2+]C2(c3cccc(Cl)c3)CC2)c(OC)c1 ZINC000182258274 822173139 /nfs/dbraw/zinc/17/31/39/822173139.db2.gz CUIFKNZRGOGPCG-CQSZACIVSA-N 1 0 388.895 4.353 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N(C)[C@@H](C)c1cc2ccccc2o1)c1ccc2c(c1)OCO2 ZINC000182296487 822191998 /nfs/dbraw/zinc/19/19/98/822191998.db2.gz GSIDEVVGNLYXRL-CABCVRRESA-N 1 0 380.444 4.032 20 0 GIADRO C[C@H]([NH2+]C1(c2cccc(C(F)(F)F)c2)CCC1)c1ccc(-n2cnnn2)cc1 ZINC000182331065 822204602 /nfs/dbraw/zinc/20/46/02/822204602.db2.gz AOBIDYWIQFDQCF-AWEZNQCLSA-N 1 0 387.409 4.411 20 0 GIADRO Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000182358461 822214197 /nfs/dbraw/zinc/21/41/97/822214197.db2.gz MZYRKTRUXVPIMG-VQTJNVASSA-N 1 0 383.561 4.329 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3ccc(F)c(Cl)c3)cc2)CC1 ZINC000182367512 822217093 /nfs/dbraw/zinc/21/70/93/822217093.db2.gz IRVZYKJNZXIXHT-UHFFFAOYSA-N 1 0 375.875 4.262 20 0 GIADRO C[C@@H](NC(=O)NCc1ccccc1OC(F)(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182380144 822222173 /nfs/dbraw/zinc/22/21/73/822222173.db2.gz ZFFCVEYOPAWQDT-GDBMZVCRSA-N 1 0 399.457 4.037 20 0 GIADRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000182384595 822223658 /nfs/dbraw/zinc/22/36/58/822223658.db2.gz CMKOPBFZRLFBPS-NEPJUHHUSA-N 1 0 382.382 4.097 20 0 GIADRO CS(=O)(=O)[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000182418494 822235723 /nfs/dbraw/zinc/23/57/23/822235723.db2.gz GLZHEVVBRPWBPP-QAPCUYQASA-N 1 0 390.530 4.002 20 0 GIADRO Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)c1 ZINC000182449976 822246842 /nfs/dbraw/zinc/24/68/42/822246842.db2.gz VMWJJIMACWUOGH-NUJGCVRESA-N 1 0 395.952 4.038 20 0 GIADRO CC[C@H]([NH2+]C[C@@H](O)COc1ccc(-c2ccccc2)cc1)c1c(C)noc1C ZINC000182453271 822247994 /nfs/dbraw/zinc/24/79/94/822247994.db2.gz MMDVRTIIFPNKLV-IRLDBZIGSA-N 1 0 380.488 4.439 20 0 GIADRO CC[C@@H]([NH2+]C[C@@H](O)COc1ccc(-c2ccccc2)cc1)c1c(C)noc1C ZINC000182453295 822248119 /nfs/dbraw/zinc/24/81/19/822248119.db2.gz MMDVRTIIFPNKLV-IFMALSPDSA-N 1 0 380.488 4.439 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)Nc2cc(F)c(Br)c(F)c2)CC1 ZINC000182474707 822257030 /nfs/dbraw/zinc/25/70/30/822257030.db2.gz VTQSCDIUKOKWMS-UHFFFAOYSA-N 1 0 390.272 4.065 20 0 GIADRO CC(C)(C)[NH+]1CCC(NC(=O)Nc2cc(F)c(Br)c(F)c2)CC1 ZINC000182479848 822258715 /nfs/dbraw/zinc/25/87/15/822258715.db2.gz YDOXROWTIRNDFL-UHFFFAOYSA-N 1 0 390.272 4.112 20 0 GIADRO C[C@H]([NH2+]Cc1ccccc1N1CCOCC1)c1ccccc1OC(F)(F)F ZINC000177963644 822259591 /nfs/dbraw/zinc/25/95/91/822259591.db2.gz VVKSYZBWSQAVMH-HNNXBMFYSA-N 1 0 380.410 4.273 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2cnc(-c3ccncc3)s2)CC1 ZINC000177964504 822260328 /nfs/dbraw/zinc/26/03/28/822260328.db2.gz NGZWGUQMMHXIRS-QGZVFWFLSA-N 1 0 398.576 4.322 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@@H]2CCSc3c(F)cccc32)ccc1S(C)(=O)=O ZINC000177971706 822263480 /nfs/dbraw/zinc/26/34/80/822263480.db2.gz RPAPJPVSKCUOGI-BLLLJJGKSA-N 1 0 395.521 4.126 20 0 GIADRO c1ccc(-c2nnc(C[N@@H+]3CCC[C@@H](c4nc5c(s4)CCCC5)C3)o2)cc1 ZINC000177974738 822265118 /nfs/dbraw/zinc/26/51/18/822265118.db2.gz RRFBDZATPVUNJW-MRXNPFEDSA-N 1 0 380.517 4.452 20 0 GIADRO COc1ccc(OC)c([C@H](C)[NH2+]CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000177975112 822265186 /nfs/dbraw/zinc/26/51/86/822265186.db2.gz HDFMYCKKHCFQLZ-HOTGVXAUSA-N 1 0 378.513 4.002 20 0 GIADRO c1ccc(-c2nnc(C[N@@H+]3CCC[C@H](c4nc5c(s4)CCCC5)C3)o2)cc1 ZINC000177974730 822265226 /nfs/dbraw/zinc/26/52/26/822265226.db2.gz RRFBDZATPVUNJW-INIZCTEOSA-N 1 0 380.517 4.452 20 0 GIADRO CCCOCc1ccccc1CNC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182499673 822269823 /nfs/dbraw/zinc/26/98/23/822269823.db2.gz MCWNXKSLOMKMCB-AZUAARDMSA-N 1 0 387.568 4.065 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)Nc2cc(Br)c(F)cc2Cl)CC[N@@H+]1C ZINC000177992190 822273209 /nfs/dbraw/zinc/27/32/09/822273209.db2.gz CRGVCYYDHFNEEY-VHSXEESVSA-N 1 0 392.700 4.188 20 0 GIADRO Cc1cc(C)c(NC(=O)CCC[N@@H+](C)[C@H](C)CNC(=O)OC(C)(C)C)c(C)c1 ZINC000177994607 822274982 /nfs/dbraw/zinc/27/49/82/822274982.db2.gz CWEOHGPGUHXOMV-GOSISDBHSA-N 1 0 391.556 4.176 20 0 GIADRO COC[C@@H]([NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1)c1ccc(F)c(F)c1 ZINC000182511430 822275701 /nfs/dbraw/zinc/27/57/01/822275701.db2.gz UUGGQWMERLKKIG-OAQYLSRUSA-N 1 0 396.428 4.185 20 0 GIADRO C[C@H]([NH2+]Cc1cc(=O)oc2cc(O)ccc12)c1ccc(OC(F)(F)F)cc1 ZINC000182513686 822276777 /nfs/dbraw/zinc/27/67/77/822276777.db2.gz IGPQYLFTBUSUGV-NSHDSACASA-N 1 0 379.334 4.248 20 0 GIADRO CCCOc1ccc(C(F)(F)F)cc1NC(=O)N1CC[C@H](C[N@H+](C)CC)C1 ZINC000178002252 822277982 /nfs/dbraw/zinc/27/79/82/822277982.db2.gz BNVADPCXDZDCLK-CQSZACIVSA-N 1 0 387.446 4.300 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)C1 ZINC000178003408 822278590 /nfs/dbraw/zinc/27/85/90/822278590.db2.gz BNKUCKNTTBEOPB-INIZCTEOSA-N 1 0 378.948 4.136 20 0 GIADRO COc1cccc(C(=O)NCC[NH2+][C@@H](C)c2sc(-c3ccccc3)nc2C)c1 ZINC000178017426 822283891 /nfs/dbraw/zinc/28/38/91/822283891.db2.gz MNDNIZCYPDXQHR-HNNXBMFYSA-N 1 0 395.528 4.208 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCCO2)c1ccc(N2CCOC2=O)cc1 ZINC000178020345 822285134 /nfs/dbraw/zinc/28/51/34/822285134.db2.gz ZNIDPVACGMAVSD-HOTGVXAUSA-N 1 0 382.460 4.216 20 0 GIADRO CC(=O)c1ccc(NC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)cc1Cl ZINC000182536725 822288892 /nfs/dbraw/zinc/28/88/92/822288892.db2.gz HNKOADNPBICFFC-SFHVURJKSA-N 1 0 377.847 4.106 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+]CC(=O)N[C@@H](c2cccs2)C(C)(C)C)c1 ZINC000182546065 822294742 /nfs/dbraw/zinc/29/47/42/822294742.db2.gz ZTIKQHIMQWKOKE-XOBRGWDASA-N 1 0 387.549 4.261 20 0 GIADRO CC[C@@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)c1ccc(Br)cc1 ZINC000178045062 822297279 /nfs/dbraw/zinc/29/72/79/822297279.db2.gz PDRXHQZJSADKOT-LJQANCHMSA-N 1 0 385.309 4.330 20 0 GIADRO C[C@H]([NH2+]CC(=O)N1C[C@H](C)C[C@@H](C)C1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000182557014 822300927 /nfs/dbraw/zinc/30/09/27/822300927.db2.gz RCBOMRQCAIBBMJ-QRVBRYPASA-N 1 0 393.531 4.094 20 0 GIADRO CCN(CC)C(=O)CCC1CC[NH+](CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000182557986 822301463 /nfs/dbraw/zinc/30/14/63/822301463.db2.gz BWJKNCSAORPDOK-UHFFFAOYSA-N 1 0 393.959 4.029 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(-c2ncco2)cc1 ZINC000182557153 822301485 /nfs/dbraw/zinc/30/14/85/822301485.db2.gz RCMSKRCBNGRRQB-IBGZPJMESA-N 1 0 390.487 4.327 20 0 GIADRO CC[NH+]1CCN(c2ccc(N[C@@H](C)c3ccc([S@](C)=O)cc3)c(C)c2)CC1 ZINC000182565454 822305440 /nfs/dbraw/zinc/30/54/40/822305440.db2.gz MYMKCQMUGZXOAB-MYUZEXMDSA-N 1 0 385.577 4.047 20 0 GIADRO COc1ccccc1CCC[NH+]1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000182582227 822311764 /nfs/dbraw/zinc/31/17/64/822311764.db2.gz JJQFKKATMDNFEN-UHFFFAOYSA-N 1 0 387.911 4.027 20 0 GIADRO CC[C@H]([NH2+]C[C@@H](O)COc1ccc(C(C)=O)cc1OC)c1cccc(Cl)c1 ZINC000182585836 822313222 /nfs/dbraw/zinc/31/32/22/822313222.db2.gz FKMZMUFXNXJEMO-MOPGFXCFSA-N 1 0 391.895 4.032 20 0 GIADRO O=C(Nc1ccc(-c2ncco2)cc1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000182626719 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C[C@@H]1C[N@@H+](CCC2CCN(C(=O)c3cccc4ccccc43)CC2)C[C@H](C)O1 ZINC000178242393 822357861 /nfs/dbraw/zinc/35/78/61/822357861.db2.gz RXVSEDXFHNMXGD-KDURUIRLSA-N 1 0 380.532 4.191 20 0 GIADRO CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC000178245349 822358044 /nfs/dbraw/zinc/35/80/44/822358044.db2.gz NDWGTUFKUAROOC-CLYVBNDRSA-N 1 0 390.593 4.327 20 0 GIADRO Cn1ccnc1[C@@H]1C[C@H]([NH2+][C@H]2CCCc3ccc(Br)cc32)CCO1 ZINC000453408358 822358584 /nfs/dbraw/zinc/35/85/84/822358584.db2.gz VNIYDLNTBKZCHF-NJAFHUGGSA-N 1 0 390.325 4.070 20 0 GIADRO C[C@@H]1CCC[C@@H](C)C1[NH2+]CC(=O)Nc1c(F)cc(F)cc1Br ZINC000182729022 822358675 /nfs/dbraw/zinc/35/86/75/822358675.db2.gz LNMOVOLLPVEWJX-NXEZZACHSA-N 1 0 375.257 4.080 20 0 GIADRO Cn1ccnc1[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3ccc(Br)cc32)CCO1 ZINC000453408357 822358688 /nfs/dbraw/zinc/35/86/88/822358688.db2.gz VNIYDLNTBKZCHF-JQHSSLGASA-N 1 0 390.325 4.070 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+][C@H]1CCCN(c2ccccc2)C1=O ZINC000178251886 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390.549 4.138 20 0 GIADRO C[C@H](NC1CC[NH+](CC2CC2)CC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000178257090 822359894 /nfs/dbraw/zinc/35/98/94/822359894.db2.gz HIXGDMVMMPLSPT-LBPRGKRZSA-N 1 0 390.421 4.414 20 0 GIADRO Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@H](C)CCc1ccc(C(F)(F)F)cc1 ZINC000453416070 822359990 /nfs/dbraw/zinc/35/99/90/822359990.db2.gz BVYVOCVPGAKWSB-HIFRSBDPSA-N 1 0 379.426 4.347 20 0 GIADRO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)CCc3ccc(Cl)cc3)CC2)C[C@H](C)O1 ZINC000178261499 822360238 /nfs/dbraw/zinc/36/02/38/822360238.db2.gz LJBNEZDOZOFDML-HDICACEKSA-N 1 0 392.971 4.011 20 0 GIADRO C[C@@H]([NH3+])c1ccc(NC(=O)[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)cc1 ZINC000178262907 822360475 /nfs/dbraw/zinc/36/04/75/822360475.db2.gz YEUFMLSTYWPQQR-YPMHNXCESA-N 1 0 392.286 4.005 20 0 GIADRO COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@@H](C)c1sc(C)nc1C ZINC000178265359 822360896 /nfs/dbraw/zinc/36/08/96/822360896.db2.gz XRWHRIXXRZQQQW-NSHDSACASA-N 1 0 381.929 4.410 20 0 GIADRO Cc1cc(Cl)c2c(c1)[C@H]([NH2+]C1CCN(CC(F)(F)F)CC1)CCCO2 ZINC000178275624 822362101 /nfs/dbraw/zinc/36/21/01/822362101.db2.gz GGQRLHSZYVDFHV-MRXNPFEDSA-N 1 0 376.850 4.478 20 0 GIADRO COc1ccc([C@H](C)NC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)cc1F ZINC000045102963 822363279 /nfs/dbraw/zinc/36/32/79/822363279.db2.gz ULUONZXMIMQGGX-KRWDZBQOSA-N 1 0 391.531 4.193 20 0 GIADRO CCOc1ccccc1NC(=O)[C@H]([NH2+]CC[C@@H]1CCCCO1)c1ccccc1 ZINC000182759355 822363324 /nfs/dbraw/zinc/36/33/24/822363324.db2.gz HSIMXJDINYAQPU-SIKLNZKXSA-N 1 0 382.504 4.314 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)c1cccc(N2CCCS2(=O)=O)c1)c1ccc(OC)cc1 ZINC000178290638 822364115 /nfs/dbraw/zinc/36/41/15/822364115.db2.gz OYSWQYGXYXJGKY-KKSFZXQISA-N 1 0 388.533 4.037 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H](C)c1cc(OC)ccc1OC ZINC000045132346 822364890 /nfs/dbraw/zinc/36/48/90/822364890.db2.gz KMRSYKZGUOHAOZ-QGZVFWFLSA-N 1 0 399.535 4.106 20 0 GIADRO CC[C@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1cccc(Br)c1 ZINC000178301389 822365047 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20 0 GIADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)c2ccc(C)s2)cc1 ZINC000178339636 822368801 /nfs/dbraw/zinc/36/88/01/822368801.db2.gz DUNTWPTYLHFWQN-JKSUJKDBSA-N 1 0 380.579 4.499 20 0 GIADRO CCOc1cc(NC(=O)NCc2ccccc2C[NH+]2CCCCC2)ccc1OC ZINC000045193009 822369447 /nfs/dbraw/zinc/36/94/47/822369447.db2.gz ZDJVTITUUXYZLL-UHFFFAOYSA-N 1 0 397.519 4.402 20 0 GIADRO COc1ccc(OC)c([C@@H](C)[NH2+][C@H](C)c2ccc(OC)c(Cn3cccn3)c2)c1 ZINC000178357431 822370911 /nfs/dbraw/zinc/37/09/11/822370911.db2.gz OLPWVPCZRNCWEP-IAGOWNOFSA-N 1 0 395.503 4.369 20 0 GIADRO CCC[C@H]1CN(c2nnc([C@@H]3CC[C@H](C)O3)n2CC)CC[N@@H+]1Cc1ccccc1 ZINC000453469956 822371518 /nfs/dbraw/zinc/37/15/18/822371518.db2.gz WVSMPISSMGJSAC-JBACZVJFSA-N 1 0 397.567 4.029 20 0 GIADRO COc1ccc(CC[N@H+](CCc2ccncc2)Cc2ccsc2)cc1OC ZINC000178371150 822372133 /nfs/dbraw/zinc/37/21/33/822372133.db2.gz QVWQYCGATTYWPZ-UHFFFAOYSA-N 1 0 382.529 4.448 20 0 GIADRO COc1cc(C[NH2+][C@H](C)c2ccc(F)cc2OC(F)F)cc(OC)c1OC ZINC000178379203 822373161 /nfs/dbraw/zinc/37/31/61/822373161.db2.gz XZLDMXMCUJCONG-LLVKDONJSA-N 1 0 385.382 4.304 20 0 GIADRO Cc1cc(N2CCCC2)ccc1NC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182828697 822374228 /nfs/dbraw/zinc/37/42/28/822374228.db2.gz WWISBSNGMBVQOQ-RTBURBONSA-N 1 0 384.568 4.370 20 0 GIADRO CC[NH2+]Cc1cccc(NC(=O)Cc2ccc(OCc3c(C)noc3C)cc2)c1 ZINC000178404281 822375841 /nfs/dbraw/zinc/37/58/41/822375841.db2.gz QYJLVVUEEWQQGL-UHFFFAOYSA-N 1 0 393.487 4.161 20 0 GIADRO C[C@@H]([NH2+]CCc1ccc(Br)cc1)c1ccc(N2CCOC2=O)cc1 ZINC000178424654 822378065 /nfs/dbraw/zinc/37/80/65/822378065.db2.gz NMZGBIFIAKBFPC-CQSZACIVSA-N 1 0 389.293 4.299 20 0 GIADRO C[C@H](NC(=O)N(C)Cc1ccc(F)cc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182850060 822378379 /nfs/dbraw/zinc/37/83/79/822378379.db2.gz IMFXPWKMOADCHG-GJZGRUSLSA-N 1 0 381.923 4.274 20 0 GIADRO C[C@@H](NC(=O)N(C)Cc1ccccc1C(F)(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182849603 822378495 /nfs/dbraw/zinc/37/84/95/822378495.db2.gz MSBGOZMJZDPNMC-HZPDHXFCSA-N 1 0 397.485 4.500 20 0 GIADRO O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000178432374 822378590 /nfs/dbraw/zinc/37/85/90/822378590.db2.gz JGDISQFFOQGFOS-LPHOPBHVSA-N 1 0 397.519 4.209 20 0 GIADRO COc1cc([C@H](C)[NH2+]Cc2ccc(N3CCCC3=O)cc2)ccc1OC(F)F ZINC000178444715 822379590 /nfs/dbraw/zinc/37/95/90/822379590.db2.gz FJWFXTWWXUKKDV-AWEZNQCLSA-N 1 0 390.430 4.274 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Nc1c(F)cc(Cl)cc1F ZINC000182863397 822381414 /nfs/dbraw/zinc/38/14/14/822381414.db2.gz MVDCVVXRNLRHQH-UHFFFAOYSA-N 1 0 394.853 4.322 20 0 GIADRO C[C@H](c1cccc(Br)c1)[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000178466652 822381912 /nfs/dbraw/zinc/38/19/12/822381912.db2.gz LYURKBWCNLTLPZ-ZBFHGGJFSA-N 1 0 385.309 4.432 20 0 GIADRO CCCCSc1ccc(Cl)cc1C(=O)N1CC[C@@H](CN2CCOCC2)C1 ZINC000182869043 822382550 /nfs/dbraw/zinc/38/25/50/822382550.db2.gz LZOOZRRIIZXZNU-INIZCTEOSA-N 1 0 396.984 4.027 20 0 GIADRO CCOc1ccc2c(c1)[C@@H]([NH2+]Cc1cc(Cl)c(OC)c(OC)c1)CCO2 ZINC000178471335 822382580 /nfs/dbraw/zinc/38/25/80/822382580.db2.gz OBKJIZIKWWVKFC-KRWDZBQOSA-N 1 0 377.868 4.369 20 0 GIADRO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CCc1cscn1 ZINC000178470647 822382640 /nfs/dbraw/zinc/38/26/40/822382640.db2.gz RWFYBJNINHHBQG-SNVBAGLBSA-N 1 0 391.846 4.365 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)N1C[C@@H](C)C[C@@H]1c1cccnc1 ZINC000182871673 822383289 /nfs/dbraw/zinc/38/32/89/822383289.db2.gz UIXDQXOXHGMHAA-PGRDOPGGSA-N 1 0 380.536 4.216 20 0 GIADRO c1cn2c(cccc2C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)n1 ZINC000178491270 822384917 /nfs/dbraw/zinc/38/49/17/822384917.db2.gz GRGDXNILAQWBLN-UHFFFAOYSA-N 1 0 379.467 4.477 20 0 GIADRO CC(=O)N1CC[C@@H]([NH2+]Cc2sc(C)cc2Br)c2ccccc21 ZINC000453563846 822385121 /nfs/dbraw/zinc/38/51/21/822385121.db2.gz FXKIJGZBHIEHAT-OAHLLOKOSA-N 1 0 379.323 4.407 20 0 GIADRO C[C@H](NC(=O)N(Cc1ccc(F)cc1F)C1CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182882793 822385436 /nfs/dbraw/zinc/38/54/36/822385436.db2.gz LDRYODGOACECEM-JKSUJKDBSA-N 1 0 391.506 4.292 20 0 GIADRO C[C@@H](NC(=O)N(Cc1ccc(F)cc1F)C1CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182882857 822385476 /nfs/dbraw/zinc/38/54/76/822385476.db2.gz LDRYODGOACECEM-CVEARBPZSA-N 1 0 391.506 4.292 20 0 GIADRO O=C(N[C@H](c1cccs1)c1ccc(Cl)cc1)NC1CC[NH+](C2CC2)CC1 ZINC000045409763 822385598 /nfs/dbraw/zinc/38/55/98/822385598.db2.gz YOUKHBOYJMLZSX-IBGZPJMESA-N 1 0 389.952 4.417 20 0 GIADRO CC(C)c1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)cc1 ZINC000453570123 822385910 /nfs/dbraw/zinc/38/59/10/822385910.db2.gz CUYXRWOMOREAKF-OPAMFIHVSA-N 1 0 393.531 4.175 20 0 GIADRO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1ccc(Br)cc1F ZINC000045416065 822386304 /nfs/dbraw/zinc/38/63/04/822386304.db2.gz FEKVQLACKZEBBD-ZDUSSCGKSA-N 1 0 389.272 4.362 20 0 GIADRO COc1ccc(NC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c2cccnc12 ZINC000182889297 822386809 /nfs/dbraw/zinc/38/68/09/822386809.db2.gz QJNMEGIOISTVLS-HOTGVXAUSA-N 1 0 382.508 4.018 20 0 GIADRO CCOC(=O)Nc1ccc(NC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000182892502 822387407 /nfs/dbraw/zinc/38/74/07/822387407.db2.gz QUHZWFTUDOFSBL-HOTGVXAUSA-N 1 0 388.512 4.030 20 0 GIADRO CCOC(=O)Nc1ccc(NC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000182892462 822387513 /nfs/dbraw/zinc/38/75/13/822387513.db2.gz QUHZWFTUDOFSBL-JKSUJKDBSA-N 1 0 388.512 4.030 20 0 GIADRO CCOc1cc(C[NH2+]C[C@H]2CCOC(C)(C)C2)cc(Br)c1OC ZINC000453581192 822387885 /nfs/dbraw/zinc/38/78/85/822387885.db2.gz LZQWYQYVSZOFGD-ZDUSSCGKSA-N 1 0 386.330 4.151 20 0 GIADRO C[C@@H]([NH2+]CCCc1nnc2n1CCCCC2)[C@H](C)c1nc2ccccc2s1 ZINC000178526343 822388118 /nfs/dbraw/zinc/38/81/18/822388118.db2.gz XCNNTZNCQYFNFQ-JKSUJKDBSA-N 1 0 383.565 4.329 20 0 GIADRO COc1cc(C[NH2+]C[C@H]2CCOC(C)(C)C2)ccc1OCc1c(C)noc1C ZINC000453583093 822388182 /nfs/dbraw/zinc/38/81/82/822388182.db2.gz OKNYEZJIVRLIHU-SFHVURJKSA-N 1 0 388.508 4.174 20 0 GIADRO C[C@H]([NH2+]CCCc1nnc2n1CCCCC2)c1nc(-c2ccccc2)cs1 ZINC000178528535 822388250 /nfs/dbraw/zinc/38/82/50/822388250.db2.gz ALRDGWJHBKRKQU-INIZCTEOSA-N 1 0 381.549 4.411 20 0 GIADRO COc1ccc(C(=O)Nc2cccc(C[NH2+]C[C@H]3CCOC(C)(C)C3)c2)cc1 ZINC000453583685 822388406 /nfs/dbraw/zinc/38/84/06/822388406.db2.gz PDAFRLUJSQLLES-SFHVURJKSA-N 1 0 382.504 4.242 20 0 GIADRO CC(C)C[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000045462707 822388740 /nfs/dbraw/zinc/38/87/40/822388740.db2.gz LASBTVFKBOMHIW-AWEZNQCLSA-N 1 0 387.446 4.066 20 0 GIADRO Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000178536576 822389208 /nfs/dbraw/zinc/38/92/08/822389208.db2.gz NIUHGDQJUHLUFL-WBVHZDCISA-N 1 0 389.952 4.328 20 0 GIADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+][C@H](C)Cc1cc(F)cc(OC)c1 ZINC000453593516 822390126 /nfs/dbraw/zinc/39/01/26/822390126.db2.gz JSDPLNNLXMQGFE-CYBMUJFWSA-N 1 0 399.915 4.002 20 0 GIADRO Cc1ccc(OC2CCN(C(=O)N[C@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)CC2)cc1 ZINC000182905884 822390233 /nfs/dbraw/zinc/39/02/33/822390233.db2.gz UIRZHKOKFBLBCI-UXHICEINSA-N 1 0 399.579 4.201 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(C(F)(F)F)nc1Cl)c1ccco1 ZINC000178549222 822390816 /nfs/dbraw/zinc/39/08/16/822390816.db2.gz GSSDETXTWWOUEQ-GFCCVEGCSA-N 1 0 389.805 4.160 20 0 GIADRO Cc1nn(-c2cc[nH+]cc2)cc1CN1CCC[C@@H]1c1ccc(Br)cn1 ZINC000453608369 822392393 /nfs/dbraw/zinc/39/23/93/822392393.db2.gz GVWIFPQZRTXTSJ-LJQANCHMSA-N 1 0 398.308 4.070 20 0 GIADRO C[C@@H](NC(=O)Nc1ccccc1OCC(F)(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182918871 822392464 /nfs/dbraw/zinc/39/24/64/822392464.db2.gz IGGUFHIPZOWPQM-HUUCEWRRSA-N 1 0 399.457 4.402 20 0 GIADRO Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@@H](C)COc1ccc(Cl)c(Cl)c1 ZINC000453611177 822392865 /nfs/dbraw/zinc/39/28/65/822392865.db2.gz LMHMOBXHVZWQQV-AAEUAGOBSA-N 1 0 382.291 4.081 20 0 GIADRO [NH2+]=C(NCCCCSc1ccccc1Br)Nc1ccccn1 ZINC000178572707 822392962 /nfs/dbraw/zinc/39/29/62/822392962.db2.gz RWADAYRJUQVXLD-UHFFFAOYSA-N 1 0 379.327 4.143 20 0 GIADRO COCC[N@H+](C/C(C)=C\c1ccccc1OC(F)F)Cc1c(C)nn(C)c1C ZINC000453614514 822393420 /nfs/dbraw/zinc/39/34/20/822393420.db2.gz ODLGGMKVUWVFIZ-QINSGFPZSA-N 1 0 393.478 4.190 20 0 GIADRO COc1cc(C[NH2+][C@@H](C(C)C)C2(CO)CCCC2)ccc1OCc1ccncc1 ZINC000453615354 822393608 /nfs/dbraw/zinc/39/36/08/822393608.db2.gz NEWLCJHBAIOQDJ-QHCPKHFHSA-N 1 0 398.547 4.336 20 0 GIADRO C[C@H](NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C)c1ccc(OC(F)F)cc1 ZINC000045541628 822394721 /nfs/dbraw/zinc/39/47/21/822394721.db2.gz GYKDAZFFPNKDCG-LRDDRELGSA-N 1 0 383.464 4.013 20 0 GIADRO COc1ccc(OC(F)F)c(NC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000182933566 822395317 /nfs/dbraw/zinc/39/53/17/822395317.db2.gz WHNSNYFYWIWGHO-UONOGXRCSA-N 1 0 397.466 4.071 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)Nc2nnc(CC(C)C)s2)CC1 ZINC000182935442 822395762 /nfs/dbraw/zinc/39/57/62/822395762.db2.gz FJCFOGBHESZBKK-UHFFFAOYSA-N 1 0 381.590 4.103 20 0 GIADRO O=C(Nc1cccc(C[NH2+][C@@H]2CCSc3c(F)cccc32)c1)[C@@H]1CCCO1 ZINC000178614969 822396279 /nfs/dbraw/zinc/39/62/79/822396279.db2.gz XCAWUBYLURIGJS-MOPGFXCFSA-N 1 0 386.492 4.270 20 0 GIADRO CC(C)C(=O)Nc1cccc(NC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000182947968 822398093 /nfs/dbraw/zinc/39/80/93/822398093.db2.gz YTAFBRYEKFWJDN-IRXDYDNUSA-N 1 0 386.540 4.056 20 0 GIADRO Cc1cc(C)cc([C@@H](C)[NH2+]CC(=O)N[C@@H](c2nccs2)c2ccccc2)c1 ZINC000182949880 822398452 /nfs/dbraw/zinc/39/84/52/822398452.db2.gz FJOASZLRHYEXDB-DYESRHJHSA-N 1 0 379.529 4.316 20 0 GIADRO C[C@H](NC(=O)NC1(c2cccc(Cl)c2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182950062 822398548 /nfs/dbraw/zinc/39/85/48/822398548.db2.gz DIOQALTVRANOMY-HOTGVXAUSA-N 1 0 375.944 4.281 20 0 GIADRO CC[C@H]([NH2+]CCSCCOc1cccc(Br)c1)c1nccn1C ZINC000182952909 822398932 /nfs/dbraw/zinc/39/89/32/822398932.db2.gz AVKVMWAVHHKQQC-INIZCTEOSA-N 1 0 398.370 4.036 20 0 GIADRO COc1ccc([C@H](C)[NH2+]C[C@H](CCO)c2ccccc2)cc1Br ZINC000178643740 822399128 /nfs/dbraw/zinc/39/91/28/822399128.db2.gz VJLGEIIBZJOIHL-YOEHRIQHSA-N 1 0 378.310 4.275 20 0 GIADRO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@H](CCO)c1ccccc1 ZINC000178646869 822399294 /nfs/dbraw/zinc/39/92/94/822399294.db2.gz GAFKBXZAKQKRLH-RDJZCZTQSA-N 1 0 394.437 4.178 20 0 GIADRO Cc1c([C@H](C)[NH2+]C[C@H](CCO)c2ccccc2)nnn1-c1ccc(Cl)cc1 ZINC000178651365 822399498 /nfs/dbraw/zinc/39/94/98/822399498.db2.gz SBKTVLQXQDDWKW-YJBOKZPZSA-N 1 0 384.911 4.046 20 0 GIADRO C[C@H](CNC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)c1nccs1 ZINC000182959600 822400079 /nfs/dbraw/zinc/40/00/79/822400079.db2.gz UJNWSFICSQMLLK-SJORKVTESA-N 1 0 386.565 4.120 20 0 GIADRO O=C1Nc2ccccc2C12CCC([NH2+]Cc1coc(-c3cccs3)n1)CC2 ZINC000178661125 822400490 /nfs/dbraw/zinc/40/04/90/822400490.db2.gz RVWDGYOBRDVXMQ-UHFFFAOYSA-N 1 0 379.485 4.325 20 0 GIADRO CCCCc1ccc(NC(=O)C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)cc1 ZINC000453692676 822401010 /nfs/dbraw/zinc/40/10/10/822401010.db2.gz LSMQDXCNRPFQIG-NRFANRHFSA-N 1 0 379.504 4.155 20 0 GIADRO CC[C@H]([NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1nccn1C ZINC000182966446 822401140 /nfs/dbraw/zinc/40/11/40/822401140.db2.gz GRAAVXKVYNUELR-SFHVURJKSA-N 1 0 381.351 4.432 20 0 GIADRO CSc1ccc(Cl)c(C(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)c1 ZINC000178673384 822401559 /nfs/dbraw/zinc/40/15/59/822401559.db2.gz DATLYLIWWZWIIC-AWEZNQCLSA-N 1 0 389.952 4.412 20 0 GIADRO CN(Cc1ccccc1C(F)(F)F)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000045658152 822403202 /nfs/dbraw/zinc/40/32/02/822403202.db2.gz QXHXYAJMOMFMQS-INIZCTEOSA-N 1 0 385.455 4.211 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1cccc(N)c1)c1ccc(C(F)(F)F)cc1 ZINC000178734291 822406329 /nfs/dbraw/zinc/40/63/29/822406329.db2.gz UJGRVLLPCSQDLU-SFHVURJKSA-N 1 0 379.426 4.101 20 0 GIADRO CCOc1ccc(C(=O)N2CCC([NH2+]C/C=C/c3ccc(F)cc3)CC2)cc1 ZINC000178737675 822406356 /nfs/dbraw/zinc/40/63/56/822406356.db2.gz KFGAFGITQZOEKP-ONEGZZNKSA-N 1 0 382.479 4.132 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(-n2cncn2)cc1)c1ccc(F)c(Br)c1 ZINC000178741982 822406521 /nfs/dbraw/zinc/40/65/21/822406521.db2.gz SJFCJWUUYRELDS-GFCCVEGCSA-N 1 0 375.245 4.020 20 0 GIADRO C[C@H](CNC(=S)Nc1ccc(OC(F)F)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000045712259 822407096 /nfs/dbraw/zinc/40/70/96/822407096.db2.gz HZVHPIXDRXGVFT-CQSZACIVSA-N 1 0 391.487 4.021 20 0 GIADRO Cc1ccc(SCCNC(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc1 ZINC000178761930 822407887 /nfs/dbraw/zinc/40/78/87/822407887.db2.gz BLGMAKHXKDBWEZ-SFHVURJKSA-N 1 0 398.576 4.007 20 0 GIADRO Cc1ccc(Oc2ccc(Cl)cc2NC(=O)C[N@H+](C)C[C@@H]2CCOC2)cc1 ZINC000178764639 822408107 /nfs/dbraw/zinc/40/81/07/822408107.db2.gz UJTJYCKDSZZEPQ-INIZCTEOSA-N 1 0 388.895 4.348 20 0 GIADRO CSc1ccc([C@H](C)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)cc1F ZINC000183006058 822410090 /nfs/dbraw/zinc/41/00/90/822410090.db2.gz VCZKSYSPQBQDJD-IFXJQAMLSA-N 1 0 387.524 4.170 20 0 GIADRO Cc1ccc(NC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)c(C)c1O ZINC000178793481 822410269 /nfs/dbraw/zinc/41/02/69/822410269.db2.gz PHGDKQGXEFDWJX-FQEVSTJZSA-N 1 0 392.421 4.402 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@@H](C)c2cccc(C3CC3)c2)c1 ZINC000453779108 822410479 /nfs/dbraw/zinc/41/04/79/822410479.db2.gz ZTGICQMZDRZJHQ-KRWDZBQOSA-N 1 0 393.531 4.222 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)N2C[C@@H](C)C[C@H]2c2cccnc2)CC1 ZINC000183009482 822410580 /nfs/dbraw/zinc/41/05/80/822410580.db2.gz CRWLFDCEVFYVKK-MBSDFSHPSA-N 1 0 392.547 4.147 20 0 GIADRO CC(C)c1ccc(CN(C)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000045754524 822410596 /nfs/dbraw/zinc/41/05/96/822410596.db2.gz ODLINTQLAJMAMB-UHFFFAOYSA-N 1 0 380.536 4.011 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000045757004 822410846 /nfs/dbraw/zinc/41/08/46/822410846.db2.gz JCAVXSSPRKCZHF-UHFFFAOYSA-N 1 0 377.532 4.334 20 0 GIADRO CC(=O)Nc1cc(NC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)ccc1C ZINC000045757135 822410852 /nfs/dbraw/zinc/41/08/52/822410852.db2.gz OQOUIUOGIPVSHR-UHFFFAOYSA-N 1 0 394.519 4.048 20 0 GIADRO COc1ccc(C)cc1NC(=O)[C@H]([NH2+]CCCc1ccccn1)c1ccccc1 ZINC000178799333 822411337 /nfs/dbraw/zinc/41/13/37/822411337.db2.gz IYAOODFZCSHOSK-HSZRJFAPSA-N 1 0 389.499 4.301 20 0 GIADRO CC[C@@H]([NH2+]Cc1sc2ccccc2c1Cl)c1cccc(S(N)(=O)=O)c1 ZINC000183014693 822411746 /nfs/dbraw/zinc/41/17/46/822411746.db2.gz OSLAPMBONWYJGO-OAHLLOKOSA-N 1 0 394.949 4.443 20 0 GIADRO C[C@@H]([NH3+])C1CCN(C(=O)c2sc(-c3ccco3)nc2-c2ccccc2)CC1 ZINC000178802241 822411699 /nfs/dbraw/zinc/41/16/99/822411699.db2.gz RGTKGEQZADAULT-CQSZACIVSA-N 1 0 381.501 4.270 20 0 GIADRO CC[C@H]([NH2+]C1c2ccccc2-c2ccccc21)c1cccc(S(N)(=O)=O)c1 ZINC000183020382 822412336 /nfs/dbraw/zinc/41/23/36/822412336.db2.gz PTZYHLOVHISQSH-NRFANRHFSA-N 1 0 378.497 4.145 20 0 GIADRO COc1ccc(CN(C)C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)cc1 ZINC000045776924 822412388 /nfs/dbraw/zinc/41/23/88/822412388.db2.gz ZGCVYSKMDOMPGY-UHFFFAOYSA-N 1 0 395.547 4.269 20 0 GIADRO CC1CC[NH+](Cc2ccccc2CNC(=O)N2CCC[C@H]2c2ccncc2)CC1 ZINC000045776662 822412422 /nfs/dbraw/zinc/41/24/22/822412422.db2.gz HVYZNWKSNPZSOD-QHCPKHFHSA-N 1 0 392.547 4.360 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCc3ccc(O)cc3C2)cc1 ZINC000045780154 822412855 /nfs/dbraw/zinc/41/28/55/822412855.db2.gz LVCDIAVHLOSAII-GOSISDBHSA-N 1 0 393.531 4.035 20 0 GIADRO Cc1cc([C@@H]2CCCN2C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)no1 ZINC000045780648 822413091 /nfs/dbraw/zinc/41/30/91/822413091.db2.gz SWOLIZAMOHUIAH-JTSKRJEESA-N 1 0 396.535 4.404 20 0 GIADRO Cc1cc([C@@H]2CCCN2C(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)no1 ZINC000045789288 822413971 /nfs/dbraw/zinc/41/39/71/822413971.db2.gz AWEPZPPMAMWCRE-JTSKRJEESA-N 1 0 396.535 4.262 20 0 GIADRO COc1ccc(CN(C)C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000045789460 822414015 /nfs/dbraw/zinc/41/40/15/822414015.db2.gz FXFXPHKIXWMUEH-LJQANCHMSA-N 1 0 395.547 4.269 20 0 GIADRO COc1ccc(CN(C)C(=O)NCc2ccccc2C[N@H+](C)C(C)C)cc1F ZINC000045789747 822414027 /nfs/dbraw/zinc/41/40/27/822414027.db2.gz RLLXVBXAMCDOMY-UHFFFAOYSA-N 1 0 387.499 4.016 20 0 GIADRO C[C@H]([NH3+])C1CCN(C(=O)[C@@H](Oc2ccc(F)cc2Cl)c2ccccc2)CC1 ZINC000178825189 822414395 /nfs/dbraw/zinc/41/43/95/822414395.db2.gz XGYKGRSBVSLAPH-XOBRGWDASA-N 1 0 390.886 4.185 20 0 GIADRO C[C@@H]([NH3+])C1CCN(C(=O)[C@@H](Sc2cc(F)ccc2F)c2ccccc2)CC1 ZINC000178827741 822414522 /nfs/dbraw/zinc/41/45/22/822414522.db2.gz IKJILOFUYNRGOS-VLIAUNLRSA-N 1 0 390.499 4.384 20 0 GIADRO CCN(C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(NC(=O)C2CC2)cc1)c1ccccc1 ZINC000045812586 822415398 /nfs/dbraw/zinc/41/53/98/822415398.db2.gz LLAFTBHRSJLOGO-IAGOWNOFSA-N 1 0 379.504 4.127 20 0 GIADRO O=C(CCc1nc2ccccc2[nH]1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000045819162 822416433 /nfs/dbraw/zinc/41/64/33/822416433.db2.gz UHNMCKVHRZQAST-FQEVSTJZSA-N 1 0 396.922 4.102 20 0 GIADRO CCOC(=O)CC[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000178854177 822416690 /nfs/dbraw/zinc/41/66/90/822416690.db2.gz HCTVRWZWUAAVIB-IBGZPJMESA-N 1 0 382.504 4.216 20 0 GIADRO CCCCOc1ccc([C@H](C)[NH2+]Cc2cnc3nc(C)cc(C)n23)cc1OC ZINC000178877552 822418337 /nfs/dbraw/zinc/41/83/37/822418337.db2.gz DEBGHSBKPQVYHB-KRWDZBQOSA-N 1 0 382.508 4.384 20 0 GIADRO C[C@H](CC[NH2+][C@@H]1CCCC[C@@H]1S(C)(=O)=O)c1cccc(C(F)(F)F)c1 ZINC000183060726 822418694 /nfs/dbraw/zinc/41/86/94/822418694.db2.gz VVFPHKSZSIFMQX-XYPHTWIQSA-N 1 0 377.472 4.144 20 0 GIADRO COC(=O)c1ccc(C[NH2+][C@H](C)c2ccc(OC(F)(F)F)cc2)cc1OC ZINC000178885538 822419003 /nfs/dbraw/zinc/41/90/03/822419003.db2.gz UKCYJSZHEMWBRM-GFCCVEGCSA-N 1 0 383.366 4.231 20 0 GIADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCC[C@H]2c2cccc(F)c2)CC1 ZINC000178887251 822419186 /nfs/dbraw/zinc/41/91/86/822419186.db2.gz NCHGTHQIMMVZRO-JTSKRJEESA-N 1 0 396.510 4.293 20 0 GIADRO Cn1c(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)nc2cc(Cl)ccc21 ZINC000178890338 822419449 /nfs/dbraw/zinc/41/94/49/822419449.db2.gz AEWPXCZJGAHRDF-OAQYLSRUSA-N 1 0 383.879 4.239 20 0 GIADRO CCc1nc(CN2CCC(CNC(=O)[C@@H]3CCCC(C)(C)C3)CC2)cs1 ZINC000178905619 822420686 /nfs/dbraw/zinc/42/06/86/822420686.db2.gz QZXAFQFINWQEAH-QGZVFWFLSA-N 1 0 377.598 4.250 20 0 GIADRO CC1=NN(c2ccc(C(=O)NCc3ccccc3C[NH+]3CCCCC3)cc2)CC1 ZINC000045876098 822420991 /nfs/dbraw/zinc/42/09/91/822420991.db2.gz ZADIEWMRZNPUJF-UHFFFAOYSA-N 1 0 390.531 4.189 20 0 GIADRO OCC1CC[NH+](Cc2cccc(N[C@@H]3CCCOc4ccc(F)cc43)c2)CC1 ZINC000183077094 822421425 /nfs/dbraw/zinc/42/14/25/822421425.db2.gz HEGQHZKFLMEKOW-JOCHJYFZSA-N 1 0 384.495 4.356 20 0 GIADRO C[C@H](CSCc1ccccc1)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000178915381 822421495 /nfs/dbraw/zinc/42/14/95/822421495.db2.gz PGHYVFFVSHEDRK-LJQANCHMSA-N 1 0 397.588 4.337 20 0 GIADRO O=C(CC1CCC(C(F)(F)F)CC1)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000183077924 822421572 /nfs/dbraw/zinc/42/15/72/822421572.db2.gz PMSZWIPDUMQVCP-GPJFCIFZSA-N 1 0 396.497 4.426 20 0 GIADRO O=C(CC1CCC(C(F)(F)F)CC1)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000183077903 822421617 /nfs/dbraw/zinc/42/16/17/822421617.db2.gz PMSZWIPDUMQVCP-IOJLRTSASA-N 1 0 396.497 4.426 20 0 GIADRO C[C@@H](C(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000183083301 822422489 /nfs/dbraw/zinc/42/24/89/822422489.db2.gz MILFDCRXVGIQSL-QGZVFWFLSA-N 1 0 386.923 4.103 20 0 GIADRO COc1cc([C@@H](C)[NH2+]Cc2ccc(CO)cc2)ccc1OCc1ccncc1 ZINC000183100063 822424532 /nfs/dbraw/zinc/42/45/32/822424532.db2.gz BWNUFAORJRULJJ-QGZVFWFLSA-N 1 0 378.472 4.012 20 0 GIADRO Cc1nn(-c2ccccc2)cc1C[NH2+]Cc1ccccc1OCc1cccnc1 ZINC000183105767 822425173 /nfs/dbraw/zinc/42/51/73/822425173.db2.gz UFPRAQZKDSXSOQ-UHFFFAOYSA-N 1 0 384.483 4.445 20 0 GIADRO C[NH2+]C[C@H]1CCN(C(=O)c2oc3ccccc3c2CSc2cccs2)C1 ZINC000178982526 822426290 /nfs/dbraw/zinc/42/62/90/822426290.db2.gz ASOCAFQZFVPZEM-CQSZACIVSA-N 1 0 386.542 4.468 20 0 GIADRO C[NH2+]C[C@H]1CCN(C(=O)c2ccccc2OCc2ccc(Cl)cc2Cl)C1 ZINC000178986637 822426725 /nfs/dbraw/zinc/42/67/25/822426725.db2.gz BPJJVEMHAVQIBJ-CQSZACIVSA-N 1 0 393.314 4.254 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cnc2ccc(F)cc2c1 ZINC000178994897 822427506 /nfs/dbraw/zinc/42/75/06/822427506.db2.gz PBJHWXHUMXBXIG-IBGZPJMESA-N 1 0 391.490 4.358 20 0 GIADRO COc1cc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)ccc1OCc1ccncc1 ZINC000179002063 822428458 /nfs/dbraw/zinc/42/84/58/822428458.db2.gz DXVISAAFQPSIID-PTUXOGIPSA-N 1 0 394.515 4.107 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1CCC[C@H]1c1ccc(F)cc1 ZINC000045977119 822428536 /nfs/dbraw/zinc/42/85/36/822428536.db2.gz IZUJTNUFKPOXDG-QFIPXVFZSA-N 1 0 381.495 4.468 20 0 GIADRO CC(C)CNC(=O)c1cccc(C[NH2+][C@@H](C)c2ccccc2-n2cccn2)c1 ZINC000183140175 822429835 /nfs/dbraw/zinc/42/98/35/822429835.db2.gz YWFSFSSOTZRERD-SFHVURJKSA-N 1 0 376.504 4.109 20 0 GIADRO CC(C)Oc1cccc([C@H](C)NC(=O)Nc2ccccc2N2CC[NH+](C)CC2)c1 ZINC000045983936 822429971 /nfs/dbraw/zinc/42/99/71/822429971.db2.gz NQSUMFMRCDPXRC-SFHVURJKSA-N 1 0 396.535 4.108 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)NCc2ncc(-c3ccccc3)o2)c1 ZINC000045987046 822430815 /nfs/dbraw/zinc/43/08/15/822430815.db2.gz KUEFYLXBWPEBSC-UHFFFAOYSA-N 1 0 392.503 4.183 20 0 GIADRO COc1cccc(C[C@@H]([NH2+]C2CCN(c3ccccc3OC)CC2)C2CC2)c1 ZINC000179022157 822430839 /nfs/dbraw/zinc/43/08/39/822430839.db2.gz YPGQRENUDVUFGM-JOCHJYFZSA-N 1 0 380.532 4.284 20 0 GIADRO C[C@@H]1CCC[C@H]([NH2+]Cc2cccnc2Oc2cccc(S(C)(=O)=O)c2)[C@@H]1C ZINC000183145928 822430952 /nfs/dbraw/zinc/43/09/52/822430952.db2.gz JDABNIOZRYOFEB-QINHECLXSA-N 1 0 388.533 4.192 20 0 GIADRO Cc1cc(NC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)n(Cc2ccccc2)n1 ZINC000045989410 822431332 /nfs/dbraw/zinc/43/13/32/822431332.db2.gz FFYJOQMUAHDZRS-IBGZPJMESA-N 1 0 383.540 4.016 20 0 GIADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)Nc2cccc(-n3cccc3)c2)CC1 ZINC000179028518 822431403 /nfs/dbraw/zinc/43/14/03/822431403.db2.gz WZNFJJYYKJVNDZ-GOSISDBHSA-N 1 0 389.503 4.219 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cc(F)ccc2C)cc1 ZINC000183151124 822431907 /nfs/dbraw/zinc/43/19/07/822431907.db2.gz PTJUADOHUVJSKY-HZPDHXFCSA-N 1 0 380.467 4.306 20 0 GIADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)C2)C1 ZINC000454134900 822432414 /nfs/dbraw/zinc/43/24/14/822432414.db2.gz LWQSKHIZEPJTNK-INIZCTEOSA-N 1 0 375.822 4.308 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)c1ccccc1Br)c1ccccc1-n1cccn1 ZINC000183160299 822433479 /nfs/dbraw/zinc/43/34/79/822433479.db2.gz HQXIICHGVSQEJZ-IFXJQAMLSA-N 1 0 386.293 4.019 20 0 GIADRO Cc1cc(C[NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)cc(C)c1OC(F)F ZINC000179053684 822433667 /nfs/dbraw/zinc/43/36/67/822433667.db2.gz VBAUANOWWGTIGE-LJQANCHMSA-N 1 0 388.458 4.043 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1ccccc1C(F)(F)F)c1ccccc1-n1cccn1 ZINC000183163334 822433617 /nfs/dbraw/zinc/43/36/17/822433617.db2.gz MHNBLNXNGYPNFY-AWEZNQCLSA-N 1 0 388.393 4.180 20 0 GIADRO CC(=O)c1ccc(N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)nc1 ZINC000179054487 822433939 /nfs/dbraw/zinc/43/39/39/822433939.db2.gz GKOZBLXQIIBLPG-UHFFFAOYSA-N 1 0 377.410 4.015 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1-n1cccn1 ZINC000183165374 822434075 /nfs/dbraw/zinc/43/40/75/822434075.db2.gz KCXFCURYNXZNAL-CYBMUJFWSA-N 1 0 389.286 4.468 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1-n1cccn1 ZINC000183165357 822434145 /nfs/dbraw/zinc/43/41/45/822434145.db2.gz KCXFCURYNXZNAL-ZDUSSCGKSA-N 1 0 389.286 4.468 20 0 GIADRO O=C1C[C@@H](C[NH2+]Cc2ccc(-c3ccncc3)cc2F)CN1Cc1ccccc1 ZINC000179059768 822434339 /nfs/dbraw/zinc/43/43/39/822434339.db2.gz AEUAEMALMUALHF-IBGZPJMESA-N 1 0 389.474 4.026 20 0 GIADRO O=C(c1cc(-c2ccccn2)ccc1Cl)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000179061184 822434480 /nfs/dbraw/zinc/43/44/80/822434480.db2.gz OWFYQCJVGXNLSW-GOSISDBHSA-N 1 0 383.923 4.493 20 0 GIADRO O=C1C[C@H](C[NH2+]Cc2ccc(Cl)c3cccnc23)CN1Cc1ccccc1 ZINC000179060478 822434530 /nfs/dbraw/zinc/43/45/30/822434530.db2.gz IGTXPFGSZNHDNC-QGZVFWFLSA-N 1 0 379.891 4.027 20 0 GIADRO C[C@H]1CN(C(=O)Nc2ccc(F)c(F)c2F)CC[N@H+](Cc2ccccc2)C1 ZINC000454175491 822435741 /nfs/dbraw/zinc/43/57/41/822435741.db2.gz XNPPICASSZGLOA-CQSZACIVSA-N 1 0 377.410 4.090 20 0 GIADRO Cc1cc(C)c(NC(=O)C[NH2+][C@H](C)c2ccccc2-n2cccn2)c(Cl)c1 ZINC000183174391 822435797 /nfs/dbraw/zinc/43/57/97/822435797.db2.gz JEPURAOUNSWSPL-MRXNPFEDSA-N 1 0 382.895 4.432 20 0 GIADRO COCc1ccccc1NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000046031224 822436894 /nfs/dbraw/zinc/43/68/94/822436894.db2.gz UKGPSUZWIIANNE-GOSISDBHSA-N 1 0 381.520 4.387 20 0 GIADRO COCc1ccccc1NC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000046031363 822437105 /nfs/dbraw/zinc/43/71/05/822437105.db2.gz JCRLJLZIDKQFCS-GOSISDBHSA-N 1 0 381.520 4.387 20 0 GIADRO C[C@H]([NH2+]C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc(Cl)nc1 ZINC000179105295 822438658 /nfs/dbraw/zinc/43/86/58/822438658.db2.gz GWTYQLASZSVMFD-LBPRGKRZSA-N 1 0 384.833 4.468 20 0 GIADRO COc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@@H](c2ccccc2)C2CC2)c(OC)c1 ZINC000179107691 822438816 /nfs/dbraw/zinc/43/88/16/822438816.db2.gz JNUMOYIHZQBQRV-URXFXBBRSA-N 1 0 394.515 4.108 20 0 GIADRO CC(C)Oc1ccc([C@@H](C)NC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc1 ZINC000046065558 822439093 /nfs/dbraw/zinc/43/90/93/822439093.db2.gz HEEMAWSHQYZKTH-BEFAXECRSA-N 1 0 375.538 4.198 20 0 GIADRO O=C(NC1CC[NH+](C2CC2)CC1)N[C@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000454213930 822439483 /nfs/dbraw/zinc/43/94/83/822439483.db2.gz OLJNOUXHZVFVLW-APWZRJJASA-N 1 0 375.944 4.292 20 0 GIADRO O=C(NC1CC[NH+](C2CC2)CC1)N[C@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000454213931 822439565 /nfs/dbraw/zinc/43/95/65/822439565.db2.gz OLJNOUXHZVFVLW-LPHOPBHVSA-N 1 0 375.944 4.292 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](c1ccc(Cl)cc1)N1CCOCC1)c1ccc(Cl)nc1 ZINC000179115852 822439918 /nfs/dbraw/zinc/43/99/18/822439918.db2.gz GJKBQUCITKUFJV-KDOFPFPSSA-N 1 0 380.319 4.113 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000046105216 822441199 /nfs/dbraw/zinc/44/11/99/822441199.db2.gz USPKPWMWZPDSGD-IBGZPJMESA-N 1 0 383.536 4.310 20 0 GIADRO CC[NH+](CC)CCOc1ccc(CNC(=O)N(C)[C@H](C)c2cccs2)cc1 ZINC000046104726 822441248 /nfs/dbraw/zinc/44/12/48/822441248.db2.gz QCMZWYFWTZZTIV-QGZVFWFLSA-N 1 0 389.565 4.371 20 0 GIADRO CC[C@@H](CNC(=S)Nc1ccc(C(C)=O)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000046106434 822441425 /nfs/dbraw/zinc/44/14/25/822441425.db2.gz YVFZZRGUQYSBMC-NRFANRHFSA-N 1 0 381.545 4.013 20 0 GIADRO CO[C@@H]([C@@H](C)NC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1)C1CC1 ZINC000454232879 822441785 /nfs/dbraw/zinc/44/17/85/822441785.db2.gz WLPUYRWVYFDVDI-HXOBKFHXSA-N 1 0 395.547 4.028 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)Nc2cc(F)c(OC)cc2F)CC1 ZINC000183213565 822442742 /nfs/dbraw/zinc/44/27/42/822442742.db2.gz OMXLBPGKYMGIJG-UHFFFAOYSA-N 1 0 383.483 4.339 20 0 GIADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)N(C)Cc2ccccc2O)C1 ZINC000046129577 822442936 /nfs/dbraw/zinc/44/29/36/822442936.db2.gz BNJUMQHYWUPFPO-RTBURBONSA-N 1 0 395.547 4.212 20 0 GIADRO FC(F)(F)CN1CCC([NH2+]CC2(c3ccccc3Cl)CCOCC2)CC1 ZINC000183223924 822444019 /nfs/dbraw/zinc/44/40/19/822444019.db2.gz BBALEAQHPOSCFQ-UHFFFAOYSA-N 1 0 390.877 4.005 20 0 GIADRO C[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000454259567 822445055 /nfs/dbraw/zinc/44/50/55/822445055.db2.gz GYOARCSNFNIHLO-FUHWJXTLSA-N 1 0 397.485 4.066 20 0 GIADRO Cc1onc(-c2ccc(F)cc2)c1C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000046180855 822447446 /nfs/dbraw/zinc/44/74/46/822447446.db2.gz LROUDMGEOURXHS-UHFFFAOYSA-N 1 0 393.462 4.137 20 0 GIADRO CCO[C@@H]1CCN(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)C[C@@H]1C ZINC000454275434 822448358 /nfs/dbraw/zinc/44/83/58/822448358.db2.gz XHLYYRCERRRQMN-NNMXDRDESA-N 1 0 387.568 4.018 20 0 GIADRO Cc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000183251236 822448550 /nfs/dbraw/zinc/44/85/50/822448550.db2.gz LCLVKEZQGBGMGM-HXUWFJFHSA-N 1 0 390.549 4.250 20 0 GIADRO C[C@@H](NC1CC[NH+](Cc2ccccc2)CC1)c1ncc(Br)s1 ZINC000179188614 822448656 /nfs/dbraw/zinc/44/86/56/822448656.db2.gz YWSZURSDRXEELQ-CYBMUJFWSA-N 1 0 380.355 4.221 20 0 GIADRO CC(C)(C)S(=O)(=O)CC[NH2+][C@H]1CCCc2cc(SC(F)F)ccc21 ZINC000183255454 822448995 /nfs/dbraw/zinc/44/89/95/822448995.db2.gz XMVUSVCFDYUKLE-HNNXBMFYSA-N 1 0 377.522 4.182 20 0 GIADRO C[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1cccc(N2CCCC2)c1 ZINC000179195685 822449276 /nfs/dbraw/zinc/44/92/76/822449276.db2.gz JHZFNZZRQQBEKD-CDNPAEQRSA-N 1 0 392.547 4.092 20 0 GIADRO C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000183264129 822450524 /nfs/dbraw/zinc/45/05/24/822450524.db2.gz DSODIKWULHWVCX-UTKZUKDTSA-N 1 0 398.576 4.148 20 0 GIADRO C[C@H]([NH2+][C@H]1CCc2c1cccc2Br)c1ccc(S(C)(=O)=O)cc1 ZINC000179203636 822450603 /nfs/dbraw/zinc/45/06/03/822450603.db2.gz QPUGSCCZEZZDCT-SGTLLEGYSA-N 1 0 394.334 4.191 20 0 GIADRO C[C@H]([NH2+]CC1(c2ccc(F)cc2)CCOCC1)c1ncc(Br)s1 ZINC000179211592 822451692 /nfs/dbraw/zinc/45/16/92/822451692.db2.gz JSQZCNUIEIFTGA-LBPRGKRZSA-N 1 0 399.329 4.444 20 0 GIADRO C[C@@H](C[NH2+][C@@H](C)c1ncc(Br)s1)N1CCc2ccccc2C1 ZINC000179215624 822452647 /nfs/dbraw/zinc/45/26/47/822452647.db2.gz GEWZCPPOIYDJMP-STQMWFEESA-N 1 0 380.355 4.003 20 0 GIADRO COC[C@@H]([NH2+]CCc1nc(-c2cccc(Cl)c2)no1)c1ccc(F)c(F)c1 ZINC000183278444 822452850 /nfs/dbraw/zinc/45/28/50/822452850.db2.gz SEWJPGBURAZALV-QGZVFWFLSA-N 1 0 393.821 4.188 20 0 GIADRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cnc2ccc(F)cc2c1 ZINC000179217584 822452883 /nfs/dbraw/zinc/45/28/83/822452883.db2.gz KQMVNLDVNXYECF-HNNXBMFYSA-N 1 0 383.492 4.077 20 0 GIADRO COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@H](C)c3cccc(F)c3F)C2)c1 ZINC000183281318 822453040 /nfs/dbraw/zinc/45/30/40/822453040.db2.gz GCLUJZNDUPMINO-HUUCEWRRSA-N 1 0 376.447 4.159 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000454298387 822453916 /nfs/dbraw/zinc/45/39/16/822453916.db2.gz JDNHWLDGPFIMNQ-OAQYLSRUSA-N 1 0 397.494 4.320 20 0 GIADRO O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCC([NH2+]Cc2ccccc2)CC1 ZINC000454297963 822453925 /nfs/dbraw/zinc/45/39/25/822453925.db2.gz HOHPYCJGTRJUCP-UHFFFAOYSA-N 1 0 393.409 4.371 20 0 GIADRO Fc1ccc([C@@H](C[NH2+][C@@H](c2ccco2)c2ccccc2)N2CCOCC2)cc1 ZINC000183295931 822454721 /nfs/dbraw/zinc/45/47/21/822454721.db2.gz NGLZGTJBKYAGDH-FYYLOGMGSA-N 1 0 380.463 4.171 20 0 GIADRO C[C@H](CCN[C@@H](C)c1ncc(Br)s1)[N@H+](C)Cc1ccccc1 ZINC000179236627 822455584 /nfs/dbraw/zinc/45/55/84/822455584.db2.gz WWOZPSUZJFFYML-KGLIPLIRSA-N 1 0 382.371 4.467 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)NC[C@H]2CSc3ccccc32)CC1 ZINC000454322439 822457776 /nfs/dbraw/zinc/45/77/76/822457776.db2.gz UAVQKGYRUKMXDN-IBGZPJMESA-N 1 0 395.572 4.148 20 0 GIADRO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc2cnccc21 ZINC000183322670 822458907 /nfs/dbraw/zinc/45/89/07/822458907.db2.gz QUCFVVUODDKTDD-NRFANRHFSA-N 1 0 375.472 4.155 20 0 GIADRO C[N@@H+]1CC[C@@H](NC(=O)N(Cc2ccco2)Cc2ccco2)[C@@H]1c1ccccc1 ZINC000179271729 822459623 /nfs/dbraw/zinc/45/96/23/822459623.db2.gz YUCZDEOEPXEUQD-RTWAWAEBSA-N 1 0 379.460 4.030 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1)c1ncc(Br)s1 ZINC000183333700 822460252 /nfs/dbraw/zinc/46/02/52/822460252.db2.gz FLNBIFSQMRYYCT-PWSUYJOCSA-N 1 0 386.746 4.489 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc(N2CCOC2=O)cc1 ZINC000183333440 822460259 /nfs/dbraw/zinc/46/02/59/822460259.db2.gz LDLCBMSWYCGWMQ-QAPCUYQASA-N 1 0 385.895 4.226 20 0 GIADRO Cn1ccnc1[C@H]([NH2+]Cc1ccc(NC(=O)c2ccc(F)cc2)cc1)C1CC1 ZINC000183340366 822461065 /nfs/dbraw/zinc/46/10/65/822461065.db2.gz YDKPIZSGCHYBFL-HXUWFJFHSA-N 1 0 378.451 4.052 20 0 GIADRO Cc1ccncc1CNC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000454360852 822461919 /nfs/dbraw/zinc/46/19/19/822461919.db2.gz JJNUTHCBFFKAFV-UHFFFAOYSA-N 1 0 380.536 4.154 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000454365890 822462818 /nfs/dbraw/zinc/46/28/18/822462818.db2.gz ATADNIUUSZBYRS-UHFFFAOYSA-N 1 0 388.537 4.242 20 0 GIADRO C[C@@H](NC(=O)c1ccccc1NCc1cccnc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183361865 822463823 /nfs/dbraw/zinc/46/38/23/822463823.db2.gz BCEXVFHXOUDVSX-UYAOXDASSA-N 1 0 392.547 4.077 20 0 GIADRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C[C@@H](c2cccs2)N2CCCC2)CC1 ZINC000183372087 822465121 /nfs/dbraw/zinc/46/51/21/822465121.db2.gz CSBBBMRSDIZXIJ-ROUUACIJSA-N 1 0 393.597 4.264 20 0 GIADRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)NC[C@H]1CCCCC1(F)F ZINC000454377101 822465186 /nfs/dbraw/zinc/46/51/86/822465186.db2.gz MHVZCAQPZNKQFJ-LJQANCHMSA-N 1 0 379.495 4.023 20 0 GIADRO CC(C)c1nccn1Cc1cccc(NC(=O)NCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000046372764 822467015 /nfs/dbraw/zinc/46/70/15/822467015.db2.gz DOVQKDOGMAISGY-SFHVURJKSA-N 1 0 383.540 4.051 20 0 GIADRO CCCCNC(=O)C1CC[NH+](Cc2ccc(Oc3cccnc3)c(C)c2)CC1 ZINC000179331031 822467219 /nfs/dbraw/zinc/46/72/19/822467219.db2.gz KHSWHSMMEFWWLA-UHFFFAOYSA-N 1 0 381.520 4.311 20 0 GIADRO C[NH+](C)Cc1ccccc1CNC(=O)c1cccc(Br)c1Cl ZINC000183405774 822469163 /nfs/dbraw/zinc/46/91/63/822469163.db2.gz LAVBBBFOTIVXCL-UHFFFAOYSA-N 1 0 381.701 4.094 20 0 GIADRO CO[C@@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CC1(C)C ZINC000454401915 822469623 /nfs/dbraw/zinc/46/96/23/822469623.db2.gz AVZLKPODEUVNEP-OAQYLSRUSA-N 1 0 387.568 4.019 20 0 GIADRO Cc1cnc([C@@H](C)CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)s1 ZINC000183407979 822469866 /nfs/dbraw/zinc/46/98/66/822469866.db2.gz JMSKZRMEAUQMER-FAXKSRBJSA-N 1 0 398.576 4.050 20 0 GIADRO C[N@@H+]1CCCN(c2ccc(NC(=O)[C@@H]3CCC[C@H](C(F)(F)F)C3)cc2)CC1 ZINC000046404541 822470815 /nfs/dbraw/zinc/47/08/15/822470815.db2.gz KUCHSWFNNXZBFC-CVEARBPZSA-N 1 0 383.458 4.136 20 0 GIADRO Cc1cccc(N2CC[NH+](CCCNC(=S)Nc3cc(C)cc(C)c3)CC2)c1 ZINC000046416729 822471451 /nfs/dbraw/zinc/47/14/51/822471451.db2.gz NDEPWSJOSQHVAW-UHFFFAOYSA-N 1 0 396.604 4.111 20 0 GIADRO CC(C)Cn1ncc(C(=O)NCc2ccccc2C[NH+]2CCCC2)c1C(F)F ZINC000179369123 822472412 /nfs/dbraw/zinc/47/24/12/822472412.db2.gz SCLBFAHKSZHMSM-UHFFFAOYSA-N 1 0 390.478 4.003 20 0 GIADRO Cc1cc(N(C)C)ccc1NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000454420928 822472874 /nfs/dbraw/zinc/47/28/74/822472874.db2.gz AWWICHRFUCSVGI-GOSISDBHSA-N 1 0 380.536 4.047 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(N3CCCCCCC3)c(F)c2)C1 ZINC000183424755 822472901 /nfs/dbraw/zinc/47/29/01/822472901.db2.gz CIPSAPJFCVHOMH-SFHVURJKSA-N 1 0 390.547 4.402 20 0 GIADRO COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(C)sc1C ZINC000179374382 822473152 /nfs/dbraw/zinc/47/31/52/822473152.db2.gz ITUYHQLAWPBGCM-QWHCGFSZSA-N 1 0 389.521 4.010 20 0 GIADRO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000454423379 822473262 /nfs/dbraw/zinc/47/32/62/822473262.db2.gz DAOYJKVTEWYYFR-RBBKRZOGSA-N 1 0 393.531 4.081 20 0 GIADRO COc1cc(-c2ccccc2)ccc1C[NH+]1CCC([C@@H](O)c2nccn2C)CC1 ZINC000183429715 822473800 /nfs/dbraw/zinc/47/38/00/822473800.db2.gz HWQNWPJJXJNXBJ-HSZRJFAPSA-N 1 0 391.515 4.041 20 0 GIADRO C[N@@H+]1CCCN(c2ccc(NC(=O)c3cccc(-c4ccoc4)c3)cc2)CC1 ZINC000179382296 822474395 /nfs/dbraw/zinc/47/43/95/822474395.db2.gz PAYKZGSUQUDQOD-UHFFFAOYSA-N 1 0 375.472 4.341 20 0 GIADRO COc1cc(F)c([C@@H](C)[NH2+]C[C@H](O)COc2ccccc2C(C)C)cc1OC ZINC000183434619 822474536 /nfs/dbraw/zinc/47/45/36/822474536.db2.gz BLQSYFRFKVYEDH-CVEARBPZSA-N 1 0 391.483 4.057 20 0 GIADRO COc1cc(-c2ccccc2)ccc1C[N@@H+]1CCC[C@H]([C@@H](O)c2nccn2C)C1 ZINC000183449380 822476577 /nfs/dbraw/zinc/47/65/77/822476577.db2.gz NWAZBEQAQJDWFH-JTHBVZDNSA-N 1 0 391.515 4.041 20 0 GIADRO CC(C)n1ncc2ccc(NC(=O)N[C@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)cc21 ZINC000183447810 822476613 /nfs/dbraw/zinc/47/66/13/822476613.db2.gz INEFYLVTTAOAFK-AEFFLSMTSA-N 1 0 383.540 4.392 20 0 GIADRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]CCSCc2ccccc2C#N)CC1 ZINC000183454488 822477449 /nfs/dbraw/zinc/47/74/49/822477449.db2.gz DZSHGCOTKLWEHF-LJQANCHMSA-N 1 0 389.565 4.171 20 0 GIADRO Cc1cc2ncc([C@H](C)[NH2+]Cc3ccccc3OCC(F)(F)F)c(C)n2n1 ZINC000179402996 822477825 /nfs/dbraw/zinc/47/78/25/822477825.db2.gz PPOWASNNYKPEKG-ZDUSSCGKSA-N 1 0 378.398 4.138 20 0 GIADRO O=C(NCC1(c2cccc(C(F)(F)F)c2)CC1)NC1CC[NH+](C2CCC2)CC1 ZINC000454455272 822478490 /nfs/dbraw/zinc/47/84/90/822478490.db2.gz UNDUOZYPQCTDRK-UHFFFAOYSA-N 1 0 395.469 4.053 20 0 GIADRO C[C@H]([NH2+]CC1(c2cccc(Br)c2)CCOCC1)c1nccs1 ZINC000179412572 822479006 /nfs/dbraw/zinc/47/90/06/822479006.db2.gz OSITXCAJQYPARM-ZDUSSCGKSA-N 1 0 381.339 4.305 20 0 GIADRO Cc1cc2ncc([C@H](C)[NH2+]Cc3ccc(Br)c(F)c3)c(C)n2n1 ZINC000179416525 822479499 /nfs/dbraw/zinc/47/94/99/822479499.db2.gz UDEZETKZJXKFLM-NSHDSACASA-N 1 0 377.261 4.099 20 0 GIADRO COc1cc(F)c([C@@H](C)[NH2+]Cc2ccc(-n3nc(C)cc3C)cc2)cc1OC ZINC000183468133 822479606 /nfs/dbraw/zinc/47/96/06/822479606.db2.gz HJMXOMWZFPMNII-MRXNPFEDSA-N 1 0 383.467 4.496 20 0 GIADRO Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)NC(C)(C)CCC[NH+](C)C ZINC000454466095 822480030 /nfs/dbraw/zinc/48/00/30/822480030.db2.gz XSCHHTMYWOSOOY-UHFFFAOYSA-N 1 0 396.535 4.489 20 0 GIADRO CC(C)NC(=O)c1ccccc1NC(=O)C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000046511284 822480079 /nfs/dbraw/zinc/48/00/79/822480079.db2.gz ZIYXRXBXLWIKGO-OAQYLSRUSA-N 1 0 399.922 4.158 20 0 GIADRO C[C@@H]([NH2+]CC1CCN(C(=O)c2ccccc2)CC1)c1nc2c(s1)CCCC2 ZINC000179433341 822481993 /nfs/dbraw/zinc/48/19/93/822481993.db2.gz NJALIMHXJHVDEJ-MRXNPFEDSA-N 1 0 383.561 4.225 20 0 GIADRO CN(C(=O)c1cnc2ccc(F)cc2c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000179441908 822483535 /nfs/dbraw/zinc/48/35/35/822483535.db2.gz OKTWDGYJTYJIFP-UHFFFAOYSA-N 1 0 377.463 4.111 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)Nc1cccc(NC(=O)c2ccccc2)c1 ZINC000454490602 822483702 /nfs/dbraw/zinc/48/37/02/822483702.db2.gz YPYPLOQVIRJBDD-UHFFFAOYSA-N 1 0 382.508 4.181 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)CCNC(=O)c1cccs1)C1CCCCC1 ZINC000046539127 822483867 /nfs/dbraw/zinc/48/38/67/822483867.db2.gz USXJXVSNFCVBCX-UHFFFAOYSA-N 1 0 399.560 4.271 20 0 GIADRO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CCC[C@@]2(CCSC2)C1 ZINC000454491155 822483958 /nfs/dbraw/zinc/48/39/58/822483958.db2.gz SVFZRBLKKIHJOC-ZYJGPIPZSA-N 1 0 399.604 4.111 20 0 GIADRO COC(=O)COc1ccccc1[C@@H](C)[NH2+][C@H]1CCOc2c(Cl)cccc21 ZINC000183491574 822484804 /nfs/dbraw/zinc/48/48/04/822484804.db2.gz LXNFZGGIAGUZNO-DYVFJYSZSA-N 1 0 375.852 4.066 20 0 GIADRO Cc1nn(C)c(C)c1CCC[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000183491959 822484962 /nfs/dbraw/zinc/48/49/62/822484962.db2.gz FTUUJYGJKOAVLV-SFHVURJKSA-N 1 0 392.341 4.236 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+]CCc2coc(-c3ccc(F)cc3)n2)s1 ZINC000179453283 822485173 /nfs/dbraw/zinc/48/51/73/822485173.db2.gz KMKLMDACGRQEFE-ZDUSSCGKSA-N 1 0 389.496 4.328 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+]CCc2coc(-c3ccc(F)cc3)n2)s1 ZINC000179453274 822485219 /nfs/dbraw/zinc/48/52/19/822485219.db2.gz KMKLMDACGRQEFE-CYBMUJFWSA-N 1 0 389.496 4.328 20 0 GIADRO Cc1cc2ncc([C@H](C)[NH2+]CCc3coc(-c4ccc(F)cc4)n3)c(C)n2n1 ZINC000179456171 822485763 /nfs/dbraw/zinc/48/57/63/822485763.db2.gz GKJWKPAVWMJLGV-AWEZNQCLSA-N 1 0 379.439 4.034 20 0 GIADRO Cc1cc(N2CCCC2)ccc1NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000179460085 822486043 /nfs/dbraw/zinc/48/60/43/822486043.db2.gz UTCSIQGIUZRKDY-FCHUYYIVSA-N 1 0 378.520 4.162 20 0 GIADRO CC[C@@H]([NH2+][C@H]1CCCc2ccc(F)cc21)c1ccccc1OCC(=O)N(C)C ZINC000179467275 822486990 /nfs/dbraw/zinc/48/69/90/822486990.db2.gz YYJNCWRHXDREPB-RTWAWAEBSA-N 1 0 384.495 4.411 20 0 GIADRO CCc1nnc(-c2ccc(NC(=O)N[C@@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)cc2)o1 ZINC000183503738 822487212 /nfs/dbraw/zinc/48/72/12/822487212.db2.gz ISIDSHAXBJJHBB-DOTOQJQBSA-N 1 0 397.523 4.074 20 0 GIADRO COCCOc1ccc([C@H](C)[NH2+]C[C@@H](C)c2nc(-c3ccccc3)no2)cc1 ZINC000179478155 822488365 /nfs/dbraw/zinc/48/83/65/822488365.db2.gz GOGUNKKSMGBIGK-SJORKVTESA-N 1 0 381.476 4.216 20 0 GIADRO CCO[C@@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)C[C@H]1C ZINC000454517044 822489188 /nfs/dbraw/zinc/48/91/88/822489188.db2.gz WDKSHXFIDQKBGZ-DENIHFKCSA-N 1 0 387.568 4.019 20 0 GIADRO Cc1cc2ncc([C@H](C)[NH2+][C@@H]3CCN(C)[C@@H]3c3ccc(Cl)cc3)c(C)n2n1 ZINC000179494485 822490688 /nfs/dbraw/zinc/49/06/88/822490688.db2.gz ICMHZKBDMGVVOZ-UQIDSAAFSA-N 1 0 383.927 4.096 20 0 GIADRO C[C@H]([NH2+][C@@H](CNC(=O)OC(C)(C)C)c1ccc2ccccc2c1)c1cnn(C)c1 ZINC000179495025 822490728 /nfs/dbraw/zinc/49/07/28/822490728.db2.gz PQHJDXWKZBJBPD-KKSFZXQISA-N 1 0 394.519 4.490 20 0 GIADRO C[C@H]([NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(C(F)(F)F)cc1 ZINC000179496082 822490900 /nfs/dbraw/zinc/49/09/00/822490900.db2.gz REKOVDVINKSCOG-DOTOQJQBSA-N 1 0 376.422 4.405 20 0 GIADRO O=C1C[C@H](C[NH2+][C@@H]2CCc3c2cccc3Br)CN1Cc1ccccc1 ZINC000179496860 822491194 /nfs/dbraw/zinc/49/11/94/822491194.db2.gz IVJZSAJXYXZAJU-OXQOHEQNSA-N 1 0 399.332 4.075 20 0 GIADRO Cc1c(NC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cnn1-c1ccccc1F ZINC000183534654 822491268 /nfs/dbraw/zinc/49/12/68/822491268.db2.gz SKZXMTUKWZAIQC-RDJZCZTQSA-N 1 0 399.514 4.094 20 0 GIADRO C[C@H](NC(=O)N1CCC([NH+]2CCCCC2)CC1)c1cccc(OC(F)F)c1 ZINC000046607931 822491325 /nfs/dbraw/zinc/49/13/25/822491325.db2.gz FCNCFCBTADNEQM-HNNXBMFYSA-N 1 0 381.467 4.009 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CC2(c3ccc(F)cc3F)CC2)cc1 ZINC000179497676 822491386 /nfs/dbraw/zinc/49/13/86/822491386.db2.gz DLZCSIXPLRUIKU-AWEZNQCLSA-N 1 0 394.487 4.109 20 0 GIADRO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(Br)cc1 ZINC000179497447 822491423 /nfs/dbraw/zinc/49/14/23/822491423.db2.gz BGPHSXVUWZUWHH-WBVHZDCISA-N 1 0 387.321 4.148 20 0 GIADRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccccc1)c1ccc(OC(F)F)cc1 ZINC000046613277 822492565 /nfs/dbraw/zinc/49/25/65/822492565.db2.gz OIDSVZLFDMCLFR-INIZCTEOSA-N 1 0 391.462 4.122 20 0 GIADRO COc1ccc(C[C@H](C)C[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)cc1OC ZINC000179507871 822493107 /nfs/dbraw/zinc/49/31/07/822493107.db2.gz XVSVDNDZBKOCIS-IRXDYDNUSA-N 1 0 398.503 4.190 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)Cc2cccc3cccnc32)cc1 ZINC000046615732 822493215 /nfs/dbraw/zinc/49/32/15/822493215.db2.gz IXPHQJDGJIUJKF-IBGZPJMESA-N 1 0 387.527 4.468 20 0 GIADRO C[NH+](C)CCOc1cc(CN[C@@H](c2ccccc2)c2ccc(F)cc2)ccn1 ZINC000179511514 822493664 /nfs/dbraw/zinc/49/36/64/822493664.db2.gz SVORVCGHTKLMKO-QHCPKHFHSA-N 1 0 379.479 4.040 20 0 GIADRO CCOc1ccc(-c2nc(C)c(C(=O)NCC[NH+]3CCCCCC3)s2)cc1 ZINC000046620485 822494034 /nfs/dbraw/zinc/49/40/34/822494034.db2.gz UMHHMMIDWSYXJL-UHFFFAOYSA-N 1 0 387.549 4.123 20 0 GIADRO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000179514142 822494352 /nfs/dbraw/zinc/49/43/52/822494352.db2.gz RFWHWFIPFUWESC-KGLIPLIRSA-N 1 0 391.393 4.034 20 0 GIADRO C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000179514133 822494359 /nfs/dbraw/zinc/49/43/59/822494359.db2.gz RFWHWFIPFUWESC-KBPBESRZSA-N 1 0 391.393 4.034 20 0 GIADRO C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H](C)c1ccccc1C(F)(F)F ZINC000179514311 822494384 /nfs/dbraw/zinc/49/43/84/822494384.db2.gz AVFPIMWLVSWFGY-KBPBESRZSA-N 1 0 375.394 4.155 20 0 GIADRO CCOc1ccc(Cl)cc1[C@H](C)[NH2+][C@H](C)Cn1ncc2ccccc2c1=O ZINC000179516852 822495016 /nfs/dbraw/zinc/49/50/16/822495016.db2.gz MOSHDJYHCKAQPL-CABCVRRESA-N 1 0 385.895 4.188 20 0 GIADRO CCOc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H](C)Cn1ncc2ccccc2c1=O ZINC000179516835 822495138 /nfs/dbraw/zinc/49/51/38/822495138.db2.gz MOSHDJYHCKAQPL-GJZGRUSLSA-N 1 0 385.895 4.188 20 0 GIADRO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000179517317 822495381 /nfs/dbraw/zinc/49/53/81/822495381.db2.gz TUNWITBTGJBWOZ-ZIAGYGMSSA-N 1 0 375.394 4.155 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1ccc([S@@](C)=O)cc1 ZINC000179525134 822496983 /nfs/dbraw/zinc/49/69/83/822496983.db2.gz IMVYSJZYCCGGSK-CRWJGOAPSA-N 1 0 380.916 4.146 20 0 GIADRO C[NH+](C)CC(C)(C)NC(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000454569149 822498258 /nfs/dbraw/zinc/49/82/58/822498258.db2.gz RWWUESUSIFHSNA-UHFFFAOYSA-N 1 0 388.899 4.054 20 0 GIADRO CCn1nc(C)c(NC(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)c1C ZINC000179531169 822498238 /nfs/dbraw/zinc/49/82/38/822498238.db2.gz DKFUHCVOFNAXBX-HXUWFJFHSA-N 1 0 383.540 4.115 20 0 GIADRO CC(=O)Nc1cccc2c1CC[N@H+](Cc1cccc(OCc3ccccn3)c1)C2 ZINC000179532488 822498483 /nfs/dbraw/zinc/49/84/83/822498483.db2.gz LOLTUMCBLRBBAC-UHFFFAOYSA-N 1 0 387.483 4.177 20 0 GIADRO C[C@@H]([NH2+]C[C@H](O)c1ccccc1C(F)(F)F)c1cccc(-n2cccn2)c1 ZINC000183592989 822498697 /nfs/dbraw/zinc/49/86/97/822498697.db2.gz YSZDCGXRFFGTBH-KUHUBIRLSA-N 1 0 375.394 4.275 20 0 GIADRO Cc1cccc([C@H](NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)c2ccccn2)c1 ZINC000179536141 822499308 /nfs/dbraw/zinc/49/93/08/822499308.db2.gz ZVQIBMOKQPTBPZ-QHCPKHFHSA-N 1 0 392.547 4.139 20 0 GIADRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2oc3ccccc3c2C)cc1OC ZINC000183607233 822500355 /nfs/dbraw/zinc/50/03/55/822500355.db2.gz HDJYHFFBHYXMFK-GJZGRUSLSA-N 1 0 382.460 4.436 20 0 GIADRO C[NH+](C)C[C@@H]1CCN(C(=O)c2ccc(-c3ccc(Br)s3)s2)C1 ZINC000183608158 822500587 /nfs/dbraw/zinc/50/05/87/822500587.db2.gz PYACXHORVATHCY-NSHDSACASA-N 1 0 399.379 4.263 20 0 GIADRO C[C@H]1C[C@@H](NC(=O)N(C)Cc2c(F)cccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000454591403 822502476 /nfs/dbraw/zinc/50/24/76/822502476.db2.gz KDKGKQHCKHYPMT-WMZOPIPTSA-N 1 0 387.474 4.159 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)ccc1F ZINC000179554934 822502600 /nfs/dbraw/zinc/50/26/00/822502600.db2.gz PLVURPRSYVLKPG-WVFSVQOHSA-N 1 0 392.902 4.210 20 0 GIADRO COc1ccc(OC)c(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2oc3ccccc3c2C)c1 ZINC000183624772 822502817 /nfs/dbraw/zinc/50/28/17/822502817.db2.gz DDNQXRUIQQYDNV-LSDHHAIUSA-N 1 0 382.460 4.436 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)cc1F ZINC000179556185 822502984 /nfs/dbraw/zinc/50/29/84/822502984.db2.gz FAGDEGBHJHTILE-SZFUDVHCSA-N 1 0 392.902 4.210 20 0 GIADRO Cc1ccc(CN(C(=O)C[NH2+][C@H](C)c2cccc(OC(F)F)c2)C2CC2)o1 ZINC000179574358 822505638 /nfs/dbraw/zinc/50/56/38/822505638.db2.gz TYPODFHGDPMOIA-CQSZACIVSA-N 1 0 378.419 4.031 20 0 GIADRO CC(C)([NH2+]CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1)c1cccc(F)c1 ZINC000179575682 822505970 /nfs/dbraw/zinc/50/59/70/822505970.db2.gz JQAPSYSZBRNAJQ-GOSISDBHSA-N 1 0 395.434 4.214 20 0 GIADRO Cc1ccc(S(=O)(=O)CCC[NH2+][C@H](C)c2cccc(OC(F)F)c2)cc1 ZINC000179579478 822506300 /nfs/dbraw/zinc/50/63/00/822506300.db2.gz GQUNFYFYXCTFAH-OAHLLOKOSA-N 1 0 383.460 4.111 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000454614705 822506599 /nfs/dbraw/zinc/50/65/99/822506599.db2.gz ZDXLLEBKTJATPB-INIZCTEOSA-N 1 0 397.947 4.140 20 0 GIADRO Cc1cc(NC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)nn1-c1cccc(F)c1 ZINC000183656942 822506776 /nfs/dbraw/zinc/50/67/76/822506776.db2.gz KAHQWBSMZQCWKB-DLBZAZTESA-N 1 0 399.514 4.094 20 0 GIADRO C[C@H]([NH2+]CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1)c1cccc(OC(F)F)c1 ZINC000179588748 822507953 /nfs/dbraw/zinc/50/79/53/822507953.db2.gz GBVPRIRTIANDHQ-STQMWFEESA-N 1 0 398.400 4.436 20 0 GIADRO CCn1ncc2ccc(NC(=O)N3CC[N@H+](Cc4ccccc4)C[C@H](C)C3)cc21 ZINC000454624528 822508417 /nfs/dbraw/zinc/50/84/17/822508417.db2.gz BQCGVZQQUIFRRS-SFHVURJKSA-N 1 0 391.519 4.042 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1cccc2c1N=S=N2)c1cccc(OC(F)F)c1 ZINC000179592000 822508662 /nfs/dbraw/zinc/50/86/62/822508662.db2.gz CZZYQHTWPZMJFF-JTQLQIEISA-N 1 0 378.404 4.304 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Cc2cccc3cccnc32)C1 ZINC000046714776 822508754 /nfs/dbraw/zinc/50/87/54/822508754.db2.gz XGKYJUJWNOBRQX-IBGZPJMESA-N 1 0 387.527 4.326 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CCC(=O)c2cccs2)C1 ZINC000046714368 822508779 /nfs/dbraw/zinc/50/87/79/822508779.db2.gz NHZRNNRDARQGFU-QGZVFWFLSA-N 1 0 384.545 4.259 20 0 GIADRO CSc1cccc(NC(=O)C[NH2+][C@H](C)c2ccc(-n3ccnc3C)cc2)c1 ZINC000183671938 822508822 /nfs/dbraw/zinc/50/88/22/822508822.db2.gz HUYIVFTYYDOZPW-OAHLLOKOSA-N 1 0 380.517 4.192 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1cn(-c2ccccc2)nc1C ZINC000183674892 822509457 /nfs/dbraw/zinc/50/94/57/822509457.db2.gz WEQALVXCMWFRKC-UHFFFAOYSA-N 1 0 391.519 4.344 20 0 GIADRO CC(=O)c1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000179598175 822509747 /nfs/dbraw/zinc/50/97/47/822509747.db2.gz FXTLHOURNJKSNG-CHWSQXEVSA-N 1 0 376.403 4.168 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)c2ccccc2COc2ccccc2)cc1 ZINC000046721669 822509799 /nfs/dbraw/zinc/50/97/99/822509799.db2.gz IVYHSZCROXPZED-UHFFFAOYSA-N 1 0 390.483 4.458 20 0 GIADRO Cc1c(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)cnn1-c1ccc(Cl)cc1 ZINC000046723945 822509906 /nfs/dbraw/zinc/50/99/06/822509906.db2.gz ZMBCVBYHJHEDDU-UHFFFAOYSA-N 1 0 398.894 4.027 20 0 GIADRO COc1cc(C)c([C@H](C)[NH2+][C@H](CC(C)C)C(=O)Nc2nccs2)cc1OC ZINC000179601475 822510660 /nfs/dbraw/zinc/51/06/60/822510660.db2.gz FKMHVRULMFBSDK-GOEBONIOSA-N 1 0 391.537 4.173 20 0 GIADRO C[C@H]([NH2+]CC(=O)N(C)[C@@H](C)c1ccc(F)cc1)c1ccc(OC(F)F)cc1 ZINC000179602019 822510775 /nfs/dbraw/zinc/51/07/75/822510775.db2.gz OPSPDBRYWMTOEE-KBPBESRZSA-N 1 0 380.410 4.297 20 0 GIADRO CSc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(-n3ccnc3C)cc2)cc1 ZINC000183685508 822511165 /nfs/dbraw/zinc/51/11/65/822511165.db2.gz NSNWFOWYHVGWJZ-HNNXBMFYSA-N 1 0 380.517 4.192 20 0 GIADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1cc2sc3ccccc3c2s1 ZINC000179605653 822511272 /nfs/dbraw/zinc/51/12/72/822511272.db2.gz IACURIFHGHNEPK-CQSZACIVSA-N 1 0 388.558 4.083 20 0 GIADRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)Nc1cccc(C(=O)Nc2ccccc2)c1C ZINC000454644037 822511389 /nfs/dbraw/zinc/51/13/89/822511389.db2.gz FUANYFYWDQNSLQ-LJQANCHMSA-N 1 0 394.519 4.195 20 0 GIADRO CC(=O)c1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000179616469 822513505 /nfs/dbraw/zinc/51/35/05/822513505.db2.gz GAGPJDIOWAEOMI-QWHCGFSZSA-N 1 0 376.403 4.168 20 0 GIADRO COc1cc(C)c([C@@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cc2C)cc1OC ZINC000179623640 822514745 /nfs/dbraw/zinc/51/47/45/822514745.db2.gz VSAJBCXRJQNXBC-CQSZACIVSA-N 1 0 376.884 4.263 20 0 GIADRO COc1cc(C)c([C@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cc2C)cc1OC ZINC000179623624 822514749 /nfs/dbraw/zinc/51/47/49/822514749.db2.gz VSAJBCXRJQNXBC-AWEZNQCLSA-N 1 0 376.884 4.263 20 0 GIADRO COC(=O)COc1ccccc1[C@H](C)[NH2+][C@H](C)c1cccc(N2CCCC2)c1 ZINC000183710849 822515181 /nfs/dbraw/zinc/51/51/81/822515181.db2.gz DFZJYCUGHQGFMC-MSOLQXFVSA-N 1 0 382.504 4.250 20 0 GIADRO COc1cc(C)c([C@@H](C)[NH2+]C[C@@H](O)c2ccccc2Br)cc1OC ZINC000179629403 822515823 /nfs/dbraw/zinc/51/58/23/822515823.db2.gz JUVYPQPIGUGHPQ-CXAGYDPISA-N 1 0 394.309 4.159 20 0 GIADRO COc1cc(OC)c(NC(=O)C[NH2+][C@H](C)c2cccc(C)c2C)cc1Cl ZINC000183721056 822516589 /nfs/dbraw/zinc/51/65/89/822516589.db2.gz GLHRQDZWRKGRAG-CQSZACIVSA-N 1 0 376.884 4.263 20 0 GIADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)C(C)(C)c1ccc(Br)cc1 ZINC000046781811 822516804 /nfs/dbraw/zinc/51/68/04/822516804.db2.gz NHKNUULXJGNKLJ-OAHLLOKOSA-N 1 0 383.374 4.353 20 0 GIADRO C[NH+]1CCN(CCOc2ccc(NCC3CCC(C(F)(F)F)CC3)cc2)CC1 ZINC000183723459 822517011 /nfs/dbraw/zinc/51/70/11/822517011.db2.gz VDHQXSULIBSSBC-UHFFFAOYSA-N 1 0 399.501 4.093 20 0 GIADRO CCN(CC)C(=O)c1cccc(NC(=O)C[NH2+][C@H](C)c2cccc(C)c2C)c1 ZINC000183726509 822517449 /nfs/dbraw/zinc/51/74/49/822517449.db2.gz XEUAQULZBCBOGY-GOSISDBHSA-N 1 0 381.520 4.075 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CC(=O)NC(=O)Nc1ccccc1 ZINC000183731683 822518155 /nfs/dbraw/zinc/51/81/55/822518155.db2.gz QJJOWUFTYHKPNM-CQSZACIVSA-N 1 0 394.500 4.117 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(N2CCOC2=O)cc1)c1ccccc1OC(F)(F)F ZINC000183734313 822518656 /nfs/dbraw/zinc/51/86/56/822518656.db2.gz VCZBXWWQVWBYCJ-ZDUSSCGKSA-N 1 0 380.366 4.393 20 0 GIADRO COc1cccc(CNC(=O)C[NH2+][C@@H](C)c2sc(-c3ccccc3)nc2C)c1 ZINC000183737635 822519376 /nfs/dbraw/zinc/51/93/76/822519376.db2.gz HKEFRCCPZGRROW-HNNXBMFYSA-N 1 0 395.528 4.094 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)CCCOc1cccc2ccccc21)c1ccsc1 ZINC000046813202 822520282 /nfs/dbraw/zinc/52/02/82/822520282.db2.gz OZMRSYUYPBGMLL-HXUWFJFHSA-N 1 0 382.529 4.479 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)CCCOc1cccc2ccccc21)c1ccsc1 ZINC000046813200 822520291 /nfs/dbraw/zinc/52/02/91/822520291.db2.gz OZMRSYUYPBGMLL-FQEVSTJZSA-N 1 0 382.529 4.479 20 0 GIADRO COc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000046817601 822520941 /nfs/dbraw/zinc/52/09/41/822520941.db2.gz LQNBPKBIMXDKQI-QWHCGFSZSA-N 1 0 382.382 4.272 20 0 GIADRO CCCn1ccc2cc(NC(=O)N(C)C3C[C@H]4CC[C@@H](C3)[N@H+]4CCOC)ccc21 ZINC000454716970 822522507 /nfs/dbraw/zinc/52/25/07/822522507.db2.gz CDGLKNNQQZRMCR-WCRBZPEASA-N 1 0 398.551 4.157 20 0 GIADRO Cc1ccc([C@@H](C[NH2+][C@H](c2ccco2)c2ccccc2)N2CCOCC2)s1 ZINC000183754276 822522607 /nfs/dbraw/zinc/52/26/07/822522607.db2.gz LIAOKPZPBROUCR-KNQAVFIVSA-N 1 0 382.529 4.402 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)C[NH2+][C@H](C)c1cccc(OC(C)C)c1 ZINC000179670712 822523805 /nfs/dbraw/zinc/52/38/05/822523805.db2.gz MZMDBNYBVMCQBC-CQSZACIVSA-N 1 0 376.884 4.425 20 0 GIADRO Cc1cc2c(cc1NC(=O)NC1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)OCO2 ZINC000183760560 822523849 /nfs/dbraw/zinc/52/38/49/822523849.db2.gz TXNUNICTEUEKIM-YQQQUEKLSA-N 1 0 393.487 4.041 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)N2CCC[C@H]2c2ccc(F)cc2F)cc1F ZINC000454728278 822524167 /nfs/dbraw/zinc/52/41/67/822524167.db2.gz FQNULALBYLYPPD-FQEVSTJZSA-N 1 0 391.437 4.212 20 0 GIADRO OCCC[C@@H]([NH2+]CCc1cc(Cl)c2c(c1)OCCCO2)c1ccccc1 ZINC000179673198 822524216 /nfs/dbraw/zinc/52/42/16/822524216.db2.gz XJDHPUIFTMSTCV-LJQANCHMSA-N 1 0 375.896 4.147 20 0 GIADRO C[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@@](C)(F)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000454735494 822525099 /nfs/dbraw/zinc/52/50/99/822525099.db2.gz MWBJBJDUNBYJGP-DKSSEZFCSA-N 1 0 385.886 4.006 20 0 GIADRO COc1cccc([C@H]2[C@@H](NC(=O)Nc3c(F)cccc3F)CC[N@@H+]2C2CC2)c1 ZINC000183767963 822525505 /nfs/dbraw/zinc/52/55/05/822525505.db2.gz BGNPWFRJCIZUEK-ICSRJNTNSA-N 1 0 387.430 4.073 20 0 GIADRO Cc1ccc(NCc2c(Cl)n(C)nc2C(C)C)cc1NC(=O)CC[NH+](C)C ZINC000183774070 822526573 /nfs/dbraw/zinc/52/65/73/822526573.db2.gz XFDUYTKEUCEDGH-UHFFFAOYSA-N 1 0 391.947 4.008 20 0 GIADRO CN(C)C(=O)C1CC[NH+](Cc2ccc(-c3cccc(Br)c3)o2)CC1 ZINC000179684889 822526767 /nfs/dbraw/zinc/52/67/67/822526767.db2.gz KRKCMBBBWKFYRX-UHFFFAOYSA-N 1 0 391.309 4.009 20 0 GIADRO Cc1nscc1C(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000179686023 822527188 /nfs/dbraw/zinc/52/71/88/822527188.db2.gz UDYKATRGFFWFNX-UHFFFAOYSA-N 1 0 397.466 4.207 20 0 GIADRO C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(F)cc2-c2nc3ccccc3s2)C1 ZINC000454747424 822527285 /nfs/dbraw/zinc/52/72/85/822527285.db2.gz WWKJLGOASBOBHW-ZDUSSCGKSA-N 1 0 384.480 4.176 20 0 GIADRO C[C@@H]([NH2+]C[C@H](O)c1ccc(F)c(F)c1)c1cccc(OCc2ccccn2)c1 ZINC000179686896 822527380 /nfs/dbraw/zinc/52/73/80/822527380.db2.gz ZAMFQTUJSOAYCC-QRQCRPRQSA-N 1 0 384.426 4.323 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(F)cc1F)c1cccc(OCc2ccccn2)c1 ZINC000179687545 822527608 /nfs/dbraw/zinc/52/76/08/822527608.db2.gz JNAJOCLMNWORBU-OAHLLOKOSA-N 1 0 397.425 4.228 20 0 GIADRO Cc1ccc(NCc2ccccc2Br)cc1NC(=O)CC[NH+](C)C ZINC000183781856 822527628 /nfs/dbraw/zinc/52/76/28/822527628.db2.gz DYQDJOSZBJEVQR-UHFFFAOYSA-N 1 0 390.325 4.260 20 0 GIADRO Cc1ccccc1OC[C@H](O)C[NH2+][C@@H](C)c1cccc(OCc2ccccn2)c1 ZINC000179692703 822528598 /nfs/dbraw/zinc/52/85/98/822528598.db2.gz RTXCIKFIIMAZLT-SIKLNZKXSA-N 1 0 392.499 4.060 20 0 GIADRO C[C@H](NC(=O)C[NH2+][C@@H](C)c1cccc(OCc2ccccn2)c1)c1cccs1 ZINC000179694288 822528890 /nfs/dbraw/zinc/52/88/90/822528890.db2.gz POYGOKAIGCJZLF-IRXDYDNUSA-N 1 0 395.528 4.250 20 0 GIADRO CCOc1ccc([C@@H]2CCCN2C(=O)C[NH2+]C2(c3cccc(F)c3)CC2)cc1 ZINC000179695071 822529327 /nfs/dbraw/zinc/52/93/27/822529327.db2.gz JSHKNTCHJKTRGZ-NRFANRHFSA-N 1 0 382.479 4.167 20 0 GIADRO C[C@H](NC(=O)N1CC2(CCC2)[C@H]1c1ccco1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000454766960 822530176 /nfs/dbraw/zinc/53/01/76/822530176.db2.gz KOHODNUOCJTBQG-CZTZKLFOSA-N 1 0 393.531 4.427 20 0 GIADRO Cc1cc([C@H](C)[NH2+]CC(=O)NCc2cccc(COCc3ccco3)c2)c(C)o1 ZINC000183811813 822530854 /nfs/dbraw/zinc/53/08/54/822530854.db2.gz DHCVHUPMKJYHIZ-KRWDZBQOSA-N 1 0 396.487 4.173 20 0 GIADRO COc1cc([C@H](C)[NH2+]C[C@H](O)c2ccccc2F)ccc1OCc1ccncc1 ZINC000179703051 822531031 /nfs/dbraw/zinc/53/10/31/822531031.db2.gz BFYPEJXLLSMJAI-KKSFZXQISA-N 1 0 396.462 4.193 20 0 GIADRO COCCOc1ccc(C[NH2+]Cc2cc3cc(Br)ccc3[nH]2)cc1 ZINC000183819299 822531595 /nfs/dbraw/zinc/53/15/95/822531595.db2.gz KGBRWGRHPZYDKV-UHFFFAOYSA-N 1 0 389.293 4.245 20 0 GIADRO Cc1ccc(OC2CCN(C(=O)NCc3cccc(C[NH+](C)C)c3)CC2)cc1C ZINC000046926316 822531707 /nfs/dbraw/zinc/53/17/07/822531707.db2.gz WXNBHVPEFKQQFM-UHFFFAOYSA-N 1 0 395.547 4.118 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)CCc3nc(C(C)(C)C)no3)cc2)C1 ZINC000046935126 822532894 /nfs/dbraw/zinc/53/28/94/822532894.db2.gz OYQSXEWRLPHCDY-INIZCTEOSA-N 1 0 384.524 4.170 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)NCCCNc1ccccn1)C1CCCCC1 ZINC000046945128 822533334 /nfs/dbraw/zinc/53/33/34/822533334.db2.gz FCONJHZMTBZHOE-UHFFFAOYSA-N 1 0 395.551 4.470 20 0 GIADRO CC[NH+](CC)CCOc1ccc(NC(=O)N2CC(C)(CC(F)(F)F)C2)cc1 ZINC000454783837 822533396 /nfs/dbraw/zinc/53/33/96/822533396.db2.gz YZWQIEFGDGYYRR-UHFFFAOYSA-N 1 0 387.446 4.213 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)C(=O)N1CCc2sccc2C1)c1ccccc1OC(F)F ZINC000179724851 822535696 /nfs/dbraw/zinc/53/56/96/822535696.db2.gz ZNKVUPCAJDCRQG-BBRMVZONSA-N 1 0 394.487 4.364 20 0 GIADRO OCCC[C@@H]([NH2+]C[C@H](O)Cn1c2ccccc2c2ccccc21)c1ccccc1 ZINC000179729830 822536886 /nfs/dbraw/zinc/53/68/86/822536886.db2.gz RVIBJQVXIMSXDJ-NZQKXSOJSA-N 1 0 388.511 4.259 20 0 GIADRO CC[C@H]([NH2+]Cc1cc(F)cc2cccnc21)c1ccccc1OCC(=O)N(C)C ZINC000179730688 822537110 /nfs/dbraw/zinc/53/71/10/822537110.db2.gz WKFGDKLSIPZSII-FQEVSTJZSA-N 1 0 395.478 4.082 20 0 GIADRO CCOc1ccccc1[C@H](CC)[NH2+][C@@H](C)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000179733482 822537920 /nfs/dbraw/zinc/53/79/20/822537920.db2.gz RDEPYCAJRFBSRQ-YWZLYKJASA-N 1 0 383.492 4.112 20 0 GIADRO CCOc1ccccc1[C@@H](CC)[NH2+]CC(=O)N(C)c1nc2ccccc2s1 ZINC000179733595 822537972 /nfs/dbraw/zinc/53/79/72/822537972.db2.gz MKKSUJXBHCBGKG-MRXNPFEDSA-N 1 0 383.517 4.399 20 0 GIADRO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000179740341 822540033 /nfs/dbraw/zinc/54/00/33/822540033.db2.gz LNSPDKRQYSEGAS-AWEZNQCLSA-N 1 0 390.915 4.077 20 0 GIADRO CC1([C@H]2CCC[N@H+](CCC(=O)Nc3ccccc3-c3ccccc3)C2)OCCO1 ZINC000183887050 822540707 /nfs/dbraw/zinc/54/07/07/822540707.db2.gz ZPAYZFCFWNCZMS-FQEVSTJZSA-N 1 0 394.515 4.157 20 0 GIADRO CCOc1ccccc1[C@@H](CC)[NH2+][C@@H](C)C(=O)Nc1cc(OC)ccc1OC ZINC000179743694 822541144 /nfs/dbraw/zinc/54/11/44/822541144.db2.gz FTIZGFSPPUZNQV-MAUKXSAKSA-N 1 0 386.492 4.170 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N1CCC[C@@H]1CCc1ccccc1 ZINC000179744324 822541345 /nfs/dbraw/zinc/54/13/45/822541345.db2.gz LHYBCOMJMLZVMS-HSZRJFAPSA-N 1 0 392.547 4.105 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N1CCC[C@H]1CCc1ccccc1 ZINC000179744312 822541454 /nfs/dbraw/zinc/54/14/54/822541454.db2.gz LHYBCOMJMLZVMS-QHCPKHFHSA-N 1 0 392.547 4.105 20 0 GIADRO O=C(Nc1ccccc1)C1CC[NH+](Cc2c(F)cccc2N2CCCC2)CC1 ZINC000179746310 822541541 /nfs/dbraw/zinc/54/15/41/822541541.db2.gz QEBMAFWDSQHJHM-UHFFFAOYSA-N 1 0 381.495 4.277 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N1CCCCC[C@H]1c1ccncc1 ZINC000179750257 822542358 /nfs/dbraw/zinc/54/23/58/822542358.db2.gz IOQUICVWEVPWFB-QFIPXVFZSA-N 1 0 393.535 4.020 20 0 GIADRO NC(=O)c1cccc(CC[NH2+][C@H](c2ccco2)c2ccc(Br)cc2)c1 ZINC000183897289 822542449 /nfs/dbraw/zinc/54/24/49/822542449.db2.gz RCVMLAOQZHKBKV-IBGZPJMESA-N 1 0 399.288 4.063 20 0 GIADRO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)c(C)c1 ZINC000179756007 822544052 /nfs/dbraw/zinc/54/40/52/822544052.db2.gz AFBDAUMCKODMMC-AOMKIAJQSA-N 1 0 380.488 4.143 20 0 GIADRO Cc1ccc(NC(=O)N2CC(c3cccc(Cl)c3)C2)c(OCC[NH+](C)C)c1 ZINC000454843109 822544508 /nfs/dbraw/zinc/54/45/08/822544508.db2.gz SPFRISWJRVRWAO-UHFFFAOYSA-N 1 0 387.911 4.220 20 0 GIADRO O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000047103695 822544766 /nfs/dbraw/zinc/54/47/66/822544766.db2.gz KBOAKZYGGLZAIY-PKOBYXMFSA-N 1 0 376.460 4.243 20 0 GIADRO CC(C)Oc1ccc([C@H](C)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)cc1 ZINC000179763578 822546608 /nfs/dbraw/zinc/54/66/08/822546608.db2.gz QSWYRBOFMUKTRP-SFHVURJKSA-N 1 0 395.547 4.344 20 0 GIADRO CC(C)Oc1ccc([C@@H](C)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)cc1 ZINC000179763567 822546756 /nfs/dbraw/zinc/54/67/56/822546756.db2.gz QSWYRBOFMUKTRP-GOSISDBHSA-N 1 0 395.547 4.344 20 0 GIADRO C[C@@H](Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)c1ccc2c(c1)CCCC2 ZINC000179765095 822547212 /nfs/dbraw/zinc/54/72/12/822547212.db2.gz VLVFKBDNWRGFBZ-GOSISDBHSA-N 1 0 391.559 4.436 20 0 GIADRO O=C(NCCc1cccc(Cl)c1Cl)N1CCC([NH+]2CCCCC2)CC1 ZINC000047158047 822548900 /nfs/dbraw/zinc/54/89/00/822548900.db2.gz DNWCRQHOEAKJBR-UHFFFAOYSA-N 1 0 384.351 4.196 20 0 GIADRO C[C@@H](NC(=O)C[NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1)c1ccc(Cl)cc1 ZINC000179770322 822549201 /nfs/dbraw/zinc/54/92/01/822549201.db2.gz OFTSKDFHLGWESY-LSDHHAIUSA-N 1 0 399.922 4.217 20 0 GIADRO CC[C@H]1CN(C(=O)Nc2cc(NC(C)=O)ccc2C)CC[N@@H+]1Cc1ccccc1 ZINC000183931500 822549370 /nfs/dbraw/zinc/54/93/70/822549370.db2.gz YCGSFDWYFISGRC-NRFANRHFSA-N 1 0 394.519 4.082 20 0 GIADRO NC(=O)C1CC[NH+](Cc2cccc(N[C@H]3CCSc4ccc(F)cc43)c2)CC1 ZINC000179771125 822549454 /nfs/dbraw/zinc/54/94/54/822549454.db2.gz OVCSBZOEXHGYDO-FQEVSTJZSA-N 1 0 399.535 4.172 20 0 GIADRO Cc1cccc(Cl)c1NC(=O)C[NH2+][C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000179772832 822549799 /nfs/dbraw/zinc/54/97/99/822549799.db2.gz ULFRWUDNIQIPEP-CQSZACIVSA-N 1 0 385.895 4.286 20 0 GIADRO CC1(C)C[C@H](Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)c2ccccc21 ZINC000179773230 822549824 /nfs/dbraw/zinc/54/98/24/822549824.db2.gz BAOZEOFZDHWHEW-QFIPXVFZSA-N 1 0 377.532 4.218 20 0 GIADRO CCC(=O)Nc1ccc(NC(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](CC)C2)cc1 ZINC000183933713 822549855 /nfs/dbraw/zinc/54/98/55/822549855.db2.gz LUUXHFNCZBLNOI-NRFANRHFSA-N 1 0 394.519 4.163 20 0 GIADRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000454879751 822550148 /nfs/dbraw/zinc/55/01/48/822550148.db2.gz ZHNFKACVKGIGBZ-FPOVZHCZSA-N 1 0 379.504 4.038 20 0 GIADRO O=C(N[C@@H](c1ccc(F)c(Cl)c1)C1CC1)NC1CC([NH+]2CCCCC2)C1 ZINC000454879046 822550166 /nfs/dbraw/zinc/55/01/66/822550166.db2.gz DPSMUYSZWVOQTC-LADRWXRNSA-N 1 0 379.907 4.246 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1ccc(F)cc1Cl)c1ccc(NC(=O)C2CC2)cc1 ZINC000179775291 822550188 /nfs/dbraw/zinc/55/01/88/822550188.db2.gz XYRYMDXWEWWOHN-LBPRGKRZSA-N 1 0 389.858 4.117 20 0 GIADRO CCCCCOc1ccc([C@@H](C)[NH2+]Cc2cc(=O)n3ccccc3n2)cc1OC ZINC000179784837 822552319 /nfs/dbraw/zinc/55/23/19/822552319.db2.gz YLLLIEWWJHLHRD-QGZVFWFLSA-N 1 0 395.503 4.123 20 0 GIADRO O=C(N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1)NC1CC[NH+](C2CCC2)CC1 ZINC000454895455 822552439 /nfs/dbraw/zinc/55/24/39/822552439.db2.gz HMUSUVZJACKWTL-RZDIXWSQSA-N 1 0 395.469 4.268 20 0 GIADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2ccc(COc3ccc(F)cc3)o2)C1 ZINC000047187857 822552443 /nfs/dbraw/zinc/55/24/43/822552443.db2.gz FMEGIVSITRUBLU-QGZVFWFLSA-N 1 0 388.483 4.240 20 0 GIADRO C[C@](CO)([NH2+]Cc1nnc(-c2cc3c(s2)CCCC3)o1)C1CCCCC1 ZINC000183950167 822552493 /nfs/dbraw/zinc/55/24/93/822552493.db2.gz IDZGAJIYLMUGGE-HXUWFJFHSA-N 1 0 375.538 4.098 20 0 GIADRO C[C@H](NC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[C@H]1CCC[C@H](C)C1 ZINC000454898104 822552867 /nfs/dbraw/zinc/55/28/67/822552867.db2.gz IZRUVQOBBHXWFO-COTXFKEESA-N 1 0 389.506 4.306 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CC2(c3ccccc3OC)CCC2)cc1NC(C)=O ZINC000183957116 822553833 /nfs/dbraw/zinc/55/38/33/822553833.db2.gz DPXARXSEJSSJSM-INIZCTEOSA-N 1 0 382.504 4.435 20 0 GIADRO CCCCN(C)C(=O)C1CC[NH+](Cc2c(Cl)cccc2N2CCCC2)CC1 ZINC000179794440 822554158 /nfs/dbraw/zinc/55/41/58/822554158.db2.gz VZOSTFGKEOBZOP-UHFFFAOYSA-N 1 0 391.987 4.411 20 0 GIADRO COc1cc(C[NH+]2CCC(OCc3ccccc3)CC2)ccc1OC(=O)C1CC1 ZINC000179800431 822555365 /nfs/dbraw/zinc/55/53/65/822555365.db2.gz CSAHXRVGVOLDFA-UHFFFAOYSA-N 1 0 395.499 4.192 20 0 GIADRO C[C@H](F)CCNC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000454919225 822556656 /nfs/dbraw/zinc/55/66/56/822556656.db2.gz GFMMZADGNOYESE-QKHUXGNCSA-N 1 0 381.923 4.301 20 0 GIADRO Cc1ccc(NC(=O)NCCCCC[NH+]2CCCC2)c(-c2nc(C3CC3)no2)c1 ZINC000454920977 822557132 /nfs/dbraw/zinc/55/71/32/822557132.db2.gz TUEHUGCNYLJIJM-UHFFFAOYSA-N 1 0 397.523 4.310 20 0 GIADRO COc1ccc(C[N@H+](C)C[C@@H](C)c2nccs2)c(Br)c1OC ZINC000183986052 822558255 /nfs/dbraw/zinc/55/82/55/822558255.db2.gz FKGHVXYKZIENGL-LLVKDONJSA-N 1 0 385.327 4.158 20 0 GIADRO C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000183986792 822558412 /nfs/dbraw/zinc/55/84/12/822558412.db2.gz QQNZAKSNTWSMDH-WZONZLPQSA-N 1 0 392.547 4.059 20 0 GIADRO C[C@H]1CCCc2ccccc2[C@H]1NC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000183986840 822558478 /nfs/dbraw/zinc/55/84/78/822558478.db2.gz QQNZAKSNTWSMDH-MBSDFSHPSA-N 1 0 392.547 4.059 20 0 GIADRO CC[C@H]([NH2+]Cc1ccc(C(F)F)cc1)c1ccccc1OCC(=O)N(C)C ZINC000183987814 822558663 /nfs/dbraw/zinc/55/86/63/822558663.db2.gz WOGNKBKQHOCYJQ-SFHVURJKSA-N 1 0 376.447 4.332 20 0 GIADRO Cc1ccc(-c2noc(CCC[NH2+][C@H](c3nc(C4CC4)no3)C(C)C)n2)cc1F ZINC000179818257 822558955 /nfs/dbraw/zinc/55/89/55/822558955.db2.gz BHWRPOGITTVBOH-SFHVURJKSA-N 1 0 399.470 4.364 20 0 GIADRO Cc1oc2ccccc2c1C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000183994020 822560126 /nfs/dbraw/zinc/56/01/26/822560126.db2.gz JDEZISPUOGQBFC-QGZVFWFLSA-N 1 0 392.499 4.371 20 0 GIADRO Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000454947676 822561778 /nfs/dbraw/zinc/56/17/78/822561778.db2.gz NSXYODPEXLHLIN-AUSIDOKSSA-N 1 0 384.568 4.323 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)CCc3nc4ccccc4[nH]3)cc2)C1 ZINC000047284124 822562166 /nfs/dbraw/zinc/56/21/66/822562166.db2.gz WRAYDRKWFHEDJU-QGZVFWFLSA-N 1 0 376.504 4.366 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccc(N4CCCC4=O)cc3)cc2)C1 ZINC000047284058 822562203 /nfs/dbraw/zinc/56/22/03/822562203.db2.gz KLGJGQGEJJDMCY-GOSISDBHSA-N 1 0 391.515 4.298 20 0 GIADRO CC(=O)N(c1nc(C[NH2+][C@H](C)C2CCOCC2)cs1)c1ccc(C)c(C)c1 ZINC000179839616 822563893 /nfs/dbraw/zinc/56/38/93/822563893.db2.gz VCXNXAYBHRHRCJ-MRXNPFEDSA-N 1 0 387.549 4.349 20 0 GIADRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)c1scnc1C1CCCC1 ZINC000184014522 822564183 /nfs/dbraw/zinc/56/41/83/822564183.db2.gz RXHVEOTZUQMIFH-UHFFFAOYSA-N 1 0 383.561 4.238 20 0 GIADRO CC[NH+](CC)CCOc1ccc(CNC(=O)Nc2cc(C)ccc2C)cc1OC ZINC000047319433 822564965 /nfs/dbraw/zinc/56/49/65/822564965.db2.gz ALAGNLNPFFEBMI-UHFFFAOYSA-N 1 0 399.535 4.354 20 0 GIADRO C[C@@H](C[N@H+](C)[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1nccs1 ZINC000184022683 822565941 /nfs/dbraw/zinc/56/59/41/822565941.db2.gz KTUFXYKDTHCGBV-SWLSCSKDSA-N 1 0 383.439 4.003 20 0 GIADRO C[C@H](C[N@H+](C)[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1nccs1 ZINC000184022700 822566019 /nfs/dbraw/zinc/56/60/19/822566019.db2.gz KTUFXYKDTHCGBV-IUODEOHRSA-N 1 0 383.439 4.003 20 0 GIADRO CCC(=O)c1cccc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)c1 ZINC000454984746 822566163 /nfs/dbraw/zinc/56/61/63/822566163.db2.gz FDTUIAWXEYINSQ-GOSISDBHSA-N 1 0 379.504 4.265 20 0 GIADRO CCCCn1ccnc1-c1cccc(NC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000455006494 822569204 /nfs/dbraw/zinc/56/92/04/822569204.db2.gz XWIRNEYBWZCOGK-HSZRJFAPSA-N 1 0 395.551 4.300 20 0 GIADRO COc1ccc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1OC1CCCC1 ZINC000184045440 822569964 /nfs/dbraw/zinc/56/99/64/822569964.db2.gz INWOLFNXQOCNBX-KRWDZBQOSA-N 1 0 388.533 4.111 20 0 GIADRO O=C(Nc1cc(Cl)ccc1N1CCCCC1)N1CCC([NH+]2CCCC2)CC1 ZINC000047357684 822570335 /nfs/dbraw/zinc/57/03/35/822570335.db2.gz HDTZEMTZJLHWBZ-UHFFFAOYSA-N 1 0 390.959 4.422 20 0 GIADRO C[C@@H](C[C@H](O)c1cccs1)[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000184057628 822572333 /nfs/dbraw/zinc/57/23/33/822572333.db2.gz NBRUJBZUCNOIDL-ZBEGNZNMSA-N 1 0 397.331 4.237 20 0 GIADRO CC(C)(C)OC(=O)c1cccc(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c1 ZINC000179892316 822572441 /nfs/dbraw/zinc/57/24/41/822572441.db2.gz ZJNZJYDLXYTTSK-LJQANCHMSA-N 1 0 392.503 4.064 20 0 GIADRO CC(C)(C)OC(=O)c1cccc(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)c1 ZINC000179892299 822572465 /nfs/dbraw/zinc/57/24/65/822572465.db2.gz ZJNZJYDLXYTTSK-IBGZPJMESA-N 1 0 392.503 4.064 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)CC1 ZINC000184071007 822574063 /nfs/dbraw/zinc/57/40/63/822574063.db2.gz OIWMQPSBZFZYAR-UYAOXDASSA-N 1 0 378.507 4.429 20 0 GIADRO O=C(C[N@H+](C[C@@H]1CCOC1)C1CC1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000047405816 822575768 /nfs/dbraw/zinc/57/57/68/822575768.db2.gz ZVVKLMMLDHSVHL-JTQLQIEISA-N 1 0 377.699 4.086 20 0 GIADRO Cc1ccc([C@H](NC(=O)NCCCCC[NH+]2CCCC2)c2ccccn2)cc1 ZINC000455034369 822576227 /nfs/dbraw/zinc/57/62/27/822576227.db2.gz NCQUIGLMJATYAX-QFIPXVFZSA-N 1 0 380.536 4.045 20 0 GIADRO Cc1c(NC(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)cnn1CC(C)C ZINC000455036458 822576964 /nfs/dbraw/zinc/57/69/64/822576964.db2.gz IUSKEKBDIDUQJS-UHFFFAOYSA-N 1 0 383.540 4.024 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)c2cnc(-c3ccccc3)nc2)CC1 ZINC000184095125 822577161 /nfs/dbraw/zinc/57/71/61/822577161.db2.gz XCMLDCHMDIANRS-UHFFFAOYSA-N 1 0 380.536 4.118 20 0 GIADRO CCCNC(=O)C1CC[NH+](Cc2cn(-c3ccc(C)cc3)nc2C(C)(C)C)CC1 ZINC000179921869 822577677 /nfs/dbraw/zinc/57/76/77/822577677.db2.gz CVDLWFWNSSEGDV-UHFFFAOYSA-N 1 0 396.579 4.216 20 0 GIADRO COc1ccc(F)cc1NC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000455039966 822578089 /nfs/dbraw/zinc/57/80/89/822578089.db2.gz ADCRTLBNTFFEBO-UHFFFAOYSA-N 1 0 397.494 4.354 20 0 GIADRO O=C(NCCCCC[NH+]1CCCC1)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000455042235 822578480 /nfs/dbraw/zinc/57/84/80/822578480.db2.gz YZOZDTZPVCCQAO-SFHVURJKSA-N 1 0 397.485 4.470 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2cccnc2C(F)(F)F)CC1 ZINC000179929832 822578926 /nfs/dbraw/zinc/57/89/26/822578926.db2.gz PJXGOVSISYGKJE-HNNXBMFYSA-N 1 0 383.458 4.217 20 0 GIADRO CC1CC[NH+](CCc2cccc(NC(=O)N3CC[C@@]4(C)[C@@H](C3)C4(F)F)c2)CC1 ZINC000455051790 822580916 /nfs/dbraw/zinc/58/09/16/822580916.db2.gz FKRILOZNDOIPSI-CTNGQTDRSA-N 1 0 391.506 4.470 20 0 GIADRO COCC[N@H+](Cc1ccco1)Cc1ccc(Br)c2cccnc12 ZINC000179939194 822580953 /nfs/dbraw/zinc/58/09/53/822580953.db2.gz FXMCPHDQHJBSBM-UHFFFAOYSA-N 1 0 375.266 4.239 20 0 GIADRO Cc1noc(C)c1COc1ccc(CC(=O)Nc2cccc(C[NH+](C)C)c2)cc1 ZINC000047453254 822581007 /nfs/dbraw/zinc/58/10/07/822581007.db2.gz MRDPJUAUYDGRDW-UHFFFAOYSA-N 1 0 393.487 4.113 20 0 GIADRO O=C(NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000455056203 822581766 /nfs/dbraw/zinc/58/17/66/822581766.db2.gz LGADOZQRMHLOJE-DPAVQSFQSA-N 1 0 382.335 4.023 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2C[C@H]2c2ccccc2)[C@@H]1c1cccs1 ZINC000455055340 822581779 /nfs/dbraw/zinc/58/17/79/822581779.db2.gz VOIWWJQDNNBOGO-VNYTWHDVSA-N 1 0 383.561 4.234 20 0 GIADRO C[C@H](F)CCNC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000455060633 822582556 /nfs/dbraw/zinc/58/25/56/822582556.db2.gz SXIPHESEDQNWIA-YSVLISHTSA-N 1 0 389.437 4.136 20 0 GIADRO CC(C)[N@@H+](Cc1ccc(NC(=O)N2CC[C@@H](F)C2)cc1)C[C@H]1CCCCO1 ZINC000455073346 822584936 /nfs/dbraw/zinc/58/49/36/822584936.db2.gz HJEDPNFHHCRTJG-UYAOXDASSA-N 1 0 377.504 4.042 20 0 GIADRO C[C@@H](NC(=O)CC1(C[NH3+])CCCCC1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000184150682 822586222 /nfs/dbraw/zinc/58/62/22/822586222.db2.gz RCLGACUTXXBULL-GOSISDBHSA-N 1 0 393.531 4.415 20 0 GIADRO C[C@H](CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)NC(=O)c1ccccc1 ZINC000047522485 822586875 /nfs/dbraw/zinc/58/68/75/822586875.db2.gz MNYARUFYCFNGKT-MOPGFXCFSA-N 1 0 393.531 4.208 20 0 GIADRO CC(C)[N@H+](Cc1ccc(NC(=O)NCC[C@H](C)F)cc1)C[C@H]1CCCCO1 ZINC000455082961 822586993 /nfs/dbraw/zinc/58/69/93/822586993.db2.gz ZEWYQBGTGMJZBJ-FXAWDEMLSA-N 1 0 379.520 4.336 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc(-n2cncn2)cc1)c1nc2ccc(Cl)cc2n1C ZINC000179977202 822589051 /nfs/dbraw/zinc/58/90/51/822589051.db2.gz UJHNIKUJBHHLOZ-KBPBESRZSA-N 1 0 380.883 4.219 20 0 GIADRO O=C(Nc1ccc(F)cc1Br)N1CCC([NH+]2CCCCC2)CC1 ZINC000047550077 822589759 /nfs/dbraw/zinc/58/97/59/822589759.db2.gz QVGMOMZGGVKRMI-UHFFFAOYSA-N 1 0 384.293 4.070 20 0 GIADRO CC[NH+](CC)C1CCN(C(=O)Nc2c(C)cc(Br)cc2C)CC1 ZINC000047550401 822589993 /nfs/dbraw/zinc/58/99/93/822589993.db2.gz FFRUTUBJDCHVAU-UHFFFAOYSA-N 1 0 382.346 4.404 20 0 GIADRO [NH3+]CC1(CC(=O)Nc2ccc(NC(=O)N3CCCCCC3)cc2)CCCCC1 ZINC000184175191 822591026 /nfs/dbraw/zinc/59/10/26/822591026.db2.gz GMOICETUYRCKEI-UHFFFAOYSA-N 1 0 386.540 4.332 20 0 GIADRO C[C@H]1CN(C(=O)Nc2ccc(Cl)c(OC(F)F)c2)CC[N@@H+](C2CCC2)C1 ZINC000455115608 822591124 /nfs/dbraw/zinc/59/11/24/822591124.db2.gz VSBPIVOWBZLFOY-GFCCVEGCSA-N 1 0 387.858 4.280 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc(-n2cc[nH]c2=S)cc1 ZINC000047572244 822592520 /nfs/dbraw/zinc/59/25/20/822592520.db2.gz UTGVOMRAKOYUKE-UHFFFAOYSA-N 1 0 394.544 4.307 20 0 GIADRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)c3c(F)cccc3Cl)cc2)C[C@@H](C)O1 ZINC000047588677 822594660 /nfs/dbraw/zinc/59/46/60/822594660.db2.gz OLXNWTOQZMJERJ-HUUCEWRRSA-N 1 0 390.886 4.018 20 0 GIADRO O=C(NCCC[NH+]1CCCCCC1)Nc1cccc(COCc2ccco2)c1 ZINC000047602803 822595778 /nfs/dbraw/zinc/59/57/78/822595778.db2.gz QJIMXCJCMLVCCB-UHFFFAOYSA-N 1 0 385.508 4.384 20 0 GIADRO CC(=O)c1ccc(NC(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)nc1 ZINC000455140421 822595812 /nfs/dbraw/zinc/59/58/12/822595812.db2.gz LFEUGPWJRQNUGF-INIZCTEOSA-N 1 0 380.492 4.069 20 0 GIADRO C[C@H]([NH2+]C[C@@H]1COC2(CCCCCC2)O1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000180010943 822596043 /nfs/dbraw/zinc/59/60/43/822596043.db2.gz PAOOCEHSMVZQQI-OXJNMPFZSA-N 1 0 387.524 4.087 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(F)cc2F)cc1OC ZINC000047609155 822596578 /nfs/dbraw/zinc/59/65/78/822596578.db2.gz XAKZVEZAMLOFOJ-QWHCGFSZSA-N 1 0 378.419 4.050 20 0 GIADRO O=S1(=O)CC[C@H](C[NH2+]Cc2ccc(-c3ccc(Cl)c(Cl)c3)s2)C1 ZINC000047609598 822596779 /nfs/dbraw/zinc/59/67/79/822596779.db2.gz QOXKJQQXAXXPOD-LLVKDONJSA-N 1 0 390.357 4.246 20 0 GIADRO CCOc1ccc(C(C)=O)cc1C[NH2+][C@@H](C)c1ccc2c(c1)O[C@H](CC)C(=O)N2 ZINC000180015142 822597041 /nfs/dbraw/zinc/59/70/41/822597041.db2.gz POFHTFVYFDESJL-VBKZILBWSA-N 1 0 396.487 4.248 20 0 GIADRO COc1ccc(NC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)cc1OC(C)C ZINC000184214170 822597277 /nfs/dbraw/zinc/59/72/77/822597277.db2.gz NGUPNMIVROELSA-GOSISDBHSA-N 1 0 389.471 4.046 20 0 GIADRO CNC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]2C[C@@H]2C)c1 ZINC000180016874 822597268 /nfs/dbraw/zinc/59/72/68/822597268.db2.gz PFDNBECUPNANIZ-AFHBHXEDSA-N 1 0 399.922 4.014 20 0 GIADRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000184213088 822597308 /nfs/dbraw/zinc/59/73/08/822597308.db2.gz BBTYLFOYFMWORJ-LYVPNPBASA-N 1 0 399.516 4.259 20 0 GIADRO COc1ccc(NC(=O)NCCCCC[NH+]2CCCCC2)cc1OC(C)C ZINC000184215869 822597542 /nfs/dbraw/zinc/59/75/42/822597542.db2.gz FZKULSWFJMMJKS-UHFFFAOYSA-N 1 0 377.529 4.260 20 0 GIADRO CCNC(=O)c1ccc(C[NH2+][C@@H](c2ccc(Br)cc2)C2CC2)cc1 ZINC000180019800 822597872 /nfs/dbraw/zinc/59/78/72/822597872.db2.gz BZJMOEYTKKLQRN-LJQANCHMSA-N 1 0 387.321 4.440 20 0 GIADRO CC(C)[C@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccc(Cl)c(Cl)c1 ZINC000180019469 822597948 /nfs/dbraw/zinc/59/79/48/822597948.db2.gz LBFPJLHDSLYSMR-KRWDZBQOSA-N 1 0 376.291 4.456 20 0 GIADRO COc1ccc(NC(=O)NC2CC[NH+](CC3CCCC3)CC2)cc1OC(C)C ZINC000184219757 822598164 /nfs/dbraw/zinc/59/81/64/822598164.db2.gz CZMQDFAABHKFJD-UHFFFAOYSA-N 1 0 389.540 4.259 20 0 GIADRO COc1ccc([C@H]([NH2+]Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)C(C)C)cc1 ZINC000180020552 822598193 /nfs/dbraw/zinc/59/81/93/822598193.db2.gz CUUPVUWJJFXIFF-IEGUWTFLSA-N 1 0 383.536 4.191 20 0 GIADRO Cc1ccc(N2CCOC2=O)cc1N[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000180021488 822598396 /nfs/dbraw/zinc/59/83/96/822598396.db2.gz NXIARDDUBVPRFU-KRWDZBQOSA-N 1 0 383.492 4.065 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)C[NH2+][C@H](c2ccc(Cl)cc2)[C@H]2C[C@@H]2C)c1 ZINC000180023324 822598765 /nfs/dbraw/zinc/59/87/65/822598765.db2.gz HSUBHPAWXKAKHW-JBZDTAIVSA-N 1 0 385.895 4.224 20 0 GIADRO CC(C)CS(=O)(=O)N1CCC([NH2+][C@@H](C)c2cc3cc(Cl)ccc3o2)CC1 ZINC000180024701 822599299 /nfs/dbraw/zinc/59/92/99/822599299.db2.gz ZVHWTCBGXFIRFG-AWEZNQCLSA-N 1 0 398.956 4.187 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@@H]1CCCCC1(F)F ZINC000455174588 822601994 /nfs/dbraw/zinc/60/19/94/822601994.db2.gz VICBTYSSYYGXHU-SFHVURJKSA-N 1 0 394.510 4.155 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(CN2CCCC2=O)cc1)c1nc2ccc(Cl)cc2n1C ZINC000180036713 822602052 /nfs/dbraw/zinc/60/20/52/822602052.db2.gz QKTJNNBVWOVSCU-OAHLLOKOSA-N 1 0 396.922 4.200 20 0 GIADRO Cc1cccc(NC(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)c1Br ZINC000455176927 822602414 /nfs/dbraw/zinc/60/24/14/822602414.db2.gz YBMRPCGDLALEEZ-CYBMUJFWSA-N 1 0 380.330 4.096 20 0 GIADRO Cc1cccc(NC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)c1Br ZINC000455176928 822602419 /nfs/dbraw/zinc/60/24/19/822602419.db2.gz YBMRPCGDLALEEZ-ZDUSSCGKSA-N 1 0 380.330 4.096 20 0 GIADRO COc1cc(C[NH2+]Cc2cc(OC)c3c(c2)OCCO3)ccc1OC1CCCC1 ZINC000047717748 822603500 /nfs/dbraw/zinc/60/35/00/822603500.db2.gz UTGINOQAAWPCNK-UHFFFAOYSA-N 1 0 399.487 4.086 20 0 GIADRO O=C(CCCOc1ccccc1)Nc1ccc(C[NH2+]Cc2ccncc2)cc1 ZINC000047717971 822603676 /nfs/dbraw/zinc/60/36/76/822603676.db2.gz UKTPRVFEUYZTJK-UHFFFAOYSA-N 1 0 375.472 4.169 20 0 GIADRO Cc1csc(Sc2ccc(NC(=O)N(C)CC[N@H+](C)C3CC3)c(C)c2)n1 ZINC000184257924 822604515 /nfs/dbraw/zinc/60/45/15/822604515.db2.gz GZTSXMMJQGBJFF-UHFFFAOYSA-N 1 0 390.578 4.469 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)c3nc(C)oc3-c3ccccc3)c2)CC1 ZINC000184259280 822604639 /nfs/dbraw/zinc/60/46/39/822604639.db2.gz SNLRFQUBWXNDFC-UHFFFAOYSA-N 1 0 390.487 4.044 20 0 GIADRO Cc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+][C@H](C)C[S@](C)=O)cc1C ZINC000184260181 822604893 /nfs/dbraw/zinc/60/48/93/822604893.db2.gz ICWHJCUTEXSGIG-GDJIYFAZSA-N 1 0 395.572 4.072 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1ccc(F)c(Br)c1 ZINC000180056230 822605411 /nfs/dbraw/zinc/60/54/11/822605411.db2.gz WESNABIVIIUBJF-ACJLOTCBSA-N 1 0 378.289 4.306 20 0 GIADRO C[C@@H](C[S@@](C)=O)[NH2+]Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 ZINC000184269905 822606278 /nfs/dbraw/zinc/60/62/78/822606278.db2.gz OJTAFVZVNRGUMC-DEXQXJORSA-N 1 0 393.512 4.142 20 0 GIADRO Cc1ccc([C@H]([NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)C2CC2)cc1 ZINC000180061901 822606742 /nfs/dbraw/zinc/60/67/42/822606742.db2.gz VHZGZSLOXOMCJV-GLDPYIMESA-N 1 0 392.543 4.485 20 0 GIADRO C[C@H](C[S@](C)=O)[NH2+][C@H](c1ccc(Cl)cc1)c1ccc(OC(F)F)cc1 ZINC000184287439 822609008 /nfs/dbraw/zinc/60/90/08/822609008.db2.gz RSCKZFBHHMVKHH-ZNMXNXGWSA-N 1 0 387.879 4.387 20 0 GIADRO CSc1ccc([C@H](CNC(=O)Nc2cnn([C@H](C)C3CC3)c2)[NH+](C)C)cc1 ZINC000455209643 822609336 /nfs/dbraw/zinc/60/93/36/822609336.db2.gz NJTAKHSONNKQQM-KUHUBIRLSA-N 1 0 387.553 4.000 20 0 GIADRO COc1ccccc1S(=O)(=O)CCC[NH2+][C@H](C)c1ccc(F)cc1Cl ZINC000184308514 822612084 /nfs/dbraw/zinc/61/20/84/822612084.db2.gz UCQHQMSJOHRXNI-CYBMUJFWSA-N 1 0 385.888 4.002 20 0 GIADRO C[C@@H](C(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1cn(C)c2ccccc12 ZINC000184311602 822612688 /nfs/dbraw/zinc/61/26/88/822612688.db2.gz CLWSBSWCLKOHOV-QGZVFWFLSA-N 1 0 393.556 4.469 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(OCc2ccccn2)cc1)c1ccc2c(c1)CCC(=O)N2 ZINC000047826089 822612803 /nfs/dbraw/zinc/61/28/03/822612803.db2.gz YCMDTVKDTRUJCE-KRWDZBQOSA-N 1 0 387.483 4.396 20 0 GIADRO C[C@@H](NC(=O)NC[C@@H](c1cccs1)[NH+](C)C)c1cccc(OC(F)F)c1 ZINC000047832234 822613220 /nfs/dbraw/zinc/61/32/20/822613220.db2.gz QNYNZTZMEDXNRB-DOMZBBRYSA-N 1 0 383.464 4.013 20 0 GIADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)Nc3cccnc3-c3ccc(Cl)s3)C2)C1 ZINC000455230564 822613336 /nfs/dbraw/zinc/61/33/36/822613336.db2.gz QJGHUGFJBOALOW-GOSISDBHSA-N 1 0 376.913 4.023 20 0 GIADRO CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@H](c2ccccc2C)C(C)(C)C)cc1 ZINC000180094027 822614124 /nfs/dbraw/zinc/61/41/24/822614124.db2.gz QXIZBVVAJQKOBB-DENIHFKCSA-N 1 0 384.520 4.070 20 0 GIADRO COc1ccc2oc([C@H](C)[NH2+]C[C@@H](O)COCc3ccccc3F)c(C)c2c1 ZINC000184319890 822614246 /nfs/dbraw/zinc/61/42/46/822614246.db2.gz YXIMFCSHNMTYEZ-DOTOQJQBSA-N 1 0 387.451 4.117 20 0 GIADRO COCCOc1cc(C)ccc1NC(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000047855377 822614302 /nfs/dbraw/zinc/61/43/02/822614302.db2.gz STQPSHKCFAFRCC-UHFFFAOYSA-N 1 0 399.535 4.182 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Nc1cc(F)c(N2CCCC2)c(F)c1)c1cccs1 ZINC000047860966 822614638 /nfs/dbraw/zinc/61/46/38/822614638.db2.gz JEXNLJHRQPMBIB-INIZCTEOSA-N 1 0 394.491 4.051 20 0 GIADRO CCCNC(=O)CN1CCC([NH2+][C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000180102521 822615591 /nfs/dbraw/zinc/61/55/91/822615591.db2.gz GKHUEELKUQDKSH-QHCPKHFHSA-N 1 0 399.966 4.010 20 0 GIADRO C[C@@H](NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccc(OC(F)F)cc1 ZINC000047871763 822615621 /nfs/dbraw/zinc/61/56/21/822615621.db2.gz VSVHYAVSOPPOCQ-RHSMWYFYSA-N 1 0 393.434 4.078 20 0 GIADRO COc1ccc(/C=C(\C)C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1F ZINC000184329039 822615991 /nfs/dbraw/zinc/61/59/91/822615991.db2.gz BTDNJNAUNDTTIO-DOIQENQNSA-N 1 0 396.506 4.218 20 0 GIADRO COc1ccc2oc([C@H](C)[NH2+]CC(=O)N(C)Cc3ccccc3OC)c(C)c2c1 ZINC000184329277 822616066 /nfs/dbraw/zinc/61/60/66/822616066.db2.gz WDHXEPBUIXGCRC-INIZCTEOSA-N 1 0 396.487 4.068 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(COC2CCOCC2)c1)c1nc2ccccc2n1C ZINC000180109105 822617065 /nfs/dbraw/zinc/61/70/65/822617065.db2.gz FKRPUYQPWICZSR-KRWDZBQOSA-N 1 0 379.504 4.120 20 0 GIADRO COc1ccc2oc([C@@H](C)[NH2+][C@@H](C)C(=O)NCc3ccccc3OC)c(C)c2c1 ZINC000184332624 822617108 /nfs/dbraw/zinc/61/71/08/822617108.db2.gz TXDZSDXJVNSSHO-CVEARBPZSA-N 1 0 396.487 4.114 20 0 GIADRO COc1ccc2oc([C@@H](C)[NH2+][C@@H](C)C(=O)N3CCc4sccc4C3)c(C)c2c1 ZINC000184333402 822617275 /nfs/dbraw/zinc/61/72/75/822617275.db2.gz CXQDUXMVDPUHIV-CABCVRRESA-N 1 0 398.528 4.435 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1 ZINC000047903261 822618110 /nfs/dbraw/zinc/61/81/10/822618110.db2.gz UVKPLQHBXDSIKH-UHFFFAOYSA-N 1 0 393.531 4.407 20 0 GIADRO COc1ccc2oc([C@H](C)[NH2+]C[C@H](O)COc3cccc4[nH]ccc43)c(C)c2c1 ZINC000184338856 822618140 /nfs/dbraw/zinc/61/81/40/822618140.db2.gz AZUZVOWGHYZUSD-HOTGVXAUSA-N 1 0 394.471 4.322 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)Nc1cccc(OC(F)F)c1 ZINC000047906200 822618226 /nfs/dbraw/zinc/61/82/26/822618226.db2.gz WCFSLBXOZIBYCY-INIZCTEOSA-N 1 0 379.407 4.230 20 0 GIADRO CC(C)Oc1ccc([C@@H](O)C[NH2+][C@H](C)c2nc3ccc(Cl)cc3n2C)cc1 ZINC000180118469 822618905 /nfs/dbraw/zinc/61/89/05/822618905.db2.gz PYEKFIJLMRULHB-VLIAUNLRSA-N 1 0 387.911 4.398 20 0 GIADRO Cc1nc(CSc2ccc(C(=O)NC[C@H](C)C[NH+]3CCCC3)cc2)cs1 ZINC000047920172 822619685 /nfs/dbraw/zinc/61/96/85/822619685.db2.gz XNPUEHOVIIXNLJ-HNNXBMFYSA-N 1 0 389.590 4.206 20 0 GIADRO C[NH+](C)CCCC1CCN(C(=O)c2cccc(Br)c2Cl)CC1 ZINC000180123395 822620119 /nfs/dbraw/zinc/62/01/19/822620119.db2.gz VJQFEZCEONSDQU-UHFFFAOYSA-N 1 0 387.749 4.297 20 0 GIADRO CCSc1cc(Cl)ccc1C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000184351163 822620376 /nfs/dbraw/zinc/62/03/76/822620376.db2.gz GZLBZDJVQIHQFB-UHFFFAOYSA-N 1 0 389.952 4.241 20 0 GIADRO CC[C@H](C)n1ncc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)c1C ZINC000455262470 822620589 /nfs/dbraw/zinc/62/05/89/822620589.db2.gz MQTLXTOICZLAAX-MSOLQXFVSA-N 1 0 383.540 4.148 20 0 GIADRO CC[C@@H](C)n1ncc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)c1C ZINC000455262478 822620608 /nfs/dbraw/zinc/62/06/08/822620608.db2.gz MQTLXTOICZLAAX-ZWKOTPCHSA-N 1 0 383.540 4.148 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)N[C@@H]1CCSc2ccc(F)cc21)c1cccc(F)c1 ZINC000047936083 822620928 /nfs/dbraw/zinc/62/09/28/822620928.db2.gz MAKXCCCFRXFLOE-QZTJIDSGSA-N 1 0 391.487 4.104 20 0 GIADRO CCc1ccc([C@@H](CNC(=O)NCc2ncc(-c3ccccc3)o2)[NH+](C)C)cc1 ZINC000047937693 822621166 /nfs/dbraw/zinc/62/11/66/822621166.db2.gz RENXNIVZZCVMFE-HXUWFJFHSA-N 1 0 392.503 4.006 20 0 GIADRO COc1cccc([C@@H](CNC(=O)N[C@H](C)c2ccc(SC)cc2)[NH+](C)C)c1 ZINC000047937238 822621175 /nfs/dbraw/zinc/62/11/75/822621175.db2.gz DCHAAFAJCUKCSI-FOIQADDNSA-N 1 0 387.549 4.080 20 0 GIADRO CCOC(=O)Nc1ccc(NC(=O)NCc2ccc(C[NH+](CC)CC)cc2)cc1 ZINC000047946983 822621882 /nfs/dbraw/zinc/62/18/82/822621882.db2.gz GMKMHCPMCBNRIM-UHFFFAOYSA-N 1 0 398.507 4.419 20 0 GIADRO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3Cl)cc2)CC1 ZINC000180129967 822621880 /nfs/dbraw/zinc/62/18/80/822621880.db2.gz XSLDKOUZGPLQIU-UHFFFAOYSA-N 1 0 397.828 4.363 20 0 GIADRO CC(C)[C@@H]([NH2+]Cc1cccc(OCC(N)=O)c1)c1cccc(C(F)(F)F)c1 ZINC000180135945 822623745 /nfs/dbraw/zinc/62/37/45/822623745.db2.gz JPYJDBDZAZOIKH-LJQANCHMSA-N 1 0 380.410 4.056 20 0 GIADRO CC[C@@H](C)n1ncc(NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)c1C ZINC000455274218 822624055 /nfs/dbraw/zinc/62/40/55/822624055.db2.gz XCKKVIQPANMXLZ-CYBMUJFWSA-N 1 0 389.466 4.043 20 0 GIADRO Cc1c(NC(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cccc1N(C)C ZINC000180143040 822625353 /nfs/dbraw/zinc/62/53/53/822625353.db2.gz VBWQTOSLRRUYNF-HXUWFJFHSA-N 1 0 380.536 4.189 20 0 GIADRO C[C@H]([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)c1nc2ccc(Cl)cc2n1C ZINC000180145993 822626128 /nfs/dbraw/zinc/62/61/28/822626128.db2.gz HECKFUVTZDAVQR-LBPRGKRZSA-N 1 0 380.920 4.181 20 0 GIADRO CC(=O)c1c(C)cc(C)c(C[NH+]2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)c1C ZINC000048046152 822626391 /nfs/dbraw/zinc/62/63/91/822626391.db2.gz UYURMRJFKDHVSA-MRXNPFEDSA-N 1 0 384.564 4.285 20 0 GIADRO CC(C)CN(C(=O)c1csc(-c2ccc(F)c(F)c2)n1)C1CC[NH+](C)CC1 ZINC000180155859 822628554 /nfs/dbraw/zinc/62/85/54/822628554.db2.gz KUIBBJYFLYTXOV-UHFFFAOYSA-N 1 0 393.503 4.281 20 0 GIADRO O=C(COc1ccccc1C[N@H+]1CCC[C@H]1c1cccc(F)c1)N1CCCC1 ZINC000180155296 822628621 /nfs/dbraw/zinc/62/86/21/822628621.db2.gz YAYREQSVLLGUEK-NRFANRHFSA-N 1 0 382.479 4.164 20 0 GIADRO Cc1nn(-c2ccccc2)cc1CCC[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000180159485 822629419 /nfs/dbraw/zinc/62/94/19/822629419.db2.gz DXBANLNHBFRMCV-UHFFFAOYSA-N 1 0 394.485 4.120 20 0 GIADRO Cc1nc2c(s1)[C@H](Nc1cccc(N3CC[NH+](CC4CC4)CC3)c1)CCC2 ZINC000180160231 822629631 /nfs/dbraw/zinc/62/96/31/822629631.db2.gz ZNFXBGLPXCYWRU-OAQYLSRUSA-N 1 0 382.577 4.473 20 0 GIADRO C[C@H](CNC(=O)Nc1cccc(NC(=O)c2ccccc2)c1)C[NH+]1CCCCC1 ZINC000048082937 822630320 /nfs/dbraw/zinc/63/03/20/822630320.db2.gz IPQIPLCXEITADT-GOSISDBHSA-N 1 0 394.519 4.182 20 0 GIADRO O=C(Cc1ccc(OC(F)(F)F)cc1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000048094472 822631154 /nfs/dbraw/zinc/63/11/54/822631154.db2.gz FQMWVLNMVSIUDN-KRWDZBQOSA-N 1 0 396.409 4.064 20 0 GIADRO C[N@@H+]1CC[C@H](NC(=O)CCCc2nc3ccccc3s2)[C@@H]1c1ccccc1 ZINC000180171074 822631697 /nfs/dbraw/zinc/63/16/97/822631697.db2.gz HZCFKMXPWBEZKN-AVRDEDQJSA-N 1 0 379.529 4.181 20 0 GIADRO CC(C)[C@H](N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1nc(C2CC2)no1 ZINC000180173223 822632328 /nfs/dbraw/zinc/63/23/28/822632328.db2.gz RZITZTYJSUXMSH-BURNTYAHSA-N 1 0 380.536 4.144 20 0 GIADRO CN(Cc1cc(F)c(F)c(F)c1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000180175958 822632785 /nfs/dbraw/zinc/63/27/85/822632785.db2.gz XWVPCXLZJZQWRS-QGZVFWFLSA-N 1 0 395.425 4.066 20 0 GIADRO C[C@@H]([NH2+][C@H](Cc1ccccc1)c1cccs1)c1ccc(S(N)(=O)=O)cc1 ZINC000180178943 822633384 /nfs/dbraw/zinc/63/33/84/822633384.db2.gz JJTLESGRLAGJPJ-DNVCBOLYSA-N 1 0 386.542 4.030 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1sccc1Br)Cc1ccccc1 ZINC000048114404 822634357 /nfs/dbraw/zinc/63/43/57/822634357.db2.gz GDUQWQIXBUTSRF-OAHLLOKOSA-N 1 0 395.366 4.194 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2cn(C)nc2-c2ccccc2)CC1 ZINC000180183110 822634440 /nfs/dbraw/zinc/63/44/40/822634440.db2.gz PIPUNSWDDZKAKP-LJQANCHMSA-N 1 0 394.563 4.204 20 0 GIADRO C[C@H]([NH2+][C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C)c1ccc(S(N)(=O)=O)cc1 ZINC000180185059 822634857 /nfs/dbraw/zinc/63/48/57/822634857.db2.gz SLQRIBZGTXMXJZ-MTZMYHNQSA-N 1 0 378.925 4.035 20 0 GIADRO C[C@@H](CC(=O)NC1CC[NH+](CC2CCCC2)CC1)C(=O)c1ccc(Cl)cc1 ZINC000180185415 822634862 /nfs/dbraw/zinc/63/48/62/822634862.db2.gz JKMNDIAJKFXQGE-INIZCTEOSA-N 1 0 390.955 4.320 20 0 GIADRO Cc1c(NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2ccnc2)cccc1N(C)C ZINC000180187615 822635236 /nfs/dbraw/zinc/63/52/36/822635236.db2.gz VWWWLTSQDFKOJQ-FCHUYYIVSA-N 1 0 389.503 4.308 20 0 GIADRO Cc1ccc(-c2nc(CC(=O)N[C@H]3CC[N@@H+](C)[C@@H]3c3ccccc3)cs2)cc1 ZINC000180187638 822635284 /nfs/dbraw/zinc/63/52/84/822635284.db2.gz HHMBTLNGCJEBPE-RBBKRZOGSA-N 1 0 391.540 4.223 20 0 GIADRO Cc1c(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cnn1-c1cccc(Cl)c1 ZINC000180189981 822635804 /nfs/dbraw/zinc/63/58/04/822635804.db2.gz PQCGWZNLNJPOPU-NHCUHLMSSA-N 1 0 394.906 4.009 20 0 GIADRO COCCC(=O)N1CCC([NH2+][C@H](c2cccc(C(F)(F)F)c2)C(C)C)CC1 ZINC000180194115 822636558 /nfs/dbraw/zinc/63/65/58/822636558.db2.gz BIHYRFMIKCUYPV-IBGZPJMESA-N 1 0 386.458 4.020 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)COCc1ccc(Cl)cc1)c1nc(C(C)(C)C)cs1 ZINC000184446754 822636796 /nfs/dbraw/zinc/63/67/96/822636796.db2.gz SYJBLLKPTBJFES-CZUORRHYSA-N 1 0 382.957 4.322 20 0 GIADRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)c1scnc1C1CCCC1 ZINC000184451426 822637703 /nfs/dbraw/zinc/63/77/03/822637703.db2.gz AVBSZLKCVBRWDB-UHFFFAOYSA-N 1 0 383.561 4.443 20 0 GIADRO CCOc1ccc(NC(=O)NC[C@@H](c2cccc(OC)c2)[NH+]2CCCC2)c(C)c1 ZINC000048142706 822638420 /nfs/dbraw/zinc/63/84/20/822638420.db2.gz URYAACMLUHXQFJ-QFIPXVFZSA-N 1 0 397.519 4.361 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1sccc1Br ZINC000048143301 822638620 /nfs/dbraw/zinc/63/86/20/822638620.db2.gz GMOVFFIEWRJUKF-UHFFFAOYSA-N 1 0 393.350 4.427 20 0 GIADRO CCOc1ccc(NC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)c(C)c1 ZINC000048144378 822638838 /nfs/dbraw/zinc/63/88/38/822638838.db2.gz YAMKLHTVRJHZSE-UHFFFAOYSA-N 1 0 381.520 4.488 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc(-n2ccnn2)cc1)c1nc2ccc(Cl)cc2n1C ZINC000180204706 822639046 /nfs/dbraw/zinc/63/90/46/822639046.db2.gz DFRNFSLYTBOVMS-ZIAGYGMSSA-N 1 0 380.883 4.219 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1nc2ccc(Cl)cc2n1C)c1ccc(-n2ccnn2)cc1 ZINC000180204672 822639060 /nfs/dbraw/zinc/63/90/60/822639060.db2.gz DFRNFSLYTBOVMS-KGLIPLIRSA-N 1 0 380.883 4.219 20 0 GIADRO CC[NH+](CC)C[C@@H]1CCN(Cc2ccc(Br)c3cccnc23)C1 ZINC000180207397 822639517 /nfs/dbraw/zinc/63/95/17/822639517.db2.gz MCRNFQNOQMFDBB-HNNXBMFYSA-N 1 0 376.342 4.161 20 0 GIADRO C[N@@H+]1CC[C@H](NC(=O)c2ccc(CCC(F)(F)F)cc2)[C@@H]1c1ccccc1 ZINC000180209063 822639875 /nfs/dbraw/zinc/63/98/75/822639875.db2.gz IWJFWZGGBLMMNP-OALUTQOASA-N 1 0 376.422 4.357 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1)c1nc2ccc(Cl)cc2n1C ZINC000180210190 822639988 /nfs/dbraw/zinc/63/99/88/822639988.db2.gz BYFQSDMQSBIWEV-DYZYQPBXSA-N 1 0 382.266 4.403 20 0 GIADRO O=C(CSc1ccc2ccccc2c1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180211607 822640290 /nfs/dbraw/zinc/64/02/90/822640290.db2.gz LIKRMNRBRHOTMR-UHFFFAOYSA-N 1 0 391.540 4.360 20 0 GIADRO OC1CC[NH+](CCCN[C@H](c2ccc(F)cc2)c2ccc(Cl)cc2)CC1 ZINC000180211765 822640466 /nfs/dbraw/zinc/64/04/66/822640466.db2.gz IUUKVLOJYHYSSS-NRFANRHFSA-N 1 0 376.903 4.005 20 0 GIADRO O=C1C[C@H](NCc2csc(-c3ccsc3)n2)CN1c1c(F)cccc1F ZINC000180218498 822641466 /nfs/dbraw/zinc/64/14/66/822641466.db2.gz ZQTDGQZKTAUDGD-LBPRGKRZSA-N 1 0 391.468 4.045 20 0 GIADRO Cc1ccc(C)c(-n2ccnc2SCC(=O)Nc2ccccc2C[NH+](C)C)c1 ZINC000048169226 822641833 /nfs/dbraw/zinc/64/18/33/822641833.db2.gz SPRKYBAAVTYHJH-UHFFFAOYSA-N 1 0 394.544 4.282 20 0 GIADRO C[C@H](c1ccc(C(=O)NCc2cccc(OCC[NH+](C)C)c2)cc1)C(F)(F)F ZINC000455374569 822642710 /nfs/dbraw/zinc/64/27/10/822642710.db2.gz WELPFNMKZMBSIM-OAHLLOKOSA-N 1 0 394.437 4.223 20 0 GIADRO Cc1cc(C)c(NC(=O)CCC[N@H+]2CCC[C@H](CC(=O)OC(C)C)C2)c(C)c1 ZINC000184487921 822644559 /nfs/dbraw/zinc/64/45/59/822644559.db2.gz MFNQDZFAFYAQNL-HXUWFJFHSA-N 1 0 388.552 4.384 20 0 GIADRO CC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1)c1ccccc1F ZINC000180231840 822644637 /nfs/dbraw/zinc/64/46/37/822644637.db2.gz YZCMZEYDGCHFPL-HXUWFJFHSA-N 1 0 378.513 4.096 20 0 GIADRO Cc1c(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)cnn1Cc1ccccc1 ZINC000180234429 822645164 /nfs/dbraw/zinc/64/51/64/822645164.db2.gz OEKLUWTTXLVKIG-UHFFFAOYSA-N 1 0 388.515 4.130 20 0 GIADRO COC[C@H]([NH2+][C@H](C)c1ccc(NC(=O)NC2CC2)cc1)c1ccc(F)c(F)c1 ZINC000180234600 822645447 /nfs/dbraw/zinc/64/54/47/822645447.db2.gz WODNHVAKXFLKTI-XCLFUZPHSA-N 1 0 389.446 4.287 20 0 GIADRO COC[C@@H]([NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1)c1ccc(F)c(F)c1 ZINC000180234619 822645459 /nfs/dbraw/zinc/64/54/59/822645459.db2.gz WODNHVAKXFLKTI-RNODOKPDSA-N 1 0 389.446 4.287 20 0 GIADRO O=C(c1csc(Br)c1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000048219531 822646168 /nfs/dbraw/zinc/64/61/68/822646168.db2.gz WFHZJIRAFCIVCR-UHFFFAOYSA-N 1 0 385.371 4.239 20 0 GIADRO CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1coc(-c2cccs2)n1 ZINC000180242790 822646819 /nfs/dbraw/zinc/64/68/19/822646819.db2.gz VBVCYFWBZHGHSD-HIFRSBDPSA-N 1 0 377.510 4.186 20 0 GIADRO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1[NH2+]Cc1coc(-c2cccs2)n1 ZINC000180242805 822646857 /nfs/dbraw/zinc/64/68/57/822646857.db2.gz VBVCYFWBZHGHSD-DZGCQCFKSA-N 1 0 377.510 4.186 20 0 GIADRO COc1ccc(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)cc1OC(F)F ZINC000048228146 822647065 /nfs/dbraw/zinc/64/70/65/822647065.db2.gz HDXNXFZRAZMDBJ-UHFFFAOYSA-N 1 0 392.446 4.067 20 0 GIADRO CC(=O)c1cccc(OC[C@@H](O)C[NH2+][C@H](C)c2nc(-c3ccccc3)cs2)c1 ZINC000184515668 822648814 /nfs/dbraw/zinc/64/88/14/822648814.db2.gz FUPHZVXTHHGAQM-BEFAXECRSA-N 1 0 396.512 4.103 20 0 GIADRO CC(=O)c1cccc(OC[C@@H](O)C[NH2+][C@@H](C)c2nc(-c3ccccc3)cs2)c1 ZINC000184515650 822648836 /nfs/dbraw/zinc/64/88/36/822648836.db2.gz FUPHZVXTHHGAQM-KXBFYZLASA-N 1 0 396.512 4.103 20 0 GIADRO CC(=O)c1cccc(OC[C@H](O)C[NH2+][C@@H](C)c2nc(-c3ccccc3)cs2)c1 ZINC000184515688 822648882 /nfs/dbraw/zinc/64/88/82/822648882.db2.gz FUPHZVXTHHGAQM-HNAYVOBHSA-N 1 0 396.512 4.103 20 0 GIADRO CCC(=O)Nc1ccc(C)c(NC(=O)NC[C@H](c2ccc(CC)cc2)[NH+](C)C)c1 ZINC000048257153 822649252 /nfs/dbraw/zinc/64/92/52/822649252.db2.gz DGSVEIZGHHBSHV-OAQYLSRUSA-N 1 0 396.535 4.330 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1cc(NC(C)=O)ccc1C)c1ccsc1 ZINC000048270712 822650237 /nfs/dbraw/zinc/65/02/37/822650237.db2.gz BSAJIXYVYWJLMJ-IBGZPJMESA-N 1 0 388.537 4.220 20 0 GIADRO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000455421053 822650619 /nfs/dbraw/zinc/65/06/19/822650619.db2.gz MCNHIEAYWXCWEE-BVYCBKJFSA-N 1 0 382.935 4.124 20 0 GIADRO CCc1c(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)[nH]c(C)c1C(C)=O ZINC000048276023 822650992 /nfs/dbraw/zinc/65/09/92/822650992.db2.gz MBFRAQPHSPDYDS-UHFFFAOYSA-N 1 0 381.520 4.004 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)Nc1cccc(Cl)c1OCC(F)F ZINC000455428891 822651818 /nfs/dbraw/zinc/65/18/18/822651818.db2.gz QSDSEVHNMNUNQA-UHFFFAOYSA-N 1 0 377.863 4.226 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)CSCc1ccncc1)c1ccccc1Cl ZINC000048298773 822652338 /nfs/dbraw/zinc/65/23/38/822652338.db2.gz RFKXMLZJSWXUAB-IBGZPJMESA-N 1 0 391.968 4.168 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)CSCc3cccnc3)cc2)C1 ZINC000048311279 822653067 /nfs/dbraw/zinc/65/30/67/822653067.db2.gz XIJHWGGQAVTLAE-KDURUIRLSA-N 1 0 397.588 4.109 20 0 GIADRO C[N@H+](CCCNC(=O)Nc1ccc2c(c1)CN(CC(F)F)C2)C1CCCCC1 ZINC000455439049 822654211 /nfs/dbraw/zinc/65/42/11/822654211.db2.gz YSCFVTLFTXWUNY-UHFFFAOYSA-N 1 0 394.510 4.043 20 0 GIADRO CCC(=O)Nc1ccc(NC(=O)NC[C@H](c2ccc(CC)cc2)[NH+](C)C)cc1 ZINC000048390356 822658682 /nfs/dbraw/zinc/65/86/82/822658682.db2.gz CAHPEXPMWNQQEH-HXUWFJFHSA-N 1 0 382.508 4.022 20 0 GIADRO CCC(=O)Nc1ccc(NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000048393129 822659126 /nfs/dbraw/zinc/65/91/26/822659126.db2.gz PQGGAEICEGMJAW-UHFFFAOYSA-N 1 0 394.519 4.343 20 0 GIADRO C[C@@H](CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(C(F)(F)F)c1 ZINC000455468621 822660535 /nfs/dbraw/zinc/66/05/35/822660535.db2.gz FPBSXTAFTNQCRZ-DXJOGWAWSA-N 1 0 383.458 4.123 20 0 GIADRO O[C@@H](C[NH2+]C1CCN(Cc2ccccn2)CC1)c1ccc(-c2ccccc2)cc1 ZINC000184579000 822660522 /nfs/dbraw/zinc/66/05/22/822660522.db2.gz JGMOEBAEOFTQJW-VWLOTQADSA-N 1 0 387.527 4.036 20 0 GIADRO CC(C)(C)CN(CC(C)(C)C)C(=O)c1cccc(NC(=O)CCn2ccnc2)c1 ZINC000180308936 822661120 /nfs/dbraw/zinc/66/11/20/822661120.db2.gz PDXQJBSPMLPELN-UHFFFAOYSA-N 1 0 398.551 4.446 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)Nc1c(C)cc(C)nc1C ZINC000455480557 822662864 /nfs/dbraw/zinc/66/28/64/822662864.db2.gz OFJUUCKWWGZDJX-UHFFFAOYSA-N 1 0 384.524 4.049 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Nc1ncn(C2CCCCC2)n1)c1ccsc1 ZINC000184596186 822663336 /nfs/dbraw/zinc/66/33/36/822663336.db2.gz KRLHBPNAGIOBBL-QGZVFWFLSA-N 1 0 390.557 4.049 20 0 GIADRO CSCC[C@@H]([NH2+]CCSc1ccccc1F)c1nnc2ccccn21 ZINC000184604258 822664715 /nfs/dbraw/zinc/66/47/15/822664715.db2.gz VVVTZJOUKAJCAD-OAHLLOKOSA-N 1 0 376.526 4.045 20 0 GIADRO Cc1cc(Br)cc(C)c1NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000048466614 822664989 /nfs/dbraw/zinc/66/49/89/822664989.db2.gz CIDLGEFZCTVHBY-UHFFFAOYSA-N 1 0 382.346 4.497 20 0 GIADRO O=C(NCCC[NH+]1CCCCCC1)Nc1cccc(NC(=O)c2ccccc2)c1 ZINC000048481396 822666629 /nfs/dbraw/zinc/66/66/29/822666629.db2.gz HGUIQQAKZUHIEQ-UHFFFAOYSA-N 1 0 394.519 4.327 20 0 GIADRO C[NH+](C)CCCC1CCN(C(=O)Nc2ccc3oc(C(F)(F)F)nc3c2)CC1 ZINC000180349364 822667874 /nfs/dbraw/zinc/66/78/74/822667874.db2.gz WUHXOSJKDAZEIS-UHFFFAOYSA-N 1 0 398.429 4.432 20 0 GIADRO Cc1c(NC(=O)NCCC[N@@H+](C)Cc2ccccc2)cccc1-c1ncco1 ZINC000455519614 822669925 /nfs/dbraw/zinc/66/99/25/822669925.db2.gz XJVVEIJEWUTPCL-UHFFFAOYSA-N 1 0 378.476 4.294 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1cccc(Cl)c1F)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000184648823 822670740 /nfs/dbraw/zinc/67/07/40/822670740.db2.gz UMMFXHVGPNKIOV-STQMWFEESA-N 1 0 384.904 4.141 20 0 GIADRO CC1(C)Oc2ccc(NC(=O)NCc3cccc(C[NH+]4CCCC4)c3)cc2O1 ZINC000048541177 822671001 /nfs/dbraw/zinc/67/10/01/822671001.db2.gz QHXNNBBESSGQGT-UHFFFAOYSA-N 1 0 381.476 4.111 20 0 GIADRO COc1ccc([C@H](C[NH2+][C@@H](C)c2cnc3ccsc3c2)N(C)C)cc1OC ZINC000180379373 822672713 /nfs/dbraw/zinc/67/27/13/822672713.db2.gz NYONWFMJYOZEPC-KSSFIOAISA-N 1 0 385.533 4.267 20 0 GIADRO COc1ccc([C@H](C[NH2+][C@H](C)c2cc(F)c(F)c(F)c2)N(C)C)cc1OC ZINC000180381043 822673009 /nfs/dbraw/zinc/67/30/09/822673009.db2.gz IRARJXZLLMXXHY-PXAZEXFGSA-N 1 0 382.426 4.075 20 0 GIADRO C[C@H]([NH2+][C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1ccc(Cl)nc1 ZINC000184669899 822673403 /nfs/dbraw/zinc/67/34/03/822673403.db2.gz LZVNDPPSHAVDBQ-SWLSCSKDSA-N 1 0 397.828 4.206 20 0 GIADRO CC(C)c1csc([C@H]2CCCN(C(=O)NC3CC[NH+](C4CCC4)CC3)C2)n1 ZINC000455556897 822674431 /nfs/dbraw/zinc/67/44/31/822674431.db2.gz IGTIXVNUOYLJHL-INIZCTEOSA-N 1 0 390.597 4.172 20 0 GIADRO Cc1ccc(C[C@H](C)C(=O)N[C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)cc1 ZINC000180390258 822674466 /nfs/dbraw/zinc/67/44/66/822674466.db2.gz BCOXFLYJFMSHIB-SIKLNZKXSA-N 1 0 392.543 4.278 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(Br)cc1C(F)(F)F ZINC000180400062 822675496 /nfs/dbraw/zinc/67/54/96/822675496.db2.gz ZYBGEOQPBJMDRQ-LLVKDONJSA-N 1 0 393.247 4.072 20 0 GIADRO Cn1cc(CCC[NH2+][C@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)cn1 ZINC000180400401 822675804 /nfs/dbraw/zinc/67/58/04/822675804.db2.gz LYZHVDOUSOVWTR-JOCHJYFZSA-N 1 0 397.906 4.157 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)Nc1cc(F)cc(F)c1F ZINC000455569938 822676142 /nfs/dbraw/zinc/67/61/42/822676142.db2.gz ULSQGKGBDJXZBZ-AWEZNQCLSA-N 1 0 377.410 4.232 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)Nc2cc(OC)c(C)c(OC)c2)CC1 ZINC000455570963 822676496 /nfs/dbraw/zinc/67/64/96/822676496.db2.gz YZMSOJKMNVNALU-UHFFFAOYSA-N 1 0 391.556 4.378 20 0 GIADRO CCOc1ccc([C@@H]([NH2+][C@H]2CCc3nc(C)nn3C2)c2ccccc2Cl)cc1 ZINC000180408457 822676646 /nfs/dbraw/zinc/67/66/46/822676646.db2.gz LEDRLYONUAKPFQ-HTAPYJJXSA-N 1 0 396.922 4.333 20 0 GIADRO CC[C@H]([NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1)c1ccc2c(c1)OCCO2 ZINC000180409216 822676775 /nfs/dbraw/zinc/67/67/75/822676775.db2.gz ZNDSXIWMMOZPRG-NRFANRHFSA-N 1 0 394.515 4.325 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)N[C@H]2CCCOc3cc(Cl)ccc32)cc1 ZINC000180419011 822678402 /nfs/dbraw/zinc/67/84/02/822678402.db2.gz WYLWBMSJLUUVSL-IBGZPJMESA-N 1 0 387.911 4.115 20 0 GIADRO Cc1cc(NC(=O)C2CC[NH+](Cc3ccc(Oc4ccccc4)o3)CC2)no1 ZINC000180419136 822678437 /nfs/dbraw/zinc/67/84/37/822678437.db2.gz CTDRYSQASJBEHB-UHFFFAOYSA-N 1 0 381.432 4.219 20 0 GIADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N[C@H](c1ccccc1)C(F)F ZINC000455585343 822678799 /nfs/dbraw/zinc/67/87/99/822678799.db2.gz BXPDSODVTHRQCX-DOTOQJQBSA-N 1 0 379.476 4.191 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3ccc(Cl)nc3Cl)cc2)CC1 ZINC000180422382 822678887 /nfs/dbraw/zinc/67/88/87/822678887.db2.gz YIEDPARKDGXTOD-UHFFFAOYSA-N 1 0 393.318 4.171 20 0 GIADRO CC[C@@H](C)C(=O)Nc1cccc(C[NH2+][C@@H](C)c2cnc3cc(C)nn3c2C)c1 ZINC000180423430 822679004 /nfs/dbraw/zinc/67/90/04/822679004.db2.gz BSWJFPWCRVVKJW-ZBFHGGJFSA-N 1 0 379.508 4.182 20 0 GIADRO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]CCn1c(C)nc2ccccc21 ZINC000048709170 822679182 /nfs/dbraw/zinc/67/91/82/822679182.db2.gz JKQLMNAHMGNQDF-UHFFFAOYSA-N 1 0 395.457 4.215 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H](c3ccccc3)C3CC3)cc2)CC1 ZINC000180424598 822679419 /nfs/dbraw/zinc/67/94/19/822679419.db2.gz UFVGUIZVBMIYMX-HSZRJFAPSA-N 1 0 377.532 4.349 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000184705602 822679513 /nfs/dbraw/zinc/67/95/13/822679513.db2.gz QZVKPQJLZPQRDF-MSOLQXFVSA-N 1 0 388.433 4.120 20 0 GIADRO O=C(CC[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccs1)N1CCCCC1 ZINC000048745468 822680711 /nfs/dbraw/zinc/68/07/11/822680711.db2.gz JLLWJWXBFZHNAQ-UHFFFAOYSA-N 1 0 394.544 4.093 20 0 GIADRO C[C@H](C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)c1c(F)cccc1F ZINC000180432458 822680694 /nfs/dbraw/zinc/68/06/94/822680694.db2.gz XEJGEQPCYXBFHF-INIZCTEOSA-N 1 0 387.474 4.228 20 0 GIADRO Cc1nc(-c2ccccc2Br)sc1[C@@H](C)[NH2+]CCn1cccn1 ZINC000180434371 822681069 /nfs/dbraw/zinc/68/10/69/822681069.db2.gz JRBUJKFQVRDKIK-GFCCVEGCSA-N 1 0 391.338 4.428 20 0 GIADRO CC[C@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)c1ccccc1OCC(=O)NC ZINC000048749840 822681191 /nfs/dbraw/zinc/68/11/91/822681191.db2.gz VWGVTPVOJWLWEY-KRWDZBQOSA-N 1 0 380.410 4.071 20 0 GIADRO Cc1c(-c2cc(C[NH2+][C@H](C)c3ccc(OCC(F)(F)F)cc3)on2)cnn1C ZINC000184721225 822681842 /nfs/dbraw/zinc/68/18/42/822681842.db2.gz KAYKERXFLYCGNN-GFCCVEGCSA-N 1 0 394.397 4.175 20 0 GIADRO O=C(NCCC1CC(F)(F)C1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000455603158 822682542 /nfs/dbraw/zinc/68/25/42/822682542.db2.gz UNEQHRUQGLIDFQ-UHFFFAOYSA-N 1 0 391.506 4.120 20 0 GIADRO CCCCc1oc2ccccc2c1C[NH2+]Cc1cccc(OCC(=O)NC)c1 ZINC000048778879 822682674 /nfs/dbraw/zinc/68/26/74/822682674.db2.gz DAYYILZGWBZTFJ-UHFFFAOYSA-N 1 0 380.488 4.190 20 0 GIADRO C[N@H+](CCCCNC(=O)N1CCC[C@@H]1c1ccc(Br)cc1)C1CC1 ZINC000455606196 822683246 /nfs/dbraw/zinc/68/32/46/822683246.db2.gz HNDRGFKQGDIRFV-GOSISDBHSA-N 1 0 394.357 4.170 20 0 GIADRO COc1ccccc1SC[C@@H](C)C[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000180446867 822683588 /nfs/dbraw/zinc/68/35/88/822683588.db2.gz IPMMUEMUBALLKM-SFHVURJKSA-N 1 0 385.577 4.073 20 0 GIADRO Cc1c(-c2cc(C[NH2+][C@@H](C)c3cccc(OC(F)(F)F)c3)on2)cnn1C ZINC000184734087 822683697 /nfs/dbraw/zinc/68/36/97/822683697.db2.gz OBLDUWJVWYHZDW-NSHDSACASA-N 1 0 380.370 4.133 20 0 GIADRO C[C@H]([NH2+][C@H]1CCN(C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1)c1nccn1C ZINC000180447799 822683777 /nfs/dbraw/zinc/68/37/77/822683777.db2.gz BUVGYAGROQVCFP-DOPJRALCSA-N 1 0 378.923 4.477 20 0 GIADRO Cc1csc(Sc2ccc(NC(=O)N(C)CCC[NH+](C)C)c(C)c2)n1 ZINC000184736124 822683830 /nfs/dbraw/zinc/68/38/30/822683830.db2.gz LGVDIOACWPPQBQ-UHFFFAOYSA-N 1 0 378.567 4.327 20 0 GIADRO CC(=O)Nc1cccc(OCC[NH2+][C@H](C)c2ccccc2OC(F)(F)F)c1 ZINC000180450352 822684518 /nfs/dbraw/zinc/68/45/18/822684518.db2.gz JNJMJYKSXDQVSO-CYBMUJFWSA-N 1 0 382.382 4.273 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)C1(c2cccc(F)c2)CCC1 ZINC000180451829 822684911 /nfs/dbraw/zinc/68/49/11/822684911.db2.gz AYIAUZODKWCKLG-UHFFFAOYSA-N 1 0 395.522 4.408 20 0 GIADRO CCC[C@H]1C[C@@H](C(=O)N(c2cccc(SC)c2)C2CC[NH+](C)CC2)CCO1 ZINC000180453494 822685253 /nfs/dbraw/zinc/68/52/53/822685253.db2.gz HNWLXQOGLWERNF-PXNSSMCTSA-N 1 0 390.593 4.431 20 0 GIADRO COc1cc(C(=O)NNc2cc[nH+]cc2)ccc1OCc1ccc(Cl)cc1 ZINC000180456940 822685765 /nfs/dbraw/zinc/68/57/65/822685765.db2.gz FXRDNVQJAFLPFV-UHFFFAOYSA-N 1 0 383.835 4.080 20 0 GIADRO c1csc(-c2nn(-c3ccccc3)cc2CN2CCS[C@@H]3COCC[C@@H]32)c1 ZINC000180457988 822685837 /nfs/dbraw/zinc/68/58/37/822685837.db2.gz BFSHBHMPVUUTDW-AZUAARDMSA-N 1 0 397.569 4.307 20 0 GIADRO COc1cccc2[nH]cc(CC[NH2+]Cc3cc4cnn(C(C)C)c4nc3Cl)c21 ZINC000180462784 822686494 /nfs/dbraw/zinc/68/64/94/822686494.db2.gz BQPCZKSJARUJHV-UHFFFAOYSA-N 1 0 397.910 4.488 20 0 GIADRO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3cc(Cl)ccc3OC(F)(F)F)CC[C@H]21 ZINC000455634310 822687588 /nfs/dbraw/zinc/68/75/88/822687588.db2.gz DWPVTYFOFRCWSG-SMDDNHRTSA-N 1 0 391.821 4.187 20 0 GIADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3cc(Cl)ccc3OC(F)(F)F)CC[C@@H]21 ZINC000455634308 822687604 /nfs/dbraw/zinc/68/76/04/822687604.db2.gz DWPVTYFOFRCWSG-RISCZKNCSA-N 1 0 391.821 4.187 20 0 GIADRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)Cc2noc3ccccc23)C1 ZINC000048885809 822687809 /nfs/dbraw/zinc/68/78/09/822687809.db2.gz IRDJGTCVPTUHMM-ROUUACIJSA-N 1 0 391.515 4.165 20 0 GIADRO CC(C)(C)OC(=O)NCCCOC1CC[NH+](C/C=C/c2ccc(F)cc2)CC1 ZINC000180472791 822687994 /nfs/dbraw/zinc/68/79/94/822687994.db2.gz WMRNZMDUXBZGCK-GQCTYLIASA-N 1 0 392.515 4.235 20 0 GIADRO COc1ccc([C@@H]([NH2+]CC2CCN(C(C)=O)CC2)c2ccccc2Cl)cc1 ZINC000180478171 822688538 /nfs/dbraw/zinc/68/85/38/822688538.db2.gz GFDVTQWRWMSSQI-JOCHJYFZSA-N 1 0 386.923 4.286 20 0 GIADRO COc1ccc([C@H]([NH2+]CC2CCN(C(C)=O)CC2)c2ccccc2Cl)cc1 ZINC000180478152 822688575 /nfs/dbraw/zinc/68/85/75/822688575.db2.gz GFDVTQWRWMSSQI-QFIPXVFZSA-N 1 0 386.923 4.286 20 0 GIADRO CCC[C@@H](NC(=O)C(=O)Nc1cccc(C[NH+](CC)CC)c1)c1ccccc1 ZINC000048962779 822689552 /nfs/dbraw/zinc/68/95/52/822689552.db2.gz ITJGSTNXTXAZHI-OAQYLSRUSA-N 1 0 381.520 4.125 20 0 GIADRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CC(=O)N3CCC[C@@H](C)C3)s2)cc1 ZINC000184792995 822691886 /nfs/dbraw/zinc/69/18/86/822691886.db2.gz SZDMWUGPOKSABF-HUUCEWRRSA-N 1 0 387.549 4.036 20 0 GIADRO CC[NH+](CC)CC1CCN(C(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)CC1 ZINC000049076055 822692394 /nfs/dbraw/zinc/69/23/94/822692394.db2.gz QCRSWIBUZSMJQJ-UHFFFAOYSA-N 1 0 399.583 4.330 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+]Cc2cc(Br)ccc2OC)s1 ZINC000180504562 822692612 /nfs/dbraw/zinc/69/26/12/822692612.db2.gz WWMKKOIRRYQICO-NSHDSACASA-N 1 0 399.354 4.262 20 0 GIADRO Oc1ccc(Br)c(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)c1 ZINC000180507196 822693054 /nfs/dbraw/zinc/69/30/54/822693054.db2.gz QXYUCJWDRUAJMA-CJNGLKHVSA-N 1 0 382.323 4.304 20 0 GIADRO Cn1cc(C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2ccccc2)c(-c2ccncc2)n1 ZINC000180510591 822693959 /nfs/dbraw/zinc/69/39/59/822693959.db2.gz ZFBQBUWRNWUJCE-PKTZIBPZSA-N 1 0 390.531 4.350 20 0 GIADRO C[C@H]([NH2+]C(C)(C)CNC(=O)Nc1ccc([C@H]2CCOC2)cc1)c1ccccc1 ZINC000455663137 822694466 /nfs/dbraw/zinc/69/44/66/822694466.db2.gz LEOBMISYDFHPEL-PXNSSMCTSA-N 1 0 381.520 4.441 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CC[C@H](C)NC(=O)OC(C)(C)C ZINC000180520490 822695485 /nfs/dbraw/zinc/69/54/85/822695485.db2.gz OACZJVAKTFGMBX-KBPBESRZSA-N 1 0 390.553 4.467 20 0 GIADRO CCCN(C(=O)Nc1ccnn1CC[NH+](C)C)[C@@H](C)c1cc2ccccc2o1 ZINC000455673592 822697253 /nfs/dbraw/zinc/69/72/53/822697253.db2.gz YMFUTHIMXOHVCD-INIZCTEOSA-N 1 0 383.496 4.196 20 0 GIADRO Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+]CCc1cccc(C(N)=O)c1 ZINC000180532106 822697435 /nfs/dbraw/zinc/69/74/35/822697435.db2.gz SILBUIUIDNSZTN-ZDUSSCGKSA-N 1 0 383.492 4.250 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)Nc1ccc([C@H]2CCOC2)cc1 ZINC000455674058 822697459 /nfs/dbraw/zinc/69/74/59/822697459.db2.gz OUEKEPQBNOXVNI-NRFANRHFSA-N 1 0 381.520 4.352 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)c(C)c2)cc1)C(C)C ZINC000180533785 822697603 /nfs/dbraw/zinc/69/76/03/822697603.db2.gz AQUVCPSAIHYSSC-UHFFFAOYSA-N 1 0 395.547 4.314 20 0 GIADRO O=C(NNc1cc[nH+]cc1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000180535111 822697875 /nfs/dbraw/zinc/69/78/75/822697875.db2.gz RLPOYVLXYYHVPB-UHFFFAOYSA-N 1 0 397.822 4.012 20 0 GIADRO O=C(NNc1cc[nH+]cc1)c1ccc(Oc2cccc(Br)c2)cc1 ZINC000180539121 822698690 /nfs/dbraw/zinc/69/86/90/822698690.db2.gz INOVKHKUHQWLTO-UHFFFAOYSA-N 1 0 384.233 4.393 20 0 GIADRO CC(C)[C@H](NC(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)c1ccccc1 ZINC000049330148 822699063 /nfs/dbraw/zinc/69/90/63/822699063.db2.gz VFHOZIITADUJEN-QFIPXVFZSA-N 1 0 393.531 4.125 20 0 GIADRO Cc1ccc(-c2cncc(C(=O)NCC3CCN(c4cc[nH+]cc4)CC3)c2)cc1 ZINC000180548280 822700202 /nfs/dbraw/zinc/70/02/02/822700202.db2.gz BSKRISHNHVXCSD-UHFFFAOYSA-N 1 0 386.499 4.098 20 0 GIADRO CC(=O)c1cccc(OC[C@H](O)C[NH2+][C@@H](CC(F)(F)F)c2ccc(F)cc2)c1 ZINC000180559104 822702256 /nfs/dbraw/zinc/70/22/56/822702256.db2.gz FVORDNWGYMZJLG-MJGOQNOKSA-N 1 0 399.384 4.051 20 0 GIADRO CCc1noc(-c2ccc(CC[NH2+][C@@H](C)c3ccc(OC)c(COC)c3)cc2)n1 ZINC000180561594 822702921 /nfs/dbraw/zinc/70/29/21/822702921.db2.gz WWGNMFZYHYESEN-INIZCTEOSA-N 1 0 395.503 4.347 20 0 GIADRO CCC[C@@H]1C[C@@H](C(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CCO1 ZINC000180566545 822703746 /nfs/dbraw/zinc/70/37/46/822703746.db2.gz DOWOOILKFLNWHO-MIALQEHNSA-N 1 0 396.934 4.183 20 0 GIADRO Cn1cc([C@H]([NH2+]C[C@H](O)c2cc(Cl)cc(Cl)c2)c2cccc(F)c2)cn1 ZINC000180573455 822704628 /nfs/dbraw/zinc/70/46/28/822704628.db2.gz WWJOVZTYULGNSN-RBUKOAKNSA-N 1 0 394.277 4.279 20 0 GIADRO COc1ccc([C@H]([NH2+]C[C@@H](O)c2cc(OC)cc(OC)c2)c2ccccc2)cc1 ZINC000180572751 822704709 /nfs/dbraw/zinc/70/47/09/822704709.db2.gz KOTIBZQSLCPUPG-DNQXCXABSA-N 1 0 393.483 4.125 20 0 GIADRO CC(C)(C)[NH+]1CCC(NC(=O)N[C@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000180574886 822704970 /nfs/dbraw/zinc/70/49/70/822704970.db2.gz LHANGRVDZIDQKE-KRWDZBQOSA-N 1 0 379.932 4.116 20 0 GIADRO CC(C)(C)[NH+]1CCC(NC(=O)N[C@@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000180574998 822704994 /nfs/dbraw/zinc/70/49/94/822704994.db2.gz FIAAAZCRCLLFJU-QGZVFWFLSA-N 1 0 379.932 4.116 20 0 GIADRO Fc1ccc(C(NC2CC[NH+](C[C@H]3CCOC3)CC2)c2ccc(F)cc2)cc1 ZINC000180576387 822705381 /nfs/dbraw/zinc/70/53/81/822705381.db2.gz LVNFHBMWPIZMFN-QGZVFWFLSA-N 1 0 386.486 4.145 20 0 GIADRO C[NH+](C)CCCC1CCN(C(=O)Nc2cc(F)ccc2Br)CC1 ZINC000180579143 822705703 /nfs/dbraw/zinc/70/57/03/822705703.db2.gz YVTGCPUGAYTXAC-UHFFFAOYSA-N 1 0 386.309 4.174 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc(Br)c(Cl)c2Cl)C1 ZINC000184877727 822705788 /nfs/dbraw/zinc/70/57/88/822705788.db2.gz LTFOBEMEFGWBOL-SECBINFHSA-N 1 0 395.128 4.219 20 0 GIADRO COC(=O)c1cc2cccc(NC(=O)NC3CC[NH+](C(C)(C)C)CC3)c2s1 ZINC000455705717 822708016 /nfs/dbraw/zinc/70/80/16/822708016.db2.gz CYVCOHKFUZXLOA-UHFFFAOYSA-N 1 0 389.521 4.072 20 0 GIADRO CC(C)(C)OC(=O)NC1CCC([NH2+]Cc2nc(C(F)(F)F)cs2)CC1 ZINC000180597851 822708342 /nfs/dbraw/zinc/70/83/42/822708342.db2.gz WTPWWPGDVRYYGK-UHFFFAOYSA-N 1 0 379.448 4.087 20 0 GIADRO COc1cc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c(SC)cc1OC ZINC000180601113 822709075 /nfs/dbraw/zinc/70/90/75/822709075.db2.gz JYHWYMHMKMRTOY-HOTGVXAUSA-N 1 0 377.506 4.107 20 0 GIADRO CCN(Cc1ccccc1)C(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000049790136 822709501 /nfs/dbraw/zinc/70/95/01/822709501.db2.gz JETJVJMMPVLQTE-NRFANRHFSA-N 1 0 381.520 4.064 20 0 GIADRO C[C@@H]([NH2+]C[C@H](O)c1ccccc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000180605532 822710574 /nfs/dbraw/zinc/71/05/74/822710574.db2.gz JXUFQLGLFUQNNM-ZHRRBRCNSA-N 1 0 378.447 4.462 20 0 GIADRO C[C@@H]([NH2+]CCC(=O)NC1CCCC1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000180609637 822711782 /nfs/dbraw/zinc/71/17/82/822711782.db2.gz WRUNYLPWZZARAZ-MRXNPFEDSA-N 1 0 397.494 4.178 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)N(Cc3ccccc3)C3CC3)c2)CC1 ZINC000184911948 822712227 /nfs/dbraw/zinc/71/22/27/822712227.db2.gz GDFKQYUPVXXCNW-UHFFFAOYSA-N 1 0 378.520 4.025 20 0 GIADRO C[C@H](C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)c1cn(C)c2ccccc12 ZINC000184922634 822713481 /nfs/dbraw/zinc/71/34/81/822713481.db2.gz DFKBIZSRUOSLAY-JXFKEZNVSA-N 1 0 381.545 4.297 20 0 GIADRO O=C(Nc1ccccc1OCCF)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000455721776 822713597 /nfs/dbraw/zinc/71/35/97/822713597.db2.gz YYPKPTLAHFTXHE-GOSISDBHSA-N 1 0 377.504 4.155 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)N(Cc3ccco3)C3CCCC3)c2)CC1 ZINC000184923978 822713763 /nfs/dbraw/zinc/71/37/63/822713763.db2.gz MPTNIKIUAPUWAW-UHFFFAOYSA-N 1 0 396.535 4.398 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc(Cl)c2ccccc21)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000184925393 822714166 /nfs/dbraw/zinc/71/41/66/822714166.db2.gz OZZAHDUUABRBDG-ZIAGYGMSSA-N 1 0 395.890 4.270 20 0 GIADRO C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000184926315 822714196 /nfs/dbraw/zinc/71/41/96/822714196.db2.gz FEAIPCOXFOMQFY-INIZCTEOSA-N 1 0 376.928 4.026 20 0 GIADRO COCc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000184925677 822714274 /nfs/dbraw/zinc/71/42/74/822714274.db2.gz SUMZMSCCJNJAHH-FGZHOGPDSA-N 1 0 387.545 4.016 20 0 GIADRO CC[C@@H]([NH2+]Cc1ccc(SC(=O)N(C)C)cc1)c1ccc2c(c1)OCCO2 ZINC000180621267 822714360 /nfs/dbraw/zinc/71/43/60/822714360.db2.gz LFFJQRBNUYJNES-GOSISDBHSA-N 1 0 386.517 4.472 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)N(C)[C@H](C)c3ccc(OC)cc3)c2)CC1 ZINC000184928403 822714741 /nfs/dbraw/zinc/71/47/41/822714741.db2.gz YIACZBZBGQDPJH-GOSISDBHSA-N 1 0 396.535 4.062 20 0 GIADRO C[C@@H](NC(=O)Nc1ccccc1OCCF)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000455727316 822715135 /nfs/dbraw/zinc/71/51/35/822715135.db2.gz WIFXEUMJFWFBSO-MJGOQNOKSA-N 1 0 385.483 4.067 20 0 GIADRO CSc1cccc(C)c1NC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000184952066 822717696 /nfs/dbraw/zinc/71/76/96/822717696.db2.gz FMQXXLPCKQVXML-IBGZPJMESA-N 1 0 383.561 4.403 20 0 GIADRO Cc1ccc(F)c(Br)c1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000455743184 822718135 /nfs/dbraw/zinc/71/81/35/822718135.db2.gz CJYOCWFTUWRIHS-YHWZYXNKSA-N 1 0 384.293 4.033 20 0 GIADRO Cc1cc2ccccc2c(NC(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000455743920 822718289 /nfs/dbraw/zinc/71/82/89/822718289.db2.gz PUCGPPTWWZJWPU-UHFFFAOYSA-N 1 0 394.563 4.030 20 0 GIADRO Cc1ccc(F)c(Br)c1NC(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000455744237 822718434 /nfs/dbraw/zinc/71/84/34/822718434.db2.gz DSKDREVMHIIIDU-ZDUSSCGKSA-N 1 0 386.309 4.283 20 0 GIADRO Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCN(CC(F)(F)F)C1=O ZINC000184965146 822719314 /nfs/dbraw/zinc/71/93/14/822719314.db2.gz RBPHUJFXHIUBOP-HZPDHXFCSA-N 1 0 382.451 4.093 20 0 GIADRO COc1ccc(NC(=O)C[NH2+][C@@H](Cc2ccccc2)c2cccs2)c(OC)c1 ZINC000184967870 822719656 /nfs/dbraw/zinc/71/96/56/822719656.db2.gz HJMOISJVDWCSPX-IBGZPJMESA-N 1 0 396.512 4.277 20 0 GIADRO CC(C)c1nnc(NC(=O)C[NH2+][C@H](Cc2ccccc2)c2cccs2)s1 ZINC000184969943 822719810 /nfs/dbraw/zinc/71/98/10/822719810.db2.gz QMUNFGCCGUQRLF-OAHLLOKOSA-N 1 0 386.546 4.235 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2c(C)ccc(F)c2Br)C1 ZINC000455756753 822720471 /nfs/dbraw/zinc/72/04/71/822720471.db2.gz SVMYMXBZFBEUHS-CYBMUJFWSA-N 1 0 386.309 4.092 20 0 GIADRO Cc1cc([C@H]2CCCN2C(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)no1 ZINC000050156522 822720533 /nfs/dbraw/zinc/72/05/33/822720533.db2.gz UMFZHXJYBKQIRU-FGZHOGPDSA-N 1 0 396.535 4.303 20 0 GIADRO Cc1cc([C@@H]2CCCN2C(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)no1 ZINC000050156519 822720591 /nfs/dbraw/zinc/72/05/91/822720591.db2.gz UMFZHXJYBKQIRU-VXKWHMMOSA-N 1 0 396.535 4.303 20 0 GIADRO C[C@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1cn(C)c2ccccc12 ZINC000184985315 822721879 /nfs/dbraw/zinc/72/18/79/822721879.db2.gz PAKDXAUEKCNXJP-SFHVURJKSA-N 1 0 375.516 4.194 20 0 GIADRO Cc1ccc([C@H](CNC(=O)N(C)C[C@@H](C)c2nccs2)[NH+]2CCCC2)cc1 ZINC000184986547 822722200 /nfs/dbraw/zinc/72/22/00/822722200.db2.gz ZFAXZEZFFXJJIQ-MJGOQNOKSA-N 1 0 386.565 4.034 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3c(C)oc4ccccc43)c(C)c2)CC1 ZINC000184991900 822722865 /nfs/dbraw/zinc/72/28/65/822722865.db2.gz AXGLHQQGEAHFFE-UHFFFAOYSA-N 1 0 377.488 4.444 20 0 GIADRO Cc1nc(C)c([C@H](C)[NH2+][C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)s1 ZINC000184995827 822723208 /nfs/dbraw/zinc/72/32/08/822723208.db2.gz BJCUMRQLGVZGAE-SMDDNHRTSA-N 1 0 383.439 4.235 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1scnc1C1CCCC1 ZINC000185007730 822724631 /nfs/dbraw/zinc/72/46/31/822724631.db2.gz TZMTWLYYDSIASE-SFHVURJKSA-N 1 0 383.561 4.395 20 0 GIADRO CC(C)Oc1cccc(NC(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)c1 ZINC000455778710 822725081 /nfs/dbraw/zinc/72/50/81/822725081.db2.gz HNUSUQCTRKKQGA-UHFFFAOYSA-N 1 0 397.519 4.269 20 0 GIADRO CC(C)Oc1cccc(NC(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000455779001 822725140 /nfs/dbraw/zinc/72/51/40/822725140.db2.gz IDZNUAQKFQYSGL-NHCUHLMSSA-N 1 0 393.531 4.460 20 0 GIADRO Cn1cc(-c2cc(C[NH+]3CCC(c4nc5cc(Cl)ccc5o4)CC3)on2)cn1 ZINC000185029796 822727141 /nfs/dbraw/zinc/72/71/41/822727141.db2.gz GAPBBQHMJRMQSZ-UHFFFAOYSA-N 1 0 397.866 4.249 20 0 GIADRO CC[C@H](C)n1c2ccc(NC(=O)N3CC[C@@H]([NH+](C)C)C3)cc2nc1C(F)(F)F ZINC000455797818 822728551 /nfs/dbraw/zinc/72/85/51/822728551.db2.gz RARZVRLUCYSEBE-GXTWGEPZSA-N 1 0 397.445 4.194 20 0 GIADRO CC(C)Oc1cccc(NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000455806109 822729677 /nfs/dbraw/zinc/72/96/77/822729677.db2.gz LDEJZIYLHRUSOF-UHFFFAOYSA-N 1 0 387.446 4.354 20 0 GIADRO CCCn1ncc(NC(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)c1C1CC1 ZINC000455820153 822731962 /nfs/dbraw/zinc/73/19/62/822731962.db2.gz BBBWSMNCPWFZET-IBGZPJMESA-N 1 0 375.561 4.049 20 0 GIADRO CC(C)c1ncsc1NC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000455839871 822734943 /nfs/dbraw/zinc/73/49/43/822734943.db2.gz DHOSHLLXYTTYAT-UHFFFAOYSA-N 1 0 386.565 4.439 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCc3c(F)cc(F)c(F)c3F)ccc21 ZINC000455840181 822735077 /nfs/dbraw/zinc/73/50/77/822735077.db2.gz DBHPECGGQMMXER-MRXNPFEDSA-N 1 0 381.373 4.114 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCc3sccc3Br)ccc21 ZINC000455841658 822735423 /nfs/dbraw/zinc/73/54/23/822735423.db2.gz DXIFBWPUBMELAD-OAHLLOKOSA-N 1 0 394.338 4.381 20 0 GIADRO CCCCn1cc(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)c(C)n1 ZINC000185098023 822736676 /nfs/dbraw/zinc/73/66/76/822736676.db2.gz KSGBENHNAVCLNN-UHFFFAOYSA-N 1 0 386.565 4.101 20 0 GIADRO Cn1c(CNC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)nc2cccc(Cl)c21 ZINC000455851937 822737028 /nfs/dbraw/zinc/73/70/28/822737028.db2.gz LQBHBOJLMXFXHJ-SFHVURJKSA-N 1 0 397.910 4.097 20 0 GIADRO C[C@@H]([NH2+]C1CCN(c2ccccc2)CC1)c1cc(Br)ccc1O ZINC000185104146 822737678 /nfs/dbraw/zinc/73/76/78/822737678.db2.gz JGLKLAJVFWDYMK-CQSZACIVSA-N 1 0 375.310 4.474 20 0 GIADRO COC[C@H](NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)c1cccc(Cl)c1 ZINC000455858277 822738269 /nfs/dbraw/zinc/73/82/69/822738269.db2.gz PGSYMOYUVMYXSF-PMACEKPBSA-N 1 0 387.911 4.398 20 0 GIADRO CCc1ccc([C@@H]2CN(C(=O)Nc3ccc4c(c3)CC[C@@H]4[NH+](C)C)CCO2)cc1 ZINC000455859787 822738507 /nfs/dbraw/zinc/73/85/07/822738507.db2.gz PYAOKNFAETVMHZ-GOTSBHOMSA-N 1 0 393.531 4.403 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCO[C@@H](c4ccc(Cl)cc4)C3)ccc21 ZINC000455865135 822739227 /nfs/dbraw/zinc/73/92/27/822739227.db2.gz TZMVMNWNSDPYPO-NHCUHLMSSA-N 1 0 399.922 4.494 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)NCc3c(F)cccc3OC(F)F)ccc21 ZINC000455865165 822739248 /nfs/dbraw/zinc/73/92/48/822739248.db2.gz UCFCGOHSFWQORI-KRWDZBQOSA-N 1 0 393.409 4.298 20 0 GIADRO C[C@@H](c1ccsc1)N1CCN(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC1 ZINC000455867952 822739717 /nfs/dbraw/zinc/73/97/17/822739717.db2.gz VSBADEKUKJHQSN-HRAATJIYSA-N 1 0 398.576 4.208 20 0 GIADRO CCCN(CCc1cccs1)C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185129513 822740618 /nfs/dbraw/zinc/74/06/18/822740618.db2.gz PGKOHWDHLQXCDF-ROUUACIJSA-N 1 0 377.598 4.365 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(-n2ccnc2)c(F)c1)c1ccc(Br)cc1O ZINC000185134495 822741311 /nfs/dbraw/zinc/74/13/11/822741311.db2.gz FOQKRAKDIVAPSQ-LBPRGKRZSA-N 1 0 390.256 4.330 20 0 GIADRO C[C@@H]([NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1)c1cc(Cl)ccc1O ZINC000185137060 822741630 /nfs/dbraw/zinc/74/16/30/822741630.db2.gz KJFPYIPTPLUWQU-CQSZACIVSA-N 1 0 389.879 4.173 20 0 GIADRO CCOc1ccc(Oc2cc(CNCc3c[nH+]ccc3N(C)C)ccn2)cc1 ZINC000185142068 822742221 /nfs/dbraw/zinc/74/22/21/822742221.db2.gz PGONQKBFBVWGPZ-UHFFFAOYSA-N 1 0 378.476 4.023 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc3c(n2)CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000455884132 822742188 /nfs/dbraw/zinc/74/21/88/822742188.db2.gz MLMUHTTUDVPWBX-XLIONFOSSA-N 1 0 378.520 4.087 20 0 GIADRO Cc1nc(NC(=O)N2CCC[C@@H](c3ncc[nH]3)C2)sc1Cc1cccc(F)c1 ZINC000455886571 822742590 /nfs/dbraw/zinc/74/25/90/822742590.db2.gz HLVBWOSGXOLCDO-OAHLLOKOSA-N 1 0 399.495 4.316 20 0 GIADRO C[N@@H+](Cc1ccccc1Br)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000185150699 822743142 /nfs/dbraw/zinc/74/31/42/822743142.db2.gz ALBLJSVRRFQLQY-UHFFFAOYSA-N 1 0 381.358 4.166 20 0 GIADRO CCCCCNC(=O)C1CC[NH+](Cc2ccc(OCc3cccnc3)cc2)CC1 ZINC000050960181 822743290 /nfs/dbraw/zinc/74/32/90/822743290.db2.gz IAQKQUBKWHMOEB-UHFFFAOYSA-N 1 0 395.547 4.179 20 0 GIADRO Cc1nc2ccccc2n1CCCNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455892953 822743679 /nfs/dbraw/zinc/74/36/79/822743679.db2.gz CCCZOESFIBXWSX-NRFANRHFSA-N 1 0 391.519 4.105 20 0 GIADRO Cc1cc(NC(=O)c2ccc([C@@H](C)C(F)(F)F)cc2)n(C2CC[NH+](C)CC2)n1 ZINC000455896372 822744343 /nfs/dbraw/zinc/74/43/43/822744343.db2.gz KSRDIIGQYFBEPQ-CQSZACIVSA-N 1 0 394.441 4.376 20 0 GIADRO Cc1nc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)sc1Cc1cccc(F)c1 ZINC000455899612 822744833 /nfs/dbraw/zinc/74/48/33/822744833.db2.gz SWKRPVGVWQJYQY-GUYCJALGSA-N 1 0 390.528 4.128 20 0 GIADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2c(C)oc3ccccc32)c1 ZINC000185166871 822744959 /nfs/dbraw/zinc/74/49/59/822744959.db2.gz ZXQAGEHYIDRHCJ-UHFFFAOYSA-N 1 0 393.487 4.065 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCCCc3c[nH]c4ccccc34)ccc21 ZINC000455907171 822746571 /nfs/dbraw/zinc/74/65/71/822746571.db2.gz ICGVSIYTTXVSHO-JOCHJYFZSA-N 1 0 376.504 4.471 20 0 GIADRO C[N@@H+](CC(=O)N(Cc1ccccc1)C1CC1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051131998 822747111 /nfs/dbraw/zinc/74/71/11/822747111.db2.gz GQBFXFKXNAYUIB-RCZVLFRGSA-N 1 0 392.543 4.277 20 0 GIADRO C[C@H](C(=O)N1CCc2sccc2C1)[N@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132530 822747175 /nfs/dbraw/zinc/74/71/75/822747175.db2.gz BZAXUYGCFXPFJS-PIPMEXSNSA-N 1 0 398.572 4.121 20 0 GIADRO COc1ccc(-c2nnc(C[N@H+](C)C[C@H]3CCCO[C@@H]3c3ccccc3)o2)cc1 ZINC000051132798 822747300 /nfs/dbraw/zinc/74/73/00/822747300.db2.gz VHRUAPABCSFHTR-DENIHFKCSA-N 1 0 393.487 4.345 20 0 GIADRO C[C@H](C(=O)NCCC1=CCCCC1)[N@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133002 822747447 /nfs/dbraw/zinc/74/74/47/822747447.db2.gz TXMNDXONXMZHAU-WTIAFYNJSA-N 1 0 384.564 4.481 20 0 GIADRO C[N@@H+](CC(=O)NCc1cccc(Cl)c1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133217 822747475 /nfs/dbraw/zinc/74/74/75/822747475.db2.gz XYXJRFZDCYMXJW-SIKLNZKXSA-N 1 0 386.923 4.056 20 0 GIADRO CSc1cccc(NC(=O)C[N@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)c1 ZINC000051133757 822747739 /nfs/dbraw/zinc/74/77/39/822747739.db2.gz QXYIBMBQCWONJA-PGRDOPGGSA-N 1 0 384.545 4.447 20 0 GIADRO C[C@H](NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)c1cccc(-n2ccnc2)c1 ZINC000455915539 822748496 /nfs/dbraw/zinc/74/84/96/822748496.db2.gz KERWJLPZVACDBM-KSFYIVLOSA-N 1 0 389.503 4.304 20 0 GIADRO CC[C@H]([NH2+]Cc1ccnc(N2CCCC2)c1)c1cc(Br)ccc1O ZINC000185207617 822749519 /nfs/dbraw/zinc/74/95/19/822749519.db2.gz OHNSLXQJCRGMPS-KRWDZBQOSA-N 1 0 390.325 4.391 20 0 GIADRO O[C@H]1Cc2ccccc2[C@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000051188158 822749939 /nfs/dbraw/zinc/74/99/39/822749939.db2.gz JLIWGOMJXRFXPU-UKILVPOCSA-N 1 0 381.479 4.287 20 0 GIADRO C[C@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455931757 822751781 /nfs/dbraw/zinc/75/17/81/822751781.db2.gz PNNQMBVPOXKCCQ-PDXHDDNESA-N 1 0 379.504 4.091 20 0 GIADRO CC(C)c1ncsc1NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000455932663 822752180 /nfs/dbraw/zinc/75/21/80/822752180.db2.gz USXOXUUHZGFLOD-UHFFFAOYSA-N 1 0 378.464 4.147 20 0 GIADRO C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185232195 822752592 /nfs/dbraw/zinc/75/25/92/822752592.db2.gz CWISCUXDJHFWIJ-CYBMUJFWSA-N 1 0 383.319 4.490 20 0 GIADRO CC[C@H](NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)c1ccc2c(c1)OCCO2 ZINC000455935065 822752602 /nfs/dbraw/zinc/75/26/02/822752602.db2.gz RGDDHXJUYDXFTG-VQTJNVASSA-N 1 0 395.503 4.280 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@]1(Cc2cccc(Cl)c2)CCOC1 ZINC000455939136 822753483 /nfs/dbraw/zinc/75/34/83/822753483.db2.gz ZLWXKHMHAFNICX-JOCHJYFZSA-N 1 0 386.923 4.298 20 0 GIADRO Cc1ccc([C@H](CNC(=O)[C@@H](C)c2cn(C)c3ccccc23)[NH+]2CCCC2)o1 ZINC000185246432 822754202 /nfs/dbraw/zinc/75/42/02/822754202.db2.gz MOKGBKSQIJOHLW-UWJYYQICSA-N 1 0 379.504 4.137 20 0 GIADRO O=C(c1ccccc1)C1CC[NH+](C[C@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000051287910 822754518 /nfs/dbraw/zinc/75/45/18/822754518.db2.gz QKQMPNITIRQLSS-IBGZPJMESA-N 1 0 377.406 4.334 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)NCc2cccc(OC(F)F)c2)cc1 ZINC000051303953 822755102 /nfs/dbraw/zinc/75/51/02/822755102.db2.gz ATCOGVUPAGLSMK-UHFFFAOYSA-N 1 0 391.462 4.129 20 0 GIADRO Cc1cccc2c1[nH+]cc(C)c2N1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000185255284 822755413 /nfs/dbraw/zinc/75/54/13/822755413.db2.gz KMQBDFIILDLUOO-UHFFFAOYSA-N 1 0 375.472 4.412 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)N2CC[C@@H]3CCC[C@H]32)CC1 ZINC000455945446 822755407 /nfs/dbraw/zinc/75/54/07/822755407.db2.gz OIHQGVCOTFDWPG-KBXCAEBGSA-N 1 0 377.916 4.219 20 0 GIADRO CCOc1cc(C[N@H+](C)C[C@H](O)c2ccc(F)cc2F)ccc1OC(F)F ZINC000051323836 822755992 /nfs/dbraw/zinc/75/59/92/822755992.db2.gz AINGOXNCVAYNEL-INIZCTEOSA-N 1 0 387.373 4.130 20 0 GIADRO C[C@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)c1cc2cc(Cl)ccc2o1 ZINC000185269061 822757277 /nfs/dbraw/zinc/75/72/77/822757277.db2.gz CLNXIXHEWQEJNP-ZDUSSCGKSA-N 1 0 389.858 4.308 20 0 GIADRO C[N@@H+](Cc1ccc(Br)o1)C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000051351467 822757384 /nfs/dbraw/zinc/75/73/84/822757384.db2.gz NVJQZIGLKVIGCN-CYBMUJFWSA-N 1 0 378.188 4.226 20 0 GIADRO C[C@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)c1ccc(Cl)c(Cl)c1 ZINC000185271813 822757735 /nfs/dbraw/zinc/75/77/35/822757735.db2.gz IOAODTHJTPUIPI-LBPRGKRZSA-N 1 0 384.282 4.215 20 0 GIADRO O=C(Nc1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)c1)c1ccncc1 ZINC000185278894 822758736 /nfs/dbraw/zinc/75/87/36/822758736.db2.gz ONPDSFWZZRCNDE-UHFFFAOYSA-N 1 0 396.834 4.185 20 0 GIADRO COc1ccc(C[C@H](C)C[NH2+]Cc2ccc(Cn3ccccc3=O)cc2)cc1F ZINC000185279576 822758741 /nfs/dbraw/zinc/75/87/41/822758741.db2.gz OVQRPGFQVLHVQF-SFHVURJKSA-N 1 0 394.490 4.013 20 0 GIADRO COc1ccccc1[C@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)C1CCCC1 ZINC000185281065 822758925 /nfs/dbraw/zinc/75/89/25/822758925.db2.gz HPLQBTBUCFAJKO-JOCHJYFZSA-N 1 0 399.510 4.087 20 0 GIADRO Cc1cccc2c1[nH+]cc(C)c2N1CCC(C(=O)NCCc2cccs2)CC1 ZINC000185282633 822759217 /nfs/dbraw/zinc/75/92/17/822759217.db2.gz FRLLJYLQXRXHOF-UHFFFAOYSA-N 1 0 393.556 4.488 20 0 GIADRO Cc1cnc([C@@H]([NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)C2CC2)s1 ZINC000185286651 822759823 /nfs/dbraw/zinc/75/98/23/822759823.db2.gz FKUBDAAQCOQGCN-BBRMVZONSA-N 1 0 387.332 4.239 20 0 GIADRO COCCC(C)(C)C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000185286518 822759831 /nfs/dbraw/zinc/75/98/31/822759831.db2.gz MUWPRBGMCRGIBI-UHFFFAOYSA-N 1 0 378.520 4.146 20 0 GIADRO Cc1c2ccccc2oc1[C@H](C)[NH2+]Cc1cccc(N2CCCS2(=O)=O)c1 ZINC000185292121 822760517 /nfs/dbraw/zinc/76/05/17/822760517.db2.gz IQNDKMPHFMOBMM-INIZCTEOSA-N 1 0 384.501 4.132 20 0 GIADRO CC(C)(C)C[C@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)c1ccccc1 ZINC000185292515 822760563 /nfs/dbraw/zinc/76/05/63/822760563.db2.gz OAOVQFDDXKZHTQ-NRFANRHFSA-N 1 0 386.561 4.494 20 0 GIADRO Cc1cc(C(=O)NC2CCN(c3c(C)c[nH+]c4c(C)cccc43)CC2)c(C)o1 ZINC000185293628 822760871 /nfs/dbraw/zinc/76/08/71/822760871.db2.gz MDHKZBMYMSXEGM-UHFFFAOYSA-N 1 0 377.488 4.460 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)c1ccc(-c2ccccc2)o1 ZINC000185294684 822760943 /nfs/dbraw/zinc/76/09/43/822760943.db2.gz FKQHQJSYEZOMPU-QGZVFWFLSA-N 1 0 396.512 4.337 20 0 GIADRO Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000174275706 822761221 /nfs/dbraw/zinc/76/12/21/822761221.db2.gz BEKVANYTIWMWOD-LEWJYISDSA-N 1 0 397.588 4.468 20 0 GIADRO C[C@@H]([NH2+]C[C@@](C)(O)c1cccc(Cl)c1)c1ccc(OCc2nccn2C)cc1 ZINC000185310651 822763747 /nfs/dbraw/zinc/76/37/47/822763747.db2.gz HHNWDTXVKHUPAO-OPAMFIHVSA-N 1 0 399.922 4.211 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NCc3ccc([N+](=O)[O-])c(Cl)c3)cc2)CC1 ZINC000185312938 822763848 /nfs/dbraw/zinc/76/38/48/822763848.db2.gz UJTMFFWWMCGNTI-UHFFFAOYSA-N 1 0 388.899 4.391 20 0 GIADRO Cc1csc([C@@H](NC(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C2CC2)n1 ZINC000174292650 822764752 /nfs/dbraw/zinc/76/47/52/822764752.db2.gz OVWAWJBOZUYOHB-UXHICEINSA-N 1 0 398.576 4.209 20 0 GIADRO CC(C)[NH+]1CCC(N[C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000174296208 822765906 /nfs/dbraw/zinc/76/59/06/822765906.db2.gz CEAYRMMTFQCJRS-GOSISDBHSA-N 1 0 381.520 4.268 20 0 GIADRO C[NH+]1CCC([C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000456011892 822766168 /nfs/dbraw/zinc/76/61/68/822766168.db2.gz WQHNVRPCCWJVPV-YESZJQIVSA-N 1 0 381.347 4.287 20 0 GIADRO C[C@H](c1ccc(C(=O)N[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)cc1)C(F)(F)F ZINC000456014537 822766530 /nfs/dbraw/zinc/76/65/30/822766530.db2.gz ZJHAQTAXYIJSGV-ZMYBRWDISA-N 1 0 376.422 4.180 20 0 GIADRO Cc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c(C2CC2)n1 ZINC000456017315 822767032 /nfs/dbraw/zinc/76/70/32/822767032.db2.gz QFXTZPRFYWAQCP-JTHBVZDNSA-N 1 0 389.543 4.394 20 0 GIADRO Cc1[nH+]c2c(n1[C@H]1CCN(C(=O)[C@@H]3C[C@H]3c3cccc(Cl)c3)C1)CCCC2 ZINC000456024024 822768033 /nfs/dbraw/zinc/76/80/33/822768033.db2.gz OPWLIBGKGXYCJD-GBESFXJTSA-N 1 0 383.923 4.301 20 0 GIADRO Cc1ccc(C(=O)Nc2cccc(N3CC[NH+](C(C)C)CC3)c2)c(C2CC2)n1 ZINC000456027853 822768362 /nfs/dbraw/zinc/76/83/62/822768362.db2.gz YTEDCTNZWZBLQS-UHFFFAOYSA-N 1 0 378.520 4.050 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)N[C@H](CCO)c1ccco1)C1CCCCC1 ZINC000185351184 822769772 /nfs/dbraw/zinc/76/97/72/822769772.db2.gz LOILPNHPVZVWBV-HXUWFJFHSA-N 1 0 385.508 4.289 20 0 GIADRO CCO[C@H](CCNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(C)C ZINC000174324792 822771075 /nfs/dbraw/zinc/77/10/75/822771075.db2.gz AREKBDWYTVXAQE-BAGYTPMASA-N 1 0 389.584 4.132 20 0 GIADRO CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(Br)c2)c2ccc(F)cc2C1 ZINC000185360798 822771470 /nfs/dbraw/zinc/77/14/70/822771470.db2.gz UZQYHBJFIQUURP-LJQANCHMSA-N 1 0 391.284 4.171 20 0 GIADRO Cc1ccc(Oc2ccccc2CC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000456062466 822772905 /nfs/dbraw/zinc/77/29/05/822772905.db2.gz RPKKYWDWXICOEI-WCRBZPEASA-N 1 0 378.516 4.413 20 0 GIADRO C[N@H+](CC(=O)N1CCC(OCc2ccccc2)CC1)[C@H]1CCCc2ccccc21 ZINC000051684630 822773687 /nfs/dbraw/zinc/77/36/87/822773687.db2.gz LGAYFMACYBKGQJ-DEOSSOPVSA-N 1 0 392.543 4.204 20 0 GIADRO CC(C)[NH2+]C1CCN(C(=O)NCC[C@H](C)c2cccc(C(F)(F)F)c2)CC1 ZINC000174363729 822778295 /nfs/dbraw/zinc/77/82/95/822778295.db2.gz RMZOQYMKIOETHE-HNNXBMFYSA-N 1 0 385.474 4.371 20 0 GIADRO C[C@H](CCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(C(F)(F)F)c1 ZINC000174363954 822778304 /nfs/dbraw/zinc/77/83/04/822778304.db2.gz OJWJASPWAUDSMR-OLMNPRSZSA-N 1 0 383.458 4.077 20 0 GIADRO CSc1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cccn2)cc1 ZINC000174367789 822779005 /nfs/dbraw/zinc/77/90/05/822779005.db2.gz SJMZSATZOUIFMY-HZPDHXFCSA-N 1 0 380.517 4.272 20 0 GIADRO C[C@@H]([NH2+]Cc1cc(=O)oc2cc3c(cc12)CCC3)c1ccc(-n2cccn2)cc1 ZINC000174371690 822779656 /nfs/dbraw/zinc/77/96/56/822779656.db2.gz QBCMGTOQXVMWLT-MRXNPFEDSA-N 1 0 385.467 4.318 20 0 GIADRO C[NH+](C)CCn1ccc2ccc(NC(=O)[C@@H]3SCCc4ccccc43)cc21 ZINC000174371607 822779687 /nfs/dbraw/zinc/77/96/87/822779687.db2.gz DTBASDDZKHJYEX-OAQYLSRUSA-N 1 0 379.529 4.172 20 0 GIADRO 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 ZINC000456119898 822780153 /nfs/dbraw/zinc/78/01/53/822780153.db2.gz KUNSHHABJBXWEN-WUHRBBMRSA-N 1 0 388.396 4.085 20 0 GIADRO CSc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(-n3cccn3)cc2)cc1 ZINC000174374118 822780217 /nfs/dbraw/zinc/78/02/17/822780217.db2.gz ILCLCGTWKZRDCZ-HZPDHXFCSA-N 1 0 380.517 4.272 20 0 GIADRO Cc1ccccc1[C@H]1CN(C(=O)c2cccc(C[NH+]3CCCC3)c2)[C@H](C)CO1 ZINC000174393333 822783239 /nfs/dbraw/zinc/78/32/39/822783239.db2.gz PNVGACCBGWKDGJ-AUSIDOKSSA-N 1 0 378.516 4.193 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)c1ccc(NC(N)=O)cc1 ZINC000185445512 822784820 /nfs/dbraw/zinc/78/48/20/822784820.db2.gz IPZJWUJGJQYKPL-MNOVXSKESA-N 1 0 378.270 4.057 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1O)c1ccc(NC(N)=O)cc1 ZINC000185446105 822785005 /nfs/dbraw/zinc/78/50/05/822785005.db2.gz FEAODMZBUAOPME-QWRGUYRKSA-N 1 0 378.270 4.057 20 0 GIADRO COc1ccc(F)c(NC(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)c1 ZINC000185445862 822785016 /nfs/dbraw/zinc/78/50/16/822785016.db2.gz FYVXFXJRALSLJR-QGZVFWFLSA-N 1 0 399.388 4.278 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1O)c1ccc(NC(N)=O)cc1 ZINC000185446128 822785034 /nfs/dbraw/zinc/78/50/34/822785034.db2.gz FEAODMZBUAOPME-MNOVXSKESA-N 1 0 378.270 4.057 20 0 GIADRO CSc1nnc(CCC[NH2+][C@@H](C)c2cc(Cl)ccc2O)n1CC(C)C ZINC000185446829 822785200 /nfs/dbraw/zinc/78/52/00/822785200.db2.gz WGIGWTDUWRMVDL-ZDUSSCGKSA-N 1 0 382.961 4.298 20 0 GIADRO Cc1ccc(NC(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)c(C)n1 ZINC000185446530 822785224 /nfs/dbraw/zinc/78/52/24/822785224.db2.gz BJVONTKXABPIOG-KRWDZBQOSA-N 1 0 380.414 4.142 20 0 GIADRO CC(C)c1noc2nc(-c3ccco3)cc(C(=O)NC(C)(C)CCC[NH+](C)C)c21 ZINC000456163380 822785590 /nfs/dbraw/zinc/78/55/90/822785590.db2.gz GPFULGHGHJPVGE-UHFFFAOYSA-N 1 0 398.507 4.456 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)c1cc(-c2ccccc2C(F)(F)F)on1 ZINC000456163343 822785600 /nfs/dbraw/zinc/78/56/00/822785600.db2.gz GFNGLZLPAUEKCR-UHFFFAOYSA-N 1 0 383.414 4.211 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)c1cccc(-c2noc(CC(C)(C)C)n2)c1 ZINC000456166208 822785733 /nfs/dbraw/zinc/78/57/33/822785733.db2.gz JCMPSYVZPBHKKF-UHFFFAOYSA-N 1 0 386.540 4.175 20 0 GIADRO CC[C@H](Cc1cccc(Br)c1)C(=O)NC(C)(C)CCC[NH+](C)C ZINC000456166272 822785743 /nfs/dbraw/zinc/78/57/43/822785743.db2.gz JIFKYJIRKYHRDM-MRXNPFEDSA-N 1 0 383.374 4.254 20 0 GIADRO COc1ccc(-c2nc(C)c(C(=O)NC(C)(C)CCC[NH+](C)C)s2)c(F)c1 ZINC000456169865 822785888 /nfs/dbraw/zinc/78/58/88/822785888.db2.gz MTRLAIWWGFTPNT-UHFFFAOYSA-N 1 0 393.528 4.116 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)CCCC(=O)c1ccc(Br)cc1 ZINC000456170715 822786071 /nfs/dbraw/zinc/78/60/71/822786071.db2.gz NWIQQCOUIFWBFC-UHFFFAOYSA-N 1 0 397.357 4.039 20 0 GIADRO O=C(CCC[NH2+]Cc1ccc(Oc2cnccn2)cc1)Nc1ccc(Cl)cc1 ZINC000174407939 822786268 /nfs/dbraw/zinc/78/62/68/822786268.db2.gz FQWAMSYTUFTGEU-UHFFFAOYSA-N 1 0 396.878 4.431 20 0 GIADRO C[N@H+](CC(=O)Nc1cccc(N2CCCC2=O)c1)Cc1cccc2ccccc21 ZINC000051992746 822786237 /nfs/dbraw/zinc/78/62/37/822786237.db2.gz ZHNJLQZIKSMLRX-UHFFFAOYSA-N 1 0 387.483 4.037 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)c1ccc(-c2noc(CC(C)(C)C)n2)cc1 ZINC000456173648 822786282 /nfs/dbraw/zinc/78/62/82/822786282.db2.gz QXSYASYOOQHVCY-UHFFFAOYSA-N 1 0 386.540 4.175 20 0 GIADRO CCOc1cc(C[NH2+][C@@H](C)c2ccc(Br)cc2O)ccc1OC ZINC000185452998 822786365 /nfs/dbraw/zinc/78/63/65/822786365.db2.gz IYSSPXKHKFXBTN-LBPRGKRZSA-N 1 0 380.282 4.413 20 0 GIADRO C[C@@H](O)c1ccc(C[NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)cc1 ZINC000174409356 822786360 /nfs/dbraw/zinc/78/63/60/822786360.db2.gz LSXZEUIFBNTIAC-QRWLVFNGSA-N 1 0 375.896 4.241 20 0 GIADRO COc1cc(-c2noc(C[N@H+](C)CCc3ccccc3)n2)ccc1OC(F)F ZINC000051998233 822786430 /nfs/dbraw/zinc/78/64/30/822786430.db2.gz JFALRNAVJRSZBM-UHFFFAOYSA-N 1 0 389.402 4.021 20 0 GIADRO Fc1ccc(OCc2nc(CN3CCC([NH+]4CCCCC4)CC3)cs2)cc1 ZINC000052003608 822786442 /nfs/dbraw/zinc/78/64/42/822786442.db2.gz VFUAPELEUSMZKS-UHFFFAOYSA-N 1 0 389.540 4.312 20 0 GIADRO CC[C@@H](Cc1ccccc1Br)N(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC000185455897 822786671 /nfs/dbraw/zinc/78/66/71/822786671.db2.gz JJHXAHPWCZBKOO-SFHVURJKSA-N 1 0 395.385 4.349 20 0 GIADRO CCOc1ccccc1[C@H](CC(C)C)NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000174413933 822786923 /nfs/dbraw/zinc/78/69/23/822786923.db2.gz ZJYRIQHQAOBKDY-FPOVZHCZSA-N 1 0 387.568 4.300 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)C[NH2+]C2(Cc3ccccc3)CCCCC2)c1 ZINC000185459026 822787001 /nfs/dbraw/zinc/78/70/01/822787001.db2.gz VFAILOIUSSNECD-UHFFFAOYSA-N 1 0 379.504 4.119 20 0 GIADRO CC[NH+](CC)CCN(C(=O)c1oc(C)nc1C)c1cccc(Br)c1 ZINC000174417129 822787337 /nfs/dbraw/zinc/78/73/37/822787337.db2.gz RXOSFJVQEGQGHV-UHFFFAOYSA-N 1 0 394.313 4.043 20 0 GIADRO Cc1cc(C[NH2+]C2(c3cccc(Br)c3)CC2)ccc1-n1cncn1 ZINC000174422603 822787976 /nfs/dbraw/zinc/78/79/76/822787976.db2.gz LPAIJMVTSOKGOP-UHFFFAOYSA-N 1 0 383.293 4.117 20 0 GIADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2ccccc2Oc2cccnc2)C1 ZINC000052026823 822788325 /nfs/dbraw/zinc/78/83/25/822788325.db2.gz NWYYGZOBBUFMQR-RTBURBONSA-N 1 0 381.520 4.362 20 0 GIADRO CCC[NH+]1CCN(c2ccc(NC(=O)c3sccc3C#N)cc2Cl)CC1 ZINC000052032715 822788830 /nfs/dbraw/zinc/78/88/30/822788830.db2.gz TUAPNHUVPFCTOJ-UHFFFAOYSA-N 1 0 388.924 4.057 20 0 GIADRO O[C@H]1CCC[C@H](C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccs2)C1 ZINC000174429693 822789068 /nfs/dbraw/zinc/78/90/68/822789068.db2.gz WRYUQWXDGJIYOG-ICSRJNTNSA-N 1 0 381.545 4.301 20 0 GIADRO Cc1noc(C2CC2)c1NC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000185481614 822789281 /nfs/dbraw/zinc/78/92/81/822789281.db2.gz ZPFXSUXBCSUSCH-HNNXBMFYSA-N 1 0 396.413 4.304 20 0 GIADRO C[C@H]1CCN(Cc2csc(-c3ccccn3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000174434956 822789703 /nfs/dbraw/zinc/78/97/03/822789703.db2.gz GOBGXMJSUBIQQH-SFHVURJKSA-N 1 0 378.545 4.302 20 0 GIADRO Cc1c(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)nnn1-c1cccc(Cl)c1 ZINC000456252508 822790219 /nfs/dbraw/zinc/79/02/19/822790219.db2.gz AMAXLTWCJXQWPE-LJQANCHMSA-N 1 0 395.894 4.030 20 0 GIADRO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)CC1CCC(C(F)(F)F)CC1 ZINC000185492906 822790313 /nfs/dbraw/zinc/79/03/13/822790313.db2.gz UPRKQEMDCHQMMO-HLIUYOAVSA-N 1 0 377.472 4.452 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)CCSc3ccc4c(c3)OCCO4)ccc21 ZINC000456254336 822790445 /nfs/dbraw/zinc/79/04/45/822790445.db2.gz BPUXAKRAUKRJNE-LJQANCHMSA-N 1 0 398.528 4.128 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)Cc3cccc(OC(F)(F)F)c3)ccc21 ZINC000456254386 822790451 /nfs/dbraw/zinc/79/04/51/822790451.db2.gz BVURXILKNFTXEU-GOSISDBHSA-N 1 0 378.394 4.315 20 0 GIADRO COC(=O)[C@H](C)Sc1ccccc1C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000456254346 822790497 /nfs/dbraw/zinc/79/04/97/822790497.db2.gz BPXAIAXKZAKHPX-IFXJQAMLSA-N 1 0 398.528 4.141 20 0 GIADRO COC(=O)[C@@H](C)Sc1ccccc1C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000456254344 822790541 /nfs/dbraw/zinc/79/05/41/822790541.db2.gz BPXAIAXKZAKHPX-AUUYWEPGSA-N 1 0 398.528 4.141 20 0 GIADRO Cc1cc(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)nn1-c1ccc(F)cc1 ZINC000456255401 822790627 /nfs/dbraw/zinc/79/06/27/822790627.db2.gz BZMKMMMXFYWPEO-NRFANRHFSA-N 1 0 378.451 4.121 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)[C@@H](C)C1CCCCC1 ZINC000185500176 822791220 /nfs/dbraw/zinc/79/12/20/822791220.db2.gz WTJVINZVFGAULC-RTBURBONSA-N 1 0 399.579 4.058 20 0 GIADRO CC(C)c1[nH]nc(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)c1Br ZINC000456264020 822791506 /nfs/dbraw/zinc/79/15/06/822791506.db2.gz HDOZAVVPEPIGLR-CQSZACIVSA-N 1 0 391.313 4.097 20 0 GIADRO COc1ccc(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)cc1OC(F)F ZINC000456263760 822791535 /nfs/dbraw/zinc/79/15/35/822791535.db2.gz GXODYASLOIXQEU-INIZCTEOSA-N 1 0 376.403 4.098 20 0 GIADRO CCSCC[C@H](C)N(C)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000174455331 822792425 /nfs/dbraw/zinc/79/24/25/822792425.db2.gz CBMMNMHCDXXXFV-INIZCTEOSA-N 1 0 383.627 4.133 20 0 GIADRO CC(C)CC(=O)N[C@@H](C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)c1ccccc1 ZINC000456278175 822793248 /nfs/dbraw/zinc/79/32/48/822793248.db2.gz OYKUMJIGSRLNOE-FYYLOGMGSA-N 1 0 393.531 4.078 20 0 GIADRO Cc1oc(-c2ccsc2)nc1CC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000456279232 822793346 /nfs/dbraw/zinc/79/33/46/822793346.db2.gz PQHKIQDQHPMCRB-IBGZPJMESA-N 1 0 381.501 4.442 20 0 GIADRO Cc1nn(C)c(=O)c(-c2nc(C[NH2+][C@@H](C)[C@@H](C)C3CCCCC3)cs2)c1C ZINC000185528411 822793624 /nfs/dbraw/zinc/79/36/24/822793624.db2.gz UOQSBFMDMHOJOO-HIFRSBDPSA-N 1 0 388.581 4.215 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)C1 ZINC000174466031 822794076 /nfs/dbraw/zinc/79/40/76/822794076.db2.gz YYOQSGVPGSYUAS-SFHVURJKSA-N 1 0 389.499 4.422 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cccnc2Sc2ccc(C)cc2C)C1 ZINC000174466941 822794221 /nfs/dbraw/zinc/79/42/21/822794221.db2.gz HCXNRGAPRHZICX-GOSISDBHSA-N 1 0 383.561 4.263 20 0 GIADRO CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)cc1 ZINC000456285644 822794363 /nfs/dbraw/zinc/79/43/63/822794363.db2.gz UZBFRVBKFVUBSW-SZNDQCEHSA-N 1 0 397.544 4.313 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)Cc3cc(F)ccc3Br)ccc21 ZINC000456292018 822794893 /nfs/dbraw/zinc/79/48/93/822794893.db2.gz ZGNCBONGDONMKS-SFHVURJKSA-N 1 0 391.284 4.318 20 0 GIADRO COCC[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)c1cccc(C(F)(F)F)c1 ZINC000456299894 822795754 /nfs/dbraw/zinc/79/57/54/822795754.db2.gz STNGYBYXPOZCRI-IBGZPJMESA-N 1 0 394.437 4.275 20 0 GIADRO C[NH+]1CCC(C(=O)NC2(c3ccccc3Br)CCCCC2)CC1 ZINC000456300419 822795865 /nfs/dbraw/zinc/79/58/65/822795865.db2.gz TYPYAYXBVACOGX-UHFFFAOYSA-N 1 0 379.342 4.067 20 0 GIADRO COC(=O)c1ccc(-c2nc(C[NH2+][C@H](C)[C@H]3COc4ccccc43)cs2)cc1 ZINC000185552712 822795884 /nfs/dbraw/zinc/79/58/84/822795884.db2.gz QHMIAHFJBMMCSW-AUUYWEPGSA-N 1 0 394.496 4.251 20 0 GIADRO COc1ccc(C[NH2+][C@@H](C)[C@@H]2COc3ccccc32)c(Br)c1OC ZINC000185560696 822796530 /nfs/dbraw/zinc/79/65/30/822796530.db2.gz IWIFYZKJIXGYGK-WFASDCNBSA-N 1 0 392.293 4.121 20 0 GIADRO COc1ccc(C[NH2+][C@@H](C)[C@H]2COc3ccccc32)c(Br)c1OC ZINC000185560730 822796561 /nfs/dbraw/zinc/79/65/61/822796561.db2.gz IWIFYZKJIXGYGK-SWLSCSKDSA-N 1 0 392.293 4.121 20 0 GIADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000174500001 822797398 /nfs/dbraw/zinc/79/73/98/822797398.db2.gz MYWKHJIXWMIRBH-CYBMUJFWSA-N 1 0 375.847 4.280 20 0 GIADRO Cc1nc(-c2c[nH]c(C(=O)N3CC[N@H+](Cc4ccccc4)C[C@@H](C)C3)c2)cs1 ZINC000456314935 822797570 /nfs/dbraw/zinc/79/75/70/822797570.db2.gz XAIAHITWXGYLKV-MRXNPFEDSA-N 1 0 394.544 4.041 20 0 GIADRO Cc1nc(-c2cccc(Cl)c2)sc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000456321762 822798220 /nfs/dbraw/zinc/79/82/20/822798220.db2.gz PYUNQXNQXRJYPE-MQVJKMGUSA-N 1 0 375.925 4.127 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)C3(Cc4ccc(F)cc4)CCOCC3)ccc21 ZINC000456320608 822798244 /nfs/dbraw/zinc/79/82/44/822798244.db2.gz OBSITRFRKPSUEX-QFIPXVFZSA-N 1 0 396.506 4.353 20 0 GIADRO c1ccc(C[NH+]2CCC(Nc3ncnc4sc5c(c43)CCCC5)CC2)nc1 ZINC000052407459 822798354 /nfs/dbraw/zinc/79/83/54/822798354.db2.gz YBAOINFOTMZNHP-UHFFFAOYSA-N 1 0 379.533 4.042 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)Nc2cccc(NC(=O)N(C)C)c2)cc1)C1CC1 ZINC000456332803 822799412 /nfs/dbraw/zinc/79/94/12/822799412.db2.gz IMHCLOSHVJSTPO-UHFFFAOYSA-N 1 0 380.492 4.017 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)c3cccc(F)c3Br)ccc21 ZINC000456333333 822799532 /nfs/dbraw/zinc/79/95/32/822799532.db2.gz UWTCDAXZGJIDCY-MRXNPFEDSA-N 1 0 377.257 4.389 20 0 GIADRO Cc1c2cc(Br)ccc2sc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000456334329 822799558 /nfs/dbraw/zinc/79/95/58/822799558.db2.gz UYSCURKEZGRBNR-AGUYFDCRSA-N 1 0 393.350 4.327 20 0 GIADRO O=C([C@H]1C[C@H]1c1ccccc1OC(F)(F)F)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174522112 822800477 /nfs/dbraw/zinc/80/04/77/822800477.db2.gz BCBAKYUNAUGTMY-NJAFHUGGSA-N 1 0 396.453 4.023 20 0 GIADRO C[C@@H](CC(=O)c1ccccc1F)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000456349101 822800916 /nfs/dbraw/zinc/80/09/16/822800916.db2.gz VPQKYTREQACUFP-MOPGFXCFSA-N 1 0 396.506 4.015 20 0 GIADRO O=C(Nc1cccc(-c2ccc(F)c(F)c2)c1)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000456385488 822803508 /nfs/dbraw/zinc/80/35/08/822803508.db2.gz CAOJMUJKWQLWDM-OAQYLSRUSA-N 1 0 386.442 4.214 20 0 GIADRO C[NH+]1CCN(Cc2cccc(C(=O)Nc3cccc(SC(F)F)c3)c2)CC1 ZINC000174549709 822803822 /nfs/dbraw/zinc/80/38/22/822803822.db2.gz OQMJMFJMPHJOCQ-UHFFFAOYSA-N 1 0 391.487 4.001 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)c2ccc(NC(=O)NC(C)C)cc2)c1 ZINC000052567020 822804017 /nfs/dbraw/zinc/80/40/17/822804017.db2.gz PKNXLFOPVFGRFU-UHFFFAOYSA-N 1 0 382.508 4.311 20 0 GIADRO O=C([C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174559408 822804989 /nfs/dbraw/zinc/80/49/89/822804989.db2.gz YVRFOIOKVCJAHA-AYOQOUSVSA-N 1 0 380.454 4.143 20 0 GIADRO CSC1(C[NH2+]Cc2csc(COc3ccc(Cl)cc3)n2)CCOCC1 ZINC000174563331 822805466 /nfs/dbraw/zinc/80/54/66/822805466.db2.gz MCRFTQCKPATCJQ-UHFFFAOYSA-N 1 0 398.981 4.377 20 0 GIADRO Cc1ccc(-c2noc(CCC[NH2+][C@@H](C)[C@H]3COc4ccccc43)n2)cc1F ZINC000185641751 822805820 /nfs/dbraw/zinc/80/58/20/822805820.db2.gz BKYNQFGKTSLSOY-MAUKXSAKSA-N 1 0 381.451 4.271 20 0 GIADRO COc1ccc([C@H](CNC(=O)Nc2cccc(SC)c2)[NH+]2CCCC2)cc1 ZINC000052635224 822805874 /nfs/dbraw/zinc/80/58/74/822805874.db2.gz PIYDWLQNEUOFAY-FQEVSTJZSA-N 1 0 385.533 4.376 20 0 GIADRO COc1ccc(OCc2nc(C[NH2+][C@@H](C)CCc3cccn3C)cs2)cc1 ZINC000174567725 822805984 /nfs/dbraw/zinc/80/59/84/822805984.db2.gz GWWJUBHVVSESGS-INIZCTEOSA-N 1 0 385.533 4.180 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1c(C)cccc1C ZINC000185646617 822806375 /nfs/dbraw/zinc/80/63/75/822806375.db2.gz QFEPOGYOEAXEPQ-HIFRSBDPSA-N 1 0 396.457 4.357 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]CC(=O)N(c1ccccc1)C(C)C ZINC000185649125 822806513 /nfs/dbraw/zinc/80/65/13/822806513.db2.gz WUODHMOEOFXIGE-AWEZNQCLSA-N 1 0 396.457 4.154 20 0 GIADRO COc1ccc([C@H](CNC(=O)N2CCC[C@H]2c2cccs2)[NH+]2CCCC2)cc1 ZINC000052659440 822806554 /nfs/dbraw/zinc/80/65/54/822806554.db2.gz GGKUHJVJOLSOQV-PMACEKPBSA-N 1 0 399.560 4.440 20 0 GIADRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000052662334 822806724 /nfs/dbraw/zinc/80/67/24/822806724.db2.gz IOYDEZDXBRNSTG-GAJHUEQPSA-N 1 0 390.483 4.410 20 0 GIADRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000052662336 822806810 /nfs/dbraw/zinc/80/68/10/822806810.db2.gz IOYDEZDXBRNSTG-UZUQRXQVSA-N 1 0 390.483 4.410 20 0 GIADRO C[NH+](C)Cc1ccccc1NC(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1 ZINC000052665945 822806957 /nfs/dbraw/zinc/80/69/57/822806957.db2.gz UFVRSWUEROLTMC-QGZVFWFLSA-N 1 0 394.544 4.213 20 0 GIADRO C[C@H](NCC(=O)N(Cc1ccccc1)C(C)(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185663393 822808066 /nfs/dbraw/zinc/80/80/66/822808066.db2.gz PLGIATJFHKNLQM-FPOVZHCZSA-N 1 0 385.596 4.056 20 0 GIADRO O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CCOC[C@@H]1c1ccc(F)cc1 ZINC000456456072 822808333 /nfs/dbraw/zinc/80/83/33/822808333.db2.gz LQHIMZUEZMGUNA-JOCHJYFZSA-N 1 0 382.479 4.025 20 0 GIADRO Cc1ccccc1C(=O)NC1CC[NH+](CCCOc2ccc(Cl)cc2)CC1 ZINC000052746678 822809190 /nfs/dbraw/zinc/80/91/90/822809190.db2.gz JXPNFCHNEHUJBI-UHFFFAOYSA-N 1 0 386.923 4.312 20 0 GIADRO C[C@@H](N[C@@H](C)C(=O)Nc1cccc2ccccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185678516 822809392 /nfs/dbraw/zinc/80/93/92/822809392.db2.gz OMLJSIFXKBKYCJ-HBFSDRIKSA-N 1 0 379.548 4.409 20 0 GIADRO CCCn1c(SCC[N@H+](C)Cc2ccc(F)cc2)nnc1-c1ccncc1 ZINC000185680473 822809598 /nfs/dbraw/zinc/80/95/98/822809598.db2.gz SCEFUUUUPHMYEG-UHFFFAOYSA-N 1 0 385.512 4.113 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)CC[N@@H+]1C ZINC000174597692 822810070 /nfs/dbraw/zinc/81/00/70/822810070.db2.gz OIYUPWJJLZWFBX-HOCLYGCPSA-N 1 0 398.473 4.252 20 0 GIADRO Cc1ccc(C[NH2+]C2CCC(O)(c3cccnc3)CC2)c(Br)c1 ZINC000185688656 822810275 /nfs/dbraw/zinc/81/02/75/822810275.db2.gz IJWJVEPYEQVJJV-UHFFFAOYSA-N 1 0 375.310 4.073 20 0 GIADRO COc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)ccc1OCc1cccs1 ZINC000174600458 822810443 /nfs/dbraw/zinc/81/04/43/822810443.db2.gz ABSLGOMRRJVSPT-YQQQUEKLSA-N 1 0 386.561 4.441 20 0 GIADRO COc1c(Cl)cc(Cl)cc1C[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000185692003 822810657 /nfs/dbraw/zinc/81/06/57/822810657.db2.gz YQZAVUXKPMCGPY-UHFFFAOYSA-N 1 0 381.303 4.317 20 0 GIADRO COc1cc(C[NH2+]C[C@@H](C)Oc2ccccc2F)ccc1OCc1ccncc1 ZINC000174601902 822810736 /nfs/dbraw/zinc/81/07/36/822810736.db2.gz GWVWTJDDZYNTCH-QGZVFWFLSA-N 1 0 396.462 4.365 20 0 GIADRO COc1ccc(C[NH2+]C[C@@H](C)Oc2ccc(F)cc2)cc1OCc1cccnc1 ZINC000174603089 822810890 /nfs/dbraw/zinc/81/08/90/822810890.db2.gz NIPJCQBLFCRCKD-QGZVFWFLSA-N 1 0 396.462 4.365 20 0 GIADRO O=C(NCc1ccc(C(F)F)cc1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000185698506 822811196 /nfs/dbraw/zinc/81/11/96/822811196.db2.gz RLJBAHYJSLPLTC-SFHVURJKSA-N 1 0 379.495 4.422 20 0 GIADRO OC1(c2cccnc2)CCC([NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)CC1 ZINC000185704807 822812064 /nfs/dbraw/zinc/81/20/64/822812064.db2.gz ZWCLXZVUQRFXNU-UHFFFAOYSA-N 1 0 398.400 4.082 20 0 GIADRO O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@@H+](Cc2ccc(F)c3cccnc23)C1 ZINC000052829889 822812454 /nfs/dbraw/zinc/81/24/54/822812454.db2.gz GZTPIWTUOWCKFD-HNNXBMFYSA-N 1 0 398.869 4.273 20 0 GIADRO COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@@H](C)c3cc(Cl)ccc3O)C2)c1 ZINC000185708479 822812518 /nfs/dbraw/zinc/81/25/18/822812518.db2.gz CJIKVICOHXNYMH-LSDHHAIUSA-N 1 0 390.911 4.240 20 0 GIADRO Cn1nc(-c2ccccc2)c(C[NH2+]C2CCC(O)(c3cccnc3)CC2)c1Cl ZINC000185708680 822812549 /nfs/dbraw/zinc/81/25/49/822812549.db2.gz SEZBZCZOMMHAOX-UHFFFAOYSA-N 1 0 396.922 4.056 20 0 GIADRO C[C@@H](NCc1cn2cc(Cl)cc(Cl)c2n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185709125 822812615 /nfs/dbraw/zinc/81/26/15/822812615.db2.gz MVRFSJAEXJSTSS-ZIAGYGMSSA-N 1 0 381.351 4.384 20 0 GIADRO C[C@@H](NCc1nn(-c2ccc(F)cc2)c2c1CCC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185715418 822813599 /nfs/dbraw/zinc/81/35/99/822813599.db2.gz BUUPJQHFPXXEPE-QZTJIDSGSA-N 1 0 396.554 4.243 20 0 GIADRO CS(=O)(=O)c1cccc([C@@H]([NH2+]C2CCCCC2)c2ccc(F)c(F)c2)c1 ZINC000174622898 822813757 /nfs/dbraw/zinc/81/37/57/822813757.db2.gz WBZKNZRKOULKRK-HXUWFJFHSA-N 1 0 379.472 4.380 20 0 GIADRO C[C@H](N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000185722648 822814473 /nfs/dbraw/zinc/81/44/73/822814473.db2.gz QXZDEHOIYQIBEP-JYJNAYRXSA-N 1 0 397.485 4.275 20 0 GIADRO C[C@H](N[C@@H]1CCCN(c2ccccc2Cl)C1=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185725305 822814924 /nfs/dbraw/zinc/81/49/24/822814924.db2.gz KXCTXDWZOWUSNA-SQGPQFPESA-N 1 0 389.971 4.078 20 0 GIADRO COc1cc(C[NH2+]C2(c3cccc(F)c3)CCOCC2)cc(Cl)c1OC ZINC000174645370 822816983 /nfs/dbraw/zinc/81/69/83/822816983.db2.gz QSOLZRGWWJVLRO-UHFFFAOYSA-N 1 0 379.859 4.292 20 0 GIADRO CC(C)N(Cc1ccccc1)C(=O)[C@H](C)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185748363 822817333 /nfs/dbraw/zinc/81/73/33/822817333.db2.gz SZPRKQKRLXHXIS-RZUBCFFCSA-N 1 0 385.596 4.055 20 0 GIADRO C[C@H](NCc1cccc(C(=O)N2CCCCC2)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185749624 822817464 /nfs/dbraw/zinc/81/74/64/822817464.db2.gz VGRXEPAAUDGJHK-SIKLNZKXSA-N 1 0 383.580 4.055 20 0 GIADRO CCC[N@H+](CC)CCNC(=O)c1c(C)nn(Cc2ccccc2Cl)c1Cl ZINC000174650363 822817788 /nfs/dbraw/zinc/81/77/88/822817788.db2.gz ATZHAVMFPKVEPG-UHFFFAOYSA-N 1 0 397.350 4.008 20 0 GIADRO C[C@H]([NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cccc(-n2ccnc2)c1 ZINC000174651397 822817899 /nfs/dbraw/zinc/81/78/99/822817899.db2.gz JSWJIBAUELLSCM-ROUUACIJSA-N 1 0 384.524 4.170 20 0 GIADRO Cc1onc(-c2ccccc2)c1C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000052993955 822817987 /nfs/dbraw/zinc/81/79/87/822817987.db2.gz NPASXUQTSPTVNK-UHFFFAOYSA-N 1 0 381.520 4.378 20 0 GIADRO CN(Cc1sccc1Br)C1CC[NH+](CCc2ccccn2)CC1 ZINC000174654393 822818472 /nfs/dbraw/zinc/81/84/72/822818472.db2.gz AURQIMZEDZRUTJ-UHFFFAOYSA-N 1 0 394.382 4.045 20 0 GIADRO COc1cc(NC(=O)CC[N@H+](C)Cc2ccc(C)cc2)c(OC)cc1Cl ZINC000174655390 822818628 /nfs/dbraw/zinc/81/86/28/822818628.db2.gz YSHTVDHWJNICEM-UHFFFAOYSA-N 1 0 376.884 4.126 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1nc(C2CC2)cs1 ZINC000174656225 822818881 /nfs/dbraw/zinc/81/88/81/822818881.db2.gz BGOUMOIIGUAWJH-QGZVFWFLSA-N 1 0 384.549 4.396 20 0 GIADRO CCOc1ccc(-c2nc(CN[C@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)co2)cc1 ZINC000185768113 822819348 /nfs/dbraw/zinc/81/93/48/822819348.db2.gz SAOZRQZTVLBGEO-IEBWSBKVSA-N 1 0 383.536 4.483 20 0 GIADRO C[N@H+](CCCOc1cccc(Cl)c1)C1CCN(CCc2ccccn2)CC1 ZINC000174659326 822819769 /nfs/dbraw/zinc/81/97/69/822819769.db2.gz SASCHCLDMXGSMG-UHFFFAOYSA-N 1 0 387.955 4.143 20 0 GIADRO CC[N@H+](CCC(=O)Nc1cc(OC)c(Cl)cc1OC)Cc1cccs1 ZINC000174664855 822820654 /nfs/dbraw/zinc/82/06/54/822820654.db2.gz AJTDKVXVIVFOFU-UHFFFAOYSA-N 1 0 382.913 4.269 20 0 GIADRO C[C@@H](C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1cn(C)c2ccccc12 ZINC000185787313 822821216 /nfs/dbraw/zinc/82/12/16/822821216.db2.gz FNIIEINLTJOUBQ-MSOLQXFVSA-N 1 0 390.531 4.019 20 0 GIADRO CC(C)[NH+]1CCC(C(=O)N[C@H](COc2ccccc2F)c2ccccc2)CC1 ZINC000174671652 822821449 /nfs/dbraw/zinc/82/14/49/822821449.db2.gz BVCJRWNPKIRTFW-OAQYLSRUSA-N 1 0 384.495 4.182 20 0 GIADRO CC[N@H+](CCCc1nc(-c2cccs2)no1)Cc1ccc(OC)c(OC)c1 ZINC000053097586 822821544 /nfs/dbraw/zinc/82/15/44/822821544.db2.gz SAOAZFMZZZHDGW-UHFFFAOYSA-N 1 0 387.505 4.270 20 0 GIADRO O=C(CCSc1ccc(Br)cc1)NC1CC[NH+](C2CCC2)CC1 ZINC000456680752 822822046 /nfs/dbraw/zinc/82/20/46/822822046.db2.gz GGACUEIEYNRIGQ-UHFFFAOYSA-N 1 0 397.382 4.064 20 0 GIADRO COc1ccccc1NC(=O)C[NH2+][C@@H](C)[C@H](C)c1ccccc1C(F)(F)F ZINC000185799280 822822071 /nfs/dbraw/zinc/82/20/71/822822071.db2.gz DXJCUEYDLHBRNK-KBPBESRZSA-N 1 0 380.410 4.434 20 0 GIADRO Cc1csc2nc(C[NH2+][C@@H](C)[C@@H](C)c3ccccc3C(F)(F)F)cc(=O)n12 ZINC000185799521 822822221 /nfs/dbraw/zinc/82/22/21/822822221.db2.gz CLJBYXBKGIQOFO-OLZOCXBDSA-N 1 0 395.450 4.365 20 0 GIADRO Cc1cc2c(o1)c(C(=O)NC1CC[NH+](C3CCC3)CC1)ccc2Br ZINC000456685698 822822578 /nfs/dbraw/zinc/82/25/78/822822578.db2.gz RHWCIZDBTZCOMJ-UHFFFAOYSA-N 1 0 391.309 4.250 20 0 GIADRO Cc1c(C(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cnn1C(C)(C)C ZINC000053144418 822823428 /nfs/dbraw/zinc/82/34/28/822823428.db2.gz PKDPGAPIROFJQJ-KRWDZBQOSA-N 1 0 382.552 4.108 20 0 GIADRO CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)CCc2nc(C3CCCC3)no2)CC1 ZINC000456701054 822824382 /nfs/dbraw/zinc/82/43/82/822824382.db2.gz VAUCSKAWVAIIDD-UHFFFAOYSA-N 1 0 390.572 4.019 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(Cl)cc1Cl ZINC000185821265 822824421 /nfs/dbraw/zinc/82/44/21/822824421.db2.gz LGZSEHHNTGMACF-ZDUSSCGKSA-N 1 0 399.343 4.384 20 0 GIADRO Cc1c(C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)oc2c1C(=O)CCC2 ZINC000053187612 822825333 /nfs/dbraw/zinc/82/53/33/822825333.db2.gz RHYMWXYJPNYLGF-MRXNPFEDSA-N 1 0 394.515 4.411 20 0 GIADRO Cc1nc2ccccc2n1CC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000053187713 822825437 /nfs/dbraw/zinc/82/54/37/822825437.db2.gz LVWRLRPYHVWQBE-SFHVURJKSA-N 1 0 390.531 4.036 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@@H+]1CCC[C@H]1C1CCCCC1 ZINC000053211354 822826069 /nfs/dbraw/zinc/82/60/69/822826069.db2.gz AETGHWIXOCHXPO-NRFANRHFSA-N 1 0 380.536 4.472 20 0 GIADRO CCCCOc1ccc(C(=O)N(CC(C)C)C2CC[NH+](C)CC2)cc1OCC ZINC000053222676 822826693 /nfs/dbraw/zinc/82/66/93/822826693.db2.gz OXQUWUAVOYRUGJ-UHFFFAOYSA-N 1 0 390.568 4.457 20 0 GIADRO COc1ccc([C@H](C[NH2+][C@H](C)c2cc(Cl)ccc2O)N(C)C)cc1OC ZINC000185873998 822829056 /nfs/dbraw/zinc/82/90/56/822829056.db2.gz FJQUFUVHDYNPCZ-DYVFJYSZSA-N 1 0 378.900 4.016 20 0 GIADRO CC(=O)c1cccc(C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)c1 ZINC000456789093 822831156 /nfs/dbraw/zinc/83/11/56/822831156.db2.gz IXRXGFQXDIRXRP-UHFFFAOYSA-N 1 0 386.879 4.268 20 0 GIADRO CC(C)OCc1c2ccccc2oc1C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000053348936 822831201 /nfs/dbraw/zinc/83/12/01/822831201.db2.gz XPIKQHUQLBSROF-UHFFFAOYSA-N 1 0 380.488 4.220 20 0 GIADRO Cc1nn(C(C)(C)C)c(C)c1C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000053358749 822831656 /nfs/dbraw/zinc/83/16/56/822831656.db2.gz KEPULOIDOAVKGP-KRWDZBQOSA-N 1 0 396.579 4.417 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)Cc2ccc(F)cc2F)CC1 ZINC000456795169 822831850 /nfs/dbraw/zinc/83/18/50/822831850.db2.gz SOGGFAVEBKYFTD-UHFFFAOYSA-N 1 0 394.849 4.272 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2ccccc2Oc2ccccc2)[C@H](C)C1 ZINC000174781203 822836190 /nfs/dbraw/zinc/83/61/90/822836190.db2.gz NKEGMMWLJOVQTN-WIYYLYMNSA-N 1 0 381.520 4.080 20 0 GIADRO C[C@H](NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)c1nc(-c2ccccc2)cs1 ZINC000174791376 822837475 /nfs/dbraw/zinc/83/74/75/822837475.db2.gz BGIIHEFGQHSKQZ-FUHWJXTLSA-N 1 0 386.565 4.387 20 0 GIADRO C[C@@H](NC(=O)NC[C@@H](c1cccs1)[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000053529323 822839299 /nfs/dbraw/zinc/83/92/99/822839299.db2.gz CPTAWLQRQPDCTP-DOMZBBRYSA-N 1 0 385.455 4.430 20 0 GIADRO CC[C@H]([NH2+]CCC(=O)Nc1ccc(OC)cc1)c1nc(C(F)(F)F)cs1 ZINC000185970464 822839374 /nfs/dbraw/zinc/83/93/74/822839374.db2.gz PRDIWUMUOAGAFK-ZDUSSCGKSA-N 1 0 387.427 4.240 20 0 GIADRO CN(Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000053534121 822839432 /nfs/dbraw/zinc/83/94/32/822839432.db2.gz OFALDLKRWJFLQX-QGZVFWFLSA-N 1 0 395.425 4.277 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)N(C)Cc1sccc1C)[NH+]1CCCC1 ZINC000053536755 822839558 /nfs/dbraw/zinc/83/95/58/822839558.db2.gz CXYRNELSUMUBFM-GOSISDBHSA-N 1 0 387.549 4.044 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)Nc2cc(C(C)(C)C)nn2Cc2ccccc2)CC[N@@H+]1C ZINC000174809165 822840426 /nfs/dbraw/zinc/84/04/26/822840426.db2.gz OIMPVKWFBIMCMJ-HKUYNNGSSA-N 1 0 397.567 4.175 20 0 GIADRO CC[C@@H]([NH2+]CCC(=O)Nc1ccc(F)cc1)c1nc(C(F)(F)F)cs1 ZINC000185981322 822840613 /nfs/dbraw/zinc/84/06/13/822840613.db2.gz SLONSMVQIAEIER-GFCCVEGCSA-N 1 0 375.391 4.371 20 0 GIADRO COc1cc(Br)c(C[NH2+][C@@H](C)c2ccc(C)cc2O)cc1OC ZINC000185985075 822841108 /nfs/dbraw/zinc/84/11/08/822841108.db2.gz JPHVHMAJELLDRR-LBPRGKRZSA-N 1 0 380.282 4.331 20 0 GIADRO CC(C)[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)Nc1cccc(Oc3ccncc3)c1)C2 ZINC000174818163 822841493 /nfs/dbraw/zinc/84/14/93/822841493.db2.gz CCKFLVUXFFNTPV-RBUKOAKNSA-N 1 0 380.492 4.353 20 0 GIADRO CC(C)(C)[C@@H]([NH2+]CC(=O)NCC1(c2ccccc2)CCOCC1)c1ccccc1 ZINC000053617415 822842907 /nfs/dbraw/zinc/84/29/07/822842907.db2.gz WVKXOUSRFDTTHA-QHCPKHFHSA-N 1 0 394.559 4.228 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)CCc3cccc(Cl)c3)c(C)c2)CC1 ZINC000053680027 822844676 /nfs/dbraw/zinc/84/46/76/822844676.db2.gz GZEGTQLFMVQCTM-UHFFFAOYSA-N 1 0 385.939 4.362 20 0 GIADRO COc1ccc([C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)c2ccco2)cc1 ZINC000456990341 822844961 /nfs/dbraw/zinc/84/49/61/822844961.db2.gz FMCSFCSAORQJSK-AVRDEDQJSA-N 1 0 382.504 4.148 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1 ZINC000053720505 822845924 /nfs/dbraw/zinc/84/59/24/822845924.db2.gz IFJVVICHKOJONF-MRXNPFEDSA-N 1 0 376.456 4.420 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)C2CCN(CC(F)(F)F)CC2)cc1 ZINC000053721985 822846262 /nfs/dbraw/zinc/84/62/62/822846262.db2.gz XSDYGJTYVFDCAH-INIZCTEOSA-N 1 0 397.485 4.274 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H](C)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000174851241 822846487 /nfs/dbraw/zinc/84/64/87/822846487.db2.gz LSXXQXIMPUGUHJ-DOTOQJQBSA-N 1 0 385.474 4.010 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)N[C@H]1CCCOc2ccc(F)cc21 ZINC000053751936 822847062 /nfs/dbraw/zinc/84/70/62/822847062.db2.gz RAYAYDVJDJBGFA-NRFANRHFSA-N 1 0 397.494 4.003 20 0 GIADRO COc1ccc(CN2CC[C@@H]([NH2+][C@@H](C)c3ccc4ccccc4c3O)C2=O)cc1 ZINC000186050143 822847375 /nfs/dbraw/zinc/84/73/75/822847375.db2.gz QIJWPJUWNPGRKM-KSFYIVLOSA-N 1 0 390.483 4.006 20 0 GIADRO CN(C(=O)c1ccc(F)c(Cl)c1F)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457063191 822849103 /nfs/dbraw/zinc/84/91/03/822849103.db2.gz BMBRLTMBVWBDEH-UHFFFAOYSA-N 1 0 384.776 4.107 20 0 GIADRO O=C(N[C@@H]1CCc2ccc(-c3ccccc3)cc21)NC1CC[NH+](C2CC2)CC1 ZINC000186093223 822850829 /nfs/dbraw/zinc/85/08/29/822850829.db2.gz SBEMHZJMOWLCCB-HSZRJFAPSA-N 1 0 375.516 4.267 20 0 GIADRO Cc1ccccc1OCCCC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457081124 822850994 /nfs/dbraw/zinc/85/09/94/822850994.db2.gz HKHWOFVAFSUCGR-UHFFFAOYSA-N 1 0 386.458 4.029 20 0 GIADRO CCC(CC)c1cc(C(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)on1 ZINC000457081920 822851120 /nfs/dbraw/zinc/85/11/20/822851120.db2.gz IHPRFYJRWUZWQB-UHFFFAOYSA-N 1 0 375.435 4.067 20 0 GIADRO CCOc1ccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c2ncccc12 ZINC000186096113 822851242 /nfs/dbraw/zinc/85/12/42/822851242.db2.gz XZOFZSKFOREJGN-OXQOHEQNSA-N 1 0 394.519 4.114 20 0 GIADRO CC(C)[C@@H](Cc1ccccc1)C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457085124 822851462 /nfs/dbraw/zinc/85/14/62/822851462.db2.gz LZGOAUOBTGYFSE-LJQANCHMSA-N 1 0 384.486 4.377 20 0 GIADRO CCCc1cc(C(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)sc1C ZINC000457084548 822851492 /nfs/dbraw/zinc/85/14/92/822851492.db2.gz LRZXAKMLZZVEFO-UHFFFAOYSA-N 1 0 376.488 4.498 20 0 GIADRO CC(C)[NH+]1CCC(C(=O)Nc2cccc(C[S@](=O)c3ccccc3)c2)CC1 ZINC000174894999 822851897 /nfs/dbraw/zinc/85/18/97/822851897.db2.gz HHJOOUSRACSHLB-MHZLTWQESA-N 1 0 384.545 4.053 20 0 GIADRO C[C@@H](C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)c1cc2ccccc2o1 ZINC000457089948 822852408 /nfs/dbraw/zinc/85/24/08/822852408.db2.gz UFKZMVWOPPRVQA-CQSZACIVSA-N 1 0 382.426 4.412 20 0 GIADRO CC(=O)c1ccc(Oc2ccc(C(=O)N(C)[C@@H]3CC[N@@H+](C(C)C)C3)cc2)cc1 ZINC000457101488 822853434 /nfs/dbraw/zinc/85/34/34/822853434.db2.gz YGZJZWDAJUQNMM-HXUWFJFHSA-N 1 0 380.488 4.236 20 0 GIADRO CC(C)Oc1ccc(-c2nc(C(=O)N(C)[C@@H]3CC[N@@H+](C(C)C)C3)cs2)cc1 ZINC000457108578 822853760 /nfs/dbraw/zinc/85/37/60/822853760.db2.gz FVSJFIIRHSISPJ-QGZVFWFLSA-N 1 0 387.549 4.152 20 0 GIADRO CC1(C)CC(NC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)CC(C)(C)[NH2+]1 ZINC000053954859 822854180 /nfs/dbraw/zinc/85/41/80/822854180.db2.gz MEXWEJBIEGNHRI-MRXNPFEDSA-N 1 0 386.565 4.452 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000053967961 822854918 /nfs/dbraw/zinc/85/49/18/822854918.db2.gz PFVSJZVEQNCDOA-UHFFFAOYSA-N 1 0 390.449 4.337 20 0 GIADRO COCCCOc1cccc(C[NH2+][C@H](C)c2ccc(Br)cc2O)c1 ZINC000186154604 822856452 /nfs/dbraw/zinc/85/64/52/822856452.db2.gz HUVORRLLGLGTDQ-CQSZACIVSA-N 1 0 394.309 4.421 20 0 GIADRO CCCOc1ccc(-c2nc(C(=O)N(C)[C@H]3CC[N@@H+](C(C)C)C3)cs2)cc1 ZINC000457142202 822856792 /nfs/dbraw/zinc/85/67/92/822856792.db2.gz ZWPDAYRWBCZWBL-KRWDZBQOSA-N 1 0 387.549 4.154 20 0 GIADRO Cc1cc(OC(F)F)c(C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000174929152 822857338 /nfs/dbraw/zinc/85/73/38/822857338.db2.gz OPTLQTKMMMSUAY-MRXNPFEDSA-N 1 0 394.487 4.252 20 0 GIADRO Cc1nc(-c2ccccc2)oc1C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000174931009 822857537 /nfs/dbraw/zinc/85/75/37/822857537.db2.gz DWYAXSFWZPBWFW-UHFFFAOYSA-N 1 0 399.878 4.496 20 0 GIADRO COc1ccc(C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c2ccccc12 ZINC000174937775 822858288 /nfs/dbraw/zinc/85/82/88/822858288.db2.gz XMDYITCCMMQQGJ-FQEVSTJZSA-N 1 0 388.511 4.443 20 0 GIADRO C[N@H+](CCCCNC(=O)C(C)(C)c1csc(-c2cccs2)n1)C1CC1 ZINC000457172163 822858961 /nfs/dbraw/zinc/85/89/61/822858961.db2.gz TULXASLZYCNQJA-UHFFFAOYSA-N 1 0 377.579 4.140 20 0 GIADRO COCc1cccc(CC(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)c1 ZINC000186186764 822859185 /nfs/dbraw/zinc/85/91/85/822859185.db2.gz DNYPMQVRMXMQKY-FQEVSTJZSA-N 1 0 386.561 4.026 20 0 GIADRO C[N@H+](CCCCNC(=O)CSCc1ccc(Cl)cc1Cl)C1CC1 ZINC000457177221 822859210 /nfs/dbraw/zinc/85/92/10/822859210.db2.gz CEUCOUKOUFBMJM-UHFFFAOYSA-N 1 0 375.365 4.217 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCCc2occc21 ZINC000174943994 822859350 /nfs/dbraw/zinc/85/93/50/822859350.db2.gz XBTYOCRXPURWHZ-TZIWHRDSSA-N 1 0 381.520 4.211 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)Cc2coc(-c3ccccc3)n2)c1 ZINC000054032409 822859677 /nfs/dbraw/zinc/85/96/77/822859677.db2.gz XNMBAPHQTHKCGH-UHFFFAOYSA-N 1 0 377.488 4.042 20 0 GIADRO O=C(c1cncs1)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457193258 822859811 /nfs/dbraw/zinc/85/98/11/822859811.db2.gz GQZMOEGJKNXDSM-FQEVSTJZSA-N 1 0 383.561 4.440 20 0 GIADRO Cc1cnc(C(=O)N2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000457197199 822860329 /nfs/dbraw/zinc/86/03/29/822860329.db2.gz TWMKFFBVQMNHQF-QHCPKHFHSA-N 1 0 392.547 4.082 20 0 GIADRO O=C(c1cscn1)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457197756 822860341 /nfs/dbraw/zinc/86/03/41/822860341.db2.gz VVCQBYWHVZKCLR-NRFANRHFSA-N 1 0 383.561 4.440 20 0 GIADRO Cc1cc(CC(=O)N2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)no1 ZINC000457197216 822860365 /nfs/dbraw/zinc/86/03/65/822860365.db2.gz UIKUEXBZZWERCB-QHCPKHFHSA-N 1 0 395.547 4.209 20 0 GIADRO CC(C)c1nc([C@H](C)[NH2+]C[C@@H](c2ccc(F)cc2)N2CCOCC2)cs1 ZINC000186205545 822860703 /nfs/dbraw/zinc/86/07/03/822860703.db2.gz ZUGIURKXBPNOSG-KXBFYZLASA-N 1 0 377.529 4.130 20 0 GIADRO CC[C@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1cc(Br)ccc1O ZINC000186207704 822860968 /nfs/dbraw/zinc/86/09/68/822860968.db2.gz DLKXYIPMSFPUCT-QAPCUYQASA-N 1 0 378.310 4.362 20 0 GIADRO CN(Cc1nnc(-c2ccccc2Cl)o1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000174955955 822860885 /nfs/dbraw/zinc/86/08/85/822860885.db2.gz DOSDQSMKINJYSJ-SFHVURJKSA-N 1 0 396.922 4.486 20 0 GIADRO Cc1cccc2c(CCC(=O)N(C)C[C@H]3CC[N@H+](Cc4ccccc4)C3)c[nH]c21 ZINC000174957026 822861046 /nfs/dbraw/zinc/86/10/46/822861046.db2.gz LPZNHJOUJIFERS-OAQYLSRUSA-N 1 0 389.543 4.389 20 0 GIADRO Cc1ccc(NC(=O)/C=C/c2ccccc2Cl)cc1NC(=O)CC[NH+](C)C ZINC000186208072 822861078 /nfs/dbraw/zinc/86/10/78/822861078.db2.gz NLUCZPRIYZFJDC-PKNBQFBNSA-N 1 0 385.895 4.191 20 0 GIADRO CN(Cc1ccc(Cl)s1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000054092864 822862045 /nfs/dbraw/zinc/86/20/45/822862045.db2.gz KUDMYTZIDZBSEU-UHFFFAOYSA-N 1 0 377.941 4.339 20 0 GIADRO COC[C@@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)c1ccc(F)c(F)c1 ZINC000186225463 822862462 /nfs/dbraw/zinc/86/24/62/822862462.db2.gz CEXOMKSTPZAYRT-MGPLVRAMSA-N 1 0 386.236 4.471 20 0 GIADRO Cc1ccc(-c2cc(C(=O)N(C)C[C@H]3CC[N@H+](Cc4ccccc4)C3)on2)cc1 ZINC000174969146 822862550 /nfs/dbraw/zinc/86/25/50/822862550.db2.gz YYVBPOSZCJKACQ-HXUWFJFHSA-N 1 0 389.499 4.244 20 0 GIADRO CC[C@@H](C(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1)c1ccc(F)cc1 ZINC000186228104 822862783 /nfs/dbraw/zinc/86/27/83/822862783.db2.gz SJVKCZLNHLVPKO-LJQANCHMSA-N 1 0 385.483 4.157 20 0 GIADRO Cc1ccc(NC(=O)C2(Cc3ccccc3)CCC2)cc1NC(=O)CC[NH+](C)C ZINC000186234917 822863559 /nfs/dbraw/zinc/86/35/59/822863559.db2.gz OOUHMWAGMKMFQL-UHFFFAOYSA-N 1 0 393.531 4.237 20 0 GIADRO Cc1ccc(NC(=O)C/C=C/c2cccc(F)c2)cc1NC(=O)CC[NH+](C)C ZINC000186238054 822863781 /nfs/dbraw/zinc/86/37/81/822863781.db2.gz VSWNKNSWBPYXTA-FNORWQNLSA-N 1 0 383.467 4.066 20 0 GIADRO Cc1ccc(NC(=O)[C@@]2(C)CCCc3ccccc32)cc1NC(=O)CC[NH+](C)C ZINC000186244418 822864161 /nfs/dbraw/zinc/86/41/61/822864161.db2.gz QBVXTTBZAJHVHO-DEOSSOPVSA-N 1 0 393.531 4.118 20 0 GIADRO COc1cc(NC(=O)N(CC[NH+](C)C)Cc2cccs2)ccc1OC(C)C ZINC000186248540 822864602 /nfs/dbraw/zinc/86/46/02/822864602.db2.gz PHMLCTCTLFOOOZ-UHFFFAOYSA-N 1 0 391.537 4.140 20 0 GIADRO CC(C)n1c(-c2ccccn2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000568959827 822865246 /nfs/dbraw/zinc/86/52/46/822865246.db2.gz LWKWYSYREGRJHX-RTBURBONSA-N 1 0 382.556 4.012 20 0 GIADRO Cc1ccc(C[C@@H](NC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c2ccccn2)cc1 ZINC000174999546 822865640 /nfs/dbraw/zinc/86/56/40/822865640.db2.gz GPIMGVHQPMVBQS-JTHBVZDNSA-N 1 0 394.563 4.190 20 0 GIADRO O[C@@H](COc1ccc(Sc2ccncc2)cc1)C[N@@H+]1CCc2ccccc2C1 ZINC000568963967 822865716 /nfs/dbraw/zinc/86/57/16/822865716.db2.gz KMAWDUXDJDGFAT-HXUWFJFHSA-N 1 0 392.524 4.031 20 0 GIADRO Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000175007229 822866279 /nfs/dbraw/zinc/86/62/79/822866279.db2.gz QYOSNXVTDYUTTB-OAHLLOKOSA-N 1 0 396.535 4.003 20 0 GIADRO CCCOc1ccc(C(F)(F)F)cc1NC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000568971738 822866609 /nfs/dbraw/zinc/86/66/09/822866609.db2.gz KRCCYBPVMJVBGZ-HUUCEWRRSA-N 1 0 399.457 4.348 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)N2CC[C@H](CSc3ccccc3)C2)c1 ZINC000175011148 822866944 /nfs/dbraw/zinc/86/69/44/822866944.db2.gz DVFOFBHLVAXKRL-FQEVSTJZSA-N 1 0 383.561 4.072 20 0 GIADRO COc1cc(NC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)ccc1OC(C)C ZINC000186267864 822867474 /nfs/dbraw/zinc/86/74/74/822867474.db2.gz AHULAAUYMSERPP-IRXDYDNUSA-N 1 0 389.540 4.257 20 0 GIADRO C[C@@H](c1ccc(F)cc1)N(C)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000054218767 822868984 /nfs/dbraw/zinc/86/89/84/822868984.db2.gz IACALIQZUFVEQX-YJBOKZPZSA-N 1 0 375.513 4.427 20 0 GIADRO Cc1nc(NC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)sc1C(F)(F)F ZINC000569006328 822868996 /nfs/dbraw/zinc/86/89/96/822868996.db2.gz OXEPWQNLDPNEOB-LBPRGKRZSA-N 1 0 390.406 4.034 20 0 GIADRO COC(=O)c1sccc1C[NH2+][C@@H]1CCN(C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000569010254 822869168 /nfs/dbraw/zinc/86/91/68/822869168.db2.gz IWXQRNVNSMXGFW-QZTJIDSGSA-N 1 0 394.487 4.127 20 0 GIADRO C[C@@H]1C[C@@H](CCNC(=O)Nc2cc(C3CC3)ccn2)C[N@@H+]1Cc1ccccc1 ZINC000569010754 822869400 /nfs/dbraw/zinc/86/94/00/822869400.db2.gz QSKGOUIWIFMEMU-IEBWSBKVSA-N 1 0 378.520 4.381 20 0 GIADRO COc1cccc(F)c1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000186283393 822870203 /nfs/dbraw/zinc/87/02/03/822870203.db2.gz LUUOSGHOQAGGRT-AZUAARDMSA-N 1 0 397.494 4.353 20 0 GIADRO CCn1cc(CC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)c2ccccc21 ZINC000175026442 822870180 /nfs/dbraw/zinc/87/01/80/822870180.db2.gz IARCZMBYRJHRNW-UHFFFAOYSA-N 1 0 389.543 4.327 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2F)CC1 ZINC000175027231 822870441 /nfs/dbraw/zinc/87/04/41/822870441.db2.gz PGORQTLFPFTTOB-NHCUHLMSSA-N 1 0 384.470 4.191 20 0 GIADRO Cc1ccc(-c2nc(C(=O)N3CC[C@@H](c4ccc(F)cc4)[C@H]([NH3+])C3)cs2)cc1 ZINC000457369133 822870724 /nfs/dbraw/zinc/87/07/24/822870724.db2.gz MSTQRVYNPPAARS-RBUKOAKNSA-N 1 0 395.503 4.215 20 0 GIADRO Cc1ccc(-c2nc(C(=O)N3CC[C@H](c4ccc(F)cc4)[C@H]([NH3+])C3)cs2)cc1 ZINC000457369146 822870799 /nfs/dbraw/zinc/87/07/99/822870799.db2.gz MSTQRVYNPPAARS-RTBURBONSA-N 1 0 395.503 4.215 20 0 GIADRO [NH3+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2c(F)cccc2Cl)CC[C@H]1c1ccc(F)cc1 ZINC000457368724 822870813 /nfs/dbraw/zinc/87/08/13/822870813.db2.gz FUKJEHDYEKPJHR-YIOZNXECSA-N 1 0 390.861 4.065 20 0 GIADRO CCc1cc(N2CCC([NH2+][C@H](C)c3ccccc3Br)CC2)ncn1 ZINC000175030220 822870948 /nfs/dbraw/zinc/87/09/48/822870948.db2.gz AISALLJCVWCLMQ-CQSZACIVSA-N 1 0 389.341 4.121 20 0 GIADRO COC[C@H]([NH2+]Cc1cc2c(c(Br)c1)OCO2)c1cccc(Cl)c1 ZINC000569029653 822870960 /nfs/dbraw/zinc/87/09/60/822870960.db2.gz GCFKFFYSJAPMOS-HNNXBMFYSA-N 1 0 398.684 4.309 20 0 GIADRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000457373326 822871068 /nfs/dbraw/zinc/87/10/68/822871068.db2.gz KGSGCPUUWJPYPE-TZIWHRDSSA-N 1 0 379.504 4.353 20 0 GIADRO COc1ccc([C@@H]2CCN(C(=O)[C@H](C)c3cc4ccccc4o3)C[C@H]2[NH3+])cc1F ZINC000457389243 822872184 /nfs/dbraw/zinc/87/21/84/822872184.db2.gz VXQGAIDNDCTGPZ-DKSSEZFCSA-N 1 0 396.462 4.027 20 0 GIADRO CSC[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000569040240 822872373 /nfs/dbraw/zinc/87/23/73/822872373.db2.gz BSFOATLCJZIOPJ-KBXCAEBGSA-N 1 0 396.478 4.404 20 0 GIADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Cc2csc(-c3cccs3)n2)C1 ZINC000054286811 822873235 /nfs/dbraw/zinc/87/32/35/822873235.db2.gz JCCFEXGRDLXOFH-AWEZNQCLSA-N 1 0 377.579 4.041 20 0 GIADRO Fc1cccc(C[N@@H+]2CCC[C@H](c3nc(-c4ncsc4Cl)no3)C2)c1 ZINC000569050704 822873901 /nfs/dbraw/zinc/87/39/01/822873901.db2.gz ZSYYTLFRCRXVGP-LBPRGKRZSA-N 1 0 378.860 4.365 20 0 GIADRO CCN(C(=O)c1oc(-c2ccccc2)nc1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186310231 822874465 /nfs/dbraw/zinc/87/44/65/822874465.db2.gz PTTRJPIMOVRFCR-NRFANRHFSA-N 1 0 389.499 4.387 20 0 GIADRO CC(C)C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)CN(C)C2)c1ccc(Cl)cc1 ZINC000175054597 822874763 /nfs/dbraw/zinc/87/47/63/822874763.db2.gz CIYQWRRMOWXPAN-HXUWFJFHSA-N 1 0 399.922 4.128 20 0 GIADRO CC(C)(Cc1ccc(Cl)cc1)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000457442765 822875337 /nfs/dbraw/zinc/87/53/37/822875337.db2.gz ATNLDIWNIKAWDI-UHFFFAOYSA-N 1 0 385.939 4.085 20 0 GIADRO CC(C)Oc1ccccc1NC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000175060721 822875697 /nfs/dbraw/zinc/87/56/97/822875697.db2.gz UUPAGFZNLRMVBD-FQEVSTJZSA-N 1 0 381.520 4.460 20 0 GIADRO CCN(C(=O)c1coc(-c2ccccc2)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186319073 822875816 /nfs/dbraw/zinc/87/58/16/822875816.db2.gz XSVQELQCBOTBEY-FQEVSTJZSA-N 1 0 375.472 4.078 20 0 GIADRO COc1cc(C[NH2+]C[C@@H]2CCCO[C@@H]2C(C)C)ccc1OCc1ccncc1 ZINC000175062246 822876009 /nfs/dbraw/zinc/87/60/09/822876009.db2.gz WOZSDBGFEQSTMJ-NZQKXSOJSA-N 1 0 384.520 4.210 20 0 GIADRO Cc1ccc(OCc2cccc(C(=O)N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C(C)C)c2)cn1 ZINC000175062789 822876116 /nfs/dbraw/zinc/87/61/16/822876116.db2.gz AOUXWECZCOWTJN-YADHBBJMSA-N 1 0 393.531 4.056 20 0 GIADRO COc1ccc(C[NH2+]C[C@@H]2CCCO[C@@H]2C(C)C)cc1OCc1cccnc1 ZINC000175063864 822876424 /nfs/dbraw/zinc/87/64/24/822876424.db2.gz PQWBKYGCXTYBJA-NZQKXSOJSA-N 1 0 384.520 4.210 20 0 GIADRO Cn1cc(-c2ncc(C[NH2+][C@@H]3CCC[C@H](c4ccc(Cl)cc4)C3)cn2)cn1 ZINC000569069675 822876550 /nfs/dbraw/zinc/87/65/50/822876550.db2.gz AYGYHUHWTRZQRI-FXAWDEMLSA-N 1 0 381.911 4.347 20 0 GIADRO C[N@@H+]1CCN(CCC(=O)Nc2c(Cl)cccc2Cl)C2(CCCCC2)C1 ZINC000175065229 822876568 /nfs/dbraw/zinc/87/65/68/822876568.db2.gz CSRNIMFRXOWVRE-UHFFFAOYSA-N 1 0 384.351 4.272 20 0 GIADRO CC1CCN(C(=O)C2CC[NH+](Cc3cc(Cl)cc4cccnc43)CC2)CC1 ZINC000054337305 822876804 /nfs/dbraw/zinc/87/68/04/822876804.db2.gz PYZRIPDZJDWLHS-UHFFFAOYSA-N 1 0 385.939 4.359 20 0 GIADRO Cc1ccc(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c(-c2nc(C3CC3)no2)c1 ZINC000175068513 822877070 /nfs/dbraw/zinc/87/70/70/822877070.db2.gz HRKYVNKUWWOKJA-QGZVFWFLSA-N 1 0 395.507 4.015 20 0 GIADRO CCc1ccc([C@@H](C)NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000457460926 822877268 /nfs/dbraw/zinc/87/72/68/822877268.db2.gz OBYUAMKRBGDDEA-OAHLLOKOSA-N 1 0 385.474 4.368 20 0 GIADRO CC1(C)CN(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)[C@@H]1c1ccncc1 ZINC000457462939 822877433 /nfs/dbraw/zinc/87/74/33/822877433.db2.gz UHIBEUOVWQVTFT-IEBWSBKVSA-N 1 0 384.549 4.073 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)N1CCC(C(F)(F)F)CC1)c1ccsc1 ZINC000175074265 822877853 /nfs/dbraw/zinc/87/78/53/822877853.db2.gz ISEVUMVHQRKFQB-OAHLLOKOSA-N 1 0 377.476 4.115 20 0 GIADRO O=C(Nc1ccc(OCC(F)(F)F)cc1)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000569083092 822878222 /nfs/dbraw/zinc/87/82/22/822878222.db2.gz BEPWCWKWZSYKOC-YOEHRIQHSA-N 1 0 385.430 4.014 20 0 GIADRO Cc1ccc(F)cc1NC(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000175077155 822878271 /nfs/dbraw/zinc/87/82/71/822878271.db2.gz NVBXDXLVKDCWLE-UHFFFAOYSA-N 1 0 399.510 4.327 20 0 GIADRO O=C(Nc1ccc(OCC(F)(F)F)cc1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000569083089 822878290 /nfs/dbraw/zinc/87/82/90/822878290.db2.gz BEPWCWKWZSYKOC-PBHICJAKSA-N 1 0 385.430 4.014 20 0 GIADRO CC(C)C[C@@H](CNC(=O)c1coc(C2CCOCC2)n1)[NH2+][C@H](C)c1ccccc1 ZINC000569083532 822878436 /nfs/dbraw/zinc/87/84/36/822878436.db2.gz WELVHMWOPXFWLZ-XLIONFOSSA-N 1 0 399.535 4.064 20 0 GIADRO O=C(Nc1ccc(OCc2ccncc2)cc1)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000569083470 822878538 /nfs/dbraw/zinc/87/85/38/822878538.db2.gz QDPIPWHYMJASDD-UGKGYDQZSA-N 1 0 394.519 4.047 20 0 GIADRO CCO[C@@H]1C[C@@H](Nc2cc[nH+]c3cc(C(F)(F)F)ccc23)[C@@H]1n1cccn1 ZINC000569091181 822879443 /nfs/dbraw/zinc/87/94/43/822879443.db2.gz QLPWUANGTUIJHF-KURKYZTESA-N 1 0 376.382 4.281 20 0 GIADRO C[C@H](Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1)c1ccc2ccccc2c1O ZINC000186349969 822879909 /nfs/dbraw/zinc/87/99/09/822879909.db2.gz CYXLXODHIDXLEU-KSFYIVLOSA-N 1 0 389.499 4.168 20 0 GIADRO CC(C)c1nc([C@H](C)[NH2+]C[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)cs1 ZINC000186351618 822880397 /nfs/dbraw/zinc/88/03/97/822880397.db2.gz OPHNAYIEQYHXDG-XHDPSFHLSA-N 1 0 382.913 4.075 20 0 GIADRO CC1(C)OCc2cc(CNc3cccc(C[NH+]4CCSCC4)c3)ccc2O1 ZINC000186355242 822880805 /nfs/dbraw/zinc/88/08/05/822880805.db2.gz ILPIPXPTBAFRSV-UHFFFAOYSA-N 1 0 384.545 4.493 20 0 GIADRO CC(=O)Nc1cccc2c1CC[N@H+](Cc1ccc(C(=O)Nc3ccccc3)cc1)C2 ZINC000054390249 822880879 /nfs/dbraw/zinc/88/08/79/822880879.db2.gz NHBWHSCDUYDJNP-UHFFFAOYSA-N 1 0 399.494 4.456 20 0 GIADRO C[C@@H]([NH2+]C1CCC(O)(c2cccnc2)CC1)c1ccc(Br)s1 ZINC000186354555 822880954 /nfs/dbraw/zinc/88/09/54/822880954.db2.gz MUNSSEKTQGSXHG-RFSCMCKOSA-N 1 0 381.339 4.387 20 0 GIADRO CCc1noc(-c2ccc(C)c(NC(=O)c3cccc(C[NH+]4CCCC4)c3)c2)n1 ZINC000175098524 822881817 /nfs/dbraw/zinc/88/18/17/822881817.db2.gz KPJKSRJESQDALW-UHFFFAOYSA-N 1 0 390.487 4.456 20 0 GIADRO CC[C@H](NC(=O)NCC[N@@H+]1CCCC[C@@H]1CC)c1nc(C(F)(F)F)cs1 ZINC000175100708 822882220 /nfs/dbraw/zinc/88/22/20/822882220.db2.gz LGCDQLSZBUYZKK-STQMWFEESA-N 1 0 392.491 4.177 20 0 GIADRO CCc1noc(-c2ccc(C)c(NC(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)c2)n1 ZINC000175100523 822882264 /nfs/dbraw/zinc/88/22/64/822882264.db2.gz MTVHFISSUWCAPV-KRWDZBQOSA-N 1 0 382.508 4.201 20 0 GIADRO O=C(Nc1ccc(NC(=O)N2CCCCCC2)cc1)C1C[NH+](C2CCCCC2)C1 ZINC000457502336 822882837 /nfs/dbraw/zinc/88/28/37/822882837.db2.gz KLSNGHOCJLCDMD-UHFFFAOYSA-N 1 0 398.551 4.298 20 0 GIADRO COc1ccccc1[C@H](C[NH2+][C@H](C)c1cnc2cc(C)nn2c1C)OC(C)C ZINC000186375398 822884144 /nfs/dbraw/zinc/88/41/44/822884144.db2.gz WIBSNGOLMFNANF-IERDGZPVSA-N 1 0 382.508 4.172 20 0 GIADRO COc1ccccc1[C@H](C[NH2+][C@H](C)c1ccc([S@](C)=O)cc1)OC(C)C ZINC000186375141 822884234 /nfs/dbraw/zinc/88/42/34/822884234.db2.gz GKQVCKULKSIYKL-LVARUYSCSA-N 1 0 375.534 4.250 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)CC1 ZINC000175111714 822884375 /nfs/dbraw/zinc/88/43/75/822884375.db2.gz KYWFCLYSXYIWSV-UHFFFAOYSA-N 1 0 386.462 4.110 20 0 GIADRO O=C(CC[NH+]1CCN(Cc2ccco2)CC1)Nc1ccccc1-c1ccccc1 ZINC000054428866 822884442 /nfs/dbraw/zinc/88/44/42/822884442.db2.gz UPGWOTJUKJFPAH-UHFFFAOYSA-N 1 0 389.499 4.093 20 0 GIADRO CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000175115557 822885171 /nfs/dbraw/zinc/88/51/71/822885171.db2.gz XDRSYPUKHHHUGH-UHFFFAOYSA-N 1 0 393.959 4.364 20 0 GIADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H](OC(C)C)c2ccccc2OC)C[C@@H]1C ZINC000186383758 822885643 /nfs/dbraw/zinc/88/56/43/822885643.db2.gz PCQNIGSHZJVYGI-UGNRZPKXSA-N 1 0 377.525 4.119 20 0 GIADRO COc1ccccc1[C@@H](C[NH2+][C@H](c1cnn(C)c1)c1cccc(F)c1)OC(C)C ZINC000186383219 822885652 /nfs/dbraw/zinc/88/56/52/822885652.db2.gz MNTAISMUONSDDV-PKTZIBPZSA-N 1 0 397.494 4.413 20 0 GIADRO Cc1c2cc(F)ccc2sc1C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000175118680 822885614 /nfs/dbraw/zinc/88/56/14/822885614.db2.gz VONAXYJQGUHRIA-UHFFFAOYSA-N 1 0 390.524 4.066 20 0 GIADRO CN(C)[C@@H](C[NH2+]Cc1ccc2c(c1)COC(C)(C)O2)c1c(F)cccc1F ZINC000186386978 822886119 /nfs/dbraw/zinc/88/61/19/822886119.db2.gz HLENTFYBVGGZJN-SFHVURJKSA-N 1 0 376.447 4.002 20 0 GIADRO CC[NH+](CC)CC1CCN(C(=O)c2ccc(Oc3cccc(F)c3)cn2)CC1 ZINC000457529917 822886443 /nfs/dbraw/zinc/88/64/43/822886443.db2.gz VSVZNJMWQCKDCL-UHFFFAOYSA-N 1 0 385.483 4.207 20 0 GIADRO CC1(C)OCc2cc(C[NH2+]CCC3CCN(CC(F)(F)F)CC3)ccc2O1 ZINC000186394750 822887292 /nfs/dbraw/zinc/88/72/92/822887292.db2.gz ZFURNLBMPYVVQK-UHFFFAOYSA-N 1 0 386.458 4.086 20 0 GIADRO CC[C@@H](CC(F)F)C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000457545876 822888851 /nfs/dbraw/zinc/88/88/51/822888851.db2.gz YQQHRIDPUUWEBJ-HNNXBMFYSA-N 1 0 381.467 4.121 20 0 GIADRO CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3ccc4c(c3)COC(C)(C)O4)ccc2NC1=O ZINC000186408002 822889616 /nfs/dbraw/zinc/88/96/16/822889616.db2.gz PNMCDMBSFOMZCF-LIRRHRJNSA-N 1 0 396.487 4.292 20 0 GIADRO C[C@@H]([NH2+]CCc1cn(C)c2cc(F)ccc12)c1cccc(N2CCOC2=O)c1 ZINC000186416544 822891193 /nfs/dbraw/zinc/89/11/93/822891193.db2.gz KNJYLJBPNDPJNX-OAHLLOKOSA-N 1 0 381.451 4.167 20 0 GIADRO Cc1cc(Br)c(C(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)s1 ZINC000457562297 822891502 /nfs/dbraw/zinc/89/15/02/822891502.db2.gz UMRHINPPGFOTLA-UHFFFAOYSA-N 1 0 397.338 4.149 20 0 GIADRO CCC[N@@H+]1CC[C@H](CNC(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)C1 ZINC000054511059 822891842 /nfs/dbraw/zinc/89/18/42/822891842.db2.gz KCTYYHNPYSPAKO-OAHLLOKOSA-N 1 0 383.458 4.111 20 0 GIADRO CN(C)C(=O)c1ccccc1C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000569203051 822892434 /nfs/dbraw/zinc/89/24/34/822892434.db2.gz IKQQIUSBHJKOFL-KRWDZBQOSA-N 1 0 379.529 4.378 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)NCCc2ccc(Cl)s2)[C@@H]1c1cccs1 ZINC000175151194 822892766 /nfs/dbraw/zinc/89/27/66/822892766.db2.gz RXJONTBSDMUWDP-SUMWQHHRSA-N 1 0 397.997 4.388 20 0 GIADRO O=C(NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000569228735 822894649 /nfs/dbraw/zinc/89/46/49/822894649.db2.gz GRBIYHQASHESCL-CBZIJGRNSA-N 1 0 386.433 4.004 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)COCc2cccc(Cl)c2)[C@H]1c1cccs1 ZINC000457588821 822895406 /nfs/dbraw/zinc/89/54/06/822895406.db2.gz DFZMJDSTTMVIJT-UZLBHIALSA-N 1 0 392.952 4.117 20 0 GIADRO Cc1ccc(Oc2ccc(C(=O)N3CC[C@@H](C[NH+]4CCCCC4)C3)nc2)cc1 ZINC000457607469 822896825 /nfs/dbraw/zinc/89/68/25/822896825.db2.gz RKIJSFODDLJPBV-IBGZPJMESA-N 1 0 379.504 4.130 20 0 GIADRO CCC(CC)[C@H](CNC(=O)N[C@H]1CCO[C@H](c2cccs2)C1)[NH+]1CCCC1 ZINC000457620791 822897934 /nfs/dbraw/zinc/89/79/34/822897934.db2.gz QANZFCCQAIGKMD-FHWLQOOXSA-N 1 0 393.597 4.168 20 0 GIADRO C[C@@H](NC(=O)NC(C)(C)CCC[NH+](C)C)c1ccc(OC(F)(F)F)cc1 ZINC000457623404 822898208 /nfs/dbraw/zinc/89/82/08/822898208.db2.gz FSAOFUJAHFCAPV-CYBMUJFWSA-N 1 0 375.435 4.066 20 0 GIADRO CCC(=O)Nc1ccc(Cl)c(NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000175180025 822898739 /nfs/dbraw/zinc/89/87/39/822898739.db2.gz VFYDKHVKHSWYIM-OAHLLOKOSA-N 1 0 380.920 4.027 20 0 GIADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC2(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000569271630 822898940 /nfs/dbraw/zinc/89/89/40/822898940.db2.gz CUSRPSDVJOBLRO-HNNXBMFYSA-N 1 0 383.458 4.114 20 0 GIADRO CN(Cc1cc2ccccc2o1)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000175182594 822899510 /nfs/dbraw/zinc/89/95/10/822899510.db2.gz JTVMRIMNMOTIBD-SFHVURJKSA-N 1 0 383.517 4.473 20 0 GIADRO C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000457640403 822899867 /nfs/dbraw/zinc/89/98/67/822899867.db2.gz QZDMAYXFSATGMH-PWHSHALESA-N 1 0 392.547 4.022 20 0 GIADRO Cc1ccc(SC[C@H](C)[NH2+][C@H](C)c2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000186471248 822900838 /nfs/dbraw/zinc/90/08/38/822900838.db2.gz YBVRVMBKBZVJJG-JKSUJKDBSA-N 1 0 378.563 4.198 20 0 GIADRO CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]CCc1nn(C)c2ccccc12 ZINC000186476704 822901544 /nfs/dbraw/zinc/90/15/44/822901544.db2.gz BHYNBONUPLDGSM-KRWDZBQOSA-N 1 0 378.520 4.246 20 0 GIADRO CC(C)(C)c1nn(Cc2ccccc2)cc1C[N@@H+]1CCSC2(CCOCC2)C1 ZINC000186484023 822902709 /nfs/dbraw/zinc/90/27/09/822902709.db2.gz PUULGTUSCUEFIV-UHFFFAOYSA-N 1 0 399.604 4.327 20 0 GIADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(COCc3ccccc3)cc2)C1 ZINC000457660697 822902936 /nfs/dbraw/zinc/90/29/36/822902936.db2.gz GMWUIOYXWJVVHG-HSZRJFAPSA-N 1 0 395.547 4.028 20 0 GIADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(COCc3ccccc3)cc2)C1 ZINC000457660699 822902968 /nfs/dbraw/zinc/90/29/68/822902968.db2.gz GMWUIOYXWJVVHG-QHCPKHFHSA-N 1 0 395.547 4.028 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)NCCc2cc3ccccc3o2)[C@@H]1c1cccs1 ZINC000175201097 822903090 /nfs/dbraw/zinc/90/30/90/822903090.db2.gz UQGDOOLBXSRLPA-LAUBAEHRSA-N 1 0 397.544 4.419 20 0 GIADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(Oc3cccc(Cl)c3)cn2)C1 ZINC000457669770 822904188 /nfs/dbraw/zinc/90/41/88/822904188.db2.gz NSRBHESFJWRWDX-FOIQADDNSA-N 1 0 385.895 4.084 20 0 GIADRO CSc1cccc(N(C(=O)/C=C/c2scnc2C)C2CC[NH+](C)CC2)c1 ZINC000186494707 822904700 /nfs/dbraw/zinc/90/47/00/822904700.db2.gz QRQQFKCOCODICZ-BQYQJAHWSA-N 1 0 387.574 4.314 20 0 GIADRO CC(C)(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CCSC2(CCOCC2)C1 ZINC000186500208 822905227 /nfs/dbraw/zinc/90/52/27/822905227.db2.gz XCXUHLRAAXEMLW-UHFFFAOYSA-N 1 0 385.577 4.268 20 0 GIADRO Cc1cccc([C@H]2CCCN2C(=O)NC2CC[NH+](Cc3ccncc3)CC2)c1C ZINC000175212339 822905469 /nfs/dbraw/zinc/90/54/69/822905469.db2.gz DSAOKWSTWWWMEP-HSZRJFAPSA-N 1 0 392.547 4.210 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)CC1 ZINC000175215953 822906544 /nfs/dbraw/zinc/90/65/44/822906544.db2.gz NILNLVVEKFCCTF-UHFFFAOYSA-N 1 0 397.567 4.298 20 0 GIADRO CC(C)c1nccn1Cc1cccc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000175216370 822906641 /nfs/dbraw/zinc/90/66/41/822906641.db2.gz MWLMKLKUKZSWAS-XLIONFOSSA-N 1 0 383.540 4.001 20 0 GIADRO CO[C@H](C)c1nc(CN2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)cs1 ZINC000175218636 822907271 /nfs/dbraw/zinc/90/72/71/822907271.db2.gz OXMAEADRULGERR-ACJLOTCBSA-N 1 0 380.941 4.450 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N(C)Cc2nc3ccccc3s2)C1 ZINC000054718029 822907403 /nfs/dbraw/zinc/90/74/03/822907403.db2.gz RFCJBEFQRILKEZ-AEFFLSMTSA-N 1 0 394.544 4.273 20 0 GIADRO CC[NH+](CC)CCOc1ccc(NC(=O)c2ccc(-c3cnco3)cc2)cc1 ZINC000054725096 822907845 /nfs/dbraw/zinc/90/78/45/822907845.db2.gz XFYHJCSFJZQWLC-UHFFFAOYSA-N 1 0 379.460 4.315 20 0 GIADRO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)N1C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000457701042 822908335 /nfs/dbraw/zinc/90/83/35/822908335.db2.gz HTHNKYUMSPPFPD-MXYBEHONSA-N 1 0 377.476 4.112 20 0 GIADRO CC[N@H+](Cc1ccc(-c2nc(CC(=O)Nc3ccccc3C)no2)cc1)C(C)C ZINC000569339648 822909185 /nfs/dbraw/zinc/90/91/85/822909185.db2.gz IOFHIDNJLONGTF-UHFFFAOYSA-N 1 0 392.503 4.457 20 0 GIADRO CN(C(=O)NCC(C)(C)c1ccccc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457719778 822910439 /nfs/dbraw/zinc/91/04/39/822910439.db2.gz BOMCWAJRHMPFOH-UHFFFAOYSA-N 1 0 385.474 4.022 20 0 GIADRO O=C(NCCC[C@@H]1CCC[NH2+]1)[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000569350641 822910577 /nfs/dbraw/zinc/91/05/77/822910577.db2.gz QMKCPMHVNBUSBG-WWNPGLIZSA-N 1 0 378.516 4.018 20 0 GIADRO COc1ccc([C@@H](CN(C)C)[NH2+][C@@H](C)CC(=O)Nc2ccccc2C(C)C)cc1 ZINC000569364441 822911563 /nfs/dbraw/zinc/91/15/63/822911563.db2.gz RHUWLCCDMROPIJ-FDDCHVKYSA-N 1 0 397.563 4.428 20 0 GIADRO CC(=O)Nc1cc(NC(=O)c2ccccc2CC2CC[NH2+]CC2)ccc1Cl ZINC000569364024 822911611 /nfs/dbraw/zinc/91/16/11/822911611.db2.gz WQVIXTIBWULEPT-UHFFFAOYSA-N 1 0 385.895 4.093 20 0 GIADRO CC(C)Oc1cccc([C@@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccsc2)c1 ZINC000457728751 822911861 /nfs/dbraw/zinc/91/18/61/822911861.db2.gz JWLXAEDVDAELHZ-QGZVFWFLSA-N 1 0 389.565 4.370 20 0 GIADRO Cc1csc([C@@H](C)C[NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)n1 ZINC000186562905 822913729 /nfs/dbraw/zinc/91/37/29/822913729.db2.gz FOZCBXDDONCQGF-NWDGAFQWSA-N 1 0 396.354 4.324 20 0 GIADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CC(c3cccc(C(F)(F)F)c3)C2)C1 ZINC000457746865 822913939 /nfs/dbraw/zinc/91/39/39/822913939.db2.gz SZTGWPBALORSEY-MRXNPFEDSA-N 1 0 397.485 4.326 20 0 GIADRO COc1ccc(C2(C[NH2+][C@H]3CCN(C)[C@H](c4ccccc4)C3)CCOCC2)cc1 ZINC000569386526 822914426 /nfs/dbraw/zinc/91/44/26/822914426.db2.gz HXFXBISIUCEGGO-UPVQGACJSA-N 1 0 394.559 4.169 20 0 GIADRO COc1ccc([C@@H](NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)c2ccco2)cc1 ZINC000457752315 822914810 /nfs/dbraw/zinc/91/48/10/822914810.db2.gz XCPZTNMDMSDOGV-PGRDOPGGSA-N 1 0 399.535 4.331 20 0 GIADRO O=C([C@H]1CC[N@H+](Cc2cccc(OCCCc3ccccc3)c2)C1)N1CCCC1 ZINC000569392538 822915692 /nfs/dbraw/zinc/91/56/92/822915692.db2.gz PAAACHWGRBFTBU-QHCPKHFHSA-N 1 0 392.543 4.143 20 0 GIADRO Cc1ccc([C@H]([NH2+]CCSC(C)C)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000569396161 822916280 /nfs/dbraw/zinc/91/62/80/822916280.db2.gz DDOYJQWVNMMBRN-FQEVSTJZSA-N 1 0 377.575 4.219 20 0 GIADRO COc1ccc([C@H](C[NH2+]CC2CCC(C(F)(F)F)CC2)N(C)C)cc1OC ZINC000186578243 822916608 /nfs/dbraw/zinc/91/66/08/822916608.db2.gz VJWHTTQPBQJQET-PREGVCBESA-N 1 0 388.474 4.265 20 0 GIADRO C[C@H]1C[C@H](c2cccnc2)N(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)C1 ZINC000186579424 822916761 /nfs/dbraw/zinc/91/67/61/822916761.db2.gz IHOMMVOUQVCKSJ-FTWXPCQCSA-N 1 0 384.568 4.217 20 0 GIADRO COc1ccc2nc(C[N@H+](C)[C@H](C)c3ccc(-n4cncn4)cc3)sc2c1 ZINC000186582812 822917302 /nfs/dbraw/zinc/91/73/02/822917302.db2.gz SPPVPOALXLIZOW-CQSZACIVSA-N 1 0 379.489 4.079 20 0 GIADRO COc1ccc(C[C@@H]([NH2+]Cc2cncc(OC)c2)c2ccc(OC)cc2)cc1 ZINC000569406225 822917836 /nfs/dbraw/zinc/91/78/36/822917836.db2.gz KLFHALGASMKTJL-HSZRJFAPSA-N 1 0 378.472 4.181 20 0 GIADRO O=C(CC(F)(F)F)NC[C@@H]1CCC[N@H+](Cc2c(Cl)oc3ccccc32)C1 ZINC000569411140 822918594 /nfs/dbraw/zinc/91/85/94/822918594.db2.gz XGOTYKOCUOJKTQ-LBPRGKRZSA-N 1 0 388.817 4.367 20 0 GIADRO Cc1cc(OCc2ccccc2)c(C(=O)NC2CC([NH+]3CCCCC3)C2)s1 ZINC000457780621 822918797 /nfs/dbraw/zinc/91/87/97/822918797.db2.gz JGYLRLSBMBXVGC-UHFFFAOYSA-N 1 0 384.545 4.382 20 0 GIADRO CN(C(=O)NC[C@H]1CCCc2ccccc21)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457783087 822918979 /nfs/dbraw/zinc/91/89/79/822918979.db2.gz LQMKMGKLHSMHET-QGZVFWFLSA-N 1 0 397.485 4.165 20 0 GIADRO Fc1cccc([C@@H]2CC[C@H]([NH2+][C@@H]3CCCc4c3cnn4-c3ncccn3)C2)c1 ZINC000569416582 822919809 /nfs/dbraw/zinc/91/98/09/822919809.db2.gz FJKDSVKDZWAPMV-IMFGXOCKSA-N 1 0 377.467 4.105 20 0 GIADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCC(F)(Cc2ccc(Cl)cc2)CC1 ZINC000457793023 822919804 /nfs/dbraw/zinc/91/98/04/822919804.db2.gz SMCSMOFLEMGPFD-OALUTQOASA-N 1 0 393.934 4.023 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)NCCCc1nccs1)c1ccccc1Cl ZINC000569417853 822920248 /nfs/dbraw/zinc/92/02/48/822920248.db2.gz CNYXJXMKCUYONJ-KRWDZBQOSA-N 1 0 394.972 4.111 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCC(=O)c1ccc(C)s1 ZINC000175269518 822920312 /nfs/dbraw/zinc/92/03/12/822920312.db2.gz VCNOJZORRNKERX-HXUWFJFHSA-N 1 0 398.572 4.390 20 0 GIADRO COc1cc2c(cc1F)CC[C@H]2[NH2+]C[C@H](O)COc1cccc2ccccc21 ZINC000569420698 822920778 /nfs/dbraw/zinc/92/07/78/822920778.db2.gz ULJYIXJVLSKUTG-LAUBAEHRSA-N 1 0 381.447 4.004 20 0 GIADRO CC(C)CCCCC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000457816087 822922252 /nfs/dbraw/zinc/92/22/52/822922252.db2.gz IUSITALJWFBGKA-JOCHJYFZSA-N 1 0 386.580 4.248 20 0 GIADRO COc1cccc([C@@H](CNC(=O)N(C)[C@@H](C)c2ccccc2)[NH+]2CCCC2)c1 ZINC000054921193 822922395 /nfs/dbraw/zinc/92/23/95/822922395.db2.gz NEALRWSZPOQGDG-PGRDOPGGSA-N 1 0 381.520 4.235 20 0 GIADRO O=C(c1cc2cc(F)ccc2s1)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000186605387 822922520 /nfs/dbraw/zinc/92/25/20/822922520.db2.gz KBTCUQHNRLWFQO-SFHVURJKSA-N 1 0 383.492 4.220 20 0 GIADRO O=C([C@@H]1C[C@@H]1c1cccc(Cl)c1)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000186608119 822923036 /nfs/dbraw/zinc/92/30/36/822923036.db2.gz JYHYZAQYTNMOIB-NJDAHSKKSA-N 1 0 383.923 4.009 20 0 GIADRO O=C1Nc2ccccc2C12CCC([NH2+]Cc1cc(Cl)cc3c1OCC3)CC2 ZINC000186613291 822923627 /nfs/dbraw/zinc/92/36/27/822923627.db2.gz JVAQWRWGKHZSSA-UHFFFAOYSA-N 1 0 382.891 4.197 20 0 GIADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(Oc2cccc(Cl)c2)cn1 ZINC000457832277 822923736 /nfs/dbraw/zinc/92/37/36/822923736.db2.gz YHCLENGYIPMURC-QRWLVFNGSA-N 1 0 385.895 4.226 20 0 GIADRO CC(C)Oc1ccc(/C=C/C(=O)N(Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000186614894 822923919 /nfs/dbraw/zinc/92/39/19/822923919.db2.gz AOKFLTHUPHLBJV-KCQSEKJDSA-N 1 0 393.531 4.053 20 0 GIADRO C[C@]1(NC(=O)Nc2nc(CC(F)(F)F)cs2)CC[N@H+](Cc2ccccc2)C1 ZINC000569460835 822925796 /nfs/dbraw/zinc/92/57/96/822925796.db2.gz KBPLUFLLPYUCGX-KRWDZBQOSA-N 1 0 398.454 4.034 20 0 GIADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)N(Cc1cccs1)c1ccc(F)cc1F ZINC000054971222 822926319 /nfs/dbraw/zinc/92/63/19/822926319.db2.gz KVXBJXVDMGRJGV-OAHLLOKOSA-N 1 0 395.544 4.392 20 0 GIADRO COc1ccccc1[C@@H](CNC(=S)Nc1ccccc1C#N)[NH+]1CCCCC1 ZINC000054971290 822926358 /nfs/dbraw/zinc/92/63/58/822926358.db2.gz ZOBDMXXILSHSRB-HXUWFJFHSA-N 1 0 394.544 4.080 20 0 GIADRO O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000569471234 822927074 /nfs/dbraw/zinc/92/70/74/822927074.db2.gz FHVKCSPMBPMJQZ-HKUYNNGSSA-N 1 0 394.412 4.458 20 0 GIADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C[C@@H](C)c1ccccc1F ZINC000175298674 822928413 /nfs/dbraw/zinc/92/84/13/822928413.db2.gz XEEOOBCBUHERPL-QGZVFWFLSA-N 1 0 399.510 4.109 20 0 GIADRO CC(C)N(CC[NH+]1CCCCCC1)C(=O)c1cnc2c(F)ccc(F)c2c1 ZINC000569490997 822928967 /nfs/dbraw/zinc/92/89/67/822928967.db2.gz KMRHZCQBBSBKEP-UHFFFAOYSA-N 1 0 375.463 4.240 20 0 GIADRO C[C@@H](CC(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21)n1ccnc1 ZINC000569490240 822928999 /nfs/dbraw/zinc/92/89/99/822928999.db2.gz WAIMLQGWOPEKBO-XJKSGUPXSA-N 1 0 384.480 4.291 20 0 GIADRO CCOCCOCc1cccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1C ZINC000175301085 822929059 /nfs/dbraw/zinc/92/90/59/822929059.db2.gz INDMNONDBUTLNI-QHCPKHFHSA-N 1 0 396.531 4.151 20 0 GIADRO COc1ccc(C[NH2+]CCCc2nc(-c3ccncc3)cs2)c(C)c1OC ZINC000569491487 822929175 /nfs/dbraw/zinc/92/91/75/822929175.db2.gz KCJIVAUFXZHWHX-UHFFFAOYSA-N 1 0 383.517 4.253 20 0 GIADRO CCc1cccc(CC)c1NC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000175301857 822929393 /nfs/dbraw/zinc/92/93/93/822929393.db2.gz IVIGTSAFQGCAJQ-UHFFFAOYSA-N 1 0 395.547 4.090 20 0 GIADRO COc1ccc(C(=O)C(C(=S)NC(C)C)[n+]2ccc(C(C)(C)C)cc2)cc1 ZINC000055009630 822930539 /nfs/dbraw/zinc/93/05/39/822930539.db2.gz SZYSPVWAMNJCQI-UHFFFAOYSA-O 1 0 385.553 4.217 20 0 GIADRO CCCN(CC[NH+]1CCCCCC1)C(=O)Cc1coc(-c2cccs2)n1 ZINC000569504891 822930899 /nfs/dbraw/zinc/93/08/99/822930899.db2.gz XJTLSLQPQLRZCF-UHFFFAOYSA-N 1 0 375.538 4.060 20 0 GIADRO C[N@@H+]1CCN(CC(=O)Nc2ccccc2-c2ccccc2)C[C@@H]1Cc1ccccc1 ZINC000569512401 822932351 /nfs/dbraw/zinc/93/23/51/822932351.db2.gz GVYYBYHBSLVEMU-QHCPKHFHSA-N 1 0 399.538 4.151 20 0 GIADRO FC(F)(F)c1ccc(Br)c(CN2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000569515846 822933065 /nfs/dbraw/zinc/93/30/65/822933065.db2.gz RBJDNEVSKSHLEE-CYBMUJFWSA-N 1 0 391.275 4.386 20 0 GIADRO Fc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C2CCN(C3CC3)CC2)cc1 ZINC000055043151 822933709 /nfs/dbraw/zinc/93/37/09/822933709.db2.gz MMVYARVPQKCLBF-UHFFFAOYSA-N 1 0 390.506 4.395 20 0 GIADRO COc1cccc([C@H](CNC(=O)N(C)[C@@H](C)c2cccs2)[NH+]2CCCC2)c1 ZINC000055046246 822934164 /nfs/dbraw/zinc/93/41/64/822934164.db2.gz WAXWFVJIPJADJG-LPHOPBHVSA-N 1 0 387.549 4.296 20 0 GIADRO Cc1cc(=O)[nH]c2cc(C(=O)Nc3ccc(OCC[NH+](C)C)c(Cl)c3)ccc12 ZINC000569528669 822934895 /nfs/dbraw/zinc/93/48/95/822934895.db2.gz MYXCURJMCQAYPZ-UHFFFAOYSA-N 1 0 399.878 4.095 20 0 GIADRO COc1ccc(NC(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)cc1SC ZINC000457919285 822935735 /nfs/dbraw/zinc/93/57/35/822935735.db2.gz XHKMCKGNBHDMCQ-CHWSQXEVSA-N 1 0 390.471 4.264 20 0 GIADRO Cc1sc2[nH]c(C[NH2+][C@@](C)(CO)C(C)C)nc(=O)c2c1-c1ccc(C)cc1 ZINC000569534005 822935998 /nfs/dbraw/zinc/93/59/98/822935998.db2.gz STBXPSMNAKYEIG-NRFANRHFSA-N 1 0 385.533 4.177 20 0 GIADRO CC[N@H+](CC[S@](=O)c1cc(Cl)ccc1Cl)[C@H]1CCOC(C)(C)C1 ZINC000569533868 822936046 /nfs/dbraw/zinc/93/60/46/822936046.db2.gz QNXREFYFNKDJTM-PSLXWICFSA-N 1 0 378.365 4.381 20 0 GIADRO C[C@H](CCCc1cccnc1)NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000457921719 822936243 /nfs/dbraw/zinc/93/62/43/822936243.db2.gz GOMBWQBMEXOOTN-HXUWFJFHSA-N 1 0 379.548 4.211 20 0 GIADRO COc1cc(F)cc(C[C@@H](C)[NH2+]C2CCC3(CC2)C(=O)Nc2ccccc23)c1 ZINC000569546521 822938005 /nfs/dbraw/zinc/93/80/05/822938005.db2.gz IFSSPIHNHIINLZ-ZYDMAUNPSA-N 1 0 382.479 4.188 20 0 GIADRO CCn1cc(NC(=O)N2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000569546912 822938320 /nfs/dbraw/zinc/93/83/20/822938320.db2.gz ASBNOXAZQJKGMY-NRFANRHFSA-N 1 0 395.551 4.058 20 0 GIADRO C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000055103009 822938535 /nfs/dbraw/zinc/93/85/35/822938535.db2.gz CDMGDJMEHCQQQO-AWEZNQCLSA-N 1 0 390.430 4.200 20 0 GIADRO COc1ccc(OC)c(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccccc2OC(C)C)c1 ZINC000055152067 822941235 /nfs/dbraw/zinc/94/12/35/822941235.db2.gz BIWRCBZPGNXPRQ-JKSUJKDBSA-N 1 0 386.492 4.169 20 0 GIADRO COc1ccccc1[C@@H]1CC[C@H](C)CN1C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000569574766 822941557 /nfs/dbraw/zinc/94/15/57/822941557.db2.gz OGJPJSBALGCIJN-KKSFZXQISA-N 1 0 379.504 4.346 20 0 GIADRO Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000569579410 822941850 /nfs/dbraw/zinc/94/18/50/822941850.db2.gz KRFDWSPUDLSDHG-RDJZCZTQSA-N 1 0 389.952 4.376 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1c(F)cccc1Br)c1ccccc1 ZINC000175355714 822943846 /nfs/dbraw/zinc/94/38/46/822943846.db2.gz OVHXJMUKIWKHIX-KRWDZBQOSA-N 1 0 393.300 4.401 20 0 GIADRO CCOc1cc(C(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc(Cl)c1O ZINC000186722057 822944416 /nfs/dbraw/zinc/94/44/16/822944416.db2.gz ZYBOIJITHYOYKX-MRXNPFEDSA-N 1 0 394.943 4.028 20 0 GIADRO COc1cc(C)c(NC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)cc1F ZINC000186727567 822945965 /nfs/dbraw/zinc/94/59/65/822945965.db2.gz OEGJHXYNQJKRRQ-UHFFFAOYSA-N 1 0 377.504 4.307 20 0 GIADRO COc1ccc(C[N@@H+]2CCCN(C(=O)CCc3ccccc3Cl)CC2)cc1 ZINC000055209541 822946086 /nfs/dbraw/zinc/94/60/86/822946086.db2.gz WQRCSHRPEBLZHQ-UHFFFAOYSA-N 1 0 386.923 4.016 20 0 GIADRO FC(F)(F)CN1CC[C@H](C[NH2+]Cc2cc3cc(Br)ccc3o2)C1 ZINC000569622094 822946274 /nfs/dbraw/zinc/94/62/74/822946274.db2.gz GXYMOOCFSZLVOI-LLVKDONJSA-N 1 0 391.231 4.169 20 0 GIADRO C[C@H](C[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1)c1nccs1 ZINC000186730717 822946417 /nfs/dbraw/zinc/94/64/17/822946417.db2.gz FHNBYFJMNMTMBR-CABCVRRESA-N 1 0 378.563 4.314 20 0 GIADRO C[C@@H](NC(=O)NC(C)(C)CCC[NH+](C)C)c1ccc(OCC(F)(F)F)cc1 ZINC000457974637 822946564 /nfs/dbraw/zinc/94/65/64/822946564.db2.gz CMDWZWFXLMGCNU-CQSZACIVSA-N 1 0 389.462 4.108 20 0 GIADRO FC(F)(F)COc1ccccc1C[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC000569629964 822947316 /nfs/dbraw/zinc/94/73/16/822947316.db2.gz OXRUNSITZHFGDT-UHFFFAOYSA-N 1 0 378.316 4.374 20 0 GIADRO CC(C)[C@@H](CNC(=O)NCc1ccccc1C[N@H+](C)C(C)C)c1cccnc1 ZINC000175365376 822947633 /nfs/dbraw/zinc/94/76/33/822947633.db2.gz RTXWMPVSCCIAKW-JOCHJYFZSA-N 1 0 382.552 4.161 20 0 GIADRO CCCCCN(C)c1ccc(F)cc1C[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000569637712 822948486 /nfs/dbraw/zinc/94/84/86/822948486.db2.gz HZYTWQSTEMCEFR-FQEVSTJZSA-N 1 0 378.532 4.270 20 0 GIADRO COc1ccc(CC[N@@H+](Cc2ccsc2)C[C@@H](O)C(C)(C)C)cc1OC ZINC000569646531 822949832 /nfs/dbraw/zinc/94/98/32/822949832.db2.gz ABRBJMYJILEYIO-HXUWFJFHSA-N 1 0 377.550 4.217 20 0 GIADRO COc1ccc(NC(=O)C[C@H](C)[NH2+]Cc2ccc(Cl)c(C)c2)c(OC)c1 ZINC000186757883 822950456 /nfs/dbraw/zinc/95/04/56/822950456.db2.gz SHXLFEPELABPOF-AWEZNQCLSA-N 1 0 376.884 4.173 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)Nc2cccc(OCc3cccc(F)c3)c2)CC[N@@H+]1C ZINC000175377824 822951579 /nfs/dbraw/zinc/95/15/79/822951579.db2.gz VJYUOBDYNUOUJF-OXQOHEQNSA-N 1 0 385.483 4.351 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cccc(OCc3cccc(F)c3)c2)CC[N@@H+]1C ZINC000175377857 822951602 /nfs/dbraw/zinc/95/16/02/822951602.db2.gz VJYUOBDYNUOUJF-UZLBHIALSA-N 1 0 385.483 4.351 20 0 GIADRO COc1cc(C)c(NC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)cc1F ZINC000186780050 822954118 /nfs/dbraw/zinc/95/41/18/822954118.db2.gz TXPMTPCWUGHMRO-UHFFFAOYSA-N 1 0 385.483 4.271 20 0 GIADRO Cc1ccc(-c2cnc(-c3ccccc3C(=O)N[C@@H]3C[NH2+]CC[C@H]3C)o2)cc1 ZINC000186783533 822954639 /nfs/dbraw/zinc/95/46/39/822954639.db2.gz BRVBEXBFDVXMCR-OXQOHEQNSA-N 1 0 375.472 4.045 20 0 GIADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)Nc1ccccc1CN1CCc2ccccc21 ZINC000175389732 822956095 /nfs/dbraw/zinc/95/60/95/822956095.db2.gz FWWVWOUMFMQBJI-IBGZPJMESA-N 1 0 392.547 4.055 20 0 GIADRO 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 822956984 /nfs/dbraw/zinc/95/69/84/822956984.db2.gz HVONICAWIYFKLQ-BZUAXINKSA-N 1 0 398.469 4.314 20 0 GIADRO c1csc(C[NH+]2CCN(c3nc(-c4ccncc4)nc4ccccc43)CC2)c1 ZINC000055397460 822957374 /nfs/dbraw/zinc/95/73/74/822957374.db2.gz QMEAJNMYSSKNRA-UHFFFAOYSA-N 1 0 387.512 4.076 20 0 GIADRO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000055400990 822957637 /nfs/dbraw/zinc/95/76/37/822957637.db2.gz OGVLKLKRTKCSKK-STQMWFEESA-N 1 0 393.890 4.293 20 0 GIADRO O=C(NC1CC[NH+](CC2CCCC2)CC1)N1CCC(OCC2CCCC2)CC1 ZINC000175394194 822957657 /nfs/dbraw/zinc/95/76/57/822957657.db2.gz LRCYQORGOOODHH-UHFFFAOYSA-N 1 0 391.600 4.022 20 0 GIADRO O=c1ccc2c([nH]1)CCC[C@H]2[NH2+]Cc1cc2ccccc2nc1N1CCCCC1 ZINC000569710691 822957803 /nfs/dbraw/zinc/95/78/03/822957803.db2.gz UQEVOILUQZIBQR-OAQYLSRUSA-N 1 0 388.515 4.493 20 0 GIADRO C[C@H](CC(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccc(F)cc1F ZINC000569712370 822958039 /nfs/dbraw/zinc/95/80/39/822958039.db2.gz AEQQQEBIOZCTEQ-PTSWNOGYSA-N 1 0 390.449 4.107 20 0 GIADRO Cc1csc([C@@H](C)CNC(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000186810105 822959105 /nfs/dbraw/zinc/95/91/05/822959105.db2.gz DRKOWJZCCIMRFG-WMZOPIPTSA-N 1 0 392.613 4.241 20 0 GIADRO CCOc1ccc(NC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1F ZINC000175401259 822959739 /nfs/dbraw/zinc/95/97/39/822959739.db2.gz PAQYOLPPVZCYNU-GOSISDBHSA-N 1 0 385.483 4.210 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCc1coc(-c2ccccc2)n1 ZINC000175400933 822959812 /nfs/dbraw/zinc/95/98/12/822959812.db2.gz POZJWMIGNDYNMM-UHFFFAOYSA-N 1 0 392.503 4.181 20 0 GIADRO C[C@H](NC(=O)[C@H](C)[N@@H+]1CCSC2(CCOCC2)C1)c1cccc2ccccc21 ZINC000186819105 822960813 /nfs/dbraw/zinc/96/08/13/822960813.db2.gz JRDRYHURKYVLKY-ROUUACIJSA-N 1 0 398.572 4.004 20 0 GIADRO COc1cccc(Oc2ccc(NC(=O)N(C)[C@H]3CC[N@H+](C)[C@@H](C)C3)cc2)c1 ZINC000175407603 822961394 /nfs/dbraw/zinc/96/13/94/822961394.db2.gz CXDCVVPCANPJMK-WMZOPIPTSA-N 1 0 383.492 4.434 20 0 GIADRO C[C@@H](Sc1ccnc2cc(Cl)ccc21)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000458173792 822965270 /nfs/dbraw/zinc/96/52/70/822965270.db2.gz BUJCPUGCBIDSLP-CABCVRRESA-N 1 0 391.968 4.217 20 0 GIADRO Cc1nc(CSc2ccccc2C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)cs1 ZINC000458177861 822965658 /nfs/dbraw/zinc/96/56/58/822965658.db2.gz VYSWDEVXAACOTN-INIZCTEOSA-N 1 0 389.590 4.206 20 0 GIADRO c1ccc(-c2noc([C@H](c3ccccc3)N3CCC([NH+]4CCCC4)CC3)n2)cc1 ZINC000175428271 822966120 /nfs/dbraw/zinc/96/61/20/822966120.db2.gz JHXBPTBXFMIWMU-QFIPXVFZSA-N 1 0 388.515 4.386 20 0 GIADRO Cc1nc2ccccn2c(=O)c1CC[N@H+](CCc1ccccc1F)C1CCCC1 ZINC000569770142 822966283 /nfs/dbraw/zinc/96/62/83/822966283.db2.gz QLYXUNKHEKXIIY-UHFFFAOYSA-N 1 0 393.506 4.172 20 0 GIADRO Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+]CCc1c(C)nc2ccccn2c1=O ZINC000569771375 822966599 /nfs/dbraw/zinc/96/65/99/822966599.db2.gz YVSJWAXHOCVEMU-GOSISDBHSA-N 1 0 389.421 4.137 20 0 GIADRO COc1ccc(C[N@@H+]2CCSC3(CCOCC3)C2)cc1SC(F)(F)F ZINC000186847937 822966991 /nfs/dbraw/zinc/96/69/91/822966991.db2.gz KAJBRXPYRMQROH-UHFFFAOYSA-N 1 0 393.496 4.405 20 0 GIADRO Cc1cc(NC(=O)c2cscc2Br)ccc1OCC[NH+](C)C ZINC000458193567 822967166 /nfs/dbraw/zinc/96/71/66/822967166.db2.gz CSHYEFXYRABERW-UHFFFAOYSA-N 1 0 383.311 4.012 20 0 GIADRO Cc1csc(C(=O)Nc2ccc(OCC[NH+](C)C)c(C)c2)c1Br ZINC000458196432 822967386 /nfs/dbraw/zinc/96/73/86/822967386.db2.gz HALGUPYJHJMYLR-UHFFFAOYSA-N 1 0 397.338 4.320 20 0 GIADRO Cc1onc(-c2ccccc2C)c1C(=O)Nc1ccc(OCC[NH+](C)C)c(C)c1 ZINC000458197182 822967651 /nfs/dbraw/zinc/96/76/51/822967651.db2.gz HMODSVKANYTTJL-UHFFFAOYSA-N 1 0 393.487 4.460 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(-n2cncn2)c(F)c1)c1ccc(Br)cc1 ZINC000055472259 822967829 /nfs/dbraw/zinc/96/78/29/822967829.db2.gz ILIHOJUIEOCLDS-LBPRGKRZSA-N 1 0 375.245 4.020 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)CCCc1nc2ccccc2s1 ZINC000458204437 822968477 /nfs/dbraw/zinc/96/84/77/822968477.db2.gz QGEXSWOALKLLLO-UHFFFAOYSA-N 1 0 387.574 4.271 20 0 GIADRO C[NH+](C)[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)nc2)CC1 ZINC000569784808 822968603 /nfs/dbraw/zinc/96/86/03/822968603.db2.gz SCBLSPHEBSHXMS-KRWDZBQOSA-N 1 0 388.899 4.475 20 0 GIADRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)C[C@@H]1CCC[C@H]1C ZINC000186860085 822969731 /nfs/dbraw/zinc/96/97/31/822969731.db2.gz HRHSIRPTVDDGEE-JRGCBEDISA-N 1 0 380.536 4.403 20 0 GIADRO C[C@H](Cc1cncc2ccccc21)C(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000458218817 822970220 /nfs/dbraw/zinc/97/02/20/822970220.db2.gz HPULXMGIFTUUER-QGZVFWFLSA-N 1 0 381.545 4.065 20 0 GIADRO C[C@@H](Cc1cncc2ccccc21)C(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000458218816 822970251 /nfs/dbraw/zinc/97/02/51/822970251.db2.gz HPULXMGIFTUUER-KRWDZBQOSA-N 1 0 381.545 4.065 20 0 GIADRO Cc1cc(NC(=O)[C@@H](C)Cc2cncc3ccccc32)ccc1OCC[NH+](C)C ZINC000458222820 822970700 /nfs/dbraw/zinc/97/07/00/822970700.db2.gz VTXFTRPZQYLNLH-SFHVURJKSA-N 1 0 391.515 4.301 20 0 GIADRO Cc1nc(-c2ccc(C(=O)N(CC[NH+](C)C)Cc3ccsc3)cc2)cs1 ZINC000458228972 822971365 /nfs/dbraw/zinc/97/13/65/822971365.db2.gz SXQSOMMOVNAUFT-UHFFFAOYSA-N 1 0 385.558 4.384 20 0 GIADRO CC(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000569815721 822972021 /nfs/dbraw/zinc/97/20/21/822972021.db2.gz CBYBNVPAXHYLBJ-UHFFFAOYSA-N 1 0 375.948 4.221 20 0 GIADRO COc1ccc([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CCC[C@@H](N3CCCC3=O)C2)cc1F ZINC000569825026 822973057 /nfs/dbraw/zinc/97/30/57/822973057.db2.gz GRXMRZCGYNBKHU-BNDYYXHWSA-N 1 0 388.527 4.384 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000175457385 822973937 /nfs/dbraw/zinc/97/39/37/822973937.db2.gz OWNIODGDLFLJMQ-UGKGYDQZSA-N 1 0 390.531 4.490 20 0 GIADRO C[C@H]1C[C@H](NC(=O)NCc2cccc3cccnc32)CC[N@@H+]1Cc1ccccc1 ZINC000175461817 822974725 /nfs/dbraw/zinc/97/47/25/822974725.db2.gz QDZSFAPPTXODSP-PGRDOPGGSA-N 1 0 388.515 4.087 20 0 GIADRO Cc1nccn1-c1ccc(CNC(=O)N2CCC[C@@H]2c2cccc(C)c2C)cn1 ZINC000175462712 822975000 /nfs/dbraw/zinc/97/50/00/822975000.db2.gz MAMBXPKWWFBQAY-OAQYLSRUSA-N 1 0 389.503 4.239 20 0 GIADRO Cc1nccn1-c1ccc(CNC(=O)N2CCC[C@H]2c2cccc(C)c2C)cn1 ZINC000175462696 822975076 /nfs/dbraw/zinc/97/50/76/822975076.db2.gz MAMBXPKWWFBQAY-NRFANRHFSA-N 1 0 389.503 4.239 20 0 GIADRO COc1cc(C[NH2+][C@@H]2CCC[C@@H](SC)C2)cc(OC)c1OCC(F)F ZINC000569847053 822975647 /nfs/dbraw/zinc/97/56/47/822975647.db2.gz VLGLJUOQZQABQO-ZIAGYGMSSA-N 1 0 375.481 4.112 20 0 GIADRO Cc1noc(C)c1CSc1ccccc1C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000055538329 822975813 /nfs/dbraw/zinc/97/58/13/822975813.db2.gz UUVMIJGVNLVCTR-OAHLLOKOSA-N 1 0 387.549 4.045 20 0 GIADRO Cc1cc(NC(=O)Cc2ccc(F)cc2Br)ccc1C[NH+](C)C ZINC000458268997 822975975 /nfs/dbraw/zinc/97/59/75/822975975.db2.gz RHIWTJOQUIWWRW-UHFFFAOYSA-N 1 0 379.273 4.139 20 0 GIADRO Cc1cnc(C(C)(C)NC(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)s1 ZINC000175467451 822976256 /nfs/dbraw/zinc/97/62/56/822976256.db2.gz JCKSAIYHLKKOJD-SFHVURJKSA-N 1 0 386.565 4.131 20 0 GIADRO C[C@@H]([NH2+]C[C@H](c1cccc(F)c1)N(C)C)c1ncc(Br)cc1F ZINC000186906547 822977810 /nfs/dbraw/zinc/97/78/10/822977810.db2.gz XFUXOXQXDFDSHC-BDJLRTHQSA-N 1 0 384.268 4.076 20 0 GIADRO O=C(N1CCC(C[NH+]2CCCC2)CC1)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000186909975 822978291 /nfs/dbraw/zinc/97/82/91/822978291.db2.gz WGBAKFMUYPXDAF-UHFFFAOYSA-N 1 0 398.444 4.211 20 0 GIADRO Cc1cc(NC(=O)c2c[nH]cc2-c2ccc3c(c2)OCCO3)ccc1C[NH+](C)C ZINC000458289387 822978998 /nfs/dbraw/zinc/97/89/98/822978998.db2.gz QSYVMGIYJXTHQT-UHFFFAOYSA-N 1 0 391.471 4.075 20 0 GIADRO COc1ccc(SCCC(=O)Nc2ccc(C[NH+](C)C)c(C)c2)cc1OC ZINC000458289532 822979031 /nfs/dbraw/zinc/97/90/31/822979031.db2.gz RFHLJOXDNKWSRF-UHFFFAOYSA-N 1 0 388.533 4.195 20 0 GIADRO CC[C@@H](Oc1ccccc1F)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000175480524 822979050 /nfs/dbraw/zinc/97/90/50/822979050.db2.gz VVRMFKHOFVJPOC-QFBILLFUSA-N 1 0 390.524 4.073 20 0 GIADRO C[NH+](C)CCn1nccc1NC(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000569879863 822979946 /nfs/dbraw/zinc/97/99/46/822979946.db2.gz JQBDCIYDGBCDMD-UHFFFAOYSA-N 1 0 383.304 4.219 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)[C@@H](OC(C)(C)C)c2ccccc2)cc1F ZINC000458301286 822980553 /nfs/dbraw/zinc/98/05/53/822980553.db2.gz VVYNIHKUUUVJCR-FQEVSTJZSA-N 1 0 388.483 4.261 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)c2ccc(F)cc2C(F)(F)F)cc1F ZINC000458305444 822980977 /nfs/dbraw/zinc/98/09/77/822980977.db2.gz ZMTABZUXOWBXRN-UHFFFAOYSA-N 1 0 388.336 4.176 20 0 GIADRO CC[C@H](C)[C@@H]([NH2+]CCc1ccncc1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000569891038 822981145 /nfs/dbraw/zinc/98/11/45/822981145.db2.gz XXOHODAQOVWVQF-GBXCKJPGSA-N 1 0 393.575 4.110 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(C)cc1OC ZINC000175488741 822981567 /nfs/dbraw/zinc/98/15/67/822981567.db2.gz KOWKLIAMGHKJLD-FQEVSTJZSA-N 1 0 381.520 4.380 20 0 GIADRO CCN(C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H](C)Cc1ccsc1 ZINC000186934813 822983183 /nfs/dbraw/zinc/98/31/83/822983183.db2.gz LYXUZKZPMZSYRL-UGKGYDQZSA-N 1 0 399.604 4.275 20 0 GIADRO COc1ccc(Br)c(C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)c1 ZINC000458329515 822983726 /nfs/dbraw/zinc/98/37/26/822983726.db2.gz XSTYLJYJAQWJKC-UHFFFAOYSA-N 1 0 377.282 4.080 20 0 GIADRO COc1ccc(C[C@@H](C)C[NH2+][C@H](c2nccn2C)c2cccc(F)c2)cc1F ZINC000186944420 822984218 /nfs/dbraw/zinc/98/42/18/822984218.db2.gz XHFVICQJDIZQKE-VFNWGFHPSA-N 1 0 385.458 4.265 20 0 GIADRO Cc1cc2c(cc1C)[C@@H]([NH2+]Cc1ccccc1CN1CCOCC1)CCS2 ZINC000186944780 822984466 /nfs/dbraw/zinc/98/44/66/822984466.db2.gz DCVUAGABTGIXQQ-QFIPXVFZSA-N 1 0 382.573 4.462 20 0 GIADRO COc1ccccc1-c1ccc([C@H](C)NC(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000569911550 822984768 /nfs/dbraw/zinc/98/47/68/822984768.db2.gz QTXWMYVELLEMHF-ZWOKBUDYSA-N 1 0 381.520 4.111 20 0 GIADRO C[C@@H](NCCC[N@H+](C)Cc1ccccc1)c1ncc(Br)cc1F ZINC000186949230 822985129 /nfs/dbraw/zinc/98/51/29/822985129.db2.gz BKTVAABTARYZKW-CQSZACIVSA-N 1 0 380.305 4.156 20 0 GIADRO CN(CCc1ccc(F)cc1)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000175517722 822989108 /nfs/dbraw/zinc/98/91/08/822989108.db2.gz LTONWAKRGAIDDZ-YLJYHZDGSA-N 1 0 389.540 4.154 20 0 GIADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CC[C@H](CSc3ccccc3)C2)C1 ZINC000175528402 822991434 /nfs/dbraw/zinc/99/14/34/822991434.db2.gz OOMJUINSDKFKFV-UXHICEINSA-N 1 0 389.609 4.322 20 0 GIADRO COC[C@H]([NH2+]Cc1ccc(C)nc1-n1cc(Cl)cn1)c1cccc(Cl)c1 ZINC000569973848 822991848 /nfs/dbraw/zinc/99/18/48/822991848.db2.gz OTJLEWGQAGVFCC-SFHVURJKSA-N 1 0 391.302 4.360 20 0 GIADRO COc1cccc([C@H](CNC(=O)Nc2cccc(C(C)(F)F)c2)[NH+](C)C)c1 ZINC000186982005 822991977 /nfs/dbraw/zinc/99/19/77/822991977.db2.gz YLDFXFUXQKYOER-SFHVURJKSA-N 1 0 377.435 4.231 20 0 GIADRO O=C(Cc1ccsc1)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000175533478 822992374 /nfs/dbraw/zinc/99/23/74/822992374.db2.gz FAYDHDASBGHXJX-SFHVURJKSA-N 1 0 396.478 4.204 20 0 GIADRO CC(F)(F)c1cccc(NC(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000186984273 822992448 /nfs/dbraw/zinc/99/24/48/822992448.db2.gz DPZMSSPWSUHQFL-UHFFFAOYSA-N 1 0 395.494 4.155 20 0 GIADRO O=C(c1cccc(F)c1)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000175534613 822992637 /nfs/dbraw/zinc/99/26/37/822992637.db2.gz JDDPQZJHWBOVSN-QGZVFWFLSA-N 1 0 394.412 4.352 20 0 GIADRO C[C@@H]([NH2+]C[C@@H]1CCN(c2ccccc2)C1)c1ncc(Br)cc1F ZINC000186994003 822993751 /nfs/dbraw/zinc/99/37/51/822993751.db2.gz IYBYTNBSSUKDOF-KGLIPLIRSA-N 1 0 378.289 4.160 20 0 GIADRO CSc1ccc(C[NH2+][C@@H]2CCCN([C@@H](C)c3ccccc3F)C2=O)s1 ZINC000569990825 822993974 /nfs/dbraw/zinc/99/39/74/822993974.db2.gz GKAVDQZVOJUBBZ-SUMWQHHRSA-N 1 0 378.538 4.451 20 0 GIADRO CSc1ccc(C[NH2+][C@H]2CCCN([C@H](C)c3ccccc3F)C2=O)s1 ZINC000569990823 822994022 /nfs/dbraw/zinc/99/40/22/822994022.db2.gz GKAVDQZVOJUBBZ-DYVFJYSZSA-N 1 0 378.538 4.451 20 0 GIADRO COC1CCC(N(C)C(=O)NCc2ccccc2C[NH+]2CCCCCC2)CC1 ZINC000570001773 822995063 /nfs/dbraw/zinc/99/50/63/822995063.db2.gz IRYWCAHZXPTPLC-UHFFFAOYSA-N 1 0 387.568 4.162 20 0 GIADRO Cc1nc(C)c([C@H](C)[N@H+](C)C[C@H](O)c2ccc(F)c(Br)c2)s1 ZINC000187004273 822995782 /nfs/dbraw/zinc/99/57/82/822995782.db2.gz NQLLSNRRFCLREU-BONVTDFDSA-N 1 0 387.318 4.388 20 0 GIADRO O[C@@H](C[NH+]1CCC([C@@H](O)c2ccc(F)cc2)CC1)c1ccc(F)cc1Cl ZINC000187007834 822996510 /nfs/dbraw/zinc/99/65/10/822996510.db2.gz SYHYBIYSFXYMQQ-PMACEKPBSA-N 1 0 381.850 4.097 20 0 GIADRO CSC1(C[N@H+](Cc2ccco2)Cc2ccc(C(=O)NC3CC3)cc2)CCC1 ZINC000570015496 822997221 /nfs/dbraw/zinc/99/72/21/822997221.db2.gz UBAVBHSINBITRM-UHFFFAOYSA-N 1 0 384.545 4.460 20 0 GIADRO CCOCCC[N@@H+]1CC[C@H](NCc2csc(-c3ccccc3F)n2)[C@H](C)C1 ZINC000187010925 822997303 /nfs/dbraw/zinc/99/73/03/822997303.db2.gz ZMQIPQAOCNPAAY-UZLBHIALSA-N 1 0 391.556 4.176 20 0 GIADRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)CCc1c2ccccc2[nH]c1-c1ccc(F)cc1 ZINC000570021981 822998155 /nfs/dbraw/zinc/99/81/55/822998155.db2.gz FSTDMDIDZVENDH-YJBOKZPZSA-N 1 0 379.479 4.245 20 0 GIADRO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2cc3ccccc3n(C)c2=O)cc1Cl ZINC000570024188 822998371 /nfs/dbraw/zinc/99/83/71/822998371.db2.gz ICZRZJQZCBMVFK-OAHLLOKOSA-N 1 0 397.906 4.007 20 0 GIADRO CCOCCC[N@@H+]1CC[C@@H](NCc2nc3cc(C(F)(F)F)ccc3o2)[C@H](C)C1 ZINC000187017781 822998381 /nfs/dbraw/zinc/99/83/81/822998381.db2.gz RZJJFQXTIIQLLR-GDBMZVCRSA-N 1 0 399.457 4.073 20 0 GIADRO Cc1cc2c(cc1C)[C@@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)CCS2 ZINC000187025132 822999837 /nfs/dbraw/zinc/99/98/37/822999837.db2.gz QQTJAVDPERVZTD-FQEVSTJZSA-N 1 0 384.545 4.097 20 0 GIADRO Cc1cccc(COc2cccc(C(=O)N3CCC[C@H]([C@H]4CC[NH2+]C4)C3)c2)c1 ZINC000570041253 823000008 /nfs/dbraw/zinc/00/00/08/823000008.db2.gz PSCMEQWEPXPBOE-VXKWHMMOSA-N 1 0 378.516 4.036 20 0 GIADRO Cc1cc2c(cc1C)[C@H]([NH2+]CCCS(=O)(=O)Cc1ccccc1)CCS2 ZINC000187036485 823001797 /nfs/dbraw/zinc/00/17/97/823001797.db2.gz CWTGEEMIQLSVEM-HXUWFJFHSA-N 1 0 389.586 4.435 20 0 GIADRO COc1ccc([C@@H](NC(=O)N(C)CC2([NH+](C)C)CCC2)c2ccc(F)cc2)cc1 ZINC000187036770 823002069 /nfs/dbraw/zinc/00/20/69/823002069.db2.gz HBDAHVHHJNJUQY-NRFANRHFSA-N 1 0 399.510 4.049 20 0 GIADRO C[C@@H](c1ccccc1Cl)N(C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2)C1CC1 ZINC000570064785 823002180 /nfs/dbraw/zinc/00/21/80/823002180.db2.gz UZLTUOHHHMNOJP-DZGCQCFKSA-N 1 0 384.911 4.309 20 0 GIADRO Cc1csc([C@H](NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C2CC2)n1 ZINC000175585424 823002375 /nfs/dbraw/zinc/00/23/75/823002375.db2.gz XSTSIFVKTNSFDF-LSTHTHJFSA-N 1 0 398.576 4.255 20 0 GIADRO OC[C@@H](C[NH2+][C@H]1CCCOc2ccccc21)Cc1ccccc1C(F)(F)F ZINC000570066767 823002659 /nfs/dbraw/zinc/00/26/59/823002659.db2.gz AJKIKNYXOKRICV-BEFAXECRSA-N 1 0 379.422 4.360 20 0 GIADRO Cc1ccc([C@@H]([NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)C2CCC2)cc1 ZINC000187047031 823003488 /nfs/dbraw/zinc/00/34/88/823003488.db2.gz XZCUKVLTJMJOQB-JTSKRJEESA-N 1 0 386.561 4.437 20 0 GIADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H]2CCSc3cc(C)c(C)cc32)cc1 ZINC000187053866 823004365 /nfs/dbraw/zinc/00/43/65/823004365.db2.gz KNPVUEMOLIIDIX-DNVCBOLYSA-N 1 0 390.574 4.099 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2c[nH]nc2-c2ccsc2)CC1 ZINC000187055316 823004498 /nfs/dbraw/zinc/00/44/98/823004498.db2.gz LLHDLEMBGOWLIH-HNNXBMFYSA-N 1 0 380.517 4.094 20 0 GIADRO CCc1nc(C)c([C@H](C)[N@H+](C)C[C@@H](O)CO[C@@H]2CCCc3ccccc32)s1 ZINC000570094513 823005232 /nfs/dbraw/zinc/00/52/32/823005232.db2.gz CIKUJXCEZALOQN-ILZDJORESA-N 1 0 388.577 4.462 20 0 GIADRO C[C@@H]([NH2+]CCCc1nc2ccccc2[nH]1)c1ncc(Br)cc1F ZINC000187071845 823006623 /nfs/dbraw/zinc/00/66/23/823006623.db2.gz KYNWYIJWANKAER-LLVKDONJSA-N 1 0 377.261 4.143 20 0 GIADRO CC(C)[NH+]1CCC(NC(=O)N(Cc2cc(F)ccc2F)C2CCCC2)CC1 ZINC000175620437 823007950 /nfs/dbraw/zinc/00/79/50/823007950.db2.gz NVAYKAHAEBEMII-UHFFFAOYSA-N 1 0 379.495 4.292 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH2+]Cc1ccccc1Cn1cccn1 ZINC000187105750 823011312 /nfs/dbraw/zinc/01/13/12/823011312.db2.gz JETARCGHCNRABG-UHFFFAOYSA-N 1 0 384.483 4.292 20 0 GIADRO CC[NH+](CC)[C@H](CN[C@H](C)c1ncc(Br)cc1F)c1ccco1 ZINC000187110464 823011868 /nfs/dbraw/zinc/01/18/68/823011868.db2.gz KKEZORWIFXGHCF-IUODEOHRSA-N 1 0 384.293 4.310 20 0 GIADRO O=c1ccccn1Cc1ccc(C[NH2+]Cc2cscc2C(F)(F)F)cc1 ZINC000570169524 823011914 /nfs/dbraw/zinc/01/19/14/823011914.db2.gz YIBBZUDILFYHLU-UHFFFAOYSA-N 1 0 378.419 4.267 20 0 GIADRO CC1CC[NH+](C[C@H]2CCCN(c3nnc(Cc4ccsc4)n3C3CC3)C2)CC1 ZINC000570170492 823012109 /nfs/dbraw/zinc/01/21/09/823012109.db2.gz RRMCKTSZFPVGLD-LJQANCHMSA-N 1 0 399.608 4.214 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)c1cc(C(=O)OC)cs1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000570171268 823012125 /nfs/dbraw/zinc/01/21/25/823012125.db2.gz URUQSHKUJWKWFF-ZAAXVRCTSA-N 1 0 398.532 4.153 20 0 GIADRO Cc1ccccc1-n1cc(CNCc2ccc(C[NH+]3CCCCCC3)cc2)nn1 ZINC000570195826 823014224 /nfs/dbraw/zinc/01/42/24/823014224.db2.gz XDPWQWKYAGZCSU-UHFFFAOYSA-N 1 0 389.547 4.242 20 0 GIADRO O[C@H](C[NH2+][C@H]1CCO[C@@H](c2ccc(F)cc2)C1)Cc1ccc2ccccc2c1 ZINC000570202806 823014963 /nfs/dbraw/zinc/01/49/63/823014963.db2.gz RTLICPPOQAWJII-KMDXXIMOSA-N 1 0 379.475 4.392 20 0 GIADRO Cc1cc(=O)[nH]c2cc(C(=O)Nc3cccc4c3C[N@H+](CC(C)C)C4)ccc12 ZINC000570204209 823014990 /nfs/dbraw/zinc/01/49/90/823014990.db2.gz MYSRQDXRZIXSIT-UHFFFAOYSA-N 1 0 375.472 4.473 20 0 GIADRO Cc1cc(Br)cc([C@@H](C)[NH2+]C2CCN(CC(F)(F)F)CC2)c1O ZINC000187130566 823015206 /nfs/dbraw/zinc/01/52/06/823015206.db2.gz OSRXXKVSSZZGTH-LLVKDONJSA-N 1 0 395.263 4.140 20 0 GIADRO COc1cc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)ccc1F ZINC000187133110 823015561 /nfs/dbraw/zinc/01/55/61/823015561.db2.gz DERWJEUAGRJFIS-YQQQUEKLSA-N 1 0 383.467 4.151 20 0 GIADRO Cc1ccc(-c2nc(CC(=O)N[C@@H](CCC[NH3+])c3ccccc3)cs2)cc1 ZINC000570211453 823015899 /nfs/dbraw/zinc/01/58/99/823015899.db2.gz DVOFVPYVINVPKY-FQEVSTJZSA-N 1 0 379.529 4.257 20 0 GIADRO C[C@@H]([NH2+]Cc1cnc(C(C)(C)C)nc1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000570220358 823016415 /nfs/dbraw/zinc/01/64/15/823016415.db2.gz UJDOWGUTSCSTSR-MRXNPFEDSA-N 1 0 389.503 4.272 20 0 GIADRO C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+][C@@H](C)C1CCSCC1 ZINC000187138885 823016549 /nfs/dbraw/zinc/01/65/49/823016549.db2.gz AUKBNQOKVDQNQZ-SJORKVTESA-N 1 0 375.582 4.125 20 0 GIADRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)C1 ZINC000175671477 823017124 /nfs/dbraw/zinc/01/71/24/823017124.db2.gz VJFNJNRTLPJULL-IRXDYDNUSA-N 1 0 396.535 4.102 20 0 GIADRO COCc1ccccc1/C=C(\C)C[N@H+](Cc1ccc(C(N)=O)cc1F)C1CC1 ZINC000570233243 823017367 /nfs/dbraw/zinc/01/73/67/823017367.db2.gz RJMMPHQKSZYPRR-LFIBNONCSA-N 1 0 382.479 4.139 20 0 GIADRO COC[C@@H]([NH2+][C@@H](C)c1cc(OC)c(OC)c(OC)c1)c1cccc(Cl)c1 ZINC000570241486 823018123 /nfs/dbraw/zinc/01/81/23/823018123.db2.gz IBEMRNCNRBKNDB-SUMWQHHRSA-N 1 0 379.884 4.404 20 0 GIADRO C[C@@H](C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccc(Cl)s1 ZINC000175677182 823018187 /nfs/dbraw/zinc/01/81/87/823018187.db2.gz SQCBSCUXSRUSRQ-CYBMUJFWSA-N 1 0 380.916 4.425 20 0 GIADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CCCCN(C)c1ccccc1 ZINC000187156838 823018760 /nfs/dbraw/zinc/01/87/60/823018760.db2.gz DQOLAPCIPSPJBF-UHFFFAOYSA-N 1 0 394.968 4.140 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc2c(c1)COC(C)(C)O2)c1ccc(N2CCOC2=O)cc1 ZINC000187159288 823019055 /nfs/dbraw/zinc/01/90/55/823019055.db2.gz YEHYCGUEPMGKNP-OAHLLOKOSA-N 1 0 382.460 4.139 20 0 GIADRO COc1cc(-c2noc([C@]3(F)CC[N@@H+](C(C)(C)C)C3)n2)ccc1OC(F)F ZINC000570250467 823019426 /nfs/dbraw/zinc/01/94/26/823019426.db2.gz FSSYVEGGTWUUIO-SFHVURJKSA-N 1 0 385.386 4.016 20 0 GIADRO O[C@@H](C[NH2+]Cc1nc(C2CC2)cs1)Cn1c2ccccc2c2ccccc21 ZINC000570272754 823021673 /nfs/dbraw/zinc/02/16/73/823021673.db2.gz JEJHPMZOQWEIHA-INIZCTEOSA-N 1 0 377.513 4.279 20 0 GIADRO COC(=O)c1ccc(COc2ccc(C[NH2+][C@@H]3CCC[C@H](F)C3)cc2OC)o1 ZINC000570281132 823022059 /nfs/dbraw/zinc/02/20/59/823022059.db2.gz XEEYUVYWWRADHR-JKSUJKDBSA-N 1 0 391.439 4.024 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)[C@@H]2SCCc3ccccc32)CC1 ZINC000175699736 823023029 /nfs/dbraw/zinc/02/30/29/823023029.db2.gz VXWLXQPLKWRBLD-JOCHJYFZSA-N 1 0 380.557 4.140 20 0 GIADRO COc1cc(NC(=O)Nc2cccc(C[NH+](C)C)c2)ccc1Br ZINC000175701375 823023316 /nfs/dbraw/zinc/02/33/16/823023316.db2.gz KQLJCJBYXFBSTM-UHFFFAOYSA-N 1 0 378.270 4.163 20 0 GIADRO COc1ccc([C@H](C)[NH2+]Cc2ccc(C[S@](C)=O)cc2)c(Br)c1 ZINC000570302242 823023862 /nfs/dbraw/zinc/02/38/62/823023862.db2.gz XHKGHIHVRFEETC-NPMABZOXSA-N 1 0 396.350 4.187 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH2+]CCc1ccc(NC(C)=O)cc1 ZINC000187201510 823024266 /nfs/dbraw/zinc/02/42/66/823024266.db2.gz FVHNHHGVDGLVKL-UHFFFAOYSA-N 1 0 375.472 4.048 20 0 GIADRO CC(C)n1nccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000175706711 823024524 /nfs/dbraw/zinc/02/45/24/823024524.db2.gz HEBFUEFGRDXGKA-OLZOCXBDSA-N 1 0 384.402 4.040 20 0 GIADRO Cc1ccc(C[NH2+]C2(c3ccc(Br)cc3)CCOCC2)c(C)n1 ZINC000187208854 823025070 /nfs/dbraw/zinc/02/50/70/823025070.db2.gz HNAZTVKUPMKUNU-UHFFFAOYSA-N 1 0 375.310 4.256 20 0 GIADRO C[N@H+](CC/C=C/c1ccc(Br)cc1)CC(=O)NCc1ccccc1 ZINC000570319895 823025515 /nfs/dbraw/zinc/02/55/15/823025515.db2.gz NKMROWDRFXRAHY-FNORWQNLSA-N 1 0 387.321 4.101 20 0 GIADRO COc1cc(-c2noc(/C(C)=C\c3ccc(F)cc3)n2)ccc1OCC[NH+](C)C ZINC000570326346 823026123 /nfs/dbraw/zinc/02/61/23/823026123.db2.gz QZFRYBVUPHRTOY-SQFISAMPSA-N 1 0 397.450 4.385 20 0 GIADRO CC(C)n1ncc2c1nc(-c1cccs1)cc2C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000570330860 823026461 /nfs/dbraw/zinc/02/64/61/823026461.db2.gz PEEPUFAEGKTDIS-HNNXBMFYSA-N 1 0 397.548 4.003 20 0 GIADRO CN1C(=O)CCc2cc(C[NH2+]CC3(c4ccccc4Cl)CCOCC3)ccc21 ZINC000187220899 823026770 /nfs/dbraw/zinc/02/67/70/823026770.db2.gz JDWWLDRXALRDST-UHFFFAOYSA-N 1 0 398.934 4.087 20 0 GIADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Nc1ccccc1Oc1ccccc1 ZINC000570340987 823027039 /nfs/dbraw/zinc/02/70/39/823027039.db2.gz IOXIIJQQJMHTMF-GOSISDBHSA-N 1 0 395.503 4.196 20 0 GIADRO C[C@H](NC(=O)CCc1ccc(OC(F)F)cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000187226877 823027618 /nfs/dbraw/zinc/02/76/18/823027618.db2.gz JGLRCVBZFZRZPZ-MGPUTAFESA-N 1 0 376.447 4.028 20 0 GIADRO CC[NH+](CC)[C@@H](C(=O)Nc1cc(OC)c(Cl)cc1OC)c1ccccc1 ZINC000175728975 823027895 /nfs/dbraw/zinc/02/78/95/823027895.db2.gz SFBAIZAWBRNWIU-LJQANCHMSA-N 1 0 376.884 4.379 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)N(C[C@@H]2CCCO2)C2CCCC2)CC1 ZINC000175729992 823028160 /nfs/dbraw/zinc/02/81/60/823028160.db2.gz KWXBRJQIJMDQEL-QHCPKHFHSA-N 1 0 399.579 4.093 20 0 GIADRO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](CCO)c2ccccc2)c1O ZINC000187235055 823028589 /nfs/dbraw/zinc/02/85/89/823028589.db2.gz NXKYTWRGWMEHOH-ZBFHGGJFSA-N 1 0 378.310 4.280 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H](C)c1ccc(NC(N)=O)cc1 ZINC000187238747 823029057 /nfs/dbraw/zinc/02/90/57/823029057.db2.gz YZLJFFBMBHCDLH-HNNXBMFYSA-N 1 0 376.460 4.099 20 0 GIADRO CN1c2ccc(C[NH2+]CCCO[C@@H]3CCCc4ccccc43)cc2CCC1=O ZINC000187240091 823029202 /nfs/dbraw/zinc/02/92/02/823029202.db2.gz QSFURWQWPGNRNM-HSZRJFAPSA-N 1 0 378.516 4.170 20 0 GIADRO Cc1nc(-c2cccc(-c3nc([C@@H]4C[N@@H+]5CCC[C@@]5(C)CO4)no3)c2)cs1 ZINC000570365873 823029674 /nfs/dbraw/zinc/02/96/74/823029674.db2.gz TWBARTGHWWHWJG-PXNSSMCTSA-N 1 0 382.489 4.094 20 0 GIADRO Cc1ccc(-c2noc([C@H](C)[N@@H+]3CCCN4c5ccccc5C[C@@H]4C3)n2)cc1F ZINC000570367450 823029763 /nfs/dbraw/zinc/02/97/63/823029763.db2.gz SKCHPDKZRHPSGW-QFBILLFUSA-N 1 0 392.478 4.382 20 0 GIADRO COc1cccc(CC[NH2+]C2CCN(Cc3ccccc3Cl)CC2)c1OC ZINC000570375942 823031052 /nfs/dbraw/zinc/03/10/52/823031052.db2.gz MEHVCLWAUYORFQ-UHFFFAOYSA-N 1 0 388.939 4.154 20 0 GIADRO C[C@@H]([NH2+]C1CCN(Cc2ccc(F)cc2)CC1)c1ccc(Br)cn1 ZINC000570378074 823031542 /nfs/dbraw/zinc/03/15/42/823031542.db2.gz UYVDBIZEXUMQLY-CQSZACIVSA-N 1 0 392.316 4.298 20 0 GIADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)[C@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000458374488 823033839 /nfs/dbraw/zinc/03/38/39/823033839.db2.gz JMNVGXFXUPUKGP-QUCCMNQESA-N 1 0 397.567 4.041 20 0 GIADRO Cc1cccc([C@@H](NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c2ccccn2)c1 ZINC000570408777 823034102 /nfs/dbraw/zinc/03/41/02/823034102.db2.gz JGUYUHMVMOBBBQ-ISKFKSNPSA-N 1 0 385.511 4.118 20 0 GIADRO C[C@H](CC[NH2+][C@H](C)C1CCS(=O)(=O)CC1)c1cccc(C(F)(F)F)c1 ZINC000187271091 823034227 /nfs/dbraw/zinc/03/42/27/823034227.db2.gz FOHYNWCBZQREMM-ZIAGYGMSSA-N 1 0 377.472 4.002 20 0 GIADRO C[C@@H](c1ccco1)N(C(=O)NC1CC[NH+](CCc2ccccc2)CC1)C1CC1 ZINC000175764601 823034573 /nfs/dbraw/zinc/03/45/73/823034573.db2.gz WJPUHLLHRBVUGA-SFHVURJKSA-N 1 0 381.520 4.222 20 0 GIADRO C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CCC[C@@]2(CCSC2)C1)c1ccccc1 ZINC000458381069 823034606 /nfs/dbraw/zinc/03/46/06/823034606.db2.gz VKQHEPWYLMKWED-DYESRHJHSA-N 1 0 375.582 4.045 20 0 GIADRO COCCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2c2cccc(Cl)c2)cc1 ZINC000570414034 823034727 /nfs/dbraw/zinc/03/47/27/823034727.db2.gz MNKDNLHJXYSJEY-IRLDBZIGSA-N 1 0 389.923 4.106 20 0 GIADRO CC(C)Cn1c(CC2CCCC2)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000570423427 823036032 /nfs/dbraw/zinc/03/60/32/823036032.db2.gz NWMZQVJOJPGYHI-PZJWPPBQSA-N 1 0 385.600 4.120 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C ZINC000187285701 823036802 /nfs/dbraw/zinc/03/68/02/823036802.db2.gz QYBMLFNRKRUYTB-UHFFFAOYSA-N 1 0 385.508 4.150 20 0 GIADRO COCCOCc1ccc(C[NH2+][C@H]2CCCN(c3ccccc3Cl)C2)cc1 ZINC000570429245 823037035 /nfs/dbraw/zinc/03/70/35/823037035.db2.gz KPJQPZFUWNMHJL-FQEVSTJZSA-N 1 0 388.939 4.262 20 0 GIADRO 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 823037110 /nfs/dbraw/zinc/03/71/10/823037110.db2.gz STTPRFPNBBBVIB-DEICHXMPSA-N 1 0 383.458 4.138 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)c1ccccc1SC)[NH+]1CCCCC1 ZINC000055752001 823037145 /nfs/dbraw/zinc/03/71/45/823037145.db2.gz KEZCPYASOULKSK-IBGZPJMESA-N 1 0 384.545 4.374 20 0 GIADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccccc1SCc1cscn1 ZINC000570432985 823037429 /nfs/dbraw/zinc/03/74/29/823037429.db2.gz OXWRHQWEERTBLF-NVXWUHKLSA-N 1 0 387.574 4.134 20 0 GIADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccccc1SCc1cscn1 ZINC000570432984 823037539 /nfs/dbraw/zinc/03/75/39/823037539.db2.gz OXWRHQWEERTBLF-DOTOQJQBSA-N 1 0 387.574 4.134 20 0 GIADRO C[C@H](C(=O)N1CCC[C@@H](c2ccncc2)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000570434683 823037802 /nfs/dbraw/zinc/03/78/02/823037802.db2.gz GCIZIYCOHYZFBW-HYBUGGRVSA-N 1 0 391.559 4.131 20 0 GIADRO C[C@H]([NH2+]C1CCN(c2cccs2)CC1)c1ncc(Br)cc1F ZINC000187295342 823038407 /nfs/dbraw/zinc/03/84/07/823038407.db2.gz UNFAXVLKCZGOSJ-NSHDSACASA-N 1 0 384.318 4.364 20 0 GIADRO Cc1ccc(C[C@@H](NC(=O)NC(C)(C)CCC[NH+](C)C)c2ccccn2)cc1 ZINC000458432023 823039544 /nfs/dbraw/zinc/03/95/44/823039544.db2.gz YQQOTMQCGHTHNW-OAQYLSRUSA-N 1 0 382.552 4.093 20 0 GIADRO CSCC1CCC(NC(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1 ZINC000458431397 823039570 /nfs/dbraw/zinc/03/95/70/823039570.db2.gz OIMICWCAGQSPCP-OLECLDRESA-N 1 0 395.638 4.352 20 0 GIADRO C[NH2+]C[C@@H]1CCN(C(=O)c2c(F)cccc2Sc2ccc(Cl)cc2)C1 ZINC000570451336 823039959 /nfs/dbraw/zinc/03/99/59/823039959.db2.gz LCAKCVUNRGSQFI-ZDUSSCGKSA-N 1 0 378.900 4.312 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)N2CC(C)(C)[C@H]2c2ccncc2)[C@H]1c1cccs1 ZINC000458436834 823040325 /nfs/dbraw/zinc/04/03/25/823040325.db2.gz RNNKXLOYFGGVKN-YZGWKJHDSA-N 1 0 398.576 4.319 20 0 GIADRO Cc1cccc([C@@H](C)CNC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000458442747 823040880 /nfs/dbraw/zinc/04/08/80/823040880.db2.gz ZESLVQVPPCTUHG-INIZCTEOSA-N 1 0 385.474 4.157 20 0 GIADRO CN(Cc1c(F)cccc1F)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000458446021 823041314 /nfs/dbraw/zinc/04/13/14/823041314.db2.gz ZGOSRZHZPDDMCL-KUHUBIRLSA-N 1 0 393.503 4.251 20 0 GIADRO CC[C@H](C[NH2+]Cc1nccn1CC(F)(F)F)Oc1ccccc1C(F)(F)F ZINC000175804468 823044305 /nfs/dbraw/zinc/04/43/05/823044305.db2.gz JQBWFUMUFNGTCJ-GFCCVEGCSA-N 1 0 395.347 4.411 20 0 GIADRO CC[NH+](CC)CCCCNC(=O)Nc1ccc(Br)cc1Cl ZINC000175805964 823044512 /nfs/dbraw/zinc/04/45/12/823044512.db2.gz GZPGAPQAVLTQSD-UHFFFAOYSA-N 1 0 376.726 4.346 20 0 GIADRO CCOc1ccc(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)cc1OCC ZINC000175806811 823044790 /nfs/dbraw/zinc/04/47/90/823044790.db2.gz IVUTTXLWRCLWDI-HXUWFJFHSA-N 1 0 377.525 4.034 20 0 GIADRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc(OC)ccc1OC)c1ccc(Cl)cc1 ZINC000123796962 823541733 /nfs/dbraw/zinc/54/17/33/823541733.db2.gz SKEPOWIOENDVPA-SUMWQHHRSA-N 1 0 376.884 4.425 20 0 GIADRO CC1CCC([N@H+](Cc2ccc3c(c2)OCO3)Cc2cccc(C(N)=O)c2)CC1 ZINC000060562361 823542490 /nfs/dbraw/zinc/54/24/90/823542490.db2.gz DCFSLPRQDCBNRU-UHFFFAOYSA-N 1 0 380.488 4.095 20 0 GIADRO CC(C)Oc1nn(CN2CCC(C[NH+]3CCCCCC3)CC2)c(=S)s1 ZINC000060564627 823542819 /nfs/dbraw/zinc/54/28/19/823542819.db2.gz PHQBBMZJUJXBMP-UHFFFAOYSA-N 1 0 384.615 4.007 20 0 GIADRO Cc1cc([C@H](C)[NH2+]Cc2ccc(S(=O)(=O)N3CCCC3)cc2)c(C)s1 ZINC000177895190 823543024 /nfs/dbraw/zinc/54/30/24/823543024.db2.gz SDJBQVDDQBOSBW-HNNXBMFYSA-N 1 0 378.563 4.000 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)NCc1cccc2ccccc21 ZINC000060565491 823543022 /nfs/dbraw/zinc/54/30/22/823543022.db2.gz CAAJYVBCSBXZDA-UHFFFAOYSA-N 1 0 379.479 4.252 20 0 GIADRO O=C(NCc1cccc2ccccc21)NCC1([NH+]2CCSCC2)CCCC1 ZINC000060573324 823543597 /nfs/dbraw/zinc/54/35/97/823543597.db2.gz LKKQKJKRKWJFTL-UHFFFAOYSA-N 1 0 383.561 4.001 20 0 GIADRO O=C(NCc1cccc2ccccc21)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000060574690 823543780 /nfs/dbraw/zinc/54/37/80/823543780.db2.gz SBJBXNWECLVSSR-OAQYLSRUSA-N 1 0 377.488 4.459 20 0 GIADRO C[C@H]([NH2+]Cc1cccnc1-n1cccn1)c1cc(Cl)ccc1OC(F)F ZINC000177906570 823544553 /nfs/dbraw/zinc/54/45/53/823544553.db2.gz JBCHYUFXOPFVMI-LBPRGKRZSA-N 1 0 378.810 4.373 20 0 GIADRO CCN(Cc1c[nH]c2ccccc12)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000190162202 823544880 /nfs/dbraw/zinc/54/48/80/823544880.db2.gz IQEMEBKKUPBVRA-OAQYLSRUSA-N 1 0 382.483 4.141 20 0 GIADRO Cc1cc(SC(C)(C)C)ccc1NC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000190165621 823545089 /nfs/dbraw/zinc/54/50/89/823545089.db2.gz URJTWYHBIRVPQT-INIZCTEOSA-N 1 0 393.597 4.195 20 0 GIADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCOc1cccc2ccccc21 ZINC000177911844 823545430 /nfs/dbraw/zinc/54/54/30/823545430.db2.gz WCOWOIRPKGJDRM-OAHLLOKOSA-N 1 0 383.879 4.274 20 0 GIADRO C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCOc1cccc2ccccc21 ZINC000177913319 823545625 /nfs/dbraw/zinc/54/56/25/823545625.db2.gz ZESODINNIZNGTA-CVDCTZTESA-N 1 0 375.516 4.114 20 0 GIADRO Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)NC(C)(C)C[NH+](C)C ZINC000411099693 823545816 /nfs/dbraw/zinc/54/58/16/823545816.db2.gz MHFOJLZPTXFNLH-UHFFFAOYSA-N 1 0 375.516 4.209 20 0 GIADRO CC(=O)c1cc(C(=O)N(CCC[NH+]2CCCC2)c2ccc(Cl)cc2)n(C)c1 ZINC000411100351 823545948 /nfs/dbraw/zinc/54/59/48/823545948.db2.gz IQMAWPOBHKLMLM-UHFFFAOYSA-N 1 0 387.911 4.014 20 0 GIADRO CC[C@H]([NH2+][C@H](C)c1ccc(NS(C)(=O)=O)cc1)c1ccccc1OC(F)F ZINC000177925496 823547119 /nfs/dbraw/zinc/54/71/19/823547119.db2.gz VMEYWEVLYQLSCC-DYVFJYSZSA-N 1 0 398.475 4.461 20 0 GIADRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(F)c(F)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123864132 823547277 /nfs/dbraw/zinc/54/72/77/823547277.db2.gz LFIPMUXEZRSGHW-UGSOOPFHSA-N 1 0 382.813 4.180 20 0 GIADRO O=C(C[C@H](Cc1ccccc1)c1ccccc1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000460943799 823547775 /nfs/dbraw/zinc/54/77/75/823547775.db2.gz OGEWFOQJYBAANO-ZEQRLZLVSA-N 1 0 376.544 4.490 20 0 GIADRO FC(F)(F)CN1CCC([NH2+]CCOc2ccccc2-c2ccccc2)CC1 ZINC000177933201 823547903 /nfs/dbraw/zinc/54/79/03/823547903.db2.gz JEVGIOUEPVQLCM-UHFFFAOYSA-N 1 0 378.438 4.349 20 0 GIADRO CCN(Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000190196420 823549428 /nfs/dbraw/zinc/54/94/28/823549428.db2.gz KQHYKOCESGNVNE-UHFFFAOYSA-N 1 0 390.531 4.495 20 0 GIADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2ncoc2-c2ccccc2Cl)C1 ZINC000460953955 823549704 /nfs/dbraw/zinc/54/97/04/823549704.db2.gz FTCRXAVQSMIZOI-HUUCEWRRSA-N 1 0 389.927 4.481 20 0 GIADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2ccc(OCc3ccccn3)cc2)C1 ZINC000460954952 823550085 /nfs/dbraw/zinc/55/00/85/823550085.db2.gz YQPQLLLTNNZUNJ-WOIUINJBSA-N 1 0 393.531 4.138 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1c[nH]nc1C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000190206717 823550736 /nfs/dbraw/zinc/55/07/36/823550736.db2.gz AXJXVBDHVKDEBB-KRWDZBQOSA-N 1 0 394.441 4.119 20 0 GIADRO COc1cc(OC)c([C@@H](C)[NH2+][C@@H]2CCN(C(=O)C3CCCCC3)C2)cc1Cl ZINC000123920262 823551681 /nfs/dbraw/zinc/55/16/81/823551681.db2.gz XYOBIWZOOJMWHW-GDBMZVCRSA-N 1 0 394.943 4.189 20 0 GIADRO Cc1cccc(NC(=O)CN(C)C(=O)c2cccc(C[NH+]3CCCCC3)c2)c1C ZINC000411152282 823552156 /nfs/dbraw/zinc/55/21/56/823552156.db2.gz FMBGLIBJOZJWRO-UHFFFAOYSA-N 1 0 393.531 4.000 20 0 GIADRO COc1cc2c(cc1OC)[C@H](c1cccs1)[N@H+](CCc1cncs1)CC2 ZINC000411152833 823552191 /nfs/dbraw/zinc/55/21/91/823552191.db2.gz HEOVMHJETNHTOM-HXUWFJFHSA-N 1 0 386.542 4.412 20 0 GIADRO C[NH+](C)CC(C)(C)CNC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1 ZINC000123932840 823552930 /nfs/dbraw/zinc/55/29/30/823552930.db2.gz RLEUGBQSSBHERN-UHFFFAOYSA-N 1 0 399.482 4.075 20 0 GIADRO CC[C@@]1(CO)CCC[N@H+](Cc2cn(C(C)(C)C)nc2-c2cccc(OC)c2)C1 ZINC000190232517 823553590 /nfs/dbraw/zinc/55/35/90/823553590.db2.gz STVHSOOSFPRISI-HSZRJFAPSA-N 1 0 385.552 4.298 20 0 GIADRO Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+][C@H]1CCc2ccc(C(C)C)cc21 ZINC000190235869 823554145 /nfs/dbraw/zinc/55/41/45/823554145.db2.gz ROYCOZVGHHYPBY-QFIPXVFZSA-N 1 0 383.536 4.352 20 0 GIADRO C[C@H](CNC(=O)C1(c2cccc(C(F)(F)F)c2)CCC1)C[NH+]1CCCCC1 ZINC000460979875 823554921 /nfs/dbraw/zinc/55/49/21/823554921.db2.gz CMQKCBQWORTNHL-MRXNPFEDSA-N 1 0 382.470 4.365 20 0 GIADRO Cc1cc(NC(=O)C(=O)N[C@H](c2ccccc2)C2CCCC2)ccc1C[NH+](C)C ZINC000411183483 823555041 /nfs/dbraw/zinc/55/50/41/823555041.db2.gz RZQCLERMIRLLAZ-JOCHJYFZSA-N 1 0 393.531 4.043 20 0 GIADRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@H]1CCCc2c(O)cccc21 ZINC000190244763 823555178 /nfs/dbraw/zinc/55/51/78/823555178.db2.gz ZWMCKALCXAXFPK-FQEVSTJZSA-N 1 0 396.556 4.308 20 0 GIADRO CCOC(=O)c1c(NC(=O)c2ccsc2)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC000060748878 823555223 /nfs/dbraw/zinc/55/52/23/823555223.db2.gz TZLLOFIBBCNOKJ-UHFFFAOYSA-N 1 0 392.546 4.398 20 0 GIADRO COc1ccc2sc(C(=O)N[C@H](Cc3ccccc3)C[NH+](C)C)c(C)c2c1 ZINC000460986253 823556110 /nfs/dbraw/zinc/55/61/10/823556110.db2.gz HMMOYLQGIKTFCZ-QGZVFWFLSA-N 1 0 382.529 4.121 20 0 GIADRO CC(C)Oc1ccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c(C(F)(F)F)c1 ZINC000123964837 823556184 /nfs/dbraw/zinc/55/61/84/823556184.db2.gz RTOLOYPCFWIVRB-RDTXWAMCSA-N 1 0 399.457 4.441 20 0 GIADRO C[N@@H+](Cc1ccc(Br)c(Br)c1)CC1CCOCC1 ZINC000123966526 823556331 /nfs/dbraw/zinc/55/63/31/823556331.db2.gz LLDCQUBRHNVYIS-UHFFFAOYSA-N 1 0 377.120 4.070 20 0 GIADRO CC1(C)C[C@@H](C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c2ccccc2O1 ZINC000411196471 823556332 /nfs/dbraw/zinc/55/63/32/823556332.db2.gz UNFMBDPCFBSYTD-OAQYLSRUSA-N 1 0 378.516 4.112 20 0 GIADRO O=C(OCC1CC[NH+](Cc2ccccc2)CC1)c1cnn(-c2ccccc2F)c1 ZINC000060771239 823556422 /nfs/dbraw/zinc/55/64/22/823556422.db2.gz YHOPCUHJQIVLAE-UHFFFAOYSA-N 1 0 393.462 4.080 20 0 GIADRO C[C@@H]([NH2+][C@H](CO)Cc1c[nH]c2ccccc12)c1ccc(Br)s1 ZINC000123982079 823557728 /nfs/dbraw/zinc/55/77/28/823557728.db2.gz RHFHKXYIKNXEPP-YPMHNXCESA-N 1 0 379.323 4.246 20 0 GIADRO C[C@@H](C[S@](C)=O)[NH2+]Cc1ccc(Oc2cccc(Br)c2)cc1 ZINC000190272237 823558119 /nfs/dbraw/zinc/55/81/19/823558119.db2.gz OMICDOLZBWSSJR-XMHCIUCPSA-N 1 0 382.323 4.098 20 0 GIADRO CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H](CO)Cc1c[nH]c2ccccc12 ZINC000123990175 823558216 /nfs/dbraw/zinc/55/82/16/823558216.db2.gz KXVYUURLKGCIIC-IEBWSBKVSA-N 1 0 393.531 4.202 20 0 GIADRO COCOc1ccc(OC)cc1C[NH2+]Cc1cc(Br)ccc1C ZINC000190296451 823560169 /nfs/dbraw/zinc/56/01/69/823560169.db2.gz KUDLRQMJKTZWGX-UHFFFAOYSA-N 1 0 380.282 4.039 20 0 GIADRO COc1ccc([C@@H](C[NH2+]Cc2cccc(OC)c2OC)N2CCCCC2)cc1 ZINC000060828311 823560594 /nfs/dbraw/zinc/56/05/94/823560594.db2.gz XANCINVFMAZADY-OAQYLSRUSA-N 1 0 384.520 4.029 20 0 GIADRO Cc1ccc([C@@H](NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)c2ccccc2)cc1 ZINC000411259508 823560735 /nfs/dbraw/zinc/56/07/35/823560735.db2.gz AYSWJSKZOGVKDM-PKTZIBPZSA-N 1 0 394.584 4.418 20 0 GIADRO CCN(CC)C(=O)c1ccc(NC(=O)c2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000411258309 823560736 /nfs/dbraw/zinc/56/07/36/823560736.db2.gz UWZRIKOZEFLSKA-UHFFFAOYSA-N 1 0 393.531 4.407 20 0 GIADRO O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N(Cc1ccco1)Cc1ccccc1 ZINC000411263626 823560953 /nfs/dbraw/zinc/56/09/53/823560953.db2.gz UFUMDVDBDGQFIG-FQEVSTJZSA-N 1 0 384.545 4.026 20 0 GIADRO O=C(N[C@@H](c1ccc(Cl)cc1)C1CC1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000411269302 823561254 /nfs/dbraw/zinc/56/12/54/823561254.db2.gz NRJGXXUBLUZVLE-RTBURBONSA-N 1 0 378.969 4.125 20 0 GIADRO Ic1ccccc1[C@H]1CCC[N@@H+]1CCc1cncs1 ZINC000411273011 823561425 /nfs/dbraw/zinc/56/14/25/823561425.db2.gz BRPNJTFQSHOFIQ-OAHLLOKOSA-N 1 0 384.286 4.127 20 0 GIADRO Cc1ccc(C[NH2+]Cc2cccc(Br)c2)c(-n2cc(Cl)cn2)n1 ZINC000190310910 823561781 /nfs/dbraw/zinc/56/17/81/823561781.db2.gz OLIWNZKZSAHTJK-UHFFFAOYSA-N 1 0 391.700 4.281 20 0 GIADRO Cc1csc([C@@H](NC(=O)[C@H](C)[NH+]2CCC(Cc3ccccc3)CC2)C2CC2)n1 ZINC000461034563 823562637 /nfs/dbraw/zinc/56/26/37/823562637.db2.gz ORENRZPCZTVZDJ-UWJYYQICSA-N 1 0 397.588 4.362 20 0 GIADRO CC[C@@H](C(=O)N[C@H]1c2ccccc2CC12CCOCC2)[N@H+](C)Cc1ccccc1 ZINC000461033831 823562747 /nfs/dbraw/zinc/56/27/47/823562747.db2.gz MYMJAKCDZSXYFH-GOTSBHOMSA-N 1 0 392.543 4.107 20 0 GIADRO FC(F)(F)c1ccc([C@@H]2C[N@H+](CC3CCC4(CC3)OCCO4)CCO2)cc1 ZINC000190331215 823563631 /nfs/dbraw/zinc/56/36/31/823563631.db2.gz NITROKLWNSBKDO-SFHVURJKSA-N 1 0 385.426 4.012 20 0 GIADRO Cc1ccc2ncc(C[N@@H+]3CCCN(C(=O)CCc4ccccc4)CC3)cc2c1 ZINC000411304515 823563805 /nfs/dbraw/zinc/56/38/05/823563805.db2.gz BZHWUJUSUIYITB-UHFFFAOYSA-N 1 0 387.527 4.210 20 0 GIADRO C[C@@H]1C[C@@H](N(C)Cc2c(Cl)nc(Cl)n2C)CC[N@@H+]1Cc1ccccc1 ZINC000124062177 823564253 /nfs/dbraw/zinc/56/42/53/823564253.db2.gz BPLDFSBGJYBOOR-ZBFHGGJFSA-N 1 0 381.351 4.212 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+][C@H](CO)Cc1c[nH]c2ccccc12 ZINC000124067735 823564808 /nfs/dbraw/zinc/56/48/08/823564808.db2.gz NONOUMPBLOVKJD-KDOFPFPSSA-N 1 0 392.528 4.249 20 0 GIADRO CC(C)(C)C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000060889834 823564942 /nfs/dbraw/zinc/56/49/42/823564942.db2.gz ZWJAUUUGAOBEHI-OALUTQOASA-N 1 0 386.536 4.022 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)Cc2csc(-c3ccc(Cl)s3)n2)CC[N@@H+]1C ZINC000124080943 823565846 /nfs/dbraw/zinc/56/58/46/823565846.db2.gz HEXOAQVVAGJZTD-WCQYABFASA-N 1 0 383.970 4.009 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)Cc2csc(-c3ccc(Cl)s3)n2)CC[N@@H+]1C ZINC000124081188 823565973 /nfs/dbraw/zinc/56/59/73/823565973.db2.gz HEXOAQVVAGJZTD-YPMHNXCESA-N 1 0 383.970 4.009 20 0 GIADRO O=C(C[C@H](Cc1ccccc1)c1ccccc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000461051965 823566201 /nfs/dbraw/zinc/56/62/01/823566201.db2.gz LNGWVLJKZKSZJB-VWNXMTODSA-N 1 0 376.544 4.347 20 0 GIADRO CCN(Cc1ccc2ccccc2c1)C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000411361124 823566265 /nfs/dbraw/zinc/56/62/65/823566265.db2.gz XDLQWIWGVNPJKT-JOCHJYFZSA-N 1 0 382.573 4.406 20 0 GIADRO COc1cc(NC(=O)CC[NH2+][C@H](c2ccccc2)C2CCC2)cc(OC)c1OC ZINC000411365549 823566665 /nfs/dbraw/zinc/56/66/65/823566665.db2.gz NWMFIZJLBWLMQE-JOCHJYFZSA-N 1 0 398.503 4.172 20 0 GIADRO CC(C)(Cc1ccc(Br)cc1)[NH2+]Cc1nc2ccsc2c(=O)[nH]1 ZINC000411366907 823566681 /nfs/dbraw/zinc/56/66/81/823566681.db2.gz FXVUKEPCLOWMNL-UHFFFAOYSA-N 1 0 392.322 4.270 20 0 GIADRO O=C(C[NH2+]C1(c2ccc(Cl)cc2)CCOCC1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000411369519 823566947 /nfs/dbraw/zinc/56/69/47/823566947.db2.gz QJMGKBYPQFXXTL-PXNSSMCTSA-N 1 0 390.955 4.117 20 0 GIADRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)Nc1cccc(NC(C)=O)c1C ZINC000124091577 823566994 /nfs/dbraw/zinc/56/69/94/823566994.db2.gz AADPKQLVENLNJR-UHFFFAOYSA-N 1 0 396.535 4.329 20 0 GIADRO COc1ccc([C@@H](C)N(C)C(=O)NCc2ccccc2C[N@H+](C)C(C)C)cc1 ZINC000124093006 823567008 /nfs/dbraw/zinc/56/70/08/823567008.db2.gz DGCKFNQBNXEVHR-GOSISDBHSA-N 1 0 383.536 4.438 20 0 GIADRO CC[C@](C)([NH2+]CCC(=O)Nc1cc(Cl)ccc1OC)c1nc(C)cs1 ZINC000411382000 823567986 /nfs/dbraw/zinc/56/79/86/823567986.db2.gz FWUCHXQKHBWOOJ-SFHVURJKSA-N 1 0 381.929 4.357 20 0 GIADRO FC(F)Oc1cccc(C[NH2+]C[C@H](c2ccc(Cl)cc2)N2CCOCC2)c1 ZINC000060950168 823568832 /nfs/dbraw/zinc/56/88/32/823568832.db2.gz ZYMZAQGQSPKZDP-LJQANCHMSA-N 1 0 396.865 4.105 20 0 GIADRO O[C@@H](C[NH2+]Cc1cccc(Br)c1)c1ccc(OC(F)(F)F)cc1 ZINC000060953044 823568974 /nfs/dbraw/zinc/56/89/74/823568974.db2.gz HBBBHSIFCFAXNX-HNNXBMFYSA-N 1 0 390.199 4.171 20 0 GIADRO Cc1nc(C(C)(C)[NH2+]CCC(=O)Nc2ccccc2Br)sc1C ZINC000411391742 823569238 /nfs/dbraw/zinc/56/92/38/823569238.db2.gz TWBBCNUFVVBZDT-UHFFFAOYSA-N 1 0 396.354 4.376 20 0 GIADRO CNC(=O)CCC[N@H+](C)Cc1sc(-c2ccc(C(F)(F)F)cc2)nc1C ZINC000411398081 823570158 /nfs/dbraw/zinc/57/01/58/823570158.db2.gz AOSZIJUEQVRBSK-UHFFFAOYSA-N 1 0 385.455 4.095 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)Nc1nnc(C2CC2)s1 ZINC000060972050 823570361 /nfs/dbraw/zinc/57/03/61/823570361.db2.gz NVYIJPRHWMMNJH-UHFFFAOYSA-N 1 0 385.537 4.113 20 0 GIADRO c1nc(C2CCCC2)sc1C[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000124130305 823570386 /nfs/dbraw/zinc/57/03/86/823570386.db2.gz VHKZLWFIMCBUCY-KRWDZBQOSA-N 1 0 385.581 4.498 20 0 GIADRO COC(=O)c1cc(C[N@@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)cs1 ZINC000411399799 823570425 /nfs/dbraw/zinc/57/04/25/823570425.db2.gz MISUPFRMEDJYBG-NSHDSACASA-N 1 0 390.452 4.390 20 0 GIADRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]CCC(=O)Nc1c(Cl)cccc1Cl ZINC000411407173 823570991 /nfs/dbraw/zinc/57/09/91/823570991.db2.gz KTTIUXIGFIGINN-KZULUSFZSA-N 1 0 387.307 4.034 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)cc1OCC ZINC000124140814 823571219 /nfs/dbraw/zinc/57/12/19/823571219.db2.gz JCQDQJTZHBZXCF-QFBILLFUSA-N 1 0 382.504 4.220 20 0 GIADRO c1cncc(-c2cccc(C[N@@H+]3CCC[C@@H](c4nnc5n4CCCCC5)C3)c2)c1 ZINC000124143368 823571433 /nfs/dbraw/zinc/57/14/33/823571433.db2.gz ARNFSJVQBKFQNJ-JOCHJYFZSA-N 1 0 387.531 4.446 20 0 GIADRO CC(C)c1c(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cnn1-c1ccc(Cl)cc1 ZINC000124143904 823571569 /nfs/dbraw/zinc/57/15/69/823571569.db2.gz HMTLLFYHXSKVEC-QAPCUYQASA-N 1 0 388.943 4.204 20 0 GIADRO O=C(CC[N@@H+]1CCC[C@H]1c1ccncc1)Nc1ccc(Br)cc1F ZINC000411415395 823571702 /nfs/dbraw/zinc/57/17/02/823571702.db2.gz JQQDUJPHNXUNEV-KRWDZBQOSA-N 1 0 392.272 4.149 20 0 GIADRO COc1ccc([C@H](Cc2ccccc2)NC(=O)c2ccc(C[NH+](C)C)cc2)cc1 ZINC000461079669 823571855 /nfs/dbraw/zinc/57/18/55/823571855.db2.gz FTSXYBCJAXOYEC-DEOSSOPVSA-N 1 0 388.511 4.471 20 0 GIADRO C[C@@H](c1ccncc1)[N@H+](C)CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000411417956 823571909 /nfs/dbraw/zinc/57/19/09/823571909.db2.gz JFZBCRDQBUGIHN-JTSKRJEESA-N 1 0 379.529 4.432 20 0 GIADRO Cc1cccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)c1 ZINC000124151609 823572349 /nfs/dbraw/zinc/57/23/49/823572349.db2.gz LGOATUNIUDLPNL-LJQANCHMSA-N 1 0 390.535 4.083 20 0 GIADRO COc1ccc([C@H](Cc2ccccc2)NC(=O)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000461081450 823572506 /nfs/dbraw/zinc/57/25/06/823572506.db2.gz LWNQKNCMNPKAHB-GGAORHGYSA-N 1 0 380.532 4.360 20 0 GIADRO COc1cccc(CCNC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)c1 ZINC000061011612 823572686 /nfs/dbraw/zinc/57/26/86/823572686.db2.gz ASEUPPLRPGZHRH-UHFFFAOYSA-N 1 0 395.547 4.113 20 0 GIADRO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1CCC(=O)Nc1c(Cl)cccc1Cl ZINC000411427859 823573024 /nfs/dbraw/zinc/57/30/24/823573024.db2.gz RGSXVUNIIBGMKG-OAHLLOKOSA-N 1 0 381.307 4.499 20 0 GIADRO COc1cc(C[NH2+]Cc2ccc(Br)cc2F)ccc1OC(F)F ZINC000061016261 823573079 /nfs/dbraw/zinc/57/30/79/823573079.db2.gz HYZHKGFCIHEKLN-UHFFFAOYSA-N 1 0 390.199 4.488 20 0 GIADRO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+][C@H](C)CCc1ccc(OC(F)F)cc1 ZINC000190432674 823573131 /nfs/dbraw/zinc/57/31/31/823573131.db2.gz SFBKUNQORDEWMD-MNEFBYGVSA-N 1 0 393.478 4.335 20 0 GIADRO Cc1cccc2c1OCC[C@H]2NC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000190432625 823573179 /nfs/dbraw/zinc/57/31/79/823573179.db2.gz IBMUKAUGGPAKKY-HXUWFJFHSA-N 1 0 399.560 4.092 20 0 GIADRO Cc1ccc(Cl)c(NC(=O)C(=O)Nc2cccc(CC[N@@H+](C)C3CC3)c2)c1C ZINC000411429650 823573219 /nfs/dbraw/zinc/57/32/19/823573219.db2.gz ROWHZBKCAOVJPW-UHFFFAOYSA-N 1 0 399.922 4.171 20 0 GIADRO C[C@H](c1cccnc1)[N@H+](C)CCc1nc2sc3c(c2c(N)n1)CC[C@H](C)C3 ZINC000411431067 823573294 /nfs/dbraw/zinc/57/32/94/823573294.db2.gz ZEJCZOZRKUDGGW-UONOGXRCSA-N 1 0 381.549 4.029 20 0 GIADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)CSCc2cccc(Cl)c2)CC1 ZINC000124162009 823573448 /nfs/dbraw/zinc/57/34/48/823573448.db2.gz MHZCJBMXZFTIRK-UHFFFAOYSA-N 1 0 392.952 4.289 20 0 GIADRO O=C([C@H]1CC12CC[NH+](Cc1ccc(-c3ncco3)cc1F)CC2)N1CCCCC1 ZINC000411431309 823573606 /nfs/dbraw/zinc/57/36/06/823573606.db2.gz PSEYIUADVBCVRF-LJQANCHMSA-N 1 0 397.494 4.095 20 0 GIADRO CC(C)[C@@H]([NH2+]CCc1nc(-c2ccccc2)no1)c1ccc2c(c1)OCCO2 ZINC000411434591 823573728 /nfs/dbraw/zinc/57/37/28/823573728.db2.gz AHYUGMVKIKKMTE-OAQYLSRUSA-N 1 0 379.460 4.037 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+]CCc2nc(-c3ccccc3)no2)cc1OCC ZINC000411436343 823574012 /nfs/dbraw/zinc/57/40/12/823574012.db2.gz HGFKTMPQNZWVTP-MRXNPFEDSA-N 1 0 381.476 4.427 20 0 GIADRO COc1cc(Br)c(C[NH2+]CCSc2ccccc2)cc1OC ZINC000061030644 823574281 /nfs/dbraw/zinc/57/42/81/823574281.db2.gz OMRGPNMWLFKPDD-UHFFFAOYSA-N 1 0 382.323 4.348 20 0 GIADRO COc1cc(Br)ccc1[C@@H](C)[NH2+]Cc1cccc(NC(C)=O)c1 ZINC000190440296 823574347 /nfs/dbraw/zinc/57/43/47/823574347.db2.gz NUDOJPNOYSLYCS-GFCCVEGCSA-N 1 0 377.282 4.267 20 0 GIADRO CCOc1ccccc1NC(=O)CC[NH2+][C@@H](C)c1ccccc1OC(F)F ZINC000411440268 823574465 /nfs/dbraw/zinc/57/44/65/823574465.db2.gz BJGASLPXZYRLPM-AWEZNQCLSA-N 1 0 378.419 4.366 20 0 GIADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCCC(=O)Nc2ccc(Cl)cc2)C[C@H]1C ZINC000461089792 823574742 /nfs/dbraw/zinc/57/47/42/823574742.db2.gz OUGMRIHQWYMIQP-FHLIZLRMSA-N 1 0 380.916 4.016 20 0 GIADRO COc1ccc([C@H](Cc2ccccc2)NC(=O)C2CC[NH+](C(C)C)CC2)cc1 ZINC000461089677 823574765 /nfs/dbraw/zinc/57/47/65/823574765.db2.gz OLVSHBWMCCOCJF-QHCPKHFHSA-N 1 0 380.532 4.216 20 0 GIADRO Cc1nc(-c2cccs2)ccc1C(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000124178118 823575088 /nfs/dbraw/zinc/57/50/88/823575088.db2.gz UQYYKGSCFNKFJD-UHFFFAOYSA-N 1 0 395.528 4.448 20 0 GIADRO COc1cc(C[NH2+][C@H](C)c2ccc(Br)cc2OC)cc(OC)c1 ZINC000190445421 823575308 /nfs/dbraw/zinc/57/53/08/823575308.db2.gz FZDVZPXWCNVYNC-GFCCVEGCSA-N 1 0 380.282 4.326 20 0 GIADRO COc1cc(Br)ccc1[C@H](C)[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000190447675 823575595 /nfs/dbraw/zinc/57/55/95/823575595.db2.gz PQSCMNGZEYUGEE-LBPRGKRZSA-N 1 0 387.277 4.150 20 0 GIADRO FC(F)(F)Oc1cccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)c1 ZINC000124190627 823576012 /nfs/dbraw/zinc/57/60/12/823576012.db2.gz WRLDASDPXDDYBR-INIZCTEOSA-N 1 0 394.441 4.283 20 0 GIADRO COc1cc(C)c([C@@H](C)[NH2+]CCC(=O)Nc2ccccc2Cl)cc1OC ZINC000411452854 823576179 /nfs/dbraw/zinc/57/61/79/823576179.db2.gz WUHATPDDONAHKH-CQSZACIVSA-N 1 0 376.884 4.345 20 0 GIADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H](C)CSc2ccccc2OC)C[C@H]1C ZINC000461098187 823576593 /nfs/dbraw/zinc/57/65/93/823576593.db2.gz NNKLIXCXXJWUDD-ZJPYXAASSA-N 1 0 379.566 4.381 20 0 GIADRO COc1cccc([C@H](C)[NH2+]CCC(=O)Nc2ccccc2Br)c1 ZINC000411457231 823576819 /nfs/dbraw/zinc/57/68/19/823576819.db2.gz KWGKBFWECVQLLE-ZDUSSCGKSA-N 1 0 377.282 4.137 20 0 GIADRO CCCCCNC(=O)C[NH2+][C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000411461218 823577360 /nfs/dbraw/zinc/57/73/60/823577360.db2.gz SNIGTEXPODWAKI-MRXNPFEDSA-N 1 0 385.483 4.035 20 0 GIADRO COc1ccc([C@@H](CNC(=O)N[C@H](C)CCc2ccco2)[NH+]2CCCCC2)cc1 ZINC000061075865 823577384 /nfs/dbraw/zinc/57/73/84/823577384.db2.gz JOCYHVRLGVRQDC-XMSQKQJNSA-N 1 0 399.535 4.136 20 0 GIADRO CCCCCNC(=O)C[NH2+][C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000411461215 823577404 /nfs/dbraw/zinc/57/74/04/823577404.db2.gz SNIGTEXPODWAKI-INIZCTEOSA-N 1 0 385.483 4.035 20 0 GIADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)[C@H](C)c1cccc(Cl)c1 ZINC000461101097 823577493 /nfs/dbraw/zinc/57/74/93/823577493.db2.gz CEPQLFUXXSASQO-UTKZUKDTSA-N 1 0 385.939 4.352 20 0 GIADRO CO[C@]1(C[NH2+][C@@H]2CC[C@@H]3[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]23C)CCOC1 ZINC000461101238 823577531 /nfs/dbraw/zinc/57/75/31/823577531.db2.gz SEIHBTHALYEADM-PQZIIDKGSA-N 1 0 385.548 4.012 20 0 GIADRO CO[C@]1(C[NH2+][C@H](c2ccccc2)c2cc(Br)ccc2F)CCOC1 ZINC000461102454 823577717 /nfs/dbraw/zinc/57/77/17/823577717.db2.gz PBXFAVKOLDURFN-MOPGFXCFSA-N 1 0 394.284 4.073 20 0 GIADRO CCCCNC(=O)CC[NH2+][C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000411464306 823577792 /nfs/dbraw/zinc/57/77/92/823577792.db2.gz XXWUAMVAEQRMSV-MRXNPFEDSA-N 1 0 385.483 4.035 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CC(=O)N(Cc2ccco2)Cc2ccccc2)cc1 ZINC000411463742 823577803 /nfs/dbraw/zinc/57/78/03/823577803.db2.gz SOWJDQUNUFGSQZ-GOSISDBHSA-N 1 0 378.472 4.168 20 0 GIADRO CO[C@@]1(C[NH2+][C@H](c2ccc(Br)cc2)c2ccccc2F)CCOC1 ZINC000461104992 823578247 /nfs/dbraw/zinc/57/82/47/823578247.db2.gz YMRQUDHERUYZQM-RTBURBONSA-N 1 0 394.284 4.073 20 0 GIADRO CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3ccc(-c4ncco4)cc3F)ccc2NC1=O ZINC000411470682 823578527 /nfs/dbraw/zinc/57/85/27/823578527.db2.gz JHIUCPFVBRJRSU-ORAYPTAESA-N 1 0 395.434 4.441 20 0 GIADRO COc1ccc2c(c1)CCC[C@@H]2C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000124219168 823578554 /nfs/dbraw/zinc/57/85/54/823578554.db2.gz OFBPFOIDSYMMBY-WMLDXEAASA-N 1 0 391.508 4.009 20 0 GIADRO Cc1nn(C)c(C)c1CC[NH2+][C@H]1CCSc2ccc(Br)cc21 ZINC000124222111 823578684 /nfs/dbraw/zinc/57/86/84/823578684.db2.gz YKYJILRXUDPRFE-INIZCTEOSA-N 1 0 380.355 4.169 20 0 GIADRO COc1ccccc1-c1ccc([C@H](C)[NH2+]CC(=O)N(C)Cc2ccco2)cc1 ZINC000411470938 823578693 /nfs/dbraw/zinc/57/86/93/823578693.db2.gz JQWLTPLAXRHHPX-KRWDZBQOSA-N 1 0 378.472 4.264 20 0 GIADRO COc1cc(NC(=O)CC[NH2+][C@H](C)c2cccc(C)c2C)cc(OC)c1OC ZINC000411471246 823578771 /nfs/dbraw/zinc/57/87/71/823578771.db2.gz PUYWPUIAHINXCO-MRXNPFEDSA-N 1 0 386.492 4.009 20 0 GIADRO COC[C@@H]([NH2+]CCC(=O)Nc1ccccc1C(F)(F)F)c1ccc(F)cc1 ZINC000411474699 823579124 /nfs/dbraw/zinc/57/91/24/823579124.db2.gz LZYZBXTZQNCQJI-QGZVFWFLSA-N 1 0 384.373 4.150 20 0 GIADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2NC(=O)c2cccs2)C1 ZINC000124228022 823579275 /nfs/dbraw/zinc/57/92/75/823579275.db2.gz GUVMVBLNLDDAEG-QGZVFWFLSA-N 1 0 399.560 4.098 20 0 GIADRO Cn1cc([C@H]([NH2+]CCC(=O)Nc2ccccc2C(F)(F)F)C(C)(C)C)cn1 ZINC000411475149 823579300 /nfs/dbraw/zinc/57/93/00/823579300.db2.gz NBPLWSDJYFSEPL-KRWDZBQOSA-N 1 0 382.430 4.145 20 0 GIADRO CC[C@H]([NH2+]Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1)C1CCOCC1 ZINC000411478459 823579404 /nfs/dbraw/zinc/57/94/04/823579404.db2.gz KGDGTMRGFWNNTN-KRWDZBQOSA-N 1 0 383.517 4.359 20 0 GIADRO C[C@@H]([NH2+]CCc1nc2ccccc2c(=O)[nH]1)c1ccc(OCC2CC2)c(F)c1 ZINC000411478079 823579491 /nfs/dbraw/zinc/57/94/91/823579491.db2.gz TWBAYRZIZRWYPR-CQSZACIVSA-N 1 0 381.451 4.157 20 0 GIADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2NC(=O)c2ccsc2)C1 ZINC000124231006 823579476 /nfs/dbraw/zinc/57/94/76/823579476.db2.gz SQQVTIBJIVXPGU-QGZVFWFLSA-N 1 0 399.560 4.098 20 0 GIADRO CC[C@@H]([NH2+]Cc1c(F)c(F)c(Br)c(F)c1F)C1CCOCC1 ZINC000411478158 823579503 /nfs/dbraw/zinc/57/95/03/823579503.db2.gz KAGFKLDIUCNJBR-SNVBAGLBSA-N 1 0 384.211 4.300 20 0 GIADRO CC[N@H+](Cc1c[nH]c2ccccc12)[C@H](C)C(=O)Nc1ccc(OC)cc1OC ZINC000190482069 823579785 /nfs/dbraw/zinc/57/97/85/823579785.db2.gz HZLKHXIPWNVJHQ-OAHLLOKOSA-N 1 0 381.476 4.034 20 0 GIADRO O=C(C[C@H](Cc1ccccc1)c1ccccc1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000461117109 823580496 /nfs/dbraw/zinc/58/04/96/823580496.db2.gz PPUDSCXJJFXIIH-BJKOFHAPSA-N 1 0 376.544 4.490 20 0 GIADRO CCOCCOCc1cccc(NC(=O)c2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000411487013 823580612 /nfs/dbraw/zinc/58/06/12/823580612.db2.gz FMHADTUTFNMUAM-UHFFFAOYSA-N 1 0 396.531 4.478 20 0 GIADRO CC[N@H+](Cc1c[nH]c2ccccc12)[C@H](C)C(=O)Nc1cc(OC)ccc1OC ZINC000190492880 823580688 /nfs/dbraw/zinc/58/06/88/823580688.db2.gz RUCBQHITEJKGTD-OAHLLOKOSA-N 1 0 381.476 4.034 20 0 GIADRO COc1cccc([C@@H]2CCC[N@@H+]2Cc2ccccc2OCC(=O)N2CCCC2)c1 ZINC000124247108 823580787 /nfs/dbraw/zinc/58/07/87/823580787.db2.gz KUWQOLVBNSXPAY-QFIPXVFZSA-N 1 0 394.515 4.034 20 0 GIADRO COc1ccc(NC(=O)NC2CC[NH+](C3CC3)CC2)c(OCc2ccccc2)c1 ZINC000190494096 823580911 /nfs/dbraw/zinc/58/09/11/823580911.db2.gz ITZJXBROWRDMCX-UHFFFAOYSA-N 1 0 395.503 4.023 20 0 GIADRO CC(C)n1nccc1NC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000124248845 823580889 /nfs/dbraw/zinc/58/08/89/823580889.db2.gz NYTYYFVHFMIYGD-KRWDZBQOSA-N 1 0 375.904 4.076 20 0 GIADRO CC(C)n1nccc1NC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000124249034 823580948 /nfs/dbraw/zinc/58/09/48/823580948.db2.gz NYTYYFVHFMIYGD-QGZVFWFLSA-N 1 0 375.904 4.076 20 0 GIADRO COc1cc(NC(=O)CC[NH2+][C@H](C)[C@H](C)c2ccccc2)c(OC)cc1Cl ZINC000411493827 823581190 /nfs/dbraw/zinc/58/11/90/823581190.db2.gz SRTPHPCPTYCQPM-LSDHHAIUSA-N 1 0 390.911 4.468 20 0 GIADRO CCCOc1cccc(NC(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)c1 ZINC000061158868 823581221 /nfs/dbraw/zinc/58/12/21/823581221.db2.gz UYYAHVRTTLPLKV-UHFFFAOYSA-N 1 0 381.520 4.258 20 0 GIADRO COc1cccc([C@H]2CCC[N@@H+]2Cc2c(C)nn(C)c2OCC(F)(F)F)c1 ZINC000124258321 823581575 /nfs/dbraw/zinc/58/15/75/823581575.db2.gz DQBYTIVJEFNDJE-QGZVFWFLSA-N 1 0 383.414 4.015 20 0 GIADRO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CCC[C@H]1c1cccc(Cl)c1 ZINC000411501938 823581874 /nfs/dbraw/zinc/58/18/74/823581874.db2.gz VPQPSOMORDLLDS-MOPGFXCFSA-N 1 0 378.969 4.221 20 0 GIADRO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000411518516 823583625 /nfs/dbraw/zinc/58/36/25/823583625.db2.gz IWJQUHOTTBFBKB-AWEZNQCLSA-N 1 0 386.458 4.143 20 0 GIADRO CC[C@@H]([NH2+]CCC(=O)Nc1c(Cl)cccc1Cl)c1c(C)nn(C)c1C ZINC000411518672 823583714 /nfs/dbraw/zinc/58/37/14/823583714.db2.gz PWJOSWMIPDMTTN-OAHLLOKOSA-N 1 0 383.323 4.413 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000124285686 823583827 /nfs/dbraw/zinc/58/38/27/823583827.db2.gz SDOVPARXXURZQC-DLBZAZTESA-N 1 0 394.441 4.138 20 0 GIADRO CC[C@@H]([NH2+]CCC(=O)Nc1ccccc1Br)c1c(C)noc1C ZINC000411521046 823584055 /nfs/dbraw/zinc/58/40/55/823584055.db2.gz XPCYQBXMCOOITR-CQSZACIVSA-N 1 0 380.286 4.123 20 0 GIADRO CC[C@@H]([NH2+]CCC(=O)Nc1cccc(OC)c1)c1nc(C(F)(F)F)cs1 ZINC000411520933 823584162 /nfs/dbraw/zinc/58/41/62/823584162.db2.gz XNYYFWDLXNZDTF-CYBMUJFWSA-N 1 0 387.427 4.240 20 0 GIADRO C[C@H]1C[C@@H](c2cccnc2)[N@H+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000411524011 823584508 /nfs/dbraw/zinc/58/45/08/823584508.db2.gz JMWZFRYYXSOCFQ-KSSFIOAISA-N 1 0 388.309 4.256 20 0 GIADRO CC(C)(C)OC(=O)C1CCC([NH2+]Cc2nccn2CCc2ccccc2)CC1 ZINC000124292288 823584664 /nfs/dbraw/zinc/58/46/64/823584664.db2.gz DOSPFWVCHSQUEE-UHFFFAOYSA-N 1 0 383.536 4.116 20 0 GIADRO CC(C)Oc1ccc(CNC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000061230484 823585685 /nfs/dbraw/zinc/58/56/85/823585685.db2.gz BGNURPUIJKFMGC-JOCHJYFZSA-N 1 0 381.520 4.110 20 0 GIADRO Cc1cnc([C@H](C)[NH2+]CCC(=O)NC(c2ccccc2)c2ccccc2)s1 ZINC000411537236 823586032 /nfs/dbraw/zinc/58/60/32/823586032.db2.gz IKZJXYYAONIXNL-KRWDZBQOSA-N 1 0 379.529 4.398 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)cc1 ZINC000190558494 823586512 /nfs/dbraw/zinc/58/65/12/823586512.db2.gz UPRXGMQDDHCJSQ-NRFANRHFSA-N 1 0 393.531 4.019 20 0 GIADRO CC(=O)c1cccc(OC[C@@H](O)C[N@H+](Cc2cccc(Cl)c2)C(C)C)c1 ZINC000061255280 823587501 /nfs/dbraw/zinc/58/75/01/823587501.db2.gz KXNNGOJQBFZGGO-FQEVSTJZSA-N 1 0 375.896 4.193 20 0 GIADRO Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000124342228 823588789 /nfs/dbraw/zinc/58/87/89/823588789.db2.gz UMYIROVRDNFGFQ-AWEZNQCLSA-N 1 0 375.900 4.154 20 0 GIADRO COc1ccccc1[C@@H](O)C[NH2+][C@H](c1ccc(Br)s1)C1CC1 ZINC000190591430 823589121 /nfs/dbraw/zinc/58/91/21/823589121.db2.gz NKGNPTUDVMCWAQ-GUYCJALGSA-N 1 0 382.323 4.294 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)[C@H](NC(=O)c2ccccc2F)C(C)C)cc1 ZINC000190597000 823589872 /nfs/dbraw/zinc/58/98/72/823589872.db2.gz YRCMEGUZOZZJES-OAQYLSRUSA-N 1 0 399.510 4.061 20 0 GIADRO CS(=O)(=O)c1ccc(C[NH2+][C@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)o1 ZINC000411604260 823590086 /nfs/dbraw/zinc/59/00/86/823590086.db2.gz GGXIUWHHXVBVBN-HOTGVXAUSA-N 1 0 387.423 4.128 20 0 GIADRO CS(=O)(=O)c1ccc(C[NH2+][C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)o1 ZINC000411604258 823590124 /nfs/dbraw/zinc/59/01/24/823590124.db2.gz GGXIUWHHXVBVBN-CVEARBPZSA-N 1 0 387.423 4.128 20 0 GIADRO C[C@H]([NH2+]CCC(=O)N1CCc2sccc2C1)c1ccc(Br)s1 ZINC000411605365 823590223 /nfs/dbraw/zinc/59/02/23/823590223.db2.gz QHLPMVFAYCLOQI-NSHDSACASA-N 1 0 399.379 4.198 20 0 GIADRO CS(=O)(=O)c1ccc(C[NH2+][C@H]2CCC[C@H]2c2ccccc2C(F)(F)F)o1 ZINC000411608797 823590421 /nfs/dbraw/zinc/59/04/21/823590421.db2.gz LKRFXBNEKDXSHV-HOCLYGCPSA-N 1 0 387.423 4.128 20 0 GIADRO C[C@@H]([NH2+]CCc1nc(-c2ccccc2)no1)c1ccc(Br)s1 ZINC000411608672 823590521 /nfs/dbraw/zinc/59/05/21/823590521.db2.gz FIMDROUOGIRYAB-LLVKDONJSA-N 1 0 378.295 4.454 20 0 GIADRO CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)o1 ZINC000411608795 823590532 /nfs/dbraw/zinc/59/05/32/823590532.db2.gz LKRFXBNEKDXSHV-GDBMZVCRSA-N 1 0 387.423 4.128 20 0 GIADRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@H]1Cc2ccccc2S1 ZINC000061307980 823590763 /nfs/dbraw/zinc/59/07/63/823590763.db2.gz NSOBSRAFPOQPPJ-HXUWFJFHSA-N 1 0 384.570 4.199 20 0 GIADRO CC(=O)Nc1cc(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)ccc1C ZINC000061307651 823590798 /nfs/dbraw/zinc/59/07/98/823590798.db2.gz BLSATUGURLKXSR-UHFFFAOYSA-N 1 0 397.544 4.063 20 0 GIADRO COC(=O)C[C@@](C)([NH2+]Cc1cnc2ccc(C)cc2c1)c1cccc(OC)c1 ZINC000411613519 823590915 /nfs/dbraw/zinc/59/09/15/823590915.db2.gz PSRTXKVDXLVORZ-HSZRJFAPSA-N 1 0 378.472 4.120 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCc3c(F)cccc3C2)CC1 ZINC000124373769 823591301 /nfs/dbraw/zinc/59/13/01/823591301.db2.gz ALCABEDDVNCVBY-QGZVFWFLSA-N 1 0 381.495 4.119 20 0 GIADRO CC(C)n1ncc2cc(C[NH2+]CCCc3nc4ccccc4n3C)c(Cl)nc21 ZINC000124373592 823591373 /nfs/dbraw/zinc/59/13/73/823591373.db2.gz NBQAHCFBNHKPCU-UHFFFAOYSA-N 1 0 396.926 4.275 20 0 GIADRO C[C@@H]([NH2+]CCC(=O)N1CCc2sccc2C1)c1ccc(Br)s1 ZINC000411621375 823591620 /nfs/dbraw/zinc/59/16/20/823591620.db2.gz QHLPMVFAYCLOQI-LLVKDONJSA-N 1 0 399.379 4.198 20 0 GIADRO COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H](C)[NH2+][C@H](C)c2cc3ccccc3o2)c1 ZINC000190620541 823592358 /nfs/dbraw/zinc/59/23/58/823592358.db2.gz YAOUTJMEMIQAQK-BZUAXINKSA-N 1 0 396.487 4.367 20 0 GIADRO CCCn1ccnc1CCC[N@H+](C)CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000411631581 823592643 /nfs/dbraw/zinc/59/26/43/823592643.db2.gz MXXHLAGWCWAOIN-UHFFFAOYSA-N 1 0 397.350 4.493 20 0 GIADRO CCC1(CC)[C@H]([NH2+]Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)C[C@H]1OC ZINC000411636180 823592741 /nfs/dbraw/zinc/59/27/41/823592741.db2.gz XEOBZPPPIIBYEB-HUUCEWRRSA-N 1 0 387.505 4.340 20 0 GIADRO Cn1c(CCC[NH2+]Cc2cccc(OCC(F)(F)F)c2)nc2ccccc21 ZINC000124392572 823592827 /nfs/dbraw/zinc/59/28/27/823592827.db2.gz ASDVVEXRBPJGDG-UHFFFAOYSA-N 1 0 377.410 4.237 20 0 GIADRO Cn1c(CCC[NH2+]Cc2csc(COc3ccccc3)n2)nc2ccccc21 ZINC000124395038 823593023 /nfs/dbraw/zinc/59/30/23/823593023.db2.gz DASUZHBIFSLXDB-UHFFFAOYSA-N 1 0 392.528 4.331 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NC[C@H](c1ccccc1)C(C)C ZINC000124412403 823594688 /nfs/dbraw/zinc/59/46/88/823594688.db2.gz YOTFAPZEAPWGQN-QFIPXVFZSA-N 1 0 394.563 4.308 20 0 GIADRO COc1ccc(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)cc1OC(F)F ZINC000061399816 823595436 /nfs/dbraw/zinc/59/54/36/823595436.db2.gz RPAOTPCMFNGHFD-UHFFFAOYSA-N 1 0 396.478 4.215 20 0 GIADRO CCOc1ccccc1NC(=O)CC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@@H]1O ZINC000411662993 823595746 /nfs/dbraw/zinc/59/57/46/823595746.db2.gz OUJFSDFKYPFZRT-MMKMLUHNSA-N 1 0 388.552 4.066 20 0 GIADRO C[C@H]1OCC[C@]1(O)C[N@H+](Cc1ccccc1)Cc1ccc(-c2ncco2)cc1F ZINC000411677442 823596560 /nfs/dbraw/zinc/59/65/60/823596560.db2.gz RAXILCIQVHUPFP-HXOBKFHXSA-N 1 0 396.462 4.023 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@@H](C)[C@H](O)c2ccc(F)cc2)nnn1-c1ccc(Cl)cc1 ZINC000124461453 823598565 /nfs/dbraw/zinc/59/85/65/823598565.db2.gz OOIICSRRLFFDHW-QAJFTPDKSA-N 1 0 388.874 4.141 20 0 GIADRO CC[C@@H]([NH2+]CCC(=O)NCc1ccccc1Cl)c1ccc(OC)c(OC)c1 ZINC000411719271 823599755 /nfs/dbraw/zinc/59/97/55/823599755.db2.gz NEHKDBKLZRGQGV-GOSISDBHSA-N 1 0 390.911 4.104 20 0 GIADRO COc1ccc2ccccc2c1CNC(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000061501149 823600077 /nfs/dbraw/zinc/60/00/77/823600077.db2.gz AGIDADCORAHCQB-UHFFFAOYSA-N 1 0 391.515 4.170 20 0 GIADRO O=C(CCSCc1ccccn1)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000061503513 823600244 /nfs/dbraw/zinc/60/02/44/823600244.db2.gz UZQHFFOURABOCP-UHFFFAOYSA-N 1 0 397.588 4.397 20 0 GIADRO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1[NH2+]Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000411725528 823600308 /nfs/dbraw/zinc/60/03/08/823600308.db2.gz GCZATDZJKAXMKV-CWFSZBLJSA-N 1 0 397.906 4.430 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)C2(c3ccc(OCC(C)C)cc3)CCC2)CC1 ZINC000461218057 823600574 /nfs/dbraw/zinc/60/05/74/823600574.db2.gz NXDZSDSEPFKWSO-UHFFFAOYSA-N 1 0 386.580 4.381 20 0 GIADRO CSc1ccccc1NC(=O)CC[NH2+][C@H](CCO)c1ccc(Cl)cc1 ZINC000411737542 823601168 /nfs/dbraw/zinc/60/11/68/823601168.db2.gz IKHBJAUMMZQLRW-MRXNPFEDSA-N 1 0 378.925 4.104 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CCC(=O)NCc2ccccc2Cl)c(C)c1OC ZINC000411741890 823601377 /nfs/dbraw/zinc/60/13/77/823601377.db2.gz QECPYONGXSIJNU-OAHLLOKOSA-N 1 0 390.911 4.023 20 0 GIADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000411741278 823601415 /nfs/dbraw/zinc/60/14/15/823601415.db2.gz ZKXYGTDTLAJGQM-WBVHZDCISA-N 1 0 386.458 4.000 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)c2ccccc2Nc2ccc(OC)cc2)CC1 ZINC000461228009 823601613 /nfs/dbraw/zinc/60/16/13/823601613.db2.gz AMVLDABKLLCSOT-UHFFFAOYSA-N 1 0 381.520 4.291 20 0 GIADRO C[N@@H+]1CCCC[C@H]1CCC(=O)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000461237706 823602431 /nfs/dbraw/zinc/60/24/31/823602431.db2.gz OWOJUVYINXKLOR-HNNXBMFYSA-N 1 0 380.414 4.094 20 0 GIADRO COc1ccc(NC(=O)CC[NH2+][C@H](C)[C@H]2OCCc3sccc32)cc1Cl ZINC000411761249 823603120 /nfs/dbraw/zinc/60/31/20/823603120.db2.gz USVUVDGVCUPCOE-CWTRNNRKSA-N 1 0 394.924 4.031 20 0 GIADRO CCOc1cccc(CNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000061551092 823603134 /nfs/dbraw/zinc/60/31/34/823603134.db2.gz GKZOJWRUFBHMJF-UHFFFAOYSA-N 1 0 381.520 4.071 20 0 GIADRO COc1ccc(Br)cc1CNCCC[N@H+](C)Cc1ccccc1 ZINC000061556849 823603615 /nfs/dbraw/zinc/60/36/15/823603615.db2.gz DUTBBOPSPJSCRB-UHFFFAOYSA-N 1 0 377.326 4.069 20 0 GIADRO CCCc1cc(N2CCC(NC(=O)c3ccoc3C)CC2)c2ccccc2[nH+]1 ZINC000124528660 823603899 /nfs/dbraw/zinc/60/38/99/823603899.db2.gz BOGFIQWYBQRQJO-UHFFFAOYSA-N 1 0 377.488 4.488 20 0 GIADRO COC(=O)c1cc(C[NH2+]C2(Cc3ccc(F)cc3Cl)CCOCC2)cs1 ZINC000411770886 823603929 /nfs/dbraw/zinc/60/39/29/823603929.db2.gz NQZJKVXFKFGJNS-UHFFFAOYSA-N 1 0 397.899 4.209 20 0 GIADRO COc1ccccc1C(C)(C)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000061566701 823604303 /nfs/dbraw/zinc/60/43/03/823604303.db2.gz NAODYEDOESVXEE-UHFFFAOYSA-N 1 0 386.561 4.063 20 0 GIADRO O=C(CC[NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1)Nc1ccccc1-c1ccccc1 ZINC000411795163 823605459 /nfs/dbraw/zinc/60/54/59/823605459.db2.gz URDDVQGUNOBIEQ-XUZZJYLKSA-N 1 0 378.516 4.069 20 0 GIADRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)Cc1cccc2cccnc21 ZINC000061596800 823605790 /nfs/dbraw/zinc/60/57/90/823605790.db2.gz DWRHDCVXNOHEGX-UHFFFAOYSA-N 1 0 391.540 4.273 20 0 GIADRO CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1csc(CC(=O)Nc2ccccc2C)n1 ZINC000411798535 823605852 /nfs/dbraw/zinc/60/58/52/823605852.db2.gz ADUBJDFETPOLBA-RTBURBONSA-N 1 0 387.549 4.070 20 0 GIADRO CN(C(=O)c1csc2ccccc12)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000124558958 823606391 /nfs/dbraw/zinc/60/63/91/823606391.db2.gz SLTUQCHQALVYAH-SFTDATJTSA-N 1 0 399.604 4.311 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)C1CC1 ZINC000061621882 823606441 /nfs/dbraw/zinc/60/64/41/823606441.db2.gz ZEGCMSQYQAOZHL-MRXNPFEDSA-N 1 0 398.359 4.116 20 0 GIADRO C[C@H]1Cc2ccccc2N1Cc1occc1C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000461259379 823606686 /nfs/dbraw/zinc/60/66/86/823606686.db2.gz BXJSEPQGHNANFN-AZUAARDMSA-N 1 0 395.547 4.177 20 0 GIADRO Brc1ccccc1-c1noc([C@@H]2CCC[N@@H+]2CCc2ccccn2)n1 ZINC000190783228 823608457 /nfs/dbraw/zinc/60/84/57/823608457.db2.gz OWZUOMBSQKUDQG-KRWDZBQOSA-N 1 0 399.292 4.274 20 0 GIADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1ccccc1SCc1cscn1 ZINC000461272320 823610003 /nfs/dbraw/zinc/61/00/03/823610003.db2.gz PHRGIHGZXCJKCD-KRWDZBQOSA-N 1 0 389.590 4.382 20 0 GIADRO O=C(CC[NH2+][C@@H](c1cccs1)C1(CO)CCC1)Nc1ccc(Cl)cc1 ZINC000411868996 823611494 /nfs/dbraw/zinc/61/14/94/823611494.db2.gz JNLNVVGZVRDTKG-SFHVURJKSA-N 1 0 378.925 4.224 20 0 GIADRO Fc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H]2CCc3n[nH]cc3C2)cc1 ZINC000124621630 823611992 /nfs/dbraw/zinc/61/19/92/823611992.db2.gz OSIXBTIDZMWNMB-FQEVSTJZSA-N 1 0 387.462 4.049 20 0 GIADRO Cc1ccc([C@H](CNC(=O)C[C@@H](c2ccc(O)cc2)C2CC2)[NH+]2CCCC2)o1 ZINC000411878679 823612105 /nfs/dbraw/zinc/61/21/05/823612105.db2.gz SUMISLXKDHVLAZ-RTWAWAEBSA-N 1 0 382.504 4.131 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)C[C@@H](c2ccc(O)cc2)C2CC2)[NH+]2CCCC2)o1 ZINC000411878677 823612142 /nfs/dbraw/zinc/61/21/42/823612142.db2.gz SUMISLXKDHVLAZ-NHCUHLMSSA-N 1 0 382.504 4.131 20 0 GIADRO CC[C@@H]([NH2+]CC(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F)c1ccccc1 ZINC000411887894 823612940 /nfs/dbraw/zinc/61/29/40/823612940.db2.gz GQCZMULVGXQJQG-QGZVFWFLSA-N 1 0 393.409 4.343 20 0 GIADRO COC(=O)Nc1ccc(NC(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1 ZINC000061772183 823613080 /nfs/dbraw/zinc/61/30/80/823613080.db2.gz JJAQPAJJOFXJPC-FQEVSTJZSA-N 1 0 396.491 4.132 20 0 GIADRO O=C(c1ccco1)N1CCC([NH2+][C@@H](c2cccc(Cl)c2)c2ccccn2)CC1 ZINC000124641474 823613483 /nfs/dbraw/zinc/61/34/83/823613483.db2.gz ADRDWOFGHHZGEI-NRFANRHFSA-N 1 0 395.890 4.312 20 0 GIADRO CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@@H](C)C(=O)Nc1cccc(Cl)c1Cl ZINC000411892702 823613512 /nfs/dbraw/zinc/61/35/12/823613512.db2.gz LAFWRWICVVACAO-LSKLOWJMSA-N 1 0 379.287 4.222 20 0 GIADRO CCC(CC)(CNC(=O)c1ccc(C[NH+](C)C)cc1)c1ccc(OC)c(OC)c1 ZINC000461299831 823613790 /nfs/dbraw/zinc/61/37/90/823613790.db2.gz WHCJWTMAGUEXNP-UHFFFAOYSA-N 1 0 398.547 4.253 20 0 GIADRO Cc1cc(-n2cccn2)ccc1NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000190834142 823614434 /nfs/dbraw/zinc/61/44/34/823614434.db2.gz FRLQYXZTOBWJFR-VQTJNVASSA-N 1 0 395.551 4.299 20 0 GIADRO C[C@@H](Cc1ccsc1)NC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000061791223 823614639 /nfs/dbraw/zinc/61/46/39/823614639.db2.gz YNWJGCSWUROJON-INIZCTEOSA-N 1 0 389.590 4.092 20 0 GIADRO O[C@H]1C[C@@H](c2ccccc2)[N@H+](Cc2ccc(OCc3ccccc3F)nc2)C1 ZINC000411930723 823614797 /nfs/dbraw/zinc/61/47/97/823614797.db2.gz ZNOSGLPFELCLTG-UNMCSNQZSA-N 1 0 378.447 4.108 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)Nc2cc(Cl)c(N)c(Cl)c2)c1 ZINC000190843319 823615557 /nfs/dbraw/zinc/61/55/57/823615557.db2.gz PHEUPWZXVDCZIK-UHFFFAOYSA-N 1 0 381.307 4.349 20 0 GIADRO 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 ZINC000411943473 823615626 /nfs/dbraw/zinc/61/56/26/823615626.db2.gz QQWUTZUNNKZPLC-GHMZBOCLSA-N 1 0 382.348 4.195 20 0 GIADRO c1csc(Cn2c(-c3ccoc3)nnc2N2CCC[N@@H+](C3CCCC3)CC2)c1 ZINC000461313830 823615976 /nfs/dbraw/zinc/61/59/76/823615976.db2.gz FXLOLZCYYHRDRF-UHFFFAOYSA-N 1 0 397.548 4.103 20 0 GIADRO COc1ccc(-c2nc(C[NH2+][C@H](C)[C@@](C)(OC)C3CC3)cs2)c(OC)c1 ZINC000411958217 823616765 /nfs/dbraw/zinc/61/67/65/823616765.db2.gz XBWLDWQDUMDROC-ZUOKHONESA-N 1 0 376.522 4.121 20 0 GIADRO CO[C@@](C)([C@@H](C)[NH2+]CC(=O)N(C)C(c1ccccc1)c1ccccc1)C1CC1 ZINC000411961386 823616842 /nfs/dbraw/zinc/61/68/42/823616842.db2.gz ZWGJVEDTPBFOBC-KOSHJBKYSA-N 1 0 380.532 4.028 20 0 GIADRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H]2C[C@]2(F)c2ccccc2)CC1 ZINC000411962722 823616964 /nfs/dbraw/zinc/61/69/64/823616964.db2.gz VDJMEZBZCMZFBQ-VWNXMTODSA-N 1 0 380.507 4.242 20 0 GIADRO CO[C@](C)([C@@H](C)[NH2+]Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C1CC1 ZINC000411970296 823616989 /nfs/dbraw/zinc/61/69/89/823616989.db2.gz MYUZKUPEANZYFJ-LRTDBIEQSA-N 1 0 383.517 4.357 20 0 GIADRO CO[C@@](C)([C@@H](C)[NH2+]CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)C1CC1 ZINC000411972737 823617279 /nfs/dbraw/zinc/61/72/79/823617279.db2.gz QMMWOMGHVSBAOG-AVIJNYRZSA-N 1 0 398.572 4.015 20 0 GIADRO CO[C@](C)([C@H](C)[NH2+]CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C1CC1 ZINC000411978001 823617374 /nfs/dbraw/zinc/61/73/74/823617374.db2.gz YLNHMGWNLSNLPN-MGPLVRAMSA-N 1 0 378.822 4.091 20 0 GIADRO Cc1csc(C(=O)NCCC[N@@H+](C)Cc2ccccc2)c1Br ZINC000190861760 823617434 /nfs/dbraw/zinc/61/74/34/823617434.db2.gz SPLXPIXUFKNFLI-UHFFFAOYSA-N 1 0 381.339 4.071 20 0 GIADRO Cc1cccc([C@H](NC(=O)NCc2ccc(C[NH+](C)C)cc2)c2ccccn2)c1 ZINC000124702623 823618984 /nfs/dbraw/zinc/61/89/84/823618984.db2.gz GOIGGLOKWYILGI-QHCPKHFHSA-N 1 0 388.515 4.040 20 0 GIADRO Cc1cc(C)c(Br)c(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c1 ZINC000461332584 823619050 /nfs/dbraw/zinc/61/90/50/823619050.db2.gz KZPZAWHBAVTIOB-IEBWSBKVSA-N 1 0 387.321 4.241 20 0 GIADRO Cc1cc(F)c(Br)cc1NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000190883541 823619531 /nfs/dbraw/zinc/61/95/31/823619531.db2.gz ROUMVOJBKZHRBP-UHFFFAOYSA-N 1 0 386.309 4.281 20 0 GIADRO CCCc1ccc([C@@H](NC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)C(C)C)cc1 ZINC000061966912 823620310 /nfs/dbraw/zinc/62/03/10/823620310.db2.gz BBAXSNOKWNPYLH-QFIPXVFZSA-N 1 0 395.547 4.153 20 0 GIADRO Cc1nc(CSc2ccccc2C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cs1 ZINC000124715044 823620346 /nfs/dbraw/zinc/62/03/46/823620346.db2.gz IKXHOICBCTXZGB-PBHICJAKSA-N 1 0 389.590 4.299 20 0 GIADRO CC(C)(CN1CCOCC1)[NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000412003631 823621115 /nfs/dbraw/zinc/62/11/15/823621115.db2.gz QNWGOVHZJDXYQD-UHFFFAOYSA-N 1 0 399.482 4.029 20 0 GIADRO Cn1ncc(C[NH2+][C@H](c2ccccc2)C2(CO)CCCCC2)c1C(F)(F)F ZINC000412007405 823621864 /nfs/dbraw/zinc/62/18/64/823621864.db2.gz JAVSCJQSMUBKRW-QGZVFWFLSA-N 1 0 381.442 4.213 20 0 GIADRO OCC1([C@@H]([NH2+]Cc2sccc2Br)c2ccccc2)CCOCC1 ZINC000412009561 823622066 /nfs/dbraw/zinc/62/20/66/823622066.db2.gz JRCBJHLOYMLVGJ-KRWDZBQOSA-N 1 0 396.350 4.131 20 0 GIADRO CO[C@H](C[NH2+][C@@H](c1ccccc1)C1(CO)CCOCC1)c1ccc(Cl)cc1 ZINC000412010807 823622428 /nfs/dbraw/zinc/62/24/28/823622428.db2.gz MMJPYWVHVORQFR-RTWAWAEBSA-N 1 0 389.923 4.148 20 0 GIADRO OCC1([C@@H]([NH2+]CC2CCC(C(F)(F)F)CC2)c2ccccc2)CCOCC1 ZINC000412010875 823622457 /nfs/dbraw/zinc/62/24/57/823622457.db2.gz MWRKHNKLYLQQAS-KVZIAJEVSA-N 1 0 385.470 4.475 20 0 GIADRO CCN(C)c1ccc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)cn1 ZINC000190910033 823623100 /nfs/dbraw/zinc/62/31/00/823623100.db2.gz RHTGBYLDKVOTSH-UHFFFAOYSA-N 1 0 398.514 4.075 20 0 GIADRO Cc1c(F)cccc1NC(=O)CC[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412016938 823623116 /nfs/dbraw/zinc/62/31/16/823623116.db2.gz WYZGYBIACOEGDH-QFIPXVFZSA-N 1 0 382.479 4.316 20 0 GIADRO C[N@H+](CCCNC(=O)C(=O)Nc1ccccc1-c1ccccc1)C1CCCCC1 ZINC000062127866 823623294 /nfs/dbraw/zinc/62/32/94/823623294.db2.gz LBRRQKWYQJTMKJ-UHFFFAOYSA-N 1 0 393.531 4.063 20 0 GIADRO O=C(Nc1ncc(Cc2cccc(Cl)c2)s1)NC1CC[NH+](C2CC2)CC1 ZINC000124757279 823623778 /nfs/dbraw/zinc/62/37/78/823623778.db2.gz JONAVALHSYHCNO-UHFFFAOYSA-N 1 0 390.940 4.136 20 0 GIADRO O=C(NCCCC1CCCCC1)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000062197942 823623949 /nfs/dbraw/zinc/62/39/49/823623949.db2.gz LWYHXGJJOHHBBJ-UHFFFAOYSA-N 1 0 385.552 4.088 20 0 GIADRO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccc(F)cc3)cc2)CC1 ZINC000412060443 823624976 /nfs/dbraw/zinc/62/49/76/823624976.db2.gz ZYALASKNSIMHGV-JOCHJYFZSA-N 1 0 396.506 4.382 20 0 GIADRO O=C(CCSc1ccc(F)cc1)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000062231358 823625328 /nfs/dbraw/zinc/62/53/28/823625328.db2.gz HUEYDVOBUXARSO-LJQANCHMSA-N 1 0 386.536 4.336 20 0 GIADRO CC[NH+](CC)CCOc1ccc(NC(=O)N[C@@H]2CCOC3(CCCC3)C2)cc1 ZINC000124778139 823625568 /nfs/dbraw/zinc/62/55/68/823625568.db2.gz LDRGDOIVBRNEHT-LJQANCHMSA-N 1 0 389.540 4.021 20 0 GIADRO CC[C@@H]1CN(c2ccccc2)CC[N@@H+]1Cc1ccc(OCc2nccn2C)cc1 ZINC000461376560 823625581 /nfs/dbraw/zinc/62/55/81/823625581.db2.gz IBNZEIRPWWAHIA-OAQYLSRUSA-N 1 0 390.531 4.100 20 0 GIADRO Cc1ccc(Br)cc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000124778614 823625613 /nfs/dbraw/zinc/62/56/13/823625613.db2.gz UKWQJQHOBJTMIC-UHFFFAOYSA-N 1 0 387.321 4.152 20 0 GIADRO C[C@H](c1nc(-c2cccnc2)no1)[N@@H+]1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC000412078741 823625931 /nfs/dbraw/zinc/62/59/31/823625931.db2.gz UUASAZDYAZLBSZ-HZPDHXFCSA-N 1 0 386.496 4.027 20 0 GIADRO COCCn1cc(C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)c2ccccc21 ZINC000062245611 823626061 /nfs/dbraw/zinc/62/60/61/823626061.db2.gz OEBFDIYTXLHSRF-UHFFFAOYSA-N 1 0 397.563 4.016 20 0 GIADRO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H]1CCO[C@H]1c1ccccc1 ZINC000412093985 823626434 /nfs/dbraw/zinc/62/64/34/823626434.db2.gz KBOQIKSMVJNAFN-IWINVMIISA-N 1 0 390.527 4.076 20 0 GIADRO COCCN(CCc1ccccc1)Cc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000461383419 823627075 /nfs/dbraw/zinc/62/70/75/823627075.db2.gz DSDQIWVGMKNQAC-UHFFFAOYSA-N 1 0 397.544 4.368 20 0 GIADRO O=C(N[C@@H]1CCc2c1ccc(Cl)c2Cl)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412114096 823627320 /nfs/dbraw/zinc/62/73/20/823627320.db2.gz IWTSHJJLXXERPP-SUMWQHHRSA-N 1 0 399.387 4.314 20 0 GIADRO CC(C)CN(Cc1ccccc1F)C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412123413 823627933 /nfs/dbraw/zinc/62/79/33/823627933.db2.gz JFGJTLIEMQIFSB-IBGZPJMESA-N 1 0 378.557 4.028 20 0 GIADRO C[C@H](C(=O)Nc1ccccc1CN(C)C(=O)c1cccs1)[NH+]1[C@H](C)CC[C@H]1C ZINC000412130406 823628646 /nfs/dbraw/zinc/62/86/46/823628646.db2.gz PNJRGYGZFXMPKY-BRWVUGGUSA-N 1 0 399.560 4.220 20 0 GIADRO C[C@@H](C(=O)Nc1ccccc1CN(C)C(=O)c1cccs1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000412130403 823628710 /nfs/dbraw/zinc/62/87/10/823628710.db2.gz PNJRGYGZFXMPKY-BBWFWOEESA-N 1 0 399.560 4.220 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+]CC(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1 ZINC000124839889 823630029 /nfs/dbraw/zinc/63/00/29/823630029.db2.gz CCVUGJOLKRHJIE-MRXNPFEDSA-N 1 0 392.503 4.177 20 0 GIADRO O=C(Nc1ccc(OC2CCCC2)c(F)c1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412144973 823630109 /nfs/dbraw/zinc/63/01/09/823630109.db2.gz HWKVPOQDYLCCFL-KRWDZBQOSA-N 1 0 392.540 4.303 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000062373103 823630357 /nfs/dbraw/zinc/63/03/57/823630357.db2.gz NBXYZPGMQDLAAD-UHFFFAOYSA-N 1 0 385.817 4.353 20 0 GIADRO CC(C)(CNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)c1c(F)cccc1Cl ZINC000412150992 823630645 /nfs/dbraw/zinc/63/06/45/823630645.db2.gz SNFRIFPMMPOZIY-OAHLLOKOSA-N 1 0 398.975 4.090 20 0 GIADRO C[C@@H]1C[C@@H]1[C@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)c1ccc(Cl)cc1 ZINC000412149863 823630774 /nfs/dbraw/zinc/63/07/74/823630774.db2.gz WNAOVBZYKRSXHP-PPRPKMEESA-N 1 0 392.996 4.371 20 0 GIADRO O[C@@H](C[NH2+]Cc1ccccc1Oc1ccc(F)cc1Cl)COCC1CC1 ZINC000461409613 823630914 /nfs/dbraw/zinc/63/09/14/823630914.db2.gz XOCJONRGTYZWMC-KRWDZBQOSA-N 1 0 379.859 4.149 20 0 GIADRO CCCOc1ccccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000062376788 823630994 /nfs/dbraw/zinc/63/09/94/823630994.db2.gz XOBLKBUNWFHGRB-UHFFFAOYSA-N 1 0 391.462 4.349 20 0 GIADRO CO[C@]1(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(C)c(C)c2)CCOC1 ZINC000461409709 823631075 /nfs/dbraw/zinc/63/10/75/823631075.db2.gz FOGKUXVLSQZMHZ-DEOSSOPVSA-N 1 0 391.515 4.051 20 0 GIADRO C[C@H]1CCN(C(=O)C[C@@H](c2ccc(O)cc2)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000412155870 823631253 /nfs/dbraw/zinc/63/12/53/823631253.db2.gz KDPVMGMFVPRMKK-YADARESESA-N 1 0 392.543 4.399 20 0 GIADRO CC(C)Cn1ncc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c1C(F)F ZINC000124852168 823631262 /nfs/dbraw/zinc/63/12/62/823631262.db2.gz QFDORAZXKQOXIN-GOSISDBHSA-N 1 0 390.478 4.044 20 0 GIADRO O=C([C@@H]1C[C@H]1c1cccc(O)c1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000412158847 823631429 /nfs/dbraw/zinc/63/14/29/823631429.db2.gz NDPWPWSAXZLUEN-JBRSBNLGSA-N 1 0 390.527 4.010 20 0 GIADRO C[NH+](C)C[C@@H]1CCN(C(=O)Nc2ccc(-c3ccc(Cl)cc3Cl)nc2)C1 ZINC000190965861 823631769 /nfs/dbraw/zinc/63/17/69/823631769.db2.gz BKUWUZWLDBLOSX-ZDUSSCGKSA-N 1 0 393.318 4.471 20 0 GIADRO CC(C)Cn1ncc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c1C(F)F ZINC000124864238 823632147 /nfs/dbraw/zinc/63/21/47/823632147.db2.gz DLXMRIWVESOLDA-HNNXBMFYSA-N 1 0 396.507 4.105 20 0 GIADRO C[C@@H]1CN(c2ccc(NC3CC[NH+](Cc4ccccc4)CC3)cc2)C[C@H](C)O1 ZINC000124867187 823632503 /nfs/dbraw/zinc/63/25/03/823632503.db2.gz BTGQBJIPJPSIBI-BGYRXZFFSA-N 1 0 379.548 4.377 20 0 GIADRO O=C(Cc1cccc(C(F)F)c1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461420528 823632668 /nfs/dbraw/zinc/63/26/68/823632668.db2.gz BCKYDMWGJKWUFU-NHCUHLMSSA-N 1 0 384.470 4.147 20 0 GIADRO O=C(N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)C1(Cc2ccc(F)cc2)CC1 ZINC000461420589 823632807 /nfs/dbraw/zinc/63/28/07/823632807.db2.gz BHPYQXTYYGFNDK-YADHBBJMSA-N 1 0 392.518 4.129 20 0 GIADRO COC(=O)Nc1cccc(NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)c1 ZINC000062400624 823632823 /nfs/dbraw/zinc/63/28/23/823632823.db2.gz GSTUXVPDWDKBJI-UHFFFAOYSA-N 1 0 388.512 4.031 20 0 GIADRO CCOc1cc(C)ccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000062401265 823632863 /nfs/dbraw/zinc/63/28/63/823632863.db2.gz ZJJIOPBKZQVNAT-UHFFFAOYSA-N 1 0 391.462 4.268 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@@H]1CCO[C@H]1c1ccccc1 ZINC000190974292 823632965 /nfs/dbraw/zinc/63/29/65/823632965.db2.gz JUPBJCOGADATLY-GOTSBHOMSA-N 1 0 395.547 4.058 20 0 GIADRO COc1ccc([C@H](C)CC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000461421290 823632960 /nfs/dbraw/zinc/63/29/60/823632960.db2.gz HFWYHDGPWLBACF-PTUXOGIPSA-N 1 0 392.543 4.169 20 0 GIADRO CCCOc1cccc(CC(=O)Nc2ccccc2NC2CC[NH+](C)CC2)c1 ZINC000124874445 823633044 /nfs/dbraw/zinc/63/30/44/823633044.db2.gz XOMIVPYSWJTUMR-UHFFFAOYSA-N 1 0 381.520 4.163 20 0 GIADRO Cc1ccc(CCC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c(C)c1 ZINC000461424321 823633656 /nfs/dbraw/zinc/63/36/56/823633656.db2.gz BMNHWTIWVQYJOY-ZEQRLZLVSA-N 1 0 376.544 4.217 20 0 GIADRO O=C(CCOc1ccccc1-c1ccccc1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000461426658 823634308 /nfs/dbraw/zinc/63/43/08/823634308.db2.gz PBHQOCYPHNLKGQ-OAQYLSRUSA-N 1 0 392.543 4.457 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)N(C)[C@@H](C)c1ccco1)[NH+]1CCCCC1 ZINC000124892969 823634457 /nfs/dbraw/zinc/63/44/57/823634457.db2.gz WCDZNJWGOPKXBO-HKUYNNGSSA-N 1 0 385.508 4.218 20 0 GIADRO O=C(COc1ccc2oc3c(c2c1)CCCC3)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000461427203 823634474 /nfs/dbraw/zinc/63/44/74/823634474.db2.gz PTKMKDIKRKMUGR-SFHVURJKSA-N 1 0 396.531 4.025 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NCc1nc2ccccc2s1 ZINC000124892895 823634510 /nfs/dbraw/zinc/63/45/10/823634510.db2.gz RZWQPACGTLUXBB-KRWDZBQOSA-N 1 0 394.544 4.102 20 0 GIADRO CC(C)(C)c1ncc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000461427538 823634661 /nfs/dbraw/zinc/63/46/61/823634661.db2.gz LTZWIWBTZBUZRD-ROUUACIJSA-N 1 0 383.561 4.035 20 0 GIADRO CCN(CC)[C@H](C[NH2+]Cc1ccccc1I)c1ccco1 ZINC000062423700 823634923 /nfs/dbraw/zinc/63/49/23/823634923.db2.gz MGTIAELIXUHBEK-MRXNPFEDSA-N 1 0 398.288 4.057 20 0 GIADRO CCN(C(=O)[C@@H]1C[C@H]1c1cccc(O)c1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000412200488 823635107 /nfs/dbraw/zinc/63/51/07/823635107.db2.gz ZPTZYTVORAIEGI-RBQRNVLBSA-N 1 0 378.516 4.180 20 0 GIADRO Cc1nn(-c2cccc(Cl)c2)c(Cl)c1CNC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000062427024 823635115 /nfs/dbraw/zinc/63/51/15/823635115.db2.gz YGGYULWXLWOKSG-HNNXBMFYSA-N 1 0 381.351 4.307 20 0 GIADRO CCNC(=O)COc1cccc(C[NH2+][C@@H](C)c2ccc(OC)c3ccccc32)c1 ZINC000124901533 823635296 /nfs/dbraw/zinc/63/52/96/823635296.db2.gz STCAGRAFZFRYDE-KRWDZBQOSA-N 1 0 392.499 4.214 20 0 GIADRO O=C(c1cc2c(s1)-c1ccccc1OC2)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000461430180 823635301 /nfs/dbraw/zinc/63/53/01/823635301.db2.gz XAHVGWMJMYMKLC-MRXNPFEDSA-N 1 0 382.529 4.256 20 0 GIADRO CSc1cc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)ccc1F ZINC000461429912 823635326 /nfs/dbraw/zinc/63/53/26/823635326.db2.gz PILSTUHNQJHDSX-RBUKOAKNSA-N 1 0 384.520 4.142 20 0 GIADRO Cc1ccnc(Oc2ccc(NC(=O)N3CC[C@@H]4CC[C@H](C3)[N@@H+]4C(C)C)cc2)n1 ZINC000124903615 823635500 /nfs/dbraw/zinc/63/55/00/823635500.db2.gz HUCLWYXGYNDLGG-RBUKOAKNSA-N 1 0 395.507 4.056 20 0 GIADRO O=C(Cc1cccc(Cl)c1F)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461431172 823635678 /nfs/dbraw/zinc/63/56/78/823635678.db2.gz QWAPBHQBTHIDKP-RBUKOAKNSA-N 1 0 386.898 4.002 20 0 GIADRO CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412205822 823635767 /nfs/dbraw/zinc/63/57/67/823635767.db2.gz ZKMXIDKBZZTGPI-YADHBBJMSA-N 1 0 388.621 4.382 20 0 GIADRO C[C@@H](C[NH2+]Cc1cn(C(C)(C)C)nn1)Sc1ccc(Br)cc1 ZINC000190991005 823635792 /nfs/dbraw/zinc/63/57/92/823635792.db2.gz NVRHXYFLQMLMQN-LBPRGKRZSA-N 1 0 383.359 4.066 20 0 GIADRO COc1ccc([C@@H](CNC(=O)C[C@H](C)c2c(C)noc2C)[NH+]2CCCCC2)cc1 ZINC000124907198 823635863 /nfs/dbraw/zinc/63/58/63/823635863.db2.gz JYAIDGRALSENOE-HRAATJIYSA-N 1 0 399.535 4.137 20 0 GIADRO Cc1nc(C(C)(C)C)sc1C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461431976 823635968 /nfs/dbraw/zinc/63/59/68/823635968.db2.gz OADSLYFRTWUUES-RBUKOAKNSA-N 1 0 397.588 4.343 20 0 GIADRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1Oc1ccc(F)cc1Cl ZINC000461435478 823636710 /nfs/dbraw/zinc/63/67/10/823636710.db2.gz IZPPQIQVHATRCT-WBVHZDCISA-N 1 0 376.859 4.276 20 0 GIADRO O=C(CCc1cc(Cl)cs1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461435397 823636796 /nfs/dbraw/zinc/63/67/96/823636796.db2.gz XPYFECVGVHLLFA-QZTJIDSGSA-N 1 0 388.964 4.315 20 0 GIADRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)NCCCSc1ccccc1 ZINC000062474309 823637062 /nfs/dbraw/zinc/63/70/62/823637062.db2.gz MXGPLEXVEPOPDY-UHFFFAOYSA-N 1 0 389.540 4.081 20 0 GIADRO C[C@H](CC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)Cc1cccc(F)c1 ZINC000461436377 823637101 /nfs/dbraw/zinc/63/71/01/823637101.db2.gz BNQMGAPSZWLGDU-AJSBUHFISA-N 1 0 394.534 4.375 20 0 GIADRO CC(C)(C)Oc1ccc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000461439574 823637759 /nfs/dbraw/zinc/63/77/59/823637759.db2.gz SKYPHLJKKZYPLG-FGZHOGPDSA-N 1 0 392.543 4.458 20 0 GIADRO C[C@H](C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)c1cccc(Cl)c1 ZINC000461439777 823637826 /nfs/dbraw/zinc/63/78/26/823637826.db2.gz UWRSVSBPEVWPFW-YYWHXJBOSA-N 1 0 382.935 4.424 20 0 GIADRO O=C(c1ccc(F)c(Cl)c1F)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461439837 823637909 /nfs/dbraw/zinc/63/79/09/823637909.db2.gz VINSFUNLIIMRFC-JKSUJKDBSA-N 1 0 390.861 4.212 20 0 GIADRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)NCc1ccc(Cl)s1 ZINC000062487439 823638361 /nfs/dbraw/zinc/63/83/61/823638361.db2.gz WQWWYDHJJWKINU-UHFFFAOYSA-N 1 0 386.348 4.328 20 0 GIADRO Cc1ccsc1CNC(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000062487397 823638372 /nfs/dbraw/zinc/63/83/72/823638372.db2.gz GWOBBCBEKPAPNK-UHFFFAOYSA-N 1 0 399.482 4.349 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)Cc1cccc(C2CC2)c1 ZINC000412236238 823638474 /nfs/dbraw/zinc/63/84/74/823638474.db2.gz ZSSYAYIMSDHICC-UHFFFAOYSA-N 1 0 377.532 4.267 20 0 GIADRO COC[C@H](NC(=O)c1cccc(C[NH+]2CCCCC2)c1)c1ccc(F)c(F)c1 ZINC000412237435 823638523 /nfs/dbraw/zinc/63/85/23/823638523.db2.gz YCUQDASJVXZOSE-NRFANRHFSA-N 1 0 388.458 4.068 20 0 GIADRO COc1ccccc1[C@H](C)CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461444556 823639102 /nfs/dbraw/zinc/63/91/02/823639102.db2.gz LCGPCKLYOLYDCG-FCEUIQTBSA-N 1 0 392.543 4.169 20 0 GIADRO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000412242245 823639089 /nfs/dbraw/zinc/63/90/89/823639089.db2.gz CVQSAOVPJFEMNO-LAUBAEHRSA-N 1 0 390.568 4.139 20 0 GIADRO Cc1ccc(C2CCN(C(=O)c3cccc(C[NH+]4CCCCC4)c3)CC2)cn1 ZINC000412243038 823639234 /nfs/dbraw/zinc/63/92/34/823639234.db2.gz KNZBTDRCSJMSRO-UHFFFAOYSA-N 1 0 377.532 4.396 20 0 GIADRO O=C(c1cc2cc(Br)ccc2o1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000461450121 823640189 /nfs/dbraw/zinc/64/01/89/823640189.db2.gz SLTDPDBRMKHKET-AWEZNQCLSA-N 1 0 391.309 4.143 20 0 GIADRO C[C@H](NC(=O)C[C@@H](c1ccc(O)cc1)C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000412256415 823640411 /nfs/dbraw/zinc/64/04/11/823640411.db2.gz QXYICULVFRSXEB-JKFKMHIGSA-N 1 0 392.543 4.303 20 0 GIADRO CC(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412257312 823640537 /nfs/dbraw/zinc/64/05/37/823640537.db2.gz WSKUAYHCYDKQTQ-URVUXULASA-N 1 0 386.605 4.280 20 0 GIADRO O=C(CCc1cnc2ccccc2c1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461451821 823640528 /nfs/dbraw/zinc/64/05/28/823640528.db2.gz UAIXCMCQLYUMTJ-DNQXCXABSA-N 1 0 399.538 4.148 20 0 GIADRO O=C(c1ccccc1OCc1ccc(F)cc1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000461452538 823640541 /nfs/dbraw/zinc/64/05/41/823640541.db2.gz YHRALRGJAQAWJP-FQEVSTJZSA-N 1 0 396.506 4.353 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNc2nc(-c3cccnc3)nc(C)c2C)cc1 ZINC000461452771 823640711 /nfs/dbraw/zinc/64/07/11/823640711.db2.gz JZMVNYREZRONEM-UHFFFAOYSA-N 1 0 375.520 4.031 20 0 GIADRO O=C(COC(c1ccccc1)c1ccccc1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000461452891 823640760 /nfs/dbraw/zinc/64/07/60/823640760.db2.gz YSNNWUSQNDBPFS-NRFANRHFSA-N 1 0 392.543 4.127 20 0 GIADRO O=C([C@@H]1C[C@@H]1c1ccccc1Cl)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461453911 823640849 /nfs/dbraw/zinc/64/08/49/823640849.db2.gz HAOLFBZIZJQZAM-UGESXGAOSA-N 1 0 394.946 4.424 20 0 GIADRO Cc1cc2[nH]c(C(=O)N3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@@H]4C3)cc2c(C)c1 ZINC000461453443 823640948 /nfs/dbraw/zinc/64/09/48/823640948.db2.gz XTLUMKXZCDAKSD-LEWJYISDSA-N 1 0 387.527 4.379 20 0 GIADRO O=C(N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412262869 823641280 /nfs/dbraw/zinc/64/12/80/823641280.db2.gz YGOYCTKLVVUISL-DHIUTWEWSA-N 1 0 396.506 4.462 20 0 GIADRO O=C(Cc1coc2cc(F)ccc12)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461455649 823641316 /nfs/dbraw/zinc/64/13/16/823641316.db2.gz MDXYVLONADCOQL-UYAOXDASSA-N 1 0 392.474 4.095 20 0 GIADRO O=C(c1cc(F)c(Cl)cc1F)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461457008 823641446 /nfs/dbraw/zinc/64/14/46/823641446.db2.gz PASZGUCQQYUBQS-CVEARBPZSA-N 1 0 390.861 4.212 20 0 GIADRO COc1cc([C@H](C)[NH2+]C[C@H](O)C2CCCCC2)ccc1OCc1ccncc1 ZINC000191044124 823641618 /nfs/dbraw/zinc/64/16/18/823641618.db2.gz JNNHYTYOSAXPOF-UWJYYQICSA-N 1 0 384.520 4.261 20 0 GIADRO CC(C)(C)c1nc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cs1 ZINC000461459049 823642095 /nfs/dbraw/zinc/64/20/95/823642095.db2.gz YMNWDXGGMYQZAP-ROUUACIJSA-N 1 0 383.561 4.035 20 0 GIADRO COc1ccc(C2(C[NH2+]Cc3cn(C(C)(C)C)nn3)CCCCC2)cc1OC ZINC000191057888 823643465 /nfs/dbraw/zinc/64/34/65/823643465.db2.gz MBIKORRMWBDHEL-UHFFFAOYSA-N 1 0 386.540 4.042 20 0 GIADRO O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccc(F)c(F)c1F ZINC000461471572 823643646 /nfs/dbraw/zinc/64/36/46/823643646.db2.gz FGCYAJPHABNVRF-MRXNPFEDSA-N 1 0 376.422 4.136 20 0 GIADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1nnc(CC2CCCC2)n1Cc1cccs1 ZINC000461476748 823644534 /nfs/dbraw/zinc/64/45/34/823644534.db2.gz CAJABHWOZXNFLX-HKUYNNGSSA-N 1 0 399.608 4.184 20 0 GIADRO CCCCc1nnc(N(C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)n1Cc1cccs1 ZINC000461478225 823644834 /nfs/dbraw/zinc/64/48/34/823644834.db2.gz GTGZOJVQOYHIQN-IRXDYDNUSA-N 1 0 375.586 4.040 20 0 GIADRO O=C(N[C@@H]1C[C@H]1c1cccc2ccccc21)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412309112 823645317 /nfs/dbraw/zinc/64/53/17/823645317.db2.gz KDVSQSAENKPLKT-YUXAGFNASA-N 1 0 380.557 4.029 20 0 GIADRO CC[C@H](C)c1nnc(N(C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)n1Cc1cccs1 ZINC000461488515 823646977 /nfs/dbraw/zinc/64/69/77/823646977.db2.gz HSOIIDNJYSMRQH-ULQDDVLXSA-N 1 0 375.586 4.210 20 0 GIADRO CCC[NH+]1CCC(N(C)c2nnc([C@@H](C)CC)n2Cc2cccs2)CC1 ZINC000461488399 823647018 /nfs/dbraw/zinc/64/70/18/823647018.db2.gz ODOLHJSLHHGQHG-INIZCTEOSA-N 1 0 375.586 4.212 20 0 GIADRO Cc1ccc(-c2nnc(N3C[C@H]4CCC[N@H+]4C[C@@H]3C)n2Cc2cccs2)s1 ZINC000461488938 823647170 /nfs/dbraw/zinc/64/71/70/823647170.db2.gz IQXDQVARHVTJLB-GOEBONIOSA-N 1 0 399.589 4.098 20 0 GIADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)Cc2cccc(C3CC3)c2)c1 ZINC000412331225 823647236 /nfs/dbraw/zinc/64/72/36/823647236.db2.gz BDADXYLDFZLJPD-UHFFFAOYSA-N 1 0 379.504 4.026 20 0 GIADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccccc3)n2Cc2cccs2)CC1 ZINC000461494345 823648197 /nfs/dbraw/zinc/64/81/97/823648197.db2.gz KNGYJWSFSAGGSG-UHFFFAOYSA-N 1 0 395.576 4.366 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)CSCc1cscn1)c1ccccc1Cl ZINC000125062598 823649187 /nfs/dbraw/zinc/64/91/87/823649187.db2.gz ZSGMMDBEHIQEJL-KRWDZBQOSA-N 1 0 397.997 4.229 20 0 GIADRO Cc1csc(N2CCC([NH2+]C3CCN([C@H](C)c4ccccc4)CC3)CC2)n1 ZINC000125067915 823649627 /nfs/dbraw/zinc/64/96/27/823649627.db2.gz PZPLZXOGTSJDRQ-GOSISDBHSA-N 1 0 384.593 4.236 20 0 GIADRO CCSc1ccc([C@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccco2)cc1 ZINC000125068566 823649689 /nfs/dbraw/zinc/64/96/89/823649689.db2.gz FLMFPOBQUIPZEI-INIZCTEOSA-N 1 0 375.538 4.226 20 0 GIADRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)c1csc(Br)c1 ZINC000063080371 823650383 /nfs/dbraw/zinc/65/03/83/823650383.db2.gz VXCKEFOPLJEVOP-UHFFFAOYSA-N 1 0 393.350 4.153 20 0 GIADRO Cc1nc(C(F)(F)F)ccc1C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000063080355 823650411 /nfs/dbraw/zinc/65/04/11/823650411.db2.gz NLFBEYHMBFEZJZ-UHFFFAOYSA-N 1 0 391.437 4.051 20 0 GIADRO O=C(CSc1ccc(Cl)cc1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000063081249 823650474 /nfs/dbraw/zinc/65/04/74/823650474.db2.gz MVIXLBPALKUFND-UHFFFAOYSA-N 1 0 388.964 4.461 20 0 GIADRO O=C(CSc1ccc2c(c1)CCC2)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000063081027 823650480 /nfs/dbraw/zinc/65/04/80/823650480.db2.gz GSYOVVHCSKHBRZ-UHFFFAOYSA-N 1 0 394.584 4.296 20 0 GIADRO C[C@H](OC1CCCCCC1)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000125085466 823650770 /nfs/dbraw/zinc/65/07/70/823650770.db2.gz NCQGBHOLODITHS-SFHVURJKSA-N 1 0 387.568 4.283 20 0 GIADRO C=CCN(Cc1cccs1)C(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000063144838 823652753 /nfs/dbraw/zinc/65/27/53/823652753.db2.gz DRYINFKJCDCHGG-UHFFFAOYSA-N 1 0 385.602 4.275 20 0 GIADRO C[NH+]1CCC(NC(=S)N[C@H](c2cccs2)c2ccc3c(c2)CCCC3)CC1 ZINC000063145843 823652782 /nfs/dbraw/zinc/65/27/82/823652782.db2.gz UNDWUPUGZQBYTK-NRFANRHFSA-N 1 0 399.629 4.275 20 0 GIADRO CCCc1ccc([C@H](NC(=S)NC2CC[NH+](C)CC2)c2cccs2)cc1 ZINC000063145357 823652820 /nfs/dbraw/zinc/65/28/20/823652820.db2.gz DCSDZEUEZKPKEW-FQEVSTJZSA-N 1 0 387.618 4.348 20 0 GIADRO CCN(Cc1ccccc1C)C(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000063148340 823653025 /nfs/dbraw/zinc/65/30/25/823653025.db2.gz HNGJQSHOGNCSQP-UHFFFAOYSA-N 1 0 381.589 4.356 20 0 GIADRO Cc1cc(F)ccc1[C@H]1CCCN1C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412401752 823653531 /nfs/dbraw/zinc/65/35/31/823653531.db2.gz HUHJTWDNUXKHKU-UYAOXDASSA-N 1 0 376.541 4.015 20 0 GIADRO CCC(CC)(CNC(=O)c1cccc(C[NH+](C)C)c1)c1ccc(OC)c(OC)c1 ZINC000461528275 823654251 /nfs/dbraw/zinc/65/42/51/823654251.db2.gz ISTWIRHHVAXUNL-UHFFFAOYSA-N 1 0 398.547 4.253 20 0 GIADRO C[C@H]([NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1)c1csc(Cl)c1 ZINC000191154158 823654335 /nfs/dbraw/zinc/65/43/35/823654335.db2.gz PJICMVHSSSZCHJ-AWEZNQCLSA-N 1 0 377.941 4.155 20 0 GIADRO C[C@H](C[NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000191156116 823654520 /nfs/dbraw/zinc/65/45/20/823654520.db2.gz CEHCASZBNIVBPY-CQSZACIVSA-N 1 0 380.410 4.296 20 0 GIADRO CC[NH+](CC)CCSCC(=O)N[C@H](c1cccs1)c1ccc(C)cc1 ZINC000461532794 823654997 /nfs/dbraw/zinc/65/49/97/823654997.db2.gz LIEIWMWFRWTPMC-FQEVSTJZSA-N 1 0 376.591 4.337 20 0 GIADRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1 ZINC000461546428 823656580 /nfs/dbraw/zinc/65/65/80/823656580.db2.gz RNLCFZHIOKJELT-SFHVURJKSA-N 1 0 381.520 4.098 20 0 GIADRO COCCN(C)c1ccc(C[NH+]2CCC(c3nc4ccccc4s3)CC2)cn1 ZINC000191181394 823657137 /nfs/dbraw/zinc/65/71/37/823657137.db2.gz APGJXIMDCUSZAQ-UHFFFAOYSA-N 1 0 396.560 4.154 20 0 GIADRO C[C@H](c1ccccc1)N1CCC([NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)CC1 ZINC000125196090 823658337 /nfs/dbraw/zinc/65/83/37/823658337.db2.gz NPRKQSRCJLRDTB-RBUKOAKNSA-N 1 0 375.520 4.144 20 0 GIADRO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1ccccc1C(=O)c1ccccc1 ZINC000063273012 823658737 /nfs/dbraw/zinc/65/87/37/823658737.db2.gz NECCBYNCUAKNFK-UHFFFAOYSA-N 1 0 390.527 4.302 20 0 GIADRO CC(C)(C)[C@@H]([NH2+]CCCOc1ccc(S(C)(=O)=O)cc1)c1ccccc1 ZINC000063286780 823660045 /nfs/dbraw/zinc/66/00/45/823660045.db2.gz BBGQCONKIWBKCR-FQEVSTJZSA-N 1 0 375.534 4.236 20 0 GIADRO CC(C)[C@H](C)NC(=O)C1CC[NH+]([C@@H](C)c2cccc(Br)c2)CC1 ZINC000125221334 823660076 /nfs/dbraw/zinc/66/00/76/823660076.db2.gz GYPMJVPUKOVCTE-GJZGRUSLSA-N 1 0 381.358 4.383 20 0 GIADRO C[C@@H](CNC(=O)c1ccc(Oc2cccnc2)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000063288740 823660243 /nfs/dbraw/zinc/66/02/43/823660243.db2.gz QAGDWVFROOSLSV-SFHVURJKSA-N 1 0 387.483 4.051 20 0 GIADRO Cc1ccc(-n2nc(C(=O)Nc3ccc(C[NH+](C)C)cc3F)c3c2CCC3)cc1 ZINC000412542871 823660698 /nfs/dbraw/zinc/66/06/98/823660698.db2.gz AQQKQKAYGGBRRG-UHFFFAOYSA-N 1 0 392.478 4.122 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)c2ccc(Oc3cccnc3)cc2)cc1 ZINC000063304387 823661345 /nfs/dbraw/zinc/66/13/45/823661345.db2.gz DLDYRUNQDKTSNQ-UHFFFAOYSA-N 1 0 377.444 4.067 20 0 GIADRO COC(=O)[C@H](C)c1cccc(NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000412554210 823661760 /nfs/dbraw/zinc/66/17/60/823661760.db2.gz YJSDUEODYAIGFX-GOSISDBHSA-N 1 0 394.515 4.204 20 0 GIADRO O=C(NCc1ccc(F)cc1)C1CC[NH+](Cc2ccc(OCC3CC3)cc2)CC1 ZINC000191234184 823661796 /nfs/dbraw/zinc/66/17/96/823661796.db2.gz DRILSDBSHOSKDW-UHFFFAOYSA-N 1 0 396.506 4.143 20 0 GIADRO Cc1noc(C)c1C[NH2+]Cc1ccc(OCc2cn3cccc(C)c3n2)cc1 ZINC000063319097 823661938 /nfs/dbraw/zinc/66/19/38/823661938.db2.gz HXJVTTKQTHGVGI-UHFFFAOYSA-N 1 0 376.460 4.116 20 0 GIADRO C[NH+](C)Cc1ccc(NC(=O)C2(c3cccc(Br)c3)CC2)c(F)c1 ZINC000412562045 823662503 /nfs/dbraw/zinc/66/25/03/823662503.db2.gz VWNRQBSSJXNQNR-UHFFFAOYSA-N 1 0 391.284 4.320 20 0 GIADRO CCCc1cc(C(=O)Nc2ccc(OCC[NH+](C)C)cc2OC)sc1C ZINC000412565531 823662935 /nfs/dbraw/zinc/66/29/35/823662935.db2.gz RIDYRZYFZDLTIQ-UHFFFAOYSA-N 1 0 376.522 4.210 20 0 GIADRO O=C(OC[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2F)C1)c1csc(C2CC2)n1 ZINC000125260647 823662952 /nfs/dbraw/zinc/66/29/52/823662952.db2.gz DFDQRHOCCBQKQR-CYBMUJFWSA-N 1 0 392.471 4.368 20 0 GIADRO Cc1c([C@H](C)[NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)cnn1C(C)(C)C ZINC000191251470 823663524 /nfs/dbraw/zinc/66/35/24/823663524.db2.gz GULAJTBWHIOZAM-HNNXBMFYSA-N 1 0 378.561 4.244 20 0 GIADRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccccc2CS(=O)(=O)NC(C)C)cc1C ZINC000125271199 823663883 /nfs/dbraw/zinc/66/38/83/823663883.db2.gz OURPCEPCEVSNKM-LJQANCHMSA-N 1 0 388.577 4.290 20 0 GIADRO CC[C@@H](C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)c1ccc(F)cc1 ZINC000125282082 823664753 /nfs/dbraw/zinc/66/47/53/823664753.db2.gz JMPVFMNCXGNARR-PGRDOPGGSA-N 1 0 398.522 4.336 20 0 GIADRO FC(F)(F)c1ccc2c(c1)nccc2NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000125295001 823665697 /nfs/dbraw/zinc/66/56/97/823665697.db2.gz UIGSIBKCKZDRGO-CQSZACIVSA-N 1 0 379.426 4.166 20 0 GIADRO c1nn(-c2ccccc2)c2ncnc(N=NC3CC[NH+](C4CCCCC4)CC3)c12 ZINC000063383201 823666151 /nfs/dbraw/zinc/66/61/51/823666151.db2.gz VWXZBLHBQDXRRY-UHFFFAOYSA-N 1 0 389.507 4.012 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)Nc3ccc(C)c(C)c3)CC2)cc1 ZINC000063388462 823666310 /nfs/dbraw/zinc/66/63/10/823666310.db2.gz FOJCOCSUZLDZCC-UHFFFAOYSA-N 1 0 381.520 4.346 20 0 GIADRO CN(c1ccc(NC(=O)[C@@H](c2ccccc2)C2CC2)cc1)C1CC[NH+](C)CC1 ZINC000125308963 823666733 /nfs/dbraw/zinc/66/67/33/823666733.db2.gz LPBHMJQHEADOHY-QHCPKHFHSA-N 1 0 377.532 4.349 20 0 GIADRO CC(C)c1noc(CC[NH2+]Cc2cn(Cc3ccccc3)nc2C(C)(C)C)n1 ZINC000125310028 823666858 /nfs/dbraw/zinc/66/68/58/823666858.db2.gz RMOIFCDWEGSMNM-UHFFFAOYSA-N 1 0 381.524 4.068 20 0 GIADRO CCCC(=O)Nc1cccc(NC(=O)NC2CC[NH+](CC3CCCC3)CC2)c1 ZINC000063392257 823667131 /nfs/dbraw/zinc/66/71/31/823667131.db2.gz INLRHRHEXKLCPY-UHFFFAOYSA-N 1 0 386.540 4.201 20 0 GIADRO O=C(Nc1cccc(COCC2CC2)c1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000063394624 823667450 /nfs/dbraw/zinc/66/74/50/823667450.db2.gz FAWNHNKMBQQFJW-UHFFFAOYSA-N 1 0 385.552 4.389 20 0 GIADRO CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N2CCC([N@@H+]3CCC[C@@H]3C)CC2)c1 ZINC000125322887 823667709 /nfs/dbraw/zinc/66/77/09/823667709.db2.gz NCUCOSHQEOZOSU-HNNXBMFYSA-N 1 0 391.943 4.023 20 0 GIADRO Cc1ccc(NC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)c(-c2nc(C3CC3)no2)c1 ZINC000125327670 823668353 /nfs/dbraw/zinc/66/83/53/823668353.db2.gz LZNKKAFOPNMYDX-INIZCTEOSA-N 1 0 397.523 4.022 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@@H]2CCN(c3ccccc3OC(F)F)C2)cnn1C(C)(C)C ZINC000191294145 823668544 /nfs/dbraw/zinc/66/85/44/823668544.db2.gz XWOWYVPKZCPARL-GOEBONIOSA-N 1 0 392.494 4.477 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)N3CCC[C@@H]3C3CCCC3)CC2)cc1 ZINC000063407178 823668900 /nfs/dbraw/zinc/66/89/00/823668900.db2.gz SQLWCCWLERHSQO-HSZRJFAPSA-N 1 0 399.579 4.271 20 0 GIADRO Cc1c([C@H](C)NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)cnn1C(C)C ZINC000191300542 823669092 /nfs/dbraw/zinc/66/90/92/823669092.db2.gz GAKMQIJAEXEMAU-MOPGFXCFSA-N 1 0 384.568 4.323 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)Nc2cc(-n3cccn3)ccc2C)[NH+]2CCCC2)o1 ZINC000191303876 823669250 /nfs/dbraw/zinc/66/92/50/823669250.db2.gz VOEKRLWPAINBMO-HXUWFJFHSA-N 1 0 393.491 4.041 20 0 GIADRO CC[C@@H]([NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1)c1cnn(C)c1 ZINC000125344715 823669698 /nfs/dbraw/zinc/66/96/98/823669698.db2.gz HARWMTHOMIGBCU-LJQANCHMSA-N 1 0 380.458 4.144 20 0 GIADRO COCCN(C)c1ccc(C[NH2+][C@H](c2ccccc2)c2cccc(F)c2)cn1 ZINC000191310295 823670055 /nfs/dbraw/zinc/67/00/55/823670055.db2.gz BIJJIWVLPGLTRR-HSZRJFAPSA-N 1 0 379.479 4.183 20 0 GIADRO COCCN(C)c1ccc(C[NH2+][C@@H](c2ccccc2)c2cccc(F)c2)cn1 ZINC000191310277 823670086 /nfs/dbraw/zinc/67/00/86/823670086.db2.gz BIJJIWVLPGLTRR-QHCPKHFHSA-N 1 0 379.479 4.183 20 0 GIADRO CCCN(CCC[NH+](C)C)C(=O)Nc1ccc(OCC)cc1C(F)(F)F ZINC000191321168 823671334 /nfs/dbraw/zinc/67/13/34/823671334.db2.gz KAOSWEAIBCSRNB-UHFFFAOYSA-N 1 0 375.435 4.300 20 0 GIADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cc(NC(=O)CC(C)C)ccc1Cl ZINC000461622149 823671987 /nfs/dbraw/zinc/67/19/87/823671987.db2.gz ZCSLMSJKHMNMHN-OAHLLOKOSA-N 1 0 381.948 4.175 20 0 GIADRO CC(=O)c1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)cc1 ZINC000125383734 823672174 /nfs/dbraw/zinc/67/21/74/823672174.db2.gz PXPLIMKOYRDUIW-QWHCGFSZSA-N 1 0 376.403 4.168 20 0 GIADRO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N[C@H](c1ccccc1)C1CC1 ZINC000063464046 823673240 /nfs/dbraw/zinc/67/32/40/823673240.db2.gz BGLOVHBINPWVKB-NZQKXSOJSA-N 1 0 377.532 4.349 20 0 GIADRO O=C(NCCCSc1ccccc1)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000063464422 823673242 /nfs/dbraw/zinc/67/32/42/823673242.db2.gz YNKKSRLJQAMSHI-NRFANRHFSA-N 1 0 397.588 4.380 20 0 GIADRO CN(Cc1ccc(Cl)s1)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000063464591 823673394 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O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000412750162 823680568 /nfs/dbraw/zinc/68/05/68/823680568.db2.gz YAHRZCHZQFQLGD-HSZRJFAPSA-N 1 0 390.527 4.276 20 0 GIADRO O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CCC(Nc2ccc(F)cc2)CC1 ZINC000063583905 823681063 /nfs/dbraw/zinc/68/10/63/823681063.db2.gz GUGURYKGKZYXRI-UHFFFAOYSA-N 1 0 395.522 4.141 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)cnn1C(C)(C)C ZINC000191401926 823681306 /nfs/dbraw/zinc/68/13/06/823681306.db2.gz HQEOZNCGFUDJNB-CJMONDIMSA-N 1 0 376.495 4.321 20 0 GIADRO COC(=O)C1(c2ccccc2)CC[NH+](Cc2ccccc2Br)CC1 ZINC000063587997 823681510 /nfs/dbraw/zinc/68/15/10/823681510.db2.gz CGSGBVQBNWYVFT-UHFFFAOYSA-N 1 0 388.305 4.156 20 0 GIADRO CC[N@H+](CCC1CCN(C(=O)N[C@@H]2c3ccccc3O[C@@H]2C)CC1)CC1CC1 ZINC000461687980 823681599 /nfs/dbraw/zinc/68/15/99/823681599.db2.gz XCBGFIFMOVHLGD-VGSWGCGISA-N 1 0 385.552 4.052 20 0 GIADRO COc1cc(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc(Cl)c1OCC(C)C ZINC000461689775 823681925 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399.604 4.454 20 0 GIADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1nc2ccccc2cc1Br ZINC000574320252 823702192 /nfs/dbraw/zinc/70/21/92/823702192.db2.gz LVUZFQODKHAHMV-CQSZACIVSA-N 1 0 392.341 4.238 20 0 GIADRO C[C@H](N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000574323503 823702804 /nfs/dbraw/zinc/70/28/04/823702804.db2.gz WRBKJLVFFCJNKW-KYNGSXCRSA-N 1 0 382.895 4.486 20 0 GIADRO CSc1cc(C)ccc1CNC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000163346899 823702962 /nfs/dbraw/zinc/70/29/62/823702962.db2.gz WZJBFZHDUAXRFO-UHFFFAOYSA-N 1 0 398.576 4.170 20 0 GIADRO C[C@H]([NH2+][C@H](COc1ccccc1F)C(C)(C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000163348374 823703061 /nfs/dbraw/zinc/70/30/61/823703061.db2.gz CAVXCGMHYHIEDZ-MGPUTAFESA-N 1 0 393.524 4.374 20 0 GIADRO CC1CC[NH+](C2CCC(NC(=O)NCc3nc(C(C)(C)C)cs3)CC2)CC1 ZINC000125749467 823703661 /nfs/dbraw/zinc/70/36/61/823703661.db2.gz IOWQJWBGUSJBLG-UHFFFAOYSA-N 1 0 392.613 4.283 20 0 GIADRO COc1cc(OC)cc([C@@H]([NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)c2nccn2C)c1 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382.932 4.045 20 0 GIADRO C[N@H+](Cc1cccc(Br)c1)Cc1ccc(Br)cc1N ZINC000125791261 823711557 /nfs/dbraw/zinc/71/15/57/823711557.db2.gz QNSGVGLLBDEZOM-UHFFFAOYSA-N 1 0 384.115 4.426 20 0 GIADRO C[C@](Cc1ccccc1)(NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000413127387 823711759 /nfs/dbraw/zinc/71/17/59/823711759.db2.gz VRRBPJCWUPXQNZ-AOHZBQACSA-N 1 0 377.532 4.071 20 0 GIADRO CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@@H](C)C[C@@H](C)O ZINC000125795133 823712522 /nfs/dbraw/zinc/71/25/22/823712522.db2.gz PGQNAYVUYVQRKA-LSDHHAIUSA-N 1 0 394.357 4.255 20 0 GIADRO O=C(CC[NH+]1CCC(c2ccncc2)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000191618765 823714942 /nfs/dbraw/zinc/71/49/42/823714942.db2.gz GTCADXXSTIZMGA-UHFFFAOYSA-N 1 0 377.410 4.309 20 0 GIADRO COCc1c(C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)sc2cccc(F)c21 ZINC000163496793 823715902 /nfs/dbraw/zinc/71/59/02/823715902.db2.gz CIRLPVFTOURSQB-OAHLLOKOSA-N 1 0 392.540 4.285 20 0 GIADRO CCCn1c(C(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)cc2ccccc21 ZINC000191620385 823716029 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823730644 /nfs/dbraw/zinc/73/06/44/823730644.db2.gz VVAANZACLFCOLQ-MOPGFXCFSA-N 1 0 380.532 4.435 20 0 GIADRO C[C@H](C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000413218766 823731002 /nfs/dbraw/zinc/73/10/02/823731002.db2.gz BKWIXKVNNVKVBI-DLTWYDFYSA-N 1 0 380.916 4.098 20 0 GIADRO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[NH2+]C[C@@H]1CCOC1 ZINC000163642528 823731357 /nfs/dbraw/zinc/73/13/57/823731357.db2.gz PKGDERFIAHBQSA-KRWDZBQOSA-N 1 0 381.451 4.238 20 0 GIADRO COCC[N@H+](CCc1nc(-c2ccc(Cl)cc2)no1)CCc1ccccc1 ZINC000574443109 823731677 /nfs/dbraw/zinc/73/16/77/823731677.db2.gz PZRHDQTVTMFEMB-UHFFFAOYSA-N 1 0 385.895 4.124 20 0 GIADRO COC1CCN(CC[NH2+][C@@H](C)c2sc(-c3ccccc3F)nc2C)CC1 ZINC000163645032 823732075 /nfs/dbraw/zinc/73/20/75/823732075.db2.gz FBMBQOZYCHZCBG-AWEZNQCLSA-N 1 0 377.529 4.019 20 0 GIADRO CC(C)c1c(NC(=O)N(C)CCC[NH+](C)C)cnn1-c1ccccc1Cl ZINC000191689312 823735084 /nfs/dbraw/zinc/73/50/84/823735084.db2.gz LUCUBUCJIXTFSX-UHFFFAOYSA-N 1 0 377.920 4.065 20 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823740544 /nfs/dbraw/zinc/74/05/44/823740544.db2.gz MEOOOBLELVIOIW-HXUWFJFHSA-N 1 0 390.487 4.150 20 0 GIADRO CC[C@H](Cc1ccc(C)cc1)[NH2+][C@H](c1nccn1C)c1cc(OC)cc(OC)c1 ZINC000461892719 823741243 /nfs/dbraw/zinc/74/12/43/823741243.db2.gz YNGFMYYSGFOOQD-OFNKIYASSA-N 1 0 393.531 4.446 20 0 GIADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000163719920 823741279 /nfs/dbraw/zinc/74/12/79/823741279.db2.gz FALLPAQFCWNEML-AWEZNQCLSA-N 1 0 392.425 4.448 20 0 GIADRO COc1cc2[nH+]ccc(N[C@H](C)c3nc(C(F)(F)F)cs3)c2cc1OC ZINC000413270246 823742247 /nfs/dbraw/zinc/74/22/47/823742247.db2.gz QNFAFNBJLDNIKK-SECBINFHSA-N 1 0 383.395 4.322 20 0 GIADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1ncc(-c2ccc(Cl)cc2)s1 ZINC000413271914 823742767 /nfs/dbraw/zinc/74/27/67/823742767.db2.gz TXMZUBGTPWMUID-CQSZACIVSA-N 1 0 377.941 4.153 20 0 GIADRO CC(C)c1c(NC(=O)N(C)CC[N@H+](C)C2CC2)cnn1-c1ccc(Cl)cc1 ZINC000191708459 823743233 /nfs/dbraw/zinc/74/32/33/823743233.db2.gz OGSKJHZLRXSPPX-UHFFFAOYSA-N 1 0 389.931 4.207 20 0 GIADRO C[C@@H](Cn1ncc2ccccc21)c1nc(-c2cccc(C[NH+]3CCCC3)c2)no1 ZINC000574483992 823743489 /nfs/dbraw/zinc/74/34/89/823743489.db2.gz DQCXKZCQYLCMDN-KRWDZBQOSA-N 1 0 387.487 4.486 20 0 GIADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)Nc1ccccc1CCC(F)(F)F ZINC000125919807 823744118 /nfs/dbraw/zinc/74/41/18/823744118.db2.gz NWYQRRNJZBSVCM-GOSISDBHSA-N 1 0 393.453 4.476 20 0 GIADRO COc1cccc(C[NH2+]C[C@](C)(Cc2ccccc2)[C@H](C)O)c1OC(F)F ZINC000191711779 823744241 /nfs/dbraw/zinc/74/42/41/823744241.db2.gz JWMCURXOWLCEOX-BTYIYWSLSA-N 1 0 379.447 4.016 20 0 GIADRO Cc1ccncc1CCC[NH2+]C[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000574486329 823744532 /nfs/dbraw/zinc/74/45/32/823744532.db2.gz ZTENXAPBGVJGEM-RXVVDRJESA-N 1 0 375.919 4.398 20 0 GIADRO COc1ccc(C[NH2+]C[C@@](C)(Cc2ccccc2)[C@@H](C)O)c(Cl)c1OC ZINC000191717032 823745297 /nfs/dbraw/zinc/74/52/97/823745297.db2.gz JGHRWWJVMMDCNT-QVKFZJNVSA-N 1 0 377.912 4.077 20 0 GIADRO COc1ccc(Cc2nc(C)c([C@H](C)[NH2+][C@H](C)[C@H](C)OC)s2)cc1OC ZINC000574489999 823746018 /nfs/dbraw/zinc/74/60/18/823746018.db2.gz FYSXQLUTFJXRNN-IPYPFGDCSA-N 1 0 378.538 4.134 20 0 GIADRO Cc1cc2cc([C@@H](C)[NH2+]Cc3cccc(OCC(=O)N(C)C)c3)oc2cc1C ZINC000163777459 823748044 /nfs/dbraw/zinc/74/80/44/823748044.db2.gz YFNSQMPZYKIABW-QGZVFWFLSA-N 1 0 380.488 4.367 20 0 GIADRO CCN(Cc1ccccc1)c1ccc(C(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000125942261 823749785 /nfs/dbraw/zinc/74/97/85/823749785.db2.gz MSWYHFSGBJCKMV-UHFFFAOYSA-N 1 0 377.532 4.070 20 0 GIADRO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]Cc1cccc(OCC(=O)N(C)C)c1 ZINC000163805358 823750418 /nfs/dbraw/zinc/75/04/18/823750418.db2.gz WICWLRYFEWLIQQ-CVEARBPZSA-N 1 0 397.544 4.045 20 0 GIADRO O=C(CN1CC[NH+](CC2CCCCC2)CC1)Nc1ccccc1SC(F)F ZINC000064129730 823752372 /nfs/dbraw/zinc/75/23/72/823752372.db2.gz OSOPEOXDFZADFZ-UHFFFAOYSA-N 1 0 397.535 4.138 20 0 GIADRO C[C@H](CC(=O)N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000574516737 823754141 /nfs/dbraw/zinc/75/41/41/823754141.db2.gz SOMBIDJFLOKHTP-FXRXJOCMSA-N 1 0 382.470 4.484 20 0 GIADRO CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000413332874 823754523 /nfs/dbraw/zinc/75/45/23/823754523.db2.gz MOOLQZHHTFBXCZ-JOCHJYFZSA-N 1 0 381.520 4.297 20 0 GIADRO O=C1C[C@@H](C[NH2+]Cc2ccc(-c3ccccc3Br)cc2)CN1C1CC1 ZINC000574525682 823755055 /nfs/dbraw/zinc/75/50/55/823755055.db2.gz UCXDCBWRLDDTET-INIZCTEOSA-N 1 0 399.332 4.217 20 0 GIADRO CCN(C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C)c1ccc(OC)cc1 ZINC000574527188 823755804 /nfs/dbraw/zinc/75/58/04/823755804.db2.gz WJEQHYICJPJEEX-UHFFFAOYSA-N 1 0 396.535 4.204 20 0 GIADRO C[C@H]([NH2+]C[C@H](OCC1CC1)c1ccc(Cl)cc1)c1ccc(-n2cnnn2)cc1 ZINC000574527470 823755811 /nfs/dbraw/zinc/75/58/11/823755811.db2.gz IARXWWFNDGHYMG-BTYIYWSLSA-N 1 0 397.910 4.134 20 0 GIADRO CC(=O)NC1CCC([NH2+]Cc2csc3c2cccc3Br)CC1 ZINC000574531741 823756852 /nfs/dbraw/zinc/75/68/52/823756852.db2.gz GXGDDSMHYBLQKO-UHFFFAOYSA-N 1 0 381.339 4.201 20 0 GIADRO Cn1c2ccccc2nc1[C@H]([NH2+]C[C@H](O)CCc1ccccc1)c1ccccc1 ZINC000125987781 823760417 /nfs/dbraw/zinc/76/04/17/823760417.db2.gz NERZNQMNLIAOAH-ZJSXRUAMSA-N 1 0 385.511 4.246 20 0 GIADRO Cn1c2ccccc2nc1[C@H]([NH2+]C[C@@H](O)CCc1ccccc1)c1ccccc1 ZINC000125988205 823761021 /nfs/dbraw/zinc/76/10/21/823761021.db2.gz NERZNQMNLIAOAH-XUZZJYLKSA-N 1 0 385.511 4.246 20 0 GIADRO C[C@H](CC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)c1ccc(F)c(Br)c1 ZINC000461929459 823761138 /nfs/dbraw/zinc/76/11/38/823761138.db2.gz UDJZDPRUCVVVCT-GDBMZVCRSA-N 1 0 397.332 4.169 20 0 GIADRO CC[C@H](CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)CC(F)(F)F ZINC000413370050 823761357 /nfs/dbraw/zinc/76/13/57/823761357.db2.gz VKVLCAXTMFKZQU-BQFCYCMXSA-N 1 0 385.474 4.317 20 0 GIADRO C[C@@H](Oc1ccccc1NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)C(F)(F)F ZINC000574551619 823762438 /nfs/dbraw/zinc/76/24/38/823762438.db2.gz HXKILLGAKWCIER-HUUCEWRRSA-N 1 0 387.446 4.354 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1nnc(-c2cc3ccccc3o2)s1 ZINC000191783135 823766940 /nfs/dbraw/zinc/76/69/40/823766940.db2.gz UGJCMEWBBWSTEE-CABCVRRESA-N 1 0 397.504 4.042 20 0 GIADRO COc1ccc(C[C@@](C)(O)C[NH2+]Cc2ccc(Cl)c(Cl)c2)cc1OC ZINC000574560431 823766939 /nfs/dbraw/zinc/76/69/39/823766939.db2.gz BIKRZZXOJGZXPK-LJQANCHMSA-N 1 0 384.303 4.094 20 0 GIADRO Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+](C)[C@H](C)c1cc2ccccc2o1 ZINC000126019623 823767892 /nfs/dbraw/zinc/76/78/92/823767892.db2.gz COOKVMZJOHETKV-QGZVFWFLSA-N 1 0 383.492 4.391 20 0 GIADRO Cc1nn2c(nc(C)cc2C)c1C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000126022053 823768385 /nfs/dbraw/zinc/76/83/85/823768385.db2.gz HLZXJHWJOPYJAC-HNNXBMFYSA-N 1 0 391.519 4.139 20 0 GIADRO C[C@H](CNC(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000413399565 823768846 /nfs/dbraw/zinc/76/88/46/823768846.db2.gz HKWCWENGNIRVLG-LZLYRXPVSA-N 1 0 385.474 4.175 20 0 GIADRO COc1cc([C@H](C)NC2CC[NH+](CC3CC3)CC2)ccc1OCc1ccncc1 ZINC000164041345 823772553 /nfs/dbraw/zinc/77/25/53/823772553.db2.gz HTUIPHFQGKSJQN-SFHVURJKSA-N 1 0 395.547 4.194 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)N2CCC[C@H]2c2ccc(OC)cc2)c1 ZINC000064229810 823775976 /nfs/dbraw/zinc/77/59/76/823775976.db2.gz SYQDPPLKVCQTSL-QFIPXVFZSA-N 1 0 381.520 4.194 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)N2CCC(OCc3ccccc3)CC2)c1 ZINC000064229932 823776513 /nfs/dbraw/zinc/77/65/13/823776513.db2.gz KQMJYCRUFSYZPN-UHFFFAOYSA-N 1 0 395.547 4.029 20 0 GIADRO CCOCc1ccccc1CNC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000064237224 823777967 /nfs/dbraw/zinc/77/79/67/823777967.db2.gz QSKVCTGNNUHSBV-QHCPKHFHSA-N 1 0 395.547 4.168 20 0 GIADRO COc1ccc2c(c1)CCN2C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000064237827 823778333 /nfs/dbraw/zinc/77/83/33/823778333.db2.gz WRIQTTDYKJEDNI-UHFFFAOYSA-N 1 0 393.531 4.344 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)N(Cc1ccccn1)C1CC1 ZINC000064237933 823778407 /nfs/dbraw/zinc/77/84/07/823778407.db2.gz FAASNHKNPPKMLS-UHFFFAOYSA-N 1 0 392.547 4.332 20 0 GIADRO Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)cc(C)c1O ZINC000574606714 823778502 /nfs/dbraw/zinc/77/85/02/823778502.db2.gz ODMOYGYMZCPDEM-LJQANCHMSA-N 1 0 378.472 4.150 20 0 GIADRO C/C(=C/c1ccccc1OC(F)F)C[NH2+][C@H]1CCO[C@@H]1c1c(C)nn(C)c1C ZINC000574609138 823780161 /nfs/dbraw/zinc/78/01/61/823780161.db2.gz RUAOSXBEEYHGJS-ONFOPSJQSA-N 1 0 391.462 4.161 20 0 GIADRO C[N@H+](Cc1ccc(OCc2ccc(F)cc2)cc1)Cc1cccc(C(N)=O)c1 ZINC000064247403 823780382 /nfs/dbraw/zinc/78/03/82/823780382.db2.gz QGPKYQHAWXBJHU-UHFFFAOYSA-N 1 0 378.447 4.136 20 0 GIADRO CC(C)[C@H](C[NH2+][C@H](C)c1ccc(OCc2nccn2C)cc1)c1cccnc1 ZINC000164143240 823781043 /nfs/dbraw/zinc/78/10/43/823781043.db2.gz QLKBTOXNDQCNQL-GCJKJVERSA-N 1 0 378.520 4.485 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@@H](C)c2cc(C)sc2C)c1 ZINC000126082316 823782474 /nfs/dbraw/zinc/78/24/74/823782474.db2.gz LSWAPQGUWUPOKR-JSGCOSHPSA-N 1 0 376.522 4.450 20 0 GIADRO CC[C@@H](c1ccncc1)N(C)C(=O)NCC1CC[NH+](Cc2ccccc2F)CC1 ZINC000126083513 823782770 /nfs/dbraw/zinc/78/27/70/823782770.db2.gz OZFJFLCEURSWJC-QFIPXVFZSA-N 1 0 398.526 4.225 20 0 GIADRO O=C(Nc1cc(Cl)ccc1O)C1CC[NH+]([C@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000574617648 823783137 /nfs/dbraw/zinc/78/31/37/823783137.db2.gz IBDCTVJEJSUHPN-HKUYNNGSSA-N 1 0 388.870 4.391 20 0 GIADRO 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 823783174 /nfs/dbraw/zinc/78/31/74/823783174.db2.gz DCWJFLQHPNBQGX-LVQVYYBASA-N 1 0 385.474 4.322 20 0 GIADRO Cc1c2ccccc2oc1[C@H](C)NC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000461991052 823786017 /nfs/dbraw/zinc/78/60/17/823786017.db2.gz QZZIKGSGGLCGTC-IBGZPJMESA-N 1 0 391.515 4.131 20 0 GIADRO Cc1ccc(NC(=O)[C@@H]2CC(C)(C)Oc3ccccc32)c(OCC[NH+](C)C)c1 ZINC000413490050 823787035 /nfs/dbraw/zinc/78/70/35/823787035.db2.gz HYTKNQIIDYOUOP-GOSISDBHSA-N 1 0 382.504 4.219 20 0 GIADRO Cc1ccc(-c2nc(CC(=O)Nc3nc(C4CC[NH2+]CC4)cs3)cs2)cc1 ZINC000574636814 823787368 /nfs/dbraw/zinc/78/73/68/823787368.db2.gz DBVOUZQIWLEIJE-UHFFFAOYSA-N 1 0 398.557 4.223 20 0 GIADRO C[C@@H](CNC(=O)CCSc1nc2ccccc2s1)C[NH+]1CCCCC1 ZINC000064301130 823787789 /nfs/dbraw/zinc/78/77/89/823787789.db2.gz YFYZVLYOTSSWAR-HNNXBMFYSA-N 1 0 377.579 4.017 20 0 GIADRO Cc1cc(NC(=O)c2ccccc2OCC[NH+](C)C)ccc1Oc1cccnc1 ZINC000064313633 823789651 /nfs/dbraw/zinc/78/96/51/823789651.db2.gz CHUBLTKHXNRTIK-UHFFFAOYSA-N 1 0 391.471 4.375 20 0 GIADRO C[C@@H](NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc2ccccc2n1 ZINC000191834047 823790277 /nfs/dbraw/zinc/79/02/77/823790277.db2.gz NKNNWDMYZDAUIT-DENIHFKCSA-N 1 0 375.516 4.177 20 0 GIADRO CN(Cc1ccccc1)C(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000064316609 823790315 /nfs/dbraw/zinc/79/03/15/823790315.db2.gz AFZWXYRLAKKZST-FQEVSTJZSA-N 1 0 376.422 4.100 20 0 GIADRO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2nccn2CCc2ccccc2)c(C)c1 ZINC000164271860 823791530 /nfs/dbraw/zinc/79/15/30/823791530.db2.gz MYTKYJYMARXTDW-HXUWFJFHSA-N 1 0 390.531 4.250 20 0 GIADRO C[C@H](c1ccccc1F)N1CCC[C@@H]([NH2+]Cc2cccc3cccnc32)C1=O ZINC000574655370 823792260 /nfs/dbraw/zinc/79/22/60/823792260.db2.gz VBVYQDYKNMAQNO-IIBYNOLFSA-N 1 0 377.463 4.216 20 0 GIADRO CCOc1ccccc1Oc1ccccc1C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000164285563 823792584 /nfs/dbraw/zinc/79/25/84/823792584.db2.gz DQTRZQSVIRPAKL-AZUAARDMSA-N 1 0 394.515 4.434 20 0 GIADRO CC(C)[NH+]1CCC(C(=O)Nc2ccc(C(=O)N3CCCCC3)c(Cl)c2)CC1 ZINC000462010079 823793332 /nfs/dbraw/zinc/79/33/32/823793332.db2.gz XRQBSCHASDOFFE-UHFFFAOYSA-N 1 0 391.943 4.025 20 0 GIADRO CCc1onc(-c2ccccc2)c1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000574666371 823795131 /nfs/dbraw/zinc/79/51/31/823795131.db2.gz DUVSXEURTSFYDD-YLJYHZDGSA-N 1 0 389.499 4.297 20 0 GIADRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000462014753 823795216 /nfs/dbraw/zinc/79/52/16/823795216.db2.gz MCQDPUGZVMYWDL-AWEZNQCLSA-N 1 0 392.931 4.099 20 0 GIADRO O=C1Nc2ccccc2C12CCC([NH2+]C[C@@H]1CCO[C@H]1c1ccccc1)CC2 ZINC000191857346 823797248 /nfs/dbraw/zinc/79/72/48/823797248.db2.gz BFKYGPWXFWQNOL-UOQYLCBWSA-N 1 0 376.500 4.187 20 0 GIADRO COc1ccccc1CN(Cc1cccs1)C(=O)C1CC[NH+](C(C)C)CC1 ZINC000462021131 823797290 /nfs/dbraw/zinc/79/72/90/823797290.db2.gz BTDJJVUWWINMMI-UHFFFAOYSA-N 1 0 386.561 4.406 20 0 GIADRO C[C@@H]1CN(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)C[C@H](c2ccsc2)O1 ZINC000164348940 823797910 /nfs/dbraw/zinc/79/79/10/823797910.db2.gz WPCYAYGKRYVABZ-DYESRHJHSA-N 1 0 399.560 4.016 20 0 GIADRO C[C@@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccccc1)c1ccc(OCc2nccn2C)cc1 ZINC000191863936 823798576 /nfs/dbraw/zinc/79/85/76/823798576.db2.gz GSBXVZBGQBMYBM-ZHRMCQFGSA-N 1 0 391.515 4.428 20 0 GIADRO Cc1nc(CC2CC2)sc1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000191862553 823798682 /nfs/dbraw/zinc/79/86/82/823798682.db2.gz UQMFWYPCMJLHQF-YJBOKZPZSA-N 1 0 389.590 4.278 20 0 GIADRO CC[N@H+](CC(=O)NCc1ccccc1COC)[C@@H](C)c1cc2ccccc2o1 ZINC000064349402 823798645 /nfs/dbraw/zinc/79/86/45/823798645.db2.gz PAOJBSZWMQGEQV-KRWDZBQOSA-N 1 0 380.488 4.279 20 0 GIADRO C[C@H]([NH2+]C[C@]1(CO)C[C@H]1c1ccccc1)c1ccc(Br)c(F)c1 ZINC000574680226 823799267 /nfs/dbraw/zinc/79/92/67/823799267.db2.gz ZBLDRKYPJUSNJQ-AXHNFQJDSA-N 1 0 378.285 4.405 20 0 GIADRO Cc1cc(N2CCC[C@H](N3CCCC3=O)CC2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000413573850 823799486 /nfs/dbraw/zinc/79/94/86/823799486.db2.gz TWOHMUALKJILAV-HNNXBMFYSA-N 1 0 389.446 4.126 20 0 GIADRO COc1ccc(NC(=O)C[C@H](C)[NH2+]CCc2c[nH]c3c2cccc3C)c(OC)c1 ZINC000164405088 823801278 /nfs/dbraw/zinc/80/12/78/823801278.db2.gz AQMZMJQJSLMHGC-INIZCTEOSA-N 1 0 395.503 4.043 20 0 GIADRO Cc1cccc([C@@H]2CCCN2C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)n1 ZINC000126159604 823802455 /nfs/dbraw/zinc/80/24/55/823802455.db2.gz FEGLFJYCIYJBJS-XXBNENTESA-N 1 0 392.547 4.462 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc3c(c2)ncn3-c2cc(C)ccc2C)C1 ZINC000191881320 823802418 /nfs/dbraw/zinc/80/24/18/823802418.db2.gz CHNUAELSDPEIGS-LJQANCHMSA-N 1 0 390.531 4.056 20 0 GIADRO [NH3+]CCCCCCC(=O)Nc1ccc(Cl)c(-c2nnc3n2CCCCC3)c1 ZINC000164434060 823802662 /nfs/dbraw/zinc/80/26/62/823802662.db2.gz KDYZNQCGMZIFSB-UHFFFAOYSA-N 1 0 389.931 4.173 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CCc2c[nH]c3c2cccc3C)cc1 ZINC000164431670 823802809 /nfs/dbraw/zinc/80/28/09/823802809.db2.gz QFSBLNHBPJQFBP-INIZCTEOSA-N 1 0 385.533 4.131 20 0 GIADRO CCCC[NH+]1CCC(N[C@H](C)c2ccc(N3CCOCC3)cc2Cl)CC1 ZINC000164451055 823803680 /nfs/dbraw/zinc/80/36/80/823803680.db2.gz XBYIUDMGOKVSBW-QGZVFWFLSA-N 1 0 379.976 4.092 20 0 GIADRO Cc1ccc(CCCC(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC000574710753 823805689 /nfs/dbraw/zinc/80/56/89/823805689.db2.gz NZCSCZAUFDBGKC-RUZDIDTESA-N 1 0 376.544 4.442 20 0 GIADRO CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@H]2COc3c(cccc3OC)C2)cc1 ZINC000164508518 823806147 /nfs/dbraw/zinc/80/61/47/823806147.db2.gz LYHIDUWRNBSZRZ-OXJNMPFZSA-N 1 0 397.519 4.223 20 0 GIADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)NCCCSc2ccccc2)CC1 ZINC000126178820 823806507 /nfs/dbraw/zinc/80/65/07/823806507.db2.gz MGCNLPLCKAJZGN-UHFFFAOYSA-N 1 0 387.549 4.068 20 0 GIADRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)c1c(C)nn(-c2ccc(F)cc2)c1C)c1ccco1 ZINC000574715957 823807186 /nfs/dbraw/zinc/80/71/86/823807186.db2.gz LVIYRCVIFMNHFN-KUHUBIRLSA-N 1 0 398.482 4.080 20 0 GIADRO C[C@@H](NC(=O)CC[NH+]1CCN(c2ccccc2)CC1)c1cccc2ccccc21 ZINC000462040286 823807529 /nfs/dbraw/zinc/80/75/29/823807529.db2.gz MOYIOIDULQOYBF-HXUWFJFHSA-N 1 0 387.527 4.229 20 0 GIADRO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000126187533 823808313 /nfs/dbraw/zinc/80/83/13/823808313.db2.gz UDRBHUOHMYTSRW-UKRRQHHQSA-N 1 0 378.394 4.016 20 0 GIADRO C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000462041372 823808230 /nfs/dbraw/zinc/80/82/30/823808230.db2.gz RGHUIISOLXRDRY-HRAATJIYSA-N 1 0 397.950 4.414 20 0 GIADRO C[C@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1nc2ccccc2n1C ZINC000574723377 823809479 /nfs/dbraw/zinc/80/94/79/823809479.db2.gz OUGFGCFMHBWUJD-KRWDZBQOSA-N 1 0 376.504 4.050 20 0 GIADRO CC[NH+](CC)CCSCC(=O)N1CCCCC[C@@H]1c1ccc(OC)cc1 ZINC000462045493 823810220 /nfs/dbraw/zinc/81/02/20/823810220.db2.gz CYXDWFCOUFYBFU-HXUWFJFHSA-N 1 0 378.582 4.214 20 0 GIADRO CC(C)(CO)[C@@H]([NH2+]CC(=O)Nc1cccc(Cl)c1Cl)c1ccccc1 ZINC000574728274 823811898 /nfs/dbraw/zinc/81/18/98/823811898.db2.gz HBJRVZHVUOMIIZ-SFHVURJKSA-N 1 0 381.303 4.281 20 0 GIADRO CC(C)[C@H](CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)c1cccnc1 ZINC000164612990 823812281 /nfs/dbraw/zinc/81/22/81/823812281.db2.gz YPHDARWWJFJKQP-QFIPXVFZSA-N 1 0 379.548 4.240 20 0 GIADRO C[C@H](C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)c1cccc(Br)c1 ZINC000462050589 823812482 /nfs/dbraw/zinc/81/24/82/823812482.db2.gz RHJDHZDEVQDGAL-YJBOKZPZSA-N 1 0 379.342 4.030 20 0 GIADRO CCN(CC)C(=O)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(C)c(C)c1 ZINC000064411475 823813324 /nfs/dbraw/zinc/81/33/24/823813324.db2.gz TXUINKGHJDQTGI-UHFFFAOYSA-N 1 0 390.531 4.114 20 0 GIADRO C[NH+]1CCC(N[C@H](c2ccccc2)c2ccc(Br)cc2F)CC1 ZINC000164672075 823815074 /nfs/dbraw/zinc/81/50/74/823815074.db2.gz AITWLOQMPDUCLX-LJQANCHMSA-N 1 0 377.301 4.361 20 0 GIADRO O[C@@H]1CCC[C@H]1[NH+]1CCC(N[C@H]2CCCOc3c(Cl)c(Cl)ccc32)CC1 ZINC000574743938 823816165 /nfs/dbraw/zinc/81/61/65/823816165.db2.gz HAWKVTQBDIIUHC-RCCFBDPRSA-N 1 0 399.362 4.175 20 0 GIADRO Cc1ccc2snc(-c3nc(-c4ccccc4OCC[NH+](C)C)no3)c2c1 ZINC000574744257 823816519 /nfs/dbraw/zinc/81/65/19/823816519.db2.gz FFWGJAVUSNUFPY-UHFFFAOYSA-N 1 0 380.473 4.262 20 0 GIADRO CCCCN(C)c1ccc(C(F)(F)F)cc1C(=O)N(C)C1CC[NH+](C)CC1 ZINC000462063668 823817280 /nfs/dbraw/zinc/81/72/80/823817280.db2.gz SKOZLVRDJHNNMT-UHFFFAOYSA-N 1 0 385.474 4.108 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCc2cnccc2C(C)(C)C)C1 ZINC000413693630 823819189 /nfs/dbraw/zinc/81/91/89/823819189.db2.gz LQMHVCBZOKFKSL-MOPGFXCFSA-N 1 0 386.584 4.175 20 0 GIADRO Cn1c(CN[C@H](C[NH+](C)C)c2ccc(Cl)cc2)nc2cc(Cl)ccc21 ZINC000574755756 823819230 /nfs/dbraw/zinc/81/92/30/823819230.db2.gz DCUMUNCHESAZAY-QGZVFWFLSA-N 1 0 377.319 4.273 20 0 GIADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](C)c2nc(C(C)(C)C)cs2)C1 ZINC000126243149 823819293 /nfs/dbraw/zinc/81/92/93/823819293.db2.gz BUQBDXQFSCUWCV-JKSUJKDBSA-N 1 0 380.602 4.169 20 0 GIADRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)C[C@@H]2C=CCC2)CC1 ZINC000064447871 823820454 /nfs/dbraw/zinc/82/04/54/823820454.db2.gz AUJLXCUJUQXFHP-MRXNPFEDSA-N 1 0 380.454 4.485 20 0 GIADRO Cc1cccc([C@H]2CCC[N@@H+]2Cn2ccc(=O)c3cccc(Br)c32)n1 ZINC000164821350 823821497 /nfs/dbraw/zinc/82/14/97/823821497.db2.gz XHWAWLBNAUBFBR-GOSISDBHSA-N 1 0 398.304 4.262 20 0 GIADRO CC(C)c1ccc(C[C@@H]2CC[N@H+](Cc3cnc(N4CCOCC4)s3)C2)cc1 ZINC000462080310 823822117 /nfs/dbraw/zinc/82/21/17/823822117.db2.gz UMEXQMGULKTLFQ-IBGZPJMESA-N 1 0 385.577 4.168 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCCCC1)c1cc(-c2ccccn2)no1 ZINC000462087260 823824361 /nfs/dbraw/zinc/82/43/61/823824361.db2.gz XGMIANJGZZGJCX-UHFFFAOYSA-N 1 0 390.487 4.043 20 0 GIADRO Cc1ccc(CC(=O)N(CC[NH+](C)C)Cc2ccc(C(F)(F)F)cc2)s1 ZINC000064470453 823825277 /nfs/dbraw/zinc/82/52/77/823825277.db2.gz CHFPDCDFPBVBJJ-UHFFFAOYSA-N 1 0 384.467 4.208 20 0 GIADRO CC[C@H](CNC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)CC(F)(F)F ZINC000413723987 823826106 /nfs/dbraw/zinc/82/61/06/823826106.db2.gz CBOONTUDMGTZFY-YTQUADARSA-N 1 0 397.485 4.129 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)Nc1cccnc1C(F)(F)F ZINC000574792517 823827699 /nfs/dbraw/zinc/82/76/99/823827699.db2.gz SYKOPHUUSYPTCB-CQSZACIVSA-N 1 0 382.386 4.042 20 0 GIADRO CCOc1cccc([C@@H](C)[NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)c1 ZINC000165008663 823829492 /nfs/dbraw/zinc/82/94/92/823829492.db2.gz DABHOSZIVWEFPP-QGZVFWFLSA-N 1 0 378.472 4.459 20 0 GIADRO c1cc(-c2ccc(C[N@@H+]3CCC[C@@H](c4nnc(C5CCCCC5)[nH]4)C3)o2)n[nH]1 ZINC000574797194 823829986 /nfs/dbraw/zinc/82/99/86/823829986.db2.gz SVSXDZTXFINFFC-MRXNPFEDSA-N 1 0 380.496 4.215 20 0 GIADRO CC(C)[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000462111324 823831454 /nfs/dbraw/zinc/83/14/54/823831454.db2.gz JBUDSKMYXODJMI-QUCCMNQESA-N 1 0 378.944 4.220 20 0 GIADRO C[C@H]([NH3+])[C@H](C)C(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000191992660 823832279 /nfs/dbraw/zinc/83/22/79/823832279.db2.gz WXVGMPURHZRPMP-HOTGVXAUSA-N 1 0 396.922 4.134 20 0 GIADRO CCCC[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)NC)cc1)c1ccc(OC)cc1 ZINC000165063653 823832842 /nfs/dbraw/zinc/83/28/42/823832842.db2.gz RQTWNZARSJQCBG-HRAATJIYSA-N 1 0 390.549 4.185 20 0 GIADRO CCCN(C)c1ccc(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000064521137 823834930 /nfs/dbraw/zinc/83/49/30/823834930.db2.gz PVGNXOLJYXJQGV-GOSISDBHSA-N 1 0 385.577 4.236 20 0 GIADRO O=C(CCSc1ccc(F)cc1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000064522279 823835843 /nfs/dbraw/zinc/83/58/43/823835843.db2.gz LNYVGCZWJONZIZ-INIZCTEOSA-N 1 0 392.565 4.398 20 0 GIADRO Cc1cccc(OCCCC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000064522054 823836036 /nfs/dbraw/zinc/83/60/36/823836036.db2.gz VJTBLWGKTMVFQQ-IBGZPJMESA-N 1 0 386.561 4.244 20 0 GIADRO Cc1c2cc(Br)ccc2oc1C(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000574832053 823836791 /nfs/dbraw/zinc/83/67/91/823836791.db2.gz OMSMILMRMKNQPO-IUODEOHRSA-N 1 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823842212 /nfs/dbraw/zinc/84/22/12/823842212.db2.gz MAPWNNNYLXBCEN-NVXWUHKLSA-N 1 0 389.952 4.210 20 0 GIADRO Cc1cccc(Cl)c1NC(=O)C[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000192044124 823842453 /nfs/dbraw/zinc/84/24/53/823842453.db2.gz WWMXTEPEUXMJIP-LPHOPBHVSA-N 1 0 379.287 4.360 20 0 GIADRO COc1ccc(CCC(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)cc1F ZINC000574851103 823842959 /nfs/dbraw/zinc/84/29/59/823842959.db2.gz RLAZICOJAIICTC-NRFANRHFSA-N 1 0 398.522 4.185 20 0 GIADRO CCC[N@H+](CC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1)Cc1ccccc1 ZINC000064555012 823843322 /nfs/dbraw/zinc/84/33/22/823843322.db2.gz MYMSTXXRFYOSQM-PMACEKPBSA-N 1 0 395.547 4.151 20 0 GIADRO CCOc1cc(C[NH2+]Cc2cccc(C)c2)ccc1OCC(=O)N1CCCCC1 ZINC000126341906 823843791 /nfs/dbraw/zinc/84/37/91/823843791.db2.gz ZKNDLCLAOKRZBR-UHFFFAOYSA-N 1 0 396.531 4.075 20 0 GIADRO C[C@H]([NH2+]C1CCN(Cc2ccc(F)cc2)CC1)c1cccc(N2CCOC2=O)c1 ZINC000165349893 823844483 /nfs/dbraw/zinc/84/44/83/823844483.db2.gz FTAKLJKBWLXDPD-KRWDZBQOSA-N 1 0 397.494 4.098 20 0 GIADRO Cc1sc(-c2ccco2)nc1C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000126345989 823844880 /nfs/dbraw/zinc/84/48/80/823844880.db2.gz QJKAMWCYIZOMEQ-UHFFFAOYSA-N 1 0 396.516 4.095 20 0 GIADRO CCOc1ccc(C(F)(F)F)cc1NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000165353702 823844990 /nfs/dbraw/zinc/84/49/90/823844990.db2.gz WRMXHOFCGZNCCD-CJNGLKHVSA-N 1 0 385.430 4.052 20 0 GIADRO Cc1ccccc1C[N@H+]1CCCN(C(=O)Nc2ccc3c(c2)CCCN3C)CC1 ZINC000064562463 823845761 /nfs/dbraw/zinc/84/57/61/823845761.db2.gz QUNVNDFOYLXOMW-UHFFFAOYSA-N 1 0 392.547 4.117 20 0 GIADRO C[C@@H]([NH2+]C1CCN(Cc2ccc(F)cc2)CC1)c1cnn(Cc2ccccc2)c1 ZINC000165384988 823846427 /nfs/dbraw/zinc/84/64/27/823846427.db2.gz XRTUDDPIADOCTC-LJQANCHMSA-N 1 0 392.522 4.386 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)CCCc1nc2ccccc2s1 ZINC000462156678 823847932 /nfs/dbraw/zinc/84/79/32/823847932.db2.gz DMUVOHYMZGGBTB-PXNSSMCTSA-N 1 0 393.556 4.256 20 0 GIADRO C[C@@](O)(C[NH2+]Cc1ccc(Oc2ccccc2C(F)(F)F)nc1)C(F)(F)F ZINC000574869085 823848164 /nfs/dbraw/zinc/84/81/64/823848164.db2.gz MUEDUYKICDKSLF-OAHLLOKOSA-N 1 0 394.315 4.296 20 0 GIADRO CCCN(C(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1)[C@@H](C)c1cc2ccccc2o1 ZINC000574868732 823848260 /nfs/dbraw/zinc/84/82/60/823848260.db2.gz NYMLSPMVARBPCN-QFBILLFUSA-N 1 0 380.492 4.167 20 0 GIADRO O=C(c1ccc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)cc1)N1CCCC1 ZINC000192064611 823848622 /nfs/dbraw/zinc/84/86/22/823848622.db2.gz XVFOEKWZRZYVGC-RTWAWAEBSA-N 1 0 384.907 4.196 20 0 GIADRO C[C@H](NC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000462161920 823849556 /nfs/dbraw/zinc/84/95/56/823849556.db2.gz FECWJOUWPRHZMS-GOEBONIOSA-N 1 0 383.458 4.140 20 0 GIADRO Cc1sc(NC(=O)C[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)c(C)c1C ZINC000192068513 823850084 /nfs/dbraw/zinc/85/00/84/823850084.db2.gz ULBDNSVSDDWVNY-SJLPKXTDSA-N 1 0 378.925 4.385 20 0 GIADRO C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]Cc1ccc(Cl)nc1 ZINC000165510007 823851486 /nfs/dbraw/zinc/85/14/86/823851486.db2.gz PLAJSEXMENFJDL-NSHDSACASA-N 1 0 387.789 4.141 20 0 GIADRO C[C@@H]([NH2+]CCNC(=O)c1ccccc1Cl)[C@@H](C)c1nc2ccccc2s1 ZINC000165513446 823851817 /nfs/dbraw/zinc/85/18/17/823851817.db2.gz OMQZYFDBEWLBNJ-ZIAGYGMSSA-N 1 0 387.936 4.461 20 0 GIADRO CCOc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(N2CCCC2)c1 ZINC000126380755 823852651 /nfs/dbraw/zinc/85/26/51/823852651.db2.gz LMTXRLKWPFEGBT-ROUUACIJSA-N 1 0 381.520 4.363 20 0 GIADRO COc1cc(C[NH2+]CC(=O)Nc2ccc(F)cc2)c(-c2ccccc2)cc1OC ZINC000064614700 823852735 /nfs/dbraw/zinc/85/27/35/823852735.db2.gz JRVCSTALOPCUOC-UHFFFAOYSA-N 1 0 394.446 4.238 20 0 GIADRO CN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000413867328 823852814 /nfs/dbraw/zinc/85/28/14/823852814.db2.gz VDOIKRFRAQZNJN-DLBZAZTESA-N 1 0 388.861 4.319 20 0 GIADRO CCc1cccc(C)c1NC(=O)C[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000192081784 823853982 /nfs/dbraw/zinc/85/39/82/823853982.db2.gz ZLPWYQPZNMQWRQ-GHTZIAJQSA-N 1 0 390.886 4.408 20 0 GIADRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)Nc1cccc2cccnc21 ZINC000064624036 823854141 /nfs/dbraw/zinc/85/41/41/823854141.db2.gz HAJWFGXFHJZDOP-MRXNPFEDSA-N 1 0 380.517 4.330 20 0 GIADRO C[C@H]([NH2+]CC1(CCO)CCCCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000165618705 823855897 /nfs/dbraw/zinc/85/58/97/823855897.db2.gz RLDVHUQNEHIMSP-KRWDZBQOSA-N 1 0 380.960 4.160 20 0 GIADRO CC(C)[C@H](Oc1ccc(Cl)cc1)C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000462181726 823857719 /nfs/dbraw/zinc/85/77/19/823857719.db2.gz QRGSARPHWHJYPS-PXNSSMCTSA-N 1 0 378.944 4.078 20 0 GIADRO [NH3+]C[C@H]1CCCN(C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)C1 ZINC000574904664 823857687 /nfs/dbraw/zinc/85/76/87/823857687.db2.gz YICLFEYJOVGGHA-MRXNPFEDSA-N 1 0 380.517 4.090 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)c1ccnc(Cl)c1)c1ccccc1OCC(=O)N(C)C ZINC000165693925 823859370 /nfs/dbraw/zinc/85/93/70/823859370.db2.gz SNGVLXVJQCLMNO-YOEHRIQHSA-N 1 0 375.900 4.004 20 0 GIADRO CC[C@@H]([NH2+][C@H](C)c1ccnc(Cl)c1)c1ccccc1OCC(=O)N(C)C ZINC000165694307 823859585 /nfs/dbraw/zinc/85/95/85/823859585.db2.gz SNGVLXVJQCLMNO-RHSMWYFYSA-N 1 0 375.900 4.004 20 0 GIADRO CC1CC[NH+](Cc2ccccc2CNC(=O)CCc2ncc(C(C)(C)C)o2)CC1 ZINC000192099386 823859628 /nfs/dbraw/zinc/85/96/28/823859628.db2.gz BERDJVKKWWKDML-UHFFFAOYSA-N 1 0 397.563 4.453 20 0 GIADRO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+]([C@H](C)c2nnc(-c3cccc(Cl)c3)o2)C1 ZINC000574910534 823859639 /nfs/dbraw/zinc/85/96/39/823859639.db2.gz PCINQRCURIPKNS-VLIAUNLRSA-N 1 0 391.899 4.362 20 0 GIADRO CSc1nnc(CCC[NH2+][C@H]2CCCc3nc(C)sc32)n1CC(C)C ZINC000165703146 823860218 /nfs/dbraw/zinc/86/02/18/823860218.db2.gz ISHYWNIQICXZHN-AWEZNQCLSA-N 1 0 379.599 4.021 20 0 GIADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C[C@@H](C)c2ccc(F)c(Br)c2)C1 ZINC000462186137 823860147 /nfs/dbraw/zinc/86/01/47/823860147.db2.gz FRJBITZBKZFBDR-HUUCEWRRSA-N 1 0 399.348 4.176 20 0 GIADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cc(-c3ccccc3C(F)(F)F)on2)C1 ZINC000462189391 823861449 /nfs/dbraw/zinc/86/14/49/823861449.db2.gz MSQLJBUFIGBTHP-CQSZACIVSA-N 1 0 395.425 4.068 20 0 GIADRO CC[C@H](C)n1ncc(C(=O)Nc2ccc(OCC[NH+](C)C)cc2F)c1C1CC1 ZINC000413897912 823862203 /nfs/dbraw/zinc/86/22/03/823862203.db2.gz FJZIXEXLYDJYJA-AWEZNQCLSA-N 1 0 388.487 4.063 20 0 GIADRO C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)C[C@H](C)O1 ZINC000574929446 823862523 /nfs/dbraw/zinc/86/25/23/823862523.db2.gz DYERTEMJAMLXBD-USYVTKNRSA-N 1 0 398.547 4.167 20 0 GIADRO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c(F)c1 ZINC000192108422 823862818 /nfs/dbraw/zinc/86/28/18/823862818.db2.gz JWKHHOGUAZUWMC-GESALYCCSA-N 1 0 394.849 4.373 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)CCCc2ccc(F)c(F)c2)c(F)c1 ZINC000413901804 823863019 /nfs/dbraw/zinc/86/30/19/823863019.db2.gz NQRDIXIIAPRWCU-UHFFFAOYSA-N 1 0 380.410 4.006 20 0 GIADRO CC(C)[C@@H](C(=O)Nc1ccc(OCC[NH+](C)C)cc1F)c1ccc(F)cc1 ZINC000413902721 823863105 /nfs/dbraw/zinc/86/31/05/823863105.db2.gz PLBHXQIZYBSQMM-HXUWFJFHSA-N 1 0 376.447 4.284 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)C2(c3ccc(F)cc3F)CCC2)c(F)c1 ZINC000413903159 823863720 /nfs/dbraw/zinc/86/37/20/823863720.db2.gz QJCUQQQUGAIVAA-UHFFFAOYSA-N 1 0 392.421 4.105 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(OCc2ccccn2)cc1)c1ccc([S@](C)=O)cc1 ZINC000165869529 823864648 /nfs/dbraw/zinc/86/46/48/823864648.db2.gz UFYKCWPYBKJMJN-XGCWNURASA-N 1 0 380.513 4.249 20 0 GIADRO C[C@H](CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(F)c(Br)c1 ZINC000462195974 823864825 /nfs/dbraw/zinc/86/48/25/823864825.db2.gz NQCNPJQMGRNNOX-OHRKKDJYSA-N 1 0 397.332 4.213 20 0 GIADRO COc1ccc(-c2nc3c(s2)[C@@H]([NH2+]Cc2ccc(OC)nc2)CCC3)cc1 ZINC000126430320 823865190 /nfs/dbraw/zinc/86/51/90/823865190.db2.gz JMZJSVMLMCOALB-KRWDZBQOSA-N 1 0 381.501 4.390 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccccc1COC(C)(C)C ZINC000462196659 823865295 /nfs/dbraw/zinc/86/52/95/823865295.db2.gz QXSLLSSRKCFEIU-PGRDOPGGSA-N 1 0 380.532 4.252 20 0 GIADRO COC[C@H]([NH2+][C@H](C)c1sc(Cc2ccc(OC)c(OC)c2)nc1C)C(C)C ZINC000165941233 823866415 /nfs/dbraw/zinc/86/64/15/823866415.db2.gz UYSXFRHQDWSWQJ-PBHICJAKSA-N 1 0 392.565 4.381 20 0 GIADRO CC[C@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)CC(F)(F)F ZINC000413921079 823866480 /nfs/dbraw/zinc/86/64/80/823866480.db2.gz VCSKEQBOUJRQHZ-IRXDYDNUSA-N 1 0 377.495 4.119 20 0 GIADRO CC[C@@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)CC(F)(F)F ZINC000413921002 823866668 /nfs/dbraw/zinc/86/66/68/823866668.db2.gz USTQLMURKVGVLI-SJORKVTESA-N 1 0 377.495 4.263 20 0 GIADRO Cc1cccc([C@@H]2CCCN2C(=O)NCC2CC[NH+](Cc3cccs3)CC2)n1 ZINC000165981461 823867516 /nfs/dbraw/zinc/86/75/16/823867516.db2.gz RLOXAQBXBDHMHX-NRFANRHFSA-N 1 0 398.576 4.210 20 0 GIADRO Cc1ccc(OCc2ccc(C(=O)NCCC[NH+]3CCC(C)CC3)o2)c(C)c1 ZINC000064700600 823867613 /nfs/dbraw/zinc/86/76/13/823867613.db2.gz QISZNLFKWNBRAF-UHFFFAOYSA-N 1 0 384.520 4.327 20 0 GIADRO CSCC[C@H](C)[N@H+](C)CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000126443955 823868953 /nfs/dbraw/zinc/86/89/53/823868953.db2.gz HENBNLDFDCHRSL-HOCLYGCPSA-N 1 0 391.562 4.092 20 0 GIADRO CC(=O)N(c1nc(CN(C)CC[C@H]2CCCC[N@@H+]2C)cs1)c1ccccc1 ZINC000166113472 823870006 /nfs/dbraw/zinc/87/00/06/823870006.db2.gz SBWHUTISFSQMQI-LJQANCHMSA-N 1 0 386.565 4.134 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)c1scnc1C1CCCC1 ZINC000413934184 823870371 /nfs/dbraw/zinc/87/03/71/823870371.db2.gz AAAXTBHSFUIRBE-UHFFFAOYSA-N 1 0 389.521 4.002 20 0 GIADRO Cc1cccc([C@H](C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)N2CCOCC2)c1 ZINC000166143579 823870402 /nfs/dbraw/zinc/87/04/02/823870402.db2.gz JHHSLSQWGVMPOX-TUSQITKMSA-N 1 0 394.559 4.126 20 0 GIADRO Cc1cc(NC(=O)C2(c3ccccc3)CC[NH2+]CC2)ccc1Oc1cccnc1 ZINC000166138884 823870478 /nfs/dbraw/zinc/87/04/78/823870478.db2.gz DGYXNLOHJYMQOR-UHFFFAOYSA-N 1 0 387.483 4.442 20 0 GIADRO c1ccc(CCN2CCC([NH2+][C@H](C[C@@H]3CCOC3)c3ccccc3)CC2)cc1 ZINC000166137042 823870554 /nfs/dbraw/zinc/87/05/54/823870554.db2.gz IWXVGEFTBSYSFK-WIOPSUGQSA-N 1 0 378.560 4.451 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1nc2ccccc2nc1C1CC1 ZINC000574956829 823871401 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GIADRO 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 823875752 /nfs/dbraw/zinc/87/57/52/823875752.db2.gz ARZBCBMFIYKWJI-XMTFNYHQSA-N 1 0 378.944 4.280 20 0 GIADRO COc1cc2[nH]c(CCC[NH2+][C@H](C)c3ccc(OC)c(OC)c3)cc2c(OC)c1 ZINC000166351402 823875811 /nfs/dbraw/zinc/87/58/11/823875811.db2.gz GCXKQUDQTWZQCZ-OAHLLOKOSA-N 1 0 398.503 4.486 20 0 GIADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2cc(F)cc(Br)c2)C1 ZINC000064735792 823875873 /nfs/dbraw/zinc/87/58/73/823875873.db2.gz SEKRDQSPTLGWIA-IIYDPXPESA-N 1 0 383.305 4.066 20 0 GIADRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1ccc2ncccc2c1 ZINC000126472302 823876807 /nfs/dbraw/zinc/87/68/07/823876807.db2.gz IPLLFLYGIIEMNE-UHFFFAOYSA-N 1 0 377.513 4.344 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)CCCc2ncc(-c3ccccc3)o2)CC1 ZINC000064738974 823877022 /nfs/dbraw/zinc/87/70/22/823877022.db2.gz NIKIZIFTZFYTRW-UHFFFAOYSA-N 1 0 383.536 4.243 20 0 GIADRO COc1cc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c(Cl)c(OC)c1 ZINC000413958104 823877880 /nfs/dbraw/zinc/87/78/80/823877880.db2.gz NSSUBAHAZIMOAS-MRXNPFEDSA-N 1 0 388.895 4.208 20 0 GIADRO Cc1ccc([C@H](NC(=O)N2CCC[C@@H](C[NH3+])C2)c2ccc(F)cc2Cl)cc1 ZINC000574975145 823878089 /nfs/dbraw/zinc/87/80/89/823878089.db2.gz PCWZQILONMPUGN-YWZLYKJASA-N 1 0 389.902 4.257 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)C1(c2cccc(C)c2)CC1)[NH+]1CCCCC1 ZINC000064744848 823878375 /nfs/dbraw/zinc/87/83/75/823878375.db2.gz QAVMTELJUQKNJU-JOCHJYFZSA-N 1 0 392.543 4.379 20 0 GIADRO COc1cc(OC)c(CC[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)c(OC)c1 ZINC000166544952 823878923 /nfs/dbraw/zinc/87/89/23/823878923.db2.gz MFQIOFYFZWTWLX-UTKZUKDTSA-N 1 0 385.504 4.012 20 0 GIADRO CCn1c(C[NH2+][C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)nc2cc(F)ccc21 ZINC000192144434 823878942 /nfs/dbraw/zinc/87/89/42/823878942.db2.gz WSZIBTPAUGLMDM-OXQOHEQNSA-N 1 0 375.394 4.093 20 0 GIADRO C[C@H](C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)N(C)CC(F)(F)F ZINC000192144530 823879033 /nfs/dbraw/zinc/87/90/33/823879033.db2.gz JSNSSTSRRJYWON-OAHLLOKOSA-N 1 0 385.474 4.272 20 0 GIADRO CC(=O)c1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cccc(N3CCCC3)c2)cc1 ZINC000126479840 823879523 /nfs/dbraw/zinc/87/95/23/823879523.db2.gz NCAVXHVWSZGOFG-IAGOWNOFSA-N 1 0 379.504 4.167 20 0 GIADRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+][C@H]3c4ccccc4C[C@@H]3O)s2)cc1 ZINC000166627130 823880186 /nfs/dbraw/zinc/88/01/86/823880186.db2.gz XSAXYAVTIPDYAY-CWVNLOTRSA-N 1 0 380.513 4.436 20 0 GIADRO CC1(C)CC[C@@H]([NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)c2cc(Br)ccc21 ZINC000574994948 823882050 /nfs/dbraw/zinc/88/20/50/823882050.db2.gz QBIBXQFFAYJWJA-SCLBCKFNSA-N 1 0 391.353 4.162 20 0 GIADRO CCc1noc(CC)c1C[NH2+][C@H](C)c1ccc(I)cc1 ZINC000166992621 823884865 /nfs/dbraw/zinc/88/48/65/823884865.db2.gz XMIOOIGPWUAXJW-LLVKDONJSA-N 1 0 384.261 4.255 20 0 GIADRO Cc1ccccc1[C@H](OC[C@H](O)C[N@@H+]1CCCO[C@H](C(C)C)C1)c1ccccc1 ZINC000575006492 823884920 /nfs/dbraw/zinc/88/49/20/823884920.db2.gz AJRSSJSPRDDVAA-PZUNEJSGSA-N 1 0 397.559 4.209 20 0 GIADRO O=C(c1ccco1)N1CCC([NH2+][C@H]2CCCOc3cc4c(cc32)CCCC4)CC1 ZINC000126507216 823886756 /nfs/dbraw/zinc/88/67/56/823886756.db2.gz FFLNNLLXMWUXPE-NRFANRHFSA-N 1 0 394.515 4.267 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccccc1C(F)(F)F ZINC000462233440 823887054 /nfs/dbraw/zinc/88/70/54/823887054.db2.gz QMXLFXXXCDSPOE-KDOFPFPSSA-N 1 0 377.410 4.347 20 0 GIADRO C[NH+](C)CCN(C(=O)c1cc(-c2ccccc2C(F)(F)F)on1)C1CCCC1 ZINC000462234412 823887316 /nfs/dbraw/zinc/88/73/16/823887316.db2.gz QYUYTHAHGPAZQX-UHFFFAOYSA-N 1 0 395.425 4.307 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2ccc(C)cc2OC[C@H]2CCOC2)c1 ZINC000167160856 823887425 /nfs/dbraw/zinc/88/74/25/823887425.db2.gz LIRMPNIYCYQITN-HKUYNNGSSA-N 1 0 382.504 4.220 20 0 GIADRO COCCOc1ccc(C[NH2+]Cc2ccc(Br)c(Cl)c2)cc1 ZINC000192165863 823888665 /nfs/dbraw/zinc/88/86/65/823888665.db2.gz LMKCYIMMJVOINF-UHFFFAOYSA-N 1 0 384.701 4.418 20 0 GIADRO C[N@H+](CCNC(=O)CCOc1cccc(Cl)c1Cl)Cc1ccccc1 ZINC000064805194 823888656 /nfs/dbraw/zinc/88/86/56/823888656.db2.gz JHBODPCYFNIEIT-UHFFFAOYSA-N 1 0 381.303 4.011 20 0 GIADRO C[C@H]([NH2+]CCc1nnc2n1CCCCC2)c1cccc(OCc2ccccc2)c1 ZINC000126515791 823889087 /nfs/dbraw/zinc/88/90/87/823889087.db2.gz WETFNTXAVJDGJM-IBGZPJMESA-N 1 0 390.531 4.477 20 0 GIADRO COCCCOc1cc(C)ccc1C[NH2+][C@H](C)c1ccc2c(c1)OCCCO2 ZINC000167237732 823889360 /nfs/dbraw/zinc/88/93/60/823889360.db2.gz ROELUZAFWNLSKU-GOSISDBHSA-N 1 0 385.504 4.422 20 0 GIADRO COc1ccc2oc(CNc3ccccc3C[NH+]3CCC(CO)CC3)cc2c1 ZINC000126524436 823890392 /nfs/dbraw/zinc/89/03/92/823890392.db2.gz IFOKGXZTNWUBFX-UHFFFAOYSA-N 1 0 380.488 4.258 20 0 GIADRO C[NH+](C)Cc1ccc(C(=O)Nc2ccc(OCc3cccnc3)c(Cl)c2)cn1 ZINC000575023759 823891100 /nfs/dbraw/zinc/89/11/00/823891100.db2.gz ZWXOVCYJARDIMM-UHFFFAOYSA-N 1 0 396.878 4.023 20 0 GIADRO CCCn1c2ccccc2nc1C[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000575027033 823892361 /nfs/dbraw/zinc/89/23/61/823892361.db2.gz MMUKLQODVQOJEO-SJBKTWHCSA-N 1 0 375.516 4.451 20 0 GIADRO COc1cc(CN2CC[C@@H]([NH2+][C@H](C)c3cnc4ccsc4c3)C2)cc(OC)c1 ZINC000167561261 823893459 /nfs/dbraw/zinc/89/34/59/823893459.db2.gz YNUVNMFZDSIXDF-CRAIPNDOSA-N 1 0 397.544 4.239 20 0 GIADRO Cc1ccnc([C@H](C)[NH2+]Cc2ccc(I)c(Cl)c2)c1 ZINC000575030915 823893632 /nfs/dbraw/zinc/89/36/32/823893632.db2.gz CAGZPRGCVRMGMN-NSHDSACASA-N 1 0 386.664 4.499 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2N2CCC(O)CC2)c1 ZINC000167757992 823894825 /nfs/dbraw/zinc/89/48/25/823894825.db2.gz LNJFCGQXSPISRS-CVEARBPZSA-N 1 0 399.510 4.157 20 0 GIADRO C[N@@H+]1CCCN(c2ccc(-c3noc(/C=C\c4ccccc4Cl)n3)cn2)CC1 ZINC000575035186 823895435 /nfs/dbraw/zinc/89/54/35/823895435.db2.gz SZINVJGNDFQAEH-NTMALXAHSA-N 1 0 395.894 4.097 20 0 GIADRO CCN(C(=O)c1ccc(F)c(NC(C)=O)c1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000126552220 823896761 /nfs/dbraw/zinc/89/67/61/823896761.db2.gz DEZFMGGAIAIZOU-OXJNMPFZSA-N 1 0 397.494 4.082 20 0 GIADRO C[C@@H]([NH2+]C(C)(C)CN[C@@H](C)c1ccc(N2CCOC2=O)cc1)c1ccccc1 ZINC000167853367 823896830 /nfs/dbraw/zinc/89/68/30/823896830.db2.gz KYXUIAOQZUSNKF-ZWKOTPCHSA-N 1 0 381.520 4.423 20 0 GIADRO COC(=O)c1cnc([C@H](C)[NH2+]C[C@@H]2CCN(c3cc(Cl)ccc3C)C2)s1 ZINC000414061280 823898310 /nfs/dbraw/zinc/89/83/10/823898310.db2.gz AOYORNQCYLYDIQ-KBPBESRZSA-N 1 0 393.940 4.069 20 0 GIADRO COC(=O)c1cnc([C@@H](C)[NH2+]C[C@H]2CCN(c3cc(Cl)ccc3C)C2)s1 ZINC000414061290 823898589 /nfs/dbraw/zinc/89/85/89/823898589.db2.gz AOYORNQCYLYDIQ-ZIAGYGMSSA-N 1 0 393.940 4.069 20 0 GIADRO CSCC[C@H]([NH2+][C@H]1C[C@@H](OC(C)(C)C)C1(C)C)c1nnc2ccccn21 ZINC000414061947 823898613 /nfs/dbraw/zinc/89/86/13/823898613.db2.gz KTFMMUAQXAPGJN-HRCADAONSA-N 1 0 376.570 4.095 20 0 GIADRO NC(=O)C[C@@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1cccc(Cl)c1 ZINC000575045219 823898937 /nfs/dbraw/zinc/89/89/37/823898937.db2.gz XEKQNLOZAFMIIR-NHCUHLMSSA-N 1 0 397.950 4.043 20 0 GIADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000126560967 823898950 /nfs/dbraw/zinc/89/89/50/823898950.db2.gz UUBYQUXKLQNAAH-AWEZNQCLSA-N 1 0 382.335 4.152 20 0 GIADRO Clc1cc(C[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)ccc1Br ZINC000192200851 823900028 /nfs/dbraw/zinc/90/00/28/823900028.db2.gz QXAQSHRYMMYNSL-DOMZBBRYSA-N 1 0 376.747 4.247 20 0 GIADRO CS(=O)(=O)c1ccc(OCC[NH2+][C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000414067632 823900349 /nfs/dbraw/zinc/90/03/49/823900349.db2.gz ANZTVGCQBGNTPL-SJLPKXTDSA-N 1 0 393.936 4.048 20 0 GIADRO CC(C)c1nn(Cc2ccccc2)c(Cl)c1C[NH2+]CC[S@](=O)C(C)(C)C ZINC000168348917 823902700 /nfs/dbraw/zinc/90/27/00/823902700.db2.gz VFZNZKCTSOQJOS-AREMUKBSSA-N 1 0 396.000 4.345 20 0 GIADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](c2ccccc2F)C2CCCC2)cc1 ZINC000168496666 823903024 /nfs/dbraw/zinc/90/30/24/823903024.db2.gz CNNNAYGANXNLDJ-QVKFZJNVSA-N 1 0 390.524 4.316 20 0 GIADRO CCCC(=O)Nc1cccc(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000462261403 823903795 /nfs/dbraw/zinc/90/37/95/823903795.db2.gz YIHDBLCFDBIGOQ-DYESRHJHSA-N 1 0 394.519 4.067 20 0 GIADRO C[C@H]([NH2+]CCc1nnc2n1CCCCC2)c1ccccc1OCc1ccccc1 ZINC000126579341 823904554 /nfs/dbraw/zinc/90/45/54/823904554.db2.gz QMCMHEAUIHXGMW-IBGZPJMESA-N 1 0 390.531 4.477 20 0 GIADRO CCSCC[C@@H](C)[NH2+]Cc1ncc(Br)cc1Br ZINC000168620303 823905116 /nfs/dbraw/zinc/90/51/16/823905116.db2.gz AMAURYFGJDEEGL-SECBINFHSA-N 1 0 382.165 4.228 20 0 GIADRO CC(C)n1ncc2cc(C[NH2+]C[C@H](O)c3ccc(Cl)cc3)c(Cl)nc21 ZINC000126586190 823905950 /nfs/dbraw/zinc/90/59/50/823905950.db2.gz CHGHIIDVJVQDNU-INIZCTEOSA-N 1 0 379.291 4.142 20 0 GIADRO CCOc1cc(C[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)ccc1OC ZINC000168812637 823906355 /nfs/dbraw/zinc/90/63/55/823906355.db2.gz JVKZMNSHZYXXFI-UHFFFAOYSA-N 1 0 386.511 4.030 20 0 GIADRO CC[C@@H](CNC(=S)Nc1ccc2c(c1)CCC2)[N@@H+]1CCc2ccccc2C1 ZINC000064892573 823906494 /nfs/dbraw/zinc/90/64/94/823906494.db2.gz SRPBDAKUXCUJDC-QFIPXVFZSA-N 1 0 379.573 4.299 20 0 GIADRO CCOc1c(Br)cc(C[NH2+]CCOC(C)C)cc1Br ZINC000168961357 823907325 /nfs/dbraw/zinc/90/73/25/823907325.db2.gz WMXDILMEWJSAEU-UHFFFAOYSA-N 1 0 395.135 4.125 20 0 GIADRO COc1ccc(CCC[N@H+](C)C[C@@H](O)COc2cccc3ccccc32)cc1 ZINC000168992972 823907478 /nfs/dbraw/zinc/90/74/78/823907478.db2.gz CTIVXMDEEMUQQI-OAQYLSRUSA-N 1 0 379.500 4.153 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1ccccc1CSC1=NCCS1)c1ccccc1 ZINC000126594957 823907652 /nfs/dbraw/zinc/90/76/52/823907652.db2.gz DOUVLPWXTNZBSK-IBGZPJMESA-N 1 0 399.585 4.055 20 0 GIADRO Cc1ccc(C)n1-c1sccc1C(=O)N(C)CCC[N@H+](C)Cc1ccncc1 ZINC000575087725 823908372 /nfs/dbraw/zinc/90/83/72/823908372.db2.gz IBZCTHMWHRHCIJ-UHFFFAOYSA-N 1 0 396.560 4.145 20 0 GIADRO C[C@H](NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1csc(-c2ccccc2)n1 ZINC000414096397 823908548 /nfs/dbraw/zinc/90/85/48/823908548.db2.gz QNCSFDYMQJXUKI-ZLGUVYLKSA-N 1 0 385.577 4.229 20 0 GIADRO COc1c(Br)cc(C[NH2+][C@H]2CC[C@@H](F)C2)cc1Br ZINC000575089727 823908723 /nfs/dbraw/zinc/90/87/23/823908723.db2.gz WWIKEODLQFWZOT-ZJUUUORDSA-N 1 0 381.083 4.200 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(N)cc2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000169138753 823908781 /nfs/dbraw/zinc/90/87/81/823908781.db2.gz WKOUDWRHZLYNKN-LPHOPBHVSA-N 1 0 391.437 4.101 20 0 GIADRO Cc1noc(CCC[NH2+][C@@H](c2ccccc2)c2cccc(Br)c2)n1 ZINC000414106966 823911412 /nfs/dbraw/zinc/91/14/12/823911412.db2.gz YCWCEOOEYFYYGE-IBGZPJMESA-N 1 0 386.293 4.452 20 0 GIADRO CC[C@H]([NH2+][C@H](c1ccc(OC)cc1)c1cccc(S(C)(=O)=O)c1)[C@@H]1C[C@H]1C ZINC000414108876 823911695 /nfs/dbraw/zinc/91/16/95/823911695.db2.gz KESHMTLRWGUWJM-ZHHJKBAOSA-N 1 0 387.545 4.212 20 0 GIADRO O=C1C[C@@H]([N@@H+]2CC[C@@H](Cc3ccccc3)C2)C(=O)N1c1cccc2ccccc21 ZINC000462285611 823912714 /nfs/dbraw/zinc/91/27/14/823912714.db2.gz BXQMDEWHPIHMSO-WMZHIEFXSA-N 1 0 384.479 4.036 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N(C)c1ccc(OC(C)C)cc1 ZINC000575102001 823913097 /nfs/dbraw/zinc/91/30/97/823913097.db2.gz JJYYGEMYKWUNIZ-UHFFFAOYSA-N 1 0 396.535 4.202 20 0 GIADRO C[C@H](C[NH2+][C@@H](C)c1ccc(Br)cn1)N1CCc2sccc2C1 ZINC000575107198 823914595 /nfs/dbraw/zinc/91/45/95/823914595.db2.gz MXSDNEUGKBNWMW-OLZOCXBDSA-N 1 0 380.355 4.003 20 0 GIADRO CC(=O)NCCc1ccc([C@H](C)[NH2+]CCc2cccc(Br)c2)cc1 ZINC000414125146 823914814 /nfs/dbraw/zinc/91/48/14/823914814.db2.gz MIHOLTOXGNZSDI-HNNXBMFYSA-N 1 0 389.337 4.021 20 0 GIADRO CC[C@H](C)n1ncc(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1C1CC1 ZINC000462297937 823915194 /nfs/dbraw/zinc/91/51/94/823915194.db2.gz NGKDXUBVZFWWSB-XGHQBKJUSA-N 1 0 395.551 4.374 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+]CCc2cccc(Br)c2)s1 ZINC000414130422 823915755 /nfs/dbraw/zinc/91/57/55/823915755.db2.gz XAWHOMCIEHFQCW-GFCCVEGCSA-N 1 0 383.355 4.296 20 0 GIADRO COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CCc1cccc(Br)c1 ZINC000414131301 823916322 /nfs/dbraw/zinc/91/63/22/823916322.db2.gz YYTBJDBQNOBFHH-ZDUSSCGKSA-N 1 0 391.309 4.309 20 0 GIADRO COCCOC1(C[NH2+][C@@H]2CCC[C@@H](c3cccc(Cl)c3)C2)CCOCC1 ZINC000414136185 823917085 /nfs/dbraw/zinc/91/70/85/823917085.db2.gz IRIOYJKAYPKMGO-UYAOXDASSA-N 1 0 381.944 4.168 20 0 GIADRO COC(=O)COc1ccccc1[C@@H](C)[NH2+]Cc1ccc(Br)c(C)c1 ZINC000414142166 823917522 /nfs/dbraw/zinc/91/75/22/823917522.db2.gz KFENIYLVZLAMRE-CQSZACIVSA-N 1 0 392.293 4.160 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000126643710 823918421 /nfs/dbraw/zinc/91/84/21/823918421.db2.gz VAZGMZGWMUDDPD-UHFFFAOYSA-N 1 0 377.410 4.089 20 0 GIADRO CC(C)Oc1cccc(C[NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)c1 ZINC000126644535 823918496 /nfs/dbraw/zinc/91/84/96/823918496.db2.gz LONAAVSUVUKKDS-UHFFFAOYSA-N 1 0 378.472 4.287 20 0 GIADRO O=S1(=O)C[C@H](C[NH2+][C@H]2CC[C@H](c3cccc(Cl)c3)C2)c2ccccc21 ZINC000414149550 823918794 /nfs/dbraw/zinc/91/87/94/823918794.db2.gz UVWJCIKITGDWOM-BQFCYCMXSA-N 1 0 375.921 4.137 20 0 GIADRO C[N@H+](CCCOc1ccc(S(C)(=O)=O)cc1)Cc1ccc2ccccc2c1 ZINC000064961760 823918869 /nfs/dbraw/zinc/91/88/69/823918869.db2.gz XCBOQNIVFKSXIF-UHFFFAOYSA-N 1 0 383.513 4.144 20 0 GIADRO O=S1(=O)C[C@H](C[NH2+][C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)c2ccccc21 ZINC000414149555 823918961 /nfs/dbraw/zinc/91/89/61/823918961.db2.gz UVWJCIKITGDWOM-SOLBZPMBSA-N 1 0 375.921 4.137 20 0 GIADRO Brc1cccc([C@H]([NH2+][C@@H]2CCn3ccnc3C2)c2ccccc2)c1 ZINC000414151823 823919131 /nfs/dbraw/zinc/91/91/31/823919131.db2.gz ZFRCDJYRAPBAHO-UYAOXDASSA-N 1 0 382.305 4.340 20 0 GIADRO COc1cc(C[N@@H+]2CC[C@H](c3ccccc3)C2)cc(OC)c1OCC(F)F ZINC000575130939 823919235 /nfs/dbraw/zinc/91/92/35/823919235.db2.gz NDLBDBDFJSHIOH-KRWDZBQOSA-N 1 0 377.431 4.337 20 0 GIADRO C[C@H]([NH2+][C@H]1CCN(C(=O)Cc2ccccc2)C1)c1csc(-c2ccccc2)n1 ZINC000414156001 823919266 /nfs/dbraw/zinc/91/92/66/823919266.db2.gz UILOEGUKNAOYOH-PXNSSMCTSA-N 1 0 391.540 4.304 20 0 GIADRO CC(C)(C)C[C@H]([NH2+]CC1(S(C)(=O)=O)CC1)c1ccc(Br)cc1 ZINC000414155605 823919654 /nfs/dbraw/zinc/91/96/54/823919654.db2.gz TXHCUIIYJVCOFA-HNNXBMFYSA-N 1 0 388.371 4.093 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Nc1cccc(COC(C)C)c1 ZINC000126655864 823920326 /nfs/dbraw/zinc/92/03/26/823920326.db2.gz BRFHGEHBBGMFQZ-UHFFFAOYSA-N 1 0 396.535 4.316 20 0 GIADRO CS(=O)(=O)c1ccc(F)c(C[NH2+][C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)c1 ZINC000414160027 823920650 /nfs/dbraw/zinc/92/06/50/823920650.db2.gz ZBNQEUIIAVFXSW-RHSMWYFYSA-N 1 0 381.900 4.309 20 0 GIADRO COc1ccc([C@@H]2CCCCCN2C(=O)NCc2ccc3c[nH+]cn3c2)cc1 ZINC000575146508 823922962 /nfs/dbraw/zinc/92/29/62/823922962.db2.gz IPZHYSWPVRQHHW-NRFANRHFSA-N 1 0 378.476 4.170 20 0 GIADRO CC(C)(C)[N@H+](CCC(=O)Nc1ccc(N2CCCC2=O)cc1)Cc1ccccc1 ZINC000575147865 823923242 /nfs/dbraw/zinc/92/32/42/823923242.db2.gz OBMSZCAQDDMNOJ-UHFFFAOYSA-N 1 0 393.531 4.443 20 0 GIADRO CCC(=O)Nc1ccc(Cl)c(NC(=O)NCC(C)(C)[NH+]2CCCCC2)c1 ZINC000126672130 823923654 /nfs/dbraw/zinc/92/36/54/823923654.db2.gz LKPOMQCEQNRJBU-UHFFFAOYSA-N 1 0 380.920 4.075 20 0 GIADRO COc1ccc([C@H](CO)C[NH2+][C@@H](C)c2cc(Br)ccc2F)cc1 ZINC000414196717 823925740 /nfs/dbraw/zinc/92/57/40/823925740.db2.gz VXLYTCYXEPYKFI-JSGCOSHPSA-N 1 0 382.273 4.024 20 0 GIADRO Cc1csc(=O)n1CC[N@H+](C)CCCCCc1cc(-c2ccccc2)no1 ZINC000170648573 823926724 /nfs/dbraw/zinc/92/67/24/823926724.db2.gz ZCRZTIWPLFDTTM-UHFFFAOYSA-N 1 0 385.533 4.218 20 0 GIADRO COc1ccc([C@@H](CO)C[NH2+][C@@H](C)c2csc(-c3ccccc3F)n2)cc1 ZINC000414200248 823926897 /nfs/dbraw/zinc/92/68/97/823926897.db2.gz XRBYVOXFYXEWFQ-GOEBONIOSA-N 1 0 386.492 4.385 20 0 GIADRO CCc1cccc2c(CC(=O)N(C)CC3CCN(c4cc[nH+]cc4)CC3)c[nH]c21 ZINC000126686524 823927136 /nfs/dbraw/zinc/92/71/36/823927136.db2.gz BRJNKZHQWZFAFZ-UHFFFAOYSA-N 1 0 390.531 4.043 20 0 GIADRO Cc1cc(-c2nc(-c3cccc(C[NH+]4CCCC4)c3)no2)nc(C(F)(F)F)n1 ZINC000575161374 823927315 /nfs/dbraw/zinc/92/73/15/823927315.db2.gz SJIHGMCHJGWWCA-UHFFFAOYSA-N 1 0 389.381 4.117 20 0 GIADRO COCC[C@@H](C)C[NH2+][C@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000414201817 823927597 /nfs/dbraw/zinc/92/75/97/823927597.db2.gz MIMRQMGPWOSMTN-VXGBXAGGSA-N 1 0 380.838 4.338 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]C2CCC(OC3CCCC3)CC2)c1 ZINC000414204350 823927882 /nfs/dbraw/zinc/92/78/82/823927882.db2.gz BHVNZQMKKBCRFE-UHFFFAOYSA-N 1 0 399.984 4.494 20 0 GIADRO COc1ccc2oc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc3ccccc3OC)c(C)c2c1 ZINC000575162798 823928408 /nfs/dbraw/zinc/92/84/08/823928408.db2.gz LETRCMQFWSAVMP-CABCVRRESA-N 1 0 382.460 4.436 20 0 GIADRO CN(C(=O)CCc1ccc(C(C)(C)C)cc1)C1CC[NH+](C2CCOCC2)CC1 ZINC000065039270 823928640 /nfs/dbraw/zinc/92/86/40/823928640.db2.gz TYCPMCBLNXNLLH-UHFFFAOYSA-N 1 0 386.580 4.019 20 0 GIADRO CCc1nc2c(s1)[C@@H]([NH2+]Cc1cc(Cl)cc(S(=O)(=O)CC)c1)CCC2 ZINC000414209593 823928994 /nfs/dbraw/zinc/92/89/94/823928994.db2.gz LAIZJDSSHGNUQA-HNNXBMFYSA-N 1 0 398.981 4.320 20 0 GIADRO O=C(CCCOc1cccc(Cl)c1Cl)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000575178638 823932473 /nfs/dbraw/zinc/93/24/73/823932473.db2.gz LUHAVIDRNVMEPU-HNNXBMFYSA-N 1 0 385.335 4.001 20 0 GIADRO CSc1ccccc1OC[C@@H](O)C[N@H+](CCc1ncc(C)cc1C)C(C)C ZINC000575177902 823932483 /nfs/dbraw/zinc/93/24/83/823932483.db2.gz DIZZTMCJZVSPGM-IBGZPJMESA-N 1 0 388.577 4.113 20 0 GIADRO CC[C@H]([NH2+]Cc1cnccc1C(C)(C)C)c1ccccc1OCC(=O)N(C)C ZINC000414221617 823932819 /nfs/dbraw/zinc/93/28/19/823932819.db2.gz DJYDFIFLINTGPG-FQEVSTJZSA-N 1 0 383.536 4.087 20 0 GIADRO O=C(Nc1cnn(-c2ccc(Cl)cc2)c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000575181328 823933046 /nfs/dbraw/zinc/93/30/46/823933046.db2.gz HAPJROYACJQXSI-UHFFFAOYSA-N 1 0 387.915 4.008 20 0 GIADRO CC(=O)N1CC[C@@H]([NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)c2ccccc21 ZINC000575180430 823933064 /nfs/dbraw/zinc/93/30/64/823933064.db2.gz VGYAFLMFMQNKCY-JTHBVZDNSA-N 1 0 389.543 4.271 20 0 GIADRO CC[NH+](CC)Cc1cc([C@@H](C)Nc2cccc3c2CN(C)C3=O)ccc1OC ZINC000414223762 823933335 /nfs/dbraw/zinc/93/33/35/823933335.db2.gz KSMFCJNEKJYBCW-MRXNPFEDSA-N 1 0 381.520 4.296 20 0 GIADRO C[C@H]1[C@@H](c2ccc(Br)cc2)OCC[N@@H+]1CCCc1ccncc1 ZINC000462346122 823933416 /nfs/dbraw/zinc/93/34/16/823933416.db2.gz CGNIOFSNMLHNIS-KXBFYZLASA-N 1 0 375.310 4.239 20 0 GIADRO C[C@H]1[C@H](c2ccc(Br)cc2)OCC[N@@H+]1CCCc1ccncc1 ZINC000462346121 823933493 /nfs/dbraw/zinc/93/34/93/823933493.db2.gz CGNIOFSNMLHNIS-HNAYVOBHSA-N 1 0 375.310 4.239 20 0 GIADRO COc1ccc([C@H](C)Nc2cccc3c2CN(C)C3=O)cc1C[NH+]1CCCCC1 ZINC000414233330 823935037 /nfs/dbraw/zinc/93/50/37/823935037.db2.gz XUVOIXMRLIQZFT-KRWDZBQOSA-N 1 0 393.531 4.440 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@H]2CCc3c2cccc3Br)cn1 ZINC000414236609 823936168 /nfs/dbraw/zinc/93/61/68/823936168.db2.gz ALNKHCNQESCYHH-FASAQXTFSA-N 1 0 390.325 4.020 20 0 GIADRO C[C@H](CCNC(=O)Nc1c(F)cc(F)cc1Br)[NH+]1CCCCC1 ZINC000192293351 823936743 /nfs/dbraw/zinc/93/67/43/823936743.db2.gz LVFGIUBSXVEVQN-LLVKDONJSA-N 1 0 390.272 4.113 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@@H](C)c2ccc(F)cc2OC(F)F)cn1 ZINC000414239492 823936953 /nfs/dbraw/zinc/93/69/53/823936953.db2.gz CXSBRIHIOFBCJY-ZJNRKIDTSA-N 1 0 383.414 4.072 20 0 GIADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC3c4ccccc4C2c2ccccc23)C1 ZINC000575200840 823937188 /nfs/dbraw/zinc/93/71/88/823937188.db2.gz LSCFQXJJNNOPQC-PSGXIZKFSA-N 1 0 395.568 4.229 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@H](C)c2ccc(F)cc2OC(F)F)cn1 ZINC000414239489 823937225 /nfs/dbraw/zinc/93/72/25/823937225.db2.gz CXSBRIHIOFBCJY-FHSNZYRGSA-N 1 0 383.414 4.072 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@H](C)Cc2ccc(C(F)(F)F)cc2)cn1 ZINC000414241281 823937504 /nfs/dbraw/zinc/93/75/04/823937504.db2.gz FUUILDZIHSUMKU-SIXWZSSISA-N 1 0 381.442 4.220 20 0 GIADRO Cc1c(C(=O)Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)oc2c1c(C)ccc2C ZINC000575202776 823938058 /nfs/dbraw/zinc/93/80/58/823938058.db2.gz ASZXLNDDCCOUPH-IBGZPJMESA-N 1 0 378.472 4.177 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@@H](C)[C@@H](C)c2nc3ccccc3s2)cn1 ZINC000414244220 823938740 /nfs/dbraw/zinc/93/87/40/823938740.db2.gz KVNKGNJRGMOAQN-NARAOEGZSA-N 1 0 384.549 4.372 20 0 GIADRO CC[NH+](CC)CC(=O)Nc1cccc(N[C@@H](C)c2ccc(OC)c(OC)c2)c1 ZINC000575206016 823939345 /nfs/dbraw/zinc/93/93/45/823939345.db2.gz AUQMQWLGRUDWFU-INIZCTEOSA-N 1 0 385.508 4.157 20 0 GIADRO O=C(c1cc(-c2ccccc2)nc2cc(F)ccc21)N1CC[NH+](CC2CC2)CC1 ZINC000065088211 823939961 /nfs/dbraw/zinc/93/99/61/823939961.db2.gz XBQUEWQTEHJXLN-UHFFFAOYSA-N 1 0 389.474 4.209 20 0 GIADRO Nc1c(Cl)cc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1Cl ZINC000192302427 823940474 /nfs/dbraw/zinc/94/04/74/823940474.db2.gz JFYHAYFFUREUOP-BDJLRTHQSA-N 1 0 383.323 4.056 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@H](C)c2sc(-c3cccnc3)nc2C)cn1 ZINC000414249565 823940821 /nfs/dbraw/zinc/94/08/21/823940821.db2.gz QMKUMSSDTVFSEN-SIXWZSSISA-N 1 0 397.548 4.158 20 0 GIADRO OCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000575213838 823941035 /nfs/dbraw/zinc/94/10/35/823941035.db2.gz NIENKZAUGYQFIK-BJOOFOGMSA-N 1 0 377.326 4.449 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1ccc(Cl)cc1Cl ZINC000126749028 823941230 /nfs/dbraw/zinc/94/12/30/823941230.db2.gz GBLHKMSNPFBSDU-UHFFFAOYSA-N 1 0 378.303 4.377 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@@H](C)CC(=O)Nc2ccccc2C(C)C)cn1 ZINC000414252877 823941626 /nfs/dbraw/zinc/94/16/26/823941626.db2.gz SYFCXORDOKFKPU-IUKKYPGJSA-N 1 0 398.551 4.111 20 0 GIADRO CC(C)(CC[NH2+][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000414252507 823941691 /nfs/dbraw/zinc/94/16/91/823941691.db2.gz HSSKRYXDSDCRAV-JKSUJKDBSA-N 1 0 377.472 4.144 20 0 GIADRO FC(F)COc1cc(-c2noc(-c3ccc(C[NH+]4CCCC4)cc3)n2)ccn1 ZINC000575216823 823941963 /nfs/dbraw/zinc/94/19/63/823941963.db2.gz QFAUZUWZDTULKD-UHFFFAOYSA-N 1 0 386.402 4.038 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@@H](C)Cc2cccc(C(F)(F)F)c2)cn1 ZINC000414259653 823944372 /nfs/dbraw/zinc/94/43/72/823944372.db2.gz YGHIOBNVUSXYGE-URLQWDBASA-N 1 0 381.442 4.220 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@H](C)c2oc3ccc(OC)cc3c2C)cn1 ZINC000414261219 823944711 /nfs/dbraw/zinc/94/47/11/823944711.db2.gz ZFWINLVBETYIEG-ZMPRRUGASA-N 1 0 383.492 4.395 20 0 GIADRO CC[C@H]([NH2+][C@H](C)c1ccc(OC)c(O)c1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000575222024 823944907 /nfs/dbraw/zinc/94/49/07/823944907.db2.gz LWPGQGCMRRNYCQ-GTCCEBARSA-N 1 0 380.492 4.020 20 0 GIADRO CC[C@@H](c1nc(COc2cccc(C(=O)OC)c2)no1)N(C)Cc1ccccc1 ZINC000575225212 823945967 /nfs/dbraw/zinc/94/59/67/823945967.db2.gz DMCKEIJJZXGUKN-IBGZPJMESA-N 1 0 395.459 4.018 20 0 GIADRO C[C@H]([NH2+]CCC(C)(C)S(C)(=O)=O)c1cc2cc(Br)ccc2o1 ZINC000414267311 823946433 /nfs/dbraw/zinc/94/64/33/823946433.db2.gz STCPYUBNKMWJMF-NSHDSACASA-N 1 0 388.327 4.059 20 0 GIADRO Cn1cc([C@@H]2OCC[C@H]2C[NH2+][C@H](Cc2cccnc2)c2cccc(Cl)c2)cn1 ZINC000414268210 823946950 /nfs/dbraw/zinc/94/69/50/823946950.db2.gz JOCBXSYNOKMKNM-VLCRHTCISA-N 1 0 396.922 4.120 20 0 GIADRO CS(=O)(=O)Cc1ccccc1C[NH2+][C@H]1CCCOc2cc3c(cc21)CCCC3 ZINC000126772349 823947517 /nfs/dbraw/zinc/94/75/17/823947517.db2.gz HCDMEXOCGPQREQ-QFIPXVFZSA-N 1 0 399.556 4.114 20 0 GIADRO Cc1oc(-c2ccsc2)nc1CC(=O)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000170704758 823947815 /nfs/dbraw/zinc/94/78/15/823947815.db2.gz YDYNBBCYASXKEH-GOSISDBHSA-N 1 0 393.512 4.265 20 0 GIADRO c1c(C[NH2+]C[C@H]2NCCc3ccccc32)c(-c2ccccn2)nn1C1CCCC1 ZINC000575233369 823948083 /nfs/dbraw/zinc/94/80/83/823948083.db2.gz RHESYPLRMPNZSP-HSZRJFAPSA-N 1 0 387.531 4.037 20 0 GIADRO C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CC(C)(C)[C@@H]1c1cccnc1)c1ccccc1 ZINC000575235736 823948645 /nfs/dbraw/zinc/94/86/45/823948645.db2.gz UTNIAWQHOKDDLS-XLIONFOSSA-N 1 0 380.536 4.304 20 0 GIADRO COCCCN(C(=O)Cc1coc2ccc3ccccc3c12)C1CC[NH+](C)CC1 ZINC000575239958 823949683 /nfs/dbraw/zinc/94/96/83/823949683.db2.gz ALTOAJCWLOROHK-UHFFFAOYSA-N 1 0 394.515 4.088 20 0 GIADRO C[C@H]([NH2+]CC(C)(C)OCC1CC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000414279340 823950361 /nfs/dbraw/zinc/95/03/61/823950361.db2.gz ZXHSXDOTWMASLE-INIZCTEOSA-N 1 0 379.566 4.259 20 0 GIADRO Cc1nc2ccccc2c(C)c1CC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000065142457 823951365 /nfs/dbraw/zinc/95/13/65/823951365.db2.gz YJXYLPUWDHMKFO-CALCHBBNSA-N 1 0 381.564 4.267 20 0 GIADRO Cc1cc(C[NH2+]Cc2cccc(NC(=O)[C@H]3CCCO3)c2)ccc1C(F)(F)F ZINC000414306360 823954709 /nfs/dbraw/zinc/95/47/09/823954709.db2.gz OCUFHFZURMYTQR-LJQANCHMSA-N 1 0 392.421 4.421 20 0 GIADRO Cc1ccc2nc(C)c(C(=O)N(Cc3ccccn3)[C@H]3CCC[NH2+]CC3)cc2c1 ZINC000575319985 823954751 /nfs/dbraw/zinc/95/47/51/823954751.db2.gz JSCZDDBQYBYZSV-NRFANRHFSA-N 1 0 388.515 4.031 20 0 GIADRO O=C1CC[C@@H](c2cccc(N[C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)c2)N1 ZINC000414310430 823955924 /nfs/dbraw/zinc/95/59/24/823955924.db2.gz HNEIIPUSLKDSTL-BJESRGMDSA-N 1 0 375.516 4.245 20 0 GIADRO CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000414323963 823958330 /nfs/dbraw/zinc/95/83/30/823958330.db2.gz WIUOSFKRUJDEPG-KKSFZXQISA-N 1 0 397.494 4.061 20 0 GIADRO CC(C)(C)[C@H]1CC[N@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C[C@H]1O ZINC000575338159 823958590 /nfs/dbraw/zinc/95/85/90/823958590.db2.gz MHSQKTSBGDDWAO-PZJWPPBQSA-N 1 0 382.552 4.289 20 0 GIADRO OC[C@@H]1CCC[C@@H]([NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000414328791 823959211 /nfs/dbraw/zinc/95/92/11/823959211.db2.gz CPLWHGAMQYBRSW-ZMYBRWDISA-N 1 0 382.342 4.058 20 0 GIADRO Cc1nc(-c2cc([C@@H](C)[NH2+]CC3(CS(C)(=O)=O)CCC3)cs2)cs1 ZINC000414330651 823959680 /nfs/dbraw/zinc/95/96/80/823959680.db2.gz QAOZXBSPDMKWJP-GFCCVEGCSA-N 1 0 384.592 4.046 20 0 GIADRO C[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000414336882 823960664 /nfs/dbraw/zinc/96/06/64/823960664.db2.gz HXOZXTZASNAXPJ-JTQLQIEISA-N 1 0 378.346 4.179 20 0 GIADRO CC[C@H](CSc1ccc(Cl)cc1)[NH2+][C@@H]1CCC[C@H]2CN(C(C)=O)C[C@@H]21 ZINC000575356684 823961652 /nfs/dbraw/zinc/96/16/52/823961652.db2.gz PFJQLHDWVZSDGX-MFHCWRBVSA-N 1 0 380.985 4.447 20 0 GIADRO C[C@H](CC1CCOCC1)[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000414349986 823962751 /nfs/dbraw/zinc/96/27/51/823962751.db2.gz KRMKPTJNBSBXCB-MRXNPFEDSA-N 1 0 395.385 4.208 20 0 GIADRO COCC[C@@H]1CCC[C@H]1[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000414351816 823962885 /nfs/dbraw/zinc/96/28/85/823962885.db2.gz OKSCQRQLZVNTQV-FXAWDEMLSA-N 1 0 395.385 4.208 20 0 GIADRO O=C(N[C@H](c1cc2ccccc2o1)c1ccccc1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000170757993 823963361 /nfs/dbraw/zinc/96/33/61/823963361.db2.gz SFHCGMUSNXOGLK-OFNKIYASSA-N 1 0 389.499 4.402 20 0 GIADRO CC[C@@H](CSc1ccc(C)c(C)c1)[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000414363146 823965886 /nfs/dbraw/zinc/96/58/86/823965886.db2.gz GHTOHNVKRLAZBB-HNNXBMFYSA-N 1 0 383.604 4.429 20 0 GIADRO COc1cc(NC(=O)CC[NH2+]C(C2CCC2)C2CCC2)c(OC)cc1Cl ZINC000575379210 823966594 /nfs/dbraw/zinc/96/65/94/823966594.db2.gz ZDTDFSOGCJXSDA-UHFFFAOYSA-N 1 0 380.916 4.244 20 0 GIADRO C[C@H]([NH2+]C[C@@H]1CCCN(Cc2cccs2)C1)c1ccc(-n2ccnc2)cc1 ZINC000126852638 823966760 /nfs/dbraw/zinc/96/67/60/823966760.db2.gz AWXDWRIZQIDATI-OALUTQOASA-N 1 0 380.561 4.497 20 0 GIADRO COC(=O)[C@@H](C)[N@H+](CCC(=O)Nc1ccccc1-c1ccccc1)C1CCC1 ZINC000192386384 823967414 /nfs/dbraw/zinc/96/74/14/823967414.db2.gz MEUVOLXBAJLJAO-QGZVFWFLSA-N 1 0 380.488 4.098 20 0 GIADRO C[N@@H+]1CCC[C@@H]1CCSc1nnc(-c2ccc(F)cc2)n1Cc1ccco1 ZINC000126859339 823968662 /nfs/dbraw/zinc/96/86/62/823968662.db2.gz IATATGCBIHTXCV-QGZVFWFLSA-N 1 0 386.496 4.302 20 0 GIADRO FC(F)(F)CN1CCC([NH2+]Cc2ccc(Cl)cc2Br)CC1 ZINC000575457263 823972575 /nfs/dbraw/zinc/97/25/75/823972575.db2.gz NPFBEJJYSLBROE-UHFFFAOYSA-N 1 0 385.655 4.219 20 0 GIADRO Cc1cc2cc(C(=O)N(C)CC3CCN(c4cc[nH+]cc4)CC3)oc2cc1C ZINC000126878140 823972707 /nfs/dbraw/zinc/97/27/07/823972707.db2.gz NMFGIDQBBHADBM-UHFFFAOYSA-N 1 0 377.488 4.433 20 0 GIADRO Cc1nc(-c2ccc([C@H](C)NC(=O)[C@@]3(c4ccccc4)CC[NH2+]C3)cc2)cs1 ZINC000575477428 823973664 /nfs/dbraw/zinc/97/36/64/823973664.db2.gz OSMYIKRDTOXSFJ-HJPURHCSSA-N 1 0 391.540 4.227 20 0 GIADRO C[C@H]([NH2+]CCNC(=O)c1ccccc1Cl)c1ccc(Br)cc1F ZINC000126895462 823975854 /nfs/dbraw/zinc/97/58/54/823975854.db2.gz AUFLGFOIKBBSKG-NSHDSACASA-N 1 0 399.691 4.322 20 0 GIADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc(-c2ccccc2C(F)(F)F)on1 ZINC000462440809 823976376 /nfs/dbraw/zinc/97/63/76/823976376.db2.gz MLXFEENOERUBDV-CXAGYDPISA-N 1 0 393.409 4.059 20 0 GIADRO Cc1nc2ccc(NC(=O)c3ccc(C[NH+]4CCC(CO)CC4)cc3)cc2s1 ZINC000126900180 823976633 /nfs/dbraw/zinc/97/66/33/823976633.db2.gz MEMRNKXPUMCTBK-UHFFFAOYSA-N 1 0 395.528 4.061 20 0 GIADRO O=C(c1cccnc1SCc1ccc(F)cc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000126899313 823976734 /nfs/dbraw/zinc/97/67/34/823976734.db2.gz JUIFLFWZZNLWGK-SFHVURJKSA-N 1 0 399.535 4.071 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)N2CC3(CCOCC3)[C@H]2c2ccccc2)c1 ZINC000414416204 823977192 /nfs/dbraw/zinc/97/71/92/823977192.db2.gz WHUOQXBEOFAVCI-OAQYLSRUSA-N 1 0 379.504 4.134 20 0 GIADRO COCCOCc1ccc(C[N@@H+]2CCC[C@H]2c2nc3ccccc3n2C)cc1 ZINC000575586937 823978111 /nfs/dbraw/zinc/97/81/11/823978111.db2.gz HQSQWURXTHMEFY-QFIPXVFZSA-N 1 0 379.504 4.073 20 0 GIADRO CC(=O)c1cccc(OC[C@H](O)C[N@@H+](CC(C)C)[C@@H]2CCCc3cccnc32)c1 ZINC000126909757 823978576 /nfs/dbraw/zinc/97/85/76/823978576.db2.gz WKWBSSXXSPBSBN-FYYLOGMGSA-N 1 0 396.531 4.060 20 0 GIADRO CC(C)Cc1nc(C(=O)N(C)c2ccc(OCC[NH+]3CCCC3)cc2)cs1 ZINC000126917179 823980100 /nfs/dbraw/zinc/98/01/00/823980100.db2.gz LNPARGHGVQJCJM-UHFFFAOYSA-N 1 0 387.549 4.093 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N3CCC(F)(F)[C@@H](C)C3)cc2)C1 ZINC000575633438 823980882 /nfs/dbraw/zinc/98/08/82/823980882.db2.gz LXCSTGHHCVRQPE-KSZLIROESA-N 1 0 393.522 4.351 20 0 GIADRO C[C@H](O)[C@@](C)(C[NH2+][C@@H](C)c1ccc(Br)cn1)Cc1ccccc1 ZINC000575651493 823981787 /nfs/dbraw/zinc/98/17/87/823981787.db2.gz JKYUAJIRRXZCHR-YZVOILCLSA-N 1 0 377.326 4.125 20 0 GIADRO CCc1ncc(C[NH2+][C@@H]2CCN(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)cn1 ZINC000414426549 823982436 /nfs/dbraw/zinc/98/24/36/823982436.db2.gz HKSUPMUQAAGTSJ-QUCCMNQESA-N 1 0 376.907 4.145 20 0 GIADRO CCc1ncc(C[NH2+][C@H]2CCN(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)cn1 ZINC000414426547 823982511 /nfs/dbraw/zinc/98/25/11/823982511.db2.gz HKSUPMUQAAGTSJ-AZUAARDMSA-N 1 0 376.907 4.145 20 0 GIADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000192421369 823983824 /nfs/dbraw/zinc/98/38/24/823983824.db2.gz FAFGGFZYFFOORM-UHFFFAOYSA-N 1 0 385.270 4.123 20 0 GIADRO COc1cccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c1 ZINC000575751130 823985881 /nfs/dbraw/zinc/98/58/81/823985881.db2.gz KNABFTWOEXATJL-LUKWVAJMSA-N 1 0 394.515 4.000 20 0 GIADRO Cc1cc(C[N@@H+]2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)ccc1C(F)(F)F ZINC000414447215 823986862 /nfs/dbraw/zinc/98/68/62/823986862.db2.gz ZJDJNPZXRABJRS-AWEZNQCLSA-N 1 0 396.375 4.294 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)CCCc1ccc(Cl)cc1 ZINC000126947695 823987163 /nfs/dbraw/zinc/98/71/63/823987163.db2.gz ZWNKMXYHGDZDDV-UHFFFAOYSA-N 1 0 385.939 4.433 20 0 GIADRO Cc1nn(-c2cccc(F)c2)cc1C[NH+]1CCC(Oc2ccncc2C)CC1 ZINC000414450624 823987569 /nfs/dbraw/zinc/98/75/69/823987569.db2.gz YFPVZZUPPYBJBD-UHFFFAOYSA-N 1 0 380.467 4.067 20 0 GIADRO Cc1nc(COc2ccc(C[N@@H+]3CC[C@@H](Cc4ccc(F)cc4)C3)cc2)no1 ZINC000126960678 823990002 /nfs/dbraw/zinc/99/00/02/823990002.db2.gz XJCSVINLUVSHQN-IBGZPJMESA-N 1 0 381.451 4.161 20 0 GIADRO FC(F)(F)c1ccc(-c2n[nH]cc2C[NH+]2CCC(c3ccncn3)CC2)cc1 ZINC000414467259 823990862 /nfs/dbraw/zinc/99/08/62/823990862.db2.gz DGSQNPKFFSZOFF-UHFFFAOYSA-N 1 0 387.409 4.265 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]Cc2ccc(OC(C)C)cc2)c1 ZINC000414484207 823992889 /nfs/dbraw/zinc/99/28/89/823992889.db2.gz PKUVBXAPTOJJTO-UHFFFAOYSA-N 1 0 381.925 4.211 20 0 GIADRO Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+]Cc1ccc(C)c2ccccc12 ZINC000414488326 823993476 /nfs/dbraw/zinc/99/34/76/823993476.db2.gz WMESENWXMBZWMC-UHFFFAOYSA-N 1 0 379.504 4.203 20 0 GIADRO COc1cc(CNc2ccc(C[NH+](C)C)cc2F)ccc1OCC(F)(F)F ZINC000414487054 823993715 /nfs/dbraw/zinc/99/37/15/823993715.db2.gz LZKLUPRXICDINM-UHFFFAOYSA-N 1 0 386.389 4.449 20 0 GIADRO CCc1nc(CN2CCC(C[NH2+][C@@H]3CCc4c(cccc4OC)C3)CC2)cs1 ZINC000192442350 823994536 /nfs/dbraw/zinc/99/45/36/823994536.db2.gz DNNOOSOCTILEMD-LJQANCHMSA-N 1 0 399.604 4.073 20 0 GIADRO CC(C)(C)c1ccncc1C[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000414493916 823994739 /nfs/dbraw/zinc/99/47/39/823994739.db2.gz CSELYNJSLMEXRK-UHFFFAOYSA-N 1 0 391.309 4.203 20 0 GIADRO C[NH+](C)C[C@@H]1CCN(C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)C1 ZINC000126985211 823995002 /nfs/dbraw/zinc/99/50/02/823995002.db2.gz PHTJLNGKOWBDDV-INIZCTEOSA-N 1 0 387.911 4.334 20 0 GIADRO CC(=O)c1ccc(Oc2ccc(C(=O)N[C@@H]3CCC[C@H]([NH+](C)C)C3)cc2)cc1 ZINC000126988783 823995355 /nfs/dbraw/zinc/99/53/55/823995355.db2.gz OMIYDYNEMLHUSU-UXHICEINSA-N 1 0 380.488 4.284 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]CCCCOc2ccccc2)c1 ZINC000414499399 823996565 /nfs/dbraw/zinc/99/65/65/823996565.db2.gz YSPAAUJIMWPXII-UHFFFAOYSA-N 1 0 381.925 4.082 20 0 GIADRO c1ccc(C[N@H+]2CC[C@H]3CN(Cc4cnc(-c5ccccc5)nc4)C[C@H]3C2)cc1 ZINC000575790625 823997016 /nfs/dbraw/zinc/99/70/16/823997016.db2.gz PZPFTZLQCZTKMR-BJKOFHAPSA-N 1 0 384.527 4.098 20 0 GIADRO CCCOc1c(Br)cc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H]2C)cc1OC ZINC000414508256 823998040 /nfs/dbraw/zinc/99/80/40/823998040.db2.gz AYFCKQKUYAXADP-NFAWXSAZSA-N 1 0 386.330 4.150 20 0 GIADRO O=C(NCc1ccc(Cl)cc1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000575795976 823998693 /nfs/dbraw/zinc/99/86/93/823998693.db2.gz WVHKPYGAHHOQIJ-UXHICEINSA-N 1 0 383.923 4.004 20 0 GIADRO COCC1CCC([NH2+]Cc2cccc(NC(=O)c3ccc(OC)cc3)c2)CC1 ZINC000414516293 823999731 /nfs/dbraw/zinc/99/97/31/823999731.db2.gz WRRPOMANIVYHGL-UHFFFAOYSA-N 1 0 382.504 4.242 20 0 GIADRO CC(C)[NH+]1CCC(NC(=O)NC2(c3ccc(Br)cc3)CCC2)CC1 ZINC000170882790 823999886 /nfs/dbraw/zinc/99/98/86/823999886.db2.gz MMJKRDKWELFDII-UHFFFAOYSA-N 1 0 394.357 4.000 20 0 GIADRO CC(C)n1nccc1NC(=O)[C@H](C)[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000192462998 824000436 /nfs/dbraw/zinc/00/04/36/824000436.db2.gz NKCNZKUTSHKBDO-WFASDCNBSA-N 1 0 378.929 4.271 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc3c(cc2Br)CCC3)[C@H](C)C1 ZINC000192464126 824000824 /nfs/dbraw/zinc/00/08/24/824000824.db2.gz HBVJYCMCECLLOW-FZKQIMNGSA-N 1 0 394.357 4.132 20 0 GIADRO Cc1cnc2cc(C(=O)N3CCC(C(=O)c4ccc(Cl)cc4)CC3)ccn12 ZINC000575811773 824001872 /nfs/dbraw/zinc/00/18/72/824001872.db2.gz BHADDMQIFDQQHX-UHFFFAOYSA-N 1 0 381.863 4.031 20 0 GIADRO Fc1ccc(OCc2noc([C@@H]3CCC[N@H+](CCc4ccccc4)C3)n2)cc1 ZINC000575815905 824002574 /nfs/dbraw/zinc/00/25/74/824002574.db2.gz JFORGRYOWUTQOV-GOSISDBHSA-N 1 0 381.451 4.210 20 0 GIADRO COc1cc(C[NH2+][C@H](C)C2(OC)CCC2)cc(Br)c1OC(F)F ZINC000414530489 824002848 /nfs/dbraw/zinc/00/28/48/824002848.db2.gz XRDXFYLANLEZPC-SNVBAGLBSA-N 1 0 394.256 4.106 20 0 GIADRO CC[C@@H](C)[N@H+](CCc1ccccn1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000192470770 824003590 /nfs/dbraw/zinc/00/35/90/824003590.db2.gz WRTOYBXJSVPWLI-OAHLLOKOSA-N 1 0 379.426 4.382 20 0 GIADRO Cc1ccc(CCCC(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)cc1 ZINC000127030405 824003662 /nfs/dbraw/zinc/00/36/62/824003662.db2.gz TXLGXLCYYTYGPA-UHFFFAOYSA-N 1 0 380.532 4.161 20 0 GIADRO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@@H+]1CC2(CCOCC2)[C@H]1C(C)C ZINC000414537399 824004748 /nfs/dbraw/zinc/00/47/48/824004748.db2.gz YXSAGHLUPYCDOV-OAQYLSRUSA-N 1 0 389.490 4.404 20 0 GIADRO Cc1ccccc1OCCCC(=O)Nc1ccc(C[NH2+][C@H]2CCOC[C@H]2C)cc1 ZINC000192478854 824006832 /nfs/dbraw/zinc/00/68/32/824006832.db2.gz HZHWGGYJLOMUBT-KNQAVFIVSA-N 1 0 396.531 4.307 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccc2c(c1)CCCC2 ZINC000127049965 824007161 /nfs/dbraw/zinc/00/71/61/824007161.db2.gz AAIGISLRCALYNG-UHFFFAOYSA-N 1 0 378.516 4.022 20 0 GIADRO COc1ccc(-c2nc(C)c([C@H](C)NC(=O)[C@](C)([NH3+])c3ccccc3)s2)cc1 ZINC000192480702 824007334 /nfs/dbraw/zinc/00/73/34/824007334.db2.gz OUXFOIRLGWUSBO-OYHNWAKOSA-N 1 0 395.528 4.178 20 0 GIADRO CCN(c1ccccc1)c1ccc(C[NH2+]Cc2cc(C(=O)OC)n(C)c2)cc1 ZINC000575837314 824008230 /nfs/dbraw/zinc/00/82/30/824008230.db2.gz UXOMAYMYKHXJRL-UHFFFAOYSA-N 1 0 377.488 4.260 20 0 GIADRO CC[C@H](C)Oc1ccccc1/C=C/C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000170934449 824008654 /nfs/dbraw/zinc/00/86/54/824008654.db2.gz FASIFURWGQPTCR-SGQUHAKNSA-N 1 0 393.531 4.053 20 0 GIADRO CSc1ccccc1OC[C@@H](O)C[N@H+](Cc1cc2cccnc2o1)C(C)C ZINC000414552580 824010302 /nfs/dbraw/zinc/01/03/02/824010302.db2.gz KLZIRLNNMHEJAT-KRWDZBQOSA-N 1 0 386.517 4.200 20 0 GIADRO COc1ccc(OCc2ccccn2)c(C[NH2+]CC(C)(C)c2cccnc2)c1 ZINC000414554596 824010562 /nfs/dbraw/zinc/01/05/62/824010562.db2.gz HFGWFNRYOJNTON-UHFFFAOYSA-N 1 0 377.488 4.132 20 0 GIADRO CC(=O)N(c1nc(C[NH2+]CC(C)(C)c2cccnc2)cs1)c1ccc(F)cc1 ZINC000414556322 824011320 /nfs/dbraw/zinc/01/13/20/824011320.db2.gz JXQCDGCDUZJJEL-UHFFFAOYSA-N 1 0 398.507 4.429 20 0 GIADRO CC[C@H](Oc1ccccc1Cl)C(=O)Nc1cc(C[NH+](C)C)ccc1OC ZINC000575851162 824012412 /nfs/dbraw/zinc/01/24/12/824012412.db2.gz IELYFTDYBFMBCL-KRWDZBQOSA-N 1 0 376.884 4.206 20 0 GIADRO O=C(N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2)C1CC[NH+](C2CC2)CC1 ZINC000192500696 824012596 /nfs/dbraw/zinc/01/25/96/824012596.db2.gz KYMVBOSGMHGMFG-XMMPIXPASA-N 1 0 390.527 4.092 20 0 GIADRO CS(=O)(=O)CC1(C[NH2+]C/C=C\c2ccc(OCc3ccccc3)cc2)CCC1 ZINC000414560043 824012670 /nfs/dbraw/zinc/01/26/70/824012670.db2.gz VZYQECJVIASGRO-UITAMQMPSA-N 1 0 399.556 4.083 20 0 GIADRO CC[C@H](Sc1ccccc1)C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000127084651 824014206 /nfs/dbraw/zinc/01/42/06/824014206.db2.gz ODTIYZDNFXOMIB-QFIPXVFZSA-N 1 0 398.572 4.400 20 0 GIADRO Cc1nc2c(F)cccc2cc1C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000575872671 824017034 /nfs/dbraw/zinc/01/70/34/824017034.db2.gz UIYIGQLOFFJEAK-IBGZPJMESA-N 1 0 379.435 4.320 20 0 GIADRO Cc1nc(NC(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)sc1C(F)(F)F ZINC000575884552 824019665 /nfs/dbraw/zinc/01/96/65/824019665.db2.gz JIZQWESSEZASGH-OCCSQVGLSA-N 1 0 398.454 4.427 20 0 GIADRO Cc1nc2ccccc2c(C)c1CC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000192530001 824021101 /nfs/dbraw/zinc/02/11/01/824021101.db2.gz USTMNPKHEWSTET-UHFFFAOYSA-N 1 0 391.515 4.110 20 0 GIADRO CC(C)c1ccc([C@H](NC(=O)C(=O)Nc2ccc([C@H](C)[NH3+])cc2)C(C)C)cc1 ZINC000414668318 824022121 /nfs/dbraw/zinc/02/21/21/824022121.db2.gz ZZRWHTLTEQBPDB-HRAATJIYSA-N 1 0 381.520 4.282 20 0 GIADRO O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)[C@H]1CCCc2cccnc21 ZINC000192536240 824023307 /nfs/dbraw/zinc/02/33/07/824023307.db2.gz FIMMZVCDGOONST-FQEVSTJZSA-N 1 0 397.950 4.183 20 0 GIADRO CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H](CC(C)(C)C)c2ccccc2)c1 ZINC000414691636 824024051 /nfs/dbraw/zinc/02/40/51/824024051.db2.gz JZWZSGXTPYJMEV-FQEVSTJZSA-N 1 0 381.520 4.028 20 0 GIADRO CC[NH+](CC)CCOc1ccc(-c2noc(C3(SC)CCC3)n2)cc1OC ZINC000575904062 824024988 /nfs/dbraw/zinc/02/49/88/824024988.db2.gz OAIZQAQAYFMWRO-UHFFFAOYSA-N 1 0 391.537 4.208 20 0 GIADRO Cc1ccc(NC(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)c(Br)c1 ZINC000414707227 824025198 /nfs/dbraw/zinc/02/51/98/824025198.db2.gz YQUJWWQDRHZBTN-RHSMWYFYSA-N 1 0 380.330 4.144 20 0 GIADRO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000127142676 824025567 /nfs/dbraw/zinc/02/55/67/824025567.db2.gz CPZMSNOMTQMUPW-YJYMSZOUSA-N 1 0 379.426 4.109 20 0 GIADRO COC(=O)Nc1ccc(C(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000192543102 824026303 /nfs/dbraw/zinc/02/63/03/824026303.db2.gz IBYUCNMSODERDL-INIZCTEOSA-N 1 0 381.476 4.349 20 0 GIADRO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N(C)[C@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000414723111 824026987 /nfs/dbraw/zinc/02/69/87/824026987.db2.gz BCJGAKWLTLGVLD-VXGBXAGGSA-N 1 0 394.302 4.171 20 0 GIADRO Cc1cccc(Oc2ccccc2NC(=O)N2CCC(OCCC[NH3+])CC2)c1 ZINC000414722337 824027048 /nfs/dbraw/zinc/02/70/48/824027048.db2.gz FLRCFCYGUVPLSO-UHFFFAOYSA-N 1 0 383.492 4.149 20 0 GIADRO CCOc1ccc(Oc2ccccc2NC(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000414722276 824027195 /nfs/dbraw/zinc/02/71/95/824027195.db2.gz FBVPYABKONTQFE-IAGOWNOFSA-N 1 0 383.492 4.469 20 0 GIADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)C1 ZINC000414723511 824027551 /nfs/dbraw/zinc/02/75/51/824027551.db2.gz CEVDVGMIXBFVLP-GOEBONIOSA-N 1 0 380.517 4.088 20 0 GIADRO CCOc1ccc(Oc2ccc(NC(=O)N3CC[C@@]4(CC[NH2+]C4)C3)cc2)cc1 ZINC000414724239 824027924 /nfs/dbraw/zinc/02/79/24/824027924.db2.gz JRRZGDAZARHPCE-JOCHJYFZSA-N 1 0 381.476 4.095 20 0 GIADRO CCN(CC)C(=O)c1ccc(NC(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)cc1 ZINC000414725316 824028310 /nfs/dbraw/zinc/02/83/10/824028310.db2.gz VUFVKMTWDJBDGG-NRFANRHFSA-N 1 0 396.535 4.114 20 0 GIADRO COc1ccc(Oc2ccc(Cl)cc2NC(=O)N2CC[C@H]([NH3+])[C@@H]2C)cc1 ZINC000414726454 824028355 /nfs/dbraw/zinc/02/83/55/824028355.db2.gz NWSWRTNKYDBGKD-LRDDRELGSA-N 1 0 375.856 4.094 20 0 GIADRO C[C@]1(C[NH3+])CCN(C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)C1 ZINC000414728076 824028821 /nfs/dbraw/zinc/02/88/21/824028821.db2.gz BYTWOMUUPFBQCL-QGZVFWFLSA-N 1 0 399.347 4.243 20 0 GIADRO C[NH2+][C@@H]1CCCN(C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)C1 ZINC000414729878 824029148 /nfs/dbraw/zinc/02/91/48/824029148.db2.gz FZXCCBWVMJXRPT-GFCCVEGCSA-N 1 0 399.347 4.256 20 0 GIADRO O=C(NCCC[NH2+]C1CC1)Nc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000414728342 824029251 /nfs/dbraw/zinc/02/92/51/824029251.db2.gz OUYRNGMMSHVURH-UHFFFAOYSA-N 1 0 380.517 4.151 20 0 GIADRO [NH3+]C[C@H]1CC[C@H](NC(=O)Nc2ncc(Cc3ccc(C(F)(F)F)cc3)s2)C1 ZINC000414730322 824029653 /nfs/dbraw/zinc/02/96/53/824029653.db2.gz GPIWFMVOVDBGHK-JSGCOSHPSA-N 1 0 398.454 4.002 20 0 GIADRO [NH3+]CC[C@@H]1CCCN(C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)C1 ZINC000414732547 824029667 /nfs/dbraw/zinc/02/96/67/824029667.db2.gz ANFCMXJZZQXVDK-LBPRGKRZSA-N 1 0 398.454 4.422 20 0 GIADRO O=C(Nc1ccccc1)c1cc(NC(=O)C2CC[NH+](C3CC3)CC2)ccc1Cl ZINC000192554681 824030067 /nfs/dbraw/zinc/03/00/67/824030067.db2.gz FFAWHJYNVFHFMB-UHFFFAOYSA-N 1 0 397.906 4.405 20 0 GIADRO Cc1ccc(Cc2cnc(NC(=O)NC3CCC([NH3+])CC3)s2)cc1Cl ZINC000414734356 824030422 /nfs/dbraw/zinc/03/04/22/824030422.db2.gz KUBODDBPIPQFTH-UHFFFAOYSA-N 1 0 378.929 4.087 20 0 GIADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000414735961 824030722 /nfs/dbraw/zinc/03/07/22/824030722.db2.gz CLPAPQQIQKSVRY-MNOVXSKESA-N 1 0 384.427 4.030 20 0 GIADRO CCCN(C(=O)C(=O)Nc1cccc(C[NH2+]C)c1)[C@H](C)c1cc2ccccc2o1 ZINC000414737097 824030821 /nfs/dbraw/zinc/03/08/21/824030821.db2.gz HFRKIRACNBLVES-MRXNPFEDSA-N 1 0 393.487 4.091 20 0 GIADRO COc1cccc(NC(=O)C[C@H](C)[NH2+]Cc2nc(-c3ccccc3F)cs2)c1 ZINC000575929768 824031048 /nfs/dbraw/zinc/03/10/48/824031048.db2.gz NTWVBAJALQZCRL-AWEZNQCLSA-N 1 0 399.491 4.465 20 0 GIADRO COc1ccc(NC(=O)NCCCCC[NH+]2CCCCC2)c(C(F)(F)F)c1 ZINC000575927826 824031199 /nfs/dbraw/zinc/03/11/99/824031199.db2.gz RXRCSSYYZHCWDH-UHFFFAOYSA-N 1 0 387.446 4.492 20 0 GIADRO C[C@@H]1CCN(C(=O)Nc2ccccc2-c2nc3ccccc3s2)C[C@@H]1C[NH3+] ZINC000414740620 824031676 /nfs/dbraw/zinc/03/16/76/824031676.db2.gz REUPPSOTOFDCLI-CABCVRRESA-N 1 0 380.517 4.412 20 0 GIADRO CCCN(C(=O)C(=O)Nc1ccc(C[NH2+]C)cc1)[C@H](C)c1cc2ccccc2o1 ZINC000414742051 824031726 /nfs/dbraw/zinc/03/17/26/824031726.db2.gz LTJHEHCZGKERFI-MRXNPFEDSA-N 1 0 393.487 4.091 20 0 GIADRO [NH3+]C1CCC(NC(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)CC1 ZINC000414748280 824032709 /nfs/dbraw/zinc/03/27/09/824032709.db2.gz NRJYJNTVPLSSMK-UHFFFAOYSA-N 1 0 384.427 4.220 20 0 GIADRO C[C@@H]1CCN(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)C[C@H]1C[NH3+] ZINC000414750650 824032866 /nfs/dbraw/zinc/03/28/66/824032866.db2.gz MHELPEUIAPEGCN-GDBMZVCRSA-N 1 0 380.517 4.412 20 0 GIADRO Cc1cc2cc(CNC(=O)N3CCC[C@@H](C[N@H+]4CCCC[C@@H]4C)C3)ccc2[nH]1 ZINC000575946236 824034498 /nfs/dbraw/zinc/03/44/98/824034498.db2.gz LQWGTXFAKUJEKZ-ICSRJNTNSA-N 1 0 382.552 4.272 20 0 GIADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000414777211 824034974 /nfs/dbraw/zinc/03/49/74/824034974.db2.gz ODYYWAZQZWXFIR-LJQANCHMSA-N 1 0 383.496 4.168 20 0 GIADRO C[NH2+]C[C@@H]1CCCN1C(=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1 ZINC000414774251 824035030 /nfs/dbraw/zinc/03/50/30/824035030.db2.gz BBLFZNQEQSWVLW-SFHVURJKSA-N 1 0 389.446 4.095 20 0 GIADRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)Nc1ccc(OCC(F)(F)F)cc1 ZINC000414779223 824035493 /nfs/dbraw/zinc/03/54/93/824035493.db2.gz ZVUJMPKEUXVCAZ-KRWDZBQOSA-N 1 0 381.398 4.012 20 0 GIADRO O=C(Nc1ccc2c(c1)C[NH2+]C2)C(=O)N[C@@H](CC1CCCCC1)c1ccccc1 ZINC000414793926 824036881 /nfs/dbraw/zinc/03/68/81/824036881.db2.gz UVPIRYXGJYYKTF-QFIPXVFZSA-N 1 0 391.515 4.056 20 0 GIADRO COc1ccc(Cl)cc1[C@@H](CC(C)C)NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000192582593 824038021 /nfs/dbraw/zinc/03/80/21/824038021.db2.gz QHAPEUVVIBCKTP-LJQANCHMSA-N 1 0 378.944 4.426 20 0 GIADRO CC(C)C(=O)N1CCC([NH2+][C@H](Cc2cccnc2)c2cccc(Cl)c2)CC1 ZINC000575959329 824038314 /nfs/dbraw/zinc/03/83/14/824038314.db2.gz SXIVMCQIEQLSPN-OAQYLSRUSA-N 1 0 385.939 4.255 20 0 GIADRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc(NC(C)=O)ccc1OC)c1ccc(C)cc1 ZINC000192586057 824038395 /nfs/dbraw/zinc/03/83/95/824038395.db2.gz GYICYNKMGPKGAR-HNAYVOBHSA-N 1 0 383.492 4.030 20 0 GIADRO C[C@@H]([NH3+])c1ccc(NC(=O)Nc2ccccc2C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000414813965 824038655 /nfs/dbraw/zinc/03/86/55/824038655.db2.gz NCPHYJFQURIFBX-BRWVUGGUSA-N 1 0 394.519 4.468 20 0 GIADRO C[NH2+]CCC1CCN(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)CC1 ZINC000414817690 824039225 /nfs/dbraw/zinc/03/92/25/824039225.db2.gz BKLNAWWGVNWYBE-UHFFFAOYSA-N 1 0 378.948 4.184 20 0 GIADRO COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]C[C@@H](N)c2ccccc2)c1 ZINC000414824209 824040049 /nfs/dbraw/zinc/04/00/49/824040049.db2.gz ALPMGRYJQZHMMA-OAQYLSRUSA-N 1 0 378.520 4.103 20 0 GIADRO CCCCN(C(=O)C(=O)Nc1cccc(C[NH2+]C)c1)[C@H](CC)c1ccccc1 ZINC000414844724 824041132 /nfs/dbraw/zinc/04/11/32/824041132.db2.gz FANXHEKHIYUIGC-OAQYLSRUSA-N 1 0 381.520 4.125 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)Nc1cccc(-c2ccccc2)c1 ZINC000575971770 824041706 /nfs/dbraw/zinc/04/17/06/824041706.db2.gz WMUXJNQLXRGHDD-IBGZPJMESA-N 1 0 393.531 4.063 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)Nc1cccc(-c2ccccc2)c1 ZINC000575971775 824041762 /nfs/dbraw/zinc/04/17/62/824041762.db2.gz WMUXJNQLXRGHDD-LJQANCHMSA-N 1 0 393.531 4.063 20 0 GIADRO [NH3+][C@@H]1CCc2ncc(NC(=O)N3CCCC[C@@H]3c3cccc(Cl)c3)cc2C1 ZINC000575971314 824041872 /nfs/dbraw/zinc/04/18/72/824041872.db2.gz SJGACNNETQOGIY-YLJYHZDGSA-N 1 0 384.911 4.310 20 0 GIADRO C[C@H](NCc1csc(-c2cccc(Br)c2)n1)[C@@H]1CCC[NH2+]C1 ZINC000414852619 824042158 /nfs/dbraw/zinc/04/21/58/824042158.db2.gz KDNYFAACROHDPV-GXTWGEPZSA-N 1 0 380.355 4.050 20 0 GIADRO CN(C)c1ccc(NC(=O)N[C@H](CCC[NH3+])c2ccccc2)c(C(F)(F)F)c1 ZINC000414855939 824042631 /nfs/dbraw/zinc/04/26/31/824042631.db2.gz XQSUMMYRLGZXRM-QGZVFWFLSA-N 1 0 394.441 4.373 20 0 GIADRO CC[NH2+]Cc1cccc(NCc2ncc(Br)cc2Br)c1 ZINC000414859651 824043034 /nfs/dbraw/zinc/04/30/34/824043034.db2.gz BJAUTOUNCSAHAZ-UHFFFAOYSA-N 1 0 399.130 4.328 20 0 GIADRO Cc1cc(Br)cc(C)c1NC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000414876432 824043925 /nfs/dbraw/zinc/04/39/25/824043925.db2.gz DLVMJPXRRYUTOX-UHFFFAOYSA-N 1 0 390.325 4.101 20 0 GIADRO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NCc2csc(-c3ccc(F)cc3)n2)cc1 ZINC000414881229 824044544 /nfs/dbraw/zinc/04/45/44/824044544.db2.gz KSVWDJNIEMMESP-LEWJYISDSA-N 1 0 397.519 4.193 20 0 GIADRO CC[NH2+]CC1CCN(C(=O)Nc2cc(NC(=O)c3ccccc3)ccc2C)CC1 ZINC000414880900 824044679 /nfs/dbraw/zinc/04/46/79/824044679.db2.gz JNCVCKPWRKWWRB-UHFFFAOYSA-N 1 0 394.519 4.101 20 0 GIADRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000414883308 824045070 /nfs/dbraw/zinc/04/50/70/824045070.db2.gz DKDKQBKFAGMNGB-KRWDZBQOSA-N 1 0 395.507 4.150 20 0 GIADRO O=c1nc(CN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)[nH]c2sc(-c3ccccc3)cc21 ZINC000575996834 824046652 /nfs/dbraw/zinc/04/66/52/824046652.db2.gz APKUTJYPIRMJQH-FUHWJXTLSA-N 1 0 394.544 4.028 20 0 GIADRO [NH3+][C@@H](CNCc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)C1CC1 ZINC000414893629 824046761 /nfs/dbraw/zinc/04/67/61/824046761.db2.gz RXKHTOVRBYCQOT-SFHVURJKSA-N 1 0 378.303 4.073 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)Cc1cnccc1C(F)(F)F ZINC000576000809 824047242 /nfs/dbraw/zinc/04/72/42/824047242.db2.gz LFZIYEXOMWJHHD-UHFFFAOYSA-N 1 0 395.425 4.002 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000171049626 824047311 /nfs/dbraw/zinc/04/73/11/824047311.db2.gz ZAIYYWDYJWBOOO-WMZOPIPTSA-N 1 0 384.549 4.059 20 0 GIADRO COc1ccccc1[C@H](O)C[NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000171050514 824047778 /nfs/dbraw/zinc/04/77/78/824047778.db2.gz NSFJDMNJRBFGBS-QGZVFWFLSA-N 1 0 380.271 4.101 20 0 GIADRO CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@@H](C)c1cccc(NC(C)=O)c1)CCC2 ZINC000192631826 824051193 /nfs/dbraw/zinc/05/11/93/824051193.db2.gz NRBIHHUVXPERDB-KBXCAEBGSA-N 1 0 384.476 4.451 20 0 GIADRO CCCN(CCC)C(=O)c1ccc(NC(=O)NCc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000414930727 824051285 /nfs/dbraw/zinc/05/12/85/824051285.db2.gz TYUOBGTUGIHKFZ-KRWDZBQOSA-N 1 0 396.535 4.290 20 0 GIADRO CN(C(=O)c1ccc2c(c1)C(C)(C)CO2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000576020552 824051436 /nfs/dbraw/zinc/05/14/36/824051436.db2.gz AMGKVPWSNPXWPA-UHFFFAOYSA-N 1 0 378.516 4.093 20 0 GIADRO CCc1cccc2c(CC(=O)NC[C@@H](c3ccc(SC)cc3)[NH+](C)C)c[nH]c21 ZINC000576022394 824051468 /nfs/dbraw/zinc/05/14/68/824051468.db2.gz DLTPZSLOIYDALR-NRFANRHFSA-N 1 0 395.572 4.414 20 0 GIADRO CN(C(=O)c1cccc(NC(=O)NCC2([NH3+])CCCCCC2)c1)c1ccccc1 ZINC000414936906 824051867 /nfs/dbraw/zinc/05/18/67/824051867.db2.gz HCNFQOOXKVBQGT-UHFFFAOYSA-N 1 0 394.519 4.136 20 0 GIADRO [NH3+]C[C@@H](NCc1ccc(OC[C@H]2CCCO2)cc1)c1ccc2ccccc2c1 ZINC000414945457 824052916 /nfs/dbraw/zinc/05/29/16/824052916.db2.gz RPZUDOJAVKGSCL-DNQXCXABSA-N 1 0 376.500 4.187 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCCS3)n2Cc2ccccc2)C1 ZINC000576027403 824052881 /nfs/dbraw/zinc/05/28/81/824052881.db2.gz FPZKUYBIBPFFJD-PMACEKPBSA-N 1 0 399.608 4.063 20 0 GIADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)Nc1ccc(Br)cc1C(F)(F)F ZINC000414967721 824055623 /nfs/dbraw/zinc/05/56/23/824055623.db2.gz DIXWWKNAAZHOMI-TVQRCGJNSA-N 1 0 394.235 4.202 20 0 GIADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)Nc1ccc(Br)cc1C(F)(F)F ZINC000414967722 824055696 /nfs/dbraw/zinc/05/56/96/824055696.db2.gz DIXWWKNAAZHOMI-ZANVPECISA-N 1 0 394.235 4.202 20 0 GIADRO Clc1ccc2c(c1)ncnc2N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000012933743 210032359 /nfs/dbraw/zinc/03/23/59/210032359.db2.gz CSUYJBHYFARGOJ-UHFFFAOYSA-N 1 0 389.890 4.154 20 0 GIADRO C[C@@H](CC(C)(C)c1ccccc1)[NH2+]Cc1nnc2n1C[C@H](C(F)(F)F)CC2 ZINC000359907148 209201192 /nfs/dbraw/zinc/20/11/92/209201192.db2.gz WVBDDXPQXGRCLQ-GOEBONIOSA-N 1 0 380.458 4.249 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@H](C)Cc2nc(-c3ccccc3)no2)cc(OC)c1OC ZINC000359872915 209198030 /nfs/dbraw/zinc/19/80/30/209198030.db2.gz LBWLOAMXNDZFRP-HUUCEWRRSA-N 1 0 397.475 4.044 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCC3(CCOC3=O)CC2)c1)c1ccccc1Cl ZINC000359871947 209197978 /nfs/dbraw/zinc/19/79/78/209197978.db2.gz KKAKKZSQFMDUQI-UHFFFAOYSA-N 1 0 398.890 4.121 20 0 GIADRO O=C(Cc1ccc(Cl)cc1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000007492070 212075085 /nfs/dbraw/zinc/07/50/85/212075085.db2.gz XYHLWDFAQFXVQT-UHFFFAOYSA-N 1 0 377.315 4.317 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Cc1coc2cc(OC)ccc12)c1ccccc1 ZINC000007686376 212071314 /nfs/dbraw/zinc/07/13/14/212071314.db2.gz KYSZXGZISACNFU-OAQYLSRUSA-N 1 0 380.488 4.183 20 0 GIADRO CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]Cc2cc(Cl)cc3cccnc32)cn1 ZINC000328648420 209152431 /nfs/dbraw/zinc/15/24/31/209152431.db2.gz UMYYKHCFDVTKII-XLIONFOSSA-N 1 0 383.883 4.054 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)Cc1c(C)[nH]c2ccccc21 ZINC000071958868 211066348 /nfs/dbraw/zinc/06/63/48/211066348.db2.gz TYRVACIUJDKJCQ-UHFFFAOYSA-N 1 0 393.531 4.056 20 0 GIADRO Cc1cc([C@@H]2CCC[N@@H+]2C[C@H](O)Cn2c3ccccc3c3ccccc32)no1 ZINC000044591255 570633542 /nfs/dbraw/zinc/63/35/42/570633542.db2.gz JPTCIFVKGVTWOE-SBUREZEXSA-N 1 0 375.472 4.289 20 0 GIADRO Cc1cc([C@H]2CCC[N@@H+]2C[C@H](O)Cn2c3ccccc3c3ccccc32)no1 ZINC000044591257 570633556 /nfs/dbraw/zinc/63/35/56/570633556.db2.gz JPTCIFVKGVTWOE-GAJHUEQPSA-N 1 0 375.472 4.289 20 0 GIADRO [NH3+]C1CC2(C1)CCN(C(F)(F)c1cnc(Cl)c(-c3ccncc3)c1)CC2 ZINC001164386899 718802336 /nfs/dbraw/zinc/80/23/36/718802336.db2.gz GVRVLZFHGWJWLK-UHFFFAOYSA-N 1 0 378.854 4.050 20 0 GIADRO FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1CCC2(CCCC[NH2+]2)CC1 ZINC001164387722 718803086 /nfs/dbraw/zinc/80/30/86/718803086.db2.gz NGIDAMAIHFRJDG-UHFFFAOYSA-N 1 0 392.881 4.454 20 0 GIADRO Cc1cc(C(F)(F)N2[C@@H](C(F)(F)F)CCC23CC[NH2+]CC3)cc(Cl)n1 ZINC001164413470 718879880 /nfs/dbraw/zinc/87/98/80/718879880.db2.gz IUHZACHLLUPCMB-GFCCVEGCSA-N 1 0 383.792 4.242 20 0 GIADRO [NH3+][C@@]12C[C@@H]1CN(C(F)(F)c1ccccc1-c1nc(Cl)c3ccccc3n1)C2 ZINC001164420387 718889009 /nfs/dbraw/zinc/88/90/09/718889009.db2.gz UTUMRGZLUHSMTA-CWTRNNRKSA-N 1 0 386.833 4.033 20 0 GIADRO CC(C)c1ccc(-c2cc(C(F)(F)N3CC[C@H]4C[C@@]4([NH3+])C3)c(Cl)nn2)cc1 ZINC001164420088 718897288 /nfs/dbraw/zinc/89/72/88/718897288.db2.gz KBFYERCQAVREQH-HNAYVOBHSA-N 1 0 392.881 4.393 20 0 GIADRO FC(F)(c1nc2cc(Cl)c(Cl)cc2nc1Cl)N1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001164448705 718997039 /nfs/dbraw/zinc/99/70/39/718997039.db2.gz IPGIJWNROBGANX-CABZTGNLSA-N 1 0 393.652 4.076 20 0 GIADRO Fc1cc(C(F)(F)N2CC[C@]3(C[NH2+]C[C@H]3c3ccccc3)C2)cnc1Cl ZINC001164618735 719045680 /nfs/dbraw/zinc/04/56/80/719045680.db2.gz BCVZMMKIQXXJIE-YJBOKZPZSA-N 1 0 381.829 4.003 20 0 GIADRO FC(F)(c1cccnc1Cl)N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164621460 719053982 /nfs/dbraw/zinc/05/39/82/719053982.db2.gz JIYJHVKZIOTKCJ-AEFFLSMTSA-N 1 0 377.866 4.381 20 0 GIADRO CC(C)n1ccc2c1ncnc2N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164624991 719093194 /nfs/dbraw/zinc/09/31/94/719093194.db2.gz FXFGIWDPBGQXRF-CTNGQTDRSA-N 1 0 375.520 4.113 20 0 GIADRO Fc1ccc(-c2ccc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)nn2)cc1 ZINC001164625165 719100425 /nfs/dbraw/zinc/10/04/25/719100425.db2.gz GXZWGFICYPTFJJ-NZQKXSOJSA-N 1 0 388.490 4.384 20 0 GIADRO Cc1nc(-c2ccncc2)nc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1C ZINC001164625132 719104502 /nfs/dbraw/zinc/10/45/02/719104502.db2.gz GQMCEWWMTKSHQV-XZOQPEGZSA-N 1 0 399.542 4.256 20 0 GIADRO [NH3+]C1([C@@H]2CN(C(F)(F)c3cc(Cl)nc4c3CCCCC4)C[C@@H]2CF)CC1 ZINC001164619155 719127136 /nfs/dbraw/zinc/12/71/36/719127136.db2.gz CMQNPRIOZHWDOJ-SWLSCSKDSA-N 1 0 387.877 4.062 20 0 GIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ncnc4sccc42)CC3)cs1 ZINC001164692338 719803412 /nfs/dbraw/zinc/80/34/12/719803412.db2.gz NCLWVZPUNHJDGT-UHFFFAOYSA-N 1 0 385.562 4.091 20 0 GIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ncc(Cl)cc2F)CC3)cs1 ZINC001164692273 719804757 /nfs/dbraw/zinc/80/47/57/719804757.db2.gz MGOPMQYSPCOCOR-UHFFFAOYSA-N 1 0 380.920 4.274 20 0 GIADRO Cc1cc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc2ccccc12 ZINC001164695695 719891540 /nfs/dbraw/zinc/89/15/40/719891540.db2.gz RFFAAZIUQDHFTL-UHFFFAOYSA-N 1 0 393.556 4.476 20 0 GIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(C)c3cccc(C)c3n1)C2 ZINC001164808569 720076658 /nfs/dbraw/zinc/07/66/58/720076658.db2.gz IHJWFLPOJBCULW-GBXCKJPGSA-N 1 0 379.548 4.036 20 0 GIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(Cl)nc3ccsc31)C2 ZINC001164814233 720099367 /nfs/dbraw/zinc/09/93/67/720099367.db2.gz WFSUYEJDHIXMEA-YWZLYKJASA-N 1 0 391.968 4.134 20 0 GIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(C3CCCCC3)nc(C)n1)C2 ZINC001164818100 720156293 /nfs/dbraw/zinc/15/62/93/720156293.db2.gz RTYLRMUSIIIWRT-XUZZJYLKSA-N 1 0 398.595 4.017 20 0 GIADRO CC(C)c1cc2c(ncnc2N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)s1 ZINC001164722134 720330515 /nfs/dbraw/zinc/33/05/15/720330515.db2.gz FENQXTYLNCCHGO-MSOLQXFVSA-N 1 0 379.533 4.063 20 0 GIADRO Clc1cc(-c2ccnc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c2)ccn1 ZINC001164729897 720355210 /nfs/dbraw/zinc/35/52/10/720355210.db2.gz YUQIDGSOKZBGCA-UXHICEINSA-N 1 0 391.906 4.045 20 0 GIADRO Fc1ccc2cc(Cl)nc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c2c1 ZINC001164724187 720357083 /nfs/dbraw/zinc/35/70/83/720357083.db2.gz JSVRGIALJZRIQN-RBUKOAKNSA-N 1 0 382.870 4.276 20 0 GIADRO c1ccc2c(c1)cc(N1CCCC1)nc2N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164735080 720450303 /nfs/dbraw/zinc/45/03/03/720450303.db2.gz VSVMASNQPBHMKA-XZOQPEGZSA-N 1 0 399.542 4.083 20 0 GIADRO Cc1ccc(Cl)c(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164841151 720672033 /nfs/dbraw/zinc/67/20/33/720672033.db2.gz PKSHQIZXYHJZDJ-IBGZPJMESA-N 1 0 385.939 4.303 20 0 GIADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc3ccccc3cn1)CC2 ZINC001164841761 720672481 /nfs/dbraw/zinc/67/24/81/720672481.db2.gz PWGUOAOLNCTLRL-HSZRJFAPSA-N 1 0 387.527 4.495 20 0 GIADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(Cl)ccc1F)CC2 ZINC001164837569 720672970 /nfs/dbraw/zinc/67/29/70/720672970.db2.gz DBRUPWKMYNCWFI-KRWDZBQOSA-N 1 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C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4c(n3)CCCC4)C[C@H]21 ZINC001165026474 721809304 /nfs/dbraw/zinc/80/93/04/721809304.db2.gz QSGYZFKGTJPADI-XKCSPQBFSA-N 1 0 376.548 4.092 20 0 GIADRO Cc1cccc2ncc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)nc12 ZINC001165026415 721809589 /nfs/dbraw/zinc/80/95/89/721809589.db2.gz PWKRXBJBINDMCC-VCOUNFBDSA-N 1 0 387.531 4.070 20 0 GIADRO Cc1nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc2ccccc12 ZINC001165027363 721809602 /nfs/dbraw/zinc/80/96/02/721809602.db2.gz UJYWKCYHXZLFCQ-AVCGJXAMSA-N 1 0 387.531 4.070 20 0 GIADRO Cc1cc(Cl)c(C)c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165023504 721815364 /nfs/dbraw/zinc/81/53/64/721815364.db2.gz HGPGNVSMCPGQFI-FBBABVLZSA-N 1 0 384.955 4.484 20 0 GIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cccc(OC(C)(C)C)n3)C[C@H]21 ZINC001165029658 721815665 /nfs/dbraw/zinc/81/56/65/721815665.db2.gz ZYMDKRYBLAVIBM-CEWLAPEOSA-N 1 0 394.563 4.391 20 0 GIADRO CCc1nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c(Cl)nc1C ZINC001165029610 721831368 /nfs/dbraw/zinc/83/13/68/721831368.db2.gz XGZXAKDXBHYJEQ-ILZDJORESA-N 1 0 399.970 4.133 20 0 GIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc(C(C)C)nc(C)n2)CC1 ZINC001165019278 721838334 /nfs/dbraw/zinc/83/83/34/721838334.db2.gz CBOQCBAKKBEFQF-UHFFFAOYSA-N 1 0 398.551 4.026 20 0 GIADRO FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1CC[NH+](C2CCCC2)CC1 ZINC001165028053 721854924 /nfs/dbraw/zinc/85/49/24/721854924.db2.gz IBQSVDLXWGQRPD-UHFFFAOYSA-N 1 0 392.881 4.407 20 0 GIADRO CCOC(=O)c1c(Cl)c2ccccc2nc1N1CC[NH+](C2CCCC2)CC1 ZINC001165032015 721859535 /nfs/dbraw/zinc/85/95/35/721859535.db2.gz JHBCZBRXJHXCNA-UHFFFAOYSA-N 1 0 387.911 4.130 20 0 GIADRO c1csc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3c2ncnc3[nH]c4ccccc4c32)c1 ZINC001164937375 721912898 /nfs/dbraw/zinc/91/28/98/721912898.db2.gz LKDIFCFMFYCDBZ-GASCZTMLSA-N 1 0 375.501 4.026 20 0 GIADRO c1csc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3c2ncnc3sc4c(c32)CCC4)c1 ZINC001164938099 721913809 /nfs/dbraw/zinc/91/38/09/721913809.db2.gz WSIIKVDBQWDRIC-OKILXGFUSA-N 1 0 382.558 4.095 20 0 GIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cccc(OC(C)C)n4)CC3)C2)cc1 ZINC001164940465 721927520 /nfs/dbraw/zinc/92/75/20/721927520.db2.gz QZTNYWAVLZPFMV-UHFFFAOYSA-N 1 0 395.547 4.049 20 0 GIADRO Cc1cccc(-c2cc(C(F)(F)N(C)CC3CC[NH+](C)CC3)c(Cl)nn2)c1 ZINC001165045107 721939472 /nfs/dbraw/zinc/93/94/72/721939472.db2.gz SZDIKVQZGGJCHW-UHFFFAOYSA-N 1 0 394.897 4.428 20 0 GIADRO CC[NH+](CC)C1CCN(C(F)(F)c2nc(Cl)c3cccc(F)c3n2)CC1 ZINC001165053178 722001460 /nfs/dbraw/zinc/00/14/60/722001460.db2.gz KFVWICOBCYWYQU-UHFFFAOYSA-N 1 0 386.849 4.278 20 0 GIADRO CC[NH+](CC)C1CCN(c2cnc(Cl)nc2Oc2ccc(F)cc2)CC1 ZINC001165052938 722006127 /nfs/dbraw/zinc/00/61/27/722006127.db2.gz GSXADROYOAZEJT-UHFFFAOYSA-N 1 0 378.879 4.372 20 0 GIADRO CC[NH+](CC)C1CCN(C(F)(F)c2nc(Cl)c3cc(OC)ccc3n2)CC1 ZINC001165054676 722006318 /nfs/dbraw/zinc/00/63/18/722006318.db2.gz XHEIITDNYUPQIW-UHFFFAOYSA-N 1 0 398.885 4.147 20 0 GIADRO Fc1ccc2ccnc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)c2c1 ZINC001164953574 722018361 /nfs/dbraw/zinc/01/83/61/722018361.db2.gz UXTOZJHYEJWPSE-UHFFFAOYSA-N 1 0 376.479 4.261 20 0 GIADRO COc1ccc2cnc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)cc2c1 ZINC001164955838 722020027 /nfs/dbraw/zinc/02/00/27/722020027.db2.gz OSNHLRJCKHFUBQ-UHFFFAOYSA-N 1 0 388.515 4.131 20 0 GIADRO c1ccc(-c2cnc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)cn2)cc1 ZINC001164956215 722021908 /nfs/dbraw/zinc/02/19/08/722021908.db2.gz YNAWSVFVQQJGKS-UHFFFAOYSA-N 1 0 385.515 4.031 20 0 GIADRO Cc1ccc2ncnc(N3CCC[C@@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)c2c1 ZINC001164992883 722196150 /nfs/dbraw/zinc/19/61/50/722196150.db2.gz BWTAEUVHVKVBPT-HSZRJFAPSA-N 1 0 376.479 4.322 20 0 GIADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2nc(Cl)nc4cnccc42)C3)c1 ZINC001164995795 722197091 /nfs/dbraw/zinc/19/70/91/722197091.db2.gz YAXKSXXWYDTPCG-NRFANRHFSA-N 1 0 397.885 4.062 20 0 GIADRO Cc1cccc2ncc(N3CCC[C@@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)nc12 ZINC001164993625 722197598 /nfs/dbraw/zinc/19/75/98/722197598.db2.gz FVGYVSSJQYUQMY-HSZRJFAPSA-N 1 0 376.479 4.322 20 0 GIADRO c1ccc(C[C@@H]2[C@@H](OCC3CC3)CCN2c2ncccc2C[NH+]2CCCC2)cc1 ZINC001165005199 722272031 /nfs/dbraw/zinc/27/20/31/722272031.db2.gz FRINJMUISGWBQL-RPWUZVMVSA-N 1 0 391.559 4.294 20 0 GIADRO O=C(N[C@@H]1CCc2cc(F)c(F)c(F)c21)NC1CC[NH+](C2CCCCC2)CC1 ZINC000458478378 823045337 /nfs/dbraw/zinc/04/53/37/823045337.db2.gz CSBMUZVXEBCUCC-QGZVFWFLSA-N 1 0 395.469 4.188 20 0 GIADRO CC(C)OC(=O)c1ccc(C[NH2+][C@@H](C)C2CCN(CC(F)(F)F)CC2)cc1 ZINC000570498946 823047000 /nfs/dbraw/zinc/04/70/00/823047000.db2.gz DWVSIFZERXYATM-HNNXBMFYSA-N 1 0 386.458 4.004 20 0 GIADRO C[C@H](NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)[C@@H](C)c1ccccc1 ZINC000458492976 823047204 /nfs/dbraw/zinc/04/72/04/823047204.db2.gz NEDWKTUAFZLWMR-CVEARBPZSA-N 1 0 385.474 4.237 20 0 GIADRO O[C@H](C[NH2+]Cc1cccc(COCC(F)(F)F)c1)Cc1cccc(Cl)c1 ZINC000570508944 823047935 /nfs/dbraw/zinc/04/79/35/823047935.db2.gz PNGOXMIUQZWQMY-SFHVURJKSA-N 1 0 387.829 4.112 20 0 GIADRO COc1cc(NC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)c(C)cc1C ZINC000570507272 823047965 /nfs/dbraw/zinc/04/79/65/823047965.db2.gz KCALSRGYEMTZJX-UHFFFAOYSA-N 1 0 396.535 4.477 20 0 GIADRO COc1ccc(-c2ccncc2)cc1CN[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000187356959 823048818 /nfs/dbraw/zinc/04/88/18/823048818.db2.gz GSTVWWGNAIZDLL-RXVVDRJESA-N 1 0 379.548 4.500 20 0 GIADRO O=C(CC[N@H+]1CCC[C@H]1C[C@@H](O)c1cccs1)Nc1ccc(Cl)cc1F ZINC000175830077 823049891 /nfs/dbraw/zinc/04/98/91/823049891.db2.gz IIMCDHAICYWZBY-WMLDXEAASA-N 1 0 396.915 4.457 20 0 GIADRO CCCOc1ccc(C[NH2+][C@H]2CCC[C@@H](N3CCCC3=O)C2)c(OCCC)c1 ZINC000570528563 823050156 /nfs/dbraw/zinc/05/01/56/823050156.db2.gz DHQMLPLKEUPBCK-VQTJNVASSA-N 1 0 388.552 4.287 20 0 GIADRO C[C@@H](C[NH2+]Cc1cccc(N2CCOCC2)c1)c1cccc(Br)c1 ZINC000570532632 823050759 /nfs/dbraw/zinc/05/07/59/823050759.db2.gz VHUOMUCXEUXDGG-INIZCTEOSA-N 1 0 389.337 4.179 20 0 GIADRO COc1cc(C)ccc1Oc1ccc(NC(=O)N[C@H](C)C[N@H+](C)C(C)C)cn1 ZINC000570556633 823053963 /nfs/dbraw/zinc/05/39/63/823053963.db2.gz UHOGCWQXCJTBTB-MRXNPFEDSA-N 1 0 386.496 4.041 20 0 GIADRO O=C1OCCN1c1cccc2c1CC[N@H+](CCCCCOc1ccccc1)C2 ZINC000187386560 823054016 /nfs/dbraw/zinc/05/40/16/823054016.db2.gz HRHWTXBTOZBGJP-UHFFFAOYSA-N 1 0 380.488 4.251 20 0 GIADRO CCCC[N@H+](CC)Cc1cccc(CNC(=O)NC2CCC(OC)CC2)c1 ZINC000458533680 823051998 /nfs/dbraw/zinc/05/19/98/823051998.db2.gz CSOVLOPFYLGMHV-UHFFFAOYSA-N 1 0 375.557 4.065 20 0 GIADRO C[C@H]([NH2+]CCc1c[nH]c2cc(Cl)ccc12)c1ccc(S(C)(=O)=O)cc1 ZINC000120719889 823052117 /nfs/dbraw/zinc/05/21/17/823052117.db2.gz PBHSJJRAUBMOFH-ZDUSSCGKSA-N 1 0 376.909 4.118 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCC([C@@H]4CCCO4)CC3)cc2)C1 ZINC000187375951 823052289 /nfs/dbraw/zinc/05/22/89/823052289.db2.gz FSXXTCBXKAQDFE-CVDCTZTESA-N 1 0 399.579 4.019 20 0 GIADRO CCc1ccc([C@H](C)C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)cc1 ZINC000120722571 823052767 /nfs/dbraw/zinc/05/27/67/823052767.db2.gz IHHGGNJUHKQIKU-SFHVURJKSA-N 1 0 380.532 4.196 20 0 GIADRO COc1ccccc1C[NH2+]C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000187380789 823052981 /nfs/dbraw/zinc/05/29/81/823052981.db2.gz XXZQZSPYVSQGOY-UHFFFAOYSA-N 1 0 392.421 4.108 20 0 GIADRO Cc1ccsc1C[NH2+]C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000187381187 823053105 /nfs/dbraw/zinc/05/31/05/823053105.db2.gz JELNDLSSJXPBTD-UHFFFAOYSA-N 1 0 382.451 4.470 20 0 GIADRO Cc1csc([C@H](NC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)C2CC2)n1 ZINC000175848335 823054504 /nfs/dbraw/zinc/05/45/04/823054504.db2.gz CGNRMLPAWYHSNY-YQVWRLOYSA-N 1 0 390.597 4.199 20 0 GIADRO CCc1nocc1CN(C)C(=O)NC[C@@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000458555928 823055379 /nfs/dbraw/zinc/05/53/79/823055379.db2.gz MHMKRILVIBIZRG-FXAWDEMLSA-N 1 0 386.540 4.144 20 0 GIADRO C[C@H](CCCc1cccnc1)NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000458578110 823058889 /nfs/dbraw/zinc/05/88/89/823058889.db2.gz QJCXJXYYDGXOHW-JSRJAPPDSA-N 1 0 386.584 4.135 20 0 GIADRO Cc1cccc(-c2nn(Cc3ccccc3)cc2C[N@@H+]2CCC[C@@H](O)CC2)c1 ZINC000570589504 823058503 /nfs/dbraw/zinc/05/85/03/823058503.db2.gz JXTBZZQGDIETCT-HSZRJFAPSA-N 1 0 375.516 4.254 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)C2(Cc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000187400333 823056103 /nfs/dbraw/zinc/05/61/03/823056103.db2.gz WRJAKYYQYSYCNC-UHFFFAOYSA-N 1 0 382.470 4.266 20 0 GIADRO Cc1cccc(CN(C)C(=O)NC[C@H](CC(C)C)[NH2+][C@H](C)c2ccccc2)n1 ZINC000458563495 823056464 /nfs/dbraw/zinc/05/64/64/823056464.db2.gz SIWPCILFNVVDGR-KNQAVFIVSA-N 1 0 382.552 4.297 20 0 GIADRO CC(C)C[C@H](CNC(=O)NCc1cnc(C2CC2)o1)[NH2+][C@@H](C)c1ccccc1 ZINC000458565555 823056972 /nfs/dbraw/zinc/05/69/72/823056972.db2.gz UBDQWIVPPJHJAF-QFBILLFUSA-N 1 0 384.524 4.117 20 0 GIADRO CC(=O)NC1CCC([NH2+]CCc2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000187404392 823056974 /nfs/dbraw/zinc/05/69/74/823056974.db2.gz NCAJGVCVBVZVDY-UHFFFAOYSA-N 1 0 377.941 4.043 20 0 GIADRO CC[NH+](CC)CCOc1ccc(NC(=O)c2nc(C(C)C)ncc2Cl)cc1 ZINC000120757016 823058067 /nfs/dbraw/zinc/05/80/67/823058067.db2.gz UTVCRLNYEIRNJP-UHFFFAOYSA-N 1 0 390.915 4.226 20 0 GIADRO O[C@H](C[C@@H]1CCCCC[N@@H+]1Cc1ccc(-n2ccnc2)nc1)c1cccs1 ZINC000175862558 823058119 /nfs/dbraw/zinc/05/81/19/823058119.db2.gz DPOZQSBNRZOTOB-RBUKOAKNSA-N 1 0 382.533 4.197 20 0 GIADRO O[C@@H](C[NH2+]Cc1ccc(OCc2cccc(F)c2)cc1)COc1ccccc1F ZINC000570594049 823059156 /nfs/dbraw/zinc/05/91/56/823059156.db2.gz HHKQQGPASWKWQW-FQEVSTJZSA-N 1 0 399.437 4.073 20 0 GIADRO CC(C)[NH+](CCCNC(=O)Nc1cccc(C[S@](=O)C(C)(C)C)c1)C(C)C ZINC000175868396 823059536 /nfs/dbraw/zinc/05/95/36/823059536.db2.gz MESJCGGJJOHXOX-MHZLTWQESA-N 1 0 395.613 4.364 20 0 GIADRO Fc1cccc([C@@H](C[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)N2CCOCC2)c1 ZINC000570599826 823059969 /nfs/dbraw/zinc/05/99/69/823059969.db2.gz LWROYKDHFLYADS-DHIUTWEWSA-N 1 0 393.506 4.348 20 0 GIADRO O=C(N[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000570605663 823061210 /nfs/dbraw/zinc/06/12/10/823061210.db2.gz AKYOEPZBAAQIHD-KCZVDYSFSA-N 1 0 397.950 4.400 20 0 GIADRO CC(C)Oc1cccc([C@H](NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C(F)F)c1 ZINC000570623600 823063712 /nfs/dbraw/zinc/06/37/12/823063712.db2.gz YCAMHNFMEGZLDJ-NJYVYQBISA-N 1 0 396.522 4.138 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(-c2nc(C3CC3)no2)cc1)c1ccco1 ZINC000175888274 823064030 /nfs/dbraw/zinc/06/40/30/823064030.db2.gz KAKPMBFEBNKZBZ-SFHVURJKSA-N 1 0 394.475 4.020 20 0 GIADRO C[C@@H](OC[C@H](O)C[NH2+]Cc1nc(C(C)(C)C)cs1)c1ccc(Cl)cc1 ZINC000570625742 823063999 /nfs/dbraw/zinc/06/39/99/823063999.db2.gz IZEKITRIKMGXOG-CZUORRHYSA-N 1 0 382.957 4.322 20 0 GIADRO C[C@H](C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1)c1ccc(Cl)s1 ZINC000175892489 823064938 /nfs/dbraw/zinc/06/49/38/823064938.db2.gz MVCIYMKHUOZVQQ-LBPRGKRZSA-N 1 0 379.913 4.034 20 0 GIADRO Cc1cccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1Br ZINC000120792623 823065410 /nfs/dbraw/zinc/06/54/10/823065410.db2.gz CRIWAXZOLVGTKD-YOEHRIQHSA-N 1 0 392.341 4.238 20 0 GIADRO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)c1 ZINC000055910064 823065788 /nfs/dbraw/zinc/06/57/88/823065788.db2.gz OHWCTCQSWPPYFE-CTNGQTDRSA-N 1 0 382.467 4.369 20 0 GIADRO CN(C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C1CC(C)(C)C1 ZINC000458627414 823065977 /nfs/dbraw/zinc/06/59/77/823065977.db2.gz VKYBSLWGMUEEAN-RDTXWAMCSA-N 1 0 381.923 4.302 20 0 GIADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Nc1ccc2nc(C)oc2c1 ZINC000175903355 823068220 /nfs/dbraw/zinc/06/82/20/823068220.db2.gz WGTSZSRKBHOQCC-UHFFFAOYSA-N 1 0 386.418 4.264 20 0 GIADRO C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000055935985 823068389 /nfs/dbraw/zinc/06/83/89/823068389.db2.gz VQFZHIJPGLKWRU-AWEZNQCLSA-N 1 0 386.367 4.374 20 0 GIADRO CC(C)[C@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1cccnc1 ZINC000175904147 823068487 /nfs/dbraw/zinc/06/84/87/823068487.db2.gz GIFQXRNEURSEIP-UNMCSNQZSA-N 1 0 386.584 4.119 20 0 GIADRO CC[C@@H]1CCCC[C@H]1[N@H+](C)Cc1nc(-c2cc(OC)c(OC)c(OC)c2)no1 ZINC000120818460 823070295 /nfs/dbraw/zinc/07/02/95/823070295.db2.gz KVGOVKMBJYRWGL-GDBMZVCRSA-N 1 0 389.496 4.163 20 0 GIADRO CCO[C@H]1C[C@@]([NH3+])(C(=O)Nc2ccc(N[C@@H](C)c3ccccc3)cc2)C1(C)C ZINC000187475970 823070957 /nfs/dbraw/zinc/07/09/57/823070957.db2.gz KZGWWRFBIMEWRN-ITSWEJNFSA-N 1 0 381.520 4.331 20 0 GIADRO O=C(Nc1ccc(Cc2nc3ccccc3s2)cc1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000570690375 823072293 /nfs/dbraw/zinc/07/22/93/823072293.db2.gz ZCWYNPWGDPCAOF-SFHVURJKSA-N 1 0 392.528 4.245 20 0 GIADRO O=C(Nc1ccc(Cc2nc3ccccc3s2)cc1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000570690367 823072309 /nfs/dbraw/zinc/07/23/09/823072309.db2.gz ZCWYNPWGDPCAOF-GOSISDBHSA-N 1 0 392.528 4.245 20 0 GIADRO c1c(C[NH2+]Cc2ccc3c(c2)OCCO3)c(-c2ccccn2)nn1C1CCCC1 ZINC000570680993 823071605 /nfs/dbraw/zinc/07/16/05/823071605.db2.gz ZNNLTYQVEKDADL-UHFFFAOYSA-N 1 0 390.487 4.121 20 0 GIADRO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(Oc4ccccc4)o3)cc2)CC1 ZINC000175916337 823071825 /nfs/dbraw/zinc/07/18/25/823071825.db2.gz YXFRPGFMNQDTTL-UHFFFAOYSA-N 1 0 377.444 4.076 20 0 GIADRO CC(C)c1noc(-c2ccc(NC(=O)N(C)CC[C@@H]3CCCC[N@@H+]3C)cc2)n1 ZINC000175922088 823073401 /nfs/dbraw/zinc/07/34/01/823073401.db2.gz FEJNHQBJOWVKDQ-SFHVURJKSA-N 1 0 385.512 4.198 20 0 GIADRO Cc1cnc([C@@H]([NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)C2CC2)s1 ZINC000187488690 823073689 /nfs/dbraw/zinc/07/36/89/823073689.db2.gz WNSPCOLCLPWFNB-CABCVRRESA-N 1 0 385.302 4.127 20 0 GIADRO CC[C@@H](C[C@@H](C)CO)[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000570703239 823073724 /nfs/dbraw/zinc/07/37/24/823073724.db2.gz OUOCFBVUZVKBRI-YGRLFVJLSA-N 1 0 379.136 4.098 20 0 GIADRO CCOCc1cccc(NC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000175927315 823074910 /nfs/dbraw/zinc/07/49/10/823074910.db2.gz JGZDXFPQCNSPKT-NRFANRHFSA-N 1 0 381.520 4.209 20 0 GIADRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1ccc(N(C)C)cc1F ZINC000120842598 823075117 /nfs/dbraw/zinc/07/51/17/823075117.db2.gz JQXVZUMHCGEGRK-UHFFFAOYSA-N 1 0 387.524 4.001 20 0 GIADRO Cc1noc(-c2ccccc2)c1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000570719241 823075288 /nfs/dbraw/zinc/07/52/88/823075288.db2.gz LZIGSDUVLVORMD-PXNSSMCTSA-N 1 0 390.487 4.435 20 0 GIADRO C[N@@H+]1CCCN(c2ccc(NC(=O)CCCc3ccc(F)c(F)c3)cc2)CC1 ZINC000175933137 823076214 /nfs/dbraw/zinc/07/62/14/823076214.db2.gz RBCWVACZNZSTJB-UHFFFAOYSA-N 1 0 387.474 4.068 20 0 GIADRO Cn1cc(-c2nc(-c3ccc(F)c(C[NH+](C)C)c3)no2)c(-c2ccccc2)n1 ZINC000570724730 823076401 /nfs/dbraw/zinc/07/64/01/823076401.db2.gz VLFZZNSTXPUJDW-UHFFFAOYSA-N 1 0 377.423 4.005 20 0 GIADRO CSc1ccc([C@H](CNC(=O)N[C@@H](C)CCCC(F)(F)F)[NH+](C)C)cc1 ZINC000458711066 823077216 /nfs/dbraw/zinc/07/72/16/823077216.db2.gz KXUDTOQWENNZIJ-BBRMVZONSA-N 1 0 391.503 4.432 20 0 GIADRO CSc1ccc([C@H](CNC(=O)N[C@H](C)CCCC(F)(F)F)[NH+](C)C)cc1 ZINC000458711067 823077397 /nfs/dbraw/zinc/07/73/97/823077397.db2.gz KXUDTOQWENNZIJ-CJNGLKHVSA-N 1 0 391.503 4.432 20 0 GIADRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CC(C)(C)[C@@H]1c1ccncc1)[NH+](C)C ZINC000458752775 823081420 /nfs/dbraw/zinc/08/14/20/823081420.db2.gz BVVJKXVJFPNDBC-QMMLZNLJSA-N 1 0 380.536 4.174 20 0 GIADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCCCCCCOc1ccc(Cl)cc1 ZINC000187509850 823077962 /nfs/dbraw/zinc/07/79/62/823077962.db2.gz DFIMRGFRMVUNDC-PXNSSMCTSA-N 1 0 395.975 4.261 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000570740362 823078893 /nfs/dbraw/zinc/07/88/93/823078893.db2.gz CCHJDZAMHMYQPP-DZGCQCFKSA-N 1 0 392.544 4.347 20 0 GIADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000570740205 823078952 /nfs/dbraw/zinc/07/89/52/823078952.db2.gz HRQCUXXKBICACN-UZLBHIALSA-N 1 0 388.943 4.244 20 0 GIADRO O=C(CC1CCCCC1)Nc1cccc2c1CCCN2C(=O)CC[NH2+]C1CC1 ZINC000570738834 823079032 /nfs/dbraw/zinc/07/90/32/823079032.db2.gz FYRLKFANLZUXDB-UHFFFAOYSA-N 1 0 383.536 4.017 20 0 GIADRO 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 823079130 /nfs/dbraw/zinc/07/91/30/823079130.db2.gz JEBPRFLOHOTFLR-QRFRQXIXSA-N 1 0 395.469 4.079 20 0 GIADRO COc1cc(-c2noc(C[NH2+][C@@H]3CCC(C)(C)C[C@@H]3C)n2)cc(OC)c1OC ZINC000120867961 823079549 /nfs/dbraw/zinc/07/95/49/823079549.db2.gz AZNDJPDQOYTSJF-DZGCQCFKSA-N 1 0 389.496 4.067 20 0 GIADRO C[C@@H](N[C@@H](C)c1noc(-c2ccccc2)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000570746056 823080437 /nfs/dbraw/zinc/08/04/37/823080437.db2.gz SJWSOXDHCPOSJC-LQWHRVPQSA-N 1 0 376.504 4.298 20 0 GIADRO CC(C)(C)c1noc(CCCC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)n1 ZINC000056042478 823081268 /nfs/dbraw/zinc/08/12/68/823081268.db2.gz GRGDGBIZUKUGNW-UHFFFAOYSA-N 1 0 398.551 4.357 20 0 GIADRO C[C@H]1CN(Cc2cccc(C(=O)N3CCCCC3)c2)C[C@H](c2ccsc2)O1 ZINC000120879607 823081280 /nfs/dbraw/zinc/08/12/80/823081280.db2.gz GEALVNVIHGWEOY-LAUBAEHRSA-N 1 0 384.545 4.336 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CN[C@@H](c1nc[nH]n1)c1ccccc1 ZINC000570756145 823081385 /nfs/dbraw/zinc/08/13/85/823081385.db2.gz UKPOQCKEADBZBJ-PGRDOPGGSA-N 1 0 375.520 4.058 20 0 GIADRO CC(C)[C@@H](C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccccc1 ZINC000120884796 823082024 /nfs/dbraw/zinc/08/20/24/823082024.db2.gz HNMMPSZSISJXBX-HSZRJFAPSA-N 1 0 380.532 4.269 20 0 GIADRO CO[C@@H](C)c1cccc(NC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000175956449 823082005 /nfs/dbraw/zinc/08/20/05/823082005.db2.gz ZHHIMVAJQWOHSU-ICSRJNTNSA-N 1 0 381.520 4.380 20 0 GIADRO CCOc1ccc(CCC(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000570766687 823083793 /nfs/dbraw/zinc/08/37/93/823083793.db2.gz VEWQBZROWVYBGP-QHCPKHFHSA-N 1 0 394.559 4.436 20 0 GIADRO Cc1cc(C)c(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1Br ZINC000187535544 823083973 /nfs/dbraw/zinc/08/39/73/823083973.db2.gz TWCKMRNLRYAXGD-HNNXBMFYSA-N 1 0 380.330 4.158 20 0 GIADRO O=S(=O)(Cc1ccc(F)c(Cl)c1)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000570769242 823084317 /nfs/dbraw/zinc/08/43/17/823084317.db2.gz JGLZOQUTQYKMJE-UHFFFAOYSA-N 1 0 396.915 4.059 20 0 GIADRO CC1(CC(F)(F)F)CN(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000458777385 823084298 /nfs/dbraw/zinc/08/42/98/823084298.db2.gz BMALLODZRDATEP-SFHVURJKSA-N 1 0 397.485 4.273 20 0 GIADRO NC(=O)c1ccc(-c2nc(C[N@@H+]3CCSC4(CCCCC4)C3)cs2)cc1 ZINC000175968558 823084366 /nfs/dbraw/zinc/08/43/66/823084366.db2.gz SYQSVBZYFHYOMH-UHFFFAOYSA-N 1 0 387.574 4.161 20 0 GIADRO Clc1ccc([C@@H]2CCC[C@H]([NH2+]Cc3cn(Cc4cccnc4)nn3)C2)cc1 ZINC000570770824 823084582 /nfs/dbraw/zinc/08/45/82/823084582.db2.gz ZMKZKCSBQIVKNH-QUCCMNQESA-N 1 0 381.911 4.191 20 0 GIADRO Cc1cc([C@H](C)[NH2+]Cc2cccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)c2)cs1 ZINC000570773845 823085161 /nfs/dbraw/zinc/08/51/61/823085161.db2.gz VAWZVOHORVLINJ-QKKBWIMNSA-N 1 0 383.517 4.132 20 0 GIADRO CC(C)Oc1ccc(NC(=O)N(CC[NH+](C)C)Cc2cccs2)c(F)c1 ZINC000175972620 823085643 /nfs/dbraw/zinc/08/56/43/823085643.db2.gz AXWNTWRRWMZBKX-UHFFFAOYSA-N 1 0 379.501 4.270 20 0 GIADRO CCOc1ccccc1Oc1ccccc1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000175972718 823085713 /nfs/dbraw/zinc/08/57/13/823085713.db2.gz FELMYNVOYQPDIH-UHFFFAOYSA-N 1 0 380.488 4.234 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1sc([C@H](C)OC)nc1C)c1ccsc1 ZINC000175977892 823087181 /nfs/dbraw/zinc/08/71/81/823087181.db2.gz ASMXWHIMBHSDFK-DZGCQCFKSA-N 1 0 381.567 4.033 20 0 GIADRO COc1ccc(NC(=O)c2nnc(C[NH2+][C@@H]3CCC(C)(C)C[C@H]3C)s2)cc1 ZINC000120915046 823086097 /nfs/dbraw/zinc/08/60/97/823086097.db2.gz UBNHCPQFUWGSQE-CZUORRHYSA-N 1 0 388.537 4.103 20 0 GIADRO CN(c1ccccc1NC(=O)N(CC[NH+](C)C)Cc1ccco1)C1CCCC1 ZINC000120922395 823087259 /nfs/dbraw/zinc/08/72/59/823087259.db2.gz ZRTJBOVPTKZBGU-UHFFFAOYSA-N 1 0 384.524 4.254 20 0 GIADRO FC(F)(F)Oc1cccc(C[NH+]2CCC(c3nnc4ccccn43)CC2)c1 ZINC000120926815 823087768 /nfs/dbraw/zinc/08/77/68/823087768.db2.gz JXUHUICTLYSJBU-UHFFFAOYSA-N 1 0 376.382 4.008 20 0 GIADRO CC[C@@]1(CO)CCC[N@H+](Cc2ncc(-c3ccc(Br)cc3)o2)C1 ZINC000187581313 823092274 /nfs/dbraw/zinc/09/22/74/823092274.db2.gz QERAHYCHSSFJDG-GOSISDBHSA-N 1 0 379.298 4.089 20 0 GIADRO C[NH+](C)C[C@@H](NC(=O)NCc1ccc(C(C)(F)F)cc1)c1ccc(F)cc1 ZINC000458806633 823089308 /nfs/dbraw/zinc/08/93/08/823089308.db2.gz CDDDAIFSWGDGNN-GOSISDBHSA-N 1 0 379.426 4.040 20 0 GIADRO CCOC[C@H]1CCN(C(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC000175989556 823089712 /nfs/dbraw/zinc/08/97/12/823089712.db2.gz PTBBAEGHBTYEBE-IBGZPJMESA-N 1 0 387.568 4.019 20 0 GIADRO CC(C)([NH2+]Cc1cnc2ccc(Br)cn12)c1ccc(F)c(F)c1 ZINC000175989367 823089765 /nfs/dbraw/zinc/08/97/65/823089765.db2.gz JCYDFRBVRADTIT-UHFFFAOYSA-N 1 0 380.236 4.400 20 0 GIADRO CCC[N@H+](C)[C@@H](CNC(=O)C[C@H](C)n1nc(C)cc1C)c1ccc(Cl)cc1 ZINC000570808610 823089822 /nfs/dbraw/zinc/08/98/22/823089822.db2.gz UKVDJRWOTQVHRV-PXNSSMCTSA-N 1 0 390.959 4.304 20 0 GIADRO COc1cc(C)c([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(Cl)cc2)cc1OC ZINC000056154162 823090754 /nfs/dbraw/zinc/09/07/54/823090754.db2.gz MHNXUCSHKQYPGF-KGLIPLIRSA-N 1 0 376.884 4.343 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[C@@H](c2ccccc2)C(F)(F)F)[C@H](C)C1 ZINC000458816153 823091072 /nfs/dbraw/zinc/09/10/72/823091072.db2.gz IMKPREYVMBMTKT-NJAFHUGGSA-N 1 0 385.474 4.094 20 0 GIADRO COc1ccc(C[N@@H+]2CCCN(C(=O)CCCc3ccc(C)s3)CC2)cc1 ZINC000175995343 823091135 /nfs/dbraw/zinc/09/11/35/823091135.db2.gz DKIPGKZJTOHZLO-UHFFFAOYSA-N 1 0 386.561 4.122 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cccc(OC(C)C)c2)c1 ZINC000056156805 823091398 /nfs/dbraw/zinc/09/13/98/823091398.db2.gz XIQBVWQUVBGZAL-HOTGVXAUSA-N 1 0 383.492 4.110 20 0 GIADRO CC(C)Oc1cccc([C@@H](C)[NH2+][C@@H](C)C(=O)NC(=O)Nc2ccccc2F)c1 ZINC000056156770 823091546 /nfs/dbraw/zinc/09/15/46/823091546.db2.gz NAIWHSRUTFUONK-CABCVRRESA-N 1 0 387.455 4.000 20 0 GIADRO 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 823092094 /nfs/dbraw/zinc/09/20/94/823092094.db2.gz SSPMJNJPYQJZNB-RNIPGJKVSA-N 1 0 397.485 4.094 20 0 GIADRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)CCCc2ccc(Br)s2)CC1 ZINC000570841228 823094338 /nfs/dbraw/zinc/09/43/38/823094338.db2.gz DBDYKNWMIYNKBW-KRWDZBQOSA-N 1 0 399.398 4.070 20 0 GIADRO CC[NH+]1CCN(c2ccc(N[C@@H](C)c3nnc(-c4cccs4)o3)c(C)c2)CC1 ZINC000056170284 823094804 /nfs/dbraw/zinc/09/48/04/823094804.db2.gz BHJJVTIHNITOAB-INIZCTEOSA-N 1 0 397.548 4.422 20 0 GIADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NCC[C@H](c1ccccc1)C(F)(F)F ZINC000458835147 823094890 /nfs/dbraw/zinc/09/48/90/823094890.db2.gz CIUUEPSDADMZIK-ZWKOTPCHSA-N 1 0 385.474 4.238 20 0 GIADRO CC[NH+]1CCN(c2ccc(N[C@@H](C)C(=O)Nc3c(C)cccc3C)c(C)c2)CC1 ZINC000056170328 823095027 /nfs/dbraw/zinc/09/50/27/823095027.db2.gz ZUHMVDARIFRPCA-FQEVSTJZSA-N 1 0 394.563 4.193 20 0 GIADRO C[C@@H]1CCN(C(=O)NCc2cccc3cccnc32)CC[N@@H+]1Cc1ccccc1 ZINC000176010961 823095155 /nfs/dbraw/zinc/09/51/55/823095155.db2.gz KHPMWSIAWPDOEI-LJQANCHMSA-N 1 0 388.515 4.041 20 0 GIADRO C[C@H](Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1)c1nc(C(C)(C)C)no1 ZINC000056170845 823095214 /nfs/dbraw/zinc/09/52/14/823095214.db2.gz ZPOJSSCCEXZVGH-INIZCTEOSA-N 1 0 399.539 4.355 20 0 GIADRO O=C(NCC[C@H](c1ccccc1)C(F)(F)F)N1CCC([NH+]2CCCCC2)CC1 ZINC000458835863 823095173 /nfs/dbraw/zinc/09/51/73/823095173.db2.gz DGNHBDDNTZEGPR-LJQANCHMSA-N 1 0 397.485 4.383 20 0 GIADRO O=C(NCC[C@@H](c1ccccc1)C(F)(F)F)N1CCC(C[NH+]2CCCC2)CC1 ZINC000458835933 823095270 /nfs/dbraw/zinc/09/52/70/823095270.db2.gz FFNKSCDJEWPENW-IBGZPJMESA-N 1 0 397.485 4.240 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1 ZINC000056174361 823095876 /nfs/dbraw/zinc/09/58/76/823095876.db2.gz DZJRLGZIOABXIT-UHFFFAOYSA-N 1 0 381.520 4.309 20 0 GIADRO C[C@@H](C(=O)NCC1CC[NH+](Cc2cccs2)CC1)c1c(F)cccc1F ZINC000120978159 823096401 /nfs/dbraw/zinc/09/64/01/823096401.db2.gz LSPSPRIWFHPWII-CQSZACIVSA-N 1 0 378.488 4.158 20 0 GIADRO Cc1cccnc1[C@H]([NH2+][C@@H](C)C(=O)N(C)Cc1nc2ccccc2s1)C(C)C ZINC000120979001 823096499 /nfs/dbraw/zinc/09/64/99/823096499.db2.gz DUFDAUSCEDSCFI-OXJNMPFZSA-N 1 0 396.560 4.334 20 0 GIADRO CCc1nc(C)c([C@H](C)N(C)C(=O)NC2CC[NH+](CC3CCCC3)CC2)s1 ZINC000176016936 823096652 /nfs/dbraw/zinc/09/66/52/823096652.db2.gz JBHQIWHNCMKFNX-INIZCTEOSA-N 1 0 392.613 4.371 20 0 GIADRO COc1ccc(NC(=O)[C@@H]([NH2+]CCCc2nccs2)c2ccccc2)cc1 ZINC000570865468 823098253 /nfs/dbraw/zinc/09/82/53/823098253.db2.gz FUFQUSYZTUEKJS-FQEVSTJZSA-N 1 0 381.501 4.054 20 0 GIADRO CCc1nnc(-c2ccc(NC(=O)NCCCCC[NH+]3CCCCC3)cc2)o1 ZINC000176024963 823098663 /nfs/dbraw/zinc/09/86/63/823098663.db2.gz YAORVWWEJZRQTP-UHFFFAOYSA-N 1 0 385.512 4.077 20 0 GIADRO Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)NC3CC[NH+](C4CCCC4)CC3)nc2c1 ZINC000176026651 823098999 /nfs/dbraw/zinc/09/89/99/823098999.db2.gz FDBBOQQEENZXDB-NRFANRHFSA-N 1 0 395.551 4.125 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)c1 ZINC000176037852 823102963 /nfs/dbraw/zinc/10/29/63/823102963.db2.gz WXRZMXQJCWFATP-UHFFFAOYSA-N 1 0 375.472 4.340 20 0 GIADRO Cc1cc(C(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)ccc1Br ZINC000121003920 823101152 /nfs/dbraw/zinc/10/11/52/823101152.db2.gz NBOBLPBUIAHIOG-UHFFFAOYSA-N 1 0 391.309 4.087 20 0 GIADRO COc1cc(C[NH2+][C@H]2C[C@H](OC(C)C)C2(C)C)cc(OC)c1OCC(F)F ZINC000570881662 823101163 /nfs/dbraw/zinc/10/11/63/823101163.db2.gz QVVNFROOGOZISC-IRXDYDNUSA-N 1 0 387.467 4.029 20 0 GIADRO COc1cc(C[NH2+][C@@H]2C[C@H](OC(C)C)C2(C)C)cc(OC)c1OCC(F)F ZINC000570881663 823101232 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FC(F)(F)Cn1cc(C[NH2+]C2CC(c3cccc(Br)c3)C2)cn1 ZINC000570904705 823105719 /nfs/dbraw/zinc/10/57/19/823105719.db2.gz NWFMZWZCRKGODH-UHFFFAOYSA-N 1 0 388.231 4.244 20 0 GIADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)NC[C@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC000458916724 823105999 /nfs/dbraw/zinc/10/59/99/823105999.db2.gz AVTOOLRCXKFXGN-NFBKMPQASA-N 1 0 395.547 4.469 20 0 GIADRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)NC[C@@H]3CSc4ccccc43)C2)CC1 ZINC000458921833 823106513 /nfs/dbraw/zinc/10/65/13/823106513.db2.gz RXKCLXRGQYGWDA-RBUKOAKNSA-N 1 0 387.593 4.029 20 0 GIADRO O=C(C1CC[NH+](Cc2cccc(-c3cccnc3)c2)CC1)N1CCCCCC1 ZINC000121035233 823106550 /nfs/dbraw/zinc/10/65/50/823106550.db2.gz ILOPHLBNIAYQIU-UHFFFAOYSA-N 1 0 377.532 4.363 20 0 GIADRO C[N@@H+]1CCC[C@@]2(CCN(Cc3cc4ccccc4nc3N3CCCCC3)C2)C1 ZINC000570914376 823106870 /nfs/dbraw/zinc/10/68/70/823106870.db2.gz VGRCSWMRVFZZDW-XMMPIXPASA-N 1 0 378.564 4.143 20 0 GIADRO CCOc1ccc(NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c(C(F)(F)F)c1 ZINC000121042703 823107659 /nfs/dbraw/zinc/10/76/59/823107659.db2.gz YNQWUPJLTWGTAP-LBPRGKRZSA-N 1 0 375.435 4.202 20 0 GIADRO CCN(c1ccccc1)c1ccc(CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000176054699 823108199 /nfs/dbraw/zinc/10/81/99/823108199.db2.gz QLHUDOSWOGFCSK-XXBNENTESA-N 1 0 394.563 4.469 20 0 GIADRO C[C@@H](C[C@H](O)c1ccc(F)cc1)[NH2+]C1CCC2(CC1)C(=O)Nc1ccccc12 ZINC000121049783 823109112 /nfs/dbraw/zinc/10/91/12/823109112.db2.gz XJYKTUVABCNDSX-SUYMGSSNSA-N 1 0 382.479 4.060 20 0 GIADRO COc1cc(C)c(C[N@H+](C)CCCc2nc(-c3ccccc3)no2)cc1OC ZINC000176059399 823109142 /nfs/dbraw/zinc/10/91/42/823109142.db2.gz CAFKJLDTAMOWIT-UHFFFAOYSA-N 1 0 381.476 4.127 20 0 GIADRO NC(=O)c1ccc(C[NH2+][C@@H](c2ccc(Br)cc2Cl)C2CC2)cc1 ZINC000187690709 823113792 /nfs/dbraw/zinc/11/37/92/823113792.db2.gz FZWRQMBQRUBTKJ-QGZVFWFLSA-N 1 0 393.712 4.442 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1[nH]c2ccc(F)cc2c1Cl ZINC000056240862 823109835 /nfs/dbraw/zinc/10/98/35/823109835.db2.gz AHUARJOYLBUQDG-UHFFFAOYSA-N 1 0 385.870 4.486 20 0 GIADRO CCCN(C(=O)NCc1ncc(C)s1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000176063555 823110221 /nfs/dbraw/zinc/11/02/21/823110221.db2.gz WZSNFVCCEXWLAD-LJQANCHMSA-N 1 0 386.565 4.038 20 0 GIADRO CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000570973892 823113922 /nfs/dbraw/zinc/11/39/22/823113922.db2.gz UQYLFFBTNYTAJL-LPHOPBHVSA-N 1 0 385.943 4.072 20 0 GIADRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)Nc2nc(-c3ccc4c(c3)CCC4)c(C)s2)C1(C)C ZINC000187681166 823111816 /nfs/dbraw/zinc/11/18/16/823111816.db2.gz NGZDBGCARZJBEE-VGOFRKELSA-N 1 0 399.560 4.078 20 0 GIADRO O=C(C[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000570958865 823111943 /nfs/dbraw/zinc/11/19/43/823111943.db2.gz PYXBWGUXAGVCGO-BLLLJJGKSA-N 1 0 390.833 4.188 20 0 GIADRO CCCn1ncc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1C1CC1 ZINC000121068989 823112274 /nfs/dbraw/zinc/11/22/74/823112274.db2.gz OWSGTAHAKAWPDS-UHFFFAOYSA-N 1 0 380.536 4.086 20 0 GIADRO C[C@H]1CCC[N@H+](CCCCNC(=O)CCc2ccc(Br)cc2)C1 ZINC000176078341 823114281 /nfs/dbraw/zinc/11/42/81/823114281.db2.gz GMKMNUZWISULPD-INIZCTEOSA-N 1 0 381.358 4.010 20 0 GIADRO C[C@@H](CNC(=O)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1)[NH+](C)C ZINC000459038797 823119665 /nfs/dbraw/zinc/11/96/65/823119665.db2.gz IKCAZJHEWYSNRJ-AWEZNQCLSA-N 1 0 395.334 4.050 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H](c2ccc(F)c(Cl)c2)C2CC2)C1 ZINC000459008567 823116139 /nfs/dbraw/zinc/11/61/39/823116139.db2.gz LYAPBIAACRRZSL-AUUYWEPGSA-N 1 0 381.923 4.304 20 0 GIADRO COc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2cccc3ccccc32)c(OC)c1 ZINC000121089092 823116390 /nfs/dbraw/zinc/11/63/90/823116390.db2.gz OONWRTUFUFRATG-MRXNPFEDSA-N 1 0 378.472 4.364 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NC[C@H]2CCOC3(CCC3)C2)CC1 ZINC000459014521 823117077 /nfs/dbraw/zinc/11/70/77/823117077.db2.gz KWXBTMHSKCYLSI-CTNGQTDRSA-N 1 0 391.600 4.022 20 0 GIADRO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CCC(=O)Nc1cc(N)ccc1F ZINC000121103862 823119467 /nfs/dbraw/zinc/11/94/67/823119467.db2.gz JIRLCNGQSSGSJP-CYBMUJFWSA-N 1 0 378.517 4.318 20 0 GIADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000459018720 823117717 /nfs/dbraw/zinc/11/77/17/823117717.db2.gz QXRPAERJOLCFDG-YJYMSZOUSA-N 1 0 381.923 4.302 20 0 GIADRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)C[C@H]2CCCCO2)CC1 ZINC000176090851 823117758 /nfs/dbraw/zinc/11/77/58/823117758.db2.gz BGSJIDSYAUUQNX-LJQANCHMSA-N 1 0 398.469 4.087 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CCOC3(CCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000459022866 823118084 /nfs/dbraw/zinc/11/80/84/823118084.db2.gz PCNUZGWJVCKFPZ-BAGYTPMASA-N 1 0 399.579 4.030 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000571009227 823119541 /nfs/dbraw/zinc/11/95/41/823119541.db2.gz ISUAVSHNWDQZIQ-HXUWFJFHSA-N 1 0 394.519 4.069 20 0 GIADRO Fc1ccccc1-c1nc2c(s1)[C@H]([NH2+]CCOC[C@@H]1CCCO1)CCC2 ZINC000121099363 823118209 /nfs/dbraw/zinc/11/82/09/823118209.db2.gz USFZEFVURXGBOU-WMLDXEAASA-N 1 0 376.497 4.112 20 0 GIADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)N[C@H](c2ccc(F)c(Cl)c2)C2CC2)C1 ZINC000459025183 823118345 /nfs/dbraw/zinc/11/83/45/823118345.db2.gz VIRMFLXVLGNKAD-LZQZEXGQSA-N 1 0 379.907 4.056 20 0 GIADRO COc1ccccc1-c1ccc(CN(C(=O)NC[C@H](C)[NH+](C)C)C(C)C)cc1 ZINC000459031965 823119052 /nfs/dbraw/zinc/11/90/52/823119052.db2.gz AEQBLHUMSPRISP-SFHVURJKSA-N 1 0 383.536 4.232 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)[C@H]2SCCc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000176113089 823124439 /nfs/dbraw/zinc/12/44/39/823124439.db2.gz PJNRVSLOSZCLRK-AGHHOFFYSA-N 1 0 380.557 4.186 20 0 GIADRO O=C(C[C@H](Cc1ccccc1)c1ccccc1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000571044962 823124427 /nfs/dbraw/zinc/12/44/27/823124427.db2.gz PKOKRXXSPLQAGH-SGNDLWITSA-N 1 0 376.544 4.251 20 0 GIADRO C[C@@H]([NH2+]C(c1ccccc1)c1ccccc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000121118435 823121868 /nfs/dbraw/zinc/12/18/68/823121868.db2.gz XOFFTXFUNHWHOD-GOSISDBHSA-N 1 0 394.540 4.377 20 0 GIADRO CCOc1cc2c(cc1C[NH2+]CCC(=O)Nc1cccc(Cl)c1)O[C@@H](C)C2 ZINC000571026191 823121869 /nfs/dbraw/zinc/12/18/69/823121869.db2.gz WNPMMGNKEZINKX-AWEZNQCLSA-N 1 0 388.895 4.181 20 0 GIADRO C[C@H]([NH3+])c1ccc(CNC(=O)Nc2ccc(Br)c(C3CC3)n2)cc1 ZINC000571027580 823122257 /nfs/dbraw/zinc/12/22/57/823122257.db2.gz HSJBIRCXXFAIEC-NSHDSACASA-N 1 0 389.297 4.063 20 0 GIADRO CC[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CCCc2cn(C3CCCC3)nc21 ZINC000571027926 823122294 /nfs/dbraw/zinc/12/22/94/823122294.db2.gz WQRYFWIDFXGCON-HXUWFJFHSA-N 1 0 381.524 4.307 20 0 GIADRO C[C@@H](NC(=O)c1c[nH]nc1-c1ccc(Cl)s1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000187737020 823122287 /nfs/dbraw/zinc/12/22/87/823122287.db2.gz GHEHDDZSIHAYQG-CHWSQXEVSA-N 1 0 392.956 4.174 20 0 GIADRO O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)[N@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000571034939 823123172 /nfs/dbraw/zinc/12/31/72/823123172.db2.gz YJFXZAKKLWVONP-YSFYHYPLSA-N 1 0 382.479 4.131 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1cc(F)c(Cl)cc1F ZINC000121129171 823123241 /nfs/dbraw/zinc/12/32/41/823123241.db2.gz KGGLLYSPAVOKFA-UHFFFAOYSA-N 1 0 394.849 4.075 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)N[C@@H]2CCO[C@@H](c3cccs3)C2)CC1 ZINC000459069930 823123571 /nfs/dbraw/zinc/12/35/71/823123571.db2.gz MMQHBASAOFVSMV-RTBURBONSA-N 1 0 393.597 4.122 20 0 GIADRO C[C@@H]([NH2+]CC1=CCN(C(=O)OC(C)(C)C)CC1)c1cnn(Cc2ccccc2)c1 ZINC000187744875 823123997 /nfs/dbraw/zinc/12/39/97/823123997.db2.gz VFDIVDGNEXJPNF-GOSISDBHSA-N 1 0 396.535 4.149 20 0 GIADRO COc1cc(-c2ccccc2)sc1C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000571047170 823124964 /nfs/dbraw/zinc/12/49/64/823124964.db2.gz XBJBZMOZPDSROZ-FQEVSTJZSA-N 1 0 384.545 4.274 20 0 GIADRO COc1cc(C)c([C@H](C)[NH2+]CC2=CCN(C(=O)OC(C)(C)C)CC2)cc1OC ZINC000187749364 823124956 /nfs/dbraw/zinc/12/49/56/823124956.db2.gz YFPKCHQILZGYSM-INIZCTEOSA-N 1 0 390.524 4.230 20 0 GIADRO COc1cc(C)c([C@@H](C)[NH2+]CC2=CCN(C(=O)OC(C)(C)C)CC2)cc1OC ZINC000187749346 823124998 /nfs/dbraw/zinc/12/49/98/823124998.db2.gz YFPKCHQILZGYSM-MRXNPFEDSA-N 1 0 390.524 4.230 20 0 GIADRO Brc1cccc(-c2cnc(CN3CCCC[C@H]3[C@@H]3CC[NH2+]C3)o2)c1 ZINC000571051333 823125303 /nfs/dbraw/zinc/12/53/03/823125303.db2.gz ZOBGPJMGHLPHRX-WBVHZDCISA-N 1 0 390.325 4.068 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)CCCOc2ccccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000176115843 823125414 /nfs/dbraw/zinc/12/54/14/823125414.db2.gz URPIPULXYGMLAY-QUCCMNQESA-N 1 0 384.495 4.154 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)c2ccccc2C(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000176117300 823125947 /nfs/dbraw/zinc/12/59/47/823125947.db2.gz KBIIJDUTRFXFBP-WBVHZDCISA-N 1 0 376.422 4.488 20 0 GIADRO CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C)cc1 ZINC000187757040 823126637 /nfs/dbraw/zinc/12/66/37/823126637.db2.gz WOZRWLHTNHEXEE-QMTMVMCOSA-N 1 0 375.513 4.084 20 0 GIADRO C[C@H]1C[C@@H](NC(=O)CCCOCCc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000176120655 823127078 /nfs/dbraw/zinc/12/70/78/823127078.db2.gz OHHHUVNJFCKJST-URXFXBBRSA-N 1 0 394.559 4.195 20 0 GIADRO COc1ccccc1-c1cc(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)no1 ZINC000056326240 823128214 /nfs/dbraw/zinc/12/82/14/823128214.db2.gz YNZMUPUZOLLDQG-UHFFFAOYSA-N 1 0 391.471 4.241 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1ccc(F)cc1Br ZINC000056326689 823128546 /nfs/dbraw/zinc/12/85/46/823128546.db2.gz QKVHKSUXXYGSRG-UHFFFAOYSA-N 1 0 391.284 4.479 20 0 GIADRO C[C@@H]1Sc2ccc(C(=O)Nc3ccc(CC[NH+]4CCCC4)cc3)cc2NC1=O ZINC000056326405 823128563 /nfs/dbraw/zinc/12/85/63/823128563.db2.gz DKCLSEAXYYBBRK-HNNXBMFYSA-N 1 0 395.528 4.010 20 0 GIADRO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000571078402 823128775 /nfs/dbraw/zinc/12/87/75/823128775.db2.gz LJPLOMBQUGQLHJ-KSSFIOAISA-N 1 0 377.579 4.197 20 0 GIADRO Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000121154660 823128861 /nfs/dbraw/zinc/12/88/61/823128861.db2.gz PXVUDBZXJAFKLL-BEFAXECRSA-N 1 0 390.549 4.203 20 0 GIADRO C[C@@H](Cc1ccc(F)cc1Br)[NH2+][C@H](CO)c1c(F)cccc1F ZINC000571081608 823129177 /nfs/dbraw/zinc/12/91/77/823129177.db2.gz UNHYYJDVONSACX-MGPLVRAMSA-N 1 0 388.227 4.121 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)C1(c2ccccc2)CCOCC1 ZINC000056332794 823129794 /nfs/dbraw/zinc/12/97/94/823129794.db2.gz QOMJJTPTBVOVJY-UHFFFAOYSA-N 1 0 378.516 4.012 20 0 GIADRO Cc1cc(Br)oc1C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000056333015 823129865 /nfs/dbraw/zinc/12/98/65/823129865.db2.gz UESTVLYAOQBLLV-UHFFFAOYSA-N 1 0 377.282 4.241 20 0 GIADRO Cc1coc(-c2ccc(C)c(NC(=O)N[C@@H](Cc3ccccc3)C[NH+](C)C)c2)n1 ZINC000121165674 823130675 /nfs/dbraw/zinc/13/06/75/823130675.db2.gz YVGRMYCYUSAIBE-FQEVSTJZSA-N 1 0 392.503 4.253 20 0 GIADRO Brc1cccc(C2CC([NH2+]Cc3ccc(Cn4cncn4)cc3)C2)c1 ZINC000571090990 823130869 /nfs/dbraw/zinc/13/08/69/823130869.db2.gz SCCOIGDNBVTFBZ-UHFFFAOYSA-N 1 0 397.320 4.125 20 0 GIADRO Cc1nccnc1[C@H](C)[NH2+]C[C@@H](c1ccccc1)N1CCc2sccc2C1 ZINC000187777672 823131074 /nfs/dbraw/zinc/13/10/74/823131074.db2.gz NIBCWMQEYAJUHS-PXNSSMCTSA-N 1 0 378.545 4.297 20 0 GIADRO COc1ccc2cc(CNC(=O)N3CCC(C[N@H+](C)C(C)C)CC3)ccc2c1 ZINC000056343067 823131480 /nfs/dbraw/zinc/13/14/80/823131480.db2.gz YJIOLMCOOVKLHP-UHFFFAOYSA-N 1 0 383.536 4.110 20 0 GIADRO COc1ccc(Cl)cc1CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000176131685 823131663 /nfs/dbraw/zinc/13/16/63/823131663.db2.gz CBVJHDDZNWHBHV-OXQOHEQNSA-N 1 0 386.923 4.060 20 0 GIADRO CCCN(C(=O)N[C@H](C)c1nccn1CC)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000459127866 823132009 /nfs/dbraw/zinc/13/20/09/823132009.db2.gz XUDGSPAAGZGLHT-TZIWHRDSSA-N 1 0 397.567 4.050 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000176134563 823132221 /nfs/dbraw/zinc/13/22/21/823132221.db2.gz MCGBUIVAVIYNLK-OQIJWPOYSA-N 1 0 384.470 4.238 20 0 GIADRO CSc1cccc(N(C(=O)c2cn(C(C)C)nc2C)C2CC[NH+](C)CC2)c1 ZINC000571101887 823132707 /nfs/dbraw/zinc/13/27/07/823132707.db2.gz QMEBSHOKVOHFSV-UHFFFAOYSA-N 1 0 386.565 4.235 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(N[C@H](c2ncc[nH]2)c2ccc(F)cc2)CC1 ZINC000187787746 823133261 /nfs/dbraw/zinc/13/32/61/823133261.db2.gz KOUGXJMVWMQSLI-QFIPXVFZSA-N 1 0 378.495 4.201 20 0 GIADRO C[C@@H]([NH2+]C[C@H](c1ccccc1Cl)N(C)C)c1ccc(Br)cn1 ZINC000571108076 823133287 /nfs/dbraw/zinc/13/32/87/823133287.db2.gz BFSNLDKJLRUMII-SJKOYZFVSA-N 1 0 382.733 4.451 20 0 GIADRO C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000121179552 823133302 /nfs/dbraw/zinc/13/33/02/823133302.db2.gz QFXBKBMZGNGCJD-AEFFLSMTSA-N 1 0 376.460 4.148 20 0 GIADRO C[NH+](C)CCCOc1ccc(CNC(=O)Cc2c[nH]c3ccc(Cl)cc23)cc1 ZINC000121191180 823135605 /nfs/dbraw/zinc/13/56/05/823135605.db2.gz PDQIJOVRDUDXPW-UHFFFAOYSA-N 1 0 399.922 4.011 20 0 GIADRO CC1=CC[N@H+](CCNC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)CC1 ZINC000571111907 823133863 /nfs/dbraw/zinc/13/38/63/823133863.db2.gz DMQIMJBJSYANNE-UHFFFAOYSA-N 1 0 387.483 4.390 20 0 GIADRO COc1ccc([C@H](C[NH2+]C[C@](C)(O)C(F)(F)F)c2c[nH]c3ccccc32)cc1 ZINC000571116288 823134520 /nfs/dbraw/zinc/13/45/20/823134520.db2.gz MMBMMMWDEVPHER-PXNSSMCTSA-N 1 0 392.421 4.211 20 0 GIADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@@H](C)c2cccc(OCc3ccccc3)c2)C1 ZINC000571122158 823135770 /nfs/dbraw/zinc/13/57/70/823135770.db2.gz ZWCHYTRIOUGEDB-PZJWPPBQSA-N 1 0 395.547 4.356 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCC(F)(F)[C@@H](C)C1 ZINC000571132626 823138461 /nfs/dbraw/zinc/13/84/61/823138461.db2.gz DGMRYUCNMSNHHQ-DLBZAZTESA-N 1 0 379.495 4.248 20 0 GIADRO CCOc1ccccc1CN(C)C(=O)NCc1ccc(C[NH+](CC)CC)cc1 ZINC000056370688 823138685 /nfs/dbraw/zinc/13/86/85/823138685.db2.gz HSCADHNNODPFAO-UHFFFAOYSA-N 1 0 383.536 4.269 20 0 GIADRO Cn1cc(-c2nc([C@@H]3CCCCCN3Cc3cccc4ccoc43)no2)cn1 ZINC000571135126 823139053 /nfs/dbraw/zinc/13/90/53/823139053.db2.gz LPAIMZSISLPRSR-SFHVURJKSA-N 1 0 377.448 4.334 20 0 GIADRO CC(C)Cn1cc(C(=O)Nc2cccc3c2OCC[C@H]3[NH+](C)C)c(C(F)F)n1 ZINC000571135978 823139428 /nfs/dbraw/zinc/13/94/28/823139428.db2.gz HBFZPFUKNYTSHC-MRXNPFEDSA-N 1 0 392.450 4.114 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1ccc([C@@H]2CCOC2)cc1)c1ccc(Cl)cc1 ZINC000571139803 823140021 /nfs/dbraw/zinc/14/00/21/823140021.db2.gz FEMGCGDGWQRISB-YLJYHZDGSA-N 1 0 387.911 4.268 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)c2[nH]c3ccccc3c2Cl)CC1 ZINC000056384074 823140828 /nfs/dbraw/zinc/14/08/28/823140828.db2.gz GHQFTIYFTPZWKG-UHFFFAOYSA-N 1 0 382.895 4.216 20 0 GIADRO C[C@H](CCCc1cccnc1)NC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000459189288 823141007 /nfs/dbraw/zinc/14/10/07/823141007.db2.gz BMJQJXGOUXGEOS-UZLBHIALSA-N 1 0 388.943 4.048 20 0 GIADRO Cc1nccnc1[C@H](C)[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000187826934 823141240 /nfs/dbraw/zinc/14/12/40/823141240.db2.gz RGLAKJVOXVCGOO-HNNXBMFYSA-N 1 0 379.426 4.203 20 0 GIADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@@H](C)c1cccc(C)c1 ZINC000459194705 823141548 /nfs/dbraw/zinc/14/15/48/823141548.db2.gz GAMMSQIXAMIPTP-SIKLNZKXSA-N 1 0 380.536 4.147 20 0 GIADRO C[C@@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)c1ncc(-c2ccccc2)o1 ZINC000121221378 823141610 /nfs/dbraw/zinc/14/16/10/823141610.db2.gz RNOWYOQQNQNCDW-IEBWSBKVSA-N 1 0 382.508 4.063 20 0 GIADRO COC(=O)c1csc([C@H](C)[NH2+][C@@H]2CCCN(c3ccccc3Cl)C2=O)c1 ZINC000571152654 823141633 /nfs/dbraw/zinc/14/16/33/823141633.db2.gz NYXYUBMFFWAAJA-SWLSCSKDSA-N 1 0 392.908 4.034 20 0 GIADRO C[C@@H](c1cc(F)ccc1F)N(C)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000056393779 823142053 /nfs/dbraw/zinc/14/20/53/823142053.db2.gz FVNAPDYMAQVHHO-INIZCTEOSA-N 1 0 387.474 4.116 20 0 GIADRO COc1ccc(C)cc1[C@H](C)NC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459197562 823142127 /nfs/dbraw/zinc/14/21/27/823142127.db2.gz CQPDAAOBXWMTQB-FPOVZHCZSA-N 1 0 395.547 4.228 20 0 GIADRO Cc1noc(C)c1C[C@H](C)[NH2+]C[C@H](O)COc1ccc(Oc2ccccc2)cc1 ZINC000571158607 823142313 /nfs/dbraw/zinc/14/23/13/823142313.db2.gz PCYNVFRNKYVQPO-LPHOPBHVSA-N 1 0 396.487 4.044 20 0 GIADRO C[C@@H](c1cc(F)ccc1F)N(C)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000056394789 823142336 /nfs/dbraw/zinc/14/23/36/823142336.db2.gz IMDVZMMVDDAYQP-INIZCTEOSA-N 1 0 387.474 4.463 20 0 GIADRO O=C(NCc1ccc2c[nH+]cn2c1)N1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000459199798 823142875 /nfs/dbraw/zinc/14/28/75/823142875.db2.gz LPCBSKMICJHURE-SFHVURJKSA-N 1 0 386.908 4.064 20 0 GIADRO O=C(Cc1sc(-c2ccccc2)nc1-c1cccs1)NCCC[NH2+]C1CC1 ZINC000571167754 823143287 /nfs/dbraw/zinc/14/32/87/823143287.db2.gz VHPGEGNJXGETHS-UHFFFAOYSA-N 1 0 397.569 4.339 20 0 GIADRO Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)[N@@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)c1 ZINC000571172952 823144143 /nfs/dbraw/zinc/14/41/43/823144143.db2.gz OCWRKLLPSBVBMJ-KGSLCBSSSA-N 1 0 378.516 4.076 20 0 GIADRO O[C@H](C[NH2+]Cc1cc(Br)ccc1OC(F)F)c1ccccc1F ZINC000121235396 823144280 /nfs/dbraw/zinc/14/42/80/823144280.db2.gz SKSAWJQVYDTQLQ-CQSZACIVSA-N 1 0 390.199 4.013 20 0 GIADRO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2cc3cc(Br)ccc3o2)C1 ZINC000571179015 823144496 /nfs/dbraw/zinc/14/44/96/823144496.db2.gz FGZNWOYZUIKRSX-PGKMIFDNSA-N 1 0 384.339 4.365 20 0 GIADRO Cc1c2ccccc2oc1[C@H](C)NC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000056406667 823145013 /nfs/dbraw/zinc/14/50/13/823145013.db2.gz KQOZPEBWSZAMMM-KRWDZBQOSA-N 1 0 392.503 4.161 20 0 GIADRO CC[NH+]1CCC(CNC(=O)N[C@H](C)c2cc(F)c(Cl)cc2Cl)CC1 ZINC000571181536 823145160 /nfs/dbraw/zinc/14/51/60/823145160.db2.gz JDXROBOFZCHFJC-LLVKDONJSA-N 1 0 376.303 4.225 20 0 GIADRO C[C@@H](CCCc1cccnc1)NC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000459221289 823146785 /nfs/dbraw/zinc/14/67/85/823146785.db2.gz SQQCHUDSNWPRHA-LEWJYISDSA-N 1 0 394.563 4.099 20 0 GIADRO CCOc1c(Cl)cc(C(=O)NC[C@H]([NH2+][C@H](C)CC)c2ccco2)cc1OC ZINC000571194884 823146762 /nfs/dbraw/zinc/14/67/62/823146762.db2.gz IKVIYFSWCNWSHL-CJNGLKHVSA-N 1 0 394.899 4.200 20 0 GIADRO O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000056421985 823147508 /nfs/dbraw/zinc/14/75/08/823147508.db2.gz ORNQAZUGXBAWLS-NRFANRHFSA-N 1 0 398.938 4.150 20 0 GIADRO [NH3+][C@@H](CC1CCCCC1)C(=O)Nc1nnc(SCc2cccs2)s1 ZINC000571203953 823147968 /nfs/dbraw/zinc/14/79/68/823147968.db2.gz CQECXIZWAXJXMP-ZDUSSCGKSA-N 1 0 382.580 4.128 20 0 GIADRO COC[C@H]([NH2+]C[C@@H]1CC2c3ccccc3C1c1ccccc12)C1CCOCC1 ZINC000187860800 823148330 /nfs/dbraw/zinc/14/83/30/823148330.db2.gz MTSWKMPJMZJRAN-BSAKGKMISA-N 1 0 377.528 4.315 20 0 GIADRO C[C@@H](NC(=O)C1CCCC1)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000056443010 823150059 /nfs/dbraw/zinc/15/00/59/823150059.db2.gz BPJZTHRPQTWDHG-QGZVFWFLSA-N 1 0 385.552 4.085 20 0 GIADRO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CC[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000571228717 823152136 /nfs/dbraw/zinc/15/21/36/823152136.db2.gz PCNZOZYUTPCDNX-ZJPYXAASSA-N 1 0 380.960 4.260 20 0 GIADRO C[C@@H]([NH2+]C1CCC(CS(C)(=O)=O)CC1)c1cc(F)c(Cl)cc1Cl ZINC000571230206 823152211 /nfs/dbraw/zinc/15/22/11/823152211.db2.gz SOUWUOLBADDEKC-VOMCLLRMSA-N 1 0 382.328 4.387 20 0 GIADRO O=C(C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O)Nc1ccccc1-c1ccccc1 ZINC000571255456 823156447 /nfs/dbraw/zinc/15/64/47/823156447.db2.gz VCXNJGKGSHOHLO-WWNPGLIZSA-N 1 0 378.516 4.308 20 0 GIADRO COc1ccc(C[N@@H+]2CC[C@H](COC(F)F)C2)cc1OCc1ccccc1 ZINC000571245981 823154952 /nfs/dbraw/zinc/15/49/52/823154952.db2.gz FOAOUCOZJGDGTK-SFHVURJKSA-N 1 0 377.431 4.335 20 0 GIADRO CCOc1ccc(-c2nc(C[N@@H+]3CCCN4c5ccccc5C[C@@H]4C3)co2)cc1 ZINC000571247792 823155325 /nfs/dbraw/zinc/15/53/25/823155325.db2.gz FWCBHUAPOPRCAH-OAQYLSRUSA-N 1 0 389.499 4.377 20 0 GIADRO O=C(C[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1)Nc1ccccc1C(F)(F)F ZINC000121287511 823155701 /nfs/dbraw/zinc/15/57/01/823155701.db2.gz VYRKITCGQXALKN-OAHLLOKOSA-N 1 0 380.385 4.348 20 0 GIADRO FC(F)(F)CCN1CCC([NH2+]C[C@@H](Cc2ccccc2)C(F)(F)F)CC1 ZINC000571249437 823155680 /nfs/dbraw/zinc/15/56/80/823155680.db2.gz LASBKRDFELVCOB-OAHLLOKOSA-N 1 0 382.392 4.414 20 0 GIADRO COc1ccc(F)cc1CNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000187904508 823155812 /nfs/dbraw/zinc/15/58/12/823155812.db2.gz NBOPTQOWKBDRCA-DYESRHJHSA-N 1 0 399.510 4.029 20 0 GIADRO Cc1ccc(OC(F)F)c(C[NH2+]Cc2ccc(Cn3ccccc3=O)cc2)c1 ZINC000176223746 823156654 /nfs/dbraw/zinc/15/66/54/823156654.db2.gz HAVJRRDTLMVZAH-UHFFFAOYSA-N 1 0 384.426 4.096 20 0 GIADRO c1ccc2c(c1)CCN(c1ccc(C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCCC4)cn1)C2 ZINC000121297562 823157550 /nfs/dbraw/zinc/15/75/50/823157550.db2.gz NXLLVMVPYFVHQY-QTJGBDASSA-N 1 0 389.543 4.082 20 0 GIADRO O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1cc2ccccc2o1 ZINC000056479066 823158128 /nfs/dbraw/zinc/15/81/28/823158128.db2.gz UPIBDBGWWISYOZ-UHFFFAOYSA-N 1 0 375.472 4.217 20 0 GIADRO CCOC(=O)CC1CC[NH+](Cc2cn(C3CCCC3)nc2-c2ccccn2)CC1 ZINC000459301888 823158511 /nfs/dbraw/zinc/15/85/11/823158511.db2.gz LNCCUUMAPPFBEC-UHFFFAOYSA-N 1 0 396.535 4.225 20 0 GIADRO C[C@@H](C(=O)NCc1ccc(OCCC[NH+](C)C)cc1)c1ccc(Cl)s1 ZINC000176232425 823158824 /nfs/dbraw/zinc/15/88/24/823158824.db2.gz GUSHENWWPJATBR-CQSZACIVSA-N 1 0 380.941 4.152 20 0 GIADRO Oc1cccc(C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)c1Br ZINC000459305141 823159059 /nfs/dbraw/zinc/15/90/59/823159059.db2.gz HLTWEJJQFBABIY-UHFFFAOYSA-N 1 0 386.293 4.411 20 0 GIADRO C[C@@H](C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(Cl)s1 ZINC000176234017 823159463 /nfs/dbraw/zinc/15/94/63/823159463.db2.gz CPYFLWCTRBGOHX-WBVHZDCISA-N 1 0 376.953 4.186 20 0 GIADRO CCC[NH+]1CCC(N(C)Cc2cn(C3CCCC3)nc2-c2ccccn2)CC1 ZINC000459324327 823161386 /nfs/dbraw/zinc/16/13/86/823161386.db2.gz JPVQUIZKBAMGQU-UHFFFAOYSA-N 1 0 381.568 4.366 20 0 GIADRO C[N@@H+]1CCC[C@H](CCNC(=O)N2CCC(F)(c3cccc(Cl)c3)CC2)C1 ZINC000459311262 823159976 /nfs/dbraw/zinc/15/99/76/823159976.db2.gz NOJBFIYTMPUBOF-MRXNPFEDSA-N 1 0 381.923 4.042 20 0 GIADRO FC(F)(F)c1ccc(C[N@@H+]2CCCN(Cc3cnc(C4CC4)nc3)CC2)cc1 ZINC000459311679 823159992 /nfs/dbraw/zinc/15/99/92/823159992.db2.gz SEMYTTLUVNMYQI-UHFFFAOYSA-N 1 0 390.453 4.081 20 0 GIADRO CCN(Cc1c[nH]c2ccccc12)C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000187930755 823160018 /nfs/dbraw/zinc/16/00/18/823160018.db2.gz VTKOFQDYWSOFSB-UHFFFAOYSA-N 1 0 382.552 4.354 20 0 GIADRO CCCOc1ccc(-c2nc(C(=O)N3CCC([C@H]4CC[NH2+]C4)CC3)cs2)cc1 ZINC000571281884 823160057 /nfs/dbraw/zinc/16/00/57/823160057.db2.gz YLPFLARZQCELLB-SFHVURJKSA-N 1 0 399.560 4.061 20 0 GIADRO CC[C@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)c1ccc(Br)cc1Cl ZINC000187934043 823160197 /nfs/dbraw/zinc/16/01/97/823160197.db2.gz ILXLQNXPHLUFNA-DOMZBBRYSA-N 1 0 383.721 4.058 20 0 GIADRO NC(=O)CC[C@H]1CCC[N@H+](C/C=C/c2ccc(OCc3ccccc3)cc2)C1 ZINC000459317446 823160326 /nfs/dbraw/zinc/16/03/26/823160326.db2.gz AZWNXIZQHSEFQQ-FAZYEBOESA-N 1 0 378.516 4.256 20 0 GIADRO CC[NH+]1CCC(NC(=O)N([C@H](C)c2cccc(C(F)(F)F)c2)C2CC2)CC1 ZINC000121310090 823160465 /nfs/dbraw/zinc/16/04/65/823160465.db2.gz MPUAPFSVHIVTLT-CQSZACIVSA-N 1 0 383.458 4.425 20 0 GIADRO CCCOc1ccc([C@@H](C)NC(=O)c2ccc(CC[NH+](C)C)cc2)cc1OC ZINC000571296331 823161652 /nfs/dbraw/zinc/16/16/52/823161652.db2.gz LYAFZPPZFNYFEH-QGZVFWFLSA-N 1 0 384.520 4.079 20 0 GIADRO COCc1cccc(CC(=O)N(c2cccc(SC)c2)C2CC[NH+](C)CC2)c1 ZINC000187946143 823162351 /nfs/dbraw/zinc/16/23/51/823162351.db2.gz JTVFGYJLQLFOTQ-UHFFFAOYSA-N 1 0 398.572 4.225 20 0 GIADRO CCOc1cc(C[N@@H+]2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)ccc1O ZINC000459331132 823162667 /nfs/dbraw/zinc/16/26/67/823162667.db2.gz URMKQMTUIQCOGO-QGZVFWFLSA-N 1 0 397.450 4.360 20 0 GIADRO Cc1coc2ccc(NC(=O)N3CCC(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)cc12 ZINC000187953471 823163043 /nfs/dbraw/zinc/16/30/43/823163043.db2.gz DMPAACXXFDKMBM-CALCHBBNSA-N 1 0 385.508 4.094 20 0 GIADRO CC[C@@H]1CN(C/C=C\c2ccc(OCc3ccccc3)cc2)CC[N@@H+]1C[C@H](C)O ZINC000459333278 823163118 /nfs/dbraw/zinc/16/31/18/823163118.db2.gz IISVEANUVPZJMU-ANTXHOMTSA-N 1 0 394.559 4.056 20 0 GIADRO Cc1coc2ccc(NC(=O)N3CCC(C[NH+]4C[C@H](C)O[C@@H](C)C4)CC3)cc12 ZINC000187953525 823163340 /nfs/dbraw/zinc/16/33/40/823163340.db2.gz DMPAACXXFDKMBM-IRXDYDNUSA-N 1 0 385.508 4.094 20 0 GIADRO C[N@H+](CC1CC1)C[C@H]1CCN(Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000459335295 823163538 /nfs/dbraw/zinc/16/35/38/823163538.db2.gz GIYZORASHARSGL-HXUWFJFHSA-N 1 0 393.579 4.224 20 0 GIADRO CC(=O)N1CCC(C[NH2+][C@@H](c2ccc(Br)cc2Cl)C2CC2)CC1 ZINC000187974429 823166185 /nfs/dbraw/zinc/16/61/85/823166185.db2.gz QECACLFXOXKRAX-GOSISDBHSA-N 1 0 399.760 4.402 20 0 GIADRO Cc1cc(CCC(=O)NC2CC[NH+](C3CCCC3)CC2)ccc1Br ZINC000176255676 823164400 /nfs/dbraw/zinc/16/44/00/823164400.db2.gz FOPUNEDSFGLDRJ-UHFFFAOYSA-N 1 0 393.369 4.213 20 0 GIADRO CCOc1ccccc1Oc1ccccc1C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000176262140 823166347 /nfs/dbraw/zinc/16/63/47/823166347.db2.gz AUPMTCRLMSUJAP-GOSISDBHSA-N 1 0 380.488 4.188 20 0 GIADRO CC(=O)N1CCC(C[NH2+][C@H](c2ccc(Br)cc2Cl)C2CC2)CC1 ZINC000187974458 823166391 /nfs/dbraw/zinc/16/63/91/823166391.db2.gz QECACLFXOXKRAX-SFHVURJKSA-N 1 0 399.760 4.402 20 0 GIADRO c1c(C[N@@H+]2CCCC3(CCOCC3)C2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459345572 823166749 /nfs/dbraw/zinc/16/67/49/823166749.db2.gz NRPHMXFUQBRDLY-UHFFFAOYSA-N 1 0 380.536 4.453 20 0 GIADRO CC[NH+]1CCC(n2nccc2NC(=O)c2ccc(Oc3ccccc3)o2)CC1 ZINC000176264255 823166887 /nfs/dbraw/zinc/16/68/87/823166887.db2.gz JEPALMPOKOGDAC-UHFFFAOYSA-N 1 0 380.448 4.178 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000459346626 823166955 /nfs/dbraw/zinc/16/69/55/823166955.db2.gz UGWYCEGNZANQLD-SFHVURJKSA-N 1 0 389.565 4.132 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)c3ccncc3C(F)(F)F)C2)s1 ZINC000571336776 823167057 /nfs/dbraw/zinc/16/70/57/823167057.db2.gz OXCXENWVLPNVEW-CQSZACIVSA-N 1 0 397.466 4.064 20 0 GIADRO COc1ccc(-c2ccccc2C)cc1C[NH+]1CCC(N2CCCC2=O)CC1 ZINC000459347288 823167486 /nfs/dbraw/zinc/16/74/86/823167486.db2.gz XVYZPMLXDJMYEX-UHFFFAOYSA-N 1 0 378.516 4.257 20 0 GIADRO C/C(=C/c1ccccc1OC(F)F)C[N@H+]1CCC[C@@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000571339294 823167693 /nfs/dbraw/zinc/16/76/93/823167693.db2.gz NHCAFJTXNWRUKA-WWLQXVNKSA-N 1 0 394.506 4.265 20 0 GIADRO c1c(C[N@@H+]2CC[C@H](C3CCOCC3)C2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459349435 823167954 /nfs/dbraw/zinc/16/79/54/823167954.db2.gz XKCPWQANMBSAKM-IBGZPJMESA-N 1 0 380.536 4.309 20 0 GIADRO c1ccc(-n2nnnc2CC[NH2+][C@H]2CC3(CCCCC3)Oc3ccccc32)cc1 ZINC000571346469 823168666 /nfs/dbraw/zinc/16/86/66/823168666.db2.gz VMOSXFMMTPPFPJ-FQEVSTJZSA-N 1 0 389.503 4.021 20 0 GIADRO CCN1CC[C@@H]([NH2+]Cc2cc(F)ccc2OC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000571346684 823168720 /nfs/dbraw/zinc/16/87/20/823168720.db2.gz LMNNYZJEWMGPEV-YLJYHZDGSA-N 1 0 382.401 4.177 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+]CCN2CCc3c(Cl)cccc3C2)s1 ZINC000187999667 823169377 /nfs/dbraw/zinc/16/93/77/823169377.db2.gz PCZUTPGMEHPSKM-CQSZACIVSA-N 1 0 393.984 4.003 20 0 GIADRO CCCO[C@@H]1CCC[N@H+](Cc2cc(Br)c(O)c(OCC)c2)CC1 ZINC000459354788 823169829 /nfs/dbraw/zinc/16/98/29/823169829.db2.gz SRSZOAUAZPAGPH-OAHLLOKOSA-N 1 0 386.330 4.335 20 0 GIADRO COc1cc(C[NH2+]Cc2ccc(Oc3cccc(F)c3)nc2)cc(OC)c1O ZINC000571365854 823171893 /nfs/dbraw/zinc/17/18/93/823171893.db2.gz XHGCIHXRXVSCJV-UHFFFAOYSA-N 1 0 384.407 4.026 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CCC[C@H]1c1cccc(F)c1 ZINC000056562022 823170308 /nfs/dbraw/zinc/17/03/08/823170308.db2.gz JFFYPEAQMBMXPF-QFIPXVFZSA-N 1 0 396.510 4.255 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)N2CCC[C@H]2c2cccc(F)c2)CC1 ZINC000056565345 823171224 /nfs/dbraw/zinc/17/12/24/823171224.db2.gz HZAPUVYYIXZXIG-NRFANRHFSA-N 1 0 396.510 4.337 20 0 GIADRO CN(C)[C@@H](C[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1)c1ccco1 ZINC000459360062 823171266 /nfs/dbraw/zinc/17/12/66/823171266.db2.gz DVNFJIYPPOIFQT-FQEVSTJZSA-N 1 0 379.508 4.046 20 0 GIADRO O=C(Nc1nc(C(F)(F)F)cs1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000056568124 823171469 /nfs/dbraw/zinc/17/14/69/823171469.db2.gz RPNRUBTZKROEPR-UHFFFAOYSA-N 1 0 390.475 4.282 20 0 GIADRO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[NH2+][C@H](c1ccccc1)C(C)(C)CO ZINC000571366738 823172264 /nfs/dbraw/zinc/17/22/64/823172264.db2.gz LRAQWRXQSZOXLR-GAJHUEQPSA-N 1 0 394.515 4.302 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)CCC(=O)c1ccc(F)c(F)c1 ZINC000121375180 823172953 /nfs/dbraw/zinc/17/29/53/823172953.db2.gz BMFFLJLNAVNMAP-UHFFFAOYSA-N 1 0 388.458 4.084 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)NCc1ccccc1N1CCCC1 ZINC000056578047 823173982 /nfs/dbraw/zinc/17/39/82/823173982.db2.gz OHUGQLRUZHUHBB-UHFFFAOYSA-N 1 0 394.563 4.128 20 0 GIADRO CC(C)c1c(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cnn1-c1ccccc1Cl ZINC000188042151 823176016 /nfs/dbraw/zinc/17/60/16/823176016.db2.gz JMWKQEFJXICFQX-HOTGVXAUSA-N 1 0 388.943 4.204 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(NC(=O)c3ccc(C)cc3)c2)[C@@H]1SC ZINC000459381510 823178255 /nfs/dbraw/zinc/17/82/55/823178255.db2.gz CKCKHNFODAEZKP-HBMCJLEFSA-N 1 0 384.545 4.246 20 0 GIADRO CCCCNC(=O)c1ccc(C[NH2+]Cc2c(C)nc3scc(C4CC4)n23)cc1 ZINC000459381271 823178286 /nfs/dbraw/zinc/17/82/86/823178286.db2.gz UWSDDMDWJZBWOC-UHFFFAOYSA-N 1 0 396.560 4.401 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)Cc2cn(C3CCCC3)nc2-c2ccccn2)C[C@@H]1C ZINC000459384846 823179297 /nfs/dbraw/zinc/17/92/97/823179297.db2.gz YEAQHYSEJYKAHA-RXVVDRJESA-N 1 0 381.568 4.365 20 0 GIADRO OCCC1(C[NH2+][C@@H](c2ccccc2)c2cc(Br)ccc2F)CC1 ZINC000188058894 823179452 /nfs/dbraw/zinc/17/94/52/823179452.db2.gz UJGOZRMCJJLZAJ-SFHVURJKSA-N 1 0 378.285 4.430 20 0 GIADRO COc1cc([C@@H](C)[NH2+]Cc2cc(=O)[nH]c(C3CC3)n2)ccc1OCCC(C)C ZINC000459386188 823179941 /nfs/dbraw/zinc/17/99/41/823179941.db2.gz AURYWAAFXLMSBK-OAHLLOKOSA-N 1 0 385.508 4.344 20 0 GIADRO Cc1cc(C)n(-c2ccc(C[NH2+]C3CCN(C4CC4)CC3)c(C(F)(F)F)c2)n1 ZINC000459386872 823179970 /nfs/dbraw/zinc/17/99/70/823179970.db2.gz BSDLHBQJXIFGTA-UHFFFAOYSA-N 1 0 392.469 4.224 20 0 GIADRO COCc1ccc(C[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)cc1 ZINC000459389160 823180468 /nfs/dbraw/zinc/18/04/68/823180468.db2.gz MKJOKRAJNCNWJS-UHFFFAOYSA-N 1 0 376.504 4.496 20 0 GIADRO COc1ccccc1N1CCC([NH2+]Cc2c(C)nc3scc(C4CC4)n23)CC1 ZINC000459388920 823180497 /nfs/dbraw/zinc/18/04/97/823180497.db2.gz MRZNCEWHCUDCKH-UHFFFAOYSA-N 1 0 396.560 4.349 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCC[C@@H]2c2ccccn2)C1 ZINC000056611591 823180656 /nfs/dbraw/zinc/18/06/56/823180656.db2.gz PSMQQYFGXJFCTL-WMZHIEFXSA-N 1 0 392.547 4.360 20 0 GIADRO CC1CC[NH+](Cc2ccccc2CNC(=O)N2CCC[C@H]2c2ccccn2)CC1 ZINC000056611387 823180773 /nfs/dbraw/zinc/18/07/73/823180773.db2.gz MBGVDJKIXYCFQF-QHCPKHFHSA-N 1 0 392.547 4.360 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N(Cc1ccco1)C[C@H]1CCCO1 ZINC000056611644 823180986 /nfs/dbraw/zinc/18/09/86/823180986.db2.gz NRBVFAGBOSBFPO-JOCHJYFZSA-N 1 0 399.535 4.011 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCCS2(=O)=O)c1)c1cc2ccccc2o1 ZINC000188069904 823181623 /nfs/dbraw/zinc/18/16/23/823181623.db2.gz JOULMDCBTXYAJZ-JKSUJKDBSA-N 1 0 384.501 4.385 20 0 GIADRO COc1ccc2c(c1)[C@@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)CCCS2 ZINC000188070679 823181941 /nfs/dbraw/zinc/18/19/41/823181941.db2.gz WSTVORJRERLBNS-FQEVSTJZSA-N 1 0 384.545 4.156 20 0 GIADRO CCOc1cc(C[NH2+]C[C@@H]2CCN(c3ccccc3OC)C2)cc(Cl)c1O ZINC000459393880 823182045 /nfs/dbraw/zinc/18/20/45/823182045.db2.gz GJKSVWALQYUBMP-HNNXBMFYSA-N 1 0 390.911 4.069 20 0 GIADRO CCC(=O)Nc1ccc(NC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)cc1 ZINC000056618778 823182355 /nfs/dbraw/zinc/18/23/55/823182355.db2.gz NDEAXAWSIDHVGS-UHFFFAOYSA-N 1 0 386.540 4.155 20 0 GIADRO C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000571440670 823182792 /nfs/dbraw/zinc/18/27/92/823182792.db2.gz ZNKSMMUONYGLFY-WZFZXHKMSA-N 1 0 375.456 4.054 20 0 GIADRO COc1ccc2c(c1)[C@@H]([NH2+]C1CCN(c3cc(C)nc(C)n3)CC1)CCCS2 ZINC000188115120 823188586 /nfs/dbraw/zinc/18/85/86/823188586.db2.gz NQRSTQVLLKQAEN-FQEVSTJZSA-N 1 0 398.576 4.288 20 0 GIADRO CCOc1cc(C[NH2+]Cc2ccc(F)c(COC)c2)cc(Br)c1O ZINC000459401624 823184574 /nfs/dbraw/zinc/18/45/74/823184574.db2.gz MJWXWJRYCSAQON-UHFFFAOYSA-N 1 0 398.272 4.129 20 0 GIADRO COc1cc([C@H](C)[NH2+]Cc2cc(=O)[nH]c(C3CC3)n2)ccc1OC1CCCC1 ZINC000459402421 823184893 /nfs/dbraw/zinc/18/48/93/823184893.db2.gz ZMLGYXXLZRIDQG-AWEZNQCLSA-N 1 0 383.492 4.240 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1C[NH2+]Cc1cc(N(C)C)nc2ccccc12 ZINC000459418737 823188655 /nfs/dbraw/zinc/18/86/55/823188655.db2.gz IWOSDJAUSCNZSJ-UHFFFAOYSA-N 1 0 391.544 4.486 20 0 GIADRO CCN1CC[C@H]([NH2+][C@@H](C)c2ccc(OC)c(O)c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000571453781 823185188 /nfs/dbraw/zinc/18/51/88/823185188.db2.gz CWYMXMQITARQNU-ODLKPZKQSA-N 1 0 394.437 4.304 20 0 GIADRO CCc1nc(CC[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)cs1 ZINC000459408609 823186371 /nfs/dbraw/zinc/18/63/71/823186371.db2.gz XBEQMRYFSBVIEZ-UHFFFAOYSA-N 1 0 381.549 4.411 20 0 GIADRO Cc1cc(Cl)c2c(c1)[C@H]([NH2+][C@@H]1CCC[C@H](N3CCCC3=O)C1)CCCO2 ZINC000571463901 823186452 /nfs/dbraw/zinc/18/64/52/823186452.db2.gz LZKGTXXVCGDCTC-JTDSTZFVSA-N 1 0 376.928 4.385 20 0 GIADRO Cc1cc(Cl)c2c(c1)[C@H]([NH2+][C@H]1CCC[C@H](N3CCCC3=O)C1)CCCO2 ZINC000571463902 823186555 /nfs/dbraw/zinc/18/65/55/823186555.db2.gz LZKGTXXVCGDCTC-TXPKVOOTSA-N 1 0 376.928 4.385 20 0 GIADRO CCC1(CC)Oc2ccc(NC(=O)N(CC[NH+](C)C)Cc3ccco3)cc2O1 ZINC000188102849 823186775 /nfs/dbraw/zinc/18/67/75/823186775.db2.gz OTXJHXHYOJFFSB-UHFFFAOYSA-N 1 0 387.480 4.163 20 0 GIADRO CCOc1cc(C[NH2+][C@@H](C)Cc2ccc(OC)c(OC)c2)cc(Cl)c1O ZINC000459410166 823186803 /nfs/dbraw/zinc/18/68/03/823186803.db2.gz OZRFKYLUKZBCKX-ZDUSSCGKSA-N 1 0 379.884 4.182 20 0 GIADRO COCc1cc(C[NH2+]CC2(c3ccc(Br)cc3)CCCC2)no1 ZINC000459420408 823188887 /nfs/dbraw/zinc/18/88/87/823188887.db2.gz BLTJDXMCJDVUGG-UHFFFAOYSA-N 1 0 379.298 4.185 20 0 GIADRO O[C@]1(C[NH2+][C@H](c2ccc(Br)cc2Cl)C2CC2)CCSC1 ZINC000188106158 823187236 /nfs/dbraw/zinc/18/72/36/823187236.db2.gz SXBBAAUVBXRTFA-GJZGRUSLSA-N 1 0 376.747 4.011 20 0 GIADRO c1cnn(Cc2ccc(-c3ccccc3C[NH2+]C3CCN(C4CC4)CC3)cc2)c1 ZINC000459412425 823187337 /nfs/dbraw/zinc/18/73/37/823187337.db2.gz VQIKZRYUNPSOJZ-UHFFFAOYSA-N 1 0 386.543 4.315 20 0 GIADRO CN(C)c1cccc(C[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)c1 ZINC000459412764 823187365 /nfs/dbraw/zinc/18/73/65/823187365.db2.gz RUFJYIZKZLEKRB-UHFFFAOYSA-N 1 0 375.520 4.416 20 0 GIADRO C[C@@H]1CN(c2ccccc2C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CCO1 ZINC000459416439 823187905 /nfs/dbraw/zinc/18/79/05/823187905.db2.gz CEWXDGKFUIKGGT-LGVFNWMJSA-N 1 0 393.575 4.054 20 0 GIADRO CC[C@@H](CNC(=O)Nc1cccnc1C(F)(F)F)[N@@H+]1CCc2ccccc2C1 ZINC000571479997 823189011 /nfs/dbraw/zinc/18/90/11/823189011.db2.gz XQDKYXFRMWSQJD-INIZCTEOSA-N 1 0 392.425 4.059 20 0 GIADRO CC[C@@H](C)[NH2+][C@H](CNC(=O)c1cnc(-c2ccc(OC)cc2)s1)c1ccco1 ZINC000571474763 823188048 /nfs/dbraw/zinc/18/80/48/823188048.db2.gz JYSOJGVLGFYREL-RHSMWYFYSA-N 1 0 399.516 4.271 20 0 GIADRO C[N@@H+]1CCC[C@@H](CCNC(=O)Nc2cc(F)ccc2SCC(F)F)C1 ZINC000459418427 823188197 /nfs/dbraw/zinc/18/81/97/823188197.db2.gz ADDUBCUPKZLFRF-LBPRGKRZSA-N 1 0 375.460 4.036 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N1CC=C(c2ccc(F)cc2)CC1 ZINC000188121488 823189716 /nfs/dbraw/zinc/18/97/16/823189716.db2.gz PWUKKTWSYAROKH-FQEVSTJZSA-N 1 0 383.467 4.055 20 0 GIADRO C[C@@H]1CN(c2ccccc2C[NH2+]CCc2coc(-c3ccc(F)cc3)n2)CCO1 ZINC000459427360 823190230 /nfs/dbraw/zinc/19/02/30/823190230.db2.gz NEWHWTJAZOLEDO-QGZVFWFLSA-N 1 0 395.478 4.038 20 0 GIADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)[C@@H]2CCN(c3ccccc3Cl)C2)C1 ZINC000571487019 823190247 /nfs/dbraw/zinc/19/02/47/823190247.db2.gz VUECXRDAEMHBKG-HCXYKTFWSA-N 1 0 389.971 4.030 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1C[NH2+]CCc1nc(C(F)(F)F)cs1 ZINC000459428749 823190582 /nfs/dbraw/zinc/19/05/82/823190582.db2.gz VXJSYZUFTOGKDQ-UHFFFAOYSA-N 1 0 386.468 4.389 20 0 GIADRO CCOC(=O)c1noc(C[NH2+][C@@H]2CCCCC[C@H]2c2ccc(Cl)cc2)n1 ZINC000459453829 823195501 /nfs/dbraw/zinc/19/55/01/823195501.db2.gz NFBRZXJXBIDEFS-JKSUJKDBSA-N 1 0 377.872 4.106 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cn(C(C)C)nc3C2)[C@H]1Sc1ccccc1 ZINC000459435737 823191676 /nfs/dbraw/zinc/19/16/76/823191676.db2.gz PEDBCXUABHKIFK-XYEHWOGUSA-N 1 0 385.577 4.249 20 0 GIADRO CC1(C(=O)NCc2nc3ccccc3s2)CC[NH+](Cc2ccccc2)CC1 ZINC000188136979 823191948 /nfs/dbraw/zinc/19/19/48/823191948.db2.gz ZNZLNWSYCDMWFX-UHFFFAOYSA-N 1 0 379.529 4.215 20 0 GIADRO CCOc1cc(C[NH2+]C[C@H]2CCCO[C@H]2C(C)C)cc(Br)c1O ZINC000459436726 823192005 /nfs/dbraw/zinc/19/20/05/823192005.db2.gz ZETXDTKRAASJRD-KDOFPFPSSA-N 1 0 386.330 4.094 20 0 GIADRO C[N@@H+]1CCC[C@H](CNCc2cccc(O)c2Br)[C@H]1c1cccs1 ZINC000459441449 823192705 /nfs/dbraw/zinc/19/27/05/823192705.db2.gz VZSLTQWYRVNUCI-KDOFPFPSSA-N 1 0 395.366 4.389 20 0 GIADRO CCOc1ccc(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1F ZINC000056703193 823195999 /nfs/dbraw/zinc/19/59/99/823195999.db2.gz JXRHBGBYFVHPAC-QGZVFWFLSA-N 1 0 375.444 4.166 20 0 GIADRO O=C(c1ccncc1)N1CCC([NH2+]Cc2ccc(-c3ccccc3)cc2F)CC1 ZINC000459444405 823193271 /nfs/dbraw/zinc/19/32/71/823193271.db2.gz AMJHGNKZQQSSCB-UHFFFAOYSA-N 1 0 389.474 4.282 20 0 GIADRO CCCOc1ccc(Cl)cc1NC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000571504654 823193290 /nfs/dbraw/zinc/19/32/90/823193290.db2.gz SFHSSPLUDXATDJ-GOSISDBHSA-N 1 0 379.932 4.371 20 0 GIADRO C[C@H](C[NH2+]C1CCN(Cc2ccccn2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000188144712 823193487 /nfs/dbraw/zinc/19/34/87/823193487.db2.gz VNICXRGJNBAFFQ-MRXNPFEDSA-N 1 0 377.454 4.458 20 0 GIADRO CC(=O)Nc1c(C)ccc(NC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1C ZINC000056690466 823193600 /nfs/dbraw/zinc/19/36/00/823193600.db2.gz RFENFNYBOZHOBU-IYBDPMFKSA-N 1 0 388.556 4.141 20 0 GIADRO CCO[C@@H]1C[C@@H]([NH2+][C@H](CCO)c2ccc(OC)cc2)[C@H]1Sc1ccccc1 ZINC000459446367 823193972 /nfs/dbraw/zinc/19/39/72/823193972.db2.gz FGQVFGXIJVSTLP-GXRSIYKFSA-N 1 0 387.545 4.047 20 0 GIADRO CC(C)[C@H](C[NH2+]C[C@@H](O)CO[C@@H](C)c1ccc(Cl)cc1)c1cccnc1 ZINC000571516369 823194865 /nfs/dbraw/zinc/19/48/65/823194865.db2.gz MKPLYPMQNSOKSF-DQLDELGASA-N 1 0 376.928 4.203 20 0 GIADRO COc1cc(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)cc(Cl)c1OCCC(C)C ZINC000571514993 823194911 /nfs/dbraw/zinc/19/49/11/823194911.db2.gz IJYXZHGWPRFMFN-HOCLYGCPSA-N 1 0 382.932 4.021 20 0 GIADRO COc1ccc([C@@H](OC)[C@H](C)[NH2+]Cc2cccc(O)c2Br)cc1 ZINC000459453182 823195113 /nfs/dbraw/zinc/19/51/13/823195113.db2.gz ADAQQTSNSFXRFS-SGTLLEGYSA-N 1 0 380.282 4.029 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C[C@@H](C)O)c2ccccc2)[C@H]1Sc1ccccc1 ZINC000459453525 823195175 /nfs/dbraw/zinc/19/51/75/823195175.db2.gz XMZSZUYNSDDXRF-FVEADEHFSA-N 1 0 385.573 4.469 20 0 GIADRO CCOc1ccc(F)c(NC(=O)N(CC[NH+](C)C)Cc2ccsc2)c1F ZINC000459457340 823196205 /nfs/dbraw/zinc/19/62/05/823196205.db2.gz GQJAMRPKIYTYGD-UHFFFAOYSA-N 1 0 383.464 4.021 20 0 GIADRO CCCCn1ccnc1-c1cccc(NC(=O)NCC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000459459196 823196429 /nfs/dbraw/zinc/19/64/29/823196429.db2.gz REVQPFUIBHMONO-SFHVURJKSA-N 1 0 383.540 4.204 20 0 GIADRO CC1(c2ccccc2)CC([NH2+][C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)C1 ZINC000459459202 823196575 /nfs/dbraw/zinc/19/65/75/823196575.db2.gz HUMFYYDBVQDPDN-UDTLNKQYSA-N 1 0 376.479 4.109 20 0 GIADRO C[C@H]1CC[N@H+](Cn2c3ccccc3nc2SC(F)F)C[C@@H]1n1ccnc1 ZINC000121507448 823196796 /nfs/dbraw/zinc/19/67/96/823196796.db2.gz BOJDLSDHGUBLDI-BBRMVZONSA-N 1 0 377.464 4.088 20 0 GIADRO CCC1(CC)Oc2ccc(NC(=O)N3CC[C@@H](C[NH+]4CCCCC4)C3)cc2O1 ZINC000188166569 823196830 /nfs/dbraw/zinc/19/68/30/823196830.db2.gz OJZOQYDCTOQUPD-KRWDZBQOSA-N 1 0 387.524 4.314 20 0 GIADRO O=C(Nc1cc(F)ccc1OC(F)F)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000121510050 823197379 /nfs/dbraw/zinc/19/73/79/823197379.db2.gz LVLCLSPEAXKVQM-UHFFFAOYSA-N 1 0 393.409 4.167 20 0 GIADRO COc1cccc(Oc2ccc(NC(=O)NC3CC[NH+](C(C)C)CC3)cc2)c1 ZINC000056714934 823198022 /nfs/dbraw/zinc/19/80/22/823198022.db2.gz QQWWCXOJKBTHDC-UHFFFAOYSA-N 1 0 383.492 4.482 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc3c(c2)OC(CC)(CC)O3)C1 ZINC000188176390 823198180 /nfs/dbraw/zinc/19/81/80/823198180.db2.gz MDTDSODHRYLAMW-MRXNPFEDSA-N 1 0 375.513 4.170 20 0 GIADRO C/C(=C\c1cccc(C(F)(F)F)c1)C[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000571566392 823201448 /nfs/dbraw/zinc/20/14/48/823201448.db2.gz PHKGHPLLBDEIDT-DTQAZKPQSA-N 1 0 380.454 4.443 20 0 GIADRO CCCCN(C)C(=O)C1CC[NH+]([C@H](C)c2cccc(Br)c2)CC1 ZINC000121519314 823198998 /nfs/dbraw/zinc/19/89/98/823198998.db2.gz LLVMXUUYZOUCIZ-OAHLLOKOSA-N 1 0 381.358 4.481 20 0 GIADRO COc1c(F)cc(NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1F ZINC000056717987 823199137 /nfs/dbraw/zinc/19/91/37/823199137.db2.gz DUFKEUMNHODFGF-UHFFFAOYSA-N 1 0 389.446 4.281 20 0 GIADRO C[NH+](C)CCN(Cc1ccccc1)Cc1ccccc1OCc1ccncc1 ZINC000571567078 823201275 /nfs/dbraw/zinc/20/12/75/823201275.db2.gz CZPZZSVLAPYQPR-UHFFFAOYSA-N 1 0 375.516 4.224 20 0 GIADRO CC(C)Oc1ccc([C@H](CNC(=O)c2cncc3ccccc32)[NH+](C)C)cc1 ZINC000571552733 823199524 /nfs/dbraw/zinc/19/95/24/823199524.db2.gz CBUHNWKKVGBJRT-QFIPXVFZSA-N 1 0 377.488 4.055 20 0 GIADRO C/C(=C/c1cccc(C(F)(F)F)c1)C[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000571566394 823201315 /nfs/dbraw/zinc/20/13/15/823201315.db2.gz PHKGHPLLBDEIDT-SSZFMOIBSA-N 1 0 380.454 4.443 20 0 GIADRO CCc1nc(C)c([C@@H](C)N(C)C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)s1 ZINC000176398899 823199783 /nfs/dbraw/zinc/19/97/83/823199783.db2.gz IOZIHONUKWNPPV-SJLPKXTDSA-N 1 0 388.581 4.328 20 0 GIADRO COc1ccc(-c2ccccc2C)cc1C[NH2+]CCc1cn2c(n1)SCC2 ZINC000459483108 823202133 /nfs/dbraw/zinc/20/21/33/823202133.db2.gz RQKYXHPHFHMUNM-UHFFFAOYSA-N 1 0 379.529 4.305 20 0 GIADRO Cc1cc(C)c(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)o1 ZINC000176410938 823202386 /nfs/dbraw/zinc/20/23/86/823202386.db2.gz TVOZJMNLMKLEDX-UHFFFAOYSA-N 1 0 383.492 4.353 20 0 GIADRO CC(=O)Nc1ccc(C)c(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)c1 ZINC000188201087 823202517 /nfs/dbraw/zinc/20/25/17/823202517.db2.gz VBNCWGXJYMNSRA-SFHVURJKSA-N 1 0 393.531 4.258 20 0 GIADRO Cc1cc(Br)cc(C)c1NC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000176411891 823202523 /nfs/dbraw/zinc/20/25/23/823202523.db2.gz FXWYNNRCLLZKSR-UHFFFAOYSA-N 1 0 382.346 4.404 20 0 GIADRO C[C@@H]1C[C@@H](CCNC(=O)c2ccoc2C(F)(F)F)C[N@@H+]1Cc1ccccc1 ZINC000571575360 823202662 /nfs/dbraw/zinc/20/26/62/823202662.db2.gz GJVRIVSIIUCZDG-GDBMZVCRSA-N 1 0 380.410 4.329 20 0 GIADRO CC[NH+]1C[C@H](C)N(CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000459490693 823203358 /nfs/dbraw/zinc/20/33/58/823203358.db2.gz YMRNSJRYLUVAIE-YZVOILCLSA-N 1 0 398.378 4.071 20 0 GIADRO C[C@H](Cc1ccc(Br)cc1)[NH2+]CCc1csc(N2CCCC2)n1 ZINC000188209085 823203427 /nfs/dbraw/zinc/20/34/27/823203427.db2.gz HBQDXORUZFYCNX-CQSZACIVSA-N 1 0 394.382 4.269 20 0 GIADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)Nc2cn(C)nc2C2CC2)C1 ZINC000571583305 823203628 /nfs/dbraw/zinc/20/36/28/823203628.db2.gz JQAPCVTVMCNJFR-IAGOWNOFSA-N 1 0 395.551 4.097 20 0 GIADRO Cc1cc(C(C)(C)[NH2+]Cc2cc(=O)[nH]c(C3CC3)n2)ccc1Br ZINC000459494838 823203953 /nfs/dbraw/zinc/20/39/53/823203953.db2.gz BVWLVWAZTJKMKJ-UHFFFAOYSA-N 1 0 376.298 4.155 20 0 GIADRO COc1cccc(N2CCC[C@H]([NH2+]Cc3ccc(C)cc3-c3ccnn3C)C2)c1 ZINC000571583563 823204080 /nfs/dbraw/zinc/20/40/80/823204080.db2.gz NWNMPBBQBRPAKT-FQEVSTJZSA-N 1 0 390.531 4.163 20 0 GIADRO FC(F)(F)COc1ccc(C[NH+]2CCC3(CC2)OCCc2ccccc23)cn1 ZINC000459495714 823204139 /nfs/dbraw/zinc/20/41/39/823204139.db2.gz MRFPPBNNDWRVQN-UHFFFAOYSA-N 1 0 392.421 4.087 20 0 GIADRO C[NH+](C)C[C@H](NC(=O)c1ccc(Oc2ccccc2)nc1)c1ccc(F)cc1 ZINC000571593311 823204837 /nfs/dbraw/zinc/20/48/37/823204837.db2.gz BRAMZRHUGVREDP-FQEVSTJZSA-N 1 0 379.435 4.046 20 0 GIADRO Cc1cnc([C@H](C)NC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)s1 ZINC000176422006 823204853 /nfs/dbraw/zinc/20/48/53/823204853.db2.gz XDLNLGRWGVVNCG-RDJZCZTQSA-N 1 0 386.565 4.386 20 0 GIADRO CCOc1cc(C[NH2+][C@@H](C)c2ccc(Br)cc2OC)ccc1O ZINC000459501401 823205469 /nfs/dbraw/zinc/20/54/69/823205469.db2.gz ZNPSYFXBWQRZJU-LBPRGKRZSA-N 1 0 380.282 4.413 20 0 GIADRO C[C@@H]1CN(c2ccccc2C[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)CCO1 ZINC000459503264 823205594 /nfs/dbraw/zinc/20/55/94/823205594.db2.gz KTSCFWVKDDPDQN-GOSISDBHSA-N 1 0 396.506 4.146 20 0 GIADRO O=C(Nc1ccccc1COc1ccccc1)N1CCC([NH+]2CCCC2)CC1 ZINC000056747731 823206000 /nfs/dbraw/zinc/20/60/00/823206000.db2.gz OTVXEIPYWKNGLX-UHFFFAOYSA-N 1 0 379.504 4.358 20 0 GIADRO O=C(Nc1ccccc1COc1ccccc1)N1CC[NH+](C2CCCC2)CC1 ZINC000056748168 823206269 /nfs/dbraw/zinc/20/62/69/823206269.db2.gz HANLAHILCDUBQT-UHFFFAOYSA-N 1 0 379.504 4.358 20 0 GIADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H](C)c2ccc3cc(OC)ccc3c2)c1 ZINC000121567065 823207272 /nfs/dbraw/zinc/20/72/72/823207272.db2.gz LEXWUAMGPAZKTC-HOTGVXAUSA-N 1 0 398.528 4.168 20 0 GIADRO C[N@@H+]1CC[C@H](NC(=O)c2c(F)cc(C(F)(F)F)cc2F)[C@@H]1c1ccccc1 ZINC000571607772 823207981 /nfs/dbraw/zinc/20/79/81/823207981.db2.gz UQZYEQDSHMORDT-RDJZCZTQSA-N 1 0 384.348 4.159 20 0 GIADRO CC[NH+](CC)CCOc1ccc(NC(=O)Cc2nc(-c3ccco3)oc2C)cc1 ZINC000121569818 823208030 /nfs/dbraw/zinc/20/80/30/823208030.db2.gz WVIKZLISXQPFLT-UHFFFAOYSA-N 1 0 397.475 4.145 20 0 GIADRO CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)Cc1ccc(Br)cc1 ZINC000188241956 823208226 /nfs/dbraw/zinc/20/82/26/823208226.db2.gz BMLGBGJKGGTMJH-CJNGLKHVSA-N 1 0 377.330 4.220 20 0 GIADRO C[C@H](CO[C@@H]1CCOC1)[NH2+][C@@H](C)c1ccc(Br)cc1C(F)(F)F ZINC000188240316 823208310 /nfs/dbraw/zinc/20/83/10/823208310.db2.gz MRTDNQATJYLPMP-NTZNESFSSA-N 1 0 396.247 4.313 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N1CCC[C@H]1c1ccncc1 ZINC000056764307 823209022 /nfs/dbraw/zinc/20/90/22/823209022.db2.gz QOVLWLSAENEFEL-QFIPXVFZSA-N 1 0 378.520 4.479 20 0 GIADRO CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(Br)cc2C(F)(F)F)C1 ZINC000188249924 823209107 /nfs/dbraw/zinc/20/91/07/823209107.db2.gz XHAPPRGTMUNQAB-PWSUYJOCSA-N 1 0 393.247 4.129 20 0 GIADRO COc1ccc([C@H](C)[NH2+]C[C@H](C[C@H](C)O)c2ccccc2)cc1Cn1cccn1 ZINC000121591799 823212432 /nfs/dbraw/zinc/21/24/32/823212432.db2.gz KEUXXOOIMDANMJ-IPJJNNNSSA-N 1 0 393.531 4.145 20 0 GIADRO CS(=O)(=O)c1ccc(C[NH2+]CCc2ccc(Cl)cc2)cc1C(F)(F)F ZINC000459523119 823210710 /nfs/dbraw/zinc/21/07/10/823210710.db2.gz SFNPEFALWJPLCV-UHFFFAOYSA-N 1 0 391.842 4.095 20 0 GIADRO O=C(N[C@H](c1cccc2ccccc21)C(F)(F)F)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000571623703 823210840 /nfs/dbraw/zinc/21/08/40/823210840.db2.gz JJOBGEYRIPMZED-YKTARERQSA-N 1 0 391.437 4.131 20 0 GIADRO COc1ccccc1-c1csc([C@@H]2CCC[N@H+](CCCN3CCCC3=O)C2)n1 ZINC000571626571 823211277 /nfs/dbraw/zinc/21/12/77/823211277.db2.gz YYTOWZAEJFQIKA-QGZVFWFLSA-N 1 0 399.560 4.011 20 0 GIADRO OCC1([C@@H]([NH2+]Cc2ccc(Cl)cc2-n2cncn2)c2ccccc2)CCCC1 ZINC000459549544 823217851 /nfs/dbraw/zinc/21/78/51/823217851.db2.gz WKPGPZNIAHYMTC-NRFANRHFSA-N 1 0 396.922 4.304 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)Nc2ccc(-c3csnn3)cc2)cc1 ZINC000056787068 823213410 /nfs/dbraw/zinc/21/34/10/823213410.db2.gz SPPYSMAOTKPXNN-UHFFFAOYSA-N 1 0 395.532 4.369 20 0 GIADRO C[C@H](NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)[C@@H](C)c1ccccc1 ZINC000176466507 823213757 /nfs/dbraw/zinc/21/37/57/823213757.db2.gz OWXOQAKMCOGAMZ-UXHICEINSA-N 1 0 379.548 4.485 20 0 GIADRO CO[C@H](C)c1nc(C)c(C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)s1 ZINC000176466744 823213996 /nfs/dbraw/zinc/21/39/96/823213996.db2.gz BMQPEYZEYUCEIY-UKRRQHHQSA-N 1 0 375.538 4.018 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)N[C@H](C)C[C@H](O)c1cccs1)c1ccsc1 ZINC000121623945 823217989 /nfs/dbraw/zinc/21/79/89/823217989.db2.gz FOCXAEHWPAXZQC-OIISXLGYSA-N 1 0 395.594 4.004 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+]CCc2nn(C)c3ccccc23)[C@H]1Sc1ccccc1 ZINC000459536999 823214777 /nfs/dbraw/zinc/21/47/77/823214777.db2.gz QZZHZFMAPGQWNO-KSEOMHKRSA-N 1 0 381.545 4.044 20 0 GIADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)o1 ZINC000056795697 823215035 /nfs/dbraw/zinc/21/50/35/823215035.db2.gz LGHRDXCKHDTSJK-OAHLLOKOSA-N 1 0 397.441 4.441 20 0 GIADRO CCOc1cccc2cc([C@H](C)NC(=O)N3CCC(CC[NH+](C)C)CC3)oc21 ZINC000056812082 823218081 /nfs/dbraw/zinc/21/80/81/823218081.db2.gz GUDHWKQRIRWNMX-INIZCTEOSA-N 1 0 387.524 4.266 20 0 GIADRO O=C(N[C@@H]1CCCOc2c(Cl)cccc21)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000571657638 823215245 /nfs/dbraw/zinc/21/52/45/823215245.db2.gz GSABHRNFTKUKSX-KFKAGJAMSA-N 1 0 391.943 4.117 20 0 GIADRO Cc1cccc(-c2noc(CN[C@H](c3ccccc3)C3(CO)CCCC3)n2)c1 ZINC000459538959 823215328 /nfs/dbraw/zinc/21/53/28/823215328.db2.gz WCCIXOASZHUZJG-OAQYLSRUSA-N 1 0 377.488 4.429 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)Nc2ccc(-c3nncs3)cc2)c1 ZINC000459540712 823215589 /nfs/dbraw/zinc/21/55/89/823215589.db2.gz HBOMDOVSLJBXCK-UHFFFAOYSA-N 1 0 395.532 4.369 20 0 GIADRO CN(Cc1ccccc1NC(=O)NCC[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000459543546 823216207 /nfs/dbraw/zinc/21/62/07/823216207.db2.gz MPXKKOGYCHJJNN-IBGZPJMESA-N 1 0 380.536 4.176 20 0 GIADRO O=C1CC[C@@H]([NH2+]C/C=C/c2ccc(OCc3ccccc3)cc2)C2(CCC2)N1 ZINC000459542740 823216332 /nfs/dbraw/zinc/21/63/32/823216332.db2.gz LWSSBULVFCCTBR-YKNILIKBSA-N 1 0 376.500 4.070 20 0 GIADRO S=c1oc(-c2cc3ccccc3o2)nn1CN1CC[NH+](C2CCCC2)CC1 ZINC000176477177 823216544 /nfs/dbraw/zinc/21/65/44/823216544.db2.gz DTNVMVNURGLOOZ-UHFFFAOYSA-N 1 0 384.505 4.136 20 0 GIADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459547926 823217551 /nfs/dbraw/zinc/21/75/51/823217551.db2.gz PNFGNCQMPAHXNQ-GHTZIAJQSA-N 1 0 379.552 4.119 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1ccc(Br)cc1C(F)(F)F ZINC000188308552 823217609 /nfs/dbraw/zinc/21/76/09/823217609.db2.gz VAOUYRUZSDACMZ-SKDRFNHKSA-N 1 0 388.231 4.399 20 0 GIADRO Brc1ccc([C@@H]([NH2+][C@@H]2CCc3n[nH]cc3C2)c2ccccc2)cc1 ZINC000188308581 823217638 /nfs/dbraw/zinc/21/76/38/823217638.db2.gz QMGMXVZAWKFYJB-QUCCMNQESA-N 1 0 382.305 4.409 20 0 GIADRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@H](C)c3cnn(-c4cc(C)ccc4C)c3C)[C@@H]2C1 ZINC000571678887 823217746 /nfs/dbraw/zinc/21/77/46/823217746.db2.gz BAFDQXBKVFJYBH-TZMOSPSESA-N 1 0 394.563 4.095 20 0 GIADRO CN(C(=O)NC1CC[NH+](C2CCCCC2)CC1)[C@H]1CCCN(c2ccccc2)C1 ZINC000176493365 823220392 /nfs/dbraw/zinc/22/03/92/823220392.db2.gz GPQFVOSBBCUFBQ-QHCPKHFHSA-N 1 0 398.595 4.094 20 0 GIADRO COc1ccc(C[NH2+]CCc2nc3ccccc3s2)cc1Br ZINC000409447009 823221237 /nfs/dbraw/zinc/22/12/37/823221237.db2.gz MTVIRMKMBQIBQP-UHFFFAOYSA-N 1 0 377.307 4.400 20 0 GIADRO CC[N@H+](C)CCNC(=O)N[C@@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000121626208 823218561 /nfs/dbraw/zinc/21/85/61/823218561.db2.gz BXBCRQGCANIDLR-LBPRGKRZSA-N 1 0 380.945 4.084 20 0 GIADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CC[C@@H](COCc2ccccc2)C1 ZINC000176488276 823219271 /nfs/dbraw/zinc/21/92/71/823219271.db2.gz CAPBPWRRYDVAFW-OAQYLSRUSA-N 1 0 399.579 4.032 20 0 GIADRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cccc(OCc4ccccc4)c3)[C@H]2C1 ZINC000571717630 823223865 /nfs/dbraw/zinc/22/38/65/823223865.db2.gz FHGJWTWTXCNEEP-OEMFJLHTSA-N 1 0 378.516 4.002 20 0 GIADRO C[C@@H](NC(=O)NC[C@H](c1ccsc1)[NH+](C)C)c1ccccc1C(F)(F)F ZINC000056853716 823224421 /nfs/dbraw/zinc/22/44/21/823224421.db2.gz PIZXMTXTYFBMGH-MLGOLLRUSA-N 1 0 385.455 4.430 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(-n3cc[nH]c3=S)cc2)cc1 ZINC000188352309 823224518 /nfs/dbraw/zinc/22/45/18/823224518.db2.gz XVQHTVHXXIZXHP-UHFFFAOYSA-N 1 0 380.517 4.255 20 0 GIADRO CC(C)C[C@H]([NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1)c1nc(-c2nc[nH]n2)no1 ZINC000188371332 823228172 /nfs/dbraw/zinc/22/81/72/823228172.db2.gz TUZXAJDNSMSNJD-LLGFUMIMSA-N 1 0 380.496 4.042 20 0 GIADRO CCOc1cc(C[NH2+]C[C@@H]2CCO[C@H](C(C)C)C2)cc(Br)c1O ZINC000459580307 823224705 /nfs/dbraw/zinc/22/47/05/823224705.db2.gz PBCLRHSPQXOFNN-CJNGLKHVSA-N 1 0 386.330 4.094 20 0 GIADRO COCc1cc(C[NH2+]CC(C)(C)c2ccc(Br)cc2Cl)no1 ZINC000459582604 823224967 /nfs/dbraw/zinc/22/49/67/823224967.db2.gz DYSGHJXRJVWNBV-UHFFFAOYSA-N 1 0 387.705 4.304 20 0 GIADRO OC[C@H](C[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1)C1CCCCC1 ZINC000459581310 823225042 /nfs/dbraw/zinc/22/50/42/823225042.db2.gz BVTAUTVIEBZRDU-FQEVSTJZSA-N 1 0 382.552 4.339 20 0 GIADRO CN(C(=O)CCN1CCC[C@@H]1c1ccc(Br)cn1)c1ccccc1 ZINC000459584042 823225297 /nfs/dbraw/zinc/22/52/97/823225297.db2.gz ALPLGTOZOQPRAT-GOSISDBHSA-N 1 0 388.309 4.034 20 0 GIADRO O=C(C[NH+]1CCCCCC1)Nc1ccc(NC(=O)c2ccoc2C2CC2)cc1 ZINC000409463190 823225326 /nfs/dbraw/zinc/22/53/26/823225326.db2.gz DDUWAADFEZIWJJ-UHFFFAOYSA-N 1 0 381.476 4.224 20 0 GIADRO CCSc1cccc(Br)c1NC(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000571724889 823225560 /nfs/dbraw/zinc/22/55/60/823225560.db2.gz RKYXFBMFIDELQA-VXGBXAGGSA-N 1 0 386.359 4.117 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)N1CCC[C@H]1c1cccc(F)c1 ZINC000056889893 823228445 /nfs/dbraw/zinc/22/84/45/823228445.db2.gz DTNOJUNHMDFMHN-QFIPXVFZSA-N 1 0 399.485 4.476 20 0 GIADRO CON1CCC([N@H+](C)Cc2c(-c3ccc(Cl)cc3)nc3sccn23)CC1 ZINC000459589578 823226042 /nfs/dbraw/zinc/22/60/42/823226042.db2.gz QUJQDCHAUZWEKW-UHFFFAOYSA-N 1 0 390.940 4.174 20 0 GIADRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)c3ccc(C4CCCC4)cc3)nc2)C1 ZINC000571726839 823226079 /nfs/dbraw/zinc/22/60/79/823226079.db2.gz ILMTXQIXSOGGQU-NRFANRHFSA-N 1 0 378.520 4.132 20 0 GIADRO CC(=O)Nc1ccc(Cl)c(C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)c1 ZINC000121670521 823227123 /nfs/dbraw/zinc/22/71/23/823227123.db2.gz RAHUDWMZQGDJKV-CQSZACIVSA-N 1 0 387.911 4.158 20 0 GIADRO CC1CC[NH+]([C@@H](CNC(=O)c2occc2Br)c2cccs2)CC1 ZINC000176526282 823229266 /nfs/dbraw/zinc/22/92/66/823229266.db2.gz UJDLNSXDKCTEEQ-AWEZNQCLSA-N 1 0 397.338 4.307 20 0 GIADRO CCOCC[C@@H](O)C[NH2+][C@@H](c1ccc(OC)cc1C)c1ccccc1Cl ZINC000571755047 823230708 /nfs/dbraw/zinc/23/07/08/823230708.db2.gz SRFMVVVZVFTHIE-IERDGZPVSA-N 1 0 377.912 4.124 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC[C@@H](O)Cc3ccc(C(F)(F)F)cc3)ccc21 ZINC000571756437 823231066 /nfs/dbraw/zinc/23/10/66/823231066.db2.gz MDHKMXYVKAYJDO-ICSRJNTNSA-N 1 0 378.438 4.270 20 0 GIADRO Cc1ccc(CCC2CCN(C(=O)C[NH2+][C@@H](C)c3cncc(F)c3)CC2)cc1 ZINC000459621964 823231338 /nfs/dbraw/zinc/23/13/38/823231338.db2.gz ORXLNZGQTAPJDQ-SFHVURJKSA-N 1 0 383.511 4.051 20 0 GIADRO C[C@H](NC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)c1cccc(OC(F)F)c1 ZINC000056936933 823233027 /nfs/dbraw/zinc/23/30/27/823233027.db2.gz KQQDYOQMJYCWQM-SCLBCKFNSA-N 1 0 395.425 4.090 20 0 GIADRO COc1cccc([C@@H](CNC(=O)c2cccc(-c3ccccn3)c2C)[NH+](C)C)c1 ZINC000121695231 823232199 /nfs/dbraw/zinc/23/21/99/823232199.db2.gz BBTPBYVCCPAWCC-HSZRJFAPSA-N 1 0 389.499 4.098 20 0 GIADRO C[C@@H](c1ccco1)N(C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)C1CC1 ZINC000121696130 823232229 /nfs/dbraw/zinc/23/22/29/823232229.db2.gz CZKHMKFTMZAHPM-INIZCTEOSA-N 1 0 385.483 4.318 20 0 GIADRO C[C@@H](CCCc1cccnc1)[NH2+][C@@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000459631804 823233120 /nfs/dbraw/zinc/23/31/20/823233120.db2.gz CBLDWAKWCHAUCX-GJZGRUSLSA-N 1 0 395.425 4.308 20 0 GIADRO [NH3+]C[C@H]1CCCN(C(=O)Nc2cccnc2Oc2ccc(Cl)cc2Cl)C1 ZINC000571771747 823232388 /nfs/dbraw/zinc/23/23/88/823232388.db2.gz QAPHBNQJHCKNFN-GFCCVEGCSA-N 1 0 395.290 4.383 20 0 GIADRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)Nc1cc(F)c(Br)cc1Cl ZINC000571770501 823232518 /nfs/dbraw/zinc/23/25/18/823232518.db2.gz FPWNKVVFWJCDTC-SECBINFHSA-N 1 0 380.689 4.092 20 0 GIADRO Cc1nc(Cc2ccccc2)sc1C(=O)N(CC(C)C)C1CC[NH+](C)CC1 ZINC000056986488 823237782 /nfs/dbraw/zinc/23/77/82/823237782.db2.gz LCZGJKYONQZKCS-UHFFFAOYSA-N 1 0 385.577 4.235 20 0 GIADRO O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)[C@H]1CCC(=O)c2ccccc21 ZINC000571781983 823233658 /nfs/dbraw/zinc/23/36/58/823233658.db2.gz MWTLIHQMIZEJEI-QFIPXVFZSA-N 1 0 392.499 4.250 20 0 GIADRO CC(C)(C)[NH+]1CCC(NC(=O)Nc2cc(F)c(Br)cc2F)CC1 ZINC000121707283 823234521 /nfs/dbraw/zinc/23/45/21/823234521.db2.gz ZEGUYMHWMYZSSL-UHFFFAOYSA-N 1 0 390.272 4.112 20 0 GIADRO CCOc1cc(CN(C)C(=O)CC[C@@H]([NH3+])c2ccccc2)ccc1OC(F)F ZINC000571789414 823234727 /nfs/dbraw/zinc/23/47/27/823234727.db2.gz HBJXRXSMCNRDJQ-QGZVFWFLSA-N 1 0 392.446 4.125 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(C)(C)Cc2nc3ccccc3[nH]2)C1 ZINC000409511113 823237517 /nfs/dbraw/zinc/23/75/17/823237517.db2.gz VDSIJYVBZYLPQC-MJGOQNOKSA-N 1 0 390.531 4.083 20 0 GIADRO C[C@H](CCCc1cccnc1)[NH2+]CC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000459639286 823235280 /nfs/dbraw/zinc/23/52/80/823235280.db2.gz KCQPEJDCPPXCRS-JPYJTQIMSA-N 1 0 393.556 4.350 20 0 GIADRO C[C@H](CCCc1cccnc1)[NH2+][C@@H](C)C(=O)N[C@H](C)c1cc2ccccc2o1 ZINC000459638900 823235303 /nfs/dbraw/zinc/23/53/03/823235303.db2.gz JXTOFFPUJGLCOI-KURKYZTESA-N 1 0 379.504 4.395 20 0 GIADRO C[C@H](CCCc1cccnc1)[NH2+]CC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000459638083 823235309 /nfs/dbraw/zinc/23/53/09/823235309.db2.gz JABZMCZGRQHPIB-MOPGFXCFSA-N 1 0 375.516 4.413 20 0 GIADRO CCOc1ccc(OCC[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)cc1 ZINC000459640474 823235706 /nfs/dbraw/zinc/23/57/06/823235706.db2.gz LFLTUNYVQMIWSG-GOSISDBHSA-N 1 0 387.442 4.145 20 0 GIADRO C[NH+](C)CCN(Cc1ccccc1)C(=O)Nc1cc(F)ccc1OC(F)F ZINC000121712882 823235844 /nfs/dbraw/zinc/23/58/44/823235844.db2.gz RSCVQODTZTZLAT-UHFFFAOYSA-N 1 0 381.398 4.023 20 0 GIADRO Cc1ccccc1-n1nccc1C[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459646955 823237679 /nfs/dbraw/zinc/23/76/79/823237679.db2.gz IZUPIQSGGDHXTA-LJQANCHMSA-N 1 0 393.453 4.362 20 0 GIADRO C[NH+](C)CC1CCN(C(=O)CSCc2ccc(Cl)cc2Cl)CC1 ZINC000056983271 823237763 /nfs/dbraw/zinc/23/77/63/823237763.db2.gz SKUPSUHWQRQJBO-UHFFFAOYSA-N 1 0 375.365 4.027 20 0 GIADRO CCC[N@H+](CC)Cc1ccc(C(=O)NCCc2nc3c(cccc3C)o2)cc1 ZINC000409507341 823236626 /nfs/dbraw/zinc/23/66/26/823236626.db2.gz ISWOWPDAMZOHDN-UHFFFAOYSA-N 1 0 379.504 4.341 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H](C)c1nc2c(s1)CCC2 ZINC000459644608 823236720 /nfs/dbraw/zinc/23/67/20/823236720.db2.gz FHMPZKMIIUZAIW-RYUDHWBXSA-N 1 0 393.940 4.362 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CCc2cccc(Br)c2)cc1NC(C)=O ZINC000459643871 823236750 /nfs/dbraw/zinc/23/67/50/823236750.db2.gz OSLIIQLAMHJPHG-ZDUSSCGKSA-N 1 0 391.309 4.309 20 0 GIADRO CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]CCN2CCc3ccccc3C2)cc1 ZINC000121727223 823237897 /nfs/dbraw/zinc/23/78/97/823237897.db2.gz UJKHUQYWDJNRDV-LJQANCHMSA-N 1 0 394.563 4.269 20 0 GIADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2sc(-c3ccc(C)o3)nc2C)o1 ZINC000056986075 823237919 /nfs/dbraw/zinc/23/79/19/823237919.db2.gz HLWQRDKZAUCCPX-UHFFFAOYSA-N 1 0 387.505 4.125 20 0 GIADRO C[C@H](CCCc1cccnc1)[NH2+][C@@H](C)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000459648078 823238097 /nfs/dbraw/zinc/23/80/97/823238097.db2.gz UVYQPFANTGKIJZ-CVEARBPZSA-N 1 0 391.918 4.222 20 0 GIADRO Cc1ccc(NC(=O)C[NH2+][C@@H](C)CCCc2cccnc2)c(Br)c1 ZINC000459647908 823238135 /nfs/dbraw/zinc/23/81/35/823238135.db2.gz UMXVCSSXMNBUKQ-HNNXBMFYSA-N 1 0 390.325 4.092 20 0 GIADRO FC(F)(F)[C@H]1CC[N@H+](Cc2c[nH]nc2-c2cccs2)CC12CCOCC2 ZINC000459648995 823238448 /nfs/dbraw/zinc/23/84/48/823238448.db2.gz LJFNUHCAEKXOMH-HNNXBMFYSA-N 1 0 385.455 4.319 20 0 GIADRO C[C@@H](CCCc1cccnc1)[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000459648678 823238610 /nfs/dbraw/zinc/23/86/10/823238610.db2.gz VAZOVZRZIAHCON-WMLDXEAASA-N 1 0 383.319 4.129 20 0 GIADRO CC[NH+]1CCC(N(C)C(=O)c2ccc3c(c2)ncn3-c2cc(C)ccc2C)CC1 ZINC000409515930 823238849 /nfs/dbraw/zinc/23/88/49/823238849.db2.gz VVKJVHNJNGFWSI-UHFFFAOYSA-N 1 0 390.531 4.199 20 0 GIADRO C[C@@H](CCCc1cccnc1)[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000459651549 823239507 /nfs/dbraw/zinc/23/95/07/823239507.db2.gz ZIRUVDUYRLLHMX-GOEBONIOSA-N 1 0 383.319 4.129 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H](C)CCCc1cccnc1 ZINC000459652042 823239651 /nfs/dbraw/zinc/23/96/51/823239651.db2.gz PXLYBMJGVJNXEZ-CVEARBPZSA-N 1 0 389.927 4.462 20 0 GIADRO Cc1csc(N2CCC([NH2+]Cc3ccc(Br)c(C)c3)CC2)n1 ZINC000459653144 823239835 /nfs/dbraw/zinc/23/98/35/823239835.db2.gz CUGIPDVFVRHXFW-UHFFFAOYSA-N 1 0 380.355 4.281 20 0 GIADRO FC(F)(F)[C@@H]1CC[N@H+](Cc2cnc([C@@H]3CCCO3)s2)CC12CCOCC2 ZINC000459652849 823239852 /nfs/dbraw/zinc/23/98/52/823239852.db2.gz QXHVNCFVEPAJNR-LSDHHAIUSA-N 1 0 390.471 4.176 20 0 GIADRO COc1ccc(NC(=O)N(CC[NH+](C)C)Cc2cccc(C)c2)cc1SC ZINC000459654006 823240262 /nfs/dbraw/zinc/24/02/62/823240262.db2.gz YDPQPBYNBCZXTL-UHFFFAOYSA-N 1 0 387.549 4.321 20 0 GIADRO COc1cc(C[NH2+][C@@H](C)CCCc2cccnc2)c(Br)cc1O ZINC000459653633 823240334 /nfs/dbraw/zinc/24/03/34/823240334.db2.gz SCHNJTLDGMNERS-ZDUSSCGKSA-N 1 0 379.298 4.059 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(OC)c(SC)c1)c1ccco1 ZINC000459654107 823240374 /nfs/dbraw/zinc/24/03/74/823240374.db2.gz ZANCEGJSUPJINS-OAHLLOKOSA-N 1 0 377.510 4.215 20 0 GIADRO Cc1ccc(OCCCC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c(Cl)c1 ZINC000121739806 823240761 /nfs/dbraw/zinc/24/07/61/823240761.db2.gz GJXDXQDWVCIXNY-GOSISDBHSA-N 1 0 378.944 4.284 20 0 GIADRO Cc1cc(C[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)c2ccccc2n1 ZINC000571829987 823241233 /nfs/dbraw/zinc/24/12/33/823241233.db2.gz ROAUQYCJQLUGBV-NTKDMRAZSA-N 1 0 388.515 4.432 20 0 GIADRO COc1cc(NC(=O)N(CC[NH+](C)C)Cc2ccsc2)cc(OC)c1Cl ZINC000459655964 823241342 /nfs/dbraw/zinc/24/13/42/823241342.db2.gz JJCNSGGUQJKNLZ-UHFFFAOYSA-N 1 0 397.928 4.014 20 0 GIADRO C[C@H]1C[C@H](NC(=O)CSc2nc3ccccc3o2)CC[N@@H+]1Cc1ccccc1 ZINC000176581410 823241452 /nfs/dbraw/zinc/24/14/52/823241452.db2.gz HHOCPSQYHAGTJO-FUHWJXTLSA-N 1 0 395.528 4.089 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CCN1CCc2ccccc2C1 ZINC000121746840 823241972 /nfs/dbraw/zinc/24/19/72/823241972.db2.gz ICAWTGXQFJDZIJ-INIZCTEOSA-N 1 0 378.545 4.222 20 0 GIADRO COc1ccc(NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)cc1SC ZINC000459661480 823243908 /nfs/dbraw/zinc/24/39/08/823243908.db2.gz QTTAANFFEAONKS-UHFFFAOYSA-N 1 0 399.560 4.246 20 0 GIADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(-c3ccccn3)cc2)[C@@H](C)C1 ZINC000571844174 823244050 /nfs/dbraw/zinc/24/40/50/823244050.db2.gz DZINQDHYDXEWHB-GHTZIAJQSA-N 1 0 396.535 4.007 20 0 GIADRO COc1ccc(NC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1SC ZINC000459662723 823244248 /nfs/dbraw/zinc/24/42/48/823244248.db2.gz VJLIZIYZGXFIPH-HNNXBMFYSA-N 1 0 391.562 4.437 20 0 GIADRO CC[C@@H](NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)c1c(C)noc1C ZINC000121755351 823244235 /nfs/dbraw/zinc/24/42/35/823244235.db2.gz FYGRTCUHDWLGMX-CTWPCTMYSA-N 1 0 376.545 4.085 20 0 GIADRO COc1ccc(NC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1SC ZINC000459662924 823244469 /nfs/dbraw/zinc/24/44/69/823244469.db2.gz VJLIZIYZGXFIPH-OAHLLOKOSA-N 1 0 391.562 4.437 20 0 GIADRO CC(C)(C)Oc1cccc(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)n1 ZINC000459663436 823244693 /nfs/dbraw/zinc/24/46/93/823244693.db2.gz OPPVLCWFJWKXPV-INIZCTEOSA-N 1 0 386.458 4.440 20 0 GIADRO C[NH+](C)[C@@H](CN[C@H](c1ncc[nH]1)c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000188480114 823247527 /nfs/dbraw/zinc/24/75/27/823247527.db2.gz JPQGEZMVDMDEGS-OALUTQOASA-N 1 0 388.437 4.410 20 0 GIADRO COc1ccc(C)cc1[C@@H](C)[NH2+][C@H](C)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000459665764 823245808 /nfs/dbraw/zinc/24/58/08/823245808.db2.gz KVJRYDVICNYYHG-HZPDHXFCSA-N 1 0 397.544 4.311 20 0 GIADRO COC(=O)c1cc([C@@H](C)[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)oc1C ZINC000459669942 823246877 /nfs/dbraw/zinc/24/68/77/823246877.db2.gz VDPDTLQQDCNHKH-WBMJQRKESA-N 1 0 389.414 4.117 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)N[C@@H](C)c2ccc(-c3cccnc3)cc2)CC1 ZINC000176606159 823247086 /nfs/dbraw/zinc/24/70/86/823247086.db2.gz RYUUXQVLQUVKFK-SFHVURJKSA-N 1 0 380.536 4.325 20 0 GIADRO CCOC[C@@H]1CCCCN1Cc1csc(N(C(C)=O)c2ccc(F)cc2)n1 ZINC000459680639 823249173 /nfs/dbraw/zinc/24/91/73/823249173.db2.gz WABVIICZHXLELG-IBGZPJMESA-N 1 0 391.512 4.358 20 0 GIADRO O=C(N[C@H]1C[NH2+]CCC1(F)F)c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000571881273 823249460 /nfs/dbraw/zinc/24/94/60/823249460.db2.gz XOKFCYZYACZGTA-INIZCTEOSA-N 1 0 384.348 4.099 20 0 GIADRO CCc1nc(C)c([C@@H](C)N(C)C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)s1 ZINC000176617795 823250256 /nfs/dbraw/zinc/25/02/56/823250256.db2.gz XOFWHBUAXGKDIE-DOTOQJQBSA-N 1 0 388.581 4.237 20 0 GIADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)Nc1ccc(OC)c(SC)c1)c1ccco1 ZINC000459691028 823251243 /nfs/dbraw/zinc/25/12/43/823251243.db2.gz XXSPBOHRSRMOES-ZFWWWQNUSA-N 1 0 377.510 4.261 20 0 GIADRO COCc1cccc(C[NH2+][C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)c1 ZINC000176623448 823251529 /nfs/dbraw/zinc/25/15/29/823251529.db2.gz CBFNQWMCEPNVHC-MRXNPFEDSA-N 1 0 399.844 4.269 20 0 GIADRO COc1cc([C@@H](C)[NH2+]CC2CCN(CC(F)(F)F)CC2)ccc1OC(F)F ZINC000188507452 823252736 /nfs/dbraw/zinc/25/27/36/823252736.db2.gz JGBQWISFUUHXIE-GFCCVEGCSA-N 1 0 396.400 4.222 20 0 GIADRO COc1ccc2c(c1)[C@@H]([NH2+]CC1CCN(CC(F)(F)F)CC1)CCCS2 ZINC000188508722 823253066 /nfs/dbraw/zinc/25/30/66/823253066.db2.gz CWXAKRBNJVUBRK-KRWDZBQOSA-N 1 0 388.499 4.486 20 0 GIADRO O=C(N[C@@H](CC(F)(F)F)c1ccccc1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000057131315 823253228 /nfs/dbraw/zinc/25/32/28/823253228.db2.gz HICDNALXTQLWFI-OALUTQOASA-N 1 0 391.437 4.254 20 0 GIADRO COc1ccc([C@@H](CNC(=O)c2cc(F)c(F)c(F)c2)[NH+]2CCCCC2)cc1 ZINC000409578868 823253447 /nfs/dbraw/zinc/25/34/47/823253447.db2.gz CBLYYNXEVLPRES-LJQANCHMSA-N 1 0 392.421 4.070 20 0 GIADRO C[C@@H](NC(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1)[C@H]1CCCOC1 ZINC000571916885 823253489 /nfs/dbraw/zinc/25/34/89/823253489.db2.gz ATASGFUGTLOAHI-MSOLQXFVSA-N 1 0 391.581 4.201 20 0 GIADRO COc1cccc2c1C[C@H]([NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F)C2 ZINC000459704078 823253831 /nfs/dbraw/zinc/25/38/31/823253831.db2.gz PJUWOWUCTJQEPG-DZGCQCFKSA-N 1 0 392.421 4.188 20 0 GIADRO C#CC[NH+]1CCC(C(=O)N[C@H](c2cccs2)c2ccc(C(C)C)cc2)CC1 ZINC000057138084 823253899 /nfs/dbraw/zinc/25/38/99/823253899.db2.gz DSQXEQOJJUXGID-QFIPXVFZSA-N 1 0 380.557 4.422 20 0 GIADRO COc1cccc2c1C[C@@H]([NH2+]Cc1ccc(OCc3csc(C)n3)cc1)C2 ZINC000459708253 823254580 /nfs/dbraw/zinc/25/45/80/823254580.db2.gz SJLYYISFINTLMU-SFHVURJKSA-N 1 0 380.513 4.296 20 0 GIADRO C[C@H](NC(=O)Cc1csc(-c2ccc(Cl)s2)n1)C(C)(C)C[NH+](C)C ZINC000176637658 823254717 /nfs/dbraw/zinc/25/47/17/823254717.db2.gz ODIZVKOLXFJCFU-NSHDSACASA-N 1 0 385.986 4.160 20 0 GIADRO CN(C(=O)c1ccc(NC/C=C\c2ccc(F)c(F)c2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000571923935 823254861 /nfs/dbraw/zinc/25/48/61/823254861.db2.gz HMURXWPJFNTDKK-BOYDRYHPSA-N 1 0 399.485 4.256 20 0 GIADRO CC(C)NS(=O)(=O)Cc1ccc(C[NH2+]Cc2ccc(-c3ccccc3)o2)cc1 ZINC000121805467 823255081 /nfs/dbraw/zinc/25/50/81/823255081.db2.gz ISKCWWQATLFCFK-UHFFFAOYSA-N 1 0 398.528 4.064 20 0 GIADRO COc1ccc([C@@H]([NH2+]C[C@H]2CC(=O)N(C3CC3)C2)c2ccccc2Cl)cc1 ZINC000571930691 823256056 /nfs/dbraw/zinc/25/60/56/823256056.db2.gz QDHANPADRUVUGD-IVZQSRNASA-N 1 0 384.907 4.039 20 0 GIADRO CC(=O)c1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(Oc3cccnc3)cc2)cc1 ZINC000571929369 823256147 /nfs/dbraw/zinc/25/61/47/823256147.db2.gz ISWDUNNUNQSWJP-MRXNPFEDSA-N 1 0 389.455 4.366 20 0 GIADRO CCCC[NH+]1CCC(NC(=O)C(C)(C)c2ccccc2Br)CC1 ZINC000409592437 823256740 /nfs/dbraw/zinc/25/67/40/823256740.db2.gz CUABUPCAGIJBKO-UHFFFAOYSA-N 1 0 381.358 4.107 20 0 GIADRO OCC1([NH2+]Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)CCSCC1 ZINC000459723435 823256903 /nfs/dbraw/zinc/25/69/03/823256903.db2.gz ISBBUODPGVVCKO-UHFFFAOYSA-N 1 0 388.480 4.177 20 0 GIADRO [NH3+]CCc1ccccc1C(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000571936260 823257239 /nfs/dbraw/zinc/25/72/39/823257239.db2.gz VVZZNPOCZASMGV-UHFFFAOYSA-N 1 0 383.879 4.002 20 0 GIADRO O=C(CCc1ccc(-c2ccccc2)o1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000057166910 823257511 /nfs/dbraw/zinc/25/75/11/823257511.db2.gz SBOIYSUNCREECU-UHFFFAOYSA-N 1 0 389.499 4.055 20 0 GIADRO CCCC[NH+]1CCC(NC(=O)[C@@H](C)Cc2ccc(F)c(Br)c2)CC1 ZINC000121851004 823263005 /nfs/dbraw/zinc/26/30/05/823263005.db2.gz NHUQPFVFPDSULA-AWEZNQCLSA-N 1 0 399.348 4.148 20 0 GIADRO CS(=O)(=O)c1cccc(Oc2ncccc2C[NH2+]C2CCC3(CC3)CC2)c1 ZINC000571949122 823258906 /nfs/dbraw/zinc/25/89/06/823258906.db2.gz CFDIVYLAHKOYSO-UHFFFAOYSA-N 1 0 386.517 4.090 20 0 GIADRO CCCC[NH+]1CCC(NC(=O)[C@H](C)Cc2ccc(F)c(Br)c2)CC1 ZINC000121851179 823263047 /nfs/dbraw/zinc/26/30/47/823263047.db2.gz NHUQPFVFPDSULA-CQSZACIVSA-N 1 0 399.348 4.148 20 0 GIADRO CC(C)[NH+]1CCC(C(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)c[nH]2)CC1 ZINC000571950234 823258940 /nfs/dbraw/zinc/25/89/40/823258940.db2.gz ZTHDLHPRHGRVFL-NRFANRHFSA-N 1 0 380.536 4.251 20 0 GIADRO O=C(C1CC[NH+](Cc2ccccc2)CC1)N1C[C@H]2CCCCN2c2ccccc21 ZINC000571953111 823259274 /nfs/dbraw/zinc/25/92/74/823259274.db2.gz PVKHXYZVXNSZKH-JOCHJYFZSA-N 1 0 389.543 4.304 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1cccc(CO)c1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000121830246 823259352 /nfs/dbraw/zinc/25/93/52/823259352.db2.gz NUZXAPWSTMJNBC-SJORKVTESA-N 1 0 375.472 4.238 20 0 GIADRO COc1ccc([C@@H](CO)C[NH2+]C2CC(c3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000459752366 823260678 /nfs/dbraw/zinc/26/06/78/823260678.db2.gz OSGRFVKGENKGMG-TVRKMHQQSA-N 1 0 379.422 4.326 20 0 GIADRO COc1ccc(C[NH+]2CCC(CCCn3ccnc3)CC2)c(Cl)c1OC ZINC000571961630 823260859 /nfs/dbraw/zinc/26/08/59/823260859.db2.gz XCIALDCPOLOTFZ-UHFFFAOYSA-N 1 0 377.916 4.246 20 0 GIADRO O=C(CSc1nccc2ccccc21)NC1CC[NH+](C2CCCCC2)CC1 ZINC000121841141 823260909 /nfs/dbraw/zinc/26/09/09/823260909.db2.gz GJSFADVDLMRPBZ-UHFFFAOYSA-N 1 0 383.561 4.240 20 0 GIADRO FC(F)(F)[C@H]1CCC[C@@H]([NH2+][C@@H]2CCO[C@H]2c2cncc(Br)c2)C1 ZINC000459775572 823263544 /nfs/dbraw/zinc/26/35/44/823263544.db2.gz XJFKNNYYXFVHBI-MYPMTAMASA-N 1 0 393.247 4.385 20 0 GIADRO Cc1cc(N2CCCC2)ccc1NC(=O)C[N@@H+](C)[C@H](C)Cc1cccc(F)c1 ZINC000459758541 823261328 /nfs/dbraw/zinc/26/13/28/823261328.db2.gz IIWDLGGPLMYQFW-GOSISDBHSA-N 1 0 383.511 4.236 20 0 GIADRO O=C(NC[C@@H]1CCCC(F)(F)C1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000409611441 823261441 /nfs/dbraw/zinc/26/14/41/823261441.db2.gz IWVQZIQHBFBXPV-MRXNPFEDSA-N 1 0 399.913 4.429 20 0 GIADRO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@H](C)c1ccn(C)n1 ZINC000459764612 823261819 /nfs/dbraw/zinc/26/18/19/823261819.db2.gz VBPKVGAQBDDWAL-GHMZBOCLSA-N 1 0 388.821 4.160 20 0 GIADRO CC1CC[NH+](Cc2ccccc2CNC(=O)N2CCC(F)(F)[C@H](C)C2)CC1 ZINC000571967004 823262217 /nfs/dbraw/zinc/26/22/17/823262217.db2.gz HNZBTCLVJHVEIG-QGZVFWFLSA-N 1 0 379.495 4.105 20 0 GIADRO CO[C@@H]1C[C@H]([NH2+]Cc2coc(-c3ccc(Br)cc3)n2)C12CCC2 ZINC000459769601 823262336 /nfs/dbraw/zinc/26/23/36/823262336.db2.gz QXNIZCQISHOXCT-JKSUJKDBSA-N 1 0 377.282 4.151 20 0 GIADRO CO[C@@H]1C[C@@H]([NH2+][C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C12CCC2 ZINC000459770552 823262571 /nfs/dbraw/zinc/26/25/71/823262571.db2.gz RKQHNHLLQCJJMR-VCTAVGKDSA-N 1 0 390.833 4.233 20 0 GIADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)C1 ZINC000176668694 823262673 /nfs/dbraw/zinc/26/26/73/823262673.db2.gz GWLPLTRUHKQRDT-MRXNPFEDSA-N 1 0 397.523 4.248 20 0 GIADRO C[C@H]1C[C@H]1c1ccc(C[NH2+][C@@H]2CCO[C@H]2c2cncc(Br)c2)o1 ZINC000459771848 823262919 /nfs/dbraw/zinc/26/29/19/823262919.db2.gz SZYQHXVGNYTXAV-PLDPNSPWSA-N 1 0 377.282 4.180 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+][C@H](C)c2ccccc2-n2cccn2)cc1 ZINC000121855420 823263656 /nfs/dbraw/zinc/26/36/56/823263656.db2.gz WGPOCNMXNKJFMA-IAGOWNOFSA-N 1 0 398.532 4.046 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@H](C)c2ccccc2-n2cccn2)cc1 ZINC000121855565 823263831 /nfs/dbraw/zinc/26/38/31/823263831.db2.gz WGPOCNMXNKJFMA-DLBZAZTESA-N 1 0 398.532 4.046 20 0 GIADRO FC(F)(F)C1CCC([NH2+][C@@H]2CCO[C@H]2c2cncc(Br)c2)CC1 ZINC000459778013 823263875 /nfs/dbraw/zinc/26/38/75/823263875.db2.gz YYCGJMNSEHWYCD-AXVKAWJUSA-N 1 0 393.247 4.385 20 0 GIADRO CO[C@H]1C[C@@H]([NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C12CCC2 ZINC000459778509 823263937 /nfs/dbraw/zinc/26/39/37/823263937.db2.gz KZIASHJMPNYDSP-YADHBBJMSA-N 1 0 388.515 4.041 20 0 GIADRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)NC[C@H]1CCCC(F)(F)C1 ZINC000409622031 823264021 /nfs/dbraw/zinc/26/40/21/823264021.db2.gz BJIIQBLRVWQUFU-INIZCTEOSA-N 1 0 385.524 4.085 20 0 GIADRO C[C@@H](c1nc2ccccc2s1)N(C)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000057202351 823264219 /nfs/dbraw/zinc/26/42/19/823264219.db2.gz LUWVRWUBLKSPHC-FUHWJXTLSA-N 1 0 396.560 4.172 20 0 GIADRO COc1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1SC ZINC000459783838 823264687 /nfs/dbraw/zinc/26/46/87/823264687.db2.gz VZOLFYBBFXZBGP-QFBILLFUSA-N 1 0 399.560 4.449 20 0 GIADRO Cc1noc(-c2ccccc2)c1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000572010573 823268897 /nfs/dbraw/zinc/26/88/97/823268897.db2.gz COIAETHFNMCIMP-IBGZPJMESA-N 1 0 376.460 4.046 20 0 GIADRO CC1CC[NH+](CCNC(=O)[C@@H]2CC=CC[C@@H]2c2nc3ccccc3s2)CC1 ZINC000057213364 823264973 /nfs/dbraw/zinc/26/49/73/823264973.db2.gz LIXBESAMSHECQL-MSOLQXFVSA-N 1 0 383.561 4.194 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@H]2CCCC(F)(F)C2)CC1 ZINC000409626165 823265133 /nfs/dbraw/zinc/26/51/33/823265133.db2.gz QYQHKOXNCUWLFT-IRXDYDNUSA-N 1 0 379.495 4.337 20 0 GIADRO Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)cc1 ZINC000572010859 823269011 /nfs/dbraw/zinc/26/90/11/823269011.db2.gz SKZLSMCFZCHAMA-AVRDEDQJSA-N 1 0 397.494 4.069 20 0 GIADRO CC(=O)Nc1cccc(C[NH2+][C@@H](C)CC(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000121880641 823269207 /nfs/dbraw/zinc/26/92/07/823269207.db2.gz ASALIUREJLBXDG-ZDUSSCGKSA-N 1 0 393.409 4.171 20 0 GIADRO CC(C)OCC[NH+]1CCC(NC(=O)CCCSc2ccc(Cl)cc2)CC1 ZINC000176686024 823267764 /nfs/dbraw/zinc/26/77/64/823267764.db2.gz WSHLKEPOUNLITK-UHFFFAOYSA-N 1 0 399.000 4.218 20 0 GIADRO [NH3+]CC1CCN(CC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)CC1 ZINC000572001359 823267920 /nfs/dbraw/zinc/26/79/20/823267920.db2.gz PZPRNRUIBJOKIX-UHFFFAOYSA-N 1 0 389.952 4.100 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)cc1F ZINC000121874943 823267989 /nfs/dbraw/zinc/26/79/89/823267989.db2.gz XJZXVASCUUCYIE-DLBZAZTESA-N 1 0 394.412 4.326 20 0 GIADRO CCSc1cccnc1C(=O)Nc1nc2ccccc2n1CC[NH+](CC)CC ZINC000459856277 823268367 /nfs/dbraw/zinc/26/83/67/823268367.db2.gz KQUZKHOWURFJMK-UHFFFAOYSA-N 1 0 397.548 4.137 20 0 GIADRO O=C(Nc1ccc(OC2CCCC2)c(Cl)c1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000409643929 823271653 /nfs/dbraw/zinc/27/16/53/823271653.db2.gz HDFXORYMWODHAZ-HZPDHXFCSA-N 1 0 377.916 4.410 20 0 GIADRO O=C(N[C@@H](c1cccc(F)c1)c1ccccn1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000121896975 823272318 /nfs/dbraw/zinc/27/23/18/823272318.db2.gz KZEGQRWARNFDDB-AVRDEDQJSA-N 1 0 381.495 4.081 20 0 GIADRO O=C(Nc1ccc(OC2CCCC2)c(Cl)c1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000409647113 823272810 /nfs/dbraw/zinc/27/28/10/823272810.db2.gz YSXNWKBYIRRAEB-ROUUACIJSA-N 1 0 377.916 4.410 20 0 GIADRO Clc1ccc(COC2CC[NH+](Cc3c[nH]c4nccnc34)CC2)cc1Cl ZINC000572054190 823274913 /nfs/dbraw/zinc/27/49/13/823274913.db2.gz AVSMOHAOQMICAG-UHFFFAOYSA-N 1 0 391.302 4.398 20 0 GIADRO CCC(=O)N1CC[C@@H]([NH2+][C@@H](Cc2ccc(Cl)cc2)Cc2ccc(CC)cn2)C1 ZINC000572046427 823273610 /nfs/dbraw/zinc/27/36/10/823273610.db2.gz DTVILTWCFIVXDH-YADHBBJMSA-N 1 0 399.966 4.052 20 0 GIADRO Cc1ccc(NC(=O)NCC[N@@H+](C)Cc2ccccc2)c(OCC(F)(F)F)c1 ZINC000409651574 823274374 /nfs/dbraw/zinc/27/43/74/823274374.db2.gz JAWMAFCMWZLKND-UHFFFAOYSA-N 1 0 395.425 4.190 20 0 GIADRO CC1=NN(c2ccc(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)cc2)CC1 ZINC000176724058 823278109 /nfs/dbraw/zinc/27/81/09/823278109.db2.gz RTGLBNKTRUBGMM-SIKLNZKXSA-N 1 0 390.531 4.056 20 0 GIADRO CCOC(=O)C1CCC(O)(C[NH2+][C@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000572076095 823278309 /nfs/dbraw/zinc/27/83/09/823278309.db2.gz FNFIGULLZBTKFZ-XERBYJISSA-N 1 0 381.516 4.044 20 0 GIADRO CCc1ccc(C[N@@H+](Cc2cc(C)nc(N3CCCCC3)n2)CC(C)C)cn1 ZINC000572079693 823279351 /nfs/dbraw/zinc/27/93/51/823279351.db2.gz MBWFHWDODBNHDT-UHFFFAOYSA-N 1 0 381.568 4.391 20 0 GIADRO CO[C@H](C)c1nc(C)c(C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)s1 ZINC000176731132 823279681 /nfs/dbraw/zinc/27/96/81/823279681.db2.gz OWDHLQOGEGWBJZ-HZPDHXFCSA-N 1 0 387.549 4.114 20 0 GIADRO Cc1cc(C)n(-c2ccc(C(=O)N3C[C@@H]4CCC[N@@H+]4Cc4ccccc43)cc2)n1 ZINC000460021475 823279843 /nfs/dbraw/zinc/27/98/43/823279843.db2.gz KDBKDKFDAROLGF-QFIPXVFZSA-N 1 0 386.499 4.114 20 0 GIADRO CCCc1occc1C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000409671512 823279765 /nfs/dbraw/zinc/27/97/65/823279765.db2.gz ZUGXHLVUAZXSFJ-INIZCTEOSA-N 1 0 387.499 4.004 20 0 GIADRO CC(C)c1csc(CNC(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000121909962 823275261 /nfs/dbraw/zinc/27/52/61/823275261.db2.gz CVEHMMKVSSEKQN-SFHVURJKSA-N 1 0 386.565 4.073 20 0 GIADRO COc1cccc2c1CC[C@H]2[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000121910385 823275322 /nfs/dbraw/zinc/27/53/22/823275322.db2.gz OXKBGLBIXLWIDE-HRAATJIYSA-N 1 0 377.488 4.346 20 0 GIADRO Cc1nc(CNC(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)cs1 ZINC000057286033 823275889 /nfs/dbraw/zinc/27/58/89/823275889.db2.gz HDOCAOBSPYMVAL-UHFFFAOYSA-N 1 0 386.565 4.215 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)c2ccc(Cl)nc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000176723089 823277272 /nfs/dbraw/zinc/27/72/72/823277272.db2.gz YQLBLVKGOKVHES-HIFRSBDPSA-N 1 0 378.303 4.171 20 0 GIADRO CC(C)c1ncc(Cl)c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000176723567 823277708 /nfs/dbraw/zinc/27/77/08/823277708.db2.gz IZDOBELXAPCZAL-DOTOQJQBSA-N 1 0 386.927 4.036 20 0 GIADRO FC(F)(F)c1nn(CN2CCC[N@H+](CC3CCCCC3)CC2)c(=S)s1 ZINC000188655118 823281262 /nfs/dbraw/zinc/28/12/62/823281262.db2.gz DQQMYIYPLKEJTC-UHFFFAOYSA-N 1 0 394.532 4.238 20 0 GIADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1 ZINC000006432623 817691771 /nfs/dbraw/zinc/69/17/71/817691771.db2.gz MACBAUCQMGKIJK-VGOFMYFVSA-N 1 0 399.922 4.064 20 0 GIADRO C[NH+](C)CCOc1cccc(CNC(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000409680503 823281677 /nfs/dbraw/zinc/28/16/77/823281677.db2.gz WPJFICSOKJLSGT-UHFFFAOYSA-N 1 0 382.291 4.256 20 0 GIADRO Cc1cccnc1C(C)(C)C[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000572115160 823285596 /nfs/dbraw/zinc/28/55/96/823285596.db2.gz TZTOUVQVLRMYHM-OAHLLOKOSA-N 1 0 383.319 4.004 20 0 GIADRO O=C(NCc1ccc2c(c1)C[NH2+]C2)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000188667399 823283086 /nfs/dbraw/zinc/28/30/86/823283086.db2.gz HIWVVKHXWLWTAI-UHFFFAOYSA-N 1 0 388.311 4.257 20 0 GIADRO CC(=O)c1ccc(OCCCC(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)cc1 ZINC000057367815 823283318 /nfs/dbraw/zinc/28/33/18/823283318.db2.gz VJNCJLOKLRYLFK-UHFFFAOYSA-N 1 0 394.515 4.325 20 0 GIADRO COc1cccc2c1CC[C@@H]2[NH2+][C@@H](C)c1ccc(OC)c(Cn2cccn2)c1 ZINC000121949485 823283391 /nfs/dbraw/zinc/28/33/91/823283391.db2.gz NMCAKQWDGJXTNS-KKSFZXQISA-N 1 0 377.488 4.287 20 0 GIADRO C[C@H](c1cccc(Cl)c1)N(C)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000121950126 823283436 /nfs/dbraw/zinc/28/34/36/823283436.db2.gz WCSBUVDPOGADNC-MRXNPFEDSA-N 1 0 389.927 4.183 20 0 GIADRO Cc1ncc(NC(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c(C2CC2)n1 ZINC000572100990 823283460 /nfs/dbraw/zinc/28/34/60/823283460.db2.gz HSSVAYPWJJGVTO-INIZCTEOSA-N 1 0 393.535 4.216 20 0 GIADRO CCN(C(=O)NCc1cccc(OCC[NH+](C)C)c1)[C@H](C)c1ccc(F)cc1 ZINC000121953188 823284094 /nfs/dbraw/zinc/28/40/94/823284094.db2.gz PHJXJQHJSZSKIN-QGZVFWFLSA-N 1 0 387.499 4.059 20 0 GIADRO [NH3+][C@H]1CCC[C@H](CNC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)C1 ZINC000572119907 823285991 /nfs/dbraw/zinc/28/59/91/823285991.db2.gz BUBYPAKGNXFEPH-HOCLYGCPSA-N 1 0 381.501 4.317 20 0 GIADRO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000409701325 823285867 /nfs/dbraw/zinc/28/58/67/823285867.db2.gz YWUCXYXKASWMHT-JTQLQIEISA-N 1 0 383.336 4.188 20 0 GIADRO CCCc1occc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000409697632 823285005 /nfs/dbraw/zinc/28/50/05/823285005.db2.gz MPDLCUZIZNAMHV-INIZCTEOSA-N 1 0 380.410 4.255 20 0 GIADRO CC1CC[NH+](CCCNC(=O)Cc2csc(-c3ccc(Cl)s3)n2)CC1 ZINC000057384589 823286078 /nfs/dbraw/zinc/28/60/78/823286078.db2.gz CPPWESFBDKHRDR-UHFFFAOYSA-N 1 0 397.997 4.306 20 0 GIADRO COc1ccc(C[C@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000121968666 823286504 /nfs/dbraw/zinc/28/65/04/823286504.db2.gz KZWMVISRUTZIGF-JQVVWYNYSA-N 1 0 380.532 4.043 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(C)(C)Cc2nc3ccccc3[nH]2)C1 ZINC000409704493 823286653 /nfs/dbraw/zinc/28/66/53/823286653.db2.gz YNPQNZIUNVBXCK-MOPGFXCFSA-N 1 0 396.579 4.245 20 0 GIADRO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC(c2ccc(Br)cc2)CC1 ZINC000572155366 823291345 /nfs/dbraw/zinc/29/13/45/823291345.db2.gz GNIZKCYHIZOILY-WUUXGELPSA-N 1 0 391.353 4.076 20 0 GIADRO Cc1ccc2c(CC[NH2+][C@@H](C)CC(=O)Nc3cccnc3Cl)cn(C)c2c1 ZINC000188695734 823287703 /nfs/dbraw/zinc/28/77/03/823287703.db2.gz NPYVNSCEZPYFKQ-HNNXBMFYSA-N 1 0 384.911 4.085 20 0 GIADRO O=C(c1ccc(CSc2ccccc2)cc1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000572155280 823291441 /nfs/dbraw/zinc/29/14/41/823291441.db2.gz DAVGKGQGRAYZNY-NHCUHLMSSA-N 1 0 380.557 4.441 20 0 GIADRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]Cc3ccc(C(=O)N(C)C)[nH]3)s2)cc1 ZINC000176767864 823288172 /nfs/dbraw/zinc/28/81/72/823288172.db2.gz KJUGLTPSUDHYCH-ZDUSSCGKSA-N 1 0 398.532 4.008 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)C1(COC)CCC1)c1ccc(C(F)(F)F)cc1 ZINC000572139987 823288892 /nfs/dbraw/zinc/28/88/92/823288892.db2.gz MJVRCSITMKBPSI-QGZVFWFLSA-N 1 0 386.458 4.021 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccnn2Cc2ccc(C(C)C)cc2)[C@@H](C)C1 ZINC000460133420 823291581 /nfs/dbraw/zinc/29/15/81/823291581.db2.gz JJMDGLOOHSYQEN-GHTZIAJQSA-N 1 0 397.567 4.249 20 0 GIADRO COc1cc(C[NH2+][C@H]2CCCOc3c(C(C)C)cccc32)ccc1OCCO ZINC000121986515 823289092 /nfs/dbraw/zinc/28/90/92/823289092.db2.gz ZHMUEUNHNAOXFU-FQEVSTJZSA-N 1 0 385.504 4.193 20 0 GIADRO COc1ccc(C[N@@H+]2CCC[C@@H]2Cn2cnc3ccccc32)c(Cl)c1OC ZINC000572143287 823289658 /nfs/dbraw/zinc/28/96/58/823289658.db2.gz XXEYIGNGBLDILC-MRXNPFEDSA-N 1 0 385.895 4.372 20 0 GIADRO CC(C)(C(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1ccccc1Br ZINC000409721317 823290698 /nfs/dbraw/zinc/29/06/98/823290698.db2.gz PLOYDXCIGWCXJF-UHFFFAOYSA-N 1 0 393.369 4.204 20 0 GIADRO CCCc1occc1C(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000409721346 823290739 /nfs/dbraw/zinc/29/07/39/823290739.db2.gz QMXQSTDEDOOJRA-UHFFFAOYSA-N 1 0 390.911 4.159 20 0 GIADRO CC(C)[C@H]([NH2+]C[C@H](O)COCc1ccccc1Cl)c1nc2ccccc2[nH]1 ZINC000572149068 823290750 /nfs/dbraw/zinc/29/07/50/823290750.db2.gz QNMFLYYOVUYSJY-JXFKEZNVSA-N 1 0 387.911 4.081 20 0 GIADRO CC[NH+](CC)CCN(Cc1cccs1)C(=S)Nc1ccc(OC)cc1 ZINC000007368273 817825184 /nfs/dbraw/zinc/82/51/84/817825184.db2.gz JGMQHNCLQJUMLD-UHFFFAOYSA-N 1 0 377.579 4.298 20 0 GIADRO O=C(N[C@H](c1c(Cl)cccc1Cl)C1CC1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000460130077 823290963 /nfs/dbraw/zinc/29/09/63/823290963.db2.gz KTVBAKMWQUNCMM-GLJUWKHASA-N 1 0 382.335 4.371 20 0 GIADRO CC(C)N1CCc2nc(NC(=O)CCOc3ccc4ccccc4c3)sc2C1 ZINC000572159180 823292069 /nfs/dbraw/zinc/29/20/69/823292069.db2.gz ZINWFPWXCHOLDO-UHFFFAOYSA-N 1 0 395.528 4.470 20 0 GIADRO CCN(C(=O)Nc1ccccc1-n1cccn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000460135311 823292354 /nfs/dbraw/zinc/29/23/54/823292354.db2.gz UGHFTEFVMRFXEF-HXUWFJFHSA-N 1 0 389.503 4.001 20 0 GIADRO CC[N@H+](CC(=O)N(C)Cc1ccc2cc(OC)ccc2c1)Cc1ccccc1 ZINC000007464853 817848068 /nfs/dbraw/zinc/84/80/68/817848068.db2.gz DREAWFKSAWMOHF-UHFFFAOYSA-N 1 0 376.500 4.329 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccc2ccccc2n1 ZINC000007492025 817854027 /nfs/dbraw/zinc/85/40/27/817854027.db2.gz HCRIYLSATYQLEM-UHFFFAOYSA-N 1 0 379.891 4.283 20 0 GIADRO CC(C)CN(C(=O)c1cncc(-c2ccc(N(C)C)cc2)c1)C1CC[NH+](C)CC1 ZINC000122014744 823293605 /nfs/dbraw/zinc/29/36/05/823293605.db2.gz OOIKMWVKEMIZCR-UHFFFAOYSA-N 1 0 394.563 4.007 20 0 GIADRO CO[C@H](C[NH+]1CCC(NC(=O)c2ccccc2C)CC1)c1ccc(Cl)cc1 ZINC000572172174 823294372 /nfs/dbraw/zinc/29/43/72/823294372.db2.gz JAGGCGBBIMNBBF-OAQYLSRUSA-N 1 0 386.923 4.230 20 0 GIADRO Cc1cc([C@H](C)NC(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c(C)o1 ZINC000460140207 823294420 /nfs/dbraw/zinc/29/44/20/823294420.db2.gz AFTDDFHJWSMALK-IOMROCGXSA-N 1 0 381.520 4.121 20 0 GIADRO COc1ccc(NC(=S)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000007559713 817869442 /nfs/dbraw/zinc/86/94/42/817869442.db2.gz MJONPAPNHWYRNL-LJQANCHMSA-N 1 0 389.952 4.472 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)ccc1OCCO ZINC000122026681 823295467 /nfs/dbraw/zinc/29/54/67/823295467.db2.gz RHBBUIDYYWWDDW-IIBYNOLFSA-N 1 0 397.515 4.120 20 0 GIADRO C[C@@H](C(=O)NCC1([NH+](C)C)Cc2ccccc2C1)c1ccc(C(F)(F)F)cc1 ZINC000409738461 823296020 /nfs/dbraw/zinc/29/60/20/823296020.db2.gz ULIHXOCYYKBTRU-OAHLLOKOSA-N 1 0 390.449 4.024 20 0 GIADRO FC(F)(F)c1cc(Br)cc(CN2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000572185798 823296292 /nfs/dbraw/zinc/29/62/92/823296292.db2.gz QKTLJXPWEPJALD-HNNXBMFYSA-N 1 0 377.248 4.138 20 0 GIADRO Cc1oc(-c2ccccc2)c(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1C ZINC000188745636 823296717 /nfs/dbraw/zinc/29/67/17/823296717.db2.gz DORUDCGZZPTOLE-SFTDATJTSA-N 1 0 396.531 4.061 20 0 GIADRO CCCN(CC[NH+]1CCCCCC1)C(=O)c1sc(C(C)(C)OC)nc1C ZINC000572211763 823301670 /nfs/dbraw/zinc/30/16/70/823301670.db2.gz CJHQZGNIKOZTBA-UHFFFAOYSA-N 1 0 381.586 4.061 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cccn2-c2c(Cl)cccc2Cl)C1 ZINC000409763394 823301841 /nfs/dbraw/zinc/30/18/41/823301841.db2.gz HDHYTXZSDQCQOP-CQSZACIVSA-N 1 0 380.319 4.198 20 0 GIADRO COCCOc1ccccc1NC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000057479715 823301950 /nfs/dbraw/zinc/30/19/50/823301950.db2.gz NSJNZMARZVWLFH-UHFFFAOYSA-N 1 0 397.519 4.019 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(OC)c(Cc3ccccc3)c2)C1 ZINC000176823610 823302570 /nfs/dbraw/zinc/30/25/70/823302570.db2.gz QFUUGWRJGSMXIV-FQEVSTJZSA-N 1 0 395.547 4.482 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000572216661 823302578 /nfs/dbraw/zinc/30/25/78/823302578.db2.gz RNOIJCACMOPGNI-DNVJHFABSA-N 1 0 399.579 4.262 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cc2)cc1Br ZINC000007879269 817948170 /nfs/dbraw/zinc/94/81/70/817948170.db2.gz CGROBJGWOXXJBM-LLVKDONJSA-N 1 0 397.700 4.400 20 0 GIADRO COc1ccc2cc(C[N@H+](C)[C@H](C)C(=O)Nc3ccccc3OC)ccc2c1 ZINC000007926776 817960808 /nfs/dbraw/zinc/96/08/08/817960808.db2.gz QKAOJUOLMMLSPC-MRXNPFEDSA-N 1 0 378.472 4.316 20 0 GIADRO CCOC(=O)Nc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000007941474 817965783 /nfs/dbraw/zinc/96/57/83/817965783.db2.gz IECZBIRMTKTCQB-UHFFFAOYSA-N 1 0 395.503 4.171 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]1COc2ccc(Cl)cc2C1 ZINC000007946117 817966868 /nfs/dbraw/zinc/96/68/68/817966868.db2.gz JWUOCFGJIXUAIW-IBGZPJMESA-N 1 0 386.923 4.049 20 0 GIADRO COc1ccccc1[C@@H](CNc1nc(C)nc2sc3c(c21)CCC3)[NH+](C)C ZINC000007979207 817974524 /nfs/dbraw/zinc/97/45/24/817974524.db2.gz HHXVAJVZDMDRDR-MRXNPFEDSA-N 1 0 382.533 4.212 20 0 GIADRO CC(C)[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1)c1ccc(C(C)(C)C)cc1 ZINC000008001305 817978736 /nfs/dbraw/zinc/97/87/36/817978736.db2.gz MRKSZQCVGAWBQU-HRAATJIYSA-N 1 0 395.547 4.397 20 0 GIADRO CC(C)(C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccccc1Br ZINC000409757081 823299971 /nfs/dbraw/zinc/29/99/71/823299971.db2.gz COHSOFRNRBXWCR-INIZCTEOSA-N 1 0 393.369 4.061 20 0 GIADRO CC[NH+](CC)CCN(CC(C)C)C(=O)Nc1cc(NC(=O)C2CC2)ccc1C ZINC000057543983 823308448 /nfs/dbraw/zinc/30/84/48/823308448.db2.gz LGPCTFWKEUOZFL-UHFFFAOYSA-N 1 0 388.556 4.175 20 0 GIADRO Cc1ccsc1CN(C(=S)NCC[NH+](C)C)c1ccc(F)c(Cl)c1 ZINC000008082555 817995964 /nfs/dbraw/zinc/99/59/64/817995964.db2.gz KQDPDTVQMMCSLX-UHFFFAOYSA-N 1 0 385.961 4.292 20 0 GIADRO CCc1nc(C)c([C@@H](C)[N@H+](C)Cc2cc(=O)oc3cc(NC(C)=O)ccc23)s1 ZINC000122116524 823308566 /nfs/dbraw/zinc/30/85/66/823308566.db2.gz JOWVQCRJAXWHDV-CYBMUJFWSA-N 1 0 399.516 4.272 20 0 GIADRO CCc1ccc2occ(C(=O)NC3CC[NH+]([C@H](C)c4ccncc4)CC3)c2c1 ZINC000572229577 823304827 /nfs/dbraw/zinc/30/48/27/823304827.db2.gz KKQIEWOFTDKXEO-MRXNPFEDSA-N 1 0 377.488 4.346 20 0 GIADRO CCN(CC)C(=O)c1ccc(NC(=O)C[NH2+][C@H](C)c2cccc(Cl)c2)cc1 ZINC000008173744 818011287 /nfs/dbraw/zinc/01/12/87/818011287.db2.gz FESWBXLCTSPUSG-OAHLLOKOSA-N 1 0 387.911 4.111 20 0 GIADRO O=C(c1cc(Cl)ccc1OC1CCCC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000176835264 823305334 /nfs/dbraw/zinc/30/53/34/823305334.db2.gz NZTSGVZJGYVRID-MRXNPFEDSA-N 1 0 376.928 4.219 20 0 GIADRO CC(C)[NH+](CCNC(=O)N[C@@H](C)c1cccc(OCc2ccccn2)c1)C(C)C ZINC000057508199 823305622 /nfs/dbraw/zinc/30/56/22/823305622.db2.gz JQHBEJUCTWBXRC-IBGZPJMESA-N 1 0 398.551 4.140 20 0 GIADRO CCn1c(Cc2ccc3ccccc3c2)nnc1N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000460177351 823306630 /nfs/dbraw/zinc/30/66/30/823306630.db2.gz LMRHMZWCRAQGFG-GCJKJVERSA-N 1 0 391.563 4.351 20 0 GIADRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)CSc2cccc(C(F)(F)F)c2)CC1 ZINC000572241715 823306670 /nfs/dbraw/zinc/30/66/70/823306670.db2.gz AERIEKWNWPFOIJ-QGZVFWFLSA-N 1 0 386.483 4.034 20 0 GIADRO Cc1cc(C(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)sc1C ZINC000176845551 823307651 /nfs/dbraw/zinc/30/76/51/823307651.db2.gz ADJFOHJWNYFDEY-UHFFFAOYSA-N 1 0 386.561 4.166 20 0 GIADRO CCN(C(=O)NCc1cccc(C[NH+](CC)CC)c1)[C@@H]1CCOC(C)(C)C1 ZINC000460179713 823307667 /nfs/dbraw/zinc/30/76/67/823307667.db2.gz ZOBLFFHOKZXMLB-HXUWFJFHSA-N 1 0 375.557 4.018 20 0 GIADRO Cc1cccc(CCC(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000176849535 823309021 /nfs/dbraw/zinc/30/90/21/823309021.db2.gz WCUIEOJKOGGZOR-UHFFFAOYSA-N 1 0 394.559 4.115 20 0 GIADRO Cc1cc(NC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c(C#N)cc1N(C)C ZINC000572261305 823309334 /nfs/dbraw/zinc/30/93/34/823309334.db2.gz SDENGSKBPGLQMT-RTBURBONSA-N 1 0 397.567 4.051 20 0 GIADRO Cc1ccc(-n2cc(C[NH2+][C@@H](C)CC[S@@](C)=O)c(-c3ccc(F)cc3)n2)cc1 ZINC000572264649 823309704 /nfs/dbraw/zinc/30/97/04/823309704.db2.gz ZDLJCXJVDREOIE-YMGMXPECSA-N 1 0 399.535 4.234 20 0 GIADRO CC[N@H+](Cc1ccc(OC)c(OC)c1)Cc1cc(=O)oc2cc(C)c(C)cc12 ZINC000011365939 818075743 /nfs/dbraw/zinc/07/57/43/818075743.db2.gz QFUWREHHVQBKML-UHFFFAOYSA-N 1 0 381.472 4.449 20 0 GIADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000122129442 823310528 /nfs/dbraw/zinc/31/05/28/823310528.db2.gz HKHQWVHCMAZDGY-LEWJYISDSA-N 1 0 397.519 4.196 20 0 GIADRO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1ccc(SC(=O)N(C)C)cc1 ZINC000176854111 823310630 /nfs/dbraw/zinc/31/06/30/823310630.db2.gz PPENBCJDHNWVNX-INIZCTEOSA-N 1 0 395.532 4.234 20 0 GIADRO CC(C)CC[NH+]1CCC(CNC(=O)C(C)(C)Cc2nc3ccccc3[nH]2)CC1 ZINC000409804212 823311736 /nfs/dbraw/zinc/31/17/36/823311736.db2.gz LOVHMFFFDQPQPL-UHFFFAOYSA-N 1 0 384.568 4.006 20 0 GIADRO CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000460192487 823311815 /nfs/dbraw/zinc/31/18/15/823311815.db2.gz WUWUYZSGRBUPOE-FQEVSTJZSA-N 1 0 382.552 4.232 20 0 GIADRO CN(C)C(=O)Sc1cccc(CN2CCC[N@H+](Cc3ccccc3)CC2)c1 ZINC000176860161 823311999 /nfs/dbraw/zinc/31/19/99/823311999.db2.gz SHHZPOYPOMSQEB-UHFFFAOYSA-N 1 0 383.561 4.168 20 0 GIADRO CN(C)C(=O)Sc1ccc(CN2CCC[N@H+](Cc3ccccc3)CC2)cc1 ZINC000176860207 823312075 /nfs/dbraw/zinc/31/20/75/823312075.db2.gz IXGMROKCHUWQIG-UHFFFAOYSA-N 1 0 383.561 4.168 20 0 GIADRO COCc1ccccc1C(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000057587139 823312275 /nfs/dbraw/zinc/31/22/75/823312275.db2.gz OCPQBHAFYTWNFZ-OALUTQOASA-N 1 0 380.532 4.241 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)C3(Cc4ccccc4)CC3)c(C)c2)CC1 ZINC000176861388 823312271 /nfs/dbraw/zinc/31/22/71/823312271.db2.gz GTFOKERAEWCSPV-UHFFFAOYSA-N 1 0 377.532 4.098 20 0 GIADRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1cnc(Cl)c(Cl)c1 ZINC000011752849 818116484 /nfs/dbraw/zinc/11/64/84/818116484.db2.gz VMMBUWUTJZPSEB-YOEHRIQHSA-N 1 0 376.287 4.145 20 0 GIADRO COc1ccc(C[N@H+](CC(=O)Nc2cc(C(C)(C)C)no2)[C@H](C)C2CC2)cc1 ZINC000057601987 823313430 /nfs/dbraw/zinc/31/34/30/823313430.db2.gz GNNLRTWLRAMBHC-OAHLLOKOSA-N 1 0 385.508 4.220 20 0 GIADRO COc1ccc(C[N@H+](CC(=O)Nc2cc(C)ccc2OC)[C@@H](C)C2CC2)cc1 ZINC000057601474 823313695 /nfs/dbraw/zinc/31/36/95/823313695.db2.gz KUVKCNDDPUBNEJ-KRWDZBQOSA-N 1 0 382.504 4.251 20 0 GIADRO OC[C@@]1(C[NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)C[C@H]1c1ccccc1 ZINC000572290856 823314335 /nfs/dbraw/zinc/31/43/35/823314335.db2.gz NMHNURMNASUYMU-LPHOPBHVSA-N 1 0 383.385 4.023 20 0 GIADRO CO[C@H](C)c1nc(C)c(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)s1 ZINC000176878678 823315880 /nfs/dbraw/zinc/31/58/80/823315880.db2.gz AWQGQAKLYGYGFW-YCPHGPKFSA-N 1 0 393.578 4.033 20 0 GIADRO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H](C)c2ccc(F)cc2F)c(OC)c1 ZINC000122171356 823316648 /nfs/dbraw/zinc/31/66/48/823316648.db2.gz PDSDYYAXDVKYNX-QWHCGFSZSA-N 1 0 378.419 4.050 20 0 GIADRO Cc1cccc(C2(C(=O)NC3CC[NH+]([C@@H]4CCCC[C@@H]4O)CC3)CCCCC2)c1 ZINC000122176189 823317247 /nfs/dbraw/zinc/31/72/47/823317247.db2.gz KLKICRCXYRDPGU-PKTZIBPZSA-N 1 0 398.591 4.081 20 0 GIADRO Cc1cc2[nH]c(C(=O)NCc3ccc(OC4CC[NH+](C)CC4)cc3)cc2c(C)c1 ZINC000572308647 823317333 /nfs/dbraw/zinc/31/73/33/823317333.db2.gz IATOKWACAJNBNA-UHFFFAOYSA-N 1 0 391.515 4.188 20 0 GIADRO C[C@H](C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccc(F)c(F)c1 ZINC000460210721 823318418 /nfs/dbraw/zinc/31/84/18/823318418.db2.gz OBGJUUSHAYDQJR-ZUEVXXBESA-N 1 0 378.488 4.329 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc4nc(C)ccc4c3)c(C)c2)CC1 ZINC000122188038 823318804 /nfs/dbraw/zinc/31/88/04/823318804.db2.gz CFMKUMXOKATHER-UHFFFAOYSA-N 1 0 388.515 4.246 20 0 GIADRO Cc1ccccc1C1(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CCCCC1 ZINC000122188414 823318966 /nfs/dbraw/zinc/31/89/66/823318966.db2.gz WIWGYUAQENVGDT-XZOQPEGZSA-N 1 0 398.591 4.081 20 0 GIADRO Cc1nc(CSc2ccc(C(=O)Nc3cc(C[NH+](C)C)ccn3)cc2)cs1 ZINC000176896125 823319574 /nfs/dbraw/zinc/31/95/74/823319574.db2.gz WDHUUOJTRSVBGF-UHFFFAOYSA-N 1 0 398.557 4.453 20 0 GIADRO c1cc(C[NH+]2CCCC2)cc(-c2noc(-c3ccc(O[C@H]4CCOC4)cc3)n2)c1 ZINC000572322392 823319790 /nfs/dbraw/zinc/31/97/90/823319790.db2.gz YUNIKPNWRCAIIX-NRFANRHFSA-N 1 0 391.471 4.167 20 0 GIADRO CSCC[C@H](C)[N@H+](C)CC(=O)Nc1ccc(Br)cc1Cl ZINC000126486258 823881013 /nfs/dbraw/zinc/88/10/13/823881013.db2.gz GZTOIWTWAZPMSG-JTQLQIEISA-N 1 0 379.751 4.114 20 0 GIADRO COc1ccc([C@H](C[NH2+]Cc2ccc(Cl)c(Cl)c2)N2CCOCC2)cc1 ZINC000057681598 823321004 /nfs/dbraw/zinc/32/10/04/823321004.db2.gz VPICLRLYSUBJMK-FQEVSTJZSA-N 1 0 395.330 4.165 20 0 GIADRO CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460218067 823321022 /nfs/dbraw/zinc/32/10/22/823321022.db2.gz BKJMRXNJTBTKQE-WMLDXEAASA-N 1 0 393.457 4.047 20 0 GIADRO O=C(C[NH2+][C@H]1CCc2c1cc(Cl)cc2Cl)N[C@H]1CCOc2ccccc21 ZINC000409837850 823321437 /nfs/dbraw/zinc/32/14/37/823321437.db2.gz TUKUURUTZHXSLT-ROUUACIJSA-N 1 0 391.298 4.210 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)c1ccoc1C1CC1 ZINC000409841688 823322374 /nfs/dbraw/zinc/32/23/74/823322374.db2.gz JLTFQMZGUNLKRC-UHFFFAOYSA-N 1 0 391.309 4.124 20 0 GIADRO CC[C@H](CNC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)Oc1ccccc1C ZINC000176913229 823322791 /nfs/dbraw/zinc/32/27/91/823322791.db2.gz CCAVCBKUMHPTMQ-HXUWFJFHSA-N 1 0 399.535 4.051 20 0 GIADRO CCC1(CNC(=O)c2cnc3cnccc3c2)CC[NH+](Cc2ccccc2)CC1 ZINC000409851170 823326253 /nfs/dbraw/zinc/32/62/53/823326253.db2.gz YTUJCMZESURRSY-UHFFFAOYSA-N 1 0 388.515 4.052 20 0 GIADRO CC[NH+]1CCC(NC(=O)c2cc(-c3ccc(OC)cc3)nc3ccccc32)CC1 ZINC000014523689 818249079 /nfs/dbraw/zinc/24/90/79/818249079.db2.gz OAOWCNBIKAWYNI-UHFFFAOYSA-N 1 0 389.499 4.125 20 0 GIADRO C[C@@H](NC(=O)NC[C@H](c1cccs1)[NH+](C)C)c1ccc(-c2cccnc2)cc1 ZINC000176929477 823326729 /nfs/dbraw/zinc/32/67/29/823326729.db2.gz KIGIKEXHJMMWMJ-OXQOHEQNSA-N 1 0 394.544 4.473 20 0 GIADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)c2ccccc2Br)C1 ZINC000409844336 823323204 /nfs/dbraw/zinc/32/32/04/823323204.db2.gz MDHXEWYEBZHSTD-MRXNPFEDSA-N 1 0 395.385 4.211 20 0 GIADRO CCn1c(-c2ccccc2OC)nnc1N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000460226143 823323225 /nfs/dbraw/zinc/32/32/25/823323225.db2.gz IZCFOHIUCSAFMX-UHFFFAOYSA-N 1 0 397.567 4.066 20 0 GIADRO CCn1c(-c2ccccc2C)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000460230182 823324531 /nfs/dbraw/zinc/32/45/31/823324531.db2.gz PVCFNKSJQPNHRM-UHFFFAOYSA-N 1 0 389.547 4.374 20 0 GIADRO Cc1sc2ncnc(N3CC[NH+](Cc4cccc5cccnc54)CC3)c2c1C ZINC000014855679 818272462 /nfs/dbraw/zinc/27/24/62/818272462.db2.gz XJQOTAOLSJKVBH-UHFFFAOYSA-N 1 0 389.528 4.179 20 0 GIADRO Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]CCCc1nnc2n1CCCCC2 ZINC000122228351 823324740 /nfs/dbraw/zinc/32/47/40/823324740.db2.gz PMXOPFWFRADXJV-GOSISDBHSA-N 1 0 388.943 4.402 20 0 GIADRO Cc1csc(-c2cccc(C(=O)NCc3ccc(C[NH+](C)C)c(F)c3)c2)n1 ZINC000122230906 823325014 /nfs/dbraw/zinc/32/50/14/823325014.db2.gz JXRVDVJLJGSRAF-UHFFFAOYSA-N 1 0 383.492 4.249 20 0 GIADRO CN(C)C(=O)Sc1ccc(C[N@H+](CCCO)[C@@H]2CCc3ccccc32)cc1 ZINC000176926297 823325714 /nfs/dbraw/zinc/32/57/14/823325714.db2.gz ODOPBMHPKUKOJB-OAQYLSRUSA-N 1 0 384.545 4.332 20 0 GIADRO CCN(C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)[C@H]1CCOC(C)(C)C1 ZINC000460233900 823325992 /nfs/dbraw/zinc/32/59/92/823325992.db2.gz DOCQZTXUYRPZNB-HKUYNNGSSA-N 1 0 375.557 4.105 20 0 GIADRO Cc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H]1CCOc2c(Br)cccc21 ZINC000409857974 823327837 /nfs/dbraw/zinc/32/78/37/823327837.db2.gz OFSYUDPYZTUBFL-SUMWQHHRSA-N 1 0 389.293 4.198 20 0 GIADRO Cc1sc([C@@H](C)NC(=O)NC2CC[NH+](C)CC2)nc1-c1ccc(Cl)cc1 ZINC000122253125 823328028 /nfs/dbraw/zinc/32/80/28/823328028.db2.gz JLOAUWBPIJBZPN-GFCCVEGCSA-N 1 0 392.956 4.226 20 0 GIADRO CC(C)Oc1ccc(NC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c(Cl)c1 ZINC000188915620 823328207 /nfs/dbraw/zinc/32/82/07/823328207.db2.gz NLNDUFZLZOWWOC-INIZCTEOSA-N 1 0 379.932 4.467 20 0 GIADRO C[C@@H](NC(=O)N1CCC(c2ccsc2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000188919796 823328445 /nfs/dbraw/zinc/32/84/45/823328445.db2.gz MRQRAJUTTAHZAU-SJLPKXTDSA-N 1 0 375.582 4.290 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)c2cccc3ccc(=O)[nH]c32)CC[N@@H+]1Cc1ccccc1 ZINC000572370112 823328638 /nfs/dbraw/zinc/32/86/38/823328638.db2.gz FJIGUDYXSJQUSC-YLJYHZDGSA-N 1 0 389.499 4.066 20 0 GIADRO COc1ccc(NC(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)cc1F ZINC000057753529 823328685 /nfs/dbraw/zinc/32/86/85/823328685.db2.gz SWXXTMHDYYIOSR-UHFFFAOYSA-N 1 0 385.483 4.388 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)c1cccc(OCc2ccccc2)c1)c1cccc(CO)c1 ZINC000122260790 823328931 /nfs/dbraw/zinc/32/89/31/823328931.db2.gz BPDXUBZRNYIQSQ-HOYKHHGWSA-N 1 0 377.484 4.142 20 0 GIADRO CN(C)C(=O)[C@@H](c1ccccc1)[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000015489297 818329015 /nfs/dbraw/zinc/32/90/15/818329015.db2.gz XUESIWBJGWOYDD-HXUWFJFHSA-N 1 0 379.529 4.305 20 0 GIADRO C[C@@H]([NH2+]C[C@H](O)c1cccc(OCc2ccccc2)c1)c1cccc(CO)c1 ZINC000122260393 823329089 /nfs/dbraw/zinc/32/90/89/823329089.db2.gz BPDXUBZRNYIQSQ-KOSHJBKYSA-N 1 0 377.484 4.142 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1ccc(C2SCCS2)cc1)c1cccs1 ZINC000015536574 818334439 /nfs/dbraw/zinc/33/44/39/818334439.db2.gz XGBUOKGOWYPQEW-OAHLLOKOSA-N 1 0 378.588 4.259 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)COc2cccc3ccccc32)cc1 ZINC000015617288 818348359 /nfs/dbraw/zinc/34/83/59/818348359.db2.gz OISKHNVOUBWNLD-UHFFFAOYSA-N 1 0 376.500 4.377 20 0 GIADRO Cc1nc2cc(C(=O)Nc3cc(C[NH+](C)C)ccn3)ccc2n1-c1ccccc1 ZINC000176943775 823331050 /nfs/dbraw/zinc/33/10/50/823331050.db2.gz IRDBDHPERVZGSB-UHFFFAOYSA-N 1 0 385.471 4.043 20 0 GIADRO CC[NH+](CC)CCN(CC(C)C)C(=O)Nc1nnc(-c2ccsc2)s1 ZINC000057786633 823332528 /nfs/dbraw/zinc/33/25/28/823332528.db2.gz SOSDGIYOMBHVMJ-UHFFFAOYSA-N 1 0 381.571 4.098 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1ccc(Oc2cccnc2)cc1)Cc1ccccc1 ZINC000572402823 823333009 /nfs/dbraw/zinc/33/30/09/823333009.db2.gz IMVQKIFMENSZMO-FQEVSTJZSA-N 1 0 390.487 4.168 20 0 GIADRO CCOc1ccc(NC(=S)NC[C@@H](c2ccccc2OC)[NH+]2CCCC2)cc1 ZINC000016241284 818408823 /nfs/dbraw/zinc/40/88/23/818408823.db2.gz YQZGBMBGTKCPAM-FQEVSTJZSA-N 1 0 399.560 4.217 20 0 GIADRO COc1cccc([C@H](CNC(=S)Nc2cccc(Cl)c2)[NH+]2CCCC2)c1 ZINC000016244987 818410987 /nfs/dbraw/zinc/41/09/87/818410987.db2.gz LDVYBBSBIDIODI-IBGZPJMESA-N 1 0 389.952 4.472 20 0 GIADRO OCCOC1CC[NH+](Cc2ccc(-c3ccccc3Br)cc2)CC1 ZINC000572413390 823335102 /nfs/dbraw/zinc/33/51/02/823335102.db2.gz BWUSFAZCGOBIMV-UHFFFAOYSA-N 1 0 390.321 4.089 20 0 GIADRO O=C(COC(=O)c1ccc(C[NH+]2CCCCC2)cc1)Nc1cccc(Cl)c1 ZINC000016402014 818436275 /nfs/dbraw/zinc/43/62/75/818436275.db2.gz XNHXVYNROOAJKD-UHFFFAOYSA-N 1 0 386.879 4.121 20 0 GIADRO COc1cccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCCC3(CCOCC3)C2)c1 ZINC000572419483 823336444 /nfs/dbraw/zinc/33/64/44/823336444.db2.gz SEQALXRWFJFAFJ-JOCHJYFZSA-N 1 0 394.515 4.268 20 0 GIADRO COc1cccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCCC3(CCOCC3)C2)c1 ZINC000572419484 823336542 /nfs/dbraw/zinc/33/65/42/823336542.db2.gz SEQALXRWFJFAFJ-QFIPXVFZSA-N 1 0 394.515 4.268 20 0 GIADRO CCOC(=O)Nc1ccc2c(C[N@H+](CC)Cc3ccccc3)cc(=O)oc2c1 ZINC000016483123 818448569 /nfs/dbraw/zinc/44/85/69/818448569.db2.gz KSWNQGDBLKIMQV-UHFFFAOYSA-N 1 0 380.444 4.384 20 0 GIADRO C[C@H]1C[C@@H](NC(=O)Nc2ccccc2N2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000176968590 823337773 /nfs/dbraw/zinc/33/77/73/823337773.db2.gz SBNQCCNDCNIGRH-FPOVZHCZSA-N 1 0 392.547 4.461 20 0 GIADRO O=C(Nc1ccccc1)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000016500916 818449840 /nfs/dbraw/zinc/44/98/40/818449840.db2.gz SZXWQRVPYQXWQH-UHFFFAOYSA-N 1 0 377.410 4.445 20 0 GIADRO O=C(CCc1c[nH]c2ccccc12)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000016506689 818451273 /nfs/dbraw/zinc/45/12/73/818451273.db2.gz HRBAYOPPIRFKDK-UHFFFAOYSA-N 1 0 375.516 4.403 20 0 GIADRO CC(C)(C)C[C@@H]1CCC[N@@H+]1Cc1nc(C(C)(C)NC(=O)OC(C)(C)C)no1 ZINC000057862667 823342910 /nfs/dbraw/zinc/34/29/10/823342910.db2.gz JOTVEJMUDCRWHB-AWEZNQCLSA-N 1 0 380.533 4.230 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+]C1CCN(c3ccc(N(C)C)cc3)CC1)CCCO2 ZINC000122326186 823338507 /nfs/dbraw/zinc/33/85/07/823338507.db2.gz FXLQSOXULDFDCP-HSZRJFAPSA-N 1 0 395.547 4.234 20 0 GIADRO C[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[N@H+](Cc2cc(=O)n3ccsc3n2)C1 ZINC000122331580 823339467 /nfs/dbraw/zinc/33/94/67/823339467.db2.gz QYHQDNXLUGAYRS-BLLLJJGKSA-N 1 0 393.434 4.358 20 0 GIADRO C[NH+](C)CCN(Cc1cc(Br)c(Cl)s1)Cc1ccccn1 ZINC000572445040 823340466 /nfs/dbraw/zinc/34/04/66/823340466.db2.gz QFBXZVDGIWILCR-UHFFFAOYSA-N 1 0 388.762 4.123 20 0 GIADRO Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000189003228 823340557 /nfs/dbraw/zinc/34/05/57/823340557.db2.gz WVTPJIWRPUHVRS-ZDUSSCGKSA-N 1 0 395.425 4.131 20 0 GIADRO Cc1ccc(CCCC(=O)N[C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)s1 ZINC000176979316 823341196 /nfs/dbraw/zinc/34/11/96/823341196.db2.gz JEKXDFMIUIDFMO-FQEVSTJZSA-N 1 0 398.572 4.484 20 0 GIADRO Cc1cc2oc(=O)cc(C[N@@H+](C)[C@H](C)c3ccc(-n4cncn4)cc3)c2cc1C ZINC000017306128 818507049 /nfs/dbraw/zinc/50/70/49/818507049.db2.gz SEJFVPBDOMPRHG-QGZVFWFLSA-N 1 0 388.471 4.184 20 0 GIADRO Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+]CCCn2ccnc2)cc1 ZINC000017310205 818507933 /nfs/dbraw/zinc/50/79/33/818507933.db2.gz XGHRMIDIMRPEKZ-UHFFFAOYSA-N 1 0 389.478 4.363 20 0 GIADRO CCn1c(Cc2ccsc2)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000460288948 823341333 /nfs/dbraw/zinc/34/13/33/823341333.db2.gz LOOYFGNPNUAFJU-SFHVURJKSA-N 1 0 395.576 4.051 20 0 GIADRO COc1ccccc1CC[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000017316204 818508663 /nfs/dbraw/zinc/50/86/63/818508663.db2.gz UGZXAZMOZSYANW-UHFFFAOYSA-N 1 0 398.510 4.334 20 0 GIADRO COc1ccc(C(=O)Nc2cccc(C[NH2+]CCc3ccccc3OC)c2)cc1 ZINC000017316198 818508669 /nfs/dbraw/zinc/50/86/69/818508669.db2.gz DHEZQOMGTAXJGY-UHFFFAOYSA-N 1 0 390.483 4.288 20 0 GIADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1cc(F)c(F)cc1F ZINC000176982027 823341782 /nfs/dbraw/zinc/34/17/82/823341782.db2.gz ZNMZGROMGIWDHO-OAHLLOKOSA-N 1 0 392.425 4.017 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=S)Nc1ccc(F)cc1)c1cccc(OC)c1 ZINC000017516590 818517232 /nfs/dbraw/zinc/51/72/32/818517232.db2.gz UWJIWIDWRDMMNT-LJQANCHMSA-N 1 0 375.513 4.204 20 0 GIADRO C[C@@H](CCCOc1ccccc1C(N)=O)[NH2+][C@@H](c1nccs1)c1ccccc1 ZINC000122348724 823341873 /nfs/dbraw/zinc/34/18/73/823341873.db2.gz BTYUPRUBNWLMTK-OXJNMPFZSA-N 1 0 395.528 4.169 20 0 GIADRO Cc1ccc(C(=O)C2CCN(C(=O)NC[C@]3([NH+](C)C)CCC[C@H](C)C3)CC2)cc1 ZINC000057858123 823342460 /nfs/dbraw/zinc/34/24/60/823342460.db2.gz WVILJQSAMZNQJR-CYFREDJKSA-N 1 0 399.579 4.110 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1cc2c(s1)-c1ccccc1OC2)c1cccs1 ZINC000017796013 818528255 /nfs/dbraw/zinc/52/82/55/818528255.db2.gz NZBDVOGPMWOWEA-OAHLLOKOSA-N 1 0 384.526 4.402 20 0 GIADRO CCN(CC)C(=O)c1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(Cl)cc2)cc1 ZINC000057876841 823343884 /nfs/dbraw/zinc/34/38/84/823343884.db2.gz SXUFOHOKSOJNGV-HNNXBMFYSA-N 1 0 387.911 4.111 20 0 GIADRO C[C@H]1C[C@@H](NC(=O)Nc2ccc(-n3cccn3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000176990838 823344167 /nfs/dbraw/zinc/34/41/67/823344167.db2.gz YFDKAHGDXOBURX-RXVVDRJESA-N 1 0 389.503 4.047 20 0 GIADRO Cc1nn(-c2ccc(F)cc2F)c(C)c1CNC1CC[NH+](C2CCCC2)CC1 ZINC000176992474 823344922 /nfs/dbraw/zinc/34/49/22/823344922.db2.gz JFZLMPCJFOERLT-UHFFFAOYSA-N 1 0 388.506 4.264 20 0 GIADRO Clc1ccc(OC[C@H]2CCCO2)c(CNC2CC[NH+](C3CCCC3)CC2)c1 ZINC000176992646 823344986 /nfs/dbraw/zinc/34/49/86/823344986.db2.gz WITXDOFAQVVJEQ-OAQYLSRUSA-N 1 0 392.971 4.394 20 0 GIADRO CC[NH+](CC)CCN(Cc1cccs1)C(=S)Nc1ccccc1OC ZINC000018138894 818549938 /nfs/dbraw/zinc/54/99/38/818549938.db2.gz LZBWACNVXPEVLJ-UHFFFAOYSA-N 1 0 377.579 4.298 20 0 GIADRO CC(C)Oc1ccc(NC(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)cc1Cl ZINC000572493223 823349349 /nfs/dbraw/zinc/34/93/49/823349349.db2.gz WBJIWSHWSGXQSW-SFHVURJKSA-N 1 0 379.932 4.369 20 0 GIADRO CN(CCC(=O)N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F)c1cc[nH+]cc1 ZINC000572466989 823345511 /nfs/dbraw/zinc/34/55/11/823345511.db2.gz DEKOWNHVUGFVOF-INIZCTEOSA-N 1 0 389.780 4.120 20 0 GIADRO COc1ccc([C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2)[NH+]2CCCC2)cc1 ZINC000018184307 818555341 /nfs/dbraw/zinc/55/53/41/818555341.db2.gz LYTQTEBTMZSZJL-LJQANCHMSA-N 1 0 392.421 4.281 20 0 GIADRO C[N@@H+](Cc1ccc(Br)s1)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000057944551 823349414 /nfs/dbraw/zinc/34/94/14/823349414.db2.gz BNMHWXAUIISIAK-GFCCVEGCSA-N 1 0 390.730 4.036 20 0 GIADRO Cc1cc(NC(=O)CC2CC(F)(F)C2)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000572472074 823346241 /nfs/dbraw/zinc/34/62/41/823346241.db2.gz TWVAESWLUMWBQF-GOSISDBHSA-N 1 0 388.462 4.012 20 0 GIADRO Fc1ccc(Cn2cc(C[NH2+]Cc3cccc(OCC(F)(F)F)c3)cn2)cc1 ZINC000189044127 823347410 /nfs/dbraw/zinc/34/74/10/823347410.db2.gz YIMPWLAJVUULIO-UHFFFAOYSA-N 1 0 393.384 4.301 20 0 GIADRO CC(C)c1c(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)cnn1-c1ccccn1 ZINC000572480860 823347416 /nfs/dbraw/zinc/34/74/16/823347416.db2.gz YPUFJJQIGSRRQT-HXUWFJFHSA-N 1 0 389.503 4.192 20 0 GIADRO Cc1nc(-c2ccccc2)ccc1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000057914360 823347864 /nfs/dbraw/zinc/34/78/64/823347864.db2.gz GDOVXWKVUJBRFW-NRFANRHFSA-N 1 0 375.472 4.217 20 0 GIADRO O=C(Nc1ccc(OC2CCCC2)c(Cl)c1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000572510387 823351742 /nfs/dbraw/zinc/35/17/42/823351742.db2.gz BTTFNOBHWXHBKI-MRXNPFEDSA-N 1 0 388.899 4.035 20 0 GIADRO COCCC1(C[NH2+]Cc2cccc(NC(=O)c3ccncc3)c2)CCCCC1 ZINC000189071029 823351899 /nfs/dbraw/zinc/35/18/99/823351899.db2.gz VYSYJUGMOJEGEJ-UHFFFAOYSA-N 1 0 381.520 4.411 20 0 GIADRO O=C(c1cnccc1Oc1ccccc1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000409952515 823352189 /nfs/dbraw/zinc/35/21/89/823352189.db2.gz WZHREJYRIMVMGA-OYRHEFFESA-N 1 0 399.494 4.078 20 0 GIADRO Fc1ccc(Cn2cc(C[NH2+][C@@H](c3ccc4c(c3)OCCO4)C3CC3)cn2)cc1 ZINC000189072247 823352248 /nfs/dbraw/zinc/35/22/48/823352248.db2.gz GKTUSACQWHJGNT-HSZRJFAPSA-N 1 0 393.462 4.083 20 0 GIADRO COc1cc(C[NH2+]C2CCN(CC(F)F)CC2)ccc1OCc1ccccc1 ZINC000057978635 823352719 /nfs/dbraw/zinc/35/27/19/823352719.db2.gz FDMPYUVTCUUQBZ-UHFFFAOYSA-N 1 0 390.474 4.093 20 0 GIADRO CC(C)(C)n1cc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)cn1 ZINC000057979219 823352743 /nfs/dbraw/zinc/35/27/43/823352743.db2.gz VJARVCHMMOWIMD-UHFFFAOYSA-N 1 0 386.503 4.176 20 0 GIADRO OC[C@]1(Cc2ccc(F)cc2)CC[N@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000572520884 823352799 /nfs/dbraw/zinc/35/27/99/823352799.db2.gz RMTCGYYIFDKJRK-IBGZPJMESA-N 1 0 383.385 4.151 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(F)c2ccccc21 ZINC000572519277 823352954 /nfs/dbraw/zinc/35/29/54/823352954.db2.gz BWHIZXAETMXZOT-CQSZACIVSA-N 1 0 380.419 4.039 20 0 GIADRO Cc1nc2cc(-c3nc(C4([NH3+])CCCC4)no3)ccc2n1Cc1ccsc1 ZINC000572521962 823353236 /nfs/dbraw/zinc/35/32/36/823353236.db2.gz XWXKZNQLOUEDIT-UHFFFAOYSA-N 1 0 379.489 4.233 20 0 GIADRO C[NH2+]C[C@H]1CCN(Cc2cn(Cc3ccccc3Cl)nc2-c2ccccc2)C1 ZINC000572523037 823353719 /nfs/dbraw/zinc/35/37/19/823353719.db2.gz SHUPIOXXBHYJKW-GOSISDBHSA-N 1 0 394.950 4.293 20 0 GIADRO O[C@@H](C[C@@H]1CCCCC[N@@H+]1Cc1nc(-c2ccccc2F)no1)c1ccco1 ZINC000189082596 823354651 /nfs/dbraw/zinc/35/46/51/823354651.db2.gz GMQSJIBIXGNGSS-YJBOKZPZSA-N 1 0 385.439 4.337 20 0 GIADRO Cc1oc(-c2cccs2)nc1CC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000021201318 818664068 /nfs/dbraw/zinc/66/40/68/818664068.db2.gz QZHHYIXRUJVILF-UHFFFAOYSA-N 1 0 375.538 4.025 20 0 GIADRO FC(F)(F)c1csc([C@H]2CCC[N@H+](CCCO[C@@H]3CCCCO3)C2)n1 ZINC000572499779 823350174 /nfs/dbraw/zinc/35/01/74/823350174.db2.gz DFKIFNRXYIWMKK-DZGCQCFKSA-N 1 0 378.460 4.275 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)CCn3ccc4ccccc43)C2)s1 ZINC000572502822 823350862 /nfs/dbraw/zinc/35/08/62/823350862.db2.gz HAKZFSFHDLMLLS-LJQANCHMSA-N 1 0 395.572 4.382 20 0 GIADRO CCOc1ccc(NC(=O)C[NH2+]C2(c3ccc(Cl)cc3)CC2)cc1OCC ZINC000572507951 823351433 /nfs/dbraw/zinc/35/14/33/823351433.db2.gz KHRJJIQEWHRBBL-UHFFFAOYSA-N 1 0 388.895 4.355 20 0 GIADRO CCC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(NC(C)=O)cc2C(F)(F)F)C1 ZINC000177039186 823356660 /nfs/dbraw/zinc/35/66/60/823356660.db2.gz SYVNPUGHYJSOLD-CQSZACIVSA-N 1 0 385.430 4.114 20 0 GIADRO CCCC[C@@H]1CCC[C@@H]1[NH2+]Cc1nnc(C(=O)NCc2ccc(F)cc2)s1 ZINC000460351875 823361071 /nfs/dbraw/zinc/36/10/71/823361071.db2.gz ZQRXZQVJBKCNIL-WBVHZDCISA-N 1 0 390.528 4.056 20 0 GIADRO CCS[C@@H]1CC[C@H](N(C)C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000122456961 823357289 /nfs/dbraw/zinc/35/72/89/823357289.db2.gz BCLZKICJYGCEPD-LEWJYISDSA-N 1 0 389.609 4.275 20 0 GIADRO CC[C@@H](CN(CC)C(=O)C1CC[NH+](C2CCN(CC)CC2)CC1)c1ccccc1 ZINC000572540557 823357610 /nfs/dbraw/zinc/35/76/10/823357610.db2.gz GDXNDQSCKMBSEW-NRFANRHFSA-N 1 0 399.623 4.225 20 0 GIADRO COc1ccccc1NC(=O)c1ccc(NC(=O)CC[N@H+](C)[C@H](C)C2CC2)cc1 ZINC000122463544 823358196 /nfs/dbraw/zinc/35/81/96/823358196.db2.gz DYMLWJRWYFWKJU-MRXNPFEDSA-N 1 0 395.503 4.006 20 0 GIADRO C[C@H](c1ccccc1)N1CCC([NH2+][C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000122467250 823358642 /nfs/dbraw/zinc/35/86/42/823358642.db2.gz QCIRORNFRBNCOW-QMMLZNLJSA-N 1 0 387.568 4.247 20 0 GIADRO C[N@H+](CCNC(=O)CCCc1ncc(-c2ccccc2)o1)Cc1ccc(F)cc1 ZINC000177047188 823358730 /nfs/dbraw/zinc/35/87/30/823358730.db2.gz IDGNGIDEKCOOGY-UHFFFAOYSA-N 1 0 395.478 4.052 20 0 GIADRO CS(=O)(=O)Cc1cccc(C[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)c1 ZINC000189107435 823358745 /nfs/dbraw/zinc/35/87/45/823358745.db2.gz GZFGTZGXRGAYFV-UHFFFAOYSA-N 1 0 391.842 4.193 20 0 GIADRO C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000189127694 823361421 /nfs/dbraw/zinc/36/14/21/823361421.db2.gz BPQYFQNRERTXNL-AUSIDOKSSA-N 1 0 392.543 4.172 20 0 GIADRO C[N@H+](Cc1ccccc1NCC(=O)NCc1ccc(F)cc1)C1CCCCC1 ZINC000021892204 818752122 /nfs/dbraw/zinc/75/21/22/818752122.db2.gz NVCMXXOHKIXLNS-UHFFFAOYSA-N 1 0 383.511 4.319 20 0 GIADRO COc1ccccc1CNC(=O)CNc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000021892155 818752182 /nfs/dbraw/zinc/75/21/82/818752182.db2.gz OHMFZUPIXXMOSP-UHFFFAOYSA-N 1 0 395.547 4.188 20 0 GIADRO C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000189127679 823361508 /nfs/dbraw/zinc/36/15/08/823361508.db2.gz BPQYFQNRERTXNL-WMZHIEFXSA-N 1 0 392.543 4.172 20 0 GIADRO CC[C@H](C)c1ccccc1OCC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000022010250 818762926 /nfs/dbraw/zinc/76/29/26/818762926.db2.gz HVWMQMSKKWJLSU-IBGZPJMESA-N 1 0 380.532 4.360 20 0 GIADRO O=C(C1CC[NH+](Cc2cccc(OCC3CCCCC3)c2)CC1)N1CCCC1 ZINC000122492209 823362531 /nfs/dbraw/zinc/36/25/31/823362531.db2.gz DMXOFVYKLHNZRY-UHFFFAOYSA-N 1 0 384.564 4.480 20 0 GIADRO COc1cccc(CNc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)c1OC ZINC000122492216 823362636 /nfs/dbraw/zinc/36/26/36/823362636.db2.gz ZGGZPDAIOWMYAC-UHFFFAOYSA-N 1 0 397.519 4.130 20 0 GIADRO CCCN(CC[NH+]1CCCCCC1)C(=O)NCc1ncoc1-c1ccccc1 ZINC000460356244 823362712 /nfs/dbraw/zinc/36/27/12/823362712.db2.gz BEDZHKFOLASBAQ-UHFFFAOYSA-N 1 0 384.524 4.139 20 0 GIADRO CC(C)(C)n1cc(CNc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)cn1 ZINC000122496069 823363132 /nfs/dbraw/zinc/36/31/32/823363132.db2.gz ACDFKAUOUZULLA-UHFFFAOYSA-N 1 0 383.540 4.065 20 0 GIADRO COc1cc(C[N@H+](C)Cn2cnc3cc(C)c(C)cc32)ccc1OC(F)F ZINC000022312185 818793353 /nfs/dbraw/zinc/79/33/53/818793353.db2.gz OFZYEASQOGNNAJ-UHFFFAOYSA-N 1 0 375.419 4.353 20 0 GIADRO Cc1ccc(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)c(Br)n1 ZINC000122501730 823363925 /nfs/dbraw/zinc/36/39/25/823363925.db2.gz HQVQIHGIMRPRSA-UHFFFAOYSA-N 1 0 388.309 4.043 20 0 GIADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1ccc2ccn(C)c2c1 ZINC000177069925 823364154 /nfs/dbraw/zinc/36/41/54/823364154.db2.gz IMEHZBFODWUJNZ-NRFANRHFSA-N 1 0 391.519 4.092 20 0 GIADRO O=C(/C=C/c1ccc2ccccc2n1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000022402778 818802178 /nfs/dbraw/zinc/80/21/78/818802178.db2.gz YBKNCJJYMXSEKY-JNCYCUAHSA-N 1 0 375.472 4.184 20 0 GIADRO O=C(/C=C/c1ccc2ccccc2n1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000022402779 818802233 /nfs/dbraw/zinc/80/22/33/818802233.db2.gz YBKNCJJYMXSEKY-IWGBCORSSA-N 1 0 375.472 4.184 20 0 GIADRO CC[C@H](NC(=O)NCc1ccc(C[NH+](CC)CC)cc1)c1ccc(OC)cc1 ZINC000022424313 818804776 /nfs/dbraw/zinc/80/47/76/818804776.db2.gz HLMXXBZIXUJXAN-QFIPXVFZSA-N 1 0 383.536 4.488 20 0 GIADRO O=C(CCc1ccc(-c2ccccc2)o1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000022462118 818809649 /nfs/dbraw/zinc/80/96/49/818809649.db2.gz JBXCRXGYHBPSST-UHFFFAOYSA-N 1 0 396.531 4.031 20 0 GIADRO Cc1c(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000022463515 818810536 /nfs/dbraw/zinc/81/05/36/818810536.db2.gz YBCODXQWLSRMGZ-LJQANCHMSA-N 1 0 393.531 4.045 20 0 GIADRO Cc1cccc(C(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)c1Cl ZINC000122516350 823365628 /nfs/dbraw/zinc/36/56/28/823365628.db2.gz KZVTZIVCDHIBQQ-KRWDZBQOSA-N 1 0 386.923 4.278 20 0 GIADRO COc1cc(Br)ccc1[C@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000189151326 823366052 /nfs/dbraw/zinc/36/60/52/823366052.db2.gz VUGPPZLFBKQOKT-ZDUSSCGKSA-N 1 0 391.309 4.010 20 0 GIADRO CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H](C)c1noc(-c2ccccc2)n1 ZINC000460369031 823366273 /nfs/dbraw/zinc/36/62/73/823366273.db2.gz HQMXPKRLBGGQBA-SFHVURJKSA-N 1 0 399.539 4.095 20 0 GIADRO CCc1onc(-c2ccccc2)c1C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000572594347 823366843 /nfs/dbraw/zinc/36/68/43/823366843.db2.gz FVSIIWJGUKRCAW-MOPGFXCFSA-N 1 0 393.462 4.000 20 0 GIADRO CS[C@@H]1CN(Cc2coc(-c3cccc(Cl)c3)n2)C[C@H]1[NH+]1CCCC1 ZINC000460353187 823361852 /nfs/dbraw/zinc/36/18/52/823361852.db2.gz FOAAQAPRNSVDLQ-QZTJIDSGSA-N 1 0 377.941 4.007 20 0 GIADRO O=C(c1cc(Cl)ccc1OC1CCCC1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000572599561 823367739 /nfs/dbraw/zinc/36/77/39/823367739.db2.gz CCEJJLHFCMYPIK-HOTGVXAUSA-N 1 0 376.928 4.123 20 0 GIADRO Cc1sc([C@H](C)NC(=O)N[C@@H](C)C[C@@H](C)[NH3+])nc1-c1ccc(Cl)cc1 ZINC000572599728 823367814 /nfs/dbraw/zinc/36/78/14/823367814.db2.gz LBLNXVJJTWZPES-WOPDTQHZSA-N 1 0 380.945 4.258 20 0 GIADRO CC[NH+](CC)CCOc1ccc(CNC(=O)c2cc(Cl)ccc2F)cc1 ZINC000058192974 823368382 /nfs/dbraw/zinc/36/83/82/823368382.db2.gz AUAJUSGJKGPYFE-UHFFFAOYSA-N 1 0 378.875 4.130 20 0 GIADRO CC(C)(CO)[C@@H]([NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1)C1CC1 ZINC000572609986 823368959 /nfs/dbraw/zinc/36/89/59/823368959.db2.gz DWLMVSNJPSRPMW-FQEVSTJZSA-N 1 0 386.923 4.479 20 0 GIADRO C[C@@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C(F)(F)F)cc1 ZINC000410005976 823369411 /nfs/dbraw/zinc/36/94/11/823369411.db2.gz AMOWVEULHGOPKB-AEFFLSMTSA-N 1 0 390.449 4.447 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)CCCOc1ccccc1C)[NH+]1CCCC1 ZINC000022881564 818870841 /nfs/dbraw/zinc/87/08/41/818870841.db2.gz QRRYPBZPVMHYKV-OAQYLSRUSA-N 1 0 396.531 4.116 20 0 GIADRO CC(C)(Cc1nc2ccccc2[nH]1)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000410023640 823373304 /nfs/dbraw/zinc/37/33/04/823373304.db2.gz ANTXKKBJULNDRO-GOSISDBHSA-N 1 0 382.552 4.045 20 0 GIADRO CCc1cc(N2CCC([NH2+][C@H]3CCCOc4cc5c(cc43)CCC5)CC2)ncn1 ZINC000122550109 823370994 /nfs/dbraw/zinc/37/09/94/823370994.db2.gz DUMUYVCHGHBEQJ-QFIPXVFZSA-N 1 0 392.547 4.000 20 0 GIADRO CCOc1ccc(NC(=S)Nc2ccc(N3CC[NH+](CC)CC3)cc2)cc1 ZINC000023107845 818898614 /nfs/dbraw/zinc/89/86/14/818898614.db2.gz HALXUJWNEHURCE-UHFFFAOYSA-N 1 0 384.549 4.036 20 0 GIADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2ccccc2SC)CC1 ZINC000023138812 818902892 /nfs/dbraw/zinc/90/28/92/818902892.db2.gz OLMQFMRLHKWHSG-UHFFFAOYSA-N 1 0 389.952 4.456 20 0 GIADRO COc1cc(Br)ccc1C[NH2+]Cc1ccc(SC)c(OC)c1 ZINC000189184727 823371806 /nfs/dbraw/zinc/37/18/06/823371806.db2.gz JSPWCITWTREOJY-UHFFFAOYSA-N 1 0 382.323 4.478 20 0 GIADRO O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1cccc(C2CCC2)c1 ZINC000410015061 823371792 /nfs/dbraw/zinc/37/17/92/823371792.db2.gz XXXBLYHNMRINOY-UHFFFAOYSA-N 1 0 380.454 4.489 20 0 GIADRO C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000572641258 823373516 /nfs/dbraw/zinc/37/35/16/823373516.db2.gz ZVHUWGIHCIXPQG-KDOFPFPSSA-N 1 0 382.470 4.121 20 0 GIADRO CC[NH+](CC)CCOc1ccc(CNC(=O)[C@H]2CCCc3ccccc32)cc1 ZINC000058259234 823372309 /nfs/dbraw/zinc/37/23/09/823372309.db2.gz YHONOXFRZKOEIE-QHCPKHFHSA-N 1 0 380.532 4.144 20 0 GIADRO Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]Cc1ccccc1CS(C)(=O)=O ZINC000122560363 823372765 /nfs/dbraw/zinc/37/27/65/823372765.db2.gz LETUQXJFGXKDPF-IBGZPJMESA-N 1 0 393.936 4.197 20 0 GIADRO COc1cc(Br)ccc1C[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000189187605 823372813 /nfs/dbraw/zinc/37/28/13/823372813.db2.gz PWOATFWYNOUUHV-UHFFFAOYSA-N 1 0 390.256 4.277 20 0 GIADRO O=C(NCCC[NH+]1CCCCCC1)c1ccc(-n2cnc3ccccc32)cc1 ZINC000023237002 818916110 /nfs/dbraw/zinc/91/61/10/818916110.db2.gz LHVCQNXIPVOLNN-UHFFFAOYSA-N 1 0 376.504 4.021 20 0 GIADRO CN(C)[C@@H](C[NH2+]Cc1c(-c2ccccc2)nc2sccn12)c1ccccc1 ZINC000023254606 818916670 /nfs/dbraw/zinc/91/66/70/818916670.db2.gz RUDHTIIQJPKTIU-IBGZPJMESA-N 1 0 376.529 4.455 20 0 GIADRO O=C(c1cccnc1Nc1ccccc1F)N1CCC([NH+]2CCCCC2)CC1 ZINC000058268841 823372887 /nfs/dbraw/zinc/37/28/87/823372887.db2.gz KYTVLVAFRIBEHH-UHFFFAOYSA-N 1 0 382.483 4.055 20 0 GIADRO Cn1c2ccc(C(=O)NC[C@@H]3CCC[N@@H+]3C3CCCCC3)cc2nc1C(F)F ZINC000410026221 823373776 /nfs/dbraw/zinc/37/37/76/823373776.db2.gz LZQIADXFWSMVFH-INIZCTEOSA-N 1 0 390.478 4.038 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1 ZINC000058276986 823373921 /nfs/dbraw/zinc/37/39/21/823373921.db2.gz KBOHWDHKHRFHLT-INIZCTEOSA-N 1 0 399.922 4.197 20 0 GIADRO Cc1ccccc1[C@@H]1CN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)CO1 ZINC000460391838 823373952 /nfs/dbraw/zinc/37/39/52/823373952.db2.gz VUROZSYCISPABD-RDPSFJRHSA-N 1 0 392.543 4.196 20 0 GIADRO CC[N@@H+]1CCC[C@H](CNC(=O)c2sc3nc(C(F)(F)F)ccc3c2C)C1 ZINC000058275528 823374119 /nfs/dbraw/zinc/37/41/19/823374119.db2.gz QMRJCJFWQHFKGG-GFCCVEGCSA-N 1 0 385.455 4.085 20 0 GIADRO COc1cc(C)c(CN2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1OC ZINC000572646711 823374553 /nfs/dbraw/zinc/37/45/53/823374553.db2.gz HEMSQILPNVJUFJ-XMMPIXPASA-N 1 0 380.532 4.110 20 0 GIADRO CC(=O)c1cccc(OC[C@@H](O)C[NH2+]C(c2ccccc2)c2ccccc2)c1 ZINC000023387294 818932281 /nfs/dbraw/zinc/93/22/81/818932281.db2.gz PAHZTVRJCKIYKR-QFIPXVFZSA-N 1 0 375.468 4.008 20 0 GIADRO Cc1ccc(CC[C@H](C)NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000460394215 823374775 /nfs/dbraw/zinc/37/47/75/823374775.db2.gz MRANESMLSJLGDB-YUXAGFNASA-N 1 0 395.547 4.073 20 0 GIADRO CC(=O)c1cccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccc(Cl)cc2Cl)c1 ZINC000023409657 818935346 /nfs/dbraw/zinc/93/53/46/818935346.db2.gz CRCKTXKSKUHYMQ-BLLLJJGKSA-N 1 0 382.287 4.287 20 0 GIADRO Cc1ccccc1[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)[C@H](C)CO1 ZINC000460394867 823375053 /nfs/dbraw/zinc/37/50/53/823375053.db2.gz PQPABNLYXJCAJA-SFLYRZDNSA-N 1 0 392.543 4.196 20 0 GIADRO CC[NH+]1CCN(CC(=O)Nc2ccc(Sc3cc(C)ccc3C)cc2)CC1 ZINC000023467876 818944462 /nfs/dbraw/zinc/94/44/62/818944462.db2.gz GHGNJXOECDYOOZ-UHFFFAOYSA-N 1 0 383.561 4.031 20 0 GIADRO Cc1c2ccc3ccccc3c2oc1C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000023508986 818950932 /nfs/dbraw/zinc/95/09/32/818950932.db2.gz OYADAJHVZFRMGG-IYBDPMFKSA-N 1 0 380.488 4.124 20 0 GIADRO CC(C)(C)OC(=O)Nc1ccc(C(=O)NCCC[NH+]2CCCCCC2)cc1 ZINC000023548941 818957709 /nfs/dbraw/zinc/95/77/09/818957709.db2.gz WJJFRRGEXPFPKU-UHFFFAOYSA-N 1 0 375.513 4.030 20 0 GIADRO Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000122581079 823376295 /nfs/dbraw/zinc/37/62/95/823376295.db2.gz OYSWMRXZYVDTIK-HNNXBMFYSA-N 1 0 375.900 4.154 20 0 GIADRO CCc1nnc(-c2ccc(NC(=O)[C@H](CC)[N@H+](C)Cc3ccccc3)cc2)o1 ZINC000572654656 823376464 /nfs/dbraw/zinc/37/64/64/823376464.db2.gz KZBHVNZYZLLPLD-IBGZPJMESA-N 1 0 378.476 4.148 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000023657359 818971203 /nfs/dbraw/zinc/97/12/03/818971203.db2.gz BAGOCZQSGAYQSI-UHFFFAOYSA-N 1 0 377.410 4.018 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)/C=C/c1ccc(Cl)cc1)[NH+]1CCCC1 ZINC000023692001 818974516 /nfs/dbraw/zinc/97/45/16/818974516.db2.gz TVHJAOPLGMOVCY-YPNIWSFNSA-N 1 0 384.907 4.315 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)CSc1ccccc1C)[NH+]1CCCC1 ZINC000023712334 818975828 /nfs/dbraw/zinc/97/58/28/818975828.db2.gz SRNJOMDNJMJPCJ-LJQANCHMSA-N 1 0 384.545 4.049 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)N1C[C@@H](c2ccccc2)O[C@@H](C)C1)c1ccccc1 ZINC000410039581 823377179 /nfs/dbraw/zinc/37/71/79/823377179.db2.gz TYJNVJOXAQFMNT-PMOQBDJRSA-N 1 0 395.547 4.241 20 0 GIADRO Cc1cc(C)n(-c2ccc(C(=O)NC[C@H](c3ccccc3)[NH+]3CCCC3)cc2)n1 ZINC000023738364 818977292 /nfs/dbraw/zinc/97/72/92/818977292.db2.gz RYYKFLLFGNRKBB-HSZRJFAPSA-N 1 0 388.515 4.056 20 0 GIADRO Cc1ccc(C(=O)c2ccccc2C(=O)NCCCC[NH+]2CCC(C)CC2)cc1 ZINC000058309671 823377220 /nfs/dbraw/zinc/37/72/20/823377220.db2.gz GWHOASNQAUOYKR-UHFFFAOYSA-N 1 0 392.543 4.468 20 0 GIADRO C[C@H](NC(=O)NC1CCC(C[NH+](C)C)CC1)c1ccc(OCC2CC2)c(F)c1 ZINC000122586858 823377355 /nfs/dbraw/zinc/37/73/55/823377355.db2.gz NTVKSAZGQLHTMI-LYGPFTKASA-N 1 0 391.531 4.095 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)c1cc2c(s1)CCCC2)[NH+]1CCCC1 ZINC000023794907 818985150 /nfs/dbraw/zinc/98/51/50/818985150.db2.gz IOYLOENEFXOICJ-SFHVURJKSA-N 1 0 384.545 4.202 20 0 GIADRO O=c1cc(C[NH+]2CCC(c3nc4ccccc4s3)CC2)c2ccc(O)cc2o1 ZINC000023828602 818985841 /nfs/dbraw/zinc/98/58/41/818985841.db2.gz DSUASRDIUZBKQX-UHFFFAOYSA-N 1 0 392.480 4.488 20 0 GIADRO Cc1cccc2nc(C3CCN(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC3)oc21 ZINC000189228392 823378836 /nfs/dbraw/zinc/37/88/36/823378836.db2.gz MSPFCBKOHYWMKV-INIZCTEOSA-N 1 0 386.540 4.002 20 0 GIADRO CCC[N@H+](CC(=O)Nc1ccc(C(=O)N(CC)CC)cc1)Cc1ccccc1 ZINC000023992236 819003559 /nfs/dbraw/zinc/00/35/59/819003559.db2.gz HGTIJFBJCVBGNE-UHFFFAOYSA-N 1 0 381.520 4.019 20 0 GIADRO CCc1nn(-c2ccccc2)c(CC)c1C[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000572690063 823383799 /nfs/dbraw/zinc/38/37/99/823383799.db2.gz FYPCDBJNVBDWNO-UHFFFAOYSA-N 1 0 389.547 4.282 20 0 GIADRO O=C(c1ccc(CSc2ccccc2)cc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000024086337 819021773 /nfs/dbraw/zinc/02/17/73/819021773.db2.gz RLBCJEILWMWDQS-UHFFFAOYSA-N 1 0 389.524 4.336 20 0 GIADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C2(Cc3ccccc3F)CC2)c1 ZINC000572675247 823380418 /nfs/dbraw/zinc/38/04/18/823380418.db2.gz GZJFALNQVJPWTK-UHFFFAOYSA-N 1 0 397.494 4.067 20 0 GIADRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)CSCc2ccncc2)C1 ZINC000058352838 823381646 /nfs/dbraw/zinc/38/16/46/823381646.db2.gz XNVXESQYLJJLLR-OALUTQOASA-N 1 0 397.588 4.109 20 0 GIADRO C[C@H]1C[C@@H](NC(=O)c2cc(NC(=O)CC(C)(C)C)ccc2Cl)C[N@@H+]1C1CC1 ZINC000177151346 823384094 /nfs/dbraw/zinc/38/40/94/823384094.db2.gz VUPZUAOBKITSDX-DZGCQCFKSA-N 1 0 391.943 4.070 20 0 GIADRO COc1ccc2c(c1)C1(CC1)C[N@@H+](C[C@H](O)COc1ccccc1C(C)C)C2 ZINC000572685005 823382696 /nfs/dbraw/zinc/38/26/96/823382696.db2.gz AWGJOFCQQUJNNJ-IBGZPJMESA-N 1 0 381.516 4.106 20 0 GIADRO C[NH+](C)Cc1ccc(-c2ccccc2CNS(=O)(=O)Cc2ccccc2)cc1 ZINC000024445499 819057564 /nfs/dbraw/zinc/05/75/64/819057564.db2.gz BKXDNMCFCHMOPQ-UHFFFAOYSA-N 1 0 394.540 4.035 20 0 GIADRO CCCOc1ccc(NC(=O)C(=O)Nc2cccc(C[NH+](CC)CC)c2)c(C)c1 ZINC000189282159 823386108 /nfs/dbraw/zinc/38/61/08/823386108.db2.gz GTLYVJJTBFECBW-UHFFFAOYSA-N 1 0 397.519 4.203 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2c3c(nc4ccccc42)CCC3)CC1 ZINC000058400027 823386111 /nfs/dbraw/zinc/38/61/11/823386111.db2.gz KGNOKEIMFMHCHH-UHFFFAOYSA-N 1 0 399.538 4.426 20 0 GIADRO COc1cccc([C@H](CNC(=O)c2ccc(SC(F)(F)F)cc2)[NH+](C)C)c1 ZINC000058399497 823386119 /nfs/dbraw/zinc/38/61/19/823386119.db2.gz KQZQNDUFFANQID-KRWDZBQOSA-N 1 0 398.450 4.340 20 0 GIADRO O=C(NCC1CCC(F)(F)CC1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000410083520 823386374 /nfs/dbraw/zinc/38/63/74/823386374.db2.gz AVQWGINWQQBMHR-UHFFFAOYSA-N 1 0 399.913 4.429 20 0 GIADRO Cc1ccc2cc(C[NH2+]Cc3cc4c(c(Br)c3)OCO4)ccc2n1 ZINC000189283148 823386429 /nfs/dbraw/zinc/38/64/29/823386429.db2.gz WLBHMRGLRFVYJE-UHFFFAOYSA-N 1 0 385.261 4.324 20 0 GIADRO CC(C)(Cc1ccc(Br)cc1)[NH2+]Cc1ccc(-n2ccnc2)nc1 ZINC000177158723 823386634 /nfs/dbraw/zinc/38/66/34/823386634.db2.gz NDDHKVUQEWEHPM-UHFFFAOYSA-N 1 0 385.309 4.141 20 0 GIADRO CN(C)c1ccc(NC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000058411953 823387338 /nfs/dbraw/zinc/38/73/38/823387338.db2.gz ZJLLLKNVLUQLGN-UHFFFAOYSA-N 1 0 380.536 4.450 20 0 GIADRO COc1cc(C[N@H+](Cc2ccc(OC(C)=O)cc2)C2CC2)ccc1OC(F)F ZINC000122649331 823387904 /nfs/dbraw/zinc/38/79/04/823387904.db2.gz BKBVSROCTYBVAZ-UHFFFAOYSA-N 1 0 391.414 4.387 20 0 GIADRO O=C(CC[C@@H]1CCOC1)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000177165229 823388422 /nfs/dbraw/zinc/38/84/22/823388422.db2.gz IUQVXCOALIJNQO-OAQYLSRUSA-N 1 0 392.543 4.382 20 0 GIADRO FC(F)(F)c1ccn(-c2ccc(C[N@@H+]3CCC[C@H]3[C@H]3CCCOC3)cc2)n1 ZINC000572721908 823388846 /nfs/dbraw/zinc/38/88/46/823388846.db2.gz JKLYYZLGTMNRAM-WMZOPIPTSA-N 1 0 379.426 4.282 20 0 GIADRO O[C@H](C[NH2+]CCc1csc(-c2ccc(Cl)cc2)n1)COc1ccccc1 ZINC000572751496 823392772 /nfs/dbraw/zinc/39/27/72/823392772.db2.gz JOEVIJJFFGCMQG-GOSISDBHSA-N 1 0 388.920 4.036 20 0 GIADRO C[NH+](C)CCN(Cc1ccccc1)C(=O)Nc1ccc2nc(C3CC3)oc2c1 ZINC000177182092 823392996 /nfs/dbraw/zinc/39/29/96/823392996.db2.gz HWTGOIJTKILORS-UHFFFAOYSA-N 1 0 378.476 4.301 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CCOc2cc(F)cc(Br)c2)c1 ZINC000189320424 823393266 /nfs/dbraw/zinc/39/32/66/823393266.db2.gz QVZKVEDQUKSEEE-GFCCVEGCSA-N 1 0 395.272 4.276 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1ccc2nc(C3CC3)oc2c1)c1cccc(F)c1 ZINC000177182392 823393514 /nfs/dbraw/zinc/39/35/14/823393514.db2.gz NMNLXCKHIQHPFH-GOSISDBHSA-N 1 0 382.439 4.269 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1)C(=O)NCc1ccc(F)cc1 ZINC000122680833 823393516 /nfs/dbraw/zinc/39/35/16/823393516.db2.gz YQYUDUULEGFADA-KBPBESRZSA-N 1 0 398.400 4.122 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)Nc1ccc2nc(C3CC3)oc2c1 ZINC000177168078 823389572 /nfs/dbraw/zinc/38/95/72/823389572.db2.gz KLDYHNMMTSAJCR-QGZVFWFLSA-N 1 0 380.448 4.257 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc2nc(C3CC3)oc2c1)c1cccc(F)c1 ZINC000177182380 823393542 /nfs/dbraw/zinc/39/35/42/823393542.db2.gz NMNLXCKHIQHPFH-SFHVURJKSA-N 1 0 382.439 4.269 20 0 GIADRO COc1ccc2[nH]c(C(=O)NC3CC[NH+]([C@H](C)c4ccccc4)CC3)cc2c1 ZINC000189298724 823389695 /nfs/dbraw/zinc/38/96/95/823389695.db2.gz BCSVJQNASCXYLI-MRXNPFEDSA-N 1 0 377.488 4.132 20 0 GIADRO C[C@H]([NH2+]CC1=Cc2ccccc2OC1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000122680332 823393576 /nfs/dbraw/zinc/39/35/76/823393576.db2.gz OKZKWGZEBPMFPV-MHECFPHRSA-N 1 0 379.500 4.377 20 0 GIADRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)N[C@@H](C)c2ccc3ncsc3c2)cc1 ZINC000572739078 823390953 /nfs/dbraw/zinc/39/09/53/823390953.db2.gz PSQSMAFAGZJVFE-KBXCAEBGSA-N 1 0 382.533 4.480 20 0 GIADRO CCOc1ccc(NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)c(C(F)(F)F)c1 ZINC000058434237 823390997 /nfs/dbraw/zinc/39/09/97/823390997.db2.gz CKFYIOXJJYLBFH-UHFFFAOYSA-N 1 0 387.446 4.442 20 0 GIADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)c2cccc(OC)c2)cc1 ZINC000177186859 823394534 /nfs/dbraw/zinc/39/45/34/823394534.db2.gz VEZJFLMYRLRGDX-DLBZAZTESA-N 1 0 390.549 4.138 20 0 GIADRO Cc1ccc2nc(-c3cccnc3)cc(C(=O)N(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)c2c1 ZINC000122686363 823394684 /nfs/dbraw/zinc/39/46/84/823394684.db2.gz OCVLOLFQOXWISL-IEBWSBKVSA-N 1 0 388.515 4.160 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1F)c1ccc2c(c1)OCC(=O)N2 ZINC000572768367 823395181 /nfs/dbraw/zinc/39/51/81/823395181.db2.gz HFEBKKGEKALBHN-MNOVXSKESA-N 1 0 393.256 4.331 20 0 GIADRO COc1ccc([C@@H]([NH2+]CCc2nnc(C)s2)C(C)C)c(Br)c1 ZINC000572768652 823395655 /nfs/dbraw/zinc/39/56/55/823395655.db2.gz OVVRJLBIXHXMJB-INIZCTEOSA-N 1 0 384.343 4.147 20 0 GIADRO CC[C@H](Cn1cncn1)[NH2+]CC(C)(C)c1ccc(Br)cc1Cl ZINC000572786297 823398655 /nfs/dbraw/zinc/39/86/55/823398655.db2.gz VBPGJHKXJGQLNA-CYBMUJFWSA-N 1 0 385.737 4.040 20 0 GIADRO CSC1(CNC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2Cl)CC[NH+](C)CC1 ZINC000572772050 823396177 /nfs/dbraw/zinc/39/61/77/823396177.db2.gz HTVICTLKASHFMZ-KGLIPLIRSA-N 1 0 387.376 4.041 20 0 GIADRO Cc1ccccc1[C@H]1C[C@H](NC(=O)c2ccc(C[NH+]3CCSCC3)cc2)C1 ZINC000410134787 823398847 /nfs/dbraw/zinc/39/88/47/823398847.db2.gz KESYOQANQXXUNV-MEMLXQNLSA-N 1 0 380.557 4.220 20 0 GIADRO CC[N@@H+]1CCCN(c2nnc(-c3sccc3C)n2CCc2ccccc2)CC1 ZINC000460461297 823397602 /nfs/dbraw/zinc/39/76/02/823397602.db2.gz SNYSXELVPJMCLU-UHFFFAOYSA-N 1 0 395.576 4.090 20 0 GIADRO O=C(O[C@@H]1CCc2cccnc21)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000189343149 823397905 /nfs/dbraw/zinc/39/79/05/823397905.db2.gz LLXYPLBGGDWKEG-XLIONFOSSA-N 1 0 390.405 4.067 20 0 GIADRO COc1cc(CN(C)C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)ccc1SC ZINC000058483337 823398154 /nfs/dbraw/zinc/39/81/54/823398154.db2.gz UTPDOHJEQOZOLQ-GOSISDBHSA-N 1 0 393.597 4.069 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(F)c(F)c2F)CC[N@@H+]1Cc1ccccc1 ZINC000177223669 823403476 /nfs/dbraw/zinc/40/34/76/823403476.db2.gz SFYDKEXZHGWIJG-ZBFHGGJFSA-N 1 0 376.422 4.229 20 0 GIADRO CC(=O)c1cccc(NC(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)c1 ZINC000058522264 823403546 /nfs/dbraw/zinc/40/35/46/823403546.db2.gz BGAVPBSLOISXAJ-UHFFFAOYSA-N 1 0 379.504 4.443 20 0 GIADRO COc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1OC1CCCC1 ZINC000410137132 823399565 /nfs/dbraw/zinc/39/95/65/823399565.db2.gz YIEYYRUTCJRQIB-FQEVSTJZSA-N 1 0 394.515 4.021 20 0 GIADRO C[C@H](NC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccc(C(F)(F)F)cc1 ZINC000410137752 823399771 /nfs/dbraw/zinc/39/97/71/823399771.db2.gz XTTYRIKGIXGIQD-KBXCAEBGSA-N 1 0 379.426 4.369 20 0 GIADRO C[NH+](C)CCc1ccc(NC(=O)c2nc3ccccc3cc2Br)cc1 ZINC000572796615 823400178 /nfs/dbraw/zinc/40/01/78/823400178.db2.gz QNWPBBAVXSQKQN-UHFFFAOYSA-N 1 0 398.304 4.354 20 0 GIADRO C[C@@H](Cc1ccncc1)[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000572796656 823400192 /nfs/dbraw/zinc/40/01/92/823400192.db2.gz SZTZOQNGUKVBCY-NSHDSACASA-N 1 0 384.115 4.327 20 0 GIADRO CCN(CCC[NH+](C)C)C(=O)N[C@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000189359127 823400413 /nfs/dbraw/zinc/40/04/13/823400413.db2.gz CRNIALGYZRORHN-OAHLLOKOSA-N 1 0 392.544 4.302 20 0 GIADRO CC(C)(C)c1ccc(/C=C/C(=O)NC2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000058497201 823400400 /nfs/dbraw/zinc/40/04/00/823400400.db2.gz RACBPELJQHVTDK-RMKNXTFCSA-N 1 0 377.532 4.173 20 0 GIADRO O=C(NCc1ccc(F)cc1C(F)(F)F)N1CCC([NH+]2CCCCC2)CC1 ZINC000410144012 823400979 /nfs/dbraw/zinc/40/09/79/823400979.db2.gz URPLVCGYELBOJQ-UHFFFAOYSA-N 1 0 387.421 4.004 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc2cc(OC)ccc2[nH]1 ZINC000189362263 823401098 /nfs/dbraw/zinc/40/10/98/823401098.db2.gz DOVHSRSWUAAQJS-IBGZPJMESA-N 1 0 391.515 4.161 20 0 GIADRO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[NH2+][C@H](Cc1ccccc1)c1ccccc1F ZINC000122740981 823403773 /nfs/dbraw/zinc/40/37/73/823403773.db2.gz JZPIOJFZVYUSTJ-HRAATJIYSA-N 1 0 394.494 4.077 20 0 GIADRO C[C@@H](C[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1)c1nc(-c2ccccc2)no1 ZINC000189368059 823402147 /nfs/dbraw/zinc/40/21/47/823402147.db2.gz RQUMWDCVHYHXTL-INIZCTEOSA-N 1 0 391.450 4.014 20 0 GIADRO COc1ccc(C[C@](C)(O)C[NH2+][C@H](C)c2cc3c(s2)CCCC3)cc1OC ZINC000572805037 823402255 /nfs/dbraw/zinc/40/22/55/823402255.db2.gz DFIFTMPTMWULEZ-QRQCRPRQSA-N 1 0 389.561 4.288 20 0 GIADRO COc1cc(NC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)cc(OC)c1 ZINC000058522439 823403473 /nfs/dbraw/zinc/40/34/73/823403473.db2.gz AEONHGMCXAFBMP-QGZVFWFLSA-N 1 0 397.519 4.400 20 0 GIADRO CCC[N@H+](CC)Cc1ccc(C(=O)N2C[C@@H](C)Oc3ccc(OC)cc32)cc1 ZINC000460484657 823404467 /nfs/dbraw/zinc/40/44/67/823404467.db2.gz AQBKIFKBJJSFMJ-QGZVFWFLSA-N 1 0 382.504 4.355 20 0 GIADRO CN(C)C(=O)COc1cccc(C[NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)c1 ZINC000177228520 823404768 /nfs/dbraw/zinc/40/47/68/823404768.db2.gz JLTZAVOWCRQMMW-DEOSSOPVSA-N 1 0 392.474 4.172 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000058532030 823404983 /nfs/dbraw/zinc/40/49/83/823404983.db2.gz LLMJFKDQPSYLLK-MSOLQXFVSA-N 1 0 386.433 4.275 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177230339 823405481 /nfs/dbraw/zinc/40/54/81/823405481.db2.gz VGKAPNWYELPQSP-UHFFFAOYSA-N 1 0 380.536 4.016 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000058537344 823405866 /nfs/dbraw/zinc/40/58/66/823405866.db2.gz YILAUVNTGXEPIV-KRWDZBQOSA-N 1 0 398.507 4.308 20 0 GIADRO COCc1cccc(NC(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)c1 ZINC000058546816 823407420 /nfs/dbraw/zinc/40/74/20/823407420.db2.gz OABSHLTYLOMRBI-UHFFFAOYSA-N 1 0 381.520 4.387 20 0 GIADRO CC(C)C[C@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1cccs1 ZINC000177240137 823407660 /nfs/dbraw/zinc/40/76/60/823407660.db2.gz GIPXOSTUCBEFJQ-QAPCUYQASA-N 1 0 380.579 4.436 20 0 GIADRO O=C(CCCOc1ccc(F)cc1F)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177242677 823408297 /nfs/dbraw/zinc/40/82/97/823408297.db2.gz BCMPKYLXIVUORS-UHFFFAOYSA-N 1 0 380.479 4.037 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)N(C)c3cc(C)ccc3C)c(C)c2)CC1 ZINC000572865696 823411252 /nfs/dbraw/zinc/41/12/52/823411252.db2.gz SXERPBTWKXKWON-UHFFFAOYSA-N 1 0 380.536 4.422 20 0 GIADRO C/C=C/c1ccc(OCC(=O)NC2CC[NH+](C3CCCCC3)CC2)c(OC)c1 ZINC000177256404 823411451 /nfs/dbraw/zinc/41/14/51/823411451.db2.gz YVTKLEXRGMPPBT-XVNBXDOJSA-N 1 0 386.536 4.020 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@@H](C)c2cccc(-n3ccnn3)c2)ccc1OC(C)C ZINC000572868177 823411895 /nfs/dbraw/zinc/41/18/95/823411895.db2.gz UYJPJGQDJKMGEX-IRXDYDNUSA-N 1 0 380.492 4.475 20 0 GIADRO CC(C)Oc1ccccc1CC(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000122788274 823412422 /nfs/dbraw/zinc/41/24/22/823412422.db2.gz YZGUEGQMHGTVEC-UHFFFAOYSA-N 1 0 395.547 4.185 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C[C@@H](C)c2ccc(Br)cc2)C1 ZINC000122792611 823413096 /nfs/dbraw/zinc/41/30/96/823413096.db2.gz DZTQMDLGIOAPNP-CVEARBPZSA-N 1 0 381.358 4.133 20 0 GIADRO CC[NH+](CC)C[C@H]1CCN(C(=O)C[C@H](C)c2ccc(Br)cc2)C1 ZINC000122769117 823409051 /nfs/dbraw/zinc/40/90/51/823409051.db2.gz VKJJWXJKBUQFRD-JKSUJKDBSA-N 1 0 381.358 4.133 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000122769431 823409399 /nfs/dbraw/zinc/40/93/99/823409399.db2.gz ALDYWKKIWTYFER-NTKDMRAZSA-N 1 0 391.515 4.287 20 0 GIADRO Cc1ccc(-c2ccnn2C)cc1NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000410185249 823413651 /nfs/dbraw/zinc/41/36/51/823413651.db2.gz NROIWXFULLEQGB-UHFFFAOYSA-N 1 0 383.455 4.208 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCc2cc3ccccc3[nH]2)C1 ZINC000058560153 823409468 /nfs/dbraw/zinc/40/94/68/823409468.db2.gz DATADSFDDPXERR-GOSISDBHSA-N 1 0 390.531 4.399 20 0 GIADRO Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]Cc1cc(=O)n2cccc(C)c2n1 ZINC000122775328 823410256 /nfs/dbraw/zinc/41/02/56/823410256.db2.gz FFGOBSRHOUAVTE-FQEVSTJZSA-N 1 0 389.524 4.446 20 0 GIADRO CCN(C(=O)Nc1ccccc1CCOC)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000189432956 823414689 /nfs/dbraw/zinc/41/46/89/823414689.db2.gz PRMXXSOLZNSIIR-NRFANRHFSA-N 1 0 381.520 4.004 20 0 GIADRO CCN(Cc1ccccn1)C(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000177267075 823415015 /nfs/dbraw/zinc/41/50/15/823415015.db2.gz ARJKPOXMAYSVTK-WOJBJXKFSA-N 1 0 394.563 4.291 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)N(CCC(F)(F)F)CC2CC2)CC1 ZINC000177270406 823416098 /nfs/dbraw/zinc/41/60/98/823416098.db2.gz HFOVBRPUHUDQMS-UHFFFAOYSA-N 1 0 397.485 4.333 20 0 GIADRO Cc1oc(-c2ccsc2)nc1CC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177271309 823416450 /nfs/dbraw/zinc/41/64/50/823416450.db2.gz QQYOITIUHBMVCV-UHFFFAOYSA-N 1 0 387.549 4.167 20 0 GIADRO CCCCn1ncc(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c1C ZINC000572897969 823416518 /nfs/dbraw/zinc/41/65/18/823416518.db2.gz DSWYJYWBSGCJNX-OAQYLSRUSA-N 1 0 382.552 4.024 20 0 GIADRO COc1ccc2ccccc2c1CNC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000410196458 823416589 /nfs/dbraw/zinc/41/65/89/823416589.db2.gz RVOBLVTXOAURCP-UHFFFAOYSA-N 1 0 381.520 4.008 20 0 GIADRO CCN(Cc1ccccn1)C(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000177272462 823416643 /nfs/dbraw/zinc/41/66/43/823416643.db2.gz CJKYNSLYROSAPL-PMACEKPBSA-N 1 0 394.563 4.291 20 0 GIADRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)Nc2cccc(OCCF)c2)CC1 ZINC000122814444 823416997 /nfs/dbraw/zinc/41/69/97/823416997.db2.gz TYFMVZSTHWKECU-UHFFFAOYSA-N 1 0 399.510 4.411 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CCC(OCC2CCCC2)CC1 ZINC000177272848 823417032 /nfs/dbraw/zinc/41/70/32/823417032.db2.gz IJBBGTTYHNMFLB-UHFFFAOYSA-N 1 0 399.579 4.032 20 0 GIADRO COc1cccc(NC(=O)[C@@H]([NH2+]CCOc2ccc(C)cc2)c2ccccc2)c1 ZINC000058616106 823417203 /nfs/dbraw/zinc/41/72/03/823417203.db2.gz VIPYKWRCTNUCMS-QHCPKHFHSA-N 1 0 390.483 4.352 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)N[C@@H](Cc2ccccc2C(F)(F)F)C(C)(C)C)CC[N@@H+]1C ZINC000460525223 823419336 /nfs/dbraw/zinc/41/93/36/823419336.db2.gz IHJGHUJERQFULB-KYJSFNMBSA-N 1 0 399.501 4.445 20 0 GIADRO CSC[C@@H]([NH2+]C[C@@]1(N(C)C)CCSC1)c1ccc(C(F)(F)F)cc1 ZINC000572912147 823418476 /nfs/dbraw/zinc/41/84/76/823418476.db2.gz MRZMEPZKCRTCEX-CVEARBPZSA-N 1 0 378.529 4.136 20 0 GIADRO Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC000572910754 823418499 /nfs/dbraw/zinc/41/84/99/823418499.db2.gz UDMRZNYNVUNTTR-YADHBBJMSA-N 1 0 377.532 4.449 20 0 GIADRO CCOc1ccccc1[C@H](CC)[NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177276972 823418576 /nfs/dbraw/zinc/41/85/76/823418576.db2.gz PFIJBDISFMDVTJ-UZLBHIALSA-N 1 0 390.549 4.138 20 0 GIADRO CCN(CCC[NH+]1CCCC1)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000189449724 823419444 /nfs/dbraw/zinc/41/94/44/823419444.db2.gz KPXQUKUEBKDALT-UHFFFAOYSA-N 1 0 375.847 4.281 20 0 GIADRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)Nc3ccc4c(c3)C(=O)CCC4)C2)CC1 ZINC000177285275 823421453 /nfs/dbraw/zinc/42/14/53/823421453.db2.gz LXSNTUOGZWZDDJ-SFHVURJKSA-N 1 0 383.536 4.181 20 0 GIADRO Cc1nc(CC[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)sc1C ZINC000122845283 823422351 /nfs/dbraw/zinc/42/23/51/823422351.db2.gz UZLOXZJMPMVQDG-UHFFFAOYSA-N 1 0 391.338 4.245 20 0 GIADRO FC(F)(F)CN1CCC(C[NH2+]Cc2cnc(-c3cccs3)s2)CC1 ZINC000189466513 823423250 /nfs/dbraw/zinc/42/32/50/823423250.db2.gz VMLAELDKSRQOSH-UHFFFAOYSA-N 1 0 375.485 4.236 20 0 GIADRO Cc1cc(CNC(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)ccc1-c1ccccc1 ZINC000189469339 823424020 /nfs/dbraw/zinc/42/40/20/823424020.db2.gz LXDKFHHZKNDHFO-QHCPKHFHSA-N 1 0 380.532 4.071 20 0 GIADRO CC1(C)[C@@H]([NH2+]C2CCN(CC(=O)Nc3ccccc3)CC2)C[C@H]1c1ccccc1 ZINC000122858367 823424398 /nfs/dbraw/zinc/42/43/98/823424398.db2.gz RBRTYFAODFNVQH-GOTSBHOMSA-N 1 0 391.559 4.261 20 0 GIADRO COc1ccc(CC(C)(C)[NH2+]Cc2ccc(OCc3noc(C)n3)cc2)cc1 ZINC000189452417 823420033 /nfs/dbraw/zinc/42/00/33/823420033.db2.gz YBRXHMBMXPXVLJ-UHFFFAOYSA-N 1 0 381.476 4.077 20 0 GIADRO CCN(Cc1ccccn1)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000177282609 823420358 /nfs/dbraw/zinc/42/03/58/823420358.db2.gz BXGVWJKAARWSDR-UHFFFAOYSA-N 1 0 380.536 4.189 20 0 GIADRO COc1ccc2ccccc2c1CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000410208783 823420559 /nfs/dbraw/zinc/42/05/59/823420559.db2.gz ZRGJQJJNEXZJDK-HXUWFJFHSA-N 1 0 393.487 4.078 20 0 GIADRO C[C@@H]([NH2+]CCCc1nnc2n1CCCCC2)c1ccc(Br)cc1 ZINC000177284191 823421017 /nfs/dbraw/zinc/42/10/17/823421017.db2.gz QMLZDNHMEPTTCD-CQSZACIVSA-N 1 0 377.330 4.050 20 0 GIADRO CC1CC[NH+](C[C@H]2CCCN(C(=O)Nc3ccc4c(c3)C(=O)CCC4)C2)CC1 ZINC000177285292 823421313 /nfs/dbraw/zinc/42/13/13/823421313.db2.gz LXSNTUOGZWZDDJ-GOSISDBHSA-N 1 0 383.536 4.181 20 0 GIADRO Cc1cccc(C)c1NC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC000189476582 823425368 /nfs/dbraw/zinc/42/53/68/823425368.db2.gz SSEQKTQWDYEDBE-KZNAEPCWSA-N 1 0 389.540 4.056 20 0 GIADRO O=C(Nc1ccccc1O)C1CC[NH+](CCn2ccc3cc(Cl)ccc32)CC1 ZINC000572948696 823425539 /nfs/dbraw/zinc/42/55/39/823425539.db2.gz NJNMIVCGMROPEK-UHFFFAOYSA-N 1 0 397.906 4.351 20 0 GIADRO Cn1cc(C[NH2+]CC2=CCN(C(=O)OC(C)(C)C)CC2)c(C2CCCCC2)n1 ZINC000189491102 823429394 /nfs/dbraw/zinc/42/93/94/823429394.db2.gz OYDOXOFCHNKEEY-UHFFFAOYSA-N 1 0 388.556 4.125 20 0 GIADRO Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+][C@@H]1CCN(C(C)(C)C)C1=O ZINC000572959961 823426889 /nfs/dbraw/zinc/42/68/89/823426889.db2.gz LCLRZXNHYMVYDB-BLLLJJGKSA-N 1 0 375.513 4.308 20 0 GIADRO CC(C)Oc1ccc(CNC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000410231497 823427589 /nfs/dbraw/zinc/42/75/89/823427589.db2.gz ZZKVXXHNQZYLSP-JOCHJYFZSA-N 1 0 381.520 4.110 20 0 GIADRO COCCc1ccccc1NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000189486957 823428063 /nfs/dbraw/zinc/42/80/63/823428063.db2.gz FVYSXZUEEQSYEH-KNQAVFIVSA-N 1 0 395.547 4.392 20 0 GIADRO CC[C@@H](C)Oc1ccc(NC(=O)C(=O)Nc2ccc(C[NH+](CC)CC)cc2)cc1 ZINC000189489366 823428770 /nfs/dbraw/zinc/42/87/70/823428770.db2.gz GXKSNKMKLKRMKR-QGZVFWFLSA-N 1 0 397.519 4.283 20 0 GIADRO CC(C)c1c(C(=O)NCC[NH+](C(C)C)C(C)C)cnn1-c1ccc(Cl)cc1 ZINC000058678590 823429010 /nfs/dbraw/zinc/42/90/10/823429010.db2.gz INHGNYSFBOXMNN-UHFFFAOYSA-N 1 0 390.959 4.498 20 0 GIADRO C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000122892961 823430013 /nfs/dbraw/zinc/43/00/13/823430013.db2.gz ZBOXRSOGVARPJR-KGLIPLIRSA-N 1 0 380.410 4.349 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)C1(c2ccc(Cl)cc2)CCOCC1 ZINC000177326824 823434426 /nfs/dbraw/zinc/43/44/26/823434426.db2.gz UGIGXNXJBDNELL-UHFFFAOYSA-N 1 0 386.923 4.397 20 0 GIADRO CC[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccc(OC)cc1OC)c1ccc(OC)cc1 ZINC000122893499 823430312 /nfs/dbraw/zinc/43/03/12/823430312.db2.gz RCGZCROETOMKLB-HNAYVOBHSA-N 1 0 386.492 4.170 20 0 GIADRO CN(C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000460557041 823431935 /nfs/dbraw/zinc/43/19/35/823431935.db2.gz UQMXUPWOFIMFCZ-XWTMOSNGSA-N 1 0 383.458 4.194 20 0 GIADRO COc1ccc(CC[NH2+][C@H](C)c2ccc(OC)c(NC(C)=O)c2)c(Cl)c1 ZINC000122906126 823432003 /nfs/dbraw/zinc/43/20/03/823432003.db2.gz HMKUDLVQQLYGDT-CYBMUJFWSA-N 1 0 376.884 4.209 20 0 GIADRO Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N[C@H](C)CCC[NH3+])cc1C ZINC000572999992 823432140 /nfs/dbraw/zinc/43/21/40/823432140.db2.gz GRSVAMHWQYCTDM-LJQANCHMSA-N 1 0 390.531 4.072 20 0 GIADRO COc1ccc(-c2nc(C(=O)Nc3cc(C[NH+](C)C)ccc3C)cs2)cc1 ZINC000177322010 823432887 /nfs/dbraw/zinc/43/28/87/823432887.db2.gz CHNBFBGFHYMBTR-UHFFFAOYSA-N 1 0 381.501 4.441 20 0 GIADRO CCS[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cc2c(cc1Cl)OCCCO2 ZINC000189505536 823433097 /nfs/dbraw/zinc/43/30/97/823433097.db2.gz RQCWYXKGUDCSCV-KSSFIOAISA-N 1 0 398.956 4.094 20 0 GIADRO OC[C@@]1(Cc2ccc(F)cc2)CC[N@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000573019750 823434740 /nfs/dbraw/zinc/43/47/40/823434740.db2.gz JTKGLJWGUKMEPZ-JOCHJYFZSA-N 1 0 399.897 4.092 20 0 GIADRO COc1cc(C(=O)NCCC[N@H+](C)C2CCCCC2)ccc1OC1CCCC1 ZINC000410251717 823434882 /nfs/dbraw/zinc/43/48/82/823434882.db2.gz ZYYGBQJLVKOSCO-UHFFFAOYSA-N 1 0 388.552 4.401 20 0 GIADRO COc1cc(C[N@H+](C)Cc2ccc(C(N)=O)cc2)ccc1OCc1ccccc1 ZINC000024732148 819869702 /nfs/dbraw/zinc/86/97/02/819869702.db2.gz WPNSMBHKHYCTSZ-UHFFFAOYSA-N 1 0 390.483 4.005 20 0 GIADRO COc1cc(C)c(C[N@H+](C)Cc2cc(=O)oc3cc4c(cc23)CCC4)cc1OC ZINC000024744715 819872065 /nfs/dbraw/zinc/87/20/65/819872065.db2.gz OXXBARHUSDMAEJ-UHFFFAOYSA-N 1 0 393.483 4.239 20 0 GIADRO CC(C)n1ncc2ccc(NC(=O)N[C@H]3CC[N@H+](C)[C@@H]3c3ccccc3)cc21 ZINC000189538511 823440215 /nfs/dbraw/zinc/44/02/15/823440215.db2.gz SYYKUMFYSYKTDI-PZJWPPBQSA-N 1 0 377.492 4.184 20 0 GIADRO Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccccc2C[NH+](C)C)cc1 ZINC000024812116 819880223 /nfs/dbraw/zinc/88/02/23/819880223.db2.gz IZPNTQLFKDAUIY-UHFFFAOYSA-N 1 0 393.487 4.113 20 0 GIADRO Cc1nn(-c2ccc(C(=O)Nc3ccccc3C[NH+](C)C)cc2)c(C)c1Cl ZINC000024809470 819880258 /nfs/dbraw/zinc/88/02/58/819880258.db2.gz YWANULAPDPQMMG-UHFFFAOYSA-N 1 0 382.895 4.456 20 0 GIADRO COC[C@@]1(C[NH2+][C@H](C)c2ccc(Br)s2)OCCc2ccccc21 ZINC000573023522 823435522 /nfs/dbraw/zinc/43/55/22/823435522.db2.gz SNQBCLCGDLFBKQ-FZKQIMNGSA-N 1 0 396.350 4.276 20 0 GIADRO C[NH+](C)CCCN(Cc1ccccc1)S(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000058702298 823435754 /nfs/dbraw/zinc/43/57/54/823435754.db2.gz XPMNJIUNTRSMDM-DTQAZKPQSA-N 1 0 392.952 4.094 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)CCc2cnn(-c3ccccc3)c2)c1 ZINC000024926763 819896420 /nfs/dbraw/zinc/89/64/20/819896420.db2.gz JHRPQOFVJVLWGP-UHFFFAOYSA-N 1 0 376.504 4.285 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)c2cccc(NC(=O)[C@@H]3C[C@@H]3C)c2)c1 ZINC000024928186 819896435 /nfs/dbraw/zinc/89/64/35/819896435.db2.gz HYKSCZARURDGHL-HRAATJIYSA-N 1 0 379.504 4.375 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)c1 ZINC000024926452 819896456 /nfs/dbraw/zinc/89/64/56/819896456.db2.gz HNGBMXASTFFBPA-UHFFFAOYSA-N 1 0 396.491 4.289 20 0 GIADRO Cc1ccc2c(c1)CCN2C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000024973559 819903080 /nfs/dbraw/zinc/90/30/80/819903080.db2.gz WPBXYDFWVHTSCC-UHFFFAOYSA-N 1 0 383.923 4.385 20 0 GIADRO O=C(C[NH+]1CCC(c2nc3cc(Cl)ccc3s2)CC1)N1CCCCC1 ZINC000025033655 819912567 /nfs/dbraw/zinc/91/25/67/819912567.db2.gz BCVSGDBZMZETJV-UHFFFAOYSA-N 1 0 377.941 4.142 20 0 GIADRO C[C@@H](CC(=O)Nc1ccccc1)[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000177334566 823437871 /nfs/dbraw/zinc/43/78/71/823437871.db2.gz ZYSNOXWDPSIFQG-INIZCTEOSA-N 1 0 380.517 4.145 20 0 GIADRO Cc1ccc(-c2nc(C(=O)NCc3cccc(C[NH+]4CCCC4)c3)cs2)o1 ZINC000025133017 819934400 /nfs/dbraw/zinc/93/44/00/819934400.db2.gz UATAGMZJLPVUJQ-UHFFFAOYSA-N 1 0 381.501 4.237 20 0 GIADRO COc1ccc([C@H]2CCC[N@@H+]2C[C@@H](O)COc2ccc3ccccc3c2)cc1 ZINC000025227430 819947109 /nfs/dbraw/zinc/94/71/09/819947109.db2.gz CCIWDXXEAKGWCJ-ZJSXRUAMSA-N 1 0 377.484 4.425 20 0 GIADRO C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1ccc(Cl)cc1NC(=O)c1ccco1 ZINC000573091751 823446237 /nfs/dbraw/zinc/44/62/37/823446237.db2.gz WBOADLGSGOOOCK-HNNXBMFYSA-N 1 0 377.872 4.148 20 0 GIADRO Cc1ccccc1-c1nnc(N2CCC[C@H]([NH+]3CCCC3)CC2)n1CC(C)C ZINC000460588918 823446248 /nfs/dbraw/zinc/44/62/48/823446248.db2.gz GYZHNUUSDJVPRI-FQEVSTJZSA-N 1 0 381.568 4.364 20 0 GIADRO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1cc(O)ccc1C(F)(F)F ZINC000189552455 823442396 /nfs/dbraw/zinc/44/23/96/823442396.db2.gz PCMFMCCEXTWRRF-UHFFFAOYSA-N 1 0 378.394 4.302 20 0 GIADRO Cc1cccc(-c2nc(CC(=O)NC[C@@H](c3ccccc3)[NH+](C)C)cs2)c1 ZINC000025421224 819978116 /nfs/dbraw/zinc/97/81/16/819978116.db2.gz SMNNXTKNQXADEZ-FQEVSTJZSA-N 1 0 379.529 4.080 20 0 GIADRO CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)[NH2+][C@H](c1ccccc1)C(C)C ZINC000025436118 819979147 /nfs/dbraw/zinc/97/91/47/819979147.db2.gz ADPSIBGHJONGDO-JPYJTQIMSA-N 1 0 395.547 4.021 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1[nH]c(C)c(C(C)=O)c1C(C)C ZINC000122977405 823442903 /nfs/dbraw/zinc/44/29/03/823442903.db2.gz ACQZCXLMDNFSCQ-UHFFFAOYSA-N 1 0 383.536 4.421 20 0 GIADRO Cn1ncc(NC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)c1-c1ccccc1 ZINC000573063927 823442877 /nfs/dbraw/zinc/44/28/77/823442877.db2.gz HHTPUFCDUUCUNR-FQEVSTJZSA-N 1 0 375.476 4.280 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1Cl)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177351622 823442944 /nfs/dbraw/zinc/44/29/44/823442944.db2.gz AHGLNOUWETYSGD-CHWSQXEVSA-N 1 0 384.904 4.141 20 0 GIADRO CCCN(CC[NH+]1CCCC1)C(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1 ZINC000573077467 823444656 /nfs/dbraw/zinc/44/46/56/823444656.db2.gz NBCBQLKKVJMJRT-UHFFFAOYSA-N 1 0 398.551 4.127 20 0 GIADRO Cc1nc(COC(C)(C)C)oc1C(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000573094347 823446629 /nfs/dbraw/zinc/44/66/29/823446629.db2.gz OGOMCVNTPXBICQ-IBGZPJMESA-N 1 0 399.535 4.035 20 0 GIADRO COc1cc(C[N@H+]2CC=C(c3ccnn3C)CC2)c(-c2ccccc2)cc1OC ZINC000573078936 823444973 /nfs/dbraw/zinc/44/49/73/823444973.db2.gz KLYLPTRODNIAHE-UHFFFAOYSA-N 1 0 389.499 4.394 20 0 GIADRO [NH3+]CCC1CCN(C(=O)N[C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000573096552 823446729 /nfs/dbraw/zinc/44/67/29/823446729.db2.gz AMUHDHGTFIJLKP-ZWKOTPCHSA-N 1 0 383.458 4.112 20 0 GIADRO COc1ccc(-n2c(C)cc(C(=O)NC[C@@H](c3ccsc3)[NH+](C)C)c2C)cc1 ZINC000025813886 820027767 /nfs/dbraw/zinc/02/77/67/820027767.db2.gz JTNVSHYAQQEGGM-NRFANRHFSA-N 1 0 397.544 4.197 20 0 GIADRO Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3cccc(C[NH+](C)C)c3)cc12 ZINC000025855236 820031627 /nfs/dbraw/zinc/03/16/27/820031627.db2.gz VKEJODDGNZDLRK-UHFFFAOYSA-N 1 0 385.471 4.043 20 0 GIADRO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)[C@H](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000573100718 823447442 /nfs/dbraw/zinc/44/74/42/823447442.db2.gz IOCNIIKOVVATHO-FGSXEWAUSA-N 1 0 377.532 4.275 20 0 GIADRO CCC(CC)[N@@H+](Cc1csc(-c2c(C)c(C)nn(C)c2=O)n1)CC(C)C ZINC000177370527 823447746 /nfs/dbraw/zinc/44/77/46/823447746.db2.gz TZKMUQKICLEAFK-UHFFFAOYSA-N 1 0 376.570 4.167 20 0 GIADRO CC(=O)c1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]2CC(=O)c2cccs2)cc1 ZINC000177397575 823453247 /nfs/dbraw/zinc/45/32/47/823453247.db2.gz VLRINAPFUYOACE-GOSISDBHSA-N 1 0 384.501 4.017 20 0 GIADRO Cc1cc2occ(CC(=O)NC[C@H](C)[N@@H+]3CCc4ccccc4C3)c2cc1C ZINC000025942610 820042182 /nfs/dbraw/zinc/04/21/82/820042182.db2.gz LYDRORFJOQQAQS-SFHVURJKSA-N 1 0 376.500 4.155 20 0 GIADRO COc1ccc(C[NH2+]Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)cc1C#N ZINC000189576885 823449029 /nfs/dbraw/zinc/44/90/29/823449029.db2.gz SQRMCJMAPYZRAA-UHFFFAOYSA-N 1 0 393.487 4.107 20 0 GIADRO Cc1ccc2c(C[NH+]3CCC([C@H](O)c4ccccc4)CC3)cc(=O)oc2c1C ZINC000026117606 820060758 /nfs/dbraw/zinc/06/07/58/820060758.db2.gz ROUPLQRTRYZJMD-HSZRJFAPSA-N 1 0 377.484 4.355 20 0 GIADRO CC(C)C[N@H+](CC(N)=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000026127324 820062101 /nfs/dbraw/zinc/06/21/01/820062101.db2.gz MRNIVDYDWIGXJW-UHFFFAOYSA-N 1 0 396.922 4.136 20 0 GIADRO COc1ccc([C@H](NC(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)C(C)C)cc1 ZINC000026173979 820066441 /nfs/dbraw/zinc/06/64/41/820066441.db2.gz DFOGQZXIBYCAQI-FDDCHVKYSA-N 1 0 395.547 4.138 20 0 GIADRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000410288360 823450324 /nfs/dbraw/zinc/45/03/24/823450324.db2.gz MVWFPXLKIGBDRM-QZNHQXDQSA-N 1 0 383.580 4.352 20 0 GIADRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)C1 ZINC000189581548 823451035 /nfs/dbraw/zinc/45/10/35/823451035.db2.gz JVEFHVQDZGBLSH-ZDUSSCGKSA-N 1 0 382.382 4.011 20 0 GIADRO CCSc1cc(C[NH2+]Cc2cc(Br)cc3c2OCC3)ccn1 ZINC000189581281 823451096 /nfs/dbraw/zinc/45/10/96/823451096.db2.gz RNDWBQRXIFVGLG-UHFFFAOYSA-N 1 0 379.323 4.181 20 0 GIADRO COc1ccc(C(=O)Nc2cccc(CNCC[NH+](C(C)C)C(C)C)c2)cc1 ZINC000026304801 820080288 /nfs/dbraw/zinc/08/02/88/820080288.db2.gz VIQGIYYSHPGLTI-UHFFFAOYSA-N 1 0 383.536 4.156 20 0 GIADRO Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]CCc1ccc2c(c1)OCO2 ZINC000026317187 820082067 /nfs/dbraw/zinc/08/20/67/820082067.db2.gz UXZMFWLNFNSZIU-UHFFFAOYSA-N 1 0 397.906 4.263 20 0 GIADRO CC(=O)Oc1ccc(C[N@@H+]2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)cc1 ZINC000123036107 823451525 /nfs/dbraw/zinc/45/15/25/823451525.db2.gz OPWHTGORWLLXTD-GOSISDBHSA-N 1 0 395.434 4.181 20 0 GIADRO CCC(CC)n1nc(C)cc1C(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000573130569 823451637 /nfs/dbraw/zinc/45/16/37/823451637.db2.gz IFBIOVZPWDLUKC-QGZVFWFLSA-N 1 0 390.959 4.281 20 0 GIADRO C[C@@H](NCc1cccc(C[NH+]2CCCC2)c1)c1ccc(-n2cncn2)cc1Cl ZINC000123043759 823452536 /nfs/dbraw/zinc/45/25/36/823452536.db2.gz CYMWBVVHLFKBFV-QGZVFWFLSA-N 1 0 395.938 4.367 20 0 GIADRO COc1ccc(C[N@H+](C)CCC(=O)Nc2cccc(Cl)c2)cc1OC(F)F ZINC000026453506 820099300 /nfs/dbraw/zinc/09/93/00/820099300.db2.gz NPVOAIYNEFWFAU-UHFFFAOYSA-N 1 0 398.837 4.411 20 0 GIADRO Cc1cnc([C@H](C)NC(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)s1 ZINC000177393674 823452561 /nfs/dbraw/zinc/45/25/61/823452561.db2.gz LOWPOHMCQSEUMV-WMLDXEAASA-N 1 0 392.956 4.302 20 0 GIADRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)c2c[nH]nc2-c2ccsc2)CC1 ZINC000189587519 823452712 /nfs/dbraw/zinc/45/27/12/823452712.db2.gz CYFNRBUULHFSBK-UHFFFAOYSA-N 1 0 394.544 4.122 20 0 GIADRO Cc1cnc([C@@H](C)NC(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)s1 ZINC000177393636 823452704 /nfs/dbraw/zinc/45/27/04/823452704.db2.gz LOWPOHMCQSEUMV-PBHICJAKSA-N 1 0 392.956 4.302 20 0 GIADRO CC[C@@H](C)Oc1cc(C[NH+]2CCC(NC(=O)c3ccccc3)CC2)ccc1OC ZINC000123047032 823452828 /nfs/dbraw/zinc/45/28/28/823452828.db2.gz VULDCWJRTKWPLH-GOSISDBHSA-N 1 0 396.531 4.267 20 0 GIADRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+]C3CCC(C(F)(F)F)CC3)cc2)C[C@H](C)O1 ZINC000123059745 823455103 /nfs/dbraw/zinc/45/51/03/823455103.db2.gz VKNFPYRASWJYMT-MYMYQCDVSA-N 1 0 398.469 4.147 20 0 GIADRO COc1ccc(OC)c([C@H](C)[NH2+]C[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)c1 ZINC000026715349 820136242 /nfs/dbraw/zinc/13/62/42/820136242.db2.gz LTAOOSKROZHHLZ-RLFYNMQTSA-N 1 0 393.911 4.147 20 0 GIADRO COc1c(Br)cccc1C[NH2+]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000189601340 823455814 /nfs/dbraw/zinc/45/58/14/823455814.db2.gz HCHBXLQCHACVMU-SWLSCSKDSA-N 1 0 396.247 4.031 20 0 GIADRO COC(=O)[C@H](C)[C@@H]([NH2+]Cc1ccc(-n2nc(C)cc2C)cc1)c1ccccc1 ZINC000177417603 823457654 /nfs/dbraw/zinc/45/76/54/823457654.db2.gz ZRQGOSNVAIESAB-XMSQKQJNSA-N 1 0 377.488 4.129 20 0 GIADRO O[C@@]1(C[NH2+]Cc2ccc(OCC(F)(F)F)cc2)CCC[C@H](C(F)(F)F)C1 ZINC000189612565 823457859 /nfs/dbraw/zinc/45/78/59/823457859.db2.gz QZQAAJZKAPFZAB-ZFWWWQNUSA-N 1 0 385.348 4.201 20 0 GIADRO Cc1ccc(OCc2cccc(C(=O)NC3CC[NH+](C4CCCC4)CC3)c2)cn1 ZINC000177417752 823457925 /nfs/dbraw/zinc/45/79/25/823457925.db2.gz QSWRVMIVLMEZPA-UHFFFAOYSA-N 1 0 393.531 4.106 20 0 GIADRO CC(=O)Oc1ccc(C[NH+]2CCC(c3nc(-c4ccccc4)no3)CC2)cc1 ZINC000123077968 823458182 /nfs/dbraw/zinc/45/81/82/823458182.db2.gz SLFBQPCZUSAHBL-UHFFFAOYSA-N 1 0 377.444 4.042 20 0 GIADRO C[NH+](C)CCOc1cccc(-c2noc(-c3coc(C4CCCCC4)n3)n2)c1 ZINC000573165502 823458339 /nfs/dbraw/zinc/45/83/39/823458339.db2.gz DQEOSVKJYWUKCB-UHFFFAOYSA-N 1 0 382.464 4.380 20 0 GIADRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)N1CCC[C@H]1c1ccc(F)cc1 ZINC000410307495 823458449 /nfs/dbraw/zinc/45/84/49/823458449.db2.gz QXELTZOYGORLIR-QHCPKHFHSA-N 1 0 395.522 4.379 20 0 GIADRO C[C@@H](Sc1cc(F)ccc1F)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000026996883 820176391 /nfs/dbraw/zinc/17/63/91/820176391.db2.gz MMVGEDLHCXVEBS-OAHLLOKOSA-N 1 0 390.499 4.226 20 0 GIADRO COc1cc(C[NH2+]C[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)ccc1OC(C)C ZINC000189614622 823459027 /nfs/dbraw/zinc/45/90/27/823459027.db2.gz SQLWVDAUDDWZBA-CRAIPNDOSA-N 1 0 375.431 4.056 20 0 GIADRO C[N@H+](Cc1ccccc1CNC(=O)COCCc1ccccc1)C1CCCCC1 ZINC000058827184 823460098 /nfs/dbraw/zinc/46/00/98/823460098.db2.gz GBCLKRYKCQREDC-UHFFFAOYSA-N 1 0 394.559 4.327 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3csc4c3CCCC4)c(C)c2)CC1 ZINC000027109129 820195208 /nfs/dbraw/zinc/19/52/08/820195208.db2.gz BAAOUNYVYJHTAP-UHFFFAOYSA-N 1 0 383.561 4.330 20 0 GIADRO Cc1nc(COc2ccc(C[NH2+][C@@H]3CCCc4c(F)cc(F)cc43)cc2)no1 ZINC000573175675 823460840 /nfs/dbraw/zinc/46/08/40/823460840.db2.gz NHDAWDJAMMRANT-HXUWFJFHSA-N 1 0 385.414 4.402 20 0 GIADRO COCCOc1ccc(C(F)(F)F)cc1NC(=O)C[N@H+](C)[C@@H](C)C(C)(C)C ZINC000027135871 820199680 /nfs/dbraw/zinc/19/96/80/820199680.db2.gz LUTWFIHDDGDWFS-ZDUSSCGKSA-N 1 0 390.446 4.036 20 0 GIADRO COc1cc(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)cc2c1O[C@H](C)C2 ZINC000027141335 820200711 /nfs/dbraw/zinc/20/07/11/820200711.db2.gz CXKPNIDMGMECEA-MRXNPFEDSA-N 1 0 380.488 4.257 20 0 GIADRO CC(C)NC(=O)Nc1cccc(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000027142756 820200721 /nfs/dbraw/zinc/20/07/21/820200721.db2.gz OTKSFEAYVOUPNB-UHFFFAOYSA-N 1 0 394.519 4.455 20 0 GIADRO COc1cc(CCC(=O)Nc2cccc(C[NH+]3CCCCC3)c2)cc(OC)c1 ZINC000027140926 820200815 /nfs/dbraw/zinc/20/08/15/820200815.db2.gz GTVKVWKVDVQOON-UHFFFAOYSA-N 1 0 382.504 4.261 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Cc1coc2cc3c(cc12)CCC3)c1cccc(F)c1 ZINC000027145395 820201105 /nfs/dbraw/zinc/20/11/05/820201105.db2.gz STKBRRCXYITGDS-NRFANRHFSA-N 1 0 380.463 4.022 20 0 GIADRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1ccc(-n2cnc3ccccc32)cc1 ZINC000177433971 823461311 /nfs/dbraw/zinc/46/13/11/823461311.db2.gz MIJDWRBRENPJIV-UHFFFAOYSA-N 1 0 388.515 4.162 20 0 GIADRO COc1cccc(C(=O)C(C(=S)Nc2ccc(F)cc2)[n+]2ccc(C)cc2)c1 ZINC000027194104 820208632 /nfs/dbraw/zinc/20/86/32/820208632.db2.gz GYIMEJSVPZIKGO-UHFFFAOYSA-O 1 0 395.479 4.481 20 0 GIADRO CN(C)[C@H](C[NH2+]Cc1ccccc1OCc1ccncc1)c1cccc(F)c1 ZINC000027217137 820210705 /nfs/dbraw/zinc/21/07/05/820210705.db2.gz JZDKSNOQSRWOBK-JOCHJYFZSA-N 1 0 379.479 4.192 20 0 GIADRO COC1(C[NH2+]Cc2sc(Sc3ccccc3)nc2Cl)CCOCC1 ZINC000123096113 823461756 /nfs/dbraw/zinc/46/17/56/823461756.db2.gz IFLSJNZUGZIHHU-UHFFFAOYSA-N 1 0 384.954 4.233 20 0 GIADRO O[C@@]1(C[NH2+]Cc2cc(Br)ccc2F)CCC[C@@H](C(F)(F)F)C1 ZINC000189628155 823462261 /nfs/dbraw/zinc/46/22/61/823462261.db2.gz XKCJQARLIUNDRB-RISCZKNCSA-N 1 0 384.211 4.161 20 0 GIADRO CCN(Cc1ccccc1C)C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000410330430 823465072 /nfs/dbraw/zinc/46/50/72/823465072.db2.gz OBTNCTFWYXYBDC-UHFFFAOYSA-N 1 0 379.548 4.500 20 0 GIADRO O=C(NC[C@@H]1CCCO1)c1cccc(C[NH2+][C@@H]2CCCCc3ccccc32)c1 ZINC000177438386 823462278 /nfs/dbraw/zinc/46/22/78/823462278.db2.gz TZSFCOXXRQZLND-JTHBVZDNSA-N 1 0 378.516 4.153 20 0 GIADRO COc1cccc([C@H](CNC(=O)COc2ccccc2C(C)C)[NH+]2CCCC2)c1 ZINC000027340426 820227272 /nfs/dbraw/zinc/22/72/72/820227272.db2.gz DBYXKZMXAHVLPP-QFIPXVFZSA-N 1 0 396.531 4.151 20 0 GIADRO O[C@@]1(C[NH2+]Cc2ccc(-c3ccncc3)cc2F)CCC[C@@H](C(F)(F)F)C1 ZINC000189632737 823463099 /nfs/dbraw/zinc/46/30/99/823463099.db2.gz PRMBKXBFKVKMIO-MJGOQNOKSA-N 1 0 382.401 4.461 20 0 GIADRO Cc1[nH]c2c(cccc2C(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)c1C ZINC000027390419 820237623 /nfs/dbraw/zinc/23/76/23/820237623.db2.gz PZNMNLLYGDALAB-UHFFFAOYSA-N 1 0 375.516 4.441 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)Nc2cnn([C@H](C)C3CC3)c2)CC1 ZINC000189634000 823463503 /nfs/dbraw/zinc/46/35/03/823463503.db2.gz DQUJQRMISHFMAR-IAGOWNOFSA-N 1 0 381.524 4.201 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1ccnc(N2CCCCC2)c1)CC3 ZINC000123108772 823463566 /nfs/dbraw/zinc/46/35/66/823463566.db2.gz WIYZJHQPIDXFQH-GOSISDBHSA-N 1 0 390.531 4.209 20 0 GIADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCc3cc(Cl)ccc3C2)CC1 ZINC000189640207 823465305 /nfs/dbraw/zinc/46/53/05/823465305.db2.gz AIGGGKVZOVFQCN-INIZCTEOSA-N 1 0 398.938 4.028 20 0 GIADRO CSCCCNC(=S)C(C(=O)c1cc(C)sc1C)[n+]1cccc(C)c1 ZINC000027479171 820250037 /nfs/dbraw/zinc/25/00/37/820250037.db2.gz LNLQZTPGFITDBH-UHFFFAOYSA-O 1 0 393.623 4.242 20 0 GIADRO CCc1cccc[n+]1C(C(=O)c1ccc(C)cc1)C(=S)NCCCSC ZINC000027481290 820250071 /nfs/dbraw/zinc/25/00/71/820250071.db2.gz OLCULZDYJPBAAO-UHFFFAOYSA-O 1 0 387.594 4.126 20 0 GIADRO CCOc1ccc(C[NH2+]C[C@]2(O)CCC[C@@H](C(F)(F)F)C2)cc1OCC ZINC000189637140 823464207 /nfs/dbraw/zinc/46/42/07/823464207.db2.gz ODVAVEZPEXZVDH-QAPCUYQASA-N 1 0 375.431 4.057 20 0 GIADRO O=C(Nc1ccccc1C(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccccc1 ZINC000177448579 823464507 /nfs/dbraw/zinc/46/45/07/823464507.db2.gz CLHIFTBOXXQQRG-UHFFFAOYSA-N 1 0 391.515 4.076 20 0 GIADRO CCC(CC)C(=O)N1CCC([NH2+][C@@H]2CCc3[nH]c4ccc(OC)cc4c3C2)CC1 ZINC000123114051 823464593 /nfs/dbraw/zinc/46/45/93/823464593.db2.gz SDYOFOHUZPZOSE-GOSISDBHSA-N 1 0 397.563 4.051 20 0 GIADRO CCOc1cccc2[nH]cc(CC(=O)NC[C@H](c3ccccc3)[NH+]3CCCC3)c21 ZINC000189638531 823464636 /nfs/dbraw/zinc/46/46/36/823464636.db2.gz WSJCHWLSOIHMEF-OAQYLSRUSA-N 1 0 391.515 4.062 20 0 GIADRO CC1CC[NH+]([C@H](CNC(=O)c2cccc3ncccc32)c2cccs2)CC1 ZINC000027575336 820261944 /nfs/dbraw/zinc/26/19/44/820261944.db2.gz BUVBAVBALPQJHP-HXUWFJFHSA-N 1 0 379.529 4.499 20 0 GIADRO Cn1c2ccccc2c2cc(C(=O)NC[C@H](Cc3ccccc3)[NH+](C)C)sc21 ZINC000027580344 820263494 /nfs/dbraw/zinc/26/34/94/820263494.db2.gz VXDPGJMSWSHEBA-KRWDZBQOSA-N 1 0 391.540 4.296 20 0 GIADRO O=C(c1csc(-c2ccc(Cl)s2)n1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000573254259 823471147 /nfs/dbraw/zinc/47/11/47/823471147.db2.gz WUCVDSUUTKSKPQ-DGCLKSJQSA-N 1 0 381.954 4.129 20 0 GIADRO CSCc1c2ccccc2oc1C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000027590814 820264388 /nfs/dbraw/zinc/26/43/88/820264388.db2.gz DSPNTNAJVIMZJR-GOSISDBHSA-N 1 0 386.492 4.468 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1ccccc1COc1ccccc1)c1cccc(F)c1 ZINC000027594728 820264998 /nfs/dbraw/zinc/26/49/98/820264998.db2.gz WUHVCJOIPRUEGQ-HSZRJFAPSA-N 1 0 392.474 4.437 20 0 GIADRO CSCc1c2ccccc2oc1C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000027590819 820265159 /nfs/dbraw/zinc/26/51/59/820265159.db2.gz DSPNTNAJVIMZJR-SFHVURJKSA-N 1 0 386.492 4.468 20 0 GIADRO O=C(CSc1ccc2c(c1)CCC2)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000058880586 823465805 /nfs/dbraw/zinc/46/58/05/823465805.db2.gz BBRSTQVIZHBPQY-UHFFFAOYSA-N 1 0 386.605 4.382 20 0 GIADRO CC[C@@H](NC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)c1ccc(OC)cc1 ZINC000410332742 823465865 /nfs/dbraw/zinc/46/58/65/823465865.db2.gz MFBBSJVIAXMXJJ-HSZRJFAPSA-N 1 0 395.547 4.419 20 0 GIADRO CCCn1c(C)c(C(=O)NC[C@H](c2cccs2)[NH+](C)C)c2cc(OC)ccc21 ZINC000027678744 820274071 /nfs/dbraw/zinc/27/40/71/820274071.db2.gz MIBZWQWMVFVQET-LJQANCHMSA-N 1 0 399.560 4.463 20 0 GIADRO Cc1ccc(-c2nc(CC(=O)NC[C@@H](c3cccs3)[NH+](C)C)cs2)cc1 ZINC000027677416 820274300 /nfs/dbraw/zinc/27/43/00/820274300.db2.gz CLPULXHUBNFENY-KRWDZBQOSA-N 1 0 385.558 4.142 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)NCc1ccccc1Cl ZINC000058888110 823466763 /nfs/dbraw/zinc/46/67/63/823466763.db2.gz UPHAUDAYKZKCFD-UHFFFAOYSA-N 1 0 375.900 4.382 20 0 GIADRO CCCOc1c(Cl)cc(C(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1OCC ZINC000027745655 820281446 /nfs/dbraw/zinc/28/14/46/820281446.db2.gz ZWXXDTJJSGWVSX-HNNXBMFYSA-N 1 0 382.932 4.132 20 0 GIADRO CCCOc1c(Cl)cc(C(=O)N[C@H](C)C[NH+]2CCCCC2)cc1OCC ZINC000027745665 820282075 /nfs/dbraw/zinc/28/20/75/820282075.db2.gz ZWXXDTJJSGWVSX-OAHLLOKOSA-N 1 0 382.932 4.132 20 0 GIADRO Cc1nc(CSc2ccc(C(=O)N[C@@H](C)C[NH+]3CCCCC3)cc2)cs1 ZINC000027760346 820283284 /nfs/dbraw/zinc/28/32/84/820283284.db2.gz NPKDAZRQIXTDOC-HNNXBMFYSA-N 1 0 389.590 4.348 20 0 GIADRO CC(C)COC[C@@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)c1ccco1 ZINC000177459184 823467328 /nfs/dbraw/zinc/46/73/28/823467328.db2.gz VLZGSIRLCQOQIE-HXUWFJFHSA-N 1 0 391.556 4.090 20 0 GIADRO CC1CC[NH+](Cc2ccc(CNC(=O)N(C)Cc3ccccc3F)cc2)CC1 ZINC000410340072 823467363 /nfs/dbraw/zinc/46/73/63/823467363.db2.gz WNOUOLCOPFHMNY-UHFFFAOYSA-N 1 0 383.511 4.399 20 0 GIADRO COc1ccc(CNC(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)cc1 ZINC000410341521 823467722 /nfs/dbraw/zinc/46/77/22/823467722.db2.gz WRBVSDNHFWANNW-SFHVURJKSA-N 1 0 381.520 4.069 20 0 GIADRO COc1ccc2ccccc2c1CN(C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1)C1CCCC1 ZINC000573225402 823467841 /nfs/dbraw/zinc/46/78/41/823467841.db2.gz FPTLWOHDHTWZSX-PKOBYXMFSA-N 1 0 395.547 4.443 20 0 GIADRO Cc1[nH]c2c(cccc2C(=O)NC2CC[NH+](CCc3ccccc3)CC2)c1C ZINC000027936175 820298798 /nfs/dbraw/zinc/29/87/98/820298798.db2.gz NKZZPCYJSYNZIX-UHFFFAOYSA-N 1 0 375.516 4.222 20 0 GIADRO CC(C)c1cccc(OCC(=O)NC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000027937453 820299371 /nfs/dbraw/zinc/29/93/71/820299371.db2.gz VUSBREVRHNBRNK-UHFFFAOYSA-N 1 0 380.532 4.012 20 0 GIADRO Cc1ccc(-n2cc(NC(=O)N3CCC(CCC[NH+](C)C)CC3)cn2)c(C)c1 ZINC000189656027 823468762 /nfs/dbraw/zinc/46/87/62/823468762.db2.gz OVHFUMWFJLIVSN-UHFFFAOYSA-N 1 0 383.540 4.075 20 0 GIADRO CC1CC[NH+](CCCNC(=O)c2ccc(C3SCCCS3)cc2)CC1 ZINC000028068704 820309077 /nfs/dbraw/zinc/30/90/77/820309077.db2.gz BDLDOSZHAIHLSU-UHFFFAOYSA-N 1 0 378.607 4.407 20 0 GIADRO C[C@H]([NH3+])c1ccc(CNC(=O)C2(Cc3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000573235399 823468817 /nfs/dbraw/zinc/46/88/17/823468817.db2.gz BVLFZTJEOOCJRN-AWEZNQCLSA-N 1 0 392.421 4.244 20 0 GIADRO COc1ncc(C[N@H+](C)CCCCCc2cc(-c3ccccc3)no2)c(C)n1 ZINC000410346629 823469193 /nfs/dbraw/zinc/46/91/93/823469193.db2.gz WOQWQUIQFFZNJJ-UHFFFAOYSA-N 1 0 380.492 4.293 20 0 GIADRO O=C(CCC(=O)c1ccc2c(c1)CCC2)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000028174341 820315881 /nfs/dbraw/zinc/31/58/81/820315881.db2.gz AMDASODBUNNAQL-UHFFFAOYSA-N 1 0 376.500 4.373 20 0 GIADRO CC(C)OCCCNC(=O)C1CC[NH+](C[C@H](C)c2cccc(Cl)c2)CC1 ZINC000189659718 823469444 /nfs/dbraw/zinc/46/94/44/823469444.db2.gz DVQARVSBXNHDOB-KRWDZBQOSA-N 1 0 380.960 4.087 20 0 GIADRO CC[C@@H](C(=O)NCc1ccccc1CN1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1 ZINC000460659759 823469460 /nfs/dbraw/zinc/46/94/60/823469460.db2.gz YEVQXZIFLARZIG-IEGUWTFLSA-N 1 0 398.522 4.245 20 0 GIADRO Cc1ccc(NC(=O)[C@H]([NH2+]CCN2CCc3ccccc3C2)c2ccccc2)cc1 ZINC000028340733 820326534 /nfs/dbraw/zinc/32/65/34/820326534.db2.gz RXYGVQISOKAZNO-RUZDIDTESA-N 1 0 399.538 4.323 20 0 GIADRO Cc1ccc(C)c(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)c1 ZINC000028349263 820327745 /nfs/dbraw/zinc/32/77/45/820327745.db2.gz GZWKUQRSLFSCSF-DLBZAZTESA-N 1 0 379.504 4.330 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1ccccc1Cl ZINC000028349296 820327893 /nfs/dbraw/zinc/32/78/93/820327893.db2.gz IVSOXPVIQGISKF-KBPBESRZSA-N 1 0 385.895 4.366 20 0 GIADRO CC(C)(NC(=O)c1cccc(Cl)c1)c1noc(CC[C@H]([NH3+])c2ccccc2)n1 ZINC000573246842 823470216 /nfs/dbraw/zinc/47/02/16/823470216.db2.gz IGWZGMXEVRPASL-KRWDZBQOSA-N 1 0 398.894 4.021 20 0 GIADRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)N[C@@H]1CCSc2ccc(F)cc21 ZINC000028354262 820328757 /nfs/dbraw/zinc/32/87/57/820328757.db2.gz ABVMXDNUPZVMKE-HXUWFJFHSA-N 1 0 399.535 4.110 20 0 GIADRO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)c(C)c1 ZINC000028350758 820328848 /nfs/dbraw/zinc/32/88/48/820328848.db2.gz KOXBZQQATGZHLD-IAGOWNOFSA-N 1 0 379.504 4.330 20 0 GIADRO CC[C@H](NC(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1ccc(OC)cc1 ZINC000028390502 820332149 /nfs/dbraw/zinc/33/21/49/820332149.db2.gz HLBDTETYZSOLPS-QFIPXVFZSA-N 1 0 381.520 4.242 20 0 GIADRO C[C@H](NC(=O)NCc1cccc(C[NH+](C)C)c1)c1ccc(Br)cc1 ZINC000028398750 820332986 /nfs/dbraw/zinc/33/29/86/820332986.db2.gz QQPBXFUFPUHFQA-AWEZNQCLSA-N 1 0 390.325 4.071 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CCc1nc2c(cccc2C)o1)CC3 ZINC000410357236 823472868 /nfs/dbraw/zinc/47/28/68/823472868.db2.gz DADVMYWDKWDDIE-HNNXBMFYSA-N 1 0 375.472 4.316 20 0 GIADRO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1ccc(-c2ccccc2)cc1 ZINC000028727449 820353338 /nfs/dbraw/zinc/35/33/38/820353338.db2.gz QAHFKTVYNQOULY-KRWDZBQOSA-N 1 0 380.513 4.194 20 0 GIADRO COc1cccc([C@H](CNC(=O)c2ccc(OC3CCCC3)cc2)[NH+](C)C)c1 ZINC000028840820 820362739 /nfs/dbraw/zinc/36/27/39/820362739.db2.gz AGPFOCUUUGQQNB-QFIPXVFZSA-N 1 0 382.504 4.049 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1)C(=O)Nc1cccnc1Cl ZINC000028878200 820366132 /nfs/dbraw/zinc/36/61/32/820366132.db2.gz SBJNEMGMYUXXCO-QWRGUYRKSA-N 1 0 382.689 4.175 20 0 GIADRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(Br)cc2)cc1 ZINC000028893668 820368139 /nfs/dbraw/zinc/36/81/39/820368139.db2.gz AEAQARQHUPIBKU-QWHCGFSZSA-N 1 0 377.282 4.136 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1)C(=O)Nc1ccc(F)cc1F ZINC000028893758 820368425 /nfs/dbraw/zinc/36/84/25/820368425.db2.gz QSRQVVAXTHQAGA-QWRGUYRKSA-N 1 0 383.236 4.405 20 0 GIADRO C[C@@H](NCc1ccccc1C[NH+]1CCCCC1)C(=O)Nc1c(F)cccc1F ZINC000028899398 820369625 /nfs/dbraw/zinc/36/96/25/820369625.db2.gz ZMWFYBUAIIZCTL-MRXNPFEDSA-N 1 0 387.474 4.068 20 0 GIADRO CO[C@H](CNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC000410361070 823474032 /nfs/dbraw/zinc/47/40/32/823474032.db2.gz UIJULIGEPRIPQV-WMZHIEFXSA-N 1 0 395.547 4.105 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)c1 ZINC000028918112 820372630 /nfs/dbraw/zinc/37/26/30/820372630.db2.gz VARHAKYGTBLIAH-BLLLJJGKSA-N 1 0 397.302 4.042 20 0 GIADRO Fc1ccc(CN2CCC[N@H+](Cc3ccc(Oc4cnccn4)cc3)CC2)cc1 ZINC000123178894 823474545 /nfs/dbraw/zinc/47/45/45/823474545.db2.gz ZLONAMKSSWRYAD-UHFFFAOYSA-N 1 0 392.478 4.116 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)COc2ccc(F)cc2F)cc1 ZINC000058950528 823474686 /nfs/dbraw/zinc/47/46/86/823474686.db2.gz SFQRGURSDUPCTO-INIZCTEOSA-N 1 0 388.458 4.034 20 0 GIADRO C[C@@H]1C[N@@H+](CCC2CCN(Cc3csc(-c4ccoc4)n3)CC2)C[C@H](C)O1 ZINC000177490201 823474746 /nfs/dbraw/zinc/47/47/46/823474746.db2.gz WCDHSTLKOXJAOQ-CALCHBBNSA-N 1 0 389.565 4.114 20 0 GIADRO COc1cc(F)ccc1NC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000410364191 823475519 /nfs/dbraw/zinc/47/55/19/823475519.db2.gz YKGUCFXMPZQXCU-MRXNPFEDSA-N 1 0 385.483 4.388 20 0 GIADRO Cc1ccc(NC(=O)NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)cc1F ZINC000410365069 823475764 /nfs/dbraw/zinc/47/57/64/823475764.db2.gz JHTVPJFCCNPFIG-IRXDYDNUSA-N 1 0 385.483 4.065 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1oc2ccccc2c1COC)c1ccccc1 ZINC000029165234 820403437 /nfs/dbraw/zinc/40/34/37/820403437.db2.gz TULJVPJQEWJWSH-HXUWFJFHSA-N 1 0 380.488 4.392 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1oc2ccccc2c1COC)c1ccccc1 ZINC000029165228 820403515 /nfs/dbraw/zinc/40/35/15/820403515.db2.gz TULJVPJQEWJWSH-FQEVSTJZSA-N 1 0 380.488 4.392 20 0 GIADRO O=C(Cc1csc(-c2ccccc2)n1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000029177755 820406484 /nfs/dbraw/zinc/40/64/84/820406484.db2.gz ODBUGAVLHHMZHP-NRFANRHFSA-N 1 0 391.540 4.306 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CC=C(c2ccccc2F)C1 ZINC000573290931 823476545 /nfs/dbraw/zinc/47/65/45/823476545.db2.gz WCWRQIBUAOXJFV-UHFFFAOYSA-N 1 0 381.495 4.275 20 0 GIADRO COc1ccc(OC)c([C@H](C)NC(=O)C[NH2+][C@H](c2ccc(F)cc2)C(C)C)c1 ZINC000029198720 820410099 /nfs/dbraw/zinc/41/00/99/820410099.db2.gz STCGTMOYWAMJQU-NYHFZMIOSA-N 1 0 388.483 4.007 20 0 GIADRO CCCCN(C)C[C@@H](C)[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000573292002 823476938 /nfs/dbraw/zinc/47/69/38/823476938.db2.gz KLDQOBYSMAVWII-MSOLQXFVSA-N 1 0 380.598 4.174 20 0 GIADRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)Nc1cnn([C@H](C)C2CC2)c1 ZINC000189697713 823478458 /nfs/dbraw/zinc/47/84/58/823478458.db2.gz AFAOEKBVOTVGAJ-GOSISDBHSA-N 1 0 383.540 4.230 20 0 GIADRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)Nc3ccc4c(c3)CCC4)cc2)C[C@H](C)O1 ZINC000410372087 823479046 /nfs/dbraw/zinc/47/90/46/823479046.db2.gz UNMAYAQFOCIPAZ-HDICACEKSA-N 1 0 393.531 4.106 20 0 GIADRO C[C@@H]1C[NH+](CCC2CCN(Cc3coc(-c4cccs4)n3)CC2)C[C@@H](C)O1 ZINC000177506141 823479090 /nfs/dbraw/zinc/47/90/90/823479090.db2.gz VBMJQTQVYUEOGE-IAGOWNOFSA-N 1 0 389.565 4.114 20 0 GIADRO C[C@@H]1CN(C(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)C[C@H](c2ccsc2)O1 ZINC000573308840 823479135 /nfs/dbraw/zinc/47/91/35/823479135.db2.gz KUVGIFXMQHMSNK-IPHXSNPTSA-N 1 0 395.528 4.073 20 0 GIADRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)Nc3ccc(Cl)cc3)cc2)C[C@H](C)O1 ZINC000410373744 823479382 /nfs/dbraw/zinc/47/93/82/823479382.db2.gz XQLOENGQSVIWCY-IYBDPMFKSA-N 1 0 387.911 4.271 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)CCc3ccc(Cl)cc3)c(C)c2)CC1 ZINC000029376763 820446261 /nfs/dbraw/zinc/44/62/61/820446261.db2.gz YVZRSOOTVZDHOL-UHFFFAOYSA-N 1 0 385.939 4.362 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)CCc3cc4ccccc4o3)c(C)c2)CC1 ZINC000029376417 820446415 /nfs/dbraw/zinc/44/64/15/820446415.db2.gz HQULJAFUXCDYIL-UHFFFAOYSA-N 1 0 391.515 4.454 20 0 GIADRO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccc(-n2ccnc2)cc1 ZINC000029402733 820450767 /nfs/dbraw/zinc/45/07/67/820450767.db2.gz ZFAMRVSWZXFQJT-NRFANRHFSA-N 1 0 394.906 4.093 20 0 GIADRO CC(=O)c1ccc(NC(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000410375633 823480336 /nfs/dbraw/zinc/48/03/36/823480336.db2.gz PODRJFGZIVHCSO-KRWDZBQOSA-N 1 0 379.504 4.443 20 0 GIADRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)c1cc(Cl)sc1Cl ZINC000058991156 823480335 /nfs/dbraw/zinc/48/03/35/823480335.db2.gz BFSCGISGLNZMNQ-UHFFFAOYSA-N 1 0 375.296 4.398 20 0 GIADRO C[N@H+](CC(=O)Nc1cc2c(cc1Cl)OCCCO2)[C@H]1CCc2ccccc21 ZINC000029489213 820463459 /nfs/dbraw/zinc/46/34/59/820463459.db2.gz ASLCDQWBWGRDNA-SFHVURJKSA-N 1 0 386.879 4.059 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCCc2cc(F)ccc2F)CC1 ZINC000177518512 823481065 /nfs/dbraw/zinc/48/10/65/823481065.db2.gz GSQRHXLIKKHEBD-INIZCTEOSA-N 1 0 387.474 4.032 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)CCC(=O)c1ccc(Cl)cc1 ZINC000059001066 823481411 /nfs/dbraw/zinc/48/14/11/823481411.db2.gz MHXFUBOJENWMSH-UHFFFAOYSA-N 1 0 390.886 4.032 20 0 GIADRO Cc1c(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cnn1-c1ccc(C)cc1 ZINC000029548005 820474068 /nfs/dbraw/zinc/47/40/68/820474068.db2.gz QUWNLOPLZATQCP-UHFFFAOYSA-N 1 0 388.515 4.015 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)CCCC[C@H]1CCSS1 ZINC000059002459 823481725 /nfs/dbraw/zinc/48/17/25/823481725.db2.gz IRXINGCLWCDUHK-SFHVURJKSA-N 1 0 384.586 4.430 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H](C)Cc1ccc(OC)c(OC)c1)CC3 ZINC000123228453 823481732 /nfs/dbraw/zinc/48/17/32/823481732.db2.gz JVSLEAPNFBLIFL-NVXWUHKLSA-N 1 0 394.515 4.272 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)CCSc1ccc(F)cc1 ZINC000059002230 823481766 /nfs/dbraw/zinc/48/17/66/823481766.db2.gz MJQMOGAIEYDYQK-UHFFFAOYSA-N 1 0 378.488 4.037 20 0 GIADRO CC(C)CCNC(=O)[C@H](C)[NH2+]C[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000029569794 820477842 /nfs/dbraw/zinc/47/78/42/820477842.db2.gz IBHYIDHAXAKGSE-RXVVDRJESA-N 1 0 377.532 4.440 20 0 GIADRO O=C(N[C@H](c1cc2ccccc2o1)c1ccccc1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000573344683 823482323 /nfs/dbraw/zinc/48/23/23/823482323.db2.gz SUTZAGKSMNODBW-AWWSKVOZSA-N 1 0 389.499 4.210 20 0 GIADRO CCC[C@@H](NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)c1cccc(C(F)(F)F)c1 ZINC000573344716 823482351 /nfs/dbraw/zinc/48/23/51/823482351.db2.gz XWMUJBXKIMMYCG-MJGOQNOKSA-N 1 0 383.458 4.332 20 0 GIADRO Oc1ccc(N2CC[NH+](CCOC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000029630630 820488442 /nfs/dbraw/zinc/48/84/42/820488442.db2.gz AEHHIWLYDBBIQC-UHFFFAOYSA-N 1 0 388.511 4.320 20 0 GIADRO CC1CC[NH+]([C@H](CNC(=O)NCCc2cccs2)c2cccs2)CC1 ZINC000029655187 820494381 /nfs/dbraw/zinc/49/43/81/820494381.db2.gz NZYGDHLXFBLXFA-QGZVFWFLSA-N 1 0 377.579 4.125 20 0 GIADRO CCC[N@H+](CC)Cc1ccc(C(=O)Nc2cccc3c2ccn(C)c3=O)cc1 ZINC000410389135 823483723 /nfs/dbraw/zinc/48/37/23/823483723.db2.gz AVHOEFZWOKLIPK-UHFFFAOYSA-N 1 0 377.488 4.023 20 0 GIADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)Nc1cnn([C@@H](C)C2CC2)c1 ZINC000189759479 823489381 /nfs/dbraw/zinc/48/93/81/823489381.db2.gz YLVFPXFZCHYFMV-INIZCTEOSA-N 1 0 389.569 4.292 20 0 GIADRO C[N@@H+](Cc1cnc2ccccc2c1)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000410391094 823484338 /nfs/dbraw/zinc/48/43/38/823484338.db2.gz HBLCIOWWKJNDNK-SFHVURJKSA-N 1 0 390.405 4.125 20 0 GIADRO COc1ccccc1C(C)(C)C(=O)Nc1ccc(OCC[NH+]2CCCC2)c(C)c1 ZINC000573406708 823489440 /nfs/dbraw/zinc/48/94/40/823489440.db2.gz SLSPUQQEZPHRTM-UHFFFAOYSA-N 1 0 396.531 4.395 20 0 GIADRO CC(C)OCc1ccccc1CNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000029729913 820507992 /nfs/dbraw/zinc/50/79/92/820507992.db2.gz OTJYPTOMJFZEBS-QHCPKHFHSA-N 1 0 395.547 4.248 20 0 GIADRO Cc1c(C(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)cnn1C1CCCC1 ZINC000123248688 823485023 /nfs/dbraw/zinc/48/50/23/823485023.db2.gz QOQONQYJDNKWLG-SFHVURJKSA-N 1 0 380.536 4.043 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCn4cccc4[C@@H]3C)cc2)C1 ZINC000410393257 823485042 /nfs/dbraw/zinc/48/50/42/823485042.db2.gz OXXIVANAUZDPDH-OALUTQOASA-N 1 0 380.536 4.006 20 0 GIADRO CN(C)c1ccccc1-c1noc([C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)n1 ZINC000573365117 823485115 /nfs/dbraw/zinc/48/51/15/823485115.db2.gz SHWGBSQKZXLFIJ-SFHVURJKSA-N 1 0 398.457 4.427 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)Nc1ccc(Cl)c(F)c1)[NH+]1CCCC1 ZINC000059059550 823485183 /nfs/dbraw/zinc/48/51/83/823485183.db2.gz CRGWIKWUNHBLBA-SFHVURJKSA-N 1 0 391.874 4.446 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(OCc3cccc(F)c3)c2)C1 ZINC000177536163 823485329 /nfs/dbraw/zinc/48/53/29/823485329.db2.gz CMGBFJQTPVIEFE-GOSISDBHSA-N 1 0 385.483 4.210 20 0 GIADRO C[NH+](C)C1(CNC(=O)c2ccc(OCc3ccncc3)cc2)CCCCCC1 ZINC000029782825 820517655 /nfs/dbraw/zinc/51/76/55/820517655.db2.gz ICCWMMOVCIVVRQ-UHFFFAOYSA-N 1 0 381.520 4.045 20 0 GIADRO O=C(c1ccc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc1)N1CCCC1 ZINC000029828313 820526591 /nfs/dbraw/zinc/52/65/91/820526591.db2.gz IRKREPJEDPHHAJ-HXUWFJFHSA-N 1 0 389.499 4.443 20 0 GIADRO O=C(CC[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1)NCc1ccccc1Cl ZINC000029828601 820527527 /nfs/dbraw/zinc/52/75/27/820527527.db2.gz MGDXKDDUGZMTNA-QGZVFWFLSA-N 1 0 397.906 4.367 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+](C)CCCOc1ccccc1 ZINC000029852734 820532875 /nfs/dbraw/zinc/53/28/75/820532875.db2.gz HTYZEMLQLBVNSQ-HNNXBMFYSA-N 1 0 376.884 4.077 20 0 GIADRO CC[NH+]1CCC(CNC(=O)N(Cc2ccccc2C(F)(F)F)CC2CC2)CC1 ZINC000573395891 823487736 /nfs/dbraw/zinc/48/77/36/823487736.db2.gz UAAJUGBLRJPZKY-UHFFFAOYSA-N 1 0 397.485 4.359 20 0 GIADRO CC[N@H+](CC(=O)Nc1ccc(OC(F)F)c(-c2ccc(OC)cc2)c1)C1CC1 ZINC000029913861 820547581 /nfs/dbraw/zinc/54/75/81/820547581.db2.gz FRVULZATBVOYEI-UHFFFAOYSA-N 1 0 390.430 4.386 20 0 GIADRO Cc1noc(C)c1COc1cccc(C(=O)Nc2ccc(C[NH+](C)C)cc2)c1 ZINC000029953323 820556323 /nfs/dbraw/zinc/55/63/23/820556323.db2.gz BMZVGWZGFOCOCI-UHFFFAOYSA-N 1 0 379.460 4.184 20 0 GIADRO Cc1nc2ccccc2nc1NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000030001559 820565875 /nfs/dbraw/zinc/56/58/75/820565875.db2.gz JZDYFWYDYVEDEK-CALCHBBNSA-N 1 0 376.504 4.160 20 0 GIADRO COc1ccc(NC(=O)[C@@H]([NH2+]CCOc2ccc(C)cc2)c2ccccc2)cc1 ZINC000030007778 820568233 /nfs/dbraw/zinc/56/82/33/820568233.db2.gz LEKVDLMHKYSQMB-QHCPKHFHSA-N 1 0 390.483 4.352 20 0 GIADRO COc1ccc(S[C@@H](C)C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000059363538 823493730 /nfs/dbraw/zinc/49/37/30/823493730.db2.gz KTDNPXWBHWDCQR-SFHVURJKSA-N 1 0 398.572 4.478 20 0 GIADRO COc1ccc2c(c1)[C@H](c1nc(-c3ccc(C[NH+]4CCCC4)cc3)no1)CC2 ZINC000573523704 823494028 /nfs/dbraw/zinc/49/40/28/823494028.db2.gz MRGAMZNNPDLBPH-HXUWFJFHSA-N 1 0 375.472 4.419 20 0 GIADRO C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@@H](C)[C@H](OC1CCOCC1)c1ccccc1 ZINC000123306402 823494104 /nfs/dbraw/zinc/49/41/04/823494104.db2.gz RBXLKVYSMOIVJF-IMWIBFENSA-N 1 0 396.531 4.319 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1cnn([C@@H](C)C2CC2)c1)c1ccsc1 ZINC000189785319 823494143 /nfs/dbraw/zinc/49/41/43/823494143.db2.gz XSRHALHUDUNAAM-KSSFIOAISA-N 1 0 375.542 4.120 20 0 GIADRO COc1ccccc1C[N@H+](C[C@@H](O)COc1cccc2ccccc21)C1CC1 ZINC000059376019 823494364 /nfs/dbraw/zinc/49/43/64/823494364.db2.gz YMOYREQMQAUVDL-OAQYLSRUSA-N 1 0 377.484 4.253 20 0 GIADRO CC(C)[C@H]1C[C@@H](NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)c2ccccc21 ZINC000573411311 823490240 /nfs/dbraw/zinc/49/02/40/823490240.db2.gz CXWNXMLOCALYHF-DHIUTWEWSA-N 1 0 392.547 4.230 20 0 GIADRO CCOc1ccc(C(=O)N2CCC([NH2+]Cc3cccc(Cl)c3F)CC2)cc1 ZINC000177559374 823490923 /nfs/dbraw/zinc/49/09/23/823490923.db2.gz ALCVEMAOJUCDGA-UHFFFAOYSA-N 1 0 390.886 4.272 20 0 GIADRO CC[C@H](CNC(=O)N(Cc1ccc(F)cc1)C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000059308500 823491144 /nfs/dbraw/zinc/49/11/44/823491144.db2.gz PAEJIFOIWKONEE-JOCHJYFZSA-N 1 0 395.522 4.337 20 0 GIADRO Cn1nccc1C[NH2+][C@](C)(Cc1cccc(Br)c1)c1ccccc1 ZINC000177561152 823491481 /nfs/dbraw/zinc/49/14/81/823491481.db2.gz UZSOWQVQQGFOKB-HXUWFJFHSA-N 1 0 384.321 4.430 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NC2CCC(C)CC2)cc1Br ZINC000030509857 820627269 /nfs/dbraw/zinc/62/72/69/820627269.db2.gz OPZOWZPOYKUGRT-IQXANGCESA-N 1 0 397.357 4.192 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(COCc2ccco2)c1)C(=O)Nc1cccnc1Cl ZINC000030511221 820627957 /nfs/dbraw/zinc/62/79/57/820627957.db2.gz DLDYQFHESCGJII-OAHLLOKOSA-N 1 0 399.878 4.162 20 0 GIADRO O=C(NCCc1csc(-c2ccccc2)n1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000177577995 823495117 /nfs/dbraw/zinc/49/51/17/823495117.db2.gz PIOZFZRCGSOMGL-GOSISDBHSA-N 1 0 383.561 4.123 20 0 GIADRO CO[C@H](C)c1nc(COc2ccc(OCC[NH+]3CCCCC3)cc2)cs1 ZINC000177564294 823492182 /nfs/dbraw/zinc/49/21/82/823492182.db2.gz IXNAEFVIZLINST-MRXNPFEDSA-N 1 0 376.522 4.294 20 0 GIADRO CCCc1nc(C)c(C(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)o1 ZINC000573430679 823492192 /nfs/dbraw/zinc/49/21/92/823492192.db2.gz SDNGVOBIDCURQX-UHFFFAOYSA-N 1 0 389.927 4.327 20 0 GIADRO COc1cc([C@@H](C)[NH2+]C[C@H](O)COc2cc(C)ccc2C)ccc1OC(C)C ZINC000030533690 820634105 /nfs/dbraw/zinc/63/41/05/820634105.db2.gz DPMDRDJJZGZMCO-QUCCMNQESA-N 1 0 387.520 4.190 20 0 GIADRO CCS[C@@H]1CC[C@@H]([N@H+](C)CCC(=O)Nc2ccccc2Br)C1 ZINC000411298222 823562978 /nfs/dbraw/zinc/56/29/78/823562978.db2.gz NHDZUEDYGPVYBX-ZIAGYGMSSA-N 1 0 385.371 4.384 20 0 GIADRO COc1ccc(C[NH2+]C[C@@H](c2ccccc2)N(C)C)cc1OCc1cccnc1 ZINC000030545044 820637147 /nfs/dbraw/zinc/63/71/47/820637147.db2.gz OEIFOCXSADFOHF-QFIPXVFZSA-N 1 0 391.515 4.062 20 0 GIADRO COc1cccc([C@H](C[NH2+]Cc2sc3nc(C)nc(C)c3c2C)N(C)C)c1 ZINC000030543727 820637206 /nfs/dbraw/zinc/63/72/06/820637206.db2.gz CKACEQSWGKGLJS-SFHVURJKSA-N 1 0 384.549 4.018 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)cc1 ZINC000030547097 820637807 /nfs/dbraw/zinc/63/78/07/820637807.db2.gz MCICUKUTDNJJAP-QHCPKHFHSA-N 1 0 396.531 4.016 20 0 GIADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cccnc2SCc2ccc(F)cc2)C1 ZINC000177577762 823495206 /nfs/dbraw/zinc/49/52/06/823495206.db2.gz LGYOYFYRNJKASQ-QZTJIDSGSA-N 1 0 387.524 4.116 20 0 GIADRO Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000573464990 823492941 /nfs/dbraw/zinc/49/29/41/823492941.db2.gz JWSPWNBMCLQDEW-UGKGYDQZSA-N 1 0 383.561 4.125 20 0 GIADRO C[C@H](C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1)n1cnc2ccccc21 ZINC000030606693 820649572 /nfs/dbraw/zinc/64/95/72/820649572.db2.gz ZCFMKYCXPVEGFO-LJQANCHMSA-N 1 0 390.531 4.146 20 0 GIADRO FC(F)(F)COc1ccc(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)cc1 ZINC000177581736 823495730 /nfs/dbraw/zinc/49/57/30/823495730.db2.gz LWBSIXRTZPOIIC-LJQANCHMSA-N 1 0 387.442 4.178 20 0 GIADRO Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)Nc2ccc(C[NH+](C)C)cc2)cc1 ZINC000030646791 820657955 /nfs/dbraw/zinc/65/79/55/820657955.db2.gz KYRATSACBJLPHX-UHFFFAOYSA-N 1 0 395.532 4.007 20 0 GIADRO CC[C@@H]([NH2+]Cc1cc(Cl)c(OCC(N)=O)c(OC)c1)c1ccc(Cl)cc1 ZINC000030655967 820659082 /nfs/dbraw/zinc/65/90/82/820659082.db2.gz YGIOKYNKLXAVSO-MRXNPFEDSA-N 1 0 397.302 4.107 20 0 GIADRO Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]CCc1cn2ccccc2n1 ZINC000030661815 820660709 /nfs/dbraw/zinc/66/07/09/820660709.db2.gz YOBYATHUCXKBNV-UHFFFAOYSA-N 1 0 393.922 4.182 20 0 GIADRO C[NH+](C)CCOc1ccc(CNC(=O)CCc2ccc(C(C)(C)C)cc2)cc1 ZINC000059420018 823495910 /nfs/dbraw/zinc/49/59/10/823495910.db2.gz WXMCQGFNXBVORL-UHFFFAOYSA-N 1 0 382.548 4.174 20 0 GIADRO Cc1ccc(OCc2nc(CC(=O)Nc3ccc(C[NH+](C)C)cc3)cs2)cc1 ZINC000030772504 820680334 /nfs/dbraw/zinc/68/03/34/820680334.db2.gz FJJQWWFWUCENIS-UHFFFAOYSA-N 1 0 395.528 4.273 20 0 GIADRO Cc1nc(COc2ccccc2C(=O)Nc2ccc(C[NH+](C)C)cc2)cs1 ZINC000030773800 820681124 /nfs/dbraw/zinc/68/11/24/820681124.db2.gz WGXSRVRUFATUCK-UHFFFAOYSA-N 1 0 381.501 4.344 20 0 GIADRO CSc1cccc(N(C(=O)c2csc(C(C)=O)c2)C2CC[NH+](C)CC2)c1 ZINC000410466287 823497475 /nfs/dbraw/zinc/49/74/75/823497475.db2.gz IAAXVPMYBGGICU-UHFFFAOYSA-N 1 0 388.558 4.414 20 0 GIADRO CC(C)(C)OC(=O)NC(C)(C)C[NH2+]Cc1ccccc1OCc1cccnc1 ZINC000177591266 823497786 /nfs/dbraw/zinc/49/77/86/823497786.db2.gz CBIACTIGGLAEED-UHFFFAOYSA-N 1 0 385.508 4.054 20 0 GIADRO CO[C@@H]1CCCC[C@H]1C(=O)N(c1cccc(SC)c1)C1CC[NH+](C)CC1 ZINC000410473168 823497952 /nfs/dbraw/zinc/49/79/52/823497952.db2.gz UZQUKNDNRGDBLN-WOJBJXKFSA-N 1 0 376.566 4.041 20 0 GIADRO Cc1cc(C[NH2+]Cc2cccnc2-n2ccnc2)cc(C)c1OCc1ccccn1 ZINC000030902326 820706079 /nfs/dbraw/zinc/70/60/79/820706079.db2.gz STLPVZDTIPVYOO-UHFFFAOYSA-N 1 0 399.498 4.148 20 0 GIADRO Brc1ccc(-c2ccc(CNC[C@@H]3CC[N@@H+](C4CC4)C3)o2)cc1 ZINC000030907067 820706147 /nfs/dbraw/zinc/70/61/47/820706147.db2.gz QJDWTHDPDHZQET-AWEZNQCLSA-N 1 0 375.310 4.283 20 0 GIADRO c1nn(Cc2ccccc2)cc1C[NH2+]Cc1ccccc1OCc1cccnc1 ZINC000030907614 820706940 /nfs/dbraw/zinc/70/69/40/820706940.db2.gz CWAKQORETUMQPP-UHFFFAOYSA-N 1 0 384.483 4.195 20 0 GIADRO COc1cc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c(OC)cc1Cl ZINC000030942649 820710488 /nfs/dbraw/zinc/71/04/88/820710488.db2.gz LAAIRWDJAIOHTK-INIZCTEOSA-N 1 0 388.895 4.208 20 0 GIADRO CC(C)c1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)cc1 ZINC000030958308 820711578 /nfs/dbraw/zinc/71/15/78/820711578.db2.gz VHBATUNYPHYZKP-IBGZPJMESA-N 1 0 395.547 4.106 20 0 GIADRO CCOC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(C)C ZINC000189810120 823499219 /nfs/dbraw/zinc/49/92/19/823499219.db2.gz VMDMGHSADGKGNV-XHDPSFHLSA-N 1 0 380.838 4.337 20 0 GIADRO COc1cccc([C@@H](C)CC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000177629173 823504255 /nfs/dbraw/zinc/50/42/55/823504255.db2.gz UEHMSBWZVWIHKZ-ZWKOTPCHSA-N 1 0 386.561 4.279 20 0 GIADRO CC[C@@H](NC(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1ccccc1OC ZINC000031124773 820747010 /nfs/dbraw/zinc/74/70/10/820747010.db2.gz TUTIGVCLQZUBEQ-OAQYLSRUSA-N 1 0 381.520 4.242 20 0 GIADRO C[C@H]1C[C@@H](N(C)Cc2coc(-c3ccc(Br)cc3)n2)CC[N@@H+]1C ZINC000123393119 823504887 /nfs/dbraw/zinc/50/48/87/823504887.db2.gz VISZRXVLMUBBJR-GUYCJALGSA-N 1 0 378.314 4.019 20 0 GIADRO Cc1nc(C(=O)Nc2cc(C[NH+]3CCCC3)ccc2C)c(Br)s1 ZINC000410589331 823505472 /nfs/dbraw/zinc/50/54/72/823505472.db2.gz LIXPRNZNMJXMNP-UHFFFAOYSA-N 1 0 394.338 4.371 20 0 GIADRO Cc1ccc(CC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1Br ZINC000189855322 823506462 /nfs/dbraw/zinc/50/64/62/823506462.db2.gz ZEWRYQVQDUUTQE-RDJZCZTQSA-N 1 0 393.369 4.069 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)NCc2nc(C3CC3)cs2)CC[N@@H+]1Cc1ccccc1 ZINC000123399271 823505695 /nfs/dbraw/zinc/50/56/95/823505695.db2.gz KJSDQYOTAGYUFK-QFBILLFUSA-N 1 0 398.576 4.215 20 0 GIADRO Cc1ccc(-c2nc(C(=O)NC[C@@H](c3ccccc3)[NH+]3CCCC3)cs2)o1 ZINC000031210827 820770138 /nfs/dbraw/zinc/77/01/38/820770138.db2.gz QJJNTFFHWJXRGM-SFHVURJKSA-N 1 0 381.501 4.278 20 0 GIADRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1cc2c(cccc2OC(F)F)[nH]1 ZINC000031210806 820770268 /nfs/dbraw/zinc/77/02/68/820770268.db2.gz BZZZSLPRVZZCAO-LJQANCHMSA-N 1 0 399.441 4.336 20 0 GIADRO Cc1cccc2nc(C3CC[NH+](CC(=O)N([C@H](C)C4CC4)C4CC4)CC3)oc21 ZINC000189816741 823501322 /nfs/dbraw/zinc/50/13/22/823501322.db2.gz IZIPSSHMUXNVLW-MRXNPFEDSA-N 1 0 381.520 4.105 20 0 GIADRO c1ccc(Oc2cccnc2)c(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)c1 ZINC000177614837 823501672 /nfs/dbraw/zinc/50/16/72/823501672.db2.gz IVYBIZONFJGZIJ-QFIPXVFZSA-N 1 0 382.504 4.424 20 0 GIADRO Cc1ccc(C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cc1NC(=O)c1ccco1 ZINC000059890580 823501925 /nfs/dbraw/zinc/50/19/25/823501925.db2.gz RKTKIGAERKFMIQ-WAIKUNEKSA-N 1 0 397.519 4.081 20 0 GIADRO C[C@@H]1CCC[C@](CNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)([NH+](C)C)C1 ZINC000059891334 823502012 /nfs/dbraw/zinc/50/20/12/823502012.db2.gz OCBNJHZKBBIHCA-KOSHJBKYSA-N 1 0 393.531 4.179 20 0 GIADRO COc1cccc(OC)c1Oc1ccc(C[NH2+]Cc2sc(C)nc2C)cn1 ZINC000123365429 823502158 /nfs/dbraw/zinc/50/21/58/823502158.db2.gz VHZRUZUMPMIZIF-UHFFFAOYSA-N 1 0 385.489 4.254 20 0 GIADRO Cc1ccc(-c2ocnc2C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)cc1 ZINC000460744246 823502412 /nfs/dbraw/zinc/50/24/12/823502412.db2.gz ZJSXYDHIZNQEGN-UHFFFAOYSA-N 1 0 377.488 4.420 20 0 GIADRO COc1ccc(C[N@H+](Cc2cn3cccnc3n2)C2CCCCC2)cc1OC ZINC000123372604 823502692 /nfs/dbraw/zinc/50/26/92/823502692.db2.gz CXAVYCVAOWMKRG-UHFFFAOYSA-N 1 0 380.492 4.081 20 0 GIADRO Cc1ccc(-c2nc(C)c(C(=O)NCCC[N@@H+]3CCc4ccccc4C3)s2)o1 ZINC000031368720 820798667 /nfs/dbraw/zinc/79/86/67/820798667.db2.gz KCDUBUMGFGMKNZ-UHFFFAOYSA-N 1 0 395.528 4.198 20 0 GIADRO CC[NH+](CC)CCN(C(=O)c1ccc(C)nc1)c1cccc(Br)c1 ZINC000059935178 823503287 /nfs/dbraw/zinc/50/32/87/823503287.db2.gz HVQJEGRYTRBCRW-UHFFFAOYSA-N 1 0 390.325 4.141 20 0 GIADRO NC(=O)c1cccc(C[NH2+][C@H](CC2CC2)c2cc(F)cc(Br)c2)c1 ZINC000189900872 823511734 /nfs/dbraw/zinc/51/17/34/823511734.db2.gz TYJUVVHFRLRDFD-GOSISDBHSA-N 1 0 391.284 4.318 20 0 GIADRO C[C@H]1C[C@H](CCNC(=O)c2scnc2C(F)(F)F)C[N@@H+]1Cc1ccccc1 ZINC000410617306 823506683 /nfs/dbraw/zinc/50/66/83/823506683.db2.gz WTMSCGFMCHYABZ-ZFWWWQNUSA-N 1 0 397.466 4.192 20 0 GIADRO CC[NH+](CC)CCN(C(=O)c1c(C)noc1C)c1cccc(Br)c1 ZINC000060083113 823506916 /nfs/dbraw/zinc/50/69/16/823506916.db2.gz QZSXFVJAXXKTTB-UHFFFAOYSA-N 1 0 394.313 4.043 20 0 GIADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2OCc2ccc(F)cc2)C1 ZINC000060207405 823511884 /nfs/dbraw/zinc/51/18/84/823511884.db2.gz CENBVRBPZWCBSF-IBGZPJMESA-N 1 0 384.495 4.255 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)CCCc2ccc(Br)s2)c1 ZINC000123420602 823507552 /nfs/dbraw/zinc/50/75/52/823507552.db2.gz DWSYPFGBQHYYCI-UHFFFAOYSA-N 1 0 395.366 4.211 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)c1 ZINC000123423326 823507808 /nfs/dbraw/zinc/50/78/08/823507808.db2.gz BXKHMONKYSXVGM-MSOLQXFVSA-N 1 0 376.422 4.187 20 0 GIADRO Cc1nc2ccccc2c(C)c1CC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000031566515 820827390 /nfs/dbraw/zinc/82/73/90/820827390.db2.gz VIYWFOPHLZOFKE-NRFANRHFSA-N 1 0 387.527 4.175 20 0 GIADRO C[C@H](NC(=O)N1CC[C@H](C(F)(F)F)C(C)(C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000189866759 823508013 /nfs/dbraw/zinc/50/80/13/823508013.db2.gz NVRGWQOUDPUEDX-UXLLHSPISA-N 1 0 389.506 4.259 20 0 GIADRO CC(=O)N[C@H](CC(=O)Nc1cccc(C[NH+]2CCCCC2)c1)c1ccc(C)cc1 ZINC000031620172 820835026 /nfs/dbraw/zinc/83/50/26/820835026.db2.gz BVANUHLWWQLXDA-HSZRJFAPSA-N 1 0 393.531 4.187 20 0 GIADRO COc1cn(-c2ccccc2)nc1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000031620772 820835390 /nfs/dbraw/zinc/83/53/90/820835390.db2.gz SNTADQXODRTWII-UHFFFAOYSA-N 1 0 390.487 4.119 20 0 GIADRO COc1ccc(CCC(=O)Nc2cccc(C[NH+]3CCCCC3)c2)cc1OC ZINC000031621445 820835820 /nfs/dbraw/zinc/83/58/20/820835820.db2.gz WCXZBMFHNLYJCX-UHFFFAOYSA-N 1 0 382.504 4.261 20 0 GIADRO C[C@H](C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)s1 ZINC000177656559 823508666 /nfs/dbraw/zinc/50/86/66/823508666.db2.gz VJCNHCKTSMWQFI-RDJZCZTQSA-N 1 0 376.953 4.486 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2CCN(c3cccc(Cl)c3)C2=O)c1 ZINC000460780024 823510348 /nfs/dbraw/zinc/51/03/48/823510348.db2.gz QAZZYUBIKNTMSU-FQEVSTJZSA-N 1 0 399.922 4.173 20 0 GIADRO C[C@@H](Oc1cccc(Cl)c1)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000060159615 823510640 /nfs/dbraw/zinc/51/06/40/823510640.db2.gz YYKIVSOYGOFDAP-IEBWSBKVSA-N 1 0 386.923 4.136 20 0 GIADRO COc1ccc([C@@H](CNC(=O)c2nccc3ccccc32)[NH+]2CCCCC2)cc1 ZINC000060200864 823511461 /nfs/dbraw/zinc/51/14/61/823511461.db2.gz MABVGUUMKRJQHY-JOCHJYFZSA-N 1 0 389.499 4.200 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1cc(-c2ccccc2F)on1)c1ccsc1 ZINC000031983278 820883212 /nfs/dbraw/zinc/88/32/12/820883212.db2.gz HGDBQSNMASLXBP-GOSISDBHSA-N 1 0 387.480 4.355 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(NC(=O)C(C)C)cc1)c1ccsc1 ZINC000031983612 820883369 /nfs/dbraw/zinc/88/33/69/820883369.db2.gz YOCHGZAGIUXORL-LJQANCHMSA-N 1 0 387.549 4.156 20 0 GIADRO C/C(=C\c1ccc(F)cc1)C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000177672194 823511527 /nfs/dbraw/zinc/51/15/27/823511527.db2.gz QYMDCIBCKNCLET-GHRIWEEISA-N 1 0 382.479 4.072 20 0 GIADRO Cc1occc1C(=O)Nc1ccc(C[NH+]2CCN(c3cccc(C)c3)CC2)cc1 ZINC000032018729 820888517 /nfs/dbraw/zinc/88/85/17/820888517.db2.gz JNNLQKWYIHRIBG-UHFFFAOYSA-N 1 0 389.499 4.471 20 0 GIADRO COc1cc(C[NH2+]C[C@H](C)C[C@@H](C)O)ccc1OCc1ccc(Cl)cc1 ZINC000123478981 823513107 /nfs/dbraw/zinc/51/31/07/823513107.db2.gz CTPYAVVJQHDMER-HZPDHXFCSA-N 1 0 377.912 4.424 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC1([C@H](O)c2ccccc2)CC1)CC3 ZINC000123490418 823514151 /nfs/dbraw/zinc/51/41/51/823514151.db2.gz KUOHQYXZECHWON-GAJHUEQPSA-N 1 0 376.500 4.137 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1cc(F)cc(Br)c1 ZINC000177705092 823514945 /nfs/dbraw/zinc/51/49/45/823514945.db2.gz HXMOZXWRPAQAQM-UHFFFAOYSA-N 1 0 393.300 4.312 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(-c2cccc(Cl)c2)no1)c1ccco1 ZINC000060319146 823515259 /nfs/dbraw/zinc/51/52/59/823515259.db2.gz JPGXYFVGGDVKST-KRWDZBQOSA-N 1 0 387.867 4.401 20 0 GIADRO O=C(Cc1coc2cc3c(cc12)CCC3)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000032399423 820933814 /nfs/dbraw/zinc/93/38/14/820933814.db2.gz FOQQLCWEGLJBJP-UHFFFAOYSA-N 1 0 388.511 4.029 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1cc(F)ccc1Br ZINC000032463418 820949997 /nfs/dbraw/zinc/94/99/97/820949997.db2.gz FIKOLOJFBNTAMF-UHFFFAOYSA-N 1 0 391.284 4.114 20 0 GIADRO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000032483745 820957634 /nfs/dbraw/zinc/95/76/34/820957634.db2.gz WRMQLJLFNXQXQC-BLLLJJGKSA-N 1 0 399.293 4.319 20 0 GIADRO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000032486023 820957823 /nfs/dbraw/zinc/95/78/23/820957823.db2.gz YVLDMLDYBONGDA-WCQYABFASA-N 1 0 387.332 4.241 20 0 GIADRO CSc1ccccc1NC(=O)CC[N@H+](C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000177723597 823517095 /nfs/dbraw/zinc/51/70/95/823517095.db2.gz OTEXOIXPMGQTCD-HAWMADMCSA-N 1 0 390.574 4.168 20 0 GIADRO CCCc1cccc(C(C)C)c1NC(=O)NC[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC000189963883 823518528 /nfs/dbraw/zinc/51/85/28/823518528.db2.gz GHKRTQJJLFKADX-LJQANCHMSA-N 1 0 388.600 4.158 20 0 GIADRO Cc1ccc([C@H](CNC(=O)COc2ccc(Cl)c(Cl)c2)[NH+]2CCCC2)o1 ZINC000060355068 823518847 /nfs/dbraw/zinc/51/88/47/823518847.db2.gz VWWXTDVKLHHXAT-KRWDZBQOSA-N 1 0 397.302 4.227 20 0 GIADRO COc1cccc([C@H](CNC(=O)[C@@H]2CCSc3ccccc32)[NH+]2CCCC2)c1 ZINC000460811702 823519324 /nfs/dbraw/zinc/51/93/24/823519324.db2.gz MAVZQKDFILWTFG-RTWAWAEBSA-N 1 0 396.556 4.228 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cccc(COc2cccc(F)c2)c1 ZINC000177745564 823519810 /nfs/dbraw/zinc/51/98/10/823519810.db2.gz MKGMXFHFAHSEDG-RTWAWAEBSA-N 1 0 397.494 4.495 20 0 GIADRO Cc1nc([C@H]2CCCN2C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cs1 ZINC000189974524 823519962 /nfs/dbraw/zinc/51/99/62/823519962.db2.gz ZRCGQGOBXWYZDT-SJORKVTESA-N 1 0 390.578 4.197 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1cc(-c2ccccc2Cl)on1)c1cccc(F)c1 ZINC000032731798 820999559 /nfs/dbraw/zinc/99/95/59/820999559.db2.gz VIYSIBDMBGTBAD-GOSISDBHSA-N 1 0 387.842 4.167 20 0 GIADRO CCc1ccc([C@@H](CNC(=O)c2ccc(Br)s2)[NH+](C)C)cc1 ZINC000032732802 820999667 /nfs/dbraw/zinc/99/96/67/820999667.db2.gz IEWGFHOUJMTVIN-CQSZACIVSA-N 1 0 381.339 4.106 20 0 GIADRO CCc1ccc([C@H](CNC(=O)c2cc3cc(OC)ccc3nc2C)[NH+](C)C)cc1 ZINC000032734138 821000195 /nfs/dbraw/zinc/00/01/95/821000195.db2.gz QBICUPABRVUPHO-QHCPKHFHSA-N 1 0 391.515 4.147 20 0 GIADRO CCc1ccc([C@@H](CNC(=O)c2c(C)onc2-c2ccccc2)[NH+](C)C)cc1 ZINC000032733711 821000344 /nfs/dbraw/zinc/00/03/44/821000344.db2.gz BXWNQQIRASYOCF-HXUWFJFHSA-N 1 0 377.488 4.245 20 0 GIADRO CCc1ccc([C@H](CNC(=O)c2cnn(-c3ccc(C)cc3)c2C)[NH+](C)C)cc1 ZINC000032734758 821000901 /nfs/dbraw/zinc/00/09/01/821000901.db2.gz IPOWIXHJTZMFEI-QHCPKHFHSA-N 1 0 390.531 4.084 20 0 GIADRO CCc1ccc([C@H](CNC(=O)/C=C/c2ccc(Br)o2)[NH+](C)C)cc1 ZINC000032735553 821001035 /nfs/dbraw/zinc/00/10/35/821001035.db2.gz CVFWMIVBLYXSRO-JICACKBISA-N 1 0 391.309 4.037 20 0 GIADRO CCOc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1ccc(N3CCOC3=O)cc1)CCO2 ZINC000177752316 823520612 /nfs/dbraw/zinc/52/06/12/823520612.db2.gz CTTCCXWXTCCDDE-MGPUTAFESA-N 1 0 382.460 4.216 20 0 GIADRO Cc1nc(Cc2ccc(F)cc2)sc1C(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000032737635 821001846 /nfs/dbraw/zinc/00/18/46/821001846.db2.gz XKWYCAKZAGPEMU-GJZGRUSLSA-N 1 0 389.540 4.174 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)c1ccc(F)c(F)c1)c1ccc(OCC(F)(F)F)cc1 ZINC000177753445 823520788 /nfs/dbraw/zinc/52/07/88/823520788.db2.gz IDMQAMXHWHABLI-GTNSWQLSSA-N 1 0 375.337 4.290 20 0 GIADRO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)Cc1coc2ccccc12 ZINC000189981767 823521298 /nfs/dbraw/zinc/52/12/98/823521298.db2.gz DCLDETNKJRJTEM-INIZCTEOSA-N 1 0 384.501 4.166 20 0 GIADRO Cc1ccc(C(=O)C(C(=S)NC2CC2)[n+]2ccc3c(c2)CCCC3)cc1C ZINC000032813805 821010881 /nfs/dbraw/zinc/01/08/81/821010881.db2.gz LOORNDBLLKMHED-UHFFFAOYSA-O 1 0 379.549 4.161 20 0 GIADRO COc1cccc([C@H](CNC(=O)[C@@H](C)c2ccc(F)c(F)c2)[NH+]2CCCC2)c1 ZINC000460819731 823521457 /nfs/dbraw/zinc/52/14/57/823521457.db2.gz SOQNDWWMEZOVEX-BTYIYWSLSA-N 1 0 388.458 4.030 20 0 GIADRO O=C(c1csc(Cc2ccccc2)n1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000032833553 821012307 /nfs/dbraw/zinc/01/23/07/821012307.db2.gz NASQRRJSSBNDPL-UHFFFAOYSA-N 1 0 391.540 4.082 20 0 GIADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)CSc2ccccc2)CC1 ZINC000032897533 821018285 /nfs/dbraw/zinc/01/82/85/821018285.db2.gz QIGMLOHATAWRID-UHFFFAOYSA-N 1 0 389.952 4.213 20 0 GIADRO C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)N1CCC(CCC[NH+](C)C)CC1 ZINC000123566502 823522035 /nfs/dbraw/zinc/52/20/35/823522035.db2.gz GMVDACFQOLAPKF-INIZCTEOSA-N 1 0 390.959 4.429 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)Nc2cccc(C(=O)OC)c2Cl)cc1)C1CC1 ZINC000410952675 823523997 /nfs/dbraw/zinc/52/39/97/823523997.db2.gz JHQLQCYAQMFBEM-UHFFFAOYSA-N 1 0 386.879 4.363 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)Cc2sc(C)nc2-c2ccc(C)cc2)CC1 ZINC000060404389 823524010 /nfs/dbraw/zinc/52/40/10/823524010.db2.gz PSAJLSMOQOFXQL-UHFFFAOYSA-N 1 0 385.577 4.302 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)COc2ccccc2Cc2ccccc2)c1 ZINC000033083881 821031578 /nfs/dbraw/zinc/03/15/78/821031578.db2.gz NFYXONVTBLEXGZ-UHFFFAOYSA-N 1 0 388.511 4.034 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)COc2ccc(Cl)c3ccccc23)c1 ZINC000033084533 821032169 /nfs/dbraw/zinc/03/21/69/821032169.db2.gz DQKOXMVEFFORAT-UHFFFAOYSA-N 1 0 382.891 4.250 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)CC1 ZINC000060404383 823524099 /nfs/dbraw/zinc/52/40/99/823524099.db2.gz OBAJEWZRJVYLQZ-UHFFFAOYSA-N 1 0 398.551 4.125 20 0 GIADRO CN1CC[N@H+](CCCNC(=O)c2csc3ccccc23)[C@@H](c2ccccc2)C1 ZINC000033135852 821037183 /nfs/dbraw/zinc/03/71/83/821037183.db2.gz VUAWKUUOAPFISR-OAQYLSRUSA-N 1 0 393.556 4.010 20 0 GIADRO Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C[NH2+]CC1(CCO)CC1 ZINC000189996524 823523482 /nfs/dbraw/zinc/52/34/82/823523482.db2.gz AGFGIXCKOXQVIY-UHFFFAOYSA-N 1 0 387.833 4.105 20 0 GIADRO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000033221134 821050558 /nfs/dbraw/zinc/05/05/58/821050558.db2.gz PWTYVYWXSLMSNS-ZDUSSCGKSA-N 1 0 381.303 4.139 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc(C(F)(F)F)n2)[C@@H]1c1cccs1 ZINC000123631522 823527890 /nfs/dbraw/zinc/52/78/90/823527890.db2.gz HTMRARDLJMVGGE-MLGOLLRUSA-N 1 0 398.454 4.367 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1cnccc1C)c1ccc(C(F)(F)F)cc1 ZINC000460851149 823528350 /nfs/dbraw/zinc/52/83/50/823528350.db2.gz AWARNZMOQISTIE-SFHVURJKSA-N 1 0 379.426 4.222 20 0 GIADRO COc1cccc(C[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccccc2)c1OC ZINC000035718658 821066541 /nfs/dbraw/zinc/06/65/41/821066541.db2.gz RVSFQJKEIKRFEK-JOCHJYFZSA-N 1 0 377.484 4.440 20 0 GIADRO CC(C)c1cccc(C(C)C)c1NC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000190034334 823528816 /nfs/dbraw/zinc/52/88/16/823528816.db2.gz CUQHRZJJTKJTMU-KRWDZBQOSA-N 1 0 375.557 4.242 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000177811196 823528832 /nfs/dbraw/zinc/52/88/32/823528832.db2.gz AEQDTPHMQDTAGI-RTWAWAEBSA-N 1 0 392.503 4.029 20 0 GIADRO O=C(Cc1csc(-c2ccccc2)n1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000036063097 821067840 /nfs/dbraw/zinc/06/78/40/821067840.db2.gz PACIMJXAJBHXGN-OAQYLSRUSA-N 1 0 391.540 4.306 20 0 GIADRO O=C(Cc1ccc(Cl)cc1Cl)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000036659947 821074411 /nfs/dbraw/zinc/07/44/11/821074411.db2.gz XWLUBJVCOXBNQF-IBGZPJMESA-N 1 0 377.315 4.489 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)c1ccccc1 ZINC000036692793 821076206 /nfs/dbraw/zinc/07/62/06/821076206.db2.gz WPNDXAWJTFZJRG-GOTSBHOMSA-N 1 0 396.531 4.057 20 0 GIADRO FC(F)(F)Oc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(Cn3cncn3)cc1)CC2 ZINC000177778104 823524911 /nfs/dbraw/zinc/52/49/11/823524911.db2.gz JMCFOPHGVPFQBY-LJQANCHMSA-N 1 0 388.393 4.002 20 0 GIADRO COc1cccc(C[NH2+]Cc2ccc(Br)s2)c1OC(F)F ZINC000037985155 821094076 /nfs/dbraw/zinc/09/40/76/821094076.db2.gz UCONWTXMUBSAMZ-UHFFFAOYSA-N 1 0 378.238 4.410 20 0 GIADRO O[C@H](C[NH2+]Cc1ccc(Br)s1)c1ccc(C(F)(F)F)cc1 ZINC000037998529 821094225 /nfs/dbraw/zinc/09/42/25/821094225.db2.gz HGLHVNFAYHJFOA-GFCCVEGCSA-N 1 0 380.229 4.353 20 0 GIADRO O=C(Nc1cccc(F)c1)C1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000038851045 821101056 /nfs/dbraw/zinc/10/10/56/821101056.db2.gz LCCNIYNDQBWLAS-UHFFFAOYSA-N 1 0 391.284 4.439 20 0 GIADRO C[C@@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)c1cccc(OC(F)(F)F)c1 ZINC000177791805 823526658 /nfs/dbraw/zinc/52/66/58/823526658.db2.gz JCXJMWILZPPZRQ-CQSZACIVSA-N 1 0 399.457 4.352 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)c2cccc(NC(=O)C3CCCCC3)c2)CC1 ZINC000039563758 821115937 /nfs/dbraw/zinc/11/59/37/821115937.db2.gz XXMYRUVOPCYDAR-UHFFFAOYSA-N 1 0 399.579 4.398 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(C)cc1OCC(F)(F)F ZINC000177797853 823527275 /nfs/dbraw/zinc/52/72/75/823527275.db2.gz QKPNDLUUTNPYIU-CABCVRRESA-N 1 0 385.430 4.027 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]C[C@@H](O)COc1ccccc1 ZINC000177797039 823527297 /nfs/dbraw/zinc/52/72/97/823527297.db2.gz JUERNBYQTOEVDR-RDTXWAMCSA-N 1 0 386.492 4.348 20 0 GIADRO Cc1ncc(CN2CCN(Cc3cnc(C)s3)C3(CCCCC3)C2)s1 ZINC000177820877 823530549 /nfs/dbraw/zinc/53/05/49/823530549.db2.gz CYJYYFLYHLJWBU-UHFFFAOYSA-N 1 0 376.595 4.237 20 0 GIADRO CCSc1cc(Cl)ccc1C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC000460860517 823530850 /nfs/dbraw/zinc/53/08/50/823530850.db2.gz QSVLFGUTLWQQKT-SFHVURJKSA-N 1 0 392.952 4.493 20 0 GIADRO Cc1noc(C)c1C[C@@H](C)NC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000123680299 823531166 /nfs/dbraw/zinc/53/11/66/823531166.db2.gz LZGGDDISCQKIRW-SJORKVTESA-N 1 0 398.551 4.096 20 0 GIADRO c1sc(COc2ccccc2)nc1CN1CC[NH+](CCc2ccccc2)CC1 ZINC000060466489 823531240 /nfs/dbraw/zinc/53/12/40/823531240.db2.gz TUESUHXMVOMFQP-UHFFFAOYSA-N 1 0 393.556 4.082 20 0 GIADRO C[C@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)c1cccc(OC(F)(F)F)c1 ZINC000177824438 823531446 /nfs/dbraw/zinc/53/14/46/823531446.db2.gz WKJGLGVSYAJWFP-ZDUSSCGKSA-N 1 0 382.382 4.134 20 0 GIADRO CCS[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000190060753 823532329 /nfs/dbraw/zinc/53/23/29/823532329.db2.gz LUHRBCLGBXZUNV-IVZWLZJFSA-N 1 0 396.425 4.363 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)C1 ZINC000177846472 823535576 /nfs/dbraw/zinc/53/55/76/823535576.db2.gz TZUUNFNEJFJKTA-GOSISDBHSA-N 1 0 385.483 4.101 20 0 GIADRO COc1ccc(COC[C@@H](O)C[N@H+]([C@@H](C)c2ccccc2Cl)C2CC2)cc1 ZINC000060478013 823532547 /nfs/dbraw/zinc/53/25/47/823532547.db2.gz YEUSXVCPJLFVMO-LPHOPBHVSA-N 1 0 389.923 4.452 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)CCc1ccc(C)cc1)[NH+]1CCCCC1 ZINC000040654316 821163111 /nfs/dbraw/zinc/16/31/11/821163111.db2.gz ZKOODLYBKZXPJO-JOCHJYFZSA-N 1 0 380.532 4.280 20 0 GIADRO Cc1ccc(-c2cnc(CCC(=O)NC[C@@H](c3ccccc3)[NH+](C)C)o2)cc1 ZINC000041021035 821167266 /nfs/dbraw/zinc/16/72/66/821167266.db2.gz WNGVUUJOKOOVIT-FQEVSTJZSA-N 1 0 377.488 4.002 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cc(Br)ccc1C ZINC000460872755 823533483 /nfs/dbraw/zinc/53/34/83/823533483.db2.gz SQUAONBQQQXFPH-UHFFFAOYSA-N 1 0 389.337 4.481 20 0 GIADRO CC1CC[NH+](CCCNC(=O)CCSc2ccccc2Br)CC1 ZINC000060490211 823533976 /nfs/dbraw/zinc/53/39/76/823533976.db2.gz UMJZRKIXGZDFKE-UHFFFAOYSA-N 1 0 399.398 4.170 20 0 GIADRO COc1ccc(OC)c([C@H](C)[NH2+]Cc2ccc(NC(=O)c3ccco3)cc2)c1 ZINC000177836983 823534123 /nfs/dbraw/zinc/53/41/23/823534123.db2.gz CDYXCDQLXVWPIU-HNNXBMFYSA-N 1 0 380.444 4.400 20 0 GIADRO COc1ccc(OC)c([C@@H](C)[NH2+]Cc2ccc(NC(=O)c3ccco3)cc2)c1 ZINC000177836992 823534185 /nfs/dbraw/zinc/53/41/85/823534185.db2.gz CDYXCDQLXVWPIU-OAHLLOKOSA-N 1 0 380.444 4.400 20 0 GIADRO CCOc1ccccc1CCC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000041315011 821182523 /nfs/dbraw/zinc/18/25/23/821182523.db2.gz MYUSYXADWNXIDB-UHFFFAOYSA-N 1 0 380.532 4.061 20 0 GIADRO Cc1nc(CSc2ccc(C(=O)NCCC[N@@H+](C)C(C)C)cc2)cs1 ZINC000041318393 821183179 /nfs/dbraw/zinc/18/31/79/821183179.db2.gz AGJACTVSDXGXJH-UHFFFAOYSA-N 1 0 377.579 4.204 20 0 GIADRO CCC[NH+]1CCN(c2ccc(NC(=O)c3oc(C)cc3C)c(OCC)c2)CC1 ZINC000190078160 823534823 /nfs/dbraw/zinc/53/48/23/823534823.db2.gz CCBUOHBZRMHSBW-UHFFFAOYSA-N 1 0 385.508 4.079 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)CSc1nc2ccccc2o1)c1ccsc1 ZINC000041441186 821192782 /nfs/dbraw/zinc/19/27/82/821192782.db2.gz SRTIWGYOBLUIEB-MRXNPFEDSA-N 1 0 389.546 4.181 20 0 GIADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000177842427 823534966 /nfs/dbraw/zinc/53/49/66/823534966.db2.gz WQBVSARJLBALBX-RISCZKNCSA-N 1 0 379.888 4.418 20 0 GIADRO CCN(C(=O)N[C@@H](C[N@H+](C)Cc1ccccc1)C(C)C)[C@H]1CCOC(C)(C)C1 ZINC000460889574 823536456 /nfs/dbraw/zinc/53/64/56/823536456.db2.gz NORAKBPIIDOAFP-SFTDATJTSA-N 1 0 389.584 4.132 20 0 GIADRO C[C@H]([NH2+]C[C@H]1CCCOC1)c1ccc(Br)cc1Br ZINC000041660278 821215645 /nfs/dbraw/zinc/21/56/45/821215645.db2.gz PECPTLDDTMAXOT-WDEREUQCSA-N 1 0 377.120 4.289 20 0 GIADRO C[C@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1cc(Br)ccc1F ZINC000177858891 823537333 /nfs/dbraw/zinc/53/73/33/823537333.db2.gz UECKWXUAQXSNKI-LBPRGKRZSA-N 1 0 395.272 4.137 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=S)Nc1ccc(C(C)=O)cc1)c1ccsc1 ZINC000041746714 821222486 /nfs/dbraw/zinc/22/24/86/821222486.db2.gz CYHMBCKCWCDFSK-GOSISDBHSA-N 1 0 375.563 4.320 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(OC(F)F)c(Cl)c2)[C@H](C)C1 ZINC000177861759 823537931 /nfs/dbraw/zinc/53/79/31/823537931.db2.gz AMAGVEDNQLQUEW-RISCZKNCSA-N 1 0 375.847 4.135 20 0 GIADRO CCOc1c(Cl)cccc1CC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000190108323 823538054 /nfs/dbraw/zinc/53/80/54/823538054.db2.gz ZWHJZDSEORQPQN-NVXWUHKLSA-N 1 0 378.944 4.050 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccccc1SCC#N)c1cccc(OC)c1 ZINC000041844359 821236892 /nfs/dbraw/zinc/23/68/92/821236892.db2.gz JTWGZPVDQGMJFV-FQEVSTJZSA-N 1 0 397.544 4.124 20 0 GIADRO COCCOc1cccc(C[NH2+]C[C@@H](c2ccccc2)N2CCC(C)CC2)c1 ZINC000060527675 823538579 /nfs/dbraw/zinc/53/85/79/823538579.db2.gz KMCUEBNZHJBUAR-DEOSSOPVSA-N 1 0 382.548 4.275 20 0 GIADRO CC(C)NC(=O)CC[NH2+][C@@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21 ZINC000177868029 823538745 /nfs/dbraw/zinc/53/87/45/823538745.db2.gz FSHJHOFGJSJXTK-OAHLLOKOSA-N 1 0 377.941 4.345 20 0 GIADRO Cc1nn(C)c(Cl)c1C[NH2+]CC1(c2ccc(Br)cc2)CCC1 ZINC000060528210 823538764 /nfs/dbraw/zinc/53/87/64/823538764.db2.gz MXHUFELGSUOYSW-UHFFFAOYSA-N 1 0 382.733 4.356 20 0 GIADRO Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000177870433 823538938 /nfs/dbraw/zinc/53/89/38/823538938.db2.gz SGBGHWUYNFDYQL-CBZJRKILSA-N 1 0 381.545 4.202 20 0 GIADRO CC(C)C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccs1 ZINC000177896360 823543204 /nfs/dbraw/zinc/54/32/04/823543204.db2.gz IOCORNYRRGRUNZ-IBGZPJMESA-N 1 0 392.590 4.410 20 0 GIADRO COc1ccc(OC)c(CN(C(=O)c2cccc(C[NH+]3CCCC3)c2)C2CC2)c1 ZINC000060553083 823541475 /nfs/dbraw/zinc/54/14/75/823541475.db2.gz FRBIBTLBGFMOSD-UHFFFAOYSA-N 1 0 394.515 4.104 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)Cn1ccc(C(F)(F)F)n1)C1CCCCC1 ZINC000042012198 821253783 /nfs/dbraw/zinc/25/37/83/821253783.db2.gz QEPUWSAJLAWKBM-UHFFFAOYSA-N 1 0 394.441 4.305 20 0 GIADRO C[C@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000123774173 823539481 /nfs/dbraw/zinc/53/94/81/823539481.db2.gz KMQSVTAERIDQKA-VVLHAWIVSA-N 1 0 399.501 4.379 20 0 GIADRO CC(C)[N@H+](C)CCCNC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000042058951 821258424 /nfs/dbraw/zinc/25/84/24/821258424.db2.gz UVWRPKIIHYGRAV-UHFFFAOYSA-N 1 0 377.488 4.469 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)c1ccc(Br)cc1 ZINC000123776920 823539868 /nfs/dbraw/zinc/53/98/68/823539868.db2.gz SSGBVTGEIOTBND-OLMNPRSZSA-N 1 0 379.342 4.028 20 0 GIADRO CCCCNC(=O)c1ccc(C[NH2+][C@@H](C)c2cc(OC)c(OC)cc2C)cc1 ZINC000177876554 823539981 /nfs/dbraw/zinc/53/99/81/823539981.db2.gz NMFXGSLQQSJFGN-KRWDZBQOSA-N 1 0 384.520 4.393 20 0 GIADRO CCOc1ccc(C(=O)N(CC)[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc1OC ZINC000060543815 823540393 /nfs/dbraw/zinc/54/03/93/823540393.db2.gz VVFGSAZXDSQSHE-GHTZIAJQSA-N 1 0 396.531 4.392 20 0 GIADRO Cc1ccccc1CNC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000042132591 821272624 /nfs/dbraw/zinc/27/26/24/821272624.db2.gz DKNGDPLZLCRQNM-HKUYNNGSSA-N 1 0 377.488 4.021 20 0 GIADRO Cc1c(C(=O)Nc2ccc(CN3CC[NH+](C)CC3)cc2)sc2cccc(F)c12 ZINC000060547646 823540782 /nfs/dbraw/zinc/54/07/82/823540782.db2.gz VJPCVQWFGGYUQE-UHFFFAOYSA-N 1 0 397.519 4.349 20 0 GIADRO COc1ccc([C@@H](O)C[NH2+]Cc2cc(C)c(OCc3ccccn3)c(C)c2)cc1 ZINC000042202261 821282959 /nfs/dbraw/zinc/28/29/59/821282959.db2.gz SCQOUBMZMWLCIX-QHCPKHFHSA-N 1 0 392.499 4.109 20 0 GIADRO COc1cc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)ccn1 ZINC000042208364 821284558 /nfs/dbraw/zinc/28/45/58/821284558.db2.gz OWKHFJWHLKPICK-UHFFFAOYSA-N 1 0 388.446 4.372 20 0 GIADRO Cn1nccc1C[NH2+]Cc1ccc(OCc2ccccc2)c(Br)c1 ZINC000042228426 821288405 /nfs/dbraw/zinc/28/84/05/821288405.db2.gz APOGOFCJLILSTM-UHFFFAOYSA-N 1 0 386.293 4.051 20 0 GIADRO O=C(C[NH2+]C(c1ccccc1)c1ccccc1)NCCc1cccc2cccnc21 ZINC000042287768 821295264 /nfs/dbraw/zinc/29/52/64/821295264.db2.gz KHTRJURIGKYYGC-UHFFFAOYSA-N 1 0 395.506 4.273 20 0 GIADRO COc1ccc([C@H](CNC(=O)c2c(F)cccc2Cl)[NH+]2CCCCC2)cc1 ZINC000042369873 821305208 /nfs/dbraw/zinc/30/52/08/821305208.db2.gz BWWANIWXNNXOHY-IBGZPJMESA-N 1 0 390.886 4.445 20 0 GIADRO CCC[C@@H](C)C(=O)NCCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000042495805 821308868 /nfs/dbraw/zinc/30/88/68/821308868.db2.gz YYWMNNQAJPYZPD-QGZVFWFLSA-N 1 0 399.501 4.160 20 0 GIADRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1sc(NC(=O)C(C)(C)C)cc1C ZINC000042537769 821309663 /nfs/dbraw/zinc/30/96/63/821309663.db2.gz KOGDLBQISFMHPY-HNNXBMFYSA-N 1 0 381.586 4.281 20 0 GIADRO O[C@@H](c1ccccc1)C1CC[NH+](C[C@H](O)COc2ccc3ccccc3c2)CC1 ZINC000042634972 821316554 /nfs/dbraw/zinc/31/65/54/821316554.db2.gz ZJIJNWMAOIUOTC-ZCYQVOJMSA-N 1 0 391.511 4.025 20 0 GIADRO C[C@@H](C(=O)N1CCC[C@H]1c1cccs1)[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000042633642 821316800 /nfs/dbraw/zinc/31/68/00/821316800.db2.gz XHDWREMYDSBMDA-JXFKEZNVSA-N 1 0 384.545 4.385 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)c1ccc(-n2cccn2)nc1)C1CCCCC1 ZINC000042697428 821325040 /nfs/dbraw/zinc/32/50/40/821325040.db2.gz GCBIEPUXVZFHLM-UHFFFAOYSA-N 1 0 389.503 4.284 20 0 GIADRO CC1(C)CC(NC(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)CC(C)(C)[NH2+]1 ZINC000042908504 821344031 /nfs/dbraw/zinc/34/40/31/821344031.db2.gz NKJOODRUTZJFBO-OAHLLOKOSA-N 1 0 384.524 4.026 20 0 GIADRO COc1ccc([C@H](C)[NH2+]Cc2cccc3c2OCCO3)cc1Br ZINC000042797680 821333773 /nfs/dbraw/zinc/33/37/73/821333773.db2.gz ZWQFFQQCWZCWBW-LBPRGKRZSA-N 1 0 378.266 4.080 20 0 GIADRO COc1cccc(CO[C@H](C)C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000043041665 821356070 /nfs/dbraw/zinc/35/60/70/821356070.db2.gz OTPGDOQUECOZII-GOSISDBHSA-N 1 0 382.504 4.225 20 0 GIADRO CCCCOc1c(Cl)cc(C(=O)N(C)C2CC[NH+](CC)CC2)cc1OCC ZINC000043064699 821357830 /nfs/dbraw/zinc/35/78/30/821357830.db2.gz XUWMQGQSYALQBP-UHFFFAOYSA-N 1 0 396.959 4.474 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)Nc1ccccc1Br ZINC000043133626 821365397 /nfs/dbraw/zinc/36/53/97/821365397.db2.gz XQQPWEJNGOUEIJ-OAHLLOKOSA-N 1 0 378.270 4.001 20 0 GIADRO Cc1cccc(N2CC[NH+](CCCCNC(=O)Nc3ccccc3C)CC2)c1 ZINC000043134943 821366067 /nfs/dbraw/zinc/36/60/67/821366067.db2.gz ZZUKQGOTGQEFNA-UHFFFAOYSA-N 1 0 380.536 4.027 20 0 GIADRO Cc1cccc(N2CC[NH+](CCCCNC(=O)Nc3cccc(C)c3C)CC2)c1 ZINC000043136363 821366637 /nfs/dbraw/zinc/36/66/37/821366637.db2.gz LXJSTFWQMJAVMY-UHFFFAOYSA-N 1 0 394.563 4.336 20 0 GIADRO C[NH+](C)C1(CNC(=O)N2CCC(c3nc4ccccc4s3)CC2)CCCC1 ZINC000043147518 821368351 /nfs/dbraw/zinc/36/83/51/821368351.db2.gz CNBNSDNGRLQDIL-UHFFFAOYSA-N 1 0 386.565 4.060 20 0 GIADRO C[C@H](c1nc2ccccc2s1)N(C)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000043167287 821371828 /nfs/dbraw/zinc/37/18/28/821371828.db2.gz GNYHIEUPAALMSB-NVXWUHKLSA-N 1 0 398.532 4.429 20 0 GIADRO CC(C)n1cnnc1[C@H]1CCC[N@H+](Cc2cccc(SC(=O)N(C)C)c2)C1 ZINC000180624860 821372946 /nfs/dbraw/zinc/37/29/46/821372946.db2.gz XDFRYTONKXTURM-KRWDZBQOSA-N 1 0 387.553 4.012 20 0 GIADRO CCCN(C(=O)NC1CC[NH+](C)CC1)[C@H](C)c1ccccc1Br ZINC000043180051 821374716 /nfs/dbraw/zinc/37/47/16/821374716.db2.gz YADSQKAFURXANM-CQSZACIVSA-N 1 0 382.346 4.026 20 0 GIADRO O=C(NCc1cc(-c2ccccc2)no1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000043231308 821377441 /nfs/dbraw/zinc/37/74/41/821377441.db2.gz NWSKOSDZKKMFHT-LJQANCHMSA-N 1 0 396.516 4.039 20 0 GIADRO Cc1cccc([C@H](C)[NH2+]C2CC(C(=O)OC(C)C)(C(=O)OC(C)C)C2)c1C ZINC000180642771 821380120 /nfs/dbraw/zinc/38/01/20/821380120.db2.gz CNNRLEXGNLTJMF-KRWDZBQOSA-N 1 0 375.509 4.006 20 0 GIADRO Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000180651305 821383104 /nfs/dbraw/zinc/38/31/04/821383104.db2.gz OSSRYAXLEOBERU-LBPRGKRZSA-N 1 0 394.302 4.171 20 0 GIADRO CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@H](c1ccccc1)c1ccccn1 ZINC000043295286 821387810 /nfs/dbraw/zinc/38/78/10/821387810.db2.gz YIJVXENUSWJWPX-JOCHJYFZSA-N 1 0 382.552 4.180 20 0 GIADRO C[C@H]([NH2+]Cc1nn(-c2ccccc2)c2c1CCC2)c1cccc(-n2ccnc2)c1 ZINC000180667503 821388177 /nfs/dbraw/zinc/38/81/77/821388177.db2.gz ZQGCAVNQPWLFKJ-SFHVURJKSA-N 1 0 383.499 4.398 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@@H](c1ccccc1)c1ccccn1 ZINC000043295982 821388179 /nfs/dbraw/zinc/38/81/79/821388179.db2.gz KBXNPWZLUBEHQU-KNQAVFIVSA-N 1 0 380.536 4.125 20 0 GIADRO CCOc1cccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)c1 ZINC000180669579 821389024 /nfs/dbraw/zinc/38/90/24/821389024.db2.gz MEEXQBMWZDROLR-ZWKOTPCHSA-N 1 0 381.520 4.363 20 0 GIADRO COc1cccc([C@@H](CNC(=O)N2CCC[C@@H]2c2cccs2)[NH+]2CCCC2)c1 ZINC000043307069 821389496 /nfs/dbraw/zinc/38/94/96/821389496.db2.gz TWNDMHXFPPAFIB-WOJBJXKFSA-N 1 0 399.560 4.440 20 0 GIADRO Cc1ccc(NC(=O)NCc2cccc(C[NH+](C)C)c2)c(Br)c1 ZINC000043326059 821392193 /nfs/dbraw/zinc/39/21/93/821392193.db2.gz JWKCNRGLJXWTBH-UHFFFAOYSA-N 1 0 376.298 4.141 20 0 GIADRO C[C@H]([NH2+]CC1(c2ccccc2Cl)CCOCC1)c1ccc([S@](C)=O)cc1 ZINC000180677490 821392340 /nfs/dbraw/zinc/39/23/40/821392340.db2.gz RLAZBVKRGAKKBK-QMTYFTJSSA-N 1 0 391.964 4.476 20 0 GIADRO C[C@@H]([NH2+]CCOc1ccccc1C(F)(F)F)c1ccc(-n2cncn2)cc1 ZINC000180678136 821392615 /nfs/dbraw/zinc/39/26/15/821392615.db2.gz BUVPQSLSEPSAEQ-CQSZACIVSA-N 1 0 376.382 4.016 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+]CCOc2ccccc2C(F)(F)F)s1 ZINC000180679072 821393177 /nfs/dbraw/zinc/39/31/77/821393177.db2.gz SMFBSOABKXXHJB-GFCCVEGCSA-N 1 0 388.455 4.389 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1)c1cnn(Cc2ccccc2)c1 ZINC000180688874 821395753 /nfs/dbraw/zinc/39/57/53/821395753.db2.gz KEMWVFZGVQCTOU-YWZLYKJASA-N 1 0 389.421 4.334 20 0 GIADRO COCc1cc([C@@H](C)[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)ccc1OC ZINC000180691776 821398008 /nfs/dbraw/zinc/39/80/08/821398008.db2.gz GGIQEKPQNLZYCH-FZKQIMNGSA-N 1 0 383.410 4.245 20 0 GIADRO COc1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1)CCCO2 ZINC000180692309 821398029 /nfs/dbraw/zinc/39/80/29/821398029.db2.gz JPJWJYCXNWGKTA-ROUUACIJSA-N 1 0 381.394 4.251 20 0 GIADRO COc1ncccc1CNC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000043391090 821401226 /nfs/dbraw/zinc/40/12/26/821401226.db2.gz JCAZPQCPPFUJDG-UHFFFAOYSA-N 1 0 382.508 4.176 20 0 GIADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N(C)Cc2ccccc2)CC1 ZINC000043454882 821409950 /nfs/dbraw/zinc/40/99/50/821409950.db2.gz ZOTLGFRSHJUVIC-UHFFFAOYSA-N 1 0 386.927 4.146 20 0 GIADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000043454890 821409987 /nfs/dbraw/zinc/40/99/87/821409987.db2.gz AKWNXRVUEWYMIR-INIZCTEOSA-N 1 0 386.927 4.365 20 0 GIADRO COc1ccc([C@@H]([NH2+]Cc2ccccc2CS(C)(=O)=O)c2ccccc2)cc1 ZINC000180715910 821414308 /nfs/dbraw/zinc/41/43/08/821414308.db2.gz RMEAKUKULRPPKO-QHCPKHFHSA-N 1 0 395.524 4.119 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@@H]2CCOc3ccc(F)cc32)cc1Cn1cccn1 ZINC000180715846 821414348 /nfs/dbraw/zinc/41/43/48/821414348.db2.gz WVKOZXJNPHEMOO-MGPUTAFESA-N 1 0 381.451 4.254 20 0 GIADRO C[C@H]([NH2+][C@H]1CCOc2ccc(F)cc21)c1ccc(OCc2nccn2C)cc1 ZINC000180717748 821415607 /nfs/dbraw/zinc/41/56/07/821415607.db2.gz SOEXYLDTKSFGCM-YWZLYKJASA-N 1 0 381.451 4.313 20 0 GIADRO Cc1nn(-c2ccc(C(=O)N(C)C3CC[NH+](C(C)C)CC3)cc2)c(C)c1Cl ZINC000043506247 821420107 /nfs/dbraw/zinc/42/01/07/821420107.db2.gz DBVKWOXNUFTIDS-UHFFFAOYSA-N 1 0 388.943 4.087 20 0 GIADRO Cc1cc(N2CCN(C(=O)c3ccccc3OC(F)F)CC2)c2ccccc2[nH+]1 ZINC000043537508 821423151 /nfs/dbraw/zinc/42/31/51/821423151.db2.gz VYPHYECTOHWNIE-UHFFFAOYSA-N 1 0 397.425 4.107 20 0 GIADRO COc1cc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1OCc1cccs1 ZINC000180734056 821423528 /nfs/dbraw/zinc/42/35/28/821423528.db2.gz BZZPYMVDIUADBT-ICSRJNTNSA-N 1 0 386.561 4.252 20 0 GIADRO C[C@@H](NCC1([NH+]2CCCCC2)CCOCC1)c1cc(Br)ccc1F ZINC000180738572 821426240 /nfs/dbraw/zinc/42/62/40/821426240.db2.gz PGNQIIHTDIUNKC-OAHLLOKOSA-N 1 0 399.348 4.274 20 0 GIADRO CC[C@@H](CNC(=O)Nc1ccccc1N1CC[NH+](CC)CC1)c1ccccc1 ZINC000043574861 821429096 /nfs/dbraw/zinc/42/90/96/821429096.db2.gz VXWHSBPVVXAHOR-IBGZPJMESA-N 1 0 380.536 4.144 20 0 GIADRO CCCN(C(=O)c1cccs1)C1CC[NH+](Cc2ccccc2NC(C)=O)CC1 ZINC000180750232 821433378 /nfs/dbraw/zinc/43/33/78/821433378.db2.gz FLXKVNLGPIMJPZ-UHFFFAOYSA-N 1 0 399.560 4.223 20 0 GIADRO O=C(CCC[NH2+][C@H]1CCCOc2c(Cl)cccc21)N1Cc2ccccc2C1 ZINC000180753950 821435377 /nfs/dbraw/zinc/43/53/77/821435377.db2.gz PDBPXPDGRORLAD-FQEVSTJZSA-N 1 0 384.907 4.466 20 0 GIADRO COc1cc([C@H](C)[NH2+]CCCC(=O)N2Cc3ccccc3C2)ccc1SC ZINC000180756164 821436796 /nfs/dbraw/zinc/43/67/96/821436796.db2.gz VNPLFGYRHNQMOV-INIZCTEOSA-N 1 0 384.545 4.390 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1=O)c1ccc(-c2ccncc2)cc1 ZINC000180770030 821445302 /nfs/dbraw/zinc/44/53/02/821445302.db2.gz CDYSRZOOGVURBF-HRAATJIYSA-N 1 0 375.447 4.344 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@H]1c1c(C)n[nH]c1C)c1ccsc1 ZINC000180772012 821446632 /nfs/dbraw/zinc/44/66/32/821446632.db2.gz FCUCYQNHOSCAJJ-ZWKOTPCHSA-N 1 0 389.569 4.018 20 0 GIADRO CCOc1ccc([C@H]([NH2+]C[C@@]2(CCO)CCOC2)c2ccccc2Cl)cc1 ZINC000180775547 821449086 /nfs/dbraw/zinc/44/90/86/821449086.db2.gz PPQRVFHHHXBOAR-FCHUYYIVSA-N 1 0 389.923 4.207 20 0 GIADRO O=C(C1CCCC1)N1CC[C@H]([NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000180781121 821453703 /nfs/dbraw/zinc/45/37/03/821453703.db2.gz PUPKUQBNUCGCDF-NRFANRHFSA-N 1 0 384.470 4.435 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CCNC(=O)c2c(F)cccc2F)c2ccccc12 ZINC000180788122 821458725 /nfs/dbraw/zinc/45/87/25/821458725.db2.gz UDQJVBNAYGFISO-AWEZNQCLSA-N 1 0 384.426 4.207 20 0 GIADRO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000043800018 821460768 /nfs/dbraw/zinc/46/07/68/821460768.db2.gz NLGATXYOCXNLKU-KRWDZBQOSA-N 1 0 392.503 4.410 20 0 GIADRO CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000043800620 821460940 /nfs/dbraw/zinc/46/09/40/821460940.db2.gz WWPUFILMSUGNMW-UHFFFAOYSA-N 1 0 392.956 4.207 20 0 GIADRO COc1ccc(C[N@@H+]2CCCN(C(=O)c3cc(SC)ccc3C)CC2)cc1 ZINC000043810258 821462666 /nfs/dbraw/zinc/46/26/66/821462666.db2.gz AULIOYRQLGFPEV-UHFFFAOYSA-N 1 0 384.545 4.074 20 0 GIADRO c1cn(C[C@H]2CCC[N@H+](Cc3ccc(-c4nc5ccccc5s4)o3)C2)nn1 ZINC000180797354 821463921 /nfs/dbraw/zinc/46/39/21/821463921.db2.gz KJQPYIZKPOWGAH-HNNXBMFYSA-N 1 0 379.489 4.060 20 0 GIADRO Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCCOc1cccc2cccnc21 ZINC000180803436 821467391 /nfs/dbraw/zinc/46/73/91/821467391.db2.gz IBKDFCHTPBRTOJ-GOSISDBHSA-N 1 0 377.488 4.319 20 0 GIADRO COc1ccc([C@@H](C[NH2+][C@@H](c2ccccc2)c2ccccn2)N(C)C)cc1OC ZINC000180810211 821471535 /nfs/dbraw/zinc/47/15/35/821471535.db2.gz MXAQSWPFCKHRJY-QPPBQGQZSA-N 1 0 391.515 4.081 20 0 GIADRO CCc1ccc([C@H](NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)C(C)C)cc1 ZINC000043864646 821476277 /nfs/dbraw/zinc/47/62/77/821476277.db2.gz MWFMHUQZIVSMSQ-HSZRJFAPSA-N 1 0 394.563 4.305 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(OCC(F)(F)F)cc1)c1cccs1 ZINC000043924376 821489945 /nfs/dbraw/zinc/48/99/45/821489945.db2.gz ZSPWVCUSACHCSY-AWEZNQCLSA-N 1 0 387.427 4.114 20 0 GIADRO COc1ccc(C[C@H](C)[NH2+]CCCc2nc(-c3ccncc3)cs2)cc1OC ZINC000180846516 821492135 /nfs/dbraw/zinc/49/21/35/821492135.db2.gz IHCPJQZEROTLAS-INIZCTEOSA-N 1 0 397.544 4.376 20 0 GIADRO COc1ccc2c(c1)C[C@@H]([NH2+]CCCc1nc(-c3ccncc3)cs1)CC2 ZINC000180849218 821493503 /nfs/dbraw/zinc/49/35/03/821493503.db2.gz RUDNFVUHCIRPSM-IBGZPJMESA-N 1 0 379.529 4.293 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)N(C)Cc1ccc(F)c(F)c1 ZINC000043993484 821499361 /nfs/dbraw/zinc/49/93/61/821499361.db2.gz HQVIEULSTGWEJU-UHFFFAOYSA-N 1 0 391.462 4.349 20 0 GIADRO COc1ccc2cc(CNC(=O)N[C@@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)ccc2c1 ZINC000180861871 821500436 /nfs/dbraw/zinc/50/04/36/821500436.db2.gz BEIYQFVJVFZXSC-LAUBAEHRSA-N 1 0 395.547 4.301 20 0 GIADRO C[C@H](NC(=O)NCc1ccc(OC(F)(F)F)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180863907 821501223 /nfs/dbraw/zinc/50/12/23/821501223.db2.gz YZWOFTWCOSNARG-HOCLYGCPSA-N 1 0 399.457 4.037 20 0 GIADRO Cc1ccc(-c2nn(Cc3ccccc3)cc2C[N@H+]2CC[C@H]([C@@H](C)O)C2)cc1 ZINC000180868468 821503633 /nfs/dbraw/zinc/50/36/33/821503633.db2.gz DQBIUMMMARFOBW-KNQAVFIVSA-N 1 0 375.516 4.110 20 0 GIADRO O=C(Nc1cccc(OC(F)(F)F)c1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000044017967 821504212 /nfs/dbraw/zinc/50/42/12/821504212.db2.gz RUFJEHBQLISPDB-UHFFFAOYSA-N 1 0 393.409 4.325 20 0 GIADRO CC(C)(C)OC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H](c3nncn3C3CC3)C2)c1 ZINC000180871396 821504817 /nfs/dbraw/zinc/50/48/17/821504817.db2.gz YCVUQLQWAHPJIG-QGZVFWFLSA-N 1 0 397.523 4.340 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(NC(C)=O)c(C)c1)c1ccccc1 ZINC000044048665 821511646 /nfs/dbraw/zinc/51/16/46/821511646.db2.gz WNYGHBKHFROLQJ-OAQYLSRUSA-N 1 0 382.508 4.158 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N[C@H]1CCOc2ccccc21)c1ccc(-c2ccncc2)cc1 ZINC000180884989 821513224 /nfs/dbraw/zinc/51/32/24/821513224.db2.gz DXTNZLCZIHFOQJ-VGSWGCGISA-N 1 0 387.483 4.039 20 0 GIADRO COc1ccc([C@H](CNC(=S)N[C@H](C)c2ccccc2)[NH+]2CCCC2)cc1 ZINC000044054574 821513268 /nfs/dbraw/zinc/51/32/68/821513268.db2.gz QKMUMLCFUUPWQN-UTKZUKDTSA-N 1 0 383.561 4.057 20 0 GIADRO COc1ccc([C@H](CNC(=S)Nc2ccccc2C#N)[NH+]2CCCCC2)cc1 ZINC000044054945 821513442 /nfs/dbraw/zinc/51/34/42/821513442.db2.gz DUUZLRSWBHBZPU-NRFANRHFSA-N 1 0 394.544 4.080 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=S)N[C@@H](C)c3ccccc3)c(C)c2)CC1 ZINC000044055593 821513481 /nfs/dbraw/zinc/51/34/81/821513481.db2.gz MNPCTTBBQUFMFN-SFHVURJKSA-N 1 0 382.577 4.185 20 0 GIADRO CC(C)c1cccc(C(C)C)c1NC(=S)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000044073251 821515759 /nfs/dbraw/zinc/51/57/59/821515759.db2.gz FVMUAQJAAHGVAI-UHFFFAOYSA-N 1 0 390.641 4.246 20 0 GIADRO CC(=O)Nc1ccc(F)c(NC(=O)NCc2ccccc2C[NH+]2CCCCC2)c1 ZINC000044077682 821517522 /nfs/dbraw/zinc/51/75/22/821517522.db2.gz FDODSTAPPFJOFE-UHFFFAOYSA-N 1 0 398.482 4.092 20 0 GIADRO CCN(CC)C(=O)C[C@H](C)[NH2+][C@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000180892721 821519489 /nfs/dbraw/zinc/51/94/89/821519489.db2.gz SWPAOFNMOFSCNH-LSDHHAIUSA-N 1 0 389.565 4.425 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1cccc(NC(=O)C(C)C)c1)c1ccccc1 ZINC000044084349 821519932 /nfs/dbraw/zinc/51/99/32/821519932.db2.gz WCWPZLLDMRFYGM-NRFANRHFSA-N 1 0 396.535 4.486 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1)C(=O)NCCc1cccs1 ZINC000180899919 821524197 /nfs/dbraw/zinc/52/41/97/821524197.db2.gz MAMZJNNZQAEUTE-IRXDYDNUSA-N 1 0 379.529 4.208 20 0 GIADRO COc1cccc(CNC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(-c3ccncc3)cc2)c1 ZINC000180900610 821524665 /nfs/dbraw/zinc/52/46/65/821524665.db2.gz CSVZWBGFSIXFRB-MSOLQXFVSA-N 1 0 389.499 4.113 20 0 GIADRO C[C@@H]([NH2+]C[C@H](O)COCc1ccccc1F)c1ccc(-c2ccncc2)cc1 ZINC000180916804 821535974 /nfs/dbraw/zinc/53/59/74/821535974.db2.gz QCZGVCYEPDDXKD-VGSWGCGISA-N 1 0 380.463 4.116 20 0 GIADRO Cc1noc(C)c1CSc1ccccc1C(=O)NCC[NH+](C(C)C)C(C)C ZINC000044188797 821542889 /nfs/dbraw/zinc/54/28/89/821542889.db2.gz CKURUACIJROTGN-UHFFFAOYSA-N 1 0 389.565 4.432 20 0 GIADRO C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000180929271 821543411 /nfs/dbraw/zinc/54/34/11/821543411.db2.gz DKBLLKQUNLIEIF-MRXNPFEDSA-N 1 0 390.959 4.014 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)Nc2cccc(Cn3cccn3)c2)cc1 ZINC000044247980 821554476 /nfs/dbraw/zinc/55/44/76/821554476.db2.gz PUINCHCBSLELON-UHFFFAOYSA-N 1 0 391.519 4.095 20 0 GIADRO Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000180959860 821557352 /nfs/dbraw/zinc/55/73/52/821557352.db2.gz IOTLDDAZTQNNAZ-GHTZIAJQSA-N 1 0 395.551 4.099 20 0 GIADRO CCc1nc2ccccc2n1C1CC[NH+]([C@@H](C)C(=O)NCc2cccs2)CC1 ZINC000180965632 821560064 /nfs/dbraw/zinc/56/00/64/821560064.db2.gz HQNOHJXPCFULQS-INIZCTEOSA-N 1 0 396.560 4.002 20 0 GIADRO CCc1nc2ccccc2n1C1CC[NH+](C[C@@H](O)c2c(F)cccc2F)CC1 ZINC000180967399 821561272 /nfs/dbraw/zinc/56/12/72/821561272.db2.gz QZYXOOVIAWEIAD-HXUWFJFHSA-N 1 0 385.458 4.247 20 0 GIADRO COc1ccc(C(=O)N2CCC([NH2+][C@@H](C)c3ccc(C)c(C)c3)CC2)cc1OC ZINC000180970921 821564396 /nfs/dbraw/zinc/56/43/96/821564396.db2.gz VUEKKJUNDXSWJP-SFHVURJKSA-N 1 0 396.531 4.276 20 0 GIADRO CCc1ccc([C@H](C)[NH2+]C2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)cc1 ZINC000180971432 821564451 /nfs/dbraw/zinc/56/44/51/821564451.db2.gz HNBSSBASJZRWAD-KRWDZBQOSA-N 1 0 396.531 4.222 20 0 GIADRO COc1ccc(C(=O)N2CCC([NH2+][C@H](C)[C@H](C)c3ccccc3)CC2)cc1OC ZINC000180971667 821564848 /nfs/dbraw/zinc/56/48/48/821564848.db2.gz OPTVEZCKDDLGTE-ZWKOTPCHSA-N 1 0 396.531 4.090 20 0 GIADRO COc1ccc(C(=O)N2CCC([NH2+][C@H](C)c3sccc3C)CC2)cc1OC ZINC000180971590 821565018 /nfs/dbraw/zinc/56/50/18/821565018.db2.gz ZWHJCMBSFXQGRW-OAHLLOKOSA-N 1 0 388.533 4.029 20 0 GIADRO O=C(Nc1cccc(OCC(F)(F)F)c1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000044310380 821567135 /nfs/dbraw/zinc/56/71/35/821567135.db2.gz OKFHETBOUVJLIM-QGZVFWFLSA-N 1 0 393.409 4.024 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)CCc2ccc(Cl)s2)CC1 ZINC000044331163 821570680 /nfs/dbraw/zinc/57/06/80/821570680.db2.gz VGDROOQTBVYAIL-UHFFFAOYSA-N 1 0 377.941 4.115 20 0 GIADRO C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000044331644 821571081 /nfs/dbraw/zinc/57/10/81/821571081.db2.gz WPWRGIXMOHJIAO-SFHVURJKSA-N 1 0 395.547 4.142 20 0 GIADRO COC1(C[NH2+][C@H](c2ccccc2)c2ccccc2Br)CCOCC1 ZINC000180980140 821571170 /nfs/dbraw/zinc/57/11/70/821571170.db2.gz XKPWJUBDVKPKBQ-LJQANCHMSA-N 1 0 390.321 4.324 20 0 GIADRO COCOc1ccc(OC)cc1C[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000180989232 821577929 /nfs/dbraw/zinc/57/79/29/821577929.db2.gz UIGKIXCVYGKKTB-SFHVURJKSA-N 1 0 377.868 4.335 20 0 GIADRO CCn1c2ccccc2nc1[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000180990305 821578576 /nfs/dbraw/zinc/57/85/76/821578576.db2.gz YYUYMENFCUQQAB-JKSUJKDBSA-N 1 0 378.476 4.425 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)CCc1ccc2[nH]ccc2c1 ZINC000180996814 821583058 /nfs/dbraw/zinc/58/30/58/821583058.db2.gz SYLNNBOLDHNMKE-IBGZPJMESA-N 1 0 375.516 4.224 20 0 GIADRO COc1cccc(C[C@@H]([NH2+]CCc2nc(-c3ccccn3)cs2)C2CC2)c1 ZINC000181008206 821589926 /nfs/dbraw/zinc/58/99/26/821589926.db2.gz GQQNWSGLRDXTIW-HXUWFJFHSA-N 1 0 379.529 4.367 20 0 GIADRO COCCOc1ccc([C@@H](C)[NH2+]CCc2nc(-c3ccccn3)cs2)cc1 ZINC000181008597 821590387 /nfs/dbraw/zinc/59/03/87/821590387.db2.gz AMNBEOYKHVFHRY-MRXNPFEDSA-N 1 0 383.517 4.124 20 0 GIADRO C[C@H]([NH2+]CCc1nc(C2CCCCC2)cs1)c1ccc(-n2cnnn2)cc1 ZINC000181015626 821594544 /nfs/dbraw/zinc/59/45/44/821594544.db2.gz CGEAGRJRVWFRTD-HNNXBMFYSA-N 1 0 382.537 4.060 20 0 GIADRO Cc1ccc([C@H]([NH2+]CCSCC(C)C)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000181023677 821598866 /nfs/dbraw/zinc/59/88/66/821598866.db2.gz HKICRSPPOBYFFJ-NRFANRHFSA-N 1 0 391.602 4.467 20 0 GIADRO CCS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(-c3ccccc3OC)cc2)cc1 ZINC000181024967 821599560 /nfs/dbraw/zinc/59/95/60/821599560.db2.gz IZYZLYZTHBIJCO-UHFFFAOYSA-N 1 0 395.524 4.446 20 0 GIADRO COC[C@H](O)CC[NH2+][C@H](c1ccc(Cl)cc1)c1ccc(OC(F)F)cc1 ZINC000181039629 821606425 /nfs/dbraw/zinc/60/64/25/821606425.db2.gz JAYMIBCSKIMVJG-SJLPKXTDSA-N 1 0 385.838 4.018 20 0 GIADRO Cc1nc(C)c(C[NH2+][C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)s1 ZINC000181060248 821614333 /nfs/dbraw/zinc/61/43/33/821614333.db2.gz JCQGAWPOVWWKCC-MRXNPFEDSA-N 1 0 397.466 4.060 20 0 GIADRO CC[NH+]1CCN(Cc2ccc(N[C@@H](c3ccccc3)c3ccccn3)cc2)CC1 ZINC000181080018 821622485 /nfs/dbraw/zinc/62/24/85/821622485.db2.gz PDTGCOZTOXEJGV-VWLOTQADSA-N 1 0 386.543 4.421 20 0 GIADRO Clc1ccc(-c2ccc(C[NH2+]C[C@H]3COC4(CCOCC4)O3)o2)cc1Cl ZINC000181081737 821623330 /nfs/dbraw/zinc/62/33/30/821623330.db2.gz JIAJKNYQVNZJHT-HNNXBMFYSA-N 1 0 398.286 4.265 20 0 GIADRO O=C(Nc1ccc2[nH]c(C(F)F)nc2c1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000181099525 821631944 /nfs/dbraw/zinc/63/19/44/821631944.db2.gz RYCCBFLZLNEYIS-UHFFFAOYSA-N 1 0 391.466 4.277 20 0 GIADRO C[C@@H]([NH2+]C[C@H](O)c1c(Cl)cccc1Cl)c1ccc(N2CCOC2=O)cc1 ZINC000181105866 821635189 /nfs/dbraw/zinc/63/51/89/821635189.db2.gz UCCBENXZOCXPJQ-PXAZEXFGSA-N 1 0 395.286 4.334 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+]C[C@H](O)c2c(Cl)cccc2Cl)s1 ZINC000181108195 821637953 /nfs/dbraw/zinc/63/79/53/821637953.db2.gz QQUXXTNWEIQZAW-YGRLFVJLSA-N 1 0 389.348 4.331 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]C1CCC(S(C)(=O)=O)CC1 ZINC000181115714 821642137 /nfs/dbraw/zinc/64/21/37/821642137.db2.gz JZVWKSFSKZNIFY-IGEOTXOUSA-N 1 0 378.563 4.125 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc2[nH]c(C(F)F)nc2c1)c1ccc(F)cc1 ZINC000181119848 821644795 /nfs/dbraw/zinc/64/47/95/821644795.db2.gz JJXJPYYXXOREQK-INIZCTEOSA-N 1 0 391.397 4.064 20 0 GIADRO Cc1nn(-c2ccccc2)cc1C[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000181120475 821645716 /nfs/dbraw/zinc/64/57/16/821645716.db2.gz IQVBHGIGQHKHAE-UHFFFAOYSA-N 1 0 389.425 4.233 20 0 GIADRO Brc1ccc2c(c1)[C@@H]([NH2+]CCCOC1CCOCC1)CCS2 ZINC000181132864 821653693 /nfs/dbraw/zinc/65/36/93/821653693.db2.gz SALBKAOIQSBIPN-INIZCTEOSA-N 1 0 386.355 4.161 20 0 GIADRO N#Cc1ccc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)c(Br)c1 ZINC000181146917 821662705 /nfs/dbraw/zinc/66/27/05/821662705.db2.gz DEUJUBAPBMABRJ-DOTOQJQBSA-N 1 0 375.266 4.002 20 0 GIADRO CC[C@H](C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(OC)cc1 ZINC000181147807 821663404 /nfs/dbraw/zinc/66/34/04/821663404.db2.gz QTPGUCYWABRKAB-OFNKIYASSA-N 1 0 380.532 4.169 20 0 GIADRO COc1ccc2ccccc2c1-c1cc(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)on1 ZINC000181151895 821666323 /nfs/dbraw/zinc/66/63/23/821666323.db2.gz ZGVLMHIYRNHBTD-PZJWPPBQSA-N 1 0 396.512 4.210 20 0 GIADRO COC[C@@H]([NH2+][C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C)C(C)C ZINC000181167398 821675175 /nfs/dbraw/zinc/67/51/75/821675175.db2.gz JOHKRCLKDYXMJR-YADHBBJMSA-N 1 0 389.561 4.057 20 0 GIADRO C[C@@H](C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1)Oc1cccc(Cl)c1 ZINC000181174061 821678369 /nfs/dbraw/zinc/67/83/69/821678369.db2.gz ZDDYAGJGZQJOGE-STQMWFEESA-N 1 0 385.888 4.001 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]C[C@H](C)Oc2cccc(Cl)c2)cc1NC(C)=O ZINC000181173722 821678424 /nfs/dbraw/zinc/67/84/24/821678424.db2.gz WBGJIXSXPWDQTP-UONOGXRCSA-N 1 0 376.884 4.425 20 0 GIADRO O=C(NCc1ccc(N2CCCCC2)cc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000044910554 821679761 /nfs/dbraw/zinc/67/97/61/821679761.db2.gz QOEVUOIUSZNELG-QHCPKHFHSA-N 1 0 391.559 4.205 20 0 GIADRO Cc1cc(=O)oc2cc(OCC[NH2+][C@H](C[C@H]3CCOC3)c3ccccc3)ccc12 ZINC000181190172 821686383 /nfs/dbraw/zinc/68/63/83/821686383.db2.gz TXTNMVUABYFLTR-XMSQKQJNSA-N 1 0 393.483 4.238 20 0 GIADRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)c1ccc(F)c(Cl)c1F ZINC000181192552 821687738 /nfs/dbraw/zinc/68/77/38/821687738.db2.gz PENRXMJOCFGZQL-UHFFFAOYSA-N 1 0 384.879 4.322 20 0 GIADRO CC(C)C[C@H](C)[NH2+][C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000181194506 821689959 /nfs/dbraw/zinc/68/99/59/821689959.db2.gz UFXXXTRXQQKPSN-XOBRGWDASA-N 1 0 381.488 4.482 20 0 GIADRO CO[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1cccnc1Cl)c1cccc(Cl)c1 ZINC000181196414 821690541 /nfs/dbraw/zinc/69/05/41/821690541.db2.gz YKYMAIYSSGHVPB-LRDDRELGSA-N 1 0 382.291 4.083 20 0 GIADRO CCOC(=O)COc1ccc(CC[NH2+][C@@H](C)c2cnc3ccsc3c2)cc1 ZINC000181198495 821692035 /nfs/dbraw/zinc/69/20/35/821692035.db2.gz ZMXSLTFUNKQMCE-HNNXBMFYSA-N 1 0 384.501 4.132 20 0 GIADRO COCCO[C@@H]1CCC[N@H+](Cc2cc(-c3c(OC)ccc4ccccc43)no2)C1 ZINC000181203327 821694879 /nfs/dbraw/zinc/69/48/79/821694879.db2.gz MZUCMIIGIIKLIS-GOSISDBHSA-N 1 0 396.487 4.131 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000181205762 821696843 /nfs/dbraw/zinc/69/68/43/821696843.db2.gz LKZGAWCYWWIAOW-CRAIPNDOSA-N 1 0 388.895 4.045 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)CCc2ccc3[nH]ccc3c2)CC[N@@H+]1Cc1ccccc1 ZINC000181215579 821702059 /nfs/dbraw/zinc/70/20/59/821702059.db2.gz IOHYJGNOFQGFSS-GCJKJVERSA-N 1 0 375.516 4.270 20 0 GIADRO O=C(C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1)Nc1cc(Cl)ccc1F ZINC000181216432 821702585 /nfs/dbraw/zinc/70/25/85/821702585.db2.gz KZTVOOSMBVDFMH-KDOFPFPSSA-N 1 0 376.859 4.175 20 0 GIADRO Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000181230026 821708121 /nfs/dbraw/zinc/70/81/21/821708121.db2.gz VHZWMJBJTZVXPT-KGLIPLIRSA-N 1 0 394.302 4.266 20 0 GIADRO COc1ccc(-c2nc3c(s2)[C@@H]([NH2+]CCCNC(=O)C2CCC2)CCC3)cc1 ZINC000181231365 821709703 /nfs/dbraw/zinc/70/97/03/821709703.db2.gz UCULPPCECBHQAK-SFHVURJKSA-N 1 0 399.560 4.092 20 0 GIADRO Cc1cc(F)cc2[nH]c(C(=O)N(C)CCC3CCN(c4cc[nH+]cc4)CC3)cc21 ZINC000181239973 821714340 /nfs/dbraw/zinc/71/43/40/821714340.db2.gz IWXUMPRRIJLCRJ-UHFFFAOYSA-N 1 0 394.494 4.389 20 0 GIADRO Cc1cc2ncc([C@H](C)[NH2+][C@@H]3CCN(c4ccc(F)c(Cl)c4)C3)c(C)n2n1 ZINC000181249067 821717822 /nfs/dbraw/zinc/71/78/22/821717822.db2.gz RIJBKMJQXIZOOC-DZGCQCFKSA-N 1 0 387.890 4.068 20 0 GIADRO COc1cccc([C@@H]2[C@H]([NH2+][C@H](C)c3ccc([S@@](C)=O)cc3)CCN2C2CC2)c1 ZINC000181279818 821731750 /nfs/dbraw/zinc/73/17/50/821731750.db2.gz AQFYRDXDDQWSQC-SGNXIKBZSA-N 1 0 398.572 4.061 20 0 GIADRO CC[C@@H](C)c1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)cc1 ZINC000181282933 821733618 /nfs/dbraw/zinc/73/36/18/821733618.db2.gz OLOBHTZOFUFWLH-SJORKVTESA-N 1 0 395.503 4.446 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc(-c2cccnc2)cc1)C(=O)NC(=O)Nc1ccccc1 ZINC000181287564 821736317 /nfs/dbraw/zinc/73/63/17/821736317.db2.gz PEYQJUDQPYJCTO-IAGOWNOFSA-N 1 0 388.471 4.136 20 0 GIADRO Cc1noc(C)c1[C@H](C)CC(=O)O[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000181295512 821740680 /nfs/dbraw/zinc/74/06/80/821740680.db2.gz HBQVDJAXAXLLOD-QVKFZJNVSA-N 1 0 382.504 4.091 20 0 GIADRO COc1cccc(CNC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(-c3cccnc3)cc2)c1 ZINC000181295464 821740831 /nfs/dbraw/zinc/74/08/31/821740831.db2.gz UJIIHRRMUZCXHO-MSOLQXFVSA-N 1 0 389.499 4.113 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1=O)c1ccc(-c2cccnc2)cc1 ZINC000181296773 821741390 /nfs/dbraw/zinc/74/13/90/821741390.db2.gz AZRQQNWVGPRPAD-IIBYNOLFSA-N 1 0 375.447 4.344 20 0 GIADRO CC(C)c1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000181298207 821742156 /nfs/dbraw/zinc/74/21/56/821742156.db2.gz RSLJNRLVICKOLC-IAGOWNOFSA-N 1 0 395.503 4.444 20 0 GIADRO COCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(Oc3ccccc3)c(F)c1)CC2 ZINC000181301537 821743958 /nfs/dbraw/zinc/74/39/58/821743958.db2.gz SZTHKRBZZBVYAK-RDJZCZTQSA-N 1 0 396.466 4.022 20 0 GIADRO CC(C)c1ccc(NC(=O)C[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)cc1 ZINC000181304380 821745153 /nfs/dbraw/zinc/74/51/53/821745153.db2.gz TUZZPTHUKQKZEY-INIZCTEOSA-N 1 0 381.476 4.056 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1ccnn1C1CCCC1)c1ccc(-c2cccnc2)cc1 ZINC000181317517 821755498 /nfs/dbraw/zinc/75/54/98/821755498.db2.gz MGBWNTAHWQJLCO-KRWDZBQOSA-N 1 0 389.503 4.350 20 0 GIADRO COc1ccc([C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C(F)(F)F)cc1 ZINC000181330290 821763341 /nfs/dbraw/zinc/76/33/41/821763341.db2.gz UZXZFIFYDRNAEH-MAUKXSAKSA-N 1 0 384.442 4.069 20 0 GIADRO COc1cccc2[nH]cc(CC[NH2+][C@H](C)c3cc(OC)c(OC)c(OC)c3)c21 ZINC000181337360 821768467 /nfs/dbraw/zinc/76/84/67/821768467.db2.gz BDQFJMBHAIQNHR-CQSZACIVSA-N 1 0 384.476 4.096 20 0 GIADRO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000181340351 821771612 /nfs/dbraw/zinc/77/16/12/821771612.db2.gz SDERQMODCIBYFW-CVEARBPZSA-N 1 0 399.922 4.453 20 0 GIADRO CCc1cccc(CC)c1NC(=O)C[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000181345198 821775215 /nfs/dbraw/zinc/77/52/15/821775215.db2.gz LBFKFPKPAMPOIM-KRWDZBQOSA-N 1 0 393.531 4.228 20 0 GIADRO CO[C@@H](C)CCC(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000181350943 821779480 /nfs/dbraw/zinc/77/94/80/821779480.db2.gz SKBKDMOQEYOKQK-IBGZPJMESA-N 1 0 380.532 4.381 20 0 GIADRO COc1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@@H]2CCc4n[nH]cc4C2)CCC3)cc1 ZINC000181351934 821780452 /nfs/dbraw/zinc/78/04/52/821780452.db2.gz TYGIAPGOHUNVFQ-QAPCUYQASA-N 1 0 380.517 4.066 20 0 GIADRO O[C@H](C[NH2+][C@@H]1CCSc2ccccc21)COc1ccccc1Br ZINC000181359937 821786558 /nfs/dbraw/zinc/78/65/58/821786558.db2.gz YQVQNHACERNMFY-CZUORRHYSA-N 1 0 394.334 4.016 20 0 GIADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]Cc1nc(C2CC2)cs1 ZINC000181366555 821790234 /nfs/dbraw/zinc/79/02/34/821790234.db2.gz MVZAZGUZJYTNNP-LLVKDONJSA-N 1 0 394.338 4.290 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+]C[C@H](c2cccs2)N2CCCC2)s1 ZINC000181366749 821791057 /nfs/dbraw/zinc/79/10/57/821791057.db2.gz RHZYTFJDAZGTMZ-GDBMZVCRSA-N 1 0 379.595 4.190 20 0 GIADRO Cc1cc2oc(=O)cc(C[NH2+][C@@H](C)c3ccc(N4CCCC4=O)cc3)c2cc1C ZINC000181370822 821792305 /nfs/dbraw/zinc/79/23/05/821792305.db2.gz XIEDHDBZRTZTBR-KRWDZBQOSA-N 1 0 390.483 4.387 20 0 GIADRO Cc1cc2oc(=O)cc(C[NH2+][C@H](C)c3ccc(N4CCCC4=O)cc3)c2cc1C ZINC000181370843 821792459 /nfs/dbraw/zinc/79/24/59/821792459.db2.gz XIEDHDBZRTZTBR-QGZVFWFLSA-N 1 0 390.483 4.387 20 0 GIADRO O=C(Nc1ccc(Br)c2ccccc12)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000181371617 821793123 /nfs/dbraw/zinc/79/31/23/821793123.db2.gz OOGOOOUJRWZWOE-CQSZACIVSA-N 1 0 388.309 4.304 20 0 GIADRO Cc1cccc(Cl)c1NC(=O)C[NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000181372224 821793164 /nfs/dbraw/zinc/79/31/64/821793164.db2.gz INYWSXXGFQCVCG-OAHLLOKOSA-N 1 0 385.895 4.065 20 0 GIADRO COC(=O)c1ccc(C[NH2+]Cc2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1 ZINC000181382889 821797606 /nfs/dbraw/zinc/79/76/06/821797606.db2.gz ZMXAGSZYFBDBAI-UHFFFAOYSA-N 1 0 392.430 4.154 20 0 GIADRO COc1cc(C[NH2+]CCc2c(C)[nH]c3ccccc32)ccc1OC(=O)C1CC1 ZINC000181384276 821798793 /nfs/dbraw/zinc/79/87/93/821798793.db2.gz IMVJMHFSZQNZNH-UHFFFAOYSA-N 1 0 378.472 4.133 20 0 GIADRO COc1cc(C)c([C@H](C)[NH2+]C[C@H](O)c2cccc(Br)c2)cc1OC ZINC000181389475 821800929 /nfs/dbraw/zinc/80/09/29/821800929.db2.gz AAIZUBHXUYBLNL-GUYCJALGSA-N 1 0 394.309 4.159 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+]CC2(c3ccc(F)cc3)CCOCC2)s1 ZINC000181389643 821801537 /nfs/dbraw/zinc/80/15/37/821801537.db2.gz JUTRZXXNCFHAFM-HNNXBMFYSA-N 1 0 392.540 4.179 20 0 GIADRO Cc1cccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)c1C ZINC000181392791 821803061 /nfs/dbraw/zinc/80/30/61/821803061.db2.gz BAQTXPITXNIMPY-ZWKOTPCHSA-N 1 0 379.504 4.108 20 0 GIADRO C[C@@H]([NH2+][C@H](CO)c1cccc(Br)c1)c1ccc(F)cc1N(C)C ZINC000181395662 821805403 /nfs/dbraw/zinc/80/54/03/821805403.db2.gz JYCNRVSOAPTVEN-SJKOYZFVSA-N 1 0 381.289 4.038 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+]Cc2cc(C(=O)OC)sc2C)cc1OCC ZINC000181397298 821805675 /nfs/dbraw/zinc/80/56/75/821805675.db2.gz HWEAPZAPAVPBKE-CYBMUJFWSA-N 1 0 377.506 4.491 20 0 GIADRO Cc1cccc(C)c1NC(=O)CCC[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181399602 821806844 /nfs/dbraw/zinc/80/68/44/821806844.db2.gz AHNQMIPPLYZJJT-IBGZPJMESA-N 1 0 393.531 4.500 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(SC(=O)N(C)C)cc1)c1cccc(N2CCCC2=O)c1 ZINC000181403489 821808380 /nfs/dbraw/zinc/80/83/80/821808380.db2.gz MDRWYFMJUCATRF-MRXNPFEDSA-N 1 0 397.544 4.438 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1cccc2ccccc21)c1cccc(N2CCCC2=O)c1 ZINC000181412009 821811805 /nfs/dbraw/zinc/81/18/05/821811805.db2.gz XPHGKJUFJOQLKK-KRWDZBQOSA-N 1 0 387.483 4.256 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+]C[C@H](O)c2cc(Cl)cc(Cl)c2)s1 ZINC000181422258 821818561 /nfs/dbraw/zinc/81/85/61/821818561.db2.gz GZJFHMHWNGJDIC-BONVTDFDSA-N 1 0 389.348 4.331 20 0 GIADRO C[C@@H]([NH2+]CCCc1nc(-c2ccccc2)no1)c1cccc(N2CCCC2=O)c1 ZINC000181423852 821819463 /nfs/dbraw/zinc/81/94/63/821819463.db2.gz FGYVHKRYZVJMFX-QGZVFWFLSA-N 1 0 390.487 4.147 20 0 GIADRO COc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@@H](C)Cc2cc(C)n[nH]2)CCC3)cc1 ZINC000181424044 821819619 /nfs/dbraw/zinc/81/96/19/821819619.db2.gz MVZOILDHWPCKHF-SCLBCKFNSA-N 1 0 382.533 4.448 20 0 GIADRO COc1ccc(C[C@@H]([NH2+][C@H](C)Cc2cc(C)n[nH]2)c2ccc(OC)cc2)cc1 ZINC000181424836 821820264 /nfs/dbraw/zinc/82/02/64/821820264.db2.gz MBHUVXXVNCOVMZ-WAIKUNEKSA-N 1 0 379.504 4.240 20 0 GIADRO Cc1cccc(-c2nc(CC(=O)N[C@@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)cs2)c1 ZINC000181430298 821822642 /nfs/dbraw/zinc/82/26/42/821822642.db2.gz DLCGSJQDFUWBSV-HKUYNNGSSA-N 1 0 397.588 4.430 20 0 GIADRO CSc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181430085 821822713 /nfs/dbraw/zinc/82/27/13/821822713.db2.gz MTYCEPKRKAKVTI-HOTGVXAUSA-N 1 0 397.544 4.213 20 0 GIADRO Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000181438821 821827511 /nfs/dbraw/zinc/82/75/11/821827511.db2.gz NOVDXOSPOWOFPI-OAQYLSRUSA-N 1 0 394.519 4.051 20 0 GIADRO COc1ccc2[nH]cc(C3=CCN(Cc4nnc(C5CC5)n4C4CC4)CC3)c2c1 ZINC000181443082 821828852 /nfs/dbraw/zinc/82/88/52/821828852.db2.gz GKLNNXNSDQYVNB-UHFFFAOYSA-N 1 0 389.503 4.270 20 0 GIADRO Fc1cccc(Cl)c1CN1CCC([NH2+][C@H]2CCO[C@@]3(CCSC3)C2)CC1 ZINC000181455596 821834360 /nfs/dbraw/zinc/83/43/60/821834360.db2.gz DBMNCDRFKWMBGA-JXFKEZNVSA-N 1 0 398.975 4.088 20 0 GIADRO Cc1ccc(-c2cnc(CCC(=O)N[C@@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)o2)cc1 ZINC000181459206 821835391 /nfs/dbraw/zinc/83/53/91/821835391.db2.gz PDTONNBMSOKMAD-AZUAARDMSA-N 1 0 395.547 4.352 20 0 GIADRO CCc1ccc([C@@H](C)[NH2+]Cc2ccc(Br)cc2N2CCOCC2)o1 ZINC000181459028 821835550 /nfs/dbraw/zinc/83/55/50/821835550.db2.gz ZNPPXHHWMKZRLO-CQSZACIVSA-N 1 0 393.325 4.292 20 0 GIADRO Cc1cccc(Oc2ccccc2NC(=O)N2CCC([N@H+](C)CCCO)CC2)c1 ZINC000181473682 821842369 /nfs/dbraw/zinc/84/23/69/821842369.db2.gz IGXBOIBEVXTINP-UHFFFAOYSA-N 1 0 397.519 4.098 20 0 GIADRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2)c1 ZINC000181487133 821848651 /nfs/dbraw/zinc/84/86/51/821848651.db2.gz OEBBJOZZOOWLEC-HSZRJFAPSA-N 1 0 397.478 4.280 20 0 GIADRO C[C@H]([NH2+][C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1ccccc1O ZINC000181505399 821857678 /nfs/dbraw/zinc/85/76/78/821857678.db2.gz VFNRAKDAESQUBK-KSSFIOAISA-N 1 0 392.421 4.253 20 0 GIADRO C[C@H](NC(=O)CCc1cccc(Br)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181507472 821858877 /nfs/dbraw/zinc/85/88/77/821858877.db2.gz KTQYAQJPRDDQLR-RDJZCZTQSA-N 1 0 393.369 4.151 20 0 GIADRO C[C@@H](NC(=O)COc1cc(Cl)ccc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181509224 821859888 /nfs/dbraw/zinc/85/98/88/821859888.db2.gz WQXIDFRKEHBKPG-ZIAGYGMSSA-N 1 0 385.335 4.141 20 0 GIADRO CCCc1ccc(C(=O)CCC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000181518393 821864192 /nfs/dbraw/zinc/86/41/92/821864192.db2.gz BJRLUBXNTAGHHJ-WIYYLYMNSA-N 1 0 384.564 4.371 20 0 GIADRO C[NH+](C)Cc1ccnc(NCc2cc(Br)ccc2OC(F)F)c1 ZINC000181526345 821866398 /nfs/dbraw/zinc/86/63/98/821866398.db2.gz IBQMRUKPVUOGEV-UHFFFAOYSA-N 1 0 386.240 4.119 20 0 GIADRO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cccc(O)c2)c(Br)c1 ZINC000181528894 821867933 /nfs/dbraw/zinc/86/79/33/821867933.db2.gz BPFWPASVICLQTK-CHWSQXEVSA-N 1 0 377.282 4.141 20 0 GIADRO C[C@@H]([NH2+]CCC(=O)N1CCCCC1)c1cc2cc(Br)ccc2o1 ZINC000181528802 821868237 /nfs/dbraw/zinc/86/82/37/821868237.db2.gz BZJPVGPZDVQMMT-CYBMUJFWSA-N 1 0 379.298 4.249 20 0 GIADRO CCc1c2ccccc2oc1[C@H](C)[NH2+]Cc1cccc(OCC(=O)N(C)C)c1 ZINC000181531071 821869011 /nfs/dbraw/zinc/86/90/11/821869011.db2.gz CCBMTKURDPFFNN-INIZCTEOSA-N 1 0 380.488 4.313 20 0 GIADRO C[C@@H](NC(=O)c1cnc(Cc2ccccc2)s1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181531443 821869305 /nfs/dbraw/zinc/86/93/05/821869305.db2.gz FTZRNLRXIXRKRZ-AEFFLSMTSA-N 1 0 383.561 4.117 20 0 GIADRO Cn1cc(C[NH+]2CCC(OCc3ccc(F)cc3)CC2)c(-c2ccccc2)n1 ZINC000181532419 821870006 /nfs/dbraw/zinc/87/00/06/821870006.db2.gz IIKOQSIFWYCNCS-UHFFFAOYSA-N 1 0 379.479 4.407 20 0 GIADRO COc1cccc2cc([C@@H](C)[NH2+]Cc3ccc(CN4CCCC4=O)cc3)oc21 ZINC000181546293 821875827 /nfs/dbraw/zinc/87/58/27/821875827.db2.gz DPNVCAVFGFMPON-MRXNPFEDSA-N 1 0 378.472 4.415 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](c1ccccc1)C(C)(C)CO)c1ncc(Br)s1 ZINC000181555736 821879712 /nfs/dbraw/zinc/87/97/12/821879712.db2.gz ULSXHEMGIZKAMH-OCCSQVGLSA-N 1 0 383.355 4.359 20 0 GIADRO COc1cc(OC)c([C@@H](C)[NH2+]CCc2nnc(-c3ccccc3)o2)cc1Cl ZINC000181558163 821880452 /nfs/dbraw/zinc/88/04/52/821880452.db2.gz JCXQJELWLWFHJN-CYBMUJFWSA-N 1 0 387.867 4.301 20 0 GIADRO C[C@H]([NH2+]C1CCN([C@@H](C)c2ccncc2)CC1)c1ccc2c(c1)OCCCO2 ZINC000181586869 821891349 /nfs/dbraw/zinc/89/13/49/821891349.db2.gz IPKPWQWHCKDMHP-ROUUACIJSA-N 1 0 381.520 4.119 20 0 GIADRO CC1(C)[C@H]([NH2+]C[C@@H]2CCN(c3ccc(Br)cc3)C2)[C@H]2CCCO[C@@H]21 ZINC000181587347 821891614 /nfs/dbraw/zinc/89/16/14/821891614.db2.gz XGRHGAYGKOLPBV-PIKADFDJSA-N 1 0 393.369 4.069 20 0 GIADRO O=C1[C@H]([NH2+][C@H](Cc2cccc(F)c2)c2cccc(F)c2)CCN1CC(F)(F)F ZINC000181594679 821894961 /nfs/dbraw/zinc/89/49/61/821894961.db2.gz RTAHDNZCKJWUMY-QZTJIDSGSA-N 1 0 398.375 4.001 20 0 GIADRO COc1ccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1OC1CCCC1 ZINC000181596833 821896159 /nfs/dbraw/zinc/89/61/59/821896159.db2.gz AXFDMYSQLNQXPW-LJQANCHMSA-N 1 0 398.503 4.177 20 0 GIADRO COCCCOc1cccc(C[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)c1 ZINC000181601878 821898623 /nfs/dbraw/zinc/89/86/23/821898623.db2.gz WVCMXMZFRGRZER-GOSISDBHSA-N 1 0 382.504 4.080 20 0 GIADRO CC[C@H]([NH2+]Cc1ccc(COC2CCOCC2)cc1)c1ccc2c(c1)OCCO2 ZINC000181611198 821903054 /nfs/dbraw/zinc/90/30/54/821903054.db2.gz CMUBRGWHDGBHCG-QFIPXVFZSA-N 1 0 397.515 4.394 20 0 GIADRO C[C@@H](NC(=O)Cc1coc2cc3c(cc12)CCC3)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181628309 821911859 /nfs/dbraw/zinc/91/18/59/821911859.db2.gz AHYPKYJNZOELCR-APWZRJJASA-N 1 0 380.532 4.233 20 0 GIADRO C[C@H](NC(=O)c1ncoc1-c1ccccc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181638340 821916930 /nfs/dbraw/zinc/91/69/30/821916930.db2.gz YBAFXNYILNXQDN-GJZGRUSLSA-N 1 0 387.911 4.378 20 0 GIADRO Cc1sc(NC(=O)C[NH2+][C@@H](C)c2cccnc2)nc1-c1ccc(Cl)cc1 ZINC000181655428 821925627 /nfs/dbraw/zinc/92/56/27/821925627.db2.gz MPFRFLPZZLMJCJ-LBPRGKRZSA-N 1 0 386.908 4.456 20 0 GIADRO COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@H](C)c2ccc(OCC#N)cc2)C1 ZINC000181658230 821927630 /nfs/dbraw/zinc/92/76/30/821927630.db2.gz NDZIPPFWUNJQIF-QAPCUYQASA-N 1 0 385.895 4.180 20 0 GIADRO CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000181659666 821928519 /nfs/dbraw/zinc/92/85/19/821928519.db2.gz JGUKEGMKAWAMPR-ZBFHGGJFSA-N 1 0 383.460 4.191 20 0 GIADRO CCO[C@H]1C[C@@H]([NH2+]C2CCN(C(=O)c3ccc(C)cc3)CC2)C12CCCCC2 ZINC000181668247 821934140 /nfs/dbraw/zinc/93/41/40/821934140.db2.gz FHJPCGMOWMEEER-YADHBBJMSA-N 1 0 384.564 4.317 20 0 GIADRO C[C@H](NC(=O)c1cnc(-c2ccccc2F)s1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181669926 821935663 /nfs/dbraw/zinc/93/56/63/821935663.db2.gz YLAWHFRWRPRQMJ-GJZGRUSLSA-N 1 0 387.524 4.332 20 0 GIADRO COC(=O)c1ccc(CN[C@H](C)c2cc(Br)ccc2F)cc1OC ZINC000181685678 821943751 /nfs/dbraw/zinc/94/37/51/821943751.db2.gz YSKUUPPWWVEOEU-LLVKDONJSA-N 1 0 396.256 4.234 20 0 GIADRO COC(=O)c1ccc(C[NH2+][C@H](C)c2ccc(F)c(Br)c2)cc1OC ZINC000181687375 821944506 /nfs/dbraw/zinc/94/45/06/821944506.db2.gz YLOJRUZCBYFRLZ-LLVKDONJSA-N 1 0 396.256 4.234 20 0 GIADRO CN(C)C(=O)N1CCC([NH2+]CC2(c3cccc(C(F)(F)F)c3)CCCC2)CC1 ZINC000181701868 821950057 /nfs/dbraw/zinc/95/00/57/821950057.db2.gz HHPRTHMNDUXBGQ-UHFFFAOYSA-N 1 0 397.485 4.253 20 0 GIADRO C[C@@H]([NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)c1cccc(N2CCOC2=O)c1 ZINC000181710516 821954368 /nfs/dbraw/zinc/95/43/68/821954368.db2.gz KBUPSXIIMDYLMT-KGVIQGDOSA-N 1 0 380.488 4.462 20 0 GIADRO C[C@H]([NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)c1cccc(N2CCOC2=O)c1 ZINC000181710497 821954502 /nfs/dbraw/zinc/95/45/02/821954502.db2.gz KBUPSXIIMDYLMT-NPPFBWRTSA-N 1 0 380.488 4.462 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1)[C@@H]1COc2ccccc21 ZINC000181722520 821961317 /nfs/dbraw/zinc/96/13/17/821961317.db2.gz ICUZVGLSVQNEHM-FVJLSDCUSA-N 1 0 377.488 4.214 20 0 GIADRO CCc1nn(C)c(CC)c1C[NH2+][C@H](C)c1ccc(I)cc1 ZINC000181725565 821963162 /nfs/dbraw/zinc/96/31/62/821963162.db2.gz JUEGKCFWCUVJRY-GFCCVEGCSA-N 1 0 397.304 4.000 20 0 GIADRO CN(C)c1cccc(C[NH2+][C@@H]2CCSc3ccc(Br)cc32)n1 ZINC000181735890 821968864 /nfs/dbraw/zinc/96/88/64/821968864.db2.gz MAEVGRYAHNMDCZ-OAHLLOKOSA-N 1 0 378.339 4.237 20 0 GIADRO CCO[C@H]1C[C@H]([NH2+]CC2CCN(Cc3nc(C)c(C)o3)CC2)C1(CC)CC ZINC000181740314 821971422 /nfs/dbraw/zinc/97/14/22/821971422.db2.gz LIKDRLCIJXJHGR-PMACEKPBSA-N 1 0 377.573 4.077 20 0 GIADRO CC[C@@H]([NH2+]Cc1ccccc1Oc1ccccc1)c1cccc(S(N)(=O)=O)c1 ZINC000181749812 821975432 /nfs/dbraw/zinc/97/54/32/821975432.db2.gz OPWFUPNIMPCKBN-OAQYLSRUSA-N 1 0 396.512 4.367 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1OC(F)F)c1ccc(-n2ccnn2)cc1 ZINC000181751716 821976640 /nfs/dbraw/zinc/97/66/40/821976640.db2.gz MCQQPVVIZSNTFW-CHWSQXEVSA-N 1 0 376.382 4.420 20 0 GIADRO Cc1cccc(COc2ccc([C@H](C)[NH2+]CC3CCS(=O)(=O)CC3)cc2)c1 ZINC000181760504 821980015 /nfs/dbraw/zinc/98/00/15/821980015.db2.gz AZDPFTHZGQMPOO-SFHVURJKSA-N 1 0 387.545 4.049 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)Cc1ccc2c(c1)NC(=O)C2)C1CCCCC1 ZINC000181761816 821980436 /nfs/dbraw/zinc/98/04/36/821980436.db2.gz KRWYZFCTSJGPLO-UHFFFAOYSA-N 1 0 391.515 4.127 20 0 GIADRO C[C@@H]([NH2+]CC1CCS(=O)(=O)CC1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000181762858 821981158 /nfs/dbraw/zinc/98/11/58/821981158.db2.gz VXAXUUWTBBVVTA-OAHLLOKOSA-N 1 0 377.481 4.093 20 0 GIADRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+]CC1CCS(=O)(=O)CC1 ZINC000181763062 821981725 /nfs/dbraw/zinc/98/17/25/821981725.db2.gz CDLDFCCFDYFQFP-GFCCVEGCSA-N 1 0 398.981 4.247 20 0 GIADRO COc1cc([C@@H](C)[NH2+]Cc2cnn(CC(C)C)c2)ccc1OCc1ccncc1 ZINC000181767880 821984818 /nfs/dbraw/zinc/98/48/18/821984818.db2.gz GVEIRVNADGETDT-GOSISDBHSA-N 1 0 394.519 4.373 20 0 GIADRO Cc1c(C[NH2+][C@@H](C)c2cnn(-c3ccc(Cl)cc3Cl)c2C)cnn1C ZINC000181778760 821988727 /nfs/dbraw/zinc/98/87/27/821988727.db2.gz KPJLFIHWEMXWJR-NSHDSACASA-N 1 0 378.307 4.380 20 0 GIADRO CCC[C@@H]([NH2+]Cc1cc(OCC)n2nc(C(F)(F)F)nc2n1)c1ccccc1 ZINC000181787416 821992122 /nfs/dbraw/zinc/99/21/22/821992122.db2.gz NIQUBFOUWGNVDC-OAHLLOKOSA-N 1 0 393.413 4.173 20 0 GIADRO Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 ZINC000181800620 821998171 /nfs/dbraw/zinc/99/81/71/821998171.db2.gz CCWBBUNXQQAOPQ-SJLPKXTDSA-N 1 0 388.458 4.296 20 0 GIADRO CCOc1cccc2cc([C@@H](C)[NH2+]CCc3cccc(C(=O)N(C)C)c3)oc21 ZINC000181811413 822002649 /nfs/dbraw/zinc/00/26/49/822002649.db2.gz JWERQWWFFUEPAO-MRXNPFEDSA-N 1 0 380.488 4.427 20 0 GIADRO CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000181816751 822004479 /nfs/dbraw/zinc/00/44/79/822004479.db2.gz KMVWKJYISRKTJW-SJLPKXTDSA-N 1 0 386.923 4.438 20 0 GIADRO C[C@H]([NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1cccc(OC(F)(F)F)c1 ZINC000181818811 822005181 /nfs/dbraw/zinc/00/51/81/822005181.db2.gz UHSYONPOQAWEDW-RDJZCZTQSA-N 1 0 392.421 4.285 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@@H](C)Cc2c(C)nn(C)c2C)c(Br)c1 ZINC000181818750 822005241 /nfs/dbraw/zinc/00/52/41/822005241.db2.gz RYSFIYGUYYIYBE-RYUDHWBXSA-N 1 0 380.330 4.090 20 0 GIADRO Cc1ccc(N2CCC[C@@H]([NH2+]C3CCN(Cc4ccc(C#N)cc4)CC3)C2)cc1 ZINC000181828270 822009065 /nfs/dbraw/zinc/00/90/65/822009065.db2.gz IVSDPCRQBPZOBK-XMMPIXPASA-N 1 0 388.559 4.090 20 0 GIADRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)c2ccccc2Br)cc1[N+](=O)[O-] ZINC000181829862 822009948 /nfs/dbraw/zinc/00/99/48/822009948.db2.gz ACRDRARVJUHYEF-SJCJKPOMSA-N 1 0 379.254 4.050 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)C(F)F)cc1)c1cccc(N2CCCC2)c1 ZINC000181863750 822019949 /nfs/dbraw/zinc/01/99/49/822019949.db2.gz GEZSDWRIDRCFRE-OAHLLOKOSA-N 1 0 394.487 4.134 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)c1cccc(Br)c1)c1cccc(N2CCCC2)c1 ZINC000181870088 822021763 /nfs/dbraw/zinc/02/17/63/822021763.db2.gz BXXYRHDEGSFWOI-YWZLYKJASA-N 1 0 389.337 4.434 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1F)c1cccc(N2CCCC2)c1 ZINC000181877047 822024242 /nfs/dbraw/zinc/02/42/42/822024242.db2.gz VMGKMWMWLQUMPB-AWEZNQCLSA-N 1 0 375.875 4.369 20 0 GIADRO Cc1ccc(C[C@@H](C)C(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)cc1 ZINC000181899450 822030529 /nfs/dbraw/zinc/03/05/29/822030529.db2.gz CELXEYSBJRYLSR-NHCUHLMSSA-N 1 0 394.559 4.190 20 0 GIADRO CCOc1ccccc1NC(=O)C[NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000181905547 822032791 /nfs/dbraw/zinc/03/27/91/822032791.db2.gz XSTZPKDKFZQTDA-ZDUSSCGKSA-N 1 0 382.382 4.273 20 0 GIADRO COc1ccccc1[C@@H](C[NH2+][C@H](C)c1ccc(NC(C)=O)cc1)N1CCCC1 ZINC000181913701 822035553 /nfs/dbraw/zinc/03/55/53/822035553.db2.gz MUZRRXKOCABTLL-VGOFRKELSA-N 1 0 381.520 4.141 20 0 GIADRO COc1ccc([C@@H](C[NH2+][C@@H](C)c2ccc(NC(C)=O)cc2)N2CCCC2)cc1 ZINC000181917770 822036058 /nfs/dbraw/zinc/03/60/58/822036058.db2.gz GOEQXSXQVYFCPA-GAJHUEQPSA-N 1 0 381.520 4.141 20 0 GIADRO CCN(CC)[C@H](C[NH2+][C@H](C)c1ccc(NC(C)=O)cc1)c1cccc(OC)c1 ZINC000181925235 822037719 /nfs/dbraw/zinc/03/77/19/822037719.db2.gz WRMGFIHUQFUUDI-UZUQRXQVSA-N 1 0 383.536 4.387 20 0 GIADRO COc1cc(C[NH2+][C@@H](C)c2ccc(NC(C)=O)cc2)ccc1OCC(F)(F)F ZINC000181937695 822040237 /nfs/dbraw/zinc/04/02/37/822040237.db2.gz VMRLWTFUFFNTPO-ZDUSSCGKSA-N 1 0 396.409 4.446 20 0 GIADRO CC(C)c1ccc(C2(O)CCC([NH2+]Cc3cccnc3-n3ccnc3)CC2)cc1 ZINC000181939207 822040583 /nfs/dbraw/zinc/04/05/83/822040583.db2.gz HQQKONYJDZQKHW-UHFFFAOYSA-N 1 0 390.531 4.311 20 0 GIADRO CN(C)C(=O)c1cccc(NC(=O)C[NH2+][C@H](CC2CCCC2)c2ccccc2)c1 ZINC000181942289 822041465 /nfs/dbraw/zinc/04/14/65/822041465.db2.gz QIEHZTBTWJSWRI-JOCHJYFZSA-N 1 0 393.531 4.238 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1cc2c(ccc3ccccc23)o1 ZINC000181950861 822043567 /nfs/dbraw/zinc/04/35/67/822043567.db2.gz SLZNPOZZWPCWFZ-WBMJQRKESA-N 1 0 376.378 4.400 20 0 GIADRO O=C(c1ccc(C(F)(F)F)cc1Cl)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000181951926 822043705 /nfs/dbraw/zinc/04/37/05/822043705.db2.gz OPXDZGYWKRVGNE-SJKOYZFVSA-N 1 0 386.845 4.448 20 0 GIADRO C[C@@H]([NH2+]CCNC(=O)c1c(F)cccc1F)c1cc2cc(Cl)ccc2o1 ZINC000181952796 822044207 /nfs/dbraw/zinc/04/42/07/822044207.db2.gz IRGNWBCAPSHPIL-LLVKDONJSA-N 1 0 378.806 4.445 20 0 GIADRO C[N@H+](CCCc1ccccc1Br)Cc1ccc([S@@](C)=O)cc1 ZINC000181960688 822046708 /nfs/dbraw/zinc/04/67/08/822046708.db2.gz FDEPGVSWHJKYFR-JOCHJYFZSA-N 1 0 380.351 4.251 20 0 GIADRO CCC(CC)[C@@H]1C[C@@H](NC(=O)NC2CC[NH+](C3CCCCC3)CC2)CCO1 ZINC000181962400 822047339 /nfs/dbraw/zinc/04/73/39/822047339.db2.gz VLMQJHRLZBQXAD-FPOVZHCZSA-N 1 0 379.589 4.067 20 0 GIADRO COc1cccc([C@@H]2[C@H](NC(=O)N(C)[C@H](C)c3cccs3)CC[N@@H+]2C2CC2)c1 ZINC000181988150 822054399 /nfs/dbraw/zinc/05/43/99/822054399.db2.gz INYILYXGIZTJIF-QFIXIFRTSA-N 1 0 399.560 4.437 20 0 GIADRO COc1ccccc1N1CC[C@H]([NH2+]Cc2ccccc2OCc2cccnc2)C1 ZINC000181991067 822055962 /nfs/dbraw/zinc/05/59/62/822055962.db2.gz MFOKNZIFFRTEBJ-NRFANRHFSA-N 1 0 389.499 4.038 20 0 GIADRO Cc1cc(N2CC[C@H]([NH2+][C@@H](C)c3cc4c(ccc5ccccc45)o3)C2=O)n(C)n1 ZINC000181997013 822057465 /nfs/dbraw/zinc/05/74/65/822057465.db2.gz RPCIIYQEBSFNGJ-KXBFYZLASA-N 1 0 388.471 4.084 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)cc1F ZINC000181997624 822057733 /nfs/dbraw/zinc/05/77/33/822057733.db2.gz YVXHCEYJIIZGDB-HZPDHXFCSA-N 1 0 385.483 4.112 20 0 GIADRO COC(=O)c1ccc(Cl)c(C[NH2+]C2(c3ccc(F)cc3)CCOCC2)c1 ZINC000182001980 822058756 /nfs/dbraw/zinc/05/87/56/822058756.db2.gz YKDAQCGJSPHHKU-UHFFFAOYSA-N 1 0 377.843 4.061 20 0 GIADRO CCC(CC)n1nc(C(=O)Nc2ccccc2NC2CC[NH+](C)CC2)cc1C ZINC000182029132 822067377 /nfs/dbraw/zinc/06/73/77/822067377.db2.gz NZWKCGQKJQRZJV-UHFFFAOYSA-N 1 0 383.540 4.311 20 0 GIADRO Cc1nn(C)c(C)c1CCC[NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000182044908 822071813 /nfs/dbraw/zinc/07/18/13/822071813.db2.gz RAABIJOAEVXWCN-UHFFFAOYSA-N 1 0 380.319 4.342 20 0 GIADRO COc1ccc(Cl)cc1N1CC[C@@H]([NH2+][C@H](C)c2ccc(NC(C)=O)cc2)C1 ZINC000182049040 822073661 /nfs/dbraw/zinc/07/36/61/822073661.db2.gz ZAKXFYIMWOIDQX-AUUYWEPGSA-N 1 0 387.911 4.237 20 0 GIADRO C[C@@H]([NH2+]Cc1cc(-c2ccc(Cl)cc2)no1)c1ccc(-n2ccnn2)cc1 ZINC000182052447 822075151 /nfs/dbraw/zinc/07/51/51/822075151.db2.gz SVGZWKKHNKPMOP-CQSZACIVSA-N 1 0 379.851 4.427 20 0 GIADRO CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H](C)c1cc2cccc(OC)c2o1 ZINC000182065749 822079602 /nfs/dbraw/zinc/07/96/02/822079602.db2.gz GYQDGEIBDUQREV-WBVHZDCISA-N 1 0 387.501 4.345 20 0 GIADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccc(C2SCCS2)cc1 ZINC000182071667 822081781 /nfs/dbraw/zinc/08/17/81/822081781.db2.gz ABDXEACYDOWFRG-MRXNPFEDSA-N 1 0 386.586 4.416 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]Cc2ncc(C)c(OC)c2C)cc1Br ZINC000182080640 822085556 /nfs/dbraw/zinc/08/55/56/822085556.db2.gz GAFWBWHNWCKLII-CYBMUJFWSA-N 1 0 379.298 4.329 20 0 GIADRO CC(=O)Nc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3ccccc3OC(F)F)C2)cc1 ZINC000182085292 822087710 /nfs/dbraw/zinc/08/77/10/822087710.db2.gz DYFKNUSRGQVATF-KDOFPFPSSA-N 1 0 389.446 4.176 20 0 GIADRO CCc1c2ccccc2oc1[C@@H](C)[NH2+][C@H](C)Cn1ncc2ccccc2c1=O ZINC000182092594 822090704 /nfs/dbraw/zinc/09/07/04/822090704.db2.gz FWSKFFBDJPGZAB-HZPDHXFCSA-N 1 0 375.472 4.444 20 0 GIADRO CC(=O)Nc1ccc([C@@H](C)[NH2+]C2CCN(c3ccc(N(C)C)cc3)CC2)cc1 ZINC000182100076 822093434 /nfs/dbraw/zinc/09/34/34/822093434.db2.gz YBDWKBDKRSDAGZ-QGZVFWFLSA-N 1 0 380.536 4.031 20 0 GIADRO CC(C)Sc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2sccc2C(N)=O)cc1 ZINC000182105297 822095768 /nfs/dbraw/zinc/09/57/68/822095768.db2.gz QCLYEHGATRDKGZ-OLZOCXBDSA-N 1 0 391.562 4.025 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CCCc2c(C)nn(C)c2C)c(Br)c1 ZINC000182109185 822097142 /nfs/dbraw/zinc/09/71/42/822097142.db2.gz MOWOVYVEWDGONH-GFCCVEGCSA-N 1 0 380.330 4.091 20 0 GIADRO COC(=O)c1ccc(Cl)c(C[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)c1 ZINC000182108718 822097342 /nfs/dbraw/zinc/09/73/42/822097342.db2.gz QKPJDHHTIUKKHE-ZDUSSCGKSA-N 1 0 386.879 4.326 20 0 GIADRO CCNC(=O)c1cccc(NC(=O)C[NH2+][C@@H](C)c2ccc(SC(C)C)cc2)c1 ZINC000182109374 822097695 /nfs/dbraw/zinc/09/76/95/822097695.db2.gz FXSLMVUKCBMRNL-INIZCTEOSA-N 1 0 399.560 4.226 20 0 GIADRO CC(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)cc1 ZINC000182127472 822107067 /nfs/dbraw/zinc/10/70/67/822107067.db2.gz WZJOAHZFWYJEMW-KRWDZBQOSA-N 1 0 379.504 4.122 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1)c1ccc(N2CCOC2=O)cc1 ZINC000182142064 822114981 /nfs/dbraw/zinc/11/49/81/822114981.db2.gz ZRYZVTFWHMSYDP-MRXNPFEDSA-N 1 0 396.487 4.449 20 0 GIADRO C[C@@H](Nc1ccc(OC[C@@H]2CCCO2)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000182143334 822115502 /nfs/dbraw/zinc/11/55/02/822115502.db2.gz HABCCOGUMNDEFZ-JPYJTQIMSA-N 1 0 384.520 4.358 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H]1CCCOc2c(F)cccc21 ZINC000182144015 822115509 /nfs/dbraw/zinc/11/55/09/822115509.db2.gz ZTPHCABOPUAEHA-NRFANRHFSA-N 1 0 399.510 4.333 20 0 GIADRO C[C@H](Nc1ccc(OC[C@H]2CCCO2)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000182143355 822115656 /nfs/dbraw/zinc/11/56/56/822115656.db2.gz HABCCOGUMNDEFZ-FDDCHVKYSA-N 1 0 384.520 4.358 20 0 GIADRO CC(=O)Nc1ccc([C@H](C)[NH2+][C@H](C)Cc2cc(C)nn2-c2ccccc2)cc1 ZINC000182160209 822124062 /nfs/dbraw/zinc/12/40/62/822124062.db2.gz XMGDPTRHBVLFSZ-AEFFLSMTSA-N 1 0 376.504 4.421 20 0 GIADRO CC(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccc(COC3CCOCC3)cc2)cc1 ZINC000182163341 822125421 /nfs/dbraw/zinc/12/54/21/822125421.db2.gz GJFGDDXSFPHECJ-KRWDZBQOSA-N 1 0 382.504 4.191 20 0 GIADRO C[C@H]([NH2+][C@H]1CCCOc2cc(Cl)ccc21)c1ccc(S(C)(=O)=O)cc1 ZINC000182169492 822129119 /nfs/dbraw/zinc/12/91/19/822129119.db2.gz ZTZFQYSOYUQBSB-UGSOOPFHSA-N 1 0 379.909 4.308 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCCOc2c(Cl)cccc21)c1ccc(NS(C)(=O)=O)cc1 ZINC000182177604 822133886 /nfs/dbraw/zinc/13/38/86/822133886.db2.gz LIWKQEXCOVNHSM-ACJLOTCBSA-N 1 0 394.924 4.276 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCc1ccc(OC(C)(C)C)nc1 ZINC000182186802 822138054 /nfs/dbraw/zinc/13/80/54/822138054.db2.gz GBQBLXFKRMYLDD-UHFFFAOYSA-N 1 0 398.551 4.052 20 0 GIADRO COC(=O)c1ccc(-c2nc(C[N@H+](C[C@@H]3CCCO3)C3CCCC3)co2)cc1 ZINC000182191772 822140212 /nfs/dbraw/zinc/14/02/12/822140212.db2.gz UXBBXCPFNSTBSI-FQEVSTJZSA-N 1 0 384.476 4.052 20 0 GIADRO CCC(CC)[C@@H]1C[C@H](NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)CCO1 ZINC000182195282 822141216 /nfs/dbraw/zinc/14/12/16/822141216.db2.gz XSJWMRCZUPQVSP-DYXWJJEUSA-N 1 0 391.556 4.090 20 0 GIADRO CCC(CC)[C@@H]1C[C@H](NC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CCO1 ZINC000182215869 822151142 /nfs/dbraw/zinc/15/11/42/822151142.db2.gz COTGHVIMHPMQPC-QYZOEREBSA-N 1 0 393.597 4.168 20 0 GIADRO CC(=O)Nc1ccc([C@@H](C)[NH2+]CCNc2cccc(Br)c2)cc1 ZINC000182223727 822154987 /nfs/dbraw/zinc/15/49/87/822154987.db2.gz BDCAPSMAVVYQHW-CYBMUJFWSA-N 1 0 376.298 4.170 20 0 GIADRO CC1(C)[C@H]([NH2+]C2CCN(C(=O)c3ccccc3)CC2)C[C@H]1OCc1ccccc1 ZINC000182263968 822176809 /nfs/dbraw/zinc/17/68/09/822176809.db2.gz PEFWGBXCEMXLPJ-DHIUTWEWSA-N 1 0 392.543 4.265 20 0 GIADRO CC[NH+](CC)Cc1cc([C@@H](C)Nc2ccc3c(c2)N(C)C(=O)CO3)ccc1OC ZINC000182291200 822190130 /nfs/dbraw/zinc/19/01/30/822190130.db2.gz WPSFIIZEGQHMDI-MRXNPFEDSA-N 1 0 397.519 4.065 20 0 GIADRO COc1ccc(OC)c([C@H]2CCCN2C(=O)C[NH2+][C@H](C)c2ccc(C)cc2)c1 ZINC000182311904 822199132 /nfs/dbraw/zinc/19/91/32/822199132.db2.gz UILGOQOANZVJAB-DYESRHJHSA-N 1 0 382.504 4.027 20 0 GIADRO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[NH2+][C@H](C)c1ccc(C)cc1 ZINC000182334872 822206198 /nfs/dbraw/zinc/20/61/98/822206198.db2.gz GHNUJQPUUMVOFB-QGZVFWFLSA-N 1 0 376.504 4.395 20 0 GIADRO CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2ccc3cc(OC)ccc3c2)cc1 ZINC000182336195 822206466 /nfs/dbraw/zinc/20/64/66/822206466.db2.gz NNCSKTXNYUEIIM-MRXNPFEDSA-N 1 0 383.513 4.493 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3cccc(OC(F)F)c3)cc2)CC1 ZINC000182358017 822214103 /nfs/dbraw/zinc/21/41/03/822214103.db2.gz DPYFEFBOLHCHPU-UHFFFAOYSA-N 1 0 389.446 4.071 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)N[C@H](c2cccc(F)c2F)C(F)(F)F)c1 ZINC000182359391 822214375 /nfs/dbraw/zinc/21/43/75/822214375.db2.gz FMCFLSYTMWZZOO-MRXNPFEDSA-N 1 0 387.352 4.452 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3cccc(-n4cccc4)c3)cc2)CC1 ZINC000182360786 822215045 /nfs/dbraw/zinc/21/50/45/822215045.db2.gz FCABAWGCQLWUCE-UHFFFAOYSA-N 1 0 388.515 4.260 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)CCc3c[nH]c4ccccc34)cc2)CC1 ZINC000182370033 822218073 /nfs/dbraw/zinc/21/80/73/822218073.db2.gz VWXQUSCSRYPDFV-UHFFFAOYSA-N 1 0 390.531 4.270 20 0 GIADRO Cc1cccc2c(CC(=O)Nc3ccc(N4CCC([NH+](C)C)CC4)cc3)c[nH]c21 ZINC000182371323 822218644 /nfs/dbraw/zinc/21/86/44/822218644.db2.gz JSGYQSTYMKATAF-UHFFFAOYSA-N 1 0 390.531 4.188 20 0 GIADRO Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000182406902 822232538 /nfs/dbraw/zinc/23/25/38/822232538.db2.gz DNGKNUKAQZDJRV-FQEVSTJZSA-N 1 0 389.588 4.165 20 0 GIADRO Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000182408984 822232801 /nfs/dbraw/zinc/23/28/01/822232801.db2.gz JSPODVWOGYPBTA-PXNSSMCTSA-N 1 0 389.588 4.165 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C1(c2ccc(F)cc2F)CCC1 ZINC000182427593 822239698 /nfs/dbraw/zinc/23/96/98/822239698.db2.gz HLLRUJYLFXMPGU-UHFFFAOYSA-N 1 0 399.485 4.085 20 0 GIADRO COc1ccccc1[C@H](C)NC(=O)C[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000182455043 822248895 /nfs/dbraw/zinc/24/88/95/822248895.db2.gz VUFXEFUDEBJQQP-KBPBESRZSA-N 1 0 380.410 4.242 20 0 GIADRO CCC[C@H](C)C[NH2+][C@H](c1ccc(OC)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000182463530 822252956 /nfs/dbraw/zinc/25/29/56/822252956.db2.gz XITKPXUVVZBGBW-HRAATJIYSA-N 1 0 375.534 4.214 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2cncn2-c2ccc(F)cc2)CC1 ZINC000177962805 822258868 /nfs/dbraw/zinc/25/88/68/822258868.db2.gz JETPICLFNMENEY-GOSISDBHSA-N 1 0 398.526 4.128 20 0 GIADRO COc1ccc(C[C@@H](C)[NH2+][C@H](C)c2nnn(-c3ccc(F)cc3)c2C)cc1OC ZINC000177964524 822260129 /nfs/dbraw/zinc/26/01/29/822260129.db2.gz QUCOUEQCHVQEAB-HUUCEWRRSA-N 1 0 398.482 4.014 20 0 GIADRO C[C@H]([NH2+]CCCOc1cccc2ccccc21)c1ccc(S(C)(=O)=O)cc1 ZINC000177981208 822268595 /nfs/dbraw/zinc/26/85/95/822268595.db2.gz QMAVWPHVERVMGS-KRWDZBQOSA-N 1 0 383.513 4.363 20 0 GIADRO C[N@@H+]1CCC[C@H]2CN(C(=O)NC(c3ccc(F)cc3)c3ccc(F)cc3)CC[C@@H]21 ZINC000177990907 822272785 /nfs/dbraw/zinc/27/27/85/822272785.db2.gz WRXRBRGCIKMNKE-RXVVDRJESA-N 1 0 399.485 4.180 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)[NH2+]Cc2cccc(CN3CCCC3=O)c2)cc1 ZINC000177994127 822274296 /nfs/dbraw/zinc/27/42/96/822274296.db2.gz ZVBJUNWEPANLIL-SFHVURJKSA-N 1 0 388.515 4.154 20 0 GIADRO Cc1cc2c(cc1C)[C@@H]([NH2+]Cc1cccc(CN3CCCC3=O)c1)CCCO2 ZINC000177994190 822274789 /nfs/dbraw/zinc/27/47/89/822274789.db2.gz GGQAHVHQEUYKSL-QFIPXVFZSA-N 1 0 378.516 4.429 20 0 GIADRO C[C@H]([NH2+]CC(=O)N1CCC[C@H](C(F)(F)F)C1)c1ccc(OC(F)(F)F)cc1 ZINC000182517552 822278699 /nfs/dbraw/zinc/27/86/99/822278699.db2.gz GNIKPSNAITYNIN-AAEUAGOBSA-N 1 0 398.347 4.037 20 0 GIADRO C[C@@H]([NH2+]CCc1ccc(F)c(Br)c1)c1ccc([S@](C)=O)cc1 ZINC000178009345 822280320 /nfs/dbraw/zinc/28/03/20/822280320.db2.gz DHXWPOQCGJIQOF-IPQOISQHSA-N 1 0 384.314 4.219 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2C)C1 ZINC000178013227 822282685 /nfs/dbraw/zinc/28/26/85/822282685.db2.gz PXWNBFAXGXMMDY-GOSISDBHSA-N 1 0 394.519 4.053 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H](C)C(=O)N2CCC[C@@H]2c2cccs2)c1 ZINC000182525627 822283184 /nfs/dbraw/zinc/28/31/84/822283184.db2.gz CAGIMQRNKFKTBF-YZVOILCLSA-N 1 0 385.533 4.109 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+][C@H](C)C(=O)N2CCC[C@@H]2c2cccs2)c1 ZINC000182525666 822283303 /nfs/dbraw/zinc/28/33/03/822283303.db2.gz CAGIMQRNKFKTBF-QMTMVMCOSA-N 1 0 385.533 4.109 20 0 GIADRO COc1ccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1Cc1ccccc1 ZINC000178017442 822283745 /nfs/dbraw/zinc/28/37/45/822283745.db2.gz VGIHOBKHCZFALD-KNQAVFIVSA-N 1 0 393.531 4.234 20 0 GIADRO CC(=O)c1ccc(NC(=O)NC2CC[NH+](CC3CCCC3)CC2)cc1Cl ZINC000182537557 822289498 /nfs/dbraw/zinc/28/94/98/822289498.db2.gz ISIBHVMNMGTHGI-UHFFFAOYSA-N 1 0 377.916 4.319 20 0 GIADRO CC(=O)c1ccc(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1Cl ZINC000182543944 822293602 /nfs/dbraw/zinc/29/36/02/822293602.db2.gz RORMVCGWUCDBPS-KRWDZBQOSA-N 1 0 375.856 4.094 20 0 GIADRO O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1cccc(C[NH+]2CCCC2)c1 ZINC000182545212 822294291 /nfs/dbraw/zinc/29/42/91/822294291.db2.gz WAMAUZLVZSQWHF-NHCUHLMSSA-N 1 0 384.907 4.196 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]Cc1cccnc1-n1cncn1 ZINC000178048397 822299562 /nfs/dbraw/zinc/29/95/62/822299562.db2.gz MKUHUVHQGKNLPH-HNNXBMFYSA-N 1 0 390.516 4.253 20 0 GIADRO Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+]Cc1cccnc1-n1cncn1 ZINC000178049858 822300350 /nfs/dbraw/zinc/30/03/50/822300350.db2.gz MSCTZMLYSHXYHL-ZDUSSCGKSA-N 1 0 394.479 4.084 20 0 GIADRO COc1cc(N[C@@H]2CCC[N@H+](Cc3nc4ccccc4nc3C)C2)cc(OC)c1 ZINC000178058717 822304223 /nfs/dbraw/zinc/30/42/23/822304223.db2.gz COCGJIAPUQIYCH-QGZVFWFLSA-N 1 0 392.503 4.032 20 0 GIADRO O=C(NC[C@@H]1CCC[N@@H+](Cc2cc(F)cc3cccnc32)C1)c1ccccc1 ZINC000178063141 822306184 /nfs/dbraw/zinc/30/61/84/822306184.db2.gz AMYHANJEJAGWSS-KRWDZBQOSA-N 1 0 377.463 4.016 20 0 GIADRO C[C@H](c1cc(F)ccc1F)[NH+]1CCC(OCCCNC(=O)OC(C)(C)C)CC1 ZINC000178067334 822307965 /nfs/dbraw/zinc/30/79/65/822307965.db2.gz TWUAJRSKUULCAR-OAHLLOKOSA-N 1 0 398.494 4.422 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000182577023 822310188 /nfs/dbraw/zinc/31/01/88/822310188.db2.gz SHWOCYHXFSTSEW-XLIONFOSSA-N 1 0 379.504 4.446 20 0 GIADRO CN(C)S(=O)(=O)c1ccc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CCC2)cc1 ZINC000182577488 822310241 /nfs/dbraw/zinc/31/02/41/822310241.db2.gz LFCRRJOCZIJDLU-HXUWFJFHSA-N 1 0 392.952 4.221 20 0 GIADRO COc1cccc([C@H](O)C[NH2+][C@@H](C)c2cnn(-c3cc(C)ccc3C)c2C)c1 ZINC000178082719 822312130 /nfs/dbraw/zinc/31/21/30/822312130.db2.gz QNTKBKPRRNQPPE-GAJHUEQPSA-N 1 0 379.504 4.190 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)C[NH2+][C@H](c2ccc(Cl)cc2)C2CCC2)c1 ZINC000182587586 822313484 /nfs/dbraw/zinc/31/34/84/822313484.db2.gz LJQIKMFIBPRKDU-NRFANRHFSA-N 1 0 385.895 4.368 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl)c1ccc(N2CCOC2=O)cc1 ZINC000178088136 822314443 /nfs/dbraw/zinc/31/44/43/822314443.db2.gz UOBYGDOEICNRSJ-KZULUSFZSA-N 1 0 395.286 4.334 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)Nc2cccnc2N2CCCC2)CC1 ZINC000178089399 822314943 /nfs/dbraw/zinc/31/49/43/822314943.db2.gz WZHSUHSFIRAVRJ-LJQANCHMSA-N 1 0 399.583 4.190 20 0 GIADRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1cc(OC)ccc1OC)c1cccc(Cl)c1 ZINC000182594870 822316112 /nfs/dbraw/zinc/31/61/12/822316112.db2.gz YQBPOBKRFYUYAX-DYVFJYSZSA-N 1 0 376.884 4.425 20 0 GIADRO COCCOc1ccc(Cl)cc1C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000178102311 822319867 /nfs/dbraw/zinc/31/98/67/822319867.db2.gz DCSASLQYVHXLGH-UHFFFAOYSA-N 1 0 388.895 4.213 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)cnn1-c1ccc(F)cc1 ZINC000178105114 822321566 /nfs/dbraw/zinc/32/15/66/822321566.db2.gz MEOTXIRXQDXKCW-LKLRLBKWSA-N 1 0 385.508 4.469 20 0 GIADRO Cc1nc(CN2CCC(C[NH2+][C@@H]3CCSc4c(F)cccc43)CC2)oc1C ZINC000178105929 822321920 /nfs/dbraw/zinc/32/19/20/822321920.db2.gz HITQQLPOIUELOF-LJQANCHMSA-N 1 0 389.540 4.469 20 0 GIADRO CN(CCCn1ccnc1)C(=O)Nc1ccccc1N1CCc2ccccc21 ZINC000178108129 822322414 /nfs/dbraw/zinc/32/24/14/822322414.db2.gz STSUFTFXFUOEMM-UHFFFAOYSA-N 1 0 375.476 4.131 20 0 GIADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](c2ccc(F)cc2)C2CCCC2)cc1 ZINC000178114635 822324304 /nfs/dbraw/zinc/32/43/04/822324304.db2.gz KQLFJHFZWRMCNM-VFNWGFHPSA-N 1 0 390.524 4.316 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc2c(c1)OCO2)c1ccc(OC(F)F)cc1OC(F)F ZINC000178118941 822325075 /nfs/dbraw/zinc/32/50/75/822325075.db2.gz CFDFYGBZZFHZDI-SNVBAGLBSA-N 1 0 387.329 4.469 20 0 GIADRO CC(C)[NH+]1CCC(NC(=O)c2ccccc2NC(=O)OCc2ccccc2)CC1 ZINC000182629790 822330519 /nfs/dbraw/zinc/33/05/19/822330519.db2.gz YRHQJODKLWJPAZ-UHFFFAOYSA-N 1 0 395.503 4.038 20 0 GIADRO COC(=O)[C@H](C)Oc1ccc(C[NH2+][C@H](C)c2cccc(OC(F)(F)F)c2)cc1 ZINC000182633888 822331975 /nfs/dbraw/zinc/33/19/75/822331975.db2.gz UNBOHXATOOVUJS-KGLIPLIRSA-N 1 0 397.393 4.376 20 0 GIADRO COC[C@@H]([NH2+]Cc1ccc(NC(=O)c2ccco2)cc1)c1ccc(F)c(F)c1 ZINC000182637935 822333779 /nfs/dbraw/zinc/33/37/79/822333779.db2.gz OSJZHVFCVZJYKG-LJQANCHMSA-N 1 0 386.398 4.287 20 0 GIADRO Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000182644509 822336526 /nfs/dbraw/zinc/33/65/26/822336526.db2.gz XBAALAGMAGQMNK-MSOLQXFVSA-N 1 0 377.577 4.020 20 0 GIADRO CCOC(=O)C[C@@H](C)[N@H+](C)Cc1cc(-c2c(OC)ccc3ccccc32)no1 ZINC000182651668 822339682 /nfs/dbraw/zinc/33/96/82/822339682.db2.gz GBUFDNMFUPXKSM-OAHLLOKOSA-N 1 0 382.460 4.277 20 0 GIADRO CN(C)C(=O)N1CCC([NH2+][C@H](c2ccsc2)c2ccc(Cl)cc2)CC1 ZINC000182652413 822339843 /nfs/dbraw/zinc/33/98/43/822339843.db2.gz WRSVLQBSVUHSMX-SFHVURJKSA-N 1 0 377.941 4.227 20 0 GIADRO C[C@@H]([NH2+][C@H]1CC(C)(C)c2ccccc21)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000178180200 822344593 /nfs/dbraw/zinc/34/45/93/822344593.db2.gz HYWODXVRUSOLIS-ZHRRBRCNSA-N 1 0 378.516 4.417 20 0 GIADRO C[C@H](CNC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)Sc1ccccc1 ZINC000182677290 822348309 /nfs/dbraw/zinc/34/83/09/822348309.db2.gz ISWVJXNAHWJEDS-KZNAEPCWSA-N 1 0 375.582 4.119 20 0 GIADRO C[C@H](NC(=O)C1(c2ccccc2)CC[NH2+]CC1)c1cccc(OC(F)(F)F)c1 ZINC000178194960 822348693 /nfs/dbraw/zinc/34/86/93/822348693.db2.gz LQPNUYZMCNJYJG-HNNXBMFYSA-N 1 0 392.421 4.084 20 0 GIADRO Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+][C@H]1CCCN(c2ncccn2)C1 ZINC000178193806 822348800 /nfs/dbraw/zinc/34/88/00/822348800.db2.gz QYXGYHBKUSYLIA-APWZRJJASA-N 1 0 393.560 4.152 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@H]2CCCN(c3ncccn3)C2)ccc1SC(F)F ZINC000178195765 822349491 /nfs/dbraw/zinc/34/94/91/822349491.db2.gz KDQUGEOVRKBBKB-ZFWWWQNUSA-N 1 0 394.491 4.120 20 0 GIADRO O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)N(Cc1ccccn1)C1CC1 ZINC000178201862 822350798 /nfs/dbraw/zinc/35/07/98/822350798.db2.gz BERJVIDYMHILFE-UHFFFAOYSA-N 1 0 394.519 4.143 20 0 GIADRO O=C(C[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21)Nc1ccc(F)c(F)c1F ZINC000178202691 822351205 /nfs/dbraw/zinc/35/12/05/822351205.db2.gz YPWHTNWQQFNOFD-OAHLLOKOSA-N 1 0 376.378 4.079 20 0 GIADRO CC[C@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1F)c1ccc(OC(F)F)cc1 ZINC000178203237 822351232 /nfs/dbraw/zinc/35/12/32/822351232.db2.gz GVDVIQTUYSSRIG-ZDUSSCGKSA-N 1 0 388.336 4.385 20 0 GIADRO Cc1[nH]c2c(cccc2C(=O)N2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1C ZINC000178232730 822357096 /nfs/dbraw/zinc/35/70/96/822357096.db2.gz HKSIJBLUVVKOAW-IAGOWNOFSA-N 1 0 397.563 4.136 20 0 GIADRO Cc1ccc(OC(F)F)c(CNC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000182722810 822357866 /nfs/dbraw/zinc/35/78/66/822357866.db2.gz OTSARKKGJPUPDX-HOTGVXAUSA-N 1 0 395.494 4.049 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)cc1OC ZINC000182724348 822358106 /nfs/dbraw/zinc/35/81/06/822358106.db2.gz GDFTUBUZRDTKCI-DOTOQJQBSA-N 1 0 378.513 4.144 20 0 GIADRO CCn1cc(C(=O)N2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c2ccccc21 ZINC000178249199 822358445 /nfs/dbraw/zinc/35/84/45/822358445.db2.gz RYGJKJLJRNNIRF-RTBURBONSA-N 1 0 397.563 4.013 20 0 GIADRO Cn1ccnc1[C@@H]1C[C@H]([NH2+][C@H]2CCCOc3cc4c(cc32)CCCC4)CCO1 ZINC000453404880 822358413 /nfs/dbraw/zinc/35/84/13/822358413.db2.gz RZKAPPQHBCTLRC-CBQOVEMMSA-N 1 0 381.520 4.023 20 0 GIADRO CC[C@H]([NH2+][C@@H]1CCO[C@@H](c2nccn2C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000453405437 822358463 /nfs/dbraw/zinc/35/84/63/822358463.db2.gz SNBJDEJGZOGBHS-HYVNUMGLSA-N 1 0 383.414 4.280 20 0 GIADRO COc1cc(F)cc(C[C@@H](C)[NH2+][C@H](C)c2cc(OC)c(OC)c(OC)c2)c1 ZINC000453408344 822358639 /nfs/dbraw/zinc/35/86/39/822358639.db2.gz VKNMNKJTNFEOJL-ZIAGYGMSSA-N 1 0 377.456 4.142 20 0 GIADRO Cn1ccnc1[C@H]1C[C@@H]([NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)CCO1 ZINC000453407253 822358698 /nfs/dbraw/zinc/35/86/98/822358698.db2.gz UNFOCHQROUORFJ-VQTJNVASSA-N 1 0 383.442 4.298 20 0 GIADRO Cc1cnc(CC[NH2+][C@@H](C)c2ccc(Br)cc2Br)cn1 ZINC000453410116 822358900 /nfs/dbraw/zinc/35/89/00/822358900.db2.gz VAOUQRGRYPIQML-NSHDSACASA-N 1 0 399.130 4.203 20 0 GIADRO C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000182731070 822359001 /nfs/dbraw/zinc/35/90/01/822359001.db2.gz HXMMBWQNPBXBIJ-ZIAGYGMSSA-N 1 0 378.563 4.128 20 0 GIADRO O=C1[C@H]([NH2+][C@H]2CCCc3nc(-c4ccccc4F)sc32)C[C@H]2CCCCN12 ZINC000453414628 822359701 /nfs/dbraw/zinc/35/97/01/822359701.db2.gz BJTYXQNAQUVBSE-RPVQJOFSSA-N 1 0 385.508 4.070 20 0 GIADRO Cc1c2ccccc2oc1C(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000178259099 822360010 /nfs/dbraw/zinc/36/00/10/822360010.db2.gz IZNDAGKHMUGULX-IAGOWNOFSA-N 1 0 384.520 4.093 20 0 GIADRO C[C@H](NC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182739213 822360278 /nfs/dbraw/zinc/36/02/78/822360278.db2.gz JTPYBWZCMBXIBR-SQGPQFPESA-N 1 0 385.552 4.241 20 0 GIADRO CSc1cccc([C@@H]([NH2+]C[C@@]2(C)CCC(=O)N2)c2ccc(F)c(F)c2)c1 ZINC000453421976 822360560 /nfs/dbraw/zinc/36/05/60/822360560.db2.gz MGPSPOIKACDZHG-WOJBJXKFSA-N 1 0 376.472 4.034 20 0 GIADRO CC[C@H]([NH2+][C@@H](c1ccc(Br)cc1C(F)(F)F)C1CC1)C(=O)NC ZINC000453425441 822361233 /nfs/dbraw/zinc/36/12/33/822361233.db2.gz YQVZAMSLKFQCKR-UONOGXRCSA-N 1 0 393.247 4.033 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)cc1Cn1cccn1 ZINC000178268936 822361324 /nfs/dbraw/zinc/36/13/24/822361324.db2.gz ZUAYOXNACXQQEX-IRXDYDNUSA-N 1 0 393.487 4.123 20 0 GIADRO Cc1ccc(C[C@H](CO)[NH2+][C@H](C)c2ccc(NC(=O)NC(C)C)cc2)cc1C ZINC000453425328 822361300 /nfs/dbraw/zinc/36/13/00/822361300.db2.gz GQGMRNGPJCPBHM-XMSQKQJNSA-N 1 0 383.536 4.088 20 0 GIADRO O=C(CCc1ncc(-c2ccccc2Cl)o1)N1CC[NH+](C2CCCC2)CC1 ZINC000045085668 822361948 /nfs/dbraw/zinc/36/19/48/822361948.db2.gz FOPVMGKJFCKUFL-UHFFFAOYSA-N 1 0 387.911 4.014 20 0 GIADRO COc1ccc([C@H](C)[NH2+]Cc2ccc(OC(F)F)cc2)cc1Cn1cccn1 ZINC000178282524 822362952 /nfs/dbraw/zinc/36/29/52/822362952.db2.gz ZDJOOXCEWRDKNG-HNNXBMFYSA-N 1 0 387.430 4.392 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]Cc2cccc(CS(C)(=O)=O)c2)c2ccccc12 ZINC000178286287 822363435 /nfs/dbraw/zinc/36/34/35/822363435.db2.gz XOVZWXHIMSCOPL-MRXNPFEDSA-N 1 0 383.513 4.244 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCC1)N[C@@H]1CCSc2ccccc21 ZINC000045115956 822363540 /nfs/dbraw/zinc/36/35/40/822363540.db2.gz LQXUTXHYSHWJDG-HXUWFJFHSA-N 1 0 381.545 4.319 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@@H]2CCO[C@@H](c3cccs3)C2)cc(OC)c1OC ZINC000453442103 822363595 /nfs/dbraw/zinc/36/35/95/822363595.db2.gz XXIFDONCHJWHAA-FVQBIDKESA-N 1 0 377.506 4.345 20 0 GIADRO O=C(c1ccc2ncsc2c1)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000178292826 822363953 /nfs/dbraw/zinc/36/39/53/822363953.db2.gz MWDZSBCVRLJQBR-FPOVZHCZSA-N 1 0 391.540 4.423 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCC(c2ccc(O)cc2)CC1 ZINC000045132389 822364940 /nfs/dbraw/zinc/36/49/40/822364940.db2.gz QQNREGWGEGINHX-UHFFFAOYSA-N 1 0 395.547 4.323 20 0 GIADRO CCC[C@H]1CN(c2nnc([C@H]3CCCCO3)n2CC)CC[N@@H+]1Cc1ccccc1 ZINC000453452585 822366073 /nfs/dbraw/zinc/36/60/73/822366073.db2.gz PYJXWRNWUYKYEV-LEWJYISDSA-N 1 0 397.567 4.031 20 0 GIADRO O=C(Nc1ccc(OCc2ccccn2)c(F)c1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178316541 822366675 /nfs/dbraw/zinc/36/66/75/822366675.db2.gz UMNQDADMEIFQOD-KRWDZBQOSA-N 1 0 397.494 4.393 20 0 GIADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)N[C@@H](c1ccco1)c1ccccc1 ZINC000045154975 822367009 /nfs/dbraw/zinc/36/70/09/822367009.db2.gz WTPBFXQIGRBVNP-HSZRJFAPSA-N 1 0 391.515 4.185 20 0 GIADRO COc1cc(OC)c([C@@H](C)[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)cc1Cl ZINC000178325784 822367277 /nfs/dbraw/zinc/36/72/77/822367277.db2.gz VPYRRNHAFMXFOF-ZIAGYGMSSA-N 1 0 386.883 4.350 20 0 GIADRO C[C@@H]([NH2+]Cc1csc(CNC(=O)c2ccccc2)n1)[C@H](C)c1ccccc1 ZINC000178326977 822367338 /nfs/dbraw/zinc/36/73/38/822367338.db2.gz DOLSKDUVGAYJCN-DLBZAZTESA-N 1 0 379.529 4.355 20 0 GIADRO CCN(c1nnc([C@@H]2CC[C@H](C)O2)n1CC)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000453457372 822367673 /nfs/dbraw/zinc/36/76/73/822367673.db2.gz ATWUCXXAOANMLQ-MMKMLUHNSA-N 1 0 397.567 4.200 20 0 GIADRO O=S(=O)(CC[NH2+]Cc1cc(Cl)cc2cccnc21)c1ccc(Cl)cc1 ZINC000178330212 822367766 /nfs/dbraw/zinc/36/77/66/822367766.db2.gz BODGVSVFVSJDFO-UHFFFAOYSA-N 1 0 395.311 4.105 20 0 GIADRO C[C@H](CNC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1)c1nccs1 ZINC000182792444 822367957 /nfs/dbraw/zinc/36/79/57/822367957.db2.gz QRFPNARISXVTHJ-HZPDHXFCSA-N 1 0 392.594 4.081 20 0 GIADRO Cc1c([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccnc2C)cnn1-c1cccc(Cl)c1 ZINC000453458304 822368007 /nfs/dbraw/zinc/36/80/07/822368007.db2.gz VWLOMVSTSFGYJT-HIFRSBDPSA-N 1 0 397.910 4.215 20 0 GIADRO Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@H]1CCCc2ccc(Br)cc21 ZINC000453459330 822368268 /nfs/dbraw/zinc/36/82/68/822368268.db2.gz WFQJYDLSNYIZNA-UGSOOPFHSA-N 1 0 388.309 4.147 20 0 GIADRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H]2CCc3cc(F)ccc32)cc1 ZINC000178339673 822368894 /nfs/dbraw/zinc/36/88/94/822368894.db2.gz UJWBMLPYALHZEH-VFNWGFHPSA-N 1 0 390.524 4.194 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCC1)N1CCC[C@H]1c1ccc(F)cc1 ZINC000045191055 822369240 /nfs/dbraw/zinc/36/92/40/822369240.db2.gz DJVXCJXTAKNXIC-QFIPXVFZSA-N 1 0 381.495 4.468 20 0 GIADRO COc1ccc([C@@H]2CCCN2C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000045191556 822369302 /nfs/dbraw/zinc/36/93/02/822369302.db2.gz ZTYQZYJYXLBSFV-QHCPKHFHSA-N 1 0 393.531 4.338 20 0 GIADRO Cc1cc2ncc([C@@H](C)Nc3cccc(C[NH+]4CCSCC4)c3)c(C)n2n1 ZINC000182804048 822370350 /nfs/dbraw/zinc/37/03/50/822370350.db2.gz YLUBMRYSDCLUCM-MRXNPFEDSA-N 1 0 381.549 4.068 20 0 GIADRO O=C(N[C@@H]1CCSc2ccc(F)cc21)N1CCC([NH+]2CCCCC2)CC1 ZINC000045233641 822371871 /nfs/dbraw/zinc/37/18/71/822371871.db2.gz OQFIKCXIHZBUDP-GOSISDBHSA-N 1 0 377.529 4.023 20 0 GIADRO COCC[C@](C)(O)C[NH2+][C@@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21 ZINC000178380935 822373208 /nfs/dbraw/zinc/37/32/08/822373208.db2.gz PTMCJQFTBQFNGQ-BEFAXECRSA-N 1 0 380.941 4.218 20 0 GIADRO COCC[C@@](C)(O)C[NH2+][C@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21 ZINC000178380944 822373225 /nfs/dbraw/zinc/37/32/25/822373225.db2.gz PTMCJQFTBQFNGQ-HNAYVOBHSA-N 1 0 380.941 4.218 20 0 GIADRO C[C@H](CC(=O)NCc1ccc(OCc2cccc(F)c2)cc1)C1CC[NH2+]CC1 ZINC000178389860 822374326 /nfs/dbraw/zinc/37/43/26/822374326.db2.gz ULNNIESKCYBZJM-QGZVFWFLSA-N 1 0 384.495 4.047 20 0 GIADRO Cc1cc(N2CCCC2)ccc1NC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182828678 822374338 /nfs/dbraw/zinc/37/43/38/822374338.db2.gz WWISBSNGMBVQOQ-RBUKOAKNSA-N 1 0 384.568 4.370 20 0 GIADRO CC1([C@H]2CCC[N@H+](Cn3c(-c4ccccc4)csc3=S)C2)OCCO1 ZINC000182833211 822375072 /nfs/dbraw/zinc/37/50/72/822375072.db2.gz IYHLKIWIJDXDQR-INIZCTEOSA-N 1 0 376.547 4.379 20 0 GIADRO COc1ccc(C[NH2+][C@H]2CCCOc3ccc(Br)cc32)cc1O ZINC000178407786 822376396 /nfs/dbraw/zinc/37/63/96/822376396.db2.gz DELGTFBMVSPFMM-HNNXBMFYSA-N 1 0 378.266 4.167 20 0 GIADRO COc1ccc(C[NH2+][C@@H]2CCCOc3c(Br)cccc32)cc1O ZINC000178409169 822376470 /nfs/dbraw/zinc/37/64/70/822376470.db2.gz ZXWKNBOFWSYEGT-OAHLLOKOSA-N 1 0 378.266 4.167 20 0 GIADRO C[C@@H](NC(=O)c1ccccc1NC(=O)C(C)(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182840079 822376540 /nfs/dbraw/zinc/37/65/40/822376540.db2.gz VYXHVTUYPFZWKP-SJORKVTESA-N 1 0 385.552 4.054 20 0 GIADRO C[C@H](NC(=O)Nc1cccc(OCC(F)(F)F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182845843 822377664 /nfs/dbraw/zinc/37/76/64/822377664.db2.gz NDCMLEACQFOBMJ-GJZGRUSLSA-N 1 0 399.457 4.402 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CCc2ccc(Br)cc2)cc1NC(C)=O ZINC000178425328 822377939 /nfs/dbraw/zinc/37/79/39/822377939.db2.gz WVURCGSVGKYPEC-ZDUSSCGKSA-N 1 0 391.309 4.309 20 0 GIADRO O=C(Nc1ccc(OC(F)F)c(Cl)c1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000178430286 822378375 /nfs/dbraw/zinc/37/83/75/822378375.db2.gz PMTADHMGVTXNDB-LRDDRELGSA-N 1 0 399.869 4.422 20 0 GIADRO C[C@@H](NC(=O)N(C)Cc1ccc(F)cc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182850039 822378418 /nfs/dbraw/zinc/37/84/18/822378418.db2.gz IMFXPWKMOADCHG-HUUCEWRRSA-N 1 0 381.923 4.274 20 0 GIADRO Cc1nc(C)c([C@H](C)[NH2+][C@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)s1 ZINC000178437169 822379226 /nfs/dbraw/zinc/37/92/26/822379226.db2.gz QLLQILZGMDKNMK-CABCVRRESA-N 1 0 386.565 4.428 20 0 GIADRO CCN(CC)[C@H](C[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1)c1cccc(OC)c1 ZINC000178463203 822381503 /nfs/dbraw/zinc/38/15/03/822381503.db2.gz WQGQEFVXBUYTEU-UWMNEONRSA-N 1 0 388.577 4.166 20 0 GIADRO C[C@@H](NC(=O)N(C)CCc1ccc(Cl)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182867850 822382358 /nfs/dbraw/zinc/38/23/58/822382358.db2.gz YOYHYXOZCARNJN-SJLPKXTDSA-N 1 0 377.960 4.177 20 0 GIADRO C[C@@H](NC(=O)Nc1ccc(N2CCCC2)c(F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182868884 822382686 /nfs/dbraw/zinc/38/26/86/822382686.db2.gz IGSUIMYAWSGWOF-IAGOWNOFSA-N 1 0 388.531 4.200 20 0 GIADRO CC[C@@H]1c2ccsc2CCN1C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182869829 822382750 /nfs/dbraw/zinc/38/27/50/822382750.db2.gz GACOIUYSLWOFBT-FRQCXROJSA-N 1 0 375.582 4.420 20 0 GIADRO Cc1cc(Br)c(C[NH+]2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)s1 ZINC000453564726 822385170 /nfs/dbraw/zinc/38/51/70/822385170.db2.gz PFQDQUDSASZLFP-CYBMUJFWSA-N 1 0 399.398 4.290 20 0 GIADRO Cc1cc(Br)c(C[N@@H+]2CCC[C@H](CNC(=O)c3ccco3)C2)s1 ZINC000453570971 822385833 /nfs/dbraw/zinc/38/58/33/822385833.db2.gz DILDZJCCKDMQHV-CYBMUJFWSA-N 1 0 397.338 4.054 20 0 GIADRO Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182885221 822385875 /nfs/dbraw/zinc/38/58/75/822385875.db2.gz ZKZYHESAGPJOAU-QAPCUYQASA-N 1 0 398.526 4.011 20 0 GIADRO C[C@H](NC(=O)N1CCCCC[C@@H]1c1ccncc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182886748 822386159 /nfs/dbraw/zinc/38/61/59/822386159.db2.gz MIHOCUUMAVUDMW-RCZSKKKRSA-N 1 0 384.568 4.361 20 0 GIADRO CC(C)c1noc(CCC[NH2+][C@@H](C)c2ccc(I)cc2)n1 ZINC000178517115 822387184 /nfs/dbraw/zinc/38/71/84/822387184.db2.gz CHVQBFKXRLYJBS-LBPRGKRZSA-N 1 0 399.276 4.081 20 0 GIADRO CC[C@H](SC)C(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000178521436 822387315 /nfs/dbraw/zinc/38/73/15/822387315.db2.gz GPMUBBSOAOJIOY-KRWDZBQOSA-N 1 0 388.499 4.270 20 0 GIADRO COc1ccc(C[NH2+][C@H](c2cccs2)C(C)(C)CO)c(Br)c1 ZINC000453579726 822387673 /nfs/dbraw/zinc/38/76/73/822387673.db2.gz RUGUWFYZDNCGDO-MRXNPFEDSA-N 1 0 384.339 4.369 20 0 GIADRO COc1cc(C[NH+]2CCC3(CC2)OCCc2ccccc23)cc(Cl)c1OC ZINC000453579855 822387815 /nfs/dbraw/zinc/38/78/15/822387815.db2.gz WWILICRYPZFTKB-UHFFFAOYSA-N 1 0 387.907 4.421 20 0 GIADRO CC(C)C[NH+]1CCC(NC(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)CC1 ZINC000045462895 822388753 /nfs/dbraw/zinc/38/87/53/822388753.db2.gz LLRQMTFFDODYSM-UHFFFAOYSA-N 1 0 397.567 4.297 20 0 GIADRO C[C@@H](O)c1ccc(C[NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)cc1 ZINC000178543509 822390031 /nfs/dbraw/zinc/39/00/31/822390031.db2.gz RNRPMNKWCYFBGZ-UONOGXRCSA-N 1 0 391.309 4.009 20 0 GIADRO Cc1ccc(OC2CCN(C(=O)N[C@@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)CC2)cc1 ZINC000182905823 822390217 /nfs/dbraw/zinc/39/02/17/822390217.db2.gz UIRZHKOKFBLBCI-VQTJNVASSA-N 1 0 399.579 4.201 20 0 GIADRO O=C(Nc1ccc(Cl)nc1)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000178545205 822390285 /nfs/dbraw/zinc/39/02/85/822390285.db2.gz RRRWRYZZOCCFTN-HKUYNNGSSA-N 1 0 384.911 4.253 20 0 GIADRO C[C@@H](O)c1ccc(C[NH2+][C@@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000178555020 822391567 /nfs/dbraw/zinc/39/15/67/822391567.db2.gz MMRDUPBTFNVPDI-UONOGXRCSA-N 1 0 396.409 4.145 20 0 GIADRO C[C@H](O)c1ccc(C[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)cc1 ZINC000178557056 822391853 /nfs/dbraw/zinc/39/18/53/822391853.db2.gz HICCGSLZGNWMJX-HNNXBMFYSA-N 1 0 376.903 4.287 20 0 GIADRO COc1ccc(C[NH2+][C@H](C(C)C)C2(CO)CCCC2)cc1OCc1cccnc1 ZINC000453609656 822392528 /nfs/dbraw/zinc/39/25/28/822392528.db2.gz GTXYMRMYEYYGGS-HSZRJFAPSA-N 1 0 398.547 4.336 20 0 GIADRO O=C(NCCC[NH+](Cc1ccccc1)Cc1ccccc1)NCc1nccs1 ZINC000178574232 822393092 /nfs/dbraw/zinc/39/30/92/822393092.db2.gz FEVOFIVTCKOSLU-UHFFFAOYSA-N 1 0 394.544 4.035 20 0 GIADRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(Cc2ccc(CO)cc2)CC1 ZINC000182922196 822393201 /nfs/dbraw/zinc/39/32/01/822393201.db2.gz CNKDXLCQJJBCTO-UHFFFAOYSA-N 1 0 392.465 4.294 20 0 GIADRO COc1ccccc1CN(C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C1CC1 ZINC000182924893 822393747 /nfs/dbraw/zinc/39/37/47/822393747.db2.gz GDWWDPQDVFCMDI-ROUUACIJSA-N 1 0 385.552 4.022 20 0 GIADRO COc1cccc(C2CCN(C(=O)N[C@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)CC2)c1 ZINC000182927702 822394478 /nfs/dbraw/zinc/39/44/78/822394478.db2.gz NYKSIDAEUYBWSF-WIYYLYMNSA-N 1 0 399.579 4.237 20 0 GIADRO C[C@H](NC(=O)NC[C@H](c1ccsc1)[NH+](C)C)c1ccc(OC(F)F)cc1 ZINC000045541630 822394568 /nfs/dbraw/zinc/39/45/68/822394568.db2.gz GYKDAZFFPNKDCG-BLLLJJGKSA-N 1 0 383.464 4.013 20 0 GIADRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N(C)CCC[NH+](C)C ZINC000182932988 822395279 /nfs/dbraw/zinc/39/52/79/822395279.db2.gz DZKLWENDURTRMM-UHFFFAOYSA-N 1 0 383.496 4.054 20 0 GIADRO C[C@@H]([NH2+]C[C@H](O)c1cc(Cl)c2c(c1)OCCO2)c1ccc2ccccc2n1 ZINC000178604802 822395801 /nfs/dbraw/zinc/39/58/01/822395801.db2.gz HDNWSHTYRXCRHJ-YJYMSZOUSA-N 1 0 384.863 4.044 20 0 GIADRO C[C@](O)(C[NH2+][C@H]1CCCOc2ccc(Br)cc21)c1cccs1 ZINC000178605389 822395839 /nfs/dbraw/zinc/39/58/39/822395839.db2.gz JMVXQHYSICGVBF-YOEHRIQHSA-N 1 0 382.323 4.222 20 0 GIADRO CCOc1cc(C[NH2+]C[C@@H]2CC[C@@H](C)O2)cc(Br)c1OC(F)F ZINC000453635410 822396491 /nfs/dbraw/zinc/39/64/91/822396491.db2.gz UVSBMPPNKJJFMD-PWSUYJOCSA-N 1 0 394.256 4.106 20 0 GIADRO Cc1ccccc1OCCCN(C)C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182941553 822397113 /nfs/dbraw/zinc/39/71/13/822397113.db2.gz MDYFFBLMLWHFOC-UXHICEINSA-N 1 0 387.568 4.058 20 0 GIADRO Brc1ccc(-n2cc(C[NH2+][C@@H]3CCOC4(CCCC4)C3)cn2)cc1 ZINC000178635419 822398285 /nfs/dbraw/zinc/39/82/85/822398285.db2.gz IXSFNWPNTLJJGT-QGZVFWFLSA-N 1 0 390.325 4.216 20 0 GIADRO COc1cc(NC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(OC)cc1Cl ZINC000182949316 822398543 /nfs/dbraw/zinc/39/85/43/822398543.db2.gz OUQHFXQAVWLTQM-ZIAGYGMSSA-N 1 0 395.931 4.132 20 0 GIADRO CCN(Cc1c(F)cccc1F)C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182953973 822399080 /nfs/dbraw/zinc/39/90/80/822399080.db2.gz WGXFDIZROYUCBC-HOTGVXAUSA-N 1 0 379.495 4.149 20 0 GIADRO CCN(Cc1c(F)cccc1F)C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182953937 822399129 /nfs/dbraw/zinc/39/91/29/822399129.db2.gz WGXFDIZROYUCBC-JKSUJKDBSA-N 1 0 379.495 4.149 20 0 GIADRO COc1cccc([C@H](CNC(=O)CC2CCC(C(F)(F)F)CC2)[NH+](C)C)c1 ZINC000182955056 822399373 /nfs/dbraw/zinc/39/93/73/822399373.db2.gz JENUJFIOUZHLIB-PVARCSIZSA-N 1 0 386.458 4.173 20 0 GIADRO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)[C@@H](C)CCc1cccc(F)c1 ZINC000182960385 822400301 /nfs/dbraw/zinc/40/03/01/822400301.db2.gz QXPNSCGGHQNFSC-INIZCTEOSA-N 1 0 385.483 4.066 20 0 GIADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)N[C@@H](Cc2ccccc2)c2cccs2)C1 ZINC000182961215 822400440 /nfs/dbraw/zinc/40/04/40/822400440.db2.gz CBMOFBNTSDEHOX-HSALFYBXSA-N 1 0 383.561 4.158 20 0 GIADRO COc1cc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)ccc1OC1CCCC1 ZINC000045614350 822400459 /nfs/dbraw/zinc/40/04/59/822400459.db2.gz FNZNTTAETPEHLZ-LJQANCHMSA-N 1 0 398.503 4.177 20 0 GIADRO C[C@@H](NC(=O)N1CCC([NH+]2CCCCC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000045625681 822401251 /nfs/dbraw/zinc/40/12/51/822401251.db2.gz SJZHDWPFUHJALQ-OAHLLOKOSA-N 1 0 383.458 4.426 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)N2C[C@@H](C)C[C@@H]2c2cccnc2)c1 ZINC000182976551 822403087 /nfs/dbraw/zinc/40/30/87/822403087.db2.gz QXRNBHQMMHNHBN-PGRDOPGGSA-N 1 0 380.536 4.216 20 0 GIADRO COc1ccc2nc(C3CC3)cc(C(=O)N3CCC[N@@H+](C4CCCC4)CC3)c2c1 ZINC000178691947 822403224 /nfs/dbraw/zinc/40/32/24/822403224.db2.gz YDPOZFNGVIFAOQ-UHFFFAOYSA-N 1 0 393.531 4.211 20 0 GIADRO Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc(OC(F)F)cc3)CC2)nc(C)n1 ZINC000178695226 822403425 /nfs/dbraw/zinc/40/34/25/822403425.db2.gz YQZARMYKCQZGBN-AWEZNQCLSA-N 1 0 376.451 4.014 20 0 GIADRO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(N[C@@H](c2ccc(Cl)cc2)C2CC2)c1 ZINC000183005391 822409535 /nfs/dbraw/zinc/40/95/35/822409535.db2.gz LAOARGSUMINOAS-NHCUHLMSSA-N 1 0 383.923 4.353 20 0 GIADRO Cc1c([C@H](C)[NH2+]CC(=O)Nc2ccc(C)cc2C)cnn1-c1ccc(F)cc1 ZINC000183004719 822409689 /nfs/dbraw/zinc/40/96/89/822409689.db2.gz VNNZJGJISWPUEO-INIZCTEOSA-N 1 0 380.467 4.226 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)N(C)Cc2ccc(Cl)cc2)CC1 ZINC000045756552 822410814 /nfs/dbraw/zinc/41/08/14/822410814.db2.gz CVZWCEMIMWQRQX-UHFFFAOYSA-N 1 0 385.939 4.454 20 0 GIADRO CC(=O)Nc1ccc(C)c(NC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000045756490 822410900 /nfs/dbraw/zinc/41/09/00/822410900.db2.gz RTIQUKJLNXSCTQ-UHFFFAOYSA-N 1 0 394.519 4.048 20 0 GIADRO COc1ccc(F)cc1[C@H](C)NC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000045757514 822411080 /nfs/dbraw/zinc/41/10/80/822411080.db2.gz LYOZIGLSPLMECT-KRWDZBQOSA-N 1 0 399.510 4.168 20 0 GIADRO CC(C)C[C@@H](Cc1cccc(Br)c1)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000178808319 822412490 /nfs/dbraw/zinc/41/24/90/822412490.db2.gz AWVDQYKIMVYDSI-QAPCUYQASA-N 1 0 395.385 4.240 20 0 GIADRO Cc1sc(CCNC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)nc1-c1ccccc1 ZINC000178813661 822412958 /nfs/dbraw/zinc/41/29/58/822412958.db2.gz QBXFIMOIXBCZDJ-YWZLYKJASA-N 1 0 379.529 4.113 20 0 GIADRO C[C@H]([NH3+])C1CCN(C(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)CC1 ZINC000178817923 822413391 /nfs/dbraw/zinc/41/33/91/822413391.db2.gz YLCHNFRPPKGFJJ-HNNXBMFYSA-N 1 0 393.462 4.347 20 0 GIADRO Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000178818856 822413711 /nfs/dbraw/zinc/41/37/11/822413711.db2.gz STBZIGIDBUOORC-JTQLQIEISA-N 1 0 382.291 4.156 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCC[C@@H]2c2ccncc2)C1 ZINC000045788386 822413704 /nfs/dbraw/zinc/41/37/04/822413704.db2.gz BQGZQDYHAZSBFA-WMZHIEFXSA-N 1 0 392.547 4.360 20 0 GIADRO CCN(Cc1ccccc1)C(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000045787639 822413724 /nfs/dbraw/zinc/41/37/24/822413724.db2.gz UOUKPRBUXYIRCD-WOJBJXKFSA-N 1 0 395.547 4.028 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCC[C@@H]3c3ccncc3)cc2)C1 ZINC000045787787 822413732 /nfs/dbraw/zinc/41/37/32/822413732.db2.gz HMWGGOSBORHQLI-WMZHIEFXSA-N 1 0 392.547 4.360 20 0 GIADRO C[C@@H]([NH3+])C1CCN(C(=O)c2ccc(-c3ccc(Br)cc3)s2)CC1 ZINC000178823361 822413875 /nfs/dbraw/zinc/41/38/75/822413875.db2.gz NFNGJUAYFKCYOE-GFCCVEGCSA-N 1 0 393.350 4.377 20 0 GIADRO COC(=O)Nc1ccc(NC(=O)NCc2ccccc2C[N@H+](C)C(C)C)cc1 ZINC000045789674 822413926 /nfs/dbraw/zinc/41/39/26/822413926.db2.gz BXQZODBXSIUTIG-UHFFFAOYSA-N 1 0 384.480 4.027 20 0 GIADRO COc1ccccc1CN(C)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000045789191 822413977 /nfs/dbraw/zinc/41/39/77/822413977.db2.gz OOBUISRFSTYFRI-LJQANCHMSA-N 1 0 395.547 4.269 20 0 GIADRO CCc1cccc(CC)c1NC(=O)CN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000045807099 822415271 /nfs/dbraw/zinc/41/52/71/822415271.db2.gz MYEMLSQHLZCABB-UHFFFAOYSA-N 1 0 385.596 4.338 20 0 GIADRO Cc1cc(C)cc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)c1 ZINC000045812873 822415587 /nfs/dbraw/zinc/41/55/87/822415587.db2.gz JFINNMIMMSRUAO-IRXDYDNUSA-N 1 0 379.504 4.330 20 0 GIADRO Cc1ccccc1CN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000045813145 822415682 /nfs/dbraw/zinc/41/56/82/822415682.db2.gz TXYZWRGVKUDCCN-ZWKOTPCHSA-N 1 0 393.531 4.041 20 0 GIADRO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000045813734 822415861 /nfs/dbraw/zinc/41/58/61/822415861.db2.gz YCTHPURTWIMXHX-KRWDZBQOSA-N 1 0 395.503 4.276 20 0 GIADRO CCN(Cc1ccc(Cl)s1)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000045815151 822416081 /nfs/dbraw/zinc/41/60/81/822416081.db2.gz ACHYAKNBHNXXON-UHFFFAOYSA-N 1 0 395.956 4.074 20 0 GIADRO Cc1cc(OC[C@@H](O)CN2CC[NH+](C3CCCC3)CC2)c(C(C)C)cc1Cl ZINC000045821759 822416764 /nfs/dbraw/zinc/41/67/64/822416764.db2.gz CJFSUYRPGQMVNE-IBGZPJMESA-N 1 0 394.987 4.072 20 0 GIADRO C[C@@H]([NH3+])C1CCN(C(=O)c2cc(-c3ccccc3)nc3cc(F)ccc32)CC1 ZINC000178868812 822417715 /nfs/dbraw/zinc/41/77/15/822417715.db2.gz ZGAGPHOKEYYVFX-OAHLLOKOSA-N 1 0 377.463 4.240 20 0 GIADRO Cc1noc(C)c1[C@H](C)CNC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000178874386 822418088 /nfs/dbraw/zinc/41/80/88/822418088.db2.gz IFBUCJHYASIFKT-QGZVFWFLSA-N 1 0 391.515 4.457 20 0 GIADRO CN(C(=O)c1cccc(C(F)F)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000178877357 822418389 /nfs/dbraw/zinc/41/83/89/822418389.db2.gz DLCSCXKDVJBOEB-UXHICEINSA-N 1 0 393.522 4.033 20 0 GIADRO COc1cc(-c2ccccc2)ccc1C[NH2+]CCc1cccc(C(=O)N(C)C)c1 ZINC000183062509 822419146 /nfs/dbraw/zinc/41/91/46/822419146.db2.gz XDFILBKVMIUNHR-UHFFFAOYSA-N 1 0 388.511 4.396 20 0 GIADRO CC[C@@H](NC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1)c1ccc(C)cc1 ZINC000178889534 822419410 /nfs/dbraw/zinc/41/94/10/822419410.db2.gz IYUWHVIDLXYNPG-XMSQKQJNSA-N 1 0 380.536 4.366 20 0 GIADRO FC(F)(F)Oc1cccc(CC[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c1 ZINC000178912520 822421246 /nfs/dbraw/zinc/42/12/46/822421246.db2.gz XAVPONBLAPXNDY-MRXNPFEDSA-N 1 0 390.409 4.050 20 0 GIADRO CC1CC[NH+](C2CCC(NC(=O)NCCc3c[nH]c4ccccc34)CC2)CC1 ZINC000178912132 822421267 /nfs/dbraw/zinc/42/12/67/822421267.db2.gz WGAMTWJHCDNSER-UHFFFAOYSA-N 1 0 382.552 4.053 20 0 GIADRO COc1cc(-c2ccccc2)ccc1CNc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000183083001 822422451 /nfs/dbraw/zinc/42/24/51/822422451.db2.gz LKPLKBZEOXHKGE-UHFFFAOYSA-N 1 0 389.499 4.135 20 0 GIADRO C[C@H](C(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000183083320 822422486 /nfs/dbraw/zinc/42/24/86/822422486.db2.gz MILFDCRXVGIQSL-KRWDZBQOSA-N 1 0 386.923 4.103 20 0 GIADRO COc1ccc(C(=O)Nc2cccc(C[NH2+]CCCc3ccccn3)c2)cc1 ZINC000178933452 822422729 /nfs/dbraw/zinc/42/27/29/822422729.db2.gz OSDUPJYIQROQSI-UHFFFAOYSA-N 1 0 375.472 4.065 20 0 GIADRO CCN(CC)C(=O)[C@@H](c1ccccc1)[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000045914068 822423380 /nfs/dbraw/zinc/42/33/80/822423380.db2.gz VHHSKFZIQUAEEL-DHIUTWEWSA-N 1 0 380.532 4.042 20 0 GIADRO C[C@@H](CCNC(=O)CCc1ncc(-c2ccccc2Cl)o1)[NH+]1CCCCC1 ZINC000183101618 822424505 /nfs/dbraw/zinc/42/45/05/822424505.db2.gz BRVMFEYGJDPNGL-INIZCTEOSA-N 1 0 389.927 4.308 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1cnc2ccc(F)cc2c1 ZINC000178967313 822425260 /nfs/dbraw/zinc/42/52/60/822425260.db2.gz RJDOWORFXPQAIR-UHFFFAOYSA-N 1 0 381.451 4.347 20 0 GIADRO O=C(CSc1ccccc1)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000045941383 822425817 /nfs/dbraw/zinc/42/58/17/822425817.db2.gz DIDNEWLDGXSIGH-UHFFFAOYSA-N 1 0 397.544 4.232 20 0 GIADRO Cc1cccc(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)c1C ZINC000045941397 822425849 /nfs/dbraw/zinc/42/58/49/822425849.db2.gz IVVXKZVHEBYRCP-UHFFFAOYSA-N 1 0 379.504 4.370 20 0 GIADRO c1ccc(N2CCOCC2)c(C[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)c1 ZINC000178983570 822426234 /nfs/dbraw/zinc/42/62/34/822426234.db2.gz INEUOWVQPVYZGN-QFIPXVFZSA-N 1 0 378.516 4.015 20 0 GIADRO COc1ccc(NC(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)cc1OC ZINC000045958167 822426828 /nfs/dbraw/zinc/42/68/28/822426828.db2.gz KGPXPGGICKLVGP-UHFFFAOYSA-N 1 0 397.519 4.257 20 0 GIADRO COc1ccc(NC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)cc1OC ZINC000045958087 822426858 /nfs/dbraw/zinc/42/68/58/822426858.db2.gz WSLCOOIYNKVHDZ-QGZVFWFLSA-N 1 0 397.519 4.400 20 0 GIADRO CC(C)(C)OC(=O)Nc1cccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000178990457 822427118 /nfs/dbraw/zinc/42/71/18/822427118.db2.gz PPWWIOMFBRXFAL-FXAWDEMLSA-N 1 0 399.535 4.123 20 0 GIADRO O=C(Nc1ccc(Cl)cn1)C1CC[NH+](Cc2cccc3cnccc32)CC1 ZINC000183119920 822427173 /nfs/dbraw/zinc/42/71/73/822427173.db2.gz UMGZURDVHONXDE-UHFFFAOYSA-N 1 0 380.879 4.134 20 0 GIADRO CC(C)[C@@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)NCC(C)(C)C3=CCCC3)c2C1 ZINC000454087115 822427838 /nfs/dbraw/zinc/42/78/38/822427838.db2.gz MCHKKFBSVZNTRC-QGZVFWFLSA-N 1 0 397.563 4.238 20 0 GIADRO C[C@@H](C[NH2+]Cc1cc(Br)cc(C(F)(F)F)c1)Cn1ccnc1 ZINC000179000579 822428330 /nfs/dbraw/zinc/42/83/30/822428330.db2.gz VKUQJACLCXPNSM-NSHDSACASA-N 1 0 376.220 4.090 20 0 GIADRO C[NH2+]C[C@H]1CCN(C(=O)c2sc(-c3ccccc3)nc2-c2ccccc2)C1 ZINC000179003836 822428764 /nfs/dbraw/zinc/42/87/64/822428764.db2.gz FIGFDCSKCQUNHZ-MRXNPFEDSA-N 1 0 377.513 4.159 20 0 GIADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)Nc2ccc3ncsc3c2)CC1 ZINC000179005552 822428828 /nfs/dbraw/zinc/42/88/28/822428828.db2.gz NQAUFEITHXRHBA-AWEZNQCLSA-N 1 0 381.505 4.038 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(C)cc2Cl)cc1 ZINC000183148877 822431445 /nfs/dbraw/zinc/43/14/45/822431445.db2.gz XSEHTMOGNMAPDQ-OAHLLOKOSA-N 1 0 382.895 4.432 20 0 GIADRO CCOc1cc(C[NH2+]Cc2cccc(N(C)C)n2)ccc1OCc1ccccc1 ZINC000179033858 822431881 /nfs/dbraw/zinc/43/18/81/822431881.db2.gz DUOCEYXIPHWBIC-UHFFFAOYSA-N 1 0 391.515 4.415 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc3ncccc32)cc1 ZINC000183152982 822432210 /nfs/dbraw/zinc/43/22/10/822432210.db2.gz ALHSHBHMPGMYGH-IRXDYDNUSA-N 1 0 399.498 4.407 20 0 GIADRO C[C@@H](NC(=O)C[NH2+][C@H](C)c1ccccc1-n1cccn1)c1ccc(Cl)cc1 ZINC000183156506 822432816 /nfs/dbraw/zinc/43/28/16/822432816.db2.gz HXRLOVBDIRXAAZ-HZPDHXFCSA-N 1 0 382.895 4.054 20 0 GIADRO O=C1C[C@@H](C[NH2+]Cc2cc(Cl)cc3cccnc32)CN1Cc1ccccc1 ZINC000179059434 822434371 /nfs/dbraw/zinc/43/43/71/822434371.db2.gz UVVGOWCFBBVPLI-KRWDZBQOSA-N 1 0 379.891 4.027 20 0 GIADRO COc1cc(Cl)c(C)cc1NC(=O)C[NH2+][C@H](C)c1ccccc1-n1cccn1 ZINC000183170660 822434983 /nfs/dbraw/zinc/43/49/83/822434983.db2.gz TZUPPNWWNPCGIF-OAHLLOKOSA-N 1 0 398.894 4.132 20 0 GIADRO C[C@@H](NC(=O)C[NH2+][C@@H](C)c1ccccc1-n1cccn1)c1ccccc1Cl ZINC000183171930 822435286 /nfs/dbraw/zinc/43/52/86/822435286.db2.gz ZLYSRDWDHPWJKT-JKSUJKDBSA-N 1 0 382.895 4.054 20 0 GIADRO C[C@@H](OC[C@@H](O)C[NH2+][C@@H](C)c1ccccc1-n1cccn1)c1ccc(Cl)cc1 ZINC000183172420 822435544 /nfs/dbraw/zinc/43/55/44/822435544.db2.gz AAHFJPKQVINITN-QKLQHJQFSA-N 1 0 399.922 4.315 20 0 GIADRO C[S@](=O)C[C@H]([NH2+]Cc1cccc(NC(=O)OC(C)(C)C)c1)c1ccccc1 ZINC000183176031 822435762 /nfs/dbraw/zinc/43/57/62/822435762.db2.gz CFQPEKQXAZSEQT-PPHZAIPVSA-N 1 0 388.533 4.243 20 0 GIADRO CN(C(=O)Nc1nc2ccccc2s1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000454186068 822436648 /nfs/dbraw/zinc/43/66/48/822436648.db2.gz UADIKQRIKRILIM-UHFFFAOYSA-N 1 0 386.443 4.177 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccccc1COC)c1cccc(OC)c1 ZINC000046032783 822437150 /nfs/dbraw/zinc/43/71/50/822437150.db2.gz IKUUYTJDDGDFKW-NRFANRHFSA-N 1 0 385.508 4.046 20 0 GIADRO CC(C)Cc1ccc([C@H](C)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000179097419 822437907 /nfs/dbraw/zinc/43/79/07/822437907.db2.gz JALIEYKWDRMCHM-IBGZPJMESA-N 1 0 379.548 4.164 20 0 GIADRO O=C(NC1CC[NH+](C2CC2)CC1)N1CCc2ccc(-c3ccccc3)cc2C1 ZINC000454200186 822438060 /nfs/dbraw/zinc/43/80/60/822438060.db2.gz ATNOCDWPJIWFGH-UHFFFAOYSA-N 1 0 375.516 4.048 20 0 GIADRO Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]Cc1ccc(Cn2cncn2)cc1 ZINC000179100306 822438153 /nfs/dbraw/zinc/43/81/53/822438153.db2.gz ANSKEXKDBROQGK-FQEVSTJZSA-N 1 0 382.895 4.292 20 0 GIADRO C[C@H]([NH2+]C[C@H](c1ccccc1Cl)N1CCOCC1)c1ccc(Cl)nc1 ZINC000179100037 822438161 /nfs/dbraw/zinc/43/81/61/822438161.db2.gz JOODDRFZXYZZJA-KBXCAEBGSA-N 1 0 380.319 4.113 20 0 GIADRO C[C@@H]([NH2+]C[C@H](c1ccccc1Cl)N1CCOCC1)c1ccc(Cl)nc1 ZINC000179100046 822438228 /nfs/dbraw/zinc/43/82/28/822438228.db2.gz JOODDRFZXYZZJA-RDTXWAMCSA-N 1 0 380.319 4.113 20 0 GIADRO C[C@@H]([NH2+]C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc(Cl)nc1 ZINC000179105314 822438675 /nfs/dbraw/zinc/43/86/75/822438675.db2.gz GWTYQLASZSVMFD-GFCCVEGCSA-N 1 0 384.833 4.468 20 0 GIADRO CCOc1ccc([C@H](C)NC(=O)C[NH2+][C@@H](c2ccccc2)C2CC2)cc1OC ZINC000179108703 822439074 /nfs/dbraw/zinc/43/90/74/822439074.db2.gz OILKZVDPKFULKM-HJPURHCSSA-N 1 0 382.504 4.012 20 0 GIADRO CN(C(=O)c1oc2ccccc2c1CSc1ccccc1F)[C@@H]1CC[NH2+]C1 ZINC000179113216 822439688 /nfs/dbraw/zinc/43/96/88/822439688.db2.gz VANFPZIKOVXIQC-CQSZACIVSA-N 1 0 384.476 4.298 20 0 GIADRO COc1ccc(-c2ccc(CNC(=O)N3CCC[C@@H]4C[N@H+](C)CC[C@H]43)s2)cc1 ZINC000183197447 822440036 /nfs/dbraw/zinc/44/00/36/822440036.db2.gz RPPOUJTULPKJJK-YLJYHZDGSA-N 1 0 399.560 4.049 20 0 GIADRO C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000179118270 822440106 /nfs/dbraw/zinc/44/01/06/822440106.db2.gz NNQIWZDRNIWQSB-HOTGVXAUSA-N 1 0 386.927 4.403 20 0 GIADRO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)cc1C ZINC000183203437 822441028 /nfs/dbraw/zinc/44/10/28/822441028.db2.gz MUYHTOIBTRYROB-HNNXBMFYSA-N 1 0 394.441 4.183 20 0 GIADRO COc1cc(C)c(NC(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)cc1OC ZINC000454232855 822441409 /nfs/dbraw/zinc/44/14/09/822441409.db2.gz MVIPYGRTSSDPBZ-UHFFFAOYSA-N 1 0 397.519 4.188 20 0 GIADRO C[C@H]([NH2+]CC(C)(C)C(N)=O)c1ccc(-c2ccccc2Br)s1 ZINC000183209237 822441855 /nfs/dbraw/zinc/44/18/55/822441855.db2.gz VIKJAIHGMULLFT-NSHDSACASA-N 1 0 381.339 4.340 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000454241375 822442524 /nfs/dbraw/zinc/44/25/24/822442524.db2.gz BUWLPFAEORORLD-OAQYLSRUSA-N 1 0 379.504 4.312 20 0 GIADRO COc1cc(CN(CCC[NH3+])c2cccc(F)c2)ccc1OCc1ccncc1 ZINC000183220578 822443655 /nfs/dbraw/zinc/44/36/55/822443655.db2.gz CFQYAKIICLDFKV-UHFFFAOYSA-N 1 0 395.478 4.164 20 0 GIADRO CSc1ccc([C@H](CNC(=O)Nc2ccccc2N2CCCC2)[NH+](C)C)cc1 ZINC000454259799 822445118 /nfs/dbraw/zinc/44/51/18/822445118.db2.gz FJMBTRYEPHVFPU-NRFANRHFSA-N 1 0 398.576 4.433 20 0 GIADRO C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000454259570 822445123 /nfs/dbraw/zinc/44/51/23/822445123.db2.gz GYOARCSNFNIHLO-SJLPKXTDSA-N 1 0 397.485 4.066 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)NC[C@@H]3CCCCC3(F)F)c(C)c2)CC1 ZINC000454269652 822446978 /nfs/dbraw/zinc/44/69/78/822446978.db2.gz GLJJEVILDTVWSY-KRWDZBQOSA-N 1 0 394.510 4.084 20 0 GIADRO CO[C@@H]1CCN(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)CC1(C)C ZINC000454274393 822448102 /nfs/dbraw/zinc/44/81/02/822448102.db2.gz VRNWIOBRVYDCIA-GHTZIAJQSA-N 1 0 387.568 4.018 20 0 GIADRO C[C@H](NC(=O)NCc1ccnc(N2CCCCC2)c1)c1ccc(F)cc1Cl ZINC000454274675 822448112 /nfs/dbraw/zinc/44/81/12/822448112.db2.gz JVACVGYJRDVOFB-AWEZNQCLSA-N 1 0 390.890 4.425 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1ccc(NC(=O)C(C)C)cc1 ZINC000046190367 822448486 /nfs/dbraw/zinc/44/84/86/822448486.db2.gz LVBDVVDHYLYMCO-UHFFFAOYSA-N 1 0 397.519 4.254 20 0 GIADRO C[C@@H](NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ncc(Br)s1 ZINC000179189006 822448647 /nfs/dbraw/zinc/44/86/47/822448647.db2.gz QLYFUPQSTCAJNN-HIFRSBDPSA-N 1 0 380.355 4.393 20 0 GIADRO O=C(c1cc(-c2ccccn2)ccc1Cl)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000179191375 822449093 /nfs/dbraw/zinc/44/90/93/822449093.db2.gz IBIAODITYHQDFD-VGSWGCGISA-N 1 0 395.934 4.491 20 0 GIADRO CCOCc1cc(C[N@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)ccc1OC ZINC000179197217 822449441 /nfs/dbraw/zinc/44/94/41/822449441.db2.gz YSXNHEUPXBDJQU-KRWDZBQOSA-N 1 0 380.492 4.005 20 0 GIADRO C[C@@H]1C[C@H](c2cccnc2)N(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000183264848 822450558 /nfs/dbraw/zinc/45/05/58/822450558.db2.gz HDXFXPLAHJHKRR-LVCYWYKZSA-N 1 0 398.576 4.148 20 0 GIADRO c1cc(-c2nc3ccccc3s2)oc1C[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000183272285 822451693 /nfs/dbraw/zinc/45/16/93/822451693.db2.gz DYPFYXVQJRZNSA-UHFFFAOYSA-N 1 0 384.501 4.185 20 0 GIADRO COc1cccc([C@@H]2[C@@H](NC(=O)c3ccc4ncsc4c3)CC[N@@H+]2C2CC2)c1 ZINC000183276736 822452373 /nfs/dbraw/zinc/45/23/73/822452373.db2.gz KGNAWSSFIBUZKV-PZJWPPBQSA-N 1 0 393.512 4.013 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)N2CC[C@@H](C(F)(F)F)C[C@@H]2C)CC1 ZINC000454292480 822452817 /nfs/dbraw/zinc/45/28/17/822452817.db2.gz BXVBFRVAYVGRBD-JKSUJKDBSA-N 1 0 398.473 4.023 20 0 GIADRO C[C@@H]([NH2+]Cc1cc(Br)ccc1OC(F)F)c1cccc(CO)c1 ZINC000183291744 822454015 /nfs/dbraw/zinc/45/40/15/822454015.db2.gz OAZICUOFRDXAJP-LLVKDONJSA-N 1 0 386.236 4.394 20 0 GIADRO COc1ccc([C@H](C[NH2+][C@H](c2ccco2)c2ccccc2)N2CCOCC2)cc1 ZINC000183293923 822454441 /nfs/dbraw/zinc/45/44/41/822454441.db2.gz HVCVZBMFIXIIHH-UPVQGACJSA-N 1 0 392.499 4.041 20 0 GIADRO COc1ccc(CC[NH2+][C@H](C)c2ncc(Br)s2)c(Cl)c1 ZINC000179239797 822455993 /nfs/dbraw/zinc/45/59/93/822455993.db2.gz PVRZHBGJWFXJPJ-SECBINFHSA-N 1 0 375.719 4.461 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)N2CC(c3cccc(C(F)(F)F)c3)C2)c1 ZINC000454314897 822456826 /nfs/dbraw/zinc/45/68/26/822456826.db2.gz DOJQUOVRQXPCJD-UHFFFAOYSA-N 1 0 377.410 4.398 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N[C@H]2CCO[C@@H](c3cccs3)C2)C1 ZINC000454315662 822457126 /nfs/dbraw/zinc/45/71/26/822457126.db2.gz GXMUSQPMEWAWNY-ZSYWTGECSA-N 1 0 393.597 4.026 20 0 GIADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N[C@@H]2CCO[C@@H](c3cccs3)C2)C1 ZINC000454315657 822457157 /nfs/dbraw/zinc/45/71/57/822457157.db2.gz GXMUSQPMEWAWNY-NCXUSEDFSA-N 1 0 393.597 4.026 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)N2CC3(CCC3)[C@@H]2c2ccco2)CC1 ZINC000454336334 822459360 /nfs/dbraw/zinc/45/93/60/822459360.db2.gz ZRMMYSBOSNCDGB-QFIPXVFZSA-N 1 0 393.531 4.489 20 0 GIADRO Cc1cccc(C(=O)NC2CC[NH+](CC3CCCC3)CC2)c1Br ZINC000179271076 822459617 /nfs/dbraw/zinc/45/96/17/822459617.db2.gz JFHTWYRKINBFDG-UHFFFAOYSA-N 1 0 379.342 4.142 20 0 GIADRO C[C@@H]([NH2+]CCOc1c(Cl)cc(Br)cc1Cl)c1nccn1C ZINC000183330688 822459856 /nfs/dbraw/zinc/45/98/56/822459856.db2.gz QZOHIIGCPMRRKD-SECBINFHSA-N 1 0 393.112 4.219 20 0 GIADRO CC(C)CCn1nc(CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)c2ccccc21 ZINC000454349482 822460698 /nfs/dbraw/zinc/46/06/98/822460698.db2.gz APXPTWVUYCTQTL-UHFFFAOYSA-N 1 0 399.583 4.145 20 0 GIADRO COc1cc(OC)c(NC(=O)C[NH2+][C@H](C)[C@@H](C)c2ccccc2)cc1Cl ZINC000183356911 822462998 /nfs/dbraw/zinc/46/29/98/822462998.db2.gz RLDIMUXAAWIHQJ-ZIAGYGMSSA-N 1 0 376.884 4.078 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)N1CCC[C@@]2(CCSC2)C1 ZINC000454371772 822464243 /nfs/dbraw/zinc/46/42/43/822464243.db2.gz IPSGCDOHEBIRFK-OAQYLSRUSA-N 1 0 391.581 4.158 20 0 GIADRO CC1(CNC(=O)CCN2c3ccccc3Sc3ccccc32)CC[NH2+]CC1 ZINC000183365773 822464358 /nfs/dbraw/zinc/46/43/58/822464358.db2.gz NETAZBLNTKHZPB-UHFFFAOYSA-N 1 0 381.545 4.185 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1c(F)cc(F)cc1Br)[C@H](C)c1ccccc1 ZINC000183368774 822464511 /nfs/dbraw/zinc/46/45/11/822464511.db2.gz AFYCLUYHIZBFQT-NWDGAFQWSA-N 1 0 397.263 4.448 20 0 GIADRO C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H](C)C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000183369067 822464797 /nfs/dbraw/zinc/46/47/97/822464797.db2.gz OHRBXGDSCGKDOX-DCAQKATOSA-N 1 0 386.364 4.491 20 0 GIADRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C[C@H](c2cccs2)N2CCCC2)CC1 ZINC000183372145 822465311 /nfs/dbraw/zinc/46/53/11/822465311.db2.gz CSBBBMRSDIZXIJ-QZTJIDSGSA-N 1 0 393.597 4.264 20 0 GIADRO Cc1nc2ccc(NC(=O)N3CC[N@H+](Cc4ccccc4)C[C@H](C)C3)cc2o1 ZINC000454379647 822465661 /nfs/dbraw/zinc/46/56/61/822465661.db2.gz NVQFBPSQPBYMLF-INIZCTEOSA-N 1 0 378.476 4.122 20 0 GIADRO O=C(Nc1c(-c2ccco2)nc2ccccn21)c1cccc(C[NH+]2CCCC2)c1 ZINC000179321393 822465749 /nfs/dbraw/zinc/46/57/49/822465749.db2.gz DGJPTICNUPXPBH-UHFFFAOYSA-N 1 0 386.455 4.442 20 0 GIADRO CC(C)Cc1ccc(C(=O)C2CCN(C(=O)c3c[nH+]ccc3N(C)C)CC2)cc1 ZINC000183383964 822466585 /nfs/dbraw/zinc/46/65/85/822466585.db2.gz OEDCFZFBKQBEFY-UHFFFAOYSA-N 1 0 393.531 4.081 20 0 GIADRO C[C@@H](CCNC(=O)Nc1ccc(N(C)C)cc1C(F)(F)F)[NH+]1CCCCC1 ZINC000183384872 822466863 /nfs/dbraw/zinc/46/68/63/822466863.db2.gz FKHOYPLQVITFLJ-AWEZNQCLSA-N 1 0 386.462 4.157 20 0 GIADRO C[N@@H+]1CCCN(c2ccc(NC(=O)CCSc3ccc(F)cc3)cc2)CC1 ZINC000046403713 822470418 /nfs/dbraw/zinc/47/04/18/822470418.db2.gz GNDJMPPSPXGIDK-UHFFFAOYSA-N 1 0 387.524 4.089 20 0 GIADRO CC(C)OCc1ccc(C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)cc1 ZINC000046404379 822470597 /nfs/dbraw/zinc/47/05/97/822470597.db2.gz LXDATXUXJNLUAJ-UHFFFAOYSA-N 1 0 381.520 4.006 20 0 GIADRO C[N@@H+]1CCCN(c2ccc(NC(=O)Cc3c(Cl)cccc3Cl)cc2)CC1 ZINC000046404237 822470649 /nfs/dbraw/zinc/47/06/49/822470649.db2.gz XSQUKALRKGVLJF-UHFFFAOYSA-N 1 0 392.330 4.317 20 0 GIADRO CCCc1ncc(CNC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)o1 ZINC000454411333 822471284 /nfs/dbraw/zinc/47/12/84/822471284.db2.gz REHQDOJGPOQSSS-UHFFFAOYSA-N 1 0 384.524 4.003 20 0 GIADRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000454412156 822471460 /nfs/dbraw/zinc/47/14/60/822471460.db2.gz UUFNZEJSBMKORV-FQEVSTJZSA-N 1 0 399.560 4.490 20 0 GIADRO COc1cc(-c2ccccc2)ccc1C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000183421103 822472019 /nfs/dbraw/zinc/47/20/19/822472019.db2.gz YNXWYEGUAGDLMP-NRFANRHFSA-N 1 0 388.515 4.280 20 0 GIADRO Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(C[NH+]3CCC(CO)CC3)cc1)CCC2 ZINC000179369747 822472508 /nfs/dbraw/zinc/47/25/08/822472508.db2.gz HZQLYENJSDFTBH-DEOSSOPVSA-N 1 0 392.543 4.007 20 0 GIADRO COc1cccc(COc2cccc(NC(=O)N3CCC([NH+](C)C)CC3)c2C)c1 ZINC000179372609 822472933 /nfs/dbraw/zinc/47/29/33/822472933.db2.gz AAJSFOWVOSGGDR-UHFFFAOYSA-N 1 0 397.519 4.141 20 0 GIADRO C[C@@H](CNC(=O)NCc1ccccc1C[NH+]1CCCCCC1)c1nccs1 ZINC000183436410 822474707 /nfs/dbraw/zinc/47/47/07/822474707.db2.gz NCBXMTBRXGTWPN-KRWDZBQOSA-N 1 0 386.565 4.122 20 0 GIADRO C[C@@H](CCNC(=O)Nc1cccc(OCc2cccnc2)c1)[NH+]1CCCCC1 ZINC000183445905 822476067 /nfs/dbraw/zinc/47/60/67/822476067.db2.gz QTUVOWOVUFUKOU-SFHVURJKSA-N 1 0 382.508 4.047 20 0 GIADRO CCOc1c(Cl)cc(C[NH2+][C@@H](C)c2cnc3cc(C)nn3c2C)cc1OC ZINC000179401366 822477607 /nfs/dbraw/zinc/47/76/07/822477607.db2.gz PECGEHHUFNDOQK-ZDUSSCGKSA-N 1 0 388.899 4.258 20 0 GIADRO Cc1cc2ncc([C@H](C)[NH2+]Cc3ccc(NC(=O)c4ccco4)cc3)c(C)n2n1 ZINC000179411324 822478869 /nfs/dbraw/zinc/47/88/69/822478869.db2.gz CFBAXEPEFMFZAN-HNNXBMFYSA-N 1 0 389.459 4.042 20 0 GIADRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1C ZINC000454461836 822479274 /nfs/dbraw/zinc/47/92/74/822479274.db2.gz SQMZCUDOYPUPOA-HXUWFJFHSA-N 1 0 394.519 4.195 20 0 GIADRO C[C@@H](NC(=O)NCCCCC[NH+]1CCCC1)c1nc(-c2ccccc2)cs1 ZINC000454464345 822479605 /nfs/dbraw/zinc/47/96/05/822479605.db2.gz PYOJOCUDBJVDCQ-QGZVFWFLSA-N 1 0 386.565 4.436 20 0 GIADRO COc1cc([C@@H](C)[NH2+]Cc2cccc3nccn32)ccc1OCc1ccncc1 ZINC000179418366 822479716 /nfs/dbraw/zinc/47/97/16/822479716.db2.gz IBKAGLDWCGAPSU-QGZVFWFLSA-N 1 0 388.471 4.168 20 0 GIADRO CCC[C@@H]1C[C@H](C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CCO1 ZINC000183472335 822480485 /nfs/dbraw/zinc/48/04/85/822480485.db2.gz XHFCNOOFNBOKTJ-YLJYHZDGSA-N 1 0 378.944 4.016 20 0 GIADRO O=C(C[NH+]1CCCCCCC1)Nc1ccc(NCc2cccc3nccn32)cc1 ZINC000179430106 822481426 /nfs/dbraw/zinc/48/14/26/822481426.db2.gz ALRJOTWBIZGBJE-UHFFFAOYSA-N 1 0 391.519 4.151 20 0 GIADRO COc1cc(F)cc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)c1 ZINC000179432708 822481761 /nfs/dbraw/zinc/48/17/61/822481761.db2.gz DYMMSACEEGTLSF-UHFFFAOYSA-N 1 0 388.446 4.372 20 0 GIADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3cc(F)c(OC(C)(C)C)c(F)c3)CC[C@H]21 ZINC000183479549 822482381 /nfs/dbraw/zinc/48/23/81/822482381.db2.gz KDZXPPGHGMBLOH-CXAGYDPISA-N 1 0 381.467 4.090 20 0 GIADRO O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)NC1CC[NH+](CC2CC2)CC1 ZINC000179444675 822483977 /nfs/dbraw/zinc/48/39/77/822483977.db2.gz BUDQQDDXSROZHJ-LJQANCHMSA-N 1 0 395.469 4.330 20 0 GIADRO Cc1cnc([C@H](C)CNC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)s1 ZINC000183493641 822485302 /nfs/dbraw/zinc/48/53/02/822485302.db2.gz DPNSEWGOTHNJBZ-WBVHZDCISA-N 1 0 386.565 4.080 20 0 GIADRO C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000179455823 822485686 /nfs/dbraw/zinc/48/56/86/822485686.db2.gz FDGDCNVDSSEPLL-AWEZNQCLSA-N 1 0 385.414 4.169 20 0 GIADRO CC(C)(CNC(=O)NC1CC[NH+](C2CCC2)CC1)c1ccc(F)cc1Cl ZINC000454501704 822485943 /nfs/dbraw/zinc/48/59/43/822485943.db2.gz SBGJNUBTRSPVKY-UHFFFAOYSA-N 1 0 381.923 4.073 20 0 GIADRO COc1ccc(COCC[NH2+][C@@H](C)c2sc(-c3cccnc3)nc2C)cc1 ZINC000179463507 822486497 /nfs/dbraw/zinc/48/64/97/822486497.db2.gz GLEWLUQSVLWVGI-HNNXBMFYSA-N 1 0 383.517 4.390 20 0 GIADRO COc1cc(F)c([C@H](C)[NH2+]CCC(=O)Nc2cccc(Cl)c2)cc1OC ZINC000183502353 822486925 /nfs/dbraw/zinc/48/69/25/822486925.db2.gz KZXIKTQBYHJZSP-LBPRGKRZSA-N 1 0 380.847 4.176 20 0 GIADRO CC(C)CC(=O)Nc1ccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc1 ZINC000179470260 822487515 /nfs/dbraw/zinc/48/75/15/822487515.db2.gz VJNRODMSBLCVTP-IFMALSPDSA-N 1 0 394.519 4.238 20 0 GIADRO Cc1coc(-c2cccc(NC(=O)N[C@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)c2)n1 ZINC000183519196 822488975 /nfs/dbraw/zinc/48/89/75/822488975.db2.gz UOZYRNMMFKMIKQ-SJLPKXTDSA-N 1 0 382.508 4.425 20 0 GIADRO Cc1coc(-c2cccc(NC(=O)N[C@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)c2)n1 ZINC000183519242 822489068 /nfs/dbraw/zinc/48/90/68/822489068.db2.gz UOZYRNMMFKMIKQ-AEFFLSMTSA-N 1 0 382.508 4.425 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCC[C@]3(CCSC3)C2)CC1 ZINC000454519004 822489921 /nfs/dbraw/zinc/48/99/21/822489921.db2.gz OBKKMTGJJFKFBV-AVRDEDQJSA-N 1 0 387.593 4.141 20 0 GIADRO C[C@@H]([NH2+][C@@H](CNC(=O)OC(C)(C)C)c1ccc2ccccc2c1)c1cnn(C)c1 ZINC000179495032 822490781 /nfs/dbraw/zinc/49/07/81/822490781.db2.gz PQHJDXWKZBJBPD-IERDGZPVSA-N 1 0 394.519 4.490 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@H]2CCCN(Cc3ccccc3)C2=O)ccc1SC ZINC000179496883 822491164 /nfs/dbraw/zinc/49/11/64/822491164.db2.gz YLHRZBSNYFWJOV-APWZRJJASA-N 1 0 384.545 4.259 20 0 GIADRO O=C(Nc1ccc(COc2ccccc2)cc1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000179498155 822491654 /nfs/dbraw/zinc/49/16/54/822491654.db2.gz VXZWBMCZUXNGKV-NRFANRHFSA-N 1 0 379.504 4.358 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2F)C1)c1ncc(Br)s1 ZINC000179500389 822492117 /nfs/dbraw/zinc/49/21/17/822492117.db2.gz UAOGNYPHLLDJCY-VXGBXAGGSA-N 1 0 384.318 4.364 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000179504000 822492498 /nfs/dbraw/zinc/49/24/98/822492498.db2.gz YYJAQEMCUPLIRY-CWTRNNRKSA-N 1 0 391.874 4.147 20 0 GIADRO C[C@H](NC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(OC(F)F)cc1 ZINC000046612963 822492547 /nfs/dbraw/zinc/49/25/47/822492547.db2.gz YJZPODYCECBQKW-CVEARBPZSA-N 1 0 383.483 4.160 20 0 GIADRO COc1ccc(C[C@@H](C)C[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)cc1OC ZINC000179507894 822493203 /nfs/dbraw/zinc/49/32/03/822493203.db2.gz XVSVDNDZBKOCIS-IAGOWNOFSA-N 1 0 398.503 4.190 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@H](C)Cn2ncc3ccccc3c2=O)c2ccccc12 ZINC000179515448 822494611 /nfs/dbraw/zinc/49/46/11/822494611.db2.gz JKXYSEYLOFHGOA-SJORKVTESA-N 1 0 387.483 4.298 20 0 GIADRO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H](C)c1cccc(-c2ccncc2)c1 ZINC000179516965 822495108 /nfs/dbraw/zinc/49/51/08/822495108.db2.gz BNPFTRUEYFWKFD-MSOLQXFVSA-N 1 0 384.483 4.198 20 0 GIADRO Cc1cc2cc([C@H](C)[NH2+][C@H](C)Cn3ncc4ccccc4c3=O)oc2cc1C ZINC000179517113 822495277 /nfs/dbraw/zinc/49/52/77/822495277.db2.gz TXQHLCCVIDTHAW-SJORKVTESA-N 1 0 375.472 4.499 20 0 GIADRO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@@H](C)Cn1ncc2ccccc2c1=O ZINC000179518163 822495791 /nfs/dbraw/zinc/49/57/91/822495791.db2.gz IFEYOOLQQSNMJD-KBPBESRZSA-N 1 0 384.549 4.198 20 0 GIADRO Cc1nc2c(s1)[C@@H]([NH2+][C@@H]1CCN(c3ccc(Cl)c(F)c3)C1=O)CCC2 ZINC000179520268 822495962 /nfs/dbraw/zinc/49/59/62/822495962.db2.gz OZHIRPAWVLQQRS-JKSUJKDBSA-N 1 0 379.888 4.017 20 0 GIADRO COCCOc1ccc([C@H](C)[NH2+][C@@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000179523476 822496601 /nfs/dbraw/zinc/49/66/01/822496601.db2.gz XIVWGJNGJGVOEP-ITEAAPOESA-N 1 0 390.474 4.086 20 0 GIADRO C[C@@H](NC(=O)C[NH2+][C@H](C)c1cccc(-n2cccn2)c1)c1ccc(Cl)cc1 ZINC000183585830 822497763 /nfs/dbraw/zinc/49/77/63/822497763.db2.gz RLMXQXIGAWAWGC-HZPDHXFCSA-N 1 0 382.895 4.054 20 0 GIADRO C[C@@H]1C[C@@H]1[C@@H](NC(=O)NC1CC[NH+](C2CCC2)CC1)c1ccc(Cl)cc1 ZINC000454567440 822497933 /nfs/dbraw/zinc/49/79/33/822497933.db2.gz PWBAMHVHNDMWHD-UAOJZALGSA-N 1 0 375.944 4.353 20 0 GIADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCc1csc(C(C)(C)C)n1 ZINC000179535933 822499305 /nfs/dbraw/zinc/49/93/05/822499305.db2.gz UMEOJIBUFHUCCJ-GFCCVEGCSA-N 1 0 380.945 4.038 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)CO[C@@H](C)c1ccc(Cl)cc1)c1cccc(-n2cccn2)c1 ZINC000183603447 822500179 /nfs/dbraw/zinc/50/01/79/822500179.db2.gz NNZIUBISIVAVAO-PNLZDCPESA-N 1 0 399.922 4.315 20 0 GIADRO CC(C)[C@@H]([NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1nc(C2CC2)no1 ZINC000183604913 822500181 /nfs/dbraw/zinc/50/01/81/822500181.db2.gz OKUPPAGSWUCFIG-HZPDHXFCSA-N 1 0 378.517 4.023 20 0 GIADRO Cc1ccc(NC(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c(C)n1 ZINC000179546333 822500897 /nfs/dbraw/zinc/50/08/97/822500897.db2.gz ATYLCBIVMRGEPY-HNAYVOBHSA-N 1 0 390.890 4.305 20 0 GIADRO CCCC(=O)Nc1cccc(NC(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)c1C ZINC000454586503 822501545 /nfs/dbraw/zinc/50/15/45/822501545.db2.gz IWFSLNOAPFCEQQ-SFHVURJKSA-N 1 0 388.556 4.366 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1cccc(NC(=O)NC(C)C)c1)c1ccccc1 ZINC000046671993 822501909 /nfs/dbraw/zinc/50/19/09/822501909.db2.gz AZDBXYSOVPOAGT-NRFANRHFSA-N 1 0 396.535 4.029 20 0 GIADRO Cc1nc(C(F)(F)F)c(C[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)s1 ZINC000183643140 822505627 /nfs/dbraw/zinc/50/56/27/822505627.db2.gz UCVNWRWBTXULJL-NSHDSACASA-N 1 0 383.439 4.448 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(C)c2C)cc1 ZINC000183672263 822508912 /nfs/dbraw/zinc/50/89/12/822508912.db2.gz WBRPAPGVZCWKJS-ZWKOTPCHSA-N 1 0 376.504 4.475 20 0 GIADRO C[C@H]([NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1)c1ccc(-n2cnnn2)cc1 ZINC000179597793 822509807 /nfs/dbraw/zinc/50/98/07/822509807.db2.gz RCRHHZADDSEFKI-ORAYPTAESA-N 1 0 387.409 4.483 20 0 GIADRO CCN(Cc1cccc(F)c1)C(=O)C[NH2+][C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000183676444 822509835 /nfs/dbraw/zinc/50/98/35/822509835.db2.gz IYDPASDSUUMAQJ-QGZVFWFLSA-N 1 0 394.494 4.019 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(C)cc2F)cc1 ZINC000183682305 822510422 /nfs/dbraw/zinc/51/04/22/822510422.db2.gz QKVDQGOUZDMJSA-HOTGVXAUSA-N 1 0 380.467 4.306 20 0 GIADRO COCc1cc([C@H](C)[NH2+][C@@H](CC(C)C)C(=O)Nc2nccs2)ccc1OC ZINC000179601092 822510493 /nfs/dbraw/zinc/51/04/93/822510493.db2.gz LHXVQRADVLYTBZ-YOEHRIQHSA-N 1 0 391.537 4.002 20 0 GIADRO C[C@@H](Oc1ccccc1Cl)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000046729319 822510600 /nfs/dbraw/zinc/51/06/00/822510600.db2.gz MWYXAHLJTBNZAV-GDBMZVCRSA-N 1 0 378.925 4.122 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)c1ccc2c(c1)OCCO2)C1CCCCC1 ZINC000046735447 822511412 /nfs/dbraw/zinc/51/14/12/822511412.db2.gz PKUOXPKYSZQJHL-UHFFFAOYSA-N 1 0 380.488 4.475 20 0 GIADRO CC(=O)c1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000183689582 822511861 /nfs/dbraw/zinc/51/18/61/822511861.db2.gz GGJFNYRNSHKPPP-CVEARBPZSA-N 1 0 390.487 4.061 20 0 GIADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)C1 ZINC000046752069 822513105 /nfs/dbraw/zinc/51/31/05/822513105.db2.gz NIHRVXFSLMBWAM-MOPGFXCFSA-N 1 0 398.551 4.229 20 0 GIADRO Cc1noc2nc(C3CC3)cc(C(=O)NCc3ccccc3C[N@@H+](C)C(C)C)c12 ZINC000046757158 822513920 /nfs/dbraw/zinc/51/39/20/822513920.db2.gz DWEPUCCVNXKREK-UHFFFAOYSA-N 1 0 392.503 4.179 20 0 GIADRO COc1cc(C)c([C@@H](C)[NH2+]CC(=O)Nc2ccc(C)cc2Cl)cc1OC ZINC000179618499 822513962 /nfs/dbraw/zinc/51/39/62/822513962.db2.gz OIQXQSSNWOAGIS-CQSZACIVSA-N 1 0 376.884 4.263 20 0 GIADRO C[C@H](CCNC(=O)Nc1cccc(C[S@](=O)C(C)(C)C)c1)[NH+]1CCCCC1 ZINC000183703239 822514049 /nfs/dbraw/zinc/51/40/49/822514049.db2.gz FZCTWEUCFLQQGF-CRYYWNKWSA-N 1 0 393.597 4.120 20 0 GIADRO CCNC(=O)c1cccc(NC(=O)C[NH2+][C@@H](c2ccccc2Cl)C(C)C)c1 ZINC000183702593 822514076 /nfs/dbraw/zinc/51/40/76/822514076.db2.gz MAGKIYKMOHGZSC-HXUWFJFHSA-N 1 0 387.911 4.015 20 0 GIADRO CCc1cccc(CC)c1NC(=O)C[NH2+][C@H](C)c1cc(OC)c(OC)cc1C ZINC000179619512 822514171 /nfs/dbraw/zinc/51/41/71/822514171.db2.gz BLFZOVVXTFERIU-MRXNPFEDSA-N 1 0 384.520 4.426 20 0 GIADRO COc1cc(C)c([C@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2C)cc1OC ZINC000179620994 822514377 /nfs/dbraw/zinc/51/43/77/822514377.db2.gz XUKMJPJXMFFQQE-AWEZNQCLSA-N 1 0 376.884 4.263 20 0 GIADRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N(C)Cc2nc3ccccc3s2)C1 ZINC000046763195 822514476 /nfs/dbraw/zinc/51/44/76/822514476.db2.gz TZKQAWTWJLYRTA-IRXDYDNUSA-N 1 0 388.581 4.196 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N(C)Cc2ccc(OC(F)F)cc2)C1 ZINC000046762368 822514528 /nfs/dbraw/zinc/51/45/28/822514528.db2.gz BZNLTSKKXNNZKQ-CALCHBBNSA-N 1 0 397.510 4.188 20 0 GIADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N(C)Cc2nc3ccccc3s2)C1 ZINC000046763198 822514719 /nfs/dbraw/zinc/51/47/19/822514719.db2.gz TZKQAWTWJLYRTA-IAGOWNOFSA-N 1 0 388.581 4.196 20 0 GIADRO Fc1ccc([C@H]([NH2+][C@@H]2CCN(c3c(F)cccc3F)C2)c2ccccc2)nc1 ZINC000183709004 822514893 /nfs/dbraw/zinc/51/48/93/822514893.db2.gz NFISRCSBLGJXHL-DYESRHJHSA-N 1 0 383.417 4.457 20 0 GIADRO COc1cc(C)c([C@@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2F)cc1OC ZINC000179629039 822515834 /nfs/dbraw/zinc/51/58/34/822515834.db2.gz BBUYGWYMECQTRI-GFCCVEGCSA-N 1 0 380.847 4.094 20 0 GIADRO O=C(NC[C@@H]1CCCO1)c1cccc(C[NH2+]C2c3ccccc3-c3ccccc32)c1 ZINC000183716377 822515941 /nfs/dbraw/zinc/51/59/41/822515941.db2.gz QDWGOTSMZZNRQE-FQEVSTJZSA-N 1 0 398.506 4.455 20 0 GIADRO CCCC(=O)Nc1ccc(Cl)c(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c1 ZINC000179631298 822516224 /nfs/dbraw/zinc/51/62/24/822516224.db2.gz HETMLZHMQMVWDG-MRXNPFEDSA-N 1 0 392.931 4.171 20 0 GIADRO Cc1ccc([C@@H]2OCCC[C@H]2C[NH2+]Cc2cncc(Br)c2)cc1 ZINC000183723929 822517000 /nfs/dbraw/zinc/51/70/00/822517000.db2.gz ADPDPKDZUYXXAO-HKUYNNGSSA-N 1 0 375.310 4.410 20 0 GIADRO CCc1noc(C2CCC([NH2+]CCc3ccc(F)c(Br)c3)CC2)n1 ZINC000183735650 822519129 /nfs/dbraw/zinc/51/91/29/822519129.db2.gz VINLIBDKGOEVIH-UHFFFAOYSA-N 1 0 396.304 4.392 20 0 GIADRO Cc1c([C@@H](C)[NH2+]Cc2ccc(N3CCOC3=O)cc2)cnn1-c1ccc(F)cc1 ZINC000183738769 822519617 /nfs/dbraw/zinc/51/96/17/822519617.db2.gz WCHOZIUODUUHNH-OAHLLOKOSA-N 1 0 394.450 4.127 20 0 GIADRO COc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@H](C)c2cccc(C)c2C)cc1OC ZINC000183739613 822519862 /nfs/dbraw/zinc/51/98/62/822519862.db2.gz QMLWXKCGVIBCNK-NQIIRXRSSA-N 1 0 396.531 4.335 20 0 GIADRO CCN(CC)C(=O)c1ccc(NC(=O)C[NH2+]C2(c3cccc(Cl)c3)CC2)cc1 ZINC000179668843 822523623 /nfs/dbraw/zinc/52/36/23/822523623.db2.gz CBSDRBNFZDTSMU-UHFFFAOYSA-N 1 0 399.922 4.039 20 0 GIADRO Cc1cc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)nn1-c1ccc(Cl)cc1Cl ZINC000179674331 822524497 /nfs/dbraw/zinc/52/44/97/822524497.db2.gz JGHKHNSPFQIFJD-DOMZBBRYSA-N 1 0 395.334 4.042 20 0 GIADRO CC(C)(C)OC(=O)NC[C@H]([NH2+]CCCn1ccnc1)c1ccc2ccccc2c1 ZINC000179675068 822524571 /nfs/dbraw/zinc/52/45/71/822524571.db2.gz DRAKPHOOTIPBRS-NRFANRHFSA-N 1 0 394.519 4.282 20 0 GIADRO Cc1cc2cc(NC(=O)N(C)C3CC[NH+](CCC(F)(F)F)CC3)ccc2[nH]1 ZINC000454732198 822524666 /nfs/dbraw/zinc/52/46/66/822524666.db2.gz OVYJGNFGMLMNDW-UHFFFAOYSA-N 1 0 382.430 4.357 20 0 GIADRO O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)NCC[NH+]1CCCCC1 ZINC000046854085 822524712 /nfs/dbraw/zinc/52/47/12/822524712.db2.gz MYHCMLQJLVPXJU-UHFFFAOYSA-N 1 0 396.318 4.183 20 0 GIADRO C[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@](C)(F)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000454735491 822525148 /nfs/dbraw/zinc/52/51/48/822525148.db2.gz MWBJBJDUNBYJGP-BJZITVGISA-N 1 0 385.886 4.006 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(-c4ccccc4)no3)c(C)c2)CC1 ZINC000046865180 822525396 /nfs/dbraw/zinc/52/53/96/822525396.db2.gz FYMSZKKJXRPNEA-UHFFFAOYSA-N 1 0 390.487 4.044 20 0 GIADRO COc1ccc([C@H]([NH2+][C@@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)C2CC2)cc1 ZINC000179687013 822527419 /nfs/dbraw/zinc/52/74/19/822527419.db2.gz AMKMRYNUOSXACA-GAJHUEQPSA-N 1 0 393.531 4.363 20 0 GIADRO Cc1cccc(NC(=O)C[NH2+][C@H](C)c2cccc(OCc3ccccn3)c2)c1 ZINC000179688870 822527994 /nfs/dbraw/zinc/52/79/94/822527994.db2.gz CQQHXBGSYNRXNG-GOSISDBHSA-N 1 0 375.472 4.258 20 0 GIADRO C[C@@H](NC(=O)C[NH2+][C@@H](C)c1cccc(OCc2ccccn2)c1)c1cccs1 ZINC000179694304 822528871 /nfs/dbraw/zinc/52/88/71/822528871.db2.gz POYGOKAIGCJZLF-DLBZAZTESA-N 1 0 395.528 4.250 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)c1cc(F)ccc1F)c1cccc(OCc2ccccn2)c1 ZINC000179694727 822529111 /nfs/dbraw/zinc/52/91/11/822529111.db2.gz PYLNFIYKWMTEMJ-IVZQSRNASA-N 1 0 384.426 4.323 20 0 GIADRO C[C@H]([NH2+]CC(=O)N(C1CC1)C1CCCC1)c1cccc(OCc2ccccn2)c1 ZINC000179697035 822529439 /nfs/dbraw/zinc/52/94/39/822529439.db2.gz ZXKULONDYAMJQS-SFHVURJKSA-N 1 0 393.531 4.245 20 0 GIADRO C[C@@H]([NH2+]Cc1cnn(C)c1C(F)(F)F)c1cccc(OCc2ccccn2)c1 ZINC000179697212 822529764 /nfs/dbraw/zinc/52/97/64/822529764.db2.gz VOHZDTSCSMKVKM-CQSZACIVSA-N 1 0 390.409 4.264 20 0 GIADRO Cc1ccc(NC(=O)C[NH2+]C2(c3cccc(F)c3)CC2)c(Br)c1 ZINC000179697875 822529801 /nfs/dbraw/zinc/52/98/01/822529801.db2.gz HSKGNAIJIHLESN-UHFFFAOYSA-N 1 0 377.257 4.114 20 0 GIADRO C[C@H](NC(=O)N(C)Cc1c(F)cccc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000454763698 822530007 /nfs/dbraw/zinc/53/00/07/822530007.db2.gz HGEQJNMVHVCZJB-WMZOPIPTSA-N 1 0 387.474 4.017 20 0 GIADRO COc1cc([C@@H](C)[NH2+]C[C@@H](O)c2ccc(F)cc2)ccc1OCc1ccncc1 ZINC000179702862 822530861 /nfs/dbraw/zinc/53/08/61/822530861.db2.gz URZFQPCAVMXKOH-IIBYNOLFSA-N 1 0 396.462 4.193 20 0 GIADRO COc1cc(C[N@@H+]2CCC[C@H]2c2cccn2C)ccc1OCc1ccncc1 ZINC000179704964 822531547 /nfs/dbraw/zinc/53/15/47/822531547.db2.gz UOYBBLVZIRXGND-NRFANRHFSA-N 1 0 377.488 4.345 20 0 GIADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2ccc(Br)cc2C(F)(F)F)C1 ZINC000179707782 822532012 /nfs/dbraw/zinc/53/20/12/822532012.db2.gz QYPAXIZAZMFVIE-VXGBXAGGSA-N 1 0 393.247 4.071 20 0 GIADRO Brc1ccc2[nH]c(C[NH2+]Cc3c[nH]nc3-c3cccnc3)cc2c1 ZINC000183821457 822532064 /nfs/dbraw/zinc/53/20/64/822532064.db2.gz JOBGDFDBZARBSL-UHFFFAOYSA-N 1 0 382.265 4.005 20 0 GIADRO COc1ccc(C[NH2+]Cc2cc3cc(Br)ccc3[nH]2)c(OC)c1 ZINC000183821846 822532164 /nfs/dbraw/zinc/53/21/64/822532164.db2.gz VPMDYLGWHQGNFX-UHFFFAOYSA-N 1 0 375.266 4.237 20 0 GIADRO C[NH+]1CCN(Cc2ccc(NC(=O)c3cc(Cl)sc3Cl)cc2)CC1 ZINC000046933812 822532285 /nfs/dbraw/zinc/53/22/85/822532285.db2.gz JQZJFVDAHFEMOC-UHFFFAOYSA-N 1 0 384.332 4.055 20 0 GIADRO C[NH+]1CCN(Cc2ccc(NC(=O)c3ccc(SC(F)F)cc3)cc2)CC1 ZINC000046934055 822532422 /nfs/dbraw/zinc/53/24/22/822532422.db2.gz XDDCEJCWGUUBON-UHFFFAOYSA-N 1 0 391.487 4.001 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3CC(=O)Nc4cc(F)ccc43)cc2)C1 ZINC000046934695 822532629 /nfs/dbraw/zinc/53/26/29/822532629.db2.gz VFFZZXSGGJNSSH-MGPUTAFESA-N 1 0 395.478 4.122 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cc4ccccc4c(=O)[nH]3)cc2)C1 ZINC000046934420 822532666 /nfs/dbraw/zinc/53/26/66/822532666.db2.gz RQNVRVAGTCKBAG-MRXNPFEDSA-N 1 0 375.472 4.012 20 0 GIADRO O=C(Nc1ccc(C(F)(F)F)cc1Cl)NC1CC[NH+](C2CCC2)CC1 ZINC000454781026 822532752 /nfs/dbraw/zinc/53/27/52/822532752.db2.gz WHUVIKDUKAGLDE-UHFFFAOYSA-N 1 0 375.822 4.497 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3ccccc3SCC#N)cc2)C1 ZINC000046935390 822532853 /nfs/dbraw/zinc/53/28/53/822532853.db2.gz RMZQEJAAGCAOGH-SFHVURJKSA-N 1 0 393.556 4.464 20 0 GIADRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3cc(Cl)sc3Cl)cc2)CC1 ZINC000046939432 822532995 /nfs/dbraw/zinc/53/29/95/822532995.db2.gz ZASWCXJZHIYGAM-UHFFFAOYSA-N 1 0 398.359 4.445 20 0 GIADRO COCc1c(C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)sc2cccc(F)c21 ZINC000046954065 822533643 /nfs/dbraw/zinc/53/36/43/822533643.db2.gz FUFCIIMSBFOXQN-KGLIPLIRSA-N 1 0 378.513 4.037 20 0 GIADRO CC(C)C[C@@H]([NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000179719100 822534767 /nfs/dbraw/zinc/53/47/67/822534767.db2.gz DBFUTQAUIXBLDO-WOJBJXKFSA-N 1 0 395.952 4.154 20 0 GIADRO Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)NCCCCC[NH+]1CCCC1 ZINC000454791533 822534894 /nfs/dbraw/zinc/53/48/94/822534894.db2.gz RYUNCNFIFCZICJ-UHFFFAOYSA-N 1 0 388.556 4.367 20 0 GIADRO Cc1cccc(-c2nn(Cc3ccccc3)cc2C[NH+]2CCC(C)(O)CC2)c1 ZINC000179722451 822535369 /nfs/dbraw/zinc/53/53/69/822535369.db2.gz BXAOYNPCCYVTLF-UHFFFAOYSA-N 1 0 375.516 4.254 20 0 GIADRO COC(=O)COc1ccccc1[C@H](C)[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000183847639 822535532 /nfs/dbraw/zinc/53/55/32/822535532.db2.gz NIBTVVDVPSHOML-DHUIEDIVSA-N 1 0 389.879 4.073 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccnc1Cl)c1ccccc1OC(F)F ZINC000179723712 822535579 /nfs/dbraw/zinc/53/55/79/822535579.db2.gz IMOJSLWDJURISO-AAEUAGOBSA-N 1 0 383.826 4.404 20 0 GIADRO CC[C@H]([NH2+]C[C@H]1CN(c2ccccc2)C(=O)O1)c1ccccc1OC(F)F ZINC000179725100 822535704 /nfs/dbraw/zinc/53/57/04/822535704.db2.gz VEIZOCRYUUMUPY-RDJZCZTQSA-N 1 0 376.403 4.354 20 0 GIADRO Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000046996694 822536525 /nfs/dbraw/zinc/53/65/25/822536525.db2.gz FCDKRCDSEGUMDA-HZPDHXFCSA-N 1 0 375.925 4.129 20 0 GIADRO OCCC[C@H]([NH2+]C[C@@H](O)Cn1c2ccccc2c2ccccc21)c1ccccc1 ZINC000179729852 822536881 /nfs/dbraw/zinc/53/68/81/822536881.db2.gz RVIBJQVXIMSXDJ-OFNKIYASSA-N 1 0 388.511 4.259 20 0 GIADRO Cc1ccc(-c2cnc(CCC(=O)NCCCC[NH+]3C[C@@H](C)C[C@H](C)C3)o2)cc1 ZINC000047039190 822539147 /nfs/dbraw/zinc/53/91/47/822539147.db2.gz XVRMEWKJTIYYLZ-PMACEKPBSA-N 1 0 397.563 4.457 20 0 GIADRO CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000179739044 822539652 /nfs/dbraw/zinc/53/96/52/822539652.db2.gz ASPZRXDUOJCYPL-GOSISDBHSA-N 1 0 397.519 4.007 20 0 GIADRO O=C(C[NH2+][C@H](CCCO)c1ccccc1)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000179741233 822540288 /nfs/dbraw/zinc/54/02/88/822540288.db2.gz MRALJKAOEASLOQ-ISKFKSNPSA-N 1 0 398.522 4.277 20 0 GIADRO CCOc1ccccc1[C@@H](CC)[NH2+][C@H](C)C(=O)Nc1ccc(OC)cc1OC ZINC000179740885 822540368 /nfs/dbraw/zinc/54/03/68/822540368.db2.gz SRBUNXLEPAHFQR-CRAIPNDOSA-N 1 0 386.492 4.170 20 0 GIADRO CC(C)c1cnc(-c2ccc(NC(=O)N3CC[C@]4(C3)CCC[N@H+](C)C4)cc2)o1 ZINC000454822852 822540992 /nfs/dbraw/zinc/54/09/92/822540992.db2.gz WGYGKZDKUUWMQT-JOCHJYFZSA-N 1 0 382.508 4.415 20 0 GIADRO C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000179743186 822541069 /nfs/dbraw/zinc/54/10/69/822541069.db2.gz YTGOTYRVIFESGI-JTSKRJEESA-N 1 0 396.510 4.230 20 0 GIADRO COc1c(C)cc(C(=O)N[C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)cc1C ZINC000179743537 822541237 /nfs/dbraw/zinc/54/12/37/822541237.db2.gz XVPVYMLDBGBQEM-HXUWFJFHSA-N 1 0 394.515 4.030 20 0 GIADRO c1ccc(-c2noc(CCC[NH2+][C@H](c3ccc4c(c3)OCCO4)C3CC3)n2)cc1 ZINC000179744899 822541480 /nfs/dbraw/zinc/54/14/80/822541480.db2.gz SKQFHYWJKFXNSK-QFIPXVFZSA-N 1 0 391.471 4.181 20 0 GIADRO Cc1ccc(-c2noc(CCC[NH2+][C@H](CCCO)c3ccccc3)n2)cc1F ZINC000179745692 822541608 /nfs/dbraw/zinc/54/16/08/822541608.db2.gz FYMJCRSEVFQYME-HXUWFJFHSA-N 1 0 383.467 4.220 20 0 GIADRO C[C@@H](Nc1cccc(C[NH+]2CCCCC2)c1)c1ccc(NS(C)(=O)=O)cc1 ZINC000179754510 822543627 /nfs/dbraw/zinc/54/36/27/822543627.db2.gz YFWJACSRGNNUAJ-QGZVFWFLSA-N 1 0 387.549 4.217 20 0 GIADRO Cc1cccc(C)c1NC(=O)[C@@H](C)[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179756025 822544023 /nfs/dbraw/zinc/54/40/23/822544023.db2.gz YXZDDGIRNLVQJB-OPAMFIHVSA-N 1 0 380.488 4.143 20 0 GIADRO C[C@H](NC(=O)Nc1ccn(CC[NH+](C)C)n1)c1ccc(Cl)c2ccccc21 ZINC000183911832 822544880 /nfs/dbraw/zinc/54/48/80/822544880.db2.gz PWAYLRKXWXKQJQ-AWEZNQCLSA-N 1 0 385.899 4.134 20 0 GIADRO CC(C)N(C(=O)C[NH2+][C@H](C)c1ccc(NC(=O)C2CC2)cc1)c1ccccc1 ZINC000179760566 822545132 /nfs/dbraw/zinc/54/51/32/822545132.db2.gz XDAFEHKHXXKJKS-QGZVFWFLSA-N 1 0 379.504 4.127 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)N[C@@H](c2nc(C)cs2)C2CC2)CC1 ZINC000183913964 822545169 /nfs/dbraw/zinc/54/51/69/822545169.db2.gz AENNHRDYPRMZEM-LJQANCHMSA-N 1 0 392.613 4.446 20 0 GIADRO CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179760790 822545401 /nfs/dbraw/zinc/54/54/01/822545401.db2.gz LRPHFPWWUDAFMB-JOCHJYFZSA-N 1 0 394.563 4.269 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCC1)N[C@H]1CCO[C@H](c2ccccc2)C1 ZINC000183914673 822545404 /nfs/dbraw/zinc/54/54/04/822545404.db2.gz MZHXDCFXZZBECO-GOTSBHOMSA-N 1 0 393.531 4.002 20 0 GIADRO CC(=O)c1c(C)cc(C)c(C[NH2+][C@@H](CO)c2cccc(Br)c2)c1C ZINC000183916923 822545811 /nfs/dbraw/zinc/54/58/11/822545811.db2.gz YQKIXMPBTKBPPJ-IBGZPJMESA-N 1 0 390.321 4.400 20 0 GIADRO Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000179762826 822546277 /nfs/dbraw/zinc/54/62/77/822546277.db2.gz DPDSDWJNQHHNQZ-AWEZNQCLSA-N 1 0 385.895 4.286 20 0 GIADRO C[C@@H](Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)c1ccc(F)c(Cl)c1 ZINC000179765461 822547419 /nfs/dbraw/zinc/54/74/19/822547419.db2.gz UZYDGYHVKVUFSU-CQSZACIVSA-N 1 0 389.902 4.350 20 0 GIADRO CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)Nc2cccc(C[NH+](C)C)c2)c1 ZINC000047140329 822547834 /nfs/dbraw/zinc/54/78/34/822547834.db2.gz FVSPMQKKZRSXCL-MRXNPFEDSA-N 1 0 382.508 4.055 20 0 GIADRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)c3ccc(-n4cc[nH]c4=S)cc3)c2C1 ZINC000179766738 822547961 /nfs/dbraw/zinc/54/79/61/822547961.db2.gz LXFNOZGCLFLEQT-UHFFFAOYSA-N 1 0 392.528 4.385 20 0 GIADRO CC[C@@H]([NH2+][C@H](C)c1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1ccc(OC)cc1 ZINC000179767579 822548155 /nfs/dbraw/zinc/54/81/55/822548155.db2.gz RYPAYEWMXGRQEV-QVKFZJNVSA-N 1 0 395.503 4.112 20 0 GIADRO C[C@@H](CCCC(F)(F)F)NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000454868826 822548914 /nfs/dbraw/zinc/54/89/14/822548914.db2.gz YLTLNLBCSBCFDU-SJORKVTESA-N 1 0 385.474 4.271 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccc(Cl)cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000179770309 822549137 /nfs/dbraw/zinc/54/91/37/822549137.db2.gz OFTSKDFHLGWESY-CABCVRRESA-N 1 0 399.922 4.217 20 0 GIADRO C[C@H](Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)c1cnc2ccsc2c1 ZINC000179771680 822549468 /nfs/dbraw/zinc/54/94/68/822549468.db2.gz BHKPAKYMNAMWEF-HNNXBMFYSA-N 1 0 394.544 4.167 20 0 GIADRO Cc1ccc2c(c1)[C@@H](Nc1cccc(C[NH+]3CCC(C(N)=O)CC3)c1)CCC2 ZINC000179774098 822550018 /nfs/dbraw/zinc/55/00/18/822550018.db2.gz DXYAXISYHRAUNL-QHCPKHFHSA-N 1 0 377.532 4.182 20 0 GIADRO CC[NH+]1CCN(c2ccccc2N[C@H](C)c2ccc(-n3ccnc3)cc2)CC1 ZINC000179775637 822550385 /nfs/dbraw/zinc/55/03/85/822550385.db2.gz VFXIJOLDYQUQFS-LJQANCHMSA-N 1 0 375.520 4.187 20 0 GIADRO C[C@H](Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)c1ccc2ccccc2n1 ZINC000179775781 822550463 /nfs/dbraw/zinc/55/04/63/822550463.db2.gz HULTZKSCZWKWRG-KRWDZBQOSA-N 1 0 388.515 4.105 20 0 GIADRO CC[NH+]1CCN(c2ccccc2N[C@@H](C)c2cccc(N3CCCC3=O)c2)CC1 ZINC000179776378 822550584 /nfs/dbraw/zinc/55/05/84/822550584.db2.gz RPPXJHZNUBKIAT-IBGZPJMESA-N 1 0 392.547 4.128 20 0 GIADRO CCC[C@@H](NC(=O)C[NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1)c1ccccc1 ZINC000179776970 822550882 /nfs/dbraw/zinc/55/08/82/822550882.db2.gz LMNMYFSHADYQKX-HTAPYJJXSA-N 1 0 393.531 4.343 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)COc1ccc(Oc2ccccn2)cc1 ZINC000047188239 822552578 /nfs/dbraw/zinc/55/25/78/822552578.db2.gz HKDLZQAEXHQLKJ-IBGZPJMESA-N 1 0 397.519 4.024 20 0 GIADRO Cc1c(C(=O)Nc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)cnn1-c1ccccn1 ZINC000047191027 822552988 /nfs/dbraw/zinc/55/29/88/822552988.db2.gz BRNYZWBAKSCVHF-QGZVFWFLSA-N 1 0 389.503 4.202 20 0 GIADRO CCC(CC)[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)o1)c1ccccc1 ZINC000179792165 822553761 /nfs/dbraw/zinc/55/37/61/822553761.db2.gz ADAKHXNTHBPUON-OAQYLSRUSA-N 1 0 390.549 4.331 20 0 GIADRO COc1ccccc1C1(C[NH2+][C@@H](C)CC(=O)Nc2cccnc2Cl)CCC1 ZINC000183957491 822553764 /nfs/dbraw/zinc/55/37/64/822553764.db2.gz MPAYIGGZZOTBEY-HNNXBMFYSA-N 1 0 387.911 4.172 20 0 GIADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)CSc2nc3ccccc3s2)C1 ZINC000047213955 822554946 /nfs/dbraw/zinc/55/49/46/822554946.db2.gz SMYGYGFMPLOIOC-OAHLLOKOSA-N 1 0 377.579 4.017 20 0 GIADRO O=C(NCC1(C2CCC2)CCC1)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000454914372 822555981 /nfs/dbraw/zinc/55/59/81/822555981.db2.gz VXPLCTNPLXVRIG-UHFFFAOYSA-N 1 0 387.490 4.061 20 0 GIADRO O=C(c1csc(-c2ccc(F)c(F)c2)n1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000183976844 822556899 /nfs/dbraw/zinc/55/68/99/822556899.db2.gz PWNRWYUDROOYOA-UHFFFAOYSA-N 1 0 391.487 4.036 20 0 GIADRO C[C@@H](C[N@H+](C)[C@@H](C)C(=O)N(C)Cc1c(F)cccc1Cl)c1nccs1 ZINC000183993414 822559792 /nfs/dbraw/zinc/55/97/92/822559792.db2.gz UKJKVMPLWRGUMB-STQMWFEESA-N 1 0 383.920 4.018 20 0 GIADRO C[C@@H]([NH2+]CCC[C@@H]1CCCCO1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000183998113 822560626 /nfs/dbraw/zinc/56/06/26/822560626.db2.gz CGZVRAMRGNCEBL-MJGOQNOKSA-N 1 0 379.566 4.403 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccc(N4CCCC4=O)cc3)cc2)C1 ZINC000047284059 822562216 /nfs/dbraw/zinc/56/22/16/822562216.db2.gz KLGJGQGEJJDMCY-SFHVURJKSA-N 1 0 391.515 4.298 20 0 GIADRO CCOCc1cc(C[N@H+](CC)CC2CCN(c3ccccn3)CC2)ccc1OC ZINC000179834653 822562569 /nfs/dbraw/zinc/56/25/69/822562569.db2.gz YAZJUUTYZABHQR-UHFFFAOYSA-N 1 0 397.563 4.365 20 0 GIADRO COc1cc(CN2CCC([NH2+]C(C)C)CC2)ccc1OCc1ccc(F)cc1 ZINC000179836797 822563270 /nfs/dbraw/zinc/56/32/70/822563270.db2.gz FGVXARBSISNYGN-UHFFFAOYSA-N 1 0 386.511 4.376 20 0 GIADRO CC(C)(CNC(=O)Nc1ccc(-c2ncco2)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000179837559 822563444 /nfs/dbraw/zinc/56/34/44/822563444.db2.gz ACUROTWMNVKCNZ-UHFFFAOYSA-N 1 0 390.487 4.300 20 0 GIADRO CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH2+]C1CCC2(CC1)OCCO2 ZINC000179843290 822564678 /nfs/dbraw/zinc/56/46/78/822564678.db2.gz IWBOVCKBQSOMTE-UHFFFAOYSA-N 1 0 383.536 4.004 20 0 GIADRO CSC1(CNC(=O)N[C@@H](c2ccc(F)c(Cl)c2)C2CC2)CC[NH+](C)CC1 ZINC000454974279 822565177 /nfs/dbraw/zinc/56/51/77/822565177.db2.gz OKGGWKJHJZROEO-QGZVFWFLSA-N 1 0 399.963 4.057 20 0 GIADRO O=C(NCCC1CC(F)(F)C1)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000454976811 822565367 /nfs/dbraw/zinc/56/53/67/822565367.db2.gz GCTBBAPWHVLYLM-IBGZPJMESA-N 1 0 379.495 4.023 20 0 GIADRO CC(C)(CNC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1)c1ccccn1 ZINC000455000144 822568297 /nfs/dbraw/zinc/56/82/97/822568297.db2.gz YOOLLIPBIXVMMH-UHFFFAOYSA-N 1 0 396.535 4.046 20 0 GIADRO CCc1ccc(NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)cc1F ZINC000455020082 822572470 /nfs/dbraw/zinc/57/24/70/822572470.db2.gz YZAYPEJBAVIJIB-UHFFFAOYSA-N 1 0 375.410 4.269 20 0 GIADRO CC[C@@H](C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1)c1ccc(OC)cc1 ZINC000179897368 822573159 /nfs/dbraw/zinc/57/31/59/822573159.db2.gz SKTJADAFUKAXHV-HSZRJFAPSA-N 1 0 395.547 4.358 20 0 GIADRO Cc1scc(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)c1C ZINC000179904697 822574350 /nfs/dbraw/zinc/57/43/50/822574350.db2.gz PFAUIXHYSCIYQU-UHFFFAOYSA-N 1 0 375.513 4.287 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1ncccc1C(F)(F)F ZINC000179910367 822575203 /nfs/dbraw/zinc/57/52/03/822575203.db2.gz SFUILENSGQXIAX-OAHLLOKOSA-N 1 0 391.437 4.405 20 0 GIADRO COc1cc(OC)c(C(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)cc1OC ZINC000047402069 822575523 /nfs/dbraw/zinc/57/55/23/822575523.db2.gz SGIJSCUSBRGSRZ-UHFFFAOYSA-N 1 0 398.503 4.197 20 0 GIADRO C[C@H](CC(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1)NC(=O)c1ccccc1 ZINC000047402035 822575614 /nfs/dbraw/zinc/57/56/14/822575614.db2.gz NYJGBGCXQMDHJY-LJQANCHMSA-N 1 0 393.531 4.066 20 0 GIADRO CC(C)NC(=O)Nc1ccccc1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000047401784 822575619 /nfs/dbraw/zinc/57/56/19/822575619.db2.gz IMEOKYSOBIDXIC-UHFFFAOYSA-N 1 0 394.519 4.455 20 0 GIADRO Cn1ncc2c1CCC[C@H]2[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000184084585 822575592 /nfs/dbraw/zinc/57/55/92/822575592.db2.gz YXLIXQNEPACMMN-LJQANCHMSA-N 1 0 393.362 4.359 20 0 GIADRO CN(C(=O)Nc1ccc(-c2ncco2)cc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000455034718 822576447 /nfs/dbraw/zinc/57/64/47/822576447.db2.gz GHUPKXGFJAILMT-UHFFFAOYSA-N 1 0 396.413 4.222 20 0 GIADRO CSc1ccc([C@H](CNC(=O)Nc2scnc2C2CC2)[NH+](C)C)cc1 ZINC000455035564 822576594 /nfs/dbraw/zinc/57/65/94/822576594.db2.gz BIZLQFFEQSQOEG-HNNXBMFYSA-N 1 0 376.551 4.167 20 0 GIADRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccc(C3SCCS3)cc2)C1 ZINC000047415943 822577259 /nfs/dbraw/zinc/57/72/59/822577259.db2.gz JDAUZYVRABLSOY-HOTGVXAUSA-N 1 0 378.607 4.263 20 0 GIADRO CC(=O)N(Cc1ccc(N[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1)C(C)C ZINC000179919925 822577269 /nfs/dbraw/zinc/57/72/69/822577269.db2.gz IUJIVBSLPUOWEH-DVECYGJZSA-N 1 0 394.563 4.161 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2cccc(NC(=O)c3cccs3)c2)C1 ZINC000047416547 822577512 /nfs/dbraw/zinc/57/75/12/822577512.db2.gz MCMRMTCNLRBJBM-CALCHBBNSA-N 1 0 399.560 4.098 20 0 GIADRO CC(C)c1cc(Br)ccc1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000455040071 822578081 /nfs/dbraw/zinc/57/80/81/822578081.db2.gz WQZFVQNOOBCDMZ-GOOCMWNKSA-N 1 0 380.330 4.319 20 0 GIADRO Cc1ccnc(NC(=O)N(CC[NH+](C)C)Cc2cccc(C(F)(F)F)c2)c1 ZINC000184108018 822579287 /nfs/dbraw/zinc/57/92/87/822579287.db2.gz MXBCJGJVCQSXJU-UHFFFAOYSA-N 1 0 380.414 4.005 20 0 GIADRO COc1ccc(OCc2ccccn2)c(C[NH2+]C[C@H](C)c2nc(C)cs2)c1 ZINC000184110561 822579680 /nfs/dbraw/zinc/57/96/80/822579680.db2.gz XFNBORZRGOUQEO-HNNXBMFYSA-N 1 0 383.517 4.327 20 0 GIADRO CCCC(=O)Nc1ccc(Cl)c(NC(=O)NCC2(C[NH+](C)C)CCCC2)c1 ZINC000184111779 822579884 /nfs/dbraw/zinc/57/98/84/822579884.db2.gz VQTMFIITSQVZEP-UHFFFAOYSA-N 1 0 394.947 4.322 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)c1 ZINC000047447835 822580281 /nfs/dbraw/zinc/58/02/81/822580281.db2.gz NDPHXSXRWPTFKQ-NQIIRXRSSA-N 1 0 393.531 4.077 20 0 GIADRO CC1CC[NH+](CCc2cccc(NC(=O)N3CC[C@]4(C)[C@H](C3)C4(F)F)c2)CC1 ZINC000455051794 822580914 /nfs/dbraw/zinc/58/09/14/822580914.db2.gz FKRILOZNDOIPSI-PZJWPPBQSA-N 1 0 391.506 4.470 20 0 GIADRO Cc1ccc(OCc2nc(CC(=O)Nc3cccc(C[NH+](C)C)c3)cs2)cc1 ZINC000047453755 822581046 /nfs/dbraw/zinc/58/10/46/822581046.db2.gz FFNXALYDCQNEMV-UHFFFAOYSA-N 1 0 395.528 4.273 20 0 GIADRO Fc1ccc(COc2ccc(C[N@@H+]3CCOCC4(CCOCC4)C3)cc2)cc1 ZINC000184121117 822581768 /nfs/dbraw/zinc/58/17/68/822581768.db2.gz CPJAVKILVBLEMG-UHFFFAOYSA-N 1 0 385.479 4.034 20 0 GIADRO CC[C@H]1Cc2ccccc2CN1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000184122282 822581892 /nfs/dbraw/zinc/58/18/92/822581892.db2.gz YKSXYXGEZPLSSV-NRFANRHFSA-N 1 0 392.547 4.116 20 0 GIADRO CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2cc(C)ccc2OC(F)F)cc1 ZINC000179941891 822581884 /nfs/dbraw/zinc/58/18/84/822581884.db2.gz GVUIAKKYKCAESA-CQSZACIVSA-N 1 0 383.460 4.241 20 0 GIADRO CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCCOc3c(C)cc(Cl)cc32)cc1 ZINC000179944863 822582635 /nfs/dbraw/zinc/58/26/35/822582635.db2.gz ZJPXATQWXGPXCY-LJQANCHMSA-N 1 0 393.936 4.446 20 0 GIADRO CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2cccc(OC(F)(F)F)c2)cc1 ZINC000179951136 822584396 /nfs/dbraw/zinc/58/43/96/822584396.db2.gz GUXMLDKWNAQPFT-CYBMUJFWSA-N 1 0 387.423 4.230 20 0 GIADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)Nc3ccc(COc4ccccc4)cc3)C2)C1 ZINC000455075091 822585413 /nfs/dbraw/zinc/58/54/13/822585413.db2.gz KUWUJZXIVNLWJD-HSZRJFAPSA-N 1 0 379.504 4.215 20 0 GIADRO C[C@H](NC(=O)CC1(C[NH3+])CCCCC1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000184150665 822586240 /nfs/dbraw/zinc/58/62/40/822586240.db2.gz RCLGACUTXXBULL-SFHVURJKSA-N 1 0 393.531 4.415 20 0 GIADRO CC(C)[N@@H+](Cc1ccc(NC(=O)N2CCC[C@@H]2CF)cc1)C[C@@H]1CCCCO1 ZINC000455079615 822586345 /nfs/dbraw/zinc/58/63/45/822586345.db2.gz TZCRVNZTRMSMQP-RTWAWAEBSA-N 1 0 391.531 4.432 20 0 GIADRO CC(=O)N1CCc2cc(C(=O)Nc3ccc(C[N@H+]4CCCC[C@@H]4C)cc3)ccc21 ZINC000047522331 822586845 /nfs/dbraw/zinc/58/68/45/822586845.db2.gz WJKQZKVFOOYVRO-KRWDZBQOSA-N 1 0 391.515 4.222 20 0 GIADRO CC(=O)N1CCc2cc(C(=O)Nc3ccc(C[N@H+]4CCCC[C@H]4C)cc3)ccc21 ZINC000047522330 822586888 /nfs/dbraw/zinc/58/68/88/822586888.db2.gz WJKQZKVFOOYVRO-QGZVFWFLSA-N 1 0 391.515 4.222 20 0 GIADRO CCCCOC(=O)c1ccc(NC(=O)N2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000047523962 822587105 /nfs/dbraw/zinc/58/71/05/822587105.db2.gz IIOCMJAVSWECFY-UHFFFAOYSA-N 1 0 387.524 4.126 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N(C)c1nccs1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000179968842 822587478 /nfs/dbraw/zinc/58/74/78/822587478.db2.gz XACLNZWCKGSXOW-CQSZACIVSA-N 1 0 385.464 4.388 20 0 GIADRO Cc1ccc(Oc2ccc(NC(=O)N3CCC([NH+]4CCCC4)CC3)cn2)cc1 ZINC000047548802 822589624 /nfs/dbraw/zinc/58/96/24/822589624.db2.gz VABKYKUVDXKKFE-UHFFFAOYSA-N 1 0 380.492 4.274 20 0 GIADRO CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)CC2(C[NH3+])CCCCC2)c1 ZINC000184172581 822590464 /nfs/dbraw/zinc/59/04/64/822590464.db2.gz DWBCIDSNQUEIEO-UHFFFAOYSA-N 1 0 379.932 4.058 20 0 GIADRO C[C@H](c1ccccc1Br)N(C)C(=O)NCCCCC[NH+]1CCCC1 ZINC000455114004 822590920 /nfs/dbraw/zinc/59/09/20/822590920.db2.gz KVHNWSBUHBFLGH-MRXNPFEDSA-N 1 0 396.373 4.418 20 0 GIADRO Fc1ccc(-c2noc(CCC[NH2+]Cc3ccccc3OC(F)F)n2)cc1 ZINC000184175655 822590910 /nfs/dbraw/zinc/59/09/10/822590910.db2.gz KESKFLHXJJYSOQ-UHFFFAOYSA-N 1 0 377.366 4.200 20 0 GIADRO c1ccc(CCC[C@H]([NH2+]C[C@H]2COC3(CCOCC3)O2)c2ccccc2)cc1 ZINC000179985738 822590976 /nfs/dbraw/zinc/59/09/76/822590976.db2.gz DUDPXOFBCOMQGG-GOTSBHOMSA-N 1 0 381.516 4.262 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(F)cc4cccnc43)c(C)c2)CC1 ZINC000179987484 822591349 /nfs/dbraw/zinc/59/13/49/822591349.db2.gz WKDWYFFSPAYTMH-UHFFFAOYSA-N 1 0 392.478 4.077 20 0 GIADRO Cc1cccc(NC(=S)NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)c1 ZINC000047567417 822591450 /nfs/dbraw/zinc/59/14/50/822591450.db2.gz AOCYVLLOGLBGFL-ROUUACIJSA-N 1 0 383.561 4.091 20 0 GIADRO CC(C)COC[C@@H](N[C@H](C)C(=O)Nc1cc(Cl)ccc1F)c1ccco1 ZINC000184180428 822591878 /nfs/dbraw/zinc/59/18/78/822591878.db2.gz SCLPJMUOXPCKIM-CXAGYDPISA-N 1 0 382.863 4.403 20 0 GIADRO O=C(NCCCCC[NH+]1CCCC1)N[C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000455121115 822591912 /nfs/dbraw/zinc/59/19/12/822591912.db2.gz TUXOQQLYKSPTHS-QGZVFWFLSA-N 1 0 389.437 4.385 20 0 GIADRO [NH3+]CC1(CC(=O)Nc2ccccc2NC(=O)Cc2cccs2)CCCCC1 ZINC000184182761 822592249 /nfs/dbraw/zinc/59/22/49/822592249.db2.gz DLPQODCYOSNKQJ-UHFFFAOYSA-N 1 0 385.533 4.167 20 0 GIADRO O=C(c1ccc(F)cc1)N1CCC[N@H+](Cc2cccc(-c3cccnc3)c2)CC1 ZINC000180000724 822593387 /nfs/dbraw/zinc/59/33/87/822593387.db2.gz QGJKKRCVAWRXKM-UHFFFAOYSA-N 1 0 389.474 4.236 20 0 GIADRO O=C(Nc1cccc(COCc2ccco2)c1)N1CC[NH+](C2CCCC2)CC1 ZINC000047603380 822595686 /nfs/dbraw/zinc/59/56/86/822595686.db2.gz XLJFWGWTFDHRQN-UHFFFAOYSA-N 1 0 383.492 4.089 20 0 GIADRO CCOc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(OCC)c(OC)c2)cc1 ZINC000047608830 822596333 /nfs/dbraw/zinc/59/63/33/822596333.db2.gz VESCDNKMFNANGJ-JKSUJKDBSA-N 1 0 386.492 4.170 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)NCc2ccc(C(F)F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000184210391 822596676 /nfs/dbraw/zinc/59/66/76/822596676.db2.gz JCRWPMQFTCMPIS-OXQOHEQNSA-N 1 0 387.474 4.477 20 0 GIADRO Cn1cc([C@H](NCc2ccc(C[NH+]3CCCC3)cc2)c2cccc(F)c2)cn1 ZINC000180019574 822597839 /nfs/dbraw/zinc/59/78/39/822597839.db2.gz IYQSJJJYWRYAIA-HSZRJFAPSA-N 1 0 378.495 4.034 20 0 GIADRO O=C1CCCN1C[C@H]([NH2+][C@H]1CCc2c1cccc2Br)c1ccccc1 ZINC000180023372 822598866 /nfs/dbraw/zinc/59/88/66/822598866.db2.gz DIPMCELYQBFDOK-PMACEKPBSA-N 1 0 399.332 4.390 20 0 GIADRO COCCOc1ccc(N[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1Cl ZINC000180027145 822599882 /nfs/dbraw/zinc/59/98/82/822599882.db2.gz LQSYEKAUMZJIMJ-JXFKEZNVSA-N 1 0 389.927 4.083 20 0 GIADRO C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)c1cccc(OCc2ccccn2)c1 ZINC000180033022 822601466 /nfs/dbraw/zinc/60/14/66/822601466.db2.gz RMQGXAUYVLVMJS-HKUYNNGSSA-N 1 0 397.519 4.321 20 0 GIADRO COc1ccc(NC(=O)C[NH2+][C@H](c2ccc(Cl)cc2)[C@H]2C[C@@H]2C)c(OC)c1 ZINC000180035506 822601798 /nfs/dbraw/zinc/60/17/98/822601798.db2.gz PQYTVYLYSBTZMU-IBNJYYFUSA-N 1 0 388.895 4.283 20 0 GIADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2cccc(Br)c2Cl)C1 ZINC000184245830 822602122 /nfs/dbraw/zinc/60/21/22/822602122.db2.gz OPHSCDCAONDLJB-CYBMUJFWSA-N 1 0 387.749 4.200 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)Nc1ccc(OC(F)F)c(F)c1 ZINC000047714355 822602629 /nfs/dbraw/zinc/60/26/29/822602629.db2.gz WOYVVTMQEZFLCZ-UHFFFAOYSA-N 1 0 393.409 4.345 20 0 GIADRO Cc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+][C@@H](C)C[S@@](C)=O)cc1C ZINC000184260203 822604900 /nfs/dbraw/zinc/60/49/00/822604900.db2.gz ICWHJCUTEXSGIG-HMILPKGGSA-N 1 0 395.572 4.072 20 0 GIADRO CN(C(=O)Nc1cc(Cl)c(Cl)cn1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000455193674 822605232 /nfs/dbraw/zinc/60/52/32/822605232.db2.gz XPIWGZJGZXSVPP-UHFFFAOYSA-N 1 0 399.244 4.269 20 0 GIADRO C[C@H](C[S@@](C)=O)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000184267549 822605940 /nfs/dbraw/zinc/60/59/40/822605940.db2.gz AIWBIXUUDMZAEK-PVPMGCCUSA-N 1 0 387.936 4.049 20 0 GIADRO C[N@H+](Cc1cc(Br)cs1)Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000047752047 822606089 /nfs/dbraw/zinc/60/60/89/822606089.db2.gz YGJPFTZDQUPGNT-UHFFFAOYSA-N 1 0 393.350 4.379 20 0 GIADRO Cc1ccc([C@H]([NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)C2CC2)cc1 ZINC000180061936 822606739 /nfs/dbraw/zinc/60/67/39/822606739.db2.gz VHZGZSLOXOMCJV-IECBHUPTSA-N 1 0 392.543 4.485 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)CCc3nc4ccccc4s3)c2)CC1 ZINC000184276894 822607333 /nfs/dbraw/zinc/60/73/33/822607333.db2.gz PNHRIANNRRFRPK-UHFFFAOYSA-N 1 0 394.544 4.010 20 0 GIADRO CC(C)Oc1ccc(C[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)cn1 ZINC000047772048 822608259 /nfs/dbraw/zinc/60/82/59/822608259.db2.gz UNYLEFRXDYATMB-UHFFFAOYSA-N 1 0 390.409 4.363 20 0 GIADRO CCC[C@@H](C)C[NH2+][C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000180069665 822609016 /nfs/dbraw/zinc/60/90/16/822609016.db2.gz XBBDSSXZRFGAIF-VLIAUNLRSA-N 1 0 381.488 4.484 20 0 GIADRO COc1cc(C[NH2+]C[C@@H](C)c2nccs2)ccc1OCc1c(C)noc1C ZINC000184289020 822609404 /nfs/dbraw/zinc/60/94/04/822609404.db2.gz FTKIWEIZBQOYDL-CYBMUJFWSA-N 1 0 387.505 4.229 20 0 GIADRO CCC(CC)(C(=O)NCc1cccc(C[NH+](C)C)c1)c1ccc(OC)c(OC)c1 ZINC000184289779 822609413 /nfs/dbraw/zinc/60/94/13/822609413.db2.gz LVEDEDOJIMBAEM-UHFFFAOYSA-N 1 0 398.547 4.140 20 0 GIADRO C[C@@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1)c1nccs1 ZINC000184289076 822609423 /nfs/dbraw/zinc/60/94/23/822609423.db2.gz GUUSLAZQFPARFT-INIZCTEOSA-N 1 0 375.501 4.284 20 0 GIADRO C[C@H](C[S@@](C)=O)[NH2+][C@@H](Cc1ccccc1F)c1ccccc1Br ZINC000184298730 822610619 /nfs/dbraw/zinc/61/06/19/822610619.db2.gz WOERYHMDMDZKHG-ZGJHTFNLSA-N 1 0 398.341 4.229 20 0 GIADRO C[C@H](C[S@@](C)=O)[NH2+][C@@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC000184300553 822610810 /nfs/dbraw/zinc/61/08/10/822610810.db2.gz OOBCUVVFBYZIJV-LPCJOIQWSA-N 1 0 384.314 4.034 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(OCc2ccccn2)cc1)c1ccc2c(c1)CCC(=O)N2 ZINC000047826091 822612824 /nfs/dbraw/zinc/61/28/24/822612824.db2.gz YCMDTVKDTRUJCE-QGZVFWFLSA-N 1 0 387.483 4.396 20 0 GIADRO COc1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccc(OCC(C)C)c(OC)c1 ZINC000180088499 822612841 /nfs/dbraw/zinc/61/28/41/822612841.db2.gz KTSMDDUHDXXFHQ-INIZCTEOSA-N 1 0 386.492 4.028 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(OCc2ccccn2)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000047826876 822612995 /nfs/dbraw/zinc/61/29/95/822612995.db2.gz UOLPTMGNEKEQCX-QGZVFWFLSA-N 1 0 387.483 4.396 20 0 GIADRO COc1ccc(C[NH2+][C@H](C)c2ccc3c(c2)CCC(=O)N3)cc1OC(F)F ZINC000047827548 822613011 /nfs/dbraw/zinc/61/30/11/822613011.db2.gz GURNBNIDOJBJFQ-GFCCVEGCSA-N 1 0 376.403 4.032 20 0 GIADRO COc1ccc(Br)cc1C[NH2+][C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000047827941 822613205 /nfs/dbraw/zinc/61/32/05/822613205.db2.gz WSSXUUWVKNPMGU-GFCCVEGCSA-N 1 0 389.293 4.193 20 0 GIADRO CCCCN(C(=O)Nc1ccccc1CC[NH+](C)C)[C@@H]1CCCC[C@H]1OC ZINC000455229683 822613206 /nfs/dbraw/zinc/61/32/06/822613206.db2.gz OPRYGHFCFZOCQV-NHCUHLMSSA-N 1 0 375.557 4.382 20 0 GIADRO Cc1ccccc1[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)o1)C(C)(C)C ZINC000180092521 822613688 /nfs/dbraw/zinc/61/36/88/822613688.db2.gz XFWRDKKKQJZOTJ-FQEVSTJZSA-N 1 0 390.549 4.250 20 0 GIADRO Cc1cc(C)n(-c2ccc(NC(=O)N3CCC([NH+]4CCCCC4)CC3)cc2F)n1 ZINC000047860405 822614409 /nfs/dbraw/zinc/61/44/09/822614409.db2.gz FNKZYLRMLVVQAF-UHFFFAOYSA-N 1 0 399.514 4.110 20 0 GIADRO C[C@@H]([NH2+][C@@H](c1ccc(Cl)cc1)C1CCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000180097361 822614668 /nfs/dbraw/zinc/61/46/68/822614668.db2.gz NTWOJRSPQAEHOH-BFUOFWGJSA-N 1 0 378.925 4.179 20 0 GIADRO CC(C)[NH+]1CCC(NC(=O)NCc2ccc(COCc3ccccc3)cc2)CC1 ZINC000047884147 822616314 /nfs/dbraw/zinc/61/63/14/822616314.db2.gz KZMVBEZABDZZBP-UHFFFAOYSA-N 1 0 395.547 4.075 20 0 GIADRO C[C@H](NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000047883278 822616337 /nfs/dbraw/zinc/61/63/37/822616337.db2.gz VVJWRMFRYMABDB-YOEHRIQHSA-N 1 0 395.425 4.496 20 0 GIADRO O=C(NCCCCC[NH+]1CCCC1)N[C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000455246538 822616667 /nfs/dbraw/zinc/61/66/67/822616667.db2.gz VTFIWECHZMQMBX-INIZCTEOSA-N 1 0 393.400 4.134 20 0 GIADRO COc1ccc2oc([C@H](C)[NH2+][C@@H](C)C(=O)NCCc3cccs3)c(C)c2c1 ZINC000184332414 822616841 /nfs/dbraw/zinc/61/68/41/822616841.db2.gz PVKVEGGDRHARSB-GJZGRUSLSA-N 1 0 386.517 4.209 20 0 GIADRO O=C(NCCCCC[NH+]1CCCC1)Nc1cc(Br)c(F)cc1F ZINC000455253050 822618208 /nfs/dbraw/zinc/61/82/08/822618208.db2.gz LGQSGWICXGXUPF-UHFFFAOYSA-N 1 0 390.272 4.115 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)Nc2ccc(Cl)c(OC(F)F)c2)CC1 ZINC000180115264 822618231 /nfs/dbraw/zinc/61/82/31/822618231.db2.gz BBAKTDFSLAAQNJ-UHFFFAOYSA-N 1 0 375.847 4.280 20 0 GIADRO O=C(N[C@H]1CCCC[C@H]1CC(F)(F)F)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000455252945 822618224 /nfs/dbraw/zinc/61/82/24/822618224.db2.gz DZGQWKHWFFEFJZ-CIRFHOKZSA-N 1 0 387.490 4.156 20 0 GIADRO CCCN1c2ccc(N[C@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C)cc2CCC1=O ZINC000180115761 822618479 /nfs/dbraw/zinc/61/84/79/822618479.db2.gz GIAXYBZTGXBFHN-AVRDEDQJSA-N 1 0 392.547 4.093 20 0 GIADRO C[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C)c1nc2ccc(Cl)cc2n1C ZINC000180119077 822619127 /nfs/dbraw/zinc/61/91/27/822619127.db2.gz HEBIXRUHUWJPGD-GJYPPUQNSA-N 1 0 397.954 4.183 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCCCC1)c1ncccc1C(F)(F)F ZINC000180121144 822619527 /nfs/dbraw/zinc/61/95/27/822619527.db2.gz ABRMWMCPIQDVBX-UHFFFAOYSA-N 1 0 391.437 4.406 20 0 GIADRO C[NH+]1CCN(c2cccc(Cl)c2CNCc2nc(C(C)(C)C)cs2)CC1 ZINC000180126144 822620682 /nfs/dbraw/zinc/62/06/82/822620682.db2.gz AYAQSYVGNWAMOC-UHFFFAOYSA-N 1 0 393.000 4.136 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)c1cccc(NC(C)=O)c1)c1ccccc1 ZINC000047948092 822621855 /nfs/dbraw/zinc/62/18/55/822621855.db2.gz DDLOEKOSIQTXAX-HTAPYJJXSA-N 1 0 396.535 4.088 20 0 GIADRO C[C@@H]([NH2+]CC(=O)NC[C@@H]1CCN(c2ccccc2)C1)c1cc2ccccc2s1 ZINC000184382352 822625541 /nfs/dbraw/zinc/62/55/41/822625541.db2.gz ZQCQULNMEFTOAT-MSOLQXFVSA-N 1 0 393.556 4.195 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)Nc2ccc(Cl)c(OC(F)F)c2)cc1 ZINC000180144428 822625803 /nfs/dbraw/zinc/62/58/03/822625803.db2.gz KPCOAXBAEOZZFS-UHFFFAOYSA-N 1 0 383.826 4.325 20 0 GIADRO Cc1oc(-c2ccccc2)nc1C[NH+]1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000048046585 822626349 /nfs/dbraw/zinc/62/63/49/822626349.db2.gz CUBADHKDOGBDKD-QGZVFWFLSA-N 1 0 381.520 4.121 20 0 GIADRO C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC000048046595 822626362 /nfs/dbraw/zinc/62/63/62/822626362.db2.gz PTSHHQISOQGXSN-HNNXBMFYSA-N 1 0 384.442 4.056 20 0 GIADRO C[N@@H+]1CC[C@H](NC(=O)c2ccccc2NC(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000180147100 822626549 /nfs/dbraw/zinc/62/65/49/822626549.db2.gz XJYRQSYGCXMUJD-GOTSBHOMSA-N 1 0 399.494 4.114 20 0 GIADRO COc1cccc(NC(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCCC2)c1 ZINC000048050514 822626809 /nfs/dbraw/zinc/62/68/09/822626809.db2.gz ICLUGMZYLVLBTG-FQEVSTJZSA-N 1 0 383.492 4.053 20 0 GIADRO Cc1ccc(C[NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)c(Oc2ccccc2)c1 ZINC000180148936 822626913 /nfs/dbraw/zinc/62/69/13/822626913.db2.gz YJFLZPMJYBNEGY-QGZVFWFLSA-N 1 0 396.512 4.286 20 0 GIADRO Cc1cc(NC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)ccc1Br ZINC000048051950 822627226 /nfs/dbraw/zinc/62/72/26/822627226.db2.gz SGVQBYQRNZXZCN-UHFFFAOYSA-N 1 0 382.346 4.342 20 0 GIADRO COc1ccc([C@@H]([NH2+]C[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2)C2CC2)cc1 ZINC000180151419 822627661 /nfs/dbraw/zinc/62/76/61/822627661.db2.gz OVCWGTCYAAESHR-XDHUDOTRSA-N 1 0 396.531 4.280 20 0 GIADRO O=C(NCCCCC[NH+]1CCCC1)Nc1cccc(-c2ncc3n2CCCC3)c1 ZINC000455287080 822627746 /nfs/dbraw/zinc/62/77/46/822627746.db2.gz JHCJYVNYHGEZGR-UHFFFAOYSA-N 1 0 395.551 4.274 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)Nc1cccc(-c2ncc3n2CCCC3)c1 ZINC000455288428 822628371 /nfs/dbraw/zinc/62/83/71/822628371.db2.gz LCBKVMYMWHGKEJ-UHFFFAOYSA-N 1 0 383.540 4.128 20 0 GIADRO Cc1c(NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cccc1N(C)C ZINC000180163338 822630230 /nfs/dbraw/zinc/63/02/30/822630230.db2.gz PQSQLKNJFIYSPH-UHFFFAOYSA-N 1 0 380.536 4.369 20 0 GIADRO O=C(C[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1)N1CCc2sccc2C1 ZINC000180164658 822630437 /nfs/dbraw/zinc/63/04/37/822630437.db2.gz MHCDQIAVLMUQJI-IBGZPJMESA-N 1 0 394.462 4.393 20 0 GIADRO C[C@@H](CNC(=O)Nc1cccc(COCc2ccco2)c1)C[NH+]1CCCCC1 ZINC000048084833 822630506 /nfs/dbraw/zinc/63/05/06/822630506.db2.gz OZRLDAUBGDYSQQ-SFHVURJKSA-N 1 0 385.508 4.240 20 0 GIADRO Cc1c(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cnn1-c1ccccc1Cl ZINC000180166147 822630768 /nfs/dbraw/zinc/63/07/68/822630768.db2.gz GYVOTCIPWBJVLN-TZIWHRDSSA-N 1 0 394.906 4.009 20 0 GIADRO Cc1ccc(C(=O)CCCC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000184419248 822631806 /nfs/dbraw/zinc/63/18/06/822631806.db2.gz BZQCUCHTIRSLQX-LJQANCHMSA-N 1 0 398.572 4.438 20 0 GIADRO Cc1c(NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cccc1N(C)C ZINC000180171893 822631976 /nfs/dbraw/zinc/63/19/76/822631976.db2.gz PLBKNFVJBKYWJZ-UHFFFAOYSA-N 1 0 380.536 4.095 20 0 GIADRO C[C@@H]([NH2+]CCCC(=O)N1CCc2ccccc21)c1nc2ccc(Cl)cc2n1C ZINC000180172961 822632422 /nfs/dbraw/zinc/63/24/22/822632422.db2.gz ZQMZOSAETTWKNZ-OAHLLOKOSA-N 1 0 396.922 4.247 20 0 GIADRO COc1cc(O)c(C[NH+]2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)cc1OC ZINC000180183533 822634295 /nfs/dbraw/zinc/63/42/95/822634295.db2.gz JSXOBQCSHDXVGD-NRFANRHFSA-N 1 0 391.895 4.008 20 0 GIADRO O=C(Nc1nc(Cc2ccccc2)cs1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000184438091 822635055 /nfs/dbraw/zinc/63/50/55/822635055.db2.gz CKIJJIBAPXLISU-XLIONFOSSA-N 1 0 396.560 4.215 20 0 GIADRO Cc1c(NC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2ccnc2)cccc1N(C)C ZINC000180187649 822635246 /nfs/dbraw/zinc/63/52/46/822635246.db2.gz VWWWLTSQDFKOJQ-FGZHOGPDSA-N 1 0 389.503 4.308 20 0 GIADRO COc1ccccc1[C@H](O)C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180190298 822635827 /nfs/dbraw/zinc/63/58/27/822635827.db2.gz KQTPRJKDOFFHQD-IRLDBZIGSA-N 1 0 378.428 4.016 20 0 GIADRO COCCC(=O)N1CCC([NH2+][C@@H](c2ccc(Cl)c(Cl)c2)C2CC2)CC1 ZINC000180193867 822636528 /nfs/dbraw/zinc/63/65/28/822636528.db2.gz FNYRXCWZAVFKAC-LJQANCHMSA-N 1 0 385.335 4.062 20 0 GIADRO C[C@@H]1CN(C(=O)Nc2ccc(-c3csc(C(F)(F)F)n3)cc2)C[C@H](C)[N@H+]1C ZINC000455348620 822638159 /nfs/dbraw/zinc/63/81/59/822638159.db2.gz JOGRKFXRPDQRLB-TXEJJXNPSA-N 1 0 398.454 4.385 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(COC2CCOCC2)cc1)c1nc2ccccc2n1C ZINC000180200723 822638253 /nfs/dbraw/zinc/63/82/53/822638253.db2.gz MQQUYNMRZSJTCD-KRWDZBQOSA-N 1 0 379.504 4.120 20 0 GIADRO CCOc1ccc(NC(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)c(C)c1 ZINC000048142447 822638467 /nfs/dbraw/zinc/63/84/67/822638467.db2.gz AADSUSPQBBPYEQ-JOCHJYFZSA-N 1 0 397.519 4.361 20 0 GIADRO Cc1nc2cc(Cl)c(NC(=O)N3CC[C@@]4(C3)CCC[N@@H+](C)C4)cc2s1 ZINC000455351801 822638506 /nfs/dbraw/zinc/63/85/06/822638506.db2.gz IEOOTNANHYNCOA-SFHVURJKSA-N 1 0 378.929 4.208 20 0 GIADRO COCc1c(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)sc2cccc(F)c21 ZINC000180202036 822638571 /nfs/dbraw/zinc/63/85/71/822638571.db2.gz FCTNTGTWJMQGJD-PXNSSMCTSA-N 1 0 398.503 4.362 20 0 GIADRO O=C(CCSc1ccccc1Cl)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180204563 822639022 /nfs/dbraw/zinc/63/90/22/822639022.db2.gz CIGRVMFFAOFITI-UHFFFAOYSA-N 1 0 389.952 4.250 20 0 GIADRO Cc1c(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)sc2cccc(F)c12 ZINC000180204674 822639063 /nfs/dbraw/zinc/63/90/63/822639063.db2.gz DVQHXONOCUAGOM-UHFFFAOYSA-N 1 0 383.492 4.390 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(-c2ccc(F)cc2)o1 ZINC000180204599 822639066 /nfs/dbraw/zinc/63/90/66/822639066.db2.gz WPUQWYACFVSUOL-UHFFFAOYSA-N 1 0 379.435 4.127 20 0 GIADRO COc1cc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)c(C)cc1C ZINC000455356905 822639478 /nfs/dbraw/zinc/63/94/78/822639478.db2.gz FBELSOZSABZTDS-KRWDZBQOSA-N 1 0 381.520 4.298 20 0 GIADRO Cn1cc(C[NH2+][C@@H](COc2cccc(F)c2)c2cccc(C(F)(F)F)c2)cn1 ZINC000180207660 822639583 /nfs/dbraw/zinc/63/95/83/822639583.db2.gz NWIDRTBXBBWKET-IBGZPJMESA-N 1 0 393.384 4.488 20 0 GIADRO Cc1nn(-c2ccccc2)cc1CCC[NH2+]Cc1cn(C)nc1-c1ccccc1 ZINC000180209836 822640061 /nfs/dbraw/zinc/64/00/61/822640061.db2.gz NXSHRZKMEPSONP-UHFFFAOYSA-N 1 0 385.515 4.304 20 0 GIADRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Br)cc1Cl ZINC000048163451 822641387 /nfs/dbraw/zinc/64/13/87/822641387.db2.gz XRKXVZWGUUSLOK-OAHLLOKOSA-N 1 0 393.712 4.107 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1cc(-c2cccc(Cl)c2)on1 ZINC000180219548 822641564 /nfs/dbraw/zinc/64/15/64/822641564.db2.gz GDMGRPCGLIYYME-UHFFFAOYSA-N 1 0 396.878 4.036 20 0 GIADRO COc1cccc([C@H](O)C[N@H+](Cc2cnn(C(C)C)c2)Cc2ccccc2)c1 ZINC000180219787 822641609 /nfs/dbraw/zinc/64/16/09/822641609.db2.gz XWFHGQZSBYDJIT-HSZRJFAPSA-N 1 0 379.504 4.208 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000180220544 822641826 /nfs/dbraw/zinc/64/18/26/822641826.db2.gz HQTIIAOOQMGLGN-BJKOFHAPSA-N 1 0 385.511 4.371 20 0 GIADRO Cc1cc(C)cc(-n2ccnc2SCC(=O)Nc2ccccc2C[NH+](C)C)c1 ZINC000048173914 822642245 /nfs/dbraw/zinc/64/22/45/822642245.db2.gz LVGGULIXSUSREU-UHFFFAOYSA-N 1 0 394.544 4.282 20 0 GIADRO O=C(NCCCCC[NH+]1CCCC1)Nc1ccc(OCC(F)(F)F)c(F)c1 ZINC000455372825 822642346 /nfs/dbraw/zinc/64/23/46/822642346.db2.gz TUXRIENWEFMXHI-UHFFFAOYSA-N 1 0 391.409 4.154 20 0 GIADRO CC[C@H](CNC(=O)c1sccc1Br)[N@@H+]1CCc2ccccc2C1 ZINC000048188645 822643684 /nfs/dbraw/zinc/64/36/84/822643684.db2.gz XFSJDMQQZNIMAT-OAHLLOKOSA-N 1 0 393.350 4.077 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1ccc([S@@](C)=O)cc1 ZINC000180228145 822643810 /nfs/dbraw/zinc/64/38/10/822643810.db2.gz NDXSOYPKFXQKNT-CCMLFURESA-N 1 0 381.900 4.397 20 0 GIADRO COc1ccc(-c2ccc(C)c(NC(=O)NCCCC[N@H+](C)C3CC3)c2)cn1 ZINC000455388434 822645010 /nfs/dbraw/zinc/64/50/10/822645010.db2.gz JPCGEAWQRBIHSB-UHFFFAOYSA-N 1 0 382.508 4.062 20 0 GIADRO COc1ccc(C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)cc1OC(F)F ZINC000048219632 822646106 /nfs/dbraw/zinc/64/61/06/822646106.db2.gz BPHIGCNKSJMAAG-UHFFFAOYSA-N 1 0 396.478 4.025 20 0 GIADRO CCOCc1ccc(CNC(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000048221014 822646384 /nfs/dbraw/zinc/64/63/84/822646384.db2.gz ALFISMLXJDMZSA-UHFFFAOYSA-N 1 0 395.547 4.208 20 0 GIADRO CC[C@@H]([NH2+][C@H]1CCN(C(C)=O)Cc2cc(F)ccc21)c1ccc2c(c1)OCCO2 ZINC000184509493 822647727 /nfs/dbraw/zinc/64/77/27/822647727.db2.gz UVYAXCLBKLUVBP-RTWAWAEBSA-N 1 0 398.478 4.131 20 0 GIADRO Cc1ccc(NC(=O)C(C)C)cc1NC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000048254846 822648505 /nfs/dbraw/zinc/64/85/05/822648505.db2.gz OZRKKGOSPHCPTQ-QGZVFWFLSA-N 1 0 388.556 4.223 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NCc1ccc(Cl)s1 ZINC000180253786 822648794 /nfs/dbraw/zinc/64/87/94/822648794.db2.gz QHIGOPWUMFRANB-UHFFFAOYSA-N 1 0 392.956 4.245 20 0 GIADRO C[C@@H]([NH2+]C[C@H](O)COCc1ccccc1F)c1nc(-c2ccccc2)cs1 ZINC000184515590 822648872 /nfs/dbraw/zinc/64/88/72/822648872.db2.gz XPVSUILHMPURTR-QAPCUYQASA-N 1 0 386.492 4.178 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1cc(NC(=O)C(C)C)ccc1C)CC(C)C ZINC000048256302 822649110 /nfs/dbraw/zinc/64/91/10/822649110.db2.gz NSMPYSHIFBLFBI-LJQANCHMSA-N 1 0 390.572 4.468 20 0 GIADRO CCCc1c(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cnn1-c1cccc(F)c1 ZINC000184517263 822649565 /nfs/dbraw/zinc/64/95/65/822649565.db2.gz FXEIGGUUBNIUDL-LJQANCHMSA-N 1 0 399.514 4.056 20 0 GIADRO Cc1nc(-c2cc3c(s2)CCN(C(=O)c2cccc(C[NH+](C)C)c2)C3)cs1 ZINC000180258783 822649585 /nfs/dbraw/zinc/64/95/85/822649585.db2.gz UGHOZOFANOPOOM-UHFFFAOYSA-N 1 0 397.569 4.440 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)C[NH2+][C@H](c2ccc(Cl)cc2F)C(C)C)cc1 ZINC000180258605 822649609 /nfs/dbraw/zinc/64/96/09/822649609.db2.gz LZZKUNDTFSPMSE-FQEVSTJZSA-N 1 0 391.874 4.363 20 0 GIADRO CC(=O)Nc1ccc(C)c(NC(=O)NC2CC[NH+](Cc3cccc(C)c3)CC2)c1 ZINC000048269402 822650111 /nfs/dbraw/zinc/65/01/11/822650111.db2.gz OFDNJJOGODVYEX-UHFFFAOYSA-N 1 0 394.519 4.048 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)Nc2cc(NC(C)=O)ccc2C)cc1 ZINC000048273634 822650779 /nfs/dbraw/zinc/65/07/79/822650779.db2.gz ZUPXICFVGIZESO-UHFFFAOYSA-N 1 0 382.508 4.117 20 0 GIADRO CC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(F)cc2N(C)C)c2ccc(F)cc2C1 ZINC000184532989 822652255 /nfs/dbraw/zinc/65/22/55/822652255.db2.gz GXXOKXQZNRILGN-SZNDQCEHSA-N 1 0 387.474 4.175 20 0 GIADRO COc1cc(C[N@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)ccc1OC(C)C ZINC000180280982 822654295 /nfs/dbraw/zinc/65/42/95/822654295.db2.gz ZMDJUKWPLRHXFP-DXPJPUQTSA-N 1 0 375.534 4.413 20 0 GIADRO CCC[C@@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(C(F)(F)F)c1 ZINC000455440140 822654341 /nfs/dbraw/zinc/65/43/41/822654341.db2.gz AVISMFVCLISVDU-HQSKLWIPSA-N 1 0 383.458 4.471 20 0 GIADRO COc1ccc(Cl)cc1[C@H](CC(C)C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000455444905 822655401 /nfs/dbraw/zinc/65/54/01/822655401.db2.gz KTNVAOYLFJVEOT-PHSGOXPASA-N 1 0 393.959 4.360 20 0 GIADRO Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000048371689 822657089 /nfs/dbraw/zinc/65/70/89/822657089.db2.gz LCMHXYMTOVULEZ-UHFFFAOYSA-N 1 0 394.519 4.242 20 0 GIADRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N(C)C[C@@H](C)c1nccs1 ZINC000184564258 822658198 /nfs/dbraw/zinc/65/81/98/822658198.db2.gz AUKWRUCTCNUKBP-MJGOQNOKSA-N 1 0 388.581 4.045 20 0 GIADRO COc1ccc(Br)cc1CN(C)C(=O)Nc1c(C)cc(C)nc1C ZINC000455466589 822659940 /nfs/dbraw/zinc/65/99/40/822659940.db2.gz FNJATNGYHDIMEK-UHFFFAOYSA-N 1 0 392.297 4.442 20 0 GIADRO Cc1ccccc1C[C@@H](C)NC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180302921 822660211 /nfs/dbraw/zinc/66/02/11/822660211.db2.gz JSOFNPHILMJMCU-HXUWFJFHSA-N 1 0 394.563 4.269 20 0 GIADRO CCN(C(=O)Nc1ccc(-c2ncco2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000184584334 822661481 /nfs/dbraw/zinc/66/14/81/822661481.db2.gz ZUPFMDIBVPWFHW-NRFANRHFSA-N 1 0 390.487 4.470 20 0 GIADRO COc1ccc([C@@H](CNC(=O)Nc2c(C)cc(C)nc2C)[NH+]2CCCCC2)cc1 ZINC000455479038 822662476 /nfs/dbraw/zinc/66/24/76/822662476.db2.gz NLWHCPRKBDBOJB-OAQYLSRUSA-N 1 0 396.535 4.364 20 0 GIADRO Cc1ccc(-c2ccc(C(=O)NC3CC[NH+](Cc4cccnc4)CC3)s2)o1 ZINC000180329372 822664461 /nfs/dbraw/zinc/66/44/61/822664461.db2.gz JADTVSGBMFKJEQ-UHFFFAOYSA-N 1 0 381.501 4.106 20 0 GIADRO CC(C)[NH+](CCNC(=O)c1ccc(Br)cc1C(F)(F)F)C(C)C ZINC000180330142 822664468 /nfs/dbraw/zinc/66/44/68/822664468.db2.gz JIGJZGYKFCQCBY-UHFFFAOYSA-N 1 0 395.263 4.317 20 0 GIADRO COc1ccc(OC)c([C@H](C)NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000184602714 822664488 /nfs/dbraw/zinc/66/44/88/822664488.db2.gz UGKXTMFTESEHCB-SFHVURJKSA-N 1 0 396.531 4.183 20 0 GIADRO Cc1c(NC(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2)cccc1-c1ncco1 ZINC000455495912 822665821 /nfs/dbraw/zinc/66/58/21/822665821.db2.gz WMPCDGQGSZBPJN-INIZCTEOSA-N 1 0 378.476 4.292 20 0 GIADRO Clc1ccccc1[C@@H]([NH2+]CCc1nccs1)c1ccc2c(c1)OCCO2 ZINC000180341101 822666600 /nfs/dbraw/zinc/66/66/00/822666600.db2.gz CWJLNBHQQRKGJM-FQEVSTJZSA-N 1 0 386.904 4.489 20 0 GIADRO CC[C@H](C)[NH2+][C@H](CNC(=O)Nc1cccc(-c2ncco2)c1C)c1ccco1 ZINC000455504414 822667434 /nfs/dbraw/zinc/66/74/34/822667434.db2.gz IEWHUOAQDXMKPE-KBXCAEBGSA-N 1 0 382.464 4.494 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@H]1C[C@@H]1c1ccccc1 ZINC000180357337 822669873 /nfs/dbraw/zinc/66/98/73/822669873.db2.gz PPCZUVOWGPDVSF-FYYLOGMGSA-N 1 0 392.547 4.133 20 0 GIADRO CCOc1cccc2cc([C@@H](C)[NH2+]CC(=O)N(C)Cc3ccccc3OC)oc21 ZINC000180360120 822670109 /nfs/dbraw/zinc/67/01/09/822670109.db2.gz YXRJFJWOYLIPQS-MRXNPFEDSA-N 1 0 396.487 4.149 20 0 GIADRO COC[C@H]([NH2+]Cc1ccc(OCc2ccccn2)cc1)c1ccc(F)c(F)c1 ZINC000180364247 822670666 /nfs/dbraw/zinc/67/06/66/822670666.db2.gz OFNAZLCEUZVJRD-QFIPXVFZSA-N 1 0 384.426 4.416 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1cccc(Cl)c1F ZINC000184648861 822670768 /nfs/dbraw/zinc/67/07/68/822670768.db2.gz UMMFXHVGPNKIOV-QWHCGFSZSA-N 1 0 384.904 4.141 20 0 GIADRO COc1ccc(CC[C@@H](C)Nc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)cc1 ZINC000184652638 822671128 /nfs/dbraw/zinc/67/11/28/822671128.db2.gz HYGLSRAYEOIDRY-GOSISDBHSA-N 1 0 383.536 4.327 20 0 GIADRO COc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccccc2)c(C(F)(F)F)c1 ZINC000048550109 822671556 /nfs/dbraw/zinc/67/15/56/822671556.db2.gz RYNBMHKVQKJDTG-UHFFFAOYSA-N 1 0 395.425 4.310 20 0 GIADRO O=C(Nc1cc(F)cc(F)c1F)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000455540984 822672481 /nfs/dbraw/zinc/67/24/81/822672481.db2.gz MDHGTUZVSWKUPM-JKSUJKDBSA-N 1 0 389.421 4.090 20 0 GIADRO COc1ccc([C@H](C[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)N(C)C)cc1OC ZINC000180379182 822672603 /nfs/dbraw/zinc/67/26/03/822672603.db2.gz BMUZYKKIWZYLOF-KSSFIOAISA-N 1 0 394.462 4.259 20 0 GIADRO COc1ccc([C@@H](C[NH2+][C@@H]2CCSc3ccc(F)cc32)N(C)C)cc1OC ZINC000180381461 822673034 /nfs/dbraw/zinc/67/30/34/822673034.db2.gz STNGNOXFHLTQLH-QZTJIDSGSA-N 1 0 390.524 4.272 20 0 GIADRO C[C@H](NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C)c1ccc(C(F)(F)F)cc1 ZINC000048568524 822673070 /nfs/dbraw/zinc/67/30/70/822673070.db2.gz QNAJKMGYBUYJKA-LRDDRELGSA-N 1 0 385.455 4.430 20 0 GIADRO Cc1nc(C)c([C@H](C)[NH2+][C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)s1 ZINC000184669435 822673392 /nfs/dbraw/zinc/67/33/92/822673392.db2.gz RYMYPTJVSITAHZ-SWLSCSKDSA-N 1 0 397.466 4.230 20 0 GIADRO O=C(N[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1)NC1CC[NH+](C2CCC2)CC1 ZINC000455556220 822674224 /nfs/dbraw/zinc/67/42/24/822674224.db2.gz HRRSLQAOBWPOQA-VQIMIIECSA-N 1 0 375.944 4.292 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cc(F)cc(F)c1F ZINC000455560201 822674581 /nfs/dbraw/zinc/67/45/81/822674581.db2.gz CHGTWDADWZKWSU-INIZCTEOSA-N 1 0 391.437 4.480 20 0 GIADRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)c1cccn1C1CCCC1)c1ccccc1O2 ZINC000180390479 822674708 /nfs/dbraw/zinc/67/47/08/822674708.db2.gz KUWUWPLOXIJAAG-FQEVSTJZSA-N 1 0 393.531 4.321 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)N1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000455562441 822674958 /nfs/dbraw/zinc/67/49/58/822674958.db2.gz OCIUIQSJTDLGML-UHFFFAOYSA-N 1 0 393.934 4.327 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1)c1ccc2c(c1)OCCCO2 ZINC000180407780 822676657 /nfs/dbraw/zinc/67/66/57/822676657.db2.gz RKSJMNAXAUGCIU-SFHVURJKSA-N 1 0 394.515 4.325 20 0 GIADRO CC[C@@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1)c1ccc(Cl)cc1 ZINC000184687851 822676650 /nfs/dbraw/zinc/67/66/50/822676650.db2.gz WGIZECAZBOKQCG-GOSISDBHSA-N 1 0 396.915 4.260 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)N[C@@H]2CCCOc3c(Cl)cccc32)cc1 ZINC000180418720 822678285 /nfs/dbraw/zinc/67/82/85/822678285.db2.gz PNDXMRDYDNEYKB-LJQANCHMSA-N 1 0 387.911 4.115 20 0 GIADRO CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@H]2CCN(Cc3ccccn3)C[C@@H]2C)c1 ZINC000180421201 822678622 /nfs/dbraw/zinc/67/86/22/822678622.db2.gz SDUNZSNVJPCEBC-YDHSSHFGSA-N 1 0 394.563 4.066 20 0 GIADRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)Nc1cc(F)cc(F)c1F ZINC000455585251 822678830 /nfs/dbraw/zinc/67/88/30/822678830.db2.gz JUAJDYZXEKJZBU-UHFFFAOYSA-N 1 0 377.410 4.138 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3cc(F)c(F)c(F)c3F)cc2)CC1 ZINC000180423053 822679036 /nfs/dbraw/zinc/67/90/36/822679036.db2.gz FCTWWWDZFVVKJJ-UHFFFAOYSA-N 1 0 395.400 4.026 20 0 GIADRO CC[C@@H](C)C(=O)Nc1cccc(C[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)c1 ZINC000180423591 822679189 /nfs/dbraw/zinc/67/91/89/822679189.db2.gz CDGRPVOBNZCHCD-SJORKVTESA-N 1 0 395.503 4.479 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)N[C@H](c2ccccc2)C(F)F)[C@H]1c1cccs1 ZINC000455587667 822679536 /nfs/dbraw/zinc/67/95/36/822679536.db2.gz GLNUETYSUDAYHL-NXHRZFHOSA-N 1 0 393.503 4.437 20 0 GIADRO Cc1ccsc1[C@@H]1C[C@H]1C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180427654 822679904 /nfs/dbraw/zinc/67/99/04/822679904.db2.gz DAHDVIVNZAZQQS-WOJBJXKFSA-N 1 0 383.561 4.320 20 0 GIADRO CC[NH+]1CCC(NC(=O)Nc2cc(NC(=O)Nc3ccccc3)ccc2C)CC1 ZINC000048737880 822680258 /nfs/dbraw/zinc/68/02/58/822680258.db2.gz XLWOQQSLVDBAAK-UHFFFAOYSA-N 1 0 395.507 4.245 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(C(F)(F)F)c1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000048744699 822680690 /nfs/dbraw/zinc/68/06/90/822680690.db2.gz OEBQHMXDEKKQHB-AWEZNQCLSA-N 1 0 392.421 4.214 20 0 GIADRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)N[C@@H](c1ccccc1)C(F)F ZINC000455594093 822680672 /nfs/dbraw/zinc/68/06/72/822680672.db2.gz IAJRDNSJRLDNQT-SFHVURJKSA-N 1 0 393.503 4.266 20 0 GIADRO Cc1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc3c(c2)OCCCO3)c(C)c1 ZINC000048747569 822681001 /nfs/dbraw/zinc/68/10/01/822681001.db2.gz ZBMITDVIQNIMHK-UHFFFAOYSA-N 1 0 377.488 4.155 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]Cc2c(C)oc3ccccc32)c1 ZINC000184719933 822681526 /nfs/dbraw/zinc/68/15/26/822681526.db2.gz OQIKLAHPAFDGBW-CQSZACIVSA-N 1 0 382.460 4.265 20 0 GIADRO COCCC1(C[NH2+][C@@H](C)C(=O)Nc2ccccc2Br)CCCCC1 ZINC000184721271 822681836 /nfs/dbraw/zinc/68/18/36/822681836.db2.gz GXSOQXIQPAGOFT-HNNXBMFYSA-N 1 0 397.357 4.353 20 0 GIADRO Cc1c(-c2cc(C[NH2+][C@@H](C)c3ccc(OCC(F)(F)F)cc3)on2)cnn1C ZINC000184721205 822681848 /nfs/dbraw/zinc/68/18/48/822681848.db2.gz KAYKERXFLYCGNN-LBPRGKRZSA-N 1 0 394.397 4.175 20 0 GIADRO CNC(=O)COc1cccc(C[NH2+]Cc2ccc(-c3ccc(Cl)cc3)o2)c1 ZINC000048778845 822682686 /nfs/dbraw/zinc/68/26/86/822682686.db2.gz WWJBLFNEGUXTLH-UHFFFAOYSA-N 1 0 384.863 4.015 20 0 GIADRO C[N@H+](CCCCNC(=O)N1CCC(c2c[nH]c3cc(F)ccc32)CC1)C1CC1 ZINC000455603524 822682717 /nfs/dbraw/zinc/68/27/17/822682717.db2.gz FMVPZLVKQKOYIR-UHFFFAOYSA-N 1 0 386.515 4.070 20 0 GIADRO COc1ccc([C@@H](NC(=O)NCCCC[N@H+](C)C2CC2)c2ccc(C)cc2)cc1 ZINC000455603408 822682743 /nfs/dbraw/zinc/68/27/43/822682743.db2.gz FBIHDNCWWBMUQE-QHCPKHFHSA-N 1 0 395.547 4.267 20 0 GIADRO Cn1cc(CC[NH2+]Cc2ccc(-c3ccccc3Br)s2)cn1 ZINC000048784671 822683075 /nfs/dbraw/zinc/68/30/75/822683075.db2.gz CUPLPMZCBMJCKN-UHFFFAOYSA-N 1 0 376.323 4.243 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1ccc2ccccc2c1O ZINC000180444358 822683149 /nfs/dbraw/zinc/68/31/49/822683149.db2.gz HIXRHCXRCFFMCR-UHFFFAOYSA-N 1 0 389.499 4.319 20 0 GIADRO CC[C@@H]([NH2+]CCOc1cccc(NC(C)=O)c1)c1ccc(OC(F)F)cc1 ZINC000180449267 822684073 /nfs/dbraw/zinc/68/40/73/822684073.db2.gz AYTGDEXUIYMZMO-LJQANCHMSA-N 1 0 378.419 4.366 20 0 GIADRO Cc1nn(-c2ccccc2)cc1CCC[NH2+]Cc1cnc(-c2ccccc2)nc1 ZINC000048815491 822684226 /nfs/dbraw/zinc/68/42/26/822684226.db2.gz SMVXEDYZSBPFQQ-UHFFFAOYSA-N 1 0 383.499 4.360 20 0 GIADRO C[N@H+](CCCCNC(=O)N1CCC(F)(c2ccc(Cl)cc2)CC1)C1CC1 ZINC000455613547 822684554 /nfs/dbraw/zinc/68/45/54/822684554.db2.gz NNTOYSRJXNWUJS-UHFFFAOYSA-N 1 0 381.923 4.185 20 0 GIADRO O=C(CCC[NH2+]Cc1cnc(-c2ccccc2)nc1)Nc1ccc(Cl)cc1 ZINC000048824993 822684754 /nfs/dbraw/zinc/68/47/54/822684754.db2.gz GYSSYYQCWALHSF-UHFFFAOYSA-N 1 0 380.879 4.306 20 0 GIADRO O=C(Nc1cccc(C2CC2)n1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000455616273 822684918 /nfs/dbraw/zinc/68/49/18/822684918.db2.gz ISTSPNPLNGXPPK-XMMPIXPASA-N 1 0 390.531 4.479 20 0 GIADRO CCC[C@@H]1C[C@H](C(=O)N(c2cccc(SC)c2)C2CC[NH+](C)CC2)CCO1 ZINC000180453438 822685034 /nfs/dbraw/zinc/68/50/34/822685034.db2.gz HNWLXQOGLWERNF-YLJYHZDGSA-N 1 0 390.593 4.431 20 0 GIADRO CN(C(=O)N[C@H](c1ccccc1)C(F)F)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000455620410 822685309 /nfs/dbraw/zinc/68/53/09/822685309.db2.gz JQPLWIKTPHZFAL-OAHLLOKOSA-N 1 0 393.400 4.051 20 0 GIADRO COc1cc(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)ccc1OCc1cccs1 ZINC000180457406 822685776 /nfs/dbraw/zinc/68/57/76/822685776.db2.gz LEYOQENZLJQPMP-PXNSSMCTSA-N 1 0 391.558 4.042 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]CCCc2cccc(Cl)c2)c1 ZINC000180462493 822686466 /nfs/dbraw/zinc/68/64/66/822686466.db2.gz VASQFEULZXNELS-HNNXBMFYSA-N 1 0 390.911 4.297 20 0 GIADRO C[C@H](CN(C)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1nccs1 ZINC000184758531 822686931 /nfs/dbraw/zinc/68/69/31/822686931.db2.gz DXUQNWOTSCUKIB-QGZVFWFLSA-N 1 0 386.565 4.074 20 0 GIADRO O=C(Nc1cc(Cl)ccc1OC(F)(F)F)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000455634233 822687585 /nfs/dbraw/zinc/68/75/85/822687585.db2.gz DHYGCXLIILBBKZ-GFCCVEGCSA-N 1 0 391.821 4.188 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2C[C@@H]2c2cc(F)c(F)c(F)c2)CC1 ZINC000184783659 822690288 /nfs/dbraw/zinc/69/02/88/822690288.db2.gz PGCFNDPGXVVKII-IAGOWNOFSA-N 1 0 382.470 4.178 20 0 GIADRO Cc1cc(CSc2ccccc2C(=O)N2CCC(C[NH+]3CCCC3)CC2)on1 ZINC000049074243 822692232 /nfs/dbraw/zinc/69/22/32/822692232.db2.gz LAUNINZRPZOUCJ-UHFFFAOYSA-N 1 0 399.560 4.223 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)Nc1ccc([C@H]2CCOC2)cc1 ZINC000455656903 822692758 /nfs/dbraw/zinc/69/27/58/822692758.db2.gz CDSVNVSCVMYMPT-KNQAVFIVSA-N 1 0 393.531 4.319 20 0 GIADRO Cn1cc(C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2ccccc2)c(-c2cccnc2)n1 ZINC000180510226 822693955 /nfs/dbraw/zinc/69/39/55/822693955.db2.gz PPRXPKSGCXRPDV-GOTSBHOMSA-N 1 0 390.531 4.350 20 0 GIADRO Cn1cc([C@H]([NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)c2cccc(F)c2)cn1 ZINC000180519588 822695248 /nfs/dbraw/zinc/69/52/48/822695248.db2.gz AIQZKODFKRVYGW-RTBURBONSA-N 1 0 394.277 4.279 20 0 GIADRO Cc1nc(C)c([C@@H](C)[NH2+]C[C@@H](c2cccc(Cl)c2)N2CCOCC2)s1 ZINC000180535454 822697879 /nfs/dbraw/zinc/69/78/79/822697879.db2.gz YSGOAEZBKCSOIW-ACJLOTCBSA-N 1 0 379.957 4.137 20 0 GIADRO FC(F)(F)CC[N@@H+](Cc1cnc2ccc(Br)cn12)CC1CC1 ZINC000180536817 822698305 /nfs/dbraw/zinc/69/83/05/822698305.db2.gz DXOOUHCEQQOCFR-UHFFFAOYSA-N 1 0 376.220 4.261 20 0 GIADRO C[NH+](C)C1(CN[C@H](c2ccc(F)cc2)c2ccc(Cl)cc2)CCOCC1 ZINC000180542874 822699056 /nfs/dbraw/zinc/69/90/56/822699056.db2.gz UGUBLHFCASOGLN-FQEVSTJZSA-N 1 0 376.903 4.269 20 0 GIADRO Cc1csc([C@H](NC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)C(F)(F)F)n1 ZINC000455682435 822699831 /nfs/dbraw/zinc/69/98/31/822699831.db2.gz CJMLKJBPKRTHNZ-KBPBESRZSA-N 1 0 392.491 4.009 20 0 GIADRO O=C1c2ccccc2C(=O)N1CCC[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000180547572 822700025 /nfs/dbraw/zinc/70/00/25/822700025.db2.gz WOHOZYOKRKOPSI-KRWDZBQOSA-N 1 0 394.368 4.095 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)c2cc(Br)ccc2Cl)[NH+](C)C)cc1 ZINC000049407869 822700470 /nfs/dbraw/zinc/70/04/70/822700470.db2.gz PLEMRSQWIKOURS-QGZVFWFLSA-N 1 0 395.728 4.444 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(N[C@H](c2cnn(C)c2)c2cccc(F)c2)CC1 ZINC000180559441 822702280 /nfs/dbraw/zinc/70/22/80/822702280.db2.gz DWANMPPZUXQYIL-KOSHJBKYSA-N 1 0 392.522 4.464 20 0 GIADRO Cn1cc([C@H]([NH2+][C@H]2CCCN(c3cccc(F)c3)C2)c2cccc(F)c2)cn1 ZINC000180560075 822702564 /nfs/dbraw/zinc/70/25/64/822702564.db2.gz UZWTXZULJKANKQ-RBBKRZOGSA-N 1 0 382.458 4.046 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCc2c1cccc2Br)c1ccc(-n2cncn2)cc1 ZINC000180562433 822703132 /nfs/dbraw/zinc/70/31/32/822703132.db2.gz OLPXMIRGVZNDGW-YJYMSZOUSA-N 1 0 383.293 4.368 20 0 GIADRO CSc1ccc([C@H](CNC(=O)Nc2cncc(Cl)c2C)[NH+](C)C)cc1 ZINC000455692947 822703622 /nfs/dbraw/zinc/70/36/22/822703622.db2.gz KXMIKLLFXLSLCN-KRWDZBQOSA-N 1 0 378.929 4.190 20 0 GIADRO O=C(Nc1nc(CC(F)(F)F)cs1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000455693356 822703660 /nfs/dbraw/zinc/70/36/60/822703660.db2.gz DPWUBPAITAPFAE-AWEZNQCLSA-N 1 0 398.454 4.034 20 0 GIADRO CCC[C@H]([NH2+]Cc1cc(F)ccc1O)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000180570979 822704432 /nfs/dbraw/zinc/70/44/32/822704432.db2.gz QLMNGEKRXYTEEL-FQEVSTJZSA-N 1 0 385.483 4.029 20 0 GIADRO COc1ccc([C@H]([NH2+]C[C@H](O)c2cc(OC)cc(OC)c2)c2ccccc2)cc1 ZINC000180572713 822704667 /nfs/dbraw/zinc/70/46/67/822704667.db2.gz KOTIBZQSLCPUPG-BJKOFHAPSA-N 1 0 393.483 4.125 20 0 GIADRO Cc1ccc(F)c(Br)c1NC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000455700216 822706142 /nfs/dbraw/zinc/70/61/42/822706142.db2.gz VBLRGNWQSFKBND-LBPRGKRZSA-N 1 0 398.320 4.235 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1cn(C)nc1C1CCCCC1 ZINC000455708876 822709286 /nfs/dbraw/zinc/70/92/86/822709286.db2.gz GRPHAEZVXATWTH-KRWDZBQOSA-N 1 0 375.561 4.244 20 0 GIADRO C[C@H](c1nc2ccccc2s1)N(C)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000049795100 822709798 /nfs/dbraw/zinc/70/97/98/822709798.db2.gz AUXBKZVPWZZLGU-SJLPKXTDSA-N 1 0 396.560 4.172 20 0 GIADRO COc1ccc([C@@H]([NH2+]CCCOC[C@@H]2CCOC2)c2ccccc2Cl)cc1 ZINC000180604255 822709932 /nfs/dbraw/zinc/70/99/32/822709932.db2.gz AHPMHVNGBJUMSF-HTAPYJJXSA-N 1 0 389.923 4.471 20 0 GIADRO COc1cccc([C@@H](CNC(=O)N(C)[C@H]2CCCc3ccccc32)[NH+](C)C)c1 ZINC000049798665 822710161 /nfs/dbraw/zinc/71/01/61/822710161.db2.gz AKCUTRCHEZNMCQ-FCHUYYIVSA-N 1 0 381.520 4.017 20 0 GIADRO Cc1cc(C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)ccc1-n1cncn1 ZINC000180618921 822713892 /nfs/dbraw/zinc/71/38/92/822713892.db2.gz VWZRXIQDDQSOIE-FPOVZHCZSA-N 1 0 380.492 4.037 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc(Cl)c2ccccc21)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000184925334 822714021 /nfs/dbraw/zinc/71/40/21/822714021.db2.gz OZZAHDUUABRBDG-KBPBESRZSA-N 1 0 395.890 4.270 20 0 GIADRO CC[C@@H]([NH2+]Cc1cccc(C(=O)NCC(C)C)c1)c1ccc2c(c1)OCCO2 ZINC000180620417 822714054 /nfs/dbraw/zinc/71/40/54/822714054.db2.gz VZOYHYYICUNSLN-HXUWFJFHSA-N 1 0 382.504 4.085 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)N3CCC[C@@]4(CC=CCC4)C3)c2)CC1 ZINC000184924596 822714055 /nfs/dbraw/zinc/71/40/55/822714055.db2.gz AOYAHFADMGXCFK-QHCPKHFHSA-N 1 0 382.552 4.183 20 0 GIADRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000180621049 822714316 /nfs/dbraw/zinc/71/43/16/822714316.db2.gz NKSPLNHTVYWJAR-HXUWFJFHSA-N 1 0 395.507 4.135 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1c[nH]cc1-c1ccc(Cl)s1)c1cccs1 ZINC000050024734 822714684 /nfs/dbraw/zinc/71/46/84/822714684.db2.gz JDKQPIGKACBNGJ-CYBMUJFWSA-N 1 0 379.938 4.491 20 0 GIADRO O=C(Nc1ccc(Oc2cnccn2)cc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000050032974 822715166 /nfs/dbraw/zinc/71/51/66/822715166.db2.gz GFEVOCHYRDSBKD-LJQANCHMSA-N 1 0 388.471 4.120 20 0 GIADRO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C(=O)Nc1ccc2c(c1)CCCC2 ZINC000455729139 822715648 /nfs/dbraw/zinc/71/56/48/822715648.db2.gz DOFIBAOQDORMPT-UNMCSNQZSA-N 1 0 378.520 4.117 20 0 GIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)CCCC3)CC1 ZINC000455733869 822716561 /nfs/dbraw/zinc/71/65/61/822716561.db2.gz PAHHOECAIUYOIF-HSZRJFAPSA-N 1 0 392.547 4.479 20 0 GIADRO COc1cc(C)c(Br)cc1NC1CC[NH+](Cc2ccccn2)CC1 ZINC000184957400 822718350 /nfs/dbraw/zinc/71/83/50/822718350.db2.gz RXGXGVOPDJCQEB-UHFFFAOYSA-N 1 0 390.325 4.238 20 0 GIADRO C[C@@H]([NH2+]CC[C@@H]1CCOC1=O)c1nc(-c2ccc(Br)cc2)cs1 ZINC000184960045 822718724 /nfs/dbraw/zinc/71/87/24/822718724.db2.gz TWMNUDMVJXOBES-DGCLKSJQSA-N 1 0 395.322 4.176 20 0 GIADRO CC(C)c1nnc(NC(=O)C[NH2+][C@@H](Cc2ccccc2)c2cccs2)s1 ZINC000184969927 822719813 /nfs/dbraw/zinc/71/98/13/822719813.db2.gz QMUNFGCCGUQRLF-HNNXBMFYSA-N 1 0 386.546 4.235 20 0 GIADRO CCCn1ncc(NC(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)c1C1CC1 ZINC000455762241 822721776 /nfs/dbraw/zinc/72/17/76/822721776.db2.gz OSEAQTDSFGHWIY-UHFFFAOYSA-N 1 0 395.551 4.347 20 0 GIADRO Cc1[nH]c2ccccc2c1C1CC[NH+](Cc2cc(-c3cnn(C)c3)no2)CC1 ZINC000184985787 822721941 /nfs/dbraw/zinc/72/19/41/822721941.db2.gz WIRLYCXWPGPRJX-UHFFFAOYSA-N 1 0 375.476 4.244 20 0 GIADRO COCCOc1ccc(C[NH2+][C@H](C)c2ccc(Br)cc2O)cc1 ZINC000185012567 822725291 /nfs/dbraw/zinc/72/52/91/822725291.db2.gz UEQRAVMSGYAYAT-CYBMUJFWSA-N 1 0 380.282 4.031 20 0 GIADRO CC[NH+](CC)CCOC1CCN(C(=O)Nc2ccccc2C(C)(F)F)CC1 ZINC000455780585 822725388 /nfs/dbraw/zinc/72/53/88/822725388.db2.gz YLZUHMDTHNLZQO-UHFFFAOYSA-N 1 0 383.483 4.153 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(N2CCCC2=O)c1)c1ccc(Br)cc1O ZINC000185019708 822726016 /nfs/dbraw/zinc/72/60/16/822726016.db2.gz VYDPBJBRWFFKAX-CYBMUJFWSA-N 1 0 389.293 4.132 20 0 GIADRO C[C@H](c1ccc(C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)cc1)C(F)(F)F ZINC000455818831 822731723 /nfs/dbraw/zinc/73/17/23/822731723.db2.gz HZXFXYLQMQOEJH-MRXNPFEDSA-N 1 0 398.469 4.069 20 0 GIADRO CCCn1ncc(NC(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1C1CC1 ZINC000455821903 822732164 /nfs/dbraw/zinc/73/21/64/822732164.db2.gz DFFOPAXWPVDSMP-IAGOWNOFSA-N 1 0 375.561 4.050 20 0 GIADRO CCCn1ncc(NC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c1C1CC1 ZINC000455826762 822732729 /nfs/dbraw/zinc/73/27/29/822732729.db2.gz JUMKJVJKLPWDGP-QGZVFWFLSA-N 1 0 387.553 4.191 20 0 GIADRO Fc1cc(C[NH2+]Cc2cc(-c3ccccc3)cs2)cnc1N1CCOCC1 ZINC000185072564 822732810 /nfs/dbraw/zinc/73/28/10/822732810.db2.gz VAPCUSYBXFNGSJ-UHFFFAOYSA-N 1 0 383.492 4.076 20 0 GIADRO COc1ccc(C(=O)N2CCC([NH+]3CCCCC3)CC2)cc1-c1ccccc1 ZINC000050611003 822734660 /nfs/dbraw/zinc/73/46/60/822734660.db2.gz PQSPZPRIKFQNHD-UHFFFAOYSA-N 1 0 378.516 4.453 20 0 GIADRO CCN(CC)c1ccc(C[NH2+][C@H](C)c2cc(Br)ccc2O)cn1 ZINC000185085036 822734773 /nfs/dbraw/zinc/73/47/73/822734773.db2.gz CZMJTBXPWJNZBP-CYBMUJFWSA-N 1 0 378.314 4.247 20 0 GIADRO O=C(C[NH2+][C@H](Cn1cnc2ccccc21)c1ccc(F)cc1)Nc1ccccc1 ZINC000185090593 822735607 /nfs/dbraw/zinc/73/56/07/822735607.db2.gz RUGFGJLZPCESRG-OAQYLSRUSA-N 1 0 388.446 4.145 20 0 GIADRO CC[C@H]([NH2+]C[C@@H](O)COc1ccc(Oc2ccccc2)cc1)c1nccs1 ZINC000185095116 822736487 /nfs/dbraw/zinc/73/64/87/822736487.db2.gz FABLDVMVRGKJGG-UZLBHIALSA-N 1 0 384.501 4.416 20 0 GIADRO COc1cccc(C2=CCN(C(=O)Nc3ccc4c(c3)CC[C@@H]4[NH+](C)C)C2)c1 ZINC000455865950 822739442 /nfs/dbraw/zinc/73/94/42/822739442.db2.gz URWWUYQOZPTJAO-QFIPXVFZSA-N 1 0 377.488 4.175 20 0 GIADRO COCCC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455867862 822739711 /nfs/dbraw/zinc/73/97/11/822739711.db2.gz VIFCVYVRLVZSIB-NZQKXSOJSA-N 1 0 395.547 4.395 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CC(C)(C)O[C@@](C)(C(F)(F)F)C3)ccc21 ZINC000455868684 822739861 /nfs/dbraw/zinc/73/98/61/822739861.db2.gz VUOVIOLZRPLABN-VQIMIIECSA-N 1 0 399.457 4.199 20 0 GIADRO Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455868755 822739895 /nfs/dbraw/zinc/73/98/95/822739895.db2.gz WCMJIMHLFHPTQG-XOBRGWDASA-N 1 0 383.540 4.378 20 0 GIADRO Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455868753 822739900 /nfs/dbraw/zinc/73/99/00/822739900.db2.gz WCMJIMHLFHPTQG-VBKZILBWSA-N 1 0 383.540 4.378 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCC(CCCn4ccnc4)CC3)ccc21 ZINC000455869476 822740037 /nfs/dbraw/zinc/74/00/37/822740037.db2.gz WMZQAVCMNWWQCB-JOCHJYFZSA-N 1 0 395.551 4.156 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N[C@H]3CCCN(c4ccccc4)C3)ccc21 ZINC000455876103 822741065 /nfs/dbraw/zinc/74/10/65/822741065.db2.gz BBTVTQGDABXGJE-SIKLNZKXSA-N 1 0 378.520 4.026 20 0 GIADRO CCN(Cc1ccc(OC)cc1OC)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455876264 822741072 /nfs/dbraw/zinc/74/10/72/822741072.db2.gz BHHYAPWBQPRDOO-NRFANRHFSA-N 1 0 397.519 4.307 20 0 GIADRO CCCCn1cc(C(=O)Nc2cc(C[NH+]3CCSCC3)ccc2C)c(C)n1 ZINC000185146910 822742797 /nfs/dbraw/zinc/74/27/97/822742797.db2.gz BSLSSRVDHPWFBM-UHFFFAOYSA-N 1 0 386.565 4.101 20 0 GIADRO COc1ccc(C(=O)C2CC[NH+](Cc3cccc(OC(F)F)c3)CC2)cc1 ZINC000050959442 822743296 /nfs/dbraw/zinc/74/32/96/822743296.db2.gz UKPOWDFSAOAMEU-UHFFFAOYSA-N 1 0 375.415 4.392 20 0 GIADRO COC(=O)C(C)(C)c1ccc(NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)cc1 ZINC000455893071 822743682 /nfs/dbraw/zinc/74/36/82/822743682.db2.gz CIBBWJIELWHLFI-HXUWFJFHSA-N 1 0 395.503 4.330 20 0 GIADRO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000051059394 822745338 /nfs/dbraw/zinc/74/53/38/822745338.db2.gz HEZMOTLHUKYWER-MRXNPFEDSA-N 1 0 375.900 4.123 20 0 GIADRO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000051061052 822745541 /nfs/dbraw/zinc/74/55/41/822745541.db2.gz LOFHHKPJOWFNJY-MRXNPFEDSA-N 1 0 375.900 4.123 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1cc2c(cc1Br)OCCO2)c1cc(F)ccc1O ZINC000185180334 822746124 /nfs/dbraw/zinc/74/61/24/822746124.db2.gz MXGKYFIFKAECBT-QWRGUYRKSA-N 1 0 396.256 4.477 20 0 GIADRO Cc1ccc(C(=O)NC2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)s1 ZINC000051098302 822746368 /nfs/dbraw/zinc/74/63/68/822746368.db2.gz UZQIWLQSHKFPOX-UHFFFAOYSA-N 1 0 398.450 4.350 20 0 GIADRO COc1ccc(C[NH2+][C@H]2CCCO[C@@H]2CC(C)C)cc1OCc1cccnc1 ZINC000185189151 822747143 /nfs/dbraw/zinc/74/71/43/822747143.db2.gz ODVARRLQTZYVLT-RBBKRZOGSA-N 1 0 384.520 4.353 20 0 GIADRO C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133179 822747469 /nfs/dbraw/zinc/74/74/69/822747469.db2.gz GVJKEUGRSMYKRE-RZFNWQHOSA-N 1 0 398.522 4.272 20 0 GIADRO COc1cc(C[NH2+][C@H]2CCCO[C@H]2CC(C)C)ccc1OCc1ccncc1 ZINC000185198876 822748485 /nfs/dbraw/zinc/74/84/85/822748485.db2.gz HCFIZYFOWONMAS-UNMCSNQZSA-N 1 0 384.520 4.353 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC[C@H](c3ccccc3)C(C)(C)CO)ccc21 ZINC000455915487 822748492 /nfs/dbraw/zinc/74/84/92/822748492.db2.gz KDKUVHXYROEJFE-FGZHOGPDSA-N 1 0 395.547 4.159 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)NC[C@@H](c3ccccc3)C(C)(C)CO)ccc21 ZINC000455915490 822748536 /nfs/dbraw/zinc/74/85/36/822748536.db2.gz KDKUVHXYROEJFE-VXKWHMMOSA-N 1 0 395.547 4.159 20 0 GIADRO C[C@H](NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)c1cccc(-n2ccnc2)c1 ZINC000455915532 822748549 /nfs/dbraw/zinc/74/85/49/822748549.db2.gz KERWJLPZVACDBM-AOMKIAJQSA-N 1 0 389.503 4.304 20 0 GIADRO CC[C@@H]([NH2+]CCc1ccc(NC(C)=O)cc1)c1cc(Br)ccc1O ZINC000185210316 822749844 /nfs/dbraw/zinc/74/98/44/822749844.db2.gz WSLGUCIHBAVBID-GOSISDBHSA-N 1 0 391.309 4.397 20 0 GIADRO C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000185216693 822750302 /nfs/dbraw/zinc/75/03/02/822750302.db2.gz PSDBDCNEDKURGE-MRXNPFEDSA-N 1 0 378.944 4.129 20 0 GIADRO CC[C@@H]1CCCC[C@@H]1OCC(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000185216762 822750355 /nfs/dbraw/zinc/75/03/55/822750355.db2.gz SUHBVTVVCLKSKX-GCJKJVERSA-N 1 0 387.568 4.141 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CCC[C@@H]3c3nc4ccccc4[nH]3)ccc21 ZINC000455928049 822751132 /nfs/dbraw/zinc/75/11/32/822751132.db2.gz NTHYMPHISLYKPB-LEWJYISDSA-N 1 0 389.503 4.481 20 0 GIADRO Cc1nc(NC(=O)N2CC[C@H](C[NH+](C)C)C2)sc1Cc1ccccc1Cl ZINC000455931228 822751770 /nfs/dbraw/zinc/75/17/70/822751770.db2.gz OSAXJLFWDHNFMQ-CQSZACIVSA-N 1 0 392.956 4.111 20 0 GIADRO COc1ccccc1CN(C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)C1CC1 ZINC000455935133 822752615 /nfs/dbraw/zinc/75/26/15/822752615.db2.gz RIFCIPLARUKARW-OAQYLSRUSA-N 1 0 379.504 4.441 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc21 ZINC000455937246 822753156 /nfs/dbraw/zinc/75/31/56/822753156.db2.gz SDJBNQIOCXDDIG-OAQYLSRUSA-N 1 0 398.938 4.243 20 0 GIADRO CCN(CCC1CC1)C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000455942209 822754397 /nfs/dbraw/zinc/75/43/97/822754397.db2.gz KCCPLBHZFDSGHA-UHFFFAOYSA-N 1 0 379.932 4.467 20 0 GIADRO COc1ccc([C@@H](C)NC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)cc1OC ZINC000455946173 822755756 /nfs/dbraw/zinc/75/57/56/822755756.db2.gz WVFVHAIZOWHTMJ-KUHUBIRLSA-N 1 0 383.492 4.135 20 0 GIADRO C[C@H]1CCCCN(C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)C1 ZINC000455947085 822755880 /nfs/dbraw/zinc/75/58/80/822755880.db2.gz RAFPHXASNMWITG-HNNXBMFYSA-N 1 0 379.932 4.467 20 0 GIADRO C[C@@H]1C[C@@H](C)CN(C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)C1 ZINC000455947333 822756082 /nfs/dbraw/zinc/75/60/82/822756082.db2.gz RKEZCLNUSQPWBZ-HUUCEWRRSA-N 1 0 379.932 4.323 20 0 GIADRO C[C@H]1SCCN(C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)[C@@H]1C ZINC000455947329 822756102 /nfs/dbraw/zinc/75/61/02/822756102.db2.gz RJSHLNFBKFQUJN-ZIAGYGMSSA-N 1 0 397.972 4.171 20 0 GIADRO C[C@@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)c1cc2cc(Cl)ccc2o1 ZINC000185269079 822757300 /nfs/dbraw/zinc/75/73/00/822757300.db2.gz CLNXIXHEWQEJNP-CYBMUJFWSA-N 1 0 389.858 4.308 20 0 GIADRO CC1(CC[NH2+]Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)OCCO1 ZINC000185271299 822757568 /nfs/dbraw/zinc/75/75/68/822757568.db2.gz FYSJZKORVHZVBF-UHFFFAOYSA-N 1 0 392.839 4.283 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000185275244 822758242 /nfs/dbraw/zinc/75/82/42/822758242.db2.gz QHHNUNFGYPZTRH-GFCCVEGCSA-N 1 0 388.855 4.383 20 0 GIADRO COc1ccc(C[C@@H](C)C[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)cc1F ZINC000185281138 822758906 /nfs/dbraw/zinc/75/89/06/822758906.db2.gz LZRTUOSBUKQKDX-CVEARBPZSA-N 1 0 386.467 4.320 20 0 GIADRO COc1ccc([C@H](C)[NH2+]Cc2cnc(N3CCOCC3)c(F)c2)c2ccccc12 ZINC000185280894 822758919 /nfs/dbraw/zinc/75/89/19/822758919.db2.gz YKMXBWOKPUWBEM-INIZCTEOSA-N 1 0 395.478 4.070 20 0 GIADRO COc1ccc(C[C@@H](C)C[NH2+]C2CCN(C(=O)c3ccc(C)cc3)CC2)cc1F ZINC000185285203 822759646 /nfs/dbraw/zinc/75/96/46/822759646.db2.gz NGVQUEASLFQOKQ-GOSISDBHSA-N 1 0 398.522 4.216 20 0 GIADRO CC(C)C[C@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)c1cccs1 ZINC000185292704 822760765 /nfs/dbraw/zinc/76/07/65/822760765.db2.gz WZZNINFWEBJMOV-SFHVURJKSA-N 1 0 378.563 4.165 20 0 GIADRO C[C@@H]([NH2+]C[C@](C)(O)c1cccc(Cl)c1)c1ccc(OCc2nccn2C)cc1 ZINC000185310612 822763655 /nfs/dbraw/zinc/76/36/55/822763655.db2.gz HHNWDTXVKHUPAO-ZHRRBRCNSA-N 1 0 399.922 4.211 20 0 GIADRO C[C@H]([NH2+]C[C@](C)(O)c1cccc(Cl)c1)c1ccc(OCc2nccn2C)cc1 ZINC000185310597 822763719 /nfs/dbraw/zinc/76/37/19/822763719.db2.gz HHNWDTXVKHUPAO-AOMKIAJQSA-N 1 0 399.922 4.211 20 0 GIADRO C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000455998668 822764086 /nfs/dbraw/zinc/76/40/86/822764086.db2.gz QZYIDWCDBKCBCR-UHVFKWDWSA-N 1 0 382.935 4.470 20 0 GIADRO CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000051531389 822764529 /nfs/dbraw/zinc/76/45/29/822764529.db2.gz XVJJNWYGAIOUIC-RDPSFJRHSA-N 1 0 394.559 4.258 20 0 GIADRO Cc1cnc([C@@H](NC(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C2CC2)s1 ZINC000174293335 822765005 /nfs/dbraw/zinc/76/50/05/822765005.db2.gz WKGUJBXGEFOTIP-UXHICEINSA-N 1 0 398.576 4.209 20 0 GIADRO CC(C)[NH+]1CCC(N[C@H](C)C(=O)Nc2ccccc2Oc2ccccc2)CC1 ZINC000174294566 822765173 /nfs/dbraw/zinc/76/51/73/822765173.db2.gz QROYNDRODGVMTC-GOSISDBHSA-N 1 0 381.520 4.268 20 0 GIADRO CS[C@@H]1CN(C(=O)c2ccc([C@@H](C)C(F)(F)F)cc2)C[C@@H]1[NH+]1CCCC1 ZINC000456011754 822766160 /nfs/dbraw/zinc/76/61/60/822766160.db2.gz SENVIRBBNUFTRQ-XOKHGSTOSA-N 1 0 386.483 4.004 20 0 GIADRO C[C@@H](CCOc1ccccc1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000174305891 822768106 /nfs/dbraw/zinc/76/81/06/822768106.db2.gz WXKDCTQNRCNLRF-ZSJMHYJMSA-N 1 0 392.543 4.403 20 0 GIADRO Cc1ccc(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c(C2CC2)n1 ZINC000456042793 822770057 /nfs/dbraw/zinc/77/00/57/822770057.db2.gz BTSLDMXMWBNLHV-HXUWFJFHSA-N 1 0 377.532 4.300 20 0 GIADRO O=C(C[N@@H+]1CCC[C@@H]1c1cccs1)NCc1cccc(OCC(F)(F)F)c1 ZINC000051653503 822771523 /nfs/dbraw/zinc/77/15/23/822771523.db2.gz NOHOEGHRIOHMQT-MRXNPFEDSA-N 1 0 398.450 4.143 20 0 GIADRO O=C(N[C@@H](c1ccsc1)c1ccc(Cl)cc1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000174328441 822771815 /nfs/dbraw/zinc/77/18/15/822771815.db2.gz HGXWWQDKNWHCLP-RBUKOAKNSA-N 1 0 387.936 4.147 20 0 GIADRO O=C(N[C@H](c1ccsc1)c1ccc(Cl)cc1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000174328453 822771842 /nfs/dbraw/zinc/77/18/42/822771842.db2.gz HGXWWQDKNWHCLP-MOPGFXCFSA-N 1 0 387.936 4.147 20 0 GIADRO CCCCN(C(=O)c1ccc(-c2nc[nH]n2)cc1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000185363613 822772125 /nfs/dbraw/zinc/77/21/25/822772125.db2.gz DGQMAKDEFMNIMF-UHFFFAOYSA-N 1 0 383.540 4.023 20 0 GIADRO Cc1cnc([C@H]([NH2+]C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C2CC2)s1 ZINC000185365491 822772563 /nfs/dbraw/zinc/77/25/63/822772563.db2.gz MQSPGOZWNATSSG-DOPJRALCSA-N 1 0 380.941 4.284 20 0 GIADRO CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2Br)c2ccc(F)cc2C1 ZINC000185366137 822772821 /nfs/dbraw/zinc/77/28/21/822772821.db2.gz NPUCYAXFXJKPNZ-LJQANCHMSA-N 1 0 391.284 4.171 20 0 GIADRO COc1ccc([C@H]2CCCN2C(=O)C[N@H+](C)[C@@H](C)c2ccccc2)c(OC)c1 ZINC000051709660 822775646 /nfs/dbraw/zinc/77/56/46/822775646.db2.gz ZZLZMTCLNCWTGV-LAUBAEHRSA-N 1 0 382.504 4.060 20 0 GIADRO C[C@@H](NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccc(-c2ccncc2)cc1 ZINC000174344045 822775613 /nfs/dbraw/zinc/77/56/13/822775613.db2.gz KCEMGVLZXKSYDP-AUSIDOKSSA-N 1 0 392.547 4.470 20 0 GIADRO C[C@@H](NC(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1ccc(-c2ccncc2)cc1 ZINC000174345764 822775841 /nfs/dbraw/zinc/77/58/41/822775841.db2.gz XWBUUNXKWUKTDC-LJQANCHMSA-N 1 0 392.547 4.470 20 0 GIADRO CCOCCOc1c(Cl)cccc1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000174357860 822777308 /nfs/dbraw/zinc/77/73/08/822777308.db2.gz CVEQUYHDIVTEMP-UHFFFAOYSA-N 1 0 376.884 4.069 20 0 GIADRO Cc1cc(C[NH2+][C@H]2CCc3c2cccc3Br)ccc1-n1cncn1 ZINC000174358367 822777354 /nfs/dbraw/zinc/77/73/54/822777354.db2.gz NWLOXOIVZJMQCM-SFHVURJKSA-N 1 0 383.293 4.115 20 0 GIADRO C[C@@H](CCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(C(F)(F)F)c1 ZINC000174363942 822778336 /nfs/dbraw/zinc/77/83/36/822778336.db2.gz OJWJASPWAUDSMR-QGTPRVQTSA-N 1 0 383.458 4.077 20 0 GIADRO COCc1ccc(CNC(=O)C[NH2+][C@H](Cc2ccccc2)c2ccccc2)cc1 ZINC000051797413 822778579 /nfs/dbraw/zinc/77/85/79/822778579.db2.gz MERAULSXFNWLDR-XMMPIXPASA-N 1 0 388.511 4.023 20 0 GIADRO C[NH+](C)CCn1ccc2ccc(NC(=O)Cc3c[nH]c4ccc(F)cc34)cc21 ZINC000174370957 822779497 /nfs/dbraw/zinc/77/94/97/822779497.db2.gz BRDJRFYWSQFOJT-UHFFFAOYSA-N 1 0 378.451 4.005 20 0 GIADRO CSc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(-n3cccn3)cc2)cc1 ZINC000174374091 822780085 /nfs/dbraw/zinc/78/00/85/822780085.db2.gz ILCLCGTWKZRDCZ-CVEARBPZSA-N 1 0 380.517 4.272 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-n2cccn2)cc1 ZINC000174376926 822780747 /nfs/dbraw/zinc/78/07/47/822780747.db2.gz ZPIQBGNQLTYRMI-CABCVRRESA-N 1 0 398.894 4.212 20 0 GIADRO CC[N@@H+](Cc1nc2ccccc2nc1C)CC1CCN(c2ccccn2)CC1 ZINC000174394343 822783399 /nfs/dbraw/zinc/78/33/99/822783399.db2.gz JOFZKGTYXGVFBW-UHFFFAOYSA-N 1 0 375.520 4.072 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000456174941 822786315 /nfs/dbraw/zinc/78/63/15/822786315.db2.gz UBCPWIIDQSBHTA-UHFFFAOYSA-N 1 0 383.323 4.029 20 0 GIADRO C[C@@H](NC(=O)CN1CCC([NH+]2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000052002159 822786354 /nfs/dbraw/zinc/78/63/54/822786354.db2.gz LBEIUGXVEDGXBL-OAHLLOKOSA-N 1 0 398.378 4.121 20 0 GIADRO Cc1cc([C@H]2CCC[N@@H+]2CCC(=O)Nc2ccc(Br)cc2F)on1 ZINC000052010517 822786856 /nfs/dbraw/zinc/78/68/56/822786856.db2.gz LJRXRQLGGISFOS-OAHLLOKOSA-N 1 0 396.260 4.050 20 0 GIADRO CC(C)Oc1ccc([C@@H](O)C[NH2+][C@@H](C)c2cc(Br)ccc2O)cc1 ZINC000185470006 822787843 /nfs/dbraw/zinc/78/78/43/822787843.db2.gz DPMURYLMQISPBR-DJJJIMSYSA-N 1 0 394.309 4.326 20 0 GIADRO CN1CCC(CNC(=O)Nc2ccccc2C(C)(C)C)([NH+]2CCCCC2)CC1 ZINC000174422285 822787848 /nfs/dbraw/zinc/78/78/48/822787848.db2.gz MXFRIVDUOJDCRW-UHFFFAOYSA-N 1 0 386.584 4.056 20 0 GIADRO CC(C)Oc1ccc([C@H](O)C[NH2+][C@H](C)c2ccc(Br)cc2O)cc1 ZINC000185470763 822787999 /nfs/dbraw/zinc/78/79/99/822787999.db2.gz XNGGXSJORYIIAY-BFUOFWGJSA-N 1 0 394.309 4.326 20 0 GIADRO Cc1nn(Cc2ccccc2Cl)c(Cl)c1C[NH2+]C[C@@H]1CCC[C@@H](O)C1 ZINC000174428908 822788771 /nfs/dbraw/zinc/78/87/71/822788771.db2.gz BRBVEVNTOXAAQD-GDBMZVCRSA-N 1 0 382.335 4.187 20 0 GIADRO O=C(CC[NH+]1CCC(O)(c2ccccc2)CC1)Nc1ccccc1C(F)(F)F ZINC000185483929 822789410 /nfs/dbraw/zinc/78/94/10/822789410.db2.gz XLFMJSHDMAGNJJ-UHFFFAOYSA-N 1 0 392.421 4.018 20 0 GIADRO CC[C@@H]1CCC[C@@H]([NH2+]Cc2cccnc2Oc2cccc(S(C)(=O)=O)c2)C1 ZINC000174445793 822790809 /nfs/dbraw/zinc/79/08/09/822790809.db2.gz IBILVFMLFTZMMT-SJLPKXTDSA-N 1 0 388.533 4.336 20 0 GIADRO Cc1cnc([C@H](NC(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)C2CC2)s1 ZINC000174452752 822791761 /nfs/dbraw/zinc/79/17/61/822791761.db2.gz YNEMZCCLAITGOF-VQTJNVASSA-N 1 0 398.576 4.347 20 0 GIADRO Oc1cc(F)cc(C[NH2+]CC2(c3ccc(Br)cc3)CCOCC2)c1 ZINC000185507601 822791884 /nfs/dbraw/zinc/79/18/84/822791884.db2.gz LHHUWZCXURZLER-UHFFFAOYSA-N 1 0 394.284 4.132 20 0 GIADRO C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)cc1 ZINC000456267360 822792007 /nfs/dbraw/zinc/79/20/07/822792007.db2.gz IVIKHIUUYATREG-PUCZYUMASA-N 1 0 377.488 4.082 20 0 GIADRO O[C@H](C[C@H]1COCC[N@@H+]1CC1CCC(C(F)(F)F)CC1)c1cccs1 ZINC000185521307 822793168 /nfs/dbraw/zinc/79/31/68/822793168.db2.gz OWZFUZDFLVCLFU-SSHXOBKSSA-N 1 0 377.472 4.241 20 0 GIADRO CC(C)CC(=O)N[C@@H](C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)c1ccccc1 ZINC000456278181 822793221 /nfs/dbraw/zinc/79/32/21/822793221.db2.gz OYKUMJIGSRLNOE-JTHBVZDNSA-N 1 0 393.531 4.078 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)Cc3ccc(Br)s3)ccc21 ZINC000456281362 822793669 /nfs/dbraw/zinc/79/36/69/822793669.db2.gz RAWLEFSHAPBIBW-OAHLLOKOSA-N 1 0 379.323 4.241 20 0 GIADRO C[NH+]1CCN(Cc2cccc(C(=O)Nc3ccccc3-c3ccccc3)c2)CC1 ZINC000174465724 822793971 /nfs/dbraw/zinc/79/39/71/822793971.db2.gz OBHMCVFLOMGFDW-UHFFFAOYSA-N 1 0 385.511 4.353 20 0 GIADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]CC(C)(C)C[C@H](C)O ZINC000174465177 822793993 /nfs/dbraw/zinc/79/39/93/822793993.db2.gz YWOCKAAVVMOAIJ-ZDUSSCGKSA-N 1 0 394.357 4.138 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)NCC(C)(C)c2ccc(Cl)c(Cl)c2)CC[N@@H+]1C ZINC000174468924 822794341 /nfs/dbraw/zinc/79/43/41/822794341.db2.gz HVZUKIFMUJDOEV-HIFRSBDPSA-N 1 0 386.367 4.395 20 0 GIADRO CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)cc1 ZINC000456285639 822794378 /nfs/dbraw/zinc/79/43/78/822794378.db2.gz UZBFRVBKFVUBSW-LHSJRXKWSA-N 1 0 397.544 4.313 20 0 GIADRO COc1ccccc1C[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000174470141 822794571 /nfs/dbraw/zinc/79/45/71/822794571.db2.gz ZEZFOHGCKRYDPT-UHFFFAOYSA-N 1 0 376.294 4.253 20 0 GIADRO COc1ccc(C[C@H](C)C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)cc1OC ZINC000456289162 822794594 /nfs/dbraw/zinc/79/45/94/822794594.db2.gz XLHZUFXMPQLVIR-YWZLYKJASA-N 1 0 382.504 4.070 20 0 GIADRO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)[C@@H](C)CC(C)C)ccc1Cl ZINC000185538742 822794659 /nfs/dbraw/zinc/79/46/59/822794659.db2.gz NIXUOENDSPJVHQ-HNNXBMFYSA-N 1 0 381.948 4.032 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(-c3ccc(OC)cc3F)cc2F)C1 ZINC000174480598 822795278 /nfs/dbraw/zinc/79/52/78/822795278.db2.gz CRAYHIQVVKXDNX-HNNXBMFYSA-N 1 0 388.458 4.054 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)Cc3sccc3Br)ccc21 ZINC000456299732 822795785 /nfs/dbraw/zinc/79/57/85/822795785.db2.gz FEYXKDIBUCIVOF-HNNXBMFYSA-N 1 0 379.323 4.241 20 0 GIADRO COc1ccc(-c2nc(C[NH2+][C@@H](C)[C@@H]3COc4ccccc43)cs2)cc1OC ZINC000185575034 822798133 /nfs/dbraw/zinc/79/81/33/822798133.db2.gz VJSQQYOSJZRYNC-KSSFIOAISA-N 1 0 396.512 4.482 20 0 GIADRO CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000185581367 822798863 /nfs/dbraw/zinc/79/88/63/822798863.db2.gz OZORBGOLZKEUSL-FQEVSTJZSA-N 1 0 382.504 4.214 20 0 GIADRO C[C@@H]1CN(C(=O)c2ccc([C@@H]3CCCOC3)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000456328948 822798998 /nfs/dbraw/zinc/79/89/98/822798998.db2.gz IHXXYTXCBUOMQY-GBXCKJPGSA-N 1 0 392.543 4.175 20 0 GIADRO CC(C)OC(=O)C[C@H]1CCC[N@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000185584494 822799379 /nfs/dbraw/zinc/79/93/79/822799379.db2.gz OCKKEZUADAYQEF-LJQANCHMSA-N 1 0 382.504 4.214 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc3c(c2)nc(C(F)(F)F)n3C(C)C)C1 ZINC000174514478 822799651 /nfs/dbraw/zinc/79/96/51/822799651.db2.gz DMHPBVXQXVKMDZ-CQSZACIVSA-N 1 0 396.457 4.050 20 0 GIADRO Cn1cc(N2CCC[C@@H]([NH2+]Cc3ccc(-c4nc5ccccc5s4)o3)C2)cn1 ZINC000174518064 822799899 /nfs/dbraw/zinc/79/98/99/822799899.db2.gz KDKHVFUXGPENLX-OAHLLOKOSA-N 1 0 393.516 4.048 20 0 GIADRO Cc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000456339270 822799983 /nfs/dbraw/zinc/79/99/83/822799983.db2.gz XKRGKINDVHIQLR-FQEVSTJZSA-N 1 0 378.451 4.121 20 0 GIADRO C[C@H]1CN(C(=O)CCc2ccc3[nH]ccc3c2)CC[N@H+](Cc2ccccc2)C1 ZINC000456339504 822800171 /nfs/dbraw/zinc/80/01/71/822800171.db2.gz OXZHNNJMINDYBR-LJQANCHMSA-N 1 0 375.516 4.081 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(-c3ccc(OC(F)F)cc3)s2)C1 ZINC000174522813 822800510 /nfs/dbraw/zinc/80/05/10/822800510.db2.gz BYKAYVCNKFAGCD-AWEZNQCLSA-N 1 0 394.487 4.430 20 0 GIADRO CCC[C@H](CCO)CNC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000174526200 822801017 /nfs/dbraw/zinc/80/10/17/822801017.db2.gz SPMCWRNYQORYNS-GOSISDBHSA-N 1 0 375.557 4.371 20 0 GIADRO CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2C(F)(F)F)c2ccc(F)cc2C1 ZINC000185603615 822801161 /nfs/dbraw/zinc/80/11/61/822801161.db2.gz XGHKZQMXFLHIGA-IBGZPJMESA-N 1 0 380.385 4.428 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)[C@@H]1COc2ccccc21 ZINC000185610847 822801940 /nfs/dbraw/zinc/80/19/40/822801940.db2.gz XNTFHIJDIVRKPJ-RISCZKNCSA-N 1 0 396.821 4.034 20 0 GIADRO CC(=O)Nc1ccccc1C[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000174533583 822802178 /nfs/dbraw/zinc/80/21/78/822802178.db2.gz OJHHGUBQDSGPNG-UHFFFAOYSA-N 1 0 399.235 4.299 20 0 GIADRO CC(=O)Nc1ccccc1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000174533544 822802213 /nfs/dbraw/zinc/80/22/13/822802213.db2.gz SDUKKEZNLHCXTD-UHFFFAOYSA-N 1 0 397.482 4.183 20 0 GIADRO CN(C[C@@H]1CCCCO1)C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000052522524 822802527 /nfs/dbraw/zinc/80/25/27/822802527.db2.gz NTODFYGRULDCPB-QFIPXVFZSA-N 1 0 395.547 4.126 20 0 GIADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N(C)[C@H](C)c1ccccc1 ZINC000174537354 822802662 /nfs/dbraw/zinc/80/26/62/822802662.db2.gz PHAVIHXMTSQULW-GOSISDBHSA-N 1 0 396.535 4.062 20 0 GIADRO COC(=O)c1cccc(-c2nc(C[NH2+][C@@H](C)[C@@H]3COc4ccccc43)cs2)c1 ZINC000185617204 822802787 /nfs/dbraw/zinc/80/27/87/822802787.db2.gz KKEAJGUIQSTPFE-LIRRHRJNSA-N 1 0 394.496 4.251 20 0 GIADRO N#CCSc1ccccc1C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000052528035 822802778 /nfs/dbraw/zinc/80/27/78/822802778.db2.gz OQPJPDFBKRQYDF-UHFFFAOYSA-N 1 0 379.529 4.218 20 0 GIADRO CNC(=O)c1ccc(C[N@H+](Cc2ccc(Cl)c3cccnc23)C2CC2)cc1 ZINC000052530217 822802797 /nfs/dbraw/zinc/80/27/97/822802797.db2.gz NVULMQPIGCMEJN-UHFFFAOYSA-N 1 0 379.891 4.412 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccc2ncsc2c1 ZINC000052554512 822803433 /nfs/dbraw/zinc/80/34/33/822803433.db2.gz IIQLJFURGVGJJL-UHFFFAOYSA-N 1 0 385.920 4.344 20 0 GIADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N[C@@H](CC(F)(F)F)c1ccccc1 ZINC000052557837 822803461 /nfs/dbraw/zinc/80/34/61/822803461.db2.gz BEHLTBXYPHBXRC-MOPGFXCFSA-N 1 0 393.453 4.152 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1cnc(Cc2ccccc2F)s1 ZINC000185625976 822803900 /nfs/dbraw/zinc/80/39/00/822803900.db2.gz YCBVFDRBVDNILG-UHFFFAOYSA-N 1 0 383.492 4.495 20 0 GIADRO CC1CC[NH+]([C@H](CNC(=O)N(C)Cc2ccccc2O)c2ccccc2)CC1 ZINC000052583666 822804232 /nfs/dbraw/zinc/80/42/32/822804232.db2.gz KUPWAZCRCDBNOD-OAQYLSRUSA-N 1 0 381.520 4.007 20 0 GIADRO CC(C)n1cnnc1[C@H]1CCCN(Cc2cc(Br)ccc2F)C1 ZINC000174553938 822804413 /nfs/dbraw/zinc/80/44/13/822804413.db2.gz GDSHKDAPPWVQOJ-ZDUSSCGKSA-N 1 0 381.293 4.140 20 0 GIADRO O=C(C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1)NC1(c2ccccc2)CCC1 ZINC000052612104 822805159 /nfs/dbraw/zinc/80/51/59/822805159.db2.gz OCMRSFOJHPBOAV-SFHVURJKSA-N 1 0 389.499 4.203 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]CC(=O)Nc1ccc(Cl)cc1 ZINC000185638571 822805403 /nfs/dbraw/zinc/80/54/03/822805403.db2.gz AOWPEZWZTLJHRA-SNVBAGLBSA-N 1 0 388.821 4.005 20 0 GIADRO COc1ccc(C[NH2+]CC2(SC)CCOCC2)cc1OCc1ccccc1 ZINC000174563225 822805435 /nfs/dbraw/zinc/80/54/35/822805435.db2.gz XYJVUFWUPPMLKH-UHFFFAOYSA-N 1 0 387.545 4.276 20 0 GIADRO COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@H](C)c1ccc(C)cc1O ZINC000185640374 822805642 /nfs/dbraw/zinc/80/56/42/822805642.db2.gz DCYANCMSGIRBOE-CQSZACIVSA-N 1 0 376.884 4.350 20 0 GIADRO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174566106 822805722 /nfs/dbraw/zinc/80/57/22/822805722.db2.gz VPBHQYGVCNKBNA-LSDHHAIUSA-N 1 0 385.335 4.095 20 0 GIADRO O=C(c1ccc(C2SCCS2)cc1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174565639 822805748 /nfs/dbraw/zinc/80/57/48/822805748.db2.gz VANPDHQHJROVQT-MRXNPFEDSA-N 1 0 376.591 4.113 20 0 GIADRO N#Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@@H]2c2cc(F)cc(Br)c2)cc1 ZINC000185640562 822805765 /nfs/dbraw/zinc/80/57/65/822805765.db2.gz MGEOFKJBRRDYMA-MOPGFXCFSA-N 1 0 389.268 4.330 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@H](C)C(=O)Nc1c(C)cccc1C ZINC000185646563 822806402 /nfs/dbraw/zinc/80/64/02/822806402.db2.gz QFEPOGYOEAXEPQ-DZGCQCFKSA-N 1 0 396.457 4.357 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(OC)cc2)cc1OCC ZINC000052659812 822806581 /nfs/dbraw/zinc/80/65/81/822806581.db2.gz QGXTWYOBSZHBFV-JKSUJKDBSA-N 1 0 386.492 4.170 20 0 GIADRO COc1ccc([C@H](CNC(=O)N(C)[C@H](C)c2ccccc2)[NH+]2CCCC2)cc1 ZINC000052684904 822807257 /nfs/dbraw/zinc/80/72/57/822807257.db2.gz YFAAXANUAUUQPT-GCJKJVERSA-N 1 0 381.520 4.235 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccccc1N1CCCC1 ZINC000174587630 822808747 /nfs/dbraw/zinc/80/87/47/822808747.db2.gz HNNKHMOWFMQWHS-NRFANRHFSA-N 1 0 392.547 4.273 20 0 GIADRO COc1ccc(C(=O)Nc2cccc(CNC3C[C@H]4CCC[C@@H](C3)[N@H+]4C)c2)cc1 ZINC000174599239 822810334 /nfs/dbraw/zinc/81/03/34/822810334.db2.gz RSLNMBWPLWHPAF-FRIKZZABSA-N 1 0 393.531 4.052 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)c2c(C)nc(C3CC3)nc2SC)cc1 ZINC000174605391 822811291 /nfs/dbraw/zinc/81/12/91/822811291.db2.gz OEXGWPUARCTLST-UHFFFAOYSA-N 1 0 398.576 4.156 20 0 GIADRO OC1(c2cccnc2)CCC([NH2+]Cc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000185701499 822811681 /nfs/dbraw/zinc/81/16/81/822811681.db2.gz LLZHCXIFCBYJJM-UHFFFAOYSA-N 1 0 382.838 4.256 20 0 GIADRO O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@@H+](Cc2ccc(F)c3cccnc23)C1 ZINC000052829890 822812388 /nfs/dbraw/zinc/81/23/88/822812388.db2.gz GZTPIWTUOWCKFD-OAHLLOKOSA-N 1 0 398.869 4.273 20 0 GIADRO C[C@H](CC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)Cc1cccc(F)c1 ZINC000174612709 822812478 /nfs/dbraw/zinc/81/24/78/822812478.db2.gz ADRHVBZZQOGGQX-UGKGYDQZSA-N 1 0 382.523 4.075 20 0 GIADRO C[C@H](NCC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185711734 822813013 /nfs/dbraw/zinc/81/30/13/822813013.db2.gz FNBLVYYLOIQXLA-JENIJYKNSA-N 1 0 391.987 4.102 20 0 GIADRO COc1ccc(C[N@H+](Cc2csc(-c3cnn(C)c3)n2)[C@H](C)C2CC2)cc1 ZINC000052867123 822813544 /nfs/dbraw/zinc/81/35/44/822813544.db2.gz YQRGPTOBWTXSBN-OAHLLOKOSA-N 1 0 382.533 4.353 20 0 GIADRO CC[N@H+](Cc1cccc(Cl)c1)Cc1cc(=O)oc2cc(NC(C)=O)ccc12 ZINC000052906513 822814869 /nfs/dbraw/zinc/81/48/69/822814869.db2.gz ZBSSYFYTBRFJOS-UHFFFAOYSA-N 1 0 384.863 4.427 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)NCC(C)(C)c2cccc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000174631532 822814933 /nfs/dbraw/zinc/81/49/33/822814933.db2.gz KKBHZDXERSEKFB-PBHICJAKSA-N 1 0 385.474 4.107 20 0 GIADRO CS(=O)(=O)c1cccc([C@@H]([NH2+]C/C=C/c2ccccc2)c2ccccc2)c1 ZINC000174632613 822815089 /nfs/dbraw/zinc/81/50/89/822815089.db2.gz VYMVBJHOLWCMSO-SRLUVNLFSA-N 1 0 377.509 4.483 20 0 GIADRO Fc1cccc(C2([NH2+]Cc3ccc(OC[C@H]4CCCO4)cc3)CCOCC2)c1 ZINC000174644998 822816964 /nfs/dbraw/zinc/81/69/64/822816964.db2.gz PDWPAEIZTNVQOE-JOCHJYFZSA-N 1 0 385.479 4.179 20 0 GIADRO Cc1cc(-c2noc([C@H](C)N[C@@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)n2)ccc1F ZINC000185749177 822817485 /nfs/dbraw/zinc/81/74/85/822817485.db2.gz FGPTYEWSPWWGIW-XYJFISCASA-N 1 0 386.515 4.488 20 0 GIADRO COc1ccc([C@H]([NH2+][C@@H]2CCC[C@@H](C)C2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000174649806 822817718 /nfs/dbraw/zinc/81/77/18/822817718.db2.gz XIWOUTPVOGWAMA-PERKRYKHSA-N 1 0 387.545 4.356 20 0 GIADRO CC(C)CCNC(=O)[C@@H](C)[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000052993741 822818037 /nfs/dbraw/zinc/81/80/37/822818037.db2.gz RBIBWGALZYLYQR-CQSZACIVSA-N 1 0 377.916 4.211 20 0 GIADRO COc1ccc(F)cc1C[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000053019350 822818936 /nfs/dbraw/zinc/81/89/36/822818936.db2.gz GBBLQCAZUAELEL-UHFFFAOYSA-N 1 0 392.858 4.044 20 0 GIADRO CN(Cc1ncc(-c2ccccc2F)o1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000174656080 822818958 /nfs/dbraw/zinc/81/89/58/822818958.db2.gz GAZUAWPZEDWIQX-UHFFFAOYSA-N 1 0 394.494 4.015 20 0 GIADRO CC(C)[NH+]1CCC(C(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)CC1 ZINC000174676589 822822011 /nfs/dbraw/zinc/82/20/11/822822011.db2.gz KSGWQLVOVKJIHP-UHFFFAOYSA-N 1 0 389.927 4.308 20 0 GIADRO Cc1ccccc1COc1cccc(CC(=O)NC2CC[NH+](C3CCC3)CC2)c1 ZINC000456682014 822822141 /nfs/dbraw/zinc/82/21/41/822822141.db2.gz JMUPWAIPNXKBOY-UHFFFAOYSA-N 1 0 392.543 4.250 20 0 GIADRO CC(C)(C)CC(C)(C)[NH2+]CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F ZINC000053123781 822822775 /nfs/dbraw/zinc/82/27/75/822822775.db2.gz YRWVVASXNFDQNZ-HNNXBMFYSA-N 1 0 399.457 4.097 20 0 GIADRO CC(C)(C)CC(C)(C)[NH2+]CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC000053123780 822822778 /nfs/dbraw/zinc/82/27/78/822822778.db2.gz YRWVVASXNFDQNZ-OAHLLOKOSA-N 1 0 399.457 4.097 20 0 GIADRO CCO[C@H](C)c1ncc(C(=O)N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)s1 ZINC000456690510 822823090 /nfs/dbraw/zinc/82/30/90/822823090.db2.gz JGOZEDKKFZVVDZ-OAHLLOKOSA-N 1 0 381.586 4.213 20 0 GIADRO Cc1coc2ccc(NC(=O)c3ccc(C[NH+]4CCC(CO)CC4)cc3)cc12 ZINC000185808144 822823107 /nfs/dbraw/zinc/82/31/07/822823107.db2.gz NWGOXAGQHHNCDB-UHFFFAOYSA-N 1 0 378.472 4.198 20 0 GIADRO C[N@H+](CCCc1nc(-c2cccs2)no1)Cc1cnn(-c2ccccc2)c1 ZINC000053139376 822823256 /nfs/dbraw/zinc/82/32/56/822823256.db2.gz PBNAJYUGCXDJTH-UHFFFAOYSA-N 1 0 379.489 4.048 20 0 GIADRO Cc1nn(C(C)(C)C)c(C)c1C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000053144532 822823337 /nfs/dbraw/zinc/82/33/37/822823337.db2.gz PCFGLRSZLLZOFU-KRWDZBQOSA-N 1 0 396.579 4.417 20 0 GIADRO Cc1nn(C(C)(C)C)c(C)c1C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000053144535 822823442 /nfs/dbraw/zinc/82/34/42/822823442.db2.gz PCFGLRSZLLZOFU-QGZVFWFLSA-N 1 0 396.579 4.417 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)N[C@@H](c1nc(C)cs1)C1CC1)c1ccccc1 ZINC000174691282 822823910 /nfs/dbraw/zinc/82/39/10/822823910.db2.gz OKSWTOTXWNLQQG-RBUKOAKNSA-N 1 0 386.565 4.285 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(Cl)cc1Cl ZINC000185821284 822824383 /nfs/dbraw/zinc/82/43/83/822824383.db2.gz LGZSEHHNTGMACF-CYBMUJFWSA-N 1 0 399.343 4.384 20 0 GIADRO COc1cc(NC(=O)CC[N@H+](C)[C@@H]2CCc3ccccc32)c(OC)cc1Cl ZINC000174712504 822827233 /nfs/dbraw/zinc/82/72/33/822827233.db2.gz GTVWQZWVYGFDPW-GOSISDBHSA-N 1 0 388.895 4.305 20 0 GIADRO CC(C)[N@H+](Cc1ccc(Cl)c(Cl)c1)Cc1cc(=O)n2ccsc2n1 ZINC000053265483 822828280 /nfs/dbraw/zinc/82/82/80/822828280.db2.gz SVLMGKWOIBPJLE-UHFFFAOYSA-N 1 0 382.316 4.473 20 0 GIADRO C[C@H]([NH2+]CCC(=O)Nc1cccc(Cl)c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000174721766 822828379 /nfs/dbraw/zinc/82/83/79/822828379.db2.gz SUNYUTXWUCOGLR-AWEZNQCLSA-N 1 0 385.895 4.368 20 0 GIADRO CC(C)(C)OC(=O)Nc1cccc(C(=O)NCCC[NH+]2CCCCCC2)c1 ZINC000053271538 822828733 /nfs/dbraw/zinc/82/87/33/822828733.db2.gz WQZGTNOHWVJBIE-UHFFFAOYSA-N 1 0 375.513 4.030 20 0 GIADRO Cc1ccccc1[C@@H]1CCC[N@@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000053279658 822828860 /nfs/dbraw/zinc/82/88/60/822828860.db2.gz ZQXOYMPTTYBFFR-CTNGQTDRSA-N 1 0 382.467 4.369 20 0 GIADRO CC(=O)Nc1ccc2c(C[N@@H+]3CCC[C@H]3c3ccccc3C)cc(=O)oc2c1 ZINC000053279261 822828900 /nfs/dbraw/zinc/82/89/00/822828900.db2.gz KTAHWNZSRMAMBD-NRFANRHFSA-N 1 0 376.456 4.397 20 0 GIADRO CC(C)[NH+]1CCC(C(=O)Nc2cccc(C[S@](=O)Cc3ccccc3)c2)CC1 ZINC000174728517 822829312 /nfs/dbraw/zinc/82/93/12/822829312.db2.gz MUNNGISRLVOUOD-MUUNZHRXSA-N 1 0 398.572 4.194 20 0 GIADRO Cc1oc(-c2cccs2)nc1CC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000053304011 822829604 /nfs/dbraw/zinc/82/96/04/822829604.db2.gz SNTGWNCETKMHOL-GASCZTMLSA-N 1 0 389.565 4.127 20 0 GIADRO Cc1oc(-c2ccccc2)nc1CC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000053304048 822829645 /nfs/dbraw/zinc/82/96/45/822829645.db2.gz ZQHPTPPGJJVFES-CALCHBBNSA-N 1 0 383.536 4.065 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)CCc2ncc(-c3ccccc3)o2)C1 ZINC000053302215 822829660 /nfs/dbraw/zinc/82/96/60/822829660.db2.gz PDNIJPANQLAVSJ-HDICACEKSA-N 1 0 383.536 4.147 20 0 GIADRO O=C(CSc1ccc(Cl)cc1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000053318588 822830364 /nfs/dbraw/zinc/83/03/64/822830364.db2.gz JAAKLZPUFVKMQU-UHFFFAOYSA-N 1 0 392.927 4.352 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)NC2(Cc3ccccc3)CCOCC2)cc1)C(C)C ZINC000456786911 822830818 /nfs/dbraw/zinc/83/08/18/822830818.db2.gz FLRMQGZOIOGGLV-UHFFFAOYSA-N 1 0 394.559 4.439 20 0 GIADRO CC(=O)c1cc(C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)cs1 ZINC000456789689 822831150 /nfs/dbraw/zinc/83/11/50/822831150.db2.gz JUPWFPPKCHVCJV-UHFFFAOYSA-N 1 0 392.908 4.329 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)Cc2cc(F)ccc2F)CC1 ZINC000456795167 822831866 /nfs/dbraw/zinc/83/18/66/822831866.db2.gz SOBFBOOSDDKGEJ-UHFFFAOYSA-N 1 0 394.849 4.272 20 0 GIADRO C[NH+](C)CC1(CNC(=O)CCc2ncc(-c3ccccc3Cl)o2)CCCC1 ZINC000185907210 822832181 /nfs/dbraw/zinc/83/21/81/822832181.db2.gz IVHZMNIUCNNLPV-UHFFFAOYSA-N 1 0 389.927 4.166 20 0 GIADRO COc1ccccc1Oc1ccc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000174749866 822832193 /nfs/dbraw/zinc/83/21/93/822832193.db2.gz GSRMEKXPQKWHKX-AEFFLSMTSA-N 1 0 383.492 4.434 20 0 GIADRO COc1ccc2[nH]cc(C3CCN(C(=O)C4CC[NH+](C(C)C)CC4)CC3)c2c1 ZINC000174751941 822832390 /nfs/dbraw/zinc/83/23/90/822832390.db2.gz HMXQBJXQJGHJAW-UHFFFAOYSA-N 1 0 383.536 4.003 20 0 GIADRO CSc1nc(C2CC2)nc(C)c1C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000174752168 822832441 /nfs/dbraw/zinc/83/24/41/822832441.db2.gz PYYSXPQPWGAOLO-UHFFFAOYSA-N 1 0 396.560 4.275 20 0 GIADRO COc1cccc(C[N@H+](CCC(=O)Nc2ccccc2C)C[C@@H]2CCCO2)c1 ZINC000174753171 822832521 /nfs/dbraw/zinc/83/25/21/822832521.db2.gz LHRHHBHGYCPNII-NRFANRHFSA-N 1 0 382.504 4.013 20 0 GIADRO CC(C)[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)Nc1ccc(NC(=O)c3ccco3)cc1)C2 ZINC000174768692 822834673 /nfs/dbraw/zinc/83/46/73/822834673.db2.gz HNSVQGKJYCLTOT-RBUKOAKNSA-N 1 0 396.491 4.011 20 0 GIADRO CC(C)CC(=O)Nc1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc1 ZINC000174769757 822834879 /nfs/dbraw/zinc/83/48/79/822834879.db2.gz PUBNJFYMBAKNMT-UXHICEINSA-N 1 0 386.540 4.150 20 0 GIADRO C[NH+]1CCC(C(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)CC1 ZINC000174771157 822834973 /nfs/dbraw/zinc/83/49/73/822834973.db2.gz SJIKVVCOFACGFX-UHFFFAOYSA-N 1 0 392.330 4.259 20 0 GIADRO Cc1nn(-c2ccccc2)cc1NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000185932799 822835014 /nfs/dbraw/zinc/83/50/14/822835014.db2.gz JGWXDAVWMAEMPE-UHFFFAOYSA-N 1 0 388.515 4.422 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)[C@H](C)C1 ZINC000174773700 822835395 /nfs/dbraw/zinc/83/53/95/822835395.db2.gz JSLBRMYGFFBKTI-ABAIWWIYSA-N 1 0 392.758 4.247 20 0 GIADRO CCC(=O)Nc1ccc(Cl)c(NC(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C(C)C)c1 ZINC000174782593 822836411 /nfs/dbraw/zinc/83/64/11/822836411.db2.gz NTLXAXUGMZJCCI-JKSUJKDBSA-N 1 0 392.931 4.168 20 0 GIADRO C[C@H](NC(=[NH2+])NCc1cc(COC(C)(C)C)on1)c1ccc(Cl)cc1Cl ZINC000185953475 822836660 /nfs/dbraw/zinc/83/66/60/822836660.db2.gz IGLVQDTYAGXUSJ-NSHDSACASA-N 1 0 399.322 4.462 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000174797260 822838338 /nfs/dbraw/zinc/83/83/38/822838338.db2.gz JZAYLSPPQAMLHO-MJGOQNOKSA-N 1 0 396.560 4.144 20 0 GIADRO CN(Cc1ccc(Cl)cc1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000053523567 822838609 /nfs/dbraw/zinc/83/86/09/822838609.db2.gz ZEFRSEPXWDNDAB-SFHVURJKSA-N 1 0 375.900 4.302 20 0 GIADRO O=C(c1cccc(C[NH+]2CCCC2)c1)N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000185969970 822839400 /nfs/dbraw/zinc/83/94/00/822839400.db2.gz QGJGJMXWTSJNPW-OAQYLSRUSA-N 1 0 384.907 4.150 20 0 GIADRO CC(C)c1csc([C@H]2CCCN(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)C2)n1 ZINC000174804692 822839588 /nfs/dbraw/zinc/83/95/88/822839588.db2.gz GFVJRNDAAGPZQB-HNNXBMFYSA-N 1 0 392.613 4.465 20 0 GIADRO CCOc1ccc(CN(C)C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000053540851 822839834 /nfs/dbraw/zinc/83/98/34/822839834.db2.gz IKQFGIOSLWHQHF-JOCHJYFZSA-N 1 0 381.520 4.064 20 0 GIADRO CC(C)c1ccc(-c2ncc(C[NH+]3CCC(NC(=O)C4CC4)CC3)s2)cc1 ZINC000174820306 822841750 /nfs/dbraw/zinc/84/17/50/822841750.db2.gz MJSKRBYMBROREU-UHFFFAOYSA-N 1 0 383.561 4.424 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)NCC2(Sc3ccccc3)CCCC2)CC[N@@H+]1C ZINC000174822521 822842006 /nfs/dbraw/zinc/84/20/06/822842006.db2.gz BBNUWFSYFBLBHX-ROUUACIJSA-N 1 0 375.582 4.216 20 0 GIADRO COc1cc(C[N@H+](C)C2CCN(C(=O)OC(C)(C)C)CC2)ccc1SC ZINC000174826383 822842512 /nfs/dbraw/zinc/84/25/12/822842512.db2.gz QJTGJCSLUGMVSB-UHFFFAOYSA-N 1 0 380.554 4.248 20 0 GIADRO COc1ccc(O)c([C@@H](C)[NH2+]CC2(c3ccccc3Cl)CCOCC2)c1 ZINC000186000301 822842627 /nfs/dbraw/zinc/84/26/27/822842627.db2.gz IDOXDLHBZNLBJN-OAHLLOKOSA-N 1 0 375.896 4.453 20 0 GIADRO COc1ccc(NC(=O)[C@@H]([NH2+]CCC[C@H]2CCCCO2)c2ccccc2)cc1 ZINC000186001840 822842772 /nfs/dbraw/zinc/84/27/72/822842772.db2.gz HVCWAJCKEMPYKH-YADHBBJMSA-N 1 0 382.504 4.314 20 0 GIADRO CC(C)(C)[C@H]([NH2+]CC(=O)NCC1(c2ccccc2)CCOCC1)c1ccccc1 ZINC000053617411 822842895 /nfs/dbraw/zinc/84/28/95/822842895.db2.gz WVKXOUSRFDTTHA-HSZRJFAPSA-N 1 0 394.559 4.228 20 0 GIADRO CC1CC[NH+](Cc2ccc(NC(=O)c3ccc4c(c3)CCC(=O)N4)cc2)CC1 ZINC000053618435 822842990 /nfs/dbraw/zinc/84/29/90/822842990.db2.gz FXCDNVHTDSYCHW-UHFFFAOYSA-N 1 0 377.488 4.056 20 0 GIADRO Cc1c(C(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)[nH]c2c1C(=O)CCC2 ZINC000053618328 822843010 /nfs/dbraw/zinc/84/30/10/822843010.db2.gz RGRZXUBLOQPTSF-UHFFFAOYSA-N 1 0 379.504 4.326 20 0 GIADRO NC(=O)c1ccc(-c2nc(C[N@@H+]3CCC[C@@H]3Cc3ccc(F)cc3)cs2)cc1 ZINC000053641607 822843489 /nfs/dbraw/zinc/84/34/89/822843489.db2.gz ORQNUEOMUQFYFC-HXUWFJFHSA-N 1 0 395.503 4.255 20 0 GIADRO Cc1nn(C)c(C)c1C[C@H](C)c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000174835512 822843905 /nfs/dbraw/zinc/84/39/05/822843905.db2.gz GKPUSMLTGYTFRG-INIZCTEOSA-N 1 0 393.535 4.419 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1ncoc1-c1ccc(F)cc1 ZINC000186025347 822844759 /nfs/dbraw/zinc/84/47/59/822844759.db2.gz ZTSDYFQFDVDHQI-QGZVFWFLSA-N 1 0 393.462 4.217 20 0 GIADRO CCc1c(C(=O)Nc2cc(C[NH+](C)C)ccc2C)cnn1-c1ccccc1C ZINC000186029841 822845246 /nfs/dbraw/zinc/84/52/46/822845246.db2.gz MUPQALXFJUOOBI-UHFFFAOYSA-N 1 0 376.504 4.365 20 0 GIADRO COc1ccccc1OCC[N@H+](C)CCC(=O)Nc1c(Cl)cccc1Cl ZINC000053709776 822845310 /nfs/dbraw/zinc/84/53/10/822845310.db2.gz MEWPHSWKPZSYCK-UHFFFAOYSA-N 1 0 397.302 4.341 20 0 GIADRO Cc1ccc(O)c([C@H](C)[NH2+]CCC(=O)Nc2cc(Br)ccc2C)c1 ZINC000186031057 822845444 /nfs/dbraw/zinc/84/54/44/822845444.db2.gz RSBNAJCYHYGGBP-AWEZNQCLSA-N 1 0 391.309 4.451 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)Nc2nnc(-c3cc(C)cc(C)c3)s2)CC1 ZINC000186036398 822845942 /nfs/dbraw/zinc/84/59/42/822845942.db2.gz SIFTYNBOWCZOFQ-UHFFFAOYSA-N 1 0 387.553 4.160 20 0 GIADRO C[C@@H]([NH2+]CCc1nc2c(cccc2F)n1C)c1cc(Br)ccc1O ZINC000186038932 822846174 /nfs/dbraw/zinc/84/61/74/822846174.db2.gz PQDCDKLYBNWPOU-LLVKDONJSA-N 1 0 392.272 4.074 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cc(-c3cccnc3)on2)cc1 ZINC000053721967 822846205 /nfs/dbraw/zinc/84/62/05/822846205.db2.gz ZJFIHMSCNYCUJJ-INIZCTEOSA-N 1 0 376.460 4.363 20 0 GIADRO CCSc1ccccc1[C@H](C)[NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1 ZINC000186044227 822846701 /nfs/dbraw/zinc/84/67/01/822846701.db2.gz SHTMELLDNHWMGI-INIZCTEOSA-N 1 0 390.574 4.189 20 0 GIADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2ccc(-c3cncnc3)cc2F)C1 ZINC000186045801 822846884 /nfs/dbraw/zinc/84/68/84/822846884.db2.gz PCBWPMWPEFFZRS-ROUUACIJSA-N 1 0 396.510 4.009 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)c2cc(C)n(CC(F)(F)F)c2C)cc1 ZINC000053759859 822847206 /nfs/dbraw/zinc/84/72/06/822847206.db2.gz XNLUAPMZJIRDRV-UHFFFAOYSA-N 1 0 395.469 4.439 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)c2ncoc2-c2ccc(F)cc2)[C@@H]1c1cccs1 ZINC000186050444 822847275 /nfs/dbraw/zinc/84/72/75/822847275.db2.gz NSTDYMRPFDCJIA-DNVCBOLYSA-N 1 0 399.491 4.355 20 0 GIADRO COc1ccc(N2CCC[N@@H+]([C@H](C)c3nnc(-c4ccc(C)cc4)o3)CC2)cc1 ZINC000053773560 822847510 /nfs/dbraw/zinc/84/75/10/822847510.db2.gz IYJHHJIBXFJDBX-GOSISDBHSA-N 1 0 392.503 4.327 20 0 GIADRO CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]Cc1ncc(-c2ccccc2)cn1 ZINC000186056987 822847990 /nfs/dbraw/zinc/84/79/90/822847990.db2.gz MLJPYKZLMBUXME-HXUWFJFHSA-N 1 0 377.488 4.272 20 0 GIADRO C[C@@H]([NH2+]CCc1nc2cc(F)ccc2n1C)c1cc(Br)ccc1O ZINC000186060768 822848407 /nfs/dbraw/zinc/84/84/07/822848407.db2.gz JHEKDMXPCNBCRD-LLVKDONJSA-N 1 0 392.272 4.074 20 0 GIADRO Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)Nc2cccc(C[NH+](C)C)c2)cc1 ZINC000174868493 822848884 /nfs/dbraw/zinc/84/88/84/822848884.db2.gz HAMBSBFYIUNFFB-UNMCSNQZSA-N 1 0 381.520 4.346 20 0 GIADRO CN(C(=O)CCc1cncc2ccccc21)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457064566 822849411 /nfs/dbraw/zinc/84/94/11/822849411.db2.gz GKQNLFXISFWBKI-UHFFFAOYSA-N 1 0 393.453 4.043 20 0 GIADRO CSc1c(F)cccc1C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457069619 822849866 /nfs/dbraw/zinc/84/98/66/822849866.db2.gz NMUDAHCYNITTPF-UHFFFAOYSA-N 1 0 378.435 4.036 20 0 GIADRO CN(C(=O)[C@H]1C[C@@H]1c1ccccc1Cl)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457075090 822850401 /nfs/dbraw/zinc/85/04/01/822850401.db2.gz WDNXZIAHRBYISS-CVEARBPZSA-N 1 0 388.861 4.319 20 0 GIADRO C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[NH+]1CCC(OCc2ccccc2)CC1 ZINC000053844705 822850416 /nfs/dbraw/zinc/85/04/16/822850416.db2.gz BJHKRBZECRTONP-SFHVURJKSA-N 1 0 384.495 4.026 20 0 GIADRO Cc1cccc(CC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)c1Cl ZINC000457077312 822850598 /nfs/dbraw/zinc/85/05/98/822850598.db2.gz ZXSTYIUFUQELNE-UHFFFAOYSA-N 1 0 376.850 4.066 20 0 GIADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)c2csc(-c3cccs3)n2)C1 ZINC000457081618 822851008 /nfs/dbraw/zinc/85/10/08/822851008.db2.gz DGDHSZOMPZZAJL-CQSZACIVSA-N 1 0 377.579 4.090 20 0 GIADRO CC1(C)CCC[N@@H+]1CCNC(=O)Cc1csc(-c2ccc(Cl)s2)n1 ZINC000457083774 822851265 /nfs/dbraw/zinc/85/12/65/822851265.db2.gz XPRJFRYPSKXLEG-UHFFFAOYSA-N 1 0 383.970 4.058 20 0 GIADRO CC[C@H]1C[N@H+](CC(=O)Nc2ccc(NC(C)=O)cc2)CC[C@@H]1c1ccccc1 ZINC000174890005 822851331 /nfs/dbraw/zinc/85/13/31/822851331.db2.gz YYJQDJGOMCCPMS-AVRDEDQJSA-N 1 0 379.504 4.099 20 0 GIADRO Cc1ccc2nc(C)c(C(=O)N(C)C3CC[NH+](CCC(F)(F)F)CC3)cc2c1 ZINC000457092321 822852668 /nfs/dbraw/zinc/85/26/68/822852668.db2.gz XEIGATXRNNRTKL-UHFFFAOYSA-N 1 0 393.453 4.340 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1cn(-c2ccccc2)nn1)c1ccc(Br)cc1O ZINC000186113379 822852802 /nfs/dbraw/zinc/85/28/02/822852802.db2.gz GBLHWBCTQAYACM-OLZOCXBDSA-N 1 0 387.281 4.147 20 0 GIADRO COc1ccsc1[C@@H](C)[NH2+]C[C@H](O)COc1cccc(Cl)c1Cl ZINC000186126139 822853823 /nfs/dbraw/zinc/85/38/23/822853823.db2.gz QHVXMJNAHBCCNL-MNOVXSKESA-N 1 0 376.305 4.154 20 0 GIADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC=CC[C@@H]2c2nc3ccccc3s2)C1 ZINC000457110669 822854110 /nfs/dbraw/zinc/85/41/10/822854110.db2.gz ICYIWGIVLUXCMN-OKZBNKHCSA-N 1 0 383.561 4.287 20 0 GIADRO COc1cccc(F)c1NC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000186134866 822854447 /nfs/dbraw/zinc/85/44/47/822854447.db2.gz XVPAWMMVLNHATJ-SCLBCKFNSA-N 1 0 377.485 4.100 20 0 GIADRO Cc1oc2ccccc2c1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000186135617 822854639 /nfs/dbraw/zinc/85/46/39/822854639.db2.gz ZXHNODXTGQMHES-NHCUHLMSSA-N 1 0 397.563 4.150 20 0 GIADRO CCC(CC)c1cc(CNC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)on1 ZINC000174912714 822854702 /nfs/dbraw/zinc/85/47/02/822854702.db2.gz FWJRYTQWYYLLIG-OAQYLSRUSA-N 1 0 384.524 4.215 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000053968512 822854997 /nfs/dbraw/zinc/85/49/97/822854997.db2.gz NOFYVEJXNRERHQ-SJLPKXTDSA-N 1 0 382.470 4.444 20 0 GIADRO O=C(CC1CCCC1)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000457121916 822855276 /nfs/dbraw/zinc/85/52/76/822855276.db2.gz USVJMMITDLKOJW-UHFFFAOYSA-N 1 0 389.971 4.033 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cccc(Br)c1 ZINC000174916091 822855638 /nfs/dbraw/zinc/85/56/38/822855638.db2.gz MXAPWGXVSFVEFF-QGZVFWFLSA-N 1 0 387.321 4.043 20 0 GIADRO CCCCCCOc1ccc(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000053990131 822855849 /nfs/dbraw/zinc/85/58/49/822855849.db2.gz JARMSSSMMPFUFP-UHFFFAOYSA-N 1 0 395.547 4.435 20 0 GIADRO C[NH+](C)CCOc1ccc(CNC(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000053992171 822855931 /nfs/dbraw/zinc/85/59/31/822855931.db2.gz QYPKPZXJBOISJB-UHFFFAOYSA-N 1 0 388.511 4.075 20 0 GIADRO C[NH+](C)CCOc1ccc(CNC(=O)c2sc3ccccc3c2Cl)cc1 ZINC000053992240 822856051 /nfs/dbraw/zinc/85/60/51/822856051.db2.gz QEYHDDXRPIHBKD-UHFFFAOYSA-N 1 0 388.920 4.425 20 0 GIADRO COc1cccc(F)c1NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000186153478 822856124 /nfs/dbraw/zinc/85/61/24/822856124.db2.gz HMEYQYTUATVMBN-AEFFLSMTSA-N 1 0 385.483 4.351 20 0 GIADRO CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@@H]2Nc1cc[nH+]cc1C(N)=O ZINC000186158562 822856766 /nfs/dbraw/zinc/85/67/66/822856766.db2.gz HDAYFNVANGIYQA-KRWDZBQOSA-N 1 0 382.464 4.017 20 0 GIADRO CCn1cc(C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000174925325 822856776 /nfs/dbraw/zinc/85/67/76/822856776.db2.gz ADETUAAUVVJLEX-HXUWFJFHSA-N 1 0 375.516 4.255 20 0 GIADRO Cc1noc2nc(-c3ccc(C)cc3)cc(C(=O)N(C)[C@@H]3CC[N@@H+](C(C)C)C3)c12 ZINC000457141142 822856812 /nfs/dbraw/zinc/85/68/12/822856812.db2.gz ZAIFSBYHEAHDKD-GOSISDBHSA-N 1 0 392.503 4.061 20 0 GIADRO CCOc1ccc2cc(C(=O)N(C)C[C@H]3CC[N@H+](Cc4ccccc4)C3)[nH]c2c1 ZINC000174926767 822856875 /nfs/dbraw/zinc/85/68/75/822856875.db2.gz RGDXTHAWDAWNRI-LJQANCHMSA-N 1 0 391.515 4.161 20 0 GIADRO Cc1ccc(C(F)(F)F)cc1NC(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000174928129 822857163 /nfs/dbraw/zinc/85/71/63/822857163.db2.gz KWXBESWPRFJCEW-UHFFFAOYSA-N 1 0 380.414 4.005 20 0 GIADRO COc1cccc(Cl)c1C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000174930986 822857460 /nfs/dbraw/zinc/85/74/60/822857460.db2.gz RDLXVLQCEMUTBN-UHFFFAOYSA-N 1 0 383.275 4.195 20 0 GIADRO COc1cc(OC)cc(N2CC[C@H]([NH2+]Cc3ccc(CSC(F)F)o3)C2)c1 ZINC000174930678 822857468 /nfs/dbraw/zinc/85/74/68/822857468.db2.gz CFHBEDOUWDGDTQ-ZDUSSCGKSA-N 1 0 398.475 4.121 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1csc(-c2cccs2)n1 ZINC000174932201 822857812 /nfs/dbraw/zinc/85/78/12/822857812.db2.gz YUIZKUFWQTZTHG-KRWDZBQOSA-N 1 0 397.569 4.466 20 0 GIADRO C[N@@H+]1CCCN(c2ccc(NC(=O)c3cc4ccc(Cl)cc4[nH]3)cc2)CC1 ZINC000054012529 822858930 /nfs/dbraw/zinc/85/89/30/822858930.db2.gz QEXRJGMOSWWEOK-UHFFFAOYSA-N 1 0 382.895 4.216 20 0 GIADRO Cn1ccc(C(=O)N2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000457194653 822860027 /nfs/dbraw/zinc/86/00/27/822860027.db2.gz MYKZXJZKAZXEAS-QHCPKHFHSA-N 1 0 379.548 4.322 20 0 GIADRO O=C([C@@H]1CCCOCC1)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457194637 822860098 /nfs/dbraw/zinc/86/00/98/822860098.db2.gz MRIXPPHWPHHQAP-DNQXCXABSA-N 1 0 398.591 4.487 20 0 GIADRO C[C@H](CNC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1)c1nccs1 ZINC000186199983 822860149 /nfs/dbraw/zinc/86/01/49/822860149.db2.gz OIZARUPQUNKISQ-SJORKVTESA-N 1 0 386.565 4.209 20 0 GIADRO CN(Cc1csc(-c2ccccn2)n1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000174952554 822860412 /nfs/dbraw/zinc/86/04/12/822860412.db2.gz WOXOTAIQTCFCNV-HXUWFJFHSA-N 1 0 378.545 4.302 20 0 GIADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000186203194 822860625 /nfs/dbraw/zinc/86/06/25/822860625.db2.gz NVZWYHOZYLWTDL-ZDUSSCGKSA-N 1 0 376.850 4.457 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1 ZINC000174954291 822860744 /nfs/dbraw/zinc/86/07/44/822860744.db2.gz DWNAJVHLFYPOQP-LBPRGKRZSA-N 1 0 392.758 4.249 20 0 GIADRO COc1ccsc1[C@@H](C)[NH2+]Cc1cc(Br)c(OC)c(OC)c1 ZINC000186205800 822860868 /nfs/dbraw/zinc/86/08/68/822860868.db2.gz KOPAQJZJGSVMFZ-SNVBAGLBSA-N 1 0 386.311 4.387 20 0 GIADRO Cc1ccc(NC(=O)[C@@H](C)CCCc2ccccc2)cc1NC(=O)CC[NH+](C)C ZINC000186217345 822861711 /nfs/dbraw/zinc/86/17/11/822861711.db2.gz FXHZTBRQPSHLBF-IBGZPJMESA-N 1 0 395.547 4.483 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(Br)cs1 ZINC000174962085 822861850 /nfs/dbraw/zinc/86/18/50/822861850.db2.gz ANMCEZANQNWFFA-HNNXBMFYSA-N 1 0 393.350 4.105 20 0 GIADRO COc1ccccc1C[C@H](C)CC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174963006 822861992 /nfs/dbraw/zinc/86/19/92/822861992.db2.gz LNWGJCIYSUFNKT-UNMCSNQZSA-N 1 0 394.559 4.244 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1SCCc2sccc21 ZINC000174963830 822862212 /nfs/dbraw/zinc/86/22/12/822862212.db2.gz CGNXLIQJRPRFDS-XLIONFOSSA-N 1 0 386.586 4.059 20 0 GIADRO CC(C)c1ccc2c(c1)[C@H](NC(=O)NC1CC[NH+](Cc3ccccn3)CC1)CC2 ZINC000186222973 822862237 /nfs/dbraw/zinc/86/22/37/822862237.db2.gz UTBHIAKVQWBSBL-HSZRJFAPSA-N 1 0 392.547 4.156 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)NCc2nc3ccccc3s2)cc1 ZINC000054103074 822862542 /nfs/dbraw/zinc/86/25/42/822862542.db2.gz GJFOCVCINPSUKU-UHFFFAOYSA-N 1 0 382.533 4.138 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(C2CC2)n(C(C)(C)C)n1 ZINC000174969717 822862622 /nfs/dbraw/zinc/86/26/22/822862622.db2.gz PCJJJRWPSVWBES-LJQANCHMSA-N 1 0 394.563 4.110 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cccn1Cc1cccs1 ZINC000174970060 822862782 /nfs/dbraw/zinc/86/27/82/822862782.db2.gz UEDAGLUCTQRHRF-HXUWFJFHSA-N 1 0 393.556 4.192 20 0 GIADRO Cc1cccc(CSCC(=O)Nc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)c1 ZINC000186246090 822864443 /nfs/dbraw/zinc/86/44/43/822864443.db2.gz CQQNNIXZHLVQLM-UHFFFAOYSA-N 1 0 399.560 4.066 20 0 GIADRO Cc1cc(C(=O)Nc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)c(Cl)cc1F ZINC000186253794 822865348 /nfs/dbraw/zinc/86/53/48/822865348.db2.gz QNUKHRWBJUAYRC-UHFFFAOYSA-N 1 0 391.874 4.238 20 0 GIADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)Nc3ccc(-c4ccc(Cl)s4)nc3)C[C@H]21 ZINC000568963707 822865708 /nfs/dbraw/zinc/86/57/08/822865708.db2.gz KNZZFFQHBYGGJX-IACUBPJLSA-N 1 0 376.913 4.055 20 0 GIADRO Cc1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1NC(=O)CC[NH+](C)C ZINC000186261342 822866436 /nfs/dbraw/zinc/86/64/36/822866436.db2.gz NNCOUCRSULWLNQ-UHFFFAOYSA-N 1 0 394.302 4.444 20 0 GIADRO C[C@@H](NC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)c1nc(-c2ccccc2)cs1 ZINC000568971585 822866509 /nfs/dbraw/zinc/86/65/09/822866509.db2.gz LHTZDHHAMKAQLJ-QAPCUYQASA-N 1 0 384.549 4.187 20 0 GIADRO Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)cc1NC(=O)CC[NH+](C)C ZINC000186265197 822867017 /nfs/dbraw/zinc/86/70/17/822867017.db2.gz DLURYBDMVCFVOV-RBUKOAKNSA-N 1 0 399.922 4.281 20 0 GIADRO Cc1ccc(NC(=O)[C@@H](C)c2ccc(Cl)s2)cc1NC(=O)CC[NH+](C)C ZINC000186266742 822867196 /nfs/dbraw/zinc/86/71/96/822867196.db2.gz AANCQFCXIMMIPG-ZDUSSCGKSA-N 1 0 393.940 4.342 20 0 GIADRO COc1cc(NC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)ccc1OC(C)C ZINC000186267883 822867541 /nfs/dbraw/zinc/86/75/41/822867541.db2.gz AHULAAUYMSERPP-SJORKVTESA-N 1 0 389.540 4.257 20 0 GIADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1c(Cl)cc(F)cc1Br ZINC000568986560 822867642 /nfs/dbraw/zinc/86/76/42/822867642.db2.gz OKAMJRZZVYFESS-SNVBAGLBSA-N 1 0 391.712 4.044 20 0 GIADRO COc1ccc(C(=O)C2CC[NH+](Cc3ccc4c(c3)COC(C)(C)O4)CC2)cc1 ZINC000186269799 822867702 /nfs/dbraw/zinc/86/77/02/822867702.db2.gz NGMUAMXGBLSSAR-UHFFFAOYSA-N 1 0 395.499 4.435 20 0 GIADRO C[NH2+]Cc1ccc(NC(=O)[C@@H]2C[C@]23CCc2cc(Br)ccc23)cc1 ZINC000569004438 822868867 /nfs/dbraw/zinc/86/88/67/822868867.db2.gz FBPGPDUZVQXUJJ-ICSRJNTNSA-N 1 0 385.305 4.011 20 0 GIADRO COc1cccc(F)c1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000186277616 822869052 /nfs/dbraw/zinc/86/90/52/822869052.db2.gz DELQFKYIWGJHDB-AYHJJNSGSA-N 1 0 383.467 4.151 20 0 GIADRO Cc1ccc(-c2nc(CC(=O)N[C@@H]3CC[N@@H+]([C@@H](C)c4ccccc4)C3)cs2)o1 ZINC000054223383 822869247 /nfs/dbraw/zinc/86/92/47/822869247.db2.gz QQZOITYVKUKCEK-FUHWJXTLSA-N 1 0 395.528 4.206 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccc(F)cc2Br)C1 ZINC000054225362 822869437 /nfs/dbraw/zinc/86/94/37/822869437.db2.gz XCKACDANSKEXFL-CJNGLKHVSA-N 1 0 391.284 4.154 20 0 GIADRO Cc1cc2occ(C(=O)Nc3ccccc3C[NH+]3CCC(O)CC3)c2cc1C ZINC000186280381 822869490 /nfs/dbraw/zinc/86/94/90/822869490.db2.gz WVCXNFMTOPPPAB-UHFFFAOYSA-N 1 0 378.472 4.259 20 0 GIADRO Cc1sc(-c2ccco2)nc1C(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000175023809 822869550 /nfs/dbraw/zinc/86/95/50/822869550.db2.gz TWUHNQHWEZARNZ-UHFFFAOYSA-N 1 0 395.528 4.448 20 0 GIADRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)CCc1c2ccccc2[nH]c1-c1ccc(F)cc1 ZINC000457356365 822870016 /nfs/dbraw/zinc/87/00/16/822870016.db2.gz FQYRBNHIHKPLEA-FOIQADDNSA-N 1 0 379.479 4.245 20 0 GIADRO Cc1cccc2[nH]cc(CC(=O)N(Cc3ccccc3)C3CC[NH+](C)CC3)c21 ZINC000175026516 822870215 /nfs/dbraw/zinc/87/02/15/822870215.db2.gz CJDDUYYIFWMMHQ-UHFFFAOYSA-N 1 0 375.516 4.142 20 0 GIADRO Cc1ccc(-c2nc(C(=O)N3CC[C@H](c4ccc(F)cc4)[C@@H]([NH3+])C3)cs2)cc1 ZINC000457369111 822870795 /nfs/dbraw/zinc/87/07/95/822870795.db2.gz MSTQRVYNPPAARS-MOPGFXCFSA-N 1 0 395.503 4.215 20 0 GIADRO C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000457369743 822870926 /nfs/dbraw/zinc/87/09/26/822870926.db2.gz DGCAXRPRKDABLV-NJAFHUGGSA-N 1 0 383.458 4.196 20 0 GIADRO [NH3+][C@@H]1CN(C(=O)C[C@@H](c2ccccc2)C(F)(F)F)CC[C@H]1c1ccc(F)cc1 ZINC000457370436 822870939 /nfs/dbraw/zinc/87/09/39/822870939.db2.gz OFSKCVCXQFCLHP-GBESFXJTSA-N 1 0 394.412 4.205 20 0 GIADRO CC[C@H](CC(=O)N1CC[C@@H](c2ccc(OC)c(F)c2)[C@@H]([NH3+])C1)c1ccccc1 ZINC000457374132 822871148 /nfs/dbraw/zinc/87/11/48/822871148.db2.gz KHTXAWWYXKAQNN-PBEJRMEISA-N 1 0 384.495 4.061 20 0 GIADRO COc1ccccc1C[N@H+](Cc1ccc(OCc2nccn2C)cc1)C1CC1 ZINC000054255628 822871216 /nfs/dbraw/zinc/87/12/16/822871216.db2.gz SYYMDDQUHQNIFY-UHFFFAOYSA-N 1 0 377.488 4.172 20 0 GIADRO Cc1c(C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)cccc1-c1ccccn1 ZINC000457383568 822871868 /nfs/dbraw/zinc/87/18/68/822871868.db2.gz QWIIIRAYCNBZTO-YADHBBJMSA-N 1 0 389.474 4.153 20 0 GIADRO Cc1cccc(NC(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000175053401 822874422 /nfs/dbraw/zinc/87/44/22/822874422.db2.gz WTGPFGQFJNGVCG-UHFFFAOYSA-N 1 0 395.547 4.496 20 0 GIADRO C[C@H](C[NH+]1CCCCCC1)NC(=O)CCc1ncc(-c2ccccc2Cl)o1 ZINC000186314754 822874965 /nfs/dbraw/zinc/87/49/65/822874965.db2.gz HUGOFYGHHGRQBN-MRXNPFEDSA-N 1 0 389.927 4.308 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+][C@H](c2cccnc2)c2ccc(F)c(F)c2)C12CCOCC2 ZINC000186316568 822875303 /nfs/dbraw/zinc/87/53/03/822875303.db2.gz YOEGIQKTLVUZKF-HBMCJLEFSA-N 1 0 388.458 4.013 20 0 GIADRO Cc1ccc(NC(=O)N2CCC([NH+]3CCCC3)CC2)c(-c2nc(C3CC3)no2)c1 ZINC000175063420 822876188 /nfs/dbraw/zinc/87/61/88/822876188.db2.gz JPAOVJFFARHMLY-UHFFFAOYSA-N 1 0 395.507 4.015 20 0 GIADRO Cc1ccccc1C(NC(=O)NC1CC[NH+](C2CC2)CC1)c1ccccc1C ZINC000186324061 822876205 /nfs/dbraw/zinc/87/62/05/822876205.db2.gz GGQCLPUDSMIMRC-UHFFFAOYSA-N 1 0 377.532 4.319 20 0 GIADRO C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000457452730 822876269 /nfs/dbraw/zinc/87/62/69/822876269.db2.gz RIPKPNZTWPTFBT-PMPSAXMXSA-N 1 0 387.446 4.179 20 0 GIADRO Cc1c(NC(=O)c2ccccc2)cccc1NC(=O)C1C[NH+](C2CCCCC2)C1 ZINC000457465148 822877856 /nfs/dbraw/zinc/87/78/56/822877856.db2.gz CFSXRAGQFWTKSX-UHFFFAOYSA-N 1 0 391.515 4.450 20 0 GIADRO Cc1ccc(CN2CCOCC2)cc1NC(=O)C[C@@H](C)Cc1cccc(F)c1 ZINC000175076255 822878095 /nfs/dbraw/zinc/87/80/95/822878095.db2.gz QXFSNWJJXMPPAF-KRWDZBQOSA-N 1 0 384.495 4.174 20 0 GIADRO C[C@@H](NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)c1cccc(Cl)c1 ZINC000457473620 822878731 /nfs/dbraw/zinc/87/87/31/822878731.db2.gz YKCCOLODUOWIAY-CYBMUJFWSA-N 1 0 391.865 4.459 20 0 GIADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000457479131 822879339 /nfs/dbraw/zinc/87/93/39/822879339.db2.gz CQHDPPBSPBDLHB-APWZRJJASA-N 1 0 385.533 4.415 20 0 GIADRO Cc1cccc(Oc2ccccc2NC(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1 ZINC000569090455 822879381 /nfs/dbraw/zinc/87/93/81/822879381.db2.gz ZNKLMRIFKIRBJG-KNQAVFIVSA-N 1 0 395.503 4.147 20 0 GIADRO CC(C)Sc1ccc([C@H](C)NC(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)cc1 ZINC000569091350 822879395 /nfs/dbraw/zinc/87/93/95/822879395.db2.gz HCSLAYYIIFGYDD-WMLDXEAASA-N 1 0 384.549 4.281 20 0 GIADRO CC(C)C[C@H]1OCCC[C@@H]1[NH2+]Cc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000186347514 822879719 /nfs/dbraw/zinc/87/97/19/822879719.db2.gz KMPLGIPLIIQQII-JKSUJKDBSA-N 1 0 375.538 4.360 20 0 GIADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc(NC(=O)c3ccco3)cc2)C1 ZINC000054387526 822880521 /nfs/dbraw/zinc/88/05/21/822880521.db2.gz FIEOMOHIMMAWCO-MRXNPFEDSA-N 1 0 398.507 4.164 20 0 GIADRO OC1(c2cccnc2)CCC([NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000186351931 822880500 /nfs/dbraw/zinc/88/05/00/822880500.db2.gz VSGYSMGBLTWQFH-AJPWXKBRSA-N 1 0 392.421 4.388 20 0 GIADRO O=C(NCC1=CC[NH2+]CC1)c1oc2ccccc2c1CSc1cccs1 ZINC000186355273 822880869 /nfs/dbraw/zinc/88/08/69/822880869.db2.gz LTOJGQOYVSOMKE-UHFFFAOYSA-N 1 0 384.526 4.436 20 0 GIADRO CN(c1ccccc1)c1ccc(C(=O)Nc2nc(C3CC[NH2+]CC3)cs2)cn1 ZINC000569119986 822881212 /nfs/dbraw/zinc/88/12/12/822881212.db2.gz WIGCYAFDKRSVFK-UHFFFAOYSA-N 1 0 393.516 4.025 20 0 GIADRO O=C(Nc1ccc(SCC[NH+]2CCCCC2)cc1)N1CCC2(CCO2)CC1 ZINC000569117634 822881344 /nfs/dbraw/zinc/88/13/44/822881344.db2.gz HHEGYJYVINTGOR-UHFFFAOYSA-N 1 0 389.565 4.051 20 0 GIADRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1cncc(Cl)c1C ZINC000457497406 822881806 /nfs/dbraw/zinc/88/18/06/822881806.db2.gz DCYPJNWAUSAPPJ-UHFFFAOYSA-N 1 0 375.925 4.153 20 0 GIADRO CC(C)C(=O)Nc1cccc(NC(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000054406248 822882566 /nfs/dbraw/zinc/88/25/66/822882566.db2.gz NQHPQLATSKXPCW-UWJYYQICSA-N 1 0 394.519 4.238 20 0 GIADRO CC(C)C[C@H]1OCCC[C@H]1[NH2+]Cc1nnc(-c2ccccc2Br)o1 ZINC000186369367 822883088 /nfs/dbraw/zinc/88/30/88/822883088.db2.gz MBKPNXCRHQNBOT-HZPDHXFCSA-N 1 0 394.313 4.182 20 0 GIADRO CCOc1cccc2cc([C@@H](C)NC(=O)NC(C)(C)CCC[NH+](C)C)oc21 ZINC000457511868 822883781 /nfs/dbraw/zinc/88/37/81/822883781.db2.gz GULLIHRLOCEADU-OAHLLOKOSA-N 1 0 375.513 4.312 20 0 GIADRO CCOc1ccc(OCC)c(NC(=O)NC2CC[NH+](C3CCCC3)CC2)c1 ZINC000175111264 822884424 /nfs/dbraw/zinc/88/44/24/822884424.db2.gz UNAHSWMQHWAXPJ-UHFFFAOYSA-N 1 0 375.513 4.013 20 0 GIADRO COc1cc(-c2nc(C[NH2+][C@H]3CCCO[C@@H]3CC(C)C)cs2)ccc1O ZINC000186377908 822884610 /nfs/dbraw/zinc/88/46/10/822884610.db2.gz VPSHOUGKPXGIGS-FUHWJXTLSA-N 1 0 376.522 4.208 20 0 GIADRO COc1ccccc1[C@H](C[NH2+][C@H](C)c1ccc(-n2cncn2)cc1)OC(C)C ZINC000186381345 822885175 /nfs/dbraw/zinc/88/51/75/822885175.db2.gz BATNIABSXGJVTI-VGSWGCGISA-N 1 0 380.492 4.093 20 0 GIADRO CCCOc1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)cc1OC ZINC000569155355 822885359 /nfs/dbraw/zinc/88/53/59/822885359.db2.gz CLLICJWXCMPWAM-FSSWDIPSSA-N 1 0 381.516 4.489 20 0 GIADRO CCc1cnc(CNC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)s1 ZINC000175121106 822886186 /nfs/dbraw/zinc/88/61/86/822886186.db2.gz TUCGSPGOPLMMMJ-MRXNPFEDSA-N 1 0 386.565 4.079 20 0 GIADRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)CCCCC(C)C)CC2)c1C ZINC000457529168 822886426 /nfs/dbraw/zinc/88/64/26/822886426.db2.gz NIBUGFHEODSCBM-UHFFFAOYSA-N 1 0 389.584 4.346 20 0 GIADRO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(c2noc3ccc(Cl)cc32)C1 ZINC000569165244 822887004 /nfs/dbraw/zinc/88/70/04/822887004.db2.gz LTFUOCZUMICILP-ZDUSSCGKSA-N 1 0 376.913 4.204 20 0 GIADRO CC(C)Oc1ccc([C@H](C[NH2+]Cc2cccc(-n3cccn3)c2)N(C)C)cc1 ZINC000569166848 822887372 /nfs/dbraw/zinc/88/73/72/822887372.db2.gz VIZLUTXWSVPJSQ-QHCPKHFHSA-N 1 0 378.520 4.052 20 0 GIADRO COCCCOc1ccccc1NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000054470537 822887957 /nfs/dbraw/zinc/88/79/57/822887957.db2.gz RYKHXAIKGINZCO-UHFFFAOYSA-N 1 0 397.519 4.019 20 0 GIADRO Cc1ccc(Oc2ccc(C(=O)N3CCC(C[NH+]4CCCC4)CC3)nc2)cc1 ZINC000457557462 822890609 /nfs/dbraw/zinc/89/06/09/822890609.db2.gz OPVHKPKIHUOXQL-UHFFFAOYSA-N 1 0 379.504 4.130 20 0 GIADRO C[C@@H](NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1)c1cccc(OCc2ccccc2)c1 ZINC000569188506 822890686 /nfs/dbraw/zinc/89/06/86/822890686.db2.gz DEMWSPBVSJLPDC-DENIHFKCSA-N 1 0 393.531 4.206 20 0 GIADRO Cc1cc(Br)c(C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)s1 ZINC000457559296 822891014 /nfs/dbraw/zinc/89/10/14/822891014.db2.gz OVACLMNQXILQQR-LBPRGKRZSA-N 1 0 381.339 4.069 20 0 GIADRO CCOC(=O)N1CCC([C@H](C)[NH2+]Cc2ccc(Cl)c3cccnc23)CC1 ZINC000186423914 822892388 /nfs/dbraw/zinc/89/23/88/822892388.db2.gz QPCPKAJCERAVDM-AWEZNQCLSA-N 1 0 375.900 4.235 20 0 GIADRO Cc1ccc(Oc2ccc(C(=O)N3CCC[N@@H+](C4CCCC4)CC3)nc2)cc1 ZINC000457576148 822893784 /nfs/dbraw/zinc/89/37/84/822893784.db2.gz LVMKWXJZQXGWPX-UHFFFAOYSA-N 1 0 379.504 4.273 20 0 GIADRO O=C(NCc1ccco1)c1cccc(C[NH2+][C@H]2CCCc3ccc(O)cc32)c1 ZINC000569217660 822893791 /nfs/dbraw/zinc/89/37/91/822893791.db2.gz IWVZWBUTWVUMQF-QFIPXVFZSA-N 1 0 376.456 4.082 20 0 GIADRO CC(C)n1nc(-c2ccccc2)cc1NC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000569223518 822894352 /nfs/dbraw/zinc/89/43/52/822894352.db2.gz YXSMVPZYSNAAAG-NRFANRHFSA-N 1 0 389.503 4.221 20 0 GIADRO Cc1cccc(Oc2ccc(C(=O)N3CCC[N@@H+](C4CCCC4)CC3)nc2)c1 ZINC000457585634 822894554 /nfs/dbraw/zinc/89/45/54/822894554.db2.gz VFHKFIKONSENRK-UHFFFAOYSA-N 1 0 379.504 4.273 20 0 GIADRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)[C@H]1CCCC[C@H]1C ZINC000569232546 822895135 /nfs/dbraw/zinc/89/51/35/822895135.db2.gz FXOHDLNAUNNMQT-UIFIKXQLSA-N 1 0 380.536 4.403 20 0 GIADRO CC[NH+](CC)CCOC1CCN(C(=O)c2ccc(OC(C)C)cc2Cl)CC1 ZINC000457603567 822896485 /nfs/dbraw/zinc/89/64/85/822896485.db2.gz OXORZCBZIOFJRN-UHFFFAOYSA-N 1 0 396.959 4.090 20 0 GIADRO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186443373 822896577 /nfs/dbraw/zinc/89/65/77/822896577.db2.gz DEYZKAPYLNXMEY-RUZDIDTESA-N 1 0 387.527 4.488 20 0 GIADRO CC(=O)N(c1nc(C[NH2+]C2Cc3ccccc3C2)cs1)c1ccc(F)cc1 ZINC000186444804 822896762 /nfs/dbraw/zinc/89/67/62/822896762.db2.gz TZRWPLZHXOJDBH-UHFFFAOYSA-N 1 0 381.476 4.224 20 0 GIADRO Cc1cc(NC(=O)c2ccc(OC(C)C)cc2Cl)n(C2CC[NH+](C)CC2)n1 ZINC000457616953 822897434 /nfs/dbraw/zinc/89/74/34/822897434.db2.gz AZRQDVOBLBJROV-UHFFFAOYSA-N 1 0 390.915 4.151 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(Oc3cccc(Cl)c3)cn2)C1 ZINC000457624802 822898443 /nfs/dbraw/zinc/89/84/43/822898443.db2.gz RXNBILPYVYIDOX-MRXNPFEDSA-N 1 0 387.911 4.331 20 0 GIADRO COC[C@@H]1CCCN(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000457649350 822901184 /nfs/dbraw/zinc/90/11/84/822901184.db2.gz LGYLKZURLOEEJW-DENIHFKCSA-N 1 0 387.568 4.019 20 0 GIADRO Cc1c([C@@H](C)[NH2+]CCc2nn(C)c3ccccc23)nnn1-c1cccc(Cl)c1 ZINC000186482531 822902441 /nfs/dbraw/zinc/90/24/41/822902441.db2.gz NCHXKECKYUGGME-CQSZACIVSA-N 1 0 394.910 4.009 20 0 GIADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(Oc3cccc(Cl)c3)cn2)C1 ZINC000457669772 822904312 /nfs/dbraw/zinc/90/43/12/822904312.db2.gz NSRBHESFJWRWDX-MGPUTAFESA-N 1 0 385.895 4.084 20 0 GIADRO COc1ccccc1-c1ncc(C[NH2+][C@H]2CCO[C@H](c3ccccc3)C2)cn1 ZINC000569303837 822904483 /nfs/dbraw/zinc/90/44/83/822904483.db2.gz VNNBVGMCXNDIKX-UGKGYDQZSA-N 1 0 375.472 4.162 20 0 GIADRO C[C@H](CC(F)(F)F)C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000457675547 822904954 /nfs/dbraw/zinc/90/49/54/822904954.db2.gz ASKRLKPTFWESRH-IXPVHAAZSA-N 1 0 380.813 4.177 20 0 GIADRO CCc1cc2oc(=O)cc(C[N@@H+]3CCC[C@@H](c4nc(C)no4)C3)c2cc1Cl ZINC000054676996 822905082 /nfs/dbraw/zinc/90/50/82/822905082.db2.gz KQPLRFUKKCLLPH-CQSZACIVSA-N 1 0 387.867 4.080 20 0 GIADRO CCCOC[C@@H](Cc1cccc(Br)c1)[NH2+][C@H](C)c1c[nH]nc1C ZINC000186503635 822905810 /nfs/dbraw/zinc/90/58/10/822905810.db2.gz MNTOQDWVBXFSFX-CXAGYDPISA-N 1 0 380.330 4.169 20 0 GIADRO Cc1c(Cl)cncc1C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000457684190 822906276 /nfs/dbraw/zinc/90/62/76/822906276.db2.gz HYKLRCCAJKGZOM-UGSOOPFHSA-N 1 0 396.293 4.259 20 0 GIADRO O=C(Nc1ccc(Oc2ccccc2F)nc1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000569320486 822906999 /nfs/dbraw/zinc/90/69/99/822906999.db2.gz YMVCDVFSMVNFKS-APWZRJJASA-N 1 0 398.482 4.399 20 0 GIADRO O=C(Nc1ccc(Oc2ccccc2F)nc1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000569320488 822907295 /nfs/dbraw/zinc/90/72/95/822907295.db2.gz YMVCDVFSMVNFKS-QFBILLFUSA-N 1 0 398.482 4.399 20 0 GIADRO Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000186519407 822907572 /nfs/dbraw/zinc/90/75/72/822907572.db2.gz JITQCEWLYSPOOT-AWEZNQCLSA-N 1 0 386.293 4.500 20 0 GIADRO C[C@@H](NC(=O)Cc1ccccc1OC1CCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000457694760 822907745 /nfs/dbraw/zinc/90/77/45/822907745.db2.gz JERGSKPIUANWSH-QUCCMNQESA-N 1 0 384.564 4.320 20 0 GIADRO Cc1cc(Br)c(C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)s1 ZINC000457700997 822908369 /nfs/dbraw/zinc/90/83/69/822908369.db2.gz HNBNUGQVTMAGLU-GFCCVEGCSA-N 1 0 381.339 4.069 20 0 GIADRO CCOc1cc(NC(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)ccc1OC ZINC000175227540 822909161 /nfs/dbraw/zinc/90/91/61/822909161.db2.gz MXMXWPYJOJYFLW-GOSISDBHSA-N 1 0 397.519 4.222 20 0 GIADRO C[C@@H](c1nc2ccccc2s1)N(C)C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000054762200 822910927 /nfs/dbraw/zinc/91/09/27/822910927.db2.gz MNGPOVSAMZOIPR-INIZCTEOSA-N 1 0 382.533 4.131 20 0 GIADRO C[C@H]1CCC[N@H+](CCCCNC(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)C1 ZINC000457730681 822911876 /nfs/dbraw/zinc/91/18/76/822911876.db2.gz IKCVOVBGNROIBK-GHTZIAJQSA-N 1 0 397.567 4.312 20 0 GIADRO Cc1ccc(COc2ccc(C[NH2+][C@@H](C3CC3)C3(CO)CCOCC3)cc2)cc1 ZINC000569370080 822912144 /nfs/dbraw/zinc/91/21/44/822912144.db2.gz NUBCAMXLNSOVTO-DEOSSOPVSA-N 1 0 395.543 4.231 20 0 GIADRO COc1ccc([C@H](NC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)c2ccco2)cc1 ZINC000457734755 822912405 /nfs/dbraw/zinc/91/24/05/822912405.db2.gz KRYGYMBURCFXPL-AVRDEDQJSA-N 1 0 399.535 4.189 20 0 GIADRO CCC[NH+]1CCN(c2ccc(NC(=O)[C@H](CC)CC(F)F)c(OCC)c2)CC1 ZINC000457738081 822912740 /nfs/dbraw/zinc/91/27/40/822912740.db2.gz QFGCUBMGEHDTTE-MRXNPFEDSA-N 1 0 397.510 4.237 20 0 GIADRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NCc1noc(Cc2ccccc2)n1 ZINC000569381975 822913724 /nfs/dbraw/zinc/91/37/24/822913724.db2.gz JMMYYSDJURVOOO-OAQYLSRUSA-N 1 0 390.531 4.051 20 0 GIADRO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)N1C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000457745606 822913798 /nfs/dbraw/zinc/91/37/98/822913798.db2.gz NRJSIOUGNGNSFU-BBWFWOEESA-N 1 0 377.495 4.259 20 0 GIADRO Cc1csc([C@H](C)C[NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)n1 ZINC000186562924 822913918 /nfs/dbraw/zinc/91/39/18/822913918.db2.gz FOZCBXDDONCQGF-VXGBXAGGSA-N 1 0 396.354 4.324 20 0 GIADRO O=C(N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)C1(C(F)F)CCCC1 ZINC000569384232 822914085 /nfs/dbraw/zinc/91/40/85/822914085.db2.gz RBJKALYULKHRGF-UHFFFAOYSA-N 1 0 376.491 4.327 20 0 GIADRO COc1ccc(C2(C[NH2+][C@@H]3CCN(C)[C@@H](c4ccccc4)C3)CCOCC2)cc1 ZINC000569386524 822914408 /nfs/dbraw/zinc/91/44/08/822914408.db2.gz HXFXBISIUCEGGO-ISKFKSNPSA-N 1 0 394.559 4.169 20 0 GIADRO O=C(C[C@@H]1CCCc2ccccc21)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000186568921 822914920 /nfs/dbraw/zinc/91/49/20/822914920.db2.gz KEZZLGNNAWLPIL-UNMCSNQZSA-N 1 0 377.532 4.063 20 0 GIADRO O=C(Cc1cc(Cl)ccc1Cl)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000186569428 822915287 /nfs/dbraw/zinc/91/52/87/822915287.db2.gz DQQPPVWKJIMATB-GOSISDBHSA-N 1 0 392.330 4.102 20 0 GIADRO C[C@@H]1C[C@H](c2cccnc2)N(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)C1 ZINC000186579406 822916650 /nfs/dbraw/zinc/91/66/50/822916650.db2.gz IHOMMVOUQVCKSJ-DZVQBONVSA-N 1 0 384.568 4.217 20 0 GIADRO OC1(Cc2cccc(F)c2)CC[NH+](Cc2cccc(-c3ccccn3)c2)CC1 ZINC000186590392 822918990 /nfs/dbraw/zinc/91/89/90/822918990.db2.gz YATJMUBXTYUYGE-UHFFFAOYSA-N 1 0 376.475 4.457 20 0 GIADRO CCOc1ccc(NC(=O)C[NH2+]C/C(C)=C\c2ccccc2OC(F)F)cc1 ZINC000569413854 822919297 /nfs/dbraw/zinc/91/92/97/822919297.db2.gz ZCQGUGVDAHBOKT-QINSGFPZSA-N 1 0 390.430 4.318 20 0 GIADRO CC(C)[C@@H](CNC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)c1ccccc1 ZINC000457794962 822920229 /nfs/dbraw/zinc/92/02/29/822920229.db2.gz FOUBIJDUVRJGBO-LJQANCHMSA-N 1 0 399.501 4.484 20 0 GIADRO C[NH+](C)C(C)(C)CNC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 ZINC000054907972 822920883 /nfs/dbraw/zinc/92/08/83/822920883.db2.gz AMIDIYQWLWHGBW-UHFFFAOYSA-N 1 0 384.307 4.037 20 0 GIADRO C[C@@H](C(=O)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1)c1ccc(Cl)s1 ZINC000186602897 822922088 /nfs/dbraw/zinc/92/20/88/822922088.db2.gz OLWROYRPIGREPQ-GDBMZVCRSA-N 1 0 377.941 4.071 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCC(=O)c1ccc(F)cc1 ZINC000175279204 822922787 /nfs/dbraw/zinc/92/27/87/822922787.db2.gz OJZXPBZIOQIEJX-HXUWFJFHSA-N 1 0 396.506 4.159 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCc1c[nH]c2ccccc12 ZINC000175280489 822923088 /nfs/dbraw/zinc/92/30/88/822923088.db2.gz IXDJHPUVQFNUDM-NRFANRHFSA-N 1 0 389.543 4.471 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cc1c(C)[nH]c2ccccc21 ZINC000175281345 822923189 /nfs/dbraw/zinc/92/31/89/822923189.db2.gz WGNJZMNCKCWZID-NRFANRHFSA-N 1 0 389.543 4.389 20 0 GIADRO CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)[C@]3(C)CC[C@H](C)C3(C)C)CC2)cc1 ZINC000457831476 822923790 /nfs/dbraw/zinc/92/37/90/822923790.db2.gz NKFWOVGAORTFGI-XDHUDOTRSA-N 1 0 399.579 4.188 20 0 GIADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)N[C@H](c3ccccc3)c3ccc(F)cc3)C2)C1 ZINC000457834003 822924017 /nfs/dbraw/zinc/92/40/17/822924017.db2.gz QQJPDPGHJQYAIH-FYYLOGMGSA-N 1 0 381.495 4.042 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1(c2ccc(F)cc2)CC1 ZINC000175285541 822924505 /nfs/dbraw/zinc/92/45/05/822924505.db2.gz JGUQLLXHYAADAL-FQEVSTJZSA-N 1 0 380.507 4.228 20 0 GIADRO C[C@@H](NC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1nc2ccccc2[nH]1 ZINC000054950645 822924522 /nfs/dbraw/zinc/92/45/22/822924522.db2.gz KKMFWIUFEWSCQP-QGZVFWFLSA-N 1 0 391.519 4.109 20 0 GIADRO CC(C)c1ccccc1NC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000175286776 822924861 /nfs/dbraw/zinc/92/48/61/822924861.db2.gz PNSRPLSOTWNLGY-UHFFFAOYSA-N 1 0 381.520 4.088 20 0 GIADRO COCC[C@@H](Cc1cccc(F)c1)[NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000186625519 822925457 /nfs/dbraw/zinc/92/54/57/822925457.db2.gz AZAYQDYJNQSSHU-FCHUYYIVSA-N 1 0 385.458 4.025 20 0 GIADRO CC[N@@H+]1CCC[C@H]1CNC(=S)N(Cc1cccs1)c1ccc(F)cc1 ZINC000054970500 822926381 /nfs/dbraw/zinc/92/63/81/822926381.db2.gz ZBGUFNLSOZPMHR-KRWDZBQOSA-N 1 0 377.554 4.253 20 0 GIADRO COc1ccccc1[C@H](CNC(=S)Nc1ccccc1F)[NH+]1CCCCC1 ZINC000054971322 822926558 /nfs/dbraw/zinc/92/65/58/822926558.db2.gz PDNLUKLBZXMONX-IBGZPJMESA-N 1 0 387.524 4.348 20 0 GIADRO Cc1ccc(NC(=O)C(C)C)cc1NC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000569469353 822926749 /nfs/dbraw/zinc/92/67/49/822926749.db2.gz VETSOWXUTPXBAE-RBUKOAKNSA-N 1 0 399.922 4.185 20 0 GIADRO CC(C)(C)[S@](=O)Cc1cccc(NC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)c1 ZINC000569474020 822927359 /nfs/dbraw/zinc/92/73/59/822927359.db2.gz HXUWJCNZLNKGER-XHCCPWGMSA-N 1 0 386.561 4.399 20 0 GIADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1csc2ccccc12 ZINC000175301643 822929438 /nfs/dbraw/zinc/92/94/38/822929438.db2.gz HPRHBVDTBYGFPD-UHFFFAOYSA-N 1 0 395.528 4.304 20 0 GIADRO O=C(NC1CCOCC1)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457898241 822930530 /nfs/dbraw/zinc/93/05/30/822930530.db2.gz ZHQNSJGZMKCTOB-HSZRJFAPSA-N 1 0 399.579 4.032 20 0 GIADRO CC[NH+](CC)[C@H](C(=O)N[C@@H](C)c1cncc(F)c1)c1cccc(C(F)(F)F)c1 ZINC000457899044 822930783 /nfs/dbraw/zinc/93/07/83/822930783.db2.gz ZLIPCPUEMGGUGD-UGSOOPFHSA-N 1 0 397.416 4.500 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@H](c2cnn(C)c2)c2ccc(F)cc2)C1 ZINC000186658305 822931252 /nfs/dbraw/zinc/93/12/52/822931252.db2.gz XJSVJPHZLLJSHQ-VSDWSMLSSA-N 1 0 378.495 4.074 20 0 GIADRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000569506586 822931331 /nfs/dbraw/zinc/93/13/31/822931331.db2.gz BZVNGZASFGDGPC-DOPJRALCSA-N 1 0 391.968 4.286 20 0 GIADRO CC(C)[C@@H]([NH2+][C@H](C)Cn1cc(Br)ccc1=O)c1ccc(F)cc1 ZINC000569511117 822932072 /nfs/dbraw/zinc/93/20/72/822932072.db2.gz DNGYFRIRVWNMKH-FZKQIMNGSA-N 1 0 381.289 4.125 20 0 GIADRO COc1ccc(NC(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)cc1SC ZINC000457904898 822932258 /nfs/dbraw/zinc/93/22/58/822932258.db2.gz SZASDCSQIVATAH-UHFFFAOYSA-N 1 0 399.560 4.200 20 0 GIADRO O=C(Nc1ccccc1)NC1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000055030591 822932621 /nfs/dbraw/zinc/93/26/21/822932621.db2.gz NCDRLDKVXFKGPC-UHFFFAOYSA-N 1 0 377.410 4.492 20 0 GIADRO CC(C)(C)[NH+]1CCC(NC(=O)N2CC(c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000457908346 822932699 /nfs/dbraw/zinc/93/26/99/822932699.db2.gz YDWGNHSZOOTACB-UHFFFAOYSA-N 1 0 383.458 4.077 20 0 GIADRO CC(C)(C)CC[NH+]1CCN(Cn2nc3sc4ccccc4n3c2=S)CC1 ZINC000055035508 822932820 /nfs/dbraw/zinc/93/28/20/822932820.db2.gz MUHIAPQPHRQCNP-UHFFFAOYSA-N 1 0 389.594 4.091 20 0 GIADRO COc1ccc(C[N@@H+]2CC[C@H](n3cc(C)cn3)C2)cc1OCc1ccccc1 ZINC000569515444 822932839 /nfs/dbraw/zinc/93/28/39/822932839.db2.gz IZGLMQWRFMZOKR-NRFANRHFSA-N 1 0 377.488 4.226 20 0 GIADRO CO[C@H](C)c1nc(CN2CCC[N@H+](C[C@@H]3CC(C)=C[C@H](C)C3)CC2)cs1 ZINC000569515968 822933174 /nfs/dbraw/zinc/93/31/74/822933174.db2.gz UOJSLSNLKZECPU-UHOSZYNNSA-N 1 0 377.598 4.351 20 0 GIADRO CO[C@H](C)c1nc(CN2CCC[N@H+](C[C@@H]3CC(C)=C[C@@H](C)C3)CC2)cs1 ZINC000569515966 822933217 /nfs/dbraw/zinc/93/32/17/822933217.db2.gz UOJSLSNLKZECPU-QRQLOZEOSA-N 1 0 377.598 4.351 20 0 GIADRO O=C(NCC1CC1)[C@@H]1CCC[N@@H+](Cc2nc(-c3ccccc3Cl)cs2)C1 ZINC000186674340 822934546 /nfs/dbraw/zinc/93/45/46/822934546.db2.gz NRABNEZIXJFAMK-OAHLLOKOSA-N 1 0 389.952 4.202 20 0 GIADRO CC[NH+](CC)CCCNC(=O)C1CCN([C@@H](C)c2cccc(Cl)c2F)CC1 ZINC000186678909 822935696 /nfs/dbraw/zinc/93/56/96/822935696.db2.gz GUAOGKJBNGIOOP-INIZCTEOSA-N 1 0 397.966 4.100 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)Nc1cccc(N2CCCCC2)c1 ZINC000055084287 822937058 /nfs/dbraw/zinc/93/70/58/822937058.db2.gz LYIXVISNIZFFOI-FQEVSTJZSA-N 1 0 382.508 4.229 20 0 GIADRO NC(=O)[C@H]1CC[C@H](C[NH2+][C@@H](c2ccc(F)cc2)c2cnc3ccccc3c2)CC1 ZINC000569566384 822940809 /nfs/dbraw/zinc/94/08/09/822940809.db2.gz WGFPWIDHUIMUDN-CEXJFXJFSA-N 1 0 391.490 4.345 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000457939337 822940772 /nfs/dbraw/zinc/94/07/72/822940772.db2.gz POXUCTKBGMAAGA-FUHWJXTLSA-N 1 0 386.565 4.304 20 0 GIADRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000569569688 822940941 /nfs/dbraw/zinc/94/09/41/822940941.db2.gz AFILXASBKIPVTB-CABCVRRESA-N 1 0 377.941 4.044 20 0 GIADRO c1c(CN2CCC([NH2+]CC3CC3)CC2)c(-c2ccccn2)nn1C1CCCC1 ZINC000569575513 822941640 /nfs/dbraw/zinc/94/16/40/822941640.db2.gz NHYJCFQUFHGVCO-UHFFFAOYSA-N 1 0 379.552 4.024 20 0 GIADRO CCc1nc2ccccc2n1C1CCN(C(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000569600719 822943580 /nfs/dbraw/zinc/94/35/80/822943580.db2.gz JQPMLDLGUCLLEW-HXOBKFHXSA-N 1 0 390.531 4.098 20 0 GIADRO COC[C@H](NC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1)c1ccco1 ZINC000175358416 822944993 /nfs/dbraw/zinc/94/49/93/822944993.db2.gz XUKQDWWDSNCXBF-NRFANRHFSA-N 1 0 399.535 4.231 20 0 GIADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@@H](c2c(Cl)cccc2Cl)C2CC2)C1 ZINC000569626425 822946857 /nfs/dbraw/zinc/94/68/57/822946857.db2.gz JLCCKSZUXZMSRM-FZKQIMNGSA-N 1 0 384.351 4.474 20 0 GIADRO CC1=C[C@H](C)C[C@@H](C[NH2+]Cc2cccc(N3C(=O)NC4(CCCC4)C3=O)c2)C1 ZINC000569629689 822947340 /nfs/dbraw/zinc/94/73/40/822947340.db2.gz HIUPLCJUBVVFGZ-QFBILLFUSA-N 1 0 381.520 4.138 20 0 GIADRO COc1ccc(-n2ccc(C(=O)Nc3cccc(C[NH+]4CCCCC4)c3)n2)cc1 ZINC000055247581 822947471 /nfs/dbraw/zinc/94/74/71/822947471.db2.gz NYJFSTXPMPIZFB-UHFFFAOYSA-N 1 0 390.487 4.119 20 0 GIADRO C[C@H]([NH2+]CCOc1cccc(S(C)(=O)=O)c1)c1cc(Cl)ccc1Cl ZINC000186756037 822950266 /nfs/dbraw/zinc/95/02/66/822950266.db2.gz FMOCJPCIOGCLCK-LBPRGKRZSA-N 1 0 388.316 4.127 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)C2CCN(C(=O)OC)CC2)cc1OCC ZINC000186763173 822951214 /nfs/dbraw/zinc/95/12/14/822951214.db2.gz BQTLSKCKJYTEQB-HOTGVXAUSA-N 1 0 378.513 4.002 20 0 GIADRO COc1ccc(C[C@H]2CCC[N@H+](CC(=O)N(C)[C@@H](C)c3ccccc3)C2)cc1 ZINC000569657098 822951218 /nfs/dbraw/zinc/95/12/18/822951218.db2.gz ZDVZBMYQNGGXCR-PZJWPPBQSA-N 1 0 380.532 4.169 20 0 GIADRO Cc1cnc([C@@H](C)C[NH2+][C@H](C)CC(=O)N(C)Cc2ccccc2Cl)s1 ZINC000186766505 822951760 /nfs/dbraw/zinc/95/17/60/822951760.db2.gz ZWVHPIAPOXUOEG-UONOGXRCSA-N 1 0 379.957 4.235 20 0 GIADRO CCO[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3 ZINC000569663521 822952318 /nfs/dbraw/zinc/95/23/18/822952318.db2.gz LRAYJKKSQJJEPS-CTHBEMJXSA-N 1 0 375.538 4.130 20 0 GIADRO COc1cc(C)c(NC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)cc1F ZINC000186774748 822953258 /nfs/dbraw/zinc/95/32/58/822953258.db2.gz UESOLMJHNBACQH-UHFFFAOYSA-N 1 0 393.890 4.392 20 0 GIADRO CCc1sc(C(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)cc1Br ZINC000569680662 822954693 /nfs/dbraw/zinc/95/46/93/822954693.db2.gz OYLGRJAHAZXWPW-LBPRGKRZSA-N 1 0 385.371 4.019 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)Nc2ccc(N(C)Cc3ccccc3)cc2)CC[N@@H+]1C ZINC000175387988 822955177 /nfs/dbraw/zinc/95/51/77/822955177.db2.gz ILZBPBPDESHIAN-PGRDOPGGSA-N 1 0 380.536 4.269 20 0 GIADRO Cc1ccc(Nc2ccccc2C(=O)N2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1 ZINC000569685494 822955241 /nfs/dbraw/zinc/95/52/41/822955241.db2.gz UVEMXKSOLLAHCL-WMZHIEFXSA-N 1 0 393.531 4.097 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc2c(c1)OCO2)C(=O)Nc1ccccc1C(F)(F)F ZINC000055375315 822955774 /nfs/dbraw/zinc/95/57/74/822955774.db2.gz BPEIAWALHKGLSE-VXGBXAGGSA-N 1 0 380.366 4.112 20 0 GIADRO O=C(NCC1=CC[NH2+]CC1)N[C@@H](c1ccc(Cl)cc1)c1ccccc1Cl ZINC000569695295 822956063 /nfs/dbraw/zinc/95/60/63/822956063.db2.gz RDEGKPKNUAPVNP-IBGZPJMESA-N 1 0 390.314 4.302 20 0 GIADRO O=C(N[C@H]1CCOc2c(Cl)cccc21)c1ccccc1CC1CC[NH2+]CC1 ZINC000569694857 822956069 /nfs/dbraw/zinc/95/60/69/822956069.db2.gz WXONARYHLOJXDD-FQEVSTJZSA-N 1 0 384.907 4.136 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)N(C)[C@H]1C[C@H](c2cccc(OC)c2)C1)c1ccco1 ZINC000458082046 822956328 /nfs/dbraw/zinc/95/63/28/822956328.db2.gz WPKJPHCHNZZYPJ-ZJOUEHCJSA-N 1 0 399.535 4.259 20 0 GIADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000055404764 822958147 /nfs/dbraw/zinc/95/81/47/822958147.db2.gz QYSXMINGUIDUDD-HZPDHXFCSA-N 1 0 389.927 4.164 20 0 GIADRO C[C@@H](CC(=O)N1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1)C1CC[NH2+]CC1 ZINC000569721366 822958846 /nfs/dbraw/zinc/95/88/46/822958846.db2.gz ONTPIGRQQBDLJN-LAUBAEHRSA-N 1 0 380.536 4.156 20 0 GIADRO CC(C)Oc1ccc([C@@H](CNC(=O)c2cnc3ccsc3c2)[NH+](C)C)cc1 ZINC000569722167 822959088 /nfs/dbraw/zinc/95/90/88/822959088.db2.gz ZKNRQDXIPHBCJN-LJQANCHMSA-N 1 0 383.517 4.116 20 0 GIADRO COc1ccc(C[N@H+](C)[C@H](C)c2ccc([S@@](C)=O)cc2)cc1Br ZINC000175403570 822960579 /nfs/dbraw/zinc/96/05/79/822960579.db2.gz TWDWGTSJABSGBU-JCQPUDPBSA-N 1 0 396.350 4.388 20 0 GIADRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cnc(-c4ccc(Cl)cc4)s3)[C@H]2C1 ZINC000569735436 822960906 /nfs/dbraw/zinc/96/09/06/822960906.db2.gz YEMALKDTLSILFD-ZYSHUDEJSA-N 1 0 389.952 4.200 20 0 GIADRO C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000569741963 822962030 /nfs/dbraw/zinc/96/20/30/822962030.db2.gz DZVCZGNIQRJRGS-AWEZNQCLSA-N 1 0 384.351 4.271 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000458145587 822962340 /nfs/dbraw/zinc/96/23/40/822962340.db2.gz NIBNJSXJRJHLIE-KRWDZBQOSA-N 1 0 383.483 4.085 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1nc(-c2ccccc2)cs1 ZINC000175415976 822963821 /nfs/dbraw/zinc/96/38/21/822963821.db2.gz DUGUPEDYEQMFQN-LJQANCHMSA-N 1 0 391.540 4.404 20 0 GIADRO O=C(N[C@H]1CCCc2cn(C3CCCC3)nc21)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000569755001 822964060 /nfs/dbraw/zinc/96/40/60/822964060.db2.gz AFVNHBABYMAILO-RTWAWAEBSA-N 1 0 399.583 4.036 20 0 GIADRO Cc1cc(CCCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c(C)s1 ZINC000175420306 822964551 /nfs/dbraw/zinc/96/45/51/822964551.db2.gz SHTBFEOSYZVKFO-HRAATJIYSA-N 1 0 385.577 4.109 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2F)C1)c1ccc(Br)cn1 ZINC000569758690 822964516 /nfs/dbraw/zinc/96/45/16/822964516.db2.gz LHSJZXYHPVYJEK-DZGCQCFKSA-N 1 0 378.289 4.303 20 0 GIADRO C[N@@H+]1CCC[C@H](CCNC(=O)CCSc2ccnc3cc(Cl)ccc32)C1 ZINC000458176458 822965277 /nfs/dbraw/zinc/96/52/77/822965277.db2.gz CYODPEQJCZHKSW-OAHLLOKOSA-N 1 0 391.968 4.219 20 0 GIADRO Cc1cc(C[N@@H+]2CCSC3(CCOCC3)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000186843954 822966261 /nfs/dbraw/zinc/96/62/61/822966261.db2.gz ZVBVUXAKTRKHHM-UHFFFAOYSA-N 1 0 389.952 4.203 20 0 GIADRO CC1CC[NH+](Cc2ccc(CNC(=O)c3ccoc3C(F)(F)F)cc2)CC1 ZINC000569770239 822966298 /nfs/dbraw/zinc/96/62/98/822966298.db2.gz JINAVUWPYVFUNW-UHFFFAOYSA-N 1 0 380.410 4.460 20 0 GIADRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)Nc1cccc(OCc2cscn2)c1 ZINC000186847401 822966928 /nfs/dbraw/zinc/96/69/28/822966928.db2.gz ROXYPBMWFAYSRT-INIZCTEOSA-N 1 0 388.537 4.108 20 0 GIADRO CC(C)[C@H](CNC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1cccnc1 ZINC000175431448 822967114 /nfs/dbraw/zinc/96/71/14/822967114.db2.gz LKUXYJITHUPWPO-CVDCTZTESA-N 1 0 394.563 4.346 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)c1cc2c(cccc2OC(F)F)[nH]1 ZINC000458197851 822967666 /nfs/dbraw/zinc/96/76/66/822967666.db2.gz GPFGDRJKBGUWAB-UHFFFAOYSA-N 1 0 393.459 4.035 20 0 GIADRO Cc1nc(-c2ccc(C[NH2+]Cc3ccc(-n4cncn4)c(F)c3)cc2)cs1 ZINC000055472509 822967754 /nfs/dbraw/zinc/96/77/54/822967754.db2.gz GWFNJLWBMCWUBB-UHFFFAOYSA-N 1 0 379.464 4.128 20 0 GIADRO CC(C)c1nn(C)c2sc(C(=O)N(CC[NH+](C)C)Cc3ccsc3)cc12 ZINC000458200146 822967888 /nfs/dbraw/zinc/96/78/88/822967888.db2.gz KQTHPXDYICAHSQ-UHFFFAOYSA-N 1 0 390.578 4.024 20 0 GIADRO Fc1cccc(-c2noc([C@@H]3CCC[N@H+](Cc4cc5cccnc5o4)C3)n2)c1 ZINC000569779907 822967890 /nfs/dbraw/zinc/96/78/90/822967890.db2.gz QIWSNGFWQOTXEQ-MRXNPFEDSA-N 1 0 378.407 4.397 20 0 GIADRO C[C@H]([C@@H](C)c1ccc(Cl)cc1)[N@H+](C)Cc1csc(CC(=O)N(C)C)n1 ZINC000175436157 822968599 /nfs/dbraw/zinc/96/85/99/822968599.db2.gz MLNLZYGSDBUQEJ-ZIAGYGMSSA-N 1 0 379.957 4.051 20 0 GIADRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(NC(=O)Nc2ccccc2)s1 ZINC000175436224 822968671 /nfs/dbraw/zinc/96/86/71/822968671.db2.gz QPKWLFXFIQWHEX-DLBZAZTESA-N 1 0 398.532 4.091 20 0 GIADRO CC(C)[C@@]1(CO)CCC[N@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000569788308 822969280 /nfs/dbraw/zinc/96/92/80/822969280.db2.gz SKCCBOKHPSRFEY-QHCPKHFHSA-N 1 0 382.552 4.291 20 0 GIADRO Cc1cc(C(C)(C)C)cc2c1OCCC[C@H]2[NH2+]CCCCCS(C)(=O)=O ZINC000186869956 822971638 /nfs/dbraw/zinc/97/16/38/822971638.db2.gz OQZIUIWBMSBKIR-LJQANCHMSA-N 1 0 381.582 4.311 20 0 GIADRO Cc1ccc(NC(=O)[C@H](C)c2cn(C)c3ccccc23)c(OCC[NH+](C)C)c1 ZINC000186880003 822973576 /nfs/dbraw/zinc/97/35/76/822973576.db2.gz JOSYKJFXAWKJQO-QGZVFWFLSA-N 1 0 379.504 4.169 20 0 GIADRO CC(=O)N1CCC[C@H](C[NH2+][C@H]2CCCCc3cc(Br)ccc32)C1 ZINC000569829833 822973726 /nfs/dbraw/zinc/97/37/26/822973726.db2.gz PHYHSQSMSACTAL-BEFAXECRSA-N 1 0 379.342 4.065 20 0 GIADRO COc1cc(Cl)c(Cl)cc1C(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000175469449 822976692 /nfs/dbraw/zinc/97/66/92/822976692.db2.gz NGMWMCOYMDYNPI-UHFFFAOYSA-N 1 0 397.302 4.332 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)C[C@@H](c2ccccc2)C(F)(F)F)cc1F ZINC000458281006 822977637 /nfs/dbraw/zinc/97/76/37/822977637.db2.gz GXXLNPLEYVIYOZ-INIZCTEOSA-N 1 0 398.400 4.441 20 0 GIADRO COC(=O)Cc1cccc(C(=O)Nc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)c1 ZINC000186909966 822978413 /nfs/dbraw/zinc/97/84/13/822978413.db2.gz JTTQEEGATJSQSS-QGZVFWFLSA-N 1 0 380.488 4.029 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)Nc2cccc(N3CCOC3=O)c2C)cc1)C(C)C ZINC000175477318 822978429 /nfs/dbraw/zinc/97/84/29/822978429.db2.gz RVLCFVPQSRSJFE-UHFFFAOYSA-N 1 0 395.503 4.434 20 0 GIADRO COc1cc(C(C)=O)ccc1OCCCC(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000458289496 822979133 /nfs/dbraw/zinc/97/91/33/822979133.db2.gz RCZGUIXNLNDDIY-UHFFFAOYSA-N 1 0 398.503 4.066 20 0 GIADRO O=C(Nc1ccc(OC2CCC2)c(F)c1)NC1CC[NH+](C2CCCC2)CC1 ZINC000175482244 822979527 /nfs/dbraw/zinc/97/95/27/822979527.db2.gz PUCFXKRKGIHZHZ-UHFFFAOYSA-N 1 0 375.488 4.286 20 0 GIADRO Cc1cc(NC(=O)c2ccc(C(=O)NCC(C)(C)C)cc2)ccc1C[NH+](C)C ZINC000458295422 822979860 /nfs/dbraw/zinc/97/98/60/822979860.db2.gz WMDRMRFULKAUQC-UHFFFAOYSA-N 1 0 381.520 4.085 20 0 GIADRO O=C(Nc1ccc(OCc2ccccc2Cl)cc1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000175486850 822981006 /nfs/dbraw/zinc/98/10/06/822981006.db2.gz MXXPWXWJTLNUQT-LJQANCHMSA-N 1 0 397.906 4.397 20 0 GIADRO COc1ccc(C[C@H](C)C[NH2+][C@H](c2nccn2C)c2cccc(F)c2)cc1F ZINC000186944400 822984297 /nfs/dbraw/zinc/98/42/97/822984297.db2.gz XHFVICQJDIZQKE-BTYIYWSLSA-N 1 0 385.458 4.265 20 0 GIADRO COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000569909108 822984581 /nfs/dbraw/zinc/98/45/81/822984581.db2.gz NVQJWIMZSHXGTP-WBVHZDCISA-N 1 0 399.466 4.151 20 0 GIADRO Cc1cc(C)cc([C@H](C)NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000458341040 822985039 /nfs/dbraw/zinc/98/50/39/822985039.db2.gz CRZFLRDJDFXACN-INIZCTEOSA-N 1 0 385.474 4.423 20 0 GIADRO C[C@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1ncc(Br)cc1F ZINC000186949586 822985099 /nfs/dbraw/zinc/98/50/99/822985099.db2.gz IJZGEAHGHZCXGQ-AWEZNQCLSA-N 1 0 392.316 4.430 20 0 GIADRO CC(=O)N(c1nc(CN(C)CC2([NH+](C)C)CCC2)cs1)c1ccc(C)cc1 ZINC000186948914 822985105 /nfs/dbraw/zinc/98/51/05/822985105.db2.gz DSEVJVVMVGXOQM-UHFFFAOYSA-N 1 0 386.565 4.052 20 0 GIADRO O=C(Nc1ccccc1)C1CC[NH+](Cc2ccccc2OCC(F)(F)F)CC1 ZINC000175503088 822985113 /nfs/dbraw/zinc/98/51/13/822985113.db2.gz XEYVXXSGZHHHAC-UHFFFAOYSA-N 1 0 392.421 4.478 20 0 GIADRO Fc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)cc1 ZINC000186952678 822985956 /nfs/dbraw/zinc/98/59/56/822985956.db2.gz MOGWAWYZWRTTFU-VSKRKVRLSA-N 1 0 377.463 4.336 20 0 GIADRO Cc1ccc(Oc2ccc(NC(=O)NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)cn2)cc1C ZINC000569921905 822985999 /nfs/dbraw/zinc/98/59/99/822985999.db2.gz MMPKCLVFKXGFHB-YQQQUEKLSA-N 1 0 380.492 4.237 20 0 GIADRO C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N(C)CC1([NH+](C)C)CCC1 ZINC000186955688 822986441 /nfs/dbraw/zinc/98/64/41/822986441.db2.gz BYXUBKMRAKTYTN-ZDUSSCGKSA-N 1 0 382.430 4.233 20 0 GIADRO Cc1ccc(C2CC[NH+]([C@H](C)C(=O)N(Cc3ccccc3)C(C)C)CC2)cn1 ZINC000569959079 822989954 /nfs/dbraw/zinc/98/99/54/822989954.db2.gz RFJXZIWCUZCCDP-HXUWFJFHSA-N 1 0 379.548 4.395 20 0 GIADRO COCCOCc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000569968797 822990950 /nfs/dbraw/zinc/99/09/50/822990950.db2.gz LZDZQQTVSOFOEL-NRFANRHFSA-N 1 0 385.504 4.204 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1cccc(C(C)(F)F)c1 ZINC000186976900 822990987 /nfs/dbraw/zinc/99/09/87/822990987.db2.gz WOWAIAKFHVUDEU-KXBFYZLASA-N 1 0 388.462 4.225 20 0 GIADRO CCOC(=O)[C@@]1(CCS[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCCC1=O ZINC000569971043 822991501 /nfs/dbraw/zinc/99/15/01/822991501.db2.gz CHYKBMCYPBJIRF-DENIHFKCSA-N 1 0 389.561 4.077 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NC[C@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000569982687 822993371 /nfs/dbraw/zinc/99/33/71/822993371.db2.gz QTOBUWHQGKJLFR-RLLPEYFOSA-N 1 0 393.531 4.041 20 0 GIADRO CO[C@H](C)c1nc(C[NH2+][C@@H]2CCc3cccc(Br)c3C2)cs1 ZINC000569990901 822994221 /nfs/dbraw/zinc/99/42/21/822994221.db2.gz JJFPPOAKFGTVFZ-DGCLKSJQSA-N 1 0 381.339 4.260 20 0 GIADRO Cc1cccn2cc(COc3ccc(C[N@@H+]4CC[C@@H](O)C45CCCC5)cc3)nc12 ZINC000569994885 822994396 /nfs/dbraw/zinc/99/43/96/822994396.db2.gz UVVMMXBZJMGTGY-JOCHJYFZSA-N 1 0 391.515 4.101 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000175545501 822994775 /nfs/dbraw/zinc/99/47/75/822994775.db2.gz XVTIICIKCWAPCZ-ZCYQVOJMSA-N 1 0 392.518 4.201 20 0 GIADRO CC[NH+](CC)CC(=O)Nc1cccc(NCc2csc(Br)c2)c1 ZINC000570004081 822995471 /nfs/dbraw/zinc/99/54/71/822995471.db2.gz RFTKAEFSVPVMET-UHFFFAOYSA-N 1 0 396.354 4.403 20 0 GIADRO COc1ccc(C[N@H+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C(C)(C)C)cc1 ZINC000570005817 822995526 /nfs/dbraw/zinc/99/55/26/822995526.db2.gz XFKUJRPUHIEHNE-MRXNPFEDSA-N 1 0 386.458 4.097 20 0 GIADRO CC(F)(F)c1cccc(NC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000187005470 822996001 /nfs/dbraw/zinc/99/60/01/822996001.db2.gz ZVCNSAGLUNECHF-GOSISDBHSA-N 1 0 387.474 4.484 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)CCc1nc2c(cccc2C)[nH]1 ZINC000175562868 822998313 /nfs/dbraw/zinc/99/83/13/822998313.db2.gz OQLGGQIUAQGUIO-UHFFFAOYSA-N 1 0 394.519 4.163 20 0 GIADRO CCSc1cc(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)ccn1 ZINC000187019906 822998635 /nfs/dbraw/zinc/99/86/35/822998635.db2.gz ICUWMZZIDUZQRL-XLIONFOSSA-N 1 0 398.576 4.046 20 0 GIADRO Cc1nc(-c2cccc(NC(=O)N[C@@H]3CC[N@H+](CC4CCCC4)C3)c2)oc1C ZINC000175569908 822999553 /nfs/dbraw/zinc/99/95/53/822999553.db2.gz ZLCYHCNCCNQQLL-HXUWFJFHSA-N 1 0 382.508 4.344 20 0 GIADRO CC(C)[C@@H]([NH2+]C1CCN(CCC(F)(F)F)CC1)c1ccc2c(c1)OCCO2 ZINC000570042807 823000329 /nfs/dbraw/zinc/00/03/29/823000329.db2.gz MUIOAELONVYXLM-LJQANCHMSA-N 1 0 386.458 4.161 20 0 GIADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cc2cccc(Cl)c2s1 ZINC000570046305 823000481 /nfs/dbraw/zinc/00/04/81/823000481.db2.gz DOXKSXMPRFOXAO-SJORKVTESA-N 1 0 392.952 4.052 20 0 GIADRO Cc1ccc(NC(=O)CN[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c(Cl)c1 ZINC000570046371 823000485 /nfs/dbraw/zinc/00/04/85/823000485.db2.gz XSKRSZWAWYSKDP-LJQANCHMSA-N 1 0 397.950 4.374 20 0 GIADRO CS(=O)(=O)CC1CCC([NH2+]Cc2ccc(OC3CCCCC3)cc2)CC1 ZINC000570054143 823001490 /nfs/dbraw/zinc/00/14/90/823001490.db2.gz XBMBJSNOULMHMC-UHFFFAOYSA-N 1 0 379.566 4.091 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1c1cccc(C(=O)OC(C)(C)C)n1 ZINC000570062317 823001821 /nfs/dbraw/zinc/00/18/21/823001821.db2.gz WCQSUWAFYMZAGY-SFHVURJKSA-N 1 0 381.520 4.138 20 0 GIADRO Cc1ccc(C[NH+]2CCC(c3noc(C(C)C)n3)CC2)c(-c2ccnn2C)c1 ZINC000570063866 823002185 /nfs/dbraw/zinc/00/21/85/823002185.db2.gz NFQCFZLPTXHIRG-UHFFFAOYSA-N 1 0 379.508 4.282 20 0 GIADRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)Cc1coc2ccccc12 ZINC000570067444 823002651 /nfs/dbraw/zinc/00/26/51/823002651.db2.gz SOTKRYZTWFSCAR-ROUUACIJSA-N 1 0 376.500 4.248 20 0 GIADRO CCC(CC)c1cc(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)on1 ZINC000175587374 823002818 /nfs/dbraw/zinc/00/28/18/823002818.db2.gz IKDSQVCMEVLEDU-XLIONFOSSA-N 1 0 398.551 4.431 20 0 GIADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N[C@@H]1CCc2ccc(-c3ccccc3)cc21 ZINC000187048986 823003646 /nfs/dbraw/zinc/00/36/46/823003646.db2.gz VAGZCXSWILAXTG-GAJHUEQPSA-N 1 0 375.516 4.124 20 0 GIADRO CCO[C@H]1C[C@@H]([NH2+]Cc2nnc(-c3ccc(Br)o3)o2)C1(CC)CC ZINC000187053373 823004153 /nfs/dbraw/zinc/00/41/53/823004153.db2.gz KXNLZVPASURATN-OLZOCXBDSA-N 1 0 398.301 4.166 20 0 GIADRO CC[C@H](NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000175597106 823004253 /nfs/dbraw/zinc/00/42/53/823004253.db2.gz MTIBNWIPWFGZDL-QHCPKHFHSA-N 1 0 395.547 4.452 20 0 GIADRO COc1ccc(OCCC[NH2+][C@@H](C)c2ncc(Br)cc2F)cc1 ZINC000187056277 823004731 /nfs/dbraw/zinc/00/47/31/823004731.db2.gz ONPYWEXNCKHQKT-LBPRGKRZSA-N 1 0 383.261 4.112 20 0 GIADRO CCc1cnc(CN(C)C(=O)Nc2ccccc2OCC[NH+](CC)CC)s1 ZINC000175602280 823004936 /nfs/dbraw/zinc/00/49/36/823004936.db2.gz ROIKTSBVAMUUPY-UHFFFAOYSA-N 1 0 390.553 4.090 20 0 GIADRO CC[C@H](C(=O)N1CC(c2nc3ccccc3s2)C1)[N@H+](C)Cc1ccccc1 ZINC000570092057 823005141 /nfs/dbraw/zinc/00/51/41/823005141.db2.gz DDBWBGLUDHZGBX-LJQANCHMSA-N 1 0 379.529 4.133 20 0 GIADRO O=C([C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC(OCC2CCCC2)CC1 ZINC000175608901 823006018 /nfs/dbraw/zinc/00/60/18/823006018.db2.gz VHRRUEZKJIUULA-QFIPXVFZSA-N 1 0 384.564 4.096 20 0 GIADRO CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+][C@@H]2CCCc3c4ccccc4sc32)cn1 ZINC000570109824 823006403 /nfs/dbraw/zinc/00/64/03/823006403.db2.gz QGIJVEDMZZCXMV-OPYAIIAOSA-N 1 0 394.544 4.105 20 0 GIADRO COc1ccc(-n2c(C[N@@H+]3CCC[C@@H]3[C@H]3CCCO3)nc3ccccc32)cc1 ZINC000570112536 823006763 /nfs/dbraw/zinc/00/67/63/823006763.db2.gz PUEXKLVQCMPERU-FGZHOGPDSA-N 1 0 377.488 4.178 20 0 GIADRO Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000570118743 823007419 /nfs/dbraw/zinc/00/74/19/823007419.db2.gz OPUNGCQWSJMSAT-QFBILLFUSA-N 1 0 387.886 4.071 20 0 GIADRO CC[C@H](NC(=O)c1ccccc1)c1noc(-c2cccc(C[NH+]3CCCC3)c2)n1 ZINC000570126503 823008079 /nfs/dbraw/zinc/00/80/79/823008079.db2.gz FWIAHPINOIZEKV-FQEVSTJZSA-N 1 0 390.487 4.214 20 0 GIADRO COc1cc(Br)c(C[NH2+][C@H](C)CCOCc2ccccc2)cc1O ZINC000570128651 823008455 /nfs/dbraw/zinc/00/84/55/823008455.db2.gz NMVUUCAFKDLVOT-CQSZACIVSA-N 1 0 394.309 4.248 20 0 GIADRO C[C@@H]([NH2+]C[C@H](C)N1CCc2sccc2C1)c1ncc(Br)cc1F ZINC000187086335 823008823 /nfs/dbraw/zinc/00/88/23/823008823.db2.gz HACPWDFRVYDPHO-NWDGAFQWSA-N 1 0 398.345 4.142 20 0 GIADRO Cc1cc(C[NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)cc(N2CCCC2)n1 ZINC000570131671 823008881 /nfs/dbraw/zinc/00/88/81/823008881.db2.gz QDFGVQQLVMBUCZ-JOCHJYFZSA-N 1 0 387.531 4.343 20 0 GIADRO C[C@H](C[NH2+][C@H](C)c1ncc(Br)cc1F)N1CCc2ccccc2C1 ZINC000187086117 823008879 /nfs/dbraw/zinc/00/88/79/823008879.db2.gz KFEHYPDINOBONT-ZIAGYGMSSA-N 1 0 392.316 4.081 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH2+]CCc1ccc(OC)c(OC)c1 ZINC000187088051 823008982 /nfs/dbraw/zinc/00/89/82/823008982.db2.gz ULIVHCKTCJTAKT-UHFFFAOYSA-N 1 0 378.472 4.107 20 0 GIADRO C[C@H]([NH2+][C@@H](c1ccccc1)c1cccc(Cl)c1)C1CCS(=O)(=O)CC1 ZINC000187108502 823011542 /nfs/dbraw/zinc/01/15/42/823011542.db2.gz VGCQJIHWHYABHN-YWZLYKJASA-N 1 0 377.937 4.232 20 0 GIADRO CCCC(=O)Nc1cccc(NC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)c1C ZINC000175643410 823011813 /nfs/dbraw/zinc/01/18/13/823011813.db2.gz MDYTZZKGKFWPJV-SFHVURJKSA-N 1 0 386.540 4.120 20 0 GIADRO CCc1ccc(C[C@H](Cc2ccc(Cl)cc2)[NH2+]CCc2ncc(C)cn2)nc1 ZINC000570197277 823014375 /nfs/dbraw/zinc/01/43/75/823014375.db2.gz YMRUKTOOUFKZJR-QFIPXVFZSA-N 1 0 394.950 4.382 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N(C)Cc1cc2ccccc2o1 ZINC000175658595 823014389 /nfs/dbraw/zinc/01/43/89/823014389.db2.gz RFBVLEYJJNHNOH-UHFFFAOYSA-N 1 0 392.503 4.157 20 0 GIADRO C[C@@H]([NH2+]CC1(c2ccc(Cl)cc2)CCCCC1)C1CCS(=O)(=O)CC1 ZINC000187130173 823015234 /nfs/dbraw/zinc/01/52/34/823015234.db2.gz UETKKPCQVRAWOP-MRXNPFEDSA-N 1 0 383.985 4.345 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)N(C)Cc2cc3ccccc3o2)CC1 ZINC000175663441 823015419 /nfs/dbraw/zinc/01/54/19/823015419.db2.gz UJBGHQJVHVLIJU-UHFFFAOYSA-N 1 0 392.503 4.239 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2occc2Br)C1 ZINC000175668651 823016700 /nfs/dbraw/zinc/01/67/00/823016700.db2.gz NOKWFYHWBSMWJO-CQSZACIVSA-N 1 0 391.309 4.204 20 0 GIADRO COCc1ccccc1/C=C(/C)C[N@H+](Cc1ccc(C(N)=O)cc1F)C1CC1 ZINC000570233244 823017299 /nfs/dbraw/zinc/01/72/99/823017299.db2.gz RJMMPHQKSZYPRR-WJDWOHSUSA-N 1 0 382.479 4.139 20 0 GIADRO C[N@H+](Cc1csc(CNC(=O)c2ccccc2)n1)[C@H]1CCc2ccccc2C1 ZINC000175674327 823017765 /nfs/dbraw/zinc/01/77/65/823017765.db2.gz WPZASJSJFDSZQA-NRFANRHFSA-N 1 0 391.540 4.062 20 0 GIADRO O=C(NC1CC[NH+](Cc2cccnc2)CC1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000175676808 823018033 /nfs/dbraw/zinc/01/80/33/823018033.db2.gz PYGSEKKXHRSVAP-UHFFFAOYSA-N 1 0 397.950 4.328 20 0 GIADRO CCOc1ccc(NC(=O)NCCC2CC[NH+](CC)CC2)c(C(F)(F)F)c1 ZINC000175679225 823018687 /nfs/dbraw/zinc/01/86/87/823018687.db2.gz JECKQZKWVGVARV-UHFFFAOYSA-N 1 0 387.446 4.348 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH2+]Cc1ccc(-n2ccnc2)c(F)c1 ZINC000187162211 823019278 /nfs/dbraw/zinc/01/92/78/823019278.db2.gz YCSBNTBAAFEYAU-UHFFFAOYSA-N 1 0 388.446 4.372 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)Nc1cc(C2CC2)ccn1 ZINC000570252290 823019572 /nfs/dbraw/zinc/01/95/72/823019572.db2.gz ZVEYLTDVJCIEAY-UHFFFAOYSA-N 1 0 379.508 4.124 20 0 GIADRO C[C@H]1C[C@@H](NC(=O)CCc2ncc(C(C)(C)C)o2)CC[N@@H+]1Cc1ccccc1 ZINC000187171381 823020377 /nfs/dbraw/zinc/02/03/77/823020377.db2.gz BIBPJUBNRFJLJD-HKUYNNGSSA-N 1 0 383.536 4.074 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)CCc2ncc(C(C)(C)C)o2)CC[N@@H+]1Cc1ccccc1 ZINC000187171321 823020391 /nfs/dbraw/zinc/02/03/91/823020391.db2.gz BIBPJUBNRFJLJD-IEBWSBKVSA-N 1 0 383.536 4.074 20 0 GIADRO Cc1cc(NC(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)ccc1OCC(F)(F)F ZINC000570262407 823020547 /nfs/dbraw/zinc/02/05/47/823020547.db2.gz QZKAFJVUDDCOPM-DOTOQJQBSA-N 1 0 399.457 4.322 20 0 GIADRO C[C@@H](NC(=O)c1cc(F)c(F)cc1Br)[C@H](c1ccccc1)[NH+](C)C ZINC000187177353 823021101 /nfs/dbraw/zinc/02/11/01/823021101.db2.gz ICCYGATZQIEXPD-PIGZYNQJSA-N 1 0 397.263 4.149 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH2+]Cc1ccc(OCC2CC2)nc1 ZINC000187176402 823021134 /nfs/dbraw/zinc/02/11/34/823021134.db2.gz QCCSRARVTSQNDN-UHFFFAOYSA-N 1 0 375.472 4.231 20 0 GIADRO O[C@@H](Cc1ccc(C(F)(F)F)cc1)C[NH+]1CCC(OC2CCCCC2)CC1 ZINC000570273430 823021683 /nfs/dbraw/zinc/02/16/83/823021683.db2.gz VXNMSAXGRKYJSN-SFHVURJKSA-N 1 0 385.470 4.423 20 0 GIADRO CCCc1c(NC(=O)CC[C@@H]([NH3+])c2ccccc2)cnn1-c1cccc(F)c1 ZINC000570278164 823021951 /nfs/dbraw/zinc/02/19/51/823021951.db2.gz OXUCQWWPLFUBKV-LJQANCHMSA-N 1 0 380.467 4.383 20 0 GIADRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1(C)C ZINC000187189352 823022720 /nfs/dbraw/zinc/02/27/20/823022720.db2.gz SVWAUCSXHOBWNE-IUODEOHRSA-N 1 0 398.347 4.195 20 0 GIADRO Cc1ccc(C(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)c(Br)c1 ZINC000187190152 823022828 /nfs/dbraw/zinc/02/28/28/823022828.db2.gz PWEDFRYJMFTQFF-RDTXWAMCSA-N 1 0 375.310 4.179 20 0 GIADRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)N(c2ccccc2)c2ccccc2)CC1 ZINC000570293920 823023133 /nfs/dbraw/zinc/02/31/33/823023133.db2.gz PJPBAITVRYDWFG-IBGZPJMESA-N 1 0 379.504 4.130 20 0 GIADRO Cc1nc(-c2c[nH]c(C(=O)N(Cc3ccccc3)C3CC[NH+](C)CC3)c2)cs1 ZINC000175701293 823023376 /nfs/dbraw/zinc/02/33/76/823023376.db2.gz IEKRJUZGRCXJJF-UHFFFAOYSA-N 1 0 394.544 4.183 20 0 GIADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CCc1c[nH]c2cccc(C)c12 ZINC000187197966 823023799 /nfs/dbraw/zinc/02/37/99/823023799.db2.gz OGRQSJGIHPWZAP-UHFFFAOYSA-N 1 0 390.936 4.256 20 0 GIADRO Cc1nc(-c2ccc(C[NH2+]C[C@H](O)COc3c(C)cccc3C)cc2)cs1 ZINC000570302186 823023876 /nfs/dbraw/zinc/02/38/76/823023876.db2.gz UYODTXZPTMDSRK-FQEVSTJZSA-N 1 0 382.529 4.265 20 0 GIADRO C/C=C\c1ccc(OC[C@H](O)C[NH2+]Cc2cc3ccccc3s2)c(OC)c1 ZINC000570303404 823023976 /nfs/dbraw/zinc/02/39/76/823023976.db2.gz WILHNJKEKLMKEC-VDNIUXDYSA-N 1 0 383.513 4.473 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1)C1CCSCC1 ZINC000187204507 823024605 /nfs/dbraw/zinc/02/46/05/823024605.db2.gz WTFJLKILAMQSRT-MRXNPFEDSA-N 1 0 384.549 4.025 20 0 GIADRO C[NH+]1CCN(C[C@@H](NC(=O)c2ccc(C3CCCC3)cc2)c2ccccc2)CC1 ZINC000570313911 823024768 /nfs/dbraw/zinc/02/47/68/823024768.db2.gz PWQCSAUROLDOEU-XMMPIXPASA-N 1 0 391.559 4.063 20 0 GIADRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@H](C)c3ccc(SCC(F)F)cc3)[C@@H]2C1 ZINC000570314774 823025003 /nfs/dbraw/zinc/02/50/03/823025003.db2.gz HUTSCYULZKNNEU-HQJJXPTPSA-N 1 0 382.520 4.341 20 0 GIADRO Cc1ccsc1[C@H](Cc1ccccc1)[NH2+][C@H](C)C1CCS(=O)(=O)CC1 ZINC000187226282 823027498 /nfs/dbraw/zinc/02/74/98/823027498.db2.gz MTAWTMGAFLTAES-APWZRJJASA-N 1 0 377.575 4.143 20 0 GIADRO C[C@H](NC(=O)CCCc1ncc(-c2ccccc2)o1)[C@@H](c1ccccc1)[NH+](C)C ZINC000187228084 823027801 /nfs/dbraw/zinc/02/78/01/823027801.db2.gz QANLGNHWJRGSME-UUOWRZLLSA-N 1 0 391.515 4.472 20 0 GIADRO Cc1nc(CCC(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)oc1-c1ccccc1 ZINC000187229601 823027929 /nfs/dbraw/zinc/02/79/29/823027929.db2.gz TWZTUSOIWPMGQC-UZUQRXQVSA-N 1 0 391.515 4.390 20 0 GIADRO Cc1nc(CCC(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)oc1-c1ccccc1 ZINC000187229583 823028026 /nfs/dbraw/zinc/02/80/26/823028026.db2.gz TWZTUSOIWPMGQC-GAJHUEQPSA-N 1 0 391.515 4.390 20 0 GIADRO C[C@@H](Oc1ccccc1NC(=O)NCCC[NH+]1CCC(C)CC1)C(F)(F)F ZINC000570361970 823029047 /nfs/dbraw/zinc/02/90/47/823029047.db2.gz LHIGGVZWLRRVSF-OAHLLOKOSA-N 1 0 387.446 4.260 20 0 GIADRO C[C@@H](NC(=O)c1cccc(OCc2cccnc2)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000187239695 823029208 /nfs/dbraw/zinc/02/92/08/823029208.db2.gz IBTUONHRISLPGQ-WZONZLPQSA-N 1 0 389.499 4.082 20 0 GIADRO CCOc1cc(C[NH2+]Cc2cc(-c3ccncc3)ccc2OC)ccc1OC ZINC000187240613 823029297 /nfs/dbraw/zinc/02/92/97/823029297.db2.gz GFZSZRUWJONMFA-UHFFFAOYSA-N 1 0 378.472 4.454 20 0 GIADRO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1CC1=Cc2cc(Br)ccc2OC1 ZINC000570365683 823029601 /nfs/dbraw/zinc/02/96/01/823029601.db2.gz PHGBOIISECXICV-KRWDZBQOSA-N 1 0 388.309 4.402 20 0 GIADRO CCO[C@H]1C[C@]([NH3+])(C(=O)Nc2nc(-c3ccc(SC)cc3)cs2)C1(C)C ZINC000187248679 823030267 /nfs/dbraw/zinc/03/02/67/823030267.db2.gz DTIJLXCGWUGUTC-KXBFYZLASA-N 1 0 391.562 4.003 20 0 GIADRO COc1c(Br)cccc1C[NH2+]CCCc1nc2ccccc2n1C ZINC000187252503 823030866 /nfs/dbraw/zinc/03/08/66/823030866.db2.gz GXLVFCHABGOOLR-UHFFFAOYSA-N 1 0 388.309 4.067 20 0 GIADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CC1(c2cccc(F)c2)CC1 ZINC000187257139 823031581 /nfs/dbraw/zinc/03/15/81/823031581.db2.gz DTTTXUHAWLRYAQ-UHFFFAOYSA-N 1 0 381.900 4.094 20 0 GIADRO C[C@H](NC(=O)c1cccc(-c2noc(C3CC3)n2)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000187258564 823031834 /nfs/dbraw/zinc/03/18/34/823031834.db2.gz JHRLQRJALQAORV-YWZLYKJASA-N 1 0 390.487 4.035 20 0 GIADRO C[C@@H]([NH2+][C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)C1CCSCC1 ZINC000187261744 823032357 /nfs/dbraw/zinc/03/23/57/823032357.db2.gz MPDXFMYUBMRDGO-IERDGZPVSA-N 1 0 389.586 4.301 20 0 GIADRO CC[C@H](C)C(=O)Nc1cccc(C[NH2+]CCC(=O)Nc2cccc(F)c2C)c1 ZINC000570389057 823032361 /nfs/dbraw/zinc/03/23/61/823032361.db2.gz LOAUWKDZBZIOAY-HNNXBMFYSA-N 1 0 385.483 4.237 20 0 GIADRO O=C(Nc1ccc2cc[nH]c(=O)c2c1)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000570391045 823032482 /nfs/dbraw/zinc/03/24/82/823032482.db2.gz RVRMJNTZXQCSNR-NTKDMRAZSA-N 1 0 387.483 4.181 20 0 GIADRO CCO[C@@H]1CCN(C(=O)NCC(CC)(CC)[NH2+][C@@H](C)c2ccccc2)C[C@@H]1C ZINC000458374724 823033834 /nfs/dbraw/zinc/03/38/34/823033834.db2.gz OXAZYHPTKSNINY-IRFCIJBXSA-N 1 0 389.584 4.353 20 0 GIADRO CC[NH+](CC)CC1CCN(C(=O)Nc2cn(C)nc2C2CCCCC2)CC1 ZINC000570408472 823034201 /nfs/dbraw/zinc/03/42/01/823034201.db2.gz QWXJXRZRLMTEFK-UHFFFAOYSA-N 1 0 375.561 4.054 20 0 GIADRO CCC(CC)(CNC(=O)NC[C@H]1CC12CCOCC2)[NH2+][C@@H](C)c1ccccc1 ZINC000458379125 823034567 /nfs/dbraw/zinc/03/45/67/823034567.db2.gz SOGIRVLWSZQCEW-AZUAARDMSA-N 1 0 387.568 4.012 20 0 GIADRO COCCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2c2cccc(Cl)c2)cc1 ZINC000570414035 823034564 /nfs/dbraw/zinc/03/45/64/823034564.db2.gz MNKDNLHJXYSJEY-RBBKRZOGSA-N 1 0 389.923 4.106 20 0 GIADRO C[C@@H]([NH2+]C(C)(C)CNC(=O)N[C@@H](C)c1nc2c(s1)CCC2)c1ccccc1 ZINC000458382999 823034713 /nfs/dbraw/zinc/03/47/13/823034713.db2.gz YRKRIQQJXWKGLL-CABCVRRESA-N 1 0 386.565 4.121 20 0 GIADRO Cc1csc(C2([NH2+]C[C@H](O)c3ccc(F)c(Br)c3)CCCC2)n1 ZINC000187274677 823035129 /nfs/dbraw/zinc/03/51/29/823035129.db2.gz QZJFLLLCMRRINN-HNNXBMFYSA-N 1 0 399.329 4.446 20 0 GIADRO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)N1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000458388778 823035513 /nfs/dbraw/zinc/03/55/13/823035513.db2.gz GRARXMZRNVDCNE-GUTXKFCHSA-N 1 0 389.437 4.148 20 0 GIADRO COc1cc(CNCC[NH+]2[C@H](C)CCC[C@H]2C)ccc1OCc1ccncc1 ZINC000570419794 823035581 /nfs/dbraw/zinc/03/55/81/823035581.db2.gz WXQMQGZVNHIJAG-RTBURBONSA-N 1 0 383.536 4.022 20 0 GIADRO CC(C)[NH+]1CCC(NC(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)CC1 ZINC000187277144 823035644 /nfs/dbraw/zinc/03/56/44/823035644.db2.gz PHGYYWXUGAGMNE-UHFFFAOYSA-N 1 0 396.409 4.448 20 0 GIADRO O=C(COc1ccc(Cl)cc1)NC1CCC([NH2+][C@@H]2CCCC[C@H]2F)CC1 ZINC000570421634 823035734 /nfs/dbraw/zinc/03/57/34/823035734.db2.gz UEXAIQXQMSTBBI-LRMJVLKBSA-N 1 0 382.907 4.017 20 0 GIADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccccc1SCc1cscn1 ZINC000570432987 823037608 /nfs/dbraw/zinc/03/76/08/823037608.db2.gz OXWRHQWEERTBLF-WBVHZDCISA-N 1 0 387.574 4.134 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH2+][C@H]1CCN(c2ccccc2OC)C1 ZINC000187293922 823038161 /nfs/dbraw/zinc/03/81/61/823038161.db2.gz GZEZZNGNWALILO-NRFANRHFSA-N 1 0 389.499 4.134 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCc3ccc(F)c(F)c32)[C@H]1c1cccs1 ZINC000458417124 823038304 /nfs/dbraw/zinc/03/83/04/823038304.db2.gz FMSMVSRNIOEPED-KSSFIOAISA-N 1 0 391.487 4.182 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)NCC2(c3ccccc3C)CCOCC2)cc1 ZINC000055761171 823038812 /nfs/dbraw/zinc/03/88/12/823038812.db2.gz SUONSWXCBRIHTJ-UHFFFAOYSA-N 1 0 394.559 4.315 20 0 GIADRO COc1c(Br)cccc1C[NH2+]C[C@H](C[C@@H](C)O)c1ccccc1 ZINC000187297091 823038917 /nfs/dbraw/zinc/03/89/17/823038917.db2.gz XRUDPZJBLWXDHY-PBHICJAKSA-N 1 0 378.310 4.102 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH2+]C[C@@H](C[C@H](C)O)c1ccccc1 ZINC000187297033 823038935 /nfs/dbraw/zinc/03/89/35/823038935.db2.gz JJSGYFSALOMAMS-PGRDOPGGSA-N 1 0 376.500 4.402 20 0 GIADRO C[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3F)nc2)C[C@@H]1n1ccnc1 ZINC000187298992 823039211 /nfs/dbraw/zinc/03/92/11/823039211.db2.gz JBQJMAQIDHFOJM-UTKZUKDTSA-N 1 0 380.467 4.079 20 0 GIADRO C[C@@H]([NH2+][C@@H](c1cccc(F)c1)c1cccc(Cl)c1)C1CCS(=O)(=O)CC1 ZINC000187301676 823039651 /nfs/dbraw/zinc/03/96/51/823039651.db2.gz MTDBRBXHPQADSA-JLTOFOAXSA-N 1 0 395.927 4.371 20 0 GIADRO Cc1cccc2nc(C3CCN(C(=O)NC4CC[NH+](CC(C)C)CC4)CC3)oc21 ZINC000187303871 823040122 /nfs/dbraw/zinc/04/01/22/823040122.db2.gz CBNSFUDLYIEIFX-UHFFFAOYSA-N 1 0 398.551 4.146 20 0 GIADRO Cc1cc(N2CCSCC2)ccc1NC(=O)NCCC[NH+](C(C)C)C(C)C ZINC000175792708 823041205 /nfs/dbraw/zinc/04/12/05/823041205.db2.gz CYRYZFGBUUXXEE-UHFFFAOYSA-N 1 0 392.613 4.179 20 0 GIADRO CN(Cc1c(F)cccc1F)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000458446020 823041361 /nfs/dbraw/zinc/04/13/61/823041361.db2.gz ZGOSRZHZPDDMCL-IFXJQAMLSA-N 1 0 393.503 4.251 20 0 GIADRO CN(C(=O)N[C@H]1C[C@H]1C1CCCCC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458453147 823042350 /nfs/dbraw/zinc/04/23/50/823042350.db2.gz YAFQROLUJKSRPU-IRXDYDNUSA-N 1 0 375.479 4.013 20 0 GIADRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1c(F)cccc1Br ZINC000175796602 823042423 /nfs/dbraw/zinc/04/24/23/823042423.db2.gz VVFMLVFOIGORAP-QGZVFWFLSA-N 1 0 391.284 4.155 20 0 GIADRO Cc1cccc(Oc2cc(CNC(=O)NC(C)(C)CCC[NH+](C)C)ccn2)c1C ZINC000458461553 823043428 /nfs/dbraw/zinc/04/34/28/823043428.db2.gz GEWDNJDGHXSXAY-UHFFFAOYSA-N 1 0 398.551 4.410 20 0 GIADRO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2ccc(N3CCc4sccc4C3)cc2)C1 ZINC000175803343 823044224 /nfs/dbraw/zinc/04/42/24/823044224.db2.gz BGFPTGVSLVTSKU-FQEVSTJZSA-N 1 0 398.576 4.259 20 0 GIADRO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1cc(OC)ccc1OC)c1ccc(Cl)cc1 ZINC000123797225 823541802 /nfs/dbraw/zinc/54/18/02/823541802.db2.gz SKEPOWIOENDVPA-CXAGYDPISA-N 1 0 376.884 4.425 20 0 GIADRO CC[C@@H]([NH2+]CCc1ccc(Cl)s1)c1ccccc1OCC(=O)N(C)C ZINC000177892842 823542464 /nfs/dbraw/zinc/54/24/64/823542464.db2.gz KHXLWEMEOVDCTR-MRXNPFEDSA-N 1 0 380.941 4.152 20 0 GIADRO COc1ccc2ccccc2c1C[N@H+](CC(=O)NCC(F)(F)F)C1CCCC1 ZINC000060564410 823542802 /nfs/dbraw/zinc/54/28/02/823542802.db2.gz DFGNKJLUXQFEBR-UHFFFAOYSA-N 1 0 394.437 4.272 20 0 GIADRO CCc1nc2c(s1)[C@@H]([N@H+](C)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)CCC2 ZINC000177895037 823542934 /nfs/dbraw/zinc/54/29/34/823542934.db2.gz GQLDOBLITLJOEV-HOCLYGCPSA-N 1 0 379.570 4.272 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)NCc1cccc2ccccc21 ZINC000060565816 823542977 /nfs/dbraw/zinc/54/29/77/823542977.db2.gz PXHUAVAQMKZLLW-UHFFFAOYSA-N 1 0 397.469 4.391 20 0 GIADRO Cc1ccc(CCC(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)o1 ZINC000123820270 823543233 /nfs/dbraw/zinc/54/32/33/823543233.db2.gz LXYMYLDUZZQEQB-FOIQADDNSA-N 1 0 378.875 4.122 20 0 GIADRO CC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)c12 ZINC000060573282 823543621 /nfs/dbraw/zinc/54/36/21/823543621.db2.gz SCAQXRDDSLQKSM-VQIMIIECSA-N 1 0 396.535 4.045 20 0 GIADRO Cc1cc(CNC(=O)NC2CC[NH+](C3CC3)CC2)ccc1Oc1ccc(F)cc1 ZINC000060575656 823544028 /nfs/dbraw/zinc/54/40/28/823544028.db2.gz RJEXVJXRGRJRGU-UHFFFAOYSA-N 1 0 397.494 4.352 20 0 GIADRO C[C@@H]([NH2+]CCOc1ccc(C(F)(F)F)cc1)c1ccc(-n2cncn2)cc1 ZINC000177903602 823544152 /nfs/dbraw/zinc/54/41/52/823544152.db2.gz SHZCWFKRPVTWBS-CQSZACIVSA-N 1 0 376.382 4.016 20 0 GIADRO O=C(Cc1csc(-c2ccccc2)n1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000060579128 823544269 /nfs/dbraw/zinc/54/42/69/823544269.db2.gz UKQGWCBDZJSHQS-UHFFFAOYSA-N 1 0 383.561 4.077 20 0 GIADRO CC(C)C[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)c1ccccn1 ZINC000177907585 823544728 /nfs/dbraw/zinc/54/47/28/823544728.db2.gz WESJFAOXAIFPKF-QGZVFWFLSA-N 1 0 376.298 4.160 20 0 GIADRO C[C@@H]([NH2+]Cc1cccnc1-n1ccnc1)c1cc(Br)ccc1F ZINC000177910870 823545361 /nfs/dbraw/zinc/54/53/61/823545361.db2.gz NCAWOBFOIDDRGX-GFCCVEGCSA-N 1 0 375.245 4.020 20 0 GIADRO COCc1ncsc1C(=O)N(CCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000411098312 823545542 /nfs/dbraw/zinc/54/55/42/823545542.db2.gz DROJTYMBIGIKMG-UHFFFAOYSA-N 1 0 393.940 4.076 20 0 GIADRO CC[C@H]1C[C@@H](C(=O)N(CCC[NH+]2CCCC2)c2ccc(Cl)cc2)CCO1 ZINC000411099534 823545740 /nfs/dbraw/zinc/54/57/40/823545740.db2.gz GWDYZJRATZQORL-PXNSSMCTSA-N 1 0 378.944 4.364 20 0 GIADRO CC(C)C[C@H]([NH2+]Cc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1)c1ccccn1 ZINC000177920094 823546270 /nfs/dbraw/zinc/54/62/70/823546270.db2.gz LHBGQKVLJXFVIQ-YDHSSHFGSA-N 1 0 395.547 4.208 20 0 GIADRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+][C@@H]3CC(C)(C)c4ccccc43)cc2)C[C@@H](C)O1 ZINC000177922769 823546590 /nfs/dbraw/zinc/54/65/90/823546590.db2.gz DRYVHJPWANNMJO-PMAPCBKXSA-N 1 0 392.543 4.448 20 0 GIADRO COCc1ncc(C(=O)N(CCC[NH+]2CCCC2)c2ccc(Cl)cc2)s1 ZINC000411105909 823547233 /nfs/dbraw/zinc/54/72/33/823547233.db2.gz YZZBMDZNSDANIF-UHFFFAOYSA-N 1 0 393.940 4.076 20 0 GIADRO O=C(C[C@H](Cc1ccccc1)c1ccccc1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000460943796 823547662 /nfs/dbraw/zinc/54/76/62/823547662.db2.gz OGEWFOQJYBAANO-BJKOFHAPSA-N 1 0 376.544 4.490 20 0 GIADRO C[C@H]([NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccc2c(c1)OCCCO2 ZINC000177938073 823548489 /nfs/dbraw/zinc/54/84/89/823548489.db2.gz UHCKFMGCCWUVEV-NPMXOYFQSA-N 1 0 381.472 4.421 20 0 GIADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000460952036 823549568 /nfs/dbraw/zinc/54/95/68/823549568.db2.gz ACVWRAQKZIZPDM-JKSUJKDBSA-N 1 0 382.470 4.364 20 0 GIADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2ccc(OCc3ccccn3)cc2)C1 ZINC000460954951 823549990 /nfs/dbraw/zinc/54/99/90/823549990.db2.gz YQPQLLLTNNZUNJ-KNKQGSTJSA-N 1 0 393.531 4.138 20 0 GIADRO CCN(CCC[NH+]1CCCC1)C(=O)N[C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000190200223 823550130 /nfs/dbraw/zinc/55/01/30/823550130.db2.gz MTIHCFYEEKOONH-LJQANCHMSA-N 1 0 380.536 4.327 20 0 GIADRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2ccc(OCc3ccccn3)cc2)C1 ZINC000460961331 823551252 /nfs/dbraw/zinc/55/12/52/823551252.db2.gz UYZTZOTVLQHDSL-OALUTQOASA-N 1 0 395.547 4.147 20 0 GIADRO CC1(C)C[C@@H](C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c2ccccc2O1 ZINC000411153570 823552323 /nfs/dbraw/zinc/55/23/23/823552323.db2.gz BSKPCQGOLDWNID-QZTJIDSGSA-N 1 0 384.545 4.346 20 0 GIADRO O=C(C[C@@H](c1ccc(O)cc1)C1CC1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000411155912 823552507 /nfs/dbraw/zinc/55/25/07/823552507.db2.gz IMTPUYOSQASOKM-PKTZIBPZSA-N 1 0 378.516 4.229 20 0 GIADRO CS(=O)(=O)c1cccc([C@@H]([NH2+]C[C@@H]2CC=CCC2)c2cc(F)ccc2F)c1 ZINC000123933021 823552967 /nfs/dbraw/zinc/55/29/67/823552967.db2.gz SNNMSYOGQPPSJI-QVKFZJNVSA-N 1 0 391.483 4.404 20 0 GIADRO CC[C@@H](C(=O)Nc1ccc(CN2CC[NH+](CC)CC2)cc1)c1ccc(F)cc1 ZINC000460973578 823553705 /nfs/dbraw/zinc/55/37/05/823553705.db2.gz NGVZYKKXNQJVII-JOCHJYFZSA-N 1 0 383.511 4.096 20 0 GIADRO Cc1ccc2ncc(C[N@@H+]3CCC[C@@H](c4nnc5n4CCCCC5)C3)cc2c1 ZINC000411169615 823553996 /nfs/dbraw/zinc/55/39/96/823553996.db2.gz RRIMEIYCGKPEKA-LJQANCHMSA-N 1 0 375.520 4.241 20 0 GIADRO Cn1cc(CC[NH2+][C@H](c2cccc(F)c2)c2cccc(Br)c2)cn1 ZINC000123951906 823554660 /nfs/dbraw/zinc/55/46/60/823554660.db2.gz ADQQVZUMEHYYFF-IBGZPJMESA-N 1 0 388.284 4.243 20 0 GIADRO CC(C)c1nn(C)c(Cl)c1C[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000123953022 823554984 /nfs/dbraw/zinc/55/49/84/823554984.db2.gz RKHJEUIFXKIIHM-UHFFFAOYSA-N 1 0 375.929 4.048 20 0 GIADRO O=C(C[C@@H](Cc1ccccc1)c1ccccc1)NC1CC[NH+](CC2CC2)CC1 ZINC000460985274 823555982 /nfs/dbraw/zinc/55/59/82/823555982.db2.gz XDLIBLVTJXMYDA-HSZRJFAPSA-N 1 0 376.544 4.394 20 0 GIADRO CCOc1c(C[NH2+]CCc2nc(-c3ccccn3)cs2)c(C)nn1CC(C)C ZINC000123966341 823556099 /nfs/dbraw/zinc/55/60/99/823556099.db2.gz PXKDSLMINFTODL-UHFFFAOYSA-N 1 0 399.564 4.097 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1ncoc1-c1ccccc1Cl)CC(C)C ZINC000460988299 823556378 /nfs/dbraw/zinc/55/63/78/823556378.db2.gz BIILFSASMJNZSI-HNNXBMFYSA-N 1 0 377.916 4.481 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)C1(c2cccc(C(F)(F)F)c2)CCCCC1)C1CC1 ZINC000460991617 823556474 /nfs/dbraw/zinc/55/64/74/823556474.db2.gz TUWXPJOAHMIJFF-GOSISDBHSA-N 1 0 382.470 4.364 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1cc(C)cc(C)c1Br)c1ccco1 ZINC000460990482 823556533 /nfs/dbraw/zinc/55/65/33/823556533.db2.gz ZRXZDWCVHLPPSN-MRXNPFEDSA-N 1 0 393.325 4.472 20 0 GIADRO CC[NH+](CC)[C@@H](C)CNC(=O)c1cn(C(C)(C)C)nc1-c1ccc(F)cc1F ZINC000460996195 823556686 /nfs/dbraw/zinc/55/66/86/823556686.db2.gz JWUCDNUHOFTXMF-AWEZNQCLSA-N 1 0 392.494 4.043 20 0 GIADRO Brc1csc(C[NH2+]CCc2nc(-c3ccccn3)cs2)c1 ZINC000123971988 823556906 /nfs/dbraw/zinc/55/69/06/823556906.db2.gz GIRCRTCEHMFYOI-UHFFFAOYSA-N 1 0 380.336 4.361 20 0 GIADRO CCN(CC)c1ccc(/C=[NH+]/C[C@@H](O)c2ccc(OC(F)(F)F)cc2)c(O)c1 ZINC000060789490 823557734 /nfs/dbraw/zinc/55/77/34/823557734.db2.gz QTGXYIKWFYIDBP-QVHMZZSFSA-N 1 0 396.409 4.290 20 0 GIADRO Cc1cc(NC(=O)C(=O)N[C@@H](C)c2cc3ccccc3s2)ccc1C[NH+](C)C ZINC000411216154 823557938 /nfs/dbraw/zinc/55/79/38/823557938.db2.gz SVVADQMAUMCWLN-HNNXBMFYSA-N 1 0 395.528 4.087 20 0 GIADRO O[C@H](C[C@H]1CCCCC[N@@H+]1CC1CCC2(CC1)OCCO2)c1cccs1 ZINC000190270545 823558154 /nfs/dbraw/zinc/55/81/54/823558154.db2.gz JUSZMSXXSSEXIW-RTBURBONSA-N 1 0 379.566 4.350 20 0 GIADRO COc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)CC2)cc1 ZINC000411224880 823558682 /nfs/dbraw/zinc/55/86/82/823558682.db2.gz JNSUIYIBMCFNJB-FCHUYYIVSA-N 1 0 398.934 4.187 20 0 GIADRO O=C(COc1ccc(C(F)(F)F)cc1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000060804591 823558827 /nfs/dbraw/zinc/55/88/27/823558827.db2.gz DPODKBCBCNBEKC-UHFFFAOYSA-N 1 0 378.394 4.319 20 0 GIADRO Cc1cc(NC(=O)C(=O)N(C)[C@@H](c2ccccc2C)C(C)C)ccc1C[NH+](C)C ZINC000411232369 823559175 /nfs/dbraw/zinc/55/91/75/823559175.db2.gz SRTRTNNZCKPDKI-JOCHJYFZSA-N 1 0 395.547 4.159 20 0 GIADRO CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@H]1CCc2sc(Cl)cc21)c1ccco1 ZINC000461015526 823559286 /nfs/dbraw/zinc/55/92/86/823559286.db2.gz MXKQKLLJTVLCAV-FPMFFAJLSA-N 1 0 381.929 4.410 20 0 GIADRO COc1cccc(C[NH2+]C[C@@H](c2ccco2)N2CCCCC2)c1OC(F)F ZINC000060818786 823559680 /nfs/dbraw/zinc/55/96/80/823559680.db2.gz WDQNAIVPCBHJMN-INIZCTEOSA-N 1 0 380.435 4.206 20 0 GIADRO CCCCOc1ccc(C[NH2+]C[C@@H](c2ccc(F)cc2)N2CCOCC2)cc1 ZINC000060818172 823559690 /nfs/dbraw/zinc/55/96/90/823559690.db2.gz KHPJFTOUAYGSGA-QHCPKHFHSA-N 1 0 386.511 4.168 20 0 GIADRO CC(=O)c1ccc(NC(=S)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1 ZINC000060827142 823560424 /nfs/dbraw/zinc/56/04/24/823560424.db2.gz DMFJCKIDGJUZTE-OAQYLSRUSA-N 1 0 381.545 4.321 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)c2cccc(OCc3ccc(Cl)cc3)c2)CC[N@@H+]1C ZINC000124022946 823560835 /nfs/dbraw/zinc/56/08/35/823560835.db2.gz YDFSLCGFLZNHOV-JXFKEZNVSA-N 1 0 386.923 4.474 20 0 GIADRO CCOc1cc(C[NH2+]CC(C)(C)N2CCCCC2)cc(Br)c1OC ZINC000060832685 823560946 /nfs/dbraw/zinc/56/09/46/823560946.db2.gz UFONDAAUYWKQKH-UHFFFAOYSA-N 1 0 399.373 4.211 20 0 GIADRO CCOc1c(Br)cc(C[NH2+]CC(C)(C)N2CCCCC2)cc1OC ZINC000060832687 823561021 /nfs/dbraw/zinc/56/10/21/823561021.db2.gz DZMZXKRUMXJXDR-UHFFFAOYSA-N 1 0 399.373 4.211 20 0 GIADRO FC(F)(F)c1csc([C@H]2CCC[N@H+](CC3CCC4(CC3)OCCO4)C2)n1 ZINC000190304718 823561058 /nfs/dbraw/zinc/56/10/58/823561058.db2.gz DADQSFFAAUSOEV-AWEZNQCLSA-N 1 0 390.471 4.275 20 0 GIADRO Cc1cccc(-c2n[nH]cc2C[NH2+]Cc2ccc(C)nc2-n2cc(Cl)cn2)c1 ZINC000190304994 823561126 /nfs/dbraw/zinc/56/11/26/823561126.db2.gz XKSIYHKECLRMBB-UHFFFAOYSA-N 1 0 392.894 4.217 20 0 GIADRO C[C@@](CO)([NH2+]Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C1CCCCC1 ZINC000411278871 823561876 /nfs/dbraw/zinc/56/18/76/823561876.db2.gz AWLAXJPEUFQCLW-QFIPXVFZSA-N 1 0 397.544 4.485 20 0 GIADRO C[C@](CO)([NH2+]Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1)C1CCCCC1 ZINC000411279690 823562008 /nfs/dbraw/zinc/56/20/08/823562008.db2.gz CBOCREKUCCJJMS-JOCHJYFZSA-N 1 0 397.544 4.485 20 0 GIADRO Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000411286922 823562390 /nfs/dbraw/zinc/56/23/90/823562390.db2.gz XOZFWAVFEQYSEK-BZSNNMDCSA-N 1 0 395.551 4.180 20 0 GIADRO COc1ccc(-c2n[nH]cc2C[NH2+]Cc2cccc(C)c2Br)cc1 ZINC000190322071 823562647 /nfs/dbraw/zinc/56/26/47/823562647.db2.gz JQEORGATTFATBW-UHFFFAOYSA-N 1 0 386.293 4.446 20 0 GIADRO COc1ccc2nc(NC(=O)NCc3ccccc3C[N@H+](C)C(C)C)sc2c1 ZINC000060857388 823562689 /nfs/dbraw/zinc/56/26/89/823562689.db2.gz XOGUQZVSAGBMTE-UHFFFAOYSA-N 1 0 398.532 4.467 20 0 GIADRO CCS[C@H]1CC[C@@H]([N@H+](C)CCC(=O)Nc2ccccc2Br)C1 ZINC000411298217 823563006 /nfs/dbraw/zinc/56/30/06/823563006.db2.gz NHDZUEDYGPVYBX-KGLIPLIRSA-N 1 0 385.371 4.384 20 0 GIADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 ZINC000461040676 823564074 /nfs/dbraw/zinc/56/40/74/823564074.db2.gz DCTGCZISNUJAEF-AWEZNQCLSA-N 1 0 376.422 4.185 20 0 GIADRO Cc1cc(C(O)=CONC(=[NH2+])CCCc2ccccc2)c(C)n1CC(F)(F)F ZINC000060875358 823564093 /nfs/dbraw/zinc/56/40/93/823564093.db2.gz YWOQCKIVADQARX-UHFFFAOYSA-N 1 0 395.425 4.162 20 0 GIADRO c1csc(-c2nn(Cc3ccccc3)cc2C[NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)c1 ZINC000190337704 823564503 /nfs/dbraw/zinc/56/45/03/823564503.db2.gz PSISRXZWLQACLW-AQNXPRMDSA-N 1 0 379.529 4.317 20 0 GIADRO C[C@@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)c1cc(Cl)ccc1Cl ZINC000411332484 823564857 /nfs/dbraw/zinc/56/48/57/823564857.db2.gz BAGLUCSWPUFEIW-IUODEOHRSA-N 1 0 387.376 4.388 20 0 GIADRO COC[C@H]([NH2+][C@@H](CO)Cc1c[nH]c2ccccc12)c1cccc(C(F)(F)F)c1 ZINC000124070427 823564956 /nfs/dbraw/zinc/56/49/56/823564956.db2.gz SUDOVQMZEJBFOG-XLIONFOSSA-N 1 0 392.421 4.067 20 0 GIADRO COC[C@](C)(CCO)[NH2+]Cc1sc(-c2ccc(C(F)(F)F)cc2)nc1C ZINC000411334010 823564997 /nfs/dbraw/zinc/56/49/97/823564997.db2.gz ONQDWRUGLYBBHI-KRWDZBQOSA-N 1 0 388.455 4.014 20 0 GIADRO Cc1ccccc1C(=O)NC1CC[NH+](Cc2ccc(-c3ncco3)cc2F)CC1 ZINC000411334436 823565021 /nfs/dbraw/zinc/56/50/21/823565021.db2.gz DOVMFHIYUJRVRV-UHFFFAOYSA-N 1 0 393.462 4.184 20 0 GIADRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)[C@@]1(C)C[C@@H]1c1ccccc1)c1ccccc1O2 ZINC000411352819 823566007 /nfs/dbraw/zinc/56/60/07/823566007.db2.gz VXGNHLVLJZBJLZ-DPLHUUCSSA-N 1 0 390.527 4.285 20 0 GIADRO CN(Cc1c(Cl)cccc1Cl)C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000411356499 823566103 /nfs/dbraw/zinc/56/61/03/823566103.db2.gz UCSIPPBDLWXKJK-AWEZNQCLSA-N 1 0 387.376 4.169 20 0 GIADRO Cc1ccc2ncc(C[NH+]3CCC(C(=O)NCCc4cccs4)CC3)cc2c1 ZINC000411355751 823566170 /nfs/dbraw/zinc/56/61/70/823566170.db2.gz PZONSQMZLVACDB-UHFFFAOYSA-N 1 0 393.556 4.176 20 0 GIADRO C[C@@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000411358644 823566294 /nfs/dbraw/zinc/56/62/94/823566294.db2.gz COZGEHBRHUAIHK-DYVFJYSZSA-N 1 0 386.483 4.100 20 0 GIADRO O=C(C[C@H](c1ccc(O)cc1)C1CC1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000411383482 823568167 /nfs/dbraw/zinc/56/81/67/823568167.db2.gz UZKRHTROYDVVDX-QHCPKHFHSA-N 1 0 378.516 4.188 20 0 GIADRO O[C@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1)COc1ccccc1 ZINC000060943286 823568265 /nfs/dbraw/zinc/56/82/65/823568265.db2.gz VFQHTLWCUKMGDV-HSZRJFAPSA-N 1 0 399.494 4.069 20 0 GIADRO OCc1ccc(C[NH2+][C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)cc1 ZINC000124115139 823568834 /nfs/dbraw/zinc/56/88/34/823568834.db2.gz NLVVHUWSTKFRJB-JOCHJYFZSA-N 1 0 375.447 4.199 20 0 GIADRO CN(Cc1cc(Br)ccc1F)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000124119877 823569317 /nfs/dbraw/zinc/56/93/17/823569317.db2.gz PABHKFOGVVUHGP-UHFFFAOYSA-N 1 0 394.288 4.314 20 0 GIADRO O=C1NCCCN1C1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000411397185 823570081 /nfs/dbraw/zinc/57/00/81/823570081.db2.gz HGRJEYBDBRLHSY-OAQYLSRUSA-N 1 0 383.923 4.309 20 0 GIADRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(CCc2cncs2)CC1 ZINC000411400601 823570437 /nfs/dbraw/zinc/57/04/37/823570437.db2.gz VENWWTALFUTVOY-UHFFFAOYSA-N 1 0 383.483 4.301 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)c2ccc(OC)cc2OC(C)C)CC1 ZINC000190416295 823570921 /nfs/dbraw/zinc/57/09/21/823570921.db2.gz WQBSGWZSVCAKJU-UHFFFAOYSA-N 1 0 376.541 4.067 20 0 GIADRO COc1ccc(C)cc1NC(=O)[C@@H]([NH2+]C[C@](C)(OC)C1CC1)c1ccccc1 ZINC000461076164 823571158 /nfs/dbraw/zinc/57/11/58/823571158.db2.gz OOUSCHXAQOJFSW-GMAHTHKFSA-N 1 0 382.504 4.088 20 0 GIADRO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1Br ZINC000190425316 823571986 /nfs/dbraw/zinc/57/19/86/823571986.db2.gz MSZBXOCOUYMXPU-HOTGVXAUSA-N 1 0 398.732 4.329 20 0 GIADRO Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C[NH2+]CCCn1ccnc1 ZINC000061003038 823572075 /nfs/dbraw/zinc/57/20/75/823572075.db2.gz DCCBTYOGNCOMKU-UHFFFAOYSA-N 1 0 397.832 4.229 20 0 GIADRO CC[N@H+](CCC(=O)N[C@H](c1cccs1)c1ccccc1)Cc1ccncc1 ZINC000411422109 823572382 /nfs/dbraw/zinc/57/23/82/823572382.db2.gz JDHYIBGMRIFZRW-QFIPXVFZSA-N 1 0 379.529 4.261 20 0 GIADRO C[C@@H](c1ccccn1)[N@H+](C)CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000411421517 823572386 /nfs/dbraw/zinc/57/23/86/823572386.db2.gz MUUBYMRTWHSMRX-HTAPYJJXSA-N 1 0 379.529 4.432 20 0 GIADRO CCc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]CCn2ccnc2)cc1 ZINC000061014676 823572842 /nfs/dbraw/zinc/57/28/42/823572842.db2.gz ZRIBLARFCRECTM-UHFFFAOYSA-N 1 0 385.515 4.147 20 0 GIADRO Fc1ccc(-c2ccc(C[NH2+]C[C@@H](c3ccc(F)cc3)N3CCOCC3)o2)cc1 ZINC000061013051 823572867 /nfs/dbraw/zinc/57/28/67/823572867.db2.gz VWGIFIQBFLIYLC-QFIPXVFZSA-N 1 0 398.453 4.388 20 0 GIADRO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1CCC(=O)Nc1c(Cl)cccc1Cl ZINC000411427856 823573018 /nfs/dbraw/zinc/57/30/18/823573018.db2.gz RGSXVUNIIBGMKG-HNNXBMFYSA-N 1 0 381.307 4.499 20 0 GIADRO CC[C@@H](CNC(=O)NCC1CC[NH+](Cc2cccs2)CC1)c1ccccc1 ZINC000061021301 823573665 /nfs/dbraw/zinc/57/36/65/823573665.db2.gz VTMABHBNRLAXJK-IBGZPJMESA-N 1 0 385.577 4.453 20 0 GIADRO C[N@@H+]1CCCC12CCN(Cc1nc(=O)c3c(-c4ccccc4)csc3[nH]1)CC2 ZINC000411440047 823574385 /nfs/dbraw/zinc/57/43/85/823574385.db2.gz GSDOAHURZLAMFM-UHFFFAOYSA-N 1 0 394.544 4.124 20 0 GIADRO CSc1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2cccc(OC(F)F)c2)cc1 ZINC000411441143 823574399 /nfs/dbraw/zinc/57/43/99/823574399.db2.gz CWWNDPGXWWQFMB-DZGCQCFKSA-N 1 0 383.460 4.100 20 0 GIADRO CCC[NH+]1CCC(NC(=O)COc2ccc(-c3ccccc3)cc2Cl)CC1 ZINC000061031661 823574499 /nfs/dbraw/zinc/57/44/99/823574499.db2.gz OAWPQHWWOHBRJU-UHFFFAOYSA-N 1 0 386.923 4.376 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]2CCCc3c(O)cccc32)CC1 ZINC000190441479 823574511 /nfs/dbraw/zinc/57/45/11/823574511.db2.gz QRGMZRGDGKRNMW-JTSKRJEESA-N 1 0 378.516 4.154 20 0 GIADRO CC[NH+](CC)CCN(C(=O)[C@@H]1CCO[C@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000461089521 823574609 /nfs/dbraw/zinc/57/46/09/823574609.db2.gz XGORUBIYHXCSQG-HZPDHXFCSA-N 1 0 386.458 4.195 20 0 GIADRO CC[NH+](CC)CCN(C(=O)[C@H]1CCO[C@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000461089519 823574613 /nfs/dbraw/zinc/57/46/13/823574613.db2.gz XGORUBIYHXCSQG-CVEARBPZSA-N 1 0 386.458 4.195 20 0 GIADRO Cc1ncsc1CCC(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000411444428 823574752 /nfs/dbraw/zinc/57/47/52/823574752.db2.gz ZZVJQDIDMRGVLS-IAGOWNOFSA-N 1 0 385.577 4.178 20 0 GIADRO O=C(NCCc1cccc(Cl)c1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000061036576 823574790 /nfs/dbraw/zinc/57/47/90/823574790.db2.gz HAHUDPKUWHEABJ-UHFFFAOYSA-N 1 0 391.968 4.155 20 0 GIADRO CCN(Cc1cccs1)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000061036773 823574811 /nfs/dbraw/zinc/57/48/11/823574811.db2.gz JOSGCUGYTSVRJR-UHFFFAOYSA-N 1 0 377.579 4.253 20 0 GIADRO Cc1cccc(COc2ccc([C@H](C)[NH2+][C@H](CCO)C3CCOCC3)cc2)c1 ZINC000461090535 823574964 /nfs/dbraw/zinc/57/49/64/823574964.db2.gz AKHAMMNPPQNIHI-YADARESESA-N 1 0 383.532 4.402 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2CCCc3c(O)cccc32)cc1Cl ZINC000190444914 823575103 /nfs/dbraw/zinc/57/51/03/823575103.db2.gz ZDRWHNMFEYAMMO-QGZVFWFLSA-N 1 0 388.895 4.045 20 0 GIADRO CC[NH+](CC)CCN(C(=O)CC[C@H]1CCOC1)c1cccc(C(F)(F)F)c1 ZINC000461094171 823575487 /nfs/dbraw/zinc/57/54/87/823575487.db2.gz JWWRQQXBJDVPDM-INIZCTEOSA-N 1 0 386.458 4.197 20 0 GIADRO CC[NH+](CC)CCN(C(=O)CC[C@@H]1CCOC1)c1cccc(C(F)(F)F)c1 ZINC000461094172 823575565 /nfs/dbraw/zinc/57/55/65/823575565.db2.gz JWWRQQXBJDVPDM-MRXNPFEDSA-N 1 0 386.458 4.197 20 0 GIADRO COc1cc(Br)ccc1[C@H](C)[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000190449182 823575944 /nfs/dbraw/zinc/57/59/44/823575944.db2.gz RZKVMJQURMVNFD-AWEZNQCLSA-N 1 0 390.325 4.304 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@@H](C)C(=O)N(C)c2ccccc2)cnn1-c1ccc(F)cc1 ZINC000411451387 823576037 /nfs/dbraw/zinc/57/60/37/823576037.db2.gz HMSXFDQXESUTAQ-HOTGVXAUSA-N 1 0 380.467 4.022 20 0 GIADRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1Cl)c1cccc(N2CCCC2=O)c1 ZINC000411454345 823576423 /nfs/dbraw/zinc/57/64/23/823576423.db2.gz KVGACFCFEMVDJM-HNNXBMFYSA-N 1 0 385.895 4.146 20 0 GIADRO CO[C@@]1(C[NH2+][C@H](c2ccccc2)c2ccc(Br)cc2F)CCOC1 ZINC000461097999 823576611 /nfs/dbraw/zinc/57/66/11/823576611.db2.gz HGKTYZMVEGSXDB-RTBURBONSA-N 1 0 394.284 4.073 20 0 GIADRO CO[C@@]1(C[NH2+][C@@H](c2ccc(Cl)cc2)c2ccc(OC(F)F)cc2)CCOC1 ZINC000461098591 823576632 /nfs/dbraw/zinc/57/66/32/823576632.db2.gz AYFRCRQPNLNDKV-AZUAARDMSA-N 1 0 397.849 4.426 20 0 GIADRO CC[NH+]1CCN(Cc2ccc(CNCc3c(Cl)cccc3Cl)cc2)CC1 ZINC000061070151 823576756 /nfs/dbraw/zinc/57/67/56/823576756.db2.gz CFGLSVJTESWKFS-UHFFFAOYSA-N 1 0 392.374 4.421 20 0 GIADRO CC[N@H+](Cc1c[nH]c2ccccc12)[C@H](C)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000190455390 823577002 /nfs/dbraw/zinc/57/70/02/823577002.db2.gz OCEAKHDIGBUITL-OAHLLOKOSA-N 1 0 381.476 4.034 20 0 GIADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)[C@H]1CCSc2ccccc21 ZINC000461100862 823577301 /nfs/dbraw/zinc/57/73/01/823577301.db2.gz BOWWFAKEPMKCIK-CTNGQTDRSA-N 1 0 395.572 4.174 20 0 GIADRO COc1ccc(C2([NH2+]CCC(=O)Nc3ccccc3C(F)(F)F)CC2)cc1 ZINC000411460244 823577395 /nfs/dbraw/zinc/57/73/95/823577395.db2.gz LVYXXWZTXFWZKH-UHFFFAOYSA-N 1 0 378.394 4.322 20 0 GIADRO O=C1CCCN1C[C@H]([NH2+]Cc1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC000061077846 823577488 /nfs/dbraw/zinc/57/74/88/823577488.db2.gz KJGGMSKQGAJDNZ-SFHVURJKSA-N 1 0 378.394 4.039 20 0 GIADRO COc1ccc([C@H](CCO)[NH2+]CCC(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000411463765 823577747 /nfs/dbraw/zinc/57/77/47/823577747.db2.gz SPMGPUWDWCKCIB-KRWDZBQOSA-N 1 0 397.302 4.044 20 0 GIADRO Cc1c2ccccc2oc1[C@H]([NH2+]CCC(=O)Nc1ccc(C(N)=O)cc1)C(C)C ZINC000411463869 823577766 /nfs/dbraw/zinc/57/77/66/823577766.db2.gz SLXGTTANEHQSTK-OAQYLSRUSA-N 1 0 393.487 4.156 20 0 GIADRO COc1cccc(NC(=O)CC[NH2+][C@H](C)c2ccc(OCC(F)(F)F)cc2)c1 ZINC000411464206 823577774 /nfs/dbraw/zinc/57/77/74/823577774.db2.gz XRRGUSGRHQEOOP-CQSZACIVSA-N 1 0 396.409 4.316 20 0 GIADRO CC(C)(C)n1nccc1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000190462013 823577755 /nfs/dbraw/zinc/57/77/55/823577755.db2.gz FSFDVOYRJUHRGE-VQTJNVASSA-N 1 0 395.551 4.157 20 0 GIADRO COc1ccc([C@@H](CCO)[NH2+]Cc2ccc(Cl)c(Br)c2)cc1 ZINC000411464582 823577966 /nfs/dbraw/zinc/57/79/66/823577966.db2.gz URIDKFVDAIQIQB-QGZVFWFLSA-N 1 0 384.701 4.324 20 0 GIADRO COCCSc1ccc([C@H](C)[NH2+]Cc2ccc(Br)cn2)cc1 ZINC000411465367 823577976 /nfs/dbraw/zinc/57/79/76/823577976.db2.gz ONGWVGZIKXRFJV-ZDUSSCGKSA-N 1 0 381.339 4.433 20 0 GIADRO C[NH+](C)C1(CNC(=O)NCc2ccccc2COCc2ccccc2)CCCC1 ZINC000061114309 823578832 /nfs/dbraw/zinc/57/88/32/823578832.db2.gz XAAVCZWXJJNXQA-UHFFFAOYSA-N 1 0 395.547 4.077 20 0 GIADRO CN(C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000461109259 823579218 /nfs/dbraw/zinc/57/92/18/823579218.db2.gz SFRKKXGHOXNCKN-OWCLPIDISA-N 1 0 387.446 4.179 20 0 GIADRO CC[C@H](NC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1)c1ccc(OC)cc1 ZINC000061132995 823579657 /nfs/dbraw/zinc/57/96/57/823579657.db2.gz DEYXMFLLFLBBGM-QHCPKHFHSA-N 1 0 395.547 4.107 20 0 GIADRO CCCCc1nc(CN2CC[NH+](Cc3cccc4cccnc43)CC2)cs1 ZINC000061136272 823580009 /nfs/dbraw/zinc/58/00/09/823580009.db2.gz FQERGXJGUXQKHN-UHFFFAOYSA-N 1 0 380.561 4.352 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCC(c3ccncc3)CC2)[C@@H]1c1cccs1 ZINC000190484252 823579982 /nfs/dbraw/zinc/57/99/82/823579982.db2.gz MKHLBVLYKJIKER-TZIWHRDSSA-N 1 0 398.576 4.115 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(OC)cc2OCc2ccccc2)C1 ZINC000190487413 823580330 /nfs/dbraw/zinc/58/03/30/823580330.db2.gz IMLZKBZTMLYWCT-IBGZPJMESA-N 1 0 397.519 4.080 20 0 GIADRO CC(C)(C)[C@@H](COc1ccccc1F)[NH2+]CCc1nc2ccccc2c(=O)[nH]1 ZINC000411488088 823580709 /nfs/dbraw/zinc/58/07/09/823580709.db2.gz KGHHXMSMTQNIIH-LJQANCHMSA-N 1 0 383.467 4.100 20 0 GIADRO CC[N@H+](Cc1c[nH]c2ccccc12)[C@@H](C)C(=O)Nc1cc(OC)ccc1OC ZINC000190492849 823580752 /nfs/dbraw/zinc/58/07/52/823580752.db2.gz RUCBQHITEJKGTD-HNNXBMFYSA-N 1 0 381.476 4.034 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCc3c(O)cccc32)[C@@H]1c1cccs1 ZINC000190494132 823580985 /nfs/dbraw/zinc/58/09/85/823580985.db2.gz UDWZNBXFZJKBGZ-FQELHTAISA-N 1 0 384.545 4.073 20 0 GIADRO O=C(CC[N@@H+]1CCC[C@H]1C1CCOCC1)N[C@@H](c1cccs1)c1ccccc1 ZINC000411494309 823581095 /nfs/dbraw/zinc/58/10/95/823581095.db2.gz JFYBDKLDIMXOBF-NZQKXSOJSA-N 1 0 398.572 4.235 20 0 GIADRO CC1(C(=O)NC[C@@H]2CCO[C@H]2c2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000190496845 823581187 /nfs/dbraw/zinc/58/11/87/823581187.db2.gz RCSXSEIBDVURQK-GOTSBHOMSA-N 1 0 392.543 4.183 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1cccc(Cc2ccccc2)c1 ZINC000411496788 823581530 /nfs/dbraw/zinc/58/15/30/823581530.db2.gz NCWBPARDPUILHB-UHFFFAOYSA-N 1 0 385.511 4.067 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1cccc(OC(F)F)c1)c1ccccc1 ZINC000061164701 823581757 /nfs/dbraw/zinc/58/17/57/823581757.db2.gz OIEOSYNIEPKBFU-SFHVURJKSA-N 1 0 377.435 4.493 20 0 GIADRO CC(C)[NH+]1CCN(c2ccc(C(=O)N3CCC[C@H]3C3CCCCC3)cc2)CC1 ZINC000061166620 823581975 /nfs/dbraw/zinc/58/19/75/823581975.db2.gz RJDBHCCMSFSBBO-QHCPKHFHSA-N 1 0 383.580 4.402 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccnn1C(C)(C)C ZINC000190506587 823582041 /nfs/dbraw/zinc/58/20/41/823582041.db2.gz MGDIZGVRJVGETE-IBGZPJMESA-N 1 0 383.540 4.014 20 0 GIADRO O=C(CC[NH2+][C@@H](c1cccnc1)C1CC1)NC(c1ccccc1)c1ccccc1 ZINC000411504212 823582046 /nfs/dbraw/zinc/58/20/46/823582046.db2.gz MCVVRZUXMOLRQO-XMMPIXPASA-N 1 0 385.511 4.418 20 0 GIADRO C[C@@H]([NH2+]Cc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)[C@@H](C)C1CCCCC1 ZINC000411512994 823582900 /nfs/dbraw/zinc/58/29/00/823582900.db2.gz BZJJNQNXPMOAAY-HZPDHXFCSA-N 1 0 379.508 4.216 20 0 GIADRO CC[NH+](CC)CCNC(=O)c1ccccc1Nc1ccc(OC(F)F)cc1 ZINC000061190825 823583135 /nfs/dbraw/zinc/58/31/35/823583135.db2.gz DJJSTBDRCNZMHS-UHFFFAOYSA-N 1 0 377.435 4.103 20 0 GIADRO C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]C[C@@H]1CCN(CC(F)(F)F)C1 ZINC000124277411 823583323 /nfs/dbraw/zinc/58/33/23/823583323.db2.gz KBPHNDQAGWMHDN-ZFWWWQNUSA-N 1 0 380.401 4.083 20 0 GIADRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CC(=O)N(C)Cc3ccco3)s2)cc1 ZINC000411523918 823584485 /nfs/dbraw/zinc/58/44/85/823584485.db2.gz AOCZJORBGHIWRJ-AWEZNQCLSA-N 1 0 399.516 4.029 20 0 GIADRO C[C@H](c1nnc(SCC[C@@H]2CCC[N@@H+]2C)n1-c1ccc(Cl)cc1)N(C)C ZINC000124294267 823584768 /nfs/dbraw/zinc/58/47/68/823584768.db2.gz ICQKYULUWMVAOJ-ZBFHGGJFSA-N 1 0 393.988 4.120 20 0 GIADRO COc1cc(NC(=O)CC[NH2+][C@@H](C)c2c(C)cccc2C)cc(OC)c1OC ZINC000411527105 823584927 /nfs/dbraw/zinc/58/49/27/823584927.db2.gz NDMIGDRCECZVMA-INIZCTEOSA-N 1 0 386.492 4.009 20 0 GIADRO C[C@H]([NH2+]CCC(=O)Nc1cc(Cl)ccc1Cl)[C@H]1COc2ccccc21 ZINC000411534667 823585770 /nfs/dbraw/zinc/58/57/70/823585770.db2.gz OWBFWUJLXOYBGW-SWLSCSKDSA-N 1 0 379.287 4.476 20 0 GIADRO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C[NH2+][C@H]1CCCC[C@H]1C(N)=O ZINC000411539921 823586486 /nfs/dbraw/zinc/58/64/86/823586486.db2.gz MWKNUNJWLJYWQA-CABCVRRESA-N 1 0 397.466 4.271 20 0 GIADRO CCCNC(=O)c1ccc(NC(=O)c2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000411545753 823587060 /nfs/dbraw/zinc/58/70/60/823587060.db2.gz YFQKJAIMVNWDEL-UHFFFAOYSA-N 1 0 379.504 4.065 20 0 GIADRO CC(C)Cc1ccc([C@@H](NC(=S)NCC[NH+](C)C)c2cccs2)cc1 ZINC000061252913 823587240 /nfs/dbraw/zinc/58/72/40/823587240.db2.gz GFNKTYRIXOXNAG-LJQANCHMSA-N 1 0 375.607 4.062 20 0 GIADRO COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cc3ccccc3o2)c1 ZINC000190571810 823587315 /nfs/dbraw/zinc/58/73/15/823587315.db2.gz WSFADGRPAWVFNB-HUUCEWRRSA-N 1 0 380.444 4.206 20 0 GIADRO COc1ccc([C@@H](O)C[NH2+][C@H](c2ccc(Br)s2)C2CC2)cc1 ZINC000190578183 823587892 /nfs/dbraw/zinc/58/78/92/823587892.db2.gz LVHFWSYMXPUCRF-YOEHRIQHSA-N 1 0 382.323 4.294 20 0 GIADRO O=C(CC[NH2+][C@H]1CCCC[C@@H]1n1cccn1)Nc1c(Cl)cccc1Cl ZINC000411564428 823588367 /nfs/dbraw/zinc/58/83/67/823588367.db2.gz VYQVYOSLWJELHG-HOTGVXAUSA-N 1 0 381.307 4.292 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)NCC(C)(C)c2ccc(C(F)(F)F)cc2)CC[N@@H+]1C ZINC000190583954 823588415 /nfs/dbraw/zinc/58/84/15/823588415.db2.gz RRBOEKHXCKSQCH-WMLDXEAASA-N 1 0 385.474 4.107 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C[C@H](c2ccc(O)cc2)C2CC2)C1 ZINC000411585464 823589398 /nfs/dbraw/zinc/58/93/98/823589398.db2.gz HGKXJMOSYBRHQO-FHZYATBESA-N 1 0 378.516 4.228 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCSCC2)c1)c1cc(-c2ccccc2F)on1 ZINC000061285868 823589540 /nfs/dbraw/zinc/58/95/40/823589540.db2.gz GXQOBYYEPFVPES-UHFFFAOYSA-N 1 0 397.475 4.282 20 0 GIADRO CC1=NN(c2ccc(C(=O)Nc3cccc(C[NH+]4CCSCC4)c3)cc2)CC1 ZINC000061285874 823589575 /nfs/dbraw/zinc/58/95/75/823589575.db2.gz XXXRVZWVHYAYNW-UHFFFAOYSA-N 1 0 394.544 4.074 20 0 GIADRO O=C(CCOc1cccc(Cl)c1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000061285900 823589632 /nfs/dbraw/zinc/58/96/32/823589632.db2.gz XUGRAEOHDVJCIL-UHFFFAOYSA-N 1 0 390.936 4.296 20 0 GIADRO CC(C)c1c(NC2CC[NH+](Cc3ccccn3)CC2)cnn1-c1ccccc1 ZINC000190599194 823590030 /nfs/dbraw/zinc/59/00/30/823590030.db2.gz IVZIBHMKZZPQDX-UHFFFAOYSA-N 1 0 375.520 4.467 20 0 GIADRO CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)o1 ZINC000411604262 823590093 /nfs/dbraw/zinc/59/00/93/823590093.db2.gz GGXIUWHHXVBVBN-HZPDHXFCSA-N 1 0 387.423 4.128 20 0 GIADRO C[C@H](CO)[N@H+](Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1)C1CCCC1 ZINC000411606117 823590262 /nfs/dbraw/zinc/59/02/62/823590262.db2.gz RRBYNJONSOTHEV-CQSZACIVSA-N 1 0 383.517 4.189 20 0 GIADRO COC(=O)c1ccc(NC(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000061303592 823590616 /nfs/dbraw/zinc/59/06/16/823590616.db2.gz VGTHMYCJJAMQKN-UHFFFAOYSA-N 1 0 395.503 4.027 20 0 GIADRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)CSc1ccc(F)cc1 ZINC000061308493 823591080 /nfs/dbraw/zinc/59/10/80/823591080.db2.gz BQENZBZRNRWKKG-UHFFFAOYSA-N 1 0 390.549 4.414 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCCc2ccccc2F)C1 ZINC000061311704 823591201 /nfs/dbraw/zinc/59/12/01/823591201.db2.gz RMIBQSSPRTZCFG-GOSISDBHSA-N 1 0 383.511 4.100 20 0 GIADRO CC1CC[NH+](C2CCC(NC(=O)N3CCC(c4ccncc4)CC3)CC2)CC1 ZINC000190613038 823591629 /nfs/dbraw/zinc/59/16/29/823591629.db2.gz XRSLNZRMKKQKLE-UHFFFAOYSA-N 1 0 384.568 4.014 20 0 GIADRO CCCOC(=O)c1ccc(NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000061331557 823591858 /nfs/dbraw/zinc/59/18/58/823591858.db2.gz URLWVXGTEGICEJ-UHFFFAOYSA-N 1 0 395.503 4.171 20 0 GIADRO COc1ccc(C(C)(C)C[NH2+][C@H](C)c2nc(Cc3ccc(F)cc3)no2)cc1 ZINC000124382872 823592158 /nfs/dbraw/zinc/59/21/58/823592158.db2.gz ZRDQIXNRPATAFU-OAHLLOKOSA-N 1 0 383.467 4.437 20 0 GIADRO CCC1(CC)[C@H]([NH2+]CCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)C[C@@H]1OC ZINC000411630922 823592410 /nfs/dbraw/zinc/59/24/10/823592410.db2.gz KYAUNVCCRBDBBL-UXHICEINSA-N 1 0 398.551 4.001 20 0 GIADRO CCOC(=O)c1cccc(NC(=O)NCc2ccccc2C[N@H+](C)C(C)C)c1 ZINC000061350661 823592904 /nfs/dbraw/zinc/59/29/04/823592904.db2.gz MNLGWSZNOTWCCP-UHFFFAOYSA-N 1 0 383.492 4.025 20 0 GIADRO COc1cc(C[NH+]2CCC(Oc3ncccc3C)CC2)ccc1OC(F)F ZINC000411641052 823592960 /nfs/dbraw/zinc/59/29/60/823592960.db2.gz LHXLUEDOVIMLGZ-UHFFFAOYSA-N 1 0 378.419 4.043 20 0 GIADRO CCOC(=O)/C=C/c1ccc(NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000061353833 823593234 /nfs/dbraw/zinc/59/32/34/823593234.db2.gz BGKJBVUFMLWKSW-BJRSVTDJSA-N 1 0 387.524 4.039 20 0 GIADRO O=C(CC[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)Nc1cccc(F)c1 ZINC000411643394 823593287 /nfs/dbraw/zinc/59/32/87/823593287.db2.gz IWTMPOKDWZEKHC-PKOBYXMFSA-N 1 0 380.822 4.067 20 0 GIADRO Cn1c(CCC[NH2+]Cc2ccc(OCc3ccncc3)cc2)nc2ccccc21 ZINC000124407744 823594153 /nfs/dbraw/zinc/59/41/53/823594153.db2.gz YHWGNCCFOQPNJZ-UHFFFAOYSA-N 1 0 386.499 4.270 20 0 GIADRO CCOc1ccc(NC(=O)CC[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)cc1 ZINC000411651879 823594365 /nfs/dbraw/zinc/59/43/65/823594365.db2.gz SWZDOQAGLYBYOT-CTNGQTDRSA-N 1 0 388.895 4.187 20 0 GIADRO CN(C(=O)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)C1CC(C)(C)C1 ZINC000411663532 823595699 /nfs/dbraw/zinc/59/56/99/823595699.db2.gz CXMIAEXEFYUAHJ-UHFFFAOYSA-N 1 0 385.552 4.037 20 0 GIADRO CC[C@@H](C)[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)C[C@H](O)c1ccccc1 ZINC000124432634 823596291 /nfs/dbraw/zinc/59/62/91/823596291.db2.gz CJZVODDVJSYFCT-BEFAXECRSA-N 1 0 394.437 4.478 20 0 GIADRO CC[C@H](C)[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)C[C@H](O)c1ccccc1 ZINC000124432851 823596322 /nfs/dbraw/zinc/59/63/22/823596322.db2.gz CJZVODDVJSYFCT-KXBFYZLASA-N 1 0 394.437 4.478 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)c1csc([C@@H]2CCCO2)n1 ZINC000124432475 823596372 /nfs/dbraw/zinc/59/63/72/823596372.db2.gz UTQWKZDJZMOFGT-FQEVSTJZSA-N 1 0 399.560 4.301 20 0 GIADRO C[C@@H]1OCC[C@@]1(O)C[N@H+](Cc1ccccc1)Cc1ccc(-c2ncco2)cc1F ZINC000411677437 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386.517 4.282 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)c2ccc(NC(=O)C(C)C)cc2)[NH+]2CCCC2)cc1 ZINC000061502835 823600063 /nfs/dbraw/zinc/60/00/63/823600063.db2.gz LODZFRSCIRPQJD-JOCHJYFZSA-N 1 0 393.531 4.156 20 0 GIADRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+][C@@H](C)C(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000411724024 823600100 /nfs/dbraw/zinc/60/01/00/823600100.db2.gz CZKCYRAJFPCDPI-LLUDDFSJSA-N 1 0 396.531 4.346 20 0 GIADRO Cc1noc(C)c1C(C)(C)[NH2+]CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000411724373 823600148 /nfs/dbraw/zinc/60/01/48/823600148.db2.gz DDEXDONWTHMIMY-UHFFFAOYSA-N 1 0 391.515 4.412 20 0 GIADRO Fc1cc(-c2ncco2)ccc1C[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000411724606 823600249 /nfs/dbraw/zinc/60/02/49/823600249.db2.gz YTGIQLWXQKBRAN-SJBKTWHCSA-N 1 0 378.447 4.485 20 0 GIADRO O=C(CC[N@@H+]1CCC[C@@H](c2ccncc2)C1)Nc1ccccc1Br ZINC000411731786 823600772 /nfs/dbraw/zinc/60/07/72/823600772.db2.gz RAGOQSJDDIVVIW-MRXNPFEDSA-N 1 0 388.309 4.052 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)CC1 ZINC000461223954 823601100 /nfs/dbraw/zinc/60/11/00/823601100.db2.gz RIAPVUSNKXYVLH-IBGZPJMESA-N 1 0 380.532 4.359 20 0 GIADRO CC(C)OCc1ccccc1CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000061522533 823601178 /nfs/dbraw/zinc/60/11/78/823601178.db2.gz DQCQLXRBNMOOKV-UHFFFAOYSA-N 1 0 395.547 4.207 20 0 GIADRO CC(C)Oc1ccc(CNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000061522467 823601193 /nfs/dbraw/zinc/60/11/93/823601193.db2.gz XJOVDSSIQSMOKU-UHFFFAOYSA-N 1 0 381.520 4.069 20 0 GIADRO OCC[C@@H]([NH2+]CCc1nc(-c2cccc(Cl)c2)no1)c1ccc(Cl)cc1 ZINC000411741211 823601330 /nfs/dbraw/zinc/60/13/30/823601330.db2.gz PPOPDTRBJNKZDY-QGZVFWFLSA-N 1 0 392.286 4.299 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)Cc2cccc(OCc3cccc(C)c3)c2)CC1 ZINC000461226208 823601436 /nfs/dbraw/zinc/60/14/36/823601436.db2.gz XZMUCCDVZCYQML-UHFFFAOYSA-N 1 0 394.559 4.355 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)[C@H]3CCCc4sccc43)CC2)cc1 ZINC000124500590 823601840 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O=C(C[C@H](c1ccc(O)cc1)C1CC1)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000411762257 823603363 /nfs/dbraw/zinc/60/33/63/823603363.db2.gz WXZPGWMOTJOYCL-VGSWGCGISA-N 1 0 398.572 4.366 20 0 GIADRO CCCOc1c(Br)cc(CNCC2([NH+](C)C)CCCC2)cc1OC ZINC000061555392 823603637 /nfs/dbraw/zinc/60/36/37/823603637.db2.gz ZQZXSDXOAIBSLU-UHFFFAOYSA-N 1 0 399.373 4.211 20 0 GIADRO CC(C)[C@@H]([NH2+]Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1)C1(CO)CCC1 ZINC000411769728 823603678 /nfs/dbraw/zinc/60/36/78/823603678.db2.gz JZZVBROQJMZXTF-LJQANCHMSA-N 1 0 397.544 4.341 20 0 GIADRO Cc1cc(C(=O)NCc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000124526409 823603685 /nfs/dbraw/zinc/60/36/85/823603685.db2.gz FGLMOZOIAICCJQ-UHFFFAOYSA-N 1 0 375.472 4.176 20 0 GIADRO COc1ccc2[nH]c(C(=O)Nc3cc(C[NH+]4CCSCC4)ccc3C)cc2c1 ZINC000190740638 823604091 /nfs/dbraw/zinc/60/40/91/823604091.db2.gz SFMITOYKLBFOLG-UHFFFAOYSA-N 1 0 395.528 4.286 20 0 GIADRO CC(C)(C)n1cc(C[NH2+][C@H]2CCc3n[nH]cc3C2)c(-c2ccccc2Cl)n1 ZINC000124534624 823604368 /nfs/dbraw/zinc/60/43/68/823604368.db2.gz AFNLSWUNXIHBQY-INIZCTEOSA-N 1 0 383.927 4.329 20 0 GIADRO CCC[C@H]1CCc2nc(NC(=O)C3CC[NH+]([C@H]4CCSC4)CC3)sc2C1 ZINC000411782152 823604440 /nfs/dbraw/zinc/60/44/40/823604440.db2.gz DDUUQZDJPVTSTK-HOCLYGCPSA-N 1 0 393.622 4.204 20 0 GIADRO Clc1sc(C[NH2+]Cc2ccc(N3CCCC3)nc2)cc1Br ZINC000190748130 823604754 /nfs/dbraw/zinc/60/47/54/823604754.db2.gz AMCCQXNRKYIFPM-UHFFFAOYSA-N 1 0 386.746 4.449 20 0 GIADRO Cc1c(F)cccc1NC(=O)CC[NH2+][C@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000411791517 823605210 /nfs/dbraw/zinc/60/52/10/823605210.db2.gz NQSRCGRAEQUGNM-GOSISDBHSA-N 1 0 398.400 4.195 20 0 GIADRO Cc1cccn2c(=O)cc(C[N@H+](Cc3cccc(-c4cccnc4)c3)C3CC3)nc12 ZINC000124552145 823605914 /nfs/dbraw/zinc/60/59/14/823605914.db2.gz UMTHYDCQEWHKLQ-UHFFFAOYSA-N 1 0 396.494 4.230 20 0 GIADRO C[C@@H]([NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1)[C@H](O)c1ccc(F)cc1 ZINC000124553056 823605990 /nfs/dbraw/zinc/60/59/90/823605990.db2.gz KLXZCCYOWPIXBQ-SZNDQCEHSA-N 1 0 394.893 4.294 20 0 GIADRO Cc1nn(Cc2ccccc2)c(C)c1C[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000124556503 823606157 /nfs/dbraw/zinc/60/61/57/823606157.db2.gz SNJLEQWRWFOANO-RUZDIDTESA-N 1 0 389.543 4.494 20 0 GIADRO CCn1cc([C@H](C)[NH2+]CCC(=O)Nc2ccccc2Oc2ccccc2)cn1 ZINC000411806129 823606434 /nfs/dbraw/zinc/60/64/34/823606434.db2.gz UUSMTCJNPNNTGG-KRWDZBQOSA-N 1 0 378.476 4.375 20 0 GIADRO COc1cc(C[NH+]2CCC([C@H](O)c3ccccc3)CC2)c(SC)cc1OC ZINC000124562118 823606519 /nfs/dbraw/zinc/60/65/19/823606519.db2.gz XERUEEWWWXOOSK-JOCHJYFZSA-N 1 0 387.545 4.371 20 0 GIADRO OC[C@H]([NH2+]Cc1ccc(Br)c(Br)c1)c1ccccc1 ZINC000124567015 823607128 /nfs/dbraw/zinc/60/71/28/823607128.db2.gz VQNKKMVSPRONQL-HNNXBMFYSA-N 1 0 385.099 4.035 20 0 GIADRO Brc1ccc(C[NH2+]CCc2cscn2)cc1Br ZINC000124568495 823607153 /nfs/dbraw/zinc/60/71/53/823607153.db2.gz LQCIXQHKOCQBDK-UHFFFAOYSA-N 1 0 376.117 4.000 20 0 GIADRO CC[NH+](CC)CCOc1ccc(C(=O)Nc2ccc(F)cc2OC(F)F)cc1 ZINC000461260788 823607241 /nfs/dbraw/zinc/60/72/41/823607241.db2.gz FDBLIRMJZWCYNU-UHFFFAOYSA-N 1 0 396.409 4.400 20 0 GIADRO Cc1cc(/C=C/C(=O)Nc2cnn(CC[NH+](C)C)c2)c(C)n1C1CCCCC1 ZINC000061647013 823607346 /nfs/dbraw/zinc/60/73/46/823607346.db2.gz KAFBHAAJCMUXLY-ZHACJKMWSA-N 1 0 383.540 4.020 20 0 GIADRO CCOc1ccc(Nc2ncccc2C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000461261874 823607602 /nfs/dbraw/zinc/60/76/02/823607602.db2.gz FINAVUGSQVGNIU-IBGZPJMESA-N 1 0 396.535 4.170 20 0 GIADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000461267341 823608996 /nfs/dbraw/zinc/60/89/96/823608996.db2.gz ZPQUYOPGGUIOHA-INIZCTEOSA-N 1 0 395.334 4.126 20 0 GIADRO Brc1ccccc1-c1noc([C@@H]2CCCN2Cc2cccnc2)n1 ZINC000190789081 823609166 /nfs/dbraw/zinc/60/91/66/823609166.db2.gz JHTJKTQBRXJLJM-INIZCTEOSA-N 1 0 385.265 4.231 20 0 GIADRO COc1ccc(Nc2ccccc2C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000461269049 823609308 /nfs/dbraw/zinc/60/93/08/823609308.db2.gz WKYQJPVSNVNLFP-LJQANCHMSA-N 1 0 381.520 4.385 20 0 GIADRO CCN(C)c1ccc(C[NH2+][C@H](C)c2cccc(OCc3ccccn3)c2)cn1 ZINC000190795426 823609894 /nfs/dbraw/zinc/60/98/94/823609894.db2.gz UOSHLXURVMAMBI-GOSISDBHSA-N 1 0 376.504 4.363 20 0 GIADRO COc1ccc(NC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)cc1OC ZINC000061734524 823610044 /nfs/dbraw/zinc/61/00/44/823610044.db2.gz QBTSZYMPFZLKAR-UHFFFAOYSA-N 1 0 397.519 4.402 20 0 GIADRO CCOc1ccc(Oc2cc(C[NH2+]Cc3ccc(N(C)CC)nc3)ccn2)cc1 ZINC000190798825 823610305 /nfs/dbraw/zinc/61/03/05/823610305.db2.gz GVWRCVGKQBUFIQ-UHFFFAOYSA-N 1 0 392.503 4.414 20 0 GIADRO CSc1ccccc1C(=O)Nc1cc(C)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000190799563 823610513 /nfs/dbraw/zinc/61/05/13/823610513.db2.gz FQELZVVEUQILRZ-UHFFFAOYSA-N 1 0 383.561 4.500 20 0 GIADRO Brc1ccccc1-c1noc([C@H]2CCC[N@@H+]2CCc2ccncc2)n1 ZINC000190799655 823610517 /nfs/dbraw/zinc/61/05/17/823610517.db2.gz DAMNKGNIEZNIKX-QGZVFWFLSA-N 1 0 399.292 4.274 20 0 GIADRO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000061743103 823611251 /nfs/dbraw/zinc/61/12/51/823611251.db2.gz HGOJGQLRCNSPLO-UHFFFAOYSA-N 1 0 384.789 4.108 20 0 GIADRO CC[C@@H]([NH2+]CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000411881984 823612261 /nfs/dbraw/zinc/61/22/61/823612261.db2.gz LTAQZHHLSWEISA-NHCUHLMSSA-N 1 0 394.515 4.252 20 0 GIADRO CC[C@H]([NH2+]CC(=O)N1CCC[C@@H]1c1ccc(OC)c(OC)c1)c1ccccc1 ZINC000411884352 823612646 /nfs/dbraw/zinc/61/26/46/823612646.db2.gz FIJQXVMHJKPLBU-VQTJNVASSA-N 1 0 382.504 4.108 20 0 GIADRO CCN(C(=O)C(=O)Nc1cccc2c1C[N@@H+]([C@H](C)C(C)C)C2)C1CC(C)(C)C1 ZINC000411894309 823613655 /nfs/dbraw/zinc/61/36/55/823613655.db2.gz RDGUAYNASBYVFP-MRXNPFEDSA-N 1 0 385.552 4.022 20 0 GIADRO Cc1cc(C(F)(F)F)ccc1C[NH2+]Cc1cccc(CN2CCCC2=O)c1 ZINC000190835673 823614452 /nfs/dbraw/zinc/61/44/52/823614452.db2.gz XGCIMGWSWOKVTG-UHFFFAOYSA-N 1 0 376.422 4.426 20 0 GIADRO CCN(CCc1ccccc1)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000061790780 823614663 /nfs/dbraw/zinc/61/46/63/823614663.db2.gz VVOHTYIRJXAPNB-UHFFFAOYSA-N 1 0 397.588 4.374 20 0 GIADRO O=C(NCc1cc2ccccc2[nH]1)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000061791756 823614738 /nfs/dbraw/zinc/61/47/38/823614738.db2.gz FLUWRQPQPCUUNT-UHFFFAOYSA-N 1 0 394.544 4.081 20 0 GIADRO CCc1ccc(CNC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)s1 ZINC000061792307 823614891 /nfs/dbraw/zinc/61/48/91/823614891.db2.gz CXNLPADIOCPQOS-UHFFFAOYSA-N 1 0 389.590 4.224 20 0 GIADRO CCN(Cc1cccs1)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000061793182 823614897 /nfs/dbraw/zinc/61/48/97/823614897.db2.gz JMFPJNVGSGXWPX-UHFFFAOYSA-N 1 0 389.590 4.393 20 0 GIADRO CO[C@](C)([C@H](C)[NH2+]Cc1ncc(-c2ccccc2Br)o1)C1CC1 ZINC000411941536 823615474 /nfs/dbraw/zinc/61/54/74/823615474.db2.gz HGKAWQSFXSYZCZ-KPZWWZAWSA-N 1 0 379.298 4.397 20 0 GIADRO Cc1ccc2oc(C(=O)N(C)[C@H]3CCCC[C@H]3[N@H+](C)C3CCN(C)CC3)cc2c1 ZINC000124676706 823616299 /nfs/dbraw/zinc/61/62/99/823616299.db2.gz WBNGSCSDWOPQKB-RTWAWAEBSA-N 1 0 397.563 4.150 20 0 GIADRO CC(C)[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)C[C@H](O)C1CCCCC1 ZINC000190851431 823616291 /nfs/dbraw/zinc/61/62/91/823616291.db2.gz KQJBCHSKYZOYKB-SFHVURJKSA-N 1 0 386.458 4.296 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)NCCc2cccc(Cl)c2Cl)c1 ZINC000061865873 823616579 /nfs/dbraw/zinc/61/65/79/823616579.db2.gz CNYGKLFSHPZYAB-UHFFFAOYSA-N 1 0 394.346 4.487 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)NCCc2cccc3ccccc32)c1 ZINC000061864553 823616604 /nfs/dbraw/zinc/61/66/04/823616604.db2.gz XSSPAAFSWBQIRZ-UHFFFAOYSA-N 1 0 375.516 4.333 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)N[C@@H](c2ccccc2)C(F)(F)F)c1 ZINC000061864935 823616681 /nfs/dbraw/zinc/61/66/81/823616681.db2.gz NAUFUSAPLIVEPJ-SFHVURJKSA-N 1 0 379.426 4.241 20 0 GIADRO CCOc1cccc(CNC(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000061868619 823617053 /nfs/dbraw/zinc/61/70/53/823617053.db2.gz GOLOVTWRMCCXJA-LJQANCHMSA-N 1 0 395.547 4.317 20 0 GIADRO CO[C@](C)([C@@H](C)[NH2+]CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C1CC1 ZINC000411978003 823617459 /nfs/dbraw/zinc/61/74/59/823617459.db2.gz YLNHMGWNLSNLPN-QLJPJBMISA-N 1 0 378.822 4.091 20 0 GIADRO Cc1cc(C)c(Br)c(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000461335081 823619587 /nfs/dbraw/zinc/61/95/87/823619587.db2.gz YQZGMWAPLCGFME-YJBOKZPZSA-N 1 0 391.353 4.155 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)N(Cc2ccc(F)cc2)C2CC2)CC1 ZINC000124711521 823619742 /nfs/dbraw/zinc/61/97/42/823619742.db2.gz JCBLCYNOOPKEDZ-UHFFFAOYSA-N 1 0 396.510 4.164 20 0 GIADRO OC[C@H]([NH2+]CCCC(c1ccc(F)cc1)c1ccc(F)cc1)[C@@H]1CCCOC1 ZINC000412000274 823620070 /nfs/dbraw/zinc/62/00/70/823620070.db2.gz YQPBUMYAZLXMLK-XXBNENTESA-N 1 0 389.486 4.254 20 0 GIADRO C[C@H]([NH2+][C@H](CO)[C@H]1CCCOC1)c1ncc(-c2ccc(Cl)cc2Cl)o1 ZINC000412000732 823620084 /nfs/dbraw/zinc/62/00/84/823620084.db2.gz ZHPBTILPZLTWFX-MQIPJXDCSA-N 1 0 385.291 4.087 20 0 GIADRO CC(C)c1ccccc1OC[C@H](O)C[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000412005215 823621393 /nfs/dbraw/zinc/62/13/93/823621393.db2.gz ZTTZILVCBRIECL-ZJSXRUAMSA-N 1 0 395.543 4.403 20 0 GIADRO CCOc1ccc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCOCC2)cc1OCC ZINC000412006059 823621599 /nfs/dbraw/zinc/62/15/99/823621599.db2.gz HDBBIVDMQDOSKG-QHCPKHFHSA-N 1 0 399.531 4.104 20 0 GIADRO COc1cc(F)cc(NC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000124733355 823621819 /nfs/dbraw/zinc/62/18/19/823621819.db2.gz HPMISMBVLDQCQI-UZLBHIALSA-N 1 0 385.483 4.351 20 0 GIADRO Cc1nc2sccn2c(=O)c1CC[N@@H+](C)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000412007998 823622082 /nfs/dbraw/zinc/62/20/82/823622082.db2.gz JYJJJOFNFIPGMT-UXHICEINSA-N 1 0 381.545 4.265 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)Nc2cc(Br)c(F)cc2C)CC1 ZINC000190905007 823622332 /nfs/dbraw/zinc/62/23/32/823622332.db2.gz BGEWARKPWJTPLZ-UHFFFAOYSA-N 1 0 386.309 4.235 20 0 GIADRO C[C@H]1CC[C@@H](C[NH2+]C2(c3ccc(OCc4ccccc4)cc3)CCOCC2)O1 ZINC000190905572 823622344 /nfs/dbraw/zinc/62/23/44/823622344.db2.gz MMBBESYJENGPBU-CVDCTZTESA-N 1 0 381.516 4.428 20 0 GIADRO O=c1[nH]c(CC[NH2+][C@@H](c2ccccc2)C2(CO)CCCCC2)nc2ccccc21 ZINC000412011818 823622472 /nfs/dbraw/zinc/62/24/72/823622472.db2.gz VZFISMCKLQVKCH-QFIPXVFZSA-N 1 0 391.515 4.152 20 0 GIADRO OCC1([C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)c2ccccc2)CCOCC1 ZINC000412011807 823622474 /nfs/dbraw/zinc/62/24/74/823622474.db2.gz VYUQPTCSMYQKGU-LJQANCHMSA-N 1 0 379.422 4.325 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccc(Cl)c(Br)c1 ZINC000062076023 823622915 /nfs/dbraw/zinc/62/29/15/823622915.db2.gz JJDYJRMWCZTQSG-HNNXBMFYSA-N 1 0 397.700 4.262 20 0 GIADRO COCCCCN(Cc1ccccc1)C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000062228511 823625137 /nfs/dbraw/zinc/62/51/37/823625137.db2.gz PHQHTVPQGINNBR-DEOSSOPVSA-N 1 0 394.559 4.354 20 0 GIADRO O=C(CCSc1ccccc1F)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000062230953 823625268 /nfs/dbraw/zinc/62/52/68/823625268.db2.gz CHEDCLFKEKOZLA-IBGZPJMESA-N 1 0 386.536 4.336 20 0 GIADRO O=C(CSc1ccc(F)c(F)c1)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000062231173 823625300 /nfs/dbraw/zinc/62/53/00/823625300.db2.gz RLDSXCKMNRNZFJ-KRWDZBQOSA-N 1 0 390.499 4.085 20 0 GIADRO CCOc1ccccc1NC(=O)[C@@H](C)[NH2+]CC1(c2ccccc2C)CCOCC1 ZINC000062240041 823625679 /nfs/dbraw/zinc/62/56/79/823625679.db2.gz QBEPAINDEBIYRW-LJQANCHMSA-N 1 0 396.531 4.059 20 0 GIADRO CCCCc1noc([C@@H](C)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)n1 ZINC000062243269 823625871 /nfs/dbraw/zinc/62/58/71/823625871.db2.gz ADPNTLJTGRVLJO-QGZVFWFLSA-N 1 0 383.540 4.117 20 0 GIADRO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H]1C[C@@]1(F)c1ccccc1 ZINC000412100185 823626543 /nfs/dbraw/zinc/62/65/43/823626543.db2.gz RSXCXKXDOPNMBU-BRNZLBMESA-N 1 0 378.491 4.183 20 0 GIADRO O=C(NC(c1cccs1)c1cccs1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412114022 823627281 /nfs/dbraw/zinc/62/72/81/823627281.db2.gz ABEOMVZBPXNKQS-HNNXBMFYSA-N 1 0 392.615 4.233 20 0 GIADRO CC[C@H](C)n1ncc(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)c1C1CC1 ZINC000124806224 823627515 /nfs/dbraw/zinc/62/75/15/823627515.db2.gz XOMCAZTYBMCQBV-INIZCTEOSA-N 1 0 384.524 4.314 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2cccc(O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000412118567 823627656 /nfs/dbraw/zinc/62/76/56/823627656.db2.gz DSJNRCHTXZPKPM-XEDHWARRSA-N 1 0 378.516 4.007 20 0 GIADRO COC[C@H]([NH2+][C@H]1CCC[C@@H](C(=O)NC(C)C)C1)c1cccc(C(F)(F)F)c1 ZINC000124810049 823627891 /nfs/dbraw/zinc/62/78/91/823627891.db2.gz HAPTXALCJYRCCQ-NJAFHUGGSA-N 1 0 386.458 4.066 20 0 GIADRO CC(C)Oc1ccc([C@H](C)NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000124818634 823628474 /nfs/dbraw/zinc/62/84/74/823628474.db2.gz PZJQZTMIFRYFGI-KPLVRAHFSA-N 1 0 385.552 4.193 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]2CCO[C@H]2c2ccccc2)CC1 ZINC000412132248 823628889 /nfs/dbraw/zinc/62/88/89/823628889.db2.gz LXMLGAOEYJOIOX-YSZBQJHXSA-N 1 0 378.516 4.106 20 0 GIADRO CC(C)[C@@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)c1ccccc1Cl ZINC000412137120 823629216 /nfs/dbraw/zinc/62/92/16/823629216.db2.gz OLJAUMWDXTUTBK-VQIMIIECSA-N 1 0 380.985 4.371 20 0 GIADRO O=C(NC[C@@H]1CCO[C@H]1c1ccccc1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412135958 823629253 /nfs/dbraw/zinc/62/92/53/823629253.db2.gz NGPFKBKPGQXZRD-GOTSBHOMSA-N 1 0 378.516 4.180 20 0 GIADRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)Nc1ccc(Br)cc1 ZINC000062368167 823629755 /nfs/dbraw/zinc/62/97/55/823629755.db2.gz CCRXWURPDSMLRC-UHFFFAOYSA-N 1 0 394.288 4.184 20 0 GIADRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)Nc1ccccc1Br ZINC000062368088 823629766 /nfs/dbraw/zinc/62/97/66/823629766.db2.gz NJCHQMBIFKJICD-UHFFFAOYSA-N 1 0 394.288 4.184 20 0 GIADRO O[C@@H](COCc1ccccc1F)C[NH+]1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000062367150 823629897 /nfs/dbraw/zinc/62/98/97/823629897.db2.gz JVUWHYPAOCOYRB-HXUWFJFHSA-N 1 0 382.479 4.064 20 0 GIADRO COc1ccc(NC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)cc1F ZINC000062393714 823632389 /nfs/dbraw/zinc/63/23/89/823632389.db2.gz RVBHPPHPEUWXSA-UHFFFAOYSA-N 1 0 379.863 4.083 20 0 GIADRO CCOc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)cc1F ZINC000062404718 823633178 /nfs/dbraw/zinc/63/31/78/823633178.db2.gz AUPRLOLYQHXRBW-UHFFFAOYSA-N 1 0 395.425 4.098 20 0 GIADRO COc1c(F)cc(NC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)cc1F ZINC000062405010 823633200 /nfs/dbraw/zinc/63/32/00/823633200.db2.gz KSQDEDXZDKXVCG-UHFFFAOYSA-N 1 0 397.853 4.223 20 0 GIADRO O=C(NCCc1cccc(-c2ccccc2)c1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412180706 823633227 /nfs/dbraw/zinc/63/32/27/823633227.db2.gz BNTMDGLDRVYOBN-QHCPKHFHSA-N 1 0 394.584 4.230 20 0 GIADRO Cc1cc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c2nccc(C)c2c1 ZINC000461424185 823633581 /nfs/dbraw/zinc/63/35/81/823633581.db2.gz HKLWWRUCHGMYHA-FCHUYYIVSA-N 1 0 399.538 4.446 20 0 GIADRO Cc1cc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c2nccc(C)c2c1 ZINC000461424202 823633586 /nfs/dbraw/zinc/63/35/86/823633586.db2.gz HKLWWRUCHGMYHA-YADHBBJMSA-N 1 0 399.538 4.446 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)nc2)CC1 ZINC000412191087 823634375 /nfs/dbraw/zinc/63/43/75/823634375.db2.gz HGKBWKUTHZAHOO-VQTJNVASSA-N 1 0 398.938 4.008 20 0 GIADRO CC(C)OCCOCc1cccc(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000062416803 823634409 /nfs/dbraw/zinc/63/44/09/823634409.db2.gz OZSWTIDMCAXASU-UHFFFAOYSA-N 1 0 391.556 4.059 20 0 GIADRO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CCc2cc(-c3ccccc3)ccc21 ZINC000412195624 823634513 /nfs/dbraw/zinc/63/45/13/823634513.db2.gz QCHOAOWOHYLVAH-JOCHJYFZSA-N 1 0 392.568 4.460 20 0 GIADRO C[C@H](OC1CCCCCC1)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461429942 823635311 /nfs/dbraw/zinc/63/53/11/823635311.db2.gz PPGUACJQRNENCE-BVSLBCMMSA-N 1 0 384.564 4.095 20 0 GIADRO Cc1c(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cnc2ccccc12 ZINC000461431105 823635564 /nfs/dbraw/zinc/63/55/64/823635564.db2.gz QLJVFANJNUHNOC-SFTDATJTSA-N 1 0 385.511 4.137 20 0 GIADRO COc1ccc([C@H](CNC(=O)C[C@H](C)c2c(C)noc2C)[NH+]2CCCCC2)cc1 ZINC000124906735 823635687 /nfs/dbraw/zinc/63/56/87/823635687.db2.gz JYAIDGRALSENOE-KKSFZXQISA-N 1 0 399.535 4.137 20 0 GIADRO O=C(c1cc(F)c(F)cc1Cl)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461431361 823635657 /nfs/dbraw/zinc/63/56/57/823635657.db2.gz RSABODAHEMCWCE-JKSUJKDBSA-N 1 0 390.861 4.212 20 0 GIADRO O=C(c1ccc2sccc2c1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461431368 823635669 /nfs/dbraw/zinc/63/56/69/823635669.db2.gz RSVBUOFOZZAUNY-NHCUHLMSSA-N 1 0 376.525 4.495 20 0 GIADRO O=C(c1ccc2sccc2c1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461431369 823635768 /nfs/dbraw/zinc/63/57/68/823635768.db2.gz RSVBUOFOZZAUNY-RTWAWAEBSA-N 1 0 376.525 4.495 20 0 GIADRO Cc1nc(C(C)(C)C)sc1C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461431975 823635880 /nfs/dbraw/zinc/63/58/80/823635880.db2.gz OADSLYFRTWUUES-OALUTQOASA-N 1 0 397.588 4.343 20 0 GIADRO COc1ccc(F)c(C(=O)Nc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)c1OC ZINC000190992444 823635986 /nfs/dbraw/zinc/63/59/86/823635986.db2.gz WKNCNRUBGWFASF-HNNXBMFYSA-N 1 0 386.467 4.470 20 0 GIADRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)NCc1ccccc1Cl ZINC000062473766 823636886 /nfs/dbraw/zinc/63/68/86/823636886.db2.gz KBMHXSMBEWSDTL-UHFFFAOYSA-N 1 0 380.319 4.267 20 0 GIADRO CC(C)COc1ccc(C(C)(C)C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000461436168 823637024 /nfs/dbraw/zinc/63/70/24/823637024.db2.gz APXLBQRMSQHXHM-FQEVSTJZSA-N 1 0 386.580 4.333 20 0 GIADRO Cc1cccc(OCCCC(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000461437363 823637177 /nfs/dbraw/zinc/63/71/77/823637177.db2.gz GQYIHAKIZBMKEV-DHIUTWEWSA-N 1 0 392.543 4.135 20 0 GIADRO CC[C@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1)c1ccccc1 ZINC000062475481 823637224 /nfs/dbraw/zinc/63/72/24/823637224.db2.gz YUEJDYKKWQTACE-GOSISDBHSA-N 1 0 389.490 4.232 20 0 GIADRO Cc1cccc(OCCCC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000461437368 823637317 /nfs/dbraw/zinc/63/73/17/823637317.db2.gz GQYIHAKIZBMKEV-GOTSBHOMSA-N 1 0 392.543 4.135 20 0 GIADRO O=C(N[C@@H](c1ccccc1)[C@H]1CCOC1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412231492 823638015 /nfs/dbraw/zinc/63/80/15/823638015.db2.gz QBRHJIQJRJEJHL-GOTSBHOMSA-N 1 0 378.516 4.180 20 0 GIADRO O=C(Cc1c(F)cccc1Cl)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461440703 823637973 /nfs/dbraw/zinc/63/79/73/823637973.db2.gz CRTNRFDJBMGRGU-ROUUACIJSA-N 1 0 386.898 4.002 20 0 GIADRO Cc1cc([C@@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)c(C)s1 ZINC000062486016 823638195 /nfs/dbraw/zinc/63/81/95/823638195.db2.gz NCQZIMPMHJCCAW-CQSZACIVSA-N 1 0 395.519 4.478 20 0 GIADRO O=C([C@@H]1C[C@@H]1c1ccc(F)c(F)c1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461443516 823638804 /nfs/dbraw/zinc/63/88/04/823638804.db2.gz BAKHXCJVIRVZTQ-XRXFAXGQSA-N 1 0 396.481 4.049 20 0 GIADRO C[C@H](C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)c1c(F)cccc1F ZINC000461444523 823638868 /nfs/dbraw/zinc/63/88/68/823638868.db2.gz IYLINSRBPYHHKJ-YTQUADARSA-N 1 0 384.470 4.049 20 0 GIADRO C[C@H](CC[NH+](C)C)NC(=O)N[C@@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000062504343 823639120 /nfs/dbraw/zinc/63/91/20/823639120.db2.gz FVSVEPNFKWEPJW-KUHUBIRLSA-N 1 0 377.891 4.208 20 0 GIADRO CCNC(=O)COc1cccc(C[NH2+][C@@H](C)c2cccc(-c3ccncc3)c2)c1 ZINC000124949591 823639704 /nfs/dbraw/zinc/63/97/04/823639704.db2.gz AGDHLKSQQSQUPV-SFHVURJKSA-N 1 0 389.499 4.114 20 0 GIADRO O=C(c1[nH]c2ccccc2c1Cl)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461448348 823639849 /nfs/dbraw/zinc/63/98/49/823639849.db2.gz UJTOZUGHYRYRKH-ZWKOTPCHSA-N 1 0 393.918 4.415 20 0 GIADRO O=C(c1ccc(-n2cccc2)cc1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461448389 823639857 /nfs/dbraw/zinc/63/98/57/823639857.db2.gz UXFDPJVOFCOEDR-DHIUTWEWSA-N 1 0 385.511 4.071 20 0 GIADRO CSc1ccc(C)c(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000461451772 823640354 /nfs/dbraw/zinc/64/03/54/823640354.db2.gz SSIRVFDFQSERAC-VQTJNVASSA-N 1 0 380.557 4.311 20 0 GIADRO Cc1nc(-c2ccccc2)sc1NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412254822 823640408 /nfs/dbraw/zinc/64/04/08/823640408.db2.gz YQUNUQAZPJPLNW-QGZVFWFLSA-N 1 0 387.574 4.275 20 0 GIADRO O=C([C@@H]1C[C@@H]1c1ccccc1Cl)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461453904 823640862 /nfs/dbraw/zinc/64/08/62/823640862.db2.gz HAOLFBZIZJQZAM-NPDDRXJXSA-N 1 0 394.946 4.424 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CC3(CCOCC3)c3ccccc32)C1 ZINC000191037073 823641039 /nfs/dbraw/zinc/64/10/39/823641039.db2.gz GKCDERABZGMSJS-BGYRXZFFSA-N 1 0 399.579 4.023 20 0 GIADRO Cc1c2cc(F)ccc2oc1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461456282 823641500 /nfs/dbraw/zinc/64/15/00/823641500.db2.gz NXQHHMVVKPZGGH-MOPGFXCFSA-N 1 0 392.474 4.474 20 0 GIADRO O=C(CCc1cc2ccccc2o1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461457179 823641642 /nfs/dbraw/zinc/64/16/42/823641642.db2.gz RSJCWJATRKGYFS-FCHUYYIVSA-N 1 0 388.511 4.346 20 0 GIADRO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461458468 823641869 /nfs/dbraw/zinc/64/18/69/823641869.db2.gz UIXYWWBLFQWYPH-MHTWAQMVSA-N 1 0 380.557 4.141 20 0 GIADRO O=C(c1csc2ccccc12)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461458042 823641930 /nfs/dbraw/zinc/64/19/30/823641930.db2.gz XBFBIBNBYSRSOF-RBUKOAKNSA-N 1 0 376.525 4.495 20 0 GIADRO CC(C)Oc1ccccc1C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461459109 823642025 /nfs/dbraw/zinc/64/20/25/823642025.db2.gz ZFRBVKGQILFOCY-LEWJYISDSA-N 1 0 378.516 4.068 20 0 GIADRO Cc1ccc(SCC(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000461459154 823642098 /nfs/dbraw/zinc/64/20/98/823642098.db2.gz ZSJROERRYOJFPC-NHCUHLMSSA-N 1 0 380.557 4.068 20 0 GIADRO COc1cc(C[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)c2ccccc2n1 ZINC000124982928 823642648 /nfs/dbraw/zinc/64/26/48/823642648.db2.gz XFCVTBLGZYRQCK-INIZCTEOSA-N 1 0 375.472 4.221 20 0 GIADRO O=C(Cc1ccc(O)cc1Cl)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000461464467 823642785 /nfs/dbraw/zinc/64/27/85/823642785.db2.gz BAJKJICKKXRCBX-SFHVURJKSA-N 1 0 386.923 4.007 20 0 GIADRO CCc1cc(O)ccc1NC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000191054909 823643059 /nfs/dbraw/zinc/64/30/59/823643059.db2.gz XCVSYFVSWTUWNW-FQEVSTJZSA-N 1 0 392.421 4.348 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)NCc1ccc(-c2ccccc2)o1)c1ccc(F)cc1 ZINC000062647276 823643248 /nfs/dbraw/zinc/64/32/48/823643248.db2.gz WQNKGZTVYAVGQA-FQEVSTJZSA-N 1 0 381.451 4.188 20 0 GIADRO COc1ccccc1CN(C)C(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000062647716 823643293 /nfs/dbraw/zinc/64/32/93/823643293.db2.gz TZMMSHGSLDJCIN-JOCHJYFZSA-N 1 0 395.547 4.310 20 0 GIADRO CC(=O)c1cc(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)ccc1C ZINC000461468691 823643497 /nfs/dbraw/zinc/64/34/97/823643497.db2.gz OEZOFCLMHIKTQX-OAQYLSRUSA-N 1 0 378.516 4.230 20 0 GIADRO O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1c[nH]c2cc(F)ccc12 ZINC000461470122 823643562 /nfs/dbraw/zinc/64/35/62/823643562.db2.gz SDCLBJXPOHYWJH-GOSISDBHSA-N 1 0 379.479 4.339 20 0 GIADRO CC(C)[C@@H]1C[C@@H](CNC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)c2ccccc21 ZINC000412298908 823644372 /nfs/dbraw/zinc/64/43/72/823644372.db2.gz GTNYSHVYPJTFCL-JQVVWYNYSA-N 1 0 386.605 4.247 20 0 GIADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1nnc(CC2CCCC2)n1Cc1cccs1 ZINC000461476751 823644505 /nfs/dbraw/zinc/64/45/05/823644505.db2.gz CAJABHWOZXNFLX-PKOBYXMFSA-N 1 0 399.608 4.184 20 0 GIADRO CCc1ccc(NC(=S)NCC2CC[NH+](Cc3ccc(OC)cc3)CC2)cc1 ZINC000062700221 823645095 /nfs/dbraw/zinc/64/50/95/823645095.db2.gz VJYFEPPYHZDZOQ-UHFFFAOYSA-N 1 0 397.588 4.456 20 0 GIADRO CC[C@H](C)c1nnc(N(C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)n1Cc1cccs1 ZINC000461488513 823646983 /nfs/dbraw/zinc/64/69/83/823646983.db2.gz HSOIIDNJYSMRQH-GVDBMIGSSA-N 1 0 375.586 4.210 20 0 GIADRO CC(C)[NH+]1CCN(c2cccc(N[C@@H](C)c3nc(-c4ccccc4)no3)c2)CC1 ZINC000125045694 823647755 /nfs/dbraw/zinc/64/77/55/823647755.db2.gz UMLRJEIJZAZIHL-SFHVURJKSA-N 1 0 391.519 4.440 20 0 GIADRO CC(C)c1nnc(N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1Cc1cccs1 ZINC000461495833 823648489 /nfs/dbraw/zinc/64/84/89/823648489.db2.gz GXARDCRVTZTDMV-IBGZPJMESA-N 1 0 395.576 4.222 20 0 GIADRO O=C(NCCCCc1ccc(Cl)s1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412348930 823648922 /nfs/dbraw/zinc/64/89/22/823648922.db2.gz ZUFHQYQKYARQNY-HNNXBMFYSA-N 1 0 387.014 4.058 20 0 GIADRO Cc1ccc(C)c(NC(=O)[C@@H](C)Nc2cccc(N3CC[NH+](C(C)C)CC3)c2)c1 ZINC000125060418 823648971 /nfs/dbraw/zinc/64/89/71/823648971.db2.gz VJOOOHSXENVRHJ-HXUWFJFHSA-N 1 0 394.563 4.273 20 0 GIADRO CNC(=O)c1ccc(C[NH2+]CC2(c3cc(F)cc(C(F)(F)F)c3)CC2)cc1 ZINC000191101889 823649432 /nfs/dbraw/zinc/64/94/32/823649432.db2.gz COHBXPIFEDZJHK-UHFFFAOYSA-N 1 0 380.385 4.026 20 0 GIADRO Cc1csc([C@H](NC(=O)c2cccc(C[NH+]3CCCCC3)c2)C(F)(F)F)n1 ZINC000412357819 823649507 /nfs/dbraw/zinc/64/95/07/823649507.db2.gz ANTWLSCAKCTUSE-INIZCTEOSA-N 1 0 397.466 4.471 20 0 GIADRO O=C(N[C@H](c1nccs1)C(F)(F)F)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412358519 823649547 /nfs/dbraw/zinc/64/95/47/823649547.db2.gz GCRAYMHRDRFPJY-OAHLLOKOSA-N 1 0 383.439 4.162 20 0 GIADRO FC(F)Oc1ccccc1N1CC[C@@H]([NH2+]Cc2ccc(Br)o2)C1 ZINC000191103284 823649566 /nfs/dbraw/zinc/64/95/66/823649566.db2.gz JKXWSXBFAXACLU-LLVKDONJSA-N 1 0 387.224 4.012 20 0 GIADRO COc1cc(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)ccc1OC(C)C ZINC000063081319 823650651 /nfs/dbraw/zinc/65/06/51/823650651.db2.gz IRRMVHYYYLRLKH-UHFFFAOYSA-N 1 0 396.531 4.124 20 0 GIADRO Cc1nc(-c2ccccc2)ncc1C(=O)Nc1cccc(OCCC[NH+](C)C)c1 ZINC000125094708 823651390 /nfs/dbraw/zinc/65/13/90/823651390.db2.gz YENAOOVGBYWAEI-UHFFFAOYSA-N 1 0 390.487 4.035 20 0 GIADRO CCCC(=O)Nc1cccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1C ZINC000063107943 823651663 /nfs/dbraw/zinc/65/16/63/823651663.db2.gz QHESHJXWKYPJCN-NRFANRHFSA-N 1 0 379.504 4.337 20 0 GIADRO Fc1ccc(Cl)cc1NC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000063144203 823652521 /nfs/dbraw/zinc/65/25/21/823652521.db2.gz JHVOZLBMXWTTNJ-UHFFFAOYSA-N 1 0 377.916 4.430 20 0 GIADRO CCc1ccc(CN(C)C(=S)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000063143679 823652554 /nfs/dbraw/zinc/65/25/54/823652554.db2.gz LEMSSTPUNFNVIQ-UHFFFAOYSA-N 1 0 381.589 4.220 20 0 GIADRO COCCN(C)c1ccc(C[NH2+]CCc2nc(C3CCCCC3)cs2)cn1 ZINC000191133435 823652570 /nfs/dbraw/zinc/65/25/70/823652570.db2.gz PGQVCWMVFZUHOS-UHFFFAOYSA-N 1 0 388.581 4.001 20 0 GIADRO Cc1c(Cl)cccc1NNC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000063148335 823653028 /nfs/dbraw/zinc/65/30/28/823653028.db2.gz NXRQKHUCPAIRJR-UHFFFAOYSA-N 1 0 388.968 4.104 20 0 GIADRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2cc(Cl)ccc2Br)C1 ZINC000125128710 823653690 /nfs/dbraw/zinc/65/36/90/823653690.db2.gz VXFGYRZKFBRADF-ZDUSSCGKSA-N 1 0 387.749 4.344 20 0 GIADRO Cc1cccc(-c2nn(Cc3ccccc3)cc2C[N@H+](C)CC2CC(O)C2)c1 ZINC000191156357 823654550 /nfs/dbraw/zinc/65/45/50/823654550.db2.gz PNFZLDPMKIZLQS-UHFFFAOYSA-N 1 0 375.516 4.110 20 0 GIADRO Cc1c2ccccc2oc1[C@H](C)NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000125159989 823655860 /nfs/dbraw/zinc/65/58/60/823655860.db2.gz ZXMUUFQVFYSNMF-SQGPQFPESA-N 1 0 381.520 4.461 20 0 GIADRO CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(C(F)(F)F)cs1 ZINC000191190332 823657960 /nfs/dbraw/zinc/65/79/60/823657960.db2.gz KWZTXTYJSFSYIM-GHMZBOCLSA-N 1 0 379.448 4.087 20 0 GIADRO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1cc(-c2ccc(Cl)s2)on1 ZINC000063272298 823658651 /nfs/dbraw/zinc/65/86/51/823658651.db2.gz YICXCTLWOUTROF-UHFFFAOYSA-N 1 0 393.940 4.441 20 0 GIADRO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1ccc(Br)cc1Cl ZINC000063272132 823658694 /nfs/dbraw/zinc/65/86/94/823658694.db2.gz UOVGLTSEIMNPTO-UHFFFAOYSA-N 1 0 399.760 4.487 20 0 GIADRO C[C@H](Oc1ccc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1)c1ccccc1 ZINC000191201377 823658742 /nfs/dbraw/zinc/65/87/42/823658742.db2.gz FSOOQIHZVUWZEY-ZEYPLWLESA-N 1 0 378.516 4.383 20 0 GIADRO COc1ccc(C2(C[NH2+][C@@H](C)c3cnn(C(C)(C)C)c3C)CCOCC2)cc1 ZINC000191207957 823659194 /nfs/dbraw/zinc/65/91/94/823659194.db2.gz LXIJGXLMKUEJTJ-KRWDZBQOSA-N 1 0 385.552 4.354 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(C(=O)NC[C@@H]2CCCO2)c1)c1csc(Cl)c1 ZINC000191211377 823659583 /nfs/dbraw/zinc/65/95/83/823659583.db2.gz CUTYQZXTUMWHQZ-DYVFJYSZSA-N 1 0 378.925 4.161 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2ccc(Oc3cccnc3)cc2)C1 ZINC000063293323 823660550 /nfs/dbraw/zinc/66/05/50/823660550.db2.gz YIGOIYIUDVGHCJ-KDURUIRLSA-N 1 0 381.520 4.362 20 0 GIADRO Cc1csc(CC[NH2+]Cc2ccc(OCc3cn4cccc(C)c4n3)cc2)n1 ZINC000063313198 823661974 /nfs/dbraw/zinc/66/19/74/823661974.db2.gz AVMYEHRXZYZJEQ-UHFFFAOYSA-N 1 0 392.528 4.319 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)c1[nH]c2ccccc2c1Cl ZINC000412560447 823662390 /nfs/dbraw/zinc/66/23/90/823662390.db2.gz BKLZCFGVBRDWAF-UHFFFAOYSA-N 1 0 387.867 4.023 20 0 GIADRO CC(C)CC(=O)Nc1ccc(C(=O)Nc2ccc(C[NH+](C)C)cc2F)cc1F ZINC000412562300 823662562 /nfs/dbraw/zinc/66/25/62/823662562.db2.gz WGULXHATXMVYBR-UHFFFAOYSA-N 1 0 389.446 4.263 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)[C@H](C)c1cc2ccccc2o1 ZINC000412562874 823662704 /nfs/dbraw/zinc/66/27/04/823662704.db2.gz JJKILOPVEWSGKO-OAHLLOKOSA-N 1 0 382.460 4.124 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)CCCc1c[nH]c2ccccc12 ZINC000412563874 823662927 /nfs/dbraw/zinc/66/29/27/823662927.db2.gz MSDRJNDDEDYWQE-UHFFFAOYSA-N 1 0 395.503 4.078 20 0 GIADRO C[C@@H](CC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(Br)cc1 ZINC000125258699 823662979 /nfs/dbraw/zinc/66/29/79/823662979.db2.gz MXOSHWOXJBDSDD-ZDUSSCGKSA-N 1 0 381.358 4.368 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)NCCC3=CCCCC3)CC2)cc1 ZINC000063331388 823663293 /nfs/dbraw/zinc/66/32/93/823663293.db2.gz LIWMWZIEQJMOQU-UHFFFAOYSA-N 1 0 385.552 4.097 20 0 GIADRO C[C@@H](NC(=O)NC1CC[NH+](CC2CCCC2)CC1)c1ccc(OC(F)F)cc1 ZINC000063333212 823663455 /nfs/dbraw/zinc/66/34/55/823663455.db2.gz MQBUTYVUGQAADN-OAHLLOKOSA-N 1 0 395.494 4.303 20 0 GIADRO COCc1cccc(C(=O)N2CC[N@H+](Cc3ccccc3)C3(CCCCC3)C2)c1 ZINC000461579119 823663735 /nfs/dbraw/zinc/66/37/35/823663735.db2.gz NBOFGIVKSHXVHY-UHFFFAOYSA-N 1 0 392.543 4.494 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)cnn1C(C)C ZINC000191254646 823663853 /nfs/dbraw/zinc/66/38/53/823663853.db2.gz MBYWQYSYTDRJEN-ROUUACIJSA-N 1 0 397.567 4.441 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCCc2sccc21)c1cccc(N2CCCS2(=O)=O)c1 ZINC000125270146 823663888 /nfs/dbraw/zinc/66/38/88/823663888.db2.gz DXLCSOQHWCJYLU-KBXCAEBGSA-N 1 0 376.547 4.016 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)[C@@H](C)Cc1cccc(Cl)c1 ZINC000412585287 823664536 /nfs/dbraw/zinc/66/45/36/823664536.db2.gz XTUBMVPICOZPLL-HNNXBMFYSA-N 1 0 390.911 4.106 20 0 GIADRO CC[C@H](C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1)c1ccc(F)cc1 ZINC000125282288 823664758 /nfs/dbraw/zinc/66/47/58/823664758.db2.gz JMPVFMNCXGNARR-GCJKJVERSA-N 1 0 398.522 4.336 20 0 GIADRO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@H](C)c1csc(Cl)c1 ZINC000191267868 823665356 /nfs/dbraw/zinc/66/53/56/823665356.db2.gz XSFIUMFKQPDDEA-CYBMUJFWSA-N 1 0 386.970 4.080 20 0 GIADRO O=C(NN=C1CC[NH+](C2CCCCC2)CC1)c1ccc(COc2ccccc2)o1 ZINC000063371641 823665870 /nfs/dbraw/zinc/66/58/70/823665870.db2.gz WCRDCWWPJDNWET-UHFFFAOYSA-N 1 0 395.503 4.373 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)Nc3ccc(C)c(F)c3)CC2)cc1 ZINC000063388916 823666392 /nfs/dbraw/zinc/66/63/92/823666392.db2.gz AQYBWCZSPIXBCO-UHFFFAOYSA-N 1 0 385.483 4.176 20 0 GIADRO CCc1nc(CN2CCC(C[NH2+][C@H](C)c3cnn(C(C)C)c3C)CC2)cs1 ZINC000191280188 823666776 /nfs/dbraw/zinc/66/67/76/823666776.db2.gz FRFKYPAZNWUOJL-MRXNPFEDSA-N 1 0 389.613 4.354 20 0 GIADRO CC(=O)Nc1ccc(Cl)c(NC(=O)NC2CC[NH+](CC3CCCC3)CC2)c1 ZINC000063392944 823667253 /nfs/dbraw/zinc/66/72/53/823667253.db2.gz QUZVHNHKAJBHGT-UHFFFAOYSA-N 1 0 392.931 4.075 20 0 GIADRO O=C(Nc1nnc(-c2ccsc2)s1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000063394015 823667280 /nfs/dbraw/zinc/66/72/80/823667280.db2.gz UVMWDXLYOTVBQP-UHFFFAOYSA-N 1 0 391.566 4.043 20 0 GIADRO CCOc1cccc([C@@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)c1 ZINC000063404582 823668708 /nfs/dbraw/zinc/66/87/08/823668708.db2.gz IGKZWLQSNONDFP-QGZVFWFLSA-N 1 0 387.499 4.059 20 0 GIADRO Cc1c([C@@H](C)NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)cnn1C(C)C ZINC000191300496 823669084 /nfs/dbraw/zinc/66/90/84/823669084.db2.gz GAKMQIJAEXEMAU-RBUKOAKNSA-N 1 0 384.568 4.323 20 0 GIADRO CCCN(CCC[NH+](C)C)C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000191315720 823670775 /nfs/dbraw/zinc/67/07/75/823670775.db2.gz PBTZWQIVXNLVJI-KRWDZBQOSA-N 1 0 397.947 4.093 20 0 GIADRO CC(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(OC(F)F)cc2)c1 ZINC000125384734 823672341 /nfs/dbraw/zinc/67/23/41/823672341.db2.gz XVGSBDQQRHXDFF-CHWSQXEVSA-N 1 0 376.403 4.168 20 0 GIADRO O=C(NCc1cc2ccccc2o1)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000063463999 823673201 /nfs/dbraw/zinc/67/32/01/823673201.db2.gz NTXJCQKPIGGPRZ-LJQANCHMSA-N 1 0 377.488 4.144 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)Nc2cccc(COCc3ccco3)c2)cc1 ZINC000125417033 823674527 /nfs/dbraw/zinc/67/45/27/823674527.db2.gz GDUKOIZSUUQVJL-UHFFFAOYSA-N 1 0 393.487 4.380 20 0 GIADRO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000191347005 823674737 /nfs/dbraw/zinc/67/47/37/823674737.db2.gz RXFLPRJWECZKFB-UGKGYDQZSA-N 1 0 399.579 4.058 20 0 GIADRO Cc1cc(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)c(C)n1-c1nccs1 ZINC000125424834 823675218 /nfs/dbraw/zinc/67/52/18/823675218.db2.gz WHVLTASGCBQELZ-HXUWFJFHSA-N 1 0 394.544 4.118 20 0 GIADRO Cn1ccnc1COc1ccc(C[NH+]2CCC(OC3CCCCC3)CC2)cc1 ZINC000125426904 823675304 /nfs/dbraw/zinc/67/53/04/823675304.db2.gz JIJQXTTXYSBAEA-UHFFFAOYSA-N 1 0 383.536 4.313 20 0 GIADRO Cc1c([C@@H](C)[NH2+]C[C@H](c2cccc(Cl)c2)N2CCOCC2)cnn1C(C)C ZINC000191355141 823675748 /nfs/dbraw/zinc/67/57/48/823675748.db2.gz HBBKFQUYAXEKQH-IIBYNOLFSA-N 1 0 390.959 4.150 20 0 GIADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2[nH]c3ccc(Br)cc3c2Cl)C1 ZINC000063489944 823675732 /nfs/dbraw/zinc/67/57/32/823675732.db2.gz YOMJGWRNTHUTGH-NSHDSACASA-N 1 0 398.732 4.044 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1cc2ccccc2o1)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000191363899 823676760 /nfs/dbraw/zinc/67/67/60/823676760.db2.gz KIRCLJCRVMJOQC-LSDHHAIUSA-N 1 0 380.444 4.272 20 0 GIADRO COc1ccc([C@H](O)C[NH2+][C@@H](C)c2sc(Cc3ccccc3)nc2C)cc1 ZINC000125452153 823677363 /nfs/dbraw/zinc/67/73/63/823677363.db2.gz DABRADASSOBUIX-MGPUTAFESA-N 1 0 382.529 4.435 20 0 GIADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)CSc2cccc3cccc(Cl)c32)C1 ZINC000063530501 823677829 /nfs/dbraw/zinc/67/78/29/823677829.db2.gz TZOFWBMGWUINOS-OAHLLOKOSA-N 1 0 376.953 4.432 20 0 GIADRO COc1ccc2oc(C[NH2+]C3CCN(C(=O)NC4CCCCC4)CC3)cc2c1 ZINC000125471847 823678999 /nfs/dbraw/zinc/67/89/99/823678999.db2.gz YPDIAPCQCGLCSJ-UHFFFAOYSA-N 1 0 385.508 4.038 20 0 GIADRO CC(C)Oc1ccc(C[NH2+]C[C@@H](O)COc2cccc(Cl)c2Cl)cc1 ZINC000063565857 823679874 /nfs/dbraw/zinc/67/98/74/823679874.db2.gz HSXBJZWHJAQXSO-OAHLLOKOSA-N 1 0 384.303 4.310 20 0 GIADRO CC[C@H](C(=O)N1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1)[NH+](CC)CC ZINC000461682671 823680626 /nfs/dbraw/zinc/68/06/26/823680626.db2.gz OROUSSYRXLTUSM-UXHICEINSA-N 1 0 386.515 4.390 20 0 GIADRO C[C@@H](NC(=O)c1cccnc1SCc1ccc(F)cc1)C(C)(C)C[NH+](C)C ZINC000461683403 823680661 /nfs/dbraw/zinc/68/06/61/823680661.db2.gz ICHMQCTWRFDSEV-OAHLLOKOSA-N 1 0 389.540 4.219 20 0 GIADRO Cc1c([C@@H](C)[NH2+][C@H](CC(C)C)C(=O)Nc2nccs2)cnn1C(C)(C)C ZINC000191408416 823681817 /nfs/dbraw/zinc/68/18/17/823681817.db2.gz BMBYDNIOYKCCDQ-CZUORRHYSA-N 1 0 377.558 4.107 20 0 GIADRO COc1cc(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc(Cl)c1OCC(C)C ZINC000461689774 823681929 /nfs/dbraw/zinc/68/19/29/823681929.db2.gz ZBUOCEYIFNMCHK-AWEZNQCLSA-N 1 0 384.948 4.090 20 0 GIADRO COc1ccc([C@@H](CN[C@H](c2ncc[nH]2)c2ccccc2)[NH+]2CCCCC2)cc1 ZINC000125517914 823682176 /nfs/dbraw/zinc/68/21/76/823682176.db2.gz SMSJNUYIJGITEK-PKTZIBPZSA-N 1 0 390.531 4.325 20 0 GIADRO CC[C@@H](CN(CC)C(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1C)c1ccccc1 ZINC000191413485 823682489 /nfs/dbraw/zinc/68/24/89/823682489.db2.gz IJJZPDZRFHDWRK-FQEVSTJZSA-N 1 0 395.547 4.037 20 0 GIADRO CCCN(CCC[NH+](C)C)C(=O)Nc1cc(NC(=O)C(C)(C)C)ccc1C ZINC000191417242 823683045 /nfs/dbraw/zinc/68/30/45/823683045.db2.gz QFGFQNBNJCLOCE-UHFFFAOYSA-N 1 0 376.545 4.175 20 0 GIADRO CC(C)N(C)c1ccc(C[N@@H+](Cc2ccccc2)C[C@H](O)c2ccco2)cn1 ZINC000191432658 823684542 /nfs/dbraw/zinc/68/45/42/823684542.db2.gz FYNBNAYZHCINQP-NRFANRHFSA-N 1 0 379.504 4.255 20 0 GIADRO CC(C)N(C)c1ccc(CNc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)cn1 ZINC000191438818 823685282 /nfs/dbraw/zinc/68/52/82/823685282.db2.gz JPBQPPAWEZKUBW-UHFFFAOYSA-N 1 0 395.595 4.316 20 0 GIADRO COc1ccc(C[N@@H+]2CCCN(C(=O)CCCCc3ccc(C)cc3)CC2)cc1 ZINC000063643578 823686234 /nfs/dbraw/zinc/68/62/34/823686234.db2.gz AVAVSDWGBRRXCN-UHFFFAOYSA-N 1 0 394.559 4.451 20 0 GIADRO CC(C)Cc1nc(C(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)cs1 ZINC000063661762 823687549 /nfs/dbraw/zinc/68/75/49/823687549.db2.gz VUVZSHPGIXXFFN-UHFFFAOYSA-N 1 0 379.957 4.199 20 0 GIADRO CCCn1ccnc1CCC[N@H+](C)Cc1csc(-c2ccc(OC)cc2)n1 ZINC000191470999 823688615 /nfs/dbraw/zinc/68/86/15/823688615.db2.gz BMAYXYBJBXADCV-UHFFFAOYSA-N 1 0 384.549 4.490 20 0 GIADRO Cc1c(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)[nH]c2c1C(=O)CCC2 ZINC000063679751 823688968 /nfs/dbraw/zinc/68/89/68/823688968.db2.gz AQGZBXVVJCKFIZ-UHFFFAOYSA-N 1 0 393.531 4.148 20 0 GIADRO CCCn1ccnc1CCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(C)cc1Cl ZINC000191473150 823688997 /nfs/dbraw/zinc/68/89/97/823688997.db2.gz OBEBPEVYRFSXIT-MRXNPFEDSA-N 1 0 376.932 4.147 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cc(OC)c(OC)cc1Cl ZINC000125601602 823689116 /nfs/dbraw/zinc/68/91/16/823689116.db2.gz WKNBGFKWHRDTMO-UHFFFAOYSA-N 1 0 390.911 4.129 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000063689084 823689461 /nfs/dbraw/zinc/68/94/61/823689461.db2.gz WYCHQRJYRFHFNY-UHFFFAOYSA-N 1 0 375.856 4.018 20 0 GIADRO O=C(CCCCC(=O)c1ccccc1)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000063702438 823690095 /nfs/dbraw/zinc/69/00/95/823690095.db2.gz JVKUVBDQSYCJAE-QFIPXVFZSA-N 1 0 392.543 4.458 20 0 GIADRO COc1cccc([C@@H]2[C@@H]([NH2+][C@H](C)c3cnn(C(C)C)c3C)CCN2C2CC2)c1 ZINC000191487747 823690373 /nfs/dbraw/zinc/69/03/73/823690373.db2.gz CSMQUFJBDBZXFN-UZFJHSOTSA-N 1 0 382.552 4.410 20 0 GIADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)CCCCc2ccc(Br)cc2)C1 ZINC000063706398 823690369 /nfs/dbraw/zinc/69/03/69/823690369.db2.gz YLCSZPWBQBLWBM-QGZVFWFLSA-N 1 0 381.358 4.008 20 0 GIADRO CCCOc1c(Cl)cc(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)cc1OCC ZINC000063710749 823690377 /nfs/dbraw/zinc/69/03/77/823690377.db2.gz QAFZRCBERCKBGL-INIZCTEOSA-N 1 0 396.959 4.378 20 0 GIADRO COc1ccc([C@H](C)[NH2+]Cc2ccc(OC)c(OC(F)F)c2)cc1NC(C)=O ZINC000125623222 823690758 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20 0 GIADRO O=C(CS[C@@H]1CCC[N@H+](Cc2ccccc2)C1)Nc1c(F)cccc1F ZINC000574452410 823734238 /nfs/dbraw/zinc/73/42/38/823734238.db2.gz GFZNWTHARRIQAT-MRXNPFEDSA-N 1 0 376.472 4.301 20 0 GIADRO O=C([C@@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccccc1)c1ccccc1)N1CCCCC1 ZINC000191689338 823735039 /nfs/dbraw/zinc/73/50/39/823735039.db2.gz WSJNFVJOZHAKCS-VABKMULXSA-N 1 0 378.516 4.108 20 0 GIADRO CC(C)([NH2+]CCC(=O)Nc1cc(N)ccc1F)c1ccc(OC(F)(F)F)cc1 ZINC000191690032 823735143 /nfs/dbraw/zinc/73/51/43/823735143.db2.gz CKXNJVHXYHSSAV-UHFFFAOYSA-N 1 0 399.388 4.160 20 0 GIADRO CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@H](C)CN(C)Cc2ccccc2)cc1 ZINC000574459734 823735664 /nfs/dbraw/zinc/73/56/64/823735664.db2.gz KIWXWLAXQSSVOV-MOPGFXCFSA-N 1 0 382.552 4.388 20 0 GIADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(C3SCCS3)cc2)C1 ZINC000163685965 823736549 /nfs/dbraw/zinc/73/65/49/823736549.db2.gz OIODCTTXQNMAFY-INIZCTEOSA-N 1 0 378.607 4.263 20 0 GIADRO CCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000125883947 823736617 /nfs/dbraw/zinc/73/66/17/823736617.db2.gz BWTHOXBKRZLDBN-IINYFYTJSA-N 1 0 382.348 4.386 20 0 GIADRO O=C(NCc1ccc(-n2ccnc2)cc1)N(Cc1c(F)cccc1F)C1CC1 ZINC000191693218 823736890 /nfs/dbraw/zinc/73/68/90/823736890.db2.gz JWQPWDBKDJSBHE-UHFFFAOYSA-N 1 0 382.414 4.025 20 0 GIADRO COc1ccc(-c2cnc(CCC(=O)N(C)CC[N@H+](C)C3CCCCC3)o2)cc1 ZINC000064035654 823738380 /nfs/dbraw/zinc/73/83/80/823738380.db2.gz FYXXUFWFUTVMFQ-UHFFFAOYSA-N 1 0 399.535 4.006 20 0 GIADRO C[C@H]([NH2+][C@H](CN1CCOCC1)c1ccccc1)c1ccccc1OC(F)F ZINC000163699753 823739189 /nfs/dbraw/zinc/73/91/89/823739189.db2.gz SIEPDLRJNYPYCP-QFBILLFUSA-N 1 0 376.447 4.012 20 0 GIADRO C[C@@H]([NH2+][C@@H](CN1CCOCC1)c1ccccc1)c1cccc(OC(F)F)c1 ZINC000163700585 823739202 /nfs/dbraw/zinc/73/92/02/823739202.db2.gz LZJZGVKVUOQDOU-UZLBHIALSA-N 1 0 376.447 4.012 20 0 GIADRO c1c(-c2cccnc2)nc2sc(N(CC[NH+]3CCCCCC3)C3CCC3)nn12 ZINC000461888555 823739580 /nfs/dbraw/zinc/73/95/80/823739580.db2.gz HHFCOFGPOIJDRO-UHFFFAOYSA-N 1 0 396.564 4.088 20 0 GIADRO C[C@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)CC(F)(F)F ZINC000413268491 823741477 /nfs/dbraw/zinc/74/14/77/823741477.db2.gz QXZRAYCACAMADV-MIGBEJBISA-N 1 0 383.458 4.070 20 0 GIADRO COC1CCN(CC[NH2+][C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)CC1 ZINC000163733070 823742898 /nfs/dbraw/zinc/74/28/98/823742898.db2.gz MOYUBZBQNWRGGN-SFHVURJKSA-N 1 0 389.540 4.027 20 0 GIADRO C[C@H]([NH2+][C@H](CN1CCOCC1)c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000163734208 823743164 /nfs/dbraw/zinc/74/31/64/823743164.db2.gz VQRDAUIFAYWBGV-OXJNMPFZSA-N 1 0 376.447 4.012 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+][C@H](CN2CCOCC2)c2ccccc2)cc1OCC ZINC000163745400 823744344 /nfs/dbraw/zinc/74/43/44/823744344.db2.gz BOFBKKVTJAZKJJ-DENIHFKCSA-N 1 0 398.547 4.208 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)c1cccc(OC(F)(F)F)c1 ZINC000163757377 823745903 /nfs/dbraw/zinc/74/59/03/823745903.db2.gz RZRKAIJNQUMGCI-MRXNPFEDSA-N 1 0 394.437 4.268 20 0 GIADRO CC(C)CN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@H]1CCCc2cccnc21 ZINC000163794878 823749980 /nfs/dbraw/zinc/74/99/80/823749980.db2.gz TXDIJAGAPUEFBI-VTHDOGFWSA-N 1 0 384.568 4.142 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1cccc(C(F)(F)F)c1 ZINC000163814314 823751619 /nfs/dbraw/zinc/75/16/19/823751619.db2.gz XQUYAJVIMVKHOZ-CQSZACIVSA-N 1 0 380.410 4.023 20 0 GIADRO S=c1oc(-c2cccs2)nn1CN1CC[NH+](CC2CCCCC2)CC1 ZINC000064128459 823751883 /nfs/dbraw/zinc/75/18/83/823751883.db2.gz FPLTZUNTJPSDIA-UHFFFAOYSA-N 1 0 378.567 4.089 20 0 GIADRO COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000191744829 823754362 /nfs/dbraw/zinc/75/43/62/823754362.db2.gz ZBYOQRXCTRZCAV-WBVHZDCISA-N 1 0 397.947 4.092 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+][C@@H](C)C(C)(C)c2ccccc2)c1 ZINC000163882114 823756739 /nfs/dbraw/zinc/75/67/39/823756739.db2.gz PEXKRWICRUKLKP-SJORKVTESA-N 1 0 384.520 4.377 20 0 GIADRO C[C@@H](C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)c1cccc(Br)c1 ZINC000461923241 823757646 /nfs/dbraw/zinc/75/76/46/823757646.db2.gz OZJNBWPNAWPHLY-ACJLOTCBSA-N 1 0 393.300 4.111 20 0 GIADRO COc1cc(F)c(C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1OC ZINC000163894467 823758005 /nfs/dbraw/zinc/75/80/05/823758005.db2.gz SAYHWICXFAJOPM-OAHLLOKOSA-N 1 0 386.467 4.327 20 0 GIADRO C[C@H](CC(=O)NC1CC[NH+](C(C)(C)C)CC1)c1ccc(F)c(Br)c1 ZINC000461924503 823757955 /nfs/dbraw/zinc/75/79/55/823757955.db2.gz WHVQZJKZLMPJEW-CYBMUJFWSA-N 1 0 399.348 4.461 20 0 GIADRO CC[C@H](CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)CC(F)(F)F ZINC000413354028 823758015 /nfs/dbraw/zinc/75/80/15/823758015.db2.gz QAHDFPXGZNIGKB-RYRKJORJSA-N 1 0 385.474 4.175 20 0 GIADRO O=c1[nH]c(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2)nc2c1cnn2-c1ccccc1 ZINC000574540241 823759388 /nfs/dbraw/zinc/75/93/88/823759388.db2.gz AQMKKPVFMFZQGF-RXVVDRJESA-N 1 0 399.498 4.022 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(Cc2cc(Br)cc3cccnc32)C1 ZINC000163911702 823760006 /nfs/dbraw/zinc/76/00/06/823760006.db2.gz NFOJQYLXAIKHPH-HNNXBMFYSA-N 1 0 376.342 4.161 20 0 GIADRO CC(C)(C)OC(=O)CC[N@H+](Cc1ncc(Cl)cc1Cl)C1CCOCC1 ZINC000574570494 823769529 /nfs/dbraw/zinc/76/95/29/823769529.db2.gz GMKKYUJFVBVDHB-UHFFFAOYSA-N 1 0 389.323 4.101 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000126040367 823772768 /nfs/dbraw/zinc/77/27/68/823772768.db2.gz STGAQZJQZYNFEA-JLJPHGGASA-N 1 0 384.442 4.116 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1ccccc1-n1ccnn1 ZINC000574591121 823773819 /nfs/dbraw/zinc/77/38/19/823773819.db2.gz HPDXVISSQUVTMR-VIZZQPHQSA-N 1 0 386.858 4.241 20 0 GIADRO COC(=O)[C@H](C)Oc1ccc(C[NH2+][C@@H](C)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000191805025 823774487 /nfs/dbraw/zinc/77/44/87/823774487.db2.gz QNWXKQNTMFFFER-KBPBESRZSA-N 1 0 397.393 4.376 20 0 GIADRO Cc1ccc(CN2CC[C@H]([NH2+]Cc3cnc(-c4cccs4)s3)C2=O)cc1 ZINC000191804596 823774509 /nfs/dbraw/zinc/77/45/09/823774509.db2.gz HZUKUPVGDYHXMC-KRWDZBQOSA-N 1 0 383.542 4.071 20 0 GIADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Cc1cccc(C2CC2)c1 ZINC000413424353 823774675 /nfs/dbraw/zinc/77/46/75/823774675.db2.gz WQXBEJVJTWBBSE-QHCPKHFHSA-N 1 0 377.532 4.015 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)NCCCOc2c(C)cccc2C)c1 ZINC000064227055 823775195 /nfs/dbraw/zinc/77/51/95/823775195.db2.gz NNYMZEKLQNLPGK-UHFFFAOYSA-N 1 0 383.536 4.023 20 0 GIADRO Cc1ccc([C@H]2CCCN2C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)cc1C ZINC000461965978 823775324 /nfs/dbraw/zinc/77/53/24/823775324.db2.gz ACMUVFCPPMUZGI-XMMPIXPASA-N 1 0 391.559 4.028 20 0 GIADRO COCCOCc1ccc(C[NH2+]C[C@H]2CCCO[C@@H]2c2ccc(C)cc2)cc1 ZINC000574600194 823776566 /nfs/dbraw/zinc/77/65/66/823776566.db2.gz JBXLJAIFAICTLJ-DNQXCXABSA-N 1 0 383.532 4.416 20 0 GIADRO COc1ccc(C[NH2+]CCC(=O)Nc2cccc(Cl)c2C)c(C)c1OC ZINC000574599865 823776645 /nfs/dbraw/zinc/77/66/45/823776645.db2.gz BNXQHGWLEMSJOE-UHFFFAOYSA-N 1 0 376.884 4.092 20 0 GIADRO CCOc1ccccc1CN(C)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000064236901 823777689 /nfs/dbraw/zinc/77/76/89/823777689.db2.gz ZRNPKVPMNLVPAM-QFIPXVFZSA-N 1 0 395.547 4.372 20 0 GIADRO CCN(Cc1ccc(OC)cc1)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000064236910 823777738 /nfs/dbraw/zinc/77/77/38/823777738.db2.gz NDRQGBRNDWWPDR-QHCPKHFHSA-N 1 0 395.547 4.372 20 0 GIADRO Cc1ccc([C@H](CNC(=O)NCCc2c[nH]c3ccccc23)[NH+]2CCCC2)cc1 ZINC000064237429 823778306 /nfs/dbraw/zinc/77/83/06/823778306.db2.gz OUQCYVGYBXRYDN-QHCPKHFHSA-N 1 0 390.531 4.155 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)N(Cc1ccccc1)CC1CCC1)Cc1ccccc1 ZINC000064240794 823778606 /nfs/dbraw/zinc/77/86/06/823778606.db2.gz HDJPNVDWOIOQIS-QHCPKHFHSA-N 1 0 379.548 4.171 20 0 GIADRO OC[C@H]1C[N@H+](Cc2ccccc2OCc2ccccc2)CC[C@H]1C(F)(F)F ZINC000574606155 823779015 /nfs/dbraw/zinc/77/90/15/823779015.db2.gz FWQLKJQSRYWKJK-RTBURBONSA-N 1 0 379.422 4.258 20 0 GIADRO CN(C(=O)[C@@H]1CC(C)(C)Oc2ccccc21)C1CC[NH+](Cc2ccccc2)CC1 ZINC000413446830 823779745 /nfs/dbraw/zinc/77/97/45/823779745.db2.gz CTGIGGMAUNRQFL-JOCHJYFZSA-N 1 0 392.543 4.454 20 0 GIADRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)N(Cc1cccs1)C1CC1 ZINC000064251223 823780428 /nfs/dbraw/zinc/78/04/28/823780428.db2.gz VYRYVUPFGAEDSF-UHFFFAOYSA-N 1 0 389.590 4.396 20 0 GIADRO COc1cc([C@@H](C)[NH2+]CC(C)(C)c2ccccc2Cl)ccc1S(C)(=O)=O ZINC000164134924 823780759 /nfs/dbraw/zinc/78/07/59/823780759.db2.gz NEUKFXXUBFXEOJ-CQSZACIVSA-N 1 0 395.952 4.381 20 0 GIADRO OC[C@@H](C[NH2+][C@@H](c1cccc(F)c1)c1cccc(Br)c1)C1CC1 ZINC000574611070 823780728 /nfs/dbraw/zinc/78/07/28/823780728.db2.gz GHDNKEKWGVSRGQ-VQIMIIECSA-N 1 0 378.285 4.286 20 0 GIADRO Cc1ccc([C@H](CNC(=O)C(=O)Nc2ccccc2C(C)C)[NH+]2CCCC2)cc1 ZINC000064272402 823784338 /nfs/dbraw/zinc/78/43/38/823784338.db2.gz BYZDDZGOUPLXEQ-QFIPXVFZSA-N 1 0 393.531 4.010 20 0 GIADRO COc1ccccc1[C@H](CN[C@@H](c1ncc[nH]1)c1ccccc1)[NH+]1CCCCC1 ZINC000126092183 823784714 /nfs/dbraw/zinc/78/47/14/823784714.db2.gz KZPGRUYDURWZHF-JTHBVZDNSA-N 1 0 390.531 4.325 20 0 GIADRO CC[C@@H](C[NH2+]CCC(=O)Nc1cc(OC)c(Cl)cc1OC)c1ccccc1 ZINC000574629551 823785785 /nfs/dbraw/zinc/78/57/85/823785785.db2.gz VLQHPIAGZNMODB-HNNXBMFYSA-N 1 0 390.911 4.469 20 0 GIADRO COc1ccc(CC[C@@H](C)[NH2+][C@H](CCSC)c2nnc3ccccn32)cc1 ZINC000164223951 823787570 /nfs/dbraw/zinc/78/75/70/823787570.db2.gz LJZSOSXGZOQDCT-VQIMIIECSA-N 1 0 384.549 4.143 20 0 GIADRO CCCCC[C@@H](C)[NH2+]Cc1cccnc1Oc1cccc(S(C)(=O)=O)c1 ZINC000164230667 823787838 /nfs/dbraw/zinc/78/78/38/823787838.db2.gz HXIIQXQCEGIGQK-MRXNPFEDSA-N 1 0 376.522 4.336 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)c2cc3sc(N(CC)CC)nc3s2)CC1 ZINC000064310356 823788949 /nfs/dbraw/zinc/78/89/49/823788949.db2.gz QRUJUQVJIUZQCY-UHFFFAOYSA-N 1 0 394.610 4.150 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)CCSc2nc3ccccc3s2)CC1 ZINC000064310000 823788993 /nfs/dbraw/zinc/78/89/93/823788993.db2.gz DOLJPKFBHBJFQU-UHFFFAOYSA-N 1 0 377.579 4.111 20 0 GIADRO C[C@@H]1SCC[N@H+](C[C@H]2CCN(C(=O)c3ccccc3)C2)[C@@H]1c1ccccc1 ZINC000574654241 823791525 /nfs/dbraw/zinc/79/15/25/823791525.db2.gz NVKYSLLVSHWVEA-JQVVWYNYSA-N 1 0 380.557 4.327 20 0 GIADRO c1ccc(C[N@@H+]2CCCO[C@H](CN[C@@H](c3ccccc3)c3ccccn3)C2)cc1 ZINC000191838145 823791988 /nfs/dbraw/zinc/79/19/88/823791988.db2.gz ZRAODYANSUVECW-NOZRDPDXSA-N 1 0 387.527 4.052 20 0 GIADRO CC(C)[C@H]([NH2+][C@@H]1CCc2cccc(Br)c2C1)c1nnc2ccccn21 ZINC000574655475 823792159 /nfs/dbraw/zinc/79/21/59/823792159.db2.gz XUYUAXJZANUCRV-BEFAXECRSA-N 1 0 399.336 4.336 20 0 GIADRO Cc1ccc(NC(=O)C[C@H](C)[NH2+]Cc2nccn2CCc2ccccc2)c(C)c1 ZINC000164271973 823792232 /nfs/dbraw/zinc/79/22/32/823792232.db2.gz MYTKYJYMARXTDW-FQEVSTJZSA-N 1 0 390.531 4.250 20 0 GIADRO O=C(NC1(c2cccc(F)c2)CCOCC1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000413532847 823793172 /nfs/dbraw/zinc/79/31/72/823793172.db2.gz NVGQVOBTAVYPQM-UHFFFAOYSA-N 1 0 396.506 4.247 20 0 GIADRO Cc1nc2cc(NC(=O)C3(C)CC[NH+](Cc4ccccc4)CC3)ccc2n1C ZINC000164297861 823794251 /nfs/dbraw/zinc/79/42/51/823794251.db2.gz RBVAOGFEENLYOY-UHFFFAOYSA-N 1 0 376.504 4.123 20 0 GIADRO CC(C)(C)n1cc(CNc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)cn1 ZINC000126127181 823794639 /nfs/dbraw/zinc/79/46/39/823794639.db2.gz UEBYOOWXCJUWTO-UHFFFAOYSA-N 1 0 383.540 4.065 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000574667823 823794860 /nfs/dbraw/zinc/79/48/60/823794860.db2.gz YKEKOLIVSSDATG-RVZJWNSFSA-N 1 0 394.302 4.225 20 0 GIADRO C[C@@H]1CN(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)C[C@@H](c2ccsc2)O1 ZINC000164349154 823797701 /nfs/dbraw/zinc/79/77/01/823797701.db2.gz WPCYAYGKRYVABZ-UTKZUKDTSA-N 1 0 399.560 4.016 20 0 GIADRO Fc1ccc(CCN2CCC([NH2+]C[C@@H]3CCO[C@H]3c3ccccc3)CC2)cc1 ZINC000191863845 823798557 /nfs/dbraw/zinc/79/85/57/823798557.db2.gz LJXXNDPIVZSJNA-URXFXBBRSA-N 1 0 382.523 4.200 20 0 GIADRO Cc1cccc(N2CC[NH+](CCC(=O)N[C@H](C)c3ccc(Cl)s3)CC2)c1 ZINC000462023810 823798869 /nfs/dbraw/zinc/79/88/69/823798869.db2.gz ALIXYUBDAXKCRY-MRXNPFEDSA-N 1 0 391.968 4.099 20 0 GIADRO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCCN(c2ccccc2Cl)C1 ZINC000164387871 823800293 /nfs/dbraw/zinc/80/02/93/823800293.db2.gz AZMJEEFCDDBTSD-UZKOGDIHSA-N 1 0 398.982 4.204 20 0 GIADRO [NH3+][C@H]1CCC[C@H](CNC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)C1 ZINC000574684064 823800287 /nfs/dbraw/zinc/80/02/87/823800287.db2.gz VZLDCXMBTVGJEH-WMZOPIPTSA-N 1 0 375.472 4.256 20 0 GIADRO CCOc1c(OC)cc(C/[NH+]=C/c2ccc(N(CC)CC)cc2O)cc1OC ZINC000064367162 823801667 /nfs/dbraw/zinc/80/16/67/823801667.db2.gz WZZZXPATTMVSRQ-HZHRSRAPSA-N 1 0 386.492 4.273 20 0 GIADRO COc1cc(OC)c(C[NH2+][C@H](C)c2ccc(-n3ccnc3C)cc2)c(OC)c1 ZINC000164418054 823802188 /nfs/dbraw/zinc/80/21/88/823802188.db2.gz GPRVFDKZAYLFRF-OAHLLOKOSA-N 1 0 381.476 4.057 20 0 GIADRO CC[NH+]1CCN(c2cccc(NCc3ccc(OC)c(OC(F)F)c3)c2)CC1 ZINC000191883994 823803269 /nfs/dbraw/zinc/80/32/69/823803269.db2.gz YPFIFZFOBIILEB-UHFFFAOYSA-N 1 0 391.462 4.051 20 0 GIADRO Cc1c(C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)cnn1-c1cccc(Cl)c1 ZINC000064381659 823805512 /nfs/dbraw/zinc/80/55/12/823805512.db2.gz YRIOIUKJJWPNNH-UHFFFAOYSA-N 1 0 388.943 4.027 20 0 GIADRO COc1cccc2c1OC[C@H]([NH2+][C@H](C)CC(=O)Nc1ccccc1C(C)C)C2 ZINC000164523937 823807313 /nfs/dbraw/zinc/80/73/13/823807313.db2.gz ZJMODZOLPWFZOM-SJLPKXTDSA-N 1 0 382.504 4.129 20 0 GIADRO C[C@@H](C(=O)NC1CC[NH+](C2CCCCC2)CC1)c1ccc(Br)cc1 ZINC000164530831 823807370 /nfs/dbraw/zinc/80/73/70/823807370.db2.gz PPZMGRSTMQNDCJ-OAHLLOKOSA-N 1 0 393.369 4.466 20 0 GIADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)N[C@@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000462040237 823807618 /nfs/dbraw/zinc/80/76/18/823807618.db2.gz MBFBLECUHFLPOO-XHBKTUGNSA-N 1 0 384.351 4.426 20 0 GIADRO CC[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1ccc(OC)c(OC)c1 ZINC000126187574 823808174 /nfs/dbraw/zinc/80/81/74/823808174.db2.gz RKOUNSQDEOWGBX-YYWHXJBOSA-N 1 0 383.536 4.050 20 0 GIADRO CC[C@@H](c1cccc(OC)c1)N(C)C(=O)Nc1cc(C)nn1C1CC[NH+](C)CC1 ZINC000574721520 823808990 /nfs/dbraw/zinc/80/89/90/823808990.db2.gz MNMLWFHBWWTHFD-FQEVSTJZSA-N 1 0 399.539 4.082 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)N[C@H]1CCc2sc(Cl)cc21 ZINC000462048949 823811555 /nfs/dbraw/zinc/81/15/55/823811555.db2.gz CVYSSYTULWZCBB-INIZCTEOSA-N 1 0 395.931 4.301 20 0 GIADRO C[C@H](C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)c1cccc(Br)c1 ZINC000462050587 823812697 /nfs/dbraw/zinc/81/26/97/823812697.db2.gz RHJDHZDEVQDGAL-MAUKXSAKSA-N 1 0 379.342 4.030 20 0 GIADRO CC1(C(=O)N2CCC(OCC3CCCC3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000164618218 823812729 /nfs/dbraw/zinc/81/27/29/823812729.db2.gz LPMRLLLJSNXHLS-UHFFFAOYSA-N 1 0 398.591 4.487 20 0 GIADRO COc1ccc(OC)c([C@H]2C[C@H]2C(=O)Nc2cccc3c2C[N@H+](CC(C)C)C3)c1 ZINC000191928307 823813791 /nfs/dbraw/zinc/81/37/91/823813791.db2.gz CNYMERYYCWNMSX-UYAOXDASSA-N 1 0 394.515 4.418 20 0 GIADRO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)Nc1ccccc1N1CCc2sccc2C1 ZINC000164644237 823814216 /nfs/dbraw/zinc/81/42/16/823814216.db2.gz YCIQBVGLJVBKFU-ZNXRZULTSA-N 1 0 381.545 4.170 20 0 GIADRO C[N@@H+]1CCC[C@@H]2CN(Cn3cc(C(F)(F)F)cc(Cl)c3=S)CC[C@@H]21 ZINC000164654491 823814584 /nfs/dbraw/zinc/81/45/84/823814584.db2.gz DJWPHUDQKGXNPM-RISCZKNCSA-N 1 0 379.879 4.263 20 0 GIADRO CN(C(=O)NCc1cnccc1C(C)(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000413672444 823814564 /nfs/dbraw/zinc/81/45/64/823814564.db2.gz AEHCZYLRRPCTCL-UHFFFAOYSA-N 1 0 394.563 4.185 20 0 GIADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)Nc2ccc3nc(Cc4ccccc4)oc3c2)C1 ZINC000574739646 823814895 /nfs/dbraw/zinc/81/48/95/823814895.db2.gz WLGIQOLTEQNYKN-IAGOWNOFSA-N 1 0 378.476 4.058 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)Nc2cc(OCC)ccc2OCC)CC1 ZINC000126221242 823815127 /nfs/dbraw/zinc/81/51/27/823815127.db2.gz JUTMESPMDSTVRD-UHFFFAOYSA-N 1 0 391.556 4.460 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)cc1 ZINC000126224323 823815544 /nfs/dbraw/zinc/81/55/44/823815544.db2.gz ZMJGGJCDJSKZJI-AXHZCLLHSA-N 1 0 389.547 4.137 20 0 GIADRO CC[NH+](CC)CCSCC(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 ZINC000462063799 823817419 /nfs/dbraw/zinc/81/74/19/823817419.db2.gz YQYFSFDNIKAZMH-UHFFFAOYSA-N 1 0 388.562 4.076 20 0 GIADRO Cc1noc(C)c1CCN1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000164777276 823819137 /nfs/dbraw/zinc/81/91/37/823819137.db2.gz AEKSMGXKLRNLOC-UHFFFAOYSA-N 1 0 381.442 4.061 20 0 GIADRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCc2cnccc2C(C)(C)C)C1 ZINC000413693632 823819272 /nfs/dbraw/zinc/81/92/72/823819272.db2.gz LQMHVCBZOKFKSL-RBUKOAKNSA-N 1 0 386.584 4.175 20 0 GIADRO C[C@@H]1CCCN(c2cc(C(=O)N3CCC[C@@H](C[N@@H+]4CCCC[C@H]4C)C3)ccn2)C1 ZINC000462075296 823820615 /nfs/dbraw/zinc/82/06/15/823820615.db2.gz FRSKXPAZQZHKCQ-NJYVYQBISA-N 1 0 398.595 4.045 20 0 GIADRO CC(C)c1nn(CN2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c(=S)n1C ZINC000164817411 823821227 /nfs/dbraw/zinc/82/12/27/823821227.db2.gz SZPJUFLRCFAQEB-UXHICEINSA-N 1 0 399.608 4.018 20 0 GIADRO Cn1cc(-c2ccccc2C[NH2+]Cc2c(F)cccc2OC(F)(F)F)cn1 ZINC000574775605 823823677 /nfs/dbraw/zinc/82/36/77/823823677.db2.gz AILNXHSGAKUZLA-UHFFFAOYSA-N 1 0 379.357 4.415 20 0 GIADRO FC(F)(F)c1ccc(-c2nc(C[N@@H+]3CCC[C@H](c4cc[nH]n4)C3)co2)cc1 ZINC000164900662 823824798 /nfs/dbraw/zinc/82/47/98/823824798.db2.gz GIEDCJAOTJSRAH-AWEZNQCLSA-N 1 0 376.382 4.463 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)/C=C/c1cccs1 ZINC000064470711 823825040 /nfs/dbraw/zinc/82/50/40/823825040.db2.gz CGTRVLFDLDTUJR-MDZDMXLPSA-N 1 0 382.451 4.371 20 0 GIADRO Cc1ccc(C[NH2+]CC2(c3ccc(F)cc3)CCOCC2)c(-c2cnn(C)c2)c1 ZINC000574782993 823825104 /nfs/dbraw/zinc/82/51/04/823825104.db2.gz LALGKMTXCYHHNO-UHFFFAOYSA-N 1 0 393.506 4.373 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cc2ccccc2[nH]1 ZINC000064470741 823825219 /nfs/dbraw/zinc/82/52/19/823825219.db2.gz VZXVIJXVUGJVBF-UHFFFAOYSA-N 1 0 389.421 4.391 20 0 GIADRO CCOc1cc2c(cc1NC(=O)c1cccc(C[NH+]3CCCCC3)c1)OCCO2 ZINC000413724624 823825887 /nfs/dbraw/zinc/82/58/87/823825887.db2.gz NDSHDBMYCKYMOV-UHFFFAOYSA-N 1 0 396.487 4.095 20 0 GIADRO Cc1csc(N2CCC([NH2+]C[C@@H]3CCCN(C)[C@@H]3c3cccs3)CC2)n1 ZINC000164958444 823826742 /nfs/dbraw/zinc/82/67/42/823826742.db2.gz WCYUYICBMSBLSH-LPHOPBHVSA-N 1 0 390.622 4.155 20 0 GIADRO CC(C)Oc1cccc(C[N@@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000064481533 823827871 /nfs/dbraw/zinc/82/78/71/823827871.db2.gz DHHUPWHRLNJZKS-UHFFFAOYSA-N 1 0 386.923 4.475 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)c1 ZINC000164983761 823828768 /nfs/dbraw/zinc/82/87/68/823828768.db2.gz IJWGHNJBWGADCF-MRXNPFEDSA-N 1 0 391.471 4.019 20 0 GIADRO COCCN1CCC([NH2+]Cc2ccc(OC(C)(C)C)cc2C(F)(F)F)CC1 ZINC000462107858 823829541 /nfs/dbraw/zinc/82/95/41/823829541.db2.gz BGGNWVJHLGLJDH-UHFFFAOYSA-N 1 0 388.474 4.083 20 0 GIADRO O=C(NCc1ccco1)c1cccc(C[NH2+][C@H]2CCCOc3ccccc32)c1 ZINC000165018757 823830274 /nfs/dbraw/zinc/83/02/74/823830274.db2.gz VUOFOVAYGLFVRK-NRFANRHFSA-N 1 0 376.456 4.213 20 0 GIADRO COc1cccc([C@@H](CNC(=O)Nc2ccc3nc(C)oc3c2)[NH+]2CCCC2)c1 ZINC000126287095 823830549 /nfs/dbraw/zinc/83/05/49/823830549.db2.gz YXAOBTOLAZXFQL-HXUWFJFHSA-N 1 0 394.475 4.103 20 0 GIADRO CC[C@H](C)Oc1ccc(C(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000126286916 823830627 /nfs/dbraw/zinc/83/06/27/823830627.db2.gz PEJFOZOLQZZJSI-SFHVURJKSA-N 1 0 381.520 4.248 20 0 GIADRO C[C@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1cccc(Br)c1 ZINC000462110953 823830686 /nfs/dbraw/zinc/83/06/86/823830686.db2.gz HQCALMAQTGMNFR-MAUKXSAKSA-N 1 0 379.342 4.030 20 0 GIADRO C[C@@H](C(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)[C@H](C)[NH3+] ZINC000191992665 823832290 /nfs/dbraw/zinc/83/22/90/823832290.db2.gz WXVGMPURHZRPMP-CVEARBPZSA-N 1 0 396.922 4.134 20 0 GIADRO CC1(C(=O)N2CCc3c(F)cc(F)cc3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000165050182 823832381 /nfs/dbraw/zinc/83/23/81/823832381.db2.gz RWMFQTNXZXMSRS-UHFFFAOYSA-N 1 0 384.470 4.152 20 0 GIADRO C[C@@H](C[C@H](O)c1ccc(F)cc1)NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000165062147 823832671 /nfs/dbraw/zinc/83/26/71/823832671.db2.gz DEYPJZVEIWLTIM-AVRDEDQJSA-N 1 0 398.522 4.056 20 0 GIADRO C[C@@H]1CCn2ncc(C(=O)Nc3ccccc3C[N@H+](C)C3CCCCC3)c2C1 ZINC000574811925 823833250 /nfs/dbraw/zinc/83/32/50/823833250.db2.gz LOJZZUOBDBQMRT-QGZVFWFLSA-N 1 0 380.536 4.482 20 0 GIADRO C[C@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)c1ccc(F)c(Br)c1 ZINC000165092170 823833801 /nfs/dbraw/zinc/83/38/01/823833801.db2.gz PETHSAKSGDWRJK-ZDUSSCGKSA-N 1 0 393.300 4.183 20 0 GIADRO C[C@H](CNC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1)CC(F)(F)F ZINC000413751543 823833747 /nfs/dbraw/zinc/83/37/47/823833747.db2.gz UZCSCCOIHUMQMK-ZDUSSCGKSA-N 1 0 379.854 4.002 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc3c(C)nn(-c4ccccc4C)c3s2)C1 ZINC000165088507 823833867 /nfs/dbraw/zinc/83/38/67/823833867.db2.gz DWTMKEUQPXXAJR-KRWDZBQOSA-N 1 0 396.560 4.118 20 0 GIADRO C[C@@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)c1ccc(F)c(Br)c1 ZINC000165092290 823833954 /nfs/dbraw/zinc/83/39/54/823833954.db2.gz PETHSAKSGDWRJK-CYBMUJFWSA-N 1 0 393.300 4.183 20 0 GIADRO C[C@@H](NC(=O)NOCc1ccc(C(F)(F)F)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000165111417 823834742 /nfs/dbraw/zinc/83/47/42/823834742.db2.gz PHXGDBHYVPRCAJ-ZBFHGGJFSA-N 1 0 399.457 4.089 20 0 GIADRO O=C(c1cccc(C[NH+]2CCCC2)c1)N1CCCCC[C@H]1[C@@H]1CCCCC1=O ZINC000126305690 823835009 /nfs/dbraw/zinc/83/50/09/823835009.db2.gz IQSATDWHQLEKHM-VXKWHMMOSA-N 1 0 382.548 4.427 20 0 GIADRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cc(-c2ccccc2F)on1 ZINC000064521724 823835310 /nfs/dbraw/zinc/83/53/10/823835310.db2.gz NIRUCHQIFLCSIA-HNNXBMFYSA-N 1 0 399.491 4.184 20 0 GIADRO COc1cccc(COc2cccc(NC(=O)N(C)CC[NH+]3CCCC3)c2C)c1 ZINC000165150469 823836139 /nfs/dbraw/zinc/83/61/39/823836139.db2.gz QHDDLQFUCRFINJ-UHFFFAOYSA-N 1 0 397.519 4.142 20 0 GIADRO CCN(C(=O)NC1CCC(COC)CC1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000413766513 823837466 /nfs/dbraw/zinc/83/74/66/823837466.db2.gz FLHKPJRVFQHFGF-ATHYDTBRSA-N 1 0 387.568 4.059 20 0 GIADRO CC[C@@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)c1ccccc1Br ZINC000165193326 823838862 /nfs/dbraw/zinc/83/88/62/823838862.db2.gz LRTOHBIBDVPTCZ-LJQANCHMSA-N 1 0 389.337 4.434 20 0 GIADRO CC(C)OCc1cccc(NC(=O)NCCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000064544106 823840176 /nfs/dbraw/zinc/84/01/76/823840176.db2.gz IMXZZKDBYBPQHV-UHFFFAOYSA-N 1 0 381.520 4.182 20 0 GIADRO CCn1c(-c2cccc(C)c2)nn(CN2CC[NH+](C3CCCCC3)CC2)c1=S ZINC000165221950 823840268 /nfs/dbraw/zinc/84/02/68/823840268.db2.gz YAHHNTZSSUFXPS-UHFFFAOYSA-N 1 0 399.608 4.317 20 0 GIADRO CSc1cccc(NC(=O)C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)c1 ZINC000192038177 823840449 /nfs/dbraw/zinc/84/04/49/823840449.db2.gz NRMULGUCKJNNTB-MJGOQNOKSA-N 1 0 376.909 4.120 20 0 GIADRO CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCCNc3ccccc32)cc1C(F)(F)F ZINC000574844832 823840856 /nfs/dbraw/zinc/84/08/56/823840856.db2.gz ZGNYCEXNANHMOP-QGZVFWFLSA-N 1 0 398.450 4.146 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CCc2c[nH]c3cccc(C)c23)cc1 ZINC000165250483 823841440 /nfs/dbraw/zinc/84/14/40/823841440.db2.gz PFRYIHCCCFVOFP-INIZCTEOSA-N 1 0 385.533 4.131 20 0 GIADRO Brc1cccc2[nH]cc(CC[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCC4)c21 ZINC000574846769 823841629 /nfs/dbraw/zinc/84/16/29/823841629.db2.gz ASLBLDHMTPLZMG-XWIAVFTESA-N 1 0 375.310 4.020 20 0 GIADRO Cc1cc(NC(=O)N2[C@H](C)C[C@H](c3ccccc3)[C@H]2C)n(C2CC[NH+](C)CC2)n1 ZINC000574848995 823841927 /nfs/dbraw/zinc/84/19/27/823841927.db2.gz HMFMYOSVSYHWLN-OPYAIIAOSA-N 1 0 395.551 4.257 20 0 GIADRO Cc1oc(NC(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)nc1C1CC1 ZINC000574852270 823843465 /nfs/dbraw/zinc/84/34/65/823843465.db2.gz QGIIWXAPIADPIP-UHFFFAOYSA-N 1 0 394.519 4.380 20 0 GIADRO CC[C@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@H](CNC(=O)C(C)C)C1 ZINC000126341902 823843964 /nfs/dbraw/zinc/84/39/64/823843964.db2.gz RORVVNMRJLXKKI-CRAIPNDOSA-N 1 0 381.358 4.384 20 0 GIADRO C[C@H](N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1)c1noc(Cc2ccccc2)n1 ZINC000165346163 823844523 /nfs/dbraw/zinc/84/45/23/823844523.db2.gz RFURGEZOVCLDFR-ROUUACIJSA-N 1 0 394.519 4.013 20 0 GIADRO C[C@@H](NCc1ccnc(OCC(F)(F)F)c1)c1ccc(Br)cn1 ZINC000574857120 823844859 /nfs/dbraw/zinc/84/48/59/823844859.db2.gz WFSNKHQHACYREF-SNVBAGLBSA-N 1 0 390.203 4.031 20 0 GIADRO Cc1noc(-c2ccccc2)c1NC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000126346622 823845230 /nfs/dbraw/zinc/84/52/30/823845230.db2.gz MXJMPEDLOKAMTJ-QAPCUYQASA-N 1 0 382.508 4.425 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)Nc2ccc3c(c2)CCCN3C)cc1 ZINC000064562137 823845390 /nfs/dbraw/zinc/84/53/90/823845390.db2.gz FQIFMJDJFBXHPJ-UHFFFAOYSA-N 1 0 380.536 4.233 20 0 GIADRO CCCC(=O)Nc1cccc(NC(=O)N2CC[NH+](C3CCCCC3)CC2)c1C ZINC000165364605 823845549 /nfs/dbraw/zinc/84/55/49/823845549.db2.gz RYYVLMNBIQWZAY-UHFFFAOYSA-N 1 0 386.540 4.216 20 0 GIADRO COCCOc1ccc([C@@H](C)[NH2+]C2CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000165361205 823845567 /nfs/dbraw/zinc/84/55/67/823845567.db2.gz NSDZGHAODJNOPF-GOSISDBHSA-N 1 0 386.511 4.166 20 0 GIADRO COCCOc1ccc([C@H](C)[NH2+]C2CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000165361097 823845640 /nfs/dbraw/zinc/84/56/40/823845640.db2.gz NSDZGHAODJNOPF-SFHVURJKSA-N 1 0 386.511 4.166 20 0 GIADRO CSc1ccc(NC(=O)C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)cc1 ZINC000192058233 823846706 /nfs/dbraw/zinc/84/67/06/823846706.db2.gz XKLLNSDJCBONEH-MJGOQNOKSA-N 1 0 376.909 4.120 20 0 GIADRO C[C@H](NC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)c1noc(Cc2ccccc2)n1 ZINC000165397794 823847637 /nfs/dbraw/zinc/84/76/37/823847637.db2.gz ZDRIXHFTEILASV-LVCYWYKZSA-N 1 0 382.552 4.354 20 0 GIADRO COc1cccc(OC)c1Oc1ccc(C[NH2+][C@@H](C)c2cncc(F)c2)cn1 ZINC000165435122 823848920 /nfs/dbraw/zinc/84/89/20/823848920.db2.gz RFBIVSKEQGLMKX-AWEZNQCLSA-N 1 0 383.423 4.276 20 0 GIADRO CCOc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000192066623 823849066 /nfs/dbraw/zinc/84/90/66/823849066.db2.gz XFUIFAJPPKLCOI-VHKYSDTDSA-N 1 0 388.895 4.186 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cccc(Oc2ccncc2)c1 ZINC000462161599 823849675 /nfs/dbraw/zinc/84/96/75/823849675.db2.gz YMTVURCILCSSGP-WZONZLPQSA-N 1 0 387.483 4.124 20 0 GIADRO COc1cc(OC)c([C@H](C)[NH2+][C@H](C)c2ccc(NC(N)=O)cc2)cc1Cl ZINC000165469946 823849866 /nfs/dbraw/zinc/84/98/66/823849866.db2.gz OHXLASITCFOGMR-NEPJUHHUSA-N 1 0 377.872 4.260 20 0 GIADRO COc1ccc(Cc2nc(C)c([C@H](C)[NH2+]CC[C@H](O)C(C)C)s2)cc1OC ZINC000165458998 823849945 /nfs/dbraw/zinc/84/99/45/823849945.db2.gz AGMAIGABYKXKOQ-YOEHRIQHSA-N 1 0 392.565 4.117 20 0 GIADRO C[C@H]1CC[NH2+][C@@H](C(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)C1 ZINC000574879504 823850003 /nfs/dbraw/zinc/85/00/03/823850003.db2.gz CBSQLUHAILERNV-BLLLJJGKSA-N 1 0 377.941 4.044 20 0 GIADRO C[C@H]1CC[NH2+][C@H](C(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)C1 ZINC000574879510 823850265 /nfs/dbraw/zinc/85/02/65/823850265.db2.gz CBSQLUHAILERNV-LRDDRELGSA-N 1 0 377.941 4.044 20 0 GIADRO O=C(N[C@H]1CC[C@H](Nc2ccccn2)CC1)[C@H]1C[C@]12CCCc1ccccc12 ZINC000574885310 823851533 /nfs/dbraw/zinc/85/15/33/823851533.db2.gz NSNMYYYVKJMIQJ-ZRXZBVFWSA-N 1 0 375.516 4.215 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(Oc2cccnc2)cc1 ZINC000462168396 823851674 /nfs/dbraw/zinc/85/16/74/823851674.db2.gz XYVCSHPERQBLNK-FDDCHVKYSA-N 1 0 387.483 4.124 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)C(=O)Nc1ccc(F)cc1F ZINC000192076255 823851759 /nfs/dbraw/zinc/85/17/59/823851759.db2.gz UUMBGNBKHSLPAT-UFMUVLMGSA-N 1 0 398.812 4.204 20 0 GIADRO CN(C(=O)[C@H]1CC(C)(C)Oc2ccccc21)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000413861110 823851862 /nfs/dbraw/zinc/85/18/62/823851862.db2.gz NIUVBKDPDXPDOM-KRWDZBQOSA-N 1 0 398.469 4.207 20 0 GIADRO CN(C(=O)[C@@H]1CC(C)(C)Oc2ccccc21)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000413861111 823852130 /nfs/dbraw/zinc/85/21/30/823852130.db2.gz NIUVBKDPDXPDOM-QGZVFWFLSA-N 1 0 398.469 4.207 20 0 GIADRO COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000574889330 823852501 /nfs/dbraw/zinc/85/25/01/823852501.db2.gz WTUPVZBQOFGLPZ-OAHLLOKOSA-N 1 0 390.911 4.110 20 0 GIADRO CCc1ccccc1NC(=O)C[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000192076906 823852526 /nfs/dbraw/zinc/85/25/26/823852526.db2.gz UUVFLOWOIRRSKR-ICSRJNTNSA-N 1 0 376.859 4.100 20 0 GIADRO CCc1ccccc1NC(=O)C[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000192076899 823852570 /nfs/dbraw/zinc/85/25/70/823852570.db2.gz UUVFLOWOIRRSKR-QUCCMNQESA-N 1 0 376.859 4.100 20 0 GIADRO O=C(CC[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)Nc1ccc(F)cc1 ZINC000192077184 823852830 /nfs/dbraw/zinc/85/28/30/823852830.db2.gz BCZHTQHPEPEBJG-MJGOQNOKSA-N 1 0 380.822 4.067 20 0 GIADRO O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)N[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000462172899 823853331 /nfs/dbraw/zinc/85/33/31/823853331.db2.gz ZHYBZGZDAXWLTK-VJBWXMMDSA-N 1 0 399.579 4.251 20 0 GIADRO CC(=O)Nc1ccc(CC[NH2+][C@H](C)c2cnn(-c3ccc(F)cc3)c2C)cc1 ZINC000165614576 823855449 /nfs/dbraw/zinc/85/54/49/823855449.db2.gz RKAQUMSJEMCMLG-OAHLLOKOSA-N 1 0 380.467 4.172 20 0 GIADRO COc1ccc(C[N@H+](CC(=O)NCC2(c3ccccc3)CC2)[C@H](C)C2CC2)cc1 ZINC000064641433 823856202 /nfs/dbraw/zinc/85/62/02/823856202.db2.gz ORKFDZKVUFCRSX-LJQANCHMSA-N 1 0 392.543 4.144 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)C(=O)Nc1ccc(F)c(F)c1 ZINC000192088172 823856339 /nfs/dbraw/zinc/85/63/39/823856339.db2.gz VPEXRQGQLGCFLT-UFMUVLMGSA-N 1 0 398.812 4.204 20 0 GIADRO CN(Cc1ccc(F)c(F)c1)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000064644565 823856829 /nfs/dbraw/zinc/85/68/29/823856829.db2.gz APGMAXAHVDJYDZ-INIZCTEOSA-N 1 0 393.503 4.080 20 0 GIADRO CC(C)(C)C(=O)N1CCC(C[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000192091492 823857150 /nfs/dbraw/zinc/85/71/50/823857150.db2.gz WNLMSGZDCCWEPJ-RTBURBONSA-N 1 0 396.934 4.183 20 0 GIADRO CC(C)[C@H](Oc1ccc(Cl)cc1)C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000462181727 823857627 /nfs/dbraw/zinc/85/76/27/823857627.db2.gz QRGSARPHWHJYPS-XLIONFOSSA-N 1 0 378.944 4.078 20 0 GIADRO COc1ccccc1N1CCC([NH2+]Cc2ccc(C)cc2-c2cnn(C)c2)CC1 ZINC000574904918 823857901 /nfs/dbraw/zinc/85/79/01/823857901.db2.gz VKUVNZQPDLWUOK-UHFFFAOYSA-N 1 0 390.531 4.163 20 0 GIADRO CCc1nc2c(s1)[C@@H]([NH2+]CCCc1nnc(SC)n1CC(C)C)CCC2 ZINC000165675603 823858279 /nfs/dbraw/zinc/85/82/79/823858279.db2.gz CUVUOZYVUVZPRV-AWEZNQCLSA-N 1 0 393.626 4.275 20 0 GIADRO Fc1cc([C@@H]2OCC[C@H]2[NH2+]CCOCC(F)(F)C(F)(F)F)ccc1Cl ZINC000192097323 823858837 /nfs/dbraw/zinc/85/88/37/823858837.db2.gz IZORUFXALDWHAN-OLZOCXBDSA-N 1 0 391.739 4.113 20 0 GIADRO CCN(C(=O)NCC(C)(C)c1cccnc1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000413887673 823859529 /nfs/dbraw/zinc/85/95/29/823859529.db2.gz JEDMMQPVHBAYNS-KNQAVFIVSA-N 1 0 394.563 4.226 20 0 GIADRO CC[C@H]([NH2+][C@H]1CCCc2nc(C)sc21)c1ccccc1OCC(=O)N(C)C ZINC000165697994 823860067 /nfs/dbraw/zinc/86/00/67/823860067.db2.gz RBDUJMTZLNQRMY-WMZOPIPTSA-N 1 0 387.549 4.037 20 0 GIADRO CC(C)c1ccc([C@H](C[NH2+][C@H](C)[C@@H]2CCOC2)NC(=O)OC(C)(C)C)cc1 ZINC000165703994 823860211 /nfs/dbraw/zinc/86/02/11/823860211.db2.gz IDQNEMTZJFRVPL-AHRSYUTCSA-N 1 0 376.541 4.390 20 0 GIADRO Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000192102862 823860662 /nfs/dbraw/zinc/86/06/62/823860662.db2.gz RXIVMGZGPYUYCO-APWZRJJASA-N 1 0 397.277 4.499 20 0 GIADRO Cc1ccc2c(CCC(=O)N[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C)c[nH]c2c1 ZINC000462189089 823861294 /nfs/dbraw/zinc/86/12/94/823861294.db2.gz PAZSWJMUERRTGY-WZONZLPQSA-N 1 0 375.516 4.046 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CC2)c(F)c1 ZINC000413896325 823861880 /nfs/dbraw/zinc/86/18/80/823861880.db2.gz BSHOUOOBEIVZHM-UHFFFAOYSA-N 1 0 376.859 4.090 20 0 GIADRO CC[C@H](Sc1ccccc1)C(=O)Nc1ccc(OCC[NH+](C)C)cc1F ZINC000413901304 823862762 /nfs/dbraw/zinc/86/27/62/823862762.db2.gz MTHNKGQGXJFMCC-IBGZPJMESA-N 1 0 376.497 4.276 20 0 GIADRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccc(F)cc1Cl ZINC000574932434 823862993 /nfs/dbraw/zinc/86/29/93/823862993.db2.gz KCMPXCCDKBJDCA-CDHQVMDDSA-N 1 0 390.886 4.359 20 0 GIADRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc(F)cc1Cl ZINC000574932437 823863166 /nfs/dbraw/zinc/86/31/66/823863166.db2.gz KCMPXCCDKBJDCA-UIAACRFSSA-N 1 0 390.886 4.359 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)CSc2ccccc2Cl)c(F)c1 ZINC000413902958 823863316 /nfs/dbraw/zinc/86/33/16/823863316.db2.gz PTFQKNMKKAEJAG-UHFFFAOYSA-N 1 0 382.888 4.150 20 0 GIADRO CC[NH+](CC)[C@H](C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000462192902 823863356 /nfs/dbraw/zinc/86/33/56/823863356.db2.gz QKVRXNFFZWYQED-QRVBRYPASA-N 1 0 398.469 4.162 20 0 GIADRO CCC(CC)[C@@H]1C[C@H](NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000165837749 823863689 /nfs/dbraw/zinc/86/36/89/823863689.db2.gz FHTGHRGKOWEPBU-YADHBBJMSA-N 1 0 386.580 4.389 20 0 GIADRO Cc1cccc(C(C)C)c1NC(=O)C[NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192112519 823864306 /nfs/dbraw/zinc/86/43/06/823864306.db2.gz GIHKFKKOTLLHIH-DENIHFKCSA-N 1 0 388.458 4.455 20 0 GIADRO COc1ccc([C@@H](CNC(=O)C2(c3cccc(C)c3)CC2)[NH+]2CCCCC2)cc1 ZINC000064692353 823865321 /nfs/dbraw/zinc/86/53/21/823865321.db2.gz FPOVSFMQAUMORT-HSZRJFAPSA-N 1 0 392.543 4.379 20 0 GIADRO COc1ccccc1CN(C)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000574939623 823865333 /nfs/dbraw/zinc/86/53/33/823865333.db2.gz YJTQNOPPTPNWSI-GOSISDBHSA-N 1 0 381.520 4.062 20 0 GIADRO Cc1ccc(C[NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)c(OC(C)(C)C)c1 ZINC000165920118 823865919 /nfs/dbraw/zinc/86/59/19/823865919.db2.gz WVHGAGPLBWPTMW-MRXNPFEDSA-N 1 0 375.534 4.427 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1cc2c(s1)CCCCC2 ZINC000126439741 823867815 /nfs/dbraw/zinc/86/78/15/823867815.db2.gz GWVMCMIZKPXKLK-UHFFFAOYSA-N 1 0 383.561 4.401 20 0 GIADRO COc1ccc([C@H](C)CC[NH2+][C@@H](C)CC(=O)Nc2cccnc2Cl)cc1 ZINC000166057816 823869140 /nfs/dbraw/zinc/86/91/40/823869140.db2.gz PVAFQTATGUXULB-CABCVRRESA-N 1 0 375.900 4.244 20 0 GIADRO CCSc1cc(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)ccn1 ZINC000064711301 823869182 /nfs/dbraw/zinc/86/91/82/823869182.db2.gz YGAPYRANXWJSIR-UHFFFAOYSA-N 1 0 389.952 4.241 20 0 GIADRO Cc1ccc(-c2csc3ncnc(NCCN4CC[N@@H+](C)C(C)(C)C4)c23)cc1 ZINC000574955353 823870635 /nfs/dbraw/zinc/87/06/35/823870635.db2.gz VQZDLBWADMHLBX-UHFFFAOYSA-N 1 0 395.576 4.105 20 0 GIADRO C[C@H](CCNC(=O)NCc1ccc(C(F)F)cc1)[N@H+](C)Cc1ccccc1 ZINC000462209520 823872555 /nfs/dbraw/zinc/87/25/55/823872555.db2.gz KUZPLIBHXMHWOG-MRXNPFEDSA-N 1 0 375.463 4.334 20 0 GIADRO CSc1nc(C(C)(C)C)nc(C)c1C(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000413940661 823872659 /nfs/dbraw/zinc/87/26/59/823872659.db2.gz SNCXMZBQXHGRCO-UHFFFAOYSA-N 1 0 390.528 4.257 20 0 GIADRO Cc1nc2ccccc2c(C)c1CC(=O)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000064725720 823872642 /nfs/dbraw/zinc/87/26/42/823872642.db2.gz KVKPLZJIIYQNFC-QKLQHJQFSA-N 1 0 379.548 4.258 20 0 GIADRO CCOc1ccc(SCC(=O)N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)cc1 ZINC000064726288 823872737 /nfs/dbraw/zinc/87/27/37/823872737.db2.gz MVAMIFGBLWUBIJ-FGTMMUONSA-N 1 0 376.566 4.041 20 0 GIADRO CCOC(=O)c1ccn(-c2cccc(C[NH2+]Cc3cccc(Cl)c3F)c2)n1 ZINC000574962117 823873498 /nfs/dbraw/zinc/87/34/98/823873498.db2.gz QDDGQHGEJYVPCD-UHFFFAOYSA-N 1 0 387.842 4.131 20 0 GIADRO Cc1c2cc(F)ccc2sc1C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000064731113 823873509 /nfs/dbraw/zinc/87/35/09/823873509.db2.gz JXSNDJXFRGLMOZ-UHFFFAOYSA-N 1 0 386.492 4.219 20 0 GIADRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@H](C)Oc1cccc(F)c1 ZINC000126461937 823873708 /nfs/dbraw/zinc/87/37/08/823873708.db2.gz JBLCEIWRTSYSMI-INIZCTEOSA-N 1 0 388.508 4.089 20 0 GIADRO Cc1cccc(C)c1NC(=O)CCC[NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192137483 823874962 /nfs/dbraw/zinc/87/49/62/823874962.db2.gz ZLFUUUIPVGZCNA-SIKLNZKXSA-N 1 0 388.458 4.420 20 0 GIADRO C[C@@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)[N@@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000126465755 823875046 /nfs/dbraw/zinc/87/50/46/823875046.db2.gz PLVZESTVAFENPE-NWDGAFQWSA-N 1 0 397.306 4.082 20 0 GIADRO COc1cc(OC)c([C@@H](C)[NH2+]Cc2ccc(-n3ccnc3C)nc2)cc1Cl ZINC000126466241 823875111 /nfs/dbraw/zinc/87/51/11/823875111.db2.gz MDDAEHDJFXMPBC-CYBMUJFWSA-N 1 0 386.883 4.097 20 0 GIADRO Cc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(C(=O)NC[C@H]3CCCO3)c1)CCC2 ZINC000166312444 823875418 /nfs/dbraw/zinc/87/54/18/823875418.db2.gz UIDCDBSOFKTTSA-FYYLOGMGSA-N 1 0 378.516 4.071 20 0 GIADRO COc1cccc(CN(CC[NH+](C)C)C(=O)Nc2ccc(COC(C)C)cc2)c1 ZINC000192138661 823875606 /nfs/dbraw/zinc/87/56/06/823875606.db2.gz PILZITKXTKLPJY-UHFFFAOYSA-N 1 0 399.535 4.216 20 0 GIADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)CCCOc2ccc(Cl)cc2)C1 ZINC000064735930 823875818 /nfs/dbraw/zinc/87/58/18/823875818.db2.gz FRDDTGKHFQRROW-ZIFCJYIRSA-N 1 0 378.944 4.363 20 0 GIADRO CC[C@H](C)n1ncc(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1C1CC1 ZINC000126468574 823876406 /nfs/dbraw/zinc/87/64/06/823876406.db2.gz STBWCFPAFUBELU-ICSRJNTNSA-N 1 0 394.563 4.026 20 0 GIADRO COc1ccccc1CC(=O)N1CCC([NH2+][C@H]2CCCc3ccc(C)cc32)CC1 ZINC000166413403 823877386 /nfs/dbraw/zinc/87/73/86/823877386.db2.gz XDOPRTIMIWNHGH-QHCPKHFHSA-N 1 0 392.543 4.204 20 0 GIADRO Clc1ccc(CC[N@@H+]2CCCC[C@H]2c2nnc(C3CCOCC3)o2)cc1 ZINC000574974999 823877633 /nfs/dbraw/zinc/87/76/33/823877633.db2.gz PNJRVPQIIUMYFH-SFHVURJKSA-N 1 0 375.900 4.387 20 0 GIADRO CSc1cccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000192143464 823878426 /nfs/dbraw/zinc/87/84/26/823878426.db2.gz RVTUGQATJJIGRM-GESALYCCSA-N 1 0 392.471 4.134 20 0 GIADRO C[C@@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1O)c1ccc(OC(F)F)cc1OC(F)F ZINC000166634967 823879952 /nfs/dbraw/zinc/87/99/52/823879952.db2.gz FVZGIBQQAFSVJM-TYFHEEPYSA-N 1 0 385.357 4.198 20 0 GIADRO O=C(c1cc(C2CC2)nc2ccc(Cl)cc21)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000574987026 823880188 /nfs/dbraw/zinc/88/01/88/823880188.db2.gz ALHQBLSNUUNTLZ-JKSUJKDBSA-N 1 0 383.923 4.227 20 0 GIADRO Cc1c(-c2nc([C@@H]([NH3+])CC(C)C)no2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000574988970 823880310 /nfs/dbraw/zinc/88/03/10/823880310.db2.gz XTUYADJBDBMYIB-HNNXBMFYSA-N 1 0 379.386 4.295 20 0 GIADRO COc1cccc2c1CCC[C@H]2[NH2+][C@H](CO)c1ccccc1OC(F)(F)F ZINC000574989887 823881048 /nfs/dbraw/zinc/88/10/48/823881048.db2.gz LXFTVUCUGAXSOA-IAGOWNOFSA-N 1 0 381.394 4.294 20 0 GIADRO COc1cc([C@H](C)[NH2+]C[C@H]2CC3(CCC3)C(=O)O2)ccc1OCc1ccccc1 ZINC000192151095 823881340 /nfs/dbraw/zinc/88/13/40/823881340.db2.gz DCSAYYXCCXLQQF-FXAWDEMLSA-N 1 0 395.499 4.411 20 0 GIADRO Fc1ccc(-n2ccc(CC[NH2+][C@@H](C[C@H]3CCOC3)c3ccccc3)n2)cc1 ZINC000166723710 823882037 /nfs/dbraw/zinc/88/20/37/823882037.db2.gz GBFXHARSACUEKR-JPYJTQIMSA-N 1 0 379.479 4.311 20 0 GIADRO Cc1cccc([C@H]2CCCN2C(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)n1 ZINC000166734867 823882379 /nfs/dbraw/zinc/88/23/79/823882379.db2.gz UJYCPTIHRBCWFN-SIKLNZKXSA-N 1 0 381.495 4.105 20 0 GIADRO C[NH+](C)CCCC1CCN(C(=O)NC[C@H](Cc2ccccc2)C(F)(F)F)CC1 ZINC000462227109 823882378 /nfs/dbraw/zinc/88/23/78/823882378.db2.gz SQGYULQFIYYFQT-IBGZPJMESA-N 1 0 399.501 4.171 20 0 GIADRO COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]C[C@H]2CC3(CCC3)C(=O)O2)cc1 ZINC000192153944 823882876 /nfs/dbraw/zinc/88/28/76/823882876.db2.gz SXLGNFOWKUVRSX-RTWAWAEBSA-N 1 0 383.463 4.194 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1-c1noc(-c2cn(C(C)C)nc2C)n1 ZINC000575002335 823884103 /nfs/dbraw/zinc/88/41/03/823884103.db2.gz GFYDSFSPJAITHE-UHFFFAOYSA-N 1 0 383.496 4.210 20 0 GIADRO CC(C)CN(C(=O)c1csc(-c2ccccc2F)n1)C1CC[NH+](C)CC1 ZINC000126502318 823885105 /nfs/dbraw/zinc/88/51/05/823885105.db2.gz MOSPLHOIHPYVCQ-UHFFFAOYSA-N 1 0 375.513 4.142 20 0 GIADRO CCc1noc(CC)c1C[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000167004827 823885404 /nfs/dbraw/zinc/88/54/04/823885404.db2.gz IHSDKRAMMUGHRO-UHFFFAOYSA-N 1 0 379.907 4.346 20 0 GIADRO CC(C)c1ccc(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)cn1 ZINC000126507503 823886600 /nfs/dbraw/zinc/88/66/00/823886600.db2.gz UBMXJYGPSDRTOO-UHFFFAOYSA-N 1 0 384.499 4.127 20 0 GIADRO Cc1ccc(CNC2CC[NH+](C3CCCCC3)CC2)c(OC[C@H]2CCOC2)c1 ZINC000167163506 823887742 /nfs/dbraw/zinc/88/77/42/823887742.db2.gz BNTWJTPVHNWFKB-FQEVSTJZSA-N 1 0 386.580 4.297 20 0 GIADRO Clc1cc(C[NH2+]Cc2ccc(N3CCCC3)nc2)ccc1Br ZINC000192165728 823888619 /nfs/dbraw/zinc/88/86/19/823888619.db2.gz VNLUFVZNYKZPRJ-UHFFFAOYSA-N 1 0 380.717 4.388 20 0 GIADRO Cc1ccc(C[NH2+][C@H](C)c2ccc3c(c2)OCCO3)c(OC[C@@H]2CCOC2)c1 ZINC000167194958 823888881 /nfs/dbraw/zinc/88/88/81/823888881.db2.gz FDFCJNUDTTUICE-QZTJIDSGSA-N 1 0 383.488 4.032 20 0 GIADRO COc1ccc([C@H](C)[NH2+]Cc2ccc(C)cc2OC[C@H]2CCOC2)c(OC)c1 ZINC000167210429 823888938 /nfs/dbraw/zinc/88/89/38/823888938.db2.gz WXWQCQUAUXVSMB-ROUUACIJSA-N 1 0 385.504 4.278 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(Br)c(Cl)c1)c1ccc(NC(N)=O)cc1 ZINC000192167635 823889212 /nfs/dbraw/zinc/88/92/12/823889212.db2.gz PTKFGOQMVVRLMS-SNVBAGLBSA-N 1 0 382.689 4.444 20 0 GIADRO COCCCOc1cc(C)ccc1C[NH2+][C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000167233162 823889615 /nfs/dbraw/zinc/88/96/15/823889615.db2.gz OPNSUEPSLVMOIZ-QGZVFWFLSA-N 1 0 396.531 4.491 20 0 GIADRO COc1ccc2oc(CNc3cccc(C[NH+]4CCC(CO)CC4)c3)cc2c1 ZINC000126524935 823890343 /nfs/dbraw/zinc/89/03/43/823890343.db2.gz QFQCIDIZMXZGQV-UHFFFAOYSA-N 1 0 380.488 4.258 20 0 GIADRO COc1ccc(NC(=O)[C@@H]([NH3+])CC(C)C)cc1OCc1ccc2ccccc2n1 ZINC000167457580 823892079 /nfs/dbraw/zinc/89/20/79/823892079.db2.gz YMIRKISLRIIKGM-IBGZPJMESA-N 1 0 393.487 4.134 20 0 GIADRO O=C(c1cccc2c3c([nH]c21)CCCC3)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000126537142 823893339 /nfs/dbraw/zinc/89/33/39/823893339.db2.gz UFOIYIQTXASWKG-OPAMFIHVSA-N 1 0 377.532 4.136 20 0 GIADRO O[C@H](COc1ccccc1Cl)C[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000167588987 823893625 /nfs/dbraw/zinc/89/36/25/823893625.db2.gz XTOWABQSHHLXKD-KRWDZBQOSA-N 1 0 384.907 4.441 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1cccc(COCC2CC2)c1 ZINC000462244954 823893939 /nfs/dbraw/zinc/89/39/39/823893939.db2.gz INRPLMVKQQXXQA-MBSDFSHPSA-N 1 0 393.531 4.255 20 0 GIADRO CC(C)C(=O)Nc1cccc(NC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000126546639 823895297 /nfs/dbraw/zinc/89/52/97/823895297.db2.gz BPBGYSQXMIGIBG-NRFANRHFSA-N 1 0 394.519 4.067 20 0 GIADRO CCS[C@@H](C)c1noc(CN2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1 ZINC000126551229 823896309 /nfs/dbraw/zinc/89/63/09/823896309.db2.gz QKAYNZLFEZYSMR-KRWDZBQOSA-N 1 0 388.581 4.228 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000167826175 823896375 /nfs/dbraw/zinc/89/63/75/823896375.db2.gz COWGHIVFUILJFD-LSDHHAIUSA-N 1 0 387.455 4.107 20 0 GIADRO CCN(CC)C(=O)c1ccc(C[NH2+]Cc2ccc(OC(F)F)c(F)c2)cc1 ZINC000168019347 823899506 /nfs/dbraw/zinc/89/95/06/823899506.db2.gz PMQAKXQFEGPGPW-UHFFFAOYSA-N 1 0 380.410 4.199 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCN(c2ncccc2F)C1)c1ccc(F)c(Br)c1 ZINC000168127444 823900060 /nfs/dbraw/zinc/90/00/60/823900060.db2.gz QGQDCFMUOAWKCH-YPMHNXCESA-N 1 0 382.252 4.052 20 0 GIADRO CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)CCC(=O)c1ccccc1 ZINC000064850149 823900196 /nfs/dbraw/zinc/90/01/96/823900196.db2.gz DKUGBHGXBUOLRV-QHCPKHFHSA-N 1 0 392.543 4.239 20 0 GIADRO Cc1noc(C)c1[C@@H](C)[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000168161482 823900713 /nfs/dbraw/zinc/90/07/13/823900713.db2.gz JOWJBUJCWOZCJF-WDEREUQCSA-N 1 0 380.286 4.122 20 0 GIADRO Cc1nccn1-c1ccc(C[NH2+]Cc2ccc(OC(F)F)c(F)c2)cc1F ZINC000168163977 823900824 /nfs/dbraw/zinc/90/08/24/823900824.db2.gz BJQLASYDAHRAJC-UHFFFAOYSA-N 1 0 379.357 4.350 20 0 GIADRO COC(=O)c1cnc([C@H](C)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)s1 ZINC000414071510 823901378 /nfs/dbraw/zinc/90/13/78/823901378.db2.gz LYBZBNFVNHWWLN-FUHWJXTLSA-N 1 0 387.549 4.054 20 0 GIADRO CC(C)n1cc(NC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)cn1 ZINC000575056949 823901598 /nfs/dbraw/zinc/90/15/98/823901598.db2.gz HIOVMJGTSKBQSY-GOSISDBHSA-N 1 0 375.904 4.076 20 0 GIADRO Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+]CC1(N(C)C)CCOCC1 ZINC000168273171 823902167 /nfs/dbraw/zinc/90/21/67/823902167.db2.gz YIZHTXISECDIIR-AWEZNQCLSA-N 1 0 377.529 4.019 20 0 GIADRO O=C1OCCN1c1ccc(C[NH2+]Cc2ccc(Br)c(Cl)c2)cc1 ZINC000192207253 823902277 /nfs/dbraw/zinc/90/22/77/823902277.db2.gz JYRKRISBAPNSSP-UHFFFAOYSA-N 1 0 395.684 4.349 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1nnc([C@H]2CCCS2)n1C1CC1 ZINC000575066824 823902962 /nfs/dbraw/zinc/90/29/62/823902962.db2.gz HIKOIJSCLIUJNM-AZUAARDMSA-N 1 0 397.592 4.139 20 0 GIADRO Cc1ccc([C@H](C[NH2+][C@H](C)c2csc(-c3ccccc3)n2)N2CCOCC2)o1 ZINC000414077832 823903711 /nfs/dbraw/zinc/90/37/11/823903711.db2.gz ZJYSIIGSGBXGBJ-XLIONFOSSA-N 1 0 397.544 4.436 20 0 GIADRO COCc1cc([C@@H](C)[NH2+][C@H](C)c2cc(OC)c(OC)cc2F)ccc1OC ZINC000168585961 823904364 /nfs/dbraw/zinc/90/43/64/823904364.db2.gz JYDHJINBBFTUMI-ZIAGYGMSSA-N 1 0 377.456 4.410 20 0 GIADRO Cc1nc(CN2CCC(C[NH2+][C@H]3C[C@H](OC(C)(C)C)C3(C)C)CC2)oc1C ZINC000414081955 823904415 /nfs/dbraw/zinc/90/44/15/823904415.db2.gz FHPGKWXASBPRLK-OALUTQOASA-N 1 0 377.573 4.075 20 0 GIADRO CCSCC[C@H](C)[NH2+]Cc1ncc(Br)cc1Br ZINC000168620397 823905239 /nfs/dbraw/zinc/90/52/39/823905239.db2.gz AMAURYFGJDEEGL-VIFPVBQESA-N 1 0 382.165 4.228 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]Cc2cc(C)ccc2OC(F)F)cc1 ZINC000168616893 823905265 /nfs/dbraw/zinc/90/52/65/823905265.db2.gz NLUHOQJSGRCYNL-AWEZNQCLSA-N 1 0 398.475 4.209 20 0 GIADRO CC(C)OCc1cccc(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000462264351 823905467 /nfs/dbraw/zinc/90/54/67/823905467.db2.gz XESVIVGIEOWIRE-GCJKJVERSA-N 1 0 381.520 4.254 20 0 GIADRO CC[NH+](CC)CCOc1ccc(CNC(=S)Nc2ccc3c(c2)CCC3)cc1 ZINC000064892903 823906779 /nfs/dbraw/zinc/90/67/79/823906779.db2.gz MXYYGRKVVGRKBD-UHFFFAOYSA-N 1 0 397.588 4.383 20 0 GIADRO CCOc1cc(C[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)ccc1OC ZINC000168846865 823906920 /nfs/dbraw/zinc/90/69/20/823906920.db2.gz QENJVKMZDTYTSU-UHFFFAOYSA-N 1 0 380.488 4.016 20 0 GIADRO Cc1ccc(OCc2nc(C[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCCC4)cs2)cc1 ZINC000168974987 823907230 /nfs/dbraw/zinc/90/72/30/823907230.db2.gz HVTLHNPWFBCQQX-NRSPTQNISA-N 1 0 384.545 4.468 20 0 GIADRO COc1ccc(CCC[N@H+](C)C[C@H](O)COc2cccc3ccccc32)cc1 ZINC000168993062 823907249 /nfs/dbraw/zinc/90/72/49/823907249.db2.gz CTIVXMDEEMUQQI-NRFANRHFSA-N 1 0 379.500 4.153 20 0 GIADRO O=C(C[C@@H]1CCC[NH2+]1)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1 ZINC000168923441 823907430 /nfs/dbraw/zinc/90/74/30/823907430.db2.gz WRYPFYXWCNDHHO-LBPRGKRZSA-N 1 0 383.345 4.112 20 0 GIADRO Cc1ncc([C@@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)c(C)n1 ZINC000169101192 823908355 /nfs/dbraw/zinc/90/83/55/823908355.db2.gz SHMDVAKGXOFIAF-RDTXWAMCSA-N 1 0 378.442 4.037 20 0 GIADRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](c1ccccc1)c1cccc(Br)c1 ZINC000414100843 823909851 /nfs/dbraw/zinc/90/98/51/823909851.db2.gz LOIIQZOZALMARD-CEXWTWQISA-N 1 0 387.321 4.043 20 0 GIADRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)Nc1ccccc1OCC(F)(F)F ZINC000575111933 823915007 /nfs/dbraw/zinc/91/50/07/823915007.db2.gz XOYQFEHXRIXTEM-UHFFFAOYSA-N 1 0 399.413 4.207 20 0 GIADRO COC(=O)c1cnc([C@H](C)[NH2+][C@@H](COc2ccccc2F)C(C)(C)C)s1 ZINC000414126895 823915301 /nfs/dbraw/zinc/91/53/01/823915301.db2.gz RPQWTAJCSRMRSK-LRDDRELGSA-N 1 0 380.485 4.213 20 0 GIADRO CCCc1c(NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cnn1-c1ccc(F)cc1 ZINC000575113586 823915460 /nfs/dbraw/zinc/91/54/60/823915460.db2.gz NDNBTLVHYFONTO-IBGZPJMESA-N 1 0 399.514 4.056 20 0 GIADRO CC(=O)N1CC[C@H]([NH2+]CCc2cccc(Br)c2)c2ccccc2C1 ZINC000414127546 823915486 /nfs/dbraw/zinc/91/54/86/823915486.db2.gz QHJADVUUHKAYKW-FQEVSTJZSA-N 1 0 387.321 4.075 20 0 GIADRO COc1cccc(CN(C)C(=O)C[NH2+][C@@H](c2ccccc2)C(C)(C)C)c1OC ZINC000064938857 823915883 /nfs/dbraw/zinc/91/58/83/823915883.db2.gz YKLAHFHTMHJAEL-QFIPXVFZSA-N 1 0 384.520 4.039 20 0 GIADRO COC(=O)c1cnc([C@H](C)NCC2([NH2+][C@H](C)c3ccccc3)CCCC2)s1 ZINC000414128408 823916029 /nfs/dbraw/zinc/91/60/29/823916029.db2.gz UBGVZBJNGJUQMM-CVEARBPZSA-N 1 0 387.549 4.244 20 0 GIADRO O=c1[nH]c2ccccc2n1C1CC[NH+](CCOc2cccc3ccccc32)CC1 ZINC000064950678 823917086 /nfs/dbraw/zinc/91/70/86/823917086.db2.gz DSNAZKZGSIUZRT-UHFFFAOYSA-N 1 0 387.483 4.199 20 0 GIADRO COC(=O)c1cnc([C@H](C)[NH2+][C@H]2C[C@H](c3ccc(Br)cc3)C2)s1 ZINC000414143498 823918366 /nfs/dbraw/zinc/91/83/66/823918366.db2.gz NNDMTLUFYNSKIL-JKOKRWQUSA-N 1 0 395.322 4.289 20 0 GIADRO Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3csc(-c4ccccc4)n3)C2)n(C)n1 ZINC000414160587 823920617 /nfs/dbraw/zinc/92/06/17/823920617.db2.gz ZRMZLDZIMAPISY-FUHWJXTLSA-N 1 0 381.549 4.172 20 0 GIADRO OC1(CC[NH2+][C@H](c2ccccc2)c2cccc(Br)c2)CCOCC1 ZINC000414167950 823921467 /nfs/dbraw/zinc/92/14/67/823921467.db2.gz UAZNGVVFXJCKBQ-LJQANCHMSA-N 1 0 390.321 4.060 20 0 GIADRO Cc1ncc(C[NH2+][C@@H](C)CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)o1 ZINC000414166577 823921675 /nfs/dbraw/zinc/92/16/75/823921675.db2.gz FEJKWNLEBOQITG-VIFPVBQESA-N 1 0 375.778 4.162 20 0 GIADRO CCCN1C(=O)c2ccc(Cl)cc2NC12CC[NH+](CCC(F)(F)F)CC2 ZINC000414177206 823923065 /nfs/dbraw/zinc/92/30/65/823923065.db2.gz IOYCQVAMKGKHHC-UHFFFAOYSA-N 1 0 389.849 4.362 20 0 GIADRO C[C@@H](N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1cc(F)ccc1F ZINC000126672189 823923998 /nfs/dbraw/zinc/92/39/98/823923998.db2.gz GTHCFVJFHYTGMZ-CABCVRRESA-N 1 0 377.454 4.268 20 0 GIADRO CC(C)(C)NS(=O)(=O)c1ccccc1C[NH2+]Cc1csc2ccccc12 ZINC000065013790 823924305 /nfs/dbraw/zinc/92/43/05/823924305.db2.gz GIOGDHLUNAMAMQ-UHFFFAOYSA-N 1 0 388.558 4.268 20 0 GIADRO COc1ccc([C@@H](CO)C[NH2+][C@@H](c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000414186941 823924471 /nfs/dbraw/zinc/92/44/71/823924471.db2.gz PWCWTEUUYGUNTH-QPPBQGQZSA-N 1 0 377.484 4.159 20 0 GIADRO COc1ccc(C[C@@H]([NH2+]C[C@@H]2CNC(=O)C2)c2cc(Cl)ccc2Cl)cc1 ZINC000414188717 823924992 /nfs/dbraw/zinc/92/49/92/823924992.db2.gz DXMFAJQOYRBCGA-AUUYWEPGSA-N 1 0 393.314 4.012 20 0 GIADRO CC(=O)Nc1cccc(C[N@@H+](C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)c1 ZINC000170643321 823925052 /nfs/dbraw/zinc/92/50/52/823925052.db2.gz AFXLDTVNCSOAKZ-OALUTQOASA-N 1 0 379.287 4.042 20 0 GIADRO C[C@@H]1C[C@H](N[C@H](c2nccn2C)c2ccccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000575152196 823925228 /nfs/dbraw/zinc/92/52/28/823925228.db2.gz NXVYUJFNYNPUOF-XQFWAAQXSA-N 1 0 392.522 4.291 20 0 GIADRO C[C@@H](N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000126689749 823927630 /nfs/dbraw/zinc/92/76/30/823927630.db2.gz BVJLCFCTWOVFJA-CABCVRRESA-N 1 0 377.454 4.268 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000414208751 823928985 /nfs/dbraw/zinc/92/89/85/823928985.db2.gz JGVUVDHDROJKOR-GXTWGEPZSA-N 1 0 383.863 4.344 20 0 GIADRO COc1cc([C@H](C)[NH2+]Cc2ccc(C)c3ccccc23)ccc1S(C)(=O)=O ZINC000414212679 823930122 /nfs/dbraw/zinc/93/01/22/823930122.db2.gz RMFAYOHWWPJMPU-INIZCTEOSA-N 1 0 383.513 4.411 20 0 GIADRO CC[C@@H]([NH2+]Cc1cc(Cl)cc(S(=O)(=O)CC)c1)c1cccc(OC)c1 ZINC000414213725 823930742 /nfs/dbraw/zinc/93/07/42/823930742.db2.gz UGWXXQMXNOFFFX-LJQANCHMSA-N 1 0 381.925 4.383 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H]2CCCOc3cc(C)ccc32)c1 ZINC000414214542 823931104 /nfs/dbraw/zinc/93/11/04/823931104.db2.gz VMPFVEAENNBJPE-IBGZPJMESA-N 1 0 393.936 4.446 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H]2c3cc(F)ccc3C[C@H]2C)c1 ZINC000414215388 823931715 /nfs/dbraw/zinc/93/17/15/823931715.db2.gz XGVBBOMKRMGFPU-BLVKFPJESA-N 1 0 381.900 4.296 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1cc(F)cc(F)c1 ZINC000126711149 823933055 /nfs/dbraw/zinc/93/30/55/823933055.db2.gz QKTLGGMIQDMRNH-GJZGRUSLSA-N 1 0 377.454 4.268 20 0 GIADRO Cc1sc(NC(=O)c2ccc(C[NH+](C)C)cc2)nc1-c1c[nH]c2ncccc12 ZINC000126712233 823933458 /nfs/dbraw/zinc/93/34/58/823933458.db2.gz WAUQBKMCYSLWAA-UHFFFAOYSA-N 1 0 391.500 4.309 20 0 GIADRO C/C=C/COc1ccc(CC[C@H](C)[NH2+]Cc2ccccc2S(C)(=O)=O)cc1 ZINC000414226411 823933605 /nfs/dbraw/zinc/93/36/05/823933605.db2.gz BZJXRPQRTQZYEG-WRFKIARRSA-N 1 0 387.545 4.156 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N[C@@H](c1ccccc1)[C@@H]1CCCO1 ZINC000170676329 823934658 /nfs/dbraw/zinc/93/46/58/823934658.db2.gz JZIKCHKDQHWFOH-GOTSBHOMSA-N 1 0 393.531 4.002 20 0 GIADRO FC(F)(F)c1ccnc(C[NH2+]C2CC(c3cccc(Br)c3)C2)n1 ZINC000414232970 823935056 /nfs/dbraw/zinc/93/50/56/823935056.db2.gz DNXZXVPNEWJIJB-UHFFFAOYSA-N 1 0 386.215 4.294 20 0 GIADRO CCn1cc(C(=O)Nc2ccccc2NC2CC[NH+](C)CC2)c2ccccc21 ZINC000170678453 823935350 /nfs/dbraw/zinc/93/53/50/823935350.db2.gz MJYGASKOWMEPGY-UHFFFAOYSA-N 1 0 376.504 4.420 20 0 GIADRO CO[C@@](C)([C@@H](C)[NH2+]C1CCN(Cc2ccccc2Br)CC1)C1CC1 ZINC000414234372 823935595 /nfs/dbraw/zinc/93/55/95/823935595.db2.gz JDLBQQBAZPHQPY-QRWLVFNGSA-N 1 0 395.385 4.207 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)cn1 ZINC000414236956 823936046 /nfs/dbraw/zinc/93/60/46/823936046.db2.gz AODFRPKCBHDRLJ-GDIGMMSISA-N 1 0 375.900 4.138 20 0 GIADRO CC[NH+]1CCC(CNC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)CC1 ZINC000575197917 823936178 /nfs/dbraw/zinc/93/61/78/823936178.db2.gz QCUTYNARCNZHIO-GOSISDBHSA-N 1 0 383.458 4.188 20 0 GIADRO CCCC[NH+]1CCC(NC(=O)Nc2c(F)cc(F)cc2Br)CC1 ZINC000192292475 823936121 /nfs/dbraw/zinc/93/61/21/823936121.db2.gz IOEGQCUUYPAXFS-UHFFFAOYSA-N 1 0 390.272 4.113 20 0 GIADRO CC[C@@H]([NH2+]C[C@@H]1CCO[C@H]1c1cnn(CC)c1)c1cccc(Br)c1 ZINC000414236987 823936407 /nfs/dbraw/zinc/93/64/07/823936407.db2.gz AQWKXKCSAHJBON-KFKAGJAMSA-N 1 0 392.341 4.484 20 0 GIADRO COc1ccncc1C[NH2+][C@H](C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000575201211 823937077 /nfs/dbraw/zinc/93/70/77/823937077.db2.gz ZCAJTSHPKFAHLO-QGZVFWFLSA-N 1 0 388.471 4.168 20 0 GIADRO COc1ccc([C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2S(C)(=O)=O)cc1F ZINC000414238344 823937196 /nfs/dbraw/zinc/93/71/96/823937196.db2.gz LZLPHGPKPDFZPM-PKOBYXMFSA-N 1 0 391.508 4.054 20 0 GIADRO O=C(c1ccoc1)N1CCC([NH2+]Cc2cc(Cl)cc(Br)c2)CC1 ZINC000414240808 823937456 /nfs/dbraw/zinc/93/74/56/823937456.db2.gz KGGORGHSBFWQCV-UHFFFAOYSA-N 1 0 397.700 4.090 20 0 GIADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC3c4ccccc4C2c2ccccc23)C1 ZINC000575200841 823937467 /nfs/dbraw/zinc/93/74/67/823937467.db2.gz LSCFQXJJNNOPQC-SHDPVSIFSA-N 1 0 395.568 4.229 20 0 GIADRO Nc1c(Cl)cc(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1Cl ZINC000192295831 823937589 /nfs/dbraw/zinc/93/75/89/823937589.db2.gz YTXZXPYALSXVMW-CQSZACIVSA-N 1 0 383.279 4.127 20 0 GIADRO CC(C)[NH+]1CCC(NC(=O)N[C@H](c2cccc(OC(F)(F)F)c2)C2CC2)CC1 ZINC000575202932 823937833 /nfs/dbraw/zinc/93/78/33/823937833.db2.gz HYYQZDPWINJNCS-SFHVURJKSA-N 1 0 399.457 4.208 20 0 GIADRO O=C(CN(Cc1ccccc1)Cc1ccccc1)N1CCC=C(c2cccnc2)C1 ZINC000575203077 823938012 /nfs/dbraw/zinc/93/80/12/823938012.db2.gz DUSOTVBOZMSQHH-UHFFFAOYSA-N 1 0 397.522 4.400 20 0 GIADRO Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000170684885 823938506 /nfs/dbraw/zinc/93/85/06/823938506.db2.gz FVKFTRSYMZISRD-CYBMUJFWSA-N 1 0 397.466 4.324 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@@H]2CCSc3ccc(Cl)cc32)cn1 ZINC000414243922 823938393 /nfs/dbraw/zinc/93/83/93/823938393.db2.gz KPKPUZUARQUZLN-BOFPYLFWSA-N 1 0 377.941 4.461 20 0 GIADRO COc1ccc([C@H](Cc2ccccc2)NC(=O)NCC2(C)CC[NH+](C)CC2)cc1 ZINC000462357388 823939367 /nfs/dbraw/zinc/93/93/67/823939367.db2.gz JGOZCHOVLAMHDY-QFIPXVFZSA-N 1 0 395.547 4.010 20 0 GIADRO C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CC1(c2c(F)cccc2F)CCC1 ZINC000414245977 823939953 /nfs/dbraw/zinc/93/99/53/823939953.db2.gz UEBOIWVXGNODDW-UWJYYQICSA-N 1 0 385.502 4.282 20 0 GIADRO C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000192300576 823940102 /nfs/dbraw/zinc/94/01/02/823940102.db2.gz VBHIANWBBQGSBL-NFBKMPQASA-N 1 0 392.543 4.277 20 0 GIADRO CC(C)n1cc(C[NH2+]CC2(c3cccc(Br)c3)CCCC2)nn1 ZINC000575212322 823940378 /nfs/dbraw/zinc/94/03/78/823940378.db2.gz QGMHRSJQHFSVAJ-UHFFFAOYSA-N 1 0 377.330 4.223 20 0 GIADRO CC(C)(CC[NH2+][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21)S(C)(=O)=O ZINC000414250236 823940697 /nfs/dbraw/zinc/94/06/97/823940697.db2.gz GYSRVEKMTXNMCR-OAHLLOKOSA-N 1 0 396.553 4.130 20 0 GIADRO Nc1c(Cl)cc(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1Cl ZINC000192307377 823941937 /nfs/dbraw/zinc/94/19/37/823941937.db2.gz RWBKVELPOJXSQG-UHFFFAOYSA-N 1 0 385.339 4.494 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1ccn(-c2ccccc2Cl)n1 ZINC000065102904 823942682 /nfs/dbraw/zinc/94/26/82/823942682.db2.gz ZHKXLYXDOAMSQS-UHFFFAOYSA-N 1 0 396.922 4.296 20 0 GIADRO Cc1csc(N2CCC([NH2+]Cc3cc(C)ccc3Br)CC2)n1 ZINC000414264062 823945679 /nfs/dbraw/zinc/94/56/79/823945679.db2.gz QAVCUNPSCFQPPH-UHFFFAOYSA-N 1 0 380.355 4.281 20 0 GIADRO CC[C@H](c1nc(COc2cccc(C(=O)OC)c2)no1)N(C)Cc1ccccc1 ZINC000575225213 823945659 /nfs/dbraw/zinc/94/56/59/823945659.db2.gz DMCKEIJJZXGUKN-LJQANCHMSA-N 1 0 395.459 4.018 20 0 GIADRO FC(F)(F)c1ccnc(C[NH2+]C2CC(c3ccc(Br)cc3)C2)n1 ZINC000414267781 823946752 /nfs/dbraw/zinc/94/67/52/823946752.db2.gz WVQHXVJUVCEEGW-UHFFFAOYSA-N 1 0 386.215 4.294 20 0 GIADRO CC(C)c1c(NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cnn1-c1ccccc1 ZINC000192330589 823948080 /nfs/dbraw/zinc/94/80/80/823948080.db2.gz WYKGNCXFSFKBSW-GOSISDBHSA-N 1 0 383.540 4.334 20 0 GIADRO CC(C)(CC[NH2+][C@H](Cc1ccccc1Cl)c1ccsc1)S(C)(=O)=O ZINC000414273803 823949207 /nfs/dbraw/zinc/94/92/07/823949207.db2.gz ZWFHWJBMAKIPDI-QGZVFWFLSA-N 1 0 385.982 4.488 20 0 GIADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)CCCOc2ccccc2Cl)C1 ZINC000065128641 823949492 /nfs/dbraw/zinc/94/94/92/823949492.db2.gz AQOJKGFBHYNCJL-FGTMMUONSA-N 1 0 378.944 4.363 20 0 GIADRO Cc1cc(C)n(-c2ccc(C(=O)N[C@H]3CC[N@@H+]([C@@H](C)c4ccccc4)C3)cc2)n1 ZINC000065140897 823950356 /nfs/dbraw/zinc/95/03/56/823950356.db2.gz CQIOOHLXZHECTI-UGKGYDQZSA-N 1 0 388.515 4.054 20 0 GIADRO CCOc1ccc(SCC(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cc1 ZINC000065140763 823950831 /nfs/dbraw/zinc/95/08/31/823950831.db2.gz IYCXESQJEYGNTJ-MJGOQNOKSA-N 1 0 384.545 4.129 20 0 GIADRO CC(C)Oc1ccc(CC[C@H](C)[NH2+]Cc2ccc(S(C)(=O)=O)s2)cc1 ZINC000414282331 823950901 /nfs/dbraw/zinc/95/09/01/823950901.db2.gz CRLKMMGKZFMKQX-HNNXBMFYSA-N 1 0 381.563 4.050 20 0 GIADRO CC[C@H](C)Oc1cc(C[NH+]2CCC(C(=O)N[C@H](C)C(C)C)CC2)ccc1OC ZINC000126787939 823951276 /nfs/dbraw/zinc/95/12/76/823951276.db2.gz ZABBMSKHUULUJF-ZWKOTPCHSA-N 1 0 390.568 4.245 20 0 GIADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@H](C)CC(F)(F)F ZINC000414288886 823951894 /nfs/dbraw/zinc/95/18/94/823951894.db2.gz VJMLGXQGKPBSJU-WDEREUQCSA-N 1 0 381.236 4.344 20 0 GIADRO CC[C@@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1nnc2n1CCCCC2 ZINC000575311331 823952770 /nfs/dbraw/zinc/95/27/70/823952770.db2.gz BFMXEUMIIYQNQR-NHCUHLMSSA-N 1 0 393.579 4.242 20 0 GIADRO Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000414293616 823952954 /nfs/dbraw/zinc/95/29/54/823952954.db2.gz DDPBCUFUYXZCPV-FCHUYYIVSA-N 1 0 383.442 4.469 20 0 GIADRO Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000414293623 823953342 /nfs/dbraw/zinc/95/33/42/823953342.db2.gz DDPBCUFUYXZCPV-VXKWHMMOSA-N 1 0 383.442 4.469 20 0 GIADRO C[C@H]1CCN(c2c(C(=O)[O-])c[nH+]c3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000575319479 823954404 /nfs/dbraw/zinc/95/44/04/823954404.db2.gz VLLGHKINUHIKKH-KRWDZBQOSA-N 1 0 375.472 4.034 20 0 GIADRO Cc1cc(C[NH2+]Cc2ccc(CN3CCCC3=O)cc2)ccc1C(F)(F)F ZINC000414305451 823954540 /nfs/dbraw/zinc/95/45/40/823954540.db2.gz DJIFMUJXWZPYDB-UHFFFAOYSA-N 1 0 376.422 4.426 20 0 GIADRO Cc1ccc(C[N@@H+](CC(=O)N[C@H](C)Cc2c(F)cccc2F)C(C)C)s1 ZINC000065162520 823955492 /nfs/dbraw/zinc/95/54/92/823955492.db2.gz SVMTXYNDHXHIKK-CQSZACIVSA-N 1 0 380.504 4.293 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCN(C(=O)C2CCCC2)C1)c1ccc(F)c(Br)c1 ZINC000126808367 823956872 /nfs/dbraw/zinc/95/68/72/823956872.db2.gz DQYUFBPNTYYVQE-DOMZBBRYSA-N 1 0 383.305 4.030 20 0 GIADRO CN(C(=O)c1sccc1-c1ccccc1)C1CC[NH+](C2CCOCC2)CC1 ZINC000065174361 823956860 /nfs/dbraw/zinc/95/68/60/823956860.db2.gz CIKXLIZEIJJJFV-UHFFFAOYSA-N 1 0 384.545 4.131 20 0 GIADRO NC(=O)CC[C@H]1CCC[N@H+](Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000170733792 823957562 /nfs/dbraw/zinc/95/75/62/823957562.db2.gz PIMPXUOXURSRGB-CYBMUJFWSA-N 1 0 397.466 4.306 20 0 GIADRO NC(=O)CC[C@H]1CCC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1 ZINC000170736284 823957679 /nfs/dbraw/zinc/95/76/79/823957679.db2.gz CJRIIGZKYNGEGS-LJQANCHMSA-N 1 0 388.515 4.017 20 0 GIADRO CC(C)Sc1ccc([C@H](C)[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)cc1 ZINC000414321149 823957970 /nfs/dbraw/zinc/95/79/70/823957970.db2.gz DQSPJXFWTABNBE-ZDUSSCGKSA-N 1 0 398.981 4.339 20 0 GIADRO Brc1cccc(-c2nc(CN3CC[C@@H]([NH+]4CCCC4)C3)cs2)c1 ZINC000170741671 823958621 /nfs/dbraw/zinc/95/86/21/823958621.db2.gz QEKIPADZNZAAAQ-QGZVFWFLSA-N 1 0 392.366 4.243 20 0 GIADRO O=C(C[NH2+][C@@H]1CCCc2c(O)cccc21)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000192366122 823959803 /nfs/dbraw/zinc/95/98/03/823959803.db2.gz PEBAJRVSQRZUCE-GOSISDBHSA-N 1 0 394.471 4.039 20 0 GIADRO CS(=O)(=O)CC1(C[NH2+][C@@H](c2ccc(Cl)c(Cl)c2)C2CC2)CCC1 ZINC000414332361 823960259 /nfs/dbraw/zinc/96/02/59/823960259.db2.gz RPKUZFXFGOLKRN-MRXNPFEDSA-N 1 0 376.349 4.249 20 0 GIADRO O=C(c1csc(Cc2ccccc2F)n1)N1CCC([NH2+]C2CCCC2)CC1 ZINC000126825693 823960450 /nfs/dbraw/zinc/96/04/50/823960450.db2.gz FKFDAYALQLKQJY-UHFFFAOYSA-N 1 0 387.524 4.010 20 0 GIADRO C[C@]1(C[NH3+])CCN(C(=O)N[C@@H](c2ccccc2)[C@@H]2CCCc3ccccc32)C1 ZINC000575354500 823961121 /nfs/dbraw/zinc/96/11/21/823961121.db2.gz WJSIIXQDQIUORK-AOHZBQACSA-N 1 0 377.532 4.228 20 0 GIADRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+]Cc1cnc(N(C)C)n1C ZINC000414341109 823961202 /nfs/dbraw/zinc/96/12/02/823961202.db2.gz OBOSFQCVGQDFJJ-LBPRGKRZSA-N 1 0 389.956 4.422 20 0 GIADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(Cc2cccc(C(=O)N3CCCCC3)c2)C1 ZINC000575359515 823961341 /nfs/dbraw/zinc/96/13/41/823961341.db2.gz MDAAMEZJKICUEV-TXTKFYIRSA-N 1 0 383.580 4.150 20 0 GIADRO CCS(=O)(=O)CCC[NH2+][C@@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21 ZINC000414344436 823961932 /nfs/dbraw/zinc/96/19/32/823961932.db2.gz ROOLKCFCQXYTNZ-OAHLLOKOSA-N 1 0 398.981 4.255 20 0 GIADRO Cc1ccc([C@H]([NH2+][C@@H]2C[C@H]2c2ccco2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000414354419 823963291 /nfs/dbraw/zinc/96/32/91/823963291.db2.gz XHBGIYWZMUDTCI-SJBKTWHCSA-N 1 0 381.497 4.227 20 0 GIADRO CCc1ncc(CNC[C@@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)cn1 ZINC000414355557 823963696 /nfs/dbraw/zinc/96/36/96/823963696.db2.gz AHVVQBZATAWQON-PXNSSMCTSA-N 1 0 392.469 4.231 20 0 GIADRO O=C(NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCCCO1 ZINC000126841597 823963955 /nfs/dbraw/zinc/96/39/55/823963955.db2.gz ISMKSRKIPUUKAJ-QHCPKHFHSA-N 1 0 378.516 4.135 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)CCc1cncc2ccccc21)c1ccccc1 ZINC000462410145 823964104 /nfs/dbraw/zinc/96/41/04/823964104.db2.gz NSAROOUAKKIFLM-HSZRJFAPSA-N 1 0 375.516 4.367 20 0 GIADRO C[C@@H]([NH2+]C[C@@H]1CCCN(Cc2cccs2)C1)c1ccc([S@](C)=O)cc1 ZINC000126846789 823965469 /nfs/dbraw/zinc/96/54/69/823965469.db2.gz WTUDDAQIRSQSSA-LEHBWIKQSA-N 1 0 376.591 4.048 20 0 GIADRO COc1cc(C[NH2+]C[C@@H](C)Cn2ccnc2)ccc1OCc1ccc(F)cc1 ZINC000126854858 823967286 /nfs/dbraw/zinc/96/72/86/823967286.db2.gz WOSDTQFPBWMQAP-QGZVFWFLSA-N 1 0 383.467 4.036 20 0 GIADRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)c2cc(Cl)c(Cl)[nH]2)CC1 ZINC000170774807 823967487 /nfs/dbraw/zinc/96/74/87/823967487.db2.gz FFOWCPKQDXPVNM-UHFFFAOYSA-N 1 0 380.319 4.306 20 0 GIADRO Cc1ccc2[nH+]cc(C(=O)[O-])c(NC[C@H]3CCC[N@@H+](C)[C@H]3c3cccs3)c2c1 ZINC000575408924 823967713 /nfs/dbraw/zinc/96/77/13/823967713.db2.gz APIPSBUJOYIASS-QVKFZJNVSA-N 1 0 395.528 4.220 20 0 GIADRO Cc1cc(C(=O)NC2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)c(C)o1 ZINC000170776190 823968763 /nfs/dbraw/zinc/96/87/63/823968763.db2.gz PLARECINLJZARM-UHFFFAOYSA-N 1 0 380.410 4.310 20 0 GIADRO CCc1ncc(C[N@@H+]2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cn1 ZINC000414380336 823969733 /nfs/dbraw/zinc/96/97/33/823969733.db2.gz ITXVIQAVVQEQGU-MRXNPFEDSA-N 1 0 383.883 4.122 20 0 GIADRO C[C@H]([NH2+]C[C@@H]1CCCN(Cc2cccs2)C1)c1ccc(N2CCCC2=O)cc1 ZINC000126879578 823972489 /nfs/dbraw/zinc/97/24/89/823972489.db2.gz OHLGKQPFVXPZNT-OALUTQOASA-N 1 0 397.588 4.438 20 0 GIADRO C[C@@H]([NH2+]CCNC(=O)c1ccccc1Cl)c1ccc(Br)cc1F ZINC000126895675 823975876 /nfs/dbraw/zinc/97/58/76/823975876.db2.gz AUFLGFOIKBBSKG-LLVKDONJSA-N 1 0 399.691 4.322 20 0 GIADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)/C=C(\C)c1ccccc1OC ZINC000170813155 823978025 /nfs/dbraw/zinc/97/80/25/823978025.db2.gz VNRDCKSMUHFFML-WEIUTZTHSA-N 1 0 393.531 4.007 20 0 GIADRO CCCNc1ccc(CNC(=O)Nc2ccc([C@@H](C)N3CCOCC3)cc2)cc1 ZINC000192415841 823979512 /nfs/dbraw/zinc/97/95/12/823979512.db2.gz DPCYWLXSOBWZNH-GOSISDBHSA-N 1 0 396.535 4.223 20 0 GIADRO O[C@@H](COCc1ccccc1Cl)C[NH+]1CCC(OC2CCCCC2)CC1 ZINC000126923597 823981741 /nfs/dbraw/zinc/98/17/41/823981741.db2.gz PDTKXDRMSNDHCN-GOSISDBHSA-N 1 0 381.944 4.031 20 0 GIADRO CC(C)C[N@H+](CC(=O)N[C@H]1CCOc2ccccc21)[C@@H]1CCCc2cccnc21 ZINC000126928935 823983268 /nfs/dbraw/zinc/98/32/68/823983268.db2.gz ZLJREGOSDTZICD-LEWJYISDSA-N 1 0 393.531 4.057 20 0 GIADRO C[C@H]([NH2+]Cc1cncc(F)c1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000575735779 823983597 /nfs/dbraw/zinc/98/35/97/823983597.db2.gz KYVZVGJJMBSYAI-HNNXBMFYSA-N 1 0 381.426 4.392 20 0 GIADRO Cc1cc(C[NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)ccc1C(F)(F)F ZINC000414437170 823985897 /nfs/dbraw/zinc/98/58/97/823985897.db2.gz POONOXRLDGIWRY-UHFFFAOYSA-N 1 0 391.842 4.361 20 0 GIADRO O=C(Nc1cc(Cl)c(F)c(Cl)c1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000192423345 823985939 /nfs/dbraw/zinc/98/59/39/823985939.db2.gz ZONQRSYMKADYCO-UHFFFAOYSA-N 1 0 397.281 4.314 20 0 GIADRO CCc1nc([C@@H](C)NC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)cs1 ZINC000126945277 823986730 /nfs/dbraw/zinc/98/67/30/823986730.db2.gz AULHHBWMMKDXJG-DLBZAZTESA-N 1 0 386.565 4.073 20 0 GIADRO COCCn1cc2c(n1)[C@@H]([NH2+][C@H]1CCCc3c4cc(C)ccc4[nH]c31)CCC2 ZINC000575757116 823986871 /nfs/dbraw/zinc/98/68/71/823986871.db2.gz ZGMFPAITIVYGDS-SFTDATJTSA-N 1 0 378.520 4.364 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000126945652 823987184 /nfs/dbraw/zinc/98/71/84/823987184.db2.gz PGTJBYVBHSJTNZ-IRXDYDNUSA-N 1 0 383.458 4.125 20 0 GIADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)Nc1cc(C(F)(F)F)ccn1 ZINC000192426097 823987966 /nfs/dbraw/zinc/98/79/66/823987966.db2.gz WYAFCERWXAPESJ-ZDUSSCGKSA-N 1 0 384.427 4.121 20 0 GIADRO Cc1nn(-c2cccc(F)c2)cc1C[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000414455176 823988559 /nfs/dbraw/zinc/98/85/59/823988559.db2.gz RSAJMXBMFJCPSX-UHFFFAOYSA-N 1 0 378.373 4.066 20 0 GIADRO O[C@@H](C[NH2+]C[C@H](c1c[nH]c2ccccc21)c1ccccc1)COc1ccccc1 ZINC000575776289 823992111 /nfs/dbraw/zinc/99/21/11/823992111.db2.gz XGTPQKKKKSZNFY-REWPJTCUSA-N 1 0 386.495 4.329 20 0 GIADRO C[N@H+](CCO)Cc1cc(NCc2csc(Br)c2)ccc1Cl ZINC000575780019 823993174 /nfs/dbraw/zinc/99/31/74/823993174.db2.gz KXKFKTKIJDSFML-UHFFFAOYSA-N 1 0 389.746 4.200 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000126980374 823993686 /nfs/dbraw/zinc/99/36/86/823993686.db2.gz OFNCMNYKNCPTIT-MSOLQXFVSA-N 1 0 398.469 4.198 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]Cc2ccc(F)c(Cl)c2)c1 ZINC000414491764 823994634 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392.547 4.188 20 0 GIADRO C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)c2ccccc2)C1)c1ccc(Br)s1 ZINC000575817199 824002627 /nfs/dbraw/zinc/00/26/27/824002627.db2.gz GMPDDCMVIIAOMS-KGLIPLIRSA-N 1 0 393.350 4.324 20 0 GIADRO COc1cc(C[N@@H+]2CC3(CCOCC3)[C@H]2C(C)C)ccc1OCC(F)(F)F ZINC000414529553 824002837 /nfs/dbraw/zinc/00/28/37/824002837.db2.gz PKNVCOIHFSGXEF-GOSISDBHSA-N 1 0 387.442 4.273 20 0 GIADRO CCc1sc(C(=O)N[C@H](C)CCC[NH+](CC)CC)cc1Br ZINC000575818751 824002892 /nfs/dbraw/zinc/00/28/92/824002892.db2.gz ZANSFLQSDGJGKW-GFCCVEGCSA-N 1 0 375.376 4.313 20 0 GIADRO CCCCOc1ccc([C@H](C)[NH2+][C@@H]2CCN(C(=O)C3CCCC3)C2)cc1OC ZINC000127030588 824003536 /nfs/dbraw/zinc/00/35/36/824003536.db2.gz GOYRGYMJMZHWJE-FXAWDEMLSA-N 1 0 388.552 4.316 20 0 GIADRO C[C@H]1C[C@H]([N@H+](C)Cc2cc3ccccc3n(C)c2=O)CCN1Cc1ccccc1 ZINC000575822585 824003914 /nfs/dbraw/zinc/00/39/14/824003914.db2.gz PWKNLKVEKJHXHU-WMZHIEFXSA-N 1 0 389.543 4.023 20 0 GIADRO C[C@@H]1C[C@H]([N@H+](C)Cc2cc3ccccc3n(C)c2=O)CCN1Cc1ccccc1 ZINC000575822583 824004246 /nfs/dbraw/zinc/00/42/46/824004246.db2.gz PWKNLKVEKJHXHU-AUSIDOKSSA-N 1 0 389.543 4.023 20 0 GIADRO CC(C)[C@H]1[N@H+](Cc2csc(-c3ccc4c(c3)OCO4)n2)CC12CCOCC2 ZINC000414539281 824005103 /nfs/dbraw/zinc/00/51/03/824005103.db2.gz MYIOXJYLSYBOJP-LJQANCHMSA-N 1 0 386.517 4.176 20 0 GIADRO COCCCOc1cccc(C[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)c1 ZINC000414542794 824006555 /nfs/dbraw/zinc/00/65/55/824006555.db2.gz DDYAOTHPQXNBKF-QHCPKHFHSA-N 1 0 381.516 4.456 20 0 GIADRO COc1ccc(Oc2ccc(C[N@@H+]3CCC[C@@H](N4CCCC4=O)CC3)cc2)cc1 ZINC000414543875 824006881 /nfs/dbraw/zinc/00/68/81/824006881.db2.gz CNKSXPSXKHFJKA-HXUWFJFHSA-N 1 0 394.515 4.464 20 0 GIADRO Cc1ccc2[nH]c(C[NH2+][C@H](c3ccccc3)C3(CO)CCOCC3)cc2c1C ZINC000414546198 824007342 /nfs/dbraw/zinc/00/73/42/824007342.db2.gz XRSXLJCXRKQUSB-HSZRJFAPSA-N 1 0 378.516 4.405 20 0 GIADRO C[C@H](C[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000414550017 824008855 /nfs/dbraw/zinc/00/88/55/824008855.db2.gz ISONTDGFYKUCOZ-XMSQKQJNSA-N 1 0 399.556 4.047 20 0 GIADRO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2cccc(OCc3ccccc3F)c2)CC1 ZINC000414550054 824009015 /nfs/dbraw/zinc/00/90/15/824009015.db2.gz MMXCIDRYAXTMHN-OAQYLSRUSA-N 1 0 396.506 4.382 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)Nc2cc(-c3ccccc3)on2)CC1 ZINC000127060524 824009008 /nfs/dbraw/zinc/00/90/08/824009008.db2.gz ITMWVIZJGXRZNO-UHFFFAOYSA-N 1 0 390.487 4.470 20 0 GIADRO C[C@@H](C[N@@H+]1CCC[C@@H](N2CCCC2=O)CC1)c1cccc(Br)c1 ZINC000414550453 824009167 /nfs/dbraw/zinc/00/91/67/824009167.db2.gz NBCFKVJYWPFIJR-MAUKXSAKSA-N 1 0 379.342 4.030 20 0 GIADRO CCOc1cc(C[N@@H+]2CCC[C@H](N3CCCC3=O)CC2)ccc1OCC(C)C ZINC000414550463 824009796 /nfs/dbraw/zinc/00/97/96/824009796.db2.gz NCARGNVISNDHEM-FQEVSTJZSA-N 1 0 388.552 4.097 20 0 GIADRO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2cnc(-c3c(F)cccc3F)s2)CC1 ZINC000414552062 824010399 /nfs/dbraw/zinc/01/03/99/824010399.db2.gz PIXZYTXPOVYFJW-CQSZACIVSA-N 1 0 391.487 4.065 20 0 GIADRO CSc1cc(Br)ccc1C[N@@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000414556331 824011125 /nfs/dbraw/zinc/01/11/25/824011125.db2.gz VMUPZIJXZOKJMD-INIZCTEOSA-N 1 0 397.382 4.148 20 0 GIADRO OC[C@@H]([NH2+]Cc1ccc(-c2cccc(Br)c2)s1)[C@@H]1CCCOC1 ZINC000414558362 824012019 /nfs/dbraw/zinc/01/20/19/824012019.db2.gz OPQXEXGQNPDDMH-RHSMWYFYSA-N 1 0 396.350 4.055 20 0 GIADRO O=C(Nc1ccc(OC2CCCC2)c(F)c1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000575851004 824012389 /nfs/dbraw/zinc/01/23/89/824012389.db2.gz MSXYQOGNANCLPG-HOTGVXAUSA-N 1 0 375.488 4.001 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1)C(=O)Nc1cccc(Cl)c1Cl ZINC000575854144 824012835 /nfs/dbraw/zinc/01/28/35/824012835.db2.gz NOPLZNQBUGXQEI-OGHNNQOOSA-N 1 0 394.302 4.225 20 0 GIADRO C[C@](Cc1ccccc1)([NH2+]Cc1cnc(N2CCOCC2)s1)c1ccccc1 ZINC000414564635 824013662 /nfs/dbraw/zinc/01/36/62/824013662.db2.gz BHAZEICBEOWGNQ-HSZRJFAPSA-N 1 0 393.556 4.227 20 0 GIADRO OC[C@@H]1CCC[C@H]([NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)C1 ZINC000414571794 824014577 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394.519 4.243 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)N1CCCCC[C@@H]1c1ccncc1)c1ccc(F)cc1 ZINC000127112801 824020039 /nfs/dbraw/zinc/02/00/39/824020039.db2.gz JVZUVFOHDQIFEI-NHCUHLMSSA-N 1 0 384.499 4.150 20 0 GIADRO CC(C)(C)OC(=O)c1ccc(C[NH+]2CCC(NC(=O)c3ccccc3)CC2)cc1 ZINC000127112249 824020099 /nfs/dbraw/zinc/02/00/99/824020099.db2.gz SSFBKVFPKYPVPN-UHFFFAOYSA-N 1 0 394.515 4.036 20 0 GIADRO CC(C)[C@@H]1CC[C@H]1[NH2+][C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000575889789 824020675 /nfs/dbraw/zinc/02/06/75/824020675.db2.gz OAHBCQQFOAYKTA-WMQCIHAUSA-N 1 0 393.499 4.482 20 0 GIADRO CC[C@H]([NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccs2)C1)c1cccc(Cl)c1 ZINC000575889744 824020701 /nfs/dbraw/zinc/02/07/01/824020701.db2.gz KAWZCBJGUOWXKP-YOEHRIQHSA-N 1 0 398.981 4.153 20 0 GIADRO O[C@H](C[NH2+]Cc1ccc(Oc2ccc(F)cc2)cc1)COc1ccccc1F ZINC000575890493 824021431 /nfs/dbraw/zinc/02/14/31/824021431.db2.gz UKAKSTHGUXNHCC-GOSISDBHSA-N 1 0 385.410 4.287 20 0 GIADRO C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(c2ccncn2)CC1)c1ccc2ccccc2c1 ZINC000575891425 824021796 /nfs/dbraw/zinc/02/17/96/824021796.db2.gz MLYNCRYBNADRTF-MSOLQXFVSA-N 1 0 388.515 4.075 20 0 GIADRO Cc1cc(C)n(-c2ccc(C[NH2+]C3(c4ccc(F)cc4)CCOCC3)cc2)n1 ZINC000170971387 824023748 /nfs/dbraw/zinc/02/37/48/824023748.db2.gz SJLLQFDNZBJPBC-UHFFFAOYSA-N 1 0 379.479 4.424 20 0 GIADRO Cc1ccc(NC(=O)N[C@H](CCC[NH3+])c2ccccc2)c(Br)c1 ZINC000414702641 824025093 /nfs/dbraw/zinc/02/50/93/824025093.db2.gz VAWLRSTYWBZGEU-MRXNPFEDSA-N 1 0 376.298 4.359 20 0 GIADRO CCCOc1ccc(C(F)(F)F)cc1NC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000414712672 824025643 /nfs/dbraw/zinc/02/56/43/824025643.db2.gz TULUEYRNYMNIQV-CFVMTHIKSA-N 1 0 385.430 4.085 20 0 GIADRO CCNC(=O)COc1ccc(C[N@@H+]2C[C@H](C)CC[C@H]2c2ccccc2)cc1OC ZINC000575907463 824026635 /nfs/dbraw/zinc/02/66/35/824026635.db2.gz HNKDRVAZTJDOMH-NQIIRXRSSA-N 1 0 396.531 4.183 20 0 GIADRO O=C(Nc1ccc(Oc2ccc(Br)cc2)cc1)N1CCC[NH2+]CC1 ZINC000414721956 824027029 /nfs/dbraw/zinc/02/70/29/824027029.db2.gz DBCQEXZKUFJRFS-UHFFFAOYSA-N 1 0 390.281 4.069 20 0 GIADRO Cc1cc(Br)ccc1NC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000414724509 824027850 /nfs/dbraw/zinc/02/78/50/824027850.db2.gz SLIRAIAVDNZPBS-UHFFFAOYSA-N 1 0 376.298 4.140 20 0 GIADRO CC(C)[NH2+]C1CCN(Cc2csc(COc3ccc(Cl)cc3)n2)CC1 ZINC000170986597 824028227 /nfs/dbraw/zinc/02/82/27/824028227.db2.gz IAEJOLJDCADJTE-UHFFFAOYSA-N 1 0 379.957 4.338 20 0 GIADRO Cc1ccc(Cc2cnc(NC(=O)N3CCC([C@H](C)[NH3+])CC3)s2)cc1Cl ZINC000414728054 824028807 /nfs/dbraw/zinc/02/88/07/824028807.db2.gz BWDNVHCOBCIHPG-ZDUSSCGKSA-N 1 0 392.956 4.287 20 0 GIADRO O[C@@H](C[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1)c1ccccc1C(F)(F)F ZINC000170988512 824029040 /nfs/dbraw/zinc/02/90/40/824029040.db2.gz UZCNHOFHECYQDL-VQTJNVASSA-N 1 0 397.412 4.324 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000414728874 824029211 /nfs/dbraw/zinc/02/92/11/824029211.db2.gz DINUXUOPUKQXRH-FQEVSTJZSA-N 1 0 377.492 4.091 20 0 GIADRO COCc1ccc(NC(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCCC2)cc1 ZINC000192550654 824029241 /nfs/dbraw/zinc/02/92/41/824029241.db2.gz KRZNYNZKBJQCEN-NRFANRHFSA-N 1 0 397.519 4.190 20 0 GIADRO C[C@@H](OC[C@H](O)C[NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1)c1ccc(Cl)cc1 ZINC000575917910 824029502 /nfs/dbraw/zinc/02/95/02/824029502.db2.gz ZAAWNRNQVCSTBD-DHWLSRIRSA-N 1 0 389.923 4.288 20 0 GIADRO Cc1ccc(Cc2cnc(NC(=O)N3CCC[C@H]([C@H](C)[NH3+])C3)s2)cc1Cl ZINC000414733156 824030150 /nfs/dbraw/zinc/03/01/50/824030150.db2.gz JRLNTAMAEUDWMX-ZFWWWQNUSA-N 1 0 392.956 4.287 20 0 GIADRO C[C@H]([NH3+])C1CCN(C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)CC1 ZINC000414735369 824030409 /nfs/dbraw/zinc/03/04/09/824030409.db2.gz XMFIBICLWXZNQK-HNNXBMFYSA-N 1 0 394.544 4.478 20 0 GIADRO C[NH2+][C@H]1CCCN(C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)C1 ZINC000414734609 824030415 /nfs/dbraw/zinc/03/04/15/824030415.db2.gz WHWKTEGTNXMZLF-KRWDZBQOSA-N 1 0 380.517 4.103 20 0 GIADRO C[C@H]1CN(C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)CC[C@@H]1[NH3+] ZINC000414739482 824031152 /nfs/dbraw/zinc/03/11/52/824031152.db2.gz FXFNBDBICCGDHI-GWCFXTLKSA-N 1 0 384.427 4.030 20 0 GIADRO C[NH2+]C[C@@H]1CCCN1C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 ZINC000414739776 824031195 /nfs/dbraw/zinc/03/11/95/824031195.db2.gz QFCQMSQZMHFGPJ-LBPRGKRZSA-N 1 0 399.347 4.256 20 0 GIADRO CO[C@H](C[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1)c1ccccc1 ZINC000575931680 824031521 /nfs/dbraw/zinc/03/15/21/824031521.db2.gz VSTARVXWYJGFDI-DYESRHJHSA-N 1 0 385.483 4.047 20 0 GIADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)C1 ZINC000414742788 824031860 /nfs/dbraw/zinc/03/18/60/824031860.db2.gz UFWYUECJIQIAIG-DZGCQCFKSA-N 1 0 378.929 4.026 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)CC[NH2+]1 ZINC000414742718 824031946 /nfs/dbraw/zinc/03/19/46/824031946.db2.gz ILYXPEGFHCSXTQ-MFKMUULPSA-N 1 0 384.427 4.091 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000414746394 824032411 /nfs/dbraw/zinc/03/24/11/824032411.db2.gz YURPMCPWRSYXOO-NRFANRHFSA-N 1 0 391.519 4.434 20 0 GIADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)C1 ZINC000414753992 824033211 /nfs/dbraw/zinc/03/32/11/824033211.db2.gz XEGVRCCLNUHMGC-DGCLKSJQSA-N 1 0 398.454 4.420 20 0 GIADRO COc1ccc(NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)cc1Cl ZINC000192566824 824033622 /nfs/dbraw/zinc/03/36/22/824033622.db2.gz DYAMWTDBAAYINA-UHFFFAOYSA-N 1 0 387.911 4.177 20 0 GIADRO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N2CCC[C@@H]2c2cccc3ccccc32)cc1 ZINC000414758903 824033672 /nfs/dbraw/zinc/03/36/72/824033672.db2.gz VPBAMCSJVREREW-OPAMFIHVSA-N 1 0 387.483 4.162 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)NCc2ccc([C@@H](C)[NH3+])cc2)c(C(F)(F)F)c1 ZINC000414767266 824034522 /nfs/dbraw/zinc/03/45/22/824034522.db2.gz JMQNEJAVPIOBIT-LLVKDONJSA-N 1 0 394.397 4.005 20 0 GIADRO [NH3+]C[C@@H](NC(=O)Nc1cccc(NC(=O)c2cccs2)c1)C1CCCCC1 ZINC000414768902 824034582 /nfs/dbraw/zinc/03/45/82/824034582.db2.gz IZCUOXQUOCBFFD-QGZVFWFLSA-N 1 0 386.521 4.030 20 0 GIADRO CO[C@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)[C@H](C[NH3+])C1 ZINC000414775017 824035110 /nfs/dbraw/zinc/03/51/10/824035110.db2.gz BIIOWHWEFWBPKL-RDJZCZTQSA-N 1 0 389.883 4.102 20 0 GIADRO CC(C)C[C@](C)(C[NH3+])NC(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000414781143 824035486 /nfs/dbraw/zinc/03/54/86/824035486.db2.gz VJONBJCUYMIHLO-OAQYLSRUSA-N 1 0 383.496 4.216 20 0 GIADRO CCCc1ccc([C@@H](NC(=O)C(=O)Nc2ccc([C@H](C)[NH3+])cc2)C(C)C)cc1 ZINC000414784049 824035711 /nfs/dbraw/zinc/03/57/11/824035711.db2.gz RISRBHBMOHZSHP-KKSFZXQISA-N 1 0 381.520 4.111 20 0 GIADRO CCOc1cc(CNC2CC[NH2+]CC2)ccc1OCc1c(F)cccc1Cl ZINC000414790069 824036522 /nfs/dbraw/zinc/03/65/22/824036522.db2.gz ORSKEXIIWNIMFT-UHFFFAOYSA-N 1 0 392.902 4.298 20 0 GIADRO CC[C@H](C)Oc1ccccc1/C=C/C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000192576966 824036573 /nfs/dbraw/zinc/03/65/73/824036573.db2.gz LVDLSWHRDPVTEW-VYENPZKTSA-N 1 0 393.531 4.053 20 0 GIADRO [NH3+]C1CCC(NC(=O)Nc2ccc(OC(F)F)c(Cc3ccccc3)c2)CC1 ZINC000414799635 824037277 /nfs/dbraw/zinc/03/72/77/824037277.db2.gz YHIADRASLXOSCJ-UHFFFAOYSA-N 1 0 389.446 4.270 20 0 GIADRO Cc1ccc(NC(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)cc1Br ZINC000414797485 824037344 /nfs/dbraw/zinc/03/73/44/824037344.db2.gz YSBFJEPDIWTXJA-WMLDXEAASA-N 1 0 380.330 4.144 20 0 GIADRO CCOc1c(Br)cc(CNc2ccc([C@@H](C)[NH3+])cc2)cc1OC ZINC000414815791 824039022 /nfs/dbraw/zinc/03/90/22/824039022.db2.gz VESMIJSQYFKGJL-GFCCVEGCSA-N 1 0 379.298 4.488 20 0 GIADRO CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000414834797 824040225 /nfs/dbraw/zinc/04/02/25/824040225.db2.gz QVYDMXFRXLLQBI-LIRRHRJNSA-N 1 0 387.911 4.154 20 0 GIADRO Cc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000414851247 824041740 /nfs/dbraw/zinc/04/17/40/824041740.db2.gz NYPNVMUWDAUIGT-QGZVFWFLSA-N 1 0 383.540 4.071 20 0 GIADRO O=C(NCC(F)(F)c1ccc(Cl)cc1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000575976552 824042941 /nfs/dbraw/zinc/04/29/41/824042941.db2.gz NWQIPNKHRCDRKG-KSSFIOAISA-N 1 0 397.897 4.090 20 0 GIADRO Cc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000414856303 824043063 /nfs/dbraw/zinc/04/30/63/824043063.db2.gz YRHGMGXPHNNBHH-DLBZAZTESA-N 1 0 383.540 4.069 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)Nc2ccc(OC(F)F)c(Cl)c2)cc1 ZINC000192602395 824043311 /nfs/dbraw/zinc/04/33/11/824043311.db2.gz ASBFLDWMTMXOJE-UHFFFAOYSA-N 1 0 383.826 4.325 20 0 GIADRO COc1ccc([C@H]2CC[NH2+]C[C@@H]2NCc2nc(-c3ccccc3)cs2)cc1 ZINC000414876315 824043936 /nfs/dbraw/zinc/04/39/36/824043936.db2.gz DDAMTVXWOSJTHS-UXHICEINSA-N 1 0 379.529 4.054 20 0 GIADRO C[C@H](CC(=O)N1CCc2ccccc2[C@H]1Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000575986250 824044826 /nfs/dbraw/zinc/04/48/26/824044826.db2.gz YHUZDJWNQAGYRL-ZFJSRUIDSA-N 1 0 376.544 4.381 20 0 GIADRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000414883781 824044910 /nfs/dbraw/zinc/04/49/10/824044910.db2.gz DOSZLDZKWMCMEC-LPHOPBHVSA-N 1 0 395.507 4.278 20 0 GIADRO COc1ccc([C@H]2CC[NH2+]C[C@@H]2NCc2cnc(-c3cccs3)s2)cc1 ZINC000414886931 824045431 /nfs/dbraw/zinc/04/54/31/824045431.db2.gz QDPYDUHZHGYRJB-MSOLQXFVSA-N 1 0 385.558 4.116 20 0 GIADRO Cc1ncc2n1C[C@@H](C(=O)N1CCC[C@H]1c1nc3ccccc3n1C(C)C)CC2 ZINC000575993495 824045752 /nfs/dbraw/zinc/04/57/52/824045752.db2.gz CQMHECYGDMDBFU-UWJYYQICSA-N 1 0 391.519 4.048 20 0 GIADRO O=C(CCc1ccc(F)cc1F)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000575995602 824046035 /nfs/dbraw/zinc/04/60/35/824046035.db2.gz QZYYEWKTAJVROJ-QHCPKHFHSA-N 1 0 384.470 4.022 20 0 GIADRO Cc1cc(Br)cc(C)c1NC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000414891146 824046417 /nfs/dbraw/zinc/04/64/17/824046417.db2.gz VGAJQLHZTYHWNE-DOTOQJQBSA-N 1 0 394.357 4.452 20 0 GIADRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)NCC1(C)CC[NH2+]CC1 ZINC000414901594 824047529 /nfs/dbraw/zinc/04/75/29/824047529.db2.gz XGYUNTCZDWODMK-UHFFFAOYSA-N 1 0 395.507 4.150 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)N1CC[C@](F)(c2ccccc2)C1 ZINC000576005553 824048233 /nfs/dbraw/zinc/04/82/33/824048233.db2.gz YMYOGDLNFSWYJE-SIKLNZKXSA-N 1 0 385.483 4.087 20 0 GIADRO Clc1cccc(Cl)c1CCC[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000192623285 824048280 /nfs/dbraw/zinc/04/82/80/824048280.db2.gz WTBGGNZUAQVXPE-AWEZNQCLSA-N 1 0 379.335 4.343 20 0 GIADRO CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]Cc1ccccc1Cn1cccn1)CCC2 ZINC000192625976 824049311 /nfs/dbraw/zinc/04/93/11/824049311.db2.gz DGLRDAJODWDTLG-IBGZPJMESA-N 1 0 393.487 4.177 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc2c(c1)sc(=O)n2C)c1cccc(OC(F)(F)F)c1 ZINC000192628344 824049835 /nfs/dbraw/zinc/04/98/35/824049835.db2.gz ONTUIBXJAGTQGP-LLVKDONJSA-N 1 0 382.407 4.349 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCCc2cc(N)ccc21 ZINC000414921841 824050631 /nfs/dbraw/zinc/05/06/31/824050631.db2.gz DZVCJNKODRFYPF-SCLBCKFNSA-N 1 0 387.911 4.315 20 0 GIADRO COc1ccc2onc(CC(=O)Nc3ccc(C[N@@H+]4CCC[C@H](C)C4)cc3)c2c1 ZINC000414928424 824051451 /nfs/dbraw/zinc/05/14/51/824051451.db2.gz NBVDGBCFBHFHLQ-INIZCTEOSA-N 1 0 393.487 4.250 20 0 GIADRO CCc1cccc2c(CC(=O)NC[C@H](c3ccc(SC)cc3)[NH+](C)C)c[nH]c21 ZINC000576022395 824051506 /nfs/dbraw/zinc/05/15/06/824051506.db2.gz DLTPZSLOIYDALR-OAQYLSRUSA-N 1 0 395.572 4.414 20 0 GIADRO COc1ccc(Cn2nc(C)c(C[NH2+][C@H]3CCCc4cc(N)ccc43)c2C)cc1 ZINC000414936740 824051937 /nfs/dbraw/zinc/05/19/37/824051937.db2.gz VENGYSQMQJZJPZ-DEOSSOPVSA-N 1 0 390.531 4.306 20 0 GIADRO Cc1cccnc1C(C)(C)C[NH2+][C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000576033152 824054448 /nfs/dbraw/zinc/05/44/48/824054448.db2.gz BQZYJVCWQAXDOW-KRWDZBQOSA-N 1 0 387.955 4.348 20 0 GIADRO C[C@H](c1ccncc1)[NH+]1CCC(NCc2c(F)cccc2Br)CC1 ZINC000192645951 824055420 /nfs/dbraw/zinc/05/54/20/824055420.db2.gz ROLUDLITLWMDPF-CQSZACIVSA-N 1 0 392.316 4.298 20 0 GIADRO COc1ccc([C@H](O)[C@H]2CCC[N@@H+]2Cc2nnc(-c3ccc(Cl)cc3)o2)cc1 ZINC000359979796 209209508 /nfs/dbraw/zinc/20/95/08/209209508.db2.gz VGMFHWXZIVCCLR-QUCCMNQESA-N 1 0 399.878 4.097 20 0 GIADRO [NH3+]C1CC2(C1)CCN(C(F)(F)c1ccc3c(Cl)nc(Cl)nc3c1)CC2 ZINC001164388141 718801797 /nfs/dbraw/zinc/80/17/97/718801797.db2.gz UZNRYBNXTGHFCR-UHFFFAOYSA-N 1 0 387.261 4.189 20 0 GIADRO Fc1ccc2nc(C(F)(F)N3CCC4(CCCC[NH2+]4)CC3)nc(Cl)c2c1 ZINC001164387766 718802969 /nfs/dbraw/zinc/80/29/69/718802969.db2.gz PDRCEKSXGGQOMN-UHFFFAOYSA-N 1 0 384.833 4.080 20 0 GIADRO FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CCC2(CCCC[NH2+]2)CC1 ZINC001164388584 718803754 /nfs/dbraw/zinc/80/37/54/718803754.db2.gz XGNBGTRMZSCFHI-UHFFFAOYSA-N 1 0 392.881 4.454 20 0 GIADRO Cc1ccc(Cl)nc1C(F)(F)N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001164413455 718880448 /nfs/dbraw/zinc/88/04/48/718880448.db2.gz INWGEKHLDDBTFP-NSHDSACASA-N 1 0 383.792 4.242 20 0 GIADRO Fc1ccc(Cl)nc1C(F)(F)N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001164413813 718880688 /nfs/dbraw/zinc/88/06/88/718880688.db2.gz NUQCVEIQLJMIAF-SNVBAGLBSA-N 1 0 387.755 4.072 20 0 GIADRO Cc1ccc(C(F)(F)N2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)nc1Cl ZINC001164618313 719046328 /nfs/dbraw/zinc/04/63/28/719046328.db2.gz AMGKIRHGQFUZMQ-APWZRJJASA-N 1 0 377.866 4.172 20 0 GIADRO CCOC(=O)c1cc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)ncc1Cl ZINC001164623665 719058434 /nfs/dbraw/zinc/05/84/34/719058434.db2.gz KHVTTWPASBTWGU-FXAWDEMLSA-N 1 0 399.922 4.013 20 0 GIADRO Cc1nc2cc(F)ccc2c(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164624356 719068067 /nfs/dbraw/zinc/06/80/67/719068067.db2.gz LJTRQUSBMJCDFM-XMSQKQJNSA-N 1 0 376.479 4.178 20 0 GIADRO CC(C)(C)OC(=O)c1ccc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1 ZINC001164623651 719077109 /nfs/dbraw/zinc/07/71/09/719077109.db2.gz KBPRBTUWRCGXKG-SFTDATJTSA-N 1 0 393.531 4.138 20 0 GIADRO Clc1cccc2nc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)ncc12 ZINC001164628524 719082878 /nfs/dbraw/zinc/08/28/78/719082878.db2.gz SFAUJNAWCALXER-UWJYYQICSA-N 1 0 378.907 4.384 20 0 GIADRO Clc1ccnc2nc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)ccc12 ZINC001164628879 719083666 /nfs/dbraw/zinc/08/36/66/719083666.db2.gz UEWIOCFUQMYGCR-XLIONFOSSA-N 1 0 378.907 4.384 20 0 GIADRO Fc1cccc(-c2ccc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)nn2)c1 ZINC001164632525 719103139 /nfs/dbraw/zinc/10/31/39/719103139.db2.gz ZQZNIDJWYKCPHE-NZQKXSOJSA-N 1 0 388.490 4.384 20 0 GIADRO COCc1nc2scc(-c3ccccc3)c2c(N2C[C@H](C)[N@H+](C)C[C@H]2C)n1 ZINC000508374630 719245754 /nfs/dbraw/zinc/24/57/54/719245754.db2.gz FHRIQHQHHMGCGT-LSDHHAIUSA-N 1 0 382.533 4.034 20 0 GIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nnc(Cl)cc2Cl)CC3)cs1 ZINC001164692943 719804644 /nfs/dbraw/zinc/80/46/44/719804644.db2.gz QSINTPGFYZJBLG-UHFFFAOYSA-N 1 0 398.363 4.183 20 0 GIADRO COc1ccc(Cl)nc1N1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001164692608 719809456 /nfs/dbraw/zinc/80/94/56/719809456.db2.gz LDCYQYDATPRNGO-UHFFFAOYSA-N 1 0 392.956 4.144 20 0 GIADRO COc1cnc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)c(Cl)c1 ZINC001164692631 719811311 /nfs/dbraw/zinc/81/13/11/719811311.db2.gz PUEWISFLSVTPOC-UHFFFAOYSA-N 1 0 392.956 4.144 20 0 GIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(Cl)nc3ccsc31)C2 ZINC001164814229 720098931 /nfs/dbraw/zinc/09/89/31/720098931.db2.gz WFSUYEJDHIXMEA-FOIQADDNSA-N 1 0 391.968 4.134 20 0 GIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nccc3cccc(Cl)c31)C2 ZINC001164814465 720122093 /nfs/dbraw/zinc/12/20/93/720122093.db2.gz SZQXCMGCBAMLBQ-AVRDEDQJSA-N 1 0 385.939 4.073 20 0 GIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc3ccc(Cl)c(C)c3n1)C2 ZINC001164814377 720151998 /nfs/dbraw/zinc/15/19/98/720151998.db2.gz FXZWHFYNMBYCAC-CVDCTZTESA-N 1 0 399.966 4.381 20 0 GIADRO Fc1ccc2nc(Cl)cc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c2c1 ZINC001164729770 720357226 /nfs/dbraw/zinc/35/72/26/720357226.db2.gz XYGHZFOFSAEMDK-RBUKOAKNSA-N 1 0 382.870 4.276 20 0 GIADRO Cc1ccc2c(c1)nc(Cl)cc2N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164726510 720397366 /nfs/dbraw/zinc/39/73/66/720397366.db2.gz OZWPVTBWJATUQZ-WOJBJXKFSA-N 1 0 378.907 4.445 20 0 GIADRO Cc1cc2nc(Cl)c(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)nc2cc1C ZINC001164725815 720405381 /nfs/dbraw/zinc/40/53/81/720405381.db2.gz NQUJRFXMEVLSIV-PMACEKPBSA-N 1 0 393.922 4.148 20 0 GIADRO Cc1ccc2c(c1)cc(Cl)nc2N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164727768 720414801 /nfs/dbraw/zinc/41/48/01/720414801.db2.gz FAYMGVOTKNWQLM-WOJBJXKFSA-N 1 0 378.907 4.445 20 0 GIADRO CC(C)(C)c1cc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)nc(C(C)(C)C)n1 ZINC001164734772 720431922 /nfs/dbraw/zinc/43/19/22/720431922.db2.gz UHVZRFLCWAUMDS-RTBURBONSA-N 1 0 393.579 4.320 20 0 GIADRO Fc1ccc(Cl)c2ccc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)nc12 ZINC001164724782 720473738 /nfs/dbraw/zinc/47/37/38/720473738.db2.gz HHTYKOTZEKIRRH-MOPGFXCFSA-N 1 0 382.870 4.276 20 0 GIADRO COc1cc2cnc(Cl)cc2cc1N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164731649 720489605 /nfs/dbraw/zinc/48/96/05/720489605.db2.gz XEZHYXQYUNQWKS-RBUKOAKNSA-N 1 0 394.906 4.145 20 0 GIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@]3(CCC(=O)N3)[C@H]2CC)nc1 ZINC001164849001 720757409 /nfs/dbraw/zinc/75/74/09/720757409.db2.gz RUKIRKLQLRMPBZ-TXTKFYIRSA-N 1 0 384.568 4.046 20 0 GIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3OCCC[C@]3(COC)C2)nc1 ZINC001164847018 720828783 /nfs/dbraw/zinc/82/87/83/720828783.db2.gz HOYBMFAQRMOVDQ-FUPPJEDESA-N 1 0 387.568 4.041 20 0 GIADRO Cc1ccc(-c2ccc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@H]3C)nn2)cc1 ZINC001164861599 721000067 /nfs/dbraw/zinc/00/00/67/721000067.db2.gz QAIFVCALDDFUAA-GOSISDBHSA-N 1 0 390.535 4.070 20 0 GIADRO Cc1nc2sc3c(c2c(N2CC4(C2)CC[N@H+](CC2CC2)C4)n1)CCCCC3 ZINC001164769681 721299103 /nfs/dbraw/zinc/29/91/03/721299103.db2.gz LLFFHRUFXDNRFG-UHFFFAOYSA-N 1 0 382.577 4.191 20 0 GIADRO Cc1ccc2c(c1)nc(Cl)cc2N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164786233 721415082 /nfs/dbraw/zinc/41/50/82/721415082.db2.gz OHAWGQGJBPBZLF-GASCZTMLSA-N 1 0 384.936 4.221 20 0 GIADRO Cc1cc2ccccc2c(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164903021 721545001 /nfs/dbraw/zinc/54/50/01/721545001.db2.gz BVBXAVPINILQOZ-TZIWHRDSSA-N 1 0 377.463 4.024 20 0 GIADRO Cc1cc(Cl)cc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164908470 721584953 /nfs/dbraw/zinc/58/49/53/721584953.db2.gz ZIBVLNUDMHMKQX-IBGZPJMESA-N 1 0 392.881 4.176 20 0 GIADRO Cc1nc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)ccc1Cl ZINC001164908360 721699371 /nfs/dbraw/zinc/69/93/71/721699371.db2.gz YMZMZVKGEWAPIN-IBGZPJMESA-N 1 0 392.881 4.176 20 0 GIADRO Cc1cc(Cl)c(C)c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165023501 721815482 /nfs/dbraw/zinc/81/54/82/721815482.db2.gz HGPGNVSMCPGQFI-CUWPLCDZSA-N 1 0 384.955 4.484 20 0 GIADRO Cc1cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc(C(C)(C)C)n1 ZINC001165019925 721825922 /nfs/dbraw/zinc/82/59/22/721825922.db2.gz CNDXLMZVNVOPLL-TYPHKJRUSA-N 1 0 393.579 4.214 20 0 GIADRO Cc1cc2cccnc2c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165023072 721828464 /nfs/dbraw/zinc/82/84/64/721828464.db2.gz HJVBTSUXAXDYNZ-NNWRFLSQSA-N 1 0 387.531 4.070 20 0 GIADRO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1cc(-c2ccccc2)c2ccccc2n1 ZINC001164930551 721877628 /nfs/dbraw/zinc/87/76/28/721877628.db2.gz DEWCJBOVYPWAAP-ZEQRLZLVSA-N 1 0 386.543 4.116 20 0 GIADRO C[NH+](C)[C@@H]1CCCN(C(F)(F)c2ccc3c(Cl)nc(Cl)nc3c2)C1 ZINC001165040473 721892386 /nfs/dbraw/zinc/89/23/86/721892386.db2.gz XBAHEBSMIOHBID-LLVKDONJSA-N 1 0 375.250 4.012 20 0 GIADRO CN(CC1CC[NH+](C)CC1)C(F)(F)c1cccc2c(Cl)nc(Cl)nc21 ZINC001165041183 721934389 /nfs/dbraw/zinc/93/43/89/721934389.db2.gz JETPXGQCQVFYPA-UHFFFAOYSA-N 1 0 389.277 4.260 20 0 GIADRO C[NH+](C)CC1CCN(C(F)(F)c2cccc(-c3ccc(Cl)nn3)c2)CC1 ZINC001165044894 721950154 /nfs/dbraw/zinc/95/01/54/721950154.db2.gz JZNFWQAALVOXHU-UHFFFAOYSA-N 1 0 380.870 4.120 20 0 GIADRO C[NH+](C)CC1CCN(C(F)(F)c2cc(-c3ccc(F)cc3)nnc2Cl)CC1 ZINC001165042350 721951535 /nfs/dbraw/zinc/95/15/35/721951535.db2.gz KVJFAGWBYYAQFV-UHFFFAOYSA-N 1 0 398.860 4.259 20 0 GIADRO CC[NH+](CC)C1CCN(c2nc3ccccc3nc2N2CCCC[C@H]2C)CC1 ZINC001165053035 722005537 /nfs/dbraw/zinc/00/55/37/722005537.db2.gz HGYOEQVRFNVWTK-GOSISDBHSA-N 1 0 381.568 4.319 20 0 GIADRO CSc1ccnc(Cl)c1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164955692 722019358 /nfs/dbraw/zinc/01/93/58/722019358.db2.gz NKVUWQGGPWOREM-UHFFFAOYSA-N 1 0 388.968 4.344 20 0 GIADRO Cc1ccc(N2C[C@@]3(CC[N@@H+](C(C)(C)c4ccnc(Cl)c4)C3)CC2=O)s1 ZINC001164964960 722044821 /nfs/dbraw/zinc/04/48/21/722044821.db2.gz WKOSXJUPXJYPOL-FQEVSTJZSA-N 1 0 389.952 4.469 20 0 GIADRO Cc1cccc2c1ncnc2N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164992658 722196416 /nfs/dbraw/zinc/19/64/16/722196416.db2.gz AMUCZXAVZXXBDZ-HSZRJFAPSA-N 1 0 376.479 4.322 20 0 GIADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2nnc(Cl)c4cccnc42)C3)c1 ZINC001164996009 722200519 /nfs/dbraw/zinc/20/05/19/722200519.db2.gz RJIQYMOHESHKAQ-NRFANRHFSA-N 1 0 397.885 4.062 20 0 GIADRO COc1nc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc2ccccc21 ZINC001164995584 722202920 /nfs/dbraw/zinc/20/29/20/722202920.db2.gz OKTUFLDJJRBHFE-HSZRJFAPSA-N 1 0 392.478 4.022 20 0 GIADRO Cc1ccc(-c2ccc(N3CCC[C@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)nn2)o1 ZINC001164993781 722209783 /nfs/dbraw/zinc/20/97/83/722209783.db2.gz BGRMAHFMMOFYKW-QHCPKHFHSA-N 1 0 392.478 4.429 20 0 GIADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CC(c2ccc(Cl)cc2)C1 ZINC000458485115 823046344 /nfs/dbraw/zinc/04/63/44/823046344.db2.gz IRRSJKHDIUVLFG-UHFFFAOYSA-N 1 0 375.944 4.246 20 0 GIADRO C[C@H]([NH2+]CCOc1ncc(Cl)cc1Cl)c1ccc(Br)cn1 ZINC000570497771 823046664 /nfs/dbraw/zinc/04/66/64/823046664.db2.gz UPRFFFZJZZRRLL-VIFPVBQESA-N 1 0 391.096 4.276 20 0 GIADRO COc1ccccc1CSc1ccccc1NC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000570498514 823046715 /nfs/dbraw/zinc/04/67/15/823046715.db2.gz KCZKMKVPBIYSLW-WBVHZDCISA-N 1 0 385.533 4.107 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)N[C@H](Cc2ccccc2)c2nc3ccccc3s2)CC[NH2+]1 ZINC000570501471 823047127 /nfs/dbraw/zinc/04/71/27/823047127.db2.gz IOUONXWHYXABPC-SZVBFZGTSA-N 1 0 394.544 4.020 20 0 GIADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)N[C@H](c3ccccc3)c3ccc(Cl)cc3)C[C@@H]21 ZINC000570500979 823046865 /nfs/dbraw/zinc/04/68/65/823046865.db2.gz ABYWOHHCSOPPBB-GFOJFJKKSA-N 1 0 383.923 4.198 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)NC[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000458494386 823047164 /nfs/dbraw/zinc/04/71/64/823047164.db2.gz GIHCLOXJTVDQIM-CVEARBPZSA-N 1 0 391.503 4.190 20 0 GIADRO C[C@H]([NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000570502284 823047200 /nfs/dbraw/zinc/04/72/00/823047200.db2.gz NTLSZYROOKGRHT-XUEUYAKLSA-N 1 0 389.511 4.213 20 0 GIADRO C[C@H](CCCc1cccnc1)NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000458491521 823047176 /nfs/dbraw/zinc/04/71/76/823047176.db2.gz JZTLTHNMDJUUGN-TXTKFYIRSA-N 1 0 394.563 4.145 20 0 GIADRO CCC(CC)[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2S(=O)(=O)CC)CCO1 ZINC000187355386 823048358 /nfs/dbraw/zinc/04/83/58/823048358.db2.gz ULAXGOQKFLILCD-WMZOPIPTSA-N 1 0 387.973 4.207 20 0 GIADRO CC[NH+](CC)CCN(C(=O)c1cc(C)c(C)o1)c1ccc(Br)cn1 ZINC000570519136 823049069 /nfs/dbraw/zinc/04/90/69/823049069.db2.gz BUJYMIYFYOHLKY-UHFFFAOYSA-N 1 0 394.313 4.043 20 0 GIADRO O=C(CC[N@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1)Nc1ccc(Cl)cc1F ZINC000175830113 823049851 /nfs/dbraw/zinc/04/98/51/823049851.db2.gz IIMCDHAICYWZBY-RHSMWYFYSA-N 1 0 396.915 4.457 20 0 GIADRO Cc1cc(Br)cc([C@H](C)[NH2+]Cc2ccc([S@@](C)=O)cc2)c1O ZINC000187362258 823049932 /nfs/dbraw/zinc/04/99/32/823049932.db2.gz VVADJOQKDOHIDO-AMXDTQDGSA-N 1 0 382.323 4.051 20 0 GIADRO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc(OCc2ccccc2F)nc1 ZINC000187369202 823050902 /nfs/dbraw/zinc/05/09/02/823050902.db2.gz QYIBAMFIMNVKDB-FQEVSTJZSA-N 1 0 380.467 4.477 20 0 GIADRO CC[NH+](CC)CC(=O)Nc1cccc(NCc2cc3cc(OC)ccc3o2)c1 ZINC000570556705 823054115 /nfs/dbraw/zinc/05/41/15/823054115.db2.gz ADSVYKXOFXGJND-UHFFFAOYSA-N 1 0 381.476 4.334 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCC([C@@H]3CCCO3)CC2)cc1 ZINC000187375154 823052011 /nfs/dbraw/zinc/05/20/11/823052011.db2.gz YMIXHSLZGVENFL-XXBNENTESA-N 1 0 399.579 4.162 20 0 GIADRO CC[N@@H+]1CC[C@H](CNC(=O)Nc2cccc(Cl)c2SCC(F)F)C1 ZINC000570550261 823052714 /nfs/dbraw/zinc/05/27/14/823052714.db2.gz ACYDOQDTNBXMPP-LLVKDONJSA-N 1 0 377.888 4.161 20 0 GIADRO O=C(c1ccccc1C(F)(F)F)N1CCC([NH2+]Cc2cccnc2Cl)CC1 ZINC000187380445 823053052 /nfs/dbraw/zinc/05/30/52/823053052.db2.gz WHRJJCXRFUMINR-UHFFFAOYSA-N 1 0 397.828 4.148 20 0 GIADRO CC1CC[NH+]([C@H](CNC(=O)c2occc2Br)c2ccccc2)CC1 ZINC000175847165 823054360 /nfs/dbraw/zinc/05/43/60/823054360.db2.gz BSOLGVFMGJGOTM-QGZVFWFLSA-N 1 0 391.309 4.245 20 0 GIADRO CCC(CC)([NH2+]C[C@H](O)COC1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000120734524 823054549 /nfs/dbraw/zinc/05/45/49/823054549.db2.gz LJCUZRRPIHAHKK-HNNXBMFYSA-N 1 0 390.351 4.155 20 0 GIADRO CN(C(=O)NCC(C)(C)C1CCCC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458579280 823058945 /nfs/dbraw/zinc/05/89/45/823058945.db2.gz FPRNFQULOYFDGC-UHFFFAOYSA-N 1 0 377.495 4.261 20 0 GIADRO C[C@H](CC(=O)N(C)C)[NH2+]C[C@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000120746859 823056161 /nfs/dbraw/zinc/05/61/61/823056161.db2.gz DANRWOPAYKSSLV-QAPCUYQASA-N 1 0 383.923 4.410 20 0 GIADRO CC[S@@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2csc(COc3ccc(C)cc3)n2)C1 ZINC000175865726 823058950 /nfs/dbraw/zinc/05/89/50/823058950.db2.gz JXNVUYGBNYTEIB-KGVVXCLESA-N 1 0 392.590 4.200 20 0 GIADRO O=C(Nc1cc(F)ccc1OCC(F)(F)F)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000175857989 823056569 /nfs/dbraw/zinc/05/65/69/823056569.db2.gz UOTSHJGDACCQLU-ZDUSSCGKSA-N 1 0 388.405 4.360 20 0 GIADRO C[NH+](C)CCN(Cc1cccs1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000175864583 823058688 /nfs/dbraw/zinc/05/86/88/823058688.db2.gz IVTFRJOGIIFBMZ-UHFFFAOYSA-N 1 0 387.427 4.242 20 0 GIADRO Cc1ccc(C[NH2+]C[C@@H]2CCN(c3ccc(F)cc3)C2)c(-c2cnn(C)c2)c1 ZINC000570585387 823057877 /nfs/dbraw/zinc/05/78/77/823057877.db2.gz RHPZXIHYIZNPEV-SFHVURJKSA-N 1 0 378.495 4.151 20 0 GIADRO CC(C)Oc1ccc(-c2nc(C(=O)N(C)[C@H]3CC[N@H+](C)C[C@@H]3C)cs2)cc1 ZINC000120755915 823057920 /nfs/dbraw/zinc/05/79/20/823057920.db2.gz UQOHPJNADYPYKX-KXBFYZLASA-N 1 0 387.549 4.010 20 0 GIADRO Cc1ccccc1C[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)C1CC1 ZINC000570588073 823058263 /nfs/dbraw/zinc/05/82/63/823058263.db2.gz CJKHQSAVKNPBFO-PWHSHALESA-N 1 0 379.548 4.115 20 0 GIADRO Cc1ccc(Cl)c(NC(=O)N(C)C2CC[NH+](CCc3ccccn3)CC2)c1 ZINC000120781986 823062992 /nfs/dbraw/zinc/06/29/92/823062992.db2.gz IBKFYIMAURFFIJ-UHFFFAOYSA-N 1 0 386.927 4.214 20 0 GIADRO CN(C(=O)NCC1CCC(C)(C)CC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458582093 823059354 /nfs/dbraw/zinc/05/93/54/823059354.db2.gz MQYCBWNPEIQSKU-UHFFFAOYSA-N 1 0 377.495 4.261 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)C1CCS(=O)(=O)CC1 ZINC000187416917 823059502 /nfs/dbraw/zinc/05/95/02/823059502.db2.gz BFCXZIFJZOTGML-QBIMZIAESA-N 1 0 389.483 4.144 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)C1CCS(=O)(=O)CC1 ZINC000187416862 823059566 /nfs/dbraw/zinc/05/95/66/823059566.db2.gz BFCXZIFJZOTGML-FDQGKXFDSA-N 1 0 389.483 4.144 20 0 GIADRO C[C@H](C[C@H](O)c1ccco1)[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000120766953 823060132 /nfs/dbraw/zinc/06/01/32/823060132.db2.gz XMBIUSYQVWTASV-GUXCAODWSA-N 1 0 391.533 4.159 20 0 GIADRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)N1CC(C)(CC(F)(F)F)C1 ZINC000458591678 823060597 /nfs/dbraw/zinc/06/05/97/823060597.db2.gz XJYPHZVGLIYSMV-HOTGVXAUSA-N 1 0 397.485 4.127 20 0 GIADRO COc1ccc2nc(C[NH2+][C@@H](C)c3cccc(N4CCOC4=O)c3)sc2c1 ZINC000187423346 823060955 /nfs/dbraw/zinc/06/09/55/823060955.db2.gz SYPIOAIGSZXEMH-ZDUSSCGKSA-N 1 0 383.473 4.112 20 0 GIADRO COC(=O)COc1c(C)cc(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)cc1C ZINC000120772814 823061164 /nfs/dbraw/zinc/06/11/64/823061164.db2.gz WUGJLWUFFWTUTI-UGKGYDQZSA-N 1 0 397.515 4.113 20 0 GIADRO O=C(CC[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1)N1CCc2sccc2C1 ZINC000055898149 823063303 /nfs/dbraw/zinc/06/33/03/823063303.db2.gz RFCBDZODDDLQDD-QGZVFWFLSA-N 1 0 397.569 4.470 20 0 GIADRO COc1cc(NC(=O)N(CC[NH+](C)C)Cc2cccs2)c(OC)cc1Cl ZINC000175875709 823061613 /nfs/dbraw/zinc/06/16/13/823061613.db2.gz MBAOGHJUGUPDEM-UHFFFAOYSA-N 1 0 397.928 4.014 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N1CC[C@H](c2cccc(Cl)c2)C1 ZINC000458601080 823061895 /nfs/dbraw/zinc/06/18/95/823061895.db2.gz DJOYPICFLVAEGU-IBGZPJMESA-N 1 0 398.938 4.151 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)CC[C@@H]1CCOC1)c1ccc(C(F)(F)F)cc1 ZINC000175879667 823062460 /nfs/dbraw/zinc/06/24/60/823062460.db2.gz UMJACISMIMAXDG-QAPCUYQASA-N 1 0 386.458 4.021 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)CC[C@H]1CCOC1)c1ccc(C(F)(F)F)cc1 ZINC000175879702 823062559 /nfs/dbraw/zinc/06/25/59/823062559.db2.gz UMJACISMIMAXDG-YJBOKZPZSA-N 1 0 386.458 4.021 20 0 GIADRO C[C@H](NC(=O)NCc1ccc(C(C)(F)F)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000458621822 823065021 /nfs/dbraw/zinc/06/50/21/823065021.db2.gz AYBUMKIGMLGMNI-DOTOQJQBSA-N 1 0 379.495 4.251 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)NCCCC(C)(F)F)c1cccc(C(F)(F)F)c1 ZINC000458634767 823067805 /nfs/dbraw/zinc/06/78/05/823067805.db2.gz DMTDAHPIWGMKDN-AWEZNQCLSA-N 1 0 381.389 4.043 20 0 GIADRO Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]CC2(c3ccc4c(c3)OCCO4)CCCC2)C1 ZINC000570638591 823065545 /nfs/dbraw/zinc/06/55/45/823065545.db2.gz WKZFOYINBZEVRA-UYAOXDASSA-N 1 0 395.547 4.319 20 0 GIADRO C[NH+](C)CCN(Cc1cccs1)C(=O)Nc1ccccc1OC(F)(F)F ZINC000175894104 823065547 /nfs/dbraw/zinc/06/55/47/823065547.db2.gz AEMJYERTKQEAIS-UHFFFAOYSA-N 1 0 387.427 4.242 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)Nc2ccc(Sc3ncccn3)cc2C)CC1 ZINC000175894972 823065662 /nfs/dbraw/zinc/06/56/62/823065662.db2.gz FCONDRWRHAOUGS-UHFFFAOYSA-N 1 0 399.564 4.180 20 0 GIADRO Cc1ccn(-c2ccccc2C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)n1 ZINC000570640794 823065859 /nfs/dbraw/zinc/06/58/59/823065859.db2.gz CRLBEJCKZIHDSX-LJQANCHMSA-N 1 0 388.515 4.136 20 0 GIADRO C[C@@H](NC(=O)N1CCc2cccc(Cl)c2C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000458629250 823066566 /nfs/dbraw/zinc/06/65/66/823066566.db2.gz IWSTVLXYXANNPJ-WBVHZDCISA-N 1 0 375.944 4.061 20 0 GIADRO CC(C)C[C@@H](C)Oc1cc(C[NH2+][C@@H](C)c2ccccc2-n2ccnn2)ccn1 ZINC000570649847 823066740 /nfs/dbraw/zinc/06/67/40/823066740.db2.gz QGRGNADFVAXNJY-MSOLQXFVSA-N 1 0 379.508 4.327 20 0 GIADRO C[C@H](NC(=O)N1CC[C@@H](c2cccc(Cl)c2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000458632059 823067120 /nfs/dbraw/zinc/06/71/20/823067120.db2.gz NCYRPYCPWFANKQ-QXAKKESOSA-N 1 0 389.971 4.492 20 0 GIADRO CC[C@@H](CC(F)(F)F)NC(=O)NC[C@@H](c1ccc(SC)cc1)[NH+](C)C ZINC000458638786 823068264 /nfs/dbraw/zinc/06/82/64/823068264.db2.gz ATYRQXULHURDOE-ZFWWWQNUSA-N 1 0 377.476 4.041 20 0 GIADRO COc1ccc(NC(=O)[C@H]([NH2+][C@@H]2CCOC[C@H]2C)c2ccccc2)cc1Cl ZINC000570658527 823068224 /nfs/dbraw/zinc/06/82/24/823068224.db2.gz PERLSFXVEXUUFF-LXGCGDOSSA-N 1 0 388.895 4.043 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc2c(c1)CCCO2 ZINC000175903045 823068316 /nfs/dbraw/zinc/06/83/16/823068316.db2.gz DVZOOXFKXXRJOX-HXUWFJFHSA-N 1 0 393.531 4.388 20 0 GIADRO Cc1cc(C)c(NC(=O)[C@@H](C)N2CC[NH+](CCC(C)(C)C)CC2)c(Cl)c1 ZINC000055933461 823068405 /nfs/dbraw/zinc/06/84/05/823068405.db2.gz HOXGBVAVQDCVBL-QGZVFWFLSA-N 1 0 379.976 4.338 20 0 GIADRO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000055936286 823068447 /nfs/dbraw/zinc/06/84/47/823068447.db2.gz BYKYFKIFCBWNMQ-CQSZACIVSA-N 1 0 386.367 4.374 20 0 GIADRO Cc1ccccc1C[C@H](C)NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000175907488 823069452 /nfs/dbraw/zinc/06/94/52/823069452.db2.gz LYEPEVVOALWUQF-FQEVSTJZSA-N 1 0 379.548 4.232 20 0 GIADRO C[C@H](N[C@H](C[NH+]1CCCC1)c1ccccc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000120814985 823069846 /nfs/dbraw/zinc/06/98/46/823069846.db2.gz HOBDBHYSMSSBKS-HTAPYJJXSA-N 1 0 377.532 4.404 20 0 GIADRO CCC(CC)c1cc(CNC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)on1 ZINC000175908898 823069971 /nfs/dbraw/zinc/06/99/71/823069971.db2.gz HFFMKFIFKDXKLY-SFHVURJKSA-N 1 0 390.572 4.376 20 0 GIADRO O=C(CCCN1CCC[C@@H]1C[NH+]1CCCCC1)c1ccc(Br)cc1 ZINC000570688126 823072198 /nfs/dbraw/zinc/07/21/98/823072198.db2.gz RSVMVVCYEAMIPZ-LJQANCHMSA-N 1 0 393.369 4.362 20 0 GIADRO FC(F)(F)c1cccc(-c2noc(C[N@@H+]3CCC[C@H]3[C@@H]3CCCOC3)n2)c1 ZINC000570679259 823071132 /nfs/dbraw/zinc/07/11/32/823071132.db2.gz QTDVRKLHXPYTPH-ZBFHGGJFSA-N 1 0 381.398 4.146 20 0 GIADRO Cc1ccc2snc(C(=O)N3CC[C@H](C)[N@@H+](Cc4ccccc4)CC3)c2c1 ZINC000570704228 823073840 /nfs/dbraw/zinc/07/38/40/823073840.db2.gz NTOFIYUBKVYSBU-KRWDZBQOSA-N 1 0 379.529 4.341 20 0 GIADRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)c1csc(-c2ccccc2F)n1 ZINC000570706919 823074047 /nfs/dbraw/zinc/07/40/47/823074047.db2.gz BHZWKWLKQNVGJT-AWEZNQCLSA-N 1 0 377.529 4.072 20 0 GIADRO C[C@@H]([NH2+]CCc1cn(C)c2cc(Cl)ccc12)c1ccc2c(c1)OCC(=O)N2 ZINC000570706001 823074260 /nfs/dbraw/zinc/07/42/60/823074260.db2.gz PFOCBJGFGHKFPY-CYBMUJFWSA-N 1 0 383.879 4.056 20 0 GIADRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H]2C[C@@]23CCc2ccccc23)CC1 ZINC000175933488 823076410 /nfs/dbraw/zinc/07/64/10/823076410.db2.gz MMVIYCJIXCCCFJ-AOYPEHQESA-N 1 0 388.555 4.261 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)cc1OCC ZINC000120854402 823077461 /nfs/dbraw/zinc/07/74/61/823077461.db2.gz ZJAXKKZGUVFIFL-JKSUJKDBSA-N 1 0 398.503 4.364 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)NCc1cnc(-c2ccc(Cl)cc2)s1 ZINC000458752645 823081457 /nfs/dbraw/zinc/08/14/57/823081457.db2.gz FPTPRSJBPDYAGF-UHFFFAOYSA-N 1 0 394.972 4.383 20 0 GIADRO C/C(=C/C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1cccc(F)c1 ZINC000120856169 823077594 /nfs/dbraw/zinc/07/75/94/823077594.db2.gz YSTKABQWXNKPMO-ATVHPVEESA-N 1 0 382.479 4.072 20 0 GIADRO CCc1cccc(NC(=O)C(=O)Nc2cccc3c2C[N@@H+]([C@H](C)C(C)C)C3)c1 ZINC000187510652 823077757 /nfs/dbraw/zinc/07/77/57/823077757.db2.gz GPJRPLFHRILINJ-MRXNPFEDSA-N 1 0 379.504 4.186 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)NCCCCCCOc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000187510442 823077824 /nfs/dbraw/zinc/07/78/24/823077824.db2.gz LFRNEKBAALTCJV-MJGOQNOKSA-N 1 0 395.975 4.403 20 0 GIADRO Cc1ccccc1[C@H]1C[C@H](NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000458722203 823078388 /nfs/dbraw/zinc/07/83/88/823078388.db2.gz DCDASIUVTXMRCB-QAQDUYKDSA-N 1 0 397.485 4.299 20 0 GIADRO COc1ccc([C@@H](C)N[C@H](C[NH+]2CCCC2)c2ccccc2)cc1NC(C)=O ZINC000120861704 823078768 /nfs/dbraw/zinc/07/87/68/823078768.db2.gz QAAQARNOGBEMCX-VGOFRKELSA-N 1 0 381.520 4.141 20 0 GIADRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CC(C)(C)[C@H]1c1ccncc1)[NH+](C)C ZINC000458752772 823081612 /nfs/dbraw/zinc/08/16/12/823081612.db2.gz BVVJKXVJFPNDBC-JRGCBEDISA-N 1 0 380.536 4.174 20 0 GIADRO CO[C@@H](C)c1noc(CN2CCCC[C@@H]2Cc2ccccc2Br)n1 ZINC000570744166 823079624 /nfs/dbraw/zinc/07/96/24/823079624.db2.gz FIVNZWLQVLSUOL-DZGCQCFKSA-N 1 0 394.313 4.137 20 0 GIADRO CSc1ccccc1[C@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000458736884 823079734 /nfs/dbraw/zinc/07/97/34/823079734.db2.gz OYCIMQOVWXKQQN-HNNXBMFYSA-N 1 0 377.579 4.304 20 0 GIADRO Cc1ccc(NCc2ccc3c(c2)COC(C)(C)O3)cc1NC(=O)CC[NH+](C)C ZINC000187526556 823081823 /nfs/dbraw/zinc/08/18/23/823081823.db2.gz QXTFFNIZJYXRGD-UHFFFAOYSA-N 1 0 397.519 4.142 20 0 GIADRO Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000056042276 823081197 /nfs/dbraw/zinc/08/11/97/823081197.db2.gz QRTXALFJXPLKPC-UHFFFAOYSA-N 1 0 396.579 4.366 20 0 GIADRO COc1ccc(C[C@H](C)C[NH2+][C@H](c2cnn(C)c2)c2ccc(F)cc2)cc1F ZINC000187527441 823082182 /nfs/dbraw/zinc/08/21/82/823082182.db2.gz MBRBWNKKUHYBME-NYHFZMIOSA-N 1 0 385.458 4.265 20 0 GIADRO Clc1cccc(-c2n[nH]cc2C[NH+]2CCC(c3nnc4ccccn43)CC2)c1 ZINC000120917811 823086639 /nfs/dbraw/zinc/08/66/39/823086639.db2.gz LSQFYJCOCVAUDP-UHFFFAOYSA-N 1 0 392.894 4.152 20 0 GIADRO OC[C@@H](C[NH2+]C1CC(c2cc(F)cc(F)c2)C1)Cc1cc(F)c(F)c(F)c1 ZINC000570760154 823082610 /nfs/dbraw/zinc/08/26/10/823082610.db2.gz BYHPSDAIXWBXBH-RFSCMCKOSA-N 1 0 385.376 4.069 20 0 GIADRO c1ccn2c(c1)nnc2C1CC[NH+](Cc2ccccc2OC2CCCC2)CC1 ZINC000120891050 823082750 /nfs/dbraw/zinc/08/27/50/823082750.db2.gz JGRDPLFDULNYKP-UHFFFAOYSA-N 1 0 376.504 4.430 20 0 GIADRO CCC[C@@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(F)cc1F ZINC000120890217 823082898 /nfs/dbraw/zinc/08/28/98/823082898.db2.gz CGOHIJDARDSENQ-JLTOFOAXSA-N 1 0 396.503 4.407 20 0 GIADRO Cc1cccnc1[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(N2CCCC2)cc1)C(C)C ZINC000120907611 823085141 /nfs/dbraw/zinc/08/51/41/823085141.db2.gz PJROFXHNFVXBBX-RXVVDRJESA-N 1 0 380.536 4.304 20 0 GIADRO COc1cc(C[N@@H+]2CCCN3c4ccccc4C[C@@H]3C2)c(SC)cc1OC ZINC000570773715 823085322 /nfs/dbraw/zinc/08/53/22/823085322.db2.gz DRAVWWYJKAFBSB-GOSISDBHSA-N 1 0 384.545 4.063 20 0 GIADRO CN(C(=O)NC[C@H](c1ccccc1)C1CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000458785211 823085417 /nfs/dbraw/zinc/08/54/17/823085417.db2.gz AWQJKCYPOJRLAP-XMMPIXPASA-N 1 0 391.559 4.486 20 0 GIADRO CN(C(=O)NC1CC[NH+](CC2CC2)CC1)C1c2ccccc2-c2ccccc21 ZINC000175975919 823086402 /nfs/dbraw/zinc/08/64/02/823086402.db2.gz DLFJYYYQWSVBDC-UHFFFAOYSA-N 1 0 375.516 4.272 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@H](c1ccccc1)C1CC1 ZINC000458799462 823087400 /nfs/dbraw/zinc/08/74/00/823087400.db2.gz UWMZGYNEXAXUKT-HSZRJFAPSA-N 1 0 392.547 4.133 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)N[C@@H]2CCc3cc(F)ccc32)CC1 ZINC000175979359 823087669 /nfs/dbraw/zinc/08/76/69/823087669.db2.gz IYGNZFDKLWTTIU-JOCHJYFZSA-N 1 0 381.495 4.119 20 0 GIADRO CCc1nnc(-c2ccc(NC(=O)NCCCC[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)o1 ZINC000176000131 823092253 /nfs/dbraw/zinc/09/22/53/823092253.db2.gz VKIGBJPCNYKWAQ-IRXDYDNUSA-N 1 0 399.539 4.179 20 0 GIADRO CC(=O)NC1CCC([NH2+][C@H]2CCCc3sc(-c4ccc(F)cc4)nc32)CC1 ZINC000187559255 823088314 /nfs/dbraw/zinc/08/83/14/823088314.db2.gz FVQAFDZSTTUVQG-ABHNRTSZSA-N 1 0 387.524 4.364 20 0 GIADRO Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccc(COCC(F)(F)F)cc2)o1 ZINC000120931105 823088582 /nfs/dbraw/zinc/08/85/82/823088582.db2.gz WNRMVPDZMIQGJR-UHFFFAOYSA-N 1 0 379.382 4.347 20 0 GIADRO CCN1CCC([NH+]2CCC(C(=O)N3CCC[C@H]3c3ccc(C)c(C)c3)CC2)CC1 ZINC000570825597 823092355 /nfs/dbraw/zinc/09/23/55/823092355.db2.gz VEELZWQLTKTBNB-DEOSSOPVSA-N 1 0 397.607 4.163 20 0 GIADRO Cc1nc(COC(C)(C)C)oc1C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000570805250 823089500 /nfs/dbraw/zinc/08/95/00/823089500.db2.gz FNOOVLUMXFLPDQ-GOSISDBHSA-N 1 0 391.556 4.073 20 0 GIADRO CCOC(=O)N1CCC([C@@H](C)[NH2+]Cc2ccccc2Oc2cccnc2)CC1 ZINC000187566952 823089574 /nfs/dbraw/zinc/08/95/74/823089574.db2.gz JHSHUXKZPRNQMH-QGZVFWFLSA-N 1 0 383.492 4.221 20 0 GIADRO Fc1ccc(C[NH+]2CCC(c3nnc4ccccn43)CC2)c(C(F)(F)F)c1 ZINC000120936406 823089601 /nfs/dbraw/zinc/08/96/01/823089601.db2.gz GYRNFKNTYVNMCI-UHFFFAOYSA-N 1 0 378.373 4.267 20 0 GIADRO CCOc1ccc(OC)cc1NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000175990437 823090115 /nfs/dbraw/zinc/09/01/15/823090115.db2.gz QPAHULGGDCSNDL-UHFFFAOYSA-N 1 0 397.519 4.222 20 0 GIADRO C[C@@H](NC(=O)Cc1nc(-c2ccc(F)cc2)cs1)[C@H](c1ccccc1)[NH+](C)C ZINC000187570473 823090141 /nfs/dbraw/zinc/09/01/41/823090141.db2.gz BVDXSPFAQKWEJN-IVZQSRNASA-N 1 0 397.519 4.299 20 0 GIADRO CN(CC1CC[NH+](C)CC1)C(=O)CCSc1ccnc2cc(Cl)ccc21 ZINC000175995079 823091031 /nfs/dbraw/zinc/09/10/31/823091031.db2.gz ZYIGQPDWBZNWPY-UHFFFAOYSA-N 1 0 391.968 4.171 20 0 GIADRO CC1CC[NH+](Cc2ccccc2CN[C@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000056155021 823091137 /nfs/dbraw/zinc/09/11/37/823091137.db2.gz OBJZTQRPXQCARK-DEOSSOPVSA-N 1 0 391.559 4.028 20 0 GIADRO COc1ccc(-c2csc3ncnc(N4CC[C@@H]([NH+]5CCCC5)[C@@H]4C)c23)cc1 ZINC000570834239 823093249 /nfs/dbraw/zinc/09/32/49/823093249.db2.gz GARAYIBXCIRSPD-HNAYVOBHSA-N 1 0 394.544 4.430 20 0 GIADRO CC(C)Sc1ccc([C@@H](C)NC(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)cc1 ZINC000176005543 823093586 /nfs/dbraw/zinc/09/35/86/823093586.db2.gz ZROZQLSSSPKPFC-OXQOHEQNSA-N 1 0 378.582 4.158 20 0 GIADRO O=C(c1cc(Br)cc2ccccc21)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000570840221 823093822 /nfs/dbraw/zinc/09/38/22/823093822.db2.gz TYNREYVWQBSAPC-INIZCTEOSA-N 1 0 387.321 4.064 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)NC[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)CC[N@@H+]1C ZINC000458830341 823093809 /nfs/dbraw/zinc/09/38/09/823093809.db2.gz CHYNDJXBYRLLPX-YOKBYHGQSA-N 1 0 384.351 4.221 20 0 GIADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000458832734 823094346 /nfs/dbraw/zinc/09/43/46/823094346.db2.gz HRFYNXSYUYDDDH-HINSOXJESA-N 1 0 384.351 4.079 20 0 GIADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)NCC[C@@H](c2ccccc2)C(F)(F)F)C1 ZINC000458835198 823094968 /nfs/dbraw/zinc/09/49/68/823094968.db2.gz CPCWASOYDMMFFG-HKUYNNGSSA-N 1 0 397.485 4.096 20 0 GIADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NCC[C@@H](c1ccccc1)C(F)(F)F ZINC000458835141 823095018 /nfs/dbraw/zinc/09/50/18/823095018.db2.gz CIUUEPSDADMZIK-ROUUACIJSA-N 1 0 385.474 4.238 20 0 GIADRO CC[NH+]1CCN(c2ccc(N[C@@H](C)C(=O)Nc3cccc(C)c3C)c(C)c2)CC1 ZINC000056170362 823095128 /nfs/dbraw/zinc/09/51/28/823095128.db2.gz MWDQUXJBQNSBRS-FQEVSTJZSA-N 1 0 394.563 4.193 20 0 GIADRO CC[C@H](NC(=O)NCCCCC[NH+]1CCCC1)c1nc(-c2ccccc2)c[nH]1 ZINC000458836014 823095151 /nfs/dbraw/zinc/09/51/51/823095151.db2.gz BEHAWRZYLUIJJK-IBGZPJMESA-N 1 0 383.540 4.093 20 0 GIADRO CC(C)c1ccc(C[NH+]2CCN(c3c(C(=O)[O-])c[nH+]c4ccccc43)CC2)cc1 ZINC000570850396 823095272 /nfs/dbraw/zinc/09/52/72/823095272.db2.gz ZAPVMKSJBGSQGX-UHFFFAOYSA-N 1 0 389.499 4.379 20 0 GIADRO O=C(NC1CC[NH+](C2CCCC2)CC1)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000176011933 823095380 /nfs/dbraw/zinc/09/53/80/823095380.db2.gz UFNQXBSRUCZXQR-UHFFFAOYSA-N 1 0 375.944 4.421 20 0 GIADRO Cc1cccnc1[C@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1Br)C(C)C ZINC000120975262 823095989 /nfs/dbraw/zinc/09/59/89/823095989.db2.gz YYVCUHSRLXUFCN-WMLDXEAASA-N 1 0 390.325 4.466 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)C1 ZINC000458842246 823096174 /nfs/dbraw/zinc/09/61/74/823096174.db2.gz WCLHQYYJXGJEQY-JKIFEVAISA-N 1 0 384.351 4.080 20 0 GIADRO COc1cccc(F)c1[C@H](C)NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000176016553 823096728 /nfs/dbraw/zinc/09/67/28/823096728.db2.gz JIFAQVIWHATFFH-KRWDZBQOSA-N 1 0 399.510 4.201 20 0 GIADRO Cc1ccc(OC2CCN(C(=O)NC3CC[NH+](C4CCCC4)CC3)CC2)cc1C ZINC000176019180 823097064 /nfs/dbraw/zinc/09/70/64/823097064.db2.gz CJCWRMQIPNKGFT-UHFFFAOYSA-N 1 0 399.579 4.263 20 0 GIADRO C[NH+](C)C1CCN(C(=O)N[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)CC1 ZINC000187611000 823097596 /nfs/dbraw/zinc/09/75/96/823097596.db2.gz AMPBJMJFDGYRHK-AWEZNQCLSA-N 1 0 397.363 4.044 20 0 GIADRO O=C(NC1CC[NH+](C2CCCC2)CC1)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000176026445 823099173 /nfs/dbraw/zinc/09/91/73/823099173.db2.gz AOTJYYGSELHKPI-UHFFFAOYSA-N 1 0 394.563 4.464 20 0 GIADRO Cc1nc2ccccn2c(=O)c1CC[NH+]1CCC([C@H](F)c2ccccc2F)CC1 ZINC000570888386 823102862 /nfs/dbraw/zinc/10/28/62/823102862.db2.gz IGFQYHHSOISDBK-QFIPXVFZSA-N 1 0 397.469 4.107 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCc1ccc(Cl)cc1F ZINC000187627508 823100857 /nfs/dbraw/zinc/10/08/57/823100857.db2.gz UQOHDKLPNLIBLQ-UHFFFAOYSA-N 1 0 377.891 4.272 20 0 GIADRO Cc1ccc([C@@H]2CSCCN2C(=O)NC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000176033336 823101397 /nfs/dbraw/zinc/10/13/97/823101397.db2.gz FUYRONNXGISBSE-NRFANRHFSA-N 1 0 387.593 4.202 20 0 GIADRO Cc1ccc([C@H]2CSCCN2C(=O)NC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000176033351 823101430 /nfs/dbraw/zinc/10/14/30/823101430.db2.gz FUYRONNXGISBSE-OAQYLSRUSA-N 1 0 387.593 4.202 20 0 GIADRO CCCO[C@H]1CCCN(C(=O)NC[C@H](c2ccc(SC)cc2)[NH+](C)C)CC1 ZINC000458883924 823101621 /nfs/dbraw/zinc/10/16/21/823101621.db2.gz FRASUMLDKJZRKX-AZUAARDMSA-N 1 0 393.597 4.002 20 0 GIADRO CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000056207115 823103142 /nfs/dbraw/zinc/10/31/42/823103142.db2.gz BHDLEOLORFTACZ-HOTGVXAUSA-N 1 0 399.510 4.422 20 0 GIADRO COc1cc(C[N@H+](C)CCCn2ccnc2C)ccc1OCc1cccs1 ZINC000570885255 823102148 /nfs/dbraw/zinc/10/21/48/823102148.db2.gz ASPIGJJDXRPXCU-UHFFFAOYSA-N 1 0 385.533 4.363 20 0 GIADRO Cc1nc(COc2ccc(N[C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)C3)cc2)no1 ZINC000121010204 823102243 /nfs/dbraw/zinc/10/22/43/823102243.db2.gz WGLORKKPPWDESL-OXQOHEQNSA-N 1 0 378.476 4.032 20 0 GIADRO CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000056207089 823103282 /nfs/dbraw/zinc/10/32/82/823103282.db2.gz CURBSAHVVWCEHL-JYJNAYRXSA-N 1 0 385.483 4.032 20 0 GIADRO CCCCCCOc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1OC ZINC000121018157 823103560 /nfs/dbraw/zinc/10/35/60/823103560.db2.gz GWTOVNLNXOSZRM-PKOBYXMFSA-N 1 0 376.541 4.067 20 0 GIADRO C/C(=C\C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)c1ccccc1Cl ZINC000176041114 823104167 /nfs/dbraw/zinc/10/41/67/823104167.db2.gz GVXLRKYIBNOFPU-SAPNQHFASA-N 1 0 398.934 4.016 20 0 GIADRO Cc1noc(COc2ccc(N[C@@H]3C[C@H](C)[N@@H+](Cc4ccccc4)C3)cc2)n1 ZINC000121024520 823104650 /nfs/dbraw/zinc/10/46/50/823104650.db2.gz SHMWFPJRZNWXKR-OXJNMPFZSA-N 1 0 378.476 4.032 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCC(C)(C)c2ccccn2)CC1 ZINC000458928620 823107641 /nfs/dbraw/zinc/10/76/41/823107641.db2.gz XCQKNXMCPLENSX-IBGZPJMESA-N 1 0 386.584 4.045 20 0 GIADRO C[N@@H+]1CC[C@@H](CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)C1 ZINC000187663868 823108775 /nfs/dbraw/zinc/10/87/75/823108775.db2.gz NDCGCZKKMSKMEK-CQSZACIVSA-N 1 0 388.924 4.284 20 0 GIADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)NCC[C@H]2CCc3ccccc32)CC1 ZINC000458936083 823108903 /nfs/dbraw/zinc/10/89/03/823108903.db2.gz YMGIJALECGRICD-LJQANCHMSA-N 1 0 381.520 4.006 20 0 GIADRO C[C@H](C[C@@H](O)c1ccc(F)cc1)[NH2+]C1CCC2(CC1)C(=O)Nc1ccccc12 ZINC000121050060 823109100 /nfs/dbraw/zinc/10/91/00/823109100.db2.gz XJYKTUVABCNDSX-DTPXVGABSA-N 1 0 382.479 4.060 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)c2ccccc2O1 ZINC000458946378 823109991 /nfs/dbraw/zinc/10/99/91/823109991.db2.gz NERMCPNFMICOAC-XMSQKQJNSA-N 1 0 393.531 4.205 20 0 GIADRO COc1cccc(C[N@@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)c1OC(C)C ZINC000570973742 823113913 /nfs/dbraw/zinc/11/39/13/823113913.db2.gz CAKUECMQWGVUPF-QHCPKHFHSA-N 1 0 387.495 4.049 20 0 GIADRO COc1ccc(C[N@@H+]2CCC[C@@H](c3nc(C(F)(F)F)cn3C)C2)c(C)c1OC ZINC000570972619 823113946 /nfs/dbraw/zinc/11/39/46/823113946.db2.gz HNRPUMNULPRJIV-OAHLLOKOSA-N 1 0 397.441 4.144 20 0 GIADRO CCC[C@@H](NC(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1)C(C)(C)C ZINC000458960969 823111258 /nfs/dbraw/zinc/11/12/58/823111258.db2.gz HHMFSKLEEJQOPZ-OAQYLSRUSA-N 1 0 394.648 4.039 20 0 GIADRO CC(=O)Nc1cccc(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)c1C ZINC000187681630 823112170 /nfs/dbraw/zinc/11/21/70/823112170.db2.gz FUDKQXSROAWWIF-UHFFFAOYSA-N 1 0 397.544 4.063 20 0 GIADRO CC(C)(C)[NH+]1CCC(NC(=O)c2ccccc2CSC2=NCCS2)CC1 ZINC000176072999 823112803 /nfs/dbraw/zinc/11/28/03/823112803.db2.gz RNWCWBQDDVZSSM-UHFFFAOYSA-N 1 0 391.606 4.015 20 0 GIADRO C[C@@H]1CC[C@@H](C)N(C(=O)Nc2cccc(NC(=O)CC[NH+]3CCCCC3)c2)C1 ZINC000121072694 823113177 /nfs/dbraw/zinc/11/31/77/823113177.db2.gz NRMXSVLPKCVMBE-QZTJIDSGSA-N 1 0 386.540 4.153 20 0 GIADRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)C1(Cc2ccccc2F)CC1 ZINC000187693710 823114503 /nfs/dbraw/zinc/11/45/03/823114503.db2.gz RIVONIOUSJWTAE-QGZVFWFLSA-N 1 0 386.536 4.238 20 0 GIADRO Cc1nc2ccccn2c(=O)c1CC[N@@H+]([C@@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000570976062 823114512 /nfs/dbraw/zinc/11/45/12/823114512.db2.gz YZGWQZOQJYYRLN-INIZCTEOSA-N 1 0 381.907 4.424 20 0 GIADRO Cc1ccc(NC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)c(C[NH+](C)C)c1 ZINC000176081367 823114576 /nfs/dbraw/zinc/11/45/76/823114576.db2.gz RAAUCWOQJPPHAT-UHFFFAOYSA-N 1 0 376.460 4.236 20 0 GIADRO CCN(C(=O)NC[C@@H]1CCOC2(CCC2)C1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000459036615 823119281 /nfs/dbraw/zinc/11/92/81/823119281.db2.gz ZXFZEOXALHSCKV-TUNNFDKTSA-N 1 0 399.579 4.203 20 0 GIADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N[C@H](c1cccs1)c1ccc(Cl)cc1 ZINC000121082290 823115234 /nfs/dbraw/zinc/11/52/34/823115234.db2.gz DMFZMFHDYJSHRY-KUHUBIRLSA-N 1 0 389.952 4.274 20 0 GIADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@H](c1ccco1)c1ccccc1 ZINC000570985107 823115708 /nfs/dbraw/zinc/11/57/08/823115708.db2.gz UZUJAECQRPOTCB-GCJKJVERSA-N 1 0 377.488 4.189 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000121089642 823116381 /nfs/dbraw/zinc/11/63/81/823116381.db2.gz NNPULWWVJLIURG-OALUTQOASA-N 1 0 398.469 4.198 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2nn(CCC(C)C)c3ccccc23)C[C@@H]1C ZINC000459014172 823116800 /nfs/dbraw/zinc/11/68/00/823116800.db2.gz UYTZQFFFYOUFQD-OALUTQOASA-N 1 0 399.583 4.097 20 0 GIADRO CCc1ccc(C[C@H](Cc2ccc(Cl)cc2)[NH2+]CCc2cnn(C)c2)nc1 ZINC000571000632 823117927 /nfs/dbraw/zinc/11/79/27/823117927.db2.gz GINDAKXHARQPIJ-QFIPXVFZSA-N 1 0 382.939 4.017 20 0 GIADRO CSc1ccc([C@H](CNC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)[NH+](C)C)cc1 ZINC000571001556 823118260 /nfs/dbraw/zinc/11/82/60/823118260.db2.gz UKHCGROSNDZJPP-LNLFQRSKSA-N 1 0 390.499 4.209 20 0 GIADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)N[C@@H](c2ccc(F)c(Cl)c2)C2CC2)C1 ZINC000459025181 823118332 /nfs/dbraw/zinc/11/83/32/823118332.db2.gz VIRMFLXVLGNKAD-KFKAGJAMSA-N 1 0 379.907 4.056 20 0 GIADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)N[C@H](c2ccc(F)c(Cl)c2)C2CC2)C1 ZINC000459025179 823118382 /nfs/dbraw/zinc/11/83/82/823118382.db2.gz VIRMFLXVLGNKAD-IPELMVKDSA-N 1 0 379.907 4.056 20 0 GIADRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)s1 ZINC000571002933 823118554 /nfs/dbraw/zinc/11/85/54/823118554.db2.gz SWBHOECEBORORK-IGCXYCKISA-N 1 0 397.548 4.212 20 0 GIADRO CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)s1 ZINC000571002938 823118600 /nfs/dbraw/zinc/11/86/00/823118600.db2.gz SWBHOECEBORORK-PBFPGSCMSA-N 1 0 397.548 4.212 20 0 GIADRO CCCn1nc(C)c(C[N@@H+]2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)c1C ZINC000571005746 823118852 /nfs/dbraw/zinc/11/88/52/823118852.db2.gz CQRFVMKNTIMRGO-JOCHJYFZSA-N 1 0 396.579 4.013 20 0 GIADRO CC/C=C/CNC(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000459031387 823119063 /nfs/dbraw/zinc/11/90/63/823119063.db2.gz ZFBVJPISUHANMZ-QPJJXVBHSA-N 1 0 394.357 4.021 20 0 GIADRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1ccc(N2CCOC2=O)cc1 ZINC000187722617 823120049 /nfs/dbraw/zinc/12/00/49/823120049.db2.gz IPQNHNVZZYJMMA-LBPRGKRZSA-N 1 0 375.812 4.056 20 0 GIADRO Cc1ccccc1OCc1noc([C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)n1 ZINC000571020847 823120944 /nfs/dbraw/zinc/12/09/44/823120944.db2.gz RAXLVTMNXYLHPX-ZIAGYGMSSA-N 1 0 383.414 4.333 20 0 GIADRO COc1ccc(SCCC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000176103106 823121434 /nfs/dbraw/zinc/12/14/34/823121434.db2.gz RGUAHUKSPLEDNJ-ICSRJNTNSA-N 1 0 398.572 4.347 20 0 GIADRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2cn(-c3ccc(Cl)c(Cl)c3)cn2)CC1 ZINC000571023325 823121616 /nfs/dbraw/zinc/12/16/16/823121616.db2.gz YKFUNYIVMODNBX-UHFFFAOYSA-N 1 0 395.334 4.126 20 0 GIADRO C[C@H]1C[C@H](NC(=O)c2cc(-c3cccs3)on2)CC[N@@H+]1Cc1ccccc1 ZINC000176103246 823121622 /nfs/dbraw/zinc/12/16/22/823121622.db2.gz XXAPZOLOKVHQBK-DOTOQJQBSA-N 1 0 381.501 4.186 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)c2ccccc2Br)CC[N@@H+]1Cc1ccccc1 ZINC000176103168 823121739 /nfs/dbraw/zinc/12/17/39/823121739.db2.gz ITMZLESLTAZUCP-WBVHZDCISA-N 1 0 387.321 4.232 20 0 GIADRO Cc1csc(Sc2ccc(NC(=O)N[C@H]3C[NH2+]CC[C@@H]3C)c(C)c2)n1 ZINC000571027827 823122210 /nfs/dbraw/zinc/12/22/10/823122210.db2.gz JOGWWNBCCAOCRU-ZBEGNZNMSA-N 1 0 376.551 4.031 20 0 GIADRO C[C@H]([NH2+]CC1=CCN(C(=O)OC(C)(C)C)CC1)c1ccc2c(c1)OCCCO2 ZINC000187741327 823123202 /nfs/dbraw/zinc/12/32/02/823123202.db2.gz KVFXEMSVEIIFPS-INIZCTEOSA-N 1 0 388.508 4.066 20 0 GIADRO Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000121129923 823123340 /nfs/dbraw/zinc/12/33/40/823123340.db2.gz XMLVKXGMDHOLSM-QGZVFWFLSA-N 1 0 396.535 4.345 20 0 GIADRO O=C(Nc1nc(C2CC[NH2+]CC2)cs1)c1cc(-c2ccc(Cl)s2)on1 ZINC000571037956 823123770 /nfs/dbraw/zinc/12/37/70/823123770.db2.gz UYSMKPBNEBHRKI-UHFFFAOYSA-N 1 0 394.909 4.232 20 0 GIADRO CC(C)CN(C(=O)NC1CC[NH+](C2CCC2)CC1)[C@@H]1CCCc2cccnc21 ZINC000459070848 823123896 /nfs/dbraw/zinc/12/38/96/823123896.db2.gz BLOQVQULEOHXJB-OAQYLSRUSA-N 1 0 384.568 4.144 20 0 GIADRO CCCN(C(=O)CC[C@H]([NH3+])c1ccccc1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000571039379 823124089 /nfs/dbraw/zinc/12/40/89/823124089.db2.gz ZEIFJTHIDKSARO-RXVVDRJESA-N 1 0 381.520 4.123 20 0 GIADRO [NH3+]C1CCC(OCC(=O)Nc2ccc(F)cc2-c2ccc(Cl)cc2)CC1 ZINC000571047584 823124941 /nfs/dbraw/zinc/12/49/41/823124941.db2.gz DKCMUBRFDQFHKI-UHFFFAOYSA-N 1 0 376.859 4.371 20 0 GIADRO COc1ccc(S[C@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000176115627 823125038 /nfs/dbraw/zinc/12/50/38/823125038.db2.gz PJNRPRMTSCSKAY-GGPKGHCWSA-N 1 0 398.572 4.345 20 0 GIADRO CC(C)CCc1nc(C[NH2+][C@H](C)C2CCN(CC(F)(F)F)CC2)cs1 ZINC000571064511 823126814 /nfs/dbraw/zinc/12/68/14/823126814.db2.gz SYBDCYONEQOCJM-CQSZACIVSA-N 1 0 377.520 4.484 20 0 GIADRO CC(C)CCc1nc(C[NH2+][C@@H](C)C2CCN(CC(F)(F)F)CC2)cs1 ZINC000571064510 823126935 /nfs/dbraw/zinc/12/69/35/823126935.db2.gz SYBDCYONEQOCJM-AWEZNQCLSA-N 1 0 377.520 4.484 20 0 GIADRO CC[N@H+](CC(=O)Nc1cc(OC)c(Cl)cc1OC)[C@H](C)Cc1ccsc1 ZINC000187775422 823130295 /nfs/dbraw/zinc/13/02/95/823130295.db2.gz RVPNKUPUMNAAKA-CYBMUJFWSA-N 1 0 396.940 4.310 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)N1CC=C(c2cccc3ccccc32)C1 ZINC000459095361 823127384 /nfs/dbraw/zinc/12/73/84/823127384.db2.gz HQYFEVGREQKQFY-UHFFFAOYSA-N 1 0 375.516 4.265 20 0 GIADRO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1[NH2+]Cc1nnc(-c2cc(C)oc2C)o1 ZINC000571069580 823127525 /nfs/dbraw/zinc/12/75/25/823127525.db2.gz OEHPACROZNDWHM-YSIASYRMSA-N 1 0 381.476 4.387 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000459116234 823130168 /nfs/dbraw/zinc/13/01/68/823130168.db2.gz UDUKAGNLELYVOZ-LJQANCHMSA-N 1 0 393.984 4.156 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000056326369 823128532 /nfs/dbraw/zinc/12/85/32/823128532.db2.gz MHQOWHGYLAQOQE-HSZRJFAPSA-N 1 0 394.515 4.135 20 0 GIADRO 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 823128638 /nfs/dbraw/zinc/12/86/38/823128638.db2.gz XNSVIFBGUVWJLS-LQJIQPLVSA-N 1 0 377.960 4.348 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)/C=C/c2ccc3ccccc3n2)CC1 ZINC000176125332 823129221 /nfs/dbraw/zinc/12/92/21/823129221.db2.gz TXUYROXQNZPGBW-BUHFOSPRSA-N 1 0 385.511 4.371 20 0 GIADRO COc1ccc(-c2n[nH]cc2C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)cc1 ZINC000571091009 823130853 /nfs/dbraw/zinc/13/08/53/823130853.db2.gz MMSWFGBLGHMNJY-VJBWXMMDSA-N 1 0 389.499 4.090 20 0 GIADRO C[C@H](CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(=O)c1cccc(F)c1 ZINC000176134139 823131916 /nfs/dbraw/zinc/13/19/16/823131916.db2.gz OVVNSMMVTLRJJC-JBYIUTFZSA-N 1 0 396.506 4.204 20 0 GIADRO CCC[C@@H]([NH2+]C1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccsc1 ZINC000187786042 823132591 /nfs/dbraw/zinc/13/25/91/823132591.db2.gz IOGHTHPQHXLJGT-HXUWFJFHSA-N 1 0 392.590 4.173 20 0 GIADRO Cn1c2ccccc2cc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCCCC2)c1=O ZINC000571104916 823132923 /nfs/dbraw/zinc/13/29/23/823132923.db2.gz XXAZLAULDHRUTF-QHCPKHFHSA-N 1 0 390.527 4.312 20 0 GIADRO COc1ccc2c(c1)[C@@H]([NH2+]C1CCN(Cc3ccccn3)CC1)CCCS2 ZINC000187788319 823133227 /nfs/dbraw/zinc/13/32/27/823133227.db2.gz NPVIJRFYWPJLNY-NRFANRHFSA-N 1 0 383.561 4.271 20 0 GIADRO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3ccc(F)cc3OC3CCCC3)CC[C@@H]21 ZINC000121179235 823133228 /nfs/dbraw/zinc/13/32/28/823133228.db2.gz HUPWVWMIJVMIKS-KXBFYZLASA-N 1 0 375.488 4.095 20 0 GIADRO CCN(CCc1nccs1)[C@H](C(=O)Nc1cccc(OC)c1)c1ccccc1 ZINC000121181610 823133416 /nfs/dbraw/zinc/13/34/16/823133416.db2.gz QJGXFRCITGCPTP-NRFANRHFSA-N 1 0 395.528 4.396 20 0 GIADRO 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 823134003 /nfs/dbraw/zinc/13/40/03/823134003.db2.gz NIUWLXYWIUMHQL-LQJIQPLVSA-N 1 0 377.960 4.348 20 0 GIADRO CC(C)([NH2+]CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)c1cccc(F)c1 ZINC000571113624 823134195 /nfs/dbraw/zinc/13/41/95/823134195.db2.gz XQGGYPQRFJENLV-UHFFFAOYSA-N 1 0 392.478 4.352 20 0 GIADRO CCSc1cc(C[NH2+][C@H](C)c2ccc(OC)c(Cn3cccn3)c2)ccn1 ZINC000187795810 823134659 /nfs/dbraw/zinc/13/46/59/823134659.db2.gz ATHZCIXATZKNTG-MRXNPFEDSA-N 1 0 382.533 4.298 20 0 GIADRO COc1ccc([C@@H](NC(=O)N(C)CC[NH+](C(C)C)C(C)C)c2ccco2)cc1 ZINC000459163960 823136618 /nfs/dbraw/zinc/13/66/18/823136618.db2.gz QXALCTYOMFPWRH-OAQYLSRUSA-N 1 0 387.524 4.138 20 0 GIADRO C[N@H+](CCCCNC(=O)N(Cc1ccccc1)Cc1ccccc1F)C1CC1 ZINC000459165339 823137076 /nfs/dbraw/zinc/13/70/76/823137076.db2.gz SHYCKOJPYLKRJF-UHFFFAOYSA-N 1 0 383.511 4.412 20 0 GIADRO C[C@@H](NC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)c1c(F)cccc1Cl ZINC000176153070 823137310 /nfs/dbraw/zinc/13/73/10/823137310.db2.gz WXAUBFRCAWSDCN-CQSZACIVSA-N 1 0 393.890 4.439 20 0 GIADRO Cc1cc(NC(=O)c2ccoc2C(F)(F)F)ccc1OCC[NH+]1CCCC1 ZINC000571130046 823137505 /nfs/dbraw/zinc/13/75/05/823137505.db2.gz IEJLJERIKWZDMH-UHFFFAOYSA-N 1 0 382.382 4.334 20 0 GIADRO CCN(C(=O)N[C@@H](C)c1cncc(F)c1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000459171699 823137802 /nfs/dbraw/zinc/13/78/02/823137802.db2.gz MGQABLCTYADCCY-FIKGOQFSSA-N 1 0 384.499 4.149 20 0 GIADRO CC[N@H+](CCC1CCN(C(=O)N[C@@H](C)c2cncc(F)c2)CC1)CC(C)C ZINC000459171671 823137811 /nfs/dbraw/zinc/13/78/11/823137811.db2.gz MBMABNJVZHNEKB-KRWDZBQOSA-N 1 0 378.536 4.071 20 0 GIADRO C[C@@H]1CN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)CCC1(F)F ZINC000571132629 823138333 /nfs/dbraw/zinc/13/83/33/823138333.db2.gz DGMRYUCNMSNHHQ-SJORKVTESA-N 1 0 379.495 4.248 20 0 GIADRO CC(=O)c1cccc(NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000121214382 823140075 /nfs/dbraw/zinc/14/00/75/823140075.db2.gz NGZNIARIGYYGCX-VGOFRKELSA-N 1 0 379.504 4.406 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1ccc(C(=O)c2cc[nH]c2)cc1 ZINC000176165809 823141030 /nfs/dbraw/zinc/14/10/30/823141030.db2.gz DJQYGVWQEDMYTM-UHFFFAOYSA-N 1 0 387.483 4.136 20 0 GIADRO COc1cc(C[NH2+]C[C@@H](O)c2ccccc2F)c(-c2ccccc2)cc1OC ZINC000121219412 823141211 /nfs/dbraw/zinc/14/12/11/823141211.db2.gz SJNNHXTYYHLOFE-OAQYLSRUSA-N 1 0 381.447 4.333 20 0 GIADRO C[C@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)c1ncc(-c2ccccc2)o1 ZINC000121221217 823141295 /nfs/dbraw/zinc/14/12/95/823141295.db2.gz RNOWYOQQNQNCDW-PKOBYXMFSA-N 1 0 382.508 4.063 20 0 GIADRO Cc1cc(F)ccc1-c1ccc(C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1F ZINC000571163707 823142918 /nfs/dbraw/zinc/14/29/18/823142918.db2.gz GZYSVCQLLSUIQF-ROUUACIJSA-N 1 0 384.470 4.402 20 0 GIADRO O=C(NCc1ccc2c[nH+]cn2c1)N1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000459200861 823142925 /nfs/dbraw/zinc/14/29/25/823142925.db2.gz QTOQYCXLQOMWPO-HXUWFJFHSA-N 1 0 384.430 4.106 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@@H](C)C[C@@H](O)c2cccs2)cc1Cn1cccn1 ZINC000121231901 823143770 /nfs/dbraw/zinc/14/37/70/823143770.db2.gz ZYFQWWAYDNVKSM-TXPKVOOTSA-N 1 0 385.533 4.164 20 0 GIADRO O=C(N[C@H](c1ccco1)c1ccccc1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176173385 823144559 /nfs/dbraw/zinc/14/45/59/823144559.db2.gz VQNWBZPDGDWTMF-QFIPXVFZSA-N 1 0 381.520 4.465 20 0 GIADRO C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000459210826 823144799 /nfs/dbraw/zinc/14/47/99/823144799.db2.gz JOJHXPLUJHRMEH-ZDUSSCGKSA-N 1 0 376.382 4.256 20 0 GIADRO Cc1ccc(-n2cc(C[NH2+]C[C@H](C)C[C@@H](C)O)c(-c3ccc(F)cc3)n2)cc1 ZINC000571184829 823145544 /nfs/dbraw/zinc/14/55/44/823145544.db2.gz LBTDRDCCEGSUGJ-QZTJIDSGSA-N 1 0 381.495 4.483 20 0 GIADRO [NH3+][C@@H]1CCc2ncc(NC(=O)N(CCc3ccccc3F)C3CCCC3)cc2C1 ZINC000571147664 823140685 /nfs/dbraw/zinc/14/06/85/823140685.db2.gz MSVMQXDPAWTHFE-GOSISDBHSA-N 1 0 396.510 4.056 20 0 GIADRO CCOc1cc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)ccc1OCC(F)(F)F ZINC000121243800 823146407 /nfs/dbraw/zinc/14/64/07/823146407.db2.gz DAVIBEUNCQYEET-OAHLLOKOSA-N 1 0 383.414 4.129 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NC[C@H]1COc2ccccc21 ZINC000571197358 823147175 /nfs/dbraw/zinc/14/71/75/823147175.db2.gz WPXMANAIEKDBIM-NQIIRXRSSA-N 1 0 393.531 4.036 20 0 GIADRO O=C1[C@@H]([NH2+]CC2CCC(c3ccccc3)CC2)CCCN1Cc1ccccn1 ZINC000571207634 823148802 /nfs/dbraw/zinc/14/88/02/823148802.db2.gz WOORQTSBTGQFGT-IRSIHTCSSA-N 1 0 377.532 4.136 20 0 GIADRO COc1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@H]2CCc4nc[nH]c4C2)CCC3)cc1 ZINC000571211742 823149428 /nfs/dbraw/zinc/14/94/28/823149428.db2.gz CYPVHGLSGSPISJ-YOEHRIQHSA-N 1 0 380.517 4.066 20 0 GIADRO CN(Cc1ccc(Cl)cc1)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000056441327 823149724 /nfs/dbraw/zinc/14/97/24/823149724.db2.gz UALXFMVVANIMHS-UHFFFAOYSA-N 1 0 389.902 4.285 20 0 GIADRO CN(Cc1ccc(Cl)s1)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000056441798 823149813 /nfs/dbraw/zinc/14/98/13/823149813.db2.gz VLHKHUUUBFLVMG-UHFFFAOYSA-N 1 0 395.931 4.347 20 0 GIADRO CC[C@@H]([NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)c1cccc(F)c1 ZINC000187870395 823149955 /nfs/dbraw/zinc/14/99/55/823149955.db2.gz XRUOOGLGWVRAFB-HYFFOGBASA-N 1 0 384.495 4.316 20 0 GIADRO CCCC(=O)N1CCC[C@H](C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC000056443058 823150066 /nfs/dbraw/zinc/15/00/66/823150066.db2.gz CYVODGIQDFFLIK-FQEVSTJZSA-N 1 0 399.579 4.428 20 0 GIADRO CCCC[C@H]([NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccs2)C1)c1ccccc1 ZINC000571231648 823152455 /nfs/dbraw/zinc/15/24/55/823152455.db2.gz XQHKJCQUVZLGOA-HKUYNNGSSA-N 1 0 392.590 4.280 20 0 GIADRO O=C(C[C@@H]1CCCN1C(=O)c1cccc(C[NH+]2CCCC2)c1)c1cccs1 ZINC000176205465 823152554 /nfs/dbraw/zinc/15/25/54/823152554.db2.gz MOMNFTNARVAYBB-IBGZPJMESA-N 1 0 382.529 4.222 20 0 GIADRO COc1ccccc1-c1ccc(CN(C(=O)c2coc(C[NH3+])c2)C(C)C)cc1 ZINC000187887581 823152623 /nfs/dbraw/zinc/15/26/23/823152623.db2.gz CQOPYKLHZUIAMF-UHFFFAOYSA-N 1 0 378.472 4.465 20 0 GIADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)NC1CCC(C(F)F)CC1 ZINC000459260610 823153061 /nfs/dbraw/zinc/15/30/61/823153061.db2.gz RJQMTLQJRDRXAM-UHFFFAOYSA-N 1 0 387.540 4.425 20 0 GIADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)[C@H](C)OC2CCCCCC2)c1 ZINC000571234467 823153166 /nfs/dbraw/zinc/15/31/66/823153166.db2.gz RTERVJYAMKIVJD-KRWDZBQOSA-N 1 0 389.540 4.033 20 0 GIADRO C[C@@](O)(CC[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1)c1ccccc1 ZINC000187891965 823153298 /nfs/dbraw/zinc/15/32/98/823153298.db2.gz WVOPCEGDHPSHNZ-JOCHJYFZSA-N 1 0 390.930 4.331 20 0 GIADRO C[N@@H+]1CCC[C@@H](CCNC(=O)Nc2ccccc2COCc2ccccc2)C1 ZINC000459265114 823153773 /nfs/dbraw/zinc/15/37/73/823153773.db2.gz NUQOUHRPCNQBLT-IBGZPJMESA-N 1 0 381.520 4.257 20 0 GIADRO CC(C)C[N@@H+](Cc1cnc2c(cnn2C(C)C)c1)C[C@H](O)c1ccc(F)cc1 ZINC000121280470 823153953 /nfs/dbraw/zinc/15/39/53/823153953.db2.gz CKAOWKPGEGLQBO-NRFANRHFSA-N 1 0 384.499 4.343 20 0 GIADRO CC(C)n1c(CNC(=O)c2cccc(C[NH+]3CCCC3)c2)nc2ccccc21 ZINC000571242703 823153996 /nfs/dbraw/zinc/15/39/96/823153996.db2.gz BCLOSTFNPCIUBK-UHFFFAOYSA-N 1 0 376.504 4.143 20 0 GIADRO CCN(C(=O)NC1CCC(C(F)F)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459270609 823154454 /nfs/dbraw/zinc/15/44/54/823154454.db2.gz CNKZDMBJSYYHTF-ACBHZAAOSA-N 1 0 379.495 4.116 20 0 GIADRO c1cc([C@H]2CCC[N@@H+](Cc3cc4ccccc4nc3N3CCCCC3)C2)n[nH]1 ZINC000121282756 823154510 /nfs/dbraw/zinc/15/45/10/823154510.db2.gz JLTLLOKVKYALFC-IBGZPJMESA-N 1 0 375.520 4.328 20 0 GIADRO C[N@@H+]1CCC[C@H](CCNC(=O)N(Cc2cccs2)Cc2cccs2)C1 ZINC000459274040 823155004 /nfs/dbraw/zinc/15/50/04/823155004.db2.gz ZFMYRGBOBJBNSV-MRXNPFEDSA-N 1 0 377.579 4.253 20 0 GIADRO Clc1cccc([C@H](C[NH2+][C@@H]2CCCNc3ccccc32)N2CCOCC2)c1 ZINC000571247270 823155070 /nfs/dbraw/zinc/15/50/70/823155070.db2.gz ZFGXNSXCHPQQIO-YADHBBJMSA-N 1 0 385.939 4.250 20 0 GIADRO Cc1ccccc1-n1ncc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c1C(C)C ZINC000187900558 823155234 /nfs/dbraw/zinc/15/52/34/823155234.db2.gz HAXAPVKWZOOJLJ-HXUWFJFHSA-N 1 0 394.563 4.395 20 0 GIADRO FC(F)(F)c1ccc(Br)c(CNC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000571248746 823155394 /nfs/dbraw/zinc/15/53/94/823155394.db2.gz UBWPJYNVFHVAFD-LLVKDONJSA-N 1 0 377.248 4.042 20 0 GIADRO CCOc1cc(C[N@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)cc(Cl)c1O ZINC000459284836 823156145 /nfs/dbraw/zinc/15/61/45/823156145.db2.gz ULARGFSJCQNVCT-CQSZACIVSA-N 1 0 386.883 4.218 20 0 GIADRO COc1cccc(Oc2ccc(C[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCCC4)cn2)c1 ZINC000121294211 823156875 /nfs/dbraw/zinc/15/68/75/823156875.db2.gz CHCMONWGECMZCJ-FCEUIQTBSA-N 1 0 380.488 4.320 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCCC[C@H]32)c1 ZINC000571258852 823157042 /nfs/dbraw/zinc/15/70/42/823157042.db2.gz YPWUNXHKYKAPPL-YTFSRNRJSA-N 1 0 391.515 4.242 20 0 GIADRO Cc1cc(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)ccc1NC(=O)c1cccs1 ZINC000571264978 823157970 /nfs/dbraw/zinc/15/79/70/823157970.db2.gz CQWHSZXYFMWPJX-SFHVURJKSA-N 1 0 397.544 4.056 20 0 GIADRO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC[C@](C)(O)c1ccccc1 ZINC000187925740 823158890 /nfs/dbraw/zinc/15/88/90/823158890.db2.gz LSXBHRYKVSGYND-QRWLVFNGSA-N 1 0 394.437 4.310 20 0 GIADRO CC(C)CN(CC[NH+](C)C)C(=O)c1ccc(NC(=O)Nc2ccccc2)s1 ZINC000176232867 823159058 /nfs/dbraw/zinc/15/90/58/823159058.db2.gz ISAJGGSESYGOOQ-UHFFFAOYSA-N 1 0 388.537 4.052 20 0 GIADRO CC[N@@H+](Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)CC1CCC(F)(F)CC1 ZINC000459307726 823159722 /nfs/dbraw/zinc/15/97/22/823159722.db2.gz JKUVLZHLZHBQAD-UHFFFAOYSA-N 1 0 395.450 4.000 20 0 GIADRO CC(=O)c1cccc(OC[C@@H](O)C[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)c1 ZINC000121306812 823159836 /nfs/dbraw/zinc/15/98/36/823159836.db2.gz SGAIKMHEBZOPDM-LADGPHEKSA-N 1 0 393.458 4.147 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)N1CC2(CCC2)[C@H]2COC[C@H]21)C1CCCCC1 ZINC000459314187 823160030 /nfs/dbraw/zinc/16/00/30/823160030.db2.gz QGCMTNCEUDEBEE-RBBKRZOGSA-N 1 0 397.563 4.484 20 0 GIADRO O=C(N[C@@H]1CCc2c1cccc2Cl)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000056517227 823160436 /nfs/dbraw/zinc/16/04/36/823160436.db2.gz SPTJHCREWPHKNJ-OAQYLSRUSA-N 1 0 383.923 4.291 20 0 GIADRO c1c(CN2CCC[C@@H]2C[NH+]2CCCC2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459319486 823160726 /nfs/dbraw/zinc/16/07/26/823160726.db2.gz DVEGUOBOOGAZRN-OAQYLSRUSA-N 1 0 379.552 4.120 20 0 GIADRO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)[C@H](C)c1ccc2c(c1)CCC2 ZINC000459321291 823161032 /nfs/dbraw/zinc/16/10/32/823161032.db2.gz ZVBKIZJAEWQYAR-MRXNPFEDSA-N 1 0 379.504 4.155 20 0 GIADRO Cc1cccc([C@H](NC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)C(F)(F)F)c1 ZINC000571300144 823162039 /nfs/dbraw/zinc/16/20/39/823162039.db2.gz DPQJQSDXXMDNHX-KRWDZBQOSA-N 1 0 381.373 4.205 20 0 GIADRO Cc1ccc(C(=O)C2CC[NH+](Cc3ccccc3N3CCO[C@H](C)C3)CC2)cc1 ZINC000459331945 823162651 /nfs/dbraw/zinc/16/26/51/823162651.db2.gz UWJLXHMZWMBWQA-HXUWFJFHSA-N 1 0 392.543 4.315 20 0 GIADRO Fc1cc(CNc2ccc3c(c2)[nH+]c2n3CCCCC2)ccc1-n1cncn1 ZINC000571304900 823162654 /nfs/dbraw/zinc/16/26/54/823162654.db2.gz QGPFWWDKHLGLNH-UHFFFAOYSA-N 1 0 376.439 4.095 20 0 GIADRO COc1ccc([C@@H](NC(=O)C[N@H+](C)[C@H]2CC[C@@H](C(F)(F)F)CC2)C2CC2)cc1 ZINC000571308993 823163341 /nfs/dbraw/zinc/16/33/41/823163341.db2.gz BCXIDOVWUUGYQU-QKLQHJQFSA-N 1 0 398.469 4.315 20 0 GIADRO C[C@H]1CC[C@@](CO)([N@H+](C)CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)C1 ZINC000187954759 823163355 /nfs/dbraw/zinc/16/33/55/823163355.db2.gz UPKKRJAIGHGQFT-MGPLVRAMSA-N 1 0 379.715 4.068 20 0 GIADRO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000571310970 823163522 /nfs/dbraw/zinc/16/35/22/823163522.db2.gz WNDBNYUQDCTVLG-LWILDLIXSA-N 1 0 380.488 4.209 20 0 GIADRO C[N@H+](CC1CC1)C[C@@H]1CCN(Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000459335293 823163619 /nfs/dbraw/zinc/16/36/19/823163619.db2.gz GIYZORASHARSGL-FQEVSTJZSA-N 1 0 393.579 4.224 20 0 GIADRO COc1cccc(OC)c1Oc1ccc(C[NH2+][C@H](C)c2cccc(CO)c2)cn1 ZINC000121326083 823163814 /nfs/dbraw/zinc/16/38/14/823163814.db2.gz YWNQKGJVKXFVET-MRXNPFEDSA-N 1 0 394.471 4.234 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)N2CC[NH+](C3CCC(C(C)C)CC3)CC2)cc1 ZINC000176255226 823164120 /nfs/dbraw/zinc/16/41/20/823164120.db2.gz CTDSCBJIQYPLLA-UHFFFAOYSA-N 1 0 386.540 4.009 20 0 GIADRO CC(=O)NCCC[NH2+][C@@H](C)c1sc(-c2ccccc2Br)nc1C ZINC000121335061 823165289 /nfs/dbraw/zinc/16/52/89/823165289.db2.gz QYIRPKNYGJYAGR-NSHDSACASA-N 1 0 396.354 4.058 20 0 GIADRO COc1ccc(C(C)(C)C[NH2+][C@@H](c2ncc[nH]2)c2ccc(F)cc2)cc1OC ZINC000187978219 823166729 /nfs/dbraw/zinc/16/67/29/823166729.db2.gz UQUWFDWAMRPXJO-HXUWFJFHSA-N 1 0 383.467 4.223 20 0 GIADRO COc1ccc2[nH]c(C(=O)NC[C@@H]3CCCC[N@H+](Cc4ccccc4)C3)cc2c1 ZINC000571339839 823167603 /nfs/dbraw/zinc/16/76/03/823167603.db2.gz DUUUOZQGDVIPMU-IBGZPJMESA-N 1 0 391.515 4.209 20 0 GIADRO CC(C)OCc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccsc2)cc1 ZINC000459360674 823171687 /nfs/dbraw/zinc/17/16/87/823171687.db2.gz OBNVPXDPJZHAKR-UHFFFAOYSA-N 1 0 375.538 4.269 20 0 GIADRO C[C@H]1CN(c2ccccc2CNc2ccc(CC[NH+]3CCCC3)cc2)CCO1 ZINC000459349735 823168040 /nfs/dbraw/zinc/16/80/40/823168040.db2.gz OAKPRKOWCBLCQD-FQEVSTJZSA-N 1 0 379.548 4.162 20 0 GIADRO NC(=O)CCC1CC[NH+](C/C=C\c2ccc(OCc3ccccc3)cc2)CC1 ZINC000459349985 823168189 /nfs/dbraw/zinc/16/81/89/823168189.db2.gz RXRQZXAOKDOJHI-DAXSKMNVSA-N 1 0 378.516 4.256 20 0 GIADRO CCOc1cc(C[N@H+](C)[C@H](C)c2cccc(O)c2)cc(Br)c1O ZINC000459351076 823168516 /nfs/dbraw/zinc/16/85/16/823168516.db2.gz OKVBFDYWUHQZST-GFCCVEGCSA-N 1 0 380.282 4.452 20 0 GIADRO O=C(c1ncoc1C1CC1)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000571349351 823169205 /nfs/dbraw/zinc/16/92/05/823169205.db2.gz LSTCPKKUVQCJDO-UHFFFAOYSA-N 1 0 379.504 4.213 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1sc(C(C)(C)OC)nc1C ZINC000571364993 823171849 /nfs/dbraw/zinc/17/18/49/823171849.db2.gz IYKUOYNPOSVZPJ-UHFFFAOYSA-N 1 0 389.565 4.105 20 0 GIADRO CO[C@H](C)c1nc(C)c(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)s1 ZINC000176274310 823169503 /nfs/dbraw/zinc/16/95/03/823169503.db2.gz IKWNQBJCTYPNOW-AEFFLSMTSA-N 1 0 387.549 4.034 20 0 GIADRO CSc1nnc(CCC[NH2+][C@H]2CCc3c2cc(F)cc3F)n1CC(C)C ZINC000121356811 823169672 /nfs/dbraw/zinc/16/96/72/823169672.db2.gz SLFFARVVBXUIRF-KRWDZBQOSA-N 1 0 380.508 4.144 20 0 GIADRO c1c2c(sc1-c1nnc(CN3CCC[C@@H]([NH+]4CCCC4)CC3)o1)CCCC2 ZINC000121356793 823169792 /nfs/dbraw/zinc/16/97/92/823169792.db2.gz QZWLYFWOTAQKEU-QGZVFWFLSA-N 1 0 386.565 4.127 20 0 GIADRO Cc1cc(C)c(NC(=O)[C@H](C)[NH2+][C@@H]2CCN(C)[C@H]2c2ccccc2)c(Cl)c1 ZINC000571365694 823171888 /nfs/dbraw/zinc/17/18/88/823171888.db2.gz RBKCPZUBUDOIRO-SCWSEQNSSA-N 1 0 385.939 4.319 20 0 GIADRO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000188002889 823170176 /nfs/dbraw/zinc/17/01/76/823170176.db2.gz TYVCIYCDTNLEDM-XHBSWPGZSA-N 1 0 392.849 4.217 20 0 GIADRO Cc1cnc(CC[NH2+][C@@H]2CCCc3c4cc(Br)ccc4[nH]c32)nc1 ZINC000571358510 823170521 /nfs/dbraw/zinc/17/05/21/823170521.db2.gz APJDCIHYXOQQQU-QGZVFWFLSA-N 1 0 385.309 4.239 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)N3CCC[C@@H]3C3CCCC3)c(C)c2)CC1 ZINC000056562926 823170626 /nfs/dbraw/zinc/17/06/26/823170626.db2.gz UIMPNQNSYGILFX-JOCHJYFZSA-N 1 0 384.568 4.323 20 0 GIADRO Oc1cccc(C[NH2+]C[C@@H](c2ccco2)N2CCCCC2)c1Br ZINC000459358302 823170662 /nfs/dbraw/zinc/17/06/62/823170662.db2.gz CPESGNPFHFATKJ-HNNXBMFYSA-N 1 0 379.298 4.065 20 0 GIADRO Cc1nccnc1[C@H](C)[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000188011295 823171506 /nfs/dbraw/zinc/17/15/06/823171506.db2.gz SZPADDHPRQNSLJ-AWEZNQCLSA-N 1 0 379.335 4.407 20 0 GIADRO COc1ccc2ccccc2c1C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000121367111 823171515 /nfs/dbraw/zinc/17/15/15/823171515.db2.gz NHAXQHZFFWZEPB-UHFFFAOYSA-N 1 0 390.483 4.405 20 0 GIADRO COCC[N@H+](C)CCCC1CCN(C(=O)Nc2ccc3occ(C)c3c2)CC1 ZINC000188015744 823172223 /nfs/dbraw/zinc/17/22/23/823172223.db2.gz VHYTVSMQXSOHTH-UHFFFAOYSA-N 1 0 387.524 4.344 20 0 GIADRO O=[S@@](Cc1cccc(NC2CCN(c3cc[nH+]cc3)CC2)c1)c1ccccc1 ZINC000459362536 823172273 /nfs/dbraw/zinc/17/22/73/823172273.db2.gz QAKLTKMDZLATGD-NDEPHWFRSA-N 1 0 391.540 4.470 20 0 GIADRO COCCOc1ccc([C@H](C)[NH2+][C@H]2CCOc3c(F)cccc32)cc1OC ZINC000188047064 823177002 /nfs/dbraw/zinc/17/70/02/823177002.db2.gz ZTHSRYDHIBKAJZ-KSSFIOAISA-N 1 0 375.440 4.034 20 0 GIADRO COc1cc(F)c(F)cc1NC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000571367750 823172555 /nfs/dbraw/zinc/17/25/55/823172555.db2.gz LQUMFTFXCXVDNG-MRXNPFEDSA-N 1 0 383.826 4.051 20 0 GIADRO CN(c1ccccc1CNc1ccc(-n2ccnc2)c(F)c1)C1CC[NH+](C)CC1 ZINC000121374681 823172927 /nfs/dbraw/zinc/17/29/27/823172927.db2.gz DPJNQENUTXCWMB-UHFFFAOYSA-N 1 0 393.510 4.154 20 0 GIADRO CC(C)n1ncc(C(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1C1CC1 ZINC000121377242 823173508 /nfs/dbraw/zinc/17/35/08/823173508.db2.gz QXLMOJKFWFWTBV-FQEVSTJZSA-N 1 0 380.536 4.078 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459368336 823174212 /nfs/dbraw/zinc/17/42/12/823174212.db2.gz ZOEBPXZOERXOLW-CTNGQTDRSA-N 1 0 379.552 4.119 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)[C@H]1SC ZINC000459378264 823177263 /nfs/dbraw/zinc/17/72/63/823177263.db2.gz QIBOVOKZIZWFKE-JWOSDPRPSA-N 1 0 384.545 4.499 20 0 GIADRO Cc1ccc(NC(=O)NC2CC[NH+](CC(C)C)CC2)c(OCC(F)(F)F)c1 ZINC000056597152 823177562 /nfs/dbraw/zinc/17/75/62/823177562.db2.gz XGJITMNGJVIDPI-UHFFFAOYSA-N 1 0 387.446 4.178 20 0 GIADRO CC(C)(C[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1)N1CCCCC1 ZINC000459373215 823175356 /nfs/dbraw/zinc/17/53/56/823175356.db2.gz RPJBGSRVQVWNIV-UHFFFAOYSA-N 1 0 381.568 4.414 20 0 GIADRO COc1ccc(C[C@H]([NH2+]Cc2cnc(C3CC3)nc2)c2ccc(OC)cc2)cc1 ZINC000459376473 823176841 /nfs/dbraw/zinc/17/68/41/823176841.db2.gz WDNPDWBOICKFEF-QHCPKHFHSA-N 1 0 389.499 4.445 20 0 GIADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000056598702 823177752 /nfs/dbraw/zinc/17/77/52/823177752.db2.gz MDJYVTZRJSOCKT-IXDOHACOSA-N 1 0 398.507 4.020 20 0 GIADRO O=C(Nc1ccc(OC(F)F)c(F)c1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176309529 823178742 /nfs/dbraw/zinc/17/87/42/823178742.db2.gz CCXMTTHOZQQMFO-UHFFFAOYSA-N 1 0 385.430 4.346 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)[C@H]1Sc1ccccc1 ZINC000459383006 823178838 /nfs/dbraw/zinc/17/88/38/823178838.db2.gz UEFQOZLYBTYNDM-FBEWHJACSA-N 1 0 394.544 4.256 20 0 GIADRO CC1(c2ccccc2)CC([NH2+]C2CCN(C(=O)CCc3ccccc3)CC2)C1 ZINC000459383261 823178841 /nfs/dbraw/zinc/17/88/41/823178841.db2.gz XECJNVTVERRTJZ-UHFFFAOYSA-N 1 0 376.544 4.320 20 0 GIADRO CCCOc1ccccc1Oc1ncccc1CNC1CC[NH+](C2CC2)CC1 ZINC000459383138 823178900 /nfs/dbraw/zinc/17/89/00/823178900.db2.gz FJWIRXFAHSMRIZ-UHFFFAOYSA-N 1 0 381.520 4.379 20 0 GIADRO CCN(CCC[NH+](CC)CC)C(=O)c1ccccc1NC(=O)c1cccs1 ZINC000188061217 823179831 /nfs/dbraw/zinc/17/98/31/823179831.db2.gz XATUEUMLZITZMZ-UHFFFAOYSA-N 1 0 387.549 4.194 20 0 GIADRO C[C@@H]1CN(C(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)C[C@H](c2ccccc2)O1 ZINC000571420677 823180344 /nfs/dbraw/zinc/18/03/44/823180344.db2.gz ZWTGTCKANUCVAL-MQNAVGNWSA-N 1 0 389.499 4.011 20 0 GIADRO C[C@H](C[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1)N1CCC(C)CC1 ZINC000459389411 823180906 /nfs/dbraw/zinc/18/09/06/823180906.db2.gz NNFLIVIDIBNGKN-LJQANCHMSA-N 1 0 381.568 4.270 20 0 GIADRO COc1ccc(C[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)c(OC)c1 ZINC000459391321 823181125 /nfs/dbraw/zinc/18/11/25/823181125.db2.gz OTSDOKJZJPNXPV-UHFFFAOYSA-N 1 0 392.503 4.367 20 0 GIADRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)NCc1c(Cl)cccc1Cl ZINC000571429328 823181678 /nfs/dbraw/zinc/18/16/78/823181678.db2.gz NUYJTDKQQAKLGW-UHFFFAOYSA-N 1 0 384.307 4.250 20 0 GIADRO C[C@H]([NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1)c1cccc(CO)c1 ZINC000121433897 823183787 /nfs/dbraw/zinc/18/37/87/823183787.db2.gz VAYCVQKRSWRPHR-RDJZCZTQSA-N 1 0 389.337 4.119 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc3c(c2)NC(=O)CO3)[C@H]1Sc1ccccc1 ZINC000459400657 823184147 /nfs/dbraw/zinc/18/41/47/823184147.db2.gz BLQBSKCUFRFHLB-WSGUNEBOSA-N 1 0 398.528 4.006 20 0 GIADRO COc1cc(C[N@H+](C[C@@H](C)c2ccccc2)[C@@H](C)CO)ccc1OC(F)F ZINC000571448413 823184290 /nfs/dbraw/zinc/18/42/90/823184290.db2.gz GCQWQEVTDFEKJS-CVEARBPZSA-N 1 0 379.447 4.283 20 0 GIADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)C12CCC2 ZINC000459419718 823188663 /nfs/dbraw/zinc/18/86/63/823188663.db2.gz WVWHDDHFQLVEIT-NHCUHLMSSA-N 1 0 380.536 4.498 20 0 GIADRO C[C@@H]([NH2+]CCCn1ccnc1)c1ccc(Br)cc1C(F)(F)F ZINC000188092469 823185069 /nfs/dbraw/zinc/18/50/69/823185069.db2.gz ZIOZLYYNTWJEMQ-LLVKDONJSA-N 1 0 376.220 4.405 20 0 GIADRO C[C@H]([NH2+]CCCn1ccnc1)c1ccc(Br)cc1C(F)(F)F ZINC000188092446 823185135 /nfs/dbraw/zinc/18/51/35/823185135.db2.gz ZIOZLYYNTWJEMQ-NSHDSACASA-N 1 0 376.220 4.405 20 0 GIADRO CC(C)Oc1ccc([C@@H](CNCc2ncc(C(F)(F)F)s2)[NH+](C)C)cc1 ZINC000571479936 823189044 /nfs/dbraw/zinc/18/90/44/823189044.db2.gz ZYKNXSMYVINAIY-OAHLLOKOSA-N 1 0 387.471 4.342 20 0 GIADRO CC(C)(C)CC[NH+]1CCN(C(=O)Nc2cccc(OCc3cccnc3)c2)CC1 ZINC000056630107 823185676 /nfs/dbraw/zinc/18/56/76/823185676.db2.gz GUVQKBDUFLCCEE-UHFFFAOYSA-N 1 0 396.535 4.246 20 0 GIADRO C[C@H](C[NH2+]Cc1cnc(C2CC2)nc1)Sc1ccc(Br)cc1 ZINC000459406099 823185837 /nfs/dbraw/zinc/18/58/37/823185837.db2.gz UCYRGYYUOOYDOU-GFCCVEGCSA-N 1 0 378.339 4.387 20 0 GIADRO COc1ccc(OC)c(NC(=O)[C@H](C)[N@@H+]2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)c1 ZINC000121447810 823186316 /nfs/dbraw/zinc/18/63/16/823186316.db2.gz JPCDLECMMZATJL-ZOBUZTSGSA-N 1 0 386.467 4.048 20 0 GIADRO O=C1CCCN1CCC[NH2+][C@H](c1ccccc1)c1ccc(Br)cc1 ZINC000188101626 823186717 /nfs/dbraw/zinc/18/67/17/823186717.db2.gz HBOOKSSFSIETCV-HXUWFJFHSA-N 1 0 387.321 4.141 20 0 GIADRO CC(C)n1cnnc1-c1ccccc1NC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000176339594 823186759 /nfs/dbraw/zinc/18/67/59/823186759.db2.gz HGRUXVYHGBMKSO-QGZVFWFLSA-N 1 0 398.555 4.158 20 0 GIADRO CCOc1cc(C[NH2+][C@H]2CCOc3ccc(F)cc32)cc(Br)c1O ZINC000459411774 823187070 /nfs/dbraw/zinc/18/70/70/823187070.db2.gz UWCNVBPNCBDFRJ-HNNXBMFYSA-N 1 0 396.256 4.306 20 0 GIADRO CSc1ccc([C@@H](CNC(=O)c2ncoc2-c2ccc(C)cc2)[NH+](C)C)cc1 ZINC000571478760 823188964 /nfs/dbraw/zinc/18/89/64/823188964.db2.gz SSAYNMQWGVNZED-LJQANCHMSA-N 1 0 395.528 4.405 20 0 GIADRO O=C(NCC[NH2+][C@H](c1ccccc1)c1ccc(Br)cc1)c1ccco1 ZINC000188108242 823187700 /nfs/dbraw/zinc/18/77/00/823187700.db2.gz JQWZDQZPTHAAFE-LJQANCHMSA-N 1 0 399.288 4.151 20 0 GIADRO CC(C)C[C@@H](CNC(=O)c1ncoc1-c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000571479687 823189032 /nfs/dbraw/zinc/18/90/32/823189032.db2.gz RAZLJXYDVBOJHN-HNNXBMFYSA-N 1 0 383.414 4.067 20 0 GIADRO COCCOCc1ccc(C[NH2+]C2(c3ccc(Cl)cc3)CCOCC2)cc1 ZINC000571479663 823189100 /nfs/dbraw/zinc/18/91/00/823189100.db2.gz SNHVDQUZZZBOHE-UHFFFAOYSA-N 1 0 389.923 4.299 20 0 GIADRO Cc1nc(CC2CC2)sc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000188119460 823189413 /nfs/dbraw/zinc/18/94/13/823189413.db2.gz HLXFKWXFINTOCI-DNVCBOLYSA-N 1 0 383.561 4.187 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CC=C(c2ccc(F)cc2)CC1 ZINC000188121465 823189709 /nfs/dbraw/zinc/18/97/09/823189709.db2.gz PWUKKTWSYAROKH-HXUWFJFHSA-N 1 0 383.467 4.055 20 0 GIADRO C[C@H]1CN(c2ccccc2C[NH2+]CCc2coc(-c3ccc(F)cc3)n2)CCO1 ZINC000459427359 823190224 /nfs/dbraw/zinc/19/02/24/823190224.db2.gz NEWHWTJAZOLEDO-KRWDZBQOSA-N 1 0 395.478 4.038 20 0 GIADRO Cc1ccc(NC(=O)C(C)C)cc1NC(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000056649147 823190378 /nfs/dbraw/zinc/19/03/78/823190378.db2.gz DZUJFAMOYSGTBH-XYJFISCASA-N 1 0 388.556 4.077 20 0 GIADRO CCC(=O)N1CC[C@@H]([NH2+][C@H](c2ccc(Br)cc2Cl)C2CC2)C1 ZINC000188156347 823195498 /nfs/dbraw/zinc/19/54/98/823195498.db2.gz LPDQTBNNWDXJAQ-DYVFJYSZSA-N 1 0 385.733 4.154 20 0 GIADRO Cc1ccc(NC(=O)NCc2cccc(C[NH+](C)C)c2)c(OCC(F)(F)F)c1 ZINC000056656911 823190844 /nfs/dbraw/zinc/19/08/44/823190844.db2.gz HURVXDBELADHBM-UHFFFAOYSA-N 1 0 395.425 4.319 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1C[NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000459454017 823195551 /nfs/dbraw/zinc/19/55/51/823195551.db2.gz BDPBBGUHHUMWSQ-VQIMIIECSA-N 1 0 389.471 4.480 20 0 GIADRO O=S1(=O)CCC(CC[NH2+]C/C=C/c2ccc(OCc3ccccc3)cc2)CC1 ZINC000459432767 823191098 /nfs/dbraw/zinc/19/10/98/823191098.db2.gz GUIAASVZKYLFSU-QPJJXVBHSA-N 1 0 399.556 4.083 20 0 GIADRO O=S1(=O)CCC(CC[NH2+]C/C=C\c2ccc(OCc3ccccc3)cc2)CC1 ZINC000459432750 823191132 /nfs/dbraw/zinc/19/11/32/823191132.db2.gz GUIAASVZKYLFSU-DAXSKMNVSA-N 1 0 399.556 4.083 20 0 GIADRO COc1ccc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)c(OC(F)F)c1 ZINC000188130443 823191175 /nfs/dbraw/zinc/19/11/75/823191175.db2.gz YFHPWRKEKNYVRV-UHFFFAOYSA-N 1 0 376.403 4.145 20 0 GIADRO CCOc1cc(C[NH2+]C[C@@H](OC)c2ccc(F)cc2)cc(Br)c1O ZINC000459433442 823191265 /nfs/dbraw/zinc/19/12/65/823191265.db2.gz UNRRFBDWMZOOCY-QGZVFWFLSA-N 1 0 398.272 4.170 20 0 GIADRO CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cn(C(C)C)nc3C2)[C@H]1Sc1ccccc1 ZINC000459435739 823191873 /nfs/dbraw/zinc/19/18/73/823191873.db2.gz PEDBCXUABHKIFK-ZHNGQKSSSA-N 1 0 385.577 4.249 20 0 GIADRO CCCNC(=O)CC[NH2+][C@H](C)c1ccc(Br)cc1C(F)(F)F ZINC000188136514 823192064 /nfs/dbraw/zinc/19/20/64/823192064.db2.gz QDTRXJGARGWMRX-SNVBAGLBSA-N 1 0 381.236 4.035 20 0 GIADRO Cc1c([C@H](C)[NH2+]C[C@@H](C[C@@H](C)O)c2ccccc2)nnn1-c1cccc(Cl)c1 ZINC000121485714 823192923 /nfs/dbraw/zinc/19/29/23/823192923.db2.gz LKSHFRFXYMGWBE-JTDSTZFVSA-N 1 0 398.938 4.434 20 0 GIADRO COCc1cc(O)ccc1NC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000459455422 823195806 /nfs/dbraw/zinc/19/58/06/823195806.db2.gz CUFYQHWEDJAXPJ-UHFFFAOYSA-N 1 0 399.491 4.047 20 0 GIADRO C[C@H](C[NH2+]C1CCN(Cc2cccnc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000188147658 823193674 /nfs/dbraw/zinc/19/36/74/823193674.db2.gz TVOBMTOSIVCRON-MRXNPFEDSA-N 1 0 377.454 4.458 20 0 GIADRO C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000571505056 823193734 /nfs/dbraw/zinc/19/37/34/823193734.db2.gz KAHWBBYUDOJCQB-DEYYWGMASA-N 1 0 386.927 4.207 20 0 GIADRO CN(CC1(c2ccccc2)CC1)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000188149295 823194040 /nfs/dbraw/zinc/19/40/40/823194040.db2.gz AABXXVGQDKBKHP-IBGZPJMESA-N 1 0 397.588 4.333 20 0 GIADRO CC(=O)Nc1c(C)ccc(NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1C ZINC000056691469 823194163 /nfs/dbraw/zinc/19/41/63/823194163.db2.gz WKEICAJTYFYVQU-NRFANRHFSA-N 1 0 394.519 4.220 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(-c3cccs3)n(-c3ccccc3)n2)C1 ZINC000121496092 823194781 /nfs/dbraw/zinc/19/47/81/823194781.db2.gz GENNZFZAUJSEAF-KRWDZBQOSA-N 1 0 394.544 4.015 20 0 GIADRO COc1ccc(COC[C@@H](O)C[NH2+][C@@H](C)c2ccc3ccccc3c2)cc1OC ZINC000121500535 823195078 /nfs/dbraw/zinc/19/50/78/823195078.db2.gz WJSNSDDYWCOOEJ-JTSKRJEESA-N 1 0 395.499 4.085 20 0 GIADRO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)Nc3ccccc3Cl)CC2)C[C@H](C)O1 ZINC000176393163 823197588 /nfs/dbraw/zinc/19/75/88/823197588.db2.gz QIGYQTXLKCPJNA-IYBDPMFKSA-N 1 0 379.932 4.083 20 0 GIADRO CC(=O)N1CCC([N@H+](Cc2cncs2)Cc2cc(C)cc(Cl)c2)CC1 ZINC000571544556 823198147 /nfs/dbraw/zinc/19/81/47/823198147.db2.gz CUVRVKHFVWHICT-UHFFFAOYSA-N 1 0 377.941 4.118 20 0 GIADRO CCN(Cc1ccccn1)C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000176394992 823198226 /nfs/dbraw/zinc/19/82/26/823198226.db2.gz WEMMTCSPMNTTKN-FQEVSTJZSA-N 1 0 386.927 4.104 20 0 GIADRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccco1)c1cccc(OC(F)(F)F)c1 ZINC000176405880 823201284 /nfs/dbraw/zinc/20/12/84/823201284.db2.gz MVVHQOPHYNDHLR-AWEZNQCLSA-N 1 0 399.413 4.013 20 0 GIADRO CCc1ccc2c(C[N@H+]3CC[C@H](CN(CC)CC(F)(F)F)C3)cc(=O)oc2c1 ZINC000176398118 823199410 /nfs/dbraw/zinc/19/94/10/823199410.db2.gz INZZMIIVFACYDP-MRXNPFEDSA-N 1 0 396.453 4.062 20 0 GIADRO Cc1nn(C)c(C)c1CCC[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459473414 823199485 /nfs/dbraw/zinc/19/94/85/823199485.db2.gz WVRKJLOYSWHXLM-UHFFFAOYSA-N 1 0 392.551 4.133 20 0 GIADRO Cc1ccccc1-c1ccccc1C[NH2+]C1CCN(C(=O)c2ccncc2)CC1 ZINC000459472978 823199506 /nfs/dbraw/zinc/19/95/06/823199506.db2.gz XLEVYXVGSANGDX-UHFFFAOYSA-N 1 0 385.511 4.451 20 0 GIADRO CCc1nc(C)c([C@H](C)N(C)C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)s1 ZINC000176398917 823199749 /nfs/dbraw/zinc/19/97/49/823199749.db2.gz IOZIHONUKWNPPV-FUHWJXTLSA-N 1 0 388.581 4.328 20 0 GIADRO CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCCO[C@@H]2c2ccncc2)[C@H]1Sc1ccccc1 ZINC000459481151 823201380 /nfs/dbraw/zinc/20/13/80/823201380.db2.gz AFWZVARJYHVGTN-ZSYZGHEHSA-N 1 0 384.545 4.230 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1C[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000459478751 823200825 /nfs/dbraw/zinc/20/08/25/823200825.db2.gz NGYBHFTVWVRDIQ-UHFFFAOYSA-N 1 0 395.557 4.432 20 0 GIADRO Cn1ccnc1[C@H]1OCC[C@@H]1[NH2+]C/C=C\c1ccc(OCc2ccccc2)cc1 ZINC000459481854 823201785 /nfs/dbraw/zinc/20/17/85/823201785.db2.gz BMKDJLUUMHFSHR-JPMGOBGISA-N 1 0 389.499 4.132 20 0 GIADRO COc1ccc(CN2CC[C@H]([NH2+][C@@H](C)c3cc4ccccc4s3)C2=O)cc1 ZINC000188203085 823202838 /nfs/dbraw/zinc/20/28/38/823202838.db2.gz ITBYLIWGYFVHLH-KXBFYZLASA-N 1 0 380.513 4.362 20 0 GIADRO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H](CO)Cc1c[nH]c2ccccc12 ZINC000188206390 823203137 /nfs/dbraw/zinc/20/31/37/823203137.db2.gz JHDNCSZDKOHKML-KDOFPFPSSA-N 1 0 387.321 4.055 20 0 GIADRO C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@H](CO)Cc1c[nH]c2ccccc12 ZINC000188206366 823203177 /nfs/dbraw/zinc/20/31/77/823203177.db2.gz JHDNCSZDKOHKML-KSSFIOAISA-N 1 0 387.321 4.055 20 0 GIADRO COc1ccc(-c2ccccc2C)cc1C[NH2+][C@H]1CCO[C@@H]1c1nccn1C ZINC000459489547 823203264 /nfs/dbraw/zinc/20/32/64/823203264.db2.gz QRRAMWDFMIYVEV-UNMCSNQZSA-N 1 0 377.488 4.024 20 0 GIADRO CCOc1ccc(C[NH2+]Cc2cc(Br)c(OC)c(OC)c2)cc1F ZINC000571576847 823203285 /nfs/dbraw/zinc/20/32/85/823203285.db2.gz MYGVRGZNVLSVDR-UHFFFAOYSA-N 1 0 398.272 4.294 20 0 GIADRO O=C(N[C@H](c1cccc(F)c1)c1ccccn1)c1cccc(C[NH+]2CCCC2)c1 ZINC000121546078 823203493 /nfs/dbraw/zinc/20/34/93/823203493.db2.gz QTQYTDWNKODPDJ-HSZRJFAPSA-N 1 0 389.474 4.336 20 0 GIADRO COc1ccc(OC)c([C@H]2C[C@H]2C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000188211390 823204053 /nfs/dbraw/zinc/20/40/53/823204053.db2.gz RKMJNDFOOMGTIT-IFMALSPDSA-N 1 0 394.515 4.432 20 0 GIADRO C[C@@H](Nc1cccc(CC[N@H+](C)C2CC2)c1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000571589471 823204364 /nfs/dbraw/zinc/20/43/64/823204364.db2.gz JANPMKGLCBSILX-ZWKOTPCHSA-N 1 0 377.532 4.102 20 0 GIADRO C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000571604691 823206713 /nfs/dbraw/zinc/20/67/13/823206713.db2.gz YGUSXWVTQJXKIH-HFJQGTKSSA-N 1 0 396.556 4.270 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1C[NH+]1CCC(c2ncc3n2CCCC3)CC1 ZINC000459498023 823204718 /nfs/dbraw/zinc/20/47/18/823204718.db2.gz ANWZCSWLMUQSKX-UHFFFAOYSA-N 1 0 395.576 4.494 20 0 GIADRO c1c(C[N@H+]2CCC[C@@H](OCC3CC3)C2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459497816 823204792 /nfs/dbraw/zinc/20/47/92/823204792.db2.gz JZOLKSMTMHBJQH-OAQYLSRUSA-N 1 0 380.536 4.451 20 0 GIADRO Cc1cnc([C@@H](C)NC(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)s1 ZINC000176421695 823204902 /nfs/dbraw/zinc/20/49/02/823204902.db2.gz PMGJBCOWUAUJRJ-QGZVFWFLSA-N 1 0 386.565 4.244 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)C2(c3cccnc3)CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000571598403 823205531 /nfs/dbraw/zinc/20/55/31/823205531.db2.gz VEKDMZWCJAZWBB-KNQAVFIVSA-N 1 0 377.532 4.063 20 0 GIADRO FC(F)(F)c1cccc(C2([NH2+]Cc3cnc(C4CC4)nc3)CCOCC2)c1 ZINC000459503334 823206070 /nfs/dbraw/zinc/20/60/70/823206070.db2.gz FHOUIJJVXBFEHO-UHFFFAOYSA-N 1 0 377.410 4.168 20 0 GIADRO C[C@H](O)C[C@@H](C[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000121561608 823206218 /nfs/dbraw/zinc/20/62/18/823206218.db2.gz LIIHLULSYFRWET-RXVVDRJESA-N 1 0 386.967 4.449 20 0 GIADRO c1csc(-c2cccc(OC[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)c2)n1 ZINC000571604277 823207023 /nfs/dbraw/zinc/20/70/23/823207023.db2.gz JMDOCHBVXBEZMC-NRFANRHFSA-N 1 0 380.513 4.480 20 0 GIADRO CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000056763989 823209043 /nfs/dbraw/zinc/20/90/43/823209043.db2.gz UREGVMRXURZRSP-OAQYLSRUSA-N 1 0 397.567 4.148 20 0 GIADRO CC[C@H](C(=O)N1CCC([NH2+][C@@H](C)c2cccc(CO)c2)CC1)c1ccccc1 ZINC000121575024 823209088 /nfs/dbraw/zinc/20/90/88/823209088.db2.gz KNVFUTNUTHVJER-MBSDFSHPSA-N 1 0 380.532 4.014 20 0 GIADRO CN(Cc1ccc2c(c1)OCO2)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000056764383 823209063 /nfs/dbraw/zinc/20/90/63/823209063.db2.gz CETMWNMSAWHXFC-UHFFFAOYSA-N 1 0 395.503 4.108 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)N(C)[C@@H](C)Cc3cccc(F)c3)c2)CC1 ZINC000459520692 823210084 /nfs/dbraw/zinc/21/00/84/823210084.db2.gz YZHVHTYCWDQIKI-SFHVURJKSA-N 1 0 398.526 4.063 20 0 GIADRO CC(C)CNC(=O)c1cccc(C[NH2+][C@H](c2ccccc2)C2(CO)CCCC2)c1 ZINC000459520726 823210156 /nfs/dbraw/zinc/21/01/56/823210156.db2.gz DVYLKVGLYSLYNA-HSZRJFAPSA-N 1 0 394.559 4.456 20 0 GIADRO COc1cc(OC)cc(Oc2ccc(C[NH2+]Cc3cnc(C4CC4)nc3)cc2)c1 ZINC000459528898 823212428 /nfs/dbraw/zinc/21/24/28/823212428.db2.gz RFOZRIKUWUJPSC-UHFFFAOYSA-N 1 0 391.471 4.453 20 0 GIADRO COc1ccccc1-c1cccc(NC(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000571623086 823210970 /nfs/dbraw/zinc/21/09/70/823210970.db2.gz HDAODUWHYFGXRA-MOPGFXCFSA-N 1 0 379.504 4.216 20 0 GIADRO COc1ccccc1-c1cccc(NC(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000571623089 823210986 /nfs/dbraw/zinc/21/09/86/823210986.db2.gz HDAODUWHYFGXRA-RTBURBONSA-N 1 0 379.504 4.216 20 0 GIADRO OC[C@@H](C[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1)CC1CCCC1 ZINC000459524174 823211093 /nfs/dbraw/zinc/21/10/93/823211093.db2.gz GPIQOFLQLCTWQM-LJQANCHMSA-N 1 0 382.552 4.339 20 0 GIADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc(OC(F)F)c(F)c2)C1 ZINC000571628968 823211610 /nfs/dbraw/zinc/21/16/10/823211610.db2.gz FJZUXAMXJKDHDT-CYBMUJFWSA-N 1 0 387.446 4.449 20 0 GIADRO C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@H+](C)CCc1ccncc1 ZINC000121587639 823211663 /nfs/dbraw/zinc/21/16/63/823211663.db2.gz JBQYJGBWRHYPNR-CYBMUJFWSA-N 1 0 376.382 4.386 20 0 GIADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N(Cc1ccco1)Cc1cccs1 ZINC000056785893 823213071 /nfs/dbraw/zinc/21/30/71/823213071.db2.gz GIYOGADEZWAFPF-DLBZAZTESA-N 1 0 375.538 4.173 20 0 GIADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000056785896 823213107 /nfs/dbraw/zinc/21/31/07/823213107.db2.gz PGSAFMFTPZKETH-JFIYKMOQSA-N 1 0 386.565 4.263 20 0 GIADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)Nc2ccc(-c3csnn3)cc2)C1 ZINC000056788109 823213569 /nfs/dbraw/zinc/21/35/69/823213569.db2.gz PNKHGUVQOURIFC-HZPDHXFCSA-N 1 0 387.553 4.085 20 0 GIADRO CC1(C)C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)c2cc(N)ccc2O1 ZINC000571679861 823217919 /nfs/dbraw/zinc/21/79/19/823217919.db2.gz XKFFOHHVDMYQCE-LEWJYISDSA-N 1 0 393.531 4.042 20 0 GIADRO C[C@@H](NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)[C@@H](C)c1ccccc1 ZINC000176466471 823213722 /nfs/dbraw/zinc/21/37/22/823213722.db2.gz OWXOQAKMCOGAMZ-WOJBJXKFSA-N 1 0 379.548 4.485 20 0 GIADRO CSCCCC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000121599774 823213764 /nfs/dbraw/zinc/21/37/64/823213764.db2.gz CHZJHUKQGOVSFZ-YJBOKZPZSA-N 1 0 388.499 4.348 20 0 GIADRO O=C(NC1CC[NH+](Cc2cccnc2)CC1)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000188281538 823213849 /nfs/dbraw/zinc/21/38/49/823213849.db2.gz VVCRPEBFGDJJCF-UHFFFAOYSA-N 1 0 397.828 4.148 20 0 GIADRO CCC[C@H]([NH2+][C@H](C)c1cccc(CO)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000121602310 823214279 /nfs/dbraw/zinc/21/42/79/823214279.db2.gz YVUQOQDMJUFWTJ-JPYJTQIMSA-N 1 0 395.547 4.237 20 0 GIADRO CC(C)c1nnc(NC(=O)C[NH2+][C@@H](C)c2ccc(Oc3cccnc3)cc2)s1 ZINC000571679417 823217975 /nfs/dbraw/zinc/21/79/75/823217975.db2.gz PSFPEYHVJSOSAS-AWEZNQCLSA-N 1 0 397.504 4.138 20 0 GIADRO CC(C)CN(CC[NH+](C)C)C(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000121604243 823214614 /nfs/dbraw/zinc/21/46/14/823214614.db2.gz LNADTWBRZYBLKL-FQEVSTJZSA-N 1 0 388.943 4.054 20 0 GIADRO CCOc1cc(C[N@H+](Cc2ccc(-n3cncn3)cc2)C2CC2)cc(Cl)c1O ZINC000459537449 823214729 /nfs/dbraw/zinc/21/47/29/823214729.db2.gz IGADVZIPSVOJSP-UHFFFAOYSA-N 1 0 398.894 4.190 20 0 GIADRO CC(C)[C@H](NC(=O)N1CCC(C[N@H+](C)C(C)C)CC1)c1nc2ccccc2[nH]1 ZINC000056791698 823214904 /nfs/dbraw/zinc/21/49/04/823214904.db2.gz BESDRJIBWNXIGQ-FQEVSTJZSA-N 1 0 385.556 4.022 20 0 GIADRO CCOc1ccc(Br)cc1NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000571652615 823215015 /nfs/dbraw/zinc/21/50/15/823215015.db2.gz AIZIZPKIHFSZTA-UHFFFAOYSA-N 1 0 391.309 4.204 20 0 GIADRO C[NH+](C)CCCOC1CCN(C(=O)CC(C)(C)Cc2ccc(Cl)cc2)CC1 ZINC000188295336 823215622 /nfs/dbraw/zinc/21/56/22/823215622.db2.gz LYTGUIXKUJQRHH-UHFFFAOYSA-N 1 0 394.987 4.258 20 0 GIADRO CSc1ccc(CNC(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC000571663267 823215827 /nfs/dbraw/zinc/21/58/27/823215827.db2.gz LUJAKDQBAHSWKP-HSZRJFAPSA-N 1 0 395.572 4.216 20 0 GIADRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)N[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000571663471 823216143 /nfs/dbraw/zinc/21/61/43/823216143.db2.gz WTJOMVNXZXCZOZ-QAPCUYQASA-N 1 0 393.890 4.092 20 0 GIADRO Fc1ccc(Br)c(C[NH2+]CCc2nc(-c3ccccn3)cs2)c1 ZINC000121613464 823216180 /nfs/dbraw/zinc/21/61/80/823216180.db2.gz VYABGZVUJSBGSA-UHFFFAOYSA-N 1 0 392.297 4.439 20 0 GIADRO CC(C)COC1CCN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000056813360 823218352 /nfs/dbraw/zinc/21/83/52/823218352.db2.gz UZFNXUUMLGZSDE-UHFFFAOYSA-N 1 0 387.568 4.019 20 0 GIADRO Brc1ccc([C@@H]([NH2+][C@H]2CCc3n[nH]cc3C2)c2ccccc2)cc1 ZINC000188308625 823217641 /nfs/dbraw/zinc/21/76/41/823217641.db2.gz QMGMXVZAWKFYJB-ICSRJNTNSA-N 1 0 382.305 4.409 20 0 GIADRO COC1(C[NH2+][C@H](C)c2ccc(Br)cc2C(F)(F)F)CCOCC1 ZINC000188315109 823218431 /nfs/dbraw/zinc/21/84/31/823218431.db2.gz IEGXVHGHSSFUGD-LLVKDONJSA-N 1 0 396.247 4.314 20 0 GIADRO C[C@H](Cc1ccc(Br)cc1)[NH2+]CCc1nnc(-c2ccccc2)o1 ZINC000188316428 823218442 /nfs/dbraw/zinc/21/84/42/823218442.db2.gz FHBIKOLJBDJEKL-CQSZACIVSA-N 1 0 386.293 4.262 20 0 GIADRO C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)C1CC1 ZINC000121638336 823220281 /nfs/dbraw/zinc/22/02/81/823220281.db2.gz SVGPJWJDLUYMNS-CABCVRRESA-N 1 0 395.469 4.425 20 0 GIADRO C[C@]1(c2ccccc2)CC[C@@H](Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)C1 ZINC000188331369 823220513 /nfs/dbraw/zinc/22/05/13/823220513.db2.gz BPERCSILPAUCKZ-NOZRDPDXSA-N 1 0 391.559 4.306 20 0 GIADRO CN(Cc1cccc(O)c1Br)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000459561648 823220655 /nfs/dbraw/zinc/22/06/55/823220655.db2.gz NEEKNZZVLAIGAN-UHFFFAOYSA-N 1 0 395.263 4.003 20 0 GIADRO COC(=O)[C@H]1CC[N@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)[C@H]1C(C)C ZINC000459563838 823221114 /nfs/dbraw/zinc/22/11/14/823221114.db2.gz VTPVTKWHOQQBTM-UGKGYDQZSA-N 1 0 396.535 4.080 20 0 GIADRO COCCOc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc(NC(C)=O)c2)cc1OC ZINC000121652435 823223205 /nfs/dbraw/zinc/22/32/05/823223205.db2.gz IJXMCGWITOVUHU-HZPDHXFCSA-N 1 0 386.492 4.091 20 0 GIADRO CC(=O)Nc1ccc(CN2CCC([NH2+]CCc3cccc(Cl)c3)CC2)cc1 ZINC000459567698 823222061 /nfs/dbraw/zinc/22/20/61/823222061.db2.gz AARIVQCMYKIPPD-UHFFFAOYSA-N 1 0 385.939 4.095 20 0 GIADRO COc1ccccc1[C@H]1CCCN1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176499398 823222262 /nfs/dbraw/zinc/22/22/62/823222262.db2.gz GQNBHNHFDPLTSP-OAQYLSRUSA-N 1 0 385.552 4.339 20 0 GIADRO O[C@@H]1CC[C@H]2C[N@H+](Cc3cn(C4CCCC4)nc3-c3ccccn3)CC[C@@H]2C1 ZINC000459570625 823222760 /nfs/dbraw/zinc/22/27/60/823222760.db2.gz MPZXISQFDWKNLZ-LVCYWYKZSA-N 1 0 380.536 4.043 20 0 GIADRO COc1ncc(C[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)cc1Cl ZINC000459569649 823222765 /nfs/dbraw/zinc/22/27/65/823222765.db2.gz DDPINGLYOFXKTO-UHFFFAOYSA-N 1 0 397.910 4.407 20 0 GIADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CCSc3ccc(F)cc32)o1 ZINC000056815360 823218554 /nfs/dbraw/zinc/21/85/54/823218554.db2.gz UGLOWDPSHIMOFY-SFHVURJKSA-N 1 0 391.512 4.037 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)N[C@@H]2CCSc3ccc(F)cc32)CC1 ZINC000056815367 823218580 /nfs/dbraw/zinc/21/85/80/823218580.db2.gz RXVJJIGODIXSFA-GOSISDBHSA-N 1 0 379.545 4.124 20 0 GIADRO Cc1cc(C)n(-c2ccc(C[N@@H+]3CC[C@@](CO)(Cc4ccc(F)cc4)C3)cc2)n1 ZINC000571682989 823218665 /nfs/dbraw/zinc/21/86/65/823218665.db2.gz RXLRSWBMZLDDBC-XMMPIXPASA-N 1 0 393.506 4.055 20 0 GIADRO C[NH+](C)CCN(C(=O)Nc1cc(F)c(Br)cc1F)C1CCCC1 ZINC000121651712 823222886 /nfs/dbraw/zinc/22/28/86/823222886.db2.gz YICBIEDZBVOJSC-UHFFFAOYSA-N 1 0 390.272 4.065 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)[C@@]2(C)CCCN2C(=O)c2ccccc2)cc1 ZINC000188347867 823223597 /nfs/dbraw/zinc/22/35/97/823223597.db2.gz HMXDWKRCZXCNPA-XMMPIXPASA-N 1 0 393.531 4.162 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cnn(-c3cccc(Cl)c3)c2)C1 ZINC000409460548 823224270 /nfs/dbraw/zinc/22/42/70/823224270.db2.gz UATWGIDGTGOSMK-OXQOHEQNSA-N 1 0 394.906 4.091 20 0 GIADRO COCC[N@H+](Cc1c(C)nn(C)c1C)Cc1ccc([C@H](C)C(F)(F)F)cc1 ZINC000459578507 823224258 /nfs/dbraw/zinc/22/42/58/823224258.db2.gz NQAZGHCQUOMUKW-AWEZNQCLSA-N 1 0 383.458 4.351 20 0 GIADRO CC(=O)Nc1ccc(CN2CCC([NH2+]Cc3ccc(C4CC4)cc3)CC2)cc1 ZINC000459579297 823224324 /nfs/dbraw/zinc/22/43/24/823224324.db2.gz OJYNGNCGIGVTRL-UHFFFAOYSA-N 1 0 377.532 4.277 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)CCCNC(=O)[C@H]3CC=CCC3)cc2)C1 ZINC000409461173 823224678 /nfs/dbraw/zinc/22/46/78/823224678.db2.gz NPODEJPOJWLLGC-FPOVZHCZSA-N 1 0 397.563 4.110 20 0 GIADRO C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)N1CCC(CC[NH+](C)C)CC1 ZINC000121662729 823225130 /nfs/dbraw/zinc/22/51/30/823225130.db2.gz UXESHFFBUUAQMZ-OAHLLOKOSA-N 1 0 376.932 4.039 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)NCCc2cccc(Cl)c2Cl)CC1 ZINC000056888104 823228146 /nfs/dbraw/zinc/22/81/46/823228146.db2.gz ACEVSTDZUZGPQR-UHFFFAOYSA-N 1 0 386.367 4.298 20 0 GIADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@@H](C)c2ccc(OC(F)F)cc2)o1 ZINC000056866350 823225346 /nfs/dbraw/zinc/22/53/46/823225346.db2.gz STALOHDNUVSEES-HNNXBMFYSA-N 1 0 395.450 4.024 20 0 GIADRO C[N@H+](CC(=O)Nc1c(F)cc(F)cc1Br)C1CCCCCC1 ZINC000121663723 823225310 /nfs/dbraw/zinc/22/53/10/823225310.db2.gz WMYAEQJVDZBOSS-UHFFFAOYSA-N 1 0 375.257 4.320 20 0 GIADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(C)(C)Cc2nc3ccccc3[nH]2)C1 ZINC000409463173 823225541 /nfs/dbraw/zinc/22/55/41/823225541.db2.gz JBEMPUVGWDQBTH-QZTJIDSGSA-N 1 0 384.568 4.006 20 0 GIADRO C[C@H]1CCC[N@H+](CCCCNC(=O)[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000409464317 823226135 /nfs/dbraw/zinc/22/61/35/823226135.db2.gz PCRNABISTKRASB-VPWXQRGCSA-N 1 0 396.934 4.185 20 0 GIADRO CC(=O)Nc1ccc(Cl)c(C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)c1 ZINC000121670367 823226709 /nfs/dbraw/zinc/22/67/09/823226709.db2.gz RAHUDWMZQGDJKV-AWEZNQCLSA-N 1 0 387.911 4.158 20 0 GIADRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)c2cccnc2C(F)(F)F)CC1 ZINC000188372215 823228310 /nfs/dbraw/zinc/22/83/10/823228310.db2.gz NUJLCQMSSMTXBR-UHFFFAOYSA-N 1 0 391.437 4.085 20 0 GIADRO C[NH+](C)CCOc1cccc(CNC(=O)c2cc(F)c(Cl)cc2Cl)c1 ZINC000056890768 823228465 /nfs/dbraw/zinc/22/84/65/823228465.db2.gz FIIQPENTPJVUCE-UHFFFAOYSA-N 1 0 385.266 4.003 20 0 GIADRO Brc1ccc(-c2ncc(C[NH+]3CC4(C3)CCCOC4)s2)cc1 ZINC000459602224 823227930 /nfs/dbraw/zinc/22/79/30/823227930.db2.gz DTZPFTIGIASYCA-UHFFFAOYSA-N 1 0 379.323 4.185 20 0 GIADRO COc1ccc(-c2ccc(CNC(=O)N3CCC([NH2+]C(C)C)CC3)s2)cc1 ZINC000176523852 823228871 /nfs/dbraw/zinc/22/88/71/823228871.db2.gz VDKGWWFISSYVJT-UHFFFAOYSA-N 1 0 387.549 4.096 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](Cc1ccccc1)c1cccs1 ZINC000176525928 823229253 /nfs/dbraw/zinc/22/92/53/823229253.db2.gz MDUWZGYAMHSTTP-AABGKKOBSA-N 1 0 383.561 4.300 20 0 GIADRO COc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C2CCC(O)CC2)cc1 ZINC000409477893 823229825 /nfs/dbraw/zinc/22/98/25/823229825.db2.gz ZBHRCPVJMOBWLV-UHFFFAOYSA-N 1 0 391.515 4.000 20 0 GIADRO C[C@H](CCCc1cccnc1)[NH2+]CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000459630522 823233045 /nfs/dbraw/zinc/23/30/45/823233045.db2.gz AOFYQAQLMCDSRN-OAHLLOKOSA-N 1 0 394.346 4.348 20 0 GIADRO CC(C)(C)c1ccc(C(=O)N2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)cc1 ZINC000571761352 823231349 /nfs/dbraw/zinc/23/13/49/823231349.db2.gz HKIASDHMMYJZLP-UHFFFAOYSA-N 1 0 394.563 4.194 20 0 GIADRO C[C@@H](CCCc1cccnc1)[NH2+]CCc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000459632211 823233086 /nfs/dbraw/zinc/23/30/86/823233086.db2.gz FAGUGIJVOCWCCJ-HNNXBMFYSA-N 1 0 395.576 4.091 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(NC(C)=O)c2)cc1Cn1cccn1 ZINC000121694431 823231846 /nfs/dbraw/zinc/23/18/46/823231846.db2.gz NNJYKCKBOYAMHW-IRXDYDNUSA-N 1 0 392.503 4.310 20 0 GIADRO C[C@H](CCCc1cccnc1)[NH2+]Cc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000459630469 823232703 /nfs/dbraw/zinc/23/27/03/823232703.db2.gz AGWNAKIYGWGHEC-GFCCVEGCSA-N 1 0 376.382 4.050 20 0 GIADRO COC[C@H]([NH2+]C[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000571782159 823233535 /nfs/dbraw/zinc/23/35/35/823233535.db2.gz SKPIPOLENNYJKG-JRGCBEDISA-N 1 0 376.903 4.449 20 0 GIADRO CCC(CC)n1ncc(C(=O)N2CCN(c3cc[nH+]c4ccccc43)CC2)c1C ZINC000571806892 823237388 /nfs/dbraw/zinc/23/73/88/823237388.db2.gz HLUWHOUCZHXJRU-UHFFFAOYSA-N 1 0 391.519 4.063 20 0 GIADRO Clc1cccc(-c2nnc(C[N@@H+]3C[C@H](c4ccccc4)[C@H]4COCC[C@H]43)o2)c1 ZINC000571785184 823234004 /nfs/dbraw/zinc/23/40/04/823234004.db2.gz IODBZNZAVSKCRY-VAMGGRTRSA-N 1 0 395.890 4.395 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCCN(C(=O)CCC(F)(F)F)C1)c1ccc(F)c(Cl)c1 ZINC000571788240 823234289 /nfs/dbraw/zinc/23/42/89/823234289.db2.gz CVHNVVGNMXTWPI-DGCLKSJQSA-N 1 0 380.813 4.463 20 0 GIADRO C[C@H](CCCc1cccnc1)[NH2+]Cc1nc2ccc(Br)cc2n1C ZINC000459635486 823234537 /nfs/dbraw/zinc/23/45/37/823234537.db2.gz IZIIIFGIULJMHS-CQSZACIVSA-N 1 0 387.325 4.232 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl)c1nc2c(s1)CCC2 ZINC000459636112 823234930 /nfs/dbraw/zinc/23/49/30/823234930.db2.gz PYKITPFEGNMYJW-JQWIXIFHSA-N 1 0 387.332 4.029 20 0 GIADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000409501232 823235652 /nfs/dbraw/zinc/23/56/52/823235652.db2.gz LXMBBLPPQREYAC-OGWOLHLISA-N 1 0 396.934 4.183 20 0 GIADRO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@@H](C)CCCc1cccnc1 ZINC000459644631 823236664 /nfs/dbraw/zinc/23/66/64/823236664.db2.gz FNJXVSYICPOHRF-ZWKOTPCHSA-N 1 0 387.955 4.473 20 0 GIADRO CC(C)CN(CC[NH+](C)C)C(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000176559192 823237008 /nfs/dbraw/zinc/23/70/08/823237008.db2.gz VXGCQHJZADTHDJ-UHFFFAOYSA-N 1 0 386.565 4.425 20 0 GIADRO COc1cc2c(c(C[N@@H+]3CC[C@H](C(F)(F)F)C4(CCOCC4)C3)c1)O[C@H](C)C2 ZINC000459644689 823236994 /nfs/dbraw/zinc/23/69/94/823236994.db2.gz FPBPNJZPAVUCRY-KDOFPFPSSA-N 1 0 399.453 4.200 20 0 GIADRO COc1cc2c(c(C[N@@H+]3CC[C@@H](C(F)(F)F)C4(CCOCC4)C3)c1)O[C@@H](C)C2 ZINC000459644687 823237058 /nfs/dbraw/zinc/23/70/58/823237058.db2.gz FPBPNJZPAVUCRY-KBXCAEBGSA-N 1 0 399.453 4.200 20 0 GIADRO FC(F)(F)[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccccc2)CC12CCOCC2 ZINC000459645432 823237086 /nfs/dbraw/zinc/23/70/86/823237086.db2.gz GPFHEGINFDPFSB-KRWDZBQOSA-N 1 0 379.426 4.258 20 0 GIADRO COC(=O)c1ccc(-c2nc(C[NH2+][C@@H](C)CCCc3cccnc3)cs2)cc1 ZINC000459644649 823237109 /nfs/dbraw/zinc/23/71/09/823237109.db2.gz XBQQATLWBDYZSY-INIZCTEOSA-N 1 0 395.528 4.493 20 0 GIADRO CCOC(=O)C1(COC)CC[NH+](C/C(C)=C/c2cccc(C(F)(F)F)c2)CC1 ZINC000571810870 823237977 /nfs/dbraw/zinc/23/79/77/823237977.db2.gz PFRTUHIOGXZTOE-FOWTUZBSSA-N 1 0 399.453 4.400 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1c1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000571811475 823238151 /nfs/dbraw/zinc/23/81/51/823238151.db2.gz VZCOWWBHYIEMNO-GDIGMMSISA-N 1 0 391.437 4.067 20 0 GIADRO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@@H](C)c1nc2c(s1)CCC2 ZINC000459647515 823238190 /nfs/dbraw/zinc/23/81/90/823238190.db2.gz KCGLPIFYDQMZBC-KGLIPLIRSA-N 1 0 391.968 4.373 20 0 GIADRO C[C@H](CCCc1cccnc1)[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000459649895 823238832 /nfs/dbraw/zinc/23/88/32/823238832.db2.gz WKRAZHWPJJENJC-OAHLLOKOSA-N 1 0 381.501 4.435 20 0 GIADRO CC[NH+]1CCC(CNC(=O)c2ccccc2SCc2c(C)noc2C)CC1 ZINC000057000891 823238941 /nfs/dbraw/zinc/23/89/41/823238941.db2.gz MOINQNCQSWPVBE-UHFFFAOYSA-N 1 0 387.549 4.045 20 0 GIADRO FC(F)(F)[C@H]1CC[N@H+](Cc2ccc(-n3ccnc3)cc2)CC12CCOCC2 ZINC000459651940 823239499 /nfs/dbraw/zinc/23/94/99/823239499.db2.gz AYDRWBKZEPHANQ-SFHVURJKSA-N 1 0 379.426 4.053 20 0 GIADRO COc1cc2c(N[C@H](Cn3ccccc3=O)c3ccccc3)cc[nH+]c2cc1F ZINC000409519596 823239877 /nfs/dbraw/zinc/23/98/77/823239877.db2.gz HRHFOMCNSGMQBG-OAQYLSRUSA-N 1 0 389.430 4.398 20 0 GIADRO Cc1ccccc1C1(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CCC1 ZINC000409529429 823242657 /nfs/dbraw/zinc/24/26/57/823242657.db2.gz OSFLFQAUUAWDNF-QFIPXVFZSA-N 1 0 376.544 4.098 20 0 GIADRO CC(=O)Nc1cccc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1C ZINC000188437888 823240733 /nfs/dbraw/zinc/24/07/33/823240733.db2.gz KIVZJYFGEFXQIS-DYESRHJHSA-N 1 0 393.531 4.079 20 0 GIADRO CCOc1cc(C[NH2+][C@@H](C)CCCc2cccnc2)cc(Br)c1O ZINC000459655263 823241093 /nfs/dbraw/zinc/24/10/93/823241093.db2.gz USFSIEBELDAGAX-AWEZNQCLSA-N 1 0 393.325 4.449 20 0 GIADRO COc1cc2c(cc1F)[nH+]ccc2N(C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000409524985 823241129 /nfs/dbraw/zinc/24/11/29/823241129.db2.gz FIODVGPIYSJEDH-HNNXBMFYSA-N 1 0 381.451 4.038 20 0 GIADRO CCOc1cc(C[NH2+][C@H](C)CCCc2cccnc2)cc(Br)c1O ZINC000459655265 823241136 /nfs/dbraw/zinc/24/11/36/823241136.db2.gz USFSIEBELDAGAX-CQSZACIVSA-N 1 0 393.325 4.449 20 0 GIADRO Cc1nc2cc(C(=O)N(CC[NH+](C)C)CC(C)C)ccc2n1Cc1ccsc1 ZINC000409529877 823242721 /nfs/dbraw/zinc/24/27/21/823242721.db2.gz NXLVQTKNQPDYBR-UHFFFAOYSA-N 1 0 398.576 4.114 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)CSc2nc3ccccc3o2)CC[N@@H+]1Cc1ccccc1 ZINC000176581392 823241472 /nfs/dbraw/zinc/24/14/72/823241472.db2.gz HHOCPSQYHAGTJO-SJLPKXTDSA-N 1 0 395.528 4.089 20 0 GIADRO Cc1nc(C(F)(F)F)ccc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000176580992 823241489 /nfs/dbraw/zinc/24/14/89/823241489.db2.gz RALBZENRMIUGLI-PBHICJAKSA-N 1 0 391.437 4.192 20 0 GIADRO C[C@H]1C[C@@H](NC(=O)c2cnc(Cl)c(Cl)c2)CC[N@@H+]1Cc1ccccc1 ZINC000176582605 823241812 /nfs/dbraw/zinc/24/18/12/823241812.db2.gz GBZZBEYZKUEQHY-BBRMVZONSA-N 1 0 378.303 4.171 20 0 GIADRO COc1cccc([C@H]2CCCN2C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)c1 ZINC000571835193 823241897 /nfs/dbraw/zinc/24/18/97/823241897.db2.gz LRWYMPFZSUIFBR-XMSQKQJNSA-N 1 0 381.520 4.062 20 0 GIADRO CC(=O)c1oc2cc(C)ccc2c1CC(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000571836189 823242214 /nfs/dbraw/zinc/24/22/14/823242214.db2.gz ZKNXQSCOZUMJEM-QGZVFWFLSA-N 1 0 392.499 4.123 20 0 GIADRO CCOc1ccccc1OCC[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459660872 823243687 /nfs/dbraw/zinc/24/36/87/823243687.db2.gz LTFXSMZXNHQRQR-GOSISDBHSA-N 1 0 387.442 4.145 20 0 GIADRO CC(=O)Nc1ccc(C[NH2+]CCc2c[nH]c3cccc(Br)c23)cc1 ZINC000571845872 823244382 /nfs/dbraw/zinc/24/43/82/823244382.db2.gz ZEUAATIYLYQSHV-UHFFFAOYSA-N 1 0 386.293 4.221 20 0 GIADRO CCN(C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@H](C)c1cccnc1 ZINC000571848959 823245134 /nfs/dbraw/zinc/24/51/34/823245134.db2.gz XRGFZLGXPPCQKW-IRLDBZIGSA-N 1 0 394.563 4.476 20 0 GIADRO Cc1ccc([C@@H]([NH2+]Cc2cnc(N3CCOCC3)c(F)c2)C2CCCC2)cc1 ZINC000188468628 823245508 /nfs/dbraw/zinc/24/55/08/823245508.db2.gz AMGOIRGTLFNVEI-QFIPXVFZSA-N 1 0 383.511 4.387 20 0 GIADRO CCC(=O)c1ccc(OCCCCC(=O)N(C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)cc1 ZINC000409544703 823246666 /nfs/dbraw/zinc/24/66/66/823246666.db2.gz TTZMLKJIGMFBLX-AZUAARDMSA-N 1 0 388.552 4.160 20 0 GIADRO O=C(CC[N@@H+]1CC2(CCC2)[C@H]2COC[C@@H]21)Nc1ccccc1-c1ccccc1 ZINC000459670537 823247116 /nfs/dbraw/zinc/24/71/16/823247116.db2.gz JXWZSOSMZJGHRP-UNMCSNQZSA-N 1 0 376.500 4.183 20 0 GIADRO Clc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)cc1 ZINC000121775400 823247837 /nfs/dbraw/zinc/24/78/37/823247837.db2.gz OCOOBOVIEWHFQK-MRXNPFEDSA-N 1 0 392.894 4.152 20 0 GIADRO COC1CCC([NH2+]Cc2ccc(Br)c(Br)c2)CC1 ZINC000459677504 823248630 /nfs/dbraw/zinc/24/86/30/823248630.db2.gz LYNJLCWUHQUVTR-UHFFFAOYSA-N 1 0 377.120 4.259 20 0 GIADRO C[C@H](Oc1ccc(C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)cc1)c1ccccc1 ZINC000409556414 823248903 /nfs/dbraw/zinc/24/89/03/823248903.db2.gz YCZAXTBQIYZPIE-KRWDZBQOSA-N 1 0 384.439 4.082 20 0 GIADRO c1c2c(sc1-c1nnc(CN3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)o1)CCCC2 ZINC000121782486 823250287 /nfs/dbraw/zinc/25/02/87/823250287.db2.gz KFRMZQNFEKUVIX-AEFFLSMTSA-N 1 0 398.576 4.126 20 0 GIADRO COC(=O)c1csc(-c2cccc(C[NH2+]Cc3cc(OC)ccc3F)c2)n1 ZINC000571891182 823250407 /nfs/dbraw/zinc/25/04/07/823250407.db2.gz NLFXUIPGHUDGHX-UHFFFAOYSA-N 1 0 386.448 4.034 20 0 GIADRO COCC[C@H](c1ccccc1)[NH+]1CCN(c2cc(C(F)(F)F)ccn2)CC1 ZINC000571898326 823251062 /nfs/dbraw/zinc/25/10/62/823251062.db2.gz MAGJPBYLALKVKT-GOSISDBHSA-N 1 0 379.426 4.000 20 0 GIADRO CC[NH+](CC)CCOc1ccc(NC(=O)NCCC2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000571898000 823251085 /nfs/dbraw/zinc/25/10/85/823251085.db2.gz DOHJBFHRQXRRKK-QZTJIDSGSA-N 1 0 391.556 4.122 20 0 GIADRO CC[C@@H](C)[NH2+][C@H](CNC(=O)Nc1ccc(OC)c(SC)c1)c1ccco1 ZINC000459690403 823251272 /nfs/dbraw/zinc/25/12/72/823251272.db2.gz XXSPBOHRSRMOES-UKRRQHHQSA-N 1 0 377.510 4.261 20 0 GIADRO CC(C)OCC[NH+]1CCC(NC(=O)N(Cc2ccoc2)C2CCCCC2)CC1 ZINC000176624659 823251830 /nfs/dbraw/zinc/25/18/30/823251830.db2.gz KMUIWKVQEFQXBD-UHFFFAOYSA-N 1 0 391.556 4.013 20 0 GIADRO Cc1ccnc(Oc2ccc(NC(=O)[C@H]3CC[N@H+](Cc4ccccc4)C3)cc2)n1 ZINC000571938803 823257611 /nfs/dbraw/zinc/25/76/11/823257611.db2.gz BXDLYZAORHTGSY-IBGZPJMESA-N 1 0 388.471 4.038 20 0 GIADRO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)o1 ZINC000571916119 823253574 /nfs/dbraw/zinc/25/35/74/823253574.db2.gz RGDHHPDJSOCSEL-ROUUACIJSA-N 1 0 394.475 4.091 20 0 GIADRO COc1cc(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)cc(OC)c1Cl ZINC000459706442 823254228 /nfs/dbraw/zinc/25/42/28/823254228.db2.gz NJBMNGDWJNRZEG-UHFFFAOYSA-N 1 0 395.931 4.276 20 0 GIADRO CCC(CC)n1nccc1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000121804533 823254654 /nfs/dbraw/zinc/25/46/54/823254654.db2.gz KDMZXJNVOGMPQR-NQIIRXRSSA-N 1 0 382.552 4.369 20 0 GIADRO CC(=O)N1CC[C@@H]([NH2+]CCCCCOc2ccccc2)c2ccc(F)cc2C1 ZINC000188516670 823254810 /nfs/dbraw/zinc/25/48/10/823254810.db2.gz KPAZWQQCRUEFKI-HSZRJFAPSA-N 1 0 384.495 4.458 20 0 GIADRO COc1cc(NC(=O)NC2CC[NH+](CC3CCCC3)CC2)cc(OC)c1Cl ZINC000459709869 823254889 /nfs/dbraw/zinc/25/48/89/823254889.db2.gz PXJRMFFNMDUKKB-UHFFFAOYSA-N 1 0 395.931 4.133 20 0 GIADRO COc1c(C)cnc(CN2CCC([N@H+](C)C[C@H]3C[C@H]3c3ccccc3)CC2)c1C ZINC000571924223 823254965 /nfs/dbraw/zinc/25/49/65/823254965.db2.gz FMSOJGLNSZNPBI-GGAORHGYSA-N 1 0 393.575 4.407 20 0 GIADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@@H](C)[C@H]2CC3CCC2CC3)CC1 ZINC000571927525 823255321 /nfs/dbraw/zinc/25/53/21/823255321.db2.gz YWIUBOUNMQGYND-SEMIMODFSA-N 1 0 384.568 4.121 20 0 GIADRO CCCCOc1ccc(C[NH2+][C@H]2c3sccc3OC(C)(C)[C@@H]2O)cc1OC ZINC000459718073 823255812 /nfs/dbraw/zinc/25/58/12/823255812.db2.gz XEJYNAZWRVAYGR-AZUAARDMSA-N 1 0 391.533 4.298 20 0 GIADRO O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000057153400 823255872 /nfs/dbraw/zinc/25/58/72/823255872.db2.gz GOCDEBCNQKTGQA-JOCHJYFZSA-N 1 0 388.515 4.139 20 0 GIADRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cc(N(C)C)c3ccccc3n2)C1 ZINC000571933709 823256341 /nfs/dbraw/zinc/25/63/41/823256341.db2.gz ZMEUAAXMNSPVLN-RBUKOAKNSA-N 1 0 394.563 4.027 20 0 GIADRO COc1cc(OC)c([C@H](C)[NH2+]CC2CCN(CC(F)(F)F)CC2)cc1Cl ZINC000188525180 823256434 /nfs/dbraw/zinc/25/64/34/823256434.db2.gz LAQZTIMYAIASPN-LBPRGKRZSA-N 1 0 394.865 4.282 20 0 GIADRO c1c(C[N@@H+]2CC3(CCC3)[C@@H]3COC[C@@H]32)c(-c2ccccn2)nn1C1CCCC1 ZINC000459721560 823256634 /nfs/dbraw/zinc/25/66/34/823256634.db2.gz ORDMAZUZQJKRGA-CTNGQTDRSA-N 1 0 378.520 4.061 20 0 GIADRO O=C(Cc1coc2ccc3ccccc3c12)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000057166384 823257527 /nfs/dbraw/zinc/25/75/27/823257527.db2.gz HKQWXQOIJPHQDQ-UHFFFAOYSA-N 1 0 399.494 4.304 20 0 GIADRO CCCOc1ccc(CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000057169491 823258399 /nfs/dbraw/zinc/25/83/99/823258399.db2.gz LDJDWNSTGPQSQE-UHFFFAOYSA-N 1 0 396.531 4.012 20 0 GIADRO C[C@H]([NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1)C1CCOCC1 ZINC000459733542 823258467 /nfs/dbraw/zinc/25/84/67/823258467.db2.gz JYWWUIHFLZQIFI-GKVQRAMASA-N 1 0 382.523 4.198 20 0 GIADRO CCc1nc([C@@H](C)NC(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)cs1 ZINC000176654823 823258519 /nfs/dbraw/zinc/25/85/19/823258519.db2.gz LLFZDGVXWSDZIP-DLBZAZTESA-N 1 0 386.565 4.073 20 0 GIADRO Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]CC1(O)Cc2ccccc2C1 ZINC000571946274 823258732 /nfs/dbraw/zinc/25/87/32/823258732.db2.gz HYKJVULIFIDWCA-MRXNPFEDSA-N 1 0 378.541 4.223 20 0 GIADRO O=C(NCc1cc(Br)cs1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000057174316 823259357 /nfs/dbraw/zinc/25/93/57/823259357.db2.gz VXUJEVGSUSITCV-UHFFFAOYSA-N 1 0 393.350 4.039 20 0 GIADRO CCOCCOCc1cccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000057175660 823259628 /nfs/dbraw/zinc/25/96/28/823259628.db2.gz NEPGIANQWRDGCV-UHFFFAOYSA-N 1 0 396.531 4.090 20 0 GIADRO Cc1ccc(C[C@@H]([NH2+][C@H](C)c2cccc(-n3cnnn3)c2)c2ccccn2)cc1 ZINC000121833531 823259664 /nfs/dbraw/zinc/25/96/64/823259664.db2.gz BWKDVXXSJHOGQQ-WZONZLPQSA-N 1 0 384.487 4.000 20 0 GIADRO C[C@H]([NH2+]Cc1c(F)cccc1-n1cccn1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000571972438 823263225 /nfs/dbraw/zinc/26/32/25/823263225.db2.gz BNDDQYPGFDKZGC-AWEZNQCLSA-N 1 0 378.451 4.092 20 0 GIADRO CC1(c2ccccc2)CC([NH2+][C@@H]2CCO[C@H]2c2cncc(Br)c2)C1 ZINC000459758539 823261235 /nfs/dbraw/zinc/26/12/35/823261235.db2.gz IIRXTTHSUDUENR-KAXARAQCSA-N 1 0 387.321 4.384 20 0 GIADRO C[C@@H]1C[C@H](CCNC(=O)NC[C@H]2CCCC(F)(F)C2)C[N@@H+]1Cc1ccccc1 ZINC000409613059 823261731 /nfs/dbraw/zinc/26/17/31/823261731.db2.gz UTFHEVIULOQVRD-HOJAQTOUSA-N 1 0 393.522 4.412 20 0 GIADRO C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@@H](C)c1ccn(C)n1 ZINC000459764617 823261850 /nfs/dbraw/zinc/26/18/50/823261850.db2.gz VBPKVGAQBDDWAL-QWRGUYRKSA-N 1 0 388.821 4.160 20 0 GIADRO C[C@@H](C[NH2+][C@@H]1CCO[C@H]1c1cncc(Br)c1)c1cc(F)cc(F)c1 ZINC000459764031 823261932 /nfs/dbraw/zinc/26/19/32/823261932.db2.gz NIWWFZAPERLCHL-PDSMFRHLSA-N 1 0 397.263 4.346 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)C(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000459765072 823261943 /nfs/dbraw/zinc/26/19/43/823261943.db2.gz DCAZDTZGBRGPEX-BEKAIBRUSA-N 1 0 381.545 4.479 20 0 GIADRO O[C@@H]1CC[N@H+](Cc2cnc(-c3c(F)cccc3F)s2)C[C@H]1C1CCCC1 ZINC000459766423 823262257 /nfs/dbraw/zinc/26/22/57/823262257.db2.gz OPOFZZQDUNZQDY-MAUKXSAKSA-N 1 0 378.488 4.461 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)C2(c3cccc(F)c3)CCOCC2)cc1 ZINC000057192359 823262489 /nfs/dbraw/zinc/26/24/89/823262489.db2.gz JBJVZXXQVOTQHJ-UHFFFAOYSA-N 1 0 398.522 4.032 20 0 GIADRO Fc1ccc2oc(C[NH2+][C@@H]3CCO[C@H]3c3cncc(Br)c3)cc2c1 ZINC000459777980 823263802 /nfs/dbraw/zinc/26/38/02/823263802.db2.gz YVVYHBYDERXVSV-AEFFLSMTSA-N 1 0 391.240 4.349 20 0 GIADRO CC1(C)C[C@@H]([NH2+][C@@H]2CCCc3c2cnn3-c2ncccn2)c2ccc(F)cc2O1 ZINC000571975168 823264265 /nfs/dbraw/zinc/26/42/65/823264265.db2.gz GMYUUOANNGHAKG-QZTJIDSGSA-N 1 0 393.466 4.071 20 0 GIADRO Cc1cc(CCC(=O)Nc2ccccc2C[NH+](C)C)ccc1Br ZINC000571979303 823264865 /nfs/dbraw/zinc/26/48/65/823264865.db2.gz USZNEMWHRJOXIC-UHFFFAOYSA-N 1 0 375.310 4.390 20 0 GIADRO CS(=O)(=O)c1cccc([C@H]([NH2+]C[C@@H]2CCC=CO2)c2ccc(Cl)cc2)c1 ZINC000188578550 823264878 /nfs/dbraw/zinc/26/48/78/823264878.db2.gz YKSJTJOKCXOOMH-AZUAARDMSA-N 1 0 391.920 4.115 20 0 GIADRO COc1ccccc1CSc1ccccc1NC(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000571982211 823265105 /nfs/dbraw/zinc/26/51/05/823265105.db2.gz XJWVIUBEEAMABK-WMZOPIPTSA-N 1 0 397.544 4.061 20 0 GIADRO O[C@@H](C[C@@H]1CCCCC[N@@H+]1Cc1nc(-c2ccc(F)cc2)no1)c1ccco1 ZINC000121861922 823265101 /nfs/dbraw/zinc/26/51/01/823265101.db2.gz XOHLCWXNJIVHPI-ROUUACIJSA-N 1 0 385.439 4.337 20 0 GIADRO C[C@H](NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1)c1cc2ccccc2o1 ZINC000409626586 823265447 /nfs/dbraw/zinc/26/54/47/823265447.db2.gz UVTPCIXJTQYPIR-IBGZPJMESA-N 1 0 391.515 4.212 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C1(c2cccc(F)c2)CCOCC1 ZINC000057215904 823265697 /nfs/dbraw/zinc/26/56/97/823265697.db2.gz WCONMBFHDFCLTB-UHFFFAOYSA-N 1 0 398.522 4.031 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)[C@H]2C[C@H]2c2ccccc2C(F)(F)F)cc1F ZINC000121875118 823268020 /nfs/dbraw/zinc/26/80/20/823268020.db2.gz XJZXVASCUUCYIE-IRXDYDNUSA-N 1 0 394.412 4.326 20 0 GIADRO COC(=O)c1ccc(C[NH2+]Cc2cccc(OCc3ccccc3F)c2)cc1 ZINC000572021756 823270330 /nfs/dbraw/zinc/27/03/30/823270330.db2.gz DDZWHKTZAGKNIK-UHFFFAOYSA-N 1 0 379.431 4.481 20 0 GIADRO CC(C)OCC[NH+]1CCC(NC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2Cl)CC1 ZINC000176698455 823270516 /nfs/dbraw/zinc/27/05/16/823270516.db2.gz XZSWYTJEXNNUJZ-IRXDYDNUSA-N 1 0 399.362 4.103 20 0 GIADRO Cn1cncc1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 ZINC000572051053 823274543 /nfs/dbraw/zinc/27/45/43/823274543.db2.gz YNRSSYPSKQRWQU-UHFFFAOYSA-N 1 0 383.455 4.309 20 0 GIADRO O=C(Nc1ccc(OC2CCCC2)c(Cl)c1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000409643930 823271734 /nfs/dbraw/zinc/27/17/34/823271734.db2.gz HDFXORYMWODHAZ-JKSUJKDBSA-N 1 0 377.916 4.410 20 0 GIADRO CC1CCC([NH+]2CCN(C(=O)Nc3ccc(OC(F)F)c(F)c3)CC2)CC1 ZINC000572034563 823271906 /nfs/dbraw/zinc/27/19/06/823271906.db2.gz KXQSAZWAVUXLBE-UHFFFAOYSA-N 1 0 385.430 4.155 20 0 GIADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(-c2ccccc2OC(F)(F)F)o1 ZINC000188611049 823272502 /nfs/dbraw/zinc/27/25/02/823272502.db2.gz OBMJSCJHQCDRCD-CYBMUJFWSA-N 1 0 394.393 4.059 20 0 GIADRO C[C@H]([NH2+]C[C@]1(O)CCC[C@H](C(F)(F)F)C1)c1cc(Br)ccc1O ZINC000188611848 823272677 /nfs/dbraw/zinc/27/26/77/823272677.db2.gz LFRMJDBFOKAWAC-PGUXBMHVSA-N 1 0 396.247 4.289 20 0 GIADRO Cc1ccc(-c2noc([C@@H](C)[NH2+]CCCOc3ccc4c(c3)OCO4)n2)cc1F ZINC000572047419 823273874 /nfs/dbraw/zinc/27/38/74/823273874.db2.gz GIJUKTPEVQFMAZ-CQSZACIVSA-N 1 0 399.422 4.033 20 0 GIADRO O=S1(=O)CCC[C@@H](C[NH2+][C@H](Cc2ccc(Cl)cc2)C2CCCCC2)C1 ZINC000572053938 823274949 /nfs/dbraw/zinc/27/49/49/823274949.db2.gz ZCGWRKJIHRVPNS-FXAWDEMLSA-N 1 0 383.985 4.246 20 0 GIADRO CCN(C(=O)c1csc([C@@H]2CCCO2)n1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000121905865 823274080 /nfs/dbraw/zinc/27/40/80/823274080.db2.gz WQQIBAMMLFPCKJ-QRFRQXIXSA-N 1 0 399.560 4.292 20 0 GIADRO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2cccc(OCc3ccccc3)c2)C1 ZINC000005773787 817615837 /nfs/dbraw/zinc/61/58/37/817615837.db2.gz RTFQZYLEROHMAJ-FCHUYYIVSA-N 1 0 386.495 4.047 20 0 GIADRO Cc1ccc([C@H]([NH2+]C/C=C\c2ccc(F)c(F)c2)[C@H](C)S(C)(=O)=O)cc1 ZINC000572079480 823279382 /nfs/dbraw/zinc/27/93/82/823279382.db2.gz CRUKLKWKWFEKBQ-QYDDKUKRSA-N 1 0 379.472 4.050 20 0 GIADRO Cc1c([C@H](C)[NH2+]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)cnn1-c1ccc(F)cc1 ZINC000188623769 823275098 /nfs/dbraw/zinc/27/50/98/823275098.db2.gz LDWFXRYLILKGKM-RFUYNDQBSA-N 1 0 399.432 4.454 20 0 GIADRO CC[NH+](CC)CCOc1ccc(CNC(=O)NC[C@@H]2CCCC(F)(F)C2)cc1 ZINC000409661564 823276730 /nfs/dbraw/zinc/27/67/30/823276730.db2.gz DFZOZSBMUOQOFU-GOSISDBHSA-N 1 0 397.510 4.032 20 0 GIADRO C[C@H]1C[C@@H](NC(=O)c2cc(F)c(Cl)nc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000176720739 823276856 /nfs/dbraw/zinc/27/68/56/823276856.db2.gz PWPUTPPQYNMOIV-JSGCOSHPSA-N 1 0 396.293 4.310 20 0 GIADRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)Nc1cccc(Br)c1 ZINC000409663443 823277263 /nfs/dbraw/zinc/27/72/63/823277263.db2.gz ADVSGGIKAADEFJ-UHFFFAOYSA-N 1 0 394.288 4.184 20 0 GIADRO Cc1cc(Sc2ncccn2)ccc1NC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000121934374 823280216 /nfs/dbraw/zinc/28/02/16/823280216.db2.gz RPYBMFLDZLQVAW-KRWDZBQOSA-N 1 0 399.564 4.036 20 0 GIADRO O=C(N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccoc1C1CC1 ZINC000409698846 823285310 /nfs/dbraw/zinc/28/53/10/823285310.db2.gz QPCRFMIOEDLZMJ-INIZCTEOSA-N 1 0 378.394 4.180 20 0 GIADRO O[C@H](C[NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)C1)COCc1ccccc1Cl ZINC000572112752 823285388 /nfs/dbraw/zinc/28/53/88/823285388.db2.gz YJUGYHBOLGVXRU-VNQPRFMTSA-N 1 0 379.850 4.176 20 0 GIADRO FC(F)COc1cnccc1CN[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000572120321 823285964 /nfs/dbraw/zinc/28/59/64/823285964.db2.gz QRRZEVOGRCPMEH-IBGZPJMESA-N 1 0 387.474 4.012 20 0 GIADRO COc1ccccc1CN(C(=O)NCc1ccccc1C[N@H+](C)C(C)C)C1CC1 ZINC000121947295 823282709 /nfs/dbraw/zinc/28/27/09/823282709.db2.gz RISVBLZZYAKCSO-UHFFFAOYSA-N 1 0 395.547 4.410 20 0 GIADRO OC1(C[NH2+][C@@H](Cc2cccnc2)c2cccc(Cl)c2)Cc2ccccc2C1 ZINC000572095097 823282923 /nfs/dbraw/zinc/28/29/23/823282923.db2.gz ZOGSJSLFMFGNKG-QFIPXVFZSA-N 1 0 378.903 4.138 20 0 GIADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000460106484 823285763 /nfs/dbraw/zinc/28/57/63/823285763.db2.gz HDOZDJDXBHCYGW-BQJWPVKWSA-N 1 0 377.495 4.115 20 0 GIADRO Cc1ccc([C@H](C)NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000460101141 823284518 /nfs/dbraw/zinc/28/45/18/823284518.db2.gz CJWUJUTXEMOBGB-VJBMBRPKSA-N 1 0 377.532 4.220 20 0 GIADRO CCSCCCNC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000409695263 823284737 /nfs/dbraw/zinc/28/47/37/823284737.db2.gz HMNYZAVCULVIJK-UHFFFAOYSA-N 1 0 385.577 4.358 20 0 GIADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cn2nc(C(F)(F)F)sc2=S)C1 ZINC000188677799 823284691 /nfs/dbraw/zinc/28/46/91/823284691.db2.gz VOVYGYPNZDURQL-QWHCGFSZSA-N 1 0 394.532 4.237 20 0 GIADRO CCS(=O)(=O)c1ccc(N2CCC([NH2+][C@H](C)c3ccc(C)s3)CC2)cc1 ZINC000121956764 823284710 /nfs/dbraw/zinc/28/47/10/823284710.db2.gz QCXYUKXSALCTGP-MRXNPFEDSA-N 1 0 392.590 4.170 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(C)(C)Cc2nc3ccccc3[nH]2)C1 ZINC000409704501 823286575 /nfs/dbraw/zinc/28/65/75/823286575.db2.gz YNPQNZIUNVBXCK-RTBURBONSA-N 1 0 396.579 4.245 20 0 GIADRO CCC(CC)[C@H](NC(=O)NCC1(SC)CC[NH+](C)CC1)c1cccs1 ZINC000460114839 823287226 /nfs/dbraw/zinc/28/72/26/823287226.db2.gz XBNLFARLILLIFU-KRWDZBQOSA-N 1 0 383.627 4.352 20 0 GIADRO Cc1ncc(C[NH2+]CCCc2nc(-c3ccncc3)cs2)n1-c1ccccc1 ZINC000176766515 823287512 /nfs/dbraw/zinc/28/75/12/823287512.db2.gz ZYCVGBIYCDTPDL-UHFFFAOYSA-N 1 0 389.528 4.422 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CCc2cn(C)c3cc(C)ccc23)cc1NC(C)=O ZINC000188696669 823287721 /nfs/dbraw/zinc/28/77/21/823287721.db2.gz IYCFTXZULYAKPL-INIZCTEOSA-N 1 0 379.504 4.347 20 0 GIADRO Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000572130427 823287916 /nfs/dbraw/zinc/28/79/16/823287916.db2.gz QHRRAKTYOWEKKV-YPMHNXCESA-N 1 0 397.466 4.322 20 0 GIADRO CCN1CCC([NH+]2CCC(C(=O)N[C@@H]3CCC[C@@H](c4ccccc4)C3)CC2)CC1 ZINC000572132875 823288318 /nfs/dbraw/zinc/28/83/18/823288318.db2.gz QEPRDDVSIVUXPB-DHIUTWEWSA-N 1 0 397.607 4.025 20 0 GIADRO C[C@H](CNC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)c1ccc(F)cc1 ZINC000460122064 823288829 /nfs/dbraw/zinc/28/88/29/823288829.db2.gz WTLZLUIEAOKRIH-BVYCBKJFSA-N 1 0 395.522 4.093 20 0 GIADRO COc1ccccc1[C@H](C[NH2+]Cc1cn(-c2ccccc2)nc1C(C)C)N(C)C ZINC000409716192 823289495 /nfs/dbraw/zinc/28/94/95/823289495.db2.gz ANQYRPFHTLKINJ-QFIPXVFZSA-N 1 0 392.547 4.397 20 0 GIADRO Cc1ccc(NC(=O)N2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c(Cl)c1 ZINC000176773145 823289735 /nfs/dbraw/zinc/28/97/35/823289735.db2.gz LHAORJRGTNLCCX-IRXDYDNUSA-N 1 0 393.959 4.392 20 0 GIADRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1c[nH]c(-c2ccccc2)n1 ZINC000572143021 823289765 /nfs/dbraw/zinc/28/97/65/823289765.db2.gz QYFYFMQVKVOZDX-UHFFFAOYSA-N 1 0 392.528 4.186 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)c2ccc3c(c2)nc(C(F)F)n3C)CC1 ZINC000409720309 823290382 /nfs/dbraw/zinc/29/03/82/823290382.db2.gz NCHAXWZTTPSYIA-UHFFFAOYSA-N 1 0 392.494 4.095 20 0 GIADRO CCOc1c(OC)cc(C[NH2+][C@@H]2CCc3c2ccc(OC)c3F)cc1OC ZINC000572159044 823291884 /nfs/dbraw/zinc/29/18/84/823291884.db2.gz UASDLYAZGLTRJX-MRXNPFEDSA-N 1 0 375.440 4.027 20 0 GIADRO CO[C@@H]1CCN(Cc2ccc(-c3cccc(Br)c3)s2)[C@H](C[NH3+])C1 ZINC000572158481 823291763 /nfs/dbraw/zinc/29/17/63/823291763.db2.gz TZNDGHPZHQZMHJ-JKSUJKDBSA-N 1 0 395.366 4.116 20 0 GIADRO C[C@H]1CCCC[C@H]1NC(=S)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000007402994 817831406 /nfs/dbraw/zinc/83/14/06/817831406.db2.gz HRMIECWPUPSRGR-HNAYVOBHSA-N 1 0 380.001 4.347 20 0 GIADRO COc1cccc([C@@H](CNC(=O)Nc2cccc(C(F)(F)F)c2)[NH+](C)C)c1 ZINC000057407021 823291983 /nfs/dbraw/zinc/29/19/83/823291983.db2.gz SSEDCPQEAPMRIK-QGZVFWFLSA-N 1 0 381.398 4.138 20 0 GIADRO Cc1ccc(C(C)C)c(OCC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000007406373 817832306 /nfs/dbraw/zinc/83/23/06/817832306.db2.gz YKZYYYCRPLFHJI-FQEVSTJZSA-N 1 0 384.520 4.434 20 0 GIADRO Cn1ccnc1CC1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1 ZINC000122009950 823292489 /nfs/dbraw/zinc/29/24/89/823292489.db2.gz PUAWHRFGHXJROT-UHFFFAOYSA-N 1 0 375.472 4.307 20 0 GIADRO COCc1c2ccccc2oc1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000007448448 817844088 /nfs/dbraw/zinc/84/40/88/817844088.db2.gz RDQPQCBMHDOBKY-UHFFFAOYSA-N 1 0 392.499 4.495 20 0 GIADRO COc1cc(C)c(C[N@H+](C)Cc2cc(=O)oc3c(C)c(C)ccc23)cc1OC ZINC000007453349 817845624 /nfs/dbraw/zinc/84/56/24/817845624.db2.gz YHRUJWATNGELHU-UHFFFAOYSA-N 1 0 381.472 4.367 20 0 GIADRO COc1ccc([C@H](C)C[N@@H+]2CCC[C@@H](c3nc(C(F)(F)F)cn3C)C2)cc1 ZINC000572165321 823293080 /nfs/dbraw/zinc/29/30/80/823293080.db2.gz AZAOXNFFAJCSEF-GDBMZVCRSA-N 1 0 381.442 4.431 20 0 GIADRO CCS(=O)(=O)c1ccc(N2CCC([NH2+][C@H](C)CCCC(C)C)CC2)cc1 ZINC000122014928 823293499 /nfs/dbraw/zinc/29/34/99/823293499.db2.gz SEGGICXOXBKLMK-GOSISDBHSA-N 1 0 380.598 4.253 20 0 GIADRO C[C@@H]([NH2+]CCC(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccccc1Cl ZINC000007499922 817855995 /nfs/dbraw/zinc/85/59/95/817855995.db2.gz NDIKCVWAOZZXBY-OAHLLOKOSA-N 1 0 385.895 4.146 20 0 GIADRO COCc1ccccc1C[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000122019892 823294184 /nfs/dbraw/zinc/29/41/84/823294184.db2.gz WAOOFFIBKIQCAU-CQSZACIVSA-N 1 0 391.309 4.102 20 0 GIADRO CO[C@@H](C[NH+]1CCC(NC(=O)c2ccccc2C)CC1)c1ccc(Cl)cc1 ZINC000572172173 823294361 /nfs/dbraw/zinc/29/43/61/823294361.db2.gz JAGGCGBBIMNBBF-NRFANRHFSA-N 1 0 386.923 4.230 20 0 GIADRO C[C@@H](CNC(=O)N(C)[C@H]1CC[C@@H](C(F)(F)F)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000460139906 823294501 /nfs/dbraw/zinc/29/45/01/823294501.db2.gz SAXMWKPNTDILKG-ZYSHUDEJSA-N 1 0 397.485 4.196 20 0 GIADRO COc1ccc(NC(=S)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCCC2)cc1 ZINC000007585200 817874957 /nfs/dbraw/zinc/87/49/57/817874957.db2.gz CYFABTAAHYQONH-OAQYLSRUSA-N 1 0 399.560 4.217 20 0 GIADRO CCS(=O)(=O)c1ccc(N2CCC([NH2+][C@H]3CCCCC3(C)C)CC2)cc1 ZINC000122028404 823296123 /nfs/dbraw/zinc/29/61/23/823296123.db2.gz KXUBBWCEOVGJMQ-FQEVSTJZSA-N 1 0 378.582 4.007 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(Br)o1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000188742611 823296157 /nfs/dbraw/zinc/29/61/57/823296157.db2.gz AEFCXFISONQNSK-LLVKDONJSA-N 1 0 378.270 4.177 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Cc1coc2ccc3ccccc3c12)Cc1ccccc1 ZINC000007683566 817894518 /nfs/dbraw/zinc/89/45/18/817894518.db2.gz LPSWXMYXRAPGQW-NRFANRHFSA-N 1 0 386.495 4.418 20 0 GIADRO O=C(NCc1ccc(Sc2ccccc2)cc1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000122033331 823296710 /nfs/dbraw/zinc/29/67/10/823296710.db2.gz INWMYYPGXQELHO-SFHVURJKSA-N 1 0 381.545 4.121 20 0 GIADRO Cc1ccc([C@H](CNC(=O)N(C)Cc2ccccc2N(C)C)[NH+]2CCCC2)cc1 ZINC000460158563 823301418 /nfs/dbraw/zinc/30/14/18/823301418.db2.gz DXAUQAWCHCLXAG-QHCPKHFHSA-N 1 0 394.563 4.040 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc(OC(F)F)c(OC)c2)cc1 ZINC000007828646 817927396 /nfs/dbraw/zinc/92/73/96/817927396.db2.gz VNLBYCXHACOZHX-UHFFFAOYSA-N 1 0 392.446 4.068 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc(F)cc2Br)cc1 ZINC000007828978 817927957 /nfs/dbraw/zinc/92/79/57/817927957.db2.gz LPAOLQMKMQAPBS-UHFFFAOYSA-N 1 0 393.300 4.360 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(C3SCCS3)c2)C1 ZINC000176820299 823301691 /nfs/dbraw/zinc/30/16/91/823301691.db2.gz VCOBJTLJNSXBTG-OAHLLOKOSA-N 1 0 379.595 4.361 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2cc(F)ccc2F)cc1Br ZINC000007879359 817948217 /nfs/dbraw/zinc/94/82/17/817948217.db2.gz YTACLXRQXHYRST-JTQLQIEISA-N 1 0 399.235 4.025 20 0 GIADRO CC(C)(C)c1ncsc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000176809638 823298467 /nfs/dbraw/zinc/29/84/67/823298467.db2.gz FECNOYFWGHAXKK-AYHJJNSGSA-N 1 0 383.561 4.366 20 0 GIADRO CCN(C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1)[C@@H]1CCOC(C)(C)C1 ZINC000460153105 823299145 /nfs/dbraw/zinc/29/91/45/823299145.db2.gz WNQIUEVGSBDTSE-NHCUHLMSSA-N 1 0 387.568 4.121 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)CSc1nc2ccccc2o1 ZINC000007946316 817966995 /nfs/dbraw/zinc/96/69/95/817966995.db2.gz YBQIRQOFVLMNOF-UHFFFAOYSA-N 1 0 383.517 4.078 20 0 GIADRO COc1ccc2oc(C(=O)NCc3ccccc3C[NH+]3CCCC3)c(C)c2c1 ZINC000008012024 817982743 /nfs/dbraw/zinc/98/27/43/817982743.db2.gz RLZJFVNVRTXMTP-UHFFFAOYSA-N 1 0 378.472 4.276 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(OCC(F)(F)F)cc1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000572229866 823305106 /nfs/dbraw/zinc/30/51/06/823305106.db2.gz ZEJVPLILCDVZNR-GJZGRUSLSA-N 1 0 392.421 4.084 20 0 GIADRO Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000572241103 823306561 /nfs/dbraw/zinc/30/65/61/823306561.db2.gz LVBILWRRDRSRIP-OAHLLOKOSA-N 1 0 384.307 4.402 20 0 GIADRO CCC(CC)N(CC)C(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000460177113 823306694 /nfs/dbraw/zinc/30/66/94/823306694.db2.gz VPHYUFIRGPTIAV-ROUUACIJSA-N 1 0 375.557 4.016 20 0 GIADRO C[NH+](C)CC1(C(=O)NCc2cccnc2Oc2cccc(F)c2)CCCCC1 ZINC000460178899 823307098 /nfs/dbraw/zinc/30/70/98/823307098.db2.gz BUNGJSSMUGVDRL-UHFFFAOYSA-N 1 0 385.483 4.141 20 0 GIADRO CCN(C(=O)NCc1cccc(C[NH+](CC)CC)c1)[C@H]1CCOC(C)(C)C1 ZINC000460179712 823307686 /nfs/dbraw/zinc/30/76/86/823307686.db2.gz ZOBLFFHOKZXMLB-FQEVSTJZSA-N 1 0 375.557 4.018 20 0 GIADRO O=C(c1ccc(C[NH+]2CCC(CO)CC2)cc1)N1CCCC2(CCCCC2)CC1 ZINC000188796861 823307708 /nfs/dbraw/zinc/30/77/08/823307708.db2.gz JRJDCVAKZKODJG-UHFFFAOYSA-N 1 0 398.591 4.468 20 0 GIADRO Cc1ccccc1[C@@H](OC[C@H](O)C[NH2+]C(C)(C)c1nccs1)c1ccccc1 ZINC000122122047 823309376 /nfs/dbraw/zinc/30/93/76/823309376.db2.gz NJCFBRPJWBCVFD-CTNGQTDRSA-N 1 0 396.556 4.443 20 0 GIADRO Cc1cc(Br)cc(C[NH2+]C[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)c1O ZINC000188807552 823309939 /nfs/dbraw/zinc/30/99/39/823309939.db2.gz JREISPOKLWOFHL-IUODEOHRSA-N 1 0 396.247 4.036 20 0 GIADRO CCc1cc2c(C[N@H+](CC)Cc3ccc(OC)c(OC)c3)cc(=O)oc2cc1O ZINC000011365272 818075050 /nfs/dbraw/zinc/07/50/50/818075050.db2.gz NVDLSMQXEDXJNG-UHFFFAOYSA-N 1 0 397.471 4.100 20 0 GIADRO O[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(OCc3ccccc3)c(Br)c2)C1 ZINC000188809040 823310162 /nfs/dbraw/zinc/31/01/62/823310162.db2.gz CNAXCBNDYKSROQ-SJLPKXTDSA-N 1 0 390.321 4.279 20 0 GIADRO O[C@H]1CC[C@H](C[NH2+]Cc2ccc(OCc3ccccc3)c(Br)c2)C1 ZINC000188809016 823310298 /nfs/dbraw/zinc/31/02/98/823310298.db2.gz CNAXCBNDYKSROQ-WMZOPIPTSA-N 1 0 390.321 4.279 20 0 GIADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)N[C@H](c1c[nH]c2ccccc21)C(F)(F)F ZINC000572267948 823310342 /nfs/dbraw/zinc/31/03/42/823310342.db2.gz TUFBSTQQSRVZHR-KBXCAEBGSA-N 1 0 396.457 4.287 20 0 GIADRO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[NH+]1CCC(c2c(C)[nH]c3ccccc32)CC1 ZINC000122128855 823310509 /nfs/dbraw/zinc/31/05/09/823310509.db2.gz HYSKSMOWPMHJJK-QGZVFWFLSA-N 1 0 393.535 4.033 20 0 GIADRO C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@@H]2C(=O)NC2CC[NH+](CCc3ccccc3)CC2)o1 ZINC000409801687 823310886 /nfs/dbraw/zinc/31/08/86/823310886.db2.gz QFXYJEADVOGCGL-MNAPGUCWSA-N 1 0 392.543 4.330 20 0 GIADRO CC(C)(C)OC1CC(CC[NH2+]C[C@@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC000572275926 823311753 /nfs/dbraw/zinc/31/17/53/823311753.db2.gz LNJOHTWOHDHRHM-LGFMMJKESA-N 1 0 375.553 4.015 20 0 GIADRO CC(C)[NH+](CCNC(=O)c1cc(-c2ccccn2)nc2ccccc21)C(C)C ZINC000011595322 818097923 /nfs/dbraw/zinc/09/79/23/818097923.db2.gz HWBVYRULUZSJMU-UHFFFAOYSA-N 1 0 376.504 4.145 20 0 GIADRO CC[C@@H](NCc1ccncc1OCCC[NH+](C)C)c1cccc(Cl)c1F ZINC000572278982 823312218 /nfs/dbraw/zinc/31/22/18/823312218.db2.gz MKRDFQRTINZIOX-GOSISDBHSA-N 1 0 379.907 4.446 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2sc(C)nc2-c2ccc(C)cc2)[C@H](C)C1 ZINC000122144206 823312478 /nfs/dbraw/zinc/31/24/78/823312478.db2.gz GZQHNYKHDLGGOL-VQIMIIECSA-N 1 0 385.577 4.158 20 0 GIADRO Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC000188819475 823312882 /nfs/dbraw/zinc/31/28/82/823312882.db2.gz GVYQNNVCCAWGOW-SWLSCSKDSA-N 1 0 387.833 4.104 20 0 GIADRO Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(C(F)(F)F)cc2)c(C[NH+](C)C)c1 ZINC000188821169 823313236 /nfs/dbraw/zinc/31/32/36/823313236.db2.gz NTKJNRQQHOSQCD-CQSZACIVSA-N 1 0 380.410 4.481 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1cccc(NC(C)=O)c1)c1ccccc1Cl ZINC000057616219 823315148 /nfs/dbraw/zinc/31/51/48/823315148.db2.gz LOIZYIUIWBYNET-FQEVSTJZSA-N 1 0 387.911 4.111 20 0 GIADRO COc1ccc(C[N@H+](CC(=O)N[C@H](C)c2ccccc2OC)[C@@H](C)C2CC2)cc1 ZINC000057602220 823313586 /nfs/dbraw/zinc/31/35/86/823313586.db2.gz ZFYORGAPFSWBGB-MSOLQXFVSA-N 1 0 396.531 4.182 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)CC1 ZINC000011946475 818131288 /nfs/dbraw/zinc/13/12/88/818131288.db2.gz WBUFEIDPWXGRNN-UHFFFAOYSA-N 1 0 377.410 4.100 20 0 GIADRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(Cc3ccccc3)Cc3ccccc3)CC[C@@H]21 ZINC000409813076 823314336 /nfs/dbraw/zinc/31/43/36/823314336.db2.gz RYURTBGFNVLZCE-UPVQGACJSA-N 1 0 376.544 4.031 20 0 GIADRO CCOc1ccc(-c2nc(CC(=O)Nc3cccc4c3CC[NH2+]C4)cs2)cc1 ZINC000572290593 823314558 /nfs/dbraw/zinc/31/45/58/823314558.db2.gz ZJMRUTHPWDFMNB-UHFFFAOYSA-N 1 0 393.512 4.036 20 0 GIADRO O=C(c1ccccc1CSc1nc2ccccc2o1)N1CC[NH+]2CCC1CC2 ZINC000188835003 823315357 /nfs/dbraw/zinc/31/53/57/823315357.db2.gz DSMRJKSNEJQXPM-UHFFFAOYSA-N 1 0 393.512 4.040 20 0 GIADRO C[NH+](C)CCN(C(=O)Cc1csc(-c2cccc(F)c2)n1)C1CCCCC1 ZINC000012325545 818154519 /nfs/dbraw/zinc/15/45/19/818154519.db2.gz UVLQZYYHGXSGIO-UHFFFAOYSA-N 1 0 389.540 4.215 20 0 GIADRO CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000460204376 823316249 /nfs/dbraw/zinc/31/62/49/823316249.db2.gz MJDGCYRZLAWREB-MRXNPFEDSA-N 1 0 391.922 4.212 20 0 GIADRO O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+](Cc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000012328180 818155074 /nfs/dbraw/zinc/15/50/74/818155074.db2.gz XFVBLLHOFWJCRY-QGZVFWFLSA-N 1 0 379.435 4.331 20 0 GIADRO CS(=O)(=O)c1cccc([C@@H]([NH2+]CCCOc2ccccc2)c2ccccc2)c1 ZINC000176883572 823317006 /nfs/dbraw/zinc/31/70/06/823317006.db2.gz OSTMOIACLOPJGP-QHCPKHFHSA-N 1 0 395.524 4.238 20 0 GIADRO Cc1ncc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c(C2CC2)n1 ZINC000572305503 823317146 /nfs/dbraw/zinc/31/71/46/823317146.db2.gz OMPDEWMGPRQMRO-FQEVSTJZSA-N 1 0 393.535 4.085 20 0 GIADRO Cc1ccccc1C1(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CCCCC1 ZINC000122187996 823318826 /nfs/dbraw/zinc/31/88/26/823318826.db2.gz WIWGYUAQENVGDT-GOTSBHOMSA-N 1 0 398.591 4.081 20 0 GIADRO C[C@@H](C(=O)N1CCC[C@@H](Cc2nccn2C)C1)c1ccc(C(F)(F)F)cc1 ZINC000409830479 823319189 /nfs/dbraw/zinc/31/91/89/823319189.db2.gz SHORSXDUKAFAGK-CABCVRRESA-N 1 0 379.426 4.024 20 0 GIADRO C[NH+](C)CCOc1cccc(NC(=O)CCc2cc(Br)cs2)c1 ZINC000409831100 823319527 /nfs/dbraw/zinc/31/95/27/823319527.db2.gz LWOBHLVWOCFUOC-UHFFFAOYSA-N 1 0 397.338 4.022 20 0 GIADRO c1coc(-c2nc(CN3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@@H]4C3)cs2)c1 ZINC000572326507 823321113 /nfs/dbraw/zinc/32/11/13/823321113.db2.gz WUOANNGAQALCRV-RBUKOAKNSA-N 1 0 379.529 4.357 20 0 GIADRO C[N@H+](Cc1c(-c2ccccc2)nc2sccn12)Cc1ccc2c(c1)OCCO2 ZINC000014215910 818228767 /nfs/dbraw/zinc/22/87/67/818228767.db2.gz KEGOABRBBUDNDL-UHFFFAOYSA-N 1 0 391.496 4.466 20 0 GIADRO CCC1(CNC(=O)c2coc3c2C(=O)CCC3)CC[NH+](Cc2ccccc2)CC1 ZINC000572352716 823326220 /nfs/dbraw/zinc/32/62/20/823326220.db2.gz YQMIVCPVHDBGJJ-UHFFFAOYSA-N 1 0 394.515 4.221 20 0 GIADRO CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)CCCC1CCOCC1 ZINC000409841593 823322393 /nfs/dbraw/zinc/32/23/93/823322393.db2.gz WWUKARNPTDSJGV-JOCHJYFZSA-N 1 0 386.580 4.173 20 0 GIADRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1ccc(Cl)cc1F ZINC000014509756 818248587 /nfs/dbraw/zinc/24/85/87/818248587.db2.gz LVYNXQJSZFVMQN-UHFFFAOYSA-N 1 0 388.874 4.423 20 0 GIADRO Cc1cccc2nc(C3CC[NH+](Cc4cn(C)nc4-c4ccncc4)CC3)oc21 ZINC000188885299 823322997 /nfs/dbraw/zinc/32/29/97/823322997.db2.gz UAKRQOUSLXLLBL-UHFFFAOYSA-N 1 0 387.487 4.311 20 0 GIADRO C[C@H]1C[C@@H](N(C)Cc2noc(-c3ccsc3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000176917242 823323654 /nfs/dbraw/zinc/32/36/54/823323654.db2.gz KCWTWFSIFWIXOL-LPHOPBHVSA-N 1 0 382.533 4.283 20 0 GIADRO C[C@H](CNC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1)[N@H+](C)C1CC1 ZINC000057715265 823324717 /nfs/dbraw/zinc/32/47/17/823324717.db2.gz HIKHJGRPVIBOBJ-MRXNPFEDSA-N 1 0 375.472 4.221 20 0 GIADRO COc1ccc2cc(/C=C/C(=O)NC[C@H](c3cccs3)[NH+](C)C)ccc2c1 ZINC000014936596 818278467 /nfs/dbraw/zinc/27/84/67/818278467.db2.gz UQAUWUNSYWAPMG-WUTDNEBXSA-N 1 0 380.513 4.342 20 0 GIADRO CCC(CC)(CNC(=O)NCc1ccc2cc[nH]c2n1)[NH2+][C@@H](C)c1ccccc1 ZINC000460237200 823326753 /nfs/dbraw/zinc/32/67/53/823326753.db2.gz VAFJWJFGWLFFCP-KRWDZBQOSA-N 1 0 393.535 4.272 20 0 GIADRO O=C(Nc1ccccc1O)C1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000015043828 818285863 /nfs/dbraw/zinc/28/58/63/818285863.db2.gz JUJHITCNEPQBCH-UHFFFAOYSA-N 1 0 378.394 4.262 20 0 GIADRO C[C@H]([NH2+]C(C)(C)CNC(=O)c1cc(O)ccc1C(F)(F)F)c1ccccc1 ZINC000188909068 823326734 /nfs/dbraw/zinc/32/67/34/823326734.db2.gz NHTNXGXABUWQKB-ZDUSSCGKSA-N 1 0 380.410 4.270 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cnc(-c3ccccc3)s2)C1 ZINC000409850030 823325605 /nfs/dbraw/zinc/32/56/05/823325605.db2.gz RPXDCHHJRMQPPX-APWZRJJASA-N 1 0 377.513 4.375 20 0 GIADRO C[C@H](O)[C@](C)(C[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)Cc1ccccc1 ZINC000188903671 823325763 /nfs/dbraw/zinc/32/57/63/823325763.db2.gz PIWTZLPDAYOUOR-AFIMQMJHSA-N 1 0 375.553 4.106 20 0 GIADRO Cc1c(NC(=O)c2ccccc2OCC[NH+](C)C)cccc1OCC(F)(F)F ZINC000057732405 823325715 /nfs/dbraw/zinc/32/57/15/823325715.db2.gz WJBAVSOMYFUBAE-UHFFFAOYSA-N 1 0 396.409 4.129 20 0 GIADRO O=C(CCC(=O)c1ccc(Cl)cc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000015139964 818294449 /nfs/dbraw/zinc/29/44/49/818294449.db2.gz PAYVXLOMTHEHPW-UHFFFAOYSA-N 1 0 384.907 4.215 20 0 GIADRO COc1ccc(C(=O)C(C(=S)Nc2cccc(OC)c2)[n+]2ccccc2)cc1 ZINC000015246318 818302339 /nfs/dbraw/zinc/30/23/39/818302339.db2.gz RHRJBOVGTYYNQC-UHFFFAOYSA-O 1 0 393.488 4.042 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)C(=O)N(Cc2ccccc2)C2CCCCC2)c1 ZINC000188915798 823328223 /nfs/dbraw/zinc/32/82/23/823328223.db2.gz ZNHKPYDXXMGGEC-UHFFFAOYSA-N 1 0 393.531 4.048 20 0 GIADRO COc1ccc(C[NH2+]C2(c3ccc(Br)cc3)CCOCC2)c(F)c1 ZINC000572369315 823328466 /nfs/dbraw/zinc/32/84/66/823328466.db2.gz ACZNIHIVKSARKO-UHFFFAOYSA-N 1 0 394.284 4.392 20 0 GIADRO COCCOc1ccc(C(F)(F)F)cc1NC(=O)C[NH2+][C@H](C)c1ccccc1 ZINC000122281007 823332014 /nfs/dbraw/zinc/33/20/14/823332014.db2.gz LHHHIFUNIWRVLX-CQSZACIVSA-N 1 0 396.409 4.020 20 0 GIADRO O=C(c1cnoc1-c1ccc(F)cc1Cl)N1CCC[N@H+](CC2CCC2)CC1 ZINC000572377760 823329497 /nfs/dbraw/zinc/32/94/97/823329497.db2.gz NLBHBXAWDMDQAG-UHFFFAOYSA-N 1 0 391.874 4.082 20 0 GIADRO Cc1occc1C(=O)Nc1cc(NC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)ccc1F ZINC000122262923 823329561 /nfs/dbraw/zinc/32/95/61/823329561.db2.gz HMFVNWBEJXJJCH-IHRRRGAJSA-N 1 0 387.455 4.179 20 0 GIADRO O=C(Cc1coc2cc3c(cc12)CCC3)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000015564524 818338922 /nfs/dbraw/zinc/33/89/22/818338922.db2.gz JKDXNUHZSBPWSE-UHFFFAOYSA-N 1 0 388.511 4.245 20 0 GIADRO CC[C@@H](C)Sc1ccc(NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c(C)c1 ZINC000176940928 823329949 /nfs/dbraw/zinc/32/99/49/823329949.db2.gz WTLNZIUICLVTFU-QZTJIDSGSA-N 1 0 391.581 4.072 20 0 GIADRO C[C@@H](CCCC(F)(F)F)NC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000572382451 823329920 /nfs/dbraw/zinc/32/99/20/823329920.db2.gz XNHRNHZMIVVMMT-WFASDCNBSA-N 1 0 379.854 4.363 20 0 GIADRO O=C(CC[N@H+](Cc1ccco1)Cc1cccs1)N1CCc2ccccc2C1 ZINC000188936610 823330631 /nfs/dbraw/zinc/33/06/31/823330631.db2.gz ATXWMRVHSIVGHN-UHFFFAOYSA-N 1 0 380.513 4.318 20 0 GIADRO Fc1cccnc1N1CC[C@H]([NH2+][C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)C1 ZINC000572385168 823330758 /nfs/dbraw/zinc/33/07/58/823330758.db2.gz ULFQOABWIVWANP-MAUKXSAKSA-N 1 0 395.400 4.439 20 0 GIADRO C[NH+](C)CCCC1CCN(C(=O)C(C)(C)c2ccccc2Br)CC1 ZINC000409868545 823330896 /nfs/dbraw/zinc/33/08/96/823330896.db2.gz NAHYPMIVMDOCFM-UHFFFAOYSA-N 1 0 395.385 4.307 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCOc2ccccc2-c2ccccc2)[C@H](C)C1 ZINC000122273395 823331046 /nfs/dbraw/zinc/33/10/46/823331046.db2.gz RRUCXMLNALHPIC-DENIHFKCSA-N 1 0 380.532 4.311 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(Cl)cc2OC(F)F)C[C@@H]1C ZINC000460255402 823332306 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0 GIADRO COc1ccccc1[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC000572409345 823333956 /nfs/dbraw/zinc/33/39/56/823333956.db2.gz JVISGYUOXMKRFG-UYAOXDASSA-N 1 0 383.532 4.222 20 0 GIADRO COc1ccccc1[C@H](CNC(=S)Nc1cc(C)cc(C)c1)[NH+]1CCCC1 ZINC000016241312 818408962 /nfs/dbraw/zinc/40/89/62/818408962.db2.gz NLBPURQIVMBQFF-FQEVSTJZSA-N 1 0 383.561 4.436 20 0 GIADRO CN(C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1)[C@@H]1CCSC1 ZINC000122304624 823335251 /nfs/dbraw/zinc/33/52/51/823335251.db2.gz AJKXLQXLMHXJNV-HXUWFJFHSA-N 1 0 383.561 4.062 20 0 GIADRO COc1ccc([C@@H](CNC(=S)Nc2c(C)cccc2C)[NH+]2CCCC2)cc1 ZINC000016315651 818421898 /nfs/dbraw/zinc/42/18/98/818421898.db2.gz PYNDZUJUHQOCTM-HXUWFJFHSA-N 1 0 383.561 4.436 20 0 GIADRO O=C(NCc1ccccc1)C1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000016396679 818434561 /nfs/dbraw/zinc/43/45/61/818434561.db2.gz GQFPWNWGEQXGIY-UHFFFAOYSA-N 1 0 376.422 4.234 20 0 GIADRO Cc1ccc(C)c(NC(=O)COC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000016402023 818436225 /nfs/dbraw/zinc/43/62/25/818436225.db2.gz WLHRGSUSEQHPTQ-UHFFFAOYSA-N 1 0 380.488 4.085 20 0 GIADRO COCCCN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)C1CC[NH+](C)CC1 ZINC000572419212 823336473 /nfs/dbraw/zinc/33/64/73/823336473.db2.gz FFEOLYAVSYNVFF-ZWKOTPCHSA-N 1 0 399.362 4.056 20 0 GIADRO C[C@H]1C[C@H](NC(=O)Nc2ccccc2N2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000176968560 823337829 /nfs/dbraw/zinc/33/78/29/823337829.db2.gz SBNQCCNDCNIGRH-PZJWPPBQSA-N 1 0 392.547 4.461 20 0 GIADRO C[C@@H](NC(=S)Nc1ccc(CC[NH+]2CCSCC2)cc1)c1ccccc1 ZINC000057817369 823337137 /nfs/dbraw/zinc/33/71/37/823337137.db2.gz XGRXYJJAQQQREI-QGZVFWFLSA-N 1 0 385.602 4.326 20 0 GIADRO Cc1cc(NC(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)ccc1NC(=O)c1ccco1 ZINC000057821806 823337881 /nfs/dbraw/zinc/33/78/81/823337881.db2.gz QSGKLOSVZLFCIV-RDJZCZTQSA-N 1 0 398.507 4.082 20 0 GIADRO Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@H](CN(C)C)c1ccc(F)cc1 ZINC000572433278 823338199 /nfs/dbraw/zinc/33/81/99/823338199.db2.gz TYRIKSKPTCKVIF-FOIQADDNSA-N 1 0 391.918 4.397 20 0 GIADRO Cc1cc(SCC(=O)NC[C@H](c2ccccc2)[NH+](C)C)nc2ccccc12 ZINC000016600013 818459011 /nfs/dbraw/zinc/45/90/11/818459011.db2.gz QQNLFQDCHRAJNP-HXUWFJFHSA-N 1 0 379.529 4.054 20 0 GIADRO Cc1nc([C@@H]2CCCN2C(=O)Nc2ccc(C)cc2OCC[NH+](C)C)cs1 ZINC000188986572 823338660 /nfs/dbraw/zinc/33/86/60/823338660.db2.gz VQDIKCZYRWFAHX-SFHVURJKSA-N 1 0 388.537 4.069 20 0 GIADRO CC[NH+]1C[C@H](C)N(C(=O)c2ccc(Oc3ccc(C(C)=O)cc3)cc2)[C@@H](C)C1 ZINC000572441012 823339733 /nfs/dbraw/zinc/33/97/33/823339733.db2.gz VQWPHSFPOZBZJD-IRXDYDNUSA-N 1 0 380.488 4.236 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc(-c2ccccc2Br)s1)C(=O)N(C)C ZINC000189006547 823341200 /nfs/dbraw/zinc/34/12/00/823341200.db2.gz UBJSBTMWKVJZKW-RYUDHWBXSA-N 1 0 381.339 4.305 20 0 GIADRO Cc1cc(C)n(CCC[NH2+]Cc2c(C)nn(Cc3ccc(F)cc3)c2Cl)n1 ZINC000017312127 818507861 /nfs/dbraw/zinc/50/78/61/818507861.db2.gz YBSZGAXSCMOLRH-UHFFFAOYSA-N 1 0 389.906 4.026 20 0 GIADRO O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)c1cccc(Cl)c1Cl ZINC000189012638 823342514 /nfs/dbraw/zinc/34/25/14/823342514.db2.gz UIUJUTXNMBRTPR-ZBEGNZNMSA-N 1 0 385.241 4.147 20 0 GIADRO COc1ccc(C[C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3nc(C)c(C)s3)C2)cc1 ZINC000572451337 823342517 /nfs/dbraw/zinc/34/25/17/823342517.db2.gz OFMXQOVUBPTNEC-QAPCUYQASA-N 1 0 387.549 4.050 20 0 GIADRO C[C@H]([NH2+]Cc1cnn(Cc2ccc(F)cc2)c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000189017994 823342685 /nfs/dbraw/zinc/34/26/85/823342685.db2.gz SSPDGTGIFBGJCL-INIZCTEOSA-N 1 0 392.478 4.270 20 0 GIADRO COc1ccc([C@@H](CNC(=O)C23CC4CC(CC(C4)C2)C3)[NH+]2CCCC2)cc1 ZINC000017911494 818532990 /nfs/dbraw/zinc/53/29/90/818532990.db2.gz YAKYHPKYYZRVDC-SOSWSAFESA-N 1 0 382.548 4.165 20 0 GIADRO COCCC1(C[NH2+][C@@H](C)CC(=O)Nc2cc(Cl)ccc2OC)CCCC1 ZINC000122401376 823349219 /nfs/dbraw/zinc/34/92/19/823349219.db2.gz YOTVLUPAPOGXPI-HNNXBMFYSA-N 1 0 382.932 4.252 20 0 GIADRO CC(C)[NH+](CCN(C)C(=O)[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)C(C)C ZINC000409920543 823344216 /nfs/dbraw/zinc/34/42/16/823344216.db2.gz FFRUZCBEQMQBKM-APWZRJJASA-N 1 0 384.923 4.134 20 0 GIADRO CCOc1ccc(C[NH2+]CCC(=O)Nc2cccc(C(F)(F)F)c2)cc1OC ZINC000572463291 823344815 /nfs/dbraw/zinc/34/48/15/823344815.db2.gz HQSSKMPBURQYOE-UHFFFAOYSA-N 1 0 396.409 4.231 20 0 GIADRO Clc1ccccc1-c1nnc(CN2CCC(C[NH+]3CCCCCC3)CC2)o1 ZINC000057888783 823345373 /nfs/dbraw/zinc/34/53/73/823345373.db2.gz KJMPPTCHAGZFIJ-UHFFFAOYSA-N 1 0 388.943 4.478 20 0 GIADRO COc1cccc(N2CC[C@H](C[NH2+][C@H](C)Cc3ccc(OC)c(OC)c3C)C2)c1 ZINC000572468837 823345409 /nfs/dbraw/zinc/34/54/09/823345409.db2.gz MEUQIHLSHBTUPN-IEBWSBKVSA-N 1 0 398.547 4.068 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)CCc2cccc(C(F)(F)F)c2)[C@H]1n1cccn1 ZINC000572468266 823345447 /nfs/dbraw/zinc/34/54/47/823345447.db2.gz ICMMNLSAJIXCDA-ZWQIFLOQSA-N 1 0 381.442 4.231 20 0 GIADRO COc1cc(CCC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)ccc1Cl ZINC000122374637 823345825 /nfs/dbraw/zinc/34/58/25/823345825.db2.gz DOYYRHYDXUUZOL-LJQANCHMSA-N 1 0 392.971 4.396 20 0 GIADRO Nc1ccc(F)c(NC(=O)CC[N@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)c1 ZINC000176998998 823346259 /nfs/dbraw/zinc/34/62/59/823346259.db2.gz NLBAERYHUHQATR-OAQYLSRUSA-N 1 0 389.474 4.384 20 0 GIADRO Cc1nc(C(C)C)sc1[C@H](C)[NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000189040342 823346715 /nfs/dbraw/zinc/34/67/15/823346715.db2.gz MIFNHWCVORSFRK-GUYCJALGSA-N 1 0 375.513 4.166 20 0 GIADRO CO[C@H](CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000460312667 823349586 /nfs/dbraw/zinc/34/95/86/823349586.db2.gz NZNVMBVWZYVWAP-PZJWPPBQSA-N 1 0 386.923 4.056 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)Nc2ccccc2-n2cccn2)CC[N@@H+]1Cc1ccccc1 ZINC000177016257 823349717 /nfs/dbraw/zinc/34/97/17/823349717.db2.gz YNICJGSFOOYCRR-QUCCMNQESA-N 1 0 389.503 4.047 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1cc(Cl)ccc1OC)c1ccc(OC)cc1 ZINC000019625670 818596367 /nfs/dbraw/zinc/59/63/67/818596367.db2.gz QZKNSIQZVHFHCY-GUYCJALGSA-N 1 0 376.884 4.425 20 0 GIADRO CC(C)c1cccc(C(C)C)c1NC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000057935502 823348986 /nfs/dbraw/zinc/34/89/86/823348986.db2.gz PKFDAHIPBXMNQK-UHFFFAOYSA-N 1 0 387.568 4.297 20 0 GIADRO CC(C)c1ccccc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1N1CCCC1 ZINC000057949182 823349811 /nfs/dbraw/zinc/34/98/11/823349811.db2.gz CRQIRQUVJVMMMR-NRFANRHFSA-N 1 0 382.548 4.282 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1cc(O)ccc1C(F)(F)F)Cc1ccccc1 ZINC000189053028 823349150 /nfs/dbraw/zinc/34/91/50/823349150.db2.gz SJWZRCHMDMMONU-INIZCTEOSA-N 1 0 394.437 4.094 20 0 GIADRO Cc1ccc(C[N@H+](CCC(=O)Nc2cc(N)ccc2F)Cc2ccco2)s1 ZINC000177024067 823352050 /nfs/dbraw/zinc/35/20/50/823352050.db2.gz BQRWQJAWJBXKML-UHFFFAOYSA-N 1 0 387.480 4.402 20 0 GIADRO OC[C@@]1(Cc2ccc(F)cc2)CC[N@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000572520885 823352984 /nfs/dbraw/zinc/35/29/84/823352984.db2.gz RMTCGYYIFDKJRK-LJQANCHMSA-N 1 0 383.385 4.151 20 0 GIADRO Cc1cc([C@H]([NH2+]C2CCN(CC(F)(F)F)CC2)c2cccnc2)ccc1F ZINC000572521602 823353358 /nfs/dbraw/zinc/35/33/58/823353358.db2.gz LTCUSWZQHLFQPI-IBGZPJMESA-N 1 0 381.417 4.235 20 0 GIADRO COCCCOc1cccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)c1 ZINC000572522021 823353616 /nfs/dbraw/zinc/35/36/16/823353616.db2.gz ZMPBNXXQSKTZND-HSZRJFAPSA-N 1 0 394.559 4.389 20 0 GIADRO O=C(N[C@H](Cc1cccc(F)c1)c1cccc(F)c1)NC1CC[NH+](C2CC2)CC1 ZINC000057990216 823353661 /nfs/dbraw/zinc/35/36/61/823353661.db2.gz LYGORSZBCLXYAO-JOCHJYFZSA-N 1 0 399.485 4.175 20 0 GIADRO C[C@H]1CN(C)c2ccccc2N(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000460323612 823353720 /nfs/dbraw/zinc/35/37/20/823353720.db2.gz HVIKSTKJQSMAAA-PZJWPPBQSA-N 1 0 377.532 4.018 20 0 GIADRO Fc1ccc(Cn2cc(C[NH2+]C[C@H]3CCCO[C@H]3c3ccccc3)cn2)cc1 ZINC000189080745 823354058 /nfs/dbraw/zinc/35/40/58/823354058.db2.gz HBHCMUZPNWOVNL-GGAORHGYSA-N 1 0 379.479 4.328 20 0 GIADRO CCCc1noc2nc(CC)cc(C(=O)N[C@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)c12 ZINC000409959898 823354172 /nfs/dbraw/zinc/35/41/72/823354172.db2.gz MPIUTDXLLKRDIH-HZPDHXFCSA-N 1 0 398.551 4.121 20 0 GIADRO CCCCOc1ccc(C[NH2+]Cc2cnc(N3CCOCC3)s2)cc1Cl ZINC000189085520 823354973 /nfs/dbraw/zinc/35/49/73/823354973.db2.gz YTYAFBGBPDYACH-UHFFFAOYSA-N 1 0 395.956 4.102 20 0 GIADRO CC(=O)Nc1ccc(C)c(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000177019576 823350603 /nfs/dbraw/zinc/35/06/03/823350603.db2.gz NFTQRPSXYPWJAJ-DYESRHJHSA-N 1 0 394.519 4.128 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)cc1 ZINC000021401624 818684291 /nfs/dbraw/zinc/68/42/91/818684291.db2.gz KTWBKALXGNOJPE-UHFFFAOYSA-N 1 0 397.906 4.306 20 0 GIADRO C[NH+](C)CCOc1ccc(-c2noc(-c3ccc4c(c3)CCCCC4=O)n2)cc1 ZINC000572532603 823355614 /nfs/dbraw/zinc/35/56/14/823355614.db2.gz VRBLNLSSLWFECZ-UHFFFAOYSA-N 1 0 391.471 4.253 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cc(-c3ccccc3)nn2C(C)C)C1 ZINC000177034166 823355669 /nfs/dbraw/zinc/35/56/69/823355669.db2.gz CYZDHYSEJXSGIN-GOSISDBHSA-N 1 0 383.540 4.327 20 0 GIADRO CS[C@H]1CN(Cc2cc(-c3ccc(Cl)cc3)no2)C[C@@H]1[NH+]1CCCC1 ZINC000460350933 823361129 /nfs/dbraw/zinc/36/11/29/823361129.db2.gz YCRFNJQMVSFYIX-OALUTQOASA-N 1 0 377.941 4.007 20 0 GIADRO Clc1cccc(CN2CC[NH+](CCCc3nc(-c4ccccc4)no3)CC2)c1 ZINC000058048286 823357572 /nfs/dbraw/zinc/35/75/72/823357572.db2.gz REIRSRCXEZQCLU-UHFFFAOYSA-N 1 0 396.922 4.140 20 0 GIADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2ccc3c(ccn3Cc3ccccc3)c2)C1 ZINC000572544061 823357864 /nfs/dbraw/zinc/35/78/64/823357864.db2.gz NPUVMQWHIGBGSX-HXUWFJFHSA-N 1 0 375.516 4.150 20 0 GIADRO C[C@H]([NH2+]C(c1ccccc1)c1ccccc1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000021819826 818739515 /nfs/dbraw/zinc/73/95/15/818739515.db2.gz JCTRYFKGURJTDE-KRWDZBQOSA-N 1 0 388.467 4.164 20 0 GIADRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)c1nc(C(F)(F)F)ns1 ZINC000572550476 823359483 /nfs/dbraw/zinc/35/94/83/823359483.db2.gz LKVXMTXETQINEY-UHFFFAOYSA-N 1 0 398.376 4.144 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)CCCOc1ccccc1C(N)=O)c1nc(C(C)(C)C)cs1 ZINC000122471200 823359512 /nfs/dbraw/zinc/35/95/12/823359512.db2.gz IISQZEBVBCCUJQ-LSDHHAIUSA-N 1 0 389.565 4.438 20 0 GIADRO C[C@@H]([NH2+][C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1)[C@H](C)CO ZINC000460345143 823359671 /nfs/dbraw/zinc/35/96/71/823359671.db2.gz FETDDBMLCQWQFL-SNUQEOBHSA-N 1 0 381.303 4.280 20 0 GIADRO Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000122477114 823359936 /nfs/dbraw/zinc/35/99/36/823359936.db2.gz ZYDLNDUPABUEQM-AWEZNQCLSA-N 1 0 382.291 4.027 20 0 GIADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N(C)[C@@H](C)c1cc(F)ccc1F ZINC000572557429 823360458 /nfs/dbraw/zinc/36/04/58/823360458.db2.gz XALGBWFBGCECLQ-CVEARBPZSA-N 1 0 375.463 4.188 20 0 GIADRO COc1ccc(CNc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)cc1OC ZINC000122492479 823362722 /nfs/dbraw/zinc/36/27/22/823362722.db2.gz MRMUBPTWXXIUAX-UHFFFAOYSA-N 1 0 397.519 4.130 20 0 GIADRO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1ccc(SC(=O)N(C)C)cc1 ZINC000177065891 823363173 /nfs/dbraw/zinc/36/31/73/823363173.db2.gz UQWZYTFEJUHKRJ-QWXGXRTQSA-N 1 0 390.574 4.391 20 0 GIADRO O=C(CCN1CC[NH+](Cc2ccccc2)CC1)Nc1c(Cl)cccc1Cl ZINC000022197581 818782202 /nfs/dbraw/zinc/78/22/02/818782202.db2.gz KCBDVZQEZSQQSZ-UHFFFAOYSA-N 1 0 392.330 4.140 20 0 GIADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)Nc1ccc(N(C)C)c(C)c1 ZINC000058125435 823363702 /nfs/dbraw/zinc/36/37/02/823363702.db2.gz UIZYBOMPTWSQMQ-UHFFFAOYSA-N 1 0 388.581 4.498 20 0 GIADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)C1 ZINC000177068835 823363892 /nfs/dbraw/zinc/36/38/92/823363892.db2.gz YUMIIRUYNKCFET-KDOFPFPSSA-N 1 0 387.351 4.045 20 0 GIADRO C[N@H+](CCNC(=O)CCCc1nc2ccccc2s1)Cc1ccc(F)cc1 ZINC000177071254 823364527 /nfs/dbraw/zinc/36/45/27/823364527.db2.gz OVLSSOAQXITJBI-UHFFFAOYSA-N 1 0 385.508 4.006 20 0 GIADRO CCCCOc1ccc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1OC ZINC000022463285 818810381 /nfs/dbraw/zinc/81/03/81/818810381.db2.gz MJWPNEVBXGEXFU-NRFANRHFSA-N 1 0 396.531 4.441 20 0 GIADRO C[NH+](C)Cc1ccccc1CNC(=O)c1cccnc1Sc1ccccc1 ZINC000022507215 818819303 /nfs/dbraw/zinc/81/93/03/818819303.db2.gz DIAGVIRNCSJCLV-UHFFFAOYSA-N 1 0 377.513 4.224 20 0 GIADRO Cc1nc(-c2ccccc2)sc1C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000022609303 818832548 /nfs/dbraw/zinc/83/25/48/818832548.db2.gz YGJJSTDCZDAUSJ-SFHVURJKSA-N 1 0 383.492 4.290 20 0 GIADRO O=C(CC[NH2+]Cc1cccc2ccccc21)Nc1ccc(N2CCCC2=O)cc1 ZINC000572594873 823366867 /nfs/dbraw/zinc/36/68/67/823366867.db2.gz ICDLOPRXONRBRL-UHFFFAOYSA-N 1 0 387.483 4.085 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)NC(c1ccccc1)c1ccccc1)c1ccsc1 ZINC000022678977 818841606 /nfs/dbraw/zinc/84/16/06/818841606.db2.gz SVDCFCNUYUPJNE-FQEVSTJZSA-N 1 0 379.529 4.440 20 0 GIADRO CCCOc1ccc(NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1OCCC ZINC000410020335 823372971 /nfs/dbraw/zinc/37/29/71/823372971.db2.gz KXTKJVLMGWXNSF-LJQANCHMSA-N 1 0 389.540 4.356 20 0 GIADRO COc1ccc([C@H](CNC(=O)[C@H](C)Oc2ccc(C)cc2)[NH+]2CCCCC2)cc1 ZINC000022685516 818843634 /nfs/dbraw/zinc/84/36/34/818843634.db2.gz DGAUWPDXXBXYBI-CVDCTZTESA-N 1 0 396.531 4.114 20 0 GIADRO Cc1nsc(C)c1C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000572600637 823367795 /nfs/dbraw/zinc/36/77/95/823367795.db2.gz XJBACMLMXFSNDI-UHFFFAOYSA-N 1 0 379.913 4.139 20 0 GIADRO O=C(c1cc(Cl)ccc1OC1CCCC1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000572599563 823367823 /nfs/dbraw/zinc/36/78/23/823367823.db2.gz CCEJJLHFCMYPIK-JKSUJKDBSA-N 1 0 376.928 4.123 20 0 GIADRO CS(=O)(=O)c1ccc(-c2nc(C[NH2+]C3(C4CCC4)CCC3)cs2)cc1 ZINC000572604885 823368713 /nfs/dbraw/zinc/36/87/13/823368713.db2.gz GGNXXYGUOUZONB-UHFFFAOYSA-N 1 0 376.547 4.026 20 0 GIADRO CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]CC[C@@H]2COc3ccccc3O2)cc1 ZINC000572610923 823368934 /nfs/dbraw/zinc/36/89/34/823368934.db2.gz FUYMFABKAHTUKM-QFBILLFUSA-N 1 0 383.492 4.097 20 0 GIADRO COc1cc(C[NH2+]CCOc2cccc(C)c2)ccc1OCc1c(C)noc1C ZINC000022786382 818860676 /nfs/dbraw/zinc/86/06/76/818860676.db2.gz LIKVWWTVFJVMJR-UHFFFAOYSA-N 1 0 396.487 4.356 20 0 GIADRO O=C(CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)Nc1ccccc1 ZINC000022795956 818861949 /nfs/dbraw/zinc/86/19/49/818861949.db2.gz USUHBWBMZODUAP-UHFFFAOYSA-N 1 0 385.511 4.032 20 0 GIADRO CCSc1ccccc1C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000022870061 818868458 /nfs/dbraw/zinc/86/84/58/818868458.db2.gz JWMVVQYOHCPJST-FQEVSTJZSA-N 1 0 384.545 4.374 20 0 GIADRO COCCC1(C[NH2+]Cc2cccc(COC3CCOCC3)c2)CCCCC1 ZINC000189192003 823373221 /nfs/dbraw/zinc/37/32/21/823373221.db2.gz BAIOLXYLDGQJDS-UHFFFAOYSA-N 1 0 375.553 4.459 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)CCCOc1ccccc1C)[NH+]1CCCC1 ZINC000022881569 818870964 /nfs/dbraw/zinc/87/09/64/818870964.db2.gz QRRYPBZPVMHYKV-NRFANRHFSA-N 1 0 396.531 4.116 20 0 GIADRO COc1cccc(-c2ccc(C[NH2+][C@H](C)c3cccc(-n4cnnn4)c3)cc2)c1 ZINC000122542283 823369724 /nfs/dbraw/zinc/36/97/24/823369724.db2.gz LTHODBZHAYEUGG-QGZVFWFLSA-N 1 0 385.471 4.189 20 0 GIADRO O=C(/C=C/c1ccc(-c2ccc(F)cc2)s1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000022891272 818872448 /nfs/dbraw/zinc/87/24/48/818872448.db2.gz KWPSWSUAANTZQI-SOFGYWHQSA-N 1 0 393.487 4.311 20 0 GIADRO C[NH+](C)CCCOC1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000177107210 823373303 /nfs/dbraw/zinc/37/33/03/823373303.db2.gz HOXQICCDNLYMSR-QZTJIDSGSA-N 1 0 399.362 4.056 20 0 GIADRO O=C(NC[C@@H]1CCC[NH2+]C1)N[C@@H](c1ccccc1Cl)c1cc(F)ccc1F ZINC000572618516 823370146 /nfs/dbraw/zinc/37/01/46/823370146.db2.gz NUQWCEWOFYUEHO-YJYMSZOUSA-N 1 0 393.865 4.006 20 0 GIADRO Cc1nn(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(=S)s1 ZINC000022940761 818879136 /nfs/dbraw/zinc/87/91/36/818879136.db2.gz ALCMZMDLIVVYAW-UHFFFAOYSA-N 1 0 396.585 4.347 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)CCc1cccc(OC)c1)c1ccccc1Cl ZINC000022966802 818881037 /nfs/dbraw/zinc/88/10/37/818881037.db2.gz RCIKJUSQOJZVEI-OAQYLSRUSA-N 1 0 388.939 4.481 20 0 GIADRO O=C(CCCOc1ccccc1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000022968417 818881261 /nfs/dbraw/zinc/88/12/61/818881261.db2.gz MDGVLKSCUPFMPA-UHFFFAOYSA-N 1 0 386.923 4.280 20 0 GIADRO O=C(NCC1CC[NH+](Cc2ccncc2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000023015891 818887405 /nfs/dbraw/zinc/88/74/05/818887405.db2.gz HQUNRNKCOLAIQU-UHFFFAOYSA-N 1 0 378.303 4.030 20 0 GIADRO O=C(NCC1CC[NH+](Cc2ccncc2)CC1)c1ccc(Cl)cc1Cl ZINC000023015881 818887442 /nfs/dbraw/zinc/88/74/42/818887442.db2.gz HDQGDKWYZOBCAN-UHFFFAOYSA-N 1 0 378.303 4.030 20 0 GIADRO Clc1ccc(CN2CCC[N@H+](Cc3cnn(-c4ccccc4)c3)CC2)cc1 ZINC000023010159 818887509 /nfs/dbraw/zinc/88/75/09/818887509.db2.gz VAKLIYVSNKKNPB-UHFFFAOYSA-N 1 0 380.923 4.234 20 0 GIADRO C[C@H]1C[C@H](NC(=O)CCSc2ccnc3cc(Cl)ccc32)C[N@@H+]1C1CC1 ZINC000177102900 823371847 /nfs/dbraw/zinc/37/18/47/823371847.db2.gz RTJDIUUJEWKQMF-ZFWWWQNUSA-N 1 0 389.952 4.112 20 0 GIADRO CCC[N@H+](CCC(=O)Nc1cccc(Cl)c1)CC(=O)Nc1ccccc1C ZINC000023146113 818903779 /nfs/dbraw/zinc/90/37/79/818903779.db2.gz DUBPSHLNGSYFLW-UHFFFAOYSA-N 1 0 387.911 4.328 20 0 GIADRO Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)NCC[NH+](C(C)C)C(C)C)c12 ZINC000023179887 818905768 /nfs/dbraw/zinc/90/57/68/818905768.db2.gz LMRFHNLCPNMZBY-UHFFFAOYSA-N 1 0 398.482 4.186 20 0 GIADRO CC[NH+](CC)CCOc1ccc(CNC(=O)c2c(F)cccc2Cl)cc1 ZINC000058259151 823372384 /nfs/dbraw/zinc/37/23/84/823372384.db2.gz HOLUYFDTYKIVLY-UHFFFAOYSA-N 1 0 378.875 4.130 20 0 GIADRO C[C@H]1C[C@H](NC(=O)Nc2cnn(-c3ccccc3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000177110445 823373718 /nfs/dbraw/zinc/37/37/18/823373718.db2.gz CRNCFAUZUWSHSM-AZUAARDMSA-N 1 0 389.503 4.047 20 0 GIADRO CCCCOc1ccc(-c2nnc(C[N@@H+]3CCC[C@H]3[C@H]3CCCOC3)o2)cc1 ZINC000572636855 823372662 /nfs/dbraw/zinc/37/26/62/823372662.db2.gz FEILNJPLOPUQQF-ICSRJNTNSA-N 1 0 385.508 4.307 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000023229001 818914675 /nfs/dbraw/zinc/91/46/75/818914675.db2.gz YJKVXOASLFJJST-UHFFFAOYSA-N 1 0 378.303 4.388 20 0 GIADRO O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NCCC[NH+]1CCCCCC1 ZINC000023237213 818915949 /nfs/dbraw/zinc/91/59/49/818915949.db2.gz YORTYRBMURYQMM-UHFFFAOYSA-N 1 0 389.927 4.310 20 0 GIADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N(C)[C@H]2CC[C@@H](C(F)(F)F)CC2)C1 ZINC000460388705 823372986 /nfs/dbraw/zinc/37/29/86/823372986.db2.gz QXERRLSHHSWQER-ZACQAIPSSA-N 1 0 377.495 4.117 20 0 GIADRO O=C(NCC[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1)c1c(F)cccc1F ZINC000189196854 823373935 /nfs/dbraw/zinc/37/39/35/823373935.db2.gz JWSLPYIKAXVYPH-UHFFFAOYSA-N 1 0 392.755 4.157 20 0 GIADRO COc1cccc(NC(=S)N2CC[NH+](Cc3cccc4ccccc43)CC2)c1 ZINC000023340455 818923951 /nfs/dbraw/zinc/92/39/51/818923951.db2.gz FVOHBSGPQQDGSH-UHFFFAOYSA-N 1 0 391.540 4.363 20 0 GIADRO Cc1cc(C)c(NC(=O)CN2CCC[N@H+](Cc3ccccc3)CC2)c(Cl)c1 ZINC000023355109 818927099 /nfs/dbraw/zinc/92/70/99/818927099.db2.gz KJBCIFMZKWTBDV-UHFFFAOYSA-N 1 0 385.939 4.103 20 0 GIADRO CC(C)c1c(C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cnn1-c1cccc(Cl)c1 ZINC000177116153 823374864 /nfs/dbraw/zinc/37/48/64/823374864.db2.gz PNIZBALSPHVLQI-ZBFHGGJFSA-N 1 0 386.927 4.004 20 0 GIADRO O[C@H](C[NH2+]C(C1CC1)C1CC1)COC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000023679168 818973251 /nfs/dbraw/zinc/97/32/51/818973251.db2.gz XZPVOOFXFVRWDA-OAQYLSRUSA-N 1 0 387.470 4.210 20 0 GIADRO Clc1cccc(N2CC[NH+](CCCc3nc(-c4cccs4)no3)CC2)c1 ZINC000023699653 818975217 /nfs/dbraw/zinc/97/52/17/818975217.db2.gz XRVCPOQCECYERJ-UHFFFAOYSA-N 1 0 388.924 4.206 20 0 GIADRO C[NH+](C)C(C)(C)CNc1nc(-c2cccnc2)nc2sc3c(c21)CCCC3 ZINC000023745414 818979230 /nfs/dbraw/zinc/97/92/30/818979230.db2.gz MMMQVFNLXKAYJE-UHFFFAOYSA-N 1 0 381.549 4.384 20 0 GIADRO CCCN(CC[NH+]1CCCCCC1)C(=O)NCc1coc(-c2ccccc2)n1 ZINC000460404924 823377960 /nfs/dbraw/zinc/37/79/60/823377960.db2.gz XMQAEMKQMBPYHG-UHFFFAOYSA-N 1 0 384.524 4.139 20 0 GIADRO C[C@@H](c1nc(C(C)(C)C)no1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000023904031 818992560 /nfs/dbraw/zinc/99/25/60/818992560.db2.gz HJZPTYKNUOAQTD-KRWDZBQOSA-N 1 0 378.520 4.399 20 0 GIADRO CC[NH+](CC)CCOc1ccc(C(=O)Nc2cccc(OC(F)F)c2)cc1 ZINC000058315494 823378077 /nfs/dbraw/zinc/37/80/77/823378077.db2.gz IJPPACVVZNVRCX-UHFFFAOYSA-N 1 0 378.419 4.261 20 0 GIADRO COc1ccc(CCC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)cc1 ZINC000023957016 818997320 /nfs/dbraw/zinc/99/73/20/818997320.db2.gz MTGWNJCYFXSOHH-UHFFFAOYSA-N 1 0 388.511 4.125 20 0 GIADRO COc1ccc2[nH]c(C(=O)N3CCC(C[N@H+](C)Cc4ccccc4)CC3)cc2c1 ZINC000189231267 823379155 /nfs/dbraw/zinc/37/91/55/823379155.db2.gz YQRLLIZJZFBPLM-UHFFFAOYSA-N 1 0 391.515 4.161 20 0 GIADRO CN(C)C(=O)Sc1ccc(C[N@H+](CCc2ccccc2)[C@@H]2CCOC2)cc1 ZINC000177150539 823383810 /nfs/dbraw/zinc/38/38/10/823383810.db2.gz PZDNOFYDLPKQQN-HXUWFJFHSA-N 1 0 384.545 4.294 20 0 GIADRO CCOCCC[NH2+][C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000023994538 819004356 /nfs/dbraw/zinc/00/43/56/819004356.db2.gz UNGVRGWMARHAIF-GOSISDBHSA-N 1 0 380.410 4.401 20 0 GIADRO COc1ccc([C@H](CNc2nnc(-c3ccccc3)s2)[NH+]2CCCC2)cc1 ZINC000024053363 819016480 /nfs/dbraw/zinc/01/64/80/819016480.db2.gz OJTFEIDCOLBZLH-IBGZPJMESA-N 1 0 380.517 4.463 20 0 GIADRO COc1ccc(-c2cc(C(=O)N3CCN(c4cc[nH+]cc4)CC3)sc2C)cc1 ZINC000024086188 819021756 /nfs/dbraw/zinc/02/17/56/819021756.db2.gz WYWRILAOEVGTIW-UHFFFAOYSA-N 1 0 393.512 4.090 20 0 GIADRO C/C=C/c1ccc(OC[C@@H](O)C[N@H+](Cc2ccc(F)cc2)C2CC2)c(OC)c1 ZINC000024101400 819024157 /nfs/dbraw/zinc/02/41/57/819024157.db2.gz MKDMFLYEYWXJTP-SHTLVRLNSA-N 1 0 385.479 4.272 20 0 GIADRO O=C(CC[NH+]1CCC([C@@H]2CCCO2)CC1)NC(c1ccccc1)c1ccccc1 ZINC000189239643 823380519 /nfs/dbraw/zinc/38/05/19/823380519.db2.gz KITBLXNNJZJLJX-QHCPKHFHSA-N 1 0 392.543 4.173 20 0 GIADRO CC(C)Oc1ccc([C@H](C[NH2+]Cc2ccc(N(C)C(C)C)nc2)N(C)C)cc1 ZINC000572677339 823380649 /nfs/dbraw/zinc/38/06/49/823380649.db2.gz FPMRYZXWZRDRFL-QFIPXVFZSA-N 1 0 384.568 4.106 20 0 GIADRO CCOCc1ccccc1C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000122608185 823380842 /nfs/dbraw/zinc/38/08/42/823380842.db2.gz KPUKWBMPYWUHPC-UHFFFAOYSA-N 1 0 386.923 4.271 20 0 GIADRO CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000024189765 819031064 /nfs/dbraw/zinc/03/10/64/819031064.db2.gz YDTKFDBOKWKPPT-UHFFFAOYSA-N 1 0 386.923 4.410 20 0 GIADRO Cc1nc(-c2c[nH]c(C(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)c2)cs1 ZINC000024186635 819031081 /nfs/dbraw/zinc/03/10/81/819031081.db2.gz SSNXRPYPDUQWGD-UHFFFAOYSA-N 1 0 394.544 4.363 20 0 GIADRO CC[C@H]([NH2+]CC(=O)N[C@@H](C)c1cc(OC)ccc1OC)c1ccc(Cl)cc1 ZINC000024254627 819039402 /nfs/dbraw/zinc/03/94/02/819039402.db2.gz RFDXVRNZQRGHGM-LIRRHRJNSA-N 1 0 390.911 4.275 20 0 GIADRO COCCCOc1cccc(NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000177145546 823382373 /nfs/dbraw/zinc/38/23/73/823382373.db2.gz XWOGSDJEGWCAHY-QFIPXVFZSA-N 1 0 397.519 4.061 20 0 GIADRO CCc1ccc(C(=O)CCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000024389723 819053702 /nfs/dbraw/zinc/05/37/02/819053702.db2.gz NZKQFHMZDPTBQC-UHFFFAOYSA-N 1 0 378.516 4.124 20 0 GIADRO CCCN(CCC[NH+](C)C)C(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C ZINC000189263463 823383142 /nfs/dbraw/zinc/38/31/42/823383142.db2.gz MUFBYVSDQZIYNC-UHFFFAOYSA-N 1 0 397.523 4.076 20 0 GIADRO C[C@H](NC(=O)C(C)(C)COCc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000410076568 823384999 /nfs/dbraw/zinc/38/49/99/823384999.db2.gz PQMWMAJIYNXSJS-NZQKXSOJSA-N 1 0 394.559 4.256 20 0 GIADRO CC1(c2ccccc2)CC(NC(=O)c2ccc(C[NH+]3CCSCC3)cc2)C1 ZINC000410076111 823385038 /nfs/dbraw/zinc/38/50/38/823385038.db2.gz BVCQBEDHMCDNTM-UHFFFAOYSA-N 1 0 380.557 4.086 20 0 GIADRO FC(F)Oc1ccc(Br)cc1CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000058396341 823385494 /nfs/dbraw/zinc/38/54/94/823385494.db2.gz LANICCCDYXUDTB-OAHLLOKOSA-N 1 0 389.284 4.111 20 0 GIADRO O[C@@H](C[N@H+](Cc1ccccc1)Cc1cncc(Br)c1)c1ccco1 ZINC000177157316 823386528 /nfs/dbraw/zinc/38/65/28/823386528.db2.gz ZCAKUTRBDJPQHI-SFHVURJKSA-N 1 0 387.277 4.173 20 0 GIADRO COc1ccc(OC)c(NC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)c1 ZINC000058413843 823387279 /nfs/dbraw/zinc/38/72/79/823387279.db2.gz KBYMGGAEDWOYHY-UHFFFAOYSA-N 1 0 397.519 4.402 20 0 GIADRO CC(=O)CCc1ccc2oc(C(=O)NCc3ccc([C@H](C)[NH3+])cc3)c(C)c2c1 ZINC000572713469 823387583 /nfs/dbraw/zinc/38/75/83/823387583.db2.gz JYPXFMURLIXYDX-INIZCTEOSA-N 1 0 378.472 4.213 20 0 GIADRO C[N@H+](Cc1nnc(-c2ccc(Br)o2)o1)CC1(c2ccccc2)CC1 ZINC000189289740 823387990 /nfs/dbraw/zinc/38/79/90/823387990.db2.gz KDNUIHHAJKGRQI-UHFFFAOYSA-N 1 0 388.265 4.256 20 0 GIADRO CCc1noc(-c2ccc(C)c(NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c2)n1 ZINC000177165609 823388431 /nfs/dbraw/zinc/38/84/31/823388431.db2.gz XYNGFHVEJRAPFN-QGZVFWFLSA-N 1 0 387.528 4.095 20 0 GIADRO [NH3+]C[C@@H]1CCCN(C(=O)c2c(F)cccc2Sc2ccc(Cl)cc2)C1 ZINC000572722249 823388831 /nfs/dbraw/zinc/38/88/31/823388831.db2.gz VLHCPLQMUMCCLQ-ZDUSSCGKSA-N 1 0 378.900 4.441 20 0 GIADRO CC(=O)c1ccc(CC(=O)N[C@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)cc1 ZINC000410103454 823392513 /nfs/dbraw/zinc/39/25/13/823392513.db2.gz PBBYWXCFZPWIFB-HSZRJFAPSA-N 1 0 392.543 4.021 20 0 GIADRO CC(C)c1nccn1Cc1cccc(NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)c1 ZINC000058424830 823389617 /nfs/dbraw/zinc/38/96/17/823389617.db2.gz GGHZMKNBRQCOPD-UHFFFAOYSA-N 1 0 397.567 4.393 20 0 GIADRO CC(C)c1[nH+]c(CN[C@H](c2nc(-c3ccncc3)no2)C(C)C)c2ccccn21 ZINC000572727435 823389640 /nfs/dbraw/zinc/38/96/40/823389640.db2.gz BJKSAAYCKBISAN-IBGZPJMESA-N 1 0 390.491 4.390 20 0 GIADRO Cc1ccccc1C(C)(C)[NH2+]CC(=O)N[C@@H](c1nccs1)c1ccccc1 ZINC000572740299 823391310 /nfs/dbraw/zinc/39/13/10/823391310.db2.gz PVIFDWMBWJSERV-HXUWFJFHSA-N 1 0 379.529 4.182 20 0 GIADRO C[N@H+](CCNC(=O)Nc1ccc2nc(C3CC3)sc2c1)Cc1ccccc1 ZINC000058454003 823394062 /nfs/dbraw/zinc/39/40/62/823394062.db2.gz MFZDMADKEJALHH-UHFFFAOYSA-N 1 0 380.517 4.427 20 0 GIADRO CC[NH+](CC)CCOC1CCN(C(=O)N[C@H](C)c2ccccc2SC)CC1 ZINC000410111805 823395037 /nfs/dbraw/zinc/39/50/37/823395037.db2.gz WGTNKTLYVBPGQB-QGZVFWFLSA-N 1 0 393.597 4.002 20 0 GIADRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(OCC(F)(F)F)cc2)cc1 ZINC000122691772 823395492 /nfs/dbraw/zinc/39/54/92/823395492.db2.gz XEZIKKISSSESSN-KGLIPLIRSA-N 1 0 396.409 4.314 20 0 GIADRO CC(C)c1ccc(NC(=S)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)cc1 ZINC000058467862 823396114 /nfs/dbraw/zinc/39/61/14/823396114.db2.gz BTODQMXXRMALRT-UHFFFAOYSA-N 1 0 398.532 4.088 20 0 GIADRO Brc1cc(C[NH2+]Cc2cc3ccccc3[nH]2)cc2c1OCCCO2 ZINC000058473626 823396996 /nfs/dbraw/zinc/39/69/96/823396996.db2.gz WJOKHAFZHDGABP-UHFFFAOYSA-N 1 0 387.277 4.382 20 0 GIADRO CC[NH+](CC)CCN(C(=O)c1cnccc1C)c1cccc(C(F)(F)F)c1 ZINC000572777033 823397185 /nfs/dbraw/zinc/39/71/85/823397185.db2.gz YNHFWYXAHCODNG-UHFFFAOYSA-N 1 0 379.426 4.397 20 0 GIADRO CC(C)(C[NH2+]Cc1ccc(Br)s1)c1ccc2c(c1)OCCO2 ZINC000058476658 823397401 /nfs/dbraw/zinc/39/74/01/823397401.db2.gz MFCHSXRKUNLHIB-UHFFFAOYSA-N 1 0 382.323 4.349 20 0 GIADRO C[C@H]([NH2+]C[C@@H](c1ccccc1Cl)N1CCOCC1)c1cccnc1Cl ZINC000122706381 823397964 /nfs/dbraw/zinc/39/79/64/823397964.db2.gz KYCYONAQTIMTPY-KSSFIOAISA-N 1 0 380.319 4.113 20 0 GIADRO Cc1cc(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)c(C)n1Cc1ccccc1 ZINC000058491791 823399172 /nfs/dbraw/zinc/39/91/72/823399172.db2.gz SYBMZULXSSIUHN-UHFFFAOYSA-N 1 0 391.515 4.346 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)c2ccccc2C(=O)c2ccccc2)cc1 ZINC000058491661 823399192 /nfs/dbraw/zinc/39/91/92/823399192.db2.gz KIBPPKCSMHJRJZ-UHFFFAOYSA-N 1 0 388.467 4.110 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)c2cc(C3CC3)nc3ccccc32)cc1 ZINC000058491627 823399342 /nfs/dbraw/zinc/39/93/42/823399342.db2.gz YJGQHTWQQWBGMT-UHFFFAOYSA-N 1 0 375.472 4.305 20 0 GIADRO C[C@H]([NH2+]C1(CNCc2ccc(Cl)cc2F)CCOCC1)c1ccccc1 ZINC000189354121 823399795 /nfs/dbraw/zinc/39/97/95/823399795.db2.gz SSPZQVVCXHBADD-INIZCTEOSA-N 1 0 376.903 4.469 20 0 GIADRO C[C@H]([NH2+]C[C@@H](c1ccccc1Cl)N1CCOCC1)c1ccnc(Cl)c1 ZINC000122720205 823400017 /nfs/dbraw/zinc/40/00/17/823400017.db2.gz PYAVSHXGJGDZSD-KSSFIOAISA-N 1 0 380.319 4.113 20 0 GIADRO CCN(CCC[NH+](C)C)C(=O)N[C@@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000189359108 823400235 /nfs/dbraw/zinc/40/02/35/823400235.db2.gz CRNIALGYZRORHN-HNNXBMFYSA-N 1 0 392.544 4.302 20 0 GIADRO FC(F)Oc1cc2c(cc1C[NH2+]C[C@H]1CC[C@H](c3ccccc3)O1)OCO2 ZINC000572797143 823400437 /nfs/dbraw/zinc/40/04/37/823400437.db2.gz IXLPPOGCCGIEMG-HZPDHXFCSA-N 1 0 377.387 4.027 20 0 GIADRO Cc1nc2c(s1)[C@H]([NH2+]C[C@H](c1ccccc1Cl)N1CCOCC1)CCC2 ZINC000122725393 823400887 /nfs/dbraw/zinc/40/08/87/823400887.db2.gz JARPGACNYWECOU-IEBWSBKVSA-N 1 0 391.968 4.145 20 0 GIADRO CC[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc(NC(C)=O)cc1 ZINC000058523881 823403763 /nfs/dbraw/zinc/40/37/63/823403763.db2.gz OCSSOAXWOUABJE-JRFVFWCSSA-N 1 0 396.531 4.043 20 0 GIADRO O=C(Nc1cccc(Cl)c1Cl)NC1CC[NH+](CCc2ccncc2)CC1 ZINC000122740649 823403812 /nfs/dbraw/zinc/40/38/12/823403812.db2.gz PRSNOGLMSDRVRZ-UHFFFAOYSA-N 1 0 393.318 4.217 20 0 GIADRO COc1cc(C)c([C@@H](C)[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)cc1OC ZINC000177217403 823402098 /nfs/dbraw/zinc/40/20/98/823402098.db2.gz QQYWOAMDZXJDIY-OAHLLOKOSA-N 1 0 378.513 4.062 20 0 GIADRO COc1cccc([C@@H](C)[NH2+]C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1 ZINC000177217643 823402206 /nfs/dbraw/zinc/40/22/06/823402206.db2.gz MMQPZEVITLUDBA-CQSZACIVSA-N 1 0 379.426 4.429 20 0 GIADRO COCCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccccc2-n2cccn2)cc1OC ZINC000177225283 823404109 /nfs/dbraw/zinc/40/41/09/823404109.db2.gz KZOZWUMLGQQEBD-MSOLQXFVSA-N 1 0 395.503 4.318 20 0 GIADRO COc1cc(C[N@H+](C)C[C@H](O)COc2cccc3ccccc32)ccc1SC ZINC000058528316 823404348 /nfs/dbraw/zinc/40/43/48/823404348.db2.gz BZARSKDREVOWRC-IBGZPJMESA-N 1 0 397.540 4.442 20 0 GIADRO O=C(CCSc1ccc(F)cc1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000058530964 823404870 /nfs/dbraw/zinc/40/48/70/823404870.db2.gz HRXJLAMOVUHCNR-UHFFFAOYSA-N 1 0 390.499 4.228 20 0 GIADRO Cn1c2ccccc2c(Cl)c1C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000058531915 823404931 /nfs/dbraw/zinc/40/49/31/823404931.db2.gz QCEJVOMOXOPQMP-UHFFFAOYSA-N 1 0 399.897 4.365 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccc(Br)s1 ZINC000058530907 823404965 /nfs/dbraw/zinc/40/49/65/823404965.db2.gz OYAAWILBAQJUBP-UHFFFAOYSA-N 1 0 397.313 4.044 20 0 GIADRO Cc1cc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)c(C)n1Cc1ccccn1 ZINC000177230099 823405489 /nfs/dbraw/zinc/40/54/89/823405489.db2.gz VVACCQYQCXJVRN-UHFFFAOYSA-N 1 0 394.563 4.075 20 0 GIADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1cnn(-c2cccc(Cl)c2)c1 ZINC000177230979 823405522 /nfs/dbraw/zinc/40/55/22/823405522.db2.gz QJSCZIMGJLPKKD-UHFFFAOYSA-N 1 0 386.927 4.053 20 0 GIADRO COc1ccc(OCc2ccccn2)c(C[NH2+]CCc2nc(C)c(C)s2)c1 ZINC000122756549 823406707 /nfs/dbraw/zinc/40/67/07/823406707.db2.gz TUUXNANRUZHHAA-UHFFFAOYSA-N 1 0 383.517 4.075 20 0 GIADRO COc1ccc2c(c1)[C@@H](C(=O)N(C)C[C@@H]1CC[N@H+](Cc3ccc(C)s3)C1)CC2 ZINC000572847955 823408787 /nfs/dbraw/zinc/40/87/87/823408787.db2.gz XYQXJDJCWYQIMG-UWJYYQICSA-N 1 0 398.572 4.075 20 0 GIADRO COc1ccc2c(c1)[C@@H](C(=O)N(C)C[C@H]1CC[N@H+](Cc3ccc(C)s3)C1)CC2 ZINC000572847954 823408811 /nfs/dbraw/zinc/40/88/11/823408811.db2.gz XYQXJDJCWYQIMG-UTKZUKDTSA-N 1 0 398.572 4.075 20 0 GIADRO CC(C)C[C@@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1cccs1 ZINC000177240149 823407649 /nfs/dbraw/zinc/40/76/49/823407649.db2.gz GIPXOSTUCBEFJQ-CRAIPNDOSA-N 1 0 380.579 4.436 20 0 GIADRO C[C@H]([NH2+]Cc1cc(-c2ccccc2)n[nH]1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000122762080 823407705 /nfs/dbraw/zinc/40/77/05/823407705.db2.gz SPMVADXATJZUHZ-MHECFPHRSA-N 1 0 391.515 4.492 20 0 GIADRO Cc1cc(Cl)cc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 ZINC000572848533 823408910 /nfs/dbraw/zinc/40/89/10/823408910.db2.gz OACBZQSLXIXGHI-UHFFFAOYSA-N 1 0 392.952 4.113 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)N2C[C@@H](C)Oc3ccc(OC)cc32)cc1)C(C)C ZINC000460496919 823408342 /nfs/dbraw/zinc/40/83/42/823408342.db2.gz ZUBLCXIOTQWBTA-QGZVFWFLSA-N 1 0 382.504 4.353 20 0 GIADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)cc1 ZINC000177247533 823408936 /nfs/dbraw/zinc/40/89/36/823408936.db2.gz CPYLHNDXIDPHTA-OPAMFIHVSA-N 1 0 398.503 4.174 20 0 GIADRO CCN(Cc1ccccn1)C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000177255359 823410855 /nfs/dbraw/zinc/41/08/55/823410855.db2.gz XSFVNJZUQBPIOC-IBGZPJMESA-N 1 0 386.565 4.148 20 0 GIADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccc(F)cc1Br ZINC000177256231 823411197 /nfs/dbraw/zinc/41/11/97/823411197.db2.gz HPRBHAWRCIGKBW-UHFFFAOYSA-N 1 0 383.305 4.115 20 0 GIADRO Cc1ccc2cc(C[NH2+][C@@H](c3ccc(Cl)cc3)[C@H]3CN(C)CCO3)ccc2n1 ZINC000189415354 823411298 /nfs/dbraw/zinc/41/12/98/823411298.db2.gz IMIFNBRLIAVPMI-PKTZIBPZSA-N 1 0 395.934 4.358 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccccc1-n1cccn1)c1cccc(N2CCOC2=O)c1 ZINC000177257033 823411345 /nfs/dbraw/zinc/41/13/45/823411345.db2.gz DYGIYXYOEOCBFJ-IRXDYDNUSA-N 1 0 376.460 4.241 20 0 GIADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1cc2c(cccc2OC(F)F)[nH]1 ZINC000177263813 823413930 /nfs/dbraw/zinc/41/39/30/823413930.db2.gz HDFWMBJANKIDTI-UHFFFAOYSA-N 1 0 391.462 4.296 20 0 GIADRO C[C@@H]([NH2+]C[C@H](O)c1ccccc1C(F)(F)F)c1ccccc1-n1cccn1 ZINC000177259068 823412451 /nfs/dbraw/zinc/41/24/51/823412451.db2.gz PZDYYGFMKIFECZ-KUHUBIRLSA-N 1 0 375.394 4.275 20 0 GIADRO C[C@@H](NC(=O)Nc1ccsc1Cl)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000189423192 823412544 /nfs/dbraw/zinc/41/25/44/823412544.db2.gz UCBSOCBRIDYBLU-GFCCVEGCSA-N 1 0 396.919 4.175 20 0 GIADRO CSc1ccc(NC(=O)N2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)cc1 ZINC000572850913 823409154 /nfs/dbraw/zinc/40/91/54/823409154.db2.gz ZPSNASWDTDGORE-UHFFFAOYSA-N 1 0 399.564 4.010 20 0 GIADRO O=C(Cc1csc(Cc2ccccc2)n1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177253423 823410319 /nfs/dbraw/zinc/41/03/19/823410319.db2.gz NWLGATJCIGVEEE-UHFFFAOYSA-N 1 0 397.588 4.190 20 0 GIADRO [NH3+]CC12CCC(CC1)CN2C(=O)[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000572893901 823415323 /nfs/dbraw/zinc/41/53/23/823415323.db2.gz DQUBKEFOVBVKIR-PKEBIYRUSA-N 1 0 390.527 4.099 20 0 GIADRO O=C(Nc1ccc2c(c1)C(=O)CCC2)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000177286207 823421760 /nfs/dbraw/zinc/42/17/60/823421760.db2.gz VJWMDNHJYXOJJX-UHFFFAOYSA-N 1 0 395.478 4.131 20 0 GIADRO CO[C@@](C)(C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccccc1F ZINC000572928894 823421839 /nfs/dbraw/zinc/42/18/39/823421839.db2.gz RGPVMAPNKWTBLP-GBXCKJPGSA-N 1 0 398.522 4.106 20 0 GIADRO FC(F)(F)CN1CCC(C[NH2+]Cc2ccc(OCc3ccncc3)cc2)CC1 ZINC000189460952 823422187 /nfs/dbraw/zinc/42/21/87/823422187.db2.gz CNAUESPNUCPCKJ-UHFFFAOYSA-N 1 0 393.453 4.025 20 0 GIADRO CC(C)(C[NH2+]C1CCC2(CC1)c1ccccc1NC2=O)c1ccc2c(c1)OCO2 ZINC000122848237 823422999 /nfs/dbraw/zinc/42/29/99/823422999.db2.gz RFHZNEVIMITLHR-UHFFFAOYSA-N 1 0 392.499 4.115 20 0 GIADRO COc1cc(OC)cc([C@@H]([NH2+]C2CCC(C(F)(F)F)CC2)c2nccn2C)c1 ZINC000122852599 823423386 /nfs/dbraw/zinc/42/33/86/823423386.db2.gz YXMSFOTTWUSCGY-JTTJXQCZSA-N 1 0 397.441 4.237 20 0 GIADRO COc1cc(OC)cc([C@H]([NH2+]C2CCC(C(F)(F)F)CC2)c2nccn2C)c1 ZINC000122852788 823423710 /nfs/dbraw/zinc/42/37/10/823423710.db2.gz YXMSFOTTWUSCGY-JMLCCBQJSA-N 1 0 397.441 4.237 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC000177295491 823424545 /nfs/dbraw/zinc/42/45/45/823424545.db2.gz ZJWPSVHMENQNFX-GOSISDBHSA-N 1 0 391.515 4.334 20 0 GIADRO CSC1(CNC(=O)Cc2csc3ccc(Cl)cc23)CC[NH+](C)CC1 ZINC000572925995 823421040 /nfs/dbraw/zinc/42/10/40/823421040.db2.gz DRQWMKIBMVSWRY-UHFFFAOYSA-N 1 0 382.982 4.041 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)Nc2cccc(OCCF)c2)CC1 ZINC000122865172 823425758 /nfs/dbraw/zinc/42/57/58/823425758.db2.gz UUZJBIDAXYYFEF-UHFFFAOYSA-N 1 0 385.483 4.163 20 0 GIADRO C[C@H](NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000122866080 823425923 /nfs/dbraw/zinc/42/59/23/823425923.db2.gz OUBOMQYZXFZRIC-GMBSWORKSA-N 1 0 395.469 4.425 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)CCc1ccccc1Br ZINC000177301375 823426373 /nfs/dbraw/zinc/42/63/73/823426373.db2.gz MOHPVVOULZGYMG-UHFFFAOYSA-N 1 0 375.310 4.390 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H](CC(C)C)NC(=O)c1ccccc1C ZINC000177301122 823426511 /nfs/dbraw/zinc/42/65/11/823426511.db2.gz QCVGAQBVYIEEDL-JOCHJYFZSA-N 1 0 395.547 4.148 20 0 GIADRO COc1ccc2[nH]c(C(=O)N3CCC(CC[N@@H+]4CCCC[C@H]4C)CC3)cc2c1 ZINC000189479913 823426806 /nfs/dbraw/zinc/42/68/06/823426806.db2.gz BOEVSIDIJBWWFO-QGZVFWFLSA-N 1 0 383.536 4.293 20 0 GIADRO O=C(c1ccc(SCc2ccccc2)cc1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000572958796 823426942 /nfs/dbraw/zinc/42/69/42/823426942.db2.gz LBXVXCDOKMKOCL-LEWJYISDSA-N 1 0 380.557 4.441 20 0 GIADRO C[N@@H+]1CC[C@H](CNC(=O)N2CC(C)(C)[C@@H]2C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000460549032 823427988 /nfs/dbraw/zinc/42/79/88/823427988.db2.gz DTBMKFTVOCLGLH-LZQZEXGQSA-N 1 0 393.934 4.302 20 0 GIADRO CC[C@H](C)Oc1ccc(NC(=O)C(=O)Nc2ccc(C[NH+](CC)CC)cc2)cc1 ZINC000189489388 823428752 /nfs/dbraw/zinc/42/87/52/823428752.db2.gz GXKSNKMKLKRMKR-KRWDZBQOSA-N 1 0 397.519 4.283 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N1CC[C@](F)(c2ccccc2)C1 ZINC000572987868 823430780 /nfs/dbraw/zinc/43/07/80/823430780.db2.gz MKFKBCVNXDDYBI-HSZRJFAPSA-N 1 0 381.495 4.063 20 0 GIADRO NC(=O)c1csc(C[NH+]2CCC(c3nc4cc(Cl)ccc4s3)CC2)c1 ZINC000122898278 823431015 /nfs/dbraw/zinc/43/10/15/823431015.db2.gz NACPYVVCLNNMAK-UHFFFAOYSA-N 1 0 391.949 4.490 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1cccc(Br)c1)C(=O)N1CCc2ccccc2C1 ZINC000410242128 823431412 /nfs/dbraw/zinc/43/14/12/823431412.db2.gz RCPAGEJFEPXYSB-HUUCEWRRSA-N 1 0 387.321 4.073 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1cccc(Br)c1)C(=O)N1CCc2ccccc2C1 ZINC000410242127 823431538 /nfs/dbraw/zinc/43/15/38/823431538.db2.gz RCPAGEJFEPXYSB-GJZGRUSLSA-N 1 0 387.321 4.073 20 0 GIADRO CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+]C1CCC(O)CC1 ZINC000122905423 823431911 /nfs/dbraw/zinc/43/19/11/823431911.db2.gz YQBATEHMQYUSAX-UHFFFAOYSA-N 1 0 392.341 4.151 20 0 GIADRO O=C(C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1)N[C@@H]1CCCc2ccccc21 ZINC000024663772 819861117 /nfs/dbraw/zinc/86/11/17/819861117.db2.gz LWADQWYZHMXMFI-UYAOXDASSA-N 1 0 389.499 4.201 20 0 GIADRO Cc1c(O)ccc2c(C[N@@H+]3CCC[C@@H](c4nc5ccccc5o4)C3)cc(=O)oc12 ZINC000024665520 819861677 /nfs/dbraw/zinc/86/16/77/819861677.db2.gz ANYBHUNREXCUGX-OAHLLOKOSA-N 1 0 390.439 4.328 20 0 GIADRO C[C@H](C1CC1)[N@@H+](Cc1ccccc1)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000024673637 819863620 /nfs/dbraw/zinc/86/36/20/819863620.db2.gz OHCNXMWOSYUJKX-CQSZACIVSA-N 1 0 379.529 4.274 20 0 GIADRO CC(C)(C)OC(=O)N1CCC([NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000177324169 823433781 /nfs/dbraw/zinc/43/37/81/823433781.db2.gz JMRBXBHGZWODOB-MRXNPFEDSA-N 1 0 389.323 4.016 20 0 GIADRO COc1ccc(Br)cc1C[N@H+](C)Cc1cc(OC)c(OC)cc1C ZINC000024802177 819878396 /nfs/dbraw/zinc/87/83/96/819878396.db2.gz BKWSGSMKTLUBNZ-UHFFFAOYSA-N 1 0 394.309 4.415 20 0 GIADRO Cc1cccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000573022467 823435211 /nfs/dbraw/zinc/43/52/11/823435211.db2.gz HXXHCZPEKSSZTB-KPOBHBOGSA-N 1 0 389.902 4.150 20 0 GIADRO COc1ccc(-c2nc(C(=O)Nc3ccccc3C[NH+](C)C)cs2)cc1OC ZINC000024811551 819880503 /nfs/dbraw/zinc/88/05/03/819880503.db2.gz DYQBGPKXZDJCHH-UHFFFAOYSA-N 1 0 397.500 4.141 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)[C@@H](NC(=O)c2ccccc2F)C(C)C)c1 ZINC000024925418 819895890 /nfs/dbraw/zinc/89/58/90/819895890.db2.gz IZNYSLAYKUUQDO-NRFANRHFSA-N 1 0 399.510 4.061 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)[C@H](NC(=O)c2ccc(C)cc2)C(C)C)c1 ZINC000024925429 819896196 /nfs/dbraw/zinc/89/61/96/819896196.db2.gz PYKTYGRDZMMSGC-JOCHJYFZSA-N 1 0 395.547 4.230 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)Cc2ccc(Br)cc2)c1 ZINC000024928479 819896305 /nfs/dbraw/zinc/89/63/05/819896305.db2.gz LZMLIPMDJBQSLU-UHFFFAOYSA-N 1 0 375.310 4.472 20 0 GIADRO C[C@@H](C(=O)NC(C)(C)C)[NH+]1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000025036440 819913195 /nfs/dbraw/zinc/91/31/95/819913195.db2.gz HPCALSRQJQEGMX-LBPRGKRZSA-N 1 0 379.957 4.432 20 0 GIADRO C[C@H]([NH2+][C@H]1CCSc2ccc(Cl)cc21)C(=O)NC(=O)Nc1ccccc1 ZINC000025217205 819944784 /nfs/dbraw/zinc/94/47/84/819944784.db2.gz CPEGYXHTMMHRNW-LRDDRELGSA-N 1 0 389.908 4.203 20 0 GIADRO COC(=O)COc1cccc(C[NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)c1 ZINC000177341312 823440101 /nfs/dbraw/zinc/44/01/01/823440101.db2.gz OHPDVXSCJQCIAN-QHCPKHFHSA-N 1 0 379.431 4.257 20 0 GIADRO CC(C)Cn1c(Cc2ccccc2F)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000460576454 823441045 /nfs/dbraw/zinc/44/10/45/823441045.db2.gz QISZRQIMYZXLJP-UHFFFAOYSA-N 1 0 399.558 4.119 20 0 GIADRO C[C@H](c1ccccc1)N1CCC([NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000177345811 823441272 /nfs/dbraw/zinc/44/12/72/823441272.db2.gz JTEAWXMSZPVWQU-GOSISDBHSA-N 1 0 387.568 4.201 20 0 GIADRO COc1ccc(COC[C@@H](O)C[N@@H+]2CCCCC[C@@H]2c2ccc(OC)cc2)cc1 ZINC000025302179 819957959 /nfs/dbraw/zinc/95/79/59/819957959.db2.gz UMLDIVSSHGGGQI-XUZZJYLKSA-N 1 0 399.531 4.199 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)c(CC(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)s1 ZINC000573093991 823446247 /nfs/dbraw/zinc/44/62/47/823446247.db2.gz RIBOGTKQHZDRSP-QFIPXVFZSA-N 1 0 397.588 4.206 20 0 GIADRO Cc1ccccc1-c1nnc(N2CCC[C@@H]([NH+]3CCCC3)CC2)n1CC(C)C ZINC000460588920 823446277 /nfs/dbraw/zinc/44/62/77/823446277.db2.gz GYZHNUUSDJVPRI-HXUWFJFHSA-N 1 0 381.568 4.364 20 0 GIADRO Cc1cccc(-c2nc(CC(=O)NC[C@H](c3ccsc3)[NH+](C)C)cs2)c1 ZINC000025330785 819964052 /nfs/dbraw/zinc/96/40/52/819964052.db2.gz CIEDLEHMBASXJJ-GOSISDBHSA-N 1 0 385.558 4.142 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(F)c(Br)c1)c1ccc(-n2cncn2)cc1 ZINC000025364923 819969985 /nfs/dbraw/zinc/96/99/85/819969985.db2.gz FJKHCXDMPBZBHO-LBPRGKRZSA-N 1 0 375.245 4.020 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(F)c(Br)c1)c1ccc(-n2cncn2)cc1 ZINC000025364918 819970029 /nfs/dbraw/zinc/97/00/29/819970029.db2.gz FJKHCXDMPBZBHO-GFCCVEGCSA-N 1 0 375.245 4.020 20 0 GIADRO COc1cccc([C@@H]2[C@H](NC(=O)Nc3ccc(OC)cc3C)CC[N@@H+]2C2CC2)c1 ZINC000189552710 823442439 /nfs/dbraw/zinc/44/24/39/823442439.db2.gz XOOXSDOTWGQUAH-FGZHOGPDSA-N 1 0 395.503 4.112 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)COC(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000025420904 819977962 /nfs/dbraw/zinc/97/79/62/819977962.db2.gz ASQLAGQFUKTYSB-HSZRJFAPSA-N 1 0 388.511 4.212 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc(C(=O)NCC(C)(C)C)cc1 ZINC000177351031 823442804 /nfs/dbraw/zinc/44/28/04/823442804.db2.gz BLTLJRBTLWWSJO-UHFFFAOYSA-N 1 0 381.520 4.085 20 0 GIADRO COCCc1ccccc1NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000189555382 823442983 /nfs/dbraw/zinc/44/29/83/823442983.db2.gz LURHHTWOOAATMA-UHFFFAOYSA-N 1 0 381.520 4.004 20 0 GIADRO CO[C@@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000177352520 823443241 /nfs/dbraw/zinc/44/32/41/823443241.db2.gz MWYBAHGEOATDCW-KBXCAEBGSA-N 1 0 382.932 4.405 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)C1(c2cccc(Br)c2)CC1 ZINC000177355458 823443433 /nfs/dbraw/zinc/44/34/33/823443433.db2.gz LXYPYMGAHFOUIY-UHFFFAOYSA-N 1 0 387.321 4.489 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000177355202 823443593 /nfs/dbraw/zinc/44/35/93/823443593.db2.gz DYDTYIYMPVUXMD-UHFFFAOYSA-N 1 0 389.540 4.032 20 0 GIADRO C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000025507634 819992468 /nfs/dbraw/zinc/99/24/68/819992468.db2.gz MHGJEVLMPSWGQS-LJQANCHMSA-N 1 0 389.543 4.170 20 0 GIADRO Cc1ccc(NC(=O)c2cccc(C)c2Br)c(OCC[NH+](C)C)c1 ZINC000122989050 823444132 /nfs/dbraw/zinc/44/41/32/823444132.db2.gz RKOVVJZAXKLDBK-UHFFFAOYSA-N 1 0 391.309 4.259 20 0 GIADRO O=C(CC[C@@H]1CCOC1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000177360243 823444619 /nfs/dbraw/zinc/44/46/19/823444619.db2.gz BGWSXDRNEJXQKE-MRXNPFEDSA-N 1 0 399.362 4.235 20 0 GIADRO C[C@H](CNC(=O)c1cc(F)c(Cl)cc1Cl)[N@@H+]1CCc2ccccc2C1 ZINC000025636205 820009466 /nfs/dbraw/zinc/00/94/66/820009466.db2.gz MAPKBYWODGWNGY-GFCCVEGCSA-N 1 0 381.278 4.309 20 0 GIADRO COc1cc(CNCc2ccno2)ccc1OCCOc1ccccc1Cl ZINC000573090685 823445962 /nfs/dbraw/zinc/44/59/62/823445962.db2.gz JEQZUQLKQAOIJC-UHFFFAOYSA-N 1 0 388.851 4.084 20 0 GIADRO CC[C@@H](C)Oc1cc(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)ccc1OC ZINC000122965391 823440939 /nfs/dbraw/zinc/44/09/39/823440939.db2.gz RWVLBPMMUYQOPC-XLIONFOSSA-N 1 0 377.525 4.033 20 0 GIADRO COc1ccc(NC(=O)[C@@H](C)[NH2+]CC2(c3ccccc3)CCCC2)cc1OC ZINC000025898535 820036652 /nfs/dbraw/zinc/03/66/52/820036652.db2.gz UOCGEFNSVCTZPU-QGZVFWFLSA-N 1 0 382.504 4.132 20 0 GIADRO CCOCc1nnc(N(CC)[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)n1CC(C)C ZINC000460592719 823448130 /nfs/dbraw/zinc/44/81/30/823448130.db2.gz VDDOSYCUWACKSJ-TZIWHRDSSA-N 1 0 399.583 4.132 20 0 GIADRO Cc1c(Cl)cccc1NC(=O)CN1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000573103095 823448137 /nfs/dbraw/zinc/44/81/37/823448137.db2.gz WBZQAALXTPXNBV-WOJBJXKFSA-N 1 0 397.950 4.041 20 0 GIADRO CCCOCc1ccccc1CNC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000123023388 823449386 /nfs/dbraw/zinc/44/93/86/823449386.db2.gz MBHUKPUQAIHPAP-UHFFFAOYSA-N 1 0 399.535 4.012 20 0 GIADRO O=C(c1ccco1)N1CCC([NH2+][C@@H]2CCCc3cc(OC(F)F)ccc32)CC1 ZINC000123022362 823449540 /nfs/dbraw/zinc/44/95/40/823449540.db2.gz YAYFFCZNVJEJPZ-GOSISDBHSA-N 1 0 390.430 4.153 20 0 GIADRO FC(F)(F)c1ccc(C[N@@H+]2CCCN(c3cnc4ccccc4n3)CC2)cc1 ZINC000026138308 820063951 /nfs/dbraw/zinc/06/39/51/820063951.db2.gz VBPUHGYUGOHFJR-UHFFFAOYSA-N 1 0 386.421 4.361 20 0 GIADRO COc1cc(C)c(C[N@@H+]2CCCC[C@H]2CNC(=O)Nc2ccccc2)cc1OC ZINC000026179998 820067201 /nfs/dbraw/zinc/06/72/01/820067201.db2.gz OKWCSYFOSKOVAG-FQEVSTJZSA-N 1 0 397.519 4.188 20 0 GIADRO COc1cc(C)c(C[N@@H+]2CCCC[C@@H]2CNC(=O)Nc2ccccc2)cc1OC ZINC000026179993 820067284 /nfs/dbraw/zinc/06/72/84/820067284.db2.gz OKWCSYFOSKOVAG-HXUWFJFHSA-N 1 0 397.519 4.188 20 0 GIADRO C[C@@H](CNC(=O)N(C)Cc1ccc2ccccc2c1)[N@@H+]1CCc2ccccc2C1 ZINC000026175550 820067333 /nfs/dbraw/zinc/06/73/33/820067333.db2.gz NFEWZMXVUNEVEY-IBGZPJMESA-N 1 0 387.527 4.428 20 0 GIADRO Cc1ccccc1NC(=O)[C@@H](C)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000026297917 820079296 /nfs/dbraw/zinc/07/92/96/820079296.db2.gz XERLIPGOBZZDEC-HXUWFJFHSA-N 1 0 387.527 4.293 20 0 GIADRO CC(C)[NH+]1CCC(NC(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)CC1 ZINC000123036419 823451406 /nfs/dbraw/zinc/45/14/06/823451406.db2.gz RRLVXHACBMIAQR-UHFFFAOYSA-N 1 0 396.000 4.479 20 0 GIADRO C[C@@H](N[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1Cl ZINC000026364700 820089479 /nfs/dbraw/zinc/08/94/79/820089479.db2.gz OOVZTRTWZNJHFF-MSOLQXFVSA-N 1 0 399.966 4.160 20 0 GIADRO CC1CC[NH+](Cc2ccc(CNC(=O)N(C)Cc3cccc(F)c3)cc2)CC1 ZINC000026381665 820092225 /nfs/dbraw/zinc/09/22/25/820092225.db2.gz GHYAXIRZEWRUHJ-UHFFFAOYSA-N 1 0 383.511 4.399 20 0 GIADRO C[N@@H+]1CC[C@H](NC(=O)Nc2cccc(Oc3ccncc3)c2)[C@@H]1c1ccccc1 ZINC000189595983 823454788 /nfs/dbraw/zinc/45/47/88/823454788.db2.gz LLDSYKWCPLPNOS-VXKWHMMOSA-N 1 0 388.471 4.441 20 0 GIADRO O=C1c2cc(Cl)ccc2NC2(CC[NH+](Cc3ccncc3)CC2)N1CC1CC1 ZINC000123057626 823454919 /nfs/dbraw/zinc/45/49/19/823454919.db2.gz GWMYKYHRCWHWDR-UHFFFAOYSA-N 1 0 396.922 4.005 20 0 GIADRO CC[NH+](CC)CCOc1ccc(CNC(=O)C(C)(C)c2ccccc2C)cc1 ZINC000058807011 823455762 /nfs/dbraw/zinc/45/57/62/823455762.db2.gz SJRDAYCKKJUHPE-UHFFFAOYSA-N 1 0 382.548 4.310 20 0 GIADRO CCSc1cc(C[NH2+]Cc2ccc(OCc3ccncc3)c(OC)c2)ccn1 ZINC000189603410 823456375 /nfs/dbraw/zinc/45/63/75/823456375.db2.gz JVNSSOIHUWYEHF-UHFFFAOYSA-N 1 0 395.528 4.466 20 0 GIADRO COC(=O)[C@H](C)[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1Cl)c1ccccc1 ZINC000177412310 823456331 /nfs/dbraw/zinc/45/63/31/823456331.db2.gz DTLJLJVMJQMRSH-KZULUSFZSA-N 1 0 395.286 4.072 20 0 GIADRO Cc1nc(-c2ccccc2)ccc1C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000026857067 820154009 /nfs/dbraw/zinc/15/40/09/820154009.db2.gz IGHBEVVRPBDZNL-UHFFFAOYSA-N 1 0 386.499 4.061 20 0 GIADRO COC(=O)[C@H](C)[C@H]([NH2+]CC(=O)Nc1cccc(Cl)c1Cl)c1ccccc1 ZINC000177415846 823457286 /nfs/dbraw/zinc/45/72/86/823457286.db2.gz IAYQLHWXBPXGPF-XIKOKIGWSA-N 1 0 395.286 4.072 20 0 GIADRO CC(C)[N@H+](CC(=O)N(C)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1)C1CC1 ZINC000026943136 820166772 /nfs/dbraw/zinc/16/67/72/820166772.db2.gz PEJCGMNCIKLBAR-GOSISDBHSA-N 1 0 393.531 4.331 20 0 GIADRO O[C@@]1(C[NH2+]Cc2ccc(OCC(F)(F)F)cc2)CCC[C@@H](C(F)(F)F)C1 ZINC000189612612 823458181 /nfs/dbraw/zinc/45/81/81/823458181.db2.gz QZQAAJZKAPFZAB-HIFRSBDPSA-N 1 0 385.348 4.201 20 0 GIADRO CCC[N@H+](CCCCC1CCOCC1)CC(=O)Nc1ccc(F)c(F)c1F ZINC000410310899 823459664 /nfs/dbraw/zinc/45/96/64/823459664.db2.gz ASFLSHXXNKHSMD-UHFFFAOYSA-N 1 0 386.458 4.351 20 0 GIADRO Cc1cc(C)c(Br)c(C(=O)NC2CC[NH+](CC3CCCC3)CC2)c1 ZINC000123081493 823458835 /nfs/dbraw/zinc/45/88/35/823458835.db2.gz URRYAAJLIPONHE-UHFFFAOYSA-N 1 0 393.369 4.450 20 0 GIADRO C[C@@H]1c2ccsc2CCN1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000410309802 823459031 /nfs/dbraw/zinc/45/90/31/823459031.db2.gz CPAJUGCSFSDRLD-QGZVFWFLSA-N 1 0 383.561 4.084 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)c2occc2Br)CC[N@@H+]1Cc1ccccc1 ZINC000177423098 823459193 /nfs/dbraw/zinc/45/91/93/823459193.db2.gz YOOZKBYNHJENTC-HOCLYGCPSA-N 1 0 391.309 4.167 20 0 GIADRO COc1cc(C(=O)NC2CC[NH+](C3CCCC3)CC2)ccc1OC1CCCC1 ZINC000177448943 823464827 /nfs/dbraw/zinc/46/48/27/823464827.db2.gz UBESDSZJVKDNHV-UHFFFAOYSA-N 1 0 386.536 4.153 20 0 GIADRO CCOc1ccc(/C=C(\C#N)C(=O)NC[C@@H](c2ccccc2)[NH+](CC)CC)cc1 ZINC000027088144 820192603 /nfs/dbraw/zinc/19/26/03/820192603.db2.gz IFLOCCIAWPZKRM-HWYOBBEWSA-N 1 0 391.515 4.192 20 0 GIADRO CC[C@H](C[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1)N1CCc2ccccc2C1 ZINC000123089898 823460454 /nfs/dbraw/zinc/46/04/54/823460454.db2.gz UJTVYSIPXGPPIJ-PGRDOPGGSA-N 1 0 393.531 4.131 20 0 GIADRO O=C(CCOc1cccc(Cl)c1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000058880140 823465403 /nfs/dbraw/zinc/46/54/03/823465403.db2.gz RIZSHHMHTXSWFG-UHFFFAOYSA-N 1 0 378.944 4.224 20 0 GIADRO CCCOc1ccc(OCC(=O)Nc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000027139374 820200012 /nfs/dbraw/zinc/20/00/12/820200012.db2.gz XRAGKYHFOJXDTH-UHFFFAOYSA-N 1 0 382.504 4.479 20 0 GIADRO COc1cccc([C@H](CNC(=O)Nc2ccc(OC(F)(F)F)cc2)[NH+](C)C)c1 ZINC000058844048 823461370 /nfs/dbraw/zinc/46/13/70/823461370.db2.gz PRTOMQZCZZDGDZ-KRWDZBQOSA-N 1 0 397.397 4.018 20 0 GIADRO Cc1cc(C(=O)C(C(=S)Nc2ccccc2)[n+]2ccc(C)cc2)c(C)n1C ZINC000027183941 820207479 /nfs/dbraw/zinc/20/74/79/820207479.db2.gz JNXYCZSJMDRVRT-UHFFFAOYSA-O 1 0 378.521 4.289 20 0 GIADRO CC[C@H](C[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1)N1CCc2ccccc2C1 ZINC000123098571 823462154 /nfs/dbraw/zinc/46/21/54/823462154.db2.gz BIXHKACOYLDXQH-PGRDOPGGSA-N 1 0 393.531 4.131 20 0 GIADRO Cc1ccc2c(c1)[C@H]([NH2+]Cc1c[nH]nc1-c1ccc3c(c1)OCCO3)CCC2 ZINC000573182472 823462194 /nfs/dbraw/zinc/46/21/94/823462194.db2.gz GELFNGIEVPVPAU-HXUWFJFHSA-N 1 0 375.472 4.324 20 0 GIADRO COc1cccc([C@H](CNC(=O)CCCOc2cccc(C)c2)[NH+]2CCCC2)c1 ZINC000027340927 820227925 /nfs/dbraw/zinc/22/79/25/820227925.db2.gz HMXHWAZTIKJOPM-QHCPKHFHSA-N 1 0 396.531 4.116 20 0 GIADRO Cc1nc(CSc2ccc(C(=O)N[C@H]3CCC[C@@H]([NH+](C)C)C3)cc2)cs1 ZINC000177444360 823463061 /nfs/dbraw/zinc/46/30/61/823463061.db2.gz OKBRGEWACWOQGY-FUHWJXTLSA-N 1 0 389.590 4.346 20 0 GIADRO O[C@@]1(C[NH2+]Cc2ccc(-c3ccncc3)cc2F)CCC[C@H](C(F)(F)F)C1 ZINC000189632686 823463153 /nfs/dbraw/zinc/46/31/53/823463153.db2.gz PRMBKXBFKVKMIO-HKUYNNGSSA-N 1 0 382.401 4.461 20 0 GIADRO Cc1cccc2oc(CC[NH2+]Cc3nc4cc(C(F)(F)F)ccc4n3C)nc21 ZINC000410324095 823463308 /nfs/dbraw/zinc/46/33/08/823463308.db2.gz QTGRKWYAGJBMAX-UHFFFAOYSA-N 1 0 388.393 4.374 20 0 GIADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2cc3ccc(Cl)cc3[nH]2)CC1 ZINC000027390509 820237893 /nfs/dbraw/zinc/23/78/93/820237893.db2.gz UICCXCPCRIIQML-UHFFFAOYSA-N 1 0 381.907 4.478 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)CCOc2ccc(Cl)c(Cl)c2)CC1 ZINC000058860974 823463405 /nfs/dbraw/zinc/46/34/05/823463405.db2.gz XIYZAWHWHMEVOB-UHFFFAOYSA-N 1 0 387.351 4.341 20 0 GIADRO Cn1cc(C[NH2+]Cc2ccccc2Cl)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000027394957 820239294 /nfs/dbraw/zinc/23/92/94/820239294.db2.gz CERPEYGKXBESFO-UHFFFAOYSA-N 1 0 383.879 4.192 20 0 GIADRO C[C@@H](CNC(=O)Nc1ccc(Br)cc1Cl)[N@@H+]1CCC[C@@H](C)C1 ZINC000058861556 823463680 /nfs/dbraw/zinc/46/36/80/823463680.db2.gz NICVGGKOMKBIGM-NEPJUHHUSA-N 1 0 388.737 4.344 20 0 GIADRO COc1ccc2c(c1F)CC[C@H]2[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000573194505 823463901 /nfs/dbraw/zinc/46/39/01/823463901.db2.gz VRWKYLAEBONCEY-MRXNPFEDSA-N 1 0 387.842 4.357 20 0 GIADRO CC(C)[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(N2CCCC2=O)c1)c1ccccc1 ZINC000027450977 820246203 /nfs/dbraw/zinc/24/62/03/820246203.db2.gz MBRRDAFALZALIW-HTAPYJJXSA-N 1 0 379.504 4.127 20 0 GIADRO CC(C)[C@@H]([NH2+]CC(=O)N1CCc2[nH]c3ccccc3c2C1)c1ccc(F)cc1 ZINC000027453607 820246851 /nfs/dbraw/zinc/24/68/51/820246851.db2.gz DLNKHWJKPGTYLX-HSZRJFAPSA-N 1 0 379.479 4.179 20 0 GIADRO CC[C@H](CNC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)c1ccccc1 ZINC000410328785 823464691 /nfs/dbraw/zinc/46/46/91/823464691.db2.gz DTQJYEXNRKIGMZ-HXUWFJFHSA-N 1 0 379.548 4.452 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)[C@@H](C)Sc1ccc(C)cc1)[NH+]1CCCC1 ZINC000027571246 820260345 /nfs/dbraw/zinc/26/03/45/820260345.db2.gz MPTZTJDKYMFFHT-NQIIRXRSSA-N 1 0 398.572 4.438 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)c1ccc2[nH]c(C)c(C)c2c1)[NH+]1CCCC1 ZINC000027569659 820260407 /nfs/dbraw/zinc/26/04/07/820260407.db2.gz XZKHMNRZAPFYKU-JOCHJYFZSA-N 1 0 391.515 4.360 20 0 GIADRO CC[C@H](C[NH2+][C@H](C)c1ccc(OC)c(NC(C)=O)c1)N1CCc2ccccc2C1 ZINC000123116119 823464796 /nfs/dbraw/zinc/46/47/96/823464796.db2.gz VJXRPDRBHJTDBX-VGOFRKELSA-N 1 0 395.547 4.141 20 0 GIADRO C[C@@H](C(=O)Nc1ccc2ccccc2c1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000027576176 820262819 /nfs/dbraw/zinc/26/28/19/820262819.db2.gz ACWBEQBLMIIPFE-FQEVSTJZSA-N 1 0 387.527 4.027 20 0 GIADRO CSCc1c2ccccc2oc1C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000027580427 820263525 /nfs/dbraw/zinc/26/35/25/820263525.db2.gz UQZCSHFZADONTD-QGZVFWFLSA-N 1 0 382.529 4.199 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1ccc(SC(F)(F)F)cc1)Cc1ccccc1 ZINC000027586561 820263881 /nfs/dbraw/zinc/26/38/81/820263881.db2.gz WGGFUISUAUVURH-MRXNPFEDSA-N 1 0 382.451 4.201 20 0 GIADRO O=C(c1ccc(Br)cc1F)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000058880545 823465735 /nfs/dbraw/zinc/46/57/35/823465735.db2.gz HGWVXVHSWQELEA-UHFFFAOYSA-N 1 0 397.332 4.316 20 0 GIADRO Cc1nn(CC(C)C)c(C)c1CCC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000027602464 820265542 /nfs/dbraw/zinc/26/55/42/820265542.db2.gz AIWSYUZTWNUGDN-QHCPKHFHSA-N 1 0 396.579 4.042 20 0 GIADRO COc1ccc(NC(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)c(OC)c1 ZINC000410332282 823465810 /nfs/dbraw/zinc/46/58/10/823465810.db2.gz FUMJKIKICPDQFC-UHFFFAOYSA-N 1 0 397.519 4.257 20 0 GIADRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+][C@H](C)C(=O)N(C)C(C)C)s2)cc1 ZINC000177452223 823465797 /nfs/dbraw/zinc/46/57/97/823465797.db2.gz AZGJPFNRYJALKL-DZGCQCFKSA-N 1 0 375.538 4.033 20 0 GIADRO CCOc1ccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1OCC ZINC000027604782 820266218 /nfs/dbraw/zinc/26/62/18/820266218.db2.gz UXVPQMAIWVCEFN-KRWDZBQOSA-N 1 0 388.533 4.112 20 0 GIADRO Cc1cc(C(=O)CCC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c(C)s1 ZINC000027606981 820266772 /nfs/dbraw/zinc/26/67/72/820266772.db2.gz HPFGCJRENPCAJP-QGZVFWFLSA-N 1 0 390.574 4.343 20 0 GIADRO CC[N@@H+]1CC[C@@H](CNC(=O)/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000058925757 823471137 /nfs/dbraw/zinc/47/11/37/823471137.db2.gz IDDYAUANNGJWMG-OOPCZODUSA-N 1 0 394.359 4.195 20 0 GIADRO [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)c1cnc2ccsc2c1 ZINC000573210533 823466031 /nfs/dbraw/zinc/46/60/31/823466031.db2.gz LVXBVQYADSCNGO-PXNSSMCTSA-N 1 0 379.529 4.109 20 0 GIADRO C[C@H](CCc1ccco1)NC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000410334223 823466149 /nfs/dbraw/zinc/46/61/49/823466149.db2.gz BWDXYQVHFDUROY-LJQANCHMSA-N 1 0 383.536 4.332 20 0 GIADRO Cc1ccc(-c2nc(CC(=O)NC[C@H](c3cccs3)[NH+](C)C)cs2)cc1 ZINC000027677422 820274091 /nfs/dbraw/zinc/27/40/91/820274091.db2.gz CLPULXHUBNFENY-QGZVFWFLSA-N 1 0 385.558 4.142 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1cccc(NC(=O)OC(C)(C)C)c1)c1cccs1 ZINC000027677464 820274195 /nfs/dbraw/zinc/27/41/95/820274195.db2.gz GHPNNEFXHMPFNC-INIZCTEOSA-N 1 0 389.521 4.128 20 0 GIADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)/C=C/c2ccccc2OC(F)(F)F)C1 ZINC000058882958 823466397 /nfs/dbraw/zinc/46/63/97/823466397.db2.gz HSCRKCSZVUBTHC-SZNIMWBJSA-N 1 0 396.453 4.462 20 0 GIADRO Cc1nc(CSc2ccccc2C(=O)N[C@H](C)C[NH+]2CCCCC2)cs1 ZINC000027760843 820283125 /nfs/dbraw/zinc/28/31/25/820283125.db2.gz REVIZXJUNTYOTN-OAHLLOKOSA-N 1 0 389.590 4.348 20 0 GIADRO CC(C)c1c(C(=O)N[C@@H](C)C[NH+]2CCCCC2)cnn1-c1cccc(Cl)c1 ZINC000027769347 820284159 /nfs/dbraw/zinc/28/41/59/820284159.db2.gz NEKQODPEKVIYPY-INIZCTEOSA-N 1 0 388.943 4.253 20 0 GIADRO O=C(NCc1noc2ccccc21)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000573217976 823467147 /nfs/dbraw/zinc/46/71/47/823467147.db2.gz WBZPNHAAMBFEHN-UHFFFAOYSA-N 1 0 392.503 4.203 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)CCc1ccccc1Br)C1CCCCC1 ZINC000058891130 823467306 /nfs/dbraw/zinc/46/73/06/823467306.db2.gz XFANQUOUWQQTCI-GOSISDBHSA-N 1 0 381.358 4.008 20 0 GIADRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)C2(Cc3ccccc3)CC2)CC1 ZINC000177458424 823467348 /nfs/dbraw/zinc/46/73/48/823467348.db2.gz ARDNIIYHUHTJJS-UHFFFAOYSA-N 1 0 376.544 4.380 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N(C)CCc2ccccc2)cc1 ZINC000410341618 823467653 /nfs/dbraw/zinc/46/76/53/823467653.db2.gz XOLHGJSZENEMGX-HXUWFJFHSA-N 1 0 379.548 4.445 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000573223518 823467787 /nfs/dbraw/zinc/46/77/87/823467787.db2.gz BEHFSAXMLMVOIK-GJZGRUSLSA-N 1 0 390.528 4.008 20 0 GIADRO C[C@H](NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)c1cccc(F)c1F ZINC000460654409 823467917 /nfs/dbraw/zinc/46/79/17/823467917.db2.gz GWJRVFHDIKGAMG-UHOSZYNNSA-N 1 0 399.485 4.189 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)NC[C@H]2CCCc3ccccc32)CC1 ZINC000410342295 823467971 /nfs/dbraw/zinc/46/79/71/823467971.db2.gz GRPDFXXFHRMNHL-OAQYLSRUSA-N 1 0 391.559 4.379 20 0 GIADRO c1ccc(COc2ccc(C[NH+]3CCC(OC[C@H]4CCCO4)CC3)cc2)cc1 ZINC000177462932 823467972 /nfs/dbraw/zinc/46/79/72/823467972.db2.gz NOKJBBQJVGLCIJ-XMMPIXPASA-N 1 0 381.516 4.426 20 0 GIADRO Cc1cccc(CSCC(=O)NC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000027927565 820297661 /nfs/dbraw/zinc/29/76/61/820297661.db2.gz XTRULSYESFHUCU-UHFFFAOYSA-N 1 0 382.573 4.052 20 0 GIADRO CO[C@@H](CNC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1ccccc1 ZINC000410354364 823471346 /nfs/dbraw/zinc/47/13/46/823471346.db2.gz PNWXZQYOPGJIBG-CVDCTZTESA-N 1 0 395.547 4.105 20 0 GIADRO Cc1ccc(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)cc1-n1cccc1 ZINC000027933022 820298789 /nfs/dbraw/zinc/29/87/89/820298789.db2.gz NZJNGSUWNKVGMF-UHFFFAOYSA-N 1 0 387.527 4.223 20 0 GIADRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000027939252 820299449 /nfs/dbraw/zinc/29/94/49/820299449.db2.gz XCPKPSHBBWMSOI-UHFFFAOYSA-N 1 0 377.315 4.430 20 0 GIADRO Cc1cc(C)c(NC(=O)[C@H](C)N2CC[NH+](CCc3ccccc3)CC2)c(Cl)c1 ZINC000027958837 820300850 /nfs/dbraw/zinc/30/08/50/820300850.db2.gz XGYWPAKRNJQVHH-IBGZPJMESA-N 1 0 399.966 4.144 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)C[N@@H+](C)C2CCCCCC2)c(C(F)(F)F)c1 ZINC000027967178 820301174 /nfs/dbraw/zinc/30/11/74/820301174.db2.gz PNYPZAZLKZGCMI-UHFFFAOYSA-N 1 0 385.430 4.257 20 0 GIADRO COc1ccc([C@@H](Cc2ccccc2)[NH2+][C@@H]2CCN(c3ncccc3F)C2)cc1 ZINC000573254802 823471466 /nfs/dbraw/zinc/47/14/66/823471466.db2.gz YMXQFOFLUVGRDL-NFBKMPQASA-N 1 0 391.490 4.382 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2cc(=O)oc3cc4c(cc23)CCC4)c1 ZINC000028336350 820326041 /nfs/dbraw/zinc/32/60/41/820326041.db2.gz VRUPJZWBVJEXFS-AWEZNQCLSA-N 1 0 376.456 4.091 20 0 GIADRO CCOc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1 ZINC000028350736 820328297 /nfs/dbraw/zinc/32/82/97/820328297.db2.gz VDRZKOOYVHSLMZ-CVEARBPZSA-N 1 0 395.503 4.112 20 0 GIADRO O=C(Nc1ccc(F)cc1)[C@H]([NH2+]CCOc1ccc(F)cc1)c1ccccc1 ZINC000028388805 820331646 /nfs/dbraw/zinc/33/16/46/820331646.db2.gz QFUCUOYMMXRMFJ-OAQYLSRUSA-N 1 0 382.410 4.313 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)N[C@H](C)Cc1cccs1)c1cccc(OC)c1 ZINC000028413896 820334602 /nfs/dbraw/zinc/33/46/02/820334602.db2.gz NEOGBDJOTSYKEV-OXQOHEQNSA-N 1 0 389.565 4.070 20 0 GIADRO COc1ccc(NC(=O)[C@H]([NH2+]CCc2cccc(F)c2)c2ccccc2)cc1 ZINC000028623038 820345910 /nfs/dbraw/zinc/34/59/10/820345910.db2.gz YCYOLLNYIBUBHB-JOCHJYFZSA-N 1 0 378.447 4.346 20 0 GIADRO CCOc1ccc(-c2nc(C(=O)N3CCC([NH+]4CCCCC4)CC3)cs2)cc1 ZINC000058935765 823472753 /nfs/dbraw/zinc/47/27/53/823472753.db2.gz JWPUYYFZLFFWQZ-UHFFFAOYSA-N 1 0 399.560 4.299 20 0 GIADRO COc1cnccc1[C@H](C)NC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000189678474 823473372 /nfs/dbraw/zinc/47/33/72/823473372.db2.gz QFQBIKCHGTVUTR-ROUUACIJSA-N 1 0 396.535 4.025 20 0 GIADRO C[N@H+](CCOc1ccccc1)CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000028852209 820363719 /nfs/dbraw/zinc/36/37/19/820363719.db2.gz NBGKXTSQJWWQMD-UHFFFAOYSA-N 1 0 388.511 4.293 20 0 GIADRO CCOC(=O)[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000028851985 820363931 /nfs/dbraw/zinc/36/39/31/820363931.db2.gz CJAQCEJMZYYPQO-GOSISDBHSA-N 1 0 396.487 4.083 20 0 GIADRO COc1ccc(Br)cc1C[N@H+](C)CCC(=O)Nc1ccccc1F ZINC000028852808 820364223 /nfs/dbraw/zinc/36/42/23/820364223.db2.gz YCHWNJICEASQCO-UHFFFAOYSA-N 1 0 395.272 4.057 20 0 GIADRO CCc1nc(C)c([C@H](C)[N@H+](C)C[C@H](O)COc2ccc(SC)cc2)s1 ZINC000411285782 823562251 /nfs/dbraw/zinc/56/22/51/823562251.db2.gz SQRWABCQJHRPDZ-GJZGRUSLSA-N 1 0 380.579 4.169 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)Nc2cnn([C@H](C)C3CC3)c2)CC1 ZINC000189680378 823474143 /nfs/dbraw/zinc/47/41/43/823474143.db2.gz JIZPFWLMXBYLFE-QGZVFWFLSA-N 1 0 375.561 4.220 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@H](O)COc2ccc(C(C)(C)C)cc2)c1 ZINC000028917981 820372394 /nfs/dbraw/zinc/37/23/94/820372394.db2.gz GBSHMYWDINXMDE-IERDGZPVSA-N 1 0 384.520 4.033 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)Cc3c[nH]c4ccccc34)cc2)C1 ZINC000058948515 823474323 /nfs/dbraw/zinc/47/43/23/823474323.db2.gz XYYOLZMXQHSCQL-SFHVURJKSA-N 1 0 375.516 4.259 20 0 GIADRO CCc1cc(C(=O)NCc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)[nH]n1 ZINC000028971314 820378876 /nfs/dbraw/zinc/37/88/76/820378876.db2.gz NYGAIRUZTCQVJW-UHFFFAOYSA-N 1 0 388.515 4.165 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)COc2ccc(F)cc2F)cc1 ZINC000058950524 823474670 /nfs/dbraw/zinc/47/46/70/823474670.db2.gz SFQRGURSDUPCTO-MRXNPFEDSA-N 1 0 388.458 4.034 20 0 GIADRO CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]CCc1nc3c(cccc3C)o1)CCC2 ZINC000410362259 823474726 /nfs/dbraw/zinc/47/47/26/823474726.db2.gz UTVMENFSUGDOAE-HNNXBMFYSA-N 1 0 382.460 4.424 20 0 GIADRO CCOc1c(Cl)cc(C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1OC ZINC000058972134 823477444 /nfs/dbraw/zinc/47/74/44/823477444.db2.gz KWQZCCXMFZRLAK-HOTGVXAUSA-N 1 0 396.959 4.235 20 0 GIADRO Cc1nc(-c2cccc(Cl)c2)sc1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000029092872 820391795 /nfs/dbraw/zinc/39/17/95/820391795.db2.gz FCYOGPQNZPCYBR-UHFFFAOYSA-N 1 0 375.925 4.129 20 0 GIADRO O=C(CSc1nc2ccccc2s1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000029093830 820392059 /nfs/dbraw/zinc/39/20/59/820392059.db2.gz FLKORAZXQLVHNC-UHFFFAOYSA-N 1 0 397.569 4.123 20 0 GIADRO Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+][C@H](C)Cn1ncc2ccccc2c1=O ZINC000573283223 823475497 /nfs/dbraw/zinc/47/54/97/823475497.db2.gz DJZIBQSZFHZXLP-OPAMFIHVSA-N 1 0 386.499 4.242 20 0 GIADRO O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000029117262 820395670 /nfs/dbraw/zinc/39/56/70/820395670.db2.gz IBZRTDCGUBCHQO-QFIPXVFZSA-N 1 0 382.479 4.025 20 0 GIADRO C[C@@H]1c2cccn2CCN1C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000410365370 823475974 /nfs/dbraw/zinc/47/59/74/823475974.db2.gz JTLYCQUBAVUWSC-RBUKOAKNSA-N 1 0 380.536 4.149 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Cc1ccc(OC(F)F)cc1)c1ccccc1 ZINC000029166703 820403420 /nfs/dbraw/zinc/40/34/20/820403420.db2.gz INRKQAVPZORSDP-LJQANCHMSA-N 1 0 376.447 4.030 20 0 GIADRO O=C(NCc1ccc(Br)cc1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177495086 823476155 /nfs/dbraw/zinc/47/61/55/823476155.db2.gz MJZFVRFDEFAKRA-UHFFFAOYSA-N 1 0 394.357 4.045 20 0 GIADRO COc1cc(C[N@H+](C)Cc2cccc(C(N)=O)c2)ccc1OCc1ccccc1 ZINC000029173498 820405361 /nfs/dbraw/zinc/40/53/61/820405361.db2.gz GFVOGLDEOSXQIN-UHFFFAOYSA-N 1 0 390.483 4.005 20 0 GIADRO O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(OC(F)(F)F)cc1 ZINC000029177470 820406097 /nfs/dbraw/zinc/40/60/97/820406097.db2.gz QNODOXIYJZSKNF-SFHVURJKSA-N 1 0 378.394 4.152 20 0 GIADRO O=C(Cc1csc(-c2cccs2)n1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000029178850 820406996 /nfs/dbraw/zinc/40/69/96/820406996.db2.gz DHMRIWWXASLZIL-GOSISDBHSA-N 1 0 397.569 4.367 20 0 GIADRO Cc1ccc(C(=O)CCC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1C ZINC000029178588 820407055 /nfs/dbraw/zinc/40/70/55/820407055.db2.gz VEXNQZUVYSXHNF-QFIPXVFZSA-N 1 0 378.516 4.220 20 0 GIADRO CC(=O)Nc1ccc2c(C[NH2+][C@H](c3ccc(F)cc3)C(C)C)cc(=O)oc2c1 ZINC000029189577 820409149 /nfs/dbraw/zinc/40/91/49/820409149.db2.gz NCCGJLFZBAUTNZ-QFIPXVFZSA-N 1 0 382.435 4.377 20 0 GIADRO COc1ccc(NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)c(OC)c1 ZINC000410367559 823476925 /nfs/dbraw/zinc/47/69/25/823476925.db2.gz KRDBOZJGZFOFQC-KRWDZBQOSA-N 1 0 397.519 4.257 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000058966475 823477071 /nfs/dbraw/zinc/47/70/71/823477071.db2.gz YOWXUQCDEZJBSX-HNNXBMFYSA-N 1 0 389.540 4.500 20 0 GIADRO COc1ncc(C[N@H+](C)CCCCCc2cc(-c3ccccc3)n[nH]2)c(C)n1 ZINC000410372568 823478880 /nfs/dbraw/zinc/47/88/80/823478880.db2.gz IGZWTNTWHJPNOA-UHFFFAOYSA-N 1 0 379.508 4.029 20 0 GIADRO COc1cnccc1[C@H](C)NC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000189700460 823479009 /nfs/dbraw/zinc/47/90/09/823479009.db2.gz YUTNLFVWYYPQNY-ROUUACIJSA-N 1 0 396.535 4.025 20 0 GIADRO CCOc1ccccc1OCC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000029341736 820440127 /nfs/dbraw/zinc/44/01/27/820440127.db2.gz UHNHFLWNTAJNFA-UHFFFAOYSA-N 1 0 396.531 4.012 20 0 GIADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)c1cc(C2CC2)nc2ccccc21 ZINC000029368170 820444956 /nfs/dbraw/zinc/44/49/56/820444956.db2.gz RLRCVUMFMSHJEL-UHFFFAOYSA-N 1 0 395.572 4.204 20 0 GIADRO O=c1cc(C[NH+]2CCC([C@H](O)c3ccccc3)CC2)c2cc3c(cc2o1)CCC3 ZINC000029476349 820460092 /nfs/dbraw/zinc/46/00/92/820460092.db2.gz SIZAGRFSPVQXMV-RUZDIDTESA-N 1 0 389.495 4.227 20 0 GIADRO Cc1cc2oc(=O)cc(C[NH+]3CCC([C@@H](O)c4ccccc4)CC3)c2cc1C ZINC000029476402 820460857 /nfs/dbraw/zinc/46/08/57/820460857.db2.gz JECZHBZMDNCMOI-DEOSSOPVSA-N 1 0 377.484 4.355 20 0 GIADRO O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000177517164 823480703 /nfs/dbraw/zinc/48/07/03/823480703.db2.gz IUHRGHBUPDWFAX-KRWDZBQOSA-N 1 0 385.508 4.068 20 0 GIADRO CCCOc1ccc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1OCCC ZINC000058999649 823480926 /nfs/dbraw/zinc/48/09/26/823480926.db2.gz SMLJQRBMWSVEGV-UHFFFAOYSA-N 1 0 376.541 4.303 20 0 GIADRO CC[C@@](C)(O)C[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccccc1 ZINC000189720204 823481802 /nfs/dbraw/zinc/48/18/02/823481802.db2.gz SFGOUWDFOJXYTG-HXUWFJFHSA-N 1 0 394.437 4.307 20 0 GIADRO Cc1noc(C)c1COc1ccccc1C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000059004479 823482010 /nfs/dbraw/zinc/48/20/10/823482010.db2.gz MWSWZKONYXSGPA-UHFFFAOYSA-N 1 0 399.535 4.063 20 0 GIADRO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N(C)Cc2ccc(SC)cc2)cc1 ZINC000029597655 820481741 /nfs/dbraw/zinc/48/17/41/820481741.db2.gz BYHPNRIYJMSZKN-OAQYLSRUSA-N 1 0 384.545 4.213 20 0 GIADRO Cc1csc(SCc2ccccc2C(=O)NC2CC[NH+](C3CC3)CC2)n1 ZINC000029609283 820483669 /nfs/dbraw/zinc/48/36/69/820483669.db2.gz HLPMKSYDTSTBRF-UHFFFAOYSA-N 1 0 387.574 4.100 20 0 GIADRO COc1ccc(CN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)C2CC2)cc1 ZINC000123232375 823482647 /nfs/dbraw/zinc/48/26/47/823482647.db2.gz NPRJXRYKLNVQQO-HSZRJFAPSA-N 1 0 393.531 4.206 20 0 GIADRO CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000029698816 820500128 /nfs/dbraw/zinc/50/01/28/820500128.db2.gz ZDAFICGSFZCOBL-BLLLJJGKSA-N 1 0 397.302 4.042 20 0 GIADRO CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000029698820 820500241 /nfs/dbraw/zinc/50/02/41/820500241.db2.gz ZDAFICGSFZCOBL-WBMJQRKESA-N 1 0 397.302 4.042 20 0 GIADRO COc1ccc([C@@H](NC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)C2CC2)cc1 ZINC000029729072 820508138 /nfs/dbraw/zinc/50/81/38/820508138.db2.gz XCHFLDWPYQUOFN-PKTZIBPZSA-N 1 0 393.531 4.283 20 0 GIADRO COc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H](C)c3cccc(Cl)c3)CC2)cc1 ZINC000460697888 823484802 /nfs/dbraw/zinc/48/48/02/823484802.db2.gz MDOOXFLKQQLNJS-KRWDZBQOSA-N 1 0 386.923 4.187 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(C)cc2OCc2ccccc2)C1 ZINC000177535452 823484985 /nfs/dbraw/zinc/48/49/85/823484985.db2.gz WMIFNDQEVFZTID-FQEVSTJZSA-N 1 0 381.520 4.380 20 0 GIADRO CC[C@H](NC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1c(C)noc1C ZINC000123251938 823485268 /nfs/dbraw/zinc/48/52/68/823485268.db2.gz MQXZUBSMHNTQSM-WMZOPIPTSA-N 1 0 390.553 4.015 20 0 GIADRO OC[C@@H]([NH2+]Cc1nc2cc(Cl)ccc2n1Cc1ccccc1)C1CCCC1 ZINC000573370103 823485443 /nfs/dbraw/zinc/48/54/43/823485443.db2.gz UFSBWIQCRIYONM-HXUWFJFHSA-N 1 0 383.923 4.379 20 0 GIADRO Cc1n[nH]c(C)c1[C@H](C)C(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000573373891 823486139 /nfs/dbraw/zinc/48/61/39/823486139.db2.gz NMKPKGLVOHZBLI-HNNXBMFYSA-N 1 0 386.565 4.347 20 0 GIADRO CC(C)N(C(=O)C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1)c1ccccc1 ZINC000029824798 820525045 /nfs/dbraw/zinc/52/50/45/820525045.db2.gz GHZBZPYNSRPLBQ-SFHVURJKSA-N 1 0 377.488 4.449 20 0 GIADRO C[C@@H](C(=O)N1CCCc2ccccc21)[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029825506 820525577 /nfs/dbraw/zinc/52/55/77/820525577.db2.gz QPFXFYGQYDPWMR-PKOBYXMFSA-N 1 0 389.499 4.375 20 0 GIADRO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029825629 820525790 /nfs/dbraw/zinc/52/57/90/820525790.db2.gz OHNPQVMJGFLMSL-LZLYRXPVSA-N 1 0 395.478 4.412 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1cccc(F)c1 ZINC000029836889 820529365 /nfs/dbraw/zinc/52/93/65/820529365.db2.gz RWMAASAPZLHFQS-GOSISDBHSA-N 1 0 378.875 4.056 20 0 GIADRO C[C@H](C1CC1)[N@H+](CC(=O)NCc1ccc(OC(F)F)cc1)Cc1ccccc1 ZINC000029843795 820531534 /nfs/dbraw/zinc/53/15/34/820531534.db2.gz JAVDWXIZAOONLK-MRXNPFEDSA-N 1 0 388.458 4.205 20 0 GIADRO Cc1ccc2cc(C[NH+]3CCC(NC(=O)Nc4ccc(F)cc4)CC3)ccc2n1 ZINC000189746858 823486967 /nfs/dbraw/zinc/48/69/67/823486967.db2.gz HSDQAVUNHBZOOH-UHFFFAOYSA-N 1 0 392.478 4.468 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(-c3nc(C(C)C)no3)cc2)C1 ZINC000177544813 823487210 /nfs/dbraw/zinc/48/72/10/823487210.db2.gz FKBBYRVSWZXCIA-INIZCTEOSA-N 1 0 385.512 4.056 20 0 GIADRO C[C@@H](NC(=O)NCc1ccc(OCC[NH+](C)C)cc1)c1cccc2ccccc21 ZINC000410401492 823487495 /nfs/dbraw/zinc/48/74/95/823487495.db2.gz XIHLGMXHXQAHDJ-GOSISDBHSA-N 1 0 391.515 4.341 20 0 GIADRO COc1ccccc1NC(=O)C1CC[NH+](CCSc2ccccc2F)CC1 ZINC000029905990 820545307 /nfs/dbraw/zinc/54/53/07/820545307.db2.gz FGGRSJNXHRRXTI-UHFFFAOYSA-N 1 0 388.508 4.277 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1c(C)onc1-c1ccccc1)Cc1ccccc1 ZINC000029916586 820547502 /nfs/dbraw/zinc/54/75/02/820547502.db2.gz KXJXOVVEXUUHHC-NRFANRHFSA-N 1 0 391.515 4.333 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](C)c1c(F)cccc1F ZINC000123280021 823489865 /nfs/dbraw/zinc/48/98/65/823489865.db2.gz XNKJQHNEHGRFME-HKUYNNGSSA-N 1 0 386.486 4.439 20 0 GIADRO CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)Cc1c[nH]c2ccccc12 ZINC000059287177 823489859 /nfs/dbraw/zinc/48/98/59/823489859.db2.gz HVLOSYONJSTUAH-QHCPKHFHSA-N 1 0 389.543 4.300 20 0 GIADRO Cc1nc(COc2cccc(C(=O)Nc3ccc(C[NH+](C)C)cc3)c2)cs1 ZINC000029952274 820555702 /nfs/dbraw/zinc/55/57/02/820555702.db2.gz DCHADNYVCUWFOO-UHFFFAOYSA-N 1 0 381.501 4.344 20 0 GIADRO COc1cccc(OC)c1OCCCC[N@@H+]1C[C@@H](c2ccccc2)OC[C@@H]1C ZINC000573402622 823488472 /nfs/dbraw/zinc/48/84/72/823488472.db2.gz HYQUSLVIQOPNQU-AVRDEDQJSA-N 1 0 385.504 4.325 20 0 GIADRO C[C@@H]1C[N@@H+](Cc2ccc(CNc3ccc(C(F)(F)F)cn3)cc2)C[C@H](C)O1 ZINC000030001677 820566076 /nfs/dbraw/zinc/56/60/76/820566076.db2.gz XCTUAMGRHUGCGA-GASCZTMLSA-N 1 0 379.426 4.322 20 0 GIADRO Cc1nc2ccccc2nc1NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000030001558 820566131 /nfs/dbraw/zinc/56/61/31/820566131.db2.gz JZDYFWYDYVEDEK-IAGOWNOFSA-N 1 0 376.504 4.160 20 0 GIADRO O=S(=O)(N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1cc(Cl)ccc1Cl ZINC000030004427 820566847 /nfs/dbraw/zinc/56/68/47/820566847.db2.gz TUPVWEHNFXBPPU-KRWDZBQOSA-N 1 0 399.343 4.109 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)c(OC)c1 ZINC000177551073 823489181 /nfs/dbraw/zinc/48/91/81/823489181.db2.gz LCBFCQGGULJBJM-OAHLLOKOSA-N 1 0 378.513 4.002 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)Cn3c(C)cc4ccccc43)c(C)c2)CC1 ZINC000030019812 820570288 /nfs/dbraw/zinc/57/02/88/820570288.db2.gz NXKMUFNTAMVAQS-UHFFFAOYSA-N 1 0 390.531 4.039 20 0 GIADRO Fc1ccc(Cn2cc(C[NH+]3CCC(OCCc4ccccc4)CC3)cn2)cc1 ZINC000189763110 823490155 /nfs/dbraw/zinc/49/01/55/823490155.db2.gz UEAWMQLRIKTOAZ-UHFFFAOYSA-N 1 0 393.506 4.294 20 0 GIADRO CC[NH+](CC)CCOc1ccc(CNC(=O)[C@@H](C)c2ccc(F)c(F)c2)cc1 ZINC000460712239 823491455 /nfs/dbraw/zinc/49/14/55/823491455.db2.gz AZGUXJUFZCXRPH-INIZCTEOSA-N 1 0 390.474 4.105 20 0 GIADRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(OC(C)C)c(OC)c2)cc1 ZINC000030492547 820622758 /nfs/dbraw/zinc/62/27/58/820622758.db2.gz LCMVDDUGPRXCHE-HOTGVXAUSA-N 1 0 386.492 4.169 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cc(F)ccc2F)ccc1OC(C)C ZINC000030492717 820623278 /nfs/dbraw/zinc/62/32/78/820623278.db2.gz IKXACKHMULYONU-UONOGXRCSA-N 1 0 392.446 4.438 20 0 GIADRO COc1ccc(C([NH2+]C[C@@H](O)c2ccccc2F)c2ccc(OC)cc2)cc1 ZINC000030536257 820634845 /nfs/dbraw/zinc/63/48/45/820634845.db2.gz VOBJLKLBSUVNLD-JOCHJYFZSA-N 1 0 381.447 4.256 20 0 GIADRO COc1cccc([C@@H](C[NH2+]Cc2sc3nc(C)nc(C)c3c2C)N(C)C)c1 ZINC000030543724 820637307 /nfs/dbraw/zinc/63/73/07/820637307.db2.gz CKACEQSWGKGLJS-GOSISDBHSA-N 1 0 384.549 4.018 20 0 GIADRO Cc1c(C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)sc2nc(C)nc(C)c12 ZINC000030545469 820637318 /nfs/dbraw/zinc/63/73/18/820637318.db2.gz CLSYRRUWDXTRHG-ZDUSSCGKSA-N 1 0 378.505 4.048 20 0 GIADRO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000177570502 823493512 /nfs/dbraw/zinc/49/35/12/823493512.db2.gz CJCFJCBUOIVGFS-QWHCGFSZSA-N 1 0 379.863 4.045 20 0 GIADRO Cc1ccc(S(=O)(=O)N2CCC([NH2+]Cc3ccc(C(C)C)cc3)CC2)cc1 ZINC000030653467 820659338 /nfs/dbraw/zinc/65/93/38/820659338.db2.gz MKCGJEHEPYRBKU-UHFFFAOYSA-N 1 0 386.561 4.061 20 0 GIADRO CC(=O)c1c(C)[nH]c(C(=O)NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)c1C ZINC000059410544 823495853 /nfs/dbraw/zinc/49/58/53/823495853.db2.gz DQQHWSJCEJJAAE-IYBDPMFKSA-N 1 0 395.547 4.242 20 0 GIADRO O=S(=O)(c1ccccc1C[NH2+]Cc1ccc2ccccc2c1)N1CCCCC1 ZINC000030660017 820659933 /nfs/dbraw/zinc/65/99/33/820659933.db2.gz RLRXLUYIULXSQW-UHFFFAOYSA-N 1 0 394.540 4.304 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 ZINC000059411709 823495925 /nfs/dbraw/zinc/49/59/25/823495925.db2.gz XMVKTSHGWIMKQX-AZUAARDMSA-N 1 0 391.515 4.053 20 0 GIADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)Cc2csc(-c3ccc(Cl)s3)n2)C1 ZINC000177584591 823496557 /nfs/dbraw/zinc/49/65/57/823496557.db2.gz ARTHNSCALFGGDV-WCQYABFASA-N 1 0 383.970 4.057 20 0 GIADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)Cc2csc(-c3ccc(Cl)s3)n2)C1 ZINC000177584604 823496647 /nfs/dbraw/zinc/49/66/47/823496647.db2.gz ARTHNSCALFGGDV-AAEUAGOBSA-N 1 0 383.970 4.057 20 0 GIADRO Cc1noc(C)c1CSc1ncccc1C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000030773761 820681097 /nfs/dbraw/zinc/68/10/97/820681097.db2.gz URRMRFOQVDXLEM-UHFFFAOYSA-N 1 0 396.516 4.293 20 0 GIADRO c1ccc(COc2ccc(C[NH+]3CCC(OC[C@H]4CCCCO4)CC3)cc2)nc1 ZINC000177609898 823500409 /nfs/dbraw/zinc/50/04/09/823500409.db2.gz BCONHPVSDSXLLT-XMMPIXPASA-N 1 0 396.531 4.211 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)cc1 ZINC000030849627 820693982 /nfs/dbraw/zinc/69/39/82/820693982.db2.gz DGQDUXCQWFCKHT-UHFFFAOYSA-N 1 0 379.479 4.347 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)c2ccc(NC(=O)[C@@H]3C[C@@H]3C)cc2)c1 ZINC000030878268 820699756 /nfs/dbraw/zinc/69/97/56/820699756.db2.gz XLUOSZIKGDKWAZ-HRAATJIYSA-N 1 0 379.504 4.375 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)c2ccc(NC(=O)[C@@H]3C[C@H]3C)cc2)c1 ZINC000030878281 820700377 /nfs/dbraw/zinc/70/03/77/820700377.db2.gz XLUOSZIKGDKWAZ-IIBYNOLFSA-N 1 0 379.504 4.375 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)c2ccc(NC(=O)[C@H]3C[C@@H]3C)cc2)c1 ZINC000030878276 820700439 /nfs/dbraw/zinc/70/04/39/820700439.db2.gz XLUOSZIKGDKWAZ-KKSFZXQISA-N 1 0 379.504 4.375 20 0 GIADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)[C@H](C)C1 ZINC000410484536 823498606 /nfs/dbraw/zinc/49/86/06/823498606.db2.gz QMYVICIVDVRERO-ADHNFCLRSA-N 1 0 386.580 4.214 20 0 GIADRO Clc1ccc(-c2ccc(C[NH2+]Cc3ccnc(N4CCOCC4)c3)o2)cc1 ZINC000030900413 820705176 /nfs/dbraw/zinc/70/51/76/820705176.db2.gz PHVYGRDDYGYANW-UHFFFAOYSA-N 1 0 383.879 4.121 20 0 GIADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)[C@@H](C)C1 ZINC000410484537 823498701 /nfs/dbraw/zinc/49/87/01/823498701.db2.gz QMYVICIVDVRERO-IZBOUPIGSA-N 1 0 386.580 4.214 20 0 GIADRO Brc1ccc(-c2ccc(CNC[C@H]3CC[N@@H+](C4CC4)C3)o2)cc1 ZINC000030907069 820706207 /nfs/dbraw/zinc/70/62/07/820706207.db2.gz QJDWTHDPDHZQET-CQSZACIVSA-N 1 0 375.310 4.283 20 0 GIADRO Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000030908820 820707127 /nfs/dbraw/zinc/70/71/27/820707127.db2.gz NRDMHLKKDSONNH-FQEVSTJZSA-N 1 0 394.906 4.493 20 0 GIADRO COc1cccc(N2CC[NH+](Cc3c(-c4ccccc4)nc4ccccn43)CC2)c1 ZINC000030963832 820712335 /nfs/dbraw/zinc/71/23/35/820712335.db2.gz VVSHUDACRCEHCX-UHFFFAOYSA-N 1 0 398.510 4.332 20 0 GIADRO COc1ccc2cc(CNC(=O)NC[C@H](c3cccs3)[NH+](C)C)ccc2c1 ZINC000030986147 820715827 /nfs/dbraw/zinc/71/58/27/820715827.db2.gz CYSYGXHDUVXUDD-LJQANCHMSA-N 1 0 383.517 4.012 20 0 GIADRO COc1ccc2cc(CNC(=O)NC[C@@H](c3cccc(F)c3)[NH+](C)C)ccc2c1 ZINC000031032839 820725555 /nfs/dbraw/zinc/72/55/55/820725555.db2.gz SRDYEKKNGUVAPT-QFIPXVFZSA-N 1 0 395.478 4.090 20 0 GIADRO O=S(=O)(/C=C/c1ccc(Cl)cc1)NCc1ccccc1C[NH+]1CCCC1 ZINC000031075425 820735075 /nfs/dbraw/zinc/73/50/75/820735075.db2.gz CSCBAFPGBSPFTC-SDNWHVSQSA-N 1 0 390.936 4.026 20 0 GIADRO COc1ccc(F)cc1C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000031079375 820736472 /nfs/dbraw/zinc/73/64/72/820736472.db2.gz WKBWSYXWWANNGN-UHFFFAOYSA-N 1 0 392.474 4.493 20 0 GIADRO O=C(NCCc1ccc2ccccc2c1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000031088656 820737427 /nfs/dbraw/zinc/73/74/27/820737427.db2.gz JMYBVFZIDCNJRR-UHFFFAOYSA-N 1 0 387.527 4.346 20 0 GIADRO Cc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)cc1 ZINC000060021234 823505019 /nfs/dbraw/zinc/50/50/19/823505019.db2.gz KKHBKZYMMNJIGC-UHFFFAOYSA-N 1 0 390.325 4.353 20 0 GIADRO O=C(N[C@@H](c1ccccc1)C1CC1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000031149059 820754144 /nfs/dbraw/zinc/75/41/44/820754144.db2.gz ZOMUZYVQRRBQFH-QHCPKHFHSA-N 1 0 377.532 4.144 20 0 GIADRO COc1ccc(C)cc1[C@@H](C)NC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000031148882 820754194 /nfs/dbraw/zinc/75/41/94/820754194.db2.gz WTVUHLFRAMCABD-LJQANCHMSA-N 1 0 395.547 4.071 20 0 GIADRO C[C@@H](NC(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1cccc(Cl)c1 ZINC000031148708 820754239 /nfs/dbraw/zinc/75/42/39/820754239.db2.gz BJWDMRBWZQFOIG-QGZVFWFLSA-N 1 0 385.939 4.407 20 0 GIADRO CC(C)Oc1cc(Br)ccc1C(=O)NCC[NH+](C(C)C)C(C)C ZINC000060030053 823505203 /nfs/dbraw/zinc/50/52/03/823505203.db2.gz BKNHWBGCRHWRAT-UHFFFAOYSA-N 1 0 385.346 4.085 20 0 GIADRO COc1ccc(OC)c([C@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC000177635183 823505364 /nfs/dbraw/zinc/50/53/64/823505364.db2.gz AMZMADVSGAFHBD-DYESRHJHSA-N 1 0 386.536 4.022 20 0 GIADRO O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+](Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000177643877 823506351 /nfs/dbraw/zinc/50/63/51/823506351.db2.gz PQXGHLGHFTUYGR-QGZVFWFLSA-N 1 0 379.435 4.331 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2c(F)ccc(SCC3CC3)c2F)[C@@H](C)C1 ZINC000410513450 823500899 /nfs/dbraw/zinc/50/08/99/823500899.db2.gz MHBQXAIPZAHMKQ-BBRMVZONSA-N 1 0 382.520 4.269 20 0 GIADRO CCOc1ccc(OCC(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000031200588 820767647 /nfs/dbraw/zinc/76/76/47/820767647.db2.gz TXCVWDKCNXQZSJ-UHFFFAOYSA-N 1 0 396.531 4.012 20 0 GIADRO COc1ccc2cc(C(=O)NC[C@H](c3cccs3)[NH+]3CCC(C)CC3)[nH]c2c1 ZINC000031209171 820769572 /nfs/dbraw/zinc/76/95/72/820769572.db2.gz GOIPDWYQWMOGOT-HXUWFJFHSA-N 1 0 397.544 4.441 20 0 GIADRO CC(C)CC(=O)Nc1ccc(C(=O)NCCCC[NH+]2CCC(C)CC2)cc1F ZINC000460742386 823501973 /nfs/dbraw/zinc/50/19/73/823501973.db2.gz XGXCRYILLONDDI-UHFFFAOYSA-N 1 0 391.531 4.052 20 0 GIADRO C[NH+](C)C1(CNC(=O)c2cc(NC(=O)CC(C)(C)C)ccc2Cl)CCCC1 ZINC000460745195 823502675 /nfs/dbraw/zinc/50/26/75/823502675.db2.gz ZMQNLMDNZGWJLZ-UHFFFAOYSA-N 1 0 393.959 4.319 20 0 GIADRO COc1ccc2cc([C@H](C)C(=O)N3CCC([NH+]4CCCCC4)CC3)ccc2c1 ZINC000059923528 823502923 /nfs/dbraw/zinc/50/29/23/823502923.db2.gz KEXCFUVLGHALFN-SFHVURJKSA-N 1 0 380.532 4.429 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@H](C)c1noc(-c2ccccc2)n1)CC3 ZINC000123381173 823503498 /nfs/dbraw/zinc/50/34/98/823503498.db2.gz FUWIMYVBZIVDGH-ZBFHGGJFSA-N 1 0 388.471 4.435 20 0 GIADRO COC(=O)c1ccc(C[NH+](Cc2ccc(C(=O)OC)o2)[C@H]2CCC[C@H](C)C2)o1 ZINC000031471832 820815412 /nfs/dbraw/zinc/81/54/12/820815412.db2.gz LBKVEXASEUTNHV-GJZGRUSLSA-N 1 0 389.448 4.027 20 0 GIADRO CC[C@H](NC(=O)N1CCC[N@H+](CC2CCCCC2)CC1)c1c(C)noc1C ZINC000123415634 823507204 /nfs/dbraw/zinc/50/72/04/823507204.db2.gz RJBUHHXPMBLOAX-IBGZPJMESA-N 1 0 376.545 4.040 20 0 GIADRO Cc1oc(-c2cccs2)nc1CC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000031543821 820823336 /nfs/dbraw/zinc/82/33/36/820823336.db2.gz NGUWTJYILXOHOB-SFHVURJKSA-N 1 0 395.528 4.035 20 0 GIADRO O=C(Cc1csc(-c2ccccc2)n1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000031566752 820826996 /nfs/dbraw/zinc/82/69/96/820826996.db2.gz IENZWOMGWBMRMC-HXUWFJFHSA-N 1 0 391.540 4.133 20 0 GIADRO CC(=O)c1ccc(NC(=O)NC[C@@H](C(C)C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000031660889 820840442 /nfs/dbraw/zinc/84/04/42/820840442.db2.gz PNZOUEUSLYDIER-QFIPXVFZSA-N 1 0 379.504 4.094 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)NCCc1cc(Cl)cc(Cl)c1)c1cccs1 ZINC000060127595 823509392 /nfs/dbraw/zinc/50/93/92/823509392.db2.gz OOBGGWHOUZTOFY-OAHLLOKOSA-N 1 0 386.348 4.200 20 0 GIADRO COc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@@H](C)C[C@@H](C)O)cc1 ZINC000123450957 823510070 /nfs/dbraw/zinc/51/00/70/823510070.db2.gz SMBDFMFRCUIWJE-RBUKOAKNSA-N 1 0 393.531 4.104 20 0 GIADRO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1csc(-c2ccccc2)n1 ZINC000060159582 823510410 /nfs/dbraw/zinc/51/04/10/823510410.db2.gz JDDRBBOUHIPPPL-LJQANCHMSA-N 1 0 391.540 4.452 20 0 GIADRO C[C@H](Oc1cccc(Cl)c1)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000060159612 823510473 /nfs/dbraw/zinc/51/04/73/823510473.db2.gz YYKIVSOYGOFDAP-PKOBYXMFSA-N 1 0 386.923 4.136 20 0 GIADRO CC[NH+](CC)CCCCNC(=O)Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000031868279 820868411 /nfs/dbraw/zinc/86/84/11/820868411.db2.gz VLIDNEODBBZYIJ-UHFFFAOYSA-N 1 0 379.957 4.244 20 0 GIADRO c1coc(C[N@H+](Cc2ccc(OCc3ccccn3)cc2)C[C@H]2CCCO2)c1 ZINC000060168252 823511025 /nfs/dbraw/zinc/51/10/25/823511025.db2.gz NRZHBLQABZQCOZ-HSZRJFAPSA-N 1 0 378.472 4.435 20 0 GIADRO Cc1c2cc(Cl)ccc2oc1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000031962834 820880637 /nfs/dbraw/zinc/88/06/37/820880637.db2.gz QONXAGWGUAEOJW-UHFFFAOYSA-N 1 0 392.952 4.486 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1cccc(Nc2ncccn2)c1)c1ccsc1 ZINC000031984078 820883820 /nfs/dbraw/zinc/88/38/20/820883820.db2.gz MRKUYAFWIPYLQD-LJQANCHMSA-N 1 0 395.532 4.095 20 0 GIADRO CCc1c(C(=O)NC[C@@H](c2ccsc2)[NH+](CC)CC)cnn1-c1ccccc1 ZINC000031983881 820883844 /nfs/dbraw/zinc/88/38/44/820883844.db2.gz HPQDTWZOFXKPBF-NRFANRHFSA-N 1 0 396.560 4.309 20 0 GIADRO COc1ccc([C@H](CNC(=O)c2nccc3ccccc32)[NH+]2CCCCC2)cc1 ZINC000060200867 823511534 /nfs/dbraw/zinc/51/15/34/823511534.db2.gz MABVGUUMKRJQHY-QFIPXVFZSA-N 1 0 389.499 4.200 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)C(C)(C)Oc1ccc(F)cc1)c1ccsc1 ZINC000031987094 820885151 /nfs/dbraw/zinc/88/51/51/820885151.db2.gz QXFSFSXSOMAPEA-SFHVURJKSA-N 1 0 378.513 4.244 20 0 GIADRO C[C@@H](NC(=O)CN1CCC([NH+]2CCCCC2)CC1)c1ccc(Cl)cc1Cl ZINC000060198310 823511598 /nfs/dbraw/zinc/51/15/98/823511598.db2.gz QHIAAHDFGMNRIQ-OAHLLOKOSA-N 1 0 398.378 4.121 20 0 GIADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)C1 ZINC000060207325 823511740 /nfs/dbraw/zinc/51/17/40/823511740.db2.gz GJKSUENNSBKBII-KRWDZBQOSA-N 1 0 398.934 4.421 20 0 GIADRO COc1ccc(Cl)cc1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1C ZINC000060221896 823512822 /nfs/dbraw/zinc/51/28/22/823512822.db2.gz SIZNCBFRJPTOOJ-UHFFFAOYSA-N 1 0 390.936 4.458 20 0 GIADRO Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000189962945 823518394 /nfs/dbraw/zinc/51/83/94/823518394.db2.gz BSVLNPVDWKIRHI-CRAIPNDOSA-N 1 0 382.335 4.187 20 0 GIADRO Oc1ccc(Br)cc1/C=N/C1CC[NH+](CCc2ccccc2)CC1 ZINC000032069674 820893371 /nfs/dbraw/zinc/89/33/71/820893371.db2.gz JHFUDHXYDAYEIG-PXLXIMEGSA-N 1 0 387.321 4.281 20 0 GIADRO C[C@H](Oc1cccc(Cl)c1)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000060244133 823513109 /nfs/dbraw/zinc/51/31/09/823513109.db2.gz PVOKFZAEJYXVIH-HOTGVXAUSA-N 1 0 392.952 4.197 20 0 GIADRO Cc1cc(C(=O)NCC2([NH+](C)C)CCCCCC2)ccc1NC(=O)CC(C)C ZINC000460792654 823513881 /nfs/dbraw/zinc/51/38/81/823513881.db2.gz MMNBZIRSSMGPSW-UHFFFAOYSA-N 1 0 387.568 4.364 20 0 GIADRO COc1cc(C(=O)NCC[NH+](C(C)C)C(C)C)cc(Cl)c1OCC(C)C ZINC000032244156 820904194 /nfs/dbraw/zinc/90/41/94/820904194.db2.gz YZMJNNMCTFNPOD-UHFFFAOYSA-N 1 0 384.948 4.232 20 0 GIADRO CC1CC[NH+](Cc2cccc(CNC(=O)C3(c4ccc(F)cc4)CC3)c2)CC1 ZINC000060348324 823517823 /nfs/dbraw/zinc/51/78/23/823517823.db2.gz HZQNQJPIGFASTC-UHFFFAOYSA-N 1 0 380.507 4.406 20 0 GIADRO CC1CC[NH+](C[C@H]2CCCN(C(=O)CCOc3cccc(Cl)c3)C2)CC1 ZINC000060275729 823514246 /nfs/dbraw/zinc/51/42/46/823514246.db2.gz PAZAEGWTZXQQSY-GOSISDBHSA-N 1 0 378.944 4.079 20 0 GIADRO CCc1ccc([C@@H](CNC(=O)c2ncoc2-c2ccc(C)cc2)[NH+](C)C)cc1 ZINC000460795659 823514631 /nfs/dbraw/zinc/51/46/31/823514631.db2.gz ZOGVPOMLYKZSMH-HXUWFJFHSA-N 1 0 377.488 4.245 20 0 GIADRO CCCc1cccc(C(C)C)c1NC(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000189957115 823517953 /nfs/dbraw/zinc/51/79/53/823517953.db2.gz SXWPWVOVVRRYNY-OAQYLSRUSA-N 1 0 388.600 4.156 20 0 GIADRO Cc1ccc(-c2ocnc2C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000460796529 823514969 /nfs/dbraw/zinc/51/49/69/823514969.db2.gz VKSKITMHPBXAFL-UHFFFAOYSA-N 1 0 375.472 4.176 20 0 GIADRO C[NH+](C)C1CCN(C(=O)Nc2ccccc2Oc2cc(F)cc(F)c2)CC1 ZINC000177704448 823514966 /nfs/dbraw/zinc/51/49/66/823514966.db2.gz KWCFZBKYCLOAAQ-UHFFFAOYSA-N 1 0 375.419 4.315 20 0 GIADRO CC1CC[NH+](C[C@H]2CCCN(C(=O)Nc3cccc(C(F)(F)F)n3)C2)CC1 ZINC000123503406 823515343 /nfs/dbraw/zinc/51/53/43/823515343.db2.gz IBSWJQCNEPOJIK-OAHLLOKOSA-N 1 0 384.446 4.076 20 0 GIADRO COc1ccc(C[NH2+][C@@H]2COc3ccc(C)cc32)cc1OCc1cccnc1 ZINC000123504135 823515377 /nfs/dbraw/zinc/51/53/77/823515377.db2.gz KYBYZABZYOICFG-HXUWFJFHSA-N 1 0 376.456 4.201 20 0 GIADRO Cc1cc(C)n(-c2ccccc2C[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)n1 ZINC000123504141 823515401 /nfs/dbraw/zinc/51/54/01/823515401.db2.gz HZMVHHGIDCUZBW-GOSISDBHSA-N 1 0 390.487 4.297 20 0 GIADRO CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000177711071 823515545 /nfs/dbraw/zinc/51/55/45/823515545.db2.gz JBUQCJGVRJSVPO-GCJKJVERSA-N 1 0 394.563 4.374 20 0 GIADRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1cc(C2CC2)nc2ccccc21 ZINC000032400060 820933877 /nfs/dbraw/zinc/93/38/77/820933877.db2.gz WVSXNJFKVFNIBW-UHFFFAOYSA-N 1 0 385.511 4.290 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1ccc(Cl)c2cccnc12 ZINC000032464833 820950835 /nfs/dbraw/zinc/95/08/35/820950835.db2.gz WBIQOFAIVWJOTC-UHFFFAOYSA-N 1 0 379.891 4.414 20 0 GIADRO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]C[C@H](C)c1cccc(Br)c1 ZINC000190434376 823573256 /nfs/dbraw/zinc/57/32/56/823573256.db2.gz XCKZRRGGXZUCPN-WBAXXEDZSA-N 1 0 392.341 4.279 20 0 GIADRO CO[C@]1(C[NH2+][C@@H](c2cccc(F)c2)c2cccc(Br)c2)CCOC1 ZINC000461087268 823574008 /nfs/dbraw/zinc/57/40/08/823574008.db2.gz MOECDGUAYAYMOD-MOPGFXCFSA-N 1 0 394.284 4.073 20 0 GIADRO C[C@@H](CNC(=O)c1cc(-c2cccnc2)nc2ccccc21)[N@@H+]1CCCC[C@H]1C ZINC000032732314 820999358 /nfs/dbraw/zinc/99/93/58/820999358.db2.gz XXTWRDKYWHIBEQ-MSOLQXFVSA-N 1 0 388.515 4.290 20 0 GIADRO CCCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000189978131 823520566 /nfs/dbraw/zinc/52/05/66/823520566.db2.gz RLYMZNNVWHZTBE-IBGZPJMESA-N 1 0 387.568 4.339 20 0 GIADRO CCc1ccc(C(=O)CCC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000032761347 821004007 /nfs/dbraw/zinc/00/40/07/821004007.db2.gz KWPBWHOFXYOXCW-LJQANCHMSA-N 1 0 384.545 4.227 20 0 GIADRO COc1ccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c2ccccc12 ZINC000032761973 821004519 /nfs/dbraw/zinc/00/45/19/821004519.db2.gz CWJPMZJNXFMBCI-LJQANCHMSA-N 1 0 380.513 4.477 20 0 GIADRO CC(C)c1c(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cnn1-c1cccc(Cl)c1 ZINC000123557468 823521016 /nfs/dbraw/zinc/52/10/16/823521016.db2.gz ZXBLGLPYEZSMHC-DOTOQJQBSA-N 1 0 388.943 4.204 20 0 GIADRO Cc1ccc(-c2nc(C(=O)N3CCC[N@H+](Cc4ccccc4)CC3)cs2)o1 ZINC000032833532 821011956 /nfs/dbraw/zinc/01/19/56/821011956.db2.gz YIYHLFAFQKXNAO-UHFFFAOYSA-N 1 0 381.501 4.060 20 0 GIADRO C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000032896945 821018112 /nfs/dbraw/zinc/01/81/12/821018112.db2.gz JNVFLVLUYVQZLE-SFHVURJKSA-N 1 0 395.547 4.142 20 0 GIADRO O=C(CC[N@H+](CCc1ccccn1)Cc1ccc(F)cc1)Nc1ccc(F)cc1 ZINC000060381415 823522004 /nfs/dbraw/zinc/52/20/04/823522004.db2.gz IZAJONCPYNKTRJ-UHFFFAOYSA-N 1 0 395.453 4.433 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)c1ccccc1OC(F)(F)F ZINC000177771910 823523929 /nfs/dbraw/zinc/52/39/29/823523929.db2.gz RACWWUFOOKTAAX-CQSZACIVSA-N 1 0 376.382 4.076 20 0 GIADRO Cc1cc(C)n(-c2ccccc2C[NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)n1 ZINC000123565867 823522056 /nfs/dbraw/zinc/52/20/56/823522056.db2.gz UUBDXESWCMNYOJ-LJQANCHMSA-N 1 0 388.515 4.467 20 0 GIADRO Brc1ccc(-c2noc([C@@H]3CCC[N@H+](Cc4ccccc4)C3)n2)nc1 ZINC000460822456 823522195 /nfs/dbraw/zinc/52/21/95/823522195.db2.gz LTZSFXWCFRESMJ-OAHLLOKOSA-N 1 0 399.292 4.274 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)[C@@H](C)Sc2ccc(Br)cc2)CC1 ZINC000060404030 823524008 /nfs/dbraw/zinc/52/40/08/823524008.db2.gz JAQGVJULOFDGIR-CQSZACIVSA-N 1 0 399.398 4.263 20 0 GIADRO Cc1c([C@@H](C)[NH2+]CC(=O)NC(C)(C)C)cnn1-c1ccc(Cl)cc1Cl ZINC000177764446 823522625 /nfs/dbraw/zinc/52/26/25/823522625.db2.gz UICRNUIDVYRRDY-LLVKDONJSA-N 1 0 383.323 4.053 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)c2cc(-c3ccccn3)nc3ccccc32)c1 ZINC000033083794 821031459 /nfs/dbraw/zinc/03/14/59/821031459.db2.gz SRRJCYPTBUWRNF-UHFFFAOYSA-N 1 0 396.494 4.288 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)c1 ZINC000033085371 821032079 /nfs/dbraw/zinc/03/20/79/821032079.db2.gz MMKBNPGJYHMJHJ-UHFFFAOYSA-N 1 0 397.906 4.306 20 0 GIADRO COc1ccc(C[NH+](C)C)cc1NC(=O)c1sc(-c2ccc(C)o2)nc1C ZINC000033176905 821043426 /nfs/dbraw/zinc/04/34/26/821043426.db2.gz LKXUMSJXNSPJOO-UHFFFAOYSA-N 1 0 385.489 4.342 20 0 GIADRO CC[C@@H](NC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1c(C)noc1C ZINC000123630874 823527709 /nfs/dbraw/zinc/52/77/09/823527709.db2.gz VBRDOUZSKJBHPS-WOJBJXKFSA-N 1 0 384.524 4.049 20 0 GIADRO CCS[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000190025149 823527736 /nfs/dbraw/zinc/52/77/36/823527736.db2.gz VMHNAOKWMIZWAA-RTBURBONSA-N 1 0 386.565 4.082 20 0 GIADRO CCS[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000190025164 823527748 /nfs/dbraw/zinc/52/77/48/823527748.db2.gz VMHNAOKWMIZWAA-MOPGFXCFSA-N 1 0 386.565 4.082 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1cnccc1C)c1ccc(C(F)(F)F)cc1 ZINC000460851148 823528329 /nfs/dbraw/zinc/52/83/29/823528329.db2.gz AWARNZMOQISTIE-GOSISDBHSA-N 1 0 379.426 4.222 20 0 GIADRO O=C(Nc1ccc(C(F)(F)F)cc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000034929618 821063443 /nfs/dbraw/zinc/06/34/43/821063443.db2.gz PDGKPJRFDTWHBB-UHFFFAOYSA-N 1 0 377.410 4.492 20 0 GIADRO CC1CC[NH+]([C@H](CNC(=O)CCC(=O)c2cccs2)c2cccs2)CC1 ZINC000036310308 821071104 /nfs/dbraw/zinc/07/11/04/821071104.db2.gz DBECMGNGEJKUAM-MRXNPFEDSA-N 1 0 390.574 4.362 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)CSc2ccc(Br)cc2C)CC1 ZINC000060404861 823524284 /nfs/dbraw/zinc/52/42/84/823524284.db2.gz NKXNJLKGZQCNEG-UHFFFAOYSA-N 1 0 399.398 4.182 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)c2ccc(OCCC(C)C)c(OC)c2)CC1 ZINC000060404837 823524301 /nfs/dbraw/zinc/52/43/01/823524301.db2.gz GUPUVEMZFPSCCA-UHFFFAOYSA-N 1 0 376.541 4.067 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(OC(F)F)c(OC)c1)c1ccccc1 ZINC000036703178 821077608 /nfs/dbraw/zinc/07/76/08/821077608.db2.gz BIKKMITYGDZWAT-KRWDZBQOSA-N 1 0 392.446 4.110 20 0 GIADRO CCOC1CC(CCNC(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)C1 ZINC000190003804 823524400 /nfs/dbraw/zinc/52/44/00/823524400.db2.gz MVAHOJGRDLLCIC-OSFYOIPJSA-N 1 0 387.568 4.065 20 0 GIADRO CCOCCC[N@@H+]1CC[C@@H](NCc2ccccc2Oc2cccnc2)[C@H](C)C1 ZINC000190008091 823524908 /nfs/dbraw/zinc/52/49/08/823524908.db2.gz XOIOQFFAFMQCEZ-DENIHFKCSA-N 1 0 383.536 4.101 20 0 GIADRO CCc1ccc(C(=O)CCC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000036883687 821089071 /nfs/dbraw/zinc/08/90/71/821089071.db2.gz VWKUKYZVHUROES-QFIPXVFZSA-N 1 0 378.516 4.165 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)c1ccccc1C(F)(F)F)c1ccc(-n2cccn2)cc1 ZINC000177779665 823525241 /nfs/dbraw/zinc/52/52/41/823525241.db2.gz AXKCQWVLOQDVQJ-AUUYWEPGSA-N 1 0 375.394 4.275 20 0 GIADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CC[C@@H](C)c1ccccc1 ZINC000123658946 823529720 /nfs/dbraw/zinc/52/97/20/823529720.db2.gz JQHKFVZQAGUXRC-LJQANCHMSA-N 1 0 395.547 4.360 20 0 GIADRO O=c1cc(C[N@@H+]2CCC[C@H](c3nc4ccccc4s3)C2)c2ccc(O)cc2o1 ZINC000038658343 821098932 /nfs/dbraw/zinc/09/89/32/821098932.db2.gz OOLGVPYRAFWNAH-AWEZNQCLSA-N 1 0 392.480 4.488 20 0 GIADRO CCc1cccc(CC)c1NC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000123616385 823526284 /nfs/dbraw/zinc/52/62/84/823526284.db2.gz ZLRNWYXAVJCGPU-UHFFFAOYSA-N 1 0 394.563 4.145 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(Sc2ncccn2)cc1C ZINC000177821088 823530864 /nfs/dbraw/zinc/53/08/64/823530864.db2.gz LDFAOJFKQBNIAT-SJORKVTESA-N 1 0 397.548 4.027 20 0 GIADRO CC[N@H+](Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F)C1CCCCC1 ZINC000060467639 823531495 /nfs/dbraw/zinc/53/14/95/823531495.db2.gz HKBNOGDHGRAVIL-UHFFFAOYSA-N 1 0 387.837 4.489 20 0 GIADRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cn(C(C)(C)C)nc1-c1ccc(F)cc1F ZINC000460865610 823532035 /nfs/dbraw/zinc/53/20/35/823532035.db2.gz PYVYELYHVXHSNR-CQSZACIVSA-N 1 0 392.494 4.043 20 0 GIADRO Brc1ccc(-c2ccc(C[NH2+]CCCOC[C@H]3CCOC3)o2)cc1 ZINC000123696160 823532633 /nfs/dbraw/zinc/53/26/33/823532633.db2.gz MLHKSRKILSZKFR-OAHLLOKOSA-N 1 0 394.309 4.242 20 0 GIADRO CCCc1cc(NCC[C@](O)(c2nccn2C)C(F)(F)F)c2ccccc2[nH+]1 ZINC000123697107 823532760 /nfs/dbraw/zinc/53/27/60/823532760.db2.gz LTWMEBSVHWIOKN-IBGZPJMESA-N 1 0 392.425 4.173 20 0 GIADRO CCOc1ccc(CC(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)cc1 ZINC000040615920 821162238 /nfs/dbraw/zinc/16/22/38/821162238.db2.gz PGKLUWZMRVQPEU-HSZRJFAPSA-N 1 0 380.532 4.217 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)c1ccc(F)c(F)c1F)[NH+]1CCCCC1 ZINC000040615286 821162471 /nfs/dbraw/zinc/16/24/71/821162471.db2.gz GAOBUXOUMKASRL-KRWDZBQOSA-N 1 0 392.421 4.070 20 0 GIADRO O=C(CC[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1)Nc1ccccc1F ZINC000060482405 823533024 /nfs/dbraw/zinc/53/30/24/823533024.db2.gz BKTGPRVDLPQOLF-UHFFFAOYSA-N 1 0 388.870 4.403 20 0 GIADRO COc1ccc([C@@H](C)CC(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1 ZINC000040654386 821163207 /nfs/dbraw/zinc/16/32/07/821163207.db2.gz AXEBQKGJHZMETD-CVDCTZTESA-N 1 0 380.532 4.451 20 0 GIADRO COc1ccc(C(=O)CCCC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000040653916 821163528 /nfs/dbraw/zinc/16/35/28/821163528.db2.gz DUMWFFSWWVCLFP-JOCHJYFZSA-N 1 0 394.515 4.002 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)CCc1ncc(-c2ccc(C)cc2)o1)c1ccco1 ZINC000041021146 821168225 /nfs/dbraw/zinc/16/82/25/821168225.db2.gz OCTSDEBXYKUUPQ-IBGZPJMESA-N 1 0 395.503 4.375 20 0 GIADRO C[C@H](NC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1)c1nc2ccccc2[nH]1 ZINC000177835688 823533764 /nfs/dbraw/zinc/53/37/64/823533764.db2.gz AQKWIWOZGSHSSV-MSOLQXFVSA-N 1 0 397.567 4.310 20 0 GIADRO C[N@H+](CC[C@H]1CCCO1)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC000190073249 823534027 /nfs/dbraw/zinc/53/40/27/823534027.db2.gz PBLDHKQCVSDGOW-SJORKVTESA-N 1 0 398.341 4.008 20 0 GIADRO COc1ccc([C@H](CNC(=O)c2cc3cc(C)ccc3o2)[NH+]2CCCC2)cc1 ZINC000041308908 821181433 /nfs/dbraw/zinc/18/14/33/821181433.db2.gz IKVOQGPMFYSJTI-FQEVSTJZSA-N 1 0 378.472 4.317 20 0 GIADRO O=C(Cc1c[nH]c2ccccc12)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000041400522 821188946 /nfs/dbraw/zinc/18/89/46/821188946.db2.gz XZWJVTYNRFGHJN-NRFANRHFSA-N 1 0 381.907 4.317 20 0 GIADRO CCN(Cc1ccccc1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)C(C)=O ZINC000041479774 821196747 /nfs/dbraw/zinc/19/67/47/821196747.db2.gz VFKQOYAABKXVKA-UHFFFAOYSA-N 1 0 393.531 4.293 20 0 GIADRO C[C@@H]([NH2+]C1CCN(C(=O)c2ccccc2)CC1)c1ccc(Br)s1 ZINC000177853517 823536583 /nfs/dbraw/zinc/53/65/83/823536583.db2.gz LVLRYGRWUPJHPX-CYBMUJFWSA-N 1 0 393.350 4.466 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)[NH2+]C2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000177855478 823536741 /nfs/dbraw/zinc/53/67/41/823536741.db2.gz TXFXOYANTOVRJT-SFHVURJKSA-N 1 0 388.515 4.136 20 0 GIADRO C[C@@H]([NH2+]C[C@@H]1CCCOC1)c1ccc(Br)cc1Br ZINC000041660272 821215638 /nfs/dbraw/zinc/21/56/38/821215638.db2.gz PECPTLDDTMAXOT-MNOVXSKESA-N 1 0 377.120 4.289 20 0 GIADRO CC(=O)Nc1ccc(NC(=S)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000041728790 821219940 /nfs/dbraw/zinc/21/99/40/821219940.db2.gz PJRDWKGNMKNENG-UHFFFAOYSA-N 1 0 396.560 4.118 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+]C2CCN(C(=O)c3ccccc3)CC2)cc1OCC ZINC000177858433 823537347 /nfs/dbraw/zinc/53/73/47/823537347.db2.gz AMBRVWIRYVEPGX-SFHVURJKSA-N 1 0 396.531 4.439 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)C1 ZINC000177858034 823537368 /nfs/dbraw/zinc/53/73/68/823537368.db2.gz NAURYGBXXNNMJO-UWJYYQICSA-N 1 0 385.939 4.413 20 0 GIADRO Cc1cc(CSc2ccccc2C(=O)NCC[NH+](C(C)C)C(C)C)on1 ZINC000041790423 821230362 /nfs/dbraw/zinc/23/03/62/821230362.db2.gz CHVGFUASTYGSCE-UHFFFAOYSA-N 1 0 375.538 4.124 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(Cl)s1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000177862433 823537961 /nfs/dbraw/zinc/53/79/61/823537961.db2.gz ANUBADCDGSUIRD-CQSZACIVSA-N 1 0 398.981 4.427 20 0 GIADRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000041840327 821235968 /nfs/dbraw/zinc/23/59/68/821235968.db2.gz YJINJJJEXJLTLB-KRWDZBQOSA-N 1 0 376.460 4.022 20 0 GIADRO CC[C@@H](C)NC(=O)CC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1C ZINC000060526714 823538538 /nfs/dbraw/zinc/53/85/38/823538538.db2.gz KHJVTLNSFUCSHV-LJQANCHMSA-N 1 0 390.531 4.242 20 0 GIADRO Cc1cc(N2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)c2ccccc2[nH+]1 ZINC000041873254 821241459 /nfs/dbraw/zinc/24/14/59/821241459.db2.gz MGTHEFKAIGPYLG-UHFFFAOYSA-N 1 0 389.543 4.408 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCN(C(=O)C2CCCCC2)C1)c1ccc(Br)s1 ZINC000123790631 823541126 /nfs/dbraw/zinc/54/11/26/823541126.db2.gz KLRAGRYPPUGUBK-OCCSQVGLSA-N 1 0 385.371 4.342 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)N(C)Cc2cccc(OC(C)C)c2)c1 ZINC000123765134 823538643 /nfs/dbraw/zinc/53/86/43/823538643.db2.gz WSOYMOONXYGHFY-UHFFFAOYSA-N 1 0 383.536 4.267 20 0 GIADRO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3ccc(OCc4ccccc4)cc3)CC[C@@H]21 ZINC000177867111 823538698 /nfs/dbraw/zinc/53/86/98/823538698.db2.gz LJKWRPHNWAMOCQ-UGKGYDQZSA-N 1 0 379.504 4.214 20 0 GIADRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(NC(=O)CC(C)C)c(F)c1 ZINC000460902348 823538852 /nfs/dbraw/zinc/53/88/52/823538852.db2.gz FGKMAWZCGCWKDG-SFHVURJKSA-N 1 0 391.531 4.195 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(C)C)C1 ZINC000177869836 823538951 /nfs/dbraw/zinc/53/89/51/823538951.db2.gz HGANTADBRIIGRP-CRAIPNDOSA-N 1 0 385.474 4.386 20 0 GIADRO CCOc1ccccc1NC(=O)CC[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000177872241 823539303 /nfs/dbraw/zinc/53/93/03/823539303.db2.gz XNOMRBBUCNLSBL-UHFFFAOYSA-N 1 0 380.488 4.009 20 0 GIADRO CC[C@H](NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1c(C)noc1C ZINC000123777510 823539860 /nfs/dbraw/zinc/53/98/60/823539860.db2.gz ZUNXQXSGDRQEST-CZAAIQMYSA-N 1 0 398.551 4.437 20 0 GIADRO Cc1cc(C)c(NC(=O)CNC(=O)C[NH2+][C@H](CC(C)C)c2ccccc2)c(C)c1 ZINC000123777549 823539877 /nfs/dbraw/zinc/53/98/77/823539877.db2.gz GYGCCFAXBNLJFF-OAQYLSRUSA-N 1 0 395.547 4.044 20 0 GIADRO COc1ccccc1NC(=O)C1CCN(c2cc(C)[nH+]c3ccccc32)CC1 ZINC000042099756 821265570 /nfs/dbraw/zinc/26/55/70/821265570.db2.gz OKGHWEGDGIBBNU-UHFFFAOYSA-N 1 0 375.472 4.407 20 0 GIADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1ccc(SC2CCCC2)cc1 ZINC000190120356 823540056 /nfs/dbraw/zinc/54/00/56/823540056.db2.gz BHWRDFXTIHFKFM-MRXNPFEDSA-N 1 0 391.581 4.030 20 0 GIADRO CCN(C(=O)c1ccc(OC)c(OC)c1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000060543873 823540408 /nfs/dbraw/zinc/54/04/08/823540408.db2.gz VSWUFCSRVQNKBW-FXAWDEMLSA-N 1 0 382.504 4.001 20 0 GIADRO CCN(C(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1)c1ccccc1 ZINC000042132456 821271795 /nfs/dbraw/zinc/27/17/95/821271795.db2.gz FPKQTGPKKOPWTA-MSOLQXFVSA-N 1 0 377.488 4.449 20 0 GIADRO Cc1ccccc1CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000042132583 821272255 /nfs/dbraw/zinc/27/22/55/821272255.db2.gz ILKYEOPEWDCAPN-ICSRJNTNSA-N 1 0 391.515 4.063 20 0 GIADRO CC(C)N(C)C(=O)C1CC[NH+](Cc2cc(-c3ccc(Cl)cc3)no2)CC1 ZINC000042148063 821274536 /nfs/dbraw/zinc/27/45/36/821274536.db2.gz NQHJVNZIFQIDGM-UHFFFAOYSA-N 1 0 375.900 4.074 20 0 GIADRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(OCc2ccccn2)cc1 ZINC000460911241 823540754 /nfs/dbraw/zinc/54/07/54/823540754.db2.gz QSQHKKWBJKXPHE-OAQYLSRUSA-N 1 0 381.520 4.045 20 0 GIADRO COc1ccc(C)cc1C[NH2+]Cc1ccc(OCc2ccncc2)c(OC)c1 ZINC000042201617 821283024 /nfs/dbraw/zinc/28/30/24/821283024.db2.gz AXXGOTPREZJPNW-UHFFFAOYSA-N 1 0 378.472 4.276 20 0 GIADRO COc1ccc(C[NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)cn1 ZINC000042202901 821283531 /nfs/dbraw/zinc/28/35/31/821283531.db2.gz XEXPAYJKUKFNDT-UHFFFAOYSA-N 1 0 381.863 4.286 20 0 GIADRO COc1cc(C[NH2+][C@H](C)c2ccc3c(c2)OCO3)ccc1OCc1ccncc1 ZINC000042202986 821283607 /nfs/dbraw/zinc/28/36/07/821283607.db2.gz GARKCGLNCDLJAL-MRXNPFEDSA-N 1 0 392.455 4.249 20 0 GIADRO CC(C)C[NH+]1CCC(NCc2cn(-c3ccccc3)nc2-c2ccncc2)CC1 ZINC000042207489 821284225 /nfs/dbraw/zinc/28/42/25/821284225.db2.gz GXBPUZQJHDJJAC-UHFFFAOYSA-N 1 0 389.547 4.144 20 0 GIADRO O=C(C1CC1)N1CCC([NH2+]Cc2cccc(OCc3ccccc3Cl)c2)CC1 ZINC000042209582 821285026 /nfs/dbraw/zinc/28/50/26/821285026.db2.gz HRDAAIHDTRWFGL-UHFFFAOYSA-N 1 0 398.934 4.410 20 0 GIADRO COc1cc([C@H](C)NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)ccc1OC(C)C ZINC000042329808 821300810 /nfs/dbraw/zinc/30/08/10/821300810.db2.gz IWNGCKBJXPQNFR-HNNXBMFYSA-N 1 0 391.556 4.152 20 0 GIADRO C[C@@H](CNC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)[NH+]1CCCC1 ZINC000042507800 821309467 /nfs/dbraw/zinc/30/94/67/821309467.db2.gz ISRJASMXDYINFT-ZDUSSCGKSA-N 1 0 396.318 4.182 20 0 GIADRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1sc(NC(=O)c2ccco2)cc1C ZINC000042537764 821309689 /nfs/dbraw/zinc/30/96/89/821309689.db2.gz PXFJYCYEXXENNZ-HNNXBMFYSA-N 1 0 391.537 4.142 20 0 GIADRO CC(C)C[C@H](CNC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)[NH+](C)C ZINC000042587575 821313006 /nfs/dbraw/zinc/31/30/06/821313006.db2.gz NJNLMZGJFVOUNC-QGZVFWFLSA-N 1 0 377.916 4.020 20 0 GIADRO Cc1ccc(C(=O)c2ccccc2C(=O)NC2CC[NH+](C(C)C)CC2)cc1C ZINC000042641076 821318348 /nfs/dbraw/zinc/31/83/48/821318348.db2.gz AJYXPMKEEVHBTM-UHFFFAOYSA-N 1 0 378.516 4.137 20 0 GIADRO O=C(C1CC[NH+](Cc2cc(-c3ccc(Cl)cc3)no2)CC1)N1CCCCC1 ZINC000042675545 821323629 /nfs/dbraw/zinc/32/36/29/821323629.db2.gz RMVKILWGHIZOLP-UHFFFAOYSA-N 1 0 387.911 4.220 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000042699091 821325613 /nfs/dbraw/zinc/32/56/13/821325613.db2.gz HCAHGMAAMBEGHK-UHFFFAOYSA-N 1 0 395.503 4.008 20 0 GIADRO Cc1ccc2nc(CSCC(=O)Nc3cccc(C[NH+]4CCCC4)c3)cn2c1 ZINC000042721474 821326915 /nfs/dbraw/zinc/32/69/15/821326915.db2.gz RMNDWVXTQHMCFW-UHFFFAOYSA-N 1 0 394.544 4.110 20 0 GIADRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000042910133 821344064 /nfs/dbraw/zinc/34/40/64/821344064.db2.gz YAAHCFGEXIZDEI-UHFFFAOYSA-N 1 0 386.584 4.128 20 0 GIADRO COc1ccc([C@@H](CNC(=O)Nc2ccc(C(C)=O)cc2)[NH+]2CCCCC2)cc1 ZINC000042738376 821328811 /nfs/dbraw/zinc/32/88/11/821328811.db2.gz UPGOHHCYNOGDSN-JOCHJYFZSA-N 1 0 395.503 4.247 20 0 GIADRO COc1ccc(-c2nc(CN3CCC[N@H+](Cc4ccccc4)CC3)co2)cc1 ZINC000042760189 821331636 /nfs/dbraw/zinc/33/16/36/821331636.db2.gz KZUWZTQVDPTUAO-UHFFFAOYSA-N 1 0 377.488 4.058 20 0 GIADRO CC(C)[C@@H](NC(=O)NCCCC[N@@H+]1CCCC[C@H]1C)c1nc2ccccc2[nH]1 ZINC000043105323 821361420 /nfs/dbraw/zinc/36/14/20/821361420.db2.gz WQPUONRKBLAHNU-YLJYHZDGSA-N 1 0 385.556 4.214 20 0 GIADRO C[NH+](C)C1(CNC(=O)c2ccccc2SCc2cscn2)CCCCC1 ZINC000043107388 821362347 /nfs/dbraw/zinc/36/23/47/821362347.db2.gz UXDYTQUXRIYFPE-UHFFFAOYSA-N 1 0 389.590 4.430 20 0 GIADRO COc1ccc([C@@H](CNC(=O)N(Cc2ccc(C)o2)C2CC2)[NH+]2CCCC2)cc1 ZINC000043111183 821362542 /nfs/dbraw/zinc/36/25/42/821362542.db2.gz ZPNILGVQLZPNEY-JOCHJYFZSA-N 1 0 397.519 4.108 20 0 GIADRO CCOc1ccc([C@@H]2CCCN2C(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1 ZINC000043146176 821367933 /nfs/dbraw/zinc/36/79/33/821367933.db2.gz KLBWRIJFYGSVTO-OALUTQOASA-N 1 0 387.549 4.296 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)N(Cc1ccco1)Cc1ccccc1)c1cccs1 ZINC000043145712 821367977 /nfs/dbraw/zinc/36/79/77/821367977.db2.gz KNLZWPSMKNNXMT-LJQANCHMSA-N 1 0 383.517 4.356 20 0 GIADRO CCN(C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@H](C)c1cccc(OC)c1 ZINC000043167243 821371771 /nfs/dbraw/zinc/37/17/71/821371771.db2.gz HMRNGZATDDGEOG-XLIONFOSSA-N 1 0 385.508 4.218 20 0 GIADRO CCCCOc1ccc([C@H](C)NC(=O)NC2CC[NH+](C(C)C)CC2)cc1OC ZINC000043168195 821372770 /nfs/dbraw/zinc/37/27/70/821372770.db2.gz YVCMIURTDOZEMQ-KRWDZBQOSA-N 1 0 391.556 4.107 20 0 GIADRO CC(C)n1cnnc1[C@H]1CCC[N@H+](Cc2nc3cc(C(F)(F)F)ccc3o2)C1 ZINC000180626766 821373866 /nfs/dbraw/zinc/37/38/66/821373866.db2.gz HXJYVCYTPQFHIP-ZDUSSCGKSA-N 1 0 393.413 4.399 20 0 GIADRO Clc1cccc(N2CCCC2)c1C[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000180629427 821375241 /nfs/dbraw/zinc/37/52/41/821375241.db2.gz WJUUEKHCXIFOFB-LJQANCHMSA-N 1 0 392.971 4.490 20 0 GIADRO Cc1cccc(N2CC[NH+](CCCNC(=O)Nc3ccccc3C(C)C)CC2)c1 ZINC000043230486 821377148 /nfs/dbraw/zinc/37/71/48/821377148.db2.gz IBDONSCCDZXQSA-UHFFFAOYSA-N 1 0 394.563 4.452 20 0 GIADRO COc1ccc([C@@H]2CCCN2C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000043231972 821378168 /nfs/dbraw/zinc/37/81/68/821378168.db2.gz PRNKOFVUYCDDLY-PMACEKPBSA-N 1 0 399.560 4.440 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(C(=O)N2CCCCC2)c1)c1cccc(-n2ccnc2)c1 ZINC000180649496 821382693 /nfs/dbraw/zinc/38/26/93/821382693.db2.gz CVLBEBUSKUXMPG-LJQANCHMSA-N 1 0 388.515 4.349 20 0 GIADRO NC(=O)COc1cccc(C[NH2+][C@@H](c2cccc(F)c2)c2cccc(Cl)c2)c1 ZINC000180650839 821383154 /nfs/dbraw/zinc/38/31/54/821383154.db2.gz WYEKRHXSJKLMJM-JOCHJYFZSA-N 1 0 398.865 4.222 20 0 GIADRO CC[C@H](CSC)[N@H+](C)Cc1nc(-c2ccc(Br)s2)no1 ZINC000180668270 821388802 /nfs/dbraw/zinc/38/88/02/821388802.db2.gz RBGXJSAGWBTGNK-SECBINFHSA-N 1 0 376.345 4.134 20 0 GIADRO COc1cccc([C@H](CNC(=O)N2CCC[C@@H]2c2ccsc2)[NH+]2CCCC2)c1 ZINC000043307000 821389167 /nfs/dbraw/zinc/38/91/67/821389167.db2.gz LPGREUPLTZKAOD-RTWAWAEBSA-N 1 0 399.560 4.440 20 0 GIADRO COC(=O)CC[C@H]([NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1)c1ccccc1 ZINC000180670803 821389485 /nfs/dbraw/zinc/38/94/85/821389485.db2.gz AQFPIAQWTSQHHW-UWJYYQICSA-N 1 0 380.488 4.159 20 0 GIADRO CC(C)(C)OC(=O)NC1CCC([NH2+]CCc2nc(C(F)(F)F)cs2)CC1 ZINC000180675060 821391468 /nfs/dbraw/zinc/39/14/68/821391468.db2.gz FIHUYEZGYLKKIY-UHFFFAOYSA-N 1 0 393.475 4.130 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)Nc1ccccc1SC)[NH+]1CCCC1 ZINC000043319364 821392230 /nfs/dbraw/zinc/39/22/30/821392230.db2.gz DLSUTPCGVYFGNP-GOSISDBHSA-N 1 0 385.533 4.376 20 0 GIADRO Cc1ccc(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c(Br)c1 ZINC000043328477 821392703 /nfs/dbraw/zinc/39/27/03/821392703.db2.gz RNWGRRQRXSGTRZ-INIZCTEOSA-N 1 0 392.297 4.309 20 0 GIADRO CCc1ccc([C@@H]([NH2+]CC(C)(C)SC)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000180687110 821395241 /nfs/dbraw/zinc/39/52/41/821395241.db2.gz AZHHMUFQRJMFFH-HXUWFJFHSA-N 1 0 391.602 4.473 20 0 GIADRO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000180689318 821396087 /nfs/dbraw/zinc/39/60/87/821396087.db2.gz LWDACNFAPPGZIH-AUUYWEPGSA-N 1 0 394.437 4.308 20 0 GIADRO C[C@@H]([NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1)c1ccc(N2CCOC2=O)cc1 ZINC000180689895 821396610 /nfs/dbraw/zinc/39/66/10/821396610.db2.gz BFZLRFLCGVZYIK-ACJLOTCBSA-N 1 0 394.393 4.046 20 0 GIADRO Cc1ccc(F)c(NC(=O)NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000043350731 821396551 /nfs/dbraw/zinc/39/65/51/821396551.db2.gz MNFRVLHRQDVVSH-CALCHBBNSA-N 1 0 385.483 4.065 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1)CCCO2 ZINC000180692288 821397902 /nfs/dbraw/zinc/39/79/02/821397902.db2.gz JPJWJYCXNWGKTA-MSOLQXFVSA-N 1 0 381.394 4.251 20 0 GIADRO COc1cc2c(cc1OC)CN(C(=O)CCC[NH2+][C@H](C)c1ccccc1C)CC2 ZINC000180696895 821400099 /nfs/dbraw/zinc/40/00/99/821400099.db2.gz RXQUWTNYVBYQIR-GOSISDBHSA-N 1 0 396.531 4.028 20 0 GIADRO C[C@H](CCN[C@H](c1cnn(C)c1)c1cccc(F)c1)[N@H+](C)Cc1ccccc1 ZINC000180697008 821400583 /nfs/dbraw/zinc/40/05/83/821400583.db2.gz ZJDYPWFBAISBCD-JPYJTQIMSA-N 1 0 380.511 4.149 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCC1)Nc1ccccc1N1CCCC1 ZINC000043485612 821413433 /nfs/dbraw/zinc/41/34/33/821413433.db2.gz NZQMCUGZZVXTFG-UHFFFAOYSA-N 1 0 378.520 4.204 20 0 GIADRO CCc1ccc(CN(C)C(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2C)cc1 ZINC000043522228 821421882 /nfs/dbraw/zinc/42/18/82/821421882.db2.gz SSBDKVXHIVAZSQ-UHFFFAOYSA-N 1 0 394.563 4.363 20 0 GIADRO COc1ccc(C[N@@H+]2CCCN(C(=O)Nc3cc(Cl)ccc3F)CC2)cc1 ZINC000043527885 821422623 /nfs/dbraw/zinc/42/26/23/821422623.db2.gz LIGNBEUQXSSKES-UHFFFAOYSA-N 1 0 391.874 4.228 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+]CC2(N3CCCCC3)CCOCC2)cc1OCC ZINC000180739527 821427060 /nfs/dbraw/zinc/42/70/60/821427060.db2.gz RAHUHJGRKAFFAV-LJQANCHMSA-N 1 0 390.568 4.170 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)N[C@H](C)c2ccccc2Cl)CC1 ZINC000043601912 821430413 /nfs/dbraw/zinc/43/04/13/821430413.db2.gz ULJDEJHQDSUCIZ-MRXNPFEDSA-N 1 0 386.927 4.365 20 0 GIADRO Cc1cc(F)ccc1-n1ccc(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)n1 ZINC000180750959 821433884 /nfs/dbraw/zinc/43/38/84/821433884.db2.gz JOPUJVMZVVSNRS-UHFFFAOYSA-N 1 0 398.526 4.048 20 0 GIADRO OCCC[N@H+](Cc1ccc(Oc2cnccn2)cc1)Cc1cccc(Cl)c1 ZINC000180752839 821434642 /nfs/dbraw/zinc/43/46/42/821434642.db2.gz GZDQMYYPPSCVCH-UHFFFAOYSA-N 1 0 383.879 4.307 20 0 GIADRO COc1ccc([C@H]([NH2+]CCCO[C@H]2CCOC2)c2ccccc2Cl)cc1 ZINC000180754178 821435346 /nfs/dbraw/zinc/43/53/46/821435346.db2.gz GLPQWBIKNPMSHQ-RXVVDRJESA-N 1 0 375.896 4.223 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)c2ccc(NC(=O)[C@@H]3C[C@H]3C)cc2)CC1 ZINC000180755103 821436195 /nfs/dbraw/zinc/43/61/95/821436195.db2.gz WMGWIUSBZLUMRR-XMSQKQJNSA-N 1 0 399.579 4.255 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)c2cccc(NC(=O)[C@@H]3C[C@@H]3C)c2)CC1 ZINC000180758038 821438117 /nfs/dbraw/zinc/43/81/17/821438117.db2.gz NPXLQZJFWAFZAF-PGRDOPGGSA-N 1 0 399.579 4.255 20 0 GIADRO CC(C)C(=O)Nc1ccc(NC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cc1 ZINC000043674664 821440129 /nfs/dbraw/zinc/44/01/29/821440129.db2.gz YSHGRWZSIJMTNZ-UHFFFAOYSA-N 1 0 394.519 4.021 20 0 GIADRO CC[C@@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc2cc(OC)ccc2c1 ZINC000180767704 821443913 /nfs/dbraw/zinc/44/39/13/821443913.db2.gz YXFUOJGKRPFNPP-QZTJIDSGSA-N 1 0 380.410 4.052 20 0 GIADRO C[C@H]([NH2+][C@H]1CCN(c2ccccc2F)C1=O)c1cccc(-c2ccncc2)c1 ZINC000180771927 821446744 /nfs/dbraw/zinc/44/67/44/821446744.db2.gz YENBZBDIXNSAOK-KKSFZXQISA-N 1 0 375.447 4.344 20 0 GIADRO C[C@@H]([NH2+]CCNC(=O)c1c(F)cccc1F)c1cccc(-c2ccncc2)c1 ZINC000180789576 821459471 /nfs/dbraw/zinc/45/94/71/821459471.db2.gz GFCLSRAYOOKVQU-OAHLLOKOSA-N 1 0 381.426 4.107 20 0 GIADRO CN(Cc1ccc2ccccc2c1)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000043799482 821459813 /nfs/dbraw/zinc/45/98/13/821459813.db2.gz ZEFJVQLJWQCDPI-UHFFFAOYSA-N 1 0 388.515 4.256 20 0 GIADRO CC(C)COc1ccccc1NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180793430 821462281 /nfs/dbraw/zinc/46/22/81/821462281.db2.gz ZVZNRQCPFXJBGP-UHFFFAOYSA-N 1 0 382.508 4.155 20 0 GIADRO Fc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cc1 ZINC000180801640 821466125 /nfs/dbraw/zinc/46/61/25/821466125.db2.gz ZTYUADFWJJOJET-INIZCTEOSA-N 1 0 393.388 4.268 20 0 GIADRO C[C@@H]([NH2+]CCCOc1cccc2cccnc21)c1ccc(N2CCOC2=O)cc1 ZINC000180803259 821466765 /nfs/dbraw/zinc/46/67/65/821466765.db2.gz NDJKZHKGNHUKNQ-QGZVFWFLSA-N 1 0 391.471 4.311 20 0 GIADRO CCOCc1cc(C[N@@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)ccc1OC ZINC000180802792 821466808 /nfs/dbraw/zinc/46/68/08/821466808.db2.gz YTRAFDWZYWOINE-QGZVFWFLSA-N 1 0 397.441 4.284 20 0 GIADRO COCCCOc1cccc(C[N@@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c1 ZINC000180804313 821467401 /nfs/dbraw/zinc/46/74/01/821467401.db2.gz SCNMRRVVLXOREG-QGZVFWFLSA-N 1 0 397.441 4.154 20 0 GIADRO CCOC(=O)CC[C@@H]1CCC[N@H+](Cc2cc3cnn(C(C)C)c3nc2Cl)C1 ZINC000180806007 821468927 /nfs/dbraw/zinc/46/89/27/821468927.db2.gz FWSYNVIZBJGXBO-HNNXBMFYSA-N 1 0 392.931 4.221 20 0 GIADRO CO[C@H](C[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)c1cccc(Cl)c1 ZINC000180813470 821474151 /nfs/dbraw/zinc/47/41/51/821474151.db2.gz NEHCRHPJIIWGFT-DAWZGUTISA-N 1 0 382.932 4.453 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)Nc1ccc(SC)cc1)[NH+]1CCCC1 ZINC000043867357 821477528 /nfs/dbraw/zinc/47/75/28/821477528.db2.gz WXETVPSKUGWMLU-IBGZPJMESA-N 1 0 385.533 4.376 20 0 GIADRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(-c3cccc(Br)c3)o2)C1 ZINC000180822849 821481498 /nfs/dbraw/zinc/48/14/98/821481498.db2.gz RIOWFOCRSPEAEF-HNNXBMFYSA-N 1 0 391.309 4.009 20 0 GIADRO Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@@H](C)CCc1ccco1 ZINC000180828871 821483813 /nfs/dbraw/zinc/48/38/13/821483813.db2.gz RPMNQVKVUJIHFM-AWEZNQCLSA-N 1 0 379.298 4.290 20 0 GIADRO CC(C)C[NH+]1CCC(NC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)CC1 ZINC000043888054 821484389 /nfs/dbraw/zinc/48/43/89/821484389.db2.gz HIRDDKLWLNNWCU-HXUWFJFHSA-N 1 0 389.540 4.396 20 0 GIADRO CC(C)C[NH+]1CCC(NC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)CC1 ZINC000043888052 821484403 /nfs/dbraw/zinc/48/44/03/821484403.db2.gz HIRDDKLWLNNWCU-FQEVSTJZSA-N 1 0 389.540 4.396 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CCCNC(=O)c1cccs1 ZINC000180832738 821486071 /nfs/dbraw/zinc/48/60/71/821486071.db2.gz FGNLEHGHPOTRRE-CYBMUJFWSA-N 1 0 386.546 4.046 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1ccc(OCC(F)(F)F)cc1)c1cccs1 ZINC000043924379 821489829 /nfs/dbraw/zinc/48/98/29/821489829.db2.gz ZSPWVCUSACHCSY-CQSZACIVSA-N 1 0 387.427 4.114 20 0 GIADRO Cc1noc(CC[NH2+][C@@H](c2cccc(F)c2)c2cccc(Br)c2)n1 ZINC000180843382 821490682 /nfs/dbraw/zinc/49/06/82/821490682.db2.gz PPVLMVDETCPYRW-GOSISDBHSA-N 1 0 390.256 4.201 20 0 GIADRO Cc1cc(-c2cc(C(=O)NC3CC[NH+](C(C)C)CC3)c3c(C)noc3n2)c(C)o1 ZINC000043935179 821491451 /nfs/dbraw/zinc/49/14/51/821491451.db2.gz XCQHBNSSERWCLM-UHFFFAOYSA-N 1 0 396.491 4.011 20 0 GIADRO Cc1noc(C)c1CSc1ccccc1C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000043935272 821491468 /nfs/dbraw/zinc/49/14/68/821491468.db2.gz LCOUMHRPNHCRDM-UHFFFAOYSA-N 1 0 387.549 4.186 20 0 GIADRO C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000180847282 821492231 /nfs/dbraw/zinc/49/22/31/821492231.db2.gz SEVFJOWTSRBWOL-QGZVFWFLSA-N 1 0 394.544 4.169 20 0 GIADRO C[C@H]([NH2+]CCCc1nc(-c2ccncc2)cs1)c1ccc(-n2cncn2)cc1 ZINC000180847484 821492857 /nfs/dbraw/zinc/49/28/57/821492857.db2.gz VWSNNOFBTRNUMY-INIZCTEOSA-N 1 0 390.516 4.069 20 0 GIADRO C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000180848939 821493329 /nfs/dbraw/zinc/49/33/29/821493329.db2.gz NWRWCYRZNNSCRV-OAHLLOKOSA-N 1 0 398.507 4.284 20 0 GIADRO CN(C(=O)C[NH2+]C(C)(C)c1ccc(F)c(F)c1)c1nc2ccccc2s1 ZINC000180858613 821498239 /nfs/dbraw/zinc/49/82/39/821498239.db2.gz BISCLOJGCVNKJE-UHFFFAOYSA-N 1 0 375.444 4.062 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)N1CCC[C@@H]1c1cc(C)on1 ZINC000043993351 821499351 /nfs/dbraw/zinc/49/93/51/821499351.db2.gz HSPOESDPRPLVLA-LJQANCHMSA-N 1 0 386.496 4.073 20 0 GIADRO CC(C)CC(=O)Nc1ccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000044031581 821507879 /nfs/dbraw/zinc/50/78/79/821507879.db2.gz VOUVDKKZEHRSIQ-NRFANRHFSA-N 1 0 394.519 4.067 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(NC(C)=O)c(C)c1)Cc1ccccc1 ZINC000044046935 821510570 /nfs/dbraw/zinc/51/05/70/821510570.db2.gz POHVZVYHNFHABS-NRFANRHFSA-N 1 0 396.535 4.028 20 0 GIADRO CCOc1ccc(OC)cc1NCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000180882418 821511388 /nfs/dbraw/zinc/51/13/88/821511388.db2.gz MUNZCLUFFGVXLT-UHFFFAOYSA-N 1 0 383.536 4.236 20 0 GIADRO CC(=O)Nc1ccc(F)c(NC(=O)NCC2([NH+]3CCCCC3)CCCCC2)c1 ZINC000044078298 821517548 /nfs/dbraw/zinc/51/75/48/821517548.db2.gz XPLRBVVSBOIUGI-UHFFFAOYSA-N 1 0 390.503 4.094 20 0 GIADRO Cn1cc([C@H]([NH2+]CCCOc2cccc3cccnc32)c2cccc(F)c2)cn1 ZINC000180890900 821518174 /nfs/dbraw/zinc/51/81/74/821518174.db2.gz DZJVQWKEFFLKQE-JOCHJYFZSA-N 1 0 390.462 4.256 20 0 GIADRO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[N@H+](C)[C@@H](C)c1cc2ccccc2o1 ZINC000044089969 821521114 /nfs/dbraw/zinc/52/11/14/821521114.db2.gz YMSPLQJKVZYPIX-KXBFYZLASA-N 1 0 397.471 4.077 20 0 GIADRO CC(C)[C@@H]([NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)c1nc(C2CC2)no1 ZINC000180897092 821522356 /nfs/dbraw/zinc/52/23/56/821522356.db2.gz HIDCPBYIPMIJBG-UYSNPLJNSA-N 1 0 378.517 4.070 20 0 GIADRO O=C(NCC[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccco1 ZINC000180898558 821523010 /nfs/dbraw/zinc/52/30/10/821523010.db2.gz BCUIPPLHVWATRL-UHFFFAOYSA-N 1 0 378.350 4.078 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)Nc1ccc(F)cc1OCC1CC1 ZINC000180898238 821523050 /nfs/dbraw/zinc/52/30/50/821523050.db2.gz NCTOOKSWNRHDIT-UHFFFAOYSA-N 1 0 398.482 4.048 20 0 GIADRO CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@](C)(O)c1ccc(F)cc1F ZINC000180898720 821523165 /nfs/dbraw/zinc/52/31/65/821523165.db2.gz RRJLARLNZULFPJ-QRQCRPRQSA-N 1 0 390.474 4.303 20 0 GIADRO CC(=O)c1cccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccc(-c3ccncc3)cc2)c1 ZINC000180899443 821523683 /nfs/dbraw/zinc/52/36/83/821523683.db2.gz YFCCWISVWKPHHX-HXOBKFHXSA-N 1 0 390.483 4.042 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+]CCc2nc(-c3cccc(Cl)c3)no2)c1 ZINC000180902081 821526077 /nfs/dbraw/zinc/52/60/77/821526077.db2.gz FSMXGMLTSQLHKI-ZDUSSCGKSA-N 1 0 384.867 4.242 20 0 GIADRO Cc1ccccc1NC(=O)C[C@H](C)[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000180902153 821526133 /nfs/dbraw/zinc/52/61/33/821526133.db2.gz RDFTYCLIZSYRCN-HNNXBMFYSA-N 1 0 398.894 4.248 20 0 GIADRO C[C@H]([NH2+]CCc1nc(-c2cccc(Cl)c2)no1)c1ccc2c(c1)OCCO2 ZINC000180902270 821526163 /nfs/dbraw/zinc/52/61/63/821526163.db2.gz FOYCEECPOZFPJF-ZDUSSCGKSA-N 1 0 385.851 4.055 20 0 GIADRO COC(=O)COc1cccc(C[NH2+][C@H]2CCCOc3c(C)cc(Cl)cc32)c1 ZINC000180908748 821530269 /nfs/dbraw/zinc/53/02/69/821530269.db2.gz KSHDHENUSXKJQX-IBGZPJMESA-N 1 0 389.879 4.204 20 0 GIADRO Cc1ccoc1C(=O)NCCC[NH2+]C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000180910848 821531765 /nfs/dbraw/zinc/53/17/65/821531765.db2.gz KAFFILLLUDKTAG-UHFFFAOYSA-N 1 0 384.426 4.365 20 0 GIADRO COC(=O)COc1cccc(C[NH2+][C@@H](C)c2cccc(-c3ccncc3)c2)c1 ZINC000180910540 821531828 /nfs/dbraw/zinc/53/18/28/821531828.db2.gz PPYNEKIYNPGYQI-KRWDZBQOSA-N 1 0 376.456 4.151 20 0 GIADRO CS(=O)(=O)C1CCC([NH2+][C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000180914603 821534799 /nfs/dbraw/zinc/53/47/99/821534799.db2.gz CYCDRANZMLEDTI-SOAGJPPSSA-N 1 0 377.937 4.375 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)NCCc1ccc(F)cc1)c1ccc(-c2ccncc2)cc1 ZINC000180917299 821536813 /nfs/dbraw/zinc/53/68/13/821536813.db2.gz LJLLODLRZDZXNM-MSOLQXFVSA-N 1 0 391.490 4.286 20 0 GIADRO COc1ccc(CN2CC[C@H]([NH2+][C@H](C)c3sc(C(C)C)nc3C)C2=O)cc1 ZINC000180917531 821537507 /nfs/dbraw/zinc/53/75/07/821537507.db2.gz IKMOHNQBICSQAI-KDOFPFPSSA-N 1 0 387.549 4.035 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=S)Nc1ccc(F)c(Cl)c1 ZINC000044158252 821538309 /nfs/dbraw/zinc/53/83/09/821538309.db2.gz MWPDERINNHEJLV-UHFFFAOYSA-N 1 0 390.915 4.111 20 0 GIADRO C[C@@H](NC(=O)[C@@]1(C)CCCC[NH2+]1)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000180920156 821538629 /nfs/dbraw/zinc/53/86/29/821538629.db2.gz VGODEBPKNOJOQZ-OPAMFIHVSA-N 1 0 380.492 4.040 20 0 GIADRO COc1cc(NC(=O)C[NH2+][C@@H](C)c2ccc(-c3ccncc3)cc2)cc(OC)c1 ZINC000180924540 821540453 /nfs/dbraw/zinc/54/04/53/821540453.db2.gz LISXCFPIWRCVAU-INIZCTEOSA-N 1 0 391.471 4.055 20 0 GIADRO CCCOc1cccc(NC(=O)N2CCC[N@H+](Cc3ccc(OC)cc3)CC2)c1 ZINC000044204687 821545933 /nfs/dbraw/zinc/54/59/33/821545933.db2.gz ROWGKMKARGQMRM-UHFFFAOYSA-N 1 0 397.519 4.224 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1cccc(Cn2cccn2)c1)c1ccsc1 ZINC000044247708 821554026 /nfs/dbraw/zinc/55/40/26/821554026.db2.gz LTXVKQTWXQDWAY-FQEVSTJZSA-N 1 0 397.548 4.198 20 0 GIADRO Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000180959880 821557123 /nfs/dbraw/zinc/55/71/23/821557123.db2.gz IOTLDDAZTQNNAZ-NQIIRXRSSA-N 1 0 395.551 4.099 20 0 GIADRO CC(C)[C@H](NC(=O)Nc1cccc(C[NH+](C)C)c1)c1ccc2c(c1)OCCO2 ZINC000044277511 821558395 /nfs/dbraw/zinc/55/83/95/821558395.db2.gz HTLSKBAEZNLEPM-NRFANRHFSA-N 1 0 383.492 4.038 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)NCc2cccc(COCc3ccco3)c2)c1 ZINC000044277050 821558556 /nfs/dbraw/zinc/55/85/56/821558556.db2.gz PVKMAJUXKJRIPT-UHFFFAOYSA-N 1 0 393.487 4.380 20 0 GIADRO CCc1nc2ccccc2n1C1CC[NH+](Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000180964450 821559711 /nfs/dbraw/zinc/55/97/11/821559711.db2.gz UVFVODVJANAJLJ-UHFFFAOYSA-N 1 0 386.499 4.277 20 0 GIADRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1cc2ccccc2o1 ZINC000180966985 821561347 /nfs/dbraw/zinc/56/13/47/821561347.db2.gz WJHVYSCFNOLOBK-QGZVFWFLSA-N 1 0 398.528 4.078 20 0 GIADRO COCCOc1ccc(NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000044300290 821562840 /nfs/dbraw/zinc/56/28/40/821562840.db2.gz LTXLUMLXJSRZDJ-UHFFFAOYSA-N 1 0 397.519 4.019 20 0 GIADRO CCCOc1cc(F)ccc1NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180973497 821566247 /nfs/dbraw/zinc/56/62/47/821566247.db2.gz CLUVFOCNNIRKNI-UHFFFAOYSA-N 1 0 386.471 4.048 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)c2cc(C(C)C)n(C(C)(C)C)n2)CC1 ZINC000044330673 821570443 /nfs/dbraw/zinc/57/04/43/821570443.db2.gz ZSWBAPHUUCZHBT-UHFFFAOYSA-N 1 0 397.567 4.156 20 0 GIADRO OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CNCc1ccc(-c2ccccc2)o1 ZINC000180985051 821574797 /nfs/dbraw/zinc/57/47/97/821574797.db2.gz STFNICSUKMPJFD-QFIPXVFZSA-N 1 0 376.500 4.193 20 0 GIADRO CCn1c2ccccc2nc1[C@@H](C)[NH2+][C@@H](C)CC(=O)Nc1ccc(OC)cc1 ZINC000180993926 821580919 /nfs/dbraw/zinc/58/09/19/821580919.db2.gz XDTQQOWEKYZNAE-JKSUJKDBSA-N 1 0 380.492 4.133 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)Nc2cc(F)c(N3CCCCC3)c(F)c2)CC1 ZINC000180999413 821584278 /nfs/dbraw/zinc/58/42/78/821584278.db2.gz DHRHIMHVQHTYRL-UHFFFAOYSA-N 1 0 394.510 4.293 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438822 821586482 /nfs/dbraw/zinc/58/64/82/821586482.db2.gz AICDSQBYOIMKMA-UHFFFAOYSA-N 1 0 398.457 4.228 20 0 GIADRO Cc1nc(COc2ccc(C[N@@H+](C)Cc3cc(F)c(F)c(F)c3)cc2)no1 ZINC000181012622 821593007 /nfs/dbraw/zinc/59/30/07/821593007.db2.gz LTLXEBLVHLDOFM-UHFFFAOYSA-N 1 0 377.366 4.006 20 0 GIADRO C[NH+](C)Cc1c2ccccc2oc1C(=O)N[C@H]1CCCOc2c(F)cccc21 ZINC000181047341 821609817 /nfs/dbraw/zinc/60/98/17/821609817.db2.gz KYUALOWOMIYLRO-SFHVURJKSA-N 1 0 382.435 4.277 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@H](Cc2ccccc2)C2CC2)c1 ZINC000181049065 821610289 /nfs/dbraw/zinc/61/02/89/821610289.db2.gz PNHXDNJTMGSFNF-OXJNMPFZSA-N 1 0 382.504 4.032 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(N2CCOC2=O)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000181068216 821616929 /nfs/dbraw/zinc/61/69/29/821616929.db2.gz ZHMLECBZSQMNGL-ZDUSSCGKSA-N 1 0 380.366 4.393 20 0 GIADRO O=C(NCc1ccc(Cl)cn1)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000181074999 821619666 /nfs/dbraw/zinc/61/96/66/821619666.db2.gz IPOVQAVNBAYMII-GOSISDBHSA-N 1 0 393.318 4.025 20 0 GIADRO O=C(N[C@H]1CCCOc2c(Cl)cccc21)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000181085268 821625015 /nfs/dbraw/zinc/62/50/15/821625015.db2.gz FODBHCYQGSCKSJ-APWZRJJASA-N 1 0 391.943 4.214 20 0 GIADRO O=C(N[C@@H]1CCCOc2c(Cl)cccc21)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000181085249 821625026 /nfs/dbraw/zinc/62/50/26/821625026.db2.gz FODBHCYQGSCKSJ-QFBILLFUSA-N 1 0 391.943 4.214 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)CC(=O)Nc1ccc(OC)cc1OC)c1cc(F)ccc1F ZINC000181102497 821633837 /nfs/dbraw/zinc/63/38/37/821633837.db2.gz WVFFPYWRINPDJX-UGSOOPFHSA-N 1 0 392.446 4.440 20 0 GIADRO CC[C@@H]([NH2+][C@H](C)CC(=O)Nc1ccc(OC)cc1OC)c1cc(F)ccc1F ZINC000181102550 821633903 /nfs/dbraw/zinc/63/39/03/821633903.db2.gz WVFFPYWRINPDJX-FZKQIMNGSA-N 1 0 392.446 4.440 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]C1CCC(S(C)(=O)=O)CC1 ZINC000181115697 821642063 /nfs/dbraw/zinc/64/20/63/821642063.db2.gz JZVWKSFSKZNIFY-NVPAJSRCSA-N 1 0 378.563 4.125 20 0 GIADRO CCOC[C@H](C)[NH2+]Cc1cc(Br)c(OCC)c(Br)c1 ZINC000044691258 821645631 /nfs/dbraw/zinc/64/56/31/821645631.db2.gz CTSWROJQMPONOM-JTQLQIEISA-N 1 0 395.135 4.125 20 0 GIADRO COc1ccc(Cl)cc1[C@H](CC(C)C)[NH2+]C1CCC(S(C)(=O)=O)CC1 ZINC000181122192 821646912 /nfs/dbraw/zinc/64/69/12/821646912.db2.gz PCIAOVRHFOBULV-HTWSVDAQSA-N 1 0 387.973 4.381 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)c1ccc(COC(C)C)cc1)[NH+]1CCCC1 ZINC000044718698 821649091 /nfs/dbraw/zinc/64/90/91/821649091.db2.gz IEZAWWMQCXVGMR-JOCHJYFZSA-N 1 0 396.531 4.187 20 0 GIADRO CC(C)n1cc([C@H](C)[NH2+]CCOc2ncc(C(F)(F)F)cc2Cl)cn1 ZINC000181128718 821650346 /nfs/dbraw/zinc/65/03/46/821650346.db2.gz PCXOELUSBXNCLI-NSHDSACASA-N 1 0 376.810 4.261 20 0 GIADRO COc1cccc([C@H](CNC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)[NH+]2CCCC2)c1 ZINC000044836036 821670442 /nfs/dbraw/zinc/67/04/42/821670442.db2.gz MFEDEEMPKNRCHK-LNLFQRSKSA-N 1 0 398.469 4.317 20 0 GIADRO CSC1(C[NH2+][C@@H](C)c2ccc(OC(F)F)cc2OC(F)F)CCOCC1 ZINC000181161056 821672120 /nfs/dbraw/zinc/67/21/20/821672120.db2.gz OUWIPSQRXDOWIC-NSHDSACASA-N 1 0 397.434 4.452 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)[NH+]1CCCC1 ZINC000044867760 821674355 /nfs/dbraw/zinc/67/43/55/821674355.db2.gz OHMGYTCEOCEMRT-RYRKJORJSA-N 1 0 398.469 4.317 20 0 GIADRO COc1ccc(S[C@H](C)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000044872664 821675097 /nfs/dbraw/zinc/67/50/97/821675097.db2.gz KPKHTWMANWDJLL-QGZVFWFLSA-N 1 0 384.545 4.088 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(NC(C)=O)c(SC)c1)c1ccccc1 ZINC000044874954 821675139 /nfs/dbraw/zinc/67/51/39/821675139.db2.gz OEBVSOZFNTYOIQ-FQEVSTJZSA-N 1 0 399.560 4.180 20 0 GIADRO COc1ccc([C@H](C)[NH2+]C[C@@H](C)Oc2cccc(Cl)c2)cc1NC(C)=O ZINC000181173701 821678560 /nfs/dbraw/zinc/67/85/60/821678560.db2.gz WBGJIXSXPWDQTP-KGLIPLIRSA-N 1 0 376.884 4.425 20 0 GIADRO CSc1ccc(CN(C)C(=O)C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)cc1 ZINC000181179924 821681116 /nfs/dbraw/zinc/68/11/16/821681116.db2.gz WWDUBKFLLMATKJ-KNQAVFIVSA-N 1 0 398.572 4.124 20 0 GIADRO Cc1nn(C(C)(C)C)c(C)c1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000044958923 821683198 /nfs/dbraw/zinc/68/31/98/821683198.db2.gz PQSCHZJTJJJUBJ-UHFFFAOYSA-N 1 0 382.552 4.171 20 0 GIADRO O=C(C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)Nc1ccc(F)c(Cl)c1 ZINC000181185394 821684160 /nfs/dbraw/zinc/68/41/60/821684160.db2.gz SGFFFPZTSYOHHV-IFXJQAMLSA-N 1 0 376.859 4.175 20 0 GIADRO CC(C)OCC[NH+]1CCC(NC(=O)CCCc2ccc3ccccc3c2)CC1 ZINC000181185209 821684266 /nfs/dbraw/zinc/68/42/66/821684266.db2.gz GDXXEPAYASUAMQ-UHFFFAOYSA-N 1 0 382.548 4.168 20 0 GIADRO COc1ccc2c(C[NH2+][C@H](C[C@H]3CCOC3)c3ccccc3)cc(=O)oc2c1 ZINC000181193262 821688399 /nfs/dbraw/zinc/68/83/99/821688399.db2.gz OUPCQFRAFGGYLJ-IIBYNOLFSA-N 1 0 379.456 4.059 20 0 GIADRO O=C(C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1)N[C@@H](c1ccccc1)C1CC1 ZINC000181202487 821693944 /nfs/dbraw/zinc/69/39/44/821693944.db2.gz ZBNCNZREMXNEII-XANCMCCPSA-N 1 0 378.516 4.011 20 0 GIADRO CCc1cc2c(C[NH2+][C@@H](C[C@@H]3CCOC3)c3ccccc3)cc(=O)oc2cc1O ZINC000181209117 821698304 /nfs/dbraw/zinc/69/83/04/821698304.db2.gz DIZQYGSTWSXTHQ-KKSFZXQISA-N 1 0 393.483 4.319 20 0 GIADRO CCOC(=O)c1ccc(C[NH+]2CCC(n3c(CC)nc4ccccc43)CC2)o1 ZINC000181214039 821700830 /nfs/dbraw/zinc/70/08/30/821700830.db2.gz TVNHHQWKJOQLGW-UHFFFAOYSA-N 1 0 381.476 4.206 20 0 GIADRO O=C(C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1)Nc1ccc(C(F)(F)F)cc1 ZINC000181222889 821704819 /nfs/dbraw/zinc/70/48/19/821704819.db2.gz RXAIJZARTBJSLH-BEFAXECRSA-N 1 0 392.421 4.401 20 0 GIADRO O=C(C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1)Nc1cccc2c1N=S=N2 ZINC000181223390 821705023 /nfs/dbraw/zinc/70/50/23/821705023.db2.gz MHOQNFYTCUHQQE-KSSFIOAISA-N 1 0 382.489 4.109 20 0 GIADRO CS(=O)(=O)CC1(C[NH2+][C@H](Cc2ccc(F)cc2)c2ccccc2Cl)CC1 ZINC000181227635 821707450 /nfs/dbraw/zinc/70/74/50/821707450.db2.gz NHRVKXRPZUNMTL-LJQANCHMSA-N 1 0 395.927 4.177 20 0 GIADRO CC(C)[C@H]1OCCC[C@H]1C[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000181237864 821712936 /nfs/dbraw/zinc/71/29/36/821712936.db2.gz IUVNPOLKECZOGA-YZVOILCLSA-N 1 0 386.458 4.463 20 0 GIADRO Cc1c([C@@H](C)[NH2+]Cc2ccc([S@](C)=O)cc2)cnn1-c1cccc(Cl)c1 ZINC000181245751 821716307 /nfs/dbraw/zinc/71/63/07/821716307.db2.gz FXPKKEOYZKDZRE-PTFIGZPYSA-N 1 0 387.936 4.422 20 0 GIADRO Cc1c([C@@H](C)[NH2+]Cc2ccc([S@@](C)=O)cc2)cnn1-c1cccc(Cl)c1 ZINC000181245784 821716524 /nfs/dbraw/zinc/71/65/24/821716524.db2.gz FXPKKEOYZKDZRE-IYJVBRSBSA-N 1 0 387.936 4.422 20 0 GIADRO CC(C)c1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000181265932 821724334 /nfs/dbraw/zinc/72/43/34/821724334.db2.gz HFOWEUBSFZXLGE-IAGOWNOFSA-N 1 0 395.503 4.444 20 0 GIADRO C[C@H]([NH2+]CCCN1C(=O)c2ccccc2C1=O)c1ccc(-c2cccnc2)cc1 ZINC000181273044 821726824 /nfs/dbraw/zinc/72/68/24/821726824.db2.gz VTZXBUAYZCDFCO-KRWDZBQOSA-N 1 0 385.467 4.086 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(C(C)(C)C)cc1)c1ccc(N2CCOC2=O)cc1 ZINC000181280089 821732303 /nfs/dbraw/zinc/73/23/03/821732303.db2.gz VWHSSUGCTRNTBB-MRXNPFEDSA-N 1 0 395.503 4.230 20 0 GIADRO COc1ccccc1CNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000181288164 821736272 /nfs/dbraw/zinc/73/62/72/821736272.db2.gz PEXPZTHUUIZTBF-ROUUACIJSA-N 1 0 389.499 4.113 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCN(c2c(F)cccc2F)C1=O)c1ccc(-c2cccnc2)cc1 ZINC000181291508 821738545 /nfs/dbraw/zinc/73/85/45/821738545.db2.gz FKUDSJVOYSVWMR-VFNWGFHPSA-N 1 0 393.437 4.483 20 0 GIADRO CCC[C@H]([NH2+][C@@H]1CCc2nc(COC)nn2C1)c1ccc(Cl)cc1Cl ZINC000181293224 821739347 /nfs/dbraw/zinc/73/93/47/821739347.db2.gz RYSNWNFKSDXGNK-CJNGLKHVSA-N 1 0 383.323 4.177 20 0 GIADRO CC(=O)c1cccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccc(-c3cccnc3)cc2)c1 ZINC000181293942 821739911 /nfs/dbraw/zinc/73/99/11/821739911.db2.gz IRPABESUNAKKPA-GAJHUEQPSA-N 1 0 390.483 4.042 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000181305929 821745841 /nfs/dbraw/zinc/74/58/41/821745841.db2.gz XPUNTRBDZQUDFN-DOXZYTNZSA-N 1 0 394.485 4.233 20 0 GIADRO Cc1sc(CC[NH2+]C2CCN(Cc3ccccn3)CC2)nc1-c1ccccc1 ZINC000181307603 821747186 /nfs/dbraw/zinc/74/71/86/821747186.db2.gz OFBZUARVGKFTHH-UHFFFAOYSA-N 1 0 392.572 4.310 20 0 GIADRO C[C@@H](Cc1ccccc1Br)[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000181309012 821747624 /nfs/dbraw/zinc/74/76/24/821747624.db2.gz OEAPQEYZTOQLOG-INIZCTEOSA-N 1 0 388.353 4.029 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+][C@H](C)c2c(C)nn(CC(F)(F)F)c2C)c1 ZINC000181310993 821748968 /nfs/dbraw/zinc/74/89/68/821748968.db2.gz GOHHNDDVPVPKNB-NWDGAFQWSA-N 1 0 382.430 4.432 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)c1 ZINC000181311052 821749612 /nfs/dbraw/zinc/74/96/12/821749612.db2.gz GOHHNDDVPVPKNB-NEPJUHHUSA-N 1 0 382.430 4.432 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)COCc1ccccc1F)c1ccc(-c2cccnc2)cc1 ZINC000181313187 821752026 /nfs/dbraw/zinc/75/20/26/821752026.db2.gz YGSZORSBDCMNEQ-JTSKRJEESA-N 1 0 380.463 4.116 20 0 GIADRO CCCc1c(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cnn1-c1ccccc1 ZINC000181318710 821756103 /nfs/dbraw/zinc/75/61/03/821756103.db2.gz YDHRMNUZRDPWJM-OALUTQOASA-N 1 0 394.563 4.208 20 0 GIADRO CCCc1c(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cnn1-c1ccccc1 ZINC000181318726 821756203 /nfs/dbraw/zinc/75/62/03/821756203.db2.gz YDHRMNUZRDPWJM-MOPGFXCFSA-N 1 0 394.563 4.208 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1)C(=O)N1CCc2ccccc2C1 ZINC000181320659 821757364 /nfs/dbraw/zinc/75/73/64/821757364.db2.gz OSQTVMIOMUXFAN-RBUKOAKNSA-N 1 0 385.511 4.373 20 0 GIADRO CCc1ccc2c(C[NH2+][C@H](C)c3cccc(N4CCOC4=O)c3)cc(=O)oc2c1 ZINC000181324084 821758840 /nfs/dbraw/zinc/75/88/40/821758840.db2.gz OYXCTPXXAGRNSA-OAHLLOKOSA-N 1 0 392.455 4.163 20 0 GIADRO COCc1noc([C@H](C)[NH2+]C[C@H](c2c[nH]c3ccccc32)c2ccccc2)n1 ZINC000181324366 821759561 /nfs/dbraw/zinc/75/95/61/821759561.db2.gz WCCRIKYDXBZDBW-YJBOKZPZSA-N 1 0 376.460 4.180 20 0 GIADRO COc1cccc2[nH]cc(CC[NH2+][C@H](C)c3ccc(N4CCOC4=O)cc3)c21 ZINC000181337109 821768205 /nfs/dbraw/zinc/76/82/05/821768205.db2.gz HBRKPBPSYWHSGF-OAHLLOKOSA-N 1 0 379.460 4.026 20 0 GIADRO Cc1cccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)c1C ZINC000181338729 821769748 /nfs/dbraw/zinc/76/97/48/821769748.db2.gz NMZACQMKGJGQRY-ZWKOTPCHSA-N 1 0 379.504 4.108 20 0 GIADRO CCc1cccc(CC)c1NC(=O)C[NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000181345222 821775205 /nfs/dbraw/zinc/77/52/05/821775205.db2.gz LBFKFPKPAMPOIM-QGZVFWFLSA-N 1 0 393.531 4.228 20 0 GIADRO CO[C@H](C)CCC(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000181350964 821779815 /nfs/dbraw/zinc/77/98/15/821779815.db2.gz SKBKDMOQEYOKQK-LJQANCHMSA-N 1 0 380.532 4.381 20 0 GIADRO Cc1cccc(C)c1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000181354750 821782467 /nfs/dbraw/zinc/78/24/67/821782467.db2.gz KKVICLKJOQTDOT-ZWKOTPCHSA-N 1 0 379.504 4.108 20 0 GIADRO C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]Cc1nc(C2CC2)cs1 ZINC000181366468 821790303 /nfs/dbraw/zinc/79/03/03/821790303.db2.gz OPNFJLCYPGBWII-NSHDSACASA-N 1 0 399.438 4.426 20 0 GIADRO C[C@@H]([NH2+]CCCc1nc(-c2ccccc2)no1)c1ccc(N2CCCC2=O)cc1 ZINC000181368173 821791536 /nfs/dbraw/zinc/79/15/36/821791536.db2.gz HPTGPDZNTWYQET-QGZVFWFLSA-N 1 0 390.487 4.147 20 0 GIADRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1F ZINC000181369715 821792338 /nfs/dbraw/zinc/79/23/38/821792338.db2.gz VWHCRKFWJOLXKA-NEPJUHHUSA-N 1 0 379.819 4.374 20 0 GIADRO C[NH+](C)C1CCN(C(=O)Nc2ccc(Br)c3ccccc23)CC1 ZINC000181370426 821792362 /nfs/dbraw/zinc/79/23/62/821792362.db2.gz ZQSMWLSOTJXFCQ-UHFFFAOYSA-N 1 0 376.298 4.160 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(Br)c3ccccc23)C1 ZINC000181373080 821793768 /nfs/dbraw/zinc/79/37/68/821793768.db2.gz HQQSLADFHXHKGD-AWEZNQCLSA-N 1 0 390.325 4.408 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+]Cc2ccccc2OCC(F)(F)F)s1 ZINC000181386430 821799093 /nfs/dbraw/zinc/79/90/93/821799093.db2.gz ZEVHVNBFGMOFOV-GFCCVEGCSA-N 1 0 388.455 4.432 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+]CC(=O)NCc2ccc(Cl)s2)cc1OCC ZINC000181388461 821800322 /nfs/dbraw/zinc/80/03/22/821800322.db2.gz YSZLBAIYNNMYJL-ZDUSSCGKSA-N 1 0 396.940 4.166 20 0 GIADRO O[C@@H](C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1)c1cccc(Br)c1 ZINC000181389318 821800863 /nfs/dbraw/zinc/80/08/63/821800863.db2.gz LONDHODJDCXYDW-YSGRDPCXSA-N 1 0 390.321 4.240 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)c1cccc(Br)c1)c1ccccc1-n1cccn1 ZINC000181388916 821800899 /nfs/dbraw/zinc/80/08/99/821800899.db2.gz XVFTXGJOKLTOCX-IFXJQAMLSA-N 1 0 386.293 4.019 20 0 GIADRO CC(C)c1ccccc1OC[C@@H](O)C[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181392649 821802471 /nfs/dbraw/zinc/80/24/71/821802471.db2.gz LVKUYMYLPDXEIX-RXVVDRJESA-N 1 0 396.531 4.027 20 0 GIADRO OC[C@@H]([NH2+][C@@H]1CCSc2c(F)cccc21)c1cccc(Br)c1 ZINC000181392311 821802613 /nfs/dbraw/zinc/80/26/13/821802613.db2.gz ROASBSPMJMMQAT-HZPDHXFCSA-N 1 0 382.298 4.448 20 0 GIADRO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)cc1C ZINC000181392879 821803155 /nfs/dbraw/zinc/80/31/55/821803155.db2.gz HYRCILLSFNIUFZ-ZWKOTPCHSA-N 1 0 379.504 4.108 20 0 GIADRO C[C@@H]([NH2+][C@@H](CO)c1cccc(Br)c1)c1ccc(OC(F)F)cc1 ZINC000181392991 821803247 /nfs/dbraw/zinc/80/32/47/821803247.db2.gz NINISGYDSTZMMT-BZNIZROVSA-N 1 0 386.236 4.435 20 0 GIADRO OC[C@@H]([NH2+][C@@H]1CCSc2ccc(F)cc21)c1cccc(Br)c1 ZINC000181400479 821807529 /nfs/dbraw/zinc/80/75/29/821807529.db2.gz HMPZKSLZRSVYGG-HZPDHXFCSA-N 1 0 382.298 4.448 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+]CCc2coc(-c3ccc(C)cc3)n2)s1 ZINC000181408514 821810074 /nfs/dbraw/zinc/81/00/74/821810074.db2.gz LPHPFIUEULRSNB-OAHLLOKOSA-N 1 0 385.533 4.497 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1cccc2ccccc21)c1cccc(N2CCCC2=O)c1 ZINC000181412024 821811931 /nfs/dbraw/zinc/81/19/31/821811931.db2.gz XPHGKJUFJOQLKK-QGZVFWFLSA-N 1 0 387.483 4.256 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)Nc1ccc(F)cc1OCC(F)F ZINC000181415375 821813518 /nfs/dbraw/zinc/81/35/18/821813518.db2.gz POOYMMAPYYIWGT-HNNXBMFYSA-N 1 0 397.397 4.021 20 0 GIADRO COCCC[C@@H]([NH2+][C@@H](C)Cc1cc(C)n[nH]1)c1ccc(Br)cc1 ZINC000181422700 821819106 /nfs/dbraw/zinc/81/91/06/821819106.db2.gz BUSVJZQZDVRBTN-SCLBCKFNSA-N 1 0 380.330 4.169 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+][C@H]2CCN(Cc3ccccc3)[C@H](C)C2)s1 ZINC000181431950 821823517 /nfs/dbraw/zinc/82/35/17/821823517.db2.gz FATOSBCDZMBIHO-HLIPFELVSA-N 1 0 387.593 4.344 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+][C@H]2CCN(c3cccc(Cl)c3)C2)s1 ZINC000181432075 821824266 /nfs/dbraw/zinc/82/42/66/821824266.db2.gz MMNLNVDEHHJCPS-CJNGLKHVSA-N 1 0 379.957 4.223 20 0 GIADRO COc1ccc(-c2ncc(C(=O)N[C@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)s2)cc1 ZINC000181433632 821825045 /nfs/dbraw/zinc/82/50/45/821825045.db2.gz UHNNQAAWJIOJER-WBVHZDCISA-N 1 0 399.560 4.202 20 0 GIADRO O=C(CCCc1ccc2ccccc2c1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000181435714 821826454 /nfs/dbraw/zinc/82/64/54/821826454.db2.gz QZVQQSSHWTYSFK-RPWUZVMVSA-N 1 0 394.559 4.047 20 0 GIADRO C[C@H](NC(=O)c1cccc(OCc2cccnc2)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181445865 821829615 /nfs/dbraw/zinc/82/96/15/821829615.db2.gz UNKHAXJRWFGFMI-GHTZIAJQSA-N 1 0 393.531 4.043 20 0 GIADRO Cc1oc(-c2ccsc2)nc1CC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181446720 821829829 /nfs/dbraw/zinc/82/98/29/821829829.db2.gz PGQQICNBEAOSRW-ZBFHGGJFSA-N 1 0 387.549 4.023 20 0 GIADRO CC[C@H]([NH2+]CCc1nnc2n1CCCCC2)c1cc(F)cc(Br)c1 ZINC000181446646 821830080 /nfs/dbraw/zinc/83/00/80/821830080.db2.gz JACWRCTYHFWSDL-INIZCTEOSA-N 1 0 395.320 4.190 20 0 GIADRO C[N@@H+](Cc1ncc(-c2ccccc2Br)o1)C[C@H]1CCCC[C@@H]1O ZINC000181452789 821832544 /nfs/dbraw/zinc/83/25/44/821832544.db2.gz BXODHEPEQDAXIX-CJNGLKHVSA-N 1 0 379.298 4.087 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000181454397 821832896 /nfs/dbraw/zinc/83/28/96/821832896.db2.gz SZFWCKJCQXIYMK-VVFCZOMOSA-N 1 0 375.563 4.219 20 0 GIADRO Cc1ccc([C@H](OC[C@H](O)C[N@H+](C)CCc2ccncc2)c2ccccc2)cc1 ZINC000181459919 821835784 /nfs/dbraw/zinc/83/57/84/821835784.db2.gz VMJAAIZYZPROKO-JWQCQUIFSA-N 1 0 390.527 4.031 20 0 GIADRO C[N@@H+](Cc1ncc(-c2cccc(Br)c2)o1)C[C@@H]1CCCC[C@@H]1O ZINC000181461637 821836944 /nfs/dbraw/zinc/83/69/44/821836944.db2.gz HDBJTBAISCQYFC-HOCLYGCPSA-N 1 0 379.298 4.087 20 0 GIADRO CCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2cc3c(ccc4ccccc34)o2)CC1 ZINC000181462522 821837850 /nfs/dbraw/zinc/83/78/50/821837850.db2.gz ZNSYREVCNMBCGA-HNNXBMFYSA-N 1 0 386.517 4.051 20 0 GIADRO CCc1c2cc(C)ccc2oc1[C@@H](C)[NH2+]Cc1cccnc1N1CCOCC1 ZINC000181470990 821840773 /nfs/dbraw/zinc/84/07/73/821840773.db2.gz ZLAMUSKNQXFYAQ-QGZVFWFLSA-N 1 0 379.504 4.386 20 0 GIADRO C[C@H](NC(=O)CCc1cc(Br)cs1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181471061 821841304 /nfs/dbraw/zinc/84/13/04/821841304.db2.gz MHRQDLBTZUNZCC-UONOGXRCSA-N 1 0 399.398 4.212 20 0 GIADRO C[C@@H](NC(=O)CCCOc1ccc(Cl)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181486218 821848157 /nfs/dbraw/zinc/84/81/57/821848157.db2.gz DARBMSUMBNWQOX-IAGOWNOFSA-N 1 0 378.944 4.268 20 0 GIADRO COc1ccc(NC(=O)C[NH2+][C@@H](c2ccccc2F)C2CCCC2)c(OC)c1 ZINC000181486962 821848178 /nfs/dbraw/zinc/84/81/78/821848178.db2.gz SPOMMJJHLZSIGF-JOCHJYFZSA-N 1 0 386.467 4.303 20 0 GIADRO C[C@@H](NC(=O)CCCc1nc2ccccc2s1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181498699 821855183 /nfs/dbraw/zinc/85/51/83/821855183.db2.gz IFFCIOJIHKRBMH-SJORKVTESA-N 1 0 385.577 4.388 20 0 GIADRO C[C@H]([NH2+][C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1cccc(O)c1 ZINC000181506927 821858432 /nfs/dbraw/zinc/85/84/32/821858432.db2.gz ARWMDTJNJUMNMR-LIRRHRJNSA-N 1 0 392.421 4.253 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)c1cccc(O)c1 ZINC000181522648 821865417 /nfs/dbraw/zinc/86/54/17/821865417.db2.gz XSLOYDDUUAIBIE-MWTRTKDXSA-N 1 0 392.524 4.279 20 0 GIADRO COc1cc(Br)c(C[NH2+]Cc2cccc3cnccc32)cc1OC ZINC000181524688 821865987 /nfs/dbraw/zinc/86/59/87/821865987.db2.gz ZTBGTIGRMTVXBO-UHFFFAOYSA-N 1 0 387.277 4.304 20 0 GIADRO CCOc1cccc2cc([C@@H](C)[NH2+]Cc3cccc(OCC(=O)N(C)C)c3)oc21 ZINC000181530845 821868431 /nfs/dbraw/zinc/86/84/31/821868431.db2.gz DJESZQIYEUQLMO-MRXNPFEDSA-N 1 0 396.487 4.149 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+][C@@H](C)Cc2cc(C)nn2-c2ccccc2)s1 ZINC000181531784 821869816 /nfs/dbraw/zinc/86/98/16/821869816.db2.gz GJYMOYUGOYOASW-DOTOQJQBSA-N 1 0 398.576 4.416 20 0 GIADRO C[C@@H](NC(=O)CSCc1cccc(Cl)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181533265 821870711 /nfs/dbraw/zinc/87/07/11/821870711.db2.gz BBOIOMMTBUHDES-NVXWUHKLSA-N 1 0 380.985 4.342 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCO2)[C@H](OC1CCOCC1)c1ccccc1 ZINC000181536116 821871766 /nfs/dbraw/zinc/87/17/66/821871766.db2.gz UVDVMTWGQRPBEI-RHGYRFJNSA-N 1 0 397.515 4.434 20 0 GIADRO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H](C)[C@H](O)Cc1ccccc1 ZINC000181550429 821877400 /nfs/dbraw/zinc/87/74/00/821877400.db2.gz RLRZTSNQOKNNOV-ZRGWGRIASA-N 1 0 394.437 4.004 20 0 GIADRO C[C@H]([NH2+]C[C@H](c1ccccc1)C(C)(C)CO)c1ccc(N2CCOC2=O)cc1 ZINC000181554054 821879077 /nfs/dbraw/zinc/87/90/77/821879077.db2.gz PTSAYJNOLRDGMO-LAUBAEHRSA-N 1 0 382.504 4.096 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1cc2cc(Cl)ccc2o1 ZINC000181556300 821880041 /nfs/dbraw/zinc/88/00/41/821880041.db2.gz BKFFDUUCQQSBRJ-ZDUSSCGKSA-N 1 0 392.908 4.187 20 0 GIADRO OCC1(C[NH2+][C@@H]2CCCc3nc(-c4ccc(Cl)cc4)sc32)CCOCC1 ZINC000181565586 821883296 /nfs/dbraw/zinc/88/32/96/821883296.db2.gz ZXCHYDPUKJQJIP-MRXNPFEDSA-N 1 0 392.952 4.220 20 0 GIADRO COc1ccc([C@H](C)[NH2+]Cc2ccccc2-n2ccnc2)c(Br)c1 ZINC000181568673 821883708 /nfs/dbraw/zinc/88/37/08/821883708.db2.gz QEVKMNRSRDQRMX-AWEZNQCLSA-N 1 0 386.293 4.494 20 0 GIADRO CC(=O)c1cccc(NC(=O)C[NH2+][C@H](C)c2ccc(OCC3CC3)c(F)c2)c1 ZINC000181579928 821887657 /nfs/dbraw/zinc/88/76/57/821887657.db2.gz FALWWIMUGFBIMM-CQSZACIVSA-N 1 0 384.451 4.106 20 0 GIADRO CCOc1ccccc1NC(=O)C[NH2+][C@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000181585376 821890821 /nfs/dbraw/zinc/89/08/21/821890821.db2.gz XSJITRFOGQZECC-OAHLLOKOSA-N 1 0 386.467 4.303 20 0 GIADRO COc1ccc([C@H](C)[NH2+]Cc2ccc(-n3ccnc3)cc2)c(Br)c1 ZINC000181591246 821893360 /nfs/dbraw/zinc/89/33/60/821893360.db2.gz WUOSMEBYRUSNMF-AWEZNQCLSA-N 1 0 386.293 4.494 20 0 GIADRO Cc1cc2ncc([C@@H](C)[NH2+]Cc3cccc(COCC(F)(F)F)c3)c(C)n2n1 ZINC000181596885 821896022 /nfs/dbraw/zinc/89/60/22/821896022.db2.gz UAMKECJALABRTH-CQSZACIVSA-N 1 0 392.425 4.276 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(COCC(F)(F)F)c1)c1ccc([S@](C)=O)cc1 ZINC000181596547 821896220 /nfs/dbraw/zinc/89/62/20/821896220.db2.gz WFUUOGVDHUTOKR-RXBISOJRSA-N 1 0 385.451 4.354 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(COC2CCOCC2)cc1)c1ccc(F)cc1N(C)C ZINC000181610996 821902511 /nfs/dbraw/zinc/90/25/11/821902511.db2.gz IYVQYVJZKBGVLA-QGZVFWFLSA-N 1 0 386.511 4.438 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)CCc3ccc4[nH]ccc4c3)cc2)CC1 ZINC000181616613 821905548 /nfs/dbraw/zinc/90/55/48/821905548.db2.gz FSZUADAEGIUSKG-UHFFFAOYSA-N 1 0 390.531 4.270 20 0 GIADRO Cc1noc(C)c1[C@@H](C)C[NH2+][C@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000181626885 821910701 /nfs/dbraw/zinc/91/07/01/821910701.db2.gz KWELAKYRROIGGK-NWDGAFQWSA-N 1 0 383.414 4.421 20 0 GIADRO Cc1noc(C)c1[C@@H](C)C[NH2+][C@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000181627085 821910775 /nfs/dbraw/zinc/91/07/75/821910775.db2.gz HFOJKXLAHXTJLL-NWDGAFQWSA-N 1 0 399.413 4.300 20 0 GIADRO Cc1noc(C)c1[C@H](C)C[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000181626868 821910806 /nfs/dbraw/zinc/91/08/06/821910806.db2.gz KWELAKYRROIGGK-NEPJUHHUSA-N 1 0 383.414 4.421 20 0 GIADRO Cc1noc(C)c1[C@@H](C)C[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000181626846 821910818 /nfs/dbraw/zinc/91/08/18/821910818.db2.gz KWELAKYRROIGGK-RYUDHWBXSA-N 1 0 383.414 4.421 20 0 GIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NCc2nc3ccccc3s2)CC1 ZINC000181627325 821911306 /nfs/dbraw/zinc/91/13/06/821911306.db2.gz PUHGNDPDXNJFCA-MRXNPFEDSA-N 1 0 398.551 4.428 20 0 GIADRO Cc1noc(C)c1[C@@H](C)C[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000181629631 821912480 /nfs/dbraw/zinc/91/24/80/821912480.db2.gz LCYGRZCQHYHHEE-GJZGRUSLSA-N 1 0 390.549 4.462 20 0 GIADRO Cc1ccc([C@@H](OC[C@H](O)C[NH2+][C@@H](C)c2cccnc2)c2ccccc2)cc1 ZINC000181633396 821914425 /nfs/dbraw/zinc/91/44/25/821914425.db2.gz PPZFGVSAVIMPER-IEXUWNMDSA-N 1 0 376.500 4.208 20 0 GIADRO CCOc1cccc2cc([C@@H](C)[NH2+]Cc3cccc(CS(C)(=O)=O)c3)oc21 ZINC000181639576 821917980 /nfs/dbraw/zinc/91/79/80/821917980.db2.gz QWEJEBADAVXMDZ-OAHLLOKOSA-N 1 0 387.501 4.227 20 0 GIADRO C[C@H]([NH2+]CC1([C@@H](O)c2ccccc2)CC1)c1ccc(OCc2nccn2C)cc1 ZINC000181646301 821920757 /nfs/dbraw/zinc/92/07/57/821920757.db2.gz VSBAANXTPDVSIP-MBSDFSHPSA-N 1 0 391.515 4.164 20 0 GIADRO O=C(CC[N@@H+]1CCC[C@@H]1c1cccc(F)c1)Nc1cc([N+](=O)[O-])ccc1F ZINC000181649707 821922030 /nfs/dbraw/zinc/92/20/30/821922030.db2.gz PNMSHXLOKQWWJC-GOSISDBHSA-N 1 0 375.375 4.039 20 0 GIADRO COc1ccc(Cl)cc1N1CC[C@@H]([NH2+][C@H](C)c2ccc(OCC#N)cc2)C1 ZINC000181658196 821927485 /nfs/dbraw/zinc/92/74/85/821927485.db2.gz NDZIPPFWUNJQIF-CRAIPNDOSA-N 1 0 385.895 4.180 20 0 GIADRO CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H](C)c1ccccc1OC(F)F ZINC000181658933 821927519 /nfs/dbraw/zinc/92/75/19/821927519.db2.gz LTUZJVRRVFKRBG-CABCVRRESA-N 1 0 383.460 4.191 20 0 GIADRO C[C@@H](NC(=O)CCCc1ncc(-c2ccccc2)o1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181665939 821932665 /nfs/dbraw/zinc/93/26/65/821932665.db2.gz OZYKUWXEMCQGTB-UYAOXDASSA-N 1 0 395.547 4.434 20 0 GIADRO C[C@H]([NH2+]CC(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1)c1cccnc1 ZINC000181667163 821933455 /nfs/dbraw/zinc/93/34/55/821933455.db2.gz OYHOPEWLLACNFF-KSFYIVLOSA-N 1 0 379.891 4.291 20 0 GIADRO CC[C@H](Oc1ccccc1Cl)C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181670512 821935483 /nfs/dbraw/zinc/93/54/83/821935483.db2.gz IWVNXVXUDGWNHY-MDZRGWNJSA-N 1 0 378.944 4.267 20 0 GIADRO COc1ccc(-c2cncc(C(=O)N[C@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)c2)cc1 ZINC000181670668 821936536 /nfs/dbraw/zinc/93/65/36/821936536.db2.gz BGVIHFJBVVCCHE-IEBWSBKVSA-N 1 0 393.531 4.140 20 0 GIADRO COC(=O)c1ccc(C[NH2+][C@H]2CCSc3ccc(Cl)cc32)cc1OC ZINC000181687661 821944793 /nfs/dbraw/zinc/94/47/93/821944793.db2.gz VSAHXYKKUGMLSQ-INIZCTEOSA-N 1 0 377.893 4.462 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)cc1NC(C)=O ZINC000181708605 821953247 /nfs/dbraw/zinc/95/32/47/821953247.db2.gz KIZXUAQMEHCLOL-MMOPVJDHSA-N 1 0 382.504 4.472 20 0 GIADRO C[C@@H]([NH2+]CCOCc1ccc(Cl)cc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000181712283 821955835 /nfs/dbraw/zinc/95/58/35/821955835.db2.gz XAKSWOJNODYZLK-OAHLLOKOSA-N 1 0 387.911 4.491 20 0 GIADRO COc1ccc(NC(=O)C[NH2+][C@@H](CC(C)C)c2ccccc2OC)cc1OC ZINC000181715400 821957705 /nfs/dbraw/zinc/95/77/05/821957705.db2.gz KQVRSPRQZOBXNO-SFHVURJKSA-N 1 0 386.492 4.028 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3c(C)cc(C)nc3Cl)c(C)c2)CC1 ZINC000181722430 821961293 /nfs/dbraw/zinc/96/12/93/821961293.db2.gz ABDIHFYAEXLMJG-UHFFFAOYSA-N 1 0 386.927 4.054 20 0 GIADRO COc1ccc(-c2nc3c(s2)[C@@H]([NH2+]Cc2cccc(N(C)C)n2)CCC3)cc1 ZINC000181733900 821967482 /nfs/dbraw/zinc/96/74/82/821967482.db2.gz PJHDEJKIMJLZCV-SFHVURJKSA-N 1 0 394.544 4.447 20 0 GIADRO C[C@H]1C[C@@H]([N@H+](C)CC2CCN(C(=O)C(C)(C)C)CC2)CCN1Cc1ccccc1 ZINC000181737008 821969524 /nfs/dbraw/zinc/96/95/24/821969524.db2.gz XHRXTFBAWITPRL-REWPJTCUSA-N 1 0 399.623 4.256 20 0 GIADRO CC[C@H]([NH2+]Cc1ccc(-c2ccccc2)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000181747481 821974466 /nfs/dbraw/zinc/97/44/66/821974466.db2.gz VHZDJAFKKHAVMO-QFIPXVFZSA-N 1 0 380.513 4.242 20 0 GIADRO CC(C)(C)C(=O)N1CCC(C[N@@H+]2CCn3cccc3[C@H]2c2ccccc2)CC1 ZINC000181748498 821975046 /nfs/dbraw/zinc/97/50/46/821975046.db2.gz ZFSNBBAFISXTBN-JOCHJYFZSA-N 1 0 379.548 4.178 20 0 GIADRO C[C@@H]([NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl)c1cncc(F)c1 ZINC000181768610 821984596 /nfs/dbraw/zinc/98/45/96/821984596.db2.gz PIJKBFCNNPZZAU-SNVBAGLBSA-N 1 0 377.769 4.408 20 0 GIADRO CCS(=O)(=O)c1ccc2oc(C[NH2+][C@@H](C)C(C)(C)c3ccccc3)nc2c1 ZINC000181785584 821991372 /nfs/dbraw/zinc/99/13/72/821991372.db2.gz XIEJENUSDRLGNN-HNNXBMFYSA-N 1 0 386.517 4.077 20 0 GIADRO CCN(CC)C(=O)C[C@H](C)[NH2+]CCc1csc(-c2ccc(Cl)cc2)n1 ZINC000181797757 821996816 /nfs/dbraw/zinc/99/68/16/821996816.db2.gz NSAUBZJXFCXASA-AWEZNQCLSA-N 1 0 379.957 4.243 20 0 GIADRO Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1 ZINC000181800576 821998227 /nfs/dbraw/zinc/99/82/27/821998227.db2.gz CCWBBUNXQQAOPQ-AEFFLSMTSA-N 1 0 388.458 4.296 20 0 GIADRO O=C1C[C@@H](C[NH2+][C@@H]2CC3(CCCC3)Oc3ccccc32)CN1Cc1ccccc1 ZINC000181808936 822001524 /nfs/dbraw/zinc/00/15/24/822001524.db2.gz JBRWPXHNIWWSMU-RBBKRZOGSA-N 1 0 390.527 4.461 20 0 GIADRO CC(C)COc1ccc([C@H](C)[NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 ZINC000181810185 822002164 /nfs/dbraw/zinc/00/21/64/822002164.db2.gz GUYXJJNKCBNJQT-PZJWPPBQSA-N 1 0 380.532 4.421 20 0 GIADRO C[C@H](C[NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1)c1nc(-c2ccccc2)no1 ZINC000181846839 822015913 /nfs/dbraw/zinc/01/59/13/822015913.db2.gz WAEOFZMBGARLQV-IAGOWNOFSA-N 1 0 390.487 4.318 20 0 GIADRO C[C@@H]([NH2+]C[C@H](C)Oc1ccccc1Br)c1ccc(OCC#N)cc1 ZINC000181858125 822018218 /nfs/dbraw/zinc/01/82/18/822018218.db2.gz AXFTUVBCKIAHQA-LSDHHAIUSA-N 1 0 389.293 4.470 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N[C@@H](c1ccccc1)C1CC1)c1cccc(N2CCCC2)c1 ZINC000181868069 822021229 /nfs/dbraw/zinc/02/12/29/822021229.db2.gz GIVGAEWDNYUTMI-KOSHJBKYSA-N 1 0 377.532 4.205 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1nc2ccccc2s1)c1cccc(N2CCCC2)c1 ZINC000181868403 822021298 /nfs/dbraw/zinc/02/12/98/822021298.db2.gz AUSMLPQQSJZMLJ-OAHLLOKOSA-N 1 0 380.517 4.186 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)c1cccc(Br)c1)c1cccc(N2CCCC2)c1 ZINC000181870143 822021655 /nfs/dbraw/zinc/02/16/55/822021655.db2.gz BXXYRHDEGSFWOI-FOIQADDNSA-N 1 0 389.337 4.434 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)Cc2ccccc2C(F)(F)F)[C@H](C)C1 ZINC000181882987 822025903 /nfs/dbraw/zinc/02/59/03/822025903.db2.gz ABRWEQLAFZVMGW-VKJFTORMSA-N 1 0 385.474 4.008 20 0 GIADRO C[C@@H]([NH2+]C[C@H](O)COCc1ccccc1Cl)c1cccc(N2CCCC2)c1 ZINC000181884087 822026265 /nfs/dbraw/zinc/02/62/65/822026265.db2.gz SXUFFONLRSPOBU-UTKZUKDTSA-N 1 0 388.939 4.169 20 0 GIADRO CC(C)Sc1ccc(Cl)cc1NC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000181893042 822029015 /nfs/dbraw/zinc/02/90/15/822029015.db2.gz XAKCCMJZQWHADQ-UHFFFAOYSA-N 1 0 399.988 4.151 20 0 GIADRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cccc(OC(F)(F)F)c2)c(C#N)c1C ZINC000181908854 822034035 /nfs/dbraw/zinc/03/40/35/822034035.db2.gz QGFIKHIWCHUTJL-RYUDHWBXSA-N 1 0 395.381 4.345 20 0 GIADRO COc1ccc(OC)c([C@H](C)[NH2+][C@H](C)C(=O)N2CCC[C@@H]2c2cccs2)c1 ZINC000181953607 822044511 /nfs/dbraw/zinc/04/45/11/822044511.db2.gz KMWOAEOEPKYVML-HDMKZQKVSA-N 1 0 388.533 4.168 20 0 GIADRO CCC(CC)[C@H]1C[C@@H](NC(=O)N(CC)Cc2ccc(C[NH+](C)C)cc2)CCO1 ZINC000181958727 822046017 /nfs/dbraw/zinc/04/60/17/822046017.db2.gz PZYWEBZVRQYRCN-FCHUYYIVSA-N 1 0 389.584 4.264 20 0 GIADRO CCC(CC)[C@@H]1C[C@H](NC(=O)N(CC)Cc2ccc(C[NH+](C)C)cc2)CCO1 ZINC000181958674 822046073 /nfs/dbraw/zinc/04/60/73/822046073.db2.gz PZYWEBZVRQYRCN-YADHBBJMSA-N 1 0 389.584 4.264 20 0 GIADRO C[N@H+](CCCc1ccccc1Br)Cc1ccc([S@](C)=O)cc1 ZINC000181960668 822046898 /nfs/dbraw/zinc/04/68/98/822046898.db2.gz FDEPGVSWHJKYFR-QFIPXVFZSA-N 1 0 380.351 4.251 20 0 GIADRO COC(=O)c1cc(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C(C)C)c(C)s1 ZINC000181989312 822055035 /nfs/dbraw/zinc/05/50/35/822055035.db2.gz KPSAZNLHYZIQQA-IBGZPJMESA-N 1 0 375.490 4.101 20 0 GIADRO COc1ccc(C2(C[NH2+][C@@H]3CCCOc4cc(F)ccc43)CCOCC2)cc1 ZINC000181994091 822056897 /nfs/dbraw/zinc/05/68/97/822056897.db2.gz OFMAFEQEKCROMB-OAQYLSRUSA-N 1 0 385.479 4.386 20 0 GIADRO C[C@H]([NH2+]CCOc1ccc(Br)cc1)c1ccc(OCC#N)cc1 ZINC000182006144 822059636 /nfs/dbraw/zinc/05/96/36/822059636.db2.gz UJKGJXJRKYUORX-AWEZNQCLSA-N 1 0 375.266 4.081 20 0 GIADRO COCc1nc2n(n1)C[C@H]([NH2+][C@@H](CC(C)(C)C)c1ccc(Cl)cc1)CC2 ZINC000182012887 822062316 /nfs/dbraw/zinc/06/23/16/822062316.db2.gz HFWLUISHAAZTTN-SJORKVTESA-N 1 0 376.932 4.160 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1nccs1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000182012781 822062450 /nfs/dbraw/zinc/06/24/50/822062450.db2.gz HCXWTQUETDKKOC-AWEZNQCLSA-N 1 0 385.464 4.151 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N(C)c1nccs1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000182018877 822064686 /nfs/dbraw/zinc/06/46/86/822064686.db2.gz VKPPZZYNBMMIDV-OAHLLOKOSA-N 1 0 399.491 4.175 20 0 GIADRO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000182021580 822065323 /nfs/dbraw/zinc/06/53/23/822065323.db2.gz VRAFBGKZPYHVKZ-CLCXKQKWSA-N 1 0 391.357 4.029 20 0 GIADRO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000182021618 822065398 /nfs/dbraw/zinc/06/53/98/822065398.db2.gz VRAFBGKZPYHVKZ-SPYBWZPUSA-N 1 0 391.357 4.029 20 0 GIADRO COCCC(=O)N1CCC([NH2+][C@H](CC(C)(C)C)c2ccc(Cl)cc2)CC1 ZINC000182030146 822067932 /nfs/dbraw/zinc/06/79/32/822067932.db2.gz HYSXKIZHPSUKIY-LJQANCHMSA-N 1 0 380.960 4.434 20 0 GIADRO COc1ccc(CC[NH2+][C@H](C)c2ccc(NC(C)=O)cc2)cc1OC(F)F ZINC000182044905 822071664 /nfs/dbraw/zinc/07/16/64/822071664.db2.gz UYWVCRMWTLVGHG-CYBMUJFWSA-N 1 0 378.419 4.148 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(C(=O)Nc2ccccc2)cc1)c1ccc(-n2ccnn2)cc1 ZINC000182044361 822071799 /nfs/dbraw/zinc/07/17/99/822071799.db2.gz BDDCTLGNRHIYRJ-GOSISDBHSA-N 1 0 397.482 4.370 20 0 GIADRO O=C(Nc1ccc(Cl)cc1Br)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000182044005 822071994 /nfs/dbraw/zinc/07/19/94/822071994.db2.gz VHAWLJOPJDOOOF-LBPRGKRZSA-N 1 0 386.721 4.052 20 0 GIADRO O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)c1cc2cc(F)ccc2s1 ZINC000182057410 822076925 /nfs/dbraw/zinc/07/69/25/822076925.db2.gz JASLIPYUMFGEFY-UHFFFAOYSA-N 1 0 384.476 4.249 20 0 GIADRO C[C@@H](Cc1ccccc1Cl)C(=O)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC000182063319 822078743 /nfs/dbraw/zinc/07/87/43/822078743.db2.gz MRDLFQACDDWGPU-INIZCTEOSA-N 1 0 386.923 4.114 20 0 GIADRO Cc1cc(C)c(C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c(Cl)n1 ZINC000182065479 822079631 /nfs/dbraw/zinc/07/96/31/822079631.db2.gz KMXUWKQXNWQKOA-PBHICJAKSA-N 1 0 377.941 4.226 20 0 GIADRO COC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(OC)c(Br)c2)cc1F ZINC000182068284 822080499 /nfs/dbraw/zinc/08/04/99/822080499.db2.gz AXFNEOYEWRUNCI-NSHDSACASA-N 1 0 396.256 4.234 20 0 GIADRO C[S@](=O)C[C@H]([NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1)c1ccccc1 ZINC000182102986 822094944 /nfs/dbraw/zinc/09/49/44/822094944.db2.gz HDEMSWRUAURWAT-BVZFJXPGSA-N 1 0 396.339 4.479 20 0 GIADRO CCNC(=O)c1cccc(NC(=O)C[NH2+][C@H](C)c2ccc(SC(C)C)cc2)c1 ZINC000182109395 822097590 /nfs/dbraw/zinc/09/75/90/822097590.db2.gz FXSLMVUKCBMRNL-MRXNPFEDSA-N 1 0 399.560 4.226 20 0 GIADRO Cc1cccc([C@H](NC(=O)NCC[C@H](C)[NH+]2CCCCC2)c2ccccn2)c1 ZINC000182111469 822098107 /nfs/dbraw/zinc/09/81/07/822098107.db2.gz MLJZOHTWBPLCFQ-UGKGYDQZSA-N 1 0 380.536 4.043 20 0 GIADRO COC(=O)c1ccc(F)c(C[NH2+][C@@H](C)c2ccc(OCC(F)(F)F)cc2)c1 ZINC000182111320 822098125 /nfs/dbraw/zinc/09/81/25/822098125.db2.gz FBHJHSWEEKAVCI-LBPRGKRZSA-N 1 0 385.357 4.404 20 0 GIADRO CC(C)Sc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000182111524 822098703 /nfs/dbraw/zinc/09/87/03/822098703.db2.gz FQEHXVSBHVZAEP-KBPBESRZSA-N 1 0 398.532 4.035 20 0 GIADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]Cc1ccc(Cl)cn1 ZINC000182121125 822102953 /nfs/dbraw/zinc/10/29/53/822102953.db2.gz LEEJUKXDABRGAH-LLVKDONJSA-N 1 0 382.689 4.004 20 0 GIADRO CC(=O)Nc1ccc([C@@H](C)[NH2+]CCOc2ccc(Br)cc2)cc1 ZINC000182128977 822107714 /nfs/dbraw/zinc/10/77/14/822107714.db2.gz DNEWCVIOLIDATF-CYBMUJFWSA-N 1 0 377.282 4.137 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1)c1ccc(-n2cncn2)cc1 ZINC000182141877 822114240 /nfs/dbraw/zinc/11/42/40/822114240.db2.gz QSNSDVYCNNLIBZ-MRXNPFEDSA-N 1 0 378.476 4.073 20 0 GIADRO CCCC[N@H+](CCCO)[C@@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000182143258 822114697 /nfs/dbraw/zinc/11/46/97/822114697.db2.gz MEFHTHSWWLUSFL-LBPRGKRZSA-N 1 0 380.838 4.170 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1ccc(N2CCOC2=O)cc1 ZINC000182157912 822122413 /nfs/dbraw/zinc/12/24/13/822122413.db2.gz PWUNPSRPZARXSY-CJMONDIMSA-N 1 0 388.414 4.102 20 0 GIADRO CNC(=O)CC1CC[NH+](Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)CC1 ZINC000182195765 822141520 /nfs/dbraw/zinc/14/15/20/822141520.db2.gz LJZWOWDFZTUNIB-UHFFFAOYSA-N 1 0 380.410 4.314 20 0 GIADRO CN(C)C(=O)CC1CC[NH+](CCCCOc2ccccc2C(F)(F)F)CC1 ZINC000182197663 822142415 /nfs/dbraw/zinc/14/24/15/822142415.db2.gz VIJCZSLPFQZANF-UHFFFAOYSA-N 1 0 386.458 4.055 20 0 GIADRO CC(C)[C@H](Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1)c1ccc(F)c(F)c1 ZINC000182202658 822145273 /nfs/dbraw/zinc/14/52/73/822145273.db2.gz NNBPIUMBBINWNH-RTWAWAEBSA-N 1 0 387.474 4.224 20 0 GIADRO CC(=O)Nc1ccc([C@H](C)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)cc1 ZINC000182203124 822145294 /nfs/dbraw/zinc/14/52/94/822145294.db2.gz KIAPGGGZYZVAJA-KRWDZBQOSA-N 1 0 381.520 4.022 20 0 GIADRO COC(=O)[C@H](C)Oc1ccc(C[NH2+]C2(c3ccc(OC)cc3)CCCC2)cc1 ZINC000182209326 822148498 /nfs/dbraw/zinc/14/84/98/822148498.db2.gz MKSXYMTZPCOSBX-KRWDZBQOSA-N 1 0 383.488 4.195 20 0 GIADRO CC(=O)Nc1ccc([C@H](C)[NH2+][C@H](C)c2c(C)nn(CC(F)(F)F)c2C)cc1 ZINC000182223407 822154797 /nfs/dbraw/zinc/15/47/97/822154797.db2.gz HDVJCLDMDSVKFG-NWDGAFQWSA-N 1 0 382.430 4.432 20 0 GIADRO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cc(Cl)sc1Cl ZINC000182268692 822179923 /nfs/dbraw/zinc/17/99/23/822179923.db2.gz OCKWMDJBJQYYQV-WFASDCNBSA-N 1 0 385.360 4.472 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)NCc2cn(C)nc2-c2ccccc2)cc1)C(C)C ZINC000182294307 822190580 /nfs/dbraw/zinc/19/05/80/822190580.db2.gz RZXWACMBBXRWMS-UHFFFAOYSA-N 1 0 390.531 4.247 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCCC[C@@H]2c2cn[nH]c2)C1 ZINC000182304899 822195293 /nfs/dbraw/zinc/19/52/93/822195293.db2.gz DHOIVSFQIYOQPG-XMSQKQJNSA-N 1 0 395.551 4.078 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1Cc1ccccc1)c1ccc2c(c1)OCO2 ZINC000182305878 822195747 /nfs/dbraw/zinc/19/57/47/822195747.db2.gz KLFHHWJIGGUMSW-QGZVFWFLSA-N 1 0 388.467 4.295 20 0 GIADRO CCOc1ccc(-c2nc(C[NH2+][C@@H](CC)[C@@H]3CCCO3)cs2)cc1OC ZINC000182309178 822197833 /nfs/dbraw/zinc/19/78/33/822197833.db2.gz FNAMVMBGGYRQKS-IRXDYDNUSA-N 1 0 376.522 4.265 20 0 GIADRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)c1 ZINC000182344807 822209406 /nfs/dbraw/zinc/20/94/06/822209406.db2.gz VJLIXVHFTSFHHP-RYUDHWBXSA-N 1 0 382.382 4.097 20 0 GIADRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)c1 ZINC000182359640 822214575 /nfs/dbraw/zinc/21/45/75/822214575.db2.gz LCVIQITZOKVAJP-VXGBXAGGSA-N 1 0 397.302 4.236 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)CCc3ccccc3Cl)cc2)CC1 ZINC000182361025 822214873 /nfs/dbraw/zinc/21/48/73/822214873.db2.gz OXSVKSIGLMYNOY-UHFFFAOYSA-N 1 0 385.939 4.442 20 0 GIADRO Cc1[nH]c2ccccc2c1CC(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000182363614 822216224 /nfs/dbraw/zinc/21/62/24/822216224.db2.gz KQLPKOGSZGZCJR-UHFFFAOYSA-N 1 0 390.531 4.188 20 0 GIADRO Cc1cccc(OCCCC(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)c1 ZINC000182372312 822219453 /nfs/dbraw/zinc/21/94/53/822219453.db2.gz SXFUJUSBKDEMQJ-UHFFFAOYSA-N 1 0 395.547 4.323 20 0 GIADRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)c1 ZINC000182413124 822234058 /nfs/dbraw/zinc/23/40/58/822234058.db2.gz KTTHJWRQPROICS-KKUMJFAQSA-N 1 0 382.460 4.064 20 0 GIADRO COc1ccc(CN(C)C(=O)C[NH2+][C@@H](C)c2ccc(C(F)(F)F)cc2)cc1 ZINC000182427270 822239586 /nfs/dbraw/zinc/23/95/86/822239586.db2.gz URQICUZFWCBIHK-AWEZNQCLSA-N 1 0 380.410 4.023 20 0 GIADRO FC(F)Sc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cccnc1-n1cncn1 ZINC000182437043 822242201 /nfs/dbraw/zinc/24/22/01/822242201.db2.gz QFNCRKYFRCVHPE-QGZVFWFLSA-N 1 0 387.459 4.144 20 0 GIADRO CCc1ccc(Cl)c(CC)c1NC(=O)CCC[N@@H+](CC)Cc1cnn(C)c1 ZINC000177951721 822255398 /nfs/dbraw/zinc/25/53/98/822255398.db2.gz FQXGYULITMFBSV-UHFFFAOYSA-N 1 0 390.959 4.439 20 0 GIADRO COCc1ccsc1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000182476766 822257429 /nfs/dbraw/zinc/25/74/29/822257429.db2.gz HAVWVQTWAQRPSH-UYAOXDASSA-N 1 0 384.545 4.021 20 0 GIADRO Cc1c([C@@H](C)[NH2+][C@H](C)c2ccc(OC(F)F)cc2OC(F)F)cnn1C ZINC000177962913 822259502 /nfs/dbraw/zinc/25/95/02/822259502.db2.gz YROUOHHZSBHUHI-NXEZZACHSA-N 1 0 375.366 4.343 20 0 GIADRO COc1ccc(C[C@H]([NH2+]CCc2c(C)noc2C)c2ccc(OC)cc2)cc1 ZINC000177983393 822269263 /nfs/dbraw/zinc/26/92/63/822269263.db2.gz JYAFOMGRSNJHCR-QHCPKHFHSA-N 1 0 380.488 4.425 20 0 GIADRO COc1ccc(C(=O)NC2CC[NH+](C3CCCC3)CC2)cc1OC1CCCC1 ZINC000182510819 822275133 /nfs/dbraw/zinc/27/51/33/822275133.db2.gz HQIAAWKWCRLKQG-UHFFFAOYSA-N 1 0 386.536 4.153 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(N(C)Cc3ccccc3)cc2)C1 ZINC000178019135 822284352 /nfs/dbraw/zinc/28/43/52/822284352.db2.gz ONAGZADHPWRKRJ-HXUWFJFHSA-N 1 0 380.536 4.129 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CC(=O)N(Cc2ccccc2)C(C)(C)C)c1 ZINC000182531827 822286269 /nfs/dbraw/zinc/28/62/69/822286269.db2.gz QFHSADHQQWRPHQ-QGZVFWFLSA-N 1 0 381.520 4.123 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(OCc3cccc(C)c3)c2)C1 ZINC000178035180 822292096 /nfs/dbraw/zinc/29/20/96/822292096.db2.gz GHRHFXIKFQFTAD-HXUWFJFHSA-N 1 0 381.520 4.380 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+]CC(=O)N2CC[C@H](C)Sc3ccccc32)c1 ZINC000182543375 822293578 /nfs/dbraw/zinc/29/35/78/822293578.db2.gz BTHZBAZREDTJNH-HOTGVXAUSA-N 1 0 397.544 4.213 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+]CC(=O)N(C)[C@H](C)c2cc3ccccc3o2)c1 ZINC000182547303 822295569 /nfs/dbraw/zinc/29/55/69/822295569.db2.gz OFBYHFGGQLODJZ-JKSUJKDBSA-N 1 0 393.487 4.261 20 0 GIADRO Cc1nc(C)c([C@@H](C)[NH2+]C2CCN(c3ccc(C(F)(F)F)cn3)CC2)s1 ZINC000178043177 822296241 /nfs/dbraw/zinc/29/62/41/822296241.db2.gz FXENVWBQEFZZPD-GFCCVEGCSA-N 1 0 384.471 4.493 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CC(=O)N[C@H](c2ccccc2)C2CCCC2)c1 ZINC000182551057 822297611 /nfs/dbraw/zinc/29/76/11/822297611.db2.gz QVXASCQVBJFLIM-MZNJEOGPSA-N 1 0 393.531 4.343 20 0 GIADRO CCN(C(=O)C[NH2+][C@H](C)c1cccc(NC(C)=O)c1)[C@H](C)c1ccc(F)cc1 ZINC000182550973 822297778 /nfs/dbraw/zinc/29/77/78/822297778.db2.gz LTHYCPUEVGRZDC-HZPDHXFCSA-N 1 0 385.483 4.044 20 0 GIADRO C[C@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccc(SCC(F)(F)F)cc1 ZINC000178048557 822299528 /nfs/dbraw/zinc/29/95/28/822299528.db2.gz SODDQZZNDRJCQD-ZDUSSCGKSA-N 1 0 393.438 4.168 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1)c1ccc(NS(C)(=O)=O)cc1 ZINC000178048971 822300246 /nfs/dbraw/zinc/30/02/46/822300246.db2.gz VNQBWYTZZDWRRQ-OLZOCXBDSA-N 1 0 386.439 4.489 20 0 GIADRO CC(=O)Nc1cc(C(=O)N(C)CC[N@H+](C)C2CCCCC2)cc(C(F)(F)F)c1 ZINC000178049121 822300302 /nfs/dbraw/zinc/30/03/02/822300302.db2.gz JUIDNURZJSGHNP-UHFFFAOYSA-N 1 0 399.457 4.000 20 0 GIADRO O=C(NC[C@H]1CCC[N@@H+](Cc2cc(F)cc3cccnc32)C1)c1ccccc1 ZINC000178063156 822306122 /nfs/dbraw/zinc/30/61/22/822306122.db2.gz AMYHANJEJAGWSS-QGZVFWFLSA-N 1 0 377.463 4.016 20 0 GIADRO CCN(CC)C(=O)CCC1CC[NH+](CC(=O)Nc2cccc3ccccc32)CC1 ZINC000182567817 822306504 /nfs/dbraw/zinc/30/65/04/822306504.db2.gz KCUNGBVPGWOAOX-UHFFFAOYSA-N 1 0 395.547 4.139 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(C(=O)Nc2ccccc2)c1)c1ccc(-n2cncn2)cc1 ZINC000178075613 822310433 /nfs/dbraw/zinc/31/04/33/822310433.db2.gz DGESMEHKSHCRGE-SFHVURJKSA-N 1 0 397.482 4.370 20 0 GIADRO COC[C@H]([NH2+]CC1(c2ccc(F)cc2)CCOCC1)c1ccc(F)c(F)c1 ZINC000182579496 822310805 /nfs/dbraw/zinc/31/08/05/822310805.db2.gz XEBNUOHLUDXQHR-FQEVSTJZSA-N 1 0 379.422 4.129 20 0 GIADRO COc1ccccc1NC(=O)C[C@H](C)[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000178103291 822320612 /nfs/dbraw/zinc/32/06/12/822320612.db2.gz DOXRQIKYBWSLKT-INIZCTEOSA-N 1 0 398.503 4.157 20 0 GIADRO COCCC[C@@H](C)[NH2+][C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000178109329 822322873 /nfs/dbraw/zinc/32/28/73/822322873.db2.gz NYVKDWSYKBKOEV-FOIQADDNSA-N 1 0 395.952 4.238 20 0 GIADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)cc1 ZINC000178114621 822324430 /nfs/dbraw/zinc/32/44/30/822324430.db2.gz KQLFJHFZWRMCNM-QVKFZJNVSA-N 1 0 390.524 4.316 20 0 GIADRO CCOC(=O)C1CCC([NH2+]C[C@@H](O)c2cccc(OCc3ccccc3)c2)CC1 ZINC000182618728 822324899 /nfs/dbraw/zinc/32/48/99/822324899.db2.gz HLEUPHINFWBHAD-POOLCLQXSA-N 1 0 397.515 4.011 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc([S@](C)=O)cc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000178118627 822325051 /nfs/dbraw/zinc/32/50/51/822325051.db2.gz UGBZDNLOVGFLMQ-OACFQNQOSA-N 1 0 385.533 4.120 20 0 GIADRO COCCOc1ccc([C@H](C)[NH2+][C@H](c2ccccc2)[C@@H]2CCCO2)cc1OC ZINC000178121748 822326133 /nfs/dbraw/zinc/32/61/33/822326133.db2.gz BCRRMEHMGVKGAE-JWNTYJGQSA-N 1 0 385.504 4.291 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@H](C)c2ccc(OC(C)C)cc2)ccc1S(C)(=O)=O ZINC000178142821 822331225 /nfs/dbraw/zinc/33/12/25/822331225.db2.gz ZPGBWJOPWIXYMS-HZPDHXFCSA-N 1 0 391.533 4.298 20 0 GIADRO CC(C)Oc1ccc([C@@H](C)[NH2+]Cc2ccc(S(=O)(=O)C(F)F)cc2)cc1 ZINC000182630810 822331223 /nfs/dbraw/zinc/33/12/23/822331223.db2.gz UPLIXADNHLKJDY-CQSZACIVSA-N 1 0 383.460 4.321 20 0 GIADRO CCOc1cccc2cc([C@H](C)[NH2+]C[C@H](O)COc3cccc(C(C)=O)c3)oc21 ZINC000182648647 822338063 /nfs/dbraw/zinc/33/80/63/822338063.db2.gz YXLMCZLJEBICCC-KXBFYZLASA-N 1 0 397.471 4.125 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1Br)c1cccc(OC(F)F)c1 ZINC000178167919 822339227 /nfs/dbraw/zinc/33/92/27/822339227.db2.gz BQLUYEYHBULCEK-LLVKDONJSA-N 1 0 399.235 4.340 20 0 GIADRO C[C@@H]([NH2+]CCNC(=O)c1ccccc1Cl)c1ccc(F)c(Br)c1 ZINC000178168775 822339834 /nfs/dbraw/zinc/33/98/34/822339834.db2.gz JOQPYPGVRSJSLG-LLVKDONJSA-N 1 0 399.691 4.322 20 0 GIADRO Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]CCNC(=O)c2ccccc2Cl)c1 ZINC000178169304 822340362 /nfs/dbraw/zinc/34/03/62/822340362.db2.gz KYSBOGVBVYFBJF-CYBMUJFWSA-N 1 0 382.838 4.330 20 0 GIADRO CCOC(=O)C1CCC([NH2+][C@@H](C)[C@@H](OC2CCOCC2)c2ccccc2)CC1 ZINC000182658686 822341889 /nfs/dbraw/zinc/34/18/89/822341889.db2.gz PBCNSNQFWVAFDJ-JJHAYVRDSA-N 1 0 389.536 4.023 20 0 GIADRO CC[C@H](NC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1cc(F)ccc1F ZINC000182659382 822342360 /nfs/dbraw/zinc/34/23/60/822342360.db2.gz HGTIKCSXUWRRFX-MDOVXXIYSA-N 1 0 379.495 4.368 20 0 GIADRO CCCNC(=O)c1ccc(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1Cl ZINC000178176632 822343122 /nfs/dbraw/zinc/34/31/22/822343122.db2.gz MEPJHQZWLSNDPB-HNNXBMFYSA-N 1 0 391.943 4.073 20 0 GIADRO O=C(NCc1ccc(Oc2ccccc2)nc1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178177248 822343460 /nfs/dbraw/zinc/34/34/60/822343460.db2.gz CYZBBZSNXRIEKD-LJQANCHMSA-N 1 0 379.504 4.145 20 0 GIADRO Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000178181063 822345092 /nfs/dbraw/zinc/34/50/92/822345092.db2.gz AMMAPRURXHUCSZ-UHFFFAOYSA-N 1 0 389.952 4.376 20 0 GIADRO CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000182669280 822345293 /nfs/dbraw/zinc/34/52/93/822345293.db2.gz CLHLKOYZKXWEJW-RXVVDRJESA-N 1 0 397.567 4.167 20 0 GIADRO C[C@H]([NH2+]CCSc1ccnc2cc(Cl)ccc21)c1nnc2ccccn21 ZINC000182673074 822346818 /nfs/dbraw/zinc/34/68/18/822346818.db2.gz KYMNCRKXMYZHHE-ZDUSSCGKSA-N 1 0 383.908 4.374 20 0 GIADRO CN(C)C(=O)Sc1ccccc1NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178189931 822347374 /nfs/dbraw/zinc/34/73/74/822347374.db2.gz WLHDISBRVKOQTP-OAHLLOKOSA-N 1 0 375.538 4.053 20 0 GIADRO CC1CC[NH+](Cc2cccc(CNC(=O)N3CCCC[C@@H]3c3cn[nH]c3)c2)CC1 ZINC000182676063 822347931 /nfs/dbraw/zinc/34/79/31/822347931.db2.gz PNEFVBHLSUOXKL-JOCHJYFZSA-N 1 0 395.551 4.078 20 0 GIADRO C[C@@H]([NH3+])c1ccc(NC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000178198189 822349312 /nfs/dbraw/zinc/34/93/12/822349312.db2.gz CQWDLOUOURTBLU-CYBMUJFWSA-N 1 0 384.867 4.371 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1)c1ccc(N2CCOC2=O)cc1 ZINC000178198854 822349839 /nfs/dbraw/zinc/34/98/39/822349839.db2.gz FDLQGOLFKMWHAY-DLBZAZTESA-N 1 0 376.460 4.241 20 0 GIADRO Clc1ccc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)nc1 ZINC000182685482 822351121 /nfs/dbraw/zinc/35/11/21/822351121.db2.gz OOPRESAMCVNFAE-UHFFFAOYSA-N 1 0 375.863 4.273 20 0 GIADRO CC(C)c1ccc(-c2noc(CCC(=O)Nc3ccc([C@@H](C)[NH3+])cc3)n2)cc1 ZINC000178205431 822352018 /nfs/dbraw/zinc/35/20/18/822352018.db2.gz WVRUAWKVMWJOKK-OAHLLOKOSA-N 1 0 378.476 4.451 20 0 GIADRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](CCC(=O)c2ccc(F)cc2)C1 ZINC000182701077 822355097 /nfs/dbraw/zinc/35/50/97/822355097.db2.gz MHQFGLFZMRZGOU-NVXWUHKLSA-N 1 0 378.488 4.024 20 0 GIADRO Cc1nn(C)cc1[C@H](C)[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000178220522 822355166 /nfs/dbraw/zinc/35/51/66/822355166.db2.gz CZPDFIIOUGGWPZ-ZDUSSCGKSA-N 1 0 381.351 4.351 20 0 GIADRO C[C@H]([NH2+]Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1)C1CCCCC1 ZINC000182703769 822355737 /nfs/dbraw/zinc/35/57/37/822355737.db2.gz REHCYZOKSRAZBC-AWEZNQCLSA-N 1 0 378.563 4.272 20 0 GIADRO COc1ccc(OC)c([C@H](C)[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000182705798 822356095 /nfs/dbraw/zinc/35/60/95/822356095.db2.gz YKNTYKZTXFWDQY-JKSUJKDBSA-N 1 0 378.513 4.144 20 0 GIADRO C[C@H]([NH3+])c1ccc(NC(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)cc1 ZINC000178228302 822356471 /nfs/dbraw/zinc/35/64/71/822356471.db2.gz CDMHEMMFKLJBTK-NHYWBVRUSA-N 1 0 392.286 4.005 20 0 GIADRO COc1ccccc1N1CCC([NH2+][C@H](C)c2ccc3c(c2)OCCCO3)CC1 ZINC000178230247 822356575 /nfs/dbraw/zinc/35/65/75/822356575.db2.gz KNHZWWGFYJQFPJ-QGZVFWFLSA-N 1 0 382.504 4.176 20 0 GIADRO COc1ccccc1N1CCC([NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000178231936 822356927 /nfs/dbraw/zinc/35/69/27/822356927.db2.gz UEDOWHANVBDQEY-SFHVURJKSA-N 1 0 393.531 4.142 20 0 GIADRO C[C@@H]([NH2+]C1CCN(Cc2ccncc2)CC1)c1ccccc1OC(F)(F)F ZINC000178231201 822356965 /nfs/dbraw/zinc/35/69/65/822356965.db2.gz BFJXZFCYQBXOGG-OAHLLOKOSA-N 1 0 379.426 4.295 20 0 GIADRO C[C@H](CCNC(=O)N(C)CCCc1cc(-c2ccccc2)no1)[NH+]1CCCCC1 ZINC000182713987 822357125 /nfs/dbraw/zinc/35/71/25/822357125.db2.gz ITEOZPZWLDCYBR-LJQANCHMSA-N 1 0 398.551 4.180 20 0 GIADRO O=C(/C=C(/c1ccc(Cl)cc1)C(F)(F)F)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000178232942 822357126 /nfs/dbraw/zinc/35/71/26/822357126.db2.gz CUAURDBUTVKFCF-RQNDZEIBSA-N 1 0 386.845 4.230 20 0 GIADRO CC(C)COc1cn(-c2ccccc2)nc1C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000178240533 822357673 /nfs/dbraw/zinc/35/76/73/822357673.db2.gz SXJHCPUYFGFFLY-MRXNPFEDSA-N 1 0 378.476 4.179 20 0 GIADRO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)C[C@H](C)O1 ZINC000178244956 822358004 /nfs/dbraw/zinc/35/80/04/822358004.db2.gz CTUZTBJPLUIZID-IYBDPMFKSA-N 1 0 398.469 4.057 20 0 GIADRO CCOc1ccc(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1OCC ZINC000045027401 822358182 /nfs/dbraw/zinc/35/81/82/822358182.db2.gz CAZFZMBNVVGBQX-UHFFFAOYSA-N 1 0 397.519 4.270 20 0 GIADRO CC(=O)N(Cc1ccc(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1)C(C)C ZINC000178248278 822358416 /nfs/dbraw/zinc/35/84/16/822358416.db2.gz SYBJOWRJCBFMLY-FQEVSTJZSA-N 1 0 385.552 4.037 20 0 GIADRO Cn1ccnc1[C@@H]1C[C@@H]([NH2+][C@H](Cc2ccc(F)cc2)c2ccccc2)CCO1 ZINC000453404345 822358419 /nfs/dbraw/zinc/35/84/19/822358419.db2.gz RLPIEIZBCURJCB-BDTNDASRSA-N 1 0 379.479 4.353 20 0 GIADRO Cc1cnc(CC[NH2+][C@H]2c3cc(Br)ccc3SC[C@H]2C)cn1 ZINC000453404313 822358486 /nfs/dbraw/zinc/35/84/86/822358486.db2.gz PNWFOHCUAPBLCB-PIGZYNQJSA-N 1 0 378.339 4.163 20 0 GIADRO Cc1ccc(OCCC(=O)Nc2ccc([C@@H](C)[NH3+])cc2)c(Br)c1 ZINC000178249511 822358592 /nfs/dbraw/zinc/35/85/92/822358592.db2.gz HAKJTUBUPUOCHG-CYBMUJFWSA-N 1 0 377.282 4.185 20 0 GIADRO COc1cc(F)cc(C[C@@H](C)[NH2+][C@H](C)c2ccc(NC(=O)NC3CC3)cc2)c1 ZINC000453407695 822358604 /nfs/dbraw/zinc/35/86/04/822358604.db2.gz UZALUOVJRRITLF-HUUCEWRRSA-N 1 0 385.483 4.400 20 0 GIADRO COc1cc(F)cc(C[C@H](C)[NH2+][C@H](C)c2ccc(NC(=O)NC3CC3)cc2)c1 ZINC000453407699 822358647 /nfs/dbraw/zinc/35/86/47/822358647.db2.gz UZALUOVJRRITLF-LSDHHAIUSA-N 1 0 385.483 4.400 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1OCC ZINC000178254480 822358940 /nfs/dbraw/zinc/35/89/40/822358940.db2.gz OSRSYLJHMMSVKS-CVEARBPZSA-N 1 0 391.533 4.299 20 0 GIADRO C[C@@H]1C[NH+](CCC2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)C[C@@H](C)O1 ZINC000178256477 822359580 /nfs/dbraw/zinc/35/95/80/822359580.db2.gz YOTLFNYAORRPDM-HZPDHXFCSA-N 1 0 398.469 4.057 20 0 GIADRO C[C@@H](NC1CC[NH+](CC2CC2)CC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000178257105 822359872 /nfs/dbraw/zinc/35/98/72/822359872.db2.gz HIXGDMVMMPLSPT-GFCCVEGCSA-N 1 0 390.421 4.414 20 0 GIADRO CC(C)Oc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@H](c3nccn3C)C2)cc1Cl ZINC000453416967 822360007 /nfs/dbraw/zinc/36/00/07/822360007.db2.gz ZTDCJPCKITUHCI-GMBSWORKSA-N 1 0 377.916 4.432 20 0 GIADRO CSc1cccc([C@@H]([NH2+]C[C@]2(C)CCC(=O)N2)c2ccc(F)c(F)c2)c1 ZINC000453421571 822360640 /nfs/dbraw/zinc/36/06/40/822360640.db2.gz MGPSPOIKACDZHG-UXHICEINSA-N 1 0 376.472 4.034 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc3c(c2)OCCO3)cc1Cn1cccn1 ZINC000178268972 822361296 /nfs/dbraw/zinc/36/12/96/822361296.db2.gz ZUAYOXNACXQQEX-IAGOWNOFSA-N 1 0 393.487 4.123 20 0 GIADRO C[C@]1(C[NH2+][C@H](c2ccc(Cl)cc2)c2ccc(OC(F)F)cc2)CCC(=O)N1 ZINC000453428760 822361827 /nfs/dbraw/zinc/36/18/27/822361827.db2.gz PXQUOGJCQCCRBH-UYAOXDASSA-N 1 0 394.849 4.289 20 0 GIADRO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000045085954 822361957 /nfs/dbraw/zinc/36/19/57/822361957.db2.gz MAWJHSFVIQAYKV-UHFFFAOYSA-N 1 0 391.874 4.143 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccccc1NC(=O)OCc1ccccc1 ZINC000182750814 822362060 /nfs/dbraw/zinc/36/20/60/822362060.db2.gz ANLMIVHZCVZKRK-GOSISDBHSA-N 1 0 395.503 4.040 20 0 GIADRO CC(C)c1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)CCCO2 ZINC000178277327 822362307 /nfs/dbraw/zinc/36/23/07/822362307.db2.gz ZMQJEEIZMBEUTE-NRFANRHFSA-N 1 0 387.545 4.358 20 0 GIADRO COc1cc(C[NH2+][C@@H](C)c2ccc(OC(F)(F)F)cc2)cc(OC)c1OC ZINC000045098332 822362463 /nfs/dbraw/zinc/36/24/63/822362463.db2.gz IITZIELCIKUWMQ-LBPRGKRZSA-N 1 0 385.382 4.462 20 0 GIADRO C[C@@H](NC(=O)NCc1cccc(-c2ccccn2)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182759897 822363681 /nfs/dbraw/zinc/36/36/81/822363681.db2.gz QCARTUNSDFVPMR-NQIIRXRSSA-N 1 0 392.547 4.201 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]Cc2ccccc2CS(C)(=O)=O)c2ccccc12 ZINC000178298091 822364826 /nfs/dbraw/zinc/36/48/26/822364826.db2.gz ALPKJNXOPRCALI-MRXNPFEDSA-N 1 0 383.513 4.244 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H](C)c1cccc(NC(C)=O)c1 ZINC000045132657 822364995 /nfs/dbraw/zinc/36/49/95/822364995.db2.gz HQLZTMQSUMUPLZ-QGZVFWFLSA-N 1 0 396.535 4.047 20 0 GIADRO CC[N@@H+](c1ccc(N[C@H](C)c2cccc(S(=O)(=O)NC)c2)cc1)C(C)C ZINC000182771931 822365060 /nfs/dbraw/zinc/36/50/60/822365060.db2.gz RRUSEALECBQGQZ-MRXNPFEDSA-N 1 0 375.538 4.003 20 0 GIADRO Cc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@@H]2C[C@H]4CCCCN4C2=O)CCC3)cc1 ZINC000453450332 822365335 /nfs/dbraw/zinc/36/53/35/822365335.db2.gz QPQBYVGOCXHNRU-ZHALLVOQSA-N 1 0 381.545 4.239 20 0 GIADRO C[C@@H](c1cccc(Br)c1)[NH+]1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000178308438 822365862 /nfs/dbraw/zinc/36/58/62/822365862.db2.gz XUBILIQVIFQQOK-INIZCTEOSA-N 1 0 393.369 4.481 20 0 GIADRO CCC[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CC)CC[N@@H+]1Cc1ccccc1 ZINC000453452587 822365948 /nfs/dbraw/zinc/36/59/48/822365948.db2.gz PYJXWRNWUYKYEV-NHCUHLMSSA-N 1 0 397.567 4.031 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cncn2)cc1)c1ccc(F)cc1OC(F)F ZINC000178326386 822367297 /nfs/dbraw/zinc/36/72/97/822367297.db2.gz UEWAQVLHHZINAJ-QWHCGFSZSA-N 1 0 376.382 4.420 20 0 GIADRO COc1cc(OC)c([C@H](C)[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)cc1Cl ZINC000178325748 822367403 /nfs/dbraw/zinc/36/74/03/822367403.db2.gz VPYRRNHAFMXFOF-KBPBESRZSA-N 1 0 386.883 4.350 20 0 GIADRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)s1 ZINC000178349117 822370093 /nfs/dbraw/zinc/37/00/93/822370093.db2.gz CKXSNGTYGQZMMI-MRXNPFEDSA-N 1 0 378.563 4.082 20 0 GIADRO COc1ccc(OC)c([C@@H](C)[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)c1 ZINC000178357767 822370860 /nfs/dbraw/zinc/37/08/60/822370860.db2.gz WELXCKKQAGICAP-HJUABHRKSA-N 1 0 380.488 4.187 20 0 GIADRO COc1cc(C[NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)cc(OC)c1OC ZINC000178379281 822373172 /nfs/dbraw/zinc/37/31/72/822373172.db2.gz UIUQNJQCSHGHQS-MRXNPFEDSA-N 1 0 397.393 4.388 20 0 GIADRO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCc1csc(-c2ccccc2)n1 ZINC000178400121 822375349 /nfs/dbraw/zinc/37/53/49/822375349.db2.gz BJDDHAOXZHKTDP-GCJKJVERSA-N 1 0 392.572 4.248 20 0 GIADRO C[C@H](NC(=O)N1CCC(OCc2ccccc2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182845474 822377484 /nfs/dbraw/zinc/37/74/84/822377484.db2.gz XBPPOQKUUVNTAI-FPOVZHCZSA-N 1 0 399.579 4.030 20 0 GIADRO O=C1CCCCN1C1CC[NH+](Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000178425931 822377951 /nfs/dbraw/zinc/37/79/51/822377951.db2.gz YNVRTKRHYSRCAL-UHFFFAOYSA-N 1 0 378.516 4.243 20 0 GIADRO O=C(Nc1cccc(OC2CCCC2)c1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000178436709 822378889 /nfs/dbraw/zinc/37/88/89/822378889.db2.gz BEUCQKMCGBBXFK-JTSKRJEESA-N 1 0 383.536 4.489 20 0 GIADRO O=C(CCc1ccccc1)N1CC[C@H]([NH2+][C@@H]2CCSc3c(F)cccc32)C1 ZINC000178444634 822379680 /nfs/dbraw/zinc/37/96/80/822379680.db2.gz GDPZFQUDTLXVTN-FXAWDEMLSA-N 1 0 384.520 4.186 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCCC3=O)cc2)cc1OCC ZINC000178446379 822379867 /nfs/dbraw/zinc/37/98/67/822379867.db2.gz DPLKYCYUGGJXQL-QGZVFWFLSA-N 1 0 382.504 4.462 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCCc2nc(-c3ccc(F)cc3)sc21)C(=O)N1CCCCC1 ZINC000178466176 822381862 /nfs/dbraw/zinc/38/18/62/822381862.db2.gz FEPJVYBKDPVOOS-PBHICJAKSA-N 1 0 387.524 4.317 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@@H](C)CCc1ccc(O)cc1 ZINC000045380508 822382480 /nfs/dbraw/zinc/38/24/80/822382480.db2.gz ZIHHEKVGABYITB-SFHVURJKSA-N 1 0 383.536 4.053 20 0 GIADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N1CCCCC[C@@H]1c1ccccc1 ZINC000178479632 822383555 /nfs/dbraw/zinc/38/35/55/822383555.db2.gz GCUNWBZMILUKBP-ZLNRFVROSA-N 1 0 399.579 4.081 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1)c1ccc2c(c1)OCCO2 ZINC000178480609 822383729 /nfs/dbraw/zinc/38/37/29/822383729.db2.gz HLOIGZRLPYEJIC-JXFKEZNVSA-N 1 0 380.488 4.387 20 0 GIADRO CCN(C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)[C@@H](C)c1cccc(OC)c1 ZINC000182877093 822384448 /nfs/dbraw/zinc/38/44/48/822384448.db2.gz LVZWTSSJFWPRMS-WSTZPKSXSA-N 1 0 387.568 4.441 20 0 GIADRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+][C@H](C)CN1CCCC1=O ZINC000178493667 822385073 /nfs/dbraw/zinc/38/50/73/822385073.db2.gz FRHOQAJUBFQFLO-OLZOCXBDSA-N 1 0 377.941 4.433 20 0 GIADRO C[C@@H](NC(=O)N(C)Cc1ccc(Cl)c(F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182882505 822385521 /nfs/dbraw/zinc/38/55/21/822385521.db2.gz HDYJTJPXDOFNSO-ZBFHGGJFSA-N 1 0 381.923 4.274 20 0 GIADRO CC(C)(CO)[C@H]([NH2+]Cc1cnc2ccc(Br)cn12)c1cccs1 ZINC000453574338 822386662 /nfs/dbraw/zinc/38/66/62/822386662.db2.gz ILCFIWJRDXXIGZ-MRXNPFEDSA-N 1 0 394.338 4.008 20 0 GIADRO C[C@H](Nc1cccc(C(=O)N2CCCCC2)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000182889056 822386830 /nfs/dbraw/zinc/38/68/30/822386830.db2.gz SDXAPAMBYWQTLO-IBGZPJMESA-N 1 0 395.547 4.426 20 0 GIADRO C[C@@H](Nc1cccc(C(=O)N2CCCCC2)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000182889072 822386904 /nfs/dbraw/zinc/38/69/04/822386904.db2.gz SDXAPAMBYWQTLO-LJQANCHMSA-N 1 0 395.547 4.426 20 0 GIADRO CC1(C)C[C@H](C[NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CCO1 ZINC000453575266 822386869 /nfs/dbraw/zinc/38/68/69/822386869.db2.gz DDZUYAJTUKBQPV-MRXNPFEDSA-N 1 0 381.442 4.245 20 0 GIADRO Cc1ccc(NC(=O)C2CC2)cc1NC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182891793 822387257 /nfs/dbraw/zinc/38/72/57/822387257.db2.gz DYCWZHNCXJRYPH-WMZOPIPTSA-N 1 0 398.551 4.118 20 0 GIADRO C[C@H]([NH2+]CCCN1CCC(O)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000178520676 822387336 /nfs/dbraw/zinc/38/73/36/822387336.db2.gz HMCDQCMBRVECEE-LBPRGKRZSA-N 1 0 398.391 4.222 20 0 GIADRO C[C@@H]([NH2+]CCCc1nnc2n1CCCCC2)c1ccccc1OC(F)(F)F ZINC000178524844 822387835 /nfs/dbraw/zinc/38/78/35/822387835.db2.gz ZSXWCBRDMDUTDI-CQSZACIVSA-N 1 0 382.430 4.187 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CCCc2nnc3n2CCCCC3)c2ccccc12 ZINC000178525409 822387905 /nfs/dbraw/zinc/38/79/05/822387905.db2.gz HQYQUSOWYRZXRM-QGZVFWFLSA-N 1 0 378.520 4.450 20 0 GIADRO C[C@H](NC(=O)N1CCc2ccc(Cl)cc2C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182897232 822388278 /nfs/dbraw/zinc/38/82/78/822388278.db2.gz MLFNKSQAPMAPFT-RDJZCZTQSA-N 1 0 375.944 4.061 20 0 GIADRO C[C@@H]([NH2+]CCCc1nnc2n1CCCCC2)c1nc(-c2ccccc2)cs1 ZINC000178528544 822388335 /nfs/dbraw/zinc/38/83/35/822388335.db2.gz ALRDGWJHBKRKQU-MRXNPFEDSA-N 1 0 381.549 4.411 20 0 GIADRO Fc1cc(C[NH+]2CCC3(CC2)OCCc2ccccc23)ccc1OC(F)F ZINC000453583986 822388352 /nfs/dbraw/zinc/38/83/52/822388352.db2.gz YZJVUBJVIKPPKO-UHFFFAOYSA-N 1 0 377.406 4.491 20 0 GIADRO CC(C)C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)c1ccccc1 ZINC000453583121 822388403 /nfs/dbraw/zinc/38/84/03/822388403.db2.gz MZNJQYIEIRDORM-FGZHOGPDSA-N 1 0 393.531 4.078 20 0 GIADRO O=C(Nc1c(F)cc(Cl)cc1F)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000182903167 822389513 /nfs/dbraw/zinc/38/95/13/822389513.db2.gz LBQNCLOUYUKCMH-UHFFFAOYSA-N 1 0 379.838 4.358 20 0 GIADRO [NH3+]C[C@@H]1CCN(C(=O)[C@H](Sc2ccc(F)c(Cl)c2)c2ccccc2)C1 ZINC000178542941 822389975 /nfs/dbraw/zinc/38/99/75/822389975.db2.gz LMGRFYOEKBQRAD-SCLBCKFNSA-N 1 0 378.900 4.120 20 0 GIADRO COc1cc(OC)c(NC(=O)C[NH2+][C@H](C)c2cc(C)cc(C)c2)cc1Cl ZINC000182907957 822390429 /nfs/dbraw/zinc/39/04/29/822390429.db2.gz PTWULMQASXPOKQ-CQSZACIVSA-N 1 0 376.884 4.263 20 0 GIADRO CC[C@H](NC(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)c1ccc(Cl)cc1 ZINC000453596032 822390561 /nfs/dbraw/zinc/39/05/61/822390561.db2.gz WHXVFAPVAXCVGP-VQTJNVASSA-N 1 0 399.922 4.095 20 0 GIADRO C[C@@H](O)c1ccc(C[NH2+][C@H](C)c2ccc(I)cc2)cc1 ZINC000178554755 822391434 /nfs/dbraw/zinc/39/14/34/822391434.db2.gz JSCUWUBODSNJQZ-CHWSQXEVSA-N 1 0 381.257 4.195 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc([C@H](C)O)cc1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000178556979 822391836 /nfs/dbraw/zinc/39/18/36/822391836.db2.gz VXUVMQALFFZHBH-SJORKVTESA-N 1 0 387.545 4.307 20 0 GIADRO CC(C)C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)c1cccs1 ZINC000453605442 822391960 /nfs/dbraw/zinc/39/19/60/822391960.db2.gz OUCMHDWYBQJRQI-MOPGFXCFSA-N 1 0 399.560 4.139 20 0 GIADRO Cc1ccc([C@H](C)N(C)C(=O)C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)c(C)c1 ZINC000453608222 822392215 /nfs/dbraw/zinc/39/22/15/822392215.db2.gz UMMVRYAKYFDCQT-HTAPYJJXSA-N 1 0 393.531 4.010 20 0 GIADRO CCC(CC)c1nnc(NC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)s1 ZINC000182919143 822392814 /nfs/dbraw/zinc/39/28/14/822392814.db2.gz MGLJCGVCXYLIRK-UKRRQHHQSA-N 1 0 379.574 4.216 20 0 GIADRO C[C@H](c1ccccc1Cl)N(C)C(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000453612313 822393010 /nfs/dbraw/zinc/39/30/10/822393010.db2.gz JCWLAQKLWLKVST-VLIAUNLRSA-N 1 0 399.922 4.047 20 0 GIADRO C[C@H](NC(=O)N(C)Cc1nc2ccccc2s1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182924518 822393577 /nfs/dbraw/zinc/39/35/77/822393577.db2.gz ZVAYHUVHBRVLHN-HOTGVXAUSA-N 1 0 386.565 4.091 20 0 GIADRO COc1ccc(CC[NH2+][C@H](C)CC(=O)Nc2ccccc2C(F)(F)F)cc1F ZINC000178594045 822394579 /nfs/dbraw/zinc/39/45/79/822394579.db2.gz YVQCEPXABINOAU-CYBMUJFWSA-N 1 0 398.400 4.403 20 0 GIADRO COc1ccc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCCC2)c(OC)c1OC ZINC000453624133 822394864 /nfs/dbraw/zinc/39/48/64/822394864.db2.gz WYMRZHUKHIRKDR-QFIPXVFZSA-N 1 0 385.504 4.096 20 0 GIADRO COc1ccc(OCc2ccccn2)c(C[N@@H+](Cc2cnn(C)c2)CC(C)C)c1 ZINC000453630954 822395652 /nfs/dbraw/zinc/39/56/52/822395652.db2.gz ZZMDFEIJCUSSLD-UHFFFAOYSA-N 1 0 394.519 4.061 20 0 GIADRO CCCOc1ccc([C@H](C)[NH2+]Cc2cccc(NC(=O)[C@H]3CCCO3)c2)cc1 ZINC000178615571 822396556 /nfs/dbraw/zinc/39/65/56/822396556.db2.gz UUWJCKACMCVRTM-HTAPYJJXSA-N 1 0 382.504 4.444 20 0 GIADRO CCSc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(S(=O)(=O)NC)cc2)cc1 ZINC000178621971 822396923 /nfs/dbraw/zinc/39/69/23/822396923.db2.gz BKSPRJJTBAACCO-LSDHHAIUSA-N 1 0 378.563 4.119 20 0 GIADRO CCCOc1ccc([C@@H](C)[NH2+]Cc2cccc(C(=O)NC[C@H]3CCCO3)c2)cc1 ZINC000178640324 822398644 /nfs/dbraw/zinc/39/86/44/822398644.db2.gz JHPALKWCGUPBPP-WZONZLPQSA-N 1 0 396.531 4.235 20 0 GIADRO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@@H](CCO)c1ccccc1 ZINC000178646837 822399072 /nfs/dbraw/zinc/39/90/72/822399072.db2.gz GAFKBXZAKQKRLH-DOTOQJQBSA-N 1 0 394.437 4.178 20 0 GIADRO CCN(Cc1c(F)cccc1F)C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182953956 822399192 /nfs/dbraw/zinc/39/91/92/822399192.db2.gz WGXFDIZROYUCBC-HZPDHXFCSA-N 1 0 379.495 4.149 20 0 GIADRO c1ccc(C[N@H+]2CCC[C@H]3CN(Cc4nnc(-c5ccccc5)o4)CC[C@@H]32)cc1 ZINC000178648471 822399324 /nfs/dbraw/zinc/39/93/24/822399324.db2.gz FULPJLDJULXBSF-VXKWHMMOSA-N 1 0 388.515 4.223 20 0 GIADRO c1ccc(C[N@H+]2CCC[C@@H]3CN(Cc4nnc(-c5ccccc5)o4)CC[C@@H]32)cc1 ZINC000178648489 822399352 /nfs/dbraw/zinc/39/93/52/822399352.db2.gz FULPJLDJULXBSF-YADHBBJMSA-N 1 0 388.515 4.223 20 0 GIADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)C[C@@H]2CCCc3ccccc32)CC1 ZINC000178679240 822402285 /nfs/dbraw/zinc/40/22/85/822402285.db2.gz KSEUVYNVHXTPHH-NQIIRXRSSA-N 1 0 377.532 4.233 20 0 GIADRO C[C@H](Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)c1ccc(-n2cnnn2)cc1 ZINC000182972614 822402431 /nfs/dbraw/zinc/40/24/31/822402431.db2.gz GERXYMPZUVMFST-MSOLQXFVSA-N 1 0 376.508 4.210 20 0 GIADRO CN(Cc1ccccc1C(F)(F)F)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000045658153 822403208 /nfs/dbraw/zinc/40/32/08/822403208.db2.gz QXHXYAJMOMFMQS-MRXNPFEDSA-N 1 0 385.455 4.211 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(-n2cncn2)cc1)c1cc(Br)ccc1F ZINC000178742957 822406686 /nfs/dbraw/zinc/40/66/86/822406686.db2.gz OZNPYXPSZMGPMD-GFCCVEGCSA-N 1 0 375.245 4.020 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2C)cnn1-c1ccc(F)cc1 ZINC000182999957 822408756 /nfs/dbraw/zinc/40/87/56/822408756.db2.gz HQPOXQWKBZBMTR-JKSUJKDBSA-N 1 0 380.467 4.306 20 0 GIADRO C[C@H](Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1)c1ccccc1C(F)(F)F ZINC000183002741 822409081 /nfs/dbraw/zinc/40/90/81/822409081.db2.gz QILKSBJZNPTIIX-IFXJQAMLSA-N 1 0 391.437 4.328 20 0 GIADRO O=C(NC[C@@H]1CCC[NH2+]1)c1oc2ccccc2c1CSc1ccccc1F ZINC000178779740 822409107 /nfs/dbraw/zinc/40/91/07/822409107.db2.gz FUWLQYSODBABBH-AWEZNQCLSA-N 1 0 384.476 4.346 20 0 GIADRO COCC[NH+]1CCC(N[C@@H](c2cccc(OC)c2)c2ccccc2Cl)CC1 ZINC000178791984 822410300 /nfs/dbraw/zinc/41/03/00/822410300.db2.gz URYKSHDBKJPYSO-QFIPXVFZSA-N 1 0 388.939 4.138 20 0 GIADRO Cc1ccc(NC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)c(C)c1O ZINC000178793491 822410378 /nfs/dbraw/zinc/41/03/78/822410378.db2.gz PHGDKQGXEFDWJX-HXUWFJFHSA-N 1 0 392.421 4.402 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000045755958 822410517 /nfs/dbraw/zinc/41/05/17/822410517.db2.gz NZFWRMVGCRYAJR-OAQYLSRUSA-N 1 0 398.938 4.246 20 0 GIADRO O=C(Nc1cccc(OC2CCCC2)c1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000045754990 822410559 /nfs/dbraw/zinc/41/05/59/822410559.db2.gz ICCUKDSULNDMNZ-UHFFFAOYSA-N 1 0 394.519 4.189 20 0 GIADRO C[C@H]1C[C@@H](Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)c2ccsc2S1 ZINC000183011479 822410993 /nfs/dbraw/zinc/41/09/93/822410993.db2.gz FRSYZOIPQKBPNO-MORSLUCNSA-N 1 0 387.574 4.235 20 0 GIADRO CCN(Cc1cccc(F)c1)C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000045758616 822411072 /nfs/dbraw/zinc/41/10/72/822411072.db2.gz AXWPQIAKRVXCJZ-UHFFFAOYSA-N 1 0 383.511 4.330 20 0 GIADRO CC[C@H]([NH2+]Cc1sc2ccccc2c1Cl)c1cccc(S(N)(=O)=O)c1 ZINC000183014673 822411793 /nfs/dbraw/zinc/41/17/93/822411793.db2.gz OSLAPMBONWYJGO-HNNXBMFYSA-N 1 0 394.949 4.443 20 0 GIADRO C[C@@H]([NH3+])C1CCN(C(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)CC1 ZINC000178805721 822412218 /nfs/dbraw/zinc/41/22/18/822412218.db2.gz SUXNLQYQEXOMRN-SNVBAGLBSA-N 1 0 384.332 4.316 20 0 GIADRO O=C(C1CC[NH+](Cc2ccc(Oc3ccccc3)c(F)c2)CC1)N1CCCC1 ZINC000178810518 822412544 /nfs/dbraw/zinc/41/25/44/822412544.db2.gz LHMITFXKXKPWKI-UHFFFAOYSA-N 1 0 382.479 4.452 20 0 GIADRO CC1CC[NH+](Cc2ccc(CNC(=O)N3CCC[C@@H]3c3ccncc3)cc2)CC1 ZINC000045778103 822412550 /nfs/dbraw/zinc/41/25/50/822412550.db2.gz FRRUEIYYBURDKH-HSZRJFAPSA-N 1 0 392.547 4.360 20 0 GIADRO CCN(Cc1ccncc1)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000045778593 822412560 /nfs/dbraw/zinc/41/25/60/822412560.db2.gz YYLJGZSSTDWCCS-LJQANCHMSA-N 1 0 380.536 4.188 20 0 GIADRO COc1ccc([C@@H](C)NCc2nccn2CC(C)C)cc1C[NH+]1CCCCC1 ZINC000183021106 822412592 /nfs/dbraw/zinc/41/25/92/822412592.db2.gz HWEAEGHFEVGPKB-LJQANCHMSA-N 1 0 384.568 4.384 20 0 GIADRO CCN(Cc1ccncc1)C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000045777513 822412586 /nfs/dbraw/zinc/41/25/86/822412586.db2.gz OWXIUMWZBNEEHB-UHFFFAOYSA-N 1 0 380.536 4.045 20 0 GIADRO COc1ccc(CN(C)C(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)cc1 ZINC000045780256 822412766 /nfs/dbraw/zinc/41/27/66/822412766.db2.gz DLJIELROLXGLGV-LJQANCHMSA-N 1 0 395.547 4.411 20 0 GIADRO Cc1cc([C@H]2CCCN2C(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)on1 ZINC000045788121 822413693 /nfs/dbraw/zinc/41/36/93/822413693.db2.gz GNPUXTUVCNPJQP-LAUBAEHRSA-N 1 0 396.535 4.262 20 0 GIADRO COc1ccccc1CN(C)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000045789194 822414058 /nfs/dbraw/zinc/41/40/58/822414058.db2.gz OOBUISRFSTYFRI-IBGZPJMESA-N 1 0 395.547 4.269 20 0 GIADRO C[C@H]([NH3+])C1CCN(C(=O)[C@@H](Sc2cc(F)ccc2F)c2ccccc2)CC1 ZINC000178827727 822414517 /nfs/dbraw/zinc/41/45/17/822414517.db2.gz IKJILOFUYNRGOS-XOBRGWDASA-N 1 0 390.499 4.384 20 0 GIADRO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000178839425 822415302 /nfs/dbraw/zinc/41/53/02/822415302.db2.gz SINIEYGJIAUWEQ-LJQANCHMSA-N 1 0 394.515 4.346 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1)C(=O)N1CCCc2ccccc21 ZINC000045812382 822415457 /nfs/dbraw/zinc/41/54/57/822415457.db2.gz AEIAMLHRSYKZCL-DLBZAZTESA-N 1 0 391.515 4.054 20 0 GIADRO CSc1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)c1 ZINC000045812882 822415598 /nfs/dbraw/zinc/41/55/98/822415598.db2.gz PGGZHPFEJLOWEG-GJZGRUSLSA-N 1 0 397.544 4.435 20 0 GIADRO C[NH+](C)CCOc1cccc(CNC(=O)Nc2cccc(Cl)c2Cl)c1 ZINC000045814730 822415857 /nfs/dbraw/zinc/41/58/57/822415857.db2.gz WBZNRHUCEOOIHR-UHFFFAOYSA-N 1 0 382.291 4.256 20 0 GIADRO O=C(Cc1ccc(Cl)cc1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000045819272 822416495 /nfs/dbraw/zinc/41/64/95/822416495.db2.gz HYCPUZRCTMCYKL-IBGZPJMESA-N 1 0 377.315 4.489 20 0 GIADRO COc1ccc(OC)c(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(C(F)(F)F)cc2)c1 ZINC000045820757 822416642 /nfs/dbraw/zinc/41/66/42/822416642.db2.gz FDOYVAFLYBBXFA-STQMWFEESA-N 1 0 396.409 4.400 20 0 GIADRO C[C@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCO2)c1ccc(NC(=O)C2CC2)cc1 ZINC000045822196 822416911 /nfs/dbraw/zinc/41/69/11/822416911.db2.gz FQQDKKVZKVMAKZ-ZDUSSCGKSA-N 1 0 386.879 4.311 20 0 GIADRO COc1cc([C@H](C)[NH2+]Cc2cnc3nc(C)cc(C)n23)ccc1OCC(C)C ZINC000178876524 822418121 /nfs/dbraw/zinc/41/81/21/822418121.db2.gz WFODEGQSYPYUJX-KRWDZBQOSA-N 1 0 382.508 4.240 20 0 GIADRO Cc1cc(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)c2c(n1)onc2C(C)C ZINC000178889122 822419419 /nfs/dbraw/zinc/41/94/19/822419419.db2.gz ZAWDPHPKOVADIZ-UHFFFAOYSA-N 1 0 398.551 4.383 20 0 GIADRO CCSCc1ccc(NC(=O)C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)cc1 ZINC000453933028 822419621 /nfs/dbraw/zinc/41/96/21/822419621.db2.gz AQEIRUQKRAZMPQ-FQEVSTJZSA-N 1 0 397.544 4.066 20 0 GIADRO CCSCc1ccc(NC(=O)C(=O)Nc2ccc(C[NH+](CC)CC)cc2)cc1 ZINC000453978748 822420918 /nfs/dbraw/zinc/42/09/18/822420918.db2.gz UTEYJEQNAIOGNJ-UHFFFAOYSA-N 1 0 399.560 4.359 20 0 GIADRO CCCN(C(=O)c1cc(-c2cc(C)sc2C)nc2onc(C)c21)[C@H]1CC[NH2+]C1 ZINC000178910516 822421056 /nfs/dbraw/zinc/42/10/56/822421056.db2.gz CKKKHGBWOVCDFC-HNNXBMFYSA-N 1 0 398.532 4.091 20 0 GIADRO CC[C@@H](NC(=O)C(=O)Nc1cccc2c1C[N@@H+]([C@H](C)C(C)C)C2)C1CCCC1 ZINC000454030638 822423696 /nfs/dbraw/zinc/42/36/96/822423696.db2.gz LXCIFKGJXLUYMY-OXQOHEQNSA-N 1 0 385.552 4.070 20 0 GIADRO Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]Cc1ccccc1N1CCOCC1 ZINC000178983643 822426197 /nfs/dbraw/zinc/42/61/97/822426197.db2.gz UBKPSAAUKUGQGM-FQEVSTJZSA-N 1 0 386.923 4.489 20 0 GIADRO C[NH2+]C[C@@H]1CCN(C(=O)c2oc3ccccc3c2CSc2cccs2)C1 ZINC000178982516 822426296 /nfs/dbraw/zinc/42/62/96/822426296.db2.gz ASOCAFQZFVPZEM-AWEZNQCLSA-N 1 0 386.542 4.468 20 0 GIADRO COc1ccc(NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)cc1OC ZINC000045958095 822426805 /nfs/dbraw/zinc/42/68/05/822426805.db2.gz CPUFQAYGZVRPGI-KRWDZBQOSA-N 1 0 397.519 4.257 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Nc1nnc(C2CC2)s1 ZINC000045960480 822427059 /nfs/dbraw/zinc/42/70/59/822427059.db2.gz GJQNGTAFURECSD-CQSZACIVSA-N 1 0 385.537 4.112 20 0 GIADRO C[NH2+]C[C@H]1CCN(C(=O)c2ccccc2Oc2ccc(Cl)cc2Cl)C1 ZINC000178999717 822428214 /nfs/dbraw/zinc/42/82/14/822428214.db2.gz NHTVEDKCTMNSSV-CYBMUJFWSA-N 1 0 379.287 4.467 20 0 GIADRO C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(Oc3cccc(Cl)c3Cl)cc2)C1 ZINC000179009943 822429718 /nfs/dbraw/zinc/42/97/18/822429718.db2.gz PHYAXOOZWYZZBR-ZDUSSCGKSA-N 1 0 379.287 4.467 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(SC(=O)N(C)C)cc1)c1ccccc1-n1cccn1 ZINC000183141121 822430090 /nfs/dbraw/zinc/43/00/90/822430090.db2.gz OBEBKMSQBXQFGZ-INIZCTEOSA-N 1 0 380.517 4.497 20 0 GIADRO CCCC[C@@H]([NH2+]C1CCC(OC)CC1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000183145653 822430966 /nfs/dbraw/zinc/43/09/66/822430966.db2.gz NWVGKWBHTLSOOL-FQUBMZHMSA-N 1 0 387.568 4.331 20 0 GIADRO CC(C)CC(=O)Nc1ccc(NC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000045988835 822431202 /nfs/dbraw/zinc/43/12/02/822431202.db2.gz WFPCQXUHXWPBJQ-GOSISDBHSA-N 1 0 388.556 4.305 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)NCc2cccnc2Oc2cccc(F)c2)c1 ZINC000045999142 822432600 /nfs/dbraw/zinc/43/26/00/822432600.db2.gz HRORZNXCHYCVKL-UHFFFAOYSA-N 1 0 394.450 4.396 20 0 GIADRO CCOc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000183156854 822432729 /nfs/dbraw/zinc/43/27/29/822432729.db2.gz LQZNKXJMEPLULT-DLBZAZTESA-N 1 0 392.503 4.257 20 0 GIADRO FC(F)Oc1ccccc1C[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000183155827 822432824 /nfs/dbraw/zinc/43/28/24/822432824.db2.gz QMXZVJOEMYEKRD-UHFFFAOYSA-N 1 0 375.341 4.340 20 0 GIADRO O=C1C[C@H](C[NH2+]Cc2ccccc2OC2CCCC2)CN1Cc1ccccc1 ZINC000179050438 822433393 /nfs/dbraw/zinc/43/33/93/822433393.db2.gz PBBPQASFOZWZAB-HXUWFJFHSA-N 1 0 378.516 4.146 20 0 GIADRO CC(C)n1ncc2cc(C[NH+]3CCC(n4ccc(C(F)(F)F)n4)CC3)cnc21 ZINC000183162977 822433665 /nfs/dbraw/zinc/43/36/65/822433665.db2.gz VXLVWJWQIUBRKA-UHFFFAOYSA-N 1 0 392.429 4.065 20 0 GIADRO Cc1ccc(-c2ncc(C[NH2+]C[C@H]3CC(=O)N(Cc4ccccc4)C3)s2)cc1 ZINC000179054022 822433879 /nfs/dbraw/zinc/43/38/79/822433879.db2.gz GRLVPQQAAYNKCB-LJQANCHMSA-N 1 0 391.540 4.257 20 0 GIADRO COC1CCC([NH2+][C@H](c2ccc(C)cc2)c2cccc(S(C)(=O)=O)c2)CC1 ZINC000183164261 822433916 /nfs/dbraw/zinc/43/39/16/822433916.db2.gz BVYZHKZOIOYFAK-QETWGEEDSA-N 1 0 387.545 4.035 20 0 GIADRO COC(=O)c1cc2cc(C[NH2+][C@@H](C)c3ccccc3-n3cccn3)ccc2o1 ZINC000183164139 822433936 /nfs/dbraw/zinc/43/39/36/822433936.db2.gz HKFYRYPWMPSYSW-HNNXBMFYSA-N 1 0 375.428 4.256 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(SC(=O)N(C)C)c1)c1ccccc1-n1cccn1 ZINC000183164819 822434138 /nfs/dbraw/zinc/43/41/38/822434138.db2.gz ZNUKUVJCQQNXME-MRXNPFEDSA-N 1 0 380.517 4.497 20 0 GIADRO O=C1C[C@@H](C[NH2+]Cc2ccc(SC(F)(F)F)cc2)CN1Cc1ccccc1 ZINC000179060231 822434280 /nfs/dbraw/zinc/43/42/80/822434280.db2.gz AJEZYSJJCCCTNF-KRWDZBQOSA-N 1 0 394.462 4.437 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1cccc(Cl)c1Cl)c1ccccc1-n1cccn1 ZINC000183170332 822435023 /nfs/dbraw/zinc/43/50/23/822435023.db2.gz IGKCREZXPLVVCD-CYBMUJFWSA-N 1 0 389.286 4.468 20 0 GIADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2nc3cc(Cl)ccc3s2)C1 ZINC000454170777 822435371 /nfs/dbraw/zinc/43/53/71/822435371.db2.gz YFFIRTNNSNPWNA-UMVBOHGHSA-N 1 0 377.941 4.427 20 0 GIADRO CC[NH+]1CCN(Cc2ccc(N[C@H](C)c3ccc(OC)c(COC)c3)cc2)CC1 ZINC000183181992 822436999 /nfs/dbraw/zinc/43/69/99/822436999.db2.gz RNRRZZAIIDKWLI-LJQANCHMSA-N 1 0 397.563 4.152 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)N1CC2(CCOCC2)[C@@H]2CCC[C@@H]21)c1ccccc1 ZINC000454191097 822437114 /nfs/dbraw/zinc/43/71/14/822437114.db2.gz JTJLOTADSURHCG-FSSWDIPSSA-N 1 0 399.579 4.060 20 0 GIADRO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)c(C)c1 ZINC000183187761 822437968 /nfs/dbraw/zinc/43/79/68/822437968.db2.gz DUOGVDCXDPHIBV-OAHLLOKOSA-N 1 0 394.441 4.183 20 0 GIADRO C[C@H]([NH2+]C[C@@H](c1ccccc1Cl)N1CCOCC1)c1ccc(Cl)nc1 ZINC000179100022 822438112 /nfs/dbraw/zinc/43/81/12/822438112.db2.gz JOODDRFZXYZZJA-KSSFIOAISA-N 1 0 380.319 4.113 20 0 GIADRO Cc1cc(Br)ccc1SCC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000046049629 822438205 /nfs/dbraw/zinc/43/82/05/822438205.db2.gz OLQIALAMICBPKL-UHFFFAOYSA-N 1 0 399.398 4.086 20 0 GIADRO CC(C)Oc1cccc(CN(C)C(=O)NCc2ccccc2C[NH+]2CCCC2)c1 ZINC000179101009 822438260 /nfs/dbraw/zinc/43/82/60/822438260.db2.gz BNFJPDOBAMPWSU-UHFFFAOYSA-N 1 0 395.547 4.411 20 0 GIADRO CSc1ccccc1NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000454213315 822439508 /nfs/dbraw/zinc/43/95/08/822439508.db2.gz WMTKXQCSDPURIL-UHFFFAOYSA-N 1 0 375.460 4.289 20 0 GIADRO O=C(NC1CC[NH+](C2CC2)CC1)N1CCC(F)(Cc2ccc(Cl)cc2)CC1 ZINC000454214784 822439514 /nfs/dbraw/zinc/43/95/14/822439514.db2.gz PKRBJEPZQSUEMS-UHFFFAOYSA-N 1 0 393.934 4.023 20 0 GIADRO O=C(NC1CC[NH+](C2CC2)CC1)N[C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000454213932 822439567 /nfs/dbraw/zinc/43/95/67/822439567.db2.gz OLJNOUXHZVFVLW-QFBILLFUSA-N 1 0 375.944 4.292 20 0 GIADRO CN(Cc1ccc(OC(F)F)cc1)C(=O)C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000046088491 822440632 /nfs/dbraw/zinc/44/06/32/822440632.db2.gz PRRZMKVDZVUCLN-QGZVFWFLSA-N 1 0 380.460 4.145 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1ccc(Cl)nc1 ZINC000179132504 822441392 /nfs/dbraw/zinc/44/13/92/822441392.db2.gz QKHCHURAWJBJSM-BLLLJJGKSA-N 1 0 395.837 4.183 20 0 GIADRO C[NH2+]C1CCN(C(=O)CS[C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000179133068 822441442 /nfs/dbraw/zinc/44/14/42/822441442.db2.gz HBOVVMURFKPENJ-NRFANRHFSA-N 1 0 388.964 4.373 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NC[C@]1(C)C[C@H]1c1ccccc1 ZINC000454238722 822442238 /nfs/dbraw/zinc/44/22/38/822442238.db2.gz MUGZQUPMLDTWQC-URXFXBBRSA-N 1 0 392.547 4.062 20 0 GIADRO CCC[N@H+](Cc1cnn(CC(C)C)c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000183220862 822443524 /nfs/dbraw/zinc/44/35/24/822443524.db2.gz WDZBAPPCHNDKQE-UHFFFAOYSA-N 1 0 382.552 4.056 20 0 GIADRO COc1cccc([C@@H](CNC(=O)c2ccccc2SC(F)(F)F)[NH+](C)C)c1 ZINC000046147210 822444124 /nfs/dbraw/zinc/44/41/24/822444124.db2.gz XALHPAFSRXICJA-MRXNPFEDSA-N 1 0 398.450 4.340 20 0 GIADRO C[N@@H+]1CCCN(c2ccc(NC(=O)[C@@H](OC(C)(C)C)c3ccccc3)cc2)CC1 ZINC000179153537 822444631 /nfs/dbraw/zinc/44/46/31/822444631.db2.gz SWTHIMNFVHXPOQ-QFIPXVFZSA-N 1 0 395.547 4.323 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccc(N4CCOC4=O)cc3)cc2)C1 ZINC000046156492 822445581 /nfs/dbraw/zinc/44/55/81/822445581.db2.gz RXQCVPPUADJVQC-KRWDZBQOSA-N 1 0 393.487 4.127 20 0 GIADRO C[C@@H]([NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1)c1cccc(CO)c1 ZINC000183237099 822446120 /nfs/dbraw/zinc/44/61/20/822446120.db2.gz KJQGTEREAQFCTI-NVXWUHKLSA-N 1 0 389.337 4.119 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1cc2c(cc1Br)OCCO2)c1cccc(CO)c1 ZINC000183241208 822446901 /nfs/dbraw/zinc/44/69/01/822446901.db2.gz LWHBLSITDDOJCX-CHWSQXEVSA-N 1 0 392.293 4.124 20 0 GIADRO COc1cccc([C@@H]2[C@H](NC(=O)[C@H]3C[C@@H]3c3sccc3C)CC[N@@H+]2C2CC2)c1 ZINC000183241433 822446968 /nfs/dbraw/zinc/44/69/68/822446968.db2.gz AMWCMXLLSWBVPL-UWHLTILDSA-N 1 0 396.556 4.263 20 0 GIADRO CCOc1ccc(NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)cc1OC ZINC000179172066 822447069 /nfs/dbraw/zinc/44/70/69/822447069.db2.gz SVGADQLZWVSIGR-UHFFFAOYSA-N 1 0 389.540 4.214 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Nc1cccc(OC(C)C)c1 ZINC000454273739 822447987 /nfs/dbraw/zinc/44/79/87/822447987.db2.gz KIWUFVMYTPIMMT-UHFFFAOYSA-N 1 0 382.508 4.178 20 0 GIADRO CCC[C@@H]1C[C@H](C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)CCO1 ZINC000183248299 822448181 /nfs/dbraw/zinc/44/81/81/822448181.db2.gz BRKLMSMZOVBDGM-RLLQIKCJSA-N 1 0 378.944 4.188 20 0 GIADRO C[C@H](NC1CC[NH+](Cc2ccccc2)CC1)c1ncc(Br)s1 ZINC000179188603 822448672 /nfs/dbraw/zinc/44/86/72/822448672.db2.gz YWSZURSDRXEELQ-ZDUSSCGKSA-N 1 0 380.355 4.221 20 0 GIADRO CC(C)(C)S(=O)(=O)CC[NH2+][C@@H]1CCCc2cc(SC(F)F)ccc21 ZINC000183255436 822449073 /nfs/dbraw/zinc/44/90/73/822449073.db2.gz XMVUSVCFDYUKLE-OAHLLOKOSA-N 1 0 377.522 4.182 20 0 GIADRO COc1cc(C[N@H+](C)C[C@@H](C)c2nccs2)ccc1OCc1ccncc1 ZINC000183257763 822449206 /nfs/dbraw/zinc/44/92/06/822449206.db2.gz VBTKKGVEWYDPRV-MRXNPFEDSA-N 1 0 383.517 4.361 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2cnc3ccc(F)cc3c2)CC1 ZINC000179197295 822449588 /nfs/dbraw/zinc/44/95/88/822449588.db2.gz RYEVNZROBSYLSE-KRWDZBQOSA-N 1 0 383.511 4.491 20 0 GIADRO C[C@H](NC1CC[NH+](CCc2ccccc2)CC1)c1ncc(Br)s1 ZINC000179203280 822450349 /nfs/dbraw/zinc/45/03/49/822450349.db2.gz CZAMZYCVAHERCJ-AWEZNQCLSA-N 1 0 394.382 4.263 20 0 GIADRO C[N@H+](CCCCNC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1)C1CC1 ZINC000454282455 822450498 /nfs/dbraw/zinc/45/04/98/822450498.db2.gz RAZYSAPBQVVIIQ-UHFFFAOYSA-N 1 0 398.473 4.302 20 0 GIADRO O=C(NCC[NH2+][C@@H]1CCc2c1cccc2Br)c1ccccc1Cl ZINC000179206286 822450903 /nfs/dbraw/zinc/45/09/03/822450903.db2.gz JYDUEUNYTLVMQA-QGZVFWFLSA-N 1 0 393.712 4.109 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000454291271 822452585 /nfs/dbraw/zinc/45/25/85/822452585.db2.gz XSWJFPFSIJHYHX-UHFFFAOYSA-N 1 0 378.517 4.115 20 0 GIADRO COc1ccccc1N1CC[C@@H](C[NH2+][C@@H](C)c2ncc(Br)s2)C1 ZINC000179221007 822453290 /nfs/dbraw/zinc/45/32/90/822453290.db2.gz GZWNWWHSNNOKKK-STQMWFEESA-N 1 0 396.354 4.091 20 0 GIADRO CO[C@H]1CCN(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)CC1(C)C ZINC000454306087 822455425 /nfs/dbraw/zinc/45/54/25/822455425.db2.gz HIQWQTLRPOHKNA-NQIIRXRSSA-N 1 0 387.568 4.018 20 0 GIADRO CCO[C@@H]1CCN(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)C[C@H]1C ZINC000454323401 822457980 /nfs/dbraw/zinc/45/79/80/822457980.db2.gz UUGKBXQLEVEMLJ-XQBPLPMBSA-N 1 0 387.568 4.018 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)N2CC[C@H](C(F)(F)F)C[C@H]2C)CC1 ZINC000454326832 822458155 /nfs/dbraw/zinc/45/81/55/822458155.db2.gz YBWWMFVNCGREPV-AEFFLSMTSA-N 1 0 397.485 4.332 20 0 GIADRO COC(=O)COc1ccccc1[C@H](C)[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000183321148 822458766 /nfs/dbraw/zinc/45/87/66/822458766.db2.gz RZWULOGCTUQHGL-KBPBESRZSA-N 1 0 379.403 4.252 20 0 GIADRO O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)c1ccc(C(=O)NC2CC2)cc1 ZINC000179270036 822459577 /nfs/dbraw/zinc/45/95/77/822459577.db2.gz UTFPCGIYNSEFLN-UHFFFAOYSA-N 1 0 391.515 4.207 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@@H]2CCN(c3ccc(Cl)cc3)C2)cc(OC)c1OC ZINC000183333806 822460187 /nfs/dbraw/zinc/46/01/87/822460187.db2.gz JJRRFEXTOKBWCZ-WMLDXEAASA-N 1 0 390.911 4.295 20 0 GIADRO O=C(NCC[NH2+]Cc1nc(-c2cc(Cl)ccc2Cl)cs1)c1ccco1 ZINC000179296910 822462399 /nfs/dbraw/zinc/46/23/99/822462399.db2.gz DRTWLCSKVKYSKC-UHFFFAOYSA-N 1 0 396.299 4.230 20 0 GIADRO C[C@H]1C[C@@H](C(F)(F)F)CCN1C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000454365983 822462750 /nfs/dbraw/zinc/46/27/50/822462750.db2.gz DGUIZDCSOHXNIP-LPHOPBHVSA-N 1 0 397.485 4.271 20 0 GIADRO COC(=O)COc1ccccc1[C@@H](C)[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000183358461 822463263 /nfs/dbraw/zinc/46/32/63/822463263.db2.gz XAEMHCNVSLHPQJ-ZIAGYGMSSA-N 1 0 379.403 4.252 20 0 GIADRO C[N@H+](Cc1ccccc1CNC(=O)NCc1cnc(C2CC2)o1)C1CCCCC1 ZINC000454368437 822463510 /nfs/dbraw/zinc/46/35/10/822463510.db2.gz OSXGHMFMKSMPBB-UHFFFAOYSA-N 1 0 396.535 4.316 20 0 GIADRO C[NH+](C)CCOc1cccc(CN[C@H](c2ccccc2)c2ccc(F)cn2)c1 ZINC000183368858 822464559 /nfs/dbraw/zinc/46/45/59/822464559.db2.gz SWYGXKIECXFCDD-HSZRJFAPSA-N 1 0 379.479 4.040 20 0 GIADRO C[N@@H+]1CC[C@@H](CNC(=O)NCc2ccsc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179312667 822464563 /nfs/dbraw/zinc/46/45/63/822464563.db2.gz SNFSQXWZVHOJJP-YOEHRIQHSA-N 1 0 381.904 4.033 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)N(Cc1ccco1)Cc1ccccc1)c1ccsc1 ZINC000046347196 822464619 /nfs/dbraw/zinc/46/46/19/822464619.db2.gz LCUJLQCBORQKTF-FQEVSTJZSA-N 1 0 383.517 4.356 20 0 GIADRO CCOc1ccc([C@H]2CCCN2C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc1 ZINC000046347297 822464689 /nfs/dbraw/zinc/46/46/89/822464689.db2.gz PFUDATKJZFJREJ-UXHICEINSA-N 1 0 387.549 4.296 20 0 GIADRO Cc1cc(Br)cc2cc(C(=O)NC3CC[NH+](CC4CC4)CC3)oc21 ZINC000179314159 822464796 /nfs/dbraw/zinc/46/47/96/822464796.db2.gz MHALIUATLLFTTL-UHFFFAOYSA-N 1 0 391.309 4.108 20 0 GIADRO C[C@@H]([NH2+]Cc1nnc(-c2ccc(Br)o2)o1)[C@@H](C)c1ccccc1 ZINC000183371522 822465001 /nfs/dbraw/zinc/46/50/01/822465001.db2.gz PZIRWYAKAYNTGZ-VXGBXAGGSA-N 1 0 376.254 4.374 20 0 GIADRO C[C@H](C[C@@H](O)c1ccco1)NC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000179324296 822466118 /nfs/dbraw/zinc/46/61/18/822466118.db2.gz BLSSKKNWAAIUTH-XMSQKQJNSA-N 1 0 392.499 4.154 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)NCCCC[N@H+](C)C1CC1 ZINC000454387203 822466915 /nfs/dbraw/zinc/46/69/15/822466915.db2.gz QYZZIDSQYIIOFT-MRXNPFEDSA-N 1 0 386.565 4.353 20 0 GIADRO CCc1ccccc1NC(=O)[C@H](C)[N@H+](CC)CC1CCN(c2ccccn2)CC1 ZINC000179348821 822469092 /nfs/dbraw/zinc/46/90/92/822469092.db2.gz WQJPEFANZBBJJS-IBGZPJMESA-N 1 0 394.563 4.210 20 0 GIADRO CCc1ccccc1NC(=O)[C@@H](C)[N@H+](CC)CC1CCN(c2ccccn2)CC1 ZINC000179348808 822469131 /nfs/dbraw/zinc/46/91/31/822469131.db2.gz WQJPEFANZBBJJS-LJQANCHMSA-N 1 0 394.563 4.210 20 0 GIADRO NC(=O)c1ccc(-c2nc(C[NH2+][C@@H](Cc3ccccc3)C3CC3)cs2)cc1 ZINC000183407725 822469629 /nfs/dbraw/zinc/46/96/29/822469629.db2.gz IQCZXFPUQZCIDL-FQEVSTJZSA-N 1 0 377.513 4.020 20 0 GIADRO C[N@@H+]1CCCN(c2ccc(NC(=O)Cc3ccc(Cl)cc3Cl)cc2)CC1 ZINC000046403904 822470354 /nfs/dbraw/zinc/47/03/54/822470354.db2.gz DTZOOWWFVPMEMR-UHFFFAOYSA-N 1 0 392.330 4.317 20 0 GIADRO C[N@@H+]1CCCN(c2ccc(NC(=O)c3ccc(SC(F)F)cc3)cc2)CC1 ZINC000046404051 822470451 /nfs/dbraw/zinc/47/04/51/822470451.db2.gz YVHRLKDOVHLNDP-UHFFFAOYSA-N 1 0 391.487 4.396 20 0 GIADRO Cc1ccc2c(c1)[C@H](NC(=O)NC1CC[NH+]([C@@H](C)c3ccncc3)CC1)CCC2 ZINC000179362058 822471273 /nfs/dbraw/zinc/47/12/73/822471273.db2.gz ODPAHZNHTSOYQL-FDDCHVKYSA-N 1 0 392.547 4.292 20 0 GIADRO O=C(NC[C@H]1CCCCC1(F)F)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000454415890 822471934 /nfs/dbraw/zinc/47/19/34/822471934.db2.gz VOXKUUPLYVPWQP-JKSUJKDBSA-N 1 0 385.524 4.085 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)C1 ZINC000046426631 822472277 /nfs/dbraw/zinc/47/22/77/822472277.db2.gz FOONEYCHDRFOQD-OTWHNJEPSA-N 1 0 398.551 4.085 20 0 GIADRO Cc1cc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc(N3CCCC3=O)c2)c(C)s1 ZINC000179371988 822472904 /nfs/dbraw/zinc/47/29/04/822472904.db2.gz YMMAROBAQWUQOH-GJZGRUSLSA-N 1 0 385.533 4.170 20 0 GIADRO Fc1cccc([C@@H](C[NH2+][C@H](c2ccco2)c2ccccc2)N2CCOCC2)c1 ZINC000183424289 822472928 /nfs/dbraw/zinc/47/29/28/822472928.db2.gz UPJGNLRNWRHSKB-GGAORHGYSA-N 1 0 380.463 4.171 20 0 GIADRO Cc1cc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(N3CCCC3=O)cc2)c(C)s1 ZINC000179372956 822473099 /nfs/dbraw/zinc/47/30/99/822473099.db2.gz MNAFNJAASMSTPH-LSDHHAIUSA-N 1 0 385.533 4.170 20 0 GIADRO COc1cc([C@H](C)[NH2+]C[C@@]2(C)CCCc3ccccc32)ccc1S(C)(=O)=O ZINC000183431525 822474015 /nfs/dbraw/zinc/47/40/15/822474015.db2.gz UBZRGYJVUBADIT-KSFYIVLOSA-N 1 0 387.545 4.044 20 0 GIADRO C[N@H+](CCCCNC(=O)N[C@H]1CCOc2c(-c3ccccc3)cccc21)C1CC1 ZINC000454427527 822473995 /nfs/dbraw/zinc/47/39/95/822473995.db2.gz LTZYVUUVOINTMY-QFIPXVFZSA-N 1 0 393.531 4.351 20 0 GIADRO Cc1c([C@@H](C)[NH2+]CC(=O)Nc2ccccc2Sc2ccccc2)cnn1C ZINC000183434206 822474249 /nfs/dbraw/zinc/47/42/49/822474249.db2.gz DXSMGTHPIDSPLL-OAHLLOKOSA-N 1 0 380.517 4.169 20 0 GIADRO C[C@@H](CCNC(=O)Nc1cccc(COCc2ccco2)c1)[NH+]1CCCCC1 ZINC000183449927 822476812 /nfs/dbraw/zinc/47/68/12/822476812.db2.gz GCBNHQZXDKCSLD-SFHVURJKSA-N 1 0 385.508 4.382 20 0 GIADRO Cc1cc2ncc([C@H](C)[NH2+]Cc3cc(F)cc(Br)c3)c(C)n2n1 ZINC000179402881 822477818 /nfs/dbraw/zinc/47/78/18/822477818.db2.gz ZFWQOKJCUGHGNG-NSHDSACASA-N 1 0 377.261 4.099 20 0 GIADRO Cc1cc2ncc([C@@H](C)[NH2+]CC3(c4cccc(Cl)c4)CCOCC3)c(C)n2n1 ZINC000179405088 822478011 /nfs/dbraw/zinc/47/80/11/822478011.db2.gz IWCUPQKMZAJAEV-MRXNPFEDSA-N 1 0 398.938 4.399 20 0 GIADRO COc1cc(F)c([C@H](C)[NH2+]Cc2ccc(-n3nc(C)cc3C)cc2)cc1OC ZINC000183468114 822479610 /nfs/dbraw/zinc/47/96/10/822479610.db2.gz HJMXOMWZFPMNII-INIZCTEOSA-N 1 0 383.467 4.496 20 0 GIADRO COc1cc(C)ccc1Oc1ccc(NC(=O)NCCCC[N@H+](C)C2CC2)cn1 ZINC000454467380 822480009 /nfs/dbraw/zinc/48/00/09/822480009.db2.gz SXHKYYMLZCOKSL-UHFFFAOYSA-N 1 0 398.507 4.187 20 0 GIADRO O=C(NC1CC[NH+](Cc2cc(Cl)cc3cccnc32)CC1)c1ccc(F)cc1 ZINC000046515749 822480202 /nfs/dbraw/zinc/48/02/02/822480202.db2.gz PURSKUJYPFAANG-UHFFFAOYSA-N 1 0 397.881 4.422 20 0 GIADRO CC[C@H](C)[NH+]1CCN(C(=O)Nc2ccccc2COCc2ccccc2)CC1 ZINC000454476130 822481140 /nfs/dbraw/zinc/48/11/40/822481140.db2.gz IMIOJQOYHKNPSZ-IBGZPJMESA-N 1 0 381.520 4.351 20 0 GIADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3cc(F)c(OC(C)(C)C)c(F)c3)CC[C@@H]21 ZINC000183479566 822482313 /nfs/dbraw/zinc/48/23/13/822482313.db2.gz KDZXPPGHGMBLOH-DYVFJYSZSA-N 1 0 381.467 4.090 20 0 GIADRO Cc1ccnc(-c2ccc(NC(=O)N[C@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)cc2)n1 ZINC000183483919 822483430 /nfs/dbraw/zinc/48/34/30/822483430.db2.gz JTQPKTAWGHTFAA-IEBWSBKVSA-N 1 0 393.535 4.227 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](c3cc(C)cc(C)c3)C2)c1 ZINC000183485074 822483608 /nfs/dbraw/zinc/48/36/08/822483608.db2.gz UYVQORIGRYPYEP-PKOBYXMFSA-N 1 0 379.504 4.078 20 0 GIADRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(-c3ccc(Br)cc3)o2)C1 ZINC000179444347 822483994 /nfs/dbraw/zinc/48/39/94/822483994.db2.gz AJNGLJIBYRJLLT-HNNXBMFYSA-N 1 0 391.309 4.009 20 0 GIADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000179447354 822484479 /nfs/dbraw/zinc/48/44/79/822484479.db2.gz HNBZFRIYUFCPKC-LJQANCHMSA-N 1 0 393.531 4.037 20 0 GIADRO CC1CC[NH+](Cc2ccc(CNS(=O)(=O)c3ccccc3Cl)cc2)CC1 ZINC000046577924 822487698 /nfs/dbraw/zinc/48/76/98/822487698.db2.gz IUVRWIGUVKQORX-UHFFFAOYSA-N 1 0 392.952 4.050 20 0 GIADRO C[C@H](NC(=O)Nc1ccc2nc(C3CC3)oc2c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183511723 822488101 /nfs/dbraw/zinc/48/81/01/822488101.db2.gz MEHIJXVRISJPPB-GOEBONIOSA-N 1 0 382.508 4.480 20 0 GIADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000183513726 822488354 /nfs/dbraw/zinc/48/83/54/822488354.db2.gz YAQFRJVRJOSXIX-HNJNHCNJSA-N 1 0 394.302 4.225 20 0 GIADRO COCCOc1ccc([C@H](C)[NH2+]C[C@H](C)c2nc(-c3ccccc3)no2)cc1 ZINC000179478146 822488313 /nfs/dbraw/zinc/48/83/13/822488313.db2.gz GOGUNKKSMGBIGK-IRXDYDNUSA-N 1 0 381.476 4.216 20 0 GIADRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000183513666 822488418 /nfs/dbraw/zinc/48/84/18/822488418.db2.gz YAQFRJVRJOSXIX-WBHUJUFNSA-N 1 0 394.302 4.225 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)Nc2cc(F)c(OC(C)(C)C)c(F)c2)CC1 ZINC000183524204 822489605 /nfs/dbraw/zinc/48/96/05/822489605.db2.gz HLZCKEZRHYIPKX-UHFFFAOYSA-N 1 0 383.483 4.480 20 0 GIADRO C[C@@H](NC(=O)Nc1ccccc1OCC(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183522483 822489627 /nfs/dbraw/zinc/48/96/27/822489627.db2.gz OWBISOQLCOXMIO-CABCVRRESA-N 1 0 381.467 4.105 20 0 GIADRO Cc1ccc(NC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1-c1ncco1 ZINC000183526816 822490034 /nfs/dbraw/zinc/49/00/34/822490034.db2.gz COZWGFLJUAZZTR-DLBZAZTESA-N 1 0 382.508 4.425 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1)c1ccc(-n2cncn2)cc1 ZINC000179493942 822490458 /nfs/dbraw/zinc/49/04/58/822490458.db2.gz XZLPHQHSFSXMAN-IWMITWMQSA-N 1 0 381.911 4.017 20 0 GIADRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)Nc1cccc(Cn2ccnc2C(C)C)c1 ZINC000454520492 822490478 /nfs/dbraw/zinc/49/04/78/822490478.db2.gz XLNVFXALCXUIFR-HXUWFJFHSA-N 1 0 383.540 4.003 20 0 GIADRO C[C@H]([NH2+][C@@H](CNC(=O)OC(C)(C)C)c1ccc2ccccc2c1)[C@H]1CCOC1 ZINC000179495246 822490734 /nfs/dbraw/zinc/49/07/34/822490734.db2.gz CMUJUHIRCRAWJZ-NDXORKPFSA-N 1 0 384.520 4.420 20 0 GIADRO O=C(NCCCCC[NH+]1CCCC1)NC(c1cccs1)c1cccs1 ZINC000454522496 822490742 /nfs/dbraw/zinc/49/07/42/822490742.db2.gz APHIYJIDNGQHSW-UHFFFAOYSA-N 1 0 377.579 4.464 20 0 GIADRO O=C(Nc1ccc(COc2ccccc2)cc1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000179498147 822491586 /nfs/dbraw/zinc/49/15/86/822491586.db2.gz VXZWBMCZUXNGKV-OAQYLSRUSA-N 1 0 379.504 4.358 20 0 GIADRO C[C@@H](NC(=O)NCCCC[NH+]1CCC(C)CC1)c1cccc(OC(F)F)c1 ZINC000046609369 822491754 /nfs/dbraw/zinc/49/17/54/822491754.db2.gz SEVWOEQOOORJOF-MRXNPFEDSA-N 1 0 383.483 4.160 20 0 GIADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)Nc3cccc(OCc4cccc(F)c4)c3)C2)C1 ZINC000454530768 822492272 /nfs/dbraw/zinc/49/22/72/822492272.db2.gz SEWMFYCPXDAUNI-HSZRJFAPSA-N 1 0 397.494 4.354 20 0 GIADRO C[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)c(F)c1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000179503973 822492518 /nfs/dbraw/zinc/49/25/18/822492518.db2.gz YYJAQEMCUPLIRY-BLVKFPJESA-N 1 0 391.874 4.147 20 0 GIADRO COC(=O)COc1ccccc1[C@H](C)[NH2+]Cc1ccc(OC)cc1C(F)(F)F ZINC000183543263 822492675 /nfs/dbraw/zinc/49/26/75/822492675.db2.gz OHXAAERHOMUSGV-ZDUSSCGKSA-N 1 0 397.393 4.117 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)Cc2cccc3cccnc32)cc1 ZINC000046615730 822493159 /nfs/dbraw/zinc/49/31/59/822493159.db2.gz IXPHQJDGJIUJKF-LJQANCHMSA-N 1 0 387.527 4.468 20 0 GIADRO C[C@H](NCc1ccnc(OCC[NH+](C)C)c1)c1cc(Cl)ccc1OC(F)F ZINC000179511327 822493672 /nfs/dbraw/zinc/49/36/72/822493672.db2.gz JAHRKBSBRRQKCP-ZDUSSCGKSA-N 1 0 399.869 4.128 20 0 GIADRO COc1ccccc1OC[C@@H](C)C[NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000179512286 822493860 /nfs/dbraw/zinc/49/38/60/822493860.db2.gz QQZNZAHFKKWLLR-DLBZAZTESA-N 1 0 384.476 4.018 20 0 GIADRO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000179514160 822494355 /nfs/dbraw/zinc/49/43/55/822494355.db2.gz RFWHWFIPFUWESC-ZIAGYGMSSA-N 1 0 391.393 4.034 20 0 GIADRO CC(C)COc1ccc([C@@H](C)[NH2+][C@H](C)Cn2ncc3ccccc3c2=O)cc1 ZINC000179515552 822494591 /nfs/dbraw/zinc/49/45/91/822494591.db2.gz MQADUBHVTSWHDQ-QZTJIDSGSA-N 1 0 379.504 4.171 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cccnc1C(F)(F)F ZINC000179516491 822494882 /nfs/dbraw/zinc/49/48/82/822494882.db2.gz PBBKUOQPLNWJOF-QGZVFWFLSA-N 1 0 391.437 4.085 20 0 GIADRO CC(C)CN(Cc1cnn(C)c1)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000454547448 822495182 /nfs/dbraw/zinc/49/51/82/822495182.db2.gz GPKGTKRIVYTPAU-UHFFFAOYSA-N 1 0 397.567 4.139 20 0 GIADRO c1ccc(-c2nc3ccccn3c2C[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)cc1 ZINC000179517443 822495239 /nfs/dbraw/zinc/49/52/39/822495239.db2.gz IBDUQDYVHDGLJM-IBGZPJMESA-N 1 0 398.514 4.376 20 0 GIADRO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H](C)c1ccccc1OC(F)(F)F ZINC000179517715 822495532 /nfs/dbraw/zinc/49/55/32/822495532.db2.gz AJSQZMKJOQRLBQ-KGLIPLIRSA-N 1 0 391.393 4.034 20 0 GIADRO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000179518096 822495788 /nfs/dbraw/zinc/49/57/88/822495788.db2.gz JIDBOCFCLSHCGR-ZIAGYGMSSA-N 1 0 375.394 4.155 20 0 GIADRO O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000179519329 822496029 /nfs/dbraw/zinc/49/60/29/822496029.db2.gz NZDSSHVYXITMIW-IRXDYDNUSA-N 1 0 387.421 4.089 20 0 GIADRO CCOCc1ccccc1CNC(=O)C[NH2+][C@@H](C)c1oc2ccccc2c1C ZINC000183576891 822496672 /nfs/dbraw/zinc/49/66/72/822496672.db2.gz ABOGXLDWFXTSPC-KRWDZBQOSA-N 1 0 380.488 4.245 20 0 GIADRO COCc1cc([C@H](C)[NH2+][C@@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)ccc1OC ZINC000179523793 822496802 /nfs/dbraw/zinc/49/68/02/822496802.db2.gz IFFLEIROBPNRRV-UPNLOYSTSA-N 1 0 390.474 4.216 20 0 GIADRO CC(C)Cc1ccc([C@H](C)C(=O)NC2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000179526406 822497023 /nfs/dbraw/zinc/49/70/23/822497023.db2.gz BKVFEADMJXGUFW-IBGZPJMESA-N 1 0 379.548 4.164 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2oc3ccccc3c2C)c1 ZINC000183579164 822497050 /nfs/dbraw/zinc/49/70/50/822497050.db2.gz QIAZVWWCXOLCDC-CABCVRRESA-N 1 0 379.460 4.377 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2oc3ccccc3c2C)c1 ZINC000183579219 822497128 /nfs/dbraw/zinc/49/71/28/822497128.db2.gz QIAZVWWCXOLCDC-LSDHHAIUSA-N 1 0 379.460 4.377 20 0 GIADRO CC[C@H]([NH2+]Cc1ccc(Br)cc1C(F)(F)F)c1cnn(C)c1 ZINC000179527177 822497253 /nfs/dbraw/zinc/49/72/53/822497253.db2.gz DXYNIKXWQWGDEJ-AWEZNQCLSA-N 1 0 376.220 4.442 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)c1cccc(Br)c1)c1cccc(-n2cccn2)c1 ZINC000183581160 822497402 /nfs/dbraw/zinc/49/74/02/822497402.db2.gz QTVWHNJNCPUCLZ-AUUYWEPGSA-N 1 0 386.293 4.019 20 0 GIADRO CCn1nc(C)c(NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)c1C ZINC000179531158 822498315 /nfs/dbraw/zinc/49/83/15/822498315.db2.gz DKFUHCVOFNAXBX-FQEVSTJZSA-N 1 0 383.540 4.115 20 0 GIADRO Cc1nc(C(F)(F)F)c(CN(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000183593122 822498641 /nfs/dbraw/zinc/49/86/41/822498641.db2.gz FSERCWRMVXWOFF-INIZCTEOSA-N 1 0 383.483 4.424 20 0 GIADRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCc1csc(C(C)(C)C)n1 ZINC000179535924 822499222 /nfs/dbraw/zinc/49/92/22/822499222.db2.gz UMEOJIBUFHUCCJ-LBPRGKRZSA-N 1 0 380.945 4.038 20 0 GIADRO Cc1c2ccccc2oc1[C@H](C)[NH2+]CC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000183598994 822499491 /nfs/dbraw/zinc/49/94/91/822499491.db2.gz QFRINXXISIBOPS-INIZCTEOSA-N 1 0 391.471 4.157 20 0 GIADRO CCn1nc(C)c(NC(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)c1C ZINC000179542902 822500235 /nfs/dbraw/zinc/50/02/35/822500235.db2.gz AXBTWKDQCFMCOR-GOSISDBHSA-N 1 0 389.931 4.132 20 0 GIADRO C[C@H](OCc1ccccc1)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000046670156 822501597 /nfs/dbraw/zinc/50/15/97/822501597.db2.gz PYLRYBSWSJVNJA-KRWDZBQOSA-N 1 0 386.923 4.026 20 0 GIADRO Cc1nc(C(F)(F)F)c(C[NH2+][C@](C)(CNC(=O)OC(C)(C)C)C2CC2)s1 ZINC000183615418 822501697 /nfs/dbraw/zinc/50/16/97/822501697.db2.gz SUFCPZYFQCNNKO-MRXNPFEDSA-N 1 0 393.475 4.253 20 0 GIADRO Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000183627882 822503185 /nfs/dbraw/zinc/50/31/85/822503185.db2.gz DOANYAGITHRKHX-HNAYVOBHSA-N 1 0 383.540 4.002 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[NH2+]C(C)(C)c1cccc(F)c1 ZINC000179572276 822505336 /nfs/dbraw/zinc/50/53/36/822505336.db2.gz UVLCAMUTEJHQCR-UHFFFAOYSA-N 1 0 380.467 4.092 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1cccc(OC(F)F)c1)C(=O)N(C)Cc1cccc(F)c1 ZINC000179573200 822505606 /nfs/dbraw/zinc/50/56/06/822505606.db2.gz MXWGSNFUAUGFEI-UONOGXRCSA-N 1 0 380.410 4.125 20 0 GIADRO CC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cccc(OC(F)F)c2)c1 ZINC000179574768 822505949 /nfs/dbraw/zinc/50/59/49/822505949.db2.gz BXWZMZSYTRNFCX-STQMWFEESA-N 1 0 376.403 4.168 20 0 GIADRO COc1ccc2c(C[NH2+][C@@H](C)c3cccc(OC(F)F)c3)cc(=O)oc2c1 ZINC000179578716 822506370 /nfs/dbraw/zinc/50/63/70/822506370.db2.gz LPYDLYMGKOABOV-LBPRGKRZSA-N 1 0 375.371 4.254 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CCC(=O)c2cccs2)C1 ZINC000046714370 822508761 /nfs/dbraw/zinc/50/87/61/822508761.db2.gz NHZRNNRDARQGFU-KRWDZBQOSA-N 1 0 384.545 4.259 20 0 GIADRO CSCC1CCC(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000454630814 822509523 /nfs/dbraw/zinc/50/95/23/822509523.db2.gz ZCQAPAOVJMQOLS-VWEINGBSSA-N 1 0 389.609 4.118 20 0 GIADRO COc1ccc([C@@H]2CCCN2C(=O)C[NH2+]C(C)(C)c2cccc(C)c2)cc1OC ZINC000179597834 822509782 /nfs/dbraw/zinc/50/97/82/822509782.db2.gz PEVQVMQLPKZEBJ-FQEVSTJZSA-N 1 0 396.531 4.201 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)c2occc2COc2ccccc2)cc1 ZINC000046722736 822509802 /nfs/dbraw/zinc/50/98/02/822509802.db2.gz PVNQFFSDQYPVNH-UHFFFAOYSA-N 1 0 380.444 4.051 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)c2ccc(C3SCCS3)cc2)cc1 ZINC000046721567 822509806 /nfs/dbraw/zinc/50/98/06/822509806.db2.gz FIWSOIAMUCTVPW-UHFFFAOYSA-N 1 0 388.558 4.358 20 0 GIADRO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000179608834 822512042 /nfs/dbraw/zinc/51/20/42/822512042.db2.gz OHLSKRQWOBHGHC-QWHCGFSZSA-N 1 0 398.400 4.436 20 0 GIADRO COC(=O)COc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCCO[C@@H]1c1ccc(C)cc1 ZINC000183691401 822512274 /nfs/dbraw/zinc/51/22/74/822512274.db2.gz BBYSYCVSUUDPPC-VAXXYWNWSA-N 1 0 397.515 4.365 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000046751163 822512798 /nfs/dbraw/zinc/51/27/98/822512798.db2.gz WKEWBKOVHQWNLY-INIZCTEOSA-N 1 0 386.515 4.029 20 0 GIADRO COCCCOC1CC[NH+]([C@@H]2CCCc3ccc(Br)cc32)CC1 ZINC000179613520 822512869 /nfs/dbraw/zinc/51/28/69/822512869.db2.gz XWRSWFCKJIMCGC-LJQANCHMSA-N 1 0 382.342 4.344 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000046750699 822512947 /nfs/dbraw/zinc/51/29/47/822512947.db2.gz FBRZAJFVFRUASY-GOSISDBHSA-N 1 0 395.551 4.016 20 0 GIADRO CC[NH+](CC)CCOc1cc(NC(=O)N2CC[C@H](CC3CC3)C2)ccc1OC ZINC000454661434 822513723 /nfs/dbraw/zinc/51/37/23/822513723.db2.gz XACXYAGLQBQTCI-GOSISDBHSA-N 1 0 389.540 4.070 20 0 GIADRO COc1cc(C)c([C@@H](C)[NH2+]CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)cc1OC ZINC000179619936 822514150 /nfs/dbraw/zinc/51/41/50/822514150.db2.gz IOTFCNAEZOCOFE-CVEARBPZSA-N 1 0 388.483 4.022 20 0 GIADRO COc1cc(C)c([C@@H](C)[NH2+]CC(=O)N(C)[C@H](C)c2ccc(F)cc2)cc1OC ZINC000179619966 822514188 /nfs/dbraw/zinc/51/41/88/822514188.db2.gz IOTFCNAEZOCOFE-HZPDHXFCSA-N 1 0 388.483 4.022 20 0 GIADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc3cc(C)cc(Br)c3o2)C1 ZINC000183703624 822514297 /nfs/dbraw/zinc/51/42/97/822514297.db2.gz BKKKZAJPHFWNHR-AWEZNQCLSA-N 1 0 393.325 4.308 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc3cc(C)cc(Br)c3o2)C1 ZINC000183704357 822514327 /nfs/dbraw/zinc/51/43/27/822514327.db2.gz RXQOSNYAUUJLEL-CQSZACIVSA-N 1 0 393.325 4.308 20 0 GIADRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N(Cc2ccco2)Cc2ccco2)C1 ZINC000046763057 822514482 /nfs/dbraw/zinc/51/44/82/822514482.db2.gz PQVJRXRUCGFYCX-OALUTQOASA-N 1 0 387.524 4.343 20 0 GIADRO O=C1c2ccccc2C(=O)N1CCCC[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000183706219 822514683 /nfs/dbraw/zinc/51/46/83/822514683.db2.gz GHMJKKPIOCSSLZ-UHFFFAOYSA-N 1 0 382.426 4.021 20 0 GIADRO COc1ccc(-c2nc(C[NH2+][C@@H](CCO)C3CCCCC3)cs2)cc1OC ZINC000183712209 822515356 /nfs/dbraw/zinc/51/53/56/822515356.db2.gz INTOPVKRIMAYTC-SFHVURJKSA-N 1 0 390.549 4.248 20 0 GIADRO COc1ccc(-c2nc(C[NH2+][C@H](CCO)C3CCCCC3)cs2)cc1OC ZINC000183712229 822515378 /nfs/dbraw/zinc/51/53/78/822515378.db2.gz INTOPVKRIMAYTC-GOSISDBHSA-N 1 0 390.549 4.248 20 0 GIADRO Fc1ccc([C@H]([NH2+][C@H]2CCN(c3ncccc3Cl)C2)c2ccccc2)nc1 ZINC000183713874 822515587 /nfs/dbraw/zinc/51/55/87/822515587.db2.gz NYKKNGVQZNNKEZ-FXAWDEMLSA-N 1 0 382.870 4.227 20 0 GIADRO Cc1nn(-c2ccccc2)cc1NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000183715023 822515727 /nfs/dbraw/zinc/51/57/27/822515727.db2.gz SFPIQDDDSOWYNP-AZUAARDMSA-N 1 0 395.551 4.299 20 0 GIADRO Cc1nn(-c2ccccc2)cc1NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000183715044 822515765 /nfs/dbraw/zinc/51/57/65/822515765.db2.gz SFPIQDDDSOWYNP-ICSRJNTNSA-N 1 0 395.551 4.299 20 0 GIADRO Cc1cccc([C@H](C)[NH2+]CCC(=O)Nc2ccc(N3CCCC3=O)cc2)c1C ZINC000183718276 822516212 /nfs/dbraw/zinc/51/62/12/822516212.db2.gz RVOKECZGWXUVNS-SFHVURJKSA-N 1 0 379.504 4.110 20 0 GIADRO COc1cc(C)c([C@H](C)[NH2+]CC(=O)Nc2sc(C)c(C)c2C)cc1OC ZINC000179634111 822516739 /nfs/dbraw/zinc/51/67/39/822516739.db2.gz FSBUNCUYOMTWQX-AWEZNQCLSA-N 1 0 376.522 4.288 20 0 GIADRO COc1cc(C)c([C@@H](C)[NH2+]CC(=O)N[C@H](C)c2ccccc2Cl)cc1OC ZINC000179635100 822517001 /nfs/dbraw/zinc/51/70/01/822517001.db2.gz XINZQDGISSEFLM-HUUCEWRRSA-N 1 0 390.911 4.194 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)Nc2cccc(-c3ccc4c(c3)CCO4)c2)CC[N@@H+]1C ZINC000179637796 822517420 /nfs/dbraw/zinc/51/74/20/822517420.db2.gz WSGUPOCUKAQKIU-IIBYNOLFSA-N 1 0 379.504 4.235 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CC(=O)NC(=O)Nc1ccccc1 ZINC000183731703 822518189 /nfs/dbraw/zinc/51/81/89/822518189.db2.gz QJJOWUFTYHKPNM-AWEZNQCLSA-N 1 0 394.500 4.117 20 0 GIADRO COc1cccc(CNC(=O)C[NH2+][C@H](C)c2sc(-c3ccccc3)nc2C)c1 ZINC000183737621 822519360 /nfs/dbraw/zinc/51/93/60/822519360.db2.gz HKEFRCCPZGRROW-OAHLLOKOSA-N 1 0 395.528 4.094 20 0 GIADRO Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]Cc2ccc(N3CCOC3=O)cc2)c1 ZINC000183742916 822520532 /nfs/dbraw/zinc/52/05/32/822520532.db2.gz ZIZZOIUNBGIWKJ-CQSZACIVSA-N 1 0 376.403 4.404 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CC(=O)Nc1ccc(Cl)cn1 ZINC000183744282 822520789 /nfs/dbraw/zinc/52/07/89/822520789.db2.gz CNKAUAJYSZXYLY-LBPRGKRZSA-N 1 0 386.908 4.456 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000183745006 822521028 /nfs/dbraw/zinc/52/10/28/822521028.db2.gz XMAHVXMREHQIQZ-ACJLOTCBSA-N 1 0 383.473 4.411 20 0 GIADRO COc1ccc(O[C@H](C)C(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)cc1 ZINC000046838444 822522697 /nfs/dbraw/zinc/52/26/97/822522697.db2.gz ZUQYQTKJACMGCU-RTBURBONSA-N 1 0 396.531 4.153 20 0 GIADRO CC(C)Oc1cccc([C@H](C)[NH2+]CC(=O)N(C)c2nc3ccccc3s2)c1 ZINC000179664218 822522729 /nfs/dbraw/zinc/52/27/29/822522729.db2.gz KSXUFIFRIMRBLK-HNNXBMFYSA-N 1 0 383.517 4.397 20 0 GIADRO CN(C)C(=O)c1cccc(C[NH2+]Cc2ccc(OCc3cccc(F)c3)cc2)c1 ZINC000046837341 822522732 /nfs/dbraw/zinc/52/27/32/822522732.db2.gz IAEYARYSIGLSFM-UHFFFAOYSA-N 1 0 392.474 4.396 20 0 GIADRO COc1ccc(Cl)cc1[C@H](CC(C)C)[NH2+]CC(=O)N(C)c1nccs1 ZINC000179665171 822522934 /nfs/dbraw/zinc/52/29/34/822522934.db2.gz GXDRBRVKPURHGM-HNNXBMFYSA-N 1 0 381.929 4.145 20 0 GIADRO C[C@H](OCc1ccccc1)C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000046841928 822523170 /nfs/dbraw/zinc/52/31/70/822523170.db2.gz NIZDXPIKUPOSKX-FQEVSTJZSA-N 1 0 380.532 4.140 20 0 GIADRO CC(C)Oc1ccc2ccccc2c1CNC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000183774290 822526460 /nfs/dbraw/zinc/52/64/60/822526460.db2.gz WDXSYCQWNIVVOB-UHFFFAOYSA-N 1 0 383.536 4.299 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1ccc(F)cc1F)c1cccc(OCc2ccccn2)c1 ZINC000179687532 822527640 /nfs/dbraw/zinc/52/76/40/822527640.db2.gz JNAJOCLMNWORBU-HNNXBMFYSA-N 1 0 397.425 4.228 20 0 GIADRO C[C@@H]([NH2+]CC(=O)NCC1CCCCC1)c1cccc(OCc2ccccn2)c1 ZINC000179688087 822527856 /nfs/dbraw/zinc/52/78/56/822527856.db2.gz XNZWSRUKPALPCV-GOSISDBHSA-N 1 0 381.520 4.008 20 0 GIADRO C[C@H]([NH2+]CC(=O)N[C@H]1CCCC[C@H]1C)c1cccc(OCc2ccccn2)c1 ZINC000179692590 822528498 /nfs/dbraw/zinc/52/84/98/822528498.db2.gz WUBWFCDUNJWIKJ-FGSXEWAUSA-N 1 0 381.520 4.006 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1cccc(OCc2ccccn2)c1)C(=O)N(C)C1CCCCC1 ZINC000179694440 822529016 /nfs/dbraw/zinc/52/90/16/822529016.db2.gz KCSSQGLLKNPIFE-RTBURBONSA-N 1 0 395.547 4.491 20 0 GIADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)NC[C@@]2(C)CCCc3ccccc32)CC1 ZINC000179699126 822529959 /nfs/dbraw/zinc/52/99/59/822529959.db2.gz SOMDQGCANUBCNI-XMMPIXPASA-N 1 0 395.547 4.180 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)C[C@@H](O)c1ccc(Cl)cc1 ZINC000179699448 822530087 /nfs/dbraw/zinc/53/00/87/822530087.db2.gz QBTCKTZAGCGHLW-LJQANCHMSA-N 1 0 390.911 4.123 20 0 GIADRO COC(=O)COc1ccccc1[C@@H](C)[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000183805377 822530108 /nfs/dbraw/zinc/53/01/08/822530108.db2.gz QERQSXBIWOEZEJ-QGZVFWFLSA-N 1 0 376.456 4.151 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cc2c(cc1C)OCO2 ZINC000183806389 822530330 /nfs/dbraw/zinc/53/03/30/822530330.db2.gz UOSRFBRGNFQGDB-IBGZPJMESA-N 1 0 395.503 4.100 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cc2c(cc1C)OCO2 ZINC000183806370 822530378 /nfs/dbraw/zinc/53/03/78/822530378.db2.gz UOSRFBRGNFQGDB-LJQANCHMSA-N 1 0 395.503 4.100 20 0 GIADRO COc1cc([C@@H](C)[NH2+]CCc2scnc2C)ccc1OCc1ccncc1 ZINC000179706193 822531807 /nfs/dbraw/zinc/53/18/07/822531807.db2.gz PRKOCKVEKTXIQQ-OAHLLOKOSA-N 1 0 383.517 4.327 20 0 GIADRO Cc1ccccc1-c1ccc(Cl)c(C(=O)NCCCC[NH+]2CCOCC2)c1 ZINC000454778233 822532350 /nfs/dbraw/zinc/53/23/50/822532350.db2.gz ZQTNBETYBFAPHI-UHFFFAOYSA-N 1 0 386.923 4.158 20 0 GIADRO COc1cc(C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc(OC)c1OC ZINC000046934540 822532528 /nfs/dbraw/zinc/53/25/28/822532528.db2.gz WKOLITYJGRXXRU-MRXNPFEDSA-N 1 0 398.503 4.197 20 0 GIADRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000179711229 822532655 /nfs/dbraw/zinc/53/26/55/822532655.db2.gz NPAIANWBZROAMK-CRAIPNDOSA-N 1 0 376.460 4.195 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3CC(=O)Nc4cc(F)ccc43)cc2)C1 ZINC000046934694 822532676 /nfs/dbraw/zinc/53/26/76/822532676.db2.gz VFFZZXSGGJNSSH-FOIQADDNSA-N 1 0 395.478 4.122 20 0 GIADRO Cc1ccc(-c2cnc(CCC(=O)NC[C@@H](C3CCCCC3)[NH+](C)C)o2)cc1 ZINC000046949230 822533547 /nfs/dbraw/zinc/53/35/47/822533547.db2.gz KZCYTCSOINBGRB-FQEVSTJZSA-N 1 0 383.536 4.209 20 0 GIADRO C[C@@H](CNC(=O)CCc1ncc(-c2ccccc2Cl)o1)[N@@H+]1CCC[C@@H](C)C1 ZINC000046952422 822533739 /nfs/dbraw/zinc/53/37/39/822533739.db2.gz YUVQQTLYJYJIHB-CVEARBPZSA-N 1 0 389.927 4.164 20 0 GIADRO Cc1ccc(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)cc1NC(=O)c1ccco1 ZINC000046988524 822536041 /nfs/dbraw/zinc/53/60/41/822536041.db2.gz ODYLRRATLAYRAB-SFHVURJKSA-N 1 0 397.519 4.225 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1cccc(NC(=O)OC(C)(C)C)c1 ZINC000046989563 822536054 /nfs/dbraw/zinc/53/60/54/822536054.db2.gz AAQXUWTVVXHWBF-KRWDZBQOSA-N 1 0 389.540 4.418 20 0 GIADRO Cc1noc(C)c1COc1ccccc1C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000046990418 822536060 /nfs/dbraw/zinc/53/60/60/822536060.db2.gz PSJWSDASTFIWJR-KRWDZBQOSA-N 1 0 399.535 4.112 20 0 GIADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2ccc(C3SCCS3)cc2)C1 ZINC000046991027 822536105 /nfs/dbraw/zinc/53/61/05/822536105.db2.gz BXQAYXNGOFRODI-MRXNPFEDSA-N 1 0 378.607 4.407 20 0 GIADRO CC(C)(C)OC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H](C3(C)OCCO3)C2)c1 ZINC000183854512 822536345 /nfs/dbraw/zinc/53/63/45/822536345.db2.gz SDOPVIWKXZJBRD-QGZVFWFLSA-N 1 0 376.497 4.009 20 0 GIADRO C[N@H+](CCCCNC(=O)Nc1cccc(CSC2CCOCC2)c1)C1CC1 ZINC000454804944 822537647 /nfs/dbraw/zinc/53/76/47/822537647.db2.gz MSOUNGSUYYVYIQ-UHFFFAOYSA-N 1 0 391.581 4.095 20 0 GIADRO CCOc1ccccc1[C@H](CC)[NH2+][C@@H](C)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000179736495 822538662 /nfs/dbraw/zinc/53/86/62/822538662.db2.gz PBKKEPAITURWDV-YJBOKZPZSA-N 1 0 386.492 4.170 20 0 GIADRO CCOc1ccccc1[C@H](CC)[NH2+][C@H](C)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000179736521 822538733 /nfs/dbraw/zinc/53/87/33/822538733.db2.gz PBKKEPAITURWDV-QAPCUYQASA-N 1 0 386.492 4.170 20 0 GIADRO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000179737045 822539022 /nfs/dbraw/zinc/53/90/22/822539022.db2.gz QOVRCWGQGWYHLP-INIZCTEOSA-N 1 0 385.483 4.234 20 0 GIADRO Cc1oc(-c2ccccc2)nc1CC(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000047037818 822539098 /nfs/dbraw/zinc/53/90/98/822539098.db2.gz CEIARHOMJREPPI-QZTJIDSGSA-N 1 0 383.536 4.067 20 0 GIADRO C[C@@H](c1ccc(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)cc1)C(F)(F)F ZINC000454817092 822539923 /nfs/dbraw/zinc/53/99/23/822539923.db2.gz SCMDFKHKAWQJPG-HNNXBMFYSA-N 1 0 391.437 4.142 20 0 GIADRO CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000179742583 822540849 /nfs/dbraw/zinc/54/08/49/822540849.db2.gz FOFPSHGKAKZNOT-LJQANCHMSA-N 1 0 397.519 4.007 20 0 GIADRO C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000179751751 822542700 /nfs/dbraw/zinc/54/27/00/822542700.db2.gz GGVSXHRRIDXGDJ-VGOFRKELSA-N 1 0 396.510 4.230 20 0 GIADRO Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000179752374 822542897 /nfs/dbraw/zinc/54/28/97/822542897.db2.gz METQHRVRLIKKOR-TZIWHRDSSA-N 1 0 392.547 4.194 20 0 GIADRO Cc1ccccc1C1CCN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000179752984 822543057 /nfs/dbraw/zinc/54/30/57/822543057.db2.gz LINOQDULPJKXQH-UHFFFAOYSA-N 1 0 392.547 4.196 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N1CCC[C@@H]1c1ccccc1Cl ZINC000179754094 822543618 /nfs/dbraw/zinc/54/36/18/822543618.db2.gz BPODBCRDLUURFC-OAQYLSRUSA-N 1 0 398.938 4.498 20 0 GIADRO O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000179756063 822543989 /nfs/dbraw/zinc/54/39/89/822543989.db2.gz QBTNSGWZOJDYGQ-IBGZPJMESA-N 1 0 399.362 4.188 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N(Cc1ccc(F)cc1)CC1CC1 ZINC000179760539 822545138 /nfs/dbraw/zinc/54/51/38/822545138.db2.gz JZNHCQXHAWAWGI-UHFFFAOYSA-N 1 0 396.510 4.059 20 0 GIADRO C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179760665 822545377 /nfs/dbraw/zinc/54/53/77/822545377.db2.gz RLVSSFMOMVLKOP-FXAWDEMLSA-N 1 0 396.510 4.025 20 0 GIADRO C[C@H]1CCc2c(F)cccc2[C@H]1Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000179760742 822545407 /nfs/dbraw/zinc/54/54/07/822545407.db2.gz MOOMFMKUNNKQHO-HJPURHCSSA-N 1 0 395.522 4.259 20 0 GIADRO CCc1cccc(CC)c1NC(=O)C[NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000179760957 822545582 /nfs/dbraw/zinc/54/55/82/822545582.db2.gz WWYUOWYXSCRLFF-INIZCTEOSA-N 1 0 393.531 4.449 20 0 GIADRO NC(=O)C1CC[NH+](Cc2cccc(N[C@@H]3CCSc4c(F)cccc43)c2)CC1 ZINC000179761965 822545847 /nfs/dbraw/zinc/54/58/47/822545847.db2.gz UIQNDGUYAFKJLY-HXUWFJFHSA-N 1 0 399.535 4.172 20 0 GIADRO CC[C@H](Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)c1cc(F)ccc1F ZINC000179763878 822546896 /nfs/dbraw/zinc/54/68/96/822546896.db2.gz VMKMEQZSVFJPRR-NRFANRHFSA-N 1 0 387.474 4.225 20 0 GIADRO C[C@H](Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)c1ccc(F)c(Cl)c1 ZINC000179765448 822547442 /nfs/dbraw/zinc/54/74/42/822547442.db2.gz UZYDGYHVKVUFSU-AWEZNQCLSA-N 1 0 389.902 4.350 20 0 GIADRO CCn1c(C[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)nc2cc(F)ccc21 ZINC000179766526 822547659 /nfs/dbraw/zinc/54/76/59/822547659.db2.gz UMXFQSLPBKTKDP-CQSZACIVSA-N 1 0 380.467 4.395 20 0 GIADRO CCC[C@H](Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)c1ccc(OC)cc1 ZINC000179767911 822548433 /nfs/dbraw/zinc/54/84/33/822548433.db2.gz ZZLQKEXTNDIMMY-QHCPKHFHSA-N 1 0 395.547 4.346 20 0 GIADRO Cc1ccc([C@H](C)NC(=O)C[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1C ZINC000179773229 822549767 /nfs/dbraw/zinc/54/97/67/822549767.db2.gz NBNSPDWDVHDKSQ-MSOLQXFVSA-N 1 0 393.531 4.180 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+](C)C[C@H](C)c1nccs1 ZINC000183946720 822551999 /nfs/dbraw/zinc/55/19/99/822551999.db2.gz CATIBUBRTINZDG-HNNXBMFYSA-N 1 0 397.548 4.010 20 0 GIADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)C1 ZINC000047187895 822552506 /nfs/dbraw/zinc/55/25/06/822552506.db2.gz YBUQEQSWSUFNQI-QGZVFWFLSA-N 1 0 389.540 4.276 20 0 GIADRO CCCCN(C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C)[C@H]1CCC[C@@H](C)C1 ZINC000454897063 822552635 /nfs/dbraw/zinc/55/26/35/822552635.db2.gz XPBDCBFKKHCGNS-APWZRJJASA-N 1 0 388.556 4.060 20 0 GIADRO C[C@H](NCC1(C[NH+](C)C)CCCC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000183953496 822553229 /nfs/dbraw/zinc/55/32/29/822553229.db2.gz PCZWSQRVGWZTFG-SFHVURJKSA-N 1 0 392.609 4.176 20 0 GIADRO CC[NH+]1CCC(n2nccc2NC(=O)C[C@H](C)Cc2ccc(Cl)cc2)CC1 ZINC000179789211 822553387 /nfs/dbraw/zinc/55/33/87/822553387.db2.gz DTWPXJJWAORFJM-MRXNPFEDSA-N 1 0 388.943 4.401 20 0 GIADRO COc1ccccc1C1(C[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)CCC1 ZINC000183956703 822553525 /nfs/dbraw/zinc/55/35/25/822553525.db2.gz JMVGRBVBYXHXSI-KRWDZBQOSA-N 1 0 380.488 4.424 20 0 GIADRO COc1ccccc1C1(C[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)CCC1 ZINC000183958479 822553853 /nfs/dbraw/zinc/55/38/53/822553853.db2.gz UAGZICLNKXSTTK-QGZVFWFLSA-N 1 0 380.488 4.424 20 0 GIADRO COc1cccc(C2CC[NH+](Cc3ccc(OCc4noc(C)n4)cc3)CC2)c1 ZINC000179801188 822555609 /nfs/dbraw/zinc/55/56/09/822555609.db2.gz KVSOMJXHACJFER-UHFFFAOYSA-N 1 0 393.487 4.345 20 0 GIADRO Cc1cc(NC(=O)NCC2(C[NH+](C)C)CCCC2)ccc1NC(=O)c1ccco1 ZINC000183972405 822556061 /nfs/dbraw/zinc/55/60/61/822556061.db2.gz FHBSXIDSQJBVHU-UHFFFAOYSA-N 1 0 398.507 4.084 20 0 GIADRO O=C(NCc1ccc(C(F)F)cc1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000183975286 822556598 /nfs/dbraw/zinc/55/65/98/822556598.db2.gz WYVCUIKBYCAGRX-UHFFFAOYSA-N 1 0 387.474 4.131 20 0 GIADRO C[C@H](O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC000183993859 822560088 /nfs/dbraw/zinc/56/00/88/822560088.db2.gz IJCVJFMRQVASKF-DVWBAYGPSA-N 1 0 388.552 4.398 20 0 GIADRO C[NH+](C)CCCC1CCN(C(=O)c2ccc(-n3cnc4ccccc43)cc2)CC1 ZINC000179831261 822562041 /nfs/dbraw/zinc/56/20/41/822562041.db2.gz DMASDFWIUSMRPK-UHFFFAOYSA-N 1 0 390.531 4.220 20 0 GIADRO CCC[C@@H]1CN(C(=O)Nc2c(C)nn(CC)c2C)CC[N@@H+]1Cc1ccccc1 ZINC000179831175 822562054 /nfs/dbraw/zinc/56/20/54/822562054.db2.gz NEVDBKXNEXFTPP-HXUWFJFHSA-N 1 0 383.540 4.038 20 0 GIADRO Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000047287097 822562208 /nfs/dbraw/zinc/56/22/08/822562208.db2.gz LBMYDVMSGQIKPD-LSDHHAIUSA-N 1 0 394.302 4.313 20 0 GIADRO C[NH+](C)CC1(CNC(=O)Nc2ccc(NC(=O)OC(C)(C)C)cc2)CCCC1 ZINC000184004658 822562263 /nfs/dbraw/zinc/56/22/63/822562263.db2.gz POQBAXPHMHXGII-UHFFFAOYSA-N 1 0 390.528 4.277 20 0 GIADRO CC[NH+](CC)CCOc1cc(NC(=O)N2CCC[C@@H](C)[C@H]2C)ccc1OC ZINC000179831975 822562294 /nfs/dbraw/zinc/56/22/94/822562294.db2.gz AIKJNBORBOHSHB-IAGOWNOFSA-N 1 0 377.529 4.068 20 0 GIADRO CN(Cc1nc2ccccc2s1)C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000047303422 822563378 /nfs/dbraw/zinc/56/33/78/822563378.db2.gz NTYLWVURDNRPJI-UHFFFAOYSA-N 1 0 379.529 4.167 20 0 GIADRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)c2scnc2Cl)cc1 ZINC000047304943 822563824 /nfs/dbraw/zinc/56/38/24/822563824.db2.gz CBLCMYFMZYMEMQ-UHFFFAOYSA-N 1 0 385.920 4.455 20 0 GIADRO C[C@@H](OCCCNC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000047304927 822563835 /nfs/dbraw/zinc/56/38/35/822563835.db2.gz FZFJZWWSTNRJLK-HXUWFJFHSA-N 1 0 380.532 4.183 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)Cc2cccc(NC(=O)OC(C)(C)C)c2)c1 ZINC000179838793 822563958 /nfs/dbraw/zinc/56/39/58/822563958.db2.gz MNUCEDQWBWTRKH-UHFFFAOYSA-N 1 0 383.492 4.276 20 0 GIADRO C[C@@H](CC(=O)NCC1([NH+]2CCCCC2)CCOCC1)Cc1ccc(Cl)cc1 ZINC000179840475 822564071 /nfs/dbraw/zinc/56/40/71/822564071.db2.gz QPHXYUIVWRASBE-GOSISDBHSA-N 1 0 392.971 4.060 20 0 GIADRO CSC1(CNC(=O)N[C@H]2CC[C@H](c3cccc(Cl)c3)C2)CC[NH+](C)CC1 ZINC000454981297 822565893 /nfs/dbraw/zinc/56/58/93/822565893.db2.gz XHUXQUZEOYYPRR-WMZOPIPTSA-N 1 0 396.000 4.103 20 0 GIADRO CC1(C)CN(C(=O)NCCCCF)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000454982106 822565896 /nfs/dbraw/zinc/56/58/96/822565896.db2.gz NNPBINNHBNJNMR-FQEVSTJZSA-N 1 0 375.532 4.068 20 0 GIADRO O=C(Nc1cccc(Cl)c1Cl)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000047335454 822567897 /nfs/dbraw/zinc/56/78/97/822567897.db2.gz QJQHFQOMKDIKDX-UHFFFAOYSA-N 1 0 379.291 4.175 20 0 GIADRO COc1ccc([C@H](C)C[NH+]2CCC(C(=O)N3CCc4ccccc43)CC2)cc1 ZINC000179873140 822569402 /nfs/dbraw/zinc/56/94/02/822569402.db2.gz BJDBHERJPASHEI-GOSISDBHSA-N 1 0 378.516 4.100 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)c1cc(=O)[nH]c(C2CC2)c1)C1CCCCC1 ZINC000184041625 822569471 /nfs/dbraw/zinc/56/94/71/822569471.db2.gz ZBGCOEJIHJPGAD-UHFFFAOYSA-N 1 0 379.504 4.269 20 0 GIADRO Cc1cc(C)c(NC(=O)NCCCCC[NH+]2CCCC2)c(Br)c1 ZINC000455010543 822570147 /nfs/dbraw/zinc/57/01/47/822570147.db2.gz ZIRMHFVDCKLXFQ-UHFFFAOYSA-N 1 0 382.346 4.454 20 0 GIADRO COCCCOc1cccc(C[NH+]2CCC(C(=O)c3ccc(OC)cc3)CC2)c1 ZINC000179881926 822570994 /nfs/dbraw/zinc/57/09/94/822570994.db2.gz JZPSEUQHRIENNC-UHFFFAOYSA-N 1 0 397.515 4.205 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N(C)[C@H](C)c1ccccc1F ZINC000047366946 822571144 /nfs/dbraw/zinc/57/11/44/822571144.db2.gz DNDXIRPWBQJCHW-QGZVFWFLSA-N 1 0 384.499 4.111 20 0 GIADRO COc1cccc(COc2cccc(NC(=O)NC(C)(C)C[NH+](C)C)c2C)c1 ZINC000455018983 822572165 /nfs/dbraw/zinc/57/21/65/822572165.db2.gz FYCLTQHYNSUXLU-UHFFFAOYSA-N 1 0 385.508 4.044 20 0 GIADRO CN(c1ccc(NC(=O)CCc2ccc3[nH]ccc3c2)cc1)C1CC[NH+](C)CC1 ZINC000179897439 822573163 /nfs/dbraw/zinc/57/31/63/822573163.db2.gz HLTBWHKFFDTRGS-UHFFFAOYSA-N 1 0 390.531 4.270 20 0 GIADRO CCC(CC)n1nc(C)cc1C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000179897392 822573170 /nfs/dbraw/zinc/57/31/70/822573170.db2.gz FRUYSQBNAVAWRZ-UHFFFAOYSA-N 1 0 397.567 4.335 20 0 GIADRO C[C@@H](c1ccccc1Cl)N(C)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000047393039 822574095 /nfs/dbraw/zinc/57/40/95/822574095.db2.gz GCDSNMHZPPCHLQ-INIZCTEOSA-N 1 0 386.927 4.317 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3ncccc3C(F)(F)F)cc2)C1 ZINC000179905149 822574361 /nfs/dbraw/zinc/57/43/61/822574361.db2.gz XYRSIDOXQRVSNH-HNNXBMFYSA-N 1 0 391.437 4.262 20 0 GIADRO O=C(Nc1ccc(NC(=O)N2CCC([NH+]3CCCCC3)CC2)cc1)c1ccco1 ZINC000047399207 822575356 /nfs/dbraw/zinc/57/53/56/822575356.db2.gz WODRDZIUUVHAKP-UHFFFAOYSA-N 1 0 396.491 4.014 20 0 GIADRO Cc1nn(C)cc1[C@H](C)[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000184083740 822575432 /nfs/dbraw/zinc/57/54/32/822575432.db2.gz LSKKJXJDOQNKHL-ZDUSSCGKSA-N 1 0 381.351 4.351 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)c2ccc(-n3cc(C)cn3)cc2)CC1 ZINC000184087732 822576055 /nfs/dbraw/zinc/57/60/55/822576055.db2.gz QLOLWNVOWTUITI-UHFFFAOYSA-N 1 0 382.552 4.155 20 0 GIADRO Cc1ccc(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(C)c3O)CC2)s1 ZINC000179919000 822577043 /nfs/dbraw/zinc/57/70/43/822577043.db2.gz FMJQJXBCNQSOEB-UHFFFAOYSA-N 1 0 378.925 4.118 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)c2cnc(-c3ccccn3)s2)CC1 ZINC000184095560 822577174 /nfs/dbraw/zinc/57/71/74/822577174.db2.gz UNOUFWKSESJHRD-UHFFFAOYSA-N 1 0 386.565 4.179 20 0 GIADRO CC[NH+](CC)CCOc1cc(NC(=O)c2csc(C)c2C)ccc1OC ZINC000179919554 822577250 /nfs/dbraw/zinc/57/72/50/822577250.db2.gz WCLFUFMVYAFNIW-UHFFFAOYSA-N 1 0 376.522 4.346 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)c2cccc(Oc3cnccn3)c2)CC1 ZINC000184098334 822577903 /nfs/dbraw/zinc/57/79/03/822577903.db2.gz QWWRBCXLZIYNOH-UHFFFAOYSA-N 1 0 396.535 4.243 20 0 GIADRO Cc1nc(COc2cccc(C(=O)Nc3cccc(C[NH+](C)C)c3)c2)cs1 ZINC000047453720 822580952 /nfs/dbraw/zinc/58/09/52/822580952.db2.gz SFGBSANKEWCDOH-UHFFFAOYSA-N 1 0 381.501 4.344 20 0 GIADRO CC(C)c1c(C(=O)Nc2cccc(C[NH+](C)C)c2)cnn1-c1ccc(F)cc1 ZINC000047454181 822581219 /nfs/dbraw/zinc/58/12/19/822581219.db2.gz VUVADAZGAODQMH-UHFFFAOYSA-N 1 0 380.467 4.449 20 0 GIADRO C[C@H](Nc1ccc(N2CCOC[C@H]2C)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000179941412 822581624 /nfs/dbraw/zinc/58/16/24/822581624.db2.gz VZMZCVYYPUCYHZ-MOPGFXCFSA-N 1 0 383.536 4.025 20 0 GIADRO CCC(CC)(C(=O)NCc1ccccc1C[NH+](C)C)c1ccc(OC)c(OC)c1 ZINC000184121116 822581700 /nfs/dbraw/zinc/58/17/00/822581700.db2.gz QCFFKUMUVWAJDR-UHFFFAOYSA-N 1 0 398.547 4.140 20 0 GIADRO O=C(Nc1ccc2c(c1)COC2)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000455056532 822582003 /nfs/dbraw/zinc/58/20/03/822582003.db2.gz WVUPLVAOFKPNFB-UHFFFAOYSA-N 1 0 391.515 4.237 20 0 GIADRO C[C@H](F)CCNC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000455060632 822582570 /nfs/dbraw/zinc/58/25/70/822582570.db2.gz SXIPHESEDQNWIA-QRTARXTBSA-N 1 0 389.437 4.136 20 0 GIADRO CC(C)[C@@H](C)NC(=O)C1CC[NH+](Cc2c(Cl)cccc2N2CCCC2)CC1 ZINC000179945072 822582665 /nfs/dbraw/zinc/58/26/65/822582665.db2.gz ZKVBOZMAWPIERV-QGZVFWFLSA-N 1 0 391.987 4.313 20 0 GIADRO CCS(=O)(=O)c1ccc(C[NH2+][C@H]2CCCOc3c(C)cc(Cl)cc32)cc1 ZINC000179944874 822582669 /nfs/dbraw/zinc/58/26/69/822582669.db2.gz ZJPXATQWXGPXCY-IBGZPJMESA-N 1 0 393.936 4.446 20 0 GIADRO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(OCC(C)C)cc2)cc1 ZINC000179947427 822583300 /nfs/dbraw/zinc/58/33/00/822583300.db2.gz COVAWXJGQSYKBY-KRWDZBQOSA-N 1 0 375.534 4.366 20 0 GIADRO CCS(=O)(=O)c1ccc(C[NH2+][C@H]2CCCOc3c(Cl)cccc32)cc1 ZINC000179948327 822583475 /nfs/dbraw/zinc/58/34/75/822583475.db2.gz WSLGVOBOGKIDRQ-SFHVURJKSA-N 1 0 379.909 4.137 20 0 GIADRO Cc1nn(C)c(C)c1C[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000184151721 822586356 /nfs/dbraw/zinc/58/63/56/822586356.db2.gz MHVLHQIARWZOEH-UHFFFAOYSA-N 1 0 381.351 4.098 20 0 GIADRO Cn1cc(C[NH+]2CCC(C(F)(F)F)CC2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000179962559 822586475 /nfs/dbraw/zinc/58/64/75/822586475.db2.gz PMYVDUTTWZTXAC-UHFFFAOYSA-N 1 0 395.425 4.023 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2ccc3c(c2)NC(=O)CS3)cc1 ZINC000047522216 822586671 /nfs/dbraw/zinc/58/66/71/822586671.db2.gz AXVSKDWNHJNGII-HNNXBMFYSA-N 1 0 395.528 4.358 20 0 GIADRO CN(C(=O)c1cccc(NC(=O)CC2(C[NH3+])CCCCC2)c1)c1ccccc1 ZINC000184153362 822586817 /nfs/dbraw/zinc/58/68/17/822586817.db2.gz SMYZGOQYURGNSH-UHFFFAOYSA-N 1 0 379.504 4.201 20 0 GIADRO CC(C)[N@H+](Cc1ccc(NC(=O)NCC[C@@H](C)F)cc1)C[C@@H]1CCCCO1 ZINC000455082968 822587016 /nfs/dbraw/zinc/58/70/16/822587016.db2.gz ZEWYQBGTGMJZBJ-XLIONFOSSA-N 1 0 379.520 4.336 20 0 GIADRO C[C@H](CCCO)[NH2+][C@@H](c1ccc(F)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000184161276 822588246 /nfs/dbraw/zinc/58/82/46/822588246.db2.gz ZWJYJYCWQBSLRB-UZLBHIALSA-N 1 0 394.531 4.265 20 0 GIADRO Cc1nc2c(s1)[C@@H]([NH2+][C@H]1CCN(c3ccc(F)c(Cl)c3)C1=O)CCC2 ZINC000179975238 822588664 /nfs/dbraw/zinc/58/86/64/822588664.db2.gz XQKKXAWZIIHKFR-HOTGVXAUSA-N 1 0 379.888 4.017 20 0 GIADRO C[C@H](C[N@H+](C)Cc1ccc([S@](C)=O)cc1)c1cccc(Br)c1 ZINC000179979008 822589491 /nfs/dbraw/zinc/58/94/91/822589491.db2.gz ILBZWWJVVZHYDZ-PEBXRYMYSA-N 1 0 380.351 4.422 20 0 GIADRO CC(C)c1nn(C)c(Cl)c1C[NH2+]CCCc1nc(-c2ccc(F)cc2)no1 ZINC000184168095 822589666 /nfs/dbraw/zinc/58/96/66/822589666.db2.gz FPIZPEUKCMUVGU-UHFFFAOYSA-N 1 0 391.878 4.108 20 0 GIADRO C[C@@H](NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccc(F)cc1Cl ZINC000455107018 822589851 /nfs/dbraw/zinc/58/98/51/822589851.db2.gz FEHBIHPEDKMBBH-TYILLQQXSA-N 1 0 379.907 4.198 20 0 GIADRO CC(C)c1cccc(-c2ccc(C(=O)NC(C)(C)CC[NH+]3CCN(C)CC3)o2)c1 ZINC000184172139 822590523 /nfs/dbraw/zinc/59/05/23/822590523.db2.gz FIGNYOXFYQFOOC-UHFFFAOYSA-N 1 0 397.563 4.216 20 0 GIADRO COc1cc(NC(=O)NCCCCC[NH+]2CCCC2)cc(OC)c1C(C)C ZINC000455114877 822590911 /nfs/dbraw/zinc/59/09/11/822590911.db2.gz UYENLKLSNCSOKB-UHFFFAOYSA-N 1 0 377.529 4.215 20 0 GIADRO CCN(C(=O)CCCc1nc2ccccc2[nH]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000184177068 822591208 /nfs/dbraw/zinc/59/12/08/822591208.db2.gz YDLNRFHHKOPPKL-FQEVSTJZSA-N 1 0 390.531 4.009 20 0 GIADRO Cc1ccc(NC(=S)NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c(C)c1 ZINC000047567402 822591408 /nfs/dbraw/zinc/59/14/08/822591408.db2.gz UHYSPULTCTZFLV-RTBURBONSA-N 1 0 397.588 4.399 20 0 GIADRO C[C@@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1ccc(Cl)c(Cl)c1Cl ZINC000179988365 822591542 /nfs/dbraw/zinc/59/15/42/822591542.db2.gz KOFNHYLGCMIGAZ-MNOVXSKESA-N 1 0 380.699 4.220 20 0 GIADRO CC(C)COC[C@H]([NH2+]C[C@@H](O)c1ccccc1Br)c1ccco1 ZINC000184189067 822593151 /nfs/dbraw/zinc/59/31/51/822593151.db2.gz GYXJYIWFUZWLBR-DLBZAZTESA-N 1 0 382.298 4.079 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CSc2ccccc21 ZINC000455128485 822593498 /nfs/dbraw/zinc/59/34/98/822593498.db2.gz UFQWIHOHEOCGQD-UXHICEINSA-N 1 0 395.572 4.039 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]C[C@@H]1COC2(CCC(C)CC2)O1 ZINC000180002814 822593516 /nfs/dbraw/zinc/59/35/16/822593516.db2.gz VFXRROFLYMMSFI-LVURXURCSA-N 1 0 387.549 4.486 20 0 GIADRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]CC(=O)Nc3ccccc3C(C)C)ccc2NC1=O ZINC000180009850 822595572 /nfs/dbraw/zinc/59/55/72/822595572.db2.gz ULGLEXJSFNQTIU-QRWLVFNGSA-N 1 0 395.503 4.209 20 0 GIADRO C[NH+]1CCC(N[C@H](c2ccc(Br)cc2)c2ccccc2F)CC1 ZINC000180013394 822596541 /nfs/dbraw/zinc/59/65/41/822596541.db2.gz WMDYHFNZWPBQTO-LJQANCHMSA-N 1 0 377.301 4.361 20 0 GIADRO CCOc1ccc(C(C)=O)cc1C[NH2+][C@H](C)c1ccc2c(c1)O[C@@H](CC)C(=O)N2 ZINC000180015131 822596810 /nfs/dbraw/zinc/59/68/10/822596810.db2.gz POFHTFVYFDESJL-VLIAUNLRSA-N 1 0 396.487 4.248 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]2C[C@@H]2C)c1 ZINC000180017293 822597497 /nfs/dbraw/zinc/59/74/97/822597497.db2.gz XTPYRSHMWPEDKO-KPFBPEDLSA-N 1 0 388.895 4.283 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccc(-c2cnco2)cc1 ZINC000047623422 822597783 /nfs/dbraw/zinc/59/77/83/822597783.db2.gz NIIYQLFWHYMTRU-UHFFFAOYSA-N 1 0 395.890 4.389 20 0 GIADRO CC(C)C[NH+]1CCC(NC(=O)CCc2ncc(-c3ccccc3Cl)o2)CC1 ZINC000047634532 822598154 /nfs/dbraw/zinc/59/81/54/822598154.db2.gz DRZAEBXHJLOKOE-UHFFFAOYSA-N 1 0 389.927 4.164 20 0 GIADRO COc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccccc2)cc1OC(C)C ZINC000184223566 822598795 /nfs/dbraw/zinc/59/87/95/822598795.db2.gz UWDHPMQXTVYZAB-UHFFFAOYSA-N 1 0 385.508 4.078 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)C[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]2C[C@H]2C)cc1 ZINC000180024032 822599227 /nfs/dbraw/zinc/59/92/27/822599227.db2.gz BNPUDCJSLLWAQH-WHIIXXIBSA-N 1 0 385.895 4.224 20 0 GIADRO CC(=O)c1cccc(NC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000180024672 822599419 /nfs/dbraw/zinc/59/94/19/822599419.db2.gz SFILXQXJOUNRPX-UHFFFAOYSA-N 1 0 380.492 4.055 20 0 GIADRO CC(C)[N@@H+](CCc1nccs1)CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000180025385 822599572 /nfs/dbraw/zinc/59/95/72/822599572.db2.gz NYKYPRCRKOODKI-UHFFFAOYSA-N 1 0 381.586 4.433 20 0 GIADRO C[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+](Cc2cn(C)nc2-c2ccccc2)CC1 ZINC000180026289 822599647 /nfs/dbraw/zinc/59/96/47/822599647.db2.gz HXCXVHZUYWVXPE-QGZVFWFLSA-N 1 0 398.551 4.212 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000180028369 822600405 /nfs/dbraw/zinc/60/04/05/822600405.db2.gz YXUXOPFZPYLQMW-MOPGFXCFSA-N 1 0 391.874 4.192 20 0 GIADRO C[C@@H]1C[C@@H]1[C@H]([NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1)c1ccc(Cl)cc1 ZINC000180031566 822601071 /nfs/dbraw/zinc/60/10/71/822601071.db2.gz MSUZWGRYHAQZGT-GIJMVEMTSA-N 1 0 388.298 4.488 20 0 GIADRO COC(=O)Nc1cccc(NC(=O)NCC2([NH+]3CCCCC3)CCCCC2)c1 ZINC000047710975 822601787 /nfs/dbraw/zinc/60/17/87/822601787.db2.gz MBGYMGVEXPMVEX-UHFFFAOYSA-N 1 0 388.512 4.175 20 0 GIADRO CC[C@H](C)Sc1ccc(NC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)c(C)c1 ZINC000184248366 822602686 /nfs/dbraw/zinc/60/26/86/822602686.db2.gz FVXFRKZSBGCQMR-ROUUACIJSA-N 1 0 392.613 4.033 20 0 GIADRO Cn1cc([C@@H](NCc2cccc(C[NH+]3CCCC3)c2)c2cccc(F)c2)cn1 ZINC000180041471 822602802 /nfs/dbraw/zinc/60/28/02/822602802.db2.gz JMTMOTSJKNMTKD-QHCPKHFHSA-N 1 0 378.495 4.034 20 0 GIADRO CCCC(=O)Nc1cccc(NC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000047716396 822603528 /nfs/dbraw/zinc/60/35/28/822603528.db2.gz VQTHHRSNPSAFDW-HDICACEKSA-N 1 0 388.556 4.305 20 0 GIADRO COc1ccc([C@H](O)C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180048088 822603862 /nfs/dbraw/zinc/60/38/62/822603862.db2.gz SHCNGUAVXKKUCH-YADHBBJMSA-N 1 0 378.428 4.016 20 0 GIADRO CCOc1ccc(C2(C[NH2+][C@H](C)c3nc4ccccc4n3C)CCOCC2)cc1 ZINC000180048328 822604212 /nfs/dbraw/zinc/60/42/12/822604212.db2.gz HDSQJHHZBMDACE-GOSISDBHSA-N 1 0 393.531 4.371 20 0 GIADRO C[C@H](CNC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1nccs1 ZINC000184258082 822604402 /nfs/dbraw/zinc/60/44/02/822604402.db2.gz SWUBISIOBOAVKU-PBHICJAKSA-N 1 0 392.956 4.036 20 0 GIADRO Cc1ccc([C@H]([NH2+]Cc2ccc(CS(=O)(=O)NC(C)C)cc2)C2CC2)cc1 ZINC000180050375 822604599 /nfs/dbraw/zinc/60/45/99/822604599.db2.gz QHRNJKNBLMUQJS-QFIPXVFZSA-N 1 0 386.561 4.064 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)Nc1cc(Cl)ccc1Cl ZINC000180050541 822604663 /nfs/dbraw/zinc/60/46/63/822604663.db2.gz SGMRWTQLQWKFTQ-UHFFFAOYSA-N 1 0 379.291 4.427 20 0 GIADRO Cc1cc(SC(C)(C)C)ccc1NC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000184261950 822605142 /nfs/dbraw/zinc/60/51/42/822605142.db2.gz SXIGJRTZHCDAOZ-KRWDZBQOSA-N 1 0 392.613 4.033 20 0 GIADRO C[C@H](C[S@](C)=O)[NH2+]Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 ZINC000184269890 822606263 /nfs/dbraw/zinc/60/62/63/822606263.db2.gz OJTAFVZVNRGUMC-HJWYETAXSA-N 1 0 393.512 4.142 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1ccc2c(c1)nc(C1CC1)n2C ZINC000180060950 822606489 /nfs/dbraw/zinc/60/64/89/822606489.db2.gz IBVMSTAMIWEODM-JXFKEZNVSA-N 1 0 375.520 4.168 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)c1ncccc1C(F)(F)F ZINC000180065332 822607719 /nfs/dbraw/zinc/60/77/19/822607719.db2.gz PWQVNHTWKXNBSC-UHFFFAOYSA-N 1 0 391.437 4.406 20 0 GIADRO COc1cc(C[NH2+]Cc2cccc(OCc3ccccc3)c2)cc2c1OCO2 ZINC000047770571 822608307 /nfs/dbraw/zinc/60/83/07/822608307.db2.gz ZJJRJZXVECNQAZ-UHFFFAOYSA-N 1 0 377.440 4.293 20 0 GIADRO C[N@@H+]1CC[C@]2(CCN(C(=O)Nc3cc(Cl)ccc3OC3CCCC3)C2)C1 ZINC000455207650 822608777 /nfs/dbraw/zinc/60/87/77/822608777.db2.gz QWUJEOLAAXJLMG-FQEVSTJZSA-N 1 0 377.916 4.221 20 0 GIADRO Cc1cc([C@@H](C)[NH2+]C2CCN(C(=O)c3ccoc3)CC2)ccc1Br ZINC000180072160 822609735 /nfs/dbraw/zinc/60/97/35/822609735.db2.gz DSGCMSMPEGVMBC-CQSZACIVSA-N 1 0 391.309 4.306 20 0 GIADRO COc1ccccc1NC(=O)C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000180073998 822609994 /nfs/dbraw/zinc/60/99/94/822609994.db2.gz OPWKQCLLTOVYLX-LJQANCHMSA-N 1 0 378.394 4.393 20 0 GIADRO CS(=O)(=O)Cc1cccc(C[NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)c1 ZINC000180076341 822610597 /nfs/dbraw/zinc/61/05/97/822610597.db2.gz VGCHDKYSASLGKR-OAQYLSRUSA-N 1 0 375.509 4.391 20 0 GIADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)N[C@H](c3ccc(Cl)cc3)C(F)(F)F)C2)C1 ZINC000455219778 822611066 /nfs/dbraw/zinc/61/10/66/822611066.db2.gz ZHZJQCYQTFDJAG-NVXWUHKLSA-N 1 0 389.849 4.071 20 0 GIADRO C[C@@H](C[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1)c1c(Cl)cccc1Cl ZINC000180082362 822611727 /nfs/dbraw/zinc/61/17/27/822611727.db2.gz NONLEONQRGQQKK-NWDGAFQWSA-N 1 0 387.332 4.095 20 0 GIADRO CCSc1ccc([C@@H](C)[NH2+]CCCS(=O)(=O)c2ccccc2OC)cc1 ZINC000184307338 822611917 /nfs/dbraw/zinc/61/19/17/822611917.db2.gz KZSURZBXWRRFCP-MRXNPFEDSA-N 1 0 393.574 4.322 20 0 GIADRO COc1cc(C[NH2+]Cc2ccc(C)nc2)cc(OC)c1OCc1ccccc1 ZINC000047825897 822612788 /nfs/dbraw/zinc/61/27/88/822612788.db2.gz OOCFYASUPRZZCN-UHFFFAOYSA-N 1 0 378.472 4.276 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(F)c(Br)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000047827482 822612944 /nfs/dbraw/zinc/61/29/44/822612944.db2.gz DKBXKNIDDADTGN-LLVKDONJSA-N 1 0 377.257 4.324 20 0 GIADRO COC(=O)c1ccc(C[NH2+]Cc2cccc(NC(=O)c3ccc(F)cc3)c2)cc1 ZINC000180090094 822613242 /nfs/dbraw/zinc/61/32/42/822613242.db2.gz BEHRBIFUOWJKNN-UHFFFAOYSA-N 1 0 392.430 4.154 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)NCc1ccnc(Oc2ccccc2)c1)c1cccs1 ZINC000047832069 822613297 /nfs/dbraw/zinc/61/32/97/822613297.db2.gz ALRVRHOKRBLDHN-GOSISDBHSA-N 1 0 396.516 4.038 20 0 GIADRO COCCc1ccc(Oc2ccc(NC(=O)N(C)CC[N@H+](C)C3CC3)cc2)cc1 ZINC000184320350 822614257 /nfs/dbraw/zinc/61/42/57/822614257.db2.gz GGPUTQQYWKWMQB-UHFFFAOYSA-N 1 0 397.519 4.226 20 0 GIADRO COc1ccc2oc([C@H](C)[NH2+]CC(=O)Nc3ccc(OC)cc3OC)c(C)c2c1 ZINC000184320651 822614456 /nfs/dbraw/zinc/61/44/56/822614456.db2.gz KMTPHVDCAQLKHB-AWEZNQCLSA-N 1 0 398.459 4.056 20 0 GIADRO C[N@@H+]1CC[C@]2(CCN(C(=O)N[C@H](c3cccc4ccccc43)C(F)(F)F)C2)C1 ZINC000455240843 822615572 /nfs/dbraw/zinc/61/55/72/822615572.db2.gz RTGPPPXIMAGPHM-QUCCMNQESA-N 1 0 391.437 4.180 20 0 GIADRO COc1ccc2oc([C@@H](C)[NH2+]CC(=O)N[C@H]3CCOc4ccccc43)c(C)c2c1 ZINC000184326510 822615715 /nfs/dbraw/zinc/61/57/15/822615715.db2.gz KVSNCRQMHRTHLI-BEFAXECRSA-N 1 0 394.471 4.040 20 0 GIADRO COc1ccc2oc([C@@H](C)[NH2+]CC(=O)N(C)Cc3ccccc3OC)c(C)c2c1 ZINC000184329258 822616126 /nfs/dbraw/zinc/61/61/26/822616126.db2.gz WDHXEPBUIXGCRC-MRXNPFEDSA-N 1 0 396.487 4.068 20 0 GIADRO CCOc1ccc([C@H](NC(=O)NC2CC[NH+](C(C)C)CC2)c2ccccc2)cc1 ZINC000047885860 822616489 /nfs/dbraw/zinc/61/64/89/822616489.db2.gz WXILHGVKKQHNMP-HSZRJFAPSA-N 1 0 395.547 4.347 20 0 GIADRO CC(C)Cc1ccc([C@@H](NC(=O)NC2CC[NH+](C)CC2)c2cccs2)cc1 ZINC000047885985 822616528 /nfs/dbraw/zinc/61/65/28/822616528.db2.gz HVIJHGGHUUHKBQ-OAQYLSRUSA-N 1 0 385.577 4.429 20 0 GIADRO CCOc1ccc([C@@H](NC(=O)NC2CC[NH+](C(C)C)CC2)c2ccccc2)cc1 ZINC000047885862 822616545 /nfs/dbraw/zinc/61/65/45/822616545.db2.gz WXILHGVKKQHNMP-QHCPKHFHSA-N 1 0 395.547 4.347 20 0 GIADRO Cc1cccc([C@@H](C[NH2+][C@H](c2ccccc2)c2ccccn2)N2CCOCC2)c1 ZINC000180106983 822616544 /nfs/dbraw/zinc/61/65/44/822616544.db2.gz NNLLWKKAYCCIEP-JWQCQUIFSA-N 1 0 387.527 4.143 20 0 GIADRO Cc1cccc([C@@H](C[NH2+][C@@H](c2ccccc2)c2ccccn2)N2CCOCC2)c1 ZINC000180106946 822616645 /nfs/dbraw/zinc/61/66/45/822616645.db2.gz NNLLWKKAYCCIEP-RPBOFIJWSA-N 1 0 387.527 4.143 20 0 GIADRO CC1CC[NH+](Cc2cccc(CNC(=O)c3ncccc3C(F)(F)F)c2)CC1 ZINC000180110081 822617213 /nfs/dbraw/zinc/61/72/13/822617213.db2.gz BRFWGNDQVRWQCM-UHFFFAOYSA-N 1 0 391.437 4.262 20 0 GIADRO COc1ccc2oc([C@H](C)[NH2+]CC(=O)N(C)Cc3cccc(OC)c3)c(C)c2c1 ZINC000184340158 822618486 /nfs/dbraw/zinc/61/84/86/822618486.db2.gz FQWATMKEEOFPKJ-INIZCTEOSA-N 1 0 396.487 4.068 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)NCc1ccc(Cl)s1)[NH+]1CCCC1 ZINC000047914927 822619129 /nfs/dbraw/zinc/61/91/29/822619129.db2.gz BUIORSMXOQIDLE-MRXNPFEDSA-N 1 0 393.940 4.046 20 0 GIADRO COc1ccc([C@H](CNC(=O)Nc2cccc(N(C)C)c2C)[NH+]2CCCC2)cc1 ZINC000180126286 822620754 /nfs/dbraw/zinc/62/07/54/822620754.db2.gz XBHRCNVABCVPAQ-QFIPXVFZSA-N 1 0 396.535 4.028 20 0 GIADRO COc1cc(C(C)=O)ccc1OC[C@H](O)C[NH2+][C@@H](C)c1cc2ccccc2s1 ZINC000184356843 822621253 /nfs/dbraw/zinc/62/12/53/822621253.db2.gz AANGQZLGKOKHBM-KBXCAEBGSA-N 1 0 399.512 4.203 20 0 GIADRO CNC(=O)c1cccc(CC[NH2+][C@@H](c2ccc(Br)cc2)C2CC2)c1 ZINC000180128160 822621459 /nfs/dbraw/zinc/62/14/59/822621459.db2.gz BLLRTQDGQHQEDC-LJQANCHMSA-N 1 0 387.321 4.092 20 0 GIADRO CCOC(=O)Nc1ccc(NC(=O)NC[C@H](c2ccccc2)[NH+](CC)CC)cc1 ZINC000047946162 822621546 /nfs/dbraw/zinc/62/15/46/822621546.db2.gz JFBNIKJUOKZVLP-HXUWFJFHSA-N 1 0 398.507 4.460 20 0 GIADRO CC(C)C[C@H]([NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000180132179 822622337 /nfs/dbraw/zinc/62/23/37/822622337.db2.gz MLNZRBSVDFXUIQ-LIRRHRJNSA-N 1 0 380.941 4.425 20 0 GIADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000180132731 822622541 /nfs/dbraw/zinc/62/25/41/822622541.db2.gz QKJLFMFLZKEWAE-CYBMUJFWSA-N 1 0 375.847 4.280 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(C)n(-c3ccccc3Cl)n2)[C@H](C)C1 ZINC000180132535 822622555 /nfs/dbraw/zinc/62/25/55/822622555.db2.gz WEYJZHKHIKNHFR-PBHICJAKSA-N 1 0 389.931 4.028 20 0 GIADRO FC(F)(F)c1ccc(-c2noc(CN3CCC(C[NH+]4CCCC4)CC3)n2)cc1 ZINC000047969927 822623225 /nfs/dbraw/zinc/62/32/25/822623225.db2.gz CHDVLMHDDFLTJL-UHFFFAOYSA-N 1 0 394.441 4.063 20 0 GIADRO CCCCn1ncc(NC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)c1C(C)C ZINC000455273481 822623901 /nfs/dbraw/zinc/62/39/01/822623901.db2.gz JAKHKJUTPXGZHU-KRWDZBQOSA-N 1 0 375.561 4.145 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2nc(-c3ccccc3Cl)ns2)C1 ZINC000184375815 822624371 /nfs/dbraw/zinc/62/43/71/822624371.db2.gz PQOTYFRZFFDDDS-CYBMUJFWSA-N 1 0 393.944 4.054 20 0 GIADRO CC[C@H]1Oc2cc([C@@H](C)[NH2+][C@@H](C)c3nc4ccccc4n3C)ccc2NC1=O ZINC000180139422 822624620 /nfs/dbraw/zinc/62/46/20/822624620.db2.gz CLZHEUXBNNBBDV-BIENJYKASA-N 1 0 378.476 4.095 20 0 GIADRO CC[C@H](C)n1ncc(NC(=O)NC[C@H](c2ccc(SC)cc2)[NH+](C)C)c1C ZINC000455275952 822624667 /nfs/dbraw/zinc/62/46/67/822624667.db2.gz YBKMYYRICKJIOR-IFXJQAMLSA-N 1 0 389.569 4.309 20 0 GIADRO CC[C@H](C)n1ncc(NC(=O)NC[C@@H](c2ccc(SC)cc2)[NH+](C)C)c1C ZINC000455275957 822624677 /nfs/dbraw/zinc/62/46/77/822624677.db2.gz YBKMYYRICKJIOR-LIRRHRJNSA-N 1 0 389.569 4.309 20 0 GIADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Nc1nc(-c2ccccc2Cl)ns1 ZINC000184380039 822625196 /nfs/dbraw/zinc/62/51/96/822625196.db2.gz CSEGUTGUAXWROX-CYBMUJFWSA-N 1 0 393.944 4.197 20 0 GIADRO O=C(Nc1ccc(Cl)c(OC(F)F)c1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000180145068 822625958 /nfs/dbraw/zinc/62/59/58/822625958.db2.gz CVGQBNFXQYWAHC-WBMJQRKESA-N 1 0 399.869 4.422 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)Nc1c(F)cccc1F)[NH+]1CCCCC1 ZINC000048052041 822627267 /nfs/dbraw/zinc/62/72/67/822627267.db2.gz QDFSBRXFBKGMBZ-GOSISDBHSA-N 1 0 389.446 4.322 20 0 GIADRO C[N@H+](CCCCNC(=O)Nc1ccc(Oc2cccc(F)c2F)nc1)C1CC1 ZINC000455286514 822627558 /nfs/dbraw/zinc/62/75/58/822627558.db2.gz UTYYBJQPMDCORT-UHFFFAOYSA-N 1 0 390.434 4.148 20 0 GIADRO C[N@H+](CCCCNC(=O)N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F)C1CC1 ZINC000455287106 822627795 /nfs/dbraw/zinc/62/77/95/822627795.db2.gz VWUCOWOMLNDEEA-HNNXBMFYSA-N 1 0 395.828 4.256 20 0 GIADRO C[C@@H]([NH2+][C@H](c1ccc(F)cc1F)C(C)(C)C)c1ccc(S(N)(=O)=O)cc1 ZINC000180152979 822627998 /nfs/dbraw/zinc/62/79/98/822627998.db2.gz RFPWIILEISGLEN-KZULUSFZSA-N 1 0 382.476 4.050 20 0 GIADRO Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000180158536 822629244 /nfs/dbraw/zinc/62/92/44/822629244.db2.gz HCOKEMIQPJFVMW-UYAOXDASSA-N 1 0 394.906 4.009 20 0 GIADRO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C3SCCS3)cc2)[C@@H]1c1ccccc1 ZINC000180159545 822629412 /nfs/dbraw/zinc/62/94/12/822629412.db2.gz NZEREBYAUIXUDR-MOPGFXCFSA-N 1 0 384.570 4.340 20 0 GIADRO Cc1nc(-c2cccc(NCc3c(Cl)cccc3N3CC[NH+](C)CC3)c2)no1 ZINC000180161249 822629777 /nfs/dbraw/zinc/62/97/77/822629777.db2.gz GVEQJDYYDIZOAB-UHFFFAOYSA-N 1 0 397.910 4.062 20 0 GIADRO O=C(C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1)N1CCc2sccc2C1 ZINC000180164645 822630445 /nfs/dbraw/zinc/63/04/45/822630445.db2.gz MHCDQIAVLMUQJI-LJQANCHMSA-N 1 0 394.462 4.393 20 0 GIADRO CC(C)c1nccn1Cc1cccc(NC(=O)NC[C@H](C)C[NH+]2CCCCC2)c1 ZINC000048084190 822630545 /nfs/dbraw/zinc/63/05/45/822630545.db2.gz FVYMBJQFWMBRBL-IBGZPJMESA-N 1 0 397.567 4.298 20 0 GIADRO C[C@H]([NH2+]CCCC(=O)N1Cc2ccccc2C1)c1nc2ccc(Cl)cc2n1C ZINC000180172687 822632123 /nfs/dbraw/zinc/63/21/23/822632123.db2.gz JJEPYSSKENIJHP-HNNXBMFYSA-N 1 0 396.922 4.200 20 0 GIADRO COc1ccc([C@@H]([NH2+]Cc2ccc(-n3ccnc3C)nc2)c2ccccc2)cc1 ZINC000180176654 822632788 /nfs/dbraw/zinc/63/27/88/822632788.db2.gz ACQDZIKORRJINB-DEOSSOPVSA-N 1 0 384.483 4.464 20 0 GIADRO Brc1ccc(CN2CCC[C@@H]([NH+]3CCCC3)CC2)c2ncccc12 ZINC000180182665 822634166 /nfs/dbraw/zinc/63/41/66/822634166.db2.gz PUVBSYDQEWXXIU-QGZVFWFLSA-N 1 0 388.353 4.448 20 0 GIADRO CCOc1cccc(NC(=O)NC[C@H](c2cccc(OC)c2)[NH+]2CCCC2)c1 ZINC000048118618 822634921 /nfs/dbraw/zinc/63/49/21/822634921.db2.gz DHUHORQWLCBXJQ-OAQYLSRUSA-N 1 0 383.492 4.053 20 0 GIADRO O=C(Nc1nc(Cc2ccccc2)cs1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000184438068 822635027 /nfs/dbraw/zinc/63/50/27/822635027.db2.gz CKIJJIBAPXLISU-YLJYHZDGSA-N 1 0 396.560 4.215 20 0 GIADRO COCCC(=O)N1CCC([NH2+][C@H](c2ccc(Cl)c(Cl)c2)C2CC2)CC1 ZINC000180193884 822636507 /nfs/dbraw/zinc/63/65/07/822636507.db2.gz FNYRXCWZAVFKAC-IBGZPJMESA-N 1 0 385.335 4.062 20 0 GIADRO COc1cccc([C@@H](CNC(=O)Nc2cccc(N(C)C)c2C)[NH+]2CCCC2)c1 ZINC000180196188 822637297 /nfs/dbraw/zinc/63/72/97/822637297.db2.gz GNPCRRPTMSCODL-JOCHJYFZSA-N 1 0 396.535 4.028 20 0 GIADRO CSc1ccc(Cl)c(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000180204502 822639069 /nfs/dbraw/zinc/63/90/69/822639069.db2.gz IDFZHNZOKXOBAB-UHFFFAOYSA-N 1 0 375.925 4.103 20 0 GIADRO CC(C)(O)C[N@H+](CCC(=O)Nc1ccccc1C(F)(F)F)Cc1ccccc1 ZINC000180204988 822639194 /nfs/dbraw/zinc/63/91/94/822639194.db2.gz DVLQNZJUHPTTND-UHFFFAOYSA-N 1 0 394.437 4.307 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc(OC)c(OC(F)F)c2)cc1 ZINC000048161166 822641139 /nfs/dbraw/zinc/64/11/39/822641139.db2.gz JSXSKVPULGDZOT-UHFFFAOYSA-N 1 0 392.446 4.068 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccc(Br)cc1Cl ZINC000048166635 822641719 /nfs/dbraw/zinc/64/17/19/822641719.db2.gz DNRZHWSZZVHSPM-HNNXBMFYSA-N 1 0 397.700 4.262 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)C1(c2ccc(F)cc2)CCCC1 ZINC000180225204 822643017 /nfs/dbraw/zinc/64/30/17/822643017.db2.gz KUUZYACSMVHFIW-UHFFFAOYSA-N 1 0 381.495 4.065 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1ccc(Br)cc1Cl)c1cccc(F)c1 ZINC000048184539 822643006 /nfs/dbraw/zinc/64/30/06/822643006.db2.gz SOYRMJGGQWTEQR-INIZCTEOSA-N 1 0 399.691 4.274 20 0 GIADRO O=C(CCCCC(=O)c1ccccc1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000048185644 822643198 /nfs/dbraw/zinc/64/31/98/822643198.db2.gz IVORAHHXVUXEPG-IBGZPJMESA-N 1 0 384.545 4.445 20 0 GIADRO C[C@H](Sc1ccccc1Cl)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180225736 822643256 /nfs/dbraw/zinc/64/32/56/822643256.db2.gz LRTPXHGPCYCKCJ-HNNXBMFYSA-N 1 0 389.952 4.248 20 0 GIADRO CC[C@@H](C)[NH+]1CCN(C(=O)Nc2ccc(F)cc2OCCC(F)(F)F)CC1 ZINC000455388990 822644992 /nfs/dbraw/zinc/64/49/92/822644992.db2.gz VZOPULQGFLWTQW-CYBMUJFWSA-N 1 0 391.409 4.105 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)Nc1cc(F)c(Br)cc1Cl ZINC000455389731 822645225 /nfs/dbraw/zinc/64/52/25/822645225.db2.gz ORFZCOKFDWKIIW-UHFFFAOYSA-N 1 0 394.716 4.484 20 0 GIADRO O=C([C@H]1CCn2ccnc2C1)N1CCCC[C@@H]1c1ccccc1C(F)(F)F ZINC000455393486 822645762 /nfs/dbraw/zinc/64/57/62/822645762.db2.gz ZFYURQWOQQBLTM-WMLDXEAASA-N 1 0 377.410 4.218 20 0 GIADRO O=C(NC[C@@H]1CCCC1(F)F)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000455393657 822645787 /nfs/dbraw/zinc/64/57/87/822645787.db2.gz COHCFGOHCBUWDB-PZJWPPBQSA-N 1 0 391.506 4.120 20 0 GIADRO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000048230327 822647292 /nfs/dbraw/zinc/64/72/92/822647292.db2.gz DTSZTDGXCZPCJJ-QWHCGFSZSA-N 1 0 393.890 4.293 20 0 GIADRO Cc1c(-c2cc(C[N@H+](Cc3ccc4c(c3)CCO4)C3CCCC3)on2)cnn1C ZINC000184508405 822647440 /nfs/dbraw/zinc/64/74/40/822647440.db2.gz KBECCJVQNQKRFL-UHFFFAOYSA-N 1 0 392.503 4.263 20 0 GIADRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+]C[C@H](C)CS(C)(=O)=O ZINC000184511789 822648157 /nfs/dbraw/zinc/64/81/57/822648157.db2.gz XFSMUPOYZXSAJS-RYUDHWBXSA-N 1 0 386.970 4.103 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc3c(c2)N(C)CC3)CC[N@@H+]1Cc1ccccc1 ZINC000180251455 822648325 /nfs/dbraw/zinc/64/83/25/822648325.db2.gz VZOLHJCXKMJFNA-GCJKJVERSA-N 1 0 392.547 4.196 20 0 GIADRO Cc1nc(N2CCOCC2)ccc1NC(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000180255543 822649192 /nfs/dbraw/zinc/64/91/92/822649192.db2.gz YEBWVBCIPCIMLI-UHFFFAOYSA-N 1 0 399.800 4.151 20 0 GIADRO CCC(=O)Nc1ccc(C)c(NC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000048257160 822649247 /nfs/dbraw/zinc/64/92/47/822649247.db2.gz NCJADWVZMIRHNB-OAQYLSRUSA-N 1 0 394.519 4.302 20 0 GIADRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000180259051 822649811 /nfs/dbraw/zinc/64/98/11/822649811.db2.gz IMLJZXOSQIQYNQ-PKOBYXMFSA-N 1 0 398.551 4.212 20 0 GIADRO CC(=O)Nc1ccc(C)c(NC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)c1 ZINC000048270234 822650219 /nfs/dbraw/zinc/65/02/19/822650219.db2.gz JBEREZZQUAPUTG-UHFFFAOYSA-N 1 0 394.519 4.002 20 0 GIADRO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000455421055 822650645 /nfs/dbraw/zinc/65/06/45/822650645.db2.gz MCNHIEAYWXCWEE-YUXAGFNASA-N 1 0 382.935 4.124 20 0 GIADRO Cc1cccc(C)c1C[NH2+]Cc1cccnc1Oc1cccc(S(C)(=O)=O)c1 ZINC000180263740 822650698 /nfs/dbraw/zinc/65/06/98/822650698.db2.gz MUGZDAAKLIYFFA-UHFFFAOYSA-N 1 0 396.512 4.184 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)Nc2ccc3c(c2)N(C)CC3)CC1 ZINC000180264379 822650766 /nfs/dbraw/zinc/65/07/66/822650766.db2.gz PVTJNVODWHBGJF-KRWDZBQOSA-N 1 0 378.520 4.026 20 0 GIADRO CC(C)(C)OC(=O)NC1CCC([NH2+]CCSCc2ccccc2C#N)CC1 ZINC000180273705 822652371 /nfs/dbraw/zinc/65/23/71/822652371.db2.gz BZOIDBBUCWKKNC-UHFFFAOYSA-N 1 0 389.565 4.217 20 0 GIADRO C[N@H+](CCCCNC(=O)Nc1nc2c(cccc2Br)s1)C1CC1 ZINC000455433315 822652845 /nfs/dbraw/zinc/65/28/45/822652845.db2.gz NLNBJCRPQZRGPC-UHFFFAOYSA-N 1 0 397.342 4.055 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CSCc2ccncc2)cc1 ZINC000048323295 822653607 /nfs/dbraw/zinc/65/36/07/822653607.db2.gz DBQKSJJVSFAXLR-SFHVURJKSA-N 1 0 383.561 4.006 20 0 GIADRO CCOCc1cc(C[N@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)ccc1OC ZINC000180280575 822654096 /nfs/dbraw/zinc/65/40/96/822654096.db2.gz IASRRNUCWSCFAY-DXPJPUQTSA-N 1 0 375.534 4.162 20 0 GIADRO CC(C)(C)[NH+]1CCC(Nc2ccc(Cc3nnc4n3CCCCC4)cc2)CC1 ZINC000184553665 822656312 /nfs/dbraw/zinc/65/63/12/822656312.db2.gz HURZQFZMCVGIMG-UHFFFAOYSA-N 1 0 381.568 4.270 20 0 GIADRO COCc1ccccc1C[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000048382284 822657908 /nfs/dbraw/zinc/65/79/08/822657908.db2.gz JXXSXVXHAJNJIW-UHFFFAOYSA-N 1 0 392.293 4.047 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)C[NH2+][C@H](c2ccc(F)cc2)C2CCCC2)cc1 ZINC000180294957 822658066 /nfs/dbraw/zinc/65/80/66/822658066.db2.gz PFGLJMMILHXLMH-QFIPXVFZSA-N 1 0 383.467 4.244 20 0 GIADRO Cc1cc(NC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)n(Cc2ccccc2)n1 ZINC000180300048 822659418 /nfs/dbraw/zinc/65/94/18/822659418.db2.gz WOPCCZVLNIKILJ-QUCCMNQESA-N 1 0 395.551 4.014 20 0 GIADRO CN(C)C(=O)CCC[NH2+][C@@H](c1ccc(Br)cc1)c1ccccc1F ZINC000180299980 822659455 /nfs/dbraw/zinc/65/94/55/822659455.db2.gz VHLUIQDINLJPEZ-IBGZPJMESA-N 1 0 393.300 4.136 20 0 GIADRO Cc1ccc(Oc2ccc(NC(=O)NC3CC[NH+](C4CC4)CC3)cn2)cc1C ZINC000048413120 822660287 /nfs/dbraw/zinc/66/02/87/822660287.db2.gz JPRWWUJYJREBKL-UHFFFAOYSA-N 1 0 380.492 4.239 20 0 GIADRO CC(C)[C@@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(C(F)(F)F)cc1 ZINC000455471590 822661060 /nfs/dbraw/zinc/66/10/60/822661060.db2.gz JAOVOADCNIZZNJ-HQSKLWIPSA-N 1 0 383.458 4.327 20 0 GIADRO COc1ccccc1NC(=O)C[NH2+][C@@H](COc1ccccc1F)c1ccccc1 ZINC000180310298 822661464 /nfs/dbraw/zinc/66/14/64/822661464.db2.gz SLBGYXJOFZJXLL-FQEVSTJZSA-N 1 0 394.446 4.183 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1cccnc1Cl)c1cccc(C(F)(F)F)c1 ZINC000184586313 822661794 /nfs/dbraw/zinc/66/17/94/822661794.db2.gz QKQLYMYXKLUTER-CQSZACIVSA-N 1 0 386.805 4.178 20 0 GIADRO Cc1ccc([C@@H](C[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)N(C)C)cc1 ZINC000180325096 822663654 /nfs/dbraw/zinc/66/36/54/822663654.db2.gz KIVADDONFQWHSF-SOAGJPPSSA-N 1 0 375.557 4.023 20 0 GIADRO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]C1CCC2(CC1)C(=O)Nc1ccccc12 ZINC000184611671 822665510 /nfs/dbraw/zinc/66/55/10/822665510.db2.gz VTRZQBSWAFXEGT-YWNJXLEPSA-N 1 0 380.536 4.430 20 0 GIADRO CC1(C)CC(NC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)CC(C)(C)[NH2+]1 ZINC000048483315 822666823 /nfs/dbraw/zinc/66/68/23/822666823.db2.gz QJXZPJFGSUVXNO-UHFFFAOYSA-N 1 0 394.519 4.370 20 0 GIADRO CC1CC[NH+](CCCNC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)CC1 ZINC000048483270 822666830 /nfs/dbraw/zinc/66/68/30/822666830.db2.gz JLXDVIPKFBZNPD-UHFFFAOYSA-N 1 0 394.519 4.182 20 0 GIADRO O=C(NCCOc1ccccc1-c1ccccc1)NC1CC[NH+](C2CCC2)CC1 ZINC000455502609 822667095 /nfs/dbraw/zinc/66/70/95/822667095.db2.gz LURVMFHVWZHUCW-UHFFFAOYSA-N 1 0 393.531 4.049 20 0 GIADRO Cc1cccc(CC[NH2+][C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)c1 ZINC000180350934 822668395 /nfs/dbraw/zinc/66/83/95/822668395.db2.gz OBDYMDXQSUFMKY-QHCPKHFHSA-N 1 0 379.525 4.320 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cc(C)n(-c3cccc(Cl)c3)n2)C1 ZINC000180352643 822668530 /nfs/dbraw/zinc/66/85/30/822668530.db2.gz UYLLCWREIFROPF-MRXNPFEDSA-N 1 0 389.931 4.030 20 0 GIADRO CC1CC[NH+](Cc2ccccc2CNC(=O)Nc2cccc(OCC#N)c2)CC1 ZINC000048509320 822668755 /nfs/dbraw/zinc/66/87/55/822668755.db2.gz IFEPEKZKFXMXBW-UHFFFAOYSA-N 1 0 392.503 4.143 20 0 GIADRO C[C@@H]1CN(C(=O)Nc2cc(F)cc(F)c2F)CC[N@H+](Cc2ccccc2)C1 ZINC000455544505 822672950 /nfs/dbraw/zinc/67/29/50/822672950.db2.gz OWQUISPFLBIGQP-AWEZNQCLSA-N 1 0 377.410 4.090 20 0 GIADRO COc1ccc([C@@H](C[NH2+][C@H](C)c2cc(F)c(F)c(F)c2)N(C)C)cc1OC ZINC000180381087 822673039 /nfs/dbraw/zinc/67/30/39/822673039.db2.gz IRARJXZLLMXXHY-SJKOYZFVSA-N 1 0 382.426 4.075 20 0 GIADRO C[C@@H](NC(=O)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)c1ccccc1 ZINC000048578670 822673733 /nfs/dbraw/zinc/67/37/33/822673733.db2.gz RBFCHSADUWEOOZ-GOSISDBHSA-N 1 0 393.531 4.267 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H]1CCCN(C)c2ccccc21 ZINC000455549325 822673726 /nfs/dbraw/zinc/67/37/26/822673726.db2.gz HZWPMRHDCWCXJJ-JOCHJYFZSA-N 1 0 394.563 4.251 20 0 GIADRO COc1cc([C@@H](C)[NH2+]CC[C@@H]2C(=O)Nc3ccccc32)ccc1OC(F)F ZINC000180393030 822674871 /nfs/dbraw/zinc/67/48/71/822674871.db2.gz IDCVQIDZXPPMOU-DOMZBBRYSA-N 1 0 376.403 4.073 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(Br)cc1C(F)(F)F ZINC000180400077 822675504 /nfs/dbraw/zinc/67/55/04/822675504.db2.gz ZYBGEOQPBJMDRQ-NSHDSACASA-N 1 0 393.247 4.072 20 0 GIADRO CC(C)[NH+]1CCC(N[C@@H](C)c2ccc(OC(F)F)cc2OC(F)F)CC1 ZINC000180405306 822676455 /nfs/dbraw/zinc/67/64/55/822676455.db2.gz UMYULUOIYKTXJD-LBPRGKRZSA-N 1 0 378.410 4.413 20 0 GIADRO COc1cccc(C[C@@H]([NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)C2CC2)c1 ZINC000180408585 822676628 /nfs/dbraw/zinc/67/66/28/822676628.db2.gz XAINKJFFGXPKSX-XMMPIXPASA-N 1 0 392.543 4.432 20 0 GIADRO COc1ccc([C@@H]([NH2+][C@H]2CCc3nc(C)nn3C2)c2ccc(Cl)cc2)cc1C ZINC000180410140 822677135 /nfs/dbraw/zinc/67/71/35/822677135.db2.gz YWRAQPPKXMAOGF-UGKGYDQZSA-N 1 0 396.922 4.251 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Nc1cc(OC)c(C)c(OC)c1 ZINC000455577125 822677431 /nfs/dbraw/zinc/67/74/31/822677431.db2.gz NJQXSLRTHCGYAA-UHFFFAOYSA-N 1 0 385.508 4.128 20 0 GIADRO Clc1ccc(CN2CCC([NH2+]Cc3cccc4c3OCCCO4)CC2)cc1 ZINC000048684815 822678190 /nfs/dbraw/zinc/67/81/90/822678190.db2.gz FKQDGTLNMQJRJA-UHFFFAOYSA-N 1 0 386.923 4.256 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)C3(Cc4ccccc4)CC3)cc2)CC1 ZINC000180417916 822678243 /nfs/dbraw/zinc/67/82/43/822678243.db2.gz BMTYFTNZMYUHAN-UHFFFAOYSA-N 1 0 377.532 4.178 20 0 GIADRO CC(=O)Nc1ccc(C[NH2+]Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)cc1 ZINC000048686132 822678242 /nfs/dbraw/zinc/67/82/42/822678242.db2.gz RRPWGKXAFZXIBP-UHFFFAOYSA-N 1 0 382.895 4.391 20 0 GIADRO CS[C@H](C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1)c1ccccc1 ZINC000180417804 822678280 /nfs/dbraw/zinc/67/82/80/822678280.db2.gz WWSMZNRVEHGQON-NRFANRHFSA-N 1 0 383.561 4.260 20 0 GIADRO COc1cc(Cl)cc(C[N@@H+](Cc2ccccc2)C[C@H](O)c2ccco2)c1O ZINC000184701652 822679129 /nfs/dbraw/zinc/67/91/29/822679129.db2.gz WIVFWBCFKPMFAW-SFHVURJKSA-N 1 0 387.863 4.383 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)Nc2cc(F)cc(F)c2F)CC1 ZINC000455586924 822679226 /nfs/dbraw/zinc/67/92/26/822679226.db2.gz LSGPNPHFXFTKHH-UHFFFAOYSA-N 1 0 377.410 4.198 20 0 GIADRO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000048711612 822679370 /nfs/dbraw/zinc/67/93/70/822679370.db2.gz NICZHHSPPGCGGH-GOSISDBHSA-N 1 0 396.485 4.383 20 0 GIADRO COCCOc1cccc(C[NH2+][C@H](C)c2ccc(NC(=O)NC(C)C)cc2)c1 ZINC000048714260 822679441 /nfs/dbraw/zinc/67/94/41/822679441.db2.gz NJAMIOJPYFQMNM-QGZVFWFLSA-N 1 0 385.508 4.093 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)Cc1c[nH]c2cc(F)ccc12 ZINC000180426421 822679628 /nfs/dbraw/zinc/67/96/28/822679628.db2.gz SAOGEUROPBZBMJ-UHFFFAOYSA-N 1 0 394.494 4.010 20 0 GIADRO CCCCOc1ccc([C@H](C)[NH2+]Cc2ccc(-n3cncn3)c(F)c2)cc1OC ZINC000048745302 822680706 /nfs/dbraw/zinc/68/07/06/822680706.db2.gz SMWOKGYRLYYVSX-INIZCTEOSA-N 1 0 398.482 4.445 20 0 GIADRO COc1ccc(C)cc1C[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000048745172 822680725 /nfs/dbraw/zinc/68/07/25/822680725.db2.gz FDLYWNKRZJOGSW-UHFFFAOYSA-N 1 0 394.437 4.149 20 0 GIADRO COc1cc([C@@H](C)[NH2+]Cc2cnn(C(C)(C)C)c2)ccc1OCc1ccncc1 ZINC000048746902 822680977 /nfs/dbraw/zinc/68/09/77/822680977.db2.gz HYJOFSFGYRWSGO-QGZVFWFLSA-N 1 0 394.519 4.472 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)CCCOc1ccc(F)cc1 ZINC000180434817 822681116 /nfs/dbraw/zinc/68/11/16/822681116.db2.gz LVABXOHVGCGQHG-UHFFFAOYSA-N 1 0 399.510 4.145 20 0 GIADRO COc1cccc(C[NH2+]Cc2ccc(OCc3csc(C)n3)cc2)c1OC ZINC000048751986 822681287 /nfs/dbraw/zinc/68/12/87/822681287.db2.gz CFSBEFPZCAIXFS-UHFFFAOYSA-N 1 0 384.501 4.338 20 0 GIADRO CCOc1cc(C[NH2+][C@H](C)c2ccc(C)cc2)ccc1O[C@H](C)C(=O)N(C)C ZINC000048751821 822681340 /nfs/dbraw/zinc/68/13/40/822681340.db2.gz LSZQKNLFYJTMIS-QZTJIDSGSA-N 1 0 384.520 4.100 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(Br)c(C3CC3)n2)C[C@H]1C ZINC000455600723 822681896 /nfs/dbraw/zinc/68/18/96/822681896.db2.gz RINAXJLIOSJESC-OCCSQVGLSA-N 1 0 395.345 4.058 20 0 GIADRO C[C@@H](CN[C@H](c1ccc(F)cc1)c1ccccc1Cl)C[NH+]1CCN(C)CC1 ZINC000180438221 822681958 /nfs/dbraw/zinc/68/19/58/822681958.db2.gz OOOSFXLXHTUYNT-HTAPYJJXSA-N 1 0 389.946 4.042 20 0 GIADRO COc1ccc(C[NH2+]Cc2ccc(OCc3csc(C)n3)cc2)c(OC)c1 ZINC000048776875 822682166 /nfs/dbraw/zinc/68/21/66/822682166.db2.gz ILOMBMQHGKQOAE-UHFFFAOYSA-N 1 0 384.501 4.338 20 0 GIADRO C[N@H+](CCCCNC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1)C1CC1 ZINC000455601857 822682321 /nfs/dbraw/zinc/68/23/21/822682321.db2.gz DCCYBDBTKYMDAE-QHCPKHFHSA-N 1 0 377.532 4.218 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1cc2ccccc2cc1O ZINC000180440213 822682375 /nfs/dbraw/zinc/68/23/75/822682375.db2.gz BXEZWXYOHFMBLA-UHFFFAOYSA-N 1 0 389.499 4.319 20 0 GIADRO C[C@H](NC(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)c1ccccc1Cl ZINC000048777094 822682466 /nfs/dbraw/zinc/68/24/66/822682466.db2.gz QLGIJJZLMWWTQP-INIZCTEOSA-N 1 0 399.922 4.142 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)NC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)c1 ZINC000048778844 822682659 /nfs/dbraw/zinc/68/26/59/822682659.db2.gz PHXJZQZTIDYOMO-QGZVFWFLSA-N 1 0 396.535 4.046 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)/C=C/SCc1ccco1 ZINC000180441797 822682805 /nfs/dbraw/zinc/68/28/05/822682805.db2.gz ISYHYDKHJGYLMI-CXUHLZMHSA-N 1 0 385.533 4.187 20 0 GIADRO COc1cc(C[NH2+]Cc2cccc(NC(=O)c3cccc(F)c3)c2)cc(OC)c1 ZINC000048781496 822682861 /nfs/dbraw/zinc/68/28/61/822682861.db2.gz NDFXOUQVAOFTPD-UHFFFAOYSA-N 1 0 394.446 4.385 20 0 GIADRO C[C@@H](C[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1)Cn1cccn1 ZINC000048785094 822683082 /nfs/dbraw/zinc/68/30/82/822683082.db2.gz NMLLSJIASZSSTA-INIZCTEOSA-N 1 0 382.895 4.215 20 0 GIADRO Cn1cc(CC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)cn1 ZINC000048784560 822683099 /nfs/dbraw/zinc/68/30/99/822683099.db2.gz RSHHUUUUTIQFNW-UHFFFAOYSA-N 1 0 391.906 4.259 20 0 GIADRO COc1cc(C[NH2+]Cc2cccc(C)n2)cc(OC)c1OCc1ccccc1 ZINC000048783970 822683100 /nfs/dbraw/zinc/68/31/00/822683100.db2.gz QWYKNAUJQPJIAB-UHFFFAOYSA-N 1 0 378.472 4.276 20 0 GIADRO COc1cc(OC)c([C@H](C)[NH2+]CCOc2cccc(NC(C)=O)c2)cc1Cl ZINC000180447670 822683793 /nfs/dbraw/zinc/68/37/93/822683793.db2.gz DANCUUOFIFYZOP-ZDUSSCGKSA-N 1 0 392.883 4.045 20 0 GIADRO COCc1ccccc1CNC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000048807515 822683958 /nfs/dbraw/zinc/68/39/58/822683958.db2.gz GLLGZXVPZSMTRB-UHFFFAOYSA-N 1 0 395.547 4.064 20 0 GIADRO C[C@@H](Cc1ccc(O)cc1)[NH2+][C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 ZINC000180449365 822684310 /nfs/dbraw/zinc/68/43/10/822684310.db2.gz IGBPRDGBPZGACV-GAJHUEQPSA-N 1 0 395.524 4.106 20 0 GIADRO C[N@H+](CCCCNC(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1)C1CC1 ZINC000455610408 822684337 /nfs/dbraw/zinc/68/43/37/822684337.db2.gz KWZFFTBSOBVKCR-UHFFFAOYSA-N 1 0 387.474 4.228 20 0 GIADRO CS[C@@H](C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000180450484 822684562 /nfs/dbraw/zinc/68/45/62/822684562.db2.gz IAAYUQVEHQGJAP-OAQYLSRUSA-N 1 0 383.561 4.251 20 0 GIADRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCc1nc(-c2ccsc2)no1 ZINC000184741866 822684717 /nfs/dbraw/zinc/68/47/17/822684717.db2.gz YFOBQOPZYUKMLG-HZPDHXFCSA-N 1 0 382.533 4.044 20 0 GIADRO O=C(N[C@@H](c1ccccc1)C(F)F)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000455615210 822684769 /nfs/dbraw/zinc/68/47/69/822684769.db2.gz FXGFIFFFYYWHHS-NZQKXSOJSA-N 1 0 399.485 4.300 20 0 GIADRO CCC[C@H]1C[C@H](C(=O)N(c2cccc(SC)c2)C2CC[NH+](C)CC2)CCO1 ZINC000180453458 822685083 /nfs/dbraw/zinc/68/50/83/822685083.db2.gz HNWLXQOGLWERNF-XLIONFOSSA-N 1 0 390.593 4.431 20 0 GIADRO CCC[C@@H]1C[C@@H](C(=O)N(c2cccc(SC)c2)C2CC[NH+](C)CC2)CCO1 ZINC000180453477 822685109 /nfs/dbraw/zinc/68/51/09/822685109.db2.gz HNWLXQOGLWERNF-FXAWDEMLSA-N 1 0 390.593 4.431 20 0 GIADRO Cc1nn(-c2cccc(Cl)c2)c(Cl)c1CN1CCS[C@H]2COCC[C@@H]21 ZINC000180455414 822685486 /nfs/dbraw/zinc/68/54/86/822685486.db2.gz TZUGUPJZZJURII-IRXDYDNUSA-N 1 0 398.359 4.194 20 0 GIADRO O=C(Nc1cccc(C2CC2)n1)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000455623799 822685900 /nfs/dbraw/zinc/68/59/00/822685900.db2.gz WYURTGCLOCXWKD-IRLDBZIGSA-N 1 0 390.531 4.477 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]CCCc2cccc(Cl)c2)c1 ZINC000180462509 822686439 /nfs/dbraw/zinc/68/64/39/822686439.db2.gz VASQFEULZXNELS-OAHLLOKOSA-N 1 0 390.911 4.297 20 0 GIADRO C[C@@H](CN(C)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1nccs1 ZINC000184758511 822686889 /nfs/dbraw/zinc/68/68/89/822686889.db2.gz DXUQNWOTSCUKIB-KRWDZBQOSA-N 1 0 386.565 4.074 20 0 GIADRO C[NH+](C)[C@@H]1CCCN(C(=O)Nc2cc(Cl)ccc2OC(F)(F)F)CC1 ZINC000455633623 822687404 /nfs/dbraw/zinc/68/74/04/822687404.db2.gz CTKIOJYENKLMIC-GFCCVEGCSA-N 1 0 379.810 4.187 20 0 GIADRO CCC[C@H]1C[C@@H](C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CCO1 ZINC000180471576 822687917 /nfs/dbraw/zinc/68/79/17/822687917.db2.gz YLYPZEMUZMZGNT-GSPCLOLRSA-N 1 0 384.564 4.095 20 0 GIADRO CCC[C@@H]1C[C@@H](C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CCO1 ZINC000180471558 822687938 /nfs/dbraw/zinc/68/79/38/822687938.db2.gz YLYPZEMUZMZGNT-WBADGQHESA-N 1 0 384.564 4.095 20 0 GIADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)CSCc2cccnc2)C1 ZINC000048886610 822688025 /nfs/dbraw/zinc/68/80/25/822688025.db2.gz PCWREWQBEXICCH-RTBURBONSA-N 1 0 397.588 4.109 20 0 GIADRO Fc1ccc(CC[NH+]2CCC(NCc3nc4ccccc4n3C3CC3)CC2)cc1 ZINC000184782690 822690177 /nfs/dbraw/zinc/69/01/77/822690177.db2.gz QTWUMVPGWZSXQV-UHFFFAOYSA-N 1 0 392.522 4.307 20 0 GIADRO CSCc1ccccc1NC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000184788494 822691127 /nfs/dbraw/zinc/69/11/27/822691127.db2.gz AMIDCOYOFPNXRR-UHFFFAOYSA-N 1 0 375.513 4.284 20 0 GIADRO Cc1nc(-c2cccs2)sc1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000049073565 822692173 /nfs/dbraw/zinc/69/21/73/822692173.db2.gz DUWDITZRUAQORP-UHFFFAOYSA-N 1 0 375.563 4.128 20 0 GIADRO CCCCOc1ccc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)cc1OCC ZINC000049073140 822692187 /nfs/dbraw/zinc/69/21/87/822692187.db2.gz IARWHEFLBSWEDT-UHFFFAOYSA-N 1 0 388.552 4.212 20 0 GIADRO CC[NH+](CC)CC1CCN(C(=O)C(C)(C)c2ccc(Br)cc2)CC1 ZINC000049075342 822692190 /nfs/dbraw/zinc/69/21/90/822692190.db2.gz VBBSJTPDFGWRLN-UHFFFAOYSA-N 1 0 395.385 4.307 20 0 GIADRO C[C@H](NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)c1nc2ccccc2n1C ZINC000184798884 822692509 /nfs/dbraw/zinc/69/25/09/822692509.db2.gz FROSHVVHMXXQGK-SFHVURJKSA-N 1 0 390.531 4.053 20 0 GIADRO CSCc1ccccc1NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000184798809 822692510 /nfs/dbraw/zinc/69/25/10/822692510.db2.gz ZFWJXYFCJRDZSA-UHFFFAOYSA-N 1 0 387.524 4.475 20 0 GIADRO Cc1c(CSC(C)C)cccc1NC(=O)Nc1ccnn1CC[NH+](C)C ZINC000455655380 822692533 /nfs/dbraw/zinc/69/25/33/822692533.db2.gz JHFPFMMEZONADO-UHFFFAOYSA-N 1 0 375.542 4.039 20 0 GIADRO C[NH+](C)Cc1c2ccccc2oc1C(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000180513817 822694429 /nfs/dbraw/zinc/69/44/29/822694429.db2.gz ZBOJBHXFKUGMMJ-UYAOXDASSA-N 1 0 398.890 4.408 20 0 GIADRO C[C@H](NC(=O)N[C@H](c1ccccc1)C(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000455664201 822694667 /nfs/dbraw/zinc/69/46/67/822694667.db2.gz YFSRSUXRDUJDGJ-FFZOFVMBSA-N 1 0 387.474 4.203 20 0 GIADRO CC(C)c1ccc([C@H](NC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)C(C)C)cc1 ZINC000049201806 822694965 /nfs/dbraw/zinc/69/49/65/822694965.db2.gz DGORMPKZKDTDJV-JOCHJYFZSA-N 1 0 395.547 4.324 20 0 GIADRO C[C@H](N[C@@H](C)c1nc(-c2ccccc2)cs1)C(=O)N1CCc2ccccc2C1 ZINC000180525069 822695994 /nfs/dbraw/zinc/69/59/94/822695994.db2.gz ANCQKKZDWKPNAQ-IRXDYDNUSA-N 1 0 391.540 4.434 20 0 GIADRO CN(C(=O)Nc1ccc([C@@H]2CCOC2)cc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000455670742 822696571 /nfs/dbraw/zinc/69/65/71/822696571.db2.gz XDVRGLXZRQLDMD-MRXNPFEDSA-N 1 0 399.457 4.071 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Cc1c[nH]c2ccccc12)c1cccc(C(F)(F)F)c1 ZINC000184833987 822697394 /nfs/dbraw/zinc/69/73/94/822697394.db2.gz VQKSPCNWRMEJBN-LJQANCHMSA-N 1 0 389.421 4.148 20 0 GIADRO Cc1nc(C)c([C@H](C)[NH2+]C[C@@H](c2cccc(Cl)c2)N2CCOCC2)s1 ZINC000180535469 822697830 /nfs/dbraw/zinc/69/78/30/822697830.db2.gz YSGOAEZBKCSOIW-UGSOOPFHSA-N 1 0 379.957 4.137 20 0 GIADRO Cc1cc(Br)c(F)cc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000184837648 822697917 /nfs/dbraw/zinc/69/79/17/822697917.db2.gz OHJWSLIWNNRJPM-KGLIPLIRSA-N 1 0 398.320 4.376 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCc2ccc(Cl)cn2)cc1 ZINC000180536292 822698246 /nfs/dbraw/zinc/69/82/46/822698246.db2.gz CORACZYWYYQXBM-MRXNPFEDSA-N 1 0 386.927 4.109 20 0 GIADRO COc1ccc([C@H]([NH2+]CCNC(=O)c2ccccc2Cl)c2ccccc2)cc1 ZINC000180538212 822698458 /nfs/dbraw/zinc/69/84/58/822698458.db2.gz TXENXQJONORHAT-JOCHJYFZSA-N 1 0 394.902 4.458 20 0 GIADRO CN(C(=O)Nc1ccc([C@H]2CCOC2)cc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000455678059 822698504 /nfs/dbraw/zinc/69/85/04/822698504.db2.gz WPFJERMUIUQWCT-GMAHTHKFSA-N 1 0 393.531 4.319 20 0 GIADRO O=C(Nc1ccc(C2CCC2)cn1)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000455678087 822698557 /nfs/dbraw/zinc/69/85/57/822698557.db2.gz XAWHYIWTWAYENN-XMMPIXPASA-N 1 0 390.531 4.479 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1ccc([C@H]2CCOC2)cc1 ZINC000455679471 822698916 /nfs/dbraw/zinc/69/89/16/822698916.db2.gz ZOUAXNXVWBECOD-NRFANRHFSA-N 1 0 381.520 4.354 20 0 GIADRO CC(C)[C@@H](NC(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)c1ccccc1 ZINC000049330150 822699017 /nfs/dbraw/zinc/69/90/17/822699017.db2.gz VFHOZIITADUJEN-JOCHJYFZSA-N 1 0 393.531 4.125 20 0 GIADRO C[C@@H]([NH2+]C[C@H](c1ccco1)N1CCCC1)c1ccc(Br)cc1O ZINC000184845342 822699340 /nfs/dbraw/zinc/69/93/40/822699340.db2.gz URQXECIGFCJYIA-CZUORRHYSA-N 1 0 379.298 4.235 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@@H](c2ccc(F)cc2)C(C)C)c1 ZINC000049332145 822699426 /nfs/dbraw/zinc/69/94/26/822699426.db2.gz FTZZTHHRUPVHQY-OAQYLSRUSA-N 1 0 399.510 4.120 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(C2CCC2)cn1 ZINC000455684350 822700517 /nfs/dbraw/zinc/70/05/17/822700517.db2.gz ZQXYUIBBGJYOCV-LJQANCHMSA-N 1 0 378.520 4.335 20 0 GIADRO C[NH+](C)C1CCN(C(=O)Nc2ccc(Br)c(Cl)c2Cl)CC1 ZINC000184864318 822702799 /nfs/dbraw/zinc/70/27/99/822702799.db2.gz GEPVMHSTMFWWMM-UHFFFAOYSA-N 1 0 395.128 4.314 20 0 GIADRO CCc1noc(-c2ccc(CC[NH2+][C@H](C)c3ccc(OC)c(COC)c3)cc2)n1 ZINC000180561616 822702954 /nfs/dbraw/zinc/70/29/54/822702954.db2.gz WWGNMFZYHYESEN-MRXNPFEDSA-N 1 0 395.503 4.347 20 0 GIADRO Cc1c(Cl)cncc1NC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000455691175 822703020 /nfs/dbraw/zinc/70/30/20/822703020.db2.gz HHYXJFOKZXAPAF-OAQYLSRUSA-N 1 0 384.911 4.173 20 0 GIADRO CSc1ccc([C@@H](CNC(=O)Nc2cncc(Cl)c2C)[NH+](C)C)cc1 ZINC000455692949 822703670 /nfs/dbraw/zinc/70/36/70/822703670.db2.gz KXMIKLLFXLSLCN-QGZVFWFLSA-N 1 0 378.929 4.190 20 0 GIADRO Cc1ccc(F)c(Br)c1NC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000455704485 822707581 /nfs/dbraw/zinc/70/75/81/822707581.db2.gz AHCCMRIRSKDAPF-UHFFFAOYSA-N 1 0 386.309 4.235 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)N(C)Cc3cccc(Cl)c3)c2)CC1 ZINC000184889437 822707756 /nfs/dbraw/zinc/70/77/56/822707756.db2.gz FZKHQNRTJMNWNB-UHFFFAOYSA-N 1 0 386.927 4.146 20 0 GIADRO C[C@H]([NH2+]CC(=O)N1CCCCCC1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000180600759 822709078 /nfs/dbraw/zinc/70/90/78/822709078.db2.gz TWAPSQJVQSVQAG-KRWDZBQOSA-N 1 0 397.494 4.131 20 0 GIADRO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000180604013 822709949 /nfs/dbraw/zinc/70/99/49/822709949.db2.gz YXOOCBLSRXCLQR-FPOVZHCZSA-N 1 0 383.467 4.309 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(N2CCCC2=O)cc1)c1cc(Br)ccc1O ZINC000184905033 822710823 /nfs/dbraw/zinc/71/08/23/822710823.db2.gz HRNGBDVUCRDSEK-ZDUSSCGKSA-N 1 0 389.293 4.132 20 0 GIADRO CC[NH+](CC)CCCNC(=O)c1ccccc1SCc1c(C)noc1C ZINC000049934494 822711535 /nfs/dbraw/zinc/71/15/35/822711535.db2.gz ORRXMMLSFFHVII-UHFFFAOYSA-N 1 0 375.538 4.045 20 0 GIADRO Cn1cc(NC(=O)NCCC[N@H+](C)C2CCCCC2)c(C2CCCCC2)n1 ZINC000455716074 822711543 /nfs/dbraw/zinc/71/15/43/822711543.db2.gz PKLJWLUVBAEKLC-UHFFFAOYSA-N 1 0 375.561 4.244 20 0 GIADRO C[C@@H]([NH2+]Cc1ccccc1Cn1cccn1)c1cc(Br)ccc1O ZINC000184911063 822712006 /nfs/dbraw/zinc/71/20/06/822712006.db2.gz IDYHYLDGCLEXDN-CQSZACIVSA-N 1 0 386.293 4.250 20 0 GIADRO C[C@@H]1CC[N@H+](CC2=Cc3cc(Br)ccc3OC2)C[C@@H]1n1ccnc1 ZINC000180611807 822712110 /nfs/dbraw/zinc/71/21/10/822712110.db2.gz CVMOYXQTANSFOV-KDOFPFPSSA-N 1 0 388.309 4.005 20 0 GIADRO C[C@H]1CC[N@H+](CC2=Cc3cc(Br)ccc3OC2)C[C@@H]1n1ccnc1 ZINC000180611825 822712125 /nfs/dbraw/zinc/71/21/25/822712125.db2.gz CVMOYXQTANSFOV-KSSFIOAISA-N 1 0 388.309 4.005 20 0 GIADRO O=C(Nc1ccc2c(c1)CCCC2=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000455720065 822712982 /nfs/dbraw/zinc/71/29/82/822712982.db2.gz UUKDURZEEKJMGB-UHFFFAOYSA-N 1 0 383.536 4.326 20 0 GIADRO CC(C)CN(C(=O)[C@H]1C[C@H]1c1cccc(Br)c1)C1CC[NH+](C)CC1 ZINC000049993611 822713383 /nfs/dbraw/zinc/71/33/83/822713383.db2.gz CNMUDTUGCXTXPF-OALUTQOASA-N 1 0 393.369 4.131 20 0 GIADRO CC[C@@H]([NH2+]Cc1cc(=O)oc2cc3c(cc12)CCC3)c1ccc2c(c1)OCCO2 ZINC000180622056 822714241 /nfs/dbraw/zinc/71/42/41/822714241.db2.gz BFJUKUAEJMROGL-HXUWFJFHSA-N 1 0 391.467 4.294 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)Nc1ccc(SC(F)F)cc1 ZINC000180622614 822714553 /nfs/dbraw/zinc/71/45/53/822714553.db2.gz JWHQSHPYFZTEBP-UHFFFAOYSA-N 1 0 392.475 4.434 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)N(C)[C@@H](C)c3ccc(OC)cc3)c2)CC1 ZINC000184928389 822714697 /nfs/dbraw/zinc/71/46/97/822714697.db2.gz YIACZBZBGQDPJH-SFHVURJKSA-N 1 0 396.535 4.062 20 0 GIADRO CC1CCN(Cc2csc(NC(=O)c3cccc(C[NH+]4CCCC4)c3)n2)CC1 ZINC000050026795 822714896 /nfs/dbraw/zinc/71/48/96/822714896.db2.gz WMIOIXNXFPLKPR-UHFFFAOYSA-N 1 0 398.576 4.223 20 0 GIADRO COc1ccc([C@H]2CCCN2C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000050026784 822714922 /nfs/dbraw/zinc/71/49/22/822714922.db2.gz UPZXDHLWSXLQNV-JTHBVZDNSA-N 1 0 378.516 4.271 20 0 GIADRO O=C(c1ccccc1)C1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000050028806 822715087 /nfs/dbraw/zinc/71/50/87/822715087.db2.gz AJUZQTOOHAATAC-HSZRJFAPSA-N 1 0 390.527 4.020 20 0 GIADRO Cc1ccc(NC(=O)C2CC2)cc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000050032882 822715188 /nfs/dbraw/zinc/71/51/88/822715188.db2.gz PQWKAUZGAZJOSZ-HXUWFJFHSA-N 1 0 391.515 4.194 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1cc(Br)cc(F)c1[O-] ZINC000184937010 822715578 /nfs/dbraw/zinc/71/55/78/822715578.db2.gz ZFTKDYUGHIHTJT-LBPRGKRZSA-N 1 0 381.289 4.206 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1cc(Br)cc(F)c1[O-] ZINC000184937041 822715640 /nfs/dbraw/zinc/71/56/40/822715640.db2.gz ZFTKDYUGHIHTJT-GFCCVEGCSA-N 1 0 381.289 4.206 20 0 GIADRO Cc1sc([C@H](C)[NH2+]C[C@H](O)COCC(C)C)nc1-c1ccc(Cl)cc1 ZINC000184941988 822716389 /nfs/dbraw/zinc/71/63/89/822716389.db2.gz XALMGXACTNDVOX-GUYCJALGSA-N 1 0 382.957 4.456 20 0 GIADRO O=C([C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000184955907 822718058 /nfs/dbraw/zinc/71/80/58/822718058.db2.gz QDAIZALCCHBITR-KBAYOESNSA-N 1 0 394.481 4.322 20 0 GIADRO Cc1ccc(F)c(Br)c1NC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000455749222 822719394 /nfs/dbraw/zinc/71/93/94/822719394.db2.gz JZPVUBHWWRYQPW-OAHLLOKOSA-N 1 0 394.288 4.321 20 0 GIADRO Cc1nc(C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)c(-c2ccccc2)o1 ZINC000184967163 822719474 /nfs/dbraw/zinc/71/94/74/822719474.db2.gz HLLOPHYGTXPBFA-GOSISDBHSA-N 1 0 389.499 4.387 20 0 GIADRO O=C(C[NH2+][C@@H](Cc1ccccc1)c1cccs1)N[C@H]1CCOc2ccccc21 ZINC000184975427 822720366 /nfs/dbraw/zinc/72/03/66/822720366.db2.gz OGDSOQLOPDDIDP-PMACEKPBSA-N 1 0 392.524 4.262 20 0 GIADRO CCCn1ncc(NC(=O)N(CC)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1C1CC1 ZINC000455761175 822721460 /nfs/dbraw/zinc/72/14/60/822721460.db2.gz XTYDAKWZQBXZBN-HXUWFJFHSA-N 1 0 395.551 4.299 20 0 GIADRO CCCn1ncc(NC(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)c1C1CC1 ZINC000455761201 822721667 /nfs/dbraw/zinc/72/16/67/822721667.db2.gz XXAGVTLEGKHFPH-HSZRJFAPSA-N 1 0 395.551 4.347 20 0 GIADRO COCc1ccc(CNC(=O)C[NH2+][C@@H](Cc2ccccc2)c2cccs2)cc1 ZINC000184986796 822722147 /nfs/dbraw/zinc/72/21/47/822722147.db2.gz ITSGEIDZWAAGFF-NRFANRHFSA-N 1 0 394.540 4.084 20 0 GIADRO COc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2ccc(C(F)F)cc2)c(OC)c1 ZINC000184990125 822722694 /nfs/dbraw/zinc/72/26/94/822722694.db2.gz RZGSXUUNLJUMMY-CYBMUJFWSA-N 1 0 378.419 4.148 20 0 GIADRO C[C@@H]([NH2+]C[C@H]1CCN(c2ccccc2)C1)c1cc(Br)ccc1O ZINC000184998070 822723564 /nfs/dbraw/zinc/72/35/64/822723564.db2.gz RNLYCQOTXCFKTF-HUUCEWRRSA-N 1 0 375.310 4.332 20 0 GIADRO CSc1cccc(C)c1NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000185015451 822725441 /nfs/dbraw/zinc/72/54/41/822725441.db2.gz PIUWWFKLLXVGPT-UHFFFAOYSA-N 1 0 375.513 4.452 20 0 GIADRO O=C(c1ccn(-c2ccccc2Cl)n1)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000050333094 822726140 /nfs/dbraw/zinc/72/61/40/822726140.db2.gz NRTNRUAXLRQSMO-KRWDZBQOSA-N 1 0 392.890 4.151 20 0 GIADRO COc1cc(C)c(Br)cc1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000185037114 822727781 /nfs/dbraw/zinc/72/77/81/822727781.db2.gz AGYCNRWDCSBVIO-UHFFFAOYSA-N 1 0 377.282 4.080 20 0 GIADRO C[C@H]([NH2+]Cc1ccnc(N2CCCCC2)c1)c1ccc(Br)cc1O ZINC000185054635 822729949 /nfs/dbraw/zinc/72/99/49/822729949.db2.gz VXQZFRIKRVJSKJ-AWEZNQCLSA-N 1 0 390.325 4.391 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185056812 822730259 /nfs/dbraw/zinc/73/02/59/822730259.db2.gz SLUXCSCLLLFLEA-CYBMUJFWSA-N 1 0 383.319 4.490 20 0 GIADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccccc2C(C)(F)F)[C@H](C)C1 ZINC000455809438 822730391 /nfs/dbraw/zinc/73/03/91/822730391.db2.gz OHAQVDJKAGFNRQ-NVXWUHKLSA-N 1 0 383.483 4.057 20 0 GIADRO CC(C)C(=O)c1ccc(NC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cc1 ZINC000455811932 822730741 /nfs/dbraw/zinc/73/07/41/822730741.db2.gz GEKYBTGDZNAWPP-UHFFFAOYSA-N 1 0 379.504 4.265 20 0 GIADRO C[C@H](C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1cn(C)c2ccccc12 ZINC000185060886 822731061 /nfs/dbraw/zinc/73/10/61/822731061.db2.gz ZZEHCIHQCSVRML-KRWDZBQOSA-N 1 0 393.506 4.202 20 0 GIADRO C[C@@H](c1ccc(C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)cc1)C(F)(F)F ZINC000455818829 822731732 /nfs/dbraw/zinc/73/17/32/822731732.db2.gz HZXFXYLQMQOEJH-INIZCTEOSA-N 1 0 398.469 4.069 20 0 GIADRO 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 822731934 /nfs/dbraw/zinc/73/19/34/822731934.db2.gz AKHSJNMPPGDHGL-CYGHRXIMSA-N 1 0 394.481 4.320 20 0 GIADRO CCCn1ncc(NC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1C1CC1 ZINC000455821902 822732246 /nfs/dbraw/zinc/73/22/46/822732246.db2.gz DFFOPAXWPVDSMP-CALCHBBNSA-N 1 0 375.561 4.050 20 0 GIADRO CCN(CC)c1ccc(C[NH2+][C@H](C)c2ccc(Br)cc2O)cn1 ZINC000185085494 822734709 /nfs/dbraw/zinc/73/47/09/822734709.db2.gz OFWXXPPFDPCVNG-CYBMUJFWSA-N 1 0 378.314 4.247 20 0 GIADRO CCCn1ncc(NC(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)c1C1CC1 ZINC000455838797 822734836 /nfs/dbraw/zinc/73/48/36/822734836.db2.gz WBBQGLPIAVZVTF-HZPDHXFCSA-N 1 0 375.561 4.049 20 0 GIADRO CCCn1ncc(NC(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)c1C1CC1 ZINC000455838798 822734844 /nfs/dbraw/zinc/73/48/44/822734844.db2.gz WBBQGLPIAVZVTF-IYBDPMFKSA-N 1 0 375.561 4.049 20 0 GIADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2ccn(-c3ccccc3Cl)n2)C1 ZINC000050629625 822735147 /nfs/dbraw/zinc/73/51/47/822735147.db2.gz AWGOOCIJLPEABW-BRWVUGGUSA-N 1 0 386.927 4.003 20 0 GIADRO COC[C@H](NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)c1ccc(Cl)cc1 ZINC000455845578 822736001 /nfs/dbraw/zinc/73/60/01/822736001.db2.gz HRJJCFWVWRNKKF-VQTJNVASSA-N 1 0 387.911 4.398 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCO[C@H](c4cccc(Cl)c4)C3)ccc21 ZINC000455846282 822736192 /nfs/dbraw/zinc/73/61/92/822736192.db2.gz IENYVNQWUXCTPJ-RTWAWAEBSA-N 1 0 399.922 4.494 20 0 GIADRO CC[C@@H]([NH2+]C[C@@H](O)COC(c1ccccc1)c1ccccc1)c1nccs1 ZINC000185105990 822737804 /nfs/dbraw/zinc/73/78/04/822737804.db2.gz OBSUCGCVEORUAU-WOJBJXKFSA-N 1 0 382.529 4.351 20 0 GIADRO COc1cc(C[NH2+]C[C@@](C)(O)c2cccc(Cl)c2)c(SC)cc1OC ZINC000185113902 822738824 /nfs/dbraw/zinc/73/88/24/822738824.db2.gz HOJQPCDYNDVRJQ-LJQANCHMSA-N 1 0 381.925 4.076 20 0 GIADRO Cc1cnc(C2CCN(C(=O)Nc3ccc4c(c3)CC[C@H]4[NH+](C)C)CC2)s1 ZINC000455863150 822739139 /nfs/dbraw/zinc/73/91/39/822739139.db2.gz RWSJHEUELHTYRP-LJQANCHMSA-N 1 0 384.549 4.412 20 0 GIADRO C[C@](O)(C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)c1cccc(Cl)c1 ZINC000185117095 822739137 /nfs/dbraw/zinc/73/91/37/822739137.db2.gz HLPXVHWKEZSIRO-QFIPXVFZSA-N 1 0 394.906 4.114 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N[C@@H](c3nccs3)C(F)(F)F)ccc21 ZINC000455865151 822739228 /nfs/dbraw/zinc/73/92/28/822739228.db2.gz TZVNKZKWCPPESX-KGLIPLIRSA-N 1 0 384.427 4.117 20 0 GIADRO C[C@@](O)(C[NH2+]Cc1cccc(OCc2ccccn2)c1)c1cccc(Cl)c1 ZINC000185120148 822739496 /nfs/dbraw/zinc/73/94/96/822739496.db2.gz OWKLZTVKCMNURX-JOCHJYFZSA-N 1 0 382.891 4.311 20 0 GIADRO CCSCc1ccc(NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000455871104 822740358 /nfs/dbraw/zinc/74/03/58/822740358.db2.gz ZRUNTZTYHOHALV-UHFFFAOYSA-N 1 0 384.549 4.121 20 0 GIADRO COc1cc(C[NH2+]Cc2cnccc2N(C)C)ccc1OCc1ccccc1 ZINC000185127420 822740423 /nfs/dbraw/zinc/74/04/23/822740423.db2.gz HAMCLYFYNONYBA-UHFFFAOYSA-N 1 0 377.488 4.025 20 0 GIADRO C[N@H+](C[C@H]1CCCO[C@@H]1c1ccccc1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000050928112 822742606 /nfs/dbraw/zinc/74/26/06/822742606.db2.gz DEXDTLUNHKJZTQ-DYESRHJHSA-N 1 0 380.448 4.002 20 0 GIADRO COc1ccc([C@@H]2CCC[N@@H+]2CC2CCN(C(=O)C(C)(C)C)CC2)cc1OC ZINC000185151768 822743320 /nfs/dbraw/zinc/74/33/20/822743320.db2.gz IBQYWYKSZSAEBW-IBGZPJMESA-N 1 0 388.552 4.125 20 0 GIADRO CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000051012961 822743937 /nfs/dbraw/zinc/74/39/37/822743937.db2.gz UJMHTKPEWYSXAY-INIZCTEOSA-N 1 0 397.544 4.360 20 0 GIADRO CC(C)[C@@H](CO)N(Cc1ccccc1)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455902880 822745408 /nfs/dbraw/zinc/74/54/08/822745408.db2.gz GLVNQNBROOMBGZ-DHIUTWEWSA-N 1 0 395.547 4.287 20 0 GIADRO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000051061054 822745553 /nfs/dbraw/zinc/74/55/53/822745553.db2.gz LOFHHKPJOWFNJY-INIZCTEOSA-N 1 0 375.900 4.123 20 0 GIADRO CN(C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)[C@H]1CCCN(c2ccccc2)C1 ZINC000455907140 822746549 /nfs/dbraw/zinc/74/65/49/822746549.db2.gz IBRYRLOSXQHFFJ-GMAHTHKFSA-N 1 0 392.547 4.368 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)Nc3ccc(O[C@@H]4CCOC4)cc3)ccc21 ZINC000455906991 822746565 /nfs/dbraw/zinc/74/65/65/822746565.db2.gz HXPYNRJKJIZWGU-TZIWHRDSSA-N 1 0 381.476 4.047 20 0 GIADRO CN(C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000455907111 822746570 /nfs/dbraw/zinc/74/65/70/822746570.db2.gz IBRYRLOSXQHFFJ-FYYLOGMGSA-N 1 0 392.547 4.368 20 0 GIADRO COc1ccc(NC(=O)CC[N@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)cc1 ZINC000051131951 822747078 /nfs/dbraw/zinc/74/70/78/822747078.db2.gz FIRWENOPPQREQQ-WMZHIEFXSA-N 1 0 382.504 4.124 20 0 GIADRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(Cl)cc1)c1ccc2ccccc2c1O ZINC000185190686 822747409 /nfs/dbraw/zinc/74/74/09/822747409.db2.gz NTNXYXLPCWQBMO-CQSZACIVSA-N 1 0 389.904 4.323 20 0 GIADRO C[N@@H+](CC(=O)N[C@@H]1CCCc2ccccc21)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133227 822747495 /nfs/dbraw/zinc/74/74/95/822747495.db2.gz ICTSMZNAZAASNO-QQKQFIJSSA-N 1 0 392.543 4.280 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)NCc3nc(C(F)(F)F)cs3)ccc21 ZINC000455910800 822747548 /nfs/dbraw/zinc/74/75/48/822747548.db2.gz IPYXQYHRXMSXOA-ZDUSSCGKSA-N 1 0 384.427 4.033 20 0 GIADRO C[C@@H]1Cc2ccccc2N1C(=O)C[N@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133313 822747588 /nfs/dbraw/zinc/74/75/88/822747588.db2.gz DEWQFSABTJHXNU-UTSGNWPNSA-N 1 0 378.516 4.064 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CC[C@H](COCc4ccccc4)C3)ccc21 ZINC000455919660 822749425 /nfs/dbraw/zinc/74/94/25/822749425.db2.gz LLRPBZIAJIAPSM-WMZHIEFXSA-N 1 0 393.531 4.306 20 0 GIADRO CCOCc1cc(C[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)ccc1OC ZINC000051188271 822749934 /nfs/dbraw/zinc/74/99/34/822749934.db2.gz MLYUUGTXQIJCOX-INIZCTEOSA-N 1 0 384.476 4.039 20 0 GIADRO CC[C@@H]([NH2+][C@H](C)Cc1c(C)nn(C)c1C)c1cc(Br)ccc1O ZINC000185213048 822749972 /nfs/dbraw/zinc/74/99/72/822749972.db2.gz BREGXADRQWTPOX-PIGZYNQJSA-N 1 0 380.330 4.177 20 0 GIADRO Cc1nc(NC(=O)N2CCC([NH+](C)C)CC2)sc1Cc1ccccc1Cl ZINC000455923249 822750192 /nfs/dbraw/zinc/75/01/92/822750192.db2.gz JCJKVBXPUAQLBX-UHFFFAOYSA-N 1 0 392.956 4.254 20 0 GIADRO COc1ccc([C@H](OC)[C@@H](C)NC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)cc1 ZINC000455925225 822750546 /nfs/dbraw/zinc/75/05/46/822750546.db2.gz MXQPJKQVMNDDQO-KBJGYGKASA-N 1 0 397.519 4.142 20 0 GIADRO CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2cccc(NC(=O)NCc3ccncc3)c2)C1(C)C ZINC000185225346 822751418 /nfs/dbraw/zinc/75/14/18/822751418.db2.gz NKYHFHDCLYJLMI-NHCUHLMSSA-N 1 0 396.535 4.085 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)c1 ZINC000455931819 822751772 /nfs/dbraw/zinc/75/17/72/822751772.db2.gz PUXVVCQZYKNVBV-LHSJRXKWSA-N 1 0 380.492 4.077 20 0 GIADRO CC(C)(C)OC(=O)NC[C@@H]([NH2+]Cc1coc(-c2ccc(F)c(F)c2)n1)C1CC1 ZINC000185226667 822751867 /nfs/dbraw/zinc/75/18/67/822751867.db2.gz MBBVWUCXCXTXFP-QGZVFWFLSA-N 1 0 393.434 4.013 20 0 GIADRO COc1ccccc1CN(C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)C1CC1 ZINC000455935125 822752673 /nfs/dbraw/zinc/75/26/73/822752673.db2.gz RIFCIPLARUKARW-NRFANRHFSA-N 1 0 379.504 4.441 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)N2CCC[C@H](C3CC3)C2)CC1 ZINC000455939737 822753619 /nfs/dbraw/zinc/75/36/19/822753619.db2.gz HDDPEHKYZUFHCH-INIZCTEOSA-N 1 0 391.943 4.467 20 0 GIADRO COc1ccc(C[C@H](C)C[N@H+](C)C2CCN(CCc3ccccn3)CC2)cc1F ZINC000185242661 822753695 /nfs/dbraw/zinc/75/36/95/822753695.db2.gz BGRSQQJLQKNYLQ-IBGZPJMESA-N 1 0 399.554 4.047 20 0 GIADRO CC[C@H]1[C@H](C)CCN1C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000455941145 822754036 /nfs/dbraw/zinc/75/40/36/822754036.db2.gz IWMCSOXVNVOJQE-KDOFPFPSSA-N 1 0 379.932 4.465 20 0 GIADRO CSC[C@H]1CCCN1C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000455944855 822755256 /nfs/dbraw/zinc/75/52/56/822755256.db2.gz NDRNLEKEWLJXCG-OAHLLOKOSA-N 1 0 397.972 4.172 20 0 GIADRO COc1cc(C)c([C@H](C)NC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)cc1OC ZINC000455945576 822755370 /nfs/dbraw/zinc/75/53/70/822755370.db2.gz WKINFMJNIBMMKO-YWZLYKJASA-N 1 0 397.519 4.444 20 0 GIADRO COC(C)(C)C[C@H](C)NC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000455945760 822755584 /nfs/dbraw/zinc/75/55/84/822755584.db2.gz OTTTUSJZGPUQIB-AWEZNQCLSA-N 1 0 397.947 4.138 20 0 GIADRO Cc1csc([C@@H]2CCCN(C(=O)Nc3ccc4c(c3)CC[C@H]4[NH+](C)C)C2)n1 ZINC000455947014 822755947 /nfs/dbraw/zinc/75/59/47/822755947.db2.gz XEZFAHCNNPXYQK-VQIMIIECSA-N 1 0 384.549 4.412 20 0 GIADRO CC(C)SCCNC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000455947712 822756237 /nfs/dbraw/zinc/75/62/37/822756237.db2.gz SGCJWBOQRPNFAN-UHFFFAOYSA-N 1 0 385.961 4.076 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)N2CC(C3CCC3)C2)CC1 ZINC000455950688 822756694 /nfs/dbraw/zinc/75/66/94/822756694.db2.gz YJERGJPLHYSWPB-UHFFFAOYSA-N 1 0 377.916 4.077 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)NCCc3nc(C(F)(F)F)cs3)ccc21 ZINC000455950468 822756705 /nfs/dbraw/zinc/75/67/05/822756705.db2.gz ZLBGZURTHKVUMC-AWEZNQCLSA-N 1 0 398.454 4.075 20 0 GIADRO C[N@@H+](Cc1ccc(Br)o1)C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000051351466 822757395 /nfs/dbraw/zinc/75/73/95/822757395.db2.gz NVJQZIGLKVIGCN-ZDUSSCGKSA-N 1 0 378.188 4.226 20 0 GIADRO O=C(Nc1ccc2cnccc2c1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000455964831 822758302 /nfs/dbraw/zinc/75/83/02/822758302.db2.gz ANAUFEOZAQOZLI-UHFFFAOYSA-N 1 0 388.515 4.407 20 0 GIADRO Fc1cc(C[NH2+][C@@H]2CCc3c2ccc(Cl)c3Cl)cnc1N1CCOCC1 ZINC000185278110 822758551 /nfs/dbraw/zinc/75/85/51/822758551.db2.gz GNZWKYPGOVMDTH-QGZVFWFLSA-N 1 0 396.293 4.141 20 0 GIADRO Fc1cc(C[NH2+][C@H](Cc2ccccc2)c2ccccc2)cnc1N1CCOCC1 ZINC000185279721 822758727 /nfs/dbraw/zinc/75/87/27/822758727.db2.gz XSXBWTADFJBSKQ-HSZRJFAPSA-N 1 0 391.490 4.131 20 0 GIADRO Cc1ncc(C[N@H+](C)C[C@@H](O)CO[C@H](c2ccccc2)c2ccc(C)cc2)s1 ZINC000051408088 822758808 /nfs/dbraw/zinc/75/88/08/822758808.db2.gz CIMDZJSEYZLYGP-FYYLOGMGSA-N 1 0 396.556 4.359 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cc(Cl)cc(Br)c2)C1 ZINC000455968485 822758864 /nfs/dbraw/zinc/75/88/64/822758864.db2.gz JYHPZWVRSZMKCN-GFCCVEGCSA-N 1 0 388.737 4.298 20 0 GIADRO CC(C)Sc1ccc([C@H](C)[NH2+]Cc2cnc(N3CCOCC3)c(F)c2)cc1 ZINC000185280115 822758873 /nfs/dbraw/zinc/75/88/73/822758873.db2.gz ITUWCFJNWDOQRO-INIZCTEOSA-N 1 0 389.540 4.409 20 0 GIADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000455975377 822760003 /nfs/dbraw/zinc/76/00/03/822760003.db2.gz UUPZFDQHROQUTE-NSHDSACASA-N 1 0 388.737 4.297 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)NCCSCc2cccc3ccccc32)CC[N@@H+]1C ZINC000174274479 822761103 /nfs/dbraw/zinc/76/11/03/822761103.db2.gz RVUGQYAAZWOOND-PXNSSMCTSA-N 1 0 385.577 4.197 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)N(C)C[C@H]2CCCO[C@@H]2c2ccccc2)o1 ZINC000051467827 822761231 /nfs/dbraw/zinc/76/12/31/822761231.db2.gz CBVYHLNDLRCQKW-DENIHFKCSA-N 1 0 384.520 4.361 20 0 GIADRO C[N@@H+](Cc1cnn(-c2ccccc2)c1)C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000051476271 822761694 /nfs/dbraw/zinc/76/16/94/822761694.db2.gz NVWGRZPEJGDWPY-IBGZPJMESA-N 1 0 375.394 4.057 20 0 GIADRO C[C@@H](c1ccc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1)C(F)(F)F ZINC000455987484 822762177 /nfs/dbraw/zinc/76/21/77/822762177.db2.gz CZWFMUBTNCCYEL-HNNXBMFYSA-N 1 0 391.437 4.394 20 0 GIADRO Cc1cccn2c(C[NH2+]Cc3cccc(NC(=O)c4cccc(F)c4)c3)cnc12 ZINC000174284427 822762993 /nfs/dbraw/zinc/76/29/93/822762993.db2.gz MGIVOPYXHOQYMD-UHFFFAOYSA-N 1 0 388.446 4.324 20 0 GIADRO CC(C)[NH+]1CCC(N[C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000174294312 822765244 /nfs/dbraw/zinc/76/52/44/822765244.db2.gz DZFDPKWYSGUCPQ-GFCCVEGCSA-N 1 0 391.865 4.148 20 0 GIADRO CS[C@@H]1CN(C(=O)c2ccc([C@@H](C)C(F)(F)F)cc2)C[C@H]1[NH+]1CCCC1 ZINC000456011748 822766180 /nfs/dbraw/zinc/76/61/80/822766180.db2.gz SENVIRBBNUFTRQ-KBRIMQKVSA-N 1 0 386.483 4.004 20 0 GIADRO C#CC[NH+]1CCC(C(=O)Nc2ccccc2NCc2ccc(Cl)cc2)CC1 ZINC000185345593 822769012 /nfs/dbraw/zinc/76/90/12/822769012.db2.gz WUPXWDHOLXVVMI-UHFFFAOYSA-N 1 0 381.907 4.236 20 0 GIADRO Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000174310968 822769128 /nfs/dbraw/zinc/76/91/28/822769128.db2.gz BMHHDDJYTMYUGH-KRWDZBQOSA-N 1 0 393.531 4.181 20 0 GIADRO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OCC(C)C)cc2)c2ccc(F)cc2C1 ZINC000185349909 822769580 /nfs/dbraw/zinc/76/95/80/822769580.db2.gz SIHXUPHBBBZLKA-HSZRJFAPSA-N 1 0 384.495 4.444 20 0 GIADRO COc1ccc(COCc2cccc(NC(=O)C3CC[NH+](C(C)C)CC3)c2)cc1 ZINC000174317389 822770049 /nfs/dbraw/zinc/77/00/49/822770049.db2.gz JRESYYJOJZATGL-UHFFFAOYSA-N 1 0 396.531 4.471 20 0 GIADRO COc1ccc(C[NH2+][C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1Cl ZINC000185359040 822771072 /nfs/dbraw/zinc/77/10/72/822771072.db2.gz ZHYOEQZQOQEXBW-LJQANCHMSA-N 1 0 376.859 4.071 20 0 GIADRO CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000051675950 822773258 /nfs/dbraw/zinc/77/32/58/822773258.db2.gz NNXAFOGSVMZIGP-NHCUHLMSSA-N 1 0 387.568 4.060 20 0 GIADRO C[C@@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)c1ccc(-c2ccncc2)cc1 ZINC000174340348 822774683 /nfs/dbraw/zinc/77/46/83/822774683.db2.gz IWBDSTKDUIBNLQ-AUSIDOKSSA-N 1 0 392.547 4.470 20 0 GIADRO O=C([C@@H]([NH2+]CCc1nc(C(F)(F)F)cs1)c1ccccc1)N1CCCCC1 ZINC000174342679 822775250 /nfs/dbraw/zinc/77/52/50/822775250.db2.gz USAOSYCYMCOPKM-KRWDZBQOSA-N 1 0 397.466 4.048 20 0 GIADRO Cc1ccc([C@@H]2OCCC[C@H]2C[NH2+][C@H](C(=O)NC2CC2)c2ccccc2)cc1 ZINC000174349234 822776248 /nfs/dbraw/zinc/77/62/48/822776248.db2.gz RVCHQEGKRZSYQZ-PMVMPFDFSA-N 1 0 378.516 4.072 20 0 GIADRO CC(F)(F)c1ccccc1NC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000456100276 822777547 /nfs/dbraw/zinc/77/75/47/822777547.db2.gz BWIYWFSATRRUES-UHFFFAOYSA-N 1 0 388.458 4.255 20 0 GIADRO COCc1cccc(CNC(=O)C[NH2+][C@H](Cc2ccccc2)c2ccccc2)c1 ZINC000051797579 822778824 /nfs/dbraw/zinc/77/88/24/822778824.db2.gz FEZMVPYJQIKAOU-XMMPIXPASA-N 1 0 388.511 4.023 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)cc1)C(=O)Nc1cc(Cl)ccc1F ZINC000174369731 822779387 /nfs/dbraw/zinc/77/93/87/822779387.db2.gz JTVNOCKGGHDECU-KBPBESRZSA-N 1 0 386.858 4.343 20 0 GIADRO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000174370443 822779409 /nfs/dbraw/zinc/77/94/09/822779409.db2.gz YJSXXOMPKUERJA-FHWLQOOXSA-N 1 0 376.504 4.097 20 0 GIADRO CSc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(-n3cccn3)cc2)cc1 ZINC000174374082 822780098 /nfs/dbraw/zinc/78/00/98/822780098.db2.gz ILCLCGTWKZRDCZ-HOTGVXAUSA-N 1 0 380.517 4.272 20 0 GIADRO CC[N@@H+](Cc1csc(-c2ccccn2)n1)CC1CCN(c2ccccn2)CC1 ZINC000174395556 822783718 /nfs/dbraw/zinc/78/37/18/822783718.db2.gz XWEAGVBFUZBKQN-UHFFFAOYSA-N 1 0 393.560 4.339 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)NCc2c(OC(C)C)ccc3ccccc32)C1 ZINC000185438597 822783927 /nfs/dbraw/zinc/78/39/27/822783927.db2.gz KFVAOCINSVHNFI-GOSISDBHSA-N 1 0 383.536 4.110 20 0 GIADRO COc1ccc(C[NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)cc1OC ZINC000174401865 822784920 /nfs/dbraw/zinc/78/49/20/822784920.db2.gz USSHCMDVOQPMAX-SFHVURJKSA-N 1 0 391.895 4.205 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 ZINC000456166247 822785741 /nfs/dbraw/zinc/78/57/41/822785741.db2.gz JEZDFVOCAJEAMW-UHFFFAOYSA-N 1 0 383.323 4.029 20 0 GIADRO Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)NC(C)(C)CCC[NH+](C)C ZINC000456168961 822785913 /nfs/dbraw/zinc/78/59/13/822785913.db2.gz MGFAQBVOBTWCHS-UHFFFAOYSA-N 1 0 381.492 4.247 20 0 GIADRO Cc1c2cccc(Br)c2oc1C(=O)NC(C)(C)CCC[NH+](C)C ZINC000456173751 822786398 /nfs/dbraw/zinc/78/63/98/822786398.db2.gz ROHXPBCMYCRNKG-UHFFFAOYSA-N 1 0 381.314 4.354 20 0 GIADRO Cc1cc([C@H]2CCC[N@@H+]2C[C@H](O)Cn2c3ccccc3c3ccccc32)on1 ZINC000052007812 822786507 /nfs/dbraw/zinc/78/65/07/822786507.db2.gz RKLMAGNTEJUGHC-HTAPYJJXSA-N 1 0 375.472 4.289 20 0 GIADRO C[C@H](CCNC(=O)c1ccc(-n2cc[nH]c2=S)cc1)[N@H+](C)Cc1ccccc1 ZINC000174418717 822787423 /nfs/dbraw/zinc/78/74/23/822787423.db2.gz ZQDHKSCVYDFPDL-QGZVFWFLSA-N 1 0 394.544 4.175 20 0 GIADRO C[C@H](CCNC(=O)c1cccnc1SC(F)F)[N@H+](C)Cc1ccccc1 ZINC000174418932 822787445 /nfs/dbraw/zinc/78/74/45/822787445.db2.gz PJSMTFHMLWEGPE-CQSZACIVSA-N 1 0 379.476 4.037 20 0 GIADRO O[C@H](C[NH2+]Cc1ccc(Oc2cnccn2)cc1)c1cccc(C(F)(F)F)c1 ZINC000174422365 822787836 /nfs/dbraw/zinc/78/78/36/822787836.db2.gz FYWCXLRTUICFQS-GOSISDBHSA-N 1 0 389.377 4.111 20 0 GIADRO O=C(Nc1ccccc1)c1ccc(C[NH+]2CCC(O)(c3ccccc3)CC2)cc1 ZINC000185469567 822787874 /nfs/dbraw/zinc/78/78/74/822787874.db2.gz ZLSYUBHWOHMBGD-UHFFFAOYSA-N 1 0 386.495 4.423 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1Oc1cccnc1 ZINC000052026161 822788177 /nfs/dbraw/zinc/78/81/77/822788177.db2.gz DWDRRRGOXWUTMP-UHFFFAOYSA-N 1 0 387.483 4.400 20 0 GIADRO Cc1ccc([C@H](CNC(=O)c2ccccc2Oc2cccnc2)[NH+](C)C)cc1 ZINC000052027436 822788308 /nfs/dbraw/zinc/78/83/08/822788308.db2.gz VSDGZDBNILCCBW-NRFANRHFSA-N 1 0 375.472 4.215 20 0 GIADRO COc1ccc(-c2noc(C[N@H+](C)CCCCc3ccccc3)n2)c(OC)c1 ZINC000052037745 822788863 /nfs/dbraw/zinc/78/88/63/822788863.db2.gz QCGUNLURAPFCBL-UHFFFAOYSA-N 1 0 381.476 4.209 20 0 GIADRO CC[NH+](CC)C1CCN(CC(=O)N[C@@H](c2cccs2)c2ccc(C)cc2)CC1 ZINC000052049717 822789005 /nfs/dbraw/zinc/78/90/05/822789005.db2.gz IBIQKDZYINEQMY-HSZRJFAPSA-N 1 0 399.604 4.068 20 0 GIADRO Cc1ccc(C)n1-c1nc(CC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)cs1 ZINC000456256565 822790730 /nfs/dbraw/zinc/79/07/30/822790730.db2.gz CPKSSPNMPJELSF-HXUWFJFHSA-N 1 0 394.544 4.281 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)c3cccc(OCC(F)(F)F)c3)ccc21 ZINC000456256579 822790734 /nfs/dbraw/zinc/79/07/34/822790734.db2.gz CQFMGJLVYPFKHN-GOSISDBHSA-N 1 0 378.394 4.429 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(OC)cc1OC ZINC000174448728 822791039 /nfs/dbraw/zinc/79/10/39/822791039.db2.gz XVVQDKONDMATPE-LJQANCHMSA-N 1 0 397.519 4.080 20 0 GIADRO COc1cccc(-c2c[nH]cc2C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)c1 ZINC000456264962 822791636 /nfs/dbraw/zinc/79/16/36/822791636.db2.gz HJMXQMUGEKPLPK-JOCHJYFZSA-N 1 0 375.472 4.492 20 0 GIADRO COc1ccc(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)cc1Br ZINC000456266094 822791835 /nfs/dbraw/zinc/79/18/35/822791835.db2.gz HUAKEBIWDWSRDQ-QGZVFWFLSA-N 1 0 389.293 4.259 20 0 GIADRO COc1cc(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)sc1Br ZINC000456266282 822791866 /nfs/dbraw/zinc/79/18/66/822791866.db2.gz IBEKKCWYHMBRFX-CYBMUJFWSA-N 1 0 395.322 4.320 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)C3(Cc4ccccc4)CCOCC3)ccc21 ZINC000456268410 822792158 /nfs/dbraw/zinc/79/21/58/822792158.db2.gz SHRRVTZFODVWBU-QFIPXVFZSA-N 1 0 378.516 4.214 20 0 GIADRO CN(C)[C@H](C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)c1c(F)cccc1Cl ZINC000456277472 822793060 /nfs/dbraw/zinc/79/30/60/822793060.db2.gz OKFLOKZYOIBMAD-ICSRJNTNSA-N 1 0 389.902 4.269 20 0 GIADRO Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[NH2+]CCCOC1CCOCC1 ZINC000174463330 822793635 /nfs/dbraw/zinc/79/36/35/822793635.db2.gz AVTQPYBMXJLPHT-UHFFFAOYSA-N 1 0 391.943 4.126 20 0 GIADRO CC(=O)N[C@@H](CC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)c1ccc(Cl)cc1 ZINC000456283510 822794027 /nfs/dbraw/zinc/79/40/27/822794027.db2.gz STGNPULSCRICAS-LEWJYISDSA-N 1 0 399.922 4.095 20 0 GIADRO Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc4c(c3)CC[C@@H]4[NH+](C)C)cc2)n1 ZINC000456284749 822794243 /nfs/dbraw/zinc/79/42/43/822794243.db2.gz UFPFFBCFZHVJCQ-QHCPKHFHSA-N 1 0 388.515 4.349 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccccc2OCc2ccc(Cl)cc2)C1 ZINC000174473532 822794757 /nfs/dbraw/zinc/79/47/57/822794757.db2.gz FJNRJCYXCNFGBV-SFHVURJKSA-N 1 0 386.923 4.333 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)Cc3coc(-c4ccc(F)cc4)n3)ccc21 ZINC000456291104 822794965 /nfs/dbraw/zinc/79/49/65/822794965.db2.gz YSIYDUNZNLHSSC-HXUWFJFHSA-N 1 0 379.435 4.211 20 0 GIADRO CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000456292756 822795093 /nfs/dbraw/zinc/79/50/93/822795093.db2.gz ZVFLUSWEGVJWFR-HXUWFJFHSA-N 1 0 390.487 4.072 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1c(Cl)cccc1C(F)(F)F)[C@H]1COc2ccccc21 ZINC000185543176 822795078 /nfs/dbraw/zinc/79/50/78/822795078.db2.gz FRKCBFWMDPULTF-WCQYABFASA-N 1 0 398.812 4.452 20 0 GIADRO COc1ccc(-c2nc(C[NH2+][C@@H](C)[C@@H]3COc4ccccc43)cs2)c(OC)c1 ZINC000185546004 822795364 /nfs/dbraw/zinc/79/53/64/822795364.db2.gz VIMCRUSUAKJLBZ-LIRRHRJNSA-N 1 0 396.512 4.482 20 0 GIADRO O=C(Nc1c(F)cccc1NC1CC1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000174497218 822797123 /nfs/dbraw/zinc/79/71/23/822797123.db2.gz UUBGPKYYGQCPMW-MRXNPFEDSA-N 1 0 385.458 4.390 20 0 GIADRO CCCCOc1c(Cl)cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OCC ZINC000456317288 822797854 /nfs/dbraw/zinc/79/78/54/822797854.db2.gz TVRSXZXWWGSIFU-ALOPSCKCSA-N 1 0 394.943 4.273 20 0 GIADRO C[C@@H]1CN(C(=O)c2ccc([C@H]3CCCOC3)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000456328958 822798980 /nfs/dbraw/zinc/79/89/80/822798980.db2.gz IHXXYTXCBUOMQY-RDPSFJRHSA-N 1 0 392.543 4.175 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2sc(-c3ccco3)nc2-c2ccccc2)C1 ZINC000174509954 822799074 /nfs/dbraw/zinc/79/90/74/822799074.db2.gz LWXJEHZQGJLTJM-MRXNPFEDSA-N 1 0 395.528 4.484 20 0 GIADRO COc1ccc([C@@H]2CCCN2C(=O)C[N@@H+]2CCC[C@@H]2c2ccccc2)c(OC)c1 ZINC000052431942 822799427 /nfs/dbraw/zinc/79/94/27/822799427.db2.gz OQXIBCZIPWPNQU-YADHBBJMSA-N 1 0 394.515 4.204 20 0 GIADRO CC(C)Cn1cc(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)c(C(F)F)n1 ZINC000456338286 822800018 /nfs/dbraw/zinc/80/00/18/822800018.db2.gz XEKVBQZOBWBPIH-QGZVFWFLSA-N 1 0 376.451 4.278 20 0 GIADRO CCCOc1ccc(-c2nc(C(=O)N3CC[C@H](C[N@H+](C)CC)C3)cs2)cc1 ZINC000174521829 822800344 /nfs/dbraw/zinc/80/03/44/822800344.db2.gz JCKDKIPVNIVIKW-MRXNPFEDSA-N 1 0 387.549 4.013 20 0 GIADRO C[C@@H]1CN(C(=O)CCc2cnc3ccccc3c2)CC[N@H+](Cc2ccccc2)C1 ZINC000456350521 822801203 /nfs/dbraw/zinc/80/12/03/822801203.db2.gz WGVUNAMJQILJKX-FQEVSTJZSA-N 1 0 387.527 4.148 20 0 GIADRO CCC(CC)n1ncc(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)c1C ZINC000456351844 822801234 /nfs/dbraw/zinc/80/12/34/822801234.db2.gz XCSZHAROFBWVLP-GOSISDBHSA-N 1 0 382.552 4.147 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1nnc(-c2ccsc2)s1 ZINC000052496142 822801620 /nfs/dbraw/zinc/80/16/20/822801620.db2.gz KPEIIBFYWQSNGC-ZDUSSCGKSA-N 1 0 379.555 4.043 20 0 GIADRO COc1cc(C[NH2+]C[C@@](C)(O)c2ccco2)ccc1OCc1ccc(F)cc1 ZINC000174530098 822801759 /nfs/dbraw/zinc/80/17/59/822801759.db2.gz YHHKPQQGNXIDIB-JOCHJYFZSA-N 1 0 385.435 4.004 20 0 GIADRO C[C@@H](CNC(=O)N(CCc1ccccc1)Cc1cccnc1)[N@@H+]1CCCC[C@@H]1C ZINC000052524677 822802709 /nfs/dbraw/zinc/80/27/09/822802709.db2.gz KYKDTHWYXFYLNE-SFTDATJTSA-N 1 0 394.563 4.099 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)C1 ZINC000174537448 822802731 /nfs/dbraw/zinc/80/27/31/822802731.db2.gz OYQQEAMSVUGHIX-INIZCTEOSA-N 1 0 399.922 4.006 20 0 GIADRO COc1cc(C[N@H+](C)CCC(=O)Nc2c(Cl)cccc2Cl)ccc1O ZINC000174540537 822802943 /nfs/dbraw/zinc/80/29/43/822802943.db2.gz MMGFNNRQTGZCNW-UHFFFAOYSA-N 1 0 383.275 4.168 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@H](C)C(=O)Nc1cccc(C)c1C ZINC000185620062 822803091 /nfs/dbraw/zinc/80/30/91/822803091.db2.gz QXYBLJINFJONKK-DZGCQCFKSA-N 1 0 396.457 4.357 20 0 GIADRO CCN(Cc1ccccc1)c1ccc(C(=O)N2CC[C@H](C[N@H+](C)CC)C2)cc1 ZINC000174542630 822803114 /nfs/dbraw/zinc/80/31/14/822803114.db2.gz FFCSQGWVOOXLFI-OAQYLSRUSA-N 1 0 379.548 4.127 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2csc(-c3ccc(OC(C)C)cc3)n2)C1 ZINC000174542679 822803148 /nfs/dbraw/zinc/80/31/48/822803148.db2.gz SHJQYQWQFZVWCP-INIZCTEOSA-N 1 0 387.549 4.011 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1ccc(C)c(C)c1 ZINC000185620165 822803141 /nfs/dbraw/zinc/80/31/41/822803141.db2.gz ADEJSNJAJMZHSJ-UKRRQHHQSA-N 1 0 396.457 4.357 20 0 GIADRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000052554540 822803475 /nfs/dbraw/zinc/80/34/75/822803475.db2.gz QDZNNNDUGLIVNJ-BJMVGYQFSA-N 1 0 399.878 4.042 20 0 GIADRO C[C@H](c1cc2ccccc2o1)N(C)C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000174547558 822803536 /nfs/dbraw/zinc/80/35/36/822803536.db2.gz UZZBUELYAWYTNT-GOSISDBHSA-N 1 0 391.515 4.013 20 0 GIADRO O=C(c1csc(-c2c(F)cccc2F)n1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174553448 822804450 /nfs/dbraw/zinc/80/44/50/822804450.db2.gz UXCYRXJOPNCBET-CQSZACIVSA-N 1 0 391.487 4.036 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]Cc1cncc(Br)c1 ZINC000185640223 822805499 /nfs/dbraw/zinc/80/54/99/822805499.db2.gz UOBKQQGBWRAOFR-VIFPVBQESA-N 1 0 391.235 4.071 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]Cc1cncc(Br)c1 ZINC000185640206 822805628 /nfs/dbraw/zinc/80/56/28/822805628.db2.gz UOBKQQGBWRAOFR-SECBINFHSA-N 1 0 391.235 4.071 20 0 GIADRO CSC1(C[NH2+]Cc2csc(COc3ccc(C)cc3)n2)CCOCC1 ZINC000174564050 822805600 /nfs/dbraw/zinc/80/56/00/822805600.db2.gz GHVBMQCVRKDYTE-UHFFFAOYSA-N 1 0 378.563 4.032 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@H](C)C(=O)Nc1cc(C)ccc1C ZINC000185641740 822805841 /nfs/dbraw/zinc/80/58/41/822805841.db2.gz KLPJPXHZSLOPDR-DZGCQCFKSA-N 1 0 396.457 4.357 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1c(C)cccc1C ZINC000185646594 822806322 /nfs/dbraw/zinc/80/63/22/822806322.db2.gz QFEPOGYOEAXEPQ-UKRRQHHQSA-N 1 0 396.457 4.357 20 0 GIADRO COc1ccc(-c2ccc(C[NH2+]Cc3cn(C)nc3-c3ccncc3)cc2)cc1 ZINC000174575721 822807010 /nfs/dbraw/zinc/80/70/10/822807010.db2.gz JSVJCMRIAIZGEC-UHFFFAOYSA-N 1 0 384.483 4.448 20 0 GIADRO COC(=O)COc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(Br)cc2)cc1 ZINC000185657727 822807566 /nfs/dbraw/zinc/80/75/66/822807566.db2.gz UERPBCGPCHHNFI-KGLIPLIRSA-N 1 0 392.293 4.413 20 0 GIADRO C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3c(Cl)ccc4cccnc43)CC2)C1 ZINC000052703188 822807660 /nfs/dbraw/zinc/80/76/60/822807660.db2.gz ZONBXPRVWGDKBK-INIZCTEOSA-N 1 0 385.939 4.359 20 0 GIADRO COc1ccc([C@@H](CNC(=O)Nc2ccc(SC)cc2)[NH+]2CCCC2)cc1 ZINC000052711728 822808104 /nfs/dbraw/zinc/80/81/04/822808104.db2.gz CZJAVAVDCGEYNE-HXUWFJFHSA-N 1 0 385.533 4.376 20 0 GIADRO CCOCCOc1ccc(Cl)cc1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000174585009 822808405 /nfs/dbraw/zinc/80/84/05/822808405.db2.gz MGIJVCMOVCPZSQ-UHFFFAOYSA-N 1 0 376.884 4.069 20 0 GIADRO C[C@H](NCC(=O)Nc1ccccc1SC(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185674168 822808866 /nfs/dbraw/zinc/80/88/66/822808866.db2.gz MPUZWJCWVAVYNI-LSDHHAIUSA-N 1 0 397.535 4.182 20 0 GIADRO CCn1c2ccccc2c2cc(NC(=O)C[N@H+](C[C@H]3CCOC3)C3CC3)ccc21 ZINC000052752944 822809740 /nfs/dbraw/zinc/80/97/40/822809740.db2.gz STKCKGOPXMDXIB-QGZVFWFLSA-N 1 0 391.515 4.254 20 0 GIADRO CCCOc1c(C[NH2+]C2CCC(O)(c3cccnc3)CC2)cccc1OCC ZINC000185691257 822810540 /nfs/dbraw/zinc/81/05/40/822810540.db2.gz LBWCDCRUHPNEGY-UHFFFAOYSA-N 1 0 384.520 4.189 20 0 GIADRO CCCCOc1cc(C[NH2+]C2CCC(O)(c3cccnc3)CC2)ccc1OC ZINC000185693814 822810714 /nfs/dbraw/zinc/81/07/14/822810714.db2.gz VBDNNRPDFDHPII-UHFFFAOYSA-N 1 0 384.520 4.189 20 0 GIADRO CC(C)Cc1ccc(C(=O)C2CC[NH+](CCC(=O)N3CCCCC3)CC2)cc1 ZINC000052802328 822810934 /nfs/dbraw/zinc/81/09/34/822810934.db2.gz BOLXOTVZBCULGD-UHFFFAOYSA-N 1 0 384.564 4.182 20 0 GIADRO CCOc1cc(C[NH2+]C2CCC(O)(c3cccnc3)CC2)ccc1OC(F)F ZINC000185696321 822810990 /nfs/dbraw/zinc/81/09/90/822810990.db2.gz KNDRWRSWWDQUTC-UHFFFAOYSA-N 1 0 392.446 4.002 20 0 GIADRO OC1(c2cccnc2)CCC([NH2+]Cc2ccc(Cl)c(Br)c2)CC1 ZINC000185698741 822811456 /nfs/dbraw/zinc/81/14/56/822811456.db2.gz RCCQNLWZIOLDLX-UHFFFAOYSA-N 1 0 395.728 4.418 20 0 GIADRO O=C(NCCCCC[NH+]1CCCCC1)N1Cc2cccc(Br)c2C1 ZINC000185701966 822811696 /nfs/dbraw/zinc/81/16/96/822811696.db2.gz BVOXCUVPWBRQQN-UHFFFAOYSA-N 1 0 394.357 4.131 20 0 GIADRO Cc1ccc2[nH]cc(CCC(=O)NCc3ccc(OCCC[NH+](C)C)cc3)c2c1 ZINC000174610014 822812075 /nfs/dbraw/zinc/81/20/75/822812075.db2.gz AMVBIMOOJCQMQW-UHFFFAOYSA-N 1 0 393.531 4.056 20 0 GIADRO Cc1noc([C@H]2CCC[N@H+](Cc3cc(Cl)ccc3OCc3cccnc3)C2)n1 ZINC000052863040 822813157 /nfs/dbraw/zinc/81/31/57/822813157.db2.gz LILRJVJXUBDXIU-KRWDZBQOSA-N 1 0 398.894 4.385 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)N3C[C@@H](C)[C@@H]3c3ccccc3)c2)CC1 ZINC000185714527 822813338 /nfs/dbraw/zinc/81/33/38/822813338.db2.gz GWRNAPKGMVKEMQ-XMSQKQJNSA-N 1 0 378.520 4.053 20 0 GIADRO O=C(N[C@@H]1CCO[C@@H](c2cccs2)C1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000456543349 822814526 /nfs/dbraw/zinc/81/45/26/822814526.db2.gz PXBZQZRLESQIOX-HSALFYBXSA-N 1 0 384.545 4.139 20 0 GIADRO CC[C@H](C)[NH+]1CCN(C(=O)c2ccccc2SCc2c(C)noc2C)CC1 ZINC000456543445 822814537 /nfs/dbraw/zinc/81/45/37/822814537.db2.gz FQAMETKXXLRHMX-HNNXBMFYSA-N 1 0 387.549 4.140 20 0 GIADRO C[C@@H](NCc1coc(-c2c(F)cccc2F)n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185730394 822815551 /nfs/dbraw/zinc/81/55/51/822815551.db2.gz MPHPEQOEGVBOMZ-CABCVRRESA-N 1 0 375.463 4.362 20 0 GIADRO CC[C@H](C)[NH+]1CCN(C(=O)c2ccccc2SCc2csc(C)n2)CC1 ZINC000456561740 822816130 /nfs/dbraw/zinc/81/61/30/822816130.db2.gz UXEDEOIMPQHRIL-HNNXBMFYSA-N 1 0 389.590 4.300 20 0 GIADRO COc1ccc(C[NH2+]C2(c3cccc(F)c3)CCOCC2)cc1OC(F)F ZINC000174647648 822817238 /nfs/dbraw/zinc/81/72/38/822817238.db2.gz QUNFNQDUPPAEKM-UHFFFAOYSA-N 1 0 381.394 4.231 20 0 GIADRO C[C@H](NCC(=O)Nc1cc(Cl)ccc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185751766 822817627 /nfs/dbraw/zinc/81/76/27/822817627.db2.gz PFBSRMFQWRTWGM-KBPBESRZSA-N 1 0 384.351 4.175 20 0 GIADRO C[C@@H](NCc1coc(-c2ccc(F)c(F)c2)n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185750261 822817759 /nfs/dbraw/zinc/81/77/59/822817759.db2.gz PPMYLQFPSJIPRQ-ZBFHGGJFSA-N 1 0 375.463 4.362 20 0 GIADRO CC(C)CCNC(=O)[C@H](C)[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000052993742 822817930 /nfs/dbraw/zinc/81/79/30/822817930.db2.gz RBIBWGALZYLYQR-AWEZNQCLSA-N 1 0 377.916 4.211 20 0 GIADRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000185757384 822818214 /nfs/dbraw/zinc/81/82/14/822818214.db2.gz LQXBUDJFIYULLU-FOCLMDBBSA-N 1 0 394.475 4.143 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000174653556 822818347 /nfs/dbraw/zinc/81/83/47/822818347.db2.gz MTBMNUSQICACMK-INIZCTEOSA-N 1 0 397.485 4.110 20 0 GIADRO Cc1c(Cl)cccc1NC(=O)[C@H](C)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185760676 822818562 /nfs/dbraw/zinc/81/85/62/822818562.db2.gz SWTVPMWYHVDQRO-IXDOHACOSA-N 1 0 377.960 4.218 20 0 GIADRO C[NH+](C)C1(CNC(=O)C2(c3cccc(Cl)c3)CCOCC2)CCCCCC1 ZINC000053029418 822819341 /nfs/dbraw/zinc/81/93/41/822819341.db2.gz WIMRKVRZQWVSJE-UHFFFAOYSA-N 1 0 392.971 4.159 20 0 GIADRO CC(C)[NH+]1CCC(C(=O)NCCc2ccc(OCc3ccccc3)cc2)CC1 ZINC000174662309 822820296 /nfs/dbraw/zinc/82/02/96/822820296.db2.gz XGVLXGWQFIZIHH-UHFFFAOYSA-N 1 0 380.532 4.045 20 0 GIADRO Cc1cccn2c(=O)cc(C[N@H+](Cc3ccccc3C(F)(F)F)C3CC3)nc12 ZINC000053109254 822822059 /nfs/dbraw/zinc/82/20/59/822822059.db2.gz CMGKZLGBKRTHNL-UHFFFAOYSA-N 1 0 387.405 4.186 20 0 GIADRO C[N@H+](Cc1nnc(-c2ccccc2Cl)o1)[C@H]1CCCN(c2ccccc2)C1 ZINC000174677706 822822149 /nfs/dbraw/zinc/82/21/49/822822149.db2.gz UKXUTCUGKRKACW-KRWDZBQOSA-N 1 0 382.895 4.491 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@H+](C1CC1)C1CCC(C)CC1 ZINC000053170374 822824330 /nfs/dbraw/zinc/82/43/30/822824330.db2.gz KWSYNPMPMGFGEC-UHFFFAOYSA-N 1 0 380.536 4.471 20 0 GIADRO Cc1cccn2c(=O)cc(C[NH2+][C@@H](C)[C@@H](C)c3ccccc3C(F)(F)F)nc12 ZINC000185823840 822824587 /nfs/dbraw/zinc/82/45/87/822824587.db2.gz BSDMWBQFYARCQG-CABCVRRESA-N 1 0 389.421 4.304 20 0 GIADRO Cc1cccn2c(=O)cc(C[NH2+][C@H](C)[C@H](C)c3ccccc3C(F)(F)F)nc12 ZINC000185823898 822824603 /nfs/dbraw/zinc/82/46/03/822824603.db2.gz BSDMWBQFYARCQG-LSDHHAIUSA-N 1 0 389.421 4.304 20 0 GIADRO C[C@H](c1ccccc1C(F)(F)F)[C@H](C)[NH2+]Cc1csc(CC(=O)N(C)C)n1 ZINC000185833176 822825541 /nfs/dbraw/zinc/82/55/41/822825541.db2.gz OISBWFNSICYCAS-STQMWFEESA-N 1 0 399.482 4.074 20 0 GIADRO CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000456719098 822826613 /nfs/dbraw/zinc/82/66/13/822826613.db2.gz DDXMQWGXHFABCW-INIZCTEOSA-N 1 0 382.470 4.407 20 0 GIADRO CC(C)[NH+]1CCC(C(=O)N2CCC[C@H]2c2cccc(Br)c2)CC1 ZINC000174709496 822826744 /nfs/dbraw/zinc/82/67/44/822826744.db2.gz YOWNNSGUUTWCRK-SFHVURJKSA-N 1 0 379.342 4.233 20 0 GIADRO Cc1cc(F)cc2[nH]c(C(=O)Nc3ccc(C)c(NC(=O)CC[NH+](C)C)c3)cc21 ZINC000185847363 822827013 /nfs/dbraw/zinc/82/70/13/822827013.db2.gz NQLYSUDYZIRODR-UHFFFAOYSA-N 1 0 396.466 4.066 20 0 GIADRO Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N(CC(C)C)C1CC[NH+](C)CC1 ZINC000053231164 822827059 /nfs/dbraw/zinc/82/70/59/822827059.db2.gz KZFJIILVGOGFJK-UHFFFAOYSA-N 1 0 393.597 4.234 20 0 GIADRO Cc1ccc(CCN(Cc2ccco2)C(=O)NCCC2CC[NH+](C)CC2)cc1 ZINC000174713948 822827488 /nfs/dbraw/zinc/82/74/88/822827488.db2.gz XUNXVGAKDNIWIZ-UHFFFAOYSA-N 1 0 383.536 4.074 20 0 GIADRO CC(C)[NH+]1CCC(C(=O)Nc2cccc(C[S@@](=O)Cc3ccccc3)c2)CC1 ZINC000174728505 822829304 /nfs/dbraw/zinc/82/93/04/822829304.db2.gz MUNNGISRLVOUOD-NDEPHWFRSA-N 1 0 398.572 4.194 20 0 GIADRO CCC1(C(=O)Nc2ccc(NC(=O)NC3CC[NH+](C)CC3)cc2)CCCCC1 ZINC000185882643 822829890 /nfs/dbraw/zinc/82/98/90/822829890.db2.gz KRGYQEGSPSLQMT-UHFFFAOYSA-N 1 0 386.540 4.201 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)c2ccc(F)cc2F)CC1 ZINC000456784373 822830649 /nfs/dbraw/zinc/83/06/49/822830649.db2.gz MYPSQGTZITZHAL-UHFFFAOYSA-N 1 0 380.822 4.344 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)c2cc(Cl)ccn2)CC1 ZINC000456788415 822830913 /nfs/dbraw/zinc/83/09/13/822830913.db2.gz SIRTTYLNVYPZNU-UHFFFAOYSA-N 1 0 380.275 4.114 20 0 GIADRO CC[C@@H](NC(=O)NC[C@H](C(C)C)[NH+]1CCCC1)c1nc(C(F)(F)F)cs1 ZINC000174740224 822831003 /nfs/dbraw/zinc/83/10/03/822831003.db2.gz ADXRWEPYMUQNAZ-CHWSQXEVSA-N 1 0 392.491 4.033 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)Cn2ccc3ccccc32)CC1 ZINC000456788573 822830993 /nfs/dbraw/zinc/83/09/93/822830993.db2.gz IDWTXIZYXMDYEL-UHFFFAOYSA-N 1 0 397.906 4.406 20 0 GIADRO Cc1cc(CSc2ccccc2C(=O)NCC[N@@H+](C)Cc2ccccc2)on1 ZINC000053349500 822831225 /nfs/dbraw/zinc/83/12/25/822831225.db2.gz PDQSKDBEGQEPKT-UHFFFAOYSA-N 1 0 395.528 4.137 20 0 GIADRO CO[C@@H](CNC(=O)c1oc2ccccc2c1C[NH+](C)C)c1cccc(Cl)c1 ZINC000174753530 822832661 /nfs/dbraw/zinc/83/26/61/822832661.db2.gz ZSTYGXAPURMREX-IBGZPJMESA-N 1 0 386.879 4.265 20 0 GIADRO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000053399410 822832999 /nfs/dbraw/zinc/83/29/99/822832999.db2.gz SEOHIFSMEJUDST-GOEBONIOSA-N 1 0 382.323 4.087 20 0 GIADRO O=C(Nc1cccc(-c2cc[nH]n2)c1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000185915538 822833052 /nfs/dbraw/zinc/83/30/52/822833052.db2.gz UTAGEMMWMHONSH-SFHVURJKSA-N 1 0 381.524 4.197 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2c[nH]c(=S)n2-c2ccccc2)C1 ZINC000053417449 822833893 /nfs/dbraw/zinc/83/38/93/822833893.db2.gz BDLPSCKPBBLYKA-CALCHBBNSA-N 1 0 386.565 4.023 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2cccc(NC(=O)c3ccco3)c2)C1 ZINC000053417548 822834006 /nfs/dbraw/zinc/83/40/06/822834006.db2.gz NZFMMZMPZJSEQM-HDICACEKSA-N 1 0 397.519 4.020 20 0 GIADRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)C[C@H](C)C(=O)c2cccc(F)c2)c1 ZINC000174767912 822834529 /nfs/dbraw/zinc/83/45/29/822834529.db2.gz RIXBYYWKRNNCEZ-KRWDZBQOSA-N 1 0 384.495 4.191 20 0 GIADRO CC(C)CC(=O)Nc1ccc(NC(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C(C)C)cc1 ZINC000174769766 822834831 /nfs/dbraw/zinc/83/48/31/822834831.db2.gz PUBNJFYMBAKNMT-VQTJNVASSA-N 1 0 386.540 4.150 20 0 GIADRO Cc1cc(NC(=O)c2cc(Cl)sc2Cl)ccc1N1CC[NH+](C)CC1 ZINC000053474351 822836820 /nfs/dbraw/zinc/83/68/20/822836820.db2.gz YZAMPJSCBZLDHL-UHFFFAOYSA-N 1 0 384.332 4.367 20 0 GIADRO Cc1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c(OCC(F)(F)F)c1 ZINC000174793043 822837653 /nfs/dbraw/zinc/83/76/53/822837653.db2.gz PRCLFNKCTHVLNF-CVEARBPZSA-N 1 0 399.457 4.415 20 0 GIADRO CSc1ccc(Cl)cc1NC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000174795730 822837999 /nfs/dbraw/zinc/83/79/99/822837999.db2.gz DZVVSEDOOUQEOL-UHFFFAOYSA-N 1 0 397.972 4.171 20 0 GIADRO Cc1cc(Oc2ncccn2)ccc1NC(=O)N1CC[C@@H]2CC[C@H](C1)[N@@H+]2C(C)C ZINC000174796586 822838138 /nfs/dbraw/zinc/83/81/38/822838138.db2.gz XTONGOCSRBJZAB-ZWKOTPCHSA-N 1 0 395.507 4.056 20 0 GIADRO CC(=O)Nc1cc(C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)ccc1F ZINC000053513369 822838143 /nfs/dbraw/zinc/83/81/43/822838143.db2.gz RBGZZXBSCGNINX-MRXNPFEDSA-N 1 0 397.494 4.089 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1ccc(Cl)s1 ZINC000174799685 822838753 /nfs/dbraw/zinc/83/87/53/822838753.db2.gz XLMQIZREEJJKSC-INIZCTEOSA-N 1 0 377.941 4.065 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](c2ccccc2)c2ccccc2OC)C1 ZINC000174801121 822839018 /nfs/dbraw/zinc/83/90/18/822839018.db2.gz YKVKCWMNUZSSBO-CVDCTZTESA-N 1 0 395.547 4.158 20 0 GIADRO C[C@@H](NC(=O)NC[C@@H](c1cccs1)[NH+](C)C)c1ccc(Br)cc1 ZINC000053528698 822839246 /nfs/dbraw/zinc/83/92/46/822839246.db2.gz QCPDVWYSIQDFJJ-DOMZBBRYSA-N 1 0 396.354 4.174 20 0 GIADRO CC(C)c1csc([C@@H]2CCCN(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)C2)n1 ZINC000174804683 822839585 /nfs/dbraw/zinc/83/95/85/822839585.db2.gz GFVJRNDAAGPZQB-OAHLLOKOSA-N 1 0 392.613 4.465 20 0 GIADRO Cc1c(Br)cccc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000174804798 822839633 /nfs/dbraw/zinc/83/96/33/822839633.db2.gz PWYLWJJKEFNPLS-CABCVRRESA-N 1 0 380.330 4.237 20 0 GIADRO CN(Cc1ccc(Cl)s1)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000053547630 822840294 /nfs/dbraw/zinc/84/02/94/822840294.db2.gz VSPSYPBLHFCGLJ-KRWDZBQOSA-N 1 0 377.941 4.380 20 0 GIADRO CN(Cc1nc2ccccc2s1)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000053547694 822840345 /nfs/dbraw/zinc/84/03/45/822840345.db2.gz RFUBWYVYZCVUMV-IBGZPJMESA-N 1 0 394.544 4.275 20 0 GIADRO COc1cccc([C@@H](CNC(=O)N(C)Cc2sccc2C)[NH+]2CCCC2)c1 ZINC000053553065 822840569 /nfs/dbraw/zinc/84/05/69/822840569.db2.gz LIHWZQBFVWYSCM-LJQANCHMSA-N 1 0 387.549 4.044 20 0 GIADRO c1coc([C@@H](CNc2ccc3nnc(-c4ccccc4)n3n2)[NH+]2CCCCC2)c1 ZINC000053549853 822840601 /nfs/dbraw/zinc/84/06/01/822840601.db2.gz HXDRZVKEDYNDRU-GOSISDBHSA-N 1 0 388.475 4.023 20 0 GIADRO Cc1nc2ccc(NC(=O)NC[C@@H]3CCC[N@@H+](C)[C@@H]3c3cccs3)cc2o1 ZINC000174810893 822840691 /nfs/dbraw/zinc/84/06/91/822840691.db2.gz OHIMENBNKXEZBH-LIRRHRJNSA-N 1 0 384.505 4.402 20 0 GIADRO COc1cc(Br)c(C[NH2+][C@@H](C)c2cc(F)ccc2O)cc1OC ZINC000185985094 822841163 /nfs/dbraw/zinc/84/11/63/822841163.db2.gz ZOBSQGWVNAFWHI-JTQLQIEISA-N 1 0 384.245 4.162 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)c2cc(COC(C)(C)C)on2)CC[N@@H+]1Cc1ccccc1 ZINC000185987911 822841471 /nfs/dbraw/zinc/84/14/71/822841471.db2.gz UCMYZDZFEKZFBT-HKUYNNGSSA-N 1 0 399.535 4.115 20 0 GIADRO CC[NH+](CC)CCN(C(=O)Cc1c(C)noc1C)c1cccc(C(F)(F)F)c1 ZINC000185990644 822841550 /nfs/dbraw/zinc/84/15/50/822841550.db2.gz IZCZHVQWSDGRKY-UHFFFAOYSA-N 1 0 397.441 4.228 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)N(Cc1ccco1)Cc1cccs1)Cc1ccccc1 ZINC000053602790 822842295 /nfs/dbraw/zinc/84/22/95/822842295.db2.gz KCKUCXORKWMYSJ-LJQANCHMSA-N 1 0 397.544 4.226 20 0 GIADRO COC(=O)CC[C@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)c1ccccc1 ZINC000185998801 822842394 /nfs/dbraw/zinc/84/23/94/822842394.db2.gz RFJONQYATVPXIK-GUYCJALGSA-N 1 0 392.293 4.500 20 0 GIADRO Cc1noc(C2CC[NH+](Cc3cccc(C(=O)Nc4ccccc4)c3)CC2)n1 ZINC000053618158 822842871 /nfs/dbraw/zinc/84/28/71/822842871.db2.gz PXFJECKHZQYORI-UHFFFAOYSA-N 1 0 376.460 4.010 20 0 GIADRO CC1CC[NH+](Cc2ccc(NC(=O)C3CCN(CC(F)(F)F)CC3)cc2)CC1 ZINC000053619139 822843048 /nfs/dbraw/zinc/84/30/48/822843048.db2.gz ZANKEVSASRNPGD-UHFFFAOYSA-N 1 0 397.485 4.131 20 0 GIADRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)N(C)CCC[NH+](C)C ZINC000186033981 822845704 /nfs/dbraw/zinc/84/57/04/822845704.db2.gz OZOKQXSGGLIDTE-AWEZNQCLSA-N 1 0 394.972 4.426 20 0 GIADRO CC(=O)Nc1ccc2c(C[N@@H+]3CCC[C@@H]3c3cccc(F)c3)cc(=O)oc2c1 ZINC000053717991 822845844 /nfs/dbraw/zinc/84/58/44/822845844.db2.gz FGIFYVCMLVFBPK-HXUWFJFHSA-N 1 0 380.419 4.228 20 0 GIADRO C[C@@H]([NH2+]CCc1nc2c(cccc2F)n1C)c1ccc(Br)cc1O ZINC000186039332 822846236 /nfs/dbraw/zinc/84/62/36/822846236.db2.gz ZXRMHHPBQOPIAF-LLVKDONJSA-N 1 0 392.272 4.074 20 0 GIADRO COc1ccc([C@H](NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2)c2ccco2)cc1 ZINC000457014138 822846281 /nfs/dbraw/zinc/84/62/81/822846281.db2.gz WOLWVMCYCHQDEN-VGSWGCGISA-N 1 0 378.472 4.014 20 0 GIADRO O=S1(=O)CCCN1c1ccc(C[NH2+][C@H](c2cccs2)C2CCCC2)cc1 ZINC000186042123 822846581 /nfs/dbraw/zinc/84/65/81/822846581.db2.gz VPRLKSTZRVWZBU-FQEVSTJZSA-N 1 0 390.574 4.309 20 0 GIADRO CC[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)c1nc(C(F)(F)F)cs1 ZINC000174855906 822846999 /nfs/dbraw/zinc/84/69/99/822846999.db2.gz YAOVCMDYECXZTI-JSGCOSHPSA-N 1 0 377.476 4.240 20 0 GIADRO Cc1oc(C)c(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)c1C ZINC000053795012 822848351 /nfs/dbraw/zinc/84/83/51/822848351.db2.gz WJDBLTWZTOKVCD-UHFFFAOYSA-N 1 0 383.492 4.272 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(COC)c1 ZINC000174865355 822848605 /nfs/dbraw/zinc/84/86/05/822848605.db2.gz GFUYMZPCCDIKLA-OAQYLSRUSA-N 1 0 381.520 4.209 20 0 GIADRO Cc1ccc(CSCC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000457064024 822849337 /nfs/dbraw/zinc/84/93/37/822849337.db2.gz BTYLZOWAQTVXHJ-UHFFFAOYSA-N 1 0 388.499 4.103 20 0 GIADRO CCSCc1ccccc1C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457065230 822849357 /nfs/dbraw/zinc/84/93/57/822849357.db2.gz HGQLDMPCACKVQF-UHFFFAOYSA-N 1 0 388.499 4.429 20 0 GIADRO C[C@@H](Cn1ccc2ccccc21)C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457067163 822849497 /nfs/dbraw/zinc/84/94/97/822849497.db2.gz KIAHROWHLZAAQY-INIZCTEOSA-N 1 0 395.469 4.153 20 0 GIADRO C[C@H](Cn1ccc2ccccc21)C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457067167 822849529 /nfs/dbraw/zinc/84/95/29/822849529.db2.gz KIAHROWHLZAAQY-MRXNPFEDSA-N 1 0 395.469 4.153 20 0 GIADRO C/C=C/COc1cccc(CC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000457076637 822850535 /nfs/dbraw/zinc/85/05/35/822850535.db2.gz YSWKQBYECYAKME-ONEGZZNKSA-N 1 0 398.469 4.059 20 0 GIADRO CN(C(=O)c1ccccc1N1CCCCC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457077007 822850553 /nfs/dbraw/zinc/85/05/53/822850553.db2.gz ZFGLDIGJZUDJIQ-UHFFFAOYSA-N 1 0 397.485 4.166 20 0 GIADRO Cc1noc(C)c1CSc1ccccc1C(=O)NCC[N@@H+]1CCCC1(C)C ZINC000457079811 822850807 /nfs/dbraw/zinc/85/08/07/822850807.db2.gz SXDCREURNVSSSG-UHFFFAOYSA-N 1 0 387.549 4.188 20 0 GIADRO CC[C@@H](C)Oc1ccc(C(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000457078875 822850823 /nfs/dbraw/zinc/85/08/23/822850823.db2.gz DVWJAJSYXBGCNB-OAHLLOKOSA-N 1 0 386.458 4.353 20 0 GIADRO CN(C(=O)CCc1cc(Cl)cs1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457078791 822850828 /nfs/dbraw/zinc/85/08/28/822850828.db2.gz DTDHZDPZDUHICI-UHFFFAOYSA-N 1 0 382.879 4.209 20 0 GIADRO CN(C(=O)C(C)(C)c1ccccc1Cl)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457085139 822851428 /nfs/dbraw/zinc/85/14/28/822851428.db2.gz MBOLSHKLXYWWLY-UHFFFAOYSA-N 1 0 390.877 4.493 20 0 GIADRO CCCN(CC)c1ccc(C(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000457085823 822851678 /nfs/dbraw/zinc/85/16/78/822851678.db2.gz NLCHGXUGEQQOSG-UHFFFAOYSA-N 1 0 399.501 4.412 20 0 GIADRO CN(C(=O)c1cc2ccc(Cl)cc2[nH]1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457086994 822851815 /nfs/dbraw/zinc/85/18/15/822851815.db2.gz PJBIAMKOYGALSX-UHFFFAOYSA-N 1 0 387.833 4.310 20 0 GIADRO COc1cccc(F)c1NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000186104917 822852205 /nfs/dbraw/zinc/85/22/05/822852205.db2.gz SNPZPFBJKJQTPD-UHFFFAOYSA-N 1 0 391.874 4.274 20 0 GIADRO Cc1ccc(-c2cc(C(=O)N(C)C3CC[NH+](CCC(F)(F)F)CC3)on2)cc1 ZINC000457089986 822852376 /nfs/dbraw/zinc/85/23/76/822852376.db2.gz UOBITVHSMMYWCB-UHFFFAOYSA-N 1 0 395.425 4.139 20 0 GIADRO Cc1cc(C(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)c(Cl)cc1F ZINC000457092916 822852635 /nfs/dbraw/zinc/85/26/35/822852635.db2.gz XOCQWYYDJUDJKI-UHFFFAOYSA-N 1 0 380.813 4.276 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1c(F)cc(F)cc1F)c1cccc(C(F)(F)F)c1 ZINC000186131087 822854297 /nfs/dbraw/zinc/85/42/97/822854297.db2.gz JHQDOQDQRMISRK-HNNXBMFYSA-N 1 0 390.327 4.155 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H](C)SCc2ccccc2)CC1 ZINC000053968546 822855033 /nfs/dbraw/zinc/85/50/33/822855033.db2.gz ZOOCJDMTYORADO-LJQANCHMSA-N 1 0 382.573 4.398 20 0 GIADRO Cc1cn(-c2ccccc2)nc1C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000186140689 822855131 /nfs/dbraw/zinc/85/51/31/822855131.db2.gz NGHVQXRQBNWUHG-HXUWFJFHSA-N 1 0 394.563 4.297 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F ZINC000174922374 822856348 /nfs/dbraw/zinc/85/63/48/822856348.db2.gz XTFSUBYZHAHWNW-IOMROCGXSA-N 1 0 384.470 4.049 20 0 GIADRO CCSCc1cc(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)no1 ZINC000186164974 822857301 /nfs/dbraw/zinc/85/73/01/822857301.db2.gz UBQFHIXDSWEOAN-UHFFFAOYSA-N 1 0 389.521 4.045 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1c(F)cccc1F)c1cccc(OC)c1 ZINC000054008934 822858001 /nfs/dbraw/zinc/85/80/01/822858001.db2.gz JWCROWGNVOYTKV-SFHVURJKSA-N 1 0 377.435 4.178 20 0 GIADRO Cc1cccc(NC(=O)N(C)C2CC[NH+](CCc3ccccn3)CC2)c1Cl ZINC000174935550 822858079 /nfs/dbraw/zinc/85/80/79/822858079.db2.gz IARWLMGWCSWTFK-UHFFFAOYSA-N 1 0 386.927 4.214 20 0 GIADRO C[C@H](CC(=O)NCCCC[N@H+](C)C1CC1)c1ccc(F)c(Br)c1 ZINC000457161199 822858132 /nfs/dbraw/zinc/85/81/32/822858132.db2.gz DBRWXPKYJFFGCV-CYBMUJFWSA-N 1 0 385.321 4.072 20 0 GIADRO C[N@H+](CCCCNC(=O)Cn1c2ccccc2nc1C1CCCCC1)C1CC1 ZINC000457171017 822858678 /nfs/dbraw/zinc/85/86/78/822858678.db2.gz RFWUEXSWRMHFKY-UHFFFAOYSA-N 1 0 382.552 4.075 20 0 GIADRO Cc1cc(Br)cc2c(C(=O)NCCCC[N@@H+](C)C3CC3)coc21 ZINC000457176820 822858992 /nfs/dbraw/zinc/85/89/92/822858992.db2.gz ZQXCGFNCKASDPG-UHFFFAOYSA-N 1 0 379.298 4.108 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cnc(-c2ccsc2)s1 ZINC000174942767 822859053 /nfs/dbraw/zinc/85/90/53/822859053.db2.gz MBOWVOWLBFJUIJ-QGZVFWFLSA-N 1 0 397.569 4.466 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1csc(-c2ccccc2)n1 ZINC000174945964 822859395 /nfs/dbraw/zinc/85/93/95/822859395.db2.gz PIUDVPMMOMDBFE-LJQANCHMSA-N 1 0 391.540 4.404 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)c2ccc(OC)c(OC(F)F)c2)c1 ZINC000054032718 822859804 /nfs/dbraw/zinc/85/98/04/822859804.db2.gz PXXFOJITEYSPQH-UHFFFAOYSA-N 1 0 392.446 4.068 20 0 GIADRO COc1ccccc1[C@@H](C)CC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174950341 822859976 /nfs/dbraw/zinc/85/99/76/822859976.db2.gz OPLHQPRPTSLYEA-FPOVZHCZSA-N 1 0 380.532 4.169 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)C1 ZINC000174950373 822860004 /nfs/dbraw/zinc/86/00/04/822860004.db2.gz ROXCAUDYDORELL-GFCCVEGCSA-N 1 0 392.758 4.249 20 0 GIADRO Cc1ccnc(C(=O)N2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000457195241 822860055 /nfs/dbraw/zinc/86/00/55/822860055.db2.gz NWAHBQHQXYCMFD-JOCHJYFZSA-N 1 0 392.547 4.082 20 0 GIADRO O=C([C@H]1CC1(F)F)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457195252 822860062 /nfs/dbraw/zinc/86/00/62/822860062.db2.gz OFMVNCSBZYHRDI-UXHICEINSA-N 1 0 376.491 4.325 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCCc1c[nH]c2ccccc12 ZINC000174952008 822860233 /nfs/dbraw/zinc/86/02/33/822860233.db2.gz HZCKOSUQMOUIRP-OAQYLSRUSA-N 1 0 389.543 4.471 20 0 GIADRO C[C@@H]1C[C@H](C(=O)N2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)CO1 ZINC000457197214 822860320 /nfs/dbraw/zinc/86/03/20/822860320.db2.gz UHEXWJNEVAGAEN-WTIAFYNJSA-N 1 0 384.564 4.095 20 0 GIADRO Cc1nn(C)cc1C(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457198261 822860421 /nfs/dbraw/zinc/86/04/21/822860421.db2.gz YGVPXTJKRWVLNJ-QHCPKHFHSA-N 1 0 394.563 4.026 20 0 GIADRO CCC[C@H](C(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1)c1ccccc1 ZINC000186208310 822861001 /nfs/dbraw/zinc/86/10/01/822861001.db2.gz NPVYRRHRAKYLKV-FQEVSTJZSA-N 1 0 381.520 4.408 20 0 GIADRO Cc1c2cccc(C)c2oc1C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000054082895 822861681 /nfs/dbraw/zinc/86/16/81/822861681.db2.gz KCLMLVCWWHHHOX-UHFFFAOYSA-N 1 0 377.488 4.444 20 0 GIADRO Cc1ccc(C(C)(C)C(=O)Nc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)cc1 ZINC000186219425 822861897 /nfs/dbraw/zinc/86/18/97/822861897.db2.gz ARTGSVKALNMAPX-UHFFFAOYSA-N 1 0 381.520 4.110 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)N2CC=C(c3ccc(O)cc3)CC2)cc1 ZINC000054101798 822862444 /nfs/dbraw/zinc/86/24/44/822862444.db2.gz FEITUILENCCOLO-UHFFFAOYSA-N 1 0 393.531 4.233 20 0 GIADRO COC[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1O)c1ccc(F)c(F)c1 ZINC000186225978 822862508 /nfs/dbraw/zinc/86/25/08/822862508.db2.gz UQFMICFTZUVUHF-QFYYESIMSA-N 1 0 386.236 4.471 20 0 GIADRO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000186233610 822863339 /nfs/dbraw/zinc/86/33/39/822863339.db2.gz IDKPAMRKGPSGSW-KDOFPFPSSA-N 1 0 379.909 4.006 20 0 GIADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2CCc3ccc(F)cc32)cc1 ZINC000174981010 822863850 /nfs/dbraw/zinc/86/38/50/822863850.db2.gz QNAIPWBWCUJLOH-YCRPNKLZSA-N 1 0 390.524 4.194 20 0 GIADRO Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)C(C)C)cc1NC(=O)CC[NH+](C)C ZINC000186247471 822864646 /nfs/dbraw/zinc/86/46/46/822864646.db2.gz CAUHGRUCRNRRAV-NRFANRHFSA-N 1 0 395.547 4.339 20 0 GIADRO CC[NH+]1CCN(Cc2ccc(CN[C@H](C)c3csc(C(C)C)n3)cc2)CC1 ZINC000186250700 822864847 /nfs/dbraw/zinc/86/48/47/822864847.db2.gz MZCJFRBYMVTAJA-GOSISDBHSA-N 1 0 386.609 4.255 20 0 GIADRO CCCN(CCC)C(=O)c1cccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1 ZINC000174993564 822864958 /nfs/dbraw/zinc/86/49/58/822864958.db2.gz VXPOKVWHTNRHSD-YADHBBJMSA-N 1 0 399.579 4.036 20 0 GIADRO CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)cc1 ZINC000186252824 822865270 /nfs/dbraw/zinc/86/52/70/822865270.db2.gz JQGCGJTWINWDSV-QGZVFWFLSA-N 1 0 397.519 4.315 20 0 GIADRO Cc1ccc(NC(=O)c2csc3c2CC[C@@H](C)C3)cc1NC(=O)CC[NH+](C)C ZINC000186254733 822865556 /nfs/dbraw/zinc/86/55/56/822865556.db2.gz CGLNJNYIESXKOW-CQSZACIVSA-N 1 0 399.560 4.324 20 0 GIADRO Cc1ccc(NC(=O)C[C@H](C)c2cccc(F)c2)cc1NC(=O)CC[NH+](C)C ZINC000186256248 822865674 /nfs/dbraw/zinc/86/56/74/822865674.db2.gz HDGSEEREYWPBBF-INIZCTEOSA-N 1 0 385.483 4.157 20 0 GIADRO O=c1[nH]c(CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C2CC2)nc2ccccc21 ZINC000054174148 822865984 /nfs/dbraw/zinc/86/59/84/822865984.db2.gz WJIJMNIICPPPRC-UHFFFAOYSA-N 1 0 387.405 4.149 20 0 GIADRO Cc1c(COc2ccccc2)cccc1NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000175004902 822866111 /nfs/dbraw/zinc/86/61/11/822866111.db2.gz BYRCBFITJUNHLX-LJQANCHMSA-N 1 0 381.520 4.380 20 0 GIADRO C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000054176125 822866124 /nfs/dbraw/zinc/86/61/24/822866124.db2.gz AOKULIZOKTZVCE-GFCCVEGCSA-N 1 0 387.332 4.095 20 0 GIADRO COc1cc(NC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)ccc1OC(C)C ZINC000186260068 822866274 /nfs/dbraw/zinc/86/62/74/822866274.db2.gz ZPEGUHBDDUPABP-SFHVURJKSA-N 1 0 389.471 4.046 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+][C@@H]1CCCN(C(C)C)C1=O ZINC000175007697 822866333 /nfs/dbraw/zinc/86/63/33/822866333.db2.gz IPYGVIUCNUVOGX-CXAGYDPISA-N 1 0 375.513 4.308 20 0 GIADRO Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000175007211 822866451 /nfs/dbraw/zinc/86/64/51/822866451.db2.gz QYOSNXVTDYUTTB-HNNXBMFYSA-N 1 0 396.535 4.003 20 0 GIADRO C[NH+](C)[C@H]1CCC[C@@H](NCc2csc(COc3ccc(Cl)cc3)n2)C1 ZINC000175012106 822867104 /nfs/dbraw/zinc/86/71/04/822867104.db2.gz RDACKKVTIGRBGW-WBVHZDCISA-N 1 0 379.957 4.338 20 0 GIADRO CCS[C@H]1CCCC[C@H]1NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000175013546 822867285 /nfs/dbraw/zinc/86/72/85/822867285.db2.gz XORPQHPGHBRASR-RTWAWAEBSA-N 1 0 389.609 4.357 20 0 GIADRO COc1cc(NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)ccc1OC(C)C ZINC000186269459 822867655 /nfs/dbraw/zinc/86/76/55/822867655.db2.gz QLZVKJMMAFLUOF-UHFFFAOYSA-N 1 0 397.519 4.400 20 0 GIADRO Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1NC(=O)CC[NH+](C)C ZINC000186269457 822867763 /nfs/dbraw/zinc/86/77/63/822867763.db2.gz KEQPUFMNCSVVCJ-UHFFFAOYSA-N 1 0 394.302 4.444 20 0 GIADRO Cc1ccc(NC(=O)c2cc(F)c(Cl)cc2F)cc1NC(=O)CC[NH+](C)C ZINC000186272960 822868089 /nfs/dbraw/zinc/86/80/89/822868089.db2.gz ZIDDYPZDRSAJRP-UHFFFAOYSA-N 1 0 395.837 4.069 20 0 GIADRO O=C(Nc1ccccn1)[C@H]1CCC[N@@H+](Cc2ccc(Cl)c3cccnc23)C1 ZINC000054202811 822868247 /nfs/dbraw/zinc/86/82/47/822868247.db2.gz GXXIZNGDQIOKHU-INIZCTEOSA-N 1 0 380.879 4.134 20 0 GIADRO Cc1cccnc1NC(=O)C1CC[NH+](Cc2cc(Cl)cc3cccnc32)CC1 ZINC000054207229 822868350 /nfs/dbraw/zinc/86/83/50/822868350.db2.gz JXLDOWUJALQOBV-UHFFFAOYSA-N 1 0 394.906 4.442 20 0 GIADRO CC(C)c1nc([C@H](C)NC[C@@H](O)COc2cccc(C(F)(F)F)c2)cs1 ZINC000186274630 822868584 /nfs/dbraw/zinc/86/85/84/822868584.db2.gz CRBAZOZEWWOWDU-GXTWGEPZSA-N 1 0 388.455 4.376 20 0 GIADRO COc1ccc([C@@H](NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C2CC2)cc1 ZINC000054218561 822868718 /nfs/dbraw/zinc/86/87/18/822868718.db2.gz QLAOSDQNNPKFOT-QHCPKHFHSA-N 1 0 393.531 4.110 20 0 GIADRO CC(C)c1ccc(C(=O)N2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)s1 ZINC000186277146 822869066 /nfs/dbraw/zinc/86/90/66/822869066.db2.gz LBOBXYWLTRJFFX-CALCHBBNSA-N 1 0 378.582 4.223 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H](C)Cc1cccs1 ZINC000175022656 822869175 /nfs/dbraw/zinc/86/91/75/822869175.db2.gz CAYWYOLBFKQMBA-AZUAARDMSA-N 1 0 385.577 4.233 20 0 GIADRO COc1ccc2oc(C)c(C(=O)N[C@H]3CC[N@@H+]([C@@H](C)c4ccccc4)C3)c2c1 ZINC000054222916 822869215 /nfs/dbraw/zinc/86/92/15/822869215.db2.gz NUNSHSWBMHVBEY-YJBOKZPZSA-N 1 0 378.472 4.315 20 0 GIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2sccc2Br)C1 ZINC000054222981 822869270 /nfs/dbraw/zinc/86/92/70/822869270.db2.gz FQSSOUGXNQYIKC-JSGCOSHPSA-N 1 0 379.323 4.076 20 0 GIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2occc2COc2ccccc2)C1 ZINC000054224265 822869279 /nfs/dbraw/zinc/86/92/79/822869279.db2.gz AGJNTMUHSPYITO-RXVVDRJESA-N 1 0 390.483 4.424 20 0 GIADRO CC(=O)NCC[N@H+](Cc1cccc(-c2ccc(C)cc2)c1)C1CCSCC1 ZINC000569013733 822869751 /nfs/dbraw/zinc/86/97/51/822869751.db2.gz MEUIMJFCPQOJAS-UHFFFAOYSA-N 1 0 382.573 4.496 20 0 GIADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NC[C@H](Cc1ccccc1)c1ccccc1 ZINC000569016005 822870037 /nfs/dbraw/zinc/87/00/37/822870037.db2.gz LAPOQYUWCDMHKG-QDSKXPNFSA-N 1 0 391.559 4.281 20 0 GIADRO COc1ccccc1[C@H]1[C@@H]([NH3+])CCCN1C(=O)CCCc1ccc(Cl)cc1 ZINC000457359952 822870251 /nfs/dbraw/zinc/87/02/51/822870251.db2.gz GSSQKWWOGNBWFD-UGKGYDQZSA-N 1 0 386.923 4.362 20 0 GIADRO CCN1CCC([NH+]2CCC(C(=O)N[C@H](CCC(C)C)C(C)(C)C)CC2)CC1 ZINC000569017939 822870285 /nfs/dbraw/zinc/87/02/85/822870285.db2.gz YLOANGOGKQIVFM-OAQYLSRUSA-N 1 0 379.633 4.150 20 0 GIADRO COc1ccccc1[C@H]1[C@@H]([NH3+])CCCN1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000457363024 822870357 /nfs/dbraw/zinc/87/03/57/822870357.db2.gz NTERJWLEXXPSBD-WMZOPIPTSA-N 1 0 378.394 4.019 20 0 GIADRO COc1ccc([C@H]2CCN(C(=O)c3cccc(-c4ccoc4)c3)C[C@H]2[NH3+])cc1F ZINC000457365738 822870502 /nfs/dbraw/zinc/87/05/02/822870502.db2.gz CHTZOLMFUBNSQC-TZIWHRDSSA-N 1 0 394.446 4.051 20 0 GIADRO COc1ccccc1[C@H]1[C@@H]([NH3+])CCCN1C(=O)CCCc1c[nH]c2ccccc12 ZINC000457363734 822870508 /nfs/dbraw/zinc/87/05/08/822870508.db2.gz ONCVZHWFWXKYQK-RDPSFJRHSA-N 1 0 391.515 4.190 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)Nc2ccc(OC(C)C)c(OC)c2)c1 ZINC000186285080 822870526 /nfs/dbraw/zinc/87/05/26/822870526.db2.gz DFSUEDIGLUYTCZ-UHFFFAOYSA-N 1 0 385.508 4.256 20 0 GIADRO CCCOc1c(Cl)cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc1OC ZINC000175027795 822870558 /nfs/dbraw/zinc/87/05/58/822870558.db2.gz ZVAXQYGCAVUPSG-SJORKVTESA-N 1 0 394.943 4.225 20 0 GIADRO COc1cc2c(cc1OC)[C@@H]([NH2+]CCc1cnc(SC3CCCC3)nc1)CC2 ZINC000569024693 822870613 /nfs/dbraw/zinc/87/06/13/822870613.db2.gz MUAHERRSPQTHPP-IBGZPJMESA-N 1 0 399.560 4.348 20 0 GIADRO COc1ccc([C@H]2CCN(C(=O)c3cc4cc(C)c(C)cc4o3)C[C@H]2[NH3+])cc1F ZINC000457364099 822870657 /nfs/dbraw/zinc/87/06/57/822870657.db2.gz AYGJLZLTUDNWQY-IEBWSBKVSA-N 1 0 396.462 4.154 20 0 GIADRO COc1ccccc1[C@H]1[C@@H]([NH3+])CCCN1C(=O)c1nc(-c2ccco2)sc1C ZINC000457366962 822870791 /nfs/dbraw/zinc/87/07/91/822870791.db2.gz VPURJDAOOMBSBB-KXBFYZLASA-N 1 0 397.500 4.025 20 0 GIADRO COC[C@@H]([NH2+]Cc1cc2c(c(Br)c1)OCO2)c1cccc(Cl)c1 ZINC000569029681 822871013 /nfs/dbraw/zinc/87/10/13/822871013.db2.gz GCFKFFYSJAPMOS-OAHLLOKOSA-N 1 0 398.684 4.309 20 0 GIADRO [NH3+][C@H]1CN(C(=O)CCc2cccc(C(F)(F)F)c2)CC[C@@H]1c1ccc(F)cc1 ZINC000457373290 822871140 /nfs/dbraw/zinc/87/11/40/822871140.db2.gz JUKXCSPXIQYIOM-MOPGFXCFSA-N 1 0 394.412 4.121 20 0 GIADRO Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000457377782 822871547 /nfs/dbraw/zinc/87/15/47/822871547.db2.gz NMHCSMMXWMPXKV-UHFFFAOYSA-N 1 0 390.531 4.195 20 0 GIADRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000457379782 822871622 /nfs/dbraw/zinc/87/16/22/822871622.db2.gz ULIQYCWUACENOC-GUYCJALGSA-N 1 0 376.932 4.437 20 0 GIADRO C[C@@H](NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)c1ccc(F)cc1F ZINC000457382764 822871828 /nfs/dbraw/zinc/87/18/28/822871828.db2.gz XKWULGMOCJHPRT-GFCCVEGCSA-N 1 0 393.400 4.084 20 0 GIADRO C[C@@H]1C[C@H](c2cccnc2)N(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C1 ZINC000186291816 822871855 /nfs/dbraw/zinc/87/18/55/822871855.db2.gz PBQUFRAOLIEYRT-LYSIVYOWSA-N 1 0 398.576 4.319 20 0 GIADRO COc1ccc([C@@H]2CCN(C(=O)c3ccc(Cl)c(Cl)c3)C[C@H]2[NH3+])cc1F ZINC000457386864 822871992 /nfs/dbraw/zinc/87/19/92/822871992.db2.gz UDOFMGZEEURQGN-SUMWQHHRSA-N 1 0 397.277 4.098 20 0 GIADRO COc1ccc([C@H]2CCN(C(=O)c3ccc(Cl)c(Cl)c3)C[C@@H]2[NH3+])cc1F ZINC000457386862 822872007 /nfs/dbraw/zinc/87/20/07/822872007.db2.gz UDOFMGZEEURQGN-DYVFJYSZSA-N 1 0 397.277 4.098 20 0 GIADRO COc1ccc([C@H]2CCN(C(=O)c3ccc(Cl)cc3Cl)C[C@@H]2[NH3+])cc1F ZINC000457391999 822872636 /nfs/dbraw/zinc/87/26/36/822872636.db2.gz YOCAVEPTSWSUTP-DYVFJYSZSA-N 1 0 397.277 4.098 20 0 GIADRO CC[C@@H](C)[NH2+][C@H](CNC(=O)c1cnccc1Oc1ccccc1)c1ccco1 ZINC000569042157 822872752 /nfs/dbraw/zinc/87/27/52/822872752.db2.gz WFUAFUPTGOUGJH-VQIMIIECSA-N 1 0 379.460 4.326 20 0 GIADRO CCOC(=O)c1cc2cc(NC(=O)N(C)[C@H]3CC[N@H+](C)[C@H](C)C3)ccc2s1 ZINC000175046307 822873124 /nfs/dbraw/zinc/87/31/24/822873124.db2.gz UNOOSUFCDDZJKM-CJNGLKHVSA-N 1 0 389.521 4.024 20 0 GIADRO C[C@H](c1nc(-c2ccccc2)no1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000569054337 822874396 /nfs/dbraw/zinc/87/43/96/822874396.db2.gz HPBHXVRFGGVWRV-QIJUGHKUSA-N 1 0 388.515 4.252 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(-c3nc(CC(F)(F)F)no3)c2)C12CCC2 ZINC000569055548 822874672 /nfs/dbraw/zinc/87/46/72/822874672.db2.gz LTJZBTXOZHMMJZ-JKSUJKDBSA-N 1 0 395.425 4.279 20 0 GIADRO CCO[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nc(CC(F)(F)F)no3)c2)C12CCC2 ZINC000569055546 822874711 /nfs/dbraw/zinc/87/47/11/822874711.db2.gz LTJZBTXOZHMMJZ-HOTGVXAUSA-N 1 0 395.425 4.279 20 0 GIADRO C[C@@H](CCCC(F)(F)F)[NH2+]Cc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1 ZINC000569055474 822874757 /nfs/dbraw/zinc/87/47/57/822874757.db2.gz HNDAKIBAYOQYNE-AWEZNQCLSA-N 1 0 397.441 4.266 20 0 GIADRO Cc1cc(Br)c(C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)s1 ZINC000457435006 822874860 /nfs/dbraw/zinc/87/48/60/822874860.db2.gz HWDYVBSSSNHRDL-BETUJISGSA-N 1 0 387.387 4.307 20 0 GIADRO O=C(c1ccc(C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)cc1)N1CCCC1 ZINC000054358858 822878326 /nfs/dbraw/zinc/87/83/26/822878326.db2.gz VDOMDKAIHBPQFE-FQEVSTJZSA-N 1 0 384.545 4.165 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)N[C@@H](C)Cc3ccccc3F)c(C)c2)CC1 ZINC000054382650 822879717 /nfs/dbraw/zinc/87/97/17/822879717.db2.gz KJSXMBNJLRDVKN-SFHVURJKSA-N 1 0 398.526 4.029 20 0 GIADRO COc1ccccc1-c1nc(C2CC[NH+](CCc3ncc(C)cc3C)CC2)no1 ZINC000569099211 822879793 /nfs/dbraw/zinc/87/97/93/822879793.db2.gz UDMNJNQULWDBSD-UHFFFAOYSA-N 1 0 392.503 4.179 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)N[C@@H](C)c3ccc(C)s3)c(C)c2)CC1 ZINC000054382658 822879855 /nfs/dbraw/zinc/87/98/55/822879855.db2.gz SCOOTQQIPJPKTL-KRWDZBQOSA-N 1 0 386.565 4.390 20 0 GIADRO CCc1nocc1CN(C)C(=O)NC[C@H](c1ccccc1Cl)[NH+](CC)CC ZINC000457486157 822880396 /nfs/dbraw/zinc/88/03/96/822880396.db2.gz PGDUTYMSOUOLQH-LJQANCHMSA-N 1 0 392.931 4.115 20 0 GIADRO C[C@H]([NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1)c1ccc2c(c1)CCC2 ZINC000569109618 822880728 /nfs/dbraw/zinc/88/07/28/822880728.db2.gz BIQVXSIVVDTLAQ-ZDUSSCGKSA-N 1 0 397.462 4.448 20 0 GIADRO C[C@@H](CC(F)(F)F)C(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000457497250 822881950 /nfs/dbraw/zinc/88/19/50/822881950.db2.gz JVBSRGVZUDQHPV-LBPRGKRZSA-N 1 0 384.364 4.184 20 0 GIADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]C[C@H](c1ccccc1)C1CC1 ZINC000569132056 822882390 /nfs/dbraw/zinc/88/23/90/822882390.db2.gz PUVQUHGQTHCCDR-GOSISDBHSA-N 1 0 377.937 4.417 20 0 GIADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)CCCOc1cccc(Cl)c1Cl ZINC000569133459 822882592 /nfs/dbraw/zinc/88/25/92/822882592.db2.gz PQEVAZNIISPTDZ-LSDHHAIUSA-N 1 0 385.335 4.238 20 0 GIADRO CC(C)Oc1ccc(C(=O)Nc2cccc(OCC[NH+](C)C)c2)c(Cl)c1 ZINC000457505083 822883235 /nfs/dbraw/zinc/88/32/35/822883235.db2.gz NEROQPDVCXQHEK-UHFFFAOYSA-N 1 0 376.884 4.320 20 0 GIADRO CC1(C)OCc2cc(C[NH2+]C[C@H]3CCCN(Cc4cccs4)C3)ccc2O1 ZINC000186372441 822883619 /nfs/dbraw/zinc/88/36/19/822883619.db2.gz SHRDBEDQHUAWEC-GOSISDBHSA-N 1 0 386.561 4.395 20 0 GIADRO C[N@H+](CCC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc2c(c1)OCO2 ZINC000054427320 822884217 /nfs/dbraw/zinc/88/42/17/822884217.db2.gz RAJOXDBDLXBDMZ-UHFFFAOYSA-N 1 0 381.259 4.183 20 0 GIADRO C[C@H](c1nc2ccccc2s1)[N@H+](C)CCC(=O)Nc1ccc2c(c1)OCO2 ZINC000054427492 822884288 /nfs/dbraw/zinc/88/42/88/822884288.db2.gz RFYMTSYYVTZZSL-CYBMUJFWSA-N 1 0 383.473 4.047 20 0 GIADRO COc1ccccc1[C@@H](C[NH2+][C@H](C)c1ccc([S@](C)=O)cc1)OC(C)C ZINC000186375160 822884290 /nfs/dbraw/zinc/88/42/90/822884290.db2.gz GKQVCKULKSIYKL-JEIUEKOBSA-N 1 0 375.534 4.250 20 0 GIADRO CC[C@H]([NH2+][C@@H]1CCC[C@@H]2CN(C(C)=O)C[C@H]21)c1cc(F)cc(Br)c1 ZINC000569149825 822884278 /nfs/dbraw/zinc/88/42/78/822884278.db2.gz QVJLNOILEZMHCM-CODKJTEISA-N 1 0 397.332 4.276 20 0 GIADRO O=C(CC[NH+]1CCC(OCc2ccccc2)CC1)Nc1ccc(Cl)cc1F ZINC000054429400 822884379 /nfs/dbraw/zinc/88/43/79/822884379.db2.gz YRYYJZZXADYGQS-UHFFFAOYSA-N 1 0 390.886 4.489 20 0 GIADRO COc1cc(C[N@H+](CCC(=O)Nc2ccccc2)C2CC2)ccc1OC(F)F ZINC000054428377 822884430 /nfs/dbraw/zinc/88/44/30/822884430.db2.gz BUEBNBQGOVMMHP-UHFFFAOYSA-N 1 0 390.430 4.290 20 0 GIADRO COc1ccccc1[C@@H](C[NH2+]C1CCN(CCC(F)(F)F)CC1)OC(C)C ZINC000186379329 822884991 /nfs/dbraw/zinc/88/49/91/822884991.db2.gz CFDOZOAPPGGBCF-LJQANCHMSA-N 1 0 388.474 4.168 20 0 GIADRO COc1ccccc1[C@H](C[NH2+][C@@H](C)CC(=O)Nc1ccccc1C)OC(C)C ZINC000186380571 822885102 /nfs/dbraw/zinc/88/51/02/822885102.db2.gz LJRDDIZEMMGRHR-AVRDEDQJSA-N 1 0 384.520 4.477 20 0 GIADRO CCOc1cc(NC(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)ccc1OC ZINC000054434520 822885216 /nfs/dbraw/zinc/88/52/16/822885216.db2.gz RBPQXRSMRCXOPG-QFBILLFUSA-N 1 0 383.492 4.051 20 0 GIADRO COc1ccccc1[C@@H](C[NH2+][C@H](C)CC(=O)Nc1ccccc1C)OC(C)C ZINC000186380589 822885249 /nfs/dbraw/zinc/88/52/49/822885249.db2.gz LJRDDIZEMMGRHR-XMSQKQJNSA-N 1 0 384.520 4.477 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)N[C@H](c1ccco1)c1ccccc1 ZINC000457523766 822885533 /nfs/dbraw/zinc/88/55/33/822885533.db2.gz ODZLLRYBKUYAGP-FQEVSTJZSA-N 1 0 383.517 4.204 20 0 GIADRO O=C(c1ccc(Oc2cccc(F)c2)cn1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000457545636 822888573 /nfs/dbraw/zinc/88/85/73/822888573.db2.gz FLKWFYKUWNJCNQ-SFHVURJKSA-N 1 0 383.467 4.104 20 0 GIADRO O=C(Cc1cccs1)Nc1ccccc1NC(=O)C1C[NH+](C2CCCCC2)C1 ZINC000457550195 822889378 /nfs/dbraw/zinc/88/93/78/822889378.db2.gz MPTBOGLTMZFZPU-UHFFFAOYSA-N 1 0 397.544 4.132 20 0 GIADRO CC(C)c1cccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000175135669 822889742 /nfs/dbraw/zinc/88/97/42/822889742.db2.gz BHNCBBMHRQAFJY-XLIONFOSSA-N 1 0 399.560 4.009 20 0 GIADRO CC[C@]1(C)Oc2ccc(NC(=O)N3CCN(C)C[C@H]3c3ccccc3)cc2O1 ZINC000569185394 822889951 /nfs/dbraw/zinc/88/99/51/822889951.db2.gz ACDULQHBPKETMP-PGRDOPGGSA-N 1 0 381.476 4.105 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CCc2cn(C)c3cc(F)ccc23)cc1NC(C)=O ZINC000186414364 822890593 /nfs/dbraw/zinc/89/05/93/822890593.db2.gz ZPBVMVMVKQWJEE-AWEZNQCLSA-N 1 0 383.467 4.178 20 0 GIADRO CCOc1cccc(CNC(=O)N(CC)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000175142596 822890757 /nfs/dbraw/zinc/89/07/57/822890757.db2.gz BMCOERZRTOOSTF-QFIPXVFZSA-N 1 0 395.547 4.139 20 0 GIADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)N[C@@H]3CCSc4ccc(Cl)cc43)C2)C1 ZINC000457558445 822890849 /nfs/dbraw/zinc/89/08/49/822890849.db2.gz TWYBVCIVTIQXFU-APWZRJJASA-N 1 0 379.957 4.004 20 0 GIADRO CCOC(=O)N1CCC([C@@H](C)[NH2+]Cc2coc(-c3cccc(Cl)c3)n2)CC1 ZINC000186418435 822891272 /nfs/dbraw/zinc/89/12/72/822891272.db2.gz DPXYBLGRVIKWRW-CQSZACIVSA-N 1 0 391.899 4.342 20 0 GIADRO COc1cc(C[NH2+]Cc2cn(-c3cccc(F)c3)nc2C)ccc1OC(F)F ZINC000569200350 822892205 /nfs/dbraw/zinc/89/22/05/822892205.db2.gz PUBSRUOEANDKGH-UHFFFAOYSA-N 1 0 391.393 4.220 20 0 GIADRO CC[C@H](CC(F)F)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000457565725 822892242 /nfs/dbraw/zinc/89/22/42/822892242.db2.gz HYXFGZMGONGROZ-UKRRQHHQSA-N 1 0 378.385 4.077 20 0 GIADRO CCOC(=O)N1CCC([C@H](C)[NH2+]Cc2csc(-c3ccccc3F)n2)CC1 ZINC000186425332 822892666 /nfs/dbraw/zinc/89/26/66/822892666.db2.gz VCVYQBAPENNJNS-AWEZNQCLSA-N 1 0 391.512 4.296 20 0 GIADRO CCn1c(-c2ccccc2)nn(CN2CC[N@H+](C)C[C@@H]2c2ccccc2)c1=S ZINC000054519371 822892687 /nfs/dbraw/zinc/89/26/87/822892687.db2.gz HUTFFBYBRRXHBO-HXUWFJFHSA-N 1 0 393.560 4.047 20 0 GIADRO O=C(c1ccc(Oc2cccc(F)c2)cn1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000457575447 822893535 /nfs/dbraw/zinc/89/35/35/822893535.db2.gz LJROPHICDANFME-GOSISDBHSA-N 1 0 383.467 4.104 20 0 GIADRO Cc1ccccc1Oc1ccc(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)nc1 ZINC000457579214 822894018 /nfs/dbraw/zinc/89/40/18/822894018.db2.gz OMFZIKNGSOPLRX-UHFFFAOYSA-N 1 0 379.504 4.273 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(Oc3cccc(Cl)c3)cn2)[C@H](C)C1 ZINC000457583435 822894296 /nfs/dbraw/zinc/89/42/96/822894296.db2.gz AECNJQZXIJJJAJ-QRWLVFNGSA-N 1 0 387.911 4.330 20 0 GIADRO O=C(NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000569228738 822894725 /nfs/dbraw/zinc/89/47/25/822894725.db2.gz GRBIYHQASHESCL-LHHMISFZSA-N 1 0 386.433 4.004 20 0 GIADRO C[C@@H]([NH2+]Cc1nc(COc2ccccc2)n[nH]1)[C@H](C)c1nc2ccccc2s1 ZINC000186433689 822894757 /nfs/dbraw/zinc/89/47/57/822894757.db2.gz RYROKVKBDAMGCT-LSDHHAIUSA-N 1 0 393.516 4.275 20 0 GIADRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)[C@@H]1CCCC[C@H]1C1CC1)c1ccccc1O2 ZINC000569245922 822896092 /nfs/dbraw/zinc/89/60/92/822896092.db2.gz TZLJMRDYXBHXHW-ZVDOUQERSA-N 1 0 382.548 4.307 20 0 GIADRO Cn1cccc1[C@H]1CCCCN1C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000175166868 822896272 /nfs/dbraw/zinc/89/62/72/822896272.db2.gz TZHKRUVLGJHETP-WOJBJXKFSA-N 1 0 384.524 4.082 20 0 GIADRO CCC[N@H+](C)[C@@H](CNC(=O)c1cnc2cnccc2c1)c1ccc(Cl)cc1 ZINC000569250453 822896607 /nfs/dbraw/zinc/89/66/07/822896607.db2.gz QWERBKSYIPMUQU-FQEVSTJZSA-N 1 0 382.895 4.096 20 0 GIADRO CC(C)(NC(=O)Nc1ccc2c(c1)C[NH2+]C2)c1ccc(OC(F)(F)F)cc1 ZINC000569255087 822897106 /nfs/dbraw/zinc/89/71/06/822897106.db2.gz RTXRFYFGUREABO-UHFFFAOYSA-N 1 0 379.382 4.245 20 0 GIADRO CCOC(=O)N1CC[C@H]([NH2+][C@@H](C)c2sc(-c3ccc(F)cc3)nc2C)C1 ZINC000186454330 822898323 /nfs/dbraw/zinc/89/83/23/822898323.db2.gz XUJOZTGYNQNGFP-LRDDRELGSA-N 1 0 377.485 4.139 20 0 GIADRO COc1ccc(CN(C(=O)c2ccc3c[nH+]cn3c2)C2CCCCC2)cc1OC ZINC000569265907 822898354 /nfs/dbraw/zinc/89/83/54/822898354.db2.gz YSIARGCYPDLHHC-UHFFFAOYSA-N 1 0 393.487 4.327 20 0 GIADRO Cc1cc(OCc2ccccc2)c(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)s1 ZINC000457629601 822898887 /nfs/dbraw/zinc/89/88/87/822898887.db2.gz WHMKEGSOBOGVMO-YQQQUEKLSA-N 1 0 384.545 4.381 20 0 GIADRO O=C(c1ocnc1C1CC1)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000569272993 822899450 /nfs/dbraw/zinc/89/94/50/822899450.db2.gz PBVGPXHYBJIHJA-UHFFFAOYSA-N 1 0 379.504 4.213 20 0 GIADRO C[C@H](Cc1cccc(F)c1)N(C)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000457641860 822900142 /nfs/dbraw/zinc/90/01/42/822900142.db2.gz SXCQQJCQDZFKBB-LJQANCHMSA-N 1 0 397.538 4.105 20 0 GIADRO CC[C@@H](C(=O)N[C@H](C)c1ncc(-c2ccccc2)o1)[N@H+](C)Cc1ccccc1 ZINC000569280459 822900724 /nfs/dbraw/zinc/90/07/24/822900724.db2.gz NKNJLHAJMKEWCR-XLIONFOSSA-N 1 0 377.488 4.429 20 0 GIADRO CC(C)C(=O)N(C)Cc1ccc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000175198487 822902252 /nfs/dbraw/zinc/90/22/52/822902252.db2.gz XIGKDORXOMVXDH-UHFFFAOYSA-N 1 0 393.531 4.149 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCc1cc2ccccc2o1 ZINC000175200402 822902760 /nfs/dbraw/zinc/90/27/60/822902760.db2.gz OTMVHDMBTBAOST-HXUWFJFHSA-N 1 0 391.515 4.139 20 0 GIADRO CC[C@@H](CC(F)F)C(=O)Nc1c(C)cnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000457661603 822902900 /nfs/dbraw/zinc/90/29/00/822902900.db2.gz IHQSKPOBCDAHNU-ZWKOTPCHSA-N 1 0 390.478 4.258 20 0 GIADRO CSc1cccc(N(C(=O)CC[C@@H]2CC[C@H](C)O2)C2CC[NH+](C)CC2)c1 ZINC000175205991 822904102 /nfs/dbraw/zinc/90/41/02/822904102.db2.gz BRXJOJCKZOCILZ-LPHOPBHVSA-N 1 0 376.566 4.183 20 0 GIADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(Oc3cccc(Cl)c3)cn2)C1 ZINC000457669777 822904279 /nfs/dbraw/zinc/90/42/79/822904279.db2.gz NSRBHESFJWRWDX-QRWLVFNGSA-N 1 0 385.895 4.084 20 0 GIADRO Cc1ccc(Br)c(C)c1C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000569306540 822904847 /nfs/dbraw/zinc/90/48/47/822904847.db2.gz SPDKTFONRCQNRY-OAHLLOKOSA-N 1 0 381.339 4.160 20 0 GIADRO C[C@H]1CC[C@@H](CCC(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)O1 ZINC000175211637 822905427 /nfs/dbraw/zinc/90/54/27/822905427.db2.gz ZZOJTJZDRBPRPS-AVRDEDQJSA-N 1 0 380.532 4.379 20 0 GIADRO CCN(C(C)=O)c1nc(C[NH2+]CC2(c3ccc(C(F)(F)F)cc3)CC2)cs1 ZINC000186507945 822906447 /nfs/dbraw/zinc/90/64/47/822906447.db2.gz FDWKHECZIHFFAM-UHFFFAOYSA-N 1 0 397.466 4.356 20 0 GIADRO COC1(C[NH2+][C@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)CCCCC1 ZINC000186513517 822906970 /nfs/dbraw/zinc/90/69/70/822906970.db2.gz SFTWKXQAOBAKNS-QGZVFWFLSA-N 1 0 379.566 4.403 20 0 GIADRO CO[C@@H](C)c1nc(CN2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)cs1 ZINC000175218620 822907246 /nfs/dbraw/zinc/90/72/46/822907246.db2.gz OXMAEADRULGERR-UGSOOPFHSA-N 1 0 380.941 4.450 20 0 GIADRO COc1ccc([C@H](C)NC(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc1F ZINC000054718044 822907356 /nfs/dbraw/zinc/90/73/56/822907356.db2.gz YLSLRXITLDOBIB-BXWFABGCSA-N 1 0 385.483 4.030 20 0 GIADRO COc1ccc(C[NH2+]C[C@@H](O)Cn2c3ccccc3c3ccccc32)cc1F ZINC000569326654 822907893 /nfs/dbraw/zinc/90/78/93/822907893.db2.gz AWNUCSYAGTVCPX-QGZVFWFLSA-N 1 0 378.447 4.093 20 0 GIADRO C[C@H]1CN(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)[C@H]1c1ccccc1 ZINC000175224595 822908419 /nfs/dbraw/zinc/90/84/19/822908419.db2.gz BUNSRUOUIJLNEK-HTAPYJJXSA-N 1 0 381.495 4.193 20 0 GIADRO COc1ccc([C@@H](NC(=O)NC[C@H](c2ccsc2)[NH+](C)C)c2ccco2)cc1 ZINC000457703644 822908537 /nfs/dbraw/zinc/90/85/37/822908537.db2.gz JMQSKQMTHAVUFY-UYAOXDASSA-N 1 0 399.516 4.041 20 0 GIADRO O=C(Nc1cc(F)c(N2CCCC2)c(F)c1)NC1CC[NH+](C2CCCC2)CC1 ZINC000175229720 822909580 /nfs/dbraw/zinc/90/95/80/822909580.db2.gz YNJWKPGLVORXDV-UHFFFAOYSA-N 1 0 392.494 4.094 20 0 GIADRO O=C(NCCC[C@@H]1CCC[NH2+]1)[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000569350638 822910306 /nfs/dbraw/zinc/91/03/06/822910306.db2.gz QMKCPMHVNBUSBG-ACIOBRDBSA-N 1 0 378.516 4.018 20 0 GIADRO [NH3+]CC1CCN(C(=O)c2c(F)cccc2Sc2ccc(Cl)cc2)CC1 ZINC000569363709 822911406 /nfs/dbraw/zinc/91/14/06/822911406.db2.gz LDSNYBALSWNRBR-UHFFFAOYSA-N 1 0 378.900 4.441 20 0 GIADRO CCCn1nc(C)c(C(=O)NC[C@H](c2ccc(CC)cc2)[NH+](CC)CC)c1C ZINC000569373555 822912732 /nfs/dbraw/zinc/91/27/32/822912732.db2.gz JUDDPIZSZHXYCG-OAQYLSRUSA-N 1 0 384.568 4.285 20 0 GIADRO 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 822913285 /nfs/dbraw/zinc/91/32/85/822913285.db2.gz OVMMBXAQOALWCS-YYIAUSFCSA-N 1 0 377.495 4.259 20 0 GIADRO CC(C)(C[NH2+]C1CCN(Cc2ccccn2)CC1)c1cccc(Cl)c1F ZINC000186566521 822914360 /nfs/dbraw/zinc/91/43/60/822914360.db2.gz JOYJYLKODFPBET-UHFFFAOYSA-N 1 0 375.919 4.406 20 0 GIADRO O=C(c1cccc(C[NH+]2CCC(OCc3ccccc3)CC2)c1)N1CCCCC1 ZINC000054808266 822914660 /nfs/dbraw/zinc/91/46/60/822914660.db2.gz HZRZTILDVMVCDE-UHFFFAOYSA-N 1 0 392.543 4.494 20 0 GIADRO C[C@H]([NH2+]C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C)c1ccc([S@@](C)=O)cc1 ZINC000186571664 822915482 /nfs/dbraw/zinc/91/54/82/822915482.db2.gz NMSBMYUZHZQUJO-JSJVNUNZSA-N 1 0 398.494 4.396 20 0 GIADRO CC[NH+]1CCC(CNC(=O)N[C@H](Cc2ccccc2)c2ccc(OC)cc2)CC1 ZINC000569417271 822919971 /nfs/dbraw/zinc/91/99/71/822919971.db2.gz DMTGUEVXNCXQTN-HSZRJFAPSA-N 1 0 395.547 4.010 20 0 GIADRO Cc1cccc(OCCCCC(=O)N(Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c1 ZINC000186595511 822920361 /nfs/dbraw/zinc/92/03/61/822920361.db2.gz NLFAZGYODQQHGF-QFIPXVFZSA-N 1 0 395.547 4.110 20 0 GIADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc(Oc2cccc(Cl)c2)cn1 ZINC000457807007 822921371 /nfs/dbraw/zinc/92/13/71/822921371.db2.gz PAQRXYORSCFKDF-DOTOQJQBSA-N 1 0 385.895 4.226 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cnc(Cl)c(Cl)c1 ZINC000175277713 822922569 /nfs/dbraw/zinc/92/25/69/822922569.db2.gz YHSYEHVNWJVAMN-MRXNPFEDSA-N 1 0 392.330 4.373 20 0 GIADRO O=C(NC[C@H]1CCCO1)c1cccc(C[NH2+]CC2CCC(C(F)(F)F)CC2)c1 ZINC000186606393 822922788 /nfs/dbraw/zinc/92/27/88/822922788.db2.gz UCOSCWHAPRCRFL-XUJQIHCRSA-N 1 0 398.469 4.054 20 0 GIADRO O=C([C@@H](Cc1ccccc1)[NH2+]CC1CCC(C(F)(F)F)CC1)N1CCCC1 ZINC000186612378 822923522 /nfs/dbraw/zinc/92/35/22/822923522.db2.gz QVLAUEUINSWJGW-CTWPCTMYSA-N 1 0 382.470 4.178 20 0 GIADRO CC(C)(Cc1ccc(Cl)cc1)C(=O)Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000457837054 822924327 /nfs/dbraw/zinc/92/43/27/822924327.db2.gz YOIRCODHVKYDIG-HXUWFJFHSA-N 1 0 386.923 4.114 20 0 GIADRO CCOc1ccc(NC(=S)NC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000054954860 822924901 /nfs/dbraw/zinc/92/49/01/822924901.db2.gz NYOVONLBLRNFOM-UHFFFAOYSA-N 1 0 387.524 4.175 20 0 GIADRO [NH3+]CC[C@@H](NC(=O)CS[C@H](c1ccccc1)c1ccc(Cl)cc1)C(F)F ZINC000569455780 822925412 /nfs/dbraw/zinc/92/54/12/822925412.db2.gz RGGLSHUBBYCIKU-SJLPKXTDSA-N 1 0 398.906 4.261 20 0 GIADRO COCC[C@H](Cc1cccc(F)c1)[NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000186625574 822925495 /nfs/dbraw/zinc/92/54/95/822925495.db2.gz AZAYQDYJNQSSHU-YADHBBJMSA-N 1 0 385.458 4.025 20 0 GIADRO Cc1cc(-c2noc([C@@H](C)[N@@H+]3C[C@H](c4cnn(C)c4)C(C)(C)C3)n2)ccc1F ZINC000569469381 822926714 /nfs/dbraw/zinc/92/67/14/822926714.db2.gz WNVMNPSBOBRDBF-RHSMWYFYSA-N 1 0 383.471 4.104 20 0 GIADRO CC[N@@H+]1CCC[C@H]1CNC(=S)N(Cc1ccccn1)c1ccc(Cl)cc1 ZINC000054973407 822926851 /nfs/dbraw/zinc/92/68/51/822926851.db2.gz QDZQSFCGWVTMJC-IBGZPJMESA-N 1 0 388.968 4.100 20 0 GIADRO Cc1cccc(C(C)C)c1NC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000175295210 822927178 /nfs/dbraw/zinc/92/71/78/822927178.db2.gz ZZPAZLIOXBAROU-UHFFFAOYSA-N 1 0 395.547 4.397 20 0 GIADRO Clc1ccc(-c2noc(CC[N@@H+]3CC[C@@]4(C3)OCc3ccccc34)n2)cc1 ZINC000186635156 822927257 /nfs/dbraw/zinc/92/72/57/822927257.db2.gz QIOWQCNEVLNAMR-NRFANRHFSA-N 1 0 381.863 4.064 20 0 GIADRO CCn1c(Cc2ccsc2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000569476787 822927721 /nfs/dbraw/zinc/92/77/21/822927721.db2.gz RHNGDUFDAPTTTF-PKOBYXMFSA-N 1 0 387.597 4.041 20 0 GIADRO CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000186641761 822928047 /nfs/dbraw/zinc/92/80/47/822928047.db2.gz VMHCECPXYAHEDF-OFNKIYASSA-N 1 0 397.494 4.277 20 0 GIADRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)c2cncc(-c3ccc(Cl)cc3)c2)CC1 ZINC000569483546 822928203 /nfs/dbraw/zinc/92/82/03/822928203.db2.gz QMSCGDPXXUAFLO-FQEVSTJZSA-N 1 0 383.923 4.252 20 0 GIADRO O=C(NCCNc1cc[nH+]cc1)N[C@H](c1ccccc1)c1ccc2ccccc2c1 ZINC000569484870 822928447 /nfs/dbraw/zinc/92/84/47/822928447.db2.gz UBSAAMHQURMEGF-XMMPIXPASA-N 1 0 396.494 4.157 20 0 GIADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C[C@@H](C)c1cccc(F)c1 ZINC000175299369 822928692 /nfs/dbraw/zinc/92/86/92/822928692.db2.gz XOKDAPNOCJHSLI-QGZVFWFLSA-N 1 0 399.510 4.109 20 0 GIADRO CCOC(=O)Nc1ccc2c(C[N@H+](C)CCc3ccc(F)cc3)cc(=O)oc2c1 ZINC000055022925 822931942 /nfs/dbraw/zinc/93/19/42/822931942.db2.gz GLTAEHKYUKXKSS-UHFFFAOYSA-N 1 0 398.434 4.175 20 0 GIADRO O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000569510545 822932047 /nfs/dbraw/zinc/93/20/47/822932047.db2.gz HVBARKAUZMEJLC-JOCHJYFZSA-N 1 0 380.488 4.093 20 0 GIADRO CC(C)(C)CC[NH+]1CCN(Cn2nc(C=Cc3ccccc3)[nH]c2=S)CC1 ZINC000055035471 822932762 /nfs/dbraw/zinc/93/27/62/822932762.db2.gz FGFLDLAOXZMUGS-MDZDMXLPSA-N 1 0 385.581 4.122 20 0 GIADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000569517736 822933376 /nfs/dbraw/zinc/93/33/76/822933376.db2.gz GLSWQNQBDCIUBO-MSOLQXFVSA-N 1 0 384.524 4.355 20 0 GIADRO COc1ccc(CN(C)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1F ZINC000055047631 822934704 /nfs/dbraw/zinc/93/47/04/822934704.db2.gz QYKSSVDQIUTMPF-UHFFFAOYSA-N 1 0 399.510 4.162 20 0 GIADRO COC[C@H]([NH2+][C@H](C)CC(=O)Nc1ccccc1OC)c1cccc(Cl)c1 ZINC000569528161 822934988 /nfs/dbraw/zinc/93/49/88/822934988.db2.gz PYYXVAXVXIJMIG-KDOFPFPSSA-N 1 0 376.884 4.043 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000457921283 822936269 /nfs/dbraw/zinc/93/62/69/822936269.db2.gz BXGUNVXFOZJGTJ-RDJZCZTQSA-N 1 0 398.576 4.305 20 0 GIADRO O=C(NCC(F)(F)c1ccccc1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000569537746 822936654 /nfs/dbraw/zinc/93/66/54/822936654.db2.gz MBEADMSMHLRFDZ-UHFFFAOYSA-N 1 0 379.495 4.076 20 0 GIADRO C[C@@H](NC(=O)NC[C@H](c1cccs1)[NH+](C)C)c1ccccc1C(F)(F)F ZINC000055087578 822936930 /nfs/dbraw/zinc/93/69/30/822936930.db2.gz ZHNHOUGKCADGSY-IUODEOHRSA-N 1 0 385.455 4.430 20 0 GIADRO CCOc1ccc2c(c1)[C@H]([NH2+][C@H](C)CC(=O)Nc1ccccc1CC)CCO2 ZINC000186698988 822940118 /nfs/dbraw/zinc/94/01/18/822940118.db2.gz VOSLAEOOAZQKRX-IIBYNOLFSA-N 1 0 382.504 4.478 20 0 GIADRO CC[C@H](C)[NH+]1CCN(C(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)CC1 ZINC000569561335 822940260 /nfs/dbraw/zinc/94/02/60/822940260.db2.gz KRWIYWPMMJYTMO-KRWDZBQOSA-N 1 0 386.540 4.153 20 0 GIADRO CC[C@@H](C)[NH+]1CCN(C(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)CC1 ZINC000569561336 822940351 /nfs/dbraw/zinc/94/03/51/822940351.db2.gz KRWIYWPMMJYTMO-QGZVFWFLSA-N 1 0 386.540 4.153 20 0 GIADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl ZINC000186705715 822941272 /nfs/dbraw/zinc/94/12/72/822941272.db2.gz YPPUVTKNTWZZFY-LDYMZIIASA-N 1 0 376.831 4.301 20 0 GIADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl ZINC000186705698 822941343 /nfs/dbraw/zinc/94/13/43/822941343.db2.gz YPPUVTKNTWZZFY-KWQFWETISA-N 1 0 376.831 4.301 20 0 GIADRO CC(C)(C)[N@@H+]1CCc2nc(NC(=O)c3cc(-c4cccs4)on3)sc2C1 ZINC000569570081 822941342 /nfs/dbraw/zinc/94/13/42/822941342.db2.gz LDTTUYRPMRYASU-UHFFFAOYSA-N 1 0 388.518 4.269 20 0 GIADRO Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1 ZINC000186710166 822941861 /nfs/dbraw/zinc/94/18/61/822941861.db2.gz VNQYPMQEDYWNRT-HNAYVOBHSA-N 1 0 388.508 4.012 20 0 GIADRO C[C@H](Sc1ccccc1Cl)C(=O)Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000569583697 822942094 /nfs/dbraw/zinc/94/20/94/822942094.db2.gz UMLGLKBXOSCSSZ-WMLDXEAASA-N 1 0 390.936 4.026 20 0 GIADRO C[C@@H]([NH3+])[C@H]1CCN(CC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)C1 ZINC000569604909 822943772 /nfs/dbraw/zinc/94/37/72/822943772.db2.gz FCFQPRIMHBOZEQ-CABCVRRESA-N 1 0 389.952 4.099 20 0 GIADRO C[C@@H](NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)c1c(F)cccc1F ZINC000457961811 822944450 /nfs/dbraw/zinc/94/44/50/822944450.db2.gz PFFKTAOYIIKSBV-GFCCVEGCSA-N 1 0 393.400 4.084 20 0 GIADRO C[C@@H]1C[N@@H+](C2CCN(Cc3nc(-c4ccccc4Cl)cs3)CC2)CCO1 ZINC000186727465 822945665 /nfs/dbraw/zinc/94/56/65/822945665.db2.gz PDJBJZDMNLSFFF-OAHLLOKOSA-N 1 0 391.968 4.149 20 0 GIADRO CC(C)c1nc([C@@H]2CCCCCN2C(=O)c2ccc(CC[NH+](C)C)cc2)no1 ZINC000569621588 822946000 /nfs/dbraw/zinc/94/60/00/822946000.db2.gz PODBAYBKAMEAJL-IBGZPJMESA-N 1 0 384.524 4.055 20 0 GIADRO C[C@@H]([NH2+]C[C@H](C)c1nccs1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000186730736 822946383 /nfs/dbraw/zinc/94/63/83/822946383.db2.gz FHNBYFJMNMTMBR-LSDHHAIUSA-N 1 0 378.563 4.314 20 0 GIADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N[C@@H](c2c(Cl)cccc2Cl)C2CC2)C1 ZINC000569626426 822946660 /nfs/dbraw/zinc/94/66/60/822946660.db2.gz JLCCKSZUXZMSRM-SCLBCKFNSA-N 1 0 384.351 4.474 20 0 GIADRO CCc1nnc(-c2cccc(NC(=O)[C@@H](c3ccccc3)[NH+](CC)CC)c2)o1 ZINC000175363975 822947204 /nfs/dbraw/zinc/94/72/04/822947204.db2.gz YQWAUKAWDBMCTC-HXUWFJFHSA-N 1 0 378.476 4.321 20 0 GIADRO C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@H](C)c1nccs1 ZINC000186743035 822948617 /nfs/dbraw/zinc/94/86/17/822948617.db2.gz MMZIXGCTZVIZQE-RYUDHWBXSA-N 1 0 387.427 4.152 20 0 GIADRO CC(C)[C@@H](C(=O)Nc1cccc2c1CN(CC(F)(F)F)C2)[NH+]1CCCCC1 ZINC000186744026 822948871 /nfs/dbraw/zinc/94/88/71/822948871.db2.gz XCENBJWXEOZNCI-SFHVURJKSA-N 1 0 383.458 4.014 20 0 GIADRO COc1cc(C)c(NC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1F ZINC000186747022 822948958 /nfs/dbraw/zinc/94/89/58/822948958.db2.gz YGDSBLQWWOKNTF-INIZCTEOSA-N 1 0 377.485 4.163 20 0 GIADRO FC(F)(F)COc1ccc(CC[NH2+][C@@H](c2ccccc2)c2ccccn2)cn1 ZINC000186748676 822949307 /nfs/dbraw/zinc/94/93/07/822949307.db2.gz BYOOFVVGRQJLCW-FQEVSTJZSA-N 1 0 387.405 4.339 20 0 GIADRO CCc1c(NC(=O)[C@H](CC)[N@H+](C)Cc2ccccc2)cnn1-c1ccccc1 ZINC000569654566 822950672 /nfs/dbraw/zinc/95/06/72/822950672.db2.gz HFMUOBSWOMXTAQ-QFIPXVFZSA-N 1 0 376.504 4.284 20 0 GIADRO C[NH+](C)Cc1c2ccccc2oc1C(=O)N1Cc2ccccc2OC(C)(C)C1 ZINC000569654765 822950693 /nfs/dbraw/zinc/95/06/93/822950693.db2.gz GTPNRIFWYPGRIV-UHFFFAOYSA-N 1 0 378.472 4.308 20 0 GIADRO CCCc1c(NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cnn1-c1cccc(C)c1 ZINC000569660554 822951774 /nfs/dbraw/zinc/95/17/74/822951774.db2.gz SHKACKBBUXCVFC-HXUWFJFHSA-N 1 0 395.551 4.225 20 0 GIADRO CCO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3 ZINC000569663519 822952422 /nfs/dbraw/zinc/95/24/22/822952422.db2.gz LRAYJKKSQJJEPS-AYRXBEOTSA-N 1 0 375.538 4.130 20 0 GIADRO CC[C@@H]1[C@H](C)CCN1C(=O)Nc1ccc(OC)c(OCC[NH+](CC)CC)c1 ZINC000186773434 822952948 /nfs/dbraw/zinc/95/29/48/822952948.db2.gz IUICOUVFKLKBDM-SJLPKXTDSA-N 1 0 377.529 4.068 20 0 GIADRO C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](C)[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000569672225 822953318 /nfs/dbraw/zinc/95/33/18/822953318.db2.gz AIWLSMDIWIJTSD-SMDDNHRTSA-N 1 0 382.348 4.252 20 0 GIADRO C[NH+]1CCN(c2ccc(NC(=O)C[C@H]3C=CCCC3)c(C(F)(F)F)c2)CC1 ZINC000186773885 822953302 /nfs/dbraw/zinc/95/33/02/822953302.db2.gz CEOGYFXVMKOXHR-HNNXBMFYSA-N 1 0 381.442 4.142 20 0 GIADRO Cc1ccc(-c2cnc(-c3ccccc3C(=O)N[C@H]3C[NH2+]CC[C@@H]3C)o2)cc1 ZINC000186783515 822954757 /nfs/dbraw/zinc/95/47/57/822954757.db2.gz BRVBEXBFDVXMCR-JXFKEZNVSA-N 1 0 375.472 4.045 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc2c(c1)OCO2 ZINC000055375129 822955781 /nfs/dbraw/zinc/95/57/81/822955781.db2.gz FTZPQCURMQXYNZ-NEPJUHHUSA-N 1 0 380.366 4.112 20 0 GIADRO COc1ccc2c(c1)CN(C(=O)C[C@@H]1CCCC[C@H]1[NH3+])[C@H](c1ccccc1)C2 ZINC000569694684 822956029 /nfs/dbraw/zinc/95/60/29/822956029.db2.gz MDZUKWVQRQWORY-PMOQBDJRSA-N 1 0 378.516 4.229 20 0 GIADRO C[C@H](C(=O)N(Cc1csc(Br)c1)C1CC1)[C@@H]([NH3+])c1ccccc1 ZINC000569697509 822956271 /nfs/dbraw/zinc/95/62/71/822956271.db2.gz QFZZUWDVARLCDN-YVEFUNNKSA-N 1 0 393.350 4.338 20 0 GIADRO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CCC(=O)Nc1cccc(Cl)c1 ZINC000175390274 822956429 /nfs/dbraw/zinc/95/64/29/822956429.db2.gz AMSAVMJCJXGMAZ-HWRSSNJWSA-N 1 0 378.925 4.099 20 0 GIADRO Cc1csc([C@@H](NC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C2CC2)n1 ZINC000175391800 822956561 /nfs/dbraw/zinc/95/65/61/822956561.db2.gz KHWXOQCWUAUYRJ-FQEVSTJZSA-N 1 0 398.576 4.175 20 0 GIADRO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000175392335 822956856 /nfs/dbraw/zinc/95/68/56/822956856.db2.gz MYCGRRJFXGXWBU-RKOGDMNLSA-N 1 0 394.581 4.064 20 0 GIADRO COC[C@@H]1CCCN(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CC1 ZINC000458086627 822956892 /nfs/dbraw/zinc/95/68/92/822956892.db2.gz AZOBJOGKCMOQRO-HXUWFJFHSA-N 1 0 387.568 4.021 20 0 GIADRO Cc1cnc([C@@H](NC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C2CC2)s1 ZINC000175393219 822957150 /nfs/dbraw/zinc/95/71/50/822957150.db2.gz JXDPCOBEBTVPTM-FQEVSTJZSA-N 1 0 398.576 4.175 20 0 GIADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccccc1SCc1cscn1 ZINC000055405013 822958017 /nfs/dbraw/zinc/95/80/17/822958017.db2.gz JINFCOBOFFYPHY-JKSUJKDBSA-N 1 0 389.590 4.286 20 0 GIADRO CC(C)[N@@H+]1CC[C@H](CNCc2csc(COc3ccc(Cl)cc3)n2)C1 ZINC000569723233 822959343 /nfs/dbraw/zinc/95/93/43/822959343.db2.gz YPPYYPJLARDFKJ-OAHLLOKOSA-N 1 0 379.957 4.195 20 0 GIADRO C[C@H]1C[C@H](NC(=O)c2ccc(-c3ccc(Br)s3)s2)CC[NH2+]1 ZINC000569723524 822959433 /nfs/dbraw/zinc/95/94/33/822959433.db2.gz LIHOZGPHJJCUJA-VHSXEESVSA-N 1 0 385.352 4.109 20 0 GIADRO CCOC(=O)c1csc(CS[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000569724043 822959448 /nfs/dbraw/zinc/95/94/48/822959448.db2.gz SXWSFPQULQPXAG-MRXNPFEDSA-N 1 0 376.547 4.218 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1cc(COC(C)(C)C)on1)CC3 ZINC000186815386 822959860 /nfs/dbraw/zinc/95/98/60/822959860.db2.gz PSXJDPJOZPCSNE-CQSZACIVSA-N 1 0 383.492 4.127 20 0 GIADRO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1c[nH]nc1-c1ccsc1 ZINC000186818109 822960521 /nfs/dbraw/zinc/96/05/21/822960521.db2.gz SVERWXHEXUYXNU-YQQQUEKLSA-N 1 0 392.528 4.064 20 0 GIADRO Cc1nccn1C[C@H](C)CNC(=O)N[C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000458126203 822960638 /nfs/dbraw/zinc/96/06/38/822960638.db2.gz BUOFMNBUKMZWNM-XIKOKIGWSA-N 1 0 378.879 4.071 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)N(C)[C@H]2C[C@H](c3cccc(OC)c3)C2)c1 ZINC000458157442 822963374 /nfs/dbraw/zinc/96/33/74/822963374.db2.gz VADZDZCCJVDSQY-HZCBDIJESA-N 1 0 395.547 4.235 20 0 GIADRO CC[C@@H]([NH2+]Cc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1)c1cccc(F)c1 ZINC000569753616 822963825 /nfs/dbraw/zinc/96/38/25/822963825.db2.gz XFVHVIJJAMIADG-OFNKIYASSA-N 1 0 395.478 4.292 20 0 GIADRO C[C@H]([NH2+][C@H]1CCCN(c2ccccc2F)C1)c1ccc(Br)cn1 ZINC000569758693 822964672 /nfs/dbraw/zinc/96/46/72/822964672.db2.gz LHSJZXYHPVYJEK-ZFWWWQNUSA-N 1 0 378.289 4.303 20 0 GIADRO O=C(NCCCCC[NH+]1CCCCC1)N1CCC(OCC2CCCC2)CC1 ZINC000175424440 822965361 /nfs/dbraw/zinc/96/53/61/822965361.db2.gz KHBCXUDJIFSIRT-UHFFFAOYSA-N 1 0 379.589 4.023 20 0 GIADRO C[C@H](Sc1ccnc2cc(Cl)ccc21)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000458173803 822965368 /nfs/dbraw/zinc/96/53/68/822965368.db2.gz BUJCPUGCBIDSLP-LSDHHAIUSA-N 1 0 391.968 4.217 20 0 GIADRO CC(C)C(=O)N1CCCC[C@H]1C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000055460189 822966117 /nfs/dbraw/zinc/96/61/17/822966117.db2.gz WBRRUAQLXMRABH-RXVVDRJESA-N 1 0 385.552 4.037 20 0 GIADRO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]C[C@@H](c2ccccc2)C(F)(F)F)cc1 ZINC000186843665 822966251 /nfs/dbraw/zinc/96/62/51/822966251.db2.gz LVBJDZUTCCBAMO-YJBOKZPZSA-N 1 0 385.451 4.093 20 0 GIADRO Cc1nc(-c2ccccc2)oc1C(=O)Nc1ccc(OCC[NH+](C)C)c(C)c1 ZINC000458188081 822966695 /nfs/dbraw/zinc/96/66/95/822966695.db2.gz BUPYHWZGOKQSIV-UHFFFAOYSA-N 1 0 379.460 4.151 20 0 GIADRO Cc1ccc2sc(C(=O)Nc3ccc(N4CCC([NH+](C)C)CC4)cn3)cc2c1 ZINC000569774214 822967060 /nfs/dbraw/zinc/96/70/60/822967060.db2.gz XZSYVWVUSIVTCB-UHFFFAOYSA-N 1 0 394.544 4.387 20 0 GIADRO CS(=O)(=O)CCCCC[NH2+][C@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000186851300 822967866 /nfs/dbraw/zinc/96/78/66/822967866.db2.gz MFIPHGPFOLRFKI-IBGZPJMESA-N 1 0 383.916 4.373 20 0 GIADRO Cc1ccc(-c2nc(CC(=O)Nc3ccc(OCC[NH+](C)C)c(C)c3)cs2)o1 ZINC000458200221 822967950 /nfs/dbraw/zinc/96/79/50/822967950.db2.gz SOGNXQNXVSBRQX-UHFFFAOYSA-N 1 0 399.516 4.142 20 0 GIADRO O=C(CC(Cc1ccccc1)Cc1ccccc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000175435500 822968422 /nfs/dbraw/zinc/96/84/22/822968422.db2.gz CQJCMXQMQKFJDD-DEOSSOPVSA-N 1 0 390.571 4.422 20 0 GIADRO CCc1ccc([C@H]2CCN(C(=O)Nc3cc(C)nn3C3CC[NH+](C)CC3)C2)cc1 ZINC000569786144 822968836 /nfs/dbraw/zinc/96/88/36/822968836.db2.gz JXWOZFIOSJMYMH-FQEVSTJZSA-N 1 0 395.551 4.042 20 0 GIADRO C[C@@H](CCNC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)c1ccccc1 ZINC000458210548 822969098 /nfs/dbraw/zinc/96/90/98/822969098.db2.gz GRYABOXVFZVBLU-INIZCTEOSA-N 1 0 385.474 4.238 20 0 GIADRO CC(=O)c1ccc(Oc2ccc(C(=O)NCC[C@H]3CCC[N@@H+](C)C3)cc2)cc1 ZINC000458210984 822969149 /nfs/dbraw/zinc/96/91/49/822969149.db2.gz LMQUTOKIGAXEBT-GOSISDBHSA-N 1 0 380.488 4.143 20 0 GIADRO Fc1ccc(C2(C[NH2+]C3CCN(Cc4cccnc4)CC3)CCCC2)c(F)c1 ZINC000186858424 822969260 /nfs/dbraw/zinc/96/92/60/822969260.db2.gz VTUKMSMFSSUGFI-UHFFFAOYSA-N 1 0 385.502 4.426 20 0 GIADRO Cc1ccc(C[NH2+]C[C@H](c2ccccc2Cl)N(C)C)c(-c2cnn(C)c2)c1 ZINC000569791233 822969725 /nfs/dbraw/zinc/96/97/25/822969725.db2.gz FPYYIJMWTLSVTR-JOCHJYFZSA-N 1 0 382.939 4.441 20 0 GIADRO CS(=O)(=O)C1CCC([NH2+][C@@H](Cc2ccc(F)cc2)c2ccccc2)CC1 ZINC000569801128 822970942 /nfs/dbraw/zinc/97/09/42/822970942.db2.gz YWPOAEGAQOQTSI-CBNMVNINSA-N 1 0 375.509 4.055 20 0 GIADRO Cc1cc(NC(=O)c2ccsc2Br)ccc1OCC[NH+](C)C ZINC000458226402 822971145 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20 0 GIADRO Cc1cc(NC(=O)c2cccc(C(=O)N(C)CC(C)(C)C)c2)ccc1C[NH+](C)C ZINC000458263261 822975285 /nfs/dbraw/zinc/97/52/85/822975285.db2.gz AYIWQHDQEZYHNN-UHFFFAOYSA-N 1 0 395.547 4.427 20 0 GIADRO CCC(=O)c1ccc(OCCCCc2nc(-c3ccc(C[NH3+])cc3)no2)cc1 ZINC000569845466 822975327 /nfs/dbraw/zinc/97/53/27/822975327.db2.gz PJTCLFNUDNHVCI-UHFFFAOYSA-N 1 0 379.460 4.190 20 0 GIADRO COc1ccc(COC[C@@H](O)C[NH2+][C@@H](C)c2nc(-c3ccccc3)cs2)cc1 ZINC000569855568 822976377 /nfs/dbraw/zinc/97/63/77/822976377.db2.gz ACAOUJNINWEXFZ-LPHOPBHVSA-N 1 0 398.528 4.047 20 0 GIADRO Cc1cc(NC(=O)CCCc2nc(-c3cccs3)no2)ccc1C[NH+](C)C ZINC000458278548 822977132 /nfs/dbraw/zinc/97/71/32/822977132.db2.gz JLJDDRGCWDUCNR-UHFFFAOYSA-N 1 0 384.505 4.130 20 0 GIADRO Cn1c(C[NH2+]C[C@]2(C)OCCc3sccc32)nc2cc(C(F)(F)F)ccc21 ZINC000569860876 822977549 /nfs/dbraw/zinc/97/75/49/822977549.db2.gz NUWJYEXAXMNRPY-SFHVURJKSA-N 1 0 395.450 4.231 20 0 GIADRO C[C@H]([NH2+]C[C@@H](c1cccc(F)c1)N(C)C)c1ncc(Br)cc1F ZINC000186906495 822977686 /nfs/dbraw/zinc/97/76/86/822977686.db2.gz XFUXOXQXDFDSHC-ZBEGNZNMSA-N 1 0 384.268 4.076 20 0 GIADRO Cc1nc(CCCC(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)cs1 ZINC000175475031 822977890 /nfs/dbraw/zinc/97/78/90/822977890.db2.gz IHIDLMNKQIZZFG-LJQANCHMSA-N 1 0 391.968 4.381 20 0 GIADRO C[C@@H](NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000175476384 822978153 /nfs/dbraw/zinc/97/81/53/822978153.db2.gz MFQONDJAAQBAOL-MRXNPFEDSA-N 1 0 387.474 4.332 20 0 GIADRO Fc1ccc(-c2cc(C[N@H+](Cc3ccc(-n4cncn4)cc3)C3CC3)on2)cc1 ZINC000569870379 822978530 /nfs/dbraw/zinc/97/85/30/822978530.db2.gz ADSBXBZXURADAZ-UHFFFAOYSA-N 1 0 389.434 4.226 20 0 GIADRO COc1ccc([C@H](CCn2cncn2)[NH2+]C[C@H](c2ccccc2)C2CC2)cc1 ZINC000569872088 822978796 /nfs/dbraw/zinc/97/87/96/822978796.db2.gz BFPWPUFNUFWXQG-PKTZIBPZSA-N 1 0 376.504 4.202 20 0 GIADRO CC(C)[C@@H]1CCC[C@@H](NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000458296240 822980026 /nfs/dbraw/zinc/98/00/26/822980026.db2.gz QWDQGSRZNUNOMH-HZPDHXFCSA-N 1 0 377.495 4.259 20 0 GIADRO CC(=O)N(c1ccc(NC(=O)c2cccc(C[NH+]3CCCC3)c2)cc1)[C@@H]1C[C@H]1C ZINC000569881072 822980157 /nfs/dbraw/zinc/98/01/57/822980157.db2.gz XJDZXVVVKJXCNT-UZUQRXQVSA-N 1 0 391.515 4.296 20 0 GIADRO Cc1cc(NC(=O)CCc2ncc(-c3ccccc3F)o2)ccc1C[NH+](C)C ZINC000458297503 822980261 /nfs/dbraw/zinc/98/02/61/822980261.db2.gz YYOUULASSQOZMP-UHFFFAOYSA-N 1 0 381.451 4.422 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](c1ccco1)N1CCCCC1)c1ncc(Br)cc1F ZINC000186921483 822980447 /nfs/dbraw/zinc/98/04/47/822980447.db2.gz IXRBYCYBLWMNFB-CJNGLKHVSA-N 1 0 396.304 4.454 20 0 GIADRO Cc1cc(Br)cc([C@H](C)[NH2+]Cc2ccc3c(c2)OCCO3)c1O ZINC000186926089 822981369 /nfs/dbraw/zinc/98/13/69/822981369.db2.gz CYCSGSPOPPZIHP-LBPRGKRZSA-N 1 0 378.266 4.085 20 0 GIADRO Cc1ccc(-c2cc(C[NH+]3CCC(O)(Cc4cccc(F)c4)CC3)on2)cc1 ZINC000186932042 822982654 /nfs/dbraw/zinc/98/26/54/822982654.db2.gz XYBNZMCMAJIVKR-UHFFFAOYSA-N 1 0 380.463 4.359 20 0 GIADRO CC(C)c1ccc(-c2nc(CN3CC[NH+](C4CCOCC4)CC3)cs2)cc1 ZINC000175498360 822983859 /nfs/dbraw/zinc/98/38/59/822983859.db2.gz KKTZAOCOSVBCTO-UHFFFAOYSA-N 1 0 385.577 4.230 20 0 GIADRO Brc1ccn2cc(C[NH2+][C@@H]3CCOC4(CCCCC4)C3)nc2c1 ZINC000569916513 822985505 /nfs/dbraw/zinc/98/55/05/822985505.db2.gz MELQQCOLFMVJGM-OAHLLOKOSA-N 1 0 378.314 4.068 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)C1(Cc2cccc(Cl)c2)CC1 ZINC000569917551 822985791 /nfs/dbraw/zinc/98/57/91/822985791.db2.gz SEVYALVLXIUODR-UHFFFAOYSA-N 1 0 398.934 4.258 20 0 GIADRO Cc1cccc([C@H](C)NC(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)c1 ZINC000458364179 822987270 /nfs/dbraw/zinc/98/72/70/822987270.db2.gz DQKAZQNMWONPAO-PMACEKPBSA-N 1 0 395.547 4.255 20 0 GIADRO CCSCC[C@H](C)N(C)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000175513434 822988117 /nfs/dbraw/zinc/98/81/17/822988117.db2.gz AFBVXFSFICOSLM-BQFCYCMXSA-N 1 0 383.627 4.304 20 0 GIADRO CN(Cc1ncc(-c2ccc(Br)cc2)o1)CC1([NH+](C)C)CCC1 ZINC000186963889 822988347 /nfs/dbraw/zinc/98/83/47/822988347.db2.gz JYQQGMNSXMOZST-UHFFFAOYSA-N 1 0 378.314 4.020 20 0 GIADRO CC(C)[C@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)NCC(C)(C)C(C)(C)C)c2C1 ZINC000569948673 822988791 /nfs/dbraw/zinc/98/87/91/822988791.db2.gz XIAYNSFGEMPNDQ-INIZCTEOSA-N 1 0 387.568 4.174 20 0 GIADRO CCCOc1ccccc1Oc1ncccc1CNC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000569966290 822990687 /nfs/dbraw/zinc/99/06/87/822990687.db2.gz QPSAEPKNUJFTKQ-IEBWSBKVSA-N 1 0 397.519 4.187 20 0 GIADRO Cc1cnc(C(C)(C)NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)s1 ZINC000175525454 822990809 /nfs/dbraw/zinc/99/08/09/822990809.db2.gz AFOBELLCXNBXEF-YQQQUEKLSA-N 1 0 398.576 4.181 20 0 GIADRO Cc1ccc(OCc2nc(CN3CC[C@@H](C4CC[NH+](C)CC4)C3)cs2)cc1 ZINC000569968668 822990924 /nfs/dbraw/zinc/99/09/24/822990924.db2.gz JVZXNQTWSQRKHP-LJQANCHMSA-N 1 0 385.577 4.194 20 0 GIADRO COc1ccccc1NC(=O)C[NH2+]C(C)(C)c1ccc(Br)c(C)c1 ZINC000569973040 822991817 /nfs/dbraw/zinc/99/18/17/822991817.db2.gz URZOWQROGDHBLU-UHFFFAOYSA-N 1 0 391.309 4.230 20 0 GIADRO O=C(CCC(F)(F)F)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000175531673 822991881 /nfs/dbraw/zinc/99/18/81/822991881.db2.gz ZRUSNXHADNLMQS-HNNXBMFYSA-N 1 0 396.375 4.242 20 0 GIADRO CSc1ccccc1CC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000569974657 822991972 /nfs/dbraw/zinc/99/19/72/822991972.db2.gz GROZHTZKYJNPPI-FQEVSTJZSA-N 1 0 382.573 4.370 20 0 GIADRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)[C@H]1CC[C@H](C)CC1 ZINC000569977184 822992337 /nfs/dbraw/zinc/99/23/37/822992337.db2.gz GGNMKSSVZYXQET-DUXKGJEZSA-N 1 0 380.536 4.403 20 0 GIADRO COc1c2ccccc2[nH]c1C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000569980769 822992827 /nfs/dbraw/zinc/99/28/27/822992827.db2.gz XTOKRBYZTNFTHA-IBGZPJMESA-N 1 0 391.515 4.209 20 0 GIADRO COc1ccc2c(CC(=O)N[C@@H](C[NH+](C)C)c3ccc(Cl)cc3)coc2c1 ZINC000569990372 822993957 /nfs/dbraw/zinc/99/39/57/822993957.db2.gz DCRUTCGTUTWPOZ-IBGZPJMESA-N 1 0 386.879 4.056 20 0 GIADRO Cc1cnc(C(C)(C)NC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)s1 ZINC000175545291 822994514 /nfs/dbraw/zinc/99/45/14/822994514.db2.gz BIABWAIBRURRHB-INIZCTEOSA-N 1 0 386.565 4.211 20 0 GIADRO O=C(N[C@@H](c1ccc(Cl)cc1)C1CC1)NC1CC[NH+](C2CCCC2)CC1 ZINC000175546248 822994749 /nfs/dbraw/zinc/99/47/49/822994749.db2.gz UVQOPEHOAAARAM-HXUWFJFHSA-N 1 0 375.944 4.497 20 0 GIADRO COc1ccccc1[C@@H]1CCN(C(=O)N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)C1 ZINC000569998880 822994830 /nfs/dbraw/zinc/99/48/30/822994830.db2.gz IQTQSVZBLZIYCE-DNVFCKCGSA-N 1 0 395.547 4.194 20 0 GIADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)c2cc3c(cc(F)cc3C)[nH]2)c1 ZINC000570000898 822995179 /nfs/dbraw/zinc/99/51/79/822995179.db2.gz FLKLYHALGSDEBR-UHFFFAOYSA-N 1 0 396.466 4.148 20 0 GIADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)Cc1cccc(OC(F)F)c1 ZINC000570009246 822996177 /nfs/dbraw/zinc/99/61/77/822996177.db2.gz UAIKOZMRXUUFOH-LJQANCHMSA-N 1 0 375.463 4.170 20 0 GIADRO C[C@H]1OCC[C@@]1(O)C[N@H+](Cc1cnc(C2CCCC2)s1)Cc1ccccc1 ZINC000570008512 822996185 /nfs/dbraw/zinc/99/61/85/822996185.db2.gz DARBJXUIFGJRSN-VGOFRKELSA-N 1 0 386.561 4.343 20 0 GIADRO Cc1nn(C)c2ncc(C[NH2+][C@H](c3ccccc3)C3(CO)CCCCC3)cc12 ZINC000570024127 822998354 /nfs/dbraw/zinc/99/83/54/822998354.db2.gz PTZDTLLVHBFQEM-OAQYLSRUSA-N 1 0 378.520 4.050 20 0 GIADRO COc1ccccc1-c1ncc(CNc2cccc3c2OCC[C@@H]3[NH+](C)C)cn1 ZINC000570023684 822998388 /nfs/dbraw/zinc/99/83/88/822998388.db2.gz WKODRSFXPPIAAG-FQEVSTJZSA-N 1 0 390.487 4.150 20 0 GIADRO Cc1cnc([C@H](NC(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)C2CC2)s1 ZINC000175580156 823001566 /nfs/dbraw/zinc/00/15/66/823001566.db2.gz SWDCOIUPWGVOLB-DNVCBOLYSA-N 1 0 386.565 4.112 20 0 GIADRO CS(=O)(=O)C1(C[NH2+][C@@H]2CCCc3nc(-c4ccccc4)sc32)CCCC1 ZINC000570067493 823002633 /nfs/dbraw/zinc/00/26/33/823002633.db2.gz UKCMECOCLAOVSQ-MRXNPFEDSA-N 1 0 390.574 4.135 20 0 GIADRO C/C(=C\c1ccccc1OC(F)F)C[NH2+][C@@H]1CCC[C@H](C(=O)NC(C)C)C1 ZINC000570087955 823004703 /nfs/dbraw/zinc/00/47/03/823004703.db2.gz IVNJOBPGZYKBNP-WSAUZFIISA-N 1 0 380.479 4.364 20 0 GIADRO COc1cccc([C@@H]2[C@@H]([NH2+][C@@H](C)c3ccc(OC)c(O)c3)CCN2C2CC2)c1 ZINC000570090644 823004861 /nfs/dbraw/zinc/00/48/61/823004861.db2.gz VGOOTKHRNIPTDP-RWAHWCJQSA-N 1 0 382.504 4.038 20 0 GIADRO COCC1(CC[NH2+]Cc2ccc(Br)c(Br)c2)CC1 ZINC000570092003 823005087 /nfs/dbraw/zinc/00/50/87/823005087.db2.gz PQFWZGMDELZXMG-UHFFFAOYSA-N 1 0 377.120 4.118 20 0 GIADRO CSc1ccc(C[NH+]2CCC(C(=O)NCCc3cccs3)CC2)s1 ZINC000570092662 823005335 /nfs/dbraw/zinc/00/53/35/823005335.db2.gz CHUVFLBOHYHODH-UHFFFAOYSA-N 1 0 380.604 4.102 20 0 GIADRO CCc1nc(C)c([C@H](C)[N@H+](C)C[C@H](O)CO[C@H]2CCCc3ccccc32)s1 ZINC000570094514 823005341 /nfs/dbraw/zinc/00/53/41/823005341.db2.gz CIKUJXCEZALOQN-QRFRQXIXSA-N 1 0 388.577 4.462 20 0 GIADRO CC[C@H](CNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)c1ccccc1 ZINC000175608760 823006044 /nfs/dbraw/zinc/00/60/44/823006044.db2.gz YLQNWFHNLVORRQ-OAQYLSRUSA-N 1 0 379.548 4.486 20 0 GIADRO COc1ccc(C2CC[NH+](C[C@@H]3CCN(C(=O)c4ccccc4)C3)CC2)cc1 ZINC000570109452 823006411 /nfs/dbraw/zinc/00/64/11/823006411.db2.gz RJGHYJBYLPLPET-IBGZPJMESA-N 1 0 378.516 4.037 20 0 GIADRO C[C@@H]([NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1)C1CCSCC1 ZINC000187073154 823006852 /nfs/dbraw/zinc/00/68/52/823006852.db2.gz VZJQGVYASUYRJA-HUUCEWRRSA-N 1 0 383.399 4.397 20 0 GIADRO CC[C@H](C)[NH2+][C@H](CNC(=O)[C@@H](C)c1ccc(C(=O)C(C)C)cc1)c1ccco1 ZINC000570119025 823007465 /nfs/dbraw/zinc/00/74/65/823007465.db2.gz ASKAXIRVZWUQJB-ABSDTBQOSA-N 1 0 384.520 4.467 20 0 GIADRO C[C@H](C[NH2+][C@@H](C)c1ncc(Br)cc1F)N1CCc2ccccc2C1 ZINC000187086076 823008762 /nfs/dbraw/zinc/00/87/62/823008762.db2.gz KFEHYPDINOBONT-KGLIPLIRSA-N 1 0 392.316 4.081 20 0 GIADRO CCN(CC)C(=O)c1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2c2ccccc2)cc1 ZINC000570135314 823008967 /nfs/dbraw/zinc/00/89/67/823008967.db2.gz MYYFEMAMTFFPFQ-JOCHJYFZSA-N 1 0 393.531 4.334 20 0 GIADRO CCCC(=O)Nc1cccc(NC(=O)NC[C@H](C(CC)CC)[NH+](C)C)c1C ZINC000175640047 823011267 /nfs/dbraw/zinc/01/12/67/823011267.db2.gz KVNFSUDBANVZPX-LJQANCHMSA-N 1 0 376.545 4.222 20 0 GIADRO CC[N@H+](CCC1CCN(c2nnc(-c3ccccn3)n2C2CC2)CC1)CC1CC1 ZINC000570170438 823012059 /nfs/dbraw/zinc/01/20/59/823012059.db2.gz QRSUQCOCBCYWAO-UHFFFAOYSA-N 1 0 394.567 4.013 20 0 GIADRO COc1cc([C@H](C)[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)ccc1OCC(C)C ZINC000187111457 823012061 /nfs/dbraw/zinc/01/20/61/823012061.db2.gz NZYIEXMOCVCZSG-KRWDZBQOSA-N 1 0 396.531 4.490 20 0 GIADRO O=C(Nc1cccc2c1CC[NH2+]C2)N1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000570183952 823013233 /nfs/dbraw/zinc/01/32/33/823013233.db2.gz DBVHAGXXGHPTTD-INIZCTEOSA-N 1 0 385.895 4.061 20 0 GIADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CCCCOc1ccc(F)cc1 ZINC000187119116 823013442 /nfs/dbraw/zinc/01/34/42/823013442.db2.gz YIPARTQBZBTRDF-UHFFFAOYSA-N 1 0 399.915 4.222 20 0 GIADRO CCN(C(=O)NCc1ccc(F)c(C[NH+](C)C)c1)[C@@H](C)Cc1ccsc1 ZINC000187124326 823014112 /nfs/dbraw/zinc/01/41/12/823014112.db2.gz NYJIKWAMSVKIKO-HNNXBMFYSA-N 1 0 377.529 4.112 20 0 GIADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 ZINC000175659457 823014746 /nfs/dbraw/zinc/01/47/46/823014746.db2.gz NGTIZEYFYIQNDW-FQEVSTJZSA-N 1 0 394.943 4.393 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3occc3Br)cc2)C1 ZINC000175660610 823014858 /nfs/dbraw/zinc/01/48/58/823014858.db2.gz SEAXACCQHVXBGV-AWEZNQCLSA-N 1 0 391.309 4.204 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3occc3Br)cc2)C1 ZINC000175660585 823014916 /nfs/dbraw/zinc/01/49/16/823014916.db2.gz SEAXACCQHVXBGV-CQSZACIVSA-N 1 0 391.309 4.204 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)N[C@@H](c2ccccc2)C2CC2)CC1 ZINC000175665118 823015703 /nfs/dbraw/zinc/01/57/03/823015703.db2.gz HAPAOQHQYTVFGJ-QHCPKHFHSA-N 1 0 377.532 4.444 20 0 GIADRO CCOc1ccc(NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c(C(F)(F)F)c1 ZINC000175679728 823018903 /nfs/dbraw/zinc/01/89/03/823018903.db2.gz DUJATBSDPCZZCP-CQSZACIVSA-N 1 0 387.446 4.442 20 0 GIADRO C[C@@H]1CN(c2ccc(C[NH2+]Cc3cscc3C(F)(F)F)cn2)C[C@H](C)O1 ZINC000570250243 823019122 /nfs/dbraw/zinc/01/91/22/823019122.db2.gz MUUBBTPRRRIOHV-BETUJISGSA-N 1 0 385.455 4.065 20 0 GIADRO Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@@H]2[C@@H](c3ccccc3)C2(C)C)CC1 ZINC000570258319 823020271 /nfs/dbraw/zinc/02/02/71/823020271.db2.gz IQUXQBWJGRZVMT-IFMALSPDSA-N 1 0 377.532 4.162 20 0 GIADRO Cc1ccc2oc(CN(Cc3ccco3)C(=O)NCCC[NH2+]C(C)C)cc2c1 ZINC000570265283 823020791 /nfs/dbraw/zinc/02/07/91/823020791.db2.gz RATCWARMEKTIFZ-UHFFFAOYSA-N 1 0 383.492 4.434 20 0 GIADRO Cc1cc(C(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)ccc1NC(=O)CC(C)C ZINC000187176894 823021081 /nfs/dbraw/zinc/02/10/81/823021081.db2.gz MIYPFGXUWJOIHA-FDDCHVKYSA-N 1 0 395.547 4.401 20 0 GIADRO CC[C@@H](Oc1ccccc1F)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000175691815 823021584 /nfs/dbraw/zinc/02/15/84/823021584.db2.gz PJYIPNKWRFQKMA-DYESRHJHSA-N 1 0 384.495 4.325 20 0 GIADRO C[C@@H](NC(=O)CCc1ncc(-c2ccccc2)o1)[C@H](c1ccccc1)[NH+](C)C ZINC000187183924 823022132 /nfs/dbraw/zinc/02/21/32/823022132.db2.gz HEMGWIWJZFSMBH-UZUQRXQVSA-N 1 0 377.488 4.082 20 0 GIADRO C[C@H]([NH2+]Cc1ccccc1Sc1ccccc1)C1CCS(=O)(=O)CC1 ZINC000187184771 823022144 /nfs/dbraw/zinc/02/21/44/823022144.db2.gz NJPLFPLHRPWBKG-INIZCTEOSA-N 1 0 375.559 4.141 20 0 GIADRO Cn1ccnc1[C@@H]1C[C@@H]([NH2+][C@@H](Cc2cccnc2)c2cccc(Cl)c2)CCO1 ZINC000570283644 823022236 /nfs/dbraw/zinc/02/22/36/823022236.db2.gz BDXWXXGZVRDCKX-ACRUOGEOSA-N 1 0 396.922 4.262 20 0 GIADRO Cn1ccnc1[C@@H]1C[C@H]([NH2+][C@H](Cc2cccnc2)c2cccc(Cl)c2)CCO1 ZINC000570283647 823022310 /nfs/dbraw/zinc/02/23/10/823022310.db2.gz BDXWXXGZVRDCKX-NJYVYQBISA-N 1 0 396.922 4.262 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)CC[N@@H+]1C ZINC000175700475 823023180 /nfs/dbraw/zinc/02/31/80/823023180.db2.gz JCQYPVRTAUVKDA-WBVHZDCISA-N 1 0 378.948 4.277 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)Cc2csc(-c3ccoc3)n2)CC1 ZINC000175703035 823023583 /nfs/dbraw/zinc/02/35/83/823023583.db2.gz ZKSMXDMXZAMHLG-UHFFFAOYSA-N 1 0 395.528 4.069 20 0 GIADRO CCOC(=O)Nc1ccc(NC(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)cc1 ZINC000175713736 823025778 /nfs/dbraw/zinc/02/57/78/823025778.db2.gz ZKQNJJTUVMFWPL-KRWDZBQOSA-N 1 0 398.507 4.287 20 0 GIADRO CC(C)Oc1ccc([C@@H](O)C[NH2+][C@@H](C)c2ncc(Br)cc2F)cc1 ZINC000187215764 823026260 /nfs/dbraw/zinc/02/62/60/823026260.db2.gz VLQFFMHHPGLILX-SJCJKPOMSA-N 1 0 397.288 4.155 20 0 GIADRO COCC1(CC(=O)Nc2ccc(C[N@H+](C[C@H]3CCCCO3)C(C)C)cc2)CC1 ZINC000570332744 823026516 /nfs/dbraw/zinc/02/65/16/823026516.db2.gz SBQZCFPTRGDIIQ-OAQYLSRUSA-N 1 0 388.552 4.221 20 0 GIADRO CC[C@H](C)n1ncc(NC(=O)N(Cc2ccncc2)C[C@H]2CCC[N@@H+]2CC)c1C ZINC000570340908 823027008 /nfs/dbraw/zinc/02/70/08/823027008.db2.gz RPUWFKWMDYYEOF-FXAWDEMLSA-N 1 0 398.555 4.076 20 0 GIADRO CC[NH+](CC)[C@H](C(=O)Nc1cc(OC)c(Cl)cc1OC)c1ccccc1 ZINC000175728956 823027841 /nfs/dbraw/zinc/02/78/41/823027841.db2.gz SFBAIZAWBRNWIU-IBGZPJMESA-N 1 0 376.884 4.379 20 0 GIADRO CC(C)N(Cc1ccccc1)C(=O)C[NH+]1CCC(OCC2CCCCC2)CC1 ZINC000570355234 823028398 /nfs/dbraw/zinc/02/83/98/823028398.db2.gz MCCUXMUXEKOGSQ-UHFFFAOYSA-N 1 0 386.580 4.485 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccccc2N(C)Cc2ccccc2)CC[N@@H+]1C ZINC000175733281 823028840 /nfs/dbraw/zinc/02/88/40/823028840.db2.gz DYLBOVNVBPGXDW-UYAOXDASSA-N 1 0 380.536 4.269 20 0 GIADRO C[C@H](Oc1ccccc1NC(=O)NCCC[NH+]1CCC(C)CC1)C(F)(F)F ZINC000570361968 823028947 /nfs/dbraw/zinc/02/89/47/823028947.db2.gz LHIGGVZWLRRVSF-HNNXBMFYSA-N 1 0 387.446 4.260 20 0 GIADRO CN1c2ccc(C[NH2+]CCCO[C@H]3CCCc4ccccc43)cc2CCC1=O ZINC000187240110 823029110 /nfs/dbraw/zinc/02/91/10/823029110.db2.gz QSFURWQWPGNRNM-QHCPKHFHSA-N 1 0 378.516 4.170 20 0 GIADRO C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)Nc1ccc(C(=O)Nc3ccccc3)cc1)C2 ZINC000175743363 823030546 /nfs/dbraw/zinc/03/05/46/823030546.db2.gz JVPNUNYBYJCCDQ-SEJPIABJSA-N 1 0 392.503 4.076 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCCc3nc4ccccc4s3)ccc21 ZINC000570373555 823030954 /nfs/dbraw/zinc/03/09/54/823030954.db2.gz GGWYXTBEJDDKBH-GOSISDBHSA-N 1 0 380.517 4.209 20 0 GIADRO CSC1(CNC(=O)N[C@H](CC2CCC2)c2ccccc2)CC[NH+](C)CC1 ZINC000570374347 823031148 /nfs/dbraw/zinc/03/11/48/823031148.db2.gz VFRYYHSABHNVDP-LJQANCHMSA-N 1 0 375.582 4.045 20 0 GIADRO C[N@H+](C[C@H](O)c1ccc(F)cc1Cl)C1CCN(Cc2ccccc2)CC1 ZINC000187256837 823031510 /nfs/dbraw/zinc/03/15/10/823031510.db2.gz MIWMXIGLWFMAKJ-NRFANRHFSA-N 1 0 376.903 4.109 20 0 GIADRO C[C@@H](NC(=O)c1c(F)cc(Br)cc1F)[C@@H](c1ccccc1)[NH+](C)C ZINC000187259125 823031800 /nfs/dbraw/zinc/03/18/00/823031800.db2.gz HLZIJSRDIPCMCK-DIFFPNOSSA-N 1 0 397.263 4.149 20 0 GIADRO COc1cc(C[NH2+][C@@H](C)c2cccc(OC(F)(F)F)c2)cc2c1OCCO2 ZINC000175752414 823031940 /nfs/dbraw/zinc/03/19/40/823031940.db2.gz RZAUCCQKKDGVSG-LBPRGKRZSA-N 1 0 383.366 4.216 20 0 GIADRO COc1ccc(C(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)cc1-c1ccccn1 ZINC000187260593 823032162 /nfs/dbraw/zinc/03/21/62/823032162.db2.gz JGCCYSXZHFIWPD-GAJHUEQPSA-N 1 0 389.499 4.178 20 0 GIADRO CC(C)(C)[NH+]1CCC(NC(=O)N2CC[C@@H](CSc3ccccc3)C2)CC1 ZINC000175755511 823032500 /nfs/dbraw/zinc/03/25/00/823032500.db2.gz METYGPPMUAMRLB-QGZVFWFLSA-N 1 0 375.582 4.073 20 0 GIADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)[C@@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000458374486 823033895 /nfs/dbraw/zinc/03/38/95/823033895.db2.gz JMNVGXFXUPUKGP-AZUAARDMSA-N 1 0 397.567 4.041 20 0 GIADRO C[C@H](CNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)Cc1cccs1 ZINC000175762517 823034076 /nfs/dbraw/zinc/03/40/76/823034076.db2.gz CSZWKJUGEJZRJT-SFHVURJKSA-N 1 0 385.577 4.233 20 0 GIADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]C[C@@H](C)Sc1ccccc1 ZINC000187270601 823034241 /nfs/dbraw/zinc/03/42/41/823034241.db2.gz YADGJYYEPUSNTR-CQSZACIVSA-N 1 0 383.966 4.404 20 0 GIADRO C[C@@H](NC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1)c1nc2c(s1)CCC2 ZINC000458383001 823034708 /nfs/dbraw/zinc/03/47/08/823034708.db2.gz YRKRIQQJXWKGLL-HUUCEWRRSA-N 1 0 386.565 4.121 20 0 GIADRO O[C@@H](C[NH2+]C1(c2nccs2)CCCC1)c1ccc(F)c(Br)c1 ZINC000187274362 823035215 /nfs/dbraw/zinc/03/52/15/823035215.db2.gz JFJUOKGNBWXFDM-AWEZNQCLSA-N 1 0 385.302 4.137 20 0 GIADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)N[C@@H](Cc3ccccc3)c3cccs3)C2)C1 ZINC000458390228 823035645 /nfs/dbraw/zinc/03/56/45/823035645.db2.gz GNCYCSBNMOHREJ-SIKLNZKXSA-N 1 0 383.561 4.159 20 0 GIADRO COc1ccc([C@@H](C)N(C)C(=O)NCC2CC[NH+](CCC(C)C)CC2)cc1 ZINC000175770096 823036059 /nfs/dbraw/zinc/03/60/59/823036059.db2.gz FCYUYQDBRVEQDD-GOSISDBHSA-N 1 0 375.557 4.156 20 0 GIADRO Cc1ccc(NC(=O)N2Cc3ccccc3C3(CC3)C2)c(OCC[NH+](C)C)c1 ZINC000187283163 823036439 /nfs/dbraw/zinc/03/64/39/823036439.db2.gz XEENBEZIOKXYOR-UHFFFAOYSA-N 1 0 379.504 4.015 20 0 GIADRO CC[NH2+]Cc1ccccc1NC(=O)N[C@H]1c2ccccc2CC12CCOCC2 ZINC000570424819 823036482 /nfs/dbraw/zinc/03/64/82/823036482.db2.gz BVPGNTNNRJSMFB-NRFANRHFSA-N 1 0 379.504 4.012 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)Nc2ccc(OCc3ccccc3F)cc2)CC[N@@H+]1C ZINC000175771427 823036598 /nfs/dbraw/zinc/03/65/98/823036598.db2.gz CVUGSWFJFLPPGK-QFBILLFUSA-N 1 0 385.483 4.351 20 0 GIADRO C[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)[C@H]1C ZINC000458404226 823037023 /nfs/dbraw/zinc/03/70/23/823037023.db2.gz STTPRFPNBBBVIB-OAOQPFQOSA-N 1 0 383.458 4.138 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCc3ccc(F)c(F)c32)[C@H]1c1cccs1 ZINC000458417122 823038166 /nfs/dbraw/zinc/03/81/66/823038166.db2.gz FMSMVSRNIOEPED-KDOFPFPSSA-N 1 0 391.487 4.182 20 0 GIADRO CC[C@H](Oc1ccccc1F)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000175779304 823038268 /nfs/dbraw/zinc/03/82/68/823038268.db2.gz ZHOPZBZLZXWPNV-SYNHAJSKSA-N 1 0 390.524 4.244 20 0 GIADRO Cc1nc(-c2cccc(NC(=O)NCC[C@@H](C)[N@H+](C)Cc3ccccc3)c2)no1 ZINC000175780027 823038482 /nfs/dbraw/zinc/03/84/82/823038482.db2.gz BYAOPCOXFXSSKB-MRXNPFEDSA-N 1 0 393.491 4.077 20 0 GIADRO Cc1ccc(C[NH2+][C@@H](C)C2CCS(=O)(=O)CC2)c(O[C@H](C)CC(C)C)c1 ZINC000187301271 823039621 /nfs/dbraw/zinc/03/96/21/823039621.db2.gz LETWUAVMOWWENO-MSOLQXFVSA-N 1 0 381.582 4.111 20 0 GIADRO C[C@@H](CC(=O)N(C)Cc1ccc(Br)cc1Cl)C1CC[NH2+]CC1 ZINC000570449318 823039988 /nfs/dbraw/zinc/03/99/88/823039988.db2.gz WKXDDWMVYJLXBP-LBPRGKRZSA-N 1 0 387.749 4.087 20 0 GIADRO C[C@@H]1CCCC[C@H]1CCNC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458439134 823040440 /nfs/dbraw/zinc/04/04/40/823040440.db2.gz ZXYPRDXFGXFXGC-CVEARBPZSA-N 1 0 377.495 4.261 20 0 GIADRO O[C@H](C[C@@H]1CCC[N@@H+]1C[C@H](O)c1ccc(F)cc1Cl)c1ccc(F)cc1 ZINC000187306950 823040579 /nfs/dbraw/zinc/04/05/79/823040579.db2.gz HXUAXAJYAJZFJC-DBVUQKKJSA-N 1 0 381.850 4.240 20 0 GIADRO CC1CC[NH+](Cc2ccc(CNC(=O)N3CCC([C@@H]4CCCO4)CC3)cc2)CC1 ZINC000187310068 823040938 /nfs/dbraw/zinc/04/09/38/823040938.db2.gz CEBQIWRVMQBOTK-QHCPKHFHSA-N 1 0 399.579 4.019 20 0 GIADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000570465706 823041398 /nfs/dbraw/zinc/04/13/98/823041398.db2.gz PIOFPFAYVXPLST-MORSLUCNSA-N 1 0 383.458 4.138 20 0 GIADRO CS(=O)(=O)CC1CCC([NH2+][C@H]2CCc3c2ccc(Cl)c3Cl)CC1 ZINC000570468081 823041733 /nfs/dbraw/zinc/04/17/33/823041733.db2.gz QLYPDZDNGXMADT-PPUFBPAQSA-N 1 0 376.349 4.174 20 0 GIADRO CCc1ccc([C@H](CNC(=O)c2c(F)cccc2Br)[NH+](C)C)cc1 ZINC000175796129 823042216 /nfs/dbraw/zinc/04/22/16/823042216.db2.gz VYHYCPQDFJSZLU-KRWDZBQOSA-N 1 0 393.300 4.183 20 0 GIADRO C[C@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)c1ncc(-c2ccccc2)o1 ZINC000175798926 823043194 /nfs/dbraw/zinc/04/31/94/823043194.db2.gz MPHGBYQQMCMSOK-INIZCTEOSA-N 1 0 382.508 4.109 20 0 GIADRO CC[NH+](CC)CCOc1cc(NC(=O)N2CCC3(CCCC3)C2)ccc1OC ZINC000175803933 823044158 /nfs/dbraw/zinc/04/41/58/823044158.db2.gz OLSISWDHMPLKBE-UHFFFAOYSA-N 1 0 389.540 4.214 20 0 GIADRO C[C@H](CNC(=O)CCOc1ccccc1-c1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000060555901 823541982 /nfs/dbraw/zinc/54/19/82/823541982.db2.gz RFKYTPDQWQBCJQ-WOJBJXKFSA-N 1 0 380.532 4.359 20 0 GIADRO Cc1cc(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)c(C)n1Cc1ccccc1 ZINC000060566981 823543141 /nfs/dbraw/zinc/54/31/41/823543141.db2.gz XRGRXBMLZLZFEI-LJQANCHMSA-N 1 0 381.564 4.395 20 0 GIADRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(S(=O)(=O)N3CCCC3)cc2)c2ccccc21 ZINC000177896540 823543307 /nfs/dbraw/zinc/54/33/07/823543307.db2.gz YIOWVGBPLUCATQ-VGSWGCGISA-N 1 0 384.545 4.199 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)Nc2cccc(C(F)(F)F)n2)CC1 ZINC000123829476 823543816 /nfs/dbraw/zinc/54/38/16/823543816.db2.gz ICLOFHYRPYKRFX-CQSZACIVSA-N 1 0 392.425 4.448 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)C2(c3ccc(Br)cc3)CCCC2)CC[N@@H+]1C ZINC000123833115 823544258 /nfs/dbraw/zinc/54/42/58/823544258.db2.gz RVNBBELZCUOKSA-YJBOKZPZSA-N 1 0 393.369 4.202 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2ccc(OCC(F)(F)F)cc2)C1 ZINC000060590732 823545738 /nfs/dbraw/zinc/54/57/38/823545738.db2.gz LNIOQXBYFIVIJV-IYBDPMFKSA-N 1 0 386.458 4.116 20 0 GIADRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)cc1C ZINC000177921469 823546443 /nfs/dbraw/zinc/54/64/43/823546443.db2.gz QRINYJJPXPVOAM-AQNXPRMDSA-N 1 0 380.532 4.404 20 0 GIADRO Fc1cccc(Cl)c1CN1CCC([NH2+]CCCOCC(F)(F)F)CC1 ZINC000177922665 823546637 /nfs/dbraw/zinc/54/66/37/823546637.db2.gz IXFFLGIXOLPBEM-UHFFFAOYSA-N 1 0 382.829 4.002 20 0 GIADRO CCN(CCC[NH+]1CCCC1)C(=O)N[C@H](Cc1ccc(C)cc1)c1ccccn1 ZINC000190176940 823546772 /nfs/dbraw/zinc/54/67/72/823546772.db2.gz CAEJTCFHSZRZJZ-HSZRJFAPSA-N 1 0 394.563 4.191 20 0 GIADRO CC[C@@H]([NH2+][C@H](C)c1ccc(NS(C)(=O)=O)cc1)c1ccccc1OC(F)F ZINC000177925503 823547141 /nfs/dbraw/zinc/54/71/41/823547141.db2.gz VMEYWEVLYQLSCC-CXAGYDPISA-N 1 0 398.475 4.461 20 0 GIADRO O=C(c1cn2ccccc2n1)N(CCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000411105841 823547290 /nfs/dbraw/zinc/54/72/90/823547290.db2.gz YKJHIJBXACAHMF-UHFFFAOYSA-N 1 0 382.895 4.120 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)Nc2ccc(OC(F)F)cc2)CC1 ZINC000123866478 823547513 /nfs/dbraw/zinc/54/75/13/823547513.db2.gz BHMFKAFVIHGTOF-UHFFFAOYSA-N 1 0 389.446 4.383 20 0 GIADRO COc1cc(C)c([C@H](C)[NH2+]Cc2ccc(Cn3ccccc3=O)cc2)cc1OC ZINC000177929063 823547533 /nfs/dbraw/zinc/54/75/33/823547533.db2.gz MVUVOUVFYNLOMB-SFHVURJKSA-N 1 0 392.499 4.073 20 0 GIADRO CCC[NH+]1CCC(CNC(=O)N(C)[C@H](C)c2sc(C(C)C)nc2C)CC1 ZINC000123866200 823547582 /nfs/dbraw/zinc/54/75/82/823547582.db2.gz MCFRGEHDZOTKRO-MRXNPFEDSA-N 1 0 380.602 4.399 20 0 GIADRO CCOc1cc(C[N@H+](C)CC2CCC3(CC2)OCCO3)ccc1OC(F)F ZINC000190185798 823547776 /nfs/dbraw/zinc/54/77/76/823547776.db2.gz VCGNJNQVZNYIFV-UHFFFAOYSA-N 1 0 385.451 4.052 20 0 GIADRO Cn1c(C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2ccccc2)nnc1-c1ccccc1 ZINC000123872343 823548123 /nfs/dbraw/zinc/54/81/23/823548123.db2.gz ZMEMGWNZYAZFTQ-VXKWHMMOSA-N 1 0 390.531 4.350 20 0 GIADRO COC[C@@H]([NH2+][C@H]1CCN(C(=O)C2CCCCC2)C1)c1cccc(C(F)(F)F)c1 ZINC000123873601 823548225 /nfs/dbraw/zinc/54/82/25/823548225.db2.gz LPVNUYUHQARXJR-RBUKOAKNSA-N 1 0 398.469 4.164 20 0 GIADRO O=C(c1ccc(-c2cc(F)c(F)c(F)c2)cc1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000460946680 823548245 /nfs/dbraw/zinc/54/82/45/823548245.db2.gz ZWLJMOQGMCOOGZ-GOSISDBHSA-N 1 0 388.433 4.471 20 0 GIADRO C[C@@H]([NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccc(N2CCOC2=O)cc1 ZINC000177937283 823548512 /nfs/dbraw/zinc/54/85/12/823548512.db2.gz HRWKORODTOTYNG-QRQCRPRQSA-N 1 0 394.471 4.216 20 0 GIADRO C[C@@H]1C[C@H](CCNC(=O)N2CCCc3occc3C2)C[N@@H+]1Cc1ccccc1 ZINC000460948488 823548694 /nfs/dbraw/zinc/54/86/94/823548694.db2.gz WSIXUBVZSMPDID-QUCCMNQESA-N 1 0 381.520 4.038 20 0 GIADRO O[C@@H](C[C@H]1CCCCC[N@@H+]1Cc1ccc(-n2ccnc2)nc1)c1ccccc1 ZINC000123879727 823548842 /nfs/dbraw/zinc/54/88/42/823548842.db2.gz FGXGEFCLZKQFFJ-YADHBBJMSA-N 1 0 376.504 4.136 20 0 GIADRO Cc1ccc(Cl)cc1C(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000123908843 823550756 /nfs/dbraw/zinc/55/07/56/823550756.db2.gz MJZZOFCYGNZYRM-LJQANCHMSA-N 1 0 384.907 4.366 20 0 GIADRO O=C(Nc1ccccc1)[C@H]1CCC[N@@H+](Cc2ccc(-c3ncco3)cc2F)C1 ZINC000411140873 823551422 /nfs/dbraw/zinc/55/14/22/823551422.db2.gz DPMCXCHEFLDTSQ-SFHVURJKSA-N 1 0 379.435 4.331 20 0 GIADRO C[C@H](C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)c1ccsc1 ZINC000123914685 823551413 /nfs/dbraw/zinc/55/14/13/823551413.db2.gz QHMRYGIDVGMFPH-WPKBUWHJSA-N 1 0 380.916 4.453 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)N(C[C@@H]1CCOC1)C1CC1)C1CCCCC1 ZINC000123923134 823552024 /nfs/dbraw/zinc/55/20/24/823552024.db2.gz FNGTVVICERXUNQ-SFHVURJKSA-N 1 0 385.552 4.484 20 0 GIADRO Cc1cccc(C)c1NC(=O)CN(C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411158184 823552708 /nfs/dbraw/zinc/55/27/08/823552708.db2.gz VPZZVIKWNXCZDT-UHFFFAOYSA-N 1 0 379.548 4.360 20 0 GIADRO CS(=O)(=O)c1cccc([C@H]([NH2+]C[C@@H]2CC=CCC2)c2cc(F)ccc2F)c1 ZINC000123932738 823552927 /nfs/dbraw/zinc/55/29/27/823552927.db2.gz SNNMSYOGQPPSJI-VFNWGFHPSA-N 1 0 391.483 4.404 20 0 GIADRO COc1ccc(C[NH2+]CCc2nc(-c3ccccn3)cs2)c(OC(F)F)c1 ZINC000123932745 823552971 /nfs/dbraw/zinc/55/29/71/823552971.db2.gz UYIATAVEYKVSMV-UHFFFAOYSA-N 1 0 391.443 4.147 20 0 GIADRO C[N@@H+]1CC[C@@H](CNC(=O)c2cncc3ccccc32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123942951 823553767 /nfs/dbraw/zinc/55/37/67/823553767.db2.gz GOPUIRZIGLPFIH-KKSFZXQISA-N 1 0 397.881 4.450 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)C[N@H+]2CC[C@H](Cc3ccc(C(C)C)cc3)C2)cc1 ZINC000460976664 823554405 /nfs/dbraw/zinc/55/44/05/823554405.db2.gz DRUJJJZSSRXREN-HXUWFJFHSA-N 1 0 393.531 4.272 20 0 GIADRO C[S@](=O)CCC[NH2+]Cc1ccc(Oc2cccc(Br)c2)cc1 ZINC000190240985 823554714 /nfs/dbraw/zinc/55/47/14/823554714.db2.gz JWVAHXIYTNOZDL-QFIPXVFZSA-N 1 0 382.323 4.100 20 0 GIADRO CCC[N@H+](CC1CCCCC1)[C@@H](C)C(=O)Nc1cc(NC(C)=O)ccc1OC ZINC000411193697 823555996 /nfs/dbraw/zinc/55/59/96/823555996.db2.gz SUCZIXSGXBVQGL-INIZCTEOSA-N 1 0 389.540 4.273 20 0 GIADRO C[C@@H](C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)c1cccc(Cl)c1 ZINC000460993840 823556657 /nfs/dbraw/zinc/55/66/57/823556657.db2.gz AKFJJCJQZOBSPZ-QGZVFWFLSA-N 1 0 386.923 4.235 20 0 GIADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2ccc(C(F)(F)F)c(F)c2)CC1 ZINC000190256996 823556872 /nfs/dbraw/zinc/55/68/72/823556872.db2.gz UENSHPHEXQZVCQ-ZDUSSCGKSA-N 1 0 395.400 4.195 20 0 GIADRO CC[C@@H](C)[NH2+][C@H](CNC(=O)N(C)[C@H]1CC[C@@H](C(F)(F)F)CC1)c1ccco1 ZINC000461005843 823558026 /nfs/dbraw/zinc/55/80/26/823558026.db2.gz LLTLPIKHBRWHAR-LVQVYYBASA-N 1 0 389.462 4.471 20 0 GIADRO O[C@@H](C[C@H]1CCCCC[N@@H+]1CC1CCC2(CC1)OCCO2)c1cccs1 ZINC000190270567 823558173 /nfs/dbraw/zinc/55/81/73/823558173.db2.gz JUSZMSXXSSEXIW-MOPGFXCFSA-N 1 0 379.566 4.350 20 0 GIADRO Cc1cc(C)c(Br)c(C(=O)NCCCCC[NH+]2CCCCC2)c1 ZINC000461007648 823558209 /nfs/dbraw/zinc/55/82/09/823558209.db2.gz LNEQLDFHJVBWFS-UHFFFAOYSA-N 1 0 381.358 4.452 20 0 GIADRO OCCn1nccc1C1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000411221672 823558274 /nfs/dbraw/zinc/55/82/74/823558274.db2.gz FXFYTMRFHHEKNQ-HSZRJFAPSA-N 1 0 395.934 4.498 20 0 GIADRO CCOc1c(Br)cc(C[NH2+]CCOc2ccc(C)cc2)cc1OC ZINC000060817894 823559629 /nfs/dbraw/zinc/55/96/29/823559629.db2.gz UTRZCSBEIOOVPU-UHFFFAOYSA-N 1 0 394.309 4.333 20 0 GIADRO Fc1ccc([C@H](C[NH2+]Cc2c(Cl)cccc2Cl)N2CCOCC2)cc1 ZINC000060818180 823559657 /nfs/dbraw/zinc/55/96/57/823559657.db2.gz SMJYJDVVBPAKEV-IBGZPJMESA-N 1 0 383.294 4.296 20 0 GIADRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1 ZINC000461022638 823560572 /nfs/dbraw/zinc/56/05/72/823560572.db2.gz ALAYVIDXTZPNDC-OAHLLOKOSA-N 1 0 396.466 4.001 20 0 GIADRO CC(C)c1c(C(=O)N[C@H](C)C[N@H+](C)C(C)C)cnn1-c1ccc(Cl)cc1 ZINC000461023092 823560614 /nfs/dbraw/zinc/56/06/14/823560614.db2.gz CAHGTBBDSSHBTB-OAHLLOKOSA-N 1 0 376.932 4.108 20 0 GIADRO COc1ccc([C@@H](C[NH2+]Cc2cc(OC)ccc2OC)N2CCCCC2)cc1 ZINC000060828313 823560627 /nfs/dbraw/zinc/56/06/27/823560627.db2.gz ZJRQQTRPJCDHEB-JOCHJYFZSA-N 1 0 384.520 4.029 20 0 GIADRO COc1ccccc1[C@@H](C[NH2+]Cc1ccc(Br)cc1)N1CCCC1 ZINC000060832186 823560972 /nfs/dbraw/zinc/56/09/72/823560972.db2.gz FEAMNCNRAYEXQX-LJQANCHMSA-N 1 0 389.337 4.384 20 0 GIADRO COc1ccccc1[C@H](C[NH2+]Cc1cccc(Br)c1)N1CCCC1 ZINC000060832197 823560985 /nfs/dbraw/zinc/56/09/85/823560985.db2.gz BHFQZQLZGNCZPO-IBGZPJMESA-N 1 0 389.337 4.384 20 0 GIADRO COc1cc(C[NH2+]C[C@@H](c2cccs2)N2CCC(C)CC2)cc2c1OCO2 ZINC000060832306 823561024 /nfs/dbraw/zinc/56/10/24/823561024.db2.gz FRESWWJUZVMBDC-KRWDZBQOSA-N 1 0 388.533 4.048 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2c3ccccc3CC23CCOCC3)cc1 ZINC000461026173 823561309 /nfs/dbraw/zinc/56/13/09/823561309.db2.gz GQZNKFTVUJVCAT-HSZRJFAPSA-N 1 0 392.543 4.352 20 0 GIADRO Cc1ccc(C[NH2+]Cc2cc(F)cc3cccnc32)c(-n2cc(Cl)cn2)n1 ZINC000190308572 823561333 /nfs/dbraw/zinc/56/13/33/823561333.db2.gz ADQFKSFDWFKGHZ-UHFFFAOYSA-N 1 0 381.842 4.206 20 0 GIADRO Cc1ccc(C[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)c(-n2cc(Cl)cn2)n1 ZINC000190310201 823561413 /nfs/dbraw/zinc/56/14/13/823561413.db2.gz ALMMYUKTVBSPQE-UHFFFAOYSA-N 1 0 396.857 4.048 20 0 GIADRO COc1cc(C(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)cc(OC)c1C ZINC000060846841 823561836 /nfs/dbraw/zinc/56/18/36/823561836.db2.gz JURHJAYNHSUXSH-UHFFFAOYSA-N 1 0 382.504 4.496 20 0 GIADRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000461028830 823561998 /nfs/dbraw/zinc/56/19/98/823561998.db2.gz MGZLTCOUCCDTHY-MRXNPFEDSA-N 1 0 382.533 4.059 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1)c1ccc(OC)c(OC)c1 ZINC000124038646 823562033 /nfs/dbraw/zinc/56/20/33/823562033.db2.gz FCWWPZLDPXCGCS-GUYCJALGSA-N 1 0 395.496 4.048 20 0 GIADRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1cn(C(C)(C)C)nc1-c1ccccc1Cl ZINC000461033041 823562713 /nfs/dbraw/zinc/56/27/13/823562713.db2.gz IIEDLOYYMRKUEW-OAHLLOKOSA-N 1 0 390.959 4.417 20 0 GIADRO O=C(c1cccc(C[NH+]2CCCCC2)c1)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000411315775 823563971 /nfs/dbraw/zinc/56/39/71/823563971.db2.gz JRPNJVWBUPLKJG-JOCHJYFZSA-N 1 0 382.479 4.025 20 0 GIADRO CC[C@@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1c(C)noc1C ZINC000124058212 823564075 /nfs/dbraw/zinc/56/40/75/823564075.db2.gz YDIFJUHRLLIULJ-OTYNDTSQSA-N 1 0 396.535 4.237 20 0 GIADRO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(-c4ncco4)cc3F)C2)n1 ZINC000411335920 823564986 /nfs/dbraw/zinc/56/49/86/823564986.db2.gz FJLWJPUMIBQAJC-GOSISDBHSA-N 1 0 394.450 4.035 20 0 GIADRO Cc1ccc2ncc(C[NH+]3CCC(C(=O)Nc4ccc(Cl)cn4)CC3)cc2c1 ZINC000411341154 823565412 /nfs/dbraw/zinc/56/54/12/823565412.db2.gz PDSXLCRMNILGKY-UHFFFAOYSA-N 1 0 394.906 4.442 20 0 GIADRO Cc1cccnc1[C@@H]([NH2+]CCC(=O)Nc1ccccc1Br)C(C)C ZINC000411375602 823567240 /nfs/dbraw/zinc/56/72/40/823567240.db2.gz HHXZZTCQHWICQL-SFHVURJKSA-N 1 0 390.325 4.468 20 0 GIADRO Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+]C[C@](C)(O)c1ccsc1 ZINC000124095745 823567317 /nfs/dbraw/zinc/56/73/17/823567317.db2.gz MCXISRXXSKFKGV-SFHVURJKSA-N 1 0 379.888 4.032 20 0 GIADRO CC[NH+](CC)Cc1ccc(NCc2ccccc2OCC(=O)N2CCCC2)cc1 ZINC000190381558 823567852 /nfs/dbraw/zinc/56/78/52/823567852.db2.gz IXCDKLPBJXJDGS-UHFFFAOYSA-N 1 0 395.547 4.142 20 0 GIADRO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000124108815 823568189 /nfs/dbraw/zinc/56/81/89/823568189.db2.gz MJZYEUFCSDASHU-IBGZPJMESA-N 1 0 390.535 4.083 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)CC[NH2+]C(C)(C)c1nc(C)c(C)s1 ZINC000411389477 823568917 /nfs/dbraw/zinc/56/89/17/823568917.db2.gz PSSVPRJXRKBABR-UHFFFAOYSA-N 1 0 381.929 4.275 20 0 GIADRO Cc1ccc([C@H](CNC(=O)Nc2ccc3oc(=O)ccc3c2)[NH+]2CCCC2)cc1 ZINC000060971797 823570330 /nfs/dbraw/zinc/57/03/30/823570330.db2.gz BAVXZDJRUUBBDH-FQEVSTJZSA-N 1 0 391.471 4.060 20 0 GIADRO CCN(Cc1ccccc1NC(=O)c1cccc(C[NH+]2CCCCC2)c1)C(C)=O ZINC000411401900 823570454 /nfs/dbraw/zinc/57/04/54/823570454.db2.gz OCMWSSSUJDFQNA-UHFFFAOYSA-N 1 0 393.531 4.293 20 0 GIADRO Cc1nccn1CCCC[NH2+][C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000124138392 823571112 /nfs/dbraw/zinc/57/11/12/823571112.db2.gz CQBLNMCZYBPAGR-JOCHJYFZSA-N 1 0 391.494 4.492 20 0 GIADRO CC[C@H](CN(CC)C(=O)C(=O)Nc1ccc(C[NH+](C)C)c(C)c1)c1ccccc1 ZINC000411409127 823571231 /nfs/dbraw/zinc/57/12/31/823571231.db2.gz AHEHYUYYCJVGAZ-LJQANCHMSA-N 1 0 395.547 4.037 20 0 GIADRO C[C@H]([NH2+]C(C)(C)CNC(=O)N1CCC(c2ccncc2)CC1)c1ccccc1 ZINC000190423037 823571640 /nfs/dbraw/zinc/57/16/40/823571640.db2.gz ZHWOEHXZLYDZKA-SFHVURJKSA-N 1 0 380.536 4.100 20 0 GIADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](c2ccn(C)n2)c2ccc(Cl)cc2)C[C@@H]1C ZINC000461079768 823571857 /nfs/dbraw/zinc/57/18/57/823571857.db2.gz GIWRQDXGARCDQV-DEYWJSPQSA-N 1 0 389.927 4.120 20 0 GIADRO Cc1ccccc1COc1ccc([C@H](C)[NH2+][C@@H](CCO)C2CCOCC2)cc1 ZINC000461080515 823572161 /nfs/dbraw/zinc/57/21/61/823572161.db2.gz CMVNQQHSQPMRHJ-CYFREDJKSA-N 1 0 383.532 4.402 20 0 GIADRO C[C@H](CC(C)(C)c1ccccc1)[NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1 ZINC000461081105 823572263 /nfs/dbraw/zinc/57/22/63/823572263.db2.gz LOPYUSPLOKEZSI-GOSISDBHSA-N 1 0 386.561 4.073 20 0 GIADRO Cc1cccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C2CCC(O)CC2)c1 ZINC000061003541 823572307 /nfs/dbraw/zinc/57/23/07/823572307.db2.gz FEKHTIIWDWMPNV-UHFFFAOYSA-N 1 0 375.516 4.300 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc3noc(-c4ccc(F)cc4)c3c2)C1 ZINC000124153933 823572547 /nfs/dbraw/zinc/57/25/47/823572547.db2.gz GHBUTQFLEZWAJS-MRXNPFEDSA-N 1 0 395.478 4.438 20 0 GIADRO Cc1noc(C)c1CN(C)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000061011595 823572628 /nfs/dbraw/zinc/57/26/28/823572628.db2.gz PJFVTYYFJKYHRK-UHFFFAOYSA-N 1 0 384.524 4.009 20 0 GIADRO C[C@@H](c1cccnc1)[N@H+](C)CCc1nc2sc3c(c2c(N)n1)CC[C@H](C)C3 ZINC000411431062 823573417 /nfs/dbraw/zinc/57/34/17/823573417.db2.gz ZEJCZOZRKUDGGW-KBPBESRZSA-N 1 0 381.549 4.029 20 0 GIADRO O[C@@H]1CC[N@H+](Cc2cccc(N[C@@H]3CCc4c3cccc4Br)c2)C1 ZINC000461085522 823573439 /nfs/dbraw/zinc/57/34/39/823573439.db2.gz KCDMKMRFJZNGLQ-OXQOHEQNSA-N 1 0 387.321 4.115 20 0 GIADRO OCC[C@@H]([NH2+][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21)C1CCOCC1 ZINC000461084872 823573445 /nfs/dbraw/zinc/57/34/45/823573445.db2.gz JLRWGJNMHQNDDS-QZTJIDSGSA-N 1 0 390.524 4.094 20 0 GIADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCOc3ccc(Br)cc32)C[C@@H]1C ZINC000461085032 823573466 /nfs/dbraw/zinc/57/34/66/823573466.db2.gz GXJNOQUKYTUQHO-FAYQHZLMSA-N 1 0 396.325 4.230 20 0 GIADRO OCC[C@H]([NH2+][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21)C1CCOCC1 ZINC000461084874 823573469 /nfs/dbraw/zinc/57/34/69/823573469.db2.gz JLRWGJNMHQNDDS-ZWKOTPCHSA-N 1 0 390.524 4.094 20 0 GIADRO CC[C@H]([NH2+][C@H]1CCN(Cc2ccc(OC)cc2)C1=O)c1cccc(Cl)c1F ZINC000461085201 823573532 /nfs/dbraw/zinc/57/35/32/823573532.db2.gz FNTVAKSCGQTRHA-OALUTQOASA-N 1 0 390.886 4.330 20 0 GIADRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000061020984 823573657 /nfs/dbraw/zinc/57/36/57/823573657.db2.gz BCTJRSZHHVDARO-VCWRXUFXSA-N 1 0 387.593 4.180 20 0 GIADRO O=S1(=O)CCCN1c1ccc(C[NH2+][C@H]2CCCC[C@@H]2c2ccccc2)cc1 ZINC000461085579 823573685 /nfs/dbraw/zinc/57/36/85/823573685.db2.gz HYEHUYKKJSAOFN-YADHBBJMSA-N 1 0 384.545 4.043 20 0 GIADRO CCNC(=O)COc1cccc(C[NH2+][C@H](CC)c2cccc(Cl)c2F)c1 ZINC000461086900 823574044 /nfs/dbraw/zinc/57/40/44/823574044.db2.gz HRPVPNOWOHCSFN-GOSISDBHSA-N 1 0 378.875 4.235 20 0 GIADRO COc1cc(C[NH2+][C@H](C)C2CC2)ccc1OCC(=O)Nc1ccccc1Cl ZINC000061030254 823574267 /nfs/dbraw/zinc/57/42/67/823574267.db2.gz LNUUWQIWYCNLIR-CQSZACIVSA-N 1 0 388.895 4.254 20 0 GIADRO COc1cc(C)c([C@H](C)[NH2+]CCC(=O)NCc2ccccc2Cl)cc1OC ZINC000411443422 823574584 /nfs/dbraw/zinc/57/45/84/823574584.db2.gz IVUUZDMKBBWRRF-HNNXBMFYSA-N 1 0 390.911 4.023 20 0 GIADRO COc1cc(Br)ccc1[C@@H](C)[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000190441691 823574702 /nfs/dbraw/zinc/57/47/02/823574702.db2.gz JLNOBAGOUCBKPR-CQSZACIVSA-N 1 0 386.293 4.494 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+]CCC(=O)Nc2ccccc2Cl)cc1OC ZINC000411444674 823574795 /nfs/dbraw/zinc/57/47/95/823574795.db2.gz FHDSMTQZVODGFX-AWEZNQCLSA-N 1 0 376.884 4.427 20 0 GIADRO CN(CCCc1ccccc1)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000061036424 823574838 /nfs/dbraw/zinc/57/48/38/823574838.db2.gz DUIICPKKPDOUBY-UHFFFAOYSA-N 1 0 385.577 4.234 20 0 GIADRO COc1ccc2c(c1)CCC[C@@H]2C[NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000124176856 823574874 /nfs/dbraw/zinc/57/48/74/823574874.db2.gz FFBYUARQDBFSIY-VQIMIIECSA-N 1 0 380.488 4.423 20 0 GIADRO COc1ccc(CNC(=O)C[NH2+][C@H]2CCCc3c4ccccc4sc32)cc1 ZINC000461090553 823574959 /nfs/dbraw/zinc/57/49/59/823574959.db2.gz AMYQFRJJGOVSNI-IBGZPJMESA-N 1 0 380.513 4.193 20 0 GIADRO Cc1cccc(COc2ccc([C@@H](C)[NH2+][C@@H](CCO)C3CCOCC3)cc2)c1 ZINC000461090533 823574968 /nfs/dbraw/zinc/57/49/68/823574968.db2.gz AKHAMMNPPQNIHI-DVECYGJZSA-N 1 0 383.532 4.402 20 0 GIADRO CC(C)[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)o1)c1cccc(C(F)(F)F)c1 ZINC000411446203 823575167 /nfs/dbraw/zinc/57/51/67/823575167.db2.gz AEHFQOMBOSWCRX-INIZCTEOSA-N 1 0 375.412 4.189 20 0 GIADRO Cc1nc(CC(C)C)oc1C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000190444892 823575187 /nfs/dbraw/zinc/57/51/87/823575187.db2.gz HNWFBKXVQUFKIF-UHFFFAOYSA-N 1 0 379.888 4.028 20 0 GIADRO CCCCc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)cc1 ZINC000461092865 823575309 /nfs/dbraw/zinc/57/53/09/823575309.db2.gz ZPKPLBRNKIKTCA-SFHVURJKSA-N 1 0 386.561 4.420 20 0 GIADRO COc1ccc([C@@H](CCO)[NH2+]CCC(=O)Nc2c(Cl)cccc2Cl)cc1 ZINC000411447898 823575365 /nfs/dbraw/zinc/57/53/65/823575365.db2.gz BSCRKMXKZJDYIM-QGZVFWFLSA-N 1 0 397.302 4.044 20 0 GIADRO FC(F)(F)Oc1ccccc1C[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000124187522 823575761 /nfs/dbraw/zinc/57/57/61/823575761.db2.gz BHTOIHGJPDKLEZ-INIZCTEOSA-N 1 0 394.441 4.283 20 0 GIADRO CCOc1cccc(C[NH2+][C@H](C)c2ccc(Br)cc2OC)c1O ZINC000190447773 823575810 /nfs/dbraw/zinc/57/58/10/823575810.db2.gz UPDBGIKQVYNJOE-GFCCVEGCSA-N 1 0 380.282 4.413 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1cccc(OCc2ccccn2)c1)C(=O)N(C)c1ccccc1 ZINC000411450484 823575840 /nfs/dbraw/zinc/57/58/40/823575840.db2.gz SZWXBPIAKNTZHR-RTBURBONSA-N 1 0 389.499 4.363 20 0 GIADRO COc1cc([C@@H](C)[NH2+]CCc2nc3ccccc3c(=O)[nH]2)ccc1OC(C)C ZINC000411449554 823575856 /nfs/dbraw/zinc/57/58/56/823575856.db2.gz MBRPNAFEJDHYQA-OAHLLOKOSA-N 1 0 381.476 4.025 20 0 GIADRO COc1cc(C[NH2+]C[C@H](C2CCCCC2)N(C)C)ccc1OCc1ccncc1 ZINC000061070485 823576727 /nfs/dbraw/zinc/57/67/27/823576727.db2.gz ULBHEPFHGSPWAK-JOCHJYFZSA-N 1 0 397.563 4.269 20 0 GIADRO CO[C@]1(C[NH2+][C@@H](c2ccc(Cl)cc2)c2ccc(OC(F)F)cc2)CCOC1 ZINC000461098592 823576813 /nfs/dbraw/zinc/57/68/13/823576813.db2.gz AYFRCRQPNLNDKV-ICSRJNTNSA-N 1 0 397.849 4.426 20 0 GIADRO COc1ccc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c(OCc2ccccc2)c1 ZINC000190454444 823576907 /nfs/dbraw/zinc/57/69/07/823576907.db2.gz AXCOQFNXLSTSJL-MJGOQNOKSA-N 1 0 397.519 4.221 20 0 GIADRO C[C@@H]([NH2+][C@H](CCO)C1CCOCC1)c1ccc(SCC(F)(F)F)cc1 ZINC000461100070 823577178 /nfs/dbraw/zinc/57/71/78/823577178.db2.gz PDVXKLVIFHTGNN-CXAGYDPISA-N 1 0 377.472 4.169 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)Nc2ccnn2C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000190459143 823577398 /nfs/dbraw/zinc/57/73/98/823577398.db2.gz ZEKLIXDJHNEHBA-PKOBYXMFSA-N 1 0 383.540 4.155 20 0 GIADRO Cc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@@H](CCO)C2CCOCC2)CCC3)cc1 ZINC000461101135 823577484 /nfs/dbraw/zinc/57/74/84/823577484.db2.gz CSTZFEOEASRTOL-RBUKOAKNSA-N 1 0 386.561 4.263 20 0 GIADRO CN(C)C(=O)C[C@H]([NH2+]Cc1cc(Cl)cc(Br)c1)c1ccccc1 ZINC000411461647 823577578 /nfs/dbraw/zinc/57/75/78/823577578.db2.gz SULUGLXZUVXPKX-KRWDZBQOSA-N 1 0 395.728 4.412 20 0 GIADRO CSc1ccc(OC[C@@H](O)C[NH2+][C@@H](CC(F)(F)F)c2ccccc2)cc1 ZINC000411461266 823577587 /nfs/dbraw/zinc/57/75/87/823577587.db2.gz SPMFWEZKEYPSIY-YJBOKZPZSA-N 1 0 385.451 4.432 20 0 GIADRO Cc1cc(NC(=O)C[NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)n(-c2ccc(C)cc2)n1 ZINC000124210410 823577640 /nfs/dbraw/zinc/57/76/40/823577640.db2.gz LFDDZXQJQOGBMZ-DLBZAZTESA-N 1 0 394.441 4.138 20 0 GIADRO COc1ccc([C@@H](CCO)[NH2+]CCC(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000411463768 823577784 /nfs/dbraw/zinc/57/77/84/823577784.db2.gz SPMGPUWDWCKCIB-QGZVFWFLSA-N 1 0 397.302 4.044 20 0 GIADRO COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]CCc2c(C)nn(C)c2C)cc1 ZINC000124212548 823578023 /nfs/dbraw/zinc/57/80/23/823578023.db2.gz SZXYSGIRNRIIRA-QHCPKHFHSA-N 1 0 381.495 4.301 20 0 GIADRO CCCCCCOc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000124219241 823578540 /nfs/dbraw/zinc/57/85/40/823578540.db2.gz ZBECVCFYPLUVIT-MJGOQNOKSA-N 1 0 376.541 4.209 20 0 GIADRO CSc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2cccc(N3CCCC3)c2)cc1 ZINC000411472349 823578727 /nfs/dbraw/zinc/57/87/27/823578727.db2.gz HJUZCGWKYUIVPL-PXNSSMCTSA-N 1 0 386.561 4.099 20 0 GIADRO COc1cc(NC(=O)CC[NH2+][C@H](C)c2ccc(C)c(F)c2)c(OC)cc1Cl ZINC000411471445 823578753 /nfs/dbraw/zinc/57/87/53/823578753.db2.gz FTEMWFCCVCBXDU-CYBMUJFWSA-N 1 0 394.874 4.484 20 0 GIADRO COc1ccc2c(c1)CCC[C@H]2C[NH2+][C@H](c1ccc(F)cc1)c1cnccn1 ZINC000124229720 823579208 /nfs/dbraw/zinc/57/92/08/823579208.db2.gz JHGIGHRYLXQGFG-FDDCHVKYSA-N 1 0 377.463 4.423 20 0 GIADRO CCOc1ccccc1NC(=O)CC[NH2+][C@@H](C)c1cccc(N2CCCC2)c1 ZINC000411477540 823579426 /nfs/dbraw/zinc/57/94/26/823579426.db2.gz SIJGBXFIUJVOSI-SFHVURJKSA-N 1 0 381.520 4.365 20 0 GIADRO CC[C@@H]([NH2+]Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1)C1CCOCC1 ZINC000411478460 823579445 /nfs/dbraw/zinc/57/94/45/823579445.db2.gz KGDGTMRGFWNNTN-QGZVFWFLSA-N 1 0 383.517 4.359 20 0 GIADRO CCC(CC)(C[NH2+]C1CCN(CC(F)F)CC1)c1ccc(OC)c(OC)c1 ZINC000461111522 823579494 /nfs/dbraw/zinc/57/94/94/823579494.db2.gz UGFRGGPQZGMZFN-UHFFFAOYSA-N 1 0 384.511 4.081 20 0 GIADRO COC(=O)c1c(C)[nH]c(C(=O)C[NH2+][C@@H](C)c2ccc(-c3cccnc3)cc2)c1C ZINC000411478728 823579695 /nfs/dbraw/zinc/57/96/95/823579695.db2.gz SOLQRVBVVOJGGY-HNNXBMFYSA-N 1 0 391.471 4.014 20 0 GIADRO CC[C@H]([NH2+][C@H]1CCCN(Cc2ccccn2)C1=O)c1cccc(Cl)c1F ZINC000461111928 823579742 /nfs/dbraw/zinc/57/97/42/823579742.db2.gz UVUXBDDZRQAPMQ-ROUUACIJSA-N 1 0 375.875 4.106 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)NC2CCC(OC(C)C)CC2)[NH+]2CCCC2)cc1 ZINC000124235170 823579770 /nfs/dbraw/zinc/57/97/70/823579770.db2.gz XAQODPSARAQBCI-LZBANZJXSA-N 1 0 387.568 4.167 20 0 GIADRO CO[C@@]1(C[NH2+][C@@H]2CCCc3nc(-c4ccc(Cl)cc4)sc32)CCOC1 ZINC000461113212 823579839 /nfs/dbraw/zinc/57/98/39/823579839.db2.gz WNKFUJJHSSSAFV-DNVCBOLYSA-N 1 0 378.925 4.236 20 0 GIADRO CC(C)(C)c1cc(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)no1 ZINC000461117384 823580673 /nfs/dbraw/zinc/58/06/73/823580673.db2.gz UFEGCLRBXVRFDI-UHFFFAOYSA-N 1 0 389.927 4.268 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2ccccc2N2CCOCC2)cc1 ZINC000061165265 823581773 /nfs/dbraw/zinc/58/17/73/823581773.db2.gz PETIOMGZODWMPL-LJQANCHMSA-N 1 0 393.531 4.150 20 0 GIADRO CCc1ccc([C@H](CNC(=O)Nc2cccc(OC(F)F)c2)[NH+](C)C)cc1 ZINC000061164695 823581781 /nfs/dbraw/zinc/58/17/81/823581781.db2.gz YXWUCNWZXGOAQR-SFHVURJKSA-N 1 0 377.435 4.275 20 0 GIADRO Cc1c(F)cccc1NC(=O)CC[NH2+][C@@H](CC(=O)OC(C)C)c1ccccc1 ZINC000411501636 823581883 /nfs/dbraw/zinc/58/18/83/823581883.db2.gz HYEMIHYKWGERFB-FQEVSTJZSA-N 1 0 386.467 4.135 20 0 GIADRO C[C@H]1COc2ccccc2C[N@@H+]1CCC(=O)Nc1ccccc1Br ZINC000411506834 823582199 /nfs/dbraw/zinc/58/21/99/823582199.db2.gz QRNSFUCIHZJWMR-AWEZNQCLSA-N 1 0 389.293 4.061 20 0 GIADRO O=C(C[C@H](c1ccc(O)cc1)C1CC1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000411506882 823582280 /nfs/dbraw/zinc/58/22/80/823582280.db2.gz VQMOWYUFCVMYIH-QHCPKHFHSA-N 1 0 396.506 4.196 20 0 GIADRO CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 ZINC000124270340 823582716 /nfs/dbraw/zinc/58/27/16/823582716.db2.gz VYXWFDXBPPMIPO-LJQANCHMSA-N 1 0 375.488 4.157 20 0 GIADRO CCC[C@H]([NH2+]CCc1nc(-c2ccc(Cl)cc2)no1)c1nnc2ccccn21 ZINC000411512003 823582775 /nfs/dbraw/zinc/58/27/75/823582775.db2.gz KUQWASPILLNQKD-INIZCTEOSA-N 1 0 396.882 4.106 20 0 GIADRO C[C@@]1([NH2+]CCC(=O)Nc2ccccc2Oc2ccccc2)CCO[C@H]1C1CC1 ZINC000411513764 823582939 /nfs/dbraw/zinc/58/29/39/823582939.db2.gz PVIPHMLVQAFNLJ-XZOQPEGZSA-N 1 0 380.488 4.355 20 0 GIADRO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C[N@@H+](C)[C@@H](C)C[S@@](C)=O ZINC000411513142 823583072 /nfs/dbraw/zinc/58/30/72/823583072.db2.gz OEOYLBSNWDLVRF-JPQMIFPKSA-N 1 0 390.496 4.336 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)N[C@@H](C)Cc1ccco1)c1ccccc1Cl ZINC000061193787 823583583 /nfs/dbraw/zinc/58/35/83/823583583.db2.gz VDZWOSDLGOFHFT-KXBFYZLASA-N 1 0 377.916 4.246 20 0 GIADRO CC[C@@H]([NH2+]CCC(=O)Nc1ccccc1C(F)(F)F)c1c(C)nn(C)c1C ZINC000411520093 823584122 /nfs/dbraw/zinc/58/41/22/823584122.db2.gz UXTOQHDMKDURRF-OAHLLOKOSA-N 1 0 382.430 4.125 20 0 GIADRO CC[C@H]([NH2+]CCC(=O)Nc1cccc(C(F)(F)F)c1)c1c(C)nn(C)c1C ZINC000411520098 823584170 /nfs/dbraw/zinc/58/41/70/823584170.db2.gz UYDHMKIEVZHFCG-INIZCTEOSA-N 1 0 382.430 4.125 20 0 GIADRO COc1ccc2oc([C@H](C)[NH2+]CCc3nc4ccccc4c(=O)[nH]3)c(C)c2c1 ZINC000411520610 823584173 /nfs/dbraw/zinc/58/41/73/823584173.db2.gz QSMUQAIQBUHYOD-AWEZNQCLSA-N 1 0 377.444 4.292 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]CC(=O)N1CCCC[C@@H]1C ZINC000411522818 823584544 /nfs/dbraw/zinc/58/45/44/823584544.db2.gz XGEJKLUSAIPGRQ-KBPBESRZSA-N 1 0 375.513 4.309 20 0 GIADRO CCN(C(=O)NC1CC[NH+](C2CC2)CC1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000124295658 823584996 /nfs/dbraw/zinc/58/49/96/823584996.db2.gz HXANSOXNLUKXHN-AWEZNQCLSA-N 1 0 383.458 4.425 20 0 GIADRO CCc1ccc([C@H](CNC(=O)NCc2ccccc2COC(C)C)[NH+](C)C)cc1 ZINC000061223348 823585142 /nfs/dbraw/zinc/58/51/42/823585142.db2.gz CGNJRBLQYFISDP-QHCPKHFHSA-N 1 0 397.563 4.276 20 0 GIADRO CC[C@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)c1ccc(Br)cc1 ZINC000124298015 823585170 /nfs/dbraw/zinc/58/51/70/823585170.db2.gz QMOSVLQDSWXANI-DOMZBBRYSA-N 1 0 379.264 4.374 20 0 GIADRO Cc1ccc(C(C)(C)[NH2+]CCC(=O)Nc2cccc(Br)c2)cn1 ZINC000411529775 823585203 /nfs/dbraw/zinc/58/52/03/823585203.db2.gz SUADAZVQWCGPOD-UHFFFAOYSA-N 1 0 376.298 4.006 20 0 GIADRO CC(=O)Nc1cccc(C(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1C ZINC000190555403 823586033 /nfs/dbraw/zinc/58/60/33/823586033.db2.gz DGNYUPBHZMXUGM-QGZVFWFLSA-N 1 0 393.531 4.115 20 0 GIADRO Cc1cnc([C@H](C)[NH2+]CCC(=O)N[C@H](c2cccs2)c2ccccc2)s1 ZINC000411539321 823586170 /nfs/dbraw/zinc/58/61/70/823586170.db2.gz MCEAVIDZVSDQGC-KXBFYZLASA-N 1 0 385.558 4.460 20 0 GIADRO Cc1ccc(-n2cc(C(=O)NCCC[NH+]3CCCC3)c(-c3ccccc3)n2)cc1 ZINC000061239153 823586506 /nfs/dbraw/zinc/58/65/06/823586506.db2.gz NGCXSMBYYWVSRC-UHFFFAOYSA-N 1 0 388.515 4.063 20 0 GIADRO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]CCC(=O)Nc1ccc(Cl)cc1F ZINC000411549267 823587604 /nfs/dbraw/zinc/58/76/04/823587604.db2.gz ZMIAMRHTQDJGAD-GFCCVEGCSA-N 1 0 380.895 4.418 20 0 GIADRO O=C(C[NH+]1CCC(c2ccc(O)cc2)CC1)Nc1ccc(N2CCCCC2)cc1 ZINC000124329019 823587806 /nfs/dbraw/zinc/58/78/06/823587806.db2.gz IYAQTZLLUBTMQZ-UHFFFAOYSA-N 1 0 393.531 4.201 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)C2CCN(c3ccc(C)cn3)CC2)cc1 ZINC000190585634 823588588 /nfs/dbraw/zinc/58/85/88/823588588.db2.gz XOUZVKJTDNEWTP-UHFFFAOYSA-N 1 0 380.536 4.087 20 0 GIADRO CCCc1nc(C)c(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)s1 ZINC000061285896 823589515 /nfs/dbraw/zinc/58/95/15/823589515.db2.gz QDJIVHXKYQOZOU-UHFFFAOYSA-N 1 0 375.563 4.205 20 0 GIADRO COCCCN1CCC([NH2+][C@H](c2ccc(Br)s2)C2CC2)CC1 ZINC000190597787 823589843 /nfs/dbraw/zinc/58/98/43/823589843.db2.gz HXFDVKIOWVISMT-KRWDZBQOSA-N 1 0 387.387 4.052 20 0 GIADRO O=C(Cc1ccc(OC(F)F)cc1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000061286305 823589848 /nfs/dbraw/zinc/58/98/48/823589848.db2.gz KNNMJOAJQYGOPR-UHFFFAOYSA-N 1 0 392.471 4.018 20 0 GIADRO CN(Cc1ccco1)C(=O)C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000411602434 823590107 /nfs/dbraw/zinc/59/01/07/823590107.db2.gz CDTWCDRRJFEWGA-SJLPKXTDSA-N 1 0 380.410 4.183 20 0 GIADRO CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)o1 ZINC000411604265 823590170 /nfs/dbraw/zinc/59/01/70/823590170.db2.gz GGXIUWHHXVBVBN-JKSUJKDBSA-N 1 0 387.423 4.128 20 0 GIADRO Cc1ccc(OCC(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)c(C)c1 ZINC000061308420 823590997 /nfs/dbraw/zinc/59/09/97/823590997.db2.gz DTOFHHVZTRLBCQ-UHFFFAOYSA-N 1 0 384.545 4.178 20 0 GIADRO C[C@H](CC(F)F)C(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000411617171 823590989 /nfs/dbraw/zinc/59/09/89/823590989.db2.gz KRKUGVACOGQCLU-CYBMUJFWSA-N 1 0 392.412 4.420 20 0 GIADRO O=C(CC[NH2+][C@H]1CCCc2c(O)cccc21)Nc1ccccc1C(F)(F)F ZINC000411618471 823591264 /nfs/dbraw/zinc/59/12/64/823591264.db2.gz IUMLFHXPMAXGSW-INIZCTEOSA-N 1 0 378.394 4.407 20 0 GIADRO O=C(CC[NH2+][C@@H]1CCCc2c(O)cccc21)Nc1ccccc1C(F)(F)F ZINC000411618475 823591272 /nfs/dbraw/zinc/59/12/72/823591272.db2.gz IUMLFHXPMAXGSW-MRXNPFEDSA-N 1 0 378.394 4.407 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)CC(F)F)c1ccc(C(F)(F)F)cc1 ZINC000411624506 823591931 /nfs/dbraw/zinc/59/19/31/823591931.db2.gz UCIZYHYBTISGHW-SWLSCSKDSA-N 1 0 380.401 4.496 20 0 GIADRO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@H](C)[C@H](O)c1ccc(F)cc1 ZINC000124382677 823592041 /nfs/dbraw/zinc/59/20/41/823592041.db2.gz JVRQUDVTZOBWID-VPZZIHKRSA-N 1 0 398.400 4.273 20 0 GIADRO CCc1nn(C)c(OC)c1C[NH2+][C@H](c1ccc(Br)s1)C1CC1 ZINC000190616657 823592184 /nfs/dbraw/zinc/59/21/84/823592184.db2.gz UARPSLYTPMJGDV-HNNXBMFYSA-N 1 0 384.343 4.056 20 0 GIADRO COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)c2cc3ccccc3o2)c1 ZINC000190620477 823592263 /nfs/dbraw/zinc/59/22/63/823592263.db2.gz YAOUTJMEMIQAQK-XHSDSOJGSA-N 1 0 396.487 4.367 20 0 GIADRO CSc1ccccc1NC(=O)CC[NH2+][C@H](Cc1nc(C)no1)c1ccccc1 ZINC000411632302 823592494 /nfs/dbraw/zinc/59/24/94/823592494.db2.gz FLIRFUQFZASXLU-GOSISDBHSA-N 1 0 396.516 4.002 20 0 GIADRO Cn1c(CCC[NH2+]Cc2ccc(OCC(F)(F)F)cc2)nc2ccccc21 ZINC000124386802 823592579 /nfs/dbraw/zinc/59/25/79/823592579.db2.gz CPYFCDFYZDSGHE-UHFFFAOYSA-N 1 0 377.410 4.237 20 0 GIADRO CCCn1ccnc1CCC[N@H+](C)CCC(=O)Nc1cccc2ccccc21 ZINC000411631309 823592590 /nfs/dbraw/zinc/59/25/90/823592590.db2.gz MFMUZUGLMMNLRZ-UHFFFAOYSA-N 1 0 378.520 4.340 20 0 GIADRO CCC1(CC)[C@@H]([NH2+]Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)C[C@@H]1OC ZINC000411636179 823592787 /nfs/dbraw/zinc/59/27/87/823592787.db2.gz XEOBZPPPIIBYEB-GJZGRUSLSA-N 1 0 387.505 4.340 20 0 GIADRO CSc1ccccc1NC(=O)CC[NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000411637113 823592801 /nfs/dbraw/zinc/59/28/01/823592801.db2.gz CJYCNMOMKASOML-FXAWDEMLSA-N 1 0 392.471 4.135 20 0 GIADRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1sc(-c2ccc(C(F)(F)F)cc2)nc1C ZINC000411635296 823592839 /nfs/dbraw/zinc/59/28/39/823592839.db2.gz ARCLFWFNRRDXTH-CABCVRRESA-N 1 0 397.466 4.142 20 0 GIADRO C[C@H]([NH2+]CCC(=O)N1CCc2sccc2C1)c1ccc(Br)cc1 ZINC000411643354 823593159 /nfs/dbraw/zinc/59/31/59/823593159.db2.gz LZGLIMPZYNOVSK-ZDUSSCGKSA-N 1 0 393.350 4.136 20 0 GIADRO O=C(CC[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)Nc1cccc(F)c1 ZINC000411643392 823593162 /nfs/dbraw/zinc/59/31/62/823593162.db2.gz IWTMPOKDWZEKHC-MJGOQNOKSA-N 1 0 380.822 4.067 20 0 GIADRO COc1cc(C[N@@H+]2CCC[C@@H]2C)ccc1OCC(=O)Nc1ccccc1Cl ZINC000124396778 823593211 /nfs/dbraw/zinc/59/32/11/823593211.db2.gz UKRWPHOWYIEUJD-HNNXBMFYSA-N 1 0 388.895 4.350 20 0 GIADRO CC(C)(CO)[C@H]([NH2+]CCC(=O)Nc1ccc(Cl)cc1F)c1ccccc1 ZINC000411646691 823593661 /nfs/dbraw/zinc/59/36/61/823593661.db2.gz WBXOHLLTBKBIID-LJQANCHMSA-N 1 0 378.875 4.157 20 0 GIADRO OCCC[C@H]([NH2+]CC1=Cc2cc(Br)ccc2OC1)c1ccccc1 ZINC000124401652 823593662 /nfs/dbraw/zinc/59/36/62/823593662.db2.gz DOIHDHATFLHYOT-IBGZPJMESA-N 1 0 388.305 4.328 20 0 GIADRO CCc1ccc(C[NH2+]C2(c3cccc(OC(F)(F)F)c3)CCOCC2)nc1 ZINC000411648250 823593873 /nfs/dbraw/zinc/59/38/73/823593873.db2.gz NHSFVINOFMQCRZ-UHFFFAOYSA-N 1 0 380.410 4.338 20 0 GIADRO O=C(CC[NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)Nc1ccc(Cl)cc1F ZINC000411650756 823594239 /nfs/dbraw/zinc/59/42/39/823594239.db2.gz RNBWVRCASJXGAY-IEBWSBKVSA-N 1 0 398.812 4.206 20 0 GIADRO COc1cccc(C2([NH2+]Cc3cnc4ccc(C)cc4c3)CCOCC2)c1F ZINC000411653433 823594738 /nfs/dbraw/zinc/59/47/38/823594738.db2.gz YRSNUGQLPLFENH-UHFFFAOYSA-N 1 0 380.463 4.486 20 0 GIADRO C[C@@H](NC(=O)[C@H](C)[NH2+][C@H](C)c1cc2ccccc2o1)c1ccc2c(c1)OCCO2 ZINC000190645004 823594860 /nfs/dbraw/zinc/59/48/60/823594860.db2.gz VONZYKALJOZLRR-OAGGEKHMSA-N 1 0 394.471 4.121 20 0 GIADRO CCCn1nc(C)c(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)c1C ZINC000124424381 823595485 /nfs/dbraw/zinc/59/54/85/823595485.db2.gz BCTAQIUUNAEXGL-UHFFFAOYSA-N 1 0 382.552 4.216 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000124434364 823596537 /nfs/dbraw/zinc/59/65/37/823596537.db2.gz FKJXAQHYODZKTK-UHFFFAOYSA-N 1 0 383.540 4.075 20 0 GIADRO Fc1cc(-c2ncco2)ccc1C[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000411687146 823597031 /nfs/dbraw/zinc/59/70/31/823597031.db2.gz FKFHIUDCFROEEP-SFHVURJKSA-N 1 0 380.467 4.393 20 0 GIADRO Cc1nc(C(C)(C)C)sc1C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000061432978 823597114 /nfs/dbraw/zinc/59/71/14/823597114.db2.gz LJEDQBYNSPIRRA-UHFFFAOYSA-N 1 0 395.519 4.231 20 0 GIADRO O=C(CC[NH2+][C@@H]1CCc2ccccc2OC1)Nc1c(Cl)cccc1Cl ZINC000411690392 823597255 /nfs/dbraw/zinc/59/72/55/823597255.db2.gz LSKOTIIJEUDXBW-CQSZACIVSA-N 1 0 379.287 4.305 20 0 GIADRO COCC[C@@H]([NH2+]Cc1csc(CC(=O)Nc2ccccc2C)n1)C(C)(C)C ZINC000411693733 823597442 /nfs/dbraw/zinc/59/74/42/823597442.db2.gz MGUZIZOTSWLCNL-GOSISDBHSA-N 1 0 389.565 4.174 20 0 GIADRO CC(C)C(=O)NC[C@@H]1CCCN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)C1 ZINC000124447069 823597575 /nfs/dbraw/zinc/59/75/75/823597575.db2.gz XFIAGBDNPDGJOI-AWEZNQCLSA-N 1 0 379.426 4.242 20 0 GIADRO C[C@@H]1CCCCN1C(=O)C[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000411704832 823598302 /nfs/dbraw/zinc/59/83/02/823598302.db2.gz USPXDCHNMVINFX-QRWLVFNGSA-N 1 0 398.469 4.164 20 0 GIADRO CC[C@@H]([NH2+]CCC(=O)Nc1ccccc1SC)c1ccc(OC)c(OC)c1 ZINC000411715689 823599251 /nfs/dbraw/zinc/59/92/51/823599251.db2.gz DBGFPPTZEXSHLF-MRXNPFEDSA-N 1 0 388.533 4.495 20 0 GIADRO Cc1ccc(Br)cc1C[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000190696982 823599304 /nfs/dbraw/zinc/59/93/04/823599304.db2.gz DMAXCYSNVSBXEH-UHFFFAOYSA-N 1 0 379.264 4.264 20 0 GIADRO Cc1ccc2ncc(C[NH2+][C@](C)(CO)c3ccc(Br)cc3)cc2c1 ZINC000411716210 823599339 /nfs/dbraw/zinc/59/93/39/823599339.db2.gz FJYIFEPYFXHYHJ-HXUWFJFHSA-N 1 0 385.305 4.303 20 0 GIADRO O=C(Cc1ccc(OC(F)(F)F)cc1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000061502660 823600068 /nfs/dbraw/zinc/60/00/68/823600068.db2.gz BZERMHGYHRZPST-UHFFFAOYSA-N 1 0 392.421 4.040 20 0 GIADRO CC(C)(Cc1ccc(C(F)(F)F)cc1)[NH2+]CCC(=O)Nc1cc(N)ccc1F ZINC000190704990 823600233 /nfs/dbraw/zinc/60/02/33/823600233.db2.gz KMOSKJQISGGFNJ-UHFFFAOYSA-N 1 0 397.416 4.366 20 0 GIADRO COc1cc(CC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)ccc1C ZINC000061503716 823600253 /nfs/dbraw/zinc/60/02/53/823600253.db2.gz DDJVOEBUCUCEMC-UHFFFAOYSA-N 1 0 380.532 4.239 20 0 GIADRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+]CCc1nc(-c2ccccc2)no1 ZINC000411725940 823600379 /nfs/dbraw/zinc/60/03/79/823600379.db2.gz GVHXUOBBCMCEHN-QHAWAJNXSA-N 1 0 377.488 4.220 20 0 GIADRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+]Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000411725520 823600420 /nfs/dbraw/zinc/60/04/20/823600420.db2.gz GCZATDZJKAXMKV-CDHQVMDDSA-N 1 0 397.906 4.430 20 0 GIADRO COCCN(C)c1ccc(C[NH2+][C@@H]2CCSc3ccc(Cl)cc32)cn1 ZINC000190710841 823600921 /nfs/dbraw/zinc/60/09/21/823600921.db2.gz MHVUFTABYWMYIA-QGZVFWFLSA-N 1 0 377.941 4.144 20 0 GIADRO O=C(NCc1csc2ccccc12)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000061521570 823601074 /nfs/dbraw/zinc/60/10/74/823601074.db2.gz GTXYCYUPAWXWPA-UHFFFAOYSA-N 1 0 379.529 4.497 20 0 GIADRO O=C(NCCc1cccc2ccccc21)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000061522770 823601185 /nfs/dbraw/zinc/60/11/85/823601185.db2.gz JYFYCXYEAUESFF-UHFFFAOYSA-N 1 0 387.527 4.478 20 0 GIADRO CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000411743730 823601714 /nfs/dbraw/zinc/60/17/14/823601714.db2.gz FZCCZERIAZBAMA-BDTNDASRSA-N 1 0 386.605 4.389 20 0 GIADRO CCC1(C)C[NH+](C[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000461236255 823602246 /nfs/dbraw/zinc/60/22/46/823602246.db2.gz CWLPRYYTQPPFAR-HXUWFJFHSA-N 1 0 375.459 4.164 20 0 GIADRO c1ccc(C[N@H+]2CCC[C@@H](N(CCc3ccccn3)Cc3ccncc3)C2)cc1 ZINC000411751397 823602429 /nfs/dbraw/zinc/60/24/29/823602429.db2.gz BQPUCWICNPLJRZ-RUZDIDTESA-N 1 0 386.543 4.186 20 0 GIADRO CN1CC[C@H]([NH2+]Cc2ccc(Br)cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000411754524 823602604 /nfs/dbraw/zinc/60/26/04/823602604.db2.gz XWKDXVGDGVTMPM-DLBZAZTESA-N 1 0 398.707 4.172 20 0 GIADRO CSc1ccccc1NC(=O)CC[NH2+][C@H](C)[C@H]1OCCc2sccc21 ZINC000411756137 823602833 /nfs/dbraw/zinc/60/28/33/823602833.db2.gz IEHRSPGMUZWKHO-BFUOFWGJSA-N 1 0 376.547 4.091 20 0 GIADRO CC(C)C[NH+]1CCC(NC(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)CC1 ZINC000061550068 823603009 /nfs/dbraw/zinc/60/30/09/823603009.db2.gz GEEWZIGOZJWKLP-UHFFFAOYSA-N 1 0 386.471 4.255 20 0 GIADRO Cn1ncc2c1CCC[C@H]2[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000124519450 823603118 /nfs/dbraw/zinc/60/31/18/823603118.db2.gz MVYGAMIJYWDAAO-CQSZACIVSA-N 1 0 399.130 4.112 20 0 GIADRO Clc1sc(C[NH2+]Cc2ccc(Cn3cncn3)cc2)cc1Br ZINC000190734282 823603179 /nfs/dbraw/zinc/60/31/79/823603179.db2.gz NLICNXQOVLVCJN-UHFFFAOYSA-N 1 0 397.729 4.094 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)CC1 ZINC000461243757 823603264 /nfs/dbraw/zinc/60/32/64/823603264.db2.gz QIXGOMKBARRRGO-UHFFFAOYSA-N 1 0 390.531 4.186 20 0 GIADRO CC(C)(CO)[C@@H]([NH2+]CCC(=O)Nc1ccccc1Oc1ccccc1)C1CC1 ZINC000411770331 823603836 /nfs/dbraw/zinc/60/38/36/823603836.db2.gz LXZKHHVPGMJUBU-QFIPXVFZSA-N 1 0 382.504 4.194 20 0 GIADRO CC(C)[C@@H]([NH2+]Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C1(CO)CCC1 ZINC000411769771 823603910 /nfs/dbraw/zinc/60/39/10/823603910.db2.gz KKJHFWGXDUDHHZ-LJQANCHMSA-N 1 0 397.544 4.341 20 0 GIADRO N#CCSc1ccccc1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000061568540 823604462 /nfs/dbraw/zinc/60/44/62/823604462.db2.gz VQFKXBAMIUMWRW-UHFFFAOYSA-N 1 0 385.558 4.006 20 0 GIADRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)c1cc(F)c(F)cc1Cl ZINC000061569184 823604467 /nfs/dbraw/zinc/60/44/67/823604467.db2.gz IGIODXMODJUBSX-UHFFFAOYSA-N 1 0 384.879 4.322 20 0 GIADRO CC1(C)[C@H]([NH2+]CCC(=O)Nc2ccccc2Oc2ccccc2)[C@H]2CCO[C@@H]21 ZINC000411789666 823604983 /nfs/dbraw/zinc/60/49/83/823604983.db2.gz GGORWBGKJRGGPE-YHYVQYDKSA-N 1 0 380.488 4.211 20 0 GIADRO Cc1c(NC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)cccc1C(=O)Nc1ccccc1 ZINC000411791993 823605127 /nfs/dbraw/zinc/60/51/27/823605127.db2.gz OAJBQBDJCNSJAI-BQFCYCMXSA-N 1 0 379.504 4.447 20 0 GIADRO Clc1sc(C[NH2+]Cc2cccnc2-n2cccn2)cc1Br ZINC000190750335 823605157 /nfs/dbraw/zinc/60/51/57/823605157.db2.gz INPYSDJZEXUZHE-UHFFFAOYSA-N 1 0 383.702 4.035 20 0 GIADRO Cc1ccc(OCc2ccc(C(=O)N(C)CC[C@@H]3CCCC[N@@H+]3C)o2)c(C)c1 ZINC000461255113 823605664 /nfs/dbraw/zinc/60/56/64/823605664.db2.gz BOGPMCRJMWRJHJ-IBGZPJMESA-N 1 0 384.520 4.422 20 0 GIADRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)C[C@@H](c3ccc(O)cc3)C3CC3)C2)CC1 ZINC000411801564 823605995 /nfs/dbraw/zinc/60/59/95/823605995.db2.gz WQCNNWOFXSCSCT-WMZHIEFXSA-N 1 0 384.564 4.246 20 0 GIADRO Cc1nn(Cc2ccccc2)c(C)c1C[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000124556741 823606248 /nfs/dbraw/zinc/60/62/48/823606248.db2.gz SNJLEQWRWFOANO-VWLOTQADSA-N 1 0 389.543 4.494 20 0 GIADRO CC1CCC([NH+]2CCC(N(C)C(=O)c3cc(=O)c4ccccc4[nH]3)CC2)CC1 ZINC000061619665 823606305 /nfs/dbraw/zinc/60/63/05/823606305.db2.gz SBTKVWURKVEACP-UHFFFAOYSA-N 1 0 381.520 4.056 20 0 GIADRO C[NH+](C)CCn1cc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cn1 ZINC000061635764 823607044 /nfs/dbraw/zinc/60/70/44/823607044.db2.gz RRPDOQAJNMIFSJ-UHFFFAOYSA-N 1 0 383.304 4.219 20 0 GIADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cc2cc(Br)ccc2o1 ZINC000461260295 823607064 /nfs/dbraw/zinc/60/70/64/823607064.db2.gz DDVWALKEVZEWFP-OAHLLOKOSA-N 1 0 379.298 4.142 20 0 GIADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)CCSc1ccccc1Br ZINC000461260521 823607080 /nfs/dbraw/zinc/60/70/80/823607080.db2.gz BJFRTCKWGBTXAZ-OAHLLOKOSA-N 1 0 399.398 4.264 20 0 GIADRO CCc1sc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CCN(C)CC2)cc1C ZINC000124569365 823607272 /nfs/dbraw/zinc/60/72/72/823607272.db2.gz UHWANMZNXIIOQO-RBUKOAKNSA-N 1 0 391.625 4.028 20 0 GIADRO Cc1ccc(NC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)cc1OCCC(C)C ZINC000190779093 823607760 /nfs/dbraw/zinc/60/77/60/823607760.db2.gz MZDVNWRJFUVJKD-UHFFFAOYSA-N 1 0 397.519 4.059 20 0 GIADRO COC1CCC(CC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000124577982 823607987 /nfs/dbraw/zinc/60/79/87/823607987.db2.gz HLMMGXYQXJVRES-UHFFFAOYSA-N 1 0 378.944 4.016 20 0 GIADRO CC(C)[C@H]([NH2+]CCC(=O)Nc1c(Cl)cccc1Cl)C1(CO)CCCC1 ZINC000411818191 823608075 /nfs/dbraw/zinc/60/80/75/823608075.db2.gz OIXWIJSGCQFXOQ-SFHVURJKSA-N 1 0 387.351 4.489 20 0 GIADRO C[C@H](c1ccncc1)N(C)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000124590803 823609056 /nfs/dbraw/zinc/60/90/56/823609056.db2.gz VODIHTOHDWNGNL-LJQANCHMSA-N 1 0 380.536 4.360 20 0 GIADRO COCCCC[N@@H+]1CCC[C@H]1c1nc(-c2ccccc2Br)no1 ZINC000190796249 823609985 /nfs/dbraw/zinc/60/99/85/823609985.db2.gz WOOZTWLSJXETDU-HNNXBMFYSA-N 1 0 380.286 4.063 20 0 GIADRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)Nc1ccc(F)c(F)c1F ZINC000061734354 823610111 /nfs/dbraw/zinc/61/01/11/823610111.db2.gz PISOQDUAQMDLFG-UHFFFAOYSA-N 1 0 383.439 4.199 20 0 GIADRO CCC[C@H]1C[C@H](C(=O)Nc2cc(C)cc(N3CC[NH+](C(C)C)CC3)c2)CCO1 ZINC000190799048 823610255 /nfs/dbraw/zinc/61/02/55/823610255.db2.gz FKUYXGGQRVCROJ-KNQAVFIVSA-N 1 0 387.568 4.059 20 0 GIADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)CCOc1ccccc1-c1ccccc1 ZINC000461273577 823610432 /nfs/dbraw/zinc/61/04/32/823610432.db2.gz TYGOXSGMTGLXQU-NRFANRHFSA-N 1 0 380.532 4.455 20 0 GIADRO Cc1cc(NC(=O)CCC(=O)c2cccs2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000190799278 823610525 /nfs/dbraw/zinc/61/05/25/823610525.db2.gz HKHHNMRCCBHUHB-UHFFFAOYSA-N 1 0 399.560 4.189 20 0 GIADRO C[NH+](C)CCn1c2cc(NCc3ccc(-c4ccccc4)o3)ccc2oc1=O ZINC000124605493 823610669 /nfs/dbraw/zinc/61/06/69/823610669.db2.gz FJRQWKPZKKHGNY-UHFFFAOYSA-N 1 0 377.444 4.028 20 0 GIADRO CC(C)N(C)c1ccc(C[NH2+]Cc2cccc(NC(=O)C3CCCC3)c2)cn1 ZINC000190801428 823610694 /nfs/dbraw/zinc/61/06/94/823610694.db2.gz CVTVDKRMTCRLDM-UHFFFAOYSA-N 1 0 380.536 4.345 20 0 GIADRO Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[NH2+]CCCOC[C@@H]1CCCO1 ZINC000061743632 823611204 /nfs/dbraw/zinc/61/12/04/823611204.db2.gz YQQZTVUJOXEUOQ-SFHVURJKSA-N 1 0 391.943 4.126 20 0 GIADRO COc1ccc(NC(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1Cl ZINC000061746175 823611253 /nfs/dbraw/zinc/61/12/53/823611253.db2.gz DTZFYYAYKYIXSK-UHFFFAOYSA-N 1 0 393.940 4.444 20 0 GIADRO O=C(CC[NH2+][C@@H](c1cccs1)C1(CO)CCC1)N[C@H]1CCCc2ccccc21 ZINC000411861466 823611328 /nfs/dbraw/zinc/61/13/28/823611328.db2.gz FDWVWDYWLDGZLN-UGKGYDQZSA-N 1 0 398.572 4.125 20 0 GIADRO O=C(CC[NH2+][C@H](c1cccs1)C1(CO)CCC1)N[C@@H]1CCCc2ccccc21 ZINC000411861453 823611342 /nfs/dbraw/zinc/61/13/42/823611342.db2.gz FDWVWDYWLDGZLN-DENIHFKCSA-N 1 0 398.572 4.125 20 0 GIADRO COc1cc(C)c(NC(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1OC ZINC000061746739 823611376 /nfs/dbraw/zinc/61/13/76/823611376.db2.gz WPZDDHLZYIYSFS-FQEVSTJZSA-N 1 0 397.519 4.279 20 0 GIADRO CCOc1ccc([C@H]2CCCN2C(=O)C[N@@H+]2CCSC3(CCC3)CC2)cc1 ZINC000411867545 823611449 /nfs/dbraw/zinc/61/14/49/823611449.db2.gz JEVOVDPIHRAQJV-HXUWFJFHSA-N 1 0 388.577 4.110 20 0 GIADRO Cc1nnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1Cc1cccs1 ZINC000461286203 823611958 /nfs/dbraw/zinc/61/19/58/823611958.db2.gz CTUHLWRUQFJWSG-FXAWDEMLSA-N 1 0 395.576 4.186 20 0 GIADRO CC(C)(C)c1ccc(OCCC[NH+]2CCC(C(=O)N3CCCCC3)CC2)cc1 ZINC000061761581 823612157 /nfs/dbraw/zinc/61/21/57/823612157.db2.gz QWTISIWBJGNLQJ-UHFFFAOYSA-N 1 0 386.580 4.478 20 0 GIADRO CC[C@@H]([NH2+]CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000411881993 823612524 /nfs/dbraw/zinc/61/25/24/823612524.db2.gz LTAQZHHLSWEISA-RTWAWAEBSA-N 1 0 394.515 4.252 20 0 GIADRO CO[C@H]1c2ccccc2C[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000411889011 823613140 /nfs/dbraw/zinc/61/31/40/823613140.db2.gz BTIQOWJVBIITDZ-AEFFLSMTSA-N 1 0 398.812 4.199 20 0 GIADRO COc1c(F)cc(NC(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1F ZINC000061775389 823613404 /nfs/dbraw/zinc/61/34/04/823613404.db2.gz UECHGKBXCPDJTR-IBGZPJMESA-N 1 0 389.446 4.240 20 0 GIADRO CC(C)CCc1nnc(N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)n1Cc1cccs1 ZINC000461298095 823613403 /nfs/dbraw/zinc/61/34/03/823613403.db2.gz WPIIBOVJRDWIBF-ROUUACIJSA-N 1 0 387.597 4.040 20 0 GIADRO c1csc(Cn2c(C3CC3)nnc2N2CCC[N@@H+](CC3CCCCC3)CC2)c1 ZINC000461302938 823614039 /nfs/dbraw/zinc/61/40/39/823614039.db2.gz AGIUWMOQNJIDFN-UHFFFAOYSA-N 1 0 399.608 4.358 20 0 GIADRO O[C@H]1C[C@H](c2ccccc2)[N@H+](Cc2ccc(OCc3ccccc3F)nc2)C1 ZINC000411930721 823614766 /nfs/dbraw/zinc/61/47/66/823614766.db2.gz ZNOSGLPFELCLTG-RBBKRZOGSA-N 1 0 378.447 4.108 20 0 GIADRO O[C@@H]1C[C@H](c2ccccc2)[N@H+](Cc2ccc(OCc3ccccc3F)nc2)C1 ZINC000411930716 823614792 /nfs/dbraw/zinc/61/47/92/823614792.db2.gz ZNOSGLPFELCLTG-IFMALSPDSA-N 1 0 378.447 4.108 20 0 GIADRO COc1cccc([C@@H](CNC(=O)Nc2cc(Cl)c(N)c(Cl)c2)[NH+](C)C)c1 ZINC000190838776 823614903 /nfs/dbraw/zinc/61/49/03/823614903.db2.gz IIUDSTLJVNYDGP-MRXNPFEDSA-N 1 0 397.306 4.009 20 0 GIADRO CN(Cc1ccc(F)cc1)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000061793690 823615065 /nfs/dbraw/zinc/61/50/65/823615065.db2.gz YCIBLFRUVQMQJA-UHFFFAOYSA-N 1 0 387.524 4.081 20 0 GIADRO C[C@@H](CNC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)c1ccccc1 ZINC000061793382 823615130 /nfs/dbraw/zinc/61/51/30/823615130.db2.gz RAPRDWMLDABREG-SFHVURJKSA-N 1 0 383.561 4.203 20 0 GIADRO C[C@H]1CSCC[N@H+](Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC000190841872 823615264 /nfs/dbraw/zinc/61/52/64/823615264.db2.gz FCHCTYQLWKLVRG-GOSISDBHSA-N 1 0 378.545 4.178 20 0 GIADRO Cc1cc(C(F)(F)F)ccc1C[NH2+][C@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000190848686 823616066 /nfs/dbraw/zinc/61/60/66/823616066.db2.gz MUAJLLMKDAQDQY-CYBMUJFWSA-N 1 0 386.439 4.236 20 0 GIADRO Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000190848668 823616104 /nfs/dbraw/zinc/61/61/04/823616104.db2.gz MUAJLLMKDAQDQY-ZDUSSCGKSA-N 1 0 386.439 4.236 20 0 GIADRO CO[C@@](C)([C@H](C)[NH2+]Cc1ncc(-c2cccc(Br)c2)o1)C1CC1 ZINC000411954211 823616328 /nfs/dbraw/zinc/61/63/28/823616328.db2.gz STFHMNXLZPUFRR-SGTLLEGYSA-N 1 0 379.298 4.397 20 0 GIADRO CO[C@@](C)([C@H](C)[NH2+]Cc1ncc(-c2ccc(Br)cc2)o1)C1CC1 ZINC000411957559 823616627 /nfs/dbraw/zinc/61/66/27/823616627.db2.gz WIDLPGIOSMSXDJ-SGTLLEGYSA-N 1 0 379.298 4.397 20 0 GIADRO CO[C@](C)([C@@H](C)[NH2+]CC(=O)N(C)C(c1ccccc1)c1ccccc1)C1CC1 ZINC000411961385 823616808 /nfs/dbraw/zinc/61/68/08/823616808.db2.gz ZWGJVEDTPBFOBC-HOYKHHGWSA-N 1 0 380.532 4.028 20 0 GIADRO C[NH+](C)CCn1c2cc(NCc3cccc(OC4CCCC4)c3)ccc2oc1=O ZINC000124682998 823616980 /nfs/dbraw/zinc/61/69/80/823616980.db2.gz KRMHNKOYLFUOHN-UHFFFAOYSA-N 1 0 395.503 4.090 20 0 GIADRO CO[C@@](C)([C@@H](C)[NH2+]CCC(=O)NC(c1ccccc1)c1ccccc1)C1CC1 ZINC000411972071 823617295 /nfs/dbraw/zinc/61/72/95/823617295.db2.gz PIICSSFHFYGPMJ-KOSHJBKYSA-N 1 0 380.532 4.076 20 0 GIADRO CO[C@@](C)([C@H](C)[NH2+]Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1)C1CC1 ZINC000411978030 823617468 /nfs/dbraw/zinc/61/74/68/823617468.db2.gz YNYUGJQPJOBIOB-JTSKRJEESA-N 1 0 387.545 4.121 20 0 GIADRO CSc1ccccc1OC[C@H](O)C[N@H+](Cc1oc(C(C)C)nc1C)C(C)C ZINC000411985329 823618168 /nfs/dbraw/zinc/61/81/68/823618168.db2.gz NXJODJSPOPQHPO-QGZVFWFLSA-N 1 0 392.565 4.479 20 0 GIADRO CCN(Cc1ccccc1)C(=O)[C@H](C)[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000411992972 823618960 /nfs/dbraw/zinc/61/89/60/823618960.db2.gz XXWHFFQQMFRWEK-REWPJTCUSA-N 1 0 392.543 4.277 20 0 GIADRO C[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000124701374 823618981 /nfs/dbraw/zinc/61/89/81/823618981.db2.gz FYJZDYRCANSHIB-ZSZQSSIHSA-N 1 0 395.469 4.425 20 0 GIADRO C[C@H](c1ccco1)N(C)C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000124712194 823619984 /nfs/dbraw/zinc/61/99/84/823619984.db2.gz XWKNWWWKINLVHO-CRAIPNDOSA-N 1 0 375.900 4.473 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@@H]2CCC[C@@H](C(=O)NC(C)C)C2)ccc1OC(F)F ZINC000124713394 823620164 /nfs/dbraw/zinc/62/01/64/823620164.db2.gz ZNZCPWBEVYAQRO-NUEKZKHPSA-N 1 0 384.467 4.031 20 0 GIADRO CCCC[C@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)c1ccc(OC)cc1 ZINC000412003253 823620933 /nfs/dbraw/zinc/62/09/33/823620933.db2.gz PGQYCNSLZZQDPT-CTNGQTDRSA-N 1 0 390.593 4.260 20 0 GIADRO OCC1([C@H]([NH2+]CCSc2ccccc2F)c2ccccc2)CCOCC1 ZINC000412007090 823621881 /nfs/dbraw/zinc/62/18/81/823621881.db2.gz IYZMJFDKAQARET-HXUWFJFHSA-N 1 0 375.509 4.038 20 0 GIADRO Cc1nc2sccn2c(=O)c1CC[N@@H+](C)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000412007991 823622078 /nfs/dbraw/zinc/62/20/78/823622078.db2.gz JYJJJOFNFIPGMT-PMACEKPBSA-N 1 0 381.545 4.265 20 0 GIADRO CC[C@H](C(=O)Nc1ccc(Cl)cc1NC(=O)c1ccco1)[NH+](CC)CC ZINC000461355869 823622129 /nfs/dbraw/zinc/62/21/29/823622129.db2.gz WUKRJUXZBRIDIJ-MRXNPFEDSA-N 1 0 377.872 4.244 20 0 GIADRO CO[C@@H](C[NH2+][C@@H](c1ccccc1)C1(CO)CCOCC1)c1ccc(Cl)cc1 ZINC000412010808 823622441 /nfs/dbraw/zinc/62/24/41/823622441.db2.gz MMJPYWVHVORQFR-SFTDATJTSA-N 1 0 389.923 4.148 20 0 GIADRO FC(F)(F)C(F)(F)COCC[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412016342 823622820 /nfs/dbraw/zinc/62/28/20/823622820.db2.gz VHLLHRVCIIGLBT-HNNXBMFYSA-N 1 0 379.369 4.054 20 0 GIADRO O=C(Nc1ccc(C[NH2+]Cc2ccc(OCC3CC3)cc2)cc1)c1cccnc1 ZINC000190912625 823623214 /nfs/dbraw/zinc/62/32/14/823623214.db2.gz RZVJXYTZVBIWFK-UHFFFAOYSA-N 1 0 387.483 4.413 20 0 GIADRO COC1([C@H](C)[NH2+]C[C@@H](O)CO[C@@H](c2ccccc2)c2ccccc2C)CCC1 ZINC000412022725 823623315 /nfs/dbraw/zinc/62/33/15/823623315.db2.gz VEHFAGDDYBBGJI-WPYKKVEZSA-N 1 0 383.532 4.009 20 0 GIADRO CCc1nc2ccccc2n1C1CC[NH+]([C@H]2CCCN(CC(C)(C)C)C2=O)CC1 ZINC000461365536 823623595 /nfs/dbraw/zinc/62/35/95/823623595.db2.gz KXSRRJJMNVBPIY-NRFANRHFSA-N 1 0 396.579 4.273 20 0 GIADRO O=C1CCCN1[C@@H]1CCC[N@@H+](CCCCOc2ccccc2C(F)(F)F)CC1 ZINC000412051449 823624243 /nfs/dbraw/zinc/62/42/43/823624243.db2.gz AKTCHKVEYXSZSR-QGZVFWFLSA-N 1 0 398.469 4.341 20 0 GIADRO CC(C)(C)OC(=O)CC[C@H]1CCC[N@H+](Cc2cc(F)cc3c2OCOC3)C1 ZINC000412061486 823625135 /nfs/dbraw/zinc/62/51/35/823625135.db2.gz HRYWEXWDGMLPBY-OAHLLOKOSA-N 1 0 379.472 4.026 20 0 GIADRO Cc1ccc(C)c(NC(=O)[C@@H](C)[NH2+]CC2(c3ccccc3C)CCOCC2)c1 ZINC000062240142 823625704 /nfs/dbraw/zinc/62/57/04/823625704.db2.gz AULDVWYPGVOJKZ-HXUWFJFHSA-N 1 0 380.532 4.277 20 0 GIADRO O=C(c1csc(-c2ccc(Cl)s2)n1)N1CCC([NH+]2CCCC2)CC1 ZINC000062245686 823626065 /nfs/dbraw/zinc/62/60/65/823626065.db2.gz CZLSJAAQALVIOE-UHFFFAOYSA-N 1 0 381.954 4.225 20 0 GIADRO CC(C)(C)OC(=O)CC[C@H]1CCC[N@H+](CCc2nc(-c3ccccc3)no2)C1 ZINC000412082849 823626220 /nfs/dbraw/zinc/62/62/20/823626220.db2.gz XXOMARQPCIRXSG-QGZVFWFLSA-N 1 0 385.508 4.113 20 0 GIADRO Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000124789241 823626277 /nfs/dbraw/zinc/62/62/77/823626277.db2.gz WXNVTZQYLQNBSK-INIZCTEOSA-N 1 0 389.528 4.474 20 0 GIADRO CCc1ccc(Cl)c(CC)c1NC(=O)CCC[N@@H+]1CCC[C@H](CO)[C@@H]1C ZINC000412101123 823626603 /nfs/dbraw/zinc/62/66/03/823626603.db2.gz YGSLULOOXBEGHQ-DOTOQJQBSA-N 1 0 380.960 4.276 20 0 GIADRO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H]1C[C@@]1(F)c1ccccc1 ZINC000412100192 823626613 /nfs/dbraw/zinc/62/66/13/823626613.db2.gz RSXCXKXDOPNMBU-GTKJQCQASA-N 1 0 378.491 4.183 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(OCc2c(F)cccc2Cl)cc1)C(=O)NC(C)(C)C ZINC000062258276 823626662 /nfs/dbraw/zinc/62/66/62/823626662.db2.gz OFIWOGMVUAGABE-CQSZACIVSA-N 1 0 392.902 4.451 20 0 GIADRO CC(C)(C)c1ncc(C[NH2+]Cc2cc(Br)c3c(c2)OCCO3)s1 ZINC000062256610 823626790 /nfs/dbraw/zinc/62/67/90/823626790.db2.gz NWEBNTOFSURDRS-UHFFFAOYSA-N 1 0 397.338 4.264 20 0 GIADRO c1ccc2sc(N3CCC([NH2+]Cc4cccc5c4OCCCO5)CC3)nc2c1 ZINC000062259585 823626885 /nfs/dbraw/zinc/62/68/85/823626885.db2.gz QNQKKKREKGRRFN-UHFFFAOYSA-N 1 0 395.528 4.216 20 0 GIADRO CCOc1cc(C[NH2+][C@H](C)C(=O)NC(C)(C)C)ccc1OCc1ccccc1 ZINC000062258335 823626928 /nfs/dbraw/zinc/62/69/28/823626928.db2.gz YONRXKVCTMJXHS-QGZVFWFLSA-N 1 0 384.520 4.057 20 0 GIADRO C[C@H]([NH2+]C1(CNC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)CCOCC1)c1ccccc1 ZINC000412114007 823627302 /nfs/dbraw/zinc/62/73/02/823627302.db2.gz IQVFTWZWJBPMJO-KWOQKUFVSA-N 1 0 392.543 4.196 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2cccc(O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000412118552 823627664 /nfs/dbraw/zinc/62/76/64/823627664.db2.gz DSJNRCHTXZPKPM-HQAQVQPGSA-N 1 0 378.516 4.007 20 0 GIADRO C[C@@H]1CCCN(C(=O)C2CC[NH+](CCOc3ccccc3C(F)(F)F)CC2)C1 ZINC000124836360 823629833 /nfs/dbraw/zinc/62/98/33/823629833.db2.gz ZSIYKIXRINZJRJ-MRXNPFEDSA-N 1 0 398.469 4.055 20 0 GIADRO CCC(CC)(C[NH2+]Cc1c[nH]nc1-c1cccnc1)c1ccc(OC)c(OC)c1 ZINC000461401701 823630005 /nfs/dbraw/zinc/63/00/05/823630005.db2.gz TXDJKPQMXBPLRP-UHFFFAOYSA-N 1 0 394.519 4.337 20 0 GIADRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000062372711 823630152 /nfs/dbraw/zinc/63/01/52/823630152.db2.gz JVMJZXYBDPVIPT-UHFFFAOYSA-N 1 0 398.526 4.412 20 0 GIADRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000062372649 823630231 /nfs/dbraw/zinc/63/02/31/823630231.db2.gz VSTJYWFPVONIMK-UHFFFAOYSA-N 1 0 399.388 4.320 20 0 GIADRO CC[C@H](NC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)c1nccs1 ZINC000124841339 823630210 /nfs/dbraw/zinc/63/02/10/823630210.db2.gz ISFZEARCCJBESX-IBGZPJMESA-N 1 0 386.565 4.470 20 0 GIADRO CCCCc1nnc(NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)s1 ZINC000062375289 823630756 /nfs/dbraw/zinc/63/07/56/823630756.db2.gz PBKYJAKCTUFUPU-UHFFFAOYSA-N 1 0 379.574 4.047 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H]1CC(C)(C)Oc2ccccc21 ZINC000412154946 823631089 /nfs/dbraw/zinc/63/10/89/823631089.db2.gz CVMQRNKUHAXUFI-BVYCBKJFSA-N 1 0 392.543 4.358 20 0 GIADRO COc1ccccc1[C@@H](CC(C)C)NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412156705 823631207 /nfs/dbraw/zinc/63/12/07/823631207.db2.gz KBDINSAVUALZRN-AZUAARDMSA-N 1 0 390.593 4.116 20 0 GIADRO COc1ccccc1[C@H](CC(C)C)NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412156706 823631219 /nfs/dbraw/zinc/63/12/19/823631219.db2.gz KBDINSAVUALZRN-ICSRJNTNSA-N 1 0 390.593 4.116 20 0 GIADRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)Nc1cccc(OC(F)(F)F)c1 ZINC000062384497 823631632 /nfs/dbraw/zinc/63/16/32/823631632.db2.gz GAOJHCMHXMBFNI-UHFFFAOYSA-N 1 0 399.388 4.320 20 0 GIADRO C[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000412161004 823631648 /nfs/dbraw/zinc/63/16/48/823631648.db2.gz LANCEEWUJBEJEY-OAHLLOKOSA-N 1 0 398.469 4.287 20 0 GIADRO Cc1nc2ccc(NC(=O)N(CC[NH+](C)C)Cc3ccc(F)c(F)c3)cc2o1 ZINC000062385072 823631730 /nfs/dbraw/zinc/63/17/30/823631730.db2.gz SPHIRJMMGZAPBS-UHFFFAOYSA-N 1 0 388.418 4.010 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)C[C@H](c2ccc(O)cc2)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000412169635 823632436 /nfs/dbraw/zinc/63/24/36/823632436.db2.gz CCZJMYXGWRQDPO-XANCMCCPSA-N 1 0 392.543 4.445 20 0 GIADRO O=C([C@@H]1CCCc2sccc21)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461419862 823632507 /nfs/dbraw/zinc/63/25/07/823632507.db2.gz AHWAFJBUCHZBFX-SFHLNBCPSA-N 1 0 380.557 4.149 20 0 GIADRO O=C(CCCc1ccc(F)c(F)c1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461419891 823632680 /nfs/dbraw/zinc/63/26/80/823632680.db2.gz ARFJNXUBRFAHRX-LEWJYISDSA-N 1 0 398.497 4.268 20 0 GIADRO O=C(c1ccc(-c2ccccc2)[nH]1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461421479 823633057 /nfs/dbraw/zinc/63/30/57/823633057.db2.gz CPGMQTSPJOQNBN-VXKWHMMOSA-N 1 0 385.511 4.276 20 0 GIADRO Cc1ccc(CCCC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)s1 ZINC000461421467 823633065 /nfs/dbraw/zinc/63/30/65/823633065.db2.gz COWHWOYTQAJGML-RTWAWAEBSA-N 1 0 382.573 4.360 20 0 GIADRO O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000412181510 823633433 /nfs/dbraw/zinc/63/34/33/823633433.db2.gz YIFNQQSZVXQFIG-URXFXBBRSA-N 1 0 398.616 4.101 20 0 GIADRO C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000461423245 823633482 /nfs/dbraw/zinc/63/34/82/823633482.db2.gz KBDPJTASCKTSBJ-GJZGRUSLSA-N 1 0 385.335 4.095 20 0 GIADRO Cc1ccc(CNC(=O)C2CC[NH+](C[C@H]3CCC4(CCCCC4)O3)CC2)cc1 ZINC000190978104 823633699 /nfs/dbraw/zinc/63/36/99/823633699.db2.gz BFDRUKMAWINXNE-JOCHJYFZSA-N 1 0 384.564 4.205 20 0 GIADRO O=C(c1cncc(-c2ccccc2)c1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461424657 823633827 /nfs/dbraw/zinc/63/38/27/823633827.db2.gz HXFBKDSEHOJPJG-DHLKQENFSA-N 1 0 397.522 4.343 20 0 GIADRO CCNC(=O)COc1cccc(C[NH2+][C@@H](C)c2cc3cc(C)c(C)cc3o2)c1 ZINC000124895532 823634651 /nfs/dbraw/zinc/63/46/51/823634651.db2.gz QFRPYGLWUARGEC-KRWDZBQOSA-N 1 0 380.488 4.415 20 0 GIADRO CCOc1c(Br)cc(C[NH2+]C[C@H](C)N2CCC(C)CC2)cc1OC ZINC000062423474 823634875 /nfs/dbraw/zinc/63/48/75/823634875.db2.gz SLLAOUZWZNFLDK-HNNXBMFYSA-N 1 0 399.373 4.066 20 0 GIADRO COc1ccc2cc(CNC(=O)NC[C@@H](c3ccc(C)cc3)[NH+](C)C)ccc2c1 ZINC000062428216 823635170 /nfs/dbraw/zinc/63/51/70/823635170.db2.gz XMALMJWHQLFKKM-QHCPKHFHSA-N 1 0 391.515 4.259 20 0 GIADRO CS[C@H](C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)c1ccccc1 ZINC000461433109 823636079 /nfs/dbraw/zinc/63/60/79/823636079.db2.gz PONBQKZGWPXXDQ-BDTNDASRSA-N 1 0 380.557 4.071 20 0 GIADRO O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N1CCCC[C@@H]1CCc1ccccc1 ZINC000412215140 823636434 /nfs/dbraw/zinc/63/64/34/823636434.db2.gz HAFHQMJKSOAFGN-YADHBBJMSA-N 1 0 386.605 4.218 20 0 GIADRO O=C(c1ccn(Cc2ccccc2)c1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461434019 823636384 /nfs/dbraw/zinc/63/63/84/823636384.db2.gz XTLZRXGVAGVWSB-ZCYQVOJMSA-N 1 0 399.538 4.131 20 0 GIADRO CCc1nc(CN2CCC(C[NH2+]Cc3ccc(Br)o3)CC2)cs1 ZINC000190999076 823636634 /nfs/dbraw/zinc/63/66/34/823636634.db2.gz NEOHDGABBXOCRG-UHFFFAOYSA-N 1 0 398.370 4.063 20 0 GIADRO Cc1oc2ccccc2c1CC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461436064 823637008 /nfs/dbraw/zinc/63/70/08/823637008.db2.gz MYAFSDIUSXREGJ-LEWJYISDSA-N 1 0 388.511 4.264 20 0 GIADRO Cc1oc2ccccc2c1CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461436066 823637033 /nfs/dbraw/zinc/63/70/33/823637033.db2.gz MYAFSDIUSXREGJ-RTWAWAEBSA-N 1 0 388.511 4.264 20 0 GIADRO CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1)c1ccc(OC)cc1 ZINC000062475351 823637048 /nfs/dbraw/zinc/63/70/48/823637048.db2.gz XELSNOUJJPNJBZ-OAQYLSRUSA-N 1 0 387.499 4.059 20 0 GIADRO COc1ccc([C@@H](CNC(=O)N2CC3C[C@@H]4CC2C[C@H](C3)C4)[NH+]2CCCC2)cc1 ZINC000062474334 823637067 /nfs/dbraw/zinc/63/70/67/823637067.db2.gz YDNJBLRZAZNPIF-LZRQGGCMSA-N 1 0 397.563 4.052 20 0 GIADRO Cc1ccnc(Oc2ccc(NC(=O)NCCCC[N@H+]3CCC[C@@H](C)C3)cc2)n1 ZINC000124920016 823637128 /nfs/dbraw/zinc/63/71/28/823637128.db2.gz BVFXTUBAJGENNQ-QGZVFWFLSA-N 1 0 397.523 4.211 20 0 GIADRO O=C(c1ccccc1C(F)(F)F)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461437829 823637293 /nfs/dbraw/zinc/63/72/93/823637293.db2.gz VSDUQLSRRBTBQM-QZTJIDSGSA-N 1 0 388.433 4.300 20 0 GIADRO Cc1cccc(OCCCC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000461437371 823637326 /nfs/dbraw/zinc/63/73/26/823637326.db2.gz GQYIHAKIZBMKEV-XZOQPEGZSA-N 1 0 392.543 4.135 20 0 GIADRO Cc1noc(C)c1C[C@H](C)NC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000124925368 823637660 /nfs/dbraw/zinc/63/76/60/823637660.db2.gz VNIIFXNDNKHVOG-KRWDZBQOSA-N 1 0 398.551 4.098 20 0 GIADRO CSCc1ccc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000461439327 823637731 /nfs/dbraw/zinc/63/77/31/823637731.db2.gz QTZRXPQQKXSVSP-FGZHOGPDSA-N 1 0 380.557 4.144 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)C[C@H](c1ccc(O)cc1)C1CC1 ZINC000412230500 823637904 /nfs/dbraw/zinc/63/79/04/823637904.db2.gz SBLDVOFEXNDJPP-QHCPKHFHSA-N 1 0 393.531 4.046 20 0 GIADRO O=C(Cc1c(F)cccc1Cl)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461440701 823638068 /nfs/dbraw/zinc/63/80/68/823638068.db2.gz CRTNRFDJBMGRGU-MSOLQXFVSA-N 1 0 386.898 4.002 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)Nc3cc(C)c(O)c(C)c3C)c(C)c2)CC1 ZINC000191015351 823638201 /nfs/dbraw/zinc/63/82/01/823638201.db2.gz CRDZKXIBXWQTGV-UHFFFAOYSA-N 1 0 396.535 4.412 20 0 GIADRO Cc1cc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c2ccccc2n1 ZINC000461444541 823638843 /nfs/dbraw/zinc/63/88/43/823638843.db2.gz KZZWHHHSKQOGHQ-NHCUHLMSSA-N 1 0 385.511 4.137 20 0 GIADRO Cn1cc(-c2cccc(CNC(=O)c3cccc(C[NH+]4CCCCC4)c3)c2)cn1 ZINC000412239774 823638821 /nfs/dbraw/zinc/63/88/21/823638821.db2.gz ZVRFPJCVNFXZNH-UHFFFAOYSA-N 1 0 388.515 4.003 20 0 GIADRO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000412242243 823639070 /nfs/dbraw/zinc/63/90/70/823639070.db2.gz CVQSAOVPJFEMNO-DYESRHJHSA-N 1 0 390.568 4.139 20 0 GIADRO O=C(NCC1(Cc2ccccc2)CCCC1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412243285 823639160 /nfs/dbraw/zinc/63/91/60/823639160.db2.gz FDFYYVQWJFPGMB-OAQYLSRUSA-N 1 0 386.605 4.123 20 0 GIADRO Cc1c2cc(C)ccc2[nH]c1C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461445761 823639221 /nfs/dbraw/zinc/63/92/21/823639221.db2.gz IHGSGWFVIWXMRR-LEWJYISDSA-N 1 0 387.527 4.379 20 0 GIADRO O=C([C@@H]1C[C@@H]1c1cccc(Cl)c1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461447068 823639477 /nfs/dbraw/zinc/63/94/77/823639477.db2.gz DXTRTDWWYWKJST-KKSHJYNMSA-N 1 0 394.946 4.424 20 0 GIADRO Cc1ccc2cc(C(=O)N3C[C@H]4CC[N@H+](Cc5ccccc5)C[C@@H]4C3)ccc2n1 ZINC000461449949 823639974 /nfs/dbraw/zinc/63/99/74/823639974.db2.gz PLMQKAHYFCQHJU-DHIUTWEWSA-N 1 0 385.511 4.137 20 0 GIADRO CCOc1ccc(Oc2cc(CNC3CC[NH+](CC4CC4)CC3)ccn2)cc1 ZINC000124954845 823640039 /nfs/dbraw/zinc/64/00/39/823640039.db2.gz YIAMQRMQCFCQSV-UHFFFAOYSA-N 1 0 381.520 4.237 20 0 GIADRO O=C(c1c[nH]cc1-c1ccccc1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461450446 823640212 /nfs/dbraw/zinc/64/02/12/823640212.db2.gz XRFCXOJLNICWAH-FCHUYYIVSA-N 1 0 385.511 4.276 20 0 GIADRO COc1ccc([C@@H](NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)C2CC2)cc1 ZINC000062529047 823640233 /nfs/dbraw/zinc/64/02/33/823640233.db2.gz FULZHCLEWFRQGA-QHCPKHFHSA-N 1 0 399.579 4.490 20 0 GIADRO COc1ccc(OC)c([C@H](O)C[NH2+][C@H](C)c2ccc(OC)c3ccccc32)c1 ZINC000124956451 823640438 /nfs/dbraw/zinc/64/04/38/823640438.db2.gz CGVMBBIHYHRHIA-QVKFZJNVSA-N 1 0 381.472 4.250 20 0 GIADRO C[C@H](Sc1ccccc1)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461452868 823640678 /nfs/dbraw/zinc/64/06/78/823640678.db2.gz YMPNEJWVJHDFHV-TYPHKJRUSA-N 1 0 380.557 4.148 20 0 GIADRO O=C(Cc1coc2cc(F)ccc12)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461455648 823641311 /nfs/dbraw/zinc/64/13/11/823641311.db2.gz MDXYVLONADCOQL-QUCCMNQESA-N 1 0 392.474 4.095 20 0 GIADRO Cc1cc(C)cc(CCC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000461455415 823641320 /nfs/dbraw/zinc/64/13/20/823641320.db2.gz KGDIOURKBXDQKW-RPWUZVMVSA-N 1 0 376.544 4.217 20 0 GIADRO O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412267306 823641591 /nfs/dbraw/zinc/64/15/91/823641591.db2.gz HIYHZFBZGROPQX-DHIUTWEWSA-N 1 0 378.516 4.323 20 0 GIADRO Cc1cc(CNC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)ccc1-c1ccccc1 ZINC000412268529 823641764 /nfs/dbraw/zinc/64/17/64/823641764.db2.gz JBDSWJRLVLZTJJ-JOCHJYFZSA-N 1 0 394.584 4.496 20 0 GIADRO C[C@H](Cc1cccc(Cl)c1)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461458910 823641858 /nfs/dbraw/zinc/64/18/58/823641858.db2.gz WMRMFPIMBKSNQX-QIJUGHKUSA-N 1 0 396.962 4.499 20 0 GIADRO C[C@H](Cc1cccc(Cl)c1)C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461458911 823641890 /nfs/dbraw/zinc/64/18/90/823641890.db2.gz WMRMFPIMBKSNQX-STZQEDGTSA-N 1 0 396.962 4.499 20 0 GIADRO CC(C)Oc1ccccc1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461459111 823642066 /nfs/dbraw/zinc/64/20/66/823642066.db2.gz ZFRBVKGQILFOCY-RTWAWAEBSA-N 1 0 378.516 4.068 20 0 GIADRO COCc1ccc([C@H]2CCCN2C(=O)c2cccc(C[NH+]3CCCCC3)c2)o1 ZINC000412272935 823642119 /nfs/dbraw/zinc/64/21/19/823642119.db2.gz QOEWCANYTGEZHQ-OAQYLSRUSA-N 1 0 382.504 4.389 20 0 GIADRO Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412275998 823642287 /nfs/dbraw/zinc/64/22/87/823642287.db2.gz UCKPVVHWYDISEE-QGZVFWFLSA-N 1 0 382.552 4.423 20 0 GIADRO C[N@@H+]1CCC[C@H](NC(=O)N[C@@H](c2cccs2)c2ccc3c(c2)CCCC3)C1 ZINC000062646421 823643113 /nfs/dbraw/zinc/64/31/13/823643113.db2.gz VZVSHCADUSOBPM-PZJWPPBQSA-N 1 0 383.561 4.110 20 0 GIADRO Cc1ccc([C@@H](C[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)N2CCCC2)cc1 ZINC000124992186 823643313 /nfs/dbraw/zinc/64/33/13/823643313.db2.gz XZBHVECSJUYDSM-WMZHIEFXSA-N 1 0 393.531 4.439 20 0 GIADRO O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@H]1CCCc2c(O)cccc21 ZINC000461467738 823643410 /nfs/dbraw/zinc/64/34/10/823643410.db2.gz VGHBJBWSELTMMY-OFNKIYASSA-N 1 0 392.543 4.231 20 0 GIADRO CC(C)[C@H](C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000461469102 823643585 /nfs/dbraw/zinc/64/35/85/823643585.db2.gz UUIPBEPFQIZTBU-GGAORHGYSA-N 1 0 379.548 4.240 20 0 GIADRO Cc1cnc(C2CCN(C(=O)c3cccc(C[NH+]4CCCCC4)c3)CC2)s1 ZINC000412298932 823644429 /nfs/dbraw/zinc/64/44/29/823644429.db2.gz ZEKYUDFLZKKFNI-UHFFFAOYSA-N 1 0 383.561 4.457 20 0 GIADRO O=C(CCCc1ccc(Br)s1)N1CCC[N@H+](CC2CCC2)CC1 ZINC000412306534 823644890 /nfs/dbraw/zinc/64/48/90/823644890.db2.gz FQULBPYQIGNNNY-UHFFFAOYSA-N 1 0 399.398 4.168 20 0 GIADRO Cc1ccc(NC(=O)c2cccc(C[NH+]3CCCCC3)c2)cc1NC(=O)N(C)C ZINC000412308062 823645048 /nfs/dbraw/zinc/64/50/48/823645048.db2.gz NAUOZJDTHASVSW-UHFFFAOYSA-N 1 0 394.519 4.327 20 0 GIADRO O=C(N[C@@H]1C[C@H]1c1cccc2ccccc21)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412309095 823645327 /nfs/dbraw/zinc/64/53/27/823645327.db2.gz KDVSQSAENKPLKT-BVYCBKJFSA-N 1 0 380.557 4.029 20 0 GIADRO C[C@@H](NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1cccc(O)c1 ZINC000191076904 823645555 /nfs/dbraw/zinc/64/55/55/823645555.db2.gz JWNLFDJPFSIOBW-OPYAIIAOSA-N 1 0 381.520 4.148 20 0 GIADRO OC[C@@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000191085271 823646770 /nfs/dbraw/zinc/64/67/70/823646770.db2.gz NFTDKNZTSHYECZ-LLVKDONJSA-N 1 0 399.741 4.339 20 0 GIADRO C[C@]1(c2ccccc2)CCCN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC1 ZINC000412329023 823646909 /nfs/dbraw/zinc/64/69/09/823646909.db2.gz DIABEUPGJCTSAW-GMAHTHKFSA-N 1 0 386.605 4.174 20 0 GIADRO CCc1ccc([C@@H]2CCCN(C(=O)C3CC[NH+]([C@@H]4CCSC4)CC3)C2)cc1 ZINC000412330964 823647242 /nfs/dbraw/zinc/64/72/42/823647242.db2.gz DCWBKUZNBIQDJS-FGZHOGPDSA-N 1 0 386.605 4.173 20 0 GIADRO COCCOC1CC[NH+](Cc2ccc(Oc3ccccc3F)c(F)c2)CC1 ZINC000125040476 823647344 /nfs/dbraw/zinc/64/73/44/823647344.db2.gz NCLLNJWYUAJEGK-UHFFFAOYSA-N 1 0 377.431 4.385 20 0 GIADRO Cn1ccnc1[C@@H](O)[C@H]1CCC[N@H+](CCCCc2cccc(C(F)(F)F)c2)C1 ZINC000191092230 823647841 /nfs/dbraw/zinc/64/78/41/823647841.db2.gz APKQAFSJROQVIJ-HKUYNNGSSA-N 1 0 395.469 4.207 20 0 GIADRO CC(C)[C@H](CNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)c1ccc(Cl)cc1 ZINC000412339106 823648288 /nfs/dbraw/zinc/64/82/88/823648288.db2.gz OZSMWGGTVMZUFI-PMACEKPBSA-N 1 0 395.012 4.413 20 0 GIADRO Cc1cccc(-c2cnc(NC(=O)C3CC[NH+]([C@@H]4CCSC4)CC3)s2)c1 ZINC000412341844 823648456 /nfs/dbraw/zinc/64/84/56/823648456.db2.gz FXFKLKUSQBZKCB-QGZVFWFLSA-N 1 0 387.574 4.275 20 0 GIADRO CC[N@@H+]1CCCN(c2nnc(CC3CCCCC3)n2Cc2cccs2)CC1 ZINC000461498187 823648944 /nfs/dbraw/zinc/64/89/44/823648944.db2.gz NKZXLTPNCRHRHA-UHFFFAOYSA-N 1 0 387.597 4.043 20 0 GIADRO Fc1cc(C(F)(F)F)cc(C2(C[NH2+]Cc3c[nH]nc3-c3cccnc3)CC2)c1 ZINC000191099809 823649066 /nfs/dbraw/zinc/64/90/66/823649066.db2.gz VJVNFDLPQPEDDU-UHFFFAOYSA-N 1 0 390.384 4.451 20 0 GIADRO C[C@H](NC(=O)c1cccc(C[NH+]2CCCCC2)c1)[C@H]1OCCc2sccc21 ZINC000412354130 823649129 /nfs/dbraw/zinc/64/91/29/823649129.db2.gz APGYNJPJZGQMFE-HRAATJIYSA-N 1 0 384.545 4.166 20 0 GIADRO COc1cccc(O[C@@H](C)C[NH2+][C@H](C)c2ccc(NC(=O)NC3CC3)cc2)c1 ZINC000125062650 823649232 /nfs/dbraw/zinc/64/92/32/823649232.db2.gz HRDYNCKDDUEVLQ-JKSUJKDBSA-N 1 0 383.492 4.097 20 0 GIADRO Cc1nc(NC(=O)c2cccc(C[NH+]3CCCCC3)c2)ccc1-c1cnn(C)c1 ZINC000412358777 823649460 /nfs/dbraw/zinc/64/94/60/823649460.db2.gz BLFIHFNCITZACW-UHFFFAOYSA-N 1 0 389.503 4.029 20 0 GIADRO COCCN(C)c1ccc(C[NH2+][C@@H](Cc2ccccc2)c2cccs2)cn1 ZINC000191102766 823649560 /nfs/dbraw/zinc/64/95/60/823649560.db2.gz YJBVNHDCWZONIC-FQEVSTJZSA-N 1 0 381.545 4.299 20 0 GIADRO C[C@H](c1nnc(SCC[C@H]2CCC[N@@H+]2C)n1-c1ccccc1)N1CCCCC1 ZINC000125075762 823650209 /nfs/dbraw/zinc/65/02/09/823650209.db2.gz PTPJTGPANKSAEL-RTBURBONSA-N 1 0 399.608 4.391 20 0 GIADRO Cc1sc(-c2ccco2)nc1C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000063080451 823650325 /nfs/dbraw/zinc/65/03/25/823650325.db2.gz UCDLRBBBDSYPDQ-UHFFFAOYSA-N 1 0 395.528 4.354 20 0 GIADRO CCn1cc(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)c2ccccc21 ZINC000063080730 823650571 /nfs/dbraw/zinc/65/05/71/823650571.db2.gz DKLQOCWZPKLWBP-UHFFFAOYSA-N 1 0 375.516 4.303 20 0 GIADRO Cc1cc(OCC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)ccc1Cl ZINC000063081361 823650728 /nfs/dbraw/zinc/65/07/28/823650728.db2.gz ZWVVXUFDPFWBSA-UHFFFAOYSA-N 1 0 386.923 4.056 20 0 GIADRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)c1ccc(OCC2CC2)cc1 ZINC000063081845 823650736 /nfs/dbraw/zinc/65/07/36/823650736.db2.gz OMQHEWYLQBLMEL-UHFFFAOYSA-N 1 0 378.516 4.117 20 0 GIADRO Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000125086593 823650848 /nfs/dbraw/zinc/65/08/48/823650848.db2.gz UZWVXNOWMWKGHS-QGZVFWFLSA-N 1 0 394.519 4.101 20 0 GIADRO O=C(NCc1ccnc(C(F)(F)F)c1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412386806 823651774 /nfs/dbraw/zinc/65/17/74/823651774.db2.gz UTCINWLKIROJLK-UHFFFAOYSA-N 1 0 377.410 4.016 20 0 GIADRO CN(Cc1ccc(Cl)cc1)C(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000063143843 823652495 /nfs/dbraw/zinc/65/24/95/823652495.db2.gz MTKIUKWRYJLVPY-UHFFFAOYSA-N 1 0 387.980 4.311 20 0 GIADRO COc1ccc(NC(=S)NC2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000063142896 823652540 /nfs/dbraw/zinc/65/25/40/823652540.db2.gz CPSICAYJIFWKNI-UHFFFAOYSA-N 1 0 389.952 4.300 20 0 GIADRO S=C(NCC1(c2ccccc2)CCC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000063146181 823652757 /nfs/dbraw/zinc/65/27/57/823652757.db2.gz VSJOOUFXLWIJRC-UHFFFAOYSA-N 1 0 393.600 4.237 20 0 GIADRO S=C(NNc1cccc2c1CCCC2)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000063149912 823653105 /nfs/dbraw/zinc/65/31/05/823653105.db2.gz QUBVAZBLVWDGRX-UHFFFAOYSA-N 1 0 394.588 4.021 20 0 GIADRO C[NH+]1CCC(NC(=S)N[C@@H](c2ccc(F)cc2)c2ccccc2Cl)CC1 ZINC000063149654 823653111 /nfs/dbraw/zinc/65/31/11/823653111.db2.gz YVOZURAUYMUCOS-IBGZPJMESA-N 1 0 391.943 4.127 20 0 GIADRO CC(C)Oc1ccccc1CNC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000063150333 823653131 /nfs/dbraw/zinc/65/31/31/823653131.db2.gz TWFJBTIVFBZONB-UHFFFAOYSA-N 1 0 397.588 4.103 20 0 GIADRO Cc1ccnc(Oc2ccc(NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)cc2)n1 ZINC000125124852 823653231 /nfs/dbraw/zinc/65/32/31/823653231.db2.gz QBNVQBKOUYYBHZ-SFHVURJKSA-N 1 0 385.512 4.065 20 0 GIADRO C[NH+](C)CCCCCCCNC(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000125126193 823653470 /nfs/dbraw/zinc/65/34/70/823653470.db2.gz HHMKOKNOXNLPKL-GOSISDBHSA-N 1 0 386.540 4.229 20 0 GIADRO Clc1sc(C[NH2+]CCCOCC2CCOCC2)cc1Br ZINC000191166106 823655433 /nfs/dbraw/zinc/65/54/33/823655433.db2.gz ADTTVIPLGVSZLY-UHFFFAOYSA-N 1 0 382.751 4.087 20 0 GIADRO CCOC(CN1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1)OCC ZINC000125158751 823655685 /nfs/dbraw/zinc/65/56/85/823655685.db2.gz ZXMODTMBQZIGFS-UHFFFAOYSA-N 1 0 388.474 4.001 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)c1ccco1)c1ccc(Br)cc1Br ZINC000125173716 823656720 /nfs/dbraw/zinc/65/67/20/823656720.db2.gz OSIYSCQBTNLLCF-NOZJJQNGSA-N 1 0 389.087 4.189 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc(OCC(=O)NC2CC2)cc1)c1csc(Cl)c1 ZINC000191184896 823657252 /nfs/dbraw/zinc/65/72/52/823657252.db2.gz XEFPYMADZDTMSI-CHWSQXEVSA-N 1 0 378.925 4.471 20 0 GIADRO O=C(NCc1ccccc1)C1CC[NH+](Cc2ccc(OCC3CC3)cc2)CC1 ZINC000191191343 823658118 /nfs/dbraw/zinc/65/81/18/823658118.db2.gz FZABTFCNIBUGHU-UHFFFAOYSA-N 1 0 378.516 4.004 20 0 GIADRO Cc1c([C@@H](C)[NH2+]C[C@@H](O)COc2ccc(C(F)(F)F)cc2)cnn1C(C)(C)C ZINC000191208683 823659218 /nfs/dbraw/zinc/65/92/18/823659218.db2.gz KSYVPKCSEGGPRJ-CZUORRHYSA-N 1 0 399.457 4.056 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNc3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000063282548 823659669 /nfs/dbraw/zinc/65/96/69/823659669.db2.gz HFEBZXKDKGXBKK-UHFFFAOYSA-N 1 0 379.426 4.433 20 0 GIADRO CCC[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1)c1ccsc1 ZINC000191219457 823660192 /nfs/dbraw/zinc/66/01/92/823660192.db2.gz QDEDRXNAELLUOW-IBGZPJMESA-N 1 0 380.579 4.408 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1)c1csc(Cl)c1 ZINC000191224356 823660704 /nfs/dbraw/zinc/66/07/04/823660704.db2.gz WAIJEQUKLVALLN-ZDUSSCGKSA-N 1 0 384.954 4.037 20 0 GIADRO CC(C)Oc1ccccc1C[NH+]1CCC(C(=O)NCCc2cccs2)CC1 ZINC000063301017 823661159 /nfs/dbraw/zinc/66/11/59/823661159.db2.gz OMODVCDFDBCYHD-UHFFFAOYSA-N 1 0 386.561 4.106 20 0 GIADRO C[C@@H](c1ccc(F)cc1F)[NH+]1CCC(C(=O)NCCc2cccs2)CC1 ZINC000063301026 823661164 /nfs/dbraw/zinc/66/11/64/823661164.db2.gz GBZZPJIGGWKVPU-AWEZNQCLSA-N 1 0 378.488 4.158 20 0 GIADRO COc1ccc(C(=O)CCCCC(=O)Nc2ccc(C[NH+](C)C)cc2F)cc1 ZINC000412556613 823661878 /nfs/dbraw/zinc/66/18/78/823661878.db2.gz FTQRCCSXTBZCRZ-UHFFFAOYSA-N 1 0 386.467 4.278 20 0 GIADRO C[NH+](C)Cc1ccc(NC(=O)Cc2ccc(NC(=O)CC(C)(C)C)cc2)c(F)c1 ZINC000412555998 823661896 /nfs/dbraw/zinc/66/18/96/823661896.db2.gz DEVWLQHAHHXCDT-UHFFFAOYSA-N 1 0 399.510 4.443 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)c1oc2ccc(F)cc2c1C ZINC000412560039 823662208 /nfs/dbraw/zinc/66/22/08/823662208.db2.gz AIQPEBFXIBGQOI-UHFFFAOYSA-N 1 0 386.423 4.082 20 0 GIADRO CC(C)Oc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000412560938 823662352 /nfs/dbraw/zinc/66/23/52/823662352.db2.gz RQKFBGDVXKDWCJ-UHFFFAOYSA-N 1 0 399.388 4.341 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)c1cc2cc(Cl)ccc2o1 ZINC000412564391 823663007 /nfs/dbraw/zinc/66/30/07/823663007.db2.gz NZMRNJYQYYEWPQ-UHFFFAOYSA-N 1 0 388.851 4.288 20 0 GIADRO C[C@H](CC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(Br)cc1 ZINC000125258887 823663066 /nfs/dbraw/zinc/66/30/66/823663066.db2.gz MXOSHWOXJBDSDD-CYBMUJFWSA-N 1 0 381.358 4.368 20 0 GIADRO CC(C)(C)c1ccncc1CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000412568036 823663074 /nfs/dbraw/zinc/66/30/74/823663074.db2.gz DWFCDGJMHUSKBS-UHFFFAOYSA-N 1 0 379.548 4.298 20 0 GIADRO COc1ccccc1CC(=O)N1CCC([NH2+][C@@H](C)c2csc(Cl)c2)CC1 ZINC000191247281 823663155 /nfs/dbraw/zinc/66/31/55/823663155.db2.gz LRMLBZCBIJKZRX-AWEZNQCLSA-N 1 0 392.952 4.294 20 0 GIADRO Cc1csc(=O)n1CC[NH2+]C1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000191247994 823663195 /nfs/dbraw/zinc/66/31/95/823663195.db2.gz YFJXRMJSXLWBBC-UHFFFAOYSA-N 1 0 376.831 4.169 20 0 GIADRO Cc1cc(NC(=O)CC[NH2+]C2(c3cc(C(F)(F)F)ccc3Cl)CC2)no1 ZINC000191248238 823663203 /nfs/dbraw/zinc/66/32/03/823663203.db2.gz OTQQFDHNTLKVHD-UHFFFAOYSA-N 1 0 387.789 4.263 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)c1cc(C)c(Cl)cc1C ZINC000412571154 823663465 /nfs/dbraw/zinc/66/34/65/823663465.db2.gz KGROLUCKSYBVKR-UHFFFAOYSA-N 1 0 376.884 4.158 20 0 GIADRO COc1cc([C@@H](C)[NH2+]C[C@H](O)c2ccc(C(C)(C)C)cc2)cc(OC)c1OC ZINC000125269397 823663573 /nfs/dbraw/zinc/66/35/73/823663573.db2.gz WPWAJUDWAFLUIO-BEFAXECRSA-N 1 0 387.520 4.394 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)C[C@@H](C)c1c[nH]c2ccccc21 ZINC000412585223 823664533 /nfs/dbraw/zinc/66/45/33/823664533.db2.gz XRQNYCGPNSAOKI-MRXNPFEDSA-N 1 0 395.503 4.249 20 0 GIADRO CC(C)(C)OC(=O)N1CCC(Nc2cccc(C[NH+]3CCSCC3)c2)CC1 ZINC000125288854 823665286 /nfs/dbraw/zinc/66/52/86/823665286.db2.gz XWTDUGYDNUGWDC-UHFFFAOYSA-N 1 0 391.581 4.047 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@H](C)Cn2cc(Br)cn2)ccc1OC(C)C ZINC000125300311 823666070 /nfs/dbraw/zinc/66/60/70/823666070.db2.gz VKIWYHQZHBVMGU-KGLIPLIRSA-N 1 0 396.329 4.181 20 0 GIADRO CCc1ccc(NC(=O)NCC2CC[NH+](Cc3ccc(OC)cc3)CC2)cc1 ZINC000063388890 823666348 /nfs/dbraw/zinc/66/63/48/823666348.db2.gz CWTGVSKATCFIRQ-UHFFFAOYSA-N 1 0 381.520 4.291 20 0 GIADRO CCOc1ccc(NC(=O)NC2CC[NH+](CC3CCCC3)CC2)cc1OCC ZINC000063389292 823666542 /nfs/dbraw/zinc/66/65/42/823666542.db2.gz ACGPSIGXQAKYQW-UHFFFAOYSA-N 1 0 389.540 4.260 20 0 GIADRO C[N@H+](Cc1ccc(OCC2CC2)cc1)C1CCN(CCc2ccccn2)CC1 ZINC000191284397 823667296 /nfs/dbraw/zinc/66/72/96/823667296.db2.gz BJSRSUQNLFUEBX-UHFFFAOYSA-N 1 0 379.548 4.009 20 0 GIADRO Cc1ccc(-n2cccn2)cc1NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000191285435 823667466 /nfs/dbraw/zinc/66/74/66/823667466.db2.gz JZTXFCMBNUWCAQ-LJQANCHMSA-N 1 0 395.532 4.201 20 0 GIADRO CCOc1cccc([C@H](C)NC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000063404845 823668815 /nfs/dbraw/zinc/66/88/15/823668815.db2.gz KQIINVWVRKFXQJ-QFBILLFUSA-N 1 0 387.549 4.344 20 0 GIADRO Cc1c([C@H](C)NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)cnn1C(C)C ZINC000191300512 823669089 /nfs/dbraw/zinc/66/90/89/823669089.db2.gz GAKMQIJAEXEMAU-OALUTQOASA-N 1 0 384.568 4.323 20 0 GIADRO C[C@@H](CCc1ccccc1)[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191302958 823669149 /nfs/dbraw/zinc/66/91/49/823669149.db2.gz VRNOYUPYRRQGMW-AWEZNQCLSA-N 1 0 384.471 4.090 20 0 GIADRO CCN(CCC[NH+](C)C)C(=O)Nc1ccc(Br)cc1C(F)(F)F ZINC000191305999 823669531 /nfs/dbraw/zinc/66/95/31/823669531.db2.gz LHPRZNSDTSNLIE-UHFFFAOYSA-N 1 0 396.251 4.273 20 0 GIADRO Fc1cccnc1N1CC[C@H]([NH2+]Cc2cc(Br)c(Cl)s2)C1 ZINC000191308655 823669872 /nfs/dbraw/zinc/66/98/72/823669872.db2.gz MXWCLHGLQKSKES-VIFPVBQESA-N 1 0 390.709 4.067 20 0 GIADRO CC[C@H]1Oc2cc([C@@H](C)[NH2+][C@@H](C)c3cnn(C(C)(C)C)c3C)ccc2NC1=O ZINC000191324266 823671866 /nfs/dbraw/zinc/67/18/66/823671866.db2.gz FGWUKAWIKXONPN-BIENJYKASA-N 1 0 384.524 4.468 20 0 GIADRO CC[C@@H]1Oc2cc([C@H](C)[NH2+][C@@H](C)c3cnn(C(C)(C)C)c3C)ccc2NC1=O ZINC000191324307 823671964 /nfs/dbraw/zinc/67/19/64/823671964.db2.gz FGWUKAWIKXONPN-NJSLBKSFSA-N 1 0 384.524 4.468 20 0 GIADRO Cc1c(C[N@@H+]2CC[C@H](c3ccc(Cl)cc3)C2)c(=O)n(-c2ccccc2)n1C ZINC000125381943 823671972 /nfs/dbraw/zinc/67/19/72/823671972.db2.gz YHMJEMLISVRNNJ-SFHVURJKSA-N 1 0 381.907 4.127 20 0 GIADRO [NH3+][C@@H]1CCCN(C(=O)c2sc3cccc(F)c3c2COc2ccccc2)C1 ZINC000191330118 823672540 /nfs/dbraw/zinc/67/25/40/823672540.db2.gz XPUQKAOJCIVVPS-CQSZACIVSA-N 1 0 384.476 4.183 20 0 GIADRO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)N[C@H]1CCSc2ccccc21 ZINC000063464354 823673210 /nfs/dbraw/zinc/67/32/10/823673210.db2.gz JUDYTSJNZXTXEP-CTNGQTDRSA-N 1 0 395.572 4.435 20 0 GIADRO CC(C)[N@H+](C)CC(=O)Nc1ccc(COc2ccc(Br)cc2)cc1 ZINC000063466159 823673596 /nfs/dbraw/zinc/67/35/96/823673596.db2.gz DEVHCWFZZKIMDY-UHFFFAOYSA-N 1 0 391.309 4.307 20 0 GIADRO CCCOc1ccc(NC(=O)N(Cc2ccncc2)C[C@H]2CCC[N@@H+]2CC)cc1 ZINC000125404137 823673677 /nfs/dbraw/zinc/67/36/77/823673677.db2.gz ABAORHJZDVXAIF-OAQYLSRUSA-N 1 0 396.535 4.389 20 0 GIADRO C[C@@H](NC(=O)c1cn(-c2ccccc2)nc1-c1cccs1)C(C)(C)C[NH+](C)C ZINC000461646710 823674838 /nfs/dbraw/zinc/67/48/38/823674838.db2.gz BISSWPHWNDOWOZ-MRXNPFEDSA-N 1 0 396.560 4.307 20 0 GIADRO CC(C)CC[C@H]1CCC[C@H]1[NH2+]CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000191347047 823674796 /nfs/dbraw/zinc/67/47/96/823674796.db2.gz RXFLPRJWECZKFB-DENIHFKCSA-N 1 0 399.579 4.058 20 0 GIADRO Cc1c2cc(F)ccc2oc1CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000125424852 823675242 /nfs/dbraw/zinc/67/52/42/823675242.db2.gz FPIKMYIBHULORI-DNVCBOLYSA-N 1 0 385.483 4.039 20 0 GIADRO CC(C)(C)C(=O)N1CCC(C[N@H+](CCc2ccccc2)Cc2cccnc2)CC1 ZINC000191351544 823675407 /nfs/dbraw/zinc/67/54/07/823675407.db2.gz QTPZNRDXYZMSBN-UHFFFAOYSA-N 1 0 393.575 4.411 20 0 GIADRO CCCCN(C)c1ccc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000063500399 823676403 /nfs/dbraw/zinc/67/64/03/823676403.db2.gz LGHYRYNYQUEAQL-UHFFFAOYSA-N 1 0 379.548 4.317 20 0 GIADRO CC(C)n1ncc2cc(C[NH2+][C@H]3CCN(C)[C@@H]3c3ccc(Cl)cc3)cnc21 ZINC000125446345 823676825 /nfs/dbraw/zinc/67/68/25/823676825.db2.gz BKSCWSVUVQUVKB-VQTJNVASSA-N 1 0 383.927 4.201 20 0 GIADRO O=C(c1cccc(C[NH+]2CCCC2)c1)N1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000412709333 823677078 /nfs/dbraw/zinc/67/70/78/823677078.db2.gz KHENRWDPRYXABU-HSZRJFAPSA-N 1 0 390.527 4.276 20 0 GIADRO COc1ccc([C@@H](O)C[NH2+][C@@H](C)c2sc(Cc3ccccc3)nc2C)cc1 ZINC000125451703 823677410 /nfs/dbraw/zinc/67/74/10/823677410.db2.gz DABRADASSOBUIX-YWZLYKJASA-N 1 0 382.529 4.435 20 0 GIADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)C1 ZINC000063530439 823677801 /nfs/dbraw/zinc/67/78/01/823677801.db2.gz KKQYIKQGZUFVBC-QGZVFWFLSA-N 1 0 394.544 4.061 20 0 GIADRO CCn1c(C2CC2)nn(CN2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c1=S ZINC000125463475 823678225 /nfs/dbraw/zinc/67/82/25/823678225.db2.gz FQZYHOTYWBFRLR-KRWDZBQOSA-N 1 0 391.629 4.245 20 0 GIADRO Cc1ccc(-c2ccc(C[NH2+]C[C@@]3(N4CCOCC4)CCSC3)s2)cc1 ZINC000063567457 823679966 /nfs/dbraw/zinc/67/99/66/823679966.db2.gz PSSQGPBLZXVBDI-NRFANRHFSA-N 1 0 388.602 4.021 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1csc(CC(C)C)n1 ZINC000063575077 823680426 /nfs/dbraw/zinc/68/04/26/823680426.db2.gz IPSBUCCWYRRODV-UHFFFAOYSA-N 1 0 375.538 4.315 20 0 GIADRO CCC(CC)n1ncc(C(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)c1C ZINC000125526248 823682855 /nfs/dbraw/zinc/68/28/55/823682855.db2.gz RMYZCUFFXMJXCZ-GOSISDBHSA-N 1 0 382.552 4.289 20 0 GIADRO CCN(CCC[NH+](C)C)C(=O)Nc1cc(C)ccc1SCC(F)(F)F ZINC000191430538 823684385 /nfs/dbraw/zinc/68/43/85/823684385.db2.gz SHVBTUIXFXXAJS-UHFFFAOYSA-N 1 0 377.476 4.455 20 0 GIADRO Cc1oc(-c2ccccc2)nc1C[N@@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000063627187 823684626 /nfs/dbraw/zinc/68/46/26/823684626.db2.gz OFKFSWCOAWQOEI-KRWDZBQOSA-N 1 0 385.508 4.387 20 0 GIADRO C[C@H](NC(=O)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1)C(C)(C)C[NH+](C)C ZINC000461710965 823685847 /nfs/dbraw/zinc/68/58/47/823685847.db2.gz JBHLXRRQHMIBBF-ULQDDVLXSA-N 1 0 385.577 4.439 20 0 GIADRO c1nc2ccccc2n1-c1ccc(C[NH2+]C2CCN(Cc3cccnc3)CC2)cc1 ZINC000125570270 823686282 /nfs/dbraw/zinc/68/62/82/823686282.db2.gz CVARNGPXWXPTGL-UHFFFAOYSA-N 1 0 397.526 4.175 20 0 GIADRO CC(C)c1c(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cnn1-c1ccc(Cl)cc1 ZINC000461713923 823686275 /nfs/dbraw/zinc/68/62/75/823686275.db2.gz VRYNHZVFHURQLW-HNNXBMFYSA-N 1 0 390.959 4.355 20 0 GIADRO CC(C)Oc1ccc([C@@H](C)NC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)cc1 ZINC000125577786 823686788 /nfs/dbraw/zinc/68/67/88/823686788.db2.gz FGHZCYSVVGTQMI-GOSISDBHSA-N 1 0 399.535 4.434 20 0 GIADRO O=C(Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000063661568 823687593 /nfs/dbraw/zinc/68/75/93/823687593.db2.gz CNRVSLDWYFVJSQ-LEWJYISDSA-N 1 0 390.487 4.018 20 0 GIADRO Cc1cc(-n2cccn2)ccc1NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000191463016 823687867 /nfs/dbraw/zinc/68/78/67/823687867.db2.gz MPIHMLQUGXNSTL-UHFFFAOYSA-N 1 0 388.515 4.422 20 0 GIADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)CCOc2ccccc2-c2ccccc2)C1 ZINC000063694114 823690003 /nfs/dbraw/zinc/69/00/03/823690003.db2.gz ZWBYDFGHZPPAAH-HXUWFJFHSA-N 1 0 380.532 4.359 20 0 GIADRO C[C@H](NC(=O)[C@H](C)[NH+]1CCC(OC2CCCCC2)CC1)c1ccc(F)cc1 ZINC000125615961 823690238 /nfs/dbraw/zinc/69/02/38/823690238.db2.gz QUIRLFUWVFSUPT-IRXDYDNUSA-N 1 0 376.516 4.205 20 0 GIADRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+]C[C@@]1(CCO)CCOC1 ZINC000125618243 823690610 /nfs/dbraw/zinc/69/06/10/823690610.db2.gz GGGIYAZFQYLEGL-BFUOFWGJSA-N 1 0 380.941 4.212 20 0 GIADRO COC[C@H](Cc1ccccc1)[N@H+](C)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000191492867 823690967 /nfs/dbraw/zinc/69/09/67/823690967.db2.gz MVWFJQWVATWTCD-QHCPKHFHSA-N 1 0 380.532 4.002 20 0 GIADRO Cc1cc(CSc2ccccc2C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)on1 ZINC000063723844 823691748 /nfs/dbraw/zinc/69/17/48/823691748.db2.gz MZQYXNKFPBKZPA-UHFFFAOYSA-N 1 0 387.549 4.222 20 0 GIADRO Cc1ccc(C(=O)c2ccccc2C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cc1 ZINC000063723630 823691761 /nfs/dbraw/zinc/69/17/61/823691761.db2.gz HSPXNJCKWVTPOC-UHFFFAOYSA-N 1 0 378.516 4.172 20 0 GIADRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(NC(=O)[C@H]3CCCO3)c1)CCS2 ZINC000191501320 823692086 /nfs/dbraw/zinc/69/20/86/823692086.db2.gz GTAHNEYKMZONEM-VQTJNVASSA-N 1 0 398.528 4.139 20 0 GIADRO CC(C)(C)[N@@H+]1CCCN(C(=O)Cc2csc(-c3ccc(Cl)s3)n2)CC1 ZINC000063727588 823692095 /nfs/dbraw/zinc/69/20/95/823692095.db2.gz YOCSQADNTWXERA-UHFFFAOYSA-N 1 0 397.997 4.400 20 0 GIADRO CCCOc1c(Cl)cc(C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cc1OC ZINC000063727020 823692130 /nfs/dbraw/zinc/69/21/30/823692130.db2.gz LVXKLCDJQMPASK-UHFFFAOYSA-N 1 0 382.932 4.084 20 0 GIADRO CC(C)Oc1cc(Br)ccc1C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000063727569 823692174 /nfs/dbraw/zinc/69/21/74/823692174.db2.gz YXTQCFOYIBELNW-UHFFFAOYSA-N 1 0 397.357 4.183 20 0 GIADRO COc1cc(CCC(=O)NC2CC[NH+](C3CCCCC3)CC2)ccc1Cl ZINC000125644952 823692947 /nfs/dbraw/zinc/69/29/47/823692947.db2.gz YKHJTLNCGYQEDU-UHFFFAOYSA-N 1 0 378.944 4.195 20 0 GIADRO COc1ccccc1-c1csc(C2CCN(CC[NH+]3CCCCC3)CC2)n1 ZINC000191508675 823693412 /nfs/dbraw/zinc/69/34/12/823693412.db2.gz NHGJKFHWEHTWFV-UHFFFAOYSA-N 1 0 385.577 4.484 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3cccc(F)c3)C2)cc1NC(C)=O ZINC000125652752 823693706 /nfs/dbraw/zinc/69/37/06/823693706.db2.gz ZREIYMBERFVAFF-BEFAXECRSA-N 1 0 385.483 4.112 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1cc(-c2ccccc2Cl)on1 ZINC000063758025 823693784 /nfs/dbraw/zinc/69/37/84/823693784.db2.gz WUJBFEAELMEIFZ-HNNXBMFYSA-N 1 0 375.900 4.379 20 0 GIADRO CCC[C@H](CCO)C[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000191520462 823694791 /nfs/dbraw/zinc/69/47/91/823694791.db2.gz XKZNPJXFWSACIS-DNVCBOLYSA-N 1 0 384.358 4.305 20 0 GIADRO COCCOc1ccc(C[NH2+]CC(C)(C)c2cccc(Cl)c2)cc1OC ZINC000063776475 823695079 /nfs/dbraw/zinc/69/50/79/823695079.db2.gz OGVUHIUFATYRAE-UHFFFAOYSA-N 1 0 377.912 4.441 20 0 GIADRO C[C@@H]1C[C@H]([NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)CN1C1CC1 ZINC000191523299 823695211 /nfs/dbraw/zinc/69/52/11/823695211.db2.gz KYIQTKMAPRPCER-HEFCMCLBSA-N 1 0 393.369 4.132 20 0 GIADRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C)cc1O[C@@H]1CCOC1)CCS2 ZINC000191525265 823695332 /nfs/dbraw/zinc/69/53/32/823695332.db2.gz HZCUYMOHUSBZMP-QUCCMNQESA-N 1 0 385.529 4.498 20 0 GIADRO Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N(C)CC[N@H+](C)C1CCCCC1 ZINC000063778471 823695380 /nfs/dbraw/zinc/69/53/80/823695380.db2.gz FNWQPYAGAVNTON-UHFFFAOYSA-N 1 0 388.943 4.171 20 0 GIADRO CCc1nc(C)c([C@H](C)[NH2+]Cc2ccc(C)nc2-n2cc(Cl)cn2)s1 ZINC000191527748 823695778 /nfs/dbraw/zinc/69/57/78/823695778.db2.gz UTQIGJXCGLXZGZ-LBPRGKRZSA-N 1 0 375.929 4.407 20 0 GIADRO CC[C@@H]([NH2+]Cc1ccc(C)nc1-n1cc(Cl)cn1)c1ccc2c(c1)OCCO2 ZINC000191529172 823695883 /nfs/dbraw/zinc/69/58/83/823695883.db2.gz QOMAYFUBYYDSAF-GOSISDBHSA-N 1 0 398.894 4.241 20 0 GIADRO CCCn1c(S[C@H]2CC[N@H+](Cc3ccccc3)C2)nnc1-c1ccncc1 ZINC000412978827 823696381 /nfs/dbraw/zinc/69/63/81/823696381.db2.gz BSWSVOSKMKIYII-IBGZPJMESA-N 1 0 379.533 4.117 20 0 GIADRO FC(F)(F)c1ccc(N2CCC([NH2+][C@@H]3Cc4ccc(Cl)cc4C3)CC2)nc1 ZINC000461797613 823696803 /nfs/dbraw/zinc/69/68/03/823696803.db2.gz LGWMMLBNDXLIGK-GOSISDBHSA-N 1 0 395.856 4.480 20 0 GIADRO CC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccc(C)nc2-n2cc(Cl)cn2)cc1 ZINC000191534770 823696964 /nfs/dbraw/zinc/69/69/64/823696964.db2.gz XWJYPBQWARLNLQ-CQSZACIVSA-N 1 0 383.883 4.038 20 0 GIADRO OCC[C@@]1(C[NH2+][C@H](CCSc2ccccc2)c2ccc(F)cc2)CCOC1 ZINC000125689174 823696973 /nfs/dbraw/zinc/69/69/73/823696973.db2.gz DICUSLRIKVHKRE-YADHBBJMSA-N 1 0 389.536 4.428 20 0 GIADRO CCOc1cccc(CNC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)c1 ZINC000063799402 823697950 /nfs/dbraw/zinc/69/79/50/823697950.db2.gz OKKDMYDUDROMHN-UHFFFAOYSA-N 1 0 395.547 4.461 20 0 GIADRO COc1ccccc1CN(C)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000063799597 823697957 /nfs/dbraw/zinc/69/79/57/823697957.db2.gz KTZYDAIBZLBOCG-UHFFFAOYSA-N 1 0 395.547 4.413 20 0 GIADRO COc1ccccc1CCNC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000063799574 823697959 /nfs/dbraw/zinc/69/79/59/823697959.db2.gz FVBXPYJLNQLVHM-UHFFFAOYSA-N 1 0 395.547 4.113 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1[nH]c2ccccc2c1Br)C1CCCCC1 ZINC000063804026 823698363 /nfs/dbraw/zinc/69/83/63/823698363.db2.gz GCJODMQSXBTAGP-MRXNPFEDSA-N 1 0 392.341 4.171 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NCc3c(O)ccc(Cl)c3F)cc2)CC1 ZINC000191555103 823699140 /nfs/dbraw/zinc/69/91/40/823699140.db2.gz GEERYRWXRXVTQA-UHFFFAOYSA-N 1 0 377.891 4.327 20 0 GIADRO CSc1ccccc1NC(=O)CC[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000125715422 823699592 /nfs/dbraw/zinc/69/95/92/823699592.db2.gz VJFFGRNKKBKVBD-UHFFFAOYSA-N 1 0 398.572 4.461 20 0 GIADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2ccccc2C(=O)c2cccs2)C1 ZINC000063823078 823699777 /nfs/dbraw/zinc/69/97/77/823699777.db2.gz LFIFPBGSBJHCRD-QGZVFWFLSA-N 1 0 384.545 4.221 20 0 GIADRO CC(C)c1cc(C(=O)N(CC[NH+](C)C)c2ccccc2)c2cnn(C(C)C)c2n1 ZINC000063829397 823700026 /nfs/dbraw/zinc/70/00/26/823700026.db2.gz DJDYIFHAWWSXOQ-UHFFFAOYSA-N 1 0 393.535 4.344 20 0 GIADRO COCC[C@@H](Cc1cccc(F)c1)[NH2+][C@@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000191564389 823700384 /nfs/dbraw/zinc/70/03/84/823700384.db2.gz DQLLIZCOHDECHK-KXBFYZLASA-N 1 0 399.466 4.183 20 0 GIADRO CCOC(=O)c1csc(CC[NH2+][C@@H](C)c2nc(-c3ccccc3)cs2)n1 ZINC000191565493 823700612 /nfs/dbraw/zinc/70/06/12/823700612.db2.gz SZNVWPPDSFCOIQ-ZDUSSCGKSA-N 1 0 387.530 4.337 20 0 GIADRO CCCCOc1c(Cl)cc(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)cc1OCC ZINC000063836288 823700660 /nfs/dbraw/zinc/70/06/60/823700660.db2.gz DGMRBDYGZUTZCT-MRXNPFEDSA-N 1 0 396.959 4.378 20 0 GIADRO CCc1ccc(C(=O)Nc2sccc2C(=O)NCC2([NH+](C)C)CCCC2)cc1 ZINC000063836070 823700672 /nfs/dbraw/zinc/70/06/72/823700672.db2.gz FGFJVXLWIHSKCU-UHFFFAOYSA-N 1 0 399.560 4.167 20 0 GIADRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)CC1 ZINC000163310427 823700741 /nfs/dbraw/zinc/70/07/41/823700741.db2.gz BYUGTIUKEDHJGV-RTWAWAEBSA-N 1 0 398.497 4.439 20 0 GIADRO CCc1noc(C2CCC([NH2+][C@H](C)c3nc(-c4cccc(OC)c4)no3)CC2)n1 ZINC000191566652 823701076 /nfs/dbraw/zinc/70/10/76/823701076.db2.gz FIXACFCHVHKAJG-VQCLRJIVSA-N 1 0 397.479 4.068 20 0 GIADRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1nc2ccccc2cc1Br ZINC000574320251 823702238 /nfs/dbraw/zinc/70/22/38/823702238.db2.gz LVUZFQODKHAHMV-AWEZNQCLSA-N 1 0 392.341 4.238 20 0 GIADRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(CSc3nc(C)cs3)cc2)C1 ZINC000063852675 823702391 /nfs/dbraw/zinc/70/23/91/823702391.db2.gz QUIAUSCYEYDOMO-KRWDZBQOSA-N 1 0 389.590 4.206 20 0 GIADRO C[NH+](C)CCN(C(=O)c1cccc(NC(=O)OC(C)(C)C)c1)c1ccccc1 ZINC000063853380 823702676 /nfs/dbraw/zinc/70/26/76/823702676.db2.gz HDHNQHKUMHGING-UHFFFAOYSA-N 1 0 383.492 4.242 20 0 GIADRO C[C@@](Cc1ccccc1)(NC(=O)NC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000413066611 823703084 /nfs/dbraw/zinc/70/30/84/823703084.db2.gz FWDDFKRAMKRLKI-DEOSSOPVSA-N 1 0 377.532 4.071 20 0 GIADRO COC(=O)[C@@](C)(C[NH2+][C@H](C)CC(=O)Nc1ccccc1C(C)C)c1ccccc1 ZINC000191581615 823703900 /nfs/dbraw/zinc/70/39/00/823703900.db2.gz NENWVNKQXYBZFK-KOSHJBKYSA-N 1 0 396.531 4.248 20 0 GIADRO COC(=O)[C@@](C)(C[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(C)C)c1ccccc1 ZINC000191581628 823703971 /nfs/dbraw/zinc/70/39/71/823703971.db2.gz NENWVNKQXYBZFK-UUOWRZLLSA-N 1 0 396.531 4.248 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@H]2CCN(c3cccc(Cl)c3)C2)cc(OC)c1OC ZINC000163368059 823704619 /nfs/dbraw/zinc/70/46/19/823704619.db2.gz BTWQAGWGKUUKLB-YOEHRIQHSA-N 1 0 390.911 4.295 20 0 GIADRO Cc1cccc([C@H](NC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)C(F)(F)F)c1 ZINC000163373806 823704760 /nfs/dbraw/zinc/70/47/60/823704760.db2.gz UXYDEOCEYBPNEU-AEFFLSMTSA-N 1 0 383.458 4.116 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1cn(C)nc1C1CCC1)c1ccccc1Cl ZINC000413089381 823705270 /nfs/dbraw/zinc/70/52/70/823705270.db2.gz BHNUHCHAIMOTPD-LJQANCHMSA-N 1 0 388.943 4.154 20 0 GIADRO CC[C@H](C(=O)N(Cc1ccccc1)[C@@H](C)c1cccc(NC(C)=O)c1)[NH+](C)C ZINC000413093922 823705812 /nfs/dbraw/zinc/70/58/12/823705812.db2.gz APGBVBANNOCVQH-HTAPYJJXSA-N 1 0 381.520 4.075 20 0 GIADRO CC(C)COc1ccc([C@H](C)[NH2+]Cc2ccc(CS(C)(=O)=O)cc2)cc1 ZINC000125766577 823706243 /nfs/dbraw/zinc/70/62/43/823706243.db2.gz SDKSUXIRTJFTGK-KRWDZBQOSA-N 1 0 375.534 4.117 20 0 GIADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CC3(CCOCC3)[C@H]2c2ccccc2)C1 ZINC000413098840 823706735 /nfs/dbraw/zinc/70/67/35/823706735.db2.gz ATSQRKPYENXBBT-IFMALSPDSA-N 1 0 399.579 4.062 20 0 GIADRO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@H](C)c1nc(Cc2ccccc2)no1 ZINC000191596276 823707010 /nfs/dbraw/zinc/70/70/10/823707010.db2.gz REHWIWRORRIAOB-HZPDHXFCSA-N 1 0 379.460 4.061 20 0 GIADRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@H](NC(=O)c1cccs1)C(C)C ZINC000163408480 823707150 /nfs/dbraw/zinc/70/71/50/823707150.db2.gz QVWZQGDXPVHTFJ-HXUWFJFHSA-N 1 0 399.560 4.045 20 0 GIADRO CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)N2CCC([NH+]3CCCC3)CC2)c1 ZINC000163407511 823707158 /nfs/dbraw/zinc/70/71/58/823707158.db2.gz SWKAAABAVLEMNF-UHFFFAOYSA-N 1 0 391.943 4.025 20 0 GIADRO CC[C@H](NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)c1nc(C)cs1 ZINC000125772629 823707336 /nfs/dbraw/zinc/70/73/36/823707336.db2.gz IZQFODWWTQBAJU-SFHVURJKSA-N 1 0 378.586 4.200 20 0 GIADRO COCCOCCC[NH2+][C@@H](C)c1cnn(-c2ccc(Cl)cc2Cl)c1C ZINC000163417531 823707809 /nfs/dbraw/zinc/70/78/09/823707809.db2.gz YFPIZRNEPQJWIM-ZDUSSCGKSA-N 1 0 386.323 4.191 20 0 GIADRO Cc1nc(-c2cccc(NC(=O)NC(C)(C)C[N@H+](C)Cc3ccccc3)c2)no1 ZINC000163420599 823707830 /nfs/dbraw/zinc/70/78/30/823707830.db2.gz SRIGCEPOIOEINZ-UHFFFAOYSA-N 1 0 393.491 4.077 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nc(CCCOc2ccc(F)cc2)no1 ZINC000574364690 823709271 /nfs/dbraw/zinc/70/92/71/823709271.db2.gz JHVJFXSUZJUMFI-DYESRHJHSA-N 1 0 395.478 4.456 20 0 GIADRO c1nc(N2CCOCC2)sc1C[N@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000125792498 823711482 /nfs/dbraw/zinc/71/14/82/823711482.db2.gz NQEDLQRZIZTSDZ-QFIPXVFZSA-N 1 0 391.540 4.127 20 0 GIADRO C[C@](Cc1ccccc1)(NC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000413127394 823711777 /nfs/dbraw/zinc/71/17/77/823711777.db2.gz VRRBPJCWUPXQNZ-WMTXJRDZSA-N 1 0 377.532 4.071 20 0 GIADRO CC[C@H](C)n1ncc(C(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)c1C1CC1 ZINC000125797068 823712961 /nfs/dbraw/zinc/71/29/61/823712961.db2.gz TWIPLGLFMBMQBI-KXBFYZLASA-N 1 0 384.524 4.200 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)COCc1ccccc1Cl)c1ccc(OC(F)F)cc1 ZINC000125799579 823713273 /nfs/dbraw/zinc/71/32/73/823713273.db2.gz NVHOPAXMZJBHDF-BBRMVZONSA-N 1 0 385.838 4.170 20 0 GIADRO CC[NH+]1CCC(CNC(=O)Nc2cccc(COc3ccccc3)c2C)CC1 ZINC000574377853 823713828 /nfs/dbraw/zinc/71/38/28/823713828.db2.gz HQONQONTZCEHQO-UHFFFAOYSA-N 1 0 381.520 4.427 20 0 GIADRO CCc1c(NC(=O)N2CC[C@H]([NH+](CC)CC)C2)cnn1-c1cccc(Cl)c1 ZINC000191616721 823713916 /nfs/dbraw/zinc/71/39/16/823713916.db2.gz NTBUZANBVMXXCA-KRWDZBQOSA-N 1 0 389.931 4.036 20 0 GIADRO Cc1cc(Sc2nnc(C3CC[NH2+]CC3)n2C2CC2)nc(-c2cccs2)n1 ZINC000413150149 823716076 /nfs/dbraw/zinc/71/60/76/823716076.db2.gz UAEFCZKJRAFMHT-UHFFFAOYSA-N 1 0 398.561 4.058 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(N2CCCC2)nc1)c1ccc(Br)cc1F ZINC000125808040 823716388 /nfs/dbraw/zinc/71/63/88/823716388.db2.gz LPHBOTOANCRIFU-ZDUSSCGKSA-N 1 0 378.289 4.434 20 0 GIADRO Cc1nc(CCC(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)oc1-c1ccccc1 ZINC000163510928 823716964 /nfs/dbraw/zinc/71/69/64/823716964.db2.gz UBPNFVAABUVXQY-LJQANCHMSA-N 1 0 383.536 4.067 20 0 GIADRO CO[C@H]1C[C@H]2C[C@@H]([NH2+]Cc3cccc(NC(=O)c4ccc(F)cc4)c3)C[C@H]2C1 ZINC000574391722 823717845 /nfs/dbraw/zinc/71/78/45/823717845.db2.gz IIGIFLFWZMTKCL-VVIORFSUSA-N 1 0 382.479 4.371 20 0 GIADRO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cc(F)cc2cccnc21 ZINC000163521444 823718024 /nfs/dbraw/zinc/71/80/24/823718024.db2.gz ADVWJHHFUNWGOH-SEJPIABJSA-N 1 0 389.474 4.299 20 0 GIADRO C[C@H]([NH2+]CCN1CCc2ccccc2C1=O)c1nc(-c2ccccc2)cs1 ZINC000191628103 823718041 /nfs/dbraw/zinc/71/80/41/823718041.db2.gz IYKSHXHTGNUWBB-INIZCTEOSA-N 1 0 377.513 4.159 20 0 GIADRO C[C@@H]1C[C@@H](CNC(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)[C@@H](C)O1 ZINC000413157965 823718214 /nfs/dbraw/zinc/71/82/14/823718214.db2.gz USYYDGOILFAMIR-OPYAIIAOSA-N 1 0 387.568 4.064 20 0 GIADRO O=C(c1ccc(Oc2ccccc2Cl)nc1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000574396410 823719008 /nfs/dbraw/zinc/71/90/08/823719008.db2.gz ZMZZLMYBUKGZGY-GOSISDBHSA-N 1 0 385.895 4.132 20 0 GIADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000125821322 823719947 /nfs/dbraw/zinc/71/99/47/823719947.db2.gz ODZNOLCYDLAXMF-KRWDZBQOSA-N 1 0 395.507 4.327 20 0 GIADRO C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000125821511 823719996 /nfs/dbraw/zinc/71/99/96/823719996.db2.gz ODZNOLCYDLAXMF-QGZVFWFLSA-N 1 0 395.507 4.327 20 0 GIADRO COc1cc(Br)ccc1[C@@H](C)[NH2+]C1CCN(C(=O)C(C)(C)C)CC1 ZINC000191633321 823720132 /nfs/dbraw/zinc/72/01/32/823720132.db2.gz XVCNXCKVDBXNAB-CYBMUJFWSA-N 1 0 397.357 4.145 20 0 GIADRO CC1CC[NH+](Cc2cccc(CNC(=O)c3cnc([C@@H]4CCCO4)s3)c2)CC1 ZINC000125827422 823722066 /nfs/dbraw/zinc/72/20/66/823722066.db2.gz LXNRJUMJTUDOBI-IBGZPJMESA-N 1 0 399.560 4.157 20 0 GIADRO CC[NH+](CC)CCOc1ccc(NC(=O)c2cnccc2C(F)(F)F)cc1 ZINC000574410184 823722583 /nfs/dbraw/zinc/72/25/83/823722583.db2.gz AWBCHTVONKRISZ-UHFFFAOYSA-N 1 0 381.398 4.073 20 0 GIADRO CC(C)C[C@@]1(CO)CCC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000191661114 823726109 /nfs/dbraw/zinc/72/61/09/823726109.db2.gz ZIIPTBDAGKCBRE-QGZVFWFLSA-N 1 0 392.849 4.170 20 0 GIADRO C[C@@H]([NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc([S@](C)=O)cc1 ZINC000163590446 823726293 /nfs/dbraw/zinc/72/62/93/823726293.db2.gz XOKUVLRTJUOHKV-AKJBCIBTSA-N 1 0 390.980 4.393 20 0 GIADRO Cc1nc(COc2ccc(C[N@@H+]3CC[C@@H](C(F)(F)F)C(C)(C)C3)cc2)no1 ZINC000191663343 823726618 /nfs/dbraw/zinc/72/66/18/823726618.db2.gz QNIBANFIHLSLLJ-MRXNPFEDSA-N 1 0 383.414 4.367 20 0 GIADRO C[C@H](c1ccccc1)[N@H+](CC(=O)Nc1ccc(C(=O)N(C)C)cc1)C1CCCC1 ZINC000574434837 823728284 /nfs/dbraw/zinc/72/82/84/823728284.db2.gz DPBHYTCDCKHHER-GOSISDBHSA-N 1 0 393.531 4.333 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccccc1N1CCCCC1 ZINC000574435195 823728581 /nfs/dbraw/zinc/72/85/81/823728581.db2.gz OHIRBGOOHZTXQA-OFNKIYASSA-N 1 0 391.559 4.317 20 0 GIADRO CCOC(=O)c1cnn(C2CC[NH+](Cc3cc4c(ccc(C)c4C)[nH]3)CC2)c1C ZINC000574437891 823729336 /nfs/dbraw/zinc/72/93/36/823729336.db2.gz BGZIJZCWAZWVCA-UHFFFAOYSA-N 1 0 394.519 4.303 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccccc1CC(F)(F)F ZINC000163633683 823729638 /nfs/dbraw/zinc/72/96/38/823729638.db2.gz PTLKDKLZSUYBOY-BEFAXECRSA-N 1 0 391.437 4.433 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)[C@H](C)Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000413214429 823729886 /nfs/dbraw/zinc/72/98/86/823729886.db2.gz LUPYAIHEEWIXTD-OAHLLOKOSA-N 1 0 386.458 4.097 20 0 GIADRO COC1CCN(CC[NH2+][C@H](C)c2ccc3ccccc3c2OC(F)F)CC1 ZINC000163637109 823730326 /nfs/dbraw/zinc/73/03/26/823730326.db2.gz CYKIVZPXKCIUNN-OAHLLOKOSA-N 1 0 378.463 4.203 20 0 GIADRO C[C@@H](C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCO1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000413218769 823730850 /nfs/dbraw/zinc/73/08/50/823730850.db2.gz BKWIXKVNNVKVBI-QSJFSLAZSA-N 1 0 380.916 4.098 20 0 GIADRO C[C@H](SCC1CC[NH2+]CC1)c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3 ZINC000574450353 823733824 /nfs/dbraw/zinc/73/38/24/823733824.db2.gz NXAALIDNMRKEOM-RYUDHWBXSA-N 1 0 377.579 4.316 20 0 GIADRO CC(C)c1c(NC(=O)N2CC[C@H](C[NH+](C)C)C2)cnn1-c1ccccc1Cl ZINC000191686442 823734064 /nfs/dbraw/zinc/73/40/64/823734064.db2.gz PZNQUIGSEMOYQT-OAHLLOKOSA-N 1 0 389.931 4.065 20 0 GIADRO O=C(Nc1ccc(C(=O)NC2CCCC2)cc1)c1cccc(C[NH+]2CCCC2)c1 ZINC000064026615 823736168 /nfs/dbraw/zinc/73/61/68/823736168.db2.gz GCNHKJXMRYTGAH-UHFFFAOYSA-N 1 0 391.515 4.207 20 0 GIADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2ncoc2-c2ccccc2Cl)C1 ZINC000163695187 823738123 /nfs/dbraw/zinc/73/81/23/823738123.db2.gz LVDNZOLUTVSCNJ-OAHLLOKOSA-N 1 0 375.900 4.093 20 0 GIADRO C[C@H](CNC(=O)c1ccc(N2CCc3ccccc3C2)cc1)C[NH+]1CCCCC1 ZINC000064036270 823738478 /nfs/dbraw/zinc/73/84/78/823738478.db2.gz DOPUUWLNSCDXSL-HXUWFJFHSA-N 1 0 391.559 4.101 20 0 GIADRO COc1ccc(C[NH2+]CCOc2ccccc2C)cc1OCc1cccnc1 ZINC000125892075 823738857 /nfs/dbraw/zinc/73/88/57/823738857.db2.gz ULSYSTIMEPRWNS-UHFFFAOYSA-N 1 0 378.472 4.146 20 0 GIADRO CCN(Cc1occc1C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000413264571 823741214 /nfs/dbraw/zinc/74/12/14/823741214.db2.gz MSWULPGJOFUYDC-SEJPIABJSA-N 1 0 381.520 4.315 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Cc1nc(C(C)C)c(C)s1)Cc1ccccc1 ZINC000574479403 823741689 /nfs/dbraw/zinc/74/16/89/823741689.db2.gz FEZNZHUWPFYMCT-LJQANCHMSA-N 1 0 387.593 4.187 20 0 GIADRO O=C([C@@H]1C[C@H]1c1cc(F)ccc1F)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000163731887 823742875 /nfs/dbraw/zinc/74/28/75/823742875.db2.gz SRPCXBKJFDBFTK-IMFGXOCKSA-N 1 0 376.491 4.183 20 0 GIADRO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CCSC2(CCC2)CC1 ZINC000413274688 823743147 /nfs/dbraw/zinc/74/31/47/823743147.db2.gz ZUNYYRZTMJHSIZ-SEJPIABJSA-N 1 0 399.604 4.253 20 0 GIADRO COCCOCc1ccc(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000461898740 823744449 /nfs/dbraw/zinc/74/44/49/823744449.db2.gz NPSRJTOJCXXSIF-UHFFFAOYSA-N 1 0 382.504 4.088 20 0 GIADRO COC1CCN(CC[NH2+][C@@H](C)c2ccc(OCc3ccc(F)cc3)cc2)CC1 ZINC000163745236 823744506 /nfs/dbraw/zinc/74/45/06/823744506.db2.gz BOSNCZUSQUQKQK-SFHVURJKSA-N 1 0 386.511 4.166 20 0 GIADRO CCn1c(C[NH2+]CCCc2cnccc2C)nc2cc(Br)ccc21 ZINC000574486580 823744589 /nfs/dbraw/zinc/74/45/89/823744589.db2.gz KAUUHHORFMGGIN-UHFFFAOYSA-N 1 0 387.325 4.245 20 0 GIADRO C[C@@H](O)[C@@](C)(C[NH2+]Cc1csc(COc2ccccc2)n1)Cc1ccccc1 ZINC000191717098 823745263 /nfs/dbraw/zinc/74/52/63/823745263.db2.gz OXESLKLHVZNLKT-WZONZLPQSA-N 1 0 396.556 4.442 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)c1cccc(-c2ccncc2)c1 ZINC000163761147 823745954 /nfs/dbraw/zinc/74/59/54/823745954.db2.gz OPOKWDAPUCLQRY-FQEVSTJZSA-N 1 0 387.527 4.432 20 0 GIADRO COc1cc(C[NH2+]C[C@@](C)(Cc2ccccc2)[C@H](C)O)ccc1OC(F)F ZINC000191720176 823746668 /nfs/dbraw/zinc/74/66/68/823746668.db2.gz PBHGKWVTMXJEEN-YCRPNKLZSA-N 1 0 379.447 4.016 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)NC[C@H](Cc1ccccc1)C(F)(F)F)c1cccs1 ZINC000574492858 823747098 /nfs/dbraw/zinc/74/70/98/823747098.db2.gz IAGFXCSXPGIELN-HOTGVXAUSA-N 1 0 399.482 4.071 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccncc1 ZINC000163778398 823748125 /nfs/dbraw/zinc/74/81/25/823748125.db2.gz ZGDPNUDDEXPEOX-GUYCJALGSA-N 1 0 381.398 4.438 20 0 GIADRO O=c1[nH]c(CC[N@H+]2CCC[C@@H]2c2ccccc2Br)nc2ccccc21 ZINC000125935247 823748066 /nfs/dbraw/zinc/74/80/66/823748066.db2.gz DLEUMESCDJYVEM-GOSISDBHSA-N 1 0 398.304 4.065 20 0 GIADRO O=c1[nH]c(CC[N@H+]2CCC[C@H]2c2ccccc2Br)nc2ccccc21 ZINC000125935528 823748489 /nfs/dbraw/zinc/74/84/89/823748489.db2.gz DLEUMESCDJYVEM-SFHVURJKSA-N 1 0 398.304 4.065 20 0 GIADRO COc1ccc([C@H]([NH2+][C@@H](C)c2ccc(-n3cnnn3)cc2)c2ccc(C)cc2)cc1 ZINC000163789476 823748681 /nfs/dbraw/zinc/74/86/81/823748681.db2.gz UQZDUXWHFLCALT-MHECFPHRSA-N 1 0 399.498 4.420 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000163793943 823749475 /nfs/dbraw/zinc/74/94/75/823749475.db2.gz BFZTWIVFDJWRGJ-DHIUTWEWSA-N 1 0 395.547 4.248 20 0 GIADRO O=C(Nc1cccc(Cl)c1Br)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000191730553 823749996 /nfs/dbraw/zinc/74/99/96/823749996.db2.gz OVYCJAIUFCXSGL-GFCCVEGCSA-N 1 0 386.721 4.052 20 0 GIADRO [NH3+][C@H]1CCc2ncc(NC(=O)N[C@H](Cc3ccccc3)c3ccccc3)cc2C1 ZINC000574503057 823750457 /nfs/dbraw/zinc/75/04/57/823750457.db2.gz UFTJEBRUYFQHGD-NZQKXSOJSA-N 1 0 386.499 4.003 20 0 GIADRO Cn1c2ccccc2nc1[C@@H]([NH2+]CCCOCC(F)(F)F)c1ccccc1 ZINC000125946757 823750661 /nfs/dbraw/zinc/75/06/61/823750661.db2.gz CUESEAAJMAYGNY-SFHVURJKSA-N 1 0 377.410 4.221 20 0 GIADRO C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)CN1CC[NH+](CC2CCCCC2)CC1 ZINC000064129699 823752342 /nfs/dbraw/zinc/75/23/42/823752342.db2.gz BNCZYFQJHBRFBO-NRFANRHFSA-N 1 0 397.607 4.012 20 0 GIADRO CC(=O)c1ccc2c(c1)CN(C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)C2 ZINC000413324345 823752865 /nfs/dbraw/zinc/75/28/65/823752865.db2.gz IZYZVQMDRZTJEB-UTKZUKDTSA-N 1 0 397.544 4.059 20 0 GIADRO CC[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)CC(F)(F)F ZINC000413325006 823752889 /nfs/dbraw/zinc/75/28/89/823752889.db2.gz JVOFIXHZOUOXNA-OFQRWUPVSA-N 1 0 391.503 4.409 20 0 GIADRO CC[C@H](CNC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)CC(F)(F)F ZINC000413325007 823752959 /nfs/dbraw/zinc/75/29/59/823752959.db2.gz JVOFIXHZOUOXNA-SQWLQELKSA-N 1 0 391.503 4.409 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1cc(Cl)ccc1Cl ZINC000163849977 823754013 /nfs/dbraw/zinc/75/40/13/823754013.db2.gz RSHVEGPVLAXFED-ZDUSSCGKSA-N 1 0 381.303 4.311 20 0 GIADRO [NH3+][C@H]1CCCC[C@H]1CC(=O)Nc1nc(-c2ccccc2OC(F)F)cs1 ZINC000574516996 823754297 /nfs/dbraw/zinc/75/42/97/823754297.db2.gz MKJGNGPNXFFZHK-AAEUAGOBSA-N 1 0 381.448 4.258 20 0 GIADRO COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000191744812 823754517 /nfs/dbraw/zinc/75/45/17/823754517.db2.gz ZBYOQRXCTRZCAV-RDJZCZTQSA-N 1 0 397.947 4.092 20 0 GIADRO CN(C)C(=O)COc1cccc(C[NH2+][C@H]2CCc3c2ccc(Cl)c3Cl)c1 ZINC000163854117 823754512 /nfs/dbraw/zinc/75/45/12/823754512.db2.gz CNXHMCGZXGQSOC-SFHVURJKSA-N 1 0 393.314 4.238 20 0 GIADRO CN(C)C(=O)COc1cccc(C[NH2+][C@@H]2CCc3c2ccc(Cl)c3Cl)c1 ZINC000163853980 823754764 /nfs/dbraw/zinc/75/47/64/823754764.db2.gz CNXHMCGZXGQSOC-GOSISDBHSA-N 1 0 393.314 4.238 20 0 GIADRO Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC000163881706 823756658 /nfs/dbraw/zinc/75/66/58/823756658.db2.gz YBZUUUSDXOKWKW-QXAKKESOSA-N 1 0 389.540 4.138 20 0 GIADRO O=C(NC[C@H](Cc1ccccc1)C(F)(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000574530854 823756908 /nfs/dbraw/zinc/75/69/08/823756908.db2.gz JFDMQYKHJKOECT-PMACEKPBSA-N 1 0 390.449 4.046 20 0 GIADRO C[C@@H](Oc1ccccc1NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)C(F)(F)F ZINC000574551617 823762451 /nfs/dbraw/zinc/76/24/51/823762451.db2.gz HXKILLGAKWCIER-CABCVRRESA-N 1 0 387.446 4.354 20 0 GIADRO CCCN(CC[NH+](CC)CC)C(=O)N[C@H](c1cccc(C)c1)c1ccccn1 ZINC000461932412 823762957 /nfs/dbraw/zinc/76/29/57/823762957.db2.gz CALJOZWETRJXCW-JOCHJYFZSA-N 1 0 382.552 4.243 20 0 GIADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)NCc2ccc(Cl)cc2Cl)cc1 ZINC000574553586 823763421 /nfs/dbraw/zinc/76/34/21/823763421.db2.gz JZCNXSZTWJUGOK-SFHVURJKSA-N 1 0 396.318 4.104 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)N[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000163948367 823764329 /nfs/dbraw/zinc/76/43/29/823764329.db2.gz PRPSJJFBZAJOKX-DHIUTWEWSA-N 1 0 393.531 4.002 20 0 GIADRO CC1CC[NH+](CCc2cccc(NC(=O)C3(c4ccccc4)CC(=O)C3)c2)CC1 ZINC000574563835 823767378 /nfs/dbraw/zinc/76/73/78/823767378.db2.gz RBFMBTNSJHACMG-UHFFFAOYSA-N 1 0 390.527 4.200 20 0 GIADRO CC(C)(C)n1cc(C(=O)Nc2ccc3c(c2)C[NH2+]C3)c(-c2ccc(F)cc2F)n1 ZINC000574564596 823768307 /nfs/dbraw/zinc/76/83/07/823768307.db2.gz HHCWKMQYLWBTBU-UHFFFAOYSA-N 1 0 396.441 4.439 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]Cc2c(C)nn(Cc3ccccc3)c2C)c(OC)c1 ZINC000163982275 823768343 /nfs/dbraw/zinc/76/83/43/823768343.db2.gz QLQYLBBDEZJWSG-MRXNPFEDSA-N 1 0 379.504 4.416 20 0 GIADRO CC[C@H](CNC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)CC(F)(F)F ZINC000413400987 823769178 /nfs/dbraw/zinc/76/91/78/823769178.db2.gz NFOUCZSULJCCTQ-GTPINHCMSA-N 1 0 377.495 4.307 20 0 GIADRO CC(C)([NH3+])c1noc(CN[C@H](c2ccccc2)[C@@H]2CCCc3ccccc32)n1 ZINC000574573204 823770129 /nfs/dbraw/zinc/77/01/29/823770129.db2.gz YJPHFSPGXOLNIW-TZIWHRDSSA-N 1 0 376.504 4.214 20 0 GIADRO Cc1cc(C[NH2+][C@H]2CCC[C@H](N3CCCC3=O)C2)ccc1Oc1cccnc1 ZINC000574585521 823772069 /nfs/dbraw/zinc/77/20/69/823772069.db2.gz XTKQWSUTZXEOQZ-PMACEKPBSA-N 1 0 379.504 4.206 20 0 GIADRO CC[C@@H](C(=O)N1CCCc2c(NC(=O)Nc3ccccc3F)cccc21)[NH+](C)C ZINC000413416228 823772503 /nfs/dbraw/zinc/77/25/03/823772503.db2.gz BPNSRBHFKARIOA-IBGZPJMESA-N 1 0 398.482 4.089 20 0 GIADRO C[NH+](C)CCC1CCN(C(=O)c2cc3ccccc3cc2OC(F)F)CC1 ZINC000574589724 823773278 /nfs/dbraw/zinc/77/32/78/823773278.db2.gz DEOXQNHYJFBOAL-UHFFFAOYSA-N 1 0 376.447 4.245 20 0 GIADRO Cc1ccccc1[C@@H]1CN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000164056520 823774253 /nfs/dbraw/zinc/77/42/53/823774253.db2.gz KYCOJNHXBZCOKY-QHCPKHFHSA-N 1 0 392.543 4.197 20 0 GIADRO C[N@H+](CCC(=O)Nc1cccc(C(F)(F)F)c1)Cc1cc(C(C)(C)C)n[nH]1 ZINC000574596401 823775816 /nfs/dbraw/zinc/77/58/16/823775816.db2.gz OOYYLFBUNIOGKO-UHFFFAOYSA-N 1 0 382.430 4.187 20 0 GIADRO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c1 ZINC000191807865 823776462 /nfs/dbraw/zinc/77/64/62/823776462.db2.gz XPJGGPBIAFKSSF-RDJZCZTQSA-N 1 0 375.266 4.002 20 0 GIADRO C[C@H](c1ccccc1C(F)(F)F)[C@H](C)NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000164092070 823776701 /nfs/dbraw/zinc/77/67/01/823776701.db2.gz VGCVGQOZOBYABO-YIOZNXECSA-N 1 0 397.485 4.323 20 0 GIADRO COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000191808749 823776941 /nfs/dbraw/zinc/77/69/41/823776941.db2.gz FWLUVQMASHWLSF-JKSUJKDBSA-N 1 0 394.943 4.347 20 0 GIADRO Cn1cc([C@H]([NH2+]CCc2ccc(OC(F)(F)F)cc2)c2ccccc2)cn1 ZINC000574602315 823776797 /nfs/dbraw/zinc/77/67/97/823776797.db2.gz YQXTZDWXAGFIKB-LJQANCHMSA-N 1 0 375.394 4.240 20 0 GIADRO C[NH+](C)CCOc1ccccc1-c1noc(CC2CC(c3ccccc3)C2)n1 ZINC000574603342 823777509 /nfs/dbraw/zinc/77/75/09/823777509.db2.gz GTLFEVSPFPCBTF-UHFFFAOYSA-N 1 0 377.488 4.413 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)N(C)CCc2ccc(F)cc2)[NH+]2CCCC2)cc1 ZINC000064236969 823777704 /nfs/dbraw/zinc/77/77/04/823777704.db2.gz OKTNYMPMXRGWRE-JOCHJYFZSA-N 1 0 383.511 4.155 20 0 GIADRO CCOc1ccc(CN(C)C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1 ZINC000064237664 823778375 /nfs/dbraw/zinc/77/83/75/823778375.db2.gz RQXJOOJCBMXNPT-QHCPKHFHSA-N 1 0 395.547 4.372 20 0 GIADRO CC1CC[NH+]([C@H](CNC(=O)NCCCOC2CCCC2)c2cccs2)CC1 ZINC000064241883 823779178 /nfs/dbraw/zinc/77/91/78/823779178.db2.gz PLHOPYKMFNINBI-LJQANCHMSA-N 1 0 393.597 4.170 20 0 GIADRO Brc1ccc2c(c1)C=C(C[NH+]1CCC(c3ccncc3)CC1)CO2 ZINC000574607307 823779369 /nfs/dbraw/zinc/77/93/69/823779369.db2.gz XHNCNVAGMOBAHF-UHFFFAOYSA-N 1 0 385.305 4.500 20 0 GIADRO C[C@H](NC(=O)N1CCC([NH+]2CCCC2)CC1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000164121923 823779860 /nfs/dbraw/zinc/77/98/60/823779860.db2.gz HJJRYNNXPNXXGF-CVEARBPZSA-N 1 0 397.485 4.467 20 0 GIADRO CN(C(=O)NCC1CC[NH+](Cc2cccs2)CC1)[C@@H]1CCc2ccccc21 ZINC000064251280 823780362 /nfs/dbraw/zinc/78/03/62/823780362.db2.gz FOTRDKSRQVGWBO-OAQYLSRUSA-N 1 0 383.561 4.289 20 0 GIADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1sc2ccccc2c1Br ZINC000574611338 823780712 /nfs/dbraw/zinc/78/07/12/823780712.db2.gz OMAOHOHRBGRVKF-GFCCVEGCSA-N 1 0 381.339 4.078 20 0 GIADRO O=C(Nc1cccc(CNC2CC[NH+](CC3CC3)CC2)c1)c1cccc(F)c1 ZINC000126088384 823783675 /nfs/dbraw/zinc/78/36/75/823783675.db2.gz SSYQJXCLYGEQRR-UHFFFAOYSA-N 1 0 381.495 4.042 20 0 GIADRO COc1ccc([C@H](C)[NH2+]C[C@@H](c2cccnc2)C(C)C)cc1Cn1cccn1 ZINC000164185996 823784513 /nfs/dbraw/zinc/78/45/13/823784513.db2.gz OFWZLMLHOPJCOD-PGRDOPGGSA-N 1 0 378.520 4.425 20 0 GIADRO COc1cccc(COCC[NH2+][C@H]2CCc3sc(Br)cc32)c1 ZINC000574624011 823784581 /nfs/dbraw/zinc/78/45/81/823784581.db2.gz BHWMYLWASVFQID-HNNXBMFYSA-N 1 0 382.323 4.313 20 0 GIADRO Cc1ccc([C@H](CNC(=O)c2cnnc(-c3ccccc3)c2)[NH+]2CCCC2)cc1 ZINC000574627328 823785035 /nfs/dbraw/zinc/78/50/35/823785035.db2.gz QJTQGXRCAUSJKJ-QHCPKHFHSA-N 1 0 386.499 4.019 20 0 GIADRO OC1(C[NH2+][C@@H](Cc2ccccn2)c2ccc(Br)cc2)CCCC1 ZINC000164203372 823786099 /nfs/dbraw/zinc/78/60/99/823786099.db2.gz URUUUSZUKKDPNR-SFHVURJKSA-N 1 0 375.310 4.023 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CCC(OC2CCCCC2)CC1 ZINC000126100164 823787548 /nfs/dbraw/zinc/78/75/48/823787548.db2.gz CIZYEUGDDRONBF-UHFFFAOYSA-N 1 0 399.579 4.174 20 0 GIADRO CCCCC[C@H](C)[NH2+]Cc1cccnc1Oc1cccc(S(C)(=O)=O)c1 ZINC000164230774 823788085 /nfs/dbraw/zinc/78/80/85/823788085.db2.gz HXIIQXQCEGIGQK-INIZCTEOSA-N 1 0 376.522 4.336 20 0 GIADRO C[C@H]([NH2+]Cc1cccnc1Oc1cccc(S(C)(=O)=O)c1)c1cccs1 ZINC000164235468 823788544 /nfs/dbraw/zinc/78/85/44/823788544.db2.gz HMGWOPXVPZWHKY-AWEZNQCLSA-N 1 0 388.514 4.190 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCC=C(F)C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000462000397 823790376 /nfs/dbraw/zinc/79/03/76/823790376.db2.gz BARZQMKHRLNDGM-MAUKXSAKSA-N 1 0 399.432 4.357 20 0 GIADRO CC[NH+](CC)CCSCC(=O)N(Cc1c(F)cccc1F)C1CCCC1 ZINC000462002050 823790677 /nfs/dbraw/zinc/79/06/77/823790677.db2.gz GSTHSJAYOURISC-UHFFFAOYSA-N 1 0 384.536 4.311 20 0 GIADRO O=C(Nc1cccc(Cl)c1-n1cccn1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000574653020 823790975 /nfs/dbraw/zinc/79/09/75/823790975.db2.gz DWNLJEPBKRGGPX-UHFFFAOYSA-N 1 0 380.879 4.374 20 0 GIADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000462005724 823792358 /nfs/dbraw/zinc/79/23/58/823792358.db2.gz FAAQVOHAEUBAGO-RDTXWAMCSA-N 1 0 391.947 4.183 20 0 GIADRO CSCC[C@H]([NH2+][C@H](C)c1ccc(-n2ccnc2)cc1)c1nnc2ccccn21 ZINC000164281165 823792769 /nfs/dbraw/zinc/79/27/69/823792769.db2.gz CKMUNOZSSCMNJM-APWZRJJASA-N 1 0 392.532 4.060 20 0 GIADRO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1cc(-c2ccccc2)ns1 ZINC000462010763 823793637 /nfs/dbraw/zinc/79/36/37/823793637.db2.gz UDMRCNYNVPNZMC-IBGZPJMESA-N 1 0 391.540 4.105 20 0 GIADRO O=C(Nc1cccc(COc2ccc(F)cc2)c1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000574664226 823794516 /nfs/dbraw/zinc/79/45/16/823794516.db2.gz LYVWIRIGYPEFKI-JOCHJYFZSA-N 1 0 383.467 4.012 20 0 GIADRO O=C(NCCCc1c[nH]c2ccccc12)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000462015284 823795105 /nfs/dbraw/zinc/79/51/05/823795105.db2.gz NYLAQYICUMGJLH-HSZRJFAPSA-N 1 0 375.516 4.271 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(OCCOc2ccc(Cl)cc2)cc1)c1cnn(C)c1 ZINC000164328567 823796291 /nfs/dbraw/zinc/79/62/91/823796291.db2.gz CTONOEGRKAQWKH-INIZCTEOSA-N 1 0 385.895 4.382 20 0 GIADRO C[C@@H]([NH2+][C@@H]1COc2ccccc2C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000164341298 823796810 /nfs/dbraw/zinc/79/68/10/823796810.db2.gz DDOMZMJQGDUXHK-APWZRJJASA-N 1 0 385.529 4.057 20 0 GIADRO c1cn2cc(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)nc2s1 ZINC000064344697 823797121 /nfs/dbraw/zinc/79/71/21/823797121.db2.gz YMJSPMQUPQPMAK-UHFFFAOYSA-N 1 0 388.540 4.303 20 0 GIADRO Cc1nc(C(F)(F)F)sc1C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000462021198 823797659 /nfs/dbraw/zinc/79/76/59/823797659.db2.gz CEIGGHSZOUAUQE-UHFFFAOYSA-N 1 0 383.439 4.361 20 0 GIADRO Clc1cccc(C2(C[NH2+][C@H](c3ncc[nH]3)c3ccccc3)CCOCC2)c1 ZINC000126139052 823797714 /nfs/dbraw/zinc/79/77/14/823797714.db2.gz OIWFWCQQGCCPGO-FQEVSTJZSA-N 1 0 381.907 4.491 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)N1CCCCC[C@@H]1c1ccccc1 ZINC000126139444 823797724 /nfs/dbraw/zinc/79/77/24/823797724.db2.gz AWBOYDCBWBFYMD-HSZRJFAPSA-N 1 0 392.547 4.373 20 0 GIADRO CCc1nc2ccc(Cl)cn2c1C(=O)N(CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000462022897 823798148 /nfs/dbraw/zinc/79/81/48/823798148.db2.gz MGSQOAYGDSFAGD-UHFFFAOYSA-N 1 0 398.938 4.274 20 0 GIADRO O=C1CCCN1[C@@H]1CCCN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)CC1 ZINC000413567886 823798391 /nfs/dbraw/zinc/79/83/91/823798391.db2.gz LIUDADKFGOULLK-OAHLLOKOSA-N 1 0 377.410 4.235 20 0 GIADRO c1csc(CC[NH+]2CCN(Cc3csc(-c4ccsc4)n3)CC2)c1 ZINC000064352089 823799291 /nfs/dbraw/zinc/79/92/91/823799291.db2.gz HHMPYPYKCDRUMQ-UHFFFAOYSA-N 1 0 375.588 4.293 20 0 GIADRO Cc1ccc(NC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)cc1C(F)(F)F ZINC000462025489 823800005 /nfs/dbraw/zinc/80/00/05/823800005.db2.gz FVUOLHJIFMTANY-UHFFFAOYSA-N 1 0 391.437 4.014 20 0 GIADRO C[C@H](CC(=O)N1CCC[C@H]1C[NH+]1CCCC1)c1ccc(F)c(Br)c1 ZINC000462027558 823801307 /nfs/dbraw/zinc/80/13/07/823801307.db2.gz AEEPOMQHJAURHK-ZBFHGGJFSA-N 1 0 397.332 4.169 20 0 GIADRO C[C@@H](CC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)c1ccc(F)c(Br)c1 ZINC000462027556 823801331 /nfs/dbraw/zinc/80/13/31/823801331.db2.gz AEEPOMQHJAURHK-GOEBONIOSA-N 1 0 397.332 4.169 20 0 GIADRO Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@@H](C)c3ccc(C)cc3C)CC2)cc1 ZINC000462028221 823801725 /nfs/dbraw/zinc/80/17/25/823801725.db2.gz PGTFQKJZRWYKMR-IBGZPJMESA-N 1 0 386.561 4.116 20 0 GIADRO Cc1cccc2c(CC[NH2+]C3CCN(c4ccc(N(C)C)cc4)CC3)c[nH]c21 ZINC000164432845 823802827 /nfs/dbraw/zinc/80/28/27/823802827.db2.gz GSHNFAIPLKZYKZ-UHFFFAOYSA-N 1 0 376.548 4.343 20 0 GIADRO COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H]1CCC(C)C ZINC000191883211 823803040 /nfs/dbraw/zinc/80/30/40/823803040.db2.gz KLOGTUBFQGSXCW-VDZJLULYSA-N 1 0 389.540 4.175 20 0 GIADRO O=C(Nc1ccccc1)c1nnc(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2)s1 ZINC000191884330 823803645 /nfs/dbraw/zinc/80/36/45/823803645.db2.gz JQUCSIDTSYGLDU-HKUYNNGSSA-N 1 0 392.528 4.291 20 0 GIADRO CCCn1nc(C)c(CNc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)c1C ZINC000126165497 823803615 /nfs/dbraw/zinc/80/36/15/823803615.db2.gz RYUQKBBOZFAKJM-UHFFFAOYSA-N 1 0 397.567 4.337 20 0 GIADRO Cc1c(NC(=O)N(CC[NH+](C)C)CC(C)C)cccc1C(=O)Nc1ccccc1 ZINC000126169503 823804652 /nfs/dbraw/zinc/80/46/52/823804652.db2.gz PZTYYISQPBQNCJ-UHFFFAOYSA-N 1 0 396.535 4.299 20 0 GIADRO COc1ccc(CNc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)cc1F ZINC000126177940 823806019 /nfs/dbraw/zinc/80/60/19/823806019.db2.gz FDWRXMBFUDWAJO-UHFFFAOYSA-N 1 0 385.483 4.261 20 0 GIADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)N[C@@H](c3c(Cl)cccc3Cl)C3CC3)[C@@H]2C1 ZINC000462038184 823806553 /nfs/dbraw/zinc/80/65/53/823806553.db2.gz FITSAZQLXQFRAY-XHBKTUGNSA-N 1 0 382.335 4.180 20 0 GIADRO CC(=O)NC1CCC([NH2+][C@@H]2C[C@H](C)CCc3ccc(Br)cc32)CC1 ZINC000574713578 823806654 /nfs/dbraw/zinc/80/66/54/823806654.db2.gz RNOWSFLUFBQWAA-LSCHKPBBSA-N 1 0 393.369 4.500 20 0 GIADRO CC(C)(C)c1n[nH]cc1CNc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC000126182625 823807024 /nfs/dbraw/zinc/80/70/24/823807024.db2.gz JKGDFJZFWAQSPF-UHFFFAOYSA-N 1 0 383.540 4.134 20 0 GIADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000574717211 823807804 /nfs/dbraw/zinc/80/78/04/823807804.db2.gz BNPNHCSKXRKPEY-CVEARBPZSA-N 1 0 388.581 4.321 20 0 GIADRO COc1ccc(C[NH2+][C@@H](C)c2sc(-c3cccnc3)nc2C)c(OC)c1OC ZINC000164570007 823808991 /nfs/dbraw/zinc/80/89/91/823808991.db2.gz ZCJWYHAFMIGGAE-ZDUSSCGKSA-N 1 0 399.516 4.390 20 0 GIADRO Cc1cccc(C)c1OC[C@@H](O)C[NH+]1CCC(c2noc3cc(F)ccc32)CC1 ZINC000574727914 823811844 /nfs/dbraw/zinc/81/18/44/823811844.db2.gz FSGGCNJPXYJUBU-IBGZPJMESA-N 1 0 398.478 4.203 20 0 GIADRO Cc1nc(-c2ccc([C@@H](C)NC(=O)NC3CC[NH+](C4CCC4)CC3)cc2)cs1 ZINC000574729026 823812352 /nfs/dbraw/zinc/81/23/52/823812352.db2.gz NPWPRLRZKLTKCR-OAHLLOKOSA-N 1 0 398.576 4.496 20 0 GIADRO Cc1ccc([C@H](C[NH2+][C@@H](C)c2sc(C(C)C)nc2C)N2CCOCC2)o1 ZINC000164622120 823812654 /nfs/dbraw/zinc/81/26/54/823812654.db2.gz UQOCECXPOFQAPI-RDJZCZTQSA-N 1 0 377.554 4.200 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(N2CCCC2=O)cc1)c1cccc(Cl)c1 ZINC000126212942 823813126 /nfs/dbraw/zinc/81/31/26/823813126.db2.gz SGNAFNXXROXROB-CABCVRRESA-N 1 0 385.895 4.145 20 0 GIADRO COCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1 ZINC000064410726 823813093 /nfs/dbraw/zinc/81/30/93/823813093.db2.gz RNZYDZPMTDRHFE-UHFFFAOYSA-N 1 0 379.504 4.310 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1cccc(Cl)c1)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000126213438 823813267 /nfs/dbraw/zinc/81/32/67/823813267.db2.gz SGNAFNXXROXROB-HUUCEWRRSA-N 1 0 385.895 4.145 20 0 GIADRO COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)Nc2cccc3c2C[N@H+](CC(C)C)C3)c1 ZINC000191928319 823813900 /nfs/dbraw/zinc/81/39/00/823813900.db2.gz CNYMERYYCWNMSX-QUCCMNQESA-N 1 0 394.515 4.418 20 0 GIADRO Cc1cccc(Nc2nn(CN3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)c(=S)s2)c1 ZINC000164654622 823814437 /nfs/dbraw/zinc/81/44/37/823814437.db2.gz JEGFNERXDKUHKD-NVXWUHKLSA-N 1 0 389.594 4.100 20 0 GIADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000164647405 823814833 /nfs/dbraw/zinc/81/48/33/823814833.db2.gz NSAXUJIMWINLGM-LBPRGKRZSA-N 1 0 375.847 4.041 20 0 GIADRO CC1CC[NH+](C[C@H]2CCCN(C(=O)NCc3cnccc3C(C)(C)C)C2)CC1 ZINC000413673485 823814911 /nfs/dbraw/zinc/81/49/11/823814911.db2.gz BRNCBXACIOTACG-LJQANCHMSA-N 1 0 386.584 4.033 20 0 GIADRO Cc1cccc(-c2noc(C[NH2+]C3(Cc4ccc(F)cc4)CCOCC3)n2)c1 ZINC000574739753 823815286 /nfs/dbraw/zinc/81/52/86/823815286.db2.gz FGDYDJKSUMRBDI-UHFFFAOYSA-N 1 0 381.451 4.066 20 0 GIADRO Cc1nc(-c2ccc([C@H](C)NC(=O)NC[C@H]3CC[C@H](C[NH3+])CC3)cc2)cs1 ZINC000574741596 823815651 /nfs/dbraw/zinc/81/56/51/823815651.db2.gz ZDYDOAQFLPODEI-XIRDDKMYSA-N 1 0 386.565 4.244 20 0 GIADRO O=C(c1cc(-c2ccccc2C(F)(F)F)on1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000462058197 823815890 /nfs/dbraw/zinc/81/58/90/823815890.db2.gz WWVQLBKZCGNAKU-CQSZACIVSA-N 1 0 393.409 4.061 20 0 GIADRO Cc1nccn1CCCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000164708769 823816630 /nfs/dbraw/zinc/81/66/30/823816630.db2.gz ZHZQROLCNFAZSO-KRWDZBQOSA-N 1 0 389.565 4.039 20 0 GIADRO CCC(CC)[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)NC)cc1)c1cccs1 ZINC000164721877 823817276 /nfs/dbraw/zinc/81/72/76/823817276.db2.gz KXXOZULYPPGIMC-IFXJQAMLSA-N 1 0 380.579 4.484 20 0 GIADRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)N[C@@H]1CCc2sc(Cl)cc21 ZINC000462064222 823817718 /nfs/dbraw/zinc/81/77/18/823817718.db2.gz WXQGUJQFRULBPY-MRXNPFEDSA-N 1 0 395.931 4.301 20 0 GIADRO CCOc1ccccc1Oc1ccc(CNC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])cn1 ZINC000164754214 823818141 /nfs/dbraw/zinc/81/81/41/823818141.db2.gz XYDISMCBOVBRKB-MOPGFXCFSA-N 1 0 397.519 4.187 20 0 GIADRO CC(C)n1cc([C@@H](C)[NH2+][C@@H]2CCN(c3ccc(Br)cc3)C2)cn1 ZINC000164759135 823818831 /nfs/dbraw/zinc/81/88/31/823818831.db2.gz ZWEMERHIWAENPU-RHSMWYFYSA-N 1 0 377.330 4.156 20 0 GIADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCc2cnccc2C(C)(C)C)C1 ZINC000413693631 823819226 /nfs/dbraw/zinc/81/92/26/823819226.db2.gz LQMHVCBZOKFKSL-OALUTQOASA-N 1 0 386.584 4.175 20 0 GIADRO Cc1ccccc1-c1cc(NC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)n(C)n1 ZINC000462076278 823820634 /nfs/dbraw/zinc/82/06/34/823820634.db2.gz VEOYCIDCSQPMAC-SFHVURJKSA-N 1 0 383.540 4.172 20 0 GIADRO CC(=O)N(c1nc(CN(C[C@@H]2CCOC2)C2CC2)cs1)c1ccc(C)cc1C ZINC000164814588 823821118 /nfs/dbraw/zinc/82/11/18/823821118.db2.gz NCLHXNLXJRWPJG-SFHVURJKSA-N 1 0 399.560 4.445 20 0 GIADRO CC(C)n1c2ccccc2nc1[C@H](C)NC(=O)c1ccccc1OCC[NH+](C)C ZINC000164856449 823823129 /nfs/dbraw/zinc/82/31/29/823823129.db2.gz COPLEJZOASPDMN-KRWDZBQOSA-N 1 0 394.519 4.049 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)CCC(=O)c3cccs3)C2)s1 ZINC000574777894 823823952 /nfs/dbraw/zinc/82/39/52/823823952.db2.gz ABLSPPMLBQRJDA-INIZCTEOSA-N 1 0 390.574 4.061 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)CSc1ccccc1 ZINC000064470692 823825154 /nfs/dbraw/zinc/82/51/54/823825154.db2.gz SWYCMAHRWROGBZ-UHFFFAOYSA-N 1 0 396.478 4.388 20 0 GIADRO CC(C)(C)OC1CC[NH+](C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000164911035 823824991 /nfs/dbraw/zinc/82/49/91/823824991.db2.gz SLPWULSYJOWPMY-CYBMUJFWSA-N 1 0 376.324 4.013 20 0 GIADRO O=C(Nc1ccc2c(c1)C[NH2+]CCO2)N[C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000574783445 823825380 /nfs/dbraw/zinc/82/53/80/823825380.db2.gz CISASYUAPCBCHU-LJQANCHMSA-N 1 0 389.858 4.234 20 0 GIADRO C[C@H](C(=O)N1CCC(c2nc(-c3ccncc3)cs2)CC1)[NH+]1CCCCCC1 ZINC000462093765 823826109 /nfs/dbraw/zinc/82/61/09/823826109.db2.gz ORYBIMZJXVHWCE-QGZVFWFLSA-N 1 0 398.576 4.176 20 0 GIADRO Cc1ccccc1-c1cc(NC(=O)NCCCCC[NH+]2CCCCC2)n(C)n1 ZINC000462100208 823827896 /nfs/dbraw/zinc/82/78/96/823827896.db2.gz HEIYYAOJQQPGIB-UHFFFAOYSA-N 1 0 383.540 4.173 20 0 GIADRO CC1CC[NH+](CCSc2nnc(-c3cccc(Br)c3)o2)CC1 ZINC000164976739 823828149 /nfs/dbraw/zinc/82/81/49/823828149.db2.gz NIYQUBQDJAYQAF-UHFFFAOYSA-N 1 0 382.327 4.323 20 0 GIADRO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000164986886 823828593 /nfs/dbraw/zinc/82/85/93/823828593.db2.gz OMIBAIDFDUSRLE-MRXNPFEDSA-N 1 0 394.519 4.320 20 0 GIADRO COC1CCN(C(C)(C)C[NH2+]C(Cc2ccccc2)Cc2ccccc2)CC1 ZINC000462106421 823829213 /nfs/dbraw/zinc/82/92/13/823829213.db2.gz SRDOREXVPGKMPF-UHFFFAOYSA-N 1 0 380.576 4.319 20 0 GIADRO COc1cccc([C@H](CNC(=O)c2cscc2-c2ccccc2)[NH+](C)C)c1 ZINC000574798375 823829630 /nfs/dbraw/zinc/82/96/30/823829630.db2.gz YSEVOFDTWOEHRH-NRFANRHFSA-N 1 0 380.513 4.456 20 0 GIADRO CC[C@@H]([NH2+]Cc1cccc(C(=O)NCc2ccco2)c1)c1ccc(OC)cc1 ZINC000165002923 823829740 /nfs/dbraw/zinc/82/97/40/823829740.db2.gz UVQZKIYDTWHKDC-JOCHJYFZSA-N 1 0 378.472 4.459 20 0 GIADRO O[C@H](C1CCN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)CC1)C(F)(F)F ZINC000126284959 823829655 /nfs/dbraw/zinc/82/96/55/823829655.db2.gz FZTPWZQRUFEXNJ-OAHLLOKOSA-N 1 0 378.316 4.393 20 0 GIADRO CCC[NH+]1CCC(N[C@@H](c2cccc(OC)c2)c2cc(F)ccc2OC)CC1 ZINC000462108846 823830160 /nfs/dbraw/zinc/83/01/60/823830160.db2.gz BMMYSBHQQPQUHW-QHCPKHFHSA-N 1 0 386.511 4.396 20 0 GIADRO CC[C@@H](C)Oc1ccc(C(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000126286665 823830571 /nfs/dbraw/zinc/83/05/71/823830571.db2.gz PEJFOZOLQZZJSI-GOSISDBHSA-N 1 0 381.520 4.248 20 0 GIADRO COCC[C@H]([NH2+]Cc1cccc(C(=O)NCc2ccco2)c1)c1ccc(F)cc1 ZINC000165041193 823831679 /nfs/dbraw/zinc/83/16/79/823831679.db2.gz ZDSUVIDQCCEJPI-QFIPXVFZSA-N 1 0 396.462 4.216 20 0 GIADRO C[C@@H](CNC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)CC(F)(F)F ZINC000413748142 823832323 /nfs/dbraw/zinc/83/23/23/823832323.db2.gz MTBOCBAQZNPEQH-YLJYHZDGSA-N 1 0 397.485 4.273 20 0 GIADRO CCN(C(=O)NC[C@H](C)CC(F)(F)F)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000413752117 823833650 /nfs/dbraw/zinc/83/36/50/823833650.db2.gz VQPJRAZOHITTTB-SOLBZPMBSA-N 1 0 385.474 4.442 20 0 GIADRO COc1cccc(-c2c[nH]cc2C(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000574817050 823833884 /nfs/dbraw/zinc/83/38/84/823833884.db2.gz PSIGFSGNLREHEQ-AOMKIAJQSA-N 1 0 377.488 4.112 20 0 GIADRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)C1(c2ccc(F)cc2)CCC1 ZINC000064521654 823835348 /nfs/dbraw/zinc/83/53/48/823835348.db2.gz IIXRFRCAGVWQMD-KRWDZBQOSA-N 1 0 386.536 4.337 20 0 GIADRO Cc1nc2cc(F)ccc2cc1C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000064521733 823835608 /nfs/dbraw/zinc/83/56/08/823835608.db2.gz CKVYDQWEHYDKEX-INIZCTEOSA-N 1 0 397.519 4.386 20 0 GIADRO COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(OC(C)C)cc2)c1C ZINC000574828520 823835924 /nfs/dbraw/zinc/83/59/24/823835924.db2.gz YRRCFYLNSWCYIS-GOEBONIOSA-N 1 0 386.492 4.127 20 0 GIADRO C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1)C(=O)Nc1c(F)cccc1F ZINC000192025255 823836688 /nfs/dbraw/zinc/83/66/88/823836688.db2.gz DYIQUISJBNWGEL-SDDDUWNISA-N 1 0 380.822 4.065 20 0 GIADRO CCN(C(=O)NC1CCC(COC)CC1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000413766518 823837414 /nfs/dbraw/zinc/83/74/14/823837414.db2.gz FLHKPJRVFQHFGF-XMCAMKFCSA-N 1 0 387.568 4.059 20 0 GIADRO O=C(C[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1)Nc1cccc2c1N=S=N2 ZINC000192031137 823837740 /nfs/dbraw/zinc/83/77/40/823837740.db2.gz XNZDLBQEEOMXKV-QAPCUYQASA-N 1 0 388.880 4.125 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)c2sc(C(F)(F)F)nc2C)CC1 ZINC000462128769 823838371 /nfs/dbraw/zinc/83/83/71/823838371.db2.gz OMVMIEILUCBQHR-UHFFFAOYSA-N 1 0 377.476 4.054 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Nc1ccccc1CCC(F)(F)F)Cc1ccccc1 ZINC000126318277 823838457 /nfs/dbraw/zinc/83/84/57/823838457.db2.gz RYAANXLPHLOJRJ-GOSISDBHSA-N 1 0 393.453 4.476 20 0 GIADRO CO[C@](C)(C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000462128862 823838547 /nfs/dbraw/zinc/83/85/47/823838547.db2.gz IHMFYJBIBRUCIP-BPAFIMBUSA-N 1 0 398.469 4.020 20 0 GIADRO CCc1ccc([C@H](COC)[NH2+][C@H](C)CC(=O)Nc2cc(Cl)ccc2OC)o1 ZINC000165283334 823841817 /nfs/dbraw/zinc/84/18/17/823841817.db2.gz ZSUQAELWXRXGDV-DYVFJYSZSA-N 1 0 394.899 4.198 20 0 GIADRO C[C@H](C(=O)Nc1ccc(F)cc1OCCC(F)(F)F)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000413790441 823842173 /nfs/dbraw/zinc/84/21/73/823842173.db2.gz KIZJBCPROGMGKH-FRRDWIJNSA-N 1 0 376.394 4.357 20 0 GIADRO Cc1c(Cl)cccc1NC(=O)C[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000192045152 823842919 /nfs/dbraw/zinc/84/29/19/823842919.db2.gz VMDDRYWVVGWQLT-MJGOQNOKSA-N 1 0 379.287 4.360 20 0 GIADRO C[C@H]([C@@H]1CCC[N@@H+](C2CCC2)C1)N1C(=O)N[C@@H](c2ccc3ccccc3c2)C1=O ZINC000574852738 823843731 /nfs/dbraw/zinc/84/37/31/823843731.db2.gz YXZPFMVPMMNRIZ-CNDZOEFASA-N 1 0 391.515 4.086 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Nc1cc(OC)ccc1Cl)Cc1ccccc1 ZINC000064561066 823844484 /nfs/dbraw/zinc/84/44/84/823844484.db2.gz IVGGHCNKEYRXNH-KRWDZBQOSA-N 1 0 389.927 4.423 20 0 GIADRO O=C(C[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)Nc1ccccc1C(F)(F)F ZINC000192051368 823844950 /nfs/dbraw/zinc/84/49/50/823844950.db2.gz NNKYWILCPJTOLF-SJLPKXTDSA-N 1 0 398.812 4.417 20 0 GIADRO CN1CCCc2cc(NC(=O)NCC(C)(C)[N@@H+]3CCc4ccccc4C3)ccc21 ZINC000064562159 823845361 /nfs/dbraw/zinc/84/53/61/823845361.db2.gz KLVUKOUTMMSQPM-UHFFFAOYSA-N 1 0 392.547 4.027 20 0 GIADRO O=C(Nc1ccc2c(c1)C[NH2+]CCO2)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000574860246 823845886 /nfs/dbraw/zinc/84/58/86/823845886.db2.gz PLVKZWPMHGASEQ-LJQANCHMSA-N 1 0 381.451 4.065 20 0 GIADRO CSc1ccc(NC(=O)C[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000192058220 823846584 /nfs/dbraw/zinc/84/65/84/823846584.db2.gz XKLLNSDJCBONEH-IEBWSBKVSA-N 1 0 376.909 4.120 20 0 GIADRO CC[C@H](C(=O)NC1(c2nc(-c3ccccc3F)c(C)s2)CCC1)[NH+](C)C ZINC000413839679 823848596 /nfs/dbraw/zinc/84/85/96/823848596.db2.gz NPWHKEJRAGGBLL-MRXNPFEDSA-N 1 0 375.513 4.093 20 0 GIADRO C[C@@H](CC(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1)C1CCCCC1 ZINC000574875575 823848689 /nfs/dbraw/zinc/84/86/89/823848689.db2.gz ULUBSTJOJOBVPI-KRWDZBQOSA-N 1 0 386.584 4.189 20 0 GIADRO COc1ccc(-c2nc(C[N@@H+]3CC[C@H](c4cccnc4)C3)cs2)c(OC)c1 ZINC000574873427 823848950 /nfs/dbraw/zinc/84/89/50/823848950.db2.gz BFLULRGYIVSOPH-INIZCTEOSA-N 1 0 381.501 4.212 20 0 GIADRO C[C@H]([NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21)c1ccc(NC(N)=O)cc1 ZINC000165488536 823850802 /nfs/dbraw/zinc/85/08/02/823850802.db2.gz UVIRCOIOEXXGCY-GTNSWQLSSA-N 1 0 379.382 4.414 20 0 GIADRO CN(C(=O)Nc1ccc(Cl)cc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000165548320 823853504 /nfs/dbraw/zinc/85/35/04/823853504.db2.gz SZNFHBUCDRJGKX-UXHICEINSA-N 1 0 392.975 4.141 20 0 GIADRO COc1cc(NC(=O)CC[NH2+][C@@H]2CCc3cc(F)ccc32)c(OC)cc1Cl ZINC000574895741 823854680 /nfs/dbraw/zinc/85/46/80/823854680.db2.gz CXHVFGSIECUMRR-MRXNPFEDSA-N 1 0 392.858 4.102 20 0 GIADRO CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]CCc2ccc(NC(C)=O)cc2)cc1 ZINC000165588745 823854796 /nfs/dbraw/zinc/85/47/96/823854796.db2.gz SJLKPBYDLGHNNX-QGZVFWFLSA-N 1 0 396.535 4.412 20 0 GIADRO CCC[N@H+](CC(=O)Nc1ccc2c(c1)OCCCO2)[C@H]1CCc2ccccc2C1 ZINC000064632615 823855805 /nfs/dbraw/zinc/85/58/05/823855805.db2.gz SOBXAYHHFZTMIE-NRFANRHFSA-N 1 0 394.515 4.056 20 0 GIADRO CCc1nc(C)c([C@@H](C)[NH2+]CCCc2nnc(SC)n2CC(C)C)s1 ZINC000165627993 823855989 /nfs/dbraw/zinc/85/59/89/823855989.db2.gz WNPCBHUJTVJHON-CYBMUJFWSA-N 1 0 381.615 4.267 20 0 GIADRO CCN(CCc1ccccc1)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000064643854 823856369 /nfs/dbraw/zinc/85/63/69/823856369.db2.gz ROBCEHCUICAAER-FQEVSTJZSA-N 1 0 385.577 4.234 20 0 GIADRO Cc1ccsc1CN(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000064644520 823856642 /nfs/dbraw/zinc/85/66/42/823856642.db2.gz GJXBIRJPZKBTRZ-INIZCTEOSA-N 1 0 377.579 4.172 20 0 GIADRO COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCCc3ccccc32)c(OC)c1 ZINC000126400890 823857707 /nfs/dbraw/zinc/85/77/07/823857707.db2.gz SYLORZMFQFNUEZ-AEFFLSMTSA-N 1 0 382.504 4.131 20 0 GIADRO COc1cc(OC)c([C@H](C)[NH2+]CCc2ccc(NC(C)=O)cc2)cc1Cl ZINC000165674890 823857846 /nfs/dbraw/zinc/85/78/46/823857846.db2.gz AERSARBAOYTQMP-ZDUSSCGKSA-N 1 0 376.884 4.209 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCC(C)(C)c2cccnc2)CC1 ZINC000413884619 823857994 /nfs/dbraw/zinc/85/79/94/823857994.db2.gz CDAZFNOCNUHWLM-LJQANCHMSA-N 1 0 386.584 4.045 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccccc1CCC(F)(F)F ZINC000462184605 823858831 /nfs/dbraw/zinc/85/88/31/823858831.db2.gz BCZPCPLZFXCCDS-OXJNMPFZSA-N 1 0 390.449 4.432 20 0 GIADRO CCN(C(=O)NCC(C)(C)c1cccnc1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000413887677 823859439 /nfs/dbraw/zinc/85/94/39/823859439.db2.gz JEDMMQPVHBAYNS-UGKGYDQZSA-N 1 0 394.563 4.226 20 0 GIADRO CC[C@H]([NH2+][C@H](C)c1ccnc(Cl)c1)c1ccccc1OCC(=O)N(C)C ZINC000165694180 823859464 /nfs/dbraw/zinc/85/94/64/823859464.db2.gz SNGVLXVJQCLMNO-PBHICJAKSA-N 1 0 375.900 4.004 20 0 GIADRO Cc1[nH+]c2c(Cl)cccc2c(N2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)c1C ZINC000574909887 823859481 /nfs/dbraw/zinc/85/94/81/823859481.db2.gz ZBZCTMWUDBDTNU-DNVCBOLYSA-N 1 0 383.923 4.485 20 0 GIADRO [NH3+][C@H]1CCc2nc(NC(=O)c3cc(Cl)ccc3OC3CCCC3)sc2C1 ZINC000574915088 823860012 /nfs/dbraw/zinc/86/00/12/823860012.db2.gz BOZKSSNMSHLVHB-LBPRGKRZSA-N 1 0 391.924 4.186 20 0 GIADRO Cc1cccc(NC(=O)C[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c1C ZINC000192102893 823860549 /nfs/dbraw/zinc/86/05/49/823860549.db2.gz SARXCNNIRFJCOD-ICSRJNTNSA-N 1 0 376.859 4.154 20 0 GIADRO Cc1cccc(Br)c1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000574922301 823860614 /nfs/dbraw/zinc/86/06/14/823860614.db2.gz MWQKLEQNNMOSEB-UHFFFAOYSA-N 1 0 379.342 4.284 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C[C@H](C)c2ccc(F)c(Br)c2)C1 ZINC000462188616 823861101 /nfs/dbraw/zinc/86/11/01/823861101.db2.gz ODWVYDRNBMLVIF-LSDHHAIUSA-N 1 0 399.348 4.272 20 0 GIADRO C[C@H](SCc1ccccc1)C(=O)Nc1ccc(OCC[NH+](C)C)cc1F ZINC000413896504 823861711 /nfs/dbraw/zinc/86/17/11/823861711.db2.gz CJAHSGMOORPYRM-HNNXBMFYSA-N 1 0 376.497 4.027 20 0 GIADRO Cc1cc(NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)ccc1-c1ccncc1 ZINC000574926638 823861790 /nfs/dbraw/zinc/86/17/90/823861790.db2.gz JERMVMIFRQXHTF-HXUWFJFHSA-N 1 0 381.545 4.213 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C[C@@H](c1ccccc1)C(F)(F)F ZINC000462190977 823862314 /nfs/dbraw/zinc/86/23/14/823862314.db2.gz RUIRGSAGCNPEJU-UXPWSPDFSA-N 1 0 390.449 4.359 20 0 GIADRO COC(=O)c1oc([C@H](C)[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)cc1C ZINC000192105789 823862325 /nfs/dbraw/zinc/86/23/25/823862325.db2.gz QAQSDGVJAGPDRL-BKGUAONASA-N 1 0 381.831 4.348 20 0 GIADRO C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CCCC[C@H](N3C(=O)c4ccccc4C3=O)C2)C[C@H](C)O1 ZINC000574929444 823862530 /nfs/dbraw/zinc/86/25/30/823862530.db2.gz DYERTEMJAMLXBD-IVDHNXQLSA-N 1 0 398.547 4.167 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCCC2)c1)C(=O)N(C)Cc1cccc(F)c1 ZINC000126421758 823862628 /nfs/dbraw/zinc/86/26/28/823862628.db2.gz SBDLZZIOVKJWSW-ZWKOTPCHSA-N 1 0 383.511 4.124 20 0 GIADRO C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@@H]2C(=O)Nc2ccc(OCC[NH+](C)C)cc2F)o1 ZINC000413900412 823862788 /nfs/dbraw/zinc/86/27/88/823862788.db2.gz KKWOVNPJDUZQCC-IWCQGFGOSA-N 1 0 386.467 4.225 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(CCC(F)(F)F)cc1 ZINC000462193089 823863340 /nfs/dbraw/zinc/86/33/40/823863340.db2.gz VNFPECWCSBKNOC-JXFKEZNVSA-N 1 0 390.449 4.432 20 0 GIADRO CC(C)Oc1ccc([C@@H](CNC(=O)N2CCC[C@@H]2c2ccccn2)[NH+](C)C)cc1 ZINC000574935920 823864051 /nfs/dbraw/zinc/86/40/51/823864051.db2.gz ALLSNMZERREEIZ-FGZHOGPDSA-N 1 0 396.535 4.018 20 0 GIADRO CCC(CC)[C@@H]1C[C@@H](NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000165837984 823864115 /nfs/dbraw/zinc/86/41/15/823864115.db2.gz FHTGHRGKOWEPBU-VXKWHMMOSA-N 1 0 386.580 4.389 20 0 GIADRO CC[NH+](CC)[C@H]1CCN(C(=O)C[C@H](C)c2ccc(F)c(Br)c2)C1 ZINC000462197282 823865227 /nfs/dbraw/zinc/86/52/27/823865227.db2.gz CWVZCGKEFPOWAG-ZFWWWQNUSA-N 1 0 385.321 4.025 20 0 GIADRO COc1cccc(C[NH2+][C@H]2CCCOc3c(Br)cccc32)c1OC ZINC000165955629 823866987 /nfs/dbraw/zinc/86/69/87/823866987.db2.gz GNQAWFGBSSQQDE-INIZCTEOSA-N 1 0 392.293 4.470 20 0 GIADRO Cc1ccc(OCc2ccc(C(=O)NC3CC[NH+](CC(C)C)CC3)o2)c(C)c1 ZINC000064700154 823867774 /nfs/dbraw/zinc/86/77/74/823867774.db2.gz BEQXBQLCCRSHII-UHFFFAOYSA-N 1 0 384.520 4.326 20 0 GIADRO O=C(Cn1ccc2ccc(Cl)cc21)NCc1ccccc1C[NH+]1CCCC1 ZINC000064700663 823867885 /nfs/dbraw/zinc/86/78/85/823867885.db2.gz APHVMZKDOXZTGO-UHFFFAOYSA-N 1 0 381.907 4.207 20 0 GIADRO CC(=O)N(c1nc(CN2CCC[C@@H]([NH+]3CCCC3)CC2)cs1)c1ccccc1 ZINC000165995318 823867960 /nfs/dbraw/zinc/86/79/60/823867960.db2.gz YVQNMIVAZIZUKJ-HXUWFJFHSA-N 1 0 398.576 4.278 20 0 GIADRO Cc1nc(C(F)(F)F)sc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000462202106 823868370 /nfs/dbraw/zinc/86/83/70/823868370.db2.gz LISWLCHFRGMFJO-IUODEOHRSA-N 1 0 397.466 4.111 20 0 GIADRO Cc1ccccc1[C@H]([C@H](C)Nc1ccc(C(=O)N2CCC(C)CC2)cn1)[NH+](C)C ZINC000574949929 823869532 /nfs/dbraw/zinc/86/95/32/823869532.db2.gz ZDTVOCVTMNVQFJ-CVDCTZTESA-N 1 0 394.563 4.365 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)c1 ZINC000166156496 823871055 /nfs/dbraw/zinc/87/10/55/823871055.db2.gz URLNHTQRFINYSU-HNNXBMFYSA-N 1 0 387.474 4.238 20 0 GIADRO C[C@@H]([NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1)c1ccc([S@@](C)=O)cc1 ZINC000166176888 823871830 /nfs/dbraw/zinc/87/18/30/823871830.db2.gz XXPJQFQXTJCSNZ-RXAIFQJESA-N 1 0 392.515 4.017 20 0 GIADRO C[C@@H](OCC1CC1)C(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000064723772 823872073 /nfs/dbraw/zinc/87/20/73/823872073.db2.gz CEYLCPBOLBMDOB-LJQANCHMSA-N 1 0 392.543 4.381 20 0 GIADRO C[NH+](C)Cc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)c(F)c1 ZINC000413939091 823872008 /nfs/dbraw/zinc/87/20/08/823872008.db2.gz NPQKCCYXCPGULT-UHFFFAOYSA-N 1 0 390.886 4.228 20 0 GIADRO CCCOc1ccc(Oc2ncccc2CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166211742 823872800 /nfs/dbraw/zinc/87/28/00/823872800.db2.gz LDAGCCPVAVBXKY-WOJBJXKFSA-N 1 0 381.520 4.379 20 0 GIADRO O=C(CCSc1ccc(Br)cc1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000064730270 823873589 /nfs/dbraw/zinc/87/35/89/823873589.db2.gz INIOVRIDUBBXCJ-INIZCTEOSA-N 1 0 397.382 4.018 20 0 GIADRO CCOc1ccc(NC(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](CC)C2)cc1OC ZINC000574965838 823874854 /nfs/dbraw/zinc/87/48/54/823874854.db2.gz SJZJVXKNKYIPEM-FQEVSTJZSA-N 1 0 397.519 4.222 20 0 GIADRO COc1cc2[nH]c(CCC[NH2+]C3CCN(c4ccccc4)CC3)cc2c(OC)c1 ZINC000166345237 823875725 /nfs/dbraw/zinc/87/57/25/823875725.db2.gz ZXDLGYNPESWCHJ-UHFFFAOYSA-N 1 0 393.531 4.376 20 0 GIADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)Cc2csc(Cc3ccccc3)n2)C1 ZINC000064735736 823875897 /nfs/dbraw/zinc/87/58/97/823875897.db2.gz MWQNSXFXTMPQHS-UEXGIBASSA-N 1 0 397.588 4.140 20 0 GIADRO CN(C)C(=O)c1cccc(C[N@@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)c1 ZINC000126469467 823876269 /nfs/dbraw/zinc/87/62/69/823876269.db2.gz LHHWKXMOUBFWNW-QGZVFWFLSA-N 1 0 393.314 4.349 20 0 GIADRO CC(C)Cc1ccc(C(=O)CCC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC000064738983 823877004 /nfs/dbraw/zinc/87/70/04/823877004.db2.gz HYQQPDZCFUOVNL-UHFFFAOYSA-N 1 0 386.580 4.427 20 0 GIADRO FC(F)(F)c1ccc(-c2nc(CN3CCN(c4cc[nH+]cc4)CC3)co2)cc1 ZINC000166432733 823877635 /nfs/dbraw/zinc/87/76/35/823877635.db2.gz FEDBOGYORSEOAG-UHFFFAOYSA-N 1 0 388.393 4.078 20 0 GIADRO COc1cc(OC)c(CC[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)c(OC)c1 ZINC000166544717 823878790 /nfs/dbraw/zinc/87/87/90/823878790.db2.gz MFQIOFYFZWTWLX-UWJYYQICSA-N 1 0 385.504 4.012 20 0 GIADRO COc1ccccc1-c1ccc([C@H](C)[NH2+][C@H]2CCCN(c3cnn(C)c3)C2)cc1 ZINC000166508316 823879061 /nfs/dbraw/zinc/87/90/61/823879061.db2.gz OOEJOIYYPABANH-RXVVDRJESA-N 1 0 390.531 4.415 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@H]2CCCN(c3cnn(C)c3)C2)ccc1SC(F)F ZINC000166623768 823880145 /nfs/dbraw/zinc/88/01/45/823880145.db2.gz JMOOZEBDYACVAO-HIFRSBDPSA-N 1 0 396.507 4.063 20 0 GIADRO CC1CC[NH+](Cc2ccc(CNC(=O)c3ccncc3C(F)(F)F)cc2)CC1 ZINC000192148819 823880416 /nfs/dbraw/zinc/88/04/16/823880416.db2.gz LFDRJYMEPTWNEY-UHFFFAOYSA-N 1 0 391.437 4.262 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@H](C)c2cnn(-c3ccccn3)c2C)cc1 ZINC000166669364 823880606 /nfs/dbraw/zinc/88/06/06/823880606.db2.gz NVNNYOQCMKQJFD-IAGOWNOFSA-N 1 0 386.503 4.482 20 0 GIADRO C[N@@H+]1CCC[C@H]2CN(Cc3coc(-c4ccc(C(F)(F)F)cc4)n3)CC[C@@H]21 ZINC000166682703 823881202 /nfs/dbraw/zinc/88/12/02/823881202.db2.gz PEOZWPDSKRCVEM-YJBOKZPZSA-N 1 0 379.426 4.277 20 0 GIADRO Fc1ccc(-n2ccc(CC[NH2+][C@H](C[C@@H]3CCOC3)c3ccccc3)n2)cc1 ZINC000166723376 823881920 /nfs/dbraw/zinc/88/19/20/823881920.db2.gz GBFXHARSACUEKR-FDDCHVKYSA-N 1 0 379.479 4.311 20 0 GIADRO COc1cc([C@H](C)[NH2+]C[C@H]2CC3(CCC3)C(=O)O2)ccc1OCCC(C)C ZINC000192152389 823881944 /nfs/dbraw/zinc/88/19/44/823881944.db2.gz CFEHVTZSLPWFSQ-FUHWJXTLSA-N 1 0 375.509 4.257 20 0 GIADRO CC1(C)CC[C@H]([NH2+]C[C@H]2CC(=O)N(C3CC3)C2)c2cc(Br)ccc21 ZINC000574994946 823882033 /nfs/dbraw/zinc/88/20/33/823882033.db2.gz QBIBXQFFAYJWJA-ACJLOTCBSA-N 1 0 391.353 4.162 20 0 GIADRO Cc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)c(OCC2CC2)c1 ZINC000166918754 823884500 /nfs/dbraw/zinc/88/45/00/823884500.db2.gz JEYQMBOYAVKPCL-WMZHIEFXSA-N 1 0 379.548 4.179 20 0 GIADRO CC1(C(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000167088318 823885881 /nfs/dbraw/zinc/88/58/81/823885881.db2.gz DIOODFICHPWSIU-DHIUTWEWSA-N 1 0 392.543 4.325 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1cccc(Cl)c1Cl ZINC000126504940 823886133 /nfs/dbraw/zinc/88/61/33/823886133.db2.gz BYTXQTODDONDEP-UHFFFAOYSA-N 1 0 378.303 4.377 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)c3cccc(-n4cccc4)c3)C2)s1 ZINC000575009789 823886345 /nfs/dbraw/zinc/88/63/45/823886345.db2.gz FJDSUYCVIBHOGH-IBGZPJMESA-N 1 0 393.556 4.441 20 0 GIADRO Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000167124229 823886589 /nfs/dbraw/zinc/88/65/89/823886589.db2.gz WROKSLPLFMDTQV-GOSISDBHSA-N 1 0 396.579 4.426 20 0 GIADRO CCCc1c(C(=O)NC[C@@H]([NH2+][C@@H](C)CC)c2ccco2)cnn1C1CCCC1 ZINC000575016243 823888328 /nfs/dbraw/zinc/88/83/28/823888328.db2.gz JPUHAXTUSAJHGC-QFBILLFUSA-N 1 0 386.540 4.403 20 0 GIADRO Clc1cc(C[NH2+]C2CCN(Cc3ccccn3)CC2)ccc1Br ZINC000192166038 823888693 /nfs/dbraw/zinc/88/86/93/823888693.db2.gz IXGBYXZFWQIWAR-UHFFFAOYSA-N 1 0 394.744 4.252 20 0 GIADRO CCNC(=O)c1cccc(C[NH2+]Cc2ccc(Br)c(Cl)c2)c1 ZINC000192166399 823888714 /nfs/dbraw/zinc/88/87/14/823888714.db2.gz PWFQQIDGBPYYKP-UHFFFAOYSA-N 1 0 381.701 4.142 20 0 GIADRO COCc1cccc(OCC2(C[NH+]3CCC(c4noc(C5CC5)n4)CC3)CC2)c1 ZINC000462237742 823889345 /nfs/dbraw/zinc/88/93/45/823889345.db2.gz ONWMDPRTOVKRAM-UHFFFAOYSA-N 1 0 397.519 4.132 20 0 GIADRO COc1ccc2c(c1F)CC[C@H]2[NH2+]Cc1ccc(NC(=O)c2cccnc2)cc1 ZINC000575020886 823889980 /nfs/dbraw/zinc/88/99/80/823889980.db2.gz HFUQIWBZPRMNJR-HXUWFJFHSA-N 1 0 391.446 4.259 20 0 GIADRO CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2sc(-c3ccc(Cl)cc3)nc2C)C1 ZINC000126528553 823891330 /nfs/dbraw/zinc/89/13/30/823891330.db2.gz ABAMIEXCUFAABC-WBMJQRKESA-N 1 0 377.941 4.433 20 0 GIADRO Cc1ccc([C@@H](NC(=O)NCC2=CC[NH2+]CC2)c2ccc(F)cc2Cl)cc1 ZINC000575025926 823891683 /nfs/dbraw/zinc/89/16/83/823891683.db2.gz CZJZQVAKDZRMFV-HXUWFJFHSA-N 1 0 387.886 4.096 20 0 GIADRO C[N@H+](CCCNC(=O)C1(c2cccc(Cl)c2)CCOCC1)C1CCCCC1 ZINC000064822003 823892016 /nfs/dbraw/zinc/89/20/16/823892016.db2.gz RMZSHZGEYFZDIX-UHFFFAOYSA-N 1 0 392.971 4.159 20 0 GIADRO COc1cc(CN2CC[C@@H]([NH2+][C@H](CC(C)C)c3ccccn3)C2)cc(OC)c1 ZINC000167530006 823893080 /nfs/dbraw/zinc/89/30/80/823893080.db2.gz ZOHLPDJKFJWNHL-AUSIDOKSSA-N 1 0 383.536 4.050 20 0 GIADRO O[C@@H](COc1ccccc1Cl)C[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000167588878 823893646 /nfs/dbraw/zinc/89/36/46/823893646.db2.gz XTOWABQSHHLXKD-QGZVFWFLSA-N 1 0 384.907 4.441 20 0 GIADRO CCOc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc(N3CCCC3)c2)cc1 ZINC000126540597 823893901 /nfs/dbraw/zinc/89/39/01/823893901.db2.gz CXWLCEPHCHSTSS-ZWKOTPCHSA-N 1 0 381.520 4.363 20 0 GIADRO C[C@H](NC(=O)C[N@@H+]1CCCC2(CCOCC2)C1)c1ccc(Cl)cc1Cl ZINC000575036316 823896180 /nfs/dbraw/zinc/89/61/80/823896180.db2.gz KZHPYYSZEOJYLN-AWEZNQCLSA-N 1 0 385.335 4.063 20 0 GIADRO C[C@H](NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000167862120 823896928 /nfs/dbraw/zinc/89/69/28/823896928.db2.gz ZQNIBQDWINICLE-HOTGVXAUSA-N 1 0 392.540 4.009 20 0 GIADRO CSCC[C@H]([NH2+][C@@H]1C[C@H](OC(C)(C)C)C1(C)C)c1nnc2ccccn21 ZINC000414061954 823898427 /nfs/dbraw/zinc/89/84/27/823898427.db2.gz KTFMMUAQXAPGJN-XHSDSOJGSA-N 1 0 376.570 4.095 20 0 GIADRO COc1ccc(C[C@@H]([NH2+][C@@H](C)c2cc3n(n2)CCC3)c2ccccc2)cc1OC ZINC000414068723 823900337 /nfs/dbraw/zinc/90/03/37/823900337.db2.gz IRIFHMSYDUYLOG-HTAPYJJXSA-N 1 0 391.515 4.481 20 0 GIADRO C[C@@H](NCC1([NH+]2CCCCC2)CCOCC1)c1csc(-c2ccccc2)n1 ZINC000414067511 823900360 /nfs/dbraw/zinc/90/03/60/823900360.db2.gz ALASGDRQBGRRTD-GOSISDBHSA-N 1 0 385.577 4.496 20 0 GIADRO CC(C)c1ccc2c(c1)[C@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)CCCO2 ZINC000126566744 823900704 /nfs/dbraw/zinc/90/07/04/823900704.db2.gz JTWNWEQMNVBQII-JOCHJYFZSA-N 1 0 396.531 4.281 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(OC(F)F)c(F)c1)c1cccc(N2CCOC2=O)c1 ZINC000168174167 823900653 /nfs/dbraw/zinc/90/06/53/823900653.db2.gz GOHRDPBABIBCRF-LBPRGKRZSA-N 1 0 380.366 4.235 20 0 GIADRO C[C@@H]([NH2+]CC1(N(C)C)CCOCC1)c1ccc2ccccc2c1OC(F)F ZINC000168266921 823901508 /nfs/dbraw/zinc/90/15/08/823901508.db2.gz GFZRRJKHBWNALY-OAHLLOKOSA-N 1 0 378.463 4.203 20 0 GIADRO CN(C)C1(C[NH2+][C@@H]2CCCc3nc(-c4ccccc4F)sc32)CCOCC1 ZINC000168303327 823902064 /nfs/dbraw/zinc/90/20/64/823902064.db2.gz WMHWHOUDCFCHHR-QGZVFWFLSA-N 1 0 389.540 4.027 20 0 GIADRO Cc1ccccc1COc1ccc([C@H](C)[NH2+]CC2(N(C)C)CCOCC2)cc1 ZINC000168288180 823902086 /nfs/dbraw/zinc/90/20/86/823902086.db2.gz IMVHDQYEYKZNDZ-FQEVSTJZSA-N 1 0 382.548 4.335 20 0 GIADRO C[C@@H]([NH2+]CC1(N(C)C)CCOCC1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000168353435 823902393 /nfs/dbraw/zinc/90/23/93/823902393.db2.gz WISDMHSLZGBFFO-GOSISDBHSA-N 1 0 386.511 4.166 20 0 GIADRO CN1CC[C@@H]([NH2+]Cc2nc(C(F)(F)F)cs2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000575067689 823903223 /nfs/dbraw/zinc/90/32/23/823903223.db2.gz CQASRNPQYZWMTK-IUODEOHRSA-N 1 0 393.837 4.489 20 0 GIADRO C[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1cccc(Br)c1 ZINC000462263373 823904799 /nfs/dbraw/zinc/90/47/99/823904799.db2.gz OGRCVXJOAJQTIK-KYNGSXCRSA-N 1 0 387.321 4.114 20 0 GIADRO COc1ccc([C@H](C)[NH2+]Cc2cc(C)ccc2OC(F)F)cc1NC(C)=O ZINC000168620241 823904866 /nfs/dbraw/zinc/90/48/66/823904866.db2.gz XBPWCSVYXGPQKS-ZDUSSCGKSA-N 1 0 378.419 4.414 20 0 GIADRO Cc1noc(-c2ccccc2)c1NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000126601992 823908913 /nfs/dbraw/zinc/90/89/13/823908913.db2.gz GVSVVMPETKCLSY-UHFFFAOYSA-N 1 0 396.466 4.385 20 0 GIADRO COc1cc(C[NH2+][C@H](C)[C@H]2COc3ccccc32)ccc1OCC(F)(F)F ZINC000169112033 823908891 /nfs/dbraw/zinc/90/88/91/823908891.db2.gz KQOXRNDYNSJMDZ-CZUORRHYSA-N 1 0 381.394 4.291 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1ccc(-c2nccs2)cc1 ZINC000462274271 823909037 /nfs/dbraw/zinc/90/90/37/823909037.db2.gz UOGZVCZBGJHRQJ-OXJNMPFZSA-N 1 0 392.528 4.452 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1ccc(-c2nccs2)cc1 ZINC000462274272 823909252 /nfs/dbraw/zinc/90/92/52/823909252.db2.gz UOGZVCZBGJHRQJ-OXQOHEQNSA-N 1 0 392.528 4.452 20 0 GIADRO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCCN(Cc2ccccc2)c2ccccc21 ZINC000169244026 823910233 /nfs/dbraw/zinc/91/02/33/823910233.db2.gz WMVHRAIYGFGQLE-FRIKZZABSA-N 1 0 389.543 4.351 20 0 GIADRO CCc1nn(C)c(CC)c1C[NH2+]Cc1ccc(OC)c(OCc2ccccc2)c1 ZINC000169281180 823910711 /nfs/dbraw/zinc/91/07/11/823910711.db2.gz NEOTVRHDMYIFJP-UHFFFAOYSA-N 1 0 393.531 4.422 20 0 GIADRO COC(=O)c1cnc([C@@H](C)NCc2ccccc2C[N@H+](C)Cc2ccco2)s1 ZINC000414113104 823912261 /nfs/dbraw/zinc/91/22/61/823912261.db2.gz KCHZJLUGCCOBQZ-OAHLLOKOSA-N 1 0 399.516 4.006 20 0 GIADRO C[C@H]([NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1)c1cc2n(n1)CCC2 ZINC000414110366 823912479 /nfs/dbraw/zinc/91/24/79/823912479.db2.gz OGGZSNBKGDYQEW-AWEZNQCLSA-N 1 0 393.362 4.451 20 0 GIADRO C[NH+](C)CCOc1ccc(-c2noc(Cc3c[nH]c4ccc(Cl)cc34)n2)cc1 ZINC000575101229 823912649 /nfs/dbraw/zinc/91/26/49/823912649.db2.gz BFNXRUWDFUFSQB-UHFFFAOYSA-N 1 0 396.878 4.403 20 0 GIADRO COc1cccc(OC)c1Oc1ccc(C[NH2+]C2CCC3(CCCO3)CC2)cn1 ZINC000575105968 823913994 /nfs/dbraw/zinc/91/39/94/823913994.db2.gz VBDBISNTDBFQMO-UHFFFAOYSA-N 1 0 398.503 4.473 20 0 GIADRO C[S@](=O)C1(C[NH2+][C@H](c2ccccc2)c2cccc(Br)c2)CC1 ZINC000414124363 823915046 /nfs/dbraw/zinc/91/50/46/823915046.db2.gz CEGRKJYBVAUICT-VGSWGCGISA-N 1 0 378.335 4.039 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCSCC2)c1)c1ccc(Cl)nc1Cl ZINC000064947259 823916518 /nfs/dbraw/zinc/91/65/18/823916518.db2.gz SEQKIOMQUZRPNC-UHFFFAOYSA-N 1 0 382.316 4.190 20 0 GIADRO CCCCS(=O)(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000064943732 823916565 /nfs/dbraw/zinc/91/65/65/823916565.db2.gz ALBVZTYKNKOCHA-UHFFFAOYSA-N 1 0 386.561 4.169 20 0 GIADRO Cc1ccc(Cl)cc1S(=O)(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000462301250 823917132 /nfs/dbraw/zinc/91/71/32/823917132.db2.gz VQTRZAHHVOXOQS-KBXCAEBGSA-N 1 0 398.981 4.071 20 0 GIADRO Cc1ccccc1C(=O)NC1CC[NH+](CCOc2cccc3ccccc32)CC1 ZINC000064952587 823917600 /nfs/dbraw/zinc/91/76/00/823917600.db2.gz OZFXZXDUZHMJAP-UHFFFAOYSA-N 1 0 388.511 4.421 20 0 GIADRO Cc1cc(C[NH2+][C@@H]2CCC(=O)Nc3ccc(F)cc32)ccc1Br ZINC000414138037 823917812 /nfs/dbraw/zinc/91/78/12/823917812.db2.gz GPLBFGLAZAEAKY-MRXNPFEDSA-N 1 0 377.257 4.460 20 0 GIADRO CC(C)(C)[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)N1CC[NH+]2CCC1CC2 ZINC000462308415 823919368 /nfs/dbraw/zinc/91/93/68/823919368.db2.gz KJWSRESFQWZPAA-GOSISDBHSA-N 1 0 397.485 4.152 20 0 GIADRO COCCOC1(C[NH2+][C@@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)CCOCC1 ZINC000414154589 823919726 /nfs/dbraw/zinc/91/97/26/823919726.db2.gz ZRKKORNTGUZCDR-UYAOXDASSA-N 1 0 381.944 4.168 20 0 GIADRO O=C(Nc1nc2ccc(Oc3ccccc3)cc2s1)[C@@H]1CCn2cncc2C1 ZINC000126652023 823919801 /nfs/dbraw/zinc/91/98/01/823919801.db2.gz LSNVZIGVXQGTSN-CQSZACIVSA-N 1 0 390.468 4.486 20 0 GIADRO CCOc1ccccc1OCC(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000170525672 823920489 /nfs/dbraw/zinc/92/04/89/823920489.db2.gz QCNPYQLFVKPLTC-UHFFFAOYSA-N 1 0 382.504 4.335 20 0 GIADRO CC(C)[N@H+](CCCc1ccncc1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000462314828 823921764 /nfs/dbraw/zinc/92/17/64/823921764.db2.gz HTAPWRSXROUJEZ-UHFFFAOYSA-N 1 0 379.426 4.382 20 0 GIADRO CC(C)[N@H+](CC(=O)N1CCO[C@@H](C)C1)Cc1ccc(-c2ccccc2F)s1 ZINC000064988163 823922225 /nfs/dbraw/zinc/92/22/25/823922225.db2.gz WVMRTDJAOZVGQE-INIZCTEOSA-N 1 0 390.524 4.012 20 0 GIADRO O=C(NC1CC[NH+](CCCOc2ccc(Cl)cc2)CC1)c1ccsc1 ZINC000064990948 823922254 /nfs/dbraw/zinc/92/22/54/823922254.db2.gz GOUIIICWKBDLAU-UHFFFAOYSA-N 1 0 378.925 4.065 20 0 GIADRO COc1ccc([C@H](CO)C[NH2+][C@@H](Cc2cccnc2)c2cccc(Cl)c2)cc1 ZINC000414184658 823924205 /nfs/dbraw/zinc/92/42/05/823924205.db2.gz ODYRRULWEMVDAE-REWPJTCUSA-N 1 0 396.918 4.393 20 0 GIADRO C[C@H]1C[C@@H](N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)c2nccn21 ZINC000414186233 823924350 /nfs/dbraw/zinc/92/43/50/823924350.db2.gz PJYRXANXZBUTGV-AIZKBTNYSA-N 1 0 390.506 4.286 20 0 GIADRO C[C@@H]([NH2+]CC1(N2CCOCC2)CCOCC1)c1cc2c(ccc3ccccc23)o1 ZINC000414182457 823924381 /nfs/dbraw/zinc/92/43/81/823924381.db2.gz MVMNAVPQFBQXRW-GOSISDBHSA-N 1 0 394.515 4.118 20 0 GIADRO COc1ccc(C[N@H+](Cc2cccc(C(=O)N(C)C)c2)[C@@H](C)C2CC2)c(OC)c1 ZINC000575151715 823924523 /nfs/dbraw/zinc/92/45/23/823924523.db2.gz PJFWISAWBDWHDV-KRWDZBQOSA-N 1 0 396.531 4.206 20 0 GIADRO CCOc1cc(C[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)ccc1O ZINC000065014692 823924771 /nfs/dbraw/zinc/92/47/71/823924771.db2.gz DYEKUDYNAOMYLW-UHFFFAOYSA-N 1 0 391.393 4.285 20 0 GIADRO CC(C)C[C@@H]1C[C@H]1[NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000414187941 823924884 /nfs/dbraw/zinc/92/48/84/823924884.db2.gz QWNLPHQRLKRDKV-MAODMQOUSA-N 1 0 393.499 4.482 20 0 GIADRO CC1(C)Oc2ccsc2[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@@H]1O ZINC000414194554 823925938 /nfs/dbraw/zinc/92/59/38/823925938.db2.gz WIPOQHJGLLTSHH-AKVSHQRBSA-N 1 0 398.572 4.106 20 0 GIADRO COCC[C@H](C)C[NH2+][C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000414196466 823925972 /nfs/dbraw/zinc/92/59/72/823925972.db2.gz JODIXAIGJXLZLA-MGPUTAFESA-N 1 0 395.952 4.095 20 0 GIADRO CC(C)(C)OC(=O)NC[C@H]1CCN(Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000170648100 823926189 /nfs/dbraw/zinc/92/61/89/823926189.db2.gz PNCXDWVSORMZNH-CQSZACIVSA-N 1 0 391.899 4.342 20 0 GIADRO Brc1cc(C[NH2+]CC2=CCCOC2)ccc1OCc1ccccc1 ZINC000575157228 823926235 /nfs/dbraw/zinc/92/62/35/823926235.db2.gz SQCXIWJXWDEGGD-UHFFFAOYSA-N 1 0 388.305 4.464 20 0 GIADRO CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@H]2Cc3cccc(OC)c3C2)cc1 ZINC000414197489 823926516 /nfs/dbraw/zinc/92/65/16/823926516.db2.gz VWEPUTQJYLCHAR-JXFKEZNVSA-N 1 0 381.520 4.387 20 0 GIADRO CC[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1sc(Cc2ccc(OC)c(OC)c2)nc1C ZINC000414200869 823927679 /nfs/dbraw/zinc/92/76/79/823927679.db2.gz DOIIUJVXFJNGJB-XYPHTWIQSA-N 1 0 390.549 4.278 20 0 GIADRO Cc1[nH]c2ccc(CNC(=O)NC[C@@H](c3ccc(F)cc3)[NH+](C)C)cc2c1C ZINC000065031953 823927831 /nfs/dbraw/zinc/92/78/31/823927831.db2.gz QDCWEZRYWVEGQT-NRFANRHFSA-N 1 0 382.483 4.026 20 0 GIADRO CN(C(=O)/C=C/c1cc(Cl)ccc1Cl)C1CC[NH+](C2CCOCC2)CC1 ZINC000065038824 823928390 /nfs/dbraw/zinc/92/83/90/823928390.db2.gz ARFNKKKOHNIBLX-GORDUTHDSA-N 1 0 397.346 4.108 20 0 GIADRO Cc1ccc(C[NH2+][C@@H](C)c2cc(S(N)(=O)=O)c(C)cc2C)c2ccccc12 ZINC000414206522 823928627 /nfs/dbraw/zinc/92/86/27/823928627.db2.gz FTQYXMFEMJFDEI-KRWDZBQOSA-N 1 0 382.529 4.263 20 0 GIADRO CCc1ccc([C@@H]([NH2+]C[C@H](C)CCOC)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000414208505 823928870 /nfs/dbraw/zinc/92/88/70/823928870.db2.gz RQBYADNHTHZMFI-VGOFRKELSA-N 1 0 389.561 4.004 20 0 GIADRO CCc1nc(C)c([C@@H](C)[NH2+]Cc2cc(Cl)cc(S(=O)(=O)CC)c2)s1 ZINC000414211455 823929602 /nfs/dbraw/zinc/92/96/02/823929602.db2.gz OQOSEUZWFJIGJD-LLVKDONJSA-N 1 0 386.970 4.312 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H]2CCSc3ccccc32)c1 ZINC000414212683 823930095 /nfs/dbraw/zinc/93/00/95/823930095.db2.gz RNBJQJONGPFRSL-QGZVFWFLSA-N 1 0 381.950 4.460 20 0 GIADRO O=C(Nc1ccc(F)c(Cl)c1)C1CC[NH+](CCCc2ccncc2)CC1 ZINC000462340394 823930817 /nfs/dbraw/zinc/93/08/17/823930817.db2.gz MCXZKINGRPYFCM-UHFFFAOYSA-N 1 0 375.875 4.157 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H](C)[C@@H]2C[C@H]2c2ccccc2)c1 ZINC000414213346 823931006 /nfs/dbraw/zinc/93/10/06/823931006.db2.gz SOACAQGUFPSYMC-UAOJZALGSA-N 1 0 377.937 4.415 20 0 GIADRO Cc1cccc(C)c1NC(=O)CCC[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000126708922 823932433 /nfs/dbraw/zinc/93/24/33/823932433.db2.gz FDYNKHWDRPCNFR-UHFFFAOYSA-N 1 0 376.504 4.340 20 0 GIADRO CC(=O)N1CC[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)c2ccccc21 ZINC000575180429 823932893 /nfs/dbraw/zinc/93/28/93/823932893.db2.gz VGYAFLMFMQNKCY-GMAHTHKFSA-N 1 0 389.543 4.271 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)N(C)CCc1ccncc1)c1ccccc1Cl ZINC000170674461 823933383 /nfs/dbraw/zinc/93/33/83/823933383.db2.gz HRNYVCAICLNDJK-HXUWFJFHSA-N 1 0 388.943 4.002 20 0 GIADRO CN(C(=O)c1csc(-c2ccoc2)n1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000126715396 823933649 /nfs/dbraw/zinc/93/36/49/823933649.db2.gz HYGHSOORMVUXQY-UHFFFAOYSA-N 1 0 397.500 4.154 20 0 GIADRO C[C@H](OC[C@@H](O)C[NH2+]C1(c2nccs2)CCCC1)c1ccc(Cl)cc1 ZINC000126714007 823933660 /nfs/dbraw/zinc/93/36/60/823933660.db2.gz YBYORPUUVSEOMQ-YOEHRIQHSA-N 1 0 380.941 4.294 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCC1)N[C@@H](c1ccccc1)[C@@H]1CCCO1 ZINC000170676708 823934695 /nfs/dbraw/zinc/93/46/95/823934695.db2.gz KPFHONZKDVVCGF-GOTSBHOMSA-N 1 0 393.531 4.002 20 0 GIADRO CCOc1ccc([C@H](CC)[NH2+]CCc2nnc3n2CCCCC3)cc1OCC ZINC000126719471 823935121 /nfs/dbraw/zinc/93/51/21/823935121.db2.gz JCFAVSVSQLQJJF-SFHVURJKSA-N 1 0 386.540 4.085 20 0 GIADRO O=C(c1cccnc1Sc1ccccc1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000126720633 823935344 /nfs/dbraw/zinc/93/53/44/823935344.db2.gz RWJMMDNJUOUXJQ-UTKZUKDTSA-N 1 0 393.556 4.322 20 0 GIADRO COc1cc([C@@H](C)[NH2+]CCc2nnc3n2CCCCC3)ccc1SC(F)F ZINC000126721336 823935513 /nfs/dbraw/zinc/93/55/13/823935513.db2.gz BROKNERJOGXLQO-CYBMUJFWSA-N 1 0 396.507 4.221 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)N[C@H](c1ccccc1)[C@@H]1CCCO1 ZINC000170679733 823935871 /nfs/dbraw/zinc/93/58/71/823935871.db2.gz WJLQVFRUVLKVNQ-XZOQPEGZSA-N 1 0 393.531 4.002 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@H]2CCCOc3c(Cl)cccc32)cn1 ZINC000414236957 823935986 /nfs/dbraw/zinc/93/59/86/823935986.db2.gz AODFRPKCBHDRLJ-ZOCIIQOWSA-N 1 0 375.900 4.138 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@H](C)CC(=O)Nc2ccc(C(C)C)cc2)cn1 ZINC000414240989 823937632 /nfs/dbraw/zinc/93/76/32/823937632.db2.gz FLYTVJBBCRYPES-HFJQGTKSSA-N 1 0 398.551 4.111 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@H](C)c2ccc(F)c(Br)c2)cn1 ZINC000414241579 823938087 /nfs/dbraw/zinc/93/80/87/823938087.db2.gz GIZMEIMGXNYUTR-UVBSCNOISA-N 1 0 396.304 4.233 20 0 GIADRO C[C@H]([NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(Cl)c2ccccc21 ZINC000462355182 823938171 /nfs/dbraw/zinc/93/81/71/823938171.db2.gz YAPPMZHSTPSHFM-LIRRHRJNSA-N 1 0 382.895 4.073 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@H](C)CCc2ccc(OC(F)F)cc2)cn1 ZINC000414243562 823938425 /nfs/dbraw/zinc/93/84/25/823938425.db2.gz JTVXHIAEUZIGRN-OXFYSEKESA-N 1 0 393.478 4.193 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@H](C)c2ccc(F)cc2Br)cn1 ZINC000414244890 823938696 /nfs/dbraw/zinc/93/86/96/823938696.db2.gz LWXHMMWHJOAQKQ-FHSNZYRGSA-N 1 0 396.304 4.233 20 0 GIADRO C[C@@H]([NH2+]CCC(C)(C)S(C)(=O)=O)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000414247298 823939610 /nfs/dbraw/zinc/93/96/10/823939610.db2.gz DNGZFTCJUNPXJK-MRXNPFEDSA-N 1 0 393.524 4.269 20 0 GIADRO Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000414246088 823939616 /nfs/dbraw/zinc/93/96/16/823939616.db2.gz RWPRQJYKOYWETC-UHFFFAOYSA-N 1 0 378.495 4.074 20 0 GIADRO Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)CCCO2 ZINC000126743366 823940158 /nfs/dbraw/zinc/94/01/58/823940158.db2.gz RMALYXMUOYSJGG-FQEVSTJZSA-N 1 0 386.923 4.396 20 0 GIADRO FC(F)(F)c1ccnc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)n1 ZINC000414247718 823940396 /nfs/dbraw/zinc/94/03/96/823940396.db2.gz OUMGFWVYOBBNQQ-KSZLIROESA-N 1 0 390.453 4.028 20 0 GIADRO OCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000575213840 823940781 /nfs/dbraw/zinc/94/07/81/823940781.db2.gz NIENKZAUGYQFIK-ULFGMLNVSA-N 1 0 377.326 4.449 20 0 GIADRO CC[C@@H](c1cccc(OC)c1)[N@H+](C)C[C@@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000575213498 823941238 /nfs/dbraw/zinc/94/12/38/823941238.db2.gz FJTOEAHSWYECEL-KNQAVFIVSA-N 1 0 381.520 4.106 20 0 GIADRO CC(C)(CC[NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000414252503 823941597 /nfs/dbraw/zinc/94/15/97/823941597.db2.gz HSSKRYXDSDCRAV-HZPDHXFCSA-N 1 0 377.472 4.144 20 0 GIADRO CC(C)(CC[NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000414252500 823941739 /nfs/dbraw/zinc/94/17/39/823941739.db2.gz HSSKRYXDSDCRAV-HOTGVXAUSA-N 1 0 377.472 4.144 20 0 GIADRO O=C1c2ccccc2N[C@@]2(CCC[N@H+](Cc3ccccc3)C2)N1Cc1cccnc1 ZINC000126758816 823943657 /nfs/dbraw/zinc/94/36/57/823943657.db2.gz WIIQXDYCBNLHPL-VWLOTQADSA-N 1 0 398.510 4.142 20 0 GIADRO Cn1cc([C@@H]2OCC[C@H]2C[NH2+][C@@H](Cc2cccnc2)c2ccc(Cl)cc2)cn1 ZINC000414267687 823946522 /nfs/dbraw/zinc/94/65/22/823946522.db2.gz JEIMZGQSGLVRKH-YUXAGFNASA-N 1 0 396.922 4.120 20 0 GIADRO O=C([C@H]1CCC[N@H+](Cc2ccccc2)C1)N(Cc1ccco1)c1ccccn1 ZINC000170703678 823947303 /nfs/dbraw/zinc/94/73/03/823947303.db2.gz OITHGSXMAXFGOM-FQEVSTJZSA-N 1 0 375.472 4.120 20 0 GIADRO CC1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3C[C@H]3c3cccc(O)c3)cc2)CC1 ZINC000575229243 823947458 /nfs/dbraw/zinc/94/74/58/823947458.db2.gz GKGDUCKOALOPRU-XZOQPEGZSA-N 1 0 378.516 4.044 20 0 GIADRO CC(C)(CC[NH2+][C@@H](Cc1cccc(F)c1)c1cccc(F)c1)S(C)(=O)=O ZINC000414269319 823947601 /nfs/dbraw/zinc/94/76/01/823947601.db2.gz UKIMREARKMLTBS-IBGZPJMESA-N 1 0 381.488 4.052 20 0 GIADRO CCc1ccc(C(=O)CCC(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cc1 ZINC000065140994 823950330 /nfs/dbraw/zinc/95/03/30/823950330.db2.gz MEPCYKVUMTWQNK-GCJKJVERSA-N 1 0 378.516 4.164 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CSc2ccc(F)c(F)c2)C1 ZINC000065140714 823950392 /nfs/dbraw/zinc/95/03/92/823950392.db2.gz SAUZWVMNIWXDLI-ZBFHGGJFSA-N 1 0 376.472 4.009 20 0 GIADRO Cc1ccc(SCC(F)(F)F)c(NC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)c1 ZINC000575243686 823950666 /nfs/dbraw/zinc/95/06/66/823950666.db2.gz YYUUVTUZCDWFAA-CQSZACIVSA-N 1 0 398.454 4.023 20 0 GIADRO Cc1nc(-c2ccc([C@H](C)[NH2+]Cc3ccc(S(C)(=O)=O)s3)cc2)cs1 ZINC000414283253 823950925 /nfs/dbraw/zinc/95/09/25/823950925.db2.gz OVNWPQZTLQLEJK-LBPRGKRZSA-N 1 0 392.571 4.434 20 0 GIADRO COc1cc([C@H](C)[NH2+]Cc2cn(-c3cccc(F)c3)nc2C)cc(OC)c1OC ZINC000414283517 823951106 /nfs/dbraw/zinc/95/11/06/823951106.db2.gz JIWUTSWKJOPQOK-AWEZNQCLSA-N 1 0 399.466 4.196 20 0 GIADRO CC(C)(C)C[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)c1ccccc1 ZINC000414284450 823951402 /nfs/dbraw/zinc/95/14/02/823951402.db2.gz KPPMTAGSELBTOR-KRWDZBQOSA-N 1 0 380.941 4.255 20 0 GIADRO COc1cccc(N2CC[C@H](C[NH2+]Cc3nc(C(C)C)n4ccccc34)C2)c1 ZINC000575310629 823951649 /nfs/dbraw/zinc/95/16/49/823951649.db2.gz CBJYYPBZNCUPLB-GOSISDBHSA-N 1 0 378.520 4.082 20 0 GIADRO Cc1sc2nc(C)nc(SCc3nc(C4([NH3+])CCCC4)no3)c2c1C ZINC000575311366 823952505 /nfs/dbraw/zinc/95/25/05/823952505.db2.gz CIZMFAPVUVQEAO-UHFFFAOYSA-N 1 0 375.523 4.020 20 0 GIADRO COc1ccccc1-c1nc(C2CC[NH+](CCOc3cccc(F)c3)CC2)no1 ZINC000192342416 823953446 /nfs/dbraw/zinc/95/34/46/823953446.db2.gz DNWBQGAVUVSFNX-UHFFFAOYSA-N 1 0 397.450 4.143 20 0 GIADRO COc1ccccc1-c1nc(C2CC[NH+](CCOc3ccccc3)CC2)no1 ZINC000192342362 823953497 /nfs/dbraw/zinc/95/34/97/823953497.db2.gz PZNHMXXTVHMBAW-UHFFFAOYSA-N 1 0 379.460 4.004 20 0 GIADRO COc1ccccc1-c1nc(C2CC[NH+](CCOc3ccccc3C)CC2)no1 ZINC000192342563 823953626 /nfs/dbraw/zinc/95/36/26/823953626.db2.gz XNAIEZQGIIPIPE-UHFFFAOYSA-N 1 0 393.487 4.312 20 0 GIADRO CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000575324966 823955641 /nfs/dbraw/zinc/95/56/41/823955641.db2.gz DWVGDRQOARJTRB-PBHICJAKSA-N 1 0 389.341 4.146 20 0 GIADRO COCCCC[N@H+](CC(=O)N[C@@H]1CCCc2ccccc21)Cc1ccccc1 ZINC000065165917 823956488 /nfs/dbraw/zinc/95/64/88/823956488.db2.gz PENJGRVBBQFTSP-HSZRJFAPSA-N 1 0 380.532 4.109 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCCc2c(O)cccc21)C(=O)Nc1ccccc1C(F)(F)F ZINC000192352684 823956862 /nfs/dbraw/zinc/95/68/62/823956862.db2.gz UCZPUCIEDAJLCV-WBMJQRKESA-N 1 0 378.394 4.405 20 0 GIADRO CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000192360465 823958994 /nfs/dbraw/zinc/95/89/94/823958994.db2.gz HHSJAAITTUEVIK-SCLBCKFNSA-N 1 0 392.455 4.335 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000414338317 823960700 /nfs/dbraw/zinc/96/07/00/823960700.db2.gz FBKSNJHOJJYBPI-MGPUTAFESA-N 1 0 382.483 4.039 20 0 GIADRO C[C@H]([NH2+][C@H]1CCN(c2ccc(F)cc2)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000414338323 823960705 /nfs/dbraw/zinc/96/07/05/823960705.db2.gz FBKSNJHOJJYBPI-YWZLYKJASA-N 1 0 382.483 4.039 20 0 GIADRO CCN(C(=O)C[NH2+][C@H]1CCCc2c(O)cccc21)c1nc2ccccc2s1 ZINC000192368352 823961038 /nfs/dbraw/zinc/96/10/38/823961038.db2.gz CGLPRLIWHRHPDD-INIZCTEOSA-N 1 0 381.501 4.022 20 0 GIADRO OC[C@@H]1CCC[C@H]([NH2+][C@H](c2ccc(Br)o2)c2ccc(F)cc2)C1 ZINC000414348090 823962395 /nfs/dbraw/zinc/96/23/95/823962395.db2.gz WPHUXXKYDMATHG-MRAWALMUSA-N 1 0 382.273 4.411 20 0 GIADRO COc1cc(F)c(NC(=O)N[C@H]2c3ccccc3CC[C@H]2n2ccnc2)cc1F ZINC000126835220 823962610 /nfs/dbraw/zinc/96/26/10/823962610.db2.gz BDCUYIRIGXQGFA-QUCCMNQESA-N 1 0 398.413 4.220 20 0 GIADRO Cc1ccnc([C@H](C)[NH2+]C2CCN(Cc3cccc(Br)c3)CC2)c1 ZINC000414349549 823962930 /nfs/dbraw/zinc/96/29/30/823962930.db2.gz KGDVIIFWRJNFJH-INIZCTEOSA-N 1 0 388.353 4.468 20 0 GIADRO CNC(=O)c1cccc(C[NH2+][C@](C)(c2ccc(Br)cc2)C(C)C)c1 ZINC000192373518 823963662 /nfs/dbraw/zinc/96/36/62/823963662.db2.gz BGXMCBMHBVMXLD-FQEVSTJZSA-N 1 0 389.337 4.470 20 0 GIADRO CCC(CC)(CNCc1ccc(S(C)(=O)=O)s1)[NH2+][C@@H](C)c1ccccc1 ZINC000414357694 823964359 /nfs/dbraw/zinc/96/43/59/823964359.db2.gz JYSIKLBBUHWDKX-INIZCTEOSA-N 1 0 394.606 4.151 20 0 GIADRO Cc1cccc(-c2nc(CC(=O)N3CCC([NH2+]C4CCCC4)CC3)cs2)c1 ZINC000126846154 823964751 /nfs/dbraw/zinc/96/47/51/823964751.db2.gz QEFSLTPJHQWSJI-UHFFFAOYSA-N 1 0 383.561 4.184 20 0 GIADRO Cc1nn(-c2cccc(F)c2)cc1C[NH2+]CCc1nc(C(F)(F)F)cs1 ZINC000414359192 823964826 /nfs/dbraw/zinc/96/48/26/823964826.db2.gz NNUKYMYOLXYBJM-UHFFFAOYSA-N 1 0 384.402 4.127 20 0 GIADRO C[C@@H](CC[NH2+]Cc1ccc(S(C)(=O)=O)s1)c1cccc(C(F)(F)F)c1 ZINC000414359533 823964876 /nfs/dbraw/zinc/96/48/76/823964876.db2.gz DXYWETSYLUBUAU-LBPRGKRZSA-N 1 0 391.480 4.454 20 0 GIADRO 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 823966326 /nfs/dbraw/zinc/96/63/26/823966326.db2.gz PCZPUQCZLVECHK-BCACQPSKSA-N 1 0 392.971 4.289 20 0 GIADRO 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 823966377 /nfs/dbraw/zinc/96/63/77/823966377.db2.gz PCZPUQCZLVECHK-MQCNIWAOSA-N 1 0 392.971 4.289 20 0 GIADRO O=C(c1ccccc1)c1ccccc1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000126854672 823967171 /nfs/dbraw/zinc/96/71/71/823967171.db2.gz ONGRQEPYCVUPIG-XXBNENTESA-N 1 0 388.511 4.007 20 0 GIADRO Cc1nc(C(F)(F)F)sc1C(=O)N[C@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000462423956 823969844 /nfs/dbraw/zinc/96/98/44/823969844.db2.gz ZQGHKOAWSYNWOB-BXUZGUMPSA-N 1 0 385.455 4.200 20 0 GIADRO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2ccc(OC)c(Cn3cccn3)c2)cn1 ZINC000126870328 823971001 /nfs/dbraw/zinc/97/10/01/823971001.db2.gz JRXOAROVISMOLK-SFHVURJKSA-N 1 0 393.535 4.032 20 0 GIADRO COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)[NH2+]Cc1csc(Cc2ccccc2)n1 ZINC000575441426 823971313 /nfs/dbraw/zinc/97/13/13/823971313.db2.gz AZDCISCHBQCBTF-UTKZUKDTSA-N 1 0 394.540 4.244 20 0 GIADRO C[N@H+](CC(=O)NCc1ccccc1)[C@@H](c1ccc(Cl)cc1)C1CCOCC1 ZINC000575445441 823971979 /nfs/dbraw/zinc/97/19/79/823971979.db2.gz YBVUMWIHFMHZTL-QFIPXVFZSA-N 1 0 386.923 4.056 20 0 GIADRO C[C@@H](c1ccncc1)N(C)C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000126881799 823973174 /nfs/dbraw/zinc/97/31/74/823973174.db2.gz ZONIMDOZCCEQFD-HKUYNNGSSA-N 1 0 386.565 4.319 20 0 GIADRO C[C@H](CC(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C)c1ccc(F)c(Br)c1 ZINC000462434878 823974159 /nfs/dbraw/zinc/97/41/59/823974159.db2.gz GBNZWWPXQZZAPT-IIAWOOMASA-N 1 0 397.332 4.167 20 0 GIADRO O=C([C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000170812183 823977992 /nfs/dbraw/zinc/97/79/92/823977992.db2.gz VPYIMNFHQPEEHI-DLBZAZTESA-N 1 0 381.347 4.431 20 0 GIADRO Cc1nn2c(C[N@H+](C[C@H](C)c3ccccc3)[C@@H](C)CO)c(C(C)C)nc2s1 ZINC000575600550 823978669 /nfs/dbraw/zinc/97/86/69/823978669.db2.gz VTVPFIRZVSAZAB-HOTGVXAUSA-N 1 0 386.565 4.209 20 0 GIADRO CCC(CC)Nc1cc[nH+]cc1NC(=O)c1cccc(NC(=O)c2ccco2)c1 ZINC000575604527 823978703 /nfs/dbraw/zinc/97/87/03/823978703.db2.gz WPLGUHQLDUSMEJ-UHFFFAOYSA-N 1 0 392.459 4.202 20 0 GIADRO O=C(CC[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1)Nc1cc(Cl)ccc1Cl ZINC000575621914 823979117 /nfs/dbraw/zinc/97/91/17/823979117.db2.gz ARUONGYMHBIHFX-AEFFLSMTSA-N 1 0 383.319 4.356 20 0 GIADRO COCc1ccc(CNc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)o1 ZINC000126913326 823979252 /nfs/dbraw/zinc/97/92/52/823979252.db2.gz DJMDAQPGAZSQGQ-UHFFFAOYSA-N 1 0 385.508 4.243 20 0 GIADRO O[C@@H](CO[C@H]1CCCc2ccccc21)C[NH+]1CCC(OC2CCCCC2)CC1 ZINC000126915349 823979633 /nfs/dbraw/zinc/97/96/33/823979633.db2.gz KUZYQTPOVNWYJB-YKSBVNFPSA-N 1 0 387.564 4.255 20 0 GIADRO O=C(Nc1cc(C(F)(F)F)ccn1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000192420046 823982405 /nfs/dbraw/zinc/98/24/05/823982405.db2.gz NEPMNILOJVIPOT-UHFFFAOYSA-N 1 0 384.446 4.220 20 0 GIADRO CC[NH+](CC)[C@H](C(=O)N(C)Cc1cccc(C)n1)c1cccc(C(F)(F)F)c1 ZINC000575736309 823983663 /nfs/dbraw/zinc/98/36/63/823983663.db2.gz QYQSTXHHPMTOLH-IBGZPJMESA-N 1 0 393.453 4.450 20 0 GIADRO Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000414430813 823983920 /nfs/dbraw/zinc/98/39/20/823983920.db2.gz MQEBMVAQKJXHLL-NRFANRHFSA-N 1 0 375.451 4.117 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)Nc1cc(C(F)(F)F)ccn1 ZINC000192422621 823984863 /nfs/dbraw/zinc/98/48/63/823984863.db2.gz WFWZCDJJKGCSKU-CQSZACIVSA-N 1 0 382.386 4.042 20 0 GIADRO CS(=O)(=O)c1ccc(C[NH2+]CC2(c3ccc(F)cc3F)CCCC2)s1 ZINC000414440576 823985990 /nfs/dbraw/zinc/98/59/90/823985990.db2.gz YPGZXWKDJYANMA-UHFFFAOYSA-N 1 0 385.501 4.031 20 0 GIADRO Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C1(Cc2ccccc2)CCOCC1 ZINC000414455361 823988670 /nfs/dbraw/zinc/98/86/70/823988670.db2.gz FMRAPKYSRXAONF-UHFFFAOYSA-N 1 0 379.479 4.201 20 0 GIADRO COc1ccccc1COC[C@H](O)C[N@H+](CC(C)C)[C@@H]1CCCc2cccnc21 ZINC000126957498 823989393 /nfs/dbraw/zinc/98/93/93/823989393.db2.gz XPBNQPWXQUNMOL-FGZHOGPDSA-N 1 0 398.547 4.003 20 0 GIADRO Cc1cc(NS(=O)(=O)Cc2ccccc2C(F)(F)F)ccc1C[NH+](C)C ZINC000414463065 823989509 /nfs/dbraw/zinc/98/95/09/823989509.db2.gz JCKGYRXNIYXHLA-UHFFFAOYSA-N 1 0 386.439 4.017 20 0 GIADRO COc1cc(C[NH2+][C@H]2CCOC3(CCOCC3)C2)c(-c2ccccc2)cc1OC ZINC000575771592 823991062 /nfs/dbraw/zinc/99/10/62/823991062.db2.gz IHQYELPALDYHLW-FQEVSTJZSA-N 1 0 397.515 4.189 20 0 GIADRO FC[C@@H]1C[N@H+](Cc2cnc(-c3ccc(Br)cc3)s2)CCCO1 ZINC000414474085 823991186 /nfs/dbraw/zinc/99/11/86/823991186.db2.gz CMXVFZRKKLLKEZ-CQSZACIVSA-N 1 0 385.302 4.133 20 0 GIADRO COc1cc(C[N@@H+]2CCCc3c(cnn3C)C2)c(-c2ccccc2)cc1OC ZINC000414471269 823991474 /nfs/dbraw/zinc/99/14/74/823991474.db2.gz LBODVGFZBPIFBQ-UHFFFAOYSA-N 1 0 377.488 4.053 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1cc2ccc(Cl)cc2[nH]1 ZINC000126979087 823993523 /nfs/dbraw/zinc/99/35/23/823993523.db2.gz LKOAUUMABZBQGQ-UHFFFAOYSA-N 1 0 397.906 4.278 20 0 GIADRO COC(=O)C1CCC([NH2+][C@H](C)c2ccc(OCc3ccncc3)c(OC)c2)CC1 ZINC000192439612 823993605 /nfs/dbraw/zinc/99/36/05/823993605.db2.gz PQGMWTQMSFAWJR-PPDQVPDSSA-N 1 0 398.503 4.052 20 0 GIADRO 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C[C@H](C[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000414550015 824009082 /nfs/dbraw/zinc/00/90/82/824009082.db2.gz ISONTDGFYKUCOZ-GCJKJVERSA-N 1 0 399.556 4.047 20 0 GIADRO CC[C@H]([NH2+]CC(=O)Nc1cc(OC)c(Cl)cc1OC)c1ccc(C)cc1 ZINC000192490621 824009507 /nfs/dbraw/zinc/00/95/07/824009507.db2.gz HZPJOVZHSOXCJW-INIZCTEOSA-N 1 0 376.884 4.345 20 0 GIADRO CC(C)(C[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1)c1cccnc1 ZINC000414550551 824009557 /nfs/dbraw/zinc/00/95/57/824009557.db2.gz ABWZTJCWUVJTJG-UHFFFAOYSA-N 1 0 376.291 4.037 20 0 GIADRO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2cnc(-c3c(F)cccc3F)s2)CC1 ZINC000414552061 824010135 /nfs/dbraw/zinc/01/01/35/824010135.db2.gz PIXZYTXPOVYFJW-AWEZNQCLSA-N 1 0 391.487 4.065 20 0 GIADRO CN(C)c1cc(Cl)cc(Cl)c1C[N@@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000414552195 824010204 /nfs/dbraw/zinc/01/02/04/824010204.db2.gz PXCVHFMMTKOYMC-HNNXBMFYSA-N 1 0 384.351 4.036 20 0 GIADRO O=C(CCc1cccs1)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000170945073 824010637 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OC[C@H]1CCC[C@@H]([NH2+]Cc2csc(-c3cccc(Br)c3)n2)C1 ZINC000414576086 824014854 /nfs/dbraw/zinc/01/48/54/824014854.db2.gz NUIAEXLFZUBWSM-SWLSCSKDSA-N 1 0 381.339 4.213 20 0 GIADRO O[C@@H](C[NH2+]Cc1nc(C2CC2)cs1)COC(c1ccccc1)c1ccccc1 ZINC000575862263 824014785 /nfs/dbraw/zinc/01/47/85/824014785.db2.gz ZTIQFCIBTJWVQG-FQEVSTJZSA-N 1 0 394.540 4.277 20 0 GIADRO CC(C)C[N@H+](CCC(=O)N1CCc2sccc2C1)[C@H]1CCCc2cccnc21 ZINC000127092363 824015988 /nfs/dbraw/zinc/01/59/88/824015988.db2.gz UJCCVBNEDUYIEK-FQEVSTJZSA-N 1 0 397.588 4.454 20 0 GIADRO CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)c1 ZINC000127099034 824017014 /nfs/dbraw/zinc/01/70/14/824017014.db2.gz YSNJPVCFTRIYAO-UHFFFAOYSA-N 1 0 398.894 4.067 20 0 GIADRO Cc1cccc(COc2cccc(C(=O)N3CC[C@H](C[NH+]4CCCC4)C3)c2)c1 ZINC000127102601 824017757 /nfs/dbraw/zinc/01/77/57/824017757.db2.gz RTWMLYUZNMBCRK-OAQYLSRUSA-N 1 0 378.516 4.132 20 0 GIADRO Cn1nccc1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 ZINC000127106463 824018645 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1 0 381.520 4.111 20 0 GIADRO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000414686727 824023506 /nfs/dbraw/zinc/02/35/06/824023506.db2.gz AYCXRMDBWASISW-HXUWFJFHSA-N 1 0 399.510 4.167 20 0 GIADRO COc1ccc([C@H](CNC(=O)C2(C(F)(F)F)CCCC2)[NH+]2CCCC2)cc1 ZINC000414701366 824024700 /nfs/dbraw/zinc/02/47/00/824024700.db2.gz GYDJQHLNRKVAJD-KRWDZBQOSA-N 1 0 384.442 4.071 20 0 GIADRO Cc1ccc(NC(=O)N[C@@H](CCC[NH3+])c2ccccc2)c(Br)c1 ZINC000414702634 824025134 /nfs/dbraw/zinc/02/51/34/824025134.db2.gz VAWLRSTYWBZGEU-INIZCTEOSA-N 1 0 376.298 4.359 20 0 GIADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)C1 ZINC000414712687 824025665 /nfs/dbraw/zinc/02/56/65/824025665.db2.gz NVXOYXVIVFYDSK-NXEZZACHSA-N 1 0 394.235 4.059 20 0 GIADRO COc1cccc(OC)c1OCCCC[NH+]1CCC(c2ccc(C)nc2)CC1 ZINC000575906960 824025901 /nfs/dbraw/zinc/02/59/01/824025901.db2.gz INVZQVITDPFQRP-UHFFFAOYSA-N 1 0 384.520 4.446 20 0 GIADRO Cc1csc([C@H](C)[NH2+]C[C@H](O)COc2ccc(Oc3ccccc3)cc2)n1 ZINC000575906628 824026026 /nfs/dbraw/zinc/02/60/26/824026026.db2.gz JFSRPFIHOXFQLY-IRXDYDNUSA-N 1 0 384.501 4.334 20 0 GIADRO O=C(Nc1ccc(Br)cc1Cl)N1CCC([NH2+]CC2CC2)CC1 ZINC000414719492 824026626 /nfs/dbraw/zinc/02/66/26/824026626.db2.gz VNINXRYSFXZHGL-UHFFFAOYSA-N 1 0 386.721 4.098 20 0 GIADRO O=C(c1cc2ccccc2c(Cl)n1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000192543781 824026777 /nfs/dbraw/zinc/02/67/77/824026777.db2.gz NNGMFKDCISEFFC-UHFFFAOYSA-N 1 0 379.891 4.236 20 0 GIADRO Cc1ccc(Oc2ccccc2NC(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000414729740 824029118 /nfs/dbraw/zinc/02/91/18/824029118.db2.gz RGRVVNOCTFOCOJ-SFHVURJKSA-N 1 0 395.503 4.007 20 0 GIADRO Cc1noc2nc(-c3ccccc3)cc(-c3nc(C4([NH3+])CCCCC4)no3)c12 ZINC000575915499 824029268 /nfs/dbraw/zinc/02/92/68/824029268.db2.gz ZUQUQTCGUBVSLA-UHFFFAOYSA-N 1 0 375.432 4.366 20 0 GIADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 ZINC000414733901 824029994 /nfs/dbraw/zinc/02/99/94/824029994.db2.gz KKVFYFOVMXHVMP-WBMJQRKESA-N 1 0 378.929 4.121 20 0 GIADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000414735966 824030752 /nfs/dbraw/zinc/03/07/52/824030752.db2.gz CLPAPQQIQKSVRY-WDEREUQCSA-N 1 0 384.427 4.030 20 0 GIADRO [NH3+]CC[C@H]1CCCN(C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)C1 ZINC000414735887 824030770 /nfs/dbraw/zinc/03/07/70/824030770.db2.gz XPFGHOQQOHWCCH-QGZVFWFLSA-N 1 0 394.544 4.480 20 0 GIADRO C[NH2+]C[C@@H]1CCN(C(=O)Nc2cc(Cl)ccc2Oc2ccc(OC)cc2)C1 ZINC000414738845 824031102 /nfs/dbraw/zinc/03/11/02/824031102.db2.gz ZJTZVGWPBUTZNY-AWEZNQCLSA-N 1 0 389.883 4.214 20 0 GIADRO C[NH2+]C[C@H]1CCN(C(=O)Nc2cc(Cl)ccc2Oc2ccc(OC)cc2)C1 ZINC000414738850 824031170 /nfs/dbraw/zinc/03/11/70/824031170.db2.gz ZJTZVGWPBUTZNY-CQSZACIVSA-N 1 0 389.883 4.214 20 0 GIADRO CN(C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1)[C@@H](C[NH3+])C1CC1 ZINC000414743858 824031990 /nfs/dbraw/zinc/03/19/90/824031990.db2.gz VGUWKZLSNRNHTL-AWEZNQCLSA-N 1 0 399.347 4.242 20 0 GIADRO CC(C)CC[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2)c1ccc(Cl)cc1 ZINC000414746716 824032279 /nfs/dbraw/zinc/03/22/79/824032279.db2.gz ZJNRGFYWGZFRPW-HXUWFJFHSA-N 1 0 399.922 4.175 20 0 GIADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)C1 ZINC000414745534 824032379 /nfs/dbraw/zinc/03/23/79/824032379.db2.gz KXNOTKPHSBLVSD-JQWIXIFHSA-N 1 0 384.427 4.030 20 0 GIADRO CCN(CC)C(=O)c1cccc(NC(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)c1 ZINC000414750610 824032817 /nfs/dbraw/zinc/03/28/17/824032817.db2.gz MBEYJTGVEWGLLY-NRFANRHFSA-N 1 0 396.535 4.114 20 0 GIADRO CCCN(C(=O)NCc1nc(C)cs1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000171005898 824034436 /nfs/dbraw/zinc/03/44/36/824034436.db2.gz IOUSNPZYFSOGIX-LJQANCHMSA-N 1 0 386.565 4.038 20 0 GIADRO CCc1ccccc1[C@H]([NH3+])CNC(=O)Nc1ccccc1OCC(F)(F)F ZINC000414767032 824034652 /nfs/dbraw/zinc/03/46/52/824034652.db2.gz JDFVUEDUEBBCTD-OAHLLOKOSA-N 1 0 381.398 4.012 20 0 GIADRO [NH3+]C[C@H](NC(=O)Nc1cccc(NC(=O)c2cccs2)c1)C1CCCCC1 ZINC000414768899 824034693 /nfs/dbraw/zinc/03/46/93/824034693.db2.gz IZCUOXQUOCBFFD-KRWDZBQOSA-N 1 0 386.521 4.030 20 0 GIADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)Nc1cc(Cl)ccc1OCC(F)(F)F ZINC000414785182 824036111 /nfs/dbraw/zinc/03/61/11/824036111.db2.gz JECFNGPLTYGMTL-MFKMUULPSA-N 1 0 379.810 4.015 20 0 GIADRO [NH3+]CC1CCN(C(=O)Nc2ccc(OC(F)F)c(Cc3ccccc3)c2)CC1 ZINC000414789348 824036610 /nfs/dbraw/zinc/03/66/10/824036610.db2.gz OIXMYXMYTDYWJO-UHFFFAOYSA-N 1 0 389.446 4.081 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1)C(=O)N1CCc2sccc2C1 ZINC000192581351 824037570 /nfs/dbraw/zinc/03/75/70/824037570.db2.gz ZZIUGLMEIUDGOR-QWHCGFSZSA-N 1 0 393.350 4.135 20 0 GIADRO COc1ccc(Cl)cc1[C@H](CC(C)C)NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000192582581 824037877 /nfs/dbraw/zinc/03/78/77/824037877.db2.gz QHAPEUVVIBCKTP-IBGZPJMESA-N 1 0 378.944 4.426 20 0 GIADRO CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000171016981 824038177 /nfs/dbraw/zinc/03/81/77/824038177.db2.gz BBOSDWFQIPPADW-FQEVSTJZSA-N 1 0 397.567 4.166 20 0 GIADRO CC(C)Sc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000414810487 824038430 /nfs/dbraw/zinc/03/84/30/824038430.db2.gz XBVGYFMXIFQLHJ-GJZGRUSLSA-N 1 0 385.533 4.023 20 0 GIADRO CC[C@H](C(=O)N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1)[N@H+](C)Cc1ccccc1 ZINC000575961954 824039111 /nfs/dbraw/zinc/03/91/11/824039111.db2.gz SJZBBEXFIBORHQ-BHDDXSALSA-N 1 0 384.495 4.073 20 0 GIADRO CC(C)(C)OC(=O)N1CCCN(C(=O)C2CC[NH+](C3CC3)CC2)c2ccccc21 ZINC000192595243 824040976 /nfs/dbraw/zinc/04/09/76/824040976.db2.gz OHVHMEZDDRSXQT-UHFFFAOYSA-N 1 0 399.535 4.039 20 0 GIADRO O=C(CC[NH2+][C@@H](c1ccccc1)c1ccc(OC(F)F)cc1)N1CCCCC1 ZINC000192596671 824041251 /nfs/dbraw/zinc/04/12/51/824041251.db2.gz WRENMFNIXQHTEJ-NRFANRHFSA-N 1 0 388.458 4.370 20 0 GIADRO CCCCN(C(=O)C(=O)Nc1cccc(C[NH2+]C)c1)[C@@H](CC)c1ccccc1 ZINC000414844720 824041365 /nfs/dbraw/zinc/04/13/65/824041365.db2.gz FANXHEKHIYUIGC-NRFANRHFSA-N 1 0 381.520 4.125 20 0 GIADRO CN(C)c1ccc(NC(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)c(C(F)(F)F)c1 ZINC000414844008 824041374 /nfs/dbraw/zinc/04/13/74/824041374.db2.gz DCRWWMFVHXBFBH-KRWDZBQOSA-N 1 0 398.473 4.013 20 0 GIADRO CC[NH2+]CC1CCN(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2C)CC1 ZINC000414853328 824042106 /nfs/dbraw/zinc/04/21/06/824042106.db2.gz RZLWPVQGYIJFNN-UHFFFAOYSA-N 1 0 397.567 4.332 20 0 GIADRO O=C(NCC(F)(F)c1ccc(Cl)cc1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000575976551 824042870 /nfs/dbraw/zinc/04/28/70/824042870.db2.gz NWQIPNKHRCDRKG-KDOFPFPSSA-N 1 0 397.897 4.090 20 0 GIADRO Cc1c(Cl)cccc1C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000192601468 824043137 /nfs/dbraw/zinc/04/31/37/824043137.db2.gz XJFMNMSJYYSKEW-GOSISDBHSA-N 1 0 399.922 4.067 20 0 GIADRO COc1ccccc1NC(=O)C1CC[NH+](Cc2ccc(OC(C)C)cc2)CC1 ZINC000171031980 824043269 /nfs/dbraw/zinc/04/32/69/824043269.db2.gz XULACCQGAXUIFJ-UHFFFAOYSA-N 1 0 382.504 4.333 20 0 GIADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NCc2cnc(-c3ccccc3)s2)cc1 ZINC000414884920 824044913 /nfs/dbraw/zinc/04/49/13/824044913.db2.gz OKPDKRHIBGRWFC-SFTDATJTSA-N 1 0 379.529 4.054 20 0 GIADRO COc1ccc(NC(=O)N[C@@H](CCC[NH3+])c2ccccc2)c(C(F)(F)F)c1 ZINC000414883468 824044919 /nfs/dbraw/zinc/04/49/19/824044919.db2.gz ALFUASGZVLBYCK-INIZCTEOSA-N 1 0 381.398 4.316 20 0 GIADRO Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000414884735 824045010 /nfs/dbraw/zinc/04/50/10/824045010.db2.gz OCEKEGVJMWFGEI-NRFANRHFSA-N 1 0 394.519 4.276 20 0 GIADRO Cc1ccc(NC(=O)C(C)C)cc1NC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000414886848 824045451 /nfs/dbraw/zinc/04/54/51/824045451.db2.gz QPHHTQPNMXRFBQ-IBGZPJMESA-N 1 0 382.508 4.191 20 0 GIADRO CCCCN(C(=O)C(=O)Nc1ccccc1C[NH2+]CC)[C@@H](C)c1ccccc1 ZINC000414886702 824045559 /nfs/dbraw/zinc/04/55/59/824045559.db2.gz QJHKCBRZRLTGRL-SFHVURJKSA-N 1 0 381.520 4.125 20 0 GIADRO Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2NCc2csc(COc3ccccc3)n2)cc1 ZINC000414896388 824047143 /nfs/dbraw/zinc/04/71/43/824047143.db2.gz OZQHYCRSFHNVJJ-SFTDATJTSA-N 1 0 397.519 4.097 20 0 GIADRO Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)NCc1ccc2c[nH+]cn2c1 ZINC000576002719 824047885 /nfs/dbraw/zinc/04/78/85/824047885.db2.gz DEUPKPWYKLVGOX-KRWDZBQOSA-N 1 0 376.382 4.136 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N1CC[C@](F)(c2ccccc2)C1 ZINC000576005551 824048356 /nfs/dbraw/zinc/04/83/56/824048356.db2.gz YMYOGDLNFSWYJE-DENIHFKCSA-N 1 0 385.483 4.087 20 0 GIADRO COc1cc(C[NH2+][C@@H]2CCCc3cc(N)ccc32)ccc1OCC(F)(F)F ZINC000414925927 824050916 /nfs/dbraw/zinc/05/09/16/824050916.db2.gz KLAUQWWCUUSMEH-QGZVFWFLSA-N 1 0 380.410 4.386 20 0 GIADRO CCc1ccccc1NC(=O)C[C@H](C)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000414936763 824051906 /nfs/dbraw/zinc/05/19/06/824051906.db2.gz HAMFSUJETSMXDQ-GAJHUEQPSA-N 1 0 375.516 4.409 20 0 GIADRO Cc1ccc(NC(=O)C[C@H](C)N[C@H](C[NH3+])c2ccc3ccccc3c2)c(C)c1 ZINC000414941210 824052394 /nfs/dbraw/zinc/05/23/94/824052394.db2.gz LBSWTKZCOSSBOC-FDDCHVKYSA-N 1 0 375.516 4.463 20 0 GIADRO COc1ccc(Br)c(C[NH+]2CCC(CCCn3ccnc3)CC2)c1 ZINC000576029522 824053890 /nfs/dbraw/zinc/05/38/90/824053890.db2.gz PIRHOERVRKOSTP-UHFFFAOYSA-N 1 0 392.341 4.347 20 0 GIADRO Cc1ccccc1[C@@H]([NH2+][C@@H]1CCCc2ccc(S(N)(=O)=O)cc21)C(C)(C)C ZINC000576032283 824054408 /nfs/dbraw/zinc/05/44/08/824054408.db2.gz DPBLQCOJMNCRRS-NHCUHLMSSA-N 1 0 386.561 4.397 20 0 GIADRO CCCC[C@@H](C[NH3+])NC(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1 ZINC000414966241 824055319 /nfs/dbraw/zinc/05/53/19/824055319.db2.gz OIBZLTVRGRNDHM-INIZCTEOSA-N 1 0 394.947 4.042 20 0 GIADRO CC[N@@H+]1CCC[C@@H](CN(C)[C@@H](C)c2ncc(C(C)(C)C)o2)[C@@H]1c1cnn(C)c1 ZINC000328637780 209151100 /nfs/dbraw/zinc/15/11/00/209151100.db2.gz OURGVUMSSGYMDD-ABSDTBQOSA-N 1 0 387.572 4.172 20 0 GIADRO COc1cc(C(=O)NC[C@@H](C)C[NH+]2CCCC2)cc(Cl)c1OCCC(C)C ZINC000108297118 211445938 /nfs/dbraw/zinc/44/59/38/211445938.db2.gz DATNRUTVZROWSZ-MRXNPFEDSA-N 1 0 396.959 4.235 20 0 GIADRO COc1cccc(C[NH+]2CCC3(CCN(C(=O)c4ccsc4)CC3)CC2)c1 ZINC000096089574 211300742 /nfs/dbraw/zinc/30/07/42/211300742.db2.gz FSUOOLCCOMRBLK-UHFFFAOYSA-N 1 0 384.545 4.275 20 0 GIADRO CCc1c(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)[nH]c(C)c1C(C)=O ZINC000071959562 211066453 /nfs/dbraw/zinc/06/64/53/211066453.db2.gz LHDYLKBDTHSQER-INIZCTEOSA-N 1 0 395.547 4.250 20 0 GIADRO Cc1ccc(CNC(=O)CNc2ccccc2C[N@@H+](C)C2CCCCC2)cc1 ZINC000021892235 210399292 /nfs/dbraw/zinc/39/92/92/210399292.db2.gz PXIYSAQLBWMZNO-UHFFFAOYSA-N 1 0 379.548 4.488 20 0 GIADRO [NH3+]CC1(F)CCN(C(F)(F)Oc2ccc(-c3ccnc(Cl)c3)cc2)CC1 ZINC001164391705 718812997 /nfs/dbraw/zinc/81/29/97/718812997.db2.gz HNYAGGCLRNMFHJ-UHFFFAOYSA-N 1 0 385.817 4.094 20 0 GIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3c4ccccc4C(=O)[C@@H]3C2)nc1 ZINC001164408763 718849123 /nfs/dbraw/zinc/84/91/23/718849123.db2.gz SVPCGAUOUMFQAX-YPAWHYETSA-N 1 0 375.516 4.435 20 0 GIADRO Fc1cc(C(F)(F)N2[C@H](C(F)(F)F)CCC23CC[NH2+]CC3)cnc1Cl ZINC001164413717 718880227 /nfs/dbraw/zinc/88/02/27/718880227.db2.gz LEIOCUZFVGGGGR-NSHDSACASA-N 1 0 387.755 4.072 20 0 GIADRO Fc1cnc(Cl)cc1C(F)(F)N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001164415028 718880641 /nfs/dbraw/zinc/88/06/41/718880641.db2.gz ZCJUHYTYQQFKFB-NSHDSACASA-N 1 0 387.755 4.072 20 0 GIADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(C)c4cccc(C)c4n3)CC2)CC1 ZINC001164613818 719022102 /nfs/dbraw/zinc/02/21/02/719022102.db2.gz GBGPHWBMFASSJT-UHFFFAOYSA-N 1 0 395.547 4.096 20 0 GIADRO Clc1nnc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c2ccccc12 ZINC001164622713 719060830 /nfs/dbraw/zinc/06/08/30/719060830.db2.gz IQFLDJZTVGLLKS-PXNSSMCTSA-N 1 0 378.907 4.384 20 0 GIADRO CC(C)(C)OC(=O)c1ccnc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001164621044 719060979 /nfs/dbraw/zinc/06/09/79/719060979.db2.gz GMPBNJILWTWMKT-SFTDATJTSA-N 1 0 393.531 4.138 20 0 GIADRO Clc1ccc2ncnc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)c2c1 ZINC001164620497 719064020 /nfs/dbraw/zinc/06/40/20/719064020.db2.gz FNMYZPCGEFPAII-UTKZUKDTSA-N 1 0 378.907 4.384 20 0 GIADRO Clc1cnc2nc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)ccc2c1 ZINC001164620411 719075177 /nfs/dbraw/zinc/07/51/77/719075177.db2.gz DTSRKVOFHKLQIT-QUCCMNQESA-N 1 0 378.907 4.384 20 0 GIADRO c1csc(-c2cc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)ncn2)c1 ZINC001164623423 719101251 /nfs/dbraw/zinc/10/12/51/719101251.db2.gz CZBCVQIALOXRTM-ICSRJNTNSA-N 1 0 376.529 4.306 20 0 GIADRO Fc1cccc(-c2ccc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)nn2)c1 ZINC001164632532 719103051 /nfs/dbraw/zinc/10/30/51/719103051.db2.gz ZQZNIDJWYKCPHE-REWPJTCUSA-N 1 0 388.490 4.384 20 0 GIADRO c1ccc(C[N@@H+]2C[C@H]3CCCN(c4nccnc4Oc4ccccc4)[C@H]3C2)cc1 ZINC001164621810 719105630 /nfs/dbraw/zinc/10/56/30/719105630.db2.gz AXQWJUMABOLIMD-IRLDBZIGSA-N 1 0 386.499 4.370 20 0 GIADRO [NH3+]C1([C@H]2CN(C(F)(F)c3cc(Cl)c(Cl)nc3Cl)C[C@H]2CF)CC1 ZINC001164622439 719121394 /nfs/dbraw/zinc/12/13/94/719121394.db2.gz OVWXRVMNXRGBMQ-APPZFPTMSA-N 1 0 388.648 4.100 20 0 GIADRO CC(C)C[NH+]1CCN(C(F)(F)c2cc(-c3cccs3)nnc2Cl)CC1 ZINC001164657254 719337928 /nfs/dbraw/zinc/33/79/28/719337928.db2.gz GAXYCTZJSQPJOH-UHFFFAOYSA-N 1 0 386.899 4.181 20 0 GIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(C)cc4cccnc42)CC3)cs1 ZINC001164692173 719815106 /nfs/dbraw/zinc/81/51/06/719815106.db2.gz MQZDLORMSBDBMS-UHFFFAOYSA-N 1 0 393.560 4.338 20 0 GIADRO CCSc1ccnc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1 ZINC001164707374 719902554 /nfs/dbraw/zinc/90/25/54/719902554.db2.gz QWTYMRNWNZVBMG-UHFFFAOYSA-N 1 0 389.590 4.127 20 0 GIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(Cl)nc3sccc31)C2 ZINC001164805878 720099186 /nfs/dbraw/zinc/09/91/86/720099186.db2.gz AIKSNUJEJUNNDE-MGPUTAFESA-N 1 0 391.968 4.134 20 0 GIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nccc3ccc(Cl)cc31)C2 ZINC001164806440 720099784 /nfs/dbraw/zinc/09/97/84/720099784.db2.gz CTUCJTWVFGELMA-XMSQKQJNSA-N 1 0 385.939 4.073 20 0 GIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc3cccc(Cl)c3n1)C2 ZINC001164806955 720100239 /nfs/dbraw/zinc/10/02/39/720100239.db2.gz ABYSBUIPWDOCBN-GCJKJVERSA-N 1 0 385.939 4.073 20 0 GIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nccc3cccc(Cl)c31)C2 ZINC001164814467 720121401 /nfs/dbraw/zinc/12/14/01/720121401.db2.gz SZQXCMGCBAMLBQ-PGRDOPGGSA-N 1 0 385.939 4.073 20 0 GIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)cc3cccc(C)c31)C2 ZINC001164813039 720194430 /nfs/dbraw/zinc/19/44/30/720194430.db2.gz BZDZVXBGDDRUPN-WMZHIEFXSA-N 1 0 399.966 4.381 20 0 GIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)cc3cccc(C)c31)C2 ZINC001164813038 720195422 /nfs/dbraw/zinc/19/54/22/720195422.db2.gz BZDZVXBGDDRUPN-CVDCTZTESA-N 1 0 399.966 4.381 20 0 GIADRO Clc1ccc(-c2ccc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)nn2)cc1 ZINC001164727696 720345026 /nfs/dbraw/zinc/34/50/26/720345026.db2.gz UFSWJNTURBKRSK-RTWAWAEBSA-N 1 0 391.906 4.045 20 0 GIADRO Cc1ccc2c(c1)nc(Cl)cc2N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164726508 720397854 /nfs/dbraw/zinc/39/78/54/720397854.db2.gz OZWPVTBWJATUQZ-UXHICEINSA-N 1 0 378.907 4.445 20 0 GIADRO Cc1c(Cl)ccc2ccc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)nc21 ZINC001164735413 720420254 /nfs/dbraw/zinc/42/02/54/720420254.db2.gz XGJVOCJJYQYCDM-PMACEKPBSA-N 1 0 378.907 4.445 20 0 GIADRO Clc1cccc(-c2cc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)ncn2)c1 ZINC001164733929 720450121 /nfs/dbraw/zinc/45/01/21/720450121.db2.gz QTDGJKCRYKUUIC-SFTDATJTSA-N 1 0 391.906 4.045 20 0 GIADRO CC(C)c1nc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)cc(C(C)(C)C)n1 ZINC001164729324 720455429 /nfs/dbraw/zinc/45/54/29/720455429.db2.gz GYOCSDGEVYTWOO-RBUKOAKNSA-N 1 0 379.552 4.146 20 0 GIADRO Cc1cccc2c1ccnc2N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164838521 720548056 /nfs/dbraw/zinc/54/80/56/720548056.db2.gz OGXWREKRIWFRHZ-SXWKCWPCSA-N 1 0 389.547 4.118 20 0 GIADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nccc3ccccc31)CC2 ZINC001164844262 720666431 /nfs/dbraw/zinc/66/64/31/720666431.db2.gz ZQXLCILUAYIJOX-JOCHJYFZSA-N 1 0 387.527 4.495 20 0 GIADRO CC(C)c1cc2c(ncnc2N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)s1 ZINC001164854598 720920706 /nfs/dbraw/zinc/92/07/06/720920706.db2.gz FYLXIRMFRRKKOS-OAHLLOKOSA-N 1 0 398.580 4.433 20 0 GIADRO Cc1ccc2nc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@@H]3C)c(Cl)nc2c1 ZINC001164860477 720955687 /nfs/dbraw/zinc/95/56/87/720955687.db2.gz QBEIDGHVTLIKHI-HNNXBMFYSA-N 1 0 398.942 4.210 20 0 GIADRO Cc1nc2cc(Cl)ccc2c(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)n1 ZINC001164856134 720963399 /nfs/dbraw/zinc/96/33/99/720963399.db2.gz AVZXPPQFIPXKBJ-AWEZNQCLSA-N 1 0 398.942 4.210 20 0 GIADRO Cc1nc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)c(Cl)cc1Cl ZINC001164856270 720993038 /nfs/dbraw/zinc/99/30/38/720993038.db2.gz AMEKOLDWBOYPGC-CYBMUJFWSA-N 1 0 382.339 4.315 20 0 GIADRO Cc1ccc(C[NH+]2CCC3(CCN(c4ncnc5c4ccn5C)CC3)CC2)cc1 ZINC001164760444 721042806 /nfs/dbraw/zinc/04/28/06/721042806.db2.gz UVGTWGOONPQBAA-UHFFFAOYSA-N 1 0 389.547 4.159 20 0 GIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3[C@H](CCN3C(=O)C(C)C)C2)nc1 ZINC001164888197 721467122 /nfs/dbraw/zinc/46/71/22/721467122.db2.gz FDQYJQNXWJNIIQ-VSKRKVRLSA-N 1 0 398.595 4.102 20 0 GIADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncc3cc(F)ccc3n1)CC2 ZINC001164795023 721498782 /nfs/dbraw/zinc/49/87/82/721498782.db2.gz AQVVTIWZZLPCRP-UHFFFAOYSA-N 1 0 391.494 4.045 20 0 GIADRO COc1ccnc(Cl)c1N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001164795069 721502281 /nfs/dbraw/zinc/50/22/81/721502281.db2.gz COOCYRBIXUKDEW-UHFFFAOYSA-N 1 0 386.927 4.020 20 0 GIADRO F[C@H](Oc1cccc(Cl)n1)N1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001165015948 721767448 /nfs/dbraw/zinc/76/74/48/721767448.db2.gz UCPGFZASQJKICZ-FQEVSTJZSA-N 1 0 398.825 4.374 20 0 GIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc4[nH]ccc4cc3Cl)C[C@@H]21 ZINC001165028176 721816749 /nfs/dbraw/zinc/81/67/49/721816749.db2.gz WMGILWNXFZUBKS-XKGZKEIXSA-N 1 0 395.938 4.300 20 0 GIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(-c4ccncc4)cn3)C[C@@H]21 ZINC001165023170 721822685 /nfs/dbraw/zinc/82/26/85/721822685.db2.gz HXULKUQBXKLULK-OEMFJLHTSA-N 1 0 399.542 4.276 20 0 GIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cnc(-c4ccccc4)cn3)C[C@H]21 ZINC001165024647 721823432 /nfs/dbraw/zinc/82/34/32/721823432.db2.gz KVEWGNQBAPFHDQ-KIFXHHALSA-N 1 0 399.542 4.276 20 0 GIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cnc(-c4ccccc4)cn3)C[C@@H]21 ZINC001165024650 721823488 /nfs/dbraw/zinc/82/34/88/721823488.db2.gz KVEWGNQBAPFHDQ-ODGPQVTHSA-N 1 0 399.542 4.276 20 0 GIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc3ccccc3cn2)CC1 ZINC001165019255 721838893 /nfs/dbraw/zinc/83/88/93/721838893.db2.gz BPWNSYDIWXCXSD-UHFFFAOYSA-N 1 0 391.515 4.353 20 0 GIADRO FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1CC[NH+](C2CCCC2)CC1 ZINC001165028098 721857454 /nfs/dbraw/zinc/85/74/54/721857454.db2.gz JKMLRSXPUBVRTB-UHFFFAOYSA-N 1 0 392.881 4.407 20 0 GIADRO CC[NH+](CC)C1CCN(C(F)(F)c2nc(Cl)c3cc(F)ccc3n2)CC1 ZINC001165052737 722002567 /nfs/dbraw/zinc/00/25/67/722002567.db2.gz DUMSQVKXLKIAQG-UHFFFAOYSA-N 1 0 386.849 4.278 20 0 GIADRO CCc1c(Cl)nnc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1CC ZINC001164952981 722018316 /nfs/dbraw/zinc/01/83/16/722018316.db2.gz QDJXZLHIKVKRBC-UHFFFAOYSA-N 1 0 399.970 4.142 20 0 GIADRO C[N@H+](Cc1ccc(N2CCC[C@]3(C[C@H](OCC4CCCC4)CO3)C2)nc1)C1CC1 ZINC001164976086 722165679 /nfs/dbraw/zinc/16/56/79/722165679.db2.gz JOIRGHCJOLLRRT-UPVQGACJSA-N 1 0 399.579 4.011 20 0 GIADRO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2ncnc4cc(F)ccc42)C3)c1 ZINC001164993283 722193578 /nfs/dbraw/zinc/19/35/78/722193578.db2.gz FFEQKJCAGXPTRH-JOCHJYFZSA-N 1 0 380.442 4.153 20 0 GIADRO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2ncc4cc(F)ccc4n2)C3)c1 ZINC001164996671 722205468 /nfs/dbraw/zinc/20/54/68/722205468.db2.gz VCPCQGLYHBTVRW-JOCHJYFZSA-N 1 0 380.442 4.153 20 0 GIADRO COc1nc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)ccc1Cl ZINC001164995986 722205833 /nfs/dbraw/zinc/20/58/33/722205833.db2.gz RCYXYVVETOUWBP-HXUWFJFHSA-N 1 0 375.875 4.128 20 0 GIADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2ccc4ncc(F)cc4n2)C3)c1 ZINC001164994516 722206717 /nfs/dbraw/zinc/20/67/17/722206717.db2.gz IFUWZRDOVHIXIZ-JOCHJYFZSA-N 1 0 380.442 4.153 20 0 GIADRO Cc1ccccc1[C@H](CC(C)C)[NH2+][C@@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000570490352 823045641 /nfs/dbraw/zinc/04/56/41/823045641.db2.gz SASZNFQRUBGUDZ-YADHBBJMSA-N 1 0 386.561 4.397 20 0 GIADRO C[C@@H]([NH2+]CCOc1ncc(Cl)cc1Cl)c1ccc(Br)cn1 ZINC000570497770 823046630 /nfs/dbraw/zinc/04/66/30/823046630.db2.gz UPRFFFZJZZRRLL-SECBINFHSA-N 1 0 391.096 4.276 20 0 GIADRO C[NH+]1CCC(C)(CNC(=O)NCc2nc(-c3cc4ccccc4o3)cs2)CC1 ZINC000570498694 823046739 /nfs/dbraw/zinc/04/67/39/823046739.db2.gz DJEGFIQRVHBQEY-UHFFFAOYSA-N 1 0 398.532 4.087 20 0 GIADRO COc1cccc([C@H]2C[C@H](N(C)C(=O)NCCC[NH+](C(C)C)C(C)C)C2)c1 ZINC000458497366 823047561 /nfs/dbraw/zinc/04/75/61/823047561.db2.gz JVAVECDWSGLISZ-MXVIHJGJSA-N 1 0 375.557 4.092 20 0 GIADRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+]Cc1cnc(C2CC2)s1 ZINC000570519130 823049048 /nfs/dbraw/zinc/04/90/48/823049048.db2.gz ZUTFLEPINGOYIM-ZDUSSCGKSA-N 1 0 395.366 4.032 20 0 GIADRO O=C(CC[N@H+]1CCC[C@H]1C[C@H](O)c1cccs1)Nc1ccc(Cl)cc1F ZINC000175830099 823049912 /nfs/dbraw/zinc/04/99/12/823049912.db2.gz IIMCDHAICYWZBY-YOEHRIQHSA-N 1 0 396.915 4.457 20 0 GIADRO CN1C(=O)CCc2cc(C[NH2+]C[C@H](O)c3ccc(-c4ccccc4)cc3)ccc21 ZINC000187364438 823050277 /nfs/dbraw/zinc/05/02/77/823050277.db2.gz GSYYRCBESAJBAO-DEOSSOPVSA-N 1 0 386.495 4.086 20 0 GIADRO CN(C(=O)c1ccc(NC(=O)c2coc(C[NH3+])c2)cc1Cl)C1CCCCC1 ZINC000187363827 823050329 /nfs/dbraw/zinc/05/03/29/823050329.db2.gz QQPCICRKUWNAIL-UHFFFAOYSA-N 1 0 389.883 4.049 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000187365517 823050501 /nfs/dbraw/zinc/05/05/01/823050501.db2.gz CWLGTQSZJAADRF-UHFFFAOYSA-N 1 0 389.499 4.072 20 0 GIADRO CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@@H](C)C2CCSCC2)cc1 ZINC000187366517 823050550 /nfs/dbraw/zinc/05/05/50/823050550.db2.gz AVWBMAASPPIWBW-IRXDYDNUSA-N 1 0 378.582 4.164 20 0 GIADRO CC(C)[C@@H]([NH2+][C@H](C)C1CCS(=O)(=O)CC1)c1ccc(C(F)(F)F)cc1 ZINC000187386899 823054065 /nfs/dbraw/zinc/05/40/65/823054065.db2.gz YDLLZOLEHQNBGJ-CXAGYDPISA-N 1 0 377.472 4.205 20 0 GIADRO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@@H](C(F)(F)F)C1(C)C)[NH+](C)C ZINC000570541238 823051557 /nfs/dbraw/zinc/05/15/57/823051557.db2.gz MLJMARSOINRZHI-UAGQMJEPSA-N 1 0 385.474 4.359 20 0 GIADRO C[C@@H]([NH2+]CC1(CS(C)(=O)=O)CC1)c1ccc(-c2c(F)cccc2F)cc1 ZINC000570556384 823054125 /nfs/dbraw/zinc/05/41/25/823054125.db2.gz DWBFJKQVWHFGPD-CQSZACIVSA-N 1 0 379.472 4.107 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCC([C@@H]4CCCO4)CC3)cc2)C1 ZINC000187375932 823052267 /nfs/dbraw/zinc/05/22/67/823052267.db2.gz FSXXTCBXKAQDFE-XXBNENTESA-N 1 0 399.579 4.019 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)CCOc3cccc(C)c3)C2)s1 ZINC000570553121 823053347 /nfs/dbraw/zinc/05/33/47/823053347.db2.gz IICMFXVTPMZIFF-LJQANCHMSA-N 1 0 386.561 4.114 20 0 GIADRO Cn1c(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cccs2)nc2cc(Cl)ccc21 ZINC000175846279 823053779 /nfs/dbraw/zinc/05/37/79/823053779.db2.gz ONHNLBRJHFGGTQ-YOEHRIQHSA-N 1 0 375.925 4.376 20 0 GIADRO CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CC[C@@H](OCC)[C@H](C)C2)c1 ZINC000458545350 823053763 /nfs/dbraw/zinc/05/37/63/823053763.db2.gz PMKKLEWNYHEQHW-DENIHFKCSA-N 1 0 389.584 4.265 20 0 GIADRO O=C(C[C@@H]1CCC[N@H+](C[C@@H]2CCC3(CCCC3)O2)C1)NCc1ccc(F)cc1 ZINC000570567109 823055653 /nfs/dbraw/zinc/05/56/53/823055653.db2.gz RCPFYWRQNVOSIK-FPOVZHCZSA-N 1 0 388.527 4.036 20 0 GIADRO CC(C)(C)OC(=O)N1CCC(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cccs2)CC1 ZINC000175851959 823055781 /nfs/dbraw/zinc/05/57/81/823055781.db2.gz GGLHCWDHAMJACF-ROUUACIJSA-N 1 0 394.581 4.283 20 0 GIADRO O=C(NCC[C@H]1CC[NH2+]C1)c1c(F)cccc1Sc1ccc(Cl)cc1 ZINC000570570082 823055817 /nfs/dbraw/zinc/05/58/17/823055817.db2.gz LHDQOSQWBGFAOL-CYBMUJFWSA-N 1 0 378.900 4.360 20 0 GIADRO COc1ccc([C@@H](C[NH3+])CN(Cc2cccc(C)c2)Cc2ccccn2)cc1 ZINC000570573057 823056138 /nfs/dbraw/zinc/05/61/38/823056138.db2.gz FZDLVXRMCXOKNV-QFIPXVFZSA-N 1 0 375.516 4.143 20 0 GIADRO COc1ccccc1NC(=O)C[N@@H+]1CCCCC[C@H]1C[C@H](O)c1cccs1 ZINC000175864869 823058701 /nfs/dbraw/zinc/05/87/01/823058701.db2.gz FIBVAEUREQBKKS-WMZOPIPTSA-N 1 0 388.533 4.064 20 0 GIADRO Cc1cc2occ(CC(=O)NCCC[NH2+]Cc3cccnc3)c2cc1C(C)C ZINC000120749641 823056762 /nfs/dbraw/zinc/05/67/62/823056762.db2.gz PGIQTRWAHHDJSU-UHFFFAOYSA-N 1 0 379.504 4.098 20 0 GIADRO Cc1cc2c(cc1C)[C@H]([NH2+]C[C@H]1CC(=O)N(Cc3ccccc3)C1)CCS2 ZINC000187404713 823056891 /nfs/dbraw/zinc/05/68/91/823056891.db2.gz RSUPEPJGIOEVOL-TZIWHRDSSA-N 1 0 380.557 4.479 20 0 GIADRO CC1CC[NH+](C2CCC(NC(=O)N3CC(C)(C)[C@H]3c3ccncc3)CC2)CC1 ZINC000458566286 823057172 /nfs/dbraw/zinc/05/71/72/823057172.db2.gz JIRANRGJUDLXQN-XVAXZDLZSA-N 1 0 384.568 4.217 20 0 GIADRO O[C@@H](C[C@H]1CCCCC[N@@H+]1Cc1ccc(-n2ccnc2)nc1)c1cccs1 ZINC000175862610 823057939 /nfs/dbraw/zinc/05/79/39/823057939.db2.gz DPOZQSBNRZOTOB-MOPGFXCFSA-N 1 0 382.533 4.197 20 0 GIADRO COCc1cc([C@H](C)[NH2+]C[C@H](c2c(F)cccc2F)N(C)C)ccc1OC ZINC000120756523 823058107 /nfs/dbraw/zinc/05/81/07/823058107.db2.gz WXZXXFAOQNIXOT-IFXJQAMLSA-N 1 0 378.463 4.073 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C1CCS(=O)(=O)CC1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000187414203 823058955 /nfs/dbraw/zinc/05/89/55/823058955.db2.gz UPDMSUPDGAYDHM-MCIONIFRSA-N 1 0 377.472 4.000 20 0 GIADRO C[C@H]([NH2+][C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)C1CCS(=O)(=O)CC1 ZINC000187416898 823059415 /nfs/dbraw/zinc/05/94/15/823059415.db2.gz BFCXZIFJZOTGML-XCRHUMRWSA-N 1 0 389.483 4.144 20 0 GIADRO CSC(C)(C)C[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000187418687 823059792 /nfs/dbraw/zinc/05/97/92/823059792.db2.gz GEGGNRDKOKOQTF-UHFFFAOYSA-N 1 0 382.165 4.025 20 0 GIADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CC(c3ccc(Cl)cc3)C2)CC1 ZINC000458586124 823059811 /nfs/dbraw/zinc/05/98/11/823059811.db2.gz VGCJTMYXZQAJPL-MRXNPFEDSA-N 1 0 398.938 4.069 20 0 GIADRO Brc1cc(Br)cc(C[NH2+][C@H]2CCOC3(CCC3)C2)c1 ZINC000570599121 823060089 /nfs/dbraw/zinc/06/00/89/823060089.db2.gz OCFFJVPLHOTAFO-AWEZNQCLSA-N 1 0 389.131 4.403 20 0 GIADRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CC[C@@H]1CCOC1 ZINC000175870122 823060114 /nfs/dbraw/zinc/06/01/14/823060114.db2.gz BNJXJRKPANILMC-OAHLLOKOSA-N 1 0 387.351 4.090 20 0 GIADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)N[C@@H](c3cccc(C(F)(F)F)c3)C3CC3)C2)C1 ZINC000458591490 823060628 /nfs/dbraw/zinc/06/06/28/823060628.db2.gz CYKMPCZKZORLMS-UYAOXDASSA-N 1 0 395.469 4.284 20 0 GIADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N(C)Cc1ccccc1-c1ccccc1 ZINC000175873072 823060894 /nfs/dbraw/zinc/06/08/94/823060894.db2.gz OGIRCSAFNJKEDA-QHCPKHFHSA-N 1 0 380.532 4.105 20 0 GIADRO CSc1cccc(N(C(=O)[C@@H]2OCCc3ccccc32)C2CC[NH+](C)CC2)c1 ZINC000120771506 823060921 /nfs/dbraw/zinc/06/09/21/823060921.db2.gz DEMJNCGBPHTNPI-JOCHJYFZSA-N 1 0 396.556 4.150 20 0 GIADRO Cc1cccc(NC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)c1Br ZINC000120774444 823061438 /nfs/dbraw/zinc/06/14/38/823061438.db2.gz KUKLBPQGHKTWDY-UHFFFAOYSA-N 1 0 394.288 4.280 20 0 GIADRO COc1cc(-c2nnc(C[NH2+][C@H]3CCC(C)(C)C[C@H]3C)o2)cc(OC)c1OC ZINC000120776900 823061703 /nfs/dbraw/zinc/06/17/03/823061703.db2.gz BFMNHRCDUOEIKB-HIFRSBDPSA-N 1 0 389.496 4.067 20 0 GIADRO Cc1cnc([C@H](NC(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)C2CC2)s1 ZINC000175885050 823063454 /nfs/dbraw/zinc/06/34/54/823063454.db2.gz XOAKLLUWRSJKMA-IEBWSBKVSA-N 1 0 390.597 4.056 20 0 GIADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)c1ccc2c(C)cc(=O)[nH]c2c1 ZINC000570622198 823063636 /nfs/dbraw/zinc/06/36/36/823063636.db2.gz ZPPATTXBLFPYPE-UHFFFAOYSA-N 1 0 397.544 4.295 20 0 GIADRO C[N@@H+]1CC[C@H](CNC(=O)N2CC(C(C)(C)C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000458613646 823063687 /nfs/dbraw/zinc/06/36/87/823063687.db2.gz JDZUUPZLIQRVPT-RDTXWAMCSA-N 1 0 381.923 4.159 20 0 GIADRO CC(C)Oc1cccc([C@H](NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C(F)F)c1 ZINC000570623599 823063842 /nfs/dbraw/zinc/06/38/42/823063842.db2.gz YCAMHNFMEGZLDJ-HKBOAZHASA-N 1 0 396.522 4.138 20 0 GIADRO COc1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2OC(C)C)CC1 ZINC000055902382 823064275 /nfs/dbraw/zinc/06/42/75/823064275.db2.gz XEJNQRANIYFCJD-UHFFFAOYSA-N 1 0 382.504 4.333 20 0 GIADRO CC(C)(CCCO)CNC(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000570630081 823064346 /nfs/dbraw/zinc/06/43/46/823064346.db2.gz JOFDTGAAQNZUAP-UHFFFAOYSA-N 1 0 393.597 4.185 20 0 GIADRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)cc1[N+](=O)[O-] ZINC000187443636 823064913 /nfs/dbraw/zinc/06/49/13/823064913.db2.gz ZEHJBLOCFSKFEI-PIGZYNQJSA-N 1 0 397.244 4.189 20 0 GIADRO Cc1cccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1Br ZINC000120792478 823065143 /nfs/dbraw/zinc/06/51/43/823065143.db2.gz CRIWAXZOLVGTKD-WMLDXEAASA-N 1 0 392.341 4.238 20 0 GIADRO C[N@@H+]1CC[C@@H](CNC(=O)NC2(C3(C)CC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000458629271 823066526 /nfs/dbraw/zinc/06/65/26/823066526.db2.gz WSUOCSXBAOCTMW-YOEHRIQHSA-N 1 0 379.907 4.104 20 0 GIADRO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000055934441 823068236 /nfs/dbraw/zinc/06/82/36/823068236.db2.gz JMGUGKXHTVCLAT-INIZCTEOSA-N 1 0 395.975 4.038 20 0 GIADRO Cc1nc(CSc2ccc(C(=O)NC[C@@H](C)[NH+]3CCCCC3)cc2)cs1 ZINC000055934672 823068340 /nfs/dbraw/zinc/06/83/40/823068340.db2.gz HRCJPJRHKBYFCB-OAHLLOKOSA-N 1 0 389.590 4.348 20 0 GIADRO CC(C)(C)CC[NH+]1CCN(CC(=O)N[C@@H](c2cccs2)c2ccccc2)CC1 ZINC000055934811 823068411 /nfs/dbraw/zinc/06/84/11/823068411.db2.gz YVRJJVNJXQCDFB-JOCHJYFZSA-N 1 0 399.604 4.008 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(OCC(F)(F)F)c(C)c2)[C@H](C)C1 ZINC000120819443 823070621 /nfs/dbraw/zinc/07/06/21/823070621.db2.gz YOSGVRHKULZKCQ-ZBFHGGJFSA-N 1 0 387.446 4.130 20 0 GIADRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N(C)Cc1ccc(Cl)nc1 ZINC000187476419 823070868 /nfs/dbraw/zinc/07/08/68/823070868.db2.gz VFENQPMKSIRMAT-LJQANCHMSA-N 1 0 388.943 4.033 20 0 GIADRO CC(C)(C)[C@H](NC(=O)NC1CC[NH+](Cc2ccncc2)CC1)c1cccc(F)c1 ZINC000175912999 823071173 /nfs/dbraw/zinc/07/11/73/823071173.db2.gz QPUTYBIFPXLBJF-OAQYLSRUSA-N 1 0 398.526 4.272 20 0 GIADRO CC(C)c1ccccc1NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000120827735 823072502 /nfs/dbraw/zinc/07/25/02/823072502.db2.gz UZWASFWSANNXMA-HXUWFJFHSA-N 1 0 381.520 4.088 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)Nc2ccc3ncsc3c2)CC1 ZINC000175921309 823073227 /nfs/dbraw/zinc/07/32/27/823073227.db2.gz UHACHKCWWIOCCT-UHFFFAOYSA-N 1 0 380.517 4.425 20 0 GIADRO Clc1ccc(-c2ncc(C[NH+]3CCC(O[C@H]4CCOC4)CC3)s2)cc1 ZINC000570700124 823073265 /nfs/dbraw/zinc/07/32/65/823073265.db2.gz UBJHICFJGJBFBM-KRWDZBQOSA-N 1 0 378.925 4.233 20 0 GIADRO CC[C@H](C[C@@H](C)CO)[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000570703238 823073881 /nfs/dbraw/zinc/07/38/81/823073881.db2.gz OUOCFBVUZVKBRI-QMTHXVAHSA-N 1 0 379.136 4.098 20 0 GIADRO C[C@@H](NC(=O)N1CC(c2cccc(Cl)c2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000458683443 823073971 /nfs/dbraw/zinc/07/39/71/823073971.db2.gz OZILREIKBKQAEP-YLJYHZDGSA-N 1 0 397.950 4.359 20 0 GIADRO CC(C)[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(F)cc1F ZINC000120836960 823074114 /nfs/dbraw/zinc/07/41/14/823074114.db2.gz FIGOLWMWTSLUHV-VBKZILBWSA-N 1 0 396.503 4.263 20 0 GIADRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccsc1)c1cc2cccc(F)c2o1 ZINC000458686973 823074175 /nfs/dbraw/zinc/07/41/75/823074175.db2.gz IMEJONCUKGWOEE-CQSZACIVSA-N 1 0 389.496 4.468 20 0 GIADRO Cc1ccc(NC(=O)[C@H]2CCN(c3ccc(C(C)C)cc3)C2=O)c(C[NH+](C)C)c1 ZINC000120851480 823076439 /nfs/dbraw/zinc/07/64/39/823076439.db2.gz BNKHMQWDSMGFRV-OAQYLSRUSA-N 1 0 393.531 4.172 20 0 GIADRO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]Cc1ccc(C(C)(C)O)cc1 ZINC000187508084 823077365 /nfs/dbraw/zinc/07/73/65/823077365.db2.gz OLPWLDPGKYBACF-UHFFFAOYSA-N 1 0 377.532 4.374 20 0 GIADRO CC1(C)OCc2cc(C[N@@H+]3CCC[C@@H](n4ccc(C(F)(F)F)n4)C3)ccc2O1 ZINC000187514191 823078597 /nfs/dbraw/zinc/07/85/97/823078597.db2.gz BYPIIEDWOKRFTD-MRXNPFEDSA-N 1 0 395.425 4.384 20 0 GIADRO C[C@H]1CCCC[C@]1(C)NC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000458726878 823078748 /nfs/dbraw/zinc/07/87/48/823078748.db2.gz DBZDOXZAZYOTBY-CUGJKRCDSA-N 1 0 375.479 4.060 20 0 GIADRO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc3c(c2)COC(C)(C)O3)c2ccc(F)cc2C1 ZINC000187525786 823081594 /nfs/dbraw/zinc/08/15/94/823081594.db2.gz NTJUGIBVBWZNDI-OAQYLSRUSA-N 1 0 398.478 4.054 20 0 GIADRO C[C@@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]Cc1ccc(C(F)F)cc1 ZINC000187525051 823081619 /nfs/dbraw/zinc/08/16/19/823081619.db2.gz HRYOSKIGBFABRT-WMLDXEAASA-N 1 0 384.467 4.128 20 0 GIADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000570740202 823079066 /nfs/dbraw/zinc/07/90/66/823079066.db2.gz HRQCUXXKBICACN-OXQOHEQNSA-N 1 0 388.943 4.244 20 0 GIADRO C[C@H](CSc1ccccc1)C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000120867430 823079649 /nfs/dbraw/zinc/07/96/49/823079649.db2.gz SUUBDIFBYBDPJY-GOSISDBHSA-N 1 0 398.572 4.258 20 0 GIADRO Cc1noc(C)c1CSCC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000056041881 823081187 /nfs/dbraw/zinc/08/11/87/823081187.db2.gz FFEYNNHJOMNPIA-UHFFFAOYSA-N 1 0 387.549 4.192 20 0 GIADRO CC[C@H](C)[NH2+][C@H](CNC(=O)N(C)[C@H]1C[C@H](c2cccc(OC)c2)C1)c1ccco1 ZINC000458750210 823081346 /nfs/dbraw/zinc/08/13/46/823081346.db2.gz BGYKGWVHJNWKCM-MCNSAMFCSA-N 1 0 399.535 4.305 20 0 GIADRO Cc1cccc(OC[C@@H](C)NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)c1 ZINC000175958315 823082273 /nfs/dbraw/zinc/08/22/73/823082273.db2.gz ZKECTFYLBPGJDS-HXUWFJFHSA-N 1 0 395.547 4.068 20 0 GIADRO CCC[C@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)NC)cc1)c1ccc(F)cc1F ZINC000120894361 823083093 /nfs/dbraw/zinc/08/30/93/823083093.db2.gz ZQRSGTWLYCRMCM-DJJJIMSYSA-N 1 0 382.476 4.065 20 0 GIADRO CC(C)Cn1ccc2c1cccc2C(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000570769331 823084260 /nfs/dbraw/zinc/08/42/60/823084260.db2.gz ZXHBIQLSFXTOGF-HXUWFJFHSA-N 1 0 397.563 4.014 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc(-c3ncon3)cc2)[C@@H]1c1cccs1 ZINC000175969100 823084518 /nfs/dbraw/zinc/08/45/18/823084518.db2.gz KTMHEOZEPUSGGD-MAUKXSAKSA-N 1 0 397.504 4.003 20 0 GIADRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)C/C=C/c1cccc(F)c1)c1ccccc1O2 ZINC000175969557 823084618 /nfs/dbraw/zinc/08/46/18/823084618.db2.gz OLLQLYDDHHPHSM-XYASWCNUSA-N 1 0 394.490 4.333 20 0 GIADRO c1csc(-c2ncc(C[NH+]3CCC(c4nnc5ccccn54)CC3)s2)c1 ZINC000120917639 823086485 /nfs/dbraw/zinc/08/64/85/823086485.db2.gz OFSZYZYYNZQZJK-UHFFFAOYSA-N 1 0 381.530 4.294 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc(OCc2cccnc2)cc1)C(=O)NC1CCC(C)CC1 ZINC000056144285 823087594 /nfs/dbraw/zinc/08/75/94/823087594.db2.gz XMJFQDBRFCFZEC-DBAFAGGRSA-N 1 0 395.547 4.395 20 0 GIADRO C[C@H]([NH2+]C[C@](C)(O)c1ccccc1Cl)c1ncc(Br)cc1F ZINC000187553789 823087620 /nfs/dbraw/zinc/08/76/20/823087620.db2.gz JVGZXJVOUNHEGZ-QFYYESIMSA-N 1 0 387.680 4.195 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc(OCc2cccnc2)cc1)C(=O)Nc1ccccc1 ZINC000056144392 823087800 /nfs/dbraw/zinc/08/78/00/823087800.db2.gz BHKRKEUJKRSLRF-ROUUACIJSA-N 1 0 375.472 4.338 20 0 GIADRO COc1cccc([C@H](CNC(=O)c2[nH]c3ccccc3c2Cl)[NH+]2CCCC2)c1 ZINC000056144429 823087899 /nfs/dbraw/zinc/08/78/99/823087899.db2.gz BLGCHQZRJMNINC-IBGZPJMESA-N 1 0 397.906 4.397 20 0 GIADRO CC[C@]1(CO)CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2Cc2ccccc2)C1 ZINC000187562148 823088916 /nfs/dbraw/zinc/08/89/16/823088916.db2.gz CSYHTCZLGHQOJH-CYFREDJKSA-N 1 0 380.532 4.089 20 0 GIADRO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)c(C)c1 ZINC000056159748 823092367 /nfs/dbraw/zinc/09/23/67/823092367.db2.gz LBYXPADQMBOYQK-IRXDYDNUSA-N 1 0 394.519 4.265 20 0 GIADRO CCOc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2cc(OC)c(OC)cc2C)cc1 ZINC000056154058 823090285 /nfs/dbraw/zinc/09/02/85/823090285.db2.gz HZDGRIIEGKUSCV-CVEARBPZSA-N 1 0 386.492 4.089 20 0 GIADRO Cc1c(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)cnn1C1CCCC1 ZINC000120943519 823090677 /nfs/dbraw/zinc/09/06/77/823090677.db2.gz KRRGOBXIRPFQQX-JOCHJYFZSA-N 1 0 380.536 4.182 20 0 GIADRO COCc1cc([C@@H](C)[NH2+]Cc2ccc(Br)cc2OC)ccc1OC ZINC000187573463 823090761 /nfs/dbraw/zinc/09/07/61/823090761.db2.gz INYJQJZISNNJRN-CYBMUJFWSA-N 1 0 394.309 4.464 20 0 GIADRO Cc1cc([C@@H](NC(=O)NCC2=CC[NH2+]CC2)c2ccccc2Cl)ccc1F ZINC000570814574 823090825 /nfs/dbraw/zinc/09/08/25/823090825.db2.gz IDZMLEHHFLINJQ-HXUWFJFHSA-N 1 0 387.886 4.096 20 0 GIADRO C[C@H](Sc1ccnc2cc(Cl)ccc21)C(=O)NCCC1CC[NH+](C)CC1 ZINC000175996140 823091451 /nfs/dbraw/zinc/09/14/51/823091451.db2.gz XGARSGDEAUQOAX-AWEZNQCLSA-N 1 0 391.968 4.217 20 0 GIADRO Brc1cccc2c1C[C@H]([NH2+]Cc1ccnc(N3CCCC3)c1)CC2 ZINC000570819904 823091684 /nfs/dbraw/zinc/09/16/84/823091684.db2.gz RLKVBQZXRXRZQF-QGZVFWFLSA-N 1 0 386.337 4.091 20 0 GIADRO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(NC(=O)NC3CC3)cc2)cc1F ZINC000056159652 823092132 /nfs/dbraw/zinc/09/21/32/823092132.db2.gz OPKSRODEMNJNQL-CABCVRRESA-N 1 0 398.482 4.096 20 0 GIADRO O[C@@H](C[NH2+]Cc1cccc(C(F)(F)F)c1)COc1cccc2ccccc21 ZINC000570830868 823093047 /nfs/dbraw/zinc/09/30/47/823093047.db2.gz WQQREUCGLIPOIY-SFHVURJKSA-N 1 0 375.390 4.388 20 0 GIADRO O=C(c1ccccc1OCc1ccc(Cl)cc1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000570835355 823093675 /nfs/dbraw/zinc/09/36/75/823093675.db2.gz CYRMRQQCPPEICK-JOCHJYFZSA-N 1 0 384.907 4.135 20 0 GIADRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(OC(C)C)cc2)cc1OC ZINC000056163547 823093918 /nfs/dbraw/zinc/09/39/18/823093918.db2.gz RIHZGRVGBXMVLX-JKSUJKDBSA-N 1 0 386.492 4.169 20 0 GIADRO C[NH+](C)CCCCC(=O)N[C@H]1CCN(C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000570845167 823094623 /nfs/dbraw/zinc/09/46/23/823094623.db2.gz GJTJULNBVUNRAB-ICSRJNTNSA-N 1 0 397.966 4.241 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)NCc2cccc3cccnc32)[C@@H]1c1cccs1 ZINC000176009675 823094844 /nfs/dbraw/zinc/09/48/44/823094844.db2.gz RZUSLJSEZJWGNU-WIYYLYMNSA-N 1 0 394.544 4.179 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1c[nH]cc1-c1ccc(F)cc1 ZINC000570847627 823095092 /nfs/dbraw/zinc/09/50/92/823095092.db2.gz TUIAWCLMZFNIPR-HXOBKFHXSA-N 1 0 391.490 4.461 20 0 GIADRO CC[NH+]1CCN(c2ccc(N[C@H](C)C(=O)Nc3ccc(C)cc3F)c(C)c2)CC1 ZINC000056170385 823095177 /nfs/dbraw/zinc/09/51/77/823095177.db2.gz DNHDNAJVAFIRSH-GOSISDBHSA-N 1 0 398.526 4.024 20 0 GIADRO CCc1ccccc1NC(=O)[C@@H](C)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000056170386 823095223 /nfs/dbraw/zinc/09/52/23/823095223.db2.gz ZTIQSFYEKJUWFT-LJQANCHMSA-N 1 0 394.563 4.138 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cc(C)no2)ccc1OCCC(C)C ZINC000056183176 823097908 /nfs/dbraw/zinc/09/79/08/823097908.db2.gz VUWKNCZKCLIEEZ-JKSUJKDBSA-N 1 0 389.496 4.094 20 0 GIADRO COCCOCc1ccc(C[NH2+][C@H]2CCN(Cc3ccccc3)CC2(C)C)cc1 ZINC000570849073 823095377 /nfs/dbraw/zinc/09/53/77/823095377.db2.gz SIALWAIVVQDIGL-DEOSSOPVSA-N 1 0 396.575 4.240 20 0 GIADRO C[C@@H](c1nc2ccccc2s1)N(C)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000176012547 823095687 /nfs/dbraw/zinc/09/56/87/823095687.db2.gz XFHDJXUGAGDNNU-HNNXBMFYSA-N 1 0 386.565 4.406 20 0 GIADRO CCOc1cccc([C@@H](C)NC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000176012223 823095793 /nfs/dbraw/zinc/09/57/93/823095793.db2.gz LVQNGTPPYNKLGO-TZIWHRDSSA-N 1 0 395.547 4.310 20 0 GIADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000458840835 823095985 /nfs/dbraw/zinc/09/59/85/823095985.db2.gz UBONTBMFWJJPIP-DHSIGJKJSA-N 1 0 398.378 4.469 20 0 GIADRO Cc1nc(C(C)C)sc1[C@H](C)N(C)CC(=O)NCc1cc(F)cc(F)c1 ZINC000120993011 823098906 /nfs/dbraw/zinc/09/89/06/823098906.db2.gz WSDVPYWGYAUHQB-ZDUSSCGKSA-N 1 0 381.492 4.162 20 0 GIADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)C2(Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000187620953 823099062 /nfs/dbraw/zinc/09/90/62/823099062.db2.gz PXQZDRJUQFLYJV-KRWDZBQOSA-N 1 0 382.470 4.218 20 0 GIADRO CC(C)(CO)[C@@H]([NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)c1ccccc1 ZINC000570889492 823102809 /nfs/dbraw/zinc/10/28/09/823102809.db2.gz YJPXJDOKAZMIPB-BEFAXECRSA-N 1 0 398.330 4.083 20 0 GIADRO C/C(=C/c1ccccc1OC(F)F)C[NH2+]C1CCN(c2nccs2)CC1 ZINC000570888763 823102836 /nfs/dbraw/zinc/10/28/36/823102836.db2.gz BIXURVBQCLBELO-OWBHPGMISA-N 1 0 379.476 4.406 20 0 GIADRO C[C@@H](Cc1ccc(Cl)cc1)[N@H+](C)Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000120998423 823100009 /nfs/dbraw/zinc/10/00/09/823100009.db2.gz HGIOBRDHPKZTKA-ZDUSSCGKSA-N 1 0 381.863 4.386 20 0 GIADRO CN(Cc1ccc(C(F)(F)F)cc1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000176031723 823100625 /nfs/dbraw/zinc/10/06/25/823100625.db2.gz FVHHNGCQZBUSNK-UHFFFAOYSA-N 1 0 383.458 4.254 20 0 GIADRO COc1ccc2ccccc2c1C[NH2+][C@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000121002278 823100861 /nfs/dbraw/zinc/10/08/61/823100861.db2.gz QUJNQSKCYZBTRO-OAHLLOKOSA-N 1 0 384.501 4.071 20 0 GIADRO C[NH+]1CCC(Oc2ccc(CNC(=O)NC(C)(C)c3ccccc3F)cc2)CC1 ZINC000570878438 823100934 /nfs/dbraw/zinc/10/09/34/823100934.db2.gz MXIHOIQITUFLNU-UHFFFAOYSA-N 1 0 399.510 4.033 20 0 GIADRO COc1ccc(C[NH2+]C[C@H](c2ccc(OC(C)C)cc2)N(C)C)c(C)c1OC ZINC000570881734 823101195 /nfs/dbraw/zinc/10/11/95/823101195.db2.gz SAARMPZAEOPTSL-OAQYLSRUSA-N 1 0 386.536 4.192 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]Cc2c(OC)ccc3ccccc32)cc1 ZINC000121008668 823102020 /nfs/dbraw/zinc/10/20/20/823102020.db2.gz XSJICIQTNRQWKA-INIZCTEOSA-N 1 0 398.528 4.461 20 0 GIADRO CCN(C(=O)NCCCC1CCOCC1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000458890842 823102353 /nfs/dbraw/zinc/10/23/53/823102353.db2.gz ULJMKTFYFKRZDV-SIKLNZKXSA-N 1 0 387.568 4.060 20 0 GIADRO CCN(C(=O)NCCCC1CCOCC1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000458890840 823102406 /nfs/dbraw/zinc/10/24/06/823102406.db2.gz ULJMKTFYFKRZDV-DENIHFKCSA-N 1 0 387.568 4.060 20 0 GIADRO CSc1ccc([C@H](CNC(=O)N(C)Cc2ccc(F)c(F)c2)[NH+](C)C)cc1 ZINC000458900816 823103893 /nfs/dbraw/zinc/10/38/93/823103893.db2.gz RIGCERMQLPXQFV-IBGZPJMESA-N 1 0 393.503 4.131 20 0 GIADRO Cc1ccccc1[C@@H](CC(C)C)NC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000176040988 823104118 /nfs/dbraw/zinc/10/41/18/823104118.db2.gz QKQBVTNATXLKQW-OAQYLSRUSA-N 1 0 396.535 4.064 20 0 GIADRO c1ccc(Cn2c(SCCC[NH+]3CCCCC3)nnc2-c2cccnc2)cc1 ZINC000187663458 823108386 /nfs/dbraw/zinc/10/83/86/823108386.db2.gz ZHFZYNIHKWANTG-UHFFFAOYSA-N 1 0 393.560 4.357 20 0 GIADRO Cc1ccc2[nH]cc(CCC(=O)Nc3cccc4c3OCC[C@@H]4[NH+](C)C)c2c1 ZINC000570896645 823104477 /nfs/dbraw/zinc/10/44/77/823104477.db2.gz JEFLPTWIEOYXIY-NRFANRHFSA-N 1 0 377.488 4.433 20 0 GIADRO Clc1ccc(C2=CC[C@H]([NH2+]CCc3nnnn3-c3ccccc3)CC2)cc1 ZINC000570897637 823104653 /nfs/dbraw/zinc/10/46/53/823104653.db2.gz JJBPLQKVTQYDBY-IBGZPJMESA-N 1 0 379.895 4.084 20 0 GIADRO CSc1ccc([C@H](CNC(=O)N(Cc2cccs2)C2CC2)[NH+](C)C)cc1 ZINC000458908363 823104967 /nfs/dbraw/zinc/10/49/67/823104967.db2.gz XIVSJTQZDDNKLO-IBGZPJMESA-N 1 0 389.590 4.447 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccc2Oc2cccnc2)CC1)c1ccccc1 ZINC000121026135 823105062 /nfs/dbraw/zinc/10/50/62/823105062.db2.gz VFJDDFYKOVDQEA-UHFFFAOYSA-N 1 0 387.483 4.268 20 0 GIADRO CCc1ccc(OCc2nnc(SC[C@H]3CC[N@H+](C)C3)n2CC(C)C)cc1 ZINC000187650115 823105205 /nfs/dbraw/zinc/10/52/05/823105205.db2.gz GMCXLUSODCEWJV-SFHVURJKSA-N 1 0 388.581 4.119 20 0 GIADRO C[N@@H+]1CCCN(c2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)CC1 ZINC000176046143 823105918 /nfs/dbraw/zinc/10/59/18/823105918.db2.gz STTJXZQJMCVEHK-UHFFFAOYSA-N 1 0 378.303 4.388 20 0 GIADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)NC[C@@H]1CCCCC1(F)F ZINC000458935100 823108545 /nfs/dbraw/zinc/10/85/45/823108545.db2.gz HQVDRJMKIZYUCC-AWEZNQCLSA-N 1 0 387.437 4.118 20 0 GIADRO Cc1ccc(C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)cc1Br ZINC000121038874 823107123 /nfs/dbraw/zinc/10/71/23/823107123.db2.gz XUUMPCILWFHPIE-UHFFFAOYSA-N 1 0 393.369 4.372 20 0 GIADRO O=C(NC1CC[NH+](CC2CC2)CC1)C1(c2ccc(Cl)c(Cl)c2)CCC1 ZINC000176059978 823109404 /nfs/dbraw/zinc/10/94/04/823109404.db2.gz ZOGYMGXSMJIQCT-UHFFFAOYSA-N 1 0 381.347 4.406 20 0 GIADRO CC[C@H](Cn1cncn1)[NH2+]C1(c2nc(-c3ccccc3F)c(C)s2)CCC1 ZINC000570936153 823109807 /nfs/dbraw/zinc/10/98/07/823109807.db2.gz FDXGYSPVCDAPMS-OAHLLOKOSA-N 1 0 385.512 4.297 20 0 GIADRO CC1CC[NH+](C[C@H]2CCCN(C(=O)N[C@@H]3C[C@@H](C)Oc4ccccc43)C2)CC1 ZINC000458948127 823110000 /nfs/dbraw/zinc/11/00/00/823110000.db2.gz OZWIOYPKZUIPIB-SFHLNBCPSA-N 1 0 385.552 4.052 20 0 GIADRO CC[NH+](CC)CCCNC(=O)c1ccc(NCc2nc(C)cs2)cc1Cl ZINC000570948141 823110895 /nfs/dbraw/zinc/11/08/95/823110895.db2.gz LXXUFAHOVJIZSS-UHFFFAOYSA-N 1 0 394.972 4.179 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@@H](C)C[C@H](O)c2ccc(F)cc2)cc(OC)c1OC ZINC000121061384 823111105 /nfs/dbraw/zinc/11/11/05/823111105.db2.gz FUSYBJZJDFPMLE-DEYYWGMASA-N 1 0 377.456 4.014 20 0 GIADRO O=C(C[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000570958874 823112006 /nfs/dbraw/zinc/11/20/06/823112006.db2.gz PYXBWGUXAGVCGO-WBMJQRKESA-N 1 0 390.833 4.188 20 0 GIADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@H](c2ccc(F)c(Cl)c2)C2CC2)C1 ZINC000458976048 823112417 /nfs/dbraw/zinc/11/24/17/823112417.db2.gz BDJRLLBLNIQOID-YWZLYKJASA-N 1 0 393.934 4.304 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@@H](C)C[C@H](O)c2ccc(F)cc2)cc1Cn1cccn1 ZINC000121073083 823113071 /nfs/dbraw/zinc/11/30/71/823113071.db2.gz VDBKDJRRTWPUPS-HOIFWPIMSA-N 1 0 397.494 4.242 20 0 GIADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1c(C)nc(-c2ccco2)nc1SC ZINC000176083830 823115066 /nfs/dbraw/zinc/11/50/66/823115066.db2.gz PUGVSWYTMLHGIJ-CQSZACIVSA-N 1 0 390.553 4.007 20 0 GIADRO CC(C)(C)[NH+]1CCC(NCc2cn(-c3ccccc3)nc2-c2cccnc2)CC1 ZINC000121088371 823116004 /nfs/dbraw/zinc/11/60/04/823116004.db2.gz BFCVMINYARGWGB-UHFFFAOYSA-N 1 0 389.547 4.287 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000121089498 823116309 /nfs/dbraw/zinc/11/63/09/823116309.db2.gz NNPULWWVJLIURG-MOPGFXCFSA-N 1 0 398.469 4.198 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000121089777 823116374 /nfs/dbraw/zinc/11/63/74/823116374.db2.gz NNPULWWVJLIURG-RTBURBONSA-N 1 0 398.469 4.198 20 0 GIADRO COc1cc2c(cc1F)[nH+]ccc2N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000570993160 823116996 /nfs/dbraw/zinc/11/69/96/823116996.db2.gz LLBHMSKBFDKNTQ-JBYIUTFZSA-N 1 0 378.447 4.391 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@@H](c1cccs1)N(C)C ZINC000121094412 823117247 /nfs/dbraw/zinc/11/72/47/823117247.db2.gz YMBWHMWAIZSOCS-BBRMVZONSA-N 1 0 395.956 4.020 20 0 GIADRO CSc1ccc([C@H](CNC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)[NH+](C)C)cc1 ZINC000571001555 823118280 /nfs/dbraw/zinc/11/82/80/823118280.db2.gz UKHCGROSNDZJPP-LMMKCTJWSA-N 1 0 390.499 4.209 20 0 GIADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)N[C@@H](c2ccc(F)c(Cl)c2)C2CC2)C1 ZINC000459025176 823118343 /nfs/dbraw/zinc/11/83/43/823118343.db2.gz VIRMFLXVLGNKAD-ATZDWAIDSA-N 1 0 379.907 4.056 20 0 GIADRO Fc1ccccc1-c1nc2c(s1)[C@@H]([NH2+]CCOC[C@H]1CCCO1)CCC2 ZINC000121099822 823118556 /nfs/dbraw/zinc/11/85/56/823118556.db2.gz USFZEFVURXGBOU-PBHICJAKSA-N 1 0 376.497 4.112 20 0 GIADRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)N1Cc2ccccc2C2(CC2)C1 ZINC000187712535 823118604 /nfs/dbraw/zinc/11/86/04/823118604.db2.gz SBAGTRBDEDFRMH-SFHVURJKSA-N 1 0 395.572 4.217 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)c2sccc2OC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000176100704 823120551 /nfs/dbraw/zinc/12/05/51/823120551.db2.gz YXAXXKRJWVBNAP-UKRRQHHQSA-N 1 0 380.460 4.132 20 0 GIADRO CCCNC(=O)C1CC[NH+](CCCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000056282783 823120718 /nfs/dbraw/zinc/12/07/18/823120718.db2.gz BJMLSDVTDUZYOU-UHFFFAOYSA-N 1 0 386.458 4.103 20 0 GIADRO C[NH+](C)C[C@@H]1CCN(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)C1 ZINC000187727824 823120716 /nfs/dbraw/zinc/12/07/16/823120716.db2.gz WTEJUJDHNXQWLQ-HNNXBMFYSA-N 1 0 380.517 4.379 20 0 GIADRO CCCc1ncc(CNC(=O)N(CCC)[C@H]2CCC[N@H+](Cc3ccccc3)C2)o1 ZINC000459053329 823121030 /nfs/dbraw/zinc/12/10/30/823121030.db2.gz QZXPQJRCQWHHBA-FQEVSTJZSA-N 1 0 398.551 4.213 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)c2ccccc2Br)CC[N@@H+]1Cc1ccccc1 ZINC000176103134 823121405 /nfs/dbraw/zinc/12/14/05/823121405.db2.gz ITMZLESLTAZUCP-NVXWUHKLSA-N 1 0 387.321 4.232 20 0 GIADRO COc1cc(C2(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)CC2)ccc1C ZINC000176105186 823121899 /nfs/dbraw/zinc/12/18/99/823121899.db2.gz KTRCZPFLEQGKPS-DENIHFKCSA-N 1 0 392.543 4.205 20 0 GIADRO O=C(C[C@H](Cc1ccccc1)c1ccccc1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000571044961 823124515 /nfs/dbraw/zinc/12/45/15/823124515.db2.gz PKOKRXXSPLQAGH-HJOGWXRNSA-N 1 0 376.544 4.251 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)c1 ZINC000176105170 823122007 /nfs/dbraw/zinc/12/20/07/823122007.db2.gz VWXIIXBBELFMLO-UHFFFAOYSA-N 1 0 389.499 4.018 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2cccc(-c3nccn3C)c2)C1 ZINC000176107436 823122552 /nfs/dbraw/zinc/12/25/52/823122552.db2.gz CBGOQCCFKMSOEE-MOPGFXCFSA-N 1 0 395.551 4.205 20 0 GIADRO Cc1ccc(CN(CCc2ccccc2)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)s1 ZINC000459064854 823122777 /nfs/dbraw/zinc/12/27/77/823122777.db2.gz SQGMUZPWDANUMF-SEJPIABJSA-N 1 0 397.588 4.436 20 0 GIADRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CCO[C@H](c2cccs2)C1 ZINC000459076876 823124645 /nfs/dbraw/zinc/12/46/45/823124645.db2.gz PYFFZSZNCLRMHO-RDGPPVDQSA-N 1 0 393.597 4.168 20 0 GIADRO Cc1cc(N2CCC([NH2+][C@H](C)c3ccc(Oc4ccccc4)cn3)CC2)n[nH]1 ZINC000571036609 823123492 /nfs/dbraw/zinc/12/34/92/823123492.db2.gz VYGFUHNEZVMAOT-QGZVFWFLSA-N 1 0 377.492 4.225 20 0 GIADRO CCc1cc(C(=O)Nc2ccc(SCC[NH+]3CCCCC3)cc2)cc(=O)[nH]1 ZINC000571049052 823124927 /nfs/dbraw/zinc/12/49/27/823124927.db2.gz CJUNEAUTPLCJDJ-UHFFFAOYSA-N 1 0 385.533 4.180 20 0 GIADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2ccc(-c3ccccc3)c(C)c2)c1 ZINC000187751365 823125466 /nfs/dbraw/zinc/12/54/66/823125466.db2.gz YAGUUEOSCNTKDR-GOSISDBHSA-N 1 0 394.540 4.421 20 0 GIADRO Cc1c(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)cnn1-c1ccccc1F ZINC000056332505 823129898 /nfs/dbraw/zinc/12/98/98/823129898.db2.gz ALLGULXDBJXPSD-UHFFFAOYSA-N 1 0 392.478 4.210 20 0 GIADRO CC[C@@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1cccc(Cl)c1 ZINC000121140331 823125883 /nfs/dbraw/zinc/12/58/83/823125883.db2.gz URGMCZFCRMKPRV-AUUYWEPGSA-N 1 0 380.941 4.392 20 0 GIADRO Clc1cc(C[NH2+][C@H]2CCOc3c(Br)cccc32)cc2c1OCO2 ZINC000571055175 823126008 /nfs/dbraw/zinc/12/60/08/823126008.db2.gz XNHUBYWKLNWFSR-AWEZNQCLSA-N 1 0 396.668 4.445 20 0 GIADRO O=C(c1ccc(C2SCCCS2)cc1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000121151865 823128273 /nfs/dbraw/zinc/12/82/73/823128273.db2.gz XAVUCVWVQKYQMC-GOSISDBHSA-N 1 0 376.591 4.256 20 0 GIADRO C[C@@H](c1cc(F)ccc1F)N(C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000056330595 823129435 /nfs/dbraw/zinc/12/94/35/823129435.db2.gz RKTZVMXYSTVZHH-INIZCTEOSA-N 1 0 387.474 4.332 20 0 GIADRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)Nc2cccc(OCc3ccccc3C)c2)C1(C)C ZINC000187771633 823129684 /nfs/dbraw/zinc/12/96/84/823129684.db2.gz VHIAAKCSBGZCNU-NFBKMPQASA-N 1 0 382.504 4.045 20 0 GIADRO O=C(CCc1nnc(-c2ccsc2)o1)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000056332657 823129813 /nfs/dbraw/zinc/12/98/13/823129813.db2.gz GAAUGZFAMMIEAN-UHFFFAOYSA-N 1 0 396.516 4.008 20 0 GIADRO Cc1ccc(CN(CCc2ccccc2)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000121158904 823129812 /nfs/dbraw/zinc/12/98/12/823129812.db2.gz ZUGXIJGKGYYWRX-FQEVSTJZSA-N 1 0 397.588 4.295 20 0 GIADRO Cc1coc(-c2ccc(C)c(NC(=O)N[C@H](Cc3ccccc3)C[NH+](C)C)c2)n1 ZINC000121165844 823130776 /nfs/dbraw/zinc/13/07/76/823130776.db2.gz YVGRMYCYUSAIBE-HXUWFJFHSA-N 1 0 392.503 4.253 20 0 GIADRO Cc1cc(C(=O)N(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)co1 ZINC000187777642 823130875 /nfs/dbraw/zinc/13/08/75/823130875.db2.gz RQARJOZGQFMQAZ-QGZVFWFLSA-N 1 0 380.410 4.115 20 0 GIADRO COc1ccc(CCCC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000176130675 823131321 /nfs/dbraw/zinc/13/13/21/823131321.db2.gz QGSOAAJDTNOUDN-UGKGYDQZSA-N 1 0 380.532 4.187 20 0 GIADRO COc1cc(C[NH2+][C@@H](CC(C)C)c2cccs2)cc(Cl)c1OCC(N)=O ZINC000121167948 823131347 /nfs/dbraw/zinc/13/13/47/823131347.db2.gz JVJPLNQLCOHERR-HNNXBMFYSA-N 1 0 396.940 4.151 20 0 GIADRO CCN(C(=O)NC[C@@H]1CCOC(C)(C)C1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000459129115 823131944 /nfs/dbraw/zinc/13/19/44/823131944.db2.gz DGLNSDPFYHYLCK-ZVDOUQERSA-N 1 0 387.568 4.059 20 0 GIADRO C[C@H](NC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccn2)CC1)[C@H]1CCC[C@@H](C)C1 ZINC000459133208 823132784 /nfs/dbraw/zinc/13/27/84/823132784.db2.gz CCOGXCJLJUJFIH-FCIYXJNOSA-N 1 0 386.584 4.292 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)CCC(=O)c2ccc(Cl)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000176137907 823133218 /nfs/dbraw/zinc/13/32/18/823133218.db2.gz HXKVHIKGJLPLLL-UTKZUKDTSA-N 1 0 398.934 4.472 20 0 GIADRO CC[N@H+](CC(=O)Nc1cc(Cl)c(OC)cc1OC)[C@@H](C)Cc1ccsc1 ZINC000187789698 823133596 /nfs/dbraw/zinc/13/35/96/823133596.db2.gz KDEHTFZKOCITMY-ZDUSSCGKSA-N 1 0 396.940 4.310 20 0 GIADRO C[C@H]([NH2+]CCOc1ccccc1C(F)(F)F)C1CCN(CC(F)(F)F)CC1 ZINC000571109040 823133587 /nfs/dbraw/zinc/13/35/87/823133587.db2.gz KKNGYTVUZGNMCK-ZDUSSCGKSA-N 1 0 398.391 4.337 20 0 GIADRO CC(=O)Nc1cccc(C(=O)Nc2cc(C[NH+]3CCSCC3)ccc2C)c1C ZINC000187794053 823134422 /nfs/dbraw/zinc/13/44/22/823134422.db2.gz QETUHLLXPQRQMG-UHFFFAOYSA-N 1 0 397.544 4.063 20 0 GIADRO CCOc1ccccc1Oc1ccccc1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000176144597 823134965 /nfs/dbraw/zinc/13/49/65/823134965.db2.gz IAJVLSHGERMLAM-KRWDZBQOSA-N 1 0 380.488 4.092 20 0 GIADRO C[N@H+](CCCCNC(=O)N1CCSC[C@H]1c1ccc(Cl)cc1)C1CC1 ZINC000459167760 823136905 /nfs/dbraw/zinc/13/69/05/823136905.db2.gz URUISZZTGJBTLQ-SFHVURJKSA-N 1 0 381.973 4.014 20 0 GIADRO CC[N@H+](CC(=O)N[C@@H](c1nccs1)c1ccccc1)[C@@H](C)Cc1ccsc1 ZINC000187803935 823136980 /nfs/dbraw/zinc/13/69/80/823136980.db2.gz QFHPQFRCNPTIFH-OXJNMPFZSA-N 1 0 399.585 4.363 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNS(=O)(=O)Cc1ccc2ccccc2c1 ZINC000571127491 823137125 /nfs/dbraw/zinc/13/71/25/823137125.db2.gz YBQYVSDGKRYKEN-UHFFFAOYSA-N 1 0 396.556 4.300 20 0 GIADRO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C(=O)NCC(C)(C)C2=CCCC2)C1 ZINC000459174443 823138128 /nfs/dbraw/zinc/13/81/28/823138128.db2.gz OLTNOSFCBNOOHE-KRWDZBQOSA-N 1 0 390.597 4.051 20 0 GIADRO C[C@H](NC(=O)CC(C)(C)C)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000187819466 823140088 /nfs/dbraw/zinc/14/00/88/823140088.db2.gz GUCBNMWLZPBYGY-KRWDZBQOSA-N 1 0 387.568 4.331 20 0 GIADRO COc1cc([C@H](C)[NH2+]Cc2c(C)cc(C)cc2C)ccc1S(=O)(=O)C(F)F ZINC000121218869 823140888 /nfs/dbraw/zinc/14/08/88/823140888.db2.gz KWHYGFRHAXUNKB-HNNXBMFYSA-N 1 0 397.487 4.468 20 0 GIADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCC1(Cc2cccc(Cl)c2)CC1 ZINC000459214590 823145611 /nfs/dbraw/zinc/14/56/11/823145611.db2.gz QTMMIIOCDUSAFR-INIZCTEOSA-N 1 0 377.960 4.034 20 0 GIADRO COc1cccc(C[C@@H]([NH2+]C[C@H]2CCN(c3ccccc3OC)C2)C2CC2)c1 ZINC000121218481 823141055 /nfs/dbraw/zinc/14/10/55/823141055.db2.gz VJBFMFYOXGUYHZ-DENIHFKCSA-N 1 0 380.532 4.141 20 0 GIADRO Cc1ncc(CN(C)C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)s1 ZINC000056386739 823141458 /nfs/dbraw/zinc/14/14/58/823141458.db2.gz NDNBFYROQMXSBO-UHFFFAOYSA-N 1 0 386.565 4.025 20 0 GIADRO C[NH+](C)CCN(Cc1cccs1)C(=O)Nc1ccc2c(c1)C(=O)CCCC2 ZINC000571155865 823141951 /nfs/dbraw/zinc/14/19/51/823141951.db2.gz IVBSXHXIKBZPKM-UHFFFAOYSA-N 1 0 385.533 4.253 20 0 GIADRO Cc1ccc([C@H](O)C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)cc1 ZINC000121241653 823145853 /nfs/dbraw/zinc/14/58/53/823145853.db2.gz FFJGWRGJVXSRAL-HSZRJFAPSA-N 1 0 384.483 4.066 20 0 GIADRO C[C@H](C[C@H](O)c1cccs1)[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000121234230 823144057 /nfs/dbraw/zinc/14/40/57/823144057.db2.gz UQGLFWMMSMTZIP-IGCXYCKISA-N 1 0 376.913 4.145 20 0 GIADRO C[N@H+](CCCCNC(=O)N(Cc1ccccc1C(F)(F)F)C1CC1)C1CC1 ZINC000459208837 823144640 /nfs/dbraw/zinc/14/46/40/823144640.db2.gz XFYQZZCGEKQLFA-UHFFFAOYSA-N 1 0 383.458 4.254 20 0 GIADRO CCOc1cccc2cc([C@@H](C)NC(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)oc21 ZINC000121237537 823144998 /nfs/dbraw/zinc/14/49/98/823144998.db2.gz LAUOSNQXAZZJFI-SJLPKXTDSA-N 1 0 385.508 4.162 20 0 GIADRO CC[C@@H]([NH2+]Cc1ccccc1S(=O)(=O)NC(C)(C)C)c1cccc(F)c1 ZINC000187842890 823145016 /nfs/dbraw/zinc/14/50/16/823145016.db2.gz CPHREIXUUIURPW-GOSISDBHSA-N 1 0 378.513 4.143 20 0 GIADRO CC[NH+](CC)CC1CCN(C(=O)N[C@H](c2ccco2)c2ccc(OC)cc2)CC1 ZINC000459213778 823145370 /nfs/dbraw/zinc/14/53/70/823145370.db2.gz NEYJJMLBIJHIHJ-QFIPXVFZSA-N 1 0 399.535 4.141 20 0 GIADRO Cc1ccc(-n2cc(C[NH2+]C[C@H](C)C[C@H](C)O)c(-c3ccc(F)cc3)n2)cc1 ZINC000571184825 823145392 /nfs/dbraw/zinc/14/53/92/823145392.db2.gz LBTDRDCCEGSUGJ-MSOLQXFVSA-N 1 0 381.495 4.483 20 0 GIADRO CC(C)C[C@@H]([NH2+][C@@H]1CCCc2cc(S(N)(=O)=O)ccc21)c1cccs1 ZINC000571184901 823145550 /nfs/dbraw/zinc/14/55/50/823145550.db2.gz IXGFQBDKXFBPHL-QZTJIDSGSA-N 1 0 378.563 4.150 20 0 GIADRO COc1ccc([C@@H](NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c2ccco2)cc1 ZINC000459214681 823145570 /nfs/dbraw/zinc/14/55/70/823145570.db2.gz NXAOTHZLBQTZQK-SIKLNZKXSA-N 1 0 397.519 4.038 20 0 GIADRO C[C@@H](NC(=O)Nc1cccc(NC(=O)c2ccccc2)c1)C(C)(C)C[NH+](C)C ZINC000121216712 823140680 /nfs/dbraw/zinc/14/06/80/823140680.db2.gz AUOABNCFRGTNFY-MRXNPFEDSA-N 1 0 382.508 4.037 20 0 GIADRO O=C(Nc1cccc(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)c1)NC1CC1 ZINC000056419660 823146862 /nfs/dbraw/zinc/14/68/62/823146862.db2.gz ABHUBRIKXJMWCG-UHFFFAOYSA-N 1 0 392.503 4.209 20 0 GIADRO CN(Cc1ccc2ccccc2c1)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000056421948 823147253 /nfs/dbraw/zinc/14/72/53/823147253.db2.gz FGEIXZSHKBJLLB-UHFFFAOYSA-N 1 0 388.515 4.041 20 0 GIADRO CC(=O)c1ccc(OC[C@H](O)C[NH2+]C[C@@H](C)c2ccc(C(F)(F)F)cc2)cc1 ZINC000571199176 823147451 /nfs/dbraw/zinc/14/74/51/823147451.db2.gz VDDWBKIASOZYHN-AUUYWEPGSA-N 1 0 395.421 4.041 20 0 GIADRO Cc1nccn1CCC[NH2+][C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000571201663 823147618 /nfs/dbraw/zinc/14/76/18/823147618.db2.gz PZEAPTCWYRXJGU-SFHVURJKSA-N 1 0 387.325 4.493 20 0 GIADRO CCN(C(=O)NCc1ccc(C)c(C)n1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000459244545 823150762 /nfs/dbraw/zinc/15/07/62/823150762.db2.gz 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C[N@@H+]1CCC[C@@H](CCNC(=O)N2CCC[C@H]2c2ccc(Br)cc2)C1 ZINC000459269058 823154315 /nfs/dbraw/zinc/15/43/15/823154315.db2.gz SOJNFZUPKJJHFP-YJBOKZPZSA-N 1 0 394.357 4.028 20 0 GIADRO CCN(C(=O)NC1CCC(C(F)F)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459270610 823154424 /nfs/dbraw/zinc/15/44/24/823154424.db2.gz CNKZDMBJSYYHTF-CTWPCTMYSA-N 1 0 379.495 4.116 20 0 GIADRO c1cc([C@H]2CCC[N@@H+](Cc3cn(-c4ccccc4)nc3-c3cccnc3)C2)n[nH]1 ZINC000121283146 823154567 /nfs/dbraw/zinc/15/45/67/823154567.db2.gz MARFIIBBOVFWCP-IBGZPJMESA-N 1 0 384.487 4.037 20 0 GIADRO C[N@@H+]1CCC[C@@H](CCNC(=O)N(Cc2cccs2)Cc2cccs2)C1 ZINC000459274038 823155040 /nfs/dbraw/zinc/15/50/40/823155040.db2.gz ZFMYRGBOBJBNSV-INIZCTEOSA-N 1 0 377.579 4.253 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)NCC(C)(C)c2cccs2)CC1 ZINC000176220979 823155733 /nfs/dbraw/zinc/15/57/33/823155733.db2.gz CJTAIFOLVATKCA-UHFFFAOYSA-N 1 0 385.577 4.332 20 0 GIADRO c1nc2cc(C[N@@H+]3C[C@H]4CCC[C@@]4(c4nc(-c5ccccc5)no4)C3)ccc2[nH]1 ZINC000571258793 823157052 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CCCCCNC(=O)C1CC[NH+](Cc2c(C)nc3scc(C4CC4)n23)CC1 ZINC000459305882 823158963 /nfs/dbraw/zinc/15/89/63/823158963.db2.gz QZOAMGURFFKSRX-UHFFFAOYSA-N 1 0 388.581 4.100 20 0 GIADRO C[N@H+](Cc1cccc(OCC(F)(F)F)c1)Cc1ccccc1N1CCOCC1 ZINC000056491516 823159361 /nfs/dbraw/zinc/15/93/61/823159361.db2.gz JBYNDURMYQQTAM-UHFFFAOYSA-N 1 0 394.437 4.096 20 0 GIADRO C[C@@H]1CN(c2ccccc2C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)CCO1 ZINC000459307527 823159475 /nfs/dbraw/zinc/15/94/75/823159475.db2.gz OEZZDXHVMDOVEL-UYAOXDASSA-N 1 0 386.561 4.154 20 0 GIADRO CC(=O)c1cccc(OC[C@H](O)C[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)c1 ZINC000121306698 823159820 /nfs/dbraw/zinc/15/98/20/823159820.db2.gz SGAIKMHEBZOPDM-ISKFKSNPSA-N 1 0 393.458 4.147 20 0 GIADRO Cn1cnnc1C1CC[NH+](C/C=C\c2ccc(OCc3ccccc3)cc2)CC1 ZINC000459319687 823160696 /nfs/dbraw/zinc/16/06/96/823160696.db2.gz DLUAUEVKBMBLTR-YVMONPNESA-N 1 0 388.515 4.287 20 0 GIADRO C[C@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000459320195 823160709 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CCCCN(C)C(=O)C1CC[NH+](Cc2c(C)nc3scc(C4CC4)n23)CC1 ZINC000459330911 823162471 /nfs/dbraw/zinc/16/24/71/823162471.db2.gz SDHVHQQJIPDYAT-UHFFFAOYSA-N 1 0 388.581 4.052 20 0 GIADRO CO[C@@H](C)c1nc(C)c(C(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)s1 ZINC000176249459 823163067 /nfs/dbraw/zinc/16/30/67/823163067.db2.gz OPKTVEUIDPKDLE-AWEZNQCLSA-N 1 0 395.956 4.016 20 0 GIADRO C[C@H]1CC[C@@](CO)([N@H+](C)Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000187957146 823163667 /nfs/dbraw/zinc/16/36/67/823163667.db2.gz RJRMOSGUGKNQOQ-SCLBCKFNSA-N 1 0 379.298 4.087 20 0 GIADRO Cc1ccc(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c(OCC(F)(F)F)c1 ZINC000056541089 823164606 /nfs/dbraw/zinc/16/46/06/823164606.db2.gz ZCTMJSDXTYOBEQ-UHFFFAOYSA-N 1 0 387.446 4.367 20 0 GIADRO C[C@H]1CN(c2ccccc2C[N@H+](C)C2CCN(Cc3ccccc3)CC2)CCO1 ZINC000459342447 823165780 /nfs/dbraw/zinc/16/57/80/823165780.db2.gz RDVLWBWANRCEIL-NRFANRHFSA-N 1 0 393.575 4.008 20 0 GIADRO CCOc1cc(C[N@H+](CC)CCc2nccs2)cc(Br)c1O ZINC000459342666 823165823 /nfs/dbraw/zinc/16/58/23/823165823.db2.gz PJRGHBPIUCQNMI-UHFFFAOYSA-N 1 0 385.327 4.075 20 0 GIADRO FC(F)(F)c1cccc(CN2CCC([NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)CC2)c1 ZINC000121347451 823167668 /nfs/dbraw/zinc/16/76/68/823167668.db2.gz WLRHCEZJAMMPCG-ZCNNSNEGSA-N 1 0 394.481 4.217 20 0 GIADRO Cc1cc(F)c(CNc2ccccc2C[N@@H+]2CCC[C@H](C(N)=O)C2)c(Cl)c1 ZINC000459351273 823168693 /nfs/dbraw/zinc/16/86/93/823168693.db2.gz KXVXMHYGCROYEK-INIZCTEOSA-N 1 0 389.902 4.097 20 0 GIADRO Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000187994157 823168715 /nfs/dbraw/zinc/16/87/15/823168715.db2.gz RBXPJPGLJLYKTD-UHFFFAOYSA-N 1 0 385.455 4.180 20 0 GIADRO Clc1ccc(OC[C@@H]2CCCO2)c(NC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000459352888 823168831 /nfs/dbraw/zinc/16/88/31/823168831.db2.gz SKLUIWKDDVRIFC-IBGZPJMESA-N 1 0 387.911 4.374 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+]CCN2CCc3c(Cl)cccc3C2)s1 ZINC000187999688 823169404 /nfs/dbraw/zinc/16/94/04/823169404.db2.gz PCZUTPGMEHPSKM-AWEZNQCLSA-N 1 0 393.984 4.003 20 0 GIADRO Cc1cc(C[N@@H+](Cc2ccccc2)C[C@@]2(O)CCO[C@H]2C)cc2cccnc12 ZINC000571364660 823171898 /nfs/dbraw/zinc/17/18/98/823171898.db2.gz CRCVTAPEQZJGAQ-CYFREDJKSA-N 1 0 376.500 4.085 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN([C@@H](C)C(=O)Nc2ccccc2Cc2ccccc2)C1 ZINC000176276225 823169966 /nfs/dbraw/zinc/16/99/66/823169966.db2.gz BWHIFLPGSDESMG-UNMCSNQZSA-N 1 0 393.575 4.268 20 0 GIADRO COC(=O)c1cccc(C[NH2+][C@@H]2c3cccc(Br)c3CC2(C)C)n1 ZINC000571355107 823170185 /nfs/dbraw/zinc/17/01/85/823170185.db2.gz CEDQPRRWLCQMJI-QGZVFWFLSA-N 1 0 389.293 4.044 20 0 GIADRO C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+][C@H]1CCN(Cc2ccccc2)C1=O ZINC000571359005 823170460 /nfs/dbraw/zinc/17/04/60/823170460.db2.gz DKKXRWUTAAFPIR-GRFAERAESA-N 1 0 388.433 4.499 20 0 GIADRO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H]1COc2ccc(F)cc2C1 ZINC000571358920 823170476 /nfs/dbraw/zinc/17/04/76/823170476.db2.gz GVGFGJHTVLWIRF-WFASDCNBSA-N 1 0 396.384 4.155 20 0 GIADRO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H]1COc2ccc(F)cc2C1 ZINC000571358914 823170523 /nfs/dbraw/zinc/17/05/23/823170523.db2.gz GVGFGJHTVLWIRF-DOMZBBRYSA-N 1 0 396.384 4.155 20 0 GIADRO O=c1cc(C[N@@H+](CCCO)C(c2ccccc2)c2ccccc2)nc(C2CC2)[nH]1 ZINC000459359145 823171010 /nfs/dbraw/zinc/17/10/10/823171010.db2.gz DCLQYVUPCWGHJI-UHFFFAOYSA-N 1 0 389.499 4.034 20 0 GIADRO O=S(=O)(c1ccccc1C[NH2+]Cc1ccc(C2CC2)cc1)N1CCCCC1 ZINC000459362822 823172278 /nfs/dbraw/zinc/17/22/78/823172278.db2.gz HMGQJHBVJMCHSZ-UHFFFAOYSA-N 1 0 384.545 4.028 20 0 GIADRO C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[NH2+][C@H](c1ccccc1)C(C)(C)CO ZINC000571366741 823172383 /nfs/dbraw/zinc/17/23/83/823172383.db2.gz LRAQWRXQSZOXLR-UZUQRXQVSA-N 1 0 394.515 4.302 20 0 GIADRO COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H](C)c2ccccc2Cl)c(OC)c1 ZINC000121373760 823172731 /nfs/dbraw/zinc/17/27/31/823172731.db2.gz CKODXXTVKJIHHW-ZIAGYGMSSA-N 1 0 376.884 4.425 20 0 GIADRO C[C@H]1CN(c2ccccc2C[NH2+]Cc2csc(Br)c2)CCO1 ZINC000459364814 823173125 /nfs/dbraw/zinc/17/31/25/823173125.db2.gz AORKYSSYHLXEBD-ZDUSSCGKSA-N 1 0 381.339 4.026 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(Cn3ccnc3)c2)[C@H]1Sc1ccccc1 ZINC000459364269 823173218 /nfs/dbraw/zinc/17/32/18/823173218.db2.gz JRKNIEPRGCDXPM-YTFSRNRJSA-N 1 0 393.556 4.359 20 0 GIADRO C[N@H+](CCC(=O)OC(C)(C)C)Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459370591 823174748 /nfs/dbraw/zinc/17/47/48/823174748.db2.gz IVOZLJMXBPTVBJ-UHFFFAOYSA-N 1 0 384.524 4.224 20 0 GIADRO CN(c1ccc(NC(=O)[C@@H]2CCCc3sccc32)cc1)C1CC[NH+](C)CC1 ZINC000121385141 823175002 /nfs/dbraw/zinc/17/50/02/823175002.db2.gz YRLXHESAXOZITI-HXUWFJFHSA-N 1 0 383.561 4.337 20 0 GIADRO CCOc1cc(C[N@H+](C)Cc2cc(OC)c(OC)cc2SC)ccc1O ZINC000459372548 823175116 /nfs/dbraw/zinc/17/51/16/823175116.db2.gz KKICHZXCCPJFGV-UHFFFAOYSA-N 1 0 377.506 4.162 20 0 GIADRO Cc1cnc([C@H](C)C[NH2+]C[C@@H](O)COc2ccc(-c3ccccc3)cc2)s1 ZINC000571397468 823177388 /nfs/dbraw/zinc/17/73/88/823177388.db2.gz DNNIODLACOGHJH-OXQOHEQNSA-N 1 0 382.529 4.252 20 0 GIADRO c1cc2c(s1)CCN([C@@H](C[NH2+]Cc1cnc(C3CC3)nc1)c1ccccc1)C2 ZINC000459373177 823175441 /nfs/dbraw/zinc/17/54/41/823175441.db2.gz JVYDYIJMSCYHRO-NRFANRHFSA-N 1 0 390.556 4.305 20 0 GIADRO CCOC(=O)/C=C/c1ccc(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000176298832 823175770 /nfs/dbraw/zinc/17/57/70/823175770.db2.gz CZEPEGAQILIPGQ-JLHYYAGUSA-N 1 0 399.535 4.182 20 0 GIADRO CCOc1cc2c(cc1C[NH2+]Cc1cnc(-c3ccncc3)s1)O[C@H](C)C2 ZINC000571391417 823176532 /nfs/dbraw/zinc/17/65/32/823176532.db2.gz CQOPOTJUTBXFNQ-CQSZACIVSA-N 1 0 381.501 4.217 20 0 GIADRO C[C@@H](C[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1)N1CCC[C@H](C)C1 ZINC000459377605 823176864 /nfs/dbraw/zinc/17/68/64/823176864.db2.gz PFBXUKMJYNIZHI-OALUTQOASA-N 1 0 381.568 4.270 20 0 GIADRO Cc1nc2c(s1)[C@@H]([N@H+](C)CCC(=O)NCc1ccccc1Cl)CCC2 ZINC000121402433 823178198 /nfs/dbraw/zinc/17/81/98/823178198.db2.gz FMFJCNHPNAHYLU-KRWDZBQOSA-N 1 0 377.941 4.121 20 0 GIADRO Cc1cc(C)n(-c2cccc(NC(=O)NC3CC[NH+](C4CCCCC4)CC3)c2)n1 ZINC000176307502 823178259 /nfs/dbraw/zinc/17/82/59/823178259.db2.gz ZIYKEAGIAFKDSR-UHFFFAOYSA-N 1 0 395.551 4.408 20 0 GIADRO CC[C@@H](C)NC(=O)c1cccc(C[NH2+]Cc2c(C)nc3scc(C4CC4)n23)c1 ZINC000459382287 823178555 /nfs/dbraw/zinc/17/85/55/823178555.db2.gz DAFZDLRUVNZQJL-CQSZACIVSA-N 1 0 396.560 4.400 20 0 GIADRO COc1ccccc1Oc1ccc(NC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000571413941 823179748 /nfs/dbraw/zinc/17/97/48/823179748.db2.gz OYGNUMFLZHMOAZ-BZUAXINKSA-N 1 0 399.466 4.136 20 0 GIADRO CC(=O)Nc1ccc(C)c(C(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000188079606 823183183 /nfs/dbraw/zinc/18/31/83/823183183.db2.gz KBUBBQGEDMLANP-KRWDZBQOSA-N 1 0 393.531 4.115 20 0 GIADRO C[C@H]1CN(c2ccccc2C[NH2+]Cc2ccc(Br)c(F)c2)CCO1 ZINC000459386488 823179880 /nfs/dbraw/zinc/17/98/80/823179880.db2.gz HNLNSMQXZVTCCT-AWEZNQCLSA-N 1 0 393.300 4.103 20 0 GIADRO COc1cccc([C@H]2[C@H](NC(=O)c3coc(C4CCCC4)n3)CCN2C2CC2)c1 ZINC000571421791 823180367 /nfs/dbraw/zinc/18/03/67/823180367.db2.gz ZQMRAYKBJDZVNR-CTNGQTDRSA-N 1 0 395.503 4.049 20 0 GIADRO COc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@H](c3ccc(F)cc3)C[C@@H]2C)c(OC)c1 ZINC000121430964 823183262 /nfs/dbraw/zinc/18/32/62/823183262.db2.gz AHDOOPDKFHGNED-YQQAZPJKSA-N 1 0 386.467 4.048 20 0 GIADRO CC(C)Oc1ccc(NC(=O)NCC[C@@H]2CCC[N@H+](C)C2)c(C(F)(F)F)c1 ZINC000459390124 823180897 /nfs/dbraw/zinc/18/08/97/823180897.db2.gz ORWQHHFDVAZZJO-AWEZNQCLSA-N 1 0 387.446 4.346 20 0 GIADRO CCOc1cc(C[NH2+][C@@H]2CCc3c2cccc3F)cc(Br)c1O ZINC000459389704 823180952 /nfs/dbraw/zinc/18/09/52/823180952.db2.gz HOLOOZJRUWEWMJ-MRXNPFEDSA-N 1 0 380.257 4.470 20 0 GIADRO FC(F)(F)c1cccc(C2(C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)CCOCC2)c1 ZINC000121418873 823181088 /nfs/dbraw/zinc/18/10/88/823181088.db2.gz NZSCWHATFOACHH-OTWHNJEPSA-N 1 0 395.465 4.301 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1C[NH2+]C1CCN(Cc2ccc(F)cc2)CC1 ZINC000459390625 823181172 /nfs/dbraw/zinc/18/11/72/823181172.db2.gz NDGSKNUYZJODLA-UHFFFAOYSA-N 1 0 398.551 4.475 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1CNC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000459395745 823182489 /nfs/dbraw/zinc/18/24/89/823182489.db2.gz BLTHBAABPPVCGZ-IBGZPJMESA-N 1 0 394.588 4.236 20 0 GIADRO Cc1csc([C@@H]([NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)C2CC2)n1 ZINC000188075321 823182459 /nfs/dbraw/zinc/18/24/59/823182459.db2.gz HGDLYCVELKZMOV-RJYAGPCLSA-N 1 0 395.528 4.100 20 0 GIADRO O=C(CC[N@H+](Cc1ccccc1)C[C@H](O)c1ccsc1)Nc1ccccc1F ZINC000176327582 823182646 /nfs/dbraw/zinc/18/26/46/823182646.db2.gz RBWCWQBKWRRJSR-NRFANRHFSA-N 1 0 398.503 4.452 20 0 GIADRO COc1cc(C[N@@H+]2CC[C@H](COC(F)F)C2)ccc1OCc1cccs1 ZINC000571447603 823183920 /nfs/dbraw/zinc/18/39/20/823183920.db2.gz FVUHFYRVRFZWLS-HNNXBMFYSA-N 1 0 383.460 4.397 20 0 GIADRO C[NH2+]CCCN(C)C(=O)c1c2ccccc2nc2c1CCC/C2=C/c1ccco1 ZINC000571449743 823184101 /nfs/dbraw/zinc/18/41/01/823184101.db2.gz YCFSTIFFZGQALT-MSUUIHNZSA-N 1 0 389.499 4.386 20 0 GIADRO Cc1cnc(-c2cccc(NC(=O)N(CC[NH+](C)C)Cc3ccsc3)c2)o1 ZINC000459400774 823184118 /nfs/dbraw/zinc/18/41/18/823184118.db2.gz NEWCICGTWIAJTI-UHFFFAOYSA-N 1 0 384.505 4.307 20 0 GIADRO CCc1nc2ccccc2n1C1CC[NH+](Cc2ccccc2OCCOC)CC1 ZINC000571448642 823184262 /nfs/dbraw/zinc/18/42/62/823184262.db2.gz PNNINYOKTHVKME-UHFFFAOYSA-N 1 0 393.531 4.461 20 0 GIADRO [NH3+]CC[C@H]1CCCCN1C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 ZINC000571449245 823184287 /nfs/dbraw/zinc/18/42/87/823184287.db2.gz OMZHYOVHEGJSTJ-GFCCVEGCSA-N 1 0 384.332 4.460 20 0 GIADRO CC[N@@H+]1CC[C@@H](CNC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC000121440269 823184948 /nfs/dbraw/zinc/18/49/48/823184948.db2.gz BQSSGCMBJVJYRW-ZDUSSCGKSA-N 1 0 396.318 4.039 20 0 GIADRO COc1ccccc1N1CCC([NH2+]Cc2cc(O)cc(C(F)(F)F)c2)CC1 ZINC000571452156 823184953 /nfs/dbraw/zinc/18/49/53/823184953.db2.gz OOIRNXVISDWQJO-UHFFFAOYSA-N 1 0 380.410 4.178 20 0 GIADRO C[N@H+](CCOc1cccc(C[NH2+]Cc2ccc(C3CC3)cc2)c1)C1CCOCC1 ZINC000459403773 823185092 /nfs/dbraw/zinc/18/50/92/823185092.db2.gz LQEVWFFLHHEPCM-UHFFFAOYSA-N 1 0 394.559 4.343 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+]C2CCN(c3cccc(C)n3)CC2)[C@H]1Sc1ccccc1 ZINC000459403480 823185304 /nfs/dbraw/zinc/18/53/04/823185304.db2.gz BVAGHSZZIRNYTB-QZNHQXDQSA-N 1 0 397.588 4.287 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1cnccc1NC(=O)OC(C)(C)C ZINC000188094998 823185437 /nfs/dbraw/zinc/18/54/37/823185437.db2.gz MLAMQABTDBXLLJ-UHFFFAOYSA-N 1 0 384.480 4.051 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1C[NH2+]CCCC(=O)N1CCc2ccccc21 ZINC000459404812 823185547 /nfs/dbraw/zinc/18/55/47/823185547.db2.gz RNWQIKRPZVIHTH-UHFFFAOYSA-N 1 0 394.544 4.041 20 0 GIADRO O=C(NC1CC[NH+](C2CCCC2)CC1)C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000188100042 823186502 /nfs/dbraw/zinc/18/65/02/823186502.db2.gz LRFDMIXZRAILNB-UHFFFAOYSA-N 1 0 380.454 4.260 20 0 GIADRO C[C@@H]([NH2+]CCc1cn[nH]c1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000459410588 823187008 /nfs/dbraw/zinc/18/70/08/823187008.db2.gz SNRXBHABSKTOBS-LLVKDONJSA-N 1 0 377.311 4.189 20 0 GIADRO CN1CC[C@H]([NH2+][C@H](Cn2ccccc2=O)c2ccccc2)C[C@H]1c1ccccc1 ZINC000571466602 823186953 /nfs/dbraw/zinc/18/69/53/823186953.db2.gz BUINKQLJNWEWIH-VXNXHJTFSA-N 1 0 387.527 4.015 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)C1(Cc2ccccc2Cl)CC1 ZINC000188104107 823187132 /nfs/dbraw/zinc/18/71/32/823187132.db2.gz IYMWCCZSYNFPAE-UHFFFAOYSA-N 1 0 383.923 4.091 20 0 GIADRO CC(=O)Nc1ccc(C)c(C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)c1 ZINC000188105326 823187300 /nfs/dbraw/zinc/18/73/00/823187300.db2.gz ZRNNOVFPZUBPSB-GOSISDBHSA-N 1 0 393.531 4.258 20 0 GIADRO Cc1cc(NC(=O)Nc2cccc(C[NH+](C)C)c2)ccc1OC1CCOCC1 ZINC000121455476 823187805 /nfs/dbraw/zinc/18/78/05/823187805.db2.gz JECGDEQULYVQQD-UHFFFAOYSA-N 1 0 383.492 4.258 20 0 GIADRO COc1ccc(COC[C@H](O)C[NH2+][C@@H](C)c2ccc3ccccc3c2)cc1OC ZINC000121500859 823195345 /nfs/dbraw/zinc/19/53/45/823195345.db2.gz WJSNSDDYWCOOEJ-HTAPYJJXSA-N 1 0 395.499 4.085 20 0 GIADRO COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]C[C@](C)(O)Cc1ccc(OC)c(OC)c1 ZINC000571486860 823190227 /nfs/dbraw/zinc/19/02/27/823190227.db2.gz PZQSWGGMSVJQRJ-GBXCKJPGSA-N 1 0 399.531 4.018 20 0 GIADRO COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]C[C@@](C)(O)Cc1ccc(OC)c(OC)c1 ZINC000571486862 823190270 /nfs/dbraw/zinc/19/02/70/823190270.db2.gz PZQSWGGMSVJQRJ-RDPSFJRHSA-N 1 0 399.531 4.018 20 0 GIADRO CCC1(CC)Oc2ccc(NC(=O)N3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cc2O1 ZINC000188127714 823190695 /nfs/dbraw/zinc/19/06/95/823190695.db2.gz NZYFVHFDAGENML-APWZRJJASA-N 1 0 399.535 4.455 20 0 GIADRO CCC(CC)C(=O)N1CCC([NH2+][C@H](C)Cc2ccc(Br)cc2)CC1 ZINC000188133031 823191445 /nfs/dbraw/zinc/19/14/45/823191445.db2.gz BGOJWMZKIBGLOO-OAHLLOKOSA-N 1 0 395.385 4.397 20 0 GIADRO C[C@@H]1CN(c2ccccc2C[NH2+]C[C@@H]2CCCN(C)[C@H]2c2cccs2)CCO1 ZINC000459434480 823191566 /nfs/dbraw/zinc/19/15/66/823191566.db2.gz OTESZCITSAXNDO-QMHWCDLVSA-N 1 0 399.604 4.146 20 0 GIADRO COc1ccc(-c2ccccc2C)cc1C[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000459437006 823191847 /nfs/dbraw/zinc/19/18/47/823191847.db2.gz GHOFRLBHHNAVNU-OAQYLSRUSA-N 1 0 381.516 4.488 20 0 GIADRO C[C@@H]1CN(c2ccccc2CNc2cccc(CC[NH+]3CCCC3)c2)CCO1 ZINC000459438640 823192325 /nfs/dbraw/zinc/19/23/25/823192325.db2.gz JDSFUWCIDVEWJG-HXUWFJFHSA-N 1 0 379.548 4.162 20 0 GIADRO C[C@H]1CN(c2ccccc2CNc2cccc(CC[NH+]3CCCC3)c2)CCO1 ZINC000459438637 823192349 /nfs/dbraw/zinc/19/23/49/823192349.db2.gz JDSFUWCIDVEWJG-FQEVSTJZSA-N 1 0 379.548 4.162 20 0 GIADRO Cc1nccn1C[C@@H](C)C[NH2+][C@@H]1CCSc2ccc(Br)cc21 ZINC000121482809 823192463 /nfs/dbraw/zinc/19/24/63/823192463.db2.gz FUVDHSIRLYWCIA-BLLLJJGKSA-N 1 0 380.355 4.417 20 0 GIADRO C[C@H](CN1CCCC1=O)[NH2+][C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC000188140470 823192553 /nfs/dbraw/zinc/19/25/53/823192553.db2.gz GRAUZSWIGAJNPU-QRWLVFNGSA-N 1 0 387.321 4.139 20 0 GIADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)Nc3ccc(F)cc3)cc2)[C@@H]1SC ZINC000459443484 823193024 /nfs/dbraw/zinc/19/30/24/823193024.db2.gz QCJLAJKKPMORJN-AQNXPRMDSA-N 1 0 388.508 4.077 20 0 GIADRO CC(C)c1ccc(NC(=O)C(=O)NC2CC[NH+](C3CCCC3)CC2)c(C(C)C)c1 ZINC000176374517 823193737 /nfs/dbraw/zinc/19/37/37/823193737.db2.gz FCDKEVDIBMLPKO-UHFFFAOYSA-N 1 0 399.579 4.395 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+][C@H](CCO)c2ccc(OC)cc2)[C@H]1Sc1ccccc1 ZINC000459446363 823193912 /nfs/dbraw/zinc/19/39/12/823193912.db2.gz FGQVFGXIJVSTLP-CIAFKFPVSA-N 1 0 387.545 4.047 20 0 GIADRO CC(=O)Nc1c(C)ccc(NC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c1C ZINC000056691470 823194153 /nfs/dbraw/zinc/19/41/53/823194153.db2.gz WKEICAJTYFYVQU-OAQYLSRUSA-N 1 0 394.519 4.220 20 0 GIADRO CCc1nn(C)c(CC)c1C[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459449360 823194429 /nfs/dbraw/zinc/19/44/29/823194429.db2.gz YXELISJKHJCDOO-UHFFFAOYSA-N 1 0 392.551 4.208 20 0 GIADRO c1[nH]c2ncccc2c1CC[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459452765 823194838 /nfs/dbraw/zinc/19/48/38/823194838.db2.gz SBIYHIVCGSCLQG-UHFFFAOYSA-N 1 0 386.503 4.269 20 0 GIADRO CC[C@H](C)n1ncc(NC(=O)N(CC[NH+](C)C)Cc2ccsc2)c1C1CC1 ZINC000459452816 823194912 /nfs/dbraw/zinc/19/49/12/823194912.db2.gz CPOPRTBUASOLCU-HNNXBMFYSA-N 1 0 389.569 4.389 20 0 GIADRO CC[C@H](C)n1c2ccc(NC(=O)N[C@H]3CC[C@H](C[NH3+])C3)cc2nc1C(F)(F)F ZINC000571533464 823197222 /nfs/dbraw/zinc/19/72/22/823197222.db2.gz KXIAWQGGGZDFCB-AVGNSLFASA-N 1 0 397.445 4.275 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1C[N@@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000459462348 823197204 /nfs/dbraw/zinc/19/72/04/823197204.db2.gz LCPLIPCEBPNXJN-KRWDZBQOSA-N 1 0 377.517 4.378 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)N[C@H]2CCOc3c(F)cccc32)CC[N@@H+]1Cc1ccccc1 ZINC000188171091 823197518 /nfs/dbraw/zinc/19/75/18/823197518.db2.gz REIJRODXVVKIAN-BLIXFSHQSA-N 1 0 397.494 4.002 20 0 GIADRO CCOc1ncccc1C[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459464975 823197811 /nfs/dbraw/zinc/19/78/11/823197811.db2.gz MXMIXQNJOLFRCC-UHFFFAOYSA-N 1 0 377.492 4.144 20 0 GIADRO CC(C)c1cc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc(=O)[nH]1 ZINC000121535143 823201229 /nfs/dbraw/zinc/20/12/29/823201229.db2.gz ADVRDLCQKITDOY-PXNSSMCTSA-N 1 0 381.520 4.036 20 0 GIADRO Cc1ccnc(Oc2cc(NC(=O)N3CCC[C@H]4C[N@@H+](C)C[C@H]43)ccc2C)c1 ZINC000571552815 823199496 /nfs/dbraw/zinc/19/94/96/823199496.db2.gz GCYLILKOKZLMDJ-PKOBYXMFSA-N 1 0 380.492 4.049 20 0 GIADRO COCCCn1c(SCCC[NH+]2CCCC2)nnc1-c1ccccc1Cl ZINC000188185535 823200076 /nfs/dbraw/zinc/20/00/76/823200076.db2.gz ZORSCFDUUSLQHG-UHFFFAOYSA-N 1 0 394.972 4.213 20 0 GIADRO CC[NH+]1C[C@H](C)N(CC(=O)Nc2ccccc2Oc2ccc(C)cc2)[C@@H](C)C1 ZINC000459476863 823200475 /nfs/dbraw/zinc/20/04/75/823200475.db2.gz LXTLXDOIWKOCDY-OALUTQOASA-N 1 0 381.520 4.140 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccc(-n3nc(C)cc3C)cc2)C1)CC(F)(F)F ZINC000176403322 823200788 /nfs/dbraw/zinc/20/07/88/823200788.db2.gz TYYLYCLQITZNSZ-IBGZPJMESA-N 1 0 394.485 4.195 20 0 GIADRO O=C(C[NH2+][C@H](CC1CC1)c1cc(F)cc(Br)c1)Nc1nccs1 ZINC000188192702 823201429 /nfs/dbraw/zinc/20/14/29/823201429.db2.gz SCUBOCLVWCLEPI-CQSZACIVSA-N 1 0 398.301 4.114 20 0 GIADRO CCOc1ccc(NC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1F ZINC000056703153 823196068 /nfs/dbraw/zinc/19/60/68/823196068.db2.gz OXBASPPVUMQCPD-MRXNPFEDSA-N 1 0 377.485 4.245 20 0 GIADRO COc1ccc(-c2ccccc2C)cc1C[NH2+][C@H]1CCCO[C@@H]1c1cnn(C)c1 ZINC000459482484 823201595 /nfs/dbraw/zinc/20/15/95/823201595.db2.gz CJBOWFBYCCSPHI-LADGPHEKSA-N 1 0 391.515 4.414 20 0 GIADRO CC(C)C[C@@H](C)n1nccc1NC(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000459482263 823201687 /nfs/dbraw/zinc/20/16/87/823201687.db2.gz APIOYQUUIFLLEQ-MRXNPFEDSA-N 1 0 377.558 4.147 20 0 GIADRO Cc1nc(-c2cccc(NC(=O)NC[C@@H](c3ccsc3)[NH+](C)C)c2)oc1C ZINC000056731346 823201848 /nfs/dbraw/zinc/20/18/48/823201848.db2.gz OQGPGGKXGMSMBP-SFHVURJKSA-N 1 0 384.505 4.444 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2cc(Br)cs2)C1)CC(F)(F)F ZINC000176408203 823202028 /nfs/dbraw/zinc/20/20/28/823202028.db2.gz FKSIEZYNYKSWOR-LLVKDONJSA-N 1 0 385.293 4.217 20 0 GIADRO CCOc1cc(C[NH2+]CCC2CCC(OC)CC2)cc(Br)c1O ZINC000459483147 823202090 /nfs/dbraw/zinc/20/20/90/823202090.db2.gz MAEMDJGZPGSMFR-UHFFFAOYSA-N 1 0 386.330 4.238 20 0 GIADRO Cc1nc(-c2cccc(NC(=O)NCc3cccc(C[NH+](C)C)c3)c2)oc1C ZINC000056731431 823202201 /nfs/dbraw/zinc/20/22/01/823202201.db2.gz VKMKRMLLNLGTMX-UHFFFAOYSA-N 1 0 378.476 4.342 20 0 GIADRO COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@@H]3CCc4c3cc(F)cc4F)C2)c1 ZINC000121541629 823202706 /nfs/dbraw/zinc/20/27/06/823202706.db2.gz WOVXQRWKBCPEBP-JLCFBVMHSA-N 1 0 388.458 4.085 20 0 GIADRO [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)N(c3ccccc3)c3ccccc3)CC2)C1 ZINC000571582294 823203584 /nfs/dbraw/zinc/20/35/84/823203584.db2.gz PBKDETXYIKJDAQ-KNQAVFIVSA-N 1 0 379.504 4.163 20 0 GIADRO COc1ccccc1[C@H](N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000121564081 823206637 /nfs/dbraw/zinc/20/66/37/823206637.db2.gz HIKIMIUGVGRKHQ-QVNIBDNGSA-N 1 0 387.527 4.432 20 0 GIADRO C[NH+](C)Cc1c2ccccc2oc1C(=O)Nc1cc(Br)ccc1O ZINC000176433733 823206683 /nfs/dbraw/zinc/20/66/83/823206683.db2.gz QFHCPYGGYPECKT-UHFFFAOYSA-N 1 0 389.249 4.215 20 0 GIADRO CSc1c(F)cc(NC(=O)N(CC[NH+](C)C)Cc2ccsc2)cc1F ZINC000459496335 823204431 /nfs/dbraw/zinc/20/44/31/823204431.db2.gz GUPXUEOPQDJCLB-UHFFFAOYSA-N 1 0 385.505 4.344 20 0 GIADRO CC[C@@H](C)[NH2+][C@H](CNC(=O)CCc1ncc(-c2ccc(C)cc2)o1)c1ccco1 ZINC000571593583 823204930 /nfs/dbraw/zinc/20/49/30/823204930.db2.gz JDGGIDKNGNTRAW-IEBWSBKVSA-N 1 0 395.503 4.421 20 0 GIADRO COC[C@@H](C)Oc1ccc(Cl)cc1NC1CCN(c2cc[nH+]cc2)CC1 ZINC000459500469 823205485 /nfs/dbraw/zinc/20/54/85/823205485.db2.gz YFRDPUVEVXALQZ-OAHLLOKOSA-N 1 0 375.900 4.230 20 0 GIADRO COc1ccc(-c2ccccc2C)cc1C[NH+]1CCC(Cn2cncn2)CC1 ZINC000459500791 823205490 /nfs/dbraw/zinc/20/54/90/823205490.db2.gz NRLOIWARXBMNRH-UHFFFAOYSA-N 1 0 376.504 4.174 20 0 GIADRO O=C(Nc1ccccc1COc1ccccc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000056748273 823206330 /nfs/dbraw/zinc/20/63/30/823206330.db2.gz JKFQKKAGMXXSFG-UHFFFAOYSA-N 1 0 388.471 4.015 20 0 GIADRO C[N@@H+]1CC[C@H](NC(=O)c2c(F)cc(C(F)(F)F)cc2F)[C@H]1c1ccccc1 ZINC000571607770 823207658 /nfs/dbraw/zinc/20/76/58/823207658.db2.gz UQZYEQDSHMORDT-DOTOQJQBSA-N 1 0 384.348 4.159 20 0 GIADRO COc1c(Cl)cccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000056755912 823207619 /nfs/dbraw/zinc/20/76/19/823207619.db2.gz TUOHBDGUISCUKU-UHFFFAOYSA-N 1 0 379.863 4.083 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CC(C)(C)[C@@H]2[C@@H]2CCCO2)cc1 ZINC000571609273 823208113 /nfs/dbraw/zinc/20/81/13/823208113.db2.gz PZYOYUQBOXHUBV-COPCDDAFSA-N 1 0 399.579 4.160 20 0 GIADRO C[C@H](O)C[C@@H](C[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1Cl)c1ccccc1 ZINC000121571916 823208594 /nfs/dbraw/zinc/20/85/94/823208594.db2.gz LAXYBTQCEPPJPY-BQFCYCMXSA-N 1 0 384.911 4.126 20 0 GIADRO CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cnn(C(C)C)c3C2)[C@H]1Sc1ccccc1 ZINC000459515255 823208965 /nfs/dbraw/zinc/20/89/65/823208965.db2.gz GXVFKHKGBVJMJV-RGMHLJPOSA-N 1 0 385.577 4.249 20 0 GIADRO O=C(Nc1cccc(-c2nccs2)c1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000056778367 823212286 /nfs/dbraw/zinc/21/22/86/823212286.db2.gz KYKJVCGJNNKFIC-IBGZPJMESA-N 1 0 378.501 4.206 20 0 GIADRO C[C@@H](NC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)c1nc2ccccc2[nH]1 ZINC000056764370 823209090 /nfs/dbraw/zinc/20/90/90/823209090.db2.gz KXUVVVUEXSKLRD-QGZVFWFLSA-N 1 0 391.519 4.474 20 0 GIADRO CC1CC[NH+]([C@H](CNC(=O)CCc2ncc(C(C)(C)C)o2)c2ccccc2)CC1 ZINC000188250511 823209397 /nfs/dbraw/zinc/20/93/97/823209397.db2.gz PEEMVBOSTIUWJU-HXUWFJFHSA-N 1 0 397.563 4.494 20 0 GIADRO CC[N@H+](CCNC(=O)Nc1cc(Cl)cc2cccnc21)CCC(F)(F)F ZINC000571616563 823209805 /nfs/dbraw/zinc/20/98/05/823209805.db2.gz WBVYVNWNWCNGIQ-UHFFFAOYSA-N 1 0 388.821 4.284 20 0 GIADRO COc1ccc([C@H](C)[NH2+]C[C@@H](C[C@H](C)O)c2ccccc2)cc1Cn1cccn1 ZINC000121592149 823212427 /nfs/dbraw/zinc/21/24/27/823212427.db2.gz KEUXXOOIMDANMJ-CNNODRBYSA-N 1 0 393.531 4.145 20 0 GIADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1cc(-c2ccccc2Cl)n(-c2ccccc2)n1 ZINC000571634199 823212519 /nfs/dbraw/zinc/21/25/19/823212519.db2.gz WKYSHXBODWYUAK-HOTGVXAUSA-N 1 0 394.906 4.002 20 0 GIADRO Cc1nc(NC(=O)CCCC[NH+](C)C)sc1Cc1ccc(F)c(F)c1F ZINC000571626383 823211144 /nfs/dbraw/zinc/21/11/44/823211144.db2.gz MIJIUWUXCLEJQB-UHFFFAOYSA-N 1 0 385.455 4.130 20 0 GIADRO OCC1CC[NH+](Cc2cccc(NCc3ccc4c(c3)OCCCCO4)c2)CC1 ZINC000571628324 823211688 /nfs/dbraw/zinc/21/16/88/823211688.db2.gz BVSNVDYSAJFSAY-UHFFFAOYSA-N 1 0 396.531 4.054 20 0 GIADRO COc1ccc(Br)cc1-c1nc(CNC(C)(C)C[NH+](C)C)cs1 ZINC000459530910 823212826 /nfs/dbraw/zinc/21/28/26/823212826.db2.gz BWWAPPHEQULSFN-UHFFFAOYSA-N 1 0 398.370 4.011 20 0 GIADRO CCc1ccc([C@@H](CNC(=O)Nc2ccc(-c3csnn3)cc2)[NH+](C)C)cc1 ZINC000056786676 823213111 /nfs/dbraw/zinc/21/31/11/823213111.db2.gz UYNWNBHAPYWSLZ-HXUWFJFHSA-N 1 0 395.532 4.192 20 0 GIADRO COc1ccc([C@H]2C[C@H]([NH2+]Cc3ccccc3N3CCO[C@@H](C)C3)C2)cc1F ZINC000459549481 823217889 /nfs/dbraw/zinc/21/78/89/823217889.db2.gz WCACREUASSVRSO-VDGAXYAQSA-N 1 0 384.495 4.095 20 0 GIADRO CC(=O)N1CCC[C@H](C[NH2+]C/C=C\c2ccc(OCc3ccccc3)cc2)C1 ZINC000459533287 823213586 /nfs/dbraw/zinc/21/35/86/823213586.db2.gz SMQASFPLHWYZOY-YNCGVASMSA-N 1 0 378.516 4.127 20 0 GIADRO [NH3+]CCN(CCc1ccccc1)Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000571643012 823213675 /nfs/dbraw/zinc/21/36/75/823213675.db2.gz WZVLGGXIWSQUIL-UHFFFAOYSA-N 1 0 389.547 4.064 20 0 GIADRO O=C(N[C@@H](c1cccc(Cl)c1)c1ccccn1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000121623483 823217940 /nfs/dbraw/zinc/21/79/40/823217940.db2.gz WXUAOQDUMYQBOR-FPOVZHCZSA-N 1 0 398.938 4.094 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC(=O)N(Cc3ccccc3)C1)CCCS2 ZINC000188281096 823213909 /nfs/dbraw/zinc/21/39/09/823213909.db2.gz PJAYGCSBWYARHL-GHTZIAJQSA-N 1 0 396.556 4.261 20 0 GIADRO O=C(CCCCCc1ccc(F)cc1)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000188281504 823213953 /nfs/dbraw/zinc/21/39/53/823213953.db2.gz JLTZRKIPRROJNQ-UHFFFAOYSA-N 1 0 383.511 4.104 20 0 GIADRO COc1ccc(C[C@@H](C)C[NH2+][C@H](c2ncc[nH]2)c2ccc(F)cc2)cc1OC ZINC000188285825 823214457 /nfs/dbraw/zinc/21/44/57/823214457.db2.gz RGDICGUVDLCIIM-VFNWGFHPSA-N 1 0 383.467 4.124 20 0 GIADRO O=C(C[NH+]1CCC2(CC1)OCCc1ccccc12)Nc1cccc2ccccc21 ZINC000459537115 823214754 /nfs/dbraw/zinc/21/47/54/823214754.db2.gz ZGQOGGUPBKLUAF-UHFFFAOYSA-N 1 0 386.495 4.342 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)Nc2ccc(-c3nncs3)cc2)C1 ZINC000459538728 823215340 /nfs/dbraw/zinc/21/53/40/823215340.db2.gz DWOHOWICZOUYAQ-IYBDPMFKSA-N 1 0 387.553 4.085 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCCSc3ccc(Cl)cc32)[C@H]1n1cccn1 ZINC000571662064 823215808 /nfs/dbraw/zinc/21/58/08/823215808.db2.gz DLFIFFAUFUJAJW-IMBTUZDBSA-N 1 0 377.941 4.472 20 0 GIADRO Cc1ccc([C@@H](OC[C@@H](O)C[N@H+](C)CCc2ccccn2)c2ccccc2)cc1 ZINC000121625184 823218226 /nfs/dbraw/zinc/21/82/26/823218226.db2.gz HCQZYFSRISIMDG-DQEYMECFSA-N 1 0 390.527 4.031 20 0 GIADRO CCOc1cc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)cc(Cl)c1O ZINC000459544790 823216687 /nfs/dbraw/zinc/21/66/87/823216687.db2.gz KENNVGSRGSPTHS-WSTZPKSXSA-N 1 0 387.907 4.449 20 0 GIADRO CCOCC[C@@H](O)C[NH2+][C@@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC000571671141 823217020 /nfs/dbraw/zinc/21/70/20/823217020.db2.gz SYDZRTIVCOGJEZ-RTBURBONSA-N 1 0 396.300 4.055 20 0 GIADRO Oc1cccc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)c1Br ZINC000459545470 823217026 /nfs/dbraw/zinc/21/70/26/823217026.db2.gz LRNZCSSBBSCXTA-FGTMMUONSA-N 1 0 388.305 4.159 20 0 GIADRO O=C(CC[NH2+][C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)Nc1cccc(Cl)c1 ZINC000571671560 823217046 /nfs/dbraw/zinc/21/70/46/823217046.db2.gz ATFLUFMYSYBNEE-IEBWSBKVSA-N 1 0 376.859 4.318 20 0 GIADRO COc1ccc([C@@H](CNC(=O)c2oc(CC(C)C)nc2C)[NH+]2CCCCC2)cc1 ZINC000188306367 823217283 /nfs/dbraw/zinc/21/72/83/823217283.db2.gz JZAOFKAYVXOOFE-HXUWFJFHSA-N 1 0 399.535 4.147 20 0 GIADRO COc1cccc(C2CCN(C(=O)NC3CC[NH+](C4CCCCC4)CC3)CC2)c1 ZINC000176489328 823219560 /nfs/dbraw/zinc/21/95/60/823219560.db2.gz WACSNIPUSWRDSM-UHFFFAOYSA-N 1 0 399.579 4.381 20 0 GIADRO CCOc1cc(C[N@@H+]2CCC[C@](CO)(Cc3ccccc3)C2)cc(Cl)c1O ZINC000459555784 823219662 /nfs/dbraw/zinc/21/96/62/823219662.db2.gz IPOCXVXSJRCOEW-QFIPXVFZSA-N 1 0 389.923 4.262 20 0 GIADRO CC[C@@H](C)[NH2+][C@H](CNC(=O)c1cc(C)sc1Br)c1ccco1 ZINC000571712957 823222958 /nfs/dbraw/zinc/22/29/58/823222958.db2.gz FDMIJGGZAFNZGQ-ZWNOBZJWSA-N 1 0 385.327 4.271 20 0 GIADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000176491399 823219817 /nfs/dbraw/zinc/21/98/17/823219817.db2.gz XYDWOUZZDMGXAA-FQEVSTJZSA-N 1 0 399.535 4.059 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1C[NH2+][C@@H](c1cccs1)C(C)(C)CO ZINC000459556949 823219865 /nfs/dbraw/zinc/21/98/65/823219865.db2.gz BYFJBBJTOMEJID-KRWDZBQOSA-N 1 0 375.563 4.493 20 0 GIADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)N(Cc1ccc(O)cc1)CC1CC1 ZINC000176490666 823219934 /nfs/dbraw/zinc/21/99/34/823219934.db2.gz DASDJVFLGYGTLH-UHFFFAOYSA-N 1 0 385.552 4.111 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H](C)c2ccc(OCc3nccn3C)cc2)c1 ZINC000121636638 823220141 /nfs/dbraw/zinc/22/01/41/823220141.db2.gz BPXURVJQPVOAQG-IRXDYDNUSA-N 1 0 392.503 4.369 20 0 GIADRO NC(=O)C1CC[NH+](Cc2cccc(N[C@H]3CC[C@@H](Cc4ccccc4)C3)c2)CC1 ZINC000188331490 823220654 /nfs/dbraw/zinc/22/06/54/823220654.db2.gz AIGVLYDJTZAUFZ-RDPSFJRHSA-N 1 0 391.559 4.207 20 0 GIADRO Cc1cc(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)sc1-c1ccccc1 ZINC000571698548 823220690 /nfs/dbraw/zinc/22/06/90/823220690.db2.gz RPCQQEHQESRLSB-CEXWTWQISA-N 1 0 384.545 4.047 20 0 GIADRO CC(C)[C@@H](CNC(=O)C(C)(C)Cc1nc2ccccc2[nH]1)[NH+]1CCC(C)CC1 ZINC000409451681 823221488 /nfs/dbraw/zinc/22/14/88/823221488.db2.gz CYGNFZZAUCHFKE-HXUWFJFHSA-N 1 0 384.568 4.004 20 0 GIADRO C[C@H](NC(=O)N1CCC(CC[NH+](C)C)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000056844801 823222468 /nfs/dbraw/zinc/22/24/68/823222468.db2.gz GYQFJTROHRKSRS-AWEZNQCLSA-N 1 0 387.446 4.020 20 0 GIADRO O[C@@H]1CC[C@H]2C[N@H+](Cc3cn(C4CCCC4)nc3-c3ccccn3)CC[C@H]2C1 ZINC000459570621 823222540 /nfs/dbraw/zinc/22/25/40/823222540.db2.gz MPZXISQFDWKNLZ-BBTUJRGHSA-N 1 0 380.536 4.043 20 0 GIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cc(Cl)cc3cccnc32)C1 ZINC000409454679 823222723 /nfs/dbraw/zinc/22/27/23/823222723.db2.gz SYDCFOGOAXNCLW-KXBFYZLASA-N 1 0 379.891 4.454 20 0 GIADRO Cc1nc(CN2C[C@@H](F)C[C@H]2C[NH2+][C@H](C)CCc2ccc(F)cc2F)cs1 ZINC000571687015 823218811 /nfs/dbraw/zinc/21/88/11/823218811.db2.gz MTBIYDOTTMPQGC-FMEYXAORSA-N 1 0 397.510 4.253 20 0 GIADRO Cc1ccc(OC2CCN(C(=O)NC3CC[NH+](C4CCCCC4)CC3)CC2)cc1 ZINC000176486224 823218894 /nfs/dbraw/zinc/21/88/94/823218894.db2.gz LMWCNFHRBHRWJM-UHFFFAOYSA-N 1 0 399.579 4.345 20 0 GIADRO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000459600754 823227968 /nfs/dbraw/zinc/22/79/68/823227968.db2.gz UTQHRRQZOFEUTC-UHFFFAOYSA-N 1 0 376.504 4.331 20 0 GIADRO Cc1noc(C2C[NH+](Cc3ccc(-c4ccccc4Br)cc3)C2)n1 ZINC000459604315 823228456 /nfs/dbraw/zinc/22/84/56/823228456.db2.gz JSKICDBBWGDQIW-UHFFFAOYSA-N 1 0 384.277 4.407 20 0 GIADRO CON1CCC([N@H+](C)Cc2csc(-c3ccc(Br)cc3)n2)CC1 ZINC000459579994 823224609 /nfs/dbraw/zinc/22/46/09/823224609.db2.gz LBXOGWAVPUSLMB-UHFFFAOYSA-N 1 0 396.354 4.030 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000409462214 823225146 /nfs/dbraw/zinc/22/51/46/823225146.db2.gz DMDMDGSJPXPHDU-VPWXQRGCSA-N 1 0 396.934 4.328 20 0 GIADRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C(C)(C)Cc2nc3ccccc3[nH]2)C1 ZINC000409463176 823225454 /nfs/dbraw/zinc/22/54/54/823225454.db2.gz JBEMPUVGWDQBTH-ROUUACIJSA-N 1 0 384.568 4.006 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)NCc2c(Cl)cccc2-n2ccnc2)cc1 ZINC000571725361 823225498 /nfs/dbraw/zinc/22/54/98/823225498.db2.gz NXFGZWZPHSSFOJ-UHFFFAOYSA-N 1 0 396.922 4.298 20 0 GIADRO Cc1c(NC(=O)N(CC[NH+](C)C)Cc2ccsc2)cccc1-c1ncco1 ZINC000459591243 823226254 /nfs/dbraw/zinc/22/62/54/823226254.db2.gz KUGLWMIXXYWFCI-UHFFFAOYSA-N 1 0 384.505 4.307 20 0 GIADRO C[NH+](C)CCOc1cccc(CNC(=O)c2sccc2-c2ccccc2)c1 ZINC000056890571 823228471 /nfs/dbraw/zinc/22/84/71/823228471.db2.gz KRJMMFGFXHAPST-UHFFFAOYSA-N 1 0 380.513 4.286 20 0 GIADRO COC(=O)c1ccccc1CC[N@@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000459598763 823227369 /nfs/dbraw/zinc/22/73/69/823227369.db2.gz WAHOFWLARKVVAF-GOSISDBHSA-N 1 0 389.293 4.010 20 0 GIADRO C[C@@H](C(=O)NCc1cccc(OCC[NH+](C)C)c1)c1ccc(C(F)(F)F)cc1 ZINC000409470361 823227700 /nfs/dbraw/zinc/22/77/00/823227700.db2.gz SHKXLAQBZGOMRG-OAHLLOKOSA-N 1 0 394.437 4.066 20 0 GIADRO [NH3+]C1(CNC(=O)Nc2ccc(Oc3cccnc3)cc2)C2CC3CC(C2)CC1C3 ZINC000571743822 823228411 /nfs/dbraw/zinc/22/84/11/823228411.db2.gz SDHIYYMSPVXLJF-UHFFFAOYSA-N 1 0 392.503 4.149 20 0 GIADRO F[C@@H](C(F)(F)F)C(F)(F)Oc1ccc(C[NH+]2CC3(C2)CCOCC3)cc1 ZINC000459611359 823229322 /nfs/dbraw/zinc/22/93/22/823229322.db2.gz CWHQCMXDMQIQBZ-AWEZNQCLSA-N 1 0 383.332 4.171 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2Cl)c1 ZINC000121681333 823229588 /nfs/dbraw/zinc/22/95/88/823229588.db2.gz MNUSMAKLDHQYMQ-KGLIPLIRSA-N 1 0 383.883 4.291 20 0 GIADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccn1-c1c(Cl)cccc1Cl ZINC000409478595 823230092 /nfs/dbraw/zinc/23/00/92/823230092.db2.gz GDBRHGMXMZXZHB-UONOGXRCSA-N 1 0 378.303 4.141 20 0 GIADRO Cc1ccccc1[C@H]([NH3+])C(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000571758279 823230946 /nfs/dbraw/zinc/23/09/46/823230946.db2.gz MQJYSLHEFRMMRR-IBGZPJMESA-N 1 0 383.879 4.196 20 0 GIADRO Cc1ccccc1[C@@H]([NH3+])C(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000571758280 823231062 /nfs/dbraw/zinc/23/10/62/823231062.db2.gz MQJYSLHEFRMMRR-LJQANCHMSA-N 1 0 383.879 4.196 20 0 GIADRO COc1cccc(OC)c1OCCCC[NH2+][C@@H](C)c1nc2c(s1)CCC2 ZINC000459631250 823233030 /nfs/dbraw/zinc/23/30/30/823233030.db2.gz KAXBUYBMOCTZAK-AWEZNQCLSA-N 1 0 376.522 4.159 20 0 GIADRO CC(C)Oc1ccc(CC[C@H](C)NC(=O)N2CCC(CC[NH+](C)C)CC2)cc1 ZINC000056914161 823231652 /nfs/dbraw/zinc/23/16/52/823231652.db2.gz HVZBWJXQYDIASM-IBGZPJMESA-N 1 0 389.584 4.168 20 0 GIADRO [NH3+]C1(C(=O)Nc2cccc(NC(=O)Nc3cccc4c3CCCC4)c2)CCC1 ZINC000571763613 823231790 /nfs/dbraw/zinc/23/17/90/823231790.db2.gz MCKTUUWLJDNRFP-UHFFFAOYSA-N 1 0 378.476 4.029 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)c1nc2c(s1)CCC2 ZINC000459629186 823232353 /nfs/dbraw/zinc/23/23/53/823232353.db2.gz DFOWQEOSYWMJCV-GHMZBOCLSA-N 1 0 387.332 4.029 20 0 GIADRO O[C@@H](C[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1 ZINC000121676864 823228612 /nfs/dbraw/zinc/22/86/12/823228612.db2.gz IGAFTCIICZICDS-FQEVSTJZSA-N 1 0 379.331 4.281 20 0 GIADRO COC[C@H]([NH2+]C[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000571782163 823233651 /nfs/dbraw/zinc/23/36/51/823233651.db2.gz SKPIPOLENNYJKG-YYWHXJBOSA-N 1 0 376.903 4.449 20 0 GIADRO CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)[NH2+][C@@H](C)CCCc1cccnc1 ZINC000459645714 823237425 /nfs/dbraw/zinc/23/74/25/823237425.db2.gz RFDUPCHVKBVNMP-JKSUJKDBSA-N 1 0 393.487 4.358 20 0 GIADRO COc1ccc(NC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)cc1SC ZINC000459646531 823237644 /nfs/dbraw/zinc/23/76/44/823237644.db2.gz ANKKJROPHYOZMM-MRXNPFEDSA-N 1 0 393.940 4.495 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl)c1nc2c(s1)CCC2 ZINC000459640729 823235542 /nfs/dbraw/zinc/23/55/42/823235542.db2.gz XQXIVQOSQDEYDW-CMPLNLGQSA-N 1 0 387.332 4.029 20 0 GIADRO O=C(c1ccccc1CC1CC[NH2+]CC1)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000571802941 823236118 /nfs/dbraw/zinc/23/61/18/823236118.db2.gz PFCVHYUNYQDPDC-LJQANCHMSA-N 1 0 394.481 4.423 20 0 GIADRO C[C@@H]([NH2+]CC[S@](=O)c1cc(Cl)ccc1Cl)c1nc2c(s1)CCC2 ZINC000459642766 823236314 /nfs/dbraw/zinc/23/63/14/823236314.db2.gz ZPSGEJSSXHSSDM-WYVULQQZSA-N 1 0 389.373 4.397 20 0 GIADRO C[C@H](CCCc1cccnc1)[NH2+]CC(=O)Nc1nc(-c2cccs2)cs1 ZINC000459643692 823236440 /nfs/dbraw/zinc/23/64/40/823236440.db2.gz VGGIOPMZTUTDLM-CQSZACIVSA-N 1 0 386.546 4.206 20 0 GIADRO Cc1nc2ccccc2nc1C[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459643874 823236764 /nfs/dbraw/zinc/23/67/64/823236764.db2.gz OSWOZAPVVSGIGQ-GOSISDBHSA-N 1 0 379.426 4.119 20 0 GIADRO Cn1nccc1-c1ccccc1C[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459646457 823237778 /nfs/dbraw/zinc/23/77/78/823237778.db2.gz IHFZWMMNSFDJIS-IBGZPJMESA-N 1 0 393.453 4.268 20 0 GIADRO CC(=O)Nc1cccc(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)c1C ZINC000188395793 823233208 /nfs/dbraw/zinc/23/32/08/823233208.db2.gz PWNVEURBJFOZLN-UHFFFAOYSA-N 1 0 393.531 4.259 20 0 GIADRO COc1ccc(C[C@H](C)C(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)cc1 ZINC000121728785 823238264 /nfs/dbraw/zinc/23/82/64/823238264.db2.gz XLVSLBUPPDBUNA-KRWDZBQOSA-N 1 0 398.572 4.370 20 0 GIADRO COc1ccc(NC(=O)N2CC[NH+](C3CCC(C)CC3)CC2)cc1SC ZINC000459648511 823238525 /nfs/dbraw/zinc/23/85/25/823238525.db2.gz HSHHIEVHYRKKCE-UHFFFAOYSA-N 1 0 377.554 4.145 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)C2(Cc3ccccc3F)CC2)[C@@H]1c1cccs1 ZINC000188448735 823242390 /nfs/dbraw/zinc/24/23/90/823242390.db2.gz FHJNUIKEXIRIBT-FXAWDEMLSA-N 1 0 386.536 4.409 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)Nc2ccccc2OC[C@H]2CCCCO2)o1 ZINC000056998727 823239060 /nfs/dbraw/zinc/23/90/60/823239060.db2.gz SQQWXOUKHTZBIV-GOSISDBHSA-N 1 0 386.492 4.322 20 0 GIADRO CC(C)(C)OC(=O)c1cnc(NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000571816797 823239105 /nfs/dbraw/zinc/23/91/05/823239105.db2.gz ODQKLHNTCNKXJU-LJQANCHMSA-N 1 0 396.535 4.146 20 0 GIADRO FC(F)(F)[C@@H]1CC[N@H+](Cc2cnc(-c3ccncc3)s2)CC12CCOCC2 ZINC000459651275 823239523 /nfs/dbraw/zinc/23/95/23/823239523.db2.gz PFGQSEDVKVAMRI-MRXNPFEDSA-N 1 0 397.466 4.386 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1coc(Br)c1 ZINC000121734221 823239581 /nfs/dbraw/zinc/23/95/81/823239581.db2.gz ARWMJOUEGGWRTM-UHFFFAOYSA-N 1 0 381.270 4.015 20 0 GIADRO C[C@H](CCCc1cccnc1)[NH2+][C@@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000459652384 823239594 /nfs/dbraw/zinc/23/95/94/823239594.db2.gz QMEANNSALAUMFY-MSOLQXFVSA-N 1 0 387.955 4.473 20 0 GIADRO C[C@@H](CCCc1cccnc1)[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000459651550 823239598 /nfs/dbraw/zinc/23/95/98/823239598.db2.gz ZIRUVDUYRLLHMX-HOCLYGCPSA-N 1 0 383.319 4.129 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)C2(Cc3ccccc3F)CC2)[C@@H]1c1cccs1 ZINC000188448712 823242535 /nfs/dbraw/zinc/24/25/35/823242535.db2.gz FHJNUIKEXIRIBT-YLJYHZDGSA-N 1 0 386.536 4.409 20 0 GIADRO COc1ccc(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1SC ZINC000459658341 823242617 /nfs/dbraw/zinc/24/26/17/823242617.db2.gz KHEXHFAQYDMNMP-INIZCTEOSA-N 1 0 389.521 4.359 20 0 GIADRO CCOc1ccc(OCC[NH2+][C@@H](c2cncc(Br)c2)C2CC2)cc1 ZINC000571826345 823240363 /nfs/dbraw/zinc/24/03/63/823240363.db2.gz NTNDJQNBILRXCS-LJQANCHMSA-N 1 0 391.309 4.363 20 0 GIADRO Cc1ccsc1C[N@@H+]1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000121748954 823242667 /nfs/dbraw/zinc/24/26/67/823242667.db2.gz XSWINLVTCLKNDO-CYBMUJFWSA-N 1 0 380.439 4.498 20 0 GIADRO Cc1ccc(OCCCC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c(Cl)c1 ZINC000121739645 823240694 /nfs/dbraw/zinc/24/06/94/823240694.db2.gz GJXDXQDWVCIXNY-SFHVURJKSA-N 1 0 378.944 4.284 20 0 GIADRO COc1ccc(NC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1SC ZINC000459654407 823240758 /nfs/dbraw/zinc/24/07/58/823240758.db2.gz ZIHPOWGOIGLFED-KRWDZBQOSA-N 1 0 391.581 4.393 20 0 GIADRO COc1ccc(C[NH2+][C@@H]2C[C@H]2c2ccccc2F)cc1OCc1cccnc1 ZINC000459654508 823240790 /nfs/dbraw/zinc/24/07/90/823240790.db2.gz FWIPOKUKEBGUON-PZJWPPBQSA-N 1 0 378.447 4.454 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@@H]1C[C@H]1c1ccccc1F ZINC000459654894 823240837 /nfs/dbraw/zinc/24/08/37/823240837.db2.gz HCFFSQLHFQAYLY-ISTRZQFTSA-N 1 0 376.859 4.351 20 0 GIADRO Fc1ccccc1-c1n[nH]cc1C[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459655275 823241029 /nfs/dbraw/zinc/24/10/29/823241029.db2.gz UTILSHWFFUKMDD-KRWDZBQOSA-N 1 0 397.416 4.397 20 0 GIADRO C[C@H]1C[C@H](NC(=O)c2nc(Cl)ccc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000176583412 823242103 /nfs/dbraw/zinc/24/21/03/823242103.db2.gz GLRUPOHBZYTSNW-DZGCQCFKSA-N 1 0 378.303 4.171 20 0 GIADRO Cc1ccc(C(=O)C2CCN(C(=O)NC[C@H](C)C[NH+]3CCCCC3)CC2)c(C)c1 ZINC000057039825 823242193 /nfs/dbraw/zinc/24/21/93/823242193.db2.gz IFXRAJDDTOSREW-IBGZPJMESA-N 1 0 399.579 4.030 20 0 GIADRO O=C(N[C@H](C1CC1)C(F)(F)F)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000571835587 823242291 /nfs/dbraw/zinc/24/22/91/823242291.db2.gz BCFRJUJXIRDKFQ-QUCCMNQESA-N 1 0 395.469 4.025 20 0 GIADRO C[C@H](CNC(=O)N(Cc1ccco1)Cc1cccs1)C[NH+]1CCCCC1 ZINC000057043342 823242931 /nfs/dbraw/zinc/24/29/31/823242931.db2.gz CDGZIFWQFRUNHZ-QGZVFWFLSA-N 1 0 375.538 4.175 20 0 GIADRO C[NH+](C)CCN(Cc1csc(COc2ccccc2)n1)Cc1ccc(F)cc1 ZINC000571842763 823243724 /nfs/dbraw/zinc/24/37/24/823243724.db2.gz XCYFJGPTDFUJCO-UHFFFAOYSA-N 1 0 399.535 4.425 20 0 GIADRO COc1ccc(Br)c(C[N@@H+]2CCC[C@@H](c3nncn3C(C)C)C2)c1 ZINC000571842753 823243747 /nfs/dbraw/zinc/24/37/47/823243747.db2.gz MFUWNVYXQXZSIE-CQSZACIVSA-N 1 0 393.329 4.010 20 0 GIADRO Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459671359 823247432 /nfs/dbraw/zinc/24/74/32/823247432.db2.gz WQLDFJONACYOOJ-KRWDZBQOSA-N 1 0 384.442 4.005 20 0 GIADRO C[C@@H](CCCOc1ccccc1C(N)=O)[NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000459665198 823245171 /nfs/dbraw/zinc/24/51/71/823245171.db2.gz JUUOMYRLAQHMEP-JCKWVBRZSA-N 1 0 390.886 4.271 20 0 GIADRO C[C@@H](NC(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccc(-c2cccnc2)cc1 ZINC000176599442 823245307 /nfs/dbraw/zinc/24/53/07/823245307.db2.gz IMFKBIHOWJMONP-LJQANCHMSA-N 1 0 392.547 4.327 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1(Cc2ccccc2F)CC1 ZINC000188469665 823245495 /nfs/dbraw/zinc/24/54/95/823245495.db2.gz RQPZOZDXMGDIBD-HXUWFJFHSA-N 1 0 380.507 4.129 20 0 GIADRO C[C@H](NC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)c1ccc(-c2cccnc2)cc1 ZINC000176601262 823245795 /nfs/dbraw/zinc/24/57/95/823245795.db2.gz CAYJLIDNEPAHOW-CVDCTZTESA-N 1 0 392.547 4.470 20 0 GIADRO C[NH+]1CCC(NC(=O)c2sc3cc(C(F)(F)F)ccc3c2Cl)CC1 ZINC000121766175 823245867 /nfs/dbraw/zinc/24/58/67/823245867.db2.gz FMIHAPVLUJHUEO-UHFFFAOYSA-N 1 0 376.831 4.398 20 0 GIADRO Cc1cc(C[NH2+]C2CCN(CCC(F)(F)F)CC2)ccc1Br ZINC000459667126 823246064 /nfs/dbraw/zinc/24/60/64/823246064.db2.gz SHHZZBKTLBABKU-UHFFFAOYSA-N 1 0 379.264 4.264 20 0 GIADRO COCCCOc1ccc(C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1 ZINC000176602421 823246128 /nfs/dbraw/zinc/24/61/28/823246128.db2.gz XCFQEBSLPYCHQC-IBGZPJMESA-N 1 0 396.531 4.057 20 0 GIADRO Cc1ccc(C[NH2+]C2CCN(Cc3ccccc3Br)CC2)nc1C ZINC000459668883 823246451 /nfs/dbraw/zinc/24/64/51/823246451.db2.gz NEIYZYPQSPZMTH-UHFFFAOYSA-N 1 0 388.353 4.215 20 0 GIADRO COC[C@H]([NH2+][C@H]1CCCc2sc(-c3ccc(F)cc3)nc21)C1CCOCC1 ZINC000188475757 823246732 /nfs/dbraw/zinc/24/67/32/823246732.db2.gz NJJBGTQBVMQOLB-ROUUACIJSA-N 1 0 390.524 4.358 20 0 GIADRO CCC(=O)c1ccc(OCCCCC(=O)N(C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)cc1 ZINC000409544705 823246760 /nfs/dbraw/zinc/24/67/60/823246760.db2.gz TTZMLKJIGMFBLX-ICSRJNTNSA-N 1 0 388.552 4.160 20 0 GIADRO C[C@H](NC(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1cccc(N2CCCC2)c1 ZINC000176606247 823246875 /nfs/dbraw/zinc/24/68/75/823246875.db2.gz CNGWKFHMSFNMAP-IBGZPJMESA-N 1 0 384.568 4.008 20 0 GIADRO Cc1cccc([C@H]2CCCN2C(=O)NC2CC[NH+](CCOC(C)C)CC2)c1C ZINC000176611326 823248477 /nfs/dbraw/zinc/24/84/77/823248477.db2.gz NTVNSCSKQBSAAU-JOCHJYFZSA-N 1 0 387.568 4.039 20 0 GIADRO C[C@@H]1CCC[N@@H+]1C1CCN(Cc2nnc(-c3cc4c(s3)CCCC4)o2)CC1 ZINC000121777795 823248583 /nfs/dbraw/zinc/24/85/83/823248583.db2.gz WHQCJEPXPXYYIF-OAHLLOKOSA-N 1 0 386.565 4.126 20 0 GIADRO c1csc(-c2ncc(C[N@@H+]3CCC[C@H](c4nnc5ccccn54)C3)s2)c1 ZINC000121778557 823248993 /nfs/dbraw/zinc/24/89/93/823248993.db2.gz CWQUTBGHBJPOFI-AWEZNQCLSA-N 1 0 381.530 4.294 20 0 GIADRO C[C@H]([NH2+][C@H]1c2sccc2OC(C)(C)[C@@H]1O)c1ccc(Br)cc1 ZINC000459682012 823249741 /nfs/dbraw/zinc/24/97/41/823249741.db2.gz DVMKHGZNTIMDOR-JMPLFQLZSA-N 1 0 382.323 4.434 20 0 GIADRO C[N@H+](Cc1ccccc1)[C@H](CN[C@H](c1ncc[nH]1)c1ccc(F)cc1)C1CC1 ZINC000188489776 823249857 /nfs/dbraw/zinc/24/98/57/823249857.db2.gz LBDCEZMFQRFNEO-YADHBBJMSA-N 1 0 378.495 4.138 20 0 GIADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)c2cccc(OCC(C)C)c2)c1 ZINC000571907443 823252563 /nfs/dbraw/zinc/25/25/63/823252563.db2.gz MLXWKGKJVYHGDJ-UHFFFAOYSA-N 1 0 397.519 4.254 20 0 GIADRO O=C(NC[C@H]1CCCO[C@H]1c1ccccc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000409565160 823250484 /nfs/dbraw/zinc/25/04/84/823250484.db2.gz IKTWZCILUJLJLA-PKTZIBPZSA-N 1 0 378.516 4.180 20 0 GIADRO CC[C@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccncc1 ZINC000176621171 823250865 /nfs/dbraw/zinc/25/08/65/823250865.db2.gz FGZCHNXSIPMGJG-KBRMVUAJSA-N 1 0 378.520 4.028 20 0 GIADRO CC(C)[C@H](C(=O)NCC1([NH+]2CCCCC2)CCOCC1)c1cccc(Cl)c1 ZINC000176621874 823250884 /nfs/dbraw/zinc/25/08/84/823250884.db2.gz CWXLZRRTYMYESD-FQEVSTJZSA-N 1 0 392.971 4.231 20 0 GIADRO O=C(NC1CC[NH+](CC2CC2)CC1)C1(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000188500073 823251591 /nfs/dbraw/zinc/25/15/91/823251591.db2.gz PWXBHCNPMYOBQV-UHFFFAOYSA-N 1 0 380.454 4.019 20 0 GIADRO COc1cc([C@H](C)[NH2+]CC2CCN(CC(F)(F)F)CC2)ccc1OC(F)F ZINC000188507428 823252751 /nfs/dbraw/zinc/25/27/51/823252751.db2.gz JGBQWISFUUHXIE-LBPRGKRZSA-N 1 0 396.400 4.222 20 0 GIADRO Cc1nc(C)c(C[NH2+]C[C@H](O)COC(c2ccccc2)c2ccccc2)s1 ZINC000571910203 823252899 /nfs/dbraw/zinc/25/28/99/823252899.db2.gz LQYHDAJMRDLORZ-FQEVSTJZSA-N 1 0 382.529 4.017 20 0 GIADRO CC(C)(C)c1nn(-c2ccccc2Cl)cc1C[NH2+]C1(CO)CCSCC1 ZINC000459733019 823258219 /nfs/dbraw/zinc/25/82/19/823258219.db2.gz SDTKQZWNUDYKQH-UHFFFAOYSA-N 1 0 393.984 4.171 20 0 GIADRO CCc1nc([C@H](C)NC(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cs1 ZINC000176652236 823257717 /nfs/dbraw/zinc/25/77/17/823257717.db2.gz DDPFUUGHUSJUJZ-IYOUNJFTSA-N 1 0 392.594 4.210 20 0 GIADRO C[C@H]([NH2+]CC1CCN(CC(F)(F)F)CC1)c1cc(Br)ccc1O ZINC000188511087 823253770 /nfs/dbraw/zinc/25/37/70/823253770.db2.gz GVRQWBYNZZJJCF-NSHDSACASA-N 1 0 395.263 4.080 20 0 GIADRO CO[C@](C)([C@@H](C)[NH2+]CC(=O)Nc1c(Cl)cccc1C(F)(F)F)C1CC1 ZINC000411935579 823615171 /nfs/dbraw/zinc/61/51/71/823615171.db2.gz BILJJNBLYIULBP-QLJPJBMISA-N 1 0 378.822 4.091 20 0 GIADRO CSc1cccc(F)c1C(=O)NC[C@@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000409583969 823254641 /nfs/dbraw/zinc/25/46/41/823254641.db2.gz HZSOOCLEFZDHBP-IBGZPJMESA-N 1 0 386.536 4.360 20 0 GIADRO Cc1c([C@@H](C)[NH2+]CC2CCN(CC(F)(F)F)CC2)cnn1-c1ccc(F)cc1 ZINC000188518624 823255247 /nfs/dbraw/zinc/25/52/47/823255247.db2.gz VUMYOCPPJYFVMT-CQSZACIVSA-N 1 0 398.448 4.245 20 0 GIADRO COC(=O)c1cc(C[NH2+][C@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)c(C)s1 ZINC000571928286 823255548 /nfs/dbraw/zinc/25/55/48/823255548.db2.gz AGHAATWPBVKHCN-WMZOPIPTSA-N 1 0 378.925 4.032 20 0 GIADRO COC(=O)c1cc(C[NH2+][C@@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)c(C)s1 ZINC000571928272 823255777 /nfs/dbraw/zinc/25/57/77/823255777.db2.gz AGHAATWPBVKHCN-AEFFLSMTSA-N 1 0 378.925 4.032 20 0 GIADRO COc1ccc([C@@H]([NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)c2ccccc2Cl)cc1 ZINC000571930701 823255997 /nfs/dbraw/zinc/25/59/97/823255997.db2.gz QDHANPADRUVUGD-OYHNWAKOSA-N 1 0 384.907 4.039 20 0 GIADRO CC(C)[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1nc2ccccc2[nH]1 ZINC000057154396 823256348 /nfs/dbraw/zinc/25/63/48/823256348.db2.gz CZVWRVFNUZLLPJ-JOCHJYFZSA-N 1 0 390.531 4.288 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cc(N(C)C)c3ccccc3n2)C1 ZINC000571933710 823256764 /nfs/dbraw/zinc/25/67/64/823256764.db2.gz ZMEUAAXMNSPVLN-RTBURBONSA-N 1 0 394.563 4.027 20 0 GIADRO CC(C)C(=O)Nc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000057169086 823258242 /nfs/dbraw/zinc/25/82/42/823258242.db2.gz OKFLXIRFDXZQAD-IBGZPJMESA-N 1 0 379.504 4.132 20 0 GIADRO Cc1cc(C)n(-c2ccccc2NC(=O)C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000057169538 823258461 /nfs/dbraw/zinc/25/84/61/823258461.db2.gz KSHDNHTZUZPOPQ-UHFFFAOYSA-N 1 0 388.515 4.340 20 0 GIADRO CCc1nc([C@@H](C)NC(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)cs1 ZINC000176654848 823258499 /nfs/dbraw/zinc/25/84/99/823258499.db2.gz LLFZDGVXWSDZIP-IAGOWNOFSA-N 1 0 386.565 4.073 20 0 GIADRO COc1ccc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)cc1SC ZINC000459733437 823258546 /nfs/dbraw/zinc/25/85/46/823258546.db2.gz URUJLPBAVYHRTC-QGZVFWFLSA-N 1 0 399.560 4.403 20 0 GIADRO CCc1nc([C@H](C)NC(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)cs1 ZINC000176654862 823258601 /nfs/dbraw/zinc/25/86/01/823258601.db2.gz LLFZDGVXWSDZIP-SJORKVTESA-N 1 0 386.565 4.073 20 0 GIADRO O=C(Nc1ccc(Br)cc1O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000057170763 823258725 /nfs/dbraw/zinc/25/87/25/823258725.db2.gz BYNAPMAQBZBKBL-UHFFFAOYSA-N 1 0 389.293 4.005 20 0 GIADRO CCOC(=O)Nc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000057172624 823258751 /nfs/dbraw/zinc/25/87/51/823258751.db2.gz QIHDCLWCCNUAFC-GOSISDBHSA-N 1 0 381.476 4.106 20 0 GIADRO CC(C)(C)OC1CC([N@@H+]2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)C1 ZINC000571954403 823259540 /nfs/dbraw/zinc/25/95/40/823259540.db2.gz CYQDLXSGFXODRJ-UHFFFAOYSA-N 1 0 379.932 4.226 20 0 GIADRO CCC[C@@H]1CN(C(=O)c2cccc(NC(C)=O)c2C)CC[N@@H+]1Cc1ccccc1 ZINC000188569846 823263165 /nfs/dbraw/zinc/26/31/65/823263165.db2.gz BXSHAVVOPVECHB-OAQYLSRUSA-N 1 0 393.531 4.080 20 0 GIADRO CO[C@@H]1C[C@@H]([NH2+]Cc2ncc(-c3ccccc3Br)o2)C12CCC2 ZINC000459750855 823260394 /nfs/dbraw/zinc/26/03/94/823260394.db2.gz HRSCLPGJSABVCA-HZPDHXFCSA-N 1 0 377.282 4.151 20 0 GIADRO CO[C@@H]1C[C@@H]([NH2+]Cc2ncc(-c3cccc(Br)c3)o2)C12CCC2 ZINC000459756706 823260901 /nfs/dbraw/zinc/26/09/01/823260901.db2.gz KFYIFJJATCDSLX-HZPDHXFCSA-N 1 0 377.282 4.151 20 0 GIADRO Cc1nc(CC(=O)NCCC[NH+](Cc2ccccc2)Cc2ccccc2)cs1 ZINC000176663560 823261167 /nfs/dbraw/zinc/26/11/67/823261167.db2.gz RYPGNUMABRHLQX-UHFFFAOYSA-N 1 0 393.556 4.203 20 0 GIADRO C[C@H](Cc1cccc(F)c1)[N@H+](C)CC(=O)N[C@H](c1nccs1)c1ccccc1 ZINC000459757667 823261282 /nfs/dbraw/zinc/26/12/82/823261282.db2.gz HOTIGSLLNNAOLA-IERDGZPVSA-N 1 0 397.519 4.051 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@H]1CCCC(F)(F)C1 ZINC000409619773 823263431 /nfs/dbraw/zinc/26/34/31/823263431.db2.gz GTAPYJGFJUZBPT-NZSAHSFTSA-N 1 0 379.495 4.022 20 0 GIADRO COc1ccc(C[NH2+][C@@H]2CCO[C@H]2c2cncc(Br)c2)c(Cl)c1 ZINC000459775257 823263432 /nfs/dbraw/zinc/26/34/32/823263432.db2.gz WZJFTCXTXPWFOX-SJORKVTESA-N 1 0 397.700 4.126 20 0 GIADRO Fc1c(Cl)cccc1C[NH2+][C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000459768306 823262561 /nfs/dbraw/zinc/26/25/61/823262561.db2.gz QWMHRIIIAWDSSS-ZBFHGGJFSA-N 1 0 385.664 4.256 20 0 GIADRO C[C@H](NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)c1ccc(Br)cc1 ZINC000571968928 823262894 /nfs/dbraw/zinc/26/28/94/823262894.db2.gz UUYBXYQPWNJDOY-YJBOKZPZSA-N 1 0 394.357 4.170 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H](c2cccc(Cl)c2)N(C)C)cc1 ZINC000409635590 823268712 /nfs/dbraw/zinc/26/87/12/823268712.db2.gz MQCKMZHBCYZENK-OAQYLSRUSA-N 1 0 387.955 4.101 20 0 GIADRO Fc1ccc(C[NH2+][C@@H]2CCO[C@H]2c2cncc(Br)c2)c(Cl)c1 ZINC000459778171 823263738 /nfs/dbraw/zinc/26/37/38/823263738.db2.gz ZGBOVLMFRGXYDT-CVEARBPZSA-N 1 0 385.664 4.256 20 0 GIADRO CO[C@@H]1C[C@@H]([NH2+]Cc2ncc(-c3ccc(Br)cc3)o2)C12CCC2 ZINC000459776537 823263917 /nfs/dbraw/zinc/26/39/17/823263917.db2.gz VQOZFXGWQIDZEQ-HZPDHXFCSA-N 1 0 377.282 4.151 20 0 GIADRO Cc1cccc(-c2nc(CC(=O)NCc3ccc(C[NH+](C)C)c(F)c3)cs2)c1 ZINC000121856015 823263974 /nfs/dbraw/zinc/26/39/74/823263974.db2.gz HPPIESKDAJYZPL-UHFFFAOYSA-N 1 0 397.519 4.178 20 0 GIADRO COc1ccc(OCc2ccccn2)c(C[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)c1 ZINC000459778766 823264141 /nfs/dbraw/zinc/26/41/41/823264141.db2.gz ZLLSEJVQBWDMEP-XZOQPEGZSA-N 1 0 396.531 4.042 20 0 GIADRO CC1(C)C[C@H]([NH2+][C@@H]2CCCc3c2cnn3-c2ncccn2)c2ccc(F)cc2O1 ZINC000571975167 823264157 /nfs/dbraw/zinc/26/41/57/823264157.db2.gz GMYUUOANNGHAKG-MSOLQXFVSA-N 1 0 393.466 4.071 20 0 GIADRO CCC[C@H]([NH2+]Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1)C1CCC1 ZINC000459786088 823264798 /nfs/dbraw/zinc/26/47/98/823264798.db2.gz CWDOBQASUUGWFR-SFHVURJKSA-N 1 0 378.563 4.272 20 0 GIADRO O=C(NCCC1=CC[NH2+]CC1)Nc1ccccc1-c1cc(F)c(F)c(F)c1 ZINC000572009989 823268955 /nfs/dbraw/zinc/26/89/55/823268955.db2.gz HJBLQLZJAZBSKR-UHFFFAOYSA-N 1 0 375.394 4.202 20 0 GIADRO CC(C)C[C@H](Cc1cccc(Br)c1)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000176690783 823268953 /nfs/dbraw/zinc/26/89/53/823268953.db2.gz ZJBJWLZAQQAFRL-ZWKOTPCHSA-N 1 0 395.385 4.064 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)NC1CCC2(CCCCC2)CC1 ZINC000188582336 823265769 /nfs/dbraw/zinc/26/57/69/823265769.db2.gz VXAGFOOPIKFGKU-UHFFFAOYSA-N 1 0 384.568 4.238 20 0 GIADRO CCc1ccc(Cl)c(CC)c1NC(=O)CCC[NH2+][C@@H](C)c1ccn(C)n1 ZINC000459802768 823266106 /nfs/dbraw/zinc/26/61/06/823266106.db2.gz YXPUGIGDWSDQFP-AWEZNQCLSA-N 1 0 376.932 4.268 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)NC[C@@H]1CCCC(F)(F)C1 ZINC000409636162 823269133 /nfs/dbraw/zinc/26/91/33/823269133.db2.gz FUYCCNNJSDBVHC-LJQANCHMSA-N 1 0 379.495 4.297 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)NC[C@H]1CCCC(F)(F)C1 ZINC000409636160 823269166 /nfs/dbraw/zinc/26/91/66/823269166.db2.gz FUYCCNNJSDBVHC-IBGZPJMESA-N 1 0 379.495 4.297 20 0 GIADRO COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000571993956 823266883 /nfs/dbraw/zinc/26/68/83/823266883.db2.gz ZZZPATRJOJVLGR-PBHICJAKSA-N 1 0 376.884 4.172 20 0 GIADRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2 ZINC000003955955 817495984 /nfs/dbraw/zinc/49/59/84/817495984.db2.gz XAYWPIVMOZDOAH-INIZCTEOSA-N 1 0 394.359 4.282 20 0 GIADRO C[C@@H](CCCOc1ccccc1C(N)=O)[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000121870551 823267021 /nfs/dbraw/zinc/26/70/21/823267021.db2.gz RQOZTFZSJAHJQJ-KBXCAEBGSA-N 1 0 388.508 4.299 20 0 GIADRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)NC[C@H]2CCCC(F)(F)C2)CC1 ZINC000409633789 823267895 /nfs/dbraw/zinc/26/78/95/823267895.db2.gz YKGMXYDCLNDJDV-FQEVSTJZSA-N 1 0 393.522 4.366 20 0 GIADRO CN(C(=O)NCC1CC[NH2+]CC1)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000572015812 823269690 /nfs/dbraw/zinc/26/96/90/823269690.db2.gz WEOPMBDYKAYIRK-HXUWFJFHSA-N 1 0 389.902 4.210 20 0 GIADRO CC(C)c1csc(CNC(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1 ZINC000121887906 823270647 /nfs/dbraw/zinc/27/06/47/823270647.db2.gz RJRJEGQCZNZGEZ-QGZVFWFLSA-N 1 0 392.613 4.453 20 0 GIADRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@H]2CCO[C@H](C3CC3)C2)c1 ZINC000121890521 823271231 /nfs/dbraw/zinc/27/12/31/823271231.db2.gz SNTBTTJDAVBUJM-GOTSBHOMSA-N 1 0 378.516 4.006 20 0 GIADRO C[C@H]([NH2+]C(C)(C)CNC(=O)C(C)(C)Cc1nc2ccccc2[nH]1)c1ccccc1 ZINC000409643267 823271292 /nfs/dbraw/zinc/27/12/92/823271292.db2.gz ANFUJJCLDNMTCM-KRWDZBQOSA-N 1 0 392.547 4.377 20 0 GIADRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccc(Br)cc3)CC2)n1 ZINC000572043302 823273258 /nfs/dbraw/zinc/27/32/58/823273258.db2.gz JTUXEWDTZFWLGT-UHFFFAOYSA-N 1 0 388.309 4.003 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1)CC3 ZINC000188614137 823273329 /nfs/dbraw/zinc/27/33/29/823273329.db2.gz SWROIWPKXQULFL-LRDNONRASA-N 1 0 396.453 4.107 20 0 GIADRO Cc1ccc(C[C@H]([NH2+]C2CCN(C(=O)c3ccco3)CC2)c2ccccn2)cc1 ZINC000121931008 823279143 /nfs/dbraw/zinc/27/91/43/823279143.db2.gz ZDXDTTRORDFFIB-QFIPXVFZSA-N 1 0 389.499 4.161 20 0 GIADRO CC(C)(C)n1nc(C(=O)N2C[C@@H]3CCC[N@@H+]3Cc3ccccc32)cc1C1CC1 ZINC000460020483 823279915 /nfs/dbraw/zinc/27/99/15/823279915.db2.gz ISPUOFBIVWTGFV-SFHVURJKSA-N 1 0 378.520 4.140 20 0 GIADRO C[C@H]([NH2+]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1)c1nc2ccc(Cl)cc2n1C ZINC000188622990 823275121 /nfs/dbraw/zinc/27/51/21/823275121.db2.gz IPHBQYHNZJIOKZ-NVGCLXPQSA-N 1 0 389.849 4.361 20 0 GIADRO O=C(NC[C@H]1CCN(c2ccc(F)cc2)C1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000057275726 823275223 /nfs/dbraw/zinc/27/52/23/823275223.db2.gz UWHLGYLSLGEIDY-HXUWFJFHSA-N 1 0 395.522 4.068 20 0 GIADRO Cc1cccnc1[C@H]([NH2+]C[C@@H](O)CO[C@@H](C)c1ccc(Cl)cc1)C(C)C ZINC000121911488 823275609 /nfs/dbraw/zinc/27/56/09/823275609.db2.gz ZRHWJGAUNDVSIE-PWIZWCRZSA-N 1 0 376.928 4.469 20 0 GIADRO CCN(C[C@@H]1CCOC1)C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000057286150 823275953 /nfs/dbraw/zinc/27/59/53/823275953.db2.gz CRJPKCURDAZXKQ-IBGZPJMESA-N 1 0 387.568 4.019 20 0 GIADRO C[C@@H](NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)c1ccc(Br)cn1 ZINC000572066085 823276907 /nfs/dbraw/zinc/27/69/07/823276907.db2.gz CLZZMYODQKPDFA-QRWLVFNGSA-N 1 0 388.353 4.405 20 0 GIADRO CC(C)[C@@H](NC(=O)N(C)CCC[N@H+](C)Cc1ccco1)c1nc2ccccc2[nH]1 ZINC000572068626 823277273 /nfs/dbraw/zinc/27/72/73/823277273.db2.gz IHQYMACJEJPWJH-HXUWFJFHSA-N 1 0 397.523 4.017 20 0 GIADRO O=C(NC[C@H](c1ccccc1)C(F)(F)F)c1cccc(C[NH+]2CCCC2)c1 ZINC000188636444 823277932 /nfs/dbraw/zinc/27/79/32/823277932.db2.gz SRHWMXFKTFDITI-LJQANCHMSA-N 1 0 376.422 4.358 20 0 GIADRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)c2scnc2C(C)(C)C)CC1 ZINC000176735440 823281037 /nfs/dbraw/zinc/28/10/37/823281037.db2.gz DZULQJMZZPLUPJ-UHFFFAOYSA-N 1 0 385.577 4.425 20 0 GIADRO CC(C)C[C@@H](CNC(=O)c1cnc2cnccc2c1)[NH2+][C@@H](C)c1ccccc1 ZINC000409680238 823281330 /nfs/dbraw/zinc/28/13/30/823281330.db2.gz VRDBLYVBAUOJHG-UWJYYQICSA-N 1 0 376.504 4.125 20 0 GIADRO CS(=O)(=O)c1ccc(-c2nc(C[NH2+][C@@H]3CCCCC34CCCC4)co2)cc1 ZINC000572088716 823281435 /nfs/dbraw/zinc/28/14/35/823281435.db2.gz UJNCWIADTJCCHD-LJQANCHMSA-N 1 0 388.533 4.338 20 0 GIADRO FC(F)(F)c1ccc(C2(C[NH2+]C3CCN(c4nccs4)CC3)CC2)cc1 ZINC000188657624 823281485 /nfs/dbraw/zinc/28/14/85/823281485.db2.gz GZSUZUQVXMPOLO-UHFFFAOYSA-N 1 0 381.467 4.452 20 0 GIADRO Cc1nc(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)c(Br)s1 ZINC000460045032 823281786 /nfs/dbraw/zinc/28/17/86/823281786.db2.gz VKZAYTIOETYQIT-UHFFFAOYSA-N 1 0 394.338 4.105 20 0 GIADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(C)(C)Cc2nc3ccccc3[nH]2)C1 ZINC000409684706 823282462 /nfs/dbraw/zinc/28/24/62/823282462.db2.gz JBRITNLIMZIKOK-QGZVFWFLSA-N 1 0 384.568 4.148 20 0 GIADRO CCSc1cccnc1C(=O)Nc1cc(C[NH+]2CCSCC2)ccc1C ZINC000460061854 823282959 /nfs/dbraw/zinc/28/29/59/823282959.db2.gz PJMCXBALFPNEDT-UHFFFAOYSA-N 1 0 387.574 4.303 20 0 GIADRO COc1cc(C[NH2+][C@@H]2CCO[C@H]2c2ccccc2)ccc1OCc1ccncc1 ZINC000176744506 823283196 /nfs/dbraw/zinc/28/31/96/823283196.db2.gz VKAXHBFOYLJYLS-QPPBQGQZSA-N 1 0 390.483 4.289 20 0 GIADRO Cc1ccc(OCc2ccccc2)c(NC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000572101087 823283561 /nfs/dbraw/zinc/28/35/61/823283561.db2.gz AOUMXDBHSOHKNG-FQEVSTJZSA-N 1 0 381.520 4.426 20 0 GIADRO COc1ccc(C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)c(OC)c1OC ZINC000121961161 823285148 /nfs/dbraw/zinc/28/51/48/823285148.db2.gz BBBHLURERLUXQI-LJQANCHMSA-N 1 0 383.488 4.205 20 0 GIADRO O=C(NC1CC[NH+](C2CC2)CC1)N1CCCC[C@H]1c1nc2ccccc2s1 ZINC000121971032 823286619 /nfs/dbraw/zinc/28/66/19/823286619.db2.gz SVIKKOZJPIMLPR-SFHVURJKSA-N 1 0 384.549 4.160 20 0 GIADRO O=C(COc1ccccc1C[NH+]1CCC(c2ccsc2)CC1)NCC1CC1 ZINC000188692797 823286973 /nfs/dbraw/zinc/28/69/73/823286973.db2.gz FQPVEXNWGSWXOH-UHFFFAOYSA-N 1 0 384.545 4.033 20 0 GIADRO Cc1ccc(COc2ccc([C@H]3NC(=[NH2+])Nc4nc5ccccc5n43)cc2)cc1 ZINC000007127257 817768107 /nfs/dbraw/zinc/76/81/07/817768107.db2.gz VNJRWWPUKKUIDS-NRFANRHFSA-N 1 0 383.455 4.420 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N[C@@H]1COCc2ccccc21 ZINC000572133232 823288193 /nfs/dbraw/zinc/28/81/93/823288193.db2.gz HDLZSYLELALBGK-WZONZLPQSA-N 1 0 393.531 4.132 20 0 GIADRO O=C(NC[C@H]1CCCc2ccccc21)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000409709954 823288257 /nfs/dbraw/zinc/28/82/57/823288257.db2.gz JCYVNOUGAULNQE-OAQYLSRUSA-N 1 0 380.557 4.085 20 0 GIADRO FC(F)C(F)(F)COCC[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000188700050 823288341 /nfs/dbraw/zinc/28/83/41/823288341.db2.gz APHGNGZGSQPTBO-UHFFFAOYSA-N 1 0 376.419 4.393 20 0 GIADRO CSc1ccc(CNC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000460121297 823288450 /nfs/dbraw/zinc/28/84/50/823288450.db2.gz OCFWHOWPDPUPRG-RTWAWAEBSA-N 1 0 395.572 4.072 20 0 GIADRO C[N@H+](Cc1ccccc1CNC(=O)c1ccc2oc(=O)[nH]c2c1)C1CCCCC1 ZINC000572141642 823289219 /nfs/dbraw/zinc/28/92/19/823289219.db2.gz SOCFRNIXVBYVLO-UHFFFAOYSA-N 1 0 393.487 4.228 20 0 GIADRO C[C@@H](Nc1ccc([NH+]2CCCCCC2)cc1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000007286170 817811244 /nfs/dbraw/zinc/81/12/44/817811244.db2.gz FGPHHCCNWPOQMG-MRXNPFEDSA-N 1 0 381.476 4.235 20 0 GIADRO C[NH+](C)CCCOc1cnccc1CNCc1ccc(F)c(Cl)c1Cl ZINC000572157773 823291655 /nfs/dbraw/zinc/29/16/55/823291655.db2.gz LJPYPXOAUFBZQE-UHFFFAOYSA-N 1 0 386.298 4.148 20 0 GIADRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)N[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000572146814 823290241 /nfs/dbraw/zinc/29/02/41/823290241.db2.gz FSVZILULSGWWJJ-XZOQPEGZSA-N 1 0 391.515 4.452 20 0 GIADRO CC[N@H+](CCCOc1ccc(Cl)cc1)CC(=O)Nc1ccccc1OC ZINC000007361066 817823711 /nfs/dbraw/zinc/82/37/11/817823711.db2.gz DCBDEICPCCTDSS-UHFFFAOYSA-N 1 0 376.884 4.078 20 0 GIADRO CCN(Cc1ccc(OC)cc1)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000057398742 823290815 /nfs/dbraw/zinc/29/08/15/823290815.db2.gz GOWIVVGFPJKBQG-JOCHJYFZSA-N 1 0 381.520 4.064 20 0 GIADRO Cc1cccc(COc2ccc([C@H](C)[NH2+]Cc3ccc(C(=O)N(C)C)[nH]3)cc2)c1 ZINC000176760405 823286088 /nfs/dbraw/zinc/28/60/88/823286088.db2.gz AUMOOGOQWDXGOC-SFHVURJKSA-N 1 0 391.515 4.455 20 0 GIADRO CCN(C(=O)N[C@H](C1CC1)C(F)(F)F)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000572159946 823292093 /nfs/dbraw/zinc/29/20/93/823292093.db2.gz KEWGYKSUHMINER-FHLIZLRMSA-N 1 0 383.458 4.194 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)COc1ccccc1-c1ccccc1)c1cccs1 ZINC000007408839 817833742 /nfs/dbraw/zinc/83/37/42/817833742.db2.gz FXWLFZCOQHCIRJ-IBGZPJMESA-N 1 0 380.513 4.213 20 0 GIADRO O=C(NCc1ccc(Cl)s1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460135744 823292524 /nfs/dbraw/zinc/29/25/24/823292524.db2.gz SMWQLUSCBZSQPN-IAGOWNOFSA-N 1 0 389.952 4.065 20 0 GIADRO FC1(F)CC[N@H+](Cc2ccccc2)C[C@H]1c1nc(C2CCSCC2)no1 ZINC000572164330 823292861 /nfs/dbraw/zinc/29/28/61/823292861.db2.gz AJEAUXJHMZEIFM-INIZCTEOSA-N 1 0 379.476 4.305 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]Cc2cccc(CSC)c2)cc1 ZINC000188722571 823293285 /nfs/dbraw/zinc/29/32/85/823293285.db2.gz SSEDJGTWMHQAIO-OAHLLOKOSA-N 1 0 378.563 4.162 20 0 GIADRO O=C1C[C@@H](C[NH2+]Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)CN1C1CC1 ZINC000572167552 823293291 /nfs/dbraw/zinc/29/32/91/823293291.db2.gz KEPAYXITSDYSBT-ZDUSSCGKSA-N 1 0 378.394 4.066 20 0 GIADRO COc1ccccc1CCNC(=O)C[NH2+][C@H](c1ccccc1)c1ccc(C)cc1 ZINC000007543063 817864665 /nfs/dbraw/zinc/86/46/65/817864665.db2.gz PIUSVFGTOJBTOB-RUZDIDTESA-N 1 0 388.511 4.042 20 0 GIADRO FC(F)Oc1ccc(NC(=S)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000007558357 817869174 /nfs/dbraw/zinc/86/91/74/817869174.db2.gz VNSWRBORDFUJDT-OAHLLOKOSA-N 1 0 397.516 4.473 20 0 GIADRO O=C(C(Cc1ccccc1)Cc1ccccc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000409737291 823295479 /nfs/dbraw/zinc/29/54/79/823295479.db2.gz QENQKMIVNKECRZ-QHCPKHFHSA-N 1 0 376.544 4.032 20 0 GIADRO Cc1nn(-c2ccccc2)cc1NC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000572181464 823295557 /nfs/dbraw/zinc/29/55/57/823295557.db2.gz GHBSAOVPJUEZQO-HXUWFJFHSA-N 1 0 397.910 4.259 20 0 GIADRO COc1c(Br)cc(Br)cc1C[NH2+]C[C@H]1CCCS1 ZINC000122026990 823295845 /nfs/dbraw/zinc/29/58/45/823295845.db2.gz HEEJTGSZKJESMQ-LLVKDONJSA-N 1 0 395.160 4.205 20 0 GIADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1cccc(Br)c1 ZINC000007686979 817895067 /nfs/dbraw/zinc/89/50/67/817895067.db2.gz XTYRSIQDONWXHJ-OAHLLOKOSA-N 1 0 379.323 4.078 20 0 GIADRO C[NH+](C)CC1CCN(C(=O)c2cccn2-c2c(Cl)cccc2Cl)CC1 ZINC000409744487 823297193 /nfs/dbraw/zinc/29/71/93/823297193.db2.gz XAJYVTZJWYSNNM-UHFFFAOYSA-N 1 0 380.319 4.198 20 0 GIADRO COCCCOc1cccc(C[NH2+]Cc2cccc(Br)c2OC)c1 ZINC000176805346 823297329 /nfs/dbraw/zinc/29/73/29/823297329.db2.gz DNTBUGJRMDWYEJ-UHFFFAOYSA-N 1 0 394.309 4.163 20 0 GIADRO CCCOc1ncccc1C[NH2+][C@H](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000122060931 823300424 /nfs/dbraw/zinc/30/04/24/823300424.db2.gz KFMAMRUDNQAFBO-CQSZACIVSA-N 1 0 391.899 4.039 20 0 GIADRO Cc1c(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cnn1CCC(C)C ZINC000122066898 823301488 /nfs/dbraw/zinc/30/14/88/823301488.db2.gz OCZVQELQVNCVGB-KNQAVFIVSA-N 1 0 396.579 4.363 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(C3SCCS3)c2)C1 ZINC000176820281 823301667 /nfs/dbraw/zinc/30/16/67/823301667.db2.gz VCOBJTLJNSXBTG-HNNXBMFYSA-N 1 0 379.595 4.361 20 0 GIADRO CCCc1ccc([C@H]([NH2+]CC(=O)Nc2ccc(C(=O)N(C)C)cc2)C(C)C)cc1 ZINC000007851753 817938406 /nfs/dbraw/zinc/93/84/06/817938406.db2.gz KAICVJQAWSCJNS-HSZRJFAPSA-N 1 0 395.547 4.266 20 0 GIADRO C[C@H](NC(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1)c1cc2ccccc2o1 ZINC000188775273 823302729 /nfs/dbraw/zinc/30/27/29/823302729.db2.gz HGGRFOOALZMLLC-BZSNNMDCSA-N 1 0 399.535 4.025 20 0 GIADRO C[NH+](C)CCOc1ccc(CNC(=O)N(Cc2ccccc2)CC2CCC2)cc1 ZINC000057482570 823302731 /nfs/dbraw/zinc/30/27/31/823302731.db2.gz HWFPDUDLASQDGX-UHFFFAOYSA-N 1 0 395.547 4.139 20 0 GIADRO CN(C)C[C@H]([NH2+]Cc1cccc(OCc2ccccn2)c1)c1ccc(F)cc1 ZINC000572200905 823298679 /nfs/dbraw/zinc/29/86/79/823298679.db2.gz KUKICFGPZFWFIW-QHCPKHFHSA-N 1 0 379.479 4.192 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)CCC(=O)c1ccc(C)c(C)c1 ZINC000007946859 817966977 /nfs/dbraw/zinc/96/69/77/817966977.db2.gz ZFDDMTXXUBVJEI-UHFFFAOYSA-N 1 0 380.532 4.425 20 0 GIADRO Cc1cccnc1[C@@H](NC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1)C(C)C ZINC000176813598 823299686 /nfs/dbraw/zinc/29/96/86/823299686.db2.gz ODYWJOYNLIOJPY-UNMCSNQZSA-N 1 0 394.563 4.393 20 0 GIADRO CCOc1cc(C[NH2+]CCC2CC(OCC)C2)cc(Br)c1OC ZINC000188776039 823303100 /nfs/dbraw/zinc/30/31/00/823303100.db2.gz DMTNXLNRKWBOIC-UHFFFAOYSA-N 1 0 386.330 4.151 20 0 GIADRO COc1ccc([C@H](C)N[C@H](C)c2ccncc2OC)cc1C[NH+]1CCCCC1 ZINC000188764528 823299908 /nfs/dbraw/zinc/29/99/08/823299908.db2.gz CHJOZSJZABRXGU-ZWKOTPCHSA-N 1 0 383.536 4.497 20 0 GIADRO O=C(Cc1ccc(Cl)c(Cl)c1)NCc1ccccc1C[NH+]1CCCC1 ZINC000008011683 817982373 /nfs/dbraw/zinc/98/23/73/817982373.db2.gz MUZWRRFGNQYEHL-UHFFFAOYSA-N 1 0 377.315 4.448 20 0 GIADRO CC[C@H](c1ccncc1)N(C)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000122084872 823303799 /nfs/dbraw/zinc/30/37/99/823303799.db2.gz FIFNBZPHIJZGIC-JOCHJYFZSA-N 1 0 380.536 4.360 20 0 GIADRO CCOC1CC(CC[NH2+]Cc2cc(Br)ccc2OC(F)F)C1 ZINC000188780450 823303866 /nfs/dbraw/zinc/30/38/66/823303866.db2.gz GWOITOUFARNTPI-UHFFFAOYSA-N 1 0 378.257 4.345 20 0 GIADRO COc1cccc(F)c1[C@H](C)NC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000176828141 823303868 /nfs/dbraw/zinc/30/38/68/823303868.db2.gz SWGZTZRSOZVWOS-DLBZAZTESA-N 1 0 399.510 4.420 20 0 GIADRO CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000460167969 823303966 /nfs/dbraw/zinc/30/39/66/823303966.db2.gz ITDUAKIKEYUOMQ-YOEHRIQHSA-N 1 0 395.473 4.293 20 0 GIADRO COc1cccc(F)c1[C@@H](C)NC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000176828154 823303978 /nfs/dbraw/zinc/30/39/78/823303978.db2.gz SWGZTZRSOZVWOS-SJORKVTESA-N 1 0 399.510 4.420 20 0 GIADRO O=C(CSc1cccc2cccc(Cl)c21)N1CCN(c2cc[nH+]cc2)CC1 ZINC000008097888 818000084 /nfs/dbraw/zinc/00/00/84/818000084.db2.gz SDGXXEGNRBOEMN-UHFFFAOYSA-N 1 0 397.931 4.329 20 0 GIADRO CC1CC[NH+](CCCCNC(=O)N(C)[C@H]2CC[C@@H](C(F)(F)F)CC2)CC1 ZINC000460171032 823304693 /nfs/dbraw/zinc/30/46/93/823304693.db2.gz MWSQHRAJXZIQTL-CALCHBBNSA-N 1 0 377.495 4.261 20 0 GIADRO CCC(CC)c1cc(C(=O)N(Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)on1 ZINC000572235389 823305652 /nfs/dbraw/zinc/30/56/52/823305652.db2.gz TWKMGAPQKFVLPJ-LJQANCHMSA-N 1 0 387.549 4.424 20 0 GIADRO CCn1c(Cc2ccc3ccccc3c2)nnc1N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000460177348 823306577 /nfs/dbraw/zinc/30/65/77/823306577.db2.gz LMRHMZWCRAQGFG-AVRDEDQJSA-N 1 0 391.563 4.351 20 0 GIADRO Clc1cccc(N2CCOCC2)c1C[NH2+]Cc1ccc(Br)cc1 ZINC000572259315 823308828 /nfs/dbraw/zinc/30/88/28/823308828.db2.gz FELKXLLRZDVAFG-UHFFFAOYSA-N 1 0 395.728 4.229 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)N(Cc2ccccc2)C[C@@H](O)c2ccco2)c1 ZINC000176848472 823308903 /nfs/dbraw/zinc/30/89/03/823308903.db2.gz DFNAQYYXJIKXKN-OAQYLSRUSA-N 1 0 393.487 4.109 20 0 GIADRO C[C@H](CCNC(=O)C(C)(C)Cc1nc2ccccc2[nH]1)[N@H+](C)Cc1ccccc1 ZINC000409787061 823307159 /nfs/dbraw/zinc/30/71/59/823307159.db2.gz UGFHTAKIMFFNOF-GOSISDBHSA-N 1 0 392.547 4.158 20 0 GIADRO COc1ccccc1CNC(=O)[C@@H](C)[NH2+]CC(c1ccccc1)c1ccccc1 ZINC000011046810 818047913 /nfs/dbraw/zinc/04/79/13/818047913.db2.gz BHQYJERPRKKBAW-LJQANCHMSA-N 1 0 388.511 4.122 20 0 GIADRO C[C@H](CC(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000176844491 823307418 /nfs/dbraw/zinc/30/74/18/823307418.db2.gz NPIXMEMOGJSWKW-OAQYLSRUSA-N 1 0 394.559 4.368 20 0 GIADRO O=C(Nc1cccc2c1CC[NH2+]C2)N1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000572259361 823308962 /nfs/dbraw/zinc/30/89/62/823308962.db2.gz KFDVNSNKGAPIAR-HNNXBMFYSA-N 1 0 394.450 4.024 20 0 GIADRO C[C@H](C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1F ZINC000176845311 823307698 /nfs/dbraw/zinc/30/76/98/823307698.db2.gz XNTXDJUECGDTJX-IBGZPJMESA-N 1 0 398.522 4.117 20 0 GIADRO Cc1ccc(NC(=O)C(C)C)cc1NC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000057541733 823307978 /nfs/dbraw/zinc/30/79/78/823307978.db2.gz NKVUTOWQFRUCKM-HXUWFJFHSA-N 1 0 382.508 4.014 20 0 GIADRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@H]2CCCC23CCOCC3)c1 ZINC000409798287 823310127 /nfs/dbraw/zinc/31/01/27/823310127.db2.gz TZACCTIDVBQAKE-QHCPKHFHSA-N 1 0 392.543 4.398 20 0 GIADRO Cc1cccc([C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccccn2)C(C)(C)C)c1 ZINC000176853471 823310098 /nfs/dbraw/zinc/31/00/98/823310098.db2.gz OYBGIEJFTAFIHX-OAQYLSRUSA-N 1 0 382.552 4.251 20 0 GIADRO C[NH+](C)CC1(C(=O)NCc2ccc(Oc3cccnc3)c(F)c2)CCCCC1 ZINC000460191168 823311428 /nfs/dbraw/zinc/31/14/28/823311428.db2.gz GXQDTVZFDASCNL-UHFFFAOYSA-N 1 0 385.483 4.141 20 0 GIADRO CCC1(CNC(=O)N(C)C2CC[NH+](CCc3ccccn3)CC2)CCCCC1 ZINC000460191103 823311550 /nfs/dbraw/zinc/31/15/50/823311550.db2.gz ONOOXTRMRJXEBE-UHFFFAOYSA-N 1 0 386.584 4.090 20 0 GIADRO CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000460193621 823311902 /nfs/dbraw/zinc/31/19/02/823311902.db2.gz VMXPLBKZJGEYSH-RLLQIKCJSA-N 1 0 399.583 4.221 20 0 GIADRO COc1ccc(C(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)c(OC(C)C)c1 ZINC000188816755 823312077 /nfs/dbraw/zinc/31/20/77/823312077.db2.gz ZXPAVOSOOZUAKY-UHFFFAOYSA-N 1 0 396.531 4.219 20 0 GIADRO CCN(c1nnc(-c2ccccn2)n1CC)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000460194265 823312289 /nfs/dbraw/zinc/31/22/89/823312289.db2.gz BGJNQWWAGVAQHD-ICSRJNTNSA-N 1 0 390.535 4.022 20 0 GIADRO Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C[NH2+]C[C@H]1CC[C@H](O)C1 ZINC000188819437 823312723 /nfs/dbraw/zinc/31/27/23/823312723.db2.gz GVYQNNVCCAWGOW-WFASDCNBSA-N 1 0 387.833 4.104 20 0 GIADRO CCOc1ccc([C@@H](C)NC(=O)NCc2ccccc2C[N@H+](C)C(C)C)cc1 ZINC000057592460 823312911 /nfs/dbraw/zinc/31/29/11/823312911.db2.gz MDRUZAJRRANMNX-GOSISDBHSA-N 1 0 383.536 4.486 20 0 GIADRO Cc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@@H]2CC[C@@H](O)C2)cc1 ZINC000188827652 823313993 /nfs/dbraw/zinc/31/39/93/823313993.db2.gz RLZMAKDEHDFVEJ-NFBKMPQASA-N 1 0 375.516 4.157 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)CC1 ZINC000011946865 818131414 /nfs/dbraw/zinc/13/14/14/818131414.db2.gz ODBPIAXELBVWJU-UHFFFAOYSA-N 1 0 378.303 4.388 20 0 GIADRO OC[C@]1(C[NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)C[C@H]1c1ccccc1 ZINC000572290857 823314273 /nfs/dbraw/zinc/31/42/73/823314273.db2.gz NMHNURMNASUYMU-QFBILLFUSA-N 1 0 383.385 4.023 20 0 GIADRO O=C(CCCC1CCOCC1)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000409817812 823315826 /nfs/dbraw/zinc/31/58/26/823315826.db2.gz AYJYLOHJXBPVPX-GOTSBHOMSA-N 1 0 384.564 4.096 20 0 GIADRO CN(Cc1ccc(O)cc1)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000057632988 823316403 /nfs/dbraw/zinc/31/64/03/823316403.db2.gz OOSDJHPOERUGQQ-UHFFFAOYSA-N 1 0 381.520 4.110 20 0 GIADRO CC[C@H](NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)c1c(C)noc1C ZINC000122176753 823317032 /nfs/dbraw/zinc/31/70/32/823317032.db2.gz CUMMJIXAEXYYDU-KKSFZXQISA-N 1 0 398.551 4.474 20 0 GIADRO CC[NH+]1CCC(n2nccc2NC(=O)c2cccc(-c3ccccn3)c2C)CC1 ZINC000122178783 823317461 /nfs/dbraw/zinc/31/74/61/823317461.db2.gz OCKLGNBAJRJQNZ-UHFFFAOYSA-N 1 0 389.503 4.163 20 0 GIADRO COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]C[C@@H]2CCN(c3cccc(OC)c3)C2)cc1 ZINC000572308497 823317510 /nfs/dbraw/zinc/31/75/10/823317510.db2.gz BHGMHVGTKPWSIP-GRJZNYKUSA-N 1 0 380.532 4.312 20 0 GIADRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)NCc1cc2ccccc2[nH]1 ZINC000057643958 823317601 /nfs/dbraw/zinc/31/76/01/823317601.db2.gz UJYIVDLZPLIGKK-UHFFFAOYSA-N 1 0 384.911 4.095 20 0 GIADRO COc1ccc(C[N@H+](C)C[C@@H](O)COc2ccc(-c3ccccc3)cc2)cc1 ZINC000012807489 818182658 /nfs/dbraw/zinc/18/26/58/818182658.db2.gz DXWIWENOBRQHOL-JOCHJYFZSA-N 1 0 377.484 4.234 20 0 GIADRO CC(C)(CNC(=O)c1cc(-c2cccnc2)nc2ccccc21)[NH+]1CCCCC1 ZINC000014060684 818218726 /nfs/dbraw/zinc/21/87/26/818218726.db2.gz BZZJNWNYLYZVHP-UHFFFAOYSA-N 1 0 388.515 4.291 20 0 GIADRO COc1ccc([C@@H](C[NH2+]Cc2cccc(Br)c2)N2CCCC2)cc1 ZINC000057681692 823320958 /nfs/dbraw/zinc/32/09/58/823320958.db2.gz MQLAAXMCCYXUSF-HXUWFJFHSA-N 1 0 389.337 4.384 20 0 GIADRO COc1ccc(C[NH2+]C[C@H](c2ccccc2)N2CCCC2)cc1Br ZINC000057681781 823321147 /nfs/dbraw/zinc/32/11/47/823321147.db2.gz MAISIGQLSXVIPB-LJQANCHMSA-N 1 0 389.337 4.384 20 0 GIADRO CC[C@@]1(C[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)OCCc2ccccc21 ZINC000572327282 823321456 /nfs/dbraw/zinc/32/14/56/823321456.db2.gz AIWKLOFDPJFJRI-VWLOTQADSA-N 1 0 396.550 4.300 20 0 GIADRO C[N@@H+](Cc1c(-c2ccccc2)nc2sccn12)C[C@H]1COc2ccccc2O1 ZINC000014214519 818228775 /nfs/dbraw/zinc/22/87/75/818228775.db2.gz SSKZJGGEPFUHRP-KRWDZBQOSA-N 1 0 391.496 4.335 20 0 GIADRO Cc1cc(C)c(NC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc1Br ZINC000188880367 823321775 /nfs/dbraw/zinc/32/17/75/823321775.db2.gz IBFYZXMMRXEHSW-MRXNPFEDSA-N 1 0 394.357 4.406 20 0 GIADRO COc1ccc([C@@H](CNC(=O)c2ccc(Cl)cc2F)[NH+]2CCCC2)cc1 ZINC000014238967 818230010 /nfs/dbraw/zinc/23/00/10/818230010.db2.gz PWOLXPMRKSAYRZ-LJQANCHMSA-N 1 0 376.859 4.055 20 0 GIADRO O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000014361725 818237908 /nfs/dbraw/zinc/23/79/08/818237908.db2.gz XYJGSQQPVLFDMP-UHFFFAOYSA-N 1 0 377.488 4.273 20 0 GIADRO CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)CCCC1CCOCC1 ZINC000409841594 823322442 /nfs/dbraw/zinc/32/24/42/823322442.db2.gz WWUKARNPTDSJGV-QFIPXVFZSA-N 1 0 386.580 4.173 20 0 GIADRO Cc1cc(OC[C@H](O)C[NH+]2CCC(n3ccnc3)CC2)c(C(C)C)cc1Cl ZINC000176913258 823322800 /nfs/dbraw/zinc/32/28/00/823322800.db2.gz AVHBZWPGFGBGBI-GOSISDBHSA-N 1 0 391.943 4.045 20 0 GIADRO CS[C@H](C)CC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000122217691 823323070 /nfs/dbraw/zinc/32/30/70/823323070.db2.gz NJCMLLFLVSUJGL-QIIPPGSGSA-N 1 0 388.499 4.346 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1cccc(SC(=O)N(C)C)c1 ZINC000176914766 823323317 /nfs/dbraw/zinc/32/33/17/823323317.db2.gz OLCVTASPPDNCRO-UHFFFAOYSA-N 1 0 399.560 4.184 20 0 GIADRO CN(C)c1ccccc1C[NH2+]C1(c2cccc(Br)c2)CCOCC1 ZINC000122222490 823323913 /nfs/dbraw/zinc/32/39/13/823323913.db2.gz TUGOSIIBLNAAPR-UHFFFAOYSA-N 1 0 389.337 4.311 20 0 GIADRO CS(=O)(=O)c1ccc(F)c(C[NH2+][C@H](Cc2ccccc2)c2ccccc2)c1 ZINC000409847306 823324185 /nfs/dbraw/zinc/32/41/85/823324185.db2.gz WVHCMDNEKDESJG-JOCHJYFZSA-N 1 0 383.488 4.303 20 0 GIADRO CCn1c(Cc2ccc3ccccc3c2)nnc1N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460228570 823324225 /nfs/dbraw/zinc/32/42/25/823324225.db2.gz BMKSLHUVRASYDA-PGRDOPGGSA-N 1 0 389.547 4.105 20 0 GIADRO C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000572340824 823324397 /nfs/dbraw/zinc/32/43/97/823324397.db2.gz RIUKRDBCUWEUDX-DOPJRALCSA-N 1 0 375.900 4.324 20 0 GIADRO C[NH+](C)Cc1ccnc(NC(=O)C2=NN(c3ccccc3)[C@H](c3ccccc3)C2)c1 ZINC000176924748 823325437 /nfs/dbraw/zinc/32/54/37/823325437.db2.gz PUKDWNSZAJJEOT-QFIPXVFZSA-N 1 0 399.498 4.089 20 0 GIADRO COc1cccc([C@H](CNc2nc(C)nc3sc4c(c32)CCC4)[NH+](C)C)c1 ZINC000015129021 818293489 /nfs/dbraw/zinc/29/34/89/818293489.db2.gz XFXJMGJJJZDVGX-KRWDZBQOSA-N 1 0 382.533 4.212 20 0 GIADRO C[NH+]1CCC([C@H]2CCN(C(=O)C(Cc3ccccc3)Cc3ccccc3)C2)CC1 ZINC000409853371 823326879 /nfs/dbraw/zinc/32/68/79/823326879.db2.gz NLGADKXDHCLHOM-DEOSSOPVSA-N 1 0 390.571 4.278 20 0 GIADRO CCn1c(-c2ccc(Cl)cc2F)nnc1N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000460237755 823327066 /nfs/dbraw/zinc/32/70/66/823327066.db2.gz AZXFXPZHKMPJKN-UKRRQHHQSA-N 1 0 379.911 4.067 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Cc1cccc(N)c1)c1ccc(C(F)(F)F)cc1 ZINC000572359754 823327233 /nfs/dbraw/zinc/32/72/33/823327233.db2.gz VMJCALPDWGVHMV-IBGZPJMESA-N 1 0 393.453 4.029 20 0 GIADRO Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC000122281103 823331882 /nfs/dbraw/zinc/33/18/82/823331882.db2.gz INZKBTAGIFYXJY-IAGOWNOFSA-N 1 0 395.931 4.012 20 0 GIADRO C[NH+](C)Cc1ccnc(NC(=O)c2ccccc2OCc2ccc(F)cc2)c1 ZINC000176935410 823328640 /nfs/dbraw/zinc/32/86/40/823328640.db2.gz AMXVDLUGZCAYRQ-UHFFFAOYSA-N 1 0 379.435 4.114 20 0 GIADRO Cc1occc1C(=O)Nc1cc(NC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)ccc1F ZINC000122262196 823329405 /nfs/dbraw/zinc/32/94/05/823329405.db2.gz HMFVNWBEJXJJCH-HZSPNIEDSA-N 1 0 387.455 4.179 20 0 GIADRO O=C(/C=C/c1nc2ccccc2s1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000015564528 818338770 /nfs/dbraw/zinc/33/87/70/818338770.db2.gz KFFVYEBUDUUNFC-ZHACJKMWSA-N 1 0 377.513 4.090 20 0 GIADRO COc1cc2c(cc1CNCc1ccccc1C[NH+]1CCCCC1)O[C@@H](C)C2 ZINC000015594501 818344338 /nfs/dbraw/zinc/34/43/38/818344338.db2.gz BWSVJWUKUAKBAJ-SFHVURJKSA-N 1 0 380.532 4.294 20 0 GIADRO C[C@@H](c1ccccc1F)N1CCC[C@H]([NH2+]Cc2cccc(OC(F)F)c2)C1=O ZINC000572382800 823330163 /nfs/dbraw/zinc/33/01/63/823330163.db2.gz GPFKKDTWZCYYFH-LIRRHRJNSA-N 1 0 392.421 4.269 20 0 GIADRO O=C(CC[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1)N1CCc2ccccc2C1 ZINC000188948573 823332421 /nfs/dbraw/zinc/33/24/21/823332421.db2.gz BRPFWNQBDCWLIJ-HXUWFJFHSA-N 1 0 391.540 4.408 20 0 GIADRO CC[NH+](CC)CCOc1cc(NC(=O)N2C[C@H]3CCCC[C@@H]3C2)ccc1OC ZINC000176942915 823330746 /nfs/dbraw/zinc/33/07/46/823330746.db2.gz DXPRKUGKPCRVOA-QZTJIDSGSA-N 1 0 389.540 4.070 20 0 GIADRO C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)o1 ZINC000409872638 823332248 /nfs/dbraw/zinc/33/22/48/823332248.db2.gz BMTPXSRFUBDRPL-RCOXNQKVSA-N 1 0 392.543 4.460 20 0 GIADRO Cc1ccccc1-n1ncc(C(=O)NC2CC[NH+](C3CCCC3)CC2)c1C(C)C ZINC000188950049 823332326 /nfs/dbraw/zinc/33/23/26/823332326.db2.gz OHUFVVUPBZTXKP-UHFFFAOYSA-N 1 0 394.563 4.441 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cc(F)c(Cl)cc1Cl ZINC000057818974 823337202 /nfs/dbraw/zinc/33/72/02/823337202.db2.gz PEIPOPCZDXNKSP-UHFFFAOYSA-N 1 0 396.293 4.445 20 0 GIADRO COc1ccccc1C[C@H](C)CC(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000409875064 823332775 /nfs/dbraw/zinc/33/27/75/823332775.db2.gz KPTBYHUDLVEPNM-IBGZPJMESA-N 1 0 394.559 4.217 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)Nc1nnc(-c2ccsc2)s1 ZINC000057787017 823332992 /nfs/dbraw/zinc/33/29/92/823332992.db2.gz DLRHIWPNORAXTP-UHFFFAOYSA-N 1 0 399.545 4.184 20 0 GIADRO O=C(COc1cccc2ccccc21)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000015988637 818381525 /nfs/dbraw/zinc/38/15/25/818381525.db2.gz SJOZBZRISWOWSD-HXUWFJFHSA-N 1 0 378.472 4.155 20 0 GIADRO CC1CC[NH+](C2CCC(NC(=O)c3cc(C4CC4)n(C(C)(C)C)n3)CC2)CC1 ZINC000122296978 823334268 /nfs/dbraw/zinc/33/42/68/823334268.db2.gz BPJIYGZFWQEIJG-UHFFFAOYSA-N 1 0 386.584 4.288 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)Nc2ccc(Cl)cc2OC(F)F)CC1 ZINC000460263603 823334342 /nfs/dbraw/zinc/33/43/42/823334342.db2.gz VFTDROZLVLOYCM-UHFFFAOYSA-N 1 0 375.847 4.185 20 0 GIADRO Cc1cc(NC(=O)N[C@@H]2C[C@H](C)CC[C@H]2C(C)C)n(C2CC[NH+](C)CC2)n1 ZINC000572429106 823337464 /nfs/dbraw/zinc/33/74/64/823337464.db2.gz NJDDDQHUTGXBAB-AYOQOUSVSA-N 1 0 375.561 4.041 20 0 GIADRO CC[C@H](NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)c1nc(C)cs1 ZINC000460264200 823334524 /nfs/dbraw/zinc/33/45/24/823334524.db2.gz GZTDSUIEHMXDOD-AABGKKOBSA-N 1 0 398.576 4.066 20 0 GIADRO COc1ccccc1[C@H](CNC(=S)Nc1ccccc1Cl)[NH+]1CCCC1 ZINC000016241274 818408977 /nfs/dbraw/zinc/40/89/77/818408977.db2.gz RJKWTODYHQWFFA-SFHVURJKSA-N 1 0 389.952 4.472 20 0 GIADRO C[NH+](C)[C@@H](CNC(=S)Nc1ccc(Cl)cc1Cl)Cc1ccccc1 ZINC000016242199 818409687 /nfs/dbraw/zinc/40/96/87/818409687.db2.gz QLDWCAPLFABICI-OAHLLOKOSA-N 1 0 382.360 4.453 20 0 GIADRO CC(=O)Nc1ccc(NC(=S)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1 ZINC000057814977 823336097 /nfs/dbraw/zinc/33/60/97/823336097.db2.gz YYXIDMQYUDBHOB-NRFANRHFSA-N 1 0 396.560 4.077 20 0 GIADRO Cc1cccc(NC(=O)COC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1C ZINC000016401933 818436193 /nfs/dbraw/zinc/43/61/93/818436193.db2.gz AUFLFSXJHSFKAC-UHFFFAOYSA-N 1 0 380.488 4.085 20 0 GIADRO Cc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c(C)c1 ZINC000016402361 818436250 /nfs/dbraw/zinc/43/62/50/818436250.db2.gz VOVPFSBGZMORQJ-IBGZPJMESA-N 1 0 394.515 4.473 20 0 GIADRO C[C@H](NC(=S)Nc1ccc(CC[NH+]2CCSCC2)cc1)c1ccccc1 ZINC000057817365 823336932 /nfs/dbraw/zinc/33/69/32/823336932.db2.gz XGRXYJJAQQQREI-KRWDZBQOSA-N 1 0 385.602 4.326 20 0 GIADRO Fc1ccccc1NC(=S)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000057817454 823337076 /nfs/dbraw/zinc/33/70/76/823337076.db2.gz UDHLHSUGWFTZGP-UHFFFAOYSA-N 1 0 375.538 4.226 20 0 GIADRO COc1ccccc1Cc1nnc(S[C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000572426618 823337135 /nfs/dbraw/zinc/33/71/35/823337135.db2.gz IYWNLQLPODQINE-SFHVURJKSA-N 1 0 381.501 4.036 20 0 GIADRO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1cccc(C)c1C ZINC000122319280 823337136 /nfs/dbraw/zinc/33/71/36/823337136.db2.gz XGHIMYMULUGVBW-RBBKRZOGSA-N 1 0 397.515 4.091 20 0 GIADRO Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@@H](CN(C)C)c1ccc(F)cc1 ZINC000572433280 823338396 /nfs/dbraw/zinc/33/83/96/823338396.db2.gz TYRIKSKPTCKVIF-QRWLVFNGSA-N 1 0 391.918 4.397 20 0 GIADRO C[N@@H+](Cc1ccccc1)CC1CCN(Cc2nc(Cc3ccccc3)no2)CC1 ZINC000057844223 823340588 /nfs/dbraw/zinc/34/05/88/823340588.db2.gz XDDVLBNEJCUODC-UHFFFAOYSA-N 1 0 390.531 4.004 20 0 GIADRO CCc1nc2c(s1)[C@@H]([NH2+]C1CCN(c3ccc(N(C)C)cc3)CC1)CCC2 ZINC000122342006 823340940 /nfs/dbraw/zinc/34/09/40/823340940.db2.gz YPJUZDXYRPIFSY-IBGZPJMESA-N 1 0 384.593 4.408 20 0 GIADRO COCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC000017309807 818507710 /nfs/dbraw/zinc/50/77/10/818507710.db2.gz QTWDWQJEWQXXRG-UHFFFAOYSA-N 1 0 386.293 4.038 20 0 GIADRO COc1ccc(CC[NH2+]Cc2cccc(NC(=O)c3ccc(OC)cc3)c2)cc1 ZINC000017310423 818507765 /nfs/dbraw/zinc/50/77/65/818507765.db2.gz XHQARQOHJPEUAQ-UHFFFAOYSA-N 1 0 390.483 4.288 20 0 GIADRO CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2CNCCC[NH+](C)C)cc1 ZINC000017310294 818507962 /nfs/dbraw/zinc/50/79/62/818507962.db2.gz CGZWCVLLJRQKRK-UHFFFAOYSA-N 1 0 392.547 4.368 20 0 GIADRO Fc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCCn2ccnc2)cc1 ZINC000017310182 818508007 /nfs/dbraw/zinc/50/80/07/818508007.db2.gz JEXLJFOHWJUKKE-UHFFFAOYSA-N 1 0 375.451 4.055 20 0 GIADRO Cc1nc(CC(C)C)oc1C(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000189008100 823341417 /nfs/dbraw/zinc/34/14/17/823341417.db2.gz OMOWRLGEWGVSRS-IRXDYDNUSA-N 1 0 383.536 4.068 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(NC(=O)OC(C)(C)C)cc2)C1 ZINC000176981009 823341446 /nfs/dbraw/zinc/34/14/46/823341446.db2.gz DNMCSZBFRVRAFJ-MRXNPFEDSA-N 1 0 390.528 4.229 20 0 GIADRO CC1CC[NH+]([C@@H](CNC(=O)N(Cc2ccccn2)C2CC2)c2ccccc2)CC1 ZINC000057855103 823341855 /nfs/dbraw/zinc/34/18/55/823341855.db2.gz YLUNLKWJDKGAEV-QHCPKHFHSA-N 1 0 392.547 4.229 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)CCc1nc2ccccc2s1)c1ccccc1 ZINC000018019158 818539107 /nfs/dbraw/zinc/53/91/07/818539107.db2.gz LFBNHYCLFARBTN-IBGZPJMESA-N 1 0 381.545 4.428 20 0 GIADRO Clc1cnc(-n2cc(N[C@@H]3CC[NH2+][C@@H](c4ccccc4)C3)cn2)c(Cl)c1 ZINC000572464047 823344833 /nfs/dbraw/zinc/34/48/33/823344833.db2.gz BKJDQHOAZDNDLT-CRAIPNDOSA-N 1 0 388.302 4.479 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(-c3ccncc3)nc3ccccc32)[C@H](C)C1 ZINC000122370442 823345149 /nfs/dbraw/zinc/34/51/49/823345149.db2.gz XDJDLYNSSSAKJO-HXOBKFHXSA-N 1 0 388.515 4.099 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cc(O)ccc2C(F)(F)F)CC1 ZINC000189034489 823345545 /nfs/dbraw/zinc/34/55/45/823345545.db2.gz QQQFBQNWXVEUCW-AWEZNQCLSA-N 1 0 392.421 4.366 20 0 GIADRO Nc1ccc(F)c(NC(=O)CC[N@H+](Cc2ccccc2C(F)(F)F)C2CC2)c1 ZINC000177013300 823349502 /nfs/dbraw/zinc/34/95/02/823349502.db2.gz CTGPYEWOQZQIGB-UHFFFAOYSA-N 1 0 395.400 4.420 20 0 GIADRO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000057903237 823346510 /nfs/dbraw/zinc/34/65/10/823346510.db2.gz RFETUBICJBXULC-INIZCTEOSA-N 1 0 393.350 4.306 20 0 GIADRO O=C(c1ccccc1F)N1CCC([NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000189041139 823346743 /nfs/dbraw/zinc/34/67/43/823346743.db2.gz WECALYSQGMSWII-CTNGQTDRSA-N 1 0 380.507 4.431 20 0 GIADRO CCOC(=O)Nc1ccc2c(C[N@H+](CC)Cc3cccs3)cc(=O)oc2c1 ZINC000019537921 818593756 /nfs/dbraw/zinc/59/37/56/818593756.db2.gz KMEOIDQRXRGJIR-UHFFFAOYSA-N 1 0 386.473 4.445 20 0 GIADRO Cc1ccnc([C@@H]2CC[N@H+](Cc3nc(-c4cccc(Br)c4)no3)C2)c1 ZINC000572494196 823349751 /nfs/dbraw/zinc/34/97/51/823349751.db2.gz NOEFAOUTNNLWDM-OAHLLOKOSA-N 1 0 399.292 4.192 20 0 GIADRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1cc(Cl)ccc1OC)c1ccc(OC)cc1 ZINC000019625679 818596554 /nfs/dbraw/zinc/59/65/54/818596554.db2.gz QZKNSIQZVHFHCY-DYVFJYSZSA-N 1 0 376.884 4.425 20 0 GIADRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc(Cl)ccc1OC)c1ccc(OC)cc1 ZINC000019625665 818596693 /nfs/dbraw/zinc/59/66/93/818596693.db2.gz QZKNSIQZVHFHCY-SUMWQHHRSA-N 1 0 376.884 4.425 20 0 GIADRO CC(C)c1ccc(NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c(C(C)C)c1 ZINC000057935683 823348979 /nfs/dbraw/zinc/34/89/79/823348979.db2.gz KVDDZYHQXKDATH-UHFFFAOYSA-N 1 0 387.568 4.297 20 0 GIADRO COc1cccc(F)c1[C@@H](C)[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000122398082 823349015 /nfs/dbraw/zinc/34/90/15/823349015.db2.gz MUGIFOTZLICRHF-CQSZACIVSA-N 1 0 390.886 4.443 20 0 GIADRO COc1ccc(Oc2cc(C[NH2+]C[C@H](O)[C@@H](C)c3ccccc3)ccn2)cc1 ZINC000572511781 823351860 /nfs/dbraw/zinc/35/18/60/823351860.db2.gz RFQPTMRZVLKIFX-JTSKRJEESA-N 1 0 378.472 4.137 20 0 GIADRO O=C(Nc1ccc(Cn2ccnc2)cn1)NC1(c2ccccc2)CCCCC1 ZINC000572510002 823351909 /nfs/dbraw/zinc/35/19/09/823351909.db2.gz HDFQFEDTQFUGGN-UHFFFAOYSA-N 1 0 375.476 4.308 20 0 GIADRO Fc1cccc(-c2cnc(CN3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@@H]4C3)o2)c1 ZINC000572530173 823355231 /nfs/dbraw/zinc/35/52/31/823355231.db2.gz MBCHVLSVJXXOIO-LEWJYISDSA-N 1 0 391.490 4.435 20 0 GIADRO C[NH+](C)C1(CNCc2cc(Br)ccc2OC(F)F)CCCC1 ZINC000058006673 823354173 /nfs/dbraw/zinc/35/41/73/823354173.db2.gz LWJQJMIARCOJQH-UHFFFAOYSA-N 1 0 377.273 4.015 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)CSc1ccc(F)cc1)c1cccc(OC)c1 ZINC000021070684 818651501 /nfs/dbraw/zinc/65/15/01/818651501.db2.gz VDSUBZDXGUDBIC-HXUWFJFHSA-N 1 0 390.524 4.126 20 0 GIADRO C[C@H](CC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)c1ccc(Br)cc1 ZINC000122440407 823354499 /nfs/dbraw/zinc/35/44/99/823354499.db2.gz LCBILEGBBVEJHC-IAGOWNOFSA-N 1 0 393.369 4.277 20 0 GIADRO C[C@H]([NH2+]Cc1cnn(Cc2ccc(F)cc2)c1)c1cccc(N2CCCC2=O)c1 ZINC000189086009 823354792 /nfs/dbraw/zinc/35/47/92/823354792.db2.gz OGTKJJBTRFAABG-KRWDZBQOSA-N 1 0 392.478 4.048 20 0 GIADRO Cc1noc(C)c1COc1ccccc1C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000021201431 818663882 /nfs/dbraw/zinc/66/38/82/818663882.db2.gz FSNYSEZLDWPYSF-UHFFFAOYSA-N 1 0 399.535 4.255 20 0 GIADRO CCn1c(-c2cc(C)oc2C)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000460313720 823350043 /nfs/dbraw/zinc/35/00/43/823350043.db2.gz POZNVIWSBHTGMN-KRWDZBQOSA-N 1 0 393.535 4.276 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(-c3ccccc3)nc3onc(C)c32)[C@H](C)C1 ZINC000122407731 823350104 /nfs/dbraw/zinc/35/01/04/823350104.db2.gz HCDHLSPEEDCLCA-QRWLVFNGSA-N 1 0 392.503 4.001 20 0 GIADRO C[NH+](C)Cc1ccc(-c2ccccc2CN[C@@H](c2ncc[nH]2)c2ccncc2)cc1 ZINC000189059365 823350215 /nfs/dbraw/zinc/35/02/15/823350215.db2.gz OWSNCGUSJASKAV-XMMPIXPASA-N 1 0 397.526 4.413 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)CCc1ncc(-c2ccccc2Cl)o1)c1ccccc1 ZINC000021305700 818673131 /nfs/dbraw/zinc/67/31/31/818673131.db2.gz OIFUNZINUKZDNA-IBGZPJMESA-N 1 0 397.906 4.347 20 0 GIADRO COc1ccc2[nH]cc(C3=CC[N@H+](Cc4ccc(-n5ccnc5)nc4)CC3)c2c1 ZINC000177033301 823355136 /nfs/dbraw/zinc/35/51/36/823355136.db2.gz DAPNUGLKXZYIPW-UHFFFAOYSA-N 1 0 385.471 4.047 20 0 GIADRO CC(=O)Nc1cc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)ccc1C ZINC000177021625 823351231 /nfs/dbraw/zinc/35/12/31/823351231.db2.gz AJYSOISMZXBUDR-DYESRHJHSA-N 1 0 394.519 4.128 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)NC[C@@H](OC)c2ccc(Cl)cc2)cc1)C1CC1 ZINC000460317564 823351472 /nfs/dbraw/zinc/35/14/72/823351472.db2.gz IREBQQZBRRRMNB-OAQYLSRUSA-N 1 0 386.923 4.442 20 0 GIADRO CCc1c(C(=O)NC2CC[NH+](C(C)(C)C)CC2)cnn1-c1ccccc1Cl ZINC000189093780 823356596 /nfs/dbraw/zinc/35/65/96/823356596.db2.gz ANGNOKKGMIDBEM-UHFFFAOYSA-N 1 0 388.943 4.081 20 0 GIADRO COCc1cccc(NC(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)c1 ZINC000058058876 823358362 /nfs/dbraw/zinc/35/83/62/823358362.db2.gz JFCQLFDGJDPESA-LJQANCHMSA-N 1 0 387.549 4.489 20 0 GIADRO C[N@@H+]1CCC[C@@]2(CCN(Cc3ncc(-c4ccccc4Br)o3)C2)C1 ZINC000572546011 823358601 /nfs/dbraw/zinc/35/86/01/823358601.db2.gz HXYIZUMWSXJIMP-LJQANCHMSA-N 1 0 390.325 4.022 20 0 GIADRO Cc1ccc(NC(=O)CNC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)c(Cl)c1 ZINC000460343757 823359320 /nfs/dbraw/zinc/35/93/20/823359320.db2.gz RJJFBUJOZNILGD-QZTJIDSGSA-N 1 0 399.966 4.333 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cc(F)ccc2SCC(F)F)C1 ZINC000177051827 823359827 /nfs/dbraw/zinc/35/98/27/823359827.db2.gz NGZJHXWZQPZOQJ-CYBMUJFWSA-N 1 0 389.487 4.379 20 0 GIADRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)CCCOc1ccccc1F ZINC000058073426 823359937 /nfs/dbraw/zinc/35/99/37/823359937.db2.gz ADSGNSXKXHWHNF-NQIIRXRSSA-N 1 0 382.479 4.128 20 0 GIADRO CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)cc1Cl ZINC000572558801 823360896 /nfs/dbraw/zinc/36/08/96/823360896.db2.gz OCMNJYALLRTTQN-GOSISDBHSA-N 1 0 388.920 4.392 20 0 GIADRO CS[C@H]1CN(CCOC(c2ccccc2)c2ccccc2)C[C@H]1[NH+]1CCCC1 ZINC000460354081 823361955 /nfs/dbraw/zinc/36/19/55/823361955.db2.gz SATAXRKPQXEWRA-PKTZIBPZSA-N 1 0 396.600 4.304 20 0 GIADRO COc1ccc([C@H](C)CC(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1 ZINC000177065615 823362961 /nfs/dbraw/zinc/36/29/61/823362961.db2.gz FPBDMCGAFMYDKM-NRJQMVOHSA-N 1 0 386.561 4.450 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2oc3ccc(Br)cc3c2C)[C@H](C)C1 ZINC000122497616 823363493 /nfs/dbraw/zinc/36/34/93/823363493.db2.gz GPLYLAGKPAAUNP-WBMJQRKESA-N 1 0 393.325 4.306 20 0 GIADRO Cc1nc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)sc1Cc1cccc(C)c1 ZINC000572597726 823367577 /nfs/dbraw/zinc/36/75/77/823367577.db2.gz VBTXSFQGNWCAOJ-AYHJJNSGSA-N 1 0 384.549 4.097 20 0 GIADRO O=C(NC(Cc1ccccc1)Cc1ccccc1)NC1CC[NH+](C2CCC2)CC1 ZINC000572595883 823367163 /nfs/dbraw/zinc/36/71/63/823367163.db2.gz MSVGYOBTAKDCQB-UHFFFAOYSA-N 1 0 391.559 4.157 20 0 GIADRO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2nc3ccccc3s2)C1 ZINC000177067721 823363704 /nfs/dbraw/zinc/36/37/04/823363704.db2.gz KEHZUDVYDLNTCB-CABCVRRESA-N 1 0 375.538 4.422 20 0 GIADRO Cc1c(Cl)cccc1NC(=O)CN[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000460361667 823363864 /nfs/dbraw/zinc/36/38/64/823363864.db2.gz HQSVQAATTNMJQY-DTVZVWBHSA-N 1 0 399.966 4.333 20 0 GIADRO CC(C)C[C@H](CNC(=O)N1CCC(F)(F)[C@H](C)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000460362924 823364056 /nfs/dbraw/zinc/36/40/56/823364056.db2.gz HAZPHWBHNLCVST-ZIFCJYIRSA-N 1 0 381.511 4.439 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)CCC(=O)c2ccc(F)c(F)c2)c1 ZINC000122502697 823364108 /nfs/dbraw/zinc/36/41/08/823364108.db2.gz JAFWBJGCBKQWKO-UHFFFAOYSA-N 1 0 388.458 4.086 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)N(C)[C@H]2CC[C@@H](C(F)(F)F)CC2)C[N@@H+]1Cc1ccccc1 ZINC000460364855 823364801 /nfs/dbraw/zinc/36/48/01/823364801.db2.gz VJZFDVQRHQUHKB-OWYHZJEWSA-N 1 0 397.485 4.412 20 0 GIADRO O=C(C1CC[NH+](Cc2cccc(OCc3ccccc3F)c2)CC1)N1CCCC1 ZINC000122510944 823365051 /nfs/dbraw/zinc/36/50/51/823365051.db2.gz AYEDAJLWCWQSLL-UHFFFAOYSA-N 1 0 396.506 4.239 20 0 GIADRO C[C@H](Sc1nc2ccccc2s1)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000022457721 818809138 /nfs/dbraw/zinc/80/91/38/818809138.db2.gz CRMFRHTUIOZASC-WMLDXEAASA-N 1 0 385.558 4.196 20 0 GIADRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1occc1COc1ccccc1 ZINC000022464297 818810403 /nfs/dbraw/zinc/81/04/03/818810403.db2.gz RRSOVHPWCANWFC-QFIPXVFZSA-N 1 0 390.483 4.426 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(C)(C)COCc1ccccc1 ZINC000409992571 823365169 /nfs/dbraw/zinc/36/51/69/823365169.db2.gz LJPDRYHJKYRNIZ-NZQKXSOJSA-N 1 0 394.559 4.256 20 0 GIADRO C[C@@H]1C[C@H](c2cccnc2)[N@H+](Cc2cccc(C(=O)NCc3ccco3)c2)C1 ZINC000460366956 823365361 /nfs/dbraw/zinc/36/53/61/823365361.db2.gz UGEWPSXHFSBGJH-VGOFRKELSA-N 1 0 375.472 4.188 20 0 GIADRO COCCCOC1CC[NH+](CC/C=C/c2ccc(Br)cc2)CC1 ZINC000122513025 823365424 /nfs/dbraw/zinc/36/54/24/823365424.db2.gz ZNWHGMOEACVCBK-GORDUTHDSA-N 1 0 382.342 4.370 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2csc(-c3ccccc3Cl)n2)[C@H](C)C1 ZINC000122516366 823365658 /nfs/dbraw/zinc/36/56/58/823365658.db2.gz OTJRUSFJTDUEDN-DYVFJYSZSA-N 1 0 377.941 4.266 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N(C)CCC1CCOCC1 ZINC000122516614 823365765 /nfs/dbraw/zinc/36/57/65/823365765.db2.gz ZHOFYLJHSNVPMV-IBGZPJMESA-N 1 0 387.568 4.019 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+]CCC(=O)N2CCc3ccccc3C2)cc1OCC ZINC000189151190 823366108 /nfs/dbraw/zinc/36/61/08/823366108.db2.gz HOYFSZMIYGJRQV-SFHVURJKSA-N 1 0 396.531 4.110 20 0 GIADRO O=C(CCCc1nc2ccccc2s1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000022610971 818833601 /nfs/dbraw/zinc/83/36/01/818833601.db2.gz NXQMTNZXXLCZGT-UHFFFAOYSA-N 1 0 393.556 4.354 20 0 GIADRO C[C@@H](NC(=O)C[NH+]1CCC([C@H]2CCCO2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000189155922 823366771 /nfs/dbraw/zinc/36/67/71/823366771.db2.gz XVAJLOVVEDIEAO-FZKQIMNGSA-N 1 0 385.335 4.062 20 0 GIADRO Nc1ccc(F)c(NC(=O)CC[N@H+](CCc2ccc(Cl)cc2)CC2CC2)c1 ZINC000177082747 823366768 /nfs/dbraw/zinc/36/67/68/823366768.db2.gz HYSUYJWFICSJIR-UHFFFAOYSA-N 1 0 389.902 4.345 20 0 GIADRO C[C@@H](Sc1ccc(Cl)cc1)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000022682542 818842857 /nfs/dbraw/zinc/84/28/57/818842857.db2.gz YLBIYXUOXRXYBW-FZKQIMNGSA-N 1 0 380.916 4.379 20 0 GIADRO CC[NH+](CC)CCOc1ccc(CNC(=O)c2cc(SC)ccc2C)cc1 ZINC000058192938 823368259 /nfs/dbraw/zinc/36/82/59/823368259.db2.gz AMVJGLLKSGLBMO-UHFFFAOYSA-N 1 0 386.561 4.368 20 0 GIADRO Clc1ccccc1Cn1cc(C[NH2+]C[C@@H](c2ccco2)N2CCCC2)cn1 ZINC000022742637 818854391 /nfs/dbraw/zinc/85/43/91/818854391.db2.gz PQZLKHPASPWGCF-FQEVSTJZSA-N 1 0 384.911 4.105 20 0 GIADRO COc1cccc(C[NH2+]Cc2ccc(OCc3c(C)noc3C)c(OC)c2)c1 ZINC000022775565 818859626 /nfs/dbraw/zinc/85/96/26/818859626.db2.gz WZXUCQVLAZLDFA-UHFFFAOYSA-N 1 0 382.460 4.177 20 0 GIADRO COc1ccc([C@@H]([NH2+]Cc2cc(OC)c3c(c2)OCCO3)c2ccccc2)cc1 ZINC000022790866 818861430 /nfs/dbraw/zinc/86/14/30/818861430.db2.gz KBWSRNYVYTUMQK-QHCPKHFHSA-N 1 0 391.467 4.354 20 0 GIADRO c1ccc(-c2nnc(CN3CC[NH+](Cc4cccc5ccccc54)CC3)o2)cc1 ZINC000022803364 818862400 /nfs/dbraw/zinc/86/24/00/818862400.db2.gz HHPHFGMAUGYESH-UHFFFAOYSA-N 1 0 384.483 4.208 20 0 GIADRO CC[N@H+](CC(=O)Nc1cc(Cl)ccc1F)[C@H](C)Cc1ccc(OC)cc1 ZINC000572611147 823369187 /nfs/dbraw/zinc/36/91/87/823369187.db2.gz PLHRIKZRROWIMC-CQSZACIVSA-N 1 0 378.875 4.379 20 0 GIADRO C[NH+](C)CCCOC1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000177107228 823373246 /nfs/dbraw/zinc/37/32/46/823373246.db2.gz HOXQICCDNLYMSR-MSOLQXFVSA-N 1 0 399.362 4.056 20 0 GIADRO COc1ccc([C@@H](CNC(=O)CCCOc2ccccc2C)[NH+]2CCCC2)cc1 ZINC000022870019 818868632 /nfs/dbraw/zinc/86/86/32/818868632.db2.gz IMVIKZKKAKHCJR-JOCHJYFZSA-N 1 0 396.531 4.116 20 0 GIADRO Cc1ccc(-n2ncc(C(=O)N[C@H]3C[C@@H](C)[N@@H+](C4CC4)C3)c2C2CC2)cc1Cl ZINC000177094241 823369758 /nfs/dbraw/zinc/36/97/58/823369758.db2.gz UFALWKPOECLBJF-ZBFHGGJFSA-N 1 0 398.938 4.067 20 0 GIADRO COc1cc(C2(C(=O)NC3CCC([NH+]4CCC(C)CC4)CC3)CC2)ccc1C ZINC000122547904 823370429 /nfs/dbraw/zinc/37/04/29/823370429.db2.gz DBRGCDRLPZZLER-UHFFFAOYSA-N 1 0 384.564 4.195 20 0 GIADRO Fc1ccc(C[N@@H+]2CCCN(Cc3ncc(-c4ccc(F)cc4)o3)CC2)cc1 ZINC000022983533 818884530 /nfs/dbraw/zinc/88/45/30/818884530.db2.gz VSDPGUHWVYOGQI-UHFFFAOYSA-N 1 0 383.442 4.328 20 0 GIADRO Cc1cc(C)c2c(c1)[C@@H]([NH2+][C@@H]1CCCN(C(=O)CCC(F)(F)F)C1)CCCO2 ZINC000572624714 823370747 /nfs/dbraw/zinc/37/07/47/823370747.db2.gz YCWSBXWHAIZXGK-AEFFLSMTSA-N 1 0 398.469 4.440 20 0 GIADRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)c1ccccc1Br ZINC000023016971 818888067 /nfs/dbraw/zinc/88/80/67/818888067.db2.gz JJGBKCONXAXXSE-UHFFFAOYSA-N 1 0 393.350 4.153 20 0 GIADRO COCCOCc1ccc(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C(C)C)cc1 ZINC000572625384 823371102 /nfs/dbraw/zinc/37/11/02/823371102.db2.gz CAUAKOTVMDCCQR-HSZRJFAPSA-N 1 0 385.504 4.108 20 0 GIADRO CC[C@H](C)[NH2+][C@H](CNC(=O)Cc1ccc(C)c(Br)c1)c1ccco1 ZINC000572625040 823371225 /nfs/dbraw/zinc/37/12/25/823371225.db2.gz LBGWCJXWXHONTK-WMLDXEAASA-N 1 0 393.325 4.139 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=S)Nc3ccc(F)c(Cl)c3)cc2)CC1 ZINC000023107879 818898562 /nfs/dbraw/zinc/89/85/62/818898562.db2.gz VRFCAFFIABNFJH-UHFFFAOYSA-N 1 0 392.931 4.430 20 0 GIADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)Cc2ccc(Cl)cc2)CC1 ZINC000023139474 818903761 /nfs/dbraw/zinc/90/37/61/818903761.db2.gz PJHDPNWVFJLCAI-UHFFFAOYSA-N 1 0 392.330 4.317 20 0 GIADRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+]Cc3cc4ccccc4s3)cc2)C[C@@H](C)O1 ZINC000177105335 823372621 /nfs/dbraw/zinc/37/26/21/823372621.db2.gz YQKOROXCGCNYIC-IAGOWNOFSA-N 1 0 394.540 4.441 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)c2cccc(Cl)c2Cl)CC1 ZINC000023228999 818914710 /nfs/dbraw/zinc/91/47/10/818914710.db2.gz UWODLQVKNZBAPV-UHFFFAOYSA-N 1 0 378.303 4.388 20 0 GIADRO O=C(c1cc2cc(Br)ccc2o1)N1CCC([NH+]2CCCCC2)CC1 ZINC000058263598 823372824 /nfs/dbraw/zinc/37/28/24/823372824.db2.gz RMLKTBOUZGBRMI-UHFFFAOYSA-N 1 0 391.309 4.286 20 0 GIADRO Fc1ccc(-c2cn(CN3CC[NH+](CCc4ccccc4)CC3)c(=S)o2)cc1 ZINC000023256708 818917467 /nfs/dbraw/zinc/91/74/67/818917467.db2.gz XMGLDIXZYNYLFB-UHFFFAOYSA-N 1 0 397.519 4.434 20 0 GIADRO CC(C)Cc1ccc(C(=O)CCC(=O)N2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000058263570 823372875 /nfs/dbraw/zinc/37/28/75/823372875.db2.gz UFQYPUHWHAZQQH-UHFFFAOYSA-N 1 0 384.564 4.325 20 0 GIADRO Cc1nn(C)c(=O)c(-c2nc(C[N@H+](CC3CC3)C3CCCCC3)cs2)c1C ZINC000177111960 823374125 /nfs/dbraw/zinc/37/41/25/823374125.db2.gz QRIQVQMPVCUORD-UHFFFAOYSA-N 1 0 386.565 4.065 20 0 GIADRO COc1ccc([C@H](CNC(=O)CCCOc2ccc(C)cc2)[NH+]2CCCC2)cc1 ZINC000023486866 818945909 /nfs/dbraw/zinc/94/59/09/818945909.db2.gz DDAVKXKTIBXCIG-QHCPKHFHSA-N 1 0 396.531 4.116 20 0 GIADRO COc1ccc([C@@H](CNC(=O)COc2ccccc2C(C)C)[NH+]2CCCC2)cc1 ZINC000023486182 818946035 /nfs/dbraw/zinc/94/60/35/818946035.db2.gz TZIGBGYZMXYYAW-JOCHJYFZSA-N 1 0 396.531 4.151 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)NC2(c3ccc(F)cc3)CCOCC2)cc1)C1CC1 ZINC000410033622 823375460 /nfs/dbraw/zinc/37/54/60/823375460.db2.gz PBJOSVPCFBWSBY-UHFFFAOYSA-N 1 0 396.506 4.246 20 0 GIADRO CC[C@H](C(=O)Nc1cnn(-c2ccccc2F)c1C)[N@H+](C)Cc1ccccc1 ZINC000572654353 823376128 /nfs/dbraw/zinc/37/61/28/823376128.db2.gz BATBPWYKARBSDR-HXUWFJFHSA-N 1 0 380.467 4.169 20 0 GIADRO CN(C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000460406199 823378602 /nfs/dbraw/zinc/37/86/02/823378602.db2.gz REIOAYOXXQXMAQ-ZACQAIPSSA-N 1 0 375.479 4.013 20 0 GIADRO CCCN(C(=O)Nc1cccc(C[NH+](C)C)c1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000410037569 823376663 /nfs/dbraw/zinc/37/66/63/823376663.db2.gz KTHPDJMAQKMPTG-GOSISDBHSA-N 1 0 396.535 4.409 20 0 GIADRO COc1ccc(Cc2nc(C)c([C@H](C)[NH2+]C[C@@H](O)CC(C)C)s2)cc1OC ZINC000122584577 823376873 /nfs/dbraw/zinc/37/68/73/823376873.db2.gz FWVYTHOWVQAVDH-YOEHRIQHSA-N 1 0 392.565 4.117 20 0 GIADRO C[C@H](NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)[C@@H](C)c1ccccc1 ZINC000460399389 823376792 /nfs/dbraw/zinc/37/67/92/823376792.db2.gz IUPKTVAOSATAHF-SHBJFUFKSA-N 1 0 391.559 4.342 20 0 GIADRO Cc1ccc(C(C)C)cc1OCC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000023654326 818971132 /nfs/dbraw/zinc/97/11/32/818971132.db2.gz BROUGUNWWJOMQI-UHFFFAOYSA-N 1 0 395.547 4.196 20 0 GIADRO CC(C)c1ccccc1OC[C@@H](O)C[NH2+][C@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000023675064 818972592 /nfs/dbraw/zinc/97/25/92/818972592.db2.gz LFNBDRGPTUSSAJ-CYFREDJKSA-N 1 0 399.531 4.308 20 0 GIADRO Cc1ccccc1SCC(=O)Nc1cc(Cl)ccc1N1CC[NH+](C)CC1 ZINC000023688600 818974272 /nfs/dbraw/zinc/97/42/72/818974272.db2.gz DRORZANFLQZQST-UHFFFAOYSA-N 1 0 389.952 4.131 20 0 GIADRO C[C@H]([NH2+]Cc1cc(Br)c(Cl)s1)C(=O)N1CCCC[C@@H]1C ZINC000190926695 823625537 /nfs/dbraw/zinc/62/55/37/823625537.db2.gz IBCAXBABXRBTPP-UWVGGRQHSA-N 1 0 379.751 4.043 20 0 GIADRO Cc1nc(-c2ccccn2)sc1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000023740744 818977956 /nfs/dbraw/zinc/97/79/56/818977956.db2.gz BHAAYWSXNHBVBF-LJQANCHMSA-N 1 0 392.528 4.080 20 0 GIADRO Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000023798309 818985198 /nfs/dbraw/zinc/98/51/98/818985198.db2.gz HWMPJCVPQIFXHL-UHFFFAOYSA-N 1 0 388.943 4.219 20 0 GIADRO CCn1nc(C)c(NC(=O)N2CCC(CC[N@H+](CC)CC(C)C)CC2)c1C ZINC000572669586 823379112 /nfs/dbraw/zinc/37/91/12/823379112.db2.gz ARAWSAJLHNGUST-UHFFFAOYSA-N 1 0 377.577 4.132 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)CSc1ccc(C)cc1)[NH+]1CCCC1 ZINC000023985296 819002120 /nfs/dbraw/zinc/00/21/20/819002120.db2.gz FNXVNONQABAMSG-FQEVSTJZSA-N 1 0 384.545 4.049 20 0 GIADRO CCOC(=O)c1c(NC(=O)CC[NH+]2CCCC2)sc(C)c1-c1ccccc1 ZINC000023991415 819003446 /nfs/dbraw/zinc/00/34/46/819003446.db2.gz CFUBMQPAUZZTIK-UHFFFAOYSA-N 1 0 386.517 4.325 20 0 GIADRO COc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000023994821 819004236 /nfs/dbraw/zinc/00/42/36/819004236.db2.gz WMXUAGXOWUCCOW-STQMWFEESA-N 1 0 377.282 4.136 20 0 GIADRO Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000024087317 819021790 /nfs/dbraw/zinc/02/17/90/819021790.db2.gz IBIFKIOBRRHTBL-UHFFFAOYSA-N 1 0 398.919 4.129 20 0 GIADRO Cc1c(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000024115386 819026349 /nfs/dbraw/zinc/02/63/49/819026349.db2.gz BUYFXRYTPSOPOD-UHFFFAOYSA-N 1 0 393.531 4.004 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)c2[nH]c3c(c2C)C(=O)CC(C)(C)C3)cc1 ZINC000024140329 819027331 /nfs/dbraw/zinc/02/73/31/819027331.db2.gz FLIXLFSOJUCXNM-UHFFFAOYSA-N 1 0 395.547 4.250 20 0 GIADRO O[C@H](c1ccc(Cl)cc1)C1CC[NH+](CCOCC(F)(F)C(F)F)CC1 ZINC000189255751 823382359 /nfs/dbraw/zinc/38/23/59/823382359.db2.gz UJKXFNCJMMNLNG-OAHLLOKOSA-N 1 0 383.813 4.002 20 0 GIADRO CC(C)CO[C@@H]1CCN(C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)C1 ZINC000177147397 823382687 /nfs/dbraw/zinc/38/26/87/823382687.db2.gz BVCDYHDBNDXWKG-HSZRJFAPSA-N 1 0 380.532 4.206 20 0 GIADRO CC(C)Oc1ccccc1CC(=O)NCc1c(Cl)cccc1-n1ccnc1 ZINC000572685307 823382829 /nfs/dbraw/zinc/38/28/29/823382829.db2.gz OEDGXBDWDKSHAL-UHFFFAOYSA-N 1 0 383.879 4.172 20 0 GIADRO CN(C)C(=O)N1CCC([NH2+]CC2(c3ccc(F)cc3Cl)CCCC2)CC1 ZINC000189260455 823382964 /nfs/dbraw/zinc/38/29/64/823382964.db2.gz RKOFGKOJMHVFSJ-UHFFFAOYSA-N 1 0 381.923 4.027 20 0 GIADRO C[C@H]([NH2+]Cc1cnn(Cc2ccc(F)cc2)c1)c1cccc(-n2cccn2)c1 ZINC000189262299 823383067 /nfs/dbraw/zinc/38/30/67/823383067.db2.gz XPBSCMYWKRIATR-KRWDZBQOSA-N 1 0 375.451 4.107 20 0 GIADRO C[NH+](C)CCC1CCN(Cc2cc(Br)ccc2OC(F)F)CC1 ZINC000058396498 823385437 /nfs/dbraw/zinc/38/54/37/823385437.db2.gz LHXJDPIJNHUHBZ-UHFFFAOYSA-N 1 0 391.300 4.214 20 0 GIADRO C[C@H](NC(=O)Nc1ccc2c(c1)C[NH2+]CCO2)c1cccc(Cl)c1Cl ZINC000572703804 823385976 /nfs/dbraw/zinc/38/59/76/823385976.db2.gz NIECIJDCDNYSPK-NSHDSACASA-N 1 0 380.275 4.358 20 0 GIADRO COc1ccccc1CN(C)C(=O)C[N@H+](CCc1ccccc1)C1CCCC1 ZINC000058398003 823385963 /nfs/dbraw/zinc/38/59/63/823385963.db2.gz DPVHOCYJGBGPMI-UHFFFAOYSA-N 1 0 380.532 4.141 20 0 GIADRO COc1cccc([C@@H](C)CC(=O)Nc2ccc(N(C)C3CC[NH+](C)CC3)cc2)c1 ZINC000177162345 823387489 /nfs/dbraw/zinc/38/74/89/823387489.db2.gz INCDXBORMZVTNJ-SFHVURJKSA-N 1 0 395.547 4.358 20 0 GIADRO FC(F)(F)COc1ccc(C[NH+]2CCC(c3c[nH]c4ncccc34)CC2)cn1 ZINC000122647428 823387531 /nfs/dbraw/zinc/38/75/31/823387531.db2.gz MPBHGTHCRWAMFW-UHFFFAOYSA-N 1 0 390.409 4.279 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H](C)CCc1cccn1C ZINC000122648717 823387830 /nfs/dbraw/zinc/38/78/30/823387830.db2.gz LJNMYKKGUJDAAN-CABCVRRESA-N 1 0 377.916 4.015 20 0 GIADRO Cc1ccccc1[C@H](OC[C@H](O)C[NH2+]CC[C@H]1CCO[C@H](C)C1)c1ccccc1 ZINC000572715197 823387888 /nfs/dbraw/zinc/38/78/88/823387888.db2.gz UUNUVTPXUCVLQH-SWXWDQRWSA-N 1 0 397.559 4.257 20 0 GIADRO C[C@H](CCc1cccn1C)[NH2+][C@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000122651668 823388464 /nfs/dbraw/zinc/38/84/64/823388464.db2.gz RQSTXXIXMXSDIJ-IAGOWNOFSA-N 1 0 375.944 4.026 20 0 GIADRO [NH3+]C[C@H]1CCCN(C(=O)c2c(F)cccc2Sc2ccc(Cl)cc2)C1 ZINC000572722248 823388778 /nfs/dbraw/zinc/38/87/78/823388778.db2.gz VLHCPLQMUMCCLQ-CYBMUJFWSA-N 1 0 378.900 4.441 20 0 GIADRO O[C@@H](C[NH2+]CCc1csc(-c2ccc(Cl)cc2)n1)COc1ccccc1 ZINC000572751497 823392853 /nfs/dbraw/zinc/39/28/53/823392853.db2.gz JOEVIJJFFGCMQG-SFHVURJKSA-N 1 0 388.920 4.036 20 0 GIADRO C[C@H]([NH2+]CC1=Cc2ccccc2OC1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000122679913 823393005 /nfs/dbraw/zinc/39/30/05/823393005.db2.gz OKZKWGZEBPMFPV-UUOWRZLLSA-N 1 0 379.500 4.377 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1Cl)c1ccccc1-n1cccn1 ZINC000177181148 823393254 /nfs/dbraw/zinc/39/32/54/823393254.db2.gz OODGUXBMCAYAPD-CYBMUJFWSA-N 1 0 389.286 4.468 20 0 GIADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCc1ccc(Cl)nc1 ZINC000122681168 823393466 /nfs/dbraw/zinc/39/34/66/823393466.db2.gz FQQZWJBQDOMCSA-GFCCVEGCSA-N 1 0 396.716 4.047 20 0 GIADRO O=C(Nc1ccc2nc(C3CC3)oc2c1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000177168283 823389565 /nfs/dbraw/zinc/38/95/65/823389565.db2.gz LNJKYUASZYUCID-UHFFFAOYSA-N 1 0 390.487 4.491 20 0 GIADRO O[C@H](C[NH2+]C1(c2nccs2)CCCC1)COc1c(Cl)cccc1Cl ZINC000177169810 823389907 /nfs/dbraw/zinc/38/99/07/823389907.db2.gz GJBRRIYGZMCZSW-GFCCVEGCSA-N 1 0 387.332 4.249 20 0 GIADRO C[C@@H]([NH2+]CC1=Cc2ccccc2OC1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000122680510 823393585 /nfs/dbraw/zinc/39/35/85/823393585.db2.gz OKZKWGZEBPMFPV-HOYKHHGWSA-N 1 0 379.500 4.377 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)NCc1cccs1)c1ccc(OCC(F)(F)F)cc1 ZINC000122682831 823394130 /nfs/dbraw/zinc/39/41/30/823394130.db2.gz FAZDSFUYAVBOBC-OLZOCXBDSA-N 1 0 386.439 4.045 20 0 GIADRO COc1ccc2[nH]c(C(=O)NC[C@@H]3CCC[N@H+](C)[C@H]3c3cccs3)cc2c1 ZINC000189323523 823394305 /nfs/dbraw/zinc/39/43/05/823394305.db2.gz JEIUWECSDPDPMV-VBKZILBWSA-N 1 0 383.517 4.051 20 0 GIADRO CSc1ccccc1[C@@H](C)NC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000410112817 823395121 /nfs/dbraw/zinc/39/51/21/823395121.db2.gz JIJSAWKSSRIFEQ-RDTXWAMCSA-N 1 0 375.513 4.211 20 0 GIADRO C[C@@H]1CC[NH2+][C@H](C(=O)Nc2ccc(Oc3cccc(C(F)(F)F)n3)cc2)C1 ZINC000572768448 823395277 /nfs/dbraw/zinc/39/52/77/823395277.db2.gz AUCNDSPOEQRRAL-DOMZBBRYSA-N 1 0 379.382 4.219 20 0 GIADRO C[C@H]1CC[NH2+][C@@H](C(=O)Nc2ccc(Oc3cccc(C(F)(F)F)n3)cc2)C1 ZINC000572768450 823395314 /nfs/dbraw/zinc/39/53/14/823395314.db2.gz AUCNDSPOEQRRAL-SWLSCSKDSA-N 1 0 379.382 4.219 20 0 GIADRO Cc1nc(CN2CCC(C[NH2+]Cc3ccc4nc(C)ccc4c3)CC2)oc1C ZINC000189333124 823395841 /nfs/dbraw/zinc/39/58/41/823395841.db2.gz CSXDHPRJSGRNHB-UHFFFAOYSA-N 1 0 378.520 4.150 20 0 GIADRO CSc1ccccc1[C@@H](C)NC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000410117715 823395997 /nfs/dbraw/zinc/39/59/97/823395997.db2.gz TUXVWGBSZKWZEB-GOSISDBHSA-N 1 0 397.588 4.476 20 0 GIADRO O=C(NCCCn1ccc2ccccc21)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000058467334 823395977 /nfs/dbraw/zinc/39/59/77/823395977.db2.gz CHGSXOYTSVVLEF-NRFANRHFSA-N 1 0 394.519 4.151 20 0 GIADRO C[C@H]([NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(NC(=O)C2CC2)cc1 ZINC000177196441 823396118 /nfs/dbraw/zinc/39/61/18/823396118.db2.gz FWWGIUFORBBQQF-HNNXBMFYSA-N 1 0 387.524 4.085 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)CC[N@@H+]1C ZINC000122702305 823397371 /nfs/dbraw/zinc/39/73/71/823397371.db2.gz IRVINXUKAAZZKQ-WFASDCNBSA-N 1 0 397.466 4.384 20 0 GIADRO COc1cc(C[NH2+]CC(C)(C)c2ccc3c(c2)OCCO3)ccc1OC(C)C ZINC000058476768 823397390 /nfs/dbraw/zinc/39/73/90/823397390.db2.gz VMWXQOBWUOXNDE-UHFFFAOYSA-N 1 0 385.504 4.321 20 0 GIADRO COc1cc(C)c(C[NH2+][C@@H](C)[C@@H](OC2CCOCC2)c2ccccc2)cc1OC ZINC000122711876 823398899 /nfs/dbraw/zinc/39/88/99/823398899.db2.gz AHKKRKDMJWUKAM-MHECFPHRSA-N 1 0 399.531 4.427 20 0 GIADRO CSc1ccc(C[N@H+](C)[C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)cc1 ZINC000189348140 823398892 /nfs/dbraw/zinc/39/88/92/823398892.db2.gz ZFJQOXMICNIJAN-INIZCTEOSA-N 1 0 390.574 4.141 20 0 GIADRO C[C@H](NC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)c1ccc(F)cc1F ZINC000460476755 823402142 /nfs/dbraw/zinc/40/21/42/823402142.db2.gz QFTHNRHDJHVVRF-QXAKKESOSA-N 1 0 399.485 4.189 20 0 GIADRO COc1ccccc1[C@H]1CCN(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000122742352 823404071 /nfs/dbraw/zinc/40/40/71/823404071.db2.gz WWHCGDKMATWKBB-RBBKRZOGSA-N 1 0 393.531 4.031 20 0 GIADRO CC(C)C[C@@H](CNC(=O)c1cccc2c1CC(=O)CC2)[NH2+][C@@H](C)c1ccccc1 ZINC000572805903 823402436 /nfs/dbraw/zinc/40/24/36/823402436.db2.gz NGGIFGNEQBBZSF-RXVVDRJESA-N 1 0 392.543 4.240 20 0 GIADRO CC(C)C[C@@H](CNC(=O)c1cccc2c1CC(=O)CC2)[NH2+][C@H](C)c1ccccc1 ZINC000572805902 823402539 /nfs/dbraw/zinc/40/25/39/823402539.db2.gz NGGIFGNEQBBZSF-NQIIRXRSSA-N 1 0 392.543 4.240 20 0 GIADRO CN1CCC([NH2+]C[C@H](c2ccc(Cl)cc2)N2CCc3sccc3C2)CC1 ZINC000177220315 823402815 /nfs/dbraw/zinc/40/28/15/823402815.db2.gz ZDTRLRSEDDBONT-HXUWFJFHSA-N 1 0 389.996 4.185 20 0 GIADRO CC[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@H](O)COCc1cccc(OC)c1 ZINC000058523941 823403955 /nfs/dbraw/zinc/40/39/55/823403955.db2.gz XSKUGJHXUOIIRE-QPTUXGOLSA-N 1 0 383.532 4.231 20 0 GIADRO COc1cccc([C@@H](CNC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)[NH+](C)C)c1 ZINC000410156955 823405044 /nfs/dbraw/zinc/40/50/44/823405044.db2.gz VNDKLFQCOCQTCM-XMSQKQJNSA-N 1 0 398.547 4.313 20 0 GIADRO O=C(Nc1cccc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)c1)c1ccco1 ZINC000177229446 823405180 /nfs/dbraw/zinc/40/51/80/823405180.db2.gz KPXJMGZZCLSMOG-UHFFFAOYSA-N 1 0 395.503 4.059 20 0 GIADRO CCCc1nnc(NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)s1 ZINC000058534108 823405503 /nfs/dbraw/zinc/40/55/03/823405503.db2.gz GZFIXAQZJJAKDZ-OAHLLOKOSA-N 1 0 387.553 4.044 20 0 GIADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)Nc2ccc(OCC(F)(F)F)cc2)C1 ZINC000058536797 823405750 /nfs/dbraw/zinc/40/57/50/823405750.db2.gz PAZZUNBUHOPRKI-OAHLLOKOSA-N 1 0 387.446 4.261 20 0 GIADRO Fc1ccc(Cn2cc(C[NH2+][C@@H]3CCO[C@H]3c3ccc(Cl)cc3)cn2)cc1 ZINC000189387832 823406311 /nfs/dbraw/zinc/40/63/11/823406311.db2.gz AWTBNCMLQXCNED-RTWAWAEBSA-N 1 0 385.870 4.344 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000122769043 823408986 /nfs/dbraw/zinc/40/89/86/823408986.db2.gz ALDYWKKIWTYFER-DVECYGJZSA-N 1 0 391.515 4.287 20 0 GIADRO CC(C)C[C@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1cccs1 ZINC000177240109 823407688 /nfs/dbraw/zinc/40/76/88/823407688.db2.gz GIPXOSTUCBEFJQ-YJBOKZPZSA-N 1 0 380.579 4.436 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(F)c(F)c1F ZINC000177241291 823408021 /nfs/dbraw/zinc/40/80/21/823408021.db2.gz CTSPBYKWKDCDLA-MRXNPFEDSA-N 1 0 376.422 4.088 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCC1)N(CCC(F)(F)F)CC1CC1 ZINC000177256723 823411412 /nfs/dbraw/zinc/41/14/12/823411412.db2.gz GDNKLUCOUAYBKB-UHFFFAOYSA-N 1 0 383.458 4.156 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)Nc1cccc(OCCF)c1 ZINC000122787191 823412053 /nfs/dbraw/zinc/41/20/53/823412053.db2.gz TXFKMFHQQWYSHS-GOSISDBHSA-N 1 0 385.483 4.163 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(-c2cccs2)on1)c1cccc(OC)c1 ZINC000058590725 823413952 /nfs/dbraw/zinc/41/39/52/823413952.db2.gz CDABAZBFQDIOSI-SFHVURJKSA-N 1 0 399.516 4.225 20 0 GIADRO Cc1cc(OC[C@H](O)C[N@H+](C[C@H]2CCOC2)C2CC2)c(C(C)C)cc1Cl ZINC000058592070 823413989 /nfs/dbraw/zinc/41/39/89/823413989.db2.gz QNTKVBPKBYXSKS-SJLPKXTDSA-N 1 0 381.944 4.012 20 0 GIADRO O=C(Nc1ccc(N=S2(=O)CCCC2)cc1)c1cccc(C[NH+]2CCCC2)c1 ZINC000572854777 823409940 /nfs/dbraw/zinc/40/99/40/823409940.db2.gz NBSQVLVBUXBRAV-UHFFFAOYSA-N 1 0 397.544 4.428 20 0 GIADRO O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)N(CCC(F)(F)F)CC1CC1 ZINC000177263528 823413665 /nfs/dbraw/zinc/41/36/65/823413665.db2.gz SZAMHIFBPMYUME-SFHVURJKSA-N 1 0 383.458 4.198 20 0 GIADRO Cc1ccc(-c2nc(CC(=O)NC3CC[NH+](C4CCCCC4)CC3)cs2)o1 ZINC000177253404 823410242 /nfs/dbraw/zinc/41/02/42/823410242.db2.gz UARFGKCNPHKIJV-UHFFFAOYSA-N 1 0 387.549 4.167 20 0 GIADRO CC(=O)NCC[C@H]1CCC[N@H+](Cc2cc(C)c(OCc3ccccn3)c(C)c2)C1 ZINC000572888788 823414440 /nfs/dbraw/zinc/41/44/40/823414440.db2.gz KRVBWOSAWAQINM-OAQYLSRUSA-N 1 0 395.547 4.016 20 0 GIADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1cnn(-c2ccc(Cl)cc2)c1 ZINC000177265220 823414449 /nfs/dbraw/zinc/41/44/49/823414449.db2.gz AKMWTHWKNNXLJK-UHFFFAOYSA-N 1 0 386.927 4.053 20 0 GIADRO CC[C@H]1CN(C(=O)Nc2ccccc2CCOC)CC[N@@H+]1Cc1ccccc1 ZINC000189448341 823419088 /nfs/dbraw/zinc/41/90/88/823419088.db2.gz UNUSBKJMLQWDQX-NRFANRHFSA-N 1 0 381.520 4.004 20 0 GIADRO COc1c(C)cnc(CN2CCC([N@H+](C)CC3Cc4ccccc4C3)CC2)c1C ZINC000572895686 823416037 /nfs/dbraw/zinc/41/60/37/823416037.db2.gz IVKAAHNYFOMMLL-UHFFFAOYSA-N 1 0 393.575 4.018 20 0 GIADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1cccc(Oc2ccncc2)c1 ZINC000177271449 823416500 /nfs/dbraw/zinc/41/65/00/823416500.db2.gz PYFJIUAEIVDCGB-UHFFFAOYSA-N 1 0 379.504 4.401 20 0 GIADRO CCN(Cc1ccccn1)C(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000177272481 823417020 /nfs/dbraw/zinc/41/70/20/823417020.db2.gz CJKYNSLYROSAPL-WOJBJXKFSA-N 1 0 394.563 4.291 20 0 GIADRO Cc1cc([C@@H](C)[NH2+][C@H](C)c2cccc(N3CCCS3(=O)=O)c2)c(C)s1 ZINC000122845915 823422308 /nfs/dbraw/zinc/42/23/08/823422308.db2.gz AFXIHQGFVHPPDE-HUUCEWRRSA-N 1 0 378.563 4.317 20 0 GIADRO C[C@H]([NH2+]CCc1ccc(Cl)nc1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000122845712 823422374 /nfs/dbraw/zinc/42/23/74/823422374.db2.gz DLOXXKSSVHZDCB-HNNXBMFYSA-N 1 0 392.952 4.345 20 0 GIADRO CC1(C)[C@H]([NH2+]C2CCN(CC(=O)Nc3ccccc3)CC2)C[C@@H]1c1ccccc1 ZINC000122858904 823424823 /nfs/dbraw/zinc/42/48/23/823424823.db2.gz RBRTYFAODFNVQH-DHIUTWEWSA-N 1 0 391.559 4.261 20 0 GIADRO C[C@H]([NH2+][C@H]1CCN(c2ccccc2F)C1=O)c1cccc(Br)c1 ZINC000410218628 823423105 /nfs/dbraw/zinc/42/31/05/823423105.db2.gz VGZVSUINRZSHGI-LRDDRELGSA-N 1 0 377.257 4.044 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)[C@H]2CCCCCC(=O)C2)CC1 ZINC000572935841 823423595 /nfs/dbraw/zinc/42/35/95/823423595.db2.gz ISCXRFLRKDUYSO-HNNXBMFYSA-N 1 0 392.927 4.291 20 0 GIADRO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)N(CCC(F)(F)F)CC1CC1 ZINC000177293766 823423859 /nfs/dbraw/zinc/42/38/59/823423859.db2.gz ILZHODPEGYJVNE-SFHVURJKSA-N 1 0 383.458 4.025 20 0 GIADRO CCC[N@H+](CC)Cc1ccc(C(=O)NCc2cc(OC)nc3ccccc23)cc1 ZINC000460527391 823420203 /nfs/dbraw/zinc/42/02/03/823420203.db2.gz XTMFNZMSQQBMHB-UHFFFAOYSA-N 1 0 391.515 4.405 20 0 GIADRO Cc1cc(C)c(N2CC[C@@H]([NH2+][C@H](C)CC(=O)Nc3ccccc3C)C2=O)c(C)c1 ZINC000189454092 823420451 /nfs/dbraw/zinc/42/04/51/823420451.db2.gz CICGACFDVAXBCI-TZIWHRDSSA-N 1 0 393.531 4.032 20 0 GIADRO O=C1CCCN1CCC[N@@H+](Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 ZINC000572949894 823425616 /nfs/dbraw/zinc/42/56/16/823425616.db2.gz CGDOWHSFDBRXOS-UHFFFAOYSA-N 1 0 392.330 4.403 20 0 GIADRO COc1ccc2[nH]c(C(=O)N3CCC(CC[N@@H+]4CCCC[C@@H]4C)CC3)cc2c1 ZINC000189479931 823426841 /nfs/dbraw/zinc/42/68/41/823426841.db2.gz BOEVSIDIJBWWFO-KRWDZBQOSA-N 1 0 383.536 4.293 20 0 GIADRO C[C@H](NC(=O)[C@@H](c1ccc(Cl)cc1)N(C)C)c1nc(C2CCCCC2)no1 ZINC000572971344 823428190 /nfs/dbraw/zinc/42/81/90/823428190.db2.gz BEQOUDJZZVXSGB-SUMWQHHRSA-N 1 0 390.915 4.251 20 0 GIADRO COC(=O)c1ccc([C@H](C)[NH2+][C@H]2CCN(C(C)C)[C@@H]2c2ccc(F)c(F)c2)o1 ZINC000572970736 823428237 /nfs/dbraw/zinc/42/82/37/823428237.db2.gz UGSIXBOMGGQPTA-QKMWGZLOSA-N 1 0 392.446 4.219 20 0 GIADRO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H]1COCc2ccccc21 ZINC000572975559 823428986 /nfs/dbraw/zinc/42/89/86/823428986.db2.gz QOTSRLCLWVXLCR-FZKQIMNGSA-N 1 0 378.394 4.284 20 0 GIADRO COc1ccc(C[NH+](C)C)cc1NC(=O)N[C@]1(c2ccc(Cl)cc2)C[C@@H]1C ZINC000572987247 823430391 /nfs/dbraw/zinc/43/03/91/823430391.db2.gz VVTLTKSPCCNFQT-LHSJRXKWSA-N 1 0 387.911 4.467 20 0 GIADRO Cc1ccc(C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)c(-c2cnn(C)c2)c1 ZINC000572988946 823430763 /nfs/dbraw/zinc/43/07/63/823430763.db2.gz YTQVXTISCKTVON-UHFFFAOYSA-N 1 0 394.563 4.056 20 0 GIADRO COCCc1ccccc1NC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000189497530 823431176 /nfs/dbraw/zinc/43/11/76/823431176.db2.gz HYTMYWFWRXKQFO-UHFFFAOYSA-N 1 0 395.547 4.048 20 0 GIADRO CCS[C@H]1CCCC[C@H]1[NH2+]Cc1nnc(-c2ccc(Br)o2)o1 ZINC000189505772 823433085 /nfs/dbraw/zinc/43/30/85/823433085.db2.gz IBDNWABEEMACJA-PWSUYJOCSA-N 1 0 386.315 4.246 20 0 GIADRO FC(F)(F)c1ccc(C[N@@H+]2CCCN(c3ncnc4ccsc43)CC2)cc1 ZINC000024717700 819868078 /nfs/dbraw/zinc/86/80/78/819868078.db2.gz LWYUJNJQPWPNFL-UHFFFAOYSA-N 1 0 392.450 4.422 20 0 GIADRO CCCCc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C[NH+](C)C)CC2=O)cc1 ZINC000024808467 819879886 /nfs/dbraw/zinc/87/98/86/819879886.db2.gz DCBCVWRFBNEEMB-FQEVSTJZSA-N 1 0 393.531 4.082 20 0 GIADRO c1ccc(CN2C[C@@H](c3ccccc3)[C@H]([NH2+][C@H]3CCC34CCOCC4)C2)cc1 ZINC000573024313 823435440 /nfs/dbraw/zinc/43/54/40/823435440.db2.gz AJECAQLGHLEEBB-VXNXHJTFSA-N 1 0 376.544 4.203 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)C1 ZINC000177329637 823435685 /nfs/dbraw/zinc/43/56/85/823435685.db2.gz UKAPQQFEPHVVTJ-QGZVFWFLSA-N 1 0 386.540 4.011 20 0 GIADRO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000573027251 823436198 /nfs/dbraw/zinc/43/61/98/823436198.db2.gz SJVAWHBAFPPYEP-XUVXKRRUSA-N 1 0 398.497 4.487 20 0 GIADRO CC(C)[NH2+]C1CCN(C(=O)Nc2cccnc2-c2ccc(Cl)s2)CC1 ZINC000189521269 823436285 /nfs/dbraw/zinc/43/62/85/823436285.db2.gz DBKNEOBNAQFGHF-UHFFFAOYSA-N 1 0 378.929 4.458 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000024926357 819896042 /nfs/dbraw/zinc/89/60/42/819896042.db2.gz AVALNUGGKFVLGS-UHFFFAOYSA-N 1 0 389.540 4.114 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)c2cccc(NC(=O)[C@H]3C[C@H]3C)c2)c1 ZINC000024928198 819896526 /nfs/dbraw/zinc/89/65/26/819896526.db2.gz HYKSCZARURDGHL-IERDGZPVSA-N 1 0 379.504 4.375 20 0 GIADRO COc1cccc([C@@H](C)[NH2+]Cc2cccc(NC(=O)NCc3ccncc3)c2)c1 ZINC000177333905 823437357 /nfs/dbraw/zinc/43/73/57/823437357.db2.gz XQNNKOBKHHPYIX-QGZVFWFLSA-N 1 0 390.487 4.263 20 0 GIADRO NC(=O)c1ccc(C[NH+]2CCC(c3nc4cc(Cl)ccc4s3)CC2)cc1 ZINC000025036731 819913092 /nfs/dbraw/zinc/91/30/92/819913092.db2.gz XFPYNZUEOMCELA-UHFFFAOYSA-N 1 0 385.920 4.428 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)Cc3ccc4c(c3)CCCC4)c(C)c2)CC1 ZINC000025185930 819940679 /nfs/dbraw/zinc/94/06/79/819940679.db2.gz SAEXDEBAIZOSJA-UHFFFAOYSA-N 1 0 391.559 4.197 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCSc2ccc(Cl)cc21)C(=O)Nc1ccc2c(c1)OCO2 ZINC000025215623 819944177 /nfs/dbraw/zinc/94/41/77/819944177.db2.gz JPEJJMQEONFVTR-XHDPSFHLSA-N 1 0 390.892 4.222 20 0 GIADRO COc1ccc([C@@H]2CCCCC[N@@H+]2C[C@@H](O)COCc2ccccc2OC)cc1 ZINC000025302185 819958147 /nfs/dbraw/zinc/95/81/47/819958147.db2.gz RRJZFHUWNWFZGT-GGAORHGYSA-N 1 0 399.531 4.199 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)COc1ccc(Cl)c2ccccc12)c1ccsc1 ZINC000025330877 819964720 /nfs/dbraw/zinc/96/47/20/819964720.db2.gz NNMOEJLIAGDZLF-GOSISDBHSA-N 1 0 388.920 4.353 20 0 GIADRO COc1cc(C[NH2+]C[C@@H](c2ccco2)N(C)C)ccc1OCc1ccc(F)cc1 ZINC000025355269 819969074 /nfs/dbraw/zinc/96/90/74/819969074.db2.gz ZXHKHDXOSRSBJR-FQEVSTJZSA-N 1 0 398.478 4.399 20 0 GIADRO C[N@H+](CCC(=O)NC(=O)Nc1ccccc1)Cc1ccc(Cl)c(Cl)c1 ZINC000025366139 819970686 /nfs/dbraw/zinc/97/06/86/819970686.db2.gz WPVICMXNSFQOIE-UHFFFAOYSA-N 1 0 380.275 4.164 20 0 GIADRO COc1ccc2cc(C(=O)NC[C@@H](c3cccs3)[NH+]3CCCC3)c(C)nc2c1 ZINC000025383671 819973830 /nfs/dbraw/zinc/97/38/30/819973830.db2.gz SWVLBLXLGOKWCL-FQEVSTJZSA-N 1 0 395.528 4.180 20 0 GIADRO Cc1cccc(-c2nc(CC(=O)NC[C@H](c3ccccc3)[NH+](C)C)cs2)c1 ZINC000025421228 819977801 /nfs/dbraw/zinc/97/78/01/819977801.db2.gz SMNNXTKNQXADEZ-HXUWFJFHSA-N 1 0 379.529 4.080 20 0 GIADRO Cc1cc(N2CCCC2)ccc1NC(=O)C[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000025441200 819980666 /nfs/dbraw/zinc/98/06/66/819980666.db2.gz PFRRWCMNLBHOPC-OAQYLSRUSA-N 1 0 377.532 4.241 20 0 GIADRO CO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)C12CCC2 ZINC000573070382 823443686 /nfs/dbraw/zinc/44/36/86/823443686.db2.gz PNDRMZZNHPQRNC-RYGJVYDSSA-N 1 0 377.550 4.011 20 0 GIADRO Cc1ccnc(Oc2ccc(NC(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)cc2)n1 ZINC000177357002 823444177 /nfs/dbraw/zinc/44/41/77/823444177.db2.gz HLAJJMVDRQYWHQ-QGZVFWFLSA-N 1 0 380.492 4.170 20 0 GIADRO CC(C)n1c(-c2cccnc2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000573074530 823444216 /nfs/dbraw/zinc/44/42/16/823444216.db2.gz OUFAUBLVNXGZPX-RBUKOAKNSA-N 1 0 382.556 4.012 20 0 GIADRO CCCCOc1ccc(C(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)cc1OC ZINC000025633439 820009128 /nfs/dbraw/zinc/00/91/28/820009128.db2.gz MGOVIQGVYQSRTF-GOSISDBHSA-N 1 0 396.531 4.051 20 0 GIADRO C[C@@H](CNC(=O)c1ccc(-c2ccc(F)cc2)o1)[N@@H+]1CCc2ccccc2C1 ZINC000025635109 820009333 /nfs/dbraw/zinc/00/93/33/820009333.db2.gz VEXDBHKAZZXDLG-INIZCTEOSA-N 1 0 378.447 4.262 20 0 GIADRO O[C@H](COc1ccccc1F)C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000025697814 820015477 /nfs/dbraw/zinc/01/54/77/820015477.db2.gz YMOGUQMXRYWFJH-VBKZILBWSA-N 1 0 389.517 4.336 20 0 GIADRO C[C@@H]1C[N@@H+](CCCNC(=O)[C@H](Sc2ccccc2)c2ccccc2)C[C@H](C)O1 ZINC000058758073 823445408 /nfs/dbraw/zinc/44/54/08/823445408.db2.gz JKTVBUZUHNRMQV-XQBPLPMBSA-N 1 0 398.572 4.136 20 0 GIADRO Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000177363161 823445387 /nfs/dbraw/zinc/44/53/87/823445387.db2.gz BPPPJOZHJJVQKB-UHFFFAOYSA-N 1 0 394.494 4.179 20 0 GIADRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)c3cccc4ccccc43)cc2)C[C@@H](C)O1 ZINC000058760338 823446045 /nfs/dbraw/zinc/44/60/45/823446045.db2.gz PDEILKJHIIIRBC-RTBURBONSA-N 1 0 388.511 4.379 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1csc(-c2ccc(F)cc2)n1)c1ccsc1 ZINC000025813360 820028092 /nfs/dbraw/zinc/02/80/92/820028092.db2.gz LRYFDMFVUGRDDB-INIZCTEOSA-N 1 0 375.494 4.043 20 0 GIADRO Cc1cc(N2CCCC2)ccc1NC(=O)N[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000573094966 823446813 /nfs/dbraw/zinc/44/68/13/823446813.db2.gz UDBCTVNCNIKARA-XMMPIXPASA-N 1 0 392.547 4.381 20 0 GIADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000122965259 823440925 /nfs/dbraw/zinc/44/09/25/823440925.db2.gz JQNAFJHPKAUONI-NHCUHLMSSA-N 1 0 397.519 4.196 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccccc1OC(F)F)c1cccc(OC)c1 ZINC000025862985 820032030 /nfs/dbraw/zinc/03/20/30/820032030.db2.gz HSXWAFJBYRHCKU-SFHVURJKSA-N 1 0 392.446 4.110 20 0 GIADRO CC(=O)c1cccc(OC[C@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)c1 ZINC000025865842 820032388 /nfs/dbraw/zinc/03/23/88/820032388.db2.gz ZUNZXYSXTCCQTF-XMMPIXPASA-N 1 0 389.495 4.331 20 0 GIADRO COc1cc(NC2CC[NH+](Cc3ccc(OC(F)F)cc3)CC2)cc(OC)c1 ZINC000177370266 823447429 /nfs/dbraw/zinc/44/74/29/823447429.db2.gz FBPWQWVVMOYMPK-UHFFFAOYSA-N 1 0 392.446 4.382 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000573100720 823447421 /nfs/dbraw/zinc/44/74/21/823447421.db2.gz IOCNIIKOVVATHO-NPPFBWRTSA-N 1 0 377.532 4.275 20 0 GIADRO O[C@@H](C[NH2+]Cc1ccc(Br)s1)CO[C@@H]1CCCc2ccccc21 ZINC000573100287 823447492 /nfs/dbraw/zinc/44/74/92/823447492.db2.gz VDCVUUAMHFPZSL-WMLDXEAASA-N 1 0 396.350 4.055 20 0 GIADRO c1nc(N2CCOCC2)sc1C[NH2+][C@H]1CCc2ccc(-c3ccccc3)cc21 ZINC000189576865 823449045 /nfs/dbraw/zinc/44/90/45/823449045.db2.gz NDNQXQUSQLJYKN-QFIPXVFZSA-N 1 0 391.540 4.424 20 0 GIADRO CC[C@H](NC(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1)c1ccc(OC)cc1 ZINC000026164707 820065683 /nfs/dbraw/zinc/06/56/83/820065683.db2.gz PAIGYIDAQVYZCP-QFIPXVFZSA-N 1 0 395.547 4.282 20 0 GIADRO COCCc1ccccc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000189589399 823453446 /nfs/dbraw/zinc/45/34/46/823453446.db2.gz OOGSAWGXMICGAU-GHTZIAJQSA-N 1 0 381.520 4.050 20 0 GIADRO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000026299789 820079124 /nfs/dbraw/zinc/07/91/24/820079124.db2.gz BKERJZWFULBRNM-OAHLLOKOSA-N 1 0 398.894 4.275 20 0 GIADRO CN(C)[C@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1)c1ccccc1 ZINC000026304229 820080413 /nfs/dbraw/zinc/08/04/13/820080413.db2.gz BOTXEPZHHGNKBU-XMMPIXPASA-N 1 0 397.526 4.327 20 0 GIADRO CC(C)C(=O)NCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccc(Cl)c1 ZINC000026309410 820080686 /nfs/dbraw/zinc/08/06/86/820080686.db2.gz YLPCCIBZQHUMKF-UHFFFAOYSA-N 1 0 396.922 4.055 20 0 GIADRO CN1CCN([C@H](C[NH2+]Cc2ccc(-c3ccccc3F)o2)c2cccs2)CC1 ZINC000026310609 820080997 /nfs/dbraw/zinc/08/09/97/820080997.db2.gz AHJGCYRXMFFCBT-HXUWFJFHSA-N 1 0 399.535 4.226 20 0 GIADRO CC(C)(C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1)N1CCCCC1 ZINC000026310894 820081203 /nfs/dbraw/zinc/08/12/03/820081203.db2.gz KXDNSKOTGFZLKO-UHFFFAOYSA-N 1 0 389.547 4.288 20 0 GIADRO COc1ccc(C(=O)Nc2cccc(C[NH2+]CC(C)(C)N3CCCCC3)c2)cc1 ZINC000026310884 820081371 /nfs/dbraw/zinc/08/13/71/820081371.db2.gz VJXJUJNATOLQCE-UHFFFAOYSA-N 1 0 395.547 4.302 20 0 GIADRO CC(=O)c1cccc(OCCCC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000058784154 823451354 /nfs/dbraw/zinc/45/13/54/823451354.db2.gz DPURZHFTEBSMEU-QHCPKHFHSA-N 1 0 394.515 4.002 20 0 GIADRO Cc1c(O)ccc2c(C[N@@H+]3CCC[C@H]3CC(=O)c3cccs3)cc(=O)oc12 ZINC000177392840 823452343 /nfs/dbraw/zinc/45/23/43/823452343.db2.gz CPNWXGJILDYKBP-HNNXBMFYSA-N 1 0 383.469 4.106 20 0 GIADRO COc1ccc(C[N@H+](C)CCC(=O)Nc2ccccc2Cl)cc1OC(F)F ZINC000026453517 820099738 /nfs/dbraw/zinc/09/97/38/820099738.db2.gz FSWIUDSFSVVSQN-UHFFFAOYSA-N 1 0 398.837 4.411 20 0 GIADRO C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000026485662 820103832 /nfs/dbraw/zinc/10/38/32/820103832.db2.gz OPZCDLKAEODSNZ-CRAIPNDOSA-N 1 0 383.517 4.039 20 0 GIADRO C[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000026485732 820103914 /nfs/dbraw/zinc/10/39/14/820103914.db2.gz ZEDMUYRNDIKWAK-MAUKXSAKSA-N 1 0 383.517 4.039 20 0 GIADRO COC1CCC(CC(=O)Nc2cc(C[NH+]3CCSCC3)ccc2C)CC1 ZINC000123054998 823454531 /nfs/dbraw/zinc/45/45/31/823454531.db2.gz QUIRCOCBVVMBQC-UHFFFAOYSA-N 1 0 376.566 4.078 20 0 GIADRO CCOc1cccc(C[NH2+]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)c1OC(F)F ZINC000189597968 823454908 /nfs/dbraw/zinc/45/49/08/823454908.db2.gz WPOBIMOBBRMUGN-SUMWQHHRSA-N 1 0 397.384 4.260 20 0 GIADRO O=C(C[N@H+](CCc1ccccc1)Cc1ccccc1)Nc1cccnc1Cl ZINC000026648859 820128061 /nfs/dbraw/zinc/12/80/61/820128061.db2.gz VYADAYBCMYCDLW-UHFFFAOYSA-N 1 0 379.891 4.418 20 0 GIADRO CCOc1cccc(C[NH2+]C[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)c1OC(F)F ZINC000189598010 823455248 /nfs/dbraw/zinc/45/52/48/823455248.db2.gz WPOBIMOBBRMUGN-CXAGYDPISA-N 1 0 397.384 4.260 20 0 GIADRO c1ccc2c(c1)C[C@H]1C[N@H+](Cc3ccccc3OCc3ccncc3)CCCN21 ZINC000573146104 823455250 /nfs/dbraw/zinc/45/52/50/823455250.db2.gz LTEWXLUPOOCEAW-QHCPKHFHSA-N 1 0 385.511 4.298 20 0 GIADRO O[C@H](COc1ccc(Oc2ccccc2)cc1)C[N@H+](Cc1ccccn1)C1CC1 ZINC000026713713 820135865 /nfs/dbraw/zinc/13/58/65/820135865.db2.gz XCXNDJPFFMCQQM-NRFANRHFSA-N 1 0 390.483 4.278 20 0 GIADRO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@@H]1COc1ccc(Cl)cc1 ZINC000026723292 820137058 /nfs/dbraw/zinc/13/70/58/820137058.db2.gz BQUXUHFBMUPAKI-MRXNPFEDSA-N 1 0 389.908 4.145 20 0 GIADRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000573148033 823455679 /nfs/dbraw/zinc/45/56/79/823455679.db2.gz YTPBBCZMHXHMMS-JEBQAFNWSA-N 1 0 381.442 4.035 20 0 GIADRO COc1cccc(-c2nnc(SCC[NH+](C)C)n2-c2ccc(Cl)cc2)c1 ZINC000058808700 823455878 /nfs/dbraw/zinc/45/58/78/823455878.db2.gz PZBKABZQVAQCMX-UHFFFAOYSA-N 1 0 388.924 4.250 20 0 GIADRO O[C@@H](CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1ccccc1F ZINC000026808183 820147963 /nfs/dbraw/zinc/14/79/63/820147963.db2.gz GRLXOTJIYQLCFT-DEOSSOPVSA-N 1 0 390.502 4.266 20 0 GIADRO O[C@@]1(C[NH2+]Cc2ccc(OCc3ccncc3)cc2)CCC[C@H](C(F)(F)F)C1 ZINC000189605388 823456976 /nfs/dbraw/zinc/45/69/76/823456976.db2.gz RBUHKFLJELUCAK-ICSRJNTNSA-N 1 0 394.437 4.234 20 0 GIADRO COc1ccc2[nH]cc(C3=CC[N@H+](CCOCC(F)(F)C(F)F)CC3)c2c1 ZINC000189606921 823457184 /nfs/dbraw/zinc/45/71/84/823457184.db2.gz XRYPQOKKFAWXAH-UHFFFAOYSA-N 1 0 386.389 4.183 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)c(C)c2)CC1 ZINC000026909506 820163287 /nfs/dbraw/zinc/16/32/87/820163287.db2.gz YOVLTUGXWVEZRP-UHFFFAOYSA-N 1 0 391.437 4.408 20 0 GIADRO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@H]1CCCCc2ccccc21 ZINC000177416415 823457474 /nfs/dbraw/zinc/45/74/74/823457474.db2.gz SOILUMYHLCPPBG-QFIPXVFZSA-N 1 0 386.561 4.072 20 0 GIADRO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]C[C@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000189609036 823457656 /nfs/dbraw/zinc/45/76/56/823457656.db2.gz CEIAYEJBKAHCKM-BEFAXECRSA-N 1 0 399.432 4.201 20 0 GIADRO COC(=O)[C@@H](C)[C@@H]([NH2+]CC(=O)Nc1c(Cl)cccc1Cl)c1ccccc1 ZINC000177418326 823457974 /nfs/dbraw/zinc/45/79/74/823457974.db2.gz QPLLIWHUBAXHHY-YVEFUNNKSA-N 1 0 395.286 4.072 20 0 GIADRO Cc1ccc([C@H](NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)C2CC2)cc1 ZINC000410307126 823458088 /nfs/dbraw/zinc/45/80/88/823458088.db2.gz QBUZAGOBIJKZFA-DEOSSOPVSA-N 1 0 391.559 4.452 20 0 GIADRO CC[C@H]1CN(C(=O)c2ccc(C[NH+]3CCSCC3)cc2)c2ccccc2O1 ZINC000460622706 823458506 /nfs/dbraw/zinc/45/85/06/823458506.db2.gz SRKVDYDHCNUZLY-IBGZPJMESA-N 1 0 382.529 4.053 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)Cc1cccc(C(F)(F)F)c1 ZINC000058820453 823458669 /nfs/dbraw/zinc/45/86/69/823458669.db2.gz GNVVYFROIDWAKJ-UHFFFAOYSA-N 1 0 378.438 4.405 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1ccc(C(=O)Nc2ccccc2)cc1)c1cccs1 ZINC000123086943 823459794 /nfs/dbraw/zinc/45/97/94/823459794.db2.gz XSVDYOZPUXBUBS-LJQANCHMSA-N 1 0 393.512 4.033 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)C(C)(C)c1ccccc1OC)Cc1ccccc1 ZINC000058796874 823453827 /nfs/dbraw/zinc/45/38/27/823453827.db2.gz BIQGPNLNCGIBIQ-FQEVSTJZSA-N 1 0 382.548 4.042 20 0 GIADRO O=C(Nc1ccccc1C(F)(F)F)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000058827984 823460358 /nfs/dbraw/zinc/46/03/58/823460358.db2.gz SSFBNLGOCDZUPR-MRXNPFEDSA-N 1 0 377.410 4.492 20 0 GIADRO COc1cccc(CN(CC[NH+](C)C)C(=O)c2cc3cc(Cl)sc3[nH]2)c1 ZINC000573174747 823460418 /nfs/dbraw/zinc/46/04/18/823460418.db2.gz HXDYVWSRNSKBCA-UHFFFAOYSA-N 1 0 391.924 4.095 20 0 GIADRO CC[C@@H](C[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1)N1CCc2ccccc2C1 ZINC000123089990 823460538 /nfs/dbraw/zinc/46/05/38/823460538.db2.gz UJTVYSIPXGPPIJ-GCJKJVERSA-N 1 0 393.531 4.131 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)Nc2cccc(OCCF)c2)CC1 ZINC000123115909 823464878 /nfs/dbraw/zinc/46/48/78/823464878.db2.gz VRFIAOSWGBNLAZ-QGZVFWFLSA-N 1 0 385.483 4.382 20 0 GIADRO C[C@@H](Cc1ccccc1)[NH+]1CCC(Nc2ccc3c(c2)N(C(N)=O)CCC3)CC1 ZINC000573175508 823460774 /nfs/dbraw/zinc/46/07/74/823460774.db2.gz ZYVSOYJPSVGSMT-SFHVURJKSA-N 1 0 392.547 4.025 20 0 GIADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@H+](C)[C@H](C)C(C)(C)C ZINC000027137378 820199619 /nfs/dbraw/zinc/19/96/19/820199619.db2.gz VBGMNQVTACIEON-SNVBAGLBSA-N 1 0 375.296 4.085 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1cccc(NC(=O)C2CC2)c1 ZINC000027140434 820200027 /nfs/dbraw/zinc/20/00/27/820200027.db2.gz ZSXOUOREHDYLEE-UHFFFAOYSA-N 1 0 377.488 4.273 20 0 GIADRO O=C(Cc1ccc(C(F)(F)F)cc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000027140191 820200047 /nfs/dbraw/zinc/20/00/47/820200047.db2.gz IORXCAZNEDKNFJ-UHFFFAOYSA-N 1 0 376.422 4.160 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000027140066 820200084 /nfs/dbraw/zinc/20/00/84/820200084.db2.gz HOHZSASEBKPUED-UHFFFAOYSA-N 1 0 377.488 4.273 20 0 GIADRO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000573203674 823464929 /nfs/dbraw/zinc/46/49/29/823464929.db2.gz QHCWUZAXDXCSAH-DJIMGWMZSA-N 1 0 387.524 4.350 20 0 GIADRO CC(C)Cn1c(C2CCC2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000460644527 823464948 /nfs/dbraw/zinc/46/49/48/823464948.db2.gz XMSFXQYWTPGVDQ-UHFFFAOYSA-N 1 0 385.531 4.053 20 0 GIADRO COc1ccc(C[NH2+]CCc2nc3c(cccc3C)o2)cc1Br ZINC000410318088 823461332 /nfs/dbraw/zinc/46/13/32/823461332.db2.gz OAGCGWMCYCXPOV-UHFFFAOYSA-N 1 0 375.266 4.240 20 0 GIADRO COc1cccc([C@@H](C[NH2+]Cc2ccccc2OCc2ccncc2)N(C)C)c1 ZINC000027217146 820210920 /nfs/dbraw/zinc/21/09/20/820210920.db2.gz WVGCTMKAEFGXDI-HSZRJFAPSA-N 1 0 391.515 4.062 20 0 GIADRO CC[C@H](C[NH2+]Cc1cc(Cl)c(OC)c(OC)c1)N1CCc2ccccc2C1 ZINC000027218732 820211395 /nfs/dbraw/zinc/21/13/95/820211395.db2.gz OPBUGESWXASGJJ-LJQANCHMSA-N 1 0 388.939 4.284 20 0 GIADRO COCc1ccc(C[NH2+]Cc2cccc(NC(=O)c3ccc(OC)cc3)c2)cc1 ZINC000027222364 820211779 /nfs/dbraw/zinc/21/17/79/820211779.db2.gz PGZXZPXARWPNQF-UHFFFAOYSA-N 1 0 390.483 4.384 20 0 GIADRO Cc1ccccc1[C@H]([C@@H](C)[NH2+][C@@H](C)c1ccc(Br)cn1)N(C)C ZINC000573178852 823461833 /nfs/dbraw/zinc/46/18/33/823461833.db2.gz RQVZRPHZEQRODT-KHYOSLBOSA-N 1 0 376.342 4.495 20 0 GIADRO O[C@@]1(C[NH2+]Cc2cc(Br)ccc2F)CCC[C@H](C(F)(F)F)C1 ZINC000189628109 823462192 /nfs/dbraw/zinc/46/21/92/823462192.db2.gz XKCJQARLIUNDRB-FZMZJTMJSA-N 1 0 384.211 4.161 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)COc1ccc(Cl)c2ccccc12)c1cccs1 ZINC000027317539 820223752 /nfs/dbraw/zinc/22/37/52/820223752.db2.gz BNZAHTXYUAJALB-QGZVFWFLSA-N 1 0 388.920 4.353 20 0 GIADRO CCCNC(=S)C(C(=O)c1ccc(OC)c(Cl)c1)[n+]1ccc(CC)cc1 ZINC000027316589 820223794 /nfs/dbraw/zinc/22/37/94/820223794.db2.gz KIOAFYPUKVKQOQ-UHFFFAOYSA-O 1 0 391.944 4.137 20 0 GIADRO O[C@]1(C[NH2+]Cc2ccccc2OCc2cccnc2)CCC[C@@H](C(F)(F)F)C1 ZINC000189629285 823462515 /nfs/dbraw/zinc/46/25/15/823462515.db2.gz AZMNKZAIZUTLRM-UYAOXDASSA-N 1 0 394.437 4.234 20 0 GIADRO Cc1cc(C(=O)C(C(=S)NC2CCCCC2)[n+]2cccc(C)c2)c(C)n1C ZINC000027329699 820225105 /nfs/dbraw/zinc/22/51/05/820225105.db2.gz OLODREBURJMSPN-UHFFFAOYSA-O 1 0 384.569 4.099 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccc(SC(F)(F)F)cc1 ZINC000027335295 820226478 /nfs/dbraw/zinc/22/64/78/820226478.db2.gz DERPIMRPWLBQKG-HNNXBMFYSA-N 1 0 384.423 4.458 20 0 GIADRO COc1cccc([C@@H](CNC(=O)Cc2ccc3ccccc3c2)[NH+]2CCCC2)c1 ZINC000027340661 820227016 /nfs/dbraw/zinc/22/70/16/820227016.db2.gz AIVSLXDXINIYBY-XMMPIXPASA-N 1 0 388.511 4.344 20 0 GIADRO COc1cccc([C@H](CNC(=O)Cc2ccc3ccccc3c2)[NH+]2CCCC2)c1 ZINC000027340663 820227261 /nfs/dbraw/zinc/22/72/61/820227261.db2.gz AIVSLXDXINIYBY-DEOSSOPVSA-N 1 0 388.511 4.344 20 0 GIADRO COc1cccc([C@H](CNC(=O)CCc2ccc(Cl)cc2)[NH+]2CCCC2)c1 ZINC000027342610 820227540 /nfs/dbraw/zinc/22/75/40/820227540.db2.gz KHCZNVZZCDIGQB-NRFANRHFSA-N 1 0 386.923 4.235 20 0 GIADRO O[C@]1(C[NH2+]Cc2ccc(-c3ccncc3)cc2F)CCC[C@H](C(F)(F)F)C1 ZINC000189632710 823463136 /nfs/dbraw/zinc/46/31/36/823463136.db2.gz PRMBKXBFKVKMIO-PKOBYXMFSA-N 1 0 382.401 4.461 20 0 GIADRO CC1(C(=O)N[C@H]2CCOc3c(F)cccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000189632517 823463219 /nfs/dbraw/zinc/46/32/19/823463219.db2.gz XVQBVLQLCKOIHW-FQEVSTJZSA-N 1 0 382.479 4.068 20 0 GIADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)CCc2c[nH]c3ccccc23)CC1 ZINC000027386578 820236990 /nfs/dbraw/zinc/23/69/90/820236990.db2.gz MCSBVXGMZJPREN-UHFFFAOYSA-N 1 0 375.516 4.143 20 0 GIADRO Cc1ccc(CNC(=O)C2CC[NH+](Cc3cnc4ccccc4c3)CC2)cc1F ZINC000410324101 823463398 /nfs/dbraw/zinc/46/33/98/823463398.db2.gz QVLRHBDOXNGKQN-UHFFFAOYSA-N 1 0 391.490 4.211 20 0 GIADRO Cc1ccc([C@@H](C)NC(=O)C[N@H+](Cc2ccc(F)cc2)C2CCOCC2)cc1C ZINC000573193221 823463481 /nfs/dbraw/zinc/46/34/81/823463481.db2.gz XKMYTRMJRFLYKG-LJQANCHMSA-N 1 0 398.522 4.301 20 0 GIADRO O[C@]1(C[NH2+]Cc2cccc(OCc3ccccn3)c2)CCC[C@H](C(F)(F)F)C1 ZINC000189634791 823463542 /nfs/dbraw/zinc/46/35/42/823463542.db2.gz BRONQTYLRATGJV-FXAWDEMLSA-N 1 0 394.437 4.234 20 0 GIADRO C[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000027399104 820240261 /nfs/dbraw/zinc/24/02/61/820240261.db2.gz DAPFJXFDYRIAGK-QGZVFWFLSA-N 1 0 377.488 4.142 20 0 GIADRO CC(C)[NH+]1CCN(CC(=O)Nc2ccc(Oc3ccccc3Cl)cc2)CC1 ZINC000027421899 820242331 /nfs/dbraw/zinc/24/23/31/820242331.db2.gz UFBLNKLBRLJMDV-UHFFFAOYSA-N 1 0 387.911 4.097 20 0 GIADRO CC(C)[C@H]([NH2+]CC(=O)N1CCc2[nH]c3ccccc3c2C1)c1ccc(F)cc1 ZINC000027453610 820246910 /nfs/dbraw/zinc/24/69/10/820246910.db2.gz DLNKHWJKPGTYLX-QHCPKHFHSA-N 1 0 379.479 4.179 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)Nc1ccc(-c2nccs2)cc1 ZINC000058866402 823464121 /nfs/dbraw/zinc/46/41/21/823464121.db2.gz YGLYFUOPSGOLER-QGZVFWFLSA-N 1 0 382.489 4.362 20 0 GIADRO CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH2+]CC1(c2ccccc2Cl)CCOCC1 ZINC000177447569 823464180 /nfs/dbraw/zinc/46/41/80/823464180.db2.gz HJEZSRNETXQKTP-ZWKOTPCHSA-N 1 0 392.971 4.157 20 0 GIADRO C[C@H](CC(=O)N1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1)[C@@H]1CCC[NH2+]C1 ZINC000573204181 823465367 /nfs/dbraw/zinc/46/53/67/823465367.db2.gz MJLXKYBWOZPYCD-YFVAEKQCSA-N 1 0 380.536 4.156 20 0 GIADRO COc1ccc(SCCC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000058879934 823465460 /nfs/dbraw/zinc/46/54/60/823465460.db2.gz UMGAKLCFQPTJMN-UHFFFAOYSA-N 1 0 390.593 4.292 20 0 GIADRO CC1CC[NH+]([C@H](CNC(=O)CCc2ccc(N(C)C)cc2)c2cccs2)CC1 ZINC000027574460 820261960 /nfs/dbraw/zinc/26/19/60/820261960.db2.gz NZMKJTLNZPVOGP-OAQYLSRUSA-N 1 0 399.604 4.336 20 0 GIADRO Cn1c2ccccc2c2cc(C(=O)NC[C@@H](Cc3ccccc3)[NH+](C)C)sc21 ZINC000027580341 820263388 /nfs/dbraw/zinc/26/33/88/820263388.db2.gz VXDPGJMSWSHEBA-QGZVFWFLSA-N 1 0 391.540 4.296 20 0 GIADRO CSCc1c2ccccc2oc1C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000027580433 820263420 /nfs/dbraw/zinc/26/34/20/820263420.db2.gz UQZCSHFZADONTD-KRWDZBQOSA-N 1 0 382.529 4.199 20 0 GIADRO O=C(Cc1csc(-c2ccccc2)n1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000027602981 820265622 /nfs/dbraw/zinc/26/56/22/820265622.db2.gz PXUFYCCLXHOZKI-GOSISDBHSA-N 1 0 397.569 4.367 20 0 GIADRO CCCn1c(C)c(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)c2cc(OC)ccc21 ZINC000027678748 820274317 /nfs/dbraw/zinc/27/43/17/820274317.db2.gz MIBZWQWMVFVQET-IBGZPJMESA-N 1 0 399.560 4.463 20 0 GIADRO COc1ccc(Cl)cc1NCCC(=O)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000058884195 823466410 /nfs/dbraw/zinc/46/64/10/823466410.db2.gz IYOGGWBWONVIRV-SOLBZPMBSA-N 1 0 393.959 4.014 20 0 GIADRO Cc1cc(CSc2ccccc2C(=O)NC2CC[NH+](C3CCCC3)CC2)on1 ZINC000177454609 823466532 /nfs/dbraw/zinc/46/65/32/823466532.db2.gz OUKMPOPUPBDXEB-UHFFFAOYSA-N 1 0 399.560 4.412 20 0 GIADRO Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000027755798 820282547 /nfs/dbraw/zinc/28/25/47/820282547.db2.gz PSCGELHANJZFLP-ZDUSSCGKSA-N 1 0 377.941 4.376 20 0 GIADRO Cc1noc(C)c1CSc1ccccc1C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000027764891 820284419 /nfs/dbraw/zinc/28/44/19/820284419.db2.gz ZBOYARGMBUYPKH-HNNXBMFYSA-N 1 0 387.549 4.188 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)COc1cc(Cl)ccc1Cl)c1ccco1 ZINC000058892740 823467378 /nfs/dbraw/zinc/46/73/78/823467378.db2.gz GSOYRTOYJWAFNO-OAHLLOKOSA-N 1 0 385.291 4.165 20 0 GIADRO Cc1cn(C2CCCCC2)[nH]c1=NC(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000573220196 823467493 /nfs/dbraw/zinc/46/74/93/823467493.db2.gz BDTJHJOKEZIGJO-NRFANRHFSA-N 1 0 391.519 4.093 20 0 GIADRO FC(F)(F)c1cccc(OCCC[NH+]2CCC(OC[C@@H]3CCCO3)CC2)c1 ZINC000177462584 823467997 /nfs/dbraw/zinc/46/79/97/823467997.db2.gz PXCUSZBCZRVFQE-IBGZPJMESA-N 1 0 387.442 4.134 20 0 GIADRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)c1cc(F)c(F)cc1Cl ZINC000027938716 820299205 /nfs/dbraw/zinc/29/92/05/820299205.db2.gz NKBKLVKQKYUPKK-UHFFFAOYSA-N 1 0 378.850 4.055 20 0 GIADRO CO[C@@H](CNC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)c1ccccc1 ZINC000410346685 823469148 /nfs/dbraw/zinc/46/91/48/823469148.db2.gz KECXZKOGLYWYIM-XXBNENTESA-N 1 0 395.547 4.248 20 0 GIADRO COc1ccc([C@H]2CCCN2C(=O)C[N@@H+]2CCC[C@@H]2c2ccccc2)cc1OC ZINC000028173432 820315094 /nfs/dbraw/zinc/31/50/94/820315094.db2.gz NGBVSDALBNAEKW-NHCUHLMSSA-N 1 0 394.515 4.204 20 0 GIADRO CC[C@H](NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)c1nccs1 ZINC000123144941 823469633 /nfs/dbraw/zinc/46/96/33/823469633.db2.gz JPGHQRLILMCPES-LPHOPBHVSA-N 1 0 386.565 4.326 20 0 GIADRO O=C(C[N@H+]1CCC[C@H]1c1ccc(F)cc1)N1CCc2[nH]c3ccccc3c2C1 ZINC000028281375 820322510 /nfs/dbraw/zinc/32/25/10/820322510.db2.gz SZHOAXDAWWIECK-QFIPXVFZSA-N 1 0 377.463 4.029 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)c1 ZINC000028337010 820326247 /nfs/dbraw/zinc/32/62/47/820326247.db2.gz AHWKRZMYBINLBE-QWHCGFSZSA-N 1 0 393.409 4.342 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N(C)CCc1ccccc1 ZINC000410348433 823469911 /nfs/dbraw/zinc/46/99/11/823469911.db2.gz JRTSULXQYJFMOE-FQEVSTJZSA-N 1 0 379.548 4.445 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(Cl)c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000028347302 820327328 /nfs/dbraw/zinc/32/73/28/820327328.db2.gz JAQRGGKRHJIOLO-KGLIPLIRSA-N 1 0 385.895 4.366 20 0 GIADRO Cc1c(O)ccc2c(C[NH2+][C@@H](C)c3ccc(NC(=O)C4CC4)cc3)cc(=O)oc12 ZINC000028348195 820327351 /nfs/dbraw/zinc/32/73/51/820327351.db2.gz PAZSBCQFQDYPAU-AWEZNQCLSA-N 1 0 392.455 4.006 20 0 GIADRO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1F ZINC000028350303 820328063 /nfs/dbraw/zinc/32/80/63/820328063.db2.gz OOHLQZVZSRNCIY-LSDHHAIUSA-N 1 0 383.467 4.160 20 0 GIADRO CCOc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1 ZINC000028350710 820328471 /nfs/dbraw/zinc/32/84/71/820328471.db2.gz VDRZKOOYVHSLMZ-JKSUJKDBSA-N 1 0 395.503 4.112 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1)C(=O)NCc1ccccc1Cl ZINC000028350459 820328539 /nfs/dbraw/zinc/32/85/39/820328539.db2.gz BOVNFIBHXGENFD-GJZGRUSLSA-N 1 0 399.922 4.044 20 0 GIADRO COc1cccc(NC(=O)[C@@H]([NH2+]CCOc2ccccc2)c2ccccc2)c1 ZINC000028375271 820330303 /nfs/dbraw/zinc/33/03/03/820330303.db2.gz UGUMWYRHTKWMSB-QFIPXVFZSA-N 1 0 376.456 4.044 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)N[C@@H]1CCSc2ccc(F)cc21 ZINC000028391051 820331937 /nfs/dbraw/zinc/33/19/37/820331937.db2.gz ZTKKHRJIDJNPPG-HXUWFJFHSA-N 1 0 399.535 4.458 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)N[C@@H]2CCSc3ccc(Cl)cc32)c1 ZINC000028399471 820332865 /nfs/dbraw/zinc/33/28/65/820332865.db2.gz AQDFFWIYUXTJSQ-GOSISDBHSA-N 1 0 389.952 4.438 20 0 GIADRO COc1ccc(NC(=O)[C@@H]([NH2+]CCc2ccc(F)cc2)c2ccccc2)cc1 ZINC000028621977 820345829 /nfs/dbraw/zinc/34/58/29/820345829.db2.gz KHEYLVXDJSNTCU-QFIPXVFZSA-N 1 0 378.447 4.346 20 0 GIADRO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N(CCc1ccccc1)c1ccccc1 ZINC000573263560 823472884 /nfs/dbraw/zinc/47/28/84/823472884.db2.gz AXOKPCKMONPOMY-HSZRJFAPSA-N 1 0 394.584 4.480 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H](C)C[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC000177484005 823473070 /nfs/dbraw/zinc/47/30/70/823473070.db2.gz LNMOBQACXKUJEF-FTRWYGJKSA-N 1 0 389.540 4.474 20 0 GIADRO CCc1nnc(-c2ccc(NC(=O)NC[C@@H](CC(C)C)[NH+](CC)CC)cc2)o1 ZINC000177485406 823473744 /nfs/dbraw/zinc/47/37/44/823473744.db2.gz GRFZLDBXCJRKGP-GOSISDBHSA-N 1 0 387.528 4.177 20 0 GIADRO O=C(CC[NH+]1CCN(Cc2ccsc2)CC1)Nc1cc(Cl)ccc1Cl ZINC000028890175 820367470 /nfs/dbraw/zinc/36/74/70/820367470.db2.gz PFTNCIMVMXCALW-UHFFFAOYSA-N 1 0 398.359 4.201 20 0 GIADRO COc1ccc(OCC[N@H+](C)CCC(=O)Nc2cccc3ccccc32)cc1 ZINC000028897255 820369284 /nfs/dbraw/zinc/36/92/84/820369284.db2.gz KSILROZBSWEEIZ-UHFFFAOYSA-N 1 0 378.472 4.188 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)c1 ZINC000028917895 820372518 /nfs/dbraw/zinc/37/25/18/820372518.db2.gz DZAOGIGMVIVENF-PXAZEXFGSA-N 1 0 397.302 4.042 20 0 GIADRO CC(C)c1ccccc1OC[C@@H](O)C[NH2+][C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000028919391 820373435 /nfs/dbraw/zinc/37/34/35/820373435.db2.gz IHWNRORLDZDUEP-UTKZUKDTSA-N 1 0 396.531 4.249 20 0 GIADRO COc1cc2c(cc1C[NH2+]Cc1cccc(NC(=O)C3CCC3)c1)O[C@@H](C)C2 ZINC000028926991 820374876 /nfs/dbraw/zinc/37/48/76/820374876.db2.gz VWFHWKNXCPZGAJ-HNNXBMFYSA-N 1 0 380.488 4.047 20 0 GIADRO COCC(=O)Nc1cccc(C[NH2+]Cc2ccc(N(C)c3ccccc3)cc2)c1 ZINC000028960794 820377285 /nfs/dbraw/zinc/37/72/85/820377285.db2.gz UOSSBPGRRRHLKB-UHFFFAOYSA-N 1 0 389.499 4.329 20 0 GIADRO CSc1ccccc1NC(=O)CC[NH+]1CCC(OCC2CCCC2)CC1 ZINC000177491971 823475036 /nfs/dbraw/zinc/47/50/36/823475036.db2.gz HADMRUCVLDGQLM-UHFFFAOYSA-N 1 0 376.566 4.408 20 0 GIADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 ZINC000058954063 823475361 /nfs/dbraw/zinc/47/53/61/823475361.db2.gz MDTKZVTXNSXVRU-UHFFFAOYSA-N 1 0 377.532 4.124 20 0 GIADRO O=C(NC1CC[NH+](C2CC2)CC1)c1oc2ccccc2c1COc1ccccc1 ZINC000029090583 820391616 /nfs/dbraw/zinc/39/16/16/820391616.db2.gz NENWRFKTXLRORC-UHFFFAOYSA-N 1 0 390.483 4.368 20 0 GIADRO O=C(Nc1cccc(OCCF)c1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000123187743 823476014 /nfs/dbraw/zinc/47/60/14/823476014.db2.gz ARDHWDNGOVGNHJ-GOSISDBHSA-N 1 0 377.504 4.155 20 0 GIADRO CC(C)(CNC(=O)Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000029161246 820403020 /nfs/dbraw/zinc/40/30/20/820403020.db2.gz KSIXZYAAMULPAM-UHFFFAOYSA-N 1 0 390.449 4.201 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)c1ccccc1 ZINC000029166174 820403486 /nfs/dbraw/zinc/40/34/86/820403486.db2.gz CJNOGVXRVKTSLB-LJQANCHMSA-N 1 0 395.547 4.291 20 0 GIADRO O=C(c1cccc(F)c1)N1CCC[N@H+](CCOc2ccc3ccccc3c2)CC1 ZINC000029224674 820414060 /nfs/dbraw/zinc/41/40/60/820414060.db2.gz GJRBOYBZTSWVNK-UHFFFAOYSA-N 1 0 392.474 4.206 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@@H]2Cc2ccccc2OC)cc1 ZINC000058983031 823478656 /nfs/dbraw/zinc/47/86/56/823478656.db2.gz VHXANCCALHVFNB-JOCHJYFZSA-N 1 0 380.532 4.384 20 0 GIADRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)Nc3ccc4c(c3)CCC4)cc2)C[C@H](C)O1 ZINC000410372092 823478953 /nfs/dbraw/zinc/47/89/53/823478953.db2.gz UNMAYAQFOCIPAZ-ROUUACIJSA-N 1 0 393.531 4.106 20 0 GIADRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)Nc3ccc4c(c3)CCC4)cc2)C[C@@H](C)O1 ZINC000410372090 823478965 /nfs/dbraw/zinc/47/89/65/823478965.db2.gz UNMAYAQFOCIPAZ-QZTJIDSGSA-N 1 0 393.531 4.106 20 0 GIADRO O=C(Nc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1)c1ccccc1 ZINC000573355240 823483590 /nfs/dbraw/zinc/48/35/90/823483590.db2.gz IXAUVEVXUZEHJL-DNVJHFABSA-N 1 0 377.532 4.339 20 0 GIADRO C[N@@H+]1CC[C@H](NC(=O)Nc2cccc(CC(F)(F)F)c2)[C@@H]1c1ccccc1 ZINC000189705537 823479431 /nfs/dbraw/zinc/47/94/31/823479431.db2.gz JPPHPUIWETVLGE-ROUUACIJSA-N 1 0 377.410 4.358 20 0 GIADRO Cc1cc2occ(CC(=O)NCC3([NH+]4CCSCC4)CCCC3)c2cc1C ZINC000029368963 820445054 /nfs/dbraw/zinc/44/50/54/820445054.db2.gz GZOAQISYQPRUQV-UHFFFAOYSA-N 1 0 386.561 4.070 20 0 GIADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)C1(c2cccc(F)c2)CCCC1 ZINC000029370210 820445164 /nfs/dbraw/zinc/44/51/64/820445164.db2.gz SGTGEIXNSXHXSU-UHFFFAOYSA-N 1 0 390.568 4.115 20 0 GIADRO [NH3+]C1CCC(OCC(=O)Nc2ccc(NCc3ccccc3)c(Cl)c2)CC1 ZINC000573320959 823479804 /nfs/dbraw/zinc/47/98/04/823479804.db2.gz UYLBXMQSODLIOX-UHFFFAOYSA-N 1 0 387.911 4.177 20 0 GIADRO Cc1cccc(N2CC[NH+](Cc3ccc(NC(=O)c4ccco4)cc3)CC2)c1 ZINC000029417763 820453323 /nfs/dbraw/zinc/45/33/23/820453323.db2.gz JPAUSIXSOAUVFB-UHFFFAOYSA-N 1 0 375.472 4.163 20 0 GIADRO Cc1cc2occ(CC(=O)N(CC[NH+](C)C)Cc3ccccc3F)c2cc1C ZINC000058991454 823480358 /nfs/dbraw/zinc/48/03/58/823480358.db2.gz FOJBVNIYBHCCIQ-UHFFFAOYSA-N 1 0 382.479 4.322 20 0 GIADRO CC(C)c1[nH+]c(CNCc2cccnc2OCC(F)(F)F)c2ccccn21 ZINC000573330175 823480889 /nfs/dbraw/zinc/48/08/89/823480889.db2.gz INRFBUSQJCPSKH-UHFFFAOYSA-N 1 0 378.398 4.084 20 0 GIADRO Cc1ccccc1-c1nnc(SCC[NH+]2CCCCC2)n1Cc1ccco1 ZINC000123223250 823480924 /nfs/dbraw/zinc/48/09/24/823480924.db2.gz IKQNRKSEANCSMQ-UHFFFAOYSA-N 1 0 382.533 4.473 20 0 GIADRO O=C(C[NH+]1C[C@H]2CCCC[C@@H]2C1)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000177521421 823481373 /nfs/dbraw/zinc/48/13/73/823481373.db2.gz SOXOOGNOKJPMTL-HZPDHXFCSA-N 1 0 383.517 4.061 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)CCOc2cccc(Cl)c2Cl)CC1 ZINC000059003919 823481893 /nfs/dbraw/zinc/48/18/93/823481893.db2.gz NEGYUIBOKCEKRI-UHFFFAOYSA-N 1 0 387.351 4.341 20 0 GIADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)N[C@@H](c2ccsc2)c2ccc(Cl)cc2)C1 ZINC000573345423 823482273 /nfs/dbraw/zinc/48/22/73/823482273.db2.gz WOCSQSYPMXGIGB-FSPWUOQZSA-N 1 0 377.941 4.308 20 0 GIADRO COc1ccc(NC(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c2cccnc12 ZINC000123230993 823482442 /nfs/dbraw/zinc/48/24/42/823482442.db2.gz XCTSVNGQSNVCAI-GOSISDBHSA-N 1 0 396.535 4.219 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C)c(C)c3)nc2)C1 ZINC000177527055 823482529 /nfs/dbraw/zinc/48/25/29/823482529.db2.gz RIDOBLSJXXQAKE-GOSISDBHSA-N 1 0 382.508 4.296 20 0 GIADRO COc1cccc(CNC(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)c1 ZINC000029655188 820494455 /nfs/dbraw/zinc/49/44/55/820494455.db2.gz JMGVUDZVADMSFL-LJQANCHMSA-N 1 0 387.549 4.029 20 0 GIADRO Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000059037479 823484240 /nfs/dbraw/zinc/48/42/40/823484240.db2.gz JAWUBFIXGWIKFU-ROUUACIJSA-N 1 0 385.508 4.331 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)c2cc3cc(OC)ccc3nc2C)cc1 ZINC000029706736 820502664 /nfs/dbraw/zinc/50/26/64/820502664.db2.gz LNOUVXFGPAGJGK-UHFFFAOYSA-N 1 0 391.515 4.324 20 0 GIADRO Fc1ccc(CN2CCC[N@H+](Cc3cc(-c4ccc(F)cc4)no3)CC2)cc1 ZINC000029712336 820503917 /nfs/dbraw/zinc/50/39/17/820503917.db2.gz ADLFQAGXUCMJCR-UHFFFAOYSA-N 1 0 383.442 4.328 20 0 GIADRO C[C@H]1Oc2ccccc2[C@@H]1NC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000573361184 823484451 /nfs/dbraw/zinc/48/44/51/823484451.db2.gz RJUATOGZZZQLOF-VGOFRKELSA-N 1 0 379.504 4.359 20 0 GIADRO CN(C)c1ccccc1-c1noc([C@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)n1 ZINC000573365111 823485056 /nfs/dbraw/zinc/48/50/56/823485056.db2.gz SHWGBSQKZXLFIJ-GOSISDBHSA-N 1 0 398.457 4.427 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccc(Cl)c2cccnc12 ZINC000029758465 820511134 /nfs/dbraw/zinc/51/11/34/820511134.db2.gz PRFOBCKODGNUMO-SFHVURJKSA-N 1 0 383.879 4.438 20 0 GIADRO COc1ccc(C(=O)NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)c(F)c1 ZINC000059060720 823485213 /nfs/dbraw/zinc/48/52/13/823485213.db2.gz VCWZGMAWIAFPGT-CALCHBBNSA-N 1 0 384.495 4.242 20 0 GIADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)CCC(=O)c2ccccc2)C1 ZINC000059060826 823485266 /nfs/dbraw/zinc/48/52/66/823485266.db2.gz BKINTWOQFHVVAW-WOJBJXKFSA-N 1 0 392.543 4.444 20 0 GIADRO COc1ccc(C(=O)NCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)c(F)c1 ZINC000059060723 823485341 /nfs/dbraw/zinc/48/53/41/823485341.db2.gz VCWZGMAWIAFPGT-IRXDYDNUSA-N 1 0 384.495 4.242 20 0 GIADRO Cc1ccc(CCC(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)s1 ZINC000573371285 823485769 /nfs/dbraw/zinc/48/57/69/823485769.db2.gz SXCCAMKTUJMEOZ-UHFFFAOYSA-N 1 0 383.561 4.160 20 0 GIADRO O=C(NCc1ccccc1OCC1CC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177539281 823485814 /nfs/dbraw/zinc/48/58/14/823485814.db2.gz WCSQCDZGDRGBKX-UHFFFAOYSA-N 1 0 385.552 4.072 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc4c(cccc4F)s3)cc2)CC1 ZINC000029798693 820521167 /nfs/dbraw/zinc/52/11/67/820521167.db2.gz KYNZVVYFBKZCDG-UHFFFAOYSA-N 1 0 383.492 4.435 20 0 GIADRO O=C(C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1)NC12CC3CC(CC(C3)C1)C2 ZINC000029824771 820525147 /nfs/dbraw/zinc/52/51/47/820525147.db2.gz LIQNBHUCGIILPR-PQLNIDLTSA-N 1 0 393.531 4.092 20 0 GIADRO CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029827899 820526804 /nfs/dbraw/zinc/52/68/04/820526804.db2.gz JVVJZAXWXSCCIQ-OXQOHEQNSA-N 1 0 393.487 4.433 20 0 GIADRO C[C@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029828823 820527545 /nfs/dbraw/zinc/52/75/45/820527545.db2.gz YPBHSRGOQJLSEZ-NVXWUHKLSA-N 1 0 395.528 4.042 20 0 GIADRO CC[C@H](CNC(=O)CCc1cc2ccccc2o1)[N@@H+]1CCc2ccccc2C1 ZINC000029911242 820545973 /nfs/dbraw/zinc/54/59/73/820545973.db2.gz ZDIRHXIQJLEMIU-OAQYLSRUSA-N 1 0 376.500 4.319 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1cc(-c2csc(C)n2)c[nH]1)Cc1ccccc1 ZINC000029918933 820548089 /nfs/dbraw/zinc/54/80/89/820548089.db2.gz GIVJGAWGSZTOPJ-IBGZPJMESA-N 1 0 396.560 4.130 20 0 GIADRO CSc1ccc([C@H](CNC(=O)CCc2cc(Cl)cs2)[NH+](C)C)cc1 ZINC000573401871 823488378 /nfs/dbraw/zinc/48/83/78/823488378.db2.gz YWDHIGDRFZKVMP-KRWDZBQOSA-N 1 0 382.982 4.475 20 0 GIADRO Cc1nn(-c2ccc(C(=O)Nc3ccc(C[NH+](C)C)cc3)cc2)c(C)c1Cl ZINC000029952652 820556505 /nfs/dbraw/zinc/55/65/05/820556505.db2.gz GWEUNBCHLXUZNN-UHFFFAOYSA-N 1 0 382.895 4.456 20 0 GIADRO Cc1ccccc1C[N@@H+]1CCCN(Cc2ncc(-c3ccc(F)cc3)o2)CC1 ZINC000030153983 820580610 /nfs/dbraw/zinc/58/06/10/820580610.db2.gz DYMLBVAUPBHZKN-UHFFFAOYSA-N 1 0 379.479 4.497 20 0 GIADRO Cc1cc(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)ccc1NC(=O)CC(C)C ZINC000460720439 823494172 /nfs/dbraw/zinc/49/41/72/823494172.db2.gz CGBXBFANDNEIBR-OAQYLSRUSA-N 1 0 387.568 4.220 20 0 GIADRO Clc1ccc(Cc2nc(CN3CCC[C@@H]([NH+]4CCCC4)C3)cs2)cc1 ZINC000059386258 823494601 /nfs/dbraw/zinc/49/46/01/823494601.db2.gz REGQNAHAYQSBEV-LJQANCHMSA-N 1 0 375.969 4.448 20 0 GIADRO Cc1cc2oc(=O)cc(C[NH+]3CCC(C(=O)N(C)C(C)C)CC3)c2cc1C(C)C ZINC000030271729 820593268 /nfs/dbraw/zinc/59/32/68/820593268.db2.gz QYJRNLJFYJQHIY-UHFFFAOYSA-N 1 0 398.547 4.304 20 0 GIADRO CC[C@H](CNC(=O)N1CCC[C@@H]1c1cccs1)[N@@H+]1CCc2ccccc2C1 ZINC000059308496 823490781 /nfs/dbraw/zinc/49/07/81/823490781.db2.gz ZEPCYMLZJYYRNK-WOJBJXKFSA-N 1 0 383.561 4.432 20 0 GIADRO Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)[NH2+]Cc1ccnn1C ZINC000177560574 823491136 /nfs/dbraw/zinc/49/11/36/823491136.db2.gz AZFBXGUVVHVHQO-NSHDSACASA-N 1 0 391.338 4.465 20 0 GIADRO C[C@H](C1CC1)n1cc(NC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)cn1 ZINC000189789961 823495070 /nfs/dbraw/zinc/49/50/70/823495070.db2.gz ZCTSPRNUGIYFTN-LJQANCHMSA-N 1 0 395.551 4.027 20 0 GIADRO Nc1ccc(F)c(NC(=O)CC[N@H+](Cc2cc(F)ccc2F)C2CCCC2)c1 ZINC000177561760 823491550 /nfs/dbraw/zinc/49/15/50/823491550.db2.gz WRSDOBSSIFMCPN-UHFFFAOYSA-N 1 0 391.437 4.460 20 0 GIADRO Cc1ccccc1NC(=O)[C@H](C)[NH2+]Cc1cccc(COCc2ccco2)c1 ZINC000030511134 820627850 /nfs/dbraw/zinc/62/78/50/820627850.db2.gz UIHCLDAGLKSOPS-SFHVURJKSA-N 1 0 378.472 4.422 20 0 GIADRO CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@H](c2ccc(C(C)C)cc2)C(C)C)cc1 ZINC000030530716 820633124 /nfs/dbraw/zinc/63/31/24/820633124.db2.gz BQKPAVZJNPEPRK-VWNXMTODSA-N 1 0 398.547 4.495 20 0 GIADRO COc1cc([C@@H](C)[NH2+]C[C@@H](O)COc2cc(C)ccc2C)ccc1OC(C)C ZINC000030533686 820634090 /nfs/dbraw/zinc/63/40/90/820634090.db2.gz DPMDRDJJZGZMCO-UYAOXDASSA-N 1 0 387.520 4.190 20 0 GIADRO COc1cc([C@@H](C)[NH2+]C[C@@H](O)COc2c(C)cccc2C)ccc1OC(C)C ZINC000030533625 820634095 /nfs/dbraw/zinc/63/40/95/820634095.db2.gz BRZZUGBCKFIPOF-UYAOXDASSA-N 1 0 387.520 4.190 20 0 GIADRO COc1cccc([C@@H](C[NH2+]Cc2ccccc2OCc2cccnc2)N(C)C)c1 ZINC000030543712 820637158 /nfs/dbraw/zinc/63/71/58/820637158.db2.gz PXGFEMUZTVMZHT-HSZRJFAPSA-N 1 0 391.515 4.062 20 0 GIADRO C[NH+](C)[C@@H](CNc1nn2cc(-c3ccc(F)cc3)nc2s1)c1ccc(F)cc1 ZINC000059394346 823495228 /nfs/dbraw/zinc/49/52/28/823495228.db2.gz KLSUVAJWYSDXDG-SFHVURJKSA-N 1 0 399.470 4.451 20 0 GIADRO C/C=C\c1ccc(OC[C@@H](O)C[NH+]2CCC(CC(F)(F)F)CC2)c(OC)c1 ZINC000573466268 823493413 /nfs/dbraw/zinc/49/34/13/823493413.db2.gz QBJCAVKVYFKACV-LIMHQNJXSA-N 1 0 387.442 4.132 20 0 GIADRO COc1cc(C[NH2+]CCN(C)c2ccccc2)ccc1OCc1c(C)noc1C ZINC000030633766 820654917 /nfs/dbraw/zinc/65/49/17/820654917.db2.gz KRKRSMUIQKSLDY-UHFFFAOYSA-N 1 0 395.503 4.105 20 0 GIADRO Clc1ccc(OCc2cccnc2)c(C[NH2+]CCc2cn3ccccc3n2)c1 ZINC000030661377 820660737 /nfs/dbraw/zinc/66/07/37/820660737.db2.gz DGOIVLYYTPZMSO-UHFFFAOYSA-N 1 0 392.890 4.294 20 0 GIADRO CC(C)C[C@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1)N(C)C ZINC000030663804 820661471 /nfs/dbraw/zinc/66/14/71/820661471.db2.gz QRAFNVRZHSZDOM-JOCHJYFZSA-N 1 0 377.536 4.000 20 0 GIADRO COc1cc2c(cc1OC)C[N@H+](CCC(=O)Nc1cccc3ccccc31)CC2 ZINC000030673225 820663403 /nfs/dbraw/zinc/66/34/03/820663403.db2.gz CJBCYGMRKVUEOB-UHFFFAOYSA-N 1 0 390.483 4.244 20 0 GIADRO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1cc(=O)oc2cc(O)c(CC)cc12 ZINC000059423170 823496114 /nfs/dbraw/zinc/49/61/14/823496114.db2.gz COKUFEGXBAJNHV-UHFFFAOYSA-N 1 0 379.456 4.258 20 0 GIADRO Cc1ccc(Br)cc1C(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000460726555 823496167 /nfs/dbraw/zinc/49/61/67/823496167.db2.gz CMTFESUDIVNLCI-GJZGRUSLSA-N 1 0 381.358 4.245 20 0 GIADRO C[C@H]1CCN(C(=O)c2cc(Br)ccc2Cl)C[C@@H]1n1ccnc1 ZINC000123327646 823496905 /nfs/dbraw/zinc/49/69/05/823496905.db2.gz RALRQQWSCRGZLW-NHYWBVRUSA-N 1 0 382.689 4.022 20 0 GIADRO COc1cc(C(=O)Nc2ccc(C[NH+](C)C)cc2)ccc1OCc1cscn1 ZINC000030774489 820681024 /nfs/dbraw/zinc/68/10/24/820681024.db2.gz KUAPNKXJUMIOCX-UHFFFAOYSA-N 1 0 397.500 4.045 20 0 GIADRO COc1ccc(C[C@@H](C)[NH2+]C[C@@H](O)c2ccc(Cl)c(Cl)c2)cc1OC ZINC000059700379 823497297 /nfs/dbraw/zinc/49/72/97/823497297.db2.gz AWHAHHVOZVUTPH-SJKOYZFVSA-N 1 0 384.303 4.265 20 0 GIADRO C[C@H](C(=O)Nc1cccc2ccccc21)[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000177589231 823497302 /nfs/dbraw/zinc/49/73/02/823497302.db2.gz HXEDCDNZMDSEKM-WIYYLYMNSA-N 1 0 396.531 4.217 20 0 GIADRO CO[C@H]1CCCC[C@@H]1C(=O)N(c1cccc(SC)c1)C1CC[NH+](C)CC1 ZINC000410473161 823498064 /nfs/dbraw/zinc/49/80/64/823498064.db2.gz UZQUKNDNRGDBLN-PMACEKPBSA-N 1 0 376.566 4.041 20 0 GIADRO CC(C)Oc1cccc(CNC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000059852069 823500691 /nfs/dbraw/zinc/50/06/91/823500691.db2.gz DYXZCGGXEBIKBF-HXUWFJFHSA-N 1 0 385.508 4.093 20 0 GIADRO c1cn(Cc2cccc(C[NH2+]Cc3ccccc3OCc3ccncc3)c2)cn1 ZINC000030901863 820706301 /nfs/dbraw/zinc/70/63/01/820706301.db2.gz XRWRPYHITPCXAA-UHFFFAOYSA-N 1 0 384.483 4.195 20 0 GIADRO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000030909039 820707459 /nfs/dbraw/zinc/70/74/59/820707459.db2.gz BFVXGFNHWLTMOF-DEOSSOPVSA-N 1 0 388.559 4.302 20 0 GIADRO Clc1cccc([C@H](C[NH2+]Cc2cnn(-c3ccccc3)c2)N2CCCC2)c1 ZINC000030911115 820707487 /nfs/dbraw/zinc/70/74/87/820707487.db2.gz VXPBBGDPGOXSKL-QFIPXVFZSA-N 1 0 380.923 4.452 20 0 GIADRO Cc1nn(C)c(Cl)c1C[NH2+]C[C@@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000030910876 820707618 /nfs/dbraw/zinc/70/76/18/820707618.db2.gz URFCGCUEKUMXNE-INIZCTEOSA-N 1 0 385.314 4.101 20 0 GIADRO Clc1cccc([C@H](C[NH2+]Cc2ccc(-n3ccnc3)cc2)N2CCCC2)c1 ZINC000030911066 820707683 /nfs/dbraw/zinc/70/76/83/820707683.db2.gz VAIMLXLHVYEKFW-QFIPXVFZSA-N 1 0 380.923 4.452 20 0 GIADRO Cc1c(C[NH2+]CC2(N3CCSCC3)CCCC2)sc2nc(C)nc(C)c12 ZINC000030914553 820708109 /nfs/dbraw/zinc/70/81/09/820708109.db2.gz OJKRGDADGUWTRL-UHFFFAOYSA-N 1 0 390.622 4.068 20 0 GIADRO CC[C@H]1CCC[N@H+](CC(=O)NCc2ccc(OCc3ccccc3)c(OC)c2)C1 ZINC000030970014 820712824 /nfs/dbraw/zinc/71/28/24/820712824.db2.gz JAUAOAFDYIIZSV-IBGZPJMESA-N 1 0 396.531 4.012 20 0 GIADRO CS(=O)(=O)Cc1ccccc1C[NH2+][C@H](c1ccccc1)c1ccc(F)cc1 ZINC000177602948 823499339 /nfs/dbraw/zinc/49/93/39/823499339.db2.gz YBQKDODQPKHAKV-JOCHJYFZSA-N 1 0 383.488 4.250 20 0 GIADRO Cc1cccc2nc(C3CC[NH+](CCC(=O)Nc4ccc(F)cc4)CC3)oc21 ZINC000189810995 823499463 /nfs/dbraw/zinc/49/94/63/823499463.db2.gz ZPZSASYXDBWDBY-UHFFFAOYSA-N 1 0 381.451 4.484 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1ncoc1-c1ccccc1Cl)C1CCCCC1 ZINC000460735139 823499601 /nfs/dbraw/zinc/49/96/01/823499601.db2.gz LHGYOJWHVSYWNS-KRWDZBQOSA-N 1 0 375.900 4.235 20 0 GIADRO Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123346536 823499802 /nfs/dbraw/zinc/49/98/02/823499802.db2.gz HHSYXBHAUBMQAV-MLGOLLRUSA-N 1 0 377.941 4.327 20 0 GIADRO C[C@H]([NH2+][C@H]1c2cccc(F)c2CC[C@@H]1C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177605445 823499923 /nfs/dbraw/zinc/49/99/23/823499923.db2.gz GMTPMXNOSMYZMD-VFCRVFHLSA-N 1 0 390.524 4.050 20 0 GIADRO CC(C)O[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000410551566 823503763 /nfs/dbraw/zinc/50/37/63/823503763.db2.gz ZYNOTDQIJJXTNM-PTUXOGIPSA-N 1 0 380.532 4.180 20 0 GIADRO C[C@@](O)(CC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1)c1ccccc1 ZINC000189835860 823503867 /nfs/dbraw/zinc/50/38/67/823503867.db2.gz PUXIOSMCXBDJNQ-RUZDIDTESA-N 1 0 398.510 4.322 20 0 GIADRO C[C@@H]([NH2+]C[C@H](O)CC(F)(F)F)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000189835288 823503947 /nfs/dbraw/zinc/50/39/47/823503947.db2.gz XTZYUVOOUSYWHQ-SJKOYZFVSA-N 1 0 384.373 4.042 20 0 GIADRO COc1cccc([C@@H](CNC(=O)c2sc3ccc(F)cc3c2C)[NH+](C)C)c1 ZINC000059965124 823504188 /nfs/dbraw/zinc/50/41/88/823504188.db2.gz CIYNMXFWEZSTJD-GOSISDBHSA-N 1 0 386.492 4.390 20 0 GIADRO Cc1nc(Cc2ccccc2)sc1C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000059990837 823504310 /nfs/dbraw/zinc/50/43/10/823504310.db2.gz GMXGYEMRMJATQO-INIZCTEOSA-N 1 0 385.577 4.283 20 0 GIADRO COc1ccc([C@H](Cc2ccccc2C)[NH2+]C[C@H](O)CC(F)(F)F)cc1OC ZINC000189837629 823504334 /nfs/dbraw/zinc/50/43/34/823504334.db2.gz GLOPDJSCEIPSMJ-MSOLQXFVSA-N 1 0 397.437 4.199 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)N[C@@H]1CCSc2c(F)cccc21 ZINC000031124735 820746903 /nfs/dbraw/zinc/74/69/03/820746903.db2.gz KWROGCGEGLAOFG-HXUWFJFHSA-N 1 0 399.535 4.458 20 0 GIADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc(NC(=O)c2cccs2)cc1 ZINC000060015937 823504755 /nfs/dbraw/zinc/50/47/55/823504755.db2.gz YSFGNKFRROHNJZ-IXDOHACOSA-N 1 0 399.560 4.097 20 0 GIADRO CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)c1c(C)nn(C)c1C ZINC000123392758 823504970 /nfs/dbraw/zinc/50/49/70/823504970.db2.gz SJZZFBMURUWAAV-FBVQUNGASA-N 1 0 376.545 4.008 20 0 GIADRO C[N@H+](CCCNC(=O)c1ccc(OCc2ccccn2)cc1)C1CCCCC1 ZINC000460756895 823505133 /nfs/dbraw/zinc/50/51/33/823505133.db2.gz JIYCCRJIMWMHIU-UHFFFAOYSA-N 1 0 381.520 4.045 20 0 GIADRO CN(Cc1ccc(Cl)s1)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000031148788 820754102 /nfs/dbraw/zinc/75/41/02/820754102.db2.gz HELVPIPJIIDBRP-UHFFFAOYSA-N 1 0 391.968 4.250 20 0 GIADRO O=C(NC1CC[NH+](Cc2cccnc2)CC1)c1sc2ccccc2c1Cl ZINC000177644227 823506277 /nfs/dbraw/zinc/50/62/77/823506277.db2.gz YGBYXWWWKYWUDV-UHFFFAOYSA-N 1 0 385.920 4.344 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2c(F)ccc(SCC3CC3)c2F)[C@H](C)C1 ZINC000410513456 823500830 /nfs/dbraw/zinc/50/08/30/823500830.db2.gz MHBQXAIPZAHMKQ-CZUORRHYSA-N 1 0 382.520 4.269 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)NCc2nc(C3CC3)cs2)CC[N@@H+]1Cc1ccccc1 ZINC000123399694 823505670 /nfs/dbraw/zinc/50/56/70/823505670.db2.gz KJSDQYOTAGYUFK-LPHOPBHVSA-N 1 0 398.576 4.215 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)NCCc1c[nH]c2ccccc12)c1ccsc1 ZINC000031194066 820765400 /nfs/dbraw/zinc/76/54/00/820765400.db2.gz ARZGRAMJFRESRA-FQEVSTJZSA-N 1 0 384.549 4.154 20 0 GIADRO CC1CC[NH+](Cc2ccc(CNC(=O)c3coc(Br)c3)cc2)CC1 ZINC000031202257 820768410 /nfs/dbraw/zinc/76/84/10/820768410.db2.gz QPDXDXSDBMNDEU-UHFFFAOYSA-N 1 0 391.309 4.204 20 0 GIADRO Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccccc3C[NH+](C)C)cc12 ZINC000031230857 820774979 /nfs/dbraw/zinc/77/49/79/820774979.db2.gz CAROUVGRKHKXFR-UHFFFAOYSA-N 1 0 385.471 4.043 20 0 GIADRO CCOc1cc(C(=O)Nc2ccccc2C[NH+](C)C)cc(OCC)c1OCC ZINC000031232887 820775795 /nfs/dbraw/zinc/77/57/95/820775795.db2.gz HRRUUJWUXAAEFS-UHFFFAOYSA-N 1 0 386.492 4.197 20 0 GIADRO c1ccc(Oc2cccnc2)c(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)c1 ZINC000177614853 823501756 /nfs/dbraw/zinc/50/17/56/823501756.db2.gz IVYBIZONFJGZIJ-JOCHJYFZSA-N 1 0 382.504 4.424 20 0 GIADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc(Cl)c3cc(Cl)ccc3n2)C1 ZINC000410594122 823505822 /nfs/dbraw/zinc/50/58/22/823505822.db2.gz SZCICPYCZWDBNL-KZULUSFZSA-N 1 0 378.303 4.098 20 0 GIADRO C[C@@H]1CCC[C@@](CNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)([NH+](C)C)C1 ZINC000059891331 823502042 /nfs/dbraw/zinc/50/20/42/823502042.db2.gz OCBNJHZKBBIHCA-HOYKHHGWSA-N 1 0 393.531 4.179 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)[C@@H]2C[C@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC000123424562 823507942 /nfs/dbraw/zinc/50/79/42/823507942.db2.gz OESRSYCMZYVYMD-RBUKOAKNSA-N 1 0 376.422 4.187 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)c2cccc(NC(=O)[C@@H]3C[C@H]3C)c2)cc1 ZINC000031584726 820828887 /nfs/dbraw/zinc/82/88/87/820828887.db2.gz DQFDPDFGBUTIDE-VGOFRKELSA-N 1 0 393.531 4.053 20 0 GIADRO C[C@@H](NC(=O)N1CCc2cc(Cl)ccc2C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000189867064 823508088 /nfs/dbraw/zinc/50/80/88/823508088.db2.gz YEXIPXJGOQYNLB-NVXWUHKLSA-N 1 0 375.944 4.061 20 0 GIADRO CC(=O)Nc1cccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)c1C ZINC000189870358 823508440 /nfs/dbraw/zinc/50/84/40/823508440.db2.gz WUUOFTVADSNCMW-HXUWFJFHSA-N 1 0 399.560 4.218 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1cncn1-c1ccc(F)cc1 ZINC000031620842 820835621 /nfs/dbraw/zinc/83/56/21/820835621.db2.gz VYCFTAYAMNPLKE-UHFFFAOYSA-N 1 0 378.451 4.250 20 0 GIADRO CC(C)[C@H](CNC(=O)c1ccc(OCc2ccncc2)cc1)[NH+]1CCC(C)CC1 ZINC000031900638 820872906 /nfs/dbraw/zinc/87/29/06/820872906.db2.gz OSAOKPPZRRHREI-QHCPKHFHSA-N 1 0 395.547 4.147 20 0 GIADRO CCCc1ncc(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)s1 ZINC000460787251 823512336 /nfs/dbraw/zinc/51/23/36/823512336.db2.gz BMQSTHJRTLYMCT-UHFFFAOYSA-N 1 0 377.941 4.143 20 0 GIADRO O=C(N[C@H](c1cccc(Cl)c1)c1ccccn1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000177667535 823510930 /nfs/dbraw/zinc/51/09/30/823510930.db2.gz BBFCSGBOSKWKII-PZJWPPBQSA-N 1 0 398.938 4.094 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)CCCc1nc2ccccc2[nH]1)c1ccsc1 ZINC000031983280 820882885 /nfs/dbraw/zinc/88/28/85/820882885.db2.gz PGTVPHUZCXSAGM-IBGZPJMESA-N 1 0 384.549 4.146 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCSc2ccccc21)Cc1ccccc1 ZINC000460783394 823511448 /nfs/dbraw/zinc/51/14/48/823511448.db2.gz DGLMPRIRXJHHFJ-PZJWPPBQSA-N 1 0 382.573 4.335 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(C2CC2)nc2onc(C)c21)c1ccsc1 ZINC000031985166 820884043 /nfs/dbraw/zinc/88/40/43/820884043.db2.gz VLTVITLVLORIFK-SFHVURJKSA-N 1 0 398.532 4.283 20 0 GIADRO Cc1cccc(CSCC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)c1 ZINC000060220753 823512638 /nfs/dbraw/zinc/51/26/38/823512638.db2.gz HJRQVXFXGULHLJ-UHFFFAOYSA-N 1 0 386.586 4.416 20 0 GIADRO CN(Cc1ccccc1Cl)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000060219886 823512651 /nfs/dbraw/zinc/51/26/51/823512651.db2.gz DNZCLNPGBYPQSS-UHFFFAOYSA-N 1 0 391.968 4.455 20 0 GIADRO C[NH+](C)C1(CNC(=O)c2ccc(OCc3ccccn3)cc2)CCCCCC1 ZINC000460788147 823512673 /nfs/dbraw/zinc/51/26/73/823512673.db2.gz BFFBYXKBDYGBBD-UHFFFAOYSA-N 1 0 381.520 4.045 20 0 GIADRO O=C(Nc1ccc(Cl)cc1-n1cccn1)NC1CC[NH+](C2CCCC2)CC1 ZINC000189912905 823513063 /nfs/dbraw/zinc/51/30/63/823513063.db2.gz CSCRHULQKAAJEC-UHFFFAOYSA-N 1 0 387.915 4.054 20 0 GIADRO Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)NCC[NH+](C(C)C)C(C)C ZINC000032244390 820904221 /nfs/dbraw/zinc/90/42/21/820904221.db2.gz CJHYBVFUZZFAAH-UHFFFAOYSA-N 1 0 390.959 4.050 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)CCn1cnc2ccccc21)c1ccccc1Cl ZINC000032314413 820913632 /nfs/dbraw/zinc/91/36/32/820913632.db2.gz VPZPCOAKGQYFJT-NRFANRHFSA-N 1 0 398.938 4.279 20 0 GIADRO FC(F)(F)C1CCC([NH2+]C[C@@H](c2cccc(Cl)c2)N2CCOCC2)CC1 ZINC000123498546 823514829 /nfs/dbraw/zinc/51/48/29/823514829.db2.gz KYQWKIITLABVID-VJFUWPCTSA-N 1 0 390.877 4.424 20 0 GIADRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1ccccc1SC(F)(F)F ZINC000032401515 820934704 /nfs/dbraw/zinc/93/47/04/820934704.db2.gz IYEBBMOVOCVZIK-UHFFFAOYSA-N 1 0 394.462 4.477 20 0 GIADRO COc1cc(C2(C(=O)NC[C@H]3CCCC[N@@H+]3Cc3ccccc3)CC2)ccc1C ZINC000060322890 823515629 /nfs/dbraw/zinc/51/56/29/823515629.db2.gz ZGMUWVWLAJYHCQ-JOCHJYFZSA-N 1 0 392.543 4.206 20 0 GIADRO Cc1nc(C(C)(C)[NH2+]CCC(=O)Nc2ccc(Br)cc2)sc1C ZINC000411392863 823569394 /nfs/dbraw/zinc/56/93/94/823569394.db2.gz VMSCQJRFLIAHNB-UHFFFAOYSA-N 1 0 396.354 4.376 20 0 GIADRO Cc1nc([C@H]2CCCN2Cc2ccccc2N(C)C2CC[NH+](C)CC2)cs1 ZINC000189940348 823516085 /nfs/dbraw/zinc/51/60/85/823516085.db2.gz ZNCBDOKXYGINJO-JOCHJYFZSA-N 1 0 384.593 4.319 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1ccc(Br)s1 ZINC000032462506 820950022 /nfs/dbraw/zinc/95/00/22/820950022.db2.gz JULRZTKQLCYOTC-UHFFFAOYSA-N 1 0 379.323 4.036 20 0 GIADRO Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000032462550 820950030 /nfs/dbraw/zinc/95/00/30/820950030.db2.gz IXRDMFHMGMJGJU-KRWDZBQOSA-N 1 0 386.923 4.328 20 0 GIADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc(-c3ccc(C)cc3)o2)cc1 ZINC000123517241 823516642 /nfs/dbraw/zinc/51/66/42/823516642.db2.gz HPQREAJNAAPZNN-INIZCTEOSA-N 1 0 384.501 4.014 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1ccc(OCC(F)(F)F)cc1 ZINC000032464692 820950500 /nfs/dbraw/zinc/95/05/00/820950500.db2.gz OHPSBXNQWDEHCG-UHFFFAOYSA-N 1 0 392.421 4.154 20 0 GIADRO Cc1nc(C)c(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)s1 ZINC000123520978 823516829 /nfs/dbraw/zinc/51/68/29/823516829.db2.gz CMOVDBXNZHKXCN-UHFFFAOYSA-N 1 0 375.501 4.297 20 0 GIADRO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000032480480 820956288 /nfs/dbraw/zinc/95/62/88/820956288.db2.gz KTRZSDRILZKUKO-XJKSGUPXSA-N 1 0 381.303 4.180 20 0 GIADRO CC[NH+](CC)C[C@H]1CCN(C(=O)C2(Cc3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC000189951975 823517237 /nfs/dbraw/zinc/51/72/37/823517237.db2.gz KHWHZFSLBFBJSL-QGZVFWFLSA-N 1 0 398.469 4.098 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C2(Cc3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC000189953590 823517492 /nfs/dbraw/zinc/51/74/92/823517492.db2.gz URFSYHBKYUZUDB-QGZVFWFLSA-N 1 0 398.469 4.098 20 0 GIADRO CCCc1cccc(C(C)C)c1NC(=O)NC[C@H](C)C[NH+]1CCN(CC)CC1 ZINC000189963905 823518536 /nfs/dbraw/zinc/51/85/36/823518536.db2.gz GHKRTQJJLFKADX-IBGZPJMESA-N 1 0 388.600 4.158 20 0 GIADRO OCC[C@H]1CCC[C@@H]1[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000189964075 823518542 /nfs/dbraw/zinc/51/85/42/823518542.db2.gz JYYXTPUOOJDFGC-OFNKIYASSA-N 1 0 375.516 4.239 20 0 GIADRO OCC[C@@H]1CCC[C@H]1[NH2+]Cc1csc(-c2cccc(Br)c2)n1 ZINC000189963811 823518593 /nfs/dbraw/zinc/51/85/93/823518593.db2.gz JROLIAVAVXFGPH-BLLLJJGKSA-N 1 0 381.339 4.213 20 0 GIADRO OCC[C@@H]1CCC[C@@H]1[NH2+]Cc1csc(-c2cccc(Br)c2)n1 ZINC000189963829 823518626 /nfs/dbraw/zinc/51/86/26/823518626.db2.gz JROLIAVAVXFGPH-LRDDRELGSA-N 1 0 381.339 4.213 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)CC3 ZINC000123535390 823518691 /nfs/dbraw/zinc/51/86/91/823518691.db2.gz GSBTZAYCZBVSFL-JRVVOHRXSA-N 1 0 398.453 4.432 20 0 GIADRO CSc1ccc(C)c(C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)c1 ZINC000060355372 823519057 /nfs/dbraw/zinc/51/90/57/823519057.db2.gz ADIULJZVBCJTQX-UHFFFAOYSA-N 1 0 382.573 4.498 20 0 GIADRO C[C@@H](C(=O)NCc1ccccc1F)[N@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000060356441 823519203 /nfs/dbraw/zinc/51/92/03/823519203.db2.gz RSDDXIGHZKUBQD-KRWDZBQOSA-N 1 0 395.478 4.050 20 0 GIADRO Cc1ccccc1-c1cc(NC(=O)C[N@@H+](C)C(C)C)n(Cc2ccccc2)n1 ZINC000060358789 823519481 /nfs/dbraw/zinc/51/94/81/823519481.db2.gz FWLLNMHQYJVZIP-UHFFFAOYSA-N 1 0 376.504 4.186 20 0 GIADRO Cc1nc([C@@H]2CCCN2C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cs1 ZINC000189974508 823519896 /nfs/dbraw/zinc/51/98/96/823519896.db2.gz ZRCGQGOBXWYZDT-IRXDYDNUSA-N 1 0 390.578 4.197 20 0 GIADRO C[NH+](C)C1(CNC(=O)Cc2csc(Cc3ccccc3)n2)CCCCCC1 ZINC000032704144 820995006 /nfs/dbraw/zinc/99/50/06/820995006.db2.gz IMEKXFOXXXXFIX-UHFFFAOYSA-N 1 0 385.577 4.047 20 0 GIADRO COc1cc(C[N@@H+]2CCCN(C(=O)C(C)C)CC2)c(-c2ccccc2)cc1OC ZINC000123548538 823520102 /nfs/dbraw/zinc/52/01/02/823520102.db2.gz DHYOMKVCKVSKAO-UHFFFAOYSA-N 1 0 396.531 4.061 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)/C=C/c1ccc2ccc(Cl)cc2n1)c1cccc(F)c1 ZINC000032731289 820998723 /nfs/dbraw/zinc/99/87/23/820998723.db2.gz RUZNVDCQUYXWCD-ZJVMWOEPSA-N 1 0 397.881 4.460 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)C(c1ccccc1)c1ccccc1)c1cccc(F)c1 ZINC000032732540 820999726 /nfs/dbraw/zinc/99/97/26/820999726.db2.gz JUUNDHKBCLDRGT-QFIPXVFZSA-N 1 0 376.475 4.377 20 0 GIADRO C[C@H]1C[NH+](CC2CCN(C(=O)Nc3cccc4ccccc43)CC2)C[C@H](C)O1 ZINC000060368176 823520476 /nfs/dbraw/zinc/52/04/76/823520476.db2.gz SQYKVMQXISADKK-ROUUACIJSA-N 1 0 381.520 4.193 20 0 GIADRO CCc1ccc([C@@H](CNC(=O)c2cc(F)ccc2Br)[NH+](C)C)cc1 ZINC000032733621 821000153 /nfs/dbraw/zinc/00/01/53/821000153.db2.gz GATNBHMXAOOGPK-GOSISDBHSA-N 1 0 393.300 4.183 20 0 GIADRO CCc1ccc([C@H](CNC(=O)Cc2nc(-c3cccs3)oc2C)[NH+](C)C)cc1 ZINC000032734641 821000415 /nfs/dbraw/zinc/00/04/15/821000415.db2.gz BUNAFYRWNAXRGR-IBGZPJMESA-N 1 0 397.544 4.236 20 0 GIADRO CCOc1ccc(C(=O)NC[C@@H](c2ccc(CC)cc2)[NH+](C)C)cc1OCC ZINC000032735468 821000878 /nfs/dbraw/zinc/00/08/78/821000878.db2.gz ZYAPCOPUTDMRFN-FQEVSTJZSA-N 1 0 384.520 4.079 20 0 GIADRO FC(F)(F)c1cccc(-c2ccc(C[NH+]3CCC(Cn4cncn4)CC3)o2)c1 ZINC000189978466 823520544 /nfs/dbraw/zinc/52/05/44/823520544.db2.gz JOPVBELOXOPXAR-UHFFFAOYSA-N 1 0 390.409 4.469 20 0 GIADRO COCCOc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)cc1 ZINC000177752476 823520811 /nfs/dbraw/zinc/52/08/11/823520811.db2.gz LKKXYIUSDJINSN-IAGOWNOFSA-N 1 0 384.476 4.080 20 0 GIADRO C[C@@H](Oc1cccc(Cl)c1)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000032761559 821004318 /nfs/dbraw/zinc/00/43/18/821004318.db2.gz ZJCWOOCSQVTJMY-PBHICJAKSA-N 1 0 378.925 4.122 20 0 GIADRO COc1ccc([C@@H]2CCC[N@@H+]2C[C@@H](O)CO[C@@H]2CCCc3ccccc32)cc1 ZINC000032768883 821006245 /nfs/dbraw/zinc/00/62/45/821006245.db2.gz INVFGCVQLGNOAA-FGCOXFRFSA-N 1 0 381.516 4.287 20 0 GIADRO CCOc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(OC)c(OC(F)F)c1)CCO2 ZINC000177762630 823522087 /nfs/dbraw/zinc/52/20/87/823522087.db2.gz PUZUXEOELDDHFQ-MRXNPFEDSA-N 1 0 379.403 4.309 20 0 GIADRO Cc1c([C@H](C)[NH2+]CC(=O)NC(C)(C)C)cnn1-c1ccc(Cl)cc1Cl ZINC000177764461 823522575 /nfs/dbraw/zinc/52/25/75/823522575.db2.gz UICRNUIDVYRRDY-NSHDSACASA-N 1 0 383.323 4.053 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)[C@@H](C)Sc2ccc(OC)cc2)CC1 ZINC000123570101 823522644 /nfs/dbraw/zinc/52/26/44/823522644.db2.gz FATQPIZUILHVHR-QGZVFWFLSA-N 1 0 378.582 4.146 20 0 GIADRO CC(C)c1cc(C(=O)NCc2cccc(C[NH+](C)C)c2)c2cnn(C(C)C)c2n1 ZINC000033084945 821031924 /nfs/dbraw/zinc/03/19/24/821031924.db2.gz NAFNGNVKMOQWCT-UHFFFAOYSA-N 1 0 393.535 4.127 20 0 GIADRO COc1ccc(-n2c(C)cc(C(=O)NCc3cccc(C[NH+](C)C)c3)c2C)cc1 ZINC000033085278 821032090 /nfs/dbraw/zinc/03/20/90/821032090.db2.gz CDIOAAMNTLMCBU-UHFFFAOYSA-N 1 0 391.515 4.094 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)c2csc(-c3cccc(Cl)c3)n2)CC1 ZINC000060404398 823524056 /nfs/dbraw/zinc/52/40/56/823524056.db2.gz DEAOJMUGTQTGGZ-UHFFFAOYSA-N 1 0 377.941 4.410 20 0 GIADRO COc1ccc(-c2nc(C(=O)N3CCC(C[N@H+](C)C(C)C)CC3)cs2)cc1 ZINC000060394624 823523347 /nfs/dbraw/zinc/52/33/47/823523347.db2.gz JXELGJWNSHYLQI-UHFFFAOYSA-N 1 0 387.549 4.011 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2ccco2)nc2ccccc21 ZINC000177800522 823527421 /nfs/dbraw/zinc/52/74/21/823527421.db2.gz TZJGQFQLAOENHU-SJORKVTESA-N 1 0 375.472 4.194 20 0 GIADRO C[C@@H]([NH2+]CCCS(=O)(=O)c1ccccc1)c1ccc(-c2ccncc2)cc1 ZINC000177811414 823528852 /nfs/dbraw/zinc/52/88/52/823528852.db2.gz KCFFMHJCXMPNAG-GOSISDBHSA-N 1 0 380.513 4.263 20 0 GIADRO O=C(Cc1csc(-c2ccccc2)n1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000036063094 821068105 /nfs/dbraw/zinc/06/81/05/821068105.db2.gz PACIMJXAJBHXGN-NRFANRHFSA-N 1 0 391.540 4.306 20 0 GIADRO C[C@H]1[C@H](C(=O)NCc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)C1(F)F ZINC000460853309 823528963 /nfs/dbraw/zinc/52/89/63/823528963.db2.gz GXCUNZNTVATYIS-HRAATJIYSA-N 1 0 384.470 4.467 20 0 GIADRO CCOc1ccc(OCCCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000036310095 821070991 /nfs/dbraw/zinc/07/09/91/821070991.db2.gz AFJPAVOYOIAEIN-UHFFFAOYSA-N 1 0 396.531 4.025 20 0 GIADRO COc1cc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)ccc1OC(C)C ZINC000036684893 821075959 /nfs/dbraw/zinc/07/59/59/821075959.db2.gz QQTUUVXQQOHTEB-QGZVFWFLSA-N 1 0 388.533 4.111 20 0 GIADRO CC(C)c1noc2ncc(C(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)cc21 ZINC000036799962 821084271 /nfs/dbraw/zinc/08/42/71/821084271.db2.gz POMWRQATTBXKCT-UHFFFAOYSA-N 1 0 392.503 4.262 20 0 GIADRO COc1ccc(C[NH2+]CC2(c3cccc(C(F)(F)F)c3)CCOCC2)cc1O ZINC000123600569 823524887 /nfs/dbraw/zinc/52/48/87/823524887.db2.gz DPXYYFFAHBAQNC-UHFFFAOYSA-N 1 0 395.421 4.258 20 0 GIADRO O=C(CSc1nc2ccccc2s1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000036883705 821089333 /nfs/dbraw/zinc/08/93/33/821089333.db2.gz BGURZNMCNWEMRY-GOSISDBHSA-N 1 0 397.569 4.342 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)c1ccccc1C(F)(F)F)c1cccc(N2CCCC2=O)c1 ZINC000177779608 823525219 /nfs/dbraw/zinc/52/52/19/823525219.db2.gz LZJXXWRHZSVOBC-AUUYWEPGSA-N 1 0 392.421 4.216 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2cc(Br)c[nH]2)cc1 ZINC000060425997 823525995 /nfs/dbraw/zinc/52/59/95/823525995.db2.gz MIKYEQKAXMEVDV-CQSZACIVSA-N 1 0 390.325 4.082 20 0 GIADRO Cc1nc([C@H]2CCCN2C(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)cs1 ZINC000190017044 823526320 /nfs/dbraw/zinc/52/63/20/823526320.db2.gz QIXKYTKZFAGKST-YLJYHZDGSA-N 1 0 387.524 4.166 20 0 GIADRO CC1CC[NH+](C2CCC(NC(=O)Nc3ccc(-c4cc[nH]n4)cc3)CC2)CC1 ZINC000123618689 823526400 /nfs/dbraw/zinc/52/64/00/823526400.db2.gz OQLXNIKBLFQFCO-UHFFFAOYSA-N 1 0 381.524 4.241 20 0 GIADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2cccc(C(F)(F)F)n2)C1 ZINC000123625949 823527024 /nfs/dbraw/zinc/52/70/24/823527024.db2.gz FXVNPADSCMPEPP-GJZGRUSLSA-N 1 0 384.446 4.219 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000177794704 823527087 /nfs/dbraw/zinc/52/70/87/823527087.db2.gz UUKRVHZVOYALBH-CVEARBPZSA-N 1 0 375.925 4.162 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)Nc2cccc(C(F)(F)F)n2)CC1 ZINC000123670272 823530393 /nfs/dbraw/zinc/53/03/93/823530393.db2.gz DAHLJIUVZCJXNB-UHFFFAOYSA-N 1 0 386.462 4.466 20 0 GIADRO CC(C)[N@H+](C)CCCNC(=O)c1cc(C2CC2)nc2onc(CC(C)(C)C)c21 ZINC000060501968 823535333 /nfs/dbraw/zinc/53/53/33/823535333.db2.gz HLFFJYRBCRSTPC-UHFFFAOYSA-N 1 0 386.540 4.149 20 0 GIADRO Cc1nc([C@H]2CCCN2C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cs1 ZINC000190056520 823531245 /nfs/dbraw/zinc/53/12/45/823531245.db2.gz MALOGKVWCIMRMU-HXUWFJFHSA-N 1 0 384.549 4.094 20 0 GIADRO O=C(Nc1ccccc1)C1CC[NH+](C[C@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000060465588 823531323 /nfs/dbraw/zinc/53/13/23/823531323.db2.gz ZAIUODLEEPXAMO-IBGZPJMESA-N 1 0 392.421 4.090 20 0 GIADRO O[C@@H](CN1CCC[N@H+](Cc2ccc(F)cc2)CC1)c1ccccc1C(F)(F)F ZINC000060466763 823531512 /nfs/dbraw/zinc/53/15/12/823531512.db2.gz MWVXWRBFCOHBCF-FQEVSTJZSA-N 1 0 396.428 4.086 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)cc1 ZINC000123687814 823531631 /nfs/dbraw/zinc/53/16/31/823531631.db2.gz NSHIUKSKRITZEZ-MSOLQXFVSA-N 1 0 376.422 4.187 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)N1CC2(CCC2)[C@H]1C1CC1)c1cccc(C(F)(F)F)c1 ZINC000460882934 823535525 /nfs/dbraw/zinc/53/55/25/823535525.db2.gz NHGVHKJWHPRJOL-QZTJIDSGSA-N 1 0 395.469 4.282 20 0 GIADRO Cc1ccc([C@H](CNC(=O)c2cccc(Br)c2)[NH+]2CCCC2)cc1 ZINC000040615428 821162442 /nfs/dbraw/zinc/16/24/42/821162442.db2.gz QJVDCHPMQZXNER-IBGZPJMESA-N 1 0 387.321 4.324 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)[C@H](C)Cc1ccccc1F)[NH+]1CCCCC1 ZINC000040654330 821163343 /nfs/dbraw/zinc/16/33/43/821163343.db2.gz FVLAUYDGTHDBDU-XMSQKQJNSA-N 1 0 398.522 4.356 20 0 GIADRO COc1ccc(CCCCC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000040653905 821163400 /nfs/dbraw/zinc/16/34/00/821163400.db2.gz KTVAONPIQQKJPK-QHCPKHFHSA-N 1 0 380.532 4.361 20 0 GIADRO Cc1ccc([C@H](CNC(=O)CCc2ncc(-c3ccccc3)o2)[NH+](C)C)cc1 ZINC000041020067 821167344 /nfs/dbraw/zinc/16/73/44/821167344.db2.gz CPLIHVHMJMPWSU-FQEVSTJZSA-N 1 0 377.488 4.002 20 0 GIADRO COc1ccc(-c2nc3c(s2)[C@@H]([NH2+]Cc2cccc(CO)c2)CCC3)cc1 ZINC000177841440 823534759 /nfs/dbraw/zinc/53/47/59/823534759.db2.gz CDIOAPUGLIWCCD-IBGZPJMESA-N 1 0 380.513 4.478 20 0 GIADRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000177842399 823534999 /nfs/dbraw/zinc/53/49/99/823534999.db2.gz WQBVSARJLBALBX-SMDDNHRTSA-N 1 0 379.888 4.418 20 0 GIADRO O=C(c1ccccc1Cl)N1CCC([NH2+]CCOc2ccc(Cl)cc2)CC1 ZINC000177849078 823535956 /nfs/dbraw/zinc/53/59/56/823535956.db2.gz XWNNBYIZPXIUOE-UHFFFAOYSA-N 1 0 393.314 4.267 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)NCc2ccc(OCc3cccc(C)c3)cc2)C1 ZINC000177849474 823536108 /nfs/dbraw/zinc/53/61/08/823536108.db2.gz VDCOWBFVJWXRMN-JOCHJYFZSA-N 1 0 395.547 4.057 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccccc2NCCc2ccc(Cl)cc2)C1 ZINC000123743815 823536542 /nfs/dbraw/zinc/53/65/42/823536542.db2.gz NFRCEXIQMBFXFS-IBGZPJMESA-N 1 0 399.966 4.408 20 0 GIADRO COc1cc(OC)c(OC)cc1CN(Cc1ccn(C(C)C)n1)C(C)(C)C ZINC000177852579 823536574 /nfs/dbraw/zinc/53/65/74/823536574.db2.gz DPWKZMOKKWQHKH-UHFFFAOYSA-N 1 0 375.513 4.291 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)c2cc(Br)ccc2C)[NH+]2CCCC2)o1 ZINC000460890581 823536595 /nfs/dbraw/zinc/53/65/95/823536595.db2.gz BVYMAGICBZVFCA-QGZVFWFLSA-N 1 0 391.309 4.226 20 0 GIADRO C[C@H](Cn1cccn1)[NH2+][C@H](C)c1ccc(Br)cc1Br ZINC000041650533 821216098 /nfs/dbraw/zinc/21/60/98/821216098.db2.gz KECMDRPAXCCQCN-GHMZBOCLSA-N 1 0 387.119 4.147 20 0 GIADRO CC(C)=CCSc1ccccc1C(=O)NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000123748945 823536969 /nfs/dbraw/zinc/53/69/69/823536969.db2.gz KVWBDKVTPKXKNL-RTBURBONSA-N 1 0 390.593 4.364 20 0 GIADRO COc1ccc(OCc2ccccn2)c(C[NH2+]C[C@H](O)c2ccccc2Cl)c1 ZINC000123787541 823540953 /nfs/dbraw/zinc/54/09/53/823540953.db2.gz BXAMSLRTYMHKKX-NRFANRHFSA-N 1 0 398.890 4.146 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(OCc3ccccc3)cc2)[C@H](C)C1 ZINC000177860724 823537737 /nfs/dbraw/zinc/53/77/37/823537737.db2.gz GINOVRINSQCYQN-XMSQKQJNSA-N 1 0 381.520 4.460 20 0 GIADRO Cc1cc(CSc2ccccc2C(=O)NCCC[NH+]2CCCCCC2)on1 ZINC000041799965 821231506 /nfs/dbraw/zinc/23/15/06/821231506.db2.gz JRASGSRSVCSLJV-UHFFFAOYSA-N 1 0 387.549 4.271 20 0 GIADRO Cc1c(Br)cccc1CC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000190108399 823538060 /nfs/dbraw/zinc/53/80/60/823538060.db2.gz XBHHYQJOCVOGNG-NVXWUHKLSA-N 1 0 393.369 4.069 20 0 GIADRO CCc1cc2c(C[NH+]3CCC([C@H](O)c4ccccc4)CC3)cc(=O)oc2cc1O ZINC000041840667 821235999 /nfs/dbraw/zinc/23/59/99/821235999.db2.gz UBMMNSAWDWBVMB-XMMPIXPASA-N 1 0 393.483 4.007 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)o1 ZINC000041868323 821240179 /nfs/dbraw/zinc/24/01/79/821240179.db2.gz TYBKJVRRSWTZIN-UHFFFAOYSA-N 1 0 381.432 4.219 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)CCCNC(=O)C(C)(C)C)C1CCCCC1 ZINC000041868246 821240224 /nfs/dbraw/zinc/24/02/24/821240224.db2.gz DWOHZNCWBAIBCS-UHFFFAOYSA-N 1 0 387.568 4.332 20 0 GIADRO Cn1cc(CC[NH2+]Cc2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)cn1 ZINC000060526807 823538478 /nfs/dbraw/zinc/53/84/78/823538478.db2.gz WSFMMDGYYVYLIP-UHFFFAOYSA-N 1 0 397.482 4.351 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(OCc2ccccn2)cc1)c1ccco1 ZINC000460913446 823541163 /nfs/dbraw/zinc/54/11/63/823541163.db2.gz YNTNQXORQMLMQL-NRFANRHFSA-N 1 0 393.487 4.067 20 0 GIADRO CC[C@@H]([NH2+]CCC(=O)Nc1cccc(Br)c1)c1c(C)noc1C ZINC000411519930 823583834 /nfs/dbraw/zinc/58/38/34/823583834.db2.gz UJMRGYAVAWKNSO-OAHLLOKOSA-N 1 0 380.286 4.123 20 0 GIADRO Cc1ccc(C(=O)CCC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cc1C ZINC000042127364 821270768 /nfs/dbraw/zinc/27/07/68/821270768.db2.gz BDGWJVXJLIUQEB-UHFFFAOYSA-N 1 0 392.543 4.356 20 0 GIADRO CCOc1ccc(C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cc1OCC ZINC000042127379 821270834 /nfs/dbraw/zinc/27/08/34/821270834.db2.gz OQMUOGVRNYJHAN-UHFFFAOYSA-N 1 0 396.531 4.187 20 0 GIADRO CN(C)c1ccc(N2CCC([NH2+]Cc3nc4cc(Cl)ccc4n3C)CC2)cc1 ZINC000123783234 823540492 /nfs/dbraw/zinc/54/04/92/823540492.db2.gz SLACGBUDASUMER-UHFFFAOYSA-N 1 0 397.954 4.051 20 0 GIADRO CC(C)(C)NC(=O)c1ccc(NC(=O)c2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000060552372 823541507 /nfs/dbraw/zinc/54/15/07/823541507.db2.gz FAEVBCSUVQAWOJ-UHFFFAOYSA-N 1 0 379.504 4.063 20 0 GIADRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1sc(-c2ccc(F)cc2)nc1C ZINC000042537242 821309800 /nfs/dbraw/zinc/30/98/00/821309800.db2.gz RWCDHURGHOLGKC-AWEZNQCLSA-N 1 0 377.529 4.498 20 0 GIADRO C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000042633640 821316739 /nfs/dbraw/zinc/31/67/39/821316739.db2.gz XHDWREMYDSBMDA-OXJNMPFZSA-N 1 0 384.545 4.385 20 0 GIADRO CCc1ccc([C@@H](CNC(=O)c2oc3ccccc3c2COC)[NH+](C)C)cc1 ZINC000042674294 821323863 /nfs/dbraw/zinc/32/38/63/821323863.db2.gz QZCNZTRHEOWQIO-HXUWFJFHSA-N 1 0 380.488 4.174 20 0 GIADRO CC1(C)CC(NC(=O)N2CCC(c3nc4ccccc4o3)CC2)CC(C)(C)[NH2+]1 ZINC000042910344 821344095 /nfs/dbraw/zinc/34/40/95/821344095.db2.gz HHCOVFJZLXLEQV-UHFFFAOYSA-N 1 0 384.524 4.026 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(C(C)=O)cc1)c1cccc(OC)c1 ZINC000042758494 821331218 /nfs/dbraw/zinc/33/12/18/821331218.db2.gz RQSXDQYOZNESAI-OAQYLSRUSA-N 1 0 383.492 4.102 20 0 GIADRO COc1ccc(C[NH2+][C@H](C)Cc2ccc(Br)cc2)c(OC)c1OC ZINC000042791397 821333018 /nfs/dbraw/zinc/33/30/18/821333018.db2.gz KVJRVFVIPZNASD-CYBMUJFWSA-N 1 0 394.309 4.196 20 0 GIADRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N(Cc1ccco1)Cc1ccco1 ZINC000042815078 821335267 /nfs/dbraw/zinc/33/52/67/821335267.db2.gz LCQVHWHNBDQCED-JOCHJYFZSA-N 1 0 393.487 4.422 20 0 GIADRO O=C(CCCc1nc(-c2cccs2)no1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000043010699 821354312 /nfs/dbraw/zinc/35/43/12/821354312.db2.gz OQPVCFLAGSSQMK-UHFFFAOYSA-N 1 0 396.516 4.355 20 0 GIADRO C[C@@H](Oc1ccc(F)cc1Br)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000043039823 821356079 /nfs/dbraw/zinc/35/60/79/821356079.db2.gz BXGGZDLEOJWCMQ-GFCCVEGCSA-N 1 0 395.272 4.056 20 0 GIADRO COCc1c(C(=O)N(C)C2CC[NH+](C(C)C)CC2)sc2cccc(F)c21 ZINC000043113945 821363111 /nfs/dbraw/zinc/36/31/11/821363111.db2.gz SHUYDVIKRGJTAL-UHFFFAOYSA-N 1 0 378.513 4.132 20 0 GIADRO COc1ccc([C@H]2CCCN2C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000043137271 821366666 /nfs/dbraw/zinc/36/66/66/821366666.db2.gz KYRZXZFGOPOGRT-NHCUHLMSSA-N 1 0 397.519 4.362 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)N(Cc1ccco1)Cc1ccco1 ZINC000043137272 821366776 /nfs/dbraw/zinc/36/67/76/821366776.db2.gz LFPVKCNBXKTQSP-FQEVSTJZSA-N 1 0 397.475 4.405 20 0 GIADRO CN(Cc1ccccc1C(F)(F)F)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000043145145 821368129 /nfs/dbraw/zinc/36/81/29/821368129.db2.gz GPULGLKQEBLBFZ-HNNXBMFYSA-N 1 0 385.455 4.211 20 0 GIADRO Cc1ccc(Br)cc1NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000043166995 821371911 /nfs/dbraw/zinc/37/19/11/821371911.db2.gz YNVXWNIDJJUWLD-INIZCTEOSA-N 1 0 392.297 4.309 20 0 GIADRO CCC(CC)n1nc(C(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)cc1C ZINC000180624563 821373033 /nfs/dbraw/zinc/37/30/33/821373033.db2.gz GGRJWFUBQGNOOT-SFHVURJKSA-N 1 0 382.552 4.289 20 0 GIADRO C[NH+]1CCC(NC(=O)N[C@H](c2cccs2)c2ccc3c(c2)CCCC3)CC1 ZINC000043180372 821374901 /nfs/dbraw/zinc/37/49/01/821374901.db2.gz IVZWZWWPNMUHOM-NRFANRHFSA-N 1 0 383.561 4.110 20 0 GIADRO COC(=O)c1oc([C@@H](C)[NH+]2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)cc1C ZINC000180631069 821375373 /nfs/dbraw/zinc/37/53/73/821375373.db2.gz GXVUJJCOXOLOCG-LSDHHAIUSA-N 1 0 394.512 4.061 20 0 GIADRO CCc1cccc(CC)c1NC(=O)[C@@H](C)N1CCC[C@H](c2nncn2C(C)C)C1 ZINC000180632175 821375761 /nfs/dbraw/zinc/37/57/61/821375761.db2.gz JLKCRGJILVWELO-XLIONFOSSA-N 1 0 397.567 4.190 20 0 GIADRO O=C(NCc1cc(-c2ccccc2)no1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000043231306 821377489 /nfs/dbraw/zinc/37/74/89/821377489.db2.gz NWSKOSDZKKMFHT-IBGZPJMESA-N 1 0 396.516 4.039 20 0 GIADRO O[C@@H](C[C@@H]1CCC[N@@H+]1Cc1ccc(Oc2cnccn2)cc1)c1ccc(F)cc1 ZINC000180638441 821377910 /nfs/dbraw/zinc/37/79/10/821377910.db2.gz BNVCURFXAZVELV-UNMCSNQZSA-N 1 0 393.462 4.496 20 0 GIADRO CCC(CC)n1nc(C)cc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180641339 821378820 /nfs/dbraw/zinc/37/88/20/821378820.db2.gz DSFCHAKFDRVIFO-XDNSSPFJSA-N 1 0 394.563 4.478 20 0 GIADRO COc1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H]([C@@H](O)c3nccn3C)C2)cc1 ZINC000180652364 821383126 /nfs/dbraw/zinc/38/31/26/821383126.db2.gz XLGGTNSVHCYFEO-NFBKMPQASA-N 1 0 391.515 4.041 20 0 GIADRO CC1CC[NH+](Cc2ccc(NC(=O)[C@H]3CC(=O)Nc4cc(F)ccc43)cc2)CC1 ZINC000043268099 821383586 /nfs/dbraw/zinc/38/35/86/821383586.db2.gz ZNKULXVEYGDYMB-FQEVSTJZSA-N 1 0 395.478 4.122 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)Cc2coc3cc(OC)ccc23)c1 ZINC000043274227 821385113 /nfs/dbraw/zinc/38/51/13/821385113.db2.gz FXLZCVQCPBYQNY-UHFFFAOYSA-N 1 0 380.488 4.142 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)Nc1ccccc1SC(F)F ZINC000180658723 821385531 /nfs/dbraw/zinc/38/55/31/821385531.db2.gz VQJPUVZYGIHNHP-UHFFFAOYSA-N 1 0 392.475 4.434 20 0 GIADRO CCN(Cc1ccccc1)C(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000043306904 821389227 /nfs/dbraw/zinc/38/92/27/821389227.db2.gz OWDMZUGUUUOGBE-JOCHJYFZSA-N 1 0 381.520 4.064 20 0 GIADRO COc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccccc3SC)CC2)cc1 ZINC000043318821 821391918 /nfs/dbraw/zinc/39/19/18/821391918.db2.gz XPLUKSUIVUPUST-UHFFFAOYSA-N 1 0 385.533 4.157 20 0 GIADRO COc1ccc(NC(=O)NCc2ccccc2C[NH+]2CCCCC2)c(OC)c1 ZINC000043330842 821393412 /nfs/dbraw/zinc/39/34/12/821393412.db2.gz OAZTZORIDCMSFX-UHFFFAOYSA-N 1 0 383.492 4.011 20 0 GIADRO CCOc1ccccc1NC(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000043333122 821394106 /nfs/dbraw/zinc/39/41/06/821394106.db2.gz KZRZBFBQSDRJMZ-LJQANCHMSA-N 1 0 383.492 4.053 20 0 GIADRO COc1ccc(NC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1Cl ZINC000043332264 821394403 /nfs/dbraw/zinc/39/44/03/821394403.db2.gz PTSLOXIJTSDPQN-OAHLLOKOSA-N 1 0 379.913 4.369 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1)c1ccc(-n2ccnc2)cc1 ZINC000180690218 821396768 /nfs/dbraw/zinc/39/67/68/821396768.db2.gz YRKILQSZXVQXJH-LIRRHRJNSA-N 1 0 375.394 4.275 20 0 GIADRO O=c1cc(C[NH+]2CCC(c3ccc(C(F)(F)F)cc3)CC2)nc2ccccn12 ZINC000180696871 821399955 /nfs/dbraw/zinc/39/99/55/821399955.db2.gz ATGIQHIXPKWIRF-UHFFFAOYSA-N 1 0 387.405 4.093 20 0 GIADRO Cc1cc(C)n(CCCNC(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)n1 ZINC000043391323 821401170 /nfs/dbraw/zinc/40/11/70/821401170.db2.gz AJZYLNLCCQGJLF-UHFFFAOYSA-N 1 0 397.567 4.476 20 0 GIADRO Cc1cc(F)ccc1NC(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000043421076 821406242 /nfs/dbraw/zinc/40/62/42/821406242.db2.gz MXVUJNIDIYOFJX-IRXDYDNUSA-N 1 0 385.483 4.065 20 0 GIADRO C[C@@H]([NH2+]CCc1nc(-c2ccc(Cl)cc2)no1)c1ccc2c(c1)OCCCO2 ZINC000180706325 821407154 /nfs/dbraw/zinc/40/71/54/821407154.db2.gz QQTXGQIEBHBVCM-CQSZACIVSA-N 1 0 399.878 4.445 20 0 GIADRO O=C(Nc1cc(Cl)ccc1N1CCCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000043441320 821407508 /nfs/dbraw/zinc/40/75/08/821407508.db2.gz VJTKHXFHEKBDET-UHFFFAOYSA-N 1 0 376.932 4.079 20 0 GIADRO COc1ccc(OC)c([C@H](C)[NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000180707660 821408219 /nfs/dbraw/zinc/40/82/19/821408219.db2.gz BYZOCERHWNWEBS-ZDUSSCGKSA-N 1 0 387.867 4.301 20 0 GIADRO O=C(NCC(c1ccccc1)c1ccccc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000043475924 821412266 /nfs/dbraw/zinc/41/22/66/821412266.db2.gz AMJFKPRFPQIGLS-UHFFFAOYSA-N 1 0 391.559 4.478 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@H]2CCOc3ccc(F)cc32)cc1Cn1cccn1 ZINC000180715868 821414205 /nfs/dbraw/zinc/41/42/05/821414205.db2.gz WVKOZXJNPHEMOO-YWZLYKJASA-N 1 0 381.451 4.254 20 0 GIADRO COc1cccc(CC(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)c1 ZINC000043506057 821420099 /nfs/dbraw/zinc/42/00/99/821420099.db2.gz HZCVZENHGGIDGY-UHFFFAOYSA-N 1 0 388.511 4.283 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)N(C)Cc3sccc3C)c(C)c2)CC1 ZINC000043521902 821421898 /nfs/dbraw/zinc/42/18/98/821421898.db2.gz DOLWYRCKVJUFHF-UHFFFAOYSA-N 1 0 386.565 4.171 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)c1cccs1 ZINC000043549679 821425763 /nfs/dbraw/zinc/42/57/63/821425763.db2.gz JWVWHRHQGIQKKH-OAHLLOKOSA-N 1 0 387.505 4.214 20 0 GIADRO C[C@H]([NH2+]CC1(N2CCCCC2)CCOCC1)c1ccc(OC(F)(F)F)cc1 ZINC000180737622 821425831 /nfs/dbraw/zinc/42/58/31/821425831.db2.gz UEYREWTURZJHFV-INIZCTEOSA-N 1 0 386.458 4.271 20 0 GIADRO CCOc1ccc([C@@H](C)NC(=O)Nc2ccccc2N2CC[NH+](CC)CC2)cc1 ZINC000043574712 821429192 /nfs/dbraw/zinc/42/91/92/821429192.db2.gz PMVJUTQBNLOLGM-GOSISDBHSA-N 1 0 396.535 4.110 20 0 GIADRO COc1ccc([C@@H]([NH2+][C@@H]2CCN(c3ncccc3F)C2)c2ccccc2)cc1 ZINC000180747769 821431763 /nfs/dbraw/zinc/43/17/63/821431763.db2.gz DSPNBHWGCREEAJ-KNQAVFIVSA-N 1 0 377.463 4.187 20 0 GIADRO C[C@H]([NH2+]CCCC(=O)N1Cc2ccccc2C1)c1ccccc1Br ZINC000180754266 821435561 /nfs/dbraw/zinc/43/55/61/821435561.db2.gz VNNXCJVFJQNMSU-HNNXBMFYSA-N 1 0 387.321 4.422 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)c2cnc(-c3ccco3)s2)CC1 ZINC000180753873 821435605 /nfs/dbraw/zinc/43/56/05/821435605.db2.gz YXDXBYKMFSSVEY-UHFFFAOYSA-N 1 0 375.538 4.377 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)c2cccc(NC(=O)[C@H]3C[C@@H]3C)c2)CC1 ZINC000180758058 821438060 /nfs/dbraw/zinc/43/80/60/821438060.db2.gz NPXLQZJFWAFZAF-AVRDEDQJSA-N 1 0 399.579 4.255 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1ccc(NC(=O)C(C)C)cc1 ZINC000043674793 821440057 /nfs/dbraw/zinc/44/00/57/821440057.db2.gz RYBCFYXHUWVOCY-UHFFFAOYSA-N 1 0 396.535 4.445 20 0 GIADRO Cc1ccc([C@H]([NH2+]C[C@]2(C)CCCS2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000180765337 821441962 /nfs/dbraw/zinc/44/19/62/821441962.db2.gz MPEQXFWZLMYGAS-SFTDATJTSA-N 1 0 389.586 4.363 20 0 GIADRO O=c1cc(C[NH2+][C@H](Cc2ccc(Cl)cc2)c2ccccc2)nc2sccn21 ZINC000180769976 821444675 /nfs/dbraw/zinc/44/46/75/821444675.db2.gz BMBPAAUPQYAZRR-LJQANCHMSA-N 1 0 395.915 4.483 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCN(c2ccccc2F)C1=O)c1ccc(-c2ccncc2)cc1 ZINC000180770105 821445384 /nfs/dbraw/zinc/44/53/84/821445384.db2.gz CDYSRZOOGVURBF-IERDGZPVSA-N 1 0 375.447 4.344 20 0 GIADRO CCN(CC)C(=O)CCC1CC[NH+](Cc2cc(O)ccc2Br)CC1 ZINC000180771750 821446096 /nfs/dbraw/zinc/44/60/96/821446096.db2.gz HJHPSCDIDMZUPQ-UHFFFAOYSA-N 1 0 397.357 4.015 20 0 GIADRO O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000043718508 821446430 /nfs/dbraw/zinc/44/64/30/821446430.db2.gz ZKCVWINCRHTYJK-FQEVSTJZSA-N 1 0 375.944 4.451 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+][C@@H]1CCN(c2ccccc2F)C1=O ZINC000180772463 821446589 /nfs/dbraw/zinc/44/65/89/821446589.db2.gz YRTYOQBNZYAOTG-CXAGYDPISA-N 1 0 396.491 4.109 20 0 GIADRO CCC(=O)N1CC[C@H]([NH2+][C@H](c2ccc(Cl)cc2)c2ccc(OC)c(C)c2)C1 ZINC000180780320 821453183 /nfs/dbraw/zinc/45/31/83/821453183.db2.gz RDPZIZPPDSMTJQ-SIKLNZKXSA-N 1 0 386.923 4.347 20 0 GIADRO O=C(N[C@@H](Cc1ccccc1)c1ccccc1)N1CCC([NH+]2CCCC2)CC1 ZINC000043783676 821457996 /nfs/dbraw/zinc/45/79/96/821457996.db2.gz DPYKUIOYVOBVLV-QHCPKHFHSA-N 1 0 377.532 4.240 20 0 GIADRO C[C@@H]([NH2+]CCNC(=O)c1c(F)cccc1F)[C@H](C)c1nc2ccccc2s1 ZINC000180787860 821458057 /nfs/dbraw/zinc/45/80/57/821458057.db2.gz CEFNKSLLOXIYIM-QWHCGFSZSA-N 1 0 389.471 4.086 20 0 GIADRO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CCNC(=O)c1c(F)cccc1F ZINC000180790452 821459870 /nfs/dbraw/zinc/45/98/70/821459870.db2.gz LHNQRZLARQFQDS-NSHDSACASA-N 1 0 381.492 4.108 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)c1ccccc1C(F)(F)F)[NH+]1CCCC1 ZINC000043809910 821462603 /nfs/dbraw/zinc/46/26/03/821462603.db2.gz WCNMBYLJRLIACN-SFHVURJKSA-N 1 0 392.421 4.281 20 0 GIADRO C[C@H]([NH2+]CCCOc1cccc2cccnc21)c1ccc(N2CCOC2=O)cc1 ZINC000180803244 821466675 /nfs/dbraw/zinc/46/66/75/821466675.db2.gz NDJKZHKGNHUKNQ-KRWDZBQOSA-N 1 0 391.471 4.311 20 0 GIADRO COCCCOc1cccc(C[N@@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c1 ZINC000180804291 821467562 /nfs/dbraw/zinc/46/75/62/821467562.db2.gz SCNMRRVVLXOREG-KRWDZBQOSA-N 1 0 397.441 4.154 20 0 GIADRO O=C(CSc1ccc(Cl)c(C(F)(F)F)c1)NC1CC[NH+](C2CC2)CC1 ZINC000043835731 821468376 /nfs/dbraw/zinc/46/83/76/821468376.db2.gz PGEQBQWKWPZUOS-UHFFFAOYSA-N 1 0 392.874 4.194 20 0 GIADRO CCOC(=O)CC[C@@H]1CCC[N@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000180806563 821469578 /nfs/dbraw/zinc/46/95/78/821469578.db2.gz HBRXXMLBKWTKAO-IBGZPJMESA-N 1 0 382.504 4.216 20 0 GIADRO CCOC(=O)CC[C@H]1CCC[N@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000180807079 821470294 /nfs/dbraw/zinc/47/02/94/821470294.db2.gz STAWMCREUNKPRU-LJQANCHMSA-N 1 0 382.504 4.216 20 0 GIADRO COc1ccc([C@H](C[NH2+][C@@H](c2ccccc2)c2ccccn2)N(C)C)cc1OC ZINC000180810197 821471552 /nfs/dbraw/zinc/47/15/52/821471552.db2.gz MXAQSWPFCKHRJY-URXFXBBRSA-N 1 0 391.515 4.081 20 0 GIADRO O=C(Nc1cccc(CNCc2ccc(Oc3ccccc3)o2)c1)[C@@H]1CCCO1 ZINC000180819421 821478841 /nfs/dbraw/zinc/47/88/41/821478841.db2.gz MPOKKCXEMLWWFZ-NRFANRHFSA-N 1 0 392.455 4.479 20 0 GIADRO CC(C)CNC(=O)c1cccc(C[NH2+][C@H](C)c2ccc(-n3cccn3)cc2)c1 ZINC000180820920 821480121 /nfs/dbraw/zinc/48/01/21/821480121.db2.gz DCDFBAATFKXPFF-GOSISDBHSA-N 1 0 376.504 4.109 20 0 GIADRO Cc1ccc(OC2CCN(C(=O)NCc3ccc(C[NH+](C)C)cc3)CC2)cc1C ZINC000043885625 821483758 /nfs/dbraw/zinc/48/37/58/821483758.db2.gz OMUNFBKQSKQHQX-UHFFFAOYSA-N 1 0 395.547 4.118 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CCCNC(=O)c1cccs1 ZINC000180832885 821486144 /nfs/dbraw/zinc/48/61/44/821486144.db2.gz FGNLEHGHPOTRRE-ZDUSSCGKSA-N 1 0 386.546 4.046 20 0 GIADRO C[C@@H]([NH2+]CCc1nc2c(s1)CCCC2)c1ccc(OCc2nccn2C)cc1 ZINC000180839906 821489110 /nfs/dbraw/zinc/48/91/10/821489110.db2.gz AHLZGXIYJFIKRF-MRXNPFEDSA-N 1 0 396.560 4.228 20 0 GIADRO C[C@@H]([NH2+]CCCc1nc(-c2ccncc2)cs1)c1ccc([S@@](C)=O)cc1 ZINC000180849687 821494145 /nfs/dbraw/zinc/49/41/45/821494145.db2.gz AGCHTONCFWTNPP-PVPMGCCUSA-N 1 0 385.558 4.226 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1)c1ccc(-n2cccn2)cc1 ZINC000180851589 821495426 /nfs/dbraw/zinc/49/54/26/821495426.db2.gz DSLYEOUOJSGZMB-HOIFWPIMSA-N 1 0 399.922 4.315 20 0 GIADRO COc1cc(OC)c(NC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1Cl ZINC000180855303 821496664 /nfs/dbraw/zinc/49/66/64/821496664.db2.gz NGNCXNGAOIMNLI-KGLIPLIRSA-N 1 0 395.931 4.132 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000043966666 821496993 /nfs/dbraw/zinc/49/69/93/821496993.db2.gz KTRTWWLFEBPALN-UHFFFAOYSA-N 1 0 383.492 4.249 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(NC(=O)c2ccco2)cc1)c1ccsc1 ZINC000043975798 821497016 /nfs/dbraw/zinc/49/70/16/821497016.db2.gz LHSQCMGFTJQFPK-KRWDZBQOSA-N 1 0 398.488 4.018 20 0 GIADRO COc1ccc([C@@H](NC2CC[NH+](C)CC2)c2ccccc2)cc1Br ZINC000180859713 821498269 /nfs/dbraw/zinc/49/82/69/821498269.db2.gz TXAYJBBBYKIGHG-FQEVSTJZSA-N 1 0 389.337 4.231 20 0 GIADRO COc1ccc([C@@H]([NH2+][C@@H]2CCCOC2)c2ccccc2)cc1Br ZINC000180859909 821498800 /nfs/dbraw/zinc/49/88/00/821498800.db2.gz JCTSQWBSUMIULB-APWZRJJASA-N 1 0 376.294 4.316 20 0 GIADRO CC(C)(C)OC(=O)NC1CCC([NH2+]C[C@H](c2ccccc2)C(C)(C)CO)CC1 ZINC000180862285 821500290 /nfs/dbraw/zinc/50/02/90/821500290.db2.gz DEYHQXKTCQRAGE-SOAGJPPSSA-N 1 0 390.568 4.214 20 0 GIADRO CC(=O)Nc1cc(NC(=O)NCC2([NH+]3CCCCC3)CCCCC2)ccc1F ZINC000044016094 821503232 /nfs/dbraw/zinc/50/32/32/821503232.db2.gz UMXQMPAKZSRMBC-UHFFFAOYSA-N 1 0 390.503 4.094 20 0 GIADRO C[C@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000180868782 821504455 /nfs/dbraw/zinc/50/44/55/821504455.db2.gz BPPFABNCXBVKMC-HIFRSBDPSA-N 1 0 375.314 4.316 20 0 GIADRO CCCc1ccccc1NC(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1 ZINC000044079733 821518028 /nfs/dbraw/zinc/51/80/28/821518028.db2.gz KNLMUIGQHDSJPI-UHFFFAOYSA-N 1 0 381.520 4.388 20 0 GIADRO COc1cccc(CN(C)C(=O)C[NH2+][C@@H](C)c2ccc(-c3ccncc3)cc2)c1 ZINC000180894228 821520531 /nfs/dbraw/zinc/52/05/31/821520531.db2.gz DAJVLGLIGLOKIY-SFHVURJKSA-N 1 0 389.499 4.066 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc(-c2ccncc2)cc1)C(=O)NC(=O)Nc1ccccc1 ZINC000180894620 821520633 /nfs/dbraw/zinc/52/06/33/821520633.db2.gz KIGAVFCVHVWSGX-IAGOWNOFSA-N 1 0 388.471 4.136 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1cccc(NC(=O)C2CC2)c1)c1ccccc1 ZINC000044103025 821523822 /nfs/dbraw/zinc/52/38/22/821523822.db2.gz DIANYLIWKFJKRS-NRFANRHFSA-N 1 0 394.519 4.240 20 0 GIADRO COc1ccc(CN2CC[C@@H]([NH2+][C@H](C)c3ccccc3C(F)(F)F)C2=O)cc1 ZINC000180914151 821534195 /nfs/dbraw/zinc/53/41/95/821534195.db2.gz YRIJQLWXUSYKCW-AUUYWEPGSA-N 1 0 392.421 4.166 20 0 GIADRO COc1ccccc1[C@@H](C)NC(=O)C[NH2+][C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000180915889 821535545 /nfs/dbraw/zinc/53/55/45/821535545.db2.gz UTTMFLLAXDTBRW-QZTJIDSGSA-N 1 0 389.499 4.285 20 0 GIADRO C[NH+](C)CCN(CCc1ccccc1)C(=S)Nc1ccc(OC(F)F)cc1 ZINC000044158201 821538395 /nfs/dbraw/zinc/53/83/95/821538395.db2.gz LDSZZNOZGBINPU-UHFFFAOYSA-N 1 0 393.503 4.091 20 0 GIADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)Nc1cc(NC(=O)c2ccccc2)ccc1C ZINC000044186623 821542169 /nfs/dbraw/zinc/54/21/69/821542169.db2.gz MSBFLNBSXQYAHJ-LJQANCHMSA-N 1 0 396.560 4.018 20 0 GIADRO O=C(CCC[NH2+]Cc1ccc(Oc2ccccc2)o1)N1Cc2ccccc2C1 ZINC000180933620 821545250 /nfs/dbraw/zinc/54/52/50/821545250.db2.gz JFHNVENCYIPCMA-UHFFFAOYSA-N 1 0 376.456 4.484 20 0 GIADRO Cc1ccc(-c2ccc(C(=O)Nc3ccc(NC(=O)CC[NH+](C)C)cc3)s2)o1 ZINC000180939958 821548276 /nfs/dbraw/zinc/54/82/76/821548276.db2.gz ZGBHKMFRYNWIBW-UHFFFAOYSA-N 1 0 397.500 4.459 20 0 GIADRO C[C@@H]([NH2+][C@@H](Cc1ccccc1)c1cccs1)c1ccc(-n2cnnn2)cc1 ZINC000180943964 821550100 /nfs/dbraw/zinc/55/01/00/821550100.db2.gz IDBRFMVQMJXMIZ-UZLBHIALSA-N 1 0 375.501 4.358 20 0 GIADRO S=C(Nc1cccc(Br)c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000044235112 821552366 /nfs/dbraw/zinc/55/23/66/821552366.db2.gz VOKLKSSVCDFRRP-UHFFFAOYSA-N 1 0 382.371 4.096 20 0 GIADRO C[C@@H]([NH2+]Cc1cc(=O)oc2cc(O)ccc12)c1ccc(OCC(F)(F)F)cc1 ZINC000180957482 821556140 /nfs/dbraw/zinc/55/61/40/821556140.db2.gz LZZUHTGBOQKFIQ-GFCCVEGCSA-N 1 0 393.361 4.291 20 0 GIADRO CCC[C@@H]([NH2+]C1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1)c1ccccc1 ZINC000180969642 821563141 /nfs/dbraw/zinc/56/31/41/821563141.db2.gz SISWDAWDZZFARV-OAQYLSRUSA-N 1 0 396.531 4.439 20 0 GIADRO COc1ccc(C(=O)N2CCC([NH2+][C@@H](C)[C@H](C)c3ccccc3)CC2)cc1OC ZINC000180971701 821564839 /nfs/dbraw/zinc/56/48/39/821564839.db2.gz OPTVEZCKDDLGTE-ROUUACIJSA-N 1 0 396.531 4.090 20 0 GIADRO O=C1C[C@@H](C[NH2+]Cc2ccc(SC(F)F)cc2)CN1Cc1ccccc1 ZINC000180974631 821566778 /nfs/dbraw/zinc/56/67/78/821566778.db2.gz ONTBPUKBTQDXQY-KRWDZBQOSA-N 1 0 376.472 4.140 20 0 GIADRO CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@@H](C)CC(=O)Nc1cccnc1Cl ZINC000180980327 821571140 /nfs/dbraw/zinc/57/11/40/821571140.db2.gz IFHMRVSLXDFDKZ-LXIYXOSZSA-N 1 0 396.318 4.471 20 0 GIADRO CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+][C@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000180981636 821572503 /nfs/dbraw/zinc/57/25/03/821572503.db2.gz HJIUQLPEXSCZGD-LPMFXHHGSA-N 1 0 396.940 4.138 20 0 GIADRO O[C@@H]1CC[N@H+](Cc2ccccc2CNCc2ccc(-c3ccccc3Cl)o2)C1 ZINC000180995099 821581889 /nfs/dbraw/zinc/58/18/89/821581889.db2.gz GIQBBQSUHLGFJU-LJQANCHMSA-N 1 0 396.918 4.456 20 0 GIADRO Cc1cc(F)ccc1-c1ccc(CNCc2ccccc2C[N@@H+]2CC[C@H](O)C2)o1 ZINC000180998490 821583782 /nfs/dbraw/zinc/58/37/82/821583782.db2.gz HVBVXRWTJBHAAO-NRFANRHFSA-N 1 0 394.490 4.251 20 0 GIADRO Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000181005465 821587816 /nfs/dbraw/zinc/58/78/16/821587816.db2.gz SUHWMIFBJOTFRN-CYBMUJFWSA-N 1 0 396.318 4.371 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[NH2+][C@H](c2cccc(F)c2)C2CCCC2)c1 ZINC000181006152 821588514 /nfs/dbraw/zinc/58/85/14/821588514.db2.gz VZFVLAOOZXFFQC-QFIPXVFZSA-N 1 0 386.467 4.303 20 0 GIADRO Cc1cc([C@H]([NH2+]CC2CCS(=O)(=O)CC2)c2ccccc2Cl)ccc1F ZINC000181024333 821598968 /nfs/dbraw/zinc/59/89/68/821598968.db2.gz VOPIHOCTUFQACU-FQEVSTJZSA-N 1 0 395.927 4.291 20 0 GIADRO Cc1ccc([C@H]([NH2+]CC2CCS(=O)(=O)CC2)c2ccccc2Cl)cc1 ZINC000181023964 821599005 /nfs/dbraw/zinc/59/90/05/821599005.db2.gz RIUWXVHOLRGPCB-FQEVSTJZSA-N 1 0 377.937 4.152 20 0 GIADRO Cc1nc(CSc2ccccc2C(=O)NCC[N@H+]2CCCC[C@H]2C)cs1 ZINC000044532911 821601094 /nfs/dbraw/zinc/60/10/94/821601094.db2.gz SKDFPQONMOABRO-OAHLLOKOSA-N 1 0 389.590 4.348 20 0 GIADRO O=C(N[C@@H]1CCCOc2cc(Cl)ccc21)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000181028199 821601239 /nfs/dbraw/zinc/60/12/39/821601239.db2.gz LJDUEMNDNKXKAY-PKOBYXMFSA-N 1 0 391.943 4.214 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+][C@H](Cc2ccccc2)C2CC2)c1 ZINC000181049085 821610361 /nfs/dbraw/zinc/61/03/61/821610361.db2.gz PNHXDNJTMGSFNF-OXQOHEQNSA-N 1 0 382.504 4.032 20 0 GIADRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)CCCc2ncc(-c3ccccc3)o2)C1 ZINC000044583358 821615306 /nfs/dbraw/zinc/61/53/06/821615306.db2.gz VRICCGBMBBCSQK-OALUTQOASA-N 1 0 383.536 4.149 20 0 GIADRO O=C1OCCN1c1ccc(C[NH2+][C@@H]2CCc3c2cccc3Br)cc1 ZINC000181067047 821617173 /nfs/dbraw/zinc/61/71/73/821617173.db2.gz HOXNVVAOLCJXAV-GOSISDBHSA-N 1 0 387.277 4.183 20 0 GIADRO Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000181072520 821618232 /nfs/dbraw/zinc/61/82/32/821618232.db2.gz CDRPVGLELTVZQO-ZBEGNZNMSA-N 1 0 396.318 4.369 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(N2CCOC2=O)cc1)c1ccccc1Br ZINC000181072587 821618427 /nfs/dbraw/zinc/61/84/27/821618427.db2.gz KNLXNOKINYAEHI-ZDUSSCGKSA-N 1 0 375.266 4.257 20 0 GIADRO CC(C)(C)[C@@H]([NH2+]CC(=O)Nc1cccc(C(=O)NC2CC2)c1)c1cccc(F)c1 ZINC000181074519 821619784 /nfs/dbraw/zinc/61/97/84/821619784.db2.gz ZOSGGWMXJHOTEY-NRFANRHFSA-N 1 0 397.494 4.033 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]C1CCC(S(C)(=O)=O)CC1 ZINC000181117693 821642816 /nfs/dbraw/zinc/64/28/16/821642816.db2.gz NYVULNPVUYLYKM-RWBZWWBESA-N 1 0 392.590 4.433 20 0 GIADRO COc1ccccc1-c1ccc([C@H](C)[NH2+]C2CCC(S(C)(=O)=O)CC2)cc1 ZINC000181119313 821644915 /nfs/dbraw/zinc/64/49/15/821644915.db2.gz NFTMQDZUUVERQF-DZIBYMRMSA-N 1 0 387.545 4.369 20 0 GIADRO Cc1ccc(CNC(=O)C2CC[NH+]([C@@H](C)c3nc4ccccc4o3)CC2)cc1 ZINC000181131283 821652278 /nfs/dbraw/zinc/65/22/78/821652278.db2.gz KPCMMGWNGKKOIH-KRWDZBQOSA-N 1 0 377.488 4.226 20 0 GIADRO C[C@H]([NH2+]CC(=O)N(C)CC(F)(F)F)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000181139232 821658084 /nfs/dbraw/zinc/65/80/84/821658084.db2.gz YDWLGDUHYDOEFS-AWEZNQCLSA-N 1 0 398.400 4.076 20 0 GIADRO C[NH+]1CCN(c2ccc(NC(=O)/C=C/c3ccsc3)c(C(F)(F)F)c2)CC1 ZINC000044796668 821664411 /nfs/dbraw/zinc/66/44/11/821664411.db2.gz WMJRCRKNUHRUDS-GORDUTHDSA-N 1 0 395.450 4.171 20 0 GIADRO C[C@H](c1nc2ccccc2o1)[NH+]1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000181158770 821670727 /nfs/dbraw/zinc/67/07/27/821670727.db2.gz AJWJRGKBRVYBJG-MRXNPFEDSA-N 1 0 375.472 4.190 20 0 GIADRO Fc1ccc([C@H]([NH2+]C[C@H]2COC3(CCOCC3)O2)c2ccccc2Cl)cc1 ZINC000181158798 821670891 /nfs/dbraw/zinc/67/08/91/821670891.db2.gz SNZFMTLGJOTNEW-PXNSSMCTSA-N 1 0 391.870 4.080 20 0 GIADRO CC[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(OC)c(OC)c1 ZINC000044856757 821672917 /nfs/dbraw/zinc/67/29/17/821672917.db2.gz BEWFGIVCMDZWJT-RTWAWAEBSA-N 1 0 396.531 4.183 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)CCc1ccc(Cl)s1)[NH+]1CCCC1 ZINC000044870084 821674343 /nfs/dbraw/zinc/67/43/43/821674343.db2.gz IESXDFFJUMFYCQ-QGZVFWFLSA-N 1 0 392.952 4.296 20 0 GIADRO Cc1ccc(C)c(OCC(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)c1 ZINC000044876629 821675489 /nfs/dbraw/zinc/67/54/89/821675489.db2.gz UAHLWQIPZLYZFY-UHFFFAOYSA-N 1 0 380.532 4.231 20 0 GIADRO COc1ccc(S[C@H](C)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000044875148 821675568 /nfs/dbraw/zinc/67/55/68/821675568.db2.gz LEXBSKLNNPDARM-GOSISDBHSA-N 1 0 398.572 4.478 20 0 GIADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@H](C)Oc1ccccc1Cl ZINC000181181710 821681473 /nfs/dbraw/zinc/68/14/73/821681473.db2.gz YFYJSHDRMBSNBI-OLZOCXBDSA-N 1 0 382.291 4.163 20 0 GIADRO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(-c2c(OC)ccc3ccccc32)no1 ZINC000181185417 821684214 /nfs/dbraw/zinc/68/42/14/821684214.db2.gz KZHQXVDUHCXCEK-INIZCTEOSA-N 1 0 380.444 4.031 20 0 GIADRO Cc1cc2ncc([C@@H](C)[NH2+]Cc3ccc(COCC(F)(F)F)cc3)c(C)n2n1 ZINC000181196665 821691178 /nfs/dbraw/zinc/69/11/78/821691178.db2.gz SSGNXARHXBELAQ-CQSZACIVSA-N 1 0 392.425 4.276 20 0 GIADRO COc1cc([C@H](C)[NH2+]C[C@@H](OC)c2cccc(Cl)c2)cc(OC)c1OC ZINC000181197741 821691999 /nfs/dbraw/zinc/69/19/99/821691999.db2.gz KCFAZCPAODPRBC-ORAYPTAESA-N 1 0 379.884 4.404 20 0 GIADRO CC(=O)Nc1cccc(Nc2nnc(SCC[C@@H]3CCCC[N@H+]3C)s2)c1 ZINC000045022850 821693193 /nfs/dbraw/zinc/69/31/93/821693193.db2.gz IFXCZXHHRILIAH-INIZCTEOSA-N 1 0 391.566 4.207 20 0 GIADRO O=C(C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1)Nc1cc(Cl)ccc1F ZINC000181216400 821702547 /nfs/dbraw/zinc/70/25/47/821702547.db2.gz KZTVOOSMBVDFMH-KSSFIOAISA-N 1 0 376.859 4.175 20 0 GIADRO Cc1ccc([C@H](C)NC(=O)C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)cc1C ZINC000181218681 821703921 /nfs/dbraw/zinc/70/39/21/821703921.db2.gz ZTDBDJFBOJPDLG-JTAQYXEDSA-N 1 0 380.532 4.238 20 0 GIADRO CC(C)[C@H](NC(=O)C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1)c1ccccc1 ZINC000181219209 821703937 /nfs/dbraw/zinc/70/39/37/821703937.db2.gz KPACTYZZGJRSAQ-APTRMMRNSA-N 1 0 380.532 4.257 20 0 GIADRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CCCNC(=O)C3CCC3)s2)cc1 ZINC000181233379 821710300 /nfs/dbraw/zinc/71/03/00/821710300.db2.gz VKIPLRDUZQFVQM-CQSZACIVSA-N 1 0 387.549 4.084 20 0 GIADRO CC(C)c1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000181265948 821724259 /nfs/dbraw/zinc/72/42/59/821724259.db2.gz HFOWEUBSFZXLGE-SJORKVTESA-N 1 0 395.503 4.444 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]Cc2ccccc2N2CCCCC2)cc1NC(C)=O ZINC000181266868 821725147 /nfs/dbraw/zinc/72/51/47/821725147.db2.gz WMGIIEXUKORHHG-QGZVFWFLSA-N 1 0 381.520 4.495 20 0 GIADRO CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@H](C)c2cccnc2Cl)cc1 ZINC000181279192 821731556 /nfs/dbraw/zinc/73/15/56/821731556.db2.gz BLKSIPUMHBDUKE-JKSUJKDBSA-N 1 0 389.927 4.442 20 0 GIADRO CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@H](C)c2ccc(Cl)nc2)cc1 ZINC000181279632 821731741 /nfs/dbraw/zinc/73/17/41/821731741.db2.gz PFWJUKOCOFTMPX-CVEARBPZSA-N 1 0 389.927 4.442 20 0 GIADRO COc1cccc([C@@H]2[C@H]([NH2+][C@H](C)c3nc4ccccc4n3C)CCN2C2CC2)c1 ZINC000181280360 821732202 /nfs/dbraw/zinc/73/22/02/821732202.db2.gz ZQUQAJRQPNIZDY-FQQGMQMYSA-N 1 0 390.531 4.211 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CCc2ccccc2OC(F)(F)F)cc1NC(C)=O ZINC000181281125 821732281 /nfs/dbraw/zinc/73/22/81/821732281.db2.gz JSHIZVFFAGEAIV-CYBMUJFWSA-N 1 0 396.409 4.446 20 0 GIADRO COc1cccc([C@@H]2[C@@H]([NH2+][C@H](C)c3nc4ccccc4n3C)CCN2C2CC2)c1 ZINC000181280400 821732347 /nfs/dbraw/zinc/73/23/47/821732347.db2.gz ZQUQAJRQPNIZDY-XORNHQRDSA-N 1 0 390.531 4.211 20 0 GIADRO C[C@H]([NH2+]CC(=O)NCc1cccc(Cl)c1)c1ccc(-c2cccnc2)cc1 ZINC000181280549 821732560 /nfs/dbraw/zinc/73/25/60/821732560.db2.gz RGEGUBYYLKRLRV-INIZCTEOSA-N 1 0 379.891 4.369 20 0 GIADRO CC(C)c1cccc(NC(=O)C[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)c1 ZINC000181281802 821732993 /nfs/dbraw/zinc/73/29/93/821732993.db2.gz JTQZLFOSFQFDFT-INIZCTEOSA-N 1 0 381.476 4.056 20 0 GIADRO Cc1cc2oc(=O)cc(C[NH2+][C@@H](C)c3ccc(N4CCOC4=O)cc3)c2cc1C ZINC000181284433 821734455 /nfs/dbraw/zinc/73/44/55/821734455.db2.gz HBBVREIMHZCLCN-INIZCTEOSA-N 1 0 392.455 4.217 20 0 GIADRO COc1ccccc1N1CC[C@@H]([NH2+][C@@H](C)c2ccc(-c3ccncc3)cc2)C1=O ZINC000181286942 821735621 /nfs/dbraw/zinc/73/56/21/821735621.db2.gz PBQGVMRJOQLXTA-LAUBAEHRSA-N 1 0 387.483 4.213 20 0 GIADRO COc1cccc(CN(C)C(=O)C[NH2+][C@H](C)c2ccc(-c3cccnc3)cc2)c1 ZINC000181287167 821735636 /nfs/dbraw/zinc/73/56/36/821735636.db2.gz ZLQUHYWVYCJZDD-GOSISDBHSA-N 1 0 389.499 4.066 20 0 GIADRO COc1ccccc1CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000181288318 821736384 /nfs/dbraw/zinc/73/63/84/821736384.db2.gz PEXPZTHUUIZTBF-ZWKOTPCHSA-N 1 0 389.499 4.113 20 0 GIADRO Cc1noc(C)c1[C@H](C)CC(=O)O[C@H]1CC[N@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000181295545 821741468 /nfs/dbraw/zinc/74/14/68/821741468.db2.gz HBQVDJAXAXLLOD-VFNWGFHPSA-N 1 0 382.504 4.091 20 0 GIADRO COCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(Oc3ccccc3)c(F)c1)CC2 ZINC000181301515 821744147 /nfs/dbraw/zinc/74/41/47/821744147.db2.gz SZTHKRBZZBVYAK-NVXWUHKLSA-N 1 0 396.466 4.022 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1cc(C(C)(C)C)no1)c1ccc(-c2cccnc2)cc1 ZINC000181305312 821745210 /nfs/dbraw/zinc/74/52/10/821745210.db2.gz OJGIAIIPPZBFON-HNNXBMFYSA-N 1 0 378.476 4.323 20 0 GIADRO Cc1sc(CC[NH2+]C2CCN(Cc3cccnc3)CC2)nc1-c1ccccc1 ZINC000181306747 821746341 /nfs/dbraw/zinc/74/63/41/821746341.db2.gz UEGYNWJOLXORJU-UHFFFAOYSA-N 1 0 392.572 4.310 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1cccc2ccccc21)c1cccc(N2CCOC2=O)c1 ZINC000181309419 821748290 /nfs/dbraw/zinc/74/82/90/821748290.db2.gz VLTFLZZGZFRNJT-INIZCTEOSA-N 1 0 389.455 4.086 20 0 GIADRO CCCc1c(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cnn1-c1ccccc1 ZINC000181318693 821756143 /nfs/dbraw/zinc/75/61/43/821756143.db2.gz YDHRMNUZRDPWJM-RTBURBONSA-N 1 0 394.563 4.208 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc(-c2cccnc2)cc1)C(=O)N1CCc2sccc2C1 ZINC000181322110 821757994 /nfs/dbraw/zinc/75/79/94/821757994.db2.gz FATIMOCOTWIUFN-IAGOWNOFSA-N 1 0 391.540 4.434 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)COc1cccc2[nH]ccc21)c1ccc(-c2cccnc2)cc1 ZINC000181324059 821759028 /nfs/dbraw/zinc/75/90/28/821759028.db2.gz VKLOXVRUTYUHDO-DYESRHJHSA-N 1 0 387.483 4.320 20 0 GIADRO COCc1noc([C@@H](C)[NH2+]C[C@@H](c2c[nH]c3ccccc32)c2ccccc2)n1 ZINC000181324418 821759606 /nfs/dbraw/zinc/75/96/06/821759606.db2.gz WCCRIKYDXBZDBW-CRAIPNDOSA-N 1 0 376.460 4.180 20 0 GIADRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)CCc1ccc2[nH]ccc2c1 ZINC000181325305 821760282 /nfs/dbraw/zinc/76/02/82/821760282.db2.gz MCZBYBKCDJDWTR-RTBURBONSA-N 1 0 389.543 4.373 20 0 GIADRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@@H]1CCCOc2c(F)cccc21 ZINC000181326940 821760738 /nfs/dbraw/zinc/76/07/38/821760738.db2.gz UGXGDWXPNDTZAT-SWLSCSKDSA-N 1 0 377.847 4.095 20 0 GIADRO COc1cccc2[nH]cc(CC[NH2+]C3CCN(CCc4ccc(F)cc4)CC3)c21 ZINC000181332701 821765277 /nfs/dbraw/zinc/76/52/77/821765277.db2.gz ZXVFHXYWYONKTN-UHFFFAOYSA-N 1 0 395.522 4.155 20 0 GIADRO Cc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)c(Cl)c1 ZINC000181341936 821773091 /nfs/dbraw/zinc/77/30/91/821773091.db2.gz JTRSYRGVFJATBS-OAHLLOKOSA-N 1 0 385.895 4.065 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(OC(C)(C)C)nc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000181348222 821777614 /nfs/dbraw/zinc/77/76/14/821777614.db2.gz MKXPPOKUUWDQGG-HNNXBMFYSA-N 1 0 382.508 4.394 20 0 GIADRO CSc1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000181374228 821793562 /nfs/dbraw/zinc/79/35/62/821793562.db2.gz GOJWDZNWZLLSNK-HZPDHXFCSA-N 1 0 397.544 4.213 20 0 GIADRO Cc1ccc(C[C@H](C)C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)cc1 ZINC000181383098 821797947 /nfs/dbraw/zinc/79/79/47/821797947.db2.gz JMDXDCTVMKHYLI-IBGZPJMESA-N 1 0 379.548 4.343 20 0 GIADRO Cc1sc(NC(=O)C[NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)c(C)c1C ZINC000181383468 821798312 /nfs/dbraw/zinc/79/83/12/821798312.db2.gz QNJQBNABYAHANL-OAHLLOKOSA-N 1 0 385.533 4.089 20 0 GIADRO CC(C)c1ccccc1OC[C@H](O)C[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181392668 821803214 /nfs/dbraw/zinc/80/32/14/821803214.db2.gz LVKUYMYLPDXEIX-WIYYLYMNSA-N 1 0 396.531 4.027 20 0 GIADRO C[C@@H]1C[N@H+](Cn2ccc(=O)c3cccc(Br)c32)[C@H]2CCCC[C@H]12 ZINC000181404556 821808655 /nfs/dbraw/zinc/80/86/55/821808655.db2.gz XDIZQRINSJIZDP-CPUCHLNUSA-N 1 0 375.310 4.232 20 0 GIADRO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)c(C)c1 ZINC000181409897 821810580 /nfs/dbraw/zinc/81/05/80/821810580.db2.gz UOCZXGLUAICKAO-ROUUACIJSA-N 1 0 379.504 4.108 20 0 GIADRO C[C@H](NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cc(Br)ccc1F ZINC000181413152 821812639 /nfs/dbraw/zinc/81/26/39/821812639.db2.gz CXVBCDAOCIKDJO-BKTGTZMESA-N 1 0 399.348 4.007 20 0 GIADRO COC[C@H]([NH2+]Cc1ccc(SC(=O)N(C)C)cc1)c1ccc(F)c(F)c1 ZINC000181417097 821814763 /nfs/dbraw/zinc/81/47/63/821814763.db2.gz JZYMTSCTPXVPPM-SFHVURJKSA-N 1 0 380.460 4.216 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+]C[C@H](O)c2cc(Cl)cc(Cl)c2)s1 ZINC000181422240 821818539 /nfs/dbraw/zinc/81/85/39/821818539.db2.gz GZJFHMHWNGJDIC-BMIGLBTASA-N 1 0 389.348 4.331 20 0 GIADRO C[C@H](NC(=O)CCC(=O)c1ccc(Cl)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181429320 821822202 /nfs/dbraw/zinc/82/22/02/821822202.db2.gz JNFFREBOEMPRFU-DOTOQJQBSA-N 1 0 376.928 4.072 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)s1 ZINC000181431930 821823693 /nfs/dbraw/zinc/82/36/93/821823693.db2.gz FATOSBCDZMBIHO-FUHIMQAGSA-N 1 0 387.593 4.344 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+][C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)s1 ZINC000181432409 821824214 /nfs/dbraw/zinc/82/42/14/821824214.db2.gz CBWOIGBVOGTUEO-NUEKZKHPSA-N 1 0 397.585 4.127 20 0 GIADRO C[C@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1cc2c(ccc3ccccc23)o1 ZINC000181449465 821831038 /nfs/dbraw/zinc/83/10/38/821831038.db2.gz IPYFCLVCGGRSOS-HNNXBMFYSA-N 1 0 394.496 4.127 20 0 GIADRO C[C@H](NC(=O)CSCc1ccc(Cl)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181449925 821831519 /nfs/dbraw/zinc/83/15/19/821831519.db2.gz HXDGCQQFXRPMRP-DOTOQJQBSA-N 1 0 380.985 4.342 20 0 GIADRO CC[C@@H]([NH2+]Cc1ccc(NC(N)=O)cc1)c1cc(F)cc(Br)c1 ZINC000181457845 821834735 /nfs/dbraw/zinc/83/47/35/821834735.db2.gz ZQMJNHDKPRUAOG-MRXNPFEDSA-N 1 0 380.261 4.320 20 0 GIADRO CC(C)c1nn(C)c2sc(C(=O)N[C@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)cc12 ZINC000181462895 821837517 /nfs/dbraw/zinc/83/75/17/821837517.db2.gz RJJLWZBITPDPNX-CABCVRRESA-N 1 0 388.581 4.141 20 0 GIADRO Cc1ccc(Cl)c(O[C@H](C)C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000181469487 821841004 /nfs/dbraw/zinc/84/10/04/821841004.db2.gz GWQKOJKCIHARAT-GVDBMIGSSA-N 1 0 378.944 4.185 20 0 GIADRO CCCNC(=O)CN1CCC([NH2+][C@@H](C)c2cc3c(ccc4ccccc34)o2)CC1 ZINC000181486633 821847930 /nfs/dbraw/zinc/84/79/30/821847930.db2.gz WEUQQTRZEFRFHN-KRWDZBQOSA-N 1 0 393.531 4.227 20 0 GIADRO Cc1nc(CCC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)oc1-c1ccccc1 ZINC000181487518 821848583 /nfs/dbraw/zinc/84/85/83/821848583.db2.gz GSLPZUODMBFCKG-YLJYHZDGSA-N 1 0 395.547 4.352 20 0 GIADRO Cc1ccc(Br)c(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000181505700 821857659 /nfs/dbraw/zinc/85/76/59/821857659.db2.gz FEKGOLIADTVMIQ-CABCVRRESA-N 1 0 379.342 4.140 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1cccc(O)c1 ZINC000181506945 821858600 /nfs/dbraw/zinc/85/86/00/821858600.db2.gz ARWMDTJNJUMNMR-KUHUBIRLSA-N 1 0 392.421 4.253 20 0 GIADRO CN(C[C@@H]1CCCC[C@@H]1O)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000181509284 821859954 /nfs/dbraw/zinc/85/99/54/821859954.db2.gz VNADPUNHVLSKOP-UGKGYDQZSA-N 1 0 387.568 4.466 20 0 GIADRO Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000181509087 821860155 /nfs/dbraw/zinc/86/01/55/821860155.db2.gz IXLUSRODKHXQLM-UHFFFAOYSA-N 1 0 393.503 4.247 20 0 GIADRO C[C@@H](NC(=O)CCc1ccccc1OC(F)(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181512037 821861655 /nfs/dbraw/zinc/86/16/55/821861655.db2.gz POLUVACMRCPVPD-WBVHZDCISA-N 1 0 398.469 4.287 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)c1cccc(O)c1 ZINC000181520785 821864702 /nfs/dbraw/zinc/86/47/02/821864702.db2.gz VGJVMOKCDSWVGE-HNNXBMFYSA-N 1 0 382.460 4.113 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1cc2c(cc1Cl)OCCCO2)[C@@H](C)c1ccccc1 ZINC000181527294 821867126 /nfs/dbraw/zinc/86/71/26/821867126.db2.gz XIEBBUKWCGSPBK-CABCVRRESA-N 1 0 388.895 4.222 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(SCC(F)F)cc1 ZINC000181529460 821868255 /nfs/dbraw/zinc/86/82/55/821868255.db2.gz JNIHNUMPMQPEDA-RISCZKNCSA-N 1 0 396.425 4.248 20 0 GIADRO Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2cnc3cc(C)nn3c2C)n(-c2ccccc2)n1 ZINC000181531520 821869213 /nfs/dbraw/zinc/86/92/13/821869213.db2.gz YMAGEUOMCPLKGF-QAPCUYQASA-N 1 0 388.519 4.122 20 0 GIADRO Cc1cc2cc(C(=O)N(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)oc2c(Br)c1 ZINC000181538275 821872335 /nfs/dbraw/zinc/87/23/35/821872335.db2.gz WLNTVIXIURENIP-TZMCWYRMSA-N 1 0 379.298 4.058 20 0 GIADRO C[C@H]([NH2+][C@@H](C)[C@H](OC1CCOCC1)c1ccccc1)c1ccc2c(c1)OCO2 ZINC000181538055 821872512 /nfs/dbraw/zinc/87/25/12/821872512.db2.gz VISWKCHLFUTTEN-QQMNAOGKSA-N 1 0 383.488 4.391 20 0 GIADRO COc1ccc([C@H](C)[NH2+]C[C@@H](c2ccccc2)C(C)(C)CO)cc1NC(C)=O ZINC000181555323 821879458 /nfs/dbraw/zinc/87/94/58/821879458.db2.gz UZLCOMJVZABICD-JXFKEZNVSA-N 1 0 384.520 4.107 20 0 GIADRO C[C@H]([NH2+]C[C@@H](c1ccccc1)C(C)(C)CO)c1ccc(NC(=O)NC2CC2)cc1 ZINC000181556824 821879971 /nfs/dbraw/zinc/87/99/71/821879971.db2.gz SJJVGMOQSQJDIL-JTSKRJEESA-N 1 0 395.547 4.423 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](c1ccccc1)C(C)(C)CO)c1ccc(NC(=O)NC2CC2)cc1 ZINC000181556844 821880254 /nfs/dbraw/zinc/88/02/54/821880254.db2.gz SJJVGMOQSQJDIL-VGSWGCGISA-N 1 0 395.547 4.423 20 0 GIADRO Cc1c(NC(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)cccc1C(=O)Nc1ccccc1 ZINC000181577823 821886161 /nfs/dbraw/zinc/88/61/61/821886161.db2.gz ZSPDTHGXODTUML-NRFANRHFSA-N 1 0 394.519 4.051 20 0 GIADRO C[C@H](c1ccncc1)N1CCC([NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000181586726 821891425 /nfs/dbraw/zinc/89/14/25/821891425.db2.gz OALHJWRVJPUHJS-RBUKOAKNSA-N 1 0 392.547 4.085 20 0 GIADRO CC(=O)c1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(OCC3CC3)c(F)c2)cc1 ZINC000181589409 821892358 /nfs/dbraw/zinc/89/23/58/821892358.db2.gz LTQGQQAKTGGYFO-AWEZNQCLSA-N 1 0 384.451 4.106 20 0 GIADRO O[C@@H](C[NH2+][C@@H](Cc1cccc(F)c1)c1cccc(F)c1)COCc1ccco1 ZINC000181594152 821895025 /nfs/dbraw/zinc/89/50/25/821895025.db2.gz ITOOWGBHOGYALE-UNMCSNQZSA-N 1 0 387.426 4.009 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2ccc(COC3CCOCC3)cc2)c1 ZINC000181610571 821902611 /nfs/dbraw/zinc/90/26/11/821902611.db2.gz VKKLNLGHUPTJRD-QGZVFWFLSA-N 1 0 382.504 4.191 20 0 GIADRO CN(C)S(=O)(=O)c1ccc(C[NH2+][C@@H](c2ccc(F)cc2F)C(C)(C)C)cc1 ZINC000181619707 821906281 /nfs/dbraw/zinc/90/62/81/821906281.db2.gz GZBQDBJUZIZTMK-IBGZPJMESA-N 1 0 396.503 4.092 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1cccnc1)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000181629799 821912404 /nfs/dbraw/zinc/91/24/04/821912404.db2.gz SEQWHHACBQPWCD-HOTGVXAUSA-N 1 0 381.476 4.191 20 0 GIADRO Cc1noc(C)c1[C@H](C)C[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000181630309 821912913 /nfs/dbraw/zinc/91/29/13/821912913.db2.gz MMWBVMXZHUGDBJ-CYBMUJFWSA-N 1 0 379.907 4.442 20 0 GIADRO C[C@@H]([NH2+]CC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)c1cccnc1 ZINC000181638206 821916874 /nfs/dbraw/zinc/91/68/74/821916874.db2.gz ZUQHNCZRECOWCL-GCJKJVERSA-N 1 0 398.510 4.162 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1)c1cccnc1 ZINC000181651021 821923398 /nfs/dbraw/zinc/92/33/98/821923398.db2.gz JHPVLYNNOVZSGR-OPAMFIHVSA-N 1 0 398.453 4.178 20 0 GIADRO Cc1ccccc1[C@H](OC[C@@H](O)C[NH2+][C@@H](C)c1cccnc1)c1ccccc1 ZINC000181663090 821930026 /nfs/dbraw/zinc/93/00/26/821930026.db2.gz UKYGFHBGSOPSCA-NGYIFUPDSA-N 1 0 376.500 4.208 20 0 GIADRO CC[C@@H](CSc1ccccc1)[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(OC)c1 ZINC000181667428 821933423 /nfs/dbraw/zinc/93/34/23/821933423.db2.gz PMWVHAIKAFAUCV-RDJZCZTQSA-N 1 0 393.574 4.320 20 0 GIADRO C[C@H](NC(=O)COc1ccc(Cl)c(Cl)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181680464 821940791 /nfs/dbraw/zinc/94/07/91/821940791.db2.gz DNAGSRRYSQJOHG-UONOGXRCSA-N 1 0 385.335 4.141 20 0 GIADRO COC(=O)c1ccc(C[NH2+][C@@H](C)c2cccc(OC(F)(F)F)c2)cc1OC ZINC000181687294 821944381 /nfs/dbraw/zinc/94/43/81/821944381.db2.gz OUFBNLGHDRXCST-LBPRGKRZSA-N 1 0 383.366 4.231 20 0 GIADRO CNC(=O)Cc1nc(CNC2(c3ccc(C(C)(C)C)cc3)CCCC2)cs1 ZINC000181691387 821945989 /nfs/dbraw/zinc/94/59/89/821945989.db2.gz UOPBXQZUBPFWEJ-UHFFFAOYSA-N 1 0 385.577 4.288 20 0 GIADRO CC(C)(C)C(=O)N1CCC(C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)CC1 ZINC000181708922 821953802 /nfs/dbraw/zinc/95/38/02/821953802.db2.gz ORFHSCIKCHHXHI-UHFFFAOYSA-N 1 0 388.396 4.088 20 0 GIADRO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@H](C)[C@@H]1COc2ccccc21 ZINC000181720354 821960249 /nfs/dbraw/zinc/96/02/49/821960249.db2.gz MKSSDVWGQPKVNA-MDZRGWNJSA-N 1 0 386.923 4.231 20 0 GIADRO COc1ccc(C[C@H]([NH2+]Cc2cccc(N(C)C)n2)c2ccc(OC)cc2)cc1 ZINC000181734306 821967442 /nfs/dbraw/zinc/96/74/42/821967442.db2.gz BTDWVJDEXWPXMS-QHCPKHFHSA-N 1 0 391.515 4.238 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+]CC2CCN(Cc3nc(C)c(C)o3)CC2)C12CCCCC2 ZINC000181740801 821971446 /nfs/dbraw/zinc/97/14/46/821971446.db2.gz BEOBROLPYQCJLS-LEWJYISDSA-N 1 0 389.584 4.221 20 0 GIADRO Cc1cccc(Oc2ncccc2NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1C ZINC000181743522 821972689 /nfs/dbraw/zinc/97/26/89/821972689.db2.gz LQDAGRYRIDLYLU-IBGZPJMESA-N 1 0 394.519 4.440 20 0 GIADRO CC(C)(C)C(=O)N1CCC(C[NH+]2CCC(c3c[nH]c4ncccc34)CC2)CC1 ZINC000181760513 821980056 /nfs/dbraw/zinc/98/00/56/821980056.db2.gz KOJBMOWTXPVNAV-UHFFFAOYSA-N 1 0 382.552 4.027 20 0 GIADRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+]CC1CCS(=O)(=O)CC1 ZINC000181763085 821981640 /nfs/dbraw/zinc/98/16/40/821981640.db2.gz CDLDFCCFDYFQFP-LBPRGKRZSA-N 1 0 398.981 4.247 20 0 GIADRO Cc1cc(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)ccc1Oc1cccnc1 ZINC000181763522 821981899 /nfs/dbraw/zinc/98/18/99/821981899.db2.gz GPNAYZGBTPYJAR-SFHVURJKSA-N 1 0 380.492 4.132 20 0 GIADRO C[C@@H]([NH2+]CC(=O)NCCc1nc2ccccc2s1)c1cc2ccccc2o1 ZINC000181770370 821985872 /nfs/dbraw/zinc/98/58/72/821985872.db2.gz UBHHHNIJWCKDKY-CQSZACIVSA-N 1 0 379.485 4.052 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@H]2CCN(C)[C@@H]2c2ccccc2)cc1Cn1cccn1 ZINC000181784818 821990686 /nfs/dbraw/zinc/99/06/86/821990686.db2.gz GZJWPYIUWVXEHW-JKFKMHIGSA-N 1 0 390.531 4.036 20 0 GIADRO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000181822247 822006502 /nfs/dbraw/zinc/00/65/02/822006502.db2.gz RRADEFRBUNWQJB-MAUKXSAKSA-N 1 0 385.577 4.448 20 0 GIADRO O=C1C[C@H](C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)CN1Cc1ccccc1 ZINC000181826706 822008555 /nfs/dbraw/zinc/00/85/55/822008555.db2.gz UCBONXVEXBWJRS-AUSIDOKSSA-N 1 0 390.527 4.027 20 0 GIADRO C[C@H](C[NH2+][C@H](C)c1cnn(Cc2ccccc2)c1)c1nc(-c2ccccc2)no1 ZINC000181846362 822015339 /nfs/dbraw/zinc/01/53/39/822015339.db2.gz DEHRDDQCGRJGFU-QZTJIDSGSA-N 1 0 387.487 4.436 20 0 GIADRO C[C@H]([NH2+]CC(=O)N(Cc1ccccc1)C1CC1)c1cccc(N2CCCC2)c1 ZINC000181854675 822017386 /nfs/dbraw/zinc/01/73/86/822017386.db2.gz VSHIJNKXDJWPAG-IBGZPJMESA-N 1 0 377.532 4.129 20 0 GIADRO CC(C)OCCCCNC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000181881161 822025041 /nfs/dbraw/zinc/02/50/41/822025041.db2.gz CGSPJGOHLWEVDS-UHFFFAOYSA-N 1 0 395.975 4.056 20 0 GIADRO C[C@@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1cccc(OC(F)(F)F)c1 ZINC000181898614 822030561 /nfs/dbraw/zinc/03/05/61/822030561.db2.gz HMNHSPOQVGKQBM-LLVKDONJSA-N 1 0 383.395 4.198 20 0 GIADRO COC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(OC)c(Br)c2)c1 ZINC000181905866 822032920 /nfs/dbraw/zinc/03/29/20/822032920.db2.gz RTUCSTQOYXEJJB-LBPRGKRZSA-N 1 0 378.266 4.095 20 0 GIADRO COc1ccccc1-c1cccc(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000181908316 822034289 /nfs/dbraw/zinc/03/42/89/822034289.db2.gz OSWQPMUDWBRKMO-SFHVURJKSA-N 1 0 379.504 4.312 20 0 GIADRO COc1ccccc1[C@H](C[NH2+][C@H](C)c1ccc(NC(C)=O)cc1)N1CCCC1 ZINC000181913659 822035514 /nfs/dbraw/zinc/03/55/14/822035514.db2.gz MUZRRXKOCABTLL-VGSWGCGISA-N 1 0 381.520 4.141 20 0 GIADRO CCC(CC)[C@H]1C[C@@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCO1 ZINC000181924713 822037789 /nfs/dbraw/zinc/03/77/89/822037789.db2.gz ZJZFRLNHXILFFP-FCHUYYIVSA-N 1 0 387.568 4.065 20 0 GIADRO C[C@H]([NH2+]CCS(=O)(=O)C(C)(C)C)c1cc2cc(Br)ccc2o1 ZINC000181954834 822044812 /nfs/dbraw/zinc/04/48/12/822044812.db2.gz KAWBDSDOCZJSKI-NSHDSACASA-N 1 0 388.327 4.059 20 0 GIADRO COc1cccc([C@@H]2[C@@H](NC(=O)N(C)[C@H](C)c3cccs3)CC[N@@H+]2C2CC2)c1 ZINC000181988191 822054813 /nfs/dbraw/zinc/05/48/13/822054813.db2.gz INYILYXGIZTJIF-MFMILTCTSA-N 1 0 399.560 4.437 20 0 GIADRO Cc1cc(N2CC[C@@H]([NH2+][C@@H](C)c3cc4c(ccc5ccccc45)o3)C2=O)n(C)n1 ZINC000181997028 822057587 /nfs/dbraw/zinc/05/75/87/822057587.db2.gz RPCIIYQEBSFNGJ-HNAYVOBHSA-N 1 0 388.471 4.084 20 0 GIADRO C[C@H]([NH2+][C@@H](CC(N)=O)C1CCCCC1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000182007492 822060251 /nfs/dbraw/zinc/06/02/51/822060251.db2.gz OWHAAZQJEAYYGV-JTSKRJEESA-N 1 0 393.531 4.095 20 0 GIADRO C[C@H]([NH2+][C@H](CC(N)=O)C1CCCCC1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000182007533 822060487 /nfs/dbraw/zinc/06/04/87/822060487.db2.gz OWHAAZQJEAYYGV-HTAPYJJXSA-N 1 0 393.531 4.095 20 0 GIADRO Cc1cc(C)c(NC(=O)CCC[NH2+][C@@H](C)c2ccc(-n3ccnn3)cc2)c(C)c1 ZINC000182016941 822063561 /nfs/dbraw/zinc/06/35/61/822063561.db2.gz DEFBUSRYLVVPQH-IBGZPJMESA-N 1 0 391.519 4.262 20 0 GIADRO O=C(CC1CCC(C(F)(F)F)CC1)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000182017945 822064068 /nfs/dbraw/zinc/06/40/68/822064068.db2.gz KFWQJXQMEIECES-UHFFFAOYSA-N 1 0 382.470 4.310 20 0 GIADRO CCN(CC)C(=O)c1cccc(N[C@H](C)c2cccc(OCC[NH+](C)C)c2)c1 ZINC000182022267 822065543 /nfs/dbraw/zinc/06/55/43/822065543.db2.gz LEDHKMXXVBWTQG-GOSISDBHSA-N 1 0 383.536 4.282 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(NC(=O)OC(C)(C)C)c1)c1ccc(-n2ccnn2)cc1 ZINC000182037171 822069824 /nfs/dbraw/zinc/06/98/24/822069824.db2.gz QVOKLBBHDLRWQR-MRXNPFEDSA-N 1 0 393.491 4.465 20 0 GIADRO O=C(Nc1ccc(Cl)cc1Br)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000182043990 822071466 /nfs/dbraw/zinc/07/14/66/822071466.db2.gz VHAWLJOPJDOOOF-GFCCVEGCSA-N 1 0 386.721 4.052 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2sc(-c3ccc(F)c(F)c3)nc2C)C1 ZINC000182060553 822077639 /nfs/dbraw/zinc/07/76/39/822077639.db2.gz RXMHIODJIAVVOZ-AWEZNQCLSA-N 1 0 393.503 4.201 20 0 GIADRO CC(=O)Nc1ccc([C@H](C)[NH2+]CC2(N[C@H](C)c3ccccc3)CCOCC2)cc1 ZINC000182090007 822089475 /nfs/dbraw/zinc/08/94/75/822089475.db2.gz OVKRROLSOVDGPP-RBUKOAKNSA-N 1 0 395.547 4.196 20 0 GIADRO CCOc1cccc2cc([C@H](C)[NH2+][C@@H](C)Cn3ncc4ccccc4c3=O)oc21 ZINC000182092291 822090378 /nfs/dbraw/zinc/09/03/78/822090378.db2.gz DBLLBXRYDRJJHP-HOTGVXAUSA-N 1 0 391.471 4.281 20 0 GIADRO CC(=O)Nc1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3ccccc3Cl)C2=O)cc1 ZINC000182097910 822092975 /nfs/dbraw/zinc/09/29/75/822092975.db2.gz SJXJARLFCUIINN-KUHUBIRLSA-N 1 0 385.895 4.145 20 0 GIADRO C[S@@](=O)C[C@@H]([NH2+]Cc1ccc(-n2cnc3ccccc32)cc1)c1ccccc1 ZINC000182100554 822094148 /nfs/dbraw/zinc/09/41/48/822094148.db2.gz OEFIXJXWPWBCBZ-SKCUWOTOSA-N 1 0 389.524 4.235 20 0 GIADRO COC(=O)c1ccc(F)c(C[NH2+][C@@H](C)c2ccc(OC)c(Br)c2)c1 ZINC000182105666 822095786 /nfs/dbraw/zinc/09/57/86/822095786.db2.gz CKUJHAOKSPTSKJ-NSHDSACASA-N 1 0 396.256 4.234 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]Cc2cnn(C)c2C(F)(F)F)cc1Br ZINC000182109315 822097648 /nfs/dbraw/zinc/09/76/48/822097648.db2.gz MIZPWHNCWPHOKG-SECBINFHSA-N 1 0 392.219 4.061 20 0 GIADRO c1ccc([C@H](CN2CCOCC2)[NH2+]Cc2ccccc2Oc2cccnc2)cc1 ZINC000182138044 822112123 /nfs/dbraw/zinc/11/21/23/822112123.db2.gz FJHKWIVSDLNNRK-QHCPKHFHSA-N 1 0 389.499 4.037 20 0 GIADRO C[C@@H](Nc1ccc(OC[C@H]2CCCO2)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000182143378 822115689 /nfs/dbraw/zinc/11/56/89/822115689.db2.gz HABCCOGUMNDEFZ-WZONZLPQSA-N 1 0 384.520 4.358 20 0 GIADRO Clc1ccc(C[NH2+][C@H](CN2CCOCC2)c2ccccc2)c2ncccc12 ZINC000182147504 822117994 /nfs/dbraw/zinc/11/79/94/822117994.db2.gz IYHFFPGYGKHUFM-OAQYLSRUSA-N 1 0 381.907 4.051 20 0 GIADRO CCCC[C@@H]([NH2+]CC(=O)N1CCC[C@@H](C(F)(F)F)C1)c1ccc(OC)cc1 ZINC000182152519 822119649 /nfs/dbraw/zinc/11/96/49/822119649.db2.gz AOWQICNTOCDJFC-SJLPKXTDSA-N 1 0 386.458 4.317 20 0 GIADRO O=C(Nc1ccc(COc2ccccc2)cc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000182157285 822122378 /nfs/dbraw/zinc/12/23/78/822122378.db2.gz UOAFACWAQUFKON-FQEVSTJZSA-N 1 0 379.504 4.215 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cnn(CCC(F)(F)F)c3)cc2)C1 ZINC000182161221 822124512 /nfs/dbraw/zinc/12/45/12/822124512.db2.gz NQHUGFURVWXICH-OAHLLOKOSA-N 1 0 394.441 4.320 20 0 GIADRO CC(C)(C)OC(=O)c1ccccc1NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000182175595 822132962 /nfs/dbraw/zinc/13/29/62/822132962.db2.gz PDXCZJVEAJOWEZ-UZLBHIALSA-N 1 0 399.535 4.123 20 0 GIADRO Cc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000182186864 822137984 /nfs/dbraw/zinc/13/79/84/822137984.db2.gz XPIQPALBRXNHFM-UNMCSNQZSA-N 1 0 378.516 4.032 20 0 GIADRO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCN(C(=O)CCc3ccccc3)C1)CCCO2 ZINC000182186512 822138131 /nfs/dbraw/zinc/13/81/31/822138131.db2.gz HKYOQDOEGLUVCL-RBBKRZOGSA-N 1 0 378.516 4.032 20 0 GIADRO CC([NH2+]CC(=O)N1CCC[C@@H](C(F)(F)F)C1)(c1ccccc1)c1ccccc1 ZINC000182206949 822147321 /nfs/dbraw/zinc/14/73/21/822147321.db2.gz OPZVYDFWIVPEGT-LJQANCHMSA-N 1 0 390.449 4.341 20 0 GIADRO COc1ccc(NC(=O)C[NH2+]C(C)(c2ccccc2)c2ccccc2)cc1OC ZINC000182210363 822148464 /nfs/dbraw/zinc/14/84/64/822148464.db2.gz SBBNEBCEMOOIAC-UHFFFAOYSA-N 1 0 390.483 4.196 20 0 GIADRO CCCCc1ccc([C@H]([NH2+][C@@H]2CCCS(=O)(=O)C2)c2cccs2)cc1 ZINC000182239522 822161943 /nfs/dbraw/zinc/16/19/43/822161943.db2.gz KEDRDNRAGHCEGC-QUCCMNQESA-N 1 0 377.575 4.347 20 0 GIADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)C1 ZINC000182260719 822174638 /nfs/dbraw/zinc/17/46/38/822174638.db2.gz OVVBTAMVGCROGP-KBRIMQKVSA-N 1 0 379.957 4.003 20 0 GIADRO C[C@H]([NH2+]CC(=O)N(C)[C@@H](C)c1cc2ccccc2o1)c1ccc2c(c1)OCO2 ZINC000182296467 822191572 /nfs/dbraw/zinc/19/15/72/822191572.db2.gz GSIDEVVGNLYXRL-GJZGRUSLSA-N 1 0 380.444 4.032 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(C)cc2)c(C(F)(F)F)c1 ZINC000182335357 822205955 /nfs/dbraw/zinc/20/59/55/822205955.db2.gz CDMRROKEIIBZGD-ZDUSSCGKSA-N 1 0 393.409 4.262 20 0 GIADRO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2c(F)cc(F)cc2Br)cc1 ZINC000182335142 822206011 /nfs/dbraw/zinc/20/60/11/822206011.db2.gz VYEWWIZXOPOBIH-NSHDSACASA-N 1 0 383.236 4.325 20 0 GIADRO CCOc1ncccc1CN[C@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000182350751 822210693 /nfs/dbraw/zinc/21/06/93/822210693.db2.gz LXLLBHRYTDDMMU-GOSISDBHSA-N 1 0 383.536 4.326 20 0 GIADRO Cc1cc(C)c(CC(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)c(C)c1 ZINC000182358865 822214365 /nfs/dbraw/zinc/21/43/65/822214365.db2.gz JTSNQAZHPDGFBU-UHFFFAOYSA-N 1 0 379.548 4.323 20 0 GIADRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(OC)c(OC)c2Br)c1 ZINC000182367377 822217251 /nfs/dbraw/zinc/21/72/51/822217251.db2.gz NPAGZLQYUHUUPH-NSHDSACASA-N 1 0 396.281 4.031 20 0 GIADRO COc1ccc([C@H](C)CC(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)cc1 ZINC000182373371 822219485 /nfs/dbraw/zinc/21/94/85/822219485.db2.gz OJKZOJSBVCSSRJ-GOSISDBHSA-N 1 0 395.547 4.358 20 0 GIADRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)c1 ZINC000182375561 822220208 /nfs/dbraw/zinc/22/02/08/822220208.db2.gz NWUVUMADVSLAPP-ULQDDVLXSA-N 1 0 392.499 4.471 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)NCc2nc3ccccc3s2)CC1 ZINC000182397386 822228921 /nfs/dbraw/zinc/22/89/21/822228921.db2.gz UFFOWAIGPHHSNV-UHFFFAOYSA-N 1 0 388.581 4.340 20 0 GIADRO COc1ccc(NC(=O)CC[NH2+][C@H](C)c2ccc(OCC(F)(F)F)cc2)cc1 ZINC000182406691 822232100 /nfs/dbraw/zinc/23/21/00/822232100.db2.gz UAQGRRMDRWWEHT-CQSZACIVSA-N 1 0 396.409 4.316 20 0 GIADRO COc1ccc(O)c([C@@H](C)N[C@H](C)c2nc(Cc3ccc(Cl)cc3)no2)c1 ZINC000182449020 822246300 /nfs/dbraw/zinc/24/63/00/822246300.db2.gz DPPVYWYDXCLDMC-CHWSQXEVSA-N 1 0 387.867 4.440 20 0 GIADRO O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)c1cnn(CCC(F)(F)F)c1 ZINC000182451005 822246783 /nfs/dbraw/zinc/24/67/83/822246783.db2.gz MSOZEDKAOZQOLJ-UHFFFAOYSA-N 1 0 394.441 4.464 20 0 GIADRO CCC(CC)C[NH2+][C@@H](c1ccc(OC)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000182463426 822252984 /nfs/dbraw/zinc/25/29/84/822252984.db2.gz RLQDPTDBWDPWKN-NRFANRHFSA-N 1 0 375.534 4.214 20 0 GIADRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@@H]1CCOc2c(Cl)cccc21 ZINC000177948665 822254300 /nfs/dbraw/zinc/25/43/00/822254300.db2.gz XTIOTABIYSZIAG-SMDDNHRTSA-N 1 0 380.275 4.219 20 0 GIADRO Cc1cnc([C@@H](C)NC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000177952336 822255513 /nfs/dbraw/zinc/25/55/13/822255513.db2.gz URAVMYAWQBTBGM-RDTXWAMCSA-N 1 0 397.466 4.083 20 0 GIADRO COc1ccc(C[C@H](C)[NH2+][C@@H](C)c2nnn(-c3ccc(F)cc3)c2C)cc1OC ZINC000177964511 822260099 /nfs/dbraw/zinc/26/00/99/822260099.db2.gz QUCOUEQCHVQEAB-GJZGRUSLSA-N 1 0 398.482 4.014 20 0 GIADRO COCc1cc([C@H](C)[NH2+]C2CCN(CCc3ccccc3)CC2)ccc1OC ZINC000177969489 822262288 /nfs/dbraw/zinc/26/22/88/822262288.db2.gz YACOTSNMQMXGNK-IBGZPJMESA-N 1 0 382.548 4.199 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@H]2CCSc3c(F)cccc32)ccc1S(C)(=O)=O ZINC000177971733 822263590 /nfs/dbraw/zinc/26/35/90/822263590.db2.gz RPAPJPVSKCUOGI-LRDDRELGSA-N 1 0 395.521 4.126 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(CN2CCCC2=O)c1)c1ccccc1Br ZINC000177992651 822273644 /nfs/dbraw/zinc/27/36/44/822273644.db2.gz IYRSFLVIJAZWPZ-OAHLLOKOSA-N 1 0 387.321 4.422 20 0 GIADRO C[C@H]([NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1)c1ccc(OC(F)(F)F)cc1 ZINC000182510082 822275317 /nfs/dbraw/zinc/27/53/17/822275317.db2.gz IIERJEVDWOOGCS-NSHDSACASA-N 1 0 397.784 4.097 20 0 GIADRO Fc1ccc(F)c(C[N@@H+]2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)c1 ZINC000177997785 822276158 /nfs/dbraw/zinc/27/61/58/822276158.db2.gz BYIXQPDKYXUHAQ-GFCCVEGCSA-N 1 0 396.363 4.406 20 0 GIADRO COCCOc1ccc(C[NH2+][C@H](C)c2cc(Br)ccc2F)cc1 ZINC000178000657 822277302 /nfs/dbraw/zinc/27/73/02/822277302.db2.gz QKSNOQDHXQWMQD-CYBMUJFWSA-N 1 0 382.273 4.464 20 0 GIADRO CC(=O)c1ccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1Cl ZINC000182519191 822279386 /nfs/dbraw/zinc/27/93/86/822279386.db2.gz ZQCLGWJCYOSOLQ-LIRRHRJNSA-N 1 0 375.900 4.023 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccccc2N2CCc3ccccc32)C1 ZINC000178012260 822281963 /nfs/dbraw/zinc/28/19/63/822281963.db2.gz AWEFBWSGBRZCTB-GOSISDBHSA-N 1 0 378.520 4.186 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+]CC(=O)N(Cc2ccco2)c2ccccc2)c1 ZINC000182526907 822283648 /nfs/dbraw/zinc/28/36/48/822283648.db2.gz RZEGOTHPWJPRTD-KRWDZBQOSA-N 1 0 391.471 4.122 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+]CC(=O)N[C@@H](C)c2cccc3ccccc32)c1 ZINC000182527156 822284474 /nfs/dbraw/zinc/28/44/74/822284474.db2.gz CTQDNWFZPZWJQF-IRXDYDNUSA-N 1 0 389.499 4.326 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1)c1ccc2c(c1)OCCCO2 ZINC000178020168 822284892 /nfs/dbraw/zinc/28/48/92/822284892.db2.gz BXDUDVLPOMDDID-JKSUJKDBSA-N 1 0 382.460 4.216 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)C1 ZINC000178021525 822286524 /nfs/dbraw/zinc/28/65/24/822286524.db2.gz PZXZIXYWZVVIJX-HNNXBMFYSA-N 1 0 379.932 4.467 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccccc2N(C)Cc2ccccc2)C1 ZINC000178024644 822287726 /nfs/dbraw/zinc/28/77/26/822287726.db2.gz RMWYPLYSWQIMLM-FQEVSTJZSA-N 1 0 380.536 4.129 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)c1 ZINC000182537514 822289455 /nfs/dbraw/zinc/28/94/55/822289455.db2.gz OZHARURGGOUUCP-HUUCEWRRSA-N 1 0 387.911 4.169 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(OCc3ccccc3)cc2C)C1 ZINC000178036825 822292688 /nfs/dbraw/zinc/29/26/88/822292688.db2.gz AWCZNSPDTZJOMZ-FQEVSTJZSA-N 1 0 381.520 4.380 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(Oc3cccc(C)c3C)nc2)C1 ZINC000178040860 822294792 /nfs/dbraw/zinc/29/47/92/822294792.db2.gz GTIXQEUVHSXPQL-GOSISDBHSA-N 1 0 382.508 4.296 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CC(=O)N[C@H](c2cccs2)C(C)(C)C)c1 ZINC000182546119 822295162 /nfs/dbraw/zinc/29/51/62/822295162.db2.gz ZTIKQHIMQWKOKE-JLTOFOAXSA-N 1 0 387.549 4.261 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+]CC(=O)N[C@@H](CC(C)C)c2ccccc2)c1 ZINC000182552577 822298310 /nfs/dbraw/zinc/29/83/10/822298310.db2.gz QTYURTGMTGSYPR-JTSKRJEESA-N 1 0 381.520 4.199 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(SC(F)F)cc2)c1 ZINC000182555430 822299611 /nfs/dbraw/zinc/29/96/11/822299611.db2.gz DUFKLSYLHPWWCP-GFCCVEGCSA-N 1 0 393.459 4.249 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000182555475 822299835 /nfs/dbraw/zinc/29/98/35/822299835.db2.gz XZYTXQWZTGSBSF-LLVKDONJSA-N 1 0 380.275 4.241 20 0 GIADRO Cc1ccc(-c2cc(C[N@@H+]3CCC[C@@H](CNC(=O)c4ccccc4)C3)on2)cc1 ZINC000178051012 822300643 /nfs/dbraw/zinc/30/06/43/822300643.db2.gz HCSLHSZCVUYPSM-IBGZPJMESA-N 1 0 389.499 4.292 20 0 GIADRO COc1ccccc1-c1ccc([C@H](C)[NH2+]Cc2cccnc2-n2cncn2)cc1 ZINC000178050964 822300752 /nfs/dbraw/zinc/30/07/52/822300752.db2.gz LGDHCRWRLWDBMO-KRWDZBQOSA-N 1 0 385.471 4.189 20 0 GIADRO CCN(CC)C(=O)CCC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000182567378 822306714 /nfs/dbraw/zinc/30/67/14/822306714.db2.gz YNDUAWDNMIWNQB-INIZCTEOSA-N 1 0 393.959 4.028 20 0 GIADRO C[C@H](c1ccc(F)c(F)c1)[NH+]1CCC(OCCCNC(=O)OC(C)(C)C)CC1 ZINC000178066337 822307341 /nfs/dbraw/zinc/30/73/41/822307341.db2.gz RZPGKHNGLQNOBZ-OAHLLOKOSA-N 1 0 398.494 4.422 20 0 GIADRO CC(C)(C)OC(=O)NCCCOC1CC[NH+]([C@H]2CCc3ccc(F)cc32)CC1 ZINC000178066593 822307431 /nfs/dbraw/zinc/30/74/31/822307431.db2.gz UFUVKKKYWJVDKL-FQEVSTJZSA-N 1 0 392.515 4.209 20 0 GIADRO Cc1cccc([C@H](O)CNC(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)c1 ZINC000178066633 822307445 /nfs/dbraw/zinc/30/74/45/822307445.db2.gz SUBPXMGRIDXOGM-XMMPIXPASA-N 1 0 388.511 4.090 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)Nc1ccc(-c2ncco2)cc1 ZINC000182570681 822307404 /nfs/dbraw/zinc/30/74/04/822307404.db2.gz ARZXRLKJEVBFIV-GOSISDBHSA-N 1 0 390.487 4.470 20 0 GIADRO CCCN(C(=O)[C@@H](C)c1c(C)n[nH]c1C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000182574741 822308401 /nfs/dbraw/zinc/30/84/01/822308401.db2.gz KRENOOLOQDTSGC-LAUBAEHRSA-N 1 0 382.552 4.033 20 0 GIADRO CCN(CC)C(=O)CCC1CC[NH+]([C@@H](C)c2nnc(-c3ccccc3)o2)CC1 ZINC000182576871 822309409 /nfs/dbraw/zinc/30/94/09/822309409.db2.gz ZOYCSLUAURTEAI-KRWDZBQOSA-N 1 0 384.524 4.158 20 0 GIADRO CCN(CC)C(=O)CCC1CC[NH+]([C@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000182577010 822309988 /nfs/dbraw/zinc/30/99/88/822309988.db2.gz UYNUDQFKGBNZBE-QGZVFWFLSA-N 1 0 384.524 4.158 20 0 GIADRO COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCc3c2cccc3Cl)c(OC)c1 ZINC000178090844 822315476 /nfs/dbraw/zinc/31/54/76/822315476.db2.gz RAJUFSUHRQSUPT-ACJLOTCBSA-N 1 0 388.895 4.351 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@H]2CCc3c2cccc3Cl)ccc1S(C)(=O)=O ZINC000178091818 822315687 /nfs/dbraw/zinc/31/56/87/822315687.db2.gz PFHWJOPNDFYNBC-SJCJKPOMSA-N 1 0 379.909 4.090 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+][C@H](C)C(=O)NC1CCCC1 ZINC000178098332 822318728 /nfs/dbraw/zinc/31/87/28/822318728.db2.gz BPRBEJCWBJVWSK-TZMCWYRMSA-N 1 0 375.513 4.356 20 0 GIADRO Cc1c([C@@H](C)[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)cnn1-c1ccc(F)cc1 ZINC000178105131 822321633 /nfs/dbraw/zinc/32/16/33/822321633.db2.gz MEOTXIRXQDXKCW-RHFKOARHSA-N 1 0 385.508 4.469 20 0 GIADRO Cc1ccc([C@H](CNC(=O)Nc2ccc(-c3ncco3)cc2)[NH+]2CCCC2)o1 ZINC000182614591 822323709 /nfs/dbraw/zinc/32/37/09/822323709.db2.gz YKLQHNKRIVJWAH-SFHVURJKSA-N 1 0 380.448 4.202 20 0 GIADRO O=C1Nc2ccccc2C12CCC([NH2+][C@H](c1ccccc1)[C@@H]1CCCO1)CC2 ZINC000178124857 822326628 /nfs/dbraw/zinc/32/66/28/822326628.db2.gz QQKJMWSRIMMJJG-JSXGBRPTSA-N 1 0 376.500 4.329 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(N2CCCC2=O)cc1)c1cc2ccccc2o1 ZINC000182627260 822328712 /nfs/dbraw/zinc/32/87/12/822328712.db2.gz HIVWMABZZQRYSE-CVEARBPZSA-N 1 0 391.471 4.237 20 0 GIADRO CC(C)Oc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000178142750 822331271 /nfs/dbraw/zinc/33/12/71/822331271.db2.gz GQFXPXGPSGUBNL-JKSUJKDBSA-N 1 0 376.522 4.257 20 0 GIADRO COc1cc2c(cc1OC)[C@@H](c1cccs1)[N@H+](Cc1ccc(CO)cc1)CC2 ZINC000182634316 822332543 /nfs/dbraw/zinc/33/25/43/822332543.db2.gz WUVZNEJIZBFDDF-QHCPKHFHSA-N 1 0 395.524 4.405 20 0 GIADRO C[C@H](Nc1ccc(N2CC[NH+](C)CC2)cc1)c1nc2ccc(Cl)cc2n1C ZINC000182634892 822332686 /nfs/dbraw/zinc/33/26/86/822332686.db2.gz MNTNQBJUQSGEKO-HNNXBMFYSA-N 1 0 383.927 4.152 20 0 GIADRO CCOc1ccc([C@H](C)NC(=O)C[NH2+][C@@H](C)c2cc3ccccc3o2)cc1OC ZINC000182636566 822333028 /nfs/dbraw/zinc/33/30/28/822333028.db2.gz YMKRDZSIYQKPIS-HOTGVXAUSA-N 1 0 396.487 4.368 20 0 GIADRO C[C@H](NC(=O)NCc1csc(-c2ccccc2)n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182642994 822335394 /nfs/dbraw/zinc/33/53/94/822335394.db2.gz SZSWTHYXNIURIG-WMZOPIPTSA-N 1 0 398.576 4.262 20 0 GIADRO CC(C)OCCOCc1cccc(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC000178164726 822338105 /nfs/dbraw/zinc/33/81/05/822338105.db2.gz VAOJSSTWWDNFCU-FQEVSTJZSA-N 1 0 388.552 4.221 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1cc(Br)ccc1F)c1ccc(NC(N)=O)cc1 ZINC000178166847 822338586 /nfs/dbraw/zinc/33/85/86/822338586.db2.gz CXHLFSAQSAQOIQ-QWRGUYRKSA-N 1 0 380.261 4.491 20 0 GIADRO C[C@H]([NH2+]CCNC(=O)c1ccccc1Cl)c1ccc(F)cc1OC(F)F ZINC000178172605 822341109 /nfs/dbraw/zinc/34/11/09/822341109.db2.gz JJXZUGDBWUGURD-NSHDSACASA-N 1 0 386.801 4.161 20 0 GIADRO C[C@@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)c1cc(Br)ccc1F ZINC000178183152 822345613 /nfs/dbraw/zinc/34/56/13/822345613.db2.gz GJZMMXPQIBYPGE-GHMZBOCLSA-N 1 0 383.227 4.123 20 0 GIADRO C[C@H]([NH2+]C[C@@H](c1ccccc1Cl)N(C)C)c1ccc(N2CCOC2=O)cc1 ZINC000178187975 822346633 /nfs/dbraw/zinc/34/66/33/822346633.db2.gz UBOGOBCIXVBTRI-YWZLYKJASA-N 1 0 387.911 4.250 20 0 GIADRO COc1ccc(O)c(C[NH2+]Cc2ccc(Br)cc2C(F)(F)F)c1 ZINC000182672463 822346746 /nfs/dbraw/zinc/34/67/46/822346746.db2.gz LRNIZXSNBVWZBD-UHFFFAOYSA-N 1 0 390.199 4.472 20 0 GIADRO O=C(CC[NH+]1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1)c1ccccc1 ZINC000182673402 822347237 /nfs/dbraw/zinc/34/72/37/822347237.db2.gz PVXCKJGPHWTQLK-UHFFFAOYSA-N 1 0 390.527 4.163 20 0 GIADRO Cc1ccc(O[C@@H](C)C(=O)Nc2ccc([C@H](C)[NH3+])cc2)c(Br)c1 ZINC000178197189 822349529 /nfs/dbraw/zinc/34/95/29/822349529.db2.gz RNIXEYYXNHACNI-STQMWFEESA-N 1 0 377.282 4.183 20 0 GIADRO C[C@@H](c1ccccn1)N(C)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000178199747 822350263 /nfs/dbraw/zinc/35/02/63/822350263.db2.gz DDMOUJMYUSDNJG-SFHVURJKSA-N 1 0 382.508 4.171 20 0 GIADRO COc1cc([C@@H](C)[NH2+]CC(=O)Nc2ccc(F)c(F)c2F)ccc1SC ZINC000178202923 822351452 /nfs/dbraw/zinc/35/14/52/822351452.db2.gz MMZIIIJUBMRAKH-SNVBAGLBSA-N 1 0 384.423 4.124 20 0 GIADRO C[C@H]([NH3+])c1ccc(NC(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)cc1 ZINC000178210404 822353413 /nfs/dbraw/zinc/35/34/13/822353413.db2.gz VVDPNOCFRYLEEF-LBPRGKRZSA-N 1 0 391.393 4.104 20 0 GIADRO COCCOc1ccc([C@H](C)[NH2+]C2CCN(c3ccccc3OC)CC2)cc1 ZINC000178229865 822356586 /nfs/dbraw/zinc/35/65/86/822356586.db2.gz SZCVKNQZUWDKNK-SFHVURJKSA-N 1 0 384.520 4.040 20 0 GIADRO Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C2CCN(Cc3ccncc3)CC2)c1 ZINC000178231063 822356713 /nfs/dbraw/zinc/35/67/13/822356713.db2.gz AYXHUEWWTHATPJ-INIZCTEOSA-N 1 0 375.463 4.307 20 0 GIADRO C[C@H]([NH2+]C1CCN(Cc2ccncc2)CC1)c1ccc(F)cc1Br ZINC000178231770 822356898 /nfs/dbraw/zinc/35/68/98/822356898.db2.gz CMKVVJDSTJHICS-AWEZNQCLSA-N 1 0 392.316 4.298 20 0 GIADRO Cc1ccc(OC(F)F)c(CNC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000182722832 822357818 /nfs/dbraw/zinc/35/78/18/822357818.db2.gz OTSARKKGJPUPDX-CVEARBPZSA-N 1 0 395.494 4.049 20 0 GIADRO Cc1cc(N2CCCC2)ccc1NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000045029375 822358198 /nfs/dbraw/zinc/35/81/98/822358198.db2.gz SHYDNPVHKIIYEW-UHFFFAOYSA-N 1 0 392.547 4.381 20 0 GIADRO C[C@H](OCCCNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000045029159 822358246 /nfs/dbraw/zinc/35/82/46/822358246.db2.gz FSUHIJKSPTZJCP-FQEVSTJZSA-N 1 0 395.547 4.118 20 0 GIADRO CCc1ccc(C[C@H](Cc2ccc(Cl)cc2)[NH2+]CCc2cnc(C)cn2)nc1 ZINC000453408198 822358653 /nfs/dbraw/zinc/35/86/53/822358653.db2.gz SMWCNOBWHQKIKF-QHCPKHFHSA-N 1 0 394.950 4.382 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1OCC ZINC000178254466 822359100 /nfs/dbraw/zinc/35/91/00/822359100.db2.gz OSRSYLJHMMSVKS-HZPDHXFCSA-N 1 0 391.533 4.299 20 0 GIADRO CCOc1ccc([C@H](CC)[NH2+][C@@H]2CCO[C@@H](c3nccn3C)C2)cc1OCC ZINC000453412201 822359284 /nfs/dbraw/zinc/35/92/84/822359284.db2.gz XVXJPGPJEZLRLC-LVCYWYKZSA-N 1 0 387.524 4.179 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)cc1OCC ZINC000178256341 822359661 /nfs/dbraw/zinc/35/96/61/822359661.db2.gz CNGZZGGNCMFKCN-SJORKVTESA-N 1 0 380.492 4.477 20 0 GIADRO O=C1[C@H]([NH2+][C@@H]2CCCc3nc(-c4ccccc4F)sc32)C[C@@H]2CCCCN12 ZINC000453414616 822359687 /nfs/dbraw/zinc/35/96/87/822359687.db2.gz BJTYXQNAQUVBSE-FDQGKXFDSA-N 1 0 385.508 4.070 20 0 GIADRO Brc1ccc([C@H]([NH2+]CCOCC2CCCC2)c2cncnc2)cc1 ZINC000453415557 822359814 /nfs/dbraw/zinc/35/98/14/822359814.db2.gz ZBCYWGUSKBHPFR-IBGZPJMESA-N 1 0 390.325 4.125 20 0 GIADRO C[C@H]1C[NH+](CCC2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)C[C@H](C)O1 ZINC000178258536 822359998 /nfs/dbraw/zinc/35/99/98/822359998.db2.gz UZDNLKUUWWUIJZ-HOTGVXAUSA-N 1 0 398.469 4.057 20 0 GIADRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccnc1C)c1cccc(Br)c1 ZINC000453423379 822360849 /nfs/dbraw/zinc/36/08/49/822360849.db2.gz GBLNTBOLORKZAW-XJKSGUPXSA-N 1 0 376.298 4.220 20 0 GIADRO Cc1ccc(C[C@@H](CO)[NH2+][C@H](C)c2ccc(NC(=O)NC(C)C)cc2)cc1C ZINC000453425321 822361181 /nfs/dbraw/zinc/36/11/81/822361181.db2.gz GQGMRNGPJCPBHM-GCJKJVERSA-N 1 0 383.536 4.088 20 0 GIADRO CC[C@H]([NH2+][C@H](c1ccc(Br)cc1C(F)(F)F)C1CC1)C(=O)NC ZINC000453425437 822361208 /nfs/dbraw/zinc/36/12/08/822361208.db2.gz YQVZAMSLKFQCKR-KBPBESRZSA-N 1 0 393.247 4.033 20 0 GIADRO CC(C)c1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)CCCO2 ZINC000178277313 822362349 /nfs/dbraw/zinc/36/23/49/822362349.db2.gz ZMQJEEIZMBEUTE-OAQYLSRUSA-N 1 0 387.545 4.358 20 0 GIADRO COc1cc(OC)c(NC(=O)C[NH2+][C@H](C)c2cc(C)sc2C)cc1Cl ZINC000182752159 822362299 /nfs/dbraw/zinc/36/22/99/822362299.db2.gz OVYHSAAHINVRCC-LLVKDONJSA-N 1 0 382.913 4.325 20 0 GIADRO COc1cc(C[NH2+][C@H](C)c2ccc(OC(F)(F)F)cc2)cc(OC)c1OC ZINC000045098334 822362536 /nfs/dbraw/zinc/36/25/36/822362536.db2.gz IITZIELCIKUWMQ-GFCCVEGCSA-N 1 0 385.382 4.462 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)N[C@H](C)c2ccc(OC)c(F)c2)c1 ZINC000045103212 822363248 /nfs/dbraw/zinc/36/32/48/822363248.db2.gz ORCKRMYRCWEUNK-MRXNPFEDSA-N 1 0 387.499 4.237 20 0 GIADRO C[C@H]([NH2+]Cc1nnc2n1CCCCC2)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000178285420 822363347 /nfs/dbraw/zinc/36/33/47/822363347.db2.gz FWFHVZQFUKPYAZ-STQMWFEESA-N 1 0 383.323 4.257 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCC1)N[C@H]1CCSc2ccccc21 ZINC000045115958 822363644 /nfs/dbraw/zinc/36/36/44/822363644.db2.gz LQXUTXHYSHWJDG-FQEVSTJZSA-N 1 0 381.545 4.319 20 0 GIADRO CC1(C)C[C@H](C[NH2+][C@H](c2ccc(Br)cc2)c2cncnc2)CCO1 ZINC000453444243 822363928 /nfs/dbraw/zinc/36/39/28/822363928.db2.gz XUIQKEWXHODMQM-RDTXWAMCSA-N 1 0 390.325 4.123 20 0 GIADRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]Cc1ccc(Oc2ccccc2)nc1 ZINC000178297940 822364828 /nfs/dbraw/zinc/36/48/28/822364828.db2.gz WUYVYIZWOFHCHL-HNNXBMFYSA-N 1 0 396.878 4.429 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(Oc2ccccc2)nc1)c1ccc(S(C)(=O)=O)cc1 ZINC000178301578 822364956 /nfs/dbraw/zinc/36/49/56/822364956.db2.gz CZJAKLCIFFASOB-MRXNPFEDSA-N 1 0 382.485 4.128 20 0 GIADRO C[C@H](c1cccc(Br)c1)[NH+]1CCC(CC(=O)N2CCCC2)CC1 ZINC000178302836 822365238 /nfs/dbraw/zinc/36/52/38/822365238.db2.gz UGBJCWSEBWEWEH-OAHLLOKOSA-N 1 0 379.342 4.235 20 0 GIADRO CCC[C@H]1CN(c2nnc([C@@H]3CCCCO3)n2CC)CC[N@@H+]1Cc1ccccc1 ZINC000453452591 822365980 /nfs/dbraw/zinc/36/59/80/822365980.db2.gz PYJXWRNWUYKYEV-SFTDATJTSA-N 1 0 397.567 4.031 20 0 GIADRO O=C1[C@H]([NH2+][C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)C[C@H]2CCCCN12 ZINC000453459401 822368184 /nfs/dbraw/zinc/36/81/84/822368184.db2.gz WJXOZLWYTXLCPU-JFIYKMOQSA-N 1 0 385.508 4.070 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)N1CC[C@H]1c1ccccc1 ZINC000045182235 822368243 /nfs/dbraw/zinc/36/82/43/822368243.db2.gz XLOWMJHRLDZSAQ-NRFANRHFSA-N 1 0 383.923 4.461 20 0 GIADRO Cc1cc([C@H]2CCCN2C(=O)NCc2ccccc2C[NH+]2CCCCC2)on1 ZINC000045193094 822369440 /nfs/dbraw/zinc/36/94/40/822369440.db2.gz BFVSMCKYWGRQMP-HXUWFJFHSA-N 1 0 382.508 4.016 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCCC1)N1CCC[C@H]1c1ccncc1 ZINC000045192965 822369544 /nfs/dbraw/zinc/36/95/44/822369544.db2.gz XKIIOOILJDXPMV-QFIPXVFZSA-N 1 0 378.520 4.114 20 0 GIADRO CCn1c([C@@H]2CC[C@H](C)O2)nnc1N1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000453469937 822371573 /nfs/dbraw/zinc/37/15/73/822371573.db2.gz WPVFQKABMLHBMP-ICSRJNTNSA-N 1 0 391.604 4.122 20 0 GIADRO CCCCOc1ccc(C(=O)N(C)C2CC[NH+](C)CC2)cc1OCCCC ZINC000045263770 822374434 /nfs/dbraw/zinc/37/44/34/822374434.db2.gz IHZKAGCNGXMSBY-UHFFFAOYSA-N 1 0 376.541 4.211 20 0 GIADRO COCCC[C@@H]([NH2+]Cc1ccc(OC)c(O)c1)c1ccc(Br)cc1 ZINC000178409202 822376485 /nfs/dbraw/zinc/37/64/85/822376485.db2.gz ODFRVKGAIIAALI-QGZVFWFLSA-N 1 0 394.309 4.421 20 0 GIADRO CC(C)c1c(C(=O)NCc2ccccc2C[NH+](C)C)cnn1-c1ccc(F)cc1 ZINC000045294987 822376894 /nfs/dbraw/zinc/37/68/94/822376894.db2.gz RDPJCBCCPPECBX-UHFFFAOYSA-N 1 0 394.494 4.126 20 0 GIADRO C[C@H](NC(=O)N1CCC(OCC2CCCC2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182843227 822377036 /nfs/dbraw/zinc/37/70/36/822377036.db2.gz VQRNCXVEBVUROJ-AZUAARDMSA-N 1 0 391.600 4.020 20 0 GIADRO C[C@@H](NC(=O)Nc1ccc2oc(C3CC3)nc2c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182855421 822379730 /nfs/dbraw/zinc/37/97/30/822379730.db2.gz CBVAEHIWYHSPRZ-ZBFHGGJFSA-N 1 0 382.508 4.480 20 0 GIADRO C[C@@H](NC(=O)N(Cc1ccc(F)cc1)CC1CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182863036 822381456 /nfs/dbraw/zinc/38/14/56/822381456.db2.gz WBTLIAPGLQFAQD-YLJYHZDGSA-N 1 0 387.543 4.400 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCCc2nc(-c3ccccc3F)sc21)C(=O)N1CCCCC1 ZINC000178464548 822381726 /nfs/dbraw/zinc/38/17/26/822381726.db2.gz FTNALJHZBYUWEE-RHSMWYFYSA-N 1 0 387.524 4.317 20 0 GIADRO CC(=O)Nc1ccc(Cl)c(NC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000182866158 822381913 /nfs/dbraw/zinc/38/19/13/822381913.db2.gz SJQYHHUWOZBELX-UKRRQHHQSA-N 1 0 392.931 4.073 20 0 GIADRO C[C@H](NC(=O)Nc1ccccc1OC(F)(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182867001 822382134 /nfs/dbraw/zinc/38/21/34/822382134.db2.gz VRZKBQSKIPDNJZ-KBPBESRZSA-N 1 0 385.430 4.360 20 0 GIADRO CCCC[N@H+](C)CC1CCN(c2nnc([C@@H]3CC[C@H](C)O3)n2CC(C)C)CC1 ZINC000453520414 822382394 /nfs/dbraw/zinc/38/23/94/822382394.db2.gz PNQOXBVAWUAPAZ-ICSRJNTNSA-N 1 0 391.604 4.122 20 0 GIADRO C[C@@H](CN1CCCC1=O)[NH2+][C@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21 ZINC000178496330 822385253 /nfs/dbraw/zinc/38/52/53/822385253.db2.gz MAHOBULQGSXGHJ-BBRMVZONSA-N 1 0 389.952 4.441 20 0 GIADRO C[C@@H](NC(=O)N(C)Cc1ccc(Cl)c(F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182882461 822385464 /nfs/dbraw/zinc/38/54/64/822385464.db2.gz HDYJTJPXDOFNSO-GDBMZVCRSA-N 1 0 381.923 4.274 20 0 GIADRO Cn1cc(C[NH+]2CCC3(CC2)OCCc2ccccc23)c(-c2cccs2)n1 ZINC000453571973 822386255 /nfs/dbraw/zinc/38/62/55/822386255.db2.gz DLUPNAXDALQCOE-UHFFFAOYSA-N 1 0 379.529 4.213 20 0 GIADRO c1ccc2c(c1)CCOC21CC[NH+](Cc2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000453575431 822386857 /nfs/dbraw/zinc/38/68/57/822386857.db2.gz NODKGLVJUFOGLP-QHCPKHFHSA-N 1 0 393.527 4.308 20 0 GIADRO CSc1cc2c(cc1C[NH2+][C@@H](c1cccs1)C(C)(C)CO)OCCO2 ZINC000453576777 822387101 /nfs/dbraw/zinc/38/71/01/822387101.db2.gz NIYJOWBUHIRHCZ-SFHVURJKSA-N 1 0 379.547 4.091 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)CCCCc1nc2ccccc2s1)c1ccsc1 ZINC000045443945 822387769 /nfs/dbraw/zinc/38/77/69/822387769.db2.gz KZPOOPCFRSDPQC-QGZVFWFLSA-N 1 0 387.574 4.490 20 0 GIADRO C[C@H]([NH2+]CCCc1nnc2n1CCCCC2)c1ccc(Br)s1 ZINC000178525170 822387883 /nfs/dbraw/zinc/38/78/83/822387883.db2.gz CGGCGMHDAXPKOX-LBPRGKRZSA-N 1 0 383.359 4.112 20 0 GIADRO C[C@@H](NC(=O)N(CCC(F)(F)F)CC1CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182896520 822388090 /nfs/dbraw/zinc/38/80/90/822388090.db2.gz VEXZBABMFZMDPB-ZBFHGGJFSA-N 1 0 375.479 4.013 20 0 GIADRO C[C@@H](NC(=O)N1CCc2ccc(Cl)cc2C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182897213 822388242 /nfs/dbraw/zinc/38/82/42/822388242.db2.gz MLFNKSQAPMAPFT-NVXWUHKLSA-N 1 0 375.944 4.061 20 0 GIADRO CC(C)C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)c1ccccc1 ZINC000453583119 822388380 /nfs/dbraw/zinc/38/83/80/822388380.db2.gz MZNJQYIEIRDORM-FCHUYYIVSA-N 1 0 393.531 4.078 20 0 GIADRO COc1ccc2cc(CN(C)C(=O)NC3CC[NH+](CC(C)C)CC3)ccc2c1 ZINC000045462688 822388778 /nfs/dbraw/zinc/38/87/78/822388778.db2.gz NQNCQDYMGSABCY-UHFFFAOYSA-N 1 0 383.536 4.110 20 0 GIADRO C[C@@H](NC1(C[NH2+][C@H](C)c2ccc3c(c2)CCO3)CCOCC1)c1ccccc1 ZINC000178534663 822389019 /nfs/dbraw/zinc/38/90/19/822389019.db2.gz QHKGHKARVMHHNI-RTBURBONSA-N 1 0 380.532 4.172 20 0 GIADRO C[C@H](NC(=O)N(C)Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182905208 822389982 /nfs/dbraw/zinc/38/99/82/822389982.db2.gz ANFUFUVNRQWARI-DOTOQJQBSA-N 1 0 397.485 4.500 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2ccc(C(F)(F)F)nc2Cl)C1 ZINC000178544077 822390153 /nfs/dbraw/zinc/39/01/53/822390153.db2.gz FBVHUOWOOLFZCL-BETUJISGSA-N 1 0 391.865 4.242 20 0 GIADRO C[C@@H](NC(=O)N1CC=C(c2ccc(F)cc2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182911003 822391389 /nfs/dbraw/zinc/39/13/89/822391389.db2.gz DENWLTNJRUVUPL-XLIONFOSSA-N 1 0 385.527 4.277 20 0 GIADRO COc1ccc(CC[NH2+][C@H]2CCSc3c(F)cccc32)c(OC)c1OC ZINC000178556612 822391734 /nfs/dbraw/zinc/39/17/34/822391734.db2.gz KBFYGHYEWPSMLN-INIZCTEOSA-N 1 0 377.481 4.221 20 0 GIADRO OCc1ccc(C[NH2+][C@@H]2CCCOc3c(Br)cccc32)cc1F ZINC000178562791 822392054 /nfs/dbraw/zinc/39/20/54/822392054.db2.gz QKYHMCPRRDIZLE-QGZVFWFLSA-N 1 0 380.257 4.084 20 0 GIADRO Brc1ccc(CNc2ccc3c[nH+]ccc3c2)c(N2CCOCC2)c1 ZINC000453609292 822392339 /nfs/dbraw/zinc/39/23/39/822392339.db2.gz FPWFTYHCXAIEJQ-UHFFFAOYSA-N 1 0 398.304 4.446 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCCc4ccccc43)c(C)c2)CC1 ZINC000045528443 822393590 /nfs/dbraw/zinc/39/35/90/822393590.db2.gz CLGBXJIXNXMSHL-QFIPXVFZSA-N 1 0 377.532 4.196 20 0 GIADRO COc1cc(C[NH2+][C@H](c2ccccc2)C2(CO)CCCC2)cc(OC)c1OC ZINC000453621158 822394621 /nfs/dbraw/zinc/39/46/21/822394621.db2.gz UDXOKPBMJANOPQ-JOCHJYFZSA-N 1 0 385.504 4.096 20 0 GIADRO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000453621150 822394665 /nfs/dbraw/zinc/39/46/65/822394665.db2.gz UBFGTFDPRMGJMG-VBKZILBWSA-N 1 0 399.922 4.047 20 0 GIADRO Cc1ncc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c(C(C)C)n1 ZINC000178600389 822395355 /nfs/dbraw/zinc/39/53/55/822395355.db2.gz IOOFHDOVFOYLAA-IRLDBZIGSA-N 1 0 392.547 4.035 20 0 GIADRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(C(F)(F)F)cc1)c1ccc2ccccc2n1 ZINC000178609426 822395944 /nfs/dbraw/zinc/39/59/44/822395944.db2.gz GPQCEQHBPIMSPK-PBHICJAKSA-N 1 0 390.405 4.344 20 0 GIADRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+]Cc3ccc(F)cc3Cl)cc2)C[C@H](C)O1 ZINC000178619030 822396777 /nfs/dbraw/zinc/39/67/77/822396777.db2.gz IWLLZSUTBRNCDW-GASCZTMLSA-N 1 0 390.886 4.018 20 0 GIADRO Cc1ccccc1OCCCN(C)C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182941338 822397056 /nfs/dbraw/zinc/39/70/56/822397056.db2.gz MDYFFBLMLWHFOC-WOJBJXKFSA-N 1 0 387.568 4.058 20 0 GIADRO COc1ccc(CN(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)C2CC2)cc1 ZINC000182952141 822398884 /nfs/dbraw/zinc/39/88/84/822398884.db2.gz IQQFGTFYMPGKII-MJGOQNOKSA-N 1 0 385.552 4.022 20 0 GIADRO Cc1c([C@@H](C)[NH2+]C[C@H](CCO)c2ccccc2)nnn1-c1ccc(Cl)cc1 ZINC000178651350 822399543 /nfs/dbraw/zinc/39/95/43/822399543.db2.gz SBKTVLQXQDDWKW-QAPCUYQASA-N 1 0 384.911 4.046 20 0 GIADRO OCC[C@@H](C[NH2+][C@H]1CCCOc2cc(Br)ccc21)c1ccccc1 ZINC000178653615 822399824 /nfs/dbraw/zinc/39/98/24/822399824.db2.gz XFBPKJMKPWRXHP-LPHOPBHVSA-N 1 0 390.321 4.419 20 0 GIADRO C[C@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1ccc(I)cc1 ZINC000178654394 822399998 /nfs/dbraw/zinc/39/99/98/822399998.db2.gz BFCOFLYOPJWZLW-WMLDXEAASA-N 1 0 395.284 4.108 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]C[C@@H](O)COCc1ccccc1 ZINC000178654313 822400032 /nfs/dbraw/zinc/40/00/32/822400032.db2.gz MKCBNKUOWWGPRI-OXQOHEQNSA-N 1 0 382.529 4.347 20 0 GIADRO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3cc4ccccc4c(Cl)n3)C2)CC1 ZINC000178665873 822401059 /nfs/dbraw/zinc/40/10/59/822401059.db2.gz MPOIWQYYHATDBQ-QGZVFWFLSA-N 1 0 385.939 4.472 20 0 GIADRO Cc1ccc(Cl)c(O[C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000045676563 822404590 /nfs/dbraw/zinc/40/45/90/822404590.db2.gz LPWGPRLCYYABJL-KRWDZBQOSA-N 1 0 386.923 4.197 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(Br)s2)cc1NC(C)=O ZINC000178713712 822405084 /nfs/dbraw/zinc/40/50/84/822405084.db2.gz ZGCMWCPINOISRF-SNVBAGLBSA-N 1 0 383.311 4.328 20 0 GIADRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(C(=O)N3CCCC3)cc2)c(OC)c1 ZINC000045681485 822405258 /nfs/dbraw/zinc/40/52/58/822405258.db2.gz SEIXZQQJSDHMBP-QFIPXVFZSA-N 1 0 394.515 4.277 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+](C)Cc1ccc(C)cc1 ZINC000045697154 822406125 /nfs/dbraw/zinc/40/61/25/822406125.db2.gz AFDIDBBPVKEXBG-UHFFFAOYSA-N 1 0 376.504 4.258 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc(F)c2)cnn1-c1ccc(F)cc1 ZINC000182994980 822407591 /nfs/dbraw/zinc/40/75/91/822407591.db2.gz ILXNNHYWXZRQOM-KBPBESRZSA-N 1 0 384.430 4.137 20 0 GIADRO Cc1cc(C)c(CCNC(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)c(C)c1 ZINC000178774900 822408630 /nfs/dbraw/zinc/40/86/30/822408630.db2.gz ABRITQHTQKHXTM-FQEVSTJZSA-N 1 0 394.563 4.074 20 0 GIADRO CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)[N@H+](C)C[C@@H]3CCOC3)ccc21 ZINC000178781420 822409425 /nfs/dbraw/zinc/40/94/25/822409425.db2.gz DHQTYZXWZSLBIP-SJORKVTESA-N 1 0 379.504 4.110 20 0 GIADRO CC(C)Oc1ccc([C@@H](C)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)cc1 ZINC000183004306 822409427 /nfs/dbraw/zinc/40/94/27/822409427.db2.gz XBVKTPNREFZXDQ-VGOFRKELSA-N 1 0 381.520 4.097 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)N2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)c1 ZINC000178795662 822410774 /nfs/dbraw/zinc/41/07/74/822410774.db2.gz INNUKNZFQWKRLM-LEWJYISDSA-N 1 0 385.483 4.007 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)N2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)c1 ZINC000178795625 822410803 /nfs/dbraw/zinc/41/08/03/822410803.db2.gz INNUKNZFQWKRLM-RTWAWAEBSA-N 1 0 385.483 4.007 20 0 GIADRO C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)N1CC[NH+](C2CCCC2)CC1 ZINC000045767666 822411392 /nfs/dbraw/zinc/41/13/92/822411392.db2.gz PVYGIABBZMPMPZ-LSDHHAIUSA-N 1 0 398.378 4.119 20 0 GIADRO CN(c1ccccc1CNc1ccc(OC(F)F)cc1)C1CC[NH+](C)CC1 ZINC000178800523 822411462 /nfs/dbraw/zinc/41/14/62/822411462.db2.gz BXSOTXFILKOUNA-UHFFFAOYSA-N 1 0 375.463 4.431 20 0 GIADRO C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)N1CC[NH+](C2CCCC2)CC1 ZINC000045769171 822411740 /nfs/dbraw/zinc/41/17/40/822411740.db2.gz MTQFJVBVUQYBSY-HXUWFJFHSA-N 1 0 391.559 4.165 20 0 GIADRO C[C@@H]([NH3+])C1CCN(C(=O)c2ccc(COc3ccc4ccccc4c3)o2)CC1 ZINC000178809098 822412606 /nfs/dbraw/zinc/41/26/06/822412606.db2.gz CQSUMIQUUALWLU-MRXNPFEDSA-N 1 0 378.472 4.211 20 0 GIADRO COc1ccccc1CN(C)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000045778242 822412554 /nfs/dbraw/zinc/41/25/54/822412554.db2.gz CSKSHADXWAQXDI-IBGZPJMESA-N 1 0 395.547 4.411 20 0 GIADRO CCN(Cc1ccncc1)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000045779249 822412571 /nfs/dbraw/zinc/41/25/71/822412571.db2.gz KFJYEJLMPAGCCN-IBGZPJMESA-N 1 0 380.536 4.188 20 0 GIADRO Cc1cc([C@H]2CCCN2C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)no1 ZINC000045777833 822412590 /nfs/dbraw/zinc/41/25/90/822412590.db2.gz QYVFVVAIQOCKDX-JOCHJYFZSA-N 1 0 396.535 4.262 20 0 GIADRO COc1cccc(CN(C)C(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)c1 ZINC000045780264 822412749 /nfs/dbraw/zinc/41/27/49/822412749.db2.gz LPSDAXTXDRXWNF-LJQANCHMSA-N 1 0 395.547 4.411 20 0 GIADRO CN(Cc1cn(C)nc1C1CCCCC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000183022499 822412895 /nfs/dbraw/zinc/41/28/95/822412895.db2.gz LVEQDZJMKDZGBS-UHFFFAOYSA-N 1 0 395.595 4.002 20 0 GIADRO C[N@H+](Cc1ccc(-n2cccn2)cc1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000178818230 822413444 /nfs/dbraw/zinc/41/34/44/822413444.db2.gz LEJGTTHTJBSCOQ-WCRBZPEASA-N 1 0 396.535 4.235 20 0 GIADRO Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000178818849 822413621 /nfs/dbraw/zinc/41/36/21/822413621.db2.gz STBZIGIDBUOORC-SNVBAGLBSA-N 1 0 382.291 4.156 20 0 GIADRO C[N@H+](Cc1nnc(-c2ccccc2)o1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000178819131 822413651 /nfs/dbraw/zinc/41/36/51/822413651.db2.gz JJNWXHRXNBOFJT-JWTNVVGKSA-N 1 0 398.507 4.099 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCC[C@@H]2c2ccncc2)C1 ZINC000045788383 822413781 /nfs/dbraw/zinc/41/37/81/822413781.db2.gz BQGZQDYHAZSBFA-AUSIDOKSSA-N 1 0 392.547 4.360 20 0 GIADRO COCCn1cc(C(=O)Nc2cc(C[NH+]3CCCC3)ccc2C)c2ccccc21 ZINC000178822124 822413814 /nfs/dbraw/zinc/41/38/14/822413814.db2.gz YAJHNAVXFVXEIR-UHFFFAOYSA-N 1 0 391.515 4.444 20 0 GIADRO CCCCOc1c(Cl)cc(C(=O)N2CCC([C@H](C)[NH3+])CC2)cc1OCC ZINC000178829624 822414495 /nfs/dbraw/zinc/41/44/95/822414495.db2.gz YULWKLVYCITCBM-AWEZNQCLSA-N 1 0 382.932 4.117 20 0 GIADRO Cn1cc(C[N@@H+]2CCC[C@H](CNC(=O)c3ccccc3)C2)c(C2CCCCC2)n1 ZINC000183032039 822414546 /nfs/dbraw/zinc/41/45/46/822414546.db2.gz JSLUMUDRWIDSQX-LJQANCHMSA-N 1 0 394.563 4.110 20 0 GIADRO Cc1ccc(F)cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000045812846 822415630 /nfs/dbraw/zinc/41/56/30/822415630.db2.gz QLUYWOOWPCOOON-LSDHHAIUSA-N 1 0 383.467 4.160 20 0 GIADRO C[C@@H]([NH3+])C1CCN(C(=O)c2ccc(-c3ccc(OC(F)F)cc3)s2)CC1 ZINC000178851231 822416491 /nfs/dbraw/zinc/41/64/91/822416491.db2.gz DJPOKKGTFVFWNB-GFCCVEGCSA-N 1 0 380.460 4.216 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(C(F)(F)F)cc2)c1 ZINC000045820907 822416724 /nfs/dbraw/zinc/41/67/24/822416724.db2.gz ZFZUKQFSFCSCCU-OLZOCXBDSA-N 1 0 393.409 4.342 20 0 GIADRO CC[N@H+](Cc1cn(C)nc1C1CCCCC1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000183046081 822417029 /nfs/dbraw/zinc/41/70/29/822417029.db2.gz PCEQPENQPOZMJU-UHFFFAOYSA-N 1 0 382.552 4.192 20 0 GIADRO O=C(Cc1ccc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1)N1CCCc2ccccc21 ZINC000183047629 822417272 /nfs/dbraw/zinc/41/72/72/822417272.db2.gz QGYGFLLOUJWXJK-XZOQPEGZSA-N 1 0 389.543 4.247 20 0 GIADRO O=C(c1cccn1Cc1cccs1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000178889726 822419405 /nfs/dbraw/zinc/41/94/05/822419405.db2.gz WTHUYRVKZRGMLL-UHFFFAOYSA-N 1 0 385.577 4.326 20 0 GIADRO Cn1cc(C[NH+]2CCC(NC(=O)CC3CCCC3)CC2)c(C2CCCCC2)n1 ZINC000183065321 822419533 /nfs/dbraw/zinc/41/95/33/822419533.db2.gz XSSZRIWBAFIJHZ-UHFFFAOYSA-N 1 0 386.584 4.129 20 0 GIADRO Cc1oc2ccc(NC(=O)C(=O)Nc3ccc4c(c3)CC[C@@H]4[NH+](C)C)cc2c1C ZINC000453955880 822420117 /nfs/dbraw/zinc/42/01/17/822420117.db2.gz BPGICRHYJCAADM-FQEVSTJZSA-N 1 0 391.471 4.176 20 0 GIADRO COC(=O)C[C@@H]1CCCN1C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000178904471 822420494 /nfs/dbraw/zinc/42/04/94/822420494.db2.gz DXVPIFGPQRBQEQ-IBGZPJMESA-N 1 0 387.524 4.011 20 0 GIADRO FC(F)(F)Oc1cccc(CC[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)c1 ZINC000178912529 822421239 /nfs/dbraw/zinc/42/12/39/822421239.db2.gz XAVPONBLAPXNDY-INIZCTEOSA-N 1 0 390.409 4.050 20 0 GIADRO CC(C)Sc1ccccc1NC(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000453993051 822421407 /nfs/dbraw/zinc/42/14/07/822421407.db2.gz RSNOERLUYZYVES-IBGZPJMESA-N 1 0 397.544 4.313 20 0 GIADRO CC1CCN(C(=O)C2CC[NH+](CCc3cccc(OC(F)(F)F)c3)CC2)CC1 ZINC000178918736 822421678 /nfs/dbraw/zinc/42/16/78/822421678.db2.gz TXWQCJUYASDFDD-UHFFFAOYSA-N 1 0 398.469 4.098 20 0 GIADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]CCCc1ccccn1 ZINC000178934376 822422739 /nfs/dbraw/zinc/42/27/39/822422739.db2.gz SYIHWEBLQPVNGI-UHFFFAOYSA-N 1 0 399.336 4.369 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)CCSc2ccc(C)cc2)CC1 ZINC000045905616 822422954 /nfs/dbraw/zinc/42/29/54/822422954.db2.gz NTFZRTOTMLEGHI-UHFFFAOYSA-N 1 0 383.561 4.258 20 0 GIADRO C[NH2+]C[C@@H]1CCN(C(=O)c2cc(F)ccc2-c2cccc(C(F)(F)F)c2)C1 ZINC000178965619 822425220 /nfs/dbraw/zinc/42/52/20/822425220.db2.gz PEYCGHOCEFRCLT-ZDUSSCGKSA-N 1 0 380.385 4.193 20 0 GIADRO O=C(C[NH+]1CCCCCC1)Nc1ccc(NC(=O)c2cc(F)cc(F)c2)cc1 ZINC000045941394 822425762 /nfs/dbraw/zinc/42/57/62/822425762.db2.gz KTXRBMDTELILCU-UHFFFAOYSA-N 1 0 387.430 4.032 20 0 GIADRO CSc1ccccc1C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000045941215 822425880 /nfs/dbraw/zinc/42/58/80/822425880.db2.gz MUBQBKMMFILTDV-UHFFFAOYSA-N 1 0 397.544 4.475 20 0 GIADRO C[NH2+]C[C@H]1CCN(C(=O)[C@@H](Sc2ccc(F)c(Cl)c2)c2ccccc2)C1 ZINC000178983726 822426224 /nfs/dbraw/zinc/42/62/24/822426224.db2.gz GFTCFDWDKNLZCF-KUHUBIRLSA-N 1 0 392.927 4.380 20 0 GIADRO C[NH2+]C[C@@H]1CCN(C(=O)[C@H](Sc2ccc(F)c(Cl)c2)c2ccccc2)C1 ZINC000178983692 822426263 /nfs/dbraw/zinc/42/62/63/822426263.db2.gz GFTCFDWDKNLZCF-IFXJQAMLSA-N 1 0 392.927 4.380 20 0 GIADRO COc1cc(Cl)c(Cl)cc1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000178987898 822426720 /nfs/dbraw/zinc/42/67/20/822426720.db2.gz UGCGRCLVMKPZAA-SJKOYZFVSA-N 1 0 383.319 4.091 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)Nc2nnc(C3CC3)s2)cc1 ZINC000045973634 822428280 /nfs/dbraw/zinc/42/82/80/822428280.db2.gz HGUSJMFYXJPJHQ-AWEZNQCLSA-N 1 0 385.537 4.112 20 0 GIADRO COc1c(C)ccc(NC(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)c1C ZINC000179002222 822428296 /nfs/dbraw/zinc/42/82/96/822428296.db2.gz WGKSADDJQJSMBE-QGZVFWFLSA-N 1 0 382.508 4.054 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)c1 ZINC000045980143 822429140 /nfs/dbraw/zinc/42/91/40/822429140.db2.gz VFBOUQITDBOLCJ-QGZVFWFLSA-N 1 0 394.519 4.341 20 0 GIADRO CC(C)c1cc(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)nn1-c1ccccc1 ZINC000179006963 822429180 /nfs/dbraw/zinc/42/91/80/822429180.db2.gz LVOFGRGOQHRYLT-UHFFFAOYSA-N 1 0 380.536 4.086 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)c1 ZINC000045980152 822429391 /nfs/dbraw/zinc/42/93/91/822429391.db2.gz AQSSRODPYRIOEL-KRWDZBQOSA-N 1 0 394.519 4.199 20 0 GIADRO CCc1nn(C)c(CC)c1C[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000179009848 822429691 /nfs/dbraw/zinc/42/96/91/822429691.db2.gz GUOFINILQGJFJU-UHFFFAOYSA-N 1 0 391.441 4.039 20 0 GIADRO C[S@@](=O)C[C@H]([NH2+]Cc1ccc(C(=O)Nc2ccccc2)cc1)c1ccccc1 ZINC000183140947 822429993 /nfs/dbraw/zinc/42/99/93/822429993.db2.gz HHFHGEUVJXOXBR-RBISFHTESA-N 1 0 392.524 4.148 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cc(C)ccc2C)cc1 ZINC000183142744 822430304 /nfs/dbraw/zinc/43/03/04/822430304.db2.gz GHZZJCLMIOSRGN-MSOLQXFVSA-N 1 0 376.504 4.475 20 0 GIADRO Cc1ccc2c(C[NH+]3CCC(n4ccc(C(F)(F)F)n4)CC3)cc(=O)oc2c1 ZINC000183143318 822430544 /nfs/dbraw/zinc/43/05/44/822430544.db2.gz CBRXVTHAUHSJTL-UHFFFAOYSA-N 1 0 391.393 4.154 20 0 GIADRO C[NH2+]C[C@H]1CCN(C(=O)c2cc(-c3ccccc3Cl)nc3ccccc32)C1 ZINC000179020446 822430699 /nfs/dbraw/zinc/43/06/99/822430699.db2.gz IGPUNVDAEVKVGD-OAHLLOKOSA-N 1 0 379.891 4.237 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)Nc2cnc3c(cnn3C(C)C)c2)c1 ZINC000045987711 822430716 /nfs/dbraw/zinc/43/07/16/822430716.db2.gz BJPIJFNSHIGAIU-UHFFFAOYSA-N 1 0 394.523 4.176 20 0 GIADRO Cc1cccc([C@H](C)NC(=O)C(=O)Nc2cccc3c2C[N@H+]([C@@H](C)C(C)C)C3)c1 ZINC000454113700 822430834 /nfs/dbraw/zinc/43/08/34/822430834.db2.gz XMZDSPDFAJZNFQ-ROUUACIJSA-N 1 0 393.531 4.171 20 0 GIADRO C[C@@H]1CCC[C@@H]([NH2+]Cc2cccnc2Oc2cccc(S(C)(=O)=O)c2)[C@@H]1C ZINC000183145955 822430947 /nfs/dbraw/zinc/43/09/47/822430947.db2.gz JDABNIOZRYOFEB-JXXFODFXSA-N 1 0 388.533 4.192 20 0 GIADRO CN(c1ccc(NC(=O)c2cnc3ccc(F)cc3c2)cc1)C1CC[NH+](C)CC1 ZINC000179025998 822431222 /nfs/dbraw/zinc/43/12/22/822431222.db2.gz ZCGKKRLMIBNPCG-UHFFFAOYSA-N 1 0 392.478 4.157 20 0 GIADRO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(-n3ccnc3C)cc2)cc1Cl ZINC000183150273 822431636 /nfs/dbraw/zinc/43/16/36/822431636.db2.gz QOTGQRYUSLKUMI-AWEZNQCLSA-N 1 0 398.894 4.132 20 0 GIADRO CC(=O)c1ccc(Oc2ccc(C(=O)N3CCC[C@H]3C[NH+]3CCCC3)cc2)cc1 ZINC000179038639 822432322 /nfs/dbraw/zinc/43/23/22/822432322.db2.gz JVAKRROHGPHLLD-NRFANRHFSA-N 1 0 392.499 4.382 20 0 GIADRO FC(F)Oc1cccc(C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)c1 ZINC000183155143 822432684 /nfs/dbraw/zinc/43/26/84/822432684.db2.gz XAKSFIOFSHGKOS-UHFFFAOYSA-N 1 0 375.341 4.340 20 0 GIADRO O=C1C[C@@H](C[NH2+]Cc2cccc(OC3CCCC3)c2)CN1Cc1ccccc1 ZINC000179051510 822433608 /nfs/dbraw/zinc/43/36/08/822433608.db2.gz VAOFFMLYSAMFFO-NRFANRHFSA-N 1 0 378.516 4.146 20 0 GIADRO COC1CCC([NH2+][C@@H](c2ccc(C)cc2)c2cccc(S(C)(=O)=O)c2)CC1 ZINC000183164245 822433893 /nfs/dbraw/zinc/43/38/93/822433893.db2.gz BVYZHKZOIOYFAK-AOMIVXANSA-N 1 0 387.545 4.035 20 0 GIADRO C[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000454158654 822434033 /nfs/dbraw/zinc/43/40/33/822434033.db2.gz DDXKYJJYBJJNNE-MAUKXSAKSA-N 1 0 383.458 4.155 20 0 GIADRO CN(C(=O)c1oc2ccccc2c1CSc1ccc(F)cc1)[C@@H]1CC[NH2+]C1 ZINC000179061007 822434428 /nfs/dbraw/zinc/43/44/28/822434428.db2.gz PBXLUCVWNJJUTR-OAHLLOKOSA-N 1 0 384.476 4.298 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1cccc(Cl)c1Cl)c1ccccc1-n1cccn1 ZINC000183170316 822434975 /nfs/dbraw/zinc/43/49/75/822434975.db2.gz IGKCREZXPLVVCD-ZDUSSCGKSA-N 1 0 389.286 4.468 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)Cc2csc(-c3ccccn3)n2)c1 ZINC000046016193 822435144 /nfs/dbraw/zinc/43/51/44/822435144.db2.gz SGJYANHGELJRGZ-UHFFFAOYSA-N 1 0 380.517 4.228 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1sc(-c2ccc(F)c(F)c2)nc1C ZINC000183175451 822435781 /nfs/dbraw/zinc/43/57/81/822435781.db2.gz UUVMODUAZPOGRN-CABCVRRESA-N 1 0 391.487 4.096 20 0 GIADRO Cc1ccccc1NC(=O)C[C@H](C)[NH2+]CCCc1nc(-c2ccc(F)cc2)no1 ZINC000183177718 822436240 /nfs/dbraw/zinc/43/62/40/822436240.db2.gz HZKBZWNPASXYDW-INIZCTEOSA-N 1 0 396.466 4.124 20 0 GIADRO COc1ccc([C@@H](C)NCc2ccccc2[N+](=O)[O-])cc1C[NH+]1CCCCC1 ZINC000183178624 822436351 /nfs/dbraw/zinc/43/63/51/822436351.db2.gz TYNRWKKZCTZEGU-QGZVFWFLSA-N 1 0 383.492 4.440 20 0 GIADRO C[C@@H]([NH2+]Cc1cnc(-c2ccccc2)[nH]1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000179090358 822437028 /nfs/dbraw/zinc/43/70/28/822437028.db2.gz GTWYQZCWFRZOSK-WZONZLPQSA-N 1 0 391.515 4.492 20 0 GIADRO C[C@@H]([NH2+]Cc1cn2cc(Cl)ccc2n1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000179090412 822437042 /nfs/dbraw/zinc/43/70/42/822437042.db2.gz VOVPPWGSBXDNHD-ZHRRBRCNSA-N 1 0 399.922 4.403 20 0 GIADRO COc1ccc(OCCC[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)cc1 ZINC000183189362 822438447 /nfs/dbraw/zinc/43/84/47/822438447.db2.gz PNBSSVNFVHWKSY-UHFFFAOYSA-N 1 0 383.414 4.017 20 0 GIADRO c1cc(CN2CCC([NH2+][C@H]3CCCOc4cc5c(cc43)CCC5)CC2)ccn1 ZINC000179102816 822438492 /nfs/dbraw/zinc/43/84/92/822438492.db2.gz MXHOIJFLUILASN-QHCPKHFHSA-N 1 0 377.532 4.038 20 0 GIADRO CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)Nc3c(C)cccc3C)CC2)cc1 ZINC000454212909 822439487 /nfs/dbraw/zinc/43/94/87/822439487.db2.gz WKEHRLZOIHFCMF-UHFFFAOYSA-N 1 0 394.519 4.048 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)N1CC(C)(C)[C@@H]2COC[C@@H]21)C1CCCCC1 ZINC000454217239 822439915 /nfs/dbraw/zinc/43/99/15/822439915.db2.gz ABYDXTIWSQFJFA-CTNGQTDRSA-N 1 0 385.552 4.340 20 0 GIADRO Cc1nc(-c2ccccc2Br)sc1[C@H](C)[NH2+]CC(C)(C)C(N)=O ZINC000183201758 822440505 /nfs/dbraw/zinc/44/05/05/822440505.db2.gz BXNURFRWKUDGMM-JTQLQIEISA-N 1 0 396.354 4.043 20 0 GIADRO Cc1cnc([C@H](C)C[NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)s1 ZINC000183201376 822440519 /nfs/dbraw/zinc/44/05/19/822440519.db2.gz YQKPDWIGWLQFKM-NEPJUHHUSA-N 1 0 396.354 4.324 20 0 GIADRO Cc1cc(NC(=O)CC[NH+]2CCC(C(=O)c3ccc(CC(C)C)cc3)CC2)no1 ZINC000046087231 822440619 /nfs/dbraw/zinc/44/06/19/822440619.db2.gz KQAKQVJVDGTXOG-UHFFFAOYSA-N 1 0 397.519 4.105 20 0 GIADRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)NCCC(C)(F)F)cc1 ZINC000454226184 822440811 /nfs/dbraw/zinc/44/08/11/822440811.db2.gz KEUGSAQPOIURTJ-UHFFFAOYSA-N 1 0 375.463 4.260 20 0 GIADRO CCc1nc(CN2CCC(C[NH2+][C@@H](C)c3ccc(Cl)nc3)CC2)cs1 ZINC000179125007 822441003 /nfs/dbraw/zinc/44/10/03/822441003.db2.gz ILFSLQUGFPLLIK-AWEZNQCLSA-N 1 0 378.973 4.317 20 0 GIADRO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)cc1C ZINC000183203417 822441084 /nfs/dbraw/zinc/44/10/84/822441084.db2.gz MUYHTOIBTRYROB-OAHLLOKOSA-N 1 0 394.441 4.183 20 0 GIADRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1ccc(Cl)nc1 ZINC000179132529 822441387 /nfs/dbraw/zinc/44/13/87/822441387.db2.gz QKHCHURAWJBJSM-LRDDRELGSA-N 1 0 395.837 4.183 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)NCC1(CF)CCOCC1)C1CCCCC1 ZINC000454232676 822441448 /nfs/dbraw/zinc/44/14/48/822441448.db2.gz VVRCGUVEZQXWIA-UHFFFAOYSA-N 1 0 391.531 4.339 20 0 GIADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cccc(C)c1Cl ZINC000179136918 822441932 /nfs/dbraw/zinc/44/19/32/822441932.db2.gz UFKRTYZXXFVIGX-UHFFFAOYSA-N 1 0 387.911 4.051 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2nc(-c3ccc(Cl)c(Cl)c3)oc2C)C1 ZINC000183211098 822442225 /nfs/dbraw/zinc/44/22/25/822442225.db2.gz CSISIGUREOUJFL-CYBMUJFWSA-N 1 0 396.318 4.371 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)N[C@H]1CCCC[C@H]1CC(F)(F)F)c1ccsc1 ZINC000454239375 822442530 /nfs/dbraw/zinc/44/25/30/822442530.db2.gz ODPRTPMUKFEWGT-AEGPPILISA-N 1 0 377.476 4.161 20 0 GIADRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N(C)Cc3ccccc3O)cc2)C1 ZINC000046123584 822442572 /nfs/dbraw/zinc/44/25/72/822442572.db2.gz XFTYOPAYEBCXDZ-OALUTQOASA-N 1 0 395.547 4.212 20 0 GIADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N(C)Cc3ccccc3O)cc2)C1 ZINC000046123588 822442578 /nfs/dbraw/zinc/44/25/78/822442578.db2.gz XFTYOPAYEBCXDZ-RTBURBONSA-N 1 0 395.547 4.212 20 0 GIADRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N(C)Cc2ccccc2O)C1 ZINC000046129572 822442984 /nfs/dbraw/zinc/44/29/84/822442984.db2.gz BNJUMQHYWUPFPO-OALUTQOASA-N 1 0 395.547 4.212 20 0 GIADRO Cc1onc(-c2ccc(F)cc2)c1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000046148122 822444197 /nfs/dbraw/zinc/44/41/97/822444197.db2.gz MVDOJFGFONYKNL-HXUWFJFHSA-N 1 0 393.462 4.356 20 0 GIADRO C[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000454255223 822444198 /nfs/dbraw/zinc/44/41/98/822444198.db2.gz VTKJIDFSHWQHAV-MAUKXSAKSA-N 1 0 383.458 4.155 20 0 GIADRO C[N@@H+]1CCCN(c2ccc(NC(=O)[C@H](OC(C)(C)C)c3ccccc3)cc2)CC1 ZINC000179153550 822444676 /nfs/dbraw/zinc/44/46/76/822444676.db2.gz SWTHIMNFVHXPOQ-JOCHJYFZSA-N 1 0 395.547 4.323 20 0 GIADRO CSc1ccc([C@@H](CNC(=O)Nc2nc(C3CC3)cs2)[NH+](C)C)cc1 ZINC000454259333 822445026 /nfs/dbraw/zinc/44/50/26/822445026.db2.gz NQYZNCDBUMIOGE-MRXNPFEDSA-N 1 0 376.551 4.167 20 0 GIADRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)Nc1cccc(-c2ncco2)c1 ZINC000179162637 822446074 /nfs/dbraw/zinc/44/60/74/822446074.db2.gz FGUHMTFITMVCMK-UHFFFAOYSA-N 1 0 390.487 4.375 20 0 GIADRO C[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1ncc(-c2ccccc2)o1 ZINC000179175875 822447246 /nfs/dbraw/zinc/44/72/46/822447246.db2.gz DHTNGPQMNUSGFC-LDQXTDLNSA-N 1 0 390.487 4.147 20 0 GIADRO CO[C@H]1CCN(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)CC1(C)C ZINC000454274404 822448123 /nfs/dbraw/zinc/44/81/23/822448123.db2.gz VRNWIOBRVYDCIA-RXVVDRJESA-N 1 0 387.568 4.018 20 0 GIADRO COc1ccc(C[N@H+](C)C[C@H](C)c2nccs2)cc1OCc1cccnc1 ZINC000183249115 822448379 /nfs/dbraw/zinc/44/83/79/822448379.db2.gz ZRWAJAUXRXHDMM-INIZCTEOSA-N 1 0 383.517 4.361 20 0 GIADRO C[C@@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1ncc(Br)s1 ZINC000179195695 822449293 /nfs/dbraw/zinc/44/92/93/822449293.db2.gz WWCHUHRYECHBEI-CYBMUJFWSA-N 1 0 380.355 4.352 20 0 GIADRO C[C@@H](C[N@H+](C)CC1=Cc2cc(Br)ccc2OC1)c1nccs1 ZINC000183260769 822450051 /nfs/dbraw/zinc/45/00/51/822450051.db2.gz ACXZPCJCFPGHEJ-LBPRGKRZSA-N 1 0 379.323 4.417 20 0 GIADRO COc1cccc([C@@H]2[C@@H](NC(=O)/C=C/SCc3ccco3)CC[N@@H+]2C2CC2)c1 ZINC000183277053 822452629 /nfs/dbraw/zinc/45/26/29/822452629.db2.gz BSZROMOGMHFGNK-HMEQAMLRSA-N 1 0 398.528 4.129 20 0 GIADRO COc1ccc(C[C@H](C)[NH2+][C@@H](C)c2ncc(Br)s2)cc1OC ZINC000179227382 822454011 /nfs/dbraw/zinc/45/40/11/822454011.db2.gz UJHXGWYECQQUCM-QWRGUYRKSA-N 1 0 385.327 4.205 20 0 GIADRO Cc1ccc(NC(=O)C2(C[NH2+][C@H](c3nccn3C)C3CC3)CCCC2)cc1C ZINC000183293959 822454471 /nfs/dbraw/zinc/45/44/71/822454471.db2.gz WMPHRVNPRAGLSA-FQEVSTJZSA-N 1 0 380.536 4.277 20 0 GIADRO COc1cccc(N2CCC[C@@H]([NH2+][C@H](C)c3ncc(Br)s3)C2)c1 ZINC000179231876 822454639 /nfs/dbraw/zinc/45/46/39/822454639.db2.gz MOXMLCUWCVCPEP-CHWSQXEVSA-N 1 0 396.354 4.234 20 0 GIADRO Fc1ccc([C@H](C[NH2+][C@H](c2ccco2)c2ccccc2)N2CCOCC2)cc1 ZINC000183295884 822454708 /nfs/dbraw/zinc/45/47/08/822454708.db2.gz NGLZGTJBKYAGDH-GMAHTHKFSA-N 1 0 380.463 4.171 20 0 GIADRO COCc1cccc(C[N@@H+]2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)c1 ZINC000179235357 822455356 /nfs/dbraw/zinc/45/53/56/822455356.db2.gz PXDUUZIHSGDOLG-IBGZPJMESA-N 1 0 381.451 4.402 20 0 GIADRO CCCc1ncc(CNC(=O)NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)o1 ZINC000454315304 822456857 /nfs/dbraw/zinc/45/68/57/822456857.db2.gz HXXYLUNFMISQQJ-HDICACEKSA-N 1 0 398.551 4.104 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N[C@H]2CCO[C@H](c3cccs3)C2)C1 ZINC000454315660 822457145 /nfs/dbraw/zinc/45/71/45/822457145.db2.gz GXMUSQPMEWAWNY-RDGPPVDQSA-N 1 0 393.597 4.026 20 0 GIADRO O=C(N[C@@H]1CC[C@H](c2cccc(Cl)c2)C1)NC1CC[NH+](CC2CC2)CC1 ZINC000454316361 822457171 /nfs/dbraw/zinc/45/71/71/822457171.db2.gz ZNROKQGPAOOKKM-FXAWDEMLSA-N 1 0 375.944 4.150 20 0 GIADRO 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 822458170 /nfs/dbraw/zinc/45/81/70/822458170.db2.gz OGXDZQKBBHFVGX-VVLHAWIVSA-N 1 0 377.495 4.117 20 0 GIADRO CCc1nc(C)c([C@H](C)N(C)C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)s1 ZINC000179275326 822460060 /nfs/dbraw/zinc/46/00/60/822460060.db2.gz PDLQWGORSKFDAG-VDZJLULYSA-N 1 0 386.565 4.162 20 0 GIADRO CCn1cc([C@H](C)NC(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)cn1 ZINC000454355859 822461247 /nfs/dbraw/zinc/46/12/47/822461247.db2.gz ATSLJEJCGPNOBK-SFHVURJKSA-N 1 0 397.567 4.228 20 0 GIADRO CC(C)(C)[NH+]1CCC(NC(=O)NC/C=C\c2ccc(Br)cc2)CC1 ZINC000454360650 822461875 /nfs/dbraw/zinc/46/18/75/822461875.db2.gz UNXAWBLXAAQOPV-PLNGDYQASA-N 1 0 394.357 4.024 20 0 GIADRO COC(=O)COc1ccccc1[C@H](C)[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000183349503 822462068 /nfs/dbraw/zinc/46/20/68/822462068.db2.gz CRVLRERKEGWFCA-GUYCJALGSA-N 1 0 375.465 4.265 20 0 GIADRO COC(=O)COc1ccccc1[C@@H](C)[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000183349518 822462085 /nfs/dbraw/zinc/46/20/85/822462085.db2.gz CRVLRERKEGWFCA-DYVFJYSZSA-N 1 0 375.465 4.265 20 0 GIADRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)c2cnc3ccc(F)cc3c2)CC1 ZINC000179310747 822464398 /nfs/dbraw/zinc/46/43/98/822464398.db2.gz BRDQCLGXYQKPPP-UHFFFAOYSA-N 1 0 391.490 4.358 20 0 GIADRO Cc1ccc(Br)cc1NC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000046346074 822464468 /nfs/dbraw/zinc/46/44/68/822464468.db2.gz BCARRHOEDBJVQI-OAHLLOKOSA-N 1 0 382.327 4.243 20 0 GIADRO C[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1nnc(-c2ccc(Br)o2)o1 ZINC000183371583 822465010 /nfs/dbraw/zinc/46/50/10/822465010.db2.gz PZIRWYAKAYNTGZ-RYUDHWBXSA-N 1 0 376.254 4.374 20 0 GIADRO CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+][C@H](C)c2cccc3ccccc32)CC1 ZINC000183380167 822466187 /nfs/dbraw/zinc/46/61/87/822466187.db2.gz OQGDPSVOQWUAAS-ZWKOTPCHSA-N 1 0 396.531 4.071 20 0 GIADRO CC1(CNC(=O)[C@H](Sc2cc(F)ccc2F)c2ccccc2)CC[NH2+]CC1 ZINC000183380100 822466218 /nfs/dbraw/zinc/46/62/18/822466218.db2.gz ZPUCLWHDGYLGDF-LJQANCHMSA-N 1 0 390.499 4.304 20 0 GIADRO CC(C)c1nccn1Cc1cccc(NC(=O)NCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000046372762 822466999 /nfs/dbraw/zinc/46/69/99/822466999.db2.gz DOVQKDOGMAISGY-GOSISDBHSA-N 1 0 383.540 4.051 20 0 GIADRO O=C(Cc1ccc(C(F)(F)F)cc1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000046375405 822467221 /nfs/dbraw/zinc/46/72/21/822467221.db2.gz UHKQCCIXTDHMBY-UHFFFAOYSA-N 1 0 376.422 4.160 20 0 GIADRO Cc1ccc(C)c(C(=O)CCC(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000046374667 822467222 /nfs/dbraw/zinc/46/72/22/822467222.db2.gz YVMJPGXXSLIKIC-UHFFFAOYSA-N 1 0 378.516 4.179 20 0 GIADRO Cc1nc2ccc(NC(=O)N(C)C3CC[NH+](CCC(F)(F)F)CC3)cc2o1 ZINC000454395298 822468406 /nfs/dbraw/zinc/46/84/06/822468406.db2.gz ZXONMNINGSNRMT-UHFFFAOYSA-N 1 0 384.402 4.017 20 0 GIADRO CC(C)(C)OC(=O)NCCCOC1CC[NH+](Cc2cccc3cnccc32)CC1 ZINC000183403680 822468926 /nfs/dbraw/zinc/46/89/26/822468926.db2.gz OKWVUNZOVUUIDO-UHFFFAOYSA-N 1 0 399.535 4.131 20 0 GIADRO C[N@@H+]1CCCN(c2ccc(NC(=O)Cc3ccc(Cl)c(Cl)c3)cc2)CC1 ZINC000046403878 822470359 /nfs/dbraw/zinc/47/03/59/822470359.db2.gz LFSXMWVEAREPIU-UHFFFAOYSA-N 1 0 392.330 4.317 20 0 GIADRO C[N@@H+]1CCCN(c2ccc(NC(=O)c3cccc(Cl)c3Cl)cc2)CC1 ZINC000046403876 822470395 /nfs/dbraw/zinc/47/03/95/822470395.db2.gz ZGIOOUIKMPIOMA-UHFFFAOYSA-N 1 0 378.303 4.388 20 0 GIADRO C[N@@H+]1CCCN(c2ccc(NC(=O)CCCc3c[nH]c4ccccc34)cc2)CC1 ZINC000046403837 822470461 /nfs/dbraw/zinc/47/04/61/822470461.db2.gz JQCFUQRGXQUBKG-UHFFFAOYSA-N 1 0 390.531 4.271 20 0 GIADRO C[N@@H+]1CCCN(c2ccc(NC(=O)/C=C/c3ccc(Cl)s3)cc2)CC1 ZINC000046404063 822470585 /nfs/dbraw/zinc/47/05/85/822470585.db2.gz IHVUQRZUNPSDSV-CSKARUKUSA-N 1 0 375.925 4.195 20 0 GIADRO CCO[C@@H]1CCN(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C[C@H]1C ZINC000454409925 822470873 /nfs/dbraw/zinc/47/08/73/822470873.db2.gz ONKDHKCSLMUAEE-DENIHFKCSA-N 1 0 387.568 4.019 20 0 GIADRO Cc1ccc2c(c1)[C@H](NC(=O)NC1CC[NH+]([C@H](C)c3ccncc3)CC1)CCC2 ZINC000179362072 822471400 /nfs/dbraw/zinc/47/14/00/822471400.db2.gz ODPAHZNHTSOYQL-WZONZLPQSA-N 1 0 392.547 4.292 20 0 GIADRO CN(Cc1c(F)cccc1F)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000454413688 822471670 /nfs/dbraw/zinc/47/16/70/822471670.db2.gz YAEAUWJYEBBPCZ-UHFFFAOYSA-N 1 0 393.503 4.080 20 0 GIADRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)NC[C@@H]1CCCCC1(F)F ZINC000454415887 822471902 /nfs/dbraw/zinc/47/19/02/822471902.db2.gz VOXKUUPLYVPWQP-CVEARBPZSA-N 1 0 385.524 4.085 20 0 GIADRO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000454423378 822473029 /nfs/dbraw/zinc/47/30/29/822473029.db2.gz DAOYJKVTEWYYFR-IRLDBZIGSA-N 1 0 393.531 4.081 20 0 GIADRO CC[C@@H]([NH2+][C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1)c1cc(C)ccc1OC ZINC000179399803 822477281 /nfs/dbraw/zinc/47/72/81/822477281.db2.gz KACPUOSIVIIVGU-HTAPYJJXSA-N 1 0 396.531 4.463 20 0 GIADRO Cc1cc2ncc([C@@H](C)[NH2+]Cc3ccnc(OC4CCCCC4)c3)c(C)n2n1 ZINC000179418169 822479697 /nfs/dbraw/zinc/47/96/97/822479697.db2.gz MSBHQSDDUNDXFP-MRXNPFEDSA-N 1 0 379.508 4.303 20 0 GIADRO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]Cc1ccccc1CS(=O)(=O)NC(C)C ZINC000179420120 822479722 /nfs/dbraw/zinc/47/97/22/822479722.db2.gz UZHZLZFBYPISPU-UTKZUKDTSA-N 1 0 386.561 4.161 20 0 GIADRO CCC[C@H]1C[C@@H](C(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)CCO1 ZINC000183468571 822479771 /nfs/dbraw/zinc/47/97/71/822479771.db2.gz BGPGGLJQGCRPEF-UNMCSNQZSA-N 1 0 380.532 4.079 20 0 GIADRO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)N1C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000454474631 822480901 /nfs/dbraw/zinc/48/09/01/822480901.db2.gz CFYCOCMHHZZDEQ-RRFJBIMHSA-N 1 0 387.446 4.210 20 0 GIADRO CCOc1cc(CCC[NH2+][C@@H](C)c2cnc3cc(C)nn3c2C)ccc1OC ZINC000179432850 822481760 /nfs/dbraw/zinc/48/17/60/822481760.db2.gz QDZABGDDJNMSLP-INIZCTEOSA-N 1 0 382.508 4.037 20 0 GIADRO CCC(=O)Nc1ccc(Cl)c(NC(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)c1 ZINC000454481335 822482238 /nfs/dbraw/zinc/48/22/38/822482238.db2.gz FCSDHKCPPVWNAE-INIZCTEOSA-N 1 0 394.947 4.321 20 0 GIADRO Cc1cc2ncc([C@H](C)[NH2+]Cc3ccc(C(=O)OC(C)(C)C)cc3)c(C)n2n1 ZINC000179437409 822482658 /nfs/dbraw/zinc/48/26/58/822482658.db2.gz RDSCKEALSWOLLG-HNNXBMFYSA-N 1 0 380.492 4.152 20 0 GIADRO Cc1nn(C)c(C)c1CCC[NH2+][C@@H](C)c1cnn(-c2cccc(Cl)c2)c1C ZINC000183490523 822484618 /nfs/dbraw/zinc/48/46/18/822484618.db2.gz XXPFGCNKRPEIIZ-AWEZNQCLSA-N 1 0 385.943 4.468 20 0 GIADRO Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)cc1 ZINC000179449001 822484668 /nfs/dbraw/zinc/48/46/68/822484668.db2.gz UFDNNSGARACZEU-QGZVFWFLSA-N 1 0 384.524 4.074 20 0 GIADRO Cc1cnc([C@H](C)CNC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)s1 ZINC000183493674 822485248 /nfs/dbraw/zinc/48/52/48/822485248.db2.gz DPNSEWGOTHNJBZ-NVXWUHKLSA-N 1 0 386.565 4.080 20 0 GIADRO COCCOc1ccc([C@@H](C)[NH2+]CCc2coc(-c3ccc(F)cc3)n2)cc1 ZINC000179455851 822485748 /nfs/dbraw/zinc/48/57/48/822485748.db2.gz HSPYEAPKROLSBA-MRXNPFEDSA-N 1 0 384.451 4.399 20 0 GIADRO Cc1cc(N2CCCC2)ccc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000179460021 822486160 /nfs/dbraw/zinc/48/61/60/822486160.db2.gz UTCSIQGIUZRKDY-FGZHOGPDSA-N 1 0 378.520 4.162 20 0 GIADRO C[N@@H+]1CC[C@H](NC(=O)Nc2cccc(OCC(F)(F)F)c2)[C@@H]1c1ccccc1 ZINC000179479029 822488483 /nfs/dbraw/zinc/48/84/83/822488483.db2.gz ORJJKFZBRBDMCE-ROUUACIJSA-N 1 0 393.409 4.195 20 0 GIADRO C[C@H](NC(=O)Nc1cc(F)ccc1Br)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183516955 822488854 /nfs/dbraw/zinc/48/88/54/822488854.db2.gz SZTJWVFBIPJUCB-STQMWFEESA-N 1 0 398.320 4.363 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1)c1ccc(N2CCOC2=O)cc1 ZINC000179493878 822490463 /nfs/dbraw/zinc/49/04/63/822490463.db2.gz VLWQYFRNYLYYDB-IWMITWMQSA-N 1 0 399.922 4.393 20 0 GIADRO Cc1csc([C@H]([NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)C2CC2)n1 ZINC000183530801 822490716 /nfs/dbraw/zinc/49/07/16/822490716.db2.gz YTJXOHKAHYBQTF-SWLSCSKDSA-N 1 0 387.332 4.239 20 0 GIADRO C[C@H]([NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(C(F)(F)F)cc1 ZINC000179496065 822490873 /nfs/dbraw/zinc/49/08/73/822490873.db2.gz REKOVDVINKSCOG-RDJZCZTQSA-N 1 0 376.422 4.405 20 0 GIADRO C[C@@H]([NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1Br ZINC000179495537 822491008 /nfs/dbraw/zinc/49/10/08/822491008.db2.gz IHPDPRFYUIYWIF-NVXWUHKLSA-N 1 0 387.321 4.148 20 0 GIADRO O=C1C[C@H](C[NH2+][C@H]2CCc3c2cccc3Br)CN1Cc1ccccc1 ZINC000179496887 822491219 /nfs/dbraw/zinc/49/12/19/822491219.db2.gz IVJZSAJXYXZAJU-UZLBHIALSA-N 1 0 399.332 4.075 20 0 GIADRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccccc1)c1cccc(OC(F)F)c1 ZINC000046611346 822491950 /nfs/dbraw/zinc/49/19/50/822491950.db2.gz KAJBLBSCDJJMQB-MRXNPFEDSA-N 1 0 391.462 4.122 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@H]2CCCN(c3ccccc3F)C2)cc(OC)c1OC ZINC000179500633 822492135 /nfs/dbraw/zinc/49/21/35/822492135.db2.gz RTQUXHFUMOIPIV-WBVHZDCISA-N 1 0 388.483 4.171 20 0 GIADRO Cc1csc([C@H]([NH2+]CCCCCn2nnc(-c3ccccc3)n2)C2CC2)n1 ZINC000183542388 822492482 /nfs/dbraw/zinc/49/24/82/822492482.db2.gz YRRRIPKWOOOPLY-GOSISDBHSA-N 1 0 382.537 4.016 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@H]2CCCCC2(F)F)CC1 ZINC000454534068 822492606 /nfs/dbraw/zinc/49/26/06/822492606.db2.gz ZYKNSLKTOQKESF-SJLPKXTDSA-N 1 0 379.495 4.337 20 0 GIADRO CC[C@H]([NH2+][C@H](C)Cn1ncc2ccccc2c1=O)c1ccccc1OC(F)F ZINC000179513790 822494418 /nfs/dbraw/zinc/49/44/18/822494418.db2.gz XWULHHFONQZQDH-KDOFPFPSSA-N 1 0 387.430 4.127 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)Cn1ncc2ccccc2c1=O)c1ccc(OC(F)F)cc1 ZINC000179516412 822494869 /nfs/dbraw/zinc/49/48/69/822494869.db2.gz JWGKNXRAUZTZNC-LIRRHRJNSA-N 1 0 387.430 4.127 20 0 GIADRO C[N@H+](CCCCNC(=O)Nc1ccccc1CN1CCc2ccccc21)C1CC1 ZINC000454546872 822494933 /nfs/dbraw/zinc/49/49/33/822494933.db2.gz XFWAOHGGHMFMNP-UHFFFAOYSA-N 1 0 392.547 4.245 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)Cn1ncc2ccccc2c1=O)c1ccc(SC(F)F)cc1 ZINC000179516890 822495153 /nfs/dbraw/zinc/49/51/53/822495153.db2.gz SUZQRZXRRBAGTP-UONOGXRCSA-N 1 0 389.471 4.451 20 0 GIADRO C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000179517285 822495292 /nfs/dbraw/zinc/49/52/92/822495292.db2.gz TUNWITBTGJBWOZ-KBPBESRZSA-N 1 0 375.394 4.155 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)Cn1ncc2ccccc2c1=O)c1ccccc1OC(F)(F)F ZINC000179517721 822495570 /nfs/dbraw/zinc/49/55/70/822495570.db2.gz AJSQZMKJOQRLBQ-UONOGXRCSA-N 1 0 391.393 4.034 20 0 GIADRO CC(C)n1c2ccccc2nc1[C@H]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000183569264 822496066 /nfs/dbraw/zinc/49/60/66/822496066.db2.gz QBYDPJNICHMKLT-KRWDZBQOSA-N 1 0 391.519 4.098 20 0 GIADRO CCn1nc(C)c(NC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)c1C ZINC000179535361 822499142 /nfs/dbraw/zinc/49/91/42/822499142.db2.gz OSHJWTSYLPHUOY-UHFFFAOYSA-N 1 0 391.519 4.023 20 0 GIADRO CC(C)(C)c1nc(CC[NH2+]C2CCC3(CC2)C(=O)Nc2ccccc23)cs1 ZINC000179535834 822499267 /nfs/dbraw/zinc/49/92/67/822499267.db2.gz FYIJPGFMSLQIHM-UHFFFAOYSA-N 1 0 383.561 4.405 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2sc(C)nc2C(F)(F)F)C1)CC(F)(F)F ZINC000183602142 822499924 /nfs/dbraw/zinc/49/99/24/822499924.db2.gz YUOQDGOWPGDDMM-NSHDSACASA-N 1 0 389.409 4.176 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1)c1cccc(-n2cccn2)c1 ZINC000183603480 822500178 /nfs/dbraw/zinc/50/01/78/822500178.db2.gz NNZIUBISIVAVAO-HOIFWPIMSA-N 1 0 399.922 4.315 20 0 GIADRO CC(C)Oc1cccc([C@H](O)C[NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)c1 ZINC000183612556 822501209 /nfs/dbraw/zinc/50/12/09/822501209.db2.gz XRLWRKBZBBQFDF-PKTZIBPZSA-N 1 0 380.463 4.421 20 0 GIADRO CCCOc1ccc([C@H](C)NC(=O)Nc2cccc(C[NH+](C)C)c2)cc1OC ZINC000046674296 822502664 /nfs/dbraw/zinc/50/26/64/822502664.db2.gz IDAGLMWAXIMXJX-INIZCTEOSA-N 1 0 385.508 4.428 20 0 GIADRO O=C1CCCN1C[C@H]([NH2+]Cc1cc(F)cc(Br)c1)c1ccccc1 ZINC000179562972 822504081 /nfs/dbraw/zinc/50/40/81/822504081.db2.gz UPZIPINZZSGQKL-SFHVURJKSA-N 1 0 391.284 4.042 20 0 GIADRO Cc1c(Br)cccc1C[NH2+][C@H](CN1CCCC1=O)c1ccccc1 ZINC000179563818 822504103 /nfs/dbraw/zinc/50/41/03/822504103.db2.gz BODSWEOCVPTLAE-LJQANCHMSA-N 1 0 387.321 4.211 20 0 GIADRO O=C1CCCN1C[C@@H]([NH2+]Cc1cc(F)cc(Br)c1)c1ccccc1 ZINC000179562963 822504136 /nfs/dbraw/zinc/50/41/36/822504136.db2.gz UPZIPINZZSGQKL-GOSISDBHSA-N 1 0 391.284 4.042 20 0 GIADRO CC[C@@H](NC(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccccc1OC(F)F ZINC000046684300 822504804 /nfs/dbraw/zinc/50/48/04/822504804.db2.gz ITYQZIPJCSERKS-GOSISDBHSA-N 1 0 395.494 4.257 20 0 GIADRO CSc1ccc(CN(C)C(=O)C[NH2+][C@H](C)c2cccc(OC(F)F)c2)cc1 ZINC000179573504 822505611 /nfs/dbraw/zinc/50/56/11/822505611.db2.gz QUQXKBVLONQANT-CQSZACIVSA-N 1 0 394.487 4.319 20 0 GIADRO Cc1nc(-c2ccccc2Br)sc1[C@H](C)[NH2+]CC1(C)OCCO1 ZINC000179575701 822505873 /nfs/dbraw/zinc/50/58/73/822505873.db2.gz GTASOVGNNJPMEU-NSHDSACASA-N 1 0 397.338 4.295 20 0 GIADRO CC(C)([NH2+]CC(=O)Nc1cc2c(cc1Cl)OCCCO2)c1cccc(F)c1 ZINC000179575940 822505954 /nfs/dbraw/zinc/50/59/54/822505954.db2.gz NYBHMFBQCFLKSJ-UHFFFAOYSA-N 1 0 392.858 4.104 20 0 GIADRO COCCn1ccc2ccc(NC(=O)N[C@@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)cc21 ZINC000183651961 822506365 /nfs/dbraw/zinc/50/63/65/822506365.db2.gz YOOOQRGWMRNZBO-PKOBYXMFSA-N 1 0 398.551 4.062 20 0 GIADRO C[C@@H]1CN(C(=O)Nc2cccc(N3CCCC3)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000454620062 822507732 /nfs/dbraw/zinc/50/77/32/822507732.db2.gz OSVRYAPNWXTYHU-FQEVSTJZSA-N 1 0 392.547 4.273 20 0 GIADRO COc1ccc(C)cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000179594959 822509403 /nfs/dbraw/zinc/50/94/03/822509403.db2.gz BKZRKVFYBVCDBQ-KBPBESRZSA-N 1 0 378.419 4.283 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2c(F)cccc2F)cc1 ZINC000183674562 822509478 /nfs/dbraw/zinc/50/94/78/822509478.db2.gz UUATYXSIMFOSQF-UONOGXRCSA-N 1 0 384.430 4.137 20 0 GIADRO COc1ccc2c(C[NH2+][C@H](C)c3ccc(-n4ccnc4C)cc3)cc(=O)oc2c1 ZINC000183676059 822509648 /nfs/dbraw/zinc/50/96/48/822509648.db2.gz HYXYWGFMERODSR-OAHLLOKOSA-N 1 0 389.455 4.147 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)c2cccnc2Sc2ccccc2)cc1 ZINC000046721615 822509810 /nfs/dbraw/zinc/50/98/10/822509810.db2.gz NYULCRCCNJCOIO-UHFFFAOYSA-N 1 0 393.512 4.426 20 0 GIADRO Cc1nc(-c2cccs2)sc1C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000046723512 822509924 /nfs/dbraw/zinc/50/99/24/822509924.db2.gz ACHFJTDPUGASBV-UHFFFAOYSA-N 1 0 387.530 4.373 20 0 GIADRO CC(C)C[C@H]([NH2+][C@@H](C)c1cnn(Cc2ccccc2)c1)C(=O)Nc1nccs1 ZINC000179599429 822509978 /nfs/dbraw/zinc/50/99/78/822509978.db2.gz ULQOSZJIEHKGMC-LPHOPBHVSA-N 1 0 397.548 4.092 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)[NH2+]Cc2cc(=O)oc3c(C)c(O)ccc23)cc1 ZINC000183680705 822510246 /nfs/dbraw/zinc/51/02/46/822510246.db2.gz XDJZFSBZHXVNBV-HNNXBMFYSA-N 1 0 389.455 4.152 20 0 GIADRO Cc1ccc(CN(C(=O)C[NH2+][C@H](C)c2ccc(OC(F)F)cc2)C2CC2)o1 ZINC000179600042 822510295 /nfs/dbraw/zinc/51/02/95/822510295.db2.gz LRIMYKWDDTWJKC-CQSZACIVSA-N 1 0 378.419 4.031 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1ccc(N2CCCC2)cc1)c1ccc(OC(F)F)cc1 ZINC000179600579 822510511 /nfs/dbraw/zinc/51/05/11/822510511.db2.gz UTLSBDKZYIIEPY-HNNXBMFYSA-N 1 0 389.446 4.178 20 0 GIADRO CC(C)Oc1ccc(C(=O)NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000046736848 822511328 /nfs/dbraw/zinc/51/13/28/822511328.db2.gz PLSWFIVSSYCHHY-OALUTQOASA-N 1 0 396.531 4.013 20 0 GIADRO CCc1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000183688114 822511506 /nfs/dbraw/zinc/51/15/06/822511506.db2.gz AHWCOJPIYMNZJN-IAGOWNOFSA-N 1 0 376.504 4.421 20 0 GIADRO CC1CC[NH+](CCCCNC(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000046738216 822511611 /nfs/dbraw/zinc/51/16/11/822511611.db2.gz DRFXWAHMHKWDIX-UHFFFAOYSA-N 1 0 396.373 4.103 20 0 GIADRO CC(C)c1noc2nc(C3CC3)cc(C(=O)NCc3ccccc3C[NH+](C)C)c21 ZINC000046741963 822511979 /nfs/dbraw/zinc/51/19/79/822511979.db2.gz JKFFZLWEHOJLBD-UHFFFAOYSA-N 1 0 392.503 4.215 20 0 GIADRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)Nc1cccc(NC(=O)c2ccoc2)c1 ZINC000454655401 822512627 /nfs/dbraw/zinc/51/26/27/822512627.db2.gz QOIXMDMPKDGKMV-FQEVSTJZSA-N 1 0 398.507 4.164 20 0 GIADRO CCOc1ccc([C@H](C)NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)cc1OC ZINC000046750894 822512875 /nfs/dbraw/zinc/51/28/75/822512875.db2.gz QLODCVQZYVWBQY-ROUUACIJSA-N 1 0 391.556 4.109 20 0 GIADRO Cc1csc(Sc2ccc(NC(=O)N3C[C@H]4CC[N@@H+](C)[C@H]4C3)c(C)c2)n1 ZINC000454657350 822513084 /nfs/dbraw/zinc/51/30/84/822513084.db2.gz GAXCUGVVXHGRJD-PBHICJAKSA-N 1 0 388.562 4.079 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N(C)Cc1ccc(Br)cc1 ZINC000046751327 822513129 /nfs/dbraw/zinc/51/31/29/822513129.db2.gz RPLMCEPXQDRCOV-INIZCTEOSA-N 1 0 396.373 4.245 20 0 GIADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)N(C)Cc2ccccc2Br)C1 ZINC000046752859 822513261 /nfs/dbraw/zinc/51/32/61/822513261.db2.gz UXNFWVHNLFLYNS-MRXNPFEDSA-N 1 0 396.373 4.103 20 0 GIADRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N(C)Cc2ccc(OC(F)F)cc2)C1 ZINC000046762372 822514516 /nfs/dbraw/zinc/51/45/16/822514516.db2.gz BZNLTSKKXNNZKQ-IRXDYDNUSA-N 1 0 397.510 4.188 20 0 GIADRO CCN(CC)C(=O)c1ccc(NC(=O)C[NH2+][C@@H](C)c2cccc(C)c2C)cc1 ZINC000183711836 822515337 /nfs/dbraw/zinc/51/53/37/822515337.db2.gz WFKHRZWZFNEOJW-SFHVURJKSA-N 1 0 381.520 4.075 20 0 GIADRO COc1ccccc1N1CC[C@H]([NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)C1 ZINC000183713180 822515600 /nfs/dbraw/zinc/51/56/00/822515600.db2.gz KDBOESPKICOBNH-CVDCTZTESA-N 1 0 377.463 4.187 20 0 GIADRO Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+]Cc2cncc(Br)c2)cc1 ZINC000183723953 822517058 /nfs/dbraw/zinc/51/70/58/822517058.db2.gz ADPDPKDZUYXXAO-MJGOQNOKSA-N 1 0 375.310 4.410 20 0 GIADRO CCCc1noc2nc(C3CC3)cc(C(=O)Nc3cccc(C[NH+](C)C)c3)c12 ZINC000046785929 822517259 /nfs/dbraw/zinc/51/72/59/822517259.db2.gz FWUWTFPDEQZHHE-UHFFFAOYSA-N 1 0 378.476 4.367 20 0 GIADRO CCOc1cc(NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)ccc1C ZINC000454691220 822517925 /nfs/dbraw/zinc/51/79/25/822517925.db2.gz QUYJXSNQPKCUOU-UHFFFAOYSA-N 1 0 387.446 4.274 20 0 GIADRO CC[C@@H]([NH2+]Cc1ccc(N2CCOC2=O)cc1)c1ccccc1OC(F)F ZINC000183737620 822519434 /nfs/dbraw/zinc/51/94/34/822519434.db2.gz CKIGQVJFDWAEKH-QGZVFWFLSA-N 1 0 376.403 4.486 20 0 GIADRO COc1ccc(CCC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)cc1F ZINC000046809859 822519680 /nfs/dbraw/zinc/51/96/80/822519680.db2.gz AOMGQPCANDGVEN-SFHVURJKSA-N 1 0 398.522 4.458 20 0 GIADRO CC(=O)Nc1cc(C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)ccc1C ZINC000046812629 822520254 /nfs/dbraw/zinc/52/02/54/822520254.db2.gz SAPABNYYYDJLKI-UHFFFAOYSA-N 1 0 393.531 4.115 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1)C(=O)Nc1cccnc1Cl ZINC000046818021 822520997 /nfs/dbraw/zinc/52/09/97/822520997.db2.gz YRHWCYOJEMQAPL-QWRGUYRKSA-N 1 0 387.789 4.311 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)N[C@H]2CCCC[C@H]2CC(F)(F)F)cc1F ZINC000454724947 822523727 /nfs/dbraw/zinc/52/37/27/822523727.db2.gz CPUNVFJYFSZENL-YOEHRIQHSA-N 1 0 389.437 4.198 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H](C)c1cccc(OC(C)C)c1 ZINC000179670727 822523803 /nfs/dbraw/zinc/52/38/03/822523803.db2.gz MZMDBNYBVMCQBC-AWEZNQCLSA-N 1 0 376.884 4.425 20 0 GIADRO COc1cccc([C@@H]2[C@H](NC(=O)Nc3cc(F)ccc3C)CC[N@@H+]2C2CC2)c1 ZINC000183762771 822524249 /nfs/dbraw/zinc/52/42/49/822524249.db2.gz XKVUHHHGZSVGFQ-TZIWHRDSSA-N 1 0 383.467 4.242 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3cnc(-c4ccccc4)s3)cc2)CC1 ZINC000046879111 822526048 /nfs/dbraw/zinc/52/60/48/822526048.db2.gz ZZQRXUBXKDPOIF-UHFFFAOYSA-N 1 0 392.528 4.204 20 0 GIADRO Cc1ccc(NCc2cccc(OC(F)F)c2)cc1NC(=O)CC[NH+](C)C ZINC000183775148 822526692 /nfs/dbraw/zinc/52/66/92/822526692.db2.gz VWKJCXANIGFBMG-UHFFFAOYSA-N 1 0 377.435 4.099 20 0 GIADRO Cc1csc(CNC(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000454743354 822526772 /nfs/dbraw/zinc/52/67/72/822526772.db2.gz UNZMOQCYOHNULX-KBXCAEBGSA-N 1 0 395.931 4.341 20 0 GIADRO CCCN(CCc1cccs1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000183775617 822526784 /nfs/dbraw/zinc/52/67/84/822526784.db2.gz FBMSMUWABCGXOQ-SFHVURJKSA-N 1 0 375.538 4.142 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)c1ccccc1C(F)(F)F ZINC000046890390 822526833 /nfs/dbraw/zinc/52/68/33/822526833.db2.gz UOTGKFKBBWCEHC-UHFFFAOYSA-N 1 0 394.437 4.356 20 0 GIADRO Cc1ccc(-c2ncc(C[NH+]3CCC(C(=O)N4CCCCC4)CC3)s2)cc1 ZINC000179688298 822527804 /nfs/dbraw/zinc/52/78/04/822527804.db2.gz KCWGYSFXNMBLDE-UHFFFAOYSA-N 1 0 383.561 4.343 20 0 GIADRO COC(=O)c1oc(CN[C@H](C)c2cccc(OCc3ccccn3)c2)cc1C ZINC000179693035 822528669 /nfs/dbraw/zinc/52/86/69/822528669.db2.gz YUWPJMAMYVDLCT-MRXNPFEDSA-N 1 0 380.444 4.199 20 0 GIADRO CC[C@H](NC(=O)N1CCC(CCC[NH+](CC)CC)CC1)c1nc(C)cs1 ZINC000183795696 822528944 /nfs/dbraw/zinc/52/89/44/822528944.db2.gz HXBVVDPGQKKRIV-SFHVURJKSA-N 1 0 380.602 4.446 20 0 GIADRO CC(=O)Oc1ccc(C[NH2+][C@H](C)c2cccc(OCc3ccccn3)c2)cc1 ZINC000179697384 822529735 /nfs/dbraw/zinc/52/97/35/822529735.db2.gz WPXQCJUNFRFWQB-QGZVFWFLSA-N 1 0 376.456 4.437 20 0 GIADRO C[C@H](NC(=O)N1CCC(F)(Cc2ccc(Cl)cc2)CC1)C1=CC[N@H+](C)CC1 ZINC000454766274 822530188 /nfs/dbraw/zinc/53/01/88/822530188.db2.gz GPIRPVUNPFDWRE-INIZCTEOSA-N 1 0 393.934 4.047 20 0 GIADRO CSCC1CCC(NC(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000454767514 822530327 /nfs/dbraw/zinc/53/03/27/822530327.db2.gz KYOFABWTAHVJMQ-RCKXYERXSA-N 1 0 389.609 4.118 20 0 GIADRO COc1cc(C[NH2+]Cc2cc3cc(Br)ccc3[nH]2)cc(OC)c1 ZINC000183820656 822531827 /nfs/dbraw/zinc/53/18/27/822531827.db2.gz ZJMSTPNRXVBXAL-UHFFFAOYSA-N 1 0 375.266 4.237 20 0 GIADRO COc1ccc(CC(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1OC ZINC000046934204 822532360 /nfs/dbraw/zinc/53/23/60/822532360.db2.gz QMAKZGCBQUTMKX-QGZVFWFLSA-N 1 0 382.504 4.117 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)CCCNC(=O)c3ccccc3)cc2)C1 ZINC000046934681 822532597 /nfs/dbraw/zinc/53/25/97/822532597.db2.gz BZAKHGKIAJDDPF-IBGZPJMESA-N 1 0 393.531 4.067 20 0 GIADRO C[C@H](NC(=O)NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)C1=CC[N@H+](C)CC1 ZINC000454780677 822532746 /nfs/dbraw/zinc/53/27/46/822532746.db2.gz USXINXZNDVXSBE-RVSPLBMKSA-N 1 0 382.335 4.047 20 0 GIADRO C[C@@H](CNC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)[N@@H+]1CCC[C@H](C)C1 ZINC000046952420 822533659 /nfs/dbraw/zinc/53/36/59/822533659.db2.gz MMSYAMDOIFPMCT-HOTGVXAUSA-N 1 0 389.927 4.164 20 0 GIADRO CC[N@H+](Cc1cccs1)Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2 ZINC000179720031 822534981 /nfs/dbraw/zinc/53/49/81/822534981.db2.gz DTYFZEIGGABORJ-UHFFFAOYSA-N 1 0 383.517 4.332 20 0 GIADRO CC[C@H]([NH2+]CC(=O)N[C@H](C)c1ccccc1OC)c1ccccc1OC(F)F ZINC000179722413 822535355 /nfs/dbraw/zinc/53/53/55/822535355.db2.gz PGYINJNBPMTQOF-PBHICJAKSA-N 1 0 392.446 4.215 20 0 GIADRO Cc1ccc(-c2nn(Cc3ccccc3)cc2C[NH+]2CCC(C)(O)CC2)cc1 ZINC000179724749 822535717 /nfs/dbraw/zinc/53/57/17/822535717.db2.gz NRMVSIWRJGOBPY-UHFFFAOYSA-N 1 0 375.516 4.254 20 0 GIADRO Cc1oc(-c2cccs2)nc1CC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000046988397 822536081 /nfs/dbraw/zinc/53/60/81/822536081.db2.gz OVAKNSYEIKCJIT-HNNXBMFYSA-N 1 0 375.538 4.025 20 0 GIADRO CC[C@@H](C)[NH+]1CCN(C(=O)Nc2cccc(CSC3CCOCC3)c2)CC1 ZINC000454799485 822536252 /nfs/dbraw/zinc/53/62/52/822536252.db2.gz HTJJRZRKPRBFRH-QGZVFWFLSA-N 1 0 391.581 4.047 20 0 GIADRO COC(=O)COc1ccccc1[C@H](C)[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000183855873 822536595 /nfs/dbraw/zinc/53/65/95/822536595.db2.gz APOVFIFJPAWIAY-KBXCAEBGSA-N 1 0 389.879 4.456 20 0 GIADRO CCc1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179729025 822536698 /nfs/dbraw/zinc/53/66/98/822536698.db2.gz UFXMOHNBOKTKSG-QRQCRPRQSA-N 1 0 380.488 4.088 20 0 GIADRO CC[C@@H]([NH2+]Cc1cc(F)cc2cccnc21)c1ccccc1OCC(=O)N(C)C ZINC000179730696 822537046 /nfs/dbraw/zinc/53/70/46/822537046.db2.gz WKFGDKLSIPZSII-HXUWFJFHSA-N 1 0 395.478 4.082 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)Cc2csc(-c3ccccc3)n2)C1 ZINC000047039662 822539128 /nfs/dbraw/zinc/53/91/28/822539128.db2.gz HCQWMDJMQVHLFR-HDICACEKSA-N 1 0 385.577 4.227 20 0 GIADRO Cc1ccc(-c2cnc(CCC(=O)NCCCC[NH+]3C[C@H](C)C[C@@H](C)C3)o2)cc1 ZINC000047039191 822539201 /nfs/dbraw/zinc/53/92/01/822539201.db2.gz XVRMEWKJTIYYLZ-WOJBJXKFSA-N 1 0 397.563 4.457 20 0 GIADRO c1coc(COCc2cccc(NC3CC[NH+](Cc4ccccn4)CC3)c2)c1 ZINC000179738062 822539412 /nfs/dbraw/zinc/53/94/12/822539412.db2.gz OGHGSBVFTFGXIA-UHFFFAOYSA-N 1 0 377.488 4.468 20 0 GIADRO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000179739030 822539678 /nfs/dbraw/zinc/53/96/78/822539678.db2.gz ASPZRXDUOJCYPL-SFHVURJKSA-N 1 0 397.519 4.007 20 0 GIADRO Cc1ccc(NC(=O)Nc2ccc([C@@H]3CCOC3)cc2)c(OCC[NH+](C)C)c1 ZINC000454835768 822543298 /nfs/dbraw/zinc/54/32/98/822543298.db2.gz JTPBZPFAPZQSQY-GOSISDBHSA-N 1 0 383.492 4.083 20 0 GIADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc2ncccc2c1 ZINC000179755649 822543876 /nfs/dbraw/zinc/54/38/76/822543876.db2.gz HDHUOYLEQNDZNT-OAQYLSRUSA-N 1 0 389.499 4.067 20 0 GIADRO O=C(C[NH2+][C@H](CCCO)c1ccccc1)N[C@H](c1ccccc1)C1CCCC1 ZINC000179756147 822544045 /nfs/dbraw/zinc/54/40/45/822544045.db2.gz GURWFWRTLWXNKP-ISKFKSNPSA-N 1 0 380.532 4.138 20 0 GIADRO Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000179760884 822545394 /nfs/dbraw/zinc/54/53/94/822545394.db2.gz ORVQFROJTINDNA-LAUBAEHRSA-N 1 0 396.535 4.382 20 0 GIADRO CC(C)c1cnc(C[NH2+]C[C@@H](CO)Cc2ccc(OC(F)(F)F)cc2)s1 ZINC000183915811 822545525 /nfs/dbraw/zinc/54/55/25/822545525.db2.gz CIQVIJRKWIZJTF-AWEZNQCLSA-N 1 0 388.455 4.106 20 0 GIADRO Cc1cccc(C2=CCN(C(=O)NCC3CCN(c4cc[nH+]cc4)CC3)CC2)c1 ZINC000179761402 822545808 /nfs/dbraw/zinc/54/58/08/822545808.db2.gz BSKUFAWYPLXEQC-UHFFFAOYSA-N 1 0 390.531 4.105 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1cccc2ccccc21)c1ccc(NC(=O)C2CC2)cc1 ZINC000179766235 822547701 /nfs/dbraw/zinc/54/77/01/822547701.db2.gz LNPUHIUCAMVXOO-MRXNPFEDSA-N 1 0 387.483 4.478 20 0 GIADRO Cc1ccc([C@@H](C)NC(=O)C[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1C ZINC000179773216 822549828 /nfs/dbraw/zinc/54/98/28/822549828.db2.gz NBNSPDWDVHDKSQ-QZTJIDSGSA-N 1 0 393.531 4.180 20 0 GIADRO CC(C)[C@H](NC(=O)C[NH2+][C@H](C)c1ccc(NC(=O)C2CC2)cc1)c1ccccc1 ZINC000179773506 822550013 /nfs/dbraw/zinc/55/00/13/822550013.db2.gz PMGNJYSMJGRLBR-HXOBKFHXSA-N 1 0 393.531 4.199 20 0 GIADRO CC[NH+]1CCN(c2ccccc2N[C@@H](C)c2ccc(OC)c(COC)c2)CC1 ZINC000179775873 822550435 /nfs/dbraw/zinc/55/04/35/822550435.db2.gz FTOKPKZIUGHFSF-SFHVURJKSA-N 1 0 383.536 4.157 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ncccc1C(F)(F)F ZINC000179781167 822551752 /nfs/dbraw/zinc/55/17/52/822551752.db2.gz ALFYQQNWZCRCOR-UHFFFAOYSA-N 1 0 377.410 4.016 20 0 GIADRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)C1 ZINC000047187826 822552555 /nfs/dbraw/zinc/55/25/55/822552555.db2.gz XZAILBPORCMFPQ-IBGZPJMESA-N 1 0 393.531 4.181 20 0 GIADRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2ccc(NC(=O)c3cccs3)cc2)C1 ZINC000047187876 822552620 /nfs/dbraw/zinc/55/26/20/822552620.db2.gz VYBWFSWOAALGJP-KRWDZBQOSA-N 1 0 399.560 4.242 20 0 GIADRO CCCCN(C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C)[C@@H]1CCC[C@H](C)C1 ZINC000454897067 822552680 /nfs/dbraw/zinc/55/26/80/822552680.db2.gz XPBDCBFKKHCGNS-QFBILLFUSA-N 1 0 388.556 4.060 20 0 GIADRO CCC(CC)[C@@H]([NH2+]CC(=O)Nc1ccc(C(=O)N(C)C)cc1)c1ccccc1 ZINC000179786567 822552890 /nfs/dbraw/zinc/55/28/90/822552890.db2.gz LZKJURMNAQONHR-JOCHJYFZSA-N 1 0 381.520 4.094 20 0 GIADRO Cc1cnc(C(C)(C)[NH2+]CCCCCCN2C(=O)c3ccccc3C2=O)s1 ZINC000183960897 822554256 /nfs/dbraw/zinc/55/42/56/822554256.db2.gz WYZJDHXJNSPLFZ-UHFFFAOYSA-N 1 0 385.533 4.133 20 0 GIADRO COc1cccc(C2CC[NH+](Cc3c(C)nn(C)c3OCC(F)(F)F)CC2)c1 ZINC000179801313 822555563 /nfs/dbraw/zinc/55/55/63/822555563.db2.gz ZUZVEHKUQULRCH-UHFFFAOYSA-N 1 0 397.441 4.058 20 0 GIADRO C[C@@H]1CCC[C@H]([NH+]2CCC(Nc3ccc(CN4C(=O)CCCC4=O)cc3)CC2)C1 ZINC000183972099 822555907 /nfs/dbraw/zinc/55/59/07/822555907.db2.gz OOHZTNMSIQYMHX-GCJKJVERSA-N 1 0 397.563 4.181 20 0 GIADRO C[C@H]1CCC[C@@H]([NH+]2CCC(Nc3ccc(CN4C(=O)CCCC4=O)cc3)CC2)C1 ZINC000183972150 822556086 /nfs/dbraw/zinc/55/60/86/822556086.db2.gz OOHZTNMSIQYMHX-PGRDOPGGSA-N 1 0 397.563 4.181 20 0 GIADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCC[C@H]1CCCCO1 ZINC000183986969 822558396 /nfs/dbraw/zinc/55/83/96/822558396.db2.gz FRGLPARYUDZYPL-RHSMWYFYSA-N 1 0 383.330 4.105 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(-n3ncc4ccccc43)cc2)C1 ZINC000183988720 822558919 /nfs/dbraw/zinc/55/89/19/822558919.db2.gz KERDULLODKJWJN-SFHVURJKSA-N 1 0 391.519 4.221 20 0 GIADRO CC(C)([NH2+]CC(=O)Nc1ccc(F)cc1F)c1ccc(Br)cc1 ZINC000047258139 822559318 /nfs/dbraw/zinc/55/93/18/822559318.db2.gz BUYSGPHQSFNZME-UHFFFAOYSA-N 1 0 383.236 4.191 20 0 GIADRO O=C(C1CC[NH+](Cc2cccc(OCc3ccc(F)cc3)c2)CC1)N1CCCC1 ZINC000179820408 822559348 /nfs/dbraw/zinc/55/93/48/822559348.db2.gz CUQWXZNEFQQJMW-UHFFFAOYSA-N 1 0 396.506 4.239 20 0 GIADRO CC(=O)N(c1nc(C[NH2+][C@H](C)C2CCOCC2)cs1)c1ccc(C)cc1C ZINC000179836278 822563336 /nfs/dbraw/zinc/56/33/36/822563336.db2.gz UWVRTUZCPYXOLF-MRXNPFEDSA-N 1 0 387.549 4.349 20 0 GIADRO Cn1nccc1CC[NH2+][C@@H](c1ccccc1)c1ccc(Br)cc1F ZINC000184010112 822563358 /nfs/dbraw/zinc/56/33/58/822563358.db2.gz PKIRSJARGTTYIL-IBGZPJMESA-N 1 0 388.284 4.243 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1[nH]c2ccccc2c1Br)c1ccsc1 ZINC000047305388 822563862 /nfs/dbraw/zinc/56/38/62/822563862.db2.gz FBRXHZWBQVUBJH-AWEZNQCLSA-N 1 0 392.322 4.025 20 0 GIADRO C[C@H](CC(=O)NCC1([NH+]2CCCCC2)CCOCC1)Cc1ccc(Cl)cc1 ZINC000179840464 822564149 /nfs/dbraw/zinc/56/41/49/822564149.db2.gz QPHXYUIVWRASBE-SFHVURJKSA-N 1 0 392.971 4.060 20 0 GIADRO CCOc1cc(Br)ccc1NC(=O)NC(C)(C)CCC[NH+](C)C ZINC000454978415 822565514 /nfs/dbraw/zinc/56/55/14/822565514.db2.gz SXMKCPBUOPHZOY-UHFFFAOYSA-N 1 0 386.334 4.090 20 0 GIADRO Cc1cc(NC(=O)C2CC[NH+](Cc3cccc(OC4CCCC4)c3)CC2)no1 ZINC000179855579 822567055 /nfs/dbraw/zinc/56/70/55/822567055.db2.gz UFHAOEVGZGQILT-UHFFFAOYSA-N 1 0 383.492 4.155 20 0 GIADRO Cc1sc2[nH]c(C[NH2+][C@H](C)C3CCOCC3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000179862375 822567984 /nfs/dbraw/zinc/56/79/84/822567984.db2.gz IXELZLCYRJSYNW-CQSZACIVSA-N 1 0 397.544 4.173 20 0 GIADRO Cc1cc(N(C)C)cc(C)c1NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000455011028 822570226 /nfs/dbraw/zinc/57/02/26/822570226.db2.gz OBCYGGNEXRWXPB-SFHVURJKSA-N 1 0 394.563 4.355 20 0 GIADRO Cc1ccnc(Oc2cc(NC(=O)N3C[C@@H]4CCC[N@H+]4C[C@@H]3C)ccc2C)c1 ZINC000179881752 822570952 /nfs/dbraw/zinc/57/09/52/822570952.db2.gz BSWPSWOUIAVOCK-HKUYNNGSSA-N 1 0 380.492 4.191 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N(C)[C@@H](C)c1ccccc1F ZINC000047366945 822571177 /nfs/dbraw/zinc/57/11/77/822571177.db2.gz DNDXIRPWBQJCHW-KRWDZBQOSA-N 1 0 384.499 4.111 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)c2csc(-c3ccccn3)n2)CC1 ZINC000184070476 822574002 /nfs/dbraw/zinc/57/40/02/822574002.db2.gz CDZJJFQJQIKDSK-UHFFFAOYSA-N 1 0 386.565 4.179 20 0 GIADRO CCOc1cc(C[N@H+](C)[C@@H]2CCc3ccccc32)ccc1O[C@@H](C)C(=O)N(C)C ZINC000179906456 822574553 /nfs/dbraw/zinc/57/45/53/822574553.db2.gz JBUHFTMKTOZEQK-LAUBAEHRSA-N 1 0 396.531 4.060 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)CC1 ZINC000184081826 822575057 /nfs/dbraw/zinc/57/50/57/822575057.db2.gz LQRYHFVFYNGGKZ-QZTJIDSGSA-N 1 0 378.507 4.429 20 0 GIADRO O=C(Nc1ccccc1OCC(F)(F)F)N1CCC([NH+]2CCCCC2)CC1 ZINC000047398669 822575069 /nfs/dbraw/zinc/57/50/69/822575069.db2.gz GMBYCRVVPFOXBS-UHFFFAOYSA-N 1 0 385.430 4.110 20 0 GIADRO CC1CC[NH+](Cc2ccc(NC(=O)CCc3nc4ccccc4[nH]3)cc2)CC1 ZINC000047402104 822575607 /nfs/dbraw/zinc/57/56/07/822575607.db2.gz QZNXMBYRWFJMON-UHFFFAOYSA-N 1 0 376.504 4.366 20 0 GIADRO COc1ccc([C@H](C)C[NH+]2CCC(C(=O)NCc3ccc(C)cc3)CC2)cc1 ZINC000179913521 822575886 /nfs/dbraw/zinc/57/58/86/822575886.db2.gz AYWHPKFKORCAOE-LJQANCHMSA-N 1 0 380.532 4.136 20 0 GIADRO C[C@@H]([NH2+]CCCc1nc(-c2ccc(F)cc2)no1)c1ccc(-n2ccnc2)cc1 ZINC000184091019 822576503 /nfs/dbraw/zinc/57/65/03/822576503.db2.gz DMDCSBWDFBEHEG-MRXNPFEDSA-N 1 0 391.450 4.345 20 0 GIADRO C/C(=C\c1c(Cl)cccc1Cl)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000184091096 822576541 /nfs/dbraw/zinc/57/65/41/822576541.db2.gz ZPTACQIEVGWATR-GOFCXVBSSA-N 1 0 397.346 4.014 20 0 GIADRO C[C@@H](F)CCNC(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000455036013 822576845 /nfs/dbraw/zinc/57/68/45/822576845.db2.gz HBSJSHDVUTXHIC-YLJYHZDGSA-N 1 0 375.532 4.067 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)c2cnc3onc(C(C)C)c3c2)CC1 ZINC000184097385 822577625 /nfs/dbraw/zinc/57/76/25/822577625.db2.gz QINUUKTXPZBPCM-UHFFFAOYSA-N 1 0 386.540 4.320 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)c2sccc2Br)CC1 ZINC000184100935 822578019 /nfs/dbraw/zinc/57/80/19/822578019.db2.gz MNSAKURBPQKTJM-UHFFFAOYSA-N 1 0 387.387 4.485 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)c2cc(C3CC3)n(C(C)(C)C)n2)CC1 ZINC000184109529 822579481 /nfs/dbraw/zinc/57/94/81/822579481.db2.gz HWTMPQMDSSYHRU-UHFFFAOYSA-N 1 0 388.600 4.490 20 0 GIADRO COc1cccc([C@@H](CNC(=O)c2cc(-c3ccccc3Cl)on2)[NH+](C)C)c1 ZINC000047442397 822579591 /nfs/dbraw/zinc/57/95/91/822579591.db2.gz OAUAXBOVXCNXIZ-LJQANCHMSA-N 1 0 399.878 4.036 20 0 GIADRO COc1ccc(OCc2nc(C[NH2+]C[C@H](C)c3nc(C)cs3)cs2)cc1 ZINC000184111170 822579653 /nfs/dbraw/zinc/57/96/53/822579653.db2.gz VZQADIGSQVFJRZ-ZDUSSCGKSA-N 1 0 389.546 4.389 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1cc(-c2ccccc2Cl)on1)c1ccsc1 ZINC000047446927 822580354 /nfs/dbraw/zinc/58/03/54/822580354.db2.gz APTLRPWMVGNZSG-MRXNPFEDSA-N 1 0 375.881 4.089 20 0 GIADRO CCC[N@H+](Cc1cn(C)nc1C(C)(C)C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000179935731 822580411 /nfs/dbraw/zinc/58/04/11/822580411.db2.gz YDSOIVSKVZZHPZ-UHFFFAOYSA-N 1 0 396.579 4.234 20 0 GIADRO Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000047453065 822580919 /nfs/dbraw/zinc/58/09/19/822580919.db2.gz JINUFDGOYANIFS-UHFFFAOYSA-N 1 0 382.895 4.207 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)COc2ccc(Br)cc2Cl)c1 ZINC000047453371 822581060 /nfs/dbraw/zinc/58/10/60/822581060.db2.gz VTNXYVZKLWPODW-UHFFFAOYSA-N 1 0 397.700 4.182 20 0 GIADRO CCCC(=O)Nc1ccc(Cl)c(NC(=O)NCCCC[N@H+](C)C2CC2)c1 ZINC000455052679 822581136 /nfs/dbraw/zinc/58/11/36/822581136.db2.gz OUZXSCVAMGAIBK-UHFFFAOYSA-N 1 0 380.920 4.075 20 0 GIADRO CCc1nocc1CN(C)C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000455055224 822581533 /nfs/dbraw/zinc/58/15/33/822581533.db2.gz KIYBJZVDGGQHGO-UHFFFAOYSA-N 1 0 384.524 4.175 20 0 GIADRO CCn1ccnc1[C@@H](C)NC(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000455058555 822582362 /nfs/dbraw/zinc/58/23/62/822582362.db2.gz MSHCSWUHZZHVMW-GOSISDBHSA-N 1 0 383.540 4.060 20 0 GIADRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000184136059 822584119 /nfs/dbraw/zinc/58/41/19/822584119.db2.gz PTDIHNXRKAIWGD-UHFFFAOYSA-N 1 0 395.507 4.197 20 0 GIADRO O=C(CCC(=O)c1ccc2c(c1)CCC2)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000047495724 822584197 /nfs/dbraw/zinc/58/41/97/822584197.db2.gz PHKCBFLMEASRRM-UHFFFAOYSA-N 1 0 390.527 4.050 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1ccc(Cl)cc1C(F)(F)F ZINC000184136775 822584300 /nfs/dbraw/zinc/58/43/00/822584300.db2.gz ZBMVUCIRSRHDFU-UHFFFAOYSA-N 1 0 397.828 4.148 20 0 GIADRO O=C(Nc1cccc(OCC(F)(F)F)c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000047506472 822585322 /nfs/dbraw/zinc/58/53/22/822585322.db2.gz DCCVICTWCNMEGH-UHFFFAOYSA-N 1 0 385.430 4.110 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)NCc2c(F)cc(F)cc2F)[C@H]1c1cccs1 ZINC000455075432 822585614 /nfs/dbraw/zinc/58/56/14/822585614.db2.gz FEQIIHYGOIXNHC-SGTLLEGYSA-N 1 0 397.466 4.048 20 0 GIADRO CC(C)[N@@H+](Cc1ccc(NC(=O)N2CCC[C@H]2CF)cc1)C[C@H]1CCCCO1 ZINC000455079613 822586381 /nfs/dbraw/zinc/58/63/81/822586381.db2.gz TZCRVNZTRMSMQP-LEWJYISDSA-N 1 0 391.531 4.432 20 0 GIADRO C[C@H]([NH2+]Cc1cc(=O)n2ccccc2n1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000179966234 822587092 /nfs/dbraw/zinc/58/70/92/822587092.db2.gz IEXHRGZHDQUMSI-INIZCTEOSA-N 1 0 389.430 4.477 20 0 GIADRO Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)CC1(C[NH3+])CCCCC1 ZINC000184158596 822587729 /nfs/dbraw/zinc/58/77/29/822587729.db2.gz BNGJMPXAXWLWRY-UHFFFAOYSA-N 1 0 379.504 4.485 20 0 GIADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)Nc3cc(F)c(OC(C)(C)C)c(F)c3)C2)C1 ZINC000455099627 822588684 /nfs/dbraw/zinc/58/86/84/822588684.db2.gz GKIVZKUWKJIULL-FQEVSTJZSA-N 1 0 381.467 4.092 20 0 GIADRO Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)CC1(C[NH3+])CCCCC1 ZINC000184168820 822589742 /nfs/dbraw/zinc/58/97/42/822589742.db2.gz CCMPSUSQVLIAGX-SFHVURJKSA-N 1 0 385.552 4.247 20 0 GIADRO O=C(NCCCCC[NH+]1CCCC1)N1CCC(Oc2ccccc2Cl)CC1 ZINC000455113168 822590684 /nfs/dbraw/zinc/59/06/84/822590684.db2.gz KQJMYGWCBBREFI-UHFFFAOYSA-N 1 0 393.959 4.159 20 0 GIADRO Fc1ccc(-c2noc(CCC[NH2+]Cc3c[nH]nc3-c3ccc(F)cc3)n2)cc1 ZINC000184174064 822590784 /nfs/dbraw/zinc/59/07/84/822590784.db2.gz IFAYHOYKOLFOFU-UHFFFAOYSA-N 1 0 395.413 4.127 20 0 GIADRO C[C@@H](c1ccccc1Br)N(C)C(=O)NCCCCC[NH+]1CCCC1 ZINC000455114003 822590932 /nfs/dbraw/zinc/59/09/32/822590932.db2.gz KVHNWSBUHBFLGH-INIZCTEOSA-N 1 0 396.373 4.418 20 0 GIADRO COc1ccc(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1OC(C)C ZINC000184180960 822592083 /nfs/dbraw/zinc/59/20/83/822592083.db2.gz VLQKVQHVHLNJBE-UHFFFAOYSA-N 1 0 397.519 4.269 20 0 GIADRO CC(F)(F)CCCNC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000455124363 822592580 /nfs/dbraw/zinc/59/25/80/822592580.db2.gz CXTYRADERJDYEP-OAQYLSRUSA-N 1 0 379.495 4.120 20 0 GIADRO CC(F)(F)CCCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000455126864 822593069 /nfs/dbraw/zinc/59/30/69/822593069.db2.gz MSOMYHQPWJVNFX-RBUKOAKNSA-N 1 0 379.495 4.118 20 0 GIADRO Cc1ccccc1COc1ccc([C@H](C)[NH2+]C[C@H]2COC3(CCOCC3)O2)cc1 ZINC000179998897 822593200 /nfs/dbraw/zinc/59/32/00/822593200.db2.gz LYVFEGVHKAWUIT-CVDCTZTESA-N 1 0 397.515 4.147 20 0 GIADRO CN(C)S(=O)(=O)c1ccccc1C[NH2+][C@@H](c1ccccc1F)C1CCCC1 ZINC000180003763 822594016 /nfs/dbraw/zinc/59/40/16/822594016.db2.gz LBVGDTAGIKGCKL-OAQYLSRUSA-N 1 0 390.524 4.097 20 0 GIADRO C[C@@H]([NH2+]CCc1nccn1Cc1ccccc1)c1nc2ccc(Cl)cc2n1C ZINC000180005689 822594351 /nfs/dbraw/zinc/59/43/51/822594351.db2.gz VMWCXHCRJHKGNS-MRXNPFEDSA-N 1 0 393.922 4.365 20 0 GIADRO Cc1[nH]c2ccccc2c1C(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000047588568 822594654 /nfs/dbraw/zinc/59/46/54/822594654.db2.gz ZPYNDYCSEQWVMN-IRXDYDNUSA-N 1 0 391.515 4.016 20 0 GIADRO CC(C)[C@H]([NH2+]Cc1cccnc1N1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000180008814 822595129 /nfs/dbraw/zinc/59/51/29/822595129.db2.gz GJPVUYFSMAAMHM-IBGZPJMESA-N 1 0 393.453 4.424 20 0 GIADRO CC(C)(CNC(=O)Nc1cccc(COCc2ccco2)c1)[NH+]1CCCCC1 ZINC000047602776 822595738 /nfs/dbraw/zinc/59/57/38/822595738.db2.gz DIBFXAJDVKJZAB-UHFFFAOYSA-N 1 0 385.508 4.382 20 0 GIADRO C[C@H]([NH2+]C[C@H]1COC2(CCCCCC2)O1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000180010973 822595962 /nfs/dbraw/zinc/59/59/62/822595962.db2.gz PAOOCEHSMVZQQI-JXFKEZNVSA-N 1 0 387.524 4.087 20 0 GIADRO CCOc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(OCC)c(OC)c2)cc1 ZINC000047608832 822596322 /nfs/dbraw/zinc/59/63/22/822596322.db2.gz VESCDNKMFNANGJ-HOTGVXAUSA-N 1 0 386.492 4.170 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(F)c(F)c2)cc1OC ZINC000047609056 822596495 /nfs/dbraw/zinc/59/64/95/822596495.db2.gz ILBSDIBKMWQNQL-QWHCGFSZSA-N 1 0 378.419 4.050 20 0 GIADRO COc1cc([C@@H](C)[NH2+]Cc2ccc(-n3cncn3)c(F)c2)ccc1OCC(C)C ZINC000047609998 822596743 /nfs/dbraw/zinc/59/67/43/822596743.db2.gz KUNDECAAUAHYIF-MRXNPFEDSA-N 1 0 398.482 4.301 20 0 GIADRO CNC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]2C[C@H]2C)c1 ZINC000180016862 822597239 /nfs/dbraw/zinc/59/72/39/822597239.db2.gz PFDNBECUPNANIZ-RYMBOPBQSA-N 1 0 399.922 4.014 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]2C[C@H]2C)c1 ZINC000180017275 822597464 /nfs/dbraw/zinc/59/74/64/822597464.db2.gz XTPYRSHMWPEDKO-QKAVXHIFSA-N 1 0 388.895 4.283 20 0 GIADRO Cc1ccc(N2CCOC2=O)cc1N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000180023759 822598985 /nfs/dbraw/zinc/59/89/85/822598985.db2.gz ZPDOGGXLRTYDHV-KRWDZBQOSA-N 1 0 383.492 4.065 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1cccc(OCc2ccccn2)c1 ZINC000180032989 822601382 /nfs/dbraw/zinc/60/13/82/822601382.db2.gz RMQGXAUYVLVMJS-PKOBYXMFSA-N 1 0 397.519 4.321 20 0 GIADRO CCOc1ccc(C(=O)N2CCCCC2)cc1NC1CC[NH+](C(C)(C)C)CC1 ZINC000180034476 822601619 /nfs/dbraw/zinc/60/16/19/822601619.db2.gz GQEZFGHLHGCNLI-UHFFFAOYSA-N 1 0 387.568 4.386 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1cccc(NC(=O)OC)c1 ZINC000047711662 822601942 /nfs/dbraw/zinc/60/19/42/822601942.db2.gz ZCESSIYVEVNCHC-UHFFFAOYSA-N 1 0 384.480 4.028 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@H]1CCCCC1(F)F ZINC000455174587 822601957 /nfs/dbraw/zinc/60/19/57/822601957.db2.gz VICBTYSSYYGXHU-GOSISDBHSA-N 1 0 394.510 4.155 20 0 GIADRO CN(C)S(=O)(=O)c1ccc(C[NH2+][C@@H](c2ccccc2F)C2CCCC2)cc1 ZINC000180043444 822603299 /nfs/dbraw/zinc/60/32/99/822603299.db2.gz PFFYEXFCAPNLGW-OAQYLSRUSA-N 1 0 390.524 4.097 20 0 GIADRO Cc1cc(C)c(NC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1Br ZINC000455190268 822604489 /nfs/dbraw/zinc/60/44/89/822604489.db2.gz HDUVZMDXSOMYKQ-SFHVURJKSA-N 1 0 380.330 4.016 20 0 GIADRO COc1ccc([C@H]([NH2+]Cc2cccc(C(=O)NC[C@H]3CCCO3)c2)C(C)C)cc1 ZINC000180051382 822604891 /nfs/dbraw/zinc/60/48/91/822604891.db2.gz FGQDNYTXFUSGGV-DHIUTWEWSA-N 1 0 396.531 4.091 20 0 GIADRO CCc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+][C@H](C)C[S@](C)=O)cc1 ZINC000184269477 822606374 /nfs/dbraw/zinc/60/63/74/822606374.db2.gz GWYGFSOZRCJZBK-WRHNGFHOSA-N 1 0 395.572 4.017 20 0 GIADRO CCNC(=O)c1cccc(C[NH2+][C@@H](c2ccc(Br)cc2)C2CC2)c1 ZINC000180060725 822606411 /nfs/dbraw/zinc/60/64/11/822606411.db2.gz UUJPFJUGXJUXCE-LJQANCHMSA-N 1 0 387.321 4.440 20 0 GIADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)Nc1ccc(-n2cccn2)c(F)c1 ZINC000047767393 822608084 /nfs/dbraw/zinc/60/80/84/822608084.db2.gz OATAWMOZVNNFLC-GOSISDBHSA-N 1 0 399.495 4.032 20 0 GIADRO C[C@@H](C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1)c1nccs1 ZINC000184288567 822609229 /nfs/dbraw/zinc/60/92/29/822609229.db2.gz JJEHHHQLAWDQHG-KRWDZBQOSA-N 1 0 389.528 4.343 20 0 GIADRO CC[C@@H](C)NC(=O)c1ccc(C[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)cc1 ZINC000047792462 822609569 /nfs/dbraw/zinc/60/95/69/822609569.db2.gz GZQVKZAMUIJNHD-OAHLLOKOSA-N 1 0 380.467 4.034 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=S)Nc3ccc(C(C)=O)cc3)c(C)c2)CC1 ZINC000047808525 822611349 /nfs/dbraw/zinc/61/13/49/822611349.db2.gz YFIOCJQMIJDLQH-UHFFFAOYSA-N 1 0 396.560 4.148 20 0 GIADRO COc1ccccc1S(=O)(=O)CCC[NH2+]C(C)(C)c1cccc(Cl)c1 ZINC000184308687 822612230 /nfs/dbraw/zinc/61/22/30/822612230.db2.gz QDICXEWWLXSGRI-UHFFFAOYSA-N 1 0 381.925 4.037 20 0 GIADRO COc1ccccc1NC(=O)C[NH2+][C@H](C)c1ccc(OCC(C)C)c(OC)c1 ZINC000180088482 822612822 /nfs/dbraw/zinc/61/28/22/822612822.db2.gz KTSMDDUHDXXFHQ-MRXNPFEDSA-N 1 0 386.492 4.028 20 0 GIADRO C[NH+](C)CCc1ccccc1NC(=O)N1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000455232732 822613779 /nfs/dbraw/zinc/61/37/79/822613779.db2.gz SMYYZNPVYOWTGF-IBGZPJMESA-N 1 0 387.911 4.129 20 0 GIADRO CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+][C@H](c2ccccc2C)C(C)(C)C)cc1 ZINC000180093985 822614061 /nfs/dbraw/zinc/61/40/61/822614061.db2.gz QXIZBVVAJQKOBB-SIKLNZKXSA-N 1 0 384.520 4.070 20 0 GIADRO Clc1ccccc1[C@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc2c(c1)OCCO2 ZINC000180094841 822614283 /nfs/dbraw/zinc/61/42/83/822614283.db2.gz BADJVLHPXRXTKR-WAIKUNEKSA-N 1 0 398.934 4.275 20 0 GIADRO COc1ccc2oc([C@H](C)[NH2+]C[C@H](O)COc3cccc(C(C)=O)c3)c(C)c2c1 ZINC000184319941 822614294 /nfs/dbraw/zinc/61/42/94/822614294.db2.gz RUADWZCPZKSPMS-YJBOKZPZSA-N 1 0 397.471 4.043 20 0 GIADRO COc1ccc2oc([C@@H](C)[NH2+]CCC(=O)Nc3cc(N)ccc3F)c(C)c2c1 ZINC000184328174 822615843 /nfs/dbraw/zinc/61/58/43/822615843.db2.gz HSEWXLVBXZCTHR-CYBMUJFWSA-N 1 0 385.439 4.151 20 0 GIADRO C[C@@H](NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000047883280 822616281 /nfs/dbraw/zinc/61/62/81/822616281.db2.gz VVJWRMFRYMABDB-PBHICJAKSA-N 1 0 395.425 4.496 20 0 GIADRO CC(C)[NH+]1CCC(NC(=O)N[C@H](C)c2cc(F)c(Cl)cc2Cl)CC1 ZINC000047883596 822616289 /nfs/dbraw/zinc/61/62/89/822616289.db2.gz LXPPNIBIEOHWMN-LLVKDONJSA-N 1 0 376.303 4.366 20 0 GIADRO COc1ccc([C@@H]([NH2+]CC2CCN(Cc3nc(C)c(C)o3)CC2)C(C)C)cc1 ZINC000180109175 822617079 /nfs/dbraw/zinc/61/70/79/822617079.db2.gz LMEPKZPGQWOKMG-QHCPKHFHSA-N 1 0 385.552 4.499 20 0 GIADRO Cc1cncc([C@@H](C)[NH2+]C[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)c1 ZINC000184333703 822617311 /nfs/dbraw/zinc/61/73/11/822617311.db2.gz KCSKBRGEGKFAOU-UZLBHIALSA-N 1 0 393.453 4.133 20 0 GIADRO COc1ccc2oc([C@@H](C)[NH2+][C@H](C)C(=O)Nc3ccnn3C(C)C)c(C)c2c1 ZINC000184335735 822617683 /nfs/dbraw/zinc/61/76/83/822617683.db2.gz VQYQXQODWDYTGP-HUUCEWRRSA-N 1 0 384.480 4.205 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)NCc2ccc(-c3csc(C)n3)o2)cc1 ZINC000047904896 822618045 /nfs/dbraw/zinc/61/80/45/822618045.db2.gz DSKGIJIUYFGCCE-UHFFFAOYSA-N 1 0 383.517 4.483 20 0 GIADRO CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)c2nc3ccc(Cl)cc3n2C)[C@H](C)C1 ZINC000180114612 822618130 /nfs/dbraw/zinc/61/81/30/822618130.db2.gz KLGVUXOPLPLVSK-RYRKJORJSA-N 1 0 392.975 4.014 20 0 GIADRO C[NH+]1CCN(c2cccc(Cl)c2CNCc2cc(-c3ccccc3)on2)CC1 ZINC000180116637 822618459 /nfs/dbraw/zinc/61/84/59/822618459.db2.gz FJKJDIDLFIGIPQ-UHFFFAOYSA-N 1 0 396.922 4.037 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCC1)Nc1cccc(OC(F)F)c1 ZINC000047907822 822618725 /nfs/dbraw/zinc/61/87/25/822618725.db2.gz WVRJGKXGVDCNTH-UHFFFAOYSA-N 1 0 375.419 4.206 20 0 GIADRO Cc1cnc([C@@H](C)C[NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)s1 ZINC000184345841 822619561 /nfs/dbraw/zinc/61/95/61/822619561.db2.gz CQPYJKSCOATHOH-JTQLQIEISA-N 1 0 382.320 4.232 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]CC(=O)Nc1nccs1 ZINC000184347013 822619801 /nfs/dbraw/zinc/61/98/01/822619801.db2.gz FWGMQGXCXROPCU-JTQLQIEISA-N 1 0 376.482 4.003 20 0 GIADRO COc1cccc([C@H](CNC(=O)N[C@H](C)c2ccc(SC)cc2)[NH+](C)C)c1 ZINC000047937236 822621164 /nfs/dbraw/zinc/62/11/64/822621164.db2.gz DCHAAFAJCUKCSI-QRWLVFNGSA-N 1 0 387.549 4.080 20 0 GIADRO Brc1ccc([C@H]([NH2+]CCCOCC2CCOCC2)C2CC2)cc1 ZINC000180127739 822621333 /nfs/dbraw/zinc/62/13/33/822621333.db2.gz KLCHMLFELYZFRM-LJQANCHMSA-N 1 0 382.342 4.323 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000180129392 822621737 /nfs/dbraw/zinc/62/17/37/822621737.db2.gz LCUYROFCFULGIR-GOSISDBHSA-N 1 0 381.303 4.426 20 0 GIADRO Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)N1CC[NH+](CC(C)C)CC1 ZINC000047950098 822622122 /nfs/dbraw/zinc/62/21/22/822622122.db2.gz VCLHNXXYNATQMW-UHFFFAOYSA-N 1 0 394.519 4.053 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(Cl)c(OC(F)F)c2)[C@H](C)C1 ZINC000180135735 822623559 /nfs/dbraw/zinc/62/35/59/822623559.db2.gz MONCSUJGYIZDJA-RISCZKNCSA-N 1 0 375.847 4.135 20 0 GIADRO CCCCCOc1ccc([C@@H](C)NC(=O)NC2CC[NH+](CC)CC2)cc1OC ZINC000047979709 822623629 /nfs/dbraw/zinc/62/36/29/822623629.db2.gz AJYYOPHHDYMYMN-QGZVFWFLSA-N 1 0 391.556 4.109 20 0 GIADRO C[C@H]([NH2+]CCCOc1ccc(S(C)(=O)=O)cc1)c1cc2ccccc2s1 ZINC000184371998 822623733 /nfs/dbraw/zinc/62/37/33/822623733.db2.gz HDDMNBNGFMZQBK-HNNXBMFYSA-N 1 0 389.542 4.425 20 0 GIADRO CCCCn1ncc(NC(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)c1C(C)C ZINC000455273482 822623838 /nfs/dbraw/zinc/62/38/38/822623838.db2.gz JAKHKJUTPXGZHU-QGZVFWFLSA-N 1 0 375.561 4.145 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)Nc2nc(-c3ccccc3Cl)ns2)CC1 ZINC000184380778 822625450 /nfs/dbraw/zinc/62/54/50/822625450.db2.gz JGSGPZJJPABVGA-UHFFFAOYSA-N 1 0 393.944 4.197 20 0 GIADRO O=C(N[C@H](c1ccccc1)c1ccc(Cl)cc1)NC1CC[NH+](C2CC2)CC1 ZINC000048024579 822625593 /nfs/dbraw/zinc/62/55/93/822625593.db2.gz STVNLQKLRYQBMN-OAQYLSRUSA-N 1 0 383.923 4.355 20 0 GIADRO C[C@@H]([NH2+]CC(=O)NC[C@H]1CCN(c2ccccc2)C1)c1cc2ccccc2s1 ZINC000184382395 822625638 /nfs/dbraw/zinc/62/56/38/822625638.db2.gz ZQCQULNMEFTOAT-QZTJIDSGSA-N 1 0 393.556 4.195 20 0 GIADRO C[NH+](C)CC1CCC(NC(=O)Nc2nc(-c3ccccc3Cl)ns2)CC1 ZINC000184386058 822626191 /nfs/dbraw/zinc/62/61/91/822626191.db2.gz YDJSVISUSHXEOP-UHFFFAOYSA-N 1 0 393.944 4.100 20 0 GIADRO COc1cc2[nH]c(CCC[NH2+][C@H](C)c3nc4ccccc4n3C)cc2c(OC)c1 ZINC000180148049 822626725 /nfs/dbraw/zinc/62/67/25/822626725.db2.gz OGRAYFJNXOCEIU-OAHLLOKOSA-N 1 0 392.503 4.355 20 0 GIADRO CCC(CC)(C(=O)NC1CC[NH+](C(C)(C)C)CC1)c1ccc(OC)c(OC)c1 ZINC000184390773 822627176 /nfs/dbraw/zinc/62/71/76/822627176.db2.gz OXTGYJHPSVKLPI-UHFFFAOYSA-N 1 0 390.568 4.141 20 0 GIADRO Cc1cncc([C@@H](C)[NH2+]C2CCN(Cc3ccc(Br)cc3)CC2)c1 ZINC000184393037 822627373 /nfs/dbraw/zinc/62/73/73/822627373.db2.gz VSKXEHFOYBDFNP-MRXNPFEDSA-N 1 0 388.353 4.468 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Nc1ccccc1N1CCCCC1)c1ccc(F)cc1 ZINC000048052452 822627427 /nfs/dbraw/zinc/62/74/27/822627427.db2.gz QBSBCYCJJAOIND-NRFANRHFSA-N 1 0 384.499 4.240 20 0 GIADRO Cc1cncc([C@H](C)[NH2+]C2CCN(Cc3ccc(Br)cc3)CC2)c1 ZINC000184393058 822627454 /nfs/dbraw/zinc/62/74/54/822627454.db2.gz VSKXEHFOYBDFNP-INIZCTEOSA-N 1 0 388.353 4.468 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)Nc1ccccc1N1CCCC1 ZINC000048055472 822627646 /nfs/dbraw/zinc/62/76/46/822627646.db2.gz GFKKZEDYZFQUOF-UHFFFAOYSA-N 1 0 384.499 4.022 20 0 GIADRO C[C@@H]([NH2+][C@H](c1cccc(F)c1)C1CCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000180152005 822627659 /nfs/dbraw/zinc/62/76/59/822627659.db2.gz NYVWAPIJSBDMHF-VLIAUNLRSA-N 1 0 376.497 4.055 20 0 GIADRO COc1ccc([C@H]([NH2+]C[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2)C2CC2)cc1 ZINC000180151401 822627671 /nfs/dbraw/zinc/62/76/71/822627671.db2.gz OVCWGTCYAAESHR-BXKMTCNYSA-N 1 0 396.531 4.280 20 0 GIADRO C[C@H]([NH2+][C@H](c1ccc(F)cc1F)C(C)(C)C)c1ccc(S(N)(=O)=O)cc1 ZINC000180152964 822628051 /nfs/dbraw/zinc/62/80/51/822628051.db2.gz RFPWIILEISGLEN-KPZWWZAWSA-N 1 0 382.476 4.050 20 0 GIADRO Cc1ccc([C@@H](OC[C@@H](O)C[NH2+][C@@H](C)c2nccs2)c2ccccc2)cc1 ZINC000184400536 822628683 /nfs/dbraw/zinc/62/86/83/822628683.db2.gz ZVGWADQHSWLOBR-YYWHXJBOSA-N 1 0 382.529 4.269 20 0 GIADRO Cc1cncc([C@H](C)[NH2+]CCC(=O)Nc2cc(Br)ccc2C)c1 ZINC000184405241 822629482 /nfs/dbraw/zinc/62/94/82/822629482.db2.gz HCFLTICCQFGPIO-AWEZNQCLSA-N 1 0 376.298 4.140 20 0 GIADRO C[C@H](CNC(=O)Nc1ccc(N(C)C)cc1C(F)(F)F)C[NH+]1CCCCC1 ZINC000048077454 822629830 /nfs/dbraw/zinc/62/98/30/822629830.db2.gz DXKIYQDJCXMUCJ-CQSZACIVSA-N 1 0 386.462 4.015 20 0 GIADRO C[N@@H+]1CC[C@H](NC(=O)CCCc2ncc(-c3ccccc3)o2)[C@@H]1c1ccccc1 ZINC000180162631 822630040 /nfs/dbraw/zinc/63/00/40/822630040.db2.gz SWFNPHOWYBKLSV-RDPSFJRHSA-N 1 0 389.499 4.226 20 0 GIADRO C[N@@H+]1CC[C@H](NC(=O)c2[nH]c3ccccc3c2Br)[C@@H]1c1ccccc1 ZINC000180162671 822630137 /nfs/dbraw/zinc/63/01/37/822630137.db2.gz WJPKHWBVQAFFAS-LPHOPBHVSA-N 1 0 398.304 4.106 20 0 GIADRO Cc1nn(C(C)(C)C)cc1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000184412097 822630196 /nfs/dbraw/zinc/63/01/96/822630196.db2.gz BHVZPGILXCETJM-IRLDBZIGSA-N 1 0 394.563 4.073 20 0 GIADRO Cc1ccc(Br)cc1NC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000048084110 822630503 /nfs/dbraw/zinc/63/05/03/822630503.db2.gz MVJNZSKZOKICGB-UHFFFAOYSA-N 1 0 382.346 4.342 20 0 GIADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1sccc1Br ZINC000048087621 822630964 /nfs/dbraw/zinc/63/09/64/822630964.db2.gz FNDCULJHNZBBGT-GFCCVEGCSA-N 1 0 385.352 4.139 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)Nc2cc(F)c(N3CCCC3)c(F)c2)CC1 ZINC000048095591 822631129 /nfs/dbraw/zinc/63/11/29/822631129.db2.gz JQPAEMQBANITCQ-UHFFFAOYSA-N 1 0 394.510 4.149 20 0 GIADRO COC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc(F)c(F)c1 ZINC000180171779 822632002 /nfs/dbraw/zinc/63/20/02/822632002.db2.gz QAPAYJCHOKUUGF-MNRDOXJOSA-N 1 0 386.486 4.438 20 0 GIADRO Brc1cccc2c1CC[C@@H]2[NH2+]CC1(N2CCCCC2)CCOCC1 ZINC000180172241 822632116 /nfs/dbraw/zinc/63/21/16/822632116.db2.gz BWEMPTSKZQWRBM-IBGZPJMESA-N 1 0 393.369 4.061 20 0 GIADRO CN(Cc1cc(F)c(F)c(F)c1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000180175938 822632759 /nfs/dbraw/zinc/63/27/59/822632759.db2.gz XWVPCXLZJZQWRS-KRWDZBQOSA-N 1 0 395.425 4.066 20 0 GIADRO C[C@@H]([NH2+][C@@H](Cc1ccccc1)c1cccs1)c1ccc(S(N)(=O)=O)cc1 ZINC000180178909 822633375 /nfs/dbraw/zinc/63/33/75/822633375.db2.gz JJTLESGRLAGJPJ-BEFAXECRSA-N 1 0 386.542 4.030 20 0 GIADRO CS(=O)(=O)C1CCC([NH2+][C@@H](c2ccc(Cl)c(Cl)c2)C2CC2)CC1 ZINC000180183301 822634368 /nfs/dbraw/zinc/63/43/68/822634368.db2.gz NOTJLLBFEKMZOP-MQBCKMQZSA-N 1 0 376.349 4.390 20 0 GIADRO COc1ccccc1[C@@H](O)C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180190344 822635843 /nfs/dbraw/zinc/63/58/43/822635843.db2.gz KQTPRJKDOFFHQD-RBBKRZOGSA-N 1 0 378.428 4.016 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCc1ccc(C(F)F)cc1 ZINC000184445165 822636286 /nfs/dbraw/zinc/63/62/86/822636286.db2.gz DOFHPIGVNXSBHU-UHFFFAOYSA-N 1 0 375.463 4.418 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)Nc2cc(C)n(-c3cc(C)cc(C)c3)n2)CC1 ZINC000180192393 822636322 /nfs/dbraw/zinc/63/63/22/822636322.db2.gz YVQKQSAUJLIGAP-UHFFFAOYSA-N 1 0 383.540 4.136 20 0 GIADRO C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000048136836 822637112 /nfs/dbraw/zinc/63/71/12/822637112.db2.gz AQJQKTIBYUMKRB-KKSFZXQISA-N 1 0 377.488 4.129 20 0 GIADRO CN(CCCC[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC000180198042 822637676 /nfs/dbraw/zinc/63/76/76/822637676.db2.gz ZZIBNEJOEMAYLW-UHFFFAOYSA-N 1 0 375.557 4.329 20 0 GIADRO COCCCOc1cccc(C[NH2+][C@@H](C)c2nc3ccc(Cl)cc3n2C)c1 ZINC000180199933 822638141 /nfs/dbraw/zinc/63/81/41/822638141.db2.gz OURPEAWNQUJGHE-HNNXBMFYSA-N 1 0 387.911 4.493 20 0 GIADRO Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000180199658 822638146 /nfs/dbraw/zinc/63/81/46/822638146.db2.gz WYWXYJYXKROGIE-WIYYLYMNSA-N 1 0 395.890 4.479 20 0 GIADRO Cc1cc(C(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)nn1-c1ccc(C)cc1 ZINC000180201161 822638238 /nfs/dbraw/zinc/63/82/38/822638238.db2.gz CXKQUMOSHNAPSP-OAQYLSRUSA-N 1 0 394.563 4.073 20 0 GIADRO CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1 ZINC000180207897 822639564 /nfs/dbraw/zinc/63/95/64/822639564.db2.gz ZDENFNMJPLLZNS-VQTJNVASSA-N 1 0 399.922 4.110 20 0 GIADRO O=C(c1ccccc1Cl)N1CCC([NH2+]CCCNc2cccc(F)c2)CC1 ZINC000184462526 822639842 /nfs/dbraw/zinc/63/98/42/822639842.db2.gz KQONBIWCUONTCA-UHFFFAOYSA-N 1 0 389.902 4.176 20 0 GIADRO C[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)c(F)c1)c1nc2ccc(Cl)cc2n1C ZINC000180210168 822640046 /nfs/dbraw/zinc/64/00/46/822640046.db2.gz BYFQSDMQSBIWEV-QGHHPUGFSA-N 1 0 382.266 4.403 20 0 GIADRO COc1ccc(C[N@H+](Cc2cc(-c3cnn(C)c3C)no2)[C@@H](C)C2CC2)cc1 ZINC000184468766 822641214 /nfs/dbraw/zinc/64/12/14/822641214.db2.gz YAPVPLMDCHRFIN-HNNXBMFYSA-N 1 0 380.492 4.193 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)Cc1ccccc1C(F)(F)F)c1ccc(S(C)(=O)=O)cc1 ZINC000180225507 822643276 /nfs/dbraw/zinc/64/32/76/822643276.db2.gz CQKZHLLQIIHHBJ-UONOGXRCSA-N 1 0 385.451 4.391 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000180230202 822644372 /nfs/dbraw/zinc/64/43/72/822644372.db2.gz LAHJIIRVBAAVCV-UHFFFAOYSA-N 1 0 388.515 4.380 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1sccc1Br ZINC000048197920 822644497 /nfs/dbraw/zinc/64/44/97/822644497.db2.gz CWWQEGAMXKBNCP-UHFFFAOYSA-N 1 0 379.323 4.036 20 0 GIADRO CCC(CC)n1nc(C)cc1C(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000180231070 822644692 /nfs/dbraw/zinc/64/46/92/822644692.db2.gz PCILHDHTYJGROA-UHFFFAOYSA-N 1 0 383.540 4.311 20 0 GIADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)Nc3cccc(Br)c3Cl)C2)C1 ZINC000455389908 822645176 /nfs/dbraw/zinc/64/51/76/822645176.db2.gz AEOWTNUNXIHNII-INIZCTEOSA-N 1 0 386.721 4.052 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)N(C)Cc2ccc(OC(F)F)c(OC)c2)o1 ZINC000048215599 822645950 /nfs/dbraw/zinc/64/59/50/822645950.db2.gz ZRCVIYGXHVPVQV-UHFFFAOYSA-N 1 0 396.434 4.004 20 0 GIADRO O=C(c1sccc1Br)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000048219327 822646161 /nfs/dbraw/zinc/64/61/61/822646161.db2.gz QEABGRNQXQZLLW-UHFFFAOYSA-N 1 0 385.371 4.239 20 0 GIADRO CCC[N@H+](CCc1cccs1)Cc1nc(-c2ccc(OC)cc2OC)no1 ZINC000184504116 822646699 /nfs/dbraw/zinc/64/66/99/822646699.db2.gz MHGMAYHVINEIPN-UHFFFAOYSA-N 1 0 387.505 4.270 20 0 GIADRO Cc1cc2ncn(C[C@H](O)C[NH2+][C@@H](C)c3nc(C(C)(C)C)cs3)c2cc1C ZINC000184505098 822646950 /nfs/dbraw/zinc/64/69/50/822646950.db2.gz KGWUGFJDDVHEOJ-JKSUJKDBSA-N 1 0 386.565 4.119 20 0 GIADRO CC[C@H]([NH2+][C@H]1CCN(C(C)=O)Cc2cc(F)ccc21)c1ccc2c(c1)OCCO2 ZINC000184509474 822647751 /nfs/dbraw/zinc/64/77/51/822647751.db2.gz UVYAXCLBKLUVBP-SFTDATJTSA-N 1 0 398.478 4.131 20 0 GIADRO CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc3c(c2)OCCCO3)c2ccc(F)cc2C1 ZINC000184511822 822648164 /nfs/dbraw/zinc/64/81/64/822648164.db2.gz KXCOHSCQIFXETI-BTYIYWSLSA-N 1 0 398.478 4.131 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc3c(c2)N(C)CC3)CC[N@@H+]1Cc1ccccc1 ZINC000180251419 822648409 /nfs/dbraw/zinc/64/84/09/822648409.db2.gz VZOLHJCXKMJFNA-XMSQKQJNSA-N 1 0 392.547 4.196 20 0 GIADRO CC[C@@H]([NH2+][C@H]1CCN(C(C)=O)Cc2cc(F)ccc21)c1ccc2c(c1)CCO2 ZINC000184512233 822648456 /nfs/dbraw/zinc/64/84/56/822648456.db2.gz RHGIPWQMNOWFGC-YADHBBJMSA-N 1 0 382.479 4.295 20 0 GIADRO CC[C@H]([NH2+][C@H]1CCN(C(C)=O)Cc2cc(F)ccc21)c1ccc2c(c1)CCO2 ZINC000184512215 822648457 /nfs/dbraw/zinc/64/84/57/822648457.db2.gz RHGIPWQMNOWFGC-VXKWHMMOSA-N 1 0 382.479 4.295 20 0 GIADRO CC[C@@H](C)NC(=O)CC[NH2+][C@@H](c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000180251715 822648610 /nfs/dbraw/zinc/64/86/10/822648610.db2.gz FKDFJAWJQWDSQC-QRWLVFNGSA-N 1 0 376.447 4.272 20 0 GIADRO CC[C@H](C)NC(=O)CC[NH2+][C@H](c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000180251767 822648645 /nfs/dbraw/zinc/64/86/45/822648645.db2.gz FKDFJAWJQWDSQC-MGPUTAFESA-N 1 0 376.447 4.272 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)N[C@H](c1c[nH]c2ccccc21)C(F)(F)F ZINC000455411537 822648731 /nfs/dbraw/zinc/64/87/31/822648731.db2.gz PCXHDFFVLSLUFB-MRXNPFEDSA-N 1 0 384.446 4.191 20 0 GIADRO COc1ccc(S[C@H](C)C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000048276703 822650975 /nfs/dbraw/zinc/65/09/75/822650975.db2.gz OXCLDMPHARAXFG-QGZVFWFLSA-N 1 0 384.545 4.088 20 0 GIADRO O=C(NC[C@@H]1CCCC1(F)F)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000455426026 822651470 /nfs/dbraw/zinc/65/14/70/822651470.db2.gz ZDDZPUGYDJRFHX-SLFFLAALSA-N 1 0 391.506 4.118 20 0 GIADRO Cc1csc(CNC(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)n1 ZINC000048350013 822655080 /nfs/dbraw/zinc/65/50/80/822655080.db2.gz KGSLIVJKZZNICM-UHFFFAOYSA-N 1 0 394.544 4.180 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]CCCNC(=O)C(F)(F)F ZINC000184548235 822655311 /nfs/dbraw/zinc/65/53/11/822655311.db2.gz VJVJVCATCJARRF-LBPRGKRZSA-N 1 0 385.455 4.146 20 0 GIADRO Cc1nc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)sc1Cc1ccc(F)cc1 ZINC000455448245 822656020 /nfs/dbraw/zinc/65/60/20/822656020.db2.gz OAKHTPRIPSBRHK-CXAGYDPISA-N 1 0 390.528 4.128 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)Nc2ccc(C)c(NC(C)=O)c2)cc1 ZINC000048364781 822656676 /nfs/dbraw/zinc/65/66/76/822656676.db2.gz MEQCIQHTNGXOPG-UHFFFAOYSA-N 1 0 382.508 4.117 20 0 GIADRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCC[C@@H]1c1ccncc1 ZINC000184559593 822657357 /nfs/dbraw/zinc/65/73/57/822657357.db2.gz UWPWSQRVXAUKHR-FCHUYYIVSA-N 1 0 380.536 4.085 20 0 GIADRO Cc1ccnn1-c1ccccc1NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000184568603 822658815 /nfs/dbraw/zinc/65/88/15/822658815.db2.gz WLWNQCBIGKASFM-HXUWFJFHSA-N 1 0 395.551 4.301 20 0 GIADRO C[C@@H](NC(=O)NC1CC[NH+](C2CC2)CC1)C(c1ccccc1)c1ccccc1 ZINC000048395316 822659228 /nfs/dbraw/zinc/65/92/28/822659228.db2.gz FJAKXHRGHGEZAZ-GOSISDBHSA-N 1 0 377.532 4.133 20 0 GIADRO Cc1cc(NC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)n(Cc2ccccc2)n1 ZINC000180300028 822659411 /nfs/dbraw/zinc/65/94/11/822659411.db2.gz WOPCCZVLNIKILJ-ICSRJNTNSA-N 1 0 395.551 4.014 20 0 GIADRO Cc1nc(C(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c(-c2ccccc2)o1 ZINC000184572757 822659496 /nfs/dbraw/zinc/65/94/96/822659496.db2.gz RSHOHZPUWFZAHM-LJQANCHMSA-N 1 0 381.520 4.234 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCc1ccccc1OC(F)F ZINC000048410393 822660301 /nfs/dbraw/zinc/66/03/01/822660301.db2.gz QGMZYOXSHSLPDM-UHFFFAOYSA-N 1 0 391.462 4.128 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)[C@H](C)C1 ZINC000180303856 822660354 /nfs/dbraw/zinc/66/03/54/822660354.db2.gz FLGPLBXXMQTBIW-DNVCBOLYSA-N 1 0 393.491 4.084 20 0 GIADRO C[C@@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@H](C)c1ccccc1C(F)(F)F ZINC000455470504 822660853 /nfs/dbraw/zinc/66/08/53/822660853.db2.gz HJKUZWILDARMOB-BLNMRFBMSA-N 1 0 383.458 4.122 20 0 GIADRO CCN(C(=O)Nc1ccc(-c2ncco2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000184584322 822661588 /nfs/dbraw/zinc/66/15/88/822661588.db2.gz ZUPFMDIBVPWFHW-OAQYLSRUSA-N 1 0 390.487 4.470 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000180319525 822662857 /nfs/dbraw/zinc/66/28/57/822662857.db2.gz JUIKOWIZKSWQNC-YADHBBJMSA-N 1 0 396.510 4.025 20 0 GIADRO COc1ccc(NC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1F ZINC000048450449 822662960 /nfs/dbraw/zinc/66/29/60/822662960.db2.gz GBOROFBRYXTWBF-UHFFFAOYSA-N 1 0 391.874 4.274 20 0 GIADRO COc1ccc(OC)c([C@@H](C)NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000184602735 822664522 /nfs/dbraw/zinc/66/45/22/822664522.db2.gz UGKXTMFTESEHCB-GOSISDBHSA-N 1 0 396.531 4.183 20 0 GIADRO CSCC[C@H]([NH2+]CCSc1ccccc1F)c1nnc2ccccn21 ZINC000184604238 822664690 /nfs/dbraw/zinc/66/46/90/822664690.db2.gz VVVTZJOUKAJCAD-HNNXBMFYSA-N 1 0 376.526 4.045 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Nc1c(C)cc(C)nc1C)c1cccc(OC)c1 ZINC000455490731 822664726 /nfs/dbraw/zinc/66/47/26/822664726.db2.gz XKJJVRITWJHDAL-HXUWFJFHSA-N 1 0 384.524 4.220 20 0 GIADRO Cc1nc(NC(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)ccc1-c1ccccc1 ZINC000455491518 822665018 /nfs/dbraw/zinc/66/50/18/822665018.db2.gz WNLOBWLEENIUIS-QGZVFWFLSA-N 1 0 378.520 4.395 20 0 GIADRO COc1ccc(C[N@H+](Cc2cc(-c3cnn(C)c3C)no2)C(C)(C)C)c(OC)c1 ZINC000184620069 822666818 /nfs/dbraw/zinc/66/68/18/822666818.db2.gz AYUYHHGPEBOJEL-UHFFFAOYSA-N 1 0 398.507 4.201 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000455506725 822668023 /nfs/dbraw/zinc/66/80/23/822668023.db2.gz YOUCWEXSFHHUPK-KRWDZBQOSA-N 1 0 379.957 4.193 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000455506726 822668091 /nfs/dbraw/zinc/66/80/91/822668091.db2.gz YOUCWEXSFHHUPK-QGZVFWFLSA-N 1 0 379.957 4.193 20 0 GIADRO COc1ccccc1NC(=O)C1CC[NH+](CCC(Cl)(Cl)Cl)CC1 ZINC000184634044 822668936 /nfs/dbraw/zinc/66/89/36/822668936.db2.gz DXXXUTIQLJZWSE-UHFFFAOYSA-N 1 0 379.715 4.106 20 0 GIADRO Cc1c(-c2cc(C[N@H+]3CC=C(c4c[nH]c5cc(F)ccc54)CC3)on2)cnn1C ZINC000184635306 822668894 /nfs/dbraw/zinc/66/88/94/822668894.db2.gz XJPYYCRMNAYQMP-UHFFFAOYSA-N 1 0 391.450 4.293 20 0 GIADRO CC1CC[NH+](Cc2ccc(CNC(=O)Nc3cccc(OCC#N)c3)cc2)CC1 ZINC000048510191 822668986 /nfs/dbraw/zinc/66/89/86/822668986.db2.gz QQDKPNZCGYLPRB-UHFFFAOYSA-N 1 0 392.503 4.143 20 0 GIADRO CCOc1cccc2cc([C@@H](C)[NH2+]CC(=O)Nc3cc(C)ccc3OC)oc21 ZINC000180354692 822669045 /nfs/dbraw/zinc/66/90/45/822669045.db2.gz SLRSYGHUZSGWTG-OAHLLOKOSA-N 1 0 382.460 4.438 20 0 GIADRO C[C@H](C(=O)Nc1ccccc1O[C@@H](C)C#N)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000180357089 822669706 /nfs/dbraw/zinc/66/97/06/822669706.db2.gz KAGHMHGWIZDDRO-RBUKOAKNSA-N 1 0 391.515 4.259 20 0 GIADRO COc1ccc(OCc2nc(C[NH2+][C@H]3CC(C)(C)OC3(C)C)cs2)cc1 ZINC000180367732 822670993 /nfs/dbraw/zinc/67/09/93/822670993.db2.gz IXLCIBZYLGQXSE-KRWDZBQOSA-N 1 0 376.522 4.166 20 0 GIADRO CC1(C)Oc2ccc(NC(=O)NCc3ccccc3C[NH+]3CCCC3)cc2O1 ZINC000048546613 822671126 /nfs/dbraw/zinc/67/11/26/822671126.db2.gz ANJKLRJXGMVAQB-UHFFFAOYSA-N 1 0 381.476 4.111 20 0 GIADRO COc1ccc([C@H](C)[C@@H](C)Nc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)cc1 ZINC000184653395 822671170 /nfs/dbraw/zinc/67/11/70/822671170.db2.gz NNTLIUICBNKTLM-QZTJIDSGSA-N 1 0 383.536 4.498 20 0 GIADRO COc1ccc(CC[C@H](C)Nc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)cc1 ZINC000184652624 822671204 /nfs/dbraw/zinc/67/12/04/822671204.db2.gz HYGLSRAYEOIDRY-SFHVURJKSA-N 1 0 383.536 4.327 20 0 GIADRO COc1ccc(NC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c(C(F)(F)F)c1 ZINC000048549658 822671419 /nfs/dbraw/zinc/67/14/19/822671419.db2.gz WCRDGSPQTBCZMA-HNNXBMFYSA-N 1 0 387.427 4.200 20 0 GIADRO COc1ccc([C@@H](C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)N(C)C)cc1OC ZINC000180381748 822673055 /nfs/dbraw/zinc/67/30/55/822673055.db2.gz JOBOTUNFHIKFOZ-WOJBJXKFSA-N 1 0 396.531 4.343 20 0 GIADRO Cc1nc(C)c([C@@H](C)[NH2+][C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)s1 ZINC000184669416 822673395 /nfs/dbraw/zinc/67/33/95/822673395.db2.gz RYMYPTJVSITAHZ-IUODEOHRSA-N 1 0 397.466 4.230 20 0 GIADRO Cc1ccc(C[C@@H](C)C(=O)N[C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)cc1 ZINC000180390270 822674486 /nfs/dbraw/zinc/67/44/86/822674486.db2.gz BCOXFLYJFMSHIB-KNQAVFIVSA-N 1 0 392.543 4.278 20 0 GIADRO Cc1ccc(C[C@H](C)C(=O)N[C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)cc1 ZINC000180390285 822674511 /nfs/dbraw/zinc/67/45/11/822674511.db2.gz BCOXFLYJFMSHIB-UGKGYDQZSA-N 1 0 392.543 4.278 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(F)cc1N(C)C ZINC000180409061 822676850 /nfs/dbraw/zinc/67/68/50/822676850.db2.gz YBWLJYONUPQOFE-KRWDZBQOSA-N 1 0 383.511 4.369 20 0 GIADRO COc1cc(Cl)cc(C[NH+]2CCC([C@@H](O)c3ccc(F)cc3)CC2)c1O ZINC000184691390 822677466 /nfs/dbraw/zinc/67/74/66/822677466.db2.gz YNEYRJRJGYXCNQ-IBGZPJMESA-N 1 0 379.859 4.139 20 0 GIADRO COc1ccc(CC[NH2+][C@@H](c2ccccc2)c2ccccn2)c(OC)c1OC ZINC000180415737 822677860 /nfs/dbraw/zinc/67/78/60/822677860.db2.gz FRGVMLVQLQVLKM-NRFANRHFSA-N 1 0 378.472 4.029 20 0 GIADRO COc1ccccc1[C@H](C)CC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180420874 822678709 /nfs/dbraw/zinc/67/87/09/822678709.db2.gz XQRLLMUDSKZUID-LJQANCHMSA-N 1 0 395.547 4.349 20 0 GIADRO CCCc1nc(C)c(C(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000180421445 822678877 /nfs/dbraw/zinc/67/88/77/822678877.db2.gz SYZPMOQEJOSLJN-UHFFFAOYSA-N 1 0 386.565 4.178 20 0 GIADRO CC(C)c1nn(-c2ccccc2)cc1C[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000048716825 822679633 /nfs/dbraw/zinc/67/96/33/822679633.db2.gz CMJZEGGBFANFTA-UHFFFAOYSA-N 1 0 389.547 4.145 20 0 GIADRO Cc1cc(C[NH2+]C2CCC3(CC2)OCCO3)cc(C)c1OCc1ccccn1 ZINC000048715627 822679706 /nfs/dbraw/zinc/67/97/06/822679706.db2.gz UUPLXYRIRHTFAF-UHFFFAOYSA-N 1 0 382.504 4.053 20 0 GIADRO COc1ccc(C[NH2+]C2CCC3(CC2)OCCO3)cc1OCc1ccccc1 ZINC000048715534 822679726 /nfs/dbraw/zinc/67/97/26/822679726.db2.gz QWFRALUHYXIJEB-UHFFFAOYSA-N 1 0 383.488 4.050 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1ccc(F)c(Cl)c1 ZINC000180428632 822680117 /nfs/dbraw/zinc/68/01/17/822680117.db2.gz KDHVRRCXDXTKEV-UHFFFAOYSA-N 1 0 375.875 4.253 20 0 GIADRO CC(C)c1nn(-c2ccccc2)c(Cl)c1C[NH2+]CCC(=O)N1CCCCC1 ZINC000048745500 822680808 /nfs/dbraw/zinc/68/08/08/822680808.db2.gz GMIDAJJGFTUPJE-UHFFFAOYSA-N 1 0 388.943 4.141 20 0 GIADRO COc1ccc(C[NH2+][C@H](C)c2ccc(OCc3ccncc3)c(OC)c2)cc1O ZINC000048746790 822680984 /nfs/dbraw/zinc/68/09/84/822680984.db2.gz HIUDDCSGRFEBQC-MRXNPFEDSA-N 1 0 394.471 4.234 20 0 GIADRO COc1ccc(C[NH2+]Cc2ccc(Oc3c(OC)cccc3OC)nc2)cc1 ZINC000048749579 822681203 /nfs/dbraw/zinc/68/12/03/822681203.db2.gz AYPHALMOOBUESL-UHFFFAOYSA-N 1 0 380.444 4.190 20 0 GIADRO COc1cc2c(cc1C[NH2+]Cc1ccc(OCc3ccccn3)cc1)O[C@H](C)C2 ZINC000048751732 822681278 /nfs/dbraw/zinc/68/12/78/822681278.db2.gz YIESCQKQXUGFQN-QGZVFWFLSA-N 1 0 390.483 4.282 20 0 GIADRO Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[NH2+]CCCn1ccnc1C ZINC000048750390 822681430 /nfs/dbraw/zinc/68/14/30/822681430.db2.gz UOBZTPOSDBZSKT-UHFFFAOYSA-N 1 0 378.307 4.172 20 0 GIADRO O=C(N[C@H](c1ccccc1)C(F)F)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000455598602 822681750 /nfs/dbraw/zinc/68/17/50/822681750.db2.gz NRLFJDRFUDEKMR-OTYNDTSQSA-N 1 0 399.485 4.488 20 0 GIADRO C[N@H+](CCCCNC(=O)N1CCC[C@H](c2cccc(C(F)(F)F)c2)C1)C1CC1 ZINC000455600469 822681957 /nfs/dbraw/zinc/68/19/57/822681957.db2.gz BNZWXPUNLAAXCN-KRWDZBQOSA-N 1 0 397.485 4.469 20 0 GIADRO O=S(=O)(CCC[NH2+]Cc1ccc(-c2ccc(F)cc2)o1)Cc1ccccc1 ZINC000048784035 822683114 /nfs/dbraw/zinc/68/31/14/822683114.db2.gz ILSQBKODFXTYMI-UHFFFAOYSA-N 1 0 387.476 4.180 20 0 GIADRO COc1ccccc1SC[C@H](C)C[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000180446879 822683647 /nfs/dbraw/zinc/68/36/47/822683647.db2.gz IPMMUEMUBALLKM-GOSISDBHSA-N 1 0 385.577 4.073 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1cccc(Cl)c1F ZINC000180449594 822684320 /nfs/dbraw/zinc/68/43/20/822684320.db2.gz IXRGYCYYLLWKNW-UHFFFAOYSA-N 1 0 375.875 4.253 20 0 GIADRO O=C(N[C@H](c1ccccc1)C(F)F)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000455623243 822685713 /nfs/dbraw/zinc/68/57/13/822685713.db2.gz MEJQPCHPKZBNKG-QHAWAJNXSA-N 1 0 399.485 4.156 20 0 GIADRO Cc1[nH]c2ccccc2c1C1CCN(C(=O)NCCCC[N@@H+](C)C2CC2)CC1 ZINC000455627044 822686041 /nfs/dbraw/zinc/68/60/41/822686041.db2.gz ZECANEXOBKLRMM-UHFFFAOYSA-N 1 0 382.552 4.240 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)N[C@H]2CCCOc3c(Cl)cccc32)c1 ZINC000180466670 822687184 /nfs/dbraw/zinc/68/71/84/822687184.db2.gz CTCKBBMSZSYJRY-IBGZPJMESA-N 1 0 387.911 4.115 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cc(Cl)ccc2OC(F)(F)F)C1 ZINC000455640029 822688988 /nfs/dbraw/zinc/68/89/88/822688988.db2.gz NTXCTWZYWBSCAC-GFCCVEGCSA-N 1 0 393.837 4.434 20 0 GIADRO Cc1nn(-c2ccccc2Cl)c2sc(C(=O)NNc3cc[nH+]cc3)cc12 ZINC000180483264 822689387 /nfs/dbraw/zinc/68/93/87/822689387.db2.gz ASGILIIWPVPMOU-UHFFFAOYSA-N 1 0 383.864 4.201 20 0 GIADRO C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)N(C)Cc1cc(F)c(F)c(F)c1 ZINC000180484660 822689588 /nfs/dbraw/zinc/68/95/88/822689588.db2.gz WBSGBMSXNYDCBY-CQSZACIVSA-N 1 0 391.437 4.163 20 0 GIADRO CCC(CC)[C@@H]1C[C@H](NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)CCO1 ZINC000180487248 822689916 /nfs/dbraw/zinc/68/99/16/822689916.db2.gz VHBYTDGVTUGISM-YADHBBJMSA-N 1 0 387.568 4.065 20 0 GIADRO CC1CC[NH+](C2CCC(NC(=O)N[C@H](c3ccccc3)C(F)F)CC2)CC1 ZINC000455645132 822690068 /nfs/dbraw/zinc/69/00/68/822690068.db2.gz IXVDYBVHCYHIJP-CTWPCTMYSA-N 1 0 379.495 4.335 20 0 GIADRO CCC(C)(C)NC(=O)C[NH2+][C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000184790343 822691384 /nfs/dbraw/zinc/69/13/84/822691384.db2.gz WFLXRTPWGCBARK-ZDUSSCGKSA-N 1 0 375.538 4.083 20 0 GIADRO O=C(N[C@H](c1ccccc1)C(F)F)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000455650680 822691538 /nfs/dbraw/zinc/69/15/38/822691538.db2.gz NRMWTJFJBOBZFL-LJQANCHMSA-N 1 0 379.495 4.290 20 0 GIADRO O=C(c1ccccc1OCc1ccc(F)cc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000049074220 822692157 /nfs/dbraw/zinc/69/21/57/822692157.db2.gz KKMWIJSWNFEPAZ-UHFFFAOYSA-N 1 0 396.506 4.353 20 0 GIADRO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000049073314 822692184 /nfs/dbraw/zinc/69/21/84/822692184.db2.gz TYLHPKWRSAVRBF-AWEZNQCLSA-N 1 0 385.335 4.095 20 0 GIADRO C[C@H]1CN(C(=O)Nc2ccc([C@H]3CCOC3)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000455657784 822693282 /nfs/dbraw/zinc/69/32/82/822693282.db2.gz DGMUZWSTOONMNB-KNQAVFIVSA-N 1 0 393.531 4.176 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)NCc1ncc(-c2ccccc2)o1)c1ccsc1 ZINC000049118953 822693291 /nfs/dbraw/zinc/69/32/91/822693291.db2.gz MKUFRDCQJLSNLR-GOSISDBHSA-N 1 0 398.532 4.285 20 0 GIADRO Cc1cc(C)n2c(C[N@@H+]3CCCCC[C@H]3C[C@H](O)c3cccs3)cnc2n1 ZINC000180509082 822693812 /nfs/dbraw/zinc/69/38/12/822693812.db2.gz YHERKUFQKDXLED-HKUYNNGSSA-N 1 0 384.549 4.276 20 0 GIADRO O=C(NNc1cc[nH+]cc1)c1ccc(Oc2cccc(Cl)c2Cl)nc1 ZINC000180513525 822694369 /nfs/dbraw/zinc/69/43/69/822694369.db2.gz HSJZAOQQPSLHRN-UHFFFAOYSA-N 1 0 375.215 4.333 20 0 GIADRO C[N@H+](CCNC(=O)c1ccc(Br)cc1C(F)(F)F)C1CCCC1 ZINC000180515331 822694564 /nfs/dbraw/zinc/69/45/64/822694564.db2.gz BJYCWDDHZNRWHR-UHFFFAOYSA-N 1 0 393.247 4.072 20 0 GIADRO C[C@H](NC(=O)N[C@@H](c1ccccc1)C(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000455664203 822694683 /nfs/dbraw/zinc/69/46/83/822694683.db2.gz YFSRSUXRDUJDGJ-VDGAXYAQSA-N 1 0 387.474 4.203 20 0 GIADRO CC(C)Oc1cccc([C@H](C)NC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c1 ZINC000049194962 822694697 /nfs/dbraw/zinc/69/46/97/822694697.db2.gz BCWNOOSDODFBIF-KXBFYZLASA-N 1 0 375.538 4.198 20 0 GIADRO Cc1nc(Cl)ccc1C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000184830686 822696729 /nfs/dbraw/zinc/69/67/29/822696729.db2.gz YMALHLGYKFXBOC-HNNXBMFYSA-N 1 0 385.817 4.095 20 0 GIADRO COc1cc([C@H](C)[NH2+]CCc2cccc(C(N)=O)c2)ccc1SC(F)F ZINC000180534149 822697649 /nfs/dbraw/zinc/69/76/49/822697649.db2.gz UWVVIUGXBQYWFT-LBPRGKRZSA-N 1 0 380.460 4.002 20 0 GIADRO NC(=O)c1cccc(CC[NH2+][C@H]2CCCc3nc(-c4ccccc4)sc32)c1 ZINC000180534996 822697841 /nfs/dbraw/zinc/69/78/41/822697841.db2.gz XXRAUGNPXSHUHL-SFHVURJKSA-N 1 0 377.513 4.119 20 0 GIADRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CCc3cccc(C(N)=O)c3)s2)cc1 ZINC000180534575 822697860 /nfs/dbraw/zinc/69/78/60/822697860.db2.gz XFJDQUSWEKUJDC-CQSZACIVSA-N 1 0 395.528 4.119 20 0 GIADRO CC[NH+](CC)CCN(CC(C)C)C(=O)Nc1ccc(N(C(C)=O)C2CC2)cc1 ZINC000455678869 822698739 /nfs/dbraw/zinc/69/87/39/822698739.db2.gz FHDCKGQWRLPVAK-UHFFFAOYSA-N 1 0 388.556 4.034 20 0 GIADRO Cc1csc([C@@H](NC(=O)NCCC[N@@H+](C)C2CCCCC2)C(F)(F)F)n1 ZINC000455681683 822699495 /nfs/dbraw/zinc/69/94/95/822699495.db2.gz ADLJZPYSJNHEPI-CQSZACIVSA-N 1 0 392.491 4.009 20 0 GIADRO C[NH+](C)C1(CN[C@H](c2cccc(F)c2)c2cccc(Cl)c2)CCOCC1 ZINC000180543864 822699531 /nfs/dbraw/zinc/69/95/31/822699531.db2.gz VKVAXPINYGAYQG-FQEVSTJZSA-N 1 0 376.903 4.269 20 0 GIADRO CCOc1ccccc1CC[NH2+][C@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000180546334 822699875 /nfs/dbraw/zinc/69/98/75/822699875.db2.gz CDAZQDVAFDGGEG-GOSISDBHSA-N 1 0 379.504 4.291 20 0 GIADRO C[C@H]1[C@@H](NC(=O)Nc2nc(CC(F)(F)F)cs2)CC[N@@H+]1Cc1ccccc1 ZINC000455686317 822701200 /nfs/dbraw/zinc/70/12/00/822701200.db2.gz OCSNQHATUWSBIR-WFASDCNBSA-N 1 0 398.454 4.032 20 0 GIADRO COCC[C@@](C)(O)C[NH2+][C@H](c1ccc(Br)cc1)c1ccccc1F ZINC000180555821 822701660 /nfs/dbraw/zinc/70/16/60/822701660.db2.gz XEWLGVJKSYWKEU-RTBURBONSA-N 1 0 396.300 4.055 20 0 GIADRO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C)CC3 ZINC000180561009 822702725 /nfs/dbraw/zinc/70/27/25/822702725.db2.gz VERPLBXOVNGJCJ-YYDVJCTNSA-N 1 0 388.559 4.229 20 0 GIADRO Cc1cc2ncc([C@@H](C)[NH2+][C@@H]3CCc4c3cccc4Br)c(C)n2n1 ZINC000180563339 822703271 /nfs/dbraw/zinc/70/32/71/822703271.db2.gz LYTIZGFAXTXIED-KZULUSFZSA-N 1 0 385.309 4.447 20 0 GIADRO Cc1ccnc(Oc2ccc(NC(=O)N3CCC(CCC[NH+](C)C)CC3)cc2)n1 ZINC000180565484 822703592 /nfs/dbraw/zinc/70/35/92/822703592.db2.gz NAKKZMDPJCDYJA-UHFFFAOYSA-N 1 0 397.523 4.163 20 0 GIADRO C[C@@H](CC(=O)N1CCC(CCC[NH+](C)C)CC1)C(=O)c1ccc(Cl)cc1 ZINC000180573317 822704690 /nfs/dbraw/zinc/70/46/90/822704690.db2.gz JVCUGUJSNBRGRU-INIZCTEOSA-N 1 0 378.944 4.129 20 0 GIADRO Cn1cc([C@@H]([NH2+]C[C@H](O)c2cc(Cl)cc(Cl)c2)c2cccc(F)c2)cn1 ZINC000180573480 822704703 /nfs/dbraw/zinc/70/47/03/822704703.db2.gz WWJOVZTYULGNSN-OALUTQOASA-N 1 0 394.277 4.279 20 0 GIADRO COc1ccc([C@@H]([NH2+]C[C@H](O)c2cc(OC)cc(OC)c2)c2ccccc2)cc1 ZINC000180572729 822704731 /nfs/dbraw/zinc/70/47/31/822704731.db2.gz KOTIBZQSLCPUPG-ZEQRLZLVSA-N 1 0 393.483 4.125 20 0 GIADRO CSCCC[NH2+][C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000180575173 822705178 /nfs/dbraw/zinc/70/51/78/822705178.db2.gz MBNHUZYPCWMZDV-SFHVURJKSA-N 1 0 383.966 4.176 20 0 GIADRO Cc1ccc(C)c([C@@H](NC2CC[NH+](C[C@H]3CCOC3)CC2)c2ccccc2)c1 ZINC000180575844 822705343 /nfs/dbraw/zinc/70/53/43/822705343.db2.gz HCTQHHHXWBCKCM-BWKNWUBXSA-N 1 0 378.560 4.483 20 0 GIADRO CC(=O)N(c1ccc(NC(=O)N(C)CC[NH+](C(C)C)C(C)C)cc1)[C@H]1C[C@H]1C ZINC000455697632 822705407 /nfs/dbraw/zinc/70/54/07/822705407.db2.gz JMADQEHUDXVLJC-UTKZUKDTSA-N 1 0 388.556 4.030 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1O)c1ccc(-n2cncn2)cc1 ZINC000184885246 822707256 /nfs/dbraw/zinc/70/72/56/822707256.db2.gz SZDYXUBCVYRREE-OLZOCXBDSA-N 1 0 387.281 4.147 20 0 GIADRO CC(=O)N(c1ccc(NC(=O)NCCC[NH+](C(C)C)C(C)C)cc1)[C@H]1C[C@@H]1C ZINC000455704685 822707755 /nfs/dbraw/zinc/70/77/55/822707755.db2.gz RITVIWFEXORFJI-UWJYYQICSA-N 1 0 388.556 4.078 20 0 GIADRO CC[C@H]1Cc2ccccc2CN1C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1 ZINC000184889045 822707820 /nfs/dbraw/zinc/70/78/20/822707820.db2.gz ANDDXARJFYDHCG-QFIPXVFZSA-N 1 0 392.547 4.197 20 0 GIADRO CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(C(F)(F)F)cs1 ZINC000180597911 822708289 /nfs/dbraw/zinc/70/82/89/822708289.db2.gz LGGQSEGELCEMJA-NWDGAFQWSA-N 1 0 393.475 4.335 20 0 GIADRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)Nc1ccccc1OCCF ZINC000455708581 822709098 /nfs/dbraw/zinc/70/90/98/822709098.db2.gz AMWMJPPCWGUTLA-INIZCTEOSA-N 1 0 391.512 4.130 20 0 GIADRO CNC(=O)c1cccc(CC[NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)c1 ZINC000180602299 822709500 /nfs/dbraw/zinc/70/95/00/822709500.db2.gz CECZANMNPSJSPS-UHFFFAOYSA-N 1 0 380.438 4.246 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)N3CCC[C@@H]3c3ccccc3)c2)CC1 ZINC000184897977 822709630 /nfs/dbraw/zinc/70/96/30/822709630.db2.gz VRUWDQDMXZDMML-JOCHJYFZSA-N 1 0 378.520 4.198 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)N([C@@H](C)c3ccco3)C3CC3)c2)CC1 ZINC000184902246 822710196 /nfs/dbraw/zinc/71/01/96/822710196.db2.gz KYDLJUKWMXRQOX-KRWDZBQOSA-N 1 0 382.508 4.179 20 0 GIADRO CCOc1cc(C[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)ccc1OCC(F)(F)F ZINC000180611156 822712170 /nfs/dbraw/zinc/71/21/70/822712170.db2.gz MSULCOBXJIEGGQ-DOTOQJQBSA-N 1 0 397.441 4.306 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)c(CC(=O)NC[C@@H](c2cccs2)[NH+](C)C)s1 ZINC000049958664 822712768 /nfs/dbraw/zinc/71/27/68/822712768.db2.gz WKUGNRCLNWBYEK-KRWDZBQOSA-N 1 0 399.585 4.450 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)c2cnn(-c3ccccc3Cl)c2)CC1 ZINC000049993571 822713366 /nfs/dbraw/zinc/71/33/66/822713366.db2.gz FCOHJOURWKGPHK-UHFFFAOYSA-N 1 0 388.943 4.110 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)c1ccc(Cl)c(Cl)c1 ZINC000184921734 822713533 /nfs/dbraw/zinc/71/35/33/822713533.db2.gz JMINLUUXWSSATA-ZDUSSCGKSA-N 1 0 399.343 4.384 20 0 GIADRO CC[C@H]([NH2+]Cc1cccc(C(=O)NCC(C)C)c1)c1ccc2c(c1)OCCO2 ZINC000180620397 822714090 /nfs/dbraw/zinc/71/40/90/822714090.db2.gz VZOYHYYICUNSLN-FQEVSTJZSA-N 1 0 382.504 4.085 20 0 GIADRO CC(C)CC(=O)Nc1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000050028388 822715058 /nfs/dbraw/zinc/71/50/58/822715058.db2.gz ANNJDXNLLCEDCX-OAQYLSRUSA-N 1 0 379.504 4.274 20 0 GIADRO COc1c(Cl)cccc1NC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000050059168 822716674 /nfs/dbraw/zinc/71/66/74/822716674.db2.gz GONVYKOAFZFSTG-AWEZNQCLSA-N 1 0 393.940 4.444 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2nc(CC(F)(F)F)cs2)C1 ZINC000455734100 822716737 /nfs/dbraw/zinc/71/67/37/822716737.db2.gz XIMNOVNMWIPJCW-OCCSQVGLSA-N 1 0 398.454 4.205 20 0 GIADRO Cc1sc([C@@H](C)[NH2+]C[C@H](C)CS(C)(=O)=O)nc1-c1ccc(Cl)cc1 ZINC000184947289 822716969 /nfs/dbraw/zinc/71/69/69/822716969.db2.gz AYOOZEBLDBLQGP-NWDGAFQWSA-N 1 0 386.970 4.103 20 0 GIADRO O=C(Nc1ccccc1OCCF)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000455740875 822717814 /nfs/dbraw/zinc/71/78/14/822717814.db2.gz XDEUCFZKXSKOFE-VQTJNVASSA-N 1 0 397.494 4.021 20 0 GIADRO Cc1cc2ccccc2c(NC(=O)NCc2ccncc2OCCC[NH+](C)C)c1 ZINC000455740623 822717835 /nfs/dbraw/zinc/71/78/35/822717835.db2.gz KFSQWKFKSKYJPF-UHFFFAOYSA-N 1 0 392.503 4.195 20 0 GIADRO Cc1cc2ccccc2c(NC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000455741906 822718001 /nfs/dbraw/zinc/71/80/01/822718001.db2.gz MNRWZUUSSWMCCD-VXKWHMMOSA-N 1 0 381.520 4.038 20 0 GIADRO O=C([C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000184955885 822718026 /nfs/dbraw/zinc/71/80/26/822718026.db2.gz QDAIZALCCHBITR-BPQIPLTHSA-N 1 0 394.481 4.322 20 0 GIADRO COc1cc(C)c(Br)cc1NC1CC[NH+](Cc2cccnc2)CC1 ZINC000184955738 822718046 /nfs/dbraw/zinc/71/80/46/822718046.db2.gz UQAHBRPCSVAITE-UHFFFAOYSA-N 1 0 390.325 4.238 20 0 GIADRO C[C@@H]1CN(C(=O)Nc2ccccc2OCCF)CC[N@H+](Cc2ccccc2)C1 ZINC000455742831 822718123 /nfs/dbraw/zinc/71/81/23/822718123.db2.gz ZUDBGCVFLAYOHN-SFHVURJKSA-N 1 0 385.483 4.021 20 0 GIADRO C[C@H]([NH2+]CCn1cccn1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000184956342 822718217 /nfs/dbraw/zinc/71/82/17/822718217.db2.gz ALAPVNNNTVGIJJ-LBPRGKRZSA-N 1 0 377.311 4.120 20 0 GIADRO CC(C)OC[C@H](O)C[NH2+][C@@H](C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000184957304 822718364 /nfs/dbraw/zinc/71/83/64/822718364.db2.gz GPPBYKKUGWIQKH-SWLSCSKDSA-N 1 0 399.354 4.009 20 0 GIADRO Cc1ccc(F)c(Br)c1NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000455750133 822719406 /nfs/dbraw/zinc/71/94/06/822719406.db2.gz LGLAHYNEGXLIDX-UHFFFAOYSA-N 1 0 386.309 4.327 20 0 GIADRO CCOc1ccc(Cl)c(NC(=O)N[C@H](C[NH+](C)C)c2ccc(OC)cc2)c1 ZINC000455753064 822719896 /nfs/dbraw/zinc/71/98/96/822719896.db2.gz JLUVJQJTUDSKLV-LJQANCHMSA-N 1 0 391.899 4.172 20 0 GIADRO CN(C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H]1CCc2ccccc21 ZINC000050137058 822720029 /nfs/dbraw/zinc/72/00/29/822720029.db2.gz MVDJSBOMCIXYFJ-DYESRHJHSA-N 1 0 383.561 4.289 20 0 GIADRO C[C@@H](NC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(F)cc1F ZINC000050137263 822720079 /nfs/dbraw/zinc/72/00/79/822720079.db2.gz GQXAIDHNTRBCOR-CABCVRRESA-N 1 0 393.503 4.299 20 0 GIADRO CCCn1ncc(NC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)c1C1CC1 ZINC000455755832 822720564 /nfs/dbraw/zinc/72/05/64/822720564.db2.gz PEQIVNKRDCOBRC-SFHVURJKSA-N 1 0 389.931 4.248 20 0 GIADRO Nc1ccc(F)c(NC(=O)CC[NH2+][C@H](Cc2ccccc2)c2cccs2)c1 ZINC000184979231 822720954 /nfs/dbraw/zinc/72/09/54/822720954.db2.gz CEJJWHATVKHSRC-LJQANCHMSA-N 1 0 383.492 4.372 20 0 GIADRO Cc1ccc(F)c(Br)c1NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000455758626 822720969 /nfs/dbraw/zinc/72/09/69/822720969.db2.gz VNKNKTRIOZYLDM-UHFFFAOYSA-N 1 0 398.320 4.425 20 0 GIADRO CSc1cccc(C)c1NC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000184984968 822721861 /nfs/dbraw/zinc/72/18/61/822721861.db2.gz SPEUBOOSOPDOCK-MRXNPFEDSA-N 1 0 384.549 4.459 20 0 GIADRO Cc1nc(C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(-c2ccccc2)o1 ZINC000185007621 822724699 /nfs/dbraw/zinc/72/46/99/822724699.db2.gz LOLCDGJESNZOPN-FQEVSTJZSA-N 1 0 389.499 4.244 20 0 GIADRO CC(C)Oc1cccc(NC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000455778125 822724940 /nfs/dbraw/zinc/72/49/40/822724940.db2.gz HBNYQELGBMDESV-UHFFFAOYSA-N 1 0 382.508 4.249 20 0 GIADRO CCOc1ccc(Cl)c(NC(=O)NCc2ccccc2OCC[NH+](C)C)c1 ZINC000455783719 822726045 /nfs/dbraw/zinc/72/60/45/822726045.db2.gz VXRRKIAMECHPIU-UHFFFAOYSA-N 1 0 391.899 4.001 20 0 GIADRO CSc1cccc(C)c1NC(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000185026681 822726845 /nfs/dbraw/zinc/72/68/45/822726845.db2.gz FHTBDXJTFHUWQY-IAGOWNOFSA-N 1 0 391.581 4.070 20 0 GIADRO Cn1cc(-c2cc(C[N@H+](Cc3cccc(-c4cccnc4)c3)C3CC3)on2)cn1 ZINC000185039472 822727997 /nfs/dbraw/zinc/72/79/97/822727997.db2.gz XPOZDYXSGKWQAJ-UHFFFAOYSA-N 1 0 385.471 4.302 20 0 GIADRO CC[C@@H](C)n1c2ccc(NC(=O)N3CC[C@H]([NH+](C)C)C3)cc2nc1C(F)(F)F ZINC000455797820 822728545 /nfs/dbraw/zinc/72/85/45/822728545.db2.gz RARZVRLUCYSEBE-OCCSQVGLSA-N 1 0 397.445 4.194 20 0 GIADRO C[C@@H]1C[NH+](CC2CCN(C(=O)Nc3ccccc3C(C)(F)F)CC2)C[C@@H](C)O1 ZINC000455806776 822729848 /nfs/dbraw/zinc/72/98/48/822729848.db2.gz LOLJKHUONRGLOP-HZPDHXFCSA-N 1 0 395.494 4.151 20 0 GIADRO CC(C)C(=O)c1ccc(NC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000455808378 822730135 /nfs/dbraw/zinc/73/01/35/822730135.db2.gz AVNQCONYMKNHET-FQEVSTJZSA-N 1 0 393.531 4.211 20 0 GIADRO CCCn1ncc(NC(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)c1C1CC1 ZINC000455820183 822731848 /nfs/dbraw/zinc/73/18/48/822731848.db2.gz BEBOMZZWZDCXBS-HXUWFJFHSA-N 1 0 395.551 4.347 20 0 GIADRO Cc1ccc(C(=O)Nc2ccc(OCC[N@H+]3CC[C@@H](C)C3)cc2)c(C2CC2)n1 ZINC000455822933 822732358 /nfs/dbraw/zinc/73/23/58/822732358.db2.gz MRDGZTXKTSBHLJ-MRXNPFEDSA-N 1 0 379.504 4.240 20 0 GIADRO Cc1nc(C(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c(-c2ccccc2)o1 ZINC000185069867 822732416 /nfs/dbraw/zinc/73/24/16/822732416.db2.gz QKSAEAMTVFHVEH-OAQYLSRUSA-N 1 0 389.499 4.387 20 0 GIADRO CCCn1ncc(NC(=O)NC[C@@H](c2ccsc2)[NH+](CC)CC)c1C1CC1 ZINC000455829798 822733305 /nfs/dbraw/zinc/73/33/05/822733305.db2.gz MRSCYBISKNDFNL-SFHVURJKSA-N 1 0 389.569 4.437 20 0 GIADRO CN(C[C@H]1OCCc2ccccc21)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455836148 822734108 /nfs/dbraw/zinc/73/41/08/822734108.db2.gz ASZCLQSRSFQRLD-FGZHOGPDSA-N 1 0 379.504 4.013 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N[C@H](CCO)c3ccc(Cl)cc3)ccc21 ZINC000455837631 822734615 /nfs/dbraw/zinc/73/46/15/822734615.db2.gz BPHWWDWZBKJAEV-UXHICEINSA-N 1 0 387.911 4.134 20 0 GIADRO CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455840225 822735132 /nfs/dbraw/zinc/73/51/32/822735132.db2.gz DCYZIZNJUPKUAK-IFZYUDKTSA-N 1 0 385.483 4.272 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)NCc3sccc3Br)ccc21 ZINC000455841657 822735367 /nfs/dbraw/zinc/73/53/67/822735367.db2.gz DXIFBWPUBMELAD-HNNXBMFYSA-N 1 0 394.338 4.381 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)NC[C@H]3CCCN(c4ccccc4)C3)ccc21 ZINC000455841652 822735383 /nfs/dbraw/zinc/73/53/83/822735383.db2.gz DWZLKGBKXVEASQ-JPYJTQIMSA-N 1 0 392.547 4.274 20 0 GIADRO Cn1c(CNC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)nc2cc(Cl)ccc21 ZINC000455846308 822736195 /nfs/dbraw/zinc/73/61/95/822736195.db2.gz IHEJZBNHYNQXJV-SFHVURJKSA-N 1 0 397.910 4.097 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)NC(C)(C)c3cc(C(F)(F)F)on3)ccc21 ZINC000455853062 822737309 /nfs/dbraw/zinc/73/73/09/822737309.db2.gz MKWKEDOLHCBOTL-AWEZNQCLSA-N 1 0 396.413 4.299 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CC(Cc4ccc(F)c(F)c4)C3)ccc21 ZINC000455853951 822737506 /nfs/dbraw/zinc/73/75/06/822737506.db2.gz MSLZWUUEPPCTMN-OAQYLSRUSA-N 1 0 385.458 4.220 20 0 GIADRO COc1cccc(-c2noc([C@H](C)NCc3ccc(C(=O)OC(C)C)cc3)n2)c1 ZINC000185114829 822738985 /nfs/dbraw/zinc/73/89/85/822738985.db2.gz HIDNAWBKCXUWPG-HNNXBMFYSA-N 1 0 395.459 4.161 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CCO[C@H](c4ccc(Cl)cc4)C3)ccc21 ZINC000455865137 822739223 /nfs/dbraw/zinc/73/92/23/822739223.db2.gz TZMVMNWNSDPYPO-SFTDATJTSA-N 1 0 399.922 4.494 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N(Cc3ccccc3)[C@H](CO)C3CC3)ccc21 ZINC000455872722 822740576 /nfs/dbraw/zinc/74/05/76/822740576.db2.gz YXEILZPVLIKYRE-DHIUTWEWSA-N 1 0 393.531 4.041 20 0 GIADRO CC(C)c1nc([C@@H]2CCCN(C(=O)Nc3ccc4c(c3)CC[C@H]4[NH+](C)C)C2)no1 ZINC000455873800 822740747 /nfs/dbraw/zinc/74/07/47/822740747.db2.gz ABWLWHPTUPRPJI-VQIMIIECSA-N 1 0 397.523 4.153 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)Nc3ccc(NC4CCOCC4)cc3)ccc21 ZINC000455873772 822740763 /nfs/dbraw/zinc/74/07/63/822740763.db2.gz ABTXMGJPHKWLQQ-JOCHJYFZSA-N 1 0 394.519 4.470 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CCC(C(=O)c4ccccc4)CC3)ccc21 ZINC000455873907 822740775 /nfs/dbraw/zinc/74/07/75/822740775.db2.gz AEECMACTWHNJHQ-QFIPXVFZSA-N 1 0 391.515 4.362 20 0 GIADRO COc1ccccc1OC[C@H](C)CNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455875254 822740892 /nfs/dbraw/zinc/74/08/92/822740892.db2.gz AVPAVFRVKDWTPU-UZLBHIALSA-N 1 0 397.519 4.081 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N(Cc3cc[nH]n3)Cc3ccccc3)ccc21 ZINC000455876878 822741212 /nfs/dbraw/zinc/74/12/12/822741212.db2.gz BNMTZFMZBQTYFU-QFIPXVFZSA-N 1 0 389.503 4.193 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCc3csc(Br)c3)ccc21 ZINC000455892931 822743696 /nfs/dbraw/zinc/74/36/96/822743696.db2.gz CBKOXOVTFRKEHT-OAHLLOKOSA-N 1 0 394.338 4.381 20 0 GIADRO O=C(Nc1ccc2c(n1)CCC2)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000455896135 822744157 /nfs/dbraw/zinc/74/41/57/822744157.db2.gz URDYLFCREWQJEM-UHFFFAOYSA-N 1 0 390.531 4.090 20 0 GIADRO C[C@@H]1C[C@H](c2cccnc2)N(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000185162164 822744432 /nfs/dbraw/zinc/74/44/32/822744432.db2.gz NXAPHUKFCHNEJD-QIJUGHKUSA-N 1 0 378.520 4.011 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)Nc3cnn(Cc4ccccc4)c3)ccc21 ZINC000455900411 822744831 /nfs/dbraw/zinc/74/48/31/822744831.db2.gz FUCZMCAMPMHYQM-OAQYLSRUSA-N 1 0 375.476 4.124 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)Nc1cccc2c(Br)ccnc12 ZINC000455899965 822744914 /nfs/dbraw/zinc/74/49/14/822744914.db2.gz OGEPGFVMEUOIEX-UHFFFAOYSA-N 1 0 393.329 4.239 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N(CCO)[C@@H]3CCCc4ccccc43)ccc21 ZINC000455905442 822746297 /nfs/dbraw/zinc/74/62/97/822746297.db2.gz HNLGIFKWGAWQIN-XZOQPEGZSA-N 1 0 393.531 4.139 20 0 GIADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2scnc2C2CCCC2)CC1 ZINC000185182514 822746442 /nfs/dbraw/zinc/74/64/42/822746442.db2.gz IXJIBYTXEVHAQO-OAHLLOKOSA-N 1 0 384.549 4.151 20 0 GIADRO Cc1ccc(C)c(OC[C@H](O)C[N@@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)c1 ZINC000051131967 822746961 /nfs/dbraw/zinc/74/69/61/822746961.db2.gz VANOQMMBVWIGQI-WMTXJRDZSA-N 1 0 383.532 4.143 20 0 GIADRO C[N@H+](CCC(=O)N1CCc2sccc2C1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051131981 822747104 /nfs/dbraw/zinc/74/71/04/822747104.db2.gz HNEMNZCAOVSDES-NZQKXSOJSA-N 1 0 398.572 4.123 20 0 GIADRO COc1ccc(C[NH2+][C@H]2CCCO[C@H]2CC(C)C)cc1OCc1cccnc1 ZINC000185189167 822747180 /nfs/dbraw/zinc/74/71/80/822747180.db2.gz ODVARRLQTZYVLT-UNMCSNQZSA-N 1 0 384.520 4.353 20 0 GIADRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(Cl)cc1)c1ccc2ccccc2c1O ZINC000185190667 822747426 /nfs/dbraw/zinc/74/74/26/822747426.db2.gz NTNXYXLPCWQBMO-AWEZNQCLSA-N 1 0 389.904 4.323 20 0 GIADRO C[N@@H+](CC(=O)Nc1cc(C(C)(C)C)no1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132981 822747462 /nfs/dbraw/zinc/74/74/62/822747462.db2.gz FYUNOIPRBJOMOT-LAUBAEHRSA-N 1 0 385.508 4.010 20 0 GIADRO CCc1ccc(NC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000455914857 822748293 /nfs/dbraw/zinc/74/82/93/822748293.db2.gz SMLPECDWUGQILW-UHFFFAOYSA-N 1 0 381.520 4.386 20 0 GIADRO C[C@H](NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)c1ccc(-n2cccn2)cc1 ZINC000455919706 822749421 /nfs/dbraw/zinc/74/94/21/822749421.db2.gz LPAAFANYIUHWQM-AOMKIAJQSA-N 1 0 389.503 4.304 20 0 GIADRO Cc1cccn2cc(COc3ccc(C[NH2+]CCc4nccs4)cc3)nc12 ZINC000051189585 822749916 /nfs/dbraw/zinc/74/99/16/822749916.db2.gz GUQSZPIWOVZMEQ-UHFFFAOYSA-N 1 0 378.501 4.011 20 0 GIADRO CCOc1cc(C[NH2+]C2(c3ccccc3)CCC2)ccc1O[C@H](C)C(=O)N(C)C ZINC000051188671 822749920 /nfs/dbraw/zinc/74/99/20/822749920.db2.gz PLOLFRAFMSCPMH-GOSISDBHSA-N 1 0 396.531 4.110 20 0 GIADRO CO[C@@H](CNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)c1ccc(Cl)cc1 ZINC000455923526 822750217 /nfs/dbraw/zinc/75/02/17/822750217.db2.gz MJSQCMVINGEPCB-PMACEKPBSA-N 1 0 387.911 4.398 20 0 GIADRO COc1ccc([C@H](OC)[C@H](C)NC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)cc1 ZINC000455925247 822750482 /nfs/dbraw/zinc/75/04/82/822750482.db2.gz MXQPJKQVMNDDQO-UZQPLGKSSA-N 1 0 397.519 4.142 20 0 GIADRO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[NH+]1CCN(c2ccccn2)CC1 ZINC000051214205 822750760 /nfs/dbraw/zinc/75/07/60/822750760.db2.gz IYBCWTRWIYJHBR-IBGZPJMESA-N 1 0 386.499 4.217 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCC[C@H]3c3nc4ccccc4[nH]3)ccc21 ZINC000455928055 822751100 /nfs/dbraw/zinc/75/11/00/822751100.db2.gz NTHYMPHISLYKPB-RTWAWAEBSA-N 1 0 389.503 4.481 20 0 GIADRO COCCc1nc2cc(NC(=O)Nc3ccc4c(c3)CC[C@@H]4[NH+](C)C)ccc2o1 ZINC000455929172 822751279 /nfs/dbraw/zinc/75/12/79/822751279.db2.gz OJUZZXLKOVSJLX-IBGZPJMESA-N 1 0 394.475 4.210 20 0 GIADRO CC[C@H](O)CN(Cc1ccccc1)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455929954 822751460 /nfs/dbraw/zinc/75/14/60/822751460.db2.gz OMNUSFHEKLPMKQ-UNMCSNQZSA-N 1 0 381.520 4.041 20 0 GIADRO COc1ccc(OC)c([C@@H](C)NC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)c1 ZINC000455932566 822752204 /nfs/dbraw/zinc/75/22/04/822752204.db2.gz QBBPUVXCEGFUKG-VLIAUNLRSA-N 1 0 383.492 4.135 20 0 GIADRO CCCCCn1cc(CNC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)c(C)n1 ZINC000455933218 822752334 /nfs/dbraw/zinc/75/23/34/822752334.db2.gz QLYRKAHGRXCUKP-OAQYLSRUSA-N 1 0 383.540 4.252 20 0 GIADRO COc1cc(C[N@H+](C[C@H](O)c2c(F)cccc2F)C2CC2)ccc1OC(F)F ZINC000051262166 822752539 /nfs/dbraw/zinc/75/25/39/822752539.db2.gz IYVGCCNGBPYZHA-INIZCTEOSA-N 1 0 399.384 4.273 20 0 GIADRO O=[N+]([O-])c1ccc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cc1Cl ZINC000185234470 822752737 /nfs/dbraw/zinc/75/27/37/822752737.db2.gz QPYLJLDMFQHBSM-INIZCTEOSA-N 1 0 376.840 4.135 20 0 GIADRO CC[C@@H](CSC)NC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000455935490 822752816 /nfs/dbraw/zinc/75/28/16/822752816.db2.gz AUDDYGMWBVWQSE-AWEZNQCLSA-N 1 0 385.961 4.076 20 0 GIADRO COc1ccc(C[C@H](C)C[N@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1F ZINC000185237022 822753045 /nfs/dbraw/zinc/75/30/45/822753045.db2.gz WWTWGZRAOPKMKN-HOTGVXAUSA-N 1 0 393.524 4.109 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc21 ZINC000455937245 822753124 /nfs/dbraw/zinc/75/31/24/822753124.db2.gz SDJBNQIOCXDDIG-NRFANRHFSA-N 1 0 398.938 4.243 20 0 GIADRO C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000185240147 822753427 /nfs/dbraw/zinc/75/34/27/822753427.db2.gz ZQCWVJHEGAIACQ-NEWSRXKRSA-N 1 0 384.549 4.073 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N(Cc3ccco3)Cc3cccnc3)ccc21 ZINC000455939853 822753768 /nfs/dbraw/zinc/75/37/68/822753768.db2.gz TWLLRTNEDWOHSD-JOCHJYFZSA-N 1 0 390.487 4.458 20 0 GIADRO CSCC[C@H](C)N(C)C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000455942249 822754419 /nfs/dbraw/zinc/75/44/19/822754419.db2.gz KFYBWSGEVPJNMX-AWEZNQCLSA-N 1 0 399.988 4.418 20 0 GIADRO C[C@@H](C1CCC1)N(C)C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000455943737 822754868 /nfs/dbraw/zinc/75/48/68/822754868.db2.gz LSRIASIPPNSAPX-AWEZNQCLSA-N 1 0 379.932 4.465 20 0 GIADRO Cc1cccc(N2CCN(C(=O)Nc3ccc4c(c3)CC[C@H]4[NH+](C)C)CC2)c1C ZINC000455945595 822755402 /nfs/dbraw/zinc/75/54/02/822755402.db2.gz WMLMBICAKANGOX-HSZRJFAPSA-N 1 0 392.547 4.206 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)N2CC[C@@H](C3CC3)C2)CC1 ZINC000455945869 822755572 /nfs/dbraw/zinc/75/55/72/822755572.db2.gz PKHWETNNRFSQEH-OAHLLOKOSA-N 1 0 377.916 4.077 20 0 GIADRO Cc1csc([C@@H]2CCCN(C(=O)Nc3ccc4c(c3)CC[C@@H]4[NH+](C)C)C2)n1 ZINC000455947003 822755900 /nfs/dbraw/zinc/75/59/00/822755900.db2.gz XEZFAHCNNPXYQK-APWZRJJASA-N 1 0 384.549 4.412 20 0 GIADRO CCSCCCNC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000455950973 822756708 /nfs/dbraw/zinc/75/67/08/822756708.db2.gz YWAFBHPCLRFCEQ-UHFFFAOYSA-N 1 0 385.961 4.078 20 0 GIADRO C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1nc(C2CCCCC2)no1 ZINC000185273650 822757888 /nfs/dbraw/zinc/75/78/88/822757888.db2.gz DRHMONRQTCAQND-CABCVRRESA-N 1 0 378.517 4.025 20 0 GIADRO CC(C)CCc1ccc(NC(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)nc1 ZINC000455964635 822758294 /nfs/dbraw/zinc/75/82/94/822758294.db2.gz RTDCUIMQYMZLSX-SFHVURJKSA-N 1 0 395.551 4.412 20 0 GIADRO CCC(CC)C(=O)N1CCC([NH2+]C[C@H](C)Cc2ccc(OC)c(F)c2)CC1 ZINC000185276687 822758364 /nfs/dbraw/zinc/75/83/64/822758364.db2.gz LYWHJVIEGRFEFT-MRXNPFEDSA-N 1 0 378.532 4.030 20 0 GIADRO Fc1cc(C[NH2+][C@H]2CCSc3ccc(Cl)cc32)cnc1N1CCOCC1 ZINC000185277197 822758375 /nfs/dbraw/zinc/75/83/75/822758375.db2.gz IKSLJOPUQHEGFT-KRWDZBQOSA-N 1 0 393.915 4.037 20 0 GIADRO C#CC[NH+]1CCC(C(=O)Nc2ccc(NCc3ccccc3)c(Cl)c2)CC1 ZINC000051412179 822759337 /nfs/dbraw/zinc/75/93/37/822759337.db2.gz DMDUGSTYJLDNCO-UHFFFAOYSA-N 1 0 381.907 4.236 20 0 GIADRO O=C([C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000185284902 822759541 /nfs/dbraw/zinc/75/95/41/822759541.db2.gz NSNSEKMRCQBXAM-MSOLQXFVSA-N 1 0 394.481 4.322 20 0 GIADRO CSCc1cc(C(=O)Nc2ccc(C)cc2OCC[NH+](C)C)ccc1F ZINC000174275395 822761050 /nfs/dbraw/zinc/76/10/50/822761050.db2.gz ULSMBCULIMJSRT-UHFFFAOYSA-N 1 0 376.497 4.190 20 0 GIADRO C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1)c1ccc(Cl)c2ccccc21 ZINC000185322309 822765801 /nfs/dbraw/zinc/76/58/01/822765801.db2.gz XMNPCOHAUQTLER-YCRPNKLZSA-N 1 0 386.923 4.314 20 0 GIADRO Cc1cc(NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)ccc1C(F)(F)F ZINC000174298991 822766465 /nfs/dbraw/zinc/76/64/65/822766465.db2.gz RJDKCQYVVNAZOL-UHFFFAOYSA-N 1 0 392.425 4.195 20 0 GIADRO C[C@H](c1ccc(C(=O)N[C@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc1)C(F)(F)F ZINC000456014534 822766585 /nfs/dbraw/zinc/76/65/85/822766585.db2.gz ZJHAQTAXYIJSGV-CCKFTAQKSA-N 1 0 376.422 4.180 20 0 GIADRO O=C1Nc2ccccc2C12CCC([NH2+][C@H]1CCO[C@H](c3ccccc3)C1)CC2 ZINC000185335861 822767814 /nfs/dbraw/zinc/76/78/14/822767814.db2.gz FVXTZAPLTYCELR-FIKJNTHVSA-N 1 0 376.500 4.329 20 0 GIADRO CC(=O)N1CC[C@H]([NH2+]Cc2cccc(OC(F)(F)F)c2)c2ccc(F)cc2C1 ZINC000185354227 822770193 /nfs/dbraw/zinc/77/01/93/822770193.db2.gz MXYWIBKVNJHZPF-IBGZPJMESA-N 1 0 396.384 4.307 20 0 GIADRO CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)c2ccc(F)cc2C1 ZINC000185355064 822770412 /nfs/dbraw/zinc/77/04/12/822770412.db2.gz ICQBMORECZANMQ-IBGZPJMESA-N 1 0 380.385 4.428 20 0 GIADRO C[NH+](C)Cc1ccccc1C(=O)N1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000456048773 822771000 /nfs/dbraw/zinc/77/10/00/822771000.db2.gz FGTGNEFLEMZRBO-UHFFFAOYSA-N 1 0 397.466 4.243 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)N[C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)c1C ZINC000185364620 822772350 /nfs/dbraw/zinc/77/23/50/822772350.db2.gz LBNZJDFCQDRVEG-QFIPXVFZSA-N 1 0 396.535 4.232 20 0 GIADRO CC(=O)Nc1cc(NC(=O)N[C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)ccc1C ZINC000185375960 822774531 /nfs/dbraw/zinc/77/45/31/822774531.db2.gz VKRYQANQNZIOAH-QFIPXVFZSA-N 1 0 396.535 4.232 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)N(C)C(C1CC1)C1CC1)[NH+]1CCCCC1 ZINC000051710594 822775614 /nfs/dbraw/zinc/77/56/14/822775614.db2.gz XSXXNFRMXHGQON-FQEVSTJZSA-N 1 0 385.552 4.052 20 0 GIADRO COc1ccc(C2(CNC(=O)N(C)[C@H]3CC[N@H+](C)[C@H](C)C3)CCCCC2)cc1 ZINC000174345595 822775623 /nfs/dbraw/zinc/77/56/23/822775623.db2.gz MJMLEISNTPHYHC-QUCCMNQESA-N 1 0 387.568 4.021 20 0 GIADRO COc1ccccc1SC[C@@H](C)C[NH2+]Cc1ccc(-n2cncn2)c(C)c1 ZINC000174347526 822776125 /nfs/dbraw/zinc/77/61/25/822776125.db2.gz YVNNVBXUYFNPNY-INIZCTEOSA-N 1 0 382.533 4.102 20 0 GIADRO CN(C(=O)c1ccc(C[NH+]2CCCCC2)cc1)[C@@H](CO)c1ccc(Cl)cc1 ZINC000456086566 822776210 /nfs/dbraw/zinc/77/62/10/822776210.db2.gz YIWVZRHUMVQGDK-NRFANRHFSA-N 1 0 386.923 4.132 20 0 GIADRO Cc1nnc(-c2cccc(NC(=O)c3oc4ccccc4c3C[NH+](C)C)c2)o1 ZINC000174349145 822776267 /nfs/dbraw/zinc/77/62/67/822776267.db2.gz UMPAUYNVSAJXAC-UHFFFAOYSA-N 1 0 376.416 4.105 20 0 GIADRO CC(C)CC(=O)Nc1ccc(NC(=O)NCCC[NH+](C(C)C)C(C)C)cc1 ZINC000174355090 822776988 /nfs/dbraw/zinc/77/69/88/822776988.db2.gz IISMGOJRJMOUPK-UHFFFAOYSA-N 1 0 376.545 4.302 20 0 GIADRO Fc1ccc(-c2nc(CC[NH2+]C3CCN(Cc4ccccc4)CC3)co2)cc1 ZINC000174356105 822777201 /nfs/dbraw/zinc/77/72/01/822777201.db2.gz RLKBOECTBDMAFQ-UHFFFAOYSA-N 1 0 379.479 4.277 20 0 GIADRO C[C@H](CCNC(=O)N(C)CC1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000174360858 822777763 /nfs/dbraw/zinc/77/77/63/822777763.db2.gz RRCJOZCXBFUJJK-OAHLLOKOSA-N 1 0 385.474 4.182 20 0 GIADRO CC1(C(=O)N2CCO[C@@H](c3cccc(F)c3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000185397398 822778404 /nfs/dbraw/zinc/77/84/04/822778404.db2.gz CSUYIFORJATHNR-JOCHJYFZSA-N 1 0 396.506 4.028 20 0 GIADRO O[C@H](C[NH2+]Cc1ccc(OCC(F)F)cc1)c1cccc(C(F)(F)F)c1 ZINC000174369552 822779405 /nfs/dbraw/zinc/77/94/05/822779405.db2.gz PMJWSXBYVIWYJQ-MRXNPFEDSA-N 1 0 375.337 4.173 20 0 GIADRO COc1cc(CN(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1OC(F)F ZINC000174398837 822784344 /nfs/dbraw/zinc/78/43/44/822784344.db2.gz GSZKMXMBIPBRFA-IBGZPJMESA-N 1 0 390.474 4.251 20 0 GIADRO CC(C)c1ccccc1NC(=O)CN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174400102 822784530 /nfs/dbraw/zinc/78/45/30/822784530.db2.gz VKLFEFAIFVXNPQ-OAQYLSRUSA-N 1 0 379.548 4.202 20 0 GIADRO CN(Cc1nnc(-c2cccc(Cl)c2)o1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174400441 822784594 /nfs/dbraw/zinc/78/45/94/822784594.db2.gz OCWJMMDLELAMSQ-SFHVURJKSA-N 1 0 396.922 4.344 20 0 GIADRO CN(C[C@H](O)c1ccccc1C(F)(F)F)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174400411 822784609 /nfs/dbraw/zinc/78/46/09/822784609.db2.gz IMDYWPJYFWUREB-RXVVDRJESA-N 1 0 392.465 4.193 20 0 GIADRO Cc1sc(NC(=O)CN(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C)c1C ZINC000174401838 822784999 /nfs/dbraw/zinc/78/49/99/822784999.db2.gz UMFNAYCBQPKSJH-HXUWFJFHSA-N 1 0 385.577 4.066 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(NC(N)=O)cc1)c1cc(Br)ccc1O ZINC000185445533 822785022 /nfs/dbraw/zinc/78/50/22/822785022.db2.gz IPZJWUJGJQYKPL-WDEREUQCSA-N 1 0 378.270 4.057 20 0 GIADRO Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)NC(C)(C)CCC[NH+](C)C ZINC000456163296 822785513 /nfs/dbraw/zinc/78/55/13/822785513.db2.gz FZFQLDBNJOYGIN-UHFFFAOYSA-N 1 0 398.595 4.026 20 0 GIADRO CCOc1cc(C[NH2+][C@@H](C)c2cc(Br)ccc2O)ccc1OC ZINC000185452483 822786230 /nfs/dbraw/zinc/78/62/30/822786230.db2.gz FVVIVBSGWIOHAC-LBPRGKRZSA-N 1 0 380.282 4.413 20 0 GIADRO C[C@H](CC(=O)NC(C)(C)CCC[NH+](C)C)c1ccc(F)c(Br)c1 ZINC000456176601 822786536 /nfs/dbraw/zinc/78/65/36/822786536.db2.gz WWCXBRJOIBBLCQ-CYBMUJFWSA-N 1 0 387.337 4.318 20 0 GIADRO CCOc1ccccc1[C@@H](CC(C)C)NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000174410818 822786571 /nfs/dbraw/zinc/78/65/71/822786571.db2.gz UTLGJOWAZLSGSN-OAQYLSRUSA-N 1 0 387.568 4.442 20 0 GIADRO C[C@H](CC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1)C(=O)c1cccc(F)c1 ZINC000174411622 822786583 /nfs/dbraw/zinc/78/65/83/822786583.db2.gz MZTHWKHKIPBBCW-RTBURBONSA-N 1 0 388.527 4.005 20 0 GIADRO C[C@@H](CCNC(=O)c1cc(F)cc2[nH]c(=S)[nH]c21)[N@H+](C)Cc1ccccc1 ZINC000174417385 822787349 /nfs/dbraw/zinc/78/73/49/822787349.db2.gz JGAHFIUBGGGCNZ-ZDUSSCGKSA-N 1 0 386.496 4.005 20 0 GIADRO CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1 ZINC000174418444 822787441 /nfs/dbraw/zinc/78/74/41/822787441.db2.gz JNKHWGVZYKLYTD-HZPDHXFCSA-N 1 0 392.544 4.124 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)c1ccc(NC(=O)Nc2ccccc2)s1 ZINC000456196772 822787731 /nfs/dbraw/zinc/78/77/31/822787731.db2.gz ICPWIQPHNFLOLP-UHFFFAOYSA-N 1 0 388.537 4.242 20 0 GIADRO Cc1cc(C)c(NC(=O)CCC[NH2+][C@H](C)c2cn(-c3ccccc3)nn2)c(C)c1 ZINC000185472035 822788078 /nfs/dbraw/zinc/78/80/78/822788078.db2.gz YZJSWLYAKDACEG-LJQANCHMSA-N 1 0 391.519 4.262 20 0 GIADRO Cc1cc(-c2cc(C(=O)NC(C)(C)CCC[NH+](C)C)c3c(C)noc3n2)c(C)o1 ZINC000456210245 822788230 /nfs/dbraw/zinc/78/82/30/822788230.db2.gz WPDWIYIQEODBTB-UHFFFAOYSA-N 1 0 398.507 4.258 20 0 GIADRO Cc1noc2nc(-c3ccccc3)cc(C(=O)NC(C)(C)CCC[NH+](C)C)c12 ZINC000456213672 822788267 /nfs/dbraw/zinc/78/82/67/822788267.db2.gz ZZJKINCHWSCPEA-UHFFFAOYSA-N 1 0 380.492 4.048 20 0 GIADRO c1cnc2c(c1)cccc2OCCC[NH2+]Cc1ccc(Oc2cnccn2)cc1 ZINC000174424550 822788252 /nfs/dbraw/zinc/78/82/52/822788252.db2.gz SUSYXBIQJFGKDN-UHFFFAOYSA-N 1 0 386.455 4.376 20 0 GIADRO CC(=O)N(c1nc(C[NH2+]CCCC(C)(C)CO)cs1)c1ccc(C)cc1 ZINC000174426066 822788446 /nfs/dbraw/zinc/78/84/46/822788446.db2.gz BAQLGJWSEZKXMU-UHFFFAOYSA-N 1 0 375.538 4.024 20 0 GIADRO CC(C)c1noc(-c2ccnc(N3CC[NH+]([C@@H](C)c4ccsc4)CC3)c2)n1 ZINC000185484330 822789404 /nfs/dbraw/zinc/78/94/04/822789404.db2.gz VECBJWKMIDOALG-HNNXBMFYSA-N 1 0 383.521 4.200 20 0 GIADRO CCc1cc(N2CC[NH+]([C@H](C)c3ccsc3)CC2)nc(-c2ccncc2)n1 ZINC000185483098 822789429 /nfs/dbraw/zinc/78/94/29/822789429.db2.gz UECSJUFIRLOUCP-MRXNPFEDSA-N 1 0 379.533 4.046 20 0 GIADRO Cc1nc(-c2ccc(Cl)c(Cl)c2)n(CN2CCC[N@@H+](C(C)(C)C)CC2)n1 ZINC000052087178 822790146 /nfs/dbraw/zinc/79/01/46/822790146.db2.gz JGLDMTZZROPKBW-UHFFFAOYSA-N 1 0 396.366 4.324 20 0 GIADRO Cc1ccc(C[NH2+]Cc2cccnc2Oc2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000174445856 822790718 /nfs/dbraw/zinc/79/07/18/822790718.db2.gz GBSBXPALYNHCBR-UHFFFAOYSA-N 1 0 396.512 4.184 20 0 GIADRO Cc1ccc(C)c(C[NH2+]Cc2cccnc2Oc2cccc(S(C)(=O)=O)c2)c1 ZINC000174445876 822790782 /nfs/dbraw/zinc/79/07/82/822790782.db2.gz FWJJTTODBREIPE-UHFFFAOYSA-N 1 0 396.512 4.184 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)CCCNC(=O)c3ccc(Cl)cc3)ccc21 ZINC000456260457 822791156 /nfs/dbraw/zinc/79/11/56/822791156.db2.gz ICYGQKYLQJACEI-FQEVSTJZSA-N 1 0 399.922 4.038 20 0 GIADRO O=C(NCc1ccc(C(F)F)cc1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000185501497 822791310 /nfs/dbraw/zinc/79/13/10/822791310.db2.gz PZPSNMLWXDRYFL-INIZCTEOSA-N 1 0 379.476 4.322 20 0 GIADRO Cc1cnc([C@@H](NC(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)C2CC2)s1 ZINC000174452765 822791768 /nfs/dbraw/zinc/79/17/68/822791768.db2.gz YNEMZCCLAITGOF-UXHICEINSA-N 1 0 398.576 4.347 20 0 GIADRO Cc1c(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000456268245 822791946 /nfs/dbraw/zinc/79/19/46/822791946.db2.gz JCMHSUDBHZWLLD-GOSISDBHSA-N 1 0 379.504 4.279 20 0 GIADRO COc1ccc(C(=O)Nc2cccc(C[NH2+]CCCCn3ccnc3C)c2)cc1 ZINC000174453334 822792002 /nfs/dbraw/zinc/79/20/02/822792002.db2.gz VQUYSFISJLVIPV-UHFFFAOYSA-N 1 0 392.503 4.022 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)C3(Cc4ccccc4)CCOCC3)ccc21 ZINC000456268408 822792100 /nfs/dbraw/zinc/79/21/00/822792100.db2.gz SHRRVTZFODVWBU-JOCHJYFZSA-N 1 0 378.516 4.214 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000456275987 822792875 /nfs/dbraw/zinc/79/28/75/822792875.db2.gz NSPMRDYBFYVWLF-QHCPKHFHSA-N 1 0 388.515 4.219 20 0 GIADRO CC(=O)CCc1ccc(O[C@H](C)C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)cc1 ZINC000456276756 822792947 /nfs/dbraw/zinc/79/29/47/822792947.db2.gz OBCBCENTUOYLAI-UZUQRXQVSA-N 1 0 394.515 4.163 20 0 GIADRO COCC[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)c1cccc(C(F)(F)F)c1 ZINC000456280261 822793535 /nfs/dbraw/zinc/79/35/35/822793535.db2.gz FBGLCHMIQFGVRS-IBGZPJMESA-N 1 0 394.437 4.275 20 0 GIADRO c1c(C[NH2+]CCCOC2CCOCC2)c(-c2ccccc2)nn1-c1ccccc1 ZINC000174463174 822793596 /nfs/dbraw/zinc/79/35/96/822793596.db2.gz MSBVSYLBLPAHCS-UHFFFAOYSA-N 1 0 391.515 4.215 20 0 GIADRO Cc1nn(C)c(=O)c(-c2nc(C[NH2+][C@@H](C)[C@H](C)C3CCCCC3)cs2)c1C ZINC000185528451 822793704 /nfs/dbraw/zinc/79/37/04/822793704.db2.gz UOQSBFMDMHOJOO-ZFWWWQNUSA-N 1 0 388.581 4.215 20 0 GIADRO CSc1cc(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)ccc1NC(C)=O ZINC000456282572 822793809 /nfs/dbraw/zinc/79/38/09/822793809.db2.gz SAKZOWIBAYNQCU-LJQANCHMSA-N 1 0 383.517 4.168 20 0 GIADRO CN(C(=O)N[C@@H]1CCCc2sccc21)C1CC[NH+](Cc2ccccc2)CC1 ZINC000185536409 822794445 /nfs/dbraw/zinc/79/44/45/822794445.db2.gz QFUKCKBNGJZGRT-HXUWFJFHSA-N 1 0 383.561 4.432 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)c3ccc(C(=O)NCC(C)(C)C)cc3)ccc21 ZINC000456292058 822794979 /nfs/dbraw/zinc/79/49/79/822794979.db2.gz ZNPJYZXQPZMFIL-OAQYLSRUSA-N 1 0 393.531 4.264 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1c(Cl)cccc1C(F)(F)F)[C@@H]1COc2ccccc21 ZINC000185543155 822795001 /nfs/dbraw/zinc/79/50/01/822795001.db2.gz FRKCBFWMDPULTF-YPMHNXCESA-N 1 0 398.812 4.452 20 0 GIADRO CCOc1cccc2[nH]cc(CC(=O)Nc3ccc4c(c3)CC[C@@H]4[NH+](C)C)c21 ZINC000456292910 822795102 /nfs/dbraw/zinc/79/51/02/822795102.db2.gz BSJPXHLEUFURLE-FQEVSTJZSA-N 1 0 377.488 4.297 20 0 GIADRO Cc1ccc([C@H](CNC(=O)CCc2c[nH]c3ccc(C)cc23)[NH+]2CCCC2)o1 ZINC000174478478 822795158 /nfs/dbraw/zinc/79/51/58/822795158.db2.gz FOZGQXPYEXKDPK-NRFANRHFSA-N 1 0 379.504 4.264 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccs2)C1 ZINC000174496400 822796943 /nfs/dbraw/zinc/79/69/43/822796943.db2.gz RJGSXWPPZIWXEQ-QGZVFWFLSA-N 1 0 394.544 4.015 20 0 GIADRO CC1CC[NH+](C2CCC(NC(=O)NCc3ccc(C(F)F)cc3)CC2)CC1 ZINC000185565729 822797078 /nfs/dbraw/zinc/79/70/78/822797078.db2.gz KMPKNTWHXYWSHR-UHFFFAOYSA-N 1 0 379.495 4.467 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2ccccc2OC(F)F)C1 ZINC000174497621 822797070 /nfs/dbraw/zinc/79/70/70/822797070.db2.gz JAINMLZWTHDFHO-CVEARBPZSA-N 1 0 381.467 4.406 20 0 GIADRO C[C@@H](C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cn(C)c2ccccc12 ZINC000185569887 822797496 /nfs/dbraw/zinc/79/74/96/822797496.db2.gz GAZVYBDXDXVDLK-TZIWHRDSSA-N 1 0 389.543 4.262 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)o1 ZINC000052396775 822797935 /nfs/dbraw/zinc/79/79/35/822797935.db2.gz ROQOHLSQWNPZLP-UHFFFAOYSA-N 1 0 383.536 4.384 20 0 GIADRO C[C@H](CC(=O)Nc1ccccc1NC1CC[NH+](C)CC1)C(=O)c1cccc(F)c1 ZINC000174504146 822798012 /nfs/dbraw/zinc/79/80/12/822798012.db2.gz GKHHGHNGLVOTBW-MRXNPFEDSA-N 1 0 397.494 4.179 20 0 GIADRO Cc1nc(-c2ccc(Cl)s2)sc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000456321457 822798228 /nfs/dbraw/zinc/79/82/28/822798228.db2.gz PIISOKBTICWDRU-YOGCLGLASA-N 1 0 381.954 4.188 20 0 GIADRO Cc1nc2sc3c(c2c(NC2CC[NH+](Cc4ccccn4)CC2)n1)CCCC3 ZINC000052407552 822798379 /nfs/dbraw/zinc/79/83/79/822798379.db2.gz IZMLWQLJTVTZTL-UHFFFAOYSA-N 1 0 393.560 4.350 20 0 GIADRO NC(=O)c1cccc(C[NH2+]Cc2ccccc2COc2ccccc2Cl)c1 ZINC000174507254 822798413 /nfs/dbraw/zinc/79/84/13/822798413.db2.gz JTCYCWVFMUGUNL-UHFFFAOYSA-N 1 0 380.875 4.308 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1cccc(Oc2ccccn2)c1)c1cccs1 ZINC000174509535 822798802 /nfs/dbraw/zinc/79/88/02/822798802.db2.gz KPNGRGBHJKTJRF-QGZVFWFLSA-N 1 0 382.489 4.360 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)Nc1cccc(Oc2ccccn2)c1 ZINC000174509766 822798808 /nfs/dbraw/zinc/79/88/08/822798808.db2.gz LDRWIAZHYVLXNG-IBGZPJMESA-N 1 0 392.459 4.426 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)NC[C@@H](O)c2ccc(-c3ccccc3)cc2)c1 ZINC000185581481 822798838 /nfs/dbraw/zinc/79/88/38/822798838.db2.gz PXCJOITWIKKRBA-HSZRJFAPSA-N 1 0 389.499 4.270 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)Nc2cccc(NC(=O)N(C)C)c2)cc1)C(C)C ZINC000456330403 822799084 /nfs/dbraw/zinc/79/90/84/822799084.db2.gz GJBFPIFSEZAQKW-UHFFFAOYSA-N 1 0 382.508 4.263 20 0 GIADRO CC[C@@H](NC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1)c1ccncc1 ZINC000174512006 822799327 /nfs/dbraw/zinc/79/93/27/822799327.db2.gz PHFYKCVPCXSNMM-MOPGFXCFSA-N 1 0 386.565 4.367 20 0 GIADRO C[N@@H+](Cc1ccccc1N1CCCC1)C[C@H](O)c1ccccc1C(F)(F)F ZINC000052439807 822799739 /nfs/dbraw/zinc/79/97/39/822799739.db2.gz AUPQANHEMOQZQF-FQEVSTJZSA-N 1 0 378.438 4.471 20 0 GIADRO Cc1nc(C(F)(F)F)sc1C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000456349526 822801084 /nfs/dbraw/zinc/80/10/84/822801084.db2.gz VVRPFQIKQHVIFV-CYBMUJFWSA-N 1 0 397.466 4.064 20 0 GIADRO Cc1oc(-c2ccccc2)nc1C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000456353117 822801485 /nfs/dbraw/zinc/80/14/85/822801485.db2.gz ZCYXNTWNUXFRDV-SFHVURJKSA-N 1 0 389.499 4.244 20 0 GIADRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)Nc1nnc(-c2ccsc2)s1 ZINC000052496323 822801676 /nfs/dbraw/zinc/80/16/76/822801676.db2.gz UODTWLDVKLKLTB-INIZCTEOSA-N 1 0 399.545 4.225 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2sc3nc(C(F)(F)F)ccc3c2C)C1 ZINC000174529478 822801668 /nfs/dbraw/zinc/80/16/68/822801668.db2.gz XFCDGFYDXZYQIA-GFCCVEGCSA-N 1 0 385.455 4.037 20 0 GIADRO CC(C)[NH+]1CCC(C(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000174537257 822802585 /nfs/dbraw/zinc/80/25/85/822802585.db2.gz AKWAHGDYVHVUOE-GOSISDBHSA-N 1 0 385.335 4.014 20 0 GIADRO C[C@@H](CNC(=O)N(CCc1ccccc1)Cc1cccnc1)[N@@H+]1CCCC[C@H]1C ZINC000052524676 822802643 /nfs/dbraw/zinc/80/26/43/822802643.db2.gz KYKDTHWYXFYLNE-RTWAWAEBSA-N 1 0 394.563 4.099 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cnn(-c3cccc(Cl)c3)c2C(C)C)C1 ZINC000174539604 822802749 /nfs/dbraw/zinc/80/27/49/822802749.db2.gz LWBRIFKQWIFXBR-MRXNPFEDSA-N 1 0 388.943 4.063 20 0 GIADRO O=C(Nc1cccc(-c2ccc(F)c(F)c2)c1)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000456385479 822803569 /nfs/dbraw/zinc/80/35/69/822803569.db2.gz CAOJMUJKWQLWDM-NRFANRHFSA-N 1 0 386.442 4.214 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)c2ccc(-c3cncnc3)cc2F)c1 ZINC000185627129 822804000 /nfs/dbraw/zinc/80/40/00/822804000.db2.gz MSYGYJMNLBEEAH-UHFFFAOYSA-N 1 0 378.451 4.377 20 0 GIADRO CC[NH+](CC)[C@H](C(=O)N[C@H]1C[C@@H](C)n2ccnc21)c1cccc(C(F)(F)F)c1 ZINC000456398691 822804430 /nfs/dbraw/zinc/80/44/30/822804430.db2.gz UJGSNXDNHXIKIX-COXVUDFISA-N 1 0 394.441 4.107 20 0 GIADRO COc1cc(C[NH2+][C@@H](C)CC(C)(C)OC)cc(Br)c1OC(F)F ZINC000174555680 822804530 /nfs/dbraw/zinc/80/45/30/822804530.db2.gz YSDTXZBAXFPAHN-JTQLQIEISA-N 1 0 396.272 4.352 20 0 GIADRO CCCOc1ccc(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc1OCCC ZINC000174557445 822804644 /nfs/dbraw/zinc/80/46/44/822804644.db2.gz QWJVMTJFCHUDKV-LJQANCHMSA-N 1 0 388.552 4.212 20 0 GIADRO O=C(CCCCc1nc2ccccc2s1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000174564660 822805585 /nfs/dbraw/zinc/80/55/85/822805585.db2.gz MXRRAFNLHDDNLI-SFHVURJKSA-N 1 0 385.577 4.344 20 0 GIADRO Cc1cc(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c(C)n1Cc1ccccc1 ZINC000174566584 822805872 /nfs/dbraw/zinc/80/58/72/822805872.db2.gz COIPXMLJGNZJDD-JOCHJYFZSA-N 1 0 379.548 4.101 20 0 GIADRO COC(=O)COc1ccc([C@H](C)[NH2+]Cc2cc3ccccc3nc2Cl)cc1 ZINC000185647804 822806527 /nfs/dbraw/zinc/80/65/27/822806527.db2.gz YBMFXUJPKHKYTK-AWEZNQCLSA-N 1 0 384.863 4.291 20 0 GIADRO Cc1nc(CCC(=O)N2CC[N@@H+](C)CC23CCCCC3)oc1-c1ccccc1 ZINC000174571843 822806572 /nfs/dbraw/zinc/80/65/72/822806572.db2.gz UGLJCMKQZRWNIF-UHFFFAOYSA-N 1 0 381.520 4.060 20 0 GIADRO COc1ccc([C@H](CNC(=O)N(C)Cc2sccc2C)[NH+]2CCCC2)cc1 ZINC000052661794 822806791 /nfs/dbraw/zinc/80/67/91/822806791.db2.gz BEWQTCLBYBFKEC-IBGZPJMESA-N 1 0 387.549 4.044 20 0 GIADRO COC(=O)COc1ccc([C@H](C)[NH2+]Cc2cccc(Br)c2C)cc1 ZINC000185653014 822807024 /nfs/dbraw/zinc/80/70/24/822807024.db2.gz XYANJODOMBVYSZ-AWEZNQCLSA-N 1 0 392.293 4.160 20 0 GIADRO COc1cc(C[NH2+]C[C@@H](C)Oc2cccc(F)c2)ccc1OCc1ccncc1 ZINC000174580925 822807880 /nfs/dbraw/zinc/80/78/80/822807880.db2.gz RLYJRHBGJKFIGN-QGZVFWFLSA-N 1 0 396.462 4.365 20 0 GIADRO CCOc1cccc2cc([C@H](C)[NH2+][C@H](C)C(=O)Nc3ccc4c(c3)OCO4)oc21 ZINC000052712343 822808272 /nfs/dbraw/zinc/80/82/72/822808272.db2.gz BEPBUOJYQBKIPW-UONOGXRCSA-N 1 0 396.443 4.238 20 0 GIADRO O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CCOC[C@H]1c1ccc(F)cc1 ZINC000456456079 822808367 /nfs/dbraw/zinc/80/83/67/822808367.db2.gz LQHIMZUEZMGUNA-QFIPXVFZSA-N 1 0 382.479 4.025 20 0 GIADRO COC(=O)COc1ccc([C@@H](C)[NH2+]Cc2cc(-c3ccc(C)cc3)no2)cc1 ZINC000185677673 822809231 /nfs/dbraw/zinc/80/92/31/822809231.db2.gz BTFDCBULVXYQQY-MRXNPFEDSA-N 1 0 380.444 4.053 20 0 GIADRO CC[C@@H](Cc1ccccc1)N(C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000174598700 822810357 /nfs/dbraw/zinc/81/03/57/822810357.db2.gz ZUOUXFTUFPNELG-NRFANRHFSA-N 1 0 394.563 4.232 20 0 GIADRO O=C(N[C@H]1CCO[C@@H](c2cccs2)C1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000456497785 822810524 /nfs/dbraw/zinc/81/05/24/822810524.db2.gz FHQGJEBQVASIDB-VQTJNVASSA-N 1 0 384.545 4.384 20 0 GIADRO Cc1nc(-c2ccccc2)oc1C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000174600948 822810634 /nfs/dbraw/zinc/81/06/34/822810634.db2.gz KYPYEFALENQTSK-IBGZPJMESA-N 1 0 381.520 4.378 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCc2ccc(C(F)F)cc2)C1 ZINC000185698532 822811147 /nfs/dbraw/zinc/81/11/47/822811147.db2.gz SGUBBKPFHXTRAY-AEFFLSMTSA-N 1 0 379.495 4.420 20 0 GIADRO C[C@@H](NCC(=O)Nc1ccc(Cl)c(Cl)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185697296 822811205 /nfs/dbraw/zinc/81/12/05/822811205.db2.gz ILCKMSXDXOZIEL-KGLIPLIRSA-N 1 0 384.351 4.175 20 0 GIADRO CCSCC[C@H](C)N(C)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000174607266 822811848 /nfs/dbraw/zinc/81/18/48/822811848.db2.gz YNIFMTMIPGNYOH-SFHVURJKSA-N 1 0 392.613 4.132 20 0 GIADRO OC1(c2cccnc2)CCC([NH2+]Cc2c(Cl)cccc2N2CCCC2)CC1 ZINC000185702349 822811879 /nfs/dbraw/zinc/81/18/79/822811879.db2.gz BZNFKKOLMXSDAX-UHFFFAOYSA-N 1 0 385.939 4.255 20 0 GIADRO CCc1cccc(CC)c1NC(=O)[C@H](C)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185706832 822812418 /nfs/dbraw/zinc/81/24/18/822812418.db2.gz JFOQZDDXJYQDNT-BBTUJRGHSA-N 1 0 385.596 4.381 20 0 GIADRO COC(=O)COc1ccc([C@@H](C)[NH2+]Cc2ccc(Br)cc2C)cc1 ZINC000185708802 822812642 /nfs/dbraw/zinc/81/26/42/822812642.db2.gz JPLKIXPDHPGPKI-CQSZACIVSA-N 1 0 392.293 4.160 20 0 GIADRO CCC[C@@H](NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000174617621 822813145 /nfs/dbraw/zinc/81/31/45/822813145.db2.gz NMWGTDYTNJUVOB-ZWKOTPCHSA-N 1 0 381.442 4.202 20 0 GIADRO Cc1ccccc1NCCC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000052853281 822813192 /nfs/dbraw/zinc/81/31/92/822813192.db2.gz NHZKTEGAEHLARW-UHFFFAOYSA-N 1 0 385.939 4.231 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)N3CC[C@@H](C)C[C@@H]3c3ccco3)c2)CC1 ZINC000185714444 822813437 /nfs/dbraw/zinc/81/34/37/822813437.db2.gz XLOPVXZMBXYVEN-WIYYLYMNSA-N 1 0 396.535 4.427 20 0 GIADRO COc1ccccc1[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccccc1)OC(C)C ZINC000185718379 822813994 /nfs/dbraw/zinc/81/39/94/822813994.db2.gz CKJXXWBZRITFNF-JOCHJYFZSA-N 1 0 379.504 4.352 20 0 GIADRO CCN(CC)C(=O)c1ccc(NC(=O)c2cccc(C[NH+](C)C)c2)cc1Cl ZINC000174634594 822815369 /nfs/dbraw/zinc/81/53/69/822815369.db2.gz QNCFVDYSSUDHIJ-UHFFFAOYSA-N 1 0 387.911 4.136 20 0 GIADRO COc1cc(C[NH2+]C[C@H](O)c2ccccc2)cc(OC)c1OCc1ccccc1 ZINC000052916047 822815729 /nfs/dbraw/zinc/81/57/29/822815729.db2.gz YZKOMGNLYUUKMC-NRFANRHFSA-N 1 0 393.483 4.106 20 0 GIADRO CC[C@@H](C)[NH+]1CCN(C(=O)c2ccccc2SCc2csc(C)n2)CC1 ZINC000456561742 822816172 /nfs/dbraw/zinc/81/61/72/822816172.db2.gz UXEDEOIMPQHRIL-OAHLLOKOSA-N 1 0 389.590 4.300 20 0 GIADRO COCc1c(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)sc2cccc(F)c21 ZINC000052954867 822816657 /nfs/dbraw/zinc/81/66/57/822816657.db2.gz GSJMMDOHLJRWCH-AWEZNQCLSA-N 1 0 378.513 4.181 20 0 GIADRO C[C@H](NCc1coc(-c2ccc(F)c(F)c2)n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185750240 822817641 /nfs/dbraw/zinc/81/76/41/822817641.db2.gz PPMYLQFPSJIPRQ-HOCLYGCPSA-N 1 0 375.463 4.362 20 0 GIADRO COc1ccc(/C=C(\C)C(=O)Nc2ccccc2NC2CC[NH+](C)CC2)cc1F ZINC000185757217 822818137 /nfs/dbraw/zinc/81/81/37/822818137.db2.gz HOFKKVIEJXWGMX-JQIJEIRASA-N 1 0 397.494 4.382 20 0 GIADRO COc1ccc(OC)c(NC(=O)[C@@H](C)[N@H+](C)Cc2cccc3ccccc32)c1 ZINC000053017078 822818655 /nfs/dbraw/zinc/81/86/55/822818655.db2.gz PSLOPTAYSAOEBI-MRXNPFEDSA-N 1 0 378.472 4.316 20 0 GIADRO O=C(NCC1(CCOCc2ccccc2)CC1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000185762080 822818785 /nfs/dbraw/zinc/81/87/85/822818785.db2.gz IIDSDZDROYKPSO-JOCHJYFZSA-N 1 0 399.579 4.033 20 0 GIADRO Cc1cc2c(cc1C)[C@@H](C(=O)NC1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)CO2 ZINC000185763040 822818815 /nfs/dbraw/zinc/81/88/15/822818815.db2.gz ZIAXNUJLRSRHRY-VYTWWXLVSA-N 1 0 390.527 4.091 20 0 GIADRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(CCc2ccccn2)CC1 ZINC000174656202 822818987 /nfs/dbraw/zinc/81/89/87/822818987.db2.gz OVKDSISIXZFCFN-UHFFFAOYSA-N 1 0 377.454 4.239 20 0 GIADRO C[C@@H](NCC(=O)Nc1ccc(Cl)cc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185765267 822819085 /nfs/dbraw/zinc/81/90/85/822819085.db2.gz UGPCVDNQWLNSNO-KGLIPLIRSA-N 1 0 384.351 4.175 20 0 GIADRO Cc1sc2nc([C@H](C)N[C@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)nc(N)c2c1C ZINC000185768919 822819608 /nfs/dbraw/zinc/81/96/08/822819608.db2.gz ZSMHWRVMNRPNAV-IJEWVQPXSA-N 1 0 387.597 4.194 20 0 GIADRO CC(=O)Nc1ccc2c(C[N@@H+]3CCC[C@@H]3Cc3cccc(F)c3)cc(=O)oc2c1 ZINC000053076281 822820594 /nfs/dbraw/zinc/82/05/94/822820594.db2.gz WYTYIQBTHAWDAK-HXUWFJFHSA-N 1 0 394.446 4.098 20 0 GIADRO O=C(CCSc1ccc(Br)cc1)N1CCC([NH+]2CCCC2)CC1 ZINC000053080647 822820675 /nfs/dbraw/zinc/82/06/75/822820675.db2.gz PCPGODMEGXIOAB-UHFFFAOYSA-N 1 0 397.382 4.018 20 0 GIADRO CC[N@H+](Cc1cc(=O)oc2cc(NC(C)=O)ccc12)[C@H](C)c1ccc(F)cc1 ZINC000053088033 822821143 /nfs/dbraw/zinc/82/11/43/822821143.db2.gz XCSLQSPODCGCFV-CQSZACIVSA-N 1 0 382.435 4.474 20 0 GIADRO CC(C)C[C@@H](CO)N(C)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000185802186 822822386 /nfs/dbraw/zinc/82/23/86/822822386.db2.gz NUYMNJWRODGETB-FQEVSTJZSA-N 1 0 375.557 4.322 20 0 GIADRO C[N@H+](Cc1nnc(-c2cccc(Cl)c2)o1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000174680263 822822504 /nfs/dbraw/zinc/82/25/04/822822504.db2.gz WEEJBLZPCDVYAB-LJQANCHMSA-N 1 0 382.895 4.491 20 0 GIADRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC000174684076 822822923 /nfs/dbraw/zinc/82/29/23/822822923.db2.gz KTGPHUSJKJENHA-GFCCVEGCSA-N 1 0 377.941 4.291 20 0 GIADRO CCCOc1c(Cl)cc(C(=O)NC2CC[NH+](C3CCC3)CC2)cc1OCC ZINC000456695099 822823621 /nfs/dbraw/zinc/82/36/21/822823621.db2.gz JDYWJCRLGDFNOP-UHFFFAOYSA-N 1 0 394.943 4.274 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1cc(Cl)ccc1Cl ZINC000185819690 822824132 /nfs/dbraw/zinc/82/41/32/822824132.db2.gz VMJFGSGTRPJQCI-ZDUSSCGKSA-N 1 0 399.343 4.384 20 0 GIADRO CCCCOc1c(Cl)cc(C(=O)NC2CC[NH+](C3CCC3)CC2)cc1OC ZINC000456707209 822825268 /nfs/dbraw/zinc/82/52/68/822825268.db2.gz WHBVGYBIIGUMHA-UHFFFAOYSA-N 1 0 394.943 4.274 20 0 GIADRO O=C(CC1([NH+]2CCOCC2)CCCC1)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000174706095 822826185 /nfs/dbraw/zinc/82/61/85/822826185.db2.gz LVLTVFUGOIKBPI-JOCHJYFZSA-N 1 0 395.547 4.257 20 0 GIADRO O=C(COc1c(Cl)cc(Cl)cc1Cl)NC1CC[NH+](C2CCC2)CC1 ZINC000456723593 822827089 /nfs/dbraw/zinc/82/70/89/822827089.db2.gz HZZCDCWNWRWEJP-UHFFFAOYSA-N 1 0 391.726 4.159 20 0 GIADRO CCCOc1ccc(C(=O)CCC(=O)N(CC(C)C)C2CC[NH+](C)CC2)cc1 ZINC000053231838 822827177 /nfs/dbraw/zinc/82/71/77/822827177.db2.gz QBHVANQLOFKVTQ-UHFFFAOYSA-N 1 0 388.552 4.017 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)c1cccc2cccc(Br)c21 ZINC000456725423 822827277 /nfs/dbraw/zinc/82/72/77/822827277.db2.gz JLEVJLSXTBBBHZ-UHFFFAOYSA-N 1 0 387.321 4.349 20 0 GIADRO COc1ccc([C@@H](CNC(=O)N(C)[C@H](C)c2cccs2)[NH+]2CCCC2)cc1 ZINC000053235572 822827384 /nfs/dbraw/zinc/82/73/84/822827384.db2.gz IIRIDZMRGAKLSH-VQIMIIECSA-N 1 0 387.549 4.296 20 0 GIADRO C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)Nc1cccc(C3SCCS3)c1)C2 ZINC000174720471 822828274 /nfs/dbraw/zinc/82/82/74/822828274.db2.gz UVQQVLFWIULWCP-ALOPSCKCSA-N 1 0 377.579 4.302 20 0 GIADRO Cc1ccc(NC(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)c(C[NH+](C)C)c1 ZINC000174721462 822828420 /nfs/dbraw/zinc/82/84/20/822828420.db2.gz CQIYXZIPJXIITF-UHFFFAOYSA-N 1 0 398.894 4.331 20 0 GIADRO CC[NH+](CC)[C@H](C(=O)NCCC[C@H]1CCOC1)c1cccc(C(F)(F)F)c1 ZINC000456742750 822828709 /nfs/dbraw/zinc/82/87/09/822828709.db2.gz KXNZSHHRSXJPKK-YJBOKZPZSA-N 1 0 386.458 4.021 20 0 GIADRO Cc1ccccc1[C@@H]1CCC[N@@H+]1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000053279220 822828798 /nfs/dbraw/zinc/82/87/98/822828798.db2.gz WVLGWLWJOKZPHH-SFHVURJKSA-N 1 0 398.304 4.103 20 0 GIADRO COc1ccc([C@@H](C[NH2+][C@@H](C)c2cc(Cl)ccc2O)N(C)C)cc1OC ZINC000185874015 822828992 /nfs/dbraw/zinc/82/89/92/822828992.db2.gz FJQUFUVHDYNPCZ-SUMWQHHRSA-N 1 0 378.900 4.016 20 0 GIADRO CC[NH+](CC)[C@@H](C(=O)NCc1cnc(C2CC2)o1)c1cccc(C(F)(F)F)c1 ZINC000456755112 822829330 /nfs/dbraw/zinc/82/93/30/822829330.db2.gz AXTARYDRHRCPPH-QGZVFWFLSA-N 1 0 395.425 4.270 20 0 GIADRO CN(C)c1cccc(C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)c1 ZINC000456777110 822830292 /nfs/dbraw/zinc/83/02/92/822830292.db2.gz FRNCMMYCNVWGTP-UHFFFAOYSA-N 1 0 387.911 4.131 20 0 GIADRO Cn1cc(Cl)cc1C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000456783107 822830482 /nfs/dbraw/zinc/83/04/82/822830482.db2.gz AVKTWXIVBWHZHG-UHFFFAOYSA-N 1 0 382.291 4.057 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)N2CCC(O)(c3ccccc3)CC2)cc1)C(C)C ZINC000185892642 822830595 /nfs/dbraw/zinc/83/05/95/822830595.db2.gz QLDHCBJOQXUEDO-UHFFFAOYSA-N 1 0 380.532 4.041 20 0 GIADRO Cc1cc2c(cc1C)[C@H](C(=O)NC1CC[NH+]([C@@H](C)c3ccccc3)CC1)CO2 ZINC000185905530 822832085 /nfs/dbraw/zinc/83/20/85/822832085.db2.gz WSHWPLOMWURLKT-PGRDOPGGSA-N 1 0 378.516 4.121 20 0 GIADRO Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000053403950 822833328 /nfs/dbraw/zinc/83/33/28/822833328.db2.gz JSQLCWRXWGAOPF-AWEZNQCLSA-N 1 0 393.597 4.281 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(-c2cc[nH]n2)c1 ZINC000185918659 822833408 /nfs/dbraw/zinc/83/34/08/822833408.db2.gz CEOHCVSWDXLRPJ-IBGZPJMESA-N 1 0 389.503 4.063 20 0 GIADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2c[nH]c(=S)n2-c2ccccc2)C1 ZINC000053417451 822833978 /nfs/dbraw/zinc/83/39/78/822833978.db2.gz BDLPSCKPBBLYKA-IAGOWNOFSA-N 1 0 386.565 4.023 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)CC[N@@H+]1C ZINC000174768671 822834646 /nfs/dbraw/zinc/83/46/46/822834646.db2.gz QETTVLHSHIYMPS-YJBOKZPZSA-N 1 0 378.476 4.441 20 0 GIADRO Cc1cccc2c(NCc3ccc(N4CCCS4(=O)=O)c(F)c3)c(C)c[nH+]c12 ZINC000185953927 822836842 /nfs/dbraw/zinc/83/68/42/822836842.db2.gz RYMUCZODPPZZAE-UHFFFAOYSA-N 1 0 399.491 4.143 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc(-n3cccn3)cc2)[C@@H]1c1cccs1 ZINC000174790356 822837247 /nfs/dbraw/zinc/83/72/47/822837247.db2.gz LGEJNIDKFATDHQ-OXQOHEQNSA-N 1 0 395.532 4.138 20 0 GIADRO Cc1nc(-c2ccccc2)oc1C(=O)Nc1cccc(OCCC[NH+](C)C)c1 ZINC000174795323 822837894 /nfs/dbraw/zinc/83/78/94/822837894.db2.gz PYUHKNHABCMKRS-UHFFFAOYSA-N 1 0 379.460 4.233 20 0 GIADRO Cc1cnc([C@H](NC(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)C2CC2)s1 ZINC000174798302 822838464 /nfs/dbraw/zinc/83/84/64/822838464.db2.gz IOLXSVFOXMGIHD-LJQANCHMSA-N 1 0 398.576 4.039 20 0 GIADRO C[N@@H+]1CCCN(c2ccc(NC(=S)Nc3ccc4c(c3)CCC4)cc2)CC1 ZINC000053519811 822838586 /nfs/dbraw/zinc/83/85/86/822838586.db2.gz BCAAHLSMGAQDOB-UHFFFAOYSA-N 1 0 380.561 4.126 20 0 GIADRO O=C(N[C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000456871630 822839342 /nfs/dbraw/zinc/83/93/42/822839342.db2.gz OESDTVAZWCGFRW-QFUCXCTJSA-N 1 0 390.955 4.126 20 0 GIADRO O=C(c1cccc(C[NH+]2CCCC2)c1)N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000185969953 822839412 /nfs/dbraw/zinc/83/94/12/822839412.db2.gz QGJGJMXWTSJNPW-NRFANRHFSA-N 1 0 384.907 4.150 20 0 GIADRO CCN(Cc1ccc(Cl)s1)C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC000053539907 822839747 /nfs/dbraw/zinc/83/97/47/822839747.db2.gz WLJJJBZRBBUTTH-KRWDZBQOSA-N 1 0 395.956 4.245 20 0 GIADRO CN(Cc1ccccc1Cl)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000053547997 822840431 /nfs/dbraw/zinc/84/04/31/822840431.db2.gz YDPYULFMVRKOAD-QGZVFWFLSA-N 1 0 377.941 4.380 20 0 GIADRO CN(Cc1cccc(Cl)c1)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000053548244 822840463 /nfs/dbraw/zinc/84/04/63/822840463.db2.gz JWQXUPSQPJEOGK-QGZVFWFLSA-N 1 0 377.941 4.380 20 0 GIADRO Cc1ccc(C(=O)CCCC(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000185980743 822840595 /nfs/dbraw/zinc/84/05/95/822840595.db2.gz SKXQJMZIUHCZBG-UHFFFAOYSA-N 1 0 398.572 4.438 20 0 GIADRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2oc3c(ccc4ccccc34)c2C)CC1 ZINC000456907615 822841138 /nfs/dbraw/zinc/84/11/38/822841138.db2.gz WBQJELDDQZBQTF-UHFFFAOYSA-N 1 0 393.531 4.040 20 0 GIADRO CC(C)[C@]1(C)C[C@@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C(F)(F)F ZINC000185992258 822841795 /nfs/dbraw/zinc/84/17/95/822841795.db2.gz QLQHZSHKLAQAJI-APWZRJJASA-N 1 0 383.458 4.078 20 0 GIADRO CC(C)[C@]1(C)C[C@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C(F)(F)F ZINC000185992303 822841860 /nfs/dbraw/zinc/84/18/60/822841860.db2.gz QLQHZSHKLAQAJI-LPHOPBHVSA-N 1 0 383.458 4.078 20 0 GIADRO COc1cccc([C@H]2C[C@H](N(C)C(=O)c3cccc(C[NH+]4CCCC4)c3)C2)c1 ZINC000456924897 822842026 /nfs/dbraw/zinc/84/20/26/822842026.db2.gz QCLFOSMNPRALFC-HZCBDIJESA-N 1 0 378.516 4.309 20 0 GIADRO CCOc1ccc(C(C)=O)cc1C[N@H+](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000174826370 822842557 /nfs/dbraw/zinc/84/25/57/822842557.db2.gz METGBVSUTCTVIE-UHFFFAOYSA-N 1 0 390.524 4.119 20 0 GIADRO CCC[N@H+](CC)Cc1ccc(C(=O)N(C)C2CCN(CC(F)(F)F)CC2)cc1 ZINC000456936430 822842976 /nfs/dbraw/zinc/84/29/76/822842976.db2.gz NIYYSISVMILZCG-UHFFFAOYSA-N 1 0 399.501 4.017 20 0 GIADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2cnn(Cc3ccccc3)c2)C1 ZINC000174830093 822843201 /nfs/dbraw/zinc/84/32/01/822843201.db2.gz LWFYSVQGTPSRTB-FPOVZHCZSA-N 1 0 395.551 4.050 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CCc3ccccc32)[C@@H]1c1cccs1 ZINC000174836504 822844114 /nfs/dbraw/zinc/84/41/14/822844114.db2.gz SGMXUPQETSJZGV-WAOWUJCRSA-N 1 0 383.561 4.160 20 0 GIADRO CCSCC[C@@H](C)N(C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000174839368 822844665 /nfs/dbraw/zinc/84/46/65/822844665.db2.gz ZMQULAXXPIVJTJ-LBFURVHYSA-N 1 0 389.609 4.355 20 0 GIADRO COc1ccc([C@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)c2ccco2)cc1 ZINC000456987057 822844855 /nfs/dbraw/zinc/84/48/55/822844855.db2.gz DBEKNGSCDKWFCB-QHCPKHFHSA-N 1 0 390.483 4.403 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)Nc2cccc(OCc3ccc(F)cc3)c2)CC[N@@H+]1C ZINC000174841633 822845062 /nfs/dbraw/zinc/84/50/62/822845062.db2.gz DDOKTTJWHHKJMK-JXFKEZNVSA-N 1 0 385.483 4.351 20 0 GIADRO CC(C)C[C@@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1cccs1 ZINC000186036391 822846007 /nfs/dbraw/zinc/84/60/07/822846007.db2.gz CKVLONYJXPGNKM-GOSISDBHSA-N 1 0 378.563 4.165 20 0 GIADRO O=C(CC[NH+]1CCC(C(=O)C(F)(F)F)CC1)Nc1cc(Cl)ccc1Cl ZINC000186039985 822846399 /nfs/dbraw/zinc/84/63/99/822846399.db2.gz WTPBKSPXQLIAQC-UHFFFAOYSA-N 1 0 397.224 4.165 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2ccc(-c3cncnc3)cc2F)C1 ZINC000186045783 822846889 /nfs/dbraw/zinc/84/68/89/822846889.db2.gz PCBWPMWPEFFZRS-MSOLQXFVSA-N 1 0 396.510 4.009 20 0 GIADRO CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)c1nc(C(F)(F)F)cs1 ZINC000174855886 822847014 /nfs/dbraw/zinc/84/70/14/822847014.db2.gz YAOVCMDYECXZTI-GXTWGEPZSA-N 1 0 377.476 4.240 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(F)cc1OC ZINC000174857923 822847374 /nfs/dbraw/zinc/84/73/74/822847374.db2.gz CNWAGTBXQOHOTH-GOSISDBHSA-N 1 0 385.483 4.210 20 0 GIADRO Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=O)N(C)CCC[NH+](C)C ZINC000186053738 822847499 /nfs/dbraw/zinc/84/74/99/822847499.db2.gz QSMZNBLCZGFHEE-UHFFFAOYSA-N 1 0 397.498 4.103 20 0 GIADRO CN(C(=O)c1ccc([C@@H]2CCCOC2)cc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457062482 822848943 /nfs/dbraw/zinc/84/89/43/822848943.db2.gz CXOBTMAZYAXNAR-GOSISDBHSA-N 1 0 398.469 4.069 20 0 GIADRO C[C@H](O)CC(C)(C)CNC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000174871245 822849099 /nfs/dbraw/zinc/84/90/99/822849099.db2.gz CIGZDAQPBBEVHM-SFHVURJKSA-N 1 0 397.563 4.012 20 0 GIADRO COc1ccccc1[C@H](C)CC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457064099 822849382 /nfs/dbraw/zinc/84/93/82/822849382.db2.gz CALDYPPWZUVQMN-OAHLLOKOSA-N 1 0 386.458 4.064 20 0 GIADRO COc1ccccc1[C@@H](C)CC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457064097 822849387 /nfs/dbraw/zinc/84/93/87/822849387.db2.gz CALDYPPWZUVQMN-HNNXBMFYSA-N 1 0 386.458 4.064 20 0 GIADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)c2sccc2OC)cc1 ZINC000186085128 822850290 /nfs/dbraw/zinc/85/02/90/822850290.db2.gz LUSJLFYVANLGKF-GJZGRUSLSA-N 1 0 396.578 4.199 20 0 GIADRO CN(C(=O)c1cccc([C@@H]2CCCOC2)c1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457078729 822850502 /nfs/dbraw/zinc/85/05/02/822850502.db2.gz DRPYAZWJSIJKFZ-GOSISDBHSA-N 1 0 398.469 4.069 20 0 GIADRO CN(C(=O)Cc1ccc(Cl)c(Cl)c1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457080672 822850889 /nfs/dbraw/zinc/85/08/89/822850889.db2.gz GNXGGVVXFQWIHV-UHFFFAOYSA-N 1 0 397.268 4.411 20 0 GIADRO CC[C@@H](Oc1cccc(C)c1)C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457082657 822851133 /nfs/dbraw/zinc/85/11/33/822851133.db2.gz IPKOGYGXZHLOAN-GOSISDBHSA-N 1 0 386.458 4.028 20 0 GIADRO CN(C(=O)C[C@@H]1CCCc2ccccc21)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457083761 822851299 /nfs/dbraw/zinc/85/12/99/822851299.db2.gz KTWIVQOIRPWURO-KRWDZBQOSA-N 1 0 382.470 4.372 20 0 GIADRO CCOc1ccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c2ncccc12 ZINC000186096147 822851304 /nfs/dbraw/zinc/85/13/04/822851304.db2.gz XZOFZSKFOREJGN-OXJNMPFZSA-N 1 0 394.519 4.114 20 0 GIADRO CN(C(=O)Cc1cc(Cl)ccc1Cl)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457083699 822851333 /nfs/dbraw/zinc/85/13/33/822851333.db2.gz KFVMXURWTFKRSJ-UHFFFAOYSA-N 1 0 397.268 4.411 20 0 GIADRO Cc1cc2[nH]c(C(=O)N(C)C3CC[NH+](CCC(F)(F)F)CC3)cc2c(C)c1 ZINC000457084535 822851414 /nfs/dbraw/zinc/85/14/14/822851414.db2.gz LPNKPJUKAUHLPG-UHFFFAOYSA-N 1 0 381.442 4.274 20 0 GIADRO CN(C(=O)c1csc(-c2ccccc2)n1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457085151 822851468 /nfs/dbraw/zinc/85/14/68/822851468.db2.gz MFLCGMKMJBDGQX-UHFFFAOYSA-N 1 0 397.466 4.299 20 0 GIADRO COc1ccccc1N1CC[C@H]([NH2+][C@H](C)c2ccc3ccccc3c2O)C1=O ZINC000186102188 822851867 /nfs/dbraw/zinc/85/18/67/822851867.db2.gz WBFRETGKFYHFED-BEFAXECRSA-N 1 0 376.456 4.010 20 0 GIADRO COc1ccccc1N1CC[C@@H]([NH2+][C@H](C)c2ccc3ccccc3c2O)C1=O ZINC000186102154 822851929 /nfs/dbraw/zinc/85/19/29/822851929.db2.gz WBFRETGKFYHFED-DNVCBOLYSA-N 1 0 376.456 4.010 20 0 GIADRO COC[C@@H]1CCCN(C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)CC1 ZINC000457088066 822851956 /nfs/dbraw/zinc/85/19/56/822851956.db2.gz PRIYMWKOXXPAHD-OAQYLSRUSA-N 1 0 380.532 4.207 20 0 GIADRO CCn1c(C(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)cc2ccccc21 ZINC000457089998 822852302 /nfs/dbraw/zinc/85/23/02/822852302.db2.gz UPXYSZOKIKQORC-UHFFFAOYSA-N 1 0 381.442 4.150 20 0 GIADRO CSCc1cc(C(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)ccc1F ZINC000457090811 822852473 /nfs/dbraw/zinc/85/24/73/822852473.db2.gz VLOVCZDTCJJCLM-UHFFFAOYSA-N 1 0 392.462 4.178 20 0 GIADRO CCC[C@@H](CNC(=O)C[NH+]1CCC(OC)CC1)c1ccc(Cl)cc1Cl ZINC000053907298 822852616 /nfs/dbraw/zinc/85/26/16/822852616.db2.gz OHVXHWVADXKBMI-AWEZNQCLSA-N 1 0 387.351 4.104 20 0 GIADRO CN(C(=O)c1ccc2ccccc2c1O)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457093649 822852832 /nfs/dbraw/zinc/85/28/32/822852832.db2.gz YLMNEOZRSMLTRG-UHFFFAOYSA-N 1 0 380.410 4.034 20 0 GIADRO Cc1cccc(OCC[NH2+][C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)c1 ZINC000174901109 822852872 /nfs/dbraw/zinc/85/28/72/822852872.db2.gz PAHWPQDOENJAAM-HSZRJFAPSA-N 1 0 395.524 4.157 20 0 GIADRO Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]Cc1cccc(C(=O)NC[C@H]2CCCO2)c1 ZINC000186126001 822853915 /nfs/dbraw/zinc/85/39/15/822853915.db2.gz OLNVLQHEBDEPQW-GGAORHGYSA-N 1 0 392.543 4.379 20 0 GIADRO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CCOC3(CCCC3)C2)cc1 ZINC000186128760 822853992 /nfs/dbraw/zinc/85/39/92/822853992.db2.gz XOGJFQXLCXBNRK-HLAWJBBLSA-N 1 0 391.577 4.161 20 0 GIADRO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCOC3(CCCC3)C2)cc1 ZINC000186128793 822854170 /nfs/dbraw/zinc/85/41/70/822854170.db2.gz XOGJFQXLCXBNRK-HMXCVIKNSA-N 1 0 391.577 4.161 20 0 GIADRO Cc1cnc([C@@H](NC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)C2CC2)s1 ZINC000174912929 822854718 /nfs/dbraw/zinc/85/47/18/822854718.db2.gz ATLXJMXNNUJEDE-OALUTQOASA-N 1 0 384.549 4.039 20 0 GIADRO CO[C@@H](C)c1nc(C)c(C(=O)N[C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)s1 ZINC000186138804 822854816 /nfs/dbraw/zinc/85/48/16/822854816.db2.gz AEORCOYRTJFIKF-WMZOPIPTSA-N 1 0 389.565 4.045 20 0 GIADRO CO[C@H](C)c1nc(C)c(C(=O)N[C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)s1 ZINC000186138784 822854932 /nfs/dbraw/zinc/85/49/32/822854932.db2.gz AEORCOYRTJFIKF-AEFFLSMTSA-N 1 0 389.565 4.045 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccccc2N2CCc3ccccc32)CC[N@@H+]1C ZINC000174914068 822855039 /nfs/dbraw/zinc/85/50/39/822855039.db2.gz MDPANQKIIXNUFP-IEBWSBKVSA-N 1 0 378.520 4.327 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)C2(c3cccc(Cl)c3)CC2)CC1 ZINC000053968292 822855068 /nfs/dbraw/zinc/85/50/68/822855068.db2.gz CIMZVIUUYDDACE-UHFFFAOYSA-N 1 0 382.935 4.461 20 0 GIADRO CSCc1ccccc1NC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000186140788 822855230 /nfs/dbraw/zinc/85/52/30/822855230.db2.gz FUBIHFZJEOOZCS-UHFFFAOYSA-N 1 0 383.561 4.332 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cccc(Br)c1 ZINC000174916075 822855646 /nfs/dbraw/zinc/85/56/46/822855646.db2.gz MXAPWGXVSFVEFF-KRWDZBQOSA-N 1 0 387.321 4.043 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1ccccc1Cc1ccccc1 ZINC000053990323 822855762 /nfs/dbraw/zinc/85/57/62/822855762.db2.gz QDSKSQVRKSYARV-UHFFFAOYSA-N 1 0 385.511 4.067 20 0 GIADRO COc1ccc(C[N@@H+]2CCCN(C(=O)Nc3cccc(C)c3Cl)CC2)cc1 ZINC000174925800 822856928 /nfs/dbraw/zinc/85/69/28/822856928.db2.gz MVNYTVVQKAAAQO-UHFFFAOYSA-N 1 0 387.911 4.397 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(N2CCCC2)c(F)c1 ZINC000174928618 822857358 /nfs/dbraw/zinc/85/73/58/822857358.db2.gz YNYDVMGFEZBYEH-FQEVSTJZSA-N 1 0 395.522 4.020 20 0 GIADRO Cc1oc2ccccc2c1CNC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186170829 822857771 /nfs/dbraw/zinc/85/77/71/822857771.db2.gz HZUWFDKZUKQXOC-HXUWFJFHSA-N 1 0 391.515 4.405 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)/C=C/c1cnc(C(C)(C)C)s1 ZINC000174936506 822858217 /nfs/dbraw/zinc/85/82/17/822858217.db2.gz WPBQGFSDWKLWFA-GNISGLHKSA-N 1 0 397.588 4.434 20 0 GIADRO C[N@H+](CCCCNC(=O)c1cn(-c2ccccc2)nc1-c1cccs1)C1CC1 ZINC000457169162 822858568 /nfs/dbraw/zinc/85/85/68/822858568.db2.gz FCYJNEQHCQGCTO-UHFFFAOYSA-N 1 0 394.544 4.205 20 0 GIADRO O=C(CC1CCOCC1)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457192635 822859682 /nfs/dbraw/zinc/85/96/82/822859682.db2.gz FFJQULWAUBDRNG-DEOSSOPVSA-N 1 0 398.591 4.487 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)CCc2ncc(-c3ccccc3)o2)c1 ZINC000054032478 822859715 /nfs/dbraw/zinc/85/97/15/822859715.db2.gz YOOFOVQEPVKMAZ-UHFFFAOYSA-N 1 0 391.515 4.432 20 0 GIADRO O=C(c1cc(F)c[nH]1)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457193356 822859821 /nfs/dbraw/zinc/85/98/21/822859821.db2.gz IDCOEXLULGMJIM-QFIPXVFZSA-N 1 0 383.511 4.451 20 0 GIADRO O=C(CC[C@@H]1CCOC1)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457193803 822859932 /nfs/dbraw/zinc/85/99/32/822859932.db2.gz JKOKYGIMYJBIML-ISKFKSNPSA-N 1 0 398.591 4.487 20 0 GIADRO C[C@H]([NH2+]Cc1cccnc1OCC(F)F)c1ccc(Br)cc1O ZINC000186199431 822860140 /nfs/dbraw/zinc/86/01/40/822860140.db2.gz ZZLSSHLFPKQTGE-JTQLQIEISA-N 1 0 387.224 4.044 20 0 GIADRO C[C@H]([NH2+]C(C)(C)CNC(=O)N1C[C@H](C)C[C@@H]1c1cccnc1)c1ccccc1 ZINC000186199633 822860160 /nfs/dbraw/zinc/86/01/60/822860160.db2.gz CJLYORXAMVZZEN-LVCYWYKZSA-N 1 0 380.536 4.304 20 0 GIADRO O=C(C1=CCOCC1)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457196245 822860198 /nfs/dbraw/zinc/86/01/98/822860198.db2.gz QXOGVJSBZYSBPJ-QHCPKHFHSA-N 1 0 382.548 4.017 20 0 GIADRO Cc1ncncc1C(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457197163 822860209 /nfs/dbraw/zinc/86/02/09/822860209.db2.gz SRRDGZZCRRBFJW-HSZRJFAPSA-N 1 0 392.547 4.082 20 0 GIADRO O=C(c1ccncc1)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457196136 822860216 /nfs/dbraw/zinc/86/02/16/822860216.db2.gz PURISLDCBXGSRG-HSZRJFAPSA-N 1 0 377.532 4.379 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCc1nc2ccccc2s1 ZINC000174952502 822860482 /nfs/dbraw/zinc/86/04/82/822860482.db2.gz GAMOFIBHFRWDRS-IBGZPJMESA-N 1 0 393.556 4.209 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000174953955 822860628 /nfs/dbraw/zinc/86/06/28/822860628.db2.gz BLMKZVIUNJLOFW-HNNXBMFYSA-N 1 0 392.341 4.268 20 0 GIADRO Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000457204070 822860613 /nfs/dbraw/zinc/86/06/13/822860613.db2.gz PRYOFADGMWZWHC-UHFFFAOYSA-N 1 0 385.455 4.228 20 0 GIADRO Cc1c2cc(Br)ccc2oc1C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000457203285 822860655 /nfs/dbraw/zinc/86/06/55/822860655.db2.gz NZBTZERNZRJRIP-UHFFFAOYSA-N 1 0 379.298 4.108 20 0 GIADRO CCC[C@@H](C(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1)c1ccccc1 ZINC000186208329 822861082 /nfs/dbraw/zinc/86/10/82/822861082.db2.gz NPVYRRHRAKYLKV-HXUWFJFHSA-N 1 0 381.520 4.408 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)N[C@@H](C)c2ccc(OC)c(F)c2)cc1 ZINC000054073323 822861417 /nfs/dbraw/zinc/86/14/17/822861417.db2.gz BLXVSMRFWWHIJF-INIZCTEOSA-N 1 0 387.499 4.237 20 0 GIADRO Cc1cc(F)cc2[nH]c(C(=O)N(C)C[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc21 ZINC000174963275 822862164 /nfs/dbraw/zinc/86/21/64/822862164.db2.gz IWPKJERHUMWUGG-SFHVURJKSA-N 1 0 379.479 4.210 20 0 GIADRO Cc1cc2occ(C(=O)NC3CC[NH+]([C@@H](C)c4ccncc4)CC3)c2cc1C ZINC000186224968 822862362 /nfs/dbraw/zinc/86/23/62/822862362.db2.gz XFIOUMGOWOORJU-KRWDZBQOSA-N 1 0 377.488 4.400 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cccn1Cc1cccs1 ZINC000174970042 822862692 /nfs/dbraw/zinc/86/26/92/822862692.db2.gz UEDAGLUCTQRHRF-FQEVSTJZSA-N 1 0 393.556 4.192 20 0 GIADRO CC(C)c1ccc2c(c1)[C@H](NC(=O)NC1CC[NH+](Cc3ccncc3)CC1)CC2 ZINC000186232546 822862994 /nfs/dbraw/zinc/86/29/94/822862994.db2.gz YREWKBGGJLKTOH-HSZRJFAPSA-N 1 0 392.547 4.156 20 0 GIADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)Nc1c(F)cccc1OC ZINC000186232581 822863254 /nfs/dbraw/zinc/86/32/54/822863254.db2.gz GKSCLWJGRGVPOH-UHFFFAOYSA-N 1 0 379.501 4.272 20 0 GIADRO CC[NH+]1CCN(Cc2ccc(CN[C@@H](C)c3csc(C(C)C)n3)cc2)CC1 ZINC000186250681 822864901 /nfs/dbraw/zinc/86/49/01/822864901.db2.gz MZCJFRBYMVTAJA-SFHVURJKSA-N 1 0 386.609 4.255 20 0 GIADRO COc1cc(NC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)ccc1OC(C)C ZINC000186252229 822865203 /nfs/dbraw/zinc/86/52/03/822865203.db2.gz CIUJMLSIBRBWTB-QGZVFWFLSA-N 1 0 377.529 4.116 20 0 GIADRO CCOc1ccc(-c2nc(C(=O)N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C(C)C)cs2)cc1 ZINC000175004508 822865935 /nfs/dbraw/zinc/86/59/35/822865935.db2.gz DAAALJUEQRLVLR-MSOLQXFVSA-N 1 0 399.560 4.296 20 0 GIADRO Cc1ccc(SC2CCCC2)c(C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)c1 ZINC000568975593 822866746 /nfs/dbraw/zinc/86/67/46/822866746.db2.gz MGWMPKRNSDVJQX-MRXNPFEDSA-N 1 0 381.545 4.493 20 0 GIADRO Cc1ccc(C(=O)C2CCN(C(=O)Nc3cccc4c3CC[NH2+]C4)CC2)c(C)c1 ZINC000568972597 822866799 /nfs/dbraw/zinc/86/67/99/822866799.db2.gz GKLXPGFJPAGUTF-UHFFFAOYSA-N 1 0 391.515 4.076 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)N2CC[C@@H](CSc3ccccc3)C2)c1 ZINC000175011170 822866996 /nfs/dbraw/zinc/86/69/96/822866996.db2.gz DVFOFBHLVAXKRL-HXUWFJFHSA-N 1 0 383.561 4.072 20 0 GIADRO Cc1ccc(NC(=O)C(C)(C)c2ccccc2C)cc1NC(=O)CC[NH+](C)C ZINC000186270088 822867740 /nfs/dbraw/zinc/86/77/40/822867740.db2.gz SZIRKNXXWGHKCI-UHFFFAOYSA-N 1 0 381.520 4.110 20 0 GIADRO CC(C)c1nc([C@H](C)NC[C@H](O)COc2cccc(C(F)(F)F)c2)cs1 ZINC000186274596 822868477 /nfs/dbraw/zinc/86/84/77/822868477.db2.gz CRBAZOZEWWOWDU-JSGCOSHPSA-N 1 0 388.455 4.376 20 0 GIADRO O=C(Nc1ccc(Cl)cn1)C1CC[NH+](Cc2ccc(F)c3cccnc23)CC1 ZINC000054217217 822868737 /nfs/dbraw/zinc/86/87/37/822868737.db2.gz BJXMKXNLWHMTRN-UHFFFAOYSA-N 1 0 398.869 4.273 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)CC1 ZINC000175021366 822868800 /nfs/dbraw/zinc/86/88/00/822868800.db2.gz ARENVERYACGXJU-RTBURBONSA-N 1 0 384.470 4.191 20 0 GIADRO Cc1nc([C@H]2CCCN2C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)cs1 ZINC000186276271 822868890 /nfs/dbraw/zinc/86/88/90/822868890.db2.gz GWPYXFXYQMWEQE-HXUWFJFHSA-N 1 0 386.565 4.338 20 0 GIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CCc2ncc(-c3ccccc3)o2)C1 ZINC000054224202 822869206 /nfs/dbraw/zinc/86/92/06/822869206.db2.gz TXAZNYNJMOSNDY-RXVVDRJESA-N 1 0 389.499 4.226 20 0 GIADRO Cc1onc(-c2ccc(F)cc2)c1C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000054223411 822869308 /nfs/dbraw/zinc/86/93/08/822869308.db2.gz BCAZUPVDSOAXGJ-MGPUTAFESA-N 1 0 393.462 4.354 20 0 GIADRO C[C@@H]1C[C@H](CCNC(=O)Nc2cc(C3CC3)ccn2)C[N@@H+]1Cc1ccccc1 ZINC000569010755 822869411 /nfs/dbraw/zinc/86/94/11/822869411.db2.gz QSKGOUIWIFMEMU-MJGOQNOKSA-N 1 0 378.520 4.381 20 0 GIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Cc2csc(-c3cccs3)n2)C1 ZINC000054225409 822869576 /nfs/dbraw/zinc/86/95/76/822869576.db2.gz AUCZGRHZCPORKV-RDJZCZTQSA-N 1 0 397.569 4.366 20 0 GIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccc(F)cc2Br)C1 ZINC000054225360 822869656 /nfs/dbraw/zinc/86/96/56/822869656.db2.gz XCKACDANSKEXFL-BBRMVZONSA-N 1 0 391.284 4.154 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000054227119 822869769 /nfs/dbraw/zinc/86/97/69/822869769.db2.gz ZEDVVPVSVUOAGG-RXVVDRJESA-N 1 0 388.515 4.054 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Cc2csc(-c3ccccc3)n2)C1 ZINC000054227374 822869884 /nfs/dbraw/zinc/86/98/84/822869884.db2.gz KOCWVPVGCNAIKG-XLIONFOSSA-N 1 0 391.540 4.304 20 0 GIADRO CCCc1c(C(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)[nH]c(C)c1C(C)=O ZINC000054228249 822870025 /nfs/dbraw/zinc/87/00/25/822870025.db2.gz OARPJPIHZNEWDE-LPHOPBHVSA-N 1 0 381.520 4.044 20 0 GIADRO COc1cc(C[NH2+]CCC[C@H]2CCCCO2)ccc1OCc1c(C)noc1C ZINC000186283042 822870139 /nfs/dbraw/zinc/87/01/39/822870139.db2.gz KWVRXRDWCACRLK-LJQANCHMSA-N 1 0 388.508 4.318 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)[C@H]2C[C@H]2c2ccc(F)cc2F)CC1 ZINC000175027277 822870455 /nfs/dbraw/zinc/87/04/55/822870455.db2.gz PGORQTLFPFTTOB-SFTDATJTSA-N 1 0 384.470 4.191 20 0 GIADRO COc1ccc([C@@H]2CCN(C(=O)c3cccc(-c4ccoc4)c3)C[C@H]2[NH3+])cc1F ZINC000457365737 822870606 /nfs/dbraw/zinc/87/06/06/822870606.db2.gz CHTZOLMFUBNSQC-PZJWPPBQSA-N 1 0 394.446 4.051 20 0 GIADRO [NH3+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2c(F)cccc2Cl)CC[C@@H]1c1ccc(F)cc1 ZINC000457368730 822870732 /nfs/dbraw/zinc/87/07/32/822870732.db2.gz FUKJEHDYEKPJHR-YYAJDYIMSA-N 1 0 390.861 4.065 20 0 GIADRO COc1ccc([C@@H]2CCN(C(=O)CC[C@@H](C)c3ccccc3)C[C@H]2[NH3+])cc1F ZINC000457377158 822871413 /nfs/dbraw/zinc/87/14/13/822871413.db2.gz MOHQVRBPKFLQGC-LKUPVBHCSA-N 1 0 384.495 4.061 20 0 GIADRO Cc1ccccc1-c1nc(C(=O)N2CC[C@H](c3ccc(F)cc3)[C@H]([NH3+])C2)cs1 ZINC000457384556 822871822 /nfs/dbraw/zinc/87/18/22/822871822.db2.gz RUEBCESOMZSCLA-RTBURBONSA-N 1 0 395.503 4.215 20 0 GIADRO COc1ccc([C@H]2CCN(C(=O)c3oc4c(cccc4C)c3C)C[C@@H]2[NH3+])cc1F ZINC000457390367 822872434 /nfs/dbraw/zinc/87/24/34/822872434.db2.gz XBSOELJFXIYVEM-MJGOQNOKSA-N 1 0 396.462 4.154 20 0 GIADRO COc1ccc([C@H]2CCN(C(=O)c3oc4c(cccc4C)c3C)C[C@H]2[NH3+])cc1F ZINC000457390366 822872452 /nfs/dbraw/zinc/87/24/52/822872452.db2.gz XBSOELJFXIYVEM-IEBWSBKVSA-N 1 0 396.462 4.154 20 0 GIADRO COc1ccc([C@@H]2CCN(C(=O)c3oc4c(cccc4C)c3C)C[C@@H]2[NH3+])cc1F ZINC000457390363 822872460 /nfs/dbraw/zinc/87/24/60/822872460.db2.gz XBSOELJFXIYVEM-HKUYNNGSSA-N 1 0 396.462 4.154 20 0 GIADRO CC(C)[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1 ZINC000569041308 822872518 /nfs/dbraw/zinc/87/25/18/822872518.db2.gz RFMZAYPNEJHYLN-WOJBJXKFSA-N 1 0 383.536 4.360 20 0 GIADRO COc1ccc([C@@H]2CCN(C(=O)c3ccc(Cl)cc3Cl)C[C@H]2[NH3+])cc1F ZINC000457392003 822872621 /nfs/dbraw/zinc/87/26/21/822872621.db2.gz YOCAVEPTSWSUTP-SUMWQHHRSA-N 1 0 397.277 4.098 20 0 GIADRO O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000186299108 822873036 /nfs/dbraw/zinc/87/30/36/822873036.db2.gz IZKYGCFTELUNRH-UHFFFAOYSA-N 1 0 375.822 4.451 20 0 GIADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(NC(=O)c3cccs3)cc2)C1 ZINC000054286827 822873223 /nfs/dbraw/zinc/87/32/23/822873223.db2.gz LEPRGLHTYKBQQW-MRXNPFEDSA-N 1 0 399.560 4.241 20 0 GIADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(NC(=O)c3cccs3)cc2)C1 ZINC000054286828 822873282 /nfs/dbraw/zinc/87/32/82/822873282.db2.gz LEPRGLHTYKBQQW-INIZCTEOSA-N 1 0 399.560 4.241 20 0 GIADRO Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]C[C@H](CO)c1ccccc1 ZINC000175047475 822873358 /nfs/dbraw/zinc/87/33/58/822873358.db2.gz HNWTULFUOBUGJX-HXUWFJFHSA-N 1 0 383.923 4.067 20 0 GIADRO O=C(NCC(F)(F)c1ccccc1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000569047978 822873435 /nfs/dbraw/zinc/87/34/35/822873435.db2.gz ZZZWTDJJNOYYES-SEJPIABJSA-N 1 0 399.485 4.273 20 0 GIADRO Cc1cc(C[NH2+]C[C@H](CO)c2ccccc2)cc(C)c1OCc1ccccn1 ZINC000175048896 822873547 /nfs/dbraw/zinc/87/35/47/822873547.db2.gz FUAFCJSBAYUDRB-JOCHJYFZSA-N 1 0 376.500 4.143 20 0 GIADRO C[C@H](Cc1cccc(F)c1)N(C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000457421685 822874114 /nfs/dbraw/zinc/87/41/14/822874114.db2.gz YSXVGCGCBMZRCS-GOSISDBHSA-N 1 0 383.511 4.063 20 0 GIADRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)CCc1ncc(-c2ccccc2Cl)o1 ZINC000186314727 822875061 /nfs/dbraw/zinc/87/50/61/822875061.db2.gz HUGOFYGHHGRQBN-INIZCTEOSA-N 1 0 389.927 4.308 20 0 GIADRO CCOC(=O)c1nn(C)cc1C[NH2+][C@H](CCc1ccccc1)c1ccccc1 ZINC000186314864 822875066 /nfs/dbraw/zinc/87/50/66/822875066.db2.gz DDICOQAUAJXGQF-OAQYLSRUSA-N 1 0 377.488 4.061 20 0 GIADRO C[C@H]1CN(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)[C@H]1c1ccccc1 ZINC000175060447 822875509 /nfs/dbraw/zinc/87/55/09/822875509.db2.gz IJCVIYAKSTWYEG-WMZHIEFXSA-N 1 0 377.532 4.096 20 0 GIADRO COc1ccc([C@@H](NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)c2ccco2)cc1 ZINC000457444230 822875529 /nfs/dbraw/zinc/87/55/29/822875529.db2.gz FLTLAVJHWQVMJL-FXAWDEMLSA-N 1 0 399.516 4.041 20 0 GIADRO CC(C)C[N@H+](Cc1ccc(-n2cncn2)c(F)c1)[C@H]1CCCc2cccnc21 ZINC000569062634 822875717 /nfs/dbraw/zinc/87/57/17/822875717.db2.gz DMJIZQHPVUZASL-NRFANRHFSA-N 1 0 379.483 4.337 20 0 GIADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)NC[C@@H]1CSc2ccccc21 ZINC000457448023 822875901 /nfs/dbraw/zinc/87/59/01/822875901.db2.gz FLSZDIFMMSDVTL-WBVHZDCISA-N 1 0 387.574 4.074 20 0 GIADRO O=C(c1ccc(CN2CCC[N@H+](CC3CCCCC3)CC2)cc1)N1CCCC1 ZINC000054319108 822876008 /nfs/dbraw/zinc/87/60/08/822876008.db2.gz ZYQRWZLKTBHZCA-UHFFFAOYSA-N 1 0 383.580 4.011 20 0 GIADRO C[C@H]([NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)[C@@H](c1ccccc1)N(C)C ZINC000186324571 822876276 /nfs/dbraw/zinc/87/62/76/822876276.db2.gz VNKJCDDBWLLXOP-JTSKRJEESA-N 1 0 399.966 4.226 20 0 GIADRO CC(C)COC1CC[NH+](CCC(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC000054325873 822876587 /nfs/dbraw/zinc/87/65/87/822876587.db2.gz PFKODJNQBACGIR-UHFFFAOYSA-N 1 0 394.559 4.419 20 0 GIADRO Cc1csc([C@@H](NC(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)C2CC2)n1 ZINC000186327243 822876586 /nfs/dbraw/zinc/87/65/86/822876586.db2.gz NXOWDCMHIMIVHW-PMACEKPBSA-N 1 0 398.576 4.112 20 0 GIADRO C[C@@H]([NH2+]C1CCC2(CC1)c1ccccc1NC2=O)[C@H](c1ccccc1)N(C)C ZINC000186329021 822876722 /nfs/dbraw/zinc/87/67/22/822876722.db2.gz ZWNQDRRFULCFLZ-OVOLTKQJSA-N 1 0 377.532 4.100 20 0 GIADRO C[N@H+](CCC(=O)Nc1ccccc1F)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000054339101 822876831 /nfs/dbraw/zinc/87/68/31/822876831.db2.gz QQNHWVRKVHBUOU-PKOBYXMFSA-N 1 0 397.277 4.051 20 0 GIADRO C[C@@H]([NH2+]C1CCC2(CC1)c1ccccc1NC2=O)[C@@H](c1ccccc1)N(C)C ZINC000186328984 822876806 /nfs/dbraw/zinc/87/68/06/822876806.db2.gz ZWNQDRRFULCFLZ-FIFRQSLGSA-N 1 0 377.532 4.100 20 0 GIADRO Cc1noc([C@@H]2CCC[N@H+](CCOC(c3ccccc3)c3ccccc3)C2)n1 ZINC000054341679 822876888 /nfs/dbraw/zinc/87/68/88/822876888.db2.gz TVYJNEDBLKGXOK-OAQYLSRUSA-N 1 0 377.488 4.364 20 0 GIADRO Cc1ccc([C@@H](C)NC(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1F ZINC000569074261 822877195 /nfs/dbraw/zinc/87/71/95/822877195.db2.gz PRFPCYIEUHREOA-QGZVFWFLSA-N 1 0 399.510 4.168 20 0 GIADRO CCOc1ccccc1NC(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000569077107 822877354 /nfs/dbraw/zinc/87/73/54/822877354.db2.gz MIBLLKYRTSNWDC-UPVQGACJSA-N 1 0 394.515 4.268 20 0 GIADRO Cc1cccc([C@H]2CCCCN2C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)c1C ZINC000175076696 822878263 /nfs/dbraw/zinc/87/82/63/822878263.db2.gz ZJNXJEIPWNUONZ-NZQKXSOJSA-N 1 0 399.579 4.041 20 0 GIADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000457479134 822879426 /nfs/dbraw/zinc/87/94/26/822879426.db2.gz CQHDPPBSPBDLHB-QFBILLFUSA-N 1 0 385.533 4.415 20 0 GIADRO CC(C)c1nc([C@H](C)[NH2+]C[C@H](O)c2cc(Cl)c3c(c2)OCCO3)cs1 ZINC000186351584 822880376 /nfs/dbraw/zinc/88/03/76/822880376.db2.gz OPHNAYIEQYHXDG-NHYWBVRUSA-N 1 0 382.913 4.075 20 0 GIADRO CN(C)CC(=O)Nc1ccc(NC(=O)Cc2ccc(-c3ccccc3)cc2)cc1 ZINC000175091283 822880550 /nfs/dbraw/zinc/88/05/50/822880550.db2.gz GBMDFIFKBNJUDF-UHFFFAOYSA-N 1 0 387.483 4.035 20 0 GIADRO Cc1c([C@H](C)[NH2+]C2CCC(O)(c3cccnc3)CC2)cnn1-c1ccc(F)cc1 ZINC000186353526 822880627 /nfs/dbraw/zinc/88/06/27/822880627.db2.gz QMOWHLKDKXOYPU-LIEIEOFGSA-N 1 0 394.494 4.196 20 0 GIADRO Cc1c([C@@H](C)[NH2+]C2CCC(O)(c3cccnc3)CC2)cnn1-c1ccc(F)cc1 ZINC000186353508 822880721 /nfs/dbraw/zinc/88/07/21/822880721.db2.gz QMOWHLKDKXOYPU-YEIQHBHTSA-N 1 0 394.494 4.196 20 0 GIADRO Cc1ccc([C@H]([NH2+][C@H]2CCC[C@H](F)C2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000569120488 822881305 /nfs/dbraw/zinc/88/13/05/822881305.db2.gz WZCNJUBYJGMVAX-ZJOUEHCJSA-N 1 0 375.509 4.358 20 0 GIADRO CC(C)(C)N1CC[C@H]([NH2+]Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)C1=O ZINC000569120205 822881355 /nfs/dbraw/zinc/88/13/55/822881355.db2.gz RTYOOSJRQTWARS-IBGZPJMESA-N 1 0 399.922 4.081 20 0 GIADRO COc1ccccc1[C@@H](C[NH2+]Cc1ccc2c(c1)COC(C)(C)O2)N1CCCC1 ZINC000186359003 822881669 /nfs/dbraw/zinc/88/16/69/822881669.db2.gz NXJFHEQVGGRPQM-OAQYLSRUSA-N 1 0 396.531 4.267 20 0 GIADRO O=C1C[C@H](c2ccccc2)[N@H+](Cc2cc(-c3ccc(Cl)cc3)no2)CCN1 ZINC000054395868 822881935 /nfs/dbraw/zinc/88/19/35/822881935.db2.gz YQZWRPQUQAVWIA-HXUWFJFHSA-N 1 0 381.863 4.058 20 0 GIADRO CCc1nc(C)c(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)s1 ZINC000569131867 822882457 /nfs/dbraw/zinc/88/24/57/822882457.db2.gz FFGFPLPYFGVPQH-HNNXBMFYSA-N 1 0 379.476 4.110 20 0 GIADRO Cc1ccc(C[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)c(N2CCOCC2)c1 ZINC000569133498 822882667 /nfs/dbraw/zinc/88/26/67/822882667.db2.gz GVNAMXWMZSHCFX-QFIPXVFZSA-N 1 0 375.516 4.480 20 0 GIADRO c1ccc(COCCC2(C[NH2+]C3CCN(Cc4ccncc4)CC3)CC2)cc1 ZINC000186370991 822883472 /nfs/dbraw/zinc/88/34/72/822883472.db2.gz BBBSIBSWKLYQNM-UHFFFAOYSA-N 1 0 379.548 4.023 20 0 GIADRO CCc1ccc([C@@H](CN[C@@H](c2cccs2)c2nc[nH]n2)[NH+](CC)CC)cc1 ZINC000569146176 822883811 /nfs/dbraw/zinc/88/38/11/822883811.db2.gz NTVFDPZZAHDOKJ-QUCCMNQESA-N 1 0 383.565 4.191 20 0 GIADRO Cc1ccsc1C[N@H+](C)CCC(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000054426958 822884276 /nfs/dbraw/zinc/88/42/76/822884276.db2.gz WEDCYIMVPOLFHS-UHFFFAOYSA-N 1 0 382.533 4.320 20 0 GIADRO O=C(CC[NH2+][C@H]1CCc2cc(F)ccc21)Nc1cccc(Br)c1 ZINC000569152997 822884835 /nfs/dbraw/zinc/88/48/35/822884835.db2.gz BRABSWSUYOCQRG-KRWDZBQOSA-N 1 0 377.257 4.194 20 0 GIADRO COc1cc(CN2CC[C@@H]([NH2+][C@H](C)c3csc(C(C)C)n3)C2)cc(OC)c1 ZINC000186380784 822885236 /nfs/dbraw/zinc/88/52/36/822885236.db2.gz ZJJGOOASECLEGK-NVXWUHKLSA-N 1 0 389.565 4.209 20 0 GIADRO CC[C@H](CNC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)c1ccccc1 ZINC000457528665 822886213 /nfs/dbraw/zinc/88/62/13/822886213.db2.gz USHOCDDYVDKHLT-MRXNPFEDSA-N 1 0 385.474 4.238 20 0 GIADRO CC1(CC(F)(F)F)CN(C(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000457535603 822887265 /nfs/dbraw/zinc/88/72/65/822887265.db2.gz JWOBRPKMZMLMRW-UHFFFAOYSA-N 1 0 383.458 4.156 20 0 GIADRO CC(C)Oc1ccc([C@@H](C[NH2+]Cc2cccc(-n3cccn3)c2)N(C)C)cc1 ZINC000569166847 822887337 /nfs/dbraw/zinc/88/73/37/822887337.db2.gz VIZLUTXWSVPJSQ-HSZRJFAPSA-N 1 0 378.520 4.052 20 0 GIADRO COCCCOc1ccccc1NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000054471275 822888228 /nfs/dbraw/zinc/88/82/28/822888228.db2.gz ICOXMYKWUKCGOW-UHFFFAOYSA-N 1 0 397.519 4.019 20 0 GIADRO O=C(c1ccccc1Nc1ccccc1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000175130153 822888527 /nfs/dbraw/zinc/88/85/27/822888527.db2.gz ZQMKUSCKVOFURU-UHFFFAOYSA-N 1 0 393.531 4.147 20 0 GIADRO CN(C)C(=O)c1cccc(CC[NH2+]Cc2c(Cl)cc(Cl)cc2N(C)C)c1 ZINC000569175364 822888842 /nfs/dbraw/zinc/88/88/42/822888842.db2.gz JCXCVAYGZOSYEA-UHFFFAOYSA-N 1 0 394.346 4.094 20 0 GIADRO CC(C)NC(=O)Nc1ccc(C[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)cc1 ZINC000186406446 822889229 /nfs/dbraw/zinc/88/92/29/822889229.db2.gz JNKSMAJXGOEVSM-UHFFFAOYSA-N 1 0 383.492 4.151 20 0 GIADRO c1nc(C2CC2)c(C[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)s1 ZINC000569180197 822889611 /nfs/dbraw/zinc/88/96/11/822889611.db2.gz CDOPZKZVFNRIJA-IIBYNOLFSA-N 1 0 393.516 4.019 20 0 GIADRO C[C@H]1CN(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)CC[N@@H+](C2CC2)C1 ZINC000457557728 822890704 /nfs/dbraw/zinc/89/07/04/822890704.db2.gz SQGJMMMIPHUDHB-CXAGYDPISA-N 1 0 379.957 4.003 20 0 GIADRO CCC[N@@H+]1CC[C@H](CNC(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000054510975 822891522 /nfs/dbraw/zinc/89/15/22/822891522.db2.gz SNAPRXSTHWBQNW-OAHLLOKOSA-N 1 0 384.351 4.399 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+]CCc2nc(-c3ccccc3)c(C)s2)C12CCOCC2 ZINC000186419540 822891623 /nfs/dbraw/zinc/89/16/23/822891623.db2.gz KETJTGXWJXLCSD-RBUKOAKNSA-N 1 0 386.561 4.225 20 0 GIADRO CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@@H](C)c2sc(-c3ccccc3)nc2C)C1 ZINC000054510630 822891639 /nfs/dbraw/zinc/89/16/39/822891639.db2.gz VHBQQZPBJPBJQQ-IRXDYDNUSA-N 1 0 386.565 4.211 20 0 GIADRO COc1ccc(-c2n[nH]cc2C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)cc1 ZINC000569200108 822892193 /nfs/dbraw/zinc/89/21/93/822892193.db2.gz CDBCHIVOWYHVDR-HSZRJFAPSA-N 1 0 389.499 4.439 20 0 GIADRO CC(C)(Cc1ccc(Cl)cc1)C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000457568308 822892365 /nfs/dbraw/zinc/89/23/65/822892365.db2.gz VVJGZQUCKLLDNR-UHFFFAOYSA-N 1 0 392.971 4.060 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)c1ccc2nc(-c3ccccc3)oc2c1 ZINC000569202295 822892501 /nfs/dbraw/zinc/89/25/01/822892501.db2.gz UNBRVWBBRCKFNU-UHFFFAOYSA-N 1 0 375.472 4.242 20 0 GIADRO Cc1ccc(Oc2ccc(C(=O)N(CC(C)C)C3CC[NH+](C)CC3)nc2)cc1 ZINC000457572357 822893104 /nfs/dbraw/zinc/89/31/04/822893104.db2.gz IFUVTVZYEZOBND-UHFFFAOYSA-N 1 0 381.520 4.375 20 0 GIADRO Cc1cc(Br)cc(C)c1NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000175155531 822893704 /nfs/dbraw/zinc/89/37/04/822893704.db2.gz DWZBFYUWXCDDDU-MRXNPFEDSA-N 1 0 382.346 4.404 20 0 GIADRO Cc1cccc(Oc2ccc(C(=O)N3CCC[C@@H]([NH+]4CCCC4)CC3)nc2)c1 ZINC000457580922 822894088 /nfs/dbraw/zinc/89/40/88/822894088.db2.gz PRWOSLGVDAUHKP-LJQANCHMSA-N 1 0 379.504 4.273 20 0 GIADRO CCOC(=O)N1CCC([C@@H](C)[NH2+]Cc2nc(-c3cccs3)oc2C)CC1 ZINC000186431386 822894190 /nfs/dbraw/zinc/89/41/90/822894190.db2.gz CRCYMKNEHDIMML-CYBMUJFWSA-N 1 0 377.510 4.058 20 0 GIADRO C[C@@H]([NH2+]Cc1nc(COc2ccccc2)n[nH]1)[C@@H](C)c1nc2ccccc2s1 ZINC000186433670 822894615 /nfs/dbraw/zinc/89/46/15/822894615.db2.gz RYROKVKBDAMGCT-HUUCEWRRSA-N 1 0 393.516 4.275 20 0 GIADRO Cc1ccc(C[NH2+]Cc2ccc(NC(=O)NC(C)C)cc2)c(-c2ccnn2C)c1 ZINC000569231501 822894875 /nfs/dbraw/zinc/89/48/75/822894875.db2.gz ZAXFDINPDWPXQX-UHFFFAOYSA-N 1 0 391.519 4.215 20 0 GIADRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)[C@@H]1CCCC[C@H]1C ZINC000569232544 822895210 /nfs/dbraw/zinc/89/52/10/822895210.db2.gz FXOHDLNAUNNMQT-DUXKGJEZSA-N 1 0 380.536 4.403 20 0 GIADRO Cc1cccc(Oc2ccc(C(=O)N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C(C)C)nc2)c1 ZINC000457593660 822895912 /nfs/dbraw/zinc/89/59/12/822895912.db2.gz DWHFRQOFSOIEBX-MOPGFXCFSA-N 1 0 379.504 4.270 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)Nc2cccc(C(=O)N3CCCCC3)c2)cc1 ZINC000054591335 822897820 /nfs/dbraw/zinc/89/78/20/822897820.db2.gz GFLXCAROAAPDDV-UHFFFAOYSA-N 1 0 393.531 4.407 20 0 GIADRO CCC(CC)[C@H](CNC(=O)N[C@@H]1CCO[C@H](c2cccs2)C1)[NH+]1CCCC1 ZINC000457620797 822898046 /nfs/dbraw/zinc/89/80/46/822898046.db2.gz QANZFCCQAIGKMD-QYZOEREBSA-N 1 0 393.597 4.168 20 0 GIADRO C[C@H]([NH2+]C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)c1nccs1 ZINC000186465027 822899730 /nfs/dbraw/zinc/89/97/30/822899730.db2.gz QOUDQEKCSOLXIU-LBPRGKRZSA-N 1 0 383.439 4.117 20 0 GIADRO C[C@H]1OCC[C@@]1(O)C[N@H+](Cc1ccc(C(F)(F)F)s1)Cc1ccccc1 ZINC000569276023 822900104 /nfs/dbraw/zinc/90/01/04/822900104.db2.gz JOIYIPRUFRSUBG-RDTXWAMCSA-N 1 0 385.451 4.309 20 0 GIADRO Cc1cccc(CN(C)C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)n1 ZINC000457644660 822900537 /nfs/dbraw/zinc/90/05/37/822900537.db2.gz HEQXVZXNJOLONE-IBGZPJMESA-N 1 0 380.536 4.106 20 0 GIADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc(Oc4cccc(Cl)c4)cn3)CC[C@@H]21 ZINC000457645548 822900645 /nfs/dbraw/zinc/90/06/45/822900645.db2.gz FWKVBNWTCYQZBG-YWZLYKJASA-N 1 0 385.895 4.084 20 0 GIADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc(Oc4cccc(Cl)c4)cn3)CC[C@H]21 ZINC000457645542 822900767 /nfs/dbraw/zinc/90/07/67/822900767.db2.gz FWKVBNWTCYQZBG-FOIQADDNSA-N 1 0 385.895 4.084 20 0 GIADRO O=C(c1cnc2ccccc2c1)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000457647865 822901071 /nfs/dbraw/zinc/90/10/71/822901071.db2.gz IPCDNBIGHKIBOE-URXFXBBRSA-N 1 0 385.511 4.362 20 0 GIADRO COc1cc([C@@H](C)[NH2+]CCc2nn(C)c3ccccc23)ccc1OC(F)F ZINC000186473140 822901134 /nfs/dbraw/zinc/90/11/34/822901134.db2.gz HCRBXKZJAMYFSW-CYBMUJFWSA-N 1 0 375.419 4.077 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)NCc2coc(-c3ccccc3)n2)c1 ZINC000175199543 822902565 /nfs/dbraw/zinc/90/25/65/822902565.db2.gz OCAMPVGLTGCSPK-UHFFFAOYSA-N 1 0 392.503 4.183 20 0 GIADRO CC(C)n1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000569309927 822905329 /nfs/dbraw/zinc/90/53/29/822905329.db2.gz DHQCLAYQHOQTMX-UHFFFAOYSA-N 1 0 394.567 4.242 20 0 GIADRO COC[C@@H]1CCCN(C(=O)Nc2cccc(-c3ncc4n3CCCC4)c2)CC1 ZINC000569311606 822905740 /nfs/dbraw/zinc/90/57/40/822905740.db2.gz YOBDHAVXFDVOII-QGZVFWFLSA-N 1 0 382.508 4.167 20 0 GIADRO O=C(NCC1CC[NH2+]CC1)Nc1ccc(Oc2cccc(F)c2)c2ccncc12 ZINC000569319501 822906753 /nfs/dbraw/zinc/90/67/53/822906753.db2.gz ZUXGAQVYVLSRSJ-UHFFFAOYSA-N 1 0 394.450 4.287 20 0 GIADRO O=C(Nc1ccccc1CCC(F)(F)F)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000569319930 822906956 /nfs/dbraw/zinc/90/69/56/822906956.db2.gz VTESVYRKSQNSNR-FUHWJXTLSA-N 1 0 377.410 4.059 20 0 GIADRO CC[C@H](CC(F)F)C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000457694807 822907866 /nfs/dbraw/zinc/90/78/66/822907866.db2.gz RSGCCLZKEQMGQB-BTJLNZGRSA-N 1 0 376.850 4.270 20 0 GIADRO CC(C)Oc1ccc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c(Cl)c1 ZINC000457695669 822907949 /nfs/dbraw/zinc/90/79/49/822907949.db2.gz OTHBYUWSMQTPHP-UHFFFAOYSA-N 1 0 387.911 4.169 20 0 GIADRO COc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H](C)c3ccc(C)s3)CC2)cc1 ZINC000054731024 822908353 /nfs/dbraw/zinc/90/83/53/822908353.db2.gz WIVGCFKZQMUCOX-KRWDZBQOSA-N 1 0 387.549 4.044 20 0 GIADRO C[C@@H]1CN(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)[C@@H]1c1ccccc1 ZINC000175224539 822908472 /nfs/dbraw/zinc/90/84/72/822908472.db2.gz BUNSRUOUIJLNEK-VGSWGCGISA-N 1 0 381.495 4.193 20 0 GIADRO Cc1cc(Br)c(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)s1 ZINC000457702877 822908529 /nfs/dbraw/zinc/90/85/29/822908529.db2.gz RTVOICVFYRHAIM-STQMWFEESA-N 1 0 385.371 4.202 20 0 GIADRO Cc1cc(Br)c(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)s1 ZINC000457702875 822908607 /nfs/dbraw/zinc/90/86/07/822908607.db2.gz RTVOICVFYRHAIM-QWHCGFSZSA-N 1 0 385.371 4.202 20 0 GIADRO COc1ccc([C@H](CNC(=O)N[C@H](C)c2ccc(C)s2)[NH+]2CCCC2)cc1 ZINC000054733060 822908857 /nfs/dbraw/zinc/90/88/57/822908857.db2.gz QVSYBFCFNWSSKU-APWZRJJASA-N 1 0 387.549 4.262 20 0 GIADRO COc1ccc2c(c1)nc(C[NH2+][C@H](C)CC(=O)Nc1ccccc1C(C)C)n2C ZINC000186529304 822909168 /nfs/dbraw/zinc/90/91/68/822909168.db2.gz PGDLNUDGELOJHM-MRXNPFEDSA-N 1 0 394.519 4.212 20 0 GIADRO C[C@@H](NC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1)c1ccc2n[nH]cc2c1 ZINC000569339658 822909247 /nfs/dbraw/zinc/90/92/47/822909247.db2.gz JCOLOVNPAPJJPS-IAGOWNOFSA-N 1 0 391.519 4.149 20 0 GIADRO C[C@@]1(C[NH3+])CCN(CC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)C1 ZINC000569341408 822909416 /nfs/dbraw/zinc/90/94/16/822909416.db2.gz WMOJQZTWROHOIG-FQEVSTJZSA-N 1 0 389.952 4.100 20 0 GIADRO CC(C)[N@@H+](Cc1ccc(NC(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)cc1)C[C@H]1CCCCO1 ZINC000457709719 822909698 /nfs/dbraw/zinc/90/96/98/822909698.db2.gz ODKVRFGPKQSFNJ-PDGJWGCVSA-N 1 0 398.547 4.020 20 0 GIADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc2nc(-c3ccccc3)oc2c1 ZINC000569368407 822911908 /nfs/dbraw/zinc/91/19/08/822911908.db2.gz NCRPECUVHJCFQQ-APWZRJJASA-N 1 0 375.472 4.194 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H](Cc2ccccc2)c2ccccc2F)CC[N@@H+]1C ZINC000175243357 822912465 /nfs/dbraw/zinc/91/24/65/822912465.db2.gz OKDLLYVSHILHGH-LZNRXBQRSA-N 1 0 383.511 4.234 20 0 GIADRO Cc1csc([C@@H](C)C[NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)n1 ZINC000186562868 822913809 /nfs/dbraw/zinc/91/38/09/822913809.db2.gz FOZCBXDDONCQGF-RYUDHWBXSA-N 1 0 396.354 4.324 20 0 GIADRO O=C(NCC1CC[NH+](C2CC2)CC1)Nc1cccc(Br)c1Cl ZINC000569383525 822914143 /nfs/dbraw/zinc/91/41/43/822914143.db2.gz LNCORLLXTXKCBW-UHFFFAOYSA-N 1 0 386.721 4.098 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)N2CCCC[C@@H]2c2cccn2C)CC1 ZINC000175250041 822914188 /nfs/dbraw/zinc/91/41/88/822914188.db2.gz RKKUEASHDPXDLR-HSZRJFAPSA-N 1 0 394.563 4.235 20 0 GIADRO COc1ccc(C2(C[NH2+][C@H]3CCN(C)[C@@H](c4ccccc4)C3)CCOCC2)cc1 ZINC000569386525 822914439 /nfs/dbraw/zinc/91/44/39/822914439.db2.gz HXFXBISIUCEGGO-LADGPHEKSA-N 1 0 394.559 4.169 20 0 GIADRO O=C(c1ccccc1)N1CCC([NH2+]Cc2cccc(OC3CCCC3)c2)CC1 ZINC000054807835 822914677 /nfs/dbraw/zinc/91/46/77/822914677.db2.gz ZJRCNMXFUFQEPB-UHFFFAOYSA-N 1 0 378.516 4.402 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCCC[C@@H]1c1cccn1C ZINC000175252397 822914716 /nfs/dbraw/zinc/91/47/16/822914716.db2.gz MFFIOESCXGBOEC-JOCHJYFZSA-N 1 0 382.552 4.302 20 0 GIADRO Cc1csc([C@H](C)C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)n1 ZINC000186570524 822915296 /nfs/dbraw/zinc/91/52/96/822915296.db2.gz YOXRNIURSGQFPX-CYBMUJFWSA-N 1 0 377.941 4.103 20 0 GIADRO O=C(CCCCCc1cccs1)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000186581262 822916921 /nfs/dbraw/zinc/91/69/21/822916921.db2.gz OEVGSDCWZBCHIJ-HXUWFJFHSA-N 1 0 385.577 4.417 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)COc3cccc4cccnc43)cc2)C1 ZINC000569400355 822917100 /nfs/dbraw/zinc/91/71/00/822917100.db2.gz QOWGWURRQDDOCV-GOSISDBHSA-N 1 0 389.499 4.484 20 0 GIADRO CCCCOc1ccc(C[NH2+]Cc2cncc(Br)c2)cc1OC ZINC000186589607 822918601 /nfs/dbraw/zinc/91/86/01/822918601.db2.gz FFTYLHLCJFASOG-UHFFFAOYSA-N 1 0 379.298 4.321 20 0 GIADRO COC(=O)c1cc(C[NH2+][C@H](c2ccc(Br)cc2)C2CCC2)cn1C ZINC000569410285 822918645 /nfs/dbraw/zinc/91/86/45/822918645.db2.gz QGSOJYLHFDNRQZ-SFHVURJKSA-N 1 0 391.309 4.205 20 0 GIADRO COC[C@@]1(C[NH2+][C@H](C)c2ccc(SC)c(OC)c2)OCCc2ccccc21 ZINC000569413400 822919188 /nfs/dbraw/zinc/91/91/88/822919188.db2.gz DNWKMBNBDOLFIK-OPAMFIHVSA-N 1 0 387.545 4.182 20 0 GIADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N[C@@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC000457785948 822919313 /nfs/dbraw/zinc/91/93/13/822919313.db2.gz MBFFKXFBJKGSRG-NBYUQASBSA-N 1 0 375.944 4.292 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)Nc2cc(N3CCOC3=O)ccc2C)cc1)C(C)C ZINC000175266705 822919509 /nfs/dbraw/zinc/91/95/09/822919509.db2.gz BDGFPPCSCPKVIR-UHFFFAOYSA-N 1 0 395.503 4.434 20 0 GIADRO O=C(c1ccc(F)c(C(F)(F)F)c1)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000186594022 822920220 /nfs/dbraw/zinc/92/02/20/822920220.db2.gz YBSWIFCMSSAEJM-MRXNPFEDSA-N 1 0 395.400 4.024 20 0 GIADRO CCCc1nc(C)c(C(=O)N(CC)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000175274253 822921727 /nfs/dbraw/zinc/92/17/27/822921727.db2.gz FYBBZUMYOCGKIP-LJQANCHMSA-N 1 0 385.577 4.388 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cc1c[nH]c2cc(C)ccc12 ZINC000175277800 822922551 /nfs/dbraw/zinc/92/25/51/822922551.db2.gz GBOVSSLIEYPUTL-NRFANRHFSA-N 1 0 389.543 4.389 20 0 GIADRO COc1ccc([C@@H](NC(=O)NCc2ccccc2C[NH+]2CCCC2)C2CC2)cc1 ZINC000054924961 822922635 /nfs/dbraw/zinc/92/26/35/822922635.db2.gz RBHAJYAODMDWLJ-QHCPKHFHSA-N 1 0 393.531 4.242 20 0 GIADRO C[C@@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(c1ccccc1)c1ccccc1 ZINC000457821735 822922802 /nfs/dbraw/zinc/92/28/02/822922802.db2.gz XHULYBWTFONPDL-AMZGXZFVSA-N 1 0 377.532 4.131 20 0 GIADRO CCc1cccc(CC)c1NC(=S)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000054941453 822923250 /nfs/dbraw/zinc/92/32/50/822923250.db2.gz OGKNNCNQEYINGH-UHFFFAOYSA-N 1 0 382.577 4.157 20 0 GIADRO COc1ccc([C@H](C)[NH2+]Cc2cc(Cl)cc3c2OCC3)cc1Cn1cccn1 ZINC000186613560 822923486 /nfs/dbraw/zinc/92/34/86/822923486.db2.gz GHLWFPFNIBUDNE-HNNXBMFYSA-N 1 0 397.906 4.379 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1coc(Br)c1 ZINC000175282291 822923517 /nfs/dbraw/zinc/92/35/17/822923517.db2.gz MQCZMSVWXCWQMS-INIZCTEOSA-N 1 0 391.309 4.026 20 0 GIADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(Oc2cccc(Cl)c2)cn1 ZINC000457832267 822923741 /nfs/dbraw/zinc/92/37/41/822923741.db2.gz YHCLENGYIPMURC-FOIQADDNSA-N 1 0 385.895 4.226 20 0 GIADRO CSc1ccc([C@@H](CNC(=O)NCc2nccc3ccccc32)[NH+](C)C)cc1 ZINC000457833764 822924060 /nfs/dbraw/zinc/92/40/60/822924060.db2.gz SMQJMTHXMPQCBZ-OAQYLSRUSA-N 1 0 394.544 4.059 20 0 GIADRO C[C@@H]([NH2+]Cc1cc(Cl)cc2c1OCC2)c1ccc(N2CCOCC2)c(F)c1 ZINC000186616566 822924080 /nfs/dbraw/zinc/92/40/80/822924080.db2.gz GONGWJJLVIDROB-CQSZACIVSA-N 1 0 390.886 4.101 20 0 GIADRO COCc1cccc(OCC2(C[N@@H+]3CC[C@H](n4cc(Cl)cn4)C3)CCC2)c1 ZINC000569445454 822924396 /nfs/dbraw/zinc/92/43/96/822924396.db2.gz XTWFWAKUHPXZFZ-IBGZPJMESA-N 1 0 389.927 4.179 20 0 GIADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1coc(-c2c(F)cccc2F)n1 ZINC000569447241 822924555 /nfs/dbraw/zinc/92/45/55/822924555.db2.gz LNPVUWFSHXKSHU-UHFFFAOYSA-N 1 0 389.446 4.147 20 0 GIADRO C[NH+](C)CCCCC(=O)N1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC000569447797 822924611 /nfs/dbraw/zinc/92/46/11/822924611.db2.gz NXNFIXVBEXJAAU-GOSISDBHSA-N 1 0 381.358 4.105 20 0 GIADRO O=C([C@H]1CCC[N@H+](Cc2cccnc2)C1)N1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000569449129 822924823 /nfs/dbraw/zinc/92/48/23/822924823.db2.gz WBNWZOSIADXMJO-GOTSBHOMSA-N 1 0 389.543 4.090 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cc1c[nH]c2c1cccc2C ZINC000175290663 822926127 /nfs/dbraw/zinc/92/61/27/822926127.db2.gz PPLFHXFQAACCJL-OAQYLSRUSA-N 1 0 389.543 4.389 20 0 GIADRO C[C@H]1C[C@H](NC(=O)NCCc2c[nH]c3ccccc23)CC[N@@H+]1Cc1ccccc1 ZINC000175291365 822926282 /nfs/dbraw/zinc/92/62/82/822926282.db2.gz HMPGNCSKESVADX-GHTZIAJQSA-N 1 0 390.531 4.063 20 0 GIADRO COc1ccc(NC(=S)NC[C@H](c2ccccc2OC)[NH+]2CCCCC2)cc1 ZINC000054971284 822926291 /nfs/dbraw/zinc/92/62/91/822926291.db2.gz KVQWMVLBFDXSFP-HXUWFJFHSA-N 1 0 399.560 4.217 20 0 GIADRO C[C@@]1(NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C[C@H]1c1ccccc1 ZINC000457871287 822927351 /nfs/dbraw/zinc/92/73/51/822927351.db2.gz BTTVPUQFPWUYBK-JTHBVZDNSA-N 1 0 381.495 4.036 20 0 GIADRO CCn1c(Cc2ccsc2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000569476783 822927644 /nfs/dbraw/zinc/92/76/44/822927644.db2.gz RHNGDUFDAPTTTF-IEBWSBKVSA-N 1 0 387.597 4.041 20 0 GIADRO Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@@H](c2cnn(C)c2)c2ccc(F)cc2)c1C ZINC000186640136 822928042 /nfs/dbraw/zinc/92/80/42/822928042.db2.gz UOTZFCJNKCSUGE-WAIKUNEKSA-N 1 0 394.494 4.272 20 0 GIADRO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000186651450 822929652 /nfs/dbraw/zinc/92/96/52/822929652.db2.gz RJWJNPBOGWGOOI-MWTRTKDXSA-N 1 0 394.494 4.218 20 0 GIADRO CC(C)c1cc(NC(=O)NC2CC([NH+]3CCCCC3)C2)n(Cc2ccccc2)n1 ZINC000569499548 822930131 /nfs/dbraw/zinc/93/01/31/822930131.db2.gz CQWAIQXQSPOWTC-UHFFFAOYSA-N 1 0 395.551 4.193 20 0 GIADRO Cc1ccc(-c2noc(CCC[N@@H+]3CC[C@@]4(C3)OCc3ccccc34)n2)cc1F ZINC000186656035 822930431 /nfs/dbraw/zinc/93/04/31/822930431.db2.gz BAVQMFFQGNCKJU-QHCPKHFHSA-N 1 0 393.462 4.248 20 0 GIADRO c1csc(-c2nn(Cc3ccccc3)cc2C[NH2+]C2CCN(C3CC3)CC2)c1 ZINC000055043156 822933652 /nfs/dbraw/zinc/93/36/52/822933652.db2.gz WEOVVHLLTSFIQX-UHFFFAOYSA-N 1 0 392.572 4.376 20 0 GIADRO COc1ccc(CN(C)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000055047942 822934621 /nfs/dbraw/zinc/93/46/21/822934621.db2.gz WEAJJYRPKYDDNV-UHFFFAOYSA-N 1 0 381.520 4.023 20 0 GIADRO CC[N@H+](CC[S@@](=O)c1cc(Cl)ccc1Cl)[C@@H]1CCOC(C)(C)C1 ZINC000569533869 822936075 /nfs/dbraw/zinc/93/60/75/822936075.db2.gz QNXREFYFNKDJTM-QKFKETGDSA-N 1 0 378.365 4.381 20 0 GIADRO CCCc1c(NC(=O)N2CCCC23CC[NH+](C)CC3)cnn1-c1ccccc1C ZINC000569536075 822936271 /nfs/dbraw/zinc/93/62/71/822936271.db2.gz UFNQBYNVAWAIQJ-UHFFFAOYSA-N 1 0 395.551 4.225 20 0 GIADRO CC(C)OCCOCc1cccc(NC(=O)N[C@@H](C)C[NH+]2CCCCCC2)c1 ZINC000186688954 822937676 /nfs/dbraw/zinc/93/76/76/822937676.db2.gz CIHQQEUPVPFKBN-IBGZPJMESA-N 1 0 391.556 4.014 20 0 GIADRO O=C1N[C@H](c2ccc3ccccc3c2)C(=O)N1C1CC[NH+](Cc2ccccc2)CC1 ZINC000569546425 822938151 /nfs/dbraw/zinc/93/81/51/822938151.db2.gz RDHJWVLTKDLDOX-HSZRJFAPSA-N 1 0 399.494 4.097 20 0 GIADRO C[NH+](C)CCc1ccccc1NS(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000569550543 822938980 /nfs/dbraw/zinc/93/89/80/822938980.db2.gz JHOZNANHKZITMI-UHFFFAOYSA-N 1 0 392.524 4.163 20 0 GIADRO Cn1cccc1[C@H]1CCCCN1C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000175337342 822939093 /nfs/dbraw/zinc/93/90/93/822939093.db2.gz DPICZWJGAWCDLV-JOCHJYFZSA-N 1 0 398.526 4.065 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000457939339 822940829 /nfs/dbraw/zinc/94/08/29/822940829.db2.gz POXUCTKBGMAAGA-WMZOPIPTSA-N 1 0 386.565 4.304 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2OC(C)C)c1 ZINC000055151892 822941181 /nfs/dbraw/zinc/94/11/81/822941181.db2.gz ZBPUUYYIXRHOOW-CVEARBPZSA-N 1 0 383.492 4.110 20 0 GIADRO Cc1cc(-c2nc3cc(F)ccc3s2)ccc1NC(=O)N[C@H]1CCC[NH2+]C1 ZINC000569573978 822941292 /nfs/dbraw/zinc/94/12/92/822941292.db2.gz FJRLEGFYFNXQHD-HNNXBMFYSA-N 1 0 384.480 4.284 20 0 GIADRO C[C@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCCS3(=O)=O)c(F)c2)c2ccccc21 ZINC000186706308 822941290 /nfs/dbraw/zinc/94/12/90/822941290.db2.gz SVTQFDPUOCCDAP-MGPUTAFESA-N 1 0 388.508 4.094 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)Nc2ccc(NC(=O)OC(C)(C)C)cc2)CC1 ZINC000175349980 822941935 /nfs/dbraw/zinc/94/19/35/822941935.db2.gz VMJSZWQAGPKUGC-UHFFFAOYSA-N 1 0 390.528 4.372 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)CC[N@@H+]1C ZINC000175353242 822942678 /nfs/dbraw/zinc/94/26/78/822942678.db2.gz PKEAFLUJHBLHJA-QRWLVFNGSA-N 1 0 398.482 4.024 20 0 GIADRO CC[NH+]1CCC(NC(=O)c2oc3cc(OC)ccc3c2-c2ccccc2)CC1 ZINC000055165854 822942911 /nfs/dbraw/zinc/94/29/11/822942911.db2.gz AGQKWQMNFPWMTM-UHFFFAOYSA-N 1 0 378.472 4.323 20 0 GIADRO C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000569592407 822942882 /nfs/dbraw/zinc/94/28/82/822942882.db2.gz OAMMTHLJZYLKSU-LBPRGKRZSA-N 1 0 397.466 4.446 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)N[C@@H]1CCc2c1cccc2Cl ZINC000457950089 822943024 /nfs/dbraw/zinc/94/30/24/822943024.db2.gz WVAVBJPKSGSOKF-GOSISDBHSA-N 1 0 377.941 4.162 20 0 GIADRO Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NCCC[NH+]1CCCCCC1 ZINC000055173810 822943205 /nfs/dbraw/zinc/94/32/05/822943205.db2.gz JJBUPSUAOSWFML-UHFFFAOYSA-N 1 0 379.570 4.037 20 0 GIADRO COc1cccc(N2CC[C@@H](C[NH2+][C@H](C)c3ccc(OC)c(OC)c3C)C2)c1 ZINC000569600023 822943281 /nfs/dbraw/zinc/94/32/81/822943281.db2.gz WCQFOZNPPAKTOU-MSOLQXFVSA-N 1 0 384.520 4.198 20 0 GIADRO CCOc1cc(CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1OCc1ccccc1 ZINC000569605683 822944100 /nfs/dbraw/zinc/94/41/00/822944100.db2.gz OSQWKAXSJZWDHD-CBQGHPETSA-N 1 0 380.532 4.379 20 0 GIADRO Cc1ccccc1[C@@H](NC(=O)NC1CC[NH+](Cc2ccccn2)CC1)C(C)(C)C ZINC000175359350 822945294 /nfs/dbraw/zinc/94/52/94/822945294.db2.gz QPRNHQRNDZXPGR-JOCHJYFZSA-N 1 0 394.563 4.441 20 0 GIADRO CSc1ccc([C@@H](C[NH2+]Cc2c[nH]nc2-c2cccc(C)c2)N(C)C)cc1 ZINC000569616890 822945524 /nfs/dbraw/zinc/94/55/24/822945524.db2.gz GQMPTKRWQFKZDV-OAQYLSRUSA-N 1 0 380.561 4.500 20 0 GIADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N[C@H](c2c(Cl)cccc2Cl)C2CC2)C1 ZINC000569626427 822946844 /nfs/dbraw/zinc/94/68/44/822946844.db2.gz JLCCKSZUXZMSRM-UGSOOPFHSA-N 1 0 384.351 4.474 20 0 GIADRO COc1ccc(C[N@@H+]2CCCN(C(=O)c3cc(C)n(C(C)C)c3C)CC2)cc1 ZINC000055226808 822946995 /nfs/dbraw/zinc/94/69/95/822946995.db2.gz MZMVBQADTBJGAC-UHFFFAOYSA-N 1 0 383.536 4.043 20 0 GIADRO CC[NH+](CC)CCOc1cc(NC(=O)N2CCC[C@@H]3CCC[C@H]32)ccc1OC ZINC000175363892 822947229 /nfs/dbraw/zinc/94/72/29/822947229.db2.gz QSYNWQNKTLCZAT-PKOBYXMFSA-N 1 0 389.540 4.212 20 0 GIADRO Cc1cc(S(=O)(=O)Nc2cccc(-n3ccnc3)c2)ccc1C(F)(F)F ZINC000569633684 822947887 /nfs/dbraw/zinc/94/78/87/822947887.db2.gz HZXDRQSPHXYGSH-UHFFFAOYSA-N 1 0 381.379 4.000 20 0 GIADRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000175369040 822948752 /nfs/dbraw/zinc/94/87/52/822948752.db2.gz DTHRSESMLMOFAX-AHWVRZQESA-N 1 0 388.555 4.104 20 0 GIADRO CCc1nc(CC(=O)NCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)cs1 ZINC000055281934 822949267 /nfs/dbraw/zinc/94/92/67/822949267.db2.gz NLSLMGXYJUTYBQ-IRXDYDNUSA-N 1 0 385.577 4.042 20 0 GIADRO COc1cc(C)c(NC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cc1F ZINC000186750597 822949571 /nfs/dbraw/zinc/94/95/71/822949571.db2.gz XQEGPNJUWLDHLC-UHFFFAOYSA-N 1 0 385.483 4.237 20 0 GIADRO COC(=O)N1CCC([C@H](C)[NH2+][C@H](C)c2ccc(Br)s2)CC1 ZINC000186758496 822950517 /nfs/dbraw/zinc/95/05/17/822950517.db2.gz LBPABQVJHJIWKF-WDEREUQCSA-N 1 0 375.332 4.028 20 0 GIADRO CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000175376198 822951089 /nfs/dbraw/zinc/95/10/89/822951089.db2.gz BMNNARVBGQYECC-OAQYLSRUSA-N 1 0 399.510 4.152 20 0 GIADRO Cc1cnc([C@H](C)C[NH2+][C@@H]2CCCC[C@H]2S(=O)(=O)c2ccc(C)cc2)s1 ZINC000186762052 822951251 /nfs/dbraw/zinc/95/12/51/822951251.db2.gz KLTOKLKYLJJCNZ-ATZDWAIDSA-N 1 0 392.590 4.238 20 0 GIADRO COC(=O)N1CCC([C@@H](C)[NH2+][C@@H](C)c2sc(-c3cccnc3)nc2C)CC1 ZINC000186766125 822951734 /nfs/dbraw/zinc/95/17/34/822951734.db2.gz VGNKNEOGVXALPH-KGLIPLIRSA-N 1 0 388.537 4.031 20 0 GIADRO Cc1cnc([C@H](C)C[NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)s1 ZINC000186767468 822952087 /nfs/dbraw/zinc/95/20/87/822952087.db2.gz NVFUVPUKGMLYPI-VXGBXAGGSA-N 1 0 396.354 4.324 20 0 GIADRO Cc1cccc(Oc2ncccc2NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1C ZINC000175379602 822952186 /nfs/dbraw/zinc/95/21/86/822952186.db2.gz ALXFXZDIVRFKJO-SJLPKXTDSA-N 1 0 382.508 4.437 20 0 GIADRO CC[C@@H]1[C@@H](C)CCN1C(=O)Nc1ccc(OC)c(OCC[NH+](CC)CC)c1 ZINC000186773470 822953002 /nfs/dbraw/zinc/95/30/02/822953002.db2.gz IUICOUVFKLKBDM-FUHWJXTLSA-N 1 0 377.529 4.068 20 0 GIADRO CCOc1cc(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc(Cl)c1O ZINC000186778742 822954202 /nfs/dbraw/zinc/95/42/02/822954202.db2.gz DYVHYPWYZKPIFC-INIZCTEOSA-N 1 0 394.943 4.173 20 0 GIADRO Cc1cc([C@H](C)NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)c(C)o1 ZINC000458059014 822954358 /nfs/dbraw/zinc/95/43/58/822954358.db2.gz NTHVGSOQXGKXHP-ZDUSSCGKSA-N 1 0 375.435 4.016 20 0 GIADRO COC(=O)c1cc(C[NH2+][C@@H](C)c2ccc(-c3ccccc3OC)cc2)cn1C ZINC000569681206 822954810 /nfs/dbraw/zinc/95/48/10/822954810.db2.gz ULVYVWHAPMRLGX-INIZCTEOSA-N 1 0 378.472 4.338 20 0 GIADRO Cc1ccccc1[C@H](OC[C@@H](O)C[NH2+]C[C@H](C)C(F)(F)F)c1ccccc1 ZINC000569686793 822955409 /nfs/dbraw/zinc/95/54/09/822955409.db2.gz GRDLWLOUTRSWDH-XKGZKEIXSA-N 1 0 381.438 4.250 20 0 GIADRO COc1cc(C[N@H+](C)[C@H](C)c2ccc([S@@](C)=O)cc2)ccc1OC(F)F ZINC000175388450 822955349 /nfs/dbraw/zinc/95/53/49/822955349.db2.gz WXTBALIYOSCEQX-ZBSNKRKSSA-N 1 0 383.460 4.227 20 0 GIADRO O=C(Nc1ccnc(Oc2ccccc2)c1)NC1CC[NH+](C2CCCC2)CC1 ZINC000175388760 822955591 /nfs/dbraw/zinc/95/55/91/822955591.db2.gz PIECPTFKJQCHJH-UHFFFAOYSA-N 1 0 380.492 4.402 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)OCO2)C(=O)Nc1ccccc1C(F)(F)F ZINC000055375306 822955882 /nfs/dbraw/zinc/95/58/82/822955882.db2.gz BPEIAWALHKGLSE-RYUDHWBXSA-N 1 0 380.366 4.112 20 0 GIADRO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccccc2CN2CCc3ccccc32)C1 ZINC000175389856 822956181 /nfs/dbraw/zinc/95/61/81/822956181.db2.gz NPJZMERPTVGZDQ-OAQYLSRUSA-N 1 0 392.547 4.197 20 0 GIADRO Cc1cc(C)c2[nH+]cc(C(=O)[O-])c(N3CC[N@H+](Cc4ccccc4)[C@H](C)C3)c2c1 ZINC000569696917 822956394 /nfs/dbraw/zinc/95/63/94/822956394.db2.gz FNIWYYOMDHWYHG-GOSISDBHSA-N 1 0 389.499 4.261 20 0 GIADRO COC[C@H]1CCCN(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CC1 ZINC000458086625 822956770 /nfs/dbraw/zinc/95/67/70/822956770.db2.gz AZOBJOGKCMOQRO-FQEVSTJZSA-N 1 0 387.568 4.021 20 0 GIADRO Cc1nc(CNC(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)sc1C ZINC000175394581 822957998 /nfs/dbraw/zinc/95/79/98/822957998.db2.gz HCQVUETZOPPOPU-OAHLLOKOSA-N 1 0 386.565 4.134 20 0 GIADRO Cc1ccc(NC(=O)[C@@H](C)[NH2+]C2(Cc3ccc(F)cc3)CCOCC2)c(C)c1 ZINC000569712264 822958120 /nfs/dbraw/zinc/95/81/20/822958120.db2.gz AKWCBXNURXUJEH-GOSISDBHSA-N 1 0 384.495 4.151 20 0 GIADRO Cc1ccc(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1NC(=O)c1ccccc1 ZINC000055407071 822958221 /nfs/dbraw/zinc/95/82/21/822958221.db2.gz IRINSOWFTLAXDK-HKUYNNGSSA-N 1 0 393.531 4.098 20 0 GIADRO C[C@@H](CC(=O)N1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1)C1CC[NH2+]CC1 ZINC000569721369 822958803 /nfs/dbraw/zinc/95/88/03/822958803.db2.gz ONTPIGRQQBDLJN-UWJYYQICSA-N 1 0 380.536 4.156 20 0 GIADRO C[C@H](CC(=O)N1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1)C1CC[NH2+]CC1 ZINC000569721368 822958856 /nfs/dbraw/zinc/95/88/56/822958856.db2.gz ONTPIGRQQBDLJN-UTKZUKDTSA-N 1 0 380.536 4.156 20 0 GIADRO COC(=O)c1cc2cc(C[N@H+](C)[C@@H](C)c3ccc([S@](C)=O)cc3)ccc2o1 ZINC000175398554 822958930 /nfs/dbraw/zinc/95/89/30/822958930.db2.gz LROKOOCNVWDXIQ-PWFNWSNSSA-N 1 0 385.485 4.150 20 0 GIADRO CC(C)Oc1ccc([C@H](CNC(=O)c2cnc3ccsc3c2)[NH+](C)C)cc1 ZINC000569722166 822959036 /nfs/dbraw/zinc/95/90/36/822959036.db2.gz ZKNRQDXIPHBCJN-IBGZPJMESA-N 1 0 383.517 4.116 20 0 GIADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)C2(Cc3cccc(F)c3)CCC2)CC1 ZINC000186811789 822959399 /nfs/dbraw/zinc/95/93/99/822959399.db2.gz SNGDURKNCXSDCS-SFHVURJKSA-N 1 0 395.522 4.275 20 0 GIADRO C[C@H]1C[C@@H](NC(=O)c2ccc(-c3ccc(Br)s3)s2)CC[NH2+]1 ZINC000569723523 822959398 /nfs/dbraw/zinc/95/93/98/822959398.db2.gz LIHOZGPHJJCUJA-UWVGGRQHSA-N 1 0 385.352 4.109 20 0 GIADRO COc1ccccc1C[C@@H](C)N(C)C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000175400562 822959699 /nfs/dbraw/zinc/95/96/99/822959699.db2.gz JDPGXSKCGCQWQU-LJQANCHMSA-N 1 0 397.563 4.308 20 0 GIADRO CCc1cnccc1[C@H](C)[NH2+]CC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C ZINC000569730685 822959948 /nfs/dbraw/zinc/95/99/48/822959948.db2.gz JHWHAHZBUQEBLS-INIZCTEOSA-N 1 0 391.519 4.044 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNc2ccc(S(C)(=O)=O)cc2F)C1 ZINC000569730956 822960000 /nfs/dbraw/zinc/96/00/00/822960000.db2.gz MUJUYLVHBRQEML-MRXNPFEDSA-N 1 0 390.524 4.073 20 0 GIADRO COc1ccc(C[N@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)cc1Br ZINC000175403508 822960435 /nfs/dbraw/zinc/96/04/35/822960435.db2.gz TWDWGTSJABSGBU-NPMABZOXSA-N 1 0 396.350 4.388 20 0 GIADRO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000175406681 822960957 /nfs/dbraw/zinc/96/09/57/822960957.db2.gz CIIOFVTWRVMPOD-JKFGOPGYSA-N 1 0 394.581 4.064 20 0 GIADRO C[C@H](c1nc2ccccc2s1)N(C)C(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000569738801 822961477 /nfs/dbraw/zinc/96/14/77/822961477.db2.gz GMKAWURBISOZEZ-AEFFLSMTSA-N 1 0 379.529 4.338 20 0 GIADRO C[NH+](C)CCOc1cccc(-c2noc(CO[C@@H]3CCCc4ccccc43)n2)c1 ZINC000569739383 822961486 /nfs/dbraw/zinc/96/14/86/822961486.db2.gz OUVSQGJHVADJCV-OAQYLSRUSA-N 1 0 393.487 4.271 20 0 GIADRO Cc1oc(-c2ccccc2)nc1CC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000186827191 822962441 /nfs/dbraw/zinc/96/24/41/822962441.db2.gz WKGKTUPSTPCWMO-UHFFFAOYSA-N 1 0 383.536 4.353 20 0 GIADRO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)C[C@H](O)COc1cccc2ccccc21 ZINC000175414577 822963219 /nfs/dbraw/zinc/96/32/19/822963219.db2.gz CMJMJXOZFMENRN-PSUVCQILSA-N 1 0 397.540 4.010 20 0 GIADRO Cc1ccc(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)cc1NC(=O)Nc1ccccc1 ZINC000458156322 822963402 /nfs/dbraw/zinc/96/34/02/822963402.db2.gz BPSXSGXKMBDJLW-SFHVURJKSA-N 1 0 394.519 4.101 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)c2ccc(Br)cc2Cl)cc1 ZINC000055446244 822963775 /nfs/dbraw/zinc/96/37/75/822963775.db2.gz BFMAELHHTXBNOQ-UHFFFAOYSA-N 1 0 397.700 4.295 20 0 GIADRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)c1cccc(NC(=O)c2ccco2)c1 ZINC000186834618 822963905 /nfs/dbraw/zinc/96/39/05/822963905.db2.gz CWMXMHLZGUGXCA-UHFFFAOYSA-N 1 0 397.519 4.306 20 0 GIADRO CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CCSC2(CCOCC2)C1 ZINC000186840038 822965383 /nfs/dbraw/zinc/96/53/83/822965383.db2.gz OIONNEGOKIYTNQ-SJORKVTESA-N 1 0 376.566 4.125 20 0 GIADRO Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000458178198 822965575 /nfs/dbraw/zinc/96/55/75/822965575.db2.gz WEXMESROPMUIID-GFCCVEGCSA-N 1 0 385.455 4.085 20 0 GIADRO C[C@@]12CCC[N@@H+]1C[C@@H](c1noc(-c3cccc(OC4CCCCC4)c3)n1)OC2 ZINC000569766699 822965780 /nfs/dbraw/zinc/96/57/80/822965780.db2.gz JPETYPRKJWLHMK-UGKGYDQZSA-N 1 0 383.492 4.374 20 0 GIADRO Cc1ccc(-c2nc(CC(=O)N(CC[NH+](C)C)Cc3ccsc3)cs2)cc1 ZINC000458199484 822967910 /nfs/dbraw/zinc/96/79/10/822967910.db2.gz IXNFIZWIMXLSMC-UHFFFAOYSA-N 1 0 399.585 4.313 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)c2cnc(C3CC3)s2)CC1 ZINC000569785808 822968770 /nfs/dbraw/zinc/96/87/70/822968770.db2.gz XZHMXMRKATWJFH-UHFFFAOYSA-N 1 0 391.924 4.399 20 0 GIADRO O=C(Cc1cccc(F)c1F)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000569797457 822970202 /nfs/dbraw/zinc/97/02/02/822970202.db2.gz PNGRPAZBYBELDI-UHFFFAOYSA-N 1 0 384.470 4.022 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)CC1CCC(C(F)(F)F)CC1 ZINC000458222137 822970619 /nfs/dbraw/zinc/97/06/19/822970619.db2.gz KXQOMSKIKVDZNX-UHFFFAOYSA-N 1 0 376.488 4.397 20 0 GIADRO CN1C(=O)CCc2cc(C[N@@H+]3CCC[C@H](c4nc5ccccc5o4)C3)ccc21 ZINC000186876971 822972908 /nfs/dbraw/zinc/97/29/08/822972908.db2.gz MZJGVSNDYQRLJW-SFHVURJKSA-N 1 0 375.472 4.116 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1sc([C@@H](C)OC)nc1C ZINC000175455617 822973435 /nfs/dbraw/zinc/97/34/35/822973435.db2.gz PZKNJJQWTGGUFD-OAHLLOKOSA-N 1 0 391.537 4.132 20 0 GIADRO CC(C)Cc1ccc([C@@H](CNC(=O)[C@@H]2CCC(=O)c3ccccc32)[NH+](C)C)cc1 ZINC000569828394 822973485 /nfs/dbraw/zinc/97/34/85/822973485.db2.gz JVLOBKQQGZIKFT-DHIUTWEWSA-N 1 0 392.543 4.364 20 0 GIADRO CCC[C@@H](Cc1ccccc1)NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458246681 822973553 /nfs/dbraw/zinc/97/35/53/822973553.db2.gz HDPCYVKYFWVLTG-SFHVURJKSA-N 1 0 399.501 4.456 20 0 GIADRO C[C@H](NC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1)c1cncc(F)c1 ZINC000458248004 822973765 /nfs/dbraw/zinc/97/37/65/822973765.db2.gz ICOGSAVNIFVCEO-KRWDZBQOSA-N 1 0 384.499 4.013 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)NCc2cccc3cccnc32)CC[N@@H+]1Cc1ccccc1 ZINC000175461797 822974819 /nfs/dbraw/zinc/97/48/19/822974819.db2.gz QDZSFAPPTXODSP-XMSQKQJNSA-N 1 0 388.515 4.087 20 0 GIADRO O=C(CC[NH2+]Cc1ccc2sccc2c1)Nc1ccc(N2CCCC2=O)cc1 ZINC000569838940 822974812 /nfs/dbraw/zinc/97/48/12/822974812.db2.gz VTSXWKADEOHPDP-UHFFFAOYSA-N 1 0 393.512 4.147 20 0 GIADRO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)N1CC(c2cccc(Cl)c2)C1 ZINC000458267598 822975689 /nfs/dbraw/zinc/97/56/89/822975689.db2.gz PSTLUIVLHPFTCR-IBGZPJMESA-N 1 0 397.950 4.013 20 0 GIADRO Cc1cc(NC(=O)CSCC(=O)c2ccc(Cl)cc2)ccc1C[NH+](C)C ZINC000458269156 822975906 /nfs/dbraw/zinc/97/59/06/822975906.db2.gz HJCCXPGOEHZAAJ-UHFFFAOYSA-N 1 0 390.936 4.265 20 0 GIADRO CC(C)[C@@H]1CCCC[C@@H]1NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458273379 822976622 /nfs/dbraw/zinc/97/66/22/822976622.db2.gz WTWJBZSFBYCZTL-IRXDYDNUSA-N 1 0 377.495 4.259 20 0 GIADRO Cc1ccc([C@H]2[C@H](C)CCC[N@@H+]2CC(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1 ZINC000569857931 822976831 /nfs/dbraw/zinc/97/68/31/822976831.db2.gz LKBNSMFIQVUSRH-WZONZLPQSA-N 1 0 393.531 4.109 20 0 GIADRO Cc1cc(NC(=O)CCn2c3ccccc3nc2C2CC2)ccc1C[NH+](C)C ZINC000458276770 822977215 /nfs/dbraw/zinc/97/72/15/822977215.db2.gz ZSDCYEBTUBSKQX-UHFFFAOYSA-N 1 0 376.504 4.313 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cccc3c2CC(=O)CC3)cc1 ZINC000569859729 822977404 /nfs/dbraw/zinc/97/74/04/822977404.db2.gz IUFLDGIKASWTHI-QGZVFWFLSA-N 1 0 376.500 4.371 20 0 GIADRO CCC[N@H+](C)[C@@H](CNC(=O)c1nc(C2CC2)oc1C)c1ccc(Cl)cc1 ZINC000569874942 822979480 /nfs/dbraw/zinc/97/94/80/822979480.db2.gz DJMBYGGDDVFKES-KRWDZBQOSA-N 1 0 375.900 4.327 20 0 GIADRO CCC[C@@H](C)C[NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1F ZINC000569877403 822979615 /nfs/dbraw/zinc/97/96/15/822979615.db2.gz WBORELUHEPSDSS-JLTOFOAXSA-N 1 0 381.488 4.484 20 0 GIADRO Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000569891615 822981420 /nfs/dbraw/zinc/98/14/20/822981420.db2.gz BCZJHKZRSFNHKI-MRXNPFEDSA-N 1 0 385.556 4.328 20 0 GIADRO Cn1c2ccccc2c(Cl)c1C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000458312812 822982264 /nfs/dbraw/zinc/98/22/64/822982264.db2.gz IPMHEAVPCBAXSK-UHFFFAOYSA-N 1 0 389.858 4.164 20 0 GIADRO O[C@@H](C[NH2+][C@@H]1CCOc2c(Cl)cccc21)Cc1ccc(C(F)(F)F)cc1 ZINC000569897978 822982833 /nfs/dbraw/zinc/98/28/33/822982833.db2.gz SWZVRTHFNNZSFP-RHSMWYFYSA-N 1 0 385.813 4.376 20 0 GIADRO CC(C)NC(=O)Nc1ccc(C[NH2+][C@H](C)c2ccc(Br)cn2)cc1 ZINC000569900341 822983255 /nfs/dbraw/zinc/98/32/55/822983255.db2.gz MCOAGWSGMHCOEH-CYBMUJFWSA-N 1 0 391.313 4.225 20 0 GIADRO CC(C)CC[NH+]1CCC(CNC(=O)N[C@H](c2ccccc2)c2cccnc2)CC1 ZINC000175500100 822984385 /nfs/dbraw/zinc/98/43/85/822984385.db2.gz PVEWYODVAJZIHZ-HSZRJFAPSA-N 1 0 394.563 4.228 20 0 GIADRO Cc1cc(C)n(-c2ccc(C[NH+]3CCC(O)(Cc4cccc(F)c4)CC3)cc2)n1 ZINC000186946898 822984783 /nfs/dbraw/zinc/98/47/83/822984783.db2.gz LCSUIJHYJXMHPR-UHFFFAOYSA-N 1 0 393.506 4.198 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC(=O)Nc1ccc(C)cc1Cl)CC3 ZINC000569922002 822986051 /nfs/dbraw/zinc/98/60/51/822986051.db2.gz DGKPUXUWUFBVMJ-AWEZNQCLSA-N 1 0 397.906 4.224 20 0 GIADRO CN(Cc1ncc(-c2cccc(Br)c2)o1)CC1([NH+](C)C)CCC1 ZINC000186953839 822986148 /nfs/dbraw/zinc/98/61/48/822986148.db2.gz YNTXGJHMMTWNFI-UHFFFAOYSA-N 1 0 378.314 4.020 20 0 GIADRO COCCOc1ccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c(C)c1 ZINC000055606022 822986834 /nfs/dbraw/zinc/98/68/34/822986834.db2.gz YHIAWIBLYIIMMQ-UHFFFAOYSA-N 1 0 382.504 4.258 20 0 GIADRO CC1CC[NH+](CCCCNC(=O)N2CC[C@@H](CSc3ccccc3)C2)CC1 ZINC000175511301 822987346 /nfs/dbraw/zinc/98/73/46/822987346.db2.gz LKOPAYGYFAIGPV-HXUWFJFHSA-N 1 0 389.609 4.322 20 0 GIADRO Cc1cc(NC(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)ccc1Oc1cccnc1 ZINC000569942537 822988071 /nfs/dbraw/zinc/98/80/71/822988071.db2.gz YVPKXQDFDUWEPF-NRFANRHFSA-N 1 0 394.519 4.424 20 0 GIADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N1CC[C@](F)(c2ccccc2)C1 ZINC000569945319 822988620 /nfs/dbraw/zinc/98/86/20/822988620.db2.gz VMZFNSJIQAHRIO-GHTZIAJQSA-N 1 0 387.524 4.165 20 0 GIADRO COC(=O)c1csc([C@@H](C)[NH2+]CCCc2nc(-c3ccc(F)cc3)no2)c1 ZINC000569949528 822989012 /nfs/dbraw/zinc/98/90/12/822989012.db2.gz APWGLMBGQWTTLD-GFCCVEGCSA-N 1 0 389.452 4.007 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[C@H](CSc2ccccc2)C1 ZINC000175524886 822990587 /nfs/dbraw/zinc/99/05/87/822990587.db2.gz FEMJJFNOPYLKOH-UXHICEINSA-N 1 0 389.609 4.465 20 0 GIADRO CCSCc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(OC)cc3)CC2)cc1 ZINC000055641709 822991114 /nfs/dbraw/zinc/99/11/14/822991114.db2.gz MMRXJSDCBSIYIA-UHFFFAOYSA-N 1 0 398.572 4.296 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(OC(F)F)c3cccnc23)[C@H](C)C1 ZINC000186979490 822991311 /nfs/dbraw/zinc/99/13/11/822991311.db2.gz AEAICKAPQAOEJA-CJNGLKHVSA-N 1 0 392.450 4.030 20 0 GIADRO FC(F)(F)c1csc(CC[NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)n1 ZINC000569971038 822991488 /nfs/dbraw/zinc/99/14/88/822991488.db2.gz CDNRNNSTVMJSAK-INIZCTEOSA-N 1 0 395.494 4.491 20 0 GIADRO C[C@@H](NC(=O)N1CCC(OCCC[NH+](C)C)CC1)c1cccc2ccccc21 ZINC000175538438 822993209 /nfs/dbraw/zinc/99/32/09/822993209.db2.gz LBCUBIYNWUQTPN-GOSISDBHSA-N 1 0 383.536 4.043 20 0 GIADRO COc1cc(C[N@@H+]2CC[C@@H](COC(F)F)C2)ccc1OCc1ccc(F)cc1 ZINC000569982889 822993203 /nfs/dbraw/zinc/99/32/03/822993203.db2.gz IOWJZXYYNKPTTI-QGZVFWFLSA-N 1 0 395.421 4.474 20 0 GIADRO Cc1cc2cc(CNC(=O)NC[C@@H](c3cccs3)[NH+]3CCCC3)ccc2[nH]1 ZINC000569997494 822994605 /nfs/dbraw/zinc/99/46/05/822994605.db2.gz HHWTWUBQVKZUQV-IBGZPJMESA-N 1 0 382.533 4.174 20 0 GIADRO COc1ccccc1[C@@H]1CCN(C(=O)N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)C1 ZINC000569998882 822994943 /nfs/dbraw/zinc/99/49/43/822994943.db2.gz IQTQSVZBLZIYCE-YCRNBWNJSA-N 1 0 395.547 4.194 20 0 GIADRO C[C@H]1OCC[C@]1(O)C[N@H+](Cc1cnc(C2CCCC2)s1)Cc1ccccc1 ZINC000570008514 822996170 /nfs/dbraw/zinc/99/61/70/822996170.db2.gz DARBJXUIFGJRSN-VGSWGCGISA-N 1 0 386.561 4.343 20 0 GIADRO C[C@@H]1OCC[C@]1(O)C[N@H+](Cc1cnc(C2CCCC2)s1)Cc1ccccc1 ZINC000570008510 822996324 /nfs/dbraw/zinc/99/63/24/822996324.db2.gz DARBJXUIFGJRSN-JTSKRJEESA-N 1 0 386.561 4.343 20 0 GIADRO CCOCCC[N@@H+]1CC[C@H](NCc2cc(-c3ccc(Cl)cc3)no2)[C@H](C)C1 ZINC000187010663 822997007 /nfs/dbraw/zinc/99/70/07/822997007.db2.gz AYXKQJMHPMYESO-UZLBHIALSA-N 1 0 391.943 4.222 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)Nc2ccccc2N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000055685944 822998791 /nfs/dbraw/zinc/99/87/91/822998791.db2.gz YUSZRGQLPQHNCM-KDURUIRLSA-N 1 0 395.547 4.394 20 0 GIADRO C[C@@H]1CN(C(=O)C[NH2+][C@H](c2ccccc2)c2cccc3ccccc32)C[C@H](C)O1 ZINC000570032044 822999177 /nfs/dbraw/zinc/99/91/77/822999177.db2.gz NQVZWDKJJABAPH-HHJKRLRDSA-N 1 0 388.511 4.155 20 0 GIADRO COc1cccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCCO[C@@H](C(C)C)C2)c1 ZINC000570063116 823001845 /nfs/dbraw/zinc/00/18/45/823001845.db2.gz NVGHPLCYIHOFAO-FGZHOGPDSA-N 1 0 382.504 4.122 20 0 GIADRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]CCCOc2ccc(C)c(C)c2)cc1 ZINC000570063644 823002112 /nfs/dbraw/zinc/00/21/12/823002112.db2.gz XSCSZUJPHDWIKU-SFHVURJKSA-N 1 0 375.534 4.217 20 0 GIADRO C[C@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000175585595 823002460 /nfs/dbraw/zinc/00/24/60/823002460.db2.gz XSWPTTQNRWFIPQ-AWEZNQCLSA-N 1 0 399.457 4.352 20 0 GIADRO COc1ccc2sc(C(=O)N(C)CCC[N@H+](C)Cc3ccncc3)c(C)c2c1 ZINC000570066867 823002541 /nfs/dbraw/zinc/00/25/41/823002541.db2.gz JEAZJLXSDMGOBF-UHFFFAOYSA-N 1 0 397.544 4.207 20 0 GIADRO CCC(CC)c1cc(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)on1 ZINC000175587353 823002744 /nfs/dbraw/zinc/00/27/44/823002744.db2.gz IKDSQVCMEVLEDU-YLJYHZDGSA-N 1 0 398.551 4.431 20 0 GIADRO CC(C)(C)c1cnc(CCC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)o1 ZINC000187046401 823003394 /nfs/dbraw/zinc/00/33/94/823003394.db2.gz UGRUGPNTRRXULQ-UHFFFAOYSA-N 1 0 387.549 4.092 20 0 GIADRO COCc1ccccc1CNC(=O)C[NH2+][C@@H](C)c1ccc(F)c2ccccc21 ZINC000570076639 823003736 /nfs/dbraw/zinc/00/37/36/823003736.db2.gz CAOYKUJUVATDPP-INIZCTEOSA-N 1 0 380.463 4.092 20 0 GIADRO O=C(c1ccc(Oc2ccc(F)cc2F)cc1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000570088595 823004834 /nfs/dbraw/zinc/00/48/34/823004834.db2.gz HLNUMGITMWJQCK-DLBZAZTESA-N 1 0 386.442 4.219 20 0 GIADRO Clc1ccc(Cc2nc(CN3CCC([C@@H]4CCC[NH2+]4)CC3)cs2)cc1 ZINC000570097837 823005523 /nfs/dbraw/zinc/00/55/23/823005523.db2.gz LSMLGKRGRKFJQI-IBGZPJMESA-N 1 0 375.969 4.351 20 0 GIADRO Cc1cc(CNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)ccc1Cl ZINC000187065001 823005834 /nfs/dbraw/zinc/00/58/34/823005834.db2.gz GENJLYNSUBSVLT-UHFFFAOYSA-N 1 0 385.939 4.454 20 0 GIADRO COc1ccc(C2CC[NH+](C[C@H]3CCN(C(=O)c4ccccc4)C3)CC2)cc1 ZINC000570109453 823006440 /nfs/dbraw/zinc/00/64/40/823006440.db2.gz RJGHYJBYLPLPET-LJQANCHMSA-N 1 0 378.516 4.037 20 0 GIADRO CC[C@@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccccc1OC(F)F ZINC000175611957 823006507 /nfs/dbraw/zinc/00/65/07/823006507.db2.gz ZUBWFPIEKIUYGP-GOSISDBHSA-N 1 0 395.494 4.445 20 0 GIADRO O=C(Nc1ccccc1SC1CCCC1)N1CC[NH+](C2CCOCC2)CC1 ZINC000175613669 823006732 /nfs/dbraw/zinc/00/67/32/823006732.db2.gz FENYIEFNYDJYOP-UHFFFAOYSA-N 1 0 389.565 4.050 20 0 GIADRO COc1cc(Br)c(C[NH2+][C@@H](C)CCOCc2ccccc2)cc1O ZINC000570128650 823008384 /nfs/dbraw/zinc/00/83/84/823008384.db2.gz NMVUUCAFKDLVOT-AWEZNQCLSA-N 1 0 394.309 4.248 20 0 GIADRO C[C@@H]([NH2+][C@H](c1cc2ccccc2o1)c1ccccc1)C1CCS(=O)(=O)CC1 ZINC000187085610 823008580 /nfs/dbraw/zinc/00/85/80/823008580.db2.gz UZEUHAQBHXRRLU-ZHRRBRCNSA-N 1 0 383.513 4.325 20 0 GIADRO COc1cccc([C@H](C[NH2+]Cc2cc(-c3ccncc3)ccc2OC)N(C)C)c1 ZINC000187089743 823009277 /nfs/dbraw/zinc/00/92/77/823009277.db2.gz FVPZEHWHJVPVKC-QHCPKHFHSA-N 1 0 391.515 4.158 20 0 GIADRO COc1cc(F)c(NC(=O)NC(C)(C)CC[NH+]2CCCCCC2)cc1OC ZINC000187093547 823009688 /nfs/dbraw/zinc/00/96/88/823009688.db2.gz CSGUDDKDLRNXBM-UHFFFAOYSA-N 1 0 381.492 4.009 20 0 GIADRO COc1ccc(CN(C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1C ZINC000175631086 823009829 /nfs/dbraw/zinc/00/98/29/823009829.db2.gz BGZYPGRGGHYOSQ-KNQAVFIVSA-N 1 0 395.547 4.198 20 0 GIADRO COC(=O)c1cccc(C[NH+]2CCC(c3cccc(Br)c3)CC2)n1 ZINC000570150843 823010707 /nfs/dbraw/zinc/01/07/07/823010707.db2.gz BJGPSCQNEGDVQR-UHFFFAOYSA-N 1 0 389.293 4.010 20 0 GIADRO COc1ccc(Br)c(C[NH2+][C@@H]2CCC[C@@H](c3ccnn3C)C2)c1 ZINC000570154538 823011068 /nfs/dbraw/zinc/01/10/68/823011068.db2.gz DCKJDZAPSCTOPQ-UKRRQHHQSA-N 1 0 378.314 4.007 20 0 GIADRO Cc1ccccc1[C@H](OC[C@@H](O)C[NH2+][C@@H]1CCOC2(CCC2)C1)c1ccccc1 ZINC000570155643 823011113 /nfs/dbraw/zinc/01/11/13/823011113.db2.gz ONYUIAJVJWJDDI-AOHZBQACSA-N 1 0 395.543 4.153 20 0 GIADRO Cc1ccccc1[C@H](OC[C@H](O)C[NH2+][C@@H]1CCOC2(CCC2)C1)c1ccccc1 ZINC000570155644 823011129 /nfs/dbraw/zinc/01/11/29/823011129.db2.gz ONYUIAJVJWJDDI-CQOQZXRMSA-N 1 0 395.543 4.153 20 0 GIADRO C[C@@H]([NH2+][C@@H](c1ccccc1)c1cccc(Cl)c1)C1CCS(=O)(=O)CC1 ZINC000187108519 823011562 /nfs/dbraw/zinc/01/15/62/823011562.db2.gz VGCQJIHWHYABHN-QRWLVFNGSA-N 1 0 377.937 4.232 20 0 GIADRO C[C@@H]([NH2+][C@H](c1ccccc1)c1cccc(Cl)c1)C1CCS(=O)(=O)CC1 ZINC000187108551 823011565 /nfs/dbraw/zinc/01/15/65/823011565.db2.gz VGCQJIHWHYABHN-FOIQADDNSA-N 1 0 377.937 4.232 20 0 GIADRO Cc1ccc([C@H](CN[C@H](C)c2ncc(Br)cc2F)[NH+](C)C)cc1 ZINC000187109977 823011676 /nfs/dbraw/zinc/01/16/76/823011676.db2.gz WPQJTFSJIXRRFW-DYVFJYSZSA-N 1 0 380.305 4.245 20 0 GIADRO CC[C@H](c1ccncc1)N(C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000175642341 823011671 /nfs/dbraw/zinc/01/16/71/823011671.db2.gz YHKWOZMPBIYVPJ-STZQEDGTSA-N 1 0 380.536 4.227 20 0 GIADRO CSCc1cnc(C[NH2+]C[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)s1 ZINC000570184313 823013207 /nfs/dbraw/zinc/01/32/07/823013207.db2.gz VOQJRYBLOMSATA-HNNXBMFYSA-N 1 0 389.512 4.417 20 0 GIADRO O=C(Nc1ccc2c(c1)C[NH2+]C2)N[C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000570184605 823013254 /nfs/dbraw/zinc/01/32/54/823013254.db2.gz NOPUTOGEMLBUAB-GOSISDBHSA-N 1 0 391.393 4.461 20 0 GIADRO CCOC(=O)[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC000570190942 823013661 /nfs/dbraw/zinc/01/36/61/823013661.db2.gz XVWZPDQHIQYBJJ-CVDCTZTESA-N 1 0 380.532 4.313 20 0 GIADRO CCCC(=O)Nc1ccc(C[NH2+]Cc2cccc(Br)c2OC)cc1 ZINC000187126870 823014705 /nfs/dbraw/zinc/01/47/05/823014705.db2.gz LNQLEJYKLOMCQL-UHFFFAOYSA-N 1 0 391.309 4.486 20 0 GIADRO O=C(N[C@@H]1CCC[C@@H](c2nc3ccccc3[nH]2)C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000570216376 823015939 /nfs/dbraw/zinc/01/59/39/823015939.db2.gz PYCOSVSAWHGRPT-CBGDNZLLSA-N 1 0 380.536 4.112 20 0 GIADRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1c(F)c(F)cc(F)c1F ZINC000175666543 823016026 /nfs/dbraw/zinc/01/60/26/823016026.db2.gz TYJLTLRCWBNDOK-UHFFFAOYSA-N 1 0 398.425 4.353 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(NCc3ccc4c(c3)CCC(=O)N4C)cc2)C1 ZINC000187147554 823017508 /nfs/dbraw/zinc/01/75/08/823017508.db2.gz IHHFRIWLAIORHO-GOSISDBHSA-N 1 0 377.532 4.440 20 0 GIADRO COC[C@H]([NH2+][C@@H](C)c1cc(OC)c(OC)c(OC)c1)c1cccc(Cl)c1 ZINC000570241483 823017949 /nfs/dbraw/zinc/01/79/49/823017949.db2.gz IBEMRNCNRBKNDB-GUYCJALGSA-N 1 0 379.884 4.404 20 0 GIADRO NC(=O)c1ccc(C[NH2+][C@@H]2CCCc3c4cc(Br)ccc4[nH]c32)cc1 ZINC000570242158 823018087 /nfs/dbraw/zinc/01/80/87/823018087.db2.gz VUBMBFNWDKBHFX-GOSISDBHSA-N 1 0 398.304 4.197 20 0 GIADRO COC(=O)c1cccc(C[N@@H+]2CCC[C@H](c3nc4ccccc4n3C(C)C)C2)n1 ZINC000570242305 823018184 /nfs/dbraw/zinc/01/81/84/823018184.db2.gz HQFLLXCGRNLBIU-KRWDZBQOSA-N 1 0 392.503 4.178 20 0 GIADRO CC1CC[NH+](Cc2ccc(-c3noc(Cc4ccc5n[nH]cc5c4)n3)cc2)CC1 ZINC000570243242 823018342 /nfs/dbraw/zinc/01/83/42/823018342.db2.gz AGQCZXVRCDMDKS-UHFFFAOYSA-N 1 0 387.487 4.436 20 0 GIADRO CCC[C@]1(CO)CC[N@H+](Cc2ccc(OCc3ccc(F)cc3)c(OC)c2)C1 ZINC000570248673 823019142 /nfs/dbraw/zinc/01/91/42/823019142.db2.gz ORALHRBBLFCBHG-QHCPKHFHSA-N 1 0 387.495 4.398 20 0 GIADRO COc1ncccc1CC[NH2+][C@@H](C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000570250312 823019203 /nfs/dbraw/zinc/01/92/03/823019203.db2.gz DKCCXAOCCFIORZ-LPHOPBHVSA-N 1 0 388.483 4.071 20 0 GIADRO CCCc1cccc(C[NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000187162937 823019499 /nfs/dbraw/zinc/01/94/99/823019499.db2.gz WPTXIOKUHFXEPC-KDURUIRLSA-N 1 0 380.532 4.178 20 0 GIADRO C[C@H](NC(=O)CSc1ccc(C(F)(F)F)cn1)[C@H](c1ccccc1)[NH+](C)C ZINC000187167912 823020015 /nfs/dbraw/zinc/02/00/15/823020015.db2.gz JUKKYFNZIWDRSJ-SCLBCKFNSA-N 1 0 397.466 4.000 20 0 GIADRO Cc1c([C@H](C)[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)cnn1-c1ccc(F)cc1 ZINC000187169720 823020199 /nfs/dbraw/zinc/02/01/99/823020199.db2.gz JRNGLOOCEXEJFB-HNNXBMFYSA-N 1 0 392.478 4.080 20 0 GIADRO Cc1nn(-c2ccccn2)c(C)c1C[NH+]1CCC(Oc2ccc(F)cc2F)CC1 ZINC000570262675 823020646 /nfs/dbraw/zinc/02/06/46/823020646.db2.gz HFHVFRJHDOIEKI-UHFFFAOYSA-N 1 0 398.457 4.206 20 0 GIADRO C[C@@H](NC(=O)c1cc(F)c(F)cc1Br)[C@@H](c1ccccc1)[NH+](C)C ZINC000187177323 823021046 /nfs/dbraw/zinc/02/10/46/823021046.db2.gz ICCYGATZQIEXPD-DIFFPNOSSA-N 1 0 397.263 4.149 20 0 GIADRO Cc1ccc(NC(=O)N[C@H](C)C[NH+]2CCCCCC2)cc1NC(=O)C(C)(C)C ZINC000187177354 823021297 /nfs/dbraw/zinc/02/12/97/823021297.db2.gz ABXFUFUFKRODPJ-QGZVFWFLSA-N 1 0 388.556 4.366 20 0 GIADRO C[C@H](CCC[NH3+])NC(=O)c1sc2cccc(F)c2c1COc1ccccc1 ZINC000570279119 823021934 /nfs/dbraw/zinc/02/19/34/823021934.db2.gz FUXROODFPGKIGQ-CQSZACIVSA-N 1 0 386.492 4.477 20 0 GIADRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ccc(OC)cc1C(F)(F)F ZINC000570284893 823022285 /nfs/dbraw/zinc/02/22/85/823022285.db2.gz MQIIXLLPPHXYNS-CQSZACIVSA-N 1 0 387.446 4.490 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)[C@H]3CC[C@H](C(F)(F)F)C3)C2)s1 ZINC000570286418 823022410 /nfs/dbraw/zinc/02/24/10/823022410.db2.gz SYSDYDIKRJTWQR-PMPSAXMXSA-N 1 0 388.499 4.315 20 0 GIADRO Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000187186928 823022478 /nfs/dbraw/zinc/02/24/78/823022478.db2.gz QHWJFTHXDUNCMP-QGZVFWFLSA-N 1 0 388.556 4.366 20 0 GIADRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H](CCC(=O)OC)c2ccccc2)c2ccccc21 ZINC000570286475 823022516 /nfs/dbraw/zinc/02/25/16/823022516.db2.gz UZJQUIGQDVYXPF-BHIFYINESA-N 1 0 395.499 4.452 20 0 GIADRO CC(C)(C)OCc1cccc(CNC(=O)NC2CC[NH+](C3CCCC3)CC2)c1 ZINC000175714139 823025799 /nfs/dbraw/zinc/02/57/99/823025799.db2.gz JXSOOIBGVCHEAA-UHFFFAOYSA-N 1 0 387.568 4.208 20 0 GIADRO Cc1ccc(Br)c(C(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000187218313 823026551 /nfs/dbraw/zinc/02/65/51/823026551.db2.gz HXECHXDIRLSRAZ-KDOFPFPSSA-N 1 0 375.310 4.179 20 0 GIADRO C[C@H]([NH2+]CCCSc1nccs1)c1ncc(Br)cc1F ZINC000187222846 823027068 /nfs/dbraw/zinc/02/70/68/823027068.db2.gz IPCFIJHNMFSARE-VIFPVBQESA-N 1 0 376.320 4.273 20 0 GIADRO COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@@H](CO)c2cccc(Br)c2)cc1 ZINC000570349838 823027798 /nfs/dbraw/zinc/02/77/98/823027798.db2.gz XTLVGVMFSPIRPM-HAEOHBJNSA-N 1 0 390.321 4.273 20 0 GIADRO C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)N3CC[C@H]([NH+]4CC=CC4)C3)c2)C1 ZINC000175732644 823028585 /nfs/dbraw/zinc/02/85/85/823028585.db2.gz SMGKNTCDXCNTEM-COPCDDAFSA-N 1 0 383.536 4.260 20 0 GIADRO O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CCO[C@@H](CCc2ccccc2)C1 ZINC000570366925 823029887 /nfs/dbraw/zinc/02/98/87/823029887.db2.gz AAJYIRIXBAAMIU-DEOSSOPVSA-N 1 0 392.543 4.146 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH2+]C[C@H](O)c1cccc(OC(C)C)c1 ZINC000187247847 823030285 /nfs/dbraw/zinc/03/02/85/823030285.db2.gz PQOSVUSXFATJBG-QHCPKHFHSA-N 1 0 392.499 4.368 20 0 GIADRO COc1ccc(-c2ccncc2)cc1CNc1ccc(OCC[NH+](C)C)cc1 ZINC000187249602 823030553 /nfs/dbraw/zinc/03/05/53/823030553.db2.gz VFRJFLHQZURKCL-UHFFFAOYSA-N 1 0 377.488 4.310 20 0 GIADRO COc1c(Br)cccc1CNc1ccc(OCC[NH+](C)C)cc1 ZINC000187249631 823030557 /nfs/dbraw/zinc/03/05/57/823030557.db2.gz NYALAAYXOVHCIF-UHFFFAOYSA-N 1 0 379.298 4.010 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc(C2=CCCC2)cc1 ZINC000570372218 823030828 /nfs/dbraw/zinc/03/08/28/823030828.db2.gz YYWWQBFRBVASGH-UHFFFAOYSA-N 1 0 390.527 4.141 20 0 GIADRO O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000570380270 823031740 /nfs/dbraw/zinc/03/17/40/823031740.db2.gz PKZRNBKVDXYQRZ-ZWKOTPCHSA-N 1 0 390.487 4.348 20 0 GIADRO CCCCc1oc2ccccc2c1CN(C)C(=O)[C@@]1([NH3+])C[C@H](OCC)C1(C)C ZINC000187260970 823032254 /nfs/dbraw/zinc/03/22/54/823032254.db2.gz OJVFHJXVCACEHW-REWPJTCUSA-N 1 0 386.536 4.266 20 0 GIADRO Cc1ccc(-c2cnc(CCC(=O)N[C@H](C)[C@H](c3ccccc3)[NH+](C)C)o2)cc1 ZINC000187261906 823032401 /nfs/dbraw/zinc/03/24/01/823032401.db2.gz PUTDNXBBRWVILP-HOYKHHGWSA-N 1 0 391.515 4.390 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH2+][C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000187261570 823032451 /nfs/dbraw/zinc/03/24/51/823032451.db2.gz JGSVRIMIYJYYCF-HXUWFJFHSA-N 1 0 397.519 4.150 20 0 GIADRO C[C@H](NC(=O)CCCc1nc2ccccc2s1)[C@H](c1ccccc1)[NH+](C)C ZINC000187263501 823032797 /nfs/dbraw/zinc/03/27/97/823032797.db2.gz WWOSKAVNUWHJFP-KSFYIVLOSA-N 1 0 381.545 4.427 20 0 GIADRO Cc1ccccc1[C@@H](CC(C)C)NC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000175759654 823033170 /nfs/dbraw/zinc/03/31/70/823033170.db2.gz RGUOEVVIDBIZTJ-JOCHJYFZSA-N 1 0 389.584 4.225 20 0 GIADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCc2ccccc2COCc2ccccc2)C1 ZINC000175762665 823034085 /nfs/dbraw/zinc/03/40/85/823034085.db2.gz QAULPJCYASTUPT-PKTZIBPZSA-N 1 0 395.547 4.075 20 0 GIADRO COc1c(Br)cccc1C[NH2+]CCc1nc(C(F)(F)F)cs1 ZINC000187272598 823034667 /nfs/dbraw/zinc/03/46/67/823034667.db2.gz KBBNMCFBPODOHW-UHFFFAOYSA-N 1 0 395.244 4.265 20 0 GIADRO CN1C(=O)CCc2cc(C[NH2+]Cc3cc(Cl)ccc3OC(F)F)ccc21 ZINC000187275899 823035262 /nfs/dbraw/zinc/03/52/62/823035262.db2.gz WFCSDGPFWCRTGD-UHFFFAOYSA-N 1 0 380.822 4.140 20 0 GIADRO CC(C)[NH+]1CCC(NC(=O)C2(c3cc(C(F)(F)F)ccc3Cl)CC2)CC1 ZINC000187276952 823035593 /nfs/dbraw/zinc/03/55/93/823035593.db2.gz XOUQTMADAMODQL-UHFFFAOYSA-N 1 0 388.861 4.379 20 0 GIADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc(Oc2ccccc2F)nc1 ZINC000570421955 823035755 /nfs/dbraw/zinc/03/57/55/823035755.db2.gz ZVEFKJDGEAMHTR-YJBOKZPZSA-N 1 0 384.455 4.104 20 0 GIADRO Cc1ccc(C[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)c(OCC(F)(F)F)c1 ZINC000187290553 823037577 /nfs/dbraw/zinc/03/75/77/823037577.db2.gz OMOBVBUEDLOKFR-UHFFFAOYSA-N 1 0 392.421 4.135 20 0 GIADRO COc1cc([C@@H](C)[NH2+]Cc2ccc(-n3ccnc3)nc2)ccc1OCC(C)C ZINC000175777458 823037961 /nfs/dbraw/zinc/03/79/61/823037961.db2.gz XIEXMNIMYPMCJV-QGZVFWFLSA-N 1 0 380.492 4.162 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH2+]C[C@]1(C)OCCc2sccc21 ZINC000570438349 823038632 /nfs/dbraw/zinc/03/86/32/823038632.db2.gz BTYITDLKNAGPOQ-QFIPXVFZSA-N 1 0 380.513 4.396 20 0 GIADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CCCc1ncc(-c2ccccc2)o1 ZINC000055758637 823038734 /nfs/dbraw/zinc/03/87/34/823038734.db2.gz CKJHUJXHIBDYQB-CEXWTWQISA-N 1 0 383.536 4.147 20 0 GIADRO C[C@H](O)C[C@H](C[NH2+][C@@H](C)c1ncc(Br)cc1F)c1ccccc1 ZINC000187302598 823039783 /nfs/dbraw/zinc/03/97/83/823039783.db2.gz LYMSCUVKZBUIHB-KCQAQPDRSA-N 1 0 381.289 4.189 20 0 GIADRO COc1ccncc1C[N@@H+]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000570459324 823040707 /nfs/dbraw/zinc/04/07/07/823040707.db2.gz HKTBLWWYMHJFDN-HNNXBMFYSA-N 1 0 384.867 4.173 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCC[C@]3(CCSC3)C2)[C@H]1c1cccs1 ZINC000458443057 823040919 /nfs/dbraw/zinc/04/09/19/823040919.db2.gz WTGREBMEJJFEOJ-KPFFTGBYSA-N 1 0 393.622 4.060 20 0 GIADRO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2cccc(C(=O)Nc3ccccc3)c2C)C1 ZINC000175794486 823041929 /nfs/dbraw/zinc/04/19/29/823041929.db2.gz JAUNBNLDZSFGKX-IBGZPJMESA-N 1 0 394.519 4.195 20 0 GIADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1c(F)cccc1Br ZINC000175797023 823042507 /nfs/dbraw/zinc/04/25/07/823042507.db2.gz FHTVYWRHKJUWBD-CQSZACIVSA-N 1 0 397.313 4.217 20 0 GIADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000175805976 823044600 /nfs/dbraw/zinc/04/46/00/823044600.db2.gz NVYPJJFIGJNTMA-OAQYLSRUSA-N 1 0 399.560 4.106 20 0 GIADRO C[C@@H](c1ccccc1)[N@H+](C)CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000060558944 823542215 /nfs/dbraw/zinc/54/22/15/823542215.db2.gz COFLXBYSBKPXGA-RXVVDRJESA-N 1 0 394.515 4.204 20 0 GIADRO O=C(c1c2c(nc3ccccc31)CCC2)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000060559735 823542340 /nfs/dbraw/zinc/54/23/40/823542340.db2.gz ICSFQFPZJSKJAS-UHFFFAOYSA-N 1 0 391.559 4.452 20 0 GIADRO CCc1nc2c(s1)[C@H]([N@H+](C)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)CCC2 ZINC000177895023 823542863 /nfs/dbraw/zinc/54/28/63/823542863.db2.gz GQLDOBLITLJOEV-GOEBONIOSA-N 1 0 379.570 4.272 20 0 GIADRO C[N@@H+]1CC[C@@H](CNC(=O)Cc2cc(F)ccc2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123817405 823542913 /nfs/dbraw/zinc/54/29/13/823542913.db2.gz RMTKSSAQLPHVQM-RBZFPXEDSA-N 1 0 396.840 4.109 20 0 GIADRO C[C@H]1CC[C@H]([NH2+]Cc2ccc(S(=O)(=O)N3CCCC3)cc2)c2ccccc21 ZINC000177896550 823543290 /nfs/dbraw/zinc/54/32/90/823543290.db2.gz YIOWVGBPLUCATQ-JTSKRJEESA-N 1 0 384.545 4.199 20 0 GIADRO C[N@@H+]1CCCN(c2ccc(NC(=O)c3cc(C(F)(F)F)ccc3F)cc2)CC1 ZINC000177901746 823543795 /nfs/dbraw/zinc/54/37/95/823543795.db2.gz WQJJPFQMSYCKCA-UHFFFAOYSA-N 1 0 395.400 4.239 20 0 GIADRO COc1cccc(C[C@H]([NH2+]Cc2cccnc2-n2cccn2)c2ccccc2)c1 ZINC000177903518 823544243 /nfs/dbraw/zinc/54/42/43/823544243.db2.gz VTTOCIXDADOFMV-QHCPKHFHSA-N 1 0 384.483 4.350 20 0 GIADRO C[N@@H+]1CC[C@H](CNC(=O)c2ccc3ncccc3c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123839417 823544620 /nfs/dbraw/zinc/54/46/20/823544620.db2.gz MMQUKOLPVCBHKD-UTKZUKDTSA-N 1 0 397.881 4.450 20 0 GIADRO CN(Cc1ccc(OC(F)F)cc1)C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000060580728 823544602 /nfs/dbraw/zinc/54/46/02/823544602.db2.gz NQIGFANDDWIYRQ-IBGZPJMESA-N 1 0 388.458 4.159 20 0 GIADRO O=C(NCc1cc2ccccc2[nH]1)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000060585522 823544933 /nfs/dbraw/zinc/54/49/33/823544933.db2.gz ZWKCHPOAIXIIJR-OAQYLSRUSA-N 1 0 396.922 4.458 20 0 GIADRO COC1CCC(CC(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000123853464 823545827 /nfs/dbraw/zinc/54/58/27/823545827.db2.gz AZQJNDRYYBUVBS-PEGVVKOVSA-N 1 0 396.934 4.183 20 0 GIADRO O=C(CCc1cncc(F)c1)N(CCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000411102134 823546156 /nfs/dbraw/zinc/54/61/56/823546156.db2.gz NNOOQYFILWFZAD-UHFFFAOYSA-N 1 0 389.902 4.326 20 0 GIADRO Cc1cnc(CCCC(=O)N(CCC[NH+]2CCCC2)c2ccc(Cl)cc2)o1 ZINC000411101737 823546179 /nfs/dbraw/zinc/54/61/79/823546179.db2.gz LZLOICSXRJYGAQ-UHFFFAOYSA-N 1 0 389.927 4.478 20 0 GIADRO CCc1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000177920264 823546284 /nfs/dbraw/zinc/54/62/84/823546284.db2.gz UYIOLKREQUUIGK-CEXWTWQISA-N 1 0 380.532 4.349 20 0 GIADRO CC(C)C[C@H]([NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccccn1 ZINC000177920083 823546341 /nfs/dbraw/zinc/54/63/41/823546341.db2.gz LHBGQKVLJXFVIQ-YYDVJCTNSA-N 1 0 395.547 4.208 20 0 GIADRO C[N@@H+]1CC[C@@H](CNC(=O)Cc2c[nH]c3ccccc23)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123856565 823546539 /nfs/dbraw/zinc/54/65/39/823546539.db2.gz IWQSGUZWEZHZEX-NYHFZMIOSA-N 1 0 399.897 4.312 20 0 GIADRO C[C@H](C(=O)N(CCC[NH+]1CCCC1)c1ccc(Cl)cc1)C1CCOCC1 ZINC000411104159 823546794 /nfs/dbraw/zinc/54/67/94/823546794.db2.gz SBIOZYOWNZRRFZ-KRWDZBQOSA-N 1 0 378.944 4.222 20 0 GIADRO C[C@H]([NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccc2c(c1)OCCCO2 ZINC000177938099 823548491 /nfs/dbraw/zinc/54/84/91/823548491.db2.gz UHCKFMGCCWUVEV-WNSKOXEYSA-N 1 0 381.472 4.421 20 0 GIADRO Cc1ccc(Br)cc1C(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000460949653 823549024 /nfs/dbraw/zinc/54/90/24/823549024.db2.gz NGEICTSBWFPKIR-INMHGKMJSA-N 1 0 379.342 4.235 20 0 GIADRO CCOc1cc(C[NH2+]CCc2nc3cc(F)ccc3n2C)cc(Cl)c1OC ZINC000123895059 823549683 /nfs/dbraw/zinc/54/96/83/823549683.db2.gz QEALQOZDVSOICA-UHFFFAOYSA-N 1 0 391.874 4.105 20 0 GIADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ncoc1-c1ccccc1Cl ZINC000460956031 823550152 /nfs/dbraw/zinc/55/01/52/823550152.db2.gz GKKWQEKNIITOCA-ZNMIVQPWSA-N 1 0 375.900 4.091 20 0 GIADRO COCc1ccccc1C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000123905376 823550552 /nfs/dbraw/zinc/55/05/52/823550552.db2.gz ZUTJGVGEPBSJMC-QRWLVFNGSA-N 1 0 390.886 4.048 20 0 GIADRO C[C@H]([NH2+]C[C@H]1Cc2ccccc2O1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000123905269 823550563 /nfs/dbraw/zinc/55/05/63/823550563.db2.gz VQJSMMRGALFWBB-QFBILLFUSA-N 1 0 385.529 4.057 20 0 GIADRO 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 823551501 /nfs/dbraw/zinc/55/15/01/823551501.db2.gz XAUXTBOGASHYAI-ZIFCJYIRSA-N 1 0 387.568 4.076 20 0 GIADRO CC(C)Oc1cccc(CN(C)C(=O)NC2CC[NH+](CC3CCCC3)CC2)c1 ZINC000123922217 823551856 /nfs/dbraw/zinc/55/18/56/823551856.db2.gz OAYIYZHTVKNJRK-UHFFFAOYSA-N 1 0 387.568 4.270 20 0 GIADRO COc1ccc(-c2n[nH]cc2C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)cc1 ZINC000123925482 823552217 /nfs/dbraw/zinc/55/22/17/823552217.db2.gz PQOQQOQKEYKTOV-UHFFFAOYSA-N 1 0 387.487 4.341 20 0 GIADRO CCN(Cc1ccc(C[NH+]2CCCCC2)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000411153893 823552252 /nfs/dbraw/zinc/55/22/52/823552252.db2.gz CUDFXPBOEDEBTD-UHFFFAOYSA-N 1 0 390.531 4.343 20 0 GIADRO C[N@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)CC1CCC2(CC1)OCCO2 ZINC000190225959 823552692 /nfs/dbraw/zinc/55/26/92/823552692.db2.gz NVGAQLCTTQFZIO-UHFFFAOYSA-N 1 0 387.499 4.014 20 0 GIADRO O[C@@H](c1ccc(Cl)cc1)C1CC[NH+](CC2CCC3(CC2)OCCO3)CC1 ZINC000190225877 823552700 /nfs/dbraw/zinc/55/27/00/823552700.db2.gz CVLDQSHPHHFEEW-FQEVSTJZSA-N 1 0 379.928 4.019 20 0 GIADRO CCCCCn1cc(C(=O)NCC2(SC)CC[NH+](C)CC2)c2ccccc21 ZINC000460970623 823553166 /nfs/dbraw/zinc/55/31/66/823553166.db2.gz DEDKAVQVCZXEFG-UHFFFAOYSA-N 1 0 387.593 4.389 20 0 GIADRO CC(C)CC(=O)Nc1ccc(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc1F ZINC000460971266 823553308 /nfs/dbraw/zinc/55/33/08/823553308.db2.gz SZRNPMNVWOJBJB-INIZCTEOSA-N 1 0 391.531 4.051 20 0 GIADRO CSC1(CNC(=O)c2ccccc2N(C)c2ccccc2)CC[NH+](C)CC1 ZINC000460972836 823553472 /nfs/dbraw/zinc/55/34/72/823553472.db2.gz ZMHSHVZPEMZNCJ-UHFFFAOYSA-N 1 0 383.561 4.012 20 0 GIADRO CCSc1cc(Cl)ccc1C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000460975691 823554163 /nfs/dbraw/zinc/55/41/63/823554163.db2.gz BNKZLPVINJUSET-UHFFFAOYSA-N 1 0 392.952 4.322 20 0 GIADRO Cc1cc([C@@H]2CCC[N@@H+]2CCC(=O)N[C@H](c2cccs2)c2ccccc2)on1 ZINC000411172459 823554240 /nfs/dbraw/zinc/55/42/40/823554240.db2.gz LWLOFYXOSSWPLE-AVRDEDQJSA-N 1 0 395.528 4.477 20 0 GIADRO COc1ccc(C(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c(C)c1 ZINC000123948296 823554318 /nfs/dbraw/zinc/55/43/18/823554318.db2.gz CCUQFRLYWORWSN-MGPUTAFESA-N 1 0 390.886 4.219 20 0 GIADRO COc1ccc(C(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c(F)c1 ZINC000123957529 823555224 /nfs/dbraw/zinc/55/52/24/823555224.db2.gz CFSKHLPJJVXMEB-YJYMSZOUSA-N 1 0 394.849 4.050 20 0 GIADRO O=C(c1cccc(C[NH+]2CCCCC2)c1)N1CC=C(c2ccc(O)cc2)CC1 ZINC000411193198 823555977 /nfs/dbraw/zinc/55/59/77/823555977.db2.gz DXTTZQIZCGVBLM-UHFFFAOYSA-N 1 0 376.500 4.308 20 0 GIADRO CC1(C)C[C@H](C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c2ccccc2O1 ZINC000411196470 823556336 /nfs/dbraw/zinc/55/63/36/823556336.db2.gz UNFMBDPCFBSYTD-NRFANRHFSA-N 1 0 378.516 4.112 20 0 GIADRO O=C(C[C@H](c1ccc(O)cc1)C1CC1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000411202102 823556875 /nfs/dbraw/zinc/55/68/75/823556875.db2.gz UUHSRXPKJNHTPN-QHCPKHFHSA-N 1 0 378.516 4.010 20 0 GIADRO Cc1nc(Cl)ccc1C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123976640 823557247 /nfs/dbraw/zinc/55/72/47/823557247.db2.gz CQAAUWUKYCDWQZ-FZKQIMNGSA-N 1 0 396.293 4.259 20 0 GIADRO FC(F)(F)c1cccc([C@H]2C[N@H+](CC3CCC4(CC3)OCCO4)CCO2)c1 ZINC000190262814 823557569 /nfs/dbraw/zinc/55/75/69/823557569.db2.gz PDHAMXVZSRZJMB-GOSISDBHSA-N 1 0 385.426 4.012 20 0 GIADRO FC(F)(F)c1cccc([C@@H]2C[N@H+](CC3CCC4(CC3)OCCO4)CCO2)c1 ZINC000190262798 823557617 /nfs/dbraw/zinc/55/76/17/823557617.db2.gz PDHAMXVZSRZJMB-SFHVURJKSA-N 1 0 385.426 4.012 20 0 GIADRO C[N@H+](CCC(=O)N[C@H](c1cccs1)c1ccccc1)[C@H](CO)c1ccccc1 ZINC000411217611 823557905 /nfs/dbraw/zinc/55/79/05/823557905.db2.gz ANXHFEBRAAOGKR-OFNKIYASSA-N 1 0 394.540 4.009 20 0 GIADRO Cc1cc(C(=O)NC2CC[NH+](Cc3ccc(-c4ncco4)cc3F)CC2)c(C)o1 ZINC000411219045 823558135 /nfs/dbraw/zinc/55/81/35/823558135.db2.gz PJTWUYKBQAAAPY-UHFFFAOYSA-N 1 0 397.450 4.085 20 0 GIADRO C[C@@H](C[S@@](C)=O)[NH2+]Cc1ccc(Oc2cccc(Br)c2)cc1 ZINC000190272269 823558170 /nfs/dbraw/zinc/55/81/70/823558170.db2.gz OMICDOLZBWSSJR-WHEQGISXSA-N 1 0 382.323 4.098 20 0 GIADRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H]2CCCc3c(O)cccc32)CC1 ZINC000190275085 823558546 /nfs/dbraw/zinc/55/85/46/823558546.db2.gz SVRLVNUTBCHVGX-QHCPKHFHSA-N 1 0 392.543 4.183 20 0 GIADRO C[C@H]1[C@@H](C(=O)N2CCC([N@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)C1(F)F ZINC000461012212 823558974 /nfs/dbraw/zinc/55/89/74/823558974.db2.gz KQNNSAQYKZFHKJ-LRDDRELGSA-N 1 0 390.396 4.029 20 0 GIADRO Cc1ccc(-c2nnc(N3C[C@@H]([NH+]4CCCC4)C[C@@H]3C)n2Cc2cccs2)o1 ZINC000461013312 823559117 /nfs/dbraw/zinc/55/91/17/823559117.db2.gz FJHRZBLHJFPBPI-RDJZCZTQSA-N 1 0 397.548 4.019 20 0 GIADRO COc1ccc(C[NH2+]C[C@@H](c2ccco2)N2CCCCC2)cc1OC(F)F ZINC000060818791 823559699 /nfs/dbraw/zinc/55/96/99/823559699.db2.gz BNVUJDQQXMVGFF-INIZCTEOSA-N 1 0 380.435 4.206 20 0 GIADRO Cc1cccc(NC(=O)C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)c1 ZINC000124011587 823560001 /nfs/dbraw/zinc/56/00/01/823560001.db2.gz KWFGNJRECPBAED-UHFFFAOYSA-N 1 0 393.531 4.014 20 0 GIADRO C[NH+](C)Cc1cccc(C(=O)NCCc2ccc(NC(=O)OC(C)(C)C)cc2)c1 ZINC000124021762 823560664 /nfs/dbraw/zinc/56/06/64/823560664.db2.gz NKKUMDHRBDCUBM-UHFFFAOYSA-N 1 0 397.519 4.068 20 0 GIADRO Cc1ccc(C[NH2+]Cc2ccc(OCC(F)F)cc2)c(-n2cc(Cl)cn2)n1 ZINC000190306965 823561046 /nfs/dbraw/zinc/56/10/46/823561046.db2.gz VTEBCTHJCBNFGX-UHFFFAOYSA-N 1 0 392.837 4.163 20 0 GIADRO Cc1csc([C@H](NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C2CC2)n1 ZINC000461025674 823561103 /nfs/dbraw/zinc/56/11/03/823561103.db2.gz FLOVNBGNFOOMSH-IEBWSBKVSA-N 1 0 387.524 4.070 20 0 GIADRO COc1ccccc1CC[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000060833709 823561198 /nfs/dbraw/zinc/56/11/98/823561198.db2.gz BSTYJVQJPKFDCG-UHFFFAOYSA-N 1 0 386.236 4.391 20 0 GIADRO Cc1csc([C@H](NC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C2CC2)n1 ZINC000461026048 823561268 /nfs/dbraw/zinc/56/12/68/823561268.db2.gz FLOVNBGNFOOMSH-PKOBYXMFSA-N 1 0 387.524 4.070 20 0 GIADRO CCc1nc(C)c([C@@H](C)[N@H+](C)C[C@@H](O)COc2ccc(SC)cc2)s1 ZINC000411285784 823562400 /nfs/dbraw/zinc/56/24/00/823562400.db2.gz SQRWABCQJHRPDZ-HUUCEWRRSA-N 1 0 380.579 4.169 20 0 GIADRO O=C(N[C@@H]1c2ccccc2CC12CCOCC2)c1ccc(C[NH+]2CCCC2)cc1 ZINC000461034614 823562806 /nfs/dbraw/zinc/56/28/06/823562806.db2.gz PLMFAEIHUBGHAK-HSZRJFAPSA-N 1 0 390.527 4.106 20 0 GIADRO Cc1ccc(-n2ncc(C(=O)N[C@H](C)C[N@H+](C)C(C)C)c2C2CC2)cc1Cl ZINC000461034815 823562854 /nfs/dbraw/zinc/56/28/54/823562854.db2.gz WQTQSZCVHUWWET-OAHLLOKOSA-N 1 0 388.943 4.170 20 0 GIADRO COc1ccc([C@H](C)[NH2+]Cc2cc(Br)c(OC)c(OC)c2)cc1 ZINC000124047193 823562916 /nfs/dbraw/zinc/56/29/16/823562916.db2.gz FZRFMNMCIBTGDN-LBPRGKRZSA-N 1 0 380.282 4.326 20 0 GIADRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)c2cncnc2C2CC2)cc1 ZINC000411294007 823562879 /nfs/dbraw/zinc/56/28/79/823562879.db2.gz PBWHPGNMVLMOOH-UHFFFAOYSA-N 1 0 386.499 4.013 20 0 GIADRO Fc1ccc(-n2ccc(C[NH2+][C@@H](C[C@H]3CCOC3)c3ccccc3)n2)c(F)c1 ZINC000190325916 823563014 /nfs/dbraw/zinc/56/30/14/823563014.db2.gz DQJOUYVTOAORKI-IERDGZPVSA-N 1 0 383.442 4.408 20 0 GIADRO C[C@@H](C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1)c1ccc(F)c(F)c1 ZINC000461038013 823563237 /nfs/dbraw/zinc/56/32/37/823563237.db2.gz MJSGMHRBBQBPPK-GFCCVEGCSA-N 1 0 382.838 4.301 20 0 GIADRO Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000461039750 823563668 /nfs/dbraw/zinc/56/36/68/823563668.db2.gz ZAXFFMWQFWVABM-LLVKDONJSA-N 1 0 384.307 4.415 20 0 GIADRO COc1cc(NC(=O)CC[NH2+]C2(c3ccccc3)CCC2)c(OC)cc1Cl ZINC000411330396 823564788 /nfs/dbraw/zinc/56/47/88/823564788.db2.gz VCMDDYUJBSPRRW-UHFFFAOYSA-N 1 0 388.895 4.355 20 0 GIADRO COc1ccccc1NC(=O)C1CC[NH+](Cc2cnc3ccc(C)cc3c2)CC1 ZINC000411332136 823564865 /nfs/dbraw/zinc/56/48/65/823564865.db2.gz AQMSXBUMBKTMTP-UHFFFAOYSA-N 1 0 389.499 4.403 20 0 GIADRO Cn1c2ccccc2nc1[C@@H]([NH2+]CC1CCC2(CC1)OCCO2)c1ccccc1 ZINC000190342568 823564841 /nfs/dbraw/zinc/56/48/41/823564841.db2.gz WZYCVZWRIXURSM-QFIPXVFZSA-N 1 0 391.515 4.186 20 0 GIADRO O=C(NC[C@H]1CCC[N@@H+](Cc2ccc(-c3ncco3)cc2F)C1)c1ccccc1 ZINC000411338935 823565239 /nfs/dbraw/zinc/56/52/39/823565239.db2.gz XUAGYGVFEBUOGP-QGZVFWFLSA-N 1 0 393.462 4.123 20 0 GIADRO C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1cccc(F)c1 ZINC000461048274 823565395 /nfs/dbraw/zinc/56/53/95/823565395.db2.gz VFJSGKGSNXXGAY-IFXJQAMLSA-N 1 0 394.412 4.339 20 0 GIADRO COc1ccc(C[NH2+]C[C@@](C)(O)c2ccsc2)cc1OCc1ccccc1 ZINC000124084508 823566195 /nfs/dbraw/zinc/56/61/95/823566195.db2.gz ZGEDPVIWGWVYBR-JOCHJYFZSA-N 1 0 383.513 4.333 20 0 GIADRO Cc1csc(C(C)(C)[NH2+]CCC(=O)Nc2cccc(Br)c2)n1 ZINC000411372529 823567052 /nfs/dbraw/zinc/56/70/52/823567052.db2.gz DKNJAZRUJBHXGA-UHFFFAOYSA-N 1 0 382.327 4.068 20 0 GIADRO C[C@H]1CC(C)(C)C[C@@](CO)([NH2+]CCC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000411375821 823567293 /nfs/dbraw/zinc/56/72/93/823567293.db2.gz RQPUHDZPPRBSCL-LIRRHRJNSA-N 1 0 386.458 4.201 20 0 GIADRO COc1ccc(NC(=O)CC[NH2+][C@H](c2ncccc2C)C(C)C)cc1Cl ZINC000411377522 823567518 /nfs/dbraw/zinc/56/75/18/823567518.db2.gz MFVDGKSRZJFVAO-IBGZPJMESA-N 1 0 375.900 4.368 20 0 GIADRO CCOc1ccc(NC(=O)NCc2ccccc2C[N@H+](C)C(C)C)cc1OC ZINC000124105023 823568029 /nfs/dbraw/zinc/56/80/29/823568029.db2.gz ZCEPBYCFEUPVEB-UHFFFAOYSA-N 1 0 385.508 4.256 20 0 GIADRO C[C@@H](Nc1ccc([NH+]2CCCCCC2)cc1)C(=O)NCCc1ccc(F)cc1 ZINC000060943148 823568244 /nfs/dbraw/zinc/56/82/44/823568244.db2.gz VBBJUQMRIHBRCS-GOSISDBHSA-N 1 0 383.511 4.365 20 0 GIADRO Cc1cc(S(=O)(=O)N(c2ccccc2)C2CC[NH+](C)CC2)c(Cl)cc1F ZINC000190384629 823568303 /nfs/dbraw/zinc/56/83/03/823568303.db2.gz KRFZWVFKKIKNPG-UHFFFAOYSA-N 1 0 396.915 4.077 20 0 GIADRO CC1CCC([N@H+](C)CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)CC1 ZINC000060942506 823568337 /nfs/dbraw/zinc/56/83/37/823568337.db2.gz HLXFLLNDSMOXNY-UUKMXZOPSA-N 1 0 386.536 4.022 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@@H](c1ncccc1C)C(C)C ZINC000411384924 823568366 /nfs/dbraw/zinc/56/83/66/823568366.db2.gz WGNHSGQJVUDTSB-LJQANCHMSA-N 1 0 375.900 4.368 20 0 GIADRO C[C@](O)(C[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1)c1ccsc1 ZINC000124112092 823568671 /nfs/dbraw/zinc/56/86/71/823568671.db2.gz LJYDNRUUOPVQQD-FQEVSTJZSA-N 1 0 388.920 4.373 20 0 GIADRO Fc1cc(C[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)ccc1OC(F)F ZINC000124118038 823569070 /nfs/dbraw/zinc/56/90/70/823569070.db2.gz ITPKEVZUPUJGQO-HNNXBMFYSA-N 1 0 394.441 4.125 20 0 GIADRO CC(C)c1c(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cnn1-c1ccc(Cl)cc1 ZINC000124143766 823571462 /nfs/dbraw/zinc/57/14/62/823571462.db2.gz HMTLLFYHXSKVEC-MAUKXSAKSA-N 1 0 388.943 4.204 20 0 GIADRO CC[C@@H](c1ccncc1)[N@H+](C)CCC(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000411417131 823571631 /nfs/dbraw/zinc/57/16/31/823571631.db2.gz DVSLSANFJKCAII-NRFANRHFSA-N 1 0 391.519 4.296 20 0 GIADRO C[C@H](c1ccncc1)[N@H+](C)CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000411417964 823571848 /nfs/dbraw/zinc/57/18/48/823571848.db2.gz JFZBCRDQBUGIHN-VGSWGCGISA-N 1 0 379.529 4.432 20 0 GIADRO C[C@@H](c1ccccn1)[N@H+](C)CCc1nc2sc3c(c2c(N)n1)CC[C@H](C)C3 ZINC000411420303 823572126 /nfs/dbraw/zinc/57/21/26/823572126.db2.gz LMYLEJQVKQXTRW-KBPBESRZSA-N 1 0 381.549 4.029 20 0 GIADRO O=S1(=O)CCCN1c1ccc(C[NH2+][C@@H]2CCCc3c(Cl)cccc32)cc1 ZINC000461080278 823572152 /nfs/dbraw/zinc/57/21/52/823572152.db2.gz ITOLBBSQZFUEJH-HXUWFJFHSA-N 1 0 390.936 4.047 20 0 GIADRO O=C(C[C@H](Cc1ccccc1)c1ccccc1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000461080731 823572311 /nfs/dbraw/zinc/57/23/11/823572311.db2.gz DBHLJDRICRVEDW-ZEQRLZLVSA-N 1 0 376.544 4.490 20 0 GIADRO C[C@@H]1CN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000411423727 823572485 /nfs/dbraw/zinc/57/24/85/823572485.db2.gz YLQZAIMASBEDDV-VEXUSMLFSA-N 1 0 397.994 4.387 20 0 GIADRO C[C@@H](CC(C)(C)c1ccccc1)[NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1 ZINC000461081113 823572487 /nfs/dbraw/zinc/57/24/87/823572487.db2.gz LOPYUSPLOKEZSI-SFHVURJKSA-N 1 0 386.561 4.073 20 0 GIADRO Cc1c(C[N@H+](C)Cc2cccc(C(F)(F)F)c2)c(=O)n(-c2ccccc2)n1C ZINC000124154016 823572539 /nfs/dbraw/zinc/57/25/39/823572539.db2.gz VAGVIGWMQIIYHX-UHFFFAOYSA-N 1 0 389.421 4.135 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCN(c2c(F)cccc2F)C1=O)c1ccc(OC(F)F)cc1 ZINC000124155066 823572556 /nfs/dbraw/zinc/57/25/56/823572556.db2.gz AVDMANSZAFHIHA-BDJLRTHQSA-N 1 0 382.357 4.022 20 0 GIADRO COCc1cccc(CNC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)c1 ZINC000061011763 823572617 /nfs/dbraw/zinc/57/26/17/823572617.db2.gz TYMYYSDHPVHTPG-UHFFFAOYSA-N 1 0 395.547 4.208 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)N1CCc2ccccc2C1 ZINC000061011841 823572745 /nfs/dbraw/zinc/57/27/45/823572745.db2.gz BLEJQIRGNXUFOU-UHFFFAOYSA-N 1 0 377.532 4.331 20 0 GIADRO O=S1(=O)CCCN1c1ccc(C[NH2+][C@@H]2CCC[C@H]2CCc2ccccc2)cc1 ZINC000461082563 823572749 /nfs/dbraw/zinc/57/27/49/823572749.db2.gz ICFLUXXGQIFJJH-JTHBVZDNSA-N 1 0 398.572 4.118 20 0 GIADRO CN(C)C(=O)[C@H]([NH2+][C@H]1C[C@H](c2ccc(Br)cc2)C1)c1ccccc1 ZINC000461082812 823572887 /nfs/dbraw/zinc/57/28/87/823572887.db2.gz FCOUOBIAZCRINE-BHIYHBOVSA-N 1 0 387.321 4.114 20 0 GIADRO CCC(CC)(C[NH2+]C1CCN(c2ccccn2)CC1)c1ccc(OC)c(OC)c1 ZINC000461084093 823573041 /nfs/dbraw/zinc/57/30/41/823573041.db2.gz RWOZPEGEZJYDDH-UHFFFAOYSA-N 1 0 397.563 4.415 20 0 GIADRO COc1cc(C[NH2+]Cc2cc(Br)ccc2F)ccc1OC(F)F ZINC000061016260 823573119 /nfs/dbraw/zinc/57/31/19/823573119.db2.gz APANWWNJXWCUNG-UHFFFAOYSA-N 1 0 390.199 4.488 20 0 GIADRO C[C@@H](c1cccnc1)[N@H+](C)CCc1nc2sc3c(c2c(N)n1)CC[C@@H](C)C3 ZINC000411431064 823573402 /nfs/dbraw/zinc/57/34/02/823573402.db2.gz ZEJCZOZRKUDGGW-KGLIPLIRSA-N 1 0 381.549 4.029 20 0 GIADRO C[C@H](c1cccnc1)[N@H+](C)CCc1nc2sc3c(c2c(N)n1)CC[C@@H](C)C3 ZINC000411431068 823573406 /nfs/dbraw/zinc/57/34/06/823573406.db2.gz ZEJCZOZRKUDGGW-ZIAGYGMSSA-N 1 0 381.549 4.029 20 0 GIADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCOc3ccc(Br)cc32)C[C@H]1C ZINC000461085030 823573487 /nfs/dbraw/zinc/57/34/87/823573487.db2.gz GXJNOQUKYTUQHO-DUFGSWQCSA-N 1 0 396.325 4.230 20 0 GIADRO Cc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1 ZINC000461085734 823573621 /nfs/dbraw/zinc/57/36/21/823573621.db2.gz IPGAUUXGHDJQRI-JOCHJYFZSA-N 1 0 386.561 4.412 20 0 GIADRO Cc1nn(C(F)F)c(C)c1CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000124167522 823573845 /nfs/dbraw/zinc/57/38/45/823573845.db2.gz YOQMIOQJVQZIDI-AWEZNQCLSA-N 1 0 390.478 4.308 20 0 GIADRO CCc1ccc(-c2nn(-c3ccccc3C)cc2C[NH2+]CC(=O)NC(C)C)cc1 ZINC000061027600 823574067 /nfs/dbraw/zinc/57/40/67/823574067.db2.gz IYVHLYRMBKSKFY-UHFFFAOYSA-N 1 0 390.531 4.024 20 0 GIADRO CC[C@@H](Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1)c1cccc(Cl)c1F ZINC000461087686 823574268 /nfs/dbraw/zinc/57/42/68/823574268.db2.gz LKQHLQVJEWDGOU-RTBURBONSA-N 1 0 389.902 4.492 20 0 GIADRO CC[NH+](CC)CCN(C(=O)c1cncc(C)c1)c1cccc(C(F)(F)F)c1 ZINC000461087949 823574467 /nfs/dbraw/zinc/57/44/67/823574467.db2.gz NSXKWONOECWQHU-UHFFFAOYSA-N 1 0 379.426 4.397 20 0 GIADRO O=C(NCCc1ccc(Cl)cc1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000061036810 823574816 /nfs/dbraw/zinc/57/48/16/823574816.db2.gz ZMYUPBYMDHOVEM-UHFFFAOYSA-N 1 0 391.968 4.155 20 0 GIADRO CC[C@@H](C)c1ccccc1OCC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000124177717 823574894 /nfs/dbraw/zinc/57/48/94/823574894.db2.gz SENYIFACLQEILA-GOSISDBHSA-N 1 0 384.520 4.295 20 0 GIADRO C[C@@H]([NH2+]CCC(=O)NCc1ccccc1Cl)c1ccc(NC(=O)C2CC2)cc1 ZINC000411446063 823574979 /nfs/dbraw/zinc/57/49/79/823574979.db2.gz HYVCKQLMNPMEOA-OAHLLOKOSA-N 1 0 399.922 4.046 20 0 GIADRO COc1cccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)c1OC(C)C ZINC000124178292 823575018 /nfs/dbraw/zinc/57/50/18/823575018.db2.gz SNSPSZGIRVFROG-IBGZPJMESA-N 1 0 398.551 4.180 20 0 GIADRO Cc1cc(C2CC[NH+](CCC(=O)Nc3cc(Cl)ccc3Cl)CC2)[nH]n1 ZINC000411446690 823575232 /nfs/dbraw/zinc/57/52/32/823575232.db2.gz PQCIVTFUSJAEKB-UHFFFAOYSA-N 1 0 381.307 4.233 20 0 GIADRO CC(C)[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)o1)c1cccc(C(F)(F)F)c1 ZINC000411446204 823575238 /nfs/dbraw/zinc/57/52/38/823575238.db2.gz AEHFQOMBOSWCRX-MRXNPFEDSA-N 1 0 375.412 4.189 20 0 GIADRO CC[NH2+]Cc1ccccc1NC(=O)[C@H](C)Oc1ccc(C)cc1Br ZINC000124184598 823575446 /nfs/dbraw/zinc/57/54/46/823575446.db2.gz CBLJGMDBAJPBLC-AWEZNQCLSA-N 1 0 391.309 4.273 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)N(CCO)Cc1ccccc1)C1CCCCC1 ZINC000124196752 823576506 /nfs/dbraw/zinc/57/65/06/823576506.db2.gz QGJIPJNIYBWNLU-UHFFFAOYSA-N 1 0 395.547 4.478 20 0 GIADRO COc1ccc(OC)c(CNCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000061070929 823576973 /nfs/dbraw/zinc/57/69/73/823576973.db2.gz GKJZCYMYXZWBCO-OALUTQOASA-N 1 0 382.548 4.472 20 0 GIADRO O=C(CC[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1)N1CCc2ccccc21 ZINC000411458482 823576989 /nfs/dbraw/zinc/57/69/89/823576989.db2.gz OOGZBAADAZCKPQ-KRWDZBQOSA-N 1 0 380.385 4.388 20 0 GIADRO O=C(CC[NH2+][C@@H](c1ccccc1)[C@H]1CCOC1)Nc1ccccc1C(F)(F)F ZINC000411457974 823577067 /nfs/dbraw/zinc/57/70/67/823577067.db2.gz IKSVBOUPJLYNKR-JXFKEZNVSA-N 1 0 392.421 4.401 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccnn2C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000190459178 823577421 /nfs/dbraw/zinc/57/74/21/823577421.db2.gz ZEKLIXDJHNEHBA-HKUYNNGSSA-N 1 0 383.540 4.155 20 0 GIADRO CSc1ccc(OC[C@H](O)C[NH2+][C@H](CC(F)(F)F)c2ccccc2)cc1 ZINC000411461256 823577407 /nfs/dbraw/zinc/57/74/07/823577407.db2.gz SPMFWEZKEYPSIY-CRAIPNDOSA-N 1 0 385.451 4.432 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)Nc2cccc(C(F)(F)F)n2)CC1 ZINC000124210052 823577622 /nfs/dbraw/zinc/57/76/22/823577622.db2.gz HDWDHLLLQKINKH-UHFFFAOYSA-N 1 0 392.425 4.229 20 0 GIADRO C[NH+](C)C1CCN(C(=O)C2(c3cccc(C(F)(F)F)c3)CCCCC2)CC1 ZINC000461103159 823578075 /nfs/dbraw/zinc/57/80/75/823578075.db2.gz XXAMHFBEEIMGDJ-UHFFFAOYSA-N 1 0 382.470 4.460 20 0 GIADRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1C(F)(F)F)c1ccc2c(c1)OCO2 ZINC000411465771 823578119 /nfs/dbraw/zinc/57/81/19/823578119.db2.gz XNQIBPYTEWLWQT-LBPRGKRZSA-N 1 0 380.366 4.114 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@H]2CCc3ccccc3NC2=O)cc1Br ZINC000411466084 823578161 /nfs/dbraw/zinc/57/81/61/823578161.db2.gz YHSCGZCPPFSXAM-SJCJKPOMSA-N 1 0 389.293 4.062 20 0 GIADRO CO[C@@]1(C[NH2+][C@@H](c2ccc(Br)cc2)c2ccccc2F)CCOC1 ZINC000461104991 823578214 /nfs/dbraw/zinc/57/82/14/823578214.db2.gz YMRQUDHERUYZQM-RBUKOAKNSA-N 1 0 394.284 4.073 20 0 GIADRO C[C@@H]([NH2+][C@H](CCO)C1CCOCC1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000461105271 823578437 /nfs/dbraw/zinc/57/84/37/823578437.db2.gz XLBYNYIPRQPHKP-UZUQRXQVSA-N 1 0 387.495 4.233 20 0 GIADRO COC[C@@H]([NH2+]CCC(=O)Nc1cc(Cl)ccc1Cl)c1ccc(F)cc1 ZINC000411470552 823578561 /nfs/dbraw/zinc/57/85/61/823578561.db2.gz CJYOWUXHIGMYJJ-QGZVFWFLSA-N 1 0 385.266 4.438 20 0 GIADRO CC[C@@H](C)[C@H](C)[NH2+]CCC(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1 ZINC000411468714 823578585 /nfs/dbraw/zinc/57/85/85/823578585.db2.gz JACLNDZVVQRNEQ-SJORKVTESA-N 1 0 397.519 4.300 20 0 GIADRO C[S@@](=O)C[C@H]([NH2+]Cc1cc(Cl)cc(Br)c1)c1ccccc1 ZINC000411475055 823579051 /nfs/dbraw/zinc/57/90/51/823579051.db2.gz RWHRVFVFDLZNDD-HRAATJIYSA-N 1 0 386.742 4.312 20 0 GIADRO C[S@@](=O)C[C@@H]([NH2+]Cc1cc(Cl)cc(Br)c1)c1ccccc1 ZINC000411475060 823579133 /nfs/dbraw/zinc/57/91/33/823579133.db2.gz RWHRVFVFDLZNDD-IIBYNOLFSA-N 1 0 386.742 4.312 20 0 GIADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)Cc2csc(-c3cccc(C)c3)n2)o1 ZINC000124231672 823579639 /nfs/dbraw/zinc/57/96/39/823579639.db2.gz SEBGEVZJQABSNU-UHFFFAOYSA-N 1 0 397.544 4.153 20 0 GIADRO CC[C@H]([NH2+]CC(=O)Nc1ccc(C)cc1Br)c1ccc(OC)cc1 ZINC000124234535 823579772 /nfs/dbraw/zinc/57/97/72/823579772.db2.gz DYHSUYOOHSJHTR-KRWDZBQOSA-N 1 0 391.309 4.446 20 0 GIADRO CSc1ccccc1NC(=O)CC[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000411484287 823580193 /nfs/dbraw/zinc/58/01/93/823580193.db2.gz DPLFATGGMDEMMC-JOCHJYFZSA-N 1 0 398.528 4.249 20 0 GIADRO CCOc1ccc(NC(=O)CC[NH2+][C@@H](C)c2ccc(-n3ccnc3C)cc2)cc1 ZINC000411482404 823580299 /nfs/dbraw/zinc/58/02/99/823580299.db2.gz ZFJJNOVJSBPIMF-KRWDZBQOSA-N 1 0 392.503 4.259 20 0 GIADRO CN(c1ccccc1)C1CCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411489739 823580756 /nfs/dbraw/zinc/58/07/56/823580756.db2.gz KWMKUSMXMVCDJT-UHFFFAOYSA-N 1 0 391.559 4.414 20 0 GIADRO O=C(CC[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)Nc1ccccc1Cl ZINC000411490606 823580932 /nfs/dbraw/zinc/58/09/32/823580932.db2.gz ONJFBSFWZYOSOZ-OAQYLSRUSA-N 1 0 386.879 4.181 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1cccc(OC(F)F)c1)Cc1ccccc1 ZINC000061164518 823581829 /nfs/dbraw/zinc/58/18/29/823581829.db2.gz QHYULOOAQOMVCT-GOSISDBHSA-N 1 0 391.462 4.363 20 0 GIADRO CCC[C@@H](NCc1ccc(C[NH+]2CCCCC2)cc1)c1nnc2ccccn21 ZINC000411511034 823582659 /nfs/dbraw/zinc/58/26/59/823582659.db2.gz HVUOGMXWZRVMDZ-OAQYLSRUSA-N 1 0 377.536 4.346 20 0 GIADRO CC[C@H]([NH2+]CCC(=O)Nc1ccc(Br)cc1)c1nc(C)cs1 ZINC000411513159 823583064 /nfs/dbraw/zinc/58/30/64/823583064.db2.gz OFMRXCUOZGNYTR-AWEZNQCLSA-N 1 0 382.327 4.284 20 0 GIADRO C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]C[C@@H]1CCN(CC(F)(F)F)C1 ZINC000124277653 823583311 /nfs/dbraw/zinc/58/33/11/823583311.db2.gz KBPHNDQAGWMHDN-HIFRSBDPSA-N 1 0 380.401 4.083 20 0 GIADRO Cc1cc([C@@H](C)[NH2+]CCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)c(C)o1 ZINC000411518270 823583749 /nfs/dbraw/zinc/58/37/49/823583749.db2.gz IAEBLXQHZROIEN-OAHLLOKOSA-N 1 0 380.492 4.378 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000190537235 823584191 /nfs/dbraw/zinc/58/41/91/823584191.db2.gz WHJKDIKTJCPZHS-UHFFFAOYSA-N 1 0 399.560 4.081 20 0 GIADRO Cc1cc([C@H](C)[NH2+]CCC(=O)Nc2ccc(Br)cc2F)c(C)o1 ZINC000411521906 823584263 /nfs/dbraw/zinc/58/42/63/823584263.db2.gz VCNXRACAZDUBIO-NSHDSACASA-N 1 0 383.261 4.477 20 0 GIADRO O=C(/C=C/c1cc(C(F)(F)F)ccc1Cl)N1CCN(c2cc[nH+]cc2)CC1 ZINC000061210461 823584755 /nfs/dbraw/zinc/58/47/55/823584755.db2.gz ASYMFATZXPVJBH-DAFODLJHSA-N 1 0 395.812 4.116 20 0 GIADRO COc1ccc2oc(C[NH2+]CC3(c4ccc5c(c4)OCO5)CCOCC3)cc2c1 ZINC000124300238 823585274 /nfs/dbraw/zinc/58/52/74/823585274.db2.gz XCKTWIVMJFGNKV-UHFFFAOYSA-N 1 0 395.455 4.008 20 0 GIADRO COc1ccc(NC(=O)CC[NH2+][C@@H](C)c2cn(C(C)(C)C)nc2C)cc1Cl ZINC000411541180 823586685 /nfs/dbraw/zinc/58/66/85/823586685.db2.gz HINCPPBHHQNANK-ZDUSSCGKSA-N 1 0 392.931 4.288 20 0 GIADRO C[C@H](c1nccs1)N1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411550011 823587631 /nfs/dbraw/zinc/58/76/31/823587631.db2.gz IYVRJDWIXPOMFR-LJQANCHMSA-N 1 0 384.593 4.008 20 0 GIADRO O=c1nc(C[NH2+][C@H]2CCCC[C@H]2n2cccn2)[nH]c2scc(-c3ccco3)c21 ZINC000411553243 823587818 /nfs/dbraw/zinc/58/78/18/823587818.db2.gz CLJJHHJYCYVUFH-LSDHHAIUSA-N 1 0 395.488 4.127 20 0 GIADRO COc1ccc([C@@H](O)C[NH2+][C@@H](c2ccc(Br)s2)C2CC2)cc1 ZINC000190578146 823587901 /nfs/dbraw/zinc/58/79/01/823587901.db2.gz LVHFWSYMXPUCRF-WMLDXEAASA-N 1 0 382.323 4.294 20 0 GIADRO CCS[C@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1ccccc1Br ZINC000411559547 823587934 /nfs/dbraw/zinc/58/79/34/823587934.db2.gz IGPZJKHDBATQPW-CVEARBPZSA-N 1 0 385.371 4.432 20 0 GIADRO CCS[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1ccccc1Br ZINC000411559549 823587969 /nfs/dbraw/zinc/58/79/69/823587969.db2.gz IGPZJKHDBATQPW-HZPDHXFCSA-N 1 0 385.371 4.432 20 0 GIADRO CC(C)C[C@H]1OCCC[C@@H]1[NH2+]Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000411561692 823588166 /nfs/dbraw/zinc/58/81/66/823588166.db2.gz RAOAATVRTGIVLF-GOEBONIOSA-N 1 0 387.505 4.340 20 0 GIADRO O=C(CC[NH2+][C@H]1CCCC[C@@H]1n1cccn1)Nc1ccccc1C(F)(F)F ZINC000411562089 823588446 /nfs/dbraw/zinc/58/84/46/823588446.db2.gz RTTIJONDVGHLJN-IRXDYDNUSA-N 1 0 380.414 4.004 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)NCC(C)(C)c2ccc(C(F)(F)F)cc2)CC[N@@H+]1C ZINC000190583936 823588431 /nfs/dbraw/zinc/58/84/31/823588431.db2.gz RRBOEKHXCKSQCH-RHSMWYFYSA-N 1 0 385.474 4.107 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)cc1 ZINC000190590107 823588952 /nfs/dbraw/zinc/58/89/52/823588952.db2.gz ATPJMQXPPGNPOB-CQSZACIVSA-N 1 0 383.517 4.213 20 0 GIADRO O=C(Cc1ccc(-n2cccc2)cc1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000061285952 823589640 /nfs/dbraw/zinc/58/96/40/823589640.db2.gz JNUYZQNFKFHRKT-UHFFFAOYSA-N 1 0 391.540 4.207 20 0 GIADRO CC(C)c1ccc(OCC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)cc1 ZINC000061286344 823589718 /nfs/dbraw/zinc/58/97/18/823589718.db2.gz IZRHHTWKWFWEAP-UHFFFAOYSA-N 1 0 384.545 4.376 20 0 GIADRO CC(C)[C@@H](CC(F)(F)F)[NH2+]CC(=O)N(Cc1ccco1)Cc1ccccc1 ZINC000411609359 823590446 /nfs/dbraw/zinc/59/04/46/823590446.db2.gz LSVHAXOOZDJKMI-GOSISDBHSA-N 1 0 382.426 4.375 20 0 GIADRO Cc1cc(C)c(OCC(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)c(C)c1 ZINC000061308554 823590955 /nfs/dbraw/zinc/59/09/55/823590955.db2.gz XTUFNKHQGVNCFV-UHFFFAOYSA-N 1 0 398.572 4.487 20 0 GIADRO CCCCOC(=O)c1ccc(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000061309365 823591090 /nfs/dbraw/zinc/59/10/90/823591090.db2.gz JZJUMPCJDMOAGX-UHFFFAOYSA-N 1 0 375.513 4.074 20 0 GIADRO O=C(CC[NH2+][C@H]1CCCc2c(O)cccc21)Nc1ccccc1Br ZINC000411623836 823591832 /nfs/dbraw/zinc/59/18/32/823591832.db2.gz SKNBPVXWGKFYIT-INIZCTEOSA-N 1 0 389.293 4.151 20 0 GIADRO COc1cc(NC(=O)CC[NH2+][C@H](C)c2ccccc2Cl)cc(OC)c1OC ZINC000411624656 823591891 /nfs/dbraw/zinc/59/18/91/823591891.db2.gz JVWQLIIQJQGDLH-CYBMUJFWSA-N 1 0 392.883 4.045 20 0 GIADRO CCC1(CC)[C@H]([NH2+]Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)C[C@@H]1OC ZINC000411636174 823592777 /nfs/dbraw/zinc/59/27/77/823592777.db2.gz XEOBZPPPIIBYEB-CABCVRRESA-N 1 0 387.505 4.340 20 0 GIADRO C[C@H](CCc1ccco1)NC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000061351863 823592999 /nfs/dbraw/zinc/59/29/99/823592999.db2.gz UBRXXWXVRJXDND-UZLBHIALSA-N 1 0 389.927 4.390 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1cnc2c(cnn2C(C)C)c1 ZINC000061353402 823593194 /nfs/dbraw/zinc/59/31/94/823593194.db2.gz XUBADXFWLPYKKA-UHFFFAOYSA-N 1 0 394.523 4.176 20 0 GIADRO Cc1ccccc1[C@H](CC(F)(F)F)[NH2+]CCC(=O)Nc1ccc2c(c1)OCO2 ZINC000411648728 823593830 /nfs/dbraw/zinc/59/38/30/823593830.db2.gz SVYGQQQDXATOLP-INIZCTEOSA-N 1 0 394.393 4.336 20 0 GIADRO Cc1nc(CC2CC2)sc1C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000190634688 823593932 /nfs/dbraw/zinc/59/39/32/823593932.db2.gz LQRUMRVAOYSMQE-MRXNPFEDSA-N 1 0 389.590 4.108 20 0 GIADRO Cc1nc(CC2CC2)sc1C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000190640717 823594307 /nfs/dbraw/zinc/59/43/07/823594307.db2.gz XYUKXAJSBABGHV-UHFFFAOYSA-N 1 0 397.588 4.388 20 0 GIADRO Cc1c(F)cccc1NC(=O)CC[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000411655009 823594894 /nfs/dbraw/zinc/59/48/94/823594894.db2.gz ZXDTYJTXCVGXPP-QUCCMNQESA-N 1 0 376.859 4.236 20 0 GIADRO Cc1ccccc1-n1ncc(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)c1C(C)C ZINC000190647905 823594981 /nfs/dbraw/zinc/59/49/81/823594981.db2.gz MLPCOODYBZKEJM-LJQANCHMSA-N 1 0 382.552 4.154 20 0 GIADRO CSc1ccccc1NC(=O)CC[NH2+][C@H](C)c1ccc(Br)cn1 ZINC000411662641 823595564 /nfs/dbraw/zinc/59/55/64/823595564.db2.gz GFNHYBBFAHWXFF-GFCCVEGCSA-N 1 0 394.338 4.245 20 0 GIADRO Cc1cc(N2CCCC2)ccc1NC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000124426289 823595800 /nfs/dbraw/zinc/59/58/00/823595800.db2.gz HRQRMUOYTPNGCT-NRFANRHFSA-N 1 0 392.547 4.381 20 0 GIADRO Cc1ccncc1C[N@H+](C)CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000411669942 823596192 /nfs/dbraw/zinc/59/61/92/823596192.db2.gz REHFDSPJZXRGKT-QFIPXVFZSA-N 1 0 379.529 4.179 20 0 GIADRO C[C@@H]([NH2+]CCC(=O)Nc1ccc(Cl)cc1)c1ccc(Br)cn1 ZINC000411674008 823596421 /nfs/dbraw/zinc/59/64/21/823596421.db2.gz XXCIECBKWXEBIZ-LLVKDONJSA-N 1 0 382.689 4.177 20 0 GIADRO C[NH+](C)CCN(C(=O)Nc1cc(F)cc(F)c1Br)C1CCCC1 ZINC000190670293 823596865 /nfs/dbraw/zinc/59/68/65/823596865.db2.gz ZGYCEGOWJYEATA-UHFFFAOYSA-N 1 0 390.272 4.065 20 0 GIADRO COCc1ccc(C[NH2+][C@@H](C)c2ccc(I)cc2)cc1 ZINC000124446012 823597446 /nfs/dbraw/zinc/59/74/46/823597446.db2.gz MVJBHAHNVUTPOF-ZDUSSCGKSA-N 1 0 381.257 4.288 20 0 GIADRO CCC[C@H](NC(=O)C(=O)Nc1cccc2c1C[N@@H+]([C@@H](C)C(C)C)C2)C1CCC1 ZINC000411712540 823598831 /nfs/dbraw/zinc/59/88/31/823598831.db2.gz ZVVQYQKFUFBXJX-JXFKEZNVSA-N 1 0 385.552 4.070 20 0 GIADRO CC[NH2+]Cc1ccccc1NC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1 ZINC000124471597 823599428 /nfs/dbraw/zinc/59/94/28/823599428.db2.gz OKMDNGVSGLUVMR-UHFFFAOYSA-N 1 0 399.579 4.380 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+]Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)C12CCCC2 ZINC000411718016 823599423 /nfs/dbraw/zinc/59/94/23/823599423.db2.gz ITTAGQKRMONIMP-JKSUJKDBSA-N 1 0 399.516 4.484 20 0 GIADRO CN(Cc1ccco1)C(=O)C[NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000411722007 823599862 /nfs/dbraw/zinc/59/98/62/823599862.db2.gz UALQKFDUNSNJDO-QZTJIDSGSA-N 1 0 380.410 4.183 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)c2ccccc2C(=O)c2ccc(C)cc2)CC1 ZINC000461213519 823599930 /nfs/dbraw/zinc/59/99/30/823599930.db2.gz PHJJERQRGWTPNV-UHFFFAOYSA-N 1 0 378.516 4.078 20 0 GIADRO CCOC(=O)c1cnn(C2CC[NH+](Cc3cnc4ccc(C)cc4c3)CC2)c1C ZINC000411722549 823599943 /nfs/dbraw/zinc/59/99/43/823599943.db2.gz QWOXSTWEEXLOHH-UHFFFAOYSA-N 1 0 392.503 4.062 20 0 GIADRO Cc1ccc([C@H](CNC(=O)c2ccc(-c3cnco3)cc2)[NH+]2CCCC2)cc1 ZINC000061502609 823600049 /nfs/dbraw/zinc/60/00/49/823600049.db2.gz AFNPEULFJXKSAM-NRFANRHFSA-N 1 0 375.472 4.217 20 0 GIADRO CN(C(=O)CC[NH2+][C@@H](CCO)c1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000411724175 823600110 /nfs/dbraw/zinc/60/01/10/823600110.db2.gz YMEKTGUCALNQLV-SFHVURJKSA-N 1 0 381.303 4.060 20 0 GIADRO COc1ccccc1CCC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000061503872 823600237 /nfs/dbraw/zinc/60/02/37/823600237.db2.gz AEQIJSZVAVJOAP-UHFFFAOYSA-N 1 0 380.532 4.320 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)c2cc(F)c(F)cc2Cl)[NH+]2CCCC2)cc1 ZINC000061503341 823600258 /nfs/dbraw/zinc/60/02/58/823600258.db2.gz IUWQSYLQDDGNIN-LJQANCHMSA-N 1 0 378.850 4.494 20 0 GIADRO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]Cc1ccc(N(C)C(C)C)nc1 ZINC000190707408 823600491 /nfs/dbraw/zinc/60/04/91/823600491.db2.gz MHRYPKJDNQMBRP-UHFFFAOYSA-N 1 0 377.536 4.078 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Nc1ccc(-n2cccn2)cc1C ZINC000190706407 823600564 /nfs/dbraw/zinc/60/05/64/823600564.db2.gz YJVVSBOMDYUYGE-UHFFFAOYSA-N 1 0 391.519 4.296 20 0 GIADRO C[N@H+](CCC(=O)Nc1ccccc1Br)C1CCC(F)(F)CC1 ZINC000411735490 823601033 /nfs/dbraw/zinc/60/10/33/823601033.db2.gz JPSZSAAUSMDHES-UHFFFAOYSA-N 1 0 375.257 4.287 20 0 GIADRO CSc1ccccc1NC(=O)CC[NH2+][C@@H](c1cccs1)C(C)(C)CO ZINC000411732495 823600810 /nfs/dbraw/zinc/60/08/10/823600810.db2.gz DHFLRVZEDOAUQJ-SFHVURJKSA-N 1 0 378.563 4.148 20 0 GIADRO CCCCOc1c(Cl)cc(C(=O)NCCC2CC[NH+](CC)CC2)cc1OC ZINC000461221874 823600864 /nfs/dbraw/zinc/60/08/64/823600864.db2.gz XTALOIGTNFLWMM-UHFFFAOYSA-N 1 0 396.959 4.379 20 0 GIADRO CC(C)(CO)[C@@H]([NH2+]CCC(=O)Nc1ccc(Cl)cc1F)c1cccs1 ZINC000411735896 823600959 /nfs/dbraw/zinc/60/09/59/823600959.db2.gz LCAGTSBROZZSNZ-KRWDZBQOSA-N 1 0 384.904 4.219 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CCC(=O)NCc2ccccc2Cl)c(C)c1OC ZINC000411741887 823601333 /nfs/dbraw/zinc/60/13/33/823601333.db2.gz QECPYONGXSIJNU-HNNXBMFYSA-N 1 0 390.911 4.023 20 0 GIADRO CC(=O)Nc1cccc(C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1C ZINC000190715323 823601624 /nfs/dbraw/zinc/60/16/24/823601624.db2.gz PPJAZGWOQBPJAI-MRXNPFEDSA-N 1 0 379.504 4.438 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@@H](CCO)c1ccc(Cl)cc1 ZINC000411745049 823601895 /nfs/dbraw/zinc/60/18/95/823601895.db2.gz UWQILPOKKAHHPH-INIZCTEOSA-N 1 0 397.302 4.044 20 0 GIADRO COc1cc(NC(=O)CC[NH2+][C@@H]2CCCCC23CCCC3)cc(OC)c1OC ZINC000411746152 823602097 /nfs/dbraw/zinc/60/20/97/823602097.db2.gz NZIYLKXRRSCJQD-LJQANCHMSA-N 1 0 390.524 4.134 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@@H](C)[C@@H]1OCCc2sccc21 ZINC000411753127 823602351 /nfs/dbraw/zinc/60/23/51/823602351.db2.gz BYJYYVIFKUQBMZ-BUXKBTBVSA-N 1 0 394.924 4.031 20 0 GIADRO CN1CC[C@@H]([NH2+]Cc2ccc(Br)cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000411754533 823602633 /nfs/dbraw/zinc/60/26/33/823602633.db2.gz XWKDXVGDGVTMPM-SJORKVTESA-N 1 0 398.707 4.172 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)c2occc2CN2c3ccccc3C[C@@H]2C)CC1 ZINC000461243072 823603281 /nfs/dbraw/zinc/60/32/81/823603281.db2.gz OXRKMYFLOMFWER-SFHVURJKSA-N 1 0 395.547 4.083 20 0 GIADRO CCOc1ccccc1NC(=O)CC[NH2+][C@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000411766030 823603550 /nfs/dbraw/zinc/60/35/50/823603550.db2.gz HNULWNRJHPORTR-MRXNPFEDSA-N 1 0 396.466 4.090 20 0 GIADRO CC[C@@H](Cc1cccc(Br)c1)C(=O)NCCC1CC[NH+](CC)CC1 ZINC000461246256 823603734 /nfs/dbraw/zinc/60/37/34/823603734.db2.gz UYOYQBQTTUAEBM-SFHVURJKSA-N 1 0 395.385 4.256 20 0 GIADRO CC(C)[C@@H](CO)[C@H]([NH2+]CCC(=O)Nc1c(Cl)cccc1Cl)C(C)C ZINC000411781869 823604222 /nfs/dbraw/zinc/60/42/22/823604222.db2.gz CXAUEZJJICIEFZ-CXAGYDPISA-N 1 0 375.340 4.201 20 0 GIADRO CC(C)Cc1nc(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)cs1 ZINC000061566765 823604308 /nfs/dbraw/zinc/60/43/08/823604308.db2.gz MOHSDIWIQZDDLB-UHFFFAOYSA-N 1 0 377.579 4.045 20 0 GIADRO CC(C)[C@@H](CO)[C@@H]([NH2+]Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1)C(C)C ZINC000411783206 823604437 /nfs/dbraw/zinc/60/44/37/823604437.db2.gz FMOJYJFOCPNCFW-ACJLOTCBSA-N 1 0 389.521 4.036 20 0 GIADRO Cc1ccc(C(=O)CCC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)cc1 ZINC000061572477 823604635 /nfs/dbraw/zinc/60/46/35/823604635.db2.gz RQWYNKODKKYALR-UHFFFAOYSA-N 1 0 396.556 4.188 20 0 GIADRO CCOc1ccc2cc(C(=O)Nc3cccc(C[NH+]4CCSCC4)c3)[nH]c2c1 ZINC000061571483 823604662 /nfs/dbraw/zinc/60/46/62/823604662.db2.gz HIOOUTWITZXZJX-UHFFFAOYSA-N 1 0 395.528 4.368 20 0 GIADRO Cc1ccc(OCc2ccc(C(=O)N(C)CC[C@H]3CCCC[N@@H+]3C)o2)c(C)c1 ZINC000461255114 823605757 /nfs/dbraw/zinc/60/57/57/823605757.db2.gz BOGPMCRJMWRJHJ-LJQANCHMSA-N 1 0 384.520 4.422 20 0 GIADRO CC[C@@H](Cc1cccc(Br)c1)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000461256065 823605842 /nfs/dbraw/zinc/60/58/42/823605842.db2.gz GFPLDRQLHZKZRY-PKOBYXMFSA-N 1 0 395.385 4.351 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)C1 ZINC000061601443 823606050 /nfs/dbraw/zinc/60/60/50/823606050.db2.gz LFCIICOTGCGMJZ-CIRFHOKZSA-N 1 0 382.470 4.293 20 0 GIADRO CCc1ccc(CNC(=O)NC[C@@H](c2cccc(OC)c2)[NH+](CC)CC)s1 ZINC000061608730 823606321 /nfs/dbraw/zinc/60/63/21/823606321.db2.gz NIBXTHVAIRHPCA-FQEVSTJZSA-N 1 0 389.565 4.201 20 0 GIADRO Brc1ccc(C[NH2+]CC2CCSCC2)cc1Br ZINC000124564016 823606801 /nfs/dbraw/zinc/60/68/01/823606801.db2.gz BBXMAMVCNACFKN-UHFFFAOYSA-N 1 0 379.161 4.444 20 0 GIADRO CC(C)[C@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)Nc3cccc4[nH]ccc43)c2C1 ZINC000190769604 823606836 /nfs/dbraw/zinc/60/68/36/823606836.db2.gz CXVTULFOXOLRNK-HNNXBMFYSA-N 1 0 390.487 4.105 20 0 GIADRO Cc1cccc(CN(CC[NH+](C)C)C(=O)Nc2ccc(-n3cccn3)cc2C)c1 ZINC000190771592 823606920 /nfs/dbraw/zinc/60/69/20/823606920.db2.gz UTYYIKZRCNMVNL-UHFFFAOYSA-N 1 0 391.519 4.085 20 0 GIADRO CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)C1(C)C ZINC000411810443 823606960 /nfs/dbraw/zinc/60/69/60/823606960.db2.gz VYQULOAQDWICGE-HUUCEWRRSA-N 1 0 387.505 4.339 20 0 GIADRO C[C@@H]1C[C@H](C(F)(F)F)CC[N@@H+]1CCC(=O)Nc1ccccc1Br ZINC000411811360 823607093 /nfs/dbraw/zinc/60/70/93/823607093.db2.gz XTYDEHCSHVSQDQ-VXGBXAGGSA-N 1 0 393.247 4.441 20 0 GIADRO CCN(CC)c1ccc(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)cc1 ZINC000061637104 823607159 /nfs/dbraw/zinc/60/71/59/823607159.db2.gz BSWUCJRBMYMAIQ-UHFFFAOYSA-N 1 0 397.588 4.376 20 0 GIADRO Cc1cc(C(=O)Nc2cnn(CC[NH+](C)C)c2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000061646888 823607351 /nfs/dbraw/zinc/60/73/51/823607351.db2.gz AUFGZUURUXDEAF-UHFFFAOYSA-N 1 0 393.535 4.228 20 0 GIADRO CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000461261645 823607463 /nfs/dbraw/zinc/60/74/63/823607463.db2.gz XETUDLSNNNLGDU-KRWDZBQOSA-N 1 0 393.959 4.271 20 0 GIADRO CC(C)N(C)c1ccc(C[NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)cn1 ZINC000190776224 823607539 /nfs/dbraw/zinc/60/75/39/823607539.db2.gz HARYSFYZQQRFOG-INIZCTEOSA-N 1 0 381.524 4.061 20 0 GIADRO C[C@@H](CCCc1cccnc1)[NH2+]CCC(=O)Nc1ccccc1Br ZINC000411816205 823607877 /nfs/dbraw/zinc/60/78/77/823607877.db2.gz HCOAJMZROUQTNU-HNNXBMFYSA-N 1 0 390.325 4.174 20 0 GIADRO Cc1c2cc(Br)ccc2oc1C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000461263506 823608158 /nfs/dbraw/zinc/60/81/58/823608158.db2.gz JOLVCAVPSNIQMS-OAHLLOKOSA-N 1 0 393.325 4.450 20 0 GIADRO Cc1c2cc(Br)ccc2oc1C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000461263505 823608175 /nfs/dbraw/zinc/60/81/75/823608175.db2.gz JOLVCAVPSNIQMS-HNNXBMFYSA-N 1 0 393.325 4.450 20 0 GIADRO C[C@H](CCCc1cccnc1)[NH2+]Cc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000411821015 823608389 /nfs/dbraw/zinc/60/83/89/823608389.db2.gz NODFCFQLMVSJCS-CQSZACIVSA-N 1 0 381.549 4.048 20 0 GIADRO COc1ccc(CNC(=O)Nc2ccc(OCCC[NH+](C)C)cc2)cc1Cl ZINC000124590035 823609072 /nfs/dbraw/zinc/60/90/72/823609072.db2.gz FTWHPBVKGVKEKL-UHFFFAOYSA-N 1 0 391.899 4.001 20 0 GIADRO CC(C)(CC(F)F)C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000411826395 823609155 /nfs/dbraw/zinc/60/91/55/823609155.db2.gz UMMVSNRXXUGZOA-UHFFFAOYSA-N 1 0 381.467 4.121 20 0 GIADRO Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000461274550 823610596 /nfs/dbraw/zinc/61/05/96/823610596.db2.gz YKPISVLCPIINTD-GOSISDBHSA-N 1 0 389.540 4.128 20 0 GIADRO CC[C@@H]1CN(c2ccccc2)CCN1C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000461279267 823611135 /nfs/dbraw/zinc/61/11/35/823611135.db2.gz SZWKKPTXKZNNIY-HSZRJFAPSA-N 1 0 391.559 4.026 20 0 GIADRO CC[C@@H]([NH2+]CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1)c1ccccc1 ZINC000411877479 823612176 /nfs/dbraw/zinc/61/21/76/823612176.db2.gz CTYCVOAPNRPLQJ-MJGOQNOKSA-N 1 0 377.444 4.291 20 0 GIADRO Cc1ccccc1-c1nnc(N(C)[C@H]2CC[N@@H+](C3CC3)C2)n1Cc1cccs1 ZINC000461293474 823612911 /nfs/dbraw/zinc/61/29/11/823612911.db2.gz NSOWMIYHNVWFSI-SFHVURJKSA-N 1 0 393.560 4.036 20 0 GIADRO Cc1cc(-n2cccn2)ccc1NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000190820435 823613002 /nfs/dbraw/zinc/61/30/02/823613002.db2.gz BXJUOSPEVDVJES-LJQANCHMSA-N 1 0 395.532 4.201 20 0 GIADRO N#CCOc1cccc(NC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)c1 ZINC000061770722 823613096 /nfs/dbraw/zinc/61/30/96/823613096.db2.gz AUAQPLCHRRHUQD-UHFFFAOYSA-N 1 0 392.503 4.287 20 0 GIADRO CCN(Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000190822477 823613180 /nfs/dbraw/zinc/61/31/80/823613180.db2.gz AMFQGKCZJCBWCT-ZWKOTPCHSA-N 1 0 382.552 4.352 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000411931353 823614780 /nfs/dbraw/zinc/61/47/80/823614780.db2.gz HWMUNNFKOYHHEP-OAQYLSRUSA-N 1 0 380.532 4.442 20 0 GIADRO CN(Cc1ccsc1)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000061793131 823614943 /nfs/dbraw/zinc/61/49/43/823614943.db2.gz UGUOXTZIDYAPBS-UHFFFAOYSA-N 1 0 375.563 4.003 20 0 GIADRO CO[C@@](C)([C@@H](C)[NH2+]CC(=O)Nc1c(Cl)cccc1C(F)(F)F)C1CC1 ZINC000411935538 823614963 /nfs/dbraw/zinc/61/49/63/823614963.db2.gz BILJJNBLYIULBP-HWPZZCPQSA-N 1 0 378.822 4.091 20 0 GIADRO COc1ccc(OCc2nc(C[NH2+][C@H](C)[C@](C)(OC)C3CC3)cs2)cc1 ZINC000411936464 823615164 /nfs/dbraw/zinc/61/51/64/823615164.db2.gz CGPRNEFUEDKPCW-VLIAUNLRSA-N 1 0 376.522 4.024 20 0 GIADRO CO[C@@](C)([C@@H](C)[NH2+]CC(=O)N[C@H](c1cccs1)c1ccc(C)cc1)C1CC1 ZINC000411937058 823615217 /nfs/dbraw/zinc/61/52/17/823615217.db2.gz CMAGZGVTEMRFRR-XGRCMKMKSA-N 1 0 386.561 4.055 20 0 GIADRO COc1ccc(-c2nc(C[NH2+][C@@H](C)[C@@](C)(OC)C3CC3)cs2)cc1OC ZINC000411939887 823615374 /nfs/dbraw/zinc/61/53/74/823615374.db2.gz FVOOXBHUJGPEMM-RNODOKPDSA-N 1 0 376.522 4.121 20 0 GIADRO Cc1cc(C(F)(F)F)ccc1C[NH2+]Cc1cccc(CN2CCOCC2)c1 ZINC000190843124 823615510 /nfs/dbraw/zinc/61/55/10/823615510.db2.gz MJHAIAYZHADKLD-UHFFFAOYSA-N 1 0 378.438 4.136 20 0 GIADRO Cc1cc(C[N@@H+]2C[C@H](O)C[C@H]2c2ccccc2)nc(-c2ccc(Cl)cc2)n1 ZINC000411946646 823615948 /nfs/dbraw/zinc/61/59/48/823615948.db2.gz OMXJELWZVGJWMB-RTWAWAEBSA-N 1 0 379.891 4.413 20 0 GIADRO COc1cccc(CCNC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)c1 ZINC000061866614 823616585 /nfs/dbraw/zinc/61/65/85/823616585.db2.gz MMBASKWQIZSMAI-LJQANCHMSA-N 1 0 395.547 4.112 20 0 GIADRO COc1ccc(CNC(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)cc1F ZINC000061867560 823616806 /nfs/dbraw/zinc/61/68/06/823616806.db2.gz ZWRGMEAHRTYEGL-UHFFFAOYSA-N 1 0 399.510 4.066 20 0 GIADRO COc1ccc(-c2nc(C[NH2+][C@@H](C)[C@@](C)(OC)C3CC3)cs2)c(OC)c1 ZINC000411958215 823616896 /nfs/dbraw/zinc/61/68/96/823616896.db2.gz XBWLDWQDUMDROC-RNODOKPDSA-N 1 0 376.522 4.121 20 0 GIADRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2C[C@]2(F)c2ccccc2)CC1 ZINC000411962721 823617047 /nfs/dbraw/zinc/61/70/47/823617047.db2.gz VDJMEZBZCMZFBQ-UPVQGACJSA-N 1 0 380.507 4.242 20 0 GIADRO CO[C@@](C)([C@@H](C)[NH2+]CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)C1CC1 ZINC000411972750 823617178 /nfs/dbraw/zinc/61/71/78/823617178.db2.gz QMMWOMGHVSBAOG-XARZLDAJSA-N 1 0 398.572 4.015 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)NC[C@@H]1CCCc2ccccc21 ZINC000061902275 823618240 /nfs/dbraw/zinc/61/82/40/823618240.db2.gz ACAGCPXCMZJEIM-QFIPXVFZSA-N 1 0 377.532 4.202 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)N[C@H](C)c2ccc(OC(F)F)cc2)c1 ZINC000061908335 823618249 /nfs/dbraw/zinc/61/82/49/823618249.db2.gz MSRPSSRDFXYIFZ-OAHLLOKOSA-N 1 0 391.462 4.300 20 0 GIADRO COc1ccnc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4n3C(C)C)C2)c1OC ZINC000190870835 823618304 /nfs/dbraw/zinc/61/83/04/823618304.db2.gz RYVVRGRHDWXWQQ-QGZVFWFLSA-N 1 0 394.519 4.409 20 0 GIADRO Cc1cc(C)c(Br)c(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1 ZINC000461332583 823619034 /nfs/dbraw/zinc/61/90/34/823619034.db2.gz KZPZAWHBAVTIOB-HKUYNNGSSA-N 1 0 387.321 4.241 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@@H]2CCC[C@H](C(=O)NC(C)C)C2)ccc1OC(F)F ZINC000124713594 823620085 /nfs/dbraw/zinc/62/00/85/823620085.db2.gz ZNZCPWBEVYAQRO-CWRNSKLLSA-N 1 0 384.467 4.031 20 0 GIADRO C[C@H]([NH2+][C@@H](CO)[C@H]1CCCOC1)c1ncc(-c2ccc(Cl)cc2Cl)o1 ZINC000412000729 823620213 /nfs/dbraw/zinc/62/02/13/823620213.db2.gz ZHPBTILPZLTWFX-MKBNYLNASA-N 1 0 385.291 4.087 20 0 GIADRO c1ccc([C@H]2[N@H+](CCCOc3ccc4c(c3)OCO4)CC23CCOCC3)cc1 ZINC000412001571 823620322 /nfs/dbraw/zinc/62/03/22/823620322.db2.gz QGTMZCMJACVGDR-JOCHJYFZSA-N 1 0 381.472 4.038 20 0 GIADRO O=C(CC[NH+]1CCCCC1)Nc1ccc(NC(=O)C2CCC(F)(F)CC2)cc1 ZINC000124721540 823620750 /nfs/dbraw/zinc/62/07/50/823620750.db2.gz SIITVWIQEOWREZ-UHFFFAOYSA-N 1 0 393.478 4.265 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)C[N@@H+](C)[C@H]2CCCC[C@H]2c2ccccc2)cc1 ZINC000412006845 823621851 /nfs/dbraw/zinc/62/18/51/823621851.db2.gz HXILXGLHXDDAGZ-VXKWHMMOSA-N 1 0 379.504 4.242 20 0 GIADRO CC[C@@H](C(=O)Nc1ccc(Cl)cc1NC(=O)c1ccco1)[NH+](CC)CC ZINC000461355868 823622140 /nfs/dbraw/zinc/62/21/40/823622140.db2.gz WUKRJUXZBRIDIJ-INIZCTEOSA-N 1 0 377.872 4.244 20 0 GIADRO OCC1([C@H]([NH2+]Cc2sccc2Br)c2ccccc2)CCOCC1 ZINC000412009564 823622247 /nfs/dbraw/zinc/62/22/47/823622247.db2.gz JRCBJHLOYMLVGJ-QGZVFWFLSA-N 1 0 396.350 4.131 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000124750017 823623180 /nfs/dbraw/zinc/62/31/80/823623180.db2.gz LKGRZHUESYSKLF-LJQANCHMSA-N 1 0 393.491 4.041 20 0 GIADRO COC1([C@@H](C)[NH2+]CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)CCC1 ZINC000412021602 823623283 /nfs/dbraw/zinc/62/32/83/823623283.db2.gz MWNQCSHGWONPCD-CXAGYDPISA-N 1 0 385.335 4.204 20 0 GIADRO CC[N@H+](CCC(=O)Nc1cc(OC)c(Cl)cc1OC)Cc1occc1C ZINC000412029394 823623506 /nfs/dbraw/zinc/62/35/06/823623506.db2.gz URGBMTDOXKKVTH-UHFFFAOYSA-N 1 0 380.872 4.109 20 0 GIADRO COCCN(C(C)=O)c1nc(C[N@@H+]2CC[C@@H](CC(C)(C)C)C2(C)C)cs1 ZINC000412041796 823623906 /nfs/dbraw/zinc/62/39/06/823623906.db2.gz UJNJPJAUEVMCEC-INIZCTEOSA-N 1 0 381.586 4.179 20 0 GIADRO Cc1n[nH]c(C)c1[C@H](C)Cc1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000190917091 823624182 /nfs/dbraw/zinc/62/41/82/823624182.db2.gz NGZXHFMOEILUKW-OAHLLOKOSA-N 1 0 379.508 4.409 20 0 GIADRO Cc1n[nH]c(C)c1[C@@H](C)Cc1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000190917076 823624224 /nfs/dbraw/zinc/62/42/24/823624224.db2.gz NGZXHFMOEILUKW-HNNXBMFYSA-N 1 0 379.508 4.409 20 0 GIADRO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000412056551 823624584 /nfs/dbraw/zinc/62/45/84/823624584.db2.gz OTNUUXBUSCBYRS-SFHVURJKSA-N 1 0 389.952 4.440 20 0 GIADRO Cc1ccnc(Oc2ccc(NC(=O)NCCCC[N@H+]3CCCC[C@H]3C)cc2)n1 ZINC000124768140 823624650 /nfs/dbraw/zinc/62/46/50/823624650.db2.gz URZATUOIHWIOOH-GOSISDBHSA-N 1 0 397.523 4.353 20 0 GIADRO Cc1cccc([C@@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c2ccccn2)c1 ZINC000124772953 823624978 /nfs/dbraw/zinc/62/49/78/823624978.db2.gz WTMNYWSGDMTSKH-HXUWFJFHSA-N 1 0 380.536 4.088 20 0 GIADRO Cc1ccc(OCCC(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1C ZINC000062230473 823625059 /nfs/dbraw/zinc/62/50/59/823625059.db2.gz LEMQMBTZILGYJX-JOCHJYFZSA-N 1 0 380.532 4.101 20 0 GIADRO C[C@@H]([NH2+]Cc1cc(Br)c(Cl)s1)C(=O)N1CCCC[C@H]1C ZINC000190926638 823625646 /nfs/dbraw/zinc/62/56/46/823625646.db2.gz IBCAXBABXRBTPP-NXEZZACHSA-N 1 0 379.751 4.043 20 0 GIADRO CCOc1ccc(NC(=O)[C@@H](C)[NH2+]CC2(c3ccccc3C)CCOCC2)cc1 ZINC000062240151 823625706 /nfs/dbraw/zinc/62/57/06/823625706.db2.gz PNPIMPUXTOJPBM-LJQANCHMSA-N 1 0 396.531 4.059 20 0 GIADRO COC(=O)[C@@]1(C)CCC[N@@H+]([C@@H](C)c2nnc(-c3ccc(Cl)c(Cl)c3)o2)C1 ZINC000412072136 823625833 /nfs/dbraw/zinc/62/58/33/823625833.db2.gz PQNLUYWWSCWWAN-VOJFVSQTSA-N 1 0 398.290 4.380 20 0 GIADRO CCOc1ccc(C2(C[NH2+][C@@H](C)C(=O)Nc3ccccc3C)CCOCC2)cc1 ZINC000062241118 823625892 /nfs/dbraw/zinc/62/58/92/823625892.db2.gz SHBMQHHSSCDFOX-IBGZPJMESA-N 1 0 396.531 4.059 20 0 GIADRO Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC000412080549 823625981 /nfs/dbraw/zinc/62/59/81/823625981.db2.gz VTWDBEYKPVJPRI-RBUKOAKNSA-N 1 0 388.552 4.464 20 0 GIADRO CCc1cccc(C)c1NC(=O)C[N@@H+]1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC000412082008 823626261 /nfs/dbraw/zinc/62/62/61/823626261.db2.gz XERZFCNLVHRLGE-GOSISDBHSA-N 1 0 388.552 4.330 20 0 GIADRO CC(C)(CC(F)F)C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000412094733 823626432 /nfs/dbraw/zinc/62/64/32/823626432.db2.gz RQXCXTNIPFMTGY-UHFFFAOYSA-N 1 0 381.467 4.121 20 0 GIADRO CCc1ccc(Cl)c(CC)c1NC(=O)CCC[N@@H+]1CCC[C@H](CO)[C@H]1C ZINC000412101125 823626574 /nfs/dbraw/zinc/62/65/74/823626574.db2.gz YGSLULOOXBEGHQ-NVXWUHKLSA-N 1 0 380.960 4.276 20 0 GIADRO CCOc1cc(C[NH2+]C2CCN(c3nc4ccccc4s3)CC2)ccc1OC ZINC000062259760 823626855 /nfs/dbraw/zinc/62/68/55/823626855.db2.gz QWHFGTNLXHLVIL-UHFFFAOYSA-N 1 0 397.544 4.462 20 0 GIADRO Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH2+][C@@H](C)C(=O)NC(C)(C)C ZINC000062258297 823626866 /nfs/dbraw/zinc/62/68/66/823626866.db2.gz YULANVMAMLKZKC-SFHVURJKSA-N 1 0 390.531 4.241 20 0 GIADRO COc1ccc(C[NH2+]C2CCN(c3nc4ccccc4s3)CC2)c(OC)c1 ZINC000062259698 823626943 /nfs/dbraw/zinc/62/69/43/823626943.db2.gz UVYLLEDRWGCUTN-UHFFFAOYSA-N 1 0 383.517 4.072 20 0 GIADRO COc1ccc([C@@H]([NH2+]Cc2ccc(-n3cncn3)cc2)c2ccc(C)cc2)cc1 ZINC000062258823 823626960 /nfs/dbraw/zinc/62/69/60/823626960.db2.gz QNKCWQWJPQXAIM-DEOSSOPVSA-N 1 0 384.483 4.464 20 0 GIADRO CN(Cc1ccc(F)cc1)C(=O)C[NH+]1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000062367187 823629749 /nfs/dbraw/zinc/62/97/49/823629749.db2.gz CKLGTBRWLIDOGN-UHFFFAOYSA-N 1 0 379.479 4.145 20 0 GIADRO COc1ccc(C)cc1NC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000062373355 823630304 /nfs/dbraw/zinc/63/03/04/823630304.db2.gz AVSVYGFCMHHWIG-UHFFFAOYSA-N 1 0 375.900 4.253 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)Nc1ccc(Cl)cc1F ZINC000062373208 823630397 /nfs/dbraw/zinc/63/03/97/823630397.db2.gz CUDRTSMGTSACQK-UHFFFAOYSA-N 1 0 385.817 4.353 20 0 GIADRO CC[NH+](CC)CCOC1CCN(C(=O)c2csc(C3CCCCC3)n2)CC1 ZINC000412148807 823630607 /nfs/dbraw/zinc/63/06/07/823630607.db2.gz AUWUVSDEQFNRQG-UHFFFAOYSA-N 1 0 393.597 4.154 20 0 GIADRO Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)o1 ZINC000412155853 823631164 /nfs/dbraw/zinc/63/11/64/823631164.db2.gz KCSIJWGFTGFFFE-IPELMVKDSA-N 1 0 376.566 4.105 20 0 GIADRO CC[C@@H]1CN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC[C@H]1c1ccccc1 ZINC000412156303 823631269 /nfs/dbraw/zinc/63/12/69/823631269.db2.gz JTDFFQYMENSMDJ-STZQEDGTSA-N 1 0 386.605 4.246 20 0 GIADRO CO[C@]1(C[NH2+]Cc2ccc(-c3ccccc3Br)s2)CCOC1 ZINC000461414809 823631688 /nfs/dbraw/zinc/63/16/88/823631688.db2.gz CVAWZAXDHSINOJ-KRWDZBQOSA-N 1 0 382.323 4.073 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccccc1OCC1CC1 ZINC000124861085 823631922 /nfs/dbraw/zinc/63/19/22/823631922.db2.gz YSFPXHNGDJKHGL-UHFFFAOYSA-N 1 0 382.479 4.009 20 0 GIADRO CC(C)Oc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)cc1 ZINC000062393895 823632298 /nfs/dbraw/zinc/63/22/98/823632298.db2.gz FOQMUYLXTGLAJX-UHFFFAOYSA-N 1 0 391.462 4.348 20 0 GIADRO COc1cc(OC)c([C@H](C)[NH2+][C@@H]2CCC[C@@H](C(=O)NC(C)C)C2)cc1Cl ZINC000124866558 823632397 /nfs/dbraw/zinc/63/23/97/823632397.db2.gz KZOUGZMIEYFRPD-RRFJBIMHSA-N 1 0 382.932 4.091 20 0 GIADRO CC(C)Sc1ccccc1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000190970787 823632404 /nfs/dbraw/zinc/63/24/04/823632404.db2.gz OMTCPLYMWCIWML-FQEVSTJZSA-N 1 0 398.572 4.208 20 0 GIADRO O=C(Cc1cccc(C(F)F)c1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461420530 823632702 /nfs/dbraw/zinc/63/27/02/823632702.db2.gz BCKYDMWGJKWUFU-SFTDATJTSA-N 1 0 384.470 4.147 20 0 GIADRO O=C(CCCc1ccc(F)c(F)c1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461420422 823632736 /nfs/dbraw/zinc/63/27/36/823632736.db2.gz ARFJNXUBRFAHRX-NHCUHLMSSA-N 1 0 398.497 4.268 20 0 GIADRO CCOc1ccc(NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)cc1F ZINC000062404702 823633184 /nfs/dbraw/zinc/63/31/84/823633184.db2.gz MDQSIYWLBXFMBB-UHFFFAOYSA-N 1 0 377.504 4.391 20 0 GIADRO O=C(CCCc1cc(F)ccc1F)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461422827 823633492 /nfs/dbraw/zinc/63/34/92/823633492.db2.gz JRKPSUBFWSQDNE-RTWAWAEBSA-N 1 0 398.497 4.268 20 0 GIADRO O=C(c1cncc(-c2ccccc2)c1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461424659 823633791 /nfs/dbraw/zinc/63/37/91/823633791.db2.gz HXFBKDSEHOJPJG-RCZVLFRGSA-N 1 0 397.522 4.343 20 0 GIADRO O=C(N1CC[C@H](C[NH+]2CCCCC2)C1)C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000461424617 823633809 /nfs/dbraw/zinc/63/38/09/823633809.db2.gz HSZWFFAMIDKCLE-QGZVFWFLSA-N 1 0 394.481 4.462 20 0 GIADRO O=C(Nc1ccc(-c2csnn2)cc1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000062410622 823633905 /nfs/dbraw/zinc/63/39/05/823633905.db2.gz JNZWKFYZMRUXLE-UHFFFAOYSA-N 1 0 399.564 4.371 20 0 GIADRO O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000412187629 823633926 /nfs/dbraw/zinc/63/39/26/823633926.db2.gz ACBUZMKZGBSYEI-INIZCTEOSA-N 1 0 399.387 4.096 20 0 GIADRO CC(C)OCCOCc1cccc(NC(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)c1 ZINC000062416456 823634288 /nfs/dbraw/zinc/63/42/88/823634288.db2.gz WSLFNBKGUFTHSX-MOPGFXCFSA-N 1 0 391.556 4.013 20 0 GIADRO CO[C@@]1(C[NH2+]Cc2ccc(-c3cccc(Br)c3)s2)CCOC1 ZINC000461426843 823634323 /nfs/dbraw/zinc/63/43/23/823634323.db2.gz KSENVIORTJOKSG-QGZVFWFLSA-N 1 0 382.323 4.073 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)N(C)[C@@H](C)c1ccco1)[NH+]1CCCCC1 ZINC000124893419 823634501 /nfs/dbraw/zinc/63/45/01/823634501.db2.gz WCDZNJWGOPKXBO-PKOBYXMFSA-N 1 0 385.508 4.218 20 0 GIADRO O=C(Nc1ccc(Sc2ccncc2)cc1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412196333 823634786 /nfs/dbraw/zinc/63/47/86/823634786.db2.gz KJOHHGVMTVEJHC-GOSISDBHSA-N 1 0 399.585 4.389 20 0 GIADRO CCN(CC)[C@H](C[NH2+]Cc1cnn(Cc2ccccc2Cl)c1)c1ccco1 ZINC000062423653 823635014 /nfs/dbraw/zinc/63/50/14/823635014.db2.gz DXTCGIMDVDHLIS-HXUWFJFHSA-N 1 0 386.927 4.351 20 0 GIADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)C[C@@H](c2ccc(O)cc2)C2CC2)CC1 ZINC000412199766 823635048 /nfs/dbraw/zinc/63/50/48/823635048.db2.gz HMJXIDCDLYAOLR-GAJHUEQPSA-N 1 0 393.531 4.013 20 0 GIADRO O=C(N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)C12CC3CC(CC(C3)C1)C2 ZINC000461429961 823635364 /nfs/dbraw/zinc/63/53/64/823635364.db2.gz PQXAJPCMUBUDFL-SEZMWUKUSA-N 1 0 378.560 4.183 20 0 GIADRO CO[C@@]1(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(C)cc2C)CCOC1 ZINC000461430903 823635575 /nfs/dbraw/zinc/63/55/75/823635575.db2.gz RCBLFFDMTHUSNW-XMMPIXPASA-N 1 0 391.515 4.051 20 0 GIADRO O=C([C@H](Oc1ccccc1)c1ccccc1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000461432726 823636141 /nfs/dbraw/zinc/63/61/41/823636141.db2.gz VGQSAXXVKCVPNC-NFBKMPQASA-N 1 0 378.516 4.141 20 0 GIADRO Cc1ccnc2ccc(C(=O)N3C[C@@H]4C[N@@H+](Cc5ccccc5)CC[C@@H]4C3)cc12 ZINC000461435778 823636982 /nfs/dbraw/zinc/63/69/82/823636982.db2.gz ZWXQYAJOCUGBOB-YADHBBJMSA-N 1 0 385.511 4.137 20 0 GIADRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)C1(Cc2ccccc2F)CC1 ZINC000191003787 823637143 /nfs/dbraw/zinc/63/71/43/823637143.db2.gz BXULWEIWFDSALY-UHFFFAOYSA-N 1 0 380.507 4.177 20 0 GIADRO CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F)c1ccc(C)cc1 ZINC000062475034 823637147 /nfs/dbraw/zinc/63/71/47/823637147.db2.gz JXGWCYBSKTZFRF-OAQYLSRUSA-N 1 0 389.490 4.498 20 0 GIADRO O=C(c1ccccc1C(F)(F)F)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461437828 823637284 /nfs/dbraw/zinc/63/72/84/823637284.db2.gz VSDUQLSRRBTBQM-MSOLQXFVSA-N 1 0 388.433 4.300 20 0 GIADRO Cc1cc(C)cc(C2=CCN(C(=O)C3CC[NH+]([C@H]4CCSC4)CC3)CC2)c1 ZINC000412228230 823637575 /nfs/dbraw/zinc/63/75/75/823637575.db2.gz KGMITZSGNBCZTB-QFIPXVFZSA-N 1 0 384.589 4.137 20 0 GIADRO C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[C@@H]2c2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000412230143 823637689 /nfs/dbraw/zinc/63/76/89/823637689.db2.gz KSJLNTQPLNLTDT-TWFHAPMSSA-N 1 0 386.898 4.392 20 0 GIADRO O=C(c1cc2ccccc2s1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461439434 823637697 /nfs/dbraw/zinc/63/76/97/823637697.db2.gz RJVMHHUIHGPTOO-VQTJNVASSA-N 1 0 376.525 4.495 20 0 GIADRO O=C(c1cc2ccccc2s1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461439432 823637774 /nfs/dbraw/zinc/63/77/74/823637774.db2.gz RJVMHHUIHGPTOO-PMACEKPBSA-N 1 0 376.525 4.495 20 0 GIADRO O=C(C/C=C\c1ccccc1F)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461440396 823637919 /nfs/dbraw/zinc/63/79/19/823637919.db2.gz XXAHEAHOCSKNND-PXKZMUBTSA-N 1 0 378.491 4.210 20 0 GIADRO COc1ccc([C@H](OC)[C@@H](C)NC(=O)c2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000412233420 823638139 /nfs/dbraw/zinc/63/81/39/823638139.db2.gz UCCREOMDVNTWIE-WZONZLPQSA-N 1 0 396.531 4.187 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Nc1cc(C)c(O)c(C)c1C ZINC000191014768 823638295 /nfs/dbraw/zinc/63/82/95/823638295.db2.gz RCRRVJRRDMWBCE-UHFFFAOYSA-N 1 0 382.508 4.022 20 0 GIADRO O=C(c1c[nH]cc1-c1ccc(Cl)s1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000461441212 823638275 /nfs/dbraw/zinc/63/82/75/823638275.db2.gz AWTKOHPXGYWFGG-AWEZNQCLSA-N 1 0 377.941 4.345 20 0 GIADRO C[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)CC(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000412238943 823638639 /nfs/dbraw/zinc/63/86/39/823638639.db2.gz YBGIPENWTJQPNY-LRDDRELGSA-N 1 0 376.850 4.270 20 0 GIADRO Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000124942810 823639143 /nfs/dbraw/zinc/63/91/43/823639143.db2.gz HQFZTXLNVNBECT-UXLLHSPISA-N 1 0 380.602 4.398 20 0 GIADRO C=CCN(Cc1ccc(OC)cc1)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000062528099 823640058 /nfs/dbraw/zinc/64/00/58/823640058.db2.gz NTZZDDPJPIAKGG-UHFFFAOYSA-N 1 0 399.579 4.438 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000191034921 823640653 /nfs/dbraw/zinc/64/06/53/823640653.db2.gz BRUWWUQKTXTYFD-CVEARBPZSA-N 1 0 377.495 4.261 20 0 GIADRO Cc1ccnc(Oc2ccc(NC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)cc2)n1 ZINC000124962035 823640858 /nfs/dbraw/zinc/64/08/58/823640858.db2.gz BPEQBPTUTOCHFJ-UHFFFAOYSA-N 1 0 383.496 4.008 20 0 GIADRO C[C@H](CCOc1ccccc1)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461455253 823641133 /nfs/dbraw/zinc/64/11/33/823641133.db2.gz LCXSKBCMAUAURE-AKIFATBCSA-N 1 0 392.543 4.072 20 0 GIADRO O=C(c1sccc1-n1cccc1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461455074 823641137 /nfs/dbraw/zinc/64/11/37/823641137.db2.gz KDDYGVAXRXCPJF-PMACEKPBSA-N 1 0 391.540 4.133 20 0 GIADRO O=C(NCCC[NH2+]Cc1cc(Br)c(Cl)s1)c1cccs1 ZINC000191039848 823641272 /nfs/dbraw/zinc/64/12/72/823641272.db2.gz CTONMQCBBMTEGM-UHFFFAOYSA-N 1 0 393.759 4.135 20 0 GIADRO O=C([C@@H]1C[C@@H]1c1cc(F)ccc1F)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461456681 823641488 /nfs/dbraw/zinc/64/14/88/823641488.db2.gz NREHIKBWLMKQIT-GWOFKNCZSA-N 1 0 396.481 4.049 20 0 GIADRO CC(C)N(C)c1ccc(C[NH2+]CCCc2nc(-c3ccncc3)cs2)cn1 ZINC000191043699 823641609 /nfs/dbraw/zinc/64/16/09/823641609.db2.gz PZYFBRVGTHVAPY-UHFFFAOYSA-N 1 0 381.549 4.167 20 0 GIADRO O=C([C@@H]1[C@@H](c2ccccc2)C1(F)F)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461457551 823641635 /nfs/dbraw/zinc/64/16/35/823641635.db2.gz VBUXECGSBAEDNA-KJJMTIBFSA-N 1 0 396.481 4.016 20 0 GIADRO CC(C)(C)n1cc(C[NH2+]C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)nn1 ZINC000191048162 823642193 /nfs/dbraw/zinc/64/21/93/823642193.db2.gz GZCLDJNZABEDSO-UHFFFAOYSA-N 1 0 396.366 4.094 20 0 GIADRO CC(C)(C)c1cnc(CCC(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)o1 ZINC000461466903 823643144 /nfs/dbraw/zinc/64/31/44/823643144.db2.gz LDXAIWOIGQEAHA-FQEVSTJZSA-N 1 0 397.563 4.323 20 0 GIADRO CCCCn1ncc(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c1CC ZINC000461467145 823643204 /nfs/dbraw/zinc/64/32/04/823643204.db2.gz MKHWSXCTTXWCOA-NRFANRHFSA-N 1 0 396.579 4.278 20 0 GIADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)NCCC(c2ccccc2)c2ccccc2)C1 ZINC000062649772 823643225 /nfs/dbraw/zinc/64/32/25/823643225.db2.gz QYTBNPIYGDOMRL-HXUWFJFHSA-N 1 0 379.548 4.238 20 0 GIADRO Cc1ccc([C@H](C[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)N2CCCC2)cc1 ZINC000124992429 823643257 /nfs/dbraw/zinc/64/32/57/823643257.db2.gz XZBHVECSJUYDSM-CVDCTZTESA-N 1 0 393.531 4.439 20 0 GIADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1nnc(-c2ccccc2)n1Cc1cccs1 ZINC000461477465 823644657 /nfs/dbraw/zinc/64/46/57/823644657.db2.gz FMYAWGFURRCQFR-IEBWSBKVSA-N 1 0 393.560 4.118 20 0 GIADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1nnc(-c2ccccc2)n1Cc1cccs1 ZINC000461477467 823644666 /nfs/dbraw/zinc/64/46/66/823644666.db2.gz FMYAWGFURRCQFR-PKOBYXMFSA-N 1 0 393.560 4.118 20 0 GIADRO CC[C@H](C(=O)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F)[NH+](CC)CC ZINC000461478529 823645018 /nfs/dbraw/zinc/64/50/18/823645018.db2.gz HSLWTZBUYDOVLR-ZIAGYGMSSA-N 1 0 382.373 4.128 20 0 GIADRO CC(C)c1nnc(N2CCC[N@H+](Cc3ccccc3)CC2)n1Cc1cccs1 ZINC000461481187 823645642 /nfs/dbraw/zinc/64/56/42/823645642.db2.gz ALJHWBWDLLEBQQ-UHFFFAOYSA-N 1 0 395.576 4.224 20 0 GIADRO O=C(N1CCC[N@H+](CC2CCC2)CC1)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)F)(C3)C2 ZINC000412318275 823645945 /nfs/dbraw/zinc/64/59/45/823645945.db2.gz YQWDPMYVSDVLNK-FWGXRIOKSA-N 1 0 398.513 4.470 20 0 GIADRO COc1ccc(OC)c([C@@H](O)C[NH2+][C@@H]2CCSc3c(Cl)cccc32)c1 ZINC000125045096 823647679 /nfs/dbraw/zinc/64/76/79/823647679.db2.gz XFEPRDIOCHEECT-SJORKVTESA-N 1 0 379.909 4.217 20 0 GIADRO CC[C@@H](C)[NH2+][C@H](CNC(=O)c1sc(C)cc1Br)c1ccco1 ZINC000412336251 823647865 /nfs/dbraw/zinc/64/78/65/823647865.db2.gz OGZZNJBKPHNUIS-ZWNOBZJWSA-N 1 0 385.327 4.271 20 0 GIADRO COc1cccc(CN(CC[NH+](C)C)C(=O)Nc2ccc(F)cc2Cl)c1 ZINC000191094074 823648171 /nfs/dbraw/zinc/64/81/71/823648171.db2.gz WBCVLNSDUKAHFB-UHFFFAOYSA-N 1 0 379.863 4.083 20 0 GIADRO C[C@@H](CNC(=O)N1CCC([NH+]2CCCC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000191095364 823648302 /nfs/dbraw/zinc/64/83/02/823648302.db2.gz ZBFLVKIWPNQPNE-HNNXBMFYSA-N 1 0 383.458 4.079 20 0 GIADRO Cc1cc(F)ccc1C1CCN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC1 ZINC000412351600 823648967 /nfs/dbraw/zinc/64/89/67/823648967.db2.gz BVFDGFAJMLSTRK-HXUWFJFHSA-N 1 0 390.568 4.058 20 0 GIADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H]1CCc2c1cccc2O ZINC000125062287 823649222 /nfs/dbraw/zinc/64/92/22/823649222.db2.gz LOUCJVRRRAOZLX-IBGZPJMESA-N 1 0 398.304 4.426 20 0 GIADRO Cc1ccc(C(=O)CCC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000063080907 823650487 /nfs/dbraw/zinc/65/04/87/823650487.db2.gz NKJVCFLYPJUVFA-UHFFFAOYSA-N 1 0 392.543 4.295 20 0 GIADRO Cc1cccc(CSCC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000063081154 823650521 /nfs/dbraw/zinc/65/05/21/823650521.db2.gz RQCSFOLEBFCTRP-UHFFFAOYSA-N 1 0 382.573 4.257 20 0 GIADRO O=C(CCc1c[nH]c2ccccc12)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000063081346 823650655 /nfs/dbraw/zinc/65/06/55/823650655.db2.gz HWXWHSKQFVXCKE-UHFFFAOYSA-N 1 0 375.516 4.129 20 0 GIADRO O=C(Cn1ccc2ccc(Cl)cc21)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000063081797 823650754 /nfs/dbraw/zinc/65/07/54/823650754.db2.gz MDTQRIADCKMETN-UHFFFAOYSA-N 1 0 395.934 4.323 20 0 GIADRO C[C@@H](CC(F)F)C(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000412377675 823650949 /nfs/dbraw/zinc/65/09/49/823650949.db2.gz SKQSLBIKSJDEOE-OXJNMPFZSA-N 1 0 378.507 4.427 20 0 GIADRO Cc1nn(-c2cccc(F)c2)cc1C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000412382613 823651271 /nfs/dbraw/zinc/65/12/71/823651271.db2.gz WSLYKLXRGGUQFI-OAQYLSRUSA-N 1 0 378.451 4.121 20 0 GIADRO CCCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NC[C@H](C)[NH+](C)C ZINC000412392476 823652417 /nfs/dbraw/zinc/65/24/17/823652417.db2.gz DGOBDLGEYXICGF-NSHDSACASA-N 1 0 384.307 4.281 20 0 GIADRO Oc1cccc2c(NC(=S)NC3CC[NH+](Cc4ccccc4)CC3)cccc12 ZINC000063143059 823652481 /nfs/dbraw/zinc/65/24/81/823652481.db2.gz WGMBTQBKXOBGMI-UHFFFAOYSA-N 1 0 391.540 4.496 20 0 GIADRO C[C@@H](CCc1ccccc1)NC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000063142595 823652558 /nfs/dbraw/zinc/65/25/58/823652558.db2.gz SFVQEGFGSYTLDZ-IBGZPJMESA-N 1 0 381.589 4.136 20 0 GIADRO C[C@@H]1CC(O)C[C@@H](C)[NH+]1Cc1c(-c2ccc(Cl)cc2)nc2sccn12 ZINC000191134480 823652581 /nfs/dbraw/zinc/65/25/81/823652581.db2.gz AQUDMORGYNDWOD-CHWSQXEVSA-N 1 0 375.925 4.450 20 0 GIADRO S=C(NCCc1cccc(Cl)c1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000063144557 823652722 /nfs/dbraw/zinc/65/27/22/823652722.db2.gz PPFLGALQTUCBRP-UHFFFAOYSA-N 1 0 387.980 4.011 20 0 GIADRO CCN(C(=S)NC1CC[NH+](Cc2ccccc2)CC1)[C@H](C)c1cccc(O)c1 ZINC000063149489 823652920 /nfs/dbraw/zinc/65/29/20/823652920.db2.gz PSYDGDPVEGUAME-GOSISDBHSA-N 1 0 397.588 4.314 20 0 GIADRO Cc1c([C@@H](C)[NH2+]C[C@H](c2ccccc2Cl)N2CCOCC2)cnn1C(C)C ZINC000191144230 823653468 /nfs/dbraw/zinc/65/34/68/823653468.db2.gz DUPJZXZLARDNHM-IIBYNOLFSA-N 1 0 390.959 4.150 20 0 GIADRO CC[NH+](CC)CCSCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000461523283 823653592 /nfs/dbraw/zinc/65/35/92/823653592.db2.gz ULLLFJFLSYWKHI-MRXNPFEDSA-N 1 0 391.562 4.094 20 0 GIADRO C[C@@H](C[NH2+]Cc1ccccc1OCC(=O)N(C)C)c1ccc(C(F)(F)F)cc1 ZINC000191155447 823654390 /nfs/dbraw/zinc/65/43/90/823654390.db2.gz SNBJVARJYCOJPA-HNNXBMFYSA-N 1 0 394.437 4.066 20 0 GIADRO Cc1c2ccccc2oc1[C@@H](C)NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000125160212 823655834 /nfs/dbraw/zinc/65/58/34/823655834.db2.gz ZXMUUFQVFYSNMF-HLIPFELVSA-N 1 0 381.520 4.461 20 0 GIADRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cnn(-c2ccccc2C)c1C(F)(F)F ZINC000461543371 823656093 /nfs/dbraw/zinc/65/60/93/823656093.db2.gz BAVMCTDXLLUBET-HNNXBMFYSA-N 1 0 396.457 4.050 20 0 GIADRO CCc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC000191188959 823657638 /nfs/dbraw/zinc/65/76/38/823657638.db2.gz IVKBIAPDTUALRX-ATZDWAIDSA-N 1 0 389.540 4.002 20 0 GIADRO Cc1c([C@H](C)[NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)cnn1C(C)C ZINC000191191027 823657932 /nfs/dbraw/zinc/65/79/32/823657932.db2.gz WYLTVDYZJGTHFI-HNNXBMFYSA-N 1 0 376.495 4.366 20 0 GIADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCc1ccc(Sc2ccccc2)cc1 ZINC000125210349 823659317 /nfs/dbraw/zinc/65/93/17/823659317.db2.gz DEDDYOUETPHUSU-UWJYYQICSA-N 1 0 383.561 4.319 20 0 GIADRO CS(=O)(=O)c1ccc(OCCC[N@@H+](Cc2ccccc2)CC2CCC2)cc1 ZINC000063286988 823659956 /nfs/dbraw/zinc/65/99/56/823659956.db2.gz KXWAWZORHDOUOD-UHFFFAOYSA-N 1 0 387.545 4.161 20 0 GIADRO CC[C@H]1CC[N@H+](CC(=O)N(C)[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)C1 ZINC000125236455 823661201 /nfs/dbraw/zinc/66/12/01/823661201.db2.gz JPTPRALFKBHWAR-OALUTQOASA-N 1 0 393.531 4.190 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Nc1cc(-n2cccn2)ccc1C ZINC000191229018 823661210 /nfs/dbraw/zinc/66/12/10/823661210.db2.gz YWLNYKUUBTUWCV-UHFFFAOYSA-N 1 0 391.519 4.296 20 0 GIADRO CCCN(CCC[NH+](C)C)C(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1C ZINC000191229680 823661299 /nfs/dbraw/zinc/66/12/99/823661299.db2.gz FCVBEVZUCKXLDL-UHFFFAOYSA-N 1 0 396.535 4.443 20 0 GIADRO CCCOc1ccc(C(=O)CCC(=O)Nc2ccc(C[NH+](C)C)cc2F)cc1 ZINC000412555169 823661717 /nfs/dbraw/zinc/66/17/17/823661717.db2.gz ZZRNZQHKZLOSIR-UHFFFAOYSA-N 1 0 386.467 4.278 20 0 GIADRO C[C@@H](Oc1ccccc1Br)C(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000412555598 823662035 /nfs/dbraw/zinc/66/20/35/823662035.db2.gz CCNSCAYNAUNJIO-GFCCVEGCSA-N 1 0 395.272 4.056 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)c1cc(Cl)sc1Cl ZINC000412560956 823662337 /nfs/dbraw/zinc/66/23/37/823662337.db2.gz CQDHQJLSOGXHJV-UHFFFAOYSA-N 1 0 389.304 4.256 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)c1oc2c(cccc2C)c1C ZINC000412560783 823662371 /nfs/dbraw/zinc/66/23/71/823662371.db2.gz BWWWAHQQBCEVRM-UHFFFAOYSA-N 1 0 382.460 4.251 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)[C@H]1C[C@@H]1c1ccccc1Cl ZINC000412561826 823662547 /nfs/dbraw/zinc/66/25/47/823662547.db2.gz FOLDJZXLKUOVQW-SJORKVTESA-N 1 0 388.895 4.031 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCCc2sccc21)c1cccc(N2CCCS2(=O)=O)c1 ZINC000125270380 823663793 /nfs/dbraw/zinc/66/37/93/823663793.db2.gz DXLCSOQHWCJYLU-RDTXWAMCSA-N 1 0 376.547 4.016 20 0 GIADRO C[C@@H](Cc1ccc(Br)cc1)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000125274721 823664063 /nfs/dbraw/zinc/66/40/63/823664063.db2.gz SFSICNUIIBKGFA-AWEZNQCLSA-N 1 0 381.358 4.007 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCc2cc(Cl)ccc21)c1cccc(N2CCCS2(=O)=O)c1 ZINC000125274097 823664072 /nfs/dbraw/zinc/66/40/72/823664072.db2.gz BZSPTQNVVVFVAN-JLTOFOAXSA-N 1 0 390.936 4.218 20 0 GIADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)CCc1ccc(Br)cc1F ZINC000063342247 823664614 /nfs/dbraw/zinc/66/46/14/823664614.db2.gz MDMMHBZPILZYPA-CQSZACIVSA-N 1 0 387.337 4.148 20 0 GIADRO COCCN(C)c1ccc(C[NH2+][C@H](C)c2ccc(-c3ccncc3)cc2)cn1 ZINC000191262957 823664911 /nfs/dbraw/zinc/66/49/11/823664911.db2.gz CNBMWXFXZYFEHN-GOSISDBHSA-N 1 0 376.504 4.077 20 0 GIADRO C[C@H](NC(=O)CCc1ccc(Cl)c(Cl)c1)C1([NH+]2CCOCC2)CCCC1 ZINC000461588674 823666304 /nfs/dbraw/zinc/66/63/04/823666304.db2.gz IZZHKABCKXWJCW-HNNXBMFYSA-N 1 0 399.362 4.076 20 0 GIADRO CCOC(=O)/C=C/c1ccc(NC(=O)NC2CC[NH+](CC3CCCC3)CC2)cc1 ZINC000063391441 823666966 /nfs/dbraw/zinc/66/69/66/823666966.db2.gz KMXVBCBANLYBRF-FMIVXFBMSA-N 1 0 399.535 4.039 20 0 GIADRO CCOC(=O)c1csc(C2CC[NH+](Cn3cnc4cc(C)c(C)cc43)CC2)n1 ZINC000191281547 823667095 /nfs/dbraw/zinc/66/70/95/823667095.db2.gz BMBKZLBUCZDVOH-UHFFFAOYSA-N 1 0 398.532 4.123 20 0 GIADRO Cc1nc(CN2CCC(C[NH2+][C@H](C)c3cnn(C(C)(C)C)c3C)CC2)oc1C ZINC000191281642 823667118 /nfs/dbraw/zinc/66/71/18/823667118.db2.gz HOBVTSVOMMBAEU-MRXNPFEDSA-N 1 0 387.572 4.114 20 0 GIADRO c1ccc(-c2noc(C3CC[NH+](Cc4ccc(OCC5CC5)cc4)CC3)n2)nc1 ZINC000191291844 823668118 /nfs/dbraw/zinc/66/81/18/823668118.db2.gz YMWFDWJJWDTVQU-UHFFFAOYSA-N 1 0 390.487 4.300 20 0 GIADRO COc1cc(Cl)c(Cl)cc1NC(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000191291939 823668186 /nfs/dbraw/zinc/66/81/86/823668186.db2.gz HTNXXNVLVDHXTC-UHFFFAOYSA-N 1 0 386.279 4.191 20 0 GIADRO COc1ccc([C@@H](NC(=O)NC2CC[NH+](CC3CCCC3)CC2)C2CC2)cc1 ZINC000063407849 823668824 /nfs/dbraw/zinc/66/88/24/823668824.db2.gz YYUMTTFZKSOEGE-QFIPXVFZSA-N 1 0 385.552 4.100 20 0 GIADRO C[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2cc3ccc(Br)cc3[nH]2)CC1 ZINC000125343811 823669464 /nfs/dbraw/zinc/66/94/64/823669464.db2.gz AUOBEEVXXMXTSP-ZDUSSCGKSA-N 1 0 390.325 4.019 20 0 GIADRO CCN(CCC[NH+](C)C)C(=O)Nc1ccc(Sc2nc(C)cs2)cc1 ZINC000191311950 823670211 /nfs/dbraw/zinc/67/02/11/823670211.db2.gz BOHNSMFNSRFABU-UHFFFAOYSA-N 1 0 378.567 4.408 20 0 GIADRO CCOc1cccc(C[NH2+]Cc2ccc(N(C)C(C)C)nc2)c1OC(F)F ZINC000191311151 823670265 /nfs/dbraw/zinc/67/02/65/823670265.db2.gz MYPJJYDHQQGCPO-UHFFFAOYSA-N 1 0 379.451 4.216 20 0 GIADRO C[C@@H]1CC[C@@H](C[N@@H+]2CCC[C@@H]2c2nc(-c3ccccc3Br)no2)O1 ZINC000191312795 823670429 /nfs/dbraw/zinc/67/04/29/823670429.db2.gz VQSIZPFTHSXJAI-DVOMOZLQSA-N 1 0 392.297 4.204 20 0 GIADRO COc1ccc(C)cc1NC(=O)[C@@H]([NH2+][C@@H](C)C1CCOCC1)c1ccccc1 ZINC000125364810 823670791 /nfs/dbraw/zinc/67/07/91/823670791.db2.gz GNKTUXIBUPNWQP-JTSKRJEESA-N 1 0 382.504 4.088 20 0 GIADRO CC[NH+](CC)[C@H](C(=O)NC[C@@H]1C[C@H](C)O[C@H]1C)c1cccc(C(F)(F)F)c1 ZINC000412656464 823671443 /nfs/dbraw/zinc/67/14/43/823671443.db2.gz PIGZRNXBJHESQJ-DNUAJFIVSA-N 1 0 386.458 4.018 20 0 GIADRO CC(=O)c1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(OC(F)F)cc2)cc1 ZINC000125383928 823672103 /nfs/dbraw/zinc/67/21/03/823672103.db2.gz PXPLIMKOYRDUIW-CHWSQXEVSA-N 1 0 376.403 4.168 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@H](C)c1cnn(C(C)(C)C)c1C ZINC000191326455 823672180 /nfs/dbraw/zinc/67/21/80/823672180.db2.gz ZYQCVDQWVKIVBB-CYBMUJFWSA-N 1 0 392.931 4.288 20 0 GIADRO O=C(COc1ccc(OCC[NH+]2CCCCC2)cc1)Nc1ccccc1Cl ZINC000063457468 823672568 /nfs/dbraw/zinc/67/25/68/823672568.db2.gz KIKLRKJAKZKPQV-UHFFFAOYSA-N 1 0 388.895 4.222 20 0 GIADRO C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccccc2NC(=O)c2ccccc2)CC1 ZINC000125391262 823672623 /nfs/dbraw/zinc/67/26/23/823672623.db2.gz WZOADMOBGBMSRJ-GOSISDBHSA-N 1 0 391.515 4.028 20 0 GIADRO CC(C)Oc1ccc([C@H](O)C[NH2+][C@@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)cc1 ZINC000125392095 823672839 /nfs/dbraw/zinc/67/28/39/823672839.db2.gz OYGLAPLFFLWETH-YCRPNKLZSA-N 1 0 382.504 4.088 20 0 GIADRO CC(C)Oc1cccc(CNC(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000063463927 823673244 /nfs/dbraw/zinc/67/32/44/823673244.db2.gz WUEGJQUUQFPXAQ-JOCHJYFZSA-N 1 0 395.547 4.185 20 0 GIADRO CN(Cc1ccc(F)c(F)c1)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000063464431 823673250 /nfs/dbraw/zinc/67/32/50/823673250.db2.gz WXLYGECXHHDQRB-LJQANCHMSA-N 1 0 387.474 4.018 20 0 GIADRO CCOc1ccc(CN(C)C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000063464584 823673423 /nfs/dbraw/zinc/67/34/23/823673423.db2.gz LVISYIHEIKXMEB-JOCHJYFZSA-N 1 0 395.547 4.139 20 0 GIADRO COc1cc([C@H](C)[NH2+]C[C@@H](O)c2ccc(OC(C)C)cc2)ccc1OC(F)F ZINC000125405455 823673716 /nfs/dbraw/zinc/67/37/16/823673716.db2.gz GVZAXUZDNLKRQW-KBXCAEBGSA-N 1 0 395.446 4.468 20 0 GIADRO CC[C@@H](C)Sc1ccc(NC(=O)Nc2ccn(CC[NH+](C)C)n2)c(C)c1 ZINC000191345595 823674494 /nfs/dbraw/zinc/67/44/94/823674494.db2.gz KVNKPRMUCDKQAG-OAHLLOKOSA-N 1 0 375.542 4.288 20 0 GIADRO C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000063492053 823675738 /nfs/dbraw/zinc/67/57/38/823675738.db2.gz SKRRIUJQCOFHNK-ZNLUXHQJSA-N 1 0 398.572 4.246 20 0 GIADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cn(Cc3ccccc3)c3ccccc23)C1 ZINC000063490129 823675751 /nfs/dbraw/zinc/67/57/51/823675751.db2.gz GKCRZYDALKPUCD-FQEVSTJZSA-N 1 0 375.516 4.150 20 0 GIADRO S=c1oc(-c2ccc(Cl)cc2)nn1CN1CCC([NH+]2CCCCC2)CC1 ZINC000063506810 823676923 /nfs/dbraw/zinc/67/69/23/823676923.db2.gz GSWGMSFDMKNXMN-UHFFFAOYSA-N 1 0 392.956 4.434 20 0 GIADRO CN1CC[C@H]([NH2+]Cc2csc(-c3ccccn3)n2)[C@@H]1c1ccc(Cl)cc1 ZINC000125451400 823677197 /nfs/dbraw/zinc/67/71/97/823677197.db2.gz XDDIFYLWPHHGCP-HKUYNNGSSA-N 1 0 384.936 4.394 20 0 GIADRO Cc1ccc(-c2ccc(C[NH2+]Cc3ccnc(N4CCOCC4)c3)s2)cc1 ZINC000063511954 823677279 /nfs/dbraw/zinc/67/72/79/823677279.db2.gz KBICYWGAFAYLQH-UHFFFAOYSA-N 1 0 379.529 4.245 20 0 GIADRO CC(C)c1c(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)cnn1-c1cccc(Cl)c1 ZINC000063530709 823677763 /nfs/dbraw/zinc/67/77/63/823677763.db2.gz WZJPODVZENTYGQ-INIZCTEOSA-N 1 0 388.943 4.109 20 0 GIADRO CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+]Cc2csc3ccccc23)cc1 ZINC000063526130 823677805 /nfs/dbraw/zinc/67/78/05/823677805.db2.gz GOUVTZRFPLIKDG-UHFFFAOYSA-N 1 0 388.558 4.220 20 0 GIADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@@H]1c2ccccc2O[C@H]1C ZINC000461668035 823678016 /nfs/dbraw/zinc/67/80/16/823678016.db2.gz UWJAMRLXBDOUMF-JXFKEZNVSA-N 1 0 387.549 4.124 20 0 GIADRO C[C@@H](CNC(=O)Nc1cccc(NC(=O)C2CCCCC2)c1)C[NH+]1CCCC1 ZINC000125465127 823678400 /nfs/dbraw/zinc/67/84/00/823678400.db2.gz FZMNIRBAFJQRAP-KRWDZBQOSA-N 1 0 386.540 4.059 20 0 GIADRO O[C@H](C[NH2+]Cc1cccc(C(F)(F)F)c1)COc1cccc(C(F)(F)F)c1 ZINC000063548584 823678757 /nfs/dbraw/zinc/67/87/57/823678757.db2.gz UZRZCXVRELOTNK-OAHLLOKOSA-N 1 0 393.327 4.254 20 0 GIADRO Cc1cc(C)c(C[NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)c(C)c1 ZINC000063561531 823679617 /nfs/dbraw/zinc/67/96/17/823679617.db2.gz PMVCCPOHAVTUBY-WOJBJXKFSA-N 1 0 380.532 4.151 20 0 GIADRO C[C@@H](c1ccc2ccccc2c1)[N@H+](CC(=O)Nc1ccccc1C(N)=O)C1CC1 ZINC000063577689 823680670 /nfs/dbraw/zinc/68/06/70/823680670.db2.gz HNHYUFWZKZWRAU-INIZCTEOSA-N 1 0 387.483 4.103 20 0 GIADRO Cc1nn(-c2ccccc2)c2sc(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc12 ZINC000461691452 823682241 /nfs/dbraw/zinc/68/22/41/823682241.db2.gz BDVQTHYRVUZHIK-HNNXBMFYSA-N 1 0 384.549 4.102 20 0 GIADRO COc1ccc(CN(C)C(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000412787716 823682668 /nfs/dbraw/zinc/68/26/68/823682668.db2.gz RLMUBWZGNVRFJB-UHFFFAOYSA-N 1 0 386.923 4.219 20 0 GIADRO Cc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2cccc(N3CCCC3=O)c2)cc1C ZINC000063619599 823683736 /nfs/dbraw/zinc/68/37/36/823683736.db2.gz RYSXMVRFFRZNJJ-QFIPXVFZSA-N 1 0 391.515 4.206 20 0 GIADRO C[NH+](C)C[C@@H]1CCN(Cc2cn(Cc3ccccc3)nc2-c2cccs2)C1 ZINC000125545809 823684166 /nfs/dbraw/zinc/68/41/66/823684166.db2.gz BTNFLOSTIFNGGI-IBGZPJMESA-N 1 0 380.561 4.043 20 0 GIADRO C[C@H](NC(=O)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1)C(C)(C)C[NH+](C)C ZINC000461710966 823685875 /nfs/dbraw/zinc/68/58/75/823685875.db2.gz JBHLXRRQHMIBBF-YESZJQIVSA-N 1 0 385.577 4.439 20 0 GIADRO CC[C@H](c1ccncc1)N(C)C(=O)NC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000125567902 823686127 /nfs/dbraw/zinc/68/61/27/823686127.db2.gz WQLBQCKFPGRSIQ-CZTZKLFOSA-N 1 0 380.536 4.085 20 0 GIADRO COc1cccc(C[NH+]2CCC(NC(=O)CCCCc3ccc(C)cc3)CC2)c1 ZINC000063648542 823686566 /nfs/dbraw/zinc/68/65/66/823686566.db2.gz MCZHSVKMNIQOQB-UHFFFAOYSA-N 1 0 394.559 4.497 20 0 GIADRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccccn1 ZINC000063659269 823687323 /nfs/dbraw/zinc/68/73/23/823687323.db2.gz OAEAHSWDKFPIBI-UHFFFAOYSA-N 1 0 394.346 4.302 20 0 GIADRO Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)C1CC[NH+](CC(C)C)CC1 ZINC000063657336 823687363 /nfs/dbraw/zinc/68/73/63/823687363.db2.gz KTYGMKIQKBYYLN-UHFFFAOYSA-N 1 0 396.579 4.124 20 0 GIADRO COc1cccc([C@@H]2C[C@H]2CNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000412877074 823687807 /nfs/dbraw/zinc/68/78/07/823687807.db2.gz PKTFDTIZGRHMIT-GMAHTHKFSA-N 1 0 392.543 4.217 20 0 GIADRO CCOc1ccccc1NC(=O)[C@@H]([NH2+][C@H](C)C1CCOCC1)c1ccccc1 ZINC000125593675 823688415 /nfs/dbraw/zinc/68/84/15/823688415.db2.gz HMSWWHBKZLAMMS-VGSWGCGISA-N 1 0 382.504 4.170 20 0 GIADRO Cc1nn(-c2ccccc2)c2sc(C(=O)NC[C@@H]3CCC[N@@H+](C(C)C)C3)cc12 ZINC000063710527 823690327 /nfs/dbraw/zinc/69/03/27/823690327.db2.gz JNBBYYZRADKXMK-KRWDZBQOSA-N 1 0 396.560 4.246 20 0 GIADRO Cc1nc(C(F)(F)F)sc1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000461744326 823690808 /nfs/dbraw/zinc/69/08/08/823690808.db2.gz GDJNWVBXFKZIMA-AWEZNQCLSA-N 1 0 383.439 4.037 20 0 GIADRO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]C[C@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000125631947 823691758 /nfs/dbraw/zinc/69/17/58/823691758.db2.gz SJEQFMWYJWQJPA-PXAZEXFGSA-N 1 0 385.430 4.229 20 0 GIADRO CCCn1ccnc1CCC[N@H+](C)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000191501014 823692031 /nfs/dbraw/zinc/69/20/31/823692031.db2.gz XYJSCZBZLYHJGQ-UHFFFAOYSA-N 1 0 383.323 4.103 20 0 GIADRO CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cnn(C(C)(C)C)c2C)c2ccc(F)cc2C1 ZINC000191503555 823692463 /nfs/dbraw/zinc/69/24/63/823692463.db2.gz WSXKNKQIBGFBQJ-SPLOXXLWSA-N 1 0 386.515 4.230 20 0 GIADRO C[NH+](C)C1CCN(C(=O)CCN2c3ccccc3Sc3ccccc32)CC1 ZINC000063735256 823692658 /nfs/dbraw/zinc/69/26/58/823692658.db2.gz VSJMVPGLTQDNFZ-UHFFFAOYSA-N 1 0 381.545 4.232 20 0 GIADRO COc1ccc2c(c1)[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N1CCCC1)CCS2 ZINC000191506381 823692849 /nfs/dbraw/zinc/69/28/49/823692849.db2.gz ASDIROWULYJUJF-SFTDATJTSA-N 1 0 396.556 4.055 20 0 GIADRO Oc1cccc(C[NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)c1 ZINC000191507207 823693048 /nfs/dbraw/zinc/69/30/48/823693048.db2.gz UOBCBDAVEKQLNU-IBGZPJMESA-N 1 0 376.294 4.412 20 0 GIADRO CCC[N@H+](Cc1csc(CC(=O)OC(C)C)n1)[C@@H]1CCc2ccccc2C1 ZINC000063741686 823693124 /nfs/dbraw/zinc/69/31/24/823693124.db2.gz DVMUAIIWZAQACF-HXUWFJFHSA-N 1 0 386.561 4.407 20 0 GIADRO O=C(CSc1nc2ccccc2o1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000063745623 823693324 /nfs/dbraw/zinc/69/33/24/823693324.db2.gz ZVGJGCIZKZPNJV-UHFFFAOYSA-N 1 0 387.549 4.035 20 0 GIADRO CC(=O)Nc1ccc2c(C[N@@H+](Cc3ccc(C#N)cc3)C(C)C)cc(=O)oc2c1 ZINC000063751183 823693493 /nfs/dbraw/zinc/69/34/93/823693493.db2.gz LSPVTJHSADSASY-UHFFFAOYSA-N 1 0 389.455 4.034 20 0 GIADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2cc3ccc(Br)cc3[nH]2)C1 ZINC000063758353 823693989 /nfs/dbraw/zinc/69/39/89/823693989.db2.gz JGXVWKQMCOKGQU-CQSZACIVSA-N 1 0 392.341 4.172 20 0 GIADRO CC(C)(C)OC(=O)CC[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000191518390 823694585 /nfs/dbraw/zinc/69/45/85/823694585.db2.gz DPDNMOQVXLDBLL-SFHVURJKSA-N 1 0 398.341 4.238 20 0 GIADRO CC(C)(C)OC(=O)CC[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000191518375 823694615 /nfs/dbraw/zinc/69/46/15/823694615.db2.gz DPDNMOQVXLDBLL-GOSISDBHSA-N 1 0 398.341 4.238 20 0 GIADRO Cc1cc(C)c(C[NH2+]Cc2cn(C)nc2-c2ccc3c(c2)OCCCO3)c(C)c1 ZINC000063775908 823694864 /nfs/dbraw/zinc/69/48/64/823694864.db2.gz XKUHVVOVGKMKIF-UHFFFAOYSA-N 1 0 391.515 4.463 20 0 GIADRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)NCC(F)(F)F ZINC000063777529 823695174 /nfs/dbraw/zinc/69/51/74/823695174.db2.gz YMRDKPNHTVKGAV-UHFFFAOYSA-N 1 0 386.245 4.019 20 0 GIADRO COCCN1CCC([NH2+][C@@H](c2cccs2)c2ccc3c(c2)CCCC3)CC1 ZINC000461788641 823695498 /nfs/dbraw/zinc/69/54/98/823695498.db2.gz AQODIUDXOOOFKE-HSZRJFAPSA-N 1 0 384.589 4.417 20 0 GIADRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2N(C)C)c(-n2cc(Cl)cn2)n1 ZINC000191529473 823695905 /nfs/dbraw/zinc/69/59/05/823695905.db2.gz YPOFCRNHNICJKU-AWEZNQCLSA-N 1 0 387.890 4.285 20 0 GIADRO CC[C@@H](C)n1ncc(C(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)c1C1CC1 ZINC000125686566 823696748 /nfs/dbraw/zinc/69/67/48/823696748.db2.gz WYJCQDPLZUGOMO-GOSISDBHSA-N 1 0 394.563 4.468 20 0 GIADRO CCc1nc2ccc(Cl)cn2c1-c1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000461801043 823697346 /nfs/dbraw/zinc/69/73/46/823697346.db2.gz KQJSMGRDDHWVAO-UHFFFAOYSA-N 1 0 381.867 4.329 20 0 GIADRO CN(CCc1ccccc1)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000063799292 823697954 /nfs/dbraw/zinc/69/79/54/823697954.db2.gz DVKBBQXEZLQCTC-UHFFFAOYSA-N 1 0 379.548 4.447 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)CCCc1ncc(-c2ccccc2)o1)C1CCCCC1 ZINC000063804052 823698307 /nfs/dbraw/zinc/69/83/07/823698307.db2.gz KSPZADDEPQSTJH-HXUWFJFHSA-N 1 0 383.536 4.291 20 0 GIADRO CCOC(=O)N(C)c1ccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000063804662 823698486 /nfs/dbraw/zinc/69/84/86/823698486.db2.gz DNCQPFCYUSRPAI-UHFFFAOYSA-N 1 0 395.503 4.130 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NCc3nccn3-c3ccccc3)cc2)CC1 ZINC000191555201 823699137 /nfs/dbraw/zinc/69/91/37/823699137.db2.gz LVJVKGPTAIAVRS-UHFFFAOYSA-N 1 0 375.520 4.015 20 0 GIADRO CCn1c(SCc2cccc(C[NH+]3CCCCC3)c2)nnc1-c1cnccn1 ZINC000412998069 823699228 /nfs/dbraw/zinc/69/92/28/823699228.db2.gz IJHHMRSXYPQVIV-UHFFFAOYSA-N 1 0 394.548 4.033 20 0 GIADRO CC[C@@H](C(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1)[NH+](C)C ZINC000163297061 823700251 /nfs/dbraw/zinc/70/02/51/823700251.db2.gz VYAKUZJZLAPZFD-KRWDZBQOSA-N 1 0 393.409 4.236 20 0 GIADRO COc1cccc(-c2noc([C@H](C)N[C@H]3CC[N@@H+]([C@@H](C)c4ccccc4)C3)n2)c1 ZINC000191564268 823700360 /nfs/dbraw/zinc/70/03/60/823700360.db2.gz NDFYEAIMMDGGAS-ZWOKBUDYSA-N 1 0 392.503 4.231 20 0 GIADRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1Br ZINC000163302814 823700567 /nfs/dbraw/zinc/70/05/67/823700567.db2.gz RBZRISCYEPBHSD-ZDUSSCGKSA-N 1 0 382.323 4.012 20 0 GIADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2oc3ccccc3c2COc2ccccc2)C1 ZINC000063836629 823700623 /nfs/dbraw/zinc/70/06/23/823700623.db2.gz DVCYPKHUYKNHEN-SFHVURJKSA-N 1 0 392.499 4.472 20 0 GIADRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)CC1 ZINC000163310550 823700828 /nfs/dbraw/zinc/70/08/28/823700828.db2.gz MSFTVRKPDUXKJG-IFMALSPDSA-N 1 0 398.497 4.439 20 0 GIADRO CCOC(=O)c1csc(CC[NH2+][C@H](C)c2cccc(-c3ccncc3)c2)n1 ZINC000191565718 823700798 /nfs/dbraw/zinc/70/07/98/823700798.db2.gz NCXOFHPQJTWOCQ-OAHLLOKOSA-N 1 0 381.501 4.275 20 0 GIADRO Cc1ccc([C@@H](C)NC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)cc1F ZINC000163326865 823701775 /nfs/dbraw/zinc/70/17/75/823701775.db2.gz ZTBIMAUTHFMOTR-QGZVFWFLSA-N 1 0 384.499 4.148 20 0 GIADRO CC[N@@H+]1CCC[C@H](CNC(=O)c2sc(-c3cccc(Cl)c3)nc2C)C1 ZINC000063852602 823702415 /nfs/dbraw/zinc/70/24/15/823702415.db2.gz FETCZDWEBNAGLC-CQSZACIVSA-N 1 0 377.941 4.234 20 0 GIADRO C[C@@H]([NH2+][C@H](COc1ccccc1F)C(C)(C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000163348492 823702976 /nfs/dbraw/zinc/70/29/76/823702976.db2.gz CAVXCGMHYHIEDZ-FOIQADDNSA-N 1 0 393.524 4.374 20 0 GIADRO CC[N@@H+]1CCC[C@H](CNC(=O)CSc2cccc3cccc(Cl)c32)C1 ZINC000063865506 823703792 /nfs/dbraw/zinc/70/37/92/823703792.db2.gz MTSIGAPROUZBOE-OAHLLOKOSA-N 1 0 376.953 4.433 20 0 GIADRO C[C@@H]1C[C@H](CCNC(=O)c2cnccc2C(F)(F)F)C[N@@H+]1Cc1ccccc1 ZINC000574336673 823704527 /nfs/dbraw/zinc/70/45/27/823704527.db2.gz HVHXIHMZEDHZSM-WBVHZDCISA-N 1 0 391.437 4.131 20 0 GIADRO C[C@@H]1C[C@H](CNC(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)[C@@H](C)O1 ZINC000413085027 823704642 /nfs/dbraw/zinc/70/46/42/823704642.db2.gz OLTTVOSNHKYAIG-JBYIUTFZSA-N 1 0 395.547 4.028 20 0 GIADRO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]Cc1ccc(CS(C)(=O)=O)cc1 ZINC000125755700 823704668 /nfs/dbraw/zinc/70/46/68/823704668.db2.gz RAHSDYSWDVFEGO-CABCVRRESA-N 1 0 388.558 4.123 20 0 GIADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCc1ccc(C2CC2)cc1 ZINC000191587869 823704999 /nfs/dbraw/zinc/70/49/99/823704999.db2.gz PCNPEPURGXWHOU-QHCPKHFHSA-N 1 0 392.547 4.155 20 0 GIADRO CCc1c(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cnn1-c1ccccc1Cl ZINC000191590419 823705486 /nfs/dbraw/zinc/70/54/86/823705486.db2.gz ZJDMSCLPWLRAKO-HUUCEWRRSA-N 1 0 389.931 4.035 20 0 GIADRO C[C@@H](OCCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000163397348 823706026 /nfs/dbraw/zinc/70/60/26/823706026.db2.gz FIEGJVIKIQYDAP-GOSISDBHSA-N 1 0 383.492 4.321 20 0 GIADRO CS(=O)(=O)CC1(C[NH2+][C@H](Cc2ccc(Cl)cc2)c2ccccc2)CCC1 ZINC000574347056 823706130 /nfs/dbraw/zinc/70/61/30/823706130.db2.gz SCUSQEDRYSJFFA-HXUWFJFHSA-N 1 0 391.964 4.428 20 0 GIADRO Cc1cc(N(C)C2CC[NH+](CCc3ccccn3)CC2)nc(-c2cccs2)n1 ZINC000413098721 823706651 /nfs/dbraw/zinc/70/66/51/823706651.db2.gz FKKLKXFBYVXTGK-UHFFFAOYSA-N 1 0 393.560 4.052 20 0 GIADRO CC(C)(C)NC(=O)c1ccc(NC(=O)c2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000413099364 823707062 /nfs/dbraw/zinc/70/70/62/823707062.db2.gz ZAARFWZPGZWPHD-UHFFFAOYSA-N 1 0 393.531 4.453 20 0 GIADRO COc1ccc(CN(C)C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)cc1Cl ZINC000413102524 823707338 /nfs/dbraw/zinc/70/73/38/823707338.db2.gz FFGZIWRBOUHKSP-INIZCTEOSA-N 1 0 381.948 4.145 20 0 GIADRO C[C@H]([NH2+]Cc1ccnc(N2CCCC2)c1)c1ccc(Br)cc1F ZINC000125775546 823707534 /nfs/dbraw/zinc/70/75/34/823707534.db2.gz IVYJAIQZTOJIKU-ZDUSSCGKSA-N 1 0 378.289 4.434 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCc1cnccc1C(C)(C)C ZINC000413103110 823707559 /nfs/dbraw/zinc/70/75/59/823707559.db2.gz WFBRSRCNFSRJRG-UHFFFAOYSA-N 1 0 382.552 4.219 20 0 GIADRO COc1ccc(C[C@H](C)C[NH2+][C@@H](C)c2nc(Cc3ccccc3)no2)cc1F ZINC000191597374 823707794 /nfs/dbraw/zinc/70/77/94/823707794.db2.gz LYPKDAHYLOTBLP-HOTGVXAUSA-N 1 0 383.467 4.338 20 0 GIADRO COc1ccc(C)cc1C1(C[NH2+]Cc2ccc(OC)c(OC)c2C)CCOCC1 ZINC000574359609 823707893 /nfs/dbraw/zinc/70/78/93/823707893.db2.gz RUOLMOWKAFVCPQ-UHFFFAOYSA-N 1 0 399.531 4.167 20 0 GIADRO COc1ccc(CN(C)C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)cc1Cl ZINC000413104831 823707997 /nfs/dbraw/zinc/70/79/97/823707997.db2.gz HMYKWYVZAPHPCH-MRXNPFEDSA-N 1 0 381.948 4.002 20 0 GIADRO C[C@@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)[N@@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000163426097 823708055 /nfs/dbraw/zinc/70/80/55/823708055.db2.gz YGCIMGYXOFHJJR-NWDGAFQWSA-N 1 0 397.306 4.082 20 0 GIADRO CC(C)CC(=O)N1CCC([NH2+][C@@H](C)c2ccc(F)cc2Br)CC1 ZINC000163425712 823708063 /nfs/dbraw/zinc/70/80/63/823708063.db2.gz PQZVRSQKHPDTSO-ZDUSSCGKSA-N 1 0 385.321 4.276 20 0 GIADRO CCOCC(C)(C)C[NH2+][C@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1 ZINC000574362143 823708865 /nfs/dbraw/zinc/70/88/65/823708865.db2.gz FBRAXWDKYFXQOO-NRFANRHFSA-N 1 0 384.520 4.336 20 0 GIADRO CCC(O)(CC)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 ZINC000063918093 823711603 /nfs/dbraw/zinc/71/16/03/823711603.db2.gz JOZMPSWHMGIHLB-UHFFFAOYSA-N 1 0 379.504 4.189 20 0 GIADRO C[C@@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1ccc(Br)cc1F ZINC000125793735 823711991 /nfs/dbraw/zinc/71/19/91/823711991.db2.gz XYZTYIKJAUBQSG-GFCCVEGCSA-N 1 0 395.272 4.137 20 0 GIADRO Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+]CCCOC[C@@H]1CCCO1 ZINC000163474411 823713796 /nfs/dbraw/zinc/71/37/96/823713796.db2.gz IOMPVKZZDXNLIS-ZBFHGGJFSA-N 1 0 378.513 4.494 20 0 GIADRO Brc1ccc2c(c1)[C@@H]([NH2+]CCCOC[C@@H]1CCCO1)CCS2 ZINC000163508147 823716814 /nfs/dbraw/zinc/71/68/14/823716814.db2.gz UGZTYPJUSNJTGD-HOCLYGCPSA-N 1 0 386.355 4.161 20 0 GIADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)CCc1cc(Cl)ccc1Br ZINC000574387900 823716888 /nfs/dbraw/zinc/71/68/88/823716888.db2.gz UPVDCYOHPIBNCU-DYVFJYSZSA-N 1 0 399.760 4.120 20 0 GIADRO CO[C@H]1C[C@H]2C[C@H]([NH2+]Cc3cccc(NC(=O)c4ccc(F)cc4)c3)C[C@H]2C1 ZINC000574391719 823718071 /nfs/dbraw/zinc/71/80/71/823718071.db2.gz IIGIFLFWZMTKCL-TVACAODXSA-N 1 0 382.479 4.371 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000574397426 823719192 /nfs/dbraw/zinc/71/91/92/823719192.db2.gz SDXIWRWVEUQQTK-NUTKFTJISA-N 1 0 375.513 4.342 20 0 GIADRO Cc1noc(C)c1CSc1ccccc1C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000574398107 823719200 /nfs/dbraw/zinc/71/92/00/823719200.db2.gz NZJBMVDPODUIAP-ZWKOTPCHSA-N 1 0 399.560 4.045 20 0 GIADRO C[NH+](C)CCCOC1CCN(c2nc(C(F)F)nc3ccc(Cl)cc32)CC1 ZINC000413166581 823719588 /nfs/dbraw/zinc/71/95/88/823719588.db2.gz GZYXDDLCKSOPBE-UHFFFAOYSA-N 1 0 398.885 4.158 20 0 GIADRO C[C@@H]([NH2+]Cc1cccnc1-n1ccnc1)c1ccc(Br)cc1F ZINC000125822802 823720443 /nfs/dbraw/zinc/72/04/43/823720443.db2.gz MGARIXHKFRJGJK-GFCCVEGCSA-N 1 0 375.245 4.020 20 0 GIADRO C[NH+](C)CCCOC1CCN(c2ncc(-c3ccc(Cl)cc3)s2)CC1 ZINC000413175023 823720788 /nfs/dbraw/zinc/72/07/88/823720788.db2.gz QOHWOYMXIVGZFR-UHFFFAOYSA-N 1 0 379.957 4.401 20 0 GIADRO CC[NH+](CC)Cc1cccc(CN[C@@H](C)c2nnn(-c3ccc(F)cc3)c2C)c1 ZINC000163556248 823721374 /nfs/dbraw/zinc/72/13/74/823721374.db2.gz HBLAWFANSMGBQA-KRWDZBQOSA-N 1 0 395.526 4.407 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1ccc2ccccc2n1 ZINC000191646435 823723069 /nfs/dbraw/zinc/72/30/69/823723069.db2.gz MTECBHBBESRZSF-IVZQSRNASA-N 1 0 395.453 4.355 20 0 GIADRO CCCn1nc(C)c(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)c1C ZINC000163571900 823723750 /nfs/dbraw/zinc/72/37/50/823723750.db2.gz CTHKRPZKGRIGAV-QGZVFWFLSA-N 1 0 382.552 4.214 20 0 GIADRO CC1(C)C[N@H+](Cc2ccccc2OCC(=O)N2CCCC2)CC[C@@H]1C(F)(F)F ZINC000191659102 823725497 /nfs/dbraw/zinc/72/54/97/823725497.db2.gz HLIDFUKHIUHXLT-SFHVURJKSA-N 1 0 398.469 4.098 20 0 GIADRO Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+][C@H](C)c1oc2ccccc2c1C ZINC000191658268 823725763 /nfs/dbraw/zinc/72/57/63/823725763.db2.gz TXNXJARHGVREJB-MRXNPFEDSA-N 1 0 383.492 4.357 20 0 GIADRO COc1cccc(-c2nc(C[N@@H+]3CCC[C@@]3(CO)CC(C)C)cs2)c1OC ZINC000191658499 823725812 /nfs/dbraw/zinc/72/58/12/823725812.db2.gz JTPKXRDUVPCUND-NRFANRHFSA-N 1 0 390.549 4.200 20 0 GIADRO CC1(C)C[N@H+](Cc2ccccc2OCC(=O)NCC2CC2)CC[C@@H]1C(F)(F)F ZINC000191659344 823725832 /nfs/dbraw/zinc/72/58/32/823725832.db2.gz FXWVVSRSYHUHPJ-SFHVURJKSA-N 1 0 398.469 4.002 20 0 GIADRO CC1(C)C[N@H+](Cc2ccccc2OCC(=O)NCC2CC2)CC[C@H]1C(F)(F)F ZINC000191659361 823725861 /nfs/dbraw/zinc/72/58/61/823725861.db2.gz FXWVVSRSYHUHPJ-GOSISDBHSA-N 1 0 398.469 4.002 20 0 GIADRO COc1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)C(C)(C)C2)ccc1OC(=O)C1CC1 ZINC000191663182 823726810 /nfs/dbraw/zinc/72/68/10/823726810.db2.gz VJFLQRHJJLJSFX-QGZVFWFLSA-N 1 0 385.426 4.421 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)N1CCC[C@@H]1c1nc2ccccc2s1)c1ccccc1 ZINC000125844515 823726702 /nfs/dbraw/zinc/72/67/02/823726702.db2.gz VPLQOYMNLNYUAH-MOPGFXCFSA-N 1 0 394.544 4.446 20 0 GIADRO C[C@@H](c1ccccc1)[N@H+](CC(=O)Nc1ccc(C(=O)N(C)C)cc1)C1CCCC1 ZINC000574434840 823728233 /nfs/dbraw/zinc/72/82/33/823728233.db2.gz DPBHYTCDCKHHER-SFHVURJKSA-N 1 0 393.531 4.333 20 0 GIADRO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3ccc(C(F)(F)F)cc3Cl)CC[C@@H]21 ZINC000125852469 823728739 /nfs/dbraw/zinc/72/87/39/823728739.db2.gz BYLNRFCPLRCDAI-NHYWBVRUSA-N 1 0 375.822 4.307 20 0 GIADRO CCOC(=O)Cc1cccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000574438660 823729174 /nfs/dbraw/zinc/72/91/74/823729174.db2.gz KXGYBHKLQRYEHY-UHFFFAOYSA-N 1 0 380.488 4.030 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)N(C)Cc2ccc(OC)c(Cl)c2)c1 ZINC000413212702 823729308 /nfs/dbraw/zinc/72/93/08/823729308.db2.gz YZFPJKCZQGIALZ-UHFFFAOYSA-N 1 0 389.927 4.142 20 0 GIADRO C[NH+]1CCN(Cc2cccc(C(=O)N[C@H](c3ccc(F)cc3)C(C)(C)C)c2)CC1 ZINC000461869859 823730308 /nfs/dbraw/zinc/73/03/08/823730308.db2.gz FZNBCTQYFHZNJZ-JOCHJYFZSA-N 1 0 397.538 4.090 20 0 GIADRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C ZINC000191678418 823730563 /nfs/dbraw/zinc/73/05/63/823730563.db2.gz STXISCFEPPGYIA-DLBZAZTESA-N 1 0 389.540 4.079 20 0 GIADRO CCCn1nc(C)c(CNc2cc(C)cc(N3CC[NH+](C(C)C)CC3)c2)c1C ZINC000191679824 823731033 /nfs/dbraw/zinc/73/10/33/823731033.db2.gz CUXOUTVPINZEHQ-UHFFFAOYSA-N 1 0 383.584 4.361 20 0 GIADRO CCCOCc1ccccc1C[NH2+][C@@H](C)CC(=O)Nc1cccnc1Cl ZINC000163642619 823731352 /nfs/dbraw/zinc/73/13/52/823731352.db2.gz IPGJRQGVSGSSIT-HNNXBMFYSA-N 1 0 375.900 4.169 20 0 GIADRO COC1CCN(CC[NH2+][C@H](C)c2sc(-c3ccccc3F)nc2C)CC1 ZINC000163644904 823732085 /nfs/dbraw/zinc/73/20/85/823732085.db2.gz FBMBQOZYCHZCBG-CQSZACIVSA-N 1 0 377.529 4.019 20 0 GIADRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+][C@@H]3CCN(CC(F)(F)F)C3)s2)cc1 ZINC000125864577 823732425 /nfs/dbraw/zinc/73/24/25/823732425.db2.gz KWHIYLGGJOEYFD-SWLSCSKDSA-N 1 0 399.482 4.414 20 0 GIADRO C[C@H](CC(=O)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1)[C@@H]1CCC[NH2+]C1 ZINC000574450834 823733776 /nfs/dbraw/zinc/73/37/76/823733776.db2.gz UWVIMNDPYHMPHE-SPYBWZPUSA-N 1 0 386.433 4.128 20 0 GIADRO CC(C)c1c(NC(=O)N2CC[NH+](C(C)C)CC2)cnn1-c1ccccc1Cl ZINC000191686854 823733915 /nfs/dbraw/zinc/73/39/15/823733915.db2.gz DOZNFTKAGHFTTN-UHFFFAOYSA-N 1 0 389.931 4.207 20 0 GIADRO CC(C)c1c(NC(=O)N2CCC([NH+](C)C)CC2)cnn1-c1ccccc1Cl ZINC000191688237 823734624 /nfs/dbraw/zinc/73/46/24/823734624.db2.gz GRZZULBVFJKFGY-UHFFFAOYSA-N 1 0 389.931 4.207 20 0 GIADRO Cc1c([C@H](C)NC[C@H]2CCC[N@@H+](C(C)C)C2)nnn1-c1ccc(Cl)cc1 ZINC000125878238 823735023 /nfs/dbraw/zinc/73/50/23/823735023.db2.gz AMSRPKWACPNNCD-DOTOQJQBSA-N 1 0 375.948 4.000 20 0 GIADRO CCCOCc1ccccc1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000163676451 823735609 /nfs/dbraw/zinc/73/56/09/823735609.db2.gz BKRROOFRFMUHBH-UHFFFAOYSA-N 1 0 383.492 4.280 20 0 GIADRO Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000413248841 823738339 /nfs/dbraw/zinc/73/83/39/823738339.db2.gz XSVRUJIVPXYHIZ-WNHJNPCNSA-N 1 0 385.552 4.067 20 0 GIADRO CCOc1ccc([C@@H](NC(=O)C2CC[NH+](C)CC2)c2cccc(Cl)c2)cc1 ZINC000163697442 823738712 /nfs/dbraw/zinc/73/87/12/823738712.db2.gz JRENFUVLINALPD-OAQYLSRUSA-N 1 0 386.923 4.286 20 0 GIADRO CCOc1ccc([C@H](NC(=O)C2CC[NH+](C)CC2)c2cccc(Cl)c2)cc1 ZINC000163697337 823738748 /nfs/dbraw/zinc/73/87/48/823738748.db2.gz JRENFUVLINALPD-NRFANRHFSA-N 1 0 386.923 4.286 20 0 GIADRO CC(C)c1c(NC(=O)N2CC[C@@H](C[NH+](C)C)C2)cnn1-c1ccc(Cl)cc1 ZINC000191698101 823739533 /nfs/dbraw/zinc/73/95/33/823739533.db2.gz PWSXSKMPQVPIPO-HNNXBMFYSA-N 1 0 389.931 4.065 20 0 GIADRO CCCn1c2ccccc2nc1CN(Cc1ccncc1)C[C@H]1CCC[N@@H+]1CC ZINC000574487006 823744839 /nfs/dbraw/zinc/74/48/39/823744839.db2.gz XRBNCQAQVBCJCC-OAQYLSRUSA-N 1 0 391.563 4.328 20 0 GIADRO CC(C)(C)c1ncc(C[NH2+][C@@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)cn1 ZINC000574486443 823744899 /nfs/dbraw/zinc/74/48/99/823744899.db2.gz FXCLAVMBGRKXQU-HXUWFJFHSA-N 1 0 393.453 4.284 20 0 GIADRO COc1cccc(C2(CNC(=O)N3CCC[C@H](C[NH+]4CCCCCC4)C3)CC2)c1 ZINC000461901114 823745302 /nfs/dbraw/zinc/74/53/02/823745302.db2.gz IJVTWPGCBLOBIS-HXUWFJFHSA-N 1 0 399.579 4.024 20 0 GIADRO C[C@H]([NH2+][C@@H](CN1CCOCC1)c1ccccc1)c1cccc(-c2ccncc2)c1 ZINC000163753825 823745396 /nfs/dbraw/zinc/74/53/96/823745396.db2.gz ZSZDGZCXOBHULU-CPJSRVTESA-N 1 0 387.527 4.473 20 0 GIADRO Cc1nccn1CCCC[NH2+]Cc1cn(Cc2ccccc2)nc1C(C)(C)C ZINC000125928508 823746540 /nfs/dbraw/zinc/74/65/40/823746540.db2.gz URKOISATMFEFDZ-UHFFFAOYSA-N 1 0 379.552 4.304 20 0 GIADRO CC[C@@H]([NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1)c1ccncc1 ZINC000163771759 823747192 /nfs/dbraw/zinc/74/71/92/823747192.db2.gz HLCOTLYESHDUFG-CXAGYDPISA-N 1 0 376.298 4.302 20 0 GIADRO CC[C@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1cc(Cl)ccc1OC ZINC000163776730 823747406 /nfs/dbraw/zinc/74/74/06/823747406.db2.gz USDKNRRVDHFFNO-IBGZPJMESA-N 1 0 390.911 4.057 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@H]2CCCN2CC(F)(F)F)cc1 ZINC000461908563 823749390 /nfs/dbraw/zinc/74/93/90/823749390.db2.gz GHAVJNACJXJFGU-CRAIPNDOSA-N 1 0 383.458 4.026 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1ccc(-c2ccccc2)o1 ZINC000163832362 823752655 /nfs/dbraw/zinc/75/26/55/823752655.db2.gz HIPHESBOHJHKDL-KRWDZBQOSA-N 1 0 378.472 4.264 20 0 GIADRO O=C(NCc1ccc(Sc2ccccc2)cc1)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000125955852 823752798 /nfs/dbraw/zinc/75/27/98/823752798.db2.gz ZOCQNNOEXCGTLN-JOCHJYFZSA-N 1 0 396.556 4.097 20 0 GIADRO COc1cc(C[N@H+](C)Cc2ccc(OCc3csc(C)n3)cc2)ccc1O ZINC000125958913 823753412 /nfs/dbraw/zinc/75/34/12/823753412.db2.gz AZMBLQZWQNWNJZ-UHFFFAOYSA-N 1 0 384.501 4.377 20 0 GIADRO CC[N@H+](C[C@H](O)COc1ccc(Cl)cc1Br)C1CCCC1 ZINC000064141904 823753987 /nfs/dbraw/zinc/75/39/87/823753987.db2.gz FIOHMSKXICHKLK-AWEZNQCLSA-N 1 0 376.722 4.107 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1cccc(-c2ccncc2)c1 ZINC000163855862 823754414 /nfs/dbraw/zinc/75/44/14/823754414.db2.gz MEWJTAYBRMNAMA-GOSISDBHSA-N 1 0 389.499 4.066 20 0 GIADRO C[N@H+](CCCCNC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1)C1CC1 ZINC000574532426 823756865 /nfs/dbraw/zinc/75/68/65/823756865.db2.gz LHCPYPHNXOROEG-LJQANCHMSA-N 1 0 375.513 4.150 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1cnccc1C(C)(C)C ZINC000413349824 823757259 /nfs/dbraw/zinc/75/72/59/823757259.db2.gz HVAJQDQXENUFPS-AVRDEDQJSA-N 1 0 394.563 4.089 20 0 GIADRO CCc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1 ZINC000574534907 823757463 /nfs/dbraw/zinc/75/74/63/823757463.db2.gz NPIMCRMRRHWPDX-BJKOFHAPSA-N 1 0 392.543 4.096 20 0 GIADRO C[C@H](C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)c1cccc(Br)c1 ZINC000461923246 823757708 /nfs/dbraw/zinc/75/77/08/823757708.db2.gz OZJNBWPNAWPHLY-UGSOOPFHSA-N 1 0 393.300 4.111 20 0 GIADRO CC[NH+](CC)CCOc1ccc(NC(=O)c2ccc3c(C)cc(=O)[nH]c3c2)cc1 ZINC000574550593 823762379 /nfs/dbraw/zinc/76/23/79/823762379.db2.gz WTVSGQQYLFHACI-UHFFFAOYSA-N 1 0 393.487 4.222 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CSCc2cscn2)cc1 ZINC000125996569 823762980 /nfs/dbraw/zinc/76/29/80/823762980.db2.gz QIWLMHDHMQCBJT-MRXNPFEDSA-N 1 0 389.590 4.067 20 0 GIADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)NCc2ccc(Cl)cc2Cl)cc1 ZINC000574553585 823763641 /nfs/dbraw/zinc/76/36/41/823763641.db2.gz JZCNXSZTWJUGOK-GOSISDBHSA-N 1 0 396.318 4.104 20 0 GIADRO Clc1ccc([C@@H](C[NH2+][C@@H]2CCCNc3ccccc32)N2CCOCC2)cc1 ZINC000574558990 823766328 /nfs/dbraw/zinc/76/63/28/823766328.db2.gz PUVDYKLDYMGHIJ-FGZHOGPDSA-N 1 0 385.939 4.250 20 0 GIADRO COc1ccc([C@H](C)[NH2+]Cc2c(C)nn(Cc3ccccc3)c2C)c(OC)c1 ZINC000163982172 823768380 /nfs/dbraw/zinc/76/83/80/823768380.db2.gz QLQYLBBDEZJWSG-INIZCTEOSA-N 1 0 379.504 4.416 20 0 GIADRO C[C@@H](CC(=O)N1CCc2ccccc2[C@@H]1Cc1ccccc1)C1CC[NH2+]CC1 ZINC000574569402 823769459 /nfs/dbraw/zinc/76/94/59/823769459.db2.gz QEMBXMVUHVAZCT-CYFREDJKSA-N 1 0 376.544 4.381 20 0 GIADRO CC[C@H](CO)[NH+]1CCN(C(=O)Nc2ccc(Sc3ccccc3)cc2C)CC1 ZINC000126034448 823771041 /nfs/dbraw/zinc/77/10/41/823771041.db2.gz MJJVUTLUQDHFCT-GOSISDBHSA-N 1 0 399.560 4.067 20 0 GIADRO CCn1cc([C@H](C)[NH2+][C@H](C)c2ccc(OCc3ccncc3)c(OC)c2)cn1 ZINC000164033127 823772112 /nfs/dbraw/zinc/77/21/12/823772112.db2.gz UTXOYNKAWMFQTD-SJORKVTESA-N 1 0 380.492 4.297 20 0 GIADRO Cc1cc(-c2nnc(CN[C@H]3CC[N@H+](Cc4ccccc4)CC3(C)C)o2)c(C)o1 ZINC000574586473 823772897 /nfs/dbraw/zinc/77/28/97/823772897.db2.gz GBUNFJLQYLHMTA-FQEVSTJZSA-N 1 0 394.519 4.337 20 0 GIADRO CC(C)OCCN1CCC([NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)CC1 ZINC000574589771 823773503 /nfs/dbraw/zinc/77/35/03/823773503.db2.gz GBDPOCIXEHMVRQ-UHFFFAOYSA-N 1 0 393.984 4.443 20 0 GIADRO COc1cc([C@@H](C)[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)ccc1OC(F)F ZINC000164080947 823775799 /nfs/dbraw/zinc/77/57/99/823775799.db2.gz CSYHSQUGKCEDTQ-GFCCVEGCSA-N 1 0 388.455 4.251 20 0 GIADRO COc1ccc(C[N@@H+]2CCCN(c3nccc4cc(OC)c(F)cc43)CC2)cc1 ZINC000574599631 823776618 /nfs/dbraw/zinc/77/66/18/823776618.db2.gz RCRVFFAACPHNAY-UHFFFAOYSA-N 1 0 395.478 4.103 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)Nc2cc(F)ccc2OCC(F)(F)F)cc1 ZINC000126059842 823777332 /nfs/dbraw/zinc/77/73/32/823777332.db2.gz OFZKMVAWXOPTOS-UHFFFAOYSA-N 1 0 399.388 4.150 20 0 GIADRO COc1ccc(CN(C)C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1Cl ZINC000413434315 823777395 /nfs/dbraw/zinc/77/73/95/823777395.db2.gz DKTULEXOBWOJLY-RDJZCZTQSA-N 1 0 393.959 4.143 20 0 GIADRO Cc1ccc(N(C)C(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)cc1Cl ZINC000164102238 823777739 /nfs/dbraw/zinc/77/77/39/823777739.db2.gz BBCUXLPFNXRXKA-UHFFFAOYSA-N 1 0 386.923 4.129 20 0 GIADRO C[C@@H](CNC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)CC(F)(F)F ZINC000413461342 823782365 /nfs/dbraw/zinc/78/23/65/823782365.db2.gz UPPKZXTYEYXOAN-BXUZGUMPSA-N 1 0 399.379 4.196 20 0 GIADRO O=C(NC1(c2ccccc2)CCCC1)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000164172476 823783729 /nfs/dbraw/zinc/78/37/29/823783729.db2.gz ZXIVGPTTYIPCEC-UHFFFAOYSA-N 1 0 392.543 4.090 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@@H](c1cccnc1)C(C)C ZINC000164177588 823783768 /nfs/dbraw/zinc/78/37/68/823783768.db2.gz DGDZXORFDBPXAC-CRAIPNDOSA-N 1 0 389.927 4.490 20 0 GIADRO Cc1nc(C(C)C)sc1[C@H](C)[NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000164236111 823788726 /nfs/dbraw/zinc/78/87/26/823788726.db2.gz SLQMORQKLMVCDT-STQMWFEESA-N 1 0 381.567 4.358 20 0 GIADRO Cc1nc(C(C)C)sc1[C@@H](C)[NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000164235993 823788752 /nfs/dbraw/zinc/78/87/52/823788752.db2.gz SLQMORQKLMVCDT-QWHCGFSZSA-N 1 0 381.567 4.358 20 0 GIADRO CC[C@H](Cc1ccccc1Br)C(=O)N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000413506646 823789215 /nfs/dbraw/zinc/78/92/15/823789215.db2.gz VXPZEVBKSFNIOX-JZXOWHBKSA-N 1 0 395.385 4.349 20 0 GIADRO CC[C@H](Cc1ccccc1Br)C(=O)N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000413506641 823789330 /nfs/dbraw/zinc/78/93/30/823789330.db2.gz VXPZEVBKSFNIOX-JFIYKMOQSA-N 1 0 395.385 4.349 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1)c1cc2c(s1)CCCC2 ZINC000164242826 823789436 /nfs/dbraw/zinc/78/94/36/823789436.db2.gz ZECAYYCVAXFCGS-KBPBESRZSA-N 1 0 378.563 4.410 20 0 GIADRO Cc1ccc(O[C@H](C)C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)cc1 ZINC000126114331 823791651 /nfs/dbraw/zinc/79/16/51/823791651.db2.gz HHWWGWQCHDPFHV-QGZVFWFLSA-N 1 0 386.923 4.310 20 0 GIADRO Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000191839332 823792324 /nfs/dbraw/zinc/79/23/24/823792324.db2.gz PSVOSGLUINXPOR-CQSZACIVSA-N 1 0 395.425 4.083 20 0 GIADRO CC[C@@H](C)N(Cc1ccccc1)C(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000462010630 823793752 /nfs/dbraw/zinc/79/37/52/823793752.db2.gz OSUBHVUTLFAMEE-OAQYLSRUSA-N 1 0 379.548 4.026 20 0 GIADRO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H](CCSC)c1nnc2ccccn21 ZINC000164299041 823794287 /nfs/dbraw/zinc/79/42/87/823794287.db2.gz JODRGPOIILVZQE-RBUKOAKNSA-N 1 0 382.533 4.199 20 0 GIADRO COc1ccccc1CC1CC[NH+](C[C@@H](O)COc2ccccc2Cl)CC1 ZINC000574663699 823794249 /nfs/dbraw/zinc/79/42/49/823794249.db2.gz FKQZSAHZFJYWSW-LJQANCHMSA-N 1 0 389.923 4.043 20 0 GIADRO Cc1nc(C(F)(F)F)sc1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000462013381 823794322 /nfs/dbraw/zinc/79/43/22/823794322.db2.gz FLPKVQWCAHGBAC-HNNXBMFYSA-N 1 0 397.466 4.346 20 0 GIADRO Cc1nc(C(F)(F)F)sc1C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000462013383 823794469 /nfs/dbraw/zinc/79/44/69/823794469.db2.gz FLPKVQWCAHGBAC-OAHLLOKOSA-N 1 0 397.466 4.346 20 0 GIADRO O=C(c1ccc(Oc2ccccc2)cc1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000064333720 823794877 /nfs/dbraw/zinc/79/48/77/823794877.db2.gz HXIUQBBWSSISFQ-UHFFFAOYSA-N 1 0 394.515 4.053 20 0 GIADRO CC[C@@H](C(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1)[NH+](CC)CC ZINC000462019191 823796628 /nfs/dbraw/zinc/79/66/28/823796628.db2.gz XEHBFGDKCCQIOQ-IRXDYDNUSA-N 1 0 391.314 4.153 20 0 GIADRO O=C(C[NH2+]C1(c2ccccc2)CCC1)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000064343707 823797478 /nfs/dbraw/zinc/79/74/78/823797478.db2.gz OEDPSFJHGUXFKR-IBGZPJMESA-N 1 0 389.455 4.219 20 0 GIADRO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000462023260 823798629 /nfs/dbraw/zinc/79/86/29/823798629.db2.gz KBZGVIRJYQUTQW-IBGZPJMESA-N 1 0 391.515 4.165 20 0 GIADRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000413573323 823798921 /nfs/dbraw/zinc/79/89/21/823798921.db2.gz CJNWGPXKNYGZRL-VXKWHMMOSA-N 1 0 399.579 4.060 20 0 GIADRO C[C@@H](C(=O)N1CCC[C@H]1C[NH+]1CCCCC1)c1cccc(Br)c1 ZINC000462028278 823801716 /nfs/dbraw/zinc/80/17/16/823801716.db2.gz CXHHKDWBXICPMR-QAPCUYQASA-N 1 0 379.342 4.030 20 0 GIADRO C[C@H](C(=O)N1CCC[C@H]1C[NH+]1CCCCC1)c1cccc(Br)c1 ZINC000462028279 823801798 /nfs/dbraw/zinc/80/17/98/823801798.db2.gz CXHHKDWBXICPMR-YJBOKZPZSA-N 1 0 379.342 4.030 20 0 GIADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H](c2ccc(F)cc2)C2CCCC2)c1 ZINC000164407346 823801762 /nfs/dbraw/zinc/80/17/62/823801762.db2.gz ZVUYSHANQAMMHM-VFNWGFHPSA-N 1 0 390.524 4.316 20 0 GIADRO Cc1ncc([C@H](C)[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)c(C)n1 ZINC000126158634 823802501 /nfs/dbraw/zinc/80/25/01/823802501.db2.gz CPIOCUNBZMRKFS-INIZCTEOSA-N 1 0 384.487 4.192 20 0 GIADRO Cc1nc(-c2ccc(CC[NH2+]C3CCN(CC(F)(F)F)CC3)s2)cs1 ZINC000164464860 823803732 /nfs/dbraw/zinc/80/37/32/823803732.db2.gz FMLNTLBSHBFPIX-UHFFFAOYSA-N 1 0 389.512 4.339 20 0 GIADRO O=C(C[C@H]1CCCN1C(=O)c1cccc(C[NH+]2CCCCC2)c1)c1ccco1 ZINC000413614963 823803916 /nfs/dbraw/zinc/80/39/16/823803916.db2.gz HRNYEECZISHYRU-HXUWFJFHSA-N 1 0 380.488 4.143 20 0 GIADRO Cc1nc(-c2ccc(CC[NH2+][C@@H](C)c3cccc(-n4cnnn4)c3)s2)cs1 ZINC000164462776 823803867 /nfs/dbraw/zinc/80/38/67/823803867.db2.gz DPCARGOEGKAREK-ZDUSSCGKSA-N 1 0 396.545 4.049 20 0 GIADRO CC[NH+]1CCC(CNC(=O)Nc2ccc(OC)c(Cc3ccccc3)c2)CC1 ZINC000574706209 823804465 /nfs/dbraw/zinc/80/44/65/823804465.db2.gz JCTLUOSHKARCJA-UHFFFAOYSA-N 1 0 381.520 4.139 20 0 GIADRO O=C(c1cc(-c2ccccc2C(F)(F)F)on1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000462033838 823804528 /nfs/dbraw/zinc/80/45/28/823804528.db2.gz UMYNCOHXCNXCAP-AWEZNQCLSA-N 1 0 393.409 4.061 20 0 GIADRO COc1ccc(-c2noc(C[NH2+][C@@H]3CCC[C@@H]3Cc3ccccc3)n2)c(OC)c1 ZINC000191891049 823805308 /nfs/dbraw/zinc/80/53/08/823805308.db2.gz MBEMOOGNXGJEHE-YLJYHZDGSA-N 1 0 393.487 4.255 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000164501042 823805546 /nfs/dbraw/zinc/80/55/46/823805546.db2.gz MZKWQMSENLRACW-ZDUSSCGKSA-N 1 0 386.439 4.318 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)c2ccccc2C(=O)c2ccccc2)CC1 ZINC000064381761 823805766 /nfs/dbraw/zinc/80/57/66/823805766.db2.gz JHSAKQKIEDDMEV-UHFFFAOYSA-N 1 0 378.516 4.110 20 0 GIADRO C[NH+](C)C[C@H](NC(=O)c1[nH]c2ccc(F)cc2c1Cl)c1ccc(F)cc1 ZINC000574717568 823807907 /nfs/dbraw/zinc/80/79/07/823807907.db2.gz MVXAOEAIDCREGQ-INIZCTEOSA-N 1 0 377.822 4.132 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000164546509 823808186 /nfs/dbraw/zinc/80/81/86/823808186.db2.gz ABMCSMDETXJAQW-BBRMVZONSA-N 1 0 388.537 4.174 20 0 GIADRO COc1ccc(C[NH2+][C@H](C)c2sc(-c3cccnc3)nc2C)c(OC)c1OC ZINC000164569886 823808918 /nfs/dbraw/zinc/80/89/18/823808918.db2.gz ZCJWYHAFMIGGAE-CYBMUJFWSA-N 1 0 399.516 4.390 20 0 GIADRO CC[C@@H](NC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000413644415 823808928 /nfs/dbraw/zinc/80/89/28/823808928.db2.gz WNXCFEITZRPWMY-JOCHJYFZSA-N 1 0 380.536 4.481 20 0 GIADRO O=C(Nc1ccccc1)c1cccc(C[N@@H+]2CCCN(c3nccs3)CC2)c1 ZINC000064401257 823811963 /nfs/dbraw/zinc/81/19/63/823811963.db2.gz YQCSJSGOACVZBE-UHFFFAOYSA-N 1 0 392.528 4.108 20 0 GIADRO CCCOc1cc(OC)ccc1C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000191924550 823812600 /nfs/dbraw/zinc/81/26/00/823812600.db2.gz IHYFDFFVPSRBQM-HXUWFJFHSA-N 1 0 396.531 4.078 20 0 GIADRO [NH3+][C@@H](CNC(=O)N(Cc1cccs1)C1Cc2ccccc2C1)c1ccccc1 ZINC000574742169 823815641 /nfs/dbraw/zinc/81/56/41/823815641.db2.gz BJPLJOFQWQHUHG-QFIPXVFZSA-N 1 0 391.540 4.127 20 0 GIADRO CCC(CC)[C@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)NC)cc1)c1cccs1 ZINC000164721937 823817215 /nfs/dbraw/zinc/81/72/15/823817215.db2.gz KXXOZULYPPGIMC-KUHUBIRLSA-N 1 0 380.579 4.484 20 0 GIADRO Cc1ccc(Br)c(C)c1C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000574746580 823817765 /nfs/dbraw/zinc/81/77/65/823817765.db2.gz STABFHZETWHZFN-AWEZNQCLSA-N 1 0 381.358 4.308 20 0 GIADRO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H](C)Oc1cccc(Cl)c1Cl ZINC000064441686 823819545 /nfs/dbraw/zinc/81/95/45/823819545.db2.gz ODMFOLSRNSRYSB-UONOGXRCSA-N 1 0 375.340 4.387 20 0 GIADRO O=C(NC[C@H]1CCC[N@H+](Cc2ccnn2C2CCCC2)C1)Nc1cccc(F)c1 ZINC000574756700 823819757 /nfs/dbraw/zinc/81/97/57/823819757.db2.gz MKDSOWROVAXCGR-QGZVFWFLSA-N 1 0 399.514 4.171 20 0 GIADRO CC1(C)Oc2ccsc2[C@@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)[C@@H]1O ZINC000574756505 823819941 /nfs/dbraw/zinc/81/99/41/823819941.db2.gz ZQPANEJQMQACAV-QFUCXCTJSA-N 1 0 398.572 4.108 20 0 GIADRO CC[C@@H](CC1CCCC1)C(=O)N(C)C[C@@H]1CCC[N@H+](CC)[C@H]1c1cnn(C)c1 ZINC000413713489 823823402 /nfs/dbraw/zinc/82/34/02/823823402.db2.gz MHJQGEOUUQHZBT-JAXLGGSGSA-N 1 0 388.600 4.258 20 0 GIADRO COc1ccccc1[C@H]1[C@@H]([NH3+])CCCN1C(=O)[C@@H](C)CCc1ccccc1F ZINC000574775095 823823763 /nfs/dbraw/zinc/82/37/63/823823763.db2.gz ONUSGTLYWGBESW-BUKVSMQUSA-N 1 0 384.495 4.094 20 0 GIADRO COc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C(F)(F)F)cc2)c(F)c1 ZINC000064470659 823825322 /nfs/dbraw/zinc/82/53/22/823825322.db2.gz VQSHYWWGNJJCOJ-UHFFFAOYSA-N 1 0 398.400 4.057 20 0 GIADRO C[C@H]([NH2+]C[C@@H]1CCCN(C)[C@@H]1c1cccs1)c1ccc(N2CCOC2=O)cc1 ZINC000164955809 823826869 /nfs/dbraw/zinc/82/68/69/823826869.db2.gz XOAMNLCGMIZCHZ-MDKPJZGXSA-N 1 0 399.560 4.438 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)Nc1cccnc1C(F)(F)F ZINC000574792516 823827674 /nfs/dbraw/zinc/82/76/74/823827674.db2.gz SYKOPHUUSYPTCB-AWEZNQCLSA-N 1 0 382.386 4.042 20 0 GIADRO O=C(NCc1ccco1)c1cccc(CNC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000164978857 823827827 /nfs/dbraw/zinc/82/78/27/823827827.db2.gz XIQSGOKCGQGJKI-UHFFFAOYSA-N 1 0 395.547 4.096 20 0 GIADRO C[C@H](NC(=O)N1CCC([N@@H+]2CCC[C@@H]2C)CC1)c1cccc(OC(F)F)c1 ZINC000126281933 823828698 /nfs/dbraw/zinc/82/86/98/823828698.db2.gz HKCIRZOGKSPART-GJZGRUSLSA-N 1 0 381.467 4.007 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(C(=O)NCc2ccco2)c1)c1ccc(F)cc1N(C)C ZINC000165027320 823830446 /nfs/dbraw/zinc/83/04/46/823830446.db2.gz OTTQHMHWCQNXOI-INIZCTEOSA-N 1 0 395.478 4.266 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)N1CCC[C@H]1[C@@H]1CCCOC1 ZINC000574806836 823832940 /nfs/dbraw/zinc/83/29/40/823832940.db2.gz WVQHMPVFYPBAMG-PKTZIBPZSA-N 1 0 399.579 4.163 20 0 GIADRO C[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)CC(F)(F)F ZINC000413751330 823833816 /nfs/dbraw/zinc/83/38/16/823833816.db2.gz UOWGHXDHCQRZJF-QXAKKESOSA-N 1 0 397.485 4.271 20 0 GIADRO COc1ccc(CCCC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000064521174 823834839 /nfs/dbraw/zinc/83/48/39/823834839.db2.gz PGEVKCFKDQFGPN-IBGZPJMESA-N 1 0 386.561 4.108 20 0 GIADRO O=C(c1cccc(C[NH+]2CCCC2)c1)N1CCCCC[C@@H]1[C@H]1CCCCC1=O ZINC000126305901 823835046 /nfs/dbraw/zinc/83/50/46/823835046.db2.gz IQSATDWHQLEKHM-FGZHOGPDSA-N 1 0 382.548 4.427 20 0 GIADRO O=C(c1cccc(C[NH+]2CCCC2)c1)N1CCCCC[C@@H]1[C@@H]1CCCCC1=O ZINC000126305498 823835331 /nfs/dbraw/zinc/83/53/31/823835331.db2.gz IQSATDWHQLEKHM-FCHUYYIVSA-N 1 0 382.548 4.427 20 0 GIADRO C[C@H](SCc1ccccc1)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000064521347 823835513 /nfs/dbraw/zinc/83/55/13/823835513.db2.gz KCDZOHUDQWWGAB-HKUYNNGSSA-N 1 0 388.602 4.398 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CCc1cccc(C(=O)N(C)C)c1 ZINC000165137025 823835548 /nfs/dbraw/zinc/83/55/48/823835548.db2.gz VWOJJVJLSCICOT-HNNXBMFYSA-N 1 0 394.544 4.109 20 0 GIADRO Cc1c2cc(Br)ccc2oc1C(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000574832054 823836783 /nfs/dbraw/zinc/83/67/83/823836783.db2.gz OMSMILMRMKNQPO-SWLSCSKDSA-N 1 0 391.309 4.203 20 0 GIADRO Cc1c2cc(Br)ccc2oc1C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000574832055 823836965 /nfs/dbraw/zinc/83/69/65/823836965.db2.gz OMSMILMRMKNQPO-WFASDCNBSA-N 1 0 391.309 4.203 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000126313469 823837052 /nfs/dbraw/zinc/83/70/52/823837052.db2.gz OAYZHJJGJLBXGJ-ZCYQVOJMSA-N 1 0 389.543 4.051 20 0 GIADRO CC[C@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)c1ccc(OC(F)F)cc1 ZINC000165165333 823837510 /nfs/dbraw/zinc/83/75/10/823837510.db2.gz IDUGCFNDVVOBLD-IBGZPJMESA-N 1 0 376.447 4.273 20 0 GIADRO CC(C)OCc1cccc(NC(=O)N(CCc2ccccc2)CC[NH+](C)C)c1 ZINC000064534512 823838934 /nfs/dbraw/zinc/83/89/34/823838934.db2.gz BSHKTUYRHDFAOT-UHFFFAOYSA-N 1 0 383.536 4.250 20 0 GIADRO CCOC(=O)c1csc(C2CC[NH+](Cc3cc(Cl)ccc3O)CC2)n1 ZINC000192036374 823839211 /nfs/dbraw/zinc/83/92/11/823839211.db2.gz KTDBCFNUWCZZFF-UHFFFAOYSA-N 1 0 380.897 4.058 20 0 GIADRO Cc1nn(-c2cc[nH+]cc2)cc1[C@@H]1Nc2ccc(Cl)cc2C(=O)N1CC1CC1 ZINC000574841045 823839842 /nfs/dbraw/zinc/83/98/42/823839842.db2.gz YLYHFIGPDFRIBZ-HXUWFJFHSA-N 1 0 393.878 4.206 20 0 GIADRO CCOC(=O)c1csc(C2CC[NH+](Cc3c[nH]nc3-c3ccccc3)CC2)n1 ZINC000192036767 823839834 /nfs/dbraw/zinc/83/98/34/823839834.db2.gz LQRPPXBNPZLUAO-UHFFFAOYSA-N 1 0 396.516 4.090 20 0 GIADRO CCc1ccc([C@H](COC)[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)o1 ZINC000165204398 823840024 /nfs/dbraw/zinc/84/00/24/823840024.db2.gz WWBMTYUJJJIHKE-IBGZPJMESA-N 1 0 390.911 4.077 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)C(=O)Nc1ccc(F)c(F)c1 ZINC000192040585 823841076 /nfs/dbraw/zinc/84/10/76/823841076.db2.gz XSZVPYNZXVAOAK-UZCIPKQKSA-N 1 0 380.822 4.065 20 0 GIADRO COc1ccc(Cc2nc(C)c([C@H](C)[NH2+][C@H]3CCCC[C@@H]3O)s2)cc1OC ZINC000165276744 823842166 /nfs/dbraw/zinc/84/21/66/823842166.db2.gz YVUUMYPLHIJAHK-JQFCIGGWSA-N 1 0 390.549 4.014 20 0 GIADRO C[C@H]([C@@H]1CCC[N@@H+](C2CCC2)C1)N1C(=O)N[C@H](c2ccc3ccccc3c2)C1=O ZINC000574852736 823843574 /nfs/dbraw/zinc/84/35/74/823843574.db2.gz YXZPFMVPMMNRIZ-BSLALVQMSA-N 1 0 391.515 4.086 20 0 GIADRO CC(C)[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000462146238 823844194 /nfs/dbraw/zinc/84/41/94/823844194.db2.gz MOUREJSZSBWFHC-HXUWFJFHSA-N 1 0 378.944 4.078 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1C ZINC000126347929 823845364 /nfs/dbraw/zinc/84/53/64/823845364.db2.gz BQMWYOULHYEPQD-UHFFFAOYSA-N 1 0 394.519 4.261 20 0 GIADRO CSc1ccc(Cl)cc1NC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000064562787 823846281 /nfs/dbraw/zinc/84/62/81/823846281.db2.gz NMRMQCOKAWUKPC-UHFFFAOYSA-N 1 0 390.940 4.243 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]C2CCN(Cc3ccc(F)cc3)CC2)cc1NC(C)=O ZINC000165382570 823846572 /nfs/dbraw/zinc/84/65/72/823846572.db2.gz BTVBQTXYAOAIEJ-MRXNPFEDSA-N 1 0 399.510 4.108 20 0 GIADRO COc1cccc([C@@H](CNC(=O)Nc2cc(Cl)ccc2SC)[NH+](C)C)c1 ZINC000064563403 823846635 /nfs/dbraw/zinc/84/66/35/823846635.db2.gz RJYZORZUBQDGAN-QGZVFWFLSA-N 1 0 393.940 4.495 20 0 GIADRO CC(C)[C@H](O)CC[NH2+][C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000165406640 823847762 /nfs/dbraw/zinc/84/77/62/823847762.db2.gz VIUDNHZSJJIMNX-RBUKOAKNSA-N 1 0 377.326 4.125 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Nc1cccc(NC(C)=O)c1C)c1ccccc1 ZINC000126358138 823848073 /nfs/dbraw/zinc/84/80/73/823848073.db2.gz YXBIIZBKMPDLAZ-OAQYLSRUSA-N 1 0 382.508 4.158 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cccc(-c2cscn2)c1 ZINC000462159761 823848873 /nfs/dbraw/zinc/84/88/73/823848873.db2.gz SHOAXJVAVHNOKR-OXJNMPFZSA-N 1 0 377.513 4.060 20 0 GIADRO COc1cccc(OC)c1Oc1ccc(C[NH2+][C@H]2CC(C)(C)OC2(C)C)cn1 ZINC000165439419 823848966 /nfs/dbraw/zinc/84/89/66/823848966.db2.gz NWGNSHOFJIBUEI-SFHVURJKSA-N 1 0 386.492 4.327 20 0 GIADRO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)cc2)c(F)c1 ZINC000192066324 823849132 /nfs/dbraw/zinc/84/91/32/823849132.db2.gz JUWYUKVWYCNXNQ-FASAQXTFSA-N 1 0 376.859 4.234 20 0 GIADRO Cc1c(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)cccc1-c1ncco1 ZINC000574886783 823851861 /nfs/dbraw/zinc/85/18/61/823851861.db2.gz VSGXYZBGSDXGIW-UTKZUKDTSA-N 1 0 390.487 4.435 20 0 GIADRO Cc1c(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cccc1-c1ncco1 ZINC000574886784 823852035 /nfs/dbraw/zinc/85/20/35/823852035.db2.gz VSGXYZBGSDXGIW-UWJYYQICSA-N 1 0 390.487 4.435 20 0 GIADRO O=C(CC[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)Nc1ccc(F)cc1 ZINC000192077173 823852360 /nfs/dbraw/zinc/85/23/60/823852360.db2.gz BCZHTQHPEPEBJG-IEBWSBKVSA-N 1 0 380.822 4.067 20 0 GIADRO CN(C(=O)c1cc2c(cccc2F)[nH]1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000126383096 823853007 /nfs/dbraw/zinc/85/30/07/823853007.db2.gz DBPJIUUJCISSTD-UHFFFAOYSA-N 1 0 381.451 4.058 20 0 GIADRO Cc1ccccc1NC(=O)CC[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000192079846 823853561 /nfs/dbraw/zinc/85/35/61/823853561.db2.gz ASBWRTKVMCDKFG-ICSRJNTNSA-N 1 0 376.859 4.236 20 0 GIADRO COc1cc2c(cc1CNC[C@@H]1CCC[N@H+](Cc3cccs3)C1)O[C@H](C)C2 ZINC000064615953 823853669 /nfs/dbraw/zinc/85/36/69/823853669.db2.gz GYYYGXROAWPRKL-SJORKVTESA-N 1 0 386.561 4.082 20 0 GIADRO CN(C(=O)Nc1ccc(Cl)cc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000165548450 823853784 /nfs/dbraw/zinc/85/37/84/823853784.db2.gz SZNFHBUCDRJGKX-PMACEKPBSA-N 1 0 392.975 4.141 20 0 GIADRO CCc1cccc(C)c1NC(=O)C[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000192081795 823853965 /nfs/dbraw/zinc/85/39/65/823853965.db2.gz ZLPWYQPZNMQWRQ-RXVVDRJESA-N 1 0 390.886 4.408 20 0 GIADRO Cc1ccc(NC(=O)C[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c(Cl)c1 ZINC000192086707 823855630 /nfs/dbraw/zinc/85/56/30/823855630.db2.gz IZSXLNAXZBTKHE-IEBWSBKVSA-N 1 0 397.277 4.499 20 0 GIADRO O=C(NCc1ccc(Cl)s1)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000064644015 823856282 /nfs/dbraw/zinc/85/62/82/823856282.db2.gz HYNWBKSEYNPVDN-CYBMUJFWSA-N 1 0 383.970 4.174 20 0 GIADRO CC(=O)Nc1ccc(CC[NH2+][C@H](C)c2nnn(-c3ccc(Cl)cc3)c2C)cc1 ZINC000165651146 823856835 /nfs/dbraw/zinc/85/68/35/823856835.db2.gz NMIMYNPCUUIAJN-CQSZACIVSA-N 1 0 397.910 4.081 20 0 GIADRO Cc1csc(Sc2ccc(NC(=O)NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)cc2)n1 ZINC000574900121 823856799 /nfs/dbraw/zinc/85/67/99/823856799.db2.gz JADBTWTZZGZXET-MQVJKMGUSA-N 1 0 388.562 4.349 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)c1ccc(OC)cc1)c1ccccc1OCC(=O)N1CCCC1 ZINC000165661734 823857322 /nfs/dbraw/zinc/85/73/22/823857322.db2.gz HQPSUHZQLWHLMD-AVRDEDQJSA-N 1 0 396.531 4.498 20 0 GIADRO CC(C)[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000462181728 823857643 /nfs/dbraw/zinc/85/76/43/823857643.db2.gz QRGSARPHWHJYPS-YLJYHZDGSA-N 1 0 378.944 4.078 20 0 GIADRO CCc1nc(C)c([C@@H](C)[NH2+][C@@H](CC)c2ccccc2OCC(=O)N(C)C)s1 ZINC000165671854 823857938 /nfs/dbraw/zinc/85/79/38/823857938.db2.gz UXEQYCFFSSXFJV-PBHICJAKSA-N 1 0 389.565 4.283 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(-c3ccccc3C(F)(F)F)on2)C1 ZINC000462183219 823858642 /nfs/dbraw/zinc/85/86/42/823858642.db2.gz BJBCQLJNRUGLCR-AWEZNQCLSA-N 1 0 395.425 4.164 20 0 GIADRO CC[C@H]([NH2+][C@H](C)c1cc(F)c(F)c(F)c1)c1ccccc1OCC(=O)N(C)C ZINC000165686157 823858955 /nfs/dbraw/zinc/85/89/55/823858955.db2.gz WBOHCZQVOHOOCM-ACJLOTCBSA-N 1 0 394.437 4.373 20 0 GIADRO C[C@H](CC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(F)c(Br)c1 ZINC000462185672 823859436 /nfs/dbraw/zinc/85/94/36/823859436.db2.gz FYWMBELMVXDGAP-SNPRPXQTSA-N 1 0 385.321 4.071 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)NCC(C)(C)c2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000413889198 823860007 /nfs/dbraw/zinc/86/00/07/823860007.db2.gz MYRCZJVIQNZALV-DENIHFKCSA-N 1 0 394.563 4.054 20 0 GIADRO COC[C@H]([NH2+]Cc1ccc(-n2ccnc2C)nc1)c1cccc(C(F)(F)F)c1 ZINC000126416675 823861804 /nfs/dbraw/zinc/86/18/04/823861804.db2.gz KWGKTFQCQCBINA-SFHVURJKSA-N 1 0 390.409 4.072 20 0 GIADRO CC[C@@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1)CC(F)(F)F ZINC000413895667 823861925 /nfs/dbraw/zinc/86/19/25/823861925.db2.gz ASHJIOLIBHOARP-CYBMUJFWSA-N 1 0 395.416 4.017 20 0 GIADRO Cc1ccc(Nc2cccc(C(=O)Nc3ccc(C[NH+]4CCCC4)cc3)c2)nn1 ZINC000126420403 823862307 /nfs/dbraw/zinc/86/23/07/823862307.db2.gz ZVSUQGDMBZONRM-UHFFFAOYSA-N 1 0 387.487 4.377 20 0 GIADRO CCc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000574929219 823862507 /nfs/dbraw/zinc/86/25/07/823862507.db2.gz USZFPGSFVQDDCS-VCFYHUQZSA-N 1 0 376.544 4.379 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(CCC(F)(F)F)cc1 ZINC000462193091 823863243 /nfs/dbraw/zinc/86/32/43/823863243.db2.gz VNFPECWCSBKNOC-OXJNMPFZSA-N 1 0 390.449 4.432 20 0 GIADRO COc1ccc(C(=O)Nc2ccc(CC[NH+](C)C)cc2)cc1-c1ccccn1 ZINC000165789252 823863293 /nfs/dbraw/zinc/86/32/93/823863293.db2.gz HWNXEIMEFYQWRK-UHFFFAOYSA-N 1 0 375.472 4.114 20 0 GIADRO C[C@H](Cc1cncc2ccccc21)C(=O)Nc1ccc(OCC[NH+](C)C)cc1F ZINC000413915997 823865083 /nfs/dbraw/zinc/86/50/83/823865083.db2.gz OGLOQIVISLXEBU-MRXNPFEDSA-N 1 0 395.478 4.132 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)c(F)c1 ZINC000413917522 823865721 /nfs/dbraw/zinc/86/57/21/823865721.db2.gz QFBYQCDNALBNSV-DLBZAZTESA-N 1 0 376.859 4.162 20 0 GIADRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(NS(C)(=O)=O)cc2)c(OC(C)(C)C)c1 ZINC000165903011 823865998 /nfs/dbraw/zinc/86/59/98/823865998.db2.gz MFUKPWYZDBVOCH-INIZCTEOSA-N 1 0 390.549 4.395 20 0 GIADRO CCn1c(C[NH2+][C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)nc2c1cccc2F ZINC000192121909 823867089 /nfs/dbraw/zinc/86/70/89/823867089.db2.gz YDJGUDWMOTWAQU-OXQOHEQNSA-N 1 0 375.394 4.093 20 0 GIADRO CC(C)C1CCC(C[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4cnccn4)no3)C2)CC1 ZINC000574943961 823867045 /nfs/dbraw/zinc/86/70/45/823867045.db2.gz WGDHFFNIAUKAND-LDSCCMFQSA-N 1 0 395.551 4.343 20 0 GIADRO CCc1nc2c(s1)[C@@H](N[C@H](CC[N@H+](C)CCOC)c1ccccc1)CCC2 ZINC000165994448 823868034 /nfs/dbraw/zinc/86/80/34/823868034.db2.gz YAJDSCJFKFSKFY-MOPGFXCFSA-N 1 0 387.593 4.382 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)Cn1ccc2ccc(Cl)cc21 ZINC000064712721 823869152 /nfs/dbraw/zinc/86/91/52/823869152.db2.gz RGBILQFUKFIUCZ-UHFFFAOYSA-N 1 0 383.923 4.453 20 0 GIADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)C[C@H](C)c2ccc(F)c(Br)c2)C1 ZINC000462204362 823869295 /nfs/dbraw/zinc/86/92/95/823869295.db2.gz UZTUKAFGOGNDLY-GJZGRUSLSA-N 1 0 399.348 4.272 20 0 GIADRO COc1ccc([C@H](C)CC[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)cc1 ZINC000166091913 823869599 /nfs/dbraw/zinc/86/95/99/823869599.db2.gz UPKJMFSKBJZOKX-CABCVRRESA-N 1 0 379.497 4.082 20 0 GIADRO c1cn(Cc2ccccc2)c(CC[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)n1 ZINC000166105929 823869967 /nfs/dbraw/zinc/86/99/67/823869967.db2.gz NUAAYNZMNMMTNU-GMAHTHKFSA-N 1 0 375.516 4.231 20 0 GIADRO FC(F)(F)COc1cc(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)ccn1 ZINC000166155621 823870968 /nfs/dbraw/zinc/87/09/68/823870968.db2.gz LTTVKNUKUATSAZ-WMZOPIPTSA-N 1 0 380.410 4.280 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@@H]2CCO[C@@H](c3ccnn3C)C2)cnn1-c1cccc(Cl)c1 ZINC000574958714 823871724 /nfs/dbraw/zinc/87/17/24/823871724.db2.gz UUWPXZCJSXDLRG-AVBTWRTFSA-N 1 0 399.926 4.139 20 0 GIADRO Cc1cc(C)n(-c2ccc(C[NH2+][C@H](C[C@@H]3CCOC3)c3ccccc3)cn2)n1 ZINC000166208307 823872320 /nfs/dbraw/zinc/87/23/20/823872320.db2.gz WPGPPCSEZABKKB-SIKLNZKXSA-N 1 0 376.504 4.142 20 0 GIADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2ccc(F)cc2Br)C1 ZINC000064726403 823872606 /nfs/dbraw/zinc/87/26/06/823872606.db2.gz DOOVPHPLHZVYFD-VNHYZAJKSA-N 1 0 383.305 4.066 20 0 GIADRO Cc1noc(C)c1CC[N@@H+]1CCC[C@H]1c1ccc(I)cc1 ZINC000166209231 823872825 /nfs/dbraw/zinc/87/28/25/823872825.db2.gz SRGDVSSTDQDNLA-KRWDZBQOSA-N 1 0 396.272 4.276 20 0 GIADRO CCCOc1ccccc1Oc1ncccc1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166217207 823872888 /nfs/dbraw/zinc/87/28/88/823872888.db2.gz SRVRTHZMZFEZNZ-WOJBJXKFSA-N 1 0 381.520 4.379 20 0 GIADRO Fc1ccc([C@H]2OCC[C@H]2[NH2+]Cc2ccn(-c3c(F)cccc3F)n2)cc1F ZINC000192138310 823875631 /nfs/dbraw/zinc/87/56/31/823875631.db2.gz OOCMFISEAXMAFT-UYAOXDASSA-N 1 0 391.368 4.049 20 0 GIADRO COc1ccccc1CC(=O)N1CCC([NH2+][C@@H]2CCCc3ccc(C)cc32)CC1 ZINC000166413289 823877241 /nfs/dbraw/zinc/87/72/41/823877241.db2.gz XDOPRTIMIWNHGH-HSZRJFAPSA-N 1 0 392.543 4.204 20 0 GIADRO C[C@H](CO[C@H]1CCOC1)[NH2+][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000166523209 823878868 /nfs/dbraw/zinc/87/88/68/823878868.db2.gz YNNKTQPMPLWSHO-XOKHGSTOSA-N 1 0 376.497 4.110 20 0 GIADRO Cc1nc(-c2cc([C@@H](C)[NH2+][C@@H]3CCCN(c4cnn(C)c4)C3)cs2)cs1 ZINC000166552142 823878963 /nfs/dbraw/zinc/87/89/63/823878963.db2.gz NCOXSXDNFKSPOK-CZUORRHYSA-N 1 0 387.578 4.233 20 0 GIADRO COc1cc(OC)c(CC[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)c(OC)c1 ZINC000166544833 823879013 /nfs/dbraw/zinc/87/90/13/823879013.db2.gz MFQIOFYFZWTWLX-LAUBAEHRSA-N 1 0 385.504 4.012 20 0 GIADRO CCn1c(C[NH2+][C@H]2CCO[C@H]2c2ccc(F)c(F)c2)nc2cc(F)ccc21 ZINC000192144452 823878905 /nfs/dbraw/zinc/87/89/05/823878905.db2.gz WSZIBTPAUGLMDM-JXFKEZNVSA-N 1 0 375.394 4.093 20 0 GIADRO Cc1nc(CN2CCC(C[NH2+][C@@H](C[C@@H]3CCOC3)c3ccccc3)CC2)oc1C ZINC000166581146 823879533 /nfs/dbraw/zinc/87/95/33/823879533.db2.gz QYJUWFQYJPQTID-GMAHTHKFSA-N 1 0 397.563 4.261 20 0 GIADRO CC(=O)c1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc(N3CCCC3)c2)cc1 ZINC000126479614 823879514 /nfs/dbraw/zinc/87/95/14/823879514.db2.gz NCAVXHVWSZGOFG-DLBZAZTESA-N 1 0 379.504 4.167 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)N[C@@H]2CCC[C@H](c3nc4ccccc4[nH]3)C2)CC1 ZINC000574985863 823879669 /nfs/dbraw/zinc/87/96/69/823879669.db2.gz GVXRKGQASVIPIM-RBUKOAKNSA-N 1 0 397.567 4.010 20 0 GIADRO O=C(NCCC[NH2+]C1CCCCC1)NC[C@@H](Cc1ccccc1)C(F)(F)F ZINC000462223227 823879780 /nfs/dbraw/zinc/87/97/80/823879780.db2.gz JCIZRYNEGUMQQO-QGZVFWFLSA-N 1 0 385.474 4.019 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)N[C@H]2CCC[C@H](c3nc4ccccc4[nH]3)C2)CC1 ZINC000574985862 823879783 /nfs/dbraw/zinc/87/97/83/823879783.db2.gz GVXRKGQASVIPIM-OALUTQOASA-N 1 0 397.567 4.010 20 0 GIADRO O=C(NCCC[NH2+]C1CCCCC1)NC[C@H](Cc1ccccc1)C(F)(F)F ZINC000462223226 823879877 /nfs/dbraw/zinc/87/98/77/823879877.db2.gz JCIZRYNEGUMQQO-KRWDZBQOSA-N 1 0 385.474 4.019 20 0 GIADRO Cc1nccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2OC(F)F)cn1 ZINC000126483886 823880545 /nfs/dbraw/zinc/88/05/45/823880545.db2.gz YGYUJCRADVDLKL-LBPRGKRZSA-N 1 0 376.382 4.167 20 0 GIADRO O=C(NC[C@@H](Cc1ccccc1)C(F)(F)F)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000462225800 823881315 /nfs/dbraw/zinc/88/13/15/823881315.db2.gz OLBUDDUHVNAEHP-RTBURBONSA-N 1 0 397.485 4.068 20 0 GIADRO CN(C)c1ccc(N2CCC([NH2+][C@H](C[C@H]3CCOC3)c3ccccc3)CC2)cc1 ZINC000166714621 823881937 /nfs/dbraw/zinc/88/19/37/823881937.db2.gz HDNRCOUAXJSNEC-CJFMBICVSA-N 1 0 393.575 4.479 20 0 GIADRO COc1cc([C@@H](C)[NH2+]C[C@H]2CC3(CCC3)C(=O)O2)ccc1OCCC(C)C ZINC000192152382 823881992 /nfs/dbraw/zinc/88/19/92/823881992.db2.gz CFEHVTZSLPWFSQ-SJLPKXTDSA-N 1 0 375.509 4.257 20 0 GIADRO C[C@@H]([NH2+]CCOc1ccc(Cl)c(F)c1)c1ccc(N2CCOC2=O)cc1 ZINC000192154294 823883002 /nfs/dbraw/zinc/88/30/02/823883002.db2.gz IPEJTYGTQFSTDU-CYBMUJFWSA-N 1 0 378.831 4.165 20 0 GIADRO Cc1ccc(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)c(O[C@@H]2CCOC2)c1 ZINC000166838681 823883506 /nfs/dbraw/zinc/88/35/06/823883506.db2.gz FKZSGRPFRZYASR-WWPVKYPJSA-N 1 0 381.516 4.420 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000126499663 823884686 /nfs/dbraw/zinc/88/46/86/823884686.db2.gz MTPFBCFFPILHIP-UHFFFAOYSA-N 1 0 392.330 4.306 20 0 GIADRO Nc1c(Cl)cc(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)cc1Cl ZINC000126501900 823885220 /nfs/dbraw/zinc/88/52/20/823885220.db2.gz MUQPQIZELFNWEI-UHFFFAOYSA-N 1 0 396.343 4.377 20 0 GIADRO CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3ccc(-n4ccnc4)cc3C)ccc2NC1=O ZINC000192159770 823885290 /nfs/dbraw/zinc/88/52/90/823885290.db2.gz LGWROGFYULNDSO-IIBYNOLFSA-N 1 0 390.487 4.141 20 0 GIADRO Cc1ccccc1[C@H](OC[C@H](O)C[N@@H+]1CCCO[C@@H](C(C)C)C1)c1ccccc1 ZINC000575006493 823885724 /nfs/dbraw/zinc/88/57/24/823885724.db2.gz AJRSSJSPRDDVAA-QLBJFCOMSA-N 1 0 397.559 4.209 20 0 GIADRO O[C@H](C[NH2+][C@@H]1CCCOc2ccc(F)cc21)CO[C@@H]1CCCc2ccccc21 ZINC000575009847 823886324 /nfs/dbraw/zinc/88/63/24/823886324.db2.gz TWFPWPYWLZUPNZ-STZQEDGTSA-N 1 0 385.479 4.084 20 0 GIADRO C[C@@H](C(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1c(F)cccc1F ZINC000126506476 823886649 /nfs/dbraw/zinc/88/66/49/823886649.db2.gz YTKRQAFASBIQFD-CQSZACIVSA-N 1 0 376.472 4.256 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccccc1C(F)(F)F ZINC000462233441 823886966 /nfs/dbraw/zinc/88/69/66/823886966.db2.gz QMXLFXXXCDSPOE-KSSFIOAISA-N 1 0 377.410 4.347 20 0 GIADRO CC[N@@H+]1CC[C@@H](NC(=O)Cc2sc(-c3ccccc3)nc2-c2cccs2)C1 ZINC000414004512 823887617 /nfs/dbraw/zinc/88/76/17/823887617.db2.gz JCBAMGPBFVFTCE-MRXNPFEDSA-N 1 0 397.569 4.292 20 0 GIADRO CC(C)(NC(=O)NC1CCN(Cc2coc(-c3ccccc3)n2)CC1)C1CCC1 ZINC000575013265 823887781 /nfs/dbraw/zinc/88/77/81/823887781.db2.gz KDGPPHKNTIWHNM-UHFFFAOYSA-N 1 0 396.535 4.184 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)c(CC(=O)NCC[N@@H+](C)Cc2ccccc2)s1 ZINC000064805048 823888467 /nfs/dbraw/zinc/88/84/67/823888467.db2.gz OTMITTHKVMBMFQ-UHFFFAOYSA-N 1 0 393.556 4.218 20 0 GIADRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2N(C)C)c(OC[C@H]2CCOC2)c1 ZINC000167207827 823888570 /nfs/dbraw/zinc/88/85/70/823888570.db2.gz DACQQHNELLXYLY-ROUUACIJSA-N 1 0 386.511 4.466 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1cccc(C(F)(F)F)c1 ZINC000126517252 823889537 /nfs/dbraw/zinc/88/95/37/823889537.db2.gz VOIISOVSXCNLPK-UHFFFAOYSA-N 1 0 377.410 4.089 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]CCc1nnc2n1CCCCC2 ZINC000126522481 823889935 /nfs/dbraw/zinc/88/99/35/823889935.db2.gz FQVUFGLTMUQPGZ-CQSZACIVSA-N 1 0 399.539 4.469 20 0 GIADRO COc1ccccc1[C@H](C)[NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1 ZINC000167353992 823890921 /nfs/dbraw/zinc/89/09/21/823890921.db2.gz TXVSMRMNDKHBOC-KRWDZBQOSA-N 1 0 390.487 4.263 20 0 GIADRO C[C@@H]1C[C@@H](N(C)c2nnc(-c3ccccc3F)n2C)CC[N@@H+]1Cc1ccccc1 ZINC000575028168 823892925 /nfs/dbraw/zinc/89/29/25/823892925.db2.gz VGBQTTFPYRQXQV-MJGOQNOKSA-N 1 0 393.510 4.111 20 0 GIADRO Cc1n[nH]cc1C[NH2+][C@H]1CCCc2c(Br)cc(Br)cc21 ZINC000575031428 823894418 /nfs/dbraw/zinc/89/44/18/823894418.db2.gz LOIRELXQVTYMKK-HNNXBMFYSA-N 1 0 399.130 4.410 20 0 GIADRO COc1cc([C@@H](C)[NH2+]Cc2ccc(C)cc2OC(C)C)ccc1S(C)(=O)=O ZINC000167695413 823894673 /nfs/dbraw/zinc/89/46/73/823894673.db2.gz YFNVMVWNYTWPQR-MRXNPFEDSA-N 1 0 391.533 4.045 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@H](C)c2cc(F)ccc2N2CCC(O)CC2)cc1F ZINC000167786361 823895061 /nfs/dbraw/zinc/89/50/61/823895061.db2.gz MIXDSSCQUKTTRD-LSDHHAIUSA-N 1 0 390.474 4.346 20 0 GIADRO C[C@@H]([NH2+]C(C)(C)CN[C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1)c1ccccc1 ZINC000167862222 823896912 /nfs/dbraw/zinc/89/69/12/823896912.db2.gz ZQNIBQDWINICLE-JKSUJKDBSA-N 1 0 392.540 4.009 20 0 GIADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]CC(C)(C)N[C@@H](C)c1ccccc1 ZINC000167848383 823897141 /nfs/dbraw/zinc/89/71/41/823897141.db2.gz OIFHDCVDWVFHIA-CVEARBPZSA-N 1 0 388.943 4.171 20 0 GIADRO Cc1ccc([C@H](OC[C@H](O)C[NH2+]C[C@H](C)c2nccs2)c2ccccc2)cc1 ZINC000575040703 823897604 /nfs/dbraw/zinc/89/76/04/823897604.db2.gz GUKSONNMUCSLIL-VLCRHTCISA-N 1 0 396.556 4.312 20 0 GIADRO C[C@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1ccc(Br)cc1F ZINC000126554272 823897666 /nfs/dbraw/zinc/89/76/66/823897666.db2.gz HWGWWIBEUSCUNF-JTQLQIEISA-N 1 0 383.227 4.266 20 0 GIADRO CC(C)NC(=O)CC[NH2+][C@H](c1ccccc1)c1cccc(Br)c1 ZINC000414060225 823897726 /nfs/dbraw/zinc/89/77/26/823897726.db2.gz JFQCKZOVHVSYKQ-LJQANCHMSA-N 1 0 375.310 4.043 20 0 GIADRO COc1ccc2cccc(CC(=O)Nc3cccc4c3OCC[C@H]4[NH+](C)C)c2c1 ZINC000575039239 823897883 /nfs/dbraw/zinc/89/78/83/823897883.db2.gz YHPRMGQFCCNEDB-JOCHJYFZSA-N 1 0 390.483 4.415 20 0 GIADRO NC(=O)C1CC[NH+](CCc2ccc(NCc3ccc4ccccc4c3)cc2)CC1 ZINC000126558692 823898781 /nfs/dbraw/zinc/89/87/81/823898781.db2.gz NDWNEQGKWLGLIK-UHFFFAOYSA-N 1 0 387.527 4.192 20 0 GIADRO CCCCNC(=O)c1ccc(C[NH2+]Cc2ccc(OC(F)F)c(F)c2)cc1 ZINC000168053738 823899325 /nfs/dbraw/zinc/89/93/25/823899325.db2.gz UAYMGEADVDZIJD-UHFFFAOYSA-N 1 0 380.410 4.247 20 0 GIADRO COCc1cc(Cl)ccc1NC(=O)N[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000575049986 823899731 /nfs/dbraw/zinc/89/97/31/823899731.db2.gz WEZLPPLIJQAWDJ-OAQYLSRUSA-N 1 0 387.911 4.273 20 0 GIADRO C[C@H]([NH2+][C@H]1CCN(c2ncccc2F)C1)c1ccc(F)c(Br)c1 ZINC000168127337 823900019 /nfs/dbraw/zinc/90/00/19/823900019.db2.gz QGQDCFMUOAWKCH-AAEUAGOBSA-N 1 0 382.252 4.052 20 0 GIADRO Fc1cc(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)ccc1OC(F)F ZINC000168140344 823900903 /nfs/dbraw/zinc/90/09/03/823900903.db2.gz SZNRYQDBBIBQAO-IBGZPJMESA-N 1 0 379.378 4.439 20 0 GIADRO COC(=O)c1cnc([C@H](C)NCc2ccc(C[NH+]3CCCCCC3)cc2)s1 ZINC000414071608 823901306 /nfs/dbraw/zinc/90/13/06/823901306.db2.gz KVHFJLXXFQPGTB-INIZCTEOSA-N 1 0 387.549 4.157 20 0 GIADRO C[C@H]([NH2+]CC1(N(C)C)CCOCC1)c1ccc2ccccc2c1OC(F)F ZINC000168266852 823901294 /nfs/dbraw/zinc/90/12/94/823901294.db2.gz GFZRRJKHBWNALY-HNNXBMFYSA-N 1 0 378.463 4.203 20 0 GIADRO Cc1noc(C)c1[C@@H](C)[NH2+][C@@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000168232020 823901545 /nfs/dbraw/zinc/90/15/45/823901545.db2.gz DTMJKHBBQNEHRV-WDEREUQCSA-N 1 0 385.386 4.258 20 0 GIADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H](c2ccccc2F)C2CCCC2)c1 ZINC000168487256 823902896 /nfs/dbraw/zinc/90/28/96/823902896.db2.gz JAKGJSAPWUNWDF-QVKFZJNVSA-N 1 0 390.524 4.316 20 0 GIADRO COC(=O)c1cnc([C@H](C)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)s1 ZINC000414078339 823903634 /nfs/dbraw/zinc/90/36/34/823903634.db2.gz RWKFXCRHGHOBTR-CVEARBPZSA-N 1 0 387.549 4.012 20 0 GIADRO COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N[C@@H](C)CCCC[NH3+])cc1 ZINC000575068425 823903702 /nfs/dbraw/zinc/90/37/02/823903702.db2.gz MOFRNLMUNNBQKW-KRWDZBQOSA-N 1 0 393.531 4.410 20 0 GIADRO CCOc1cccc(Cl)c1C[NH+]1CCC(C(=O)Nc2ccc(O)cc2)CC1 ZINC000575068988 823903874 /nfs/dbraw/zinc/90/38/74/823903874.db2.gz JKOKVLQQNIYDDP-UHFFFAOYSA-N 1 0 388.895 4.295 20 0 GIADRO Cc1cccc(OC(F)F)c1NC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000462262601 823904445 /nfs/dbraw/zinc/90/44/45/823904445.db2.gz MEDMBQLMMLRCQY-WBVHZDCISA-N 1 0 389.446 4.238 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1cc2cc(Cl)ccc2o1 ZINC000126580266 823904621 /nfs/dbraw/zinc/90/46/21/823904621.db2.gz HXUODVVHWPCSKL-UHFFFAOYSA-N 1 0 383.879 4.470 20 0 GIADRO Cc1ccc(OC(F)F)c(C[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)c1 ZINC000168606935 823904980 /nfs/dbraw/zinc/90/49/80/823904980.db2.gz FLYPELHKVGAFNO-AWEZNQCLSA-N 1 0 376.403 4.404 20 0 GIADRO Cc1ccc(OC(F)F)c(C[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)c1 ZINC000168607028 823904997 /nfs/dbraw/zinc/90/49/97/823904997.db2.gz FLYPELHKVGAFNO-CQSZACIVSA-N 1 0 376.403 4.404 20 0 GIADRO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000575074925 823904928 /nfs/dbraw/zinc/90/49/28/823904928.db2.gz OILUSPLWZZHXKI-ZWKOTPCHSA-N 1 0 395.469 4.025 20 0 GIADRO COc1cc(C)c([C@H](C)NC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1OC ZINC000575074288 823905036 /nfs/dbraw/zinc/90/50/36/823905036.db2.gz PIZZTKZIAOKYAO-KRWDZBQOSA-N 1 0 382.504 4.099 20 0 GIADRO COc1cc([C@@H](C)[NH2+]Cc2cc(C)ccc2OC(F)F)cc(OC)c1OC ZINC000168611548 823905167 /nfs/dbraw/zinc/90/51/67/823905167.db2.gz FHKVFFIOJKGEJY-CYBMUJFWSA-N 1 0 381.419 4.473 20 0 GIADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H](C)c1cccc(O)c1 ZINC000126584054 823905380 /nfs/dbraw/zinc/90/53/80/823905380.db2.gz TYUPEADWXOSELA-OLZOCXBDSA-N 1 0 377.282 4.223 20 0 GIADRO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cc(Cl)ccc1Cl ZINC000192216440 823905988 /nfs/dbraw/zinc/90/59/88/823905988.db2.gz LTHAKQMRMBTAIO-QGZVFWFLSA-N 1 0 393.314 4.014 20 0 GIADRO COC(=O)c1cnc([C@H](C)[NH2+]CCc2nc(-c3ccccc3)c(C)s2)s1 ZINC000414087218 823906110 /nfs/dbraw/zinc/90/61/10/823906110.db2.gz IFZWQCCOEKDLKJ-LBPRGKRZSA-N 1 0 387.530 4.255 20 0 GIADRO C[C@H]([NH2+]CCCN1C(=O)COc2ccccc21)c1csc(-c2ccccc2)n1 ZINC000414096428 823908535 /nfs/dbraw/zinc/90/85/35/823908535.db2.gz QPCXNEFYQRERFA-INIZCTEOSA-N 1 0 393.512 4.276 20 0 GIADRO CC(C)n1cc([C@@H](C)[NH2+][C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)cn1 ZINC000169107732 823908731 /nfs/dbraw/zinc/90/87/31/823908731.db2.gz GOGFFIQPDLLRCV-BEFAXECRSA-N 1 0 380.458 4.408 20 0 GIADRO COCCC[C@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1ccc(Br)cc1 ZINC000169141804 823909263 /nfs/dbraw/zinc/90/92/63/823909263.db2.gz JQMNKVNSQVFBLJ-VQTJNVASSA-N 1 0 392.337 4.414 20 0 GIADRO Cc1ccc(C(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)c(Br)c1 ZINC000169232631 823909814 /nfs/dbraw/zinc/90/98/14/823909814.db2.gz KHRQRGFNQOBGFT-UHFFFAOYSA-N 1 0 391.309 4.087 20 0 GIADRO NC(=O)C1CCC([NH2+][C@@H](c2ccccc2)c2cccc(Br)c2)CC1 ZINC000414105280 823910697 /nfs/dbraw/zinc/91/06/97/823910697.db2.gz VXKOAISZGKQABV-PPSBMQLTSA-N 1 0 387.321 4.172 20 0 GIADRO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1csc(-c2ccccc2)n1 ZINC000414105330 823910760 /nfs/dbraw/zinc/91/07/60/823910760.db2.gz GODCFBPQYHPKEY-LAUBAEHRSA-N 1 0 393.556 4.228 20 0 GIADRO Clc1cncc(NCc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)n1 ZINC000064914170 823910759 /nfs/dbraw/zinc/91/07/59/823910759.db2.gz WEIINFHQGLUSHO-UHFFFAOYSA-N 1 0 393.922 4.064 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNc2ccc3nnc(-c4ccccc4)n3n2)c1 ZINC000064914654 823910822 /nfs/dbraw/zinc/91/08/22/823910822.db2.gz OZZBWQMQEKPOTR-UHFFFAOYSA-N 1 0 386.503 4.245 20 0 GIADRO C[C@@H](NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1csc(-c2ccccc2)n1 ZINC000414109620 823911924 /nfs/dbraw/zinc/91/19/24/823911924.db2.gz HMDMDVOKURQJQY-JPYJTQIMSA-N 1 0 393.556 4.098 20 0 GIADRO CC(C)CS(=O)(=O)N1CCC([NH2+][C@@H]2CC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000414114363 823912954 /nfs/dbraw/zinc/91/29/54/823912954.db2.gz SZBJKWLNRYVVOG-FXAWDEMLSA-N 1 0 399.000 4.016 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]C[C@H]2CCN(c3cc(OC)cc(OC)c3)C2)c(C)c1 ZINC000414117999 823913421 /nfs/dbraw/zinc/91/34/21/823913421.db2.gz UDJNSUVEZLVWPK-QZTJIDSGSA-N 1 0 384.520 4.198 20 0 GIADRO CC(C)(C)[C@@H]([NH2+]CC(=O)NC[C@H]1CCN(c2ccccc2)C1)c1ccccc1 ZINC000064932909 823913752 /nfs/dbraw/zinc/91/37/52/823913752.db2.gz GTWAREGLBMYTMX-XXBNENTESA-N 1 0 379.548 4.006 20 0 GIADRO Cn1cnc(CC[NH2+][C@H](c2ccc(F)cc2)c2ccc(C(F)(F)F)cc2)c1 ZINC000414123624 823914278 /nfs/dbraw/zinc/91/42/78/823914278.db2.gz JMNJPVSOLYAGDF-IBGZPJMESA-N 1 0 377.385 4.500 20 0 GIADRO C[C@@H]([NH2+]CCc1cn(C)cn1)c1ccc(Br)cc1C(F)(F)F ZINC000414120606 823914567 /nfs/dbraw/zinc/91/45/67/823914567.db2.gz CTKADXZSJCJJCB-SNVBAGLBSA-N 1 0 376.220 4.095 20 0 GIADRO COC(=O)c1cnc([C@@H](C)[NH2+][C@H](COc2ccccc2F)C(C)(C)C)s1 ZINC000414126896 823915333 /nfs/dbraw/zinc/91/53/33/823915333.db2.gz RPQWTAJCSRMRSK-MLGOLLRUSA-N 1 0 380.485 4.213 20 0 GIADRO CC[C@H]([NH2+]Cc1cccnc1Oc1cccc(S(C)(=O)=O)c1)[C@@H]1CC1(C)C ZINC000414129142 823915962 /nfs/dbraw/zinc/91/59/62/823915962.db2.gz URQPNNNEYNZKNP-OALUTQOASA-N 1 0 388.533 4.192 20 0 GIADRO COC(=O)c1cnc([C@@H](C)NCC2([NH2+][C@H](C)c3ccccc3)CCCC2)s1 ZINC000414128413 823916015 /nfs/dbraw/zinc/91/60/15/823916015.db2.gz UBGVZBJNGJUQMM-HZPDHXFCSA-N 1 0 387.549 4.244 20 0 GIADRO COC(=O)c1cnc([C@@H](C)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)s1 ZINC000414128415 823916058 /nfs/dbraw/zinc/91/60/58/823916058.db2.gz UBGVZBJNGJUQMM-JKSUJKDBSA-N 1 0 387.549 4.244 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1cnc(-c2ccccc2)s1 ZINC000126633508 823916049 /nfs/dbraw/zinc/91/60/49/823916049.db2.gz ZJBGXNZOIHDDGW-UHFFFAOYSA-N 1 0 392.528 4.194 20 0 GIADRO CC[C@@H]([NH2+]CCc1cn(C)cn1)c1ccc(Br)cc1C(F)(F)F ZINC000414131286 823916446 /nfs/dbraw/zinc/91/64/46/823916446.db2.gz YXMARLXGZCEVQF-OAHLLOKOSA-N 1 0 390.247 4.485 20 0 GIADRO Cc1ccc(Cl)cc1S(=O)(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000462301254 823917015 /nfs/dbraw/zinc/91/70/15/823917015.db2.gz VQTRZAHHVOXOQS-RDTXWAMCSA-N 1 0 398.981 4.071 20 0 GIADRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 ZINC000575122535 823917254 /nfs/dbraw/zinc/91/72/54/823917254.db2.gz VOLRSPBJVDFSBE-INIZCTEOSA-N 1 0 396.318 4.085 20 0 GIADRO Cc1ccc(NC(=O)C2CC[NH+](CCOc3cccc4ccccc43)CC2)nc1 ZINC000064953909 823917468 /nfs/dbraw/zinc/91/74/68/823917468.db2.gz MQDYEMKQZQOEOZ-UHFFFAOYSA-N 1 0 389.499 4.273 20 0 GIADRO CC(C)[N@H+](CCCc1ccncc1)C[C@H](O)COc1cccc2ccccc21 ZINC000462310306 823920444 /nfs/dbraw/zinc/92/04/44/823920444.db2.gz GDWRXAOICRFFLC-QFIPXVFZSA-N 1 0 378.516 4.318 20 0 GIADRO CO[C@@H]([C@@H](C)[NH2+][C@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F)C1CC1 ZINC000414163227 823921118 /nfs/dbraw/zinc/92/11/18/823921118.db2.gz FSFFEWOZBNJCRJ-FCHSOHFDSA-N 1 0 378.822 4.089 20 0 GIADRO C[C@H](C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)s1 ZINC000126665264 823922277 /nfs/dbraw/zinc/92/22/77/823922277.db2.gz AHUGQGYZKJURKU-AWEZNQCLSA-N 1 0 377.941 4.275 20 0 GIADRO Cc1cc([C@H](C)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)no1 ZINC000414169239 823922369 /nfs/dbraw/zinc/92/23/69/823922369.db2.gz AXYFHMPOSSQBNK-JWNTYJGQSA-N 1 0 379.479 4.441 20 0 GIADRO COc1ccc([C@@H](CO)C[NH2+][C@H](C)c2cnn(-c3cccc(Cl)c3)c2C)cc1 ZINC000414171236 823922406 /nfs/dbraw/zinc/92/24/06/823922406.db2.gz CWCIMHSDCHDZKR-CRAIPNDOSA-N 1 0 399.922 4.269 20 0 GIADRO COc1cc([C@H](C)[NH2+]Cc2ccc(-c3ccc(C)cc3)o2)ccc1OCCO ZINC000126668091 823923373 /nfs/dbraw/zinc/92/33/73/823923373.db2.gz NFMTWGJOOWUSDF-KRWDZBQOSA-N 1 0 381.472 4.486 20 0 GIADRO Cc1[nH]c2ccc(C[NH2+]Cc3c[nH]nc3-c3ccc4c(c3)OCCO4)cc2c1C ZINC000065013500 823924224 /nfs/dbraw/zinc/92/42/24/823924224.db2.gz SXENNEGVVYGSDZ-UHFFFAOYSA-N 1 0 388.471 4.236 20 0 GIADRO CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000414187939 823924743 /nfs/dbraw/zinc/92/47/43/823924743.db2.gz QWNLPHQRLKRDKV-HBGVWJBISA-N 1 0 393.499 4.482 20 0 GIADRO C[C@H]([NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl)c1cccc(NS(C)(=O)=O)c1 ZINC000414192244 823925356 /nfs/dbraw/zinc/92/53/56/823925356.db2.gz UZEZJIJIZINZIK-FABXCBLPSA-N 1 0 382.888 4.057 20 0 GIADRO COCC[C@@H](C)C[NH2+][C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000414196463 823926027 /nfs/dbraw/zinc/92/60/27/823926027.db2.gz JODIXAIGJXLZLA-FOIQADDNSA-N 1 0 395.952 4.095 20 0 GIADRO COc1ccc(F)cc1[C@@H](C)[NH2+]Cc1cc(OC)c(OCC(F)F)c(OC)c1 ZINC000575157052 823926384 /nfs/dbraw/zinc/92/63/84/823926384.db2.gz KSQLOCXSNPWSPH-GFCCVEGCSA-N 1 0 399.409 4.346 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CCc1nnc2n1CCCCC2 ZINC000126684046 823926453 /nfs/dbraw/zinc/92/64/53/823926453.db2.gz LBMZQQBYHPRCTJ-HNNXBMFYSA-N 1 0 381.549 4.330 20 0 GIADRO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c(Cl)c1 ZINC000462328587 823926426 /nfs/dbraw/zinc/92/64/26/823926426.db2.gz VAWWBZPMTBMGBZ-KBXCAEBGSA-N 1 0 398.981 4.071 20 0 GIADRO COc1ccc([C@@H](CO)C[NH2+][C@H](C)c2csc(-c3ccccc3F)n2)cc1 ZINC000414200241 823927221 /nfs/dbraw/zinc/92/72/21/823927221.db2.gz XRBYVOXFYXEWFQ-GDBMZVCRSA-N 1 0 386.492 4.385 20 0 GIADRO COC(=O)c1cc(C[NH+]2CCC(Sc3ccc(Cl)cc3)CC2)cn1C ZINC000575163088 823928309 /nfs/dbraw/zinc/92/83/09/823928309.db2.gz YKNBLBICHFQRCB-UHFFFAOYSA-N 1 0 378.925 4.222 20 0 GIADRO C[C@H](Cc1ccccc1)n1cccc1-c1nc([C@@H]2C[N@@H+]3CCC[C@@]3(C)CO2)no1 ZINC000575162922 823928489 /nfs/dbraw/zinc/92/84/89/823928489.db2.gz OXCCFRNKKHWIEB-MONBJTKQSA-N 1 0 392.503 4.268 20 0 GIADRO COc1ccc2oc([C@H](C)[NH2+][C@H](C)C(=O)Nc3ccccc3OC)c(C)c2c1 ZINC000575162801 823928534 /nfs/dbraw/zinc/92/85/34/823928534.db2.gz LETRCMQFWSAVMP-LSDHHAIUSA-N 1 0 382.460 4.436 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]C2CCC(CSC)CC2)c1 ZINC000414211908 823929652 /nfs/dbraw/zinc/92/96/52/823929652.db2.gz PWCYKAULINWVSO-UHFFFAOYSA-N 1 0 375.987 4.145 20 0 GIADRO COC(=O)c1cc(C(C)(C)[NH2+]CC/C=C\c2ccc(Br)cc2)no1 ZINC000575166877 823929855 /nfs/dbraw/zinc/92/98/55/823929855.db2.gz WQZIPWRZXLHWMC-XQRVVYSFSA-N 1 0 393.281 4.152 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)c2ccc3c(c2)CCC3)c1 ZINC000414213749 823930986 /nfs/dbraw/zinc/93/09/86/823930986.db2.gz UKBMAVOJUHNYHH-AWEZNQCLSA-N 1 0 377.937 4.473 20 0 GIADRO COCC[NH+]1CCC(NC(=O)c2cc(C)c(-c3cccc(Cl)c3)s2)CC1 ZINC000170670108 823932090 /nfs/dbraw/zinc/93/20/90/823932090.db2.gz IZQACDPHBJZOFR-UHFFFAOYSA-N 1 0 392.952 4.218 20 0 GIADRO Cc1ccc(C(=O)C2CCN(C(=O)[C@@H](C)[C@H]([NH3+])c3ccccc3)CC2)c(C)c1 ZINC000575177781 823932440 /nfs/dbraw/zinc/93/24/40/823932440.db2.gz XAOZZEYKCATOIN-AVRDEDQJSA-N 1 0 378.516 4.061 20 0 GIADRO Cc1noc(C)c1[C@H](C)CNC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000126710624 823932950 /nfs/dbraw/zinc/93/29/50/823932950.db2.gz LSHVHBLSELITMA-SJORKVTESA-N 1 0 398.551 4.358 20 0 GIADRO Cc1noc(C)c1[C@@H](C)CNC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000126710870 823933001 /nfs/dbraw/zinc/93/30/01/823933001.db2.gz LSHVHBLSELITMA-DLBZAZTESA-N 1 0 398.551 4.358 20 0 GIADRO CC[C@@H]([NH2+][C@@H](CC)c1ccc(Cl)c(S(=O)(=O)NC)c1)c1ccccc1 ZINC000414225711 823932974 /nfs/dbraw/zinc/93/29/74/823932974.db2.gz SRSJSQUEDUJBKW-MSOLQXFVSA-N 1 0 380.941 4.440 20 0 GIADRO Cc1nnc(Sc2ccc(NC(=O)[C@H]3C[NH2+]Cc4ccccc43)c(C)c2)s1 ZINC000575182073 823932994 /nfs/dbraw/zinc/93/29/94/823932994.db2.gz TVZQFMIOUYQDKV-KRWDZBQOSA-N 1 0 396.541 4.132 20 0 GIADRO C/C=C\COc1ccc(CC[C@H](C)[NH2+]Cc2ccccc2S(C)(=O)=O)cc1 ZINC000414226414 823933826 /nfs/dbraw/zinc/93/38/26/823933826.db2.gz BZJXRPQRTQZYEG-XDXAGZTOSA-N 1 0 387.545 4.156 20 0 GIADRO CSc1ccc([C@@H](C[NH2+]Cc2cocn2)N2CCc3sccc3C2)cc1 ZINC000192286983 823934130 /nfs/dbraw/zinc/93/41/30/823934130.db2.gz JKAADQUZBYDOKV-LJQANCHMSA-N 1 0 385.558 4.347 20 0 GIADRO CS(=O)(=O)c1ccccc1C[NH2+][C@H]1CCC[C@H]1Cc1ccc(Cl)cc1 ZINC000414231464 823934490 /nfs/dbraw/zinc/93/44/90/823934490.db2.gz CDYKYQIGHIHEIY-LPHOPBHVSA-N 1 0 377.937 4.245 20 0 GIADRO CC(=O)c1cc(NC(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1C ZINC000575193218 823934824 /nfs/dbraw/zinc/93/48/24/823934824.db2.gz AXTIJGYGWGYLMU-PXNSSMCTSA-N 1 0 379.504 4.230 20 0 GIADRO O=C(c1cccnc1Sc1ccccc1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000126721118 823935542 /nfs/dbraw/zinc/93/55/42/823935542.db2.gz RWJMMDNJUOUXJQ-UWJYYQICSA-N 1 0 393.556 4.322 20 0 GIADRO Cc1cc(NC(=O)[C@@H](C)[NH2+][C@@H](Cc2cccc(F)c2)c2cccc(F)c2)on1 ZINC000126724699 823936499 /nfs/dbraw/zinc/93/64/99/823936499.db2.gz CDORXSWHBZJAES-KUHUBIRLSA-N 1 0 385.414 4.162 20 0 GIADRO Cc1cc(NC(=O)[C@H](C)[NH2+][C@H](Cc2cccc(F)c2)c2cccc(F)c2)on1 ZINC000126725448 823936719 /nfs/dbraw/zinc/93/67/19/823936719.db2.gz CDORXSWHBZJAES-IFXJQAMLSA-N 1 0 385.414 4.162 20 0 GIADRO O=C(Cc1csc(-c2ccc(Cl)s2)n1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000170684479 823938116 /nfs/dbraw/zinc/93/81/16/823938116.db2.gz VQPNCYVMJCZHQZ-CQSZACIVSA-N 1 0 395.981 4.154 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@@H](c2cccnc2)c2ccc(F)c(C)c2)cn1 ZINC000414246399 823939674 /nfs/dbraw/zinc/93/96/74/823939674.db2.gz NEMDTUQNKDOULV-WWPVKYPJSA-N 1 0 394.494 4.202 20 0 GIADRO CC(C)(CC[NH2+][C@H]1CCCCc2ccc(Br)cc21)S(C)(=O)=O ZINC000414247036 823939809 /nfs/dbraw/zinc/93/98/09/823939809.db2.gz CFCJZFWCCOPXCY-INIZCTEOSA-N 1 0 388.371 4.020 20 0 GIADRO C[C@@H]([NH2+]CC1(c2c(F)cccc2F)CCC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000414249164 823940782 /nfs/dbraw/zinc/94/07/82/823940782.db2.gz WVUXASNPRSDXOI-CYBMUJFWSA-N 1 0 397.462 4.280 20 0 GIADRO CCCN(CCC[NH+](C)C)C(=O)Nc1cnn(-c2ccc(Cl)cc2)c1C ZINC000575214449 823941172 /nfs/dbraw/zinc/94/11/72/823941172.db2.gz FNOJINLHUVZXAZ-UHFFFAOYSA-N 1 0 377.920 4.030 20 0 GIADRO O=C(c1cc(-c2cccc(Cl)c2)no1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000126751319 823941946 /nfs/dbraw/zinc/94/19/46/823941946.db2.gz UYEWESQOEYLNMU-KXBFYZLASA-N 1 0 385.895 4.084 20 0 GIADRO CC(C)(CC[NH2+][C@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1)S(C)(=O)=O ZINC000414254017 823942429 /nfs/dbraw/zinc/94/24/29/823942429.db2.gz IQJAJSSJASBVOG-ZBFHGGJFSA-N 1 0 377.472 4.144 20 0 GIADRO Cc1oc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)nc1C1CC1 ZINC000575221584 823944330 /nfs/dbraw/zinc/94/43/30/823944330.db2.gz FVOKGUDMUFVFBW-VQTJNVASSA-N 1 0 394.519 4.379 20 0 GIADRO COc1cccc(NC(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)c1 ZINC000575222360 823944949 /nfs/dbraw/zinc/94/49/49/823944949.db2.gz NDLGWGIGKFKTCP-UHFFFAOYSA-N 1 0 389.883 4.466 20 0 GIADRO C[C@@H]([NH2+]CCC(C)(C)S(C)(=O)=O)c1cccc(OCc2ccccc2)c1 ZINC000414263980 823945653 /nfs/dbraw/zinc/94/56/53/823945653.db2.gz POABBNGRHLZBGF-QGZVFWFLSA-N 1 0 375.534 4.130 20 0 GIADRO COc1ccc([C@@H]([NH2+]CCC(C)(C)S(C)(=O)=O)c2ccccc2Cl)cc1 ZINC000414269688 823947915 /nfs/dbraw/zinc/94/79/15/823947915.db2.gz VJTVIIMFQBUTFQ-LJQANCHMSA-N 1 0 395.952 4.241 20 0 GIADRO CCc1ncc(C[NH2+][C@H](Cc2ccc(OC)cc2)c2ccc(OC)cc2)cn1 ZINC000414271439 823948307 /nfs/dbraw/zinc/94/83/07/823948307.db2.gz WZAWRGYCLUNPQY-JOCHJYFZSA-N 1 0 377.488 4.130 20 0 GIADRO C[C@H]([NH2+]C(C)(C)CNC(=O)N1CC(C)(C)[C@H]1c1cccnc1)c1ccccc1 ZINC000575235734 823948769 /nfs/dbraw/zinc/94/87/69/823948769.db2.gz UTNIAWQHOKDDLS-FXAWDEMLSA-N 1 0 380.536 4.304 20 0 GIADRO CC(C)(CC[NH2+][C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1)S(C)(=O)=O ZINC000414273633 823948800 /nfs/dbraw/zinc/94/88/00/823948800.db2.gz ZHKZATGFIIXKJV-GOSISDBHSA-N 1 0 383.916 4.371 20 0 GIADRO O=C(CC[NH+]1CCCCC1)Nc1cccc(NC(=O)C2(C(F)F)CCCC2)c1 ZINC000575239554 823949305 /nfs/dbraw/zinc/94/93/05/823949305.db2.gz IFJJALNVRIJWNG-UHFFFAOYSA-N 1 0 393.478 4.265 20 0 GIADRO CC(C)c1c(NC(=O)NC2CCC(C[NH+](C)C)CC2)cnn1-c1ccccc1 ZINC000192334072 823949399 /nfs/dbraw/zinc/94/93/99/823949399.db2.gz WQNGIJXHFCYRJI-UHFFFAOYSA-N 1 0 383.540 4.238 20 0 GIADRO CCCc1c(NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cnn1-c1ccc(C)cc1 ZINC000575241676 823950090 /nfs/dbraw/zinc/95/00/90/823950090.db2.gz DXFYRMRBVMAOQL-HXUWFJFHSA-N 1 0 395.551 4.225 20 0 GIADRO C[C@@H]([NH2+]CC(C)(C)OCC1CC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000414279344 823950662 /nfs/dbraw/zinc/95/06/62/823950662.db2.gz ZXHSXDOTWMASLE-MRXNPFEDSA-N 1 0 379.566 4.259 20 0 GIADRO Cc1cc(C[NH2+]Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)ccc1C(F)(F)F ZINC000414285122 823951267 /nfs/dbraw/zinc/95/12/67/823951267.db2.gz LDIBQHHGKFORSI-IYBDPMFKSA-N 1 0 393.453 4.312 20 0 GIADRO CC[C@H](C)Oc1cc(C[NH+]2CCC(C(=O)N[C@@H](C)C(C)C)CC2)ccc1OC ZINC000126787519 823951601 /nfs/dbraw/zinc/95/16/01/823951601.db2.gz ZABBMSKHUULUJF-ROUUACIJSA-N 1 0 390.568 4.245 20 0 GIADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)cc1Cl ZINC000414303891 823953957 /nfs/dbraw/zinc/95/39/57/823953957.db2.gz OEOIUYGZGCEZON-LJQANCHMSA-N 1 0 396.915 4.148 20 0 GIADRO COc1cc([C@@H](C)[NH2+]Cc2ccc(C(F)(F)F)c(C)c2)ccc1OCCO ZINC000414311562 823955718 /nfs/dbraw/zinc/95/57/18/823955718.db2.gz IVEVHENIPSALGK-CQSZACIVSA-N 1 0 383.410 4.244 20 0 GIADRO CN(C(=O)c1ccccc1Nc1ccccc1)C1CC[NH+](C2CCOCC2)CC1 ZINC000065174756 823956926 /nfs/dbraw/zinc/95/69/26/823956926.db2.gz JBMLAEFFTSESGA-UHFFFAOYSA-N 1 0 393.531 4.146 20 0 GIADRO CCc1ncc(C[NH2+][C@@H](C)c2cccc(NC(=O)Cc3ccccc3F)c2)cn1 ZINC000414316341 823956903 /nfs/dbraw/zinc/95/69/03/823956903.db2.gz UJBAIADGTCJZCA-INIZCTEOSA-N 1 0 392.478 4.210 20 0 GIADRO CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000414323959 823958360 /nfs/dbraw/zinc/95/83/60/823958360.db2.gz WIUOSFKRUJDEPG-IERDGZPVSA-N 1 0 397.494 4.061 20 0 GIADRO Brc1cccc(-c2nc(CN3CC[C@H]([NH+]4CCCC4)C3)cs2)c1 ZINC000170741668 823958488 /nfs/dbraw/zinc/95/84/88/823958488.db2.gz QEKIPADZNZAAAQ-KRWDZBQOSA-N 1 0 392.366 4.243 20 0 GIADRO Brc1ccccc1C[C@@H]([NH2+]Cc1nnc(C2CC2)s1)C1CC1 ZINC000414322131 823958446 /nfs/dbraw/zinc/95/84/46/823958446.db2.gz GAQNBUIBPYQBPZ-OAHLLOKOSA-N 1 0 378.339 4.289 20 0 GIADRO O=C([C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1)N1CCC([NH2+]C2CCCC2)CC1 ZINC000126819252 823958588 /nfs/dbraw/zinc/95/85/88/823958588.db2.gz ANPLVEBXPGQBMB-OALUTQOASA-N 1 0 380.454 4.332 20 0 GIADRO CS(=O)(=O)CC1(C[NH2+][C@@H]2CCCc3c(Cl)sc(Cl)c32)CCC1 ZINC000414329740 823959658 /nfs/dbraw/zinc/95/96/58/823959658.db2.gz PMQHHOGXNHTYPF-LLVKDONJSA-N 1 0 382.378 4.237 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)N2CCC(c3ccncc3)CC2)[NH+]2CCCC2)cc1 ZINC000192366721 823960359 /nfs/dbraw/zinc/96/03/59/823960359.db2.gz STOOVAQSIGUSPQ-HSZRJFAPSA-N 1 0 392.547 4.116 20 0 GIADRO C[C@@H]1[C@H](NC(=O)Nc2cccc(OC(F)F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000575351807 823960491 /nfs/dbraw/zinc/96/04/91/823960491.db2.gz ZVWRCKIDUMBWRH-RDTXWAMCSA-N 1 0 375.419 4.073 20 0 GIADRO C[C@]1(C[NH3+])CCN(C(=O)N[C@H](c2ccccc2)[C@H]2CCCc3ccccc32)C1 ZINC000575354502 823961072 /nfs/dbraw/zinc/96/10/72/823961072.db2.gz WJSIIXQDQIUORK-WMTXJRDZSA-N 1 0 377.532 4.228 20 0 GIADRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+]Cc1cnc(N(C)C)n1C ZINC000414341102 823961154 /nfs/dbraw/zinc/96/11/54/823961154.db2.gz OBOSFQCVGQDFJJ-GFCCVEGCSA-N 1 0 389.956 4.422 20 0 GIADRO C[C@H]([NH2+]C[C@@H]1CCCN(Cc2cccs2)C1)c1cccc(N2CCOC2=O)c1 ZINC000126830203 823961683 /nfs/dbraw/zinc/96/16/83/823961683.db2.gz KVHUEBYFLGQLOI-ROUUACIJSA-N 1 0 399.560 4.268 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2)C1)c1ncc(Br)cc1F ZINC000414344966 823961968 /nfs/dbraw/zinc/96/19/68/823961968.db2.gz KSUNNJXEWSHMBX-SMDDNHRTSA-N 1 0 382.252 4.052 20 0 GIADRO OC[C@@H]1CCC[C@@H]([NH2+][C@H](c2ccc(Br)o2)c2ccc(F)cc2)C1 ZINC000414348086 823962313 /nfs/dbraw/zinc/96/23/13/823962313.db2.gz WPHUXXKYDMATHG-DWQUBVKVSA-N 1 0 382.273 4.411 20 0 GIADRO COc1cccc([C@@H]2C[C@H]2C[NH2+][C@@H](CCn2cncn2)c2ccc(C)cc2)c1 ZINC000414345893 823962420 /nfs/dbraw/zinc/96/24/20/823962420.db2.gz UDXASCATCRGIPJ-PMVMPFDFSA-N 1 0 376.504 4.120 20 0 GIADRO COc1cc(F)c(NC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2ccnc2)cc1F ZINC000126834703 823962534 /nfs/dbraw/zinc/96/25/34/823962534.db2.gz BDCUYIRIGXQGFA-ICSRJNTNSA-N 1 0 398.413 4.220 20 0 GIADRO COCC[C@@H]1CCC[C@@H]1[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000414351819 823962669 /nfs/dbraw/zinc/96/26/69/823962669.db2.gz OKSCQRQLZVNTQV-PXNSSMCTSA-N 1 0 395.385 4.208 20 0 GIADRO Brc1cccc(CN2CCC([NH2+][C@H]3CCOC4(CCC4)C3)CC2)c1 ZINC000414350088 823962857 /nfs/dbraw/zinc/96/28/57/823962857.db2.gz KZWCEQBJCDEKEK-IBGZPJMESA-N 1 0 393.369 4.105 20 0 GIADRO Cc1csc(N2CCC([NH2+][C@@H](C)Cc3cn(C)c4ccc(F)cc34)CC2)n1 ZINC000414351895 823963216 /nfs/dbraw/zinc/96/32/16/823963216.db2.gz SLEOESJJGXYEDS-AWEZNQCLSA-N 1 0 386.540 4.272 20 0 GIADRO CC(C)[C@@H]1C[C@H]([NH2+]C2CCN(Cc3cccc(Br)c3)CC2)CCO1 ZINC000414352307 823963387 /nfs/dbraw/zinc/96/33/87/823963387.db2.gz PIBJNTSEZIMKTP-UXHICEINSA-N 1 0 395.385 4.207 20 0 GIADRO CCc1ncc(CNC[C@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)cn1 ZINC000414355564 823963730 /nfs/dbraw/zinc/96/37/30/823963730.db2.gz AHVVQBZATAWQON-YLJYHZDGSA-N 1 0 392.469 4.231 20 0 GIADRO O=C([C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1)N1CCC([NH2+]C2CCCC2)CC1 ZINC000126851875 823966677 /nfs/dbraw/zinc/96/66/77/823966677.db2.gz BOOLOJHRYRLPGM-RTBURBONSA-N 1 0 380.454 4.332 20 0 GIADRO COCC[C@@H](NC(=O)[C@@H]1C[NH2+]Cc2ccccc21)c1ccc(Cl)c(Cl)c1 ZINC000575399261 823966860 /nfs/dbraw/zinc/96/68/60/823966860.db2.gz YOCHFKZJZMACQJ-VQIMIIECSA-N 1 0 393.314 4.074 20 0 GIADRO CC(=O)c1c(C)cc(C)c(C[NH+]2CCC(NC(=O)c3cc(C)oc3C)CC2)c1C ZINC000170777224 823968558 /nfs/dbraw/zinc/96/85/58/823968558.db2.gz SFLOCVXZQXUHCJ-UHFFFAOYSA-N 1 0 396.531 4.419 20 0 GIADRO CC1(C)C(=O)N[C@@H]1C1CC[NH+](Cc2cnc(-c3ccc(Cl)cc3)s2)CC1 ZINC000575430247 823969707 /nfs/dbraw/zinc/96/97/07/823969707.db2.gz UZMPMCSIXDOMIZ-QGZVFWFLSA-N 1 0 389.952 4.200 20 0 GIADRO O=C(C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1)N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000575441671 823971158 /nfs/dbraw/zinc/97/11/58/823971158.db2.gz HAOINHOXAIOHSZ-XPNTWCBSSA-N 1 0 398.934 4.189 20 0 GIADRO Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(C[NH+](C)C)cc2F)c1Cl ZINC000414396789 823971553 /nfs/dbraw/zinc/97/15/53/823971553.db2.gz PWTNMFGPJMNZAP-UHFFFAOYSA-N 1 0 391.295 4.303 20 0 GIADRO CCc1ncc(C[NH+]2CCC(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)cn1 ZINC000414401162 823971885 /nfs/dbraw/zinc/97/18/85/823971885.db2.gz VREOXRCJPQATGI-UHFFFAOYSA-N 1 0 393.318 4.197 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)N(Cc2ccco2)Cc2ccc(O)cc2)c1 ZINC000170792700 823972627 /nfs/dbraw/zinc/97/26/27/823972627.db2.gz WCJKJFXTAXFKPF-UHFFFAOYSA-N 1 0 379.460 4.281 20 0 GIADRO Cc1nc(-c2ccc([C@@H](C)NC(=O)[C@]3(c4ccccc4)CC[NH2+]C3)cc2)cs1 ZINC000575477431 823973759 /nfs/dbraw/zinc/97/37/59/823973759.db2.gz OSMYIKRDTOXSFJ-WAIKUNEKSA-N 1 0 391.540 4.227 20 0 GIADRO C[C@H](CC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C)c1ccc(F)c(Br)c1 ZINC000462434880 823974253 /nfs/dbraw/zinc/97/42/53/823974253.db2.gz GBNZWWPXQZZAPT-IJEWVQPXSA-N 1 0 397.332 4.167 20 0 GIADRO C[C@H](CC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C)c1ccc(F)c(Br)c1 ZINC000462436324 823974659 /nfs/dbraw/zinc/97/46/59/823974659.db2.gz MQMFHGUJSBUBJN-GLJUWKHASA-N 1 0 397.332 4.167 20 0 GIADRO O=C(Nc1ccc(N2C[C@H]3CC[C@@H]2C3)cc1)NC1CC[NH+](C2CCCC2)CC1 ZINC000192407036 823975590 /nfs/dbraw/zinc/97/55/90/823975590.db2.gz QCEVDPGFYIZDDT-HTAPYJJXSA-N 1 0 382.552 4.204 20 0 GIADRO COc1ccc([C@@H](C)N(C)C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000126918901 823980255 /nfs/dbraw/zinc/98/02/55/823980255.db2.gz PIDJFHJSDKXBSE-APWZRJJASA-N 1 0 387.549 4.296 20 0 GIADRO Cc1ccc(C[NH2+][C@H]2CCN(C(C)(C)C)[C@H]2c2ccc(Cl)c(F)c2)nn1 ZINC000414425837 823981704 /nfs/dbraw/zinc/98/17/04/823981704.db2.gz BABJZULKRSQYIU-OALUTQOASA-N 1 0 376.907 4.281 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2cc(C(F)(F)F)ccn2)[C@@H]1c1cccs1 ZINC000192421166 823983396 /nfs/dbraw/zinc/98/33/96/823983396.db2.gz IKBMKTPRWYXDBV-MLGOLLRUSA-N 1 0 398.454 4.367 20 0 GIADRO CC(C)(C[NH2+]Cc1ccc(S(C)(=O)=O)s1)c1ccc(C(F)(F)F)cc1 ZINC000414430794 823983967 /nfs/dbraw/zinc/98/39/67/823983967.db2.gz GEZMCXRIRPMQSF-UHFFFAOYSA-N 1 0 391.480 4.238 20 0 GIADRO Cc1nn(-c2cccc(F)c2)cc1C[NH+]1CCC(c2ncc3n2CCCC3)CC1 ZINC000414450648 823987351 /nfs/dbraw/zinc/98/73/51/823987351.db2.gz YITQNFBFBWZESR-UHFFFAOYSA-N 1 0 393.510 4.232 20 0 GIADRO Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C1(Cc2cccc(F)c2)CCOCC1 ZINC000414451873 823987942 /nfs/dbraw/zinc/98/79/42/823987942.db2.gz LBMWWKBBLLDYDB-UHFFFAOYSA-N 1 0 397.469 4.340 20 0 GIADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)Nc1cc(C(F)(F)F)ccn1 ZINC000192426096 823988092 /nfs/dbraw/zinc/98/80/92/823988092.db2.gz WYAFCERWXAPESJ-CYBMUJFWSA-N 1 0 384.427 4.121 20 0 GIADRO CCOc1ccccc1NC(=O)C[N@H+](CC(C)C)[C@@H]1CCCc2cccnc21 ZINC000126963342 823990510 /nfs/dbraw/zinc/99/05/10/823990510.db2.gz UNKLDOUYLJXPIM-HXUWFJFHSA-N 1 0 381.520 4.454 20 0 GIADRO CC(C)(C)c1ccc(S(=O)(=O)CC[NH2+]Cc2ccnc3ccccc23)cc1 ZINC000575772175 823990804 /nfs/dbraw/zinc/99/08/04/823990804.db2.gz VSKRNTYZDQDSNZ-UHFFFAOYSA-N 1 0 382.529 4.096 20 0 GIADRO O=C(Nc1cccc(C[N@@H+]2CCCO[C@H](CF)C2)c1)c1ccc(Cl)cc1 ZINC000414481808 823992607 /nfs/dbraw/zinc/99/26/07/823992607.db2.gz WPDGMQMAFZENJX-LJQANCHMSA-N 1 0 376.859 4.153 20 0 GIADRO CCCOc1c(Cl)cc(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1OCC ZINC000126978933 823993496 /nfs/dbraw/zinc/99/34/96/823993496.db2.gz CPZSUCYWLOXABP-MRXNPFEDSA-N 1 0 394.943 4.085 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000126980835 823993908 /nfs/dbraw/zinc/99/39/08/823993908.db2.gz OFNCMNYKNCPTIT-QZTJIDSGSA-N 1 0 398.469 4.198 20 0 GIADRO COc1ccc(OCc2ccccn2)c(CNc2ccc(C[NH+](C)C)cc2F)c1 ZINC000414490216 823994338 /nfs/dbraw/zinc/99/43/38/823994338.db2.gz RERSZHJQTLUHQV-UHFFFAOYSA-N 1 0 395.478 4.482 20 0 GIADRO COC(=O)C1CCC([NH2+][C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)CC1 ZINC000192441762 823994560 /nfs/dbraw/zinc/99/45/60/823994560.db2.gz YJRXHPXCEIYSGS-XTXLOEGASA-N 1 0 395.478 4.238 20 0 GIADRO COc1cccc2c1CC[C@H]([NH2+]Cc1ccc(COC3CCOCC3)cc1)C2 ZINC000192446001 823995175 /nfs/dbraw/zinc/99/51/75/823995175.db2.gz GJQDERPDYNYFCW-NRFANRHFSA-N 1 0 381.516 4.038 20 0 GIADRO FC(F)(F)Cn1cc(C[NH2+]Cc2cc(Cl)cc(Br)c2)cn1 ZINC000414498822 823995763 /nfs/dbraw/zinc/99/57/63/823995763.db2.gz BCUHMQCLMMZEMQ-UHFFFAOYSA-N 1 0 382.611 4.151 20 0 GIADRO CO[C@](C)([C@H](C)[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1)C1CC1 ZINC000414499075 823995964 /nfs/dbraw/zinc/99/59/64/823995964.db2.gz JEZZIIDXFOMSRP-KPZWWZAWSA-N 1 0 378.314 4.132 20 0 GIADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]C[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000414510030 823998464 /nfs/dbraw/zinc/99/84/64/823998464.db2.gz DEWWWQXMDSAJPY-WQVCFCJDSA-N 1 0 392.341 4.155 20 0 GIADRO C[C@@H]1C[C@H](C[NH2+]Cc2ccc(Br)c(Br)c2)[C@@H](C)O1 ZINC000414510534 823998562 /nfs/dbraw/zinc/99/85/62/823998562.db2.gz FGECZNQKMNWLDC-CKYFFXLPSA-N 1 0 377.120 4.115 20 0 GIADRO O=C(NCc1ccc(Cl)cc1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000575795978 823998846 /nfs/dbraw/zinc/99/88/46/823998846.db2.gz WVHKPYGAHHOQIJ-WOJBJXKFSA-N 1 0 383.923 4.004 20 0 GIADRO Cc1cccn2cc(COc3ccc(C[NH2+]C[C@@H]4C[C@H](C)O[C@H]4C)cc3)nc12 ZINC000414514953 823999320 /nfs/dbraw/zinc/99/93/20/823999320.db2.gz MQVAMPHWXSDSGW-BJLQDIEVSA-N 1 0 379.504 4.125 20 0 GIADRO COCCOc1ccc(C[NH2+]Cc2cc(C)ccc2Br)cc1OC ZINC000414515873 823999428 /nfs/dbraw/zinc/99/94/28/823999428.db2.gz NVPRDTNVTNMVKK-UHFFFAOYSA-N 1 0 394.309 4.081 20 0 GIADRO COc1ccc(C[N@@H+]2CC3(CCOCC3)[C@H]2C(C)C)cc1OCc1cccnc1 ZINC000414524876 824001621 /nfs/dbraw/zinc/00/16/21/824001621.db2.gz ISHIDPZFYXLSQW-HSZRJFAPSA-N 1 0 396.531 4.306 20 0 GIADRO OCC1([C@H]([NH2+]Cc2ccc(N3CCCC3)nc2)c2ccccc2)CCCCC1 ZINC000414525408 824001748 /nfs/dbraw/zinc/00/17/48/824001748.db2.gz JPYSMPZZRVKWOH-HSZRJFAPSA-N 1 0 379.548 4.456 20 0 GIADRO C[C@H]1C[C@@H]([NH3+])CCN1CC(=O)Nc1ccccc1Sc1ccc(Cl)cc1 ZINC000575811862 824001984 /nfs/dbraw/zinc/00/19/84/824001984.db2.gz FMNYCULZSXAMDG-HOCLYGCPSA-N 1 0 389.952 4.241 20 0 GIADRO COc1ccc(C[NH2+][C@H](c2ccccc2)C2(CO)CCCCC2)c(OC)c1OC ZINC000414526992 824001974 /nfs/dbraw/zinc/00/19/74/824001974.db2.gz MATPKLADOAINBT-HSZRJFAPSA-N 1 0 399.531 4.486 20 0 GIADRO FC(F)(F)c1cccc(CCCC[NH2+]Cc2cccnc2N2CCOCC2)c1 ZINC000192468299 824002660 /nfs/dbraw/zinc/00/26/60/824002660.db2.gz DXVXZOISBQWZRB-UHFFFAOYSA-N 1 0 393.453 4.050 20 0 GIADRO Cc1nc(COc2ccc(C[NH2+]C[C@@H](CO)c3ccc(F)cc3)cc2)cs1 ZINC000414533661 824003419 /nfs/dbraw/zinc/00/34/19/824003419.db2.gz UHPNSXLALUWGKH-SFHVURJKSA-N 1 0 386.492 4.035 20 0 GIADRO COc1ccc2oc(C[NH2+][C@H](c3ccccc3)C3(CO)CCOCC3)cc2c1 ZINC000414531808 824003583 /nfs/dbraw/zinc/00/35/83/824003583.db2.gz CVJVNKBJUSVRHG-JOCHJYFZSA-N 1 0 381.472 4.061 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cc3c(cc2Br)CCC3)C1 ZINC000192471067 824004022 /nfs/dbraw/zinc/00/40/22/824004022.db2.gz SSICPWJRXANHFS-CQSZACIVSA-N 1 0 394.357 4.133 20 0 GIADRO Cn1c2ccc(C[NH2+]Cc3cccnc3Oc3cccc(F)c3)cc2sc1=O ZINC000192473355 824004466 /nfs/dbraw/zinc/00/44/66/824004466.db2.gz BHHCTTDDXSPLPK-UHFFFAOYSA-N 1 0 395.459 4.216 20 0 GIADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]C[C@@H]1CCSC1 ZINC000575827180 824005170 /nfs/dbraw/zinc/00/51/70/824005170.db2.gz ONTQIEITTNXNKA-AWEZNQCLSA-N 1 0 380.355 4.094 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccccc1C(F)(F)F ZINC000127046719 824006502 /nfs/dbraw/zinc/00/65/02/824006502.db2.gz ZNNQSVNMHYSNTL-UHFFFAOYSA-N 1 0 392.421 4.162 20 0 GIADRO COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)[C@@](C)([NH3+])c3ccccc3)s2)cc1 ZINC000192480712 824007295 /nfs/dbraw/zinc/00/72/95/824007295.db2.gz OUXFOIRLGWUSBO-QRQCRPRQSA-N 1 0 395.528 4.178 20 0 GIADRO Cc1ccc2cc(C[NH2+][C@@H](c3ccccc3)C3(CO)CCOCC3)ccc2n1 ZINC000414546819 824007971 /nfs/dbraw/zinc/00/79/71/824007971.db2.gz YLVIYGWBFJTRCZ-QHCPKHFHSA-N 1 0 376.500 4.163 20 0 GIADRO CCC(CC)C(=O)N1CCC([NH2+]Cc2c(F)cccc2Br)CC1 ZINC000192485929 824008718 /nfs/dbraw/zinc/00/87/18/824008718.db2.gz RIMOYBCHTGXWMF-UHFFFAOYSA-N 1 0 385.321 4.105 20 0 GIADRO CCc1cc(C(=O)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)oc1CC ZINC000127058898 824008924 /nfs/dbraw/zinc/00/89/24/824008924.db2.gz XKBCRGJXUDJSAI-UHFFFAOYSA-N 1 0 383.536 4.435 20 0 GIADRO COCCOc1ccc(C[N@H+](C)Cc2ccc(OC)c(Cl)c2)cc1OC ZINC000414551414 824009598 /nfs/dbraw/zinc/00/95/98/824009598.db2.gz OSOKEOPNKUEENZ-UHFFFAOYSA-N 1 0 379.884 4.014 20 0 GIADRO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2cnc(-c3ccc(Cl)cc3)s2)CC1 ZINC000414558075 824011939 /nfs/dbraw/zinc/01/19/39/824011939.db2.gz YLORDHXRJJOCLZ-KRWDZBQOSA-N 1 0 389.952 4.440 20 0 GIADRO COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[NH2+][C@@H](c2ccccc2)C2CC2)c1 ZINC000192507124 824014541 /nfs/dbraw/zinc/01/45/41/824014541.db2.gz OWFFTGTZWKYIFL-URXFXBBRSA-N 1 0 394.515 4.108 20 0 GIADRO COc1cc(C[NH+]2CCC(CO)CC2)ccc1OCc1ccc(Cl)cc1 ZINC000127085916 824014569 /nfs/dbraw/zinc/01/45/69/824014569.db2.gz LEZCVZISFHCIFP-UHFFFAOYSA-N 1 0 375.896 4.132 20 0 GIADRO Cc1cccc(Oc2ccccc2C(=O)N2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000575860348 824014999 /nfs/dbraw/zinc/01/49/99/824014999.db2.gz AMTCBMHCWCTCIQ-XXBNENTESA-N 1 0 394.515 4.146 20 0 GIADRO Cc1cc(NC(=O)C[N@@H+](CC(C)C)[C@H]2CCCc3cccnc32)n(C(C)(C)C)n1 ZINC000127096671 824016739 /nfs/dbraw/zinc/01/67/39/824016739.db2.gz ZWNCDJRYAXWWDP-IBGZPJMESA-N 1 0 397.567 4.316 20 0 GIADRO Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000127107638 824018831 /nfs/dbraw/zinc/01/88/31/824018831.db2.gz LWHQVEWMODUDIX-GOSISDBHSA-N 1 0 394.519 4.243 20 0 GIADRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)Nc1ccc(-c2nncs2)cc1)[NH+](C)C ZINC000575889365 824020663 /nfs/dbraw/zinc/02/06/63/824020663.db2.gz OMSDFOUBMKUATD-DNVCBOLYSA-N 1 0 395.532 4.326 20 0 GIADRO CCn1c2ccccc2nc1C[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000575889229 824020733 /nfs/dbraw/zinc/02/07/33/824020733.db2.gz KQWXWFNTHGFQAA-AWEZNQCLSA-N 1 0 391.441 4.188 20 0 GIADRO C[C@@H]([NH2+]C1CCN(Cc2ccccc2Cl)CC1)c1ccc(-n2ccnn2)cc1 ZINC000575891040 824021840 /nfs/dbraw/zinc/02/18/40/824021840.db2.gz JGIQVEUZTJLWDY-QGZVFWFLSA-N 1 0 395.938 4.236 20 0 GIADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000414683051 824022991 /nfs/dbraw/zinc/02/29/91/824022991.db2.gz SIEUKKFTWQZWMJ-NXEZZACHSA-N 1 0 383.336 4.315 20 0 GIADRO C[C@H]([NH3+])C1CCN(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000414684883 824023706 /nfs/dbraw/zinc/02/37/06/824023706.db2.gz XDWYHCZJCAVEFE-VIFPVBQESA-N 1 0 383.336 4.315 20 0 GIADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3s2)C1 ZINC000575900409 824023744 /nfs/dbraw/zinc/02/37/44/824023744.db2.gz GZXUGKCOSWEMPA-LMMKCTJWSA-N 1 0 394.544 4.007 20 0 GIADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)N[C@H](Cc2ccccc2)c2nc3ccccc3s2)C1 ZINC000575900411 824023838 /nfs/dbraw/zinc/02/38/38/824023838.db2.gz GZXUGKCOSWEMPA-ZIFCJYIRSA-N 1 0 394.544 4.007 20 0 GIADRO CCCOc1ccc(C(F)(F)F)cc1NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414715925 824026159 /nfs/dbraw/zinc/02/61/59/824026159.db2.gz XLTZEUCVENFWPT-YIONKMFJSA-N 1 0 385.430 4.241 20 0 GIADRO Cc1cc(NC(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)ccc1Br ZINC000414716780 824026171 /nfs/dbraw/zinc/02/61/71/824026171.db2.gz YFFFOKCQOSDGPF-WMLDXEAASA-N 1 0 380.330 4.144 20 0 GIADRO C[C@](C[NH3+])(NC(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1)C1CC1 ZINC000414723145 824027005 /nfs/dbraw/zinc/02/70/05/824027005.db2.gz BKRLYEZWZYFSIS-OAQYLSRUSA-N 1 0 380.517 4.136 20 0 GIADRO Cc1ccc(Oc2ccccc2NC(=O)N2CCC(OCCC[NH3+])CC2)cc1 ZINC000414721678 824027015 /nfs/dbraw/zinc/02/70/15/824027015.db2.gz CJUMTWPVVMCXPT-UHFFFAOYSA-N 1 0 383.492 4.149 20 0 GIADRO CO[C@H]1CCN(C(=O)Nc2ccc(Sc3cc(C)ccc3C)cc2)[C@@H](C[NH3+])C1 ZINC000414724183 824027844 /nfs/dbraw/zinc/02/78/44/824027844.db2.gz JJIICBMQGFSCDS-MOPGFXCFSA-N 1 0 399.560 4.425 20 0 GIADRO CO[C@@H]1CCN(C(=O)Nc2ccc(Sc3cc(C)ccc3C)cc2)[C@H](C[NH3+])C1 ZINC000414724187 824027944 /nfs/dbraw/zinc/02/79/44/824027944.db2.gz JJIICBMQGFSCDS-RBUKOAKNSA-N 1 0 399.560 4.425 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)CC(C)(C)C)CC1 ZINC000575915944 824029035 /nfs/dbraw/zinc/02/90/35/824029035.db2.gz GXAMEOTWOBFSSN-UHFFFAOYSA-N 1 0 381.358 4.308 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)CC[NH2+]1 ZINC000414742721 824031919 /nfs/dbraw/zinc/03/19/19/824031919.db2.gz ILYXPEGFHCSXTQ-ZWNOBZJWSA-N 1 0 384.427 4.091 20 0 GIADRO C[NH2+]C[C@@H]1CCCN1C(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000414750434 824032790 /nfs/dbraw/zinc/03/27/90/824032790.db2.gz QVTUINYOZWHARM-ZDUSSCGKSA-N 1 0 384.427 4.045 20 0 GIADRO CCCN(C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1)C1CC[NH2+]CC1 ZINC000414766144 824034621 /nfs/dbraw/zinc/03/46/21/824034621.db2.gz DBHYQXIEVZSMCD-UHFFFAOYSA-N 1 0 395.507 4.327 20 0 GIADRO O=C(Nc1ccccc1N1CCCCCC1)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000414777408 824035315 /nfs/dbraw/zinc/03/53/15/824035315.db2.gz FGBVENFIMJHJKG-FPOVZHCZSA-N 1 0 384.568 4.453 20 0 GIADRO C[C@H]1C[C@@H](NC(=O)Nc2ccc(OC(F)F)c(Cc3ccccc3)c2)CC[NH2+]1 ZINC000414789476 824036467 /nfs/dbraw/zinc/03/64/67/824036467.db2.gz OOOJCSKRZSEVKZ-KSSFIOAISA-N 1 0 389.446 4.141 20 0 GIADRO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@@H](CC2CCCCC2)c2ccccc2)cc1 ZINC000414788431 824036543 /nfs/dbraw/zinc/03/65/43/824036543.db2.gz MMXXDUCLMRILJA-JTSKRJEESA-N 1 0 393.531 4.473 20 0 GIADRO Fc1ccc(-n2cc(C[N@@H+]3C[C@H](c4ccccc4)[C@@H]4COCC[C@H]43)cn2)cc1 ZINC000575956125 824037148 /nfs/dbraw/zinc/03/71/48/824037148.db2.gz KUNGFALQSWUMBE-XPWALMASSA-N 1 0 377.463 4.016 20 0 GIADRO CC(C)Sc1cc(Br)ccc1C[NH2+]CC[C@H](O)C(F)(F)F ZINC000575956226 824037182 /nfs/dbraw/zinc/03/71/82/824037182.db2.gz PIHSIOXLFJZOJE-ZDUSSCGKSA-N 1 0 386.277 4.353 20 0 GIADRO Fc1ccc(-n2cc(C[N@@H+]3C[C@H](c4ccccc4)[C@H]4COCC[C@@H]43)cn2)cc1 ZINC000575956126 824037282 /nfs/dbraw/zinc/03/72/82/824037282.db2.gz KUNGFALQSWUMBE-ZLNRFVROSA-N 1 0 377.463 4.016 20 0 GIADRO CC[C@H]([NH2+][C@@H]1c2ccccc2CC12CCOCC2)C(=O)Nc1ccc(OC)cc1 ZINC000575958461 824037870 /nfs/dbraw/zinc/03/78/70/824037870.db2.gz RSKITNBSEBHCQR-FCHUYYIVSA-N 1 0 394.515 4.096 20 0 GIADRO Cc1ccccc1CN(Cc1cccnc1)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000171017034 824038316 /nfs/dbraw/zinc/03/83/16/824038316.db2.gz PSXAICHLTJNXMR-UHFFFAOYSA-N 1 0 394.563 4.365 20 0 GIADRO CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)C2CCC2)c1 ZINC000414819370 824039040 /nfs/dbraw/zinc/03/90/40/824039040.db2.gz YNSHBSLLHUAHHC-HXUWFJFHSA-N 1 0 399.922 4.046 20 0 GIADRO COc1ccc([C@H]([NH2+][C@@H](C)C(=O)N[C@@H](C)c2ccccc2OC)C2CC2)cc1 ZINC000192590537 824039560 /nfs/dbraw/zinc/03/95/60/824039560.db2.gz HGCHEZGHHAFVGB-PONJGIIJSA-N 1 0 382.504 4.010 20 0 GIADRO CCc1ccccc1[C@H]([NH3+])CNC(=O)Nc1cccc(OCC(F)(F)F)c1 ZINC000414819966 824039680 /nfs/dbraw/zinc/03/96/80/824039680.db2.gz ISWMPODDWADQLA-QGZVFWFLSA-N 1 0 381.398 4.012 20 0 GIADRO CCCNc1ccc(CNC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000192591115 824039645 /nfs/dbraw/zinc/03/96/45/824039645.db2.gz SPSGJDFLCPRMHH-QFIPXVFZSA-N 1 0 394.563 4.172 20 0 GIADRO CCCCN(C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2)[C@@H](CC)c1ccccc1 ZINC000414826954 824040021 /nfs/dbraw/zinc/04/00/21/824040021.db2.gz AELGBMYWJYJGJT-NRFANRHFSA-N 1 0 379.504 4.008 20 0 GIADRO Fc1cccc(Br)c1C[NH2+]CCc1nc(C(F)(F)F)cs1 ZINC000192597443 824041210 /nfs/dbraw/zinc/04/12/10/824041210.db2.gz RBIHKKRZPJPSEK-UHFFFAOYSA-N 1 0 383.208 4.396 20 0 GIADRO CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@H](c2ccccc2)C2CC2)c1 ZINC000192598330 824041795 /nfs/dbraw/zinc/04/17/95/824041795.db2.gz DKEXCQBZBZIWPV-VGOFRKELSA-N 1 0 393.531 4.237 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)Nc1ccc(OC(F)F)cc1 ZINC000192597508 824041940 /nfs/dbraw/zinc/04/19/40/824041940.db2.gz OXLXDXGVZVIWDQ-UHFFFAOYSA-N 1 0 375.419 4.206 20 0 GIADRO O=C(Nc1cccc(CNC[C@@H]2CCC[NH2+]2)c1)c1ccc(Cl)cc1Cl ZINC000414852252 824042154 /nfs/dbraw/zinc/04/21/54/824042154.db2.gz VVLQUYSELUHIFW-INIZCTEOSA-N 1 0 378.303 4.087 20 0 GIADRO Cc1ccc(NC(=O)C2CC2)cc1NC(=O)NC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000414865163 824043438 /nfs/dbraw/zinc/04/34/38/824043438.db2.gz CVSVIFGYBBGZBF-HXUWFJFHSA-N 1 0 394.519 4.288 20 0 GIADRO CC[NH2+]Cc1cccc(NCc2ccc(OCc3ccncc3)c(OC)c2)c1 ZINC000414867933 824043502 /nfs/dbraw/zinc/04/35/02/824043502.db2.gz OBHGFLCOFODANJ-UHFFFAOYSA-N 1 0 377.488 4.391 20 0 GIADRO CC[C@H](C)[C@@H](NC(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1)c1ccc(Cl)cc1 ZINC000414879894 824044271 /nfs/dbraw/zinc/04/42/71/824044271.db2.gz PZYXBCWHAAFCFN-IQUTYRLHSA-N 1 0 387.911 4.202 20 0 GIADRO C[NH2+]CC1CCN(C(=O)Nc2cc(NC(=O)Nc3ccccc3)ccc2C)CC1 ZINC000414881431 824044706 /nfs/dbraw/zinc/04/47/06/824044706.db2.gz ALFGCSKSKYXLSI-UHFFFAOYSA-N 1 0 395.507 4.102 20 0 GIADRO COc1ccc([C@H]2CC[NH2+]C[C@@H]2NCc2ncc(-c3ccccc3)s2)cc1 ZINC000414881644 824044719 /nfs/dbraw/zinc/04/47/19/824044719.db2.gz LDVHNIZMJPJVGM-UXHICEINSA-N 1 0 379.529 4.054 20 0 GIADRO O=C(c1csc(-c2c(F)cccc2F)n1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000171041988 824045487 /nfs/dbraw/zinc/04/54/87/824045487.db2.gz YDDPYIZIQDBVDJ-AWEZNQCLSA-N 1 0 391.487 4.179 20 0 GIADRO O=C(CCCc1ccc(Br)s1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000171043840 824045786 /nfs/dbraw/zinc/04/57/86/824045786.db2.gz OYNYNKXXLPAUIB-HNNXBMFYSA-N 1 0 399.398 4.310 20 0 GIADRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000414895772 824047215 /nfs/dbraw/zinc/04/72/15/824047215.db2.gz ZLGGJVHZQBYKLN-JXFKEZNVSA-N 1 0 395.507 4.230 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000171049629 824047328 /nfs/dbraw/zinc/04/73/28/824047328.db2.gz ZAIYYWDYJWBOOO-SJLPKXTDSA-N 1 0 384.549 4.059 20 0 GIADRO COc1ccccc1[C@@H](O)C[NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000171050516 824047846 /nfs/dbraw/zinc/04/78/46/824047846.db2.gz NSFJDMNJRBFGBS-KRWDZBQOSA-N 1 0 380.271 4.101 20 0 GIADRO CC(C)c1nccn1Cc1cccc(NC(=O)N[C@@H](C[NH3+])C2CCCCC2)c1 ZINC000414903778 824048088 /nfs/dbraw/zinc/04/80/88/824048088.db2.gz MEJUNFHNQMFUHZ-FQEVSTJZSA-N 1 0 383.540 4.084 20 0 GIADRO COc1cc(Br)c(C[NH2+][C@@H]2CCCc3cc(N)ccc32)cc1OC ZINC000414905954 824048547 /nfs/dbraw/zinc/04/85/47/824048547.db2.gz AMPZBJARYRTRAW-QGZVFWFLSA-N 1 0 391.309 4.216 20 0 GIADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1ccc(Oc2cccc(F)c2)c2ccncc12 ZINC000576010541 824049364 /nfs/dbraw/zinc/04/93/64/824049364.db2.gz VCPVZHYQYZBFHT-KUHUBIRLSA-N 1 0 394.450 4.286 20 0 GIADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cc1ncc(-c2cccc(Br)c2)o1 ZINC000576013895 824049767 /nfs/dbraw/zinc/04/97/67/824049767.db2.gz HXOXFGMLKINNFR-WMLDXEAASA-N 1 0 390.325 4.163 20 0 GIADRO CC(C)(C)C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2)c1ccc(Cl)cc1 ZINC000414925692 824051069 /nfs/dbraw/zinc/05/10/69/824051069.db2.gz JEERBGSGPHISEZ-IBGZPJMESA-N 1 0 399.922 4.175 20 0 GIADRO Fc1ccc([C@H]2CC[NH2+]C[C@H]2NCc2csc(-c3ccsc3)n2)cc1F ZINC000414928395 824051393 /nfs/dbraw/zinc/05/13/93/824051393.db2.gz BAUSVFUIOPJLAQ-CRAIPNDOSA-N 1 0 391.512 4.385 20 0 GIADRO COc1cc(C[NH2+][C@H]2CCCc3cc(N)ccc32)ccc1OCc1ccncc1 ZINC000414930826 824051495 /nfs/dbraw/zinc/05/14/95/824051495.db2.gz PKONBBIRKQMLLI-QFIPXVFZSA-N 1 0 389.499 4.419 20 0 GIADRO CC(C)CNC(=O)c1ccc(NC(=O)Nc2ccc([C@@H](C)[NH3+])cc2)cc1Cl ZINC000414938256 824052252 /nfs/dbraw/zinc/05/22/52/824052252.db2.gz DZLVWUIKKMJHFZ-CYBMUJFWSA-N 1 0 388.899 4.390 20 0 GIADRO C[C@@H]1C[C@@H](NCc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)CC[NH2+]1 ZINC000414942422 824052903 /nfs/dbraw/zinc/05/29/03/824052903.db2.gz DKBZPDKBMUCDPX-CJNGLKHVSA-N 1 0 392.330 4.476 20 0 GIADRO CC[NH2+][C@H](C)CNCc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000414951155 824053147 /nfs/dbraw/zinc/05/31/47/824053147.db2.gz HARNFADOSIVPEW-CYBMUJFWSA-N 1 0 380.319 4.333 20 0 GIADRO CSc1cc2c(cc1CN[C@H](C[NH3+])c1ccc3ccccc3c1)OCCO2 ZINC000414946608 824053165 /nfs/dbraw/zinc/05/31/65/824053165.db2.gz UFEKWIFXXAEMGT-LJQANCHMSA-N 1 0 380.513 4.123 20 0 GIADRO COc1cc(Br)c(C[NH2+]Cc2ccc3c(c2)CCCN3)cc1OC ZINC000414967335 824055377 /nfs/dbraw/zinc/05/53/77/824055377.db2.gz BFOSZQGWZGWUIG-UHFFFAOYSA-N 1 0 391.309 4.114 20 0 GIADRO O=C(NC1CC[NH+](C2CC2)CC1)c1cc(-c2cccs2)nc2ccccc21 ZINC000014528307 210119213 /nfs/dbraw/zinc/11/92/13/210119213.db2.gz MGDHSEAFQYFDIO-UHFFFAOYSA-N 1 0 377.513 4.320 20 0 GIADRO Cc1ccc(NC(=O)CCc2ncc(-c3ccc(F)cc3)o2)c(C[NH+](C)C)c1 ZINC000359903733 209201581 /nfs/dbraw/zinc/20/15/81/209201581.db2.gz VJZSRDAXUHLHEO-UHFFFAOYSA-N 1 0 381.451 4.422 20 0 GIADRO [NH3+]CC1(F)CCN(C(F)(F)c2cnc(Cl)c(-c3ccc(F)cc3)c2)CC1 ZINC001164388821 718813359 /nfs/dbraw/zinc/81/33/59/718813359.db2.gz QZBDFOKJVYMEEF-UHFFFAOYSA-N 1 0 387.808 4.353 20 0 GIADRO FC(F)(c1ccc2ncc(Cl)nc2c1)N1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001164417258 718891789 /nfs/dbraw/zinc/89/17/89/718891789.db2.gz IQIGGICDSQVCDO-KRWDZBQOSA-N 1 0 380.870 4.187 20 0 GIADRO CSc1cnc(Cl)c(C(F)(F)N2C[C@H]3[NH2+]Cc4ccccc4[C@H]3C2)c1 ZINC001164425192 718944847 /nfs/dbraw/zinc/94/48/47/718944847.db2.gz TVEIPKRJXFAOBD-GDBMZVCRSA-N 1 0 381.879 4.077 20 0 GIADRO Cc1cc(Cl)nc(C(F)(F)N2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c1 ZINC001164621726 719046229 /nfs/dbraw/zinc/04/62/29/719046229.db2.gz JPLUAECUQKVMHW-VQIMIIECSA-N 1 0 377.866 4.172 20 0 GIADRO FC(F)(Sc1ccc(Cl)nc1)N1CC[C@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164619269 719049228 /nfs/dbraw/zinc/04/92/28/719049228.db2.gz CFXWDBYRSNTUQJ-WMZOPIPTSA-N 1 0 395.906 4.457 20 0 GIADRO FC(F)(c1ccnc(Cl)c1)N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164621306 719054206 /nfs/dbraw/zinc/05/42/06/719054206.db2.gz INZXGUUSESEJFD-FUHWJXTLSA-N 1 0 377.866 4.381 20 0 GIADRO FC(F)(c1cccnc1Cl)N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164621465 719054464 /nfs/dbraw/zinc/05/44/64/719054464.db2.gz JIYJHVKZIOTKCJ-SJLPKXTDSA-N 1 0 377.866 4.381 20 0 GIADRO Cc1nc(Cl)cc(C(F)(F)N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164618950 719063830 /nfs/dbraw/zinc/06/38/30/719063830.db2.gz BQXPSYNQTQUBJK-SJORKVTESA-N 1 0 392.881 4.084 20 0 GIADRO Cc1nc(Cl)cc(C(F)(F)N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164618946 719064527 /nfs/dbraw/zinc/06/45/27/719064527.db2.gz BQXPSYNQTQUBJK-DLBZAZTESA-N 1 0 392.881 4.084 20 0 GIADRO CCOC(=O)c1nc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)ccc1Cl ZINC001164622446 719090714 /nfs/dbraw/zinc/09/07/14/719090714.db2.gz BZSWFRFGLJOQID-IEBWSBKVSA-N 1 0 399.922 4.013 20 0 GIADRO Fc1ccc(-c2ccc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)nn2)cc1 ZINC001164625161 719100703 /nfs/dbraw/zinc/10/07/03/719100703.db2.gz GXZWGFICYPTFJJ-NFBKMPQASA-N 1 0 388.490 4.384 20 0 GIADRO c1ccc(Cc2nccc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)n2)cc1 ZINC001164629855 719102415 /nfs/dbraw/zinc/10/24/15/719102415.db2.gz TYZHIULCJHTMAO-DHIUTWEWSA-N 1 0 384.527 4.168 20 0 GIADRO [NH3+]C1([C@H]2CN(C(F)(F)c3cc(Cl)c(Cl)nc3Cl)C[C@@H]2CF)CC1 ZINC001164622452 719121469 /nfs/dbraw/zinc/12/14/69/719121469.db2.gz OVWXRVMNXRGBMQ-CBAPKCEASA-N 1 0 388.648 4.100 20 0 GIADRO Cc1sc2nc(-c3cccnc3)nc(N3CC[NH+](CC(C)C)CC3)c2c1C ZINC001164657423 719337307 /nfs/dbraw/zinc/33/73/07/719337307.db2.gz LDTYGAWKXMSRCG-UHFFFAOYSA-N 1 0 381.549 4.148 20 0 GIADRO COCc1nc2scc(-c3ccccc3)c2c(N2CC[NH+](CC(C)C)CC2)n1 ZINC000216458331 719338914 /nfs/dbraw/zinc/33/89/14/719338914.db2.gz GIAJGNWRKZQPBS-UHFFFAOYSA-N 1 0 396.560 4.283 20 0 GIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(Cl)ccc2C)CC3)cs1 ZINC001164691470 719803182 /nfs/dbraw/zinc/80/31/82/719803182.db2.gz HSTHWHJTQVGORO-UHFFFAOYSA-N 1 0 376.957 4.443 20 0 GIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nccc(C)c2Cl)CC3)cs1 ZINC001164694021 719807841 /nfs/dbraw/zinc/80/78/41/719807841.db2.gz UAQFOPFWCDEJBG-UHFFFAOYSA-N 1 0 376.957 4.443 20 0 GIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2cnc4ccc(F)cc4n2)CC3)cs1 ZINC001164694376 719807874 /nfs/dbraw/zinc/80/78/74/719807874.db2.gz WLNMJDGOEHWHHI-UHFFFAOYSA-N 1 0 397.523 4.169 20 0 GIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(C)c3cccc(C)c3n1)C2 ZINC001164808593 720076917 /nfs/dbraw/zinc/07/69/17/720076917.db2.gz IHJWFLPOJBCULW-HYBUGGRVSA-N 1 0 379.548 4.036 20 0 GIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nccc3c(Cl)cccc31)C2 ZINC001164812496 720110764 /nfs/dbraw/zinc/11/07/64/720110764.db2.gz OTKBGQJMTQXJKZ-VGSWGCGISA-N 1 0 385.939 4.073 20 0 GIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)cc3cc(C)ccc31)C2 ZINC001164813186 720147995 /nfs/dbraw/zinc/14/79/95/720147995.db2.gz PSVFCMKZFSHJBB-CVDCTZTESA-N 1 0 399.966 4.381 20 0 GIADRO Clc1cc(-c2ccnc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c2)ccn1 ZINC001164729895 720353928 /nfs/dbraw/zinc/35/39/28/720353928.db2.gz YUQIDGSOKZBGCA-PMACEKPBSA-N 1 0 391.906 4.045 20 0 GIADRO CC(C)(C)c1cc2ncnc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c2s1 ZINC001164726590 720358016 /nfs/dbraw/zinc/35/80/16/720358016.db2.gz PWQHANPNNKZKJV-ROUUACIJSA-N 1 0 393.560 4.237 20 0 GIADRO Cc1nc(C2CCCCC2)cc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164734747 720426768 /nfs/dbraw/zinc/42/67/68/720426768.db2.gz UAMHRIRHQXMHDH-VXKWHMMOSA-N 1 0 377.536 4.081 20 0 GIADRO c1ccc2c(c1)cc(N1CCCC1)nc2N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164735078 720449886 /nfs/dbraw/zinc/44/98/86/720449886.db2.gz VSVMASNQPBHMKA-GOTSBHOMSA-N 1 0 399.542 4.083 20 0 GIADRO Clc1cnc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c(-c2ccccc2)n1 ZINC001164735030 720453794 /nfs/dbraw/zinc/45/37/94/720453794.db2.gz VBNUVXUTUYJSTA-OALUTQOASA-N 1 0 391.906 4.045 20 0 GIADRO CC(C)c1cc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)nc(C(C)(C)C)n1 ZINC001164729426 720455808 /nfs/dbraw/zinc/45/58/08/720455808.db2.gz HKRUNWFCYMHOEC-PMACEKPBSA-N 1 0 379.552 4.146 20 0 GIADRO Fc1cccc2cc(Cl)nc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c12 ZINC001164731119 720489275 /nfs/dbraw/zinc/48/92/75/720489275.db2.gz VUIDHQJQUBMLDD-MSOLQXFVSA-N 1 0 382.870 4.276 20 0 GIADRO Cc1ccc2nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)ccc2c1 ZINC001164840694 720507447 /nfs/dbraw/zinc/50/74/47/720507447.db2.gz XICCOENKHJXLLJ-FUPPJEDESA-N 1 0 389.547 4.118 20 0 GIADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nccc3occc31)CC2 ZINC001164839888 720657202 /nfs/dbraw/zinc/65/72/02/720657202.db2.gz KQBNJLHFWNWRGY-IBGZPJMESA-N 1 0 377.488 4.088 20 0 GIADRO Cc1cccc2nc(Cl)nc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@H]3C)c12 ZINC001164861707 720984112 /nfs/dbraw/zinc/98/41/12/720984112.db2.gz QGUSTBRUDSNJQW-OAHLLOKOSA-N 1 0 398.942 4.210 20 0 GIADRO Cc1c[nH]c2nc(Cl)cc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@@H]3C)c12 ZINC001164859654 720995346 /nfs/dbraw/zinc/99/53/46/720995346.db2.gz KXSXQXAYEMHMFW-AWEZNQCLSA-N 1 0 386.931 4.143 20 0 GIADRO Cc1cccc(-c2ccc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@@H]3C)nn2)c1 ZINC001164859767 721002556 /nfs/dbraw/zinc/00/25/56/721002556.db2.gz MLNINYHNWLKCRR-SFHVURJKSA-N 1 0 390.535 4.070 20 0 GIADRO C[N@H+](Cc1ccc(N2CCC[C@@]3(C[C@@H](c4ccccc4)CO3)C2)nc1)C1CC1 ZINC001164772036 721061351 /nfs/dbraw/zinc/06/13/51/721061351.db2.gz OFLVRPCBHKNRHC-ZJSXRUAMSA-N 1 0 377.532 4.219 20 0 GIADRO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CC[C@@H]2O[C@@H](COc3cccnc3)CC[C@@H]21 ZINC001164878151 721252971 /nfs/dbraw/zinc/25/29/71/721252971.db2.gz SPGIYBIMCSSEJX-QYZOEREBSA-N 1 0 387.911 4.066 20 0 GIADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3[C@@H]2CC(=O)N3c2ccsc2)nc1 ZINC001164881278 721359416 /nfs/dbraw/zinc/35/94/16/721359416.db2.gz AVORWHIEXZIKPP-AABGKKOBSA-N 1 0 396.560 4.074 20 0 GIADRO Fc1ccc2nc(Cl)cc(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)c2c1 ZINC001164787520 721401062 /nfs/dbraw/zinc/40/10/62/721401062.db2.gz POKVYXJYJQHADW-CHWSQXEVSA-N 1 0 388.899 4.052 20 0 GIADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)ncc1Cl)CC2 ZINC001164792526 721490849 /nfs/dbraw/zinc/49/08/49/721490849.db2.gz KBESWWHNSAENOP-UHFFFAOYSA-N 1 0 392.334 4.059 20 0 GIADRO COc1ccc(Cl)nc1N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001164791998 721496806 /nfs/dbraw/zinc/49/68/06/721496806.db2.gz IXNOQNSARIAJME-UHFFFAOYSA-N 1 0 386.927 4.020 20 0 GIADRO CCc1nc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c(Cl)nc1C ZINC001164794531 721503563 /nfs/dbraw/zinc/50/35/63/721503563.db2.gz AKSYXGANEBVOKY-UHFFFAOYSA-N 1 0 399.970 4.277 20 0 GIADRO Cc1ccc(Cl)nc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906177 721583769 /nfs/dbraw/zinc/58/37/69/721583769.db2.gz ZLBWKYMMBZMZHA-IBGZPJMESA-N 1 0 392.881 4.176 20 0 GIADRO Cc1cc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)ncc1Cl ZINC001164906584 721694819 /nfs/dbraw/zinc/69/48/19/721694819.db2.gz NNVNTNQJLPHBGU-IBGZPJMESA-N 1 0 392.881 4.176 20 0 GIADRO Cc1nc2ccsc2c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165024580 721799159 /nfs/dbraw/zinc/79/91/59/721799159.db2.gz MFRMXJNBCYIFBM-HQRMLTQVSA-N 1 0 393.560 4.132 20 0 GIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(-c4ccccc4)nn3)C[C@H]21 ZINC001165026157 721804475 /nfs/dbraw/zinc/80/44/75/721804475.db2.gz QAIIJDAXDSVWMB-KIFXHHALSA-N 1 0 399.542 4.276 20 0 GIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4c(n3)CCCC4)C[C@@H]21 ZINC001165026473 721809350 /nfs/dbraw/zinc/80/93/50/721809350.db2.gz QSGYZFKGTJPADI-UNWVZKJWSA-N 1 0 376.548 4.092 20 0 GIADRO Cc1nc(Cl)cc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1C ZINC001165025872 721814528 /nfs/dbraw/zinc/81/45/28/721814528.db2.gz OAXYBNSCGRTNEO-DFQSSKMNSA-N 1 0 384.955 4.484 20 0 GIADRO Cc1cc(Cl)c(C)c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165023505 721815509 /nfs/dbraw/zinc/81/55/09/721815509.db2.gz HGPGNVSMCPGQFI-HFSMHLIXSA-N 1 0 384.955 4.484 20 0 GIADRO Cc1cc(Cl)c(C)nc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165024894 721817475 /nfs/dbraw/zinc/81/74/75/721817475.db2.gz KZRCTXBZRQBICM-CUWPLCDZSA-N 1 0 384.955 4.484 20 0 GIADRO CC(C)c1c(Cl)ncnc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165020646 721829650 /nfs/dbraw/zinc/82/96/50/721829650.db2.gz DAPVTNAJZUSJJT-WDSOQIARSA-N 1 0 399.970 4.385 20 0 GIADRO Cc1cccc(-c2cc(C(F)(F)N3CCC[C@@H]([NH+](C)C)C3)c(Cl)nn2)c1 ZINC001165036002 721899583 /nfs/dbraw/zinc/89/95/83/721899583.db2.gz FQZOFIOSZMTXMZ-OAHLLOKOSA-N 1 0 380.870 4.181 20 0 GIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ncc(C)cc4Cl)CC3)C2)cc1 ZINC001164939923 721921724 /nfs/dbraw/zinc/92/17/24/721921724.db2.gz WOFBWTCJFQDWFK-UHFFFAOYSA-N 1 0 385.939 4.223 20 0 GIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc5ccccc5cn4)CC3)C2)cc1 ZINC001164939855 721922661 /nfs/dbraw/zinc/92/26/61/721922661.db2.gz OGRHRZMAZBLSIB-UHFFFAOYSA-N 1 0 387.527 4.415 20 0 GIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccc(Cl)c(C)n4)CC3)C2)cc1 ZINC001164939333 721924674 /nfs/dbraw/zinc/92/46/74/721924674.db2.gz IXWKMGSUGSOTQP-UHFFFAOYSA-N 1 0 385.939 4.223 20 0 GIADRO CCSc1ccnc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)c1 ZINC001164941364 721933198 /nfs/dbraw/zinc/93/31/98/721933198.db2.gz HCESSPJKEKXKKH-UHFFFAOYSA-N 1 0 397.588 4.373 20 0 GIADRO CN(CC1CC[NH+](C)CC1)C(F)(F)c1ccc2c(Cl)nc(Cl)nc2c1 ZINC001165041014 721934430 /nfs/dbraw/zinc/93/44/30/721934430.db2.gz AWCQDAYANSVVFA-UHFFFAOYSA-N 1 0 389.277 4.260 20 0 GIADRO C[NH+](C)CC1CCN(c2cnc(Cl)nc2Oc2cccc(Cl)c2)CC1 ZINC001165043017 721950919 /nfs/dbraw/zinc/95/09/19/721950919.db2.gz YCCKACPPLOHHCF-UHFFFAOYSA-N 1 0 381.307 4.354 20 0 GIADRO O=C(Nc1ccccc1)c1ccnc(N2CCCC[C@H]2CC[NH+]2CCCC2)c1 ZINC001165047547 721971124 /nfs/dbraw/zinc/97/11/24/721971124.db2.gz KLQSOOJYUGOBTD-NRFANRHFSA-N 1 0 378.520 4.179 20 0 GIADRO CC[NH+](CC)C1CCN(c2cc(-c3nc(-c4cccs4)no3)ccn2)CC1 ZINC001165053579 722006882 /nfs/dbraw/zinc/00/68/82/722006882.db2.gz ABJBYZZBFOAVRU-UHFFFAOYSA-N 1 0 383.521 4.171 20 0 GIADRO Clc1cccc2c1ncnc2N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164953751 722014805 /nfs/dbraw/zinc/01/48/05/722014805.db2.gz XZNPCXODCPAXRB-UHFFFAOYSA-N 1 0 393.922 4.171 20 0 GIADRO Clc1ccc(Cl)c2nc(N3CC[NH+](CCc4ccccn4)CC3)ccc12 ZINC001165054874 722020018 /nfs/dbraw/zinc/02/00/18/722020018.db2.gz HMRQAPJWNCCRFU-UHFFFAOYSA-N 1 0 387.314 4.301 20 0 GIADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2ncnc4nc(Cl)ccc42)C3)c1 ZINC001164995579 722194987 /nfs/dbraw/zinc/19/49/87/722194987.db2.gz VSEDRSNNNBSHJS-NRFANRHFSA-N 1 0 397.885 4.062 20 0 GIADRO COc1ccc2cnc(N3CCC[C@@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)nc2c1 ZINC001164995452 722197318 /nfs/dbraw/zinc/19/73/18/722197318.db2.gz UZTMYORELWLZSU-HSZRJFAPSA-N 1 0 392.478 4.022 20 0 GIADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2ccc(-c4ccco4)nn2)C3)c1 ZINC001164994065 722210139 /nfs/dbraw/zinc/21/01/39/722210139.db2.gz FFRWTUPIFXECCO-JOCHJYFZSA-N 1 0 378.451 4.121 20 0 GIADRO c1ccc(C[C@H]2[C@@H](OCC3CC3)CCN2c2ncccc2C[NH+]2CCCC2)cc1 ZINC001165005200 722272101 /nfs/dbraw/zinc/27/21/01/722272101.db2.gz FRINJMUISGWBQL-ZEQRLZLVSA-N 1 0 391.559 4.294 20 0 GIADRO Cc1ccc(C(=O)NCC2CC2)cc1N[C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000187333873 823045092 /nfs/dbraw/zinc/04/50/92/823045092.db2.gz MTNKQDKIMXUYKV-GOSISDBHSA-N 1 0 395.547 4.248 20 0 GIADRO COc1ccc(-c2csc(CNC(=O)N(C)[C@H]3CC[N@@H+](C(C)C)C3)c2)cc1 ZINC000458477076 823045194 /nfs/dbraw/zinc/04/51/94/823045194.db2.gz AXAUEOZGFWYLLG-SFHVURJKSA-N 1 0 387.549 4.048 20 0 GIADRO Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@H](C)C1CCSCC1 ZINC000187339460 823045798 /nfs/dbraw/zinc/04/57/98/823045798.db2.gz DSSHBDFPMIUYMG-CYBMUJFWSA-N 1 0 385.371 4.207 20 0 GIADRO Cc1cc(C[NH2+][C@@H](C)C2CCS(=O)(=O)CC2)ccc1Oc1ccc(F)cc1 ZINC000187339403 823045851 /nfs/dbraw/zinc/04/58/51/823045851.db2.gz BDNZMPHYHNTZLF-INIZCTEOSA-N 1 0 391.508 4.229 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH2+][C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000187340472 823045997 /nfs/dbraw/zinc/04/59/97/823045997.db2.gz VLRFKGOLGYZXIS-QGZVFWFLSA-N 1 0 385.471 4.189 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000187343805 823046595 /nfs/dbraw/zinc/04/65/95/823046595.db2.gz JVEWDSSPXKZPEI-HXUWFJFHSA-N 1 0 386.854 4.373 20 0 GIADRO CCS[C@H]1CCCC[C@H]1NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458489052 823046792 /nfs/dbraw/zinc/04/67/92/823046792.db2.gz HZYULQWHNQUUJQ-CVEARBPZSA-N 1 0 395.535 4.109 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3s2)CC[NH2+]1 ZINC000570501470 823047228 /nfs/dbraw/zinc/04/72/28/823047228.db2.gz IOUONXWHYXABPC-SUMDDJOVSA-N 1 0 394.544 4.020 20 0 GIADRO Cc1ccccc1NC(=O)CC[N@H+]1CCCC[C@@H]1c1nc2ccccc2n1C ZINC000570506653 823047788 /nfs/dbraw/zinc/04/77/88/823047788.db2.gz FMMAJOTUDGLEJL-OAQYLSRUSA-N 1 0 376.504 4.438 20 0 GIADRO Clc1ccc(-n2cc(N[C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)cn2)cc1 ZINC000570507655 823047997 /nfs/dbraw/zinc/04/79/97/823047997.db2.gz YZILPVCXOVYPEH-PZJWPPBQSA-N 1 0 380.879 4.194 20 0 GIADRO CC[C@@H](CC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1)c1ccc(OC)cc1 ZINC000570508053 823048028 /nfs/dbraw/zinc/04/80/28/823048028.db2.gz IUSDWEWIJJCHJE-USCONSEESA-N 1 0 384.495 4.061 20 0 GIADRO CC(C)CNC(=O)c1cccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)c1 ZINC000175821609 823048141 /nfs/dbraw/zinc/04/81/41/823048141.db2.gz GQACCTYXXJFVJC-UXHICEINSA-N 1 0 386.561 4.222 20 0 GIADRO CCOC(=O)c1c(C)c2ccccc2nc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000570511920 823048216 /nfs/dbraw/zinc/04/82/16/823048216.db2.gz KRMHGYQRLSZLLK-LAUBAEHRSA-N 1 0 382.504 4.111 20 0 GIADRO C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000570515126 823048680 /nfs/dbraw/zinc/04/86/80/823048680.db2.gz GFXPSQACRWKTSY-CRAIPNDOSA-N 1 0 379.504 4.173 20 0 GIADRO O=C(CC[N@H+]1CCC[C@@H]1C[C@H](O)c1cccs1)Nc1ccccc1Cl ZINC000175830021 823049651 /nfs/dbraw/zinc/04/96/51/823049651.db2.gz QHKLFOZUYGGSQP-PBHICJAKSA-N 1 0 378.925 4.318 20 0 GIADRO Cc1cc([C@H]([NH2+][C@H]2CCC[C@H](N3CCCC3=O)C2)c2cccnc2)ccc1F ZINC000570528676 823050332 /nfs/dbraw/zinc/05/03/32/823050332.db2.gz IHGFMKNDLWHXBA-JTAQYXEDSA-N 1 0 381.495 4.142 20 0 GIADRO CCOc1ccc([C@@H](C)NC(=O)CCC[NH2+][C@@H](C)C2CCSCC2)cc1 ZINC000187366501 823050521 /nfs/dbraw/zinc/05/05/21/823050521.db2.gz AVWBMAASPPIWBW-DLBZAZTESA-N 1 0 378.582 4.164 20 0 GIADRO Fc1ccc(Cn2cc(C[N@@H+]3CC[C@H](COCc4ccccc4)C3)cn2)cc1 ZINC000187371181 823051390 /nfs/dbraw/zinc/05/13/90/823051390.db2.gz LOVOVRYRVYXYBV-NRFANRHFSA-N 1 0 379.479 4.109 20 0 GIADRO CCCC[N@H+](CC)Cc1cccc(CNC(=O)N[C@H]2C[C@@H](C)n3ccnc32)c1 ZINC000458536504 823052263 /nfs/dbraw/zinc/05/22/63/823052263.db2.gz GMOMWOAUAJHZLI-XLIONFOSSA-N 1 0 383.540 4.010 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(Cc3ccccn3)C2=O)c2ccccc12 ZINC000570551123 823053409 /nfs/dbraw/zinc/05/34/09/823053409.db2.gz TWTCFUOYQYBPSQ-VGOFRKELSA-N 1 0 389.499 4.085 20 0 GIADRO C[C@@H](NC(=O)NC(C)(C)CCC[NH+](C)C)c1ccc(OCC2CC2)c(F)c1 ZINC000458549879 823054359 /nfs/dbraw/zinc/05/43/59/823054359.db2.gz UFZVJJVNASDQOS-OAHLLOKOSA-N 1 0 379.520 4.095 20 0 GIADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CCCSc1ccc(Br)cc1 ZINC000120750485 823056967 /nfs/dbraw/zinc/05/69/67/823056967.db2.gz VDTWSAVTPDSQRW-PBHICJAKSA-N 1 0 399.398 4.120 20 0 GIADRO C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458569186 823057485 /nfs/dbraw/zinc/05/74/85/823057485.db2.gz BOKVHDUEPKNODZ-DNVCBOLYSA-N 1 0 397.485 4.368 20 0 GIADRO CCn1c(Cc2ccc3ccccc3c2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000570585028 823057629 /nfs/dbraw/zinc/05/76/29/823057629.db2.gz FVQZOYQEPIXQMT-UHFFFAOYSA-N 1 0 377.536 4.009 20 0 GIADRO CC1CC[NH+](C2CCC(NC(=O)N3CC(C)(CC(F)(F)F)C3)CC2)CC1 ZINC000458573727 823058131 /nfs/dbraw/zinc/05/81/31/823058131.db2.gz OCOCOIVJLOLWNP-UHFFFAOYSA-N 1 0 375.479 4.013 20 0 GIADRO Cc1ccc(NC(=O)CC[NH2+]Cc2ccccc2COCc2ccccc2)nc1 ZINC000570589258 823058209 /nfs/dbraw/zinc/05/82/09/823058209.db2.gz QLUKJYAFDDUTJE-UHFFFAOYSA-N 1 0 389.499 4.225 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)NCc1cc(Cl)sc1Cl ZINC000458594454 823061042 /nfs/dbraw/zinc/06/10/42/823061042.db2.gz GLKNIGJYZDQPQW-UHFFFAOYSA-N 1 0 392.377 4.390 20 0 GIADRO CCC1(CNC(=O)N(C)Cc2cccc(C)n2)CC[NH+](Cc2ccccc2)CC1 ZINC000458595891 823061350 /nfs/dbraw/zinc/06/13/50/823061350.db2.gz OSZNURFUQMUGJV-UHFFFAOYSA-N 1 0 394.563 4.224 20 0 GIADRO C[C@H](NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)c1cccc(F)c1F ZINC000458607673 823062921 /nfs/dbraw/zinc/06/29/21/823062921.db2.gz KUPFPRSVXQGOEY-LBPRGKRZSA-N 1 0 393.400 4.084 20 0 GIADRO O=C(Nc1c(F)cccc1Cl)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000570630196 823064506 /nfs/dbraw/zinc/06/45/06/823064506.db2.gz PEZPZCJATCNSBO-DLBZAZTESA-N 1 0 387.886 4.465 20 0 GIADRO C[C@H](N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1cccc(N2CCOC2=O)c1 ZINC000120795425 823065531 /nfs/dbraw/zinc/06/55/31/823065531.db2.gz QKZOGXJBLKYVNS-AVRDEDQJSA-N 1 0 379.504 4.131 20 0 GIADRO COc1ccc(C[N@@H+](Cc2ccccc2)C[C@@H](C)O)c(OCc2cccnc2)c1 ZINC000570638515 823065572 /nfs/dbraw/zinc/06/55/72/823065572.db2.gz JONDZGPEDIYUJS-LJQANCHMSA-N 1 0 392.499 4.052 20 0 GIADRO Cc1cnccc1C[NH2+]C1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000570640846 823065689 /nfs/dbraw/zinc/06/56/89/823065689.db2.gz QRYWSHFICDQEIT-UHFFFAOYSA-N 1 0 393.300 4.173 20 0 GIADRO [NH3+]CC12CCC(CC1)CN2C(=O)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000570641633 823065909 /nfs/dbraw/zinc/06/59/09/823065909.db2.gz VGPSQMNVAIDAOS-JBLFJGJOSA-N 1 0 381.545 4.076 20 0 GIADRO C[C@H](NC(=O)N1CCc2c(Cl)cc(F)cc2C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000458627234 823066003 /nfs/dbraw/zinc/06/60/03/823066003.db2.gz GRLUHNMPZWZXBN-GJZGRUSLSA-N 1 0 393.934 4.200 20 0 GIADRO C[N@@H+]1CC[C@@H](CNC(=O)NC2(C3(C)CC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000458629268 823066435 /nfs/dbraw/zinc/06/64/35/823066435.db2.gz WSUOCSXBAOCTMW-WMLDXEAASA-N 1 0 379.907 4.104 20 0 GIADRO COc1ccccc1-c1ccc([C@H](C)NC(=O)C2CC[NH+](C3CC3)CC2)cc1 ZINC000570649109 823066796 /nfs/dbraw/zinc/06/67/96/823066796.db2.gz HYCKDNRZSALVTC-KRWDZBQOSA-N 1 0 378.516 4.414 20 0 GIADRO C[C@@H](NC(=O)N1CC(c2cccc(Cl)c2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000458630171 823066817 /nfs/dbraw/zinc/06/68/17/823066817.db2.gz KHVGWTIYDIMSNL-NVXWUHKLSA-N 1 0 375.944 4.102 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)NCC2(c3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000187456103 823066838 /nfs/dbraw/zinc/06/68/38/823066838.db2.gz PWUGHSRTQIIQEJ-UHFFFAOYSA-N 1 0 397.485 4.253 20 0 GIADRO O=C(CCC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)c1csc2ccccc12 ZINC000120802339 823067001 /nfs/dbraw/zinc/06/70/01/823067001.db2.gz IDIKKNNCBUANCI-QGZVFWFLSA-N 1 0 384.545 4.199 20 0 GIADRO C[C@H](NC(=O)N1CC[C@H](c2cccc(Cl)c2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000458632068 823067047 /nfs/dbraw/zinc/06/70/47/823067047.db2.gz NCYRPYCPWFANKQ-UHOSZYNNSA-N 1 0 389.971 4.492 20 0 GIADRO COc1cccc(C2CC[NH+]([C@H]3CCN([C@H](C)c4ccc(F)cc4)C3=O)CC2)c1 ZINC000570651059 823067158 /nfs/dbraw/zinc/06/71/58/823067158.db2.gz PXPSTUMJORZVSI-HXOBKFHXSA-N 1 0 396.506 4.376 20 0 GIADRO CO[C@H](C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1)c1ccccc1 ZINC000570654123 823067417 /nfs/dbraw/zinc/06/74/17/823067417.db2.gz YVKWMAPTEIXRMG-PQNGQFLHSA-N 1 0 389.499 4.478 20 0 GIADRO C[C@@H](N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000120808309 823068397 /nfs/dbraw/zinc/06/83/97/823068397.db2.gz BIQJCIHWTQRCJO-JPYJTQIMSA-N 1 0 392.547 4.458 20 0 GIADRO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000055936284 823068467 /nfs/dbraw/zinc/06/84/67/823068467.db2.gz WVDVEMFRTFVYQB-CQSZACIVSA-N 1 0 386.367 4.374 20 0 GIADRO CC[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1nc(-c2cc(OC)c(OC)c(OC)c2)no1 ZINC000120818166 823070361 /nfs/dbraw/zinc/07/03/61/823070361.db2.gz KVGOVKMBJYRWGL-ZBFHGGJFSA-N 1 0 389.496 4.163 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)NC[C@H]1CCCC1(F)F)c1cccc(C(F)(F)F)c1 ZINC000458656909 823070591 /nfs/dbraw/zinc/07/05/91/823070591.db2.gz UHFPARDWUVKWRW-CABCVRRESA-N 1 0 393.400 4.043 20 0 GIADRO C[C@H](NC(=O)C[C@@H]1CCCC[C@H]1[NH3+])c1cccc(NC(=O)c2ccccc2)c1 ZINC000570679539 823071272 /nfs/dbraw/zinc/07/12/72/823071272.db2.gz OEMSIKGDCJJQDQ-NBHGPNQESA-N 1 0 379.504 4.024 20 0 GIADRO C[NH+](C)CC(C)(C)NC(=O)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000458662380 823071304 /nfs/dbraw/zinc/07/13/04/823071304.db2.gz AVMXSKOKFLGEBW-CYBMUJFWSA-N 1 0 399.379 4.338 20 0 GIADRO Cc1cc(Br)cc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1 ZINC000187503805 823076771 /nfs/dbraw/zinc/07/67/71/823076771.db2.gz PPHXODOGNXVHQJ-SJORKVTESA-N 1 0 380.330 4.237 20 0 GIADRO CCN(CC)[C@H](C[NH2+]Cc1c[nH]nc1-c1cccnc1)c1ccccc1Cl ZINC000120839345 823074348 /nfs/dbraw/zinc/07/43/48/823074348.db2.gz AFXLEMDZQPWBHV-HXUWFJFHSA-N 1 0 383.927 4.298 20 0 GIADRO O=C(Cc1coc(-c2ccccc2)n1)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000570714456 823074646 /nfs/dbraw/zinc/07/46/46/823074646.db2.gz IIQQSHITBVSXTK-UHFFFAOYSA-N 1 0 381.520 4.141 20 0 GIADRO CC(C)C1CCC([NH+]2CCN([C@@H](C)C(=O)Nc3c(F)cccc3F)CC2)CC1 ZINC000175927480 823075008 /nfs/dbraw/zinc/07/50/08/823075008.db2.gz HIPNTSXRNVOCRW-AOCRQIFASA-N 1 0 393.522 4.124 20 0 GIADRO CCOCc1cccc(NC(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000175929922 823075597 /nfs/dbraw/zinc/07/55/97/823075597.db2.gz GXPXOPPVOUMMKQ-XLIONFOSSA-N 1 0 387.549 4.489 20 0 GIADRO Cn1c2ccc(C(F)(F)F)cc2nc1C[NH2+]Cc1ccc(C(C)(C)O)cc1 ZINC000187501271 823076285 /nfs/dbraw/zinc/07/62/85/823076285.db2.gz WAACIBQSRBZUQE-UHFFFAOYSA-N 1 0 377.410 4.109 20 0 GIADRO Cc1ccc(C(=O)N2CC[NH+](CCC(C)(C)C)CC2)cc1NC(=O)c1ccco1 ZINC000056043026 823081498 /nfs/dbraw/zinc/08/14/98/823081498.db2.gz TXKDMJGURZLSJU-UHFFFAOYSA-N 1 0 397.519 4.034 20 0 GIADRO C[C@H](c1cccnc1)[N@H+](C)Cc1cc(Br)cc(Br)c1N ZINC000187516555 823079450 /nfs/dbraw/zinc/07/94/50/823079450.db2.gz JIAMDTWXTIPHNA-SNVBAGLBSA-N 1 0 399.130 4.382 20 0 GIADRO CCOc1cc(NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)ccc1OC ZINC000175948039 823079900 /nfs/dbraw/zinc/07/99/00/823079900.db2.gz AZVUGWKYMWHSEZ-UHFFFAOYSA-N 1 0 397.519 4.222 20 0 GIADRO Cc1oc(-c2ccsc2)nc1CC(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000570744479 823080114 /nfs/dbraw/zinc/08/01/14/823080114.db2.gz ZVSKBHAYNQGANY-SFHVURJKSA-N 1 0 397.500 4.278 20 0 GIADRO C[C@H](N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1noc(-c2ccccc2)n1 ZINC000570746060 823080233 /nfs/dbraw/zinc/08/02/33/823080233.db2.gz SJWSOXDHCPOSJC-WFXMLNOXSA-N 1 0 376.504 4.298 20 0 GIADRO CC(C)n1ncc2cc(C[N@@H+]3CC[C@@H](OCCCc4ccccc4)C3)cnc21 ZINC000175950719 823080366 /nfs/dbraw/zinc/08/03/66/823080366.db2.gz CULLMGQTSQCJDK-JOCHJYFZSA-N 1 0 378.520 4.236 20 0 GIADRO COc1ccc([C@H](C)CC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000175952543 823080825 /nfs/dbraw/zinc/08/08/25/823080825.db2.gz PMWLSMZZVNCMJO-MSOLQXFVSA-N 1 0 386.561 4.279 20 0 GIADRO Cc1c(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)oc2c1C(=O)CCC2 ZINC000056042474 823081241 /nfs/dbraw/zinc/08/12/41/823081241.db2.gz PZQCKQHQNPZUJO-UHFFFAOYSA-N 1 0 380.488 4.388 20 0 GIADRO C[C@@H]1CCC[C@@H](CNC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)[C@@H]1C ZINC000458749579 823081312 /nfs/dbraw/zinc/08/13/12/823081312.db2.gz TUNPZFLPBDNJNT-OAGGEKHMSA-N 1 0 377.495 4.117 20 0 GIADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Nc1ccc(C)cc1OC ZINC000175959411 823082549 /nfs/dbraw/zinc/08/25/49/823082549.db2.gz ZPLPTSFEXYYUNR-UHFFFAOYSA-N 1 0 375.435 4.132 20 0 GIADRO Fc1cc(-c2ccncc2)ccc1C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000120890713 823082851 /nfs/dbraw/zinc/08/28/51/823082851.db2.gz KIRXDJOTIIVFID-UHFFFAOYSA-N 1 0 387.462 4.310 20 0 GIADRO CC(C)Oc1ccc(NC(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000570765193 823083409 /nfs/dbraw/zinc/08/34/09/823083409.db2.gz WZMKDHNEWFTUDI-NHCUHLMSSA-N 1 0 393.531 4.460 20 0 GIADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Nc1ccc2c(c1)CCCO2 ZINC000175976745 823086861 /nfs/dbraw/zinc/08/68/61/823086861.db2.gz MIWVPXYAPWMZLG-UHFFFAOYSA-N 1 0 387.446 4.140 20 0 GIADRO CCCCOc1cc(C[NH+]2CCC(c3nnc4ccccn43)CC2)ccc1OC ZINC000120907488 823085151 /nfs/dbraw/zinc/08/51/51/823085151.db2.gz YWUVANDDSYXHTG-UHFFFAOYSA-N 1 0 394.519 4.296 20 0 GIADRO COc1cccc([C@H](O)C[NH2+][C@@H](c2ccc(Br)s2)C2CC2)c1 ZINC000190605088 823590742 /nfs/dbraw/zinc/59/07/42/823590742.db2.gz XRINTDBPUBJHKD-RHSMWYFYSA-N 1 0 382.323 4.294 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(C)cc2-c2nc(C3CC3)no2)[C@H](C)C1 ZINC000120913908 823086005 /nfs/dbraw/zinc/08/60/05/823086005.db2.gz RFJJXHZBQCKTDP-BEFAXECRSA-N 1 0 397.523 4.116 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)Nc2ccc3scnc3c2)CC1 ZINC000175975781 823086477 /nfs/dbraw/zinc/08/64/77/823086477.db2.gz BHCYVCVVOPLENQ-UHFFFAOYSA-N 1 0 380.517 4.425 20 0 GIADRO CN(C(=O)NC[C@@H](c1ccccc1)C1CC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458798769 823087339 /nfs/dbraw/zinc/08/73/39/823087339.db2.gz UHUKCQPYSUIDFO-IBGZPJMESA-N 1 0 397.485 4.238 20 0 GIADRO CN(C(=O)NC[C@H](c1ccccc1)C1CC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458798772 823087385 /nfs/dbraw/zinc/08/73/85/823087385.db2.gz UHUKCQPYSUIDFO-LJQANCHMSA-N 1 0 397.485 4.238 20 0 GIADRO Cc1cccc2[nH]cc(CCNC(=O)c3oc4ccccc4c3C[NH+](C)C)c21 ZINC000176000095 823092204 /nfs/dbraw/zinc/09/22/04/823092204.db2.gz MJDIEDWGBSTGCX-UHFFFAOYSA-N 1 0 375.472 4.257 20 0 GIADRO CCOC(=O)N1CCC([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc3ccccc32)CC1 ZINC000187556638 823087857 /nfs/dbraw/zinc/08/78/57/823087857.db2.gz NNBJAKWWSGDNKR-SJORKVTESA-N 1 0 397.519 4.013 20 0 GIADRO C[C@@H](C[C@@H](O)c1ccco1)[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000120927934 823087952 /nfs/dbraw/zinc/08/79/52/823087952.db2.gz ZZAWUYHGYPAHPE-IFXJQAMLSA-N 1 0 380.891 4.138 20 0 GIADRO C[C@H](C[C@@H](O)c1ccco1)[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000120928074 823088088 /nfs/dbraw/zinc/08/80/88/823088088.db2.gz ZZAWUYHGYPAHPE-AUUYWEPGSA-N 1 0 380.891 4.138 20 0 GIADRO OC1(c2ccccc2)CC[NH+](Cc2ccc(OCc3ccccc3F)nc2)CC1 ZINC000187557077 823088099 /nfs/dbraw/zinc/08/80/99/823088099.db2.gz VEMQWNXEMMFRSQ-UHFFFAOYSA-N 1 0 392.474 4.283 20 0 GIADRO Cc1cccc(C)c1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000056159672 823092291 /nfs/dbraw/zinc/09/22/91/823092291.db2.gz VBMYYNMULMMNGQ-IRXDYDNUSA-N 1 0 394.519 4.265 20 0 GIADRO COc1ccc(CN[C@H](C)C[NH+]2CCCCCC2)cc1OCc1cccnc1 ZINC000187564609 823089182 /nfs/dbraw/zinc/08/91/82/823089182.db2.gz QLZGUJUPAFCNES-LJQANCHMSA-N 1 0 383.536 4.023 20 0 GIADRO Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000570800885 823089176 /nfs/dbraw/zinc/08/91/76/823089176.db2.gz AZQITESRZDCJSR-GOSISDBHSA-N 1 0 394.519 4.101 20 0 GIADRO CC(C)CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000056153073 823089859 /nfs/dbraw/zinc/08/98/59/823089859.db2.gz CTACSVGWRONMHF-ZWKOTPCHSA-N 1 0 381.520 4.140 20 0 GIADRO CCc1cc2c(C[NH2+][C@@H](C)c3cc(OC)c(OC)cc3C)cc(=O)oc2cc1O ZINC000056154107 823090317 /nfs/dbraw/zinc/09/03/17/823090317.db2.gz YXXYBILCLUPCBG-AWEZNQCLSA-N 1 0 397.471 4.237 20 0 GIADRO COc1cc(C)c([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2Cl)cc1OC ZINC000056154044 823090482 /nfs/dbraw/zinc/09/04/82/823090482.db2.gz NKIQCGMWRPIAOS-KBPBESRZSA-N 1 0 376.884 4.343 20 0 GIADRO CC(C)CC(=O)Nc1ccc(NC(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)cc1 ZINC000570811920 823090576 /nfs/dbraw/zinc/09/05/76/823090576.db2.gz PSDFHFCBYRYKDU-GOSISDBHSA-N 1 0 396.535 4.313 20 0 GIADRO CC(C)c1ccc(OC2CCN(C(=O)Nc3ccc4c(c3)C[NH2+]C4)CC2)cc1 ZINC000570811774 823090697 /nfs/dbraw/zinc/09/06/97/823090697.db2.gz QNRHGKTZJVKFBE-UHFFFAOYSA-N 1 0 379.504 4.489 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(Cl)c(Br)c2)[C@H](C)C1 ZINC000120949036 823091386 /nfs/dbraw/zinc/09/13/86/823091386.db2.gz PAOXVVHUIUJKAZ-ABAIWWIYSA-N 1 0 388.737 4.297 20 0 GIADRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2cccc(OC(C)C)c2)cc1OC ZINC000056156731 823091438 /nfs/dbraw/zinc/09/14/38/823091438.db2.gz UEUQCAHBMVBFPK-CVEARBPZSA-N 1 0 386.492 4.169 20 0 GIADRO C[C@H]([NH2+][C@H]1CCC[C@@H](N2CCCC2=O)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000570828006 823092620 /nfs/dbraw/zinc/09/26/20/823092620.db2.gz SEOWRNDHPKJAEN-BHYGNILZSA-N 1 0 384.442 4.212 20 0 GIADRO CCN(CCC[NH+]1CCCC1)C(=O)NCC[C@H](c1ccccc1)C(F)(F)F ZINC000458819823 823091780 /nfs/dbraw/zinc/09/17/80/823091780.db2.gz PSQFBWZVIBTSEX-GOSISDBHSA-N 1 0 385.474 4.240 20 0 GIADRO 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 ZINC000458821162 823091919 /nfs/dbraw/zinc/09/19/19/823091919.db2.gz SSPMJNJPYQJZNB-ISARSNTHSA-N 1 0 397.485 4.094 20 0 GIADRO CN(C(=O)NC[C@@H]1CCCCC(F)(F)C1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458821975 823092049 /nfs/dbraw/zinc/09/20/49/823092049.db2.gz WNXLINBOUBXWGX-CQSZACIVSA-N 1 0 399.448 4.260 20 0 GIADRO 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 ZINC000458821163 823092118 /nfs/dbraw/zinc/09/21/18/823092118.db2.gz SSPMJNJPYQJZNB-QFHJOOASSA-N 1 0 397.485 4.094 20 0 GIADRO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)cc1F ZINC000056159649 823092141 /nfs/dbraw/zinc/09/21/41/823092141.db2.gz OPKSRODEMNJNQL-LSDHHAIUSA-N 1 0 398.482 4.096 20 0 GIADRO CCCOc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cc(F)ccc2F)cc1OC ZINC000056161928 823092712 /nfs/dbraw/zinc/09/27/12/823092712.db2.gz BVAUGMXNHIKFJF-KBPBESRZSA-N 1 0 392.446 4.440 20 0 GIADRO CCCOc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(F)cc2F)cc1OC ZINC000056161925 823092747 /nfs/dbraw/zinc/09/27/47/823092747.db2.gz UEQFHULPLMOIQA-ZIAGYGMSSA-N 1 0 392.446 4.440 20 0 GIADRO CCCOc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(N(C)C)cc2)cc1OC ZINC000056161832 823092862 /nfs/dbraw/zinc/09/28/62/823092862.db2.gz GPBCQFMCWUWCPG-DLBZAZTESA-N 1 0 399.535 4.228 20 0 GIADRO CCCOc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2OC)cc1OC ZINC000056161962 823093106 /nfs/dbraw/zinc/09/31/06/823093106.db2.gz VJDHUBOFCWHCEA-HOTGVXAUSA-N 1 0 386.492 4.170 20 0 GIADRO Cc1nc(COc2ccc(C[N@@H+]3CC[C@@H](c4c(F)cccc4F)C3)cc2)no1 ZINC000187595537 823094568 /nfs/dbraw/zinc/09/45/68/823094568.db2.gz UUWOMGYINRUBFW-MRXNPFEDSA-N 1 0 385.414 4.225 20 0 GIADRO C[NH+](C)CCCCC(=O)N[C@@H]1CCN(C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000570845168 823094613 /nfs/dbraw/zinc/09/46/13/823094613.db2.gz GJTJULNBVUNRAB-QUCCMNQESA-N 1 0 397.966 4.241 20 0 GIADRO CC[NH+]1CCN(c2ccc(N[C@@H](C)C(=O)Nc3ccc(C)cc3C)c(C)c2)CC1 ZINC000056170276 823094664 /nfs/dbraw/zinc/09/46/64/823094664.db2.gz BDAFNSFLBLRNAC-FQEVSTJZSA-N 1 0 394.563 4.193 20 0 GIADRO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]Cc1nc(C(C)(C)NC(=O)OC(C)(C)C)no1 ZINC000120968547 823094778 /nfs/dbraw/zinc/09/47/78/823094778.db2.gz GIIRHMKDOGIJEE-KBPBESRZSA-N 1 0 380.533 4.134 20 0 GIADRO CCCCc1noc([C@H](C)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)n1 ZINC000056170848 823095256 /nfs/dbraw/zinc/09/52/56/823095256.db2.gz GRZUTJVCNPJXLY-KRWDZBQOSA-N 1 0 399.539 4.400 20 0 GIADRO CN(C(=O)NC[C@]1(C)C[C@H]1c1ccccc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458836405 823095312 /nfs/dbraw/zinc/09/53/12/823095312.db2.gz VJOFYIQJBHDPLF-ICSRJNTNSA-N 1 0 397.485 4.238 20 0 GIADRO CCOc1cccc(NC(=O)C(=O)Nc2cccc3c2C[N@@H+]([C@@H](C)C(C)C)C3)c1 ZINC000187598503 823095353 /nfs/dbraw/zinc/09/53/53/823095353.db2.gz WVQFOAWLRIRZJI-INIZCTEOSA-N 1 0 395.503 4.023 20 0 GIADRO O=C(NCC[C@@H](c1ccccc1)C(F)(F)F)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000458853965 823097915 /nfs/dbraw/zinc/09/79/15/823097915.db2.gz WTDRUPPEXUDLCU-OALUTQOASA-N 1 0 397.485 4.383 20 0 GIADRO NS(=O)(=O)c1ccc2c(c1)[C@@H]([NH2+][C@@H](c1ccccc1)C1CCCC1)CCC2 ZINC000570862765 823097957 /nfs/dbraw/zinc/09/79/57/823097957.db2.gz OASPAMHBIJGUTE-VXKWHMMOSA-N 1 0 384.545 4.233 20 0 GIADRO CN(Cc1ccccc1C(F)(F)F)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000176012497 823095629 /nfs/dbraw/zinc/09/56/29/823095629.db2.gz SCVFFYAAOKKTAZ-UHFFFAOYSA-N 1 0 383.458 4.254 20 0 GIADRO CCSc1cccnc1C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000570852358 823095661 /nfs/dbraw/zinc/09/56/61/823095661.db2.gz VGAMPXOYTVUBDA-MRXNPFEDSA-N 1 0 389.590 4.158 20 0 GIADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)c1cc2ccc(OC)cc2nc1C)c1ccco1 ZINC000570855690 823096288 /nfs/dbraw/zinc/09/62/88/823096288.db2.gz XXMBFONBKRQKJZ-XOBRGWDASA-N 1 0 381.476 4.004 20 0 GIADRO C[NH+](C)CCN(Cc1cccs1)C(=O)Nc1ccccc1CC(F)(F)F ZINC000176019814 823097273 /nfs/dbraw/zinc/09/72/73/823097273.db2.gz WHAXGGFUOHRUPO-UHFFFAOYSA-N 1 0 385.455 4.449 20 0 GIADRO CN(Cc1ccccc1OC(F)(F)F)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000176023642 823098321 /nfs/dbraw/zinc/09/83/21/823098321.db2.gz HKVRXKUXRYHBLF-UHFFFAOYSA-N 1 0 399.457 4.134 20 0 GIADRO C/C(=C\c1ccccc1OC(F)F)C[NH+]1CCC(CC(=O)N2CCCC2)CC1 ZINC000570865297 823098358 /nfs/dbraw/zinc/09/83/58/823098358.db2.gz ZIDMBWVWYAOFDO-SAPNQHFASA-N 1 0 392.490 4.416 20 0 GIADRO CC[C@H](NC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)c1ccncc1 ZINC000176027062 823099054 /nfs/dbraw/zinc/09/90/54/823099054.db2.gz GIXXSTQTEOLNDM-QFIPXVFZSA-N 1 0 380.536 4.408 20 0 GIADRO C[C@H](NC(=O)NC(C)(C)CCC[NH+](C)C)c1ccc(F)c(Br)c1 ZINC000458870485 823099497 /nfs/dbraw/zinc/09/94/97/823099497.db2.gz DMZOILZZFDGFIW-LBPRGKRZSA-N 1 0 388.325 4.069 20 0 GIADRO CCc1ccc([C@H](NC(=O)C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)c2cccs2)cc1 ZINC000570871905 823099717 /nfs/dbraw/zinc/09/97/17/823099717.db2.gz QQZPUAJLYGBXDJ-MZKRTTBSSA-N 1 0 398.572 4.160 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)Nc2cccc(OCC(F)(F)F)c2C)CC1 ZINC000176029372 823099807 /nfs/dbraw/zinc/09/98/07/823099807.db2.gz XBAGZVZXCQHORU-UHFFFAOYSA-N 1 0 387.446 4.180 20 0 GIADRO O=C(Nc1cccc(C(F)(F)F)c1)[C@H]([NH2+]C[C@H]1CCCOC1)c1ccccc1 ZINC000056205935 823102943 /nfs/dbraw/zinc/10/29/43/823102943.db2.gz ZQEJHHCLUZRZSG-DNVCBOLYSA-N 1 0 392.421 4.401 20 0 GIADRO O=C(NC1CC[NH+](C2CCCC2)CC1)N(Cc1ccco1)Cc1cccs1 ZINC000176029893 823100067 /nfs/dbraw/zinc/10/00/67/823100067.db2.gz OAQMHTYWKDQPBN-UHFFFAOYSA-N 1 0 387.549 4.460 20 0 GIADRO COc1ccccc1N1CCC([NH2+][C@@H](C)c2ccc(Br)cn2)CC1 ZINC000570874901 823100310 /nfs/dbraw/zinc/10/03/10/823100310.db2.gz ZBMYJYSHCYMZFW-AWEZNQCLSA-N 1 0 390.325 4.172 20 0 GIADRO O=C(C[NH+]1CCCCCC1)Nc1ccc(NC(=O)c2cccc3[nH]ccc32)cc1 ZINC000176037915 823102981 /nfs/dbraw/zinc/10/29/81/823102981.db2.gz QKBOSBICMIDAKP-UHFFFAOYSA-N 1 0 390.487 4.235 20 0 GIADRO CC[C@@H](c1ccncc1)N(C)C(=O)NC[C@H](c1ccc(SC)cc1)[NH+](C)C ZINC000458878059 823100671 /nfs/dbraw/zinc/10/06/71/823100671.db2.gz BEDILUAWXPEJPC-VQTJNVASSA-N 1 0 386.565 4.199 20 0 GIADRO CCO[C@H]1C[C@@]([NH3+])(C(=O)NCc2ccccc2-c2ccc(Cl)cc2)C1(C)C ZINC000187632359 823102144 /nfs/dbraw/zinc/10/21/44/823102144.db2.gz YBZSXRACCRBVOB-SIKLNZKXSA-N 1 0 386.923 4.156 20 0 GIADRO COc1ccc(NC(=O)[C@H]([NH2+]C[C@H]2CCCOC2)c2ccccc2)cc1Cl ZINC000056205926 823102661 /nfs/dbraw/zinc/10/26/61/823102661.db2.gz LTKSFJPFHCFVGH-FOIQADDNSA-N 1 0 388.895 4.045 20 0 GIADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCC[C@H](CCCc2ccccc2)C1 ZINC000121018336 823103502 /nfs/dbraw/zinc/10/35/02/823103502.db2.gz IVSCKSCLVCYTCH-JTHBVZDNSA-N 1 0 386.580 4.041 20 0 GIADRO CC[C@@H](CC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)c1ccc(C)cc1 ZINC000176040281 823103843 /nfs/dbraw/zinc/10/38/43/823103843.db2.gz IZHPHDYHQPKBRJ-FQEVSTJZSA-N 1 0 394.559 4.152 20 0 GIADRO CN(C(=O)NC[C@H]1CSc2ccccc21)C1CC[NH+](Cc2ccccc2)CC1 ZINC000458901644 823103886 /nfs/dbraw/zinc/10/38/86/823103886.db2.gz BANAGMJKUHDWJF-IBGZPJMESA-N 1 0 395.572 4.182 20 0 GIADRO COc1ccc(Nc2ccccc2C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)cc1 ZINC000570927108 823108400 /nfs/dbraw/zinc/10/84/00/823108400.db2.gz WHTVDHGRWONEEU-JOCHJYFZSA-N 1 0 393.531 4.289 20 0 GIADRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)NCCCC(C)(F)F ZINC000458904784 823104419 /nfs/dbraw/zinc/10/44/19/823104419.db2.gz VLMLFFXNPGBKKB-UHFFFAOYSA-N 1 0 395.416 4.214 20 0 GIADRO O=C(N[C@@H]1CCCc2c(F)cc(F)cc21)N1CCC([NH+]2CCCCC2)CC1 ZINC000458905256 823104489 /nfs/dbraw/zinc/10/44/89/823104489.db2.gz OGZULVJDQDBBPI-HXUWFJFHSA-N 1 0 377.479 4.002 20 0 GIADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)NCc2cc(C3CC3)ccc2F)CC1 ZINC000458908185 823104671 /nfs/dbraw/zinc/10/46/71/823104671.db2.gz BGHUULWZVBIPKP-UHFFFAOYSA-N 1 0 385.483 4.102 20 0 GIADRO CC1CC[NH+](C[C@H]2CCCN(C(=O)NC[C@H]3CSc4ccccc43)C2)CC1 ZINC000458921825 823106552 /nfs/dbraw/zinc/10/65/52/823106552.db2.gz RXKCLXRGQYGWDA-MOPGFXCFSA-N 1 0 387.593 4.029 20 0 GIADRO Cc1oc2ccccc2c1CC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000570914198 823106746 /nfs/dbraw/zinc/10/67/46/823106746.db2.gz OSKNWWPAVVUZDG-UHFFFAOYSA-N 1 0 392.499 4.073 20 0 GIADRO Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000176059950 823109473 /nfs/dbraw/zinc/10/94/73/823109473.db2.gz FBQJXZGOIROCIK-HXUWFJFHSA-N 1 0 395.478 4.191 20 0 GIADRO COc1cc(C[N@H+](Cc2cccnc2)C(C)C)ccc1OCc1ccncc1 ZINC000570972981 823113788 /nfs/dbraw/zinc/11/37/88/823113788.db2.gz VTTBMOZDHLWUME-UHFFFAOYSA-N 1 0 377.488 4.475 20 0 GIADRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)CCCc1csc(C)n1 ZINC000176065678 823110860 /nfs/dbraw/zinc/11/08/60/823110860.db2.gz VVEVWKNSNLRJSB-UHFFFAOYSA-N 1 0 399.564 4.104 20 0 GIADRO O=C(Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000570950967 823111275 /nfs/dbraw/zinc/11/12/75/823111275.db2.gz PCRZUKSAJAZEDQ-ZTCOLXNVSA-N 1 0 386.495 4.149 20 0 GIADRO COc1ccc(-c2ccc(CNC(=O)N3CCC([NH+]4CCCC4)CC3)cc2)cc1 ZINC000176067342 823111440 /nfs/dbraw/zinc/11/14/40/823111440.db2.gz PPDXMJRZGQWFAB-UHFFFAOYSA-N 1 0 393.531 4.132 20 0 GIADRO COc1ccc(-c2ccc(CNC(=O)NC3C[C@H]4CCC[C@@H](C3)[N@H+]4C)cc2)cc1 ZINC000176067227 823111511 /nfs/dbraw/zinc/11/15/11/823111511.db2.gz JDTLYPJLVXJDNL-FRIKZZABSA-N 1 0 393.531 4.177 20 0 GIADRO CCN(Cc1c[nH]c2ccccc12)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000187681372 823112143 /nfs/dbraw/zinc/11/21/43/823112143.db2.gz XOVZDUOMQTUSKZ-FQEVSTJZSA-N 1 0 380.492 4.130 20 0 GIADRO CC(C)([NH2+]CCC(=O)NC(=O)Nc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000570961461 823112264 /nfs/dbraw/zinc/11/22/64/823112264.db2.gz QHJFLWIXHVZNHY-UHFFFAOYSA-N 1 0 393.409 4.269 20 0 GIADRO Cc1ccccc1-n1cc(C[NH2+]CC2(c3ccccc3Cl)CCOCC2)nn1 ZINC000570963986 823112692 /nfs/dbraw/zinc/11/26/92/823112692.db2.gz ZZIGUQJMGNPXNQ-UHFFFAOYSA-N 1 0 396.922 4.067 20 0 GIADRO CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000570973894 823114097 /nfs/dbraw/zinc/11/40/97/823114097.db2.gz UQYLFFBTNYTAJL-VQIMIIECSA-N 1 0 385.943 4.072 20 0 GIADRO Cc1cccnc1CCCNC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000458985424 823113187 /nfs/dbraw/zinc/11/31/87/823113187.db2.gz GHINNHNUXADMCO-FQEVSTJZSA-N 1 0 386.584 4.009 20 0 GIADRO C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000121075201 823113464 /nfs/dbraw/zinc/11/34/64/823113464.db2.gz SCBLAPGWTFDBFU-CKNLXJGOSA-N 1 0 388.874 4.223 20 0 GIADRO CCc1ccccc1NC(=O)[C@@H](C)N(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000570970696 823113571 /nfs/dbraw/zinc/11/35/71/823113571.db2.gz PUFHLMARVAHWBO-RTBURBONSA-N 1 0 399.604 4.400 20 0 GIADRO COc1ccc2oc([C@@H](C)NC(=O)N(C)[C@@H](C)C3CC[NH+](C)CC3)c(C)c2c1 ZINC000570976344 823114520 /nfs/dbraw/zinc/11/45/20/823114520.db2.gz TVUXLBZTNJEXFR-CVEARBPZSA-N 1 0 387.524 4.183 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1sc(C(C)(C)OC)nc1C)c1ccccc1 ZINC000570976118 823114529 /nfs/dbraw/zinc/11/45/29/823114529.db2.gz NPIZMKJARQUIDF-QGZVFWFLSA-N 1 0 389.565 4.146 20 0 GIADRO COc1ccc([C@H](CN[C@H](c2ncc[nH]2)c2ccc(F)cc2)[NH+]2CCCC2)cc1 ZINC000187696266 823115089 /nfs/dbraw/zinc/11/50/89/823115089.db2.gz LEOUQCPTYUMLBS-VXKWHMMOSA-N 1 0 394.494 4.074 20 0 GIADRO CCOC(=O)N1CCC([C@@H](C)[NH2+][C@H](C)c2ccc(SC)c(OC)c2)CC1 ZINC000187701069 823115678 /nfs/dbraw/zinc/11/56/78/823115678.db2.gz RGFLUWDOAMPZPO-HUUCEWRRSA-N 1 0 380.554 4.325 20 0 GIADRO O=C(Nc1cc(F)ccc1OC(F)F)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000121104326 823119382 /nfs/dbraw/zinc/11/93/82/823119382.db2.gz NFACHZUPTSMXMH-UHFFFAOYSA-N 1 0 396.434 4.228 20 0 GIADRO CC[NH+](CC)[C@@H](CN[C@H](c1ncc[nH]1)c1ccc(F)cc1)c1cccc(OC)c1 ZINC000187716576 823119490 /nfs/dbraw/zinc/11/94/90/823119490.db2.gz WRLYSGVYKBUYOP-VXKWHMMOSA-N 1 0 396.510 4.320 20 0 GIADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc(COc3ccc4ccccc4c3)o2)C1 ZINC000570996409 823117538 /nfs/dbraw/zinc/11/75/38/823117538.db2.gz BUTSZPGBLOPJFQ-SFHVURJKSA-N 1 0 392.499 4.472 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)N[C@@H](c2ccc(F)c(Cl)c2)C2CC2)CC1 ZINC000459024497 823118397 /nfs/dbraw/zinc/11/83/97/823118397.db2.gz UUBBSMYJLXQXHO-LJQANCHMSA-N 1 0 381.923 4.446 20 0 GIADRO CC[NH+](CC)CCOc1ccc(C(=O)NCc2coc(-c3cccs3)n2)cc1 ZINC000056304585 823124315 /nfs/dbraw/zinc/12/43/15/823124315.db2.gz DKCVFOPRGGEJPJ-UHFFFAOYSA-N 1 0 399.516 4.054 20 0 GIADRO NC(=O)c1cccc(C[NH2+][C@@H](c2ccc(Br)cc2Cl)C2CC2)c1 ZINC000187726078 823120327 /nfs/dbraw/zinc/12/03/27/823120327.db2.gz KYLGQIOSSOTBOR-QGZVFWFLSA-N 1 0 393.712 4.442 20 0 GIADRO C[C@H](C[C@@H](O)c1cccs1)[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000121111207 823120641 /nfs/dbraw/zinc/12/06/41/823120641.db2.gz POOFHXIBIYANDY-JTDSTZFVSA-N 1 0 385.533 4.223 20 0 GIADRO C[C@@H](c1ccccc1)[N@@H+](CC(=O)Nc1cccc(C(=O)N(C)C)c1)CC1CCC1 ZINC000121114150 823120858 /nfs/dbraw/zinc/12/08/58/823120858.db2.gz DZJWGUGNEYJEBI-SFHVURJKSA-N 1 0 393.531 4.190 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@@H](C)C[C@H](O)c2cccs2)nnn1-c1ccc(Cl)cc1 ZINC000121112848 823120942 /nfs/dbraw/zinc/12/09/42/823120942.db2.gz VKDGWDNGAAITHV-DCGLDWPTSA-N 1 0 390.940 4.453 20 0 GIADRO O=C(Nc1ccccc1-c1cc(F)c(F)c(F)c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000176103138 823121360 /nfs/dbraw/zinc/12/13/60/823121360.db2.gz DDMLDYMHMFWFJR-OAHLLOKOSA-N 1 0 389.421 4.473 20 0 GIADRO Cc1cccc2[nH]cc(CC(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)c21 ZINC000176104871 823122000 /nfs/dbraw/zinc/12/20/00/823122000.db2.gz KBQLVAOPAQKQHB-WIYYLYMNSA-N 1 0 375.516 4.188 20 0 GIADRO CCN(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@H](C)Cc1ccccc1C(F)(F)F ZINC000459061046 823122126 /nfs/dbraw/zinc/12/21/26/823122126.db2.gz OYKJHJARPIQNQZ-CCNLRDMRSA-N 1 0 397.485 4.293 20 0 GIADRO C[C@H](NC(=O)c1c[nH]nc1-c1ccc(Cl)s1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000187737003 823122293 /nfs/dbraw/zinc/12/22/93/823122293.db2.gz GHEHDDZSIHAYQG-QWHCGFSZSA-N 1 0 392.956 4.174 20 0 GIADRO C[C@H](NC(=O)N1CCC(c2nc3ccccc3s2)CC1)C(C)(C)C[NH+](C)C ZINC000121135731 823124608 /nfs/dbraw/zinc/12/46/08/823124608.db2.gz KEMRVGLFZOIELR-HNNXBMFYSA-N 1 0 388.581 4.162 20 0 GIADRO CCSc1cccc(C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)c1 ZINC000121127992 823123089 /nfs/dbraw/zinc/12/30/89/823123089.db2.gz XRCFISCWEZSTCE-UHFFFAOYSA-N 1 0 384.545 4.255 20 0 GIADRO C[C@@H]([NH2+]CC1=CCN(C(=O)OC(C)(C)C)CC1)c1ccc(-n2ccnc2)cc1 ZINC000187746692 823124236 /nfs/dbraw/zinc/12/42/36/823124236.db2.gz UUKGGJVLDWVUDR-QGZVFWFLSA-N 1 0 382.508 4.090 20 0 GIADRO Brc1cccc(-c2cnc(CN3CCCC[C@@H]3[C@H]3CC[NH2+]C3)o2)c1 ZINC000571051330 823125131 /nfs/dbraw/zinc/12/51/31/823125131.db2.gz ZOBGPJMGHLPHRX-DOTOQJQBSA-N 1 0 390.325 4.068 20 0 GIADRO CSc1ccc(NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)cc1Cl ZINC000176121421 823127414 /nfs/dbraw/zinc/12/74/14/823127414.db2.gz JIOUKPUWSIPATB-UHFFFAOYSA-N 1 0 390.940 4.243 20 0 GIADRO C[C@H]1C[C@H](NC(=O)c2c(F)c(F)cc(F)c2F)CC[N@@H+]1Cc1ccccc1 ZINC000176123826 823128395 /nfs/dbraw/zinc/12/83/95/823128395.db2.gz OYHNCVHNPOBZHA-GXTWGEPZSA-N 1 0 380.385 4.026 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)N(CCc1cccc(F)c1)C1CCCC1 ZINC000459108667 823128654 /nfs/dbraw/zinc/12/86/54/823128654.db2.gz PDJCNPRKRKMDND-UHFFFAOYSA-N 1 0 387.543 4.339 20 0 GIADRO C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@H](CO)c1c(F)cccc1F ZINC000571081610 823129201 /nfs/dbraw/zinc/12/92/01/823129201.db2.gz UNHYYJDVONSACX-QLJPJBMISA-N 1 0 388.227 4.121 20 0 GIADRO CCc1noc(-c2ccc(CC[NH2+][C@@H]3CCc4c3ccc(OC)c4F)cc2)n1 ZINC000571084690 823129759 /nfs/dbraw/zinc/12/97/59/823129759.db2.gz YHRKUGFCCXHHLF-GOSISDBHSA-N 1 0 381.451 4.266 20 0 GIADRO CNC(=O)c1ccc(C[N@H+](C)Cc2ccc(-n3cnc4ccccc43)cc2)cc1 ZINC000121164490 823130831 /nfs/dbraw/zinc/13/08/31/823130831.db2.gz ASLRQGPXTPYWQG-UHFFFAOYSA-N 1 0 384.483 4.017 20 0 GIADRO COc1ccc(-c2n[nH]cc2C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)cc1 ZINC000571091006 823130887 /nfs/dbraw/zinc/13/08/87/823130887.db2.gz MMSWFGBLGHMNJY-DNVJHFABSA-N 1 0 389.499 4.090 20 0 GIADRO COc1cc([C@@H](C)[NH2+]C[C@]2(C)OCCc3sccc32)ccc1OC(F)F ZINC000571096188 823131453 /nfs/dbraw/zinc/13/14/53/823131453.db2.gz KBKGGOLDHGUZMP-BLVKFPJESA-N 1 0 383.460 4.497 20 0 GIADRO Cc1ccccc1OCCCN(C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000056345179 823132077 /nfs/dbraw/zinc/13/20/77/823132077.db2.gz IGFHFUQXYUSCDK-UHFFFAOYSA-N 1 0 395.547 4.070 20 0 GIADRO O=C(N[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000459130766 823132236 /nfs/dbraw/zinc/13/22/36/823132236.db2.gz GHZMTZYXOGUVOM-ILZDJORESA-N 1 0 375.944 4.103 20 0 GIADRO C[C@H](CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C(=O)c1cccc(F)c1 ZINC000176134158 823132372 /nfs/dbraw/zinc/13/23/72/823132372.db2.gz OVVNSMMVTLRJJC-KGVIQGDOSA-N 1 0 396.506 4.204 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CCC[C@@H](c3cccc(Cl)c3)C2)CC[N@@H+]1C ZINC000459131281 823132476 /nfs/dbraw/zinc/13/24/76/823132476.db2.gz GQAWQWSKAFUSQC-RARDXLECSA-N 1 0 377.960 4.490 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CCC[C@@H](c3cccc(Cl)c3)C2)CC[N@@H+]1C ZINC000459131282 823132503 /nfs/dbraw/zinc/13/25/03/823132503.db2.gz GQAWQWSKAFUSQC-WSTLGDPDSA-N 1 0 377.960 4.490 20 0 GIADRO COc1ccc(NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C(F)(F)F)c1 ZINC000571102314 823132630 /nfs/dbraw/zinc/13/26/30/823132630.db2.gz KGJNBAFFZOHOAF-OAHLLOKOSA-N 1 0 378.394 4.175 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1c2ccccc2O[C@H]1C ZINC000571120530 823135523 /nfs/dbraw/zinc/13/55/23/823135523.db2.gz RBQLWNSWDFNFHX-NOXFTYBFSA-N 1 0 393.531 4.062 20 0 GIADRO C[C@H]1C[C@@H](NC(=O)CCC(=O)c2ccc(Cl)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000176137920 823133133 /nfs/dbraw/zinc/13/31/33/823133133.db2.gz HXKVHIKGJLPLLL-UWJYYQICSA-N 1 0 398.934 4.472 20 0 GIADRO Cc1cc(OCc2ccccc2)ccc1NC(=O)CCN(C)c1cc[nH+]cc1 ZINC000571115315 823134498 /nfs/dbraw/zinc/13/44/98/823134498.db2.gz CGABQHDQVPTDBX-UHFFFAOYSA-N 1 0 375.472 4.434 20 0 GIADRO CC(=O)Nc1cccc(C(=O)Nc2ccc(C[NH+]3CCSCC3)cc2C)c1C ZINC000187793849 823134524 /nfs/dbraw/zinc/13/45/24/823134524.db2.gz IJWAMPHKFQCRRK-UHFFFAOYSA-N 1 0 397.544 4.063 20 0 GIADRO Cc1cc(C)n(-c2ccccc2NC(=O)N2CCN(C)C[C@H]2c2ccccc2)n1 ZINC000571116680 823134540 /nfs/dbraw/zinc/13/45/40/823134540.db2.gz ASFCENQXEFZYMH-QFIPXVFZSA-N 1 0 389.503 4.010 20 0 GIADRO CCSc1cc(C[NH2+][C@@H](C)c2ccc(OC)c(Cn3cccn3)c2)ccn1 ZINC000187795797 823134761 /nfs/dbraw/zinc/13/47/61/823134761.db2.gz ATHZCIXATZKNTG-INIZCTEOSA-N 1 0 382.533 4.298 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)NCCC2CC(F)(F)C2)CC[N@@H+]1Cc1ccccc1 ZINC000459146938 823134961 /nfs/dbraw/zinc/13/49/61/823134961.db2.gz YDXVXUPJULQQNA-APWZRJJASA-N 1 0 379.495 4.116 20 0 GIADRO Cc1ncc(CN(C)C(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)s1 ZINC000056360523 823135988 /nfs/dbraw/zinc/13/59/88/823135988.db2.gz MIUPEXNMSQGURU-QGZVFWFLSA-N 1 0 392.594 4.128 20 0 GIADRO C[C@@H]1CCC[C@@H](C)N1C(=O)C[NH2+]C1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000571133114 823138770 /nfs/dbraw/zinc/13/87/70/823138770.db2.gz MIWJKTGUFQEOMJ-HZPDHXFCSA-N 1 0 398.469 4.090 20 0 GIADRO CCN(C(=O)N[C@@H](C)c1cncc(F)c1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000459171702 823137746 /nfs/dbraw/zinc/13/77/46/823137746.db2.gz MGQABLCTYADCCY-FVJLSDCUSA-N 1 0 384.499 4.149 20 0 GIADRO CCN(C(=O)N[C@@H](C)c1cncc(F)c1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000459171704 823137769 /nfs/dbraw/zinc/13/77/69/823137769.db2.gz MGQABLCTYADCCY-XGHQBKJUSA-N 1 0 384.499 4.149 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCC(F)(F)[C@H](C)C1 ZINC000571132627 823138427 /nfs/dbraw/zinc/13/84/27/823138427.db2.gz DGMRYUCNMSNHHQ-IAGOWNOFSA-N 1 0 379.495 4.248 20 0 GIADRO Cc1ccccc1NC(=O)CNc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000571137447 823139308 /nfs/dbraw/zinc/13/93/08/823139308.db2.gz LTUXWKZUCXSWNK-UHFFFAOYSA-N 1 0 387.911 4.172 20 0 GIADRO C[C@H](NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)[C@@H]1CCC[C@H](C)C1 ZINC000459179526 823138979 /nfs/dbraw/zinc/13/89/79/823138979.db2.gz XBRRHHKMXGFBLJ-HRCADAONSA-N 1 0 377.495 4.259 20 0 GIADRO COc1ccc([C@H](NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c2ccco2)cc1 ZINC000459214682 823145594 /nfs/dbraw/zinc/14/55/94/823145594.db2.gz NXAOTHZLBQTZQK-UGKGYDQZSA-N 1 0 397.519 4.038 20 0 GIADRO C[NH+]1CCN(c2ccccc2NC(=O)CCc2ccc(-c3ccccc3)[nH]2)CC1 ZINC000056384300 823140893 /nfs/dbraw/zinc/14/08/93/823140893.db2.gz DGMIFGIBAMYFTB-UHFFFAOYSA-N 1 0 388.515 4.005 20 0 GIADRO COc1ccc(Cl)cc1C[N@H+](C)Cc1ccc(OCc2noc(C)n2)cc1 ZINC000121220021 823141149 /nfs/dbraw/zinc/14/11/49/823141149.db2.gz DUCVFDFUNUSSFT-UHFFFAOYSA-N 1 0 387.867 4.251 20 0 GIADRO Fc1ccc([C@@H](NCC2CC[NH+](Cc3ccccc3)CC2)c2ncc[nH]2)cc1 ZINC000187837271 823143290 /nfs/dbraw/zinc/14/32/90/823143290.db2.gz ZHQVTIGYGKRYAA-JOCHJYFZSA-N 1 0 378.495 4.140 20 0 GIADRO CCOc1cccc2cc([C@@H](C)NC(=O)N3CCC[C@H]([NH+]4CCCC4)C3)oc21 ZINC000121237209 823144805 /nfs/dbraw/zinc/14/48/05/823144805.db2.gz LAUOSNQXAZZJFI-AEFFLSMTSA-N 1 0 385.508 4.162 20 0 GIADRO CCOc1ccccc1CN(C)C(=O)NCc1cccc(C[NH+](CC)CC)c1 ZINC000056408768 823145417 /nfs/dbraw/zinc/14/54/17/823145417.db2.gz SIJBZAFABPIKEY-UHFFFAOYSA-N 1 0 383.536 4.269 20 0 GIADRO CC(C)C[C@H]([NH2+][C@@H]1CCCc2cc(S(N)(=O)=O)ccc21)c1cccs1 ZINC000571184899 823145563 /nfs/dbraw/zinc/14/55/63/823145563.db2.gz IXGFQBDKXFBPHL-MSOLQXFVSA-N 1 0 378.563 4.150 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H](C)C[C@@H](O)c1cccs1 ZINC000121217149 823140601 /nfs/dbraw/zinc/14/06/01/823140601.db2.gz KMBYTVBRQRJLGE-DVOMOZLQSA-N 1 0 396.940 4.229 20 0 GIADRO [NH3+][C@H]1CCc2ncc(NC(=O)N(CCc3ccccc3F)C3CCCC3)cc2C1 ZINC000571147665 823140657 /nfs/dbraw/zinc/14/06/57/823140657.db2.gz MSVMQXDPAWTHFE-SFHVURJKSA-N 1 0 396.510 4.056 20 0 GIADRO CC(C)c1ccc(CN(C)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000056421965 823147386 /nfs/dbraw/zinc/14/73/86/823147386.db2.gz BKKDLLYXILEDFJ-UHFFFAOYSA-N 1 0 380.536 4.011 20 0 GIADRO CC(=O)c1ccc(OC[C@H](O)C[NH2+]C[C@H](C)c2ccc(C(F)(F)F)cc2)cc1 ZINC000571199177 823147415 /nfs/dbraw/zinc/14/74/15/823147415.db2.gz VDDWBKIASOZYHN-IFXJQAMLSA-N 1 0 395.421 4.041 20 0 GIADRO CCc1ccc([C@H](NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)C(C)C)cc1 ZINC000056422088 823147598 /nfs/dbraw/zinc/14/75/98/823147598.db2.gz WYIIEWRLMKQHMT-HSZRJFAPSA-N 1 0 394.563 4.305 20 0 GIADRO COC[C@@H]([NH2+]C[C@H]1CC2c3ccccc3C1c1ccccc12)C1CCOCC1 ZINC000187860888 823148342 /nfs/dbraw/zinc/14/83/42/823148342.db2.gz MTSWKMPJMZJRAN-XDCQHSBLSA-N 1 0 377.528 4.315 20 0 GIADRO CN1CC[C@@H]([NH2+]Cc2nc3cc(Cl)ccc3n2C)[C@@H]1c1ccc(Cl)cc1 ZINC000571211095 823149398 /nfs/dbraw/zinc/14/93/98/823149398.db2.gz ACEPBPLBZUDMBF-UZLBHIALSA-N 1 0 389.330 4.415 20 0 GIADRO CN(CCCCc1ccccc1)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000056441121 823149493 /nfs/dbraw/zinc/14/94/93/823149493.db2.gz OEGGKLAAWMYUJC-UHFFFAOYSA-N 1 0 397.538 4.454 20 0 GIADRO CCc1nc([C@@H](C)NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)cs1 ZINC000176196287 823150273 /nfs/dbraw/zinc/15/02/73/823150273.db2.gz BGNAUUJHTRUJNT-MRXNPFEDSA-N 1 0 386.565 4.073 20 0 GIADRO COc1c(F)cc(NC(=O)N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)cc1F ZINC000571233809 823152815 /nfs/dbraw/zinc/15/28/15/823152815.db2.gz DWPKCNVHZIWUSX-UGSOOPFHSA-N 1 0 377.435 4.095 20 0 GIADRO CCCCOc1ccc(NC(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)cn1 ZINC000187888753 823152972 /nfs/dbraw/zinc/15/29/72/823152972.db2.gz JWFPERJUCNXCGW-KRWDZBQOSA-N 1 0 397.523 4.003 20 0 GIADRO COc1ccc(CN(Cc2ccccc2)C(=O)NCC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000459263132 823153440 /nfs/dbraw/zinc/15/34/40/823153440.db2.gz LWYDLFOPMMVLDS-OAQYLSRUSA-N 1 0 395.547 4.139 20 0 GIADRO C[N@@H+]1CCC[C@@H](CCNC(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)C1 ZINC000459261589 823153456 /nfs/dbraw/zinc/15/34/56/823153456.db2.gz LEZJTRVVAVBECG-INIZCTEOSA-N 1 0 396.000 4.338 20 0 GIADRO C[C@@H]([NH2+]C[C@@H]1COc2ccccc21)c1ccccc1I ZINC000571239524 823153741 /nfs/dbraw/zinc/15/37/41/823153741.db2.gz GQZSWAFEKBXLNP-CHWSQXEVSA-N 1 0 379.241 4.118 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)NC3CCC(C(F)F)CC3)c(C)c2)CC1 ZINC000459266108 823153846 /nfs/dbraw/zinc/15/38/46/823153846.db2.gz WBSVIEPRMKCLPC-UHFFFAOYSA-N 1 0 394.510 4.082 20 0 GIADRO COc1cc(Br)ccc1C[NH2+][C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000571246000 823155073 /nfs/dbraw/zinc/15/50/73/823155073.db2.gz BTYQIXBEQCJNQH-GFCCVEGCSA-N 1 0 389.293 4.193 20 0 GIADRO O=C(c1cccc(Cl)c1)C(C(=S)Nc1ccccc1)[n+]1cccc(CO)c1 ZINC000121294255 823156912 /nfs/dbraw/zinc/15/69/12/823156912.db2.gz JJFZHYQQZYCFTR-UHFFFAOYSA-O 1 0 397.907 4.171 20 0 GIADRO C[C@H]1CN(c2ccccc2C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)CCO1 ZINC000459321241 823161166 /nfs/dbraw/zinc/16/11/66/823161166.db2.gz ZMQMDTIBPFCSHQ-SFHVURJKSA-N 1 0 390.531 4.168 20 0 GIADRO COc1ccc([C@H](C)[NH2+]C2CCN(Cc3ccsc3)CC2)cc1NC(C)=O ZINC000121314345 823161272 /nfs/dbraw/zinc/16/12/72/823161272.db2.gz GVZRBZJBYWHQOA-HNNXBMFYSA-N 1 0 387.549 4.030 20 0 GIADRO CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC000571273914 823159312 /nfs/dbraw/zinc/15/93/12/823159312.db2.gz FGKDVEWTCULFPX-OALUTQOASA-N 1 0 393.531 4.122 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)N1CC2(CCC2)[C@@H]2COC[C@H]21)C1CCCCC1 ZINC000459314176 823160014 /nfs/dbraw/zinc/16/00/14/823160014.db2.gz QGCMTNCEUDEBEE-IFMALSPDSA-N 1 0 397.563 4.484 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)N2CC(CC)(c3ccccc3)C2)CC1 ZINC000459318374 823160235 /nfs/dbraw/zinc/16/02/35/823160235.db2.gz CFAXXDZWERDTSQ-UHFFFAOYSA-N 1 0 392.547 4.024 20 0 GIADRO C[NH+](C)CCC1CCN(Cc2csc(COc3ccc(F)cc3)n2)CC1 ZINC000056523595 823161636 /nfs/dbraw/zinc/16/16/36/823161636.db2.gz VIOOYYXRTOXVMD-UHFFFAOYSA-N 1 0 377.529 4.025 20 0 GIADRO COc1ccccc1-c1nnc(C[N@H+](CC(C)C)C[C@@H](O)c2ccc(F)cc2)o1 ZINC000121315443 823161667 /nfs/dbraw/zinc/16/16/67/823161667.db2.gz FAOMURFPFAHLCY-LJQANCHMSA-N 1 0 399.466 4.076 20 0 GIADRO O=C(Nc1cccc2c1CC[NH2+]C2)N1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000571298780 823161728 /nfs/dbraw/zinc/16/17/28/823161728.db2.gz QZPLVIQSWAVVQZ-MRXNPFEDSA-N 1 0 399.922 4.309 20 0 GIADRO Cc1ccc(OC(F)F)c(C[NH2+]CCc2nc(-c3ccccn3)cs2)c1 ZINC000176248373 823162634 /nfs/dbraw/zinc/16/26/34/823162634.db2.gz SIKJBVWMCXTIBM-UHFFFAOYSA-N 1 0 375.444 4.447 20 0 GIADRO CC[C@@H]1CN(C/C=C/c2ccc(OCc3ccccc3)cc2)CC[N@@H+]1C[C@H](C)O ZINC000459333285 823163382 /nfs/dbraw/zinc/16/33/82/823163382.db2.gz IISVEANUVPZJMU-XPLMIQBISA-N 1 0 394.559 4.056 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)NCCOC2CCCCCC2)CC1 ZINC000176253442 823163800 /nfs/dbraw/zinc/16/38/00/823163800.db2.gz HPBAROGOPFCAIO-UHFFFAOYSA-N 1 0 387.568 4.032 20 0 GIADRO CCOc1cc(CN2CCC[C@@H]([NH+]3CCCC3)CC2)cc(Br)c1O ZINC000459336358 823163871 /nfs/dbraw/zinc/16/38/71/823163871.db2.gz CZSKDTIUJBODBO-MRXNPFEDSA-N 1 0 397.357 4.004 20 0 GIADRO c1ccc(CN2CCO[C@@H](C[NH2+][C@@H]3CCCc4c5ccccc5[nH]c43)C2)cc1 ZINC000571319645 823164816 /nfs/dbraw/zinc/16/48/16/823164816.db2.gz YMGIYJPZRUPPMQ-WMZHIEFXSA-N 1 0 375.516 4.036 20 0 GIADRO Cc1nc(COc2ccc(/C=C\c3nc(C4([NH3+])CCCC4)no3)cc2)cs1 ZINC000571325476 823165541 /nfs/dbraw/zinc/16/55/41/823165541.db2.gz PRLSJPRHYKBCNJ-TWGQIWQCSA-N 1 0 382.489 4.312 20 0 GIADRO Brc1ccc(-c2noc(-c3ccc(C[NH+]4CCCC4)cc3)n2)nc1 ZINC000571326349 823165703 /nfs/dbraw/zinc/16/57/03/823165703.db2.gz XBIKCFGPZNPSRP-UHFFFAOYSA-N 1 0 385.265 4.157 20 0 GIADRO CCOc1cccc2[nH]cc(CC(=O)N3CCC[C@H](C[N@@H+]4CCCC[C@@H]4C)C3)c21 ZINC000187971535 823165808 /nfs/dbraw/zinc/16/58/08/823165808.db2.gz YMBFVMXSLUMFMK-RBUKOAKNSA-N 1 0 397.563 4.222 20 0 GIADRO C[C@H](Cc1ccccc1F)[NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1 ZINC000188010692 823171634 /nfs/dbraw/zinc/17/16/34/823171634.db2.gz CYNYSIJJADHONT-QGZVFWFLSA-N 1 0 392.478 4.263 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1CNc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000459347409 823167466 /nfs/dbraw/zinc/16/74/66/823167466.db2.gz FTJXUOCCCMPPDZ-UHFFFAOYSA-N 1 0 397.548 4.084 20 0 GIADRO Cc1coc2ccc(NC(=O)NCc3ccc(C[NH+]4CCC(O)CC4)cc3)cc12 ZINC000187984966 823167774 /nfs/dbraw/zinc/16/77/74/823167774.db2.gz WLCUTUYKFPCFBJ-UHFFFAOYSA-N 1 0 393.487 4.020 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@H]1CCc2cc(Cl)ccc21 ZINC000056553219 823167876 /nfs/dbraw/zinc/16/78/76/823167876.db2.gz ZVLCSBCVLINPIT-NRFANRHFSA-N 1 0 398.938 4.209 20 0 GIADRO Cc1nn(C(C)C)cc1C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000571341489 823167964 /nfs/dbraw/zinc/16/79/64/823167964.db2.gz LXAUZHIPRQYKGR-UHFFFAOYSA-N 1 0 390.531 4.431 20 0 GIADRO COc1cccc2c1CC[C@H]2NC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000121354760 823169145 /nfs/dbraw/zinc/16/91/45/823169145.db2.gz TXLXGHACSLNXGU-HTAPYJJXSA-N 1 0 393.531 4.207 20 0 GIADRO C(=C\c1ccc(OCc2ccccc2)cc1)\CN1CC[NH+](C2CCOCC2)CC1 ZINC000459355304 823169805 /nfs/dbraw/zinc/16/98/05/823169805.db2.gz YLTPNNYSUPHYIQ-DAXSKMNVSA-N 1 0 392.543 4.075 20 0 GIADRO Cc1ccc(C[C@H](C)NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)s1 ZINC000176279077 823170869 /nfs/dbraw/zinc/17/08/69/823170869.db2.gz RUWTXUJRCAAFOG-KRWDZBQOSA-N 1 0 385.577 4.294 20 0 GIADRO C[N@H+](CCCO)C1CCN(C/C=C\c2ccc(OCc3ccccc3)cc2)CC1 ZINC000459358740 823171042 /nfs/dbraw/zinc/17/10/42/823171042.db2.gz WZQVHONEPNPQEL-UITAMQMPSA-N 1 0 394.559 4.057 20 0 GIADRO C[N@H+](CCCO)C1CCN(C/C=C/c2ccc(OCc3ccccc3)cc2)CC1 ZINC000459358743 823171072 /nfs/dbraw/zinc/17/10/72/823171072.db2.gz WZQVHONEPNPQEL-WEVVVXLNSA-N 1 0 394.559 4.057 20 0 GIADRO CO[C@H](C)c1nc(CN2CCC[N@H+](C[C@@H]3C[C@H]3c3ccccc3)CC2)cs1 ZINC000459360228 823171330 /nfs/dbraw/zinc/17/13/30/823171330.db2.gz RDMINCHLJBKGTJ-LMNJBCLMSA-N 1 0 385.577 4.162 20 0 GIADRO CC(C)c1ccccc1NC(=O)CN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000571366624 823172283 /nfs/dbraw/zinc/17/22/83/823172283.db2.gz GACTXVYPUFSVBY-FCHUYYIVSA-N 1 0 391.559 4.202 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)Nc2ccccc2OC[C@H]2CCCCO2)cc1 ZINC000056572054 823172310 /nfs/dbraw/zinc/17/23/10/823172310.db2.gz XRDFZRDFUNEHKR-HXUWFJFHSA-N 1 0 397.519 4.018 20 0 GIADRO CC[C@H](C)C(=O)Nc1cccc(C[NH2+]Cc2ccccc2N2CCO[C@H](C)C2)c1 ZINC000459377762 823177167 /nfs/dbraw/zinc/17/71/67/823177167.db2.gz VAIKTCIJLFOSRH-RBUKOAKNSA-N 1 0 395.547 4.186 20 0 GIADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)Nc1ccc(CNc2ccccc2)cc1 ZINC000176288534 823173311 /nfs/dbraw/zinc/17/33/11/823173311.db2.gz WSJQEELNMZXIOR-QFIPXVFZSA-N 1 0 381.520 4.030 20 0 GIADRO Cc1cc(C)n(CCC[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)n1 ZINC000459365489 823173424 /nfs/dbraw/zinc/17/34/24/823173424.db2.gz JYQLRMDZPDXIRN-UHFFFAOYSA-N 1 0 378.524 4.053 20 0 GIADRO CCCOc1ccc(C[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)cc1OC ZINC000121377133 823173440 /nfs/dbraw/zinc/17/34/40/823173440.db2.gz NJFPMYLIRNSGEZ-UHFFFAOYSA-N 1 0 398.503 4.040 20 0 GIADRO c1cc(C[NH+]2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)n(C2CCCC2)n1 ZINC000571373614 823173876 /nfs/dbraw/zinc/17/38/76/823173876.db2.gz XZKQNAYTTONZSK-UHFFFAOYSA-N 1 0 376.508 4.163 20 0 GIADRO CC[C@@H](C)C(=O)Nc1cccc(C[NH2+]Cc2ccccc2N2CCO[C@@H](C)C2)c1 ZINC000459377760 823177279 /nfs/dbraw/zinc/17/72/79/823177279.db2.gz VAIKTCIJLFOSRH-MOPGFXCFSA-N 1 0 395.547 4.186 20 0 GIADRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)Cc3c[nH]c4ccc(Cl)cc34)cccc21 ZINC000571376838 823174545 /nfs/dbraw/zinc/17/45/45/823174545.db2.gz XCPMJIPQMVJNGE-LJQANCHMSA-N 1 0 383.879 4.388 20 0 GIADRO COc1cc(C[N@@H+]2CCC[C@]2(CO)CC(C)C)ccc1OCc1ccncc1 ZINC000188036842 823175025 /nfs/dbraw/zinc/17/50/25/823175025.db2.gz ZTLFLXZTRFBSNA-HSZRJFAPSA-N 1 0 384.520 4.042 20 0 GIADRO CC(=O)N1CC[C@H](C[N@H+](C)C/C=C\c2ccc(OCc3ccccc3)cc2)C1 ZINC000459372760 823175410 /nfs/dbraw/zinc/17/54/10/823175410.db2.gz ZSFCZLRUPXAMGJ-FBQZBAQISA-N 1 0 378.516 4.079 20 0 GIADRO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000188039706 823175738 /nfs/dbraw/zinc/17/57/38/823175738.db2.gz ZYCDWKXIJCHLDG-UHFFFAOYSA-N 1 0 395.425 4.225 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1C[NH2+]CCc1nccn1Cc1ccccc1 ZINC000459376034 823176343 /nfs/dbraw/zinc/17/63/43/823176343.db2.gz ZPKOLUFKJYRJFP-UHFFFAOYSA-N 1 0 391.544 4.159 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)N2CCCC[C@H]2c2nccs2)[NH+]2CCCC2)o1 ZINC000176302537 823176667 /nfs/dbraw/zinc/17/66/67/823176667.db2.gz AXOJTOHHMIVNKA-DLBZAZTESA-N 1 0 388.537 4.118 20 0 GIADRO Cn1ccnc1-c1cccc(NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000121403180 823178189 /nfs/dbraw/zinc/17/81/89/823178189.db2.gz QJHWNSWISBMBHX-UHFFFAOYSA-N 1 0 395.551 4.207 20 0 GIADRO COc1ccc(NC(=O)C2([NH2+]CC3CCC(F)(F)CC3)CCCC2)cc1OC ZINC000459381709 823178294 /nfs/dbraw/zinc/17/82/94/823178294.db2.gz CUNAGPGGWWJJTN-UHFFFAOYSA-N 1 0 396.478 4.370 20 0 GIADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(NC(=O)c3ccc(C)cc3)c2)[C@H]1SC ZINC000459381525 823178311 /nfs/dbraw/zinc/17/83/11/823178311.db2.gz CKCKHNFODAEZKP-NJDAHSKKSA-N 1 0 384.545 4.246 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@H]2CCOc3c(F)cccc32)cc1Cn1cccn1 ZINC000188055061 823178419 /nfs/dbraw/zinc/17/84/19/823178419.db2.gz CBDBYWRENAQSJV-YWZLYKJASA-N 1 0 381.451 4.254 20 0 GIADRO CC(C)n1cnnc1-c1ccccc1NC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000176328694 823183104 /nfs/dbraw/zinc/18/31/04/823183104.db2.gz GHPVGOBZBZAZMU-SFHVURJKSA-N 1 0 398.555 4.160 20 0 GIADRO CCOc1ccccc1OC1CCN(C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000056621253 823183127 /nfs/dbraw/zinc/18/31/27/823183127.db2.gz QLCLNDQETANMJN-UHFFFAOYSA-N 1 0 397.519 4.222 20 0 GIADRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+]Cc3ccc(C4CC4)cc3)cc2)C[C@@H](C)O1 ZINC000459387933 823180191 /nfs/dbraw/zinc/18/01/91/823180191.db2.gz DILIFEOVKAWSAM-QZTJIDSGSA-N 1 0 378.516 4.103 20 0 GIADRO Cc1c(Br)cccc1NC(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000459389103 823180524 /nfs/dbraw/zinc/18/05/24/823180524.db2.gz LRFWDNGSBPJDPE-UHFFFAOYSA-N 1 0 396.354 4.415 20 0 GIADRO CCOC(=O)c1noc(C[N@H+](C)[C@@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)n1 ZINC000459397772 823183248 /nfs/dbraw/zinc/18/32/48/823183248.db2.gz JTOAGAWGKRGOIR-HUUCEWRRSA-N 1 0 397.397 4.033 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+]Cc2cc(=O)[nH]c(-c3ccccc3)n2)cc1OC ZINC000459392663 823181755 /nfs/dbraw/zinc/18/17/55/823181755.db2.gz LYHLTMFKXIBSDM-OAHLLOKOSA-N 1 0 379.460 4.107 20 0 GIADRO Cc1cnc([C@H]([NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)C2CC2)s1 ZINC000188076860 823182476 /nfs/dbraw/zinc/18/24/76/823182476.db2.gz YGANLZYSPDBOFZ-LADRWXRNSA-N 1 0 395.528 4.100 20 0 GIADRO CCCOc1ccc(Oc2ncccc2CNC2CC[NH+](C3CC3)CC2)cc1 ZINC000459400266 823183769 /nfs/dbraw/zinc/18/37/69/823183769.db2.gz ZWPQKSUHOSKBGX-UHFFFAOYSA-N 1 0 381.520 4.379 20 0 GIADRO CCN(Cc1c[nH]c2ccccc12)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000188084581 823183955 /nfs/dbraw/zinc/18/39/55/823183955.db2.gz PATLODDMMDFUDP-OAQYLSRUSA-N 1 0 382.483 4.141 20 0 GIADRO CCOc1cc(C[NH2+][C@@H](CCC(=O)OC)c2ccccc2)cc(Cl)c1O ZINC000459403134 823185085 /nfs/dbraw/zinc/18/50/85/823185085.db2.gz KUDMLSKXVOCZTC-KRWDZBQOSA-N 1 0 377.868 4.228 20 0 GIADRO CCN1CC[C@H]([NH2+][C@H](C)c2ccc(OC)c(O)c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000571453778 823185332 /nfs/dbraw/zinc/18/53/32/823185332.db2.gz CWYMXMQITARQNU-CNBXIYLPSA-N 1 0 394.437 4.304 20 0 GIADRO CC(C)c1nccn1Cc1cccc(NC(=O)NC[C@H](C)[NH+]2CCCCC2)c1 ZINC000056629403 823185405 /nfs/dbraw/zinc/18/54/05/823185405.db2.gz NCQOYDPQZQLLRN-SFHVURJKSA-N 1 0 383.540 4.051 20 0 GIADRO c1c(C[NH2+][C@H]2CCN(c3ccccc3)C2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459413660 823187292 /nfs/dbraw/zinc/18/72/92/823187292.db2.gz UQNZAHACOPYYRC-FQEVSTJZSA-N 1 0 387.531 4.429 20 0 GIADRO CC(C)Oc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)cc1Cl ZINC000188107908 823187662 /nfs/dbraw/zinc/18/76/62/823187662.db2.gz WVFSVULNNXYRGX-VQIMIIECSA-N 1 0 376.928 4.103 20 0 GIADRO C[C@@H]1CN(c2ccccc2C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CCO1 ZINC000459416443 823188004 /nfs/dbraw/zinc/18/80/04/823188004.db2.gz CEWXDGKFUIKGGT-YZUZCNPQSA-N 1 0 393.575 4.054 20 0 GIADRO C[NH+](C)Cc1ccnc(NCc2cc(Br)cc(Br)c2)c1 ZINC000571480669 823189393 /nfs/dbraw/zinc/18/93/93/823189393.db2.gz VJVPIYJXEDUHJR-UHFFFAOYSA-N 1 0 399.130 4.280 20 0 GIADRO COc1ccc(-c2ccccc2C)cc1CNC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000459423937 823189643 /nfs/dbraw/zinc/18/96/43/823189643.db2.gz GCSVSVQYQBCYOS-HXUWFJFHSA-N 1 0 394.559 4.261 20 0 GIADRO Cc1ccc(CN(CC[NH+](C)C)Cc2c(C)nn(Cc3ccccc3)c2C)o1 ZINC000571483542 823189679 /nfs/dbraw/zinc/18/96/79/823189679.db2.gz DSFUBNMNBXYKKP-UHFFFAOYSA-N 1 0 380.536 4.013 20 0 GIADRO Cc1nn(C)c2ncc(C[NH2+]CC(C)(C)c3ccccc3Br)cc12 ZINC000121474804 823191138 /nfs/dbraw/zinc/19/11/38/823191138.db2.gz UFAWFEUUVLBPIZ-UHFFFAOYSA-N 1 0 387.325 4.107 20 0 GIADRO CCOc1cc(C[NH2+][C@H](CC(C)C)C(=O)Nc2nccs2)cc(Cl)c1O ZINC000459432878 823191103 /nfs/dbraw/zinc/19/11/03/823191103.db2.gz HIYAPRUKVMGQSQ-CQSZACIVSA-N 1 0 397.928 4.044 20 0 GIADRO C[C@@H]1CN(c2ccccc2C[NH2+][C@@H]2CC(C)(C)Oc3cc(F)ccc32)CCO1 ZINC000459433560 823191168 /nfs/dbraw/zinc/19/11/68/823191168.db2.gz LWQUNTJYFGWOII-OXQOHEQNSA-N 1 0 384.495 4.443 20 0 GIADRO COc1ccc(-c2ccccc2C)cc1C[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000459437003 823191944 /nfs/dbraw/zinc/19/19/44/823191944.db2.gz GHOFRLBHHNAVNU-NRFANRHFSA-N 1 0 381.516 4.488 20 0 GIADRO Cc1nccn1C[C@H](C)C[NH2+][C@@H]1CCSc2ccc(Br)cc21 ZINC000121482988 823192569 /nfs/dbraw/zinc/19/25/69/823192569.db2.gz FUVDHSIRLYWCIA-MLGOLLRUSA-N 1 0 380.355 4.417 20 0 GIADRO C[NH+](C)CCN(Cc1cccs1)C(=O)N[C@@H]1CCSc2ccc(F)cc21 ZINC000176368562 823192597 /nfs/dbraw/zinc/19/25/97/823192597.db2.gz QCDKPRVGYIUJCP-QGZVFWFLSA-N 1 0 393.553 4.198 20 0 GIADRO C[C@H](CN1CCCC1=O)[NH2+][C@@H](C)c1ccc(Br)cc1C(F)(F)F ZINC000188140365 823192676 /nfs/dbraw/zinc/19/26/76/823192676.db2.gz UWHQHGHKCKTQCI-MNOVXSKESA-N 1 0 393.247 4.129 20 0 GIADRO CCOc1cc(C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)cc(Cl)c1O ZINC000459441939 823192731 /nfs/dbraw/zinc/19/27/31/823192731.db2.gz ODXUKBGSEPVKMA-UHFFFAOYSA-N 1 0 383.916 4.434 20 0 GIADRO C[C@@H](CNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)Sc1ccccc1 ZINC000176371191 823193148 /nfs/dbraw/zinc/19/31/48/823193148.db2.gz OXEJVAATGPXCLG-IBGZPJMESA-N 1 0 397.588 4.473 20 0 GIADRO FC(F)(F)c1cccc([C@@H]([NH2+]CCn2cc(Cl)cn2)C2CCOCC2)c1 ZINC000459444616 823193234 /nfs/dbraw/zinc/19/32/34/823193234.db2.gz CMOQOLQXDCUCDM-KRWDZBQOSA-N 1 0 387.833 4.313 20 0 GIADRO CCO[C@@H]1C[C@@H]([NH2+]CCc2nnc(-c3ccccc3)o2)[C@H]1Sc1ccccc1 ZINC000459443535 823193354 /nfs/dbraw/zinc/19/33/54/823193354.db2.gz DRPVKZOOKAGBMY-SFHLNBCPSA-N 1 0 395.528 4.207 20 0 GIADRO CC(C)CC(=O)N1CCC([NH2+][C@H](C)Cc2ccc(Br)cc2)CC1 ZINC000188157133 823195781 /nfs/dbraw/zinc/19/57/81/823195781.db2.gz CJJXCXGOBRDHOC-OAHLLOKOSA-N 1 0 381.358 4.007 20 0 GIADRO Cc1ccc(NC(=O)C2(C[NH2+][C@H](C)c3cc4n(n3)CCC4)CCCC2)cc1C ZINC000571502662 823193431 /nfs/dbraw/zinc/19/34/31/823193431.db2.gz GVPCRHCFRPAANM-GOSISDBHSA-N 1 0 380.536 4.296 20 0 GIADRO COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)[N@H+](C)CCc1ccncc1 ZINC000121489038 823193739 /nfs/dbraw/zinc/19/37/39/823193739.db2.gz XUQHUHAFXNUPOP-QHCPKHFHSA-N 1 0 389.499 4.253 20 0 GIADRO C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000571505058 823193800 /nfs/dbraw/zinc/19/38/00/823193800.db2.gz KAHWBBYUDOJCQB-PMUMKWKESA-N 1 0 386.927 4.207 20 0 GIADRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](CCO)c2ccc(OC)cc2)[C@H]1Sc1ccccc1 ZINC000459446364 823193842 /nfs/dbraw/zinc/19/38/42/823193842.db2.gz FGQVFGXIJVSTLP-DXBBTUNJSA-N 1 0 387.545 4.047 20 0 GIADRO CCc1noc(-c2ccc(C)c(NC(=O)[C@H]3CCC[N@@H+]3Cc3ccccc3)c2)n1 ZINC000176376722 823193855 /nfs/dbraw/zinc/19/38/55/823193855.db2.gz YCQHMUNCIDIMPF-HXUWFJFHSA-N 1 0 390.487 4.211 20 0 GIADRO CCOc1cc(C[NH2+]Cc2ccc(C)cc2OC)cc(Br)c1O ZINC000459455601 823195824 /nfs/dbraw/zinc/19/58/24/823195824.db2.gz ZBUYJCWPAWVCLP-UHFFFAOYSA-N 1 0 380.282 4.160 20 0 GIADRO COCc1cc(CNC[C@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)no1 ZINC000459449261 823194220 /nfs/dbraw/zinc/19/42/20/823194220.db2.gz TYJMRBIKTNTMPT-DNVCBOLYSA-N 1 0 397.441 4.013 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1cc(NC(C)=O)ccc1Cl)CC(C)C ZINC000056692799 823194697 /nfs/dbraw/zinc/19/46/97/823194697.db2.gz RQHSMORERMZTOB-MRXNPFEDSA-N 1 0 382.936 4.176 20 0 GIADRO CSc1ccc([C@H](CNC(=O)Nc2ccc3c(c2)nn(C)c3C)[NH+](C)C)cc1 ZINC000571516516 823194834 /nfs/dbraw/zinc/19/48/34/823194834.db2.gz BJHKAFJOEMHBFP-FQEVSTJZSA-N 1 0 397.548 4.028 20 0 GIADRO CSc1ccc([C@@H](CNC(=O)Nc2ccc3c(c2)nn(C)c3C)[NH+](C)C)cc1 ZINC000571516520 823194902 /nfs/dbraw/zinc/19/49/02/823194902.db2.gz BJHKAFJOEMHBFP-HXUWFJFHSA-N 1 0 397.548 4.028 20 0 GIADRO CCC1(CC)Oc2ccc(NC(=O)N3CC[C@H](C[NH+]4CCCCC4)C3)cc2O1 ZINC000188166546 823196974 /nfs/dbraw/zinc/19/69/74/823196974.db2.gz OJZOQYDCTOQUPD-QGZVFWFLSA-N 1 0 387.524 4.314 20 0 GIADRO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N2CCCCC2)C1 ZINC000121510277 823197358 /nfs/dbraw/zinc/19/73/58/823197358.db2.gz WDJYGGFHIKVERB-RBUKOAKNSA-N 1 0 382.552 4.198 20 0 GIADRO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N2CCCCC2)C1 ZINC000121510437 823197424 /nfs/dbraw/zinc/19/74/24/823197424.db2.gz WDJYGGFHIKVERB-OALUTQOASA-N 1 0 382.552 4.198 20 0 GIADRO Oc1cccc(C[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)c1Br ZINC000459466055 823198112 /nfs/dbraw/zinc/19/81/12/823198112.db2.gz OOFVRYKADVFLFE-RHSMWYFYSA-N 1 0 382.685 4.428 20 0 GIADRO C[C@@H]1C[NH+](CCC2CCN(C(=O)Nc3cccc(Cl)c3)CC2)C[C@@H](C)O1 ZINC000176395551 823198404 /nfs/dbraw/zinc/19/84/04/823198404.db2.gz UAUIFZRAJNRPEO-HZPDHXFCSA-N 1 0 379.932 4.083 20 0 GIADRO CC1(C)[C@H]([NH2+]Cc2cc(Br)cc(Br)c2)[C@H]2CCO[C@@H]21 ZINC000571545947 823198798 /nfs/dbraw/zinc/19/87/98/823198798.db2.gz ZNJPQOYGYRECFR-MCIONIFRSA-N 1 0 389.131 4.115 20 0 GIADRO O=C(c1ccncc1)N1CCC([NH2+][C@@H]2CCC[C@@H]2CCc2ccccc2)CC1 ZINC000459468921 823198976 /nfs/dbraw/zinc/19/89/76/823198976.db2.gz SGULYQJGIBOHQG-NFBKMPQASA-N 1 0 377.532 4.077 20 0 GIADRO COc1ccc([C@H](NC(=O)C[NH2+][C@H](C)c2ccc(OC)c(F)c2)C(C)C)cc1 ZINC000121520799 823199086 /nfs/dbraw/zinc/19/90/86/823199086.db2.gz WYMGEWNGFXQZHX-IVZQSRNASA-N 1 0 388.483 4.007 20 0 GIADRO CCCCn1cc(C[NH2+]Cc2cc(Br)c(O)c(OCC)c2)c(C)n1 ZINC000459473707 823199523 /nfs/dbraw/zinc/19/95/23/823199523.db2.gz XBVNPMUOYZSJTQ-UHFFFAOYSA-N 1 0 396.329 4.148 20 0 GIADRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]CCc1cc(F)cc2c1OCOC2 ZINC000188182915 823199757 /nfs/dbraw/zinc/19/97/57/823199757.db2.gz FRTVMCKEQHETPU-ZDUSSCGKSA-N 1 0 394.284 4.218 20 0 GIADRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1cccs1)c1ccc(OC(F)F)cc1 ZINC000176401643 823200270 /nfs/dbraw/zinc/20/02/70/823200270.db2.gz DFDNEDCETODNJM-AWEZNQCLSA-N 1 0 397.491 4.184 20 0 GIADRO C[C@H](NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)[C@@H](C)c1ccccc1 ZINC000176406196 823201400 /nfs/dbraw/zinc/20/14/00/823201400.db2.gz CITHJOSFZWPRIE-UXHICEINSA-N 1 0 379.548 4.485 20 0 GIADRO C[C@@H](C[N@H+](Cc1cnn(Cc2ccc(F)cc2)c1)[C@@H](C)CO)c1ccccc1 ZINC000571567948 823201832 /nfs/dbraw/zinc/20/18/32/823201832.db2.gz BYPYSBKTHXRMBD-OALUTQOASA-N 1 0 381.495 4.057 20 0 GIADRO CC(=O)Nc1ccc(C)c(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000188199746 823202284 /nfs/dbraw/zinc/20/22/84/823202284.db2.gz OKRYACWVQYGPOT-QGZVFWFLSA-N 1 0 393.531 4.115 20 0 GIADRO COc1cc(OC)cc(N2CC[C@@H](C[NH2+][C@@H]3CCc4c3cc(F)cc4F)C2)c1 ZINC000121541791 823202718 /nfs/dbraw/zinc/20/27/18/823202718.db2.gz WOVXQRWKBCPEBP-RCDICMHDSA-N 1 0 388.458 4.085 20 0 GIADRO CC(C)Cn1ncc(NC(=O)N(CC[NH+](C)C)Cc2ccsc2)c1C(C)C ZINC000459488875 823203004 /nfs/dbraw/zinc/20/30/04/823203004.db2.gz WBEJEPUYRCCHDY-UHFFFAOYSA-N 1 0 391.585 4.320 20 0 GIADRO CC[N@H+]1C[C@@H](C)N(CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000459490691 823203157 /nfs/dbraw/zinc/20/31/57/823203157.db2.gz YMRNSJRYLUVAIE-KHYOSLBOSA-N 1 0 398.378 4.071 20 0 GIADRO COc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccsc2)cc1OC(C)C ZINC000459493318 823203585 /nfs/dbraw/zinc/20/35/85/823203585.db2.gz PHFBRFBJMYNODP-UHFFFAOYSA-N 1 0 391.537 4.140 20 0 GIADRO COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000188211321 823203645 /nfs/dbraw/zinc/20/36/45/823203645.db2.gz RKMJNDFOOMGTIT-UNMCSNQZSA-N 1 0 394.515 4.432 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2cc(-c3ccc(C)cc3)no2)C1)CC(F)(F)F ZINC000176415198 823203743 /nfs/dbraw/zinc/20/37/43/823203743.db2.gz BTUGXBVVDVXBHS-INIZCTEOSA-N 1 0 381.442 4.356 20 0 GIADRO CCOc1cc(C[NH2+][C@H](C)c2ccc(Br)cc2OC)ccc1O ZINC000459501398 823205349 /nfs/dbraw/zinc/20/53/49/823205349.db2.gz ZNPSYFXBWQRZJU-GFCCVEGCSA-N 1 0 380.282 4.413 20 0 GIADRO CCOc1cc(CNc2cccc3c2OCC[C@H]3[NH+](C)C)cc(Cl)c1O ZINC000459501519 823205383 /nfs/dbraw/zinc/20/53/83/823205383.db2.gz ILRKIGURBNFSFT-QGZVFWFLSA-N 1 0 376.884 4.442 20 0 GIADRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)cc1 ZINC000459500486 823205415 /nfs/dbraw/zinc/20/54/15/823205415.db2.gz YHHVYNVTWRVCFH-NRFANRHFSA-N 1 0 390.531 4.062 20 0 GIADRO c1csc(-c2cccc(OC[C@H]3C[N@H+](Cc4ccccc4)CCCO3)c2)n1 ZINC000571604278 823206848 /nfs/dbraw/zinc/20/68/48/823206848.db2.gz JMDOCHBVXBEZMC-OAQYLSRUSA-N 1 0 380.513 4.480 20 0 GIADRO CC(C)[NH+]1CCN(CCCSc2ncnc3sc4c(c32)CCCC4)CC1 ZINC000188222263 823205593 /nfs/dbraw/zinc/20/55/93/823205593.db2.gz RFQSJJKQAQUNIS-UHFFFAOYSA-N 1 0 390.622 4.078 20 0 GIADRO CC(=O)CCc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2oc3ccccc3c2C)cc1 ZINC000571601834 823206088 /nfs/dbraw/zinc/20/60/88/823206088.db2.gz DIBKGYCTXXZFHK-ICSRJNTNSA-N 1 0 395.499 4.353 20 0 GIADRO Cc1cccc(NC(=O)N(CC[NH+](C)C)Cc2ccsc2)c1Br ZINC000459508704 823207375 /nfs/dbraw/zinc/20/73/75/823207375.db2.gz MIJNMJRJLIFRQV-UHFFFAOYSA-N 1 0 396.354 4.415 20 0 GIADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H](C)c2ccc3cc(OC)ccc3c2)c1 ZINC000121567539 823207510 /nfs/dbraw/zinc/20/75/10/823207510.db2.gz LEXWUAMGPAZKTC-HZPDHXFCSA-N 1 0 398.528 4.168 20 0 GIADRO CCc1ccccc1CC(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC000188238285 823208012 /nfs/dbraw/zinc/20/80/12/823208012.db2.gz JWAWJXJGRXIGHI-UHFFFAOYSA-N 1 0 383.511 4.100 20 0 GIADRO CC(C)c1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)Cc1ccc(Br)cc1 ZINC000188241930 823208255 /nfs/dbraw/zinc/20/82/55/823208255.db2.gz BMLGBGJKGGTMJH-XJKSGUPXSA-N 1 0 377.330 4.220 20 0 GIADRO CC1CC[NH+]([C@H](CNC(=O)N2CCC(F)(F)[C@H](C)C2)c2cccs2)CC1 ZINC000571609655 823208312 /nfs/dbraw/zinc/20/83/12/823208312.db2.gz YPOLDDSVMOZNED-HZPDHXFCSA-N 1 0 385.524 4.208 20 0 GIADRO O[C@H](C[NH2+]C[C@@H](c1cccs1)N1CCCC1)Cc1ccc2ccccc2c1 ZINC000571630888 823212203 /nfs/dbraw/zinc/21/22/03/823212203.db2.gz IFOXRMSQVORDCZ-VXKWHMMOSA-N 1 0 380.557 4.231 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1C[NH2+]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000459515593 823208946 /nfs/dbraw/zinc/20/89/46/823208946.db2.gz PKCYXANZMTWFFA-SUMWQHHRSA-N 1 0 387.471 4.155 20 0 GIADRO CCOc1cc(C[N@H+](CCc2ccccn2)Cc2cccnc2)cc(Cl)c1O ZINC000459515609 823209010 /nfs/dbraw/zinc/20/90/10/823209010.db2.gz REPGEVXDHJKPMO-UHFFFAOYSA-N 1 0 397.906 4.479 20 0 GIADRO Cc1c(F)cccc1-c1ccc(C[NH2+][C@H]2CCCN(CC(F)(F)F)C2=O)o1 ZINC000121581174 823210192 /nfs/dbraw/zinc/21/01/92/823210192.db2.gz CGKVUGPOTHSZEO-INIZCTEOSA-N 1 0 384.373 4.037 20 0 GIADRO COc1cc(C[NH+]2CCC([C@H]3CCCO3)CC2)ccc1OCc1ccncc1 ZINC000188260418 823210471 /nfs/dbraw/zinc/21/04/71/823210471.db2.gz JPWGHLFPWZHKRN-OAQYLSRUSA-N 1 0 382.504 4.060 20 0 GIADRO CCC[NH+]1CCN(c2ccc(NC(=O)N(C)Cc3ccco3)cc2Cl)CC1 ZINC000056771901 823210707 /nfs/dbraw/zinc/21/07/07/823210707.db2.gz YGAYUOHCVYAYRI-UHFFFAOYSA-N 1 0 390.915 4.129 20 0 GIADRO C[C@H](c1ccc2ccccc2c1)N(C(=O)NCCCC[NH+]1CCOCC1)C1CC1 ZINC000121582419 823210848 /nfs/dbraw/zinc/21/08/48/823210848.db2.gz HRRHQGDJNXYKKB-LJQANCHMSA-N 1 0 395.547 4.187 20 0 GIADRO COc1ccccc1-c1cccc(NC(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000571623087 823211018 /nfs/dbraw/zinc/21/10/18/823211018.db2.gz HDAODUWHYFGXRA-OALUTQOASA-N 1 0 379.504 4.216 20 0 GIADRO OC[C@H](C[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1)CC1CCCC1 ZINC000459524173 823211060 /nfs/dbraw/zinc/21/10/60/823211060.db2.gz GPIQOFLQLCTWQM-IBGZPJMESA-N 1 0 382.552 4.339 20 0 GIADRO Cc1noc(CC[NH2+][C@@H](C)c2ccc(Br)cc2C(F)(F)F)n1 ZINC000188267418 823211514 /nfs/dbraw/zinc/21/15/14/823211514.db2.gz GYMLMNIMMCEILP-QMMMGPOBSA-N 1 0 378.192 4.053 20 0 GIADRO Cc1cc(C(=O)Nc2nc(C3CC[NH2+]CC3)cs2)c(C)cc1Br ZINC000571633675 823212704 /nfs/dbraw/zinc/21/27/04/823212704.db2.gz VXXFYWJAJOITIT-UHFFFAOYSA-N 1 0 394.338 4.242 20 0 GIADRO COCc1cc(C[N@H+](Cc2ccc(OC)c(OC)c2)[C@@H]2CCCC[C@H]2C)no1 ZINC000459549602 823217829 /nfs/dbraw/zinc/21/78/29/823217829.db2.gz FCEWLNUWFSTSJH-OXQOHEQNSA-N 1 0 388.508 4.419 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(-c2csnn2)cc1)c1ccccc1 ZINC000056786695 823213157 /nfs/dbraw/zinc/21/31/57/823213157.db2.gz WWLHLRRIGIEZNR-FQEVSTJZSA-N 1 0 395.532 4.410 20 0 GIADRO CCOc1cc(CN2CCC=C(c3ccncc3)C2)cc(Br)c1O ZINC000459549786 823217902 /nfs/dbraw/zinc/21/79/02/823217902.db2.gz NUIIXAVGGJSGFK-UHFFFAOYSA-N 1 0 389.293 4.238 20 0 GIADRO COC[C@H]([NH2+]CCc1csc(-c2ccc(Cl)cc2)n1)C1CCOCC1 ZINC000188280414 823213588 /nfs/dbraw/zinc/21/35/88/823213588.db2.gz CRDRJKSCHVWTQL-SFHVURJKSA-N 1 0 380.941 4.037 20 0 GIADRO CCCOC[C@H](Cc1cccc(Br)c1)[NH2+]C1CCN(C2CC2)CC1 ZINC000459533984 823213958 /nfs/dbraw/zinc/21/39/58/823213958.db2.gz OYLCCUOUDLIISH-IBGZPJMESA-N 1 0 395.385 4.003 20 0 GIADRO CO[C@H](C)c1nc(C)c(C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)s1 ZINC000176466719 823214084 /nfs/dbraw/zinc/21/40/84/823214084.db2.gz BMQPEYZEYUCEIY-DZGCQCFKSA-N 1 0 375.538 4.018 20 0 GIADRO COc1ccc(-c2ccccc2C)cc1C[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C ZINC000459535434 823214178 /nfs/dbraw/zinc/21/41/78/823214178.db2.gz NZXABVOWGMITNS-YADHBBJMSA-N 1 0 393.531 4.047 20 0 GIADRO C[C@@H]([NH2+]C(C)(C)CNC(=O)Nc1ccc(-c2nncs2)cc1)c1ccccc1 ZINC000459536813 823214768 /nfs/dbraw/zinc/21/47/68/823214768.db2.gz CASRHYDVKDONAN-OAHLLOKOSA-N 1 0 395.532 4.456 20 0 GIADRO CCOc1cc(C[NH+]2CCC([C@@H]3CCCO3)CC2)ccc1OCC(F)(F)F ZINC000188291003 823215057 /nfs/dbraw/zinc/21/50/57/823215057.db2.gz UAFGLEXYGWRMQW-KRWDZBQOSA-N 1 0 387.442 4.417 20 0 GIADRO C[C@]1(C[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)CCO[C@@H]1C1CC1 ZINC000459539333 823215273 /nfs/dbraw/zinc/21/52/73/823215273.db2.gz TUFDKLBKLXUCTB-DHIUTWEWSA-N 1 0 380.536 4.355 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCC1)N1CCC[C@H]1c1cccc(F)c1 ZINC000056813592 823218366 /nfs/dbraw/zinc/21/83/66/823218366.db2.gz TYYUPAIAILBHOQ-QFIPXVFZSA-N 1 0 381.495 4.468 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)N[C@H]1CCOc2c(Cl)cccc21 ZINC000056805501 823217131 /nfs/dbraw/zinc/21/71/31/823217131.db2.gz KCTULRLHBTVCMV-FQEVSTJZSA-N 1 0 399.922 4.259 20 0 GIADRO Cc1cnc([C@@H](C)NC(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)s1 ZINC000176478783 823217151 /nfs/dbraw/zinc/21/71/51/823217151.db2.gz RNWWVKHWFNUPQV-QGZVFWFLSA-N 1 0 386.565 4.244 20 0 GIADRO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1C/C=C\c1ccc(OCc2ccccc2)cc1 ZINC000459546014 823217200 /nfs/dbraw/zinc/21/72/00/823217200.db2.gz MBWRGUDHSYJBSP-KXMLYBLQSA-N 1 0 392.543 4.074 20 0 GIADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)N(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000176489685 823219631 /nfs/dbraw/zinc/21/96/31/823219631.db2.gz FNZLDAOYUJMTOU-QHCPKHFHSA-N 1 0 399.579 4.174 20 0 GIADRO CN(CCc1ccc(Cl)cc1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176491242 823219960 /nfs/dbraw/zinc/21/99/60/823219960.db2.gz FPVLTBVDCJIOJQ-UHFFFAOYSA-N 1 0 377.960 4.321 20 0 GIADRO CC[C@@]1(C[NH2+][C@@H](C)c2ccc(NC(C)=O)cc2OC)OCCc2ccccc21 ZINC000571694730 823220124 /nfs/dbraw/zinc/22/01/24/823220124.db2.gz MHQNBOJZICWUKR-HJPURHCSSA-N 1 0 382.504 4.182 20 0 GIADRO CC(C)Oc1ccc(NC(=O)c2ccccc2OCC[NH+](C)C)c(Cl)c1 ZINC000188327449 823220322 /nfs/dbraw/zinc/22/03/22/823220322.db2.gz LVHYQWVBSRNYNQ-UHFFFAOYSA-N 1 0 376.884 4.320 20 0 GIADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)N(Cc1ccc(F)cc1F)C1CC1 ZINC000176493769 823220517 /nfs/dbraw/zinc/22/05/17/823220517.db2.gz APTCTTHBVIOYPM-UHFFFAOYSA-N 1 0 391.506 4.436 20 0 GIADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000176494696 823220789 /nfs/dbraw/zinc/22/07/89/823220789.db2.gz FVSMLIDLRAWGOA-UHFFFAOYSA-N 1 0 398.526 4.172 20 0 GIADRO CC1(C)C[N@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)[C@H]1[C@H]1CCCO1 ZINC000459562879 823220835 /nfs/dbraw/zinc/22/08/35/823220835.db2.gz NQVOJUFHAVCFHC-IRLDBZIGSA-N 1 0 380.536 4.450 20 0 GIADRO C[C@@H]1[C@H](N2CCOCC2)CC[N@@H+]1C/C=C\c1ccc(OCc2ccccc2)cc1 ZINC000459561956 823220969 /nfs/dbraw/zinc/22/09/69/823220969.db2.gz MJIUIUBDGVUPNV-FMOCSNJPSA-N 1 0 392.543 4.074 20 0 GIADRO COc1ccc(-c2ccccc2C)cc1C[N@@H+]1CC[C@H](C(=O)N2CCCC2)C1 ZINC000459565065 823221556 /nfs/dbraw/zinc/22/15/56/823221556.db2.gz RFWFIZZWTGGIJG-FQEVSTJZSA-N 1 0 378.516 4.115 20 0 GIADRO O[C@@H]1CC[C@@H]2C[N@H+](Cc3cn(C4CCCC4)nc3-c3ccccn3)CC[C@@H]2C1 ZINC000459570624 823222590 /nfs/dbraw/zinc/22/25/90/823222590.db2.gz MPZXISQFDWKNLZ-DBXWQHBBSA-N 1 0 380.536 4.043 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)NC(=O)NC(C)(C)CC[NH+]2CCCCCC2)c1 ZINC000188319216 823218758 /nfs/dbraw/zinc/21/87/58/823218758.db2.gz YHTSPWFKEKOXRH-KRWDZBQOSA-N 1 0 388.556 4.050 20 0 GIADRO CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+]2CC3(CCCC3)[C@H]2c2ccccc2)cc1 ZINC000459574226 823223490 /nfs/dbraw/zinc/22/34/90/823223490.db2.gz RYTIZLDBOZADOJ-JTHBVZDNSA-N 1 0 394.515 4.002 20 0 GIADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@@H](C)c2ccc(OC(C)C)cc2)o1 ZINC000056849169 823223434 /nfs/dbraw/zinc/22/34/34/823223434.db2.gz BSNASFACPPQMBP-SFHVURJKSA-N 1 0 387.524 4.210 20 0 GIADRO COc1ccc(C)cc1NC(=O)[C@H]([NH2+]CCOc1ccccc1)c1ccccc1 ZINC000056851670 823223839 /nfs/dbraw/zinc/22/38/39/823223839.db2.gz SDQOZISNTSKICL-HSZRJFAPSA-N 1 0 390.483 4.352 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)C(C)(C)Cc1nc2ccccc2[nH]1)c1ccsc1 ZINC000409461323 823224899 /nfs/dbraw/zinc/22/48/99/823224899.db2.gz YMZNQPRRTHOOGI-LJQANCHMSA-N 1 0 398.576 4.392 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)c2c(C)nc(C3CC3)nc2SC)cc1 ZINC000188356605 823225217 /nfs/dbraw/zinc/22/52/17/823225217.db2.gz DWTSJSOEGHPTOR-UHFFFAOYSA-N 1 0 384.549 4.478 20 0 GIADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@H](C)c2ccc(OC(F)F)cc2)o1 ZINC000056866351 823225630 /nfs/dbraw/zinc/22/56/30/823225630.db2.gz STALOHDNUVSEES-OAHLLOKOSA-N 1 0 395.450 4.024 20 0 GIADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@@H](C)c2cccc(OC(F)F)c2)o1 ZINC000056866507 823225667 /nfs/dbraw/zinc/22/56/67/823225667.db2.gz OWRZVZZXDHVQED-HNNXBMFYSA-N 1 0 395.450 4.024 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)N[C@H](C)c2ccc(OC(F)F)cc2)CC1 ZINC000056866355 823225690 /nfs/dbraw/zinc/22/56/90/823225690.db2.gz VCBJENFFJQMULU-OAHLLOKOSA-N 1 0 383.483 4.111 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)Nc2cc(F)ccc2OC(F)F)CC1 ZINC000121665880 823225721 /nfs/dbraw/zinc/22/57/21/823225721.db2.gz KASRZSHUZAEFHP-UHFFFAOYSA-N 1 0 387.446 4.403 20 0 GIADRO O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000409463714 823225898 /nfs/dbraw/zinc/22/58/98/823225898.db2.gz FXXJATAAPIWBGB-NRFANRHFSA-N 1 0 397.482 4.202 20 0 GIADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000409464313 823226165 /nfs/dbraw/zinc/22/61/65/823226165.db2.gz PCRNABISTKRASB-MDYRTPRTSA-N 1 0 396.934 4.185 20 0 GIADRO COc1ccc(-c2ccccc2C)cc1C[NH2+][C@@H](C1CC1)C1(CO)CCOCC1 ZINC000459592946 823226772 /nfs/dbraw/zinc/22/67/72/823226772.db2.gz PQBQEKXNNWTFRH-DEOSSOPVSA-N 1 0 395.543 4.328 20 0 GIADRO CC(C)(O)C1C[NH+](Cc2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)C1 ZINC000459610122 823229049 /nfs/dbraw/zinc/22/90/49/823229049.db2.gz MUJHVZDSDNJNPQ-UHFFFAOYSA-N 1 0 395.934 4.455 20 0 GIADRO C[C@@H]([NH2+]C1(CNC(=O)c2cccnc2C(F)(F)F)CCCC1)c1ccccc1 ZINC000188380464 823230050 /nfs/dbraw/zinc/23/00/50/823230050.db2.gz FLSLLJRTIJYUFL-OAHLLOKOSA-N 1 0 391.437 4.494 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(Cl)ncc3Cl)c(C)c2)CC1 ZINC000121685631 823230240 /nfs/dbraw/zinc/23/02/40/823230240.db2.gz VHTLJNMPFNDCRJ-UHFFFAOYSA-N 1 0 393.318 4.091 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1cc(Cl)ncc1Cl ZINC000121697724 823232868 /nfs/dbraw/zinc/23/28/68/823232868.db2.gz CBZDTVSMLCWCDE-UHFFFAOYSA-N 1 0 378.303 4.304 20 0 GIADRO Cc1ccccc1[C@H](OC[C@@H](O)C[NH2+][C@@H](C)c1cncc(F)c1)c1ccccc1 ZINC000459618111 823230530 /nfs/dbraw/zinc/23/05/30/823230530.db2.gz BUPWJVHHFFILDK-JKFKMHIGSA-N 1 0 394.490 4.347 20 0 GIADRO CC[C@H](NC(=O)N(CC[NH+](C)C)Cc1cccs1)c1ccc(F)cc1F ZINC000176535646 823231655 /nfs/dbraw/zinc/23/16/55/823231655.db2.gz SFSGTZIHAIOHDY-SFHVURJKSA-N 1 0 381.492 4.251 20 0 GIADRO O=C(Nc1ccc(OCc2ccccc2)cc1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000409486682 823232415 /nfs/dbraw/zinc/23/24/15/823232415.db2.gz NXZLMJIQDWSITF-OAQYLSRUSA-N 1 0 379.504 4.358 20 0 GIADRO C[C@H](CCCc1cccnc1)[NH2+]CCc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000459632214 823233397 /nfs/dbraw/zinc/23/33/97/823233397.db2.gz FAGUGIJVOCWCCJ-OAHLLOKOSA-N 1 0 395.576 4.091 20 0 GIADRO CC(C)CC[NH+]1CCC(CNC(=O)c2cccc(OCc3cccnc3)c2)CC1 ZINC000176546872 823234179 /nfs/dbraw/zinc/23/41/79/823234179.db2.gz AJVIQPUEWACQSM-UHFFFAOYSA-N 1 0 395.547 4.149 20 0 GIADRO FC(F)(F)[C@H]1CC[N@H+](Cc2ccc(-n3cccn3)cc2)CC12CCOCC2 ZINC000459646247 823237447 /nfs/dbraw/zinc/23/74/47/823237447.db2.gz RVEBCBRGWPOKQR-SFHVURJKSA-N 1 0 379.426 4.053 20 0 GIADRO CC(C)CN(CC[NH+](C)C)C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000176547220 823234555 /nfs/dbraw/zinc/23/45/55/823234555.db2.gz RVOXNZBWPLSGRJ-UHFFFAOYSA-N 1 0 397.523 4.382 20 0 GIADRO Cc1nc(-c2cccc(NC(=O)C[NH2+][C@@H](C)CCCc3cccnc3)c2)cs1 ZINC000459640540 823235627 /nfs/dbraw/zinc/23/56/27/823235627.db2.gz LNQCWSPFIKIVIA-INIZCTEOSA-N 1 0 394.544 4.453 20 0 GIADRO COc1ccc2c(c1)C1(CC1)C[N@@H+](CCc1nc(-c3ccc(Cl)cc3)no1)C2 ZINC000571809927 823237625 /nfs/dbraw/zinc/23/76/25/823237625.db2.gz DHZZUISONRIXLM-UHFFFAOYSA-N 1 0 395.890 4.489 20 0 GIADRO Cc1c(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cccc1-c1ccccn1 ZINC000121715586 823236188 /nfs/dbraw/zinc/23/61/88/823236188.db2.gz LVLSKLLBKWIYKQ-UHFFFAOYSA-N 1 0 385.511 4.405 20 0 GIADRO COc1ccc([C@H]([NH2+]C2CCN(Cc3ccccn3)CC2)c2ccco2)cc1 ZINC000571802744 823236224 /nfs/dbraw/zinc/23/62/24/823236224.db2.gz HDAOYOJTRLXSHT-QHCPKHFHSA-N 1 0 377.488 4.027 20 0 GIADRO CCOc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)cc1OC ZINC000459647019 823237835 /nfs/dbraw/zinc/23/78/35/823237835.db2.gz JMGZMMNYBNOUQG-SFHVURJKSA-N 1 0 387.442 4.275 20 0 GIADRO FC(F)(F)[C@@H]1CC[N@H+](CCCc2ccc3c(c2)CCO3)CC12CCOCC2 ZINC000459642919 823236465 /nfs/dbraw/zinc/23/64/65/823236465.db2.gz CCZZBNCRSSJIQI-LJQANCHMSA-N 1 0 383.454 4.235 20 0 GIADRO Cc1cnc([C@@H](C)NC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)s1 ZINC000176556997 823236701 /nfs/dbraw/zinc/23/67/01/823236701.db2.gz IXFMFCWFTFHKBC-QGZVFWFLSA-N 1 0 394.544 4.193 20 0 GIADRO C[C@H](CCCc1cccnc1)[NH2+][C@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000459644629 823236789 /nfs/dbraw/zinc/23/67/89/823236789.db2.gz FNJXVSYICPOHRF-QZTJIDSGSA-N 1 0 387.955 4.473 20 0 GIADRO Cc1c(O)ccc2c(C[N@H+](C)Cc3ccc(OC(F)F)cc3)cc(=O)oc12 ZINC000057024666 823240638 /nfs/dbraw/zinc/24/06/38/823240638.db2.gz LEKWWKKXHJPSAN-UHFFFAOYSA-N 1 0 375.371 4.040 20 0 GIADRO Fc1cc(F)cc(C[N@@H+]2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)c1 ZINC000121742628 823241001 /nfs/dbraw/zinc/24/10/01/823241001.db2.gz ZSYWUOHIMIGESL-CYBMUJFWSA-N 1 0 396.363 4.406 20 0 GIADRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(N3CCOC3=O)cc1)CCCS2 ZINC000188447313 823242150 /nfs/dbraw/zinc/24/21/50/823242150.db2.gz UPHGSFRUPWVVDK-IBGZPJMESA-N 1 0 384.501 4.369 20 0 GIADRO OC[C@]1(Cc2ccc(F)cc2)CC[N@H+](CCOc2cccc3ccccc32)C1 ZINC000571837134 823242267 /nfs/dbraw/zinc/24/22/67/823242267.db2.gz BDZNVFIAALABRY-DEOSSOPVSA-N 1 0 379.475 4.285 20 0 GIADRO Cc1ccc(-c2nc(C)c(C(=O)N(CC(C)C)C3CC[NH+](C)CC3)s2)o1 ZINC000056986489 823237889 /nfs/dbraw/zinc/23/78/89/823237889.db2.gz PFVXRBWZCLLPKV-UHFFFAOYSA-N 1 0 375.538 4.212 20 0 GIADRO CCc1ccc(C[NH+]2CCC(O)(Cc3ccc(OC(F)(F)F)cc3)CC2)o1 ZINC000571842935 823243677 /nfs/dbraw/zinc/24/36/77/823243677.db2.gz YYPSKUNUHRWHNE-UHFFFAOYSA-N 1 0 383.410 4.310 20 0 GIADRO COCc1nc(CN[C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cs1 ZINC000571845083 823244424 /nfs/dbraw/zinc/24/44/24/823244424.db2.gz UGWCLROFYUBZDD-HMXCVIKNSA-N 1 0 385.577 4.070 20 0 GIADRO C[C@@H](NC(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1cccc(N2CCCC2)c1 ZINC000176606262 823246929 /nfs/dbraw/zinc/24/69/29/823246929.db2.gz CNGWKFHMSFNMAP-LJQANCHMSA-N 1 0 384.568 4.008 20 0 GIADRO C[C@@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)c1ccc(-c2cccnc2)cc1 ZINC000176607549 823247225 /nfs/dbraw/zinc/24/72/25/823247225.db2.gz MLEJJKTUCDPMOL-XMSQKQJNSA-N 1 0 378.520 4.079 20 0 GIADRO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3c(O)ccc4ccccc43)C2)n1 ZINC000057088448 823248456 /nfs/dbraw/zinc/24/84/56/823248456.db2.gz YMIHOBUBYFJSKB-GOSISDBHSA-N 1 0 375.472 4.100 20 0 GIADRO CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000571880095 823249110 /nfs/dbraw/zinc/24/91/10/823249110.db2.gz ODZCPGJZXCVHQG-KRWDZBQOSA-N 1 0 382.470 4.265 20 0 GIADRO CC[C@H](C)[NH2+][C@H](CNC(=O)Nc1ccc(OC)c(SC)c1)c1ccco1 ZINC000459690397 823251195 /nfs/dbraw/zinc/25/11/95/823251195.db2.gz XXSPBOHRSRMOES-DZGCQCFKSA-N 1 0 377.510 4.261 20 0 GIADRO OCC1([NH2+]Cc2cccc(OCc3ccccc3Cl)c2)CCSCC1 ZINC000459689717 823251241 /nfs/dbraw/zinc/25/12/41/823251241.db2.gz GCCJOGLPCPATAV-UHFFFAOYSA-N 1 0 377.937 4.267 20 0 GIADRO CCOC[C@@H]1CCCCN1Cc1nnc(-c2c(C)onc2-c2ccccc2)o1 ZINC000459693972 823252130 /nfs/dbraw/zinc/25/21/30/823252130.db2.gz IGJWULJKZNIPMQ-KRWDZBQOSA-N 1 0 382.464 4.091 20 0 GIADRO O=C(c1cncc(-c2ccc(Cl)cc2)c1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000176634519 823254127 /nfs/dbraw/zinc/25/41/27/823254127.db2.gz NSZBYOOFSRWMGR-UHFFFAOYSA-N 1 0 383.923 4.493 20 0 GIADRO CC(C)Cn1c(-c2ccccc2F)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000571942588 823257903 /nfs/dbraw/zinc/25/79/03/823257903.db2.gz HOKLIWQBPHEJLD-SFHVURJKSA-N 1 0 385.531 4.052 20 0 GIADRO CC1(C)Oc2ccsc2[C@@H]([NH2+]Cc2ccc(OC(F)F)c(Cl)c2)[C@@H]1O ZINC000459712728 823255253 /nfs/dbraw/zinc/25/52/53/823255253.db2.gz SZSCNFTUXQZCHS-HIFRSBDPSA-N 1 0 389.851 4.366 20 0 GIADRO COC(=O)c1cc(C[NH2+][C@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)c(C)s1 ZINC000571928283 823255632 /nfs/dbraw/zinc/25/56/32/823255632.db2.gz AGHAATWPBVKHCN-FUHWJXTLSA-N 1 0 378.925 4.032 20 0 GIADRO CC[NH+](CC)CCOc1ccc(NS(=O)(=O)c2ccc(C(F)F)cc2)cc1 ZINC000571928627 823255738 /nfs/dbraw/zinc/25/57/38/823255738.db2.gz HSKSXJQTQXUZOQ-UHFFFAOYSA-N 1 0 398.475 4.146 20 0 GIADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)Nc1ccc(COCc2ccccc2)cc1 ZINC000176645627 823256552 /nfs/dbraw/zinc/25/65/52/823256552.db2.gz KVIDTINJEVBWOF-HSZRJFAPSA-N 1 0 396.531 4.135 20 0 GIADRO COCCOc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1 ZINC000121815963 823256831 /nfs/dbraw/zinc/25/68/31/823256831.db2.gz MSLOWBGQDSBZLM-SJORKVTESA-N 1 0 382.504 4.472 20 0 GIADRO Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000057167741 823258131 /nfs/dbraw/zinc/25/81/31/823258131.db2.gz PBPWAWZFEIZJTJ-LJQANCHMSA-N 1 0 395.547 4.062 20 0 GIADRO Cc1cccc2nc(C3CCN(C(=O)c4ccc(C[NH+](C)C)cc4)CC3)oc21 ZINC000188528682 823257419 /nfs/dbraw/zinc/25/74/19/823257419.db2.gz HVUPYQTVHKTZNQ-UHFFFAOYSA-N 1 0 377.488 4.218 20 0 GIADRO Cc1nccc(-c2cccc(NC(=O)[C@@H]3CCC[N@H+](Cc4ccccc4)C3)c2)n1 ZINC000057169311 823258259 /nfs/dbraw/zinc/25/82/59/823258259.db2.gz JQRLLGMONJCTHF-OAQYLSRUSA-N 1 0 386.499 4.303 20 0 GIADRO O=C([C@H]1CCC[N@@H+]1Cc1ccccc1)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000057169340 823258381 /nfs/dbraw/zinc/25/83/81/823258381.db2.gz YVFXFOQYINUWBV-PZJWPPBQSA-N 1 0 389.499 4.198 20 0 GIADRO O=C(NCc1csc(Br)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000057170790 823258746 /nfs/dbraw/zinc/25/87/46/823258746.db2.gz KDJIEUGMGTZUOW-UHFFFAOYSA-N 1 0 393.350 4.039 20 0 GIADRO C[C@H](CCc1cccc(F)c1)[NH2+][C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000459774098 823263243 /nfs/dbraw/zinc/26/32/43/823263243.db2.gz WAFBSHOSUMAHAC-ZNOIYHFQSA-N 1 0 393.300 4.424 20 0 GIADRO C[C@@H](CCc1ccccc1F)[NH2+][C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000459751887 823260653 /nfs/dbraw/zinc/26/06/53/823260653.db2.gz BQKYPXPDONHBCW-BKTGTZMESA-N 1 0 393.300 4.424 20 0 GIADRO C[C@@H](c1cccc(O)c1)N(C)C(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000121842857 823261375 /nfs/dbraw/zinc/26/13/75/823261375.db2.gz UBEFKHRJQLXYEE-QRVBRYPASA-N 1 0 395.547 4.251 20 0 GIADRO Fc1cccc2[nH]c(C[NH2+][C@@H]3CCO[C@H]3c3cncc(Br)c3)cc21 ZINC000459768196 823262390 /nfs/dbraw/zinc/26/23/90/823262390.db2.gz QPRYCQJLHWPCSZ-MSOLQXFVSA-N 1 0 390.256 4.084 20 0 GIADRO CSC1(CNC(=O)N[C@H](C)c2cc(Cl)ccc2Cl)CC[NH+](C)CC1 ZINC000571968113 823262501 /nfs/dbraw/zinc/26/25/01/823262501.db2.gz VJVIONIVSWZGGZ-GFCCVEGCSA-N 1 0 390.380 4.181 20 0 GIADRO CO[C@@H]1C[C@@H]([NH2+][C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C12CCC2 ZINC000459770547 823262513 /nfs/dbraw/zinc/26/25/13/823262513.db2.gz RKQHNHLLQCJJMR-COLVAYQJSA-N 1 0 390.833 4.233 20 0 GIADRO CCCc1occc1C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000409616255 823262631 /nfs/dbraw/zinc/26/26/31/823262631.db2.gz DGVJUBKWQMYBJQ-UHFFFAOYSA-N 1 0 383.492 4.299 20 0 GIADRO C[C@H]1CCN(C(=O)NC[C@H]2CCCC(F)(F)C2)CC[N@@H+]1Cc1ccccc1 ZINC000409616000 823262664 /nfs/dbraw/zinc/26/26/64/823262664.db2.gz BTIIPGUXFSRXOB-HKUYNNGSSA-N 1 0 379.495 4.118 20 0 GIADRO O[C@@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C[C@H]1C1CCCC1 ZINC000459776716 823263768 /nfs/dbraw/zinc/26/37/68/823263768.db2.gz XOWXYIZJICOPOC-DOTOQJQBSA-N 1 0 375.406 4.140 20 0 GIADRO CC1(C)C[C@@H]([NH2+][C@H]2CCCc3c2cnn3-c2ncccn2)c2ccc(F)cc2O1 ZINC000571975170 823264146 /nfs/dbraw/zinc/26/41/46/823264146.db2.gz GMYUUOANNGHAKG-ZWKOTPCHSA-N 1 0 393.466 4.071 20 0 GIADRO O=C(C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)N1N=C(c2cccs2)C[C@H]1c1cccs1 ZINC000459782242 823264435 /nfs/dbraw/zinc/26/44/35/823264435.db2.gz OQDJAJYMVHCIMB-AESZEHBQSA-N 1 0 385.558 4.266 20 0 GIADRO CC(C)OCC[NH+]1CCC(NC(=O)c2ccc(-c3ccc(F)cc3)s2)CC1 ZINC000176675568 823264744 /nfs/dbraw/zinc/26/47/44/823264744.db2.gz YPPVMHUCXWFOPY-UHFFFAOYSA-N 1 0 390.524 4.173 20 0 GIADRO CCC[C@@H]([NH2+]Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1)C1CCC1 ZINC000459786086 823264844 /nfs/dbraw/zinc/26/48/44/823264844.db2.gz CWDOBQASUUGWFR-GOSISDBHSA-N 1 0 378.563 4.272 20 0 GIADRO COC(=O)c1cccc(C[NH+]2CCC(c3ccccc3C(F)(F)F)CC2)n1 ZINC000571984840 823265556 /nfs/dbraw/zinc/26/55/56/823265556.db2.gz VKJDONVLGMGZCY-UHFFFAOYSA-N 1 0 378.394 4.267 20 0 GIADRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)NC[C@H]1CCCC(F)(F)C1 ZINC000409626663 823265572 /nfs/dbraw/zinc/26/55/72/823265572.db2.gz JKSPJDOYBYYNPI-JKSUJKDBSA-N 1 0 385.524 4.085 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C1(c2ccc(F)cc2)CCOCC1 ZINC000057215905 823265661 /nfs/dbraw/zinc/26/56/61/823265661.db2.gz KIVRNPKCQGTYKO-UHFFFAOYSA-N 1 0 398.522 4.031 20 0 GIADRO CC(C)C[C@H](Cc1cccc(Br)c1)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000176690759 823269042 /nfs/dbraw/zinc/26/90/42/823269042.db2.gz ZJBJWLZAQQAFRL-QZTJIDSGSA-N 1 0 395.385 4.064 20 0 GIADRO CCC[C@H]([NH2+]CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1)C1CCC1 ZINC000459807395 823266189 /nfs/dbraw/zinc/26/61/89/823266189.db2.gz RCYUBLSYDWPPBE-SFHVURJKSA-N 1 0 385.533 4.497 20 0 GIADRO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+](C)C[C@H](C)C(=O)OC(C)(C)C ZINC000459807638 823266538 /nfs/dbraw/zinc/26/65/38/823266538.db2.gz NUDWVXWMTREGMQ-IRXDYDNUSA-N 1 0 376.541 4.355 20 0 GIADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1cccc(-c2noc(C3CC3)n2)c1 ZINC000176684327 823267191 /nfs/dbraw/zinc/26/71/91/823267191.db2.gz WHEPGAIRQLZSDO-GOSISDBHSA-N 1 0 383.496 4.000 20 0 GIADRO CN(C(=O)C[N@@H+]1CC[C@@H](c2cccnc2)C1)C(c1ccccc1)c1ccccc1 ZINC000571998028 823267553 /nfs/dbraw/zinc/26/75/53/823267553.db2.gz LUYMTMNWOIWZEC-HSZRJFAPSA-N 1 0 385.511 4.119 20 0 GIADRO Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000571998325 823267584 /nfs/dbraw/zinc/26/75/84/823267584.db2.gz SKSUBVZMAAHTDQ-UHFFFAOYSA-N 1 0 394.302 4.173 20 0 GIADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3csc(-c4cccc(C(F)(F)F)c4)n3)C[C@H]21 ZINC000571999345 823267600 /nfs/dbraw/zinc/26/76/00/823267600.db2.gz ADTIKWOPAHFWNB-NWANDNLSSA-N 1 0 395.450 4.028 20 0 GIADRO CC(C)(C)c1ncsc1C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000176687463 823267981 /nfs/dbraw/zinc/26/79/81/823267981.db2.gz GVGRRGHYBHOHGC-CQSZACIVSA-N 1 0 377.579 4.144 20 0 GIADRO Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000176686659 823268100 /nfs/dbraw/zinc/26/81/00/823268100.db2.gz NKWRQXQAEIERPB-LJQANCHMSA-N 1 0 389.584 4.071 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H](c1cccc(Cl)c1)N(C)C ZINC000409635038 823268517 /nfs/dbraw/zinc/26/85/17/823268517.db2.gz IATUPVOJALPXTM-NRFANRHFSA-N 1 0 387.955 4.101 20 0 GIADRO C[C@H](Oc1ccccc1NC(=O)NCC1(C[NH+](C)C)CCCC1)C(F)(F)F ZINC000572022058 823270301 /nfs/dbraw/zinc/27/03/01/823270301.db2.gz JFPMELPZPMEZDG-AWEZNQCLSA-N 1 0 387.446 4.260 20 0 GIADRO C[C@H]1CCC[C@@H]([NH+]2CCC(Nc3ccc(Cc4nnc5n4CCC5)cc3)CC2)C1 ZINC000188603874 823270953 /nfs/dbraw/zinc/27/09/53/823270953.db2.gz MHTNWQCAONRINF-PGRDOPGGSA-N 1 0 393.579 4.270 20 0 GIADRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)c2cc(C3CC3)nc3ccc(F)cc32)CC1 ZINC000572035965 823272416 /nfs/dbraw/zinc/27/24/16/823272416.db2.gz AFSYIYOYTSAUGL-OAQYLSRUSA-N 1 0 381.495 4.102 20 0 GIADRO CC[NH+]1C[C@@H](C)N(C(=O)c2ccc3c(c2)nc(C)n3Cc2ccsc2)[C@H](C)C1 ZINC000572038867 823272508 /nfs/dbraw/zinc/27/25/08/823272508.db2.gz BLGHHFYIJZHAIB-HZPDHXFCSA-N 1 0 396.560 4.009 20 0 GIADRO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N(Cc1ccco1)Cc1ccco1 ZINC000121898173 823272582 /nfs/dbraw/zinc/27/25/82/823272582.db2.gz WQIYMGQYAHFIQL-HXUWFJFHSA-N 1 0 393.487 4.249 20 0 GIADRO Cc1ccccc1OC[C@@H](O)C[NH2+][C@@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000572039407 823272667 /nfs/dbraw/zinc/27/26/67/823272667.db2.gz QOODWHMYOJBBGD-ICSRJNTNSA-N 1 0 378.472 4.273 20 0 GIADRO Cc1cc(F)c(Br)cc1NC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000190873960 823618490 /nfs/dbraw/zinc/61/84/90/823618490.db2.gz LAWWJGKEIXCTGI-UHFFFAOYSA-N 1 0 386.309 4.139 20 0 GIADRO Cc1c(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)cccc1-c1ccccn1 ZINC000121905088 823274016 /nfs/dbraw/zinc/27/40/16/823274016.db2.gz GHGIGMGZWUSUHI-JOCHJYFZSA-N 1 0 377.463 4.229 20 0 GIADRO COc1c(Cl)cccc1NC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000572082183 823280263 /nfs/dbraw/zinc/28/02/63/823280263.db2.gz YTWGQOXYWJCLAW-QZTJIDSGSA-N 1 0 399.922 4.334 20 0 GIADRO CC(C)c1cccc2c1OCCC[C@H]2[NH2+]Cc1ccc(N2CCO[C@H](C)C2)nc1 ZINC000121929616 823278963 /nfs/dbraw/zinc/27/89/63/823278963.db2.gz HLQFONSWWUHYIU-XMSQKQJNSA-N 1 0 395.547 4.434 20 0 GIADRO CC(C)c1ncc(CN(C)Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)cn1 ZINC000572079664 823279400 /nfs/dbraw/zinc/27/94/00/823279400.db2.gz KWGKHAAYZVLDRO-UHFFFAOYSA-N 1 0 389.425 4.437 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)N1CCC[C@H]1c1cccc(Cl)c1 ZINC000121934299 823279837 /nfs/dbraw/zinc/27/98/37/823279837.db2.gz CAIIPCDDGHBWDL-NRFANRHFSA-N 1 0 398.938 4.246 20 0 GIADRO C[C@H]([NH2+]C[C@]1(O)CCC[C@H](C(F)(F)F)C1)c1nc2ccc(Cl)cc2n1C ZINC000188622948 823275081 /nfs/dbraw/zinc/27/50/81/823275081.db2.gz IPHBQYHNZJIOKZ-PRXAMGSTSA-N 1 0 389.849 4.361 20 0 GIADRO Cc1ccc(C[C@H]([NH2+][C@H](C)c2ccc(-n3cnnn3)cc2)c2ccccn2)cc1 ZINC000121911717 823275674 /nfs/dbraw/zinc/27/56/74/823275674.db2.gz YQQKLKLALZNKCL-JPYJTQIMSA-N 1 0 384.487 4.000 20 0 GIADRO COc1ccc([C@@H](CNC(=O)c2c(F)cccc2Cl)[NH+]2CCCC2)cc1 ZINC000121916904 823276596 /nfs/dbraw/zinc/27/65/96/823276596.db2.gz BVFKDNCOGKTPJQ-GOSISDBHSA-N 1 0 376.859 4.055 20 0 GIADRO CCOc1ccc(NC(=S)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)cc1 ZINC000006335992 817678056 /nfs/dbraw/zinc/67/80/56/817678056.db2.gz KNSAHWQCBMYVNT-NRFANRHFSA-N 1 0 399.560 4.217 20 0 GIADRO CSC1(CNC(=O)N2CCC(c3cccc(Cl)c3)CC2)CC[NH+](C)CC1 ZINC000572086575 823281168 /nfs/dbraw/zinc/28/11/68/823281168.db2.gz FWEIHLGOSPUDFM-UHFFFAOYSA-N 1 0 396.000 4.056 20 0 GIADRO O=C(CCCC1CCOCC1)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000409680204 823281368 /nfs/dbraw/zinc/28/13/68/823281368.db2.gz VHFWCZPTJPRLGF-OAQYLSRUSA-N 1 0 392.971 4.408 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)N1CC2(CCC2)[C@H]1C1CC1)[NH+]1CCCCC1 ZINC000460107929 823285972 /nfs/dbraw/zinc/28/59/72/823285972.db2.gz MHDSZVHPTJKZEX-RBBKRZOGSA-N 1 0 397.563 4.196 20 0 GIADRO Cc1ccc(-n2cc(C(=O)NCc3ccc4c(c3)C[NH2+]C4)c(C(C)(C)C)n2)cc1 ZINC000188682011 823285437 /nfs/dbraw/zinc/28/54/37/823285437.db2.gz MHTNUQRUOYDKLO-UHFFFAOYSA-N 1 0 388.515 4.011 20 0 GIADRO C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188662188 823282078 /nfs/dbraw/zinc/28/20/78/823282078.db2.gz XWDBCJJYVISZBV-NSHDSACASA-N 1 0 381.328 4.394 20 0 GIADRO O=C1CC2(CN1C[NH2+]C1(c3ccc(Cl)cc3)CCCCC1)CCOCC2 ZINC000176745795 823283427 /nfs/dbraw/zinc/28/34/27/823283427.db2.gz NWPUFXAOMPTSRG-UHFFFAOYSA-N 1 0 376.928 4.076 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)c2ccc(OC)c(-c3ccccn3)c2)c1 ZINC000121950780 823283761 /nfs/dbraw/zinc/28/37/61/823283761.db2.gz ADJGPMOWUDVDDR-UHFFFAOYSA-N 1 0 389.499 4.139 20 0 GIADRO 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 823284593 /nfs/dbraw/zinc/28/45/93/823284593.db2.gz DNUAOCFLRIKDMJ-OAGGEKHMSA-N 1 0 377.495 4.259 20 0 GIADRO CC[N@@H+]1CC[C@H](CNC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000409701326 823285919 /nfs/dbraw/zinc/28/59/19/823285919.db2.gz YWUCXYXKASWMHT-SNVBAGLBSA-N 1 0 383.336 4.188 20 0 GIADRO CC(C)Cn1cc(NC(=O)c2ccc3c(ccn3CCC[NH3+])c2)c(C(F)F)n1 ZINC000572119167 823285933 /nfs/dbraw/zinc/28/59/33/823285933.db2.gz NSLYHYNXYVDZMN-UHFFFAOYSA-N 1 0 389.450 4.033 20 0 GIADRO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000460132115 823291310 /nfs/dbraw/zinc/29/13/10/823291310.db2.gz JLLTUYOYRPMCBL-YJBOKZPZSA-N 1 0 380.454 4.212 20 0 GIADRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(C)(C)Cc2nc3ccccc3[nH]2)C1 ZINC000409704499 823286560 /nfs/dbraw/zinc/28/65/60/823286560.db2.gz YNPQNZIUNVBXCK-RBUKOAKNSA-N 1 0 396.579 4.245 20 0 GIADRO COc1ccccc1[C@@H](C[NH2+]Cc1cc(Cl)ccc1OC(F)F)N(C)C ZINC000409723458 823291299 /nfs/dbraw/zinc/29/12/99/823291299.db2.gz SMGZNXMINQBHDI-MRXNPFEDSA-N 1 0 384.854 4.343 20 0 GIADRO O=C(NCC[C@@H]1CCC[NH2+]C1)Nc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000572129717 823287432 /nfs/dbraw/zinc/28/74/32/823287432.db2.gz CVOSPKWTTPOMGJ-KRWDZBQOSA-N 1 0 394.544 4.398 20 0 GIADRO CN(C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000460117015 823287858 /nfs/dbraw/zinc/28/78/58/823287858.db2.gz KWUKQVDLZIXIET-UAGQMJEPSA-N 1 0 389.437 4.191 20 0 GIADRO CC(C)C[C@H](NC(=O)NC1CC[NH+](Cc2ccncc2)CC1)c1cccs1 ZINC000057393002 823288959 /nfs/dbraw/zinc/28/89/59/823288959.db2.gz CVHSRAIKMITGKB-IBGZPJMESA-N 1 0 386.565 4.194 20 0 GIADRO Cc1ccncc1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000460126939 823289935 /nfs/dbraw/zinc/28/99/35/823289935.db2.gz JJDKDVINZLMIFJ-QFBILLFUSA-N 1 0 391.437 4.222 20 0 GIADRO CO[C@H]1CCN(Cc2ccc(-c3cccc(Br)c3)s2)[C@@H](C[NH3+])C1 ZINC000572158478 823291727 /nfs/dbraw/zinc/29/17/27/823291727.db2.gz TZNDGHPZHQZMHJ-CVEARBPZSA-N 1 0 395.366 4.116 20 0 GIADRO C[NH+](C)[C@@H](CNC(=S)Nc1ccc(OC(F)(F)F)cc1)Cc1ccccc1 ZINC000007368861 817825647 /nfs/dbraw/zinc/82/56/47/817825647.db2.gz OMNBWSOJEGSCKO-MRXNPFEDSA-N 1 0 397.466 4.045 20 0 GIADRO C[NH+](C)CCN(Cc1ccccc1)C(=S)Nc1ccc(OC(F)(F)F)cc1 ZINC000007369195 817825672 /nfs/dbraw/zinc/82/56/72/817825672.db2.gz RDPOSGRSETYANG-UHFFFAOYSA-N 1 0 397.466 4.346 20 0 GIADRO Cn1c2c(cccc2F)nc1N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000409722290 823290956 /nfs/dbraw/zinc/29/09/56/823290956.db2.gz NYTVSDSZHYWSDB-UHFFFAOYSA-N 1 0 378.495 4.205 20 0 GIADRO COc1cncc(/C=C\CC[NH2+][C@H](C)c2cnn(-c3ccc(F)cc3)c2C)c1 ZINC000572152548 823291099 /nfs/dbraw/zinc/29/10/99/823291099.db2.gz WKUWYIVVLRPXRJ-DQOPKJQZSA-N 1 0 380.467 4.478 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=S)NCCSc2ccccc2)cc1 ZINC000007403987 817831782 /nfs/dbraw/zinc/83/17/82/817831782.db2.gz JQFGYLWKFKKECE-UHFFFAOYSA-N 1 0 387.618 4.285 20 0 GIADRO COc1cccc([C@H](CNC(=O)Nc2cccc(C(F)(F)F)c2)[NH+](C)C)c1 ZINC000057407019 823292068 /nfs/dbraw/zinc/29/20/68/823292068.db2.gz SSEDCPQEAPMRIK-KRWDZBQOSA-N 1 0 381.398 4.138 20 0 GIADRO CCN(C(=O)Nc1cccc(OCCF)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000460136193 823293040 /nfs/dbraw/zinc/29/30/40/823293040.db2.gz XKVPNTWVVXLBDG-HXUWFJFHSA-N 1 0 385.483 4.163 20 0 GIADRO CC[NH+]1CCC(Nc2nc(-c3cccnc3)nc3sc4c(c32)CCC4)CC1 ZINC000007467433 817848665 /nfs/dbraw/zinc/84/86/65/817848665.db2.gz GFZSDLJVDWBRRT-UHFFFAOYSA-N 1 0 379.533 4.138 20 0 GIADRO CC[NH+]1CCC(NC(=O)N2CC[C@@H](C)[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000122014106 823293333 /nfs/dbraw/zinc/29/33/33/823293333.db2.gz VGWNMPSSNWJLET-KDOFPFPSSA-N 1 0 383.458 4.282 20 0 GIADRO COc1ccccc1[C@H](C[NH2+]Cc1ccc(Br)cc1)N1CCCC1 ZINC000409732627 823293882 /nfs/dbraw/zinc/29/38/82/823293882.db2.gz FEAMNCNRAYEXQX-IBGZPJMESA-N 1 0 389.337 4.384 20 0 GIADRO Clc1ccc2c(ccn2CC[NH+]2CCC(c3nnc4ccccn43)CC2)c1 ZINC000572169236 823294028 /nfs/dbraw/zinc/29/40/28/823294028.db2.gz HBVXNVUXRNEEOO-UHFFFAOYSA-N 1 0 379.895 4.217 20 0 GIADRO CCc1ccc(NC(=S)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)cc1 ZINC000007583792 817874446 /nfs/dbraw/zinc/87/44/46/817874446.db2.gz AUXQPMAAYOLPQL-NRFANRHFSA-N 1 0 383.561 4.381 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)ccc1OCCO ZINC000122026420 823295422 /nfs/dbraw/zinc/29/54/22/823295422.db2.gz RHBBUIDYYWWDDW-HRAATJIYSA-N 1 0 397.515 4.120 20 0 GIADRO C[C@@H]([NH2+][C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)c1cccc(CO)c1 ZINC000122025702 823295431 /nfs/dbraw/zinc/29/54/31/823295431.db2.gz WAPCUBJYPWUUHD-HXOBKFHXSA-N 1 0 395.524 4.023 20 0 GIADRO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(F)cc1C(F)(F)F ZINC000122025816 823295477 /nfs/dbraw/zinc/29/54/77/823295477.db2.gz NJJNMBRTJALVTQ-MRXNPFEDSA-N 1 0 394.412 4.139 20 0 GIADRO CN(C)[C@H](c1nc(-c2ccc(F)c(C[NH+](C)C)c2)no1)c1ccc(Cl)cc1 ZINC000572179493 823295671 /nfs/dbraw/zinc/29/56/71/823295671.db2.gz XEOFQMHAGLMAGN-SFHVURJKSA-N 1 0 388.874 4.242 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)N[C@@H]1CCc2sc(Cl)cc21)c1ccco1 ZINC000460144150 823296038 /nfs/dbraw/zinc/29/60/38/823296038.db2.gz TUSQJFSJYXTITN-KGLIPLIRSA-N 1 0 381.929 4.364 20 0 GIADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1cccc(Br)c1 ZINC000007686974 817895170 /nfs/dbraw/zinc/89/51/70/817895170.db2.gz XTYRSIQDONWXHJ-HNNXBMFYSA-N 1 0 379.323 4.078 20 0 GIADRO O=C(CCCOc1ccc(Cl)cc1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000409744314 823297308 /nfs/dbraw/zinc/29/73/08/823297308.db2.gz VLGJVFKJCOFUIU-GOSISDBHSA-N 1 0 376.884 4.045 20 0 GIADRO CC(C)c1ccc([C@H]([NH2+]CC(=O)Nc2ccc(C(=O)N(C)C)cc2)C(C)C)cc1 ZINC000007804292 817920627 /nfs/dbraw/zinc/92/06/27/817920627.db2.gz ATPPHXPMZYXEPC-HSZRJFAPSA-N 1 0 395.547 4.437 20 0 GIADRO CCOC1CC(CC[NH2+]Cc2cn(-c3ccc(Br)cc3)nc2C)C1 ZINC000188773285 823302082 /nfs/dbraw/zinc/30/20/82/823302082.db2.gz WJVFYTGAJHBFMN-UHFFFAOYSA-N 1 0 392.341 4.238 20 0 GIADRO C[NH+]1CCC(C(=O)Nc2nc3ccccc3n2Cc2ccc(Cl)cc2)CC1 ZINC000572198894 823298452 /nfs/dbraw/zinc/29/84/52/823298452.db2.gz LQTAJOUNQFAPPF-UHFFFAOYSA-N 1 0 382.895 4.018 20 0 GIADRO CCN(c1ccc(C(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)cc1)C(C)C ZINC000122053157 823299087 /nfs/dbraw/zinc/29/90/87/823299087.db2.gz YFNOJZGEPNAGAO-UHFFFAOYSA-N 1 0 383.536 4.251 20 0 GIADRO CCN(CC)C(=O)c1cccc(NC(=O)C[NH2+][C@H](c2ccc(F)cc2)C(C)C)c1 ZINC000008004082 817979262 /nfs/dbraw/zinc/97/92/62/817979262.db2.gz BJGQNTYHKXUQDG-QFIPXVFZSA-N 1 0 399.510 4.233 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccc(F)cc1Br ZINC000008012577 817982720 /nfs/dbraw/zinc/98/27/20/817982720.db2.gz DXONQYHGSBGBSR-UHFFFAOYSA-N 1 0 391.284 4.114 20 0 GIADRO Cc1ccc(NC(=O)C2CC2)cc1NC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000057543267 823308533 /nfs/dbraw/zinc/30/85/33/823308533.db2.gz YSIVAMSFMXIIBG-UHFFFAOYSA-N 1 0 386.540 4.120 20 0 GIADRO CCOc1ccc(OC)cc1NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000122090714 823304852 /nfs/dbraw/zinc/30/48/52/823304852.db2.gz VIQHJLIWORWGQV-UHFFFAOYSA-N 1 0 389.540 4.214 20 0 GIADRO COc1cnccc1[C@@H](C)[NH2+][C@H](C)c1ccc(I)cc1 ZINC000188790966 823306475 /nfs/dbraw/zinc/30/64/75/823306475.db2.gz KWUOXRQNKYGSQD-VXGBXAGGSA-N 1 0 382.245 4.107 20 0 GIADRO CCC(C)(C)NC(=O)c1ccc(NC(=O)[C@@H](CC(C)(C)C)[NH2+]C)cc1Cl ZINC000572243744 823306678 /nfs/dbraw/zinc/30/66/78/823306678.db2.gz IKOWKRIJGUFPDS-MRXNPFEDSA-N 1 0 381.948 4.221 20 0 GIADRO CC(C)n1c2ccc(C(=O)Nc3ccc4c(c3)C[NH2+]C4)cc2nc1C(F)(F)F ZINC000572241732 823306854 /nfs/dbraw/zinc/30/68/54/823306854.db2.gz BRYKNLVXXOJEBD-UHFFFAOYSA-N 1 0 388.393 4.492 20 0 GIADRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)c1cc(Cl)ncc1Cl ZINC000188795283 823307342 /nfs/dbraw/zinc/30/73/42/823307342.db2.gz KUJLVRJIFONRPA-UHFFFAOYSA-N 1 0 378.303 4.030 20 0 GIADRO C[C@@H](CCNC(=O)C(C)(C)Cc1nc2ccccc2[nH]1)[N@H+](C)Cc1ccccc1 ZINC000409787062 823307484 /nfs/dbraw/zinc/30/74/84/823307484.db2.gz UGFHTAKIMFFNOF-SFHVURJKSA-N 1 0 392.547 4.158 20 0 GIADRO O=C(c1cc2ccccc2n1Cc1ccccc1F)N1CCC2(CC[NH2+]C2)CC1 ZINC000572252793 823308273 /nfs/dbraw/zinc/30/82/73/823308273.db2.gz UZZUTAPCVFXPEK-UHFFFAOYSA-N 1 0 391.490 4.044 20 0 GIADRO CCn1c(-c2cc(C)nc3ccccc32)nnc1N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000460182922 823308310 /nfs/dbraw/zinc/30/83/10/823308310.db2.gz HXEGYKQZQOWSCM-MSOLQXFVSA-N 1 0 392.551 4.131 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(-c3ccc(OC)cc3)cc2F)[C@H](C)C1 ZINC000122116517 823308421 /nfs/dbraw/zinc/30/84/21/823308421.db2.gz DESRQJRJPHELOV-OPAMFIHVSA-N 1 0 384.495 4.304 20 0 GIADRO Cc1cc(NC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c(C#N)cc1N(C)C ZINC000572261302 823309290 /nfs/dbraw/zinc/30/92/90/823309290.db2.gz SDENGSKBPGLQMT-MOPGFXCFSA-N 1 0 397.567 4.051 20 0 GIADRO COc1cc(CN(C)C(=O)C2CC[NH+](Cc3ccccc3)CC2)ccc1SC ZINC000057551500 823309475 /nfs/dbraw/zinc/30/94/75/823309475.db2.gz FQNVIGBACGRHQJ-UHFFFAOYSA-N 1 0 398.572 4.288 20 0 GIADRO C[C@H](NC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000572263121 823309559 /nfs/dbraw/zinc/30/95/59/823309559.db2.gz GKZDSURJTOKEAQ-GUYCJALGSA-N 1 0 399.457 4.066 20 0 GIADRO C[C@H](C(=O)NCC[N@H+](C)Cc1ccc(F)cc1)c1ccc(C(F)(F)F)cc1 ZINC000409796710 823309898 /nfs/dbraw/zinc/30/98/98/823309898.db2.gz SXKUFMUGJLWIIE-AWEZNQCLSA-N 1 0 382.401 4.196 20 0 GIADRO Cc1ccc(COc2ccc(C[NH+]3CCC(O[C@H]4CCOC4)CC3)cc2)cc1 ZINC000572266212 823310101 /nfs/dbraw/zinc/31/01/01/823310101.db2.gz CXKHRWUACAONEM-DEOSSOPVSA-N 1 0 381.516 4.344 20 0 GIADRO Cc1ccc(C(=O)NCC2([NH+](C)C)CCCCCC2)cc1NC(=O)c1ccco1 ZINC000057612912 823314826 /nfs/dbraw/zinc/31/48/26/823314826.db2.gz OWGUVLSUCBEYCA-UHFFFAOYSA-N 1 0 397.519 4.225 20 0 GIADRO CCn1c(-c2ccoc2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000460188742 823310505 /nfs/dbraw/zinc/31/05/05/823310505.db2.gz XIBJDOGSGOGPNJ-FXAWDEMLSA-N 1 0 379.508 4.047 20 0 GIADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000122129861 823310870 /nfs/dbraw/zinc/31/08/70/823310870.db2.gz HKHQWVHCMAZDGY-NHCUHLMSSA-N 1 0 397.519 4.196 20 0 GIADRO COc1ccc([C@@H](CNC(=O)NC23CC4CC(CC(C4)C2)C3)[NH+]2CCCC2)cc1 ZINC000057573506 823310892 /nfs/dbraw/zinc/31/08/92/823310892.db2.gz FAVDGCOWXVOVDV-SOSWSAFESA-N 1 0 397.563 4.100 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc(-c2ccccc2F)o1 ZINC000057575317 823311251 /nfs/dbraw/zinc/31/12/51/823311251.db2.gz DFZKQTJQIHDBAP-UHFFFAOYSA-N 1 0 393.462 4.398 20 0 GIADRO CCn1c(CSc2ccc(C)cc2)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000460190942 823311353 /nfs/dbraw/zinc/31/13/53/823311353.db2.gz HCTDQZVQNWVXJL-PKOBYXMFSA-N 1 0 387.597 4.065 20 0 GIADRO C[N@H+](Cc1nc(-c2cc(Cl)ccc2Cl)cs1)CC1(O)CCOCC1 ZINC000188832742 823314914 /nfs/dbraw/zinc/31/49/14/823314914.db2.gz OUCNKMFTVUXMLZ-UHFFFAOYSA-N 1 0 387.332 4.090 20 0 GIADRO C[N@H+](CCC(=O)c1ccc(F)cc1)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000122138109 823311674 /nfs/dbraw/zinc/31/16/74/823311674.db2.gz QRXLXVGHMVEPAD-UHFFFAOYSA-N 1 0 378.488 4.166 20 0 GIADRO CC(C)(C)OC1CC(CC[NH2+]C[C@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC000572275927 823311810 /nfs/dbraw/zinc/31/18/10/823311810.db2.gz LNJOHTWOHDHRHM-RWABYOLFSA-N 1 0 375.553 4.015 20 0 GIADRO C[C@H](C(=O)N(CC[NH+](C)C)Cc1cccs1)c1ccc(C(F)(F)F)cc1 ZINC000409803808 823311798 /nfs/dbraw/zinc/31/17/98/823311798.db2.gz DISJYXOIGCRCQK-AWEZNQCLSA-N 1 0 384.467 4.461 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)N[C@@H]1CCSc2ccc(F)cc21)c1cccs1 ZINC000011642118 818102693 /nfs/dbraw/zinc/10/26/93/818102693.db2.gz LHMWWHXMHXZMOF-HUUCEWRRSA-N 1 0 379.526 4.026 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)N[C@H]1CCSc2ccc(F)cc21)c1cccs1 ZINC000011642130 818102741 /nfs/dbraw/zinc/10/27/41/818102741.db2.gz LHMWWHXMHXZMOF-LSDHHAIUSA-N 1 0 379.526 4.026 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(OC(F)F)cc2)cc1 ZINC000011709962 818111514 /nfs/dbraw/zinc/11/15/14/818111514.db2.gz QRYYJLDWHXBDHR-ZIAGYGMSSA-N 1 0 378.419 4.365 20 0 GIADRO CCC[N@H+](CC)Cc1ccc(C(=O)Nc2cccc(C(=O)N3CCCC3)c2)cc1 ZINC000409811251 823313886 /nfs/dbraw/zinc/31/38/86/823313886.db2.gz KRDDZFQYGUXJQQ-UHFFFAOYSA-N 1 0 393.531 4.407 20 0 GIADRO C[C@@H]1CCCc2ccccc2[C@@H]1[NH2+][C@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000572291921 823314289 /nfs/dbraw/zinc/31/42/89/823314289.db2.gz ISNKCFLBFZDPCW-KBJGYGKASA-N 1 0 384.545 4.015 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)CCc2ccc(OC(F)F)cc2)C1 ZINC000122157777 823314567 /nfs/dbraw/zinc/31/45/67/823314567.db2.gz KAHCQAIWGCGEIK-CALCHBBNSA-N 1 0 382.495 4.095 20 0 GIADRO O=C(N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000188831544 823314595 /nfs/dbraw/zinc/31/45/95/823314595.db2.gz YMHIQMDAWZCCFM-KXBFYZLASA-N 1 0 392.465 4.212 20 0 GIADRO CN(Cc1ccco1)Cc1ccccc1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000460203414 823315673 /nfs/dbraw/zinc/31/56/73/823315673.db2.gz IXEQIRRCLUGBPF-UHFFFAOYSA-N 1 0 397.563 4.040 20 0 GIADRO CCn1c(-c2cccc3ccccc32)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000572305474 823317051 /nfs/dbraw/zinc/31/70/51/823317051.db2.gz MZJXUBHWPWRKND-LJQANCHMSA-N 1 0 389.547 4.430 20 0 GIADRO CSc1ccccc1[C@@H](C)[NH2+][C@H](C)C(=O)NCCc1c[nH]c2ccccc12 ZINC000409835043 823320526 /nfs/dbraw/zinc/32/05/26/823320526.db2.gz GQSZHPBOLCVZOL-HZPDHXFCSA-N 1 0 381.545 4.288 20 0 GIADRO Cc1cc2occ(CC(=O)NC3CC[NH+](Cc4ccccc4)CC3)c2cc1C ZINC000012606799 818169956 /nfs/dbraw/zinc/16/99/56/818169956.db2.gz LYSLFWDDTSZGGF-UHFFFAOYSA-N 1 0 376.500 4.373 20 0 GIADRO Cc1cc(Br)c(F)cc1NC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000188858607 823318081 /nfs/dbraw/zinc/31/80/81/823318081.db2.gz UGUPRHFMEZVAIR-CQSZACIVSA-N 1 0 398.320 4.236 20 0 GIADRO C[C@@H]1CN(C(=O)c2cc(-c3ccc(Cl)s3)on2)CC[N@@H+](C2CCC2)C1 ZINC000572312064 823318145 /nfs/dbraw/zinc/31/81/45/823318145.db2.gz WUCMBFHXQOZLNR-LBPRGKRZSA-N 1 0 379.913 4.003 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(Oc3ccncc3)c(Cl)c2)[C@H](C)C1 ZINC000122185256 823318390 /nfs/dbraw/zinc/31/83/90/823318390.db2.gz ABDIIALEOYXWAD-DNVCBOLYSA-N 1 0 387.911 4.330 20 0 GIADRO COc1ccccc1C[C@@H](C)CC(=O)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000409827547 823318630 /nfs/dbraw/zinc/31/86/30/823318630.db2.gz SJRVRETVHHAICC-WIYYLYMNSA-N 1 0 378.516 4.275 20 0 GIADRO O=C(C[NH+]1CCCCCC1)Nc1cccc(NC(=O)C2(C(F)F)CCCC2)c1 ZINC000572317847 823319314 /nfs/dbraw/zinc/31/93/14/823319314.db2.gz NYGWLDCHXHYTJL-UHFFFAOYSA-N 1 0 393.478 4.265 20 0 GIADRO CSc1cccc(N(C)C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)c1 ZINC000572321855 823319948 /nfs/dbraw/zinc/31/99/48/823319948.db2.gz XSPCPRDCRGAHIC-UHFFFAOYSA-N 1 0 384.549 4.137 20 0 GIADRO COc1ccc(C(=O)Nc2cccc(CN3C[C@@H]([NH+]4CCCC4)C[C@@H]3C)c2)cc1 ZINC000572352035 823326057 /nfs/dbraw/zinc/32/60/57/823326057.db2.gz PDJCAYUDGLEMPP-AVRDEDQJSA-N 1 0 393.531 4.006 20 0 GIADRO Cc1cccc(NC(=O)[C@H](C)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1C ZINC000572326532 823321218 /nfs/dbraw/zinc/32/12/18/823321218.db2.gz XUBZBKLAMIJRLW-ACIOBRDBSA-N 1 0 391.559 4.084 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccccc2COc2ccccc2)C1 ZINC000176906586 823321365 /nfs/dbraw/zinc/32/13/65/823321365.db2.gz BBZOTDRJJKLSDB-IBGZPJMESA-N 1 0 381.520 4.461 20 0 GIADRO COc1ccc(C[C@](C)(O)C[NH2+][C@@H]2CCC[C@H]2c2ccc(C)cc2)cc1OC ZINC000572327432 823321511 /nfs/dbraw/zinc/32/15/11/823321511.db2.gz IBVZCIPCMDUWOY-IMSXRSKXSA-N 1 0 383.532 4.232 20 0 GIADRO c1cn2c(C[NH2+]Cc3ccc4c(c3)OCCO4)c(-c3ccccc3)nc2s1 ZINC000014215519 818228706 /nfs/dbraw/zinc/22/87/06/818228706.db2.gz GIGUZEFEHABGOM-UHFFFAOYSA-N 1 0 377.469 4.124 20 0 GIADRO COc1cc(Br)cc(C[NH2+][C@@H]2CCOc3c(C)cccc32)c1O ZINC000188877978 823321909 /nfs/dbraw/zinc/32/19/09/823321909.db2.gz UBGFTXOYHKWHSO-OAHLLOKOSA-N 1 0 378.266 4.085 20 0 GIADRO Cc1ccc2nc(C3CC3)cc(C(=O)N3CC[C@H](C[NH+]4CCCCC4)C3)c2c1 ZINC000176912721 823322929 /nfs/dbraw/zinc/32/29/29/823322929.db2.gz FDNIQFUSWXNEEB-GOSISDBHSA-N 1 0 377.532 4.369 20 0 GIADRO CC1CC[NH+](Cc2ccccc2CNC(=O)CSc2ccc(O)cc2)CC1 ZINC000176914408 823323146 /nfs/dbraw/zinc/32/31/46/823323146.db2.gz RYVLWJYKHMTOCJ-UHFFFAOYSA-N 1 0 384.545 4.033 20 0 GIADRO COc1ccc2cc([C@H](C)[NH2+]CC(=O)N[C@H]3CCOc4ccccc43)ccc2c1 ZINC000409845354 823323463 /nfs/dbraw/zinc/32/34/63/823323463.db2.gz YXDQUJVJTQIVDY-AOMKIAJQSA-N 1 0 390.483 4.139 20 0 GIADRO O=C(C[NH2+][C@H](Cc1ccccc1)c1ccccc1)N[C@@H]1CCOc2ccccc21 ZINC000409847773 823324481 /nfs/dbraw/zinc/32/44/81/823324481.db2.gz YHEKPEPLYXBHQZ-DHIUTWEWSA-N 1 0 386.495 4.200 20 0 GIADRO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc3ccccc3c2)cc1OC ZINC000014932769 818277791 /nfs/dbraw/zinc/27/77/91/818277791.db2.gz FDAWDASXRZEHRM-MRXNPFEDSA-N 1 0 378.472 4.316 20 0 GIADRO Cc1nn(C)c2ncc(C[NH2+]C(C)(C)c3ccc(OC(F)(F)F)cc3)cc12 ZINC000188901155 823325157 /nfs/dbraw/zinc/32/51/57/823325157.db2.gz XVUIDXIOXWEQAE-UHFFFAOYSA-N 1 0 378.398 4.200 20 0 GIADRO C[C@H](NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C)c1ccc(OCc2cccnc2)cc1 ZINC000122233929 823325553 /nfs/dbraw/zinc/32/55/53/823325553.db2.gz BSICJXITJDKTAQ-YRXWBPOGSA-N 1 0 381.520 4.099 20 0 GIADRO C[C@H](NC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C)c1ccc(OCc2cccnc2)cc1 ZINC000122233665 823325561 /nfs/dbraw/zinc/32/55/61/823325561.db2.gz BSICJXITJDKTAQ-VJANTYMQSA-N 1 0 381.520 4.099 20 0 GIADRO C[NH+](C)CCN(Cc1ccco1)C(=O)N[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000176925065 823325773 /nfs/dbraw/zinc/32/57/73/823325773.db2.gz LGUWFEUVVPOTFZ-JOCHJYFZSA-N 1 0 395.478 4.282 20 0 GIADRO CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)c2ccc(Br)s2)[C@H](C)C1 ZINC000122257747 823328691 /nfs/dbraw/zinc/32/86/91/823328691.db2.gz TZNCSORCBAZNMK-ILXRZTDVSA-N 1 0 389.403 4.298 20 0 GIADRO [NH3+]CCC1CCN(C(=O)c2ccc(-c3ccc(OC(F)F)cc3)s2)CC1 ZINC000572373760 823329379 /nfs/dbraw/zinc/32/93/79/823329379.db2.gz QJXBAUILHBOFMJ-UHFFFAOYSA-N 1 0 380.460 4.218 20 0 GIADRO CCN(CC)C(=O)c1cccc(NC(=O)C[NH2+][C@@H](c2ccccc2)C(C)C)c1 ZINC000015550300 818337609 /nfs/dbraw/zinc/33/76/09/818337609.db2.gz GRWOIIVVVQNEQT-JOCHJYFZSA-N 1 0 381.520 4.094 20 0 GIADRO CC(C)[C@@H]([NH2+]CCC(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccccc1 ZINC000015550289 818337799 /nfs/dbraw/zinc/33/77/99/818337799.db2.gz RJROLVDSJYNQCA-HSZRJFAPSA-N 1 0 379.504 4.129 20 0 GIADRO CC1CC[NH+]([C@@H](CNC(=S)NCc2cccs2)c2cccs2)CC1 ZINC000057765611 823329685 /nfs/dbraw/zinc/32/96/85/823329685.db2.gz VVONXAWBBMZKQF-INIZCTEOSA-N 1 0 379.620 4.247 20 0 GIADRO C[C@@H]1[C@@H](NC(=O)Nc2ccc(OCC(F)F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000572394372 823332108 /nfs/dbraw/zinc/33/21/08/823332108.db2.gz XNTMTXZNZHUCLL-BEFAXECRSA-N 1 0 389.446 4.115 20 0 GIADRO COc1cc2c(cc1C[NH2+]Cc1c(C)nn(Cc3ccccc3)c1C)O[C@H](C)C2 ZINC000015582262 818342671 /nfs/dbraw/zinc/34/26/71/818342671.db2.gz JLMDUXMBPHIJQU-MRXNPFEDSA-N 1 0 391.515 4.170 20 0 GIADRO COc1cc2c(cc1C[NH2+]Cc1c(C)nn(Cc3ccccc3)c1C)O[C@@H](C)C2 ZINC000015582265 818342756 /nfs/dbraw/zinc/34/27/56/818342756.db2.gz JLMDUXMBPHIJQU-INIZCTEOSA-N 1 0 391.515 4.170 20 0 GIADRO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(Cl)cc2F)CC1 ZINC000015610106 818347334 /nfs/dbraw/zinc/34/73/34/818347334.db2.gz JBXHNDQWRLCAEG-UHFFFAOYSA-N 1 0 382.266 4.137 20 0 GIADRO O=C(Nc1ccc(F)cc1)c1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000122272154 823330630 /nfs/dbraw/zinc/33/06/30/823330630.db2.gz BQFKTJBZVDEBSR-HBMCJLEFSA-N 1 0 380.463 4.125 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)[C@H](C)C1 ZINC000122273656 823330943 /nfs/dbraw/zinc/33/09/43/823330943.db2.gz VADOBSAMUWVESH-GCJKJVERSA-N 1 0 393.531 4.050 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1)c1cccc(CO)c1 ZINC000122272928 823330967 /nfs/dbraw/zinc/33/09/67/823330967.db2.gz WQJWLWQRNZEYNJ-INIZCTEOSA-N 1 0 378.447 4.421 20 0 GIADRO CC[NH+](CC)CCSCc1csc(CC(=O)Nc2ccc(C)cc2)n1 ZINC000176944361 823331025 /nfs/dbraw/zinc/33/10/25/823331025.db2.gz UOWVEGDKKMCSMH-UHFFFAOYSA-N 1 0 377.579 4.208 20 0 GIADRO CC(C)C[NH+]1CCC(NC(=O)C2(Cc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000188939516 823331183 /nfs/dbraw/zinc/33/11/83/823331183.db2.gz NUIVWJUAVRJKFJ-UHFFFAOYSA-N 1 0 382.470 4.265 20 0 GIADRO CC[C@@H](C)c1nnc(N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)n1CC ZINC000460253467 823331665 /nfs/dbraw/zinc/33/16/65/823331665.db2.gz SPRMAQNIZXXFJQ-AUSIDOKSSA-N 1 0 381.568 4.304 20 0 GIADRO O=C(COc1cccc2ccccc21)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000015988638 818381620 /nfs/dbraw/zinc/38/16/20/818381620.db2.gz SJOZBZRISWOWSD-FQEVSTJZSA-N 1 0 378.472 4.155 20 0 GIADRO CC(C)Oc1ccc(C(=O)Nc2cc(Cl)ccc2N2CC[NH+](C)CC2)cc1 ZINC000016002790 818383865 /nfs/dbraw/zinc/38/38/65/818383865.db2.gz BMVXSHPRKYBOFV-UHFFFAOYSA-N 1 0 387.911 4.131 20 0 GIADRO Cc1cc(SC(C)(C)C)ccc1NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000176953259 823333232 /nfs/dbraw/zinc/33/32/32/823333232.db2.gz KCCVQFLXYYQTRE-QGZVFWFLSA-N 1 0 391.581 4.072 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)CC1CC(c2ccccc2)C1 ZINC000409876857 823333281 /nfs/dbraw/zinc/33/32/81/823333281.db2.gz AUYGRALGDRSMGH-UHFFFAOYSA-N 1 0 377.532 4.340 20 0 GIADRO C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@@H]2C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)o1 ZINC000409892134 823337309 /nfs/dbraw/zinc/33/73/09/823337309.db2.gz QGAFRAQEJWEWOJ-FCLVOEFKSA-N 1 0 395.503 4.035 20 0 GIADRO Cc1cc(NC(=O)NC2CC[NH+](CC(C)C)CC2)ccc1NC(=O)c1ccco1 ZINC000057818906 823337370 /nfs/dbraw/zinc/33/73/70/823337370.db2.gz SMYKPCZPACOQTL-UHFFFAOYSA-N 1 0 398.507 4.082 20 0 GIADRO CSC1(CNC(=O)N[C@H](C)c2cc3ccccc3s2)CC[NH+](C)CC1 ZINC000460276266 823337456 /nfs/dbraw/zinc/33/74/56/823337456.db2.gz NTNZIJCILURCEG-CQSZACIVSA-N 1 0 377.579 4.089 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)C(=O)Nc2ccc(SC3CCCC3)cc2)c1 ZINC000188962399 823334536 /nfs/dbraw/zinc/33/45/36/823334536.db2.gz UTGGCMLNKNUKKV-UHFFFAOYSA-N 1 0 397.544 4.360 20 0 GIADRO C[NH+](C)C[C@H](NC(=O)Nc1ccc(Cl)cc1OC(F)F)c1ccccc1 ZINC000460265095 823334847 /nfs/dbraw/zinc/33/48/47/823334847.db2.gz YLCROOGHUDIDOH-HNNXBMFYSA-N 1 0 383.826 4.366 20 0 GIADRO COc1cccc([C@@H](CNC(=S)Nc2ccc(C(C)=O)cc2)[NH+]2CCCC2)c1 ZINC000016244980 818411092 /nfs/dbraw/zinc/41/10/92/818411092.db2.gz HONGNUBELCUMBY-OAQYLSRUSA-N 1 0 397.544 4.021 20 0 GIADRO CCN(c1nnc([C@@H]2OCC[C@@H]2C)n1CC)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000460266446 823335213 /nfs/dbraw/zinc/33/52/13/823335213.db2.gz KEMBZVNVPBNCJL-UYWIDEMCSA-N 1 0 397.567 4.057 20 0 GIADRO COc1ccc([C@H](CNC(=S)Nc2c(C)cccc2C)[NH+]2CCCC2)cc1 ZINC000016315652 818421865 /nfs/dbraw/zinc/42/18/65/818421865.db2.gz PYNDZUJUHQOCTM-FQEVSTJZSA-N 1 0 383.561 4.436 20 0 GIADRO C[C@H]1CCC[N@H+](CCCCNC(=O)N(C)Cc2cccc(C(F)(F)F)c2)C1 ZINC000122309815 823335988 /nfs/dbraw/zinc/33/59/88/823335988.db2.gz CNVWQPSWQSKORX-INIZCTEOSA-N 1 0 385.474 4.359 20 0 GIADRO C[N@@H+]1CCCC12CCN(C(=O)c1cccn1-c1c(Cl)cccc1Cl)CC2 ZINC000409886988 823336218 /nfs/dbraw/zinc/33/62/18/823336218.db2.gz MLZDRQAOYSHCCJ-UHFFFAOYSA-N 1 0 392.330 4.485 20 0 GIADRO CC(=O)Nc1ccc(NC(=S)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1 ZINC000057814974 823336191 /nfs/dbraw/zinc/33/61/91/823336191.db2.gz YYXIDMQYUDBHOB-OAQYLSRUSA-N 1 0 396.560 4.077 20 0 GIADRO COCCCN(C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl)C1CC[NH+](C)CC1 ZINC000572419211 823336339 /nfs/dbraw/zinc/33/63/39/823336339.db2.gz FFEOLYAVSYNVFF-ROUUACIJSA-N 1 0 399.362 4.056 20 0 GIADRO Cc1cc(C)c(NC(=O)COC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c(C)c1 ZINC000016402039 818436117 /nfs/dbraw/zinc/43/61/17/818436117.db2.gz DRUTWVMKOGVGOA-UHFFFAOYSA-N 1 0 394.515 4.393 20 0 GIADRO C[C@H](OC(=O)c1ccc(C[NH+]2CCCCC2)cc1)C(=O)NCCC1=CCCCC1 ZINC000016402191 818436230 /nfs/dbraw/zinc/43/62/30/818436230.db2.gz CPNOEFIRRQLOLS-IBGZPJMESA-N 1 0 398.547 4.225 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[C@H](c2ccccc2OC)C1 ZINC000122313977 823336560 /nfs/dbraw/zinc/33/65/60/823336560.db2.gz WJJXBEGYXZHWOM-NRFANRHFSA-N 1 0 395.547 4.236 20 0 GIADRO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CC2(CCC2)[C@H]1C1CC1 ZINC000460278414 823337746 /nfs/dbraw/zinc/33/77/46/823337746.db2.gz VRSOHKNRZVQNAG-LQCXBHPOSA-N 1 0 379.548 4.156 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1cc(-c2cccnc2)nc2ccccc21)c1ccccc1 ZINC000016599387 818459037 /nfs/dbraw/zinc/45/90/37/818459037.db2.gz OSEQWGHVKQDSJR-XMMPIXPASA-N 1 0 396.494 4.330 20 0 GIADRO Cc1nn(-c2ccc(C(=O)NC[C@@H](c3ccccc3)[NH+](C)C)cc2)c(C)c1Cl ZINC000016599312 818459048 /nfs/dbraw/zinc/45/90/48/818459048.db2.gz HKAFYXNJXPFPRW-FQEVSTJZSA-N 1 0 396.922 4.175 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(Br)cc2OC(C)C)[C@H](C)C1 ZINC000122331367 823339331 /nfs/dbraw/zinc/33/93/31/823339331.db2.gz VQWHWPITRSVSPG-PBHICJAKSA-N 1 0 397.357 4.039 20 0 GIADRO C[C@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[N@H+](Cc2cc(=O)n3ccsc3n2)C1 ZINC000122331982 823339379 /nfs/dbraw/zinc/33/93/79/823339379.db2.gz QYHQDNXLUGAYRS-LRDDRELGSA-N 1 0 393.434 4.358 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)/C=C/c1nc2ccccc2s1 ZINC000016784044 818478133 /nfs/dbraw/zinc/47/81/33/818478133.db2.gz KJBAESUVIFUAAR-BUHFOSPRSA-N 1 0 379.529 4.468 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(Br)cc2OC(C)C)[C@H](C)C1 ZINC000122331594 823339516 /nfs/dbraw/zinc/33/95/16/823339516.db2.gz VQWHWPITRSVSPG-RHSMWYFYSA-N 1 0 397.357 4.039 20 0 GIADRO CC[C@H]([NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1)c1ccc(OC)c(OC)c1 ZINC000122336094 823339941 /nfs/dbraw/zinc/33/99/41/823339941.db2.gz LTBXOWATRACEJE-QFIPXVFZSA-N 1 0 397.563 4.480 20 0 GIADRO CC(C)([NH2+]CC(=O)N1CCc2sccc2C1)c1cccc(C(F)(F)F)c1 ZINC000057846956 823341018 /nfs/dbraw/zinc/34/10/18/823341018.db2.gz VMYIUJCEWQOMIH-UHFFFAOYSA-N 1 0 382.451 4.177 20 0 GIADRO COc1ccc(C[N@H+](C[C@H](O)COc2cccc3ccccc32)C2CC2)cc1 ZINC000057868325 823343221 /nfs/dbraw/zinc/34/32/21/823343221.db2.gz LLMJZLYGZDTYEV-NRFANRHFSA-N 1 0 377.484 4.253 20 0 GIADRO COc1ccc(C[NH2+]Cc2cccc(NC(=O)c3ccc(OC)cc3)c2)cc1 ZINC000017310331 818507991 /nfs/dbraw/zinc/50/79/91/818507991.db2.gz MBILLUMRCINYKY-UHFFFAOYSA-N 1 0 376.456 4.246 20 0 GIADRO CN1CCC([NH2+]Cc2cn(-c3ccccc3)nc2-c2cccc(Cl)c2)CC1 ZINC000017313938 818508446 /nfs/dbraw/zinc/50/84/46/818508446.db2.gz RNXKAQUMKPYSIW-UHFFFAOYSA-N 1 0 380.923 4.377 20 0 GIADRO COc1ccc(C(=O)Nc2cccc(CNCCC[N@@H+]3CCCC[C@@H]3C)c2)cc1 ZINC000017317820 818509191 /nfs/dbraw/zinc/50/91/91/818509191.db2.gz VTRXUZDZGLMSTD-IBGZPJMESA-N 1 0 395.547 4.302 20 0 GIADRO Fc1ccc(Cn2cc(C[NH2+]Cc3ccc(OC(F)(F)F)cc3)cn2)cc1 ZINC000189011356 823342055 /nfs/dbraw/zinc/34/20/55/823342055.db2.gz MGTVMONHEDTOAT-UHFFFAOYSA-N 1 0 379.357 4.259 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1ccc(C2SCCS2)cc1)Cc1ccccc1 ZINC000017794018 818527672 /nfs/dbraw/zinc/52/76/72/818527672.db2.gz OALWVYDKZLDYKB-IBGZPJMESA-N 1 0 386.586 4.068 20 0 GIADRO Cc1nn(Cc2ccccc2)c2sc(C(=O)NC3CC[NH+](C(C)C)CC3)cc12 ZINC000017819658 818528217 /nfs/dbraw/zinc/52/82/17/818528217.db2.gz DXSFHKYGAJCSGY-UHFFFAOYSA-N 1 0 396.560 4.057 20 0 GIADRO COc1ccc([C@H](CNC(=O)c2cc3ccccc3s2)[NH+]2CCCC2)cc1 ZINC000017911719 818532894 /nfs/dbraw/zinc/53/28/94/818532894.db2.gz SXEWWEHTFNTYOG-IBGZPJMESA-N 1 0 380.513 4.477 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)CCc1nc2ccccc2s1)c1ccccc1 ZINC000018019159 818539058 /nfs/dbraw/zinc/53/90/58/818539058.db2.gz LFBNHYCLFARBTN-LJQANCHMSA-N 1 0 381.545 4.428 20 0 GIADRO C[NH+](C)[C@H](CNC(=S)Nc1ccc(OC(F)(F)F)cc1)c1cccs1 ZINC000018142776 818550487 /nfs/dbraw/zinc/55/04/87/818550487.db2.gz APOZUSQAKHUHJL-CYBMUJFWSA-N 1 0 389.468 4.236 20 0 GIADRO CCC(CC)(C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)c1ccccc1 ZINC000176993022 823345300 /nfs/dbraw/zinc/34/53/00/823345300.db2.gz QFJCRXJCQNONGB-UHFFFAOYSA-N 1 0 394.559 4.018 20 0 GIADRO COc1cccc([C@H](CNC(=O)c2ccc(C(F)(F)F)cc2)[NH+]2CCCC2)c1 ZINC000018184043 818555208 /nfs/dbraw/zinc/55/52/08/818555208.db2.gz UIIQUHIRFGXGNT-IBGZPJMESA-N 1 0 392.421 4.281 20 0 GIADRO Fc1ccc(Cn2cc(C[NH2+]Cc3ccnc(OC4CCCC4)c3)cn2)cc1 ZINC000189038965 823346194 /nfs/dbraw/zinc/34/61/94/823346194.db2.gz HOYKSLIDROOGTA-UHFFFAOYSA-N 1 0 380.467 4.077 20 0 GIADRO CO[C@H]1CCN(C(=O)c2cccc(CSc3ccc(C)cc3C)c2)[C@H](C[NH3+])C1 ZINC000572475193 823346716 /nfs/dbraw/zinc/34/67/16/823346716.db2.gz ZQCPADAMVQQISA-SFTDATJTSA-N 1 0 398.572 4.174 20 0 GIADRO C[C@H](NC(=O)c1cnccc1Oc1ccccc1)[C@H](c1ccccc1)[NH+](C)C ZINC000409943378 823349588 /nfs/dbraw/zinc/34/95/88/823349588.db2.gz PJBNBGICJQANJT-HTAPYJJXSA-N 1 0 375.472 4.295 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)/C=C/c3nc4ccccc4s3)cc2)CC1 ZINC000018892038 818579289 /nfs/dbraw/zinc/57/92/89/818579289.db2.gz SGNNPXTYCYXLEC-VAWYXSNFSA-N 1 0 392.528 4.090 20 0 GIADRO CCc1ccccc1NC(=S)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000018924581 818581172 /nfs/dbraw/zinc/58/11/72/818581172.db2.gz FZSCHEFYUWWLLQ-NRFANRHFSA-N 1 0 383.561 4.381 20 0 GIADRO COc1cccc([C@H](CNC(=S)Nc2ccc(C)c(F)c2)[NH+]2CCCC2)c1 ZINC000018924978 818581245 /nfs/dbraw/zinc/58/12/45/818581245.db2.gz OOCWILVCXWYGOJ-FQEVSTJZSA-N 1 0 387.524 4.266 20 0 GIADRO Brc1cccc(-c2c[nH]c(C[N@@H+]3CCC[C@H]3[C@@H]3CCCOC3)n2)c1 ZINC000572483873 823347550 /nfs/dbraw/zinc/34/75/50/823347550.db2.gz XYNGEYRMQAIROD-QAPCUYQASA-N 1 0 390.325 4.230 20 0 GIADRO C[C@H](OC[C@@H](O)C[N@H+](C)Cc1cnn(-c2ccccc2)c1)c1ccc(Cl)cc1 ZINC000057948983 823349646 /nfs/dbraw/zinc/34/96/46/823349646.db2.gz DFXSAVFWPHZQKY-JTSKRJEESA-N 1 0 399.922 4.096 20 0 GIADRO CCCC[NH+]1CCC(NC(=O)Nc2cc(Br)c(F)cc2F)CC1 ZINC000189068169 823351705 /nfs/dbraw/zinc/35/17/05/823351705.db2.gz USJPAGBXQHSFOL-UHFFFAOYSA-N 1 0 390.272 4.113 20 0 GIADRO CC(C)(C)OC1CC([NH+]2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)C1 ZINC000572517616 823352460 /nfs/dbraw/zinc/35/24/60/823352460.db2.gz CSABGQNDWGLEOU-UHFFFAOYSA-N 1 0 380.916 4.042 20 0 GIADRO C[C@@H](c1ccccc1Br)[N@H+](C)CCC(=O)Nc1cc(N)ccc1F ZINC000177026332 823352689 /nfs/dbraw/zinc/35/26/89/823352689.db2.gz VUAFBXBJYUGIJQ-LBPRGKRZSA-N 1 0 394.288 4.192 20 0 GIADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C[C@H](c1ccccc1)C(F)(F)F ZINC000572518560 823352818 /nfs/dbraw/zinc/35/28/18/823352818.db2.gz DHAMNFXUDOPVOQ-VQIMIIECSA-N 1 0 378.438 4.359 20 0 GIADRO CC[C@H](Cc1ccccc1)N(C)C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000460321622 823352800 /nfs/dbraw/zinc/35/28/00/823352800.db2.gz OZIMBQRFJSVCNP-HSZRJFAPSA-N 1 0 393.575 4.069 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C)cc3)C2=O)ccc1SC ZINC000189079474 823353648 /nfs/dbraw/zinc/35/36/48/823353648.db2.gz BHBCEHWQLUEZEG-VQIMIIECSA-N 1 0 384.545 4.177 20 0 GIADRO CCCOc1ccc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1OCC ZINC000021044507 818649298 /nfs/dbraw/zinc/64/92/98/818649298.db2.gz OGHRTFQAZHZRIT-UHFFFAOYSA-N 1 0 396.531 4.269 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(COc3cccc(F)c3)c2)[C@H](C)C1 ZINC000122441727 823354920 /nfs/dbraw/zinc/35/49/20/823354920.db2.gz AJRVWBNQPJNFOA-VGOFRKELSA-N 1 0 384.495 4.207 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)CCc1ncc(-c2ccccc2Cl)o1)c1ccccc1 ZINC000021305704 818673093 /nfs/dbraw/zinc/67/30/93/818673093.db2.gz OIFUNZINUKZDNA-LJQANCHMSA-N 1 0 397.906 4.347 20 0 GIADRO O=C(NCCC[NH+]1CCCCCC1)c1cc(-c2cccnc2)nc2ccccc21 ZINC000021311647 818673947 /nfs/dbraw/zinc/67/39/47/818673947.db2.gz RVCMDBLIBXZPIV-UHFFFAOYSA-N 1 0 388.515 4.293 20 0 GIADRO C[N@H+](CCC1CCOCC1)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000177021210 823350854 /nfs/dbraw/zinc/35/08/54/823350854.db2.gz RQUPRPQWEPPHPT-UHFFFAOYSA-N 1 0 378.822 4.046 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)NCc2ccc3cc(OC)ccc3c2)c1 ZINC000409948735 823351068 /nfs/dbraw/zinc/35/10/68/823351068.db2.gz TYTKFELVRBFEEG-UHFFFAOYSA-N 1 0 391.515 4.300 20 0 GIADRO O=C1C[C@H](C[NH2+][C@H](c2ccc(F)cc2)c2cnc3ccccc3c2)CN1C1CC1 ZINC000572531910 823355716 /nfs/dbraw/zinc/35/57/16/823355716.db2.gz OKWISSMJKCYXAG-VOIUYBSRSA-N 1 0 389.474 4.064 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)[C@@H]2CC=CC[C@@H]2c2nc3ccccc3s2)C[N@@H+]1C1CC1 ZINC000177039060 823356707 /nfs/dbraw/zinc/35/67/07/823356707.db2.gz AVGNFZJRJWCBCY-ATLSCFEFSA-N 1 0 381.545 4.088 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C3SCCCS3)cc2)[C@H](C)C1 ZINC000122483175 823361043 /nfs/dbraw/zinc/36/10/43/823361043.db2.gz TXQQXLYORWCKGG-QAPCUYQASA-N 1 0 378.607 4.358 20 0 GIADRO O=C1c2ccccc2C(=O)N1CCCC[N@H+](Cc1ccco1)Cc1ccccc1 ZINC000021582031 818707976 /nfs/dbraw/zinc/70/79/76/818707976.db2.gz DXLNPYBJWWGVTM-UHFFFAOYSA-N 1 0 388.467 4.358 20 0 GIADRO C[C@@H](C(=O)NCc1ccc(CC[NH+](C)C)cc1)c1ccc(C(F)(F)F)cc1 ZINC000409967222 823357453 /nfs/dbraw/zinc/35/74/53/823357453.db2.gz OOQQFAZGVOYKHW-OAHLLOKOSA-N 1 0 378.438 4.229 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccc(OC(F)F)c(OC)c2)C1)CC(F)(F)F ZINC000177043587 823357716 /nfs/dbraw/zinc/35/77/16/823357716.db2.gz OJJCPYZKOQQGJW-AWEZNQCLSA-N 1 0 396.400 4.003 20 0 GIADRO Cn1nc(-c2ccc(F)cc2F)cc1NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000572544943 823358163 /nfs/dbraw/zinc/35/81/63/823358163.db2.gz ZJIIVYJXKNFXJE-UHFFFAOYSA-N 1 0 396.441 4.213 20 0 GIADRO COCc1cccc(NC(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)c1 ZINC000058058428 823358096 /nfs/dbraw/zinc/35/80/96/823358096.db2.gz TVSAWCZGJSDMDL-UHFFFAOYSA-N 1 0 381.520 4.387 20 0 GIADRO C[C@H](NC(=O)C1CC[NH+](C2CC2)CC1)c1cccc(OCc2ccccc2)c1 ZINC000572545464 823358335 /nfs/dbraw/zinc/35/83/35/823358335.db2.gz QKUCYESIWMBZBE-SFHVURJKSA-N 1 0 378.516 4.317 20 0 GIADRO CC(C)(CO)[C@@H]([NH2+]Cc1csc(COc2ccc(Cl)cc2)n1)C1CC1 ZINC000572546175 823358692 /nfs/dbraw/zinc/35/86/92/823358692.db2.gz PJCVVVGCBNOSFB-SFHVURJKSA-N 1 0 380.941 4.262 20 0 GIADRO O=C(Nc1ccc2oc(C3CC3)nc2c1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000058073133 823359661 /nfs/dbraw/zinc/35/96/61/823359661.db2.gz CACDULJKRXWYBO-IBGZPJMESA-N 1 0 390.487 4.491 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2csc(-c3cccc(Cl)c3)n2)[C@H](C)C1 ZINC000122484890 823361511 /nfs/dbraw/zinc/36/15/11/823361511.db2.gz OGPXFFZTGUSNQO-DYVFJYSZSA-N 1 0 377.941 4.266 20 0 GIADRO Cc1c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)cnn1C1CCCCC1 ZINC000572554427 823360281 /nfs/dbraw/zinc/36/02/81/823360281.db2.gz WPZLLTRVRHQLCN-XMSQKQJNSA-N 1 0 380.536 4.090 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)c2ccc(OC)c(-c3ccccn3)c2)CC1 ZINC000122480391 823360554 /nfs/dbraw/zinc/36/05/54/823360554.db2.gz VERGVZIBDUBQSC-UHFFFAOYSA-N 1 0 395.547 4.341 20 0 GIADRO CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000021934508 818757390 /nfs/dbraw/zinc/75/73/90/818757390.db2.gz NDRGVUBIBHVKHM-UHFFFAOYSA-N 1 0 396.531 4.352 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccc(OC(F)F)cc1 ZINC000021971740 818760894 /nfs/dbraw/zinc/76/08/94/818760894.db2.gz BZOCAQWQJXCAFA-UHFFFAOYSA-N 1 0 394.849 4.336 20 0 GIADRO Cc1cc(C)n(-c2ccccc2NC(=O)NCCC[N@@H+](C)Cc2ccccc2)n1 ZINC000058026607 823355658 /nfs/dbraw/zinc/35/56/58/823355658.db2.gz VYZIIDNONNESHT-UHFFFAOYSA-N 1 0 391.519 4.133 20 0 GIADRO COCCOc1ccc(Cl)cc1-c1noc([C@@]2(F)CC[N@@H+](C(C)(C)C)C2)n1 ZINC000572567016 823362442 /nfs/dbraw/zinc/36/24/42/823362442.db2.gz JMZXDZMBVWZJLT-LJQANCHMSA-N 1 0 397.878 4.084 20 0 GIADRO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1ccc(SC(=O)N(C)C)cc1 ZINC000177065877 823362798 /nfs/dbraw/zinc/36/27/98/823362798.db2.gz UQWZYTFEJUHKRJ-WZQKQDCOSA-N 1 0 390.574 4.391 20 0 GIADRO Cc1cccc(-c2noc(CNC3[C@@H](C)C[NH+](Cc4ccccc4)C[C@@H]3C)n2)c1 ZINC000460358855 823363169 /nfs/dbraw/zinc/36/31/69/823363169.db2.gz MNBXLYBALAOIIR-OALUTQOASA-N 1 0 390.531 4.291 20 0 GIADRO COCCCN(C(=O)CC(c1ccccc1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000572570049 823363239 /nfs/dbraw/zinc/36/32/39/823363239.db2.gz CEVMQFFCJGAGNJ-UHFFFAOYSA-N 1 0 394.559 4.168 20 0 GIADRO COc1cccc(C[N@H+](C)CCC(=O)Nc2ccc(Br)cc2F)c1 ZINC000022198388 818781998 /nfs/dbraw/zinc/78/19/98/818781998.db2.gz WEUJNWTUVJRDKR-UHFFFAOYSA-N 1 0 395.272 4.057 20 0 GIADRO C[N@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)Cc1ccc2c(c1)OCCO2 ZINC000022199043 818782508 /nfs/dbraw/zinc/78/25/08/818782508.db2.gz NBUCMUFEBXKCDE-UHFFFAOYSA-N 1 0 395.286 4.225 20 0 GIADRO CC(=O)N(c1nc(CSCC2CC[NH2+]CC2)cs1)c1ccc(F)cc1 ZINC000572598861 823367561 /nfs/dbraw/zinc/36/75/61/823367561.db2.gz BVQDMDQLCMCCFJ-UHFFFAOYSA-N 1 0 379.526 4.200 20 0 GIADRO CC(=O)Nc1ccc(C)c(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)c1 ZINC000189140824 823363814 /nfs/dbraw/zinc/36/38/14/823363814.db2.gz GPEMRTORACQINR-UHFFFAOYSA-N 1 0 393.531 4.259 20 0 GIADRO C[C@H]1CCC[N@H+](CCCCNC(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)C1 ZINC000177068848 823363909 /nfs/dbraw/zinc/36/39/09/823363909.db2.gz YUMIIRUYNKCFET-KSSFIOAISA-N 1 0 387.351 4.045 20 0 GIADRO Cc1ncc2n1CC[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1)C2 ZINC000572576005 823364165 /nfs/dbraw/zinc/36/41/65/823364165.db2.gz HQDGTTAFIMYPPW-AWEZNQCLSA-N 1 0 392.425 4.012 20 0 GIADRO Cc1ncc2n1CC[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1)C2 ZINC000572576006 823364222 /nfs/dbraw/zinc/36/42/22/823364222.db2.gz HQDGTTAFIMYPPW-CQSZACIVSA-N 1 0 392.425 4.012 20 0 GIADRO CC1CC[NH+](C2CCC(NC(=O)[C@@H]3SCCc4sccc43)CC2)CC1 ZINC000122503836 823364401 /nfs/dbraw/zinc/36/44/01/823364401.db2.gz FBLNLCYWUGIOLI-LADRWXRNSA-N 1 0 378.607 4.238 20 0 GIADRO COc1ccc(C)cc1CCNC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000022429228 818805822 /nfs/dbraw/zinc/80/58/22/818805822.db2.gz WLXGGBWUVAAHKN-UHFFFAOYSA-N 1 0 395.547 4.031 20 0 GIADRO CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000460366026 823364955 /nfs/dbraw/zinc/36/49/55/823364955.db2.gz PZYFIEHKFWUWQD-OXJNMPFZSA-N 1 0 388.943 4.244 20 0 GIADRO C[NH+](C)CCCOC1CCN(C(=O)c2ccccc2CCc2ccccc2)CC1 ZINC000177085372 823367277 /nfs/dbraw/zinc/36/72/77/823367277.db2.gz MCWXINMXIROQSC-UHFFFAOYSA-N 1 0 394.559 4.045 20 0 GIADRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1c[nH]nc1-c1ccc(Cl)cc1 ZINC000022464201 818810441 /nfs/dbraw/zinc/81/04/41/818810441.db2.gz TWTSJHWIBXVNKC-FQEVSTJZSA-N 1 0 394.906 4.297 20 0 GIADRO [NH3+]CC[C@H]1CCCCN1C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1 ZINC000572594299 823366790 /nfs/dbraw/zinc/36/67/90/823366790.db2.gz BYXVSLUIBFSQDH-GFCCVEGCSA-N 1 0 384.332 4.460 20 0 GIADRO CC[C@@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000412055783 823624438 /nfs/dbraw/zinc/62/44/38/823624438.db2.gz MNJMMCCAHYRGSW-ROUUACIJSA-N 1 0 379.342 4.377 20 0 GIADRO COc1ccc(C(=O)Nc2ccc(C)cc2C[NH+](C)C)cc1-c1ccccn1 ZINC000122529337 823367683 /nfs/dbraw/zinc/36/76/83/823367683.db2.gz CJUXKPQSGYTGLJ-UHFFFAOYSA-N 1 0 375.472 4.380 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)C12CC3CC(CC(C3)C1)C2)[NH+]1CCCC1 ZINC000022679753 818842320 /nfs/dbraw/zinc/84/23/20/818842320.db2.gz WOCQQUPITGBIKU-ZNKOEICNSA-N 1 0 382.548 4.165 20 0 GIADRO CCc1ccc([C@H](CNC(=O)c2[nH]c3c(c2C)C(=O)CC(C)(C)C3)[NH+](C)C)cc1 ZINC000022683993 818842843 /nfs/dbraw/zinc/84/28/43/818842843.db2.gz NKOHKYLQCNZHHQ-IBGZPJMESA-N 1 0 395.547 4.073 20 0 GIADRO CCc1ccc([C@@H](CNC(=O)c2[nH]c3c(c2C)C(=O)CC(C)(C)C3)[NH+](C)C)cc1 ZINC000022683989 818843077 /nfs/dbraw/zinc/84/30/77/818843077.db2.gz NKOHKYLQCNZHHQ-LJQANCHMSA-N 1 0 395.547 4.073 20 0 GIADRO Cc1sc([C@H](C)NC(=O)N[C@@H](C)C[C@H](C)[NH3+])nc1-c1ccc(Cl)cc1 ZINC000572599725 823367750 /nfs/dbraw/zinc/36/77/50/823367750.db2.gz LBLNXVJJTWZPES-SRVKXCTJSA-N 1 0 380.945 4.258 20 0 GIADRO COc1ccc([C@@H](CNC(=O)CCc2ccc(C)cc2)[NH+]2CCCCC2)cc1 ZINC000022685860 818843879 /nfs/dbraw/zinc/84/38/79/818843879.db2.gz RCPNFTYDBBCSRO-HSZRJFAPSA-N 1 0 380.532 4.280 20 0 GIADRO CC(C)(C)c1cc[n+](C(C(=O)c2ccc(F)cc2F)C(=S)NC2CC2)cc1 ZINC000022688564 818844279 /nfs/dbraw/zinc/84/42/79/818844279.db2.gz MFZWPCCSQBLXSK-UHFFFAOYSA-O 1 0 389.491 4.241 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1cccc(OC[C@@H]2CCCO2)c1)c1ccccc1 ZINC000022753008 818856072 /nfs/dbraw/zinc/85/60/72/818856072.db2.gz SCEIROFJOUWAJO-GOTSBHOMSA-N 1 0 396.531 4.057 20 0 GIADRO COc1cc(C[NH2+]CC(C)C)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000022770961 818859000 /nfs/dbraw/zinc/85/90/00/818859000.db2.gz DNXWAEFCHXUCJA-UHFFFAOYSA-N 1 0 394.874 4.251 20 0 GIADRO C[C@H]([NH2+]CCC(=O)N1CCc2ccccc2C1)c1ccc(-c2ccncc2)cc1 ZINC000189167885 823369056 /nfs/dbraw/zinc/36/90/56/823369056.db2.gz VIZDAEKDGVPRGS-IBGZPJMESA-N 1 0 385.511 4.374 20 0 GIADRO COc1cccc(-c2ccc(C[NH2+]C3CCN(C(=O)c4ccco4)CC3)cc2)c1 ZINC000122563764 823373202 /nfs/dbraw/zinc/37/32/02/823373202.db2.gz ZOVRKIPQSYOCIS-UHFFFAOYSA-N 1 0 390.483 4.350 20 0 GIADRO Cc1cc(C)c(NC(=O)[C@H](C)N2CC[NH+](Cc3ccccc3C)CC2)c(C)c1 ZINC000022818428 818864051 /nfs/dbraw/zinc/86/40/51/818864051.db2.gz NPHRKXKKNMDFDN-NRFANRHFSA-N 1 0 379.548 4.065 20 0 GIADRO CC(C)[C@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)Nc3ccc4c(c3)CCC4)c2C1 ZINC000189171548 823369601 /nfs/dbraw/zinc/36/96/01/823369601.db2.gz KGBCJBQZNYRGEV-INIZCTEOSA-N 1 0 391.515 4.113 20 0 GIADRO O=C(Nc1ccc2c(c1)C[NH2+]CCO2)N1CCC(CCc2ccccc2)CC1 ZINC000572614310 823369768 /nfs/dbraw/zinc/36/97/68/823369768.db2.gz HZMWIHGFZHEOEJ-UHFFFAOYSA-N 1 0 379.504 4.045 20 0 GIADRO CSCc1cnc(C[NH2+][C@@H]2CCN(c3ccccc3Br)C2)s1 ZINC000572614215 823369823 /nfs/dbraw/zinc/36/98/23/823369823.db2.gz BCIOJDYPCGDGIX-GFCCVEGCSA-N 1 0 398.395 4.137 20 0 GIADRO CC(C)[NH+]1CCN(c2cccc(NC(=O)Cc3c[nH]c4cc(F)ccc34)c2)CC1 ZINC000122546411 823370199 /nfs/dbraw/zinc/37/01/99/823370199.db2.gz WAHATDJMRKIKJS-UHFFFAOYSA-N 1 0 394.494 4.019 20 0 GIADRO C[C@H]1C[C@@H](NC(=O)Nc2cnn(-c3ccccc3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000177110481 823373698 /nfs/dbraw/zinc/37/36/98/823373698.db2.gz CRNCFAUZUWSHSM-ICSRJNTNSA-N 1 0 389.503 4.047 20 0 GIADRO OCC1([C@H]([NH2+]Cc2ccc(Sc3ccccc3)cc2)C2CC2)CCOCC1 ZINC000572623708 823370708 /nfs/dbraw/zinc/37/07/08/823370708.db2.gz VEZNNNDPFBYWQF-JOCHJYFZSA-N 1 0 383.557 4.495 20 0 GIADRO O=C(Cc1ccccc1Cl)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000058248514 823371350 /nfs/dbraw/zinc/37/13/50/823371350.db2.gz LASCKAPHXDYQSL-UHFFFAOYSA-N 1 0 377.315 4.317 20 0 GIADRO COc1cc(Br)ccc1C[NH2+]Cc1c[nH]nc1-c1ccccc1F ZINC000189184535 823371728 /nfs/dbraw/zinc/37/17/28/823371728.db2.gz MWAVFSTWXPZMQR-UHFFFAOYSA-N 1 0 390.256 4.277 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)CCc1c[nH]c2ccccc12)Cc1ccccc1 ZINC000023197055 818907554 /nfs/dbraw/zinc/90/75/54/818907554.db2.gz PGXXKENNPBFHHA-NRFANRHFSA-N 1 0 377.532 4.170 20 0 GIADRO CC[N@@H+]1CCC[C@H](CNC(=O)CSCc2ccc(Cl)cc2Cl)C1 ZINC000058274215 823373569 /nfs/dbraw/zinc/37/35/69/823373569.db2.gz LZNZBPRLOSLPKY-CYBMUJFWSA-N 1 0 375.365 4.075 20 0 GIADRO CC[N@@H+]1CCC[C@H](CNC(=O)c2oc3ccccc3c2COc2ccccc2)C1 ZINC000058276031 823374106 /nfs/dbraw/zinc/37/41/06/823374106.db2.gz BXLDLLUZCYGCEG-GOSISDBHSA-N 1 0 392.499 4.474 20 0 GIADRO COc1cc(C(C)=O)ccc1OC[C@H](O)C[N@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000023389843 818932247 /nfs/dbraw/zinc/93/22/47/818932247.db2.gz KAPIQXGFNUSJQL-OAQYLSRUSA-N 1 0 399.531 4.067 20 0 GIADRO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[N@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000023389841 818932446 /nfs/dbraw/zinc/93/24/46/818932446.db2.gz KAPIQXGFNUSJQL-NRFANRHFSA-N 1 0 399.531 4.067 20 0 GIADRO CC(C)c1c(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cnn1-c1cccc(Cl)c1 ZINC000177116203 823374837 /nfs/dbraw/zinc/37/48/37/823374837.db2.gz PNIZBALSPHVLQI-GOEBONIOSA-N 1 0 386.927 4.004 20 0 GIADRO C[NH+](C)CCN(C(=O)c1ccc(N2CCc3ccccc3C2)cc1)c1ccccc1 ZINC000058296639 823375837 /nfs/dbraw/zinc/37/58/37/823375837.db2.gz XNQSKGWWKXRVLI-UHFFFAOYSA-N 1 0 399.538 4.458 20 0 GIADRO CCCn1c(C)c(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)c2cc(OC)ccc21 ZINC000023526533 818955310 /nfs/dbraw/zinc/95/53/10/818955310.db2.gz MPTXYLZRTDMZAB-JOCHJYFZSA-N 1 0 393.531 4.401 20 0 GIADRO Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000122581293 823376311 /nfs/dbraw/zinc/37/63/11/823376311.db2.gz OYSWMRXZYVDTIK-OAHLLOKOSA-N 1 0 375.900 4.154 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)Nc2c(F)cc(F)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000177121735 823376371 /nfs/dbraw/zinc/37/63/71/823376371.db2.gz JVHFDCHKQPGRJQ-CZUORRHYSA-N 1 0 377.410 4.279 20 0 GIADRO COc1ccc(Cc2nc(C)c([C@@H](C)[NH2+]C[C@@H](O)CC(C)C)s2)cc1OC ZINC000122584341 823376820 /nfs/dbraw/zinc/37/68/20/823376820.db2.gz FWVYTHOWVQAVDH-PBHICJAKSA-N 1 0 392.565 4.117 20 0 GIADRO Cc1ccccc1[C@@H](OC[C@H](O)C[NH2+][C@@H](C)c1ccccn1)c1ccccc1 ZINC000023675524 818972472 /nfs/dbraw/zinc/97/24/72/818972472.db2.gz SUJJUJCXNMIYTG-LEEZEASISA-N 1 0 376.500 4.208 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(C(C)(C)c2ccccc2)cc1)c1ccccn1 ZINC000023675483 818972625 /nfs/dbraw/zinc/97/26/25/818972625.db2.gz FLFVAVCMOBPGOU-SIKLNZKXSA-N 1 0 390.527 4.498 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)/C=C/c1ccccc1Cl)[NH+]1CCCC1 ZINC000023694373 818975151 /nfs/dbraw/zinc/97/51/51/818975151.db2.gz OKTSUGFCNLUPML-SJFMBGHLSA-N 1 0 384.907 4.315 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)N1C[C@@H](C)O[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000410039583 823377102 /nfs/dbraw/zinc/37/71/02/823377102.db2.gz TYJNVJOXAQFMNT-UEVCKROQSA-N 1 0 395.547 4.241 20 0 GIADRO CC(C)[NH+]1CCN(c2cccc(NC(=O)Cc3c[nH]c4ccc(F)cc34)c2)CC1 ZINC000122596873 823379020 /nfs/dbraw/zinc/37/90/20/823379020.db2.gz LBOXEPRAEBAWHT-UHFFFAOYSA-N 1 0 394.494 4.019 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1c(F)cccc1F)c1ccc(OCC2CC2)c(F)c1 ZINC000572670682 823379073 /nfs/dbraw/zinc/37/90/73/823379073.db2.gz YREGKCMEZHXPRB-LBPRGKRZSA-N 1 0 378.394 4.182 20 0 GIADRO CCCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1 ZINC000023991776 819003373 /nfs/dbraw/zinc/00/33/73/819003373.db2.gz VELBDULUTJGKFO-INIZCTEOSA-N 1 0 383.492 4.006 20 0 GIADRO COc1cccc(CNC(=O)CNc2ccccc2C[N@H+](C)C2CCCCC2)c1 ZINC000024040670 819013430 /nfs/dbraw/zinc/01/34/30/819013430.db2.gz ROZZTVUSYBANHK-UHFFFAOYSA-N 1 0 395.547 4.188 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)cc1F ZINC000024102499 819023976 /nfs/dbraw/zinc/02/39/76/819023976.db2.gz SUPGTMNFGYFVPD-RISCZKNCSA-N 1 0 388.266 4.232 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)cc1F ZINC000024102346 819024002 /nfs/dbraw/zinc/02/40/02/819024002.db2.gz SPVWIMBLRCXFLU-DGCLKSJQSA-N 1 0 388.266 4.232 20 0 GIADRO CCOc1ccccc1N1CC[NH+](Cc2cc(C(C)(C)C)cc(O)c2O)CC1 ZINC000024102754 819024584 /nfs/dbraw/zinc/02/45/84/819024584.db2.gz BYTJVDDMWYXAMF-UHFFFAOYSA-N 1 0 384.520 4.116 20 0 GIADRO Cc1nn(CC(C)C)c(C)c1CCC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000024190136 819031091 /nfs/dbraw/zinc/03/10/91/819031091.db2.gz JNIXJQUXCOIJEZ-UHFFFAOYSA-N 1 0 396.579 4.001 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)c2nnc(C3CCC3)n2CCc2ccccc2)C[C@H]1C ZINC000460414460 823381213 /nfs/dbraw/zinc/38/12/13/823381213.db2.gz AWVCZWHTILKARG-NQIIRXRSSA-N 1 0 381.568 4.097 20 0 GIADRO CC[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cn1)c1ccc(Cl)cc1 ZINC000024255795 819040149 /nfs/dbraw/zinc/04/01/49/819040149.db2.gz STEXSCCVLUOUPS-CQSZACIVSA-N 1 0 382.689 4.177 20 0 GIADRO O[C@@H](c1ccc(Cl)cc1)C1CC[NH+](CCOCC(F)(F)C(F)F)CC1 ZINC000189255727 823382221 /nfs/dbraw/zinc/38/22/21/823382221.db2.gz UJKXFNCJMMNLNG-HNNXBMFYSA-N 1 0 383.813 4.002 20 0 GIADRO CCCOc1ccc(C[NH2+][C@H](C)c2ccc(NS(C)(=O)=O)cc2)c(C)c1 ZINC000189271100 823384222 /nfs/dbraw/zinc/38/42/22/823384222.db2.gz FESZULXFBJLXCM-MRXNPFEDSA-N 1 0 376.522 4.006 20 0 GIADRO COc1cccc([C@H](CNC(=O)c2cccc3c(C)c(C)[nH]c32)[NH+]2CCCC2)c1 ZINC000024537617 819067886 /nfs/dbraw/zinc/06/78/86/819067886.db2.gz NVXZHVHQUIGKIB-QFIPXVFZSA-N 1 0 391.515 4.360 20 0 GIADRO CC(=O)Nc1ccc(C[NH2+][C@@H](C)[C@H](OC2CCOCC2)c2ccccc2)cc1 ZINC000122629322 823384326 /nfs/dbraw/zinc/38/43/26/823384326.db2.gz IQIOYLSQTJUNAY-SBUREZEXSA-N 1 0 382.504 4.060 20 0 GIADRO Cc1nc(-c2ccncc2)nc(N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c1C ZINC000572689784 823383588 /nfs/dbraw/zinc/38/35/88/823383588.db2.gz MCKYEUXHPIHJOR-GOTSBHOMSA-N 1 0 399.542 4.114 20 0 GIADRO CCS[C@@H]1CC[C@@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000177157238 823386166 /nfs/dbraw/zinc/38/61/66/823386166.db2.gz PIEUWGGDUTUPDF-WOJBJXKFSA-N 1 0 375.582 4.098 20 0 GIADRO CCn1cc(C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)c2ccccc21 ZINC000058399903 823386164 /nfs/dbraw/zinc/38/61/64/823386164.db2.gz PISXAOQNARBYCT-UHFFFAOYSA-N 1 0 375.516 4.364 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)/C=C/c2ccc3ccccc3n2)CC1 ZINC000058399296 823386230 /nfs/dbraw/zinc/38/62/30/823386230.db2.gz VLAQKDOLTVOHLF-OUKQBFOZSA-N 1 0 385.511 4.337 20 0 GIADRO C[C@H](NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(OCc2ccccc2)c1 ZINC000572705749 823386300 /nfs/dbraw/zinc/38/63/00/823386300.db2.gz GPHXVAHBGAJGJD-HNYYDBCASA-N 1 0 393.531 4.251 20 0 GIADRO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1ccccc1C(=O)c1ccc(F)cc1 ZINC000572744478 823391842 /nfs/dbraw/zinc/39/18/42/823391842.db2.gz ZLWBLZMZSXWGEO-IBGZPJMESA-N 1 0 382.479 4.003 20 0 GIADRO COc1ccc(OC)c(C[NH2+][C@@H](C)[C@H](OC2CCOCC2)c2ccccc2)c1 ZINC000122682127 823393839 /nfs/dbraw/zinc/39/38/39/823393839.db2.gz DFHPDAFIVTXLNS-SBUREZEXSA-N 1 0 385.504 4.119 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1)C(=O)NCc1cccs1 ZINC000122682665 823393857 /nfs/dbraw/zinc/39/38/57/823393857.db2.gz FAZDSFUYAVBOBC-STQMWFEESA-N 1 0 386.439 4.045 20 0 GIADRO CC(C)(C)Cc1nc(-c2cccc(C(=O)Nc3cccc4c3CC[NH2+]C4)c2)no1 ZINC000572750459 823392351 /nfs/dbraw/zinc/39/23/51/823392351.db2.gz VUHYKLZRQCOIPT-UHFFFAOYSA-N 1 0 390.487 4.223 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)Nc2ccc3nc(C4CC4)oc3c2)c1 ZINC000177180477 823392775 /nfs/dbraw/zinc/39/27/75/823392775.db2.gz HUYSJNZEWCSYHR-UHFFFAOYSA-N 1 0 378.476 4.479 20 0 GIADRO Cc1ccccc1COc1cccc(CC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000122678449 823392871 /nfs/dbraw/zinc/39/28/71/823392871.db2.gz BROOQQFLMZVKKX-KNQAVFIVSA-N 1 0 380.532 4.058 20 0 GIADRO Cc1ccccc1COc1cccc(CC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000122678229 823392898 /nfs/dbraw/zinc/39/28/98/823392898.db2.gz BROOQQFLMZVKKX-DENIHFKCSA-N 1 0 380.532 4.058 20 0 GIADRO CC[C@H](CNC(=O)c1oc2ccccc2c1C[NH+](C)C)Oc1ccccc1F ZINC000177181063 823393007 /nfs/dbraw/zinc/39/30/07/823393007.db2.gz YKSGAXIMMZTHSH-OAHLLOKOSA-N 1 0 384.451 4.221 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(N2CCCC2)nc1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000122678781 823393059 /nfs/dbraw/zinc/39/30/59/823393059.db2.gz LAJFSBNZMCRXLH-DVECYGJZSA-N 1 0 395.547 4.097 20 0 GIADRO CC1CC[NH+](Cc2ccc(CNC(=O)N3CC[C@@H](c4cccnc4)C3)cc2)CC1 ZINC000572755268 823393144 /nfs/dbraw/zinc/39/31/44/823393144.db2.gz CJVMCVSRCDZEDB-HSZRJFAPSA-N 1 0 392.547 4.013 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccc(F)cc1)c1ccc(OCC(F)(F)F)cc1 ZINC000122681049 823393296 /nfs/dbraw/zinc/39/32/96/823393296.db2.gz YQYUDUULEGFADA-KGLIPLIRSA-N 1 0 398.400 4.122 20 0 GIADRO Cc1cc(C)n(-c2ccccc2C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)n1 ZINC000189298081 823389690 /nfs/dbraw/zinc/38/96/90/823389690.db2.gz JBDVIBKPRNCRHO-UHFFFAOYSA-N 1 0 389.478 4.163 20 0 GIADRO c1ccc(C[N@H+]2CCC[C@@]3(CCN(c4nnc(CC5CC5)n4C4CC4)C3)C2)cc1 ZINC000572729809 823389889 /nfs/dbraw/zinc/38/98/89/823389889.db2.gz QGADJPRMHHMSHK-XMMPIXPASA-N 1 0 391.563 4.058 20 0 GIADRO C[C@@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1noc(-c2ccccc2)n1 ZINC000572731638 823390244 /nfs/dbraw/zinc/39/02/44/823390244.db2.gz BTIXHSBMJMEPNY-QGZVFWFLSA-N 1 0 390.487 4.214 20 0 GIADRO C[C@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1noc(-c2ccccc2)n1 ZINC000572731637 823390344 /nfs/dbraw/zinc/39/03/44/823390344.db2.gz BTIXHSBMJMEPNY-KRWDZBQOSA-N 1 0 390.487 4.214 20 0 GIADRO CC1(C)[NH2+]CC[C@@H]1NC(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000572732315 823390439 /nfs/dbraw/zinc/39/04/39/823390439.db2.gz VXEGLXYURZIYEO-SFHVURJKSA-N 1 0 380.517 4.149 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)c2nnc(-c3ccoc3)n2CCc2ccccc2)C[C@@H]1C ZINC000460453313 823394379 /nfs/dbraw/zinc/39/43/79/823394379.db2.gz ILZWTCLJEXDPHK-RXVVDRJESA-N 1 0 393.535 4.090 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCC1CCC(F)(F)CC1 ZINC000410109918 823394483 /nfs/dbraw/zinc/39/44/83/823394483.db2.gz RTIGCIQIDOQCBG-LPHOPBHVSA-N 1 0 379.495 4.022 20 0 GIADRO C[C@@H](NCc1cc(O)cc(C(F)(F)F)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000572767500 823395411 /nfs/dbraw/zinc/39/54/11/823395411.db2.gz OAZCCKBWYNKGIS-CRAIPNDOSA-N 1 0 378.438 4.411 20 0 GIADRO CCOc1ccc(C(=O)N2CCC([NH2+][C@@H](C)c3cccc(OC)c3)CC2)cc1 ZINC000177193113 823395631 /nfs/dbraw/zinc/39/56/31/823395631.db2.gz RYWOXZPTMBZCKR-KRWDZBQOSA-N 1 0 382.504 4.049 20 0 GIADRO CSC1(CNC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2Cl)CC[NH+](C)CC1 ZINC000572772051 823396103 /nfs/dbraw/zinc/39/61/03/823396103.db2.gz HTVICTLKASHFMZ-UONOGXRCSA-N 1 0 387.376 4.041 20 0 GIADRO CSC1(CNC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2Cl)CC[NH+](C)CC1 ZINC000572772052 823396198 /nfs/dbraw/zinc/39/61/98/823396198.db2.gz HTVICTLKASHFMZ-ZIAGYGMSSA-N 1 0 387.376 4.041 20 0 GIADRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)CCc2ccc(F)cc2F)CC1 ZINC000122699561 823396860 /nfs/dbraw/zinc/39/68/60/823396860.db2.gz WXSBDHDAQWRRJK-UHFFFAOYSA-N 1 0 386.486 4.268 20 0 GIADRO COC(C)(C)c1nc(C)c(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)s1 ZINC000572777332 823397164 /nfs/dbraw/zinc/39/71/64/823397164.db2.gz YCLSRFPWJWHUCW-KRWDZBQOSA-N 1 0 393.597 4.061 20 0 GIADRO COc1cc(OC)cc([C@@H]([NH2+][C@@H](C)CCc2ccccc2)c2nccn2C)c1 ZINC000177202811 823398305 /nfs/dbraw/zinc/39/83/05/823398305.db2.gz NVXLNIDSXZXFOZ-HTAPYJJXSA-N 1 0 379.504 4.138 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)on2)cc1 ZINC000058492105 823399309 /nfs/dbraw/zinc/39/93/09/823399309.db2.gz BDORVKCMINERCD-UHFFFAOYSA-N 1 0 385.851 4.188 20 0 GIADRO CC(=O)c1c(C)[nH]c(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1C(C)C ZINC000122721312 823400197 /nfs/dbraw/zinc/40/01/97/823400197.db2.gz BSFRYLQHILCWIV-UHFFFAOYSA-N 1 0 381.520 4.044 20 0 GIADRO Fc1ccc(Cn2cc(C[NH2+][C@H](C[C@@H]3CCOC3)c3ccccc3)cn2)cc1 ZINC000189360580 823400723 /nfs/dbraw/zinc/40/07/23/823400723.db2.gz UKIXHPSQCFXPCN-WMZHIEFXSA-N 1 0 379.479 4.328 20 0 GIADRO C[NH+]1CCC([C@@H]2CCN(C(=O)Nc3ccc(Oc4cccnc4)cc3)C2)CC1 ZINC000572798437 823400807 /nfs/dbraw/zinc/40/08/07/823400807.db2.gz BXCVBONVGQDIEB-GOSISDBHSA-N 1 0 380.492 4.070 20 0 GIADRO Cc1nc2c(s1)[C@@H]([NH2+]C[C@H](c1ccccc1Cl)N1CCOCC1)CCC2 ZINC000122725707 823401262 /nfs/dbraw/zinc/40/12/62/823401262.db2.gz JARPGACNYWECOU-PKOBYXMFSA-N 1 0 391.968 4.145 20 0 GIADRO COc1ccccc1C[C@@H]1CCC[N@@H+]1C[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000058525534 823403855 /nfs/dbraw/zinc/40/38/55/823403855.db2.gz GJMAESVGHJFOBS-WRALFONMSA-N 1 0 395.543 4.157 20 0 GIADRO COc1ccc(C[C@@](C)(O)C[NH2+][C@H](C)c2cc3c(s2)CCCC3)cc1OC ZINC000572805034 823402217 /nfs/dbraw/zinc/40/22/17/823402217.db2.gz DFIFTMPTMWULEZ-IVZQSRNASA-N 1 0 389.561 4.288 20 0 GIADRO C[C@H]1CN(c2ccc(C[NH2+][C@@H](c3ccccc3)c3ccc(F)cc3)cn2)CCO1 ZINC000177220174 823402502 /nfs/dbraw/zinc/40/25/02/823402502.db2.gz AOVNHJKDHANUEZ-UUOWRZLLSA-N 1 0 391.490 4.325 20 0 GIADRO CC(C)C[C@H](CNC(=O)c1cccc2c1CC(=O)CC2)[NH2+][C@H](C)c1ccccc1 ZINC000572805904 823402472 /nfs/dbraw/zinc/40/24/72/823402472.db2.gz NGGIFGNEQBBZSF-WIYYLYMNSA-N 1 0 392.543 4.240 20 0 GIADRO COc1ccccc1C[C@@H]1CCC[N@@H+]1CCCc1nc(-c2cccs2)no1 ZINC000058525558 823403943 /nfs/dbraw/zinc/40/39/43/823403943.db2.gz BSVDMRHOJUZYTH-KRWDZBQOSA-N 1 0 383.517 4.446 20 0 GIADRO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000189375830 823403460 /nfs/dbraw/zinc/40/34/60/823403460.db2.gz YSJGXLGAQZDRNP-GFCCVEGCSA-N 1 0 395.812 4.247 20 0 GIADRO COc1ccc(C[C@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3ccc(Cl)cn3)C2)cc1 ZINC000572813588 823404222 /nfs/dbraw/zinc/40/42/22/823404222.db2.gz AQDWBGCCLUQUSD-NVXWUHKLSA-N 1 0 387.911 4.025 20 0 GIADRO CC(C)COc1cccc(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000058531056 823404835 /nfs/dbraw/zinc/40/48/35/823404835.db2.gz AAZNEPRAGFRMIV-UHFFFAOYSA-N 1 0 384.495 4.255 20 0 GIADRO Cc1cccc([C@H]2CCC[N@@H+]2CCc2nc3sc4c(c3c(N)n2)CCCC4)n1 ZINC000572827721 823406395 /nfs/dbraw/zinc/40/63/95/823406395.db2.gz FTPBELHEDHEMCB-QGZVFWFLSA-N 1 0 393.560 4.235 20 0 GIADRO CC(C)[NH+]1CCC(C(=O)NCC2(c3cc(F)cc(C(F)(F)F)c3)CC2)CC1 ZINC000189393033 823407187 /nfs/dbraw/zinc/40/71/87/823407187.db2.gz PYQARWAEVKNZRE-UHFFFAOYSA-N 1 0 386.433 4.113 20 0 GIADRO O=C(NCc1cc2ccccc2[nH]1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000058557104 823408805 /nfs/dbraw/zinc/40/88/05/823408805.db2.gz CLWPVQMNICAMBA-UHFFFAOYSA-N 1 0 376.504 4.153 20 0 GIADRO CC(C)(CNC(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21)[NH+]1CCCCC1 ZINC000058556788 823408837 /nfs/dbraw/zinc/40/88/37/823408837.db2.gz WUDNZIFZZKHAIL-SFHVURJKSA-N 1 0 395.494 4.229 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)c2cccc(OCc3cccc(Cl)c3)c2)CC[N@@H+]1C ZINC000122761410 823407614 /nfs/dbraw/zinc/40/76/14/823407614.db2.gz FILFWWYKEKXKSG-OXQOHEQNSA-N 1 0 386.923 4.474 20 0 GIADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccc(Br)c(F)c1 ZINC000177240386 823407698 /nfs/dbraw/zinc/40/76/98/823407698.db2.gz ASDZCSWAFFQLRE-UHFFFAOYSA-N 1 0 383.305 4.115 20 0 GIADRO O=C(Cc1csc(-c2cccs2)n1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177242286 823407999 /nfs/dbraw/zinc/40/79/99/823407999.db2.gz IAHZZVNNGITHJL-UHFFFAOYSA-N 1 0 389.590 4.327 20 0 GIADRO Clc1cccc(Cl)c1-c1nnc(C[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)o1 ZINC000572838568 823408155 /nfs/dbraw/zinc/40/81/55/823408155.db2.gz CODNQKHVWNYADT-WFASDCNBSA-N 1 0 382.291 4.434 20 0 GIADRO Cc1cc(C)n(Cc2cccc(C(=O)NC3CC[NH+](C4CCCCC4)CC3)c2)n1 ZINC000177242978 823408395 /nfs/dbraw/zinc/40/83/95/823408395.db2.gz GRAQJHSMTHDABE-UHFFFAOYSA-N 1 0 394.563 4.075 20 0 GIADRO Cc1cccc(O[C@H](C)C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)c1 ZINC000122768475 823408933 /nfs/dbraw/zinc/40/89/33/823408933.db2.gz FPDDQRQAMMTAAG-QGZVFWFLSA-N 1 0 386.923 4.310 20 0 GIADRO CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)c1ccc(Cl)c(Cl)c1 ZINC000572864806 823411207 /nfs/dbraw/zinc/41/12/07/823411207.db2.gz FXKLVSKFLDXXCD-IHBAFOEMSA-N 1 0 398.378 4.118 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccccc1-n1cccn1)c1ccc(N2CCOC2=O)cc1 ZINC000177257791 823411763 /nfs/dbraw/zinc/41/17/63/823411763.db2.gz LANIWSNLMXMIOH-SJORKVTESA-N 1 0 376.460 4.241 20 0 GIADRO COc1ccc(C[N@H+](C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c(C)c1OC ZINC000572886181 823413909 /nfs/dbraw/zinc/41/39/09/823413909.db2.gz CLTAQXOORASOHD-AVRDEDQJSA-N 1 0 382.548 4.497 20 0 GIADRO Cc1cc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)c(C)n1-c1nccs1 ZINC000177264195 823413953 /nfs/dbraw/zinc/41/39/53/823413953.db2.gz QOSOAFSKSBMZHT-UHFFFAOYSA-N 1 0 386.565 4.078 20 0 GIADRO O=C(CCCCCc1ccc(F)cc1)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000189424282 823412865 /nfs/dbraw/zinc/41/28/65/823412865.db2.gz HUDOZBIBZDYSLB-UHFFFAOYSA-N 1 0 390.543 4.080 20 0 GIADRO CS(=O)(=O)c1cccc(Cl)c1C[NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000572877987 823412945 /nfs/dbraw/zinc/41/29/45/823412945.db2.gz KPTWTQSJHGEDGO-DGCLKSJQSA-N 1 0 383.863 4.202 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)NCc2cc(OC)nc3ccccc23)cc1)C1CC1 ZINC000460511839 823413285 /nfs/dbraw/zinc/41/32/85/823413285.db2.gz YUDLUOQJIWDVAC-UHFFFAOYSA-N 1 0 389.499 4.158 20 0 GIADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H](c2ccco2)N(CC)CC)c2ccccc21 ZINC000572859541 823410285 /nfs/dbraw/zinc/41/02/85/823410285.db2.gz SEQLWRFBJLISQG-HKBOAZHASA-N 1 0 384.520 4.434 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCc3cc(F)cc(F)c3)cc2)C1 ZINC000410171950 823410269 /nfs/dbraw/zinc/41/02/69/823410269.db2.gz WZXCJIHLEUWLHU-INIZCTEOSA-N 1 0 387.474 4.196 20 0 GIADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)NCc1cc(F)cc(F)c1 ZINC000410172794 823410576 /nfs/dbraw/zinc/41/05/76/823410576.db2.gz FULMMJAPSBQYNO-UHFFFAOYSA-N 1 0 381.492 4.080 20 0 GIADRO CSC1(CNC(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)CC[NH+](C)CC1 ZINC000572887787 823414518 /nfs/dbraw/zinc/41/45/18/823414518.db2.gz VIGDANKZMXQBTN-HOTGVXAUSA-N 1 0 387.376 4.041 20 0 GIADRO CCN(Cc1ccccn1)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000177266512 823414672 /nfs/dbraw/zinc/41/46/72/823414672.db2.gz YAAHFINJWFCPPF-LJQANCHMSA-N 1 0 380.536 4.188 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@H](c2ccccc2)C2CCC2)cc1 ZINC000189435038 823415449 /nfs/dbraw/zinc/41/54/49/823415449.db2.gz OGOKFQDOBZWWSB-JOCHJYFZSA-N 1 0 393.531 4.125 20 0 GIADRO O=C(Cc1ccc(OC(F)(F)F)cc1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177269810 823416084 /nfs/dbraw/zinc/41/60/84/823416084.db2.gz CMXGGBICMXWQCN-UHFFFAOYSA-N 1 0 384.442 4.041 20 0 GIADRO CCC[N@@H+]1CC[C@H](CNC(=O)N(Cc2cccc(-c3cccnc3)c2)C2CC2)C1 ZINC000122811974 823416455 /nfs/dbraw/zinc/41/64/55/823416455.db2.gz UXVBESQHHPXFDQ-HXUWFJFHSA-N 1 0 392.547 4.155 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)N[C@H](Cc2ccccc2C(F)(F)F)C(C)(C)C)CC[N@@H+]1C ZINC000460525225 823419357 /nfs/dbraw/zinc/41/93/57/823419357.db2.gz IHJGHUJERQFULB-UWWQBHOKSA-N 1 0 399.501 4.445 20 0 GIADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCc1ccc(Cl)nc1 ZINC000122821015 823418110 /nfs/dbraw/zinc/41/81/10/823418110.db2.gz GPAIXOCVWKVLIG-LBPRGKRZSA-N 1 0 396.716 4.047 20 0 GIADRO FC(F)Oc1ccc(C[NH2+]CC2CCN(CC(F)(F)F)CC2)cc1Cl ZINC000189461338 823422147 /nfs/dbraw/zinc/42/21/47/823422147.db2.gz NZTMIIVCLJIXFM-UHFFFAOYSA-N 1 0 386.792 4.305 20 0 GIADRO CC(C)[C@H](C[NH2+][C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2)NC(=O)OC(C)(C)C ZINC000122846252 823422294 /nfs/dbraw/zinc/42/22/94/823422294.db2.gz IIICPFSMPOSNJB-KDOFPFPSSA-N 1 0 389.540 4.116 20 0 GIADRO CC[C@@H]([NH2+][C@H]1CCOc2c(C)cccc21)c1ccccc1OCC(=O)N(C)C ZINC000189464583 823422430 /nfs/dbraw/zinc/42/24/30/823422430.db2.gz NVVUMFMGVSTUDF-UXHICEINSA-N 1 0 382.504 4.027 20 0 GIADRO CCSc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000177291316 823422996 /nfs/dbraw/zinc/42/29/96/823422996.db2.gz YRBXYRLDMVNSQL-HZPDHXFCSA-N 1 0 392.590 4.461 20 0 GIADRO C[C@@H]([NH2+][C@@H](c1ccc(F)cc1)C1CCC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177292576 823423573 /nfs/dbraw/zinc/42/35/73/823423573.db2.gz ZJCARQBNOPBHDB-QVKFZJNVSA-N 1 0 390.524 4.268 20 0 GIADRO Cc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000572940630 823424366 /nfs/dbraw/zinc/42/43/66/823424366.db2.gz PKGNCYXPFZDKBW-UHFFFAOYSA-N 1 0 380.467 4.001 20 0 GIADRO O=C(NC1CC[NH+](CC2CCCC2)CC1)N(CCC(F)(F)F)CC1CC1 ZINC000177282175 823420340 /nfs/dbraw/zinc/42/03/40/823420340.db2.gz DBVJVYZWNBFANH-UHFFFAOYSA-N 1 0 375.479 4.015 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)N2CC[C@H](c3ccccc3)[C@@H]2C)CC1 ZINC000177283415 823420608 /nfs/dbraw/zinc/42/06/08/823420608.db2.gz WULHJMHNISIDDC-FPOVZHCZSA-N 1 0 392.547 4.238 20 0 GIADRO CC1(C)CN(C(=O)NC2CC[NH+](C3CCCC3)CC2)CC[C@H]1C(F)(F)F ZINC000189454869 823420620 /nfs/dbraw/zinc/42/06/20/823420620.db2.gz CFIVMEXXAGDYMX-MRXNPFEDSA-N 1 0 375.479 4.013 20 0 GIADRO O=C(Cc1cccc(OCc2ccccc2Cl)c1)NCCC[C@@H]1CCC[NH2+]1 ZINC000572952459 823425947 /nfs/dbraw/zinc/42/59/47/823425947.db2.gz SWMZOWNLBYZLDJ-IBGZPJMESA-N 1 0 386.923 4.110 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)CCCc1nc(-c2cccs2)no1 ZINC000177303026 823427093 /nfs/dbraw/zinc/42/70/93/823427093.db2.gz LGIFLUBSJZAEKW-UHFFFAOYSA-N 1 0 384.505 4.130 20 0 GIADRO CSc1ccccc1NC(=O)CC[NH2+][C@H]1c2ccccc2CC12CCOCC2 ZINC000572965780 823427183 /nfs/dbraw/zinc/42/71/83/823427183.db2.gz DQQGGRZDWUAQFZ-QFIPXVFZSA-N 1 0 396.556 4.421 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)CCCc1nc(-c2ccc(F)cc2)no1 ZINC000177304336 823427339 /nfs/dbraw/zinc/42/73/39/823427339.db2.gz FXVCJZSWCQXFPS-UHFFFAOYSA-N 1 0 396.466 4.207 20 0 GIADRO COc1cc(C[NH2+]Cc2cccc(CSC)c2)cc(Br)c1O ZINC000189485363 823427795 /nfs/dbraw/zinc/42/77/95/823427795.db2.gz VTDCUVWMIHYMBY-UHFFFAOYSA-N 1 0 382.323 4.316 20 0 GIADRO CCN(CCC[NH+]1CCCC1)C(=O)Nc1ccc(N(C)C)cc1C(F)(F)F ZINC000189488818 823428758 /nfs/dbraw/zinc/42/87/58/823428758.db2.gz URTUJGOHBVCFTM-UHFFFAOYSA-N 1 0 386.462 4.111 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)CCc1nc(-c2ccc(F)c(C)c2)no1 ZINC000177325695 823434388 /nfs/dbraw/zinc/43/43/88/823434388.db2.gz LQSPDBUKAXPBNQ-UHFFFAOYSA-N 1 0 396.466 4.125 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)CC(=O)Nc1cc(OC)ccc1OC)c1ccc(OC)cc1 ZINC000122892391 823429999 /nfs/dbraw/zinc/42/99/99/823429999.db2.gz WUKWXUSPVJRAKT-KXBFYZLASA-N 1 0 386.492 4.170 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N1CC[C@@](F)(c2ccccc2)C1 ZINC000572987869 823430700 /nfs/dbraw/zinc/43/07/00/823430700.db2.gz MKFKBCVNXDDYBI-QHCPKHFHSA-N 1 0 381.495 4.063 20 0 GIADRO C/C=C/c1ccc(OC[C@H](O)CNc2ccc3c(c2)CC[C@H]3[NH+](C)C)c(OC)c1 ZINC000572993838 823431014 /nfs/dbraw/zinc/43/10/14/823431014.db2.gz ZEINXDYXHFRZRN-GONYIKIESA-N 1 0 396.531 4.129 20 0 GIADRO Cc1ccccc1C(C)(C)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000058694643 823432948 /nfs/dbraw/zinc/43/29/48/823432948.db2.gz WCTHIKXPGUNWIQ-UHFFFAOYSA-N 1 0 379.548 4.442 20 0 GIADRO CCS[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cc2c(cc1Cl)OCCCO2 ZINC000189505557 823433071 /nfs/dbraw/zinc/43/30/71/823433071.db2.gz RQCWYXKGUDCSCV-RDTXWAMCSA-N 1 0 398.956 4.094 20 0 GIADRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)Nc1cccc(OCCF)c1 ZINC000122913831 823433288 /nfs/dbraw/zinc/43/32/88/823433288.db2.gz JPBIGCXCIGXYRV-MRXNPFEDSA-N 1 0 391.512 4.130 20 0 GIADRO COC(=O)[C@H](NCc1ccccc1C[N@@H+]1CCCC[C@H]1C)c1ccc(F)cc1 ZINC000573012157 823433324 /nfs/dbraw/zinc/43/33/24/823433324.db2.gz BNKKDARXWVEZEM-VGOFRKELSA-N 1 0 384.495 4.204 20 0 GIADRO O=C(Nc1ccccc1)[C@H]1CCC[N@@H+](Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000024804460 819879159 /nfs/dbraw/zinc/87/91/59/819879159.db2.gz NOWPUXMSNDMBRF-KRWDZBQOSA-N 1 0 379.435 4.331 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cccnc2-c2ccc(Cl)s2)C1 ZINC000189518436 823435871 /nfs/dbraw/zinc/43/58/71/823435871.db2.gz CGQPALCZVHDRJR-CYBMUJFWSA-N 1 0 378.929 4.269 20 0 GIADRO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)C1 ZINC000177332392 823436470 /nfs/dbraw/zinc/43/64/70/823436470.db2.gz DVZJLJQXDSJQRL-QGZVFWFLSA-N 1 0 386.540 4.059 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)c2cnn(-c3ccccc3F)c2C)c1 ZINC000024927330 819896593 /nfs/dbraw/zinc/89/65/93/819896593.db2.gz BDSPZJBVTBUJRO-UHFFFAOYSA-N 1 0 380.467 4.414 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2CCCCN2C(=O)c2cccs2)c1 ZINC000024927407 819896629 /nfs/dbraw/zinc/89/66/29/819896629.db2.gz YFPDPMANSHBXRS-IBGZPJMESA-N 1 0 399.560 4.223 20 0 GIADRO CC(C)OC1CC([NH2+]CC2(c3cccc(Br)c3)CCOCC2)C1 ZINC000189521989 823436810 /nfs/dbraw/zinc/43/68/10/823436810.db2.gz BNKZYMMCFUYFSE-UHFFFAOYSA-N 1 0 382.342 4.043 20 0 GIADRO Cc1ccc(C)n1-c1nc(CC(=O)Nc2cc(C[NH+](C)C)ccc2C)cs1 ZINC000177333962 823437492 /nfs/dbraw/zinc/43/74/92/823437492.db2.gz YLVHCBRVHGAXKX-UHFFFAOYSA-N 1 0 382.533 4.102 20 0 GIADRO CCOc1cccc2cc([C@@H](C)[NH2+]Cc3cc(=O)oc4cc(O)ccc34)oc21 ZINC000177334474 823437694 /nfs/dbraw/zinc/43/76/94/823437694.db2.gz WGPQUZCHENKKEO-CYBMUJFWSA-N 1 0 379.412 4.494 20 0 GIADRO CCN(CCC[NH+]1CCCC1)C(=O)Nc1cccc(NC(=O)OCC(C)C)c1 ZINC000189528071 823437867 /nfs/dbraw/zinc/43/78/67/823437867.db2.gz WOZVBFWOYMVKRP-UHFFFAOYSA-N 1 0 390.528 4.231 20 0 GIADRO C[C@H](NC(C)(C)C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC000177335339 823438103 /nfs/dbraw/zinc/43/81/03/823438103.db2.gz KMZNAXNSDDOIQL-KRWDZBQOSA-N 1 0 375.557 4.105 20 0 GIADRO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)C[C@@H](C)c1cccc(Cl)c1 ZINC000189540921 823440631 /nfs/dbraw/zinc/44/06/31/823440631.db2.gz HKNUZYPEEPPTJR-OAHLLOKOSA-N 1 0 387.911 4.363 20 0 GIADRO COc1ccc(-c2cc(C(=O)N3CC[NH+](C(C)C)CC3)c3ccccc3n2)cc1 ZINC000025136589 819934441 /nfs/dbraw/zinc/93/44/41/819934441.db2.gz KYNYTPJUHFTNFR-UHFFFAOYSA-N 1 0 389.499 4.077 20 0 GIADRO Cc1cc(C)cc(OCC[N@H+](Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)c1 ZINC000025185222 819940699 /nfs/dbraw/zinc/94/06/99/819940699.db2.gz FGNNUJFCEIQDEY-UHFFFAOYSA-N 1 0 378.516 4.239 20 0 GIADRO CNC(=O)c1ccc(C[N@H+](CCOc2ccc(Cl)cc2Cl)C2CC2)cc1 ZINC000025189909 819940754 /nfs/dbraw/zinc/94/07/54/819940754.db2.gz AJQJTNMPPUHRDW-UHFFFAOYSA-N 1 0 393.314 4.396 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)CSc3cc(C)ccc3C)c(C)c2)CC1 ZINC000025184913 819940774 /nfs/dbraw/zinc/94/07/74/819940774.db2.gz OXPUKEMWEZIJCF-UHFFFAOYSA-N 1 0 397.588 4.485 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)CSc3ccccc3C)c(C)c2)CC1 ZINC000025185971 819940816 /nfs/dbraw/zinc/94/08/16/819940816.db2.gz HIASRQCIEIBQLH-UHFFFAOYSA-N 1 0 383.561 4.176 20 0 GIADRO O=C(NC1CC1)c1ccc(C[N@@H+](CCCOc2ccc(F)cc2)C2CC2)cc1 ZINC000025185380 819940850 /nfs/dbraw/zinc/94/08/50/819940850.db2.gz SDHUTKZBQTYEBS-UHFFFAOYSA-N 1 0 382.479 4.151 20 0 GIADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)CCc1ncc(-c2ccccc2Cl)o1 ZINC000573053267 823440915 /nfs/dbraw/zinc/44/09/15/823440915.db2.gz NVVVUKCIVRJVHR-OAHLLOKOSA-N 1 0 377.916 4.164 20 0 GIADRO CCOc1ccc(/C=N/C[C@@H](c2ccc(OC)cc2)[NH+]2CCCCC2)c(O)c1 ZINC000025258290 819952105 /nfs/dbraw/zinc/95/21/05/819952105.db2.gz NNSQWWRRQSSXNI-OLCUMFGGSA-N 1 0 382.504 4.446 20 0 GIADRO Cn1c2ccccc2c2cc(C(=O)NC[C@@H](c3ccsc3)[NH+](C)C)sc21 ZINC000025328885 819963161 /nfs/dbraw/zinc/96/31/61/819963161.db2.gz MVMGNHAGMABVCK-KRWDZBQOSA-N 1 0 383.542 4.487 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1cccc(NC(=O)c2cccs2)c1)c1ccsc1 ZINC000025330699 819963752 /nfs/dbraw/zinc/96/37/52/819963752.db2.gz RIYAJWQJBMIYLU-QGZVFWFLSA-N 1 0 399.541 4.095 20 0 GIADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)N(C2CC2)C2CCC(CC)CC2)[C@@H](C)C1 ZINC000410279527 823446331 /nfs/dbraw/zinc/44/63/31/823446331.db2.gz OUMOXRDDHZHBPY-HKEJHHQYSA-N 1 0 393.616 4.266 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)CSc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000025402587 819976387 /nfs/dbraw/zinc/97/63/87/819976387.db2.gz XTTRGRHPDNGUJL-KRWDZBQOSA-N 1 0 382.451 4.217 20 0 GIADRO Cn1ncc(NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)c1-c1ccccc1 ZINC000573063928 823443016 /nfs/dbraw/zinc/44/30/16/823443016.db2.gz HHTPUFCDUUCUNR-HXUWFJFHSA-N 1 0 375.476 4.280 20 0 GIADRO Cc1nc2cc(F)ccc2cc1C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000025463758 819986013 /nfs/dbraw/zinc/98/60/13/819986013.db2.gz HUKZZKWEKARXAP-UHFFFAOYSA-N 1 0 391.490 4.249 20 0 GIADRO C[C@H](Oc1ccccc1Cl)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000025465172 819986628 /nfs/dbraw/zinc/98/66/28/819986628.db2.gz KNPHPUBQGWZEKH-INIZCTEOSA-N 1 0 386.923 4.060 20 0 GIADRO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2C(F)(F)F)[C@@H]1c1ccccc1 ZINC000189557971 823443692 /nfs/dbraw/zinc/44/36/92/823443692.db2.gz MAEBPHGQTCNQHE-SJORKVTESA-N 1 0 381.373 4.411 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1nc(C(C)C)n(-c2ccccc2F)n1 ZINC000177359075 823444565 /nfs/dbraw/zinc/44/45/65/823444565.db2.gz OVKOJUOCFYZUQN-UHFFFAOYSA-N 1 0 395.482 4.152 20 0 GIADRO Cc1oc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)nc1C1CC1 ZINC000573077566 823444658 /nfs/dbraw/zinc/44/46/58/823444658.db2.gz FLOHXEUESLHRSF-GOSISDBHSA-N 1 0 382.508 4.283 20 0 GIADRO O=C(NCCc1ccc(F)c(F)c1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000189563279 823444807 /nfs/dbraw/zinc/44/48/07/823444807.db2.gz AZGHIIOTEKGWAR-IHWFROFDSA-N 1 0 399.485 4.002 20 0 GIADRO Cc1ncsc1CN(CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F ZINC000573079236 823444926 /nfs/dbraw/zinc/44/49/26/823444926.db2.gz SWIFRTQVKVSJIB-HNNXBMFYSA-N 1 0 378.847 4.073 20 0 GIADRO Cn1cnnc1C1CC[NH+](Cc2cnn(C3CCCC3)c2-c2ccccc2)CC1 ZINC000573080626 823445281 /nfs/dbraw/zinc/44/52/81/823445281.db2.gz CPGYATILZPVAJV-UHFFFAOYSA-N 1 0 390.535 4.173 20 0 GIADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000122964831 823440879 /nfs/dbraw/zinc/44/08/79/823440879.db2.gz JQNAFJHPKAUONI-LEWJYISDSA-N 1 0 397.519 4.196 20 0 GIADRO CCOCc1nnc(N(CC)[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)n1CC(C)C ZINC000460592717 823448037 /nfs/dbraw/zinc/44/80/37/823448037.db2.gz VDDOSYCUWACKSJ-FPOVZHCZSA-N 1 0 399.583 4.132 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cc2cc(OC)ccc2nc1C ZINC000025969567 820045125 /nfs/dbraw/zinc/04/51/25/820045125.db2.gz CCNBTZSXRGOEHW-UHFFFAOYSA-N 1 0 391.515 4.324 20 0 GIADRO CC(C)Oc1ccc2ccccc2c1C[NH+]1CCC([C@@H]2NC(=O)C2(C)C)CC1 ZINC000573106982 823448718 /nfs/dbraw/zinc/44/87/18/823448718.db2.gz ZRAKFCVXOYQTSA-QFIPXVFZSA-N 1 0 380.532 4.364 20 0 GIADRO COc1ccc([C@@H](C)NC(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)cc1F ZINC000026165274 820065438 /nfs/dbraw/zinc/06/54/38/820065438.db2.gz SIXKQSUEGXDHSV-MRXNPFEDSA-N 1 0 399.510 4.031 20 0 GIADRO C[C@H](CNC(=O)N(C)Cc1ccc2ccccc2c1)[N@@H+]1CCc2ccccc2C1 ZINC000026175556 820067016 /nfs/dbraw/zinc/06/70/16/820067016.db2.gz NFEWZMXVUNEVEY-LJQANCHMSA-N 1 0 387.527 4.428 20 0 GIADRO C[C@H](CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C)c1c[nH]c2ccccc21 ZINC000573128137 823450876 /nfs/dbraw/zinc/45/08/76/823450876.db2.gz CETIQRGVMWAOAL-JBYIUTFZSA-N 1 0 375.516 4.441 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)C(C)(C)c1ccccc1C)[NH+]1CCCC1 ZINC000058782529 823451027 /nfs/dbraw/zinc/45/10/27/823451027.db2.gz ODEGWEOJHJQSOC-NRFANRHFSA-N 1 0 380.532 4.235 20 0 GIADRO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H](c2ccco2)N(C)C)o1 ZINC000026306678 820080736 /nfs/dbraw/zinc/08/07/36/820080736.db2.gz HZXOSZOKNXWAPU-FQEVSTJZSA-N 1 0 390.487 4.426 20 0 GIADRO COc1ccc(C(=O)Nc2cccc(CNCC3([NH+](C)C)CCCCC3)c2)cc1 ZINC000026308121 820080974 /nfs/dbraw/zinc/08/09/74/820080974.db2.gz RIFWWGBHAPBVLK-UHFFFAOYSA-N 1 0 395.547 4.302 20 0 GIADRO COc1cc2c(cc1C[NH2+][C@@H](c1ccc3c(c1)OCCO3)C(C)C)O[C@H](C)C2 ZINC000026313004 820081351 /nfs/dbraw/zinc/08/13/51/820081351.db2.gz RUUKDUPDFUVWPB-IQMFZBJNSA-N 1 0 383.488 4.277 20 0 GIADRO COc1cc2c(cc1C[NH2+][C@@H](c1ccc3c(c1)OCCO3)C(C)C)O[C@@H](C)C2 ZINC000026313008 820081575 /nfs/dbraw/zinc/08/15/75/820081575.db2.gz RUUKDUPDFUVWPB-NPMXOYFQSA-N 1 0 383.488 4.277 20 0 GIADRO COc1ccc(C2(C(=O)NC[C@@H](C)[N@@H+]3CCc4ccccc4C3)CCCC2)cc1 ZINC000058795097 823453556 /nfs/dbraw/zinc/45/35/56/823453556.db2.gz DWZYOIQKYDXGBX-LJQANCHMSA-N 1 0 392.543 4.070 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1ccc(C(F)(F)F)nc1 ZINC000026350200 820087629 /nfs/dbraw/zinc/08/76/29/820087629.db2.gz HEDBICLWHSRJFR-UHFFFAOYSA-N 1 0 377.410 4.016 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)/C=C/c1ccc(Cl)s1 ZINC000026567766 820115296 /nfs/dbraw/zinc/11/52/96/820115296.db2.gz FGSJPMCHYKTXHF-VMPITWQZSA-N 1 0 375.925 4.114 20 0 GIADRO Cc1ccccc1[C@H](OC[C@@H](O)C[N@@H+]1CCC(F)(F)[C@H](C)C1)c1ccccc1 ZINC000573142663 823454534 /nfs/dbraw/zinc/45/45/34/823454534.db2.gz FIUMTYRJOIWREK-KAGYGMCKSA-N 1 0 389.486 4.439 20 0 GIADRO CCN(CCC[NH+]1CCCC1)C(=O)Nc1ccc(C)c(NC(=O)C(C)(C)C)c1 ZINC000189594819 823454539 /nfs/dbraw/zinc/45/45/39/823454539.db2.gz MNRMXBCQZRMSLU-UHFFFAOYSA-N 1 0 388.556 4.319 20 0 GIADRO CCOc1cccc(C[NH2+]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)c1OC(F)F ZINC000189597948 823454844 /nfs/dbraw/zinc/45/48/44/823454844.db2.gz WPOBIMOBBRMUGN-GUYCJALGSA-N 1 0 397.384 4.260 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1sc(C(C)(C)OC)nc1C ZINC000573144269 823454958 /nfs/dbraw/zinc/45/49/58/823454958.db2.gz XWUXBQPYUIQNTJ-UHFFFAOYSA-N 1 0 389.565 4.057 20 0 GIADRO CCCCOc1cc(C[NH+]2CCC(NC(=O)c3ccccc3)CC2)ccc1OC ZINC000123061994 823455377 /nfs/dbraw/zinc/45/53/77/823455377.db2.gz NJWJQWSKALLYRO-UHFFFAOYSA-N 1 0 396.531 4.269 20 0 GIADRO CC(C)[NH+]1CCN(c2nc(-c3cccnc3)nc3sc4c(c32)CCCC4)CC1 ZINC000026712282 820135824 /nfs/dbraw/zinc/13/58/24/820135824.db2.gz BMIBEPJECHBQHX-UHFFFAOYSA-N 1 0 393.560 4.163 20 0 GIADRO COC(=O)[C@H](C)[C@@H]([NH2+]CC(=O)Nc1c(C)cccc1C(C)C)c1ccccc1 ZINC000177409794 823455569 /nfs/dbraw/zinc/45/55/69/823455569.db2.gz AMVOLDMUGUOFDS-VGOFRKELSA-N 1 0 382.504 4.197 20 0 GIADRO O=C(NC1CC[NH+](Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000123060821 823455571 /nfs/dbraw/zinc/45/55/71/823455571.db2.gz LLDJNBYBPQRKIB-UHFFFAOYSA-N 1 0 394.906 4.125 20 0 GIADRO O=C(NC1CC[NH+](Cc2cnc(-c3ccsc3)s2)CC1)c1ccccc1 ZINC000123065121 823455838 /nfs/dbraw/zinc/45/58/38/823455838.db2.gz ODKAUALSPMXDRP-UHFFFAOYSA-N 1 0 383.542 4.266 20 0 GIADRO COc1c(Br)cccc1C[NH2+]C[C@@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000189601378 823455962 /nfs/dbraw/zinc/45/59/62/823455962.db2.gz HCHBXLQCHACVMU-IUODEOHRSA-N 1 0 396.247 4.031 20 0 GIADRO COC(=O)[C@H](C)[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1Cl)c1ccccc1 ZINC000177412279 823456378 /nfs/dbraw/zinc/45/63/78/823456378.db2.gz DTLJLJVMJQMRSH-XIKOKIGWSA-N 1 0 395.286 4.072 20 0 GIADRO CC[NH+](CC)CC(=O)Nc1cc(C(F)(F)F)ccc1NC(=O)OC(C)(C)C ZINC000058810523 823456613 /nfs/dbraw/zinc/45/66/13/823456613.db2.gz VMPOSGGRBSCXBJ-UHFFFAOYSA-N 1 0 389.418 4.333 20 0 GIADRO CCCOc1ccc(C[NH+]2CCC(NC(=O)c3ccccc3)CC2)cc1OCC ZINC000123069728 823456767 /nfs/dbraw/zinc/45/67/67/823456767.db2.gz XVAIRBZERZZNER-UHFFFAOYSA-N 1 0 396.531 4.269 20 0 GIADRO CC(C)Cn1ncc(C(=O)N2C[C@H]3CCC[N@@H+]3Cc3ccccc32)c1C(F)F ZINC000123070771 823456795 /nfs/dbraw/zinc/45/67/95/823456795.db2.gz GQVDLGADIPRDJH-MRXNPFEDSA-N 1 0 388.462 4.102 20 0 GIADRO CC[NH+](CC)CC(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)c(Cl)c1 ZINC000058812562 823456926 /nfs/dbraw/zinc/45/69/26/823456926.db2.gz RJUVSPIEDIJPSH-UHFFFAOYSA-N 1 0 379.932 4.025 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(CSC)cc3)c(C)c2)CC1 ZINC000026909509 820163155 /nfs/dbraw/zinc/16/31/55/820163155.db2.gz VYROMGKAILYYEH-UHFFFAOYSA-N 1 0 383.561 4.252 20 0 GIADRO Cc1cccc(N2CC[NH+](CCCCNC(=O)c3ccc(Cl)s3)CC2)c1 ZINC000026954305 820168830 /nfs/dbraw/zinc/16/88/30/820168830.db2.gz CZXABEGJJLRSAX-UHFFFAOYSA-N 1 0 391.968 4.042 20 0 GIADRO Cc1cc(-c2nnc(N3CCC[C@@H]([NH+]4CCCC4)CC3)n2CC(C)C)c(C)o1 ZINC000460619566 823457876 /nfs/dbraw/zinc/45/78/76/823457876.db2.gz FCOVLKBDCFKKLD-LJQANCHMSA-N 1 0 385.556 4.266 20 0 GIADRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1cc(C2CC2)nc2ccc(F)cc21 ZINC000177418294 823457922 /nfs/dbraw/zinc/45/79/22/823457922.db2.gz IQLRLWNGMKJUDQ-UHFFFAOYSA-N 1 0 381.495 4.388 20 0 GIADRO COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+][C@H](C)C(=O)Nc2cc(C)no2)cc1 ZINC000123077144 823458144 /nfs/dbraw/zinc/45/81/44/823458144.db2.gz APXAIKHKINQZGQ-FOIQADDNSA-N 1 0 397.450 4.031 20 0 GIADRO Cc1nc(-c2cccs2)sc1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000177420320 823458572 /nfs/dbraw/zinc/45/85/72/823458572.db2.gz JDVOKKPYDMXWTF-UHFFFAOYSA-N 1 0 375.563 4.317 20 0 GIADRO C[C@@](O)(C[NH+]1CCC(c2nc3cc(Cl)ccc3s2)CC1)C(F)(F)F ZINC000410308510 823458807 /nfs/dbraw/zinc/45/88/07/823458807.db2.gz WXPRKVYYLPGLAY-OAHLLOKOSA-N 1 0 378.847 4.442 20 0 GIADRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)N1CCC(c2ccccc2)CC1 ZINC000410311421 823459711 /nfs/dbraw/zinc/45/97/11/823459711.db2.gz VWRAKQIIVJBDOV-UHFFFAOYSA-N 1 0 391.559 4.283 20 0 GIADRO O[C@]1(C[NH2+]Cc2cnc(-c3cccs3)s2)CCC[C@@H](C(F)(F)F)C1 ZINC000189619543 823460034 /nfs/dbraw/zinc/46/00/34/823460034.db2.gz ARAFATFAPKEGSA-IAQYHMDHSA-N 1 0 376.469 4.445 20 0 GIADRO Cc1ccccc1NC(=S)C(C(=O)c1ccc2c(c1)OCO2)[n+]1ccccc1 ZINC000027095251 820193856 /nfs/dbraw/zinc/19/38/56/820193856.db2.gz SHXUPBVEWLEGNF-UHFFFAOYSA-O 1 0 391.472 4.062 20 0 GIADRO CC[C@@H](C[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1)N1CCc2ccccc2C1 ZINC000123089682 823460572 /nfs/dbraw/zinc/46/05/72/823460572.db2.gz UJTVYSIPXGPPIJ-AVRDEDQJSA-N 1 0 393.531 4.131 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCCCc2ccccc21)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000177430099 823460595 /nfs/dbraw/zinc/46/05/95/823460595.db2.gz IQZXCLQWVHEIFD-GAJHUEQPSA-N 1 0 378.516 4.462 20 0 GIADRO O=C(CCN1CC[NH+](C2CCCC2)CC1)Nc1ccccc1-c1ccccc1 ZINC000027120191 820195805 /nfs/dbraw/zinc/19/58/05/820195805.db2.gz TXKKGRIXKZAYNG-UHFFFAOYSA-N 1 0 377.532 4.242 20 0 GIADRO Cc1cc(C(=O)NC2CC[NH+](CC(C)C)CC2)cc(C)c1OCc1cccnc1 ZINC000058831007 823460655 /nfs/dbraw/zinc/46/06/55/823460655.db2.gz PQQCULHOGDTXHQ-UHFFFAOYSA-N 1 0 395.547 4.128 20 0 GIADRO C[C@H](C1CC1)n1cc(NC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)cn1 ZINC000189639034 823464930 /nfs/dbraw/zinc/46/49/30/823464930.db2.gz OCDLXWNDGXMPBU-OAHLLOKOSA-N 1 0 389.931 4.103 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@H](C)C(=O)N(C)C(C)C)ccc1OCc1ccccc1 ZINC000177432673 823460854 /nfs/dbraw/zinc/46/08/54/823460854.db2.gz XTEFHPXRDALFQE-QZTJIDSGSA-N 1 0 384.520 4.180 20 0 GIADRO COc1ccc(OC)c(CCC(=O)Nc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000027142304 820200737 /nfs/dbraw/zinc/20/07/37/820200737.db2.gz FRGPMLMSPNEYRE-UHFFFAOYSA-N 1 0 382.504 4.261 20 0 GIADRO O=C(C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O)Nc1ccc(Oc2ccccc2)cc1 ZINC000573177088 823461141 /nfs/dbraw/zinc/46/11/41/823461141.db2.gz WPQQDXIPDLIBBW-BHDDXSALSA-N 1 0 380.488 4.043 20 0 GIADRO COc1ccc(C(=O)C(C(=S)Nc2ccccc2F)[n+]2ccc(C)cc2)cc1 ZINC000027161927 820203438 /nfs/dbraw/zinc/20/34/38/820203438.db2.gz MIAJIQFHRMCDAD-UHFFFAOYSA-O 1 0 395.479 4.481 20 0 GIADRO O=C(C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O)Nc1ccc(Oc2ccccc2)cc1 ZINC000573177087 823461233 /nfs/dbraw/zinc/46/12/33/823461233.db2.gz WPQQDXIPDLIBBW-BDTNDASRSA-N 1 0 380.488 4.043 20 0 GIADRO O=C(Nc1ccnn1C1CCCCC1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000123097399 823461832 /nfs/dbraw/zinc/46/18/32/823461832.db2.gz AWTJINLDJWAMGG-UHFFFAOYSA-N 1 0 399.514 4.314 20 0 GIADRO N#CCCN(C(=O)C[N@H+]1CCC[C@@H]1COc1ccc(Cl)cc1)c1ccccc1 ZINC000027237382 820214182 /nfs/dbraw/zinc/21/41/82/820214182.db2.gz GXAYDZMVRKPIQT-HXUWFJFHSA-N 1 0 397.906 4.130 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)Nc1ccccc1N1CCCCC1 ZINC000058851501 823461988 /nfs/dbraw/zinc/46/19/88/823461988.db2.gz UUWVRLOPTRYILB-HXUWFJFHSA-N 1 0 382.508 4.229 20 0 GIADRO O[C@@]1(C[NH2+]Cc2ccccc2OCc2cccnc2)CCC[C@H](C(F)(F)F)C1 ZINC000189629230 823462445 /nfs/dbraw/zinc/46/24/45/823462445.db2.gz AZMNKZAIZUTLRM-ICSRJNTNSA-N 1 0 394.437 4.234 20 0 GIADRO Cc1cc(OCCCC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)ccc1Cl ZINC000027334020 820226039 /nfs/dbraw/zinc/22/60/39/820226039.db2.gz JWOHZJFWSFXQAO-IBGZPJMESA-N 1 0 390.911 4.354 20 0 GIADRO COc1cccc([C@@H](CNC(=O)c2csc3c2CCCC3)[NH+]2CCCC2)c1 ZINC000027340459 820226976 /nfs/dbraw/zinc/22/69/76/820226976.db2.gz SYMKKDWRIXFQBN-HXUWFJFHSA-N 1 0 384.545 4.202 20 0 GIADRO COc1cccc([C@@H](CNC(=O)CCCOc2ccc(C)cc2)[NH+]2CCCC2)c1 ZINC000027340916 820227883 /nfs/dbraw/zinc/22/78/83/820227883.db2.gz MAMMPAMNCKAOAG-HSZRJFAPSA-N 1 0 396.531 4.116 20 0 GIADRO Cc1ccc(C(=O)NC2CC[NH+](C3CCCC3)CC2)cc1Oc1ccncc1 ZINC000177444603 823463137 /nfs/dbraw/zinc/46/31/37/823463137.db2.gz YRYYBFDBDZYKIA-UHFFFAOYSA-N 1 0 379.504 4.319 20 0 GIADRO Cc1nc(CSc2ccc(C(=O)N[C@H]3CCC[C@H]([NH+](C)C)C3)cc2)cs1 ZINC000177444327 823463145 /nfs/dbraw/zinc/46/31/45/823463145.db2.gz OKBRGEWACWOQGY-WMZOPIPTSA-N 1 0 389.590 4.346 20 0 GIADRO C[NH+](C)C1(CNC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)CCCCC1 ZINC000027391765 820238436 /nfs/dbraw/zinc/23/84/36/820238436.db2.gz LAXOWIKOSFQJCB-UHFFFAOYSA-N 1 0 389.927 4.308 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000189634586 823463472 /nfs/dbraw/zinc/46/34/72/823463472.db2.gz XDIZAOYGUWOFIQ-QFBILLFUSA-N 1 0 381.442 4.062 20 0 GIADRO CC(C)(C(=O)NC1CC[NH+](C2CCCC2)CC1)c1cccc(Br)c1 ZINC000177450895 823465243 /nfs/dbraw/zinc/46/52/43/823465243.db2.gz QQDGEQKAKKVDFB-UHFFFAOYSA-N 1 0 393.369 4.250 20 0 GIADRO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@H]1C[C@H](C(C)C)c2ccccc21 ZINC000573193309 823463904 /nfs/dbraw/zinc/46/39/04/823463904.db2.gz BDOLUUJRAGVUGN-PUHATCMVSA-N 1 0 375.516 4.299 20 0 GIADRO CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000460645444 823465273 /nfs/dbraw/zinc/46/52/73/823465273.db2.gz FQIBNRIAJVPJLZ-BBRMVZONSA-N 1 0 377.426 4.239 20 0 GIADRO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH2+]CC1(c2ccccc2Cl)CCOCC1 ZINC000177447535 823464116 /nfs/dbraw/zinc/46/41/16/823464116.db2.gz HJEZSRNETXQKTP-QZTJIDSGSA-N 1 0 392.971 4.157 20 0 GIADRO CCCC(=O)Nc1cccc(C[NH2+]Cc2cn(C)nc2-c2ccc(F)cc2)c1 ZINC000573195426 823464276 /nfs/dbraw/zinc/46/42/76/823464276.db2.gz FUYPRKVLSXCZLE-UHFFFAOYSA-N 1 0 380.467 4.255 20 0 GIADRO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)c1 ZINC000027506725 820254829 /nfs/dbraw/zinc/25/48/29/820254829.db2.gz CUXAAHISSVFYGX-CQSZACIVSA-N 1 0 393.472 4.391 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@H](c2cccs2)C2CC2)CC1 ZINC000410327465 823464464 /nfs/dbraw/zinc/46/44/64/823464464.db2.gz VFRKKTQXZQYEQD-NRFANRHFSA-N 1 0 383.561 4.471 20 0 GIADRO CC[NH2+]Cc1cccc(NC(=O)c2ccc(NC(=O)OCC(F)(F)F)cc2)c1 ZINC000123115361 823464539 /nfs/dbraw/zinc/46/45/39/823464539.db2.gz VQGJZZCHBQVVFY-UHFFFAOYSA-N 1 0 395.381 4.159 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)c1ccc(OC(C)C)cc1)[NH+]1CCCC1 ZINC000027570376 820260657 /nfs/dbraw/zinc/26/06/57/820260657.db2.gz VDOMXSSAOHSZGA-NRFANRHFSA-N 1 0 382.504 4.049 20 0 GIADRO C[C@H](Oc1ccc(F)cc1)C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000027573454 820261379 /nfs/dbraw/zinc/26/13/79/820261379.db2.gz HGXWDCQFYPLANE-QFBILLFUSA-N 1 0 390.524 4.244 20 0 GIADRO O=C(C[N@H+](Cc1ccc2c(c1)OCO2)C1CCCC1)Nc1cc(F)ccc1F ZINC000027574146 820261818 /nfs/dbraw/zinc/26/18/18/820261818.db2.gz GLLLAJGSNBABPN-UHFFFAOYSA-N 1 0 388.414 4.077 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)c1cccc(F)c1 ZINC000027590811 820264436 /nfs/dbraw/zinc/26/44/36/820264436.db2.gz JYKWFWPUMMBIHE-JOCHJYFZSA-N 1 0 379.479 4.219 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)c1cccc(F)c1 ZINC000027590806 820264560 /nfs/dbraw/zinc/26/45/60/820264560.db2.gz JYKWFWPUMMBIHE-QFIPXVFZSA-N 1 0 379.479 4.219 20 0 GIADRO Cc1nc(-c2cccs2)sc1C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000027592968 820264935 /nfs/dbraw/zinc/26/49/35/820264935.db2.gz MZOJBENQMFXDHG-OAHLLOKOSA-N 1 0 389.521 4.352 20 0 GIADRO Cc1ccc(Cl)c(OCC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000027602892 820265604 /nfs/dbraw/zinc/26/56/04/820265604.db2.gz PBXFUHFQRMRUFW-MRXNPFEDSA-N 1 0 378.925 4.042 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)Nc2ccc3ncsc3c2)CC1 ZINC000410332407 823465825 /nfs/dbraw/zinc/46/58/25/823465825.db2.gz KKMFZKQPTZBPFJ-UHFFFAOYSA-N 1 0 380.517 4.391 20 0 GIADRO O=C(CCC(=O)c1ccc2c(c1)CCC2)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000027607190 820266709 /nfs/dbraw/zinc/26/67/09/820266709.db2.gz XSQBCAMCUQLHOD-FQEVSTJZSA-N 1 0 396.556 4.153 20 0 GIADRO O=C(COc1ccc(Cl)cc1Cl)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000058881894 823466041 /nfs/dbraw/zinc/46/60/41/823466041.db2.gz LQYOYGVTCXZBDP-UHFFFAOYSA-N 1 0 399.362 4.487 20 0 GIADRO O=C(CCCOc1cccc(F)c1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000058881677 823466044 /nfs/dbraw/zinc/46/60/44/823466044.db2.gz RAEKXJHRZOSUFM-UHFFFAOYSA-N 1 0 376.516 4.099 20 0 GIADRO COCCSc1ccc([C@H](C)[NH2+][C@@H]2CCCN(CC(C)(C)C)C2=O)cc1 ZINC000460648465 823466141 /nfs/dbraw/zinc/46/61/41/823466141.db2.gz LQGNDEHBXLTXNY-QFBILLFUSA-N 1 0 378.582 4.113 20 0 GIADRO C[C@H](NC(=O)N[C@@H]1CCc2sc(Cl)cc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000460650284 823466780 /nfs/dbraw/zinc/46/67/80/823466780.db2.gz CFNQPYPKTVBRMI-WOSRLPQWSA-N 1 0 381.973 4.341 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Nc1cccc(OC(F)(F)F)c1)c1cccc(F)c1 ZINC000058890591 823467331 /nfs/dbraw/zinc/46/73/31/823467331.db2.gz ZYMBBFKOOLWWHB-INIZCTEOSA-N 1 0 385.361 4.149 20 0 GIADRO COc1cc(C[NH2+]Cc2ccc(C3OCCO3)cc2)ccc1OCCC(C)C ZINC000123130446 823467411 /nfs/dbraw/zinc/46/74/11/823467411.db2.gz TUBBQGIANASPPV-UHFFFAOYSA-N 1 0 385.504 4.455 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N(C)CCc2ccccc2)cc1 ZINC000410341615 823467617 /nfs/dbraw/zinc/46/76/17/823467617.db2.gz XOLHGJSZENEMGX-FQEVSTJZSA-N 1 0 379.548 4.445 20 0 GIADRO CC(C)c1oc([C@@H]2CCCN2C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)nc1-c1ccccc1 ZINC000573225382 823467751 /nfs/dbraw/zinc/46/77/51/823467751.db2.gz DVKNGTQDASPKAU-QRQLOZEOSA-N 1 0 396.535 4.439 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000573223517 823467850 /nfs/dbraw/zinc/46/78/50/823467850.db2.gz BEHFSAXMLMVOIK-CABCVRRESA-N 1 0 390.528 4.008 20 0 GIADRO COc1ccc([C@H]2CCCN2C(=O)C[N@H+](Cc2ccccc2)C(C)C)cc1OC ZINC000027931477 820298191 /nfs/dbraw/zinc/29/81/91/820298191.db2.gz ZTNZBSVRYDKPPJ-OAQYLSRUSA-N 1 0 396.531 4.278 20 0 GIADRO CC1CC[NH+](CCCNC(=O)COC(c2ccccc2)c2ccccc2)CC1 ZINC000028068420 820308986 /nfs/dbraw/zinc/30/89/86/820308986.db2.gz ZBZXRTYMPHWNHB-UHFFFAOYSA-N 1 0 380.532 4.031 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)N[C@@H](CO)c1ccccc1)C1CCCCC1 ZINC000123140615 823468904 /nfs/dbraw/zinc/46/89/04/823468904.db2.gz ZCOGXJGMMTZNPH-QFIPXVFZSA-N 1 0 381.520 4.306 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH+]2CCC(CCc3ccccc3)CC2)c1 ZINC000028120620 820312151 /nfs/dbraw/zinc/31/21/51/820312151.db2.gz ANPSQCRULFRBBO-SFHVURJKSA-N 1 0 393.531 4.317 20 0 GIADRO CC(C)OCCCNC(=O)C1CC[NH+](C[C@@H](C)c2cccc(Cl)c2)CC1 ZINC000189659700 823469473 /nfs/dbraw/zinc/46/94/73/823469473.db2.gz DVQARVSBXNHDOB-QGZVFWFLSA-N 1 0 380.960 4.087 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)Nc2ccccc2N(C)C)cc1 ZINC000410348113 823469788 /nfs/dbraw/zinc/46/97/88/823469788.db2.gz UUTZHDQCODUBTQ-SFHVURJKSA-N 1 0 380.536 4.449 20 0 GIADRO CC(=O)c1ccc(Oc2ccc(C(=O)N3CCC([NH2+]CC4CC4)CC3)cc2)cc1 ZINC000573246080 823469858 /nfs/dbraw/zinc/46/98/58/823469858.db2.gz PQMQBONUZHFBAG-UHFFFAOYSA-N 1 0 392.499 4.286 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)c1 ZINC000028337017 820326363 /nfs/dbraw/zinc/32/63/63/820326363.db2.gz AHWKRZMYBINLBE-STQMWFEESA-N 1 0 393.409 4.342 20 0 GIADRO COc1ccc([C@H](NC(=O)NCCC[N@@H+]2CCc3ccccc3C2)C(C)C)cc1 ZINC000028353731 820328565 /nfs/dbraw/zinc/32/85/65/820328565.db2.gz GPMPEHKFGHNRNV-HSZRJFAPSA-N 1 0 395.547 4.140 20 0 GIADRO CC[C@@H](C(=O)Nc1ccccc1C[N@@H+]1CCC[C@H](C(N)=O)C1)C1CCC(C)CC1 ZINC000460666330 823471598 /nfs/dbraw/zinc/47/15/98/823471598.db2.gz DSUHKEDVKHUCIZ-RRIIRSAJSA-N 1 0 399.579 4.175 20 0 GIADRO Cc1cc(/C=C(/C#N)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c(C)n1CCC(C)C ZINC000058919531 823470244 /nfs/dbraw/zinc/47/02/44/823470244.db2.gz KYMRYIRLBWRPHL-AMCKHAKVSA-N 1 0 396.579 4.145 20 0 GIADRO CC[C@@H](C(=O)Nc1ccccc1C[N@@H+]1CCC[C@@H](C(N)=O)C1)C1CCC(C)CC1 ZINC000460666328 823471644 /nfs/dbraw/zinc/47/16/44/823471644.db2.gz DSUHKEDVKHUCIZ-OWQMCBFZSA-N 1 0 399.579 4.175 20 0 GIADRO C[NH+](C)CCOc1cccc(CNC(=O)CCSc2ccc(Cl)cc2)c1 ZINC000058922665 823470622 /nfs/dbraw/zinc/47/06/22/823470622.db2.gz IVHSTDZDZBPDHI-UHFFFAOYSA-N 1 0 392.952 4.079 20 0 GIADRO C[NH+](C)CCOc1ccc(CNC(=O)CCSc2ccccc2Cl)cc1 ZINC000058921925 823470653 /nfs/dbraw/zinc/47/06/53/823470653.db2.gz PMICKGYEHGMRBN-UHFFFAOYSA-N 1 0 392.952 4.079 20 0 GIADRO Cc1cc(CCNC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)cc(C)c1O ZINC000189668147 823470953 /nfs/dbraw/zinc/47/09/53/823470953.db2.gz JLQKSTATAJIPLV-LJQANCHMSA-N 1 0 395.547 4.076 20 0 GIADRO COCCC1(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)CCC1 ZINC000123154701 823471016 /nfs/dbraw/zinc/47/10/16/823471016.db2.gz UNRUIKCVKXEBDG-KRWDZBQOSA-N 1 0 379.566 4.260 20 0 GIADRO C[C@H](CCCC(F)(F)F)NC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460681937 823477205 /nfs/dbraw/zinc/47/72/05/823477205.db2.gz TWBLZUZJGKDGAX-BHIYHBOVSA-N 1 0 397.485 4.271 20 0 GIADRO C[C@@H](CCc1ccco1)NC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000410357295 823472857 /nfs/dbraw/zinc/47/28/57/823472857.db2.gz DGMPIZWUMOQWQG-OALUTQOASA-N 1 0 383.536 4.475 20 0 GIADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)C1 ZINC000058971936 823477371 /nfs/dbraw/zinc/47/73/71/823477371.db2.gz YGUIKPZOAQNOBN-IAGOWNOFSA-N 1 0 380.960 4.372 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc(Br)cc1)C(=O)Nc1ccc(F)cc1F ZINC000028893764 820368445 /nfs/dbraw/zinc/36/84/45/820368445.db2.gz QSRQVVAXTHQAGA-GHMZBOCLSA-N 1 0 383.236 4.405 20 0 GIADRO C[N@H+](CCC(=O)Nc1cccc2ccccc21)Cc1cnn(-c2ccccc2)c1 ZINC000028901169 820370027 /nfs/dbraw/zinc/37/00/27/820370027.db2.gz PTYXOKULPIQHNV-UHFFFAOYSA-N 1 0 384.483 4.486 20 0 GIADRO COC(=O)c1cccc(NC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)c1 ZINC000410369361 823477338 /nfs/dbraw/zinc/47/73/38/823477338.db2.gz DSIJPVAXIGCIRD-QGZVFWFLSA-N 1 0 395.503 4.169 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)c1 ZINC000028918142 820372900 /nfs/dbraw/zinc/37/29/00/820372900.db2.gz CRJMLYTUTZCTRX-YVEFUNNKSA-N 1 0 397.302 4.042 20 0 GIADRO Cc1ccc(C)c(OC[C@@H](O)C[NH2+][C@H](C)c2ccccc2OC(F)F)c1C ZINC000028922097 820373251 /nfs/dbraw/zinc/37/32/51/820373251.db2.gz RUFWETKWALRNIX-SJORKVTESA-N 1 0 379.447 4.304 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H]3Cc4cc(Cl)ccc4O3)cc2)C1 ZINC000058948733 823474289 /nfs/dbraw/zinc/47/42/89/823474289.db2.gz OMLMMMXUQPBNFN-ZHRRBRCNSA-N 1 0 398.934 4.192 20 0 GIADRO C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+]1CCC(OCC2CCCC2)CC1 ZINC000177490897 823474718 /nfs/dbraw/zinc/47/47/18/823474718.db2.gz ZVBXQESNLVPOSV-YLJYHZDGSA-N 1 0 390.593 4.471 20 0 GIADRO COc1cc(Br)ccc1C[NH2+]Cc1ccc2c(c1)COC(C)(C)O2 ZINC000189686745 823475951 /nfs/dbraw/zinc/47/59/51/823475951.db2.gz ZWTRBZZOOOCVIV-UHFFFAOYSA-N 1 0 392.293 4.393 20 0 GIADRO CC(=O)c1c(C)cc(C)c(C[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)c1C ZINC000029140704 820398040 /nfs/dbraw/zinc/39/80/40/820398040.db2.gz DOBPXJJRJXFXMD-UHFFFAOYSA-N 1 0 394.515 4.371 20 0 GIADRO O=C(Cc1ccc(Cl)c(Cl)c1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000029177410 820406285 /nfs/dbraw/zinc/40/62/85/820406285.db2.gz INDKBYGXQKWKKE-LJQANCHMSA-N 1 0 377.315 4.489 20 0 GIADRO O=C(Cc1ccc(C(F)(F)F)cc1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000029179016 820406915 /nfs/dbraw/zinc/40/69/15/820406915.db2.gz RUWUOERINQJLER-LJQANCHMSA-N 1 0 376.422 4.201 20 0 GIADRO Cc1nc2ccccc2c(C)c1CC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000029179475 820407988 /nfs/dbraw/zinc/40/79/88/820407988.db2.gz WKRGJYUTSCNULZ-XMMPIXPASA-N 1 0 387.527 4.347 20 0 GIADRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)N(C)CC3CCCCC3)cc2)C[C@H](C)O1 ZINC000410368481 823476996 /nfs/dbraw/zinc/47/69/96/823476996.db2.gz UHEAVJNOZBOQCA-OALUTQOASA-N 1 0 387.568 4.018 20 0 GIADRO CCCCN(C)C[C@@H](C)[NH2+][C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000573292003 823476954 /nfs/dbraw/zinc/47/69/54/823476954.db2.gz KLDQOBYSMAVWII-QZTJIDSGSA-N 1 0 380.598 4.174 20 0 GIADRO COc1ccc(NC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)c(OC)c1 ZINC000410371234 823478265 /nfs/dbraw/zinc/47/82/65/823478265.db2.gz CSXAGTFSGHLHSP-KRWDZBQOSA-N 1 0 397.519 4.400 20 0 GIADRO CC(=O)c1cccc(OCCCC(=O)Nc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000058981649 823478412 /nfs/dbraw/zinc/47/84/12/823478412.db2.gz MYXGJOHSJZUKRV-UHFFFAOYSA-N 1 0 380.488 4.283 20 0 GIADRO C[C@H]1C[NH+](CCC2CCN(Cc3coc(-c4cccs4)n3)CC2)C[C@H](C)O1 ZINC000177506126 823478999 /nfs/dbraw/zinc/47/89/99/823478999.db2.gz VBMJQTQVYUEOGE-IRXDYDNUSA-N 1 0 389.565 4.114 20 0 GIADRO C[C@@H]1CN(C(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)C[C@@H](c2ccsc2)O1 ZINC000573308842 823479107 /nfs/dbraw/zinc/47/91/07/823479107.db2.gz KUVGIFXMQHMSNK-NQERJWCQSA-N 1 0 395.528 4.073 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)Nc3ccccc3N(C)C)cc2)C1 ZINC000410374494 823479669 /nfs/dbraw/zinc/47/96/69/823479669.db2.gz ZLSKRPGKFZDWSQ-SFHVURJKSA-N 1 0 380.536 4.306 20 0 GIADRO C[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(Oc3ccccn3)c2)[C@@H]1c1ccccc1 ZINC000189708255 823480082 /nfs/dbraw/zinc/48/00/82/823480082.db2.gz JWZHDQZLUAONIE-IRLDBZIGSA-N 1 0 388.471 4.441 20 0 GIADRO C[C@@H]1CCSCCN1C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000189711961 823480451 /nfs/dbraw/zinc/48/04/51/823480451.db2.gz GVXIREGQQYAAHO-DDUZABMNSA-N 1 0 399.963 4.009 20 0 GIADRO Cc1cc2oc(=O)cc(C[NH+]3CCC([C@H](O)c4ccccc4)CC3)c2cc1C ZINC000029476406 820460919 /nfs/dbraw/zinc/46/09/19/820460919.db2.gz JECZHBZMDNCMOI-XMMPIXPASA-N 1 0 377.484 4.355 20 0 GIADRO CC(C)c1nccn1Cc1cccc(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000177529970 823483658 /nfs/dbraw/zinc/48/36/58/823483658.db2.gz VWPIGLQKKBWNAS-FQEVSTJZSA-N 1 0 395.551 4.004 20 0 GIADRO CC[NH+]1CCC(NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)CC1 ZINC000029608500 820483793 /nfs/dbraw/zinc/48/37/93/820483793.db2.gz VFYBXTBUMBRQBD-UHFFFAOYSA-N 1 0 396.318 4.182 20 0 GIADRO Cc1ccc(-n2ncc(C(=O)NC[C@@H](c3ccsc3)[NH+](C)C)c2C(C)C)cc1 ZINC000029665700 820495844 /nfs/dbraw/zinc/49/58/44/820495844.db2.gz JXAORWXYJRDJOH-FQEVSTJZSA-N 1 0 396.560 4.398 20 0 GIADRO O=C(NCc1nc2ccccc2s1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000029677687 820496566 /nfs/dbraw/zinc/49/65/66/820496566.db2.gz MZINHYNIZUSZCD-UHFFFAOYSA-N 1 0 394.544 4.282 20 0 GIADRO C[C@@H]1CCc2[nH]c3ccc(C(=O)NC[C@@H](c4cccs4)[NH+](C)C)cc3c2C1 ZINC000029694532 820499427 /nfs/dbraw/zinc/49/94/27/820499427.db2.gz KGXCEARLTZFZHG-VLIAUNLRSA-N 1 0 381.545 4.387 20 0 GIADRO C[C@H](C1CC1)[N@H+](CC(=O)Nc1ccnn1Cc1cccs1)Cc1ccccc1 ZINC000059037360 823484177 /nfs/dbraw/zinc/48/41/77/823484177.db2.gz JDJPJLGIQUKHQD-QGZVFWFLSA-N 1 0 394.544 4.232 20 0 GIADRO C[N@@H+](Cc1cnc2ccccc2c1)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000410391092 823484306 /nfs/dbraw/zinc/48/43/06/823484306.db2.gz HBLCIOWWKJNDNK-GOSISDBHSA-N 1 0 390.405 4.125 20 0 GIADRO COc1ccc([C@@H](NC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)C2CC2)cc1 ZINC000029729066 820508145 /nfs/dbraw/zinc/50/81/45/820508145.db2.gz XCHFLDWPYQUOFN-GOTSBHOMSA-N 1 0 393.531 4.283 20 0 GIADRO C[C@@H]1c2cccn2CCN1C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000410393258 823484846 /nfs/dbraw/zinc/48/48/46/823484846.db2.gz OXXIVANAUZDPDH-RBUKOAKNSA-N 1 0 380.536 4.006 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)c2cccnc12 ZINC000029753116 820510658 /nfs/dbraw/zinc/51/06/58/820510658.db2.gz JOGZLLMSAPLQSR-UHFFFAOYSA-N 1 0 379.891 4.283 20 0 GIADRO Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)NCC[NH+](C(C)C)C(C)C ZINC000029753580 820510749 /nfs/dbraw/zinc/51/07/49/820510749.db2.gz XNXCTKUFMHRFQQ-UHFFFAOYSA-N 1 0 387.471 4.472 20 0 GIADRO Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000029758652 820511815 /nfs/dbraw/zinc/51/18/15/820511815.db2.gz VIVCWOGHEIDVTN-UHFFFAOYSA-N 1 0 399.482 4.475 20 0 GIADRO CC1(C)CC(NC(=O)Cc2csc(-c3ccccc3Cl)n2)CC(C)(C)[NH2+]1 ZINC000029787795 820519106 /nfs/dbraw/zinc/51/91/06/820519106.db2.gz FTFBYOBWSPDPKO-UHFFFAOYSA-N 1 0 391.968 4.431 20 0 GIADRO CC1(C)CC(NC(=O)CCCc2ccc(Br)s2)CC(C)(C)[NH2+]1 ZINC000029788010 820519280 /nfs/dbraw/zinc/51/92/80/820519280.db2.gz SGOTYUHFOVOFIA-UHFFFAOYSA-N 1 0 387.387 4.259 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc4c(cc(C)cc4C)[nH]3)cc2)CC1 ZINC000029798788 820521051 /nfs/dbraw/zinc/52/10/51/820521051.db2.gz XRJSRCLWTCTZBI-UHFFFAOYSA-N 1 0 376.504 4.179 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)c2cc3c(cc(C)cc3C)[nH]2)CC1 ZINC000029803889 820521867 /nfs/dbraw/zinc/52/18/67/820521867.db2.gz ZJJRXICXRRHEFU-UHFFFAOYSA-N 1 0 376.504 4.179 20 0 GIADRO O=c1cc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c2ccc(O)cc2o1 ZINC000029825409 820525624 /nfs/dbraw/zinc/52/56/24/820525624.db2.gz DCJMDWURIJJKLB-CQSZACIVSA-N 1 0 376.412 4.019 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)c3ccccc3OC3CC3)C2)s1 ZINC000573378684 823486345 /nfs/dbraw/zinc/48/63/45/823486345.db2.gz SJSFBYTXDMUAMM-KRWDZBQOSA-N 1 0 384.545 4.192 20 0 GIADRO Cc1ccccc1CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029830800 820528167 /nfs/dbraw/zinc/52/81/67/820528167.db2.gz ILKYEOPEWDCAPN-UYAOXDASSA-N 1 0 391.515 4.063 20 0 GIADRO C[C@H](C1CC1)[N@H+](CC(=O)Nc1cccc(N2CCCC2=O)c1)Cc1ccccc1 ZINC000029843742 820531422 /nfs/dbraw/zinc/53/14/22/820531422.db2.gz UYUKWKLTAPJNMI-GOSISDBHSA-N 1 0 391.515 4.053 20 0 GIADRO Clc1ccc(-c2ncc(C[N@@H+]3CCOCC4(CCOCC4)C3)s2)cc1 ZINC000573391400 823487383 /nfs/dbraw/zinc/48/73/83/823487383.db2.gz HMBCLOHLXCAEKT-UHFFFAOYSA-N 1 0 378.925 4.093 20 0 GIADRO CC[C@@H](CNC(=O)c1oc2ccccc2c1COC)[N@@H+]1CCc2ccccc2C1 ZINC000029908392 820546023 /nfs/dbraw/zinc/54/60/23/820546023.db2.gz VUQQJZATVMVUQO-IBGZPJMESA-N 1 0 392.499 4.146 20 0 GIADRO CC[C@H](CNC(=O)Cc1cccc(C(F)(F)F)c1)[N@@H+]1CCc2ccccc2C1 ZINC000029909479 820546202 /nfs/dbraw/zinc/54/62/02/820546202.db2.gz OBIZCEOKNXHNAK-HXUWFJFHSA-N 1 0 390.449 4.201 20 0 GIADRO CC[C@H](CNC(=O)c1nc(-c2ccccc2)oc1C)[N@@H+]1CCc2ccccc2C1 ZINC000029908912 820546223 /nfs/dbraw/zinc/54/62/23/820546223.db2.gz ZJRIMIXDOTVAEP-OAQYLSRUSA-N 1 0 389.499 4.217 20 0 GIADRO Cc1nn(CC(C)C)c(C)c1CCC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000029924171 820549271 /nfs/dbraw/zinc/54/92/71/820549271.db2.gz FJZLTSBHUOPVBN-UHFFFAOYSA-N 1 0 396.579 4.001 20 0 GIADRO CCCc1c(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)[nH]c(C)c1C(C)=O ZINC000059363579 823493631 /nfs/dbraw/zinc/49/36/31/823493631.db2.gz SOZCOUOVHIEHLF-UHFFFAOYSA-N 1 0 395.547 4.394 20 0 GIADRO C[C@H](CNC(=O)C1(c2cccc(C(F)(F)F)c2)CCC1)[N@@H+]1CCC[C@H](C)C1 ZINC000460724225 823495341 /nfs/dbraw/zinc/49/53/41/823495341.db2.gz ZHQNZGADPPIHLV-JKSUJKDBSA-N 1 0 382.470 4.364 20 0 GIADRO C[N@H+](CCC(=O)N[C@H]1CCCc2ccccc21)Cc1ccc(Br)o1 ZINC000030217443 820588256 /nfs/dbraw/zinc/58/82/56/820588256.db2.gz BQSIYZKEYIUCKJ-KRWDZBQOSA-N 1 0 391.309 4.058 20 0 GIADRO COc1ccccc1COC[C@@H](O)C[N@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000059375246 823494325 /nfs/dbraw/zinc/49/43/25/823494325.db2.gz MOBJZDSAAMPJPT-SFHVURJKSA-N 1 0 384.303 4.012 20 0 GIADRO C[N@H+](CCCOc1ccc(F)cc1)CCC(=O)Nc1ccc(Cl)cc1F ZINC000030268737 820593487 /nfs/dbraw/zinc/59/34/87/820593487.db2.gz AQLKGQSTWWZMOY-UHFFFAOYSA-N 1 0 382.838 4.348 20 0 GIADRO COc1ccc2ccccc2c1CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000123318802 823495474 /nfs/dbraw/zinc/49/54/74/823495474.db2.gz GRUCOGVWCZBZLM-XMSQKQJNSA-N 1 0 393.531 4.007 20 0 GIADRO O=C(CCc1ccc(Cl)cc1Cl)NCC[N@@H+]1CCc2ccccc2C1 ZINC000030317335 820600072 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1 0 396.583 4.261 20 0 GIADRO CCc1c(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cnn1-c1ccccc1 ZINC000030511724 820628826 /nfs/dbraw/zinc/62/88/26/820628826.db2.gz OZYZQEOAIMMZLM-HXUWFJFHSA-N 1 0 394.544 4.063 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)Cn1c2ccccc2c2ccccc21)c1ccc2c(c1)OCO2 ZINC000030535686 820634801 /nfs/dbraw/zinc/63/48/01/820634801.db2.gz UKVHRDQPZUCGDB-SJLPKXTDSA-N 1 0 388.467 4.235 20 0 GIADRO CCOc1ccc([C@H]([NH2+]C[C@@H](O)COc2ccccc2F)c2ccccc2)cc1 ZINC000030537153 820634929 /nfs/dbraw/zinc/63/49/29/820634929.db2.gz VHDHBJUERWSBBA-HYBUGGRVSA-N 1 0 395.474 4.343 20 0 GIADRO CC[NH2+]Cc1cccc(NC(=O)CSCC(=O)c2ccc(Cl)cc2)c1 ZINC000123295779 823492400 /nfs/dbraw/zinc/49/24/00/823492400.db2.gz RYPHDSNCJKDECG-UHFFFAOYSA-N 1 0 376.909 4.004 20 0 GIADRO COc1ccccc1C1(C(=O)NC2CC[NH+](C3CCCC3)CC2)CCCCC1 ZINC000573465913 823492909 /nfs/dbraw/zinc/49/29/09/823492909.db2.gz NLTCIEMQGNDIJD-UHFFFAOYSA-N 1 0 384.564 4.420 20 0 GIADRO CC(C)C[C@H](C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1)N(C)C ZINC000030663798 820661527 /nfs/dbraw/zinc/66/15/27/820661527.db2.gz JAVOFERESFSZHQ-HSZRJFAPSA-N 1 0 391.563 4.059 20 0 GIADRO COc1ccc(C[NH2+]C2CCN(C(=O)C(C)C)CC2)cc1OCc1ccccc1 ZINC000030671027 820662762 /nfs/dbraw/zinc/66/27/62/820662762.db2.gz LZJXQROKJORQJE-UHFFFAOYSA-N 1 0 396.531 4.011 20 0 GIADRO CCCOc1c(Cl)cc(C[NH2+]Cc2ccc(C(=O)NC)cc2)cc1OCC ZINC000030671912 820662866 /nfs/dbraw/zinc/66/28/66/820662866.db2.gz XRYJCAIDXJDGRN-UHFFFAOYSA-N 1 0 390.911 4.177 20 0 GIADRO COc1cc(CCC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)ccc1Cl ZINC000123351053 823500239 /nfs/dbraw/zinc/50/02/39/823500239.db2.gz IIRZYGXRFFMEED-HKUYNNGSSA-N 1 0 392.971 4.394 20 0 GIADRO CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000059699973 823497333 /nfs/dbraw/zinc/49/73/33/823497333.db2.gz TUMOLHJBTFJFLD-ROUUACIJSA-N 1 0 397.437 4.367 20 0 GIADRO CC[C@H]([NH2+]Cc1cc2c(c(Br)c1)OCO2)c1ccccc1OC ZINC000030904894 820705910 /nfs/dbraw/zinc/70/59/10/820705910.db2.gz JSWBUQXINBQUBY-HNNXBMFYSA-N 1 0 378.266 4.427 20 0 GIADRO Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000030908788 820707069 /nfs/dbraw/zinc/70/70/69/820707069.db2.gz POCJKRPWQCKPLH-FQEVSTJZSA-N 1 0 394.906 4.493 20 0 GIADRO Fc1cccc(Cl)c1[C@@H](C[NH2+]Cc1ccc2c(c1)OCCO2)N1CCCC1 ZINC000030910882 820707742 /nfs/dbraw/zinc/70/77/42/820707742.db2.gz PSTCPTPYGQFKFK-GOSISDBHSA-N 1 0 390.886 4.177 20 0 GIADRO Cc1cc(C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)nc(-c2ccc(Cl)cc2)n1 ZINC000123344745 823499464 /nfs/dbraw/zinc/49/94/64/823499464.db2.gz HWCDPVQCVHARJB-LJQANCHMSA-N 1 0 398.938 4.196 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)Nc2cnn([C@@H](C)C3CC3)c2)[NH+]2CCCC2)cc1 ZINC000189813340 823500033 /nfs/dbraw/zinc/50/00/33/823500033.db2.gz KYZGIIWQWNMLGF-LAUBAEHRSA-N 1 0 381.524 4.121 20 0 GIADRO COc1cccc([C@H](CNC(=O)c2sc3ccc(F)cc3c2C)[NH+](C)C)c1 ZINC000059965122 823503988 /nfs/dbraw/zinc/50/39/88/823503988.db2.gz CIYNMXFWEZSTJD-SFHVURJKSA-N 1 0 386.492 4.390 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1ccc(Br)cc1 ZINC000060007561 823504586 /nfs/dbraw/zinc/50/45/86/823504586.db2.gz RFPNCEQSYVTVAV-UHFFFAOYSA-N 1 0 391.309 4.422 20 0 GIADRO C[C@@H]1C[C@H](N(C)Cc2coc(-c3ccc(Br)cc3)n2)CC[N@@H+]1C ZINC000123392455 823504963 /nfs/dbraw/zinc/50/49/63/823504963.db2.gz VISZRXVLMUBBJR-CXAGYDPISA-N 1 0 378.314 4.019 20 0 GIADRO CC[C@H](NC(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1ccc(OC)cc1 ZINC000031149354 820754856 /nfs/dbraw/zinc/75/48/56/820754856.db2.gz BQZFVBCHZARNGL-QHCPKHFHSA-N 1 0 395.547 4.153 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H](C)C[C@@H](O)c1ccc(F)cc1)CC3 ZINC000123395876 823505319 /nfs/dbraw/zinc/50/53/19/823505319.db2.gz AKDGQPRGEHNYOZ-DJKDLEHESA-N 1 0 382.479 4.275 20 0 GIADRO Cc1cccc2nc(C3CC[NH+](CC(=O)N([C@@H](C)C4CC4)C4CC4)CC3)oc21 ZINC000189816718 823501010 /nfs/dbraw/zinc/50/10/10/823501010.db2.gz IZIPSSHMUXNVLW-INIZCTEOSA-N 1 0 381.520 4.105 20 0 GIADRO CN(C)c1ccc(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)c(C(F)(F)F)c1 ZINC000177613026 823501133 /nfs/dbraw/zinc/50/11/33/823501133.db2.gz BZXVHQILBLKFTN-AWEZNQCLSA-N 1 0 383.458 4.365 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000031309065 820789563 /nfs/dbraw/zinc/78/95/63/820789563.db2.gz HFUBHIZMWCSPBA-QGZVFWFLSA-N 1 0 379.504 4.122 20 0 GIADRO COCCOc1ccc([C@@H](C)[NH2+]Cc2cc3cc(OC)ccc3o2)cc1OC ZINC000123374205 823502751 /nfs/dbraw/zinc/50/27/51/823502751.db2.gz XXLAKUTXGXUGRW-OAHLLOKOSA-N 1 0 385.460 4.326 20 0 GIADRO COc1cccc([C@@H](C)CC(=O)Nc2ccccc2NC2CC[NH+](C)CC2)c1 ZINC000177638720 823505995 /nfs/dbraw/zinc/50/59/95/823505995.db2.gz YJFQHMIOVZTNDU-KRWDZBQOSA-N 1 0 381.520 4.334 20 0 GIADRO CC[C@H](c1ccc(Cl)cc1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000060876753 823564195 /nfs/dbraw/zinc/56/41/95/823564195.db2.gz DNVMRNPIYJKGPC-QGZVFWFLSA-N 1 0 378.866 4.378 20 0 GIADRO CN(Cc1ccccc1N1CCCC1)C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000059951298 823503583 /nfs/dbraw/zinc/50/35/83/823503583.db2.gz RPYKKZSFBJPGHZ-HSZRJFAPSA-N 1 0 391.559 4.157 20 0 GIADRO Cc1ccc(-c2nc(C)c(C(=O)N(Cc3ccco3)C3CC[NH+](C)CC3)s2)o1 ZINC000123383393 823503712 /nfs/dbraw/zinc/50/37/12/823503712.db2.gz ONBNFSZFMNKQTM-UHFFFAOYSA-N 1 0 399.516 4.350 20 0 GIADRO c1ccc(C[NH+]2CCC(CNc3ccc4nnc(-c5ccccc5)n4n3)CC2)cc1 ZINC000060082244 823506940 /nfs/dbraw/zinc/50/69/40/823506940.db2.gz KYOBUKQDBZRTHO-UHFFFAOYSA-N 1 0 398.514 4.115 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1 ZINC000031526102 820821463 /nfs/dbraw/zinc/82/14/63/820821463.db2.gz WAVPGOOQFPJILY-JTSKRJEESA-N 1 0 393.531 4.053 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)[C@H](NC(=O)c2ccc(F)cc2)C(C)C)c1 ZINC000031531492 820821668 /nfs/dbraw/zinc/82/16/68/820821668.db2.gz DBZJPWYZWYYFFQ-OAQYLSRUSA-N 1 0 399.510 4.061 20 0 GIADRO Cc1ccc(-n2ncc(C(=O)NCCC[N@@H+]3CCCC[C@H]3C)c2C(C)C)cc1 ZINC000060091572 823507513 /nfs/dbraw/zinc/50/75/13/823507513.db2.gz JCCDOJJQLYLQMM-LJQANCHMSA-N 1 0 382.552 4.298 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CCc1nc2c(s1)CCCC2)CC3 ZINC000123422795 823507600 /nfs/dbraw/zinc/50/76/00/823507600.db2.gz CBUXNJHIZPPAIW-AWEZNQCLSA-N 1 0 381.545 4.201 20 0 GIADRO Cc1cccnc1[C@H]([NH2+]CCC(=O)Nc1ccccc1Br)C(C)C ZINC000411375601 823567356 /nfs/dbraw/zinc/56/73/56/823567356.db2.gz HHXZZTCQHWICQL-GOSISDBHSA-N 1 0 390.325 4.468 20 0 GIADRO Cc1oc(-c2ccccc2)nc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000031566218 820827296 /nfs/dbraw/zinc/82/72/96/820827296.db2.gz NMNLZNASMKCKHT-HXUWFJFHSA-N 1 0 375.472 4.044 20 0 GIADRO Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000031566859 820827491 /nfs/dbraw/zinc/82/74/91/820827491.db2.gz TWWSLEBMQRCITL-HXUWFJFHSA-N 1 0 375.472 4.044 20 0 GIADRO Cc1cc(C)c(/C=C/C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)cc1C ZINC000031695563 820847305 /nfs/dbraw/zinc/84/73/05/820847305.db2.gz DRLYQOQHVXJNPG-RMKNXTFCSA-N 1 0 377.532 4.324 20 0 GIADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2csc(Br)c2)CC1 ZINC000031765306 820856419 /nfs/dbraw/zinc/85/64/19/820856419.db2.gz XFNSKQGJQLFAJK-UHFFFAOYSA-N 1 0 393.350 4.167 20 0 GIADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)C(C)(C)Oc2ccc(F)cc2)CC1 ZINC000031766352 820857167 /nfs/dbraw/zinc/85/71/67/820857167.db2.gz BVUCAUXRJJDBQH-UHFFFAOYSA-N 1 0 384.495 4.026 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2CCN(c3cccc(Cl)c3)C2=O)c1 ZINC000460780027 823510439 /nfs/dbraw/zinc/51/04/39/823510439.db2.gz QAZZYUBIKNTMSU-HXUWFJFHSA-N 1 0 399.922 4.173 20 0 GIADRO Cc1cc(OCC(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)ccc1Cl ZINC000060159716 823510520 /nfs/dbraw/zinc/51/05/20/823510520.db2.gz XHPIPDHWFMBFQB-LJQANCHMSA-N 1 0 386.923 4.056 20 0 GIADRO CC[NH2+]Cc1cccc(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)c1 ZINC000123453650 823510542 /nfs/dbraw/zinc/51/05/42/823510542.db2.gz KDJSIVFQCKVTLP-UHFFFAOYSA-N 1 0 377.492 4.251 20 0 GIADRO Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC[NH+]3CCCC3)cc2)c1C ZINC000031855088 820868169 /nfs/dbraw/zinc/86/81/69/820868169.db2.gz NHTWINNSRDAGID-LTGZKZEYSA-N 1 0 389.499 4.324 20 0 GIADRO C[C@H](Oc1cccc(Cl)c1)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000060167550 823510976 /nfs/dbraw/zinc/51/09/76/823510976.db2.gz JFIDUDVECZUXHE-INIZCTEOSA-N 1 0 378.944 4.268 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Cc1ccc(Br)cc1)c1ccsc1 ZINC000031987246 820884920 /nfs/dbraw/zinc/88/49/20/820884920.db2.gz VIJUGCPLMGTPAY-KRWDZBQOSA-N 1 0 395.366 4.252 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)COc1cc(C)ccc1Cl)c1ccsc1 ZINC000031988928 820886076 /nfs/dbraw/zinc/88/60/76/820886076.db2.gz JVGUMUNTTQYCJC-KRWDZBQOSA-N 1 0 380.941 4.288 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC1([C@H](O)c2ccccc2)CC1)CC3 ZINC000123490636 823514127 /nfs/dbraw/zinc/51/41/27/823514127.db2.gz KUOHQYXZECHWON-UZUQRXQVSA-N 1 0 376.500 4.137 20 0 GIADRO CCC[N@H+](CC)Cc1ccc(C(=O)Nc2cc(-c3nc[nH]n3)ccc2F)cc1 ZINC000410794290 823514222 /nfs/dbraw/zinc/51/42/22/823514222.db2.gz WWUPWYJSHGIOLK-UHFFFAOYSA-N 1 0 381.455 4.095 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)Nc2cccc(C(=O)N3CCCC3)c2C)cc1 ZINC000060303796 823514788 /nfs/dbraw/zinc/51/47/88/823514788.db2.gz BVABYFQNTIFRQP-UHFFFAOYSA-N 1 0 393.531 4.325 20 0 GIADRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)C(c1ccccc1)c1ccccc1 ZINC000032398873 820933272 /nfs/dbraw/zinc/93/32/72/820933272.db2.gz JPSROANRCIONNA-UHFFFAOYSA-N 1 0 384.523 4.383 20 0 GIADRO CC1CC[NH+](CCCNC(=O)C2(c3cccc(C(F)(F)F)c3)CCC2)CC1 ZINC000460800492 823516027 /nfs/dbraw/zinc/51/60/27/823516027.db2.gz DCBBXNYVFLMCDT-UHFFFAOYSA-N 1 0 382.470 4.365 20 0 GIADRO CC[C@@H](CNC(=O)c1oc2ccc(F)cc2c1C)[N@@H+]1CCc2ccccc2C1 ZINC000032446801 820945660 /nfs/dbraw/zinc/94/56/60/820945660.db2.gz DNLZRJISTUHNLD-IBGZPJMESA-N 1 0 380.463 4.447 20 0 GIADRO CCCCC1CCC(C(=O)Nc2ccccc2C[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000060336407 823516488 /nfs/dbraw/zinc/51/64/88/823516488.db2.gz KROBPAKEERZVBG-GZNCHQMQSA-N 1 0 399.579 4.319 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1occc1COc1ccccc1 ZINC000032464057 820949897 /nfs/dbraw/zinc/94/98/97/820949897.db2.gz RMLLFLQEKIPJEH-UHFFFAOYSA-N 1 0 390.483 4.384 20 0 GIADRO CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000032464262 820950089 /nfs/dbraw/zinc/95/00/89/820950089.db2.gz AHHGMKOJONCAJC-UHFFFAOYSA-N 1 0 386.923 4.410 20 0 GIADRO C[NH+]1CCC(CCNC(=O)c2ccccc2OCc2ccc(Cl)cc2)CC1 ZINC000060339608 823516919 /nfs/dbraw/zinc/51/69/19/823516919.db2.gz CVHAKVRZRYOOKK-UHFFFAOYSA-N 1 0 386.923 4.381 20 0 GIADRO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000032486025 820957806 /nfs/dbraw/zinc/95/78/06/820957806.db2.gz YVLDMLDYBONGDA-AAEUAGOBSA-N 1 0 387.332 4.241 20 0 GIADRO Cc1ccc(CCC(=O)N[C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c(C)c1 ZINC000060344035 823517397 /nfs/dbraw/zinc/51/73/97/823517397.db2.gz MIPCMYXSZSOEJQ-IBGZPJMESA-N 1 0 397.538 4.004 20 0 GIADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccccc2NC(=O)c2ccsc2)C1 ZINC000060341887 823517437 /nfs/dbraw/zinc/51/74/37/823517437.db2.gz ZLACTDPPWBIYIN-MRXNPFEDSA-N 1 0 399.560 4.241 20 0 GIADRO Cc1cc(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)cc(C)c1OCc1cccnc1 ZINC000060396136 823523592 /nfs/dbraw/zinc/52/35/92/823523592.db2.gz ZPGOTIBTWRENFI-GOSISDBHSA-N 1 0 395.547 4.129 20 0 GIADRO Cc1ccc([C@H](CNC(=O)c2c[nH]c(=S)n2-c2ccccc2)[NH+]2CCCC2)o1 ZINC000060355134 823519033 /nfs/dbraw/zinc/51/90/33/823519033.db2.gz GMBRPRBDOYWDPS-KRWDZBQOSA-N 1 0 396.516 4.003 20 0 GIADRO O=C(NCc1ccc(F)c(Cl)c1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000060355542 823519050 /nfs/dbraw/zinc/51/90/50/823519050.db2.gz QUHSRKACJYKIMO-MRXNPFEDSA-N 1 0 378.850 4.147 20 0 GIADRO C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000032638247 820982249 /nfs/dbraw/zinc/98/22/49/820982249.db2.gz PQRDPFCLGDSMQF-RISCZKNCSA-N 1 0 387.332 4.241 20 0 GIADRO CS[C@H](C)C(=O)Nc1ccc(C[NH+]2CCN(c3cccc(C)c3)CC2)cc1 ZINC000032666835 820986207 /nfs/dbraw/zinc/98/62/07/820986207.db2.gz QTNWGIMTRUURJP-GOSISDBHSA-N 1 0 383.561 4.007 20 0 GIADRO CCOc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1cccc(N3CCOC3=O)c1)CCO2 ZINC000177747957 823520021 /nfs/dbraw/zinc/52/00/21/823520021.db2.gz MMGZYZQBHMNMTR-MGPUTAFESA-N 1 0 382.460 4.216 20 0 GIADRO COc1ccccc1-c1cccc(NC(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)c1 ZINC000123584277 823523765 /nfs/dbraw/zinc/52/37/65/823523765.db2.gz ZWNJXQZCYHQJOB-GOSISDBHSA-N 1 0 381.520 4.462 20 0 GIADRO C[C@@H]1C[N@@H+](CC2CCN(Cc3csc(C4CCCC4)n3)CC2)C[C@H](C)O1 ZINC000060368408 823520518 /nfs/dbraw/zinc/52/05/18/823520518.db2.gz CEDGNBIAFPVZLS-CALCHBBNSA-N 1 0 377.598 4.122 20 0 GIADRO C[C@@H](CNC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)[N@@H+]1CCCC[C@@H]1C ZINC000032735086 821001165 /nfs/dbraw/zinc/00/11/65/821001165.db2.gz QUJCVOPGDYTRTB-HOTGVXAUSA-N 1 0 389.927 4.307 20 0 GIADRO CCc1ccc([C@@H](CNC(=O)/C=C/c2ccc(Br)o2)[NH+](C)C)cc1 ZINC000032735551 821001436 /nfs/dbraw/zinc/00/14/36/821001436.db2.gz CVFWMIVBLYXSRO-DPCFLFMUSA-N 1 0 391.309 4.037 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 ZINC000177753882 823520817 /nfs/dbraw/zinc/52/08/17/823520817.db2.gz YNVLAQFCQIEVCD-MSOLQXFVSA-N 1 0 384.455 4.104 20 0 GIADRO O=C(Nc1ccccc1)c1cccc(C[N@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)c1 ZINC000123584803 823523779 /nfs/dbraw/zinc/52/37/79/823523779.db2.gz SKOUSUDKANZPSF-FGZHOGPDSA-N 1 0 396.556 4.425 20 0 GIADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1cc(-c2ccccc2F)on1 ZINC000032763128 821005463 /nfs/dbraw/zinc/00/54/63/821005463.db2.gz ZYGHDVVRYCVARQ-QGZVFWFLSA-N 1 0 385.464 4.109 20 0 GIADRO COc1cccc([C@@H](CNC(=O)[C@H](C)c2cccc(Cl)c2)[NH+]2CCCC2)c1 ZINC000460819836 823521618 /nfs/dbraw/zinc/52/16/18/823521618.db2.gz UDCRRPURNOPRIB-IIBYNOLFSA-N 1 0 386.923 4.405 20 0 GIADRO C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)N1CCC(CCC[NH+](C)C)CC1 ZINC000123566744 823522071 /nfs/dbraw/zinc/52/20/71/823522071.db2.gz GMVDACFQOLAPKF-MRXNPFEDSA-N 1 0 390.959 4.429 20 0 GIADRO Cc1cc(C(=O)NCc2cccc(C[NH+](C)C)c2)c(C)n1-c1ccc(F)cc1 ZINC000033083853 821031689 /nfs/dbraw/zinc/03/16/89/821031689.db2.gz QOPDZIXKGMZVRT-UHFFFAOYSA-N 1 0 379.479 4.225 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)c1 ZINC000033084523 821031985 /nfs/dbraw/zinc/03/19/85/821031985.db2.gz AVLYTWCSEDOVPA-UHFFFAOYSA-N 1 0 383.492 4.025 20 0 GIADRO C[C@H](CNC(=O)c1ccccc1Nc1ccc(SC(F)F)cc1)[NH+](C)C ZINC000033093641 821032817 /nfs/dbraw/zinc/03/28/17/821032817.db2.gz MJMBDFGOMSYBQD-CYBMUJFWSA-N 1 0 379.476 4.425 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)c2cccc(NC(=O)OC(C)(C)C)c2)CC1 ZINC000060395110 823523351 /nfs/dbraw/zinc/52/33/51/823523351.db2.gz XPXMAWJIPKXEFU-UHFFFAOYSA-N 1 0 389.540 4.226 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cccc(COCc2ccco2)c1 ZINC000177768816 823523535 /nfs/dbraw/zinc/52/35/35/823523535.db2.gz RVLVIHFZVYDRPB-UXHICEINSA-N 1 0 383.492 4.087 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1cc(Cl)ccc1Br ZINC000177816971 823529985 /nfs/dbraw/zinc/52/99/85/823529985.db2.gz MPGNLPHFQSBIBQ-CVEARBPZSA-N 1 0 399.760 4.120 20 0 GIADRO C[C@H](O)C[N@H+](Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C1CCCCC1 ZINC000036207613 821069956 /nfs/dbraw/zinc/06/99/56/821069956.db2.gz RCZDOINAJZAXKT-HNNXBMFYSA-N 1 0 397.544 4.167 20 0 GIADRO COc1ccc(C(=O)C(C(=S)NCc2ccccc2)[n+]2cccc(C)c2)cc1 ZINC000036280987 821070412 /nfs/dbraw/zinc/07/04/12/821070412.db2.gz SOUHHQVTWCHPPP-UHFFFAOYSA-O 1 0 391.516 4.020 20 0 GIADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cc(C(F)(F)F)ccc2Br)C1 ZINC000123655028 823529455 /nfs/dbraw/zinc/52/94/55/823529455.db2.gz VPAHHVLDOVDERB-VXGBXAGGSA-N 1 0 393.247 4.071 20 0 GIADRO CC(C)c1cc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)c2cnn(C(C)C)c2n1 ZINC000036685199 821075976 /nfs/dbraw/zinc/07/59/76/821075976.db2.gz SXHRHTYDVYSKJW-SFHVURJKSA-N 1 0 399.564 4.230 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(OC[C@H]2CCCO2)cc1)c1ccccc1 ZINC000036692796 821076458 /nfs/dbraw/zinc/07/64/58/821076458.db2.gz WPNDXAWJTFZJRG-DHIUTWEWSA-N 1 0 396.531 4.057 20 0 GIADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2ccc(C3SCCS3)cc2)o1 ZINC000060407421 823524361 /nfs/dbraw/zinc/52/43/61/823524361.db2.gz YBGZEXSUEAIBAD-UHFFFAOYSA-N 1 0 390.574 4.271 20 0 GIADRO CC[C@@H]([NH2+]CC(=O)Nc1cc(C)ccc1OC)c1ccccc1OC(F)F ZINC000177815363 823529591 /nfs/dbraw/zinc/52/95/91/823529591.db2.gz YNSQOXXMOUSHSK-OAHLLOKOSA-N 1 0 378.419 4.284 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)c1cccc(OC(F)(F)F)c1 ZINC000177777899 823524989 /nfs/dbraw/zinc/52/49/89/823524989.db2.gz UNJHPDLSOIXQOF-CQSZACIVSA-N 1 0 376.382 4.076 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)c1ccccc1C(F)(F)F)c1cccc(N2CCCC2=O)c1 ZINC000177779601 823525152 /nfs/dbraw/zinc/52/51/52/823525152.db2.gz LZJXXWRHZSVOBC-IFXJQAMLSA-N 1 0 392.421 4.216 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(I)cc1)c1ccc2c(c1)OCO2 ZINC000037283455 821091350 /nfs/dbraw/zinc/09/13/50/821091350.db2.gz APFVVOGEZDDNLX-NWDGAFQWSA-N 1 0 395.240 4.432 20 0 GIADRO COc1ccc(C[NH2+][C@@H](C)c2ccc(I)cc2)cc1OC ZINC000037218478 821091541 /nfs/dbraw/zinc/09/15/41/821091541.db2.gz JZNVAEBPGCWRPG-LBPRGKRZSA-N 1 0 397.256 4.159 20 0 GIADRO COCc1cccc(C[NH2+][C@@H](C)c2ccc(I)cc2)c1 ZINC000038010706 821094038 /nfs/dbraw/zinc/09/40/38/821094038.db2.gz YAFOYTVDOCMNCX-ZDUSSCGKSA-N 1 0 381.257 4.288 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(N(C)Cc2ccccc2)cc1 ZINC000177782582 823525610 /nfs/dbraw/zinc/52/56/10/823525610.db2.gz NPHUTUFWXYAWCS-PKTZIBPZSA-N 1 0 392.547 4.414 20 0 GIADRO C[C@H](N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)c1nc(-c2cccc(F)c2)no1 ZINC000190039697 823529706 /nfs/dbraw/zinc/52/97/06/823529706.db2.gz XGEYDAZALUQVBG-FTRWYGJKSA-N 1 0 380.467 4.362 20 0 GIADRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1C(F)(F)F ZINC000038583369 821097868 /nfs/dbraw/zinc/09/78/68/821097868.db2.gz BCFRIUOSBWEXAK-UHFFFAOYSA-N 1 0 376.422 4.347 20 0 GIADRO CC[C@H](NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1)c1c(C)noc1C ZINC000123622967 823526886 /nfs/dbraw/zinc/52/68/86/823526886.db2.gz ZDOUZFNARPZMHC-IPELMVKDSA-N 1 0 376.545 4.039 20 0 GIADRO CC(C)n1cc([C@H](C)[NH2+]C[C@H](O)c2cccc(OCc3ccccc3)c2)cn1 ZINC000123677194 823530795 /nfs/dbraw/zinc/53/07/95/823530795.db2.gz CBCWYKMBLRRDEX-MBSDFSHPSA-N 1 0 379.504 4.427 20 0 GIADRO Cc1ccsc1[C@H](C)[NH2+]Cc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000177822748 823531287 /nfs/dbraw/zinc/53/12/87/823531287.db2.gz OZEKSYJPLKDYME-INIZCTEOSA-N 1 0 378.563 4.082 20 0 GIADRO Cc1oc(-c2cccs2)nc1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000060504570 823535443 /nfs/dbraw/zinc/53/54/43/823535443.db2.gz ZJPQDNBPASDWCA-UHFFFAOYSA-N 1 0 381.501 4.237 20 0 GIADRO O=C(NC1CC1)c1ccc(C[N@@H+](Cc2ccc(OC(F)F)cc2)C2CC2)cc1 ZINC000060467254 823531521 /nfs/dbraw/zinc/53/15/21/823531521.db2.gz OXTCCCVYEGJDMQ-UHFFFAOYSA-N 1 0 386.442 4.345 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)cc1 ZINC000177846217 823535479 /nfs/dbraw/zinc/53/54/79/823535479.db2.gz KDYIBIVEVFWKKW-SFHVURJKSA-N 1 0 388.515 4.268 20 0 GIADRO COc1ccc(C)cc1CC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000060475130 823532127 /nfs/dbraw/zinc/53/21/27/823532127.db2.gz KMCLZOOPYAVESL-LJQANCHMSA-N 1 0 380.532 4.094 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CCOc1cccc(F)c1 ZINC000060475359 823532400 /nfs/dbraw/zinc/53/24/00/823532400.db2.gz ODDAHROTQDQIQR-GOSISDBHSA-N 1 0 384.495 4.285 20 0 GIADRO CC[C@H]([NH2+]C1CCN(C(=O)CC(F)(F)F)CC1)c1cccc(Cl)c1F ZINC000461103962 823578022 /nfs/dbraw/zinc/57/80/22/823578022.db2.gz URCIBLDGPXWNQC-AWEZNQCLSA-N 1 0 380.813 4.463 20 0 GIADRO O[C@H](COc1ccccc1)C[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000060477743 823532599 /nfs/dbraw/zinc/53/25/99/823532599.db2.gz LUXFRQLRCFTBPM-KRWDZBQOSA-N 1 0 386.879 4.101 20 0 GIADRO C[C@H]([NH2+]C[C@H](c1cccs1)N1CCOCC1)c1ccc(OC(F)F)cc1 ZINC000123702256 823533174 /nfs/dbraw/zinc/53/31/74/823533174.db2.gz OKSQZPGCJRQYOD-WMLDXEAASA-N 1 0 382.476 4.074 20 0 GIADRO CC(C)c1nn(-c2ccccc2)c(Cl)c1C[NH2+]CCCOC[C@@H]1CCOC1 ZINC000123709427 823533633 /nfs/dbraw/zinc/53/36/33/823533633.db2.gz GOAZTZCJZZZGHQ-KRWDZBQOSA-N 1 0 391.943 4.182 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)Cn2ccc(=O)c3ccccc32)cc1 ZINC000123712200 823534198 /nfs/dbraw/zinc/53/41/98/823534198.db2.gz SHECDVVLSJEXHK-GOSISDBHSA-N 1 0 389.499 4.015 20 0 GIADRO CCC[N@@H+](CC(=O)Nc1cccc(C(=O)N(CC)CC)c1)CC1CCCCC1 ZINC000060495589 823534432 /nfs/dbraw/zinc/53/44/32/823534432.db2.gz WVFHYGMPCJXECM-UHFFFAOYSA-N 1 0 387.568 4.399 20 0 GIADRO C[NH+](C)CCc1ccc(NC(=O)c2ccc(OCc3ccccn3)cc2)cc1 ZINC000460877086 823534462 /nfs/dbraw/zinc/53/44/62/823534462.db2.gz AHSFIDKXFXXUOO-UHFFFAOYSA-N 1 0 375.472 4.017 20 0 GIADRO CCSc1cc(Cl)ccc1C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000123732058 823535937 /nfs/dbraw/zinc/53/59/37/823535937.db2.gz RUWGUFXRNDLFKJ-UHFFFAOYSA-N 1 0 384.973 4.071 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000177843738 823535074 /nfs/dbraw/zinc/53/50/74/823535074.db2.gz PCHGUFWNBFMVAV-UWJYYQICSA-N 1 0 385.939 4.413 20 0 GIADRO C[NH+]1CCC(CNC(=O)C2(c3cccc(C(F)(F)F)c3)CCCCC2)CC1 ZINC000460886691 823536149 /nfs/dbraw/zinc/53/61/49/823536149.db2.gz WVGBDTSQMCSYNH-UHFFFAOYSA-N 1 0 382.470 4.365 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)N1CCCc2occc2C1)c1cccc(C(F)(F)F)c1 ZINC000460886997 823536185 /nfs/dbraw/zinc/53/61/85/823536185.db2.gz XKQJCFDSBJTRRH-QGZVFWFLSA-N 1 0 395.425 4.059 20 0 GIADRO CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000460888016 823536331 /nfs/dbraw/zinc/53/63/31/823536331.db2.gz VGHIBKSPEJSOAS-YADHBBJMSA-N 1 0 387.568 4.204 20 0 GIADRO Cc1ccc([C@H](CNC(=O)c2cc(Br)ccc2C)[NH+]2CCCC2)o1 ZINC000460890579 823536529 /nfs/dbraw/zinc/53/65/29/823536529.db2.gz BVYMAGICBZVFCA-KRWDZBQOSA-N 1 0 391.309 4.226 20 0 GIADRO CC(C)(C)[N@@H+]1CCCN(C(=O)N[C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000060547578 823540854 /nfs/dbraw/zinc/54/08/54/823540854.db2.gz ZOBWYXYMVPUOMI-NRFANRHFSA-N 1 0 383.511 4.431 20 0 GIADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)CCc1c[nH]c2ccccc12 ZINC000123745809 823536801 /nfs/dbraw/zinc/53/68/01/823536801.db2.gz BVKNZBOVWLOVFD-NRFANRHFSA-N 1 0 390.531 4.009 20 0 GIADRO CC[C@H]([NH2+]CCC(=O)Nc1cccc(Br)c1)c1nc(C)cs1 ZINC000411509205 823582509 /nfs/dbraw/zinc/58/25/09/823582509.db2.gz COSYKRLLFHESFI-AWEZNQCLSA-N 1 0 382.327 4.284 20 0 GIADRO O=C(c1ccccc1)N1CCC([NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000177856285 823536975 /nfs/dbraw/zinc/53/69/75/823536975.db2.gz UJYZKXOOWUCGIL-OAQYLSRUSA-N 1 0 376.500 4.327 20 0 GIADRO CC(C)=CCSc1ccccc1C(=O)NCCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000123748465 823537019 /nfs/dbraw/zinc/53/70/19/823537019.db2.gz KVWBDKVTPKXKNL-KDURUIRLSA-N 1 0 390.593 4.364 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3sc(CC4CC4)nc3C)c(C)c2)CC1 ZINC000190097547 823537250 /nfs/dbraw/zinc/53/72/50/823537250.db2.gz VYCXUZHVEJPTBF-UHFFFAOYSA-N 1 0 398.576 4.107 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)C(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)c1 ZINC000041852018 821238221 /nfs/dbraw/zinc/23/82/21/821238221.db2.gz YNPPIYRJOWPFSM-HXUWFJFHSA-N 1 0 399.510 4.120 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)c2c(F)c(F)cc(F)c2F)cc1Cl ZINC000177865859 823538539 /nfs/dbraw/zinc/53/85/39/823538539.db2.gz UPXJIXFXQQPIHK-UHFFFAOYSA-N 1 0 390.764 4.089 20 0 GIADRO CC(C)NC(=O)CC[NH2+][C@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21 ZINC000177868041 823538705 /nfs/dbraw/zinc/53/87/05/823538705.db2.gz FSHJHOFGJSJXTK-HNNXBMFYSA-N 1 0 377.941 4.345 20 0 GIADRO CC[NH+](CC)[C@H](C)CNC(=O)c1ccccc1SCc1c(C)noc1C ZINC000041912770 821245948 /nfs/dbraw/zinc/24/59/48/821245948.db2.gz KRLNEDFFUZZUOR-CQSZACIVSA-N 1 0 375.538 4.044 20 0 GIADRO CCc1oc2ccccc2c1C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000123768898 823539041 /nfs/dbraw/zinc/53/90/41/823539041.db2.gz SOBFKCWPNCGFLI-UHFFFAOYSA-N 1 0 379.460 4.138 20 0 GIADRO Cc1ccsc1CNC(=O)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000041949667 821249176 /nfs/dbraw/zinc/24/91/76/821249176.db2.gz AFQHSEDKSXKSPE-UHFFFAOYSA-N 1 0 399.560 4.076 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)C1(c2ccccc2)CCC1 ZINC000060532469 823539171 /nfs/dbraw/zinc/53/91/71/823539171.db2.gz YBPLEOPNGYUCAZ-UHFFFAOYSA-N 1 0 380.532 4.145 20 0 GIADRO Cc1cc(NC(=O)c2c(F)c(F)cc(F)c2F)ccc1OCC[NH+]1CCCC1 ZINC000177872819 823539324 /nfs/dbraw/zinc/53/93/24/823539324.db2.gz JFIFHOPVTFSTAB-UHFFFAOYSA-N 1 0 396.384 4.278 20 0 GIADRO C[C@H]1C[NH+](CCCCNC(=O)c2[nH]c3ccc(Cl)cc3c2Cl)C[C@H](C)O1 ZINC000123771957 823539468 /nfs/dbraw/zinc/53/94/68/823539468.db2.gz YFQLDJCGHMYXMP-STQMWFEESA-N 1 0 398.334 4.094 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(N2CCCC2)nc1)c1cc(Br)ccc1F ZINC000177885816 823541300 /nfs/dbraw/zinc/54/13/00/823541300.db2.gz CSEGTWHVZDNRGB-CYBMUJFWSA-N 1 0 378.289 4.434 20 0 GIADRO CCCCNC(=O)c1ccc(C[NH2+][C@@H](C)c2cnn(Cc3ccccc3)c2)cc1 ZINC000177878898 823540235 /nfs/dbraw/zinc/54/02/35/823540235.db2.gz VOTINZAAGLUCHF-IBGZPJMESA-N 1 0 390.531 4.312 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000177879650 823540413 /nfs/dbraw/zinc/54/04/13/823540413.db2.gz YRUMSSMTQGAGOV-SJORKVTESA-N 1 0 375.488 4.238 20 0 GIADRO C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000042132487 821271902 /nfs/dbraw/zinc/27/19/02/821271902.db2.gz RDJDMGRLLXWKFP-WMZOPIPTSA-N 1 0 395.478 4.366 20 0 GIADRO O=C(C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000042132438 821271987 /nfs/dbraw/zinc/27/19/87/821271987.db2.gz GBPPEZXWZOTELZ-HBFSDRIKSA-N 1 0 381.520 4.188 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(OCc2cccnc2)cc1)c1ccc2c(c1)OCCO2 ZINC000042186450 821281232 /nfs/dbraw/zinc/28/12/32/821281232.db2.gz IBQZFEFMPMLYTK-QGZVFWFLSA-N 1 0 376.456 4.283 20 0 GIADRO COc1ccc([C@H](O)C[NH2+]Cc2c(C)nn(Cc3ccccc3Cl)c2C)cc1 ZINC000042202517 821283274 /nfs/dbraw/zinc/28/32/74/821283274.db2.gz OOILIOSTTDDYCJ-JOCHJYFZSA-N 1 0 399.922 4.033 20 0 GIADRO O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)Nc1ccc2c(c1)OCO2 ZINC000042309674 821298268 /nfs/dbraw/zinc/29/82/68/821298268.db2.gz AMAXBDWJQHPGJK-KRWDZBQOSA-N 1 0 387.867 4.027 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)c2cnc(-c3ccccc3)s2)CC1 ZINC000042389134 821306495 /nfs/dbraw/zinc/30/64/95/821306495.db2.gz OFJZOQMEPVRLRQ-UHFFFAOYSA-N 1 0 392.528 4.204 20 0 GIADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1csc(-c2ccc(OC)cc2)n1 ZINC000042537134 821309933 /nfs/dbraw/zinc/30/99/33/821309933.db2.gz TVSBHJLSOATGDE-OAHLLOKOSA-N 1 0 375.538 4.059 20 0 GIADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1sc(NC(=O)c2ccco2)cc1C ZINC000042537761 821309953 /nfs/dbraw/zinc/30/99/53/821309953.db2.gz PXFJYCYEXXENNZ-OAHLLOKOSA-N 1 0 391.537 4.142 20 0 GIADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)C1(c2ccc(Br)cc2)CC1 ZINC000042539138 821310166 /nfs/dbraw/zinc/31/01/66/821310166.db2.gz FNAVDASNBORQSR-OAHLLOKOSA-N 1 0 381.358 4.107 20 0 GIADRO COc1ccc([C@H](CNC(=O)N(C)[C@H]2CCc3ccccc32)[NH+]2CCCC2)cc1 ZINC000042626353 821315797 /nfs/dbraw/zinc/31/57/97/821315797.db2.gz IOSNOKWGZQWLQG-GOTSBHOMSA-N 1 0 393.531 4.161 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2)c1 ZINC000042636616 821317510 /nfs/dbraw/zinc/31/75/10/821317510.db2.gz LHXFAAGTTHJARB-STQMWFEESA-N 1 0 393.409 4.342 20 0 GIADRO CCOc1cc2c(cc1/C=C/C(=O)Nc1ccccc1C[NH+](C)C)O[C@H](C)C2 ZINC000042752576 821330690 /nfs/dbraw/zinc/33/06/90/821330690.db2.gz YYRLHNSKGUCDTJ-SIFUEBAJSA-N 1 0 380.488 4.122 20 0 GIADRO CC(C)Oc1ccc([C@H](C)NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000042929545 821346128 /nfs/dbraw/zinc/34/61/28/821346128.db2.gz BHLJYSIOSXBQLW-IBGZPJMESA-N 1 0 395.547 4.499 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)Cc1coc(-c2ccccc2)n1 ZINC000043086552 821359344 /nfs/dbraw/zinc/35/93/44/821359344.db2.gz HVYSQIGHHHXAFY-UHFFFAOYSA-N 1 0 377.488 4.041 20 0 GIADRO CC(C)[C@@H](NC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)c1nc2ccccc2[nH]1 ZINC000043107330 821361939 /nfs/dbraw/zinc/36/19/39/821361939.db2.gz ZDALQJZIDXGONH-VQTJNVASSA-N 1 0 397.498 4.001 20 0 GIADRO CCCCOc1ccc(C(=O)N(C)C2CC[NH+](C(C)C)CC2)cc1OCC ZINC000043115107 821363055 /nfs/dbraw/zinc/36/30/55/821363055.db2.gz VSPHICMYWCLHCA-UHFFFAOYSA-N 1 0 376.541 4.209 20 0 GIADRO Cc1ccc(C)c(NC(=O)NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)c1 ZINC000043122755 821364356 /nfs/dbraw/zinc/36/43/56/821364356.db2.gz SCROVPBHEZPUMZ-OALUTQOASA-N 1 0 381.520 4.234 20 0 GIADRO Cc1ccc(Br)cc1NC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000043143575 821367696 /nfs/dbraw/zinc/36/76/96/821367696.db2.gz NHTYLOQMRZVBAG-AWEZNQCLSA-N 1 0 382.327 4.243 20 0 GIADRO COc1ccc(C[N@@H+]2CCCN(C(=O)Nc3cccc(SC)c3)CC2)cc1 ZINC000043157258 821369975 /nfs/dbraw/zinc/36/99/75/821369975.db2.gz OHMVYUJPFWMWFP-UHFFFAOYSA-N 1 0 385.533 4.157 20 0 GIADRO CC(C)Oc1ccc([C@@H](C)NC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000043167135 821371633 /nfs/dbraw/zinc/37/16/33/821371633.db2.gz VCYDDWDRMFHGRI-YLJYHZDGSA-N 1 0 385.508 4.264 20 0 GIADRO COc1ccc([C@H]([NH2+]CCc2cccc(C(=O)N(C)C)c2)c2ccccc2)cc1 ZINC000180630375 821374831 /nfs/dbraw/zinc/37/48/31/821374831.db2.gz ZEZPEAROZQQSFS-XMMPIXPASA-N 1 0 388.511 4.319 20 0 GIADRO Cn1cc([C@H](NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c2cccc(F)c2)cn1 ZINC000180629338 821375066 /nfs/dbraw/zinc/37/50/66/821375066.db2.gz NFILNNRHIIEBBO-YHYVQYDKSA-N 1 0 398.551 4.383 20 0 GIADRO CC[C@@H]([NH2+]CC(=O)Nc1ccccc1C(F)(F)F)c1ccc2c(c1)OCCO2 ZINC000180639341 821378539 /nfs/dbraw/zinc/37/85/39/821378539.db2.gz HUFSPNCZQDDEHY-OAHLLOKOSA-N 1 0 394.393 4.156 20 0 GIADRO CC[C@@H]([NH2+]CC(=O)Nc1c(C)cc(C)cc1Cl)c1ccc2c(c1)OCCO2 ZINC000180647592 821381557 /nfs/dbraw/zinc/38/15/57/821381557.db2.gz YSTAXJLZVJFUBO-QGZVFWFLSA-N 1 0 388.895 4.407 20 0 GIADRO Cc1cc(Cl)c(C(=O)N(C)C2CC[NH+](CCc3ccccn3)CC2)cc1C ZINC000180647860 821381605 /nfs/dbraw/zinc/38/16/05/821381605.db2.gz YZCFNGJVHCTVFQ-UHFFFAOYSA-N 1 0 385.939 4.131 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(Br)cc1F)c1cccc(F)c1 ZINC000043260208 821382219 /nfs/dbraw/zinc/38/22/19/821382219.db2.gz OMOURZCUTJGTRT-INIZCTEOSA-N 1 0 398.251 4.152 20 0 GIADRO NC(=O)COc1cccc(C[NH2+][C@@H](c2ccccc2)c2ccc(Cl)cc2)c1 ZINC000180650210 821382525 /nfs/dbraw/zinc/38/25/25/821382525.db2.gz QWHGUXOSKVCROK-QFIPXVFZSA-N 1 0 380.875 4.083 20 0 GIADRO NC(=O)COc1cccc(C[NH2+][C@H](c2ccccc2)c2ccc(Cl)cc2)c1 ZINC000180650232 821382721 /nfs/dbraw/zinc/38/27/21/821382721.db2.gz QWHGUXOSKVCROK-JOCHJYFZSA-N 1 0 380.875 4.083 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)c2c(C)onc2-c2ccccc2)c1 ZINC000043274088 821385064 /nfs/dbraw/zinc/38/50/64/821385064.db2.gz GJWOOPDAWRGOFA-UHFFFAOYSA-N 1 0 377.488 4.422 20 0 GIADRO Cc1ccc(F)cc1NC(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000043277309 821385679 /nfs/dbraw/zinc/38/56/79/821385679.db2.gz URNSHUUKVWAZLT-IRXDYDNUSA-N 1 0 385.483 4.065 20 0 GIADRO COc1ccc(OC)c(NC(=O)NCc2ccccc2C[NH+]2CCCCC2)c1 ZINC000043280551 821386809 /nfs/dbraw/zinc/38/68/09/821386809.db2.gz GJNUOACLJXGGNC-UHFFFAOYSA-N 1 0 383.492 4.011 20 0 GIADRO CCN(Cc1ccncc1)C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000043307304 821390142 /nfs/dbraw/zinc/39/01/42/821390142.db2.gz MUCUCHZHDLWAEA-HXUWFJFHSA-N 1 0 386.927 4.104 20 0 GIADRO Cc1cc(Br)cc(C[N@@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)c1O ZINC000180677746 821392624 /nfs/dbraw/zinc/39/26/24/821392624.db2.gz NWYPUEIZRXCGPW-NPMABZOXSA-N 1 0 396.350 4.394 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1)c1ccc(N2CCOC2=O)cc1 ZINC000180689940 821396578 /nfs/dbraw/zinc/39/65/78/821396578.db2.gz BFZLRFLCGVZYIK-FZKQIMNGSA-N 1 0 394.393 4.046 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(OC(F)F)c(Cl)c1)c1ccsc1 ZINC000043362289 821397975 /nfs/dbraw/zinc/39/79/75/821397975.db2.gz OFTIASLZFJCUKU-ZDUSSCGKSA-N 1 0 389.855 4.427 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1cc(OC)c(OC)cc1C)c1ccsc1 ZINC000043404164 821402404 /nfs/dbraw/zinc/40/24/04/821402404.db2.gz LQESPDBKJCXXKE-KRWDZBQOSA-N 1 0 391.537 4.278 20 0 GIADRO O[C@]1(C[NH2+][C@@H](c2ccc(Cl)cc2)c2ccc(OC(F)F)cc2)CCSC1 ZINC000180703834 821405823 /nfs/dbraw/zinc/40/58/23/821405823.db2.gz DLAZRDYCWLXFNW-HKUYNNGSSA-N 1 0 399.890 4.488 20 0 GIADRO Cc1cc(F)ccc1NC(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000043421075 821406338 /nfs/dbraw/zinc/40/63/38/821406338.db2.gz MXVUJNIDIYOFJX-IAGOWNOFSA-N 1 0 385.483 4.065 20 0 GIADRO Cc1ccc([C@H]([NH2+][C@@H]2CCCSC2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000180710010 821409975 /nfs/dbraw/zinc/40/99/75/821409975.db2.gz ZDNRPIYFIGJRPP-WIYYLYMNSA-N 1 0 389.586 4.282 20 0 GIADRO O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000180710181 821410198 /nfs/dbraw/zinc/41/01/98/821410198.db2.gz MFORRGXYPQUFIV-QZTJIDSGSA-N 1 0 381.442 4.036 20 0 GIADRO CCc1nc2c(s1)[C@@H]([NH2+][C@H]1CCN(c3ccccc3Cl)C1=O)CCC2 ZINC000180726648 821419464 /nfs/dbraw/zinc/41/94/64/821419464.db2.gz AUNKVPKQWNFCQN-ZFWWWQNUSA-N 1 0 375.925 4.131 20 0 GIADRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)c2ccc3c(c2)OCO3)cc1 ZINC000043506043 821420123 /nfs/dbraw/zinc/42/01/23/821420123.db2.gz LCKRUIRHKZDGJY-UHFFFAOYSA-N 1 0 388.467 4.074 20 0 GIADRO Cn1cc([C@@H]([NH2+][C@@H]2CCN(c3cccc(Cl)c3)C2)c2cccc(F)c2)cn1 ZINC000180727280 821420427 /nfs/dbraw/zinc/42/04/27/821420427.db2.gz VEFAYKGEBNCYBV-CTNGQTDRSA-N 1 0 384.886 4.171 20 0 GIADRO COc1cc([C@@H](C)[NH2+]CCCNC(=O)c2cccc(F)c2)ccc1SC ZINC000180729134 821421691 /nfs/dbraw/zinc/42/16/91/821421691.db2.gz ZISRYESIERSJID-CQSZACIVSA-N 1 0 376.497 4.027 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)N(C)[C@H](C)c3cccs3)c(C)c2)CC1 ZINC000043522638 821421876 /nfs/dbraw/zinc/42/18/76/821421876.db2.gz VULARFQJVSEAGJ-QGZVFWFLSA-N 1 0 386.565 4.423 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)N3CCc4sccc4[C@H]3C)c(C)c2)CC1 ZINC000043522170 821421981 /nfs/dbraw/zinc/42/19/81/821421981.db2.gz YZMBRFUVKBLCFW-QGZVFWFLSA-N 1 0 398.576 4.350 20 0 GIADRO C[C@@H](NCC1([NH+]2CCCCC2)CCOCC1)c1nc(-c2ccccc2)cs1 ZINC000180739039 821426480 /nfs/dbraw/zinc/42/64/80/821426480.db2.gz IZMJRQIDWVLYMA-GOSISDBHSA-N 1 0 385.577 4.496 20 0 GIADRO C[C@@H](NCC1([NH+]2CCCCC2)CCOCC1)c1ccccc1Br ZINC000180739335 821427042 /nfs/dbraw/zinc/42/70/42/821427042.db2.gz IGHJQGMSIXOTNN-MRXNPFEDSA-N 1 0 381.358 4.135 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)N[C@@H](C)c2ccc(SC)cc2)CC1 ZINC000043574417 821428497 /nfs/dbraw/zinc/42/84/97/821428497.db2.gz MNEYWUOEEBUQOF-KRWDZBQOSA-N 1 0 398.576 4.433 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)N(C)Cc2cccc(Cl)c2)CC1 ZINC000043574964 821429288 /nfs/dbraw/zinc/42/92/88/821429288.db2.gz XOEOTLICRYKCFJ-UHFFFAOYSA-N 1 0 386.927 4.146 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)N2CCC[C@@H]2Cc2ccccc2)CC1 ZINC000043574644 821429303 /nfs/dbraw/zinc/42/93/03/821429303.db2.gz HEWULDLQBHHISE-OAQYLSRUSA-N 1 0 392.547 4.068 20 0 GIADRO COc1ccc([C@H]([NH2+][C@H]2CCN(c3ncccc3F)C2)c2ccccc2)cc1 ZINC000180747786 821431526 /nfs/dbraw/zinc/43/15/26/821431526.db2.gz DSPNBHWGCREEAJ-SIKLNZKXSA-N 1 0 377.463 4.187 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+](C)Cc1ccc(F)cc1F ZINC000043631077 821432480 /nfs/dbraw/zinc/43/24/80/821432480.db2.gz FHZQVBCWBJITCT-UHFFFAOYSA-N 1 0 398.457 4.228 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@@H]1c1c(C)n[nH]c1C)c1ccsc1 ZINC000180771856 821446073 /nfs/dbraw/zinc/44/60/73/821446073.db2.gz FCUCYQNHOSCAJJ-QZTJIDSGSA-N 1 0 389.569 4.018 20 0 GIADRO O=C(N[C@@H](c1ccc(Cl)cc1)C1CC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000043718506 821446361 /nfs/dbraw/zinc/44/63/61/821446361.db2.gz ZKCVWINCRHTYJK-HXUWFJFHSA-N 1 0 375.944 4.451 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+][C@H]1CCN(c2ccccc2F)C1=O ZINC000180772500 821446428 /nfs/dbraw/zinc/44/64/28/821446428.db2.gz YRTYOQBNZYAOTG-DYVFJYSZSA-N 1 0 396.491 4.109 20 0 GIADRO O=C(N[C@@H](c1ccc(Cl)cc1)C1CC1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000043718548 821446440 /nfs/dbraw/zinc/44/64/40/821446440.db2.gz ILTVYRKTDMHMKV-OAQYLSRUSA-N 1 0 398.938 4.150 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3nc(-c4ccco4)sc3C)cc2)CC1 ZINC000043727735 821447805 /nfs/dbraw/zinc/44/78/05/821447805.db2.gz GGCGXVUQSBXZEV-UHFFFAOYSA-N 1 0 396.516 4.106 20 0 GIADRO CCc1ccc([C@H](CNC(=O)c2cnn(-c3cccc(C)c3)c2C)[NH+](C)C)cc1 ZINC000043729013 821448339 /nfs/dbraw/zinc/44/83/39/821448339.db2.gz ACEMYDMYCMKBGT-QHCPKHFHSA-N 1 0 390.531 4.084 20 0 GIADRO CCOc1ccc([C@H]([NH2+]C[C@]2(CCO)CCOC2)c2ccccc2Cl)cc1 ZINC000180775512 821449160 /nfs/dbraw/zinc/44/91/60/821449160.db2.gz PPQRVFHHHXBOAR-VXKWHMMOSA-N 1 0 389.923 4.207 20 0 GIADRO C[C@H]([NH2+]CCNC(=O)c1c(F)cccc1F)c1cccc(-c2ccncc2)c1 ZINC000180789560 821459441 /nfs/dbraw/zinc/45/94/41/821459441.db2.gz GFCLSRAYOOKVQU-HNNXBMFYSA-N 1 0 381.426 4.107 20 0 GIADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)c3nc(Cl)ccc3Cl)CC2)cc1 ZINC000043810438 821462555 /nfs/dbraw/zinc/46/25/55/821462555.db2.gz KOSINCZROCEHGI-UHFFFAOYSA-N 1 0 378.303 4.045 20 0 GIADRO Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000180798808 821464744 /nfs/dbraw/zinc/46/47/44/821464744.db2.gz GDPLRHSRTQYDOE-SFHVURJKSA-N 1 0 389.425 4.233 20 0 GIADRO COc1ccc(NC(=O)C[C@@H](C)[NH2+]CCCOc2cccc3cccnc32)cc1 ZINC000180804604 821467527 /nfs/dbraw/zinc/46/75/27/821467527.db2.gz GUQACKFLHGAZRJ-QGZVFWFLSA-N 1 0 393.487 4.019 20 0 GIADRO CCCc1cnc(NC(=O)N(Cc2ccncc2)C[C@H]2CCC[N@@H+]2CC)s1 ZINC000180805971 821468794 /nfs/dbraw/zinc/46/87/94/821468794.db2.gz RYVZLTGLTWWMMT-QGZVFWFLSA-N 1 0 387.553 4.009 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]CCS(=O)(=O)C(C)(C)C ZINC000180805748 821468961 /nfs/dbraw/zinc/46/89/61/821468961.db2.gz HFXWJGFDSUVWOR-GFCCVEGCSA-N 1 0 384.542 4.122 20 0 GIADRO C[C@@H]([NH2+]CCS(=O)(=O)C(C)(C)C)c1ccc(SCC(F)(F)F)cc1 ZINC000180806788 821469586 /nfs/dbraw/zinc/46/95/86/821469586.db2.gz RLYXYLYPRWJZPO-GFCCVEGCSA-N 1 0 383.501 4.205 20 0 GIADRO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3cccc(OCc4ccc(F)cc4)c3)[C@@H]2C1 ZINC000180817687 821477722 /nfs/dbraw/zinc/47/77/22/821477722.db2.gz UXRWZWUHAGGKEX-YMPZKCBVSA-N 1 0 385.479 4.173 20 0 GIADRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21 ZINC000180821914 821480826 /nfs/dbraw/zinc/48/08/26/821480826.db2.gz YWLBWJMQXOOVDN-IUODEOHRSA-N 1 0 398.981 4.254 20 0 GIADRO CCS(=O)(=O)C[C@H](C)[NH2+][C@H](C)c1sc(-c2ccc(Cl)cc2)nc1C ZINC000180827589 821483804 /nfs/dbraw/zinc/48/38/04/821483804.db2.gz HWXOBWRUHZXOEH-NWDGAFQWSA-N 1 0 386.970 4.246 20 0 GIADRO C[C@@H](NC(=O)C[NH2+][C@H](C)c1ccc(-n2cccn2)cc1)c1ccc(Cl)cc1 ZINC000180836309 821487456 /nfs/dbraw/zinc/48/74/56/821487456.db2.gz AFSHQIFRTQJCSQ-HZPDHXFCSA-N 1 0 382.895 4.054 20 0 GIADRO Cc1ccn(-c2ccccc2C[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)n1 ZINC000180838067 821488603 /nfs/dbraw/zinc/48/86/03/821488603.db2.gz YNJHBQCAZJJMDV-UHFFFAOYSA-N 1 0 384.524 4.106 20 0 GIADRO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000180838103 821488833 /nfs/dbraw/zinc/48/88/33/821488833.db2.gz UHPBZSLMPZLSQQ-JKSUJKDBSA-N 1 0 398.457 4.021 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(SC(=O)N(C)C)c1)c1ccc(-n2cccn2)cc1 ZINC000180843859 821490531 /nfs/dbraw/zinc/49/05/31/821490531.db2.gz ZGGOKWXIXFXYDE-MRXNPFEDSA-N 1 0 380.517 4.497 20 0 GIADRO C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000180847820 821492730 /nfs/dbraw/zinc/49/27/30/821492730.db2.gz MSFJYJDLBLZFGR-HNNXBMFYSA-N 1 0 398.507 4.284 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccccc1Cl)c1ccc(-n2cccn2)cc1 ZINC000180851121 821495452 /nfs/dbraw/zinc/49/54/52/821495452.db2.gz IELCELSXHILKSI-CVEARBPZSA-N 1 0 382.895 4.054 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1ccc(NC(=O)c2ccco2)cc1)c1cccs1 ZINC000043977288 821497395 /nfs/dbraw/zinc/49/73/95/821497395.db2.gz YDQJSDCZLHBHJI-MRXNPFEDSA-N 1 0 398.488 4.018 20 0 GIADRO C[C@H]([NH2+]CCc1nc2c(cccc2F)n1C)c1ccc(F)cc1OC(F)F ZINC000180864551 821501264 /nfs/dbraw/zinc/50/12/64/821501264.db2.gz XJOKASGLZHNXKM-NSHDSACASA-N 1 0 381.373 4.346 20 0 GIADRO Cc1nc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(-c3ccncc3)cc2)sc1C ZINC000180886866 821514935 /nfs/dbraw/zinc/51/49/35/821514935.db2.gz HPPNASLGGWRQJE-HUUCEWRRSA-N 1 0 380.517 4.500 20 0 GIADRO CCN(CC)C(=O)C[C@@H](C)[NH2+][C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000180892667 821519342 /nfs/dbraw/zinc/51/93/42/821519342.db2.gz SWPAOFNMOFSCNH-CABCVRRESA-N 1 0 389.565 4.425 20 0 GIADRO CC(C)C(=O)Nc1cccc(NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000044084345 821519956 /nfs/dbraw/zinc/51/99/56/821519956.db2.gz ZMBIVQGWRNHRTN-NRFANRHFSA-N 1 0 394.519 4.240 20 0 GIADRO COc1ccccc1CNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000180895001 821521315 /nfs/dbraw/zinc/52/13/15/821521315.db2.gz AHJJNCOAMPXIBU-QZTJIDSGSA-N 1 0 389.499 4.113 20 0 GIADRO C[C@H]([NH2+][C@H]1CCN(c2c(F)cccc2F)C1=O)c1ccc(-c2ccncc2)cc1 ZINC000180897303 821522429 /nfs/dbraw/zinc/52/24/29/821522429.db2.gz FBIABZKVYXVFNZ-BTYIYWSLSA-N 1 0 393.437 4.483 20 0 GIADRO CC(=O)c1cccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccc(-c3ccncc3)cc2)c1 ZINC000180899425 821523575 /nfs/dbraw/zinc/52/35/75/821523575.db2.gz YFCCWISVWKPHHX-SBUREZEXSA-N 1 0 390.483 4.042 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1)C(=O)NCc1ccc(F)cc1 ZINC000180900545 821524801 /nfs/dbraw/zinc/52/48/01/821524801.db2.gz MHHNITMPLIOBMY-DLBZAZTESA-N 1 0 377.463 4.243 20 0 GIADRO COC(=O)COc1cccc(C[NH2+][C@@H](c2ccccc2)c2ccc(OC)cc2)c1 ZINC000180901656 821525497 /nfs/dbraw/zinc/52/54/97/821525497.db2.gz OOENNBSYNDHCAD-DEOSSOPVSA-N 1 0 391.467 4.126 20 0 GIADRO COC(=O)COc1cccc(C[NH2+][C@H](C)c2ccc(SC(F)F)cc2)c1 ZINC000180910345 821531781 /nfs/dbraw/zinc/53/17/81/821531781.db2.gz VOJYUSMRUBLUDB-CYBMUJFWSA-N 1 0 381.444 4.404 20 0 GIADRO CCc1cccc(CC)c1NC(=S)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000044158257 821538267 /nfs/dbraw/zinc/53/82/67/821538267.db2.gz ICYCKUNZAIFTBO-UHFFFAOYSA-N 1 0 394.588 4.444 20 0 GIADRO Cc1cc(NC(=O)C[NH2+][C@H](C)c2ccc(-c3ccncc3)cc2)n(C(C)(C)C)n1 ZINC000180921700 821539105 /nfs/dbraw/zinc/53/91/05/821539105.db2.gz SLNGRIGKIVFUBY-QGZVFWFLSA-N 1 0 391.519 4.298 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)Nc2cnn(C(C)(C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000180922783 821539802 /nfs/dbraw/zinc/53/98/02/821539802.db2.gz QJDZGFOJIFWQQK-FXAWDEMLSA-N 1 0 383.540 4.155 20 0 GIADRO CC[N@@H+]1CCC[C@H]1CNC(=S)Nc1cc(NC(=O)c2ccccc2)ccc1C ZINC000044186625 821542220 /nfs/dbraw/zinc/54/22/20/821542220.db2.gz MSBFLNBSXQYAHJ-IBGZPJMESA-N 1 0 396.560 4.018 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cnn(C(C)(C)C)c1 ZINC000180927566 821542949 /nfs/dbraw/zinc/54/29/49/821542949.db2.gz SIVZJNUXXVGDHP-LJQANCHMSA-N 1 0 383.540 4.014 20 0 GIADRO O=C(C[NH+]1CCCCCC1)Nc1ccc(NC(=S)Nc2ccccc2)cc1 ZINC000044191732 821543119 /nfs/dbraw/zinc/54/31/19/821543119.db2.gz LVHOCEVANCTBSU-UHFFFAOYSA-N 1 0 382.533 4.310 20 0 GIADRO C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000180929250 821543241 /nfs/dbraw/zinc/54/32/41/821543241.db2.gz DKBLLKQUNLIEIF-INIZCTEOSA-N 1 0 390.959 4.014 20 0 GIADRO COc1cc(Br)ccc1C[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000180933765 821546025 /nfs/dbraw/zinc/54/60/25/821546025.db2.gz OIUIRYSSIPBXEF-CYBMUJFWSA-N 1 0 375.266 4.211 20 0 GIADRO Cc1nc(CSc2ccccc2C(=O)NC2CC[NH+](C3CC3)CC2)cs1 ZINC000044217175 821549242 /nfs/dbraw/zinc/54/92/42/821549242.db2.gz VWUXPJWLZJTPAM-UHFFFAOYSA-N 1 0 387.574 4.100 20 0 GIADRO CCc1cccc(CC)c1NC(=S)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000044222127 821549741 /nfs/dbraw/zinc/54/97/41/821549741.db2.gz FDBRPDZSKXNJOD-UHFFFAOYSA-N 1 0 382.577 4.157 20 0 GIADRO C[NH+](C)CCOc1cccc(CNC(=S)Nc2cccc(C(F)(F)F)c2)c1 ZINC000044222928 821550130 /nfs/dbraw/zinc/55/01/30/821550130.db2.gz SXLRNILPEIVEJL-UHFFFAOYSA-N 1 0 397.466 4.132 20 0 GIADRO COC(=O)c1ccc(C[NH2+][C@H](C)c2ccc(OCC(F)(F)F)cc2)cc1F ZINC000180947687 821552298 /nfs/dbraw/zinc/55/22/98/821552298.db2.gz YLDRLOYIJASIHZ-GFCCVEGCSA-N 1 0 385.357 4.404 20 0 GIADRO COc1ccc([C@H](NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c2ccccc2)cc1 ZINC000180960249 821557378 /nfs/dbraw/zinc/55/73/78/821557378.db2.gz QKTVQMHAYLDSGA-DSNGMDLFSA-N 1 0 394.559 4.142 20 0 GIADRO COc1ccc(OC)c([C@@H]2CCCN2C(=O)Nc2cccc(C[NH+](C)C)c2)c1 ZINC000044277517 821558618 /nfs/dbraw/zinc/55/86/18/821558618.db2.gz DGPVJJUERGSCPZ-FQEVSTJZSA-N 1 0 383.492 4.134 20 0 GIADRO CCc1nc2ccccc2n1C1CC[NH+](Cc2cccc(C(=O)N(C)C)c2)CC1 ZINC000180966839 821560801 /nfs/dbraw/zinc/56/08/01/821560801.db2.gz AZJNCNYWMUERNC-UHFFFAOYSA-N 1 0 390.531 4.138 20 0 GIADRO CCc1nc2ccccc2n1C1CC[NH+](CC(=O)N([C@@H](C)C2CC2)C2CC2)CC1 ZINC000180965978 821560905 /nfs/dbraw/zinc/56/09/05/821560905.db2.gz XGIJCXHMMMSURX-KRWDZBQOSA-N 1 0 394.563 4.025 20 0 GIADRO CCc1nc2ccccc2n1C1CC[NH+](C[C@@H](O)c2cc(F)ccc2F)CC1 ZINC000180969136 821562668 /nfs/dbraw/zinc/56/26/68/821562668.db2.gz AGWXDOJNTGDBIK-OAQYLSRUSA-N 1 0 385.458 4.247 20 0 GIADRO CC[C@H]([NH2+]C1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1)c1ccc(C)cc1 ZINC000180971459 821564582 /nfs/dbraw/zinc/56/45/82/821564582.db2.gz NNJNBABMZNAXKL-NRFANRHFSA-N 1 0 396.531 4.358 20 0 GIADRO CCOc1cc(Cl)ccc1NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180972619 821565390 /nfs/dbraw/zinc/56/53/90/821565390.db2.gz OCSZYPFFOIWFMD-UHFFFAOYSA-N 1 0 388.899 4.172 20 0 GIADRO COc1ccc(NC(=O)C[C@H](C)[NH2+]Cc2ccccc2OC2CCC2)c(OC)c1 ZINC000180973041 821565615 /nfs/dbraw/zinc/56/56/15/821565615.db2.gz SIPPQTKWKZGXHQ-INIZCTEOSA-N 1 0 398.503 4.142 20 0 GIADRO C[NH+](C)CCN(Cc1ccccc1)C(=O)Nc1cccc(OCC(F)(F)F)c1 ZINC000044310266 821567014 /nfs/dbraw/zinc/56/70/14/821567014.db2.gz VITDILYLDPIPAV-UHFFFAOYSA-N 1 0 395.425 4.223 20 0 GIADRO CN(C)c1ccc(NC(=O)NCc2ccc(C[NH+](C)C)cc2)c(C(F)(F)F)c1 ZINC000044368288 821579184 /nfs/dbraw/zinc/57/91/84/821579184.db2.gz AHJKTEADTVGHBO-UHFFFAOYSA-N 1 0 394.441 4.155 20 0 GIADRO COc1ccc(NC(=O)C[NH2+][C@H](c2cccc(F)c2)C2CCCC2)c(OC)c1 ZINC000180997712 821583708 /nfs/dbraw/zinc/58/37/08/821583708.db2.gz NGUBFZSYQBJZPK-QFIPXVFZSA-N 1 0 386.467 4.303 20 0 GIADRO C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CCCc1nc2ccccc2n1C ZINC000181020867 821597199 /nfs/dbraw/zinc/59/71/99/821597199.db2.gz CDYXOEXVDONWCR-OAHLLOKOSA-N 1 0 384.911 4.166 20 0 GIADRO CCS(=O)(=O)c1ccc(C[NH2+]CC(c2ccccc2)c2ccccc2)cc1 ZINC000181028560 821601266 /nfs/dbraw/zinc/60/12/66/821601266.db2.gz TVBZSLHXQMQZRP-UHFFFAOYSA-N 1 0 379.525 4.402 20 0 GIADRO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H](Cc2ccccc2)C2CC2)c(OC)c1 ZINC000181048816 821610547 /nfs/dbraw/zinc/61/05/47/821610547.db2.gz FPMVVFNWWSZFDF-KKSFZXQISA-N 1 0 382.504 4.032 20 0 GIADRO Cc1ccc2c(c1)[C@@H](Nc1cccc(C[NH+]3CCC(C(N)=O)CC3)c1)[C@@H](C)C2 ZINC000181081621 821623348 /nfs/dbraw/zinc/62/33/48/821623348.db2.gz UUDVDOFQZZIDAG-SBUREZEXSA-N 1 0 377.532 4.038 20 0 GIADRO C[N@H+](CCCn1ccnc1)Cc1c(-c2ccc(Cl)cc2)nc2sccn12 ZINC000181091283 821627986 /nfs/dbraw/zinc/62/79/86/821627986.db2.gz VYPQTCUOJOEZLE-UHFFFAOYSA-N 1 0 385.924 4.435 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]C[C@H](O)c2c(Cl)cccc2Cl)cc1NC(C)=O ZINC000181106617 821636385 /nfs/dbraw/zinc/63/63/85/821636385.db2.gz QHDXHFCLUFKULH-DIFFPNOSSA-N 1 0 397.302 4.345 20 0 GIADRO Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]C1CCC(S(C)(=O)=O)CC1 ZINC000181122039 821646935 /nfs/dbraw/zinc/64/69/35/821646935.db2.gz HRGJYIJUHGSAFA-NNGSBXSVSA-N 1 0 392.590 4.049 20 0 GIADRO Cn1cc([C@H](Nc2cccc(C[NH+]3CCSCC3)c2)c2cccc(F)c2)cn1 ZINC000181130107 821651093 /nfs/dbraw/zinc/65/10/93/821651093.db2.gz RYKQFVMONCKZSV-JOCHJYFZSA-N 1 0 396.535 4.310 20 0 GIADRO CC(=O)Nc1cccc(C(=O)NCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000044756056 821654352 /nfs/dbraw/zinc/65/43/52/821654352.db2.gz FLKUXZMCNWUFEN-ROUUACIJSA-N 1 0 393.531 4.053 20 0 GIADRO CCNC(=O)C(C)(C)C[NH2+][C@H](c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000181137537 821656499 /nfs/dbraw/zinc/65/64/99/821656499.db2.gz UWWWGEUJACNEBK-GOSISDBHSA-N 1 0 376.447 4.129 20 0 GIADRO CCNC(=O)C(C)(C)C[NH2+][C@@H](c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000181137519 821656654 /nfs/dbraw/zinc/65/66/54/821656654.db2.gz UWWWGEUJACNEBK-SFHVURJKSA-N 1 0 376.447 4.129 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]CC(=O)N(C)CC(F)(F)F ZINC000181139473 821658324 /nfs/dbraw/zinc/65/83/24/821658324.db2.gz XMVSXEFOYHHXAC-LBPRGKRZSA-N 1 0 385.455 4.098 20 0 GIADRO Cc1cc(C)cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C(F)(F)F)c1 ZINC000044796620 821664587 /nfs/dbraw/zinc/66/45/87/821664587.db2.gz PFASDFFTZLAOKF-UHFFFAOYSA-N 1 0 391.437 4.326 20 0 GIADRO COC[C@H]([NH2+][C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C)C(C)C ZINC000181167361 821675160 /nfs/dbraw/zinc/67/51/60/821675160.db2.gz JOHKRCLKDYXMJR-VXKWHMMOSA-N 1 0 389.561 4.057 20 0 GIADRO COc1cc(CNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)ccc1OC(C)C ZINC000044905229 821678901 /nfs/dbraw/zinc/67/89/01/821678901.db2.gz XWKQRTJHNJIYEG-NRFANRHFSA-N 1 0 396.531 4.011 20 0 GIADRO CC[C@@H](C)[C@@H](C)C(=O)Nc1ccc(Cl)c(C(=O)NCC[NH+](CC)CC)c1 ZINC000181176697 821679797 /nfs/dbraw/zinc/67/97/97/821679797.db2.gz VNNZZLNANJSJEP-HUUCEWRRSA-N 1 0 381.948 4.032 20 0 GIADRO CN(C(=O)C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)c1nc2ccccc2s1 ZINC000181184841 821683404 /nfs/dbraw/zinc/68/34/04/821683404.db2.gz CESXNQVTIPKQDO-QFBILLFUSA-N 1 0 395.528 4.017 20 0 GIADRO CC(C)CNC(=O)c1cccc(C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)c1 ZINC000181189881 821686299 /nfs/dbraw/zinc/68/62/99/821686299.db2.gz GNXHTSKIJRJHHP-NFBKMPQASA-N 1 0 380.532 4.330 20 0 GIADRO Cc1cc2ncc([C@H](C)[NH2+][C@@H](c3ccc4c(c3)OCCO4)C(C)C)c(C)n2n1 ZINC000181190038 821686405 /nfs/dbraw/zinc/68/64/05/821686405.db2.gz HJPDWUNZYLFVHM-OYHNWAKOSA-N 1 0 380.492 4.165 20 0 GIADRO Cc1cc2ncc([C@@H](C)[NH2+]Cc3c(C)nn(Cc4ccccc4)c3C)c(C)n2n1 ZINC000181191386 821687006 /nfs/dbraw/zinc/68/70/06/821687006.db2.gz PQJLGMCMGBQNEZ-MRXNPFEDSA-N 1 0 388.519 4.059 20 0 GIADRO CN(C)S(=O)(=O)c1ccccc1C[NH2+][C@@H](c1cccs1)C1CCCC1 ZINC000181196877 821691315 /nfs/dbraw/zinc/69/13/15/821691315.db2.gz SPWOFXJXQAAKPI-LJQANCHMSA-N 1 0 378.563 4.020 20 0 GIADRO O=C(C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)Nc1nc2ccc(F)cc2s1 ZINC000181210097 821698591 /nfs/dbraw/zinc/69/85/91/821698591.db2.gz ZXWUJBXMBOQRRI-KBXCAEBGSA-N 1 0 399.491 4.131 20 0 GIADRO c1ccc(-c2noc(CCC[NH2+][C@@H](C[C@H]3CCOC3)c3ccccc3)n2)cc1 ZINC000181213366 821700800 /nfs/dbraw/zinc/70/08/00/821700800.db2.gz QCYXWFJZMDTBPV-NQIIRXRSSA-N 1 0 377.488 4.427 20 0 GIADRO Cc1cccc(COc2ccc([C@@H](C)[NH2+]CC3(CS(C)(=O)=O)CC3)cc2)c1 ZINC000181226054 821705875 /nfs/dbraw/zinc/70/58/75/821705875.db2.gz LYNQWPHVIAYCCC-GOSISDBHSA-N 1 0 387.545 4.049 20 0 GIADRO Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@@H](c1ccccc1)[C@H]1CCCc2ccccc21 ZINC000181240056 821714327 /nfs/dbraw/zinc/71/43/27/821714327.db2.gz XEVCNRMZFHKWQO-URXFXBBRSA-N 1 0 388.515 4.416 20 0 GIADRO CC[C@H](C[NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(F)c1)Oc1ccccc1C ZINC000181241604 821714827 /nfs/dbraw/zinc/71/48/27/821714827.db2.gz BZPDOJSNRKXYLH-NVXWUHKLSA-N 1 0 379.497 4.046 20 0 GIADRO CC[C@@H](C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccc(OC)cc1 ZINC000181247009 821717278 /nfs/dbraw/zinc/71/72/78/821717278.db2.gz URTCZBWZPAFYGY-HSZRJFAPSA-N 1 0 396.531 4.032 20 0 GIADRO COc1c(Br)cccc1C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000181261992 821723485 /nfs/dbraw/zinc/72/34/85/821723485.db2.gz BKPVMWBMEBYESF-UHFFFAOYSA-N 1 0 375.310 4.216 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+]CCc2ccccc2OC(F)(F)F)s1 ZINC000181281770 821732871 /nfs/dbraw/zinc/73/28/71/821732871.db2.gz SNRURLXOKZADNG-GFCCVEGCSA-N 1 0 388.455 4.432 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1)C(=O)NCc1ccccc1F ZINC000181290724 821737632 /nfs/dbraw/zinc/73/76/32/821737632.db2.gz NUMIUAQUVXYDGH-DLBZAZTESA-N 1 0 377.463 4.243 20 0 GIADRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(-c3cccnc3)cc2)cc1 ZINC000181292212 821739425 /nfs/dbraw/zinc/73/94/25/821739425.db2.gz JOIWSYSFEXKRTD-DLBZAZTESA-N 1 0 375.472 4.435 20 0 GIADRO C[C@H]([NH2+][C@H]1CCN(c2ccccc2F)C1=O)c1ccc(-c2cccnc2)cc1 ZINC000181296798 821741380 /nfs/dbraw/zinc/74/13/80/821741380.db2.gz AZRQQNWVGPRPAD-KKSFZXQISA-N 1 0 375.447 4.344 20 0 GIADRO Cc1nc2ccccc2nc1C[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181300957 821743400 /nfs/dbraw/zinc/74/34/00/821743400.db2.gz RQCLMSHBFJKFDE-GOSISDBHSA-N 1 0 384.487 4.103 20 0 GIADRO COCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(Oc3ccccc3)c(F)c1)CC2 ZINC000181301502 821743979 /nfs/dbraw/zinc/74/39/79/821743979.db2.gz SZTHKRBZZBVYAK-DOTOQJQBSA-N 1 0 396.466 4.022 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1)C(=O)NCCc1ccc(F)cc1 ZINC000181313482 821752071 /nfs/dbraw/zinc/75/20/71/821752071.db2.gz ZEOGUAURXSNWQQ-ROUUACIJSA-N 1 0 391.490 4.286 20 0 GIADRO Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCOc1ncc(Cl)cc1Cl ZINC000181340737 821771718 /nfs/dbraw/zinc/77/17/18/821771718.db2.gz FRGUWUMPKCMNSO-CYBMUJFWSA-N 1 0 382.291 4.083 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+]C[C@@H](c2ccccc2Cl)N(C)C)s1 ZINC000181369085 821791553 /nfs/dbraw/zinc/79/15/53/821791553.db2.gz RRFDMEYRJQKQKV-DYVFJYSZSA-N 1 0 381.973 4.247 20 0 GIADRO Cc1cc(Cl)ccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000181385691 821799238 /nfs/dbraw/zinc/79/92/38/821799238.db2.gz UPJXRGCSBZSDMM-CVEARBPZSA-N 1 0 399.922 4.453 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)c1cccc(Br)c1)c1ccccc1-n1cccn1 ZINC000181388937 821800984 /nfs/dbraw/zinc/80/09/84/821800984.db2.gz XVFTXGJOKLTOCX-AUUYWEPGSA-N 1 0 386.293 4.019 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+]CC2(c3ccc(F)cc3)CCOCC2)s1 ZINC000181389622 821801312 /nfs/dbraw/zinc/80/13/12/821801312.db2.gz JUTRZXXNCFHAFM-OAHLLOKOSA-N 1 0 392.540 4.179 20 0 GIADRO Cc1cccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)c1C ZINC000181392828 821802960 /nfs/dbraw/zinc/80/29/60/821802960.db2.gz BAQTXPITXNIMPY-QZTJIDSGSA-N 1 0 379.504 4.108 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)s1 ZINC000181393647 821804030 /nfs/dbraw/zinc/80/40/30/821804030.db2.gz UNIVQFJMOKCLIJ-UONOGXRCSA-N 1 0 389.521 4.009 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)N[C@@H](c2c(F)cccc2F)C(F)(F)F)c1 ZINC000181395684 821805152 /nfs/dbraw/zinc/80/51/52/821805152.db2.gz IJBSGKFPDJFQGG-INIZCTEOSA-N 1 0 387.352 4.452 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+]Cc2ccc(NC(=O)c3ccco3)cc2)s1 ZINC000181395513 821805273 /nfs/dbraw/zinc/80/52/73/821805273.db2.gz AWTYGGVYNICWIR-CQSZACIVSA-N 1 0 399.516 4.337 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+]Cc2ccc(NC(=O)c3ccco3)cc2)s1 ZINC000181395533 821805365 /nfs/dbraw/zinc/80/53/65/821805365.db2.gz AWTYGGVYNICWIR-AWEZNQCLSA-N 1 0 399.516 4.337 20 0 GIADRO COc1cccc2cc([C@@H](C)[NH2+]CC(=O)Nc3ccc(F)c(F)c3F)oc21 ZINC000181403497 821808529 /nfs/dbraw/zinc/80/85/29/821808529.db2.gz HSINRBZUSCXOIT-SNVBAGLBSA-N 1 0 378.350 4.148 20 0 GIADRO Cc1cc(C)n(-c2ccc(C[NH2+][C@H](C)c3cccc(N4CCCC4=O)c3)cc2)n1 ZINC000181413458 821812302 /nfs/dbraw/zinc/81/23/02/821812302.db2.gz BYENNNYYBYNDEQ-LJQANCHMSA-N 1 0 388.515 4.467 20 0 GIADRO CSc1cccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)c1 ZINC000181423421 821819212 /nfs/dbraw/zinc/81/92/12/821819212.db2.gz ODRWYVBIRRUAAB-JKSUJKDBSA-N 1 0 397.544 4.213 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(NC(C)=O)cc2)c(Br)c1 ZINC000181427996 821821522 /nfs/dbraw/zinc/82/15/22/821821522.db2.gz ZIKCOGSXNJBSMZ-GFCCVEGCSA-N 1 0 377.282 4.267 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)s1 ZINC000181427979 821821882 /nfs/dbraw/zinc/82/18/82/821821882.db2.gz WOISRRMUDPWESK-CQSZACIVSA-N 1 0 390.549 4.447 20 0 GIADRO CC(C)OC(=O)c1ccc(C[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)cc1 ZINC000181434736 821826007 /nfs/dbraw/zinc/82/60/07/821826007.db2.gz QLUXKAYVPOLBQF-QGZVFWFLSA-N 1 0 380.488 4.229 20 0 GIADRO CCN(CC)c1ccc(C(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000181455310 821833727 /nfs/dbraw/zinc/83/37/27/821833727.db2.gz URHKGFFIQIPEIZ-UHFFFAOYSA-N 1 0 394.563 4.307 20 0 GIADRO Cc1ccc(-c2cnc(CCC(=O)N[C@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)o2)cc1 ZINC000181459229 821835418 /nfs/dbraw/zinc/83/54/18/821835418.db2.gz PDTONNBMSOKMAD-UYAOXDASSA-N 1 0 395.547 4.352 20 0 GIADRO C[C@H](NC(=O)c1ccnc(OCc2ccccc2)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181460614 821836659 /nfs/dbraw/zinc/83/66/59/821836659.db2.gz BZDJSCOXMFJNBN-RXVVDRJESA-N 1 0 393.531 4.043 20 0 GIADRO CCCOc1ccc(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1OCC ZINC000181483267 821846701 /nfs/dbraw/zinc/84/67/01/821846701.db2.gz PLFYYHAOIFNFLF-HKUYNNGSSA-N 1 0 388.552 4.257 20 0 GIADRO CCO[C@H]1C[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3F)CC2)C1(CC)CC ZINC000181496546 821853286 /nfs/dbraw/zinc/85/32/86/821853286.db2.gz ABCZUZYLGIHQSF-UXHICEINSA-N 1 0 376.516 4.004 20 0 GIADRO CCO[C@@H]1C[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3F)CC2)C12CCCCC2 ZINC000181497016 821853788 /nfs/dbraw/zinc/85/37/88/821853788.db2.gz JVMKQBBZRLFCAV-NHCUHLMSSA-N 1 0 388.527 4.148 20 0 GIADRO C[C@H](NC(=O)CCCc1nc2ccccc2s1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181498646 821854947 /nfs/dbraw/zinc/85/49/47/821854947.db2.gz IFFCIOJIHKRBMH-DLBZAZTESA-N 1 0 385.577 4.388 20 0 GIADRO CCOC(=O)Nc1ccc(NC2CC[NH+](Cc3ccccc3)CC2)cc1C#N ZINC000181508154 821858809 /nfs/dbraw/zinc/85/88/09/821858809.db2.gz HXQDVDMANYEGJZ-UHFFFAOYSA-N 1 0 378.476 4.203 20 0 GIADRO CCOc1ccccc1OCCCC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181508321 821859429 /nfs/dbraw/zinc/85/94/29/821859429.db2.gz ZJSLQXADZWCYCI-MOPGFXCFSA-N 1 0 388.552 4.014 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3cccn3)cc2)c(Br)c1 ZINC000181509930 821860387 /nfs/dbraw/zinc/86/03/87/821860387.db2.gz MGQRMGUYPISZGF-CQSZACIVSA-N 1 0 386.293 4.494 20 0 GIADRO CO[C@H](C)c1nc(C[NH2+][C@@H](CNC(=O)OC(C)(C)C)C2CCCCC2)cs1 ZINC000181514524 821862595 /nfs/dbraw/zinc/86/25/95/821862595.db2.gz GRJGSDIDYFPGMY-PBHICJAKSA-N 1 0 397.585 4.414 20 0 GIADRO C[C@H](NC(=O)c1cnc(Cc2ccccc2)s1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181531387 821869082 /nfs/dbraw/zinc/86/90/82/821869082.db2.gz FTZRNLRXIXRKRZ-FUHWJXTLSA-N 1 0 383.561 4.117 20 0 GIADRO COc1ccc(C[NH+]2CCC(OCc3ccc(F)cc3)CC2)c(OC)c1OC ZINC000181533778 821870584 /nfs/dbraw/zinc/87/05/84/821870584.db2.gz XQEXBUOBZUFYFZ-UHFFFAOYSA-N 1 0 389.467 4.033 20 0 GIADRO C[C@@H](NC(=O)c1ccc(Br)cc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181544952 821875366 /nfs/dbraw/zinc/87/53/66/821875366.db2.gz QDOAAJSFEGPNHZ-OLZOCXBDSA-N 1 0 399.760 4.485 20 0 GIADRO C[C@@H](NC(=O)c1cnc(-c2ccsc2)s1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181547121 821875896 /nfs/dbraw/zinc/87/58/96/821875896.db2.gz IEPIDYONKBOSEE-ZIAGYGMSSA-N 1 0 375.563 4.254 20 0 GIADRO COC1(C[NH2+][C@H](C)c2cnn(-c3ccc(Cl)cc3Cl)c2C)CCOCC1 ZINC000181548966 821877017 /nfs/dbraw/zinc/87/70/17/821877017.db2.gz FQRNEJFKDABMBD-CYBMUJFWSA-N 1 0 398.334 4.334 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1cc2cc(Cl)ccc2o1 ZINC000181556320 821880014 /nfs/dbraw/zinc/88/00/14/821880014.db2.gz BKFFDUUCQQSBRJ-CYBMUJFWSA-N 1 0 392.908 4.187 20 0 GIADRO Cc1c([C@H](C)[NH2+]CCc2nnc(-c3ccccc3)o2)cnn1-c1ccc(F)cc1 ZINC000181559392 821881099 /nfs/dbraw/zinc/88/10/99/821881099.db2.gz JNLALAXJFQXONQ-HNNXBMFYSA-N 1 0 391.450 4.263 20 0 GIADRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000181568760 821883590 /nfs/dbraw/zinc/88/35/90/821883590.db2.gz VIZQBKJTOSMXSO-HNNXBMFYSA-N 1 0 380.879 4.304 20 0 GIADRO CNC(=O)c1cccc(C[NH2+][C@@H](C)c2cc3cc(Br)ccc3o2)c1 ZINC000181584706 821890035 /nfs/dbraw/zinc/89/00/35/821890035.db2.gz UKPJZKDEGKFOCR-LBPRGKRZSA-N 1 0 387.277 4.406 20 0 GIADRO O=c1cc(C[NH2+][C@H](Cc2ccccc2Cl)c2ccccc2)nc2ccccn12 ZINC000181598569 821897120 /nfs/dbraw/zinc/89/71/20/821897120.db2.gz QUQPTLLUTPKGBF-OAQYLSRUSA-N 1 0 389.886 4.422 20 0 GIADRO COc1cc(NCC[NH2+][C@H](C)c2sc(-c3cccnc3)nc2C)cc(OC)c1 ZINC000181604640 821899225 /nfs/dbraw/zinc/89/92/25/821899225.db2.gz MXYDCAJSRZFYIL-CQSZACIVSA-N 1 0 398.532 4.293 20 0 GIADRO CCOCc1ccc(CNC(=O)C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2)cc1 ZINC000181607249 821900502 /nfs/dbraw/zinc/90/05/02/821900502.db2.gz QOIHMFCQOAFELK-OAHLLOKOSA-N 1 0 394.437 4.209 20 0 GIADRO Cc1cc(NC(=O)C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2)n(C(C)(C)C)n1 ZINC000181609325 821901812 /nfs/dbraw/zinc/90/18/12/821901812.db2.gz KZPNTGLKODUUMK-ZDUSSCGKSA-N 1 0 382.430 4.255 20 0 GIADRO CC(C)(C)[C@@H]([NH2+]CCC(=O)Nc1cc(N)ccc1F)c1ccc(F)cc1F ZINC000181617576 821905679 /nfs/dbraw/zinc/90/56/79/821905679.db2.gz MBQAUNLGLMUOHT-IBGZPJMESA-N 1 0 379.426 4.392 20 0 GIADRO Cc1noc(C)c1[C@H](C)C[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000181627233 821911211 /nfs/dbraw/zinc/91/12/11/821911211.db2.gz JPIAEIYKSBWYPC-VXGBXAGGSA-N 1 0 394.313 4.164 20 0 GIADRO CC(C)[C@@H]([NH2+]CC(=O)Nc1ccccc1OC(F)F)c1ccc(F)cc1F ZINC000181641250 821919188 /nfs/dbraw/zinc/91/91/88/821919188.db2.gz UVMGWDGDMHQEGM-GOSISDBHSA-N 1 0 384.373 4.492 20 0 GIADRO C[N@@H+](Cc1csc(Br)c1)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000181656926 821926903 /nfs/dbraw/zinc/92/69/03/821926903.db2.gz JKHOUMRKWXFZDI-UHFFFAOYSA-N 1 0 387.387 4.227 20 0 GIADRO CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000181663063 821929578 /nfs/dbraw/zinc/92/95/78/821929578.db2.gz PIGMCQBFQOERGG-YLJYHZDGSA-N 1 0 385.529 4.275 20 0 GIADRO Cc1ccccc1[C@@H](OC[C@@H](O)C[NH2+][C@@H](C)c1cccnc1)c1ccccc1 ZINC000181663111 821930512 /nfs/dbraw/zinc/93/05/12/821930512.db2.gz UKYGFHBGSOPSCA-APTRMMRNSA-N 1 0 376.500 4.208 20 0 GIADRO CCC[C@@H]([NH2+]CC(=O)N1CCC[C@@H](C(F)(F)F)C1)c1ccc(F)cc1F ZINC000181675577 821938391 /nfs/dbraw/zinc/93/83/91/821938391.db2.gz OYDLCEUBMSTGDI-MLGOLLRUSA-N 1 0 378.385 4.197 20 0 GIADRO Cc1cc(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)ccc1NC(=O)CC(C)C ZINC000181683294 821942423 /nfs/dbraw/zinc/94/24/23/821942423.db2.gz GBYHGXJLLSTNEW-QUCCMNQESA-N 1 0 399.579 4.362 20 0 GIADRO Cc1cc(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)ccc1NC(=O)CC(C)C ZINC000181683273 821942562 /nfs/dbraw/zinc/94/25/62/821942562.db2.gz GBYHGXJLLSTNEW-ICSRJNTNSA-N 1 0 399.579 4.362 20 0 GIADRO C[C@H]([NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)c1ccc(N2CCOC2=O)cc1 ZINC000181706644 821951720 /nfs/dbraw/zinc/95/17/20/821951720.db2.gz ARZHKGHALRVJLP-NPPFBWRTSA-N 1 0 380.488 4.462 20 0 GIADRO CC(C)C[N@H+](C[C@@H](O)c1ccc(F)cc1)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000181717469 821958517 /nfs/dbraw/zinc/95/85/17/821958517.db2.gz ZLDOTYKZZIZCKL-OAQYLSRUSA-N 1 0 392.559 4.102 20 0 GIADRO CCc1nn(C)c(CC)c1C[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000181723899 821961897 /nfs/dbraw/zinc/96/18/97/821961897.db2.gz JLOQDIBFKDPNLP-QGZVFWFLSA-N 1 0 392.341 4.311 20 0 GIADRO CS(=O)(=O)C[C@@H]([NH2+]CCCSc1ccccc1Cl)c1ccccc1 ZINC000181767383 821984211 /nfs/dbraw/zinc/98/42/11/821984211.db2.gz ZKMODHVUYCGCLC-QGZVFWFLSA-N 1 0 383.966 4.198 20 0 GIADRO CC(C)N(CC[NH+](C)C)C(=O)Nc1ccc(Br)cc1C(F)(F)F ZINC000181769877 821985743 /nfs/dbraw/zinc/98/57/43/821985743.db2.gz CYXKEZSOSMUAJT-UHFFFAOYSA-N 1 0 396.251 4.272 20 0 GIADRO CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000181772770 821986578 /nfs/dbraw/zinc/98/65/78/821986578.db2.gz QXCGRHOEJFNKKN-INIZCTEOSA-N 1 0 396.487 4.149 20 0 GIADRO CC[C@@H](NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1cc(F)cc(Br)c1 ZINC000181774885 821987819 /nfs/dbraw/zinc/98/78/19/821987819.db2.gz DELJBHWYZMARAX-IFXJQAMLSA-N 1 0 399.348 4.130 20 0 GIADRO CC[C@@H]([NH2+]CCCOCC1CCOCC1)c1cc(F)cc(Br)c1 ZINC000181789893 821993475 /nfs/dbraw/zinc/99/34/75/821993475.db2.gz FDCZLTCYSXAJRP-GOSISDBHSA-N 1 0 388.321 4.462 20 0 GIADRO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@](C)(O)c1ccc(F)cc1 ZINC000181791571 821993795 /nfs/dbraw/zinc/99/37/95/821993795.db2.gz KBEQKYLBMYWXJZ-DJJJIMSYSA-N 1 0 398.400 4.059 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]C[C@@H](CCO)c2ccccc2)c(Br)c1 ZINC000181794961 821995920 /nfs/dbraw/zinc/99/59/20/821995920.db2.gz DEGSACITUHYBAQ-GDBMZVCRSA-N 1 0 378.310 4.275 20 0 GIADRO Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1 ZINC000181800597 821998198 /nfs/dbraw/zinc/99/81/98/821998198.db2.gz CCWBBUNXQQAOPQ-WMZOPIPTSA-N 1 0 388.458 4.296 20 0 GIADRO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(N3CCCCC3)cc2)cc1[N+](=O)[O-] ZINC000181815196 822004091 /nfs/dbraw/zinc/00/40/91/822004091.db2.gz JRZBEBPBNVFZTG-QGZVFWFLSA-N 1 0 396.491 4.183 20 0 GIADRO C[C@@H]([NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1)c1cccc(-c2ccncc2)c1 ZINC000181817059 822004871 /nfs/dbraw/zinc/00/48/71/822004871.db2.gz RJBXTVPSMIFBKN-TZIWHRDSSA-N 1 0 385.511 4.448 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@H](C)Cc2c(C)nn(C)c2C)c(Br)c1 ZINC000181818769 822005259 /nfs/dbraw/zinc/00/52/59/822005259.db2.gz RYSFIYGUYYIYBE-VXGBXAGGSA-N 1 0 380.330 4.090 20 0 GIADRO C[C@H]([NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(F)cc1OC(F)F ZINC000181826464 822008135 /nfs/dbraw/zinc/00/81/35/822008135.db2.gz ICOSJVAQAOKFHZ-GOEBONIOSA-N 1 0 392.421 4.126 20 0 GIADRO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(F)cc1OC(F)F ZINC000181826446 822008240 /nfs/dbraw/zinc/00/82/40/822008240.db2.gz ICOSJVAQAOKFHZ-ZBFHGGJFSA-N 1 0 392.421 4.126 20 0 GIADRO O=C1C[C@@H](C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)CN1Cc1ccccc1 ZINC000181826513 822008334 /nfs/dbraw/zinc/00/83/34/822008334.db2.gz NHJZCWOOOJWWNP-PZJWPPBQSA-N 1 0 376.500 4.071 20 0 GIADRO CC(C)N(CC[NH+](C)C)C(=O)Nc1cccc(COCCc2ccccc2)c1 ZINC000181826607 822008778 /nfs/dbraw/zinc/00/87/78/822008778.db2.gz VBDCOEXKRYYXLS-UHFFFAOYSA-N 1 0 383.536 4.250 20 0 GIADRO C[C@@H]([NH2+]CC(=O)NC1(c2ccccc2)CCC1)c1cccc(N2CCCC2)c1 ZINC000181855535 822017370 /nfs/dbraw/zinc/01/73/70/822017370.db2.gz QEQCCEZTAFFLPV-LJQANCHMSA-N 1 0 377.532 4.133 20 0 GIADRO C[C@H](C[NH2+][C@H](C)c1ccc(OCC#N)cc1)Oc1ccccc1Br ZINC000181858147 822018377 /nfs/dbraw/zinc/01/83/77/822018377.db2.gz AXFTUVBCKIAHQA-HUUCEWRRSA-N 1 0 389.293 4.470 20 0 GIADRO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2cccc(N3CCCC3)c2)cc1Cl ZINC000181862155 822019644 /nfs/dbraw/zinc/01/96/44/822019644.db2.gz XBQYJPWFKOIMPW-HNNXBMFYSA-N 1 0 387.911 4.238 20 0 GIADRO COC(=O)c1cccc(C[NH2+][C@H](C)c2ccc(OC)c(Br)c2)c1 ZINC000181905884 822033297 /nfs/dbraw/zinc/03/32/97/822033297.db2.gz RTUCSTQOYXEJJB-GFCCVEGCSA-N 1 0 378.266 4.095 20 0 GIADRO COc1cccc([C@@H](C[NH2+][C@@H](C)c2ccc(NC(C)=O)cc2)N2CCCC2)c1 ZINC000181915540 822035780 /nfs/dbraw/zinc/03/57/80/822035780.db2.gz OWFWPAGOIFGZNW-GAJHUEQPSA-N 1 0 381.520 4.141 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)C[NH2+][C@@H](CC2CCCC2)c2ccccc2)cc1 ZINC000181943874 822041812 /nfs/dbraw/zinc/04/18/12/822041812.db2.gz HTFCLVZDJNZJND-QFIPXVFZSA-N 1 0 379.504 4.495 20 0 GIADRO CC(=O)Nc1ccc([C@@H](C)[NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)cc1 ZINC000181968444 822048451 /nfs/dbraw/zinc/04/84/51/822048451.db2.gz IFNKWSYUMVNXHY-OAHLLOKOSA-N 1 0 387.474 4.238 20 0 GIADRO CC(C)[C@H]([NH2+]Cc1cncc(Br)c1)c1ccc2c(c1)OCCO2 ZINC000181982192 822052022 /nfs/dbraw/zinc/05/20/22/822052022.db2.gz BRYDEYGCOLBKJW-SFHVURJKSA-N 1 0 377.282 4.102 20 0 GIADRO COc1ccc(C2(C[NH2+][C@H]3CCCOc4cc(F)ccc43)CCOCC2)cc1 ZINC000181994111 822056624 /nfs/dbraw/zinc/05/66/24/822056624.db2.gz OFMAFEQEKCROMB-NRFANRHFSA-N 1 0 385.479 4.386 20 0 GIADRO O=C(Nc1ccc(C[NH2+][C@@H]2CCCOc3cc(F)ccc32)cc1)c1cccnc1 ZINC000182037893 822070252 /nfs/dbraw/zinc/07/02/52/822070252.db2.gz ALHJPPVMOOPTSX-OAQYLSRUSA-N 1 0 391.446 4.477 20 0 GIADRO CCC[C@@H]1CN(C(=O)C[C@@H](C)c2c(C)noc2C)CC[N@@H+]1Cc1ccccc1 ZINC000182056191 822076898 /nfs/dbraw/zinc/07/68/98/822076898.db2.gz HDWPACFGHITDCD-DYESRHJHSA-N 1 0 383.536 4.298 20 0 GIADRO C[C@@H](CC(=O)Nc1ccccc1C[NH+]1CCC(O)CC1)c1ccc(F)cc1F ZINC000182057571 822077046 /nfs/dbraw/zinc/07/70/46/822077046.db2.gz DEWDPXWFTNKLKA-HNNXBMFYSA-N 1 0 388.458 4.054 20 0 GIADRO CC(C)(CCC(=O)Nc1ccccc1C[NH+]1CCC(O)CC1)c1ccccc1 ZINC000182061549 822078313 /nfs/dbraw/zinc/07/83/13/822078313.db2.gz MBRHWNQLXFSETE-UHFFFAOYSA-N 1 0 380.532 4.340 20 0 GIADRO CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)c1cc2cccc(OC)c2o1 ZINC000182065730 822079502 /nfs/dbraw/zinc/07/95/02/822079502.db2.gz GYQDGEIBDUQREV-DOTOQJQBSA-N 1 0 387.501 4.345 20 0 GIADRO CC(=O)Nc1ccc([C@@H](C)[NH2+][C@@H](CNC(=O)OC(C)(C)C)CC(C)C)cc1 ZINC000182076219 822083334 /nfs/dbraw/zinc/08/33/34/822083334.db2.gz ATMHLTNWPJXJRQ-DNVCBOLYSA-N 1 0 377.529 4.235 20 0 GIADRO CC(=O)Nc1ccc([C@H](C)[NH2+]Cc2cccc(COC3CCOCC3)c2)cc1 ZINC000182077283 822083667 /nfs/dbraw/zinc/08/36/67/822083667.db2.gz XFRRJYZNXPPYJZ-KRWDZBQOSA-N 1 0 382.504 4.191 20 0 GIADRO CC(=O)Nc1ccc([C@H](C)[NH2+]CC2(N[C@@H](C)c3ccccc3)CCOCC2)cc1 ZINC000182089986 822089262 /nfs/dbraw/zinc/08/92/62/822089262.db2.gz OVKRROLSOVDGPP-OALUTQOASA-N 1 0 395.547 4.196 20 0 GIADRO O=C(c1ccccc1)N1CCC(C[NH2+][C@@H]2CCCOc3cc(F)ccc32)CC1 ZINC000182089854 822089464 /nfs/dbraw/zinc/08/94/64/822089464.db2.gz KRWBXFMMYYKYOM-OAQYLSRUSA-N 1 0 382.479 4.181 20 0 GIADRO CC(=O)Nc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccccc3Cl)C2=O)cc1 ZINC000182097866 822092651 /nfs/dbraw/zinc/09/26/51/822092651.db2.gz SJXJARLFCUIINN-AUUYWEPGSA-N 1 0 385.895 4.145 20 0 GIADRO C[S@@](=O)C[C@H]([NH2+]Cc1cccc(OCc2ccccc2)c1)c1ccccc1 ZINC000182100009 822093623 /nfs/dbraw/zinc/09/36/23/822093623.db2.gz GPODLUVKQAHNGZ-WNCULLNHSA-N 1 0 379.525 4.475 20 0 GIADRO CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)cc1 ZINC000182100099 822093641 /nfs/dbraw/zinc/09/36/41/822093641.db2.gz XIKDJXMFAHTRRQ-QKYXUNIQSA-N 1 0 389.540 4.379 20 0 GIADRO COC(=O)c1ccc(F)c(C[NH2+][C@H](C)c2ccc(OCC(F)(F)F)cc2)c1 ZINC000182111340 822098171 /nfs/dbraw/zinc/09/81/71/822098171.db2.gz FBHJHSWEEKAVCI-GFCCVEGCSA-N 1 0 385.357 4.404 20 0 GIADRO CCOc1cccc(C[NH2+][C@H](C)c2ccc(NC(C)=O)cc2)c1OC(F)F ZINC000182117016 822100973 /nfs/dbraw/zinc/10/09/73/822100973.db2.gz BLIJPVHBVGXSDC-CYBMUJFWSA-N 1 0 378.419 4.496 20 0 GIADRO O=C(Nc1ccc(COc2ccccc2)cc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000182157265 822122578 /nfs/dbraw/zinc/12/25/78/822122578.db2.gz UOAFACWAQUFKON-HXUWFJFHSA-N 1 0 379.504 4.215 20 0 GIADRO C[C@H]([NH2+][C@H]1CCCOc2cc(Cl)ccc21)c1ccc(NS(C)(=O)=O)cc1 ZINC000182167591 822127615 /nfs/dbraw/zinc/12/76/15/822127615.db2.gz HYWSEXGDHALSER-UGSOOPFHSA-N 1 0 394.924 4.276 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCCOc2c(Cl)cccc21)c1ccc(S(C)(=O)=O)cc1 ZINC000182179680 822135368 /nfs/dbraw/zinc/13/53/68/822135368.db2.gz WHTAWAUYKBBYQJ-ACJLOTCBSA-N 1 0 379.909 4.308 20 0 GIADRO C[C@H]([NH2+][C@H]1CCCOc2c(Cl)cccc21)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000182181705 822135897 /nfs/dbraw/zinc/13/58/97/822135897.db2.gz MJXZPBBRQYCJIH-SJCJKPOMSA-N 1 0 397.899 4.447 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)N(C)C[C@@H](C)c1nccs1)c1ccsc1 ZINC000182187710 822138824 /nfs/dbraw/zinc/13/88/24/822138824.db2.gz BALZEBFUFNLEFL-GDBMZVCRSA-N 1 0 380.583 4.033 20 0 GIADRO Cc1ccc(N[C@H](C)c2cccc(OCC[NH+](C)C)c2)cc1N1CCOC1=O ZINC000182272310 822181908 /nfs/dbraw/zinc/18/19/08/822181908.db2.gz VPZJMOWAQFUXQA-QGZVFWFLSA-N 1 0 383.492 4.065 20 0 GIADRO CC[C@@H]([NH2+]CC(=O)Nc1nc(CN2CCCC2)cs1)c1ccc(Cl)cc1 ZINC000182307098 822196711 /nfs/dbraw/zinc/19/67/11/822196711.db2.gz XIIHLPQFYWGLNC-QGZVFWFLSA-N 1 0 392.956 4.072 20 0 GIADRO CC[C@H]([NH2+]Cc1nc(=O)c2c([nH]1)sc(C)c2-c1ccc(C)cc1)[C@@H]1CCCO1 ZINC000182334702 822205635 /nfs/dbraw/zinc/20/56/35/822205635.db2.gz ZSBCWNAOWFWYRC-IRXDYDNUSA-N 1 0 397.544 4.316 20 0 GIADRO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(Br)cc2)cc1 ZINC000182336987 822207095 /nfs/dbraw/zinc/20/70/95/822207095.db2.gz JQYGNPKSEZAPSE-ZDUSSCGKSA-N 1 0 382.323 4.094 20 0 GIADRO C[C@@H](SCc1ccccc1)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000182352779 822211569 /nfs/dbraw/zinc/21/15/69/822211569.db2.gz PJWPPSIPNIVMFA-GOSISDBHSA-N 1 0 397.588 4.477 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)CCc3ccc(Cl)cc3)cc2)CC1 ZINC000182353562 822212141 /nfs/dbraw/zinc/21/21/41/822212141.db2.gz YJMVNJZZMSLESL-UHFFFAOYSA-N 1 0 385.939 4.442 20 0 GIADRO Cc1cc2ccccc2n1CC(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000182353456 822212233 /nfs/dbraw/zinc/21/22/33/822212233.db2.gz JJUOZTCUSJLJLI-UHFFFAOYSA-N 1 0 390.531 4.119 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)/C=C/SCc3ccco3)cc2)CC1 ZINC000182355167 822212740 /nfs/dbraw/zinc/21/27/40/822212740.db2.gz VYVVSLVHYYUMNP-RVDMUPIBSA-N 1 0 385.533 4.196 20 0 GIADRO Cc1ccc(CCC(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)c(C)c1 ZINC000182366319 822217186 /nfs/dbraw/zinc/21/71/86/822217186.db2.gz QHBXYAXMICFTEK-UHFFFAOYSA-N 1 0 379.548 4.405 20 0 GIADRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(OC)c(OC)c2Br)c1 ZINC000182367395 822217220 /nfs/dbraw/zinc/21/72/20/822217220.db2.gz NPAGZLQYUHUUPH-LLVKDONJSA-N 1 0 396.281 4.031 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)CCc3cccc(F)c3F)cc2)CC1 ZINC000182371554 822219045 /nfs/dbraw/zinc/21/90/45/822219045.db2.gz UTOFGPISBZOPQU-UHFFFAOYSA-N 1 0 387.474 4.067 20 0 GIADRO COc1ccc([C@@H](C)CC(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)cc1 ZINC000182373349 822219315 /nfs/dbraw/zinc/21/93/15/822219315.db2.gz OJKZOJSBVCSSRJ-SFHVURJKSA-N 1 0 395.547 4.358 20 0 GIADRO CC(C)Oc1ccccc1CC(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000182374098 822219704 /nfs/dbraw/zinc/21/97/04/822219704.db2.gz VIVIIZGONLCHNE-UHFFFAOYSA-N 1 0 395.547 4.185 20 0 GIADRO C/C(=C\C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1)c1cccc(F)c1 ZINC000182373730 822219904 /nfs/dbraw/zinc/21/99/04/822219904.db2.gz CYESKCNBATZIRA-BMRADRMJSA-N 1 0 381.495 4.398 20 0 GIADRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)c1 ZINC000182375523 822220251 /nfs/dbraw/zinc/22/02/51/822220251.db2.gz NWUVUMADVSLAPP-YESZJQIVSA-N 1 0 392.499 4.471 20 0 GIADRO CC[C@H](C)Oc1cc(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)ccn1 ZINC000182384611 822223670 /nfs/dbraw/zinc/22/36/70/822223670.db2.gz GQQXMZKKQDSOCQ-KRWDZBQOSA-N 1 0 396.535 4.042 20 0 GIADRO CC(C)Oc1ccc([C@H](C)NC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000182396323 822228425 /nfs/dbraw/zinc/22/84/25/822228425.db2.gz YZMDKQPBSZCQEF-NLWGTHIKSA-N 1 0 387.568 4.487 20 0 GIADRO C[C@@H](NC(=O)N[C@@H](C)c1ccc(OC(F)F)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182403842 822231433 /nfs/dbraw/zinc/23/14/33/822231433.db2.gz RSYZKOUZUJYMTI-ZMSDIMECSA-N 1 0 395.494 4.301 20 0 GIADRO C[C@H]([NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1)c1ccc(C(F)(F)F)cc1 ZINC000182421500 822236855 /nfs/dbraw/zinc/23/68/55/822236855.db2.gz YTBOGZVESUYJFG-NSHDSACASA-N 1 0 381.785 4.218 20 0 GIADRO CC[C@H]([NH2+]C[C@@H](c1ccccc1)N1CCc2sccc2C1)c1nccn1C ZINC000182451715 822246821 /nfs/dbraw/zinc/24/68/21/822246821.db2.gz NCLSYXOFGLEGRO-PMACEKPBSA-N 1 0 380.561 4.322 20 0 GIADRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2c3ccccc3oc2C(C)=O)c1 ZINC000182453533 822248092 /nfs/dbraw/zinc/24/80/92/822248092.db2.gz FZBBGJYUUCRPCD-OLZOCXBDSA-N 1 0 396.443 4.027 20 0 GIADRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(Cl)cc1)c1cccc(OC(F)F)c1 ZINC000177969093 822262235 /nfs/dbraw/zinc/26/22/35/822262235.db2.gz PZPMSSCRZJNRJS-LBPRGKRZSA-N 1 0 389.851 4.066 20 0 GIADRO O=S(=O)(CC[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21)c1ccc(Cl)cc1 ZINC000177969939 822262512 /nfs/dbraw/zinc/26/25/12/822262512.db2.gz YCBAXDHFMHJMHS-GOSISDBHSA-N 1 0 391.920 4.150 20 0 GIADRO CC(=O)c1ccc(NC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cc1Cl ZINC000182488997 822263571 /nfs/dbraw/zinc/26/35/71/822263571.db2.gz ACXKPINVBGXVII-UHFFFAOYSA-N 1 0 385.895 4.282 20 0 GIADRO Fc1cc(C[N@@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)c2c(c1)COCO2 ZINC000177974430 822264793 /nfs/dbraw/zinc/26/47/93/822264793.db2.gz CDKGLFGPWUPIQI-AWEZNQCLSA-N 1 0 388.508 4.407 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CC2(CCC2)Oc2ccccc21)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000177975031 822265286 /nfs/dbraw/zinc/26/52/86/822265286.db2.gz GHBVDOXAVYKMDY-RDTXWAMCSA-N 1 0 389.492 4.326 20 0 GIADRO CC[C@@H](C)[N@H+](CCCOCc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000182524331 822282563 /nfs/dbraw/zinc/28/25/63/822282563.db2.gz LQJKJCIAWNWBPA-GOSISDBHSA-N 1 0 379.504 4.131 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(C(=O)Nc3ccccc3)c2C)C1 ZINC000178025796 822288437 /nfs/dbraw/zinc/28/84/37/822288437.db2.gz YLUORPZPVPQNPU-SFHVURJKSA-N 1 0 394.519 4.053 20 0 GIADRO COc1cc(C[NH2+][C@@H](C)c2ccc(C3CCCCC3)cc2)ccc1OCC(N)=O ZINC000178029040 822289489 /nfs/dbraw/zinc/28/94/89/822289489.db2.gz JMHWRSDGXGECRM-KRWDZBQOSA-N 1 0 396.531 4.458 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+]CC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)c1 ZINC000182537455 822289698 /nfs/dbraw/zinc/28/96/98/822289698.db2.gz OZHARURGGOUUCP-GJZGRUSLSA-N 1 0 387.911 4.169 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(C)ccc2SCC(F)(F)F)C1 ZINC000178038296 822293493 /nfs/dbraw/zinc/29/34/93/822293493.db2.gz MLDYZDKJMCTVSF-AWEZNQCLSA-N 1 0 389.487 4.455 20 0 GIADRO CC(=O)c1ccc(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1Cl ZINC000182543822 822293798 /nfs/dbraw/zinc/29/37/98/822293798.db2.gz KSFRIXLHVZEVQZ-SFHVURJKSA-N 1 0 389.883 4.484 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CC(=O)N(C)[C@H](C)c2cc3ccccc3o2)c1 ZINC000182547323 822295645 /nfs/dbraw/zinc/29/56/45/822295645.db2.gz OFBYHFGGQLODJZ-HZPDHXFCSA-N 1 0 393.487 4.261 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(Cl)cn3)cc2)C1 ZINC000178043109 822295960 /nfs/dbraw/zinc/29/59/60/822295960.db2.gz TUPWAZKPKQTFRS-OAHLLOKOSA-N 1 0 388.899 4.333 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]Cc1cccnc1-n1cncn1 ZINC000178048363 822298920 /nfs/dbraw/zinc/29/89/20/822298920.db2.gz QIEBMUVGMBDFPA-CYBMUJFWSA-N 1 0 394.479 4.084 20 0 GIADRO CCN(CC)C(=O)CCC1CC[NH+]([C@H](C)C(=O)Nc2cccc(Cl)c2)CC1 ZINC000182555281 822299583 /nfs/dbraw/zinc/29/95/83/822299583.db2.gz HKXFSYWITJZNMG-MRXNPFEDSA-N 1 0 393.959 4.028 20 0 GIADRO CC[C@@H]1CCCCN1C(=O)C[NH2+][C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000182559364 822301688 /nfs/dbraw/zinc/30/16/88/822301688.db2.gz HRORVLKCMXKYSR-PGRDOPGGSA-N 1 0 393.531 4.381 20 0 GIADRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)Nc1ccc(-c2ncco2)cc1 ZINC000182560224 822302207 /nfs/dbraw/zinc/30/22/07/822302207.db2.gz NHHXPJCJIYMZCB-MRXNPFEDSA-N 1 0 396.516 4.437 20 0 GIADRO CCc1ccc(Cl)c(CC)c1NC(=O)CCC[N@@H+]1CC[C@@](C)(C(=O)OC)C1 ZINC000178062091 822305555 /nfs/dbraw/zinc/30/55/55/822305555.db2.gz KDFPULWPZDMZMC-OAQYLSRUSA-N 1 0 394.943 4.069 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCc3cc(Cl)ccc32)c1 ZINC000178085094 822313201 /nfs/dbraw/zinc/31/32/01/822313201.db2.gz NYSKTHFAOXNXPP-FZKQIMNGSA-N 1 0 388.895 4.351 20 0 GIADRO COc1cccc([C@@H](O)C[NH2+][C@@H](C)c2sc(Cc3ccccc3)nc2C)c1 ZINC000178085471 822313665 /nfs/dbraw/zinc/31/36/65/822313665.db2.gz VRYHBKQAANKQFQ-YWZLYKJASA-N 1 0 382.529 4.435 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)Nc1ccc(-c2ncco2)cc1 ZINC000182587536 822313766 /nfs/dbraw/zinc/31/37/66/822313766.db2.gz QKCFZOPYEMEKBT-GOSISDBHSA-N 1 0 380.448 4.283 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)Nc1ccc(-c2ncco2)cc1 ZINC000182588539 822313869 /nfs/dbraw/zinc/31/38/69/822313869.db2.gz OWSLNBMZBBOPKP-UHFFFAOYSA-N 1 0 376.460 4.259 20 0 GIADRO O=C(Nc1ccc(-c2ncco2)cc1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000182589249 822314329 /nfs/dbraw/zinc/31/43/29/822314329.db2.gz SENJRAPVKTUQIT-UHFFFAOYSA-N 1 0 394.450 4.267 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@H]2CCc3cc(F)ccc32)ccc1S(=O)(=O)C(F)F ZINC000178088833 822314625 /nfs/dbraw/zinc/31/46/25/822314625.db2.gz YHVCHEFHOGYZOQ-ZBEGNZNMSA-N 1 0 399.434 4.169 20 0 GIADRO Cc1ccc(NC(=O)C2CC2)cc1N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000182592919 822315210 /nfs/dbraw/zinc/31/52/10/822315210.db2.gz XMCYJYTZTPNFAW-KRWDZBQOSA-N 1 0 381.520 4.457 20 0 GIADRO C[C@@H](NC(=O)N[C@H](c1nccs1)c1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182613398 822322683 /nfs/dbraw/zinc/32/26/83/822322683.db2.gz LYNNMNYNOAWCGL-KPFFTGBYSA-N 1 0 398.576 4.185 20 0 GIADRO COC(=O)c1ccc(C[NH2+]Cc2ccc(C(=O)Nc3ccc(F)cc3)cc2)cc1 ZINC000182618563 822324864 /nfs/dbraw/zinc/32/48/64/822324864.db2.gz MHJYPEVDVZNRDT-UHFFFAOYSA-N 1 0 392.430 4.154 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1cc2ccccc2o1)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000182627240 822328762 /nfs/dbraw/zinc/32/87/62/822328762.db2.gz HIVWMABZZQRYSE-HOTGVXAUSA-N 1 0 391.471 4.237 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1cc2ccccc2o1)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000182629079 822329807 /nfs/dbraw/zinc/32/98/07/822329807.db2.gz VONZYKALJOZLRR-HRCADAONSA-N 1 0 394.471 4.121 20 0 GIADRO COC(=O)[C@@H](C)Oc1ccc(C[NH2+][C@H](C)c2cccc(OC(F)(F)F)c2)cc1 ZINC000182633925 822332232 /nfs/dbraw/zinc/33/22/32/822332232.db2.gz UNBOHXATOOVUJS-ZIAGYGMSSA-N 1 0 397.393 4.376 20 0 GIADRO COc1ccc(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cc1OC1CCCC1 ZINC000182634543 822332372 /nfs/dbraw/zinc/33/23/72/822332372.db2.gz KGDNREZAVCRPTQ-LJQANCHMSA-N 1 0 386.536 4.107 20 0 GIADRO COCCOc1ccc([C@H](C)[NH2+][C@H](C)c2cc(F)ccc2OC)cc1OC ZINC000178150171 822334031 /nfs/dbraw/zinc/33/40/31/822334031.db2.gz PNZUNSYVVUGHJZ-LSDHHAIUSA-N 1 0 377.456 4.280 20 0 GIADRO Cc1ccc(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)c(OC[C@H]2CCCO2)c1 ZINC000178151402 822334511 /nfs/dbraw/zinc/33/45/11/822334511.db2.gz IYIJIVQDGJZXOA-UYAOXDASSA-N 1 0 386.536 4.146 20 0 GIADRO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](CCC(=O)c3ccccc3)C2)cc1 ZINC000182642526 822335635 /nfs/dbraw/zinc/33/56/35/822335635.db2.gz QTLQURSVAPJIDO-IBGZPJMESA-N 1 0 379.504 4.102 20 0 GIADRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)C2[C@@H]3CCC[C@H]23)CC1 ZINC000178157134 822336569 /nfs/dbraw/zinc/33/65/69/822336569.db2.gz SCMRBGHYNPJJQW-DFNIBXOVSA-N 1 0 380.454 4.174 20 0 GIADRO O=C(Nc1cccc(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1)c1ccoc1 ZINC000178173833 822341412 /nfs/dbraw/zinc/34/14/12/822341412.db2.gz WKKDVIDSEQYWAM-MRXNPFEDSA-N 1 0 381.476 4.125 20 0 GIADRO CC(C)c1nc(-c2ccccc2NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)n[nH]1 ZINC000178175277 822342077 /nfs/dbraw/zinc/34/20/77/822342077.db2.gz OXFAAMRWWZEIHE-INIZCTEOSA-N 1 0 381.524 4.188 20 0 GIADRO CCCOc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)cc1 ZINC000178174034 822342131 /nfs/dbraw/zinc/34/21/31/822342131.db2.gz ZIGUZKZDCKQSAE-LSDHHAIUSA-N 1 0 379.497 4.430 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc2ccccc2n1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000178180436 822344434 /nfs/dbraw/zinc/34/44/34/822344434.db2.gz SWJZMXYAZADGID-SJORKVTESA-N 1 0 389.499 4.304 20 0 GIADRO O=C(Nc1cccc(OCc2cscn2)c1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178181282 822344740 /nfs/dbraw/zinc/34/47/40/822344740.db2.gz OICDRUWFJXZORV-INIZCTEOSA-N 1 0 385.533 4.315 20 0 GIADRO C[C@@H]([NH2+]C[C@H](c1ccccc1Cl)N(C)C)c1ccc(N2CCOC2=O)cc1 ZINC000178188013 822346514 /nfs/dbraw/zinc/34/65/14/822346514.db2.gz UBOGOBCIXVBTRI-FOIQADDNSA-N 1 0 387.911 4.250 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]C[C@H](c2ccccc2Cl)N(C)C)cc1NC(C)=O ZINC000178189071 822346986 /nfs/dbraw/zinc/34/69/86/822346986.db2.gz GFUVSSNNXVRHOQ-JLTOFOAXSA-N 1 0 389.927 4.261 20 0 GIADRO CN(C)[C@@H](C[NH2+]C1CCC2(CC1)C(=O)Nc1ccccc12)c1ccccc1Cl ZINC000178189375 822347001 /nfs/dbraw/zinc/34/70/01/822347001.db2.gz WNZBTPRGVJGRFF-JCVMYPOKSA-N 1 0 397.950 4.365 20 0 GIADRO Cc1nc(C)c([C@H](C)[NH2+]Cc2cccc(NC(=O)NCc3ccncc3)c2)s1 ZINC000178208426 822353037 /nfs/dbraw/zinc/35/30/37/822353037.db2.gz NUQCMEJFPGPJON-AWEZNQCLSA-N 1 0 395.532 4.327 20 0 GIADRO Cc1c([C@H](C)[NH2+]Cc2ccc3c(c2)OCCO3)cnn1-c1cccc(Cl)c1 ZINC000178208598 822353120 /nfs/dbraw/zinc/35/31/20/822353120.db2.gz MUYKABXBXUOAGT-AWEZNQCLSA-N 1 0 383.879 4.456 20 0 GIADRO COc1ccc2c(c1)[C@@H]([NH2+]C1CCN(c3ccccc3OC)CC1)CCCO2 ZINC000178228968 822356320 /nfs/dbraw/zinc/35/63/20/822356320.db2.gz NWVVFHCKSRPJLK-FQEVSTJZSA-N 1 0 382.504 4.176 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+]C1CCN(c3ccccc3OC)CC1)CCCO2 ZINC000178228953 822356344 /nfs/dbraw/zinc/35/63/44/822356344.db2.gz NWVVFHCKSRPJLK-HXUWFJFHSA-N 1 0 382.504 4.176 20 0 GIADRO C[C@@H]([NH2+]CCc1ccc2c(c1)CCO2)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000178235467 822357217 /nfs/dbraw/zinc/35/72/17/822357217.db2.gz FYLAJCQMGPCNQY-QGZVFWFLSA-N 1 0 399.556 4.231 20 0 GIADRO CCn1cc(C(=O)N2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c2ccccc21 ZINC000178249213 822358373 /nfs/dbraw/zinc/35/83/73/822358373.db2.gz RYGJKJLJRNNIRF-OALUTQOASA-N 1 0 397.563 4.013 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)C[NH2+]C2[C@@H](C)CCC[C@@H]2C)c(C(F)(F)F)c1 ZINC000182726861 822358375 /nfs/dbraw/zinc/35/83/75/822358375.db2.gz VHAWMYSOOWKNAI-RYUDHWBXSA-N 1 0 385.430 4.017 20 0 GIADRO CCn1cc(C(=O)N2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c2ccccc21 ZINC000178249184 822358426 /nfs/dbraw/zinc/35/84/26/822358426.db2.gz RYGJKJLJRNNIRF-KDURUIRLSA-N 1 0 397.563 4.013 20 0 GIADRO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@H]1CCOC(C)(C)C1 ZINC000453409038 822358841 /nfs/dbraw/zinc/35/88/41/822358841.db2.gz GZXQCMLUTBPTJN-KGLIPLIRSA-N 1 0 388.430 4.097 20 0 GIADRO C[C@@H]1C[NH+](CCC2CCN(C(=O)CCc3cc(Cl)cs3)CC2)C[C@@H](C)O1 ZINC000178255687 822359282 /nfs/dbraw/zinc/35/92/82/822359282.db2.gz VDCCMQFRYITWFH-HZPDHXFCSA-N 1 0 399.000 4.072 20 0 GIADRO CSc1ccc(C)c(C(=O)N2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000178257827 822360068 /nfs/dbraw/zinc/36/00/68/822360068.db2.gz WLCIDEDFSXAQLY-ROUUACIJSA-N 1 0 390.593 4.068 20 0 GIADRO COc1ccccc1CC(=O)N1CCC([NH2+][C@@H]2CC(C)(C)c3ccccc32)CC1 ZINC000178260416 822360259 /nfs/dbraw/zinc/36/02/59/822360259.db2.gz HSLKQZRUVXOTDP-JOCHJYFZSA-N 1 0 392.543 4.241 20 0 GIADRO COc1ccc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cc1OC(F)F ZINC000045085929 822361815 /nfs/dbraw/zinc/36/18/15/822361815.db2.gz RUOQDEMTMXBGBZ-UHFFFAOYSA-N 1 0 376.403 4.145 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H](C)c2ccc(OC)c(F)c2)c1 ZINC000045103210 822363184 /nfs/dbraw/zinc/36/31/84/822363184.db2.gz ORCKRMYRCWEUNK-INIZCTEOSA-N 1 0 387.499 4.237 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)CCc1ccccc1)c1cccc(OCc2ccccn2)c1 ZINC000182766588 822364232 /nfs/dbraw/zinc/36/42/32/822364232.db2.gz MLTGNALZBVNBOI-CVDCTZTESA-N 1 0 376.500 4.305 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)Cc1ccc(F)cc1F ZINC000045132647 822364960 /nfs/dbraw/zinc/36/49/60/822364960.db2.gz RLFXUTMBVZUXSX-UHFFFAOYSA-N 1 0 375.463 4.148 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC=C(c2ccc(O)cc2)CC1 ZINC000045132320 822364975 /nfs/dbraw/zinc/36/49/75/822364975.db2.gz ZXYGRKQRXDGCJS-UHFFFAOYSA-N 1 0 393.531 4.233 20 0 GIADRO CCOCCOCc1cccc(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1C ZINC000178310798 822366092 /nfs/dbraw/zinc/36/60/92/822366092.db2.gz WOFSUDGXMLVXKX-LJQANCHMSA-N 1 0 388.552 4.141 20 0 GIADRO C[C@H](Nc1cccc(C(=O)NC(C)(C)C)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000182781819 822366631 /nfs/dbraw/zinc/36/66/31/822366631.db2.gz CTDDTHLCDQMEIJ-KRWDZBQOSA-N 1 0 383.536 4.328 20 0 GIADRO COc1cc(OC)c(OC)cc1C[NH2+][C@H](C)c1sc(-c2cccnc2)nc1C ZINC000178316853 822366747 /nfs/dbraw/zinc/36/67/47/822366747.db2.gz RVYNKKHIEGORDD-CYBMUJFWSA-N 1 0 399.516 4.390 20 0 GIADRO O=c1ccccn1Cc1ccc(C[NH2+]Cc2cc(Cl)cc3cccnc32)cc1 ZINC000178323040 822367080 /nfs/dbraw/zinc/36/70/80/822367080.db2.gz MTNFHFZGZVBFAJ-UHFFFAOYSA-N 1 0 389.886 4.388 20 0 GIADRO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)CCc1cccs1 ZINC000178333528 822368050 /nfs/dbraw/zinc/36/80/50/822368050.db2.gz PGVQLNUCLZSGTO-IBGZPJMESA-N 1 0 394.544 4.271 20 0 GIADRO Cc1cc([C@@H]2CCCN2C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)on1 ZINC000045186675 822368689 /nfs/dbraw/zinc/36/86/89/822368689.db2.gz MFWHAWLUOMQFBA-FQEVSTJZSA-N 1 0 382.508 4.016 20 0 GIADRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(OC)cc2)cc1 ZINC000178340613 822368949 /nfs/dbraw/zinc/36/89/49/822368949.db2.gz DGHZKIFNAWCVGN-DLBZAZTESA-N 1 0 390.549 4.138 20 0 GIADRO Cc1cc([C@H]2CCCN2C(=O)NCc2ccccc2C[NH+]2CCCCC2)no1 ZINC000045192482 822369421 /nfs/dbraw/zinc/36/94/21/822369421.db2.gz LECDWTXLYOERSZ-OAQYLSRUSA-N 1 0 382.508 4.016 20 0 GIADRO CCN(C(=O)Cc1ccc(N[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1)c1ccccc1 ZINC000182807152 822371033 /nfs/dbraw/zinc/37/10/33/822371033.db2.gz RQXOXOPKJWKYDX-YCRNBWNJSA-N 1 0 379.548 4.423 20 0 GIADRO CCn1c([C@@H]2CC[C@H](C)O2)nnc1N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000453469014 822371255 /nfs/dbraw/zinc/37/12/55/822371255.db2.gz UPKSKMLBLFRNJT-BJLQDIEVSA-N 1 0 389.588 4.019 20 0 GIADRO C[C@@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1ccc(F)c(Br)c1 ZINC000178365410 822371728 /nfs/dbraw/zinc/37/17/28/822371728.db2.gz PNNSPXPJTZLVSJ-SNVBAGLBSA-N 1 0 383.227 4.266 20 0 GIADRO C[C@H]1CCC[N@H+](CCCCNC(=O)N[C@@H]2CCSc3ccc(F)cc32)C1 ZINC000045233776 822371833 /nfs/dbraw/zinc/37/18/33/822371833.db2.gz CAHIYKCDSVIRHA-MAUKXSAKSA-N 1 0 379.545 4.174 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@@H]1CCSc2ccc(F)cc21 ZINC000045234085 822371914 /nfs/dbraw/zinc/37/19/14/822371914.db2.gz CKPXVZGYACBAGL-MAUKXSAKSA-N 1 0 379.545 4.316 20 0 GIADRO CC[NH+](CC)Cc1cc([C@H](C)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)ccc1OC ZINC000182818987 822372631 /nfs/dbraw/zinc/37/26/31/822372631.db2.gz PUGJRVQAABMMRS-HOTGVXAUSA-N 1 0 397.519 4.430 20 0 GIADRO C[C@@H](CC(=O)NCc1ccc(OCc2cccc(F)c2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000178389789 822374307 /nfs/dbraw/zinc/37/43/07/822374307.db2.gz FQEWQAMIMJBEMC-FXAWDEMLSA-N 1 0 384.495 4.047 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)c1cccc(N2CCCS2(=O)=O)c1)c1cc(F)ccc1F ZINC000178405943 822375985 /nfs/dbraw/zinc/37/59/85/822375985.db2.gz QJPAZDOBTWXIQX-XOBRGWDASA-N 1 0 394.487 4.307 20 0 GIADRO CC(C)(C)[NH+]1CCC(NCc2cccc(NC(=O)c3cccc(F)c3)c2)CC1 ZINC000178410482 822376695 /nfs/dbraw/zinc/37/66/95/822376695.db2.gz MZFPVOIUMWRAMW-UHFFFAOYSA-N 1 0 383.511 4.431 20 0 GIADRO C[C@@H](NC(=O)N1CCC(OCc2ccccc2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182845450 822377362 /nfs/dbraw/zinc/37/73/62/822377362.db2.gz XBPPOQKUUVNTAI-TZIWHRDSSA-N 1 0 399.579 4.030 20 0 GIADRO C[C@@H](NC(=O)NC(C)(C)c1ccc(F)c(F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182847663 822377976 /nfs/dbraw/zinc/37/79/76/822377976.db2.gz TURWMVOWFIAKCQ-HUUCEWRRSA-N 1 0 379.495 4.152 20 0 GIADRO O=C1Nc2ccccc2C12CCC([NH2+]CCc1ccc(Br)cc1)CC2 ZINC000178425485 822378037 /nfs/dbraw/zinc/37/80/37/822378037.db2.gz OHHFUBBVGMJGKL-UHFFFAOYSA-N 1 0 399.332 4.414 20 0 GIADRO CC(C)Cn1c(N(C)C2CC[NH+](CCC(F)(F)F)CC2)nnc1C(C)(C)C ZINC000453494381 822378317 /nfs/dbraw/zinc/37/83/17/822378317.db2.gz UDLIDBYTZDIQKA-UHFFFAOYSA-N 1 0 389.510 4.085 20 0 GIADRO O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000178432354 822378484 /nfs/dbraw/zinc/37/84/84/822378484.db2.gz JGDISQFFOQGFOS-APWZRJJASA-N 1 0 397.519 4.209 20 0 GIADRO O=C(Nc1ccc2c3c(cccc31)CC2)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000178434584 822378995 /nfs/dbraw/zinc/37/89/95/822378995.db2.gz QMUASRODZLOXLQ-PGRDOPGGSA-N 1 0 375.516 4.419 20 0 GIADRO COc1cccc([C@@H](CNC(=O)Nc2c(F)cc(Cl)cc2F)[NH+](C)C)c1 ZINC000182857087 822380150 /nfs/dbraw/zinc/38/01/50/822380150.db2.gz YVZXKKJWMLHLRG-MRXNPFEDSA-N 1 0 383.826 4.051 20 0 GIADRO C[C@H]([NH2+]CC1(c2ccc3c(c2)OCCO3)CCCC1)c1ccc([S@](C)=O)cc1 ZINC000178462717 822381481 /nfs/dbraw/zinc/38/14/81/822381481.db2.gz NQQPAMBKWCYZMO-HPGBDJQBSA-N 1 0 399.556 4.358 20 0 GIADRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+][C@H](C)C(=O)N3CCCCC3)s2)cc1 ZINC000178465546 822381967 /nfs/dbraw/zinc/38/19/67/822381967.db2.gz YREYQVDLAZRCSH-GOEBONIOSA-N 1 0 387.549 4.179 20 0 GIADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000178472369 822382613 /nfs/dbraw/zinc/38/26/13/822382613.db2.gz BOJXYXANNSZFGX-LLVKDONJSA-N 1 0 387.789 4.141 20 0 GIADRO Cc1c([C@@H](C)Nc2ccc(N3CCOCC3)cn2)cnn1-c1cccc(Cl)c1 ZINC000182873378 822383560 /nfs/dbraw/zinc/38/35/60/822383560.db2.gz PGCKLRJCDGGLKS-OAHLLOKOSA-N 1 0 397.910 4.239 20 0 GIADRO C[C@@H](NC(=O)c1ccccc1C(=O)c1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182874106 822383828 /nfs/dbraw/zinc/38/38/28/822383828.db2.gz UIUVXCPIIXHVFH-UYAOXDASSA-N 1 0 390.527 4.300 20 0 GIADRO COc1ccc(NC(=O)CC[NH2+][C@H](C)c2cnn(-c3ccc(F)cc3)c2C)cc1 ZINC000182879718 822385031 /nfs/dbraw/zinc/38/50/31/822385031.db2.gz RUGRVAXEJCPUNT-OAHLLOKOSA-N 1 0 396.466 4.008 20 0 GIADRO CC(=O)N1CC[C@H]([NH2+]Cc2sc(C)cc2Br)c2ccccc21 ZINC000453563844 822385219 /nfs/dbraw/zinc/38/52/19/822385219.db2.gz FXKIJGZBHIEHAT-HNNXBMFYSA-N 1 0 379.323 4.407 20 0 GIADRO O=C(NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)Nc1ccc2ccccc2c1 ZINC000182881144 822385234 /nfs/dbraw/zinc/38/52/34/822385234.db2.gz OMHNXDMWELSRLX-HSZRJFAPSA-N 1 0 389.499 4.118 20 0 GIADRO COc1ccc(/C=C(\C)C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)cc1F ZINC000182884693 822385609 /nfs/dbraw/zinc/38/56/09/822385609.db2.gz HANKPKWRZYCSSG-BMRADRMJSA-N 1 0 397.494 4.018 20 0 GIADRO CCC[C@H]([NH2+][C@@H](C)c1ccc2c(c1)CCO2)C(=O)N1CCc2sccc2C1 ZINC000178503262 822385838 /nfs/dbraw/zinc/38/58/38/822385838.db2.gz DCDAIJZIJLLBFX-KXBFYZLASA-N 1 0 384.545 4.087 20 0 GIADRO CCC[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CCO2)C(=O)N1CCc2sccc2C1 ZINC000178503273 822385887 /nfs/dbraw/zinc/38/58/87/822385887.db2.gz DCDAIJZIJLLBFX-HNAYVOBHSA-N 1 0 384.545 4.087 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1cccc(C(=O)N2CCCCC2)c1 ZINC000182891997 822387180 /nfs/dbraw/zinc/38/71/80/822387180.db2.gz VAAQHLFGDLDSQM-CVDCTZTESA-N 1 0 392.547 4.030 20 0 GIADRO C[C@@H]([NH2+]CCCN1CCC(O)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000178520687 822387390 /nfs/dbraw/zinc/38/73/90/822387390.db2.gz HMCDQCMBRVECEE-GFCCVEGCSA-N 1 0 398.391 4.222 20 0 GIADRO C[C@@H](NC(=O)N(C)Cc1cccc(C(F)(F)F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182893391 822387384 /nfs/dbraw/zinc/38/73/84/822387384.db2.gz ABGVURVCSJJKPQ-WBVHZDCISA-N 1 0 397.485 4.500 20 0 GIADRO [NH3+]C[C@H]1CCN(C(=O)c2c3c(nc4ccccc42)/C(=C\c2ccccc2)CC3)C1 ZINC000178523735 822387762 /nfs/dbraw/zinc/38/77/62/822387762.db2.gz DELQFHMPLIWBBO-GXYBQNOFSA-N 1 0 383.495 4.142 20 0 GIADRO CC(C)([NH3+])CC(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000178528071 822388328 /nfs/dbraw/zinc/38/83/28/822388328.db2.gz AWKPKBCNDGBTTF-UHFFFAOYSA-N 1 0 379.382 4.024 20 0 GIADRO CC[C@@H]([NH2+]CCCc1nnc2n1CCCCC2)c1ccc(OC(F)F)cc1 ZINC000178528239 822388351 /nfs/dbraw/zinc/38/83/51/822388351.db2.gz DTMCDHUAPGOJEQ-QGZVFWFLSA-N 1 0 378.467 4.279 20 0 GIADRO [NH3+]C[C@@H](C(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21)c1ccccc1 ZINC000178530780 822388521 /nfs/dbraw/zinc/38/85/21/822388521.db2.gz DEYVZYYGMRNFJZ-QZTJIDSGSA-N 1 0 395.503 4.185 20 0 GIADRO Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000178530286 822388555 /nfs/dbraw/zinc/38/85/55/822388555.db2.gz UMFNUCITTPABCM-DOTOQJQBSA-N 1 0 389.952 4.328 20 0 GIADRO CC1(C)C[C@@H](C[NH2+]Cc2ccc(OC(F)F)c(Br)c2)CCO1 ZINC000453586768 822389074 /nfs/dbraw/zinc/38/90/74/822389074.db2.gz VYNVWZMGSFVWEN-LBPRGKRZSA-N 1 0 378.257 4.345 20 0 GIADRO COc1cc(-c2noc(C[NH+]3CCC(C(C)(C)C)CC3)n2)cc(OC)c1OC ZINC000178536435 822389136 /nfs/dbraw/zinc/38/91/36/822389136.db2.gz CVPNTCVCYIHORB-UHFFFAOYSA-N 1 0 389.496 4.021 20 0 GIADRO C[C@@H](NC(=O)Nc1ccccc1N1CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182902514 822389556 /nfs/dbraw/zinc/38/95/56/822389556.db2.gz BTWAYDTZTWOMQC-RTBURBONSA-N 1 0 384.568 4.451 20 0 GIADRO COCCOCc1ccc(C[NH2+]Cc2sc(C)cc2Br)cc1 ZINC000453591815 822389879 /nfs/dbraw/zinc/38/98/79/822389879.db2.gz HHIOTONHINWOSW-UHFFFAOYSA-N 1 0 384.339 4.272 20 0 GIADRO Cc1cc(Br)c(C[NH2+]CCCC(=O)N2Cc3ccccc3C2)s1 ZINC000453590530 822389981 /nfs/dbraw/zinc/38/99/81/822389981.db2.gz OZZMYLFXHDMJLI-UHFFFAOYSA-N 1 0 393.350 4.231 20 0 GIADRO Cc1nc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)sc1C ZINC000178546776 822390614 /nfs/dbraw/zinc/39/06/14/822390614.db2.gz IEKIJAJTQXEHQE-MOPGFXCFSA-N 1 0 384.549 4.278 20 0 GIADRO COc1cc(C[NH2+]CCc2cnc(C)cn2)ccc1OCc1ccc(Cl)cc1 ZINC000453599415 822391007 /nfs/dbraw/zinc/39/10/07/822391007.db2.gz RCYXZKIONIHAGE-UHFFFAOYSA-N 1 0 397.906 4.358 20 0 GIADRO Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@](O)(c2ccccc2)C(F)(F)F)c1C ZINC000178553622 822391368 /nfs/dbraw/zinc/39/13/68/822391368.db2.gz YPUXFIVNOPTWAG-YWZLYKJASA-N 1 0 394.437 4.060 20 0 GIADRO CON1CCC([N@H+](C)Cc2cccc(NC(=O)c3ccccc3Cl)c2)CC1 ZINC000453600382 822391336 /nfs/dbraw/zinc/39/13/36/822391336.db2.gz DWRBOQCGEVUBHZ-UHFFFAOYSA-N 1 0 387.911 4.050 20 0 GIADRO C[C@H](NC(=O)N1CCC[C@@H]1Cc1cccc(F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182913387 822391609 /nfs/dbraw/zinc/39/16/09/822391609.db2.gz GBZRNUIPNPSWGA-LQBOVUBWSA-N 1 0 387.543 4.195 20 0 GIADRO COc1ccc(CC[NH2+][C@@H]2CCSc3c(F)cccc32)c(OC)c1OC ZINC000178556601 822391833 /nfs/dbraw/zinc/39/18/33/822391833.db2.gz KBFYGHYEWPSMLN-MRXNPFEDSA-N 1 0 377.481 4.221 20 0 GIADRO Cc1nn(C)cc1[C@H](C)[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000178579529 822393510 /nfs/dbraw/zinc/39/35/10/822393510.db2.gz LIHOLOHATUAKNT-AWEZNQCLSA-N 1 0 381.442 4.146 20 0 GIADRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)NCc2ccc(O)cc2)cc1 ZINC000045528303 822393607 /nfs/dbraw/zinc/39/36/07/822393607.db2.gz NKMCDACSFRLVLU-UHFFFAOYSA-N 1 0 389.499 4.120 20 0 GIADRO C[C@@H](NC(=O)N(C)Cc1ccc(OC(F)F)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182927123 822394497 /nfs/dbraw/zinc/39/44/97/822394497.db2.gz LSWLGKOIQRLNCL-NVXWUHKLSA-N 1 0 395.494 4.082 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)Nc2ccc(OC)c(OC)c2)CC1 ZINC000182927825 822394519 /nfs/dbraw/zinc/39/45/19/822394519.db2.gz VDNLDSDZTDVRNH-UHFFFAOYSA-N 1 0 377.529 4.070 20 0 GIADRO COc1ccc([C@@H](CNC(=O)NCc2ccc(Cl)s2)[NH+]2CCCC2)cc1 ZINC000045543572 822394856 /nfs/dbraw/zinc/39/48/56/822394856.db2.gz UZSMHDJWKNRSOF-QGZVFWFLSA-N 1 0 393.940 4.046 20 0 GIADRO C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000178594893 822394915 /nfs/dbraw/zinc/39/49/15/822394915.db2.gz YSSCHPULVBRWHL-PBHICJAKSA-N 1 0 387.911 4.294 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1ccc2ccccc2n1 ZINC000178615348 822396510 /nfs/dbraw/zinc/39/65/10/822396510.db2.gz HVFMHCDWUFERHQ-AOMKIAJQSA-N 1 0 375.472 4.203 20 0 GIADRO CC[C@@H](c1ccccc1)N(CC)C(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000453639216 822396846 /nfs/dbraw/zinc/39/68/46/822396846.db2.gz OGDLZQVBIPNDHC-FCHUYYIVSA-N 1 0 393.531 4.174 20 0 GIADRO CC[C@@H](c1ccccc1)N(CC)C(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000453639218 822396920 /nfs/dbraw/zinc/39/69/20/822396920.db2.gz OGDLZQVBIPNDHC-VXKWHMMOSA-N 1 0 393.531 4.174 20 0 GIADRO Cc1ccc(C)c([C@@H](C)N(C)C(=O)C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)c1 ZINC000453641112 822396994 /nfs/dbraw/zinc/39/69/94/822396994.db2.gz RGSHPFDOMCJWJJ-VGOFRKELSA-N 1 0 393.531 4.010 20 0 GIADRO CC(=O)Nc1ccc(CC[NH2+][C@H](C)c2cc(Br)ccc2F)cc1 ZINC000178629159 822397708 /nfs/dbraw/zinc/39/77/08/822397708.db2.gz BVBSAMMUIBPHFQ-GFCCVEGCSA-N 1 0 379.273 4.440 20 0 GIADRO COc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@H](C)c2cc(C)cc(C)c2)cc1OC ZINC000182947732 822398057 /nfs/dbraw/zinc/39/80/57/822398057.db2.gz DXVMXFIBVGTNRY-NQIIRXRSSA-N 1 0 396.531 4.335 20 0 GIADRO Brc1ccc(-n2cc(C[NH2+][C@H]3CCOC4(CCCC4)C3)cn2)cc1 ZINC000178635438 822398195 /nfs/dbraw/zinc/39/81/95/822398195.db2.gz IXSFNWPNTLJJGT-KRWDZBQOSA-N 1 0 390.325 4.216 20 0 GIADRO CCCOc1ccc([C@@H](C)[NH2+]Cc2cccc(C(=O)NC[C@@H]3CCCO3)c2)cc1 ZINC000178640301 822398696 /nfs/dbraw/zinc/39/86/96/822398696.db2.gz JHPALKWCGUPBPP-JPYJTQIMSA-N 1 0 396.531 4.235 20 0 GIADRO Cc1cc(C)n(-c2ccc(C[NH2+][C@H](C)c3cn(C)nc3C)c(C(F)(F)F)c2)n1 ZINC000178641151 822398872 /nfs/dbraw/zinc/39/88/72/822398872.db2.gz ZZWDTPJXNBGGJT-CQSZACIVSA-N 1 0 391.441 4.401 20 0 GIADRO COCCN1CCC([NH2+][C@@H](C)c2ccc(OCc3ccc(F)cc3)cc2)CC1 ZINC000178657630 822400222 /nfs/dbraw/zinc/40/02/22/822400222.db2.gz OFOOWMZAYPSSMM-SFHVURJKSA-N 1 0 386.511 4.166 20 0 GIADRO CC[C@H](C)N(Cc1ccccc1)C(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000453698231 822401543 /nfs/dbraw/zinc/40/15/43/822401543.db2.gz XMODCPBPEHBYMQ-JTSKRJEESA-N 1 0 393.531 4.001 20 0 GIADRO COc1cc2c(cc1OC)C[N@H+](Cc1ccccc1N[C@H](C)[C@H]1CCOC1)CC2 ZINC000182968994 822401748 /nfs/dbraw/zinc/40/17/48/822401748.db2.gz JDHXOZZCGKKLIJ-XLIONFOSSA-N 1 0 396.531 4.099 20 0 GIADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)C[C@H]2CCCc3ccccc32)CC1 ZINC000178679250 822402309 /nfs/dbraw/zinc/40/23/09/822402309.db2.gz KSEUVYNVHXTPHH-GHTZIAJQSA-N 1 0 377.532 4.233 20 0 GIADRO Cc1nccn1C[C@@H](C)C[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000178696159 822403560 /nfs/dbraw/zinc/40/35/60/822403560.db2.gz XXJOIFHAODVDSQ-SUMWQHHRSA-N 1 0 378.314 4.094 20 0 GIADRO C[C@H](NC(=O)N1CCC([NH+]2CCCCC2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000045679597 822404985 /nfs/dbraw/zinc/40/49/85/822404985.db2.gz KECQBNVRDRNJHF-HNNXBMFYSA-N 1 0 399.457 4.306 20 0 GIADRO Cc1cc([C@@H](C)[NH2+]CC(=O)N[C@@H](c2nccs2)c2ccccc2)c(C)s1 ZINC000182986909 822405586 /nfs/dbraw/zinc/40/55/86/822405586.db2.gz RVGFAPBBSJHSMA-AUUYWEPGSA-N 1 0 385.558 4.378 20 0 GIADRO C[N@H+](CCC(=O)Nc1cccc2ccccc21)Cc1ccc2c(c1)OCCO2 ZINC000045697263 822406053 /nfs/dbraw/zinc/40/60/53/822406053.db2.gz DIORKCQVOGUJBU-UHFFFAOYSA-N 1 0 376.456 4.072 20 0 GIADRO Cc1ccc(C(=O)N2CC[NH+](C3CCOCC3)CC2)c(Sc2ccccc2)c1 ZINC000182989955 822406665 /nfs/dbraw/zinc/40/66/65/822406665.db2.gz YTZABNUYBNORSQ-UHFFFAOYSA-N 1 0 396.556 4.083 20 0 GIADRO CC(=O)c1ccc(NC(=S)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000045711391 822407055 /nfs/dbraw/zinc/40/70/55/822407055.db2.gz RZSZNQSDMMCXTF-UHFFFAOYSA-N 1 0 381.545 4.013 20 0 GIADRO Cc1c([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cc(F)ccc2C)cnn1-c1ccc(F)cc1 ZINC000183002696 822409191 /nfs/dbraw/zinc/40/91/91/822409191.db2.gz BZLNYYCWKGBRDT-CABCVRRESA-N 1 0 398.457 4.445 20 0 GIADRO Cc1c([C@@H](C)[NH2+]CC(=O)Nc2ccc(C)cc2C)cnn1-c1ccc(F)cc1 ZINC000183004738 822409569 /nfs/dbraw/zinc/40/95/69/822409569.db2.gz VNNZJGJISWPUEO-MRXNPFEDSA-N 1 0 380.467 4.226 20 0 GIADRO CS(=O)(=O)c1cccc([C@@H]([NH2+]CC2CCCC2)c2ccc(F)c(F)c2)c1 ZINC000178787310 822409819 /nfs/dbraw/zinc/40/98/19/822409819.db2.gz XRZGDYIMJBRZTD-HXUWFJFHSA-N 1 0 379.472 4.238 20 0 GIADRO CC[C@@H](NC(=O)NC1CC[NH+](Cc2ccccn2)CC1)c1cccc(Cl)c1 ZINC000045755156 822410575 /nfs/dbraw/zinc/41/05/75/822410575.db2.gz NTTJYSICWCRDEX-HXUWFJFHSA-N 1 0 386.927 4.150 20 0 GIADRO O=C(Nc1cc(Cl)cc(Cl)c1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000045756028 822410823 /nfs/dbraw/zinc/41/08/23/822410823.db2.gz INGVRZGIQQXIKI-UHFFFAOYSA-N 1 0 379.291 4.175 20 0 GIADRO C[C@H](NC1CC[NH+](CC2CC2)CC1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000178800686 822411561 /nfs/dbraw/zinc/41/15/61/822411561.db2.gz GSFBJEJNXNQDKQ-LAUBAEHRSA-N 1 0 390.543 4.299 20 0 GIADRO O=C(Nc1ncc(Cc2ccccc2)s1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000178806054 822412238 /nfs/dbraw/zinc/41/22/38/822412238.db2.gz LHAIHSIFPBCKSX-YLJYHZDGSA-N 1 0 396.560 4.215 20 0 GIADRO Cc1c(NC(=O)NC2CC[NH+](CC(C)C)CC2)cnn1-c1cc(C)ccc1C ZINC000178808424 822412594 /nfs/dbraw/zinc/41/25/94/822412594.db2.gz YFSTVZYCECXBKV-UHFFFAOYSA-N 1 0 383.540 4.039 20 0 GIADRO Cc1c(N[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cccc1C(=O)N1CCCC1 ZINC000183023085 822412831 /nfs/dbraw/zinc/41/28/31/822412831.db2.gz DQXRRSCXNZINEW-IBGZPJMESA-N 1 0 395.547 4.345 20 0 GIADRO COc1ccccc1CN(C)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000045780415 822413063 /nfs/dbraw/zinc/41/30/63/822413063.db2.gz PMHNPRNMHZTOFV-IBGZPJMESA-N 1 0 395.547 4.411 20 0 GIADRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC000178818190 822413426 /nfs/dbraw/zinc/41/34/26/822413426.db2.gz OHZXSGBOVUDEGI-UHFFFAOYSA-N 1 0 395.528 4.277 20 0 GIADRO COc1cccc(CN(C)C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000045789464 822413891 /nfs/dbraw/zinc/41/38/91/822413891.db2.gz ODTHETLKVKBVAD-LJQANCHMSA-N 1 0 395.547 4.269 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCC(c2ccc(O)cc2)CC1 ZINC000045789598 822413946 /nfs/dbraw/zinc/41/39/46/822413946.db2.gz VEHJLFQOSPLULA-UHFFFAOYSA-N 1 0 395.547 4.322 20 0 GIADRO CN(Cc1cccc2ccccc21)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000045793801 822414342 /nfs/dbraw/zinc/41/43/42/822414342.db2.gz CXLJSTYQVDIUPL-UHFFFAOYSA-N 1 0 391.515 4.122 20 0 GIADRO C[C@H]([NH3+])C1CCN(C(=O)[C@H](Sc2cc(F)ccc2F)c2ccccc2)CC1 ZINC000178827701 822414502 /nfs/dbraw/zinc/41/45/02/822414502.db2.gz IKJILOFUYNRGOS-VBKZILBWSA-N 1 0 390.499 4.384 20 0 GIADRO O=C(CN1CCC(C[NH+]2CCCCCC2)CC1)Nc1ccc(F)cc1Cl ZINC000045807151 822415259 /nfs/dbraw/zinc/41/52/59/822415259.db2.gz FIBYBEKMUZEQBB-UHFFFAOYSA-N 1 0 381.923 4.006 20 0 GIADRO O=C(NCc1cccc(OCc2ccccc2)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000045810334 822415465 /nfs/dbraw/zinc/41/54/65/822415465.db2.gz NJCRJENTDFCZRA-UHFFFAOYSA-N 1 0 393.531 4.035 20 0 GIADRO CN(Cc1ccc2ccccc2c1)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000045813114 822415669 /nfs/dbraw/zinc/41/56/69/822415669.db2.gz HRQSJCZEQOMOLO-UHFFFAOYSA-N 1 0 391.515 4.122 20 0 GIADRO CSc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1 ZINC000045813171 822415824 /nfs/dbraw/zinc/41/58/24/822415824.db2.gz FIFZCVRZRPOFIQ-CABCVRRESA-N 1 0 397.544 4.435 20 0 GIADRO C[NH+](C)CCOc1cccc(CNC(=O)Nc2ccc(Cl)cc2Cl)c1 ZINC000045814643 822415908 /nfs/dbraw/zinc/41/59/08/822415908.db2.gz UJIOGTXPBKACRB-UHFFFAOYSA-N 1 0 382.291 4.256 20 0 GIADRO C[C@H]([NH3+])C1CCN(C(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)CC1 ZINC000178855972 822416738 /nfs/dbraw/zinc/41/67/38/822416738.db2.gz AAUMJKSCEZJHHU-NSHDSACASA-N 1 0 383.439 4.028 20 0 GIADRO COc1cc(-c2ccccc2)ccc1C[NH2+]Cc1ccc(Cn2cncn2)cc1 ZINC000183044732 822416843 /nfs/dbraw/zinc/41/68/43/822416843.db2.gz HWUFHRJPUBTWRB-UHFFFAOYSA-N 1 0 384.483 4.292 20 0 GIADRO CN(C(=O)c1cccc(C(F)F)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000178877372 822418345 /nfs/dbraw/zinc/41/83/45/822418345.db2.gz DLCSCXKDVJBOEB-PMACEKPBSA-N 1 0 393.522 4.033 20 0 GIADRO CC(C)[C@@H](CNc1ncnc2scc(-c3ccccc3)c21)[NH+]1CCN(C)CC1 ZINC000045851948 822418933 /nfs/dbraw/zinc/41/89/33/822418933.db2.gz MOKISCZYXQAJDV-LJQANCHMSA-N 1 0 395.576 4.042 20 0 GIADRO CCc1ccc([C@@H](CNC(=O)c2cc(C3CC3)nc3onc(C)c32)[NH+](C)C)cc1 ZINC000045871051 822420421 /nfs/dbraw/zinc/42/04/21/822420421.db2.gz HUMQSTIFSJEIOU-HXUWFJFHSA-N 1 0 392.503 4.004 20 0 GIADRO C[C@H](Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1nc2c(s1)CCCC2 ZINC000183074462 822420895 /nfs/dbraw/zinc/42/08/95/822420895.db2.gz IOAFWPBZFUUSQK-INIZCTEOSA-N 1 0 385.577 4.399 20 0 GIADRO COc1ccc([C@H](C)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)c(OC)c1 ZINC000183074944 822421157 /nfs/dbraw/zinc/42/11/57/822421157.db2.gz PJYZVKQDHAQEGM-KRWDZBQOSA-N 1 0 384.520 4.081 20 0 GIADRO COc1cc(-c2ccccc2)ccc1CNC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000183078079 822421545 /nfs/dbraw/zinc/42/15/45/822421545.db2.gz VCOLROSABUQDHO-BJKOFHAPSA-N 1 0 394.559 4.220 20 0 GIADRO COCc1cc([C@@H](C)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)ccc1OC ZINC000183077370 822421632 /nfs/dbraw/zinc/42/16/32/822421632.db2.gz NOOYQDMIHHVNIM-GOSISDBHSA-N 1 0 398.547 4.219 20 0 GIADRO COCc1noc([C@H](C)[NH2+]CC2(c3ccc(Br)cc3)CCCC2)n1 ZINC000183081482 822422255 /nfs/dbraw/zinc/42/22/55/822422255.db2.gz JOEFGDMJLYJRIZ-ZDUSSCGKSA-N 1 0 394.313 4.141 20 0 GIADRO c1c(C[NH2+]CCCc2ccccn2)c(-c2cccnc2)nn1Cc1ccccc1 ZINC000178934097 822422707 /nfs/dbraw/zinc/42/27/07/822422707.db2.gz LWYVYGVROSLLHL-UHFFFAOYSA-N 1 0 383.499 4.111 20 0 GIADRO C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)[C@H]3CCCC(C)(C)C3)cc2)CC1 ZINC000178940168 822423345 /nfs/dbraw/zinc/42/33/45/822423345.db2.gz ZNWQHGJGBDWPJU-INIZCTEOSA-N 1 0 386.540 4.057 20 0 GIADRO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1cccc(N3CCCS3(=O)=O)c1)CCC2 ZINC000178952286 822424154 /nfs/dbraw/zinc/42/41/54/822424154.db2.gz IROSNDKCUALEJB-JTSKRJEESA-N 1 0 384.545 4.263 20 0 GIADRO Cc1cc(N(C)C)cc(C)c1NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000178951743 822424285 /nfs/dbraw/zinc/42/42/85/822424285.db2.gz MJZGVJIXJXWENN-UHFFFAOYSA-N 1 0 380.536 4.287 20 0 GIADRO O=C(C[NH+]1CCCCCC1)Nc1ccc(NC(=O)c2ccccc2Cl)cc1 ZINC000045941523 822425828 /nfs/dbraw/zinc/42/58/28/822425828.db2.gz YZSAKRSKKWOWIN-UHFFFAOYSA-N 1 0 385.895 4.407 20 0 GIADRO Cc1noc(C(C)C)c1C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000045941802 822425966 /nfs/dbraw/zinc/42/59/66/822425966.db2.gz PMGZZIJAFXVLEY-UHFFFAOYSA-N 1 0 398.507 4.173 20 0 GIADRO O=C(CCc1ccsc1)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000045942097 822425985 /nfs/dbraw/zinc/42/59/85/822425985.db2.gz YNHNHJITNAWHKK-UHFFFAOYSA-N 1 0 385.533 4.134 20 0 GIADRO CCOC(=O)N1CCC([NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000045947238 822426167 /nfs/dbraw/zinc/42/61/67/822426167.db2.gz LRKBCFCCGKAXOE-UHFFFAOYSA-N 1 0 385.489 4.267 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Nc1ccc2c(c1)OCO2 ZINC000045947355 822426181 /nfs/dbraw/zinc/42/61/81/822426181.db2.gz LEBYHJUVYCZHEA-MRXNPFEDSA-N 1 0 381.476 4.111 20 0 GIADRO COc1ccc(NC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)cc1OC ZINC000045958090 822426812 /nfs/dbraw/zinc/42/68/12/822426812.db2.gz WSLCOOIYNKVHDZ-KRWDZBQOSA-N 1 0 397.519 4.400 20 0 GIADRO C[NH2+]C[C@H]1CCN(C(=O)c2c3ccccc3nc3c2C[C@H](C(C)(C)C)CC3)C1 ZINC000178989604 822426834 /nfs/dbraw/zinc/42/68/34/822426834.db2.gz AZKRRZMLTVZNTG-IAGOWNOFSA-N 1 0 379.548 4.067 20 0 GIADRO CC(C)(C)OC(=O)Nc1cccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000178990438 822427121 /nfs/dbraw/zinc/42/71/21/822427121.db2.gz PPWWIOMFBRXFAL-YLJYHZDGSA-N 1 0 399.535 4.123 20 0 GIADRO COc1cccc([C@@H]2CCCN2C(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000045977121 822428588 /nfs/dbraw/zinc/42/85/88/822428588.db2.gz VHKNPIWDGQTVRA-QHCPKHFHSA-N 1 0 393.531 4.338 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]CC(=O)N[C@@H](c2ccccc2)C2CC2)cc1 ZINC000183138849 822429483 /nfs/dbraw/zinc/42/94/83/822429483.db2.gz YXECMROFVGEKGO-OSPHWJPCSA-N 1 0 388.515 4.099 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2c(C)cccc2C)cc1 ZINC000183140475 822429743 /nfs/dbraw/zinc/42/97/43/822429743.db2.gz BBAPELHLIQUOQF-QZTJIDSGSA-N 1 0 376.504 4.475 20 0 GIADRO CCOc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(-n3ccnc3C)cc2)cc1 ZINC000183141310 822430083 /nfs/dbraw/zinc/43/00/83/822430083.db2.gz UWBZHZRWKKRQEC-IAGOWNOFSA-N 1 0 392.503 4.257 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cc(C)ccc2C)cc1 ZINC000183142692 822430315 /nfs/dbraw/zinc/43/03/15/822430315.db2.gz GHZZJCLMIOSRGN-ZWKOTPCHSA-N 1 0 376.504 4.475 20 0 GIADRO C[NH2+]C[C@@H]1CCN(C(=O)c2c(Cl)cccc2Oc2ccccc2Cl)C1 ZINC000179019484 822430610 /nfs/dbraw/zinc/43/06/10/822430610.db2.gz YDJXUDYLNOBIOD-ZDUSSCGKSA-N 1 0 379.287 4.467 20 0 GIADRO O=C(Nc1ccccc1)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000454129905 822431931 /nfs/dbraw/zinc/43/19/31/822431931.db2.gz CIJKBRUBINBYOJ-UHFFFAOYSA-N 1 0 398.938 4.159 20 0 GIADRO CC(=O)c1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(-n3ccnc3C)cc2)cc1 ZINC000183152849 822432138 /nfs/dbraw/zinc/43/21/38/822432138.db2.gz ARYPWPNEIUXNAC-JKSUJKDBSA-N 1 0 390.487 4.061 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc3ncccc32)cc1 ZINC000183153017 822432371 /nfs/dbraw/zinc/43/23/71/822432371.db2.gz ALHSHBHMPGMYGH-DLBZAZTESA-N 1 0 399.498 4.407 20 0 GIADRO C[C@@H](NC(=O)C[NH2+][C@@H](C)c1ccccc1-n1cccn1)c1ccc(Cl)cc1 ZINC000183156474 822432865 /nfs/dbraw/zinc/43/28/65/822432865.db2.gz HXRLOVBDIRXAAZ-CVEARBPZSA-N 1 0 382.895 4.054 20 0 GIADRO O=C1C[C@H](C[NH2+]Cc2csc(-c3cccs3)n2)CN1Cc1ccccc1 ZINC000179053900 822433903 /nfs/dbraw/zinc/43/39/03/822433903.db2.gz AOPFOTVZMQSTGK-MRXNPFEDSA-N 1 0 383.542 4.010 20 0 GIADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)c1cc(-c2ccccn2)ccc1Cl ZINC000179058290 822434256 /nfs/dbraw/zinc/43/42/56/822434256.db2.gz RMBKZUQIMHJLSO-UHFFFAOYSA-N 1 0 394.906 4.001 20 0 GIADRO O=C1C[C@@H](C[NH2+]Cc2csc(-c3ccsc3)n2)CN1Cc1ccccc1 ZINC000179057437 822434365 /nfs/dbraw/zinc/43/43/65/822434365.db2.gz FYYWVPAGLUDSFZ-INIZCTEOSA-N 1 0 383.542 4.010 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[C@H](C(F)(F)F)C[C@H]2C)cc1 ZINC000454174729 822435805 /nfs/dbraw/zinc/43/58/05/822435805.db2.gz WWHYGRJMTDDBMW-QAPCUYQASA-N 1 0 385.474 4.401 20 0 GIADRO CCOc1ccc(C(=O)N2CCC([NH2+]Cc3coc4ccccc34)CC2)cc1 ZINC000179079761 822436125 /nfs/dbraw/zinc/43/61/25/822436125.db2.gz NWJFTWSYFJOGSO-UHFFFAOYSA-N 1 0 378.472 4.226 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CCCCNC(=O)OC(C)(C)C ZINC000183177539 822436269 /nfs/dbraw/zinc/43/62/69/822436269.db2.gz IYYJOPKPAQDTJY-AWEZNQCLSA-N 1 0 390.553 4.469 20 0 GIADRO CN(C(=O)Nc1ccc(Cl)cc1F)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000454188189 822437007 /nfs/dbraw/zinc/43/70/07/822437007.db2.gz DXHPQOBMQSFPPX-UHFFFAOYSA-N 1 0 381.801 4.360 20 0 GIADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(Cl)nc2)cc1 ZINC000179096666 822437709 /nfs/dbraw/zinc/43/77/09/822437709.db2.gz SVVXEHBOVVDCCY-GJZGRUSLSA-N 1 0 395.956 4.177 20 0 GIADRO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)c(C)c1 ZINC000183187782 822437870 /nfs/dbraw/zinc/43/78/70/822437870.db2.gz DUOGVDCXDPHIBV-HNNXBMFYSA-N 1 0 394.441 4.183 20 0 GIADRO CC1(C)[C@H](Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)[C@@H]2CCCO[C@@H]21 ZINC000183187335 822437885 /nfs/dbraw/zinc/43/78/85/822437885.db2.gz WJCNGMDSQWFRFD-NNWRFLSQSA-N 1 0 385.552 4.117 20 0 GIADRO Cc1ccc(-c2ccsc2C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)cc1 ZINC000046047308 822438019 /nfs/dbraw/zinc/43/80/19/822438019.db2.gz MHGOUECNXGTUPX-IBGZPJMESA-N 1 0 384.545 4.050 20 0 GIADRO Cc1nc(-c2ccc([C@@H](C)NC(=O)NCCCC[N@H+](C)C3CC3)cc2)cs1 ZINC000454202801 822438414 /nfs/dbraw/zinc/43/84/14/822438414.db2.gz KJSADDGNVPOAAJ-OAHLLOKOSA-N 1 0 386.565 4.353 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[C@@H](C(F)(F)F)C[C@H]1C ZINC000454202111 822438446 /nfs/dbraw/zinc/43/84/46/822438446.db2.gz BVHVYKDUABHISF-CRAIPNDOSA-N 1 0 385.474 4.401 20 0 GIADRO Cc1noc(C)c1C[N@H+](C)C[C@@H](O)CO[C@H](c1ccccc1)c1ccccc1C ZINC000046060690 822438505 /nfs/dbraw/zinc/43/85/05/822438505.db2.gz JTQFUXXLCNWZBB-ZJSXRUAMSA-N 1 0 394.515 4.199 20 0 GIADRO O=C(NC1CC[NH+](C2CC2)CC1)N[C@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC000454206617 822438794 /nfs/dbraw/zinc/43/87/94/822438794.db2.gz GWJJXZDKQOTWRY-APWZRJJASA-N 1 0 375.944 4.292 20 0 GIADRO O=C(NC1CC[NH+](C2CC2)CC1)N[C@@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC000454206620 822438796 /nfs/dbraw/zinc/43/87/96/822438796.db2.gz GWJJXZDKQOTWRY-VQIMIIECSA-N 1 0 375.944 4.292 20 0 GIADRO CCC[C@@H]([NH2+][C@H](C)c1ccc(Cl)nc1)C(=O)N1CCc2sccc2C1 ZINC000179119052 822440090 /nfs/dbraw/zinc/44/00/90/822440090.db2.gz XAUMMLRYQPRTSO-CZUORRHYSA-N 1 0 377.941 4.201 20 0 GIADRO CCC[C@H]([NH2+][C@H](C)c1ccc(Cl)nc1)C(=O)N1CCc2sccc2C1 ZINC000179119044 822440097 /nfs/dbraw/zinc/44/00/97/822440097.db2.gz XAUMMLRYQPRTSO-CJNGLKHVSA-N 1 0 377.941 4.201 20 0 GIADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)C2)C1 ZINC000454220510 822440411 /nfs/dbraw/zinc/44/04/11/822440411.db2.gz XWJADUQYQJRGCM-INIZCTEOSA-N 1 0 375.822 4.308 20 0 GIADRO CCCOc1ccc(NC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1OCCC ZINC000454233976 822441773 /nfs/dbraw/zinc/44/17/73/822441773.db2.gz CJYULJNQASZFSX-QFIPXVFZSA-N 1 0 389.540 4.214 20 0 GIADRO CCN(Cc1ccncc1)C(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000046123684 822442584 /nfs/dbraw/zinc/44/25/84/822442584.db2.gz NIHJPACALQQXBZ-WOJBJXKFSA-N 1 0 394.563 4.291 20 0 GIADRO CC(C)(C)O[C@@H](C(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000179143205 822442762 /nfs/dbraw/zinc/44/27/62/822442762.db2.gz VUJSTCNUGWTUIA-HSZRJFAPSA-N 1 0 394.559 4.366 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2ccc(-c3ncn(C)n3)cc2)cc1 ZINC000183216184 822442935 /nfs/dbraw/zinc/44/29/35/822442935.db2.gz NCQQZBIARRIYJG-QGZVFWFLSA-N 1 0 389.503 4.109 20 0 GIADRO NC(=O)N1CCC([NH2+][C@@H](c2ccccc2)c2cc(Cl)ccc2Cl)CC1 ZINC000183223039 822443800 /nfs/dbraw/zinc/44/38/00/822443800.db2.gz PIQOWUFZKYWEPY-SFHVURJKSA-N 1 0 378.303 4.216 20 0 GIADRO C[C@H](CC(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1)c1ccc(F)cc1F ZINC000179148832 822443907 /nfs/dbraw/zinc/44/39/07/822443907.db2.gz FMCVQCFHSQIZBO-MRXNPFEDSA-N 1 0 387.474 4.239 20 0 GIADRO C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000183224139 822444032 /nfs/dbraw/zinc/44/40/32/822444032.db2.gz IVNJUZZNCSXCGY-XXBNENTESA-N 1 0 392.547 4.086 20 0 GIADRO COc1cccc([C@@H]2[C@@H](NC(=O)c3ccc(F)cc3Cl)CC[N@@H+]2C2CC2)c1 ZINC000183231773 822445150 /nfs/dbraw/zinc/44/51/50/822445150.db2.gz ASKPIIZVJMSEGQ-VQTJNVASSA-N 1 0 388.870 4.196 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3csc(-c4cnn(C)c4)n3)cc2)C1 ZINC000046156244 822445610 /nfs/dbraw/zinc/44/56/10/822445610.db2.gz SWKDQTNGVDYZSK-HNNXBMFYSA-N 1 0 395.532 4.028 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)NC[C@H]3CCCCC3(F)F)c(C)c2)CC1 ZINC000454269665 822447024 /nfs/dbraw/zinc/44/70/24/822447024.db2.gz GLJJEVILDTVWSY-QGZVFWFLSA-N 1 0 394.510 4.084 20 0 GIADRO CC1([C@H]2CCC[N@H+](Cc3cccc(OCc4cccc(C#N)c4)c3)C2)OCCO1 ZINC000183241677 822447152 /nfs/dbraw/zinc/44/71/52/822447152.db2.gz RZJBDOUVIIWCNZ-QFIPXVFZSA-N 1 0 392.499 4.112 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)N(C)CCc3ccccc3C)c(C)c2)CC1 ZINC000454279272 822449623 /nfs/dbraw/zinc/44/96/23/822449623.db2.gz YCXXUQHQWXOFHU-UHFFFAOYSA-N 1 0 394.563 4.152 20 0 GIADRO C[C@@H]([NH2+]CCc1nccn1Cc1ccccc1)c1ncc(Br)s1 ZINC000179200743 822449976 /nfs/dbraw/zinc/44/99/76/822449976.db2.gz WBFAOCSHXWQAOC-CYBMUJFWSA-N 1 0 391.338 4.044 20 0 GIADRO O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)N1CCC[C@@H]1c1ccncc1 ZINC000046226214 822452277 /nfs/dbraw/zinc/45/22/77/822452277.db2.gz FQWDPROTMKDKNC-RTWAWAEBSA-N 1 0 398.938 4.419 20 0 GIADRO Cc1cc(F)ccc1[C@@H]1CCCN1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000454291710 822452492 /nfs/dbraw/zinc/45/24/92/822452492.db2.gz OKQXLXXOEGPZCV-QFIPXVFZSA-N 1 0 396.510 4.040 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@H](C(F)(F)F)C[C@H]2C)c1 ZINC000454297125 822453682 /nfs/dbraw/zinc/45/36/82/822453682.db2.gz NJIXPQHJOZHPOX-QAPCUYQASA-N 1 0 385.474 4.401 20 0 GIADRO COc1ccc(C[C@@H](C)[NH2+][C@H](C)c2ncc(Br)s2)cc1OC ZINC000179227417 822453941 /nfs/dbraw/zinc/45/39/41/822453941.db2.gz UJHXGWYECQQUCM-GHMZBOCLSA-N 1 0 385.327 4.205 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCCN(c2cccc(F)c2)C1)c1ncc(Br)s1 ZINC000179231636 822454544 /nfs/dbraw/zinc/45/45/44/822454544.db2.gz LYXGHBXRQPVNEG-WCQYABFASA-N 1 0 384.318 4.364 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)Nc1ncc(Cc2cccc(F)c2)s1 ZINC000454305361 822455104 /nfs/dbraw/zinc/45/51/04/822455104.db2.gz OWUBBFHUJQHHDT-UHFFFAOYSA-N 1 0 378.517 4.115 20 0 GIADRO COCc1cccc(C[N@@H+]2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)c1 ZINC000179235184 822455397 /nfs/dbraw/zinc/45/53/97/822455397.db2.gz UUJBKPBXDSVWQD-UHFFFAOYSA-N 1 0 387.911 4.226 20 0 GIADRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N[C@@H]2CCO[C@@H](c3cccs3)C2)C1 ZINC000454315654 822457151 /nfs/dbraw/zinc/45/71/51/822457151.db2.gz GXMUSQPMEWAWNY-INDMIFKZSA-N 1 0 393.597 4.026 20 0 GIADRO 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 822458298 /nfs/dbraw/zinc/45/82/98/822458298.db2.gz OGXDZQKBBHFVGX-TWMKSMIVSA-N 1 0 377.495 4.117 20 0 GIADRO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc2cnccc21 ZINC000183322690 822458947 /nfs/dbraw/zinc/45/89/47/822458947.db2.gz QUCFVVUODDKTDD-OAQYLSRUSA-N 1 0 375.472 4.155 20 0 GIADRO O=C1Nc2ccccc2C12CCC([NH2+][C@@H]1CCN(c3ccc(Cl)cc3)C1)CC2 ZINC000183337437 822460707 /nfs/dbraw/zinc/46/07/07/822460707.db2.gz DEVILJBNGIZQPE-FRIYVGAWSA-N 1 0 395.934 4.341 20 0 GIADRO CC(C)[NH+]1CCC(NC(=O)C2(c3cccc(Br)c3)CCCC2)CC1 ZINC000046319722 822461096 /nfs/dbraw/zinc/46/10/96/822461096.db2.gz PYMZVOVXKQSIRO-UHFFFAOYSA-N 1 0 393.369 4.250 20 0 GIADRO O=C(C1CCC(F)(F)CC1)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000179293127 822461855 /nfs/dbraw/zinc/46/18/55/822461855.db2.gz GEQQJQIHWVYCAD-UXHICEINSA-N 1 0 376.491 4.325 20 0 GIADRO Cc1c([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cnn1C ZINC000183356061 822463026 /nfs/dbraw/zinc/46/30/26/822463026.db2.gz YPZZPJAWBOHWHG-ZJUUUORDSA-N 1 0 388.821 4.079 20 0 GIADRO Clc1ccc(Cl)c(-c2csc(C[NH2+][C@@H]3CCc4n[nH]cc4C3)n2)c1 ZINC000179305149 822463570 /nfs/dbraw/zinc/46/35/70/822463570.db2.gz CSHPSKSLFYGICA-GFCCVEGCSA-N 1 0 379.316 4.487 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)cnn1C ZINC000183362340 822463864 /nfs/dbraw/zinc/46/38/64/822463864.db2.gz QBIHYOLTZBAQNK-JKSUJKDBSA-N 1 0 378.476 4.199 20 0 GIADRO Cc1c([C@H](C)[NH2+]CC(=O)Nc2ccc(Oc3cccc(C)c3)cc2)cnn1C ZINC000183363215 822464019 /nfs/dbraw/zinc/46/40/19/822464019.db2.gz FVQXJSVHWCCXPD-INIZCTEOSA-N 1 0 378.476 4.119 20 0 GIADRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C[C@H](c2cccs2)N2CCCC2)CC1 ZINC000183372125 822465273 /nfs/dbraw/zinc/46/52/73/822465273.db2.gz CSBBBMRSDIZXIJ-ZWKOTPCHSA-N 1 0 393.597 4.264 20 0 GIADRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C[C@@H](c2ccco2)N2CCCCC2)CC1 ZINC000183379251 822465931 /nfs/dbraw/zinc/46/59/31/822465931.db2.gz OUSKPOPULBWDPY-OALUTQOASA-N 1 0 391.556 4.186 20 0 GIADRO CC(C)OCc1c2ccccc2oc1C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000046379749 822467540 /nfs/dbraw/zinc/46/75/40/822467540.db2.gz JCSPHOBPPXJOPF-UHFFFAOYSA-N 1 0 380.488 4.349 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)CCCCc2nc3ccccc3s2)c1 ZINC000046379432 822467595 /nfs/dbraw/zinc/46/75/95/822467595.db2.gz ABJDYYGBECKJGL-UHFFFAOYSA-N 1 0 381.545 4.387 20 0 GIADRO c1coc([C@@H]([NH2+]CC2(c3ccc4c(c3)OCO4)CCOCC2)c2ccccc2)c1 ZINC000183406741 822469315 /nfs/dbraw/zinc/46/93/15/822469315.db2.gz YFGPXUSPKFVHMF-QHCPKHFHSA-N 1 0 391.467 4.436 20 0 GIADRO C[N@@H+]1CCCN(c2ccc(NC(=O)c3cc4c(cccc4F)s3)cc2)CC1 ZINC000046403678 822470350 /nfs/dbraw/zinc/47/03/50/822470350.db2.gz QJVNWFLCHZEWIN-UHFFFAOYSA-N 1 0 383.492 4.435 20 0 GIADRO CCCc1ncc(CNC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)o1 ZINC000454406311 822470327 /nfs/dbraw/zinc/47/03/27/822470327.db2.gz HBFBPABFVNMXAA-UHFFFAOYSA-N 1 0 384.524 4.003 20 0 GIADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)Nc3cccc(OCc4ccc(F)cc4)c3)C2)C1 ZINC000454408229 822470654 /nfs/dbraw/zinc/47/06/54/822470654.db2.gz WCJOTUJURZUHNT-HSZRJFAPSA-N 1 0 397.494 4.354 20 0 GIADRO Cc1nc(NC(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)sc1C ZINC000179363107 822471624 /nfs/dbraw/zinc/47/16/24/822471624.db2.gz BHRDTPZJLJRRRB-XJKSGUPXSA-N 1 0 396.919 4.367 20 0 GIADRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000454415620 822471947 /nfs/dbraw/zinc/47/19/47/822471947.db2.gz SYEGRFPDQXMWDG-XLIONFOSSA-N 1 0 399.560 4.490 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(N3CCCCCCC3)c(F)c2)C1 ZINC000183424772 822472881 /nfs/dbraw/zinc/47/28/81/822472881.db2.gz CIPSAPJFCVHOMH-GOSISDBHSA-N 1 0 390.547 4.402 20 0 GIADRO O=C(Nc1ccc(N2CCCCCCC2)c(F)c1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000183425069 822473104 /nfs/dbraw/zinc/47/31/04/822473104.db2.gz LPRNKAPMSCXFFI-IBGZPJMESA-N 1 0 386.515 4.074 20 0 GIADRO CN(C(=O)Nc1ccc2ncsc2c1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000454435960 822475431 /nfs/dbraw/zinc/47/54/31/822475431.db2.gz QQXDSEXJSQTCGI-UHFFFAOYSA-N 1 0 386.443 4.177 20 0 GIADRO Cc1occc1C(=O)NC1CC[NH+](Cc2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000179392049 822476178 /nfs/dbraw/zinc/47/61/78/822476178.db2.gz DMKUYXBDZUAWER-UHFFFAOYSA-N 1 0 382.435 4.382 20 0 GIADRO CCOc1ccccc1C[NH2+][C@@H](C)CC(=O)Nc1cccc(N2CCCC2)c1 ZINC000183457550 822477773 /nfs/dbraw/zinc/47/77/73/822477773.db2.gz KATRQOCSWZGJTA-SFHVURJKSA-N 1 0 381.520 4.192 20 0 GIADRO O=C(NC1CC[NH+](Cc2cc(Cl)cc3cccnc32)CC1)c1ccccc1 ZINC000046503868 822479115 /nfs/dbraw/zinc/47/91/15/822479115.db2.gz OLHOAEKOSMXDIB-UHFFFAOYSA-N 1 0 379.891 4.283 20 0 GIADRO Cc1cc2ncc([C@H](C)[NH2+]CCc3coc(-c4ccc(C)cc4)n3)c(C)n2n1 ZINC000179420374 822479939 /nfs/dbraw/zinc/47/99/39/822479939.db2.gz WJXXHBYMPPNKHW-INIZCTEOSA-N 1 0 375.476 4.203 20 0 GIADRO C[C@@H]([NH2+]C[C@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1)c1nccs1 ZINC000179423300 822480337 /nfs/dbraw/zinc/48/03/37/822480337.db2.gz SWCKWOQCOHPFRS-RHSMWYFYSA-N 1 0 379.957 4.299 20 0 GIADRO Clc1ccc(CN2CCC([NH2+]Cc3cccc4nccn43)CC2)cc1Cl ZINC000179425869 822480742 /nfs/dbraw/zinc/48/07/42/822480742.db2.gz RYLYRZIXGIHLMO-UHFFFAOYSA-N 1 0 389.330 4.395 20 0 GIADRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)Nc1ccccc1COCc1ccccc1 ZINC000454472697 822480746 /nfs/dbraw/zinc/48/07/46/822480746.db2.gz AVTUUIAVQIBSBR-OAQYLSRUSA-N 1 0 381.520 4.351 20 0 GIADRO COc1ccc(OC(C)C)c(NC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000183473880 822480927 /nfs/dbraw/zinc/48/09/27/822480927.db2.gz VRYXUFMDRUWZOI-IAGOWNOFSA-N 1 0 389.540 4.257 20 0 GIADRO CC[C@@H](C)[NH+]1CCN(C(=O)Nc2ccccc2COCc2ccccc2)CC1 ZINC000454476132 822481112 /nfs/dbraw/zinc/48/11/12/822481112.db2.gz IMIOJQOYHKNPSZ-LJQANCHMSA-N 1 0 381.520 4.351 20 0 GIADRO C[C@@H]([NH2+]CCSCCOc1cccc(Br)c1)c1nccs1 ZINC000179428754 822481115 /nfs/dbraw/zinc/48/11/15/822481115.db2.gz XCNAKGKQQRLQDA-GFCCVEGCSA-N 1 0 387.368 4.368 20 0 GIADRO Cc1cc2ncc([C@H](C)[NH2+]C[C@H](O)c3cc(Cl)cc(Cl)c3)c(C)n2n1 ZINC000179432667 822481746 /nfs/dbraw/zinc/48/17/46/822481746.db2.gz IURHYBUKONQJKQ-GTNSWQLSSA-N 1 0 379.291 4.037 20 0 GIADRO Cc1ccc([C@H](C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)N2CCCC2)o1 ZINC000183480132 822482598 /nfs/dbraw/zinc/48/25/98/822482598.db2.gz ZWPHOEXIYNWOKG-MOPGFXCFSA-N 1 0 391.556 4.104 20 0 GIADRO Cn1cnc(-c2ccc(C(=O)Nc3ccc(C[NH+]4CCCCCC4)cc3)cc2)n1 ZINC000183480248 822482599 /nfs/dbraw/zinc/48/25/99/822482599.db2.gz PSEUVJWNYAHDLV-UHFFFAOYSA-N 1 0 389.503 4.110 20 0 GIADRO Cc1nn(C)c(C)c1CCC[NH2+][C@H]1CCc2c1c(Br)ccc2F ZINC000183483637 822483269 /nfs/dbraw/zinc/48/32/69/822483269.db2.gz PMWMENUXWVHBDP-KRWDZBQOSA-N 1 0 380.305 4.148 20 0 GIADRO C[C@H]([NH2+][C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)c1nccs1 ZINC000179448691 822484762 /nfs/dbraw/zinc/48/47/62/822484762.db2.gz XPBIFTXXIRNECU-ONGXEEELSA-N 1 0 376.835 4.140 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1cc2cc(F)ccc2[nH]1)c1cccc(OC)c1 ZINC000046550542 822485055 /nfs/dbraw/zinc/48/50/55/822485055.db2.gz GNZGEAWZEFQRQN-OAQYLSRUSA-N 1 0 383.467 4.129 20 0 GIADRO C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000179455832 822485704 /nfs/dbraw/zinc/48/57/04/822485704.db2.gz FDGDCNVDSSEPLL-CQSZACIVSA-N 1 0 385.414 4.169 20 0 GIADRO COCCOc1ccc([C@H](C)[NH2+]CCc2coc(-c3ccc(F)cc3)n2)cc1 ZINC000179455843 822485723 /nfs/dbraw/zinc/48/57/23/822485723.db2.gz HSPYEAPKROLSBA-INIZCTEOSA-N 1 0 384.451 4.399 20 0 GIADRO COc1cc(F)c([C@@H](C)[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)cc1OC ZINC000183513006 822488421 /nfs/dbraw/zinc/48/84/21/822488421.db2.gz BRMXUDCVLQAJCK-HUUCEWRRSA-N 1 0 396.503 4.283 20 0 GIADRO COCc1cc([C@H](C)[NH2+]C[C@@H](C)c2nc(-c3ccccc3)no2)ccc1OC ZINC000179479080 822488541 /nfs/dbraw/zinc/48/85/41/822488541.db2.gz USVBDTXDWOLOFI-CVEARBPZSA-N 1 0 381.476 4.346 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+]C[C@H](C)c2nc(-c3ccccc3)no2)s1 ZINC000179479858 822488778 /nfs/dbraw/zinc/48/87/78/822488778.db2.gz ATUZPULZINFWPU-KBPBESRZSA-N 1 0 386.521 4.145 20 0 GIADRO COc1ccc2c(c1)[C@@H]([NH2+]C[C@H](C)c1nc(-c3ccccc3)no1)CCCO2 ZINC000179479310 822488787 /nfs/dbraw/zinc/48/87/87/822488787.db2.gz FEKJPVJTWLWGMV-KXBFYZLASA-N 1 0 379.460 4.352 20 0 GIADRO Cc1cccnc1[C@@H](NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1)C(C)C ZINC000454515848 822488950 /nfs/dbraw/zinc/48/89/50/822488950.db2.gz PAAILVVIPNYURI-UGKGYDQZSA-N 1 0 394.563 4.251 20 0 GIADRO COc1ccccc1[C@H](N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)c1ccccn1 ZINC000179483202 822489226 /nfs/dbraw/zinc/48/92/26/822489226.db2.gz FVBUXWXMPGBYJD-VPHKFGTKSA-N 1 0 387.527 4.290 20 0 GIADRO C[C@H]([NH2+]C[C@H]1C[C@H](O)CN1Cc1ccccc1)c1nc(-c2ccccc2)cs1 ZINC000179485936 822489804 /nfs/dbraw/zinc/48/98/04/822489804.db2.gz SIRROCFETQFCOW-WMQCIHAUSA-N 1 0 393.556 4.096 20 0 GIADRO COC(=O)COc1ccccc1[C@@H](C)[NH2+]Cc1ccc(Oc2ccccc2)nc1 ZINC000183532040 822490940 /nfs/dbraw/zinc/49/09/40/822490940.db2.gz LTQXVGIMRSEIFK-QGZVFWFLSA-N 1 0 392.455 4.277 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@H]2CSc3ccccc32)CC1 ZINC000454522830 822490955 /nfs/dbraw/zinc/49/09/55/822490955.db2.gz RCBQNNVKPSWMPP-HKUYNNGSSA-N 1 0 395.572 4.401 20 0 GIADRO C[C@H]([NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(Br)cc1 ZINC000179497438 822491396 /nfs/dbraw/zinc/49/13/96/822491396.db2.gz BGPHSXVUWZUWHH-RDJZCZTQSA-N 1 0 387.321 4.148 20 0 GIADRO O=C1Nc2ccccc2C12CCC([NH2+]CC1(c3ccc(F)cc3F)CC1)CC2 ZINC000179497768 822491402 /nfs/dbraw/zinc/49/14/02/822491402.db2.gz SXQMRWXAVURDCJ-UHFFFAOYSA-N 1 0 382.454 4.419 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(COc3ccccc3)cc2)[C@H](C)C1 ZINC000179497616 822491458 /nfs/dbraw/zinc/49/14/58/822491458.db2.gz WQTMNNFIHZEWGO-XMSQKQJNSA-N 1 0 381.520 4.460 20 0 GIADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]CC1(c2ccc(F)cc2F)CC1 ZINC000179497854 822491625 /nfs/dbraw/zinc/49/16/25/822491625.db2.gz HNUPCRIQUBZGGY-GFCCVEGCSA-N 1 0 379.838 4.052 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1cccc(-n2ccnc2)c1 ZINC000183537523 822491708 /nfs/dbraw/zinc/49/17/08/822491708.db2.gz GMWAQJKCFWEMCE-IEBWSBKVSA-N 1 0 384.524 4.313 20 0 GIADRO C/C(=C\c1cccc(Cl)c1)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000179499733 822491821 /nfs/dbraw/zinc/49/18/21/822491821.db2.gz IGKKAQCJSRFPRS-ZQHZRZASSA-N 1 0 383.923 4.480 20 0 GIADRO COc1ccccc1OC[C@@H](C)C[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000179512269 822493905 /nfs/dbraw/zinc/49/39/05/822493905.db2.gz QQZNZAHFKKWLLR-IRXDYDNUSA-N 1 0 384.476 4.018 20 0 GIADRO COc1ccccc1OC[C@H](C)C[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000179513316 822494079 /nfs/dbraw/zinc/49/40/79/822494079.db2.gz IZDPXYGAHZMJMG-IAGOWNOFSA-N 1 0 384.476 4.018 20 0 GIADRO COc1ccccc1OC[C@H](C)C[NH2+][C@@H](C)c1ncc(Br)s1 ZINC000179512826 822494114 /nfs/dbraw/zinc/49/41/14/822494114.db2.gz AWRBUGZUFNSIPO-NEPJUHHUSA-N 1 0 385.327 4.280 20 0 GIADRO Cc1ccc(OC(F)F)c([C@@H](C)[NH2+][C@@H](C)Cn2ncc3ccccc3c2=O)c1 ZINC000179513717 822494183 /nfs/dbraw/zinc/49/41/83/822494183.db2.gz KXHFDBIVNAJMMR-LSDHHAIUSA-N 1 0 387.430 4.046 20 0 GIADRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C[C@@H](O)c2cc3ccccc3s2)CC1 ZINC000183556816 822494330 /nfs/dbraw/zinc/49/43/30/822494330.db2.gz QVCGZFPGSNJKAU-IAGOWNOFSA-N 1 0 390.549 4.314 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)Cn1ncc2ccccc2c1=O)c1ccc(Cl)cc1Cl ZINC000179515877 822494865 /nfs/dbraw/zinc/49/48/65/822494865.db2.gz LWPWJGPRHWFKIO-QWHCGFSZSA-N 1 0 376.287 4.443 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1noc(-c2ccccc2)n1 ZINC000183562807 822495030 /nfs/dbraw/zinc/49/50/30/822495030.db2.gz CCIRVRYTHQFHBL-NVXWUHKLSA-N 1 0 386.496 4.177 20 0 GIADRO C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000179517463 822495315 /nfs/dbraw/zinc/49/53/15/822495315.db2.gz RMSHUXPYEQCNLJ-KBPBESRZSA-N 1 0 391.393 4.034 20 0 GIADRO CCn1nc(C)c(NC(=O)NCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)c1C ZINC000179530690 822497972 /nfs/dbraw/zinc/49/79/72/822497972.db2.gz OYUOVROGFHTMSD-IRXDYDNUSA-N 1 0 397.567 4.319 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccccc1Cl)c1cccc(-n2cccn2)c1 ZINC000183602868 822499906 /nfs/dbraw/zinc/49/99/06/822499906.db2.gz KQORGZPLEBNOIW-CVEARBPZSA-N 1 0 382.895 4.054 20 0 GIADRO Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@@H](C)c1ccccc1O ZINC000183604035 822500157 /nfs/dbraw/zinc/50/01/57/822500157.db2.gz NWNPZNNUVXPVLX-ZDUSSCGKSA-N 1 0 377.282 4.143 20 0 GIADRO Cc1c2ccccc2oc1[C@@H](C)[NH2+][C@H](C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000183614809 822501435 /nfs/dbraw/zinc/50/14/35/822501435.db2.gz HPSDZRIRDYSJHR-GPMSIDNRSA-N 1 0 378.472 4.420 20 0 GIADRO CCC[C@H]1C[C@@H](C(=O)Nc2ccc(C[NH+]3CCSCC3)cc2C)CCO1 ZINC000183616391 822501639 /nfs/dbraw/zinc/50/16/39/822501639.db2.gz ZBBYUJOLCCKWOT-OALUTQOASA-N 1 0 376.566 4.078 20 0 GIADRO Cc1nc(Cc2ccccc2)sc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000046672298 822502088 /nfs/dbraw/zinc/50/20/88/822502088.db2.gz BLQRBNARETTZPN-FQEVSTJZSA-N 1 0 391.540 4.047 20 0 GIADRO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CC1(c2ccc(F)cc2Cl)CC1 ZINC000179554163 822502571 /nfs/dbraw/zinc/50/25/71/822502571.db2.gz ZYOGFHYFJCWSTP-IERDGZPVSA-N 1 0 387.930 4.406 20 0 GIADRO COc1ccc(OC)c(NC(=O)[C@H](C)[NH2+][C@@H](C)c2oc3ccccc3c2C)c1 ZINC000183624735 822502746 /nfs/dbraw/zinc/50/27/46/822502746.db2.gz DDNQXRUIQQYDNV-GJZGRUSLSA-N 1 0 382.460 4.436 20 0 GIADRO O=C1CCCN1C[C@H]([NH2+]Cc1ccc(Cl)c2cccnc12)c1ccccc1 ZINC000179556346 822503045 /nfs/dbraw/zinc/50/30/45/822503045.db2.gz JTWYBTMNTSYXTA-FQEVSTJZSA-N 1 0 379.891 4.342 20 0 GIADRO COc1ccc(Cl)c(NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000454609435 822505619 /nfs/dbraw/zinc/50/56/19/822505619.db2.gz MKIQONLGMWSVPT-UHFFFAOYSA-N 1 0 393.837 4.229 20 0 GIADRO CC[C@H](NC(=O)N1CCC[N@H+](Cc2ccccc2)CC1)c1ccccc1OC ZINC000046688833 822505727 /nfs/dbraw/zinc/50/57/27/822505727.db2.gz SUVMCIQXKNLVDJ-NRFANRHFSA-N 1 0 381.520 4.064 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]C[C@H](O)COCc2ccccc2Cl)cc1 ZINC000183674313 822509453 /nfs/dbraw/zinc/50/94/53/822509453.db2.gz YIXABKJHKBSKEN-IERDGZPVSA-N 1 0 399.922 4.062 20 0 GIADRO CCN(Cc1cccc(F)c1)C(=O)C[NH2+][C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000183676427 822509844 /nfs/dbraw/zinc/50/98/44/822509844.db2.gz IYDPASDSUUMAQJ-KRWDZBQOSA-N 1 0 394.494 4.019 20 0 GIADRO Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000046723511 822509930 /nfs/dbraw/zinc/50/99/30/822509930.db2.gz FOBRKZWJEKJBBM-UHFFFAOYSA-N 1 0 381.501 4.311 20 0 GIADRO C[C@@H]([NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000179598829 822510075 /nfs/dbraw/zinc/51/00/75/822510075.db2.gz DGESTDRHNVIPFF-FAEJEUNOSA-N 1 0 388.508 4.194 20 0 GIADRO CC[NH+](CC)CCOc1ccc(NC(=O)N(C)C[C@H](C)c2nccs2)cc1 ZINC000183678743 822510097 /nfs/dbraw/zinc/51/00/97/822510097.db2.gz ICKIOOBWIRKCPW-INIZCTEOSA-N 1 0 390.553 4.131 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000454635477 822510243 /nfs/dbraw/zinc/51/02/43/822510243.db2.gz VAPINVYJCPUGHM-UHFFFAOYSA-N 1 0 382.508 4.181 20 0 GIADRO CC(C)Oc1ccc(C(=O)NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)cc1 ZINC000046736851 822511348 /nfs/dbraw/zinc/51/13/48/822511348.db2.gz PLSWFIVSSYCHHY-RTBURBONSA-N 1 0 396.531 4.013 20 0 GIADRO CCN(C(=O)NCCCC[NH+]1CCC(C)CC1)[C@@H](C)c1cccc(OC)c1 ZINC000046737184 822511442 /nfs/dbraw/zinc/51/14/42/822511442.db2.gz XGDOHBZTJKYUJP-IBGZPJMESA-N 1 0 375.557 4.300 20 0 GIADRO Cc1nn(-c2ccccc2)cc1NC(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000183689201 822511915 /nfs/dbraw/zinc/51/19/15/822511915.db2.gz VZJUEGMTRSXPEH-QZTJIDSGSA-N 1 0 383.540 4.060 20 0 GIADRO CC(C)c1noc(-c2ccc(NC(=O)NCCCCC[NH+]3CCCC3)cc2)n1 ZINC000454653119 822512367 /nfs/dbraw/zinc/51/23/67/822512367.db2.gz ADOKWLQKYKTTHN-UHFFFAOYSA-N 1 0 385.512 4.248 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(Cl)s1)c1ccc(OC(F)F)cc1 ZINC000179614798 822513298 /nfs/dbraw/zinc/51/32/98/822513298.db2.gz QSWJULLBLQTMHX-LLVKDONJSA-N 1 0 388.867 4.312 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)COc1ccc2ccccc2c1 ZINC000046755901 822513747 /nfs/dbraw/zinc/51/37/47/822513747.db2.gz AYTOERFZIHWMQL-UHFFFAOYSA-N 1 0 376.500 4.375 20 0 GIADRO Cc1ccc([C@H](CNC(=O)Nc2cn(-c3ccccc3)nc2C)[NH+]2CCCC2)o1 ZINC000183701732 822513821 /nfs/dbraw/zinc/51/38/21/822513821.db2.gz JWGWFAHKUPSPAT-FQEVSTJZSA-N 1 0 393.491 4.041 20 0 GIADRO CC[C@@H](C)[NH+]1CCN(C(=O)Nc2cccc(C(=O)Nc3ccccc3)c2C)CC1 ZINC000454664779 822514285 /nfs/dbraw/zinc/51/42/85/822514285.db2.gz ZCPZXQKKUSEAPZ-QGZVFWFLSA-N 1 0 394.519 4.195 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N(Cc2ccco2)Cc2ccco2)C1 ZINC000046763053 822514532 /nfs/dbraw/zinc/51/45/32/822514532.db2.gz PQVJRXRUCGFYCX-KDURUIRLSA-N 1 0 387.524 4.343 20 0 GIADRO Cc1oc(-c2cccs2)nc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000046765497 822514825 /nfs/dbraw/zinc/51/48/25/822514825.db2.gz RDTFGMWAFFEKBL-AWEZNQCLSA-N 1 0 387.530 4.340 20 0 GIADRO COc1cc(C)c([C@H](C)[NH2+]CCCc2nc(-c3ccccc3)no2)cc1OC ZINC000179628265 822515652 /nfs/dbraw/zinc/51/56/52/822515652.db2.gz COKHSRIRYXYMNQ-INIZCTEOSA-N 1 0 381.476 4.346 20 0 GIADRO O=C(c1ccccc1)N1CCC(C[NH2+]CC2CCC(C(F)(F)F)CC2)CC1 ZINC000183716035 822515794 /nfs/dbraw/zinc/51/57/94/822515794.db2.gz UDCLNCORAWYIDN-UHFFFAOYSA-N 1 0 382.470 4.497 20 0 GIADRO COc1cc(C)c([C@H](C)[NH2+]C[C@H](O)c2ccccc2Br)cc1OC ZINC000179629390 822515802 /nfs/dbraw/zinc/51/58/02/822515802.db2.gz JUVYPQPIGUGHPQ-GUYCJALGSA-N 1 0 394.309 4.159 20 0 GIADRO CCOc1c(Br)cc(C[N@H+](C)[C@H](C)c2cccnc2)cc1OC ZINC000183717059 822516006 /nfs/dbraw/zinc/51/60/06/822516006.db2.gz OMSNCZYBPIYDAD-CYBMUJFWSA-N 1 0 379.298 4.444 20 0 GIADRO CN1CCC[C@H](C[NH2+]Cc2cncc(Br)c2)[C@@H]1c1cccs1 ZINC000183719195 822516437 /nfs/dbraw/zinc/51/64/37/822516437.db2.gz JGVOWNQYJMRUBJ-RHSMWYFYSA-N 1 0 380.355 4.078 20 0 GIADRO COc1cc(C)c([C@H](C)[NH2+]C[C@H](O)CO[C@@H]2CCCc3ccccc32)cc1OC ZINC000179635538 822516990 /nfs/dbraw/zinc/51/69/90/822516990.db2.gz BAKHORMDEIJPJU-LQBOVUBWSA-N 1 0 399.531 4.118 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(-c3ccc4c(c3)CCO4)c2)C1 ZINC000179637882 822517671 /nfs/dbraw/zinc/51/76/71/822517671.db2.gz JZFAMUPHBUCYEX-SFHVURJKSA-N 1 0 393.531 4.484 20 0 GIADRO O=C(Nc1ccccc1)[C@@H]1CCC[N@H+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000179639583 822517855 /nfs/dbraw/zinc/51/78/55/822517855.db2.gz DKPYPDJJAVWAJF-MRXNPFEDSA-N 1 0 380.517 4.124 20 0 GIADRO Cc1nn(-c2ccccc2)cc1NC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000183732226 822518095 /nfs/dbraw/zinc/51/80/95/822518095.db2.gz AHVXZLMIHHTYCK-QFIPXVFZSA-N 1 0 389.503 4.139 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(N2CCOC2=O)cc1)c1cccc(OC(F)(F)F)c1 ZINC000183734205 822518690 /nfs/dbraw/zinc/51/86/90/822518690.db2.gz MHMIKHJJYYKXLO-CYBMUJFWSA-N 1 0 380.366 4.393 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NCc1cncc(Br)c1 ZINC000183738153 822519498 /nfs/dbraw/zinc/51/94/98/822519498.db2.gz VQTFGTINSLCRIC-UHFFFAOYSA-N 1 0 378.314 4.177 20 0 GIADRO COc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@H](C)c2cccc(C)c2C)cc1OC ZINC000183739580 822519896 /nfs/dbraw/zinc/51/98/96/822519896.db2.gz QMLWXKCGVIBCNK-WIYYLYMNSA-N 1 0 396.531 4.335 20 0 GIADRO CC[C@@H]1C[C@@H](C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)CCO1 ZINC000183740437 822520151 /nfs/dbraw/zinc/52/01/51/822520151.db2.gz MPMPKFWEYZPVBR-XZOQPEGZSA-N 1 0 386.580 4.043 20 0 GIADRO CCN(CC(=O)Nc1c(C)cccc1Cl)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000183748686 822521794 /nfs/dbraw/zinc/52/17/94/822521794.db2.gz TVLGNNLHNBHINS-LJQANCHMSA-N 1 0 385.939 4.183 20 0 GIADRO Cc1cc(C[C@@H](C)[NH2+]Cc2cncc(Br)c2)n(-c2ccccc2)n1 ZINC000183749739 822522017 /nfs/dbraw/zinc/52/20/17/822522017.db2.gz WKMTYGSYMRPOCC-CQSZACIVSA-N 1 0 385.309 4.059 20 0 GIADRO CC[C@@H]1CCCC[C@H]1OCC(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000183757783 822523243 /nfs/dbraw/zinc/52/32/43/822523243.db2.gz YXIAMNLHJIJIFD-XMSQKQJNSA-N 1 0 387.568 4.141 20 0 GIADRO Cc1noc(C)c1CSc1ccccc1C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000046857519 822524987 /nfs/dbraw/zinc/52/49/87/822524987.db2.gz FFIVPXCGTUUEEB-OAHLLOKOSA-N 1 0 387.549 4.188 20 0 GIADRO COc1ccc2oc(CNc3ccc(C)c(NC(=O)CC[NH+](C)C)c3)cc2c1 ZINC000183779100 822527373 /nfs/dbraw/zinc/52/73/73/822527373.db2.gz OFBZWUVPBCARHV-UHFFFAOYSA-N 1 0 381.476 4.252 20 0 GIADRO Cc1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2cccc(OCc3ccccn3)c2)cc1 ZINC000179688346 822527870 /nfs/dbraw/zinc/52/78/70/822527870.db2.gz HCHPQLVWWKQHPY-SIKLNZKXSA-N 1 0 392.499 4.060 20 0 GIADRO CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)NC(C)(C)CCC[NH+](C)C)c1 ZINC000454757323 822528766 /nfs/dbraw/zinc/52/87/66/822528766.db2.gz WAVWVDCYRCTIPM-UHFFFAOYSA-N 1 0 396.963 4.062 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)c1c(F)cccc1F)c1cccc(OCc2ccccn2)c1 ZINC000179694767 822529101 /nfs/dbraw/zinc/52/91/01/822529101.db2.gz JJASTHIJDZIKOP-YCRPNKLZSA-N 1 0 384.426 4.323 20 0 GIADRO C[C@H](NC(=O)NC[C@H]1CCCCC1(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000454760677 822529400 /nfs/dbraw/zinc/52/94/00/822529400.db2.gz DBIUZNQEQGWHGU-YTQUADARSA-N 1 0 379.495 4.022 20 0 GIADRO COc1cc(NCC[NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)cc(OC)c1 ZINC000183806709 822530287 /nfs/dbraw/zinc/53/02/87/822530287.db2.gz YKPKSTSYXYTPPT-QFIPXVFZSA-N 1 0 381.451 4.029 20 0 GIADRO Cc1ccsc1CNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000046918613 822530635 /nfs/dbraw/zinc/53/06/35/822530635.db2.gz GFCJWSZITIMBMG-UHFFFAOYSA-N 1 0 377.941 4.174 20 0 GIADRO C[C@H](NC(=O)N1CC[C@H](C(F)(F)F)C[C@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000454777953 822532175 /nfs/dbraw/zinc/53/21/75/822532175.db2.gz VEJCZFUGIBWNNP-NEPXVJNWSA-N 1 0 397.485 4.269 20 0 GIADRO COCCOc1ccccc1C[NH2+]Cc1cc2cc(Br)ccc2[nH]1 ZINC000183823227 822532295 /nfs/dbraw/zinc/53/22/95/822532295.db2.gz IKNLMYDSNJVXLW-UHFFFAOYSA-N 1 0 389.293 4.245 20 0 GIADRO CC(=O)N/C(=C/c1ccccc1)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000046934330 822532567 /nfs/dbraw/zinc/53/25/67/822532567.db2.gz NKCCFLQKHHIIHM-MMTNMYCKSA-N 1 0 391.515 4.034 20 0 GIADRO CC(=O)N/C(=C\c1ccccc1)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000046934331 822532621 /nfs/dbraw/zinc/53/26/21/822532621.db2.gz NKCCFLQKHHIIHM-OYADDEIPSA-N 1 0 391.515 4.034 20 0 GIADRO O=c1[nH]c2ccccc2cc1C[NH2+]Cc1cc2cc(Br)ccc2[nH]1 ZINC000183825954 822532877 /nfs/dbraw/zinc/53/28/77/822532877.db2.gz CYMBMKFEFUGDKV-UHFFFAOYSA-N 1 0 382.261 4.474 20 0 GIADRO Brc1ccc2[nH]c(C[NH2+]Cc3cncc(Br)c3)cc2c1 ZINC000183825463 822532885 /nfs/dbraw/zinc/53/28/85/822532885.db2.gz OVFPCPAYCPBVHQ-UHFFFAOYSA-N 1 0 395.098 4.378 20 0 GIADRO CC[C@H]([NH2+]CC(=O)Nc1cccc(C(C)=O)c1)c1ccccc1OC(F)F ZINC000179718696 822534577 /nfs/dbraw/zinc/53/45/77/822534577.db2.gz LEMLGHHSLBHDLW-KRWDZBQOSA-N 1 0 376.403 4.170 20 0 GIADRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1cccnc1Cl)c1ccccc1OC(F)F ZINC000179723732 822535539 /nfs/dbraw/zinc/53/55/39/822535539.db2.gz IMOJSLWDJURISO-YPMHNXCESA-N 1 0 383.826 4.404 20 0 GIADRO COCc1c(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)sc2cccc(F)c21 ZINC000046991391 822536302 /nfs/dbraw/zinc/53/63/02/822536302.db2.gz JVLDUEFPGNFTTF-OAHLLOKOSA-N 1 0 392.540 4.429 20 0 GIADRO O=C(C[NH2+][C@@H](CCCO)c1ccccc1)Nc1ccccc1SC(F)F ZINC000179729720 822536807 /nfs/dbraw/zinc/53/68/07/822536807.db2.gz QAABSDHAFWBQRU-HNNXBMFYSA-N 1 0 380.460 4.043 20 0 GIADRO CCOc1c(Cl)cc(C[N@@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1OC ZINC000179737318 822539120 /nfs/dbraw/zinc/53/91/20/822539120.db2.gz RAZNKTBDRZSWPF-AWEZNQCLSA-N 1 0 398.931 4.094 20 0 GIADRO c1coc(COCc2cccc(NC3CC[NH+](Cc4cccnc4)CC3)c2)c1 ZINC000179737478 822539177 /nfs/dbraw/zinc/53/91/77/822539177.db2.gz UCJFWDSCYRHITI-UHFFFAOYSA-N 1 0 377.488 4.468 20 0 GIADRO Cc1cccc(-c2ccc(C[NH2+][C@@H](C)c3ccc(S(N)(=O)=O)cc3)cc2)c1 ZINC000183875397 822539169 /nfs/dbraw/zinc/53/91/69/822539169.db2.gz JHHKGVHFPJMZLU-KRWDZBQOSA-N 1 0 380.513 4.160 20 0 GIADRO Cc1nc(C[N@@H+]2CCC[C@H](C3(C)OCCO3)C2)oc1-c1ccc(Cl)cc1 ZINC000183877428 822539433 /nfs/dbraw/zinc/53/94/33/822539433.db2.gz CDTNWZVGJDBYDD-INIZCTEOSA-N 1 0 376.884 4.278 20 0 GIADRO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(CSC(F)F)o2)C1 ZINC000179741300 822540632 /nfs/dbraw/zinc/54/06/32/822540632.db2.gz AISYPLOOZZLINN-LBPRGKRZSA-N 1 0 376.469 4.082 20 0 GIADRO COC(=O)COc1ccccc1[C@@H](C)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000183886308 822540636 /nfs/dbraw/zinc/54/06/36/822540636.db2.gz NHQNDKZKBFZTFC-GOSISDBHSA-N 1 0 382.504 4.397 20 0 GIADRO C[C@@H](c1ccccc1Cl)N(C)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179742313 822540839 /nfs/dbraw/zinc/54/08/39/822540839.db2.gz GAAIZTDRVLDHCH-INIZCTEOSA-N 1 0 386.927 4.354 20 0 GIADRO CC(C)c1cccc(C(C)C)c1NC(=O)C[N@@H+]1CCC[C@@H](C2(C)OCCO2)C1 ZINC000183897069 822542200 /nfs/dbraw/zinc/54/22/00/822542200.db2.gz KEJCRZQTWKEKEO-GOSISDBHSA-N 1 0 388.552 4.347 20 0 GIADRO CCCn1ccc2ccc(NC(=O)N(C)C3C[C@H]4CC[C@@H](C3)[N@H+]4CCOC)cc21 ZINC000454832242 822542499 /nfs/dbraw/zinc/54/24/99/822542499.db2.gz SBNRZTPUVZACQZ-WCRBZPEASA-N 1 0 398.551 4.157 20 0 GIADRO Cc1ccc(C)c(NC(=O)[C@@H](C)[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)c1 ZINC000179750765 822542601 /nfs/dbraw/zinc/54/26/01/822542601.db2.gz UAJAFSRKDGVJGM-OPAMFIHVSA-N 1 0 380.488 4.143 20 0 GIADRO C[C@H]([NH2+]C1(c2ccc(F)cc2F)CCC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000179753039 822543191 /nfs/dbraw/zinc/54/31/91/822543191.db2.gz DOPIQWQLQWYBTH-ZDUSSCGKSA-N 1 0 380.460 4.066 20 0 GIADRO COc1ccc([C@@H](C)C[NH+]2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)cc1 ZINC000179756702 822544286 /nfs/dbraw/zinc/54/42/86/822544286.db2.gz UFPBJIZEARWXRR-HNNXBMFYSA-N 1 0 387.911 4.198 20 0 GIADRO NC(=O)C1CC[NH+](Cc2cccc(N[C@H]3CCSc4c(F)cccc43)c2)CC1 ZINC000179761980 822545806 /nfs/dbraw/zinc/54/58/06/822545806.db2.gz UIQNDGUYAFKJLY-FQEVSTJZSA-N 1 0 399.535 4.172 20 0 GIADRO C[C@H](Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)c1ccc(F)cc1Cl ZINC000179768379 822548786 /nfs/dbraw/zinc/54/87/86/822548786.db2.gz ALJAYKSNGKOYLH-AWEZNQCLSA-N 1 0 389.902 4.350 20 0 GIADRO C[C@@H]1CC[C@@H](Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)c2ccccc21 ZINC000179769957 822549254 /nfs/dbraw/zinc/54/92/54/822549254.db2.gz YKFSUZIEFRWGNM-UZUQRXQVSA-N 1 0 377.532 4.434 20 0 GIADRO CC(C)[C@H](Cc1ccc(F)cc1)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000179771975 822549421 /nfs/dbraw/zinc/54/94/21/822549421.db2.gz JRSMJLUFQYVJJV-QHCPKHFHSA-N 1 0 397.538 4.202 20 0 GIADRO CC1(C)CN(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)[C@H]2CCC[C@H]21 ZINC000454876874 822549993 /nfs/dbraw/zinc/54/99/93/822549993.db2.gz UGFKGLCAUBYICH-BACDZXNISA-N 1 0 387.490 4.012 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1cccc2c1N=S=N2)c1ccc(NC(=O)C2CC2)cc1 ZINC000179775374 822550234 /nfs/dbraw/zinc/55/02/34/822550234.db2.gz NXWGWUOZBPYJDU-LBPRGKRZSA-N 1 0 395.488 4.051 20 0 GIADRO COC(=O)c1cc2cc(C[NH2+][C@H](C)c3ccc(NC(=O)C4CC4)cc3)ccc2o1 ZINC000179774937 822550262 /nfs/dbraw/zinc/55/02/62/822550262.db2.gz GTWDFTWEZSCINS-CQSZACIVSA-N 1 0 392.455 4.419 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)c1ccc(C)nc1C1CC1)[NH+]1CCCCC1 ZINC000454882974 822550628 /nfs/dbraw/zinc/55/06/28/822550628.db2.gz LGBHTMJURMLOMV-OAQYLSRUSA-N 1 0 393.531 4.233 20 0 GIADRO Cc1ccc2c(c1)OCCC[C@@H]2Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000179776126 822550650 /nfs/dbraw/zinc/55/06/50/822550650.db2.gz CBNKKNABPRGSLQ-QFIPXVFZSA-N 1 0 393.531 4.018 20 0 GIADRO O=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)NC1CC[NH+](C2CCC2)CC1 ZINC000454885174 822550694 /nfs/dbraw/zinc/55/06/94/822550694.db2.gz FAQWGNTYVIIGGB-MAUKXSAKSA-N 1 0 382.335 4.165 20 0 GIADRO CCc1cccc(C)c1NC(=O)C[NH2+][C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000179780466 822551565 /nfs/dbraw/zinc/55/15/65/822551565.db2.gz YTXRNZZWHOQZPA-MRXNPFEDSA-N 1 0 379.504 4.195 20 0 GIADRO CCn1c(C[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)nc2c1cccc2F ZINC000179782057 822551952 /nfs/dbraw/zinc/55/19/52/822551952.db2.gz NYXFFKKKFSYGSG-CQSZACIVSA-N 1 0 380.467 4.395 20 0 GIADRO COc1ccc(CC(=O)Nc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)cc1OC ZINC000047190863 822552738 /nfs/dbraw/zinc/55/27/38/822552738.db2.gz JPFKQOBSEXRIEC-KRWDZBQOSA-N 1 0 382.504 4.259 20 0 GIADRO C[N@H+](CCCCNC(=O)N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1)C1CC1 ZINC000454901091 822553391 /nfs/dbraw/zinc/55/33/91/822553391.db2.gz NLWXUCYXKOINSJ-JCNLHEQBSA-N 1 0 383.458 4.125 20 0 GIADRO COc1ccccc1C1(C[NH2+][C@H]2CCN(Cc3ccccn3)C[C@@H]2C)CCC1 ZINC000183958121 822553847 /nfs/dbraw/zinc/55/38/47/822553847.db2.gz DJOPEGZLQJMQNQ-UGKGYDQZSA-N 1 0 379.548 4.012 20 0 GIADRO Cc1nn(Cc2ccccc2)c(C)c1C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000047214300 822554970 /nfs/dbraw/zinc/55/49/70/822554970.db2.gz KFJZIKFJQMSAKW-RTBURBONSA-N 1 0 396.579 4.036 20 0 GIADRO Cc1nc(COc2ccc(C[NH+]3CCC(OCc4ccccc4)CC3)cc2)no1 ZINC000179801232 822555623 /nfs/dbraw/zinc/55/56/23/822555623.db2.gz FPMRKSJCSKOZLD-UHFFFAOYSA-N 1 0 393.487 4.138 20 0 GIADRO COc1cc(C[N@H+]2CC=C(c3ccc(O)cc3)CC2)ccc1OC(=O)C1CC1 ZINC000179803767 822556259 /nfs/dbraw/zinc/55/62/59/822556259.db2.gz KJSUXTGTFRRKQR-UHFFFAOYSA-N 1 0 379.456 4.006 20 0 GIADRO CC(C)[C@@H]([NH2+]CCc1cc(Cl)c2c(c1)OCCCO2)c1nc(C2CC2)no1 ZINC000179810018 822557276 /nfs/dbraw/zinc/55/72/76/822557276.db2.gz BEKZYRITLQAQKC-QGZVFWFLSA-N 1 0 391.899 4.291 20 0 GIADRO CNC(=O)C1CC[NH+](Cc2ccc(-c3ccc(Br)cc3)s2)CC1 ZINC000179821994 822559813 /nfs/dbraw/zinc/55/98/13/822559813.db2.gz UDWJINJVZBXTAR-UHFFFAOYSA-N 1 0 393.350 4.136 20 0 GIADRO Cc1csc2nc(C[NH2+][C@@H](C)C(c3ccccc3)c3ccccc3)cc(=O)n12 ZINC000184001134 822561379 /nfs/dbraw/zinc/56/13/79/822561379.db2.gz CHIMYHWKNRYQPU-KRWDZBQOSA-N 1 0 389.524 4.375 20 0 GIADRO Cc1nc(COc2ccc(NC3CC[NH+]([C@@H]4CCC[C@@H](C)C4)CC3)cc2)no1 ZINC000179832305 822562292 /nfs/dbraw/zinc/56/22/92/822562292.db2.gz RKFKQXLVBFSNCK-OXQOHEQNSA-N 1 0 384.524 4.412 20 0 GIADRO COc1cccc(-c2nn(C(C)(C)C)cc2CN2CCC([NH2+]C(C)C)CC2)c1 ZINC000179832940 822562455 /nfs/dbraw/zinc/56/24/55/822562455.db2.gz BJEMZWRKIVNXBZ-UHFFFAOYSA-N 1 0 384.568 4.276 20 0 GIADRO COc1cccc([C@H]2CCCN2C(=O)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000047304377 822563670 /nfs/dbraw/zinc/56/36/70/822563670.db2.gz UOJOJMNZFRRAOA-HSZRJFAPSA-N 1 0 378.516 4.271 20 0 GIADRO Cc1ccc(N[C@@H](C)c2cccc(OCC[NH+](C)C)c2)cc1C(=O)NC(C)C ZINC000179839885 822564119 /nfs/dbraw/zinc/56/41/19/822564119.db2.gz HEWWAXIYAHACEX-SFHVURJKSA-N 1 0 383.536 4.247 20 0 GIADRO CC[C@H](C(=O)NC1CC[NH+](Cc2ccccc2C)CC1)c1ccc(OC)cc1 ZINC000179844701 822565125 /nfs/dbraw/zinc/56/51/25/822565125.db2.gz GRTAGFVSCRDUOR-QHCPKHFHSA-N 1 0 380.532 4.278 20 0 GIADRO CC1(CC(F)(F)F)CN(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)C1 ZINC000454983243 822565965 /nfs/dbraw/zinc/56/59/65/822565965.db2.gz GBPYFIQMLRERTF-UHFFFAOYSA-N 1 0 399.457 4.358 20 0 GIADRO C[C@H](CC(=O)NC1CC[NH+](Cc2ccccn2)CC1)Cc1ccc(Cl)cc1 ZINC000179851458 822566224 /nfs/dbraw/zinc/56/62/24/822566224.db2.gz AEYDYXYIQVZQDV-KRWDZBQOSA-N 1 0 385.939 4.085 20 0 GIADRO CCC(CC)n1nc(C(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1C ZINC000179855529 822567076 /nfs/dbraw/zinc/56/70/76/822567076.db2.gz PTEXUDKOKQLURA-UHFFFAOYSA-N 1 0 397.567 4.326 20 0 GIADRO O=C(NCC[C@H](c1ccccc1)C(F)(F)F)NC1CC[NH+](C2CCC2)CC1 ZINC000455001169 822568280 /nfs/dbraw/zinc/56/82/80/822568280.db2.gz NYIFOHFBAWPZTC-GOSISDBHSA-N 1 0 383.458 4.039 20 0 GIADRO CCCCn1ccnc1-c1cccc(NC(=O)NC2CC[NH+](C3CCC3)CC2)c1 ZINC000455006460 822569230 /nfs/dbraw/zinc/56/92/30/822569230.db2.gz XMHJSOHGAANRAR-UHFFFAOYSA-N 1 0 395.551 4.489 20 0 GIADRO CCN(CCc1ccccc1)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000047373100 822571916 /nfs/dbraw/zinc/57/19/16/822571916.db2.gz DWQYBWBDQQLJBM-UHFFFAOYSA-N 1 0 394.563 4.233 20 0 GIADRO C[C@@H](Nc1ccc(N2CCSCC2)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000179898922 822573381 /nfs/dbraw/zinc/57/33/81/822573381.db2.gz BSJWOCJWWRAQGC-GOSISDBHSA-N 1 0 385.577 4.353 20 0 GIADRO C[NH+]1CCN(c2ccccc2NC(=O)N(Cc2ccc(Cl)cc2)C2CC2)CC1 ZINC000047392974 822574129 /nfs/dbraw/zinc/57/41/29/822574129.db2.gz NZSPEQLDPMUVBH-UHFFFAOYSA-N 1 0 398.938 4.288 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)c2cnc(-c3ccncc3)s2)CC1 ZINC000184071836 822574260 /nfs/dbraw/zinc/57/42/60/822574260.db2.gz ZBYMHCBZTYJCRA-UHFFFAOYSA-N 1 0 386.565 4.179 20 0 GIADRO Cc1ccc([C@H](CNC(=O)NCc2ccc(C(F)F)cc2)[NH+]2CCCC2)o1 ZINC000184075600 822574674 /nfs/dbraw/zinc/57/46/74/822574674.db2.gz CASRBUKQAVRKOQ-KRWDZBQOSA-N 1 0 377.435 4.162 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)CC1 ZINC000184081811 822575126 /nfs/dbraw/zinc/57/51/26/822575126.db2.gz LQRYHFVFYNGGKZ-ROUUACIJSA-N 1 0 378.507 4.429 20 0 GIADRO CC(C)n1ncc2cc(C(=O)Nc3ccc(C[NH+]4CCC(C)CC4)cc3)cnc21 ZINC000047402049 822575528 /nfs/dbraw/zinc/57/55/28/822575528.db2.gz UHURMMCYLZWHJN-UHFFFAOYSA-N 1 0 391.519 4.496 20 0 GIADRO O=C(C[N@H+](C[C@H]1CCOC1)C1CC1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000047405817 822575725 /nfs/dbraw/zinc/57/57/25/822575725.db2.gz ZVVKLMMLDHSVHL-SNVBAGLBSA-N 1 0 377.699 4.086 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+]CCCc2nc(-c3ccc(F)cc3)no2)c1 ZINC000184092589 822576770 /nfs/dbraw/zinc/57/67/70/822576770.db2.gz PDUBBIIDEXTLFS-AWEZNQCLSA-N 1 0 382.439 4.118 20 0 GIADRO C[C@H]([NH2+]CCCc1nc(-c2ccc(F)cc2)no1)c1nc2ccccc2n1C ZINC000184097016 822577351 /nfs/dbraw/zinc/57/73/51/822577351.db2.gz FZSPQWFBFXIPOO-AWEZNQCLSA-N 1 0 379.439 4.046 20 0 GIADRO CC(=O)N1CCc2cc(C(=O)Nc3ccc(C[NH+]4CCC(C)CC4)cc3)ccc21 ZINC000047427576 822578461 /nfs/dbraw/zinc/57/84/61/822578461.db2.gz WECGEMUIPTWUQW-UHFFFAOYSA-N 1 0 391.515 4.080 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)Cc2csc(C(C)(C)C)n2)CC1 ZINC000184104851 822578751 /nfs/dbraw/zinc/57/87/51/822578751.db2.gz RFLLHRYCFUJAFJ-UHFFFAOYSA-N 1 0 379.614 4.344 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)c2cc3cnn(C(C)C)c3nc2C)CC1 ZINC000184105879 822578959 /nfs/dbraw/zinc/57/89/59/822578959.db2.gz MFHJIOQVPNIXIY-UHFFFAOYSA-N 1 0 399.583 4.295 20 0 GIADRO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000179931654 822579276 /nfs/dbraw/zinc/57/92/76/822579276.db2.gz KGGRBCNPBPXIMZ-KRWDZBQOSA-N 1 0 377.960 4.069 20 0 GIADRO CCO[C@@H]1CCN(C(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)C[C@@H]1C ZINC000455048936 822580048 /nfs/dbraw/zinc/58/00/48/822580048.db2.gz BAFIOTPXLNYJTP-SIKLNZKXSA-N 1 0 387.568 4.240 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1ncccc1C(F)(F)F ZINC000179938462 822581005 /nfs/dbraw/zinc/58/10/05/822581005.db2.gz DCJCAYZFNQXUFX-UHFFFAOYSA-N 1 0 381.398 4.073 20 0 GIADRO C[N@H+](Cc1cn(-c2ccccc2)nc1-c1ccccc1)Cc1cccc(C(N)=O)c1 ZINC000047461632 822581451 /nfs/dbraw/zinc/58/14/51/822581451.db2.gz QOJHPYVDKIYYSH-UHFFFAOYSA-N 1 0 396.494 4.270 20 0 GIADRO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+](C)Cc1cccc(C(N)=O)c1 ZINC000047461695 822581486 /nfs/dbraw/zinc/58/14/86/822581486.db2.gz RWXMNOMSIMAJPM-QGZVFWFLSA-N 1 0 387.483 4.231 20 0 GIADRO O=C(NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000455056205 822581994 /nfs/dbraw/zinc/58/19/94/822581994.db2.gz LGADOZQRMHLOJE-NZUILWFCSA-N 1 0 382.335 4.023 20 0 GIADRO CC1CC[NH+](CCc2cccc(NC(=O)NCc3cnc(C4CC4)o3)c2)CC1 ZINC000455060937 822582605 /nfs/dbraw/zinc/58/26/05/822582605.db2.gz PHTDXKJQANYVKK-UHFFFAOYSA-N 1 0 382.508 4.148 20 0 GIADRO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(Br)s2)cc1 ZINC000179948901 822583831 /nfs/dbraw/zinc/58/38/31/822583831.db2.gz QRFCYWRVVNUMNA-NSHDSACASA-N 1 0 388.352 4.155 20 0 GIADRO CCn1cc([C@@H](C)NC(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)cn1 ZINC000455068396 822583983 /nfs/dbraw/zinc/58/39/83/822583983.db2.gz ZZJWQHPLVVIXHB-GOSISDBHSA-N 1 0 383.540 4.060 20 0 GIADRO O=C(CC1(CSc2ccccc2)CC1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000184136582 822584155 /nfs/dbraw/zinc/58/41/55/822584155.db2.gz BMFCVWSTQCLZNM-UHFFFAOYSA-N 1 0 395.572 4.125 20 0 GIADRO CCc1ccc([C@H](CNC(=O)Nc2c(C)nn(CC)c2C)[NH+](CC)CC)cc1 ZINC000455070443 822584427 /nfs/dbraw/zinc/58/44/27/822584427.db2.gz UBHGCQKPZNQYCW-FQEVSTJZSA-N 1 0 385.556 4.287 20 0 GIADRO CCCCOc1ccc(OC)cc1NC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000047500741 822584581 /nfs/dbraw/zinc/58/45/81/822584581.db2.gz PLSBZDAKPHPVFG-UHFFFAOYSA-N 1 0 389.540 4.356 20 0 GIADRO CC(C)[N@@H+](Cc1ccc(NC(=O)N2CC[C@H](F)C2)cc1)C[C@@H]1CCCCO1 ZINC000455073342 822585049 /nfs/dbraw/zinc/58/50/49/822585049.db2.gz HJEDPNFHHCRTJG-ICSRJNTNSA-N 1 0 377.504 4.042 20 0 GIADRO Cc1ccc(OC2CCN(C(=O)Nc3cccc(C[NH+](C)C)c3)CC2)cc1C ZINC000047505540 822585152 /nfs/dbraw/zinc/58/51/52/822585152.db2.gz LQFHIOMVVVPLKY-UHFFFAOYSA-N 1 0 381.520 4.440 20 0 GIADRO O=C(Nc1ccccc1N1CCc2ccccc21)N1CCC([NH+]2CCCC2)CC1 ZINC000047507450 822585329 /nfs/dbraw/zinc/58/53/29/822585329.db2.gz HWFYUGFHILITHL-UHFFFAOYSA-N 1 0 390.531 4.473 20 0 GIADRO CC(C)(C)OC(=O)NC1CCC([NH2+]C[C@H](c2cccs2)N2CCCC2)CC1 ZINC000179961028 822586019 /nfs/dbraw/zinc/58/60/19/822586019.db2.gz UFWOPXXWNFXVIU-DAWZGUTISA-N 1 0 393.597 4.311 20 0 GIADRO Cn1cc([C@@H](NC[C@H](c2cccs2)[NH+]2CCCC2)c2cccc(F)c2)cn1 ZINC000179961106 822586061 /nfs/dbraw/zinc/58/60/61/822586061.db2.gz NXRHUXKCWDLPTQ-CTNGQTDRSA-N 1 0 384.524 4.137 20 0 GIADRO Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@H](C)c1ccc(Oc2ccccc2)c(F)c1 ZINC000179964333 822586726 /nfs/dbraw/zinc/58/67/26/822586726.db2.gz WZLZFCKFINJNQU-CYBMUJFWSA-N 1 0 382.439 4.247 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CCCNC(=O)c2ccsc2)cc1 ZINC000047522626 822586885 /nfs/dbraw/zinc/58/68/85/822586885.db2.gz YDHSTOISYJSQFQ-QGZVFWFLSA-N 1 0 399.560 4.271 20 0 GIADRO Cc1cc(C)nc(SCC(=O)Nc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)n1 ZINC000047522222 822586913 /nfs/dbraw/zinc/58/69/13/822586913.db2.gz GKRWHCFZLTUAPG-KRWDZBQOSA-N 1 0 384.549 4.199 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(-n2cc[nH]c2=S)cc1)c1ccccc1 ZINC000047536931 822588267 /nfs/dbraw/zinc/58/82/67/822588267.db2.gz ZHXIZOYXMYGQBQ-FQEVSTJZSA-N 1 0 394.544 4.348 20 0 GIADRO CC(C)C[C@@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1cccc(C(F)(F)F)c1 ZINC000179977117 822589112 /nfs/dbraw/zinc/58/91/12/822589112.db2.gz GJADUBBMFCFBRA-ZWKOTPCHSA-N 1 0 387.442 4.304 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(N2CCCC2=O)cc1)c1nc2ccc(Cl)cc2n1C ZINC000179983619 822590586 /nfs/dbraw/zinc/59/05/86/822590586.db2.gz RJXVNFXUMLRNFG-AWEZNQCLSA-N 1 0 382.895 4.204 20 0 GIADRO c1ccc(CCC[C@H]([NH2+]C[C@@H]2COC3(CCOCC3)O2)c2ccccc2)cc1 ZINC000179985715 822590912 /nfs/dbraw/zinc/59/09/12/822590912.db2.gz DUDPXOFBCOMQGG-PKTZIBPZSA-N 1 0 381.516 4.262 20 0 GIADRO C[C@@H]([NH2+]Cc1ccccc1Cn1cccn1)c1nc2ccc(Cl)cc2n1C ZINC000179985855 822590991 /nfs/dbraw/zinc/59/09/91/822590991.db2.gz IGBZKILMKSWFBG-OAHLLOKOSA-N 1 0 379.895 4.322 20 0 GIADRO C[C@@H]1CN(C(=O)Nc2ccc(Cl)c(OC(F)F)c2)CC[N@@H+](C2CCC2)C1 ZINC000455115609 822591107 /nfs/dbraw/zinc/59/11/07/822591107.db2.gz VSBPIVOWBZLFOY-LBPRGKRZSA-N 1 0 387.858 4.280 20 0 GIADRO Cc1ccc(NC(=S)NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)c(C)c1 ZINC000047567404 822591416 /nfs/dbraw/zinc/59/14/16/822591416.db2.gz UHYSPULTCTZFLV-OALUTQOASA-N 1 0 397.588 4.399 20 0 GIADRO Cc1cccc(NC(=S)NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000047567413 822591438 /nfs/dbraw/zinc/59/14/38/822591438.db2.gz AOCYVLLOGLBGFL-HDICACEKSA-N 1 0 383.561 4.091 20 0 GIADRO CC(C)COC[C@H](N[C@H](C)C(=O)Nc1cc(Cl)ccc1F)c1ccco1 ZINC000184180412 822591782 /nfs/dbraw/zinc/59/17/82/822591782.db2.gz SCLPJMUOXPCKIM-DYVFJYSZSA-N 1 0 382.863 4.403 20 0 GIADRO Nc1ccc(F)c(NC(=O)CC[NH2+]C2(c3cccc(C(F)(F)F)c3)CCC2)c1 ZINC000179997410 822593013 /nfs/dbraw/zinc/59/30/13/822593013.db2.gz XOQVTMTUMRDYTB-UHFFFAOYSA-N 1 0 395.400 4.424 20 0 GIADRO CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3ccccc3OC(F)F)ccc2NC1=O ZINC000180010081 822595504 /nfs/dbraw/zinc/59/55/04/822595504.db2.gz KQDGNUPTRGBFAP-LRDDRELGSA-N 1 0 376.403 4.248 20 0 GIADRO CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3ccccc3OC(F)F)ccc2NC1=O ZINC000180010066 822595563 /nfs/dbraw/zinc/59/55/63/822595563.db2.gz KQDGNUPTRGBFAP-BLLLJJGKSA-N 1 0 376.403 4.248 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1cccc(COCc2ccco2)c1)c1ccsc1 ZINC000047603454 822595896 /nfs/dbraw/zinc/59/58/96/822595896.db2.gz HQKKFNFBKQYHAA-HXUWFJFHSA-N 1 0 399.516 4.482 20 0 GIADRO C[C@@H]([NH2+]C[C@@H]1COC2(CCCCCC2)O1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000180010957 822595998 /nfs/dbraw/zinc/59/59/98/822595998.db2.gz PAOOCEHSMVZQQI-OXQOHEQNSA-N 1 0 387.524 4.087 20 0 GIADRO CCOc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(OCC)c(OC)c1 ZINC000047609036 822596313 /nfs/dbraw/zinc/59/63/13/822596313.db2.gz PVNKCUWBEXAFFT-HOTGVXAUSA-N 1 0 386.492 4.170 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)cc1OC ZINC000047609936 822596762 /nfs/dbraw/zinc/59/67/62/822596762.db2.gz REFISPKOUJXYBE-CYBMUJFWSA-N 1 0 377.868 4.369 20 0 GIADRO CC[NH+](CC)Cc1ccc(CN[C@@H](c2cnn(C)c2)c2cccc(F)c2)cc1 ZINC000180022439 822598563 /nfs/dbraw/zinc/59/85/63/822598563.db2.gz SEYRWLPVMRIGTA-HSZRJFAPSA-N 1 0 380.511 4.280 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)C[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]2C[C@@H]2C)cc1 ZINC000180024046 822599243 /nfs/dbraw/zinc/59/92/43/822599243.db2.gz BNPUDCJSLLWAQH-DRWCTHJISA-N 1 0 385.895 4.224 20 0 GIADRO CN1CC[NH+](CCC(C)(C)NC(=O)Nc2cccc(Oc3ccccc3)c2)CC1 ZINC000184231562 822600252 /nfs/dbraw/zinc/60/02/52/822600252.db2.gz LQTMNNGIJGSILX-UHFFFAOYSA-N 1 0 396.535 4.017 20 0 GIADRO Cc1nccn1-c1ccc(C[NH2+][C@@H]2CCc3c2cccc3Br)cn1 ZINC000180033731 822601645 /nfs/dbraw/zinc/60/16/45/822601645.db2.gz CMQCUSCPHNZCJF-GOSISDBHSA-N 1 0 383.293 4.115 20 0 GIADRO O=C1CCCN1Cc1ccc(C[NH2+][C@H]2CCc3c2cccc3Br)cc1 ZINC000180036891 822602044 /nfs/dbraw/zinc/60/20/44/822602044.db2.gz BSDZAZCTLIBKTE-FQEVSTJZSA-N 1 0 399.332 4.349 20 0 GIADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)Nc1ccc(OC(F)F)c(F)c1 ZINC000047713959 822602375 /nfs/dbraw/zinc/60/23/75/822602375.db2.gz HGKAGDQAFZMAIR-AWEZNQCLSA-N 1 0 399.438 4.447 20 0 GIADRO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H](C)c1ccc2c(c1)NC(=O)CO2)CC3 ZINC000180043954 822603290 /nfs/dbraw/zinc/60/32/90/822603290.db2.gz VELFTTXSPCTNHE-GDBMZVCRSA-N 1 0 375.472 4.015 20 0 GIADRO Cc1ccc(OCCCC(=O)Nc2ccc(C[NH2+]Cc3ccccn3)cc2)cc1 ZINC000047718706 822603717 /nfs/dbraw/zinc/60/37/17/822603717.db2.gz JQCDCOVUDGRJDP-UHFFFAOYSA-N 1 0 389.499 4.478 20 0 GIADRO COc1cc2c(cc1C[NH2+][C@@H](C)c1ccc(NC(=O)NC(C)C)cc1)O[C@@H](C)C2 ZINC000047723800 822604188 /nfs/dbraw/zinc/60/41/88/822604188.db2.gz FVSMKXBGGBHINX-HOTGVXAUSA-N 1 0 397.519 4.399 20 0 GIADRO Cc1ccc([C@@H]([NH2+]Cc2ccc(S(=O)(=O)N(C)C(C)C)cc2)C2CC2)cc1 ZINC000180049688 822604394 /nfs/dbraw/zinc/60/43/94/822604394.db2.gz BIYOGYTWSMXHBB-JOCHJYFZSA-N 1 0 386.561 4.265 20 0 GIADRO C[C@@H](NCc1ccc(-n2ccnc2)c(F)c1)c1nc2ccc(Cl)cc2n1C ZINC000180049861 822604465 /nfs/dbraw/zinc/60/44/65/822604465.db2.gz PJXNJNZWQUNZAA-CYBMUJFWSA-N 1 0 383.858 4.402 20 0 GIADRO Cc1ccc(NC(=O)N(CC[NH+](C)C)Cc2cccc(C(F)(F)F)c2)nc1 ZINC000184258233 822604490 /nfs/dbraw/zinc/60/44/90/822604490.db2.gz RVCGDVYTKQGJBU-UHFFFAOYSA-N 1 0 380.414 4.005 20 0 GIADRO O=C(NC[C@H]1CCCO1)c1cccc(C[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)c1 ZINC000180051556 822604830 /nfs/dbraw/zinc/60/48/30/822604830.db2.gz VFQSZNWUPPMCRI-YADHBBJMSA-N 1 0 398.934 4.490 20 0 GIADRO C[C@@H](C[S@](C)=O)[NH2+]Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000184261394 822604909 /nfs/dbraw/zinc/60/49/09/822604909.db2.gz AWSQYYSRPOZSES-RZFZLAGVSA-N 1 0 386.344 4.429 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)c3oc(-c4ccccc4)nc3C)c2)CC1 ZINC000184261793 822605135 /nfs/dbraw/zinc/60/51/35/822605135.db2.gz ROWOSJVYQIYOCE-UHFFFAOYSA-N 1 0 390.487 4.044 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)[C@@H](C)c3ccc(Cl)s3)c2)CC1 ZINC000184262137 822605138 /nfs/dbraw/zinc/60/51/38/822605138.db2.gz AQTDUEIADIJFBS-AWEZNQCLSA-N 1 0 377.941 4.286 20 0 GIADRO Cc1nc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c(-c2ccccc2)o1 ZINC000184263393 822605246 /nfs/dbraw/zinc/60/52/46/822605246.db2.gz HADSODFSMSJZFO-UHFFFAOYSA-N 1 0 375.472 4.176 20 0 GIADRO O[C@@H](C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1)COCc1cccs1 ZINC000180054724 822605254 /nfs/dbraw/zinc/60/52/54/822605254.db2.gz PWSBEEWTMZBIMG-FUHWJXTLSA-N 1 0 385.451 4.385 20 0 GIADRO Cc1ccc(Cn2cc(C[NH2+][C@@H](C)C[S@@](C)=O)c(-c3ccc(C)cc3)n2)cc1 ZINC000184268252 822606121 /nfs/dbraw/zinc/60/61/21/822606121.db2.gz CYTZTBWOMYBEBZ-HMILPKGGSA-N 1 0 395.572 4.072 20 0 GIADRO C[C@H]([NH2+]C1CCN(C(=O)c2ccccc2)CC1)c1nc2ccc(Cl)cc2n1C ZINC000180059936 822606214 /nfs/dbraw/zinc/60/62/14/822606214.db2.gz KYWKREUWRSRPCH-HNNXBMFYSA-N 1 0 396.922 4.182 20 0 GIADRO C[C@@H]([NH2+][C@H](CCc1ccccc1)c1ccccc1)c1ccc(S(N)(=O)=O)cc1 ZINC000180061697 822606730 /nfs/dbraw/zinc/60/67/30/822606730.db2.gz JRXVBYZCOSPJNR-WZONZLPQSA-N 1 0 394.540 4.359 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)c3cc(Cl)sc3Cl)c2)CC1 ZINC000184273883 822606899 /nfs/dbraw/zinc/60/68/99/822606899.db2.gz QOCRQXJOFWUWOG-UHFFFAOYSA-N 1 0 384.332 4.449 20 0 GIADRO CN(Cc1c(C2CC2)nc2sccn12)C1CC[NH+](Cc2ccccc2)CC1 ZINC000180064338 822607264 /nfs/dbraw/zinc/60/72/64/822607264.db2.gz ZDBUKJRBMCNVJY-UHFFFAOYSA-N 1 0 380.561 4.370 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)NC1CCC(C(F)(F)F)CC1 ZINC000047777923 822608766 /nfs/dbraw/zinc/60/87/66/822608766.db2.gz LELPVSLEOIOSAC-UYSNPLJNSA-N 1 0 387.446 4.227 20 0 GIADRO C[C@H](C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1)c1nccs1 ZINC000184288589 822609118 /nfs/dbraw/zinc/60/91/18/822609118.db2.gz JJEHHHQLAWDQHG-QGZVFWFLSA-N 1 0 389.528 4.343 20 0 GIADRO C[C@@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1)c1nccs1 ZINC000184294282 822610021 /nfs/dbraw/zinc/61/00/21/822610021.db2.gz CDHGDWSIXQFLHI-INIZCTEOSA-N 1 0 375.501 4.284 20 0 GIADRO CS(=O)(=O)Cc1cccc(C[NH2+][C@H](c2ccc(F)cc2)C2CCCC2)c1 ZINC000180076357 822610602 /nfs/dbraw/zinc/61/06/02/822610602.db2.gz VGCHDKYSASLGKR-NRFANRHFSA-N 1 0 375.509 4.391 20 0 GIADRO CCOc1ccc(NC(=S)Nc2ccc(N3CC[NH+](CC)CC3)cc2C)cc1 ZINC000047808480 822611327 /nfs/dbraw/zinc/61/13/27/822611327.db2.gz NMYNXBCHCQHSAF-UHFFFAOYSA-N 1 0 398.576 4.345 20 0 GIADRO CCSc1ccc([C@H](C)[NH2+]CCCS(=O)(=O)c2ccccc2OC)cc1 ZINC000184307360 822611899 /nfs/dbraw/zinc/61/18/99/822611899.db2.gz KZSURZBXWRRFCP-INIZCTEOSA-N 1 0 393.574 4.322 20 0 GIADRO O=S(=O)(c1ccc(C[NH2+]Cc2ccc(Cl)c(Cl)c2)cc1)N1CCCC1 ZINC000047824389 822612749 /nfs/dbraw/zinc/61/27/49/822612749.db2.gz CZGUIYWMWKAFCS-UHFFFAOYSA-N 1 0 399.343 4.068 20 0 GIADRO COc1cc([C@@H](C)[NH2+]CC(=O)Nc2cc(F)ccc2F)ccc1OCC(C)C ZINC000180089947 822613213 /nfs/dbraw/zinc/61/32/13/822613213.db2.gz UVWYZCYMELIISD-CQSZACIVSA-N 1 0 392.446 4.298 20 0 GIADRO C[C@H]([NH2+]CC1(C)CCN(C(=O)OC(C)(C)C)CC1)c1ccc([S@@](C)=O)cc1 ZINC000184317344 822613436 /nfs/dbraw/zinc/61/34/36/822613436.db2.gz FRRVMSHWZOQQHZ-RKOGDMNLSA-N 1 0 394.581 4.112 20 0 GIADRO COc1ccc([C@@H](NC(=O)Nc2ccccc2CC[NH+](C)C)c2ccco2)cc1 ZINC000455233615 822614192 /nfs/dbraw/zinc/61/41/92/822614192.db2.gz UJHVZNWAZDHXHT-JOCHJYFZSA-N 1 0 393.487 4.303 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1cc(F)c(N2CCCC2)c(F)c1)c1cccs1 ZINC000047860968 822614595 /nfs/dbraw/zinc/61/45/95/822614595.db2.gz JEXNLJHRQPMBIB-MRXNPFEDSA-N 1 0 394.491 4.051 20 0 GIADRO COc1cc([C@@H](C)[NH2+]CC(=O)N[C@@H](C)c2cccs2)ccc1OCC(C)C ZINC000180096849 822614739 /nfs/dbraw/zinc/61/47/39/822614739.db2.gz OLMXMVHYJUSSSD-CVEARBPZSA-N 1 0 390.549 4.320 20 0 GIADRO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000180103349 822615599 /nfs/dbraw/zinc/61/55/99/822615599.db2.gz MFAUXRBHOBCEEX-ICSRJNTNSA-N 1 0 388.552 4.018 20 0 GIADRO C[C@@H](NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccc(OC(F)F)cc1 ZINC000047871759 822615682 /nfs/dbraw/zinc/61/56/82/822615682.db2.gz VSVHYAVSOPPOCQ-PBHICJAKSA-N 1 0 393.434 4.078 20 0 GIADRO CC(C)Oc1cccc([C@@H](C)NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000047882484 822616232 /nfs/dbraw/zinc/61/62/32/822616232.db2.gz BSALEKAXEXEBOK-XLIONFOSSA-N 1 0 385.508 4.264 20 0 GIADRO Cc1nc(C(F)(F)F)c(CNc2ccccc2C[NH+]2CCC(CO)CC2)s1 ZINC000184332631 822617106 /nfs/dbraw/zinc/61/71/06/822617106.db2.gz HPWBXZVKSVTQMJ-UHFFFAOYSA-N 1 0 399.482 4.287 20 0 GIADRO CCC(CC)n1nc(C)cc1C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000180108837 822617107 /nfs/dbraw/zinc/61/71/07/822617107.db2.gz VYVOGWQNLWBUPO-QGZVFWFLSA-N 1 0 388.581 4.256 20 0 GIADRO Cc1ccc(CNC(=O)C2CC[NH+](Cc3ccc(Cl)s3)CC2)cc1F ZINC000047892888 822617188 /nfs/dbraw/zinc/61/71/88/822617188.db2.gz YHDSTXWXQLMPMT-UHFFFAOYSA-N 1 0 380.916 4.377 20 0 GIADRO CCN1CCc2nc(NC(=O)c3ccc(C(F)(F)F)cc3Cl)sc2C1 ZINC000180112135 822617681 /nfs/dbraw/zinc/61/76/81/822617681.db2.gz CVNUMUQTVFDRLM-UHFFFAOYSA-N 1 0 389.830 4.446 20 0 GIADRO COc1ccc2oc([C@@H](C)[NH2+]CC(=O)N[C@@H](C)c3ccccc3OC)c(C)c2c1 ZINC000184337598 822618060 /nfs/dbraw/zinc/61/80/60/822618060.db2.gz LZYVIAHRWCNXFO-JKSUJKDBSA-N 1 0 396.487 4.286 20 0 GIADRO O=C(Nc1cccc(OC(F)F)c1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000047905913 822618271 /nfs/dbraw/zinc/61/82/71/822618271.db2.gz ZUYKPTIHIYNYQC-UHFFFAOYSA-N 1 0 381.467 4.408 20 0 GIADRO CCc1nn(C)cc1C[NH2+]Cc1ccccc1-c1ccc(Cn2cccn2)cc1 ZINC000180117863 822618841 /nfs/dbraw/zinc/61/88/41/822618841.db2.gz XBMDLOWYZDYCLL-UHFFFAOYSA-N 1 0 385.515 4.184 20 0 GIADRO CC(C)Oc1cccc([C@@H](O)C[NH2+][C@@H](C)c2nc3ccc(Cl)cc3n2C)c1 ZINC000180120279 822619304 /nfs/dbraw/zinc/61/93/04/822619304.db2.gz GPPRPFIZRKAAHS-XOBRGWDASA-N 1 0 387.911 4.398 20 0 GIADRO COc1ccc(OCc2nc(C[NH2+]C[C@@H](C)c3ncc(C)s3)cs2)cc1 ZINC000184344821 822619403 /nfs/dbraw/zinc/61/94/03/822619403.db2.gz JMEXXDSCKSQRRM-CYBMUJFWSA-N 1 0 389.546 4.389 20 0 GIADRO C[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1ccc(Br)s1 ZINC000180121163 822619529 /nfs/dbraw/zinc/61/95/29/822619529.db2.gz YAUQOTQOUHASAD-DXCKQFNASA-N 1 0 393.350 4.176 20 0 GIADRO Cc1cc2occ(C(=O)N3CCC(C[NH+]4C[C@H](C)O[C@@H](C)C4)CC3)c2cc1C ZINC000184347258 822619782 /nfs/dbraw/zinc/61/97/82/822619782.db2.gz UJYATBRODPKHTC-ROUUACIJSA-N 1 0 384.520 4.011 20 0 GIADRO Clc1ccc([C@H]([NH2+]Cc2cccnc2-n2cncn2)c2ccccc2)cc1 ZINC000180122727 822619882 /nfs/dbraw/zinc/61/98/82/822619882.db2.gz KROHALXEZDMSFC-HXUWFJFHSA-N 1 0 375.863 4.195 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)C1CC1 ZINC000047922661 822619939 /nfs/dbraw/zinc/61/99/39/822619939.db2.gz JCRDIHYHKGFPMK-INIZCTEOSA-N 1 0 396.318 4.037 20 0 GIADRO CCc1nn(C)cc1C[NH2+][C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000180122484 822619962 /nfs/dbraw/zinc/61/99/62/822619962.db2.gz GRWAEOWMVRXUNF-NRFANRHFSA-N 1 0 377.467 4.002 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]C[C@@H](O)COCc1ccco1 ZINC000184350549 822620438 /nfs/dbraw/zinc/62/04/38/822620438.db2.gz DNBMPPRYJYSAMY-CXAGYDPISA-N 1 0 390.480 4.079 20 0 GIADRO COc1cccc([C@@H](CNC(=O)N[C@H](C)c2cc(C)sc2C)[NH+](C)C)c1 ZINC000047936809 822621041 /nfs/dbraw/zinc/62/10/41/822621041.db2.gz UYMAQFLJRIGYJM-AUUYWEPGSA-N 1 0 375.538 4.037 20 0 GIADRO CC(C)C[NH+]1CCC(NC(=O)Nc2nc(-c3ccccc3Cl)ns2)CC1 ZINC000184355108 822621076 /nfs/dbraw/zinc/62/10/76/822621076.db2.gz QZQUGOVGCGZDFN-UHFFFAOYSA-N 1 0 393.944 4.100 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)NCc1ncc(-c2ccccc2)o1)c1ccccc1 ZINC000047948429 822621879 /nfs/dbraw/zinc/62/18/79/822621879.db2.gz QYCOQXMRBZYYJI-FQEVSTJZSA-N 1 0 392.503 4.224 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)NCc1coc(-c2cccs2)n1)c1ccccc1 ZINC000047948589 822622094 /nfs/dbraw/zinc/62/20/94/822622094.db2.gz GIEVMONDVMNMNB-GOSISDBHSA-N 1 0 398.532 4.285 20 0 GIADRO O=C(NCc1ncc(-c2ccccc2)o1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000047956417 822622358 /nfs/dbraw/zinc/62/23/58/822622358.db2.gz XFMUFFMTYLKYPX-KRWDZBQOSA-N 1 0 396.516 4.039 20 0 GIADRO Cc1cccc(NC(=O)NCCCC[NH+]2CCN(c3cccc(C)c3)CC2)c1 ZINC000047956308 822622396 /nfs/dbraw/zinc/62/23/96/822622396.db2.gz PGTCPQXPZJYKBL-UHFFFAOYSA-N 1 0 380.536 4.027 20 0 GIADRO CC[NH+](CC)CC1CCN(CC(=O)N[C@H](c2cccs2)c2ccccc2)CC1 ZINC000047977108 822623524 /nfs/dbraw/zinc/62/35/24/822623524.db2.gz UGQZFUPZLRXVCS-QHCPKHFHSA-N 1 0 399.604 4.008 20 0 GIADRO Cc1cc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)ccc1NC(=O)CC(C)C ZINC000180136467 822623689 /nfs/dbraw/zinc/62/36/89/822623689.db2.gz FQULYSJYYKFZDU-JTHBVZDNSA-N 1 0 393.531 4.155 20 0 GIADRO Cc1nc(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)c(-c2ccccc2)o1 ZINC000184381694 822625473 /nfs/dbraw/zinc/62/54/73/822625473.db2.gz MLEGPKLGNBYDHV-UHFFFAOYSA-N 1 0 393.462 4.184 20 0 GIADRO COc1cccc([C@@H](CNC(=S)Nc2cc(C)ccc2C)[NH+]2CCCC2)c1 ZINC000048040406 822626036 /nfs/dbraw/zinc/62/60/36/822626036.db2.gz BPPNUPQTIGJBAZ-OAQYLSRUSA-N 1 0 383.561 4.436 20 0 GIADRO COc1cc(C)c(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)cc1C ZINC000455282876 822626373 /nfs/dbraw/zinc/62/63/73/822626373.db2.gz LOXGKNDLZDIZCA-KRWDZBQOSA-N 1 0 381.520 4.298 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)Nc1ccccc1Br ZINC000048050409 822626770 /nfs/dbraw/zinc/62/67/70/822626770.db2.gz OPYBYZLIVZBYGA-UHFFFAOYSA-N 1 0 394.288 4.184 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Nc1ccccc1Br)c1ccc(F)cc1 ZINC000048050398 822626786 /nfs/dbraw/zinc/62/67/86/822626786.db2.gz QFAYFFHCUOOTDY-INIZCTEOSA-N 1 0 380.261 4.013 20 0 GIADRO C[C@H]([NH2+][C@@H](c1ccccc1F)C1CCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000180150457 822627485 /nfs/dbraw/zinc/62/74/85/822627485.db2.gz OOZYBECKUOQSIB-VBKZILBWSA-N 1 0 376.497 4.055 20 0 GIADRO COc1ccccc1N1CC[C@@H]([NH2+][C@@H](C)c2nc3ccc(Cl)cc3n2C)C1 ZINC000180151596 822627599 /nfs/dbraw/zinc/62/75/99/822627599.db2.gz LQTBTVIZKBWXKT-GOEBONIOSA-N 1 0 384.911 4.165 20 0 GIADRO C[C@H]([NH2+][C@H]1CCN(c2ncccc2Cl)C1)c1nc2ccc(Cl)cc2n1C ZINC000180152108 822627794 /nfs/dbraw/zinc/62/77/94/822627794.db2.gz QKSUTELNJZFFSK-JSGCOSHPSA-N 1 0 390.318 4.205 20 0 GIADRO Cc1ccc([C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)N(C)C)cc1 ZINC000180152174 822627803 /nfs/dbraw/zinc/62/78/03/822627803.db2.gz MHSZCJQEORLLIX-VTHDOGFWSA-N 1 0 387.568 4.118 20 0 GIADRO CCn1ccnc1[C@@H]([NH2+]C1CCCC1)c1ccc(I)cc1 ZINC000180156279 822628807 /nfs/dbraw/zinc/62/88/07/822628807.db2.gz GLEWIHPVYGWYQG-INIZCTEOSA-N 1 0 395.288 4.129 20 0 GIADRO Cc1csc(CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)n1 ZINC000180162412 822630010 /nfs/dbraw/zinc/63/00/10/822630010.db2.gz URGCBBOFANTCSF-ALOPSCKCSA-N 1 0 379.570 4.294 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)Nc2cccc(Cl)c2-n2cccn2)CC1 ZINC000048085007 822630536 /nfs/dbraw/zinc/63/05/36/822630536.db2.gz IZXTVPKNFNLNOK-UHFFFAOYSA-N 1 0 389.931 4.110 20 0 GIADRO Cc1ccc(C(=O)CCCC(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)cc1 ZINC000184415164 822630962 /nfs/dbraw/zinc/63/09/62/822630962.db2.gz INTQNWZHDJSVDO-UHFFFAOYSA-N 1 0 393.531 4.129 20 0 GIADRO C[C@@H]([NH2+]CCCc1nc(-c2ccncc2)cs1)c1nc2ccccc2n1C ZINC000180176418 822632802 /nfs/dbraw/zinc/63/28/02/822632802.db2.gz QZJNVPMGOYZUKR-OAHLLOKOSA-N 1 0 377.517 4.375 20 0 GIADRO CCc1nn(C)cc1C[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000180177195 822633031 /nfs/dbraw/zinc/63/30/31/822633031.db2.gz PAXCYJRQNMQMRY-UHFFFAOYSA-N 1 0 376.220 4.054 20 0 GIADRO O=C(NC1CC[NH+](CC2CCCC2)CC1)C1(c2ccc(F)cc2F)CCC1 ZINC000180185316 822634774 /nfs/dbraw/zinc/63/47/74/822634774.db2.gz DCMMDLNUUHFHGZ-UHFFFAOYSA-N 1 0 376.491 4.157 20 0 GIADRO CCOc1cccc(NC(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)c1 ZINC000048118481 822634907 /nfs/dbraw/zinc/63/49/07/822634907.db2.gz CVHBFELSORUPRU-NRFANRHFSA-N 1 0 383.492 4.053 20 0 GIADRO C[C@@H]([NH2+]CCc1nnc(-c2ccccc2)o1)c1nc2ccc(Cl)cc2n1C ZINC000180198264 822637718 /nfs/dbraw/zinc/63/77/18/822637718.db2.gz FLRSFVPGDKPDNZ-CYBMUJFWSA-N 1 0 381.867 4.170 20 0 GIADRO Cn1ccnc1CN[C@H](COc1cccc(F)c1)c1cccc(C(F)(F)F)c1 ZINC000180206670 822639341 /nfs/dbraw/zinc/63/93/41/822639341.db2.gz FJALXWZVFUCWAM-GOSISDBHSA-N 1 0 393.384 4.488 20 0 GIADRO O=C(CCn1ccc2cc(Cl)ccc21)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180207387 822639592 /nfs/dbraw/zinc/63/95/92/822639592.db2.gz PNWJABVYTDTAJA-UHFFFAOYSA-N 1 0 396.922 4.113 20 0 GIADRO Cc1nc(-c2ccccc2)c(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000180211558 822640285 /nfs/dbraw/zinc/64/02/85/822640285.db2.gz JPFKLMRAUQNDBI-UHFFFAOYSA-N 1 0 392.528 4.160 20 0 GIADRO O=C1C[C@@H]([NH2+]Cc2cnc(-c3cccs3)s2)CN1c1c(F)cccc1F ZINC000180221330 822642008 /nfs/dbraw/zinc/64/20/08/822642008.db2.gz CSOPXZCOABZZDG-LLVKDONJSA-N 1 0 391.468 4.045 20 0 GIADRO Cn1cc(C[NH2+]C[C@@H](O)c2ccc(C(C)(C)C)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000180222637 822642437 /nfs/dbraw/zinc/64/24/37/822642437.db2.gz TWZUXMPAFYXHLO-JOCHJYFZSA-N 1 0 388.515 4.079 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)NC[C@@H](C)c2ncc(C)s2)CC1 ZINC000184478010 822642778 /nfs/dbraw/zinc/64/27/78/822642778.db2.gz WNMBDCGCJPFNEN-MRXNPFEDSA-N 1 0 380.602 4.099 20 0 GIADRO CN(Cc1cc(F)c(F)c(F)c1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000180223956 822642897 /nfs/dbraw/zinc/64/28/97/822642897.db2.gz KGPIWXRODHVRCE-UHFFFAOYSA-N 1 0 391.437 4.041 20 0 GIADRO CCC(=O)Nc1cccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)c1 ZINC000048183728 822643068 /nfs/dbraw/zinc/64/30/68/822643068.db2.gz JBNGXDHECGAWNS-IBGZPJMESA-N 1 0 399.560 4.300 20 0 GIADRO Cc1ccccc1C1(C[NH2+][C@@H](c2cnn(C)c2)c2cccc(F)c2)CCOCC1 ZINC000180225450 822643203 /nfs/dbraw/zinc/64/32/03/822643203.db2.gz MAYLPSCPHAZHKG-HSZRJFAPSA-N 1 0 393.506 4.295 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)Nc1ccc(F)cc1OCCC(F)(F)F ZINC000455380445 822643582 /nfs/dbraw/zinc/64/35/82/822643582.db2.gz IVHORVODOHXGGS-UHFFFAOYSA-N 1 0 393.425 4.399 20 0 GIADRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1cccc(N3CCCS3(=O)=O)c1)[C@@H](C)C2 ZINC000180228935 822643773 /nfs/dbraw/zinc/64/37/73/822643773.db2.gz LYPMOLAITAADCG-PNLZDCPESA-N 1 0 384.545 4.119 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000180229262 822643935 /nfs/dbraw/zinc/64/39/35/822643935.db2.gz ZCVZHEYMHUOGSF-ZUSMLRIVSA-N 1 0 397.899 4.063 20 0 GIADRO O=C(c1csc(-c2ccc(F)c(F)c2)n1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000180231199 822644621 /nfs/dbraw/zinc/64/46/21/822644621.db2.gz YYXPSKUSETUZHC-OAHLLOKOSA-N 1 0 391.487 4.179 20 0 GIADRO Cc1cc(C)n(-c2ccc(C[NH2+][C@H](C)c3c[nH]nc3C)c(C(F)(F)F)c2)n1 ZINC000180236643 822645667 /nfs/dbraw/zinc/64/56/67/822645667.db2.gz AFUNPDCZKFMNHL-CYBMUJFWSA-N 1 0 377.414 4.390 20 0 GIADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)c1ncccc1C(F)(F)F ZINC000180238068 822646053 /nfs/dbraw/zinc/64/60/53/822646053.db2.gz KMYOAYKGVRGDAQ-UHFFFAOYSA-N 1 0 385.455 4.146 20 0 GIADRO O=C(Nc1cccc(Br)c1Cl)NC1CC[NH+](C2CCC2)CC1 ZINC000455396626 822646365 /nfs/dbraw/zinc/64/63/65/822646365.db2.gz NJHJHPHJQFYORF-UHFFFAOYSA-N 1 0 386.721 4.241 20 0 GIADRO CC(C)(C)OC(=O)NC1CCC([NH2+]Cc2coc(-c3cccs3)n2)CC1 ZINC000180242670 822646846 /nfs/dbraw/zinc/64/68/46/822646846.db2.gz ICKHSPIDOIZQJI-UHFFFAOYSA-N 1 0 377.510 4.329 20 0 GIADRO C[C@H]1CCC[N@H+](CCCCNC(=O)Cc2csc(-c3cccc(F)c3)n2)C1 ZINC000048237336 822647211 /nfs/dbraw/zinc/64/72/11/822647211.db2.gz ILGJDPHEUCMVQS-INIZCTEOSA-N 1 0 389.540 4.120 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)Cc1csc(-c2cccc(F)c2)n1 ZINC000048236985 822647281 /nfs/dbraw/zinc/64/72/81/822647281.db2.gz WEBMXXUIJKJSSR-MRXNPFEDSA-N 1 0 389.540 4.263 20 0 GIADRO C[C@@H]1C[C@@H](CCNC(=O)NC[C@@H]2CCCC2(F)F)C[N@@H+]1Cc1ccccc1 ZINC000455405169 822647626 /nfs/dbraw/zinc/64/76/26/822647626.db2.gz GRYIKRHUMIZFLF-QRQLOZEOSA-N 1 0 379.495 4.022 20 0 GIADRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+]CC(=O)Nc1ccncc1 ZINC000184513617 822648451 /nfs/dbraw/zinc/64/84/51/822648451.db2.gz RCGBQAXXVSEIEA-GFCCVEGCSA-N 1 0 386.908 4.456 20 0 GIADRO Cc1ccc(NC(=O)C(C)C)cc1NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000048255340 822648715 /nfs/dbraw/zinc/64/87/15/822648715.db2.gz SFQAIDXVCFPVJJ-IBGZPJMESA-N 1 0 398.507 4.141 20 0 GIADRO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)C1(c2ccc(F)cc2F)CCC1 ZINC000180261922 822650169 /nfs/dbraw/zinc/65/01/69/822650169.db2.gz FVVOEJGZDPNEED-LJQANCHMSA-N 1 0 398.497 4.067 20 0 GIADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)Nc3ccc4nc(C(F)F)sc4c3)C2)C1 ZINC000455430932 822652442 /nfs/dbraw/zinc/65/24/42/822652442.db2.gz JMCZVGRLQYKMFL-GOSISDBHSA-N 1 0 380.464 4.184 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc2c(c1)N(C)CC2 ZINC000180275565 822652695 /nfs/dbraw/zinc/65/26/95/822652695.db2.gz UIKPDCXMXCNBOL-HXUWFJFHSA-N 1 0 392.547 4.055 20 0 GIADRO O=C(O[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(-c2cncnc2)cc1F ZINC000184534509 822652786 /nfs/dbraw/zinc/65/27/86/822652786.db2.gz YUUWIVRXDGCYAH-HXUWFJFHSA-N 1 0 391.446 4.104 20 0 GIADRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)CSCc3cccnc3)cc2)C1 ZINC000048311281 822653017 /nfs/dbraw/zinc/65/30/17/822653017.db2.gz XIJHWGGQAVTLAE-OALUTQOASA-N 1 0 397.588 4.109 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)Cc3noc4ccccc34)cc2)C1 ZINC000048310893 822653036 /nfs/dbraw/zinc/65/30/36/822653036.db2.gz FBTMCQRXFQATAB-HDICACEKSA-N 1 0 391.515 4.165 20 0 GIADRO CCOCc1cc(C[N@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)ccc1OC ZINC000180280554 822654013 /nfs/dbraw/zinc/65/40/13/822654013.db2.gz IASRRNUCWSCFAY-QMTYFTJSSA-N 1 0 375.534 4.162 20 0 GIADRO Cc1cc(NC(=O)CC[NH2+][C@H](C)c2sc(-c3ccc(C)cc3)nc2C)no1 ZINC000184541326 822654247 /nfs/dbraw/zinc/65/42/47/822654247.db2.gz ADVGFTKEGNQGNT-CQSZACIVSA-N 1 0 384.505 4.403 20 0 GIADRO C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)Nc1ccc3nc(-c4ccccn4)oc3c1)C2 ZINC000180287512 822655983 /nfs/dbraw/zinc/65/59/83/822655983.db2.gz BIBTZPHNDWTKGT-ALOPSCKCSA-N 1 0 391.475 4.027 20 0 GIADRO C[C@H](Oc1ccccc1NC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1)C(F)(F)F ZINC000455451723 822657014 /nfs/dbraw/zinc/65/70/14/822657014.db2.gz UGJDVSZTVKLTBV-GJZGRUSLSA-N 1 0 399.457 4.354 20 0 GIADRO Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)N[C@@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000184559079 822657167 /nfs/dbraw/zinc/65/71/67/822657167.db2.gz WKULXGMSBTYBHJ-SFTDATJTSA-N 1 0 397.567 4.030 20 0 GIADRO Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000180294282 822657812 /nfs/dbraw/zinc/65/78/12/822657812.db2.gz MHSNLOFQLFJPLT-IRXDYDNUSA-N 1 0 389.569 4.018 20 0 GIADRO Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000180294302 822657822 /nfs/dbraw/zinc/65/78/22/822657822.db2.gz MHSNLOFQLFJPLT-SJORKVTESA-N 1 0 389.569 4.018 20 0 GIADRO Cc1nc2cc(F)cc(C(=O)NC[C@H](c3cccs3)[NH+]3CCCC3)c2nc1C ZINC000048381945 822657886 /nfs/dbraw/zinc/65/78/86/822657886.db2.gz IHYHFLONKKSSAR-GOSISDBHSA-N 1 0 398.507 4.014 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)C[NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)cc1 ZINC000180294938 822658063 /nfs/dbraw/zinc/65/80/63/822658063.db2.gz PFGLJMMILHXLMH-JOCHJYFZSA-N 1 0 383.467 4.244 20 0 GIADRO O=C(Nc1cc(C2CC2)ccn1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000455457405 822658096 /nfs/dbraw/zinc/65/80/96/822658096.db2.gz CILAAYNGEQJGAI-UHFFFAOYSA-N 1 0 390.531 4.479 20 0 GIADRO CCc1cccc(Oc2ccc(NC(=O)NC3CC[NH+](C4CC4)CC3)cn2)c1 ZINC000048388941 822658463 /nfs/dbraw/zinc/65/84/63/822658463.db2.gz HHZFYZYYKDCOQY-UHFFFAOYSA-N 1 0 380.492 4.185 20 0 GIADRO CCC(=O)Nc1ccc(NC(=O)NC[C@H](Cc2ccccc2)[NH+](CC)CC)cc1 ZINC000048390199 822658638 /nfs/dbraw/zinc/65/86/38/822658638.db2.gz ZBLSFYTUUSHQPZ-NRFANRHFSA-N 1 0 396.535 4.110 20 0 GIADRO CC1(C)CC(NC(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)CC(C)(C)[NH2+]1 ZINC000180297446 822658809 /nfs/dbraw/zinc/65/88/09/822658809.db2.gz QKHQJVVFGBTFJP-UHFFFAOYSA-N 1 0 393.491 4.321 20 0 GIADRO CCC(=O)Nc1ccc(NC(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000048393791 822659127 /nfs/dbraw/zinc/65/91/27/822659127.db2.gz IAWVWSCCDCCHOK-UHFFFAOYSA-N 1 0 394.519 4.343 20 0 GIADRO CCC(CC)[C@H]1C[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCCC2)CCO1 ZINC000180300324 822659436 /nfs/dbraw/zinc/65/94/36/822659436.db2.gz VEEBDCMZSLYZDR-FCHUYYIVSA-N 1 0 387.568 4.065 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NCc1cc2ccccc2o1 ZINC000180300807 822659595 /nfs/dbraw/zinc/65/95/95/822659595.db2.gz ZXTGDNXWNCLYAZ-UHFFFAOYSA-N 1 0 392.503 4.276 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)c2ccc(F)cc2Br)CC1 ZINC000048402262 822659939 /nfs/dbraw/zinc/65/99/39/822659939.db2.gz YKISWWDVHOOGFC-UHFFFAOYSA-N 1 0 385.321 4.172 20 0 GIADRO O[C@@H](C[NH2+]C1CCN(Cc2cccnc2)CC1)c1ccc(-c2ccccc2)cc1 ZINC000184584199 822661251 /nfs/dbraw/zinc/66/12/51/822661251.db2.gz BARLVMSSTKGBMH-VWLOTQADSA-N 1 0 387.527 4.036 20 0 GIADRO CN(Cc1cc(F)c(F)c(F)c1)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000180310578 822661432 /nfs/dbraw/zinc/66/14/32/822661432.db2.gz SQRPFFBEPPONOF-IBGZPJMESA-N 1 0 391.437 4.082 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)N(C)Cc2ccc(Br)cc2)o1 ZINC000048434470 822661686 /nfs/dbraw/zinc/66/16/86/822661686.db2.gz VHKUTLMKSGGLBH-UHFFFAOYSA-N 1 0 379.298 4.156 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@H]1C[C@H]1c1cccc(F)c1 ZINC000180319566 822662774 /nfs/dbraw/zinc/66/27/74/822662774.db2.gz JUIKOWIZKSWQNC-VXKWHMMOSA-N 1 0 396.510 4.025 20 0 GIADRO C[C@@H]([NH2+]C(C)(C)CNC(=O)Nc1ncn(C2CCCCC2)n1)c1ccccc1 ZINC000184592965 822662882 /nfs/dbraw/zinc/66/28/82/822662882.db2.gz ZRPGDZNICWGHMO-MRXNPFEDSA-N 1 0 384.528 4.034 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1ccc(F)cc1Br)c1cccs1 ZINC000048451608 822662907 /nfs/dbraw/zinc/66/29/07/822662907.db2.gz YHHVXOAIDHOSHO-CYBMUJFWSA-N 1 0 386.290 4.074 20 0 GIADRO 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 822663231 /nfs/dbraw/zinc/66/32/31/822663231.db2.gz WIGAHCZUCRIQFD-WCSCSJSISA-N 1 0 395.469 4.423 20 0 GIADRO Cc1cc(C)c(NC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c(C)n1 ZINC000455483044 822663238 /nfs/dbraw/zinc/66/32/38/822663238.db2.gz PVVHBRRPZYRWOM-UHFFFAOYSA-N 1 0 380.536 4.383 20 0 GIADRO Cc1ccc([C@H](C[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)N(C)C)cc1 ZINC000180325114 822663617 /nfs/dbraw/zinc/66/36/17/822663617.db2.gz KIVADDONFQWHSF-MHJFOBGBSA-N 1 0 375.557 4.023 20 0 GIADRO CCOc1ccccc1[C@H](CC)NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180325668 822663640 /nfs/dbraw/zinc/66/36/40/822663640.db2.gz RPOSAEGZHORTKH-NRFANRHFSA-N 1 0 396.535 4.147 20 0 GIADRO CSCC[C@H]([NH2+]CCOc1cccc2ccccc21)c1nnc2ccccn21 ZINC000184606655 822664885 /nfs/dbraw/zinc/66/48/85/822664885.db2.gz DUDRGFKWECIQFP-IBGZPJMESA-N 1 0 392.528 4.345 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H]1C[C@H](c2cccc(OC)c2)C1 ZINC000455491054 822664956 /nfs/dbraw/zinc/66/49/56/822664956.db2.gz RNQLBIVGAQZLBM-HZCBDIJESA-N 1 0 395.547 4.235 20 0 GIADRO O=C1CCCCN1CC1CC[NH+](Cc2c(Cl)cccc2N2CCCC2)CC1 ZINC000180337657 822666022 /nfs/dbraw/zinc/66/60/22/822666022.db2.gz JUWYQJBAGMTGOL-UHFFFAOYSA-N 1 0 389.971 4.165 20 0 GIADRO Clc1ccccc1[C@H]([NH2+]CCc1nccs1)c1ccc2c(c1)OCCO2 ZINC000180341081 822666517 /nfs/dbraw/zinc/66/65/17/822666517.db2.gz CWJLNBHQQRKGJM-HXUWFJFHSA-N 1 0 386.904 4.489 20 0 GIADRO C[C@H](c1ccccc1Br)N(C)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000455503153 822667282 /nfs/dbraw/zinc/66/72/82/822667282.db2.gz NOIKIGZDOFHNEH-CQSZACIVSA-N 1 0 394.357 4.168 20 0 GIADRO Cc1c(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cccc1-c1ncco1 ZINC000455504071 822667449 /nfs/dbraw/zinc/66/74/49/822667449.db2.gz IWQHIRVHMSGDRS-SFHVURJKSA-N 1 0 380.448 4.202 20 0 GIADRO CC(C)[NH+]1CCN(c2ccc(C(=O)Nc3c(F)cc(Cl)cc3F)cc2)CC1 ZINC000180350587 822668103 /nfs/dbraw/zinc/66/81/03/822668103.db2.gz QVYUPBVCRSBWBM-UHFFFAOYSA-N 1 0 393.865 4.401 20 0 GIADRO C[C@@H](Sc1nc2ccccc2s1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000180350464 822668124 /nfs/dbraw/zinc/66/81/24/822668124.db2.gz JPKQBPREQVYPJG-GFCCVEGCSA-N 1 0 377.579 4.202 20 0 GIADRO CC(C)Oc1ccc2ccccc2c1C[NH2+][C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000184641428 822669782 /nfs/dbraw/zinc/66/97/82/822669782.db2.gz DAJOUODZRWWCKF-FPOVZHCZSA-N 1 0 375.534 4.072 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)N(C)Cc2cc(F)c(F)c(F)c2)c1 ZINC000180361983 822670476 /nfs/dbraw/zinc/67/04/76/822670476.db2.gz IBVPTLYOZOGEIN-UHFFFAOYSA-N 1 0 393.453 4.287 20 0 GIADRO COCCCCNC(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000048534776 822670625 /nfs/dbraw/zinc/67/06/25/822670625.db2.gz QZLHSFHPZMYDAB-UHFFFAOYSA-N 1 0 395.547 4.175 20 0 GIADRO COc1ccc(NC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)c(C(F)(F)F)c1 ZINC000048549225 822671402 /nfs/dbraw/zinc/67/14/02/822671402.db2.gz CDDAYLDKVLBLPJ-AWEZNQCLSA-N 1 0 387.446 4.348 20 0 GIADRO Cc1cc(C)c(NC(=O)NC[C@H](c2ccc(OC(C)C)cc2)[NH+](C)C)c(C)n1 ZINC000455533013 822671486 /nfs/dbraw/zinc/67/14/86/822671486.db2.gz SYFAFOMUQIYUNV-HXUWFJFHSA-N 1 0 384.524 4.218 20 0 GIADRO COc1ccc([C@@H](C[NH2+][C@H](C)c2ccc3ccccc3n2)N(C)C)cc1OC ZINC000180379503 822672824 /nfs/dbraw/zinc/67/28/24/822672824.db2.gz DJNXZRARALQGNJ-IIBYNOLFSA-N 1 0 379.504 4.206 20 0 GIADRO COc1ccc([C@@H](C[NH2+][C@H](C)c2cnc3ccsc3c2)N(C)C)cc1OC ZINC000180379422 822672826 /nfs/dbraw/zinc/67/28/26/822672826.db2.gz NYONWFMJYOZEPC-RDTXWAMCSA-N 1 0 385.533 4.267 20 0 GIADRO CCCC[C@H]([NH2+][C@@H](C)c1c[nH]nc1C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000180380270 822672912 /nfs/dbraw/zinc/67/29/12/822672912.db2.gz UZETZTLLJKWCNL-KKSFZXQISA-N 1 0 383.540 4.166 20 0 GIADRO CC(=O)Nc1cc(NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)ccc1C ZINC000184665513 822672971 /nfs/dbraw/zinc/67/29/71/822672971.db2.gz VGIUQNJMKLHDGJ-UHFFFAOYSA-N 1 0 379.504 4.194 20 0 GIADRO COc1ccc(F)cc1[C@H](C)NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000184670571 822673632 /nfs/dbraw/zinc/67/36/32/822673632.db2.gz OCNKTOLPXXHEBW-KRWDZBQOSA-N 1 0 384.495 4.314 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H]1CCCN(C)c2ccccc21 ZINC000455549327 822673730 /nfs/dbraw/zinc/67/37/30/822673730.db2.gz HZWPMRHDCWCXJJ-QFIPXVFZSA-N 1 0 394.563 4.251 20 0 GIADRO Brc1ccc2[nH]c(C[NH2+]C3CCN(Cc4ccccn4)CC3)cc2c1 ZINC000184673120 822673820 /nfs/dbraw/zinc/67/38/20/822673820.db2.gz IIGROZKIZBFPMB-UHFFFAOYSA-N 1 0 399.336 4.080 20 0 GIADRO C[C@@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000455560108 822674630 /nfs/dbraw/zinc/67/46/30/822674630.db2.gz LQLDPSDPGBWOHZ-HNNXBMFYSA-N 1 0 397.485 4.295 20 0 GIADRO Cc1ccc(-c2nc(CC[NH2+][C@H](c3cnn(C)c3)c3cccc(F)c3)co2)cc1 ZINC000180391936 822674880 /nfs/dbraw/zinc/67/48/80/822674880.db2.gz IYRARAWZHJGBIN-QFIPXVFZSA-N 1 0 390.462 4.444 20 0 GIADRO CC(C)NC(=O)c1ccc(NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000184678490 822674868 /nfs/dbraw/zinc/67/48/68/822674868.db2.gz ZYYKJAKILSIGEH-UHFFFAOYSA-N 1 0 393.531 4.066 20 0 GIADRO O=C(N[C@@H](c1ccc(F)c(Cl)c1)C1CC1)NC1CC[NH+](C2CCC2)CC1 ZINC000455561701 822675035 /nfs/dbraw/zinc/67/50/35/822675035.db2.gz NDLYNHBGJNJUGS-LJQANCHMSA-N 1 0 379.907 4.246 20 0 GIADRO Cn1cc(CCC[NH2+][C@@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)cn1 ZINC000180400384 822675526 /nfs/dbraw/zinc/67/55/26/822675526.db2.gz LYZHVDOUSOVWTR-QFIPXVFZSA-N 1 0 397.906 4.157 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)Nc2ccc(OC(F)F)cn2)CC1 ZINC000455569052 822676129 /nfs/dbraw/zinc/67/61/29/822676129.db2.gz KELDONBEENRMRU-AWEZNQCLSA-N 1 0 390.434 4.030 20 0 GIADRO Cc1c(-c2cc(C[NH+]3CCC(Oc4ccccc4Cl)CC3)on2)cnn1C ZINC000184688994 822676864 /nfs/dbraw/zinc/67/68/64/822676864.db2.gz NLQDGVKHXNUDEL-UHFFFAOYSA-N 1 0 386.883 4.080 20 0 GIADRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](c1ccccc1)c1ccccc1Br)CC2 ZINC000180409819 822676882 /nfs/dbraw/zinc/67/68/82/822676882.db2.gz GEROCKSJXYIPAM-JXFKEZNVSA-N 1 0 397.320 4.043 20 0 GIADRO COc1cc(NC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)cc(OC)c1C ZINC000455574805 822677293 /nfs/dbraw/zinc/67/72/93/822677293.db2.gz JHLRIHPRVLXYRL-GOSISDBHSA-N 1 0 389.540 4.132 20 0 GIADRO C[C@H](Cc1ccc(Br)cc1)[NH2+]C1CCN(c2nccs2)CC1 ZINC000180412761 822677523 /nfs/dbraw/zinc/67/75/23/822677523.db2.gz PBSQLQDXDYCFFI-CYBMUJFWSA-N 1 0 380.355 4.095 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H]1CSc2ccccc21 ZINC000180420769 822678565 /nfs/dbraw/zinc/67/85/65/822678565.db2.gz LUUSYKKTZJIQAQ-FQEVSTJZSA-N 1 0 381.545 4.036 20 0 GIADRO COc1cc(NC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)cc(OC)c1C ZINC000455583732 822678623 /nfs/dbraw/zinc/67/86/23/822678623.db2.gz ZWBBDSFGVOQJCL-SJLPKXTDSA-N 1 0 389.540 4.131 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3ccc4ccccc4c3O)cc2)CC1 ZINC000180420176 822678664 /nfs/dbraw/zinc/67/86/64/822678664.db2.gz DMDRKBGXTPETQW-UHFFFAOYSA-N 1 0 389.499 4.328 20 0 GIADRO CC[C@H](OC1CCCCC1)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000180421432 822678696 /nfs/dbraw/zinc/67/86/96/822678696.db2.gz QBVHMCBTFRDCOS-QFIPXVFZSA-N 1 0 387.568 4.283 20 0 GIADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N[C@H](c1ccccc1)C(F)F ZINC000455585344 822678826 /nfs/dbraw/zinc/67/88/26/822678826.db2.gz BXPDSODVTHRQCX-NVXWUHKLSA-N 1 0 379.476 4.191 20 0 GIADRO Cc1ccsc1[C@H]1C[C@H]1C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180427672 822679901 /nfs/dbraw/zinc/67/99/01/822679901.db2.gz DAHDVIVNZAZQQS-VQTJNVASSA-N 1 0 383.561 4.320 20 0 GIADRO C[C@@H]([NH2+]C1(c2cccc(Br)c2)CCC1)c1ccc(-n2cnnn2)cc1 ZINC000180428776 822680018 /nfs/dbraw/zinc/68/00/18/822680018.db2.gz PZWIZYGUDYTQGB-CQSZACIVSA-N 1 0 398.308 4.155 20 0 GIADRO COc1cc(Cl)cc(C[NH2+]C[C@H](O)c2c(Cl)cccc2Cl)c1O ZINC000184709095 822680191 /nfs/dbraw/zinc/68/01/91/822680191.db2.gz ZBHCHADSTITPFK-ZDUSSCGKSA-N 1 0 376.667 4.184 20 0 GIADRO CCOCCC1(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)CCCC1 ZINC000180429534 822680303 /nfs/dbraw/zinc/68/03/03/822680303.db2.gz AJMIKLRNECRZHJ-UHFFFAOYSA-N 1 0 387.568 4.143 20 0 GIADRO CCCC[C@H]1CCC[C@H]1[NH2+]Cc1nnc(C(=O)Nc2ccc(OC)cc2)s1 ZINC000184710421 822680326 /nfs/dbraw/zinc/68/03/26/822680326.db2.gz PBUYIUJKTXTVMB-WMLDXEAASA-N 1 0 388.537 4.248 20 0 GIADRO C[C@@H]1C[C@@H](CCNC(=O)NCCC2CC(F)(F)C2)C[N@@H+]1Cc1ccccc1 ZINC000455593286 822680464 /nfs/dbraw/zinc/68/04/64/822680464.db2.gz HCZDJULLVAHPIR-SJLPKXTDSA-N 1 0 379.495 4.022 20 0 GIADRO O=C(CC[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1)N1CCCCC1 ZINC000048745476 822680702 /nfs/dbraw/zinc/68/07/02/822680702.db2.gz SUZILRUJLRMWGB-UHFFFAOYSA-N 1 0 399.922 4.085 20 0 GIADRO C[C@@H](C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)c1c(F)cccc1F ZINC000180432476 822680778 /nfs/dbraw/zinc/68/07/78/822680778.db2.gz XEJGEQPCYXBFHF-MRXNPFEDSA-N 1 0 387.474 4.228 20 0 GIADRO Cc1cccc(C[NH2+]Cc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)c1 ZINC000048744994 822680770 /nfs/dbraw/zinc/68/07/70/822680770.db2.gz FWQCQKUUHLHODR-UHFFFAOYSA-N 1 0 390.506 4.146 20 0 GIADRO COc1cccc(OC)c1Oc1ccc(C[NH2+]Cc2ccc(F)c(F)c2)cn1 ZINC000048749633 822681179 /nfs/dbraw/zinc/68/11/79/822681179.db2.gz GAUGYYWAPNWPIU-UHFFFAOYSA-N 1 0 386.398 4.459 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1ccc2ncsc2c1 ZINC000180438705 822682193 /nfs/dbraw/zinc/68/21/93/822682193.db2.gz FBKWDXMPKJFFGA-UHFFFAOYSA-N 1 0 380.517 4.070 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1ccc(Cl)nc1Cl ZINC000180440512 822682404 /nfs/dbraw/zinc/68/24/04/822682404.db2.gz SWZBURADQADABI-UHFFFAOYSA-N 1 0 393.318 4.162 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(Cl)c(Cl)c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000048780194 822682601 /nfs/dbraw/zinc/68/26/01/822682601.db2.gz IOHUSTWEUBQAKY-LBPRGKRZSA-N 1 0 387.332 4.095 20 0 GIADRO C[C@H](CN1CCCC1=O)[NH2+]Cc1ccc(-c2ccccc2Br)s1 ZINC000048780073 822682657 /nfs/dbraw/zinc/68/26/57/822682657.db2.gz UEAWLLFKAOUTMD-CYBMUJFWSA-N 1 0 393.350 4.278 20 0 GIADRO Cc1ccc([C@H](CNC(=O)N[C@H](c2ccccc2)C(F)F)[NH+]2CCCC2)o1 ZINC000455604239 822682955 /nfs/dbraw/zinc/68/29/55/822682955.db2.gz TZZLTAPZBVFIEI-FUHWJXTLSA-N 1 0 377.435 4.031 20 0 GIADRO CC1(C(=O)N[C@@H]2CCCOc3ccccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000184728546 822682977 /nfs/dbraw/zinc/68/29/77/822682977.db2.gz KIMGDSLEEVRTAT-OAQYLSRUSA-N 1 0 378.516 4.319 20 0 GIADRO CC(C)(C)n1cc(C[NH2+]Cc2cccc(NC(=O)c3cccc(F)c3)c2)cn1 ZINC000048781575 822683083 /nfs/dbraw/zinc/68/30/83/822683083.db2.gz KXZJXNPVLWDIQW-UHFFFAOYSA-N 1 0 380.467 4.319 20 0 GIADRO COc1ccccc1SC[C@H](C)C[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000180445489 822683438 /nfs/dbraw/zinc/68/34/38/822683438.db2.gz LYUKRJWFERAJMV-IAGOWNOFSA-N 1 0 382.533 4.355 20 0 GIADRO CC(=O)Nc1cccc(OCC[NH2+][C@@H](C)c2ccccc2OC(F)(F)F)c1 ZINC000180450329 822684509 /nfs/dbraw/zinc/68/45/09/822684509.db2.gz JNJMJYKSXDQVSO-ZDUSSCGKSA-N 1 0 382.382 4.273 20 0 GIADRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCc1nc(-c2ccsc2)no1 ZINC000184741848 822684645 /nfs/dbraw/zinc/68/46/45/822684645.db2.gz YFOBQOPZYUKMLG-HOTGVXAUSA-N 1 0 382.533 4.044 20 0 GIADRO COCc1cccc(CNC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)c1 ZINC000048826036 822684955 /nfs/dbraw/zinc/68/49/55/822684955.db2.gz FGRIMJNJZDSRHR-LJQANCHMSA-N 1 0 395.547 4.207 20 0 GIADRO CC1(C(=O)N2CC[C@@H](Nc3ccccc3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000184746990 822685394 /nfs/dbraw/zinc/68/53/94/822685394.db2.gz AKOVMNMRXDUMOJ-JOCHJYFZSA-N 1 0 377.532 4.002 20 0 GIADRO CCC[C@H]1C[C@H](C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CCO1 ZINC000180471541 822687923 /nfs/dbraw/zinc/68/79/23/822687923.db2.gz YLYPZEMUZMZGNT-BXXSPATCSA-N 1 0 384.564 4.095 20 0 GIADRO CC(C)(C)OC(=O)NCCCOC1CC[NH+](Cc2cccc3[nH]ccc32)CC1 ZINC000180473271 822688006 /nfs/dbraw/zinc/68/80/06/822688006.db2.gz CHZQNJNDFXVEAZ-UHFFFAOYSA-N 1 0 387.524 4.064 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(Cl)ccc2OC(F)(F)F)C1 ZINC000455640030 822688900 /nfs/dbraw/zinc/68/89/00/822688900.db2.gz NTXCTWZYWBSCAC-LBPRGKRZSA-N 1 0 393.837 4.434 20 0 GIADRO CC(C)CN(C(=O)Nc1ccnn1CC[NH+](C)C)[C@H](C)c1ccccc1Cl ZINC000455643228 822689686 /nfs/dbraw/zinc/68/96/86/822689686.db2.gz DPTOXIYWTMNOGN-MRXNPFEDSA-N 1 0 391.947 4.349 20 0 GIADRO CC(C)CN(C(=O)Nc1ccnn1CC[NH+](C)C)[C@@H](C)c1ccccc1Cl ZINC000455643223 822689739 /nfs/dbraw/zinc/68/97/39/822689739.db2.gz DPTOXIYWTMNOGN-INIZCTEOSA-N 1 0 391.947 4.349 20 0 GIADRO CCOc1ccc(-c2nc(C(=O)N3CCC(C[NH+]4CCCC4)CC3)cs2)cc1 ZINC000049072826 822692018 /nfs/dbraw/zinc/69/20/18/822692018.db2.gz CLJIDBWIBWEGOJ-UHFFFAOYSA-N 1 0 399.560 4.157 20 0 GIADRO COc1cc([C@@H](C)[NH2+]CCCc2ccc(Cl)cc2)ccc1S(C)(=O)=O ZINC000180506907 822693004 /nfs/dbraw/zinc/69/30/04/822693004.db2.gz XEGPQIRNIYZXII-CQSZACIVSA-N 1 0 381.925 4.036 20 0 GIADRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1cc(Br)c(OC)c(OC)c1)CC2 ZINC000180507012 822693010 /nfs/dbraw/zinc/69/30/10/822693010.db2.gz QNAXOUBZDMIGCF-KRWDZBQOSA-N 1 0 392.293 4.252 20 0 GIADRO C[C@@H]1CN(C(=O)Nc2ccc([C@@H]3CCOC3)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000455657786 822693255 /nfs/dbraw/zinc/69/32/55/822693255.db2.gz DGMUZWSTOONMNB-SIKLNZKXSA-N 1 0 393.531 4.176 20 0 GIADRO CSCc1ccccc1NC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000184805876 822693373 /nfs/dbraw/zinc/69/33/73/822693373.db2.gz UFUZPPDNXQGIJK-INIZCTEOSA-N 1 0 384.549 4.292 20 0 GIADRO CSCc1ccccc1NC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000184805899 822693393 /nfs/dbraw/zinc/69/33/93/822693393.db2.gz UFUZPPDNXQGIJK-MRXNPFEDSA-N 1 0 384.549 4.292 20 0 GIADRO Cn1cc([C@H]([NH2+]C[C@H](O)c2ccc3ccccc3c2)c2cccc(F)c2)cn1 ZINC000180508942 822693573 /nfs/dbraw/zinc/69/35/73/822693573.db2.gz NEJDIAMSPMXVIF-XZOQPEGZSA-N 1 0 375.447 4.125 20 0 GIADRO O=C(Nc1ccc([C@H]2CCOC2)cc1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000455660513 822693861 /nfs/dbraw/zinc/69/38/61/822693861.db2.gz HZNLGCZEVUJICA-NRFANRHFSA-N 1 0 385.552 4.310 20 0 GIADRO Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)NNc3cc[nH+]cc3)cc12 ZINC000180510565 822694012 /nfs/dbraw/zinc/69/40/12/822694012.db2.gz JMLAOJWIYLCJDE-UHFFFAOYSA-N 1 0 397.891 4.260 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc([C@@H]2CCOC2)cc1)c1ccsc1 ZINC000455661227 822694135 /nfs/dbraw/zinc/69/41/35/822694135.db2.gz JFCXFHSMBFYWPQ-YLJYHZDGSA-N 1 0 387.549 4.457 20 0 GIADRO C[C@@H](NC(=O)NC[C@H](c1ccsc1)[NH+](C)C)c1cccc(OC(F)F)c1 ZINC000049195073 822694807 /nfs/dbraw/zinc/69/48/07/822694807.db2.gz VQLNNRCNCZYBKQ-MLGOLLRUSA-N 1 0 383.464 4.013 20 0 GIADRO Cc1nnc(-c2cccc(NC(=O)C3(C)CC[NH+](Cc4ccccc4)CC3)c2)o1 ZINC000184821355 822695589 /nfs/dbraw/zinc/69/55/89/822695589.db2.gz VIEILFHMYZOGEF-UHFFFAOYSA-N 1 0 390.487 4.286 20 0 GIADRO COc1cccc(F)c1[C@H](C)NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000184821636 822695659 /nfs/dbraw/zinc/69/56/59/822695659.db2.gz FSXCCEBMZMGNJZ-KRWDZBQOSA-N 1 0 384.495 4.314 20 0 GIADRO CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccnn1CC[NH+](C)C ZINC000455667007 822695701 /nfs/dbraw/zinc/69/57/01/822695701.db2.gz JCNDMGQCYYSQQV-UHFFFAOYSA-N 1 0 398.338 4.194 20 0 GIADRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)Nc1ccc(N(C(C)=O)C2CC2)cc1)c1ccco1 ZINC000455668539 822696209 /nfs/dbraw/zinc/69/62/09/822696209.db2.gz VCPJFIXLZGGNJT-QRWLVFNGSA-N 1 0 398.507 4.046 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(OCC(F)F)c1)c1ccc(N2CCOC2=O)cc1 ZINC000180527308 822696488 /nfs/dbraw/zinc/69/64/88/822696488.db2.gz XPIUQYUEZGRUSQ-CQSZACIVSA-N 1 0 376.403 4.138 20 0 GIADRO COc1cc([C@H](C)[NH2+]Cc2cccc(OCC(F)F)c2)cc(OC)c1OC ZINC000180528882 822696677 /nfs/dbraw/zinc/69/66/77/822696677.db2.gz SDHUDWFDYPMAEA-ZDUSSCGKSA-N 1 0 381.419 4.207 20 0 GIADRO C[NH+](C)C1(CN[C@H](c2ccccc2Cl)c2cc(F)ccc2F)CCOCC1 ZINC000180542825 822699164 /nfs/dbraw/zinc/69/91/64/822699164.db2.gz RSBIXAFSMIZMRX-HXUWFJFHSA-N 1 0 394.893 4.408 20 0 GIADRO Cc1cc(Br)c(F)cc1NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000184845880 822699586 /nfs/dbraw/zinc/69/95/86/822699586.db2.gz UTRWEVUCXHNTJP-UHFFFAOYSA-N 1 0 386.309 4.281 20 0 GIADRO Cc1c(Br)scc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000184847678 822699818 /nfs/dbraw/zinc/69/98/18/822699818.db2.gz JZUNEMIAUQDSNI-UHFFFAOYSA-N 1 0 393.350 4.213 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2Br)c1ccc(-n2cncn2)cc1 ZINC000180562394 822703118 /nfs/dbraw/zinc/70/31/18/822703118.db2.gz OLPXMIRGVZNDGW-BFUOFWGJSA-N 1 0 383.293 4.368 20 0 GIADRO CS[C@@H]1CCC[C@@H]([NH2+][C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)C1 ZINC000180567500 822703784 /nfs/dbraw/zinc/70/37/84/822703784.db2.gz WEBAPJLKXCJPKJ-SBHAEUEKSA-N 1 0 389.586 4.443 20 0 GIADRO O[C@@H](C[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1)COCc1cccs1 ZINC000180569017 822703934 /nfs/dbraw/zinc/70/39/34/822703934.db2.gz QPZCHEHOXGATFS-HOCLYGCPSA-N 1 0 377.403 4.048 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)c1ccc2c(c1)OCCO2 ZINC000184875183 822705129 /nfs/dbraw/zinc/70/51/29/822705129.db2.gz IXVCCOUWWPZLRS-NEPJUHHUSA-N 1 0 378.266 4.338 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCO2)c1ccc(Br)cc1O ZINC000184875492 822705418 /nfs/dbraw/zinc/70/54/18/822705418.db2.gz YUSHJHRYEFDOCT-NWDGAFQWSA-N 1 0 378.266 4.338 20 0 GIADRO CC(=O)N(c1ccc(NC(=O)N(C)CC[NH+](C(C)C)C(C)C)cc1)[C@H]1C[C@@H]1C ZINC000455697633 822705445 /nfs/dbraw/zinc/70/54/45/822705445.db2.gz JMADQEHUDXVLJC-UWJYYQICSA-N 1 0 388.556 4.030 20 0 GIADRO Cc1ccc(F)c(Br)c1NC(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000455700214 822706121 /nfs/dbraw/zinc/70/61/21/822706121.db2.gz VBLRGNWQSFKBND-GFCCVEGCSA-N 1 0 398.320 4.235 20 0 GIADRO CN1C[C@@H]([NH2+][C@H](c2ccc(Cl)cc2)c2ccc(OC(F)F)cc2)CCC1=O ZINC000180586408 822706613 /nfs/dbraw/zinc/70/66/13/822706613.db2.gz LQWSUPKAZWESSC-QFBILLFUSA-N 1 0 394.849 4.241 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)N(C)[C@H](C)c3ccc(F)cc3)c2)CC1 ZINC000184890106 822708031 /nfs/dbraw/zinc/70/80/31/822708031.db2.gz HHYKAFQUVOBHHY-QGZVFWFLSA-N 1 0 384.499 4.193 20 0 GIADRO CCCCC1CCC(C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)CC1 ZINC000049770569 822708802 /nfs/dbraw/zinc/70/88/02/822708802.db2.gz YYEHMLJJOQQITM-UHFFFAOYSA-N 1 0 399.579 4.319 20 0 GIADRO Cn1cc(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c(C2CCCCC2)n1 ZINC000455707909 822708866 /nfs/dbraw/zinc/70/88/66/822708866.db2.gz FYKXZOCOCIHNPR-IBGZPJMESA-N 1 0 399.539 4.410 20 0 GIADRO C[C@H]([NH2+]CCOCC(F)(F)F)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000180601148 822709049 /nfs/dbraw/zinc/70/90/49/822709049.db2.gz VXPFSIAQZKMJHS-ZDUSSCGKSA-N 1 0 384.373 4.308 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2ccccc2OCCF)C1 ZINC000455709529 822709211 /nfs/dbraw/zinc/70/92/11/822709211.db2.gz CJPFVERYFDOMHQ-MSOLQXFVSA-N 1 0 377.504 4.153 20 0 GIADRO COc1cccc(C[NH2+][C@@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)n1 ZINC000180601831 822709299 /nfs/dbraw/zinc/70/92/99/822709299.db2.gz MICDQURDDCYLOU-HNNXBMFYSA-N 1 0 379.435 4.332 20 0 GIADRO CC(C)(C)OC(=O)N1CCC(CC[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)CC1 ZINC000180602279 822709312 /nfs/dbraw/zinc/70/93/12/822709312.db2.gz HCOTUXYFGZPJIZ-MOPGFXCFSA-N 1 0 392.540 4.205 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)Nc2cn(C)nc2C2CCCCC2)c1 ZINC000455709708 822709508 /nfs/dbraw/zinc/70/95/08/822709508.db2.gz IACNSQCOQIPDLK-UHFFFAOYSA-N 1 0 383.540 4.241 20 0 GIADRO CCCN(CC[NH+]1CCCCC1)C(=O)Nc1cn(C)nc1C1CCCCC1 ZINC000455711155 822709847 /nfs/dbraw/zinc/70/98/47/822709847.db2.gz AXPWYADOWKKMEQ-UHFFFAOYSA-N 1 0 375.561 4.198 20 0 GIADRO Cc1nc(C(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)c(-c2ccccc2)o1 ZINC000184900849 822710087 /nfs/dbraw/zinc/71/00/87/822710087.db2.gz GGKAQQAFRHBDMY-UHFFFAOYSA-N 1 0 399.878 4.496 20 0 GIADRO CC(C)CC[NH+]1CCC(CNC(=O)Nc2cn(C)nc2C2CCCCC2)CC1 ZINC000455714999 822711154 /nfs/dbraw/zinc/71/11/54/822711154.db2.gz GHFOGXMLRPYKTH-UHFFFAOYSA-N 1 0 389.588 4.347 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)N3CCC[C@@H]3c3cccs3)c2)CC1 ZINC000184911627 822711990 /nfs/dbraw/zinc/71/19/90/822711990.db2.gz XKJXSOOJCRLERP-LJQANCHMSA-N 1 0 384.549 4.259 20 0 GIADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)Nc2cn(C)nc2C2CCCCC2)C1 ZINC000455719267 822712870 /nfs/dbraw/zinc/71/28/70/822712870.db2.gz SYUCEORWJBHZLX-QGZVFWFLSA-N 1 0 375.561 4.101 20 0 GIADRO O=C(CN1CC[NH+](CC2CCCCC2)CC1)Nc1c(Cl)cccc1Cl ZINC000049981764 822713185 /nfs/dbraw/zinc/71/31/85/822713185.db2.gz LDSXGTMXLFVONC-UHFFFAOYSA-N 1 0 384.351 4.130 20 0 GIADRO CC[N@H+](CCC1CCN(C(=O)Nc2ccccc2OCCF)CC1)CC1CC1 ZINC000455720984 822713244 /nfs/dbraw/zinc/71/32/44/822713244.db2.gz HIZPSLHZEWBTGH-UHFFFAOYSA-N 1 0 391.531 4.401 20 0 GIADRO CC[C@@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)c1ccc(Cl)cc1 ZINC000184922236 822713537 /nfs/dbraw/zinc/71/35/37/822713537.db2.gz CRVQMFKJCBELSF-LJQANCHMSA-N 1 0 378.925 4.121 20 0 GIADRO Cc1ccc(-c2nc(C)c(C(=O)N3CCC(C[N@@H+](C)C(C)C)CC3)s2)o1 ZINC000050009787 822714017 /nfs/dbraw/zinc/71/40/17/822714017.db2.gz YRPCGNYEAQHTBA-UHFFFAOYSA-N 1 0 375.538 4.212 20 0 GIADRO C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000184925078 822714040 /nfs/dbraw/zinc/71/40/40/822714040.db2.gz XKUAIZLKYSTDEC-QFBILLFUSA-N 1 0 376.928 4.026 20 0 GIADRO COC(=O)CC[C@@H]([NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC000180620971 822714298 /nfs/dbraw/zinc/71/42/98/822714298.db2.gz VZRQSHWAJAHHAO-CTWPCTMYSA-N 1 0 390.524 4.106 20 0 GIADRO COCc1ccccc1C[NH2+][C@H]1CCCC[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000184925658 822714251 /nfs/dbraw/zinc/71/42/51/822714251.db2.gz SUMZMSCCJNJAHH-VXKWHMMOSA-N 1 0 387.545 4.016 20 0 GIADRO C[C@H](C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cn(C)c2ccccc12 ZINC000184927350 822714428 /nfs/dbraw/zinc/71/44/28/822714428.db2.gz MFXVIHYAVSQNOI-UWJYYQICSA-N 1 0 379.504 4.218 20 0 GIADRO C[C@@H](C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cn(C)c2ccccc12 ZINC000184927371 822714447 /nfs/dbraw/zinc/71/44/47/822714447.db2.gz MFXVIHYAVSQNOI-UTKZUKDTSA-N 1 0 379.504 4.218 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)Nc1ccc2c(c1)CCCC2=O ZINC000455725469 822714603 /nfs/dbraw/zinc/71/46/03/822714603.db2.gz BYNXYWIWFQRYOW-LJQANCHMSA-N 1 0 381.476 4.147 20 0 GIADRO CCC(=O)Nc1ccc(C)c(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000050032316 822715278 /nfs/dbraw/zinc/71/52/78/822715278.db2.gz UASYXSPAEZMGSB-IBGZPJMESA-N 1 0 379.504 4.194 20 0 GIADRO O=C(Nc1nc(CC(F)(F)F)cs1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000455728240 822715492 /nfs/dbraw/zinc/71/54/92/822715492.db2.gz QUNYUKIUJFOSNU-UHFFFAOYSA-N 1 0 390.475 4.024 20 0 GIADRO CC(C)Oc1ccc([C@H](CNC(=O)Nc2ccc3c(c2)CCC3=O)[NH+](C)C)cc1 ZINC000455729816 822715658 /nfs/dbraw/zinc/71/56/58/822715658.db2.gz IJXACXHCABQUQU-NRFANRHFSA-N 1 0 395.503 4.027 20 0 GIADRO CCCOc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1OCC ZINC000050040825 822715789 /nfs/dbraw/zinc/71/57/89/822715789.db2.gz KPLSPNTWHCJNRO-SFHVURJKSA-N 1 0 386.492 4.034 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2c(C)ccc(F)c2Br)[C@H](C)C1 ZINC000455744252 822718411 /nfs/dbraw/zinc/71/84/11/822718411.db2.gz DUSSYLHHZVIZEI-OCCSQVGLSA-N 1 0 386.309 4.091 20 0 GIADRO COc1ccc(C[N@H+](C)C[C@H](O)c2ccc(F)cc2Cl)cc1OC(F)F ZINC000184959344 822718527 /nfs/dbraw/zinc/71/85/27/822718527.db2.gz VSEOOWHRPVSPAP-HNNXBMFYSA-N 1 0 389.801 4.255 20 0 GIADRO C[C@H](C(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1cn(C)c2ccccc12 ZINC000184959742 822718590 /nfs/dbraw/zinc/71/85/90/822718590.db2.gz LBZAEDNKLQMEHY-IBGZPJMESA-N 1 0 389.543 4.105 20 0 GIADRO Cc1ccc(F)c(Br)c1NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000455745720 822718566 /nfs/dbraw/zinc/71/85/66/822718566.db2.gz GVFMDUAQTYVMEA-CYBMUJFWSA-N 1 0 386.309 4.235 20 0 GIADRO COc1ccc(CCCN(C)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000050100364 822718591 /nfs/dbraw/zinc/71/85/91/822718591.db2.gz PIQTTZXILQUKDY-UHFFFAOYSA-N 1 0 395.547 4.065 20 0 GIADRO C[C@H]([NH2+]CC[C@@H]1CCOC1=O)c1nc(-c2ccc(Br)cc2)cs1 ZINC000184960027 822718717 /nfs/dbraw/zinc/71/87/17/822718717.db2.gz TWMNUDMVJXOBES-WCQYABFASA-N 1 0 395.322 4.176 20 0 GIADRO CSc1cccc(C)c1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000184967359 822719467 /nfs/dbraw/zinc/71/94/67/822719467.db2.gz ABBHWPNLJVHERO-FUHWJXTLSA-N 1 0 384.549 4.144 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)Nc2c(C)ccc(F)c2Br)CC1 ZINC000455750810 822719612 /nfs/dbraw/zinc/71/96/12/822719612.db2.gz MENUVFUNZJDCQQ-UHFFFAOYSA-N 1 0 386.309 4.140 20 0 GIADRO CSc1cccc(C)c1NC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000184967377 822719677 /nfs/dbraw/zinc/71/96/77/822719677.db2.gz ABBHWPNLJVHERO-WMZOPIPTSA-N 1 0 384.549 4.144 20 0 GIADRO CCOc1ccc(Cl)c(NC(=O)NCc2ccc(C[NH+](C)C)c(F)c2)c1 ZINC000455757132 822720656 /nfs/dbraw/zinc/72/06/56/822720656.db2.gz ONZGLRPHVJQJJU-UHFFFAOYSA-N 1 0 379.863 4.261 20 0 GIADRO C[C@@H]([NH2+]C[C@@H]1CCN(c2ccccc2)C1)c1cc(Br)ccc1O ZINC000184998032 822723624 /nfs/dbraw/zinc/72/36/24/822723624.db2.gz RNLYCQOTXCFKTF-CABCVRRESA-N 1 0 375.310 4.332 20 0 GIADRO O=C(CCCOc1ccccc1Cl)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000050290842 822723838 /nfs/dbraw/zinc/72/38/38/822723838.db2.gz VTEWADVNZPERDN-KRWDZBQOSA-N 1 0 376.884 4.045 20 0 GIADRO COc1cccc(CN(CC[NH+](C)C)C(=O)Nc2ccccc2C(C)(F)F)c1 ZINC000455773533 822723870 /nfs/dbraw/zinc/72/38/70/822723870.db2.gz POJGRVMGHJFXKS-UHFFFAOYSA-N 1 0 391.462 4.403 20 0 GIADRO CCOc1ccc(Cl)c(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000455787511 822726631 /nfs/dbraw/zinc/72/66/31/822726631.db2.gz YTMHGQLFMCHRLA-LIRRHRJNSA-N 1 0 377.916 4.219 20 0 GIADRO CCC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3C[C@H]3c3cccnc3)cc2Cl)CC1 ZINC000050342969 822726799 /nfs/dbraw/zinc/72/67/99/822726799.db2.gz WSWZWNHOXHKXHC-RBUKOAKNSA-N 1 0 398.938 4.009 20 0 GIADRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2sccc2Br)ccc1OC ZINC000185034988 822727686 /nfs/dbraw/zinc/72/76/86/822727686.db2.gz ZTJFUSCSXSHYQC-ZDUSSCGKSA-N 1 0 395.322 4.490 20 0 GIADRO CC[C@@H](C)n1c2ccc(NC(=O)N3CC[C@@H]([NH+](C)C)C3)cc2nc1C(F)(F)F ZINC000455797821 822728517 /nfs/dbraw/zinc/72/85/17/822728517.db2.gz RARZVRLUCYSEBE-TZMCWYRMSA-N 1 0 397.445 4.194 20 0 GIADRO CN(CC[N@H+](C)C1CC1)C(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000185052241 822729611 /nfs/dbraw/zinc/72/96/11/822729611.db2.gz CRLZLYUGDNRSAC-NRFANRHFSA-N 1 0 390.531 4.035 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)Nc2cc(Br)cnc2C)CC1 ZINC000455812992 822730984 /nfs/dbraw/zinc/73/09/84/822730984.db2.gz YGAFHWGPODWJIS-UHFFFAOYSA-N 1 0 397.361 4.128 20 0 GIADRO CCCn1ncc(NC(=O)N(CC[NH+](C)C)Cc2cccc(C)c2)c1C1CC1 ZINC000455821097 822732045 /nfs/dbraw/zinc/73/20/45/822732045.db2.gz COHAOUAHFSOARP-UHFFFAOYSA-N 1 0 383.540 4.075 20 0 GIADRO CCCn1ncc(NC(=O)NC[C@H](c2ccccc2)[NH+](CC)CC)c1C1CC1 ZINC000455824256 822732559 /nfs/dbraw/zinc/73/25/59/822732559.db2.gz HAVNYMYEBIAEQM-HXUWFJFHSA-N 1 0 383.540 4.375 20 0 GIADRO CC[C@@H](C)Oc1cc(CNC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)ccn1 ZINC000455835340 822733925 /nfs/dbraw/zinc/73/39/25/822733925.db2.gz AHMWHUKETWQUGN-FOIQADDNSA-N 1 0 382.508 4.130 20 0 GIADRO CCn1ccnc1[C@H]1CCCCN1C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455837566 822734600 /nfs/dbraw/zinc/73/46/00/822734600.db2.gz BKUZCVZKBCEWNS-WOJBJXKFSA-N 1 0 381.524 4.211 20 0 GIADRO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2ccc(Br)cc2O)cn1 ZINC000185085476 822734790 /nfs/dbraw/zinc/73/47/90/822734790.db2.gz OFWXXPPFDPCVNG-ZDUSSCGKSA-N 1 0 378.314 4.247 20 0 GIADRO C[C@H](NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)[C@H]1OCCc2sccc21 ZINC000455841802 822735409 /nfs/dbraw/zinc/73/54/09/822735409.db2.gz FJEDTRRTOYUHTH-YHJVDBJQSA-N 1 0 385.533 4.121 20 0 GIADRO C[C@H](NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)[C@@H]1OCCc2sccc21 ZINC000455841798 822735421 /nfs/dbraw/zinc/73/54/21/822735421.db2.gz FJEDTRRTOYUHTH-GMVOTWDCSA-N 1 0 385.533 4.121 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CCC(F)(c4cccnc4)CC3)ccc21 ZINC000455845574 822736019 /nfs/dbraw/zinc/73/60/19/822736019.db2.gz HRBZGQIEBLAYKV-FQEVSTJZSA-N 1 0 382.483 4.123 20 0 GIADRO COC[C@@H](NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)c1ccc(Cl)cc1 ZINC000455845579 822736022 /nfs/dbraw/zinc/73/60/22/822736022.db2.gz HRJJCFWVWRNKKF-WOJBJXKFSA-N 1 0 387.911 4.398 20 0 GIADRO C[C@H]1CN(c2cccc(F)c2)CCN1C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455847796 822736335 /nfs/dbraw/zinc/73/63/35/822736335.db2.gz JFGUJZDTZVTJQQ-AOMKIAJQSA-N 1 0 396.510 4.117 20 0 GIADRO CC[C@@H]([NH2+]C[C@@H](O)COc1ccc(Oc2ccccc2)cc1)c1nccs1 ZINC000185095135 822736452 /nfs/dbraw/zinc/73/64/52/822736452.db2.gz FABLDVMVRGKJGG-OXQOHEQNSA-N 1 0 384.501 4.416 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)NCc3ccc(OC(F)F)cc3)ccc21 ZINC000455854955 822737681 /nfs/dbraw/zinc/73/76/81/822737681.db2.gz HBYWPDPVUZOIBB-SFHVURJKSA-N 1 0 375.419 4.159 20 0 GIADRO COC[C@@H](NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)c1ccc(F)c(F)c1 ZINC000455854533 822737711 /nfs/dbraw/zinc/73/77/11/822737711.db2.gz MZMBZYYXDFVBCM-WOJBJXKFSA-N 1 0 389.446 4.023 20 0 GIADRO COC[C@H](NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)c1cccc(Cl)c1 ZINC000455858282 822738311 /nfs/dbraw/zinc/73/83/11/822738311.db2.gz PGSYMOYUVMYXSF-VQTJNVASSA-N 1 0 387.911 4.398 20 0 GIADRO C[C@H](CCO)N(Cc1ccccc1)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455859021 822738381 /nfs/dbraw/zinc/73/83/81/822738381.db2.gz PMYCZVOXTHQDND-VGOFRKELSA-N 1 0 381.520 4.041 20 0 GIADRO CCc1ccc([C@@H]2CN(C(=O)Nc3ccc4c(c3)CC[C@H]4[NH+](C)C)CCO2)cc1 ZINC000455859789 822738526 /nfs/dbraw/zinc/73/85/26/822738526.db2.gz PYAOKNFAETVMHZ-PKTZIBPZSA-N 1 0 393.531 4.403 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N[C@@H]3C[C@H]3c3cc(F)c(F)c(F)c3)ccc21 ZINC000455862404 822738841 /nfs/dbraw/zinc/73/88/41/822738841.db2.gz ROPWQYQRGBGHCP-IPELMVKDSA-N 1 0 389.421 4.330 20 0 GIADRO CCSCc1ccc(NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000455862959 822739111 /nfs/dbraw/zinc/73/91/11/822739111.db2.gz PFFYIKCXRHGAOG-UHFFFAOYSA-N 1 0 384.549 4.121 20 0 GIADRO CC[C@](C)(O)CN(Cc1ccccc1)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455863808 822739226 /nfs/dbraw/zinc/73/92/26/822739226.db2.gz SITPUFRRQHBXLX-VWNXMTODSA-N 1 0 395.547 4.431 20 0 GIADRO Cc1csc([C@H](NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C(F)(F)F)n1 ZINC000455865914 822739404 /nfs/dbraw/zinc/73/94/04/822739404.db2.gz UQIQOAFTLUHHNA-CABCVRRESA-N 1 0 398.454 4.426 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CC[C@@](F)(c4ccccc4F)C3)ccc21 ZINC000455869912 822740150 /nfs/dbraw/zinc/74/01/50/822740150.db2.gz WUIVWWATSXQUJR-IRLDBZIGSA-N 1 0 385.458 4.477 20 0 GIADRO CN(CCCOCc1ccccc1)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455871714 822740532 /nfs/dbraw/zinc/74/05/32/822740532.db2.gz YKLKTSKZPSIUTL-QFIPXVFZSA-N 1 0 381.520 4.306 20 0 GIADRO CC(C)c1nc([C@H]2CCCN(C(=O)Nc3ccc4c(c3)CC[C@H]4[NH+](C)C)C2)no1 ZINC000455873794 822740749 /nfs/dbraw/zinc/74/07/49/822740749.db2.gz ABWLWHPTUPRPJI-QFBILLFUSA-N 1 0 397.523 4.153 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)Nc3ccc(NC4CCOCC4)cc3)ccc21 ZINC000455873777 822740767 /nfs/dbraw/zinc/74/07/67/822740767.db2.gz ABTXMGJPHKWLQQ-QFIPXVFZSA-N 1 0 394.519 4.470 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1cc2c(cc1O)CCCC2 ZINC000185131908 822740906 /nfs/dbraw/zinc/74/09/06/822740906.db2.gz FSFVBQMCWHOBKD-MWTRTKDXSA-N 1 0 394.515 4.239 20 0 GIADRO CCN(Cc1ccc2c(c1)OCO2)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455876344 822741047 /nfs/dbraw/zinc/74/10/47/822741047.db2.gz NUTWLUBSZGUMBB-IBGZPJMESA-N 1 0 381.476 4.018 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)Nc2ccc3c(n2)CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000455884129 822742202 /nfs/dbraw/zinc/74/22/02/822742202.db2.gz MLMUHTTUDVPWBX-FXAWDEMLSA-N 1 0 378.520 4.087 20 0 GIADRO COc1cccc([C@@H](CNC(=O)Nc2scnc2C(C)C)[NH+]2CCCC2)c1 ZINC000455888547 822742882 /nfs/dbraw/zinc/74/28/82/822742882.db2.gz GLHABWKYEGOIIE-QGZVFWFLSA-N 1 0 388.537 4.234 20 0 GIADRO Cc1nc(NC(=O)N2CCC[C@@H]([NH+](C)C)CC2)sc1Cc1cccc(F)c1 ZINC000455890113 822743045 /nfs/dbraw/zinc/74/30/45/822743045.db2.gz KQDWEYMTAAXHNX-QGZVFWFLSA-N 1 0 390.528 4.129 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)Nc1scnc1C(C)C)[NH+]1CCCC1 ZINC000455892102 822743379 /nfs/dbraw/zinc/74/33/79/822743379.db2.gz JTAAJCJALOEAOL-INIZCTEOSA-N 1 0 388.537 4.234 20 0 GIADRO COc1ccc2c(C[N@@H+](Cc3cccc(F)c3)C[C@H]3CCCO3)cc(=O)oc2c1 ZINC000050963887 822743434 /nfs/dbraw/zinc/74/34/34/822743434.db2.gz AIVLAMDXPLJLOS-HXUWFJFHSA-N 1 0 397.446 4.122 20 0 GIADRO CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000050961111 822743475 /nfs/dbraw/zinc/74/34/75/822743475.db2.gz IYDRRPIVAGZFSI-HXUWFJFHSA-N 1 0 397.519 4.150 20 0 GIADRO C[N@H+](CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1)C(C1CC1)C1CC1 ZINC000050989604 822743807 /nfs/dbraw/zinc/74/38/07/822743807.db2.gz XRXQGXJDFDRVNO-KRWDZBQOSA-N 1 0 383.517 4.139 20 0 GIADRO CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455896904 822744347 /nfs/dbraw/zinc/74/43/47/822744347.db2.gz DISAQNGJZZRGHI-WVFSVQOHSA-N 1 0 385.483 4.272 20 0 GIADRO COc1ccc(CCCNC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)cc1OC ZINC000455897855 822744392 /nfs/dbraw/zinc/74/43/92/822744392.db2.gz DSZQLZHGVHMPNG-HXUWFJFHSA-N 1 0 397.519 4.007 20 0 GIADRO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000051049314 822744926 /nfs/dbraw/zinc/74/49/26/822744926.db2.gz HAGONGMPAPOWOT-DENIHFKCSA-N 1 0 395.547 4.177 20 0 GIADRO COc1ccc(C[N@@H+]2CCCN(C(=O)Nc3scnc3C(C)C)CC2)cc1 ZINC000455901585 822745075 /nfs/dbraw/zinc/74/50/75/822745075.db2.gz SWPDUWRXBKDKRW-UHFFFAOYSA-N 1 0 388.537 4.015 20 0 GIADRO Cc1ncsc1C(=O)NC1CC[NH+]([C@@H](C)c2ccc(OC(F)F)cc2)CC1 ZINC000051099241 822746386 /nfs/dbraw/zinc/74/63/86/822746386.db2.gz XRTPETDAFPRWJG-ZDUSSCGKSA-N 1 0 395.475 4.008 20 0 GIADRO CC[C@@H]1c2ccsc2CC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000185184852 822746638 /nfs/dbraw/zinc/74/66/38/822746638.db2.gz JKBCAZPEKMWZDC-MRXNPFEDSA-N 1 0 377.441 4.133 20 0 GIADRO COc1ccc(OC)c([C@H](O)C[N@@H+]2CCC[C@H](c3nc4ccccc4s3)C2)c1 ZINC000051124252 822746849 /nfs/dbraw/zinc/74/68/49/822746849.db2.gz XOZMGYOZEGNJKC-HNAYVOBHSA-N 1 0 398.528 4.227 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)NCc3ccccc3Br)ccc21 ZINC000455909050 822746893 /nfs/dbraw/zinc/74/68/93/822746893.db2.gz IJTJZRUFGUWZNP-SFHVURJKSA-N 1 0 388.309 4.320 20 0 GIADRO C[N@@H+](CC(=O)NC1(c2ccccc2)CCC1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132171 822747004 /nfs/dbraw/zinc/74/70/04/822747004.db2.gz FBYLMADXFNMXOA-ZJSXRUAMSA-N 1 0 392.543 4.282 20 0 GIADRO C[C@H](C(=O)Nc1cccnc1Cl)[N@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132762 822747208 /nfs/dbraw/zinc/74/72/08/822747208.db2.gz MCNODRWFLZIUNJ-HHXXYDBFSA-N 1 0 387.911 4.162 20 0 GIADRO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133163 822747533 /nfs/dbraw/zinc/74/75/33/822747533.db2.gz OPNIYTGWGLKGOR-WNOPAQSVSA-N 1 0 380.532 4.306 20 0 GIADRO C[N@@H+](CC(=O)NC12CC3CC(CC(C3)C1)C2)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133456 822747580 /nfs/dbraw/zinc/74/75/80/822747580.db2.gz YWRCMOUQCBJENX-JRCIZXHSSA-N 1 0 396.575 4.171 20 0 GIADRO CN(C)c1ccncc1C[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000185199199 822748520 /nfs/dbraw/zinc/74/85/20/822748520.db2.gz VATAJULHRBYCJX-UHFFFAOYSA-N 1 0 393.362 4.209 20 0 GIADRO CCOc1cc(C[NH2+]C2(c3ccccc3)CCC2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000051188670 822749887 /nfs/dbraw/zinc/74/98/87/822749887.db2.gz PLOLFRAFMSCPMH-SFHVURJKSA-N 1 0 396.531 4.110 20 0 GIADRO O=C(C[NH2+]C(c1ccccc1)c1ccccc1)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000051213853 822750735 /nfs/dbraw/zinc/75/07/35/822750735.db2.gz BRLWGVQRIRZIBA-NRFANRHFSA-N 1 0 399.538 4.008 20 0 GIADRO CCCOc1ccc(CNC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)cc1OC ZINC000455929041 822751276 /nfs/dbraw/zinc/75/12/76/822751276.db2.gz OFERPOOCLPZXKP-FQEVSTJZSA-N 1 0 397.519 4.355 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CCC[C@H](Nc4ccccc4)C3)ccc21 ZINC000455929985 822751546 /nfs/dbraw/zinc/75/15/46/822751546.db2.gz OOYAQNSAAOVBPY-UNMCSNQZSA-N 1 0 378.520 4.344 20 0 GIADRO COCCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CCCCC1 ZINC000185225863 822751594 /nfs/dbraw/zinc/75/15/94/822751594.db2.gz OHPLAVYVGRCNKE-YQQQUEKLSA-N 1 0 380.573 4.494 20 0 GIADRO C[C@@H]1CC[C@@H](N(C)C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)C1 ZINC000455934746 822752608 /nfs/dbraw/zinc/75/26/08/822752608.db2.gz ACWRAMJFFGHTGV-GDBMZVCRSA-N 1 0 379.932 4.465 20 0 GIADRO CCN(CC1CCC1)C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000455935611 822752832 /nfs/dbraw/zinc/75/28/32/822752832.db2.gz BMYFBMUCQDNUTD-UHFFFAOYSA-N 1 0 379.932 4.467 20 0 GIADRO CCC(CC)(CNC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1)OC ZINC000455936200 822752980 /nfs/dbraw/zinc/75/29/80/822752980.db2.gz CHJSMGQTBSZKRB-UHFFFAOYSA-N 1 0 397.947 4.140 20 0 GIADRO COc1ccc(C[C@@H](C)C[N@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1F ZINC000185237036 822753003 /nfs/dbraw/zinc/75/30/03/822753003.db2.gz WWTWGZRAOPKMKN-CVEARBPZSA-N 1 0 393.524 4.109 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)N2CCCC23CCC3)CC1 ZINC000455939036 822753481 /nfs/dbraw/zinc/75/34/81/822753481.db2.gz GQGULOOGWXDBJW-UHFFFAOYSA-N 1 0 377.916 4.363 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)N2CC(C)(C)[C@H]2C2CC2)CC1 ZINC000455939752 822753636 /nfs/dbraw/zinc/75/36/36/822753636.db2.gz HFARCLYXRUTTIK-LJQANCHMSA-N 1 0 391.943 4.465 20 0 GIADRO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000051286245 822754374 /nfs/dbraw/zinc/75/43/74/822754374.db2.gz MFBNQWVQLKOVLC-LIRRHRJNSA-N 1 0 390.409 4.013 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCO[C@@H](c4ccccc4Cl)C3)ccc21 ZINC000455943576 822754776 /nfs/dbraw/zinc/75/47/76/822754776.db2.gz VHFWLXFRLRWREI-NHCUHLMSSA-N 1 0 399.922 4.494 20 0 GIADRO CC[C@@]1(C)CCN(C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)C1 ZINC000455946347 822755696 /nfs/dbraw/zinc/75/56/96/822755696.db2.gz PVQZNPYZRFJZBT-FQEVSTJZSA-N 1 0 379.932 4.467 20 0 GIADRO CCOc1cc(C[N@H+](C)C[C@@H](O)c2ccc(F)c(F)c2)ccc1OC(F)F ZINC000051323817 822756037 /nfs/dbraw/zinc/75/60/37/822756037.db2.gz XZOYGZGTIBGICH-MRXNPFEDSA-N 1 0 387.373 4.130 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)N2C[C@@H]3CCC[C@H]3C2)CC1 ZINC000455948640 822756197 /nfs/dbraw/zinc/75/61/97/822756197.db2.gz UKBYVDWECYWLAV-GJZGRUSLSA-N 1 0 377.916 4.077 20 0 GIADRO O=[N+]([O-])c1ccc(CNc2ccccc2C[NH+]2CCSCC2)cc1Cl ZINC000185261949 822756232 /nfs/dbraw/zinc/75/62/32/822756232.db2.gz QJLJKWFUCIIPFC-UHFFFAOYSA-N 1 0 377.897 4.409 20 0 GIADRO CN(Cc1nc2c(s1)CCCC2)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455948892 822756434 /nfs/dbraw/zinc/75/64/34/822756434.db2.gz YOXLXORTHSHFRC-GOSISDBHSA-N 1 0 384.549 4.235 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCCCc3nc4c(s3)CCCC4)ccc21 ZINC000455950489 822756721 /nfs/dbraw/zinc/75/67/21/822756721.db2.gz ZLXPYFPTLXNGSO-LJQANCHMSA-N 1 0 398.576 4.325 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)N2CCC(CF)CC2)CC1 ZINC000455950098 822756739 /nfs/dbraw/zinc/75/67/39/822756739.db2.gz XGVHBPPNJBPMNI-UHFFFAOYSA-N 1 0 383.895 4.026 20 0 GIADRO Cc1ccc(OC(F)F)c(CNC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)c1 ZINC000455951045 822756876 /nfs/dbraw/zinc/75/68/76/822756876.db2.gz ZZTLPXKYPHLWEE-GOSISDBHSA-N 1 0 389.446 4.467 20 0 GIADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000455963629 822757931 /nfs/dbraw/zinc/75/79/31/822757931.db2.gz BFFGLFOASDKSMG-XHDPSFHLSA-N 1 0 386.721 4.193 20 0 GIADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000455963626 822757932 /nfs/dbraw/zinc/75/79/32/822757932.db2.gz BFFGLFOASDKSMG-IAQYHMDHSA-N 1 0 386.721 4.193 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H](C)c1cn(C)c2ccccc12 ZINC000185284004 822759542 /nfs/dbraw/zinc/75/95/42/822759542.db2.gz HBKAAPBFMGHBID-SFHVURJKSA-N 1 0 377.532 4.392 20 0 GIADRO CCC[C@H]([NH2+]CCCNC(=O)c1cccc(Br)c1)c1cccnc1 ZINC000185289999 822760388 /nfs/dbraw/zinc/76/03/88/822760388.db2.gz DPMMHTJHDRKVFS-SFHVURJKSA-N 1 0 390.325 4.095 20 0 GIADRO CCc1ccc([C@H]([NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)C(C)C)cc1 ZINC000185295288 822761066 /nfs/dbraw/zinc/76/10/66/822761066.db2.gz PHUNIZNAZOHJPS-JOCHJYFZSA-N 1 0 386.561 4.276 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)N(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)o1 ZINC000051467826 822761249 /nfs/dbraw/zinc/76/12/49/822761249.db2.gz CBVYHLNDLRCQKW-SIKLNZKXSA-N 1 0 384.520 4.361 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000174276617 822761540 /nfs/dbraw/zinc/76/15/40/822761540.db2.gz DGBFTOPIBGQHDG-KYJSFNMBSA-N 1 0 386.565 4.304 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1nc2ccccc2s1 ZINC000174279517 822761933 /nfs/dbraw/zinc/76/19/33/822761933.db2.gz HJKIMKNATMPUFW-QGZVFWFLSA-N 1 0 380.517 4.282 20 0 GIADRO C[C@H]([NH2+]C[C@@](C)(O)c1ccccc1Cl)c1ncc(Br)s1 ZINC000185300960 822762070 /nfs/dbraw/zinc/76/20/70/822762070.db2.gz SUNDKZJCPAYOGJ-LKFCYVNXSA-N 1 0 375.719 4.117 20 0 GIADRO CCSc1ccccc1[C@H](C)[NH2+]Cc1cccc(N2CCCS2(=O)=O)c1 ZINC000185300796 822762081 /nfs/dbraw/zinc/76/20/81/822762081.db2.gz BEUOHKIOWBPUMW-INIZCTEOSA-N 1 0 390.574 4.189 20 0 GIADRO CC(C)Cc1ccc([C@@H](C)[NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)cc1 ZINC000185300075 822762092 /nfs/dbraw/zinc/76/20/92/822762092.db2.gz HETVJEJUFMCAHP-GOSISDBHSA-N 1 0 386.561 4.276 20 0 GIADRO C[C@@H]([NH2+]C[C@@](C)(O)c1ccccc1Cl)c1ncc(Br)s1 ZINC000185300980 822762276 /nfs/dbraw/zinc/76/22/76/822762276.db2.gz SUNDKZJCPAYOGJ-YMTOWFKASA-N 1 0 375.719 4.117 20 0 GIADRO C[C@H](CCOc1ccccc1)C(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000174281186 822762374 /nfs/dbraw/zinc/76/23/74/822762374.db2.gz YZECHZLITBYVHL-GOSISDBHSA-N 1 0 381.520 4.236 20 0 GIADRO COCCCOc1cc(C)ccc1C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000185305469 822762643 /nfs/dbraw/zinc/76/26/43/822762643.db2.gz FLTCLXIOALIPGR-UHFFFAOYSA-N 1 0 378.856 4.262 20 0 GIADRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(COC3CCOCC3)cc2)cc1Cl ZINC000185307504 822763059 /nfs/dbraw/zinc/76/30/59/822763059.db2.gz YJXFYHOZRAWQFT-UHFFFAOYSA-N 1 0 390.867 4.234 20 0 GIADRO Cc1ccc(C(=O)NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c(C2CC2)n1 ZINC000455994136 822763303 /nfs/dbraw/zinc/76/33/03/822763303.db2.gz LRZQTXYHZAHEAV-UYAOXDASSA-N 1 0 377.532 4.298 20 0 GIADRO CCn1ncc2ccc(NC(=O)C3(C)CC[NH+](Cc4ccccc4)CC3)cc21 ZINC000185328739 822766724 /nfs/dbraw/zinc/76/67/24/822766724.db2.gz FGFYMEKCIKOJHO-UHFFFAOYSA-N 1 0 376.504 4.297 20 0 GIADRO Cc1cnc([C@H]([NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)C2CC2)s1 ZINC000185329788 822766873 /nfs/dbraw/zinc/76/68/73/822766873.db2.gz YKKCSRKLCWDTLG-XJKSGUPXSA-N 1 0 387.332 4.239 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)NC(c2ccc(F)cc2)c2ccc(F)cc2)CC[N@@H+]1C ZINC000174302312 822767439 /nfs/dbraw/zinc/76/74/39/822767439.db2.gz OBRLIFQOIOBTQM-MGPUTAFESA-N 1 0 387.474 4.178 20 0 GIADRO Cc1cnc([C@@H]([NH2+]CCCCCn2nnc(-c3ccccc3)n2)C2CC2)s1 ZINC000185344246 822768703 /nfs/dbraw/zinc/76/87/03/822768703.db2.gz OIXGLMWAIPQLLD-SFHVURJKSA-N 1 0 382.537 4.016 20 0 GIADRO O=[N+]([O-])c1c2cccnc2ccc1N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000051624791 822769281 /nfs/dbraw/zinc/76/92/81/822769281.db2.gz NZSKHAIKFNDNSQ-UHFFFAOYSA-N 1 0 399.454 4.013 20 0 GIADRO CC(=O)N1CC[C@H]([NH2+]Cc2ccc(OCC(C)C)cc2)c2ccc(F)cc2C1 ZINC000185349928 822769572 /nfs/dbraw/zinc/76/95/72/822769572.db2.gz SIHXUPHBBBZLKA-QHCPKHFHSA-N 1 0 384.495 4.444 20 0 GIADRO Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000174315203 822769709 /nfs/dbraw/zinc/76/97/09/822769709.db2.gz CCIHTTOCAKPDRR-SFHVURJKSA-N 1 0 393.531 4.324 20 0 GIADRO Cc1ccc(C(=O)NC[C@@H](c2ccc(OC(C)C)cc2)[NH+](C)C)c(C2CC2)n1 ZINC000456056938 822772264 /nfs/dbraw/zinc/77/22/64/822772264.db2.gz VEFHAXPBNGWQFF-NRFANRHFSA-N 1 0 381.520 4.087 20 0 GIADRO C[C@H](NC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)c1ccc(-c2ccncc2)cc1 ZINC000174340362 822774705 /nfs/dbraw/zinc/77/47/05/822774705.db2.gz IWBDSTKDUIBNLQ-CVDCTZTESA-N 1 0 392.547 4.470 20 0 GIADRO CC(C)c1ccc([C@H](C[NH2+]Cc2ccc(CO)o2)NC(=O)OC(C)(C)C)cc1 ZINC000174347208 822776080 /nfs/dbraw/zinc/77/60/80/822776080.db2.gz DYYNHNMALHOLHC-FQEVSTJZSA-N 1 0 388.508 4.251 20 0 GIADRO C[C@H](CCNC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000174361774 822777956 /nfs/dbraw/zinc/77/79/56/822777956.db2.gz UNJWVIUCPDYZBN-VKJFTORMSA-N 1 0 385.474 4.323 20 0 GIADRO CSc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000174367780 822779058 /nfs/dbraw/zinc/77/90/58/822779058.db2.gz SJMZSATZOUIFMY-JKSUJKDBSA-N 1 0 380.517 4.272 20 0 GIADRO CCCC[C@H]([NH2+][C@H](C)c1ccc(-n2cccn2)cc1)C(=O)Nc1cc(C)on1 ZINC000174369338 822779196 /nfs/dbraw/zinc/77/91/96/822779196.db2.gz GZBXPUUPNYXDBU-APWZRJJASA-N 1 0 381.480 4.017 20 0 GIADRO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000174370360 822779371 /nfs/dbraw/zinc/77/93/71/822779371.db2.gz YJSXXOMPKUERJA-GBESFXJTSA-N 1 0 376.504 4.097 20 0 GIADRO COc1ccccc1[C@@H]([NH2+]Cc1ccc(-n2cncn2)c(C)c1)c1ccccc1 ZINC000174371420 822779703 /nfs/dbraw/zinc/77/97/03/822779703.db2.gz HTNCEKUEHXCODZ-DEOSSOPVSA-N 1 0 384.483 4.464 20 0 GIADRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](Cc2ccccc2)C(=O)Nc2ccccc2)c1 ZINC000185410177 822780268 /nfs/dbraw/zinc/78/02/68/822780268.db2.gz UUTNVHWIBWJOSA-VGSWGCGISA-N 1 0 390.483 4.301 20 0 GIADRO Cc1cc(C[NH2+]C[C@H](O)c2ccc(-c3ccccc3)cc2)ccc1-n1cncn1 ZINC000185416845 822781285 /nfs/dbraw/zinc/78/12/85/822781285.db2.gz HSSOIMIMSMPBBR-DEOSSOPVSA-N 1 0 384.483 4.066 20 0 GIADRO Fc1ccc(C2([NH2+]Cc3ccc(OC[C@H]4CCCO4)cc3)CCOCC2)cc1 ZINC000174390161 822782509 /nfs/dbraw/zinc/78/25/09/822782509.db2.gz WMQQYSMGYVTXMA-JOCHJYFZSA-N 1 0 385.479 4.179 20 0 GIADRO CCOCc1ccc(CNC(=O)C[N@@H+]2CCC[C@H]2c2ccc(OCC)cc2)cc1 ZINC000051923765 822783053 /nfs/dbraw/zinc/78/30/53/822783053.db2.gz ZFGUCVAPZDXJBQ-QHCPKHFHSA-N 1 0 396.531 4.075 20 0 GIADRO Cc1cccc(C)c1NC(=O)CCC[NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000185434750 822783238 /nfs/dbraw/zinc/78/32/38/822783238.db2.gz NWLVYMFUHNABQD-QHCPKHFHSA-N 1 0 394.494 4.274 20 0 GIADRO CC(C)Oc1ccc2ccccc2c1CNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000185438628 822783877 /nfs/dbraw/zinc/78/38/77/822783877.db2.gz XRGJIGYEWCTZHG-UTKZUKDTSA-N 1 0 383.536 4.109 20 0 GIADRO C[C@H](NC(=O)CN1CCC([NH+]2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000052002157 822786417 /nfs/dbraw/zinc/78/64/17/822786417.db2.gz LBEIUGXVEDGXBL-HNNXBMFYSA-N 1 0 398.378 4.121 20 0 GIADRO COc1ccc(C[NH2+]Cc2ccc(N(C)C(=O)c3ccncc3)cc2)cc1Cl ZINC000174409470 822786445 /nfs/dbraw/zinc/78/64/45/822786445.db2.gz AFOIJYMGQHDTML-UHFFFAOYSA-N 1 0 395.890 4.310 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)c1ccc(Oc2ccncc2)c(Cl)c1 ZINC000456176218 822786550 /nfs/dbraw/zinc/78/65/50/822786550.db2.gz WCLFXTCXXBUFKO-UHFFFAOYSA-N 1 0 375.900 4.378 20 0 GIADRO Cc1cc2c(cc1C)[C@H](C(=O)Nc1cccc(C[NH+]3CCSCC3)c1C)CO2 ZINC000185467448 822787689 /nfs/dbraw/zinc/78/76/89/822787689.db2.gz JIRIPELNMNWNFJ-HXUWFJFHSA-N 1 0 396.556 4.275 20 0 GIADRO CC(C)Oc1ccc([C@H](O)C[NH2+][C@H](C)c2cc(Br)ccc2O)cc1 ZINC000185470025 822787813 /nfs/dbraw/zinc/78/78/13/822787813.db2.gz DPMURYLMQISPBR-BFUOFWGJSA-N 1 0 394.309 4.326 20 0 GIADRO Cc1sc2ncnc(SCCC(=O)NC(C)(C)CCC[NH+](C)C)c2c1C ZINC000456208202 822788071 /nfs/dbraw/zinc/78/80/71/822788071.db2.gz TVDRDIOECBFEBU-UHFFFAOYSA-N 1 0 394.610 4.027 20 0 GIADRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccccc1Oc1cccnc1 ZINC000052026207 822788154 /nfs/dbraw/zinc/78/81/54/822788154.db2.gz PDIYGASHQRBAGF-QFIPXVFZSA-N 1 0 387.483 4.441 20 0 GIADRO C[C@@H]1CCN(Cc2nnc(-c3cccc(Cl)c3)o2)CC[N@@H+]1Cc1ccccc1 ZINC000174432436 822789329 /nfs/dbraw/zinc/78/93/29/822789329.db2.gz GHTSLVFIAMAGJP-QGZVFWFLSA-N 1 0 396.922 4.486 20 0 GIADRO CCc1cc(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)nc(-c2ccncc2)n1 ZINC000185483081 822789387 /nfs/dbraw/zinc/78/93/87/822789387.db2.gz UECSJUFIRLOUCP-INIZCTEOSA-N 1 0 379.533 4.046 20 0 GIADRO O=C(CC[NH+]1CCC(O)(c2ccccc2)CC1)Nc1cc(Cl)ccc1Cl ZINC000185485222 822789531 /nfs/dbraw/zinc/78/95/31/822789531.db2.gz ZJNNOONMIFIVLM-UHFFFAOYSA-N 1 0 393.314 4.306 20 0 GIADRO CCSc1cccc(C[NH2+]Cc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)c1 ZINC000185491054 822790101 /nfs/dbraw/zinc/79/01/01/822790101.db2.gz HEGSWGUUBLDGEP-ROUUACIJSA-N 1 0 398.572 4.338 20 0 GIADRO O=C(Nc1ccccc1O)C1CC[NH+](CC2CCC(C(F)(F)F)CC2)CC1 ZINC000185491275 822790274 /nfs/dbraw/zinc/79/02/74/822790274.db2.gz ITJNPILGEXBTFZ-UHFFFAOYSA-N 1 0 384.442 4.411 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)Cc3cccc(OC(F)(F)F)c3)ccc21 ZINC000456254389 822790520 /nfs/dbraw/zinc/79/05/20/822790520.db2.gz BVURXILKNFTXEU-SFHVURJKSA-N 1 0 378.394 4.315 20 0 GIADRO C[NH+](C)Cc1ccccc1C(=O)N[C@H]1CCc2c1ccc(F)c2Br ZINC000456258969 822790970 /nfs/dbraw/zinc/79/09/70/822790970.db2.gz BJXPUCFNMDKELR-KRWDZBQOSA-N 1 0 391.284 4.067 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)CCC(=O)c3ccc4c(c3)CCC4)ccc21 ZINC000456265138 822791666 /nfs/dbraw/zinc/79/16/66/822791666.db2.gz HQWVWYRBXOLLOS-JOCHJYFZSA-N 1 0 376.500 4.326 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)CCc3ncc(-c4ccccc4)o3)ccc21 ZINC000456266405 822791859 /nfs/dbraw/zinc/79/18/59/822791859.db2.gz IEQSMHOQVVAJRR-FQEVSTJZSA-N 1 0 375.472 4.462 20 0 GIADRO Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]CCCCn1ccnc1C ZINC000174452899 822791910 /nfs/dbraw/zinc/79/19/10/822791910.db2.gz QFWBIEIVPUSSIR-UHFFFAOYSA-N 1 0 385.943 4.277 20 0 GIADRO Cc1nccn1CCCC[NH2+]Cc1cc(C)c(OCc2ccccn2)c(C)c1 ZINC000174453943 822792125 /nfs/dbraw/zinc/79/21/25/822792125.db2.gz PHFLHVBLQMNRGT-UHFFFAOYSA-N 1 0 378.520 4.352 20 0 GIADRO C/C=C/c1ccc(OCC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)c(OC)c1 ZINC000456270778 822792277 /nfs/dbraw/zinc/79/22/77/822792277.db2.gz WINNANBSGOTFEL-RRFGBZISSA-N 1 0 380.488 4.295 20 0 GIADRO CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000456272420 822792359 /nfs/dbraw/zinc/79/23/59/822792359.db2.gz YRXAENVQFKSKQN-KNXBSLHKSA-N 1 0 393.531 4.019 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)c1cc(Cl)c2c(c1)OCCO2)c1ccc2ccccc2c1O ZINC000185518101 822792800 /nfs/dbraw/zinc/79/28/00/822792800.db2.gz PCYAQKQMWVPWNE-BFUOFWGJSA-N 1 0 399.874 4.354 20 0 GIADRO CCN(CC)C(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccccc2C)c1 ZINC000052212383 822793270 /nfs/dbraw/zinc/79/32/70/822793270.db2.gz QIBYHMABJWULAZ-QFIPXVFZSA-N 1 0 393.531 4.253 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)CN[C@H](c3ccccc3)C(F)(F)F)ccc21 ZINC000456282030 822793712 /nfs/dbraw/zinc/79/37/12/822793712.db2.gz RYKDMMJWLVGUOF-UYAOXDASSA-N 1 0 391.437 4.067 20 0 GIADRO CC(=O)c1cccc(OCCCC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)c1 ZINC000456283290 822793952 /nfs/dbraw/zinc/79/39/52/822793952.db2.gz SLEYXTYUMYVHMZ-JOCHJYFZSA-N 1 0 380.488 4.236 20 0 GIADRO CN(C(=O)N[C@H]1CCCc2sccc21)C1CC[NH+](Cc2ccccc2)CC1 ZINC000185536429 822794427 /nfs/dbraw/zinc/79/44/27/822794427.db2.gz QFUKCKBNGJZGRT-FQEVSTJZSA-N 1 0 383.561 4.432 20 0 GIADRO CN(C)c1ccccc1C[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000174469348 822794357 /nfs/dbraw/zinc/79/43/57/822794357.db2.gz ZTKFGHICMXGHGS-UHFFFAOYSA-N 1 0 389.337 4.311 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)c3ccc(C(=O)NCC(C)(C)C)cc3)ccc21 ZINC000456292055 822794972 /nfs/dbraw/zinc/79/49/72/822794972.db2.gz ZNPJYZXQPZMFIL-NRFANRHFSA-N 1 0 393.531 4.264 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1c(Cl)cccc1C(F)(F)F)[C@H]1COc2ccccc21 ZINC000185543199 822795032 /nfs/dbraw/zinc/79/50/32/822795032.db2.gz FRKCBFWMDPULTF-DGCLKSJQSA-N 1 0 398.812 4.452 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[C@H]1COc2ccccc21 ZINC000185544214 822795146 /nfs/dbraw/zinc/79/51/46/822795146.db2.gz BKGCRLJIBLUZFK-SMDDNHRTSA-N 1 0 398.812 4.452 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[C@H]1COc2ccccc21 ZINC000185544237 822795227 /nfs/dbraw/zinc/79/52/27/822795227.db2.gz BKGCRLJIBLUZFK-BXUZGUMPSA-N 1 0 398.812 4.452 20 0 GIADRO CC1(C(=O)N2CCCc3ccccc3CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000456304718 822796238 /nfs/dbraw/zinc/79/62/38/822796238.db2.gz BAKUAJMKGZNAFZ-UHFFFAOYSA-N 1 0 376.544 4.306 20 0 GIADRO C[C@H]1CN(C(=O)CCc2ccc3ccccc3n2)CC[N@H+](Cc2ccccc2)C1 ZINC000456311032 822797040 /nfs/dbraw/zinc/79/70/40/822797040.db2.gz ROQWQZLBCJBLNA-HXUWFJFHSA-N 1 0 387.527 4.148 20 0 GIADRO CCN1c2ccc(NC(=O)[C@H](c3ccccc3)[NH+](CC)CC)cc2CCC1=O ZINC000185567429 822797185 /nfs/dbraw/zinc/79/71/85/822797185.db2.gz QOBBAUOLMISSBS-QFIPXVFZSA-N 1 0 379.504 4.007 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1nc(-c2ccc(F)cc2)cs1)[C@H]1COc2ccccc21 ZINC000185566633 822797247 /nfs/dbraw/zinc/79/72/47/822797247.db2.gz XJXXSSWKWGOVLV-SUMWQHHRSA-N 1 0 397.475 4.042 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1nc(-c2ccc(F)cc2)cs1)[C@@H]1COc2ccccc21 ZINC000185566617 822797256 /nfs/dbraw/zinc/79/72/56/822797256.db2.gz XJXXSSWKWGOVLV-DYVFJYSZSA-N 1 0 397.475 4.042 20 0 GIADRO Cc1nc(-c2ccccc2)oc1C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000456316438 822797725 /nfs/dbraw/zinc/79/77/25/822797725.db2.gz ADUVILDISHOTBM-SFHVURJKSA-N 1 0 389.499 4.244 20 0 GIADRO CC[C@](C)([NH2+]Cc1cc(C)c(OCC(=O)OC)c(C)c1)c1nc(C)cs1 ZINC000174506457 822798326 /nfs/dbraw/zinc/79/83/26/822798326.db2.gz SSAJGOPFMFXSLB-FQEVSTJZSA-N 1 0 376.522 4.035 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)N2CCO[C@@H](c3ccc(F)cc3Cl)C2)c1 ZINC000185576005 822798374 /nfs/dbraw/zinc/79/83/74/822798374.db2.gz BROAWZBLDAEACS-LJQANCHMSA-N 1 0 391.874 4.146 20 0 GIADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(OCc3cccnc3)c2)C12CCC2 ZINC000174508790 822798664 /nfs/dbraw/zinc/79/86/64/822798664.db2.gz UOEUGYZAVNDTOK-FGZHOGPDSA-N 1 0 382.504 4.107 20 0 GIADRO CCCOc1ccc(C(F)(F)F)cc1NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000174509432 822798728 /nfs/dbraw/zinc/79/87/28/822798728.db2.gz NRVHGSGYCUINIF-CQSZACIVSA-N 1 0 387.446 4.300 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)C3(c4cccc(Cl)c4)CC(=O)C3)ccc21 ZINC000456328893 822798944 /nfs/dbraw/zinc/79/89/44/822798944.db2.gz RRHCVSRAIKITHR-FQEVSTJZSA-N 1 0 382.891 4.128 20 0 GIADRO C[C@@H]1CN(C(=O)c2ncoc2-c2ccc(F)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000456333265 822799391 /nfs/dbraw/zinc/79/93/91/822799391.db2.gz LJLMFOLXVYGEQN-KRWDZBQOSA-N 1 0 393.462 4.075 20 0 GIADRO COc1cc(C)c([C@H](C)NC(=O)C[N@@H+]2CCC[C@@H]2c2ccccc2)cc1OC ZINC000052432231 822799437 /nfs/dbraw/zinc/79/94/37/822799437.db2.gz MEAWBTLQJJUXPY-FXAWDEMLSA-N 1 0 382.504 4.027 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(C)c(NC(=O)Nc3ccccc3)c2)C1 ZINC000174514768 822799572 /nfs/dbraw/zinc/79/95/72/822799572.db2.gz IKUNRQNMHFKVDQ-GOSISDBHSA-N 1 0 394.519 4.053 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(C(C)C)nc3c2c(C)nn3C(C)(C)C)C1 ZINC000174520358 822800135 /nfs/dbraw/zinc/80/01/35/822800135.db2.gz XULLOPOCSVHPDG-QGZVFWFLSA-N 1 0 399.583 4.032 20 0 GIADRO CCCC[NH+]1CCC(NC(=O)NC[C@@H]2CCCO[C@H]2c2ccc(C)cc2)CC1 ZINC000174526650 822801293 /nfs/dbraw/zinc/80/12/93/822801293.db2.gz UVUAOXQFBPDJCJ-UNMCSNQZSA-N 1 0 387.568 4.026 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cnn(-c3ccc(Cl)cc3)c2C(C)C)C1 ZINC000174539532 822802757 /nfs/dbraw/zinc/80/27/57/822802757.db2.gz NOBYPPAQVUALBR-MRXNPFEDSA-N 1 0 388.943 4.063 20 0 GIADRO Cn1cncc1C[NH2+][C@@](C)(Cc1cccc(Br)c1)c1ccccc1 ZINC000174541379 822803048 /nfs/dbraw/zinc/80/30/48/822803048.db2.gz QBDMXHJDORSNRL-FQEVSTJZSA-N 1 0 384.321 4.430 20 0 GIADRO Cn1cc(C[NH2+][C@@](C)(Cc2cccc(Br)c2)c2ccccc2)cn1 ZINC000174541241 822803098 /nfs/dbraw/zinc/80/30/98/822803098.db2.gz RURQVDNXRJPPOK-FQEVSTJZSA-N 1 0 384.321 4.430 20 0 GIADRO COc1ccc(C[NH2+][C@@H](C)Cc2c(C)nn(C)c2C)cc1OCc1ccccc1 ZINC000174543458 822803221 /nfs/dbraw/zinc/80/32/21/822803221.db2.gz VFULRQLTKMWWQR-KRWDZBQOSA-N 1 0 393.531 4.345 20 0 GIADRO COc1cc(-c2nc(C[NH2+][C@H](C)[C@@H]3COc4ccccc43)cs2)ccc1O ZINC000185622845 822803420 /nfs/dbraw/zinc/80/34/20/822803420.db2.gz XGOWCBZABWILQO-DYVFJYSZSA-N 1 0 382.485 4.179 20 0 GIADRO C[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)Cc1ccc(Cl)c2cccnc12 ZINC000052561152 822803779 /nfs/dbraw/zinc/80/37/79/822803779.db2.gz IVIBUEJVCOKCLB-UHFFFAOYSA-N 1 0 379.891 4.412 20 0 GIADRO CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[C@H](C)n2ccnc21)c1cccc(C(F)(F)F)c1 ZINC000456398697 822804467 /nfs/dbraw/zinc/80/44/67/822804467.db2.gz UJGSNXDNHXIKIX-XKQJLSEDSA-N 1 0 394.441 4.107 20 0 GIADRO Cc1ccc(C(=O)c2ccccc2C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000174556471 822804719 /nfs/dbraw/zinc/80/47/19/822804719.db2.gz SFXJZNGPDIQUNA-HXUWFJFHSA-N 1 0 390.527 4.174 20 0 GIADRO COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@H](C)c1cc(C)ccc1O ZINC000185640185 822805622 /nfs/dbraw/zinc/80/56/22/822805622.db2.gz VEBAYRDKHGBYOB-CQSZACIVSA-N 1 0 376.884 4.350 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1cc(C)ccc1C ZINC000185641792 822805888 /nfs/dbraw/zinc/80/58/88/822805888.db2.gz KLPJPXHZSLOPDR-HIFRSBDPSA-N 1 0 396.457 4.357 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1c(C)cccc1C ZINC000185646580 822806414 /nfs/dbraw/zinc/80/64/14/822806414.db2.gz QFEPOGYOEAXEPQ-ZFWWWQNUSA-N 1 0 396.457 4.357 20 0 GIADRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2)cc1OC ZINC000052660271 822806480 /nfs/dbraw/zinc/80/64/80/822806480.db2.gz FVLHLTOSSQUNLI-STQMWFEESA-N 1 0 396.409 4.400 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cc(F)ccc2F)cc1OCC ZINC000052659686 822806509 /nfs/dbraw/zinc/80/65/09/822806509.db2.gz YDEVIBNLFIURCO-KBPBESRZSA-N 1 0 392.446 4.440 20 0 GIADRO CCCCCNC(=O)C1CC[NH+]([C@H](C)C(=O)Nc2cccc3ccccc32)CC1 ZINC000052721716 822808528 /nfs/dbraw/zinc/80/85/28/822808528.db2.gz WEHBJTHYSDVFIN-GOSISDBHSA-N 1 0 395.547 4.185 20 0 GIADRO COC(=O)COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2C(C)C)cc1 ZINC000185678387 822809205 /nfs/dbraw/zinc/80/92/05/822809205.db2.gz OQXWZVQCMSPLNN-IRXDYDNUSA-N 1 0 398.503 4.040 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3cc(Cl)cc(Cl)n3)cc2)CC1 ZINC000185678428 822809450 /nfs/dbraw/zinc/80/94/50/822809450.db2.gz TWEPCXSIWCIZPF-UHFFFAOYSA-N 1 0 393.318 4.171 20 0 GIADRO Cc1ccc2[nH]cc(CCC(=O)NC[C@@H]3CC[N@H+](CCc4ccccc4)C3)c2c1 ZINC000174612761 822812525 /nfs/dbraw/zinc/81/25/25/822812525.db2.gz DNNHKRJSVMDTSE-NRFANRHFSA-N 1 0 389.543 4.090 20 0 GIADRO c1c(C[NH2+]CC2(Cc3ccccc3)CCCCC2)nnn1Cc1cccnc1 ZINC000185709888 822812781 /nfs/dbraw/zinc/81/27/81/822812781.db2.gz BQOBAVAPCHIFOD-UHFFFAOYSA-N 1 0 375.520 4.004 20 0 GIADRO COCCC[NH+]1CCC(NC(=O)N(Cc2ccccc2)C2CCCCC2)CC1 ZINC000174622231 822813667 /nfs/dbraw/zinc/81/36/67/822813667.db2.gz WTEOPWMZTYHRTP-UHFFFAOYSA-N 1 0 387.568 4.032 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(c2ncccc2Cl)C1)c1cc(Br)ccc1O ZINC000185717783 822813879 /nfs/dbraw/zinc/81/38/79/822813879.db2.gz GPPWKXUAWAAZGX-WCQYABFASA-N 1 0 396.716 4.133 20 0 GIADRO COc1ccc(C[N@H+](C)CCC(=O)Nc2c(Cl)cccc2Cl)cc1O ZINC000174628636 822814392 /nfs/dbraw/zinc/81/43/92/822814392.db2.gz BCCUHOBUHSHDKQ-UHFFFAOYSA-N 1 0 383.275 4.168 20 0 GIADRO CCc1ccc([C@@H]([NH2+]C2CCSCC2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000174633479 822815274 /nfs/dbraw/zinc/81/52/74/822815274.db2.gz AVCSESITQWFLGZ-OAQYLSRUSA-N 1 0 389.586 4.227 20 0 GIADRO C[C@H](c1cc2ccccc2o1)N(C)C(=O)CN[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185742845 822816804 /nfs/dbraw/zinc/81/68/04/822816804.db2.gz VRZBJGIKFGBQLP-NLWGTHIKSA-N 1 0 397.563 4.195 20 0 GIADRO Fc1cccc(C2([NH2+]Cc3ccc(OC[C@@H]4CCCO4)cc3)CCOCC2)c1 ZINC000174644989 822816953 /nfs/dbraw/zinc/81/69/53/822816953.db2.gz PDWPAEIZTNVQOE-QFIPXVFZSA-N 1 0 385.479 4.179 20 0 GIADRO COc1cc(C[NH2+]C2(c3cccc(F)c3)CCOCC2)ccc1OC(F)F ZINC000174646664 822817121 /nfs/dbraw/zinc/81/71/21/822817121.db2.gz DTANVMPORNGMPM-UHFFFAOYSA-N 1 0 381.394 4.231 20 0 GIADRO CC(C)C(=O)Nc1ccc(C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000052994116 822817939 /nfs/dbraw/zinc/81/79/39/822817939.db2.gz RVOWFPLIVFDHDV-UHFFFAOYSA-N 1 0 385.552 4.009 20 0 GIADRO CCC(CC)NC(=O)[C@H](C)[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000052993755 822818059 /nfs/dbraw/zinc/81/80/59/822818059.db2.gz QUDVOOKJYANQLB-ZDUSSCGKSA-N 1 0 377.916 4.354 20 0 GIADRO Cc1nc(-c2ccccc2)sc1CNC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000174657178 822819308 /nfs/dbraw/zinc/81/93/08/822819308.db2.gz MLVRONJYKPUJTA-GOSISDBHSA-N 1 0 386.565 4.134 20 0 GIADRO CN(Cc1coc(-c2ccc(F)cc2)n1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000174658642 822819624 /nfs/dbraw/zinc/81/96/24/822819624.db2.gz QQPMDJYUFBGWGQ-UHFFFAOYSA-N 1 0 394.494 4.015 20 0 GIADRO CC(C)Oc1cccc(C[NH+]2CCC(C(=O)NCc3ccc(F)cc3)CC2)c1 ZINC000053050179 822819887 /nfs/dbraw/zinc/81/98/87/822819887.db2.gz IKLWNOFXLUJTCW-UHFFFAOYSA-N 1 0 384.495 4.141 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)C1(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000456679644 822821964 /nfs/dbraw/zinc/82/19/64/822821964.db2.gz CAQVNOMXQPNRPW-UHFFFAOYSA-N 1 0 396.453 4.041 20 0 GIADRO Cc1cc(Br)cc(Cl)c1C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000456681975 822822181 /nfs/dbraw/zinc/82/21/81/822822181.db2.gz JCGDWAGLZBTAEE-UHFFFAOYSA-N 1 0 385.733 4.158 20 0 GIADRO Cc1csc2nc(C[NH2+][C@H](C)[C@H](C)c3ccccc3C(F)(F)F)cc(=O)n12 ZINC000185799578 822822250 /nfs/dbraw/zinc/82/22/50/822822250.db2.gz CLJBYXBKGIQOFO-QWHCGFSZSA-N 1 0 395.450 4.365 20 0 GIADRO Cc1csc2nc(C[NH2+][C@H](C)[C@@H](C)c3ccccc3C(F)(F)F)cc(=O)n12 ZINC000185799540 822822300 /nfs/dbraw/zinc/82/23/00/822822300.db2.gz CLJBYXBKGIQOFO-CHWSQXEVSA-N 1 0 395.450 4.365 20 0 GIADRO CC(C)[NH+]1CCC(C(=O)N[C@H](c2ccccc2)c2ccc3c(c2)CCCO3)CC1 ZINC000174689669 822823738 /nfs/dbraw/zinc/82/37/38/822823738.db2.gz UWOGEWYITBZAEY-XMMPIXPASA-N 1 0 392.543 4.338 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2cc(-c3cccnc3)on2)cc1 ZINC000053187585 822825304 /nfs/dbraw/zinc/82/53/04/822825304.db2.gz IGITYGUOBXGSJO-QGZVFWFLSA-N 1 0 390.487 4.041 20 0 GIADRO CC(C)CN(C(=O)COc1ccccc1-c1ccccc1)C1CC[NH+](C)CC1 ZINC000053222561 822826738 /nfs/dbraw/zinc/82/67/38/822826738.db2.gz JHVPVYZFVTXLCW-UHFFFAOYSA-N 1 0 380.532 4.311 20 0 GIADRO Cc1ccc(C(=O)N(CC(C)C)C2CC[NH+](C)CC2)cc1NC(=O)c1ccco1 ZINC000053231416 822827182 /nfs/dbraw/zinc/82/71/82/822827182.db2.gz KUUHMZNMMRSQGF-UHFFFAOYSA-N 1 0 397.519 4.033 20 0 GIADRO CC(C)CN(C(=O)CCOc1cccc(Cl)c1Cl)C1CC[NH+](C)CC1 ZINC000053232858 822827323 /nfs/dbraw/zinc/82/73/23/822827323.db2.gz MCQGWLASMFAUKW-UHFFFAOYSA-N 1 0 387.351 4.341 20 0 GIADRO Cc1[nH]c2c(cccc2C(=O)Nc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)c1C ZINC000185851632 822827332 /nfs/dbraw/zinc/82/73/32/822827332.db2.gz VNWKSJIUWXLAKG-UHFFFAOYSA-N 1 0 392.503 4.236 20 0 GIADRO CCC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F ZINC000185868467 822828572 /nfs/dbraw/zinc/82/85/72/822828572.db2.gz FOAJZNHYJMDHKV-HNNXBMFYSA-N 1 0 385.430 4.257 20 0 GIADRO COc1cc(OC)c(NC(=O)C[N@@H+]2CCC[C@H]2c2ccccc2C)cc1Cl ZINC000053279474 822828805 /nfs/dbraw/zinc/82/88/05/822828805.db2.gz MRKJTKKOGYYPMK-SFHVURJKSA-N 1 0 388.895 4.441 20 0 GIADRO C[C@H](CC(=O)NC1CC[NH+](C2CCC2)CC1)c1ccc(F)c(Br)c1 ZINC000456743815 822828846 /nfs/dbraw/zinc/82/88/46/822828846.db2.gz YLHGYTAREFVFAU-CYBMUJFWSA-N 1 0 397.332 4.215 20 0 GIADRO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CC([NH2+]Cc1ncc(-c3ccccc3)cn1)C2 ZINC000185875814 822829346 /nfs/dbraw/zinc/82/93/46/822829346.db2.gz XMTQNPWFMQFIPF-IHWFROFDSA-N 1 0 394.519 4.164 20 0 GIADRO CN(C)C(=O)Sc1cccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)c1 ZINC000174731428 822829702 /nfs/dbraw/zinc/82/97/02/822829702.db2.gz QXGBGHWSZLNSFV-HXUWFJFHSA-N 1 0 397.544 4.454 20 0 GIADRO CC(C)[NH+]1CCC(C(=O)NCC2(c3cccc(Br)c3)CCC2)CC1 ZINC000174733915 822830090 /nfs/dbraw/zinc/83/00/90/822830090.db2.gz GHOXZTWGUMUGEP-UHFFFAOYSA-N 1 0 393.369 4.107 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)c2cc(F)cc(F)c2)CC1 ZINC000456789371 822831110 /nfs/dbraw/zinc/83/11/10/822831110.db2.gz UJCBNCWTJIWPLX-UHFFFAOYSA-N 1 0 380.822 4.344 20 0 GIADRO C[N@H+](CCNC(=O)CCc1ncc(-c2ccccc2Cl)o1)Cc1ccccc1 ZINC000053349505 822831168 /nfs/dbraw/zinc/83/11/68/822831168.db2.gz AYQOJITXUOBDHH-UHFFFAOYSA-N 1 0 397.906 4.176 20 0 GIADRO CN1CCc2ccc(C(=O)Nc3cc(Cl)ccc3OC3CC[NH+](C)CC3)cc21 ZINC000456798459 822832090 /nfs/dbraw/zinc/83/20/90/822832090.db2.gz YTRUZDSGAILAGZ-UHFFFAOYSA-N 1 0 399.922 4.058 20 0 GIADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2cc3c(cc2Cl)OCO3)C1 ZINC000174753048 822832542 /nfs/dbraw/zinc/83/25/42/822832542.db2.gz FVYGPEISFRSAOS-GJZGRUSLSA-N 1 0 393.915 4.187 20 0 GIADRO O=C(NCCc1ncc[nH]1)c1oc2ccccc2c1CSc1cccs1 ZINC000174762045 822833763 /nfs/dbraw/zinc/83/37/63/822833763.db2.gz WURXEIAELVVMLB-UHFFFAOYSA-N 1 0 383.498 4.482 20 0 GIADRO CC[C@H](NC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1nc(C)cs1 ZINC000174762298 822834032 /nfs/dbraw/zinc/83/40/32/822834032.db2.gz HHGPPARWURPJKR-MOPGFXCFSA-N 1 0 386.565 4.066 20 0 GIADRO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)C1 ZINC000174769291 822834670 /nfs/dbraw/zinc/83/46/70/822834670.db2.gz WZGCNJCHVAVDRV-GOSISDBHSA-N 1 0 378.476 4.443 20 0 GIADRO Cc1ccc(NC(=O)C(C)C)cc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000174779530 822835780 /nfs/dbraw/zinc/83/57/80/822835780.db2.gz BTDYNVXPKNVNKP-MOPGFXCFSA-N 1 0 386.540 4.069 20 0 GIADRO C[C@H](OCc1ccccc1)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000185957562 822837245 /nfs/dbraw/zinc/83/72/45/822837245.db2.gz CQBOEDVRPSNDAS-QTEQDKRBSA-N 1 0 380.532 4.103 20 0 GIADRO C[C@H](CC(=O)Nc1cccc(OCCC[NH+](C)C)c1)C(=O)c1cccc(F)c1 ZINC000174795291 822837915 /nfs/dbraw/zinc/83/79/15/822837915.db2.gz GMHDPDCHJGRRHU-MRXNPFEDSA-N 1 0 386.467 4.004 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)NC[C@H](c1ccccc1)C(F)(F)F ZINC000185962734 822838092 /nfs/dbraw/zinc/83/80/92/822838092.db2.gz CSSDVZHHXCFSLW-SJORKVTESA-N 1 0 395.425 4.062 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)Nc2cccc(-c3cc[nH]n3)c2)CC1 ZINC000185961741 822838100 /nfs/dbraw/zinc/83/81/00/822838100.db2.gz RQLHBALPWOUBPZ-QGZVFWFLSA-N 1 0 389.503 4.424 20 0 GIADRO CC(=O)Nc1cc(C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)ccc1F ZINC000053513371 822838137 /nfs/dbraw/zinc/83/81/37/822838137.db2.gz RBGZZXBSCGNINX-INIZCTEOSA-N 1 0 397.494 4.089 20 0 GIADRO C[C@@H](NC(=O)NC[C@H](c1cccs1)[NH+](C)C)c1ccc(Br)cc1 ZINC000053528705 822839219 /nfs/dbraw/zinc/83/92/19/822839219.db2.gz QCPDVWYSIQDFJJ-IUODEOHRSA-N 1 0 396.354 4.174 20 0 GIADRO CN(Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000053529749 822839464 /nfs/dbraw/zinc/83/94/64/822839464.db2.gz WIRQSEOYSOEPDN-HNNXBMFYSA-N 1 0 385.455 4.211 20 0 GIADRO CC1CC[NH+]([C@H](CNC(=O)N(C)Cc2cccs2)c2cccs2)CC1 ZINC000053537106 822839541 /nfs/dbraw/zinc/83/95/41/822839541.db2.gz AYDFVBQTAVASPG-QGZVFWFLSA-N 1 0 377.579 4.424 20 0 GIADRO CN(Cc1ccc(Cl)s1)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000053548285 822840416 /nfs/dbraw/zinc/84/04/16/822840416.db2.gz PRKUCJPNDWVGJY-AWEZNQCLSA-N 1 0 383.970 4.442 20 0 GIADRO COc1ccc([C@@H](C)NC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1F ZINC000053547725 822840438 /nfs/dbraw/zinc/84/04/38/822840438.db2.gz SLQYHADTKGQJLR-OXQOHEQNSA-N 1 0 385.483 4.032 20 0 GIADRO c1coc([C@H](CNc2ccc3nnc(-c4ccccc4)n3n2)[NH+]2CCCCC2)c1 ZINC000053549848 822840633 /nfs/dbraw/zinc/84/06/33/822840633.db2.gz HXDRZVKEDYNDRU-SFHVURJKSA-N 1 0 388.475 4.023 20 0 GIADRO CN(Cc1ccsc1)C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000053553247 822840801 /nfs/dbraw/zinc/84/08/01/822840801.db2.gz VCRJGBGATMOUTE-GOSISDBHSA-N 1 0 377.941 4.380 20 0 GIADRO CCSCc1cc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)no1 ZINC000185987806 822841387 /nfs/dbraw/zinc/84/13/87/822841387.db2.gz OPMPBBAJWHFQBB-SJLPKXTDSA-N 1 0 387.549 4.053 20 0 GIADRO COc1ccc(C[NH2+]C2CCN(C(=O)c3ccccc3)CC2)cc1OCC(C)C ZINC000053601655 822842229 /nfs/dbraw/zinc/84/22/29/822842229.db2.gz DBPNCPKMYPMKEC-UHFFFAOYSA-N 1 0 396.531 4.124 20 0 GIADRO CC1CC[NH+](Cc2ccc(NC(=O)c3ccc(N4CCOC4=O)cc3)cc2)CC1 ZINC000053619080 822842998 /nfs/dbraw/zinc/84/29/98/822842998.db2.gz BAVJMEZXGSBYHW-UHFFFAOYSA-N 1 0 393.487 4.127 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)NCc2ccc(N3CCCCCC3)nc2)cc1 ZINC000053632766 822843236 /nfs/dbraw/zinc/84/32/36/822843236.db2.gz AAYIAEKWVSTOJS-UHFFFAOYSA-N 1 0 394.563 4.234 20 0 GIADRO CC(C)(C)[C@@H]([NH2+]CC(=O)Nc1ccccc1C(=O)NC1CC1)c1ccc(F)cc1 ZINC000053644255 822843720 /nfs/dbraw/zinc/84/37/20/822843720.db2.gz CSSRYARSGOJAHG-NRFANRHFSA-N 1 0 397.494 4.033 20 0 GIADRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000186018490 822844179 /nfs/dbraw/zinc/84/41/79/822844179.db2.gz WZRCINMJMQYVEJ-UHFFFAOYSA-N 1 0 386.540 4.201 20 0 GIADRO Cc1ccc([C@H](C)[NH2+]CCC(=O)Nc2cc(Br)ccc2C)c(O)c1 ZINC000186031188 822845384 /nfs/dbraw/zinc/84/53/84/822845384.db2.gz NAMNVGMDCZJBLH-AWEZNQCLSA-N 1 0 391.309 4.451 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(F)c(Cl)c2F)[C@@H]1c1cccs1 ZINC000186048670 822847086 /nfs/dbraw/zinc/84/70/86/822847086.db2.gz VYUDSEPKZDRNGQ-PIGZYNQJSA-N 1 0 384.879 4.493 20 0 GIADRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000053759018 822847223 /nfs/dbraw/zinc/84/72/23/822847223.db2.gz HKIDARJBKCCKQX-INIZCTEOSA-N 1 0 393.409 4.107 20 0 GIADRO CC1(C(=O)NNc2c(F)cccc2Cl)CC[NH+](Cc2ccccc2)CC1 ZINC000186056276 822847792 /nfs/dbraw/zinc/84/77/92/822847792.db2.gz RBTBXNHIECYNMY-UHFFFAOYSA-N 1 0 375.875 4.225 20 0 GIADRO O=C(C[NH+]1CCCCCC1)Nc1ccc(NC(=O)c2ccc3cc[nH]c3c2)cc1 ZINC000053794599 822848188 /nfs/dbraw/zinc/84/81/88/822848188.db2.gz RWRHUAZRWJFUHF-UHFFFAOYSA-N 1 0 390.487 4.235 20 0 GIADRO COc1cc(F)cc(C[C@H](C)NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000457056004 822848603 /nfs/dbraw/zinc/84/86/03/822848603.db2.gz LSNFJCCBXSBRFW-SFHVURJKSA-N 1 0 398.522 4.184 20 0 GIADRO CN(C(=O)C1(Cc2ccccc2)CCC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457062239 822849040 /nfs/dbraw/zinc/84/90/40/822849040.db2.gz AAYUBOZEPLUULX-UHFFFAOYSA-N 1 0 382.470 4.275 20 0 GIADRO CN(C(=O)[C@@H]1C[C@@]12CCCc1ccccc12)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457063100 822849169 /nfs/dbraw/zinc/84/91/69/822849169.db2.gz AYMNVBFBAKONPN-PZJWPPBQSA-N 1 0 394.481 4.156 20 0 GIADRO CN(C(=O)c1ccc([C@H]2CCCOC2)cc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457062486 822849198 /nfs/dbraw/zinc/84/91/98/822849198.db2.gz CXOBTMAZYAXNAR-SFHVURJKSA-N 1 0 398.469 4.069 20 0 GIADRO CN(C(=O)c1cccc(C(F)(F)F)c1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457062630 822849255 /nfs/dbraw/zinc/84/92/55/822849255.db2.gz ATYXXQTZJYYRGQ-UHFFFAOYSA-N 1 0 382.348 4.194 20 0 GIADRO CCNc1ccc(Cl)cc1C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457064788 822849305 /nfs/dbraw/zinc/84/93/05/822849305.db2.gz HCFSYUZXZVQECX-UHFFFAOYSA-N 1 0 391.865 4.261 20 0 GIADRO Cc1oc2ccccc2c1CC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457074269 822850264 /nfs/dbraw/zinc/85/02/64/822850264.db2.gz VKZBXWDQNWVAMO-UHFFFAOYSA-N 1 0 382.426 4.159 20 0 GIADRO CN(C(=O)[C@@H]1C[C@H]1c1ccccc1Cl)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457075093 822850405 /nfs/dbraw/zinc/85/04/05/822850405.db2.gz WDNXZIAHRBYISS-JKSUJKDBSA-N 1 0 388.861 4.319 20 0 GIADRO CN(C(=O)[C@H]1CCCC[C@H]1C(F)(F)F)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457082770 822851109 /nfs/dbraw/zinc/85/11/09/822851109.db2.gz JDXGGOPCKFJKMR-UONOGXRCSA-N 1 0 388.396 4.230 20 0 GIADRO Cc1csc([C@H](NC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)C2CC2)n1 ZINC000174890084 822851294 /nfs/dbraw/zinc/85/12/94/822851294.db2.gz KZYRQEDZVNCUDN-MAUKXSAKSA-N 1 0 386.565 4.331 20 0 GIADRO Cc1nc(-c2ccccc2)oc1C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457084490 822851474 /nfs/dbraw/zinc/85/14/74/822851474.db2.gz LGDZXCIYAXSPPA-UHFFFAOYSA-N 1 0 395.425 4.139 20 0 GIADRO C[C@H](CCc1ccccc1F)C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457087578 822851973 /nfs/dbraw/zinc/85/19/73/822851973.db2.gz QDSYNIRUABDAST-OAHLLOKOSA-N 1 0 388.449 4.270 20 0 GIADRO Cc1c2cc(F)ccc2oc1C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457089224 822852170 /nfs/dbraw/zinc/85/21/70/822852170.db2.gz SKQYRIONCFOQTB-UHFFFAOYSA-N 1 0 386.389 4.369 20 0 GIADRO CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)[NH+]3CCC(OC)CC3)ccc21 ZINC000053897483 822852308 /nfs/dbraw/zinc/85/23/08/822852308.db2.gz MBLIRJLDHQGVDM-MRXNPFEDSA-N 1 0 379.504 4.252 20 0 GIADRO Cc1ccc(CCCC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)s1 ZINC000457090015 822852358 /nfs/dbraw/zinc/85/23/58/822852358.db2.gz UTHNSPBYYQNKIX-UHFFFAOYSA-N 1 0 376.488 4.254 20 0 GIADRO COc1ccc(-c2nn(-c3ccccc3)cc2C[NH+]2CCC(OC)CC2)cc1 ZINC000053897686 822852406 /nfs/dbraw/zinc/85/24/06/822852406.db2.gz RKFIDBOAQITVBD-UHFFFAOYSA-N 1 0 377.488 4.159 20 0 GIADRO COc1c(C)ccc(NC(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)c1C ZINC000174899819 822852509 /nfs/dbraw/zinc/85/25/09/822852509.db2.gz ULAXDANFHZYGMO-GOSISDBHSA-N 1 0 381.520 4.440 20 0 GIADRO COc1c(C)ccc(NC(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)c1C ZINC000174899803 822852543 /nfs/dbraw/zinc/85/25/43/822852543.db2.gz ULAXDANFHZYGMO-SFHVURJKSA-N 1 0 381.520 4.440 20 0 GIADRO Cc1nc2cc(C(=O)N(C)[C@H]3CC[N@@H+](C(C)C)C3)ccc2n1Cc1ccsc1 ZINC000457098797 822853166 /nfs/dbraw/zinc/85/31/66/822853166.db2.gz ULULPWQAYACZSQ-IBGZPJMESA-N 1 0 396.560 4.009 20 0 GIADRO Cc1ccn(-c2ccccc2C[NH2+][C@H](C)c2ccc(Br)cc2O)n1 ZINC000186123111 822853541 /nfs/dbraw/zinc/85/35/41/822853541.db2.gz QFMKMFXIZFJWTH-CQSZACIVSA-N 1 0 386.293 4.500 20 0 GIADRO Cc1nn(Cc2ccccc2)c2sc(C(=O)N(C)[C@@H]3CC[N@@H+](C(C)C)C3)cc12 ZINC000457107095 822853544 /nfs/dbraw/zinc/85/35/44/822853544.db2.gz DUZOHMVUMHOXQW-GOSISDBHSA-N 1 0 396.560 4.009 20 0 GIADRO O=C(N[C@@H]1CCC[C@@H](c2cccc(Cl)c2)C1)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000457107457 822853675 /nfs/dbraw/zinc/85/36/75/822853675.db2.gz BYJSZVRFZQWMJC-QFUCXCTJSA-N 1 0 390.955 4.126 20 0 GIADRO C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000186127652 822854035 /nfs/dbraw/zinc/85/40/35/822854035.db2.gz ICGXDXCVHLJVMJ-ZLIFDBKOSA-N 1 0 387.351 4.118 20 0 GIADRO COc1ccccc1-c1nnc(C[N@H+](CCCO)[C@H]2CCCc3ccccc32)o1 ZINC000174908194 822854141 /nfs/dbraw/zinc/85/41/41/822854141.db2.gz JQMNMJKYJOTVSA-FQEVSTJZSA-N 1 0 393.487 4.007 20 0 GIADRO 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 822854244 /nfs/dbraw/zinc/85/42/44/822854244.db2.gz ILHJRXNBGRUMQY-KRWDZBQOSA-N 1 0 399.583 4.173 20 0 GIADRO Cc1csc([C@@H](NC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)C2CC2)n1 ZINC000174911369 822854547 /nfs/dbraw/zinc/85/45/47/822854547.db2.gz ZLPSQTZSYDULEL-OALUTQOASA-N 1 0 384.549 4.039 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2cc(C(C)C)n(C(C)(C)C)n2)CC1 ZINC000053968530 822855056 /nfs/dbraw/zinc/85/50/56/822855056.db2.gz UPDKAQWPTTWRFK-UHFFFAOYSA-N 1 0 396.579 4.464 20 0 GIADRO Cc1cn(-c2ccccc2)nc1C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000186140669 822855179 /nfs/dbraw/zinc/85/51/79/822855179.db2.gz NGHVQXRQBNWUHG-FQEVSTJZSA-N 1 0 394.563 4.297 20 0 GIADRO Cc1nc([C@H]2CCCN2C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)cs1 ZINC000186144247 822855289 /nfs/dbraw/zinc/85/52/89/822855289.db2.gz OBHQGWVSDKRGHG-UYAOXDASSA-N 1 0 384.549 4.135 20 0 GIADRO COc1ccsc1[C@@H](C)[NH2+][C@@H](C)CC(=O)Nc1cccc(N2CCCC2)c1 ZINC000186146878 822855621 /nfs/dbraw/zinc/85/56/21/822855621.db2.gz ARABAWFMKLHOLH-JKSUJKDBSA-N 1 0 387.549 4.425 20 0 GIADRO CCC[C@@H]([NH2+][C@H](C)c1sccc1OC)C(=O)N1CCc2sccc2C1 ZINC000186148033 822855755 /nfs/dbraw/zinc/85/57/55/822855755.db2.gz JYRNHKLQSQOIIY-UKRRQHHQSA-N 1 0 378.563 4.222 20 0 GIADRO O=C(Cc1coc2ccc3ccccc3c12)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000053990054 822855841 /nfs/dbraw/zinc/85/58/41/822855841.db2.gz BXJJCAMQZMZSTD-UHFFFAOYSA-N 1 0 399.494 4.304 20 0 GIADRO O=C(CCc1ccc(Cl)cc1Cl)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000053991016 822855987 /nfs/dbraw/zinc/85/59/87/822855987.db2.gz NLAKLGYDYAORRL-UHFFFAOYSA-N 1 0 392.330 4.102 20 0 GIADRO Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000053991424 822856056 /nfs/dbraw/zinc/85/60/56/822856056.db2.gz MRHVPNFVEDBZST-IBGZPJMESA-N 1 0 395.547 4.062 20 0 GIADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cccnc2SCc2ccc(F)cc2)C1 ZINC000457132385 822856280 /nfs/dbraw/zinc/85/62/80/822856280.db2.gz USVGOXOIRGHOBY-GOSISDBHSA-N 1 0 387.524 4.068 20 0 GIADRO COCCN(Cc1ccccc1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000054003346 822856705 /nfs/dbraw/zinc/85/67/05/822856705.db2.gz ZEMFQMXKOQOXDK-UHFFFAOYSA-N 1 0 395.547 4.031 20 0 GIADRO Cc1cc(OC(F)F)c(C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000174929135 822857283 /nfs/dbraw/zinc/85/72/83/822857283.db2.gz OPTLQTKMMMSUAY-INIZCTEOSA-N 1 0 394.487 4.252 20 0 GIADRO Cc1cc(C(C)(C)C(=O)NCCCC[N@@H+](C)C2CC2)ccc1Br ZINC000457161044 822858155 /nfs/dbraw/zinc/85/81/55/822858155.db2.gz CMFHTUBJERZPFK-UHFFFAOYSA-N 1 0 381.358 4.026 20 0 GIADRO Cc1cc(C)c(C[C@@H](C(=O)NCCCC[N@@H+](C)C2CC2)C(F)(F)F)c(C)c1 ZINC000457164387 822858280 /nfs/dbraw/zinc/85/82/80/822858280.db2.gz IZIVXOHRABUQQE-IBGZPJMESA-N 1 0 384.486 4.323 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc(Br)cc1O)c1ccc(-n2ccnn2)cc1 ZINC000186184012 822858897 /nfs/dbraw/zinc/85/88/97/822858897.db2.gz VQEVALDNWVXKME-CHWSQXEVSA-N 1 0 387.281 4.147 20 0 GIADRO C[N@H+](CCCCNC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)C1CC1 ZINC000457177071 822859229 /nfs/dbraw/zinc/85/92/29/822859229.db2.gz BQZQYRPIWXXCOQ-UHFFFAOYSA-N 1 0 399.482 4.238 20 0 GIADRO O=C([C@@H]1CCC[C@@H](O)C1)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457193369 822859795 /nfs/dbraw/zinc/85/97/95/822859795.db2.gz IGOJNUUZCVHBQK-SMIHKQSGSA-N 1 0 398.591 4.221 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)c2sccc2Br)c1 ZINC000054032737 822859808 /nfs/dbraw/zinc/85/98/08/822859808.db2.gz PLLYYWVKTFHHAK-UHFFFAOYSA-N 1 0 381.339 4.282 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(Cc2coc(-c3ccc(Br)cc3)n2)C1 ZINC000174949841 822859940 /nfs/dbraw/zinc/85/99/40/822859940.db2.gz DHDLNBZAKCLSCV-HNNXBMFYSA-N 1 0 392.341 4.268 20 0 GIADRO Cc1cc(C(=O)N2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)nn1C ZINC000457194498 822859944 /nfs/dbraw/zinc/85/99/44/822859944.db2.gz LELYZCMCMKVZNE-HSZRJFAPSA-N 1 0 394.563 4.026 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000174951331 822860253 /nfs/dbraw/zinc/86/02/53/822860253.db2.gz CPEIXRXGHKKUHH-GBESFXJTSA-N 1 0 384.470 4.049 20 0 GIADRO O=C(C[C@@H]1CCOC1)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457197834 822860359 /nfs/dbraw/zinc/86/03/59/822860359.db2.gz WPSMNHSGKUDOQB-GMAHTHKFSA-N 1 0 384.564 4.096 20 0 GIADRO CC(C)c1nc([C@H](C)[NH2+]C[C@H](c2ccc(F)cc2)N2CCOCC2)cs1 ZINC000186205585 822860722 /nfs/dbraw/zinc/86/07/22/822860722.db2.gz ZUGIURKXBPNOSG-HNAYVOBHSA-N 1 0 377.529 4.130 20 0 GIADRO COc1ccsc1[C@H](C)[NH2+]Cc1cc(Br)c(OC)c(OC)c1 ZINC000186205782 822860820 /nfs/dbraw/zinc/86/08/20/822860820.db2.gz KOPAQJZJGSVMFZ-JTQLQIEISA-N 1 0 386.311 4.387 20 0 GIADRO Cc1ccc(CCCC(=O)Nc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)cc1 ZINC000186209151 822861031 /nfs/dbraw/zinc/86/10/31/822861031.db2.gz GXUIBZUHQATQSW-UHFFFAOYSA-N 1 0 381.520 4.155 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cc1cccc(C(F)(F)F)c1 ZINC000174957588 822861206 /nfs/dbraw/zinc/86/12/06/822861206.db2.gz NRQNLBHBOJSMHO-LJQANCHMSA-N 1 0 390.449 4.228 20 0 GIADRO COC(=O)[C@H](C)Cc1ccc(NC(=O)c2oc3ccccc3c2C[NH+](C)C)cc1 ZINC000186222406 822862194 /nfs/dbraw/zinc/86/21/94/822862194.db2.gz YXOQLUCKKFGNRT-OAHLLOKOSA-N 1 0 394.471 4.098 20 0 GIADRO CCC(=O)Nc1ccc(NC(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)cc1 ZINC000186222888 822862224 /nfs/dbraw/zinc/86/22/24/822862224.db2.gz ZJXYAYCAIPTCKH-NRFANRHFSA-N 1 0 394.519 4.067 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)N(C)Cc2ccc(OC)c(F)c2)cc1 ZINC000054102577 822862522 /nfs/dbraw/zinc/86/25/22/822862522.db2.gz UHASBLSERSYRBQ-UHFFFAOYSA-N 1 0 387.499 4.018 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000054119967 822862857 /nfs/dbraw/zinc/86/28/57/822862857.db2.gz CLFIAPZQAXURSV-RTWAWAEBSA-N 1 0 386.898 4.363 20 0 GIADRO CC(C)(C)OC(=O)C1CCC([NH2+][C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000186232472 822863070 /nfs/dbraw/zinc/86/30/70/822863070.db2.gz QAWXGMDTDMXDEK-OQBIIGTOSA-N 1 0 381.463 4.285 20 0 GIADRO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H]1CCCOc2cc(Cl)ccc21 ZINC000186232896 822863234 /nfs/dbraw/zinc/86/32/34/822863234.db2.gz JVGPTPSKULMJBN-KSSFIOAISA-N 1 0 379.909 4.006 20 0 GIADRO CCC(CC)n1nc(C(=O)Nc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)cc1C ZINC000186238497 822863789 /nfs/dbraw/zinc/86/37/89/822863789.db2.gz IDVICXDSEBJORN-UHFFFAOYSA-N 1 0 399.539 4.004 20 0 GIADRO CC(=O)Nc1cc(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)ccc1F ZINC000054139056 822863831 /nfs/dbraw/zinc/86/38/31/822863831.db2.gz OAGRPUOOLPSLFB-UHFFFAOYSA-N 1 0 383.467 4.065 20 0 GIADRO Cc1ccc(C)c2c1CCC[C@@H]2Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000186244294 822864169 /nfs/dbraw/zinc/86/41/69/822864169.db2.gz VBBOTNUYTHFCJN-QHCPKHFHSA-N 1 0 391.559 4.490 20 0 GIADRO CC(C)c1nc([C@@H](C)[NH2+]C2CCN(C(=O)c3ccccc3F)CC2)cs1 ZINC000186244424 822864205 /nfs/dbraw/zinc/86/42/05/822864205.db2.gz YBCMLGVNMBQICA-CQSZACIVSA-N 1 0 375.513 4.361 20 0 GIADRO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1ccc(F)c(Br)c1 ZINC000054153273 822864564 /nfs/dbraw/zinc/86/45/64/822864564.db2.gz RRHYMZIYGABHJA-CYBMUJFWSA-N 1 0 389.272 4.362 20 0 GIADRO CCC(=O)Nc1ccc(Cl)c(NC(=O)N[C@@H](C)C[NH+]2CCCCCC2)c1 ZINC000186253009 822865155 /nfs/dbraw/zinc/86/51/55/822865155.db2.gz HOFPIIHVVSVCEU-AWEZNQCLSA-N 1 0 380.920 4.075 20 0 GIADRO CC(C)N1CCC[C@@H]([NH2+][C@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)C1=O ZINC000174999099 822865581 /nfs/dbraw/zinc/86/55/81/822865581.db2.gz XAPFBTKTLUBVQA-IIBYNOLFSA-N 1 0 397.494 4.128 20 0 GIADRO COc1ccc([C@H]2CCCCC[N@@H+]2CCc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000054172964 822865619 /nfs/dbraw/zinc/86/56/19/822865619.db2.gz OLOYTZGJTUVITL-OAQYLSRUSA-N 1 0 377.488 4.092 20 0 GIADRO COc1cccc([C@H]2CCC[N@@H+]2Cc2ccc(OCc3nccn3C)cc2)c1 ZINC000054173346 822865735 /nfs/dbraw/zinc/86/57/35/822865735.db2.gz RDCUKRBZHSIFJQ-JOCHJYFZSA-N 1 0 377.488 4.345 20 0 GIADRO Cc1ccc(NC(=O)c2cc3c(s2)CC[C@H](C)C3)cc1NC(=O)CC[NH+](C)C ZINC000186257690 822865912 /nfs/dbraw/zinc/86/59/12/822865912.db2.gz KIPQXDWIHUQVBU-AWEZNQCLSA-N 1 0 399.560 4.324 20 0 GIADRO COc1cc(NC(=O)N2CCC(CCC[NH+](C)C)CC2)ccc1OC(C)C ZINC000186258799 822866071 /nfs/dbraw/zinc/86/60/71/822866071.db2.gz CULMYBBNEDGVJQ-UHFFFAOYSA-N 1 0 377.529 4.068 20 0 GIADRO O=C(Nc1nccs1)C1CC[NH+](Cc2ccc(Cl)c3cccnc23)CC1 ZINC000054180381 822866489 /nfs/dbraw/zinc/86/64/89/822866489.db2.gz HGLPEOLXMFQORS-UHFFFAOYSA-N 1 0 386.908 4.195 20 0 GIADRO C[C@@H](NC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)c1nc(-c2ccccc2)cs1 ZINC000568971583 822866593 /nfs/dbraw/zinc/86/65/93/822866593.db2.gz LHTZDHHAMKAQLJ-CRAIPNDOSA-N 1 0 384.549 4.187 20 0 GIADRO CC1(C)[C@@H](c2ccccc2)CCN1C(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000568973476 822866699 /nfs/dbraw/zinc/86/66/99/822866699.db2.gz IKCCDNHITWIVHB-FCHUYYIVSA-N 1 0 377.532 4.088 20 0 GIADRO CC[C@H](Sc1ccccc1)C(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1 ZINC000186265246 822866986 /nfs/dbraw/zinc/86/69/86/822866986.db2.gz CEVSBTSNFMTWCL-FQEVSTJZSA-N 1 0 399.560 4.395 20 0 GIADRO CC1CC[NH+](Cc2cccc(CNC(=O)N3CCC[C@@H]3[C@H]3CCCOC3)c2)CC1 ZINC000568980309 822867237 /nfs/dbraw/zinc/86/72/37/822867237.db2.gz GQEDDOZJJMVORF-XZOQPEGZSA-N 1 0 399.579 4.019 20 0 GIADRO CC1CC[NH+](Cc2cccc(CNC(=O)N3CCC[C@H]3[C@H]3CCCOC3)c2)CC1 ZINC000568980307 822867259 /nfs/dbraw/zinc/86/72/59/822867259.db2.gz GQEDDOZJJMVORF-GOTSBHOMSA-N 1 0 399.579 4.019 20 0 GIADRO Cc1ccc(-n2ncc(NC(=O)N3CC[C@H](C[NH+]4CCCC4)C3)c2C(C)C)cc1 ZINC000568984436 822867597 /nfs/dbraw/zinc/86/75/97/822867597.db2.gz RPVIEMZYHIZXAJ-LJQANCHMSA-N 1 0 395.551 4.254 20 0 GIADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1c(Cl)cc(F)cc1Br ZINC000568986555 822867625 /nfs/dbraw/zinc/86/76/25/822867625.db2.gz OKAMJRZZVYFESS-JTQLQIEISA-N 1 0 391.712 4.044 20 0 GIADRO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)Cc1ccc(C(F)F)cc1 ZINC000186272655 822868044 /nfs/dbraw/zinc/86/80/44/822868044.db2.gz INUNBWHQIRPSLI-HNNXBMFYSA-N 1 0 394.487 4.357 20 0 GIADRO CC(C)c1nc([C@@H](C)NC[C@@H](O)COc2cccc(C(F)(F)F)c2)cs1 ZINC000186274611 822868524 /nfs/dbraw/zinc/86/85/24/822868524.db2.gz CRBAZOZEWWOWDU-TZMCWYRMSA-N 1 0 388.455 4.376 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2occc2COc2ccccc2)C1 ZINC000054224268 822869163 /nfs/dbraw/zinc/86/91/63/822869163.db2.gz AGJNTMUHSPYITO-NQIIRXRSSA-N 1 0 390.483 4.424 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2sccc2Br)C1 ZINC000054222982 822869195 /nfs/dbraw/zinc/86/91/95/822869195.db2.gz FQSSOUGXNQYIKC-OCCSQVGLSA-N 1 0 379.323 4.076 20 0 GIADRO COc1ccc2[nH+]cc(C(=O)[O-])c(N3CCC[C@H](C[N@@H+]4CCCC[C@H]4C)C3)c2c1 ZINC000569007923 822869315 /nfs/dbraw/zinc/86/93/15/822869315.db2.gz PFUTUBHSBBOKOO-IAGOWNOFSA-N 1 0 397.519 4.032 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1CC[C@@](F)(c2ccccc2F)C1 ZINC000569013647 822869731 /nfs/dbraw/zinc/86/97/31/822869731.db2.gz KRDGIKKYTLPABI-QHCPKHFHSA-N 1 0 399.485 4.202 20 0 GIADRO Cc1[nH]c2ccccc2c1CC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000175025142 822869809 /nfs/dbraw/zinc/86/98/09/822869809.db2.gz CYEHLEGCGPJNRP-UHFFFAOYSA-N 1 0 375.516 4.142 20 0 GIADRO COCc1c2ccccc2oc1C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000054227258 822869816 /nfs/dbraw/zinc/86/98/16/822869816.db2.gz UWRGLMWAEOKAFC-WMZOPIPTSA-N 1 0 378.472 4.145 20 0 GIADRO CCCc1c(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)[nH]c(C)c1C(C)=O ZINC000054228245 822870073 /nfs/dbraw/zinc/87/00/73/822870073.db2.gz OARPJPIHZNEWDE-QFBILLFUSA-N 1 0 381.520 4.044 20 0 GIADRO Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N3CCC[C@@H]([NH3+])[C@H]3C)cc12 ZINC000457360130 822870253 /nfs/dbraw/zinc/87/02/53/822870253.db2.gz SKHNBIOTLTXLDE-MLGOLLRUSA-N 1 0 388.924 4.001 20 0 GIADRO COc1ccc(OCc2nc(C[NH2+]CCC[C@@H]3CCCCO3)cs2)cc1 ZINC000186284264 822870307 /nfs/dbraw/zinc/87/03/07/822870307.db2.gz CFGXAZWTTXJERE-SFHVURJKSA-N 1 0 376.522 4.170 20 0 GIADRO COc1ccccc1[C@H]1[C@@H]([NH3+])CCCN1C(=O)c1cccc(-c2ccoc2)c1 ZINC000457362293 822870433 /nfs/dbraw/zinc/87/04/33/822870433.db2.gz MKIGGCJSHAWVLO-UNMCSNQZSA-N 1 0 376.456 4.260 20 0 GIADRO [NH3+][C@@H]1CN(C(=O)c2[nH]c3ccc(F)cc3c2Cl)CC[C@@H]1c1ccc(F)cc1 ZINC000457363177 822870456 /nfs/dbraw/zinc/87/04/56/822870456.db2.gz AFHSMVIRBFWUHY-GDBMZVCRSA-N 1 0 389.833 4.057 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)Cc2c[nH]c3cc(Cl)ccc23)CC1 ZINC000175028099 822870586 /nfs/dbraw/zinc/87/05/86/822870586.db2.gz JJUYXHMIPOXHHZ-UHFFFAOYSA-N 1 0 395.934 4.487 20 0 GIADRO COc1ccc([C@H]2CCN(C(=O)c3cc4cc(C)c(C)cc4o3)C[C@@H]2[NH3+])cc1F ZINC000457364100 822870592 /nfs/dbraw/zinc/87/05/92/822870592.db2.gz AYGJLZLTUDNWQY-MJGOQNOKSA-N 1 0 396.462 4.154 20 0 GIADRO Cc1ccc(-c2cnc(CCC(=O)N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C(C)C)o2)cc1 ZINC000175030742 822870996 /nfs/dbraw/zinc/87/09/96/822870996.db2.gz IQBKIOGOKWKCDP-UXHICEINSA-N 1 0 381.520 4.056 20 0 GIADRO Cc1ccc(-c2nc(C)c(C(=O)N3CC[C@H](c4ccc(F)cc4)[C@@H]([NH3+])C3)s2)o1 ZINC000457369733 822870964 /nfs/dbraw/zinc/87/09/64/822870964.db2.gz MVROBFIIIVEGOC-SJORKVTESA-N 1 0 399.491 4.116 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)C[N@H+](Cc2ccccc2)C2CCCCC2)cc1 ZINC000054255914 822871323 /nfs/dbraw/zinc/87/13/23/822871323.db2.gz MFOLRVSIRWFNOV-UHFFFAOYSA-N 1 0 379.504 4.418 20 0 GIADRO CC[C@@H](c1cccc(OC)c1)N(C)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000569034063 822871456 /nfs/dbraw/zinc/87/14/56/822871456.db2.gz CCGLTVODAXOPMV-ZWKOTPCHSA-N 1 0 375.538 4.152 20 0 GIADRO C[C@H]([NH2+]CC(=O)N(C)C1CCCCC1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000175036102 822871572 /nfs/dbraw/zinc/87/15/72/822871572.db2.gz IPWFQLLSWLYLQQ-SFHVURJKSA-N 1 0 393.531 4.381 20 0 GIADRO [NH3+][C@@H]1CN(C(=O)c2cc(Cl)ccc2OC(F)F)CC[C@@H]1c1ccc(F)cc1 ZINC000457380931 822871611 /nfs/dbraw/zinc/87/16/11/822871611.db2.gz OXUVXOWBKSAPKB-GDBMZVCRSA-N 1 0 398.812 4.038 20 0 GIADRO Cc1nc(-c2ccccc2)sc1C(=O)N1CC[C@H](c2ccc(F)cc2)[C@H]([NH3+])C1 ZINC000457380104 822871722 /nfs/dbraw/zinc/87/17/22/822871722.db2.gz OKRVFFBVTYRYAR-RTBURBONSA-N 1 0 395.503 4.215 20 0 GIADRO Cc1ccccc1-c1nc(C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)cs1 ZINC000457384550 822871814 /nfs/dbraw/zinc/87/18/14/822871814.db2.gz RUEBCESOMZSCLA-MOPGFXCFSA-N 1 0 395.503 4.215 20 0 GIADRO Cc1cc(Br)c(C(=O)NCc2ccccc2C[NH+]2CCCC2)s1 ZINC000457384966 822871847 /nfs/dbraw/zinc/87/18/47/822871847.db2.gz HGNADBDOIQVTEQ-UHFFFAOYSA-N 1 0 393.350 4.345 20 0 GIADRO COc1ccc([C@@H]2CCN(C(=O)c3ccc(Cl)c(Cl)c3)C[C@@H]2[NH3+])cc1F ZINC000457386863 822871987 /nfs/dbraw/zinc/87/19/87/822871987.db2.gz UDOFMGZEEURQGN-GUYCJALGSA-N 1 0 397.277 4.098 20 0 GIADRO Cc1nc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)c(-c2ccccc2)o1 ZINC000569040952 822872228 /nfs/dbraw/zinc/87/22/28/822872228.db2.gz IGFIBYOSBLZVRH-OXQOHEQNSA-N 1 0 375.472 4.043 20 0 GIADRO Clc1ccccc1Cn1cc(C[NH2+]CCc2cn[nH]c2)c(-c2ccccc2)n1 ZINC000569040066 822872251 /nfs/dbraw/zinc/87/22/51/822872251.db2.gz SUTCFCBMBCZAKM-UHFFFAOYSA-N 1 0 391.906 4.307 20 0 GIADRO C[C@H](CCc1ccccc1)NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457394372 822872545 /nfs/dbraw/zinc/87/25/45/822872545.db2.gz AHHMYCMKZPQPLL-MRXNPFEDSA-N 1 0 385.474 4.066 20 0 GIADRO COc1ccc([C@@H]2CCN(C(=O)c3ccc(Cl)cc3Cl)C[C@@H]2[NH3+])cc1F ZINC000457392001 822872571 /nfs/dbraw/zinc/87/25/71/822872571.db2.gz YOCAVEPTSWSUTP-GUYCJALGSA-N 1 0 397.277 4.098 20 0 GIADRO COc1ccc([C@H]2CCN(C(=O)c3cc(Cl)cc(Cl)c3)C[C@@H]2[NH3+])cc1F ZINC000457393352 822872612 /nfs/dbraw/zinc/87/26/12/822872612.db2.gz ZGFRIDCHXMXZNH-WBVHZDCISA-N 1 0 397.277 4.098 20 0 GIADRO Cc1cc(Br)c(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)s1 ZINC000457396790 822872744 /nfs/dbraw/zinc/87/27/44/822872744.db2.gz VBQMCHYFMRPZMP-UHFFFAOYSA-N 1 0 393.350 4.345 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000175044024 822872845 /nfs/dbraw/zinc/87/28/45/822872845.db2.gz VMJVJHMLHYJNEO-MSOLQXFVSA-N 1 0 387.524 4.345 20 0 GIADRO Cc1ccc(C)c(NC(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000175047874 822873315 /nfs/dbraw/zinc/87/33/15/822873315.db2.gz WKFBOPACPPNVNW-UHFFFAOYSA-N 1 0 395.547 4.496 20 0 GIADRO CC[C@H](CC(F)F)C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000457406656 822873368 /nfs/dbraw/zinc/87/33/68/822873368.db2.gz UTIGUARLSBGYBZ-OAHLLOKOSA-N 1 0 392.412 4.421 20 0 GIADRO C[C@H](C[NH+]1CCCCCC1)NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000186304238 822873756 /nfs/dbraw/zinc/87/37/56/822873756.db2.gz QCBNEQYKOLUOEY-MRXNPFEDSA-N 1 0 389.927 4.308 20 0 GIADRO CCN(C(=O)c1cc(C2CC2)n(C(C)(C)C)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186316060 822875231 /nfs/dbraw/zinc/87/52/31/822875231.db2.gz PQQKWVVBWYWBRP-FQEVSTJZSA-N 1 0 394.563 4.252 20 0 GIADRO C[N@@H+]1CCN(CC(=O)Nc2ccccc2Cc2ccccc2)C2(CCCCC2)C1 ZINC000175058828 822875350 /nfs/dbraw/zinc/87/53/50/822875350.db2.gz VDJJRMUDCKDTDJ-UHFFFAOYSA-N 1 0 391.559 4.166 20 0 GIADRO C[C@H]1CN(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)[C@@H]1c1ccccc1 ZINC000175060406 822875601 /nfs/dbraw/zinc/87/56/01/822875601.db2.gz IJCVIYAKSTWYEG-CVDCTZTESA-N 1 0 377.532 4.096 20 0 GIADRO CCC(CC)c1cc(CNC(=O)NC2CC[NH+](CCc3ccccc3)CC2)on1 ZINC000175061437 822875905 /nfs/dbraw/zinc/87/59/05/822875905.db2.gz JMBXLGHVKMDKSE-UHFFFAOYSA-N 1 0 398.551 4.085 20 0 GIADRO Cc1ccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c(-c2nc(C3CC3)no2)c1 ZINC000175061840 822875908 /nfs/dbraw/zinc/87/59/08/822875908.db2.gz BEAPQCQLOGQNQM-ALOPSCKCSA-N 1 0 395.507 4.059 20 0 GIADRO O=C(CCN1CCC[N@H+](CC2CCCCC2)CC1)Nc1ccccc1Cl ZINC000054319110 822875915 /nfs/dbraw/zinc/87/59/15/822875915.db2.gz DCIRJSDDUPGZLC-UHFFFAOYSA-N 1 0 377.960 4.257 20 0 GIADRO COc1cc(C[NH2+]C[C@H]2CCCO[C@H]2C(C)C)ccc1OCc1ccncc1 ZINC000175062292 822876018 /nfs/dbraw/zinc/87/60/18/822876018.db2.gz WOZSDBGFEQSTMJ-OFNKIYASSA-N 1 0 384.520 4.210 20 0 GIADRO CC(C)C[C@H]1OCCC[C@H]1[NH2+]CC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000186325666 822876429 /nfs/dbraw/zinc/87/64/29/822876429.db2.gz AEMBTLXSJZNHKT-HUUCEWRRSA-N 1 0 392.849 4.481 20 0 GIADRO CCN(C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1)[C@H](C)c1cccnc1 ZINC000186329028 822876918 /nfs/dbraw/zinc/87/69/18/822876918.db2.gz NUBAEJDNEMFUSW-XMSQKQJNSA-N 1 0 380.536 4.085 20 0 GIADRO Cc1ccc(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)c(-c2nc(C3CC3)no2)c1 ZINC000175068524 822877074 /nfs/dbraw/zinc/87/70/74/822877074.db2.gz HRKYVNKUWWOKJA-KRWDZBQOSA-N 1 0 395.507 4.015 20 0 GIADRO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)N1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000457459384 822877142 /nfs/dbraw/zinc/87/71/42/822877142.db2.gz NBMKRWUNZBMPBA-FZKCQIBNSA-N 1 0 387.446 4.177 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c2ccccc2O1 ZINC000457459587 822877166 /nfs/dbraw/zinc/87/71/66/822877166.db2.gz XHKRYEJTJIVZSG-BHIYHBOVSA-N 1 0 383.492 4.018 20 0 GIADRO CC1(C)CN(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)[C@@H]1c1ccncc1 ZINC000457462945 822877508 /nfs/dbraw/zinc/87/75/08/822877508.db2.gz UHIBEUOVWQVTFT-PKOBYXMFSA-N 1 0 384.549 4.073 20 0 GIADRO Cc1nc(CN2CCC(C[NH2+][C@@H](C)c3csc(C(C)C)n3)CC2)oc1C ZINC000186334167 822877655 /nfs/dbraw/zinc/87/76/55/822877655.db2.gz HVWOUGZHSJWQHZ-HNNXBMFYSA-N 1 0 376.570 4.434 20 0 GIADRO O=C(c1ccc(Oc2cccc(F)c2)cn1)N1CCC([NH+]2CCCCC2)CC1 ZINC000457465782 822877787 /nfs/dbraw/zinc/87/77/87/822877787.db2.gz ARNZRZYDSVEWBD-UHFFFAOYSA-N 1 0 383.467 4.104 20 0 GIADRO O=C(Nc1ccc(OCC(F)(F)F)cc1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000569083091 822878167 /nfs/dbraw/zinc/87/81/67/822878167.db2.gz BEPWCWKWZSYKOC-WMLDXEAASA-N 1 0 385.430 4.014 20 0 GIADRO CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000186339000 822878209 /nfs/dbraw/zinc/87/82/09/822878209.db2.gz BNUQRFKJRYANBV-ZGIGLSJSSA-N 1 0 395.547 4.342 20 0 GIADRO CC1(C)[C@H]([NH2+]C2CCC(O)(c3cccnc3)CC2)C[C@@H]1OCc1ccccc1 ZINC000186338598 822878218 /nfs/dbraw/zinc/87/82/18/822878218.db2.gz WKLBMCLGUXRJEC-NLMCKWEYSA-N 1 0 380.532 4.185 20 0 GIADRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccc2c(c1)CCN2 ZINC000569083590 822878541 /nfs/dbraw/zinc/87/85/41/822878541.db2.gz CSWNXINXKAUYQH-NRFANRHFSA-N 1 0 378.520 4.077 20 0 GIADRO O=C(COC1CC[NH2+]CC1)N[C@H]1CCCCC[C@H]1c1ccccc1C(F)(F)F ZINC000569093243 822879576 /nfs/dbraw/zinc/87/95/76/822879576.db2.gz KPIQPWQMSAVQSH-HKUYNNGSSA-N 1 0 398.469 4.007 20 0 GIADRO CC[NH+](CC)[C@@H]1CCN(C(=O)NCc2ccccc2COCc2ccccc2)C1 ZINC000175088717 822880023 /nfs/dbraw/zinc/88/00/23/822880023.db2.gz SUEVDWLJWQBBEY-HSZRJFAPSA-N 1 0 395.547 4.029 20 0 GIADRO CCN(C(=O)c1cc(F)cc2cccnc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186354160 822880590 /nfs/dbraw/zinc/88/05/90/822880590.db2.gz RQHYWYWWKIQVJK-HXUWFJFHSA-N 1 0 377.463 4.111 20 0 GIADRO Cc1cc(Br)c(C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)s1 ZINC000457492870 822881481 /nfs/dbraw/zinc/88/14/81/822881481.db2.gz BRGRXLCJROXHQD-OAHLLOKOSA-N 1 0 381.339 4.160 20 0 GIADRO CN(Cc1cccc(F)c1)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000054393606 822881571 /nfs/dbraw/zinc/88/15/71/822881571.db2.gz CCZSQHPHGZFCIZ-UHFFFAOYSA-N 1 0 389.902 4.285 20 0 GIADRO COc1cc(NC(=O)C[NH2+][C@H](c2ccccc2)C(C)(C)C)cc(OC)c1OC ZINC000054396820 822881796 /nfs/dbraw/zinc/88/17/96/822881796.db2.gz QNRCIPQGVODGSL-OAQYLSRUSA-N 1 0 386.492 4.028 20 0 GIADRO Cc1cc(Br)c(F)cc1NC1CC[NH+](Cc2ccccn2)CC1 ZINC000186361262 822882055 /nfs/dbraw/zinc/88/20/55/822882055.db2.gz PAQJIWOXNBGIQR-UHFFFAOYSA-N 1 0 378.289 4.368 20 0 GIADRO Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000175103530 822882655 /nfs/dbraw/zinc/88/26/55/822882655.db2.gz DIBQMDDRXPMEIY-RLLQIKCJSA-N 1 0 385.577 4.464 20 0 GIADRO CC(C)C[C@H]1OCCC[C@H]1[NH2+]Cc1csc(CC(=O)Nc2ccccc2)n1 ZINC000186366969 822882805 /nfs/dbraw/zinc/88/28/05/822882805.db2.gz DHIVROXZQAXEEJ-RTBURBONSA-N 1 0 387.549 4.008 20 0 GIADRO CCC(=O)Nc1ccc(C)c(NC(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000054412266 822883409 /nfs/dbraw/zinc/88/34/09/822883409.db2.gz ALZHGWUAODRBDW-HZPDHXFCSA-N 1 0 388.556 4.222 20 0 GIADRO O=C(CC[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1)Nc1ccc2c(c1)OCO2 ZINC000054425344 822883893 /nfs/dbraw/zinc/88/38/93/822883893.db2.gz IQKWIBHDOPRALW-MRXNPFEDSA-N 1 0 395.484 4.191 20 0 GIADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000175109125 822884003 /nfs/dbraw/zinc/88/40/03/822884003.db2.gz ZLUFPIVWRFCUAA-UHFFFAOYSA-N 1 0 394.519 4.076 20 0 GIADRO COc1cc2[nH]c(CCC[NH2+][C@H]3CCCc4c(O)cccc43)cc2c(OC)c1 ZINC000569147400 822884047 /nfs/dbraw/zinc/88/40/47/822884047.db2.gz ZVIIZHQIASKIDQ-FQEVSTJZSA-N 1 0 380.488 4.491 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)N1Cc2cccc(F)c2C1 ZINC000457514728 822884186 /nfs/dbraw/zinc/88/41/86/822884186.db2.gz FRBLCOWEYAQJFE-UHFFFAOYSA-N 1 0 387.886 4.169 20 0 GIADRO CCC[N@H+](CC[S@@](=O)c1cc(Cl)ccc1Cl)C[C@@H]1CCCCO1 ZINC000569150435 822884639 /nfs/dbraw/zinc/88/46/39/822884639.db2.gz SLLGZFSVDJBVMO-NPMXOYFQSA-N 1 0 378.365 4.382 20 0 GIADRO CC1(C)OCc2cc(C[NH2+]C[C@@H](O)c3cccc(C(F)(F)F)c3)ccc2O1 ZINC000186382145 822885369 /nfs/dbraw/zinc/88/53/69/822885369.db2.gz NEUCZWGFXOYGED-QGZVFWFLSA-N 1 0 381.394 4.174 20 0 GIADRO COc1ccccc1[C@H](C[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1)OC(C)C ZINC000186384077 822885726 /nfs/dbraw/zinc/88/57/26/822885726.db2.gz IUOVNDWNQXPDLS-JTSKRJEESA-N 1 0 398.503 4.469 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N1CCC[C@@]2(CCSC2)C1 ZINC000457525696 822885782 /nfs/dbraw/zinc/88/57/82/822885782.db2.gz JWBIHNVMSGXOHX-JOCHJYFZSA-N 1 0 387.593 4.101 20 0 GIADRO Cc1nc([C@H]2CCCN2C(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)cs1 ZINC000186384743 822885903 /nfs/dbraw/zinc/88/59/03/822885903.db2.gz KAERVHKQEKAVDV-RLFYNMQTSA-N 1 0 378.586 4.055 20 0 GIADRO CC1(C)OCc2cc(C[NH2+]C[C@@H](O)c3c(Cl)cccc3Cl)ccc2O1 ZINC000186388817 822886333 /nfs/dbraw/zinc/88/63/33/822886333.db2.gz RFKZKJVNSLIOOJ-MRXNPFEDSA-N 1 0 382.287 4.462 20 0 GIADRO O=C(c1ccc(Oc2cccc(Cl)c2)cn1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000457530522 822886550 /nfs/dbraw/zinc/88/65/50/822886550.db2.gz ZEUHZJVJGBAEAK-KRWDZBQOSA-N 1 0 385.895 4.228 20 0 GIADRO C[C@H](Cc1cccc(F)c1)N(C)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000457532244 822886824 /nfs/dbraw/zinc/88/68/24/822886824.db2.gz HJEZYDANEBGCMX-GOSISDBHSA-N 1 0 383.511 4.194 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1cn2cc(Cl)ccc2n1)CC3 ZINC000569163807 822886786 /nfs/dbraw/zinc/88/67/86/822886786.db2.gz SQGNVQFAMOFTAZ-AWEZNQCLSA-N 1 0 380.879 4.125 20 0 GIADRO Cc1c2cccc(Cl)c2oc1C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000175126288 822887869 /nfs/dbraw/zinc/88/78/69/822887869.db2.gz DSARGNHEPOCXOI-UHFFFAOYSA-N 1 0 390.911 4.112 20 0 GIADRO Fc1ccccc1N1CC[C@@H](c2nc(-c3cccc(C[NH+]4CCCC4)c3)no2)C1 ZINC000569174539 822888660 /nfs/dbraw/zinc/88/86/60/822888660.db2.gz NTXSERBZBVDSLD-LJQANCHMSA-N 1 0 392.478 4.465 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NCc3ccc4c(c3)COC(C)(C)O4)cc2)CC1 ZINC000186404582 822889063 /nfs/dbraw/zinc/88/90/63/822889063.db2.gz MYJKLVYTOIOJED-UHFFFAOYSA-N 1 0 395.547 4.474 20 0 GIADRO O=C(c1ccc(Oc2cccc(Cl)c2)cn1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000457548535 822889264 /nfs/dbraw/zinc/88/92/64/822889264.db2.gz JORSXXSCZCLMCG-KRWDZBQOSA-N 1 0 385.895 4.228 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000457553968 822890289 /nfs/dbraw/zinc/89/02/89/822890289.db2.gz NVGJXRWADSYPKO-UHFFFAOYSA-N 1 0 385.455 4.040 20 0 GIADRO CCc1cnc(CN(Cc2ccncc2)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)o1 ZINC000569186016 822890384 /nfs/dbraw/zinc/89/03/84/822890384.db2.gz IYZNLJUYQSBTCE-JOCHJYFZSA-N 1 0 390.531 4.299 20 0 GIADRO COc1cc([C@H](C)[NH2+]CCc2cn(C)c3cc(F)ccc23)cc(OC)c1OC ZINC000186416323 822890903 /nfs/dbraw/zinc/89/09/03/822890903.db2.gz YGBFXIBPKMMWNR-AWEZNQCLSA-N 1 0 386.467 4.237 20 0 GIADRO Cc1cc(Br)c(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)s1 ZINC000457559292 822890983 /nfs/dbraw/zinc/89/09/83/822890983.db2.gz OVACLMNQXILQQR-GFCCVEGCSA-N 1 0 381.339 4.069 20 0 GIADRO CCC[N@@H+]1CC[C@H](CNC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)C1 ZINC000054509484 822891559 /nfs/dbraw/zinc/89/15/59/822891559.db2.gz YNCIHQLPBDKXQL-MRXNPFEDSA-N 1 0 383.458 4.111 20 0 GIADRO O=C(Cc1ccc(F)c(Br)c1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000054513360 822891794 /nfs/dbraw/zinc/89/17/94/822891794.db2.gz CTAXAVMEHQRWHB-UHFFFAOYSA-N 1 0 391.284 4.365 20 0 GIADRO CN(C(=O)N[C@@H](c1ccccc1)C1CC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457565544 822892195 /nfs/dbraw/zinc/89/21/95/822892195.db2.gz DAJNDRNKNMLGFY-SFHVURJKSA-N 1 0 383.458 4.196 20 0 GIADRO CCc1onc(C)c1NC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000569201701 822892305 /nfs/dbraw/zinc/89/23/05/822892305.db2.gz VLOQDFYTHKVZPM-UHFFFAOYSA-N 1 0 392.887 4.316 20 0 GIADRO Cc1nn2c(CNc3ccc4c(c3)[nH+]c(C)n4[C@@H](C)CO)c(C(C)C)nc2s1 ZINC000569205043 822892607 /nfs/dbraw/zinc/89/26/07/822892607.db2.gz RSYYXDQAJKJVIR-LBPRGKRZSA-N 1 0 398.536 4.046 20 0 GIADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccccc1CSC1=NCCS1 ZINC000175155294 822893647 /nfs/dbraw/zinc/89/36/47/822893647.db2.gz CXYHIPMBFXYFOY-KRWDZBQOSA-N 1 0 391.606 4.017 20 0 GIADRO Cc1nn(-c2ccc(Br)cc2)cc1-c1nc([C@H]([NH3+])CC(C)C)no1 ZINC000569221161 822894074 /nfs/dbraw/zinc/89/40/74/822894074.db2.gz IFFKCUBZATYYKP-OAHLLOKOSA-N 1 0 390.285 4.039 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)COCc2cccc(Cl)c2)[C@H]1c1cccs1 ZINC000457588814 822895389 /nfs/dbraw/zinc/89/53/89/822895389.db2.gz DFZMJDSTTMVIJT-JXFKEZNVSA-N 1 0 392.952 4.117 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)N[C@@H]1CCSc2ccc(F)cc21 ZINC000457591633 822895563 /nfs/dbraw/zinc/89/55/63/822895563.db2.gz XCUWSDPKOHJNEU-QGZVFWFLSA-N 1 0 393.553 4.198 20 0 GIADRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)[C@H]1CCCC[C@H]1C1CC1)c1ccccc1O2 ZINC000569245917 822895954 /nfs/dbraw/zinc/89/59/54/822895954.db2.gz TZLJMRDYXBHXHW-ZJOUEHCJSA-N 1 0 382.548 4.307 20 0 GIADRO CS[C@H]1CCN(C(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)C1 ZINC000457618448 822897722 /nfs/dbraw/zinc/89/77/22/822897722.db2.gz QDTYMJNQIHFQST-FQEVSTJZSA-N 1 0 383.561 4.062 20 0 GIADRO Fc1cc(C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)ccc1OCC(F)(F)F ZINC000186452272 822897803 /nfs/dbraw/zinc/89/78/03/822897803.db2.gz XPSXABRLGJJUCH-IBGZPJMESA-N 1 0 381.369 4.398 20 0 GIADRO CCOc1cccc(C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)c1OC(F)F ZINC000186452393 822898053 /nfs/dbraw/zinc/89/80/53/822898053.db2.gz CTTHOEBZQPPVHJ-NRFANRHFSA-N 1 0 375.415 4.318 20 0 GIADRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccccc3Br)CC2)n1 ZINC000569272543 822899232 /nfs/dbraw/zinc/89/92/32/822899232.db2.gz OCTGVVMXYLWXIG-UHFFFAOYSA-N 1 0 388.309 4.003 20 0 GIADRO CCC(=O)Nc1ccc(Cl)c(NC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)c1 ZINC000175182644 822899599 /nfs/dbraw/zinc/89/95/99/822899599.db2.gz XQVPKYYROQIIDB-INIZCTEOSA-N 1 0 392.931 4.075 20 0 GIADRO Cc1ccc(SC[C@@H](C)[NH2+][C@H](C)c2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000186471231 822900708 /nfs/dbraw/zinc/90/07/08/822900708.db2.gz YBVRVMBKBZVJJG-HZPDHXFCSA-N 1 0 378.563 4.198 20 0 GIADRO Cc1ccc(NC(=O)C(C)C)cc1NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000175198385 822902240 /nfs/dbraw/zinc/90/22/40/822902240.db2.gz DUMFBDPZRPFTKN-UHFFFAOYSA-N 1 0 386.540 4.118 20 0 GIADRO CCCCOc1ccc(C[N@@H+]2CCSC3(CCOCC3)C2)cc1OCC ZINC000186486002 822903234 /nfs/dbraw/zinc/90/32/34/822903234.db2.gz HEUNRMNJZQGSNT-UHFFFAOYSA-N 1 0 379.566 4.362 20 0 GIADRO Cc1cccc(CN(C)C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)n1 ZINC000457666936 822903616 /nfs/dbraw/zinc/90/36/16/822903616.db2.gz KXBGUZLOWGIKKW-HXUWFJFHSA-N 1 0 386.927 4.022 20 0 GIADRO C[C@H](CCc1n[nH]c2ccccc21)[NH2+]Cc1nc2c(cccc2Br)[nH]1 ZINC000569307010 822904992 /nfs/dbraw/zinc/90/49/92/822904992.db2.gz RPQNUNPUVNDESK-GFCCVEGCSA-N 1 0 398.308 4.313 20 0 GIADRO CC(C)Cn1ccnc1CNC(=O)Nc1cccc(Cn2ccnc2C(C)C)c1 ZINC000175217135 822906856 /nfs/dbraw/zinc/90/68/56/822906856.db2.gz BEDGKQALHZOLCH-UHFFFAOYSA-N 1 0 394.523 4.229 20 0 GIADRO O=C(Cc1ccccc1OC1CCCC1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000457690343 822907082 /nfs/dbraw/zinc/90/70/82/822907082.db2.gz XIXZTUZAMSEACR-SIKLNZKXSA-N 1 0 382.548 4.026 20 0 GIADRO CC(C)Oc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(Cl)c1 ZINC000457691672 822907533 /nfs/dbraw/zinc/90/75/33/822907533.db2.gz ZDFHBBRJMOERSE-YWZLYKJASA-N 1 0 376.928 4.216 20 0 GIADRO C[C@H](NC(=O)Cc1ccccc1OC1CCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000457694758 822907814 /nfs/dbraw/zinc/90/78/14/822907814.db2.gz JERGSKPIUANWSH-AZUAARDMSA-N 1 0 384.564 4.320 20 0 GIADRO COc1ccc2c(c1F)CC[C@H]2[NH2+]C[C@@H](CO)Cc1ccccc1C(F)(F)F ZINC000569326980 822908164 /nfs/dbraw/zinc/90/81/64/822908164.db2.gz FGYIJECJWCUMNY-SCLBCKFNSA-N 1 0 397.412 4.281 20 0 GIADRO O=C(Nc1cccc(Cl)c1-n1cccn1)NC1CC[NH+](C2CCCC2)CC1 ZINC000175222927 822908244 /nfs/dbraw/zinc/90/82/44/822908244.db2.gz NQEXDXFKTYGKDS-UHFFFAOYSA-N 1 0 387.915 4.054 20 0 GIADRO Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000569331243 822908715 /nfs/dbraw/zinc/90/87/15/822908715.db2.gz USIAWMBDQKHMNI-FQEVSTJZSA-N 1 0 379.504 4.484 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)N[C@H](C)c1ccc(C)s1)[NH+]1CCCC1 ZINC000054732361 822908878 /nfs/dbraw/zinc/90/88/78/822908878.db2.gz VEQPDPGHTCVGNJ-AEFFLSMTSA-N 1 0 387.549 4.262 20 0 GIADRO COc1cncc(/C=C\CC[NH2+][C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)c1 ZINC000569357742 822910822 /nfs/dbraw/zinc/91/08/22/822910822.db2.gz ZXYRALBJDXXYDU-ZDTYVGOBSA-N 1 0 382.439 4.342 20 0 GIADRO Cc1ccccc1COc1ccc([C@H](C)[NH2+][C@H](C)C2(S(C)(=O)=O)CC2)cc1 ZINC000569372442 822912380 /nfs/dbraw/zinc/91/23/80/822912380.db2.gz RQBJJHRBJRUDNA-ZWKOTPCHSA-N 1 0 387.545 4.190 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)N[C@@H]1CCCOc2ccc(F)cc21 ZINC000054785475 822913071 /nfs/dbraw/zinc/91/30/71/822913071.db2.gz GLSVQVXZPCPWMF-OAQYLSRUSA-N 1 0 397.494 4.135 20 0 GIADRO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)N1C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000457740804 822913212 /nfs/dbraw/zinc/91/32/12/822913212.db2.gz OVMMBXAQOALWCS-TWMKSMIVSA-N 1 0 377.495 4.259 20 0 GIADRO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)C1 ZINC000054806012 822914292 /nfs/dbraw/zinc/91/42/92/822914292.db2.gz FPXNQVXGHMNJQG-INIZCTEOSA-N 1 0 378.476 4.348 20 0 GIADRO CC(=O)NC1CCC([N@H+](C)CC(Cc2ccccc2)Cc2ccccc2)CC1 ZINC000569399411 822916777 /nfs/dbraw/zinc/91/67/77/822916777.db2.gz TWAVJYRURVMDIU-UHFFFAOYSA-N 1 0 378.560 4.467 20 0 GIADRO Cc1csc([C@@H](C)C[NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)n1 ZINC000186581336 822916908 /nfs/dbraw/zinc/91/69/08/822916908.db2.gz XKVKFSVXNCHETG-NWDGAFQWSA-N 1 0 396.354 4.324 20 0 GIADRO C[C@H](C(=O)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1)c1cc2ccccc2o1 ZINC000186583106 822917345 /nfs/dbraw/zinc/91/73/45/822917345.db2.gz MTWMHWJKXXUHLJ-FXAWDEMLSA-N 1 0 377.488 4.102 20 0 GIADRO Cc1nc(-c2ccc([C@@H](C)NC(=O)N(C)[C@@H]3CC[N@@H+](C(C)C)C3)cc2)cs1 ZINC000457772165 822917460 /nfs/dbraw/zinc/91/74/60/822917460.db2.gz JLSCPZCUHFNQTK-DNVCBOLYSA-N 1 0 386.565 4.304 20 0 GIADRO Cc1nc(-c2ccc([C@@H](C)NC(=O)N3CC[C@@]4(C3)CCC[N@H+](C)C4)cc2)cs1 ZINC000457772731 822917486 /nfs/dbraw/zinc/91/74/86/822917486.db2.gz JXUKNZKAHFXQKG-ZHRRBRCNSA-N 1 0 398.576 4.307 20 0 GIADRO COc1ccc([C@H]([NH2+]CC2CCC(C(F)(F)F)CC2)c2nccn2C)cc1 ZINC000186585460 822917867 /nfs/dbraw/zinc/91/78/67/822917867.db2.gz WSQOMABPBLIFLB-PVARCSIZSA-N 1 0 381.442 4.476 20 0 GIADRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)c3cncc(C(F)(F)F)c3)cc2)C1 ZINC000569407929 822918129 /nfs/dbraw/zinc/91/81/29/822918129.db2.gz VJPNYXZAWRJSEW-AWEZNQCLSA-N 1 0 393.409 4.073 20 0 GIADRO c1nc2ccccc2n1Cc1cccc(-c2noc([C@@H]3CCC[N@@H+]3C3CC3)n2)c1 ZINC000569412541 822918969 /nfs/dbraw/zinc/91/89/69/822918969.db2.gz DTRDAMQSXDTOQZ-NRFANRHFSA-N 1 0 385.471 4.434 20 0 GIADRO O=C(C[NH2+][C@@H](Cc1ccccc1)c1ccccc1)N1CCc2sccc2C1 ZINC000054866219 822918967 /nfs/dbraw/zinc/91/89/67/822918967.db2.gz QQZCKFNOSRSSIT-NRFANRHFSA-N 1 0 376.525 4.206 20 0 GIADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCC(F)(Cc2ccc(Cl)cc2)CC1 ZINC000457793000 822919750 /nfs/dbraw/zinc/91/97/50/822919750.db2.gz SMCSMOFLEMGPFD-MOPGFXCFSA-N 1 0 393.934 4.023 20 0 GIADRO Nc1nc(C[N@@H+]2CC[C@H](Cc3ccccc3)C2)nc2sc3c(c21)CCCC3 ZINC000569417445 822919910 /nfs/dbraw/zinc/91/99/10/822919910.db2.gz LZPPYJWWUTUUFC-MRXNPFEDSA-N 1 0 378.545 4.217 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](C)c1cccc(OC)c1 ZINC000175268126 822919874 /nfs/dbraw/zinc/91/98/74/822919874.db2.gz AMKUBWQAIJIXNV-PZJWPPBQSA-N 1 0 380.532 4.169 20 0 GIADRO O=C(N[C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000457790508 822919872 /nfs/dbraw/zinc/91/98/72/822919872.db2.gz QHCXZYZUSQBLRV-RNQOJCNYSA-N 1 0 375.944 4.292 20 0 GIADRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc(Br)co1 ZINC000457799037 822920355 /nfs/dbraw/zinc/92/03/55/822920355.db2.gz VSAXRNHUNRPFLW-KRWDZBQOSA-N 1 0 391.309 4.073 20 0 GIADRO Brc1cccc(N2CC[C@H](C[NH2+]C3CCC4(CCCO4)CC3)C2)c1 ZINC000569419853 822920505 /nfs/dbraw/zinc/92/05/05/822920505.db2.gz LFGKDKATFHSPGL-PPDQVPDSSA-N 1 0 393.369 4.357 20 0 GIADRO O=C(Nc1cccc(C[NH2+]Cc2cncc(Br)c2)c1)C1CCCC1 ZINC000186595891 822920596 /nfs/dbraw/zinc/92/05/96/822920596.db2.gz BFBDSALRFVPXMY-UHFFFAOYSA-N 1 0 388.309 4.263 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)N(C)[C@@H](C)c1ccccc1)[NH+]1CCCC1 ZINC000054920499 822922093 /nfs/dbraw/zinc/92/20/93/822922093.db2.gz JBLRRNNRKOQHTP-RXVVDRJESA-N 1 0 381.520 4.235 20 0 GIADRO O=S(=O)(CC[NH2+]CC1CCC(C(F)(F)F)CC1)c1ccc(Cl)cc1 ZINC000186608392 822923104 /nfs/dbraw/zinc/92/31/04/822923104.db2.gz NASFJJYUJFCLFG-UHFFFAOYSA-N 1 0 383.863 4.072 20 0 GIADRO CCCCc1ccc(NC(=S)NC2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000054941297 822923209 /nfs/dbraw/zinc/92/32/09/822923209.db2.gz IXXBHMAGKCKLBI-UHFFFAOYSA-N 1 0 382.577 4.375 20 0 GIADRO CSc1ccc(Cl)c(C(=O)N(Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c1 ZINC000186612104 822923535 /nfs/dbraw/zinc/92/35/35/822923535.db2.gz IFELKFRZAKSSFU-INIZCTEOSA-N 1 0 389.952 4.241 20 0 GIADRO CC[C@H]1CN(C(=O)Nc2c(C(C)C)cccc2C(C)C)CC[N@@H+]1C[C@@H](C)O ZINC000175283298 822923963 /nfs/dbraw/zinc/92/39/63/822923963.db2.gz KGYBVDUQJZULAP-MSOLQXFVSA-N 1 0 375.557 4.242 20 0 GIADRO CC[C@@H]([NH2+][C@@H](C)c1sc(Cc2ccc(OC)c(OC)c2)nc1C)C(C)(C)O ZINC000569442387 822923978 /nfs/dbraw/zinc/92/39/78/822923978.db2.gz KUPDAXRGGJFMSH-SCLBCKFNSA-N 1 0 392.565 4.260 20 0 GIADRO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]Cc1ccc(C(C)(C)O)cc1 ZINC000186620150 822924960 /nfs/dbraw/zinc/92/49/60/822924960.db2.gz XDXXHVFRYLAQLQ-MRXNPFEDSA-N 1 0 388.939 4.094 20 0 GIADRO Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+][C@H](C)c2ncc[nH]2)C1 ZINC000569464752 822926428 /nfs/dbraw/zinc/92/64/28/822926428.db2.gz BHAXDZWCBXDPSV-ZBFHGGJFSA-N 1 0 377.330 4.109 20 0 GIADRO CCCCOc1ccc([C@H](C)NC(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)cc1OC ZINC000457864732 822926647 /nfs/dbraw/zinc/92/66/47/822926647.db2.gz KBBVERBWEBSPIX-PKOBYXMFSA-N 1 0 391.556 4.059 20 0 GIADRO C[NH+](C)[C@@H](CNC(=S)Nc1ccc(OC(F)F)cc1)c1ccc(F)cc1 ZINC000054971374 822926638 /nfs/dbraw/zinc/92/66/38/822926638.db2.gz ORWGWRZUYQUHNQ-INIZCTEOSA-N 1 0 383.439 4.016 20 0 GIADRO CC[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccncc1 ZINC000175293525 822926804 /nfs/dbraw/zinc/92/68/04/822926804.db2.gz UPNIWXQLHOPTSQ-QIJUGHKUSA-N 1 0 380.536 4.227 20 0 GIADRO COc1ccc(-c2noc([C@@H]3CCC[N@H+](CCc4ccccc4)C3)n2)cc1OC ZINC000569470341 822926986 /nfs/dbraw/zinc/92/69/86/822926986.db2.gz ADXAHOYJBKEWIQ-LJQANCHMSA-N 1 0 393.487 4.176 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=S)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000054975270 822927067 /nfs/dbraw/zinc/92/70/67/822927067.db2.gz LPKSQKFLKRWJPK-UHFFFAOYSA-N 1 0 389.487 4.334 20 0 GIADRO CC(C)(C)c1ccccc1NC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000175295743 822927419 /nfs/dbraw/zinc/92/74/19/822927419.db2.gz NRZVIGHVUDVWLJ-UHFFFAOYSA-N 1 0 395.547 4.263 20 0 GIADRO Cc1cccc2nc(C3CCN(C(=O)NCC[C@@H](C)[NH+]4CCCCC4)CC3)oc21 ZINC000186639771 822927739 /nfs/dbraw/zinc/92/77/39/822927739.db2.gz SPLJPQYILBTBJD-GOSISDBHSA-N 1 0 398.551 4.290 20 0 GIADRO C[C@@H](CC(=O)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21)n1ccnc1 ZINC000569490237 822929053 /nfs/dbraw/zinc/92/90/53/822929053.db2.gz WAIMLQGWOPEKBO-BBRMVZONSA-N 1 0 384.480 4.291 20 0 GIADRO C[NH+](C)CCNC(=S)N(Cc1ccc(Cl)cc1)c1ccccc1Cl ZINC000054999926 822929228 /nfs/dbraw/zinc/92/92/28/822929228.db2.gz JTGXOMAWFSAYFJ-UHFFFAOYSA-N 1 0 382.360 4.436 20 0 GIADRO C[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000569499465 822930215 /nfs/dbraw/zinc/93/02/15/822930215.db2.gz UTKFTIROAGACKH-ZUZCIYMTSA-N 1 0 390.357 4.245 20 0 GIADRO COc1ccc(C(=O)C(C(=S)N[C@H](C)c2ccccc2)[n+]2ccccc2)cc1 ZINC000055013530 822931210 /nfs/dbraw/zinc/93/12/10/822931210.db2.gz UBPYYGUZKJUCSB-QGZVFWFLSA-O 1 0 391.516 4.272 20 0 GIADRO COc1ccc(NC(=O)c2ccc(C[NH+]3CCSCC3)cc2)cc1SC ZINC000457904027 822931742 /nfs/dbraw/zinc/93/17/42/822931742.db2.gz QUUBUSLGRRSRMF-UHFFFAOYSA-N 1 0 388.558 4.218 20 0 GIADRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc(Br)c(C)c2)cc1 ZINC000569511012 822931990 /nfs/dbraw/zinc/93/19/90/822931990.db2.gz AQACOHRSMXSOIJ-CQSZACIVSA-N 1 0 396.350 4.402 20 0 GIADRO C[C@H]1CN(c2ccccc2C[NH2+]CCc2ccc(OC(F)(F)F)cc2)CCO1 ZINC000569510757 822932107 /nfs/dbraw/zinc/93/21/07/822932107.db2.gz CNGXWTKWDLRALV-INIZCTEOSA-N 1 0 394.437 4.143 20 0 GIADRO O=C(Nc1ccccc1)NC1CC[NH+](Cc2cc(-c3ccc(F)cc3)no2)CC1 ZINC000055032597 822932804 /nfs/dbraw/zinc/93/28/04/822932804.db2.gz UIUADCACELCDHG-UHFFFAOYSA-N 1 0 394.450 4.267 20 0 GIADRO COc1cc(C[NH+]2CCC(C(=O)NCc3ccc(C)cc3)CC2)ccc1SC ZINC000175316122 822932961 /nfs/dbraw/zinc/93/29/61/822932961.db2.gz RSKPIXWXLBMNPV-UHFFFAOYSA-N 1 0 398.572 4.254 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(Oc2cccnc2)c(F)c1)c1ccc2c(c1)OCC(=O)N2 ZINC000569516598 822933080 /nfs/dbraw/zinc/93/30/80/822933080.db2.gz RGNUISVFOPPYJQ-AWEZNQCLSA-N 1 0 393.418 4.195 20 0 GIADRO CC[N@@H+]1CC[C@H](CNC(=O)Cc2c(C)nc3ccccc3c2-c2ccccc2)C1 ZINC000175317425 822933264 /nfs/dbraw/zinc/93/32/64/822933264.db2.gz ZMZHBXSEGZCVSH-LJQANCHMSA-N 1 0 387.527 4.211 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)N(C)[C@@H](C)c1cccs1)[NH+]1CCCC1 ZINC000055044791 822933920 /nfs/dbraw/zinc/93/39/20/822933920.db2.gz RRFKUGKOLPDZGZ-WMZOPIPTSA-N 1 0 387.549 4.296 20 0 GIADRO Oc1ccc(Br)c(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)c1 ZINC000569531871 822935291 /nfs/dbraw/zinc/93/52/91/822935291.db2.gz OCOFJMSEDFKSMQ-WSTZPKSXSA-N 1 0 388.305 4.159 20 0 GIADRO C[C@H](NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O)c1cccc2ccccc21 ZINC000569557295 822939463 /nfs/dbraw/zinc/93/94/63/822939463.db2.gz CACFFXLEQZUPCZ-QMZRJTEUSA-N 1 0 380.532 4.033 20 0 GIADRO COc1ccc2c(c1)oc(C(=O)N1C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C1)c2-c1ccccc1 ZINC000569567967 822941089 /nfs/dbraw/zinc/94/10/89/822941089.db2.gz WFSUIAOITOXYRJ-FFZOFVMBSA-N 1 0 390.483 4.308 20 0 GIADRO Cc1ccc2cccc(C(=O)Nc3nc4c(s3)C[N@@H+](C(C)(C)C)CC4)c2n1 ZINC000569570418 822941262 /nfs/dbraw/zinc/94/12/62/822941262.db2.gz SUKJNELSPVQFPE-UHFFFAOYSA-N 1 0 380.517 4.409 20 0 GIADRO COc1ccc([C@H](Nc2cccc(N3CCCCC3=O)c2)[C@H]2CCC[NH2+]2)cc1 ZINC000569591846 822943057 /nfs/dbraw/zinc/94/30/57/822943057.db2.gz BBJCFPANVFXULY-GGAORHGYSA-N 1 0 379.504 4.117 20 0 GIADRO C[NH+](C)CC(C)(C)CNC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 ZINC000055174298 822943236 /nfs/dbraw/zinc/94/32/36/822943236.db2.gz WQNPXNAMJYQDHW-UHFFFAOYSA-N 1 0 398.334 4.285 20 0 GIADRO CC(C)OC(=O)C[C@@H]([NH2+]Cc1cnc(-c2ccncc2)s1)c1ccccc1 ZINC000569611831 822944562 /nfs/dbraw/zinc/94/45/62/822944562.db2.gz OLTIZMRJTBYOAC-LJQANCHMSA-N 1 0 381.501 4.378 20 0 GIADRO COc1cc(C)c(NC(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)cc1F ZINC000186734089 822947035 /nfs/dbraw/zinc/94/70/35/822947035.db2.gz YOFWXBJZDFFVME-UHFFFAOYSA-N 1 0 395.425 4.017 20 0 GIADRO COC(=O)c1cc(C[NH2+][C@H](Cc2ccccc2)c2ccc(OC)cc2)c(C)o1 ZINC000569630737 822947575 /nfs/dbraw/zinc/94/75/75/822947575.db2.gz RORXPDANLVOVLL-OAQYLSRUSA-N 1 0 379.456 4.457 20 0 GIADRO COC(=O)N1CCC([C@@H](C)[NH2+][C@@H](C)CCc2ccc(OC(F)F)cc2)CC1 ZINC000186768272 822951963 /nfs/dbraw/zinc/95/19/63/822951963.db2.gz BPLDWZNDINWNFY-LSDHHAIUSA-N 1 0 384.467 4.066 20 0 GIADRO CCOc1ccc(C[N@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)cc1OCC ZINC000175381218 822952684 /nfs/dbraw/zinc/95/26/84/822952684.db2.gz CFFGWAPVKNXBTK-QMTYFTJSSA-N 1 0 375.534 4.414 20 0 GIADRO Cn1cncc1[C@@H]1C[C@H]([NH2+][C@@H](Cc2cccnc2)c2ccc(Cl)cc2)CCO1 ZINC000569666670 822952864 /nfs/dbraw/zinc/95/28/64/822952864.db2.gz QLOIPWLYLDUDJX-URVUXULASA-N 1 0 396.922 4.262 20 0 GIADRO CCOc1cc(C(=O)N(CC)Cc2ccc(C[NH+](C)C)cc2)cc(Cl)c1O ZINC000186773866 822953184 /nfs/dbraw/zinc/95/31/84/822953184.db2.gz GOJLSQHBXAVLGR-UHFFFAOYSA-N 1 0 390.911 4.168 20 0 GIADRO C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](C)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000569672224 822953290 /nfs/dbraw/zinc/95/32/90/822953290.db2.gz AIWLSMDIWIJTSD-RISCZKNCSA-N 1 0 382.348 4.252 20 0 GIADRO C[C@@H](CNC(=O)c1ccc2c[nH+]cn2c1)Sc1ccc(Br)cc1 ZINC000569675283 822953768 /nfs/dbraw/zinc/95/37/68/822953768.db2.gz BWXRGYYLJOJPOH-LBPRGKRZSA-N 1 0 390.306 4.007 20 0 GIADRO CN(C(=O)NCc1c(F)cccc1Cl)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458060723 822954579 /nfs/dbraw/zinc/95/45/79/822954579.db2.gz KQYKVZVBQMXLQN-UHFFFAOYSA-N 1 0 395.828 4.037 20 0 GIADRO Cc1oc(NC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)nc1C1CC1 ZINC000569680059 822954652 /nfs/dbraw/zinc/95/46/52/822954652.db2.gz JKSFVGRJMYQRSE-UHFFFAOYSA-N 1 0 388.899 4.300 20 0 GIADRO CCN(C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@H](C)Cc1ccsc1 ZINC000186783585 822954770 /nfs/dbraw/zinc/95/47/70/822954770.db2.gz WZQXGZHWSWBDSJ-AEFFLSMTSA-N 1 0 375.538 4.141 20 0 GIADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Nc1ccccc1CN1CCc2ccccc21 ZINC000175389754 822956133 /nfs/dbraw/zinc/95/61/33/822956133.db2.gz FWWVWOUMFMQBJI-LJQANCHMSA-N 1 0 392.547 4.055 20 0 GIADRO Cc1coc2ccc(NC(=O)N3CCC(CCC[NH+]4CCOCC4)CC3)cc12 ZINC000186798243 822957167 /nfs/dbraw/zinc/95/71/67/822957167.db2.gz BDNLJDQKLDRVLG-UHFFFAOYSA-N 1 0 385.508 4.098 20 0 GIADRO CC[C@H](NC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)c1ccncc1 ZINC000175393376 822957131 /nfs/dbraw/zinc/95/71/31/822957131.db2.gz BFBXQYJLCUCINK-AVRDEDQJSA-N 1 0 380.536 4.407 20 0 GIADRO Cc1cccc(CN(C)C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)n1 ZINC000458091386 822957317 /nfs/dbraw/zinc/95/73/17/822957317.db2.gz FUBZZCURQOCVAX-UHFFFAOYSA-N 1 0 380.536 4.108 20 0 GIADRO FC(F)(F)[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCO3)CC12CCC2 ZINC000569711929 822957716 /nfs/dbraw/zinc/95/77/16/822957716.db2.gz VHTNLSWZXOEPFX-KRWDZBQOSA-N 1 0 393.409 4.360 20 0 GIADRO CC(C)Cc1ccc([C@H](CNC(=O)N2CCC(OC(C)C)CC2)[NH+](C)C)cc1 ZINC000569726009 822959353 /nfs/dbraw/zinc/95/93/53/822959353.db2.gz QWCPUMGBZWJRNR-QFIPXVFZSA-N 1 0 389.584 4.087 20 0 GIADRO O=C([O-])c1c[nH+]c2ccccc2c1N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000569728917 822959670 /nfs/dbraw/zinc/95/96/70/822959670.db2.gz WXOHETVDCZOKHP-XMMPIXPASA-N 1 0 387.483 4.035 20 0 GIADRO COc1ccc2c(c1F)CC[C@@H]2[NH2+]Cc1c(C)nn(Cc2ccccc2)c1C ZINC000569735236 822960661 /nfs/dbraw/zinc/96/06/61/822960661.db2.gz PPDJWPWZDFFNOF-NRFANRHFSA-N 1 0 379.479 4.473 20 0 GIADRO COC[C@H]1CCCN(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CC1 ZINC000458128984 822960835 /nfs/dbraw/zinc/96/08/35/822960835.db2.gz HTORIFHXUXIYNS-QFIPXVFZSA-N 1 0 387.568 4.021 20 0 GIADRO CCCN(CC[NH+]1CCCCCC1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000569735796 822960920 /nfs/dbraw/zinc/96/09/20/822960920.db2.gz JUDFKWYJKASENS-UHFFFAOYSA-N 1 0 385.474 4.232 20 0 GIADRO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000175406661 822961081 /nfs/dbraw/zinc/96/10/81/822961081.db2.gz CIIOFVTWRVMPOD-HGRMPGJJSA-N 1 0 394.581 4.064 20 0 GIADRO O=C(c1cc2ccccc2n1Cc1ccccc1F)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000569738020 822961145 /nfs/dbraw/zinc/96/11/45/822961145.db2.gz QGNLZAVNFTZEBT-DEOSSOPVSA-N 1 0 391.490 4.044 20 0 GIADRO CC(C)Cc1ccc(-c2csc(NC(=O)c3conc3C(C)(C)[NH3+])n2)cc1 ZINC000569744042 822962444 /nfs/dbraw/zinc/96/24/44/822962444.db2.gz PUDGFISOSLEARP-UHFFFAOYSA-N 1 0 384.505 4.443 20 0 GIADRO CC[C@H]([NH2+][C@H]1CCCc2c(O)cccc21)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000569751948 822963657 /nfs/dbraw/zinc/96/36/57/822963657.db2.gz XAFFFTOEPNUUBF-FUDKSRODSA-N 1 0 376.504 4.327 20 0 GIADRO COc1cc(C)c(NC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)cc1F ZINC000186832964 822963960 /nfs/dbraw/zinc/96/39/60/822963960.db2.gz KNRAFKPFOMUORQ-QGZVFWFLSA-N 1 0 385.483 4.271 20 0 GIADRO CN1C(=O)CCc2cc(C[N@H+](C)Cc3ccc(Br)s3)ccc21 ZINC000186834028 822963966 /nfs/dbraw/zinc/96/39/66/822963966.db2.gz GYKQEDSUTCIZFV-UHFFFAOYSA-N 1 0 379.323 4.052 20 0 GIADRO C[C@@H]([NH2+][C@H]1C[C@H](c2ccc(Br)cc2)C1)c1ccc(-n2cnnn2)cc1 ZINC000569755090 822964123 /nfs/dbraw/zinc/96/41/23/822964123.db2.gz VQDBGYPEGUFJHA-MZMPZRCHSA-N 1 0 398.308 4.022 20 0 GIADRO Cc1nc(CSc2ccc(C(=O)NCC[C@@H]3CCC[N@@H+](C)C3)cc2)cs1 ZINC000458168640 822964513 /nfs/dbraw/zinc/96/45/13/822964513.db2.gz NOFHCTZWRIYZKL-INIZCTEOSA-N 1 0 389.590 4.206 20 0 GIADRO CC(=O)N/C(=C/c1ccccc1)C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000055458896 822965915 /nfs/dbraw/zinc/96/59/15/822965915.db2.gz CCJXYHFZTKQYHN-OZHVRZOASA-N 1 0 391.515 4.177 20 0 GIADRO CC(=O)N/C(=C/c1ccccc1)C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000055458902 822965925 /nfs/dbraw/zinc/96/59/25/822965925.db2.gz CCJXYHFZTKQYHN-RPNTZMPASA-N 1 0 391.515 4.177 20 0 GIADRO CCN(CC)C(=O)CCC1CC[NH+](Cc2cscc2Br)CC1 ZINC000569768355 822966069 /nfs/dbraw/zinc/96/60/69/822966069.db2.gz DDJRFXPKVUYOOE-UHFFFAOYSA-N 1 0 387.387 4.371 20 0 GIADRO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]C[C@H](c2ccccc2)C(F)(F)F)cc1 ZINC000186843699 822966270 /nfs/dbraw/zinc/96/62/70/822966270.db2.gz LVBJDZUTCCBAMO-MAUKXSAKSA-N 1 0 385.451 4.093 20 0 GIADRO CC(=O)c1cc(C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccc(C)s3)C2)ccc1C ZINC000569768854 822966309 /nfs/dbraw/zinc/96/63/09/822966309.db2.gz RXVMEXQAUYGFSW-SFHVURJKSA-N 1 0 384.545 4.162 20 0 GIADRO Cc1ccccc1[C@H](CC(F)(F)F)[NH2+]CCc1c(C)nc2ccccn2c1=O ZINC000569771378 822966515 /nfs/dbraw/zinc/96/65/15/822966515.db2.gz YVSJWAXHOCVEMU-SFHVURJKSA-N 1 0 389.421 4.137 20 0 GIADRO Cc1cc(C(=O)Nc2ccc(OCC[NH+](C)C)c(C)c2)c(Br)s1 ZINC000458189810 822966914 /nfs/dbraw/zinc/96/69/14/822966914.db2.gz DSYFJDLYVNDNTD-UHFFFAOYSA-N 1 0 397.338 4.320 20 0 GIADRO COc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H](c1ccccc1)C(F)(F)F ZINC000186847765 822967022 /nfs/dbraw/zinc/96/70/22/822967022.db2.gz KTLIDTZAZYOUSZ-GDBMZVCRSA-N 1 0 380.410 4.348 20 0 GIADRO CCc1c(C(=O)Nc2ccc(OCC[NH+](C)C)c(C)c2)cnn1C1CCCC1 ZINC000458194695 822967423 /nfs/dbraw/zinc/96/74/23/822967423.db2.gz DSYVKRWRLPLTJR-UHFFFAOYSA-N 1 0 384.524 4.062 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)F ZINC000458196970 822967679 /nfs/dbraw/zinc/96/76/79/822967679.db2.gz FEQJEFKLUKFUKO-IAGOWNOFSA-N 1 0 394.487 4.043 20 0 GIADRO COc1ccc([C@@H]([NH2+]Cc2ccc(-n3cncn3)c(F)c2)c2ccccc2)cc1 ZINC000055472353 822967849 /nfs/dbraw/zinc/96/78/49/822967849.db2.gz FTSAJGJWSIIJFR-QHCPKHFHSA-N 1 0 388.446 4.294 20 0 GIADRO Cc1csc(-c2cccc(C(=O)N(CC[NH+](C)C)Cc3ccsc3)c2)n1 ZINC000458207700 822968834 /nfs/dbraw/zinc/96/88/34/822968834.db2.gz WEHQHTFAGXKBEV-UHFFFAOYSA-N 1 0 385.558 4.384 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)C[N@@H+](C)[C@@H](C)[C@H](C)c2ccc(Cl)cc2)c1 ZINC000175437188 822968982 /nfs/dbraw/zinc/96/89/82/822968982.db2.gz QFUUZAYAHQWAEM-GJZGRUSLSA-N 1 0 387.911 4.361 20 0 GIADRO Cc1ccc(CNC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)nc1C ZINC000569787202 822969103 /nfs/dbraw/zinc/96/91/03/822969103.db2.gz ZJTTXQXYXSEIFQ-UHFFFAOYSA-N 1 0 380.536 4.074 20 0 GIADRO CCN(C(=O)Nc1cc(F)c(OC)cc1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186859627 822969439 /nfs/dbraw/zinc/96/94/39/822969439.db2.gz IFVYTSPPSYLQGJ-SFHVURJKSA-N 1 0 385.483 4.271 20 0 GIADRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)C[C@H]1CCC[C@@H]1C ZINC000186860070 822969793 /nfs/dbraw/zinc/96/97/93/822969793.db2.gz HRHSIRPTVDDGEE-IOMROCGXSA-N 1 0 380.536 4.403 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)c1ccc(CCC(F)(F)F)cc1 ZINC000458218801 822970184 /nfs/dbraw/zinc/97/01/84/822970184.db2.gz HOIJFOCJEGEBDJ-UHFFFAOYSA-N 1 0 384.467 4.447 20 0 GIADRO COCCC[NH+]1CCC(NC(=O)N2CC3(CCCCC3)[C@H]2c2ccccc2)CC1 ZINC000458230685 822971626 /nfs/dbraw/zinc/97/16/26/822971626.db2.gz GQMPGAIRAREBGB-JOCHJYFZSA-N 1 0 399.579 4.204 20 0 GIADRO COc1ccc([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CCC[C@H](N3CCCC3=O)C2)cc1F ZINC000569825028 822973118 /nfs/dbraw/zinc/97/31/18/822973118.db2.gz GRXMRZCGYNBKHU-JKBKZWBZSA-N 1 0 388.527 4.384 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]C[C@@H](C2CC2)N(C)Cc2ccccc2)cc1NC(C)=O ZINC000186880809 822973690 /nfs/dbraw/zinc/97/36/90/822973690.db2.gz ZYCPXEADCKHSNI-HXOBKFHXSA-N 1 0 395.547 4.215 20 0 GIADRO CC[C@H](Cc1ccccc1)NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458249969 822973777 /nfs/dbraw/zinc/97/37/77/822973777.db2.gz KBUWJCCCMSHEQP-QGZVFWFLSA-N 1 0 385.474 4.066 20 0 GIADRO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N(C)C1CC[NH+](C)CC1 ZINC000055527347 822974947 /nfs/dbraw/zinc/97/49/47/822974947.db2.gz GSJZQMUKMHREOQ-UHFFFAOYSA-N 1 0 397.466 4.304 20 0 GIADRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)C/C=C/c1ccccc1F)c1ccccc1O2 ZINC000175468237 822976521 /nfs/dbraw/zinc/97/65/21/822976521.db2.gz IDUFKUXOFBSJKD-HSTAZWAASA-N 1 0 394.490 4.333 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)Cc2c[nH]c3ccc(Cl)cc23)cc1F ZINC000458277689 822977152 /nfs/dbraw/zinc/97/71/52/822977152.db2.gz FGQCACCHVCDQJA-UHFFFAOYSA-N 1 0 389.858 4.082 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)Nc2c(C)cc(Br)cc2OC)CC1 ZINC000175485039 822980537 /nfs/dbraw/zinc/98/05/37/822980537.db2.gz DCIFBNLHNMMUPI-UHFFFAOYSA-N 1 0 398.345 4.010 20 0 GIADRO COc1cc(C[N@H+](CC2CCC2)[C@@H](C)CO)ccc1OCc1cccs1 ZINC000569889599 822981266 /nfs/dbraw/zinc/98/12/66/822981266.db2.gz WCTIQNCBKZCTIS-INIZCTEOSA-N 1 0 375.534 4.319 20 0 GIADRO Cc1cc2c(cc1C)[C@@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1F)CCS2 ZINC000186925410 822981321 /nfs/dbraw/zinc/98/13/21/822981321.db2.gz UWHXVGFDRSAWJY-AWEZNQCLSA-N 1 0 380.435 4.486 20 0 GIADRO COc1ccc(C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)cc1Br ZINC000458322736 822983046 /nfs/dbraw/zinc/98/30/46/822983046.db2.gz QWVKOBNHKPGURD-UHFFFAOYSA-N 1 0 377.282 4.080 20 0 GIADRO Cc1nc2ccc(C[NH2+]C3CCN(C(=O)NC4CCCCC4)CC3)cc2s1 ZINC000569904558 822984070 /nfs/dbraw/zinc/98/40/70/822984070.db2.gz WUCXNCMSZLYFAQ-UHFFFAOYSA-N 1 0 386.565 4.201 20 0 GIADRO O=C(Nc1ccnc(Sc2ccccn2)c1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000569909052 822984663 /nfs/dbraw/zinc/98/46/63/822984663.db2.gz GJWPGRTZCLKWOT-SJLPKXTDSA-N 1 0 397.548 4.014 20 0 GIADRO CCc1noc(C)c1C[NH2+]CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000569920042 822985826 /nfs/dbraw/zinc/98/58/26/822985826.db2.gz CYLWXEAFRGQMSQ-UHFFFAOYSA-N 1 0 379.460 4.456 20 0 GIADRO C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N(C)CC1([NH+](C)C)CCC1 ZINC000186955703 822986398 /nfs/dbraw/zinc/98/63/98/822986398.db2.gz BYXUBKMRAKTYTN-CYBMUJFWSA-N 1 0 382.430 4.233 20 0 GIADRO C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N(C)CC1([NH+](C)C)CCC1 ZINC000186956649 822986703 /nfs/dbraw/zinc/98/67/03/822986703.db2.gz BLHDWRGEHBKYPB-LBPRGKRZSA-N 1 0 391.865 4.102 20 0 GIADRO C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N(C)CC1([NH+](C)C)CCC1 ZINC000186956668 822986725 /nfs/dbraw/zinc/98/67/25/822986725.db2.gz BLHDWRGEHBKYPB-GFCCVEGCSA-N 1 0 391.865 4.102 20 0 GIADRO Cc1ccc(CN(C)C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)s1 ZINC000175510478 822987055 /nfs/dbraw/zinc/98/70/55/822987055.db2.gz AQSKFKWVTQIRIJ-QAPCUYQASA-N 1 0 377.579 4.343 20 0 GIADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1cc(C)nc2ccccc21 ZINC000175514301 822988272 /nfs/dbraw/zinc/98/82/72/822988272.db2.gz HHVODSQEHRGXSD-UHFFFAOYSA-N 1 0 381.442 4.280 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)NC2(c3ccccc3F)CC2)[C@@H]1c1cccs1 ZINC000175515147 822988510 /nfs/dbraw/zinc/98/85/10/822988510.db2.gz QCJXDEGKQOATQS-DNVCBOLYSA-N 1 0 387.524 4.259 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)N2CC3(CC3)c3ccccc32)[C@@H]1c1cccs1 ZINC000175517151 822989172 /nfs/dbraw/zinc/98/91/72/822989172.db2.gz JYQJTHAINAJKGT-OXQOHEQNSA-N 1 0 381.545 4.392 20 0 GIADRO CCCN(CC[NH+]1CCCCCC1)C(=O)Nc1ncc(C(F)(F)F)s1 ZINC000569962517 822990201 /nfs/dbraw/zinc/99/02/01/822990201.db2.gz BICYTVOKAANYAA-UHFFFAOYSA-N 1 0 378.464 4.282 20 0 GIADRO O=C(NC[C@@H](c1ccccc1)C(F)(F)F)NC1CC[NH+](C2CCCC2)CC1 ZINC000186973175 822990284 /nfs/dbraw/zinc/99/02/84/822990284.db2.gz GDZJUGAPUFBSGL-SFHVURJKSA-N 1 0 383.458 4.039 20 0 GIADRO Cc1cc(C(=O)N(C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)c(C)o1 ZINC000175532547 822992078 /nfs/dbraw/zinc/99/20/78/822992078.db2.gz SBDCKUXSMDVKTH-SFHVURJKSA-N 1 0 394.437 4.423 20 0 GIADRO C[NH+](C)CC1CCC(NC(=O)Nc2ccc(OC(F)F)c3cccnc23)CC1 ZINC000186983396 822992193 /nfs/dbraw/zinc/99/21/93/822992193.db2.gz ACLJBIPAAACQGK-UHFFFAOYSA-N 1 0 392.450 4.078 20 0 GIADRO O=C(Cc1c[nH]c2ncccc12)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000569976438 822992276 /nfs/dbraw/zinc/99/22/76/822992276.db2.gz LSZIQKYNUHSEBM-UHFFFAOYSA-N 1 0 394.544 4.322 20 0 GIADRO CC[C@H]([NH2+]CCCc1cnccc1C)c1ccccc1OCC(=O)N1CCCC1 ZINC000569980386 822992777 /nfs/dbraw/zinc/99/27/77/822992777.db2.gz CYYZSSCHSOCXDD-QFIPXVFZSA-N 1 0 395.547 4.065 20 0 GIADRO Cc1nc2ccccc2n1C1CC[NH+](CCC(=O)Nc2cccc(F)c2C)CC1 ZINC000569989244 822993972 /nfs/dbraw/zinc/99/39/72/822993972.db2.gz QJGGSFNKBCMCNW-UHFFFAOYSA-N 1 0 394.494 4.458 20 0 GIADRO COC1(C)CC[NH+]([C@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)CC1 ZINC000569995834 822994723 /nfs/dbraw/zinc/99/47/23/822994723.db2.gz OYKCCQIDWQGIGK-GOSISDBHSA-N 1 0 382.504 4.094 20 0 GIADRO CCC[N@@H+]1CC[C@H](CNC(=O)N(Cc2c(F)cccc2F)C2CCCC2)C1 ZINC000175554704 822996254 /nfs/dbraw/zinc/99/62/54/822996254.db2.gz GUWGDZNJFPGWMA-MRXNPFEDSA-N 1 0 379.495 4.151 20 0 GIADRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)c3cccc([C@H]4CCCOC4)c3)cccc21 ZINC000570018625 822997664 /nfs/dbraw/zinc/99/76/64/822997664.db2.gz FIQRKUBJMOJVSO-GHTZIAJQSA-N 1 0 380.488 4.218 20 0 GIADRO O=C(NCCCCC[NH+]1CCCCC1)N1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000175561152 822997855 /nfs/dbraw/zinc/99/78/55/822997855.db2.gz FVDIGXKPWTZIGG-OALUTQOASA-N 1 0 393.597 4.002 20 0 GIADRO CCCCCOc1ccc([C@H](C)[NH2+][C@H](C)C2CCS(=O)(=O)CC2)cc1OC ZINC000187016539 822998109 /nfs/dbraw/zinc/99/81/09/822998109.db2.gz JPTRCCXENSUECX-SJORKVTESA-N 1 0 397.581 4.128 20 0 GIADRO Cc1nn(C)c2ncc(C[NH2+][C@@H](c3ccccc3)C3(CO)CCCCC3)cc12 ZINC000570024126 822998332 /nfs/dbraw/zinc/99/83/32/822998332.db2.gz PTZDTLLVHBFQEM-NRFANRHFSA-N 1 0 378.520 4.050 20 0 GIADRO COc1ccc2cc(CNC(=O)NC3CC[NH+](C4CCCC4)CC3)ccc2c1 ZINC000175567323 822999186 /nfs/dbraw/zinc/99/91/86/822999186.db2.gz AQIWMFSNXNAJPN-UHFFFAOYSA-N 1 0 381.520 4.055 20 0 GIADRO CC(C)[C@H]([NH2+]C1CCN(CCC(F)(F)F)CC1)c1ccc2c(c1)OCCO2 ZINC000570042789 823000239 /nfs/dbraw/zinc/00/02/39/823000239.db2.gz MUIOAELONVYXLM-IBGZPJMESA-N 1 0 386.458 4.161 20 0 GIADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1 ZINC000187029686 823000629 /nfs/dbraw/zinc/00/06/29/823000629.db2.gz PATZICWTVQSECK-CQSZACIVSA-N 1 0 396.409 4.259 20 0 GIADRO Cc1csc([C@H](NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C2CC2)n1 ZINC000175585390 823002432 /nfs/dbraw/zinc/00/24/32/823002432.db2.gz XSTSIFVKTNSFDF-NSISKUIASA-N 1 0 398.576 4.255 20 0 GIADRO C[C@@H]([NH2+]C1CCN(c2ccccc2)CC1)c1ncc(Br)cc1F ZINC000187044823 823002964 /nfs/dbraw/zinc/00/29/64/823002964.db2.gz XGAPYFYWJZURPL-CYBMUJFWSA-N 1 0 378.289 4.303 20 0 GIADRO COCc1ccccc1CNC(=O)C[NH2+][C@H](C)c1ccc(F)c2ccccc21 ZINC000570076640 823003805 /nfs/dbraw/zinc/00/38/05/823003805.db2.gz CAOYKUJUVATDPP-MRXNPFEDSA-N 1 0 380.463 4.092 20 0 GIADRO CCO[C@H]1C[C@H]([NH2+]Cc2nnc(-c3ccc(Br)o3)o2)C1(CC)CC ZINC000187053393 823004250 /nfs/dbraw/zinc/00/42/50/823004250.db2.gz KXNLZVPASURATN-STQMWFEESA-N 1 0 398.301 4.166 20 0 GIADRO [NH3+][C@H]1CCc2nc(NC(=O)CCCc3ccc(Cl)c(Cl)c3)sc2C1 ZINC000570088727 823004817 /nfs/dbraw/zinc/00/48/17/823004817.db2.gz LDFQEQXLSQSCCG-NSHDSACASA-N 1 0 384.332 4.227 20 0 GIADRO CC(C)(C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)c1csc(-c2cccs2)n1 ZINC000570091828 823005120 /nfs/dbraw/zinc/00/51/20/823005120.db2.gz YFRHTMHMKCMRAM-HDJSIYSDSA-N 1 0 377.579 4.031 20 0 GIADRO CC[C@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccccc1OC(F)F ZINC000175611936 823006460 /nfs/dbraw/zinc/00/64/60/823006460.db2.gz ZUBWFPIEKIUYGP-SFHVURJKSA-N 1 0 395.494 4.445 20 0 GIADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)[C@@H](C)c1ccc(C(=O)C(C)C)cc1)c1ccco1 ZINC000570119032 823007476 /nfs/dbraw/zinc/00/74/76/823007476.db2.gz ASKAXIRVZWUQJB-ZWOKBUDYSA-N 1 0 384.520 4.467 20 0 GIADRO Cc1ccc(C(=O)NC2CC[NH+](Cc3ccc4nc(C)ccc4c3)CC2)s1 ZINC000187082334 823008212 /nfs/dbraw/zinc/00/82/12/823008212.db2.gz SQWKBJKMOFJUHQ-UHFFFAOYSA-N 1 0 379.529 4.308 20 0 GIADRO Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+](C)CCCn2ccnc2)o1 ZINC000570128968 823008440 /nfs/dbraw/zinc/00/84/40/823008440.db2.gz RPMWWVNPBJGNMC-UHFFFAOYSA-N 1 0 375.476 4.159 20 0 GIADRO COc1ccccc1[C@@H](CC(C)C)NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000175623033 823008522 /nfs/dbraw/zinc/00/85/22/823008522.db2.gz MQMMAPVPPAQPSC-OAQYLSRUSA-N 1 0 387.568 4.300 20 0 GIADRO Cc1nc(C)c([C@H](C)N(C)C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)s1 ZINC000175631108 823009891 /nfs/dbraw/zinc/00/98/91/823009891.db2.gz ZPVVVPNIFXTPJL-WBVHZDCISA-N 1 0 388.581 4.373 20 0 GIADRO COc1ccc([C@@H](C)CCNC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)cc1 ZINC000175637507 823010860 /nfs/dbraw/zinc/01/08/60/823010860.db2.gz NWOBOFGEVZYKBS-SFHVURJKSA-N 1 0 399.535 4.088 20 0 GIADRO CC1(C)C[C@@H](c2ccccc2)N(C(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)C1 ZINC000570156776 823011133 /nfs/dbraw/zinc/01/11/33/823011133.db2.gz LFXHYPJJHSJVKX-VXKWHMMOSA-N 1 0 377.532 4.293 20 0 GIADRO Cc1cccnc1CCc1noc([C@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)n1 ZINC000570163247 823011409 /nfs/dbraw/zinc/01/14/09/823011409.db2.gz FSJKSQAKMUFEEN-GOSISDBHSA-N 1 0 398.457 4.183 20 0 GIADRO COc1cc(C2(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)CC2)ccc1C ZINC000570164959 823011701 /nfs/dbraw/zinc/01/17/01/823011701.db2.gz ZDVBAEMETHERPS-DENIHFKCSA-N 1 0 392.543 4.062 20 0 GIADRO Cc1ccc([C@@H](CN[C@H](C)c2ncc(Br)cc2F)[NH+](C)C)cc1 ZINC000187109959 823011728 /nfs/dbraw/zinc/01/17/28/823011728.db2.gz WPQJTFSJIXRRFW-CXAGYDPISA-N 1 0 380.305 4.245 20 0 GIADRO C[C@@H](CCNC(=O)N1CCC(OC2CCCC2)CC1)[N@H+](C)Cc1ccccc1 ZINC000175644237 823011973 /nfs/dbraw/zinc/01/19/73/823011973.db2.gz MOXZCPGDAKHBKB-IBGZPJMESA-N 1 0 387.568 4.030 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH2+]CCc1nccn1Cc1ccccc1 ZINC000187115617 823012917 /nfs/dbraw/zinc/01/29/17/823012917.db2.gz FWACZQBBGBUIHZ-UHFFFAOYSA-N 1 0 398.510 4.334 20 0 GIADRO Cc1cccc(-c2nc(CC(=O)N(CC[NH+](C)C)Cc3cccs3)cs2)c1 ZINC000175651820 823013106 /nfs/dbraw/zinc/01/31/06/823013106.db2.gz IPKOOXQRLZSHRT-UHFFFAOYSA-N 1 0 399.585 4.313 20 0 GIADRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1ccc(C2SCCS2)cc1 ZINC000175653689 823013465 /nfs/dbraw/zinc/01/34/65/823013465.db2.gz HDQAVEMJJAUTMI-UHFFFAOYSA-N 1 0 392.615 4.431 20 0 GIADRO CCOC(=O)[C@H](NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000570190940 823013621 /nfs/dbraw/zinc/01/36/21/823013621.db2.gz XVWZPDQHIQYBJJ-AUSIDOKSSA-N 1 0 380.532 4.313 20 0 GIADRO C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000175654425 823013608 /nfs/dbraw/zinc/01/36/08/823013608.db2.gz DTXDHLBLRNYIOA-KSFYIVLOSA-N 1 0 399.510 4.348 20 0 GIADRO CN1c2ccc(C[NH2+]Cc3ccc(OCc4ccccc4)cc3)cc2CCC1=O ZINC000187126558 823014723 /nfs/dbraw/zinc/01/47/23/823014723.db2.gz GXVVDDPLFDPYHM-UHFFFAOYSA-N 1 0 386.495 4.464 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000187129531 823014988 /nfs/dbraw/zinc/01/49/88/823014988.db2.gz GLOOTBXIPROSNR-UHFFFAOYSA-N 1 0 388.515 4.432 20 0 GIADRO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000570204502 823015049 /nfs/dbraw/zinc/01/50/49/823015049.db2.gz GXUSBNXRSLEVDP-APWZRJJASA-N 1 0 383.923 4.112 20 0 GIADRO O=C(NCCc1csc(-c2ccccc2)n1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000175662406 823015155 /nfs/dbraw/zinc/01/51/55/823015155.db2.gz OXCXDZQEVAIDSG-UHFFFAOYSA-N 1 0 398.576 4.013 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2occc2Br)C1 ZINC000175668674 823016633 /nfs/dbraw/zinc/01/66/33/823016633.db2.gz NOKWFYHWBSMWJO-AWEZNQCLSA-N 1 0 391.309 4.204 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccc(NCc3ccc4c(c3)CCC(=O)N4C)cc2)C1 ZINC000187147574 823017557 /nfs/dbraw/zinc/01/75/57/823017557.db2.gz IHHFRIWLAIORHO-SFHVURJKSA-N 1 0 377.532 4.440 20 0 GIADRO O=C(NCc1nc(C[N@@H+]2CCC[C@]3(CC=CCC3)C2)cs1)c1ccccc1 ZINC000175674449 823017790 /nfs/dbraw/zinc/01/77/90/823017790.db2.gz MDJAGHBDHUBNFZ-JOCHJYFZSA-N 1 0 381.545 4.395 20 0 GIADRO Fc1cc([C@@H]2OCC[C@H]2c2nc(-c3ccn4c[nH+]cc4c3)no2)ccc1Cl ZINC000570246690 823018768 /nfs/dbraw/zinc/01/87/68/823018768.db2.gz SZTXSHYKKDZHLU-PBHICJAKSA-N 1 0 384.798 4.422 20 0 GIADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]C[C@H](C)COCc1ccccc1 ZINC000187158198 823018867 /nfs/dbraw/zinc/01/88/67/823018867.db2.gz VUWCFTYNICJYHU-INIZCTEOSA-N 1 0 395.952 4.076 20 0 GIADRO OC[C@H]1C[N@H+](Cc2ccc(-n3cnc4ccccc43)cc2)CC[C@@H]1C(F)(F)F ZINC000570247654 823018975 /nfs/dbraw/zinc/01/89/75/823018975.db2.gz HWQHEOXKWFGXLU-AEFFLSMTSA-N 1 0 389.421 4.018 20 0 GIADRO CC[NH+]1CCN(c2ccc(C(=O)Nc3ccc(COC(C)C)cc3)cc2)CC1 ZINC000175681480 823019377 /nfs/dbraw/zinc/01/93/77/823019377.db2.gz DIVNQMVHFTVNAM-UHFFFAOYSA-N 1 0 381.520 4.006 20 0 GIADRO COc1cc(-c2noc([C@@]3(F)CC[N@@H+](C(C)(C)C)C3)n2)ccc1OC(F)F ZINC000570250463 823019390 /nfs/dbraw/zinc/01/93/90/823019390.db2.gz FSSYVEGGTWUUIO-GOSISDBHSA-N 1 0 385.386 4.016 20 0 GIADRO C[C@@H](Cc1cccc(Br)c1)[NH2+]Cc1ccc2c(c1)CCC(=O)N2C ZINC000187163091 823019435 /nfs/dbraw/zinc/01/94/35/823019435.db2.gz XAEMWTRAUGPHJR-AWEZNQCLSA-N 1 0 387.321 4.079 20 0 GIADRO CC[N@H+](C)Cc1cccc(CN[C@H](C)c2ncc(Br)cc2F)c1 ZINC000187164357 823019720 /nfs/dbraw/zinc/01/97/20/823019720.db2.gz ZYILZNSQNVSWHM-CYBMUJFWSA-N 1 0 380.305 4.286 20 0 GIADRO O=C(N1CCC[C@H]([NH+]2CCCC2)CC1)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000187164681 823019751 /nfs/dbraw/zinc/01/97/51/823019751.db2.gz YYROHKAIGOXJQJ-SFHVURJKSA-N 1 0 398.444 4.353 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+][C@@H](C)C1CCS(=O)(=O)CC1 ZINC000187170267 823020403 /nfs/dbraw/zinc/02/04/03/823020403.db2.gz UWECHPTZPUCALB-QWHCGFSZSA-N 1 0 396.553 4.122 20 0 GIADRO CN1C(=O)CCc2cc(C[NH2+]Cc3ccc(Oc4cccc(F)c4)nc3)ccc21 ZINC000187176053 823020890 /nfs/dbraw/zinc/02/08/90/823020890.db2.gz DTSUQFMYTYODPM-UHFFFAOYSA-N 1 0 391.446 4.212 20 0 GIADRO C[C@H](NC(=O)c1cc(F)c(F)cc1Br)[C@@H](c1ccccc1)[NH+](C)C ZINC000187177310 823021053 /nfs/dbraw/zinc/02/10/53/823021053.db2.gz ICCYGATZQIEXPD-GTNSWQLSSA-N 1 0 397.263 4.149 20 0 GIADRO C[C@H](NC(=O)CS[C@@H](C)c1nc2ccccc2[nH]1)[C@@H](c1ccccc1)[NH+](C)C ZINC000187182212 823021713 /nfs/dbraw/zinc/02/17/13/823021713.db2.gz WQVMYIZPXGASCG-QYWGDWMGSA-N 1 0 396.560 4.165 20 0 GIADRO CC(C)C(=O)Nc1cccc(NC(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000175693907 823021916 /nfs/dbraw/zinc/02/19/16/823021916.db2.gz BAIVLLQNVZVBKB-SFHVURJKSA-N 1 0 396.535 4.313 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)[C@@H]3CC[C@H](C(F)(F)F)C3)C2)s1 ZINC000570286415 823022408 /nfs/dbraw/zinc/02/24/08/823022408.db2.gz SYSDYDIKRJTWQR-OAGGEKHMSA-N 1 0 388.499 4.315 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)C1(c2ccc(C(F)(F)F)cc2)CC1)c1cccs1 ZINC000187188458 823022625 /nfs/dbraw/zinc/02/26/25/823022625.db2.gz MJPAPQJHLGFHIA-OAHLLOKOSA-N 1 0 382.451 4.218 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)[C@H]2SCCc3sccc32)CC1 ZINC000175701468 823023414 /nfs/dbraw/zinc/02/34/14/823023414.db2.gz NUBIZBWTYBSECI-FQEVSTJZSA-N 1 0 386.586 4.202 20 0 GIADRO Cc1csc(Sc2ccc(NC(=O)N[C@H]3C[NH2+]CCC3(F)F)c(C)c2)n1 ZINC000570303665 823023956 /nfs/dbraw/zinc/02/39/56/823023956.db2.gz NUIPWNBKFOHVJZ-AWEZNQCLSA-N 1 0 398.504 4.030 20 0 GIADRO C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000570304482 823023986 /nfs/dbraw/zinc/02/39/86/823023986.db2.gz BFZYKGLIYRRPAK-SMDDNHRTSA-N 1 0 393.318 4.429 20 0 GIADRO CC(C)CC(=O)Nc1ccc(C(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc1F ZINC000187200605 823024085 /nfs/dbraw/zinc/02/40/85/823024085.db2.gz WYKQBLWNJHYBSQ-AOMKIAJQSA-N 1 0 399.510 4.232 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1cc2ccccc2o1 ZINC000175706670 823024421 /nfs/dbraw/zinc/02/44/21/823024421.db2.gz HVSZGZYSPGGKLB-HXUWFJFHSA-N 1 0 391.515 4.486 20 0 GIADRO C[C@H]([NH2+][C@H]1CCCN(c2ccccc2)C1)c1ncc(Br)cc1F ZINC000187208504 823025087 /nfs/dbraw/zinc/02/50/87/823025087.db2.gz BUQWHWPATDFBMR-ZFWWWQNUSA-N 1 0 378.289 4.303 20 0 GIADRO CC(C)Oc1ccc([C@H](O)C[NH2+][C@@H](C)c2ncc(Br)cc2F)cc1 ZINC000187215743 823026175 /nfs/dbraw/zinc/02/61/75/823026175.db2.gz VLQFFMHHPGLILX-YVEFUNNKSA-N 1 0 397.288 4.155 20 0 GIADRO Cc1nc(-c2ccc([C@H](C)NC(=O)C3C[C@H]4CCC[C@@H](C3)C4[NH3+])cc2)cs1 ZINC000570328931 823026313 /nfs/dbraw/zinc/02/63/13/823026313.db2.gz AKHQIABNYLGAPM-VCRQGPHUSA-N 1 0 383.561 4.449 20 0 GIADRO COC(=O)CC[C@@H]([NH2+]Cc1cccc(Br)c1OC)c1ccccc1 ZINC000187220674 823026733 /nfs/dbraw/zinc/02/67/33/823026733.db2.gz FRJMZLDDEQAUPW-QGZVFWFLSA-N 1 0 392.293 4.242 20 0 GIADRO Cc1cccc2nc(C3CCN(C(=O)NCCC[NH+]4CCC(C)CC4)CC3)oc21 ZINC000187224033 823027219 /nfs/dbraw/zinc/02/72/19/823027219.db2.gz WEFIKKGECKFMKP-UHFFFAOYSA-N 1 0 398.551 4.147 20 0 GIADRO C[N@H+](Cc1ccc(-c2ccc(Cl)cc2)o1)C1CCN(c2cnccn2)CC1 ZINC000570342385 823027179 /nfs/dbraw/zinc/02/71/79/823027179.db2.gz LYZPMFXBAAHBRO-UHFFFAOYSA-N 1 0 382.895 4.491 20 0 GIADRO CCN1CCC([NH+]2CCC(C(=O)Nc3ccc4c5c(cccc53)CC4)CC2)CC1 ZINC000570341383 823027268 /nfs/dbraw/zinc/02/72/68/823027268.db2.gz HCAQBNCOYAIJTO-UHFFFAOYSA-N 1 0 391.559 4.073 20 0 GIADRO C[C@@H](NC(=O)CCCc1ncc(-c2ccccc2)o1)[C@H](c1ccccc1)[NH+](C)C ZINC000187228140 823027828 /nfs/dbraw/zinc/02/78/28/823027828.db2.gz QANLGNHWJRGSME-HOYKHHGWSA-N 1 0 391.515 4.472 20 0 GIADRO CC(C)(C)[C@@H](NC(=O)NC1CC[NH+](Cc2ccccn2)CC1)c1cccc(F)c1 ZINC000175729716 823028011 /nfs/dbraw/zinc/02/80/11/823028011.db2.gz AGUVKYZJTBPKSH-NRFANRHFSA-N 1 0 398.526 4.272 20 0 GIADRO CCSc1ccc([C@H](C)NC(=O)N2CCC(OCCC[NH+](C)C)CC2)cc1 ZINC000175729975 823028167 /nfs/dbraw/zinc/02/81/67/823028167.db2.gz HUFXQTGYAXOBTM-KRWDZBQOSA-N 1 0 393.597 4.002 20 0 GIADRO CCC[N@H+](CC)CCNC(=O)Nc1cc(NC(=O)Nc2ccccc2)ccc1C ZINC000175731612 823028289 /nfs/dbraw/zinc/02/82/89/823028289.db2.gz SRVDYEGCBMBZPE-UHFFFAOYSA-N 1 0 397.523 4.492 20 0 GIADRO C[C@H]([NH2+]C[C@H]1CCCN(C)[C@H]1c1cccs1)c1cccc(-n2ccnn2)c1 ZINC000570353873 823028262 /nfs/dbraw/zinc/02/82/62/823028262.db2.gz DLPQUEQYLQCGLV-YRISNDGFSA-N 1 0 381.549 4.063 20 0 GIADRO CCCC[NH+]1CCC(NC(=O)Nc2cccc(Cl)c2OCCOCC)CC1 ZINC000175731418 823028354 /nfs/dbraw/zinc/02/83/54/823028354.db2.gz URKMFEFYILXZOG-UHFFFAOYSA-N 1 0 397.947 4.141 20 0 GIADRO CC[C@@H](C)[NH2+][C@H](CNC(=O)Nc1cccc(-c2nccc(C)n2)c1)c1ccco1 ZINC000570354581 823028422 /nfs/dbraw/zinc/02/84/22/823028422.db2.gz UWAVJIRBAHGUAN-DNVCBOLYSA-N 1 0 393.491 4.296 20 0 GIADRO C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)N3CC[C@H]([NH+]4CC=CC4)C3)c2)C1 ZINC000175732683 823028693 /nfs/dbraw/zinc/02/86/93/823028693.db2.gz SMGKNTCDXCNTEM-BVYCBKJFSA-N 1 0 383.536 4.260 20 0 GIADRO C[N@H+](C[C@@H](O)c1ccc(F)cc1Cl)C1CCN(Cc2ccccc2)CC1 ZINC000187256855 823031457 /nfs/dbraw/zinc/03/14/57/823031457.db2.gz MIWMXIGLWFMAKJ-OAQYLSRUSA-N 1 0 376.903 4.109 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000187261802 823032378 /nfs/dbraw/zinc/03/23/78/823032378.db2.gz BWQVHBWGUBDRSP-UHFFFAOYSA-N 1 0 376.422 4.115 20 0 GIADRO Cc1ccccc1[C@H](CC(C)C)NC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000175759675 823033163 /nfs/dbraw/zinc/03/31/63/823033163.db2.gz RGUOEVVIDBIZTJ-QFIPXVFZSA-N 1 0 389.584 4.225 20 0 GIADRO C[C@H]([NH2+]C1(CNC(=O)NC2CC(C(C)(C)C)C2)CCOCC1)c1ccccc1 ZINC000458376246 823034174 /nfs/dbraw/zinc/03/41/74/823034174.db2.gz QCZOODMOPJPNFT-KKXNLOMOSA-N 1 0 387.568 4.010 20 0 GIADRO CCCOc1ccccc1[C@@H](CC(C)C)[NH2+][C@@H](C)C1CCS(=O)(=O)CC1 ZINC000187271380 823034370 /nfs/dbraw/zinc/03/43/70/823034370.db2.gz JCJJSXQKFSOCFX-FXAWDEMLSA-N 1 0 381.582 4.366 20 0 GIADRO C[C@H](c1ccco1)N(C(=O)NC1CC[NH+](CCc2ccccc2)CC1)C1CC1 ZINC000175764616 823034534 /nfs/dbraw/zinc/03/45/34/823034534.db2.gz WJPUHLLHRBVUGA-GOSISDBHSA-N 1 0 381.520 4.222 20 0 GIADRO O=C(NC1CCC(C(F)F)CC1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000458382188 823034728 /nfs/dbraw/zinc/03/47/28/823034728.db2.gz QSHLZFQRGAZALM-DXTJYYCRSA-N 1 0 391.506 4.305 20 0 GIADRO Cc1ccc([C@H]2OCCC[C@H]2C[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)cc1 ZINC000187273577 823034952 /nfs/dbraw/zinc/03/49/52/823034952.db2.gz ZXLDVPQVYOIIJM-XUZZJYLKSA-N 1 0 378.516 4.162 20 0 GIADRO CC[C@@](C)([NH2+]C[C@@H](O)c1ccc(F)c(Br)c1)c1nc(C)cs1 ZINC000187275060 823035426 /nfs/dbraw/zinc/03/54/26/823035426.db2.gz PTTZDZCSVSDPND-GDBMZVCRSA-N 1 0 387.318 4.302 20 0 GIADRO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)N1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000458388780 823035452 /nfs/dbraw/zinc/03/54/52/823035452.db2.gz GRARXMZRNVDCNE-GZBFAFLISA-N 1 0 389.437 4.148 20 0 GIADRO O=C(NCC1CC[NH2+]CC1)Nc1cc(Cl)ccc1SCC(F)(F)F ZINC000570423037 823036143 /nfs/dbraw/zinc/03/61/43/823036143.db2.gz LLHUSABNLRCLOP-UHFFFAOYSA-N 1 0 381.851 4.116 20 0 GIADRO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@@H]1C[C@H]2OCCC[C@H]12 ZINC000187285151 823036846 /nfs/dbraw/zinc/03/68/46/823036846.db2.gz MBYFLEWNNSYLEA-QTDMDRALSA-N 1 0 390.833 4.233 20 0 GIADRO CSc1ccc([C@H](CNC(=O)NCc2ccc3ccccc3n2)[NH+](C)C)cc1 ZINC000458400502 823036898 /nfs/dbraw/zinc/03/68/98/823036898.db2.gz GWTSZHQDUAGXRZ-NRFANRHFSA-N 1 0 394.544 4.059 20 0 GIADRO CN(C(=O)NCC(C)(C)Cc1ccccc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458404960 823037127 /nfs/dbraw/zinc/03/71/27/823037127.db2.gz UKNWGWXDDLBJNI-UHFFFAOYSA-N 1 0 399.501 4.314 20 0 GIADRO CN(C(=O)N[C@H](Cc1ccccc1)C1CC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458404037 823037139 /nfs/dbraw/zinc/03/71/39/823037139.db2.gz AYBJYLJNYJETQV-LJQANCHMSA-N 1 0 397.485 4.066 20 0 GIADRO C[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)[C@H]1C ZINC000458404227 823037154 /nfs/dbraw/zinc/03/71/54/823037154.db2.gz STTPRFPNBBBVIB-YQYZPQCESA-N 1 0 383.458 4.138 20 0 GIADRO Cc1nc(-c2cccc(NC(=O)NCC[C@H](C)[N@H+](C)Cc3ccccc3)c2)no1 ZINC000175780043 823038426 /nfs/dbraw/zinc/03/84/26/823038426.db2.gz BYAOPCOXFXSSKB-INIZCTEOSA-N 1 0 393.491 4.077 20 0 GIADRO C[C@@H]([NH2+]C1CCN(c2cccs2)CC1)c1ncc(Br)cc1F ZINC000187295361 823038540 /nfs/dbraw/zinc/03/85/40/823038540.db2.gz UNFAXVLKCZGOSJ-LLVKDONJSA-N 1 0 384.318 4.364 20 0 GIADRO CCOCCC1(C[NH2+]Cc2cccc(Cl)c2S(=O)(=O)CC)CCCC1 ZINC000187300240 823039571 /nfs/dbraw/zinc/03/95/71/823039571.db2.gz SAGVLUHIBVISSO-UHFFFAOYSA-N 1 0 387.973 4.210 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)N2CC(C)(C)[C@H]2c2ccncc2)[C@@H]1c1cccs1 ZINC000458436832 823040312 /nfs/dbraw/zinc/04/03/12/823040312.db2.gz RNNKXLOYFGGVKN-MISYRCLQSA-N 1 0 398.576 4.319 20 0 GIADRO CC(C)Cn1ncnc1C[NH2+][C@@H]1CCN(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000570458733 823040834 /nfs/dbraw/zinc/04/08/34/823040834.db2.gz AKCFRDDBXFNBLZ-QUCCMNQESA-N 1 0 393.938 4.040 20 0 GIADRO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)N1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000458442589 823041031 /nfs/dbraw/zinc/04/10/31/823041031.db2.gz TTXQPUDMIDTSCA-BBWFWOEESA-N 1 0 377.495 4.404 20 0 GIADRO Cc1ccc(C[C@H](C)NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)s1 ZINC000458444652 823041141 /nfs/dbraw/zinc/04/11/41/823041141.db2.gz UKGPLYMMLXNTEV-ZDUSSCGKSA-N 1 0 391.503 4.046 20 0 GIADRO C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@@H](C)c1ncc(Br)cc1F ZINC000187313069 823041837 /nfs/dbraw/zinc/04/18/37/823041837.db2.gz YWMGAJVOMFHQOV-GDLVEWKHSA-N 1 0 385.252 4.285 20 0 GIADRO CC[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccsc1)c1ccc(F)cc1F ZINC000458450241 823042053 /nfs/dbraw/zinc/04/20/53/823042053.db2.gz ZDHPQZGUOIUFRZ-SFHVURJKSA-N 1 0 381.492 4.251 20 0 GIADRO C[C@H](NC(=O)c1cc(NC(=O)CC(C)(C)C)ccc1Cl)C(C)(C)C[NH+](C)C ZINC000175796493 823042532 /nfs/dbraw/zinc/04/25/32/823042532.db2.gz SQFXKAKWDYPTBK-AWEZNQCLSA-N 1 0 395.975 4.421 20 0 GIADRO COc1ccc(OCc2nc(C[NH2+]CC3(CCO)CCCCC3)cs2)cc1 ZINC000175801522 823043761 /nfs/dbraw/zinc/04/37/61/823043761.db2.gz SCAMATOPASXFSJ-UHFFFAOYSA-N 1 0 390.549 4.153 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)Nc1ccccc1OC(F)F ZINC000123803016 823542165 /nfs/dbraw/zinc/54/21/65/823542165.db2.gz AZHUGKSPDRCETM-OAHLLOKOSA-N 1 0 379.407 4.230 20 0 GIADRO CCCc1noc2nc(C3CC3)cc(C(=O)NCCCC[N@@H+]3CCC[C@@H](C)C3)c12 ZINC000060567200 823543164 /nfs/dbraw/zinc/54/31/64/823543164.db2.gz QSAJQCDYZBMTSA-MRXNPFEDSA-N 1 0 398.551 4.295 20 0 GIADRO CC(C)(C)N(Cc1ccccc1)C(=O)CN1CC[NH+](CC2CCCCC2)CC1 ZINC000060569197 823543381 /nfs/dbraw/zinc/54/33/81/823543381.db2.gz LLZUJBLPVYGMIJ-UHFFFAOYSA-N 1 0 385.596 4.012 20 0 GIADRO O=C1CCCN1Cc1ccccc1C[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000177899140 823543574 /nfs/dbraw/zinc/54/35/74/823543574.db2.gz WKTRMYPXAKNXPR-FQEVSTJZSA-N 1 0 384.907 4.466 20 0 GIADRO C[N@@H+]1CC[C@@H](CNC(=O)C2CCC(F)(F)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123825358 823543605 /nfs/dbraw/zinc/54/36/05/823543605.db2.gz YESVOQJAIQVROZ-YOEHRIQHSA-N 1 0 388.861 4.414 20 0 GIADRO C[C@H]([NH2+]CCOc1ccc(C(F)(F)F)cc1)c1ccc(N2CCOC2=O)cc1 ZINC000177902810 823543990 /nfs/dbraw/zinc/54/39/90/823543990.db2.gz IJAZRYZRIUPQNC-AWEZNQCLSA-N 1 0 394.393 4.392 20 0 GIADRO CC1CC[NH+](CCCCNC(=O)COc2ccccc2-c2ccccc2)CC1 ZINC000060577319 823544113 /nfs/dbraw/zinc/54/41/13/823544113.db2.gz PPLPDWPWRMJJTC-UHFFFAOYSA-N 1 0 380.532 4.361 20 0 GIADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc(Cl)ccc1Br ZINC000123846490 823545125 /nfs/dbraw/zinc/54/51/25/823545125.db2.gz BAIRHDNSMIGCTI-GFCCVEGCSA-N 1 0 375.738 4.343 20 0 GIADRO O=C(CCC1CCOCC1)N(CCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000411096641 823545193 /nfs/dbraw/zinc/54/51/93/823545193.db2.gz APIJXZHAMPFBCI-UHFFFAOYSA-N 1 0 378.944 4.366 20 0 GIADRO C[C@H](NC1CC[NH+](C(C)(C)C)CC1)c1cc2c(cc1Br)OCCO2 ZINC000177915186 823545669 /nfs/dbraw/zinc/54/56/69/823545669.db2.gz VCYUQNZCDVITCP-ZDUSSCGKSA-N 1 0 397.357 4.134 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+]CCOc2ccccc2Br)c1 ZINC000177919214 823546346 /nfs/dbraw/zinc/54/63/46/823546346.db2.gz ROPUIFJRYTYNIT-ZDUSSCGKSA-N 1 0 377.282 4.137 20 0 GIADRO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000177921736 823546607 /nfs/dbraw/zinc/54/66/07/823546607.db2.gz CQPDHVPTRFRHOF-CEXWTWQISA-N 1 0 396.531 4.104 20 0 GIADRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+][C@@H]3CC(C)(C)c4ccccc43)cc2)C[C@H](C)O1 ZINC000177922733 823546704 /nfs/dbraw/zinc/54/67/04/823546704.db2.gz DRYVHJPWANNMJO-IEGUWTFLSA-N 1 0 392.543 4.448 20 0 GIADRO Cc1cc(=O)[nH]c([C@H](C)[N@@H+]2CCC[C@H](c3nc4ccccc4n3C(C)C)C2)n1 ZINC000177922501 823546715 /nfs/dbraw/zinc/54/67/15/823546715.db2.gz ZPIADMBJJRRRSU-IRXDYDNUSA-N 1 0 379.508 4.362 20 0 GIADRO C[C@@H]1C[C@@H](C(=O)N(CCC[NH+]2CCCC2)c2ccc(Cl)cc2)CCC1=O ZINC000411103949 823546693 /nfs/dbraw/zinc/54/66/93/823546693.db2.gz RMBBKMRHQPHEPE-SJORKVTESA-N 1 0 376.928 4.164 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000177923866 823546873 /nfs/dbraw/zinc/54/68/73/823546873.db2.gz DFCLKPIOOTVTDX-OTWHNJEPSA-N 1 0 396.531 4.186 20 0 GIADRO CCc1noc(C)c1C(=O)N(CCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000411104507 823546924 /nfs/dbraw/zinc/54/69/24/823546924.db2.gz UAXCOJPIEYYXPR-UHFFFAOYSA-N 1 0 375.900 4.332 20 0 GIADRO C[C@H]1CC(C(=O)N(CCC[NH+]2CCCC2)c2ccc(Cl)cc2)C[C@H](C)O1 ZINC000411105729 823547254 /nfs/dbraw/zinc/54/72/54/823547254.db2.gz YIHZJBUTQDPDMT-IRXDYDNUSA-N 1 0 378.944 4.363 20 0 GIADRO COc1ccc(CC[C@H](C)[NH2+]Cc2ccc(Cn3ccccc3=O)cc2)cc1 ZINC000177929498 823547561 /nfs/dbraw/zinc/54/75/61/823547561.db2.gz BRWPDBJGLHSSOM-IBGZPJMESA-N 1 0 376.500 4.016 20 0 GIADRO CCc1nc2c(s1)[C@@H]([NH2+]Cc1ccc(Cn3ccccc3=O)cc1)CCC2 ZINC000177930528 823547581 /nfs/dbraw/zinc/54/75/81/823547581.db2.gz HSVRQDZURMUPSG-SFHVURJKSA-N 1 0 379.529 4.083 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)N[C@H](C)Cc1ccsc1)c1cccc(OC)c1 ZINC000060609758 823547642 /nfs/dbraw/zinc/54/76/42/823547642.db2.gz FNROFKCUTIZVCA-UZLBHIALSA-N 1 0 389.565 4.070 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)c1C ZINC000123868432 823547707 /nfs/dbraw/zinc/54/77/07/823547707.db2.gz FEMPJYCOKPVTMV-UHFFFAOYSA-N 1 0 394.519 4.048 20 0 GIADRO C[C@H](C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(F)c(F)c1 ZINC000460943854 823547710 /nfs/dbraw/zinc/54/77/10/823547710.db2.gz ONNBCHZQELGCJN-LSDHHAIUSA-N 1 0 378.488 4.158 20 0 GIADRO COc1ccc([C@@H](C)[C@H](C)[NH2+]Cc2ccc(Cn3ccccc3=O)cc2)cc1 ZINC000177931014 823547743 /nfs/dbraw/zinc/54/77/43/823547743.db2.gz GBBAKFMEWHOTJJ-OALUTQOASA-N 1 0 376.500 4.187 20 0 GIADRO CCOCCCC(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000060615122 823548390 /nfs/dbraw/zinc/54/83/90/823548390.db2.gz AHHJMHMWLVSTHI-UHFFFAOYSA-N 1 0 380.532 4.382 20 0 GIADRO COCCOc1ccc([C@@H](C)[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)cc1 ZINC000177937741 823548438 /nfs/dbraw/zinc/54/84/38/823548438.db2.gz ZYYBRVLTJLZDHY-WAIKUNEKSA-N 1 0 383.488 4.285 20 0 GIADRO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000177938312 823548633 /nfs/dbraw/zinc/54/86/33/823548633.db2.gz FXSFHPYWTHFGOU-GYCJOSAFSA-N 1 0 394.515 4.478 20 0 GIADRO C[C@@H]1C[C@@H](CCNC(=O)N2CCCc3occc3C2)C[N@@H+]1Cc1ccccc1 ZINC000460948489 823548729 /nfs/dbraw/zinc/54/87/29/823548729.db2.gz WSIXUBVZSMPDID-UYAOXDASSA-N 1 0 381.520 4.038 20 0 GIADRO CC[C@@H](NC(=O)N(CC)CCC[NH+]1CCCC1)c1nc(C(F)(F)F)cs1 ZINC000190197356 823549633 /nfs/dbraw/zinc/54/96/33/823549633.db2.gz WAFHGNAPQNZCMV-CYBMUJFWSA-N 1 0 392.491 4.130 20 0 GIADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2ccc(OCc3ccccn3)cc2)C1 ZINC000460954950 823549933 /nfs/dbraw/zinc/54/99/33/823549933.db2.gz YQPQLLLTNNZUNJ-JQVVWYNYSA-N 1 0 393.531 4.138 20 0 GIADRO c1ccc(-c2noc([C@@H]3CCCC[N@H+]3CC3CCC4(CC3)OCCO4)n2)cc1 ZINC000190213657 823551376 /nfs/dbraw/zinc/55/13/76/823551376.db2.gz ZKPDWALZSRXVSJ-IBGZPJMESA-N 1 0 383.492 4.197 20 0 GIADRO CC[NH+](CC)CC1CCN(C(=O)c2ccc(NC(=O)CC(C)C)c(C)c2)CC1 ZINC000460963923 823551704 /nfs/dbraw/zinc/55/17/04/823551704.db2.gz PZYYFMUSPBBPSC-UHFFFAOYSA-N 1 0 387.568 4.174 20 0 GIADRO CC1(C)C[C@@H](C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c2ccccc2O1 ZINC000411153569 823552356 /nfs/dbraw/zinc/55/23/56/823552356.db2.gz BSKPCQGOLDWNID-MSOLQXFVSA-N 1 0 384.545 4.346 20 0 GIADRO O=C(C[C@@H](c1ccc(O)cc1)C1CC1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000411162808 823553188 /nfs/dbraw/zinc/55/31/88/823553188.db2.gz YDPTZHXMEGPWJR-UXHICEINSA-N 1 0 384.545 4.291 20 0 GIADRO CC[C@H](C(=O)Nc1ccc(CN2CC[NH+](CC)CC2)cc1)c1ccc(F)cc1 ZINC000460973579 823553720 /nfs/dbraw/zinc/55/37/20/823553720.db2.gz NGVZYKKXNQJVII-QFIPXVFZSA-N 1 0 383.511 4.096 20 0 GIADRO C[N@@H+]1CC[C@H](CNC(=O)c2cncc3ccccc32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123942722 823553809 /nfs/dbraw/zinc/55/38/09/823553809.db2.gz GOPUIRZIGLPFIH-IERDGZPVSA-N 1 0 397.881 4.450 20 0 GIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2c[nH]cc2-c2ccc(F)cc2)C1 ZINC000460974901 823554028 /nfs/dbraw/zinc/55/40/28/823554028.db2.gz ZJHKEDSRFIQXMN-OXJNMPFZSA-N 1 0 377.463 4.386 20 0 GIADRO O=C(COc1ccc(-c2ccccc2)cc1Cl)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000060722448 823554099 /nfs/dbraw/zinc/55/40/99/823554099.db2.gz HNZOVSXACAZRIA-PMACEKPBSA-N 1 0 384.907 4.129 20 0 GIADRO Cc1cc(C)c(Br)c(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)c1 ZINC000460977241 823554345 /nfs/dbraw/zinc/55/43/45/823554345.db2.gz LCLIRXKXPFPXSR-QGZVFWFLSA-N 1 0 393.300 4.238 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)c2ccccc2OCc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000123955979 823555097 /nfs/dbraw/zinc/55/50/97/823555097.db2.gz CRZDNOUQHIDYIZ-QFBILLFUSA-N 1 0 386.923 4.474 20 0 GIADRO O=C(N[C@H]1CCSc2ccc(Cl)cc21)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000411191389 823555812 /nfs/dbraw/zinc/55/58/12/823555812.db2.gz BSCMWLSZVFKSPD-RDJZCZTQSA-N 1 0 397.009 4.211 20 0 GIADRO C[C@H](CC(F)F)C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000411195423 823556218 /nfs/dbraw/zinc/55/62/18/823556218.db2.gz BNSMPHZUVKYKBK-CYBMUJFWSA-N 1 0 378.385 4.031 20 0 GIADRO C[N@@H+]1CC[C@@H](CNC(=O)CCCc2ccccn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123967750 823556295 /nfs/dbraw/zinc/55/62/95/823556295.db2.gz WYRCTSBENAPUTC-KKSFZXQISA-N 1 0 389.902 4.006 20 0 GIADRO O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)[C@H]1CCSc2ccccc21 ZINC000460997062 823556794 /nfs/dbraw/zinc/55/67/94/823556794.db2.gz RNAGALAIMYKJES-NRFANRHFSA-N 1 0 396.556 4.057 20 0 GIADRO c1sc(CC[NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)nc1-c1ccccn1 ZINC000123978379 823557368 /nfs/dbraw/zinc/55/73/68/823557368.db2.gz CSAAOHGVTQRJLO-IBGZPJMESA-N 1 0 395.528 4.095 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H]1CC(C)(C)Oc2ccccc21 ZINC000411211628 823557629 /nfs/dbraw/zinc/55/76/29/823557629.db2.gz SRRSKCFNUKHSFH-FQEVSTJZSA-N 1 0 393.531 4.030 20 0 GIADRO O[C@H](C[C@@H]1CCCCC[N@@H+]1CC1CCC2(CC1)OCCO2)c1cccs1 ZINC000190270505 823558104 /nfs/dbraw/zinc/55/81/04/823558104.db2.gz JUSZMSXXSSEXIW-RBUKOAKNSA-N 1 0 379.566 4.350 20 0 GIADRO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C[N@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000411224298 823558515 /nfs/dbraw/zinc/55/85/15/823558515.db2.gz KYLCONZBDRATET-FZMZJTMJSA-N 1 0 397.466 4.223 20 0 GIADRO Cc1c([C@@H](C)[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)cnn1-c1ccc(F)cc1 ZINC000124005801 823559238 /nfs/dbraw/zinc/55/92/38/823559238.db2.gz FTCKVNWKXVZMRM-DNVCBOLYSA-N 1 0 392.478 4.055 20 0 GIADRO COc1cc(C[NH2+]C2CCC(O)CC2)ccc1OCc1ccc(Cl)cc1 ZINC000060815516 823559336 /nfs/dbraw/zinc/55/93/36/823559336.db2.gz QXYRJSQCYKQKHV-UHFFFAOYSA-N 1 0 375.896 4.321 20 0 GIADRO CCOc1cc(C[NH2+]C2CCC(O)CC2)ccc1OCCOc1cccc(C)c1 ZINC000060815583 823559339 /nfs/dbraw/zinc/55/93/39/823559339.db2.gz AOLANPCWUMXEHG-UHFFFAOYSA-N 1 0 399.531 4.245 20 0 GIADRO COC[C@H](C)[NH2+]Cc1cc(Br)c(OCc2ccccc2)c(OC)c1 ZINC000060816597 823559488 /nfs/dbraw/zinc/55/94/88/823559488.db2.gz MSXCHZHMONHJOB-AWEZNQCLSA-N 1 0 394.309 4.161 20 0 GIADRO CCN(CC)C(=O)c1cccc(NC(=O)c2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000411237173 823559661 /nfs/dbraw/zinc/55/96/61/823559661.db2.gz AKKOIEAWBPIODN-UHFFFAOYSA-N 1 0 393.531 4.407 20 0 GIADRO CCCOc1ccc(Br)cc1C[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000060818481 823559702 /nfs/dbraw/zinc/55/97/02/823559702.db2.gz VLCXODWFFAYLCD-UHFFFAOYSA-N 1 0 392.293 4.299 20 0 GIADRO O=C(CC1CCCC1)NC1CC[NH+](Cc2ccc(-c3ncco3)cc2F)CC1 ZINC000411253600 823560489 /nfs/dbraw/zinc/56/04/89/823560489.db2.gz MGLFCGHEZRDBIK-UHFFFAOYSA-N 1 0 385.483 4.142 20 0 GIADRO C#CCOc1ccc(Br)cc1C[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000060832911 823560933 /nfs/dbraw/zinc/56/09/33/823560933.db2.gz IITNWRKLMIPKEJ-UHFFFAOYSA-N 1 0 396.231 4.352 20 0 GIADRO Cc1ccc(C[NH2+]Cc2ccc3c(c2)CC(C)(C)O3)c(-n2cc(Cl)cn2)n1 ZINC000190307034 823561263 /nfs/dbraw/zinc/56/12/63/823561263.db2.gz GOVSBCDLTWGFAL-UHFFFAOYSA-N 1 0 382.895 4.232 20 0 GIADRO CC(=O)c1ccc(NC(=S)Nc2ccc(CC[NH+]3CCSCC3)cc2)cc1 ZINC000060837524 823561269 /nfs/dbraw/zinc/56/12/69/823561269.db2.gz OBIGWVGBLRCVER-UHFFFAOYSA-N 1 0 399.585 4.289 20 0 GIADRO COc1ccc(C[N@H+](C)C[C@@H](O)COc2c(Cl)cccc2Cl)cc1F ZINC000060845446 823561749 /nfs/dbraw/zinc/56/17/49/823561749.db2.gz ZVKFQSPIQOWUCB-CYBMUJFWSA-N 1 0 388.266 4.013 20 0 GIADRO COc1cccc(CN(CC[NH+](C)C)C(=O)Nc2ccccc2CSC)c1 ZINC000190314184 823561855 /nfs/dbraw/zinc/56/18/55/823561855.db2.gz YFZXYQADCOVKOU-UHFFFAOYSA-N 1 0 387.549 4.154 20 0 GIADRO O=C(c1ccc(O)cc1)C1CC[NH+](Cc2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000124037958 823561945 /nfs/dbraw/zinc/56/19/45/823561945.db2.gz ZVDJBQXPIQHIAA-HSZRJFAPSA-N 1 0 395.499 4.045 20 0 GIADRO Cc1ccc(C[NH2+]Cc2ccc(Br)cc2)c(-n2cc(Cl)cn2)n1 ZINC000190313557 823561938 /nfs/dbraw/zinc/56/19/38/823561938.db2.gz JSBKKTJABDKFPX-UHFFFAOYSA-N 1 0 391.700 4.281 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)C2CC[NH+](C/C=C/c3ccc(F)cc3)CC2)c1 ZINC000124056923 823563932 /nfs/dbraw/zinc/56/39/32/823563932.db2.gz CTYNEOCKKORPRT-ONEGZZNKSA-N 1 0 395.478 4.148 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)NC(=O)c2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000411319445 823564421 /nfs/dbraw/zinc/56/44/21/823564421.db2.gz FNTNJRPLTZVJTG-KRWDZBQOSA-N 1 0 379.504 4.122 20 0 GIADRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)Cc1cccc(C3CC3)c1)c1ccccc1O2 ZINC000411346106 823565570 /nfs/dbraw/zinc/56/55/70/823565570.db2.gz LWRKLDIVKOGOBN-QFIPXVFZSA-N 1 0 390.527 4.211 20 0 GIADRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)Cc1cccc(C3CC3)c1)c1ccccc1O2 ZINC000411346105 823565587 /nfs/dbraw/zinc/56/55/87/823565587.db2.gz LWRKLDIVKOGOBN-JOCHJYFZSA-N 1 0 390.527 4.211 20 0 GIADRO O=C(Nc1cccc(C(=O)N2CCCC2)c1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000411366771 823566738 /nfs/dbraw/zinc/56/67/38/823566738.db2.gz QADXKUGVQDSREV-UHFFFAOYSA-N 1 0 391.515 4.161 20 0 GIADRO CCC[N@H+](CCC(=O)Nc1ccccc1Br)C[C@H]1CCCCO1 ZINC000411370915 823567133 /nfs/dbraw/zinc/56/71/33/823567133.db2.gz VUDWZSIQVIOSDM-OAHLLOKOSA-N 1 0 383.330 4.059 20 0 GIADRO COc1cc(C[NH2+]C[C@@](C)(O)c2ccsc2)ccc1OCc1cccs1 ZINC000124095273 823567150 /nfs/dbraw/zinc/56/71/50/823567150.db2.gz AMGWBGCRZAGOFM-HXUWFJFHSA-N 1 0 389.542 4.395 20 0 GIADRO CC[C@](C)([NH2+]CCC(=O)Nc1ccc(Br)cc1)c1nccs1 ZINC000411384301 823568360 /nfs/dbraw/zinc/56/83/60/823568360.db2.gz HPIGCZBSQIPRSM-INIZCTEOSA-N 1 0 382.327 4.149 20 0 GIADRO Fc1cc(F)cc(Oc2ccc(C[NH2+][C@@H]3CCN(CC(F)(F)F)C3)cc2)c1 ZINC000060953141 823569123 /nfs/dbraw/zinc/56/91/23/823569123.db2.gz CIGVFFIQFVQWNU-MRXNPFEDSA-N 1 0 386.364 4.483 20 0 GIADRO COC(=O)[C@H](C)[C@@H]([NH2+]CCc1nc(-c2cccc(Cl)c2)no1)c1ccccc1 ZINC000411396870 823570096 /nfs/dbraw/zinc/57/00/96/823570096.db2.gz YIPLNZHDDFZRHR-AUUYWEPGSA-N 1 0 399.878 4.073 20 0 GIADRO C[C@@H]([NH2+][C@H](CO)Cc1c[nH]c2ccccc12)c1ccc(F)cc1OC(F)F ZINC000124130239 823570282 /nfs/dbraw/zinc/57/02/82/823570282.db2.gz DYJSJGCJUJRWAQ-DOMZBBRYSA-N 1 0 378.394 4.163 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)Nc1ccc2c(c1)OCCO2 ZINC000060972109 823570306 /nfs/dbraw/zinc/57/03/06/823570306.db2.gz ODKAQDYXHHCHCC-UHFFFAOYSA-N 1 0 395.503 4.156 20 0 GIADRO COc1cc(C[N@H+](CCc2nc(-c3ccc(Cl)cc3)no2)C2CC2)ccc1O ZINC000411404452 823570794 /nfs/dbraw/zinc/57/07/94/823570794.db2.gz AJATVSDATVORPS-UHFFFAOYSA-N 1 0 399.878 4.311 20 0 GIADRO COc1cc(CNCCC[N@H+]2C[C@H](C)C[C@H](C)C2)ccc1OCc1ccncc1 ZINC000060978691 823570821 /nfs/dbraw/zinc/57/08/21/823570821.db2.gz BFWIXNSJRDBKNT-BGYRXZFFSA-N 1 0 397.563 4.127 20 0 GIADRO C[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1cccc(OC(F)F)c1 ZINC000124136861 823570925 /nfs/dbraw/zinc/57/09/25/823570925.db2.gz BUUGEBMUMJWEHX-ZSZQSSIHSA-N 1 0 393.478 4.007 20 0 GIADRO COc1ccc(C)cc1NC(=O)[C@@H]([NH2+]C[C@@](C)(OC)C1CC1)c1ccccc1 ZINC000461076166 823571238 /nfs/dbraw/zinc/57/12/38/823571238.db2.gz OOUSCHXAQOJFSW-JTHBVZDNSA-N 1 0 382.504 4.088 20 0 GIADRO O=C(CC[N@@H+]1CCC[C@@H]1c1ccncc1)Nc1ccc(Br)cc1F ZINC000411415400 823571671 /nfs/dbraw/zinc/57/16/71/823571671.db2.gz JQQDUJPHNXUNEV-QGZVFWFLSA-N 1 0 392.272 4.149 20 0 GIADRO Cc1cccc(-c2nn(Cc3ccccc3)cc2C[NH2+]CCCn2ccnc2)c1 ZINC000061003069 823572196 /nfs/dbraw/zinc/57/21/96/823572196.db2.gz YGEOXUJSJNJATG-UHFFFAOYSA-N 1 0 385.515 4.283 20 0 GIADRO CC[N@H+](CCC(=O)N[C@@H](c1cccs1)c1ccccc1)Cc1ccncc1 ZINC000411422108 823572289 /nfs/dbraw/zinc/57/22/89/823572289.db2.gz JDHYIBGMRIFZRW-JOCHJYFZSA-N 1 0 379.529 4.261 20 0 GIADRO COc1ccccc1CN(C)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000061011828 823572742 /nfs/dbraw/zinc/57/27/42/823572742.db2.gz DQAFAHKXHBUBFE-UHFFFAOYSA-N 1 0 395.547 4.413 20 0 GIADRO O=C(C[C@@H]1CCCN1C(=O)c1cccc(C[NH+]2CCCC2)c1)c1ccccc1 ZINC000124160205 823573048 /nfs/dbraw/zinc/57/30/48/823573048.db2.gz QZEATNLIQOYRRR-QFIPXVFZSA-N 1 0 376.500 4.160 20 0 GIADRO c1ccc(OCc2ccncc2)c(C[NH2+]Cc2ccc(N3CCCCC3)nc2)c1 ZINC000061018356 823573548 /nfs/dbraw/zinc/57/35/48/823573548.db2.gz GRSJIWKWGKBHCP-UHFFFAOYSA-N 1 0 388.515 4.336 20 0 GIADRO Cc1ccc2ncc(C[NH+]3CCC4(C[C@@H]4C(=O)N4CCCCC4)CC3)cc2c1 ZINC000411431378 823573592 /nfs/dbraw/zinc/57/35/92/823573592.db2.gz PWDJJYJTVVMHPF-OAQYLSRUSA-N 1 0 377.532 4.158 20 0 GIADRO CCOCc1ccc(CNC(=O)NCC2([NH+]3CCCCC3)CCCCC2)cc1 ZINC000061024904 823573883 /nfs/dbraw/zinc/57/38/83/823573883.db2.gz ZUZKOGHHEOAFEQ-UHFFFAOYSA-N 1 0 387.568 4.211 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCC(c3ccncc3)CC2)CC1 ZINC000190438980 823574139 /nfs/dbraw/zinc/57/41/39/823574139.db2.gz QZNDPYQNPAIPDC-LJQANCHMSA-N 1 0 392.547 4.196 20 0 GIADRO Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1CNCC[NH+]1CCCC1 ZINC000061030854 823574304 /nfs/dbraw/zinc/57/43/04/823574304.db2.gz OKMYWHKMKUZPHS-UHFFFAOYSA-N 1 0 386.849 4.038 20 0 GIADRO CCCC(=O)Nc1ccc(CNC(=O)c2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000411440538 823574450 /nfs/dbraw/zinc/57/44/50/823574450.db2.gz HUUJYYFHZJWYTO-UHFFFAOYSA-N 1 0 393.531 4.341 20 0 GIADRO COC(=O)c1ccc(C[NH2+][C@H](C)c2ccc(Br)cc2OC)cc1F ZINC000190441217 823574536 /nfs/dbraw/zinc/57/45/36/823574536.db2.gz KTQCPYKGKOZUOK-LLVKDONJSA-N 1 0 396.256 4.234 20 0 GIADRO O=C(NC1CC1)[C@@H]([NH2+][C@H]1C[C@H](c2ccc(Br)cc2)C1)c1ccccc1 ZINC000461090419 823574775 /nfs/dbraw/zinc/57/47/75/823574775.db2.gz SNRTVEOBRBURQA-VDGAXYAQSA-N 1 0 399.332 4.305 20 0 GIADRO CN(Cc1ccc(Cl)cc1)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000061036894 823574832 /nfs/dbraw/zinc/57/48/32/823574832.db2.gz HTNHHSYHZDIDGS-UHFFFAOYSA-N 1 0 391.968 4.455 20 0 GIADRO CC[C@H](C)c1ccccc1OCC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000124177893 823574825 /nfs/dbraw/zinc/57/48/25/823574825.db2.gz SENYIFACLQEILA-SFHVURJKSA-N 1 0 384.520 4.295 20 0 GIADRO COc1ccc2c(c1)CCC[C@H]2C[NH2+][C@H](C)CC(=O)Nc1cccnc1Cl ZINC000124185014 823575455 /nfs/dbraw/zinc/57/54/55/823575455.db2.gz NRDUJUVCLWPPLL-ZBFHGGJFSA-N 1 0 387.911 4.170 20 0 GIADRO COC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(Br)cc2OC)c1 ZINC000190450060 823576157 /nfs/dbraw/zinc/57/61/57/823576157.db2.gz MJUGXHLHFVNGNJ-LBPRGKRZSA-N 1 0 378.266 4.095 20 0 GIADRO COc1cc([C@@H](C)[NH2+]CC(=O)N(C)Cc2cccs2)ccc1OCC(C)C ZINC000411452122 823576245 /nfs/dbraw/zinc/57/62/45/823576245.db2.gz OUYAUBYHDSUBFK-MRXNPFEDSA-N 1 0 390.549 4.101 20 0 GIADRO O=C(CC[N@H+](Cc1ccccn1)C1CC1)N[C@@H](c1cccs1)c1ccccc1 ZINC000411452856 823576302 /nfs/dbraw/zinc/57/63/02/823576302.db2.gz WIIJVYSPWQAPJK-HSZRJFAPSA-N 1 0 391.540 4.403 20 0 GIADRO COc1ccc(NC(=O)CC[NH2+][C@@H](c2ccccc2)[C@H]2CCOC2)cc1Cl ZINC000411455100 823576598 /nfs/dbraw/zinc/57/65/98/823576598.db2.gz DPWLMSGORIPJQX-KKSFZXQISA-N 1 0 388.895 4.045 20 0 GIADRO CSc1ccc(OC[C@H](O)C[NH2+][C@H](C)c2ccccc2OC(F)F)cc1 ZINC000411455299 823576606 /nfs/dbraw/zinc/57/66/06/823576606.db2.gz ZWCWMXUTWRSVJH-ZIAGYGMSSA-N 1 0 383.460 4.100 20 0 GIADRO Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000411456040 823576650 /nfs/dbraw/zinc/57/66/50/823576650.db2.gz MGDAGULLMVSAKI-FGTMMUONSA-N 1 0 379.504 4.447 20 0 GIADRO COc1ccc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(OCc2ccccc2)c1 ZINC000190454426 823576754 /nfs/dbraw/zinc/57/67/54/823576754.db2.gz AXCOQFNXLSTSJL-PKOBYXMFSA-N 1 0 397.519 4.221 20 0 GIADRO CC(=O)c1cc(F)c(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c(F)c1F ZINC000461102280 823577670 /nfs/dbraw/zinc/57/76/70/823577670.db2.gz IUFNUAUCSPGGJV-OAHLLOKOSA-N 1 0 390.405 4.157 20 0 GIADRO CO[C@@]1(C[NH2+][C@H](c2ccccc2)c2cc(Br)ccc2F)CCOC1 ZINC000461102461 823577703 /nfs/dbraw/zinc/57/77/03/823577703.db2.gz PBXFAVKOLDURFN-RTBURBONSA-N 1 0 394.284 4.073 20 0 GIADRO Cc1ccc([C@H](CN2CCOCC2)[NH2+]Cc2cnc3ccc(C)cc3c2)cc1 ZINC000411463792 823577753 /nfs/dbraw/zinc/57/77/53/823577753.db2.gz SSJJSUPSOXNEOP-DEOSSOPVSA-N 1 0 375.516 4.015 20 0 GIADRO CC[C@@H]([NH2+]CCC(=O)Nc1ccccc1SC)c1ccc2c(c1)OCCO2 ZINC000411465033 823577979 /nfs/dbraw/zinc/57/79/79/823577979.db2.gz ZUKZDOHFFVGOEX-MRXNPFEDSA-N 1 0 386.517 4.249 20 0 GIADRO C[C@H]([NH2+][C@H](CCO)C1CCOCC1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000461105265 823578454 /nfs/dbraw/zinc/57/84/54/823578454.db2.gz XLBYNYIPRQPHKP-GAJHUEQPSA-N 1 0 387.495 4.233 20 0 GIADRO C[NH+](C)C1(CNC(=O)CSCc2cc(-c3cccs3)on2)CCCCC1 ZINC000061115238 823579077 /nfs/dbraw/zinc/57/90/77/823579077.db2.gz PMEWBXWKDHDOAB-UHFFFAOYSA-N 1 0 393.578 4.017 20 0 GIADRO CC[C@@H](C(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(F)cc1 ZINC000461110083 823579340 /nfs/dbraw/zinc/57/93/40/823579340.db2.gz JHXZDUPAFCOAMF-HSZRJFAPSA-N 1 0 398.522 4.153 20 0 GIADRO CC(C)[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)o1)c1ccc(C(F)(F)F)cc1 ZINC000411478309 823579456 /nfs/dbraw/zinc/57/94/56/823579456.db2.gz UKWDMBDGVWVOJN-MRXNPFEDSA-N 1 0 375.412 4.189 20 0 GIADRO Cc1csc([C@H]([NH2+]CCC(=O)Nc2ccc(Br)cc2)C2CC2)n1 ZINC000411481046 823579809 /nfs/dbraw/zinc/57/98/09/823579809.db2.gz PTYZQFKTVFNKPD-MRXNPFEDSA-N 1 0 394.338 4.284 20 0 GIADRO O[C@@H](C[NH2+]Cc1cnn(Cc2ccccc2)c1)c1c(Cl)cccc1Cl ZINC000124236115 823579990 /nfs/dbraw/zinc/57/99/90/823579990.db2.gz KOVRRCFTSGOZBQ-SFHVURJKSA-N 1 0 376.287 4.061 20 0 GIADRO CCOc1c(Cl)cccc1CC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000190490290 823580629 /nfs/dbraw/zinc/58/06/29/823580629.db2.gz XXUQQQWNGAYEBC-UHFFFAOYSA-N 1 0 378.944 4.052 20 0 GIADRO Cc1nn(C)c(C)c1CC[NH2+][C@@H](C)c1ccc(OC(F)F)cc1OC(F)F ZINC000124248487 823580960 /nfs/dbraw/zinc/58/09/60/823580960.db2.gz UASIYZBGVIKPFB-JTQLQIEISA-N 1 0 389.393 4.133 20 0 GIADRO CCCCN(CC(F)(F)F)C(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000061159432 823581233 /nfs/dbraw/zinc/58/12/33/823581233.db2.gz ALBZGGWHULULFG-UHFFFAOYSA-N 1 0 385.474 4.022 20 0 GIADRO O=C(CC[N@@H+]1CCC[C@H]1C1CCOCC1)N[C@H](c1cccs1)c1ccccc1 ZINC000411494315 823581382 /nfs/dbraw/zinc/58/13/82/823581382.db2.gz JFYBDKLDIMXOBF-REWPJTCUSA-N 1 0 398.572 4.235 20 0 GIADRO O=C(CC[N@@H+]1CCC[C@@H]1C1CCOCC1)NC(c1ccccc1)c1ccccc1 ZINC000411500634 823581847 /nfs/dbraw/zinc/58/18/47/823581847.db2.gz RWJLFYVNRRXFME-HSZRJFAPSA-N 1 0 392.543 4.173 20 0 GIADRO O=C(CC[NH2+][C@H](c1cccnc1)C1CC1)NC(c1ccccc1)c1ccccc1 ZINC000411504209 823582071 /nfs/dbraw/zinc/58/20/71/823582071.db2.gz MCVVRZUXMOLRQO-DEOSSOPVSA-N 1 0 385.511 4.418 20 0 GIADRO CCC[C@H](NCc1cccc(C[NH+]2CCCCC2)c1)c1nnc2ccccn21 ZINC000411508687 823582406 /nfs/dbraw/zinc/58/24/06/823582406.db2.gz BFVPMYCOTQGZOC-NRFANRHFSA-N 1 0 377.536 4.346 20 0 GIADRO CCS(=O)(=O)CCCCC[N@H+](Cc1ccc2c(c1)OCO2)C1CCCCC1 ZINC000190511262 823582544 /nfs/dbraw/zinc/58/25/44/823582544.db2.gz MGIADEHLQOLUSE-UHFFFAOYSA-N 1 0 395.565 4.155 20 0 GIADRO CCc1ccc([C@@H](COC)[NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)o1 ZINC000411513955 823583053 /nfs/dbraw/zinc/58/30/53/823583053.db2.gz QHSYCMLNVULKSB-MRXNPFEDSA-N 1 0 375.856 4.065 20 0 GIADRO CCc1ccc([C@H](COC)[NH2+]CCc2nc(-c3cccc(Cl)c3)no2)o1 ZINC000411515279 823583284 /nfs/dbraw/zinc/58/32/84/823583284.db2.gz VGWAJCWNOAGJFX-INIZCTEOSA-N 1 0 375.856 4.065 20 0 GIADRO CC[C@@H]([NH2+]CCC(=O)Nc1ccc(Br)cc1)c1c(C)noc1C ZINC000411516125 823583443 /nfs/dbraw/zinc/58/34/43/823583443.db2.gz JENWURAFDDSJPM-OAHLLOKOSA-N 1 0 380.286 4.123 20 0 GIADRO COc1ccccc1C[C@H]([NH2+]Cc1nc2ccc(Cl)cc2c(=O)[nH]1)C(C)C ZINC000411519394 823584005 /nfs/dbraw/zinc/58/40/05/823584005.db2.gz SAZYHIJWDRMZFR-SFHVURJKSA-N 1 0 385.895 4.354 20 0 GIADRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CC(=O)N3CCCC[C@H]3C)s2)cc1 ZINC000411529237 823585103 /nfs/dbraw/zinc/58/51/03/823585103.db2.gz HQHFWKCPSJWWPH-HUUCEWRRSA-N 1 0 387.549 4.179 20 0 GIADRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CC(=O)N3CCCC[C@@H]3C)s2)cc1 ZINC000411529238 823585156 /nfs/dbraw/zinc/58/51/56/823585156.db2.gz HQHFWKCPSJWWPH-LSDHHAIUSA-N 1 0 387.549 4.179 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1c2c(nc3ccccc31)CCC2 ZINC000061226491 823585370 /nfs/dbraw/zinc/58/53/70/823585370.db2.gz LXPNVZIVVHBOQW-UHFFFAOYSA-N 1 0 385.511 4.249 20 0 GIADRO COc1cc(NC(=O)CC[NH2+][C@H](C)c2ccc(Cl)s2)cc(OC)c1OC ZINC000411531463 823585354 /nfs/dbraw/zinc/58/53/54/823585354.db2.gz KMLGCNXWACTKPD-LLVKDONJSA-N 1 0 398.912 4.107 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)CC[C@@H]2Cc3ccccc3NC2=O)cc1 ZINC000190550977 823585421 /nfs/dbraw/zinc/58/54/21/823585421.db2.gz OFFACURWFGDUSE-LJQANCHMSA-N 1 0 379.504 4.058 20 0 GIADRO COc1ccc2c(c1)CCC[C@@H]2C[NH2+][C@H](C)CCCOc1ccccc1C(N)=O ZINC000124302817 823585451 /nfs/dbraw/zinc/58/54/51/823585451.db2.gz XDOGJROOGLSMSA-IEBWSBKVSA-N 1 0 396.531 4.051 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)N[C@H](C)c1ccc(OC)c(F)c1)c1ccccc1 ZINC000061228556 823585476 /nfs/dbraw/zinc/58/54/76/823585476.db2.gz WKOZYHDADQQZGE-UZLBHIALSA-N 1 0 387.499 4.278 20 0 GIADRO O=C(NCCCCOc1ccc(F)cc1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000061230019 823585755 /nfs/dbraw/zinc/58/57/55/823585755.db2.gz PYTUTLNDLMFMQH-QFIPXVFZSA-N 1 0 399.510 4.121 20 0 GIADRO CC[C@@H](c1nnc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)s1)c1ccccc1 ZINC000124314870 823586405 /nfs/dbraw/zinc/58/64/05/823586405.db2.gz OALOWDLBGMVCRR-KURKYZTESA-N 1 0 399.564 4.028 20 0 GIADRO Cc1cnc([C@H](C)[NH2+]CCC(=O)Nc2ccc(Br)cc2F)s1 ZINC000411544028 823586942 /nfs/dbraw/zinc/58/69/42/823586942.db2.gz SYINPTDZUSZNPJ-JTQLQIEISA-N 1 0 386.290 4.033 20 0 GIADRO CSc1ccccc1NC(=O)CC[NH2+][C@H](C)c1cnn(Cc2ccccc2)c1 ZINC000411545292 823587056 /nfs/dbraw/zinc/58/70/56/823587056.db2.gz WJZHRXUVRQHKHQ-QGZVFWFLSA-N 1 0 394.544 4.333 20 0 GIADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(NC(=O)C(C)C)ccc2Cl)C1 ZINC000124329402 823587794 /nfs/dbraw/zinc/58/77/94/823587794.db2.gz HSBBIDLMGCPGAG-INIZCTEOSA-N 1 0 393.959 4.032 20 0 GIADRO O=c1nc(C[NH2+][C@H]2CCCC[C@@H]2n2cccn2)[nH]c2scc(-c3ccco3)c21 ZINC000411553238 823587780 /nfs/dbraw/zinc/58/77/80/823587780.db2.gz CLJJHHJYCYVUFH-GJZGRUSLSA-N 1 0 395.488 4.127 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[NH2+][C@H]1CCCO[C@@H]1CC(C)C ZINC000411560698 823588220 /nfs/dbraw/zinc/58/82/20/823588220.db2.gz PMXNDDBYWMLXHR-LEWJYISDSA-N 1 0 398.551 4.001 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)CCc2c(C)nc3cc(C)nn3c2C)cc1 ZINC000190589457 823588961 /nfs/dbraw/zinc/58/89/61/823588961.db2.gz CIEDIRQZAZZLEU-UHFFFAOYSA-N 1 0 393.535 4.068 20 0 GIADRO O=C(/C=C/c1ccc2ccccc2n1)Nc1ccccc1C[NH+]1CCSCC1 ZINC000061285387 823589390 /nfs/dbraw/zinc/58/93/90/823589390.db2.gz SHKOUOHRWYHDIF-VAWYXSNFSA-N 1 0 389.524 4.436 20 0 GIADRO O=C(Cc1c(F)cccc1Cl)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000061286760 823589813 /nfs/dbraw/zinc/58/98/13/823589813.db2.gz XRCVOWQGEAJNIB-UHFFFAOYSA-N 1 0 378.900 4.209 20 0 GIADRO COCCOc1ccc(NC(=O)c2cccc(C[NH+]3CCCCC3)c2)cc1F ZINC000411597980 823589804 /nfs/dbraw/zinc/58/98/04/823589804.db2.gz UYEOGCGLWHZNPP-UHFFFAOYSA-N 1 0 386.467 4.089 20 0 GIADRO Cc1cccc(OCCCC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)c1 ZINC000061286621 823589856 /nfs/dbraw/zinc/58/98/56/823589856.db2.gz NHKSIVUOPCFTGO-UHFFFAOYSA-N 1 0 384.545 4.342 20 0 GIADRO O=C(CCSc1ccccc1)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000061289433 823589960 /nfs/dbraw/zinc/58/99/60/823589960.db2.gz BBTMSAJSEMBDHP-UHFFFAOYSA-N 1 0 386.586 4.399 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)c2cc(C3CC3)nc3onc(CC(C)(C)C)c32)CC[N@@H+]1C ZINC000124363731 823590402 /nfs/dbraw/zinc/59/04/02/823590402.db2.gz NAGMMGCBYXVQQV-GDBMZVCRSA-N 1 0 398.551 4.244 20 0 GIADRO CC(C)[C@H](CC(F)(F)F)[NH2+]CC(=O)N(Cc1ccco1)Cc1ccccc1 ZINC000411609361 823590474 /nfs/dbraw/zinc/59/04/74/823590474.db2.gz LSVHAXOOZDJKMI-SFHVURJKSA-N 1 0 382.426 4.375 20 0 GIADRO CC(C)[C@@H](CC(F)(F)F)[NH2+]CCC(=O)Nc1ccccc1Br ZINC000411615774 823591099 /nfs/dbraw/zinc/59/10/99/823591099.db2.gz SCXIOIGJTZFPQH-CYBMUJFWSA-N 1 0 381.236 4.344 20 0 GIADRO C[NH+](C)CCC1CCN(C(=O)c2csc(-c3cccc(Cl)c3)n2)CC1 ZINC000124372583 823591134 /nfs/dbraw/zinc/59/11/34/823591134.db2.gz DXPWDVMYPIIREC-UHFFFAOYSA-N 1 0 377.941 4.267 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCc3c(F)cccc3C2)CC1 ZINC000124373499 823591306 /nfs/dbraw/zinc/59/13/06/823591306.db2.gz ALCABEDDVNCVBY-KRWDZBQOSA-N 1 0 381.495 4.119 20 0 GIADRO Cn1cc(C[NH2+]CCCc2nc3ccccc3n2C)c(-c2cc3ccccc3o2)n1 ZINC000124374272 823591333 /nfs/dbraw/zinc/59/13/33/823591333.db2.gz NBCRLBGGZUNEAM-UHFFFAOYSA-N 1 0 399.498 4.442 20 0 GIADRO O=C(CC[NH2+][C@@H]1CCCc2c(O)cccc21)Nc1ccccc1Br ZINC000411623840 823591751 /nfs/dbraw/zinc/59/17/51/823591751.db2.gz SKNBPVXWGKFYIT-MRXNPFEDSA-N 1 0 389.293 4.151 20 0 GIADRO CCc1nn(C)c(OC)c1C[NH2+][C@@H](c1ccc(Br)s1)C1CC1 ZINC000190616640 823592103 /nfs/dbraw/zinc/59/21/03/823592103.db2.gz UARPSLYTPMJGDV-OAHLLOKOSA-N 1 0 384.343 4.056 20 0 GIADRO CCCn1ccnc1CCC[N@H+](C)CCC(=O)Nc1c(Cl)cccc1Cl ZINC000411629108 823592287 /nfs/dbraw/zinc/59/22/87/823592287.db2.gz AXCJYGIIDRUEKQ-UHFFFAOYSA-N 1 0 397.350 4.493 20 0 GIADRO CCCN(CC[NH+](CC)CC)C(=O)c1cc(C(C)C)nc2c1cnn2C(C)C ZINC000461181020 823594185 /nfs/dbraw/zinc/59/41/85/823594185.db2.gz OCNPABSWTBWZGR-UHFFFAOYSA-N 1 0 387.572 4.330 20 0 GIADRO CCCCOc1ccc(CNC(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1Cl ZINC000190645754 823594816 /nfs/dbraw/zinc/59/48/16/823594816.db2.gz MANIIQFCBNXVOI-YJBOKZPZSA-N 1 0 381.948 4.001 20 0 GIADRO O=C(CC[N@@H+]1CCC[C@H]1c1cc[nH]n1)Nc1ccc(OCc2ccccc2)cc1 ZINC000411656866 823595024 /nfs/dbraw/zinc/59/50/24/823595024.db2.gz RXJWIBMMIUKMPZ-QFIPXVFZSA-N 1 0 390.487 4.154 20 0 GIADRO O=C(CC[NH2+][C@H]1CCOc2c(Br)cccc21)Nc1ccccc1F ZINC000411693017 823597465 /nfs/dbraw/zinc/59/74/65/823597465.db2.gz LGVSBGLLKNSGOC-HNNXBMFYSA-N 1 0 393.256 4.030 20 0 GIADRO O=C(CC[NH2+][C@H]1CCCC12CCOCC2)NC(c1ccccc1)c1ccccc1 ZINC000411699396 823597825 /nfs/dbraw/zinc/59/78/25/823597825.db2.gz YOZQMXRMCNUALJ-QFIPXVFZSA-N 1 0 392.543 4.221 20 0 GIADRO CN1CC[C@H]([NH2+]Cc2ccc(-c3ncco3)cc2F)[C@H]1c1ccc(F)c(F)c1 ZINC000411702160 823598034 /nfs/dbraw/zinc/59/80/34/823598034.db2.gz YXRAKXVZOCEDOE-VQTJNVASSA-N 1 0 387.405 4.294 20 0 GIADRO C[C@@H](NC(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1)c1cc2ccccc2o1 ZINC000190686476 823598389 /nfs/dbraw/zinc/59/83/89/823598389.db2.gz HIBDALXVJRSIMT-MJGOQNOKSA-N 1 0 392.503 4.052 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)[C@@]3(C)C[C@@H]3c3ccccc3)CC2)cc1 ZINC000411712978 823598941 /nfs/dbraw/zinc/59/89/41/823598941.db2.gz VJMSTRNDYYMHQF-NOZRDPDXSA-N 1 0 392.543 4.217 20 0 GIADRO Cc1c(F)cccc1NC(=O)CC[NH2+][C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000411716416 823599220 /nfs/dbraw/zinc/59/92/20/823599220.db2.gz FYFFEFBRWWBZDS-GOSISDBHSA-N 1 0 399.293 4.483 20 0 GIADRO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH2+][C@H]2CCC[C@@H]2OCc2ccccc2)c1C ZINC000411716021 823599293 /nfs/dbraw/zinc/59/92/93/823599293.db2.gz DCAPHWVYOLFTBM-VDGAXYAQSA-N 1 0 382.504 4.133 20 0 GIADRO Cc1ccc(Br)cc1C[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000190697393 823599297 /nfs/dbraw/zinc/59/92/97/823599297.db2.gz CEHOUFGRJORFLB-CYBMUJFWSA-N 1 0 382.323 4.012 20 0 GIADRO C[C@@H](NC(=O)NCCC[N@H+](C)Cc1ccccc1)c1cccc(OC(F)F)c1 ZINC000061501105 823600033 /nfs/dbraw/zinc/60/00/33/823600033.db2.gz NDIZWGOSXUYVDL-MRXNPFEDSA-N 1 0 391.462 4.170 20 0 GIADRO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C[NH2+][C@](C)(C(N)=O)C(C)C ZINC000411726412 823600274 /nfs/dbraw/zinc/60/02/74/823600274.db2.gz KFJUQNBFZBFSGW-KRWDZBQOSA-N 1 0 385.455 4.127 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)[C@@H](C)Sc2ccc(Br)cc2)CC1 ZINC000461217581 823600522 /nfs/dbraw/zinc/60/05/22/823600522.db2.gz LNFXELWUBPDPOK-CQSZACIVSA-N 1 0 399.398 4.168 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)c2ccc(COc3ccc(C)cc3C)o2)CC1 ZINC000461219642 823600648 /nfs/dbraw/zinc/60/06/48/823600648.db2.gz RIPQWNHEWKJQRJ-UHFFFAOYSA-N 1 0 384.520 4.327 20 0 GIADRO OCC[C@H]([NH2+]CCc1nc(-c2cccc(Cl)c2)no1)c1ccc(Cl)cc1 ZINC000411741208 823601373 /nfs/dbraw/zinc/60/13/73/823601373.db2.gz PPOPDTRBJNKZDY-KRWDZBQOSA-N 1 0 392.286 4.299 20 0 GIADRO CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000411743742 823601722 /nfs/dbraw/zinc/60/17/22/823601722.db2.gz FZCCZERIAZBAMA-VSKRKVRLSA-N 1 0 386.605 4.389 20 0 GIADRO CCOC(=O)c1ccc(C[NH2+][C@H](Cc2ccccc2)c2ccc(OC)cc2)nc1 ZINC000411744698 823601903 /nfs/dbraw/zinc/60/19/03/823601903.db2.gz GYSQRNWBYPTPFN-HSZRJFAPSA-N 1 0 390.483 4.341 20 0 GIADRO COc1cc(NC(=O)CC[NH2+][C@H]2CCCCC23CCCC3)cc(OC)c1OC ZINC000411746149 823602083 /nfs/dbraw/zinc/60/20/83/823602083.db2.gz NZIYLKXRRSCJQD-IBGZPJMESA-N 1 0 390.524 4.134 20 0 GIADRO C[C@H](C[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1)Oc1cccc(F)c1 ZINC000124509420 823602365 /nfs/dbraw/zinc/60/23/65/823602365.db2.gz OEVAMXGPRHIEGX-SJORKVTESA-N 1 0 383.467 4.256 20 0 GIADRO C[C@@H]([NH2+]CCC(=O)Nc1cccc(C(F)(F)F)c1)[C@H]1OCCc2sccc21 ZINC000411760058 823603170 /nfs/dbraw/zinc/60/31/70/823603170.db2.gz QXPVHVQBEVDHAL-KZULUSFZSA-N 1 0 398.450 4.388 20 0 GIADRO C[C@H]1CCCC[C@H]1OCCNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000061551115 823603157 /nfs/dbraw/zinc/60/31/57/823603157.db2.gz XJSDYHIGOBZOGM-SIKLNZKXSA-N 1 0 387.568 4.067 20 0 GIADRO O=C(CC[NH2+]C1(Cc2ccc(F)cc2Cl)CCOCC1)Nc1ccccc1 ZINC000411770799 823603907 /nfs/dbraw/zinc/60/39/07/823603907.db2.gz MSRDYQMRYZLUPD-UHFFFAOYSA-N 1 0 390.886 4.189 20 0 GIADRO CCc1cc(N2CCC(NC(=O)c3cc(C)oc3C)CC2)c2ccccc2[nH+]1 ZINC000124528187 823603917 /nfs/dbraw/zinc/60/39/17/823603917.db2.gz SODIZUJTVRYZDL-UHFFFAOYSA-N 1 0 377.488 4.406 20 0 GIADRO CC(C)(CO)[C@H]([NH2+]CCC(=O)Nc1ccccc1Oc1ccccc1)C1CC1 ZINC000411770330 823603940 /nfs/dbraw/zinc/60/39/40/823603940.db2.gz LXZKHHVPGMJUBU-JOCHJYFZSA-N 1 0 382.504 4.194 20 0 GIADRO Cn1cc(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)c2ccccc21 ZINC000061572394 823604607 /nfs/dbraw/zinc/60/46/07/823604607.db2.gz YMKDAEVUSZNJIV-UHFFFAOYSA-N 1 0 379.529 4.022 20 0 GIADRO Cc1[nH]c2ccccc2c1C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000061572325 823604645 /nfs/dbraw/zinc/60/46/45/823604645.db2.gz WHVWJCYCVQUXHC-UHFFFAOYSA-N 1 0 379.529 4.320 20 0 GIADRO C[C@@H]1C[N@H+](C[C@@H]2CCC(C)(C)O2)C2(CCCC2)CN1C[C@@H]1CCC(C)(C)O1 ZINC000411788437 823604852 /nfs/dbraw/zinc/60/48/52/823604852.db2.gz LKIBYNSSQVZSSD-AABGKKOBSA-N 1 0 378.601 4.221 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000061576907 823605007 /nfs/dbraw/zinc/60/50/07/823605007.db2.gz HFNLZSYSYRCKOK-IYBDPMFKSA-N 1 0 386.458 4.002 20 0 GIADRO CC(C)n1c2ccc(C(=O)N(C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)cc2nc1C(F)(F)F ZINC000124544794 823605052 /nfs/dbraw/zinc/60/50/52/823605052.db2.gz JUWATRUHUAKCKB-DZGCQCFKSA-N 1 0 396.457 4.191 20 0 GIADRO Cc1c2ccccc2oc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000124548567 823605516 /nfs/dbraw/zinc/60/55/16/823605516.db2.gz LRAQYEMCNQWQRQ-RTWAWAEBSA-N 1 0 397.563 4.150 20 0 GIADRO CC[NH2+]Cc1ccccc1NC(=O)CSc1ncnc2sc(C)c(C)c21 ZINC000124549875 823605666 /nfs/dbraw/zinc/60/56/66/823605666.db2.gz VXVZPNOMHIMCSQ-UHFFFAOYSA-N 1 0 386.546 4.148 20 0 GIADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000461255412 823605960 /nfs/dbraw/zinc/60/59/60/823605960.db2.gz CTSDMGIFDUDRGL-INIZCTEOSA-N 1 0 377.941 4.410 20 0 GIADRO C[C@H]([NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1)[C@@H](O)c1ccc(F)cc1 ZINC000124553191 823605982 /nfs/dbraw/zinc/60/59/82/823605982.db2.gz KLXZCCYOWPIXBQ-LHSJRXKWSA-N 1 0 394.893 4.294 20 0 GIADRO CCCCOc1c(Cl)cc(C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cc1OC ZINC000461257592 823606415 /nfs/dbraw/zinc/60/64/15/823606415.db2.gz MYRYVOCHGFTUNP-QGZVFWFLSA-N 1 0 396.959 4.474 20 0 GIADRO O=C(Cc1csc(-c2ccc(Cl)cc2Cl)n1)NCCC[NH+]1CCCC1 ZINC000061637945 823607221 /nfs/dbraw/zinc/60/72/21/823607221.db2.gz REZYEGKXSWTEIT-UHFFFAOYSA-N 1 0 398.359 4.262 20 0 GIADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cccc(-c2noc(CC(C)(C)C)n2)c1 ZINC000461260991 823607301 /nfs/dbraw/zinc/60/73/01/823607301.db2.gz WATCEGVAXABAKO-IBGZPJMESA-N 1 0 398.551 4.272 20 0 GIADRO CC1(C)[C@H]([NH2+]CCC(=O)N[C@@H](c2cccs2)c2ccccc2)[C@@H]2CCCO[C@@H]21 ZINC000411811800 823607365 /nfs/dbraw/zinc/60/73/65/823607365.db2.gz YXYPKLFHEQQMSL-UPZYVNNASA-N 1 0 398.572 4.137 20 0 GIADRO O[C@H](c1ccccc1)C1CC[NH+](Cc2c[nH]nc2-c2c(F)cccc2F)CC1 ZINC000124575661 823607842 /nfs/dbraw/zinc/60/78/42/823607842.db2.gz LTINVLDAYRMBDT-JOCHJYFZSA-N 1 0 383.442 4.301 20 0 GIADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)CCSc1ccc(Br)cc1 ZINC000461274708 823610646 /nfs/dbraw/zinc/61/06/46/823610646.db2.gz ZCUKQNDVKGLLGA-MRXNPFEDSA-N 1 0 399.398 4.264 20 0 GIADRO Cc1ccc(Br)c(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000124609713 823610908 /nfs/dbraw/zinc/61/09/08/823610908.db2.gz UFXKUPZHWDWIKL-MRXNPFEDSA-N 1 0 393.350 4.386 20 0 GIADRO Cc1ccc([C@H](CNC(=O)Nc2ccc(N(C)C)cc2C)[NH+]2CCCC2)cc1 ZINC000061751084 823611745 /nfs/dbraw/zinc/61/17/45/823611745.db2.gz FEWKWBLPPPRDKS-QFIPXVFZSA-N 1 0 380.536 4.328 20 0 GIADRO Cc1cc(-n2cccn2)ccc1NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000190809458 823611770 /nfs/dbraw/zinc/61/17/70/823611770.db2.gz LHRWHZHAQFMVDW-UHFFFAOYSA-N 1 0 389.503 4.098 20 0 GIADRO Cc1cc(-n2cccn2)ccc1NC(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000190809432 823611802 /nfs/dbraw/zinc/61/18/02/823611802.db2.gz DXRTUZQPAJURKO-UHFFFAOYSA-N 1 0 391.519 4.343 20 0 GIADRO CC(C)(C)c1nnc(N2CCC[C@H]([NH+]3CCCC3)CC2)n1Cc1cccs1 ZINC000461297402 823613231 /nfs/dbraw/zinc/61/32/31/823613231.db2.gz USZDCGXYFGNIIO-KRWDZBQOSA-N 1 0 387.597 4.140 20 0 GIADRO CC(C)CCc1nnc(N2C[C@H]([NH+]3CCCC3)C[C@H]2C)n1Cc1cccs1 ZINC000461298094 823613355 /nfs/dbraw/zinc/61/33/55/823613355.db2.gz WPIIBOVJRDWIBF-QZTJIDSGSA-N 1 0 387.597 4.040 20 0 GIADRO COc1c(Cl)cccc1NC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000061776601 823613351 /nfs/dbraw/zinc/61/33/51/823613351.db2.gz UMTNTOBQYQWSRS-UHFFFAOYSA-N 1 0 393.940 4.444 20 0 GIADRO Cc1cccc(C2(CNC(=O)C3CC[NH+]([C@@H]4CCSC4)CC3)CCCC2)c1 ZINC000411904433 823614168 /nfs/dbraw/zinc/61/41/68/823614168.db2.gz LYTNSOUMDCMJNZ-OAQYLSRUSA-N 1 0 386.605 4.141 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)N1CCC[C@@H]1C1CCCC1 ZINC000061791130 823614725 /nfs/dbraw/zinc/61/47/25/823614725.db2.gz LHMPYJRSFNONJN-OAQYLSRUSA-N 1 0 387.593 4.464 20 0 GIADRO Cc1ccc(CN(C)C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)cc1 ZINC000061792388 823614929 /nfs/dbraw/zinc/61/49/29/823614929.db2.gz FDGGPTAUHAEUJB-UHFFFAOYSA-N 1 0 383.561 4.250 20 0 GIADRO C[C@@H](CCc1ccco1)NC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000061793216 823615122 /nfs/dbraw/zinc/61/51/22/823615122.db2.gz RMXIWYLMWYMPHX-KRWDZBQOSA-N 1 0 387.549 4.014 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)NCCCSc2ccc(F)cc2)c1 ZINC000061795212 823615280 /nfs/dbraw/zinc/61/52/80/823615280.db2.gz UTKZTTROGRVVHC-UHFFFAOYSA-N 1 0 389.540 4.259 20 0 GIADRO CC(C)c1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CCN(C)CC2)cc1 ZINC000124669006 823615735 /nfs/dbraw/zinc/61/57/35/823615735.db2.gz BRWKZKRWWSFGJA-DHIUTWEWSA-N 1 0 385.596 4.219 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)c2cccnc2SCc2ccc(F)cc2)CC[N@@H+]1C ZINC000124671310 823615963 /nfs/dbraw/zinc/61/59/63/823615963.db2.gz PUGBFEGIGWQWRH-QAPCUYQASA-N 1 0 387.524 4.068 20 0 GIADRO C[C@@H](NC(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)c1ccc(Cl)cc1 ZINC000061853988 823616236 /nfs/dbraw/zinc/61/62/36/823616236.db2.gz ABSCUYDQVMVKLL-MRXNPFEDSA-N 1 0 399.922 4.142 20 0 GIADRO Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)NCCCC[N@H+]3CCCC[C@@H]3C)nc2c1 ZINC000061864520 823616430 /nfs/dbraw/zinc/61/64/30/823616430.db2.gz AYIFSGXDHYFKCX-RXVVDRJESA-N 1 0 397.567 4.372 20 0 GIADRO CO[C@@](C)([C@@H](C)[NH2+]CC(=O)Nc1cccc(CSc2ccccn2)c1)C1CC1 ZINC000411962285 823617111 /nfs/dbraw/zinc/61/71/11/823617111.db2.gz BCASSUVQTFLRCN-ZHRRBRCNSA-N 1 0 399.560 4.106 20 0 GIADRO O=C(NCc1csc2ccccc12)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000061902163 823618267 /nfs/dbraw/zinc/61/82/67/823618267.db2.gz UVSWTZSAYRGOMY-UHFFFAOYSA-N 1 0 379.529 4.497 20 0 GIADRO CC(C)Oc1ccc(CC[NH2+][C@@H](C)CC(=O)Nc2cccnc2Cl)cc1 ZINC000124703081 823619132 /nfs/dbraw/zinc/61/91/32/823619132.db2.gz WYTOZYTXBKDTGU-HNNXBMFYSA-N 1 0 375.900 4.072 20 0 GIADRO COCCN(C)c1ccc(C[NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)cn1 ZINC000190881310 823619316 /nfs/dbraw/zinc/61/93/16/823619316.db2.gz LJZAYHABPPFRGU-QHCPKHFHSA-N 1 0 379.479 4.183 20 0 GIADRO CCSc1ccc([C@@H](C)NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)cc1 ZINC000411996970 823619623 /nfs/dbraw/zinc/61/96/23/823619623.db2.gz FFYZUOWFTRBRGH-CRAIPNDOSA-N 1 0 378.607 4.193 20 0 GIADRO O=C(c1ccccc1)N1CC[C@H](C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)C1 ZINC000412006062 823621505 /nfs/dbraw/zinc/62/15/05/823621505.db2.gz BGVKAOJOMQNZHY-NZQKXSOJSA-N 1 0 390.527 4.002 20 0 GIADRO CSc1ccc(OC[C@@H](O)C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)cc1 ZINC000412007733 823621990 /nfs/dbraw/zinc/62/19/90/823621990.db2.gz DQJFOJUVCJNALJ-SIKLNZKXSA-N 1 0 399.556 4.002 20 0 GIADRO OCC1([C@H]([NH2+]Cc2ccc(OC(F)(F)F)cc2)c2ccccc2)CCOCC1 ZINC000412010512 823622273 /nfs/dbraw/zinc/62/22/73/823622273.db2.gz QRLHDNRGOREPFI-LJQANCHMSA-N 1 0 395.421 4.205 20 0 GIADRO CN1C(=O)c2cc(Cl)ccc2NC12CC[NH+](CCc1ccc(F)cc1)CC2 ZINC000124739019 823622423 /nfs/dbraw/zinc/62/24/23/823622423.db2.gz FFXJOPMKPBWQAE-UHFFFAOYSA-N 1 0 387.886 4.011 20 0 GIADRO OCC1([C@H]([NH2+]Cc2ccc(Br)s2)c2ccccc2)CCOCC1 ZINC000412011308 823622485 /nfs/dbraw/zinc/62/24/85/823622485.db2.gz NTVCLVGOSNHKEO-QGZVFWFLSA-N 1 0 396.350 4.131 20 0 GIADRO CO[C@H]1CC[C@H]([NH2+]Cc2cc(Br)ccc2OCc2ccccn2)C1 ZINC000190913867 823623454 /nfs/dbraw/zinc/62/34/54/823623454.db2.gz RIDXGQFDOIEVPQ-WMZOPIPTSA-N 1 0 391.309 4.080 20 0 GIADRO CCOc1ccccc1NC(=O)CC[N@H+](C)Cc1ccc(OC)c(Cl)c1 ZINC000412038095 823623698 /nfs/dbraw/zinc/62/36/98/823623698.db2.gz IZYKFLIZOBLMMB-UHFFFAOYSA-N 1 0 376.884 4.208 20 0 GIADRO O[C@@H]1CC[C@@H]2C[N@H+](Cc3nc4cc(Cl)ccc4n3Cc3ccccc3)C[C@@H]2C1 ZINC000412041625 823623844 /nfs/dbraw/zinc/62/38/44/823623844.db2.gz NJRXNJQZYVUMFF-WSTZPKSXSA-N 1 0 395.934 4.331 20 0 GIADRO CCOc1cc(C[NH2+]C2CCC(C(=O)NC)CC2)ccc1OCc1ccccc1 ZINC000062259507 823626861 /nfs/dbraw/zinc/62/68/61/823626861.db2.gz OFERIPQBYBEJIR-UHFFFAOYSA-N 1 0 396.531 4.059 20 0 GIADRO O=C(N[C@H](c1ccc(F)cc1)C1CCCC1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412121056 823627832 /nfs/dbraw/zinc/62/78/32/823627832.db2.gz LKJRVTBQTWKKAH-SFTDATJTSA-N 1 0 390.568 4.391 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+][C@H]2CCN(c3c(C)cc(C)cc3C)C2=O)c1 ZINC000190941140 823627822 /nfs/dbraw/zinc/62/78/22/823627822.db2.gz JFPSNZKMQOJYQM-UWJYYQICSA-N 1 0 379.504 4.026 20 0 GIADRO COC[C@H]([NH2+][C@@H]1CCC[C@@H](C(=O)NC(C)C)C1)c1cccc(C(F)(F)F)c1 ZINC000124810416 823627925 /nfs/dbraw/zinc/62/79/25/823627925.db2.gz HAPTXALCJYRCCQ-NXHRZFHOSA-N 1 0 386.458 4.066 20 0 GIADRO COc1cc(C[NH2+][C@H](C)c2ccc(NC(=O)NC3CC3)cc2)c2ccccc2n1 ZINC000124822378 823628858 /nfs/dbraw/zinc/62/88/58/823628858.db2.gz WJYREQPKUHYOBN-OAHLLOKOSA-N 1 0 390.487 4.378 20 0 GIADRO CC(C)[C@@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)c1ccc(Cl)cc1 ZINC000412141135 823629770 /nfs/dbraw/zinc/62/97/70/823629770.db2.gz WINZGRDLOODKLG-RBUKOAKNSA-N 1 0 380.985 4.371 20 0 GIADRO Cc1cc(C)c(NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)c(C)c1 ZINC000062368873 823629995 /nfs/dbraw/zinc/62/99/95/823629995.db2.gz REQXJYOLRLVHDL-UHFFFAOYSA-N 1 0 375.463 4.486 20 0 GIADRO CCc1cccc(C)c1NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000062369154 823630036 /nfs/dbraw/zinc/63/00/36/823630036.db2.gz CKOHEGJHQZXOQO-UHFFFAOYSA-N 1 0 375.463 4.431 20 0 GIADRO COc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)cc1Cl ZINC000062374137 823630604 /nfs/dbraw/zinc/63/06/04/823630604.db2.gz UJPFNWCHTMQJSJ-UHFFFAOYSA-N 1 0 397.853 4.223 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)Nc1cc(Cl)ccc1F ZINC000062377404 823630970 /nfs/dbraw/zinc/63/09/70/823630970.db2.gz HGSFYWJDBZLOHE-UHFFFAOYSA-N 1 0 385.817 4.353 20 0 GIADRO Cc1nc2ccc(NC(=O)N(CC[NH+](C)C)Cc3ccc(F)cc3F)cc2o1 ZINC000062385075 823631690 /nfs/dbraw/zinc/63/16/90/823631690.db2.gz XVRTVRKUFRSEOF-UHFFFAOYSA-N 1 0 388.418 4.010 20 0 GIADRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)Nc1cccc(OC(F)F)c1 ZINC000062389874 823632033 /nfs/dbraw/zinc/63/20/33/823632033.db2.gz FASBEZCQLPNOLA-UHFFFAOYSA-N 1 0 381.398 4.023 20 0 GIADRO CC(C)Cn1ncc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c1C(F)F ZINC000124864505 823632180 /nfs/dbraw/zinc/63/21/80/823632180.db2.gz DLXMRIWVESOLDA-OAHLLOKOSA-N 1 0 396.507 4.105 20 0 GIADRO O=C(N[C@H](c1ccccc1)c1cccc(F)c1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412169306 823632440 /nfs/dbraw/zinc/63/24/40/823632440.db2.gz JMKJLRQOVJCPTB-FGZHOGPDSA-N 1 0 398.547 4.249 20 0 GIADRO CCOc1cc(NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)ccc1OC ZINC000062399712 823632723 /nfs/dbraw/zinc/63/27/23/823632723.db2.gz HXXZPTHGENYFAO-UHFFFAOYSA-N 1 0 389.540 4.260 20 0 GIADRO O=C(N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)C1(Cc2ccc(F)cc2)CC1 ZINC000461420587 823632779 /nfs/dbraw/zinc/63/27/79/823632779.db2.gz BHPYQXTYYGFNDK-FGZHOGPDSA-N 1 0 392.518 4.129 20 0 GIADRO O=C(CCCc1ccc(F)c(F)c1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461420426 823632796 /nfs/dbraw/zinc/63/27/96/823632796.db2.gz ARFJNXUBRFAHRX-SFTDATJTSA-N 1 0 398.497 4.268 20 0 GIADRO COc1ccc([C@H](C)CC(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000461421291 823632916 /nfs/dbraw/zinc/63/29/16/823632916.db2.gz HFWYHDGPWLBACF-UEVCKROQSA-N 1 0 392.543 4.169 20 0 GIADRO CCOc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)c(C)c1 ZINC000062403379 823633066 /nfs/dbraw/zinc/63/30/66/823633066.db2.gz IOLNMCRRVLCGNF-UHFFFAOYSA-N 1 0 391.462 4.268 20 0 GIADRO COc1cc(C[NH2+][C@@H](C)c2cc(OC)c(OC)c(OC)c2)c2ccccc2n1 ZINC000124877528 823633241 /nfs/dbraw/zinc/63/32/41/823633241.db2.gz OUIUJPHGSXZOJI-AWEZNQCLSA-N 1 0 382.460 4.120 20 0 GIADRO O=C(c1cc2c(ccc(Cl)c2Cl)[nH]1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000461422114 823633319 /nfs/dbraw/zinc/63/33/19/823633319.db2.gz DGCFOUDSUKMHPP-ZDUSSCGKSA-N 1 0 380.319 4.423 20 0 GIADRO COc1cc(C)ccc1NC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000062406782 823633431 /nfs/dbraw/zinc/63/34/31/823633431.db2.gz IWJPVZOWTWNEEM-UHFFFAOYSA-N 1 0 375.900 4.253 20 0 GIADRO O=C(c1cnc2ccccc2c1C(F)(F)F)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000461424066 823633560 /nfs/dbraw/zinc/63/35/60/823633560.db2.gz KZPSXSGSMOPJPA-OAHLLOKOSA-N 1 0 391.437 4.202 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)N(C)[C@H](C)c1ccco1)[NH+]1CCCCC1 ZINC000124893208 823634492 /nfs/dbraw/zinc/63/44/92/823634492.db2.gz WCDZNJWGOPKXBO-MJGOQNOKSA-N 1 0 385.508 4.218 20 0 GIADRO O=C(C1CC[NH+](C[C@@H]2CCC3(CCCCC3)O2)CC1)N1CCc2ccccc21 ZINC000190986944 823634933 /nfs/dbraw/zinc/63/49/33/823634933.db2.gz AMROINCKKJIIJP-NRFANRHFSA-N 1 0 382.548 4.170 20 0 GIADRO CSc1cc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)ccc1F ZINC000461429909 823635085 /nfs/dbraw/zinc/63/50/85/823635085.db2.gz PILSTUHNQJHDSX-MOPGFXCFSA-N 1 0 384.520 4.142 20 0 GIADRO O=C(N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)C1(Cc2ccccc2F)CC1 ZINC000461430341 823635352 /nfs/dbraw/zinc/63/53/52/823635352.db2.gz PJKAYFNNBJHGDM-FCHUYYIVSA-N 1 0 392.518 4.129 20 0 GIADRO CSc1cc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)ccc1F ZINC000461429913 823635370 /nfs/dbraw/zinc/63/53/70/823635370.db2.gz PILSTUHNQJHDSX-RTBURBONSA-N 1 0 384.520 4.142 20 0 GIADRO O=C(C[C@H](c1ccc(O)cc1)C1CC1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000412206953 823635754 /nfs/dbraw/zinc/63/57/54/823635754.db2.gz MQTIXQHDDDWYHQ-QHCPKHFHSA-N 1 0 384.564 4.391 20 0 GIADRO C[C@H](CCc1ccccc1)NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000062473740 823636892 /nfs/dbraw/zinc/63/68/92/823636892.db2.gz NUHFHLJALMQBHN-QGZVFWFLSA-N 1 0 389.490 4.059 20 0 GIADRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)NCc1ccc(Cl)cc1Cl ZINC000062473958 823636920 /nfs/dbraw/zinc/63/69/20/823636920.db2.gz ZLFZCKRFFQQYKX-UHFFFAOYSA-N 1 0 398.309 4.406 20 0 GIADRO Cn1cc(NC(=O)NCc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)cn1 ZINC000124919868 823637108 /nfs/dbraw/zinc/63/71/08/823637108.db2.gz VUZNPDTVKYXNAH-UHFFFAOYSA-N 1 0 389.503 4.005 20 0 GIADRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1)c1cccc(Cl)c1 ZINC000062474691 823637208 /nfs/dbraw/zinc/63/72/08/823637208.db2.gz PNIFOMROSICGRD-CQSZACIVSA-N 1 0 395.881 4.453 20 0 GIADRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)NCC1(c2ccccc2)CC1 ZINC000062477141 823637532 /nfs/dbraw/zinc/63/75/32/823637532.db2.gz ZGFKCTVIFQXJHC-UHFFFAOYSA-N 1 0 385.939 4.145 20 0 GIADRO C[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[C@@H]2c2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000412230138 823637732 /nfs/dbraw/zinc/63/77/32/823637732.db2.gz KSJLNTQPLNLTDT-DCXXXQMHSA-N 1 0 386.898 4.392 20 0 GIADRO COc1ccc(C[C@H](C)CN(C)C(=O)c2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000124931234 823637957 /nfs/dbraw/zinc/63/79/57/823637957.db2.gz NEGYJRWOQAVEKQ-IBGZPJMESA-N 1 0 380.532 4.242 20 0 GIADRO C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@@H](c1ccsc1)[NH+](CC)CC ZINC000062485663 823638150 /nfs/dbraw/zinc/63/81/50/823638150.db2.gz TVKMWFFHVOLGPE-FQEVSTJZSA-N 1 0 387.524 4.115 20 0 GIADRO O=C(N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)C1(c2cccc(F)c2)CCC1 ZINC000461442251 823638459 /nfs/dbraw/zinc/63/84/59/823638459.db2.gz FGUYRXYWIVSFCV-SFTDATJTSA-N 1 0 392.518 4.228 20 0 GIADRO C[C@@H](CC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(F)cc1F ZINC000124935831 823638535 /nfs/dbraw/zinc/63/85/35/823638535.db2.gz RHCMGQYFZAACJD-PKOBYXMFSA-N 1 0 386.486 4.139 20 0 GIADRO O=C(CCCc1ccc(Br)s1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000461442968 823638635 /nfs/dbraw/zinc/63/86/35/823638635.db2.gz JJSVAXANKGFKIP-OAHLLOKOSA-N 1 0 399.398 4.168 20 0 GIADRO Cc1[nH]c2ccc(C(=O)N3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@@H]4C3)cc2c1C ZINC000461445487 823639253 /nfs/dbraw/zinc/63/92/53/823639253.db2.gz RXQUAJQGNFRSJL-FCHUYYIVSA-N 1 0 387.527 4.379 20 0 GIADRO O=C([C@@H]1C[C@@H]1c1cccc(Cl)c1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461447064 823639422 /nfs/dbraw/zinc/63/94/22/823639422.db2.gz DXTRTDWWYWKJST-IRMYBRCSSA-N 1 0 394.946 4.424 20 0 GIADRO CCNC(=O)COc1cccc(C[NH2+][C@@H]2CCc3c2ccc(Cl)c3Cl)c1 ZINC000124948259 823639608 /nfs/dbraw/zinc/63/96/08/823639608.db2.gz IWXMCXYBIQWTQJ-GOSISDBHSA-N 1 0 393.314 4.285 20 0 GIADRO C[C@H](CC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)c1cccc(F)c1 ZINC000461447977 823639678 /nfs/dbraw/zinc/63/96/78/823639678.db2.gz NFWACJXGYLLTGK-STZQEDGTSA-N 1 0 380.507 4.300 20 0 GIADRO COc1cccc([C@H](C)CC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000461448037 823639797 /nfs/dbraw/zinc/63/97/97/823639797.db2.gz OHPWVGPUGGMWCJ-PTUXOGIPSA-N 1 0 392.543 4.169 20 0 GIADRO C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000412251240 823639988 /nfs/dbraw/zinc/63/99/88/823639988.db2.gz NEIRGAPONWTWEI-UHVFKWDWSA-N 1 0 382.935 4.470 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)c(CC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)s1 ZINC000461450043 823640206 /nfs/dbraw/zinc/64/02/06/823640206.db2.gz SDJFFZSKKIIPMZ-IBGZPJMESA-N 1 0 397.588 4.304 20 0 GIADRO C[C@H](NC(=O)NC1CC[NH+](CC2CCCCC2)CC1)c1ccc(F)cc1F ZINC000062529843 823640332 /nfs/dbraw/zinc/64/03/32/823640332.db2.gz VFTWZDLIXLTNEG-HNNXBMFYSA-N 1 0 379.495 4.370 20 0 GIADRO CC[C@@H](C(=O)N[C@@H](c1ccc(OC)cc1)c1ccccc1OC)[NH+](CC)CC ZINC000461451300 823640413 /nfs/dbraw/zinc/64/04/13/823640413.db2.gz DDVTWSIHZUGQAZ-UNMCSNQZSA-N 1 0 384.520 4.030 20 0 GIADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CC[C@H](C(F)(F)F)C(C)(C)C2)C1 ZINC000191035705 823640748 /nfs/dbraw/zinc/64/07/48/823640748.db2.gz MQWJYPGAODWBHN-CVEARBPZSA-N 1 0 377.495 4.119 20 0 GIADRO Cc1nc(CC(C)C)sc1C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461454906 823641110 /nfs/dbraw/zinc/64/11/10/823641110.db2.gz ISTRENGXPZRJME-VQTJNVASSA-N 1 0 397.588 4.244 20 0 GIADRO O=C(c1scnc1C1CCCC1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461454894 823641112 /nfs/dbraw/zinc/64/11/12/823641112.db2.gz IRDDXNJDPUPONH-PMACEKPBSA-N 1 0 395.572 4.395 20 0 GIADRO Cc1ccc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c(F)c1Cl ZINC000461455600 823641300 /nfs/dbraw/zinc/64/13/00/823641300.db2.gz LSUBKSFGSVNYJH-QZTJIDSGSA-N 1 0 386.898 4.382 20 0 GIADRO C[C@H](NC(=O)[C@H]1CC(C)(C)Oc2ccccc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000412263810 823641410 /nfs/dbraw/zinc/64/14/10/823641410.db2.gz ZXOMXIVLDHUQCY-VCOUNFBDSA-N 1 0 392.543 4.358 20 0 GIADRO C[C@H](Cc1ccccc1Cl)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461456963 823641427 /nfs/dbraw/zinc/64/14/27/823641427.db2.gz OLIHOQPAPUJPDU-BVYCBKJFSA-N 1 0 396.962 4.499 20 0 GIADRO O=C([C@@H]1C[C@@H]1c1cc(F)ccc1F)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461456682 823641526 /nfs/dbraw/zinc/64/15/26/823641526.db2.gz NREHIKBWLMKQIT-RMEPHLEKSA-N 1 0 396.481 4.049 20 0 GIADRO O=C(c1cccc(C[NH+]2CCCCC2)c1)N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000412266755 823641626 /nfs/dbraw/zinc/64/16/26/823641626.db2.gz ZMNZDQUZPZLOJF-VWLOTQADSA-N 1 0 390.527 4.334 20 0 GIADRO COc1ccc(OC)c([C@@H](O)C[NH2+][C@@H](C)c2cc(Cl)sc2Cl)c1 ZINC000124971617 823641699 /nfs/dbraw/zinc/64/16/99/823641699.db2.gz CCOZYEBZMSPBRZ-ZANVPECISA-N 1 0 376.305 4.456 20 0 GIADRO CC(C)(C)c1nc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cs1 ZINC000461459050 823642060 /nfs/dbraw/zinc/64/20/60/823642060.db2.gz YMNWDXGGMYQZAP-ZWKOTPCHSA-N 1 0 383.561 4.035 20 0 GIADRO CC(C)Nc1cc(F)ccc1NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000461461797 823642439 /nfs/dbraw/zinc/64/24/39/823642439.db2.gz WJFXXWBGRKIDFG-UHFFFAOYSA-N 1 0 398.526 4.187 20 0 GIADRO CC(C)(C)c1cnc(CCC(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)o1 ZINC000461466904 823643086 /nfs/dbraw/zinc/64/30/86/823643086.db2.gz LDXAIWOIGQEAHA-HXUWFJFHSA-N 1 0 397.563 4.323 20 0 GIADRO O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@H]1CCC(=O)c2ccccc21 ZINC000461468420 823643362 /nfs/dbraw/zinc/64/33/62/823643362.db2.gz JROYMYMTAXZQBZ-OFNKIYASSA-N 1 0 390.527 4.165 20 0 GIADRO CN(C)C(=O)Cc1nc(C[N@@H+]2CCCC[C@@H]2CCCc2ccccc2)cs1 ZINC000125006766 823644491 /nfs/dbraw/zinc/64/44/91/823644491.db2.gz MMLLHPPTWHBYIN-HXUWFJFHSA-N 1 0 385.577 4.151 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)c2nnc(CC(C)(C)C)n2Cc2cccs2)C[C@@H]1C ZINC000461476987 823644557 /nfs/dbraw/zinc/64/45/57/823644557.db2.gz FDSNJHRXIXEDAZ-DLBZAZTESA-N 1 0 389.613 4.286 20 0 GIADRO CC(C)c1nc(CCNC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)cs1 ZINC000125016154 823645428 /nfs/dbraw/zinc/64/54/28/823645428.db2.gz FAZQGWQOEJEKIY-UHFFFAOYSA-N 1 0 392.613 4.151 20 0 GIADRO CC(=O)c1cccc(O[C@@H](C)C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)c1 ZINC000062882243 823646669 /nfs/dbraw/zinc/64/66/69/823646669.db2.gz XPKZBDLTYXPQIV-IBGZPJMESA-N 1 0 394.515 4.324 20 0 GIADRO C[C@@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000191087740 823647107 /nfs/dbraw/zinc/64/71/07/823647107.db2.gz GVHOBURVXLFPRZ-LPHOPBHVSA-N 1 0 397.485 4.469 20 0 GIADRO COc1ccc(OC)c([C@H](O)C[NH2+][C@H](C)c2nc(-c3ccccc3)cs2)c1 ZINC000125043680 823647610 /nfs/dbraw/zinc/64/76/10/823647610.db2.gz OKVFCUMXELSDNZ-AUUYWEPGSA-N 1 0 384.501 4.212 20 0 GIADRO COc1ccc(OC)c([C@@H](O)C[NH2+][C@@H](C)c2ccc(SC(F)F)cc2)c1 ZINC000125046208 823647734 /nfs/dbraw/zinc/64/77/34/823647734.db2.gz OOENYDFBMNZXCZ-SJCJKPOMSA-N 1 0 383.460 4.403 20 0 GIADRO COc1cccc(CN(CC[NH+](C)C)C(=O)Nc2cc(Cl)ccc2C)c1 ZINC000191094168 823648168 /nfs/dbraw/zinc/64/81/68/823648168.db2.gz RCZQTHHNUWFUAC-UHFFFAOYSA-N 1 0 375.900 4.253 20 0 GIADRO CCC[N@H+](C)[C@@H](CNC(=O)CCc1scnc1C)c1ccc(Cl)cc1 ZINC000412342355 823648355 /nfs/dbraw/zinc/64/83/55/823648355.db2.gz ZKMDKTDWNGQCBB-KRWDZBQOSA-N 1 0 379.957 4.237 20 0 GIADRO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@@H+]1Cc1cc(C)nc2ccccc12 ZINC000125058285 823648631 /nfs/dbraw/zinc/64/86/31/823648631.db2.gz BHEMPIHSGCITRQ-JOCHJYFZSA-N 1 0 389.499 4.463 20 0 GIADRO O=C(Nc1ccc(Br)c(F)c1)c1cccc(C[NH+]2CCCC2)c1 ZINC000461498516 823649100 /nfs/dbraw/zinc/64/91/00/823649100.db2.gz TWQZWJCDZVKRSL-UHFFFAOYSA-N 1 0 377.257 4.436 20 0 GIADRO COCCCCc1cccnc1NC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412352839 823649122 /nfs/dbraw/zinc/64/91/22/823649122.db2.gz FGIVKMNIAFIBMR-UHFFFAOYSA-N 1 0 381.520 4.289 20 0 GIADRO COc1ccccc1[C@H](C[NH2+][C@H](C)c1cnn(C(C)(C)C)c1C)N1CCCC1 ZINC000191113543 823650376 /nfs/dbraw/zinc/65/03/76/823650376.db2.gz FNELRZMBHWNMOR-UTKZUKDTSA-N 1 0 384.568 4.443 20 0 GIADRO Cc1oc(-c2cccs2)nc1C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000063080125 823650440 /nfs/dbraw/zinc/65/04/40/823650440.db2.gz MHIXAJUPFAGWDQ-UHFFFAOYSA-N 1 0 395.528 4.354 20 0 GIADRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)c1csc(-c2ccccc2)n1 ZINC000063080808 823650479 /nfs/dbraw/zinc/65/04/79/823650479.db2.gz BBPDWZZXWXHXBD-UHFFFAOYSA-N 1 0 391.540 4.452 20 0 GIADRO COc1ccc(S[C@H](C)C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000063081660 823650686 /nfs/dbraw/zinc/65/06/86/823650686.db2.gz ZQIIFQYBVVQNMF-GOSISDBHSA-N 1 0 398.572 4.204 20 0 GIADRO Cc1ccc(C(=O)N2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)nc1C ZINC000412379045 823650937 /nfs/dbraw/zinc/65/09/37/823650937.db2.gz VRCNYEIOURCUCP-QHCPKHFHSA-N 1 0 391.559 4.461 20 0 GIADRO C[C@@H](CC(F)F)C(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000412377674 823650953 /nfs/dbraw/zinc/65/09/53/823650953.db2.gz SKQSLBIKSJDEOE-JXFKEZNVSA-N 1 0 378.507 4.427 20 0 GIADRO Cc1nn(-c2cccc(F)c2)cc1C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000412382612 823651228 /nfs/dbraw/zinc/65/12/28/823651228.db2.gz WSLYKLXRGGUQFI-NRFANRHFSA-N 1 0 378.451 4.121 20 0 GIADRO Oc1ccc2ccncc2c1C[N@@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000063125794 823652189 /nfs/dbraw/zinc/65/21/89/823652189.db2.gz NWQNINPMWUBFMZ-HXUWFJFHSA-N 1 0 399.288 4.276 20 0 GIADRO Cc1cc(O)c(C[N@@H+]2CCO[C@@H](c3ccc(Br)cc3)C2)cc1C ZINC000063125708 823652212 /nfs/dbraw/zinc/65/22/12/823652212.db2.gz MARASLXXRQIUFO-LJQANCHMSA-N 1 0 376.294 4.345 20 0 GIADRO CCOc1ccc(Oc2ccc(NC(=S)NC3CC[NH+](C)CC3)cc2)cc1 ZINC000063143497 823652537 /nfs/dbraw/zinc/65/25/37/823652537.db2.gz YZEFVVIYRWDCSG-UHFFFAOYSA-N 1 0 385.533 4.258 20 0 GIADRO Fc1ccc(NC(=S)NC2CC[NH+](Cc3ccccc3)CC2)c(F)c1F ZINC000063142604 823652562 /nfs/dbraw/zinc/65/25/62/823652562.db2.gz UQQNJBKXOGPKBK-UHFFFAOYSA-N 1 0 379.451 4.055 20 0 GIADRO Cc1cc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c(C)n1-c1nccs1 ZINC000125116718 823652674 /nfs/dbraw/zinc/65/26/74/823652674.db2.gz QBDARELGCQVRAO-GOSISDBHSA-N 1 0 398.532 4.101 20 0 GIADRO S=C(N[C@@H]1CCc2c1cccc2Cl)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000063172836 823653919 /nfs/dbraw/zinc/65/39/19/823653919.db2.gz FYFMUIVRNCPSSF-OAQYLSRUSA-N 1 0 399.991 4.456 20 0 GIADRO C=CCOc1cccc(NC(=S)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000063172853 823653924 /nfs/dbraw/zinc/65/39/24/823653924.db2.gz VXBCCACXDCUTNG-UHFFFAOYSA-N 1 0 381.545 4.202 20 0 GIADRO O=C(c1ccccc1)N1CCC(C[NH2+]Cc2ccc(OCC3CC3)cc2)CC1 ZINC000191151347 823654031 /nfs/dbraw/zinc/65/40/31/823654031.db2.gz DZNITOSPNCRNFZ-UHFFFAOYSA-N 1 0 378.516 4.117 20 0 GIADRO CC(C)[C@@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=S)NC1CC1)[NH+](C)C ZINC000063179231 823654317 /nfs/dbraw/zinc/65/43/17/823654317.db2.gz KGEPAXOPKXQGPD-QGZVFWFLSA-N 1 0 388.408 4.419 20 0 GIADRO CC[C@@H](C(=O)NC(C)(C)c1nc(C(F)(F)F)cs1)[N@H+](C)Cc1ccccc1 ZINC000412419743 823654368 /nfs/dbraw/zinc/65/43/68/823654368.db2.gz REYXKWFOZXKXDQ-AWEZNQCLSA-N 1 0 399.482 4.424 20 0 GIADRO CC[C@H](C(=O)NC(C)(C)c1nc(C(F)(F)F)cs1)[N@H+](C)Cc1ccccc1 ZINC000412419744 823654393 /nfs/dbraw/zinc/65/43/93/823654393.db2.gz REYXKWFOZXKXDQ-CQSZACIVSA-N 1 0 399.482 4.424 20 0 GIADRO O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000412430614 823654959 /nfs/dbraw/zinc/65/49/59/823654959.db2.gz VOEUHBZCYLTLHM-SFTDATJTSA-N 1 0 384.589 4.348 20 0 GIADRO C[N@@H+](Cc1ccc(OCc2ccccc2)c(Br)c1)CC1CC(O)C1 ZINC000191168834 823655573 /nfs/dbraw/zinc/65/55/73/823655573.db2.gz VQICNRCZONWZBJ-UHFFFAOYSA-N 1 0 390.321 4.231 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)c1 ZINC000191169880 823655766 /nfs/dbraw/zinc/65/57/66/823655766.db2.gz ARVCOVMVWSGNQV-HOTGVXAUSA-N 1 0 377.529 4.016 20 0 GIADRO Cc1c([C@@H](C)[NH2+]C2CCN(C(=O)c3ccccc3F)CC2)cnn1C(C)(C)C ZINC000191173351 823656166 /nfs/dbraw/zinc/65/61/66/823656166.db2.gz LTDPRIAGJKTPFQ-OAHLLOKOSA-N 1 0 386.515 4.041 20 0 GIADRO C[N@H+](CCCNC(=O)CCc1ccc(Br)cc1F)C1CCCCC1 ZINC000063241686 823656283 /nfs/dbraw/zinc/65/62/83/823656283.db2.gz RCUHKFGXHBHCTL-UHFFFAOYSA-N 1 0 399.348 4.292 20 0 GIADRO CCO[C@@H]1C[C@H](NC(=O)C2CC[NH+](Cc3ccccc3)CC2)C12CCCCC2 ZINC000461549171 823657039 /nfs/dbraw/zinc/65/70/39/823657039.db2.gz VWARIVFRAOVQBE-FCHUYYIVSA-N 1 0 384.564 4.143 20 0 GIADRO CC[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)C1 ZINC000125197414 823658476 /nfs/dbraw/zinc/65/84/76/823658476.db2.gz RANMZZXNUXHYNQ-IRXDYDNUSA-N 1 0 395.503 4.006 20 0 GIADRO Cc1csc(CCCCNC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)n1 ZINC000125198394 823658739 /nfs/dbraw/zinc/65/87/39/823658739.db2.gz AGQPAONHQIOOFK-UHFFFAOYSA-N 1 0 392.613 4.117 20 0 GIADRO CC(=O)c1ccc2c(c1)CN(C(=O)[C@@]13CCC[C@@H]1C[N@H+](Cc1ccccc1)C3)C2 ZINC000412530849 823659514 /nfs/dbraw/zinc/65/95/14/823659514.db2.gz DKUMDVOAHFSKGR-ILBGXUMGSA-N 1 0 388.511 4.034 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNc3nc4ccccc4nc3C)CC2)cc1 ZINC000063282521 823659666 /nfs/dbraw/zinc/65/96/66/823659666.db2.gz STTPHWWFMWVAIM-UHFFFAOYSA-N 1 0 376.504 4.271 20 0 GIADRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@@H](O)c1ccc(C(C)(C)C)cc1 ZINC000125230614 823660718 /nfs/dbraw/zinc/66/07/18/823660718.db2.gz ZVEIYSMYBWNPGV-KBXCAEBGSA-N 1 0 389.927 4.073 20 0 GIADRO C[NH+](C)Cc1ccc(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)c(F)c1 ZINC000412544879 823660897 /nfs/dbraw/zinc/66/08/97/823660897.db2.gz HLDCZGMQDOKWPW-UHFFFAOYSA-N 1 0 378.451 4.203 20 0 GIADRO O=C(NCCc1cccs1)C1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000063301486 823661112 /nfs/dbraw/zinc/66/11/12/823661112.db2.gz MAVRZXCEITUNKW-UHFFFAOYSA-N 1 0 396.478 4.338 20 0 GIADRO CCOc1cccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2OC(F)F)c1 ZINC000063311665 823661640 /nfs/dbraw/zinc/66/16/40/823661640.db2.gz PZVHXBTXLCXACP-KGLIPLIRSA-N 1 0 378.419 4.365 20 0 GIADRO CC(=O)Nc1cc(C(=O)Nc2ccc(C[NH+](C)C)cc2F)cc(C(F)(F)F)c1 ZINC000412555614 823662026 /nfs/dbraw/zinc/66/20/26/823662026.db2.gz CGUBNQRWAPGTDT-UHFFFAOYSA-N 1 0 397.372 4.117 20 0 GIADRO CC(C)c1c(C(=O)NC2CC[NH+](C(C)C)CC2)cnn1-c1ccccc1Cl ZINC000191237210 823662031 /nfs/dbraw/zinc/66/20/31/823662031.db2.gz UGHPGRVYLPCUAN-UHFFFAOYSA-N 1 0 388.943 4.252 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)C[C@H](C)c1ccc(F)cc1F ZINC000412560003 823662109 /nfs/dbraw/zinc/66/21/09/823662109.db2.gz AFJBEHWDXYTNAG-AWEZNQCLSA-N 1 0 392.446 4.046 20 0 GIADRO COc1ccc(-c2cnc(CCC(=O)Nc3ccc(C[NH+](C)C)cc3F)o2)cc1 ZINC000412557778 823662203 /nfs/dbraw/zinc/66/22/03/823662203.db2.gz JLADRPMAASGTQC-UHFFFAOYSA-N 1 0 397.450 4.122 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)[C@@H](C)c1cccc(Cl)c1 ZINC000412566994 823663136 /nfs/dbraw/zinc/66/31/36/823663136.db2.gz WJAFTJCMSARIJO-AWEZNQCLSA-N 1 0 376.884 4.031 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)Cc1coc2c1ccc(C)c2C ZINC000412567270 823663143 /nfs/dbraw/zinc/66/31/43/823663143.db2.gz XRDKTKAJIKWYKX-UHFFFAOYSA-N 1 0 396.487 4.180 20 0 GIADRO Cc1ccc(CC(=O)Nc2ccc(C[NH+](C)C)cc2F)c(Br)c1 ZINC000412569266 823663243 /nfs/dbraw/zinc/66/32/43/823663243.db2.gz HBNAOVZNXSOZHC-UHFFFAOYSA-N 1 0 379.273 4.139 20 0 GIADRO O=C(NC1CC[NH+](CC2CCCC2)CC1)N1CCC(OCc2ccccc2)CC1 ZINC000063333618 823663587 /nfs/dbraw/zinc/66/35/87/823663587.db2.gz JDTSRPBQMHAYKG-UHFFFAOYSA-N 1 0 399.579 4.032 20 0 GIADRO Cc1cccc(C(C)(C)CNC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000063335929 823663944 /nfs/dbraw/zinc/66/39/44/823663944.db2.gz NLUUSEWSHPMEFM-UHFFFAOYSA-N 1 0 397.538 4.376 20 0 GIADRO C[C@H](C(=O)Nc1ccc(C[NH+](C)C)cc1F)c1cccc(Br)c1 ZINC000412580209 823664228 /nfs/dbraw/zinc/66/42/28/823664228.db2.gz QMMIWBACBUAPMA-LBPRGKRZSA-N 1 0 379.273 4.392 20 0 GIADRO C[C@@H](NC(=O)CCc1ccc(Cl)cc1Cl)C1([NH+]2CCOCC2)CCCC1 ZINC000461581896 823664443 /nfs/dbraw/zinc/66/44/43/823664443.db2.gz URRDNTLJZVALRC-OAHLLOKOSA-N 1 0 399.362 4.076 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(C(C)(C)C)cc1)c1cccc(N2CCOC2=O)c1 ZINC000125280511 823664528 /nfs/dbraw/zinc/66/45/28/823664528.db2.gz TVEQHMPCWMMIID-IIBYNOLFSA-N 1 0 382.504 4.325 20 0 GIADRO CC[C@@H](C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1)c1ccc(F)cc1 ZINC000125282508 823664746 /nfs/dbraw/zinc/66/47/46/823664746.db2.gz JMPVFMNCXGNARR-XMSQKQJNSA-N 1 0 398.522 4.336 20 0 GIADRO Cc1c([C@H](C)[NH2+]CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cnn1C(C)C ZINC000191276517 823666450 /nfs/dbraw/zinc/66/64/50/823666450.db2.gz BTQQSIQWRVYVAU-WMZOPIPTSA-N 1 0 378.561 4.460 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)ccc1OC(C)C ZINC000125314870 823667214 /nfs/dbraw/zinc/66/72/14/823667214.db2.gz GAVAATRLZFRCPW-DLBZAZTESA-N 1 0 380.492 4.475 20 0 GIADRO CCOCCOc1c(Cl)cccc1NC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000063398246 823667839 /nfs/dbraw/zinc/66/78/39/823667839.db2.gz QMPRQINCZPJABZ-UHFFFAOYSA-N 1 0 397.947 4.141 20 0 GIADRO CCOCCOc1c(Cl)cccc1NC(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000063397788 823667848 /nfs/dbraw/zinc/66/78/48/823667848.db2.gz NQEGOTHXZBSNOT-HOTGVXAUSA-N 1 0 397.947 4.140 20 0 GIADRO Cc1ccc(-n2cccn2)cc1NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000191292150 823668403 /nfs/dbraw/zinc/66/84/03/823668403.db2.gz QJXJVTFBGSZRMB-UHFFFAOYSA-N 1 0 395.551 4.301 20 0 GIADRO COc1ccc2c(c1NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)CCC2 ZINC000191299211 823668919 /nfs/dbraw/zinc/66/89/19/823668919.db2.gz SKZBRRSZJGCSIZ-UHFFFAOYSA-N 1 0 393.531 4.312 20 0 GIADRO Cc1ncc([C@@H](C)[NH2+]C2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c(C)n1 ZINC000125353247 823670029 /nfs/dbraw/zinc/67/00/29/823670029.db2.gz RHNKUVKWRJRPRP-OAHLLOKOSA-N 1 0 392.469 4.427 20 0 GIADRO CN(C(=O)N[C@H]1CCCc2c(O)cccc21)C1CC[NH+](Cc2ccccc2)CC1 ZINC000191315016 823670577 /nfs/dbraw/zinc/67/05/77/823670577.db2.gz DPRBRWLGAORJKT-QFIPXVFZSA-N 1 0 393.531 4.076 20 0 GIADRO CCCN(CCC[NH+](C)C)C(=O)Nc1ccc(C)cc1OCC(F)(F)F ZINC000191316389 823670794 /nfs/dbraw/zinc/67/07/94/823670794.db2.gz IYMZSKPYXLTKHU-UHFFFAOYSA-N 1 0 375.435 4.132 20 0 GIADRO C[C@H](CC1CCOCC1)[NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000125379962 823671841 /nfs/dbraw/zinc/67/18/41/823671841.db2.gz WIJKVRSJWANYMI-MRXNPFEDSA-N 1 0 384.486 4.465 20 0 GIADRO COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@H](C)c1cnn(C(C)C)c1C ZINC000191326770 823672221 /nfs/dbraw/zinc/67/22/21/823672221.db2.gz IRVSEJRCUZWCDX-CQSZACIVSA-N 1 0 392.931 4.422 20 0 GIADRO CC(C)Oc1ccc([C@H](O)C[NH2+][C@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)cc1 ZINC000125392530 823672803 /nfs/dbraw/zinc/67/28/03/823672803.db2.gz OYGLAPLFFLWETH-QVKFZJNVSA-N 1 0 382.504 4.088 20 0 GIADRO C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)CC1 ZINC000125392729 823672828 /nfs/dbraw/zinc/67/28/28/823672828.db2.gz LJVJLSVRRUPAPH-GOSISDBHSA-N 1 0 391.515 4.028 20 0 GIADRO CCOc1ccccc1CN(C)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000063463837 823673197 /nfs/dbraw/zinc/67/31/97/823673197.db2.gz JZHSWDVPGOYKBN-OAQYLSRUSA-N 1 0 395.547 4.139 20 0 GIADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1ccc(Oc2ccncc2)c(Cl)c1 ZINC000461635080 823673294 /nfs/dbraw/zinc/67/32/94/823673294.db2.gz ZRWKMRAWGALVEN-OAHLLOKOSA-N 1 0 375.900 4.378 20 0 GIADRO CN(Cc1ccc(F)cc1F)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000063464503 823673397 /nfs/dbraw/zinc/67/33/97/823673397.db2.gz AGZIPVNSMIIOLG-GOSISDBHSA-N 1 0 387.474 4.018 20 0 GIADRO CC[C@H](NC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(OC)cc1 ZINC000063464622 823673411 /nfs/dbraw/zinc/67/34/11/823673411.db2.gz LKDDICYZOVSHFR-OFNKIYASSA-N 1 0 395.547 4.358 20 0 GIADRO O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000412679800 823674115 /nfs/dbraw/zinc/67/41/15/823674115.db2.gz RWSNGYUGEQRTJL-SFTDATJTSA-N 1 0 384.589 4.000 20 0 GIADRO CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)[C@@H](CC)[NH+](CC)CC ZINC000461646045 823674673 /nfs/dbraw/zinc/67/46/73/823674673.db2.gz CXSSHMORVFSFTF-QGZVFWFLSA-N 1 0 392.931 4.249 20 0 GIADRO CC(C)CC[C@@H]1CCC[C@H]1[NH2+]CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000191347032 823674836 /nfs/dbraw/zinc/67/48/36/823674836.db2.gz RXFLPRJWECZKFB-SIKLNZKXSA-N 1 0 399.579 4.058 20 0 GIADRO Cc1ccc(N2CCC[C@H]([NH2+][C@@H](C)CC(=O)Nc3cccnc3Cl)C2)cc1 ZINC000125424686 823675246 /nfs/dbraw/zinc/67/52/46/823675246.db2.gz CQCNVWNRYYBEMW-IRXDYDNUSA-N 1 0 386.927 4.019 20 0 GIADRO Cc1cccc(N2CCN(CCC[NH2+]Cc3cnc(C(C)(C)C)s3)CC2)c1 ZINC000063510841 823677088 /nfs/dbraw/zinc/67/70/88/823677088.db2.gz CFQCCRZEUOPBSN-UHFFFAOYSA-N 1 0 386.609 4.051 20 0 GIADRO COc1ccc([C@@H](O)C[NH2+][C@H](C)c2sc(Cc3ccccc3)nc2C)cc1 ZINC000125451473 823677203 /nfs/dbraw/zinc/67/72/03/823677203.db2.gz DABRADASSOBUIX-QRWLVFNGSA-N 1 0 382.529 4.435 20 0 GIADRO C[C@H]([NH2+]C1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1csc(Cl)c1 ZINC000191368562 823677472 /nfs/dbraw/zinc/67/74/72/823677472.db2.gz MUWRMOJLEKAGFT-AWEZNQCLSA-N 1 0 398.981 4.047 20 0 GIADRO Cc1c([C@@H](C)[NH2+]C[C@H](CO)Cc2ccc(OC(F)(F)F)cc2)cnn1C(C)C ZINC000191383118 823678716 /nfs/dbraw/zinc/67/87/16/823678716.db2.gz GFRAOJNLPHUEJA-RHSMWYFYSA-N 1 0 399.457 4.173 20 0 GIADRO COc1ccc2oc(C[NH2+]CCCc3nnc(SC)n3CC(C)C)cc2c1 ZINC000125473942 823679086 /nfs/dbraw/zinc/67/90/86/823679086.db2.gz SYTAJATUSSFUGP-UHFFFAOYSA-N 1 0 388.537 4.133 20 0 GIADRO CCC1(CC)[C@H]([NH2+]Cc2nnc(-c3ccccc3Br)o2)C[C@H]1OC ZINC000191388677 823679217 /nfs/dbraw/zinc/67/92/17/823679217.db2.gz AEUFVUFYLYASCT-HUUCEWRRSA-N 1 0 394.313 4.182 20 0 GIADRO COc1ccc(Cl)cc1C1(C[NH2+]Cc2ccc(F)cc2F)CCOCC1 ZINC000063558765 823679215 /nfs/dbraw/zinc/67/92/15/823679215.db2.gz FDFROFODYGTTIV-UHFFFAOYSA-N 1 0 381.850 4.465 20 0 GIADRO CC(C)(C)[N@@H+]1CCCN(C(=S)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000063566899 823679959 /nfs/dbraw/zinc/67/99/59/823679959.db2.gz JZMDPASBDBJBHN-UHFFFAOYSA-N 1 0 375.460 4.088 20 0 GIADRO C[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2cc3cc(Br)ccc3[nH]2)CC1 ZINC000125485042 823679980 /nfs/dbraw/zinc/67/99/80/823679980.db2.gz DEJKYVVUKLVNFG-ZDUSSCGKSA-N 1 0 390.325 4.019 20 0 GIADRO CC[C@H](C(=O)N1CCCC[C@@H]1c1nc(-c2cccc(F)c2)c[nH]1)[NH+](CC)CC ZINC000461682673 823680668 /nfs/dbraw/zinc/68/06/68/823680668.db2.gz OROUSSYRXLTUSM-WOJBJXKFSA-N 1 0 386.515 4.390 20 0 GIADRO C[C@@H](NC(=O)CCSc1ccc(Br)cc1)C(C)(C)C[NH+](C)C ZINC000461686988 823681311 /nfs/dbraw/zinc/68/13/11/823681311.db2.gz NPNOFTANNYADGL-CYBMUJFWSA-N 1 0 387.387 4.024 20 0 GIADRO CC[C@H](CC(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccc(C)cc1 ZINC000412781270 823682126 /nfs/dbraw/zinc/68/21/26/823682126.db2.gz TVSFXLWHWQJMSC-JOCHJYFZSA-N 1 0 394.559 4.022 20 0 GIADRO CC(C)Cc1nc(C(=O)Nc2ccc(N(C)C3CC[NH+](C)CC3)cc2)cs1 ZINC000063596526 823682174 /nfs/dbraw/zinc/68/21/74/823682174.db2.gz PXBXMXMWWRNPNQ-UHFFFAOYSA-N 1 0 386.565 4.124 20 0 GIADRO CC[C@H](CN(CC)C(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1C)c1ccccc1 ZINC000191413500 823682479 /nfs/dbraw/zinc/68/24/79/823682479.db2.gz IJJZPDZRFHDWRK-HXUWFJFHSA-N 1 0 395.547 4.037 20 0 GIADRO COc1cccc([C@H](O)C[N@H+](CCc2csc(C)n2)Cc2ccccc2)c1 ZINC000125524315 823682694 /nfs/dbraw/zinc/68/26/94/823682694.db2.gz JTLMPOABFNZVJX-JOCHJYFZSA-N 1 0 382.529 4.238 20 0 GIADRO Cc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2N2CCCC2=O)cc1C ZINC000063619598 823683706 /nfs/dbraw/zinc/68/37/06/823683706.db2.gz COEVZMIWLQTKHL-OAQYLSRUSA-N 1 0 391.515 4.206 20 0 GIADRO NC(=O)[C@@H]([NH2+]CC1(c2cccc(C(F)(F)F)c2)CCCC1)c1ccccc1 ZINC000063631278 823685160 /nfs/dbraw/zinc/68/51/60/823685160.db2.gz UDBXCLXVUZUUMT-SFHVURJKSA-N 1 0 376.422 4.333 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)Nc2ccc([C@H](C)C(=O)OC)cc2)cc1)C(C)C ZINC000412821194 823685579 /nfs/dbraw/zinc/68/55/79/823685579.db2.gz ZLWSZGBGRZBTTP-KRWDZBQOSA-N 1 0 382.504 4.446 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)cnn1C(C)C ZINC000191459844 823687585 /nfs/dbraw/zinc/68/75/85/823687585.db2.gz OHIGVPTWNYJQPE-KPZWWZAWSA-N 1 0 378.879 4.021 20 0 GIADRO FC(F)(F)COCc1cccc(C[NH2+]Cc2ccc(Br)o2)c1 ZINC000191463687 823687872 /nfs/dbraw/zinc/68/78/72/823687872.db2.gz HLNFDYYUMYVTDZ-UHFFFAOYSA-N 1 0 378.188 4.411 20 0 GIADRO c1cc(COC2CCOCC2)ccc1C[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000191465685 823688078 /nfs/dbraw/zinc/68/80/78/823688078.db2.gz SBDMXWBLILYIHH-UHFFFAOYSA-N 1 0 381.516 4.461 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)c1ccc(Br)o1 ZINC000063679975 823688979 /nfs/dbraw/zinc/68/89/79/823688979.db2.gz KDEGBNGRPMTETG-UHFFFAOYSA-N 1 0 391.309 4.348 20 0 GIADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2csc(-c3cccc(Cl)c3)n2)C1 ZINC000063693186 823689667 /nfs/dbraw/zinc/68/96/67/823689667.db2.gz GQBKOMUDJDCHTN-CQSZACIVSA-N 1 0 377.941 4.314 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@H]2CCCN(c3cccc(F)c3)C2)cc(OC)c1OC ZINC000125613975 823690145 /nfs/dbraw/zinc/69/01/45/823690145.db2.gz YLLUXOLPHRGHMH-YJBOKZPZSA-N 1 0 388.483 4.171 20 0 GIADRO Cc1cc(Br)ccc1SCC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000063710472 823690273 /nfs/dbraw/zinc/69/02/73/823690273.db2.gz UFVUJNDPLNJXIJ-OAHLLOKOSA-N 1 0 399.398 4.086 20 0 GIADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)C2(c3ccc(Br)cc3)CCCC2)C1 ZINC000063707123 823690343 /nfs/dbraw/zinc/69/03/43/823690343.db2.gz FTTFEUUUNWWQND-MRXNPFEDSA-N 1 0 393.369 4.107 20 0 GIADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2cccc(OCc3cccc(Cl)c3)c2)C1 ZINC000063705875 823690357 /nfs/dbraw/zinc/69/03/57/823690357.db2.gz YXAITFUBFNDTDV-GOSISDBHSA-N 1 0 386.923 4.379 20 0 GIADRO COc1cccc([C@@H]2[C@H]([NH2+][C@H](C)c3cnn(C(C)C)c3C)CCN2C2CC2)c1 ZINC000191487717 823690402 /nfs/dbraw/zinc/69/04/02/823690402.db2.gz CSMQUFJBDBZXFN-ZGNKEGEESA-N 1 0 382.552 4.410 20 0 GIADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)CCCOc2cccc(Cl)c2Cl)C1 ZINC000063711011 823690512 /nfs/dbraw/zinc/69/05/12/823690512.db2.gz UAMSLXRSJXQFFR-OAHLLOKOSA-N 1 0 387.351 4.389 20 0 GIADRO Brc1cccc([C@@H]([NH2+]CCc2cccnc2)C2CCOCC2)c1 ZINC000191493137 823691049 /nfs/dbraw/zinc/69/10/49/823691049.db2.gz VWYTXWMKTCXQOV-IBGZPJMESA-N 1 0 375.310 4.144 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(N3C[C@H](C)O[C@@H](C)C3)nc1)CCS2 ZINC000191496174 823691394 /nfs/dbraw/zinc/69/13/94/823691394.db2.gz GGXOGMICNCNVDD-TWOQFEAHSA-N 1 0 399.560 4.031 20 0 GIADRO CC(C)(C)[N@@H+]1CCCN(C(=O)CCSc2ccccc2Br)CC1 ZINC000063722524 823691513 /nfs/dbraw/zinc/69/15/13/823691513.db2.gz ZSJYYAHMYZVVCF-UHFFFAOYSA-N 1 0 399.398 4.264 20 0 GIADRO Cc1nn(-c2ccc(C(=O)N3CCC[N@@H+](C(C)(C)C)CC3)cc2)c(C)c1Cl ZINC000063725503 823691984 /nfs/dbraw/zinc/69/19/84/823691984.db2.gz AJKKOFPVWCNYJQ-UHFFFAOYSA-N 1 0 388.943 4.089 20 0 GIADRO Cc1noc(C)c1C[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000191501539 823692067 /nfs/dbraw/zinc/69/20/67/823692067.db2.gz LAZHPDLUGKJBNX-GOSISDBHSA-N 1 0 379.298 4.311 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3cccc(F)c3)C2)cc1NC(C)=O ZINC000125652092 823693669 /nfs/dbraw/zinc/69/36/69/823693669.db2.gz ZREIYMBERFVAFF-HNAYVOBHSA-N 1 0 385.483 4.112 20 0 GIADRO Cc1cccc(C)c1-n1nnnc1C[N@H+](CCc1ccccc1)C1CCCC1 ZINC000063754617 823693676 /nfs/dbraw/zinc/69/36/76/823693676.db2.gz OWJLOXJESDIOEE-UHFFFAOYSA-N 1 0 375.520 4.266 20 0 GIADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2csc(-c3ccccc3F)n2)C1 ZINC000063758203 823693777 /nfs/dbraw/zinc/69/37/77/823693777.db2.gz NQMHBBCLBAJULN-OAHLLOKOSA-N 1 0 375.513 4.191 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)CCC(=O)c2ccc3c(c2)CCC3)C1 ZINC000063758668 823693933 /nfs/dbraw/zinc/69/39/33/823693933.db2.gz WCBLMUSHGFLUJP-KDURUIRLSA-N 1 0 384.564 4.013 20 0 GIADRO COc1cc(C[N@H+](C)[C@@H](CO)c2cccc(Br)c2)ccc1SC ZINC000125656826 823694137 /nfs/dbraw/zinc/69/41/37/823694137.db2.gz TVXFBQYEMBAJNW-INIZCTEOSA-N 1 0 396.350 4.345 20 0 GIADRO CCCn1ccnc1CCC[N@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000191518432 823694600 /nfs/dbraw/zinc/69/46/00/823694600.db2.gz WKJJFYBYYNWHKL-ROUUACIJSA-N 1 0 396.535 4.170 20 0 GIADRO CCC[C@@H](CCO)C[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000191520448 823694779 /nfs/dbraw/zinc/69/47/79/823694779.db2.gz XKZNPJXFWSACIS-HNAYVOBHSA-N 1 0 384.358 4.305 20 0 GIADRO CC(C)C[NH+]1CCC(NC(=O)C[C@H](C)c2ccc(F)c(Br)c2)CC1 ZINC000461786882 823695291 /nfs/dbraw/zinc/69/52/91/823695291.db2.gz SHUKUXWRMWKQAA-AWEZNQCLSA-N 1 0 399.348 4.318 20 0 GIADRO COc1ccc(Cc2nnc(S[C@@H]3CC[N@H+](Cc4ccccc4)C3)o2)cc1 ZINC000412974917 823695980 /nfs/dbraw/zinc/69/59/80/823695980.db2.gz DPRIESGDSASFAB-LJQANCHMSA-N 1 0 381.501 4.036 20 0 GIADRO COc1ccc(Cc2nnc(S[C@H]3CC[N@H+](Cc4ccccc4)C3)o2)cc1 ZINC000412974914 823695997 /nfs/dbraw/zinc/69/59/97/823695997.db2.gz DPRIESGDSASFAB-IBGZPJMESA-N 1 0 381.501 4.036 20 0 GIADRO CC(C)c1nccn1Cc1cccc(NC(=O)NCCC[NH2+]C2CCCCC2)c1 ZINC000125679884 823696016 /nfs/dbraw/zinc/69/60/16/823696016.db2.gz ROUHAKDWQUMXFF-UHFFFAOYSA-N 1 0 397.567 4.489 20 0 GIADRO C[C@H](O)CC(C)(C)C[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000191533107 823696695 /nfs/dbraw/zinc/69/66/95/823696695.db2.gz OOMUKJFCGMRINE-KBXCAEBGSA-N 1 0 384.358 4.304 20 0 GIADRO CCCN(CCC[NH+](C)C)C(=O)N[C@H](C)c1ccc(Br)cc1F ZINC000461803438 823697884 /nfs/dbraw/zinc/69/78/84/823697884.db2.gz QEPNNDFVJIYRHI-CYBMUJFWSA-N 1 0 388.325 4.023 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+]C1CCN([C@@H](C)c3ccncc3)CC1)CCS2 ZINC000191536430 823697170 /nfs/dbraw/zinc/69/71/70/823697170.db2.gz XUPSHUXERPFSJT-HRAATJIYSA-N 1 0 383.561 4.442 20 0 GIADRO CCCC[N@H+](C)C[C@H](C)NC(=O)N(CC)Cc1cccc(-c2ccncc2)c1 ZINC000461802218 823697455 /nfs/dbraw/zinc/69/74/55/823697455.db2.gz QNPPFHRHWOWJQV-IBGZPJMESA-N 1 0 382.552 4.401 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)N1CCc2sccc2C1 ZINC000063799646 823697965 /nfs/dbraw/zinc/69/79/65/823697965.db2.gz KYPQHDGKBOFUOZ-UHFFFAOYSA-N 1 0 383.561 4.392 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)NCc1cc(F)cc(F)c1 ZINC000063799259 823697969 /nfs/dbraw/zinc/69/79/69/823697969.db2.gz SXNUKWDYGWKIRP-UHFFFAOYSA-N 1 0 387.474 4.340 20 0 GIADRO CCOC(=O)N(C)c1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000063804504 823698513 /nfs/dbraw/zinc/69/85/13/823698513.db2.gz AHELXKKIHNDQMW-LJQANCHMSA-N 1 0 395.503 4.130 20 0 GIADRO O=c1cc(CSCc2cccc(C[NH+]3CCCCC3)c2)nc2ccccn12 ZINC000412998629 823699212 /nfs/dbraw/zinc/69/92/12/823699212.db2.gz YRXYJOKEKWSBFE-UHFFFAOYSA-N 1 0 379.529 4.114 20 0 GIADRO CCOC(=O)c1csc(CC[NH2+][C@H](C)c2cccc(OC(F)(F)F)c2)n1 ZINC000191559016 823699616 /nfs/dbraw/zinc/69/96/16/823699616.db2.gz IHOFFRIMGVJSTN-LLVKDONJSA-N 1 0 388.411 4.112 20 0 GIADRO Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N(CC[NH+](C)C)c1ccccc1 ZINC000063829475 823700042 /nfs/dbraw/zinc/70/00/42/823700042.db2.gz LTQBMDSGODNNDP-UHFFFAOYSA-N 1 0 396.922 4.102 20 0 GIADRO CCOC(=O)c1csc(CC[NH2+][C@H](C)c2cc3cccc(OCC)c3o2)n1 ZINC000191563455 823700132 /nfs/dbraw/zinc/70/01/32/823700132.db2.gz ASFKYMVCWQZSKW-CYBMUJFWSA-N 1 0 388.489 4.358 20 0 GIADRO Cc1cc(C)cc(-c2nnc(NC(=O)N3CC[C@H](C[NH+]4CCCCC4)C3)s2)c1 ZINC000163302478 823700352 /nfs/dbraw/zinc/70/03/52/823700352.db2.gz GOMDDFUGQMYBKO-QGZVFWFLSA-N 1 0 399.564 4.162 20 0 GIADRO Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000163307166 823700777 /nfs/dbraw/zinc/70/07/77/823700777.db2.gz MWQIYKQPTYTWQP-MRXNPFEDSA-N 1 0 393.597 4.139 20 0 GIADRO O=C(Nc1ccc(F)cc1)NC1CC[NH+](Cc2ccc(OC(F)F)cc2)CC1 ZINC000125728195 823700860 /nfs/dbraw/zinc/70/08/60/823700860.db2.gz NLDANRXTWOBYHS-UHFFFAOYSA-N 1 0 393.409 4.213 20 0 GIADRO CCSCC[NH+]1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000163313424 823701023 /nfs/dbraw/zinc/70/10/23/823701023.db2.gz MMFCEESRZCBJTF-UHFFFAOYSA-N 1 0 384.589 4.163 20 0 GIADRO CCOC(=O)c1csc(C2CC[NH+](Cc3ccc(OC(F)F)cc3)CC2)n1 ZINC000191567932 823701366 /nfs/dbraw/zinc/70/13/66/823701366.db2.gz DWLLINFRMBHWPR-UHFFFAOYSA-N 1 0 396.459 4.301 20 0 GIADRO Cc1ccc([C@H](C)NC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)cc1F ZINC000163326965 823701715 /nfs/dbraw/zinc/70/17/15/823701715.db2.gz ZTBIMAUTHFMOTR-KRWDZBQOSA-N 1 0 384.499 4.148 20 0 GIADRO C[C@H](N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000574323500 823702857 /nfs/dbraw/zinc/70/28/57/823702857.db2.gz WRBKJLVFFCJNKW-GDIGMMSISA-N 1 0 382.895 4.486 20 0 GIADRO Cc1ccc([C@H]2CCC[N@@H+]2Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)cc1C ZINC000063858913 823703092 /nfs/dbraw/zinc/70/30/92/823703092.db2.gz UMJIMNNXZYBGAI-HXUWFJFHSA-N 1 0 377.448 4.265 20 0 GIADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCCO[C@@H](C)c1ccccc1 ZINC000163353130 823703279 /nfs/dbraw/zinc/70/32/79/823703279.db2.gz IJTVYLJGQXOWAO-CVEARBPZSA-N 1 0 375.900 4.210 20 0 GIADRO CSC1(C[NH2+][C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CCC1 ZINC000574329000 823703461 /nfs/dbraw/zinc/70/34/61/823703461.db2.gz WICJUUZDPQCPSE-GFCCVEGCSA-N 1 0 379.879 4.208 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@H](C)c2cc(F)ccc2OC)cc1 ZINC000163358075 823703852 /nfs/dbraw/zinc/70/38/52/823703852.db2.gz HNZBZXMPYJYVHH-UONOGXRCSA-N 1 0 380.485 4.008 20 0 GIADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCc1ccc(C2CC2)cc1 ZINC000191587853 823705036 /nfs/dbraw/zinc/70/50/36/823705036.db2.gz PCNPEPURGXWHOU-HSZRJFAPSA-N 1 0 392.547 4.155 20 0 GIADRO O=C(Nc1ncc(-c2cccnc2)s1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000574347321 823706151 /nfs/dbraw/zinc/70/61/51/823706151.db2.gz WLHDUFIJUYMPNI-QGZVFWFLSA-N 1 0 396.491 4.195 20 0 GIADRO C[C@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)c1ccc(Br)cc1F ZINC000125766718 823706306 /nfs/dbraw/zinc/70/63/06/823706306.db2.gz NMGYWBCXDMHLDR-LBPRGKRZSA-N 1 0 395.272 4.137 20 0 GIADRO CC[C@H](C[NH2+]C1CCN(CC(F)F)CC1)Oc1cccc(C(F)(F)F)c1 ZINC000163441972 823709752 /nfs/dbraw/zinc/70/97/52/823709752.db2.gz VSVSOPXATWDRMT-OAHLLOKOSA-N 1 0 380.401 4.182 20 0 GIADRO C[N@H+](Cc1ccc(Br)cc1)Cc1ccc(Br)cc1N ZINC000125790903 823711543 /nfs/dbraw/zinc/71/15/43/823711543.db2.gz PDFKKPIIIMMIRX-UHFFFAOYSA-N 1 0 384.115 4.426 20 0 GIADRO COCCN(C)c1ccc(C[NH2+]Cc2c(OC(C)C)ccc3ccccc32)cn1 ZINC000191610301 823711592 /nfs/dbraw/zinc/71/15/92/823711592.db2.gz JJGUAKKMMSZRFQ-UHFFFAOYSA-N 1 0 393.531 4.394 20 0 GIADRO Cc1nc(-c2cc([C@H](C)[NH2+][C@H]3CCO[C@H](c4nccn4C)C3)cs2)cs1 ZINC000574372623 823711885 /nfs/dbraw/zinc/71/18/85/823711885.db2.gz BDBVMHCPZMHXGE-NUTKFTJISA-N 1 0 388.562 4.484 20 0 GIADRO O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(NC(=O)[C@@H]2CCCC[NH2+]2)c1 ZINC000163476940 823713696 /nfs/dbraw/zinc/71/36/96/823713696.db2.gz URZPTXYRIDQWCW-KRWDZBQOSA-N 1 0 391.393 4.038 20 0 GIADRO Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+]CCCOC[C@H]1CCCO1 ZINC000163474654 823713771 /nfs/dbraw/zinc/71/37/71/823713771.db2.gz IOMPVKZZDXNLIS-GDBMZVCRSA-N 1 0 378.513 4.494 20 0 GIADRO C[C@H](C(=O)Nc1ccc(Cl)cc1NC(=O)c1ccco1)[NH+]1[C@H](C)CC[C@H]1C ZINC000413140341 823714030 /nfs/dbraw/zinc/71/40/30/823714030.db2.gz FYXOLKXAIQOOEU-MGPQQGTHSA-N 1 0 389.883 4.385 20 0 GIADRO CCc1c(NC(=O)NC2CC[NH+](C(C)C)CC2)cnn1-c1cccc(Cl)c1 ZINC000191617824 823714557 /nfs/dbraw/zinc/71/45/57/823714557.db2.gz ZQUDSWXKKRJPSN-UHFFFAOYSA-N 1 0 389.931 4.082 20 0 GIADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000163483049 823714490 /nfs/dbraw/zinc/71/44/90/823714490.db2.gz FMDOZLCNYQTJLI-MRXNPFEDSA-N 1 0 389.927 4.022 20 0 GIADRO COc1ccc(CC[NH2+]Cc2cnc(-c3ccco3)s2)c(Cl)c1OC ZINC000574382958 823715238 /nfs/dbraw/zinc/71/52/38/823715238.db2.gz RKFXAOVCEVXEJD-UHFFFAOYSA-N 1 0 378.881 4.406 20 0 GIADRO O[C@H](C[NH2+]Cc1ccc(C(F)(F)F)cc1)COc1cccc2ccccc21 ZINC000574386153 823715578 /nfs/dbraw/zinc/71/55/78/823715578.db2.gz JCZGHIPDDOBBRT-GOSISDBHSA-N 1 0 375.390 4.388 20 0 GIADRO Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)[C@H]([NH2+]C1CCOCC1)C(C)C ZINC000163498691 823716009 /nfs/dbraw/zinc/71/60/09/823716009.db2.gz BEQUKEOXPJHJKI-PGRDOPGGSA-N 1 0 387.568 4.106 20 0 GIADRO CC[C@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1ccc(OC(F)F)cc1 ZINC000125814789 823717675 /nfs/dbraw/zinc/71/76/75/823717675.db2.gz OVIMUZGQSRTAKL-SFHVURJKSA-N 1 0 383.460 4.074 20 0 GIADRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CCCOC[C@@H]3CCCO3)s2)cc1 ZINC000163518503 823717944 /nfs/dbraw/zinc/71/79/44/823717944.db2.gz CSQJDEKZLAGFKU-BEFAXECRSA-N 1 0 390.549 4.363 20 0 GIADRO CC[C@@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1cccc(Br)c1 ZINC000125816692 823718317 /nfs/dbraw/zinc/71/83/17/823718317.db2.gz RRLHOUYIDWJLMX-GOSISDBHSA-N 1 0 396.350 4.235 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCc3c2cccc3Cl)cc1 ZINC000163551813 823720588 /nfs/dbraw/zinc/72/05/88/823720588.db2.gz KUJYRRBLLCEDDM-ORAYPTAESA-N 1 0 378.925 4.440 20 0 GIADRO O=C(c1ccccc1Cl)N1CCC([NH2+][C@@H]2CCCc3c(O)cccc32)CC1 ZINC000191638385 823721573 /nfs/dbraw/zinc/72/15/73/823721573.db2.gz TYXNJVQHNGLXKI-HXUWFJFHSA-N 1 0 384.907 4.317 20 0 GIADRO C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1OC(F)F)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000413179453 823722321 /nfs/dbraw/zinc/72/23/21/823722321.db2.gz UUGMHBLWNIODCX-AXFHLTTASA-N 1 0 378.366 4.089 20 0 GIADRO CCCn1nc(C)c(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)c1C ZINC000163571149 823723164 /nfs/dbraw/zinc/72/31/64/823723164.db2.gz XSCPJNCRLOCYHX-QGZVFWFLSA-N 1 0 382.552 4.072 20 0 GIADRO c1ccc(CN2C[C@@H](c3ccccc3)[C@H]([NH2+]CCCO[C@@H]3CCCCO3)C2)cc1 ZINC000574416338 823723878 /nfs/dbraw/zinc/72/38/78/823723878.db2.gz QMOXPPOANYQQKD-ISJGIBHGSA-N 1 0 394.559 4.178 20 0 GIADRO Cc1nc(COc2ccc(C[N@@H+]3CC[C@H](C(F)(F)F)C(C)(C)C3)cc2)no1 ZINC000191663325 823726740 /nfs/dbraw/zinc/72/67/40/823726740.db2.gz QNIBANFIHLSLLJ-INIZCTEOSA-N 1 0 383.414 4.367 20 0 GIADRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)Nc1cccnc1C(F)(F)F)C1CC1 ZINC000574436918 823729271 /nfs/dbraw/zinc/72/92/71/823729271.db2.gz YRRLTIUVTOTCLT-QGZVFWFLSA-N 1 0 392.425 4.133 20 0 GIADRO CC[N@H+](C[C@H](O)Cn1c2ccccc2c2ccccc21)[C@H]1CCOC(C)(C)C1 ZINC000574441554 823730717 /nfs/dbraw/zinc/73/07/17/823730717.db2.gz VVAANZACLFCOLQ-OALUTQOASA-N 1 0 380.532 4.435 20 0 GIADRO CC(=O)Nc1ccc(CNc2cc(C)cc(N3CC[NH+](C(C)C)CC3)c2)cc1 ZINC000191679556 823731095 /nfs/dbraw/zinc/73/10/95/823731095.db2.gz GHIRYWSXQDLGQR-UHFFFAOYSA-N 1 0 380.536 4.096 20 0 GIADRO Cc1nn(-c2ccccc2Cl)c2sc(C(=O)NC(C)(C)CCC[NH3+])cc12 ZINC000574443510 823731646 /nfs/dbraw/zinc/73/16/46/823731646.db2.gz MCHTWXHKNSXNCW-UHFFFAOYSA-N 1 0 390.940 4.296 20 0 GIADRO COC1CCN(CC[NH2+][C@H]2CCCc3nc(-c4ccc(C)cc4)sc32)CC1 ZINC000163644763 823732056 /nfs/dbraw/zinc/73/20/56/823732056.db2.gz YAQNFOQNLMRHKF-IBGZPJMESA-N 1 0 385.577 4.196 20 0 GIADRO CC[C@@H](CNC(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1)CC(F)(F)F ZINC000413221349 823732082 /nfs/dbraw/zinc/73/20/82/823732082.db2.gz SZBQEGYPTZJLTG-HUUCEWRRSA-N 1 0 375.435 4.003 20 0 GIADRO COc1ccc(C(=O)Nc2ccc(-c3nc(C4([NH3+])CCCCC4)no3)s2)cc1 ZINC000574444456 823732601 /nfs/dbraw/zinc/73/26/01/823732601.db2.gz ZIMCLEOZNYTCFW-UHFFFAOYSA-N 1 0 398.488 4.177 20 0 GIADRO C[C@@H](SCC1CC[NH2+]CC1)c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3 ZINC000574450354 823733691 /nfs/dbraw/zinc/73/36/91/823733691.db2.gz NXAALIDNMRKEOM-VXGBXAGGSA-N 1 0 377.579 4.316 20 0 GIADRO C[C@H](CC(=O)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1)[C@@H]1CCC[NH2+]C1 ZINC000574450833 823733840 /nfs/dbraw/zinc/73/38/40/823733840.db2.gz UWVIMNDPYHMPHE-CLCXKQKWSA-N 1 0 386.433 4.128 20 0 GIADRO C[NH+](C)[C@H]1CCOc2c(NC(=O)c3csc(Cc4ccccc4)n3)cccc21 ZINC000574452633 823734495 /nfs/dbraw/zinc/73/44/95/823734495.db2.gz DHLKLCVBOPHCCJ-IBGZPJMESA-N 1 0 393.512 4.371 20 0 GIADRO CS[C@H]1CN(c2nc(C(F)F)nc3ccc(Cl)cc32)C[C@H]1[NH+]1CCCC1 ZINC000413234902 823734613 /nfs/dbraw/zinc/73/46/13/823734613.db2.gz QZTFIVZJVZTULC-CABCVRRESA-N 1 0 398.910 4.237 20 0 GIADRO CC1CC[NH+](CCCNC(=O)c2ccc(N3CCc4ccccc4C3)cc2)CC1 ZINC000064022955 823735037 /nfs/dbraw/zinc/73/50/37/823735037.db2.gz BOORRUXQYJKOAE-UHFFFAOYSA-N 1 0 391.559 4.101 20 0 GIADRO CC[C@@H](C(=O)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1)[NH+](C)C ZINC000413237488 823735439 /nfs/dbraw/zinc/73/54/39/823735439.db2.gz KZBFYKBNYGFHNF-SFHVURJKSA-N 1 0 380.319 4.257 20 0 GIADRO CCC(C)(C)NC(=O)c1ccc(NC(=O)c2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000064026788 823736093 /nfs/dbraw/zinc/73/60/93/823736093.db2.gz SCZHZUYIGHUPQW-UHFFFAOYSA-N 1 0 393.531 4.453 20 0 GIADRO CC(C)[N@@H+](Cc1ccc(NC(=O)N2CCC[C@@H](F)C2)cc1)C[C@@H]1CCCCO1 ZINC000574462209 823736868 /nfs/dbraw/zinc/73/68/68/823736868.db2.gz BAPDMZBDBWFHDS-CTNGQTDRSA-N 1 0 391.531 4.432 20 0 GIADRO C[C@H]([NH2+][C@H](CN1CCOCC1)c1ccccc1)c1ccc(Br)s1 ZINC000163688022 823737505 /nfs/dbraw/zinc/73/75/05/823737505.db2.gz OIUHFIOMFITTPY-GOEBONIOSA-N 1 0 395.366 4.235 20 0 GIADRO O=C(c1ccc(-n2ccnc2)cc1)N1CCC(Oc2ccccc2Cl)CC1 ZINC000125885888 823737667 /nfs/dbraw/zinc/73/76/67/823737667.db2.gz HZACHTZRUJYAES-UHFFFAOYSA-N 1 0 381.863 4.209 20 0 GIADRO CCCN(C)c1ccc(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000064035988 823738451 /nfs/dbraw/zinc/73/84/51/823738451.db2.gz RRRWRQUFVNAMIQ-UHFFFAOYSA-N 1 0 383.511 4.066 20 0 GIADRO CCCN(CC[NH+](CC)CC)C(=O)Nc1nc2c(cccc2COC)s1 ZINC000461886553 823738599 /nfs/dbraw/zinc/73/85/99/823738599.db2.gz VZLOOZRLGRGOHE-UHFFFAOYSA-N 1 0 378.542 4.028 20 0 GIADRO Brc1ccc(C[NH2+]CCOC2CCCC2)cc1Br ZINC000163697206 823738843 /nfs/dbraw/zinc/73/88/43/823738843.db2.gz MYSBKYFORUMVNY-UHFFFAOYSA-N 1 0 377.120 4.260 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)c1ccccc1Br ZINC000163700969 823739399 /nfs/dbraw/zinc/73/93/99/823739399.db2.gz LKFCFMSISQAMGR-INIZCTEOSA-N 1 0 389.337 4.132 20 0 GIADRO Cn1cc([C@@H](CO)[NH2+][C@@H](CCCc2ccccc2)Cc2ccc(Cl)cc2)cn1 ZINC000461888787 823739844 /nfs/dbraw/zinc/73/98/44/823739844.db2.gz IYQTYRDOMWCIKB-XZOQPEGZSA-N 1 0 397.950 4.331 20 0 GIADRO CC(C)c1c(NC(=O)N(C)CCC[NH+](C)C)cnn1-c1ccc(Cl)cc1 ZINC000191700909 823740438 /nfs/dbraw/zinc/74/04/38/823740438.db2.gz MUPVYZIWPOMWLA-UHFFFAOYSA-N 1 0 377.920 4.065 20 0 GIADRO O=C(Nc1ccc(-n2ccnc2)c(F)c1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000461894041 823741713 /nfs/dbraw/zinc/74/17/13/823741713.db2.gz KGBAOFGSNIDLGU-OAQYLSRUSA-N 1 0 378.451 4.005 20 0 GIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)Nc2cccnc2C(F)(F)F)C1 ZINC000574482901 823742682 /nfs/dbraw/zinc/74/26/82/823742682.db2.gz XLEQYNRLLPBKCG-DZGCQCFKSA-N 1 0 378.398 4.057 20 0 GIADRO O=C([C@@H]1C[C@@H]1c1cc(F)ccc1F)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000163731962 823742792 /nfs/dbraw/zinc/74/27/92/823742792.db2.gz SRPCXBKJFDBFTK-YVWKXTFCSA-N 1 0 376.491 4.183 20 0 GIADRO c1ccc2c(c1)OC1(CCC1)C[C@@H]2[NH2+]Cc1cccc(CN2CCOCC2)c1 ZINC000163730642 823742799 /nfs/dbraw/zinc/74/27/99/823742799.db2.gz BHGKNJCJMAMXAT-QFIPXVFZSA-N 1 0 378.516 4.055 20 0 GIADRO O=C(Nc1cccc(Cl)c1Br)N1CC[NH+](C2CCCC2)CC1 ZINC000191709882 823743114 /nfs/dbraw/zinc/74/31/14/823743114.db2.gz LJIFUADTXGPSKF-UHFFFAOYSA-N 1 0 386.721 4.195 20 0 GIADRO COc1cc(C[NH2+]C[C@](C)(Cc2ccccc2)[C@H](C)O)cc(Cl)c1OC ZINC000191709889 823743269 /nfs/dbraw/zinc/74/32/69/823743269.db2.gz UIHGVYBHSHIOGV-BTYIYWSLSA-N 1 0 377.912 4.077 20 0 GIADRO CO[C@@H](c1ccc(Br)cc1)[C@H](C)[NH2+]CCCc1cnccc1C ZINC000574485194 823743864 /nfs/dbraw/zinc/74/38/64/823743864.db2.gz HPGMYDOCZMUWKX-HNAYVOBHSA-N 1 0 377.326 4.451 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCSC3(CCC3)CC2)CC1 ZINC000413276483 823743884 /nfs/dbraw/zinc/74/38/84/823743884.db2.gz FKMLBGHNIVXWBP-GOSISDBHSA-N 1 0 387.593 4.283 20 0 GIADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)[NH2+]CCCc1cnccc1C ZINC000574485195 823744134 /nfs/dbraw/zinc/74/41/34/823744134.db2.gz HPGMYDOCZMUWKX-KXBFYZLASA-N 1 0 377.326 4.451 20 0 GIADRO Cc1ccncc1CCC[NH2+]C[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000574486328 823744930 /nfs/dbraw/zinc/74/49/30/823744930.db2.gz ZTENXAPBGVJGEM-NQIIRXRSSA-N 1 0 375.919 4.398 20 0 GIADRO C[C@@H](O)[C@](C)(C[NH2+]Cc1ccccc1OCc1ccccn1)Cc1ccccc1 ZINC000191719145 823746112 /nfs/dbraw/zinc/74/61/12/823746112.db2.gz GGOGQNDGCPKGMM-NLFFAJNJSA-N 1 0 390.527 4.380 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)NC[C@@H](Cc1ccccc1)C(F)(F)F)c1cccs1 ZINC000574492857 823747204 /nfs/dbraw/zinc/74/72/04/823747204.db2.gz IAGFXCSXPGIELN-CVEARBPZSA-N 1 0 399.482 4.071 20 0 GIADRO COc1ccc([C@@H]([NH2+][C@H]2CCN(CC(F)(F)F)C2)c2ccc(F)cc2)cc1 ZINC000163777106 823747495 /nfs/dbraw/zinc/74/74/95/823747495.db2.gz YPOVIKFGARHODI-HKUYNNGSSA-N 1 0 382.401 4.150 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)c2cnn(C(C)(C)C)c2)CC1 ZINC000574496143 823748270 /nfs/dbraw/zinc/74/82/70/823748270.db2.gz WKBQHDCTANXGQZ-UHFFFAOYSA-N 1 0 390.915 4.017 20 0 GIADRO [NH3+][C@@H]1CCc2ncc(NC(=O)N[C@H](Cc3ccccc3)c3ccccc3)cc2C1 ZINC000574503056 823750487 /nfs/dbraw/zinc/75/04/87/823750487.db2.gz UFTJEBRUYFQHGD-NFBKMPQASA-N 1 0 386.499 4.003 20 0 GIADRO C[C@H](C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)c1cccc(Br)c1 ZINC000461910399 823750560 /nfs/dbraw/zinc/75/05/60/823750560.db2.gz ZKGQFVDCXVAJRI-HOTGVXAUSA-N 1 0 381.358 4.181 20 0 GIADRO [NH3+][C@H]1CCc2ncc(NC(=O)N[C@@H](Cc3ccccc3)c3ccccc3)cc2C1 ZINC000574503059 823750679 /nfs/dbraw/zinc/75/06/79/823750679.db2.gz UFTJEBRUYFQHGD-REWPJTCUSA-N 1 0 386.499 4.003 20 0 GIADRO CC[C@H](NC(=O)CN1CC[NH+](CC2CCCCC2)CC1)c1ccc(Cl)cc1 ZINC000064129290 823752308 /nfs/dbraw/zinc/75/23/08/823752308.db2.gz RJJBLRUKZZLPGR-NRFANRHFSA-N 1 0 391.987 4.105 20 0 GIADRO C[C@@H](NC(=O)CN1CC[NH+](CC2CCCCC2)CC1)c1ccc2ccccc2c1 ZINC000064129778 823752360 /nfs/dbraw/zinc/75/23/60/823752360.db2.gz MCXRDFWDBGDWLF-HXUWFJFHSA-N 1 0 393.575 4.215 20 0 GIADRO CCC[C@H](NC(=O)[C@@H](C)N1CC[NH+](CC2CCCCC2)CC1)c1ccccc1 ZINC000064129760 823752447 /nfs/dbraw/zinc/75/24/47/823752447.db2.gz HLYMAEHCRFFMRF-OFNKIYASSA-N 1 0 385.596 4.230 20 0 GIADRO Cc1cc(CN2CCSC[C@H]2c2cnn(C)c2)ccc1Oc1cccnc1 ZINC000191739422 823752689 /nfs/dbraw/zinc/75/26/89/823752689.db2.gz WHUGTNBBJDIJFK-FQEVSTJZSA-N 1 0 380.517 4.206 20 0 GIADRO C[C@@H](C[NH2+]Cc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)S(C)(=O)=O ZINC000574512117 823752948 /nfs/dbraw/zinc/75/29/48/823752948.db2.gz JDTIBYHCKJUTBC-ZDUSSCGKSA-N 1 0 387.423 4.020 20 0 GIADRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1cc(Cl)ncc1Cl ZINC000125958866 823753455 /nfs/dbraw/zinc/75/34/55/823753455.db2.gz IHOLTFKXGYOZHE-PBHICJAKSA-N 1 0 376.287 4.145 20 0 GIADRO CCn1nc(C)c(C[NH2+]C2CC(c3ccc(Br)cc3F)C2)c1C ZINC000574517491 823754010 /nfs/dbraw/zinc/75/40/10/823754010.db2.gz DFOLFAHNGIRDNP-UHFFFAOYSA-N 1 0 380.305 4.457 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1cc(Cl)ccc1Cl ZINC000163850109 823754065 /nfs/dbraw/zinc/75/40/65/823754065.db2.gz RSHVEGPVLAXFED-CYBMUJFWSA-N 1 0 381.303 4.311 20 0 GIADRO C[C@@H](NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1cccc(F)c1F ZINC000125962756 823754340 /nfs/dbraw/zinc/75/43/40/823754340.db2.gz DPOLIDVPLLCGEQ-CQSZACIVSA-N 1 0 391.437 4.129 20 0 GIADRO CC(C)[C@H](C(=O)N(C)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)[C@H](C)[NH3+] ZINC000574521600 823754469 /nfs/dbraw/zinc/75/44/69/823754469.db2.gz FJXILVDNEXMIEI-UGSOOPFHSA-N 1 0 395.425 4.475 20 0 GIADRO CC[C@@H]([NH2+][C@@H]1CCN(C(=O)C2CCCC2)C1)c1ccc(Br)cc1 ZINC000125963529 823755042 /nfs/dbraw/zinc/75/50/42/823755042.db2.gz JFKMKSCIVNJRCF-QZTJIDSGSA-N 1 0 379.342 4.281 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)c1 ZINC000163878667 823756124 /nfs/dbraw/zinc/75/61/24/823756124.db2.gz BOWOTEDUORBXRG-GDIGMMSISA-N 1 0 375.513 4.132 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+][C@H](C)C(C)(C)c2ccccc2)c1 ZINC000163882281 823756779 /nfs/dbraw/zinc/75/67/79/823756779.db2.gz PEXKRWICRUKLKP-IAGOWNOFSA-N 1 0 384.520 4.377 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+]1CC(C)(C)[C@H]2CCC[C@H]21 ZINC000574536958 823758073 /nfs/dbraw/zinc/75/80/73/823758073.db2.gz XGCVMXPXQLWMQL-VQTJNVASSA-N 1 0 380.536 4.328 20 0 GIADRO CC(C)[N@@H+]1CCC[C@@H](CN[C@@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)C1 ZINC000125994839 823762537 /nfs/dbraw/zinc/76/25/37/823762537.db2.gz VUBPXHAJBRHZEU-OALUTQOASA-N 1 0 392.609 4.174 20 0 GIADRO C[C@H](CC(=O)N1CCc2ccccc2[C@@H]1Cc1ccccc1)C1CC[NH2+]CC1 ZINC000574569406 823769410 /nfs/dbraw/zinc/76/94/10/823769410.db2.gz QEMBXMVUHVAZCT-DVECYGJZSA-N 1 0 376.544 4.381 20 0 GIADRO C[C@@H](CC(=O)N1CCc2ccccc2[C@H]1Cc1ccccc1)C1CC[NH2+]CC1 ZINC000574569410 823769581 /nfs/dbraw/zinc/76/95/81/823769581.db2.gz QEMBXMVUHVAZCT-YADARESESA-N 1 0 376.544 4.381 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)N2c3ccccc3NC(=O)C2(C)C)cc1)C(C)C ZINC000574581309 823771284 /nfs/dbraw/zinc/77/12/84/823771284.db2.gz HMZFEPCAWTWXSF-UHFFFAOYSA-N 1 0 379.504 4.294 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(NC(=O)C2CCCC2)c1)c1ccc([S@](C)=O)cc1 ZINC000126046018 823774312 /nfs/dbraw/zinc/77/43/12/823774312.db2.gz JMHDQPGDYBCIMR-CHAGWJKLSA-N 1 0 384.545 4.404 20 0 GIADRO Cc1ccc(CN2CC[C@@H]([NH2+]Cc3cnc(-c4cccs4)s3)C2=O)cc1 ZINC000191804612 823774535 /nfs/dbraw/zinc/77/45/35/823774535.db2.gz HZUKUPVGDYHXMC-QGZVFWFLSA-N 1 0 383.542 4.071 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)N2CCC[C@@H]2c2cccc(OC)c2)c1 ZINC000064229676 823776029 /nfs/dbraw/zinc/77/60/29/823776029.db2.gz QPMKDMXFYRZAKE-JOCHJYFZSA-N 1 0 381.520 4.194 20 0 GIADRO Cc1cc([C@@](C)(O)C[NH2+]C2CCN(Cc3ccccc3Cl)CC2)c(C)o1 ZINC000164106045 823778275 /nfs/dbraw/zinc/77/82/75/823778275.db2.gz FGRYKSZGTRGLKK-NRFANRHFSA-N 1 0 376.928 4.012 20 0 GIADRO COc1cccc([C@@H](CNC(=O)N(Cc2ccccc2)CC2CCC2)[NH+](C)C)c1 ZINC000064240883 823778764 /nfs/dbraw/zinc/77/87/64/823778764.db2.gz SEUNOSADQWNKOL-HSZRJFAPSA-N 1 0 395.547 4.310 20 0 GIADRO OC[C@@H]1C[N@H+](Cc2ccccc2OCc2ccccc2)CC[C@H]1C(F)(F)F ZINC000574606154 823778847 /nfs/dbraw/zinc/77/88/47/823778847.db2.gz FWQLKJQSRYWKJK-RBUKOAKNSA-N 1 0 379.422 4.258 20 0 GIADRO COCCCCN(Cc1ccccc1)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000064241705 823779324 /nfs/dbraw/zinc/77/93/24/823779324.db2.gz QBZVAQYMUBYBOJ-UHFFFAOYSA-N 1 0 389.584 4.279 20 0 GIADRO Clc1ccccc1[C@H](C[NH2+]Cc1cccc2cccnc21)N1CCOCC1 ZINC000126069414 823779495 /nfs/dbraw/zinc/77/94/95/823779495.db2.gz ITBZIMGLOAAILA-NRFANRHFSA-N 1 0 381.907 4.051 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(NC(=O)C2CCCC2)c1)c1ccc(-n2cncn2)cc1 ZINC000126071791 823779849 /nfs/dbraw/zinc/77/98/49/823779849.db2.gz WSCNZJSOEVZWCS-QGZVFWFLSA-N 1 0 389.503 4.247 20 0 GIADRO C[C@H](c1ccccc1C(F)(F)F)[C@H](C)NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000164132295 823780069 /nfs/dbraw/zinc/78/00/69/823780069.db2.gz BTAZORQYAMKKPA-HRCADAONSA-N 1 0 385.474 4.181 20 0 GIADRO Cc1ccc(NC(=O)C2CC[NH+]([C@H](C)c3ccc(OC(F)F)cc3)CC2)nc1 ZINC000064248174 823780055 /nfs/dbraw/zinc/78/00/55/823780055.db2.gz BNMMNPZEBHPGTH-OAHLLOKOSA-N 1 0 389.446 4.403 20 0 GIADRO COc1ccc(C[NH2+][C@@H]2CCCc3nc(-c4ccccc4)sc32)c(OC)n1 ZINC000574611655 823781176 /nfs/dbraw/zinc/78/11/76/823781176.db2.gz LLNGZJKWWIEOIT-MRXNPFEDSA-N 1 0 381.501 4.390 20 0 GIADRO C[NH+](C)Cc1c2ccccc2oc1C(=O)NCCc1c[nH]c2cc(F)ccc12 ZINC000461983341 823782218 /nfs/dbraw/zinc/78/22/18/823782218.db2.gz AXKXXDVIJWHOAI-UHFFFAOYSA-N 1 0 379.435 4.087 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@H](C)c2cc(C)sc2C)c1 ZINC000126082079 823782429 /nfs/dbraw/zinc/78/24/29/823782429.db2.gz LSWAPQGUWUPOKR-GXTWGEPZSA-N 1 0 376.522 4.450 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@H](c1cccnc1)C(C)C ZINC000164177478 823783910 /nfs/dbraw/zinc/78/39/10/823783910.db2.gz DGDZXORFDBPXAC-YJBOKZPZSA-N 1 0 389.927 4.490 20 0 GIADRO COc1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)c2cccnc12 ZINC000461990970 823786075 /nfs/dbraw/zinc/78/60/75/823786075.db2.gz XJAMTHJCTNKIHP-FQEVSTJZSA-N 1 0 375.472 4.237 20 0 GIADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3csc(-c4ccc(Cl)c(Cl)c4)n3)C[C@@H]21 ZINC000574630687 823786252 /nfs/dbraw/zinc/78/62/52/823786252.db2.gz NEDJLNKKXJXQFO-SLEUVZQESA-N 1 0 396.343 4.316 20 0 GIADRO Cc1cccc(C(=O)Nc2ccccc2C(=O)NC[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000064301133 823787744 /nfs/dbraw/zinc/78/77/44/823787744.db2.gz VOLZFRLLRWNGCO-LJQANCHMSA-N 1 0 393.531 4.099 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(NS(C)(=O)=O)c2)cc1Cl ZINC000164239715 823788682 /nfs/dbraw/zinc/78/86/82/823788682.db2.gz UDPDIYHMCXYHEE-QWHCGFSZSA-N 1 0 382.913 4.132 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCC=C(F)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000462000599 823790295 /nfs/dbraw/zinc/79/02/95/823790295.db2.gz BARZQMKHRLNDGM-YJBOKZPZSA-N 1 0 399.432 4.357 20 0 GIADRO CC1(C)CCCC[C@@H]1[NH2+]Cc1cccnc1Oc1cccc(S(C)(=O)=O)c1 ZINC000164262925 823791067 /nfs/dbraw/zinc/79/10/67/823791067.db2.gz DPJCGAZHSADOAF-IBGZPJMESA-N 1 0 388.533 4.336 20 0 GIADRO CC[NH+](CC)CCSCC(=O)Nc1nc(-c2ccccc2Cl)cs1 ZINC000462004801 823791772 /nfs/dbraw/zinc/79/17/72/823791772.db2.gz FZPYTVGKJFFOQB-UHFFFAOYSA-N 1 0 383.970 4.477 20 0 GIADRO COc1ccc([C@H](C)[C@@H](C)[NH2+][C@@H](CCSC)c2nnc3ccccn32)cc1 ZINC000164277600 823792264 /nfs/dbraw/zinc/79/22/64/823792264.db2.gz BBAQKGWKSNMFCG-MDZRGWNJSA-N 1 0 384.549 4.314 20 0 GIADRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000462008368 823792836 /nfs/dbraw/zinc/79/28/36/823792836.db2.gz IREKSFZDEZGXNY-KBXCAEBGSA-N 1 0 377.579 4.195 20 0 GIADRO Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000191839344 823792736 /nfs/dbraw/zinc/79/27/36/823792736.db2.gz PSVOSGLUINXPOR-AWEZNQCLSA-N 1 0 395.425 4.083 20 0 GIADRO Cc1ccc(CN(Cc2ccco2)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)s1 ZINC000126122697 823793506 /nfs/dbraw/zinc/79/35/06/823793506.db2.gz QFXDHCUTOJSBEI-KRWDZBQOSA-N 1 0 387.549 4.378 20 0 GIADRO CCc1onc(-c2ccccc2)c1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000574666369 823795086 /nfs/dbraw/zinc/79/50/86/823795086.db2.gz DUVSXEURTSFYDD-XLIONFOSSA-N 1 0 389.499 4.297 20 0 GIADRO CC(C)(C)c1csc(CCNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)n1 ZINC000462015874 823795756 /nfs/dbraw/zinc/79/57/56/823795756.db2.gz LLHWEMRISHWSQH-GOSISDBHSA-N 1 0 385.577 4.154 20 0 GIADRO C[C@@H]1CCCN(c2cc(C(=O)N3CCC[C@@H](C[NH+]4CCCCCC4)C3)ccn2)C1 ZINC000462018409 823796144 /nfs/dbraw/zinc/79/61/44/823796144.db2.gz WOEDRXTVOICHEB-RTWAWAEBSA-N 1 0 398.595 4.046 20 0 GIADRO CCCn1nc(C)c(CNc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)c1C ZINC000126136334 823796703 /nfs/dbraw/zinc/79/67/03/823796703.db2.gz OJPACENTSITBHP-UHFFFAOYSA-N 1 0 397.567 4.337 20 0 GIADRO CC[NH+](CC)CCSCC(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000462020008 823797097 /nfs/dbraw/zinc/79/70/97/823797097.db2.gz HCWCRNLDEDFCMA-UHFFFAOYSA-N 1 0 382.533 4.243 20 0 GIADRO O=C(C[NH+]1CCCCCC1)Nc1cccc(NCc2cnc(C3CC3)s2)c1 ZINC000126136626 823797190 /nfs/dbraw/zinc/79/71/90/823797190.db2.gz BBEUEIVOLWIUEH-UHFFFAOYSA-N 1 0 384.549 4.447 20 0 GIADRO CCc1cccc(CC)c1NC(=O)[C@@H](C)N1CC[NH+](CCc2cccs2)CC1 ZINC000064351876 823799079 /nfs/dbraw/zinc/79/90/79/823799079.db2.gz SMYVLNKVSVOTES-GOSISDBHSA-N 1 0 399.604 4.060 20 0 GIADRO C[C@H](Oc1ccc(C(=O)N2CCC3(CC[NH2+]CC3)CC2)cc1)c1ccccc1 ZINC000574683952 823800377 /nfs/dbraw/zinc/80/03/77/823800377.db2.gz NMVUYWZRSBMJFF-IBGZPJMESA-N 1 0 378.516 4.432 20 0 GIADRO CCOCCC1(CNC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)CCC1 ZINC000126150509 823800269 /nfs/dbraw/zinc/80/02/69/823800269.db2.gz JHFKVXISZAIALP-IBGZPJMESA-N 1 0 387.568 4.108 20 0 GIADRO COCCC(C)(C)CNC(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000574689491 823801856 /nfs/dbraw/zinc/80/18/56/823801856.db2.gz JTFIXIQLDJPJMY-UHFFFAOYSA-N 1 0 393.597 4.449 20 0 GIADRO Cc1ncc([C@@H](C)[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)c(C)n1 ZINC000126158404 823802063 /nfs/dbraw/zinc/80/20/63/823802063.db2.gz CPIOCUNBZMRKFS-MRXNPFEDSA-N 1 0 384.487 4.192 20 0 GIADRO CCC(=O)Nc1ccccc1C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000462029389 823802313 /nfs/dbraw/zinc/80/23/13/823802313.db2.gz UJAHKTMMRPTHMS-UHFFFAOYSA-N 1 0 393.531 4.019 20 0 GIADRO COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)[NH2+][C@H]1CCC[C@@H]1CCC(C)C ZINC000191883200 823802863 /nfs/dbraw/zinc/80/28/63/823802863.db2.gz KLOGTUBFQGSXCW-WDYCEAGBSA-N 1 0 389.540 4.175 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)[C@H]3CCCc4c(O)cccc43)C2)s1 ZINC000574697451 823803090 /nfs/dbraw/zinc/80/30/90/823803090.db2.gz JNNDZXKLCAFURP-UWJYYQICSA-N 1 0 398.572 4.163 20 0 GIADRO CC[NH+]1CCN(c2cccc(N[C@@H](C)CC(=O)Nc3ccc(C)cc3C)c2)CC1 ZINC000191884481 823803570 /nfs/dbraw/zinc/80/35/70/823803570.db2.gz KNWJLQRUHSDYAI-FQEVSTJZSA-N 1 0 394.563 4.275 20 0 GIADRO CCc1ccccc1NC(=O)C[C@@H](C)Nc1cccc(N2CC[NH+](CC)CC2)c1 ZINC000191886177 823803973 /nfs/dbraw/zinc/80/39/73/823803973.db2.gz BNCMHZZPRSNXOT-LJQANCHMSA-N 1 0 394.563 4.220 20 0 GIADRO C[NH+](C)CCCN(CCC#N)C(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1 ZINC000064381102 823805595 /nfs/dbraw/zinc/80/55/95/823805595.db2.gz OKPKVQZLTYUUMF-ZRDIBKRKSA-N 1 0 385.508 4.261 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)CC1 ZINC000064384172 823806259 /nfs/dbraw/zinc/80/62/59/823806259.db2.gz LWOKSFBLCSOFQH-RTBURBONSA-N 1 0 383.923 4.224 20 0 GIADRO C[C@@H](c1ccc(Cl)cc1Cl)[N@H+](C)CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000164514167 823806444 /nfs/dbraw/zinc/80/64/44/823806444.db2.gz UTSQYDUFINCFJS-LBPRGKRZSA-N 1 0 394.302 4.114 20 0 GIADRO C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+][C@@H]1CCc2ccccc2C1 ZINC000462039351 823807073 /nfs/dbraw/zinc/80/70/73/823807073.db2.gz IMCIYUQQLQCBAH-PGRDOPGGSA-N 1 0 377.532 4.151 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000191919037 823811497 /nfs/dbraw/zinc/81/14/97/823811497.db2.gz NXHHQSCKUDAYCU-HNNXBMFYSA-N 1 0 386.458 4.053 20 0 GIADRO CC(C)[C@@H](CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)c1cccnc1 ZINC000164612865 823812297 /nfs/dbraw/zinc/81/22/97/823812297.db2.gz YPHDARWWJFJKQP-JOCHJYFZSA-N 1 0 379.548 4.240 20 0 GIADRO Cc1nc(-c2ccc([C@H](C)NC(=O)NC3CC[NH+](C4CCC4)CC3)cc2)cs1 ZINC000574729022 823812410 /nfs/dbraw/zinc/81/24/10/823812410.db2.gz NPWPRLRZKLTKCR-HNNXBMFYSA-N 1 0 398.576 4.496 20 0 GIADRO Cc1ccc([C@@H](C[NH2+][C@H](C)c2sc(C(C)C)nc2C)N2CCOCC2)o1 ZINC000164622253 823813287 /nfs/dbraw/zinc/81/32/87/823813287.db2.gz UQOCECXPOFQAPI-NVXWUHKLSA-N 1 0 377.554 4.200 20 0 GIADRO Cc1ccc([C@@H](C[NH2+][C@@H]2C[C@H](C)Sc3sccc32)N2CCOCC2)o1 ZINC000164636392 823813519 /nfs/dbraw/zinc/81/35/19/823813519.db2.gz JSSJYJWOSHCEAX-USXIJHARSA-N 1 0 378.563 4.238 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(F)cc1 ZINC000064412322 823813670 /nfs/dbraw/zinc/81/36/70/823813670.db2.gz FZQJJJDRHPDZCE-UHFFFAOYSA-N 1 0 383.389 4.440 20 0 GIADRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1cc(-c2ccccc2)ns1 ZINC000462053735 823814229 /nfs/dbraw/zinc/81/42/29/823814229.db2.gz UOHYZNSJPLEUNE-HXUWFJFHSA-N 1 0 377.513 4.377 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc(-c2ccccc2)ns1 ZINC000462063863 823817352 /nfs/dbraw/zinc/81/73/52/823817352.db2.gz ZJNYHERSPIUDLI-UHFFFAOYSA-N 1 0 377.513 4.205 20 0 GIADRO Cc1ccc(Br)c(C)c1C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000574746581 823817662 /nfs/dbraw/zinc/81/76/62/823817662.db2.gz STABFHZETWHZFN-CQSZACIVSA-N 1 0 381.358 4.308 20 0 GIADRO CO[C@H]1C[C@H]2C[C@@H]([NH2+]Cc3ccc(NC(=O)c4ccc(F)cc4)cc3)C[C@H]2C1 ZINC000574749386 823818209 /nfs/dbraw/zinc/81/82/09/823818209.db2.gz WZSRNSHCWYPRHE-VVIORFSUSA-N 1 0 382.479 4.371 20 0 GIADRO CC(C)Cn1ccnc1C[NH2+][C@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000164759847 823818634 /nfs/dbraw/zinc/81/86/34/823818634.db2.gz IWPQMAWVDZODHC-CQSZACIVSA-N 1 0 382.430 4.065 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]CC(C)(C)c2ccc(F)cc2)c1 ZINC000164767342 823819116 /nfs/dbraw/zinc/81/91/16/823819116.db2.gz BTWYMECHLXYJDE-HNNXBMFYSA-N 1 0 388.483 4.127 20 0 GIADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H](C)c2nc(C(C)(C)C)cs2)C1 ZINC000126243396 823819767 /nfs/dbraw/zinc/81/97/67/823819767.db2.gz BUQBDXQFSCUWCV-HOTGVXAUSA-N 1 0 380.602 4.169 20 0 GIADRO Cc1noc(C)c1C(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000064448244 823820506 /nfs/dbraw/zinc/82/05/06/823820506.db2.gz IYMHQWNGJDBEGC-UHFFFAOYSA-N 1 0 395.425 4.047 20 0 GIADRO C[C@@H]([NH2+]Cc1ccccc1OC1CCCC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000164808431 823820823 /nfs/dbraw/zinc/82/08/23/823820823.db2.gz KTEKWPMGVYBACZ-MRXNPFEDSA-N 1 0 388.533 4.230 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)NCc1cc(Cl)cc(Br)c1 ZINC000413701859 823821042 /nfs/dbraw/zinc/82/10/42/823821042.db2.gz MVPDKEXDGVRFNQ-UHFFFAOYSA-N 1 0 390.753 4.022 20 0 GIADRO COc1ccc2[nH]cc(C3=CCN(C(=O)CC4(C[NH3+])CCCCC4)CC3)c2c1 ZINC000574765156 823821369 /nfs/dbraw/zinc/82/13/69/823821369.db2.gz FTNJWBPVHUNXBE-UHFFFAOYSA-N 1 0 381.520 4.092 20 0 GIADRO CC(=O)c1cccc(CNC(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)c1 ZINC000574769027 823821871 /nfs/dbraw/zinc/82/18/71/823821871.db2.gz QXLINPDFKFXWRB-UHFFFAOYSA-N 1 0 393.531 4.485 20 0 GIADRO CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]CCC(=O)Nc2ccccc2)cc1 ZINC000164945422 823826321 /nfs/dbraw/zinc/82/63/21/823826321.db2.gz SGDUNLACFBRPFQ-KRWDZBQOSA-N 1 0 382.508 4.240 20 0 GIADRO Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@@H](C)c3cccc(C)c3C)CC2)cc1 ZINC000462102171 823828223 /nfs/dbraw/zinc/82/82/23/823828223.db2.gz BBYHZTJKBKZLLC-IBGZPJMESA-N 1 0 386.561 4.116 20 0 GIADRO CC[N@H+](CCC(=O)Nc1c(C)nn(-c2ccccc2)c1C)CCc1ccccc1 ZINC000164985326 823828524 /nfs/dbraw/zinc/82/85/24/823828524.db2.gz CXVTTWWKLYDAIY-UHFFFAOYSA-N 1 0 390.531 4.382 20 0 GIADRO Cc1cc(C)cc(OCC[N@@H+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)c1 ZINC000064482073 823828687 /nfs/dbraw/zinc/82/86/87/823828687.db2.gz VYVMPOQFSFQLMH-UHFFFAOYSA-N 1 0 386.923 4.184 20 0 GIADRO O=C(C[NH2+]C1CC(c2cc(F)cc(F)c2)C1)Nc1cccc(Br)c1 ZINC000574795792 823828848 /nfs/dbraw/zinc/82/88/48/823828848.db2.gz KXORHZDHOCVBPE-UHFFFAOYSA-N 1 0 395.247 4.202 20 0 GIADRO CC[NH+](CC)CCSc1nc(-c2cnccn2)nc2sc3c(c21)CCCC3 ZINC000462109154 823830187 /nfs/dbraw/zinc/83/01/87/823830187.db2.gz JHNHVDBKVGNRMW-UHFFFAOYSA-N 1 0 399.589 4.461 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)Nc1ccc2nc(C)oc2c1)[NH+]1CCCC1 ZINC000126290949 823831275 /nfs/dbraw/zinc/83/12/75/823831275.db2.gz RGKMQDZOIASYIT-IBGZPJMESA-N 1 0 394.475 4.103 20 0 GIADRO FC(F)(F)COCCC[NH+]1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000064518124 823833876 /nfs/dbraw/zinc/83/38/76/823833876.db2.gz DCJYWYAIYPTKHV-UHFFFAOYSA-N 1 0 385.257 4.080 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H](C)CC(F)(F)F ZINC000413753012 823834226 /nfs/dbraw/zinc/83/42/26/823834226.db2.gz XDXWQVKMHQWWRB-SJLPKXTDSA-N 1 0 385.474 4.129 20 0 GIADRO COCCN1CCC([NH2+][C@@H]2CCCC[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000462118211 823834380 /nfs/dbraw/zinc/83/43/80/823834380.db2.gz DUYRHDZHMFYCOO-VQTJNVASSA-N 1 0 384.486 4.432 20 0 GIADRO CC(C)Oc1cccc(CC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000064521161 823834639 /nfs/dbraw/zinc/83/46/39/823834639.db2.gz ZNSNIGZJDURHTA-IBGZPJMESA-N 1 0 386.561 4.106 20 0 GIADRO C[NH+](C)CC1CCN(c2ccccc2NC(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000413755723 823834996 /nfs/dbraw/zinc/83/49/96/823834996.db2.gz JITCBGNXDGHAHB-RTWAWAEBSA-N 1 0 377.532 4.207 20 0 GIADRO CC(C)c1cccc(OCC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000064521719 823835099 /nfs/dbraw/zinc/83/50/99/823835099.db2.gz OFUKTBHIXDXOJK-GOSISDBHSA-N 1 0 386.561 4.279 20 0 GIADRO Cc1cccc(OCCC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1C ZINC000064521668 823835141 /nfs/dbraw/zinc/83/51/41/823835141.db2.gz PRAIMTDOIUAHQO-IBGZPJMESA-N 1 0 386.561 4.162 20 0 GIADRO Cc1cc2ccccc2n1CC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000064521943 823835267 /nfs/dbraw/zinc/83/52/67/823835267.db2.gz LKEXSVHEIPDOIO-SFHVURJKSA-N 1 0 381.545 4.040 20 0 GIADRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(C(F)(F)F)cc1 ZINC000064521816 823835587 /nfs/dbraw/zinc/83/55/87/823835587.db2.gz YYULHVHUSGVKCZ-CQSZACIVSA-N 1 0 382.451 4.409 20 0 GIADRO O=C(/C=C/c1ccc2ccccc2n1)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000064522236 823835855 /nfs/dbraw/zinc/83/58/55/823835855.db2.gz WATGMLDRNOZGEY-IENJSVCTSA-N 1 0 391.540 4.338 20 0 GIADRO COc1ccc(C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)cc1OC1CCCC1 ZINC000165154630 823836654 /nfs/dbraw/zinc/83/66/54/823836654.db2.gz WTDTWUWUFIGDNR-QGZVFWFLSA-N 1 0 392.503 4.448 20 0 GIADRO C[C@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)c1nc(-c2ccccc2)cs1 ZINC000165173144 823837917 /nfs/dbraw/zinc/83/79/17/823837917.db2.gz CWXAADZQNUEBFU-INIZCTEOSA-N 1 0 379.529 4.405 20 0 GIADRO O=C(C[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1)Nc1cc(Cl)ccc1F ZINC000192032714 823838383 /nfs/dbraw/zinc/83/83/83/823838383.db2.gz CSRGMFDQJSYSET-QAPCUYQASA-N 1 0 383.250 4.191 20 0 GIADRO CCOC(=O)c1csc(C2CC[NH+](C[C@@H](C)c3ccc(OC)cc3)CC2)n1 ZINC000192036125 823839249 /nfs/dbraw/zinc/83/92/49/823839249.db2.gz GOZBZWHULBZOPK-OAHLLOKOSA-N 1 0 388.533 4.312 20 0 GIADRO COc1ccc(NC(=O)C[C@@H](C)[NH2+]CCc2c[nH]c3cccc(C)c23)c(OC)c1 ZINC000165222710 823840430 /nfs/dbraw/zinc/84/04/30/823840430.db2.gz QLHXIRUCIWUANL-MRXNPFEDSA-N 1 0 395.503 4.043 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1cccc(NC(C)=O)c1C)Cc1ccccc1 ZINC000126325716 823840460 /nfs/dbraw/zinc/84/04/60/823840460.db2.gz BXOZXQCMOYOPQC-HXUWFJFHSA-N 1 0 396.535 4.028 20 0 GIADRO CCc1ccc([C@@H](COC)[NH2+]C2CCN(C(=O)c3ccc(Cl)cc3)CC2)o1 ZINC000165291134 823841925 /nfs/dbraw/zinc/84/19/25/823841925.db2.gz ALGDCPAPGLJMLU-LJQANCHMSA-N 1 0 390.911 4.077 20 0 GIADRO COc1cc(Br)c(C[NH2+]CC(C)(C)c2ncccc2C)c(OC)c1 ZINC000574847825 823842172 /nfs/dbraw/zinc/84/21/72/823842172.db2.gz LEJHCDWMQZNGDD-UHFFFAOYSA-N 1 0 393.325 4.237 20 0 GIADRO CCCN(CC[NH+]1CCCCC1)C(=O)c1ccccc1NCc1cccnc1 ZINC000413800616 823843033 /nfs/dbraw/zinc/84/30/33/823843033.db2.gz BYIQWSQMBPALLZ-UHFFFAOYSA-N 1 0 380.536 4.032 20 0 GIADRO CCC[N@H+](C)[C@H](CNC(=O)c1cn(C)nc1C1CCC1)c1ccc(Cl)cc1 ZINC000413807948 823843439 /nfs/dbraw/zinc/84/34/39/823843439.db2.gz QORIZABEUQAHTJ-LJQANCHMSA-N 1 0 388.943 4.154 20 0 GIADRO C[C@H](NC(=O)c1cc(-c2ccccc2C(F)(F)F)on1)C(C)(C)C[NH+](C)C ZINC000462147461 823844629 /nfs/dbraw/zinc/84/46/29/823844629.db2.gz HHXVPOPGWJJJLA-LBPRGKRZSA-N 1 0 383.414 4.067 20 0 GIADRO CC(C)c1cc(C(=O)N(CCC[NH+]2CCCC2)c2ccc(Cl)cc2)nn1C ZINC000574856923 823844890 /nfs/dbraw/zinc/84/48/90/823844890.db2.gz GITPALNKRUNOKB-UHFFFAOYSA-N 1 0 388.943 4.330 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1ccc2c(c1)CCCN2C ZINC000064562144 823845434 /nfs/dbraw/zinc/84/54/34/823845434.db2.gz CWFULSNIHMVJLJ-UHFFFAOYSA-N 1 0 380.536 4.233 20 0 GIADRO Cc1cc(-n2ccnc2)ccc1C[N@@H+](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000192055736 823845544 /nfs/dbraw/zinc/84/55/44/823845544.db2.gz ASOIVRLIKYCAJI-UHFFFAOYSA-N 1 0 384.524 4.012 20 0 GIADRO Cc1nc(C(F)(F)F)sc1C(=O)N(CCCc1ccccc1)CC[NH+](C)C ZINC000462151461 823845833 /nfs/dbraw/zinc/84/58/33/823845833.db2.gz OHPBIOBMPUJVPQ-UHFFFAOYSA-N 1 0 399.482 4.107 20 0 GIADRO CCOc1ccc(NC(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)c(C(F)(F)F)c1 ZINC000064563625 823846893 /nfs/dbraw/zinc/84/68/93/823846893.db2.gz QKRDEPVDEHZJEM-ZIAGYGMSSA-N 1 0 387.446 4.346 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)CCCc1nc2ccccc2s1 ZINC000462156683 823847830 /nfs/dbraw/zinc/84/78/30/823847830.db2.gz DMUVOHYMZGGBTB-YLJYHZDGSA-N 1 0 393.556 4.256 20 0 GIADRO Cc1cccc2c(CCC(=O)N[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C)c[nH]c21 ZINC000462157015 823847966 /nfs/dbraw/zinc/84/79/66/823847966.db2.gz FVZSQNVLEOQWQQ-XMSQKQJNSA-N 1 0 375.516 4.046 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)CC1CCC(C(F)(F)F)CC1 ZINC000462157390 823848180 /nfs/dbraw/zinc/84/81/80/823848180.db2.gz GQSRSFSRILMORM-NHFHULPWSA-N 1 0 382.470 4.382 20 0 GIADRO Clc1ccc(OCc2nc(CN3CCC[N@@H+]4CCC[C@H]4C3)cs2)cc1 ZINC000064570941 823848143 /nfs/dbraw/zinc/84/81/43/823848143.db2.gz JXKLYKSHPVVPMN-KRWDZBQOSA-N 1 0 377.941 4.046 20 0 GIADRO C[C@H](N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)c1noc(Cc2ccccc2)n1 ZINC000165409397 823848385 /nfs/dbraw/zinc/84/83/85/823848385.db2.gz MRTAFKMXQQCUOB-WFXMLNOXSA-N 1 0 376.504 4.147 20 0 GIADRO COc1ccc(Cc2nc(C)c([C@@H](C)[NH2+]CC[C@H](O)C(C)C)s2)cc1OC ZINC000165458859 823849822 /nfs/dbraw/zinc/84/98/22/823849822.db2.gz AGMAIGABYKXKOQ-PBHICJAKSA-N 1 0 392.565 4.117 20 0 GIADRO COc1cc(OC)c([C@@H](C)[NH2+][C@@H](C)c2ccc(NC(N)=O)cc2)cc1Cl ZINC000165470077 823849956 /nfs/dbraw/zinc/84/99/56/823849956.db2.gz OHXLASITCFOGMR-NWDGAFQWSA-N 1 0 377.872 4.260 20 0 GIADRO C[C@H]([NH2+]C[C@@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1)c1cncs1 ZINC000165472816 823850289 /nfs/dbraw/zinc/85/02/89/823850289.db2.gz MDLZPEWKIOPDNA-YOEHRIQHSA-N 1 0 379.957 4.299 20 0 GIADRO COc1ccc2c(c1)C[N@@H+](C[C@@H]1CC3(CCC3)C(=O)O1)[C@H](c1ccccc1)C2 ZINC000192071206 823850638 /nfs/dbraw/zinc/85/06/38/823850638.db2.gz VIZOOQHKWYHODG-VXKWHMMOSA-N 1 0 377.484 4.280 20 0 GIADRO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]Cc1ccc(Cl)nc1 ZINC000165510125 823851503 /nfs/dbraw/zinc/85/15/03/823851503.db2.gz PLAJSEXMENFJDL-LLVKDONJSA-N 1 0 387.789 4.141 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(Cl)nc1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000165515630 823851762 /nfs/dbraw/zinc/85/17/62/823851762.db2.gz CQFSKICGPHGEBD-AWEZNQCLSA-N 1 0 378.925 4.302 20 0 GIADRO COc1cc([C@H](C)[NH2+]CCNC(=O)c2ccccc2Cl)ccc1SC ZINC000165519081 823851933 /nfs/dbraw/zinc/85/19/33/823851933.db2.gz MVVMAPXYFSVQQV-ZDUSSCGKSA-N 1 0 378.925 4.151 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC000462175367 823854689 /nfs/dbraw/zinc/85/46/89/823854689.db2.gz KVLVCMAAFXKBEL-VFNWGFHPSA-N 1 0 381.907 4.001 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC000462175369 823854828 /nfs/dbraw/zinc/85/48/28/823854828.db2.gz KVLVCMAAFXKBEL-YCRPNKLZSA-N 1 0 381.907 4.001 20 0 GIADRO Cc1ccc(C)c(OC2CC[NH+](CC(=O)N(Cc3ccccc3)C3CC3)CC2)c1 ZINC000064632263 823855045 /nfs/dbraw/zinc/85/50/45/823855045.db2.gz IHSBIFIZOQLCNO-UHFFFAOYSA-N 1 0 392.543 4.338 20 0 GIADRO Cc1ccc([C@H](C)NCc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)o1 ZINC000165599514 823855380 /nfs/dbraw/zinc/85/53/80/823855380.db2.gz YIGQVUKMZWCTGN-HNNXBMFYSA-N 1 0 381.442 4.209 20 0 GIADRO Cc1cc(C)c(C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)cc1Br ZINC000574897692 823855391 /nfs/dbraw/zinc/85/53/91/823855391.db2.gz NOCWBFFBLXLOEF-UHFFFAOYSA-N 1 0 381.358 4.258 20 0 GIADRO CC1CC[NH+](Cc2ccc(CNC(=O)NC[C@H]3CCOC4(CCC4)C3)cc2)CC1 ZINC000574899825 823856157 /nfs/dbraw/zinc/85/61/57/823856157.db2.gz UOLMHGRLDLUOKT-QFIPXVFZSA-N 1 0 399.579 4.067 20 0 GIADRO C[C@@H](CC(=O)Nc1cc(C[NH+](C)C)ccn1)c1ccc(F)c(Br)c1 ZINC000462178167 823856229 /nfs/dbraw/zinc/85/62/29/823856229.db2.gz UBSVACQUXHIZHB-LBPRGKRZSA-N 1 0 394.288 4.177 20 0 GIADRO CSc1nnc(CCC[NH2+][C@H]2CCCOc3ccc(F)cc32)n1CC(C)C ZINC000165641371 823856415 /nfs/dbraw/zinc/85/64/15/823856415.db2.gz IWFAIZZIDUXWPR-KRWDZBQOSA-N 1 0 392.544 4.231 20 0 GIADRO Cc1csc(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1Br ZINC000192090438 823856878 /nfs/dbraw/zinc/85/68/78/823856878.db2.gz MVHBGNCVKZILNE-OLZOCXBDSA-N 1 0 385.371 4.202 20 0 GIADRO CC[C@H]([NH2+][C@H]1CCc2ccccc21)c1ccccc1OCC(=O)N1CCCC1 ZINC000165647876 823856993 /nfs/dbraw/zinc/85/69/93/823856993.db2.gz YIZWVUWWSLSUBH-VXKWHMMOSA-N 1 0 378.516 4.416 20 0 GIADRO Cc1c(Cl)cccc1NC(=O)C[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000192092159 823857904 /nfs/dbraw/zinc/85/79/04/823857904.db2.gz NVSNACNDHRNZTQ-HKUYNNGSSA-N 1 0 397.277 4.499 20 0 GIADRO C[NH+](C)Cc1ccsc1C(=O)NCc1cccc(Br)c1Cl ZINC000413885247 823858580 /nfs/dbraw/zinc/85/85/80/823858580.db2.gz YNFVVQRMXVNFGS-UHFFFAOYSA-N 1 0 387.730 4.156 20 0 GIADRO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1cnn(-c2ccccc2Cl)c1 ZINC000064655978 823858800 /nfs/dbraw/zinc/85/88/00/823858800.db2.gz VAXXBHPNNQDXDT-UHFFFAOYSA-N 1 0 380.879 4.374 20 0 GIADRO CC[C@H]([NH2+][C@@H](CC)c1ccccc1OCC(=O)N(C)C)c1ccc2c(c1)CCO2 ZINC000165686399 823859117 /nfs/dbraw/zinc/85/91/17/823859117.db2.gz FMGIZTFWYJNNEN-SFTDATJTSA-N 1 0 396.531 4.281 20 0 GIADRO Cc1cc(C)c(NC(=O)C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c(C)c1 ZINC000192102248 823860699 /nfs/dbraw/zinc/86/06/99/823860699.db2.gz TWRSJQPDVIIWCQ-NQIIRXRSSA-N 1 0 390.886 4.463 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]Cc1ccc(-n2ccnc2C)nc1 ZINC000126414090 823861388 /nfs/dbraw/zinc/86/13/88/823861388.db2.gz JRZLZGGWHKVGFX-AWEZNQCLSA-N 1 0 390.516 4.253 20 0 GIADRO C[C@H](C(=O)Nc1ccc(OCC[NH+](C)C)cc1F)c1cn(C)c2ccccc12 ZINC000413895612 823861961 /nfs/dbraw/zinc/86/19/61/823861961.db2.gz ARDDZYLQCXOEBJ-HNNXBMFYSA-N 1 0 383.467 4.000 20 0 GIADRO C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2C(=O)Nc2ccc(OCC[NH+](C)C)cc2F)o1 ZINC000413900416 823862810 /nfs/dbraw/zinc/86/28/10/823862810.db2.gz KKWOVNPJDUZQCC-XLNGHYISSA-N 1 0 386.467 4.225 20 0 GIADRO CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2cnn(-c3ccc(Cl)cc3Cl)c2C)C1 ZINC000126422146 823862874 /nfs/dbraw/zinc/86/28/74/823862874.db2.gz ABUZRBHUGHRACX-DOMZBBRYSA-N 1 0 395.334 4.149 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)Cc2c[nH]c3ccc(Cl)cc23)c(F)c1 ZINC000413906802 823864165 /nfs/dbraw/zinc/86/41/65/823864165.db2.gz ZEIXEIDQOIFFHG-UHFFFAOYSA-N 1 0 389.858 4.082 20 0 GIADRO C[C@H](NC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1)c1cccc(F)c1F ZINC000165840188 823864309 /nfs/dbraw/zinc/86/43/09/823864309.db2.gz UGWHDLFMIBEQBS-ULQDDVLXSA-N 1 0 379.495 4.322 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)C1(C(F)F)CCCC1)c1cccc(C(F)(F)F)c1 ZINC000574941700 823865769 /nfs/dbraw/zinc/86/57/69/823865769.db2.gz KLFJHXHENCPRFN-CQSZACIVSA-N 1 0 378.385 4.250 20 0 GIADRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1 ZINC000165925736 823866424 /nfs/dbraw/zinc/86/64/24/823866424.db2.gz IXKJMGKMIIHXNG-QZTJIDSGSA-N 1 0 398.528 4.478 20 0 GIADRO CC[C@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)CC(F)(F)F ZINC000413921001 823866598 /nfs/dbraw/zinc/86/65/98/823866598.db2.gz USTQLMURKVGVLI-IRXDYDNUSA-N 1 0 377.495 4.263 20 0 GIADRO COc1cccc(C[NH2+][C@@H](C)c2ccc(I)cc2)c1OC ZINC000165973586 823867239 /nfs/dbraw/zinc/86/72/39/823867239.db2.gz BJDNXVLXGWHGJH-LBPRGKRZSA-N 1 0 397.256 4.159 20 0 GIADRO Cc1nc(C(F)(F)F)sc1C(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000462201886 823867679 /nfs/dbraw/zinc/86/76/79/823867679.db2.gz USVKDFVMXDWGPZ-HNNXBMFYSA-N 1 0 397.466 4.207 20 0 GIADRO CC(C)(C)N(Cc1ccccc1)C(=O)C[NH2+][C@@H](c1ccccc1)C(C)(C)CO ZINC000574945979 823868290 /nfs/dbraw/zinc/86/82/90/823868290.db2.gz KAXNOTDDUSNWAJ-QFIPXVFZSA-N 1 0 382.548 4.163 20 0 GIADRO CCC(CC)C(=O)N1CCC([NH2+][C@@H](C)c2ccc(OC(F)F)c(OC)c2)CC1 ZINC000166044189 823869123 /nfs/dbraw/zinc/86/91/23/823869123.db2.gz VEYWMXBURSQNQO-AWEZNQCLSA-N 1 0 398.494 4.374 20 0 GIADRO CC(=O)N(c1nc(CN2CC[C@@H](C[NH+]3CCCCC3)C2)cs1)c1ccccc1 ZINC000166100708 823869415 /nfs/dbraw/zinc/86/94/15/823869415.db2.gz HHQZVORPVAKUNU-IBGZPJMESA-N 1 0 398.576 4.136 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2ccccc2C(F)(F)F)on1 ZINC000462205781 823870381 /nfs/dbraw/zinc/87/03/81/823870381.db2.gz GJXXTTGAVBZUIY-KGLIPLIRSA-N 1 0 393.409 4.059 20 0 GIADRO C[NH+](C)CCc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)(F)F)cc1 ZINC000126450487 823870814 /nfs/dbraw/zinc/87/08/14/823870814.db2.gz CQYABUMREPBLSR-QZTJIDSGSA-N 1 0 392.421 4.432 20 0 GIADRO O=C(c1ccccc1F)N1CCC([NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000166155115 823871123 /nfs/dbraw/zinc/87/11/23/823871123.db2.gz VPMMMHFSFHEZMP-JPYJTQIMSA-N 1 0 396.506 4.188 20 0 GIADRO CSc1nc(C(C)C)nc(C)c1C(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000413937383 823871095 /nfs/dbraw/zinc/87/10/95/823871095.db2.gz IVRKULOTDWOXHP-UHFFFAOYSA-N 1 0 376.501 4.083 20 0 GIADRO FC(F)(F)COc1ccc(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)cn1 ZINC000166152090 823871323 /nfs/dbraw/zinc/87/13/23/823871323.db2.gz AMSHQTOOLWQYOU-YJBOKZPZSA-N 1 0 380.410 4.280 20 0 GIADRO Cc1nc2c(s1)[C@H]([NH2+]C1CCN(Cc3ccc(F)c(F)c3)CC1)CCC2 ZINC000166179157 823871551 /nfs/dbraw/zinc/87/15/51/823871551.db2.gz NCNAKJLKQBJGSR-LJQANCHMSA-N 1 0 377.504 4.361 20 0 GIADRO C[C@@H]([NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1)c1ccc(-n2ccnc2)cc1 ZINC000166177899 823871584 /nfs/dbraw/zinc/87/15/84/823871584.db2.gz GRSMMKZPZBAAIC-QGZVFWFLSA-N 1 0 396.485 4.466 20 0 GIADRO Cc1noc(C)c1CCC[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000166221817 823872650 /nfs/dbraw/zinc/87/26/50/823872650.db2.gz ABUQQORXMQDHDS-UHFFFAOYSA-N 1 0 379.907 4.271 20 0 GIADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2csc(-c3cccs3)n2)C1 ZINC000064726512 823873144 /nfs/dbraw/zinc/87/31/44/823873144.db2.gz KMJLGMXKSYVSSX-ZNMIVQPWSA-N 1 0 375.563 4.349 20 0 GIADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2c[nH]c(=S)n2-c2ccccc2)C1 ZINC000064726507 823873333 /nfs/dbraw/zinc/87/33/33/823873333.db2.gz ZNWSORJTXLOKIZ-JZXOWHBKSA-N 1 0 384.549 4.012 20 0 GIADRO COC(=O)c1ccc(Cl)c(C[NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)c1 ZINC000192135312 823873404 /nfs/dbraw/zinc/87/34/04/823873404.db2.gz ROENSRMLVDPTOA-MSOLQXFVSA-N 1 0 381.806 4.025 20 0 GIADRO CC(C)C(=O)N1CCC([NH2+][C@H](Cc2cccnc2)c2ccc(Cl)cc2)CC1 ZINC000574965406 823874811 /nfs/dbraw/zinc/87/48/11/823874811.db2.gz MUVHIJUMYCTCHY-OAQYLSRUSA-N 1 0 385.939 4.255 20 0 GIADRO Cc1cc(C)n(-c2ccc(CN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c(C(F)(F)F)c2)n1 ZINC000166313652 823875091 /nfs/dbraw/zinc/87/50/91/823875091.db2.gz RATHIKBATHHYGY-QZTJIDSGSA-N 1 0 392.469 4.224 20 0 GIADRO Cc1ccc(-c2nc(CC(=O)N3CCC(C[N@@H+](C)C(C)C)CC3)cs2)cc1 ZINC000064738574 823876912 /nfs/dbraw/zinc/87/69/12/823876912.db2.gz JIZJLWIYDQFFRB-UHFFFAOYSA-N 1 0 385.577 4.240 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)c2cc(-c3ccc(Cl)s3)on2)CC1 ZINC000064739025 823876951 /nfs/dbraw/zinc/87/69/51/823876951.db2.gz QCJUYZSZOVJWON-UHFFFAOYSA-N 1 0 381.929 4.249 20 0 GIADRO C[C@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000126472497 823877397 /nfs/dbraw/zinc/87/73/97/823877397.db2.gz VRBBTQAFLJRSJR-OCCSQVGLSA-N 1 0 381.307 4.275 20 0 GIADRO COc1cc(NC(=O)c2oc3ccccc3c2C[NH+](C)C)c(Cl)c(OC)c1 ZINC000413960936 823878245 /nfs/dbraw/zinc/87/82/45/823878245.db2.gz SMRKSVRBGXGLQX-UHFFFAOYSA-N 1 0 388.851 4.417 20 0 GIADRO CC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2cccc(N3CCCC3)c2)cc1 ZINC000126479422 823878805 /nfs/dbraw/zinc/87/88/05/823878805.db2.gz NCAVXHVWSZGOFG-SJORKVTESA-N 1 0 379.504 4.167 20 0 GIADRO COc1ccccc1-c1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3cnn(C)c3)C2)cc1 ZINC000166508073 823879084 /nfs/dbraw/zinc/87/90/84/823879084.db2.gz OOEJOIYYPABANH-GHTZIAJQSA-N 1 0 390.531 4.415 20 0 GIADRO Cc1cc(C(=O)Nc2cccc(C3CC[NH+](Cc4ccccc4)CC3)c2)n(C)n1 ZINC000574984055 823879700 /nfs/dbraw/zinc/87/97/00/823879700.db2.gz XAICRDKQKFULME-UHFFFAOYSA-N 1 0 388.515 4.360 20 0 GIADRO Cc1c(O)ccc2c(C[NH2+][C@@H](C)c3cccc(N4CCCC4)c3)cc(=O)oc12 ZINC000126482793 823880061 /nfs/dbraw/zinc/88/00/61/823880061.db2.gz IAELJDISECLGDR-INIZCTEOSA-N 1 0 378.472 4.258 20 0 GIADRO O=C(c1cc(C2CC2)nc2ccc(Cl)cc21)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000574987025 823880193 /nfs/dbraw/zinc/88/01/93/823880193.db2.gz ALHQBLSNUUNTLZ-HZPDHXFCSA-N 1 0 383.923 4.227 20 0 GIADRO Cc1c(O)ccc2c(C[NH2+][C@H](C)c3cccc(N4CCCC4)c3)cc(=O)oc12 ZINC000126483016 823880491 /nfs/dbraw/zinc/88/04/91/823880491.db2.gz IAELJDISECLGDR-MRXNPFEDSA-N 1 0 378.472 4.258 20 0 GIADRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)N1CCc2ccc(Cl)cc21 ZINC000064754461 823881126 /nfs/dbraw/zinc/88/11/26/823881126.db2.gz VRRCETIQTMJDOX-HNNXBMFYSA-N 1 0 389.952 4.386 20 0 GIADRO Cc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1Oc1ccncc1 ZINC000126488083 823881434 /nfs/dbraw/zinc/88/14/34/823881434.db2.gz CAEZEXCDTJPFDK-SIKLNZKXSA-N 1 0 391.515 4.271 20 0 GIADRO C[C@@H](CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000413978865 823882279 /nfs/dbraw/zinc/88/22/79/823882279.db2.gz IOQPYWLVQVHNQH-CZUORRHYSA-N 1 0 396.375 4.146 20 0 GIADRO C[C@H](CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000413978866 823882469 /nfs/dbraw/zinc/88/24/69/823882469.db2.gz IOQPYWLVQVHNQH-XJKSGUPXSA-N 1 0 396.375 4.146 20 0 GIADRO CC[C@H](CCO)C[NH2+][C@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000166823960 823882869 /nfs/dbraw/zinc/88/28/69/823882869.db2.gz XLNDOALOLRZAHN-VXGBXAGGSA-N 1 0 380.838 4.074 20 0 GIADRO C[NH+](C)C[C@H](NC(=O)c1ccc(N2CCCC2)c(F)c1)c1ccc(Cl)cc1 ZINC000574998241 823883430 /nfs/dbraw/zinc/88/34/30/823883430.db2.gz PBFKZKGKGNFLLC-IBGZPJMESA-N 1 0 389.902 4.112 20 0 GIADRO Cc1ccc(C[NH2+][C@H](C)CC(=O)Nc2cccnc2Cl)c(OCC2CC2)c1 ZINC000166906175 823883883 /nfs/dbraw/zinc/88/38/83/823883883.db2.gz JKORIHUWFBYUEU-OAHLLOKOSA-N 1 0 387.911 4.339 20 0 GIADRO O=C(NC[C@@H](Cc1ccccc1)C(F)(F)F)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000462231900 823885464 /nfs/dbraw/zinc/88/54/64/823885464.db2.gz YMDHSZKTVUPGTD-GOSISDBHSA-N 1 0 397.485 4.068 20 0 GIADRO COc1cc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)ccc1O ZINC000167040943 823885922 /nfs/dbraw/zinc/88/59/22/823885922.db2.gz RNAQKSFKJDDKTJ-UHFFFAOYSA-N 1 0 388.511 4.308 20 0 GIADRO CCOCCOc1cc(C)ccc1C[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000167149555 823887003 /nfs/dbraw/zinc/88/70/03/823887003.db2.gz PKCDQGKOMTYATO-LJQANCHMSA-N 1 0 396.531 4.388 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000126509173 823887044 /nfs/dbraw/zinc/88/70/44/823887044.db2.gz KAASFZQABUQSNF-UHFFFAOYSA-N 1 0 383.923 4.142 20 0 GIADRO CCOCCOc1cc(C)ccc1C[NH2+][C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000167141271 823887170 /nfs/dbraw/zinc/88/71/70/823887170.db2.gz HJMFEZABKNASII-QGZVFWFLSA-N 1 0 396.531 4.491 20 0 GIADRO Clc1ccc([C@@H](C[NH2+]CC2=CCCOC2)N2CCc3sccc3C2)cc1 ZINC000126512395 823887946 /nfs/dbraw/zinc/88/79/46/823887946.db2.gz AQTNQGLRJHYZEL-HXUWFJFHSA-N 1 0 388.964 4.437 20 0 GIADRO c1coc(-c2nnc(C[N@H+](Cc3ccc4c(c3)OCO4)C3CCCCC3)o2)c1 ZINC000064805711 823888521 /nfs/dbraw/zinc/88/85/21/823888521.db2.gz ZBBDYPCGITZNPM-UHFFFAOYSA-N 1 0 381.432 4.393 20 0 GIADRO Clc1cc(C[NH2+]Cc2ccc(Cn3cncn3)cc2)ccc1Br ZINC000192165578 823888416 /nfs/dbraw/zinc/88/84/16/823888416.db2.gz XLCGMXKRKQTVJD-UHFFFAOYSA-N 1 0 391.700 4.032 20 0 GIADRO Cc1ccc(C[NH2+][C@H](C)c2ccc(F)cc2N(C)C)c(OC[C@H]2CCOC2)c1 ZINC000167208043 823888819 /nfs/dbraw/zinc/88/88/19/823888819.db2.gz DACQQHNELLXYLY-MSOLQXFVSA-N 1 0 386.511 4.466 20 0 GIADRO O=C(C[N@H+](C1CC1)C1CCCC1)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000064808522 823889391 /nfs/dbraw/zinc/88/93/91/823889391.db2.gz KKULDEFLRMKZGN-GOSISDBHSA-N 1 0 383.517 4.426 20 0 GIADRO O=C(NCc1ccncc1)Nc1cccc(C[NH2+][C@H]2CCc3cc(F)ccc32)c1 ZINC000167299036 823890100 /nfs/dbraw/zinc/89/01/00/823890100.db2.gz ZXBOWAXGQQPKNO-QFIPXVFZSA-N 1 0 390.462 4.320 20 0 GIADRO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1 ZINC000167349993 823890462 /nfs/dbraw/zinc/89/04/62/823890462.db2.gz VEPDQMMNUJXGMA-UZUQRXQVSA-N 1 0 386.499 4.426 20 0 GIADRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)c(OCC(F)(F)F)c1 ZINC000167319282 823890555 /nfs/dbraw/zinc/89/05/55/823890555.db2.gz MKUVTMHTUHWKHD-HNNXBMFYSA-N 1 0 390.409 4.368 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]Cc2cccc(NC(=O)NCc3ccncc3)c2)cc1 ZINC000167419129 823891701 /nfs/dbraw/zinc/89/17/01/823891701.db2.gz ZUKZVZIZFXIGRA-QGZVFWFLSA-N 1 0 390.487 4.263 20 0 GIADRO CCCn1c2ccccc2nc1C[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000575027031 823892220 /nfs/dbraw/zinc/89/22/20/823892220.db2.gz MMUKLQODVQOJEO-KCZVDYSFSA-N 1 0 375.516 4.451 20 0 GIADRO C[NH+](C)CC1CCC(NC(=O)c2cc(-c3ccccc3C(F)(F)F)on2)CC1 ZINC000462245305 823894416 /nfs/dbraw/zinc/89/44/16/823894416.db2.gz JEKYPKOWHLQDRW-UHFFFAOYSA-N 1 0 395.425 4.211 20 0 GIADRO COc1c(C)cnc(CN2CCC([N@H+](C)Cc3ccc(C)c(F)c3)CC2)c1C ZINC000575034536 823895560 /nfs/dbraw/zinc/89/55/60/823895560.db2.gz PSQQGMTVRKCXOH-UHFFFAOYSA-N 1 0 385.527 4.251 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CCC(O)CC1)c1ccnc(Cl)c1 ZINC000167813083 823895768 /nfs/dbraw/zinc/89/57/68/823895768.db2.gz PZJAHMYXDOJSFN-KBPBESRZSA-N 1 0 377.891 4.247 20 0 GIADRO C[C@H](NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)c1cccc(N2CCOC2=O)c1 ZINC000167859952 823897073 /nfs/dbraw/zinc/89/70/73/823897073.db2.gz GXLIYRIVFVECCL-ROUUACIJSA-N 1 0 381.520 4.423 20 0 GIADRO Cc1ccn(-c2ccccc2C[NH2+]C[C@@H](O)CO[C@H](C)c2ccc(Cl)cc2)n1 ZINC000575040362 823897554 /nfs/dbraw/zinc/89/75/54/823897554.db2.gz VJBQCRAVCLAXIA-DYESRHJHSA-N 1 0 399.922 4.062 20 0 GIADRO CC[C@H]([NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1cnn(C)c1 ZINC000167899611 823897764 /nfs/dbraw/zinc/89/77/64/823897764.db2.gz YMTHGRYULGUBAP-IBGZPJMESA-N 1 0 381.351 4.432 20 0 GIADRO C[C@@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1ccc(Br)cc1F ZINC000126554503 823897876 /nfs/dbraw/zinc/89/78/76/823897876.db2.gz HWGWWIBEUSCUNF-SNVBAGLBSA-N 1 0 383.227 4.266 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1ccc(OC(F)F)c(F)c1 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379.863 4.083 20 0 GIADRO COc1cc(C[NH2+][C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)ccc1OCCO ZINC000414070352 823900737 /nfs/dbraw/zinc/90/07/37/823900737.db2.gz LCQPDAAFZFUBNK-IEBWSBKVSA-N 1 0 375.896 4.146 20 0 GIADRO COc1cc(C[NH2+][C@H]2CC[C@H](c3cccc(Cl)c3)C2)ccc1OCCO ZINC000414070348 823900872 /nfs/dbraw/zinc/90/08/72/823900872.db2.gz LCQPDAAFZFUBNK-HKUYNNGSSA-N 1 0 375.896 4.146 20 0 GIADRO COC(=O)c1cnc([C@@H](C)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)s1 ZINC000414071512 823901418 /nfs/dbraw/zinc/90/14/18/823901418.db2.gz LYBZBNFVNHWWLN-SJLPKXTDSA-N 1 0 387.549 4.054 20 0 GIADRO COC(=O)c1cnc([C@@H](C)NCc2ccc(C[NH+]3CCCCCC3)cc2)s1 ZINC000414071842 823901454 /nfs/dbraw/zinc/90/14/54/823901454.db2.gz KVHFJLXXFQPGTB-MRXNPFEDSA-N 1 0 387.549 4.157 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1csc(-c2ccsc2)n1 ZINC000126571289 823902047 /nfs/dbraw/zinc/90/20/47/823902047.db2.gz GSWQLYYDAABHEJ-UHFFFAOYSA-N 1 0 398.557 4.255 20 0 GIADRO CN(C)c1ccc(N2CCC([NH2+]Cc3ccc(OC(F)F)c(F)c3)CC2)cc1 ZINC000168405894 823902579 /nfs/dbraw/zinc/90/25/79/823902579.db2.gz JIHHWENEOPHTSF-UHFFFAOYSA-N 1 0 393.453 4.252 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(F)c1)c1cccc(N2CCCC2)c1 ZINC000168364001 823902658 /nfs/dbraw/zinc/90/26/58/823902658.db2.gz YTCLUNRPLSVTLP-HZPDHXFCSA-N 1 0 390.524 4.241 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CC2(c3ccc4c(c3)OCO4)CCOCC2)c(C)c1 ZINC000414076463 823903023 /nfs/dbraw/zinc/90/30/23/823903023.db2.gz QBYKPDZSMUQCDO-QGZVFWFLSA-N 1 0 383.488 4.131 20 0 GIADRO Cc1ccc([C@@H](C[NH2+][C@@H](C)c2csc(-c3ccccc3)n2)N2CCOCC2)o1 ZINC000414077830 823903262 /nfs/dbraw/zinc/90/32/62/823903262.db2.gz ZJYSIIGSGBXGBJ-FXAWDEMLSA-N 1 0 397.544 4.436 20 0 GIADRO COc1cc([C@@H](C)[NH2+]C2CCN(c3cccs3)CC2)cc(OC)c1OC ZINC000168426429 823903250 /nfs/dbraw/zinc/90/32/50/823903250.db2.gz QMLHDUKTQGRTSC-CQSZACIVSA-N 1 0 376.522 4.094 20 0 GIADRO COC(=O)c1cnc([C@@H](C)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)s1 ZINC000414078345 823903805 /nfs/dbraw/zinc/90/38/05/823903805.db2.gz RWKFXCRHGHOBTR-HZPDHXFCSA-N 1 0 387.549 4.012 20 0 GIADRO COC(=O)c1cnc([C@H](C)[NH2+][C@@H](C)CCc2ccc(OC(C)C)cc2)s1 ZINC000414079941 823903877 /nfs/dbraw/zinc/90/38/77/823903877.db2.gz UAOYOQSNHYSVCM-GJZGRUSLSA-N 1 0 376.522 4.389 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCCCC1)c1ccncc1C(F)(F)F ZINC000192214616 823905236 /nfs/dbraw/zinc/90/52/36/823905236.db2.gz FFXLZZYTUZAWSZ-UHFFFAOYSA-N 1 0 391.437 4.406 20 0 GIADRO CC(C)OCc1cccc(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000462264350 823905395 /nfs/dbraw/zinc/90/53/95/823905395.db2.gz XESVIVGIEOWIRE-AVRDEDQJSA-N 1 0 381.520 4.254 20 0 GIADRO COC(=O)c1cnc([C@H](C)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)s1 ZINC000414084564 823905628 /nfs/dbraw/zinc/90/56/28/823905628.db2.gz XWKHVHHODBEYCH-HOTGVXAUSA-N 1 0 387.549 4.155 20 0 GIADRO CC(C)(C)O[C@H]1C[C@@H]([NH2+]C2CCN(C(=O)CCc3ccccc3)CC2)C1(C)C ZINC000414086330 823906188 /nfs/dbraw/zinc/90/61/88/823906188.db2.gz ZHQYGFZKFPLMGO-RTWAWAEBSA-N 1 0 386.580 4.182 20 0 GIADRO 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ZINC000169111955 823908572 /nfs/dbraw/zinc/90/85/72/823908572.db2.gz KQOXRNDYNSJMDZ-XJKSGUPXSA-N 1 0 381.394 4.291 20 0 GIADRO c1ccc(-c2nnc3ccc(NC[C@@H](c4ccccc4)[NH+]4CCCC4)nn32)cc1 ZINC000064904826 823909122 /nfs/dbraw/zinc/90/91/22/823909122.db2.gz OMCXTEKHHIDDQD-FQEVSTJZSA-N 1 0 384.487 4.040 20 0 GIADRO C[C@H]([NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1)[C@H]1COc2ccccc21 ZINC000169179687 823909150 /nfs/dbraw/zinc/90/91/50/823909150.db2.gz WHHOLDLVCPYJLF-SUMWQHHRSA-N 1 0 380.469 4.193 20 0 GIADRO CCN1CC[C@H]([NH2+][C@@H](C)c2cc3n(n2)CCC3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000414100273 823909812 /nfs/dbraw/zinc/90/98/12/823909812.db2.gz KZNKKJQGCIFDOR-GMVOTWDCSA-N 1 0 376.907 4.108 20 0 GIADRO CCc1nn(C)c(CC)c1C[NH2+]Cc1cccc2c1N(C(=O)OC(C)(C)C)CC2 ZINC000169250745 823910290 /nfs/dbraw/zinc/91/02/90/823910290.db2.gz DNDBUASYYDRQMJ-UHFFFAOYSA-N 1 0 398.551 4.132 20 0 GIADRO CCC(=O)N1CC[C@@H]([NH2+][C@H](c2ccccc2)c2cccc(Br)c2)C1 ZINC000414103337 823910241 /nfs/dbraw/zinc/91/02/41/823910241.db2.gz 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CC(C)(C)[C@@H]([NH2+]CC(=O)N1CCc2[nH]c3ccccc3c2C1)c1ccccc1 ZINC000064933047 823913957 /nfs/dbraw/zinc/91/39/57/823913957.db2.gz MYEIWUUOQHGEFO-QHCPKHFHSA-N 1 0 375.516 4.430 20 0 GIADRO CS(=O)(=O)Cc1ccccc1C[NH2+][C@@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000414119501 823914087 /nfs/dbraw/zinc/91/40/87/823914087.db2.gz WMZAZGZGUOIUDG-OXJNMPFZSA-N 1 0 377.937 4.311 20 0 GIADRO CCSCc1ccc(C(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000126624922 823914259 /nfs/dbraw/zinc/91/42/59/823914259.db2.gz GBJFHGFLRQEERT-UHFFFAOYSA-N 1 0 383.561 4.323 20 0 GIADRO Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)CCCO2 ZINC000126628967 823915080 /nfs/dbraw/zinc/91/50/80/823915080.db2.gz CQUGJAGRXIGQIV-IBGZPJMESA-N 1 0 393.936 4.197 20 0 GIADRO Cc1cc(Cl)c2c(c1)[C@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)CCCO2 ZINC000126629197 823915237 /nfs/dbraw/zinc/91/52/37/823915237.db2.gz CQUGJAGRXIGQIV-LJQANCHMSA-N 1 0 393.936 4.197 20 0 GIADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H](C)c1cccc(O)c1 ZINC000126631712 823915464 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381.944 4.168 20 0 GIADRO Cc1cc(C[NH2+][C@H](C)c2ccc(C(=O)N(C)C)cc2)ccc1Br ZINC000414147733 823918906 /nfs/dbraw/zinc/91/89/06/823918906.db2.gz QVMYPZDZUYOOLP-CQSZACIVSA-N 1 0 375.310 4.310 20 0 GIADRO Cc1ccc(C(C)(C)CC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000126650223 823919555 /nfs/dbraw/zinc/91/95/55/823919555.db2.gz OISJOEMYNQAPLV-UHFFFAOYSA-N 1 0 379.548 4.433 20 0 GIADRO COCc1ccc([C@H]2CCC[N@@H+]2CCCC(=O)Nc2ccccc2C(C)=O)o1 ZINC000575134146 823920143 /nfs/dbraw/zinc/92/01/43/823920143.db2.gz KMOGGUXWCWAQRP-HXUWFJFHSA-N 1 0 384.476 4.184 20 0 GIADRO C[C@@H](NCc1ccncc1OCCC[NH+](C)C)c1csc(-c2ccccc2)n1 ZINC000414165568 823921571 /nfs/dbraw/zinc/92/15/71/823921571.db2.gz PUXLNWLLCSMYNH-QGZVFWFLSA-N 1 0 396.560 4.386 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(Cl)c3cccnc23)CC1)c1ccsc1 ZINC000064992260 823921945 /nfs/dbraw/zinc/92/19/45/823921945.db2.gz XFFLOTOPRJYHIV-UHFFFAOYSA-N 1 0 385.920 4.344 20 0 GIADRO CC(C)[N@H+](CCC(=O)N1CCOCC1)Cc1ccc(-c2ccccc2F)s1 ZINC000064988418 823922017 /nfs/dbraw/zinc/92/20/17/823922017.db2.gz DNRCDCYHZSDRNG-UHFFFAOYSA-N 1 0 390.524 4.014 20 0 GIADRO COc1ccc([C@@H](CO)C[NH2+][C@@H](C)c2cnn(-c3cccc(Cl)c3)c2C)cc1 ZINC000414171237 823922088 /nfs/dbraw/zinc/92/20/88/823922088.db2.gz CWCIMHSDCHDZKR-MAUKXSAKSA-N 1 0 399.922 4.269 20 0 GIADRO C[N@@H+]1CC[C@@]2(C[C@H]1c1ccccc1)Nc1ccccc1C(=O)N2Cc1cccnc1 ZINC000414173453 823922514 /nfs/dbraw/zinc/92/25/14/823922514.db2.gz GGXNCHNPSAEBBZ-UKILVPOCSA-N 1 0 398.510 4.313 20 0 GIADRO C[N@@H+]1CC[C@@]2(C[C@@H]1c1ccccc1)Nc1ccccc1C(=O)N2Cc1cccnc1 ZINC000414173443 823922551 /nfs/dbraw/zinc/92/25/51/823922551.db2.gz GGXNCHNPSAEBBZ-ILBGXUMGSA-N 1 0 398.510 4.313 20 0 GIADRO COc1ccc([C@H](CO)C[NH2+][C@H](Cc2cccnc2)c2cccc(Cl)c2)cc1 ZINC000414184647 823924464 /nfs/dbraw/zinc/92/44/64/823924464.db2.gz ODYRRULWEMVDAE-NZQKXSOJSA-N 1 0 396.918 4.393 20 0 GIADRO FC(F)(F)c1ccn(-c2ccc(C[NH2+]Cc3ccc(-n4ccnc4)cc3)cc2)n1 ZINC000065014612 823924882 /nfs/dbraw/zinc/92/48/82/823924882.db2.gz GLLVIKVWZHKIQV-UHFFFAOYSA-N 1 0 397.404 4.367 20 0 GIADRO C[C@H]([NH2+][C@H]1c2sccc2OC(C)(C)[C@@H]1O)c1cc(Br)cs1 ZINC000414194748 823926010 /nfs/dbraw/zinc/92/60/10/823926010.db2.gz WUTOLYOKCZZMOK-ORUWWINDSA-N 1 0 388.352 4.496 20 0 GIADRO CC(C)(C)OC(=O)NC[C@@H]1CCN(Cc2csc(-c3cccs3)n2)C1 ZINC000170648136 823926237 /nfs/dbraw/zinc/92/62/37/823926237.db2.gz UGTSFHVJUHTAHH-ZDUSSCGKSA-N 1 0 379.551 4.218 20 0 GIADRO CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC000170647790 823926655 /nfs/dbraw/zinc/92/66/55/823926655.db2.gz ULFCDPGZETYTLF-QGZVFWFLSA-N 1 0 397.519 4.015 20 0 GIADRO COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000575158716 823926669 /nfs/dbraw/zinc/92/66/69/823926669.db2.gz LYSWQBILOIDYLL-BBTUJRGHSA-N 1 0 395.547 4.453 20 0 GIADRO COCC[C@H](C)C[NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C ZINC000414201888 823927583 /nfs/dbraw/zinc/92/75/83/823927583.db2.gz MOSHWWZQNGKSJQ-HTAPYJJXSA-N 1 0 389.561 4.059 20 0 GIADRO COCC[C@H](C)C[NH2+][C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C ZINC000414201896 823927632 /nfs/dbraw/zinc/92/76/32/823927632.db2.gz MOSHWWZQNGKSJQ-JTSKRJEESA-N 1 0 389.561 4.059 20 0 GIADRO CC[C@H](C)n1ncc(C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1C1CC1 ZINC000126690371 823928398 /nfs/dbraw/zinc/92/83/98/823928398.db2.gz ZHRRGGQQTGOSEM-ICSRJNTNSA-N 1 0 394.563 4.326 20 0 GIADRO CN(C(=O)CSc1ccc2ccccc2c1)C1CC[NH+](C2CCOCC2)CC1 ZINC000065038886 823928494 /nfs/dbraw/zinc/92/84/94/823928494.db2.gz YQDYAFJRWRQQTK-UHFFFAOYSA-N 1 0 398.572 4.034 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H]2CCCOc3ccccc32)c1 ZINC000414206002 823928697 /nfs/dbraw/zinc/92/86/97/823928697.db2.gz DPZDBGRDOXXPBS-SFHVURJKSA-N 1 0 379.909 4.137 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H]2CCCc3ccc(OC)cc32)c1 ZINC000414208823 823929068 /nfs/dbraw/zinc/92/90/68/823929068.db2.gz JWYDRDQNPRAVLQ-FQEVSTJZSA-N 1 0 393.936 4.309 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1nc2ccccc2cc1Cl ZINC000575169980 823930370 /nfs/dbraw/zinc/93/03/70/823930370.db2.gz UVZYUDXMKTUGAU-UHFFFAOYSA-N 1 0 385.870 4.231 20 0 GIADRO CCN(CCC[NH+]1CCCC1)C(=O)c1cc(-c2ccccc2C(F)(F)F)on1 ZINC000462339735 823930609 /nfs/dbraw/zinc/93/06/09/823930609.db2.gz JZDMSLMXHARFTR-UHFFFAOYSA-N 1 0 395.425 4.308 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)CCc2ccc(OC)cc2)c1 ZINC000414214186 823931203 /nfs/dbraw/zinc/93/12/03/823931203.db2.gz VCKIRVMXBOPCOI-HNNXBMFYSA-N 1 0 395.952 4.253 20 0 GIADRO CC(C)(C)[NH+]1CCC(NC(=O)C(C)(C)c2cccc(Br)c2)CC1 ZINC000170668753 823931239 /nfs/dbraw/zinc/93/12/39/823931239.db2.gz NBGRFVDJUUUFKR-UHFFFAOYSA-N 1 0 381.358 4.106 20 0 GIADRO C[NH+]1CCN(Cc2ccc(C(=O)N3CCC[C@@H]3c3ccc(Cl)cc3)cc2)CC1 ZINC000065054440 823931628 /nfs/dbraw/zinc/93/16/28/823931628.db2.gz DFQACBFFZQDFMJ-JOCHJYFZSA-N 1 0 397.950 4.065 20 0 GIADRO COc1cc(N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c(Cl)c(OC)c1 ZINC000414223146 823932477 /nfs/dbraw/zinc/93/24/77/823932477.db2.gz PIZKYFUJAUWLQD-WMLDXEAASA-N 1 0 375.900 4.075 20 0 GIADRO CS(=O)(=O)c1ccccc1C[NH2+][C@@H]1CCC[C@H]1Cc1ccc(Cl)cc1 ZINC000414231465 823934459 /nfs/dbraw/zinc/93/44/59/823934459.db2.gz CDYKYQIGHIHEIY-QFBILLFUSA-N 1 0 377.937 4.245 20 0 GIADRO COc1ccc([C@@H](C)Nc2cccc3c2CN(C)C3=O)cc1C[NH+]1CCCCC1 ZINC000414233335 823934887 /nfs/dbraw/zinc/93/48/87/823934887.db2.gz XUVOIXMRLIQZFT-QGZVFWFLSA-N 1 0 393.531 4.440 20 0 GIADRO CC(=O)c1cc(NC(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1C ZINC000575193219 823934959 /nfs/dbraw/zinc/93/49/59/823934959.db2.gz AXTIJGYGWGYLMU-XLIONFOSSA-N 1 0 379.504 4.230 20 0 GIADRO CCOc1ccc([C@@H](CC)[NH2+]CCc2nnc3n2CCCCC3)cc1OCC ZINC000126719699 823935189 /nfs/dbraw/zinc/93/51/89/823935189.db2.gz JCFAVSVSQLQJJF-GOSISDBHSA-N 1 0 386.540 4.085 20 0 GIADRO COc1ccccc1CC(=O)N1CCC([NH2+][C@@H](C)c2cccc(C3CC3)c2)CC1 ZINC000575190301 823935211 /nfs/dbraw/zinc/93/52/11/823935211.db2.gz OGYHIMFCUSVYIO-SFHVURJKSA-N 1 0 392.543 4.457 20 0 GIADRO Cc1csc(N2CCC([NH2+]CC3(c4c(F)cccc4F)CCC3)CC2)n1 ZINC000414236101 823936116 /nfs/dbraw/zinc/93/61/16/823936116.db2.gz KKKQFALGJGKWHW-UHFFFAOYSA-N 1 0 377.504 4.410 20 0 GIADRO C[C@@H](NC(=O)NCC1CC[NH+](Cc2cccs2)CC1)c1cccc(F)c1F ZINC000126723573 823936157 /nfs/dbraw/zinc/93/61/57/823936157.db2.gz MKWPWNGXUPSXBB-CQSZACIVSA-N 1 0 393.503 4.299 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@@H](C)c2ccc(Br)c(F)c2)cn1 ZINC000414242337 823937899 /nfs/dbraw/zinc/93/78/99/823937899.db2.gz HPLDTIVBEGWLLH-XAYKYTGQSA-N 1 0 396.304 4.233 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@H](C)c2ccc3cc(OC)ccc3c2)cn1 ZINC000414242343 823937949 /nfs/dbraw/zinc/93/79/49/823937949.db2.gz HPWHYYFOZXASCK-NIJIEXERSA-N 1 0 379.504 4.493 20 0 GIADRO Cc1ncsc1C[NH2+][C@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1 ZINC000462356040 823938432 /nfs/dbraw/zinc/93/84/32/823938432.db2.gz CXTODRPOHLLUPB-INIZCTEOSA-N 1 0 379.485 4.139 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@@H](C)[C@H](C)c2nc3ccccc3s2)cn1 ZINC000414244223 823938797 /nfs/dbraw/zinc/93/87/97/823938797.db2.gz KVNKGNJRGMOAQN-ZKNHNOBHSA-N 1 0 384.549 4.372 20 0 GIADRO Clc1cc(Br)cc(C[NH2+]C2CCN(Cc3ccccn3)CC2)c1 ZINC000414245261 823939167 /nfs/dbraw/zinc/93/91/67/823939167.db2.gz RGUCDUYPOLCAAD-UHFFFAOYSA-N 1 0 394.744 4.252 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@H](c2cccnc2)c2ccc(F)c(C)c2)cn1 ZINC000414246398 823939775 /nfs/dbraw/zinc/93/97/75/823939775.db2.gz NEMDTUQNKDOULV-AJSBUHFISA-N 1 0 394.494 4.202 20 0 GIADRO CC[C@H](C[NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1)CC(F)(F)F ZINC000414246259 823939797 /nfs/dbraw/zinc/93/97/97/823939797.db2.gz CISYTWSGCORQBC-NFOMZHRRSA-N 1 0 382.426 4.162 20 0 GIADRO CC(C)c1cccc(S(=O)(=O)N(c2cccc(F)c2)C2CC[NH+](C)CC2)c1 ZINC000462359794 823940264 /nfs/dbraw/zinc/94/02/64/823940264.db2.gz JUCPZIGBJFIMCG-UHFFFAOYSA-N 1 0 390.524 4.239 20 0 GIADRO C[C@H]([NH2+]CC1(c2c(F)cccc2F)CCC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000414249166 823940906 /nfs/dbraw/zinc/94/09/06/823940906.db2.gz WVUXASNPRSDXOI-ZDUSSCGKSA-N 1 0 397.462 4.280 20 0 GIADRO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]C[C@@H]1C[C@H](C)O[C@@H]1C ZINC000414253947 823942527 /nfs/dbraw/zinc/94/25/27/823942527.db2.gz IOPXPURSEDLGGA-XQHKEYJVSA-N 1 0 392.849 4.479 20 0 GIADRO CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000575218606 823942549 /nfs/dbraw/zinc/94/25/49/823942549.db2.gz HDZWKERKRRKTNV-OAQYLSRUSA-N 1 0 384.495 4.285 20 0 GIADRO CC[C@@H]([NH2+]CCc1nnc2n1CCCCC2)c1ccccc1Br ZINC000126757987 823943281 /nfs/dbraw/zinc/94/32/81/823943281.db2.gz SZBQWANHVKMZSS-MRXNPFEDSA-N 1 0 377.330 4.050 20 0 GIADRO CC[C@@H]([NH2+]C[C@@H]1CCO[C@H]1c1cnn(CC)c1)c1ccc(Br)cc1 ZINC000414257061 823943380 /nfs/dbraw/zinc/94/33/80/823943380.db2.gz WVFWWJVGYDKUMT-KFKAGJAMSA-N 1 0 392.341 4.484 20 0 GIADRO C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]Cc1ccccc1S(C)(=O)=O ZINC000414256696 823943391 /nfs/dbraw/zinc/94/33/91/823943391.db2.gz OBCKBGPCBMGCLK-AWEZNQCLSA-N 1 0 385.451 4.220 20 0 GIADRO C[C@@H](C[NH2+][C@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1)CC(F)(F)F ZINC000414257055 823943478 /nfs/dbraw/zinc/94/34/78/823943478.db2.gz DEFCAXVESRKXSD-HUUCEWRRSA-N 1 0 392.487 4.100 20 0 GIADRO COc1ccc(Br)c(C[NH2+][C@@H](c2cccs2)C(C)(C)CO)c1 ZINC000575220538 823943770 /nfs/dbraw/zinc/94/37/70/823943770.db2.gz KGIGMDURGRDCDJ-INIZCTEOSA-N 1 0 384.339 4.369 20 0 GIADRO CCc1ccc([C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)C(C)C)cc1 ZINC000414263037 823945218 /nfs/dbraw/zinc/94/52/18/823945218.db2.gz PEFSTHRCEMAXAH-IBGZPJMESA-N 1 0 380.941 4.037 20 0 GIADRO O=C(c1ccc2[nH]c3c(c2c1)CCCC3)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000126766137 823945672 /nfs/dbraw/zinc/94/56/72/823945672.db2.gz HGZCIXWJGSTWCP-SBUREZEXSA-N 1 0 377.532 4.136 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)c2cnc(-c3ccccc3Cl)s2)CC1 ZINC000065114772 823945778 /nfs/dbraw/zinc/94/57/78/823945778.db2.gz NQQZAFOKUYATCP-UHFFFAOYSA-N 1 0 377.941 4.410 20 0 GIADRO COc1ccc(C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)cc1F ZINC000575224348 823945926 /nfs/dbraw/zinc/94/59/26/823945926.db2.gz AAJHOSIITNRRJT-UHFFFAOYSA-N 1 0 392.858 4.213 20 0 GIADRO COc1cccc(CN(CC[NH+](C)C)C(=O)Nc2cc(C)ccc2Cl)c1 ZINC000192329395 823947324 /nfs/dbraw/zinc/94/73/24/823947324.db2.gz ABRVICAGAQNABE-UHFFFAOYSA-N 1 0 375.900 4.253 20 0 GIADRO Cc1oc(-c2ccsc2)nc1CC(=O)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000170704755 823947676 /nfs/dbraw/zinc/94/76/76/823947676.db2.gz YDYNBBCYASXKEH-SFHVURJKSA-N 1 0 393.512 4.265 20 0 GIADRO CC[C@H](NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1)c1ccc(F)cc1F ZINC000126774114 823947831 /nfs/dbraw/zinc/94/78/31/823947831.db2.gz IBLIUIPNTAMSFM-IBGZPJMESA-N 1 0 379.426 4.116 20 0 GIADRO Cc1nc2ccccc2cc1C(=O)N(C)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000126776003 823948619 /nfs/dbraw/zinc/94/86/19/823948619.db2.gz ADDSCYFFYKUDSW-UHFFFAOYSA-N 1 0 389.499 4.294 20 0 GIADRO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]C[C@@H](C)CC(F)(F)F)cc1 ZINC000414285429 823951343 /nfs/dbraw/zinc/95/13/43/823951343.db2.gz RMZDUMKTGNPQJY-BHYGNILZSA-N 1 0 377.472 4.258 20 0 GIADRO CC[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1nnc2n1CCCCC2 ZINC000575311332 823952437 /nfs/dbraw/zinc/95/24/37/823952437.db2.gz BFMXEUMIIYQNQR-RTWAWAEBSA-N 1 0 393.579 4.242 20 0 GIADRO Cc1cc(C[NH2+][C@H](CN2CCCC2=O)c2ccccc2)ccc1C(F)(F)F ZINC000414301722 823954246 /nfs/dbraw/zinc/95/42/46/823954246.db2.gz BSNHIHDXBPIMIT-LJQANCHMSA-N 1 0 376.422 4.467 20 0 GIADRO Cc1cc(C[NH2+]Cc2cccc(NC(=O)[C@@H]3CCCO3)c2)ccc1C(F)(F)F ZINC000414306351 823954658 /nfs/dbraw/zinc/95/46/58/823954658.db2.gz OCUFHFZURMYTQR-IBGZPJMESA-N 1 0 392.421 4.421 20 0 GIADRO CC(C)c1nc2n(n1)CCC[C@H]2[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000575324967 823955555 /nfs/dbraw/zinc/95/55/55/823955555.db2.gz DWVGDRQOARJTRB-RHSMWYFYSA-N 1 0 389.341 4.146 20 0 GIADRO COC[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)c(Br)c2)C1 ZINC000575324981 823956018 /nfs/dbraw/zinc/95/60/18/823956018.db2.gz GDIWIRTWJYYVGN-GOSISDBHSA-N 1 0 390.321 4.496 20 0 GIADRO COCCOc1ccc([C@H](C)[NH2+]C[C@H]2CCCN(Cc3cccs3)C2)cc1 ZINC000126806827 823956202 /nfs/dbraw/zinc/95/62/02/823956202.db2.gz PJVJKYJAKPGHEP-RBUKOAKNSA-N 1 0 388.577 4.336 20 0 GIADRO CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C[C@H](CO)c2ccc(F)cc2)cc1 ZINC000414314779 823956388 /nfs/dbraw/zinc/95/63/88/823956388.db2.gz QVDFWMIZGLTSLN-QFBILLFUSA-N 1 0 387.499 4.126 20 0 GIADRO c1cc(-c2nc(CNC[C@H]3C[N@H+](Cc4ccccc4)CCCO3)cs2)cs1 ZINC000192355552 823957752 /nfs/dbraw/zinc/95/77/52/823957752.db2.gz WRLFODMXZGNELN-FQEVSTJZSA-N 1 0 399.585 4.252 20 0 GIADRO C[C@H]([NH2+]CC1(CS(C)(=O)=O)CCC1)c1ccc2ccccc2c1OC(F)F ZINC000414322029 823957846 /nfs/dbraw/zinc/95/78/46/823957846.db2.gz FEGMOQAUXZFSTP-AWEZNQCLSA-N 1 0 397.487 4.307 20 0 GIADRO CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2c2ccccc2)cc1 ZINC000414320468 823957925 /nfs/dbraw/zinc/95/79/25/823957925.db2.gz PMJKLNCMQSILHW-JKHABCDFSA-N 1 0 393.531 4.137 20 0 GIADRO Fc1cccc(C[N@H+](C[C@@H]2CCCO2)Cn2cnc3cc(F)c(F)cc32)c1 ZINC000065188320 823957934 /nfs/dbraw/zinc/95/79/34/823957934.db2.gz YLLJCGGUQKHYLT-INIZCTEOSA-N 1 0 375.394 4.092 20 0 GIADRO Brc1ccccc1C[C@H]([NH2+]Cc1nnc(C2CC2)s1)C1CC1 ZINC000414322129 823958304 /nfs/dbraw/zinc/95/83/04/823958304.db2.gz GAQNBUIBPYQBPZ-HNNXBMFYSA-N 1 0 378.339 4.289 20 0 GIADRO C[C@@H]([NH2+]CC1(CS(C)(=O)=O)CCC1)c1ccccc1OCc1ccccc1 ZINC000414329676 823959261 /nfs/dbraw/zinc/95/92/61/823959261.db2.gz PGNYZDVMOYQZJT-GOSISDBHSA-N 1 0 387.545 4.131 20 0 GIADRO Cc1cc(OCCC[C@@H](C)[NH2+]CC2(CS(C)(=O)=O)CCC2)ccc1Cl ZINC000414333204 823960213 /nfs/dbraw/zinc/96/02/13/823960213.db2.gz SRODQSYXYMHNKL-MRXNPFEDSA-N 1 0 387.973 4.000 20 0 GIADRO CC[C@H](C)[C@@H]([NH2+]Cc1ccc(COC)o1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000126824855 823960298 /nfs/dbraw/zinc/96/02/98/823960298.db2.gz LAFGZIQYCBQNEX-HTAPYJJXSA-N 1 0 399.535 4.169 20 0 GIADRO CC(C)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(Br)cc1C(F)(F)F ZINC000414339007 823961220 /nfs/dbraw/zinc/96/12/20/823961220.db2.gz JGOPKRQBWFGNAB-ZJUUUORDSA-N 1 0 381.236 4.032 20 0 GIADRO COc1cccc([C@@H]2C[C@H]2C[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)c1 ZINC000414340338 823961328 /nfs/dbraw/zinc/96/13/28/823961328.db2.gz MVCHVOQVQSRDHI-RDPSFJRHSA-N 1 0 382.523 4.235 20 0 GIADRO CC(C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(Br)cc1C(F)(F)F ZINC000414338999 823961363 /nfs/dbraw/zinc/96/13/63/823961363.db2.gz JGOPKRQBWFGNAB-NXEZZACHSA-N 1 0 381.236 4.032 20 0 GIADRO C[C@@H]([NH2+]Cc1cnn(C)c1C(F)(F)F)c1ccc(Oc2cccnc2)cc1 ZINC000575359727 823961484 /nfs/dbraw/zinc/96/14/84/823961484.db2.gz QOMKRZAKISWMQF-CYBMUJFWSA-N 1 0 376.382 4.477 20 0 GIADRO CCS(=O)(=O)CCC[NH2+][C@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21 ZINC000414344435 823961552 /nfs/dbraw/zinc/96/15/52/823961552.db2.gz ROOLKCFCQXYTNZ-HNNXBMFYSA-N 1 0 398.981 4.255 20 0 GIADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(Cc2cccc(C(=O)N3CCCCC3)c2)C1 ZINC000575359516 823961690 /nfs/dbraw/zinc/96/16/90/823961690.db2.gz MDAAMEZJKICUEV-VIZSFHNOSA-N 1 0 383.580 4.150 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCN(c2ccc(F)cc2)C1)c1ncc(Br)cc1F ZINC000414344964 823961657 /nfs/dbraw/zinc/96/16/57/823961657.db2.gz KSUNNJXEWSHMBX-RISCZKNCSA-N 1 0 382.252 4.052 20 0 GIADRO CC[C@H](c1ccncc1)N(C)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000126835469 823962520 /nfs/dbraw/zinc/96/25/20/823962520.db2.gz MCJKVPKKXADGEV-PGRDOPGGSA-N 1 0 380.536 4.400 20 0 GIADRO CC(C)NC(=O)[C@H](C)[NH2+][C@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21 ZINC000414353914 823963363 /nfs/dbraw/zinc/96/33/63/823963363.db2.gz ZPXIFZANXBKRLU-WFASDCNBSA-N 1 0 377.941 4.344 20 0 GIADRO CNC(=O)c1cccc(C[NH2+][C@@](C)(c2ccc(Br)cc2)C(C)C)c1 ZINC000192373523 823963719 /nfs/dbraw/zinc/96/37/19/823963719.db2.gz BGXMCBMHBVMXLD-HXUWFJFHSA-N 1 0 389.337 4.470 20 0 GIADRO Brc1cc2c(c(C[NH2+]C[C@@H]3CCO[C@H]3c3ccccc3)c1)OCC2 ZINC000192375946 823964500 /nfs/dbraw/zinc/96/45/00/823964500.db2.gz AXMMBGYFMYTBDM-LPHOPBHVSA-N 1 0 388.305 4.251 20 0 GIADRO CCOCC[C@H](O)C[NH2+][C@H](c1ccccc1)c1ccc(Br)cc1F ZINC000575377475 823965539 /nfs/dbraw/zinc/96/55/39/823965539.db2.gz SAXHUWSZONDGGD-QFBILLFUSA-N 1 0 396.300 4.055 20 0 GIADRO CC(C)c1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)CCC2 ZINC000414372319 823967321 /nfs/dbraw/zinc/96/73/21/823967321.db2.gz ZREXYHAQBYBYSD-IBGZPJMESA-N 1 0 392.952 4.278 20 0 GIADRO CN(C(=O)c1cc2cccc(F)c2o1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000126856152 823967562 /nfs/dbraw/zinc/96/75/62/823967562.db2.gz KDKJFTQPYIIWDQ-UHFFFAOYSA-N 1 0 382.435 4.323 20 0 GIADRO Cc1cc(N2CCC([NH2+]Cc3ccc(C(F)(F)F)c(C)c3)CC2)nc(C)n1 ZINC000414373201 823967895 /nfs/dbraw/zinc/96/78/95/823967895.db2.gz YVESLMCMBSWMCX-UHFFFAOYSA-N 1 0 378.442 4.179 20 0 GIADRO COCc1cc([C@@H](C)[NH2+]C[C@@H]2CCCN(Cc3cccs3)C2)ccc1OC ZINC000126858168 823967969 /nfs/dbraw/zinc/96/79/69/823967969.db2.gz ONTNDNIXOXVWQT-MSOLQXFVSA-N 1 0 388.577 4.466 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)C2CCCC2)C1)c1ccc(F)cc1Br ZINC000126861271 823968396 /nfs/dbraw/zinc/96/83/96/823968396.db2.gz AARBLWRLUNPSGG-SWLSCSKDSA-N 1 0 383.305 4.030 20 0 GIADRO Cc1cc(C(=O)NC2CC[NH+](CCSc3ccccc3F)CC2)c(C)o1 ZINC000170776576 823968539 /nfs/dbraw/zinc/96/85/39/823968539.db2.gz NMATWGJYOMSYSB-UHFFFAOYSA-N 1 0 376.497 4.022 20 0 GIADRO CCC[N@H+](CC)Cc1ccc(C(=O)Nc2ccc3c(cc(C)c(=O)n3C)c2)cc1 ZINC000575413585 823969030 /nfs/dbraw/zinc/96/90/30/823969030.db2.gz SPXQYFZXHTWZNQ-UHFFFAOYSA-N 1 0 391.515 4.331 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1cnc(-c2ccccn2)s1 ZINC000170777908 823969117 /nfs/dbraw/zinc/96/91/17/823969117.db2.gz KFIBVGALDUHXFO-UHFFFAOYSA-N 1 0 392.528 4.121 20 0 GIADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H](c2ccccc2F)C2CCCC2)cc1Cl ZINC000414377445 823969318 /nfs/dbraw/zinc/96/93/18/823969318.db2.gz JCCUWZMQTIINNX-LJQANCHMSA-N 1 0 396.915 4.148 20 0 GIADRO Cc1cccc2c(CC(=O)NC3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)c[nH]c21 ZINC000126872833 823971263 /nfs/dbraw/zinc/97/12/63/823971263.db2.gz QQERBIGIDMMZKE-FRIKZZABSA-N 1 0 387.527 4.331 20 0 GIADRO CCN(Cc1occc1C)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000414409647 823974611 /nfs/dbraw/zinc/97/46/11/823974611.db2.gz HCFGKIQLCIGOSW-UHFFFAOYSA-N 1 0 384.524 4.092 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc3c2OCCC3)[C@H]1c1cccs1 ZINC000575636405 823981986 /nfs/dbraw/zinc/98/19/86/823981986.db2.gz NUQUAUANZPITTM-APWZRJJASA-N 1 0 385.533 4.278 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cc(C(F)(F)F)ccn1 ZINC000192420222 823982300 /nfs/dbraw/zinc/98/23/00/823982300.db2.gz XDGHLPHIMDUCQF-INIZCTEOSA-N 1 0 392.425 4.086 20 0 GIADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@@H](OCC2CC2)c2ccc(Cl)cc2)s1 ZINC000414434778 823984795 /nfs/dbraw/zinc/98/47/95/823984795.db2.gz DUNYSTUNDKWQED-QGZVFWFLSA-N 1 0 399.965 4.063 20 0 GIADRO CC[C@@H]1c2ccsc2CCN1C(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000126938368 823985284 /nfs/dbraw/zinc/98/52/84/823985284.db2.gz JBZCUFYRFKXFEQ-OAQYLSRUSA-N 1 0 398.572 4.102 20 0 GIADRO O=C(Nc1ccc2c(c1)OCO2)C1CC[NH+]([C@@H]2CCCc3ccccc32)CC1 ZINC000170834574 823985363 /nfs/dbraw/zinc/98/53/63/823985363.db2.gz GVNJZEQDCNWDHX-HXUWFJFHSA-N 1 0 378.472 4.143 20 0 GIADRO CCOc1ccc(C(=O)N2CCC([NH2+]C3CC(c4ccccc4)C3)CC2)cc1 ZINC000126939883 823985729 /nfs/dbraw/zinc/98/57/29/823985729.db2.gz YRMQAFTXTKWPCQ-UHFFFAOYSA-N 1 0 378.516 4.226 20 0 GIADRO O=C(c1ccc(Cl)cc1)c1ccccc1C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000126939771 823985844 /nfs/dbraw/zinc/98/58/44/823985844.db2.gz LZJZRGFIYFIDBZ-KRWDZBQOSA-N 1 0 396.918 4.129 20 0 GIADRO C[C@@H](NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(-c2ccncc2)cc1 ZINC000575758410 823987672 /nfs/dbraw/zinc/98/76/72/823987672.db2.gz BWNMLUBZQLMPBZ-DVECYGJZSA-N 1 0 385.511 4.448 20 0 GIADRO Cc1cc(C[NH+](C)C)ccc1NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000414453256 823987982 /nfs/dbraw/zinc/98/79/82/823987982.db2.gz BDDYCVUNLLVUKX-UHFFFAOYSA-N 1 0 387.332 4.305 20 0 GIADRO Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@H](c1ccccc1)C1(CO)CCC1 ZINC000414453304 823988076 /nfs/dbraw/zinc/98/80/76/823988076.db2.gz ORFOKGRGMGOHDU-JOCHJYFZSA-N 1 0 379.479 4.313 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3cccc4c3CCC4)cc2F)CC1 ZINC000170849670 823989974 /nfs/dbraw/zinc/98/99/74/823989974.db2.gz HCFORNUPYIRPCU-UHFFFAOYSA-N 1 0 381.495 4.097 20 0 GIADRO COc1cc(Br)c(CNc2ccc(C[NH+](C)C)cc2F)cc1OC ZINC000414481466 823992550 /nfs/dbraw/zinc/99/25/50/823992550.db2.gz BVEQJHJZMKOLCN-UHFFFAOYSA-N 1 0 397.288 4.279 20 0 GIADRO C[C@H](CC(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccccc1F ZINC000126976234 823992945 /nfs/dbraw/zinc/99/29/45/823992945.db2.gz ZGLKVKIMWUUTSP-QGZVFWFLSA-N 1 0 384.495 4.162 20 0 GIADRO COC(=O)[C@@H](C)c1cccc(NC2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)c1 ZINC000414489551 823994278 /nfs/dbraw/zinc/99/42/78/823994278.db2.gz QCTGOMUCKFRMMP-OALUTQOASA-N 1 0 380.532 4.471 20 0 GIADRO COc1cccc2c1CC[C@H]([NH2+]Cc1cccc(COC3CCOCC3)c1)C2 ZINC000192442399 823994609 /nfs/dbraw/zinc/99/46/09/823994609.db2.gz LAGNERNSOZNAFT-NRFANRHFSA-N 1 0 381.516 4.038 20 0 GIADRO COc1cccc2c1CC[C@H]([NH2+]CCc1nc(-c3ccc(Cl)cc3)no1)C2 ZINC000192445357 823995211 /nfs/dbraw/zinc/99/52/11/823995211.db2.gz NNIJEMJJVYMBHP-KRWDZBQOSA-N 1 0 383.879 4.088 20 0 GIADRO COc1ccc(C(=O)Nc2cccc(C[NH2+][C@H](C)[C@@](C)(OC)C3CC3)c2)cc1 ZINC000414497435 823995426 /nfs/dbraw/zinc/99/54/26/823995426.db2.gz FUKWNEYARPBLLN-WAIKUNEKSA-N 1 0 382.504 4.241 20 0 GIADRO CCOC(=O)c1ccn(-c2cccc(C[NH2+]Cc3ccc([C@H]4C[C@H]4C)o3)c2)n1 ZINC000575787938 823996044 /nfs/dbraw/zinc/99/60/44/823996044.db2.gz IVTGBPKOWRJIQT-BEFAXECRSA-N 1 0 379.460 4.055 20 0 GIADRO CO[C@](C)([C@@H](C)[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1)C1CC1 ZINC000414500661 823996348 /nfs/dbraw/zinc/99/63/48/823996348.db2.gz MCRVJEWUIRVOGX-KZULUSFZSA-N 1 0 378.314 4.132 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+]Cc2cnc(-c3ccc(C)cc3)s2)cn1 ZINC000414502195 823996631 /nfs/dbraw/zinc/99/66/31/823996631.db2.gz FSQDNLGXTDMOQU-FXAWDEMLSA-N 1 0 382.533 4.202 20 0 GIADRO OC1(Cc2ccc(F)cc2F)C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc2c(c1)CCO2 ZINC000575788396 823996672 /nfs/dbraw/zinc/99/66/72/823996672.db2.gz NIPYAXQZPKVRAQ-DETIRCLXSA-N 1 0 385.454 4.000 20 0 GIADRO COc1cc(C[NH2+]Cc2cnccc2C(C)(C)C)cc(OC)c1OCC(F)F ZINC000414502722 823996852 /nfs/dbraw/zinc/99/68/52/823996852.db2.gz UTHJOFNSUCVSBR-UHFFFAOYSA-N 1 0 394.462 4.330 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+]Cc2ccc(Cl)cc2Br)cn1 ZINC000414503697 823996862 /nfs/dbraw/zinc/99/68/62/823996862.db2.gz MRTBWKOZUKVIED-SUMWQHHRSA-N 1 0 398.732 4.186 20 0 GIADRO C[C@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2OCc2ccccn2)CS1 ZINC000414503261 823997091 /nfs/dbraw/zinc/99/70/91/823997091.db2.gz QKELXFYEPSYECT-GUYCJALGSA-N 1 0 393.350 4.407 20 0 GIADRO Cc1cc(C[NH2+][C@H](C)c2cccc(NS(C)(=O)=O)c2)cc(C)c1OC(F)F ZINC000126998732 823997796 /nfs/dbraw/zinc/99/77/96/823997796.db2.gz YAHBBQSCFDVZHP-CQSZACIVSA-N 1 0 398.475 4.127 20 0 GIADRO C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+]Cc1ccccc1S(C)(=O)=O ZINC000414509888 823997995 /nfs/dbraw/zinc/99/79/95/823997995.db2.gz STTBEUCYTNPHSG-UVTDQMKNSA-N 1 0 383.435 4.302 20 0 GIADRO Cc1cc(C)n2c(C[NH2+]Cc3cc(Cl)cc(Br)c3)cnc2n1 ZINC000414509626 823998029 /nfs/dbraw/zinc/99/80/29/823998029.db2.gz ZUEFNBXCCIONCW-UHFFFAOYSA-N 1 0 379.689 4.052 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(C(C)(C)C)s1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000127001537 823998163 /nfs/dbraw/zinc/99/81/63/823998163.db2.gz HMFBOUDBZIDMFX-CQSZACIVSA-N 1 0 380.579 4.147 20 0 GIADRO CS(=O)(=O)c1ccccc1C[NH2+][C@H]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000414510131 823998382 /nfs/dbraw/zinc/99/83/82/823998382.db2.gz UFRPPFNBCLMZPH-IBGZPJMESA-N 1 0 375.921 4.469 20 0 GIADRO O=C(NCCc1c[nH]c2ccccc12)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000170881485 823999295 /nfs/dbraw/zinc/99/92/95/823999295.db2.gz PUQKJFDVDILSCL-LJQANCHMSA-N 1 0 382.552 4.008 20 0 GIADRO CO[C@H]1CCN(C(=O)Nc2ccc(SCC[NH+]3CCCCC3)cc2)C[C@@H]1C ZINC000575801483 823999908 /nfs/dbraw/zinc/99/99/08/823999908.db2.gz VLEZWGKFKSKSPD-PXNSSMCTSA-N 1 0 391.581 4.153 20 0 GIADRO C[C@@H]1C[C@@H](C[NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)[C@@H](C)O1 ZINC000414521415 824000487 /nfs/dbraw/zinc/00/04/87/824000487.db2.gz WDBTVZRXJRNMTL-BZPMIXESSA-N 1 0 381.339 4.476 20 0 GIADRO Cc1ccc(Br)c(C[NH2+]C[C@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000414522341 824000843 /nfs/dbraw/zinc/00/08/43/824000843.db2.gz XEWKONXYIGPNFT-AWEZNQCLSA-N 1 0 396.350 4.054 20 0 GIADRO COc1cc(C[NH2+][C@@H](C)C2(OC)CCC2)cc(OC)c1OCc1ccccc1 ZINC000414526822 824002048 /nfs/dbraw/zinc/00/20/48/824002048.db2.gz PQNFGPWPNSLCIY-KRWDZBQOSA-N 1 0 385.504 4.330 20 0 GIADRO COc1cc(C[NH2+][C@H](C)C2(OC)CCC2)cc(OC)c1OCc1ccccc1 ZINC000414526823 824002170 /nfs/dbraw/zinc/00/21/70/824002170.db2.gz PQNFGPWPNSLCIY-QGZVFWFLSA-N 1 0 385.504 4.330 20 0 GIADRO COc1cc(C[NH2+][C@H](c2ccccc2)C2(CO)CCCCC2)cc(OC)c1O ZINC000414525606 824002203 /nfs/dbraw/zinc/00/22/03/824002203.db2.gz JWGQMEBXLHNOFA-JOCHJYFZSA-N 1 0 385.504 4.183 20 0 GIADRO O=C(Nc1cc2c(cc1Br)CCC2)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000192468523 824002624 /nfs/dbraw/zinc/00/26/24/824002624.db2.gz PFGPISKLQSFPSX-MRXNPFEDSA-N 1 0 392.341 4.030 20 0 GIADRO COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[NH2+]C2(c3ccccc3)CCC2)c1 ZINC000170907442 824003713 /nfs/dbraw/zinc/00/37/13/824003713.db2.gz OWLFEHOMESCVQC-NRFANRHFSA-N 1 0 394.515 4.036 20 0 GIADRO CC(C)COc1ccc(C[NH2+][C@H](c2ccccc2)C2(CO)CCOCC2)cc1 ZINC000414534237 824003967 /nfs/dbraw/zinc/00/39/67/824003967.db2.gz GBOKKBCDIQJVFT-HSZRJFAPSA-N 1 0 383.532 4.341 20 0 GIADRO O=C(Nc1ccc(-c2nc3cc(F)ccc3[nH]2)cc1)C1CC[NH+](C2CC2)CC1 ZINC000192472696 824004416 /nfs/dbraw/zinc/00/44/16/824004416.db2.gz GLCFYLHFVYTIHF-UHFFFAOYSA-N 1 0 378.451 4.182 20 0 GIADRO Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000127038661 824005301 /nfs/dbraw/zinc/00/53/01/824005301.db2.gz PXEDHUFFRYLXPM-NVXWUHKLSA-N 1 0 380.602 4.399 20 0 GIADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cccc(Oc3ccc(Cl)c(Cl)c3)n2)C1 ZINC000127037163 824005371 /nfs/dbraw/zinc/00/53/71/824005371.db2.gz ZMTBKVDGPIDNOH-CYBMUJFWSA-N 1 0 394.302 4.347 20 0 GIADRO O=C(Nc1cc2c(cc1Br)CCC2)N1CCC([NH+]2CCCC2)CC1 ZINC000192475117 824005411 /nfs/dbraw/zinc/00/54/11/824005411.db2.gz UZMOCRWFFNSBFI-UHFFFAOYSA-N 1 0 392.341 4.030 20 0 GIADRO OCC1([C@H]([NH2+]Cc2ccc(OC(F)F)c(F)c2)c2ccccc2)CCOCC1 ZINC000414542851 824006588 /nfs/dbraw/zinc/00/65/88/824006588.db2.gz SKEMKQQDUIEJFU-LJQANCHMSA-N 1 0 395.421 4.047 20 0 GIADRO Cc1nc(COc2ccc(C[N@@H+]3CCC[C@@H](N4CCCC4=O)CC3)cc2)cs1 ZINC000414543886 824007042 /nfs/dbraw/zinc/00/70/42/824007042.db2.gz CNLXYLDZNKXLOJ-HXUWFJFHSA-N 1 0 399.560 4.007 20 0 GIADRO Cc1ncc([C@H](C)[NH2+]C[C@H](c2c(F)cccc2Cl)N2CCO[C@H](C)C2)s1 ZINC000127049035 824007235 /nfs/dbraw/zinc/00/72/35/824007235.db2.gz QCDVFBWRHHOLAL-IIYDPXPESA-N 1 0 397.947 4.357 20 0 GIADRO C[N@H+](Cn1ccc(=O)c2cccc(Br)c21)[C@@H]1CCc2ccccc21 ZINC000170938308 824009053 /nfs/dbraw/zinc/00/90/53/824009053.db2.gz NYEUVLREHCJOCW-GOSISDBHSA-N 1 0 383.289 4.341 20 0 GIADRO COc1cccc([C@@H](CNC(=O)Nc2ccc3oc(C)nc3c2)[NH+]2CCCC2)c1 ZINC000127069635 824011120 /nfs/dbraw/zinc/01/11/20/824011120.db2.gz HESIFRVYSVKRNJ-HXUWFJFHSA-N 1 0 394.475 4.103 20 0 GIADRO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC000414556905 824011214 /nfs/dbraw/zinc/01/12/14/824011214.db2.gz WGOWKGRNIFZXRJ-QFIPXVFZSA-N 1 0 396.506 4.382 20 0 GIADRO C/C(=C\c1ccccc1OC(F)F)C[N@@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000414556485 824011275 /nfs/dbraw/zinc/01/12/75/824011275.db2.gz VXOVXEMDYMINSR-ZWFBASDOSA-N 1 0 378.463 4.168 20 0 GIADRO CSc1cc(Br)ccc1C[N@@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000414556334 824011483 /nfs/dbraw/zinc/01/14/83/824011483.db2.gz VMUPZIJXZOKJMD-MRXNPFEDSA-N 1 0 397.382 4.148 20 0 GIADRO C[C@H]([NH2+]C1(CNC(=O)c2cnc([C@H]3CCCO3)s2)CCCC1)c1ccccc1 ZINC000127073933 824011950 /nfs/dbraw/zinc/01/19/50/824011950.db2.gz ZFQVGZPTRDCZLE-FUHWJXTLSA-N 1 0 399.560 4.388 20 0 GIADRO CC(C)(C[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1)c1cccnc1 ZINC000414559034 824012623 /nfs/dbraw/zinc/01/26/23/824012623.db2.gz OAHQCNPDSIHJTD-UHFFFAOYSA-N 1 0 385.309 4.302 20 0 GIADRO OC[C@@H]1C[N@H+](Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)CC[C@H]1O ZINC000414560300 824012887 /nfs/dbraw/zinc/01/28/87/824012887.db2.gz QMOWHUUIESEJBF-SQJMNOBHSA-N 1 0 388.511 4.332 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)Cc2cc(F)c(F)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000127078569 824012889 /nfs/dbraw/zinc/01/28/89/824012889.db2.gz XDPVDJKUEBSJLK-CRAIPNDOSA-N 1 0 390.449 4.158 20 0 GIADRO Clc1cccc(C2(C[NH2+][C@@H]3CCCc4c3cnn4-c3ncccn3)CC2)c1 ZINC000575855106 824013352 /nfs/dbraw/zinc/01/33/52/824013352.db2.gz RAWWBRGNPWXJJH-GOSISDBHSA-N 1 0 379.895 4.015 20 0 GIADRO CC(C)[N@@H+](Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1)C[C@H]1CCC(=O)N1 ZINC000414566036 824014136 /nfs/dbraw/zinc/01/41/36/824014136.db2.gz ZZBDBDDRFWZQFQ-HXUWFJFHSA-N 1 0 399.922 4.081 20 0 GIADRO Cc1c([C@H](C)[NH2+]Cc2ccc3c(c2)sc(=O)n3C)cnn1-c1ccc(F)cc1 ZINC000192506838 824014344 /nfs/dbraw/zinc/01/43/44/824014344.db2.gz HQMHYRXUJLLYKT-ZDUSSCGKSA-N 1 0 396.491 4.084 20 0 GIADRO C[C@@H](C(=O)Nc1c(F)cccc1F)[N@H+](C)CCc1ccc(Br)cc1 ZINC000170954105 824016312 /nfs/dbraw/zinc/01/63/12/824016312.db2.gz KXOCGHHVCZBYPS-LBPRGKRZSA-N 1 0 397.263 4.229 20 0 GIADRO O=C([C@@H](Sc1ccccc1)c1ccccc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000127101260 824017338 /nfs/dbraw/zinc/01/73/38/824017338.db2.gz KMOFJGSLYJMIKL-KNQAVFIVSA-N 1 0 380.557 4.464 20 0 GIADRO O=C([C@H](Sc1ccccc1)c1ccccc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000127101915 824017800 /nfs/dbraw/zinc/01/78/00/824017800.db2.gz KMOFJGSLYJMIKL-SIKLNZKXSA-N 1 0 380.557 4.464 20 0 GIADRO c1ccc(OCc2ccc(-c3noc(CSC4CC[NH2+]CC4)n3)cc2)cc1 ZINC000414628831 824019238 /nfs/dbraw/zinc/01/92/38/824019238.db2.gz SPIXAOWCZQLUFC-UHFFFAOYSA-N 1 0 381.501 4.301 20 0 GIADRO O=C(CC[NH+]1CCC(CC(F)(F)F)CC1)Nc1cccc(Br)c1 ZINC000575888827 824020822 /nfs/dbraw/zinc/02/08/22/824020822.db2.gz NYHWYCOPTXKCJJ-UHFFFAOYSA-N 1 0 393.247 4.442 20 0 GIADRO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000575889787 824020839 /nfs/dbraw/zinc/02/08/39/824020839.db2.gz OAHBCQQFOAYKTA-DZFGPLHGSA-N 1 0 393.499 4.482 20 0 GIADRO CN(Cc1ccc(F)cc1Cl)C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000170965251 824021599 /nfs/dbraw/zinc/02/15/99/824021599.db2.gz UCKZDTAGHUWEOY-UHFFFAOYSA-N 1 0 381.923 4.275 20 0 GIADRO O=C(Nc1cc(C(F)(F)F)ccc1Cl)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000414665221 824021793 /nfs/dbraw/zinc/02/17/93/824021793.db2.gz DYISUUWXBCLKRV-GFCCVEGCSA-N 1 0 375.822 4.212 20 0 GIADRO CC(C)[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1)c1ccc(C(C)(C)C)cc1 ZINC000414668473 824022266 /nfs/dbraw/zinc/02/22/66/824022266.db2.gz IWFHVBGTBGYMSM-IERDGZPVSA-N 1 0 395.547 4.456 20 0 GIADRO CC(C)[C@H](NC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2)c1ccc(C(C)(C)C)cc1 ZINC000414670424 824022538 /nfs/dbraw/zinc/02/25/38/824022538.db2.gz MJHDJXODNVKAQB-NRFANRHFSA-N 1 0 393.531 4.039 20 0 GIADRO CC[N@@H+]1CC[C@H](CNC(=O)CCN2c3ccccc3Sc3ccccc32)C1 ZINC000170969534 824022844 /nfs/dbraw/zinc/02/28/44/824022844.db2.gz WEHYOBUSTMSRCU-QGZVFWFLSA-N 1 0 381.545 4.137 20 0 GIADRO Cc1ncc([C@@H](C)[NH2+]C[C@@H]2CCN(c3cccc(Br)c3)C2)s1 ZINC000127140146 824024544 /nfs/dbraw/zinc/02/45/44/824024544.db2.gz USITVOQRQOCLJL-OCCSQVGLSA-N 1 0 380.355 4.391 20 0 GIADRO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414694121 824024745 /nfs/dbraw/zinc/02/47/45/824024745.db2.gz MNTQACRDVPGQDL-VXGBXAGGSA-N 1 0 375.822 4.212 20 0 GIADRO Cc1ccc(Oc2ccc(NC(=O)N3CCC(OCCC[NH3+])CC3)cc2)cc1 ZINC000414708419 824025050 /nfs/dbraw/zinc/02/50/50/824025050.db2.gz CTJJVPIZCVQKMJ-UHFFFAOYSA-N 1 0 383.492 4.149 20 0 GIADRO CCCOc1ccc(C(F)(F)F)cc1NC(=O)N1CCC(CC[NH2+]C)CC1 ZINC000414712573 824025390 /nfs/dbraw/zinc/02/53/90/824025390.db2.gz SQZRXTMCCQRDIC-UHFFFAOYSA-N 1 0 387.446 4.348 20 0 GIADRO COCCNc1ccc(C[NH2+][C@@H](C)c2sc(-c3cccnc3)nc2C)cc1 ZINC000127143050 824025961 /nfs/dbraw/zinc/02/59/61/824025961.db2.gz GNNSMFDUWPSCAG-HNNXBMFYSA-N 1 0 382.533 4.423 20 0 GIADRO Cc1ccc(Oc2ccc(NC(=O)N3C[C@@H](C[NH3+])C4(C3)CCOCC4)cc2)cc1 ZINC000414718706 824026008 /nfs/dbraw/zinc/02/60/08/824026008.db2.gz SKARIUHYWLXEEJ-GOSISDBHSA-N 1 0 395.503 4.007 20 0 GIADRO Cc1cc(Br)ccc1NC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000414721294 824026619 /nfs/dbraw/zinc/02/66/19/824026619.db2.gz GEXVRAIMWUYNOZ-PBHICJAKSA-N 1 0 380.330 4.144 20 0 GIADRO COc1ccc(Oc2ccc(Cl)cc2NC(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000414722546 824026979 /nfs/dbraw/zinc/02/69/79/824026979.db2.gz GGETUSODRBRKCM-GUYCJALGSA-N 1 0 389.883 4.342 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000127149983 824027235 /nfs/dbraw/zinc/02/72/35/824027235.db2.gz VOGUNLNAOALPCG-GOEBONIOSA-N 1 0 380.916 4.147 20 0 GIADRO CN(C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1)[C@@H](C[NH3+])C1CC1 ZINC000414723426 824027404 /nfs/dbraw/zinc/02/74/04/824027404.db2.gz CAFVPSWUVAXZJK-SFHVURJKSA-N 1 0 380.517 4.088 20 0 GIADRO CO[C@H]1CCN(C(=O)Nc2ccc(Sc3ccc(C)cc3C)cc2)[C@@H](C[NH3+])C1 ZINC000414723253 824027427 /nfs/dbraw/zinc/02/74/27/824027427.db2.gz IAAUSVYASIXHGT-MOPGFXCFSA-N 1 0 399.560 4.425 20 0 GIADRO Cc1ncc([C@H](C)[NH2+]C[C@H]2CCN(c3ccc(Br)cc3)C2)s1 ZINC000127156288 824028196 /nfs/dbraw/zinc/02/81/96/824028196.db2.gz UTJDVXPJRRRTEA-GXTWGEPZSA-N 1 0 380.355 4.391 20 0 GIADRO Cc1ncc([C@@H](C)[NH2+]C[C@H]2CCN(c3ccc(Br)cc3)C2)s1 ZINC000127156030 824028204 /nfs/dbraw/zinc/02/82/04/824028204.db2.gz UTJDVXPJRRRTEA-TZMCWYRMSA-N 1 0 380.355 4.391 20 0 GIADRO Cc1ccc(C2(C(=O)N[C@H](C[NH3+])c3ccc4ccccc4c3)CCOCC2)cc1 ZINC000192547871 824028311 /nfs/dbraw/zinc/02/83/11/824028311.db2.gz UFKCOEUFPQTHPH-HSZRJFAPSA-N 1 0 388.511 4.013 20 0 GIADRO C[C@H]1CCCN(C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)[C@@H]1C[NH3+] ZINC000414726595 824028699 /nfs/dbraw/zinc/02/86/99/824028699.db2.gz LHNCLNKEFLMMCS-HNAYVOBHSA-N 1 0 394.544 4.478 20 0 GIADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000414730075 824029054 /nfs/dbraw/zinc/02/90/54/824029054.db2.gz RAFHASKLMSQCNL-HOCLYGCPSA-N 1 0 380.517 4.088 20 0 GIADRO CCCN(C(=O)Nc1ncc(Cc2ccccc2Cl)s1)C1CC[NH2+]CC1 ZINC000414728850 824029222 /nfs/dbraw/zinc/02/92/22/824029222.db2.gz DCZROSWDSSFGQF-UHFFFAOYSA-N 1 0 392.956 4.383 20 0 GIADRO C[C@H](OC[C@H](O)C[NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1)c1ccc(Cl)cc1 ZINC000575917913 824029564 /nfs/dbraw/zinc/02/95/64/824029564.db2.gz ZAAWNRNQVCSTBD-ZJQURUERSA-N 1 0 389.923 4.288 20 0 GIADRO C[NH+]1CCC([C@H]2CCN(c3cc(C(F)(F)F)c(Br)cn3)C2)CC1 ZINC000575918581 824029703 /nfs/dbraw/zinc/02/97/03/824029703.db2.gz AQZPJJUUKNAAQN-LBPRGKRZSA-N 1 0 392.263 4.031 20 0 GIADRO C[NH+]1CCC([C@@H]2CCN(c3cc(C(F)(F)F)c(Br)cn3)C2)CC1 ZINC000575918580 824029764 /nfs/dbraw/zinc/02/97/64/824029764.db2.gz AQZPJJUUKNAAQN-GFCCVEGCSA-N 1 0 392.263 4.031 20 0 GIADRO CC1(NC(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)CC[NH2+]CC1 ZINC000414736856 824030818 /nfs/dbraw/zinc/03/08/18/824030818.db2.gz DFWPAWSVGJTVBX-UHFFFAOYSA-N 1 0 384.427 4.093 20 0 GIADRO Cc1cc(N2CCCC2)ccc1NC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000414738227 824031137 /nfs/dbraw/zinc/03/11/37/824031137.db2.gz ZYVDKJMCGYNURR-RTWAWAEBSA-N 1 0 396.510 4.083 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)c3ncsc3C(C)C)C2)s1 ZINC000575928744 824031169 /nfs/dbraw/zinc/03/11/69/824031169.db2.gz ZDFTWDBWBGBNQC-HNNXBMFYSA-N 1 0 377.579 4.231 20 0 GIADRO C[NH2+]CCC1CCN(C(=O)Nc2ncc(Cc3ccc(C)c(F)c3)s2)CC1 ZINC000414741068 824031581 /nfs/dbraw/zinc/03/15/81/824031581.db2.gz GZLJMPUXOQNAGD-UHFFFAOYSA-N 1 0 390.528 4.035 20 0 GIADRO CO[C@@H](C[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1)c1ccccc1 ZINC000575931682 824031732 /nfs/dbraw/zinc/03/17/32/824031732.db2.gz VSTARVXWYJGFDI-UTKZUKDTSA-N 1 0 385.483 4.047 20 0 GIADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 ZINC000414746633 824032435 /nfs/dbraw/zinc/03/24/35/824032435.db2.gz ZHZYDVUFDQXKRA-WDEREUQCSA-N 1 0 399.347 4.242 20 0 GIADRO CC1(C(=O)N2CC[C@@](F)(c3ccccc3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000575936934 824032550 /nfs/dbraw/zinc/03/25/50/824032550.db2.gz BUAXTOPTUMKIOC-DEOSSOPVSA-N 1 0 380.507 4.386 20 0 GIADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)C1 ZINC000414753991 824033247 /nfs/dbraw/zinc/03/32/47/824033247.db2.gz XEGVRCCLNUHMGC-AAEUAGOBSA-N 1 0 398.454 4.420 20 0 GIADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)C1 ZINC000414753993 824033341 /nfs/dbraw/zinc/03/33/41/824033341.db2.gz XEGVRCCLNUHMGC-WCQYABFASA-N 1 0 398.454 4.420 20 0 GIADRO C[C@H]([NH3+])c1ccc(CNC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)cc1 ZINC000414765192 824034279 /nfs/dbraw/zinc/03/42/79/824034279.db2.gz ZKRJJDQODJNCJQ-HNNXBMFYSA-N 1 0 375.476 4.091 20 0 GIADRO CO[C@@H]1CCN(C(=O)Nc2ccccc2Oc2ccccc2Cl)[C@H](C[NH3+])C1 ZINC000414763775 824034352 /nfs/dbraw/zinc/03/43/52/824034352.db2.gz NMFMHKKXXABVJG-LSDHHAIUSA-N 1 0 389.883 4.102 20 0 GIADRO CCCN(C(=O)NCc1nc(C)cs1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000171005899 824034648 /nfs/dbraw/zinc/03/46/48/824034648.db2.gz IOUSNPZYFSOGIX-IBGZPJMESA-N 1 0 386.565 4.038 20 0 GIADRO Cc1cc(NC(=O)N(C)CC[C@@H]([NH3+])C(C)C)n(-c2cccc(C(F)(F)F)c2)n1 ZINC000414775691 824034887 /nfs/dbraw/zinc/03/48/87/824034887.db2.gz MMPMMVBXVTVHBQ-MRXNPFEDSA-N 1 0 397.445 4.037 20 0 GIADRO Cc1ccccc1CN(Cc1cccnc1)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000171006567 824034955 /nfs/dbraw/zinc/03/49/55/824034955.db2.gz WTALCNVQXCOGDA-UHFFFAOYSA-N 1 0 394.563 4.222 20 0 GIADRO [NH3+]C[C@H]1CC[C@H](NC(=O)Nc2ccc(OC(F)F)c(Cc3ccccc3)c2)C1 ZINC000414781337 824035416 /nfs/dbraw/zinc/03/54/16/824035416.db2.gz HITQUTNDCDKTSE-RDJZCZTQSA-N 1 0 389.446 4.128 20 0 GIADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)Nc2ccc(OC(F)F)c(Cc3ccccc3)c2)C1 ZINC000414781336 824035482 /nfs/dbraw/zinc/03/54/82/824035482.db2.gz HITQUTNDCDKTSE-NVXWUHKLSA-N 1 0 389.446 4.128 20 0 GIADRO C[C@@H]([NH2+]C1(CNC(=O)[C@@H]2CCCc3cccnc32)CCCC1)c1ccccc1 ZINC000192570904 824035508 /nfs/dbraw/zinc/03/55/08/824035508.db2.gz YSWBBGQTWGHWHC-WIYYLYMNSA-N 1 0 377.532 4.281 20 0 GIADRO C[C@H]1CN(C(=O)Nc2ccc(OC(F)F)c(Cc3ccccc3)c2)CC[C@H]1[NH3+] ZINC000414788205 824036616 /nfs/dbraw/zinc/03/66/16/824036616.db2.gz NFKLETIDDVTYNM-KBXCAEBGSA-N 1 0 389.446 4.080 20 0 GIADRO CC(C)(CCCc1ccccc1)C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000192577363 824036698 /nfs/dbraw/zinc/03/66/98/824036698.db2.gz DFRPGVDCFKJRTA-UHFFFAOYSA-N 1 0 379.548 4.211 20 0 GIADRO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)NCC2(c3ccccc3)CCCCCC2)cc1 ZINC000414795636 824036930 /nfs/dbraw/zinc/03/69/30/824036930.db2.gz NHUNXJJMNYRAFA-GOSISDBHSA-N 1 0 393.531 4.053 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cc(C)n(-c2nccs2)c1C ZINC000171014073 824037584 /nfs/dbraw/zinc/03/75/84/824037584.db2.gz SOEDOKDWNCPZLT-UHFFFAOYSA-N 1 0 396.560 4.275 20 0 GIADRO COc1ccc(OCc2nc(CNCc3ccc([C@H](C)[NH3+])cc3)cs2)cc1 ZINC000414804978 824037967 /nfs/dbraw/zinc/03/79/67/824037967.db2.gz FXHMBPMSNXFGLD-HNNXBMFYSA-N 1 0 383.517 4.040 20 0 GIADRO O=C(CCC[NH2+]Cc1c(F)cccc1Br)N1Cc2ccccc2C1 ZINC000192584113 824038375 /nfs/dbraw/zinc/03/83/75/824038375.db2.gz YCOQJGALJUKZBI-UHFFFAOYSA-N 1 0 391.284 4.000 20 0 GIADRO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)C2CCCC2)cc1 ZINC000414814155 824038543 /nfs/dbraw/zinc/03/85/43/824038543.db2.gz NINJBWGNHFUQST-VBKZILBWSA-N 1 0 399.922 4.346 20 0 GIADRO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)C2CCCC2)cc1 ZINC000414814158 824038575 /nfs/dbraw/zinc/03/85/75/824038575.db2.gz NINJBWGNHFUQST-VLIAUNLRSA-N 1 0 399.922 4.346 20 0 GIADRO COc1ccc([C@H]([NH2+][C@H](C)C(=O)N[C@H](C)c2ccccc2OC)C2CC2)cc1 ZINC000192590525 824039472 /nfs/dbraw/zinc/03/94/72/824039472.db2.gz HGCHEZGHHAFVGB-XCGNWRKASA-N 1 0 382.504 4.010 20 0 GIADRO Cc1c2ccccc2oc1[C@@H](NC(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1)C(C)C ZINC000414820009 824039568 /nfs/dbraw/zinc/03/95/68/824039568.db2.gz BIAJLZFBHVOICB-QRWLVFNGSA-N 1 0 393.487 4.213 20 0 GIADRO CCCN(C(=O)Nc1cc(Cl)ccc1N1CCCCC1)C1CC[NH2+]CC1 ZINC000414828341 824039896 /nfs/dbraw/zinc/03/98/96/824039896.db2.gz ZKUKAUYOEMDPKP-UHFFFAOYSA-N 1 0 378.948 4.326 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)NC[C@@]2(C)CCCS2)CC1 ZINC000575964397 824039992 /nfs/dbraw/zinc/03/99/92/824039992.db2.gz DXCNLEMTPHXFOA-LJQANCHMSA-N 1 0 397.972 4.220 20 0 GIADRO CC(C)Sc1cccc(Cl)c1C[NH2+]C1CCC(S(C)(=O)=O)CC1 ZINC000192591960 824040033 /nfs/dbraw/zinc/04/00/33/824040033.db2.gz KTMBVMWRBYSWOG-UHFFFAOYSA-N 1 0 375.987 4.286 20 0 GIADRO CN(C)c1ccc(NC(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)c(C(F)(F)F)c1 ZINC000414846794 824041735 /nfs/dbraw/zinc/04/17/35/824041735.db2.gz HXKRZAQPPYJTMT-KSSFIOAISA-N 1 0 398.473 4.157 20 0 GIADRO COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](c2ccccc2)C2CC2)c1 ZINC000192598362 824041865 /nfs/dbraw/zinc/04/18/65/824041865.db2.gz SIASRMDWIJKRBM-DMPWYTOCSA-N 1 0 382.504 4.010 20 0 GIADRO O=C(Nc1ccccc1N1CCc2ccccc21)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000414853285 824042056 /nfs/dbraw/zinc/04/20/56/824042056.db2.gz XIIYVFZFBYHRFD-HXUWFJFHSA-N 1 0 390.531 4.234 20 0 GIADRO Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000414854902 824042498 /nfs/dbraw/zinc/04/24/98/824042498.db2.gz VKELBFFMZMSCGY-IRXDYDNUSA-N 1 0 383.540 4.069 20 0 GIADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1cc(C(C)(C)C)nn1-c1cccc(Cl)c1 ZINC000414854158 824042637 /nfs/dbraw/zinc/04/26/37/824042637.db2.gz UALVOKWGEORICJ-KGLIPLIRSA-N 1 0 389.931 4.024 20 0 GIADRO CC[NH2+]Cc1cccc(NCc2cc(OC)ccc2OCc2ccccn2)c1 ZINC000414860525 824043108 /nfs/dbraw/zinc/04/31/08/824043108.db2.gz CTRIPCQCSDSURW-UHFFFAOYSA-N 1 0 377.488 4.391 20 0 GIADRO CC[NH2+]Cc1ccccc1NCc1ccc(OCc2ccncc2)c(OC)c1 ZINC000414869434 824043464 /nfs/dbraw/zinc/04/34/64/824043464.db2.gz QDSJTPXPBBNWOF-UHFFFAOYSA-N 1 0 377.488 4.391 20 0 GIADRO Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000414878634 824044233 /nfs/dbraw/zinc/04/42/33/824044233.db2.gz GWUWXHDYDZNHQF-JOCHJYFZSA-N 1 0 382.508 4.132 20 0 GIADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NCc2csc(-c3ccc(F)cc3)n2)cc1 ZINC000414881259 824044739 /nfs/dbraw/zinc/04/47/39/824044739.db2.gz KSVWDJNIEMMESP-SFTDATJTSA-N 1 0 397.519 4.193 20 0 GIADRO Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)NCC1([NH3+])CCCCC1 ZINC000414882727 824044929 /nfs/dbraw/zinc/04/49/29/824044929.db2.gz LZQBOGHXBORHQF-UHFFFAOYSA-N 1 0 380.492 4.030 20 0 GIADRO Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000414884740 824045030 /nfs/dbraw/zinc/04/50/30/824045030.db2.gz OCEKEGVJMWFGEI-OAQYLSRUSA-N 1 0 394.519 4.276 20 0 GIADRO CCc1ccccc1[C@H]([NH3+])CNC(=O)Nc1ccc(OC)cc1C(F)(F)F ZINC000414886754 824045351 /nfs/dbraw/zinc/04/53/51/824045351.db2.gz CXAGAIFFCDXARB-MRXNPFEDSA-N 1 0 381.398 4.098 20 0 GIADRO CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@H](C)c1ccc(-n3cncn3)cc1)CCC2 ZINC000192610719 824045427 /nfs/dbraw/zinc/04/54/27/824045427.db2.gz QUVCDQPDTXXCFA-CRAIPNDOSA-N 1 0 394.475 4.074 20 0 GIADRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000414895775 824047135 /nfs/dbraw/zinc/04/71/35/824047135.db2.gz ZLGGJVHZQBYKLN-UZLBHIALSA-N 1 0 395.507 4.230 20 0 GIADRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000414894675 824047159 /nfs/dbraw/zinc/04/71/59/824047159.db2.gz UHWQLEYREQBJGL-RDJZCZTQSA-N 1 0 381.480 4.030 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000171049643 824047280 /nfs/dbraw/zinc/04/72/80/824047280.db2.gz ZAIYYWDYJWBOOO-FUHWJXTLSA-N 1 0 384.549 4.059 20 0 GIADRO C[N@@H+]1CCCC[C@H]1CN1CCN(CCCc2c(Cl)cccc2Cl)CC1 ZINC000192623475 824048311 /nfs/dbraw/zinc/04/83/11/824048311.db2.gz SOVNTFRXXHFMOC-KRWDZBQOSA-N 1 0 384.395 4.028 20 0 GIADRO CCCC(=O)Nc1cccc(NC(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)c1 ZINC000414914590 824049444 /nfs/dbraw/zinc/04/94/44/824049444.db2.gz KURNKSFZJIHVHW-HXUWFJFHSA-N 1 0 382.508 4.370 20 0 GIADRO Cc1cc(Br)cn2c(C[NH2+][C@@H]3CCCc4cc(N)ccc43)cnc12 ZINC000414922257 824050393 /nfs/dbraw/zinc/05/03/93/824050393.db2.gz FRVZLSZZMHRWNM-GOSISDBHSA-N 1 0 385.309 4.155 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@@H]1CCCc2cc(N)ccc21 ZINC000414921632 824050641 /nfs/dbraw/zinc/05/06/41/824050641.db2.gz DZVCJNKODRFYPF-FZKQIMNGSA-N 1 0 387.911 4.315 20 0 GIADRO CCCC[N@H+](C)C[C@H](C)NC(=O)Nc1ccc2nc(-c3ccccn3)oc2c1 ZINC000576019752 824050810 /nfs/dbraw/zinc/05/08/10/824050810.db2.gz MOPCLNGWKQRNSN-HNNXBMFYSA-N 1 0 381.480 4.132 20 0 GIADRO COc1ccc(C[NH2+][C@@H]2CCCc3cc(N)ccc32)cc1OCc1cccnc1 ZINC000414924191 824050982 /nfs/dbraw/zinc/05/09/82/824050982.db2.gz IJQNHGZYNPBVOZ-JOCHJYFZSA-N 1 0 389.499 4.419 20 0 GIADRO Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2NCc2csc(-c3ccsc3)n2)cc1F ZINC000414928398 824051353 /nfs/dbraw/zinc/05/13/53/824051353.db2.gz BAUSVFUIOPJLAQ-YJBOKZPZSA-N 1 0 391.512 4.385 20 0 GIADRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)cc1 ZINC000414936365 824051966 /nfs/dbraw/zinc/05/19/66/824051966.db2.gz ZGEFJIQDKAUGAT-HXUWFJFHSA-N 1 0 396.535 4.160 20 0 GIADRO CCC(CC)(CN[C@@H](c1nc[nH]n1)c1ccccc1)[NH2+][C@@H](C)c1ccccc1 ZINC000576023557 824051943 /nfs/dbraw/zinc/05/19/43/824051943.db2.gz VJWGQXDQFVYQOL-GHTZIAJQSA-N 1 0 377.536 4.393 20 0 GIADRO O=C(NCc1ccc(F)cc1)C1CC[NH+](CCSCc2ccccc2)CC1 ZINC000192637039 824052692 /nfs/dbraw/zinc/05/26/92/824052692.db2.gz WPFRMETVVNWOBR-UHFFFAOYSA-N 1 0 386.536 4.087 20 0 GIADRO C[C@@H]([NH3+])c1ccc(NC(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)cc1 ZINC000414946119 824052959 /nfs/dbraw/zinc/05/29/59/824052959.db2.gz SPXSPSAPWYKOHR-JKSUJKDBSA-N 1 0 380.492 4.365 20 0 GIADRO Fc1ccc([C@H]2CC[NH2+]C[C@H]2NCc2cnc(-c3ccsc3)s2)cc1F ZINC000414948353 824053157 /nfs/dbraw/zinc/05/31/57/824053157.db2.gz MDAPAWMGPWCWQT-CRAIPNDOSA-N 1 0 391.512 4.385 20 0 GIADRO C[C@H](c1cccc(F)c1)[NH+]1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1 ZINC000171065463 824053625 /nfs/dbraw/zinc/05/36/25/824053625.db2.gz NLMRAXVINIHTEV-HUUCEWRRSA-N 1 0 396.462 4.201 20 0 GIADRO C[C@@H](c1cccc(F)c1)[NH+]1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)CC1 ZINC000171065457 824053790 /nfs/dbraw/zinc/05/37/90/824053790.db2.gz NLMRAXVINIHTEV-GJZGRUSLSA-N 1 0 396.462 4.201 20 0 GIADRO Cc1ccccc1NC(=O)[C@H](C)N1CCC(c2noc3cc(F)ccc32)CC1 ZINC000576031868 824053911 /nfs/dbraw/zinc/05/39/11/824053911.db2.gz SKPJULVAWSKFOH-HNNXBMFYSA-N 1 0 381.451 4.482 20 0 GIADRO CCc1ccccc1NC(=O)[C@H](C)[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000576031543 824053978 /nfs/dbraw/zinc/05/39/78/824053978.db2.gz BWFFRGMVKVCIDG-ONGXBYRLSA-N 1 0 385.939 4.264 20 0 GIADRO CCOc1cc(C[NH2+]Cc2cc(C)cc(N)c2)cc(Br)c1OC ZINC000414958390 824053924 /nfs/dbraw/zinc/05/39/24/824053924.db2.gz CVISMITXYRPSAZ-UHFFFAOYSA-N 1 0 379.298 4.037 20 0 GIADRO C[C@@H]1CCCN(C(=O)Nc2ccc(Br)cc2C(F)(F)F)[C@@H]1C[NH3+] ZINC000414966390 824055192 /nfs/dbraw/zinc/05/51/92/824055192.db2.gz BQVYPFLNWUFWKE-NOZJJQNGSA-N 1 0 394.235 4.059 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1)[NH+]1CCCC1 ZINC000018186113 210216676 /nfs/dbraw/zinc/21/66/76/210216676.db2.gz GJTKUGNINPCGIM-SFHVURJKSA-N 1 0 392.421 4.281 20 0 GIADRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1oc2ccccc2c1C ZINC000014651162 210122770 /nfs/dbraw/zinc/12/27/70/210122770.db2.gz DANYSHOJDHGJNJ-UHFFFAOYSA-N 1 0 390.487 4.107 20 0 GIADRO O=C(c1cc(-c2ccco2)nc2ccccc21)N1CCC([NH+]2CCCC2)CC1 ZINC000066139240 209217673 /nfs/dbraw/zinc/21/76/73/209217673.db2.gz FEKLLMFIXFXXCM-UHFFFAOYSA-N 1 0 375.472 4.195 20 0 GIADRO Cc1ccncc1C[NH+]1CCC2(C[C@@H]2c2nnc(-c3cccc(F)c3)o2)CC1 ZINC000359878124 209198329 /nfs/dbraw/zinc/19/83/29/209198329.db2.gz XSFAKURCVQVDSO-LJQANCHMSA-N 1 0 378.451 4.349 20 0 GIADRO Cc1ncc(CN2CC[C@@H]([NH2+]Cc3cc(F)cc4cccnc43)[C@@H](C)C2)s1 ZINC000359865944 209198211 /nfs/dbraw/zinc/19/82/11/209198211.db2.gz FEQRTASVAKEUIL-VBKZILBWSA-N 1 0 384.524 4.139 20 0 GIADRO FC(F)(c1cnc(Cl)c(C2CCCCC2)c1)N1CCO[C@@H]2C[NH2+]CC[C@H]2C1 ZINC001164408904 718865735 /nfs/dbraw/zinc/86/57/35/718865735.db2.gz NXPGNDAMIJPAMI-MAUKXSAKSA-N 1 0 399.913 4.142 20 0 GIADRO FC(F)(c1ccc2nc(Cl)cnc2c1)N1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001164417440 718891746 /nfs/dbraw/zinc/89/17/46/718891746.db2.gz JZPKBUMZYRSOAL-KRWDZBQOSA-N 1 0 380.870 4.187 20 0 GIADRO CSc1ccc(C(F)(F)N2CCCC[C@@H]2C2CC[NH2+]CC2)nc1Cl ZINC001164421874 718892374 /nfs/dbraw/zinc/89/23/74/718892374.db2.gz YVBXDZYDIYPNRF-CYBMUJFWSA-N 1 0 375.916 4.360 20 0 GIADRO FC(F)(c1cccc2c(Cl)ncnc21)N1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001164417454 718893088 /nfs/dbraw/zinc/89/30/88/718893088.db2.gz KKXLVMSFFHLZNO-INIZCTEOSA-N 1 0 380.870 4.187 20 0 GIADRO [NH3+][C@@]12C[C@@H]1CCN(C(F)(F)c1nc3cc(Cl)c(Cl)cc3nc1Cl)C2 ZINC001164422574 718895639 /nfs/dbraw/zinc/89/56/39/718895639.db2.gz WQLHLCKVPZVYLJ-JKYUHCHBSA-N 1 0 393.652 4.062 20 0 GIADRO FC(F)(F)c1nc(Cl)ccc1C(F)(F)N1CCCCC12CC[NH2+]CC2 ZINC001164421939 718912063 /nfs/dbraw/zinc/91/20/63/718912063.db2.gz WFKPKEWETJVMDG-UHFFFAOYSA-N 1 0 383.792 4.411 20 0 GIADRO Cc1cc(C(F)(F)N2CC[C@@]3(C[NH2+]C[C@H]3c3ccccc3)C2)cc(Cl)n1 ZINC001164620655 719043408 /nfs/dbraw/zinc/04/34/08/719043408.db2.gz GKSHSOSFRBBRFA-PKOBYXMFSA-N 1 0 377.866 4.172 20 0 GIADRO Clc1ccc2ncnc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)c2c1 ZINC001164620498 719064326 /nfs/dbraw/zinc/06/43/26/719064326.db2.gz FNMYZPCGEFPAII-UWJYYQICSA-N 1 0 378.907 4.384 20 0 GIADRO Clc1cccc2c1ncnc2N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164629775 719064924 /nfs/dbraw/zinc/06/49/24/719064924.db2.gz YYYQOWDOQMXAGO-XLIONFOSSA-N 1 0 378.907 4.384 20 0 GIADRO Clc1ncnc2scc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)c21 ZINC001164626523 719072094 /nfs/dbraw/zinc/07/20/94/719072094.db2.gz OFAMUSDOILYRPV-HOTGVXAUSA-N 1 0 384.936 4.446 20 0 GIADRO Clc1cnc2nc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)ccc2c1 ZINC001164620409 719074804 /nfs/dbraw/zinc/07/48/04/719074804.db2.gz DTSRKVOFHKLQIT-AZUAARDMSA-N 1 0 378.907 4.384 20 0 GIADRO Cc1nc2c(nc(Cl)nc2N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)s1 ZINC001164622803 719081948 /nfs/dbraw/zinc/08/19/48/719081948.db2.gz IUWJXSDGZHTWMW-HZPDHXFCSA-N 1 0 399.951 4.149 20 0 GIADRO Fc1cnc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1-c1ccsc1 ZINC001164622761 719111218 /nfs/dbraw/zinc/11/12/18/719111218.db2.gz CKZZHRLEVIKZHR-FXAWDEMLSA-N 1 0 394.519 4.445 20 0 GIADRO [NH3+]C1([C@H]2CN(C(F)(F)c3ccc(-c4ccnc(Cl)c4)cc3)C[C@H]2CF)CC1 ZINC001164624283 719117255 /nfs/dbraw/zinc/11/72/55/719117255.db2.gz FCRFFUJRWGUIEI-WBVHZDCISA-N 1 0 395.856 4.460 20 0 GIADRO [NH3+]C1([C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccco4)c3)C[C@H]2CF)CC1 ZINC001164619550 719126948 /nfs/dbraw/zinc/12/69/48/719126948.db2.gz FCHWBKWBVLJUBV-RISCZKNCSA-N 1 0 385.817 4.053 20 0 GIADRO CC(C)C[NH+]1CCN(C(F)(F)c2cc(-c3ccccc3)nnc2Cl)CC1 ZINC001164657448 719337790 /nfs/dbraw/zinc/33/77/90/719337790.db2.gz MMOFQKAXWSMYOZ-UHFFFAOYSA-N 1 0 380.870 4.120 20 0 GIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(C)c(Cl)cn2)CC3)cs1 ZINC001164692949 719805903 /nfs/dbraw/zinc/80/59/03/719805903.db2.gz OHQFDWZSHGWCKJ-UHFFFAOYSA-N 1 0 376.957 4.443 20 0 GIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nncc4ccc(F)cc42)CC3)cs1 ZINC001164692520 719809460 /nfs/dbraw/zinc/80/94/60/719809460.db2.gz ISKXVOZYIZSDFY-UHFFFAOYSA-N 1 0 397.523 4.169 20 0 GIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nccc4scnc42)CC3)cs1 ZINC001164694077 719809519 /nfs/dbraw/zinc/80/95/19/719809519.db2.gz UNYWBSHSGLHKCN-UHFFFAOYSA-N 1 0 385.562 4.091 20 0 GIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(C)nc(C(C)(C)C)n2)CC3)cs1 ZINC001164691182 719814687 /nfs/dbraw/zinc/81/46/87/719814687.db2.gz AIRSNLJJIVQWDW-UHFFFAOYSA-N 1 0 399.608 4.482 20 0 GIADRO Clc1cc(Cl)nc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1 ZINC001164697078 719886556 /nfs/dbraw/zinc/88/65/56/719886556.db2.gz BOJIZNBCKOJEGO-UHFFFAOYSA-N 1 0 398.359 4.321 20 0 GIADRO Clc1ccc(Cl)c(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164694747 719890337 /nfs/dbraw/zinc/89/03/37/719890337.db2.gz DWZUVBCPHHXLOV-UHFFFAOYSA-N 1 0 398.359 4.321 20 0 GIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc3c(Cl)cccc3n1)C2 ZINC001164814942 720110891 /nfs/dbraw/zinc/11/08/91/720110891.db2.gz UPOTUNLZANESNJ-JTSKRJEESA-N 1 0 385.939 4.073 20 0 GIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)cc3ccc(C)cc31)C2 ZINC001164814385 720144204 /nfs/dbraw/zinc/14/42/04/720144204.db2.gz SDLUXIDKCOFLJA-XXBNENTESA-N 1 0 399.966 4.381 20 0 GIADRO Cc1cc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)nc2cc(Cl)ccc12 ZINC001164728929 720406653 /nfs/dbraw/zinc/40/66/53/720406653.db2.gz UIMNXLYIFLXLLQ-LEWJYISDSA-N 1 0 378.907 4.445 20 0 GIADRO Cc1ccc(C)c(-c2ccc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)nn2)c1 ZINC001164729349 720450460 /nfs/dbraw/zinc/45/04/60/720450460.db2.gz HDJQKCHRYOJEAU-PKTZIBPZSA-N 1 0 385.515 4.009 20 0 GIADRO Clc1cc(C2CCCCC2)nc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164724450 720475423 /nfs/dbraw/zinc/47/54/23/720475423.db2.gz GHFBZQGHIKIJNK-WOJBJXKFSA-N 1 0 397.954 4.426 20 0 GIADRO Cc1ccc2nc(Cl)cc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)c2c1 ZINC001164733747 720559396 /nfs/dbraw/zinc/55/93/96/720559396.db2.gz RETFNZVPPYINQT-UHFFFAOYSA-N 1 0 395.938 4.052 20 0 GIADRO Cc1cc2ccccc2c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164838603 720572110 /nfs/dbraw/zinc/57/21/10/720572110.db2.gz OSAYRQLUZPEILX-QZNHQXDQSA-N 1 0 389.547 4.118 20 0 GIADRO Cc1cc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)nc2c(Cl)cccc12 ZINC001164737025 720575919 /nfs/dbraw/zinc/57/59/19/720575919.db2.gz ZAXAGJUVFIQQNP-UHFFFAOYSA-N 1 0 395.938 4.052 20 0 GIADRO Cc1nc(C(C)C)cc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164840489 720663583 /nfs/dbraw/zinc/66/35/83/720663583.db2.gz MUIKRFARLZWNEQ-OAQYLSRUSA-N 1 0 394.563 4.168 20 0 GIADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nccc3ccoc31)CC2 ZINC001164842548 720668979 /nfs/dbraw/zinc/66/89/79/720668979.db2.gz RXPJLEZTEDQDOS-HXUWFJFHSA-N 1 0 377.488 4.088 20 0 GIADRO Cc1nc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)ccc1Cl ZINC001164840987 720683517 /nfs/dbraw/zinc/68/35/17/720683517.db2.gz GTUYLMUUTZXPAR-LJQANCHMSA-N 1 0 385.939 4.303 20 0 GIADRO Cc1cc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc2[nH]ccc21 ZINC001164842706 720700679 /nfs/dbraw/zinc/70/06/79/720700679.db2.gz MUVUSSYMDFKADC-FQEVSTJZSA-N 1 0 390.531 4.131 20 0 GIADRO CSc1ccnc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164839619 720713032 /nfs/dbraw/zinc/71/30/32/720713032.db2.gz MEQZSGPGFZGPLE-LJQANCHMSA-N 1 0 383.561 4.063 20 0 GIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@]3(CCC(=O)N3)[C@@H]2CC)nc1 ZINC001164849007 720757914 /nfs/dbraw/zinc/75/79/14/720757914.db2.gz RUKIRKLQLRMPBZ-ZRCGQRJVSA-N 1 0 384.568 4.046 20 0 GIADRO COc1ccc2nc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@@H]3C)c(C)cc2c1 ZINC001164855075 720919234 /nfs/dbraw/zinc/91/92/34/720919234.db2.gz HOHGKFAUHXGNOT-KRWDZBQOSA-N 1 0 393.535 4.170 20 0 GIADRO Cc1ccc(C[NH+]2CCC3(CCN(c4cnc5cccnc5n4)CC3)CC2)cc1 ZINC001164759592 721044150 /nfs/dbraw/zinc/04/41/50/721044150.db2.gz PDKQTDWBUZHHLI-UHFFFAOYSA-N 1 0 387.531 4.216 20 0 GIADRO Fc1ccc(-c2nc3ccccc3c(N3CC4(C3)CC[N@H+](CC3CC3)C4)n2)cc1 ZINC001164768848 721297992 /nfs/dbraw/zinc/29/79/92/721297992.db2.gz IDNGMODLUSEHBB-UHFFFAOYSA-N 1 0 388.490 4.358 20 0 GIADRO Cc1ccc2c(c1)nc(Cl)cc2N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164786235 721414789 /nfs/dbraw/zinc/41/47/89/721414789.db2.gz OHAWGQGJBPBZLF-HUUCEWRRSA-N 1 0 384.936 4.221 20 0 GIADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncnc3ccc(F)cc31)CC2 ZINC001164793219 721490976 /nfs/dbraw/zinc/49/09/76/721490976.db2.gz PZGATNBRCWSWCP-UHFFFAOYSA-N 1 0 391.494 4.045 20 0 GIADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cnc(-c3ccco3)cn1)CC2 ZINC001164792985 721493755 /nfs/dbraw/zinc/49/37/55/721493755.db2.gz XHCXBBKVCKVGSW-UHFFFAOYSA-N 1 0 389.503 4.013 20 0 GIADRO Cc1nc(C)c(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c(Cl)n1 ZINC001164792531 721493775 /nfs/dbraw/zinc/49/37/75/721493775.db2.gz QGCAGGKEDCBUBN-UHFFFAOYSA-N 1 0 385.943 4.023 20 0 GIADRO CSc1cnc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c(C)c1 ZINC001165028980 721821488 /nfs/dbraw/zinc/82/14/88/721821488.db2.gz WCCVDYVWUSASRT-YYWHXJBOSA-N 1 0 382.577 4.244 20 0 GIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(-c4ccncc4)cn3)C[C@H]21 ZINC001165023169 721822721 /nfs/dbraw/zinc/82/27/21/721822721.db2.gz HXULKUQBXKLULK-GMKZXUHWSA-N 1 0 399.542 4.276 20 0 GIADRO CC(C)Sc1ccc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nn1 ZINC001165026203 721827092 /nfs/dbraw/zinc/82/70/92/721827092.db2.gz OHLIEEBYVZPPBD-IHPCNDPISA-N 1 0 397.592 4.109 20 0 GIADRO C[NH+](C)[C@@H]1CCCN(C(F)(F)c2nc(Cl)c3cc(Cl)ccc3n2)C1 ZINC001165035728 721887731 /nfs/dbraw/zinc/88/77/31/721887731.db2.gz PJZFNMCUVWCPBI-LLVKDONJSA-N 1 0 375.250 4.012 20 0 GIADRO C[NH+](C)[C@H]1CCCN(C(F)(F)c2cccc3c(Cl)nc(Cl)nc32)C1 ZINC001165040455 721892393 /nfs/dbraw/zinc/89/23/93/721892393.db2.gz WPJKQLAKSWAKHD-JTQLQIEISA-N 1 0 375.250 4.012 20 0 GIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(Cl)cc(C)n4)CC3)C2)cc1 ZINC001164938314 721921152 /nfs/dbraw/zinc/92/11/52/721921152.db2.gz LILZQQUOLKHUNI-UHFFFAOYSA-N 1 0 385.939 4.223 20 0 GIADRO CN(CC1CC[NH+](C)CC1)c1cnc(Cl)nc1Oc1ccc(Cl)cc1 ZINC001165045315 721938824 /nfs/dbraw/zinc/93/88/24/721938824.db2.gz YQMQKMHTLLGPBN-UHFFFAOYSA-N 1 0 381.307 4.354 20 0 GIADRO C[NH+](C)CC1CCN(C(F)(F)c2ccc(-c3cc(Cl)ncn3)cc2)CC1 ZINC001165043355 721944112 /nfs/dbraw/zinc/94/41/12/721944112.db2.gz ZTMQFCJIUAMMKV-UHFFFAOYSA-N 1 0 380.870 4.120 20 0 GIADRO FC(F)(c1cc(Cl)nc(Cl)n1)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001165048181 721965668 /nfs/dbraw/zinc/96/56/68/721965668.db2.gz XKUXGAAQIOHGAQ-GFCCVEGCSA-N 1 0 379.282 4.173 20 0 GIADRO CCOC(=O)c1c(C)cc(Cl)nc1N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001165047096 721968455 /nfs/dbraw/zinc/96/84/55/721968455.db2.gz IOHGPNRESYNTKF-INIZCTEOSA-N 1 0 379.932 4.065 20 0 GIADRO CC(C)(C)c1noc(-c2ccnc(N3CCCC[C@H]3CC[NH+]3CCCC3)c2)n1 ZINC001165048022 721974097 /nfs/dbraw/zinc/97/40/97/721974097.db2.gz ICSHIGKKFARAMN-SFHVURJKSA-N 1 0 383.540 4.274 20 0 GIADRO Clc1nc2c(Cl)nccc2c(N2CCCC[C@H]2CC[NH+]2CCCC2)n1 ZINC001165049091 721974911 /nfs/dbraw/zinc/97/49/11/721974911.db2.gz MYKCYMQLICJRDT-ZDUSSCGKSA-N 1 0 380.323 4.176 20 0 GIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N(CCC(=O)OC)Cc2ccco2)nc1 ZINC001165047215 721982990 /nfs/dbraw/zinc/98/29/90/721982990.db2.gz JEXLAECNLGDDPH-HXUWFJFHSA-N 1 0 385.508 4.181 20 0 GIADRO Clc1ccnc2cnc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)cc12 ZINC001164955300 722019227 /nfs/dbraw/zinc/01/92/27/722019227.db2.gz DYZPUURMTHPWQG-UHFFFAOYSA-N 1 0 393.922 4.171 20 0 GIADRO CCc1nc2sccc2c(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164959088 722023538 /nfs/dbraw/zinc/02/35/38/722023538.db2.gz HXQDFFAJZQHXKS-UHFFFAOYSA-N 1 0 393.560 4.141 20 0 GIADRO c1cc(N2CCC[C@@]3(C[C@@H](OCC4CCCC4)CO3)C2)ncc1C[NH+]1CCCC1 ZINC001164973493 722165682 /nfs/dbraw/zinc/16/56/82/722165682.db2.gz BNQZKWYQQQKNJW-ISKFKSNPSA-N 1 0 399.579 4.012 20 0 GIADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2nc(Cl)nc4cccnc42)C3)c1 ZINC001164992828 722195865 /nfs/dbraw/zinc/19/58/65/722195865.db2.gz BCACTZYHXRULAG-OAQYLSRUSA-N 1 0 397.885 4.062 20 0 GIADRO Cn1ccc2c1nc(Cl)nc2N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164993199 722197047 /nfs/dbraw/zinc/19/70/47/722197047.db2.gz CJYJJHPNIJJNJH-NRFANRHFSA-N 1 0 399.901 4.006 20 0 GIADRO c1ccc(CC(Cc2ccccc2)C[N@@H+]2CCCN(c3cccnn3)CC2)cc1 ZINC000570490853 823045576 /nfs/dbraw/zinc/04/55/76/823045576.db2.gz INHIRAYBNIRGIC-UHFFFAOYSA-N 1 0 386.543 4.090 20 0 GIADRO C[C@H](c1ccccc1)[C@H](C)NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458492982 823047145 /nfs/dbraw/zinc/04/71/45/823047145.db2.gz NEDWKTUAFZLWMR-HOTGVXAUSA-N 1 0 385.474 4.237 20 0 GIADRO Cc1nc2ccccc2n1C1CC[NH+](CCc2nc(-c3ccccc3)no2)CC1 ZINC000570497924 823046656 /nfs/dbraw/zinc/04/66/56/823046656.db2.gz BHEKPCZDVFHCKQ-UHFFFAOYSA-N 1 0 387.487 4.274 20 0 GIADRO Cc1[nH]c(=O)c(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc1-c1ccccc1 ZINC000570501744 823047213 /nfs/dbraw/zinc/04/72/13/823047213.db2.gz CCCFAZMVVISFLY-INIZCTEOSA-N 1 0 381.520 4.003 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)NC[C@H]1CCCC[C@H]1C(F)(F)F ZINC000458494388 823047381 /nfs/dbraw/zinc/04/73/81/823047381.db2.gz GIHCLOXJTVDQIM-HZPDHXFCSA-N 1 0 391.503 4.190 20 0 GIADRO COc1ccc(-c2ccc(CNC(=O)NC(C)(C)CCC[NH+](C)C)s2)cc1 ZINC000458496227 823047701 /nfs/dbraw/zinc/04/77/01/823047701.db2.gz PPLAAXYUTURLMB-UHFFFAOYSA-N 1 0 389.565 4.343 20 0 GIADRO CCN(C(=O)C1CCN(c2cc[nH+]cc2C)CC1)c1ccc(Cl)cc1F ZINC000570509451 823048016 /nfs/dbraw/zinc/04/80/16/823048016.db2.gz YOWQEHXJRKTDSM-UHFFFAOYSA-N 1 0 375.875 4.452 20 0 GIADRO CCS[C@@H]1CCC[C@H](NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000458499877 823048114 /nfs/dbraw/zinc/04/81/14/823048114.db2.gz IMJLUDSIOQCSLD-GOEBONIOSA-N 1 0 395.535 4.109 20 0 GIADRO O[C@H](C[NH2+][C@H]1CCO[C@@H](c2ccc(F)cc2)C1)COc1ccc2ccccc2c1 ZINC000570509866 823048180 /nfs/dbraw/zinc/04/81/80/823048180.db2.gz IWPGXRIDLSGLQR-WMTXJRDZSA-N 1 0 395.474 4.229 20 0 GIADRO C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000570515128 823048527 /nfs/dbraw/zinc/04/85/27/823048527.db2.gz GFXPSQACRWKTSY-QAPCUYQASA-N 1 0 379.504 4.173 20 0 GIADRO OC[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1cccc(Cl)c1F ZINC000570514909 823048583 /nfs/dbraw/zinc/04/85/83/823048583.db2.gz XTWWEIIPHVXUKF-PXNSSMCTSA-N 1 0 388.914 4.299 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC1CCC(C(F)F)CC1 ZINC000458509485 823048916 /nfs/dbraw/zinc/04/89/16/823048916.db2.gz PLYNOJMJZDSJBJ-RXQRSOPUSA-N 1 0 379.495 4.020 20 0 GIADRO CCN(Cc1[nH+]c(C(C)C)n2ccccc12)Cc1nc2ccccc2c(=O)[nH]1 ZINC000570519949 823049084 /nfs/dbraw/zinc/04/90/84/823049084.db2.gz KWRXOURLYKDYBK-UHFFFAOYSA-N 1 0 375.476 4.129 20 0 GIADRO C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](Sc3ccc(F)cc3)c3ccccc3)C2)C1 ZINC000570522301 823049451 /nfs/dbraw/zinc/04/94/51/823049451.db2.gz ZHEPKRWGKQZDGJ-UNMCSNQZSA-N 1 0 384.520 4.213 20 0 GIADRO Cc1cc([C@H]([NH2+][C@@H]2CCC[C@@H](N3CCCC3=O)C2)c2cccnc2)ccc1F ZINC000570528679 823050161 /nfs/dbraw/zinc/05/01/61/823050161.db2.gz IHGFMKNDLWHXBA-VIZSFHNOSA-N 1 0 381.495 4.142 20 0 GIADRO CC(C)[C@@H]([NH2+][C@@H](C)C1CCS(=O)(=O)CC1)c1ccc(C(F)(F)F)cc1 ZINC000187386858 823053962 /nfs/dbraw/zinc/05/39/62/823053962.db2.gz YDLLZOLEHQNBGJ-SUMWQHHRSA-N 1 0 377.472 4.205 20 0 GIADRO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)N1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000458524528 823050719 /nfs/dbraw/zinc/05/07/19/823050719.db2.gz ZRFUHGYDOGFECM-ZNMIVQPWSA-N 1 0 375.479 4.154 20 0 GIADRO [NH3+]C1(CNC(=O)Nc2cccc(Oc3ccncc3)c2)C2CC3CC(C2)CC1C3 ZINC000570542692 823051859 /nfs/dbraw/zinc/05/18/59/823051859.db2.gz WOGMCEXPJWMLSH-UHFFFAOYSA-N 1 0 392.503 4.149 20 0 GIADRO Cc1sc([C@H](C)NC(=O)NCC[C@H]2CCC[NH2+]2)nc1-c1ccc(Cl)cc1 ZINC000570549386 823052625 /nfs/dbraw/zinc/05/26/25/823052625.db2.gz VHTWATMXJZTJLJ-BLLLJJGKSA-N 1 0 392.956 4.274 20 0 GIADRO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1nc(C(C)C)ncc1Cl ZINC000120723864 823052746 /nfs/dbraw/zinc/05/27/46/823052746.db2.gz IYFJMNPXOUSBCQ-QAPCUYQASA-N 1 0 384.911 4.010 20 0 GIADRO COc1ccc(OC(F)F)c(C[NH+]2CCC(CCCn3ccnc3)CC2)c1 ZINC000570551522 823053161 /nfs/dbraw/zinc/05/31/61/823053161.db2.gz GBHHLMNAISRWQP-UHFFFAOYSA-N 1 0 379.451 4.186 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(NS(=O)(=O)c2ccc(C(F)F)cc2)CC1 ZINC000570554214 823053639 /nfs/dbraw/zinc/05/36/39/823053639.db2.gz LBMIHUSZFJKKLI-OAHLLOKOSA-N 1 0 394.487 4.128 20 0 GIADRO C[C@H](C[NH2+]Cc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1)Cc1ccccc1 ZINC000570559248 823054711 /nfs/dbraw/zinc/05/47/11/823054711.db2.gz CXCPPCUDFQNVDN-SFHVURJKSA-N 1 0 391.515 4.024 20 0 GIADRO O[C@@H](C[NH+]1CCC(OCc2ccc(F)cc2)CC1)c1ccc(F)cc1Cl ZINC000187393871 823055030 /nfs/dbraw/zinc/05/50/30/823055030.db2.gz IRPZBSNCNXETQM-FQEVSTJZSA-N 1 0 381.850 4.333 20 0 GIADRO Cc1csc([C@H](NC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)C2CC2)n1 ZINC000175851707 823055602 /nfs/dbraw/zinc/05/56/02/823055602.db2.gz HZDJCXPSYTWNPV-IEBWSBKVSA-N 1 0 390.597 4.200 20 0 GIADRO Cc1csc([C@H](NC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)C2CC2)n1 ZINC000175851749 823055650 /nfs/dbraw/zinc/05/56/50/823055650.db2.gz HZDJCXPSYTWNPV-PKOBYXMFSA-N 1 0 390.597 4.200 20 0 GIADRO C[NH2+]CCC1CCN(C(=O)CCCc2ccc3c(c2)-c2ccccc2C3)CC1 ZINC000570570164 823055852 /nfs/dbraw/zinc/05/58/52/823055852.db2.gz RFTJABNUMDAMRP-UHFFFAOYSA-N 1 0 376.544 4.429 20 0 GIADRO Cc1ccc(Cl)c(NC(=O)N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000120760242 823058603 /nfs/dbraw/zinc/05/86/03/823058603.db2.gz ZBDKIBZIDFORSA-IYBDPMFKSA-N 1 0 379.932 4.002 20 0 GIADRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1cnccc1C(F)(F)F ZINC000570579278 823056767 /nfs/dbraw/zinc/05/67/67/823056767.db2.gz HAXZFLUDUTZKSW-UHFFFAOYSA-N 1 0 395.450 4.210 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000120751991 823057054 /nfs/dbraw/zinc/05/70/54/823057054.db2.gz OUKROKFPLGYDOZ-FCHUYYIVSA-N 1 0 398.934 4.287 20 0 GIADRO CC1CC[NH+](C2CCC(NC(=O)N3CC(C)(C)[C@@H]3c3ccncc3)CC2)CC1 ZINC000458566282 823057139 /nfs/dbraw/zinc/05/71/39/823057139.db2.gz JIRANRGJUDLXQN-CBNMVNINSA-N 1 0 384.568 4.217 20 0 GIADRO Cc1cc2c(cc1C)[C@H]([NH2+][C@@H](C)Cn1ncc3ccccc3c1=O)CCS2 ZINC000187409671 823058024 /nfs/dbraw/zinc/05/80/24/823058024.db2.gz XPQWPOALIDAUIS-OXJNMPFZSA-N 1 0 379.529 4.229 20 0 GIADRO Fc1cccc([C@H](C[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)N2CCOCC2)c1 ZINC000570599831 823060014 /nfs/dbraw/zinc/06/00/14/823060014.db2.gz LWROYKDHFLYADS-GOTSBHOMSA-N 1 0 393.506 4.348 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc2scnc2c1 ZINC000175871740 823060400 /nfs/dbraw/zinc/06/04/00/823060400.db2.gz CNNHRIBZDWZGDA-KRWDZBQOSA-N 1 0 380.517 4.282 20 0 GIADRO COc1cc(-c2nnc(C[NH2+][C@H]3CCC(C)(C)C[C@@H]3C)o2)cc(OC)c1OC ZINC000120777047 823061821 /nfs/dbraw/zinc/06/18/21/823061821.db2.gz BFMNHRCDUOEIKB-ZFWWWQNUSA-N 1 0 389.496 4.067 20 0 GIADRO 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 823062939 /nfs/dbraw/zinc/06/29/39/823062939.db2.gz CLDVTBINEAIUPN-VQIMIIECSA-N 1 0 388.556 4.174 20 0 GIADRO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)N1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000458616570 823064295 /nfs/dbraw/zinc/06/42/95/823064295.db2.gz SEZGPXSVNBYYPR-ZMSDIMECSA-N 1 0 398.473 4.059 20 0 GIADRO Cc1cccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1Br ZINC000120792310 823065159 /nfs/dbraw/zinc/06/51/59/823065159.db2.gz CRIWAXZOLVGTKD-PBHICJAKSA-N 1 0 392.341 4.238 20 0 GIADRO C[C@@H](C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1)c1ccc(Cl)s1 ZINC000175892517 823065196 /nfs/dbraw/zinc/06/51/96/823065196.db2.gz MVCIYMKHUOZVQQ-GFCCVEGCSA-N 1 0 379.913 4.034 20 0 GIADRO Cc1cccnc1[C@@H]([NH2+]CC(=O)Nc1nc(-c2ccccc2)cs1)C(C)C ZINC000120792866 823065370 /nfs/dbraw/zinc/06/53/70/823065370.db2.gz XAJPWTNXBBVDBW-IBGZPJMESA-N 1 0 380.517 4.439 20 0 GIADRO O=C(Nc1ccccc1)c1cccc(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)c1 ZINC000570638988 823065496 /nfs/dbraw/zinc/06/54/96/823065496.db2.gz OJGGGBNHTQTGHJ-UHFFFAOYSA-N 1 0 391.515 4.029 20 0 GIADRO C[C@@H](N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1cccc(N2CCOC2=O)c1 ZINC000120795618 823065757 /nfs/dbraw/zinc/06/57/57/823065757.db2.gz QKZOGXJBLKYVNS-GCJKJVERSA-N 1 0 379.504 4.131 20 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ZINC000570661042 823068126 /nfs/dbraw/zinc/06/81/26/823068126.db2.gz UORNSSLHVGUBQT-PDIWNELESA-N 1 0 378.516 4.187 20 0 GIADRO CC(C)(C)CC[NH+]1CCN(CC(=O)Nc2ccccc2Cc2ccccc2)CC1 ZINC000055936235 823068329 /nfs/dbraw/zinc/06/83/29/823068329.db2.gz PUJREYIHZQGGFA-UHFFFAOYSA-N 1 0 393.575 4.270 20 0 GIADRO CCC1(CNC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)CCCCC1 ZINC000458666273 823071925 /nfs/dbraw/zinc/07/19/25/823071925.db2.gz ZJWNOHHMVALPBG-UHFFFAOYSA-N 1 0 377.495 4.405 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1C[N@H+]1CCC=C(c2cn(C(C)C)nn2)CC1 ZINC000570660409 823068417 /nfs/dbraw/zinc/06/84/17/823068417.db2.gz QOGIWMICOQFPDL-UHFFFAOYSA-N 1 0 396.564 4.433 20 0 GIADRO CCOc1c(C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)c(C)nn1CC(C)C ZINC000120810240 823068738 /nfs/dbraw/zinc/06/87/38/823068738.db2.gz TUEFKYXESWPNBV-UHFFFAOYSA-N 1 0 398.551 4.097 20 0 GIADRO CCCOc1ccc([C@H](C)NC(=O)Nc2cccc3c2CC[NH2+]C3)cc1OC ZINC000570664076 823068893 /nfs/dbraw/zinc/06/88/93/823068893.db2.gz LIFLYRKLZBALKI-HNNXBMFYSA-N 1 0 383.492 4.012 20 0 GIADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Nc1ccc(C)c(OC)c1C ZINC000175916557 823072002 /nfs/dbraw/zinc/07/20/02/823072002.db2.gz JTGOIZGITJGVPG-UHFFFAOYSA-N 1 0 389.462 4.440 20 0 GIADRO CC(C)[C@H]([NH2+][C@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(F)cc1F ZINC000120812481 823069285 /nfs/dbraw/zinc/06/92/85/823069285.db2.gz LSUHTWVAQJCPTH-VLIAUNLRSA-N 1 0 396.503 4.263 20 0 GIADRO CC(C)[C@H]([NH2+][C@@H](C)c1ccc(NS(C)(=O)=O)cc1)c1ccc(F)cc1F ZINC000120825854 823072041 /nfs/dbraw/zinc/07/20/41/823072041.db2.gz OOWBPFWDMCBYSV-DJJJIMSYSA-N 1 0 382.476 4.384 20 0 GIADRO C[C@H](CC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1)c1cccnc1 ZINC000570676892 823070892 /nfs/dbraw/zinc/07/08/92/823070892.db2.gz NWVYRYIIPGBTPM-OAHLLOKOSA-N 1 0 387.911 4.340 20 0 GIADRO C[C@H](CCCc1cccnc1)NC(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000458661350 823071046 /nfs/dbraw/zinc/07/10/46/823071046.db2.gz DYAMASVTOYCKRD-VIZSFHNOSA-N 1 0 394.563 4.003 20 0 GIADRO Cc1ccnc(-c2cccc(NC(=O)NC[C@@H]([NH3+])c3ccc(C(C)C)cc3)c2)n1 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O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)c1cncc(Br)c1 ZINC000056041996 823081145 /nfs/dbraw/zinc/08/11/45/823081145.db2.gz NETUYVKEIJWDRB-UHFFFAOYSA-N 1 0 388.309 4.125 20 0 GIADRO C[C@@H]1CCC[C@H](CNC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)[C@@H]1C ZINC000458749577 823081194 /nfs/dbraw/zinc/08/11/94/823081194.db2.gz TUNPZFLPBDNJNT-BZUAXINKSA-N 1 0 377.495 4.117 20 0 GIADRO Cc1ccc(-c2cnc(CCC(=O)N3CC[NH+](CCC(C)(C)C)CC3)o2)cc1 ZINC000056043347 823081362 /nfs/dbraw/zinc/08/13/62/823081362.db2.gz SMWZIVHUKIIKLB-UHFFFAOYSA-N 1 0 383.536 4.163 20 0 GIADRO CCC[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(F)cc1F ZINC000120889889 823082467 /nfs/dbraw/zinc/08/24/67/823082467.db2.gz CGOHIJDARDSENQ-VBKZILBWSA-N 1 0 396.503 4.407 20 0 GIADRO CC[C@H](C)[NH2+][C@H](CNC(=O)N1CC[C@@H](C(F)(F)F)C[C@H]1C)c1ccco1 ZINC000458765322 823082643 /nfs/dbraw/zinc/08/26/43/823082643.db2.gz KMJWEGWMOCXFQC-GBJTYRQASA-N 1 0 375.435 4.081 20 0 GIADRO CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]Cc1cc(C)nc(N3CCCC3)c1)CCC2 ZINC000570763592 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CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000175989232 823089879 /nfs/dbraw/zinc/08/98/79/823089879.db2.gz KBGSNQLQEOGFAT-UEVCKROQSA-N 1 0 395.522 4.235 20 0 GIADRO CCC[N@H+](C)[C@H](CNC(=O)C[C@@H](C)n1nc(C)cc1C)c1ccc(Cl)cc1 ZINC000570808612 823089885 /nfs/dbraw/zinc/08/98/85/823089885.db2.gz UKVDJRWOTQVHRV-YLJYHZDGSA-N 1 0 390.959 4.304 20 0 GIADRO COc1cc(C[NH2+]CCc2ccc(OCC(F)(F)F)nc2)ccc1SC ZINC000187570117 823090071 /nfs/dbraw/zinc/09/00/71/823090071.db2.gz QCXJUGLZGZQITE-UHFFFAOYSA-N 1 0 386.439 4.086 20 0 GIADRO COc1cc(C)c([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc3ncccc32)cc1OC ZINC000056153828 823090337 /nfs/dbraw/zinc/09/03/37/823090337.db2.gz SVAHXYVWYQUIIX-HOTGVXAUSA-N 1 0 393.487 4.238 20 0 GIADRO COc1cc(C)c([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(Cl)cc2)cc1OC ZINC000056154164 823090725 /nfs/dbraw/zinc/09/07/25/823090725.db2.gz MHNXUCSHKQYPGF-ZIAGYGMSSA-N 1 0 376.884 4.343 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000458816334 823090997 /nfs/dbraw/zinc/09/09/97/823090997.db2.gz MVONSBDJFAAPPX-XUTJKUGGSA-N 1 0 396.510 4.025 20 0 GIADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CCN(Cc3ccccc3)CC2)c2ccccc21 ZINC000570818506 823091369 /nfs/dbraw/zinc/09/13/69/823091369.db2.gz CEBGDPWAQSEBEX-RPWUZVMVSA-N 1 0 392.543 4.422 20 0 GIADRO C[C@@H](Sc1ccnc2cc(Cl)ccc21)C(=O)NCCC1CC[NH+](C)CC1 ZINC000175996164 823091420 /nfs/dbraw/zinc/09/14/20/823091420.db2.gz XGARSGDEAUQOAX-CQSZACIVSA-N 1 0 391.968 4.217 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc(OC(C)C)c2)c1 ZINC000056156807 823091514 /nfs/dbraw/zinc/09/15/14/823091514.db2.gz XIQBVWQUVBGZAL-JKSUJKDBSA-N 1 0 383.492 4.110 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(Cl)c(Br)c2)[C@H](C)C1 ZINC000120949216 823091488 /nfs/dbraw/zinc/09/14/88/823091488.db2.gz PAOXVVHUIUJKAZ-IAQYHMDHSA-N 1 0 388.737 4.297 20 0 GIADRO C[N@H+](CC(=O)N[C@H](c1cccs1)c1ccccc1)C1CCC(F)(F)CC1 ZINC000570821312 823091593 /nfs/dbraw/zinc/09/15/93/823091593.db2.gz ZJBBSKDIVSNGSF-IBGZPJMESA-N 1 0 378.488 4.463 20 0 GIADRO CSc1ccc(CNc2ccc(C(=O)N(C)[C@@H]3CCC[N@H+](C)C3)cc2)s1 ZINC000570865068 823098199 /nfs/dbraw/zinc/09/81/99/823098199.db2.gz NQHJUXORPLPJCK-QGZVFWFLSA-N 1 0 389.590 4.248 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(OC(C)C)cc2)c1 ZINC000056163526 823093707 /nfs/dbraw/zinc/09/37/07/823093707.db2.gz MEKPPBFRHWJWGF-HZPDHXFCSA-N 1 0 383.492 4.110 20 0 GIADRO Cc1cc(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c(C)n1CC(F)(F)F ZINC000056168477 823094726 /nfs/dbraw/zinc/09/47/26/823094726.db2.gz SAUXQEQULMEELY-MAUKXSAKSA-N 1 0 393.453 4.233 20 0 GIADRO CC[NH+]1CCN(c2ccc(N[C@H](C)C(=O)Nc3ccc(C)c(F)c3)c(C)c2)CC1 ZINC000056170323 823094786 /nfs/dbraw/zinc/09/47/86/823094786.db2.gz RSJMGSBNVVGEDG-GOSISDBHSA-N 1 0 398.526 4.024 20 0 GIADRO CN(Cc1cc(Cl)cn1C)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000120968408 823094762 /nfs/dbraw/zinc/09/47/62/823094762.db2.gz VBLZTLHDGXADGF-UHFFFAOYSA-N 1 0 388.943 4.006 20 0 GIADRO 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393.531 4.206 20 0 GIADRO COc1cccc(COC[C@@H](O)C[N@H+](C)[C@@H](C)c2sc(C(C)C)nc2C)c1 ZINC000121068729 823112329 /nfs/dbraw/zinc/11/23/29/823112329.db2.gz KXJMIMDCIBDYED-WMZOPIPTSA-N 1 0 392.565 4.154 20 0 GIADRO CN(c1ccc(NC(=O)C/C=C/c2ccc(F)cc2)cc1)C1CC[NH+](C)CC1 ZINC000176074308 823113095 /nfs/dbraw/zinc/11/30/95/823113095.db2.gz VTUUFAIJCZZUGY-ONEGZZNKSA-N 1 0 381.495 4.398 20 0 GIADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc(C2CC2)nc2onc(CC(C)(C)C)c21 ZINC000121072469 823113133 /nfs/dbraw/zinc/11/31/33/823113133.db2.gz XJHWQOSSUVXSRI-LIRRHRJNSA-N 1 0 398.551 4.101 20 0 GIADRO CNC(=O)c1cccc(C[NH2+]C(C)(C)c2ccc(Br)c(C)c2)c1 ZINC000570975726 823114126 /nfs/dbraw/zinc/11/41/26/823114126.db2.gz IRNJYIAQNDPCJE-UHFFFAOYSA-N 1 0 375.310 4.142 20 0 GIADRO Cc1coc(-c2ccc(C)c(NC(=O)NCC[N@@H+](C)Cc3ccccc3)c2)n1 ZINC000121103326 823119218 /nfs/dbraw/zinc/11/92/18/823119218.db2.gz DALZISNCSYPZKR-UHFFFAOYSA-N 1 0 378.476 4.212 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2oc3ccc(CCC(C)=O)cc3c2C)C[C@H]1C 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CCRPTXSCEWGFHU-WMZOPIPTSA-N 1 0 392.565 4.154 20 0 GIADRO COCCOCc1ccc(C[NH2+]C2(c3ccc(Br)cc3)CC2)cc1 ZINC000571001319 823118312 /nfs/dbraw/zinc/11/83/12/823118312.db2.gz OWNXDEAEBBXOEO-UHFFFAOYSA-N 1 0 390.321 4.391 20 0 GIADRO CC(C)n1ncc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)c1C1CC1 ZINC000121101790 823118890 /nfs/dbraw/zinc/11/88/90/823118890.db2.gz NJECIYJHIJXDER-UHFFFAOYSA-N 1 0 380.536 4.257 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)Cc2ccccc2C(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000176100630 823120240 /nfs/dbraw/zinc/12/02/40/823120240.db2.gz MTBUHKRZZSEYOE-VQIMIIECSA-N 1 0 390.449 4.417 20 0 GIADRO C[C@H]1C[C@H](NC(=O)c2sccc2OC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000176100721 823120543 /nfs/dbraw/zinc/12/05/43/823120543.db2.gz YXAXXKRJWVBNAP-DZGCQCFKSA-N 1 0 380.460 4.132 20 0 GIADRO C[C@H](C[C@H](O)c1cccs1)[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000121110940 823120587 /nfs/dbraw/zinc/12/05/87/823120587.db2.gz POOFHXIBIYANDY-GJYPPUQNSA-N 1 0 385.533 4.223 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)c2sccc2Br)CC[N@@H+]1Cc1ccccc1 ZINC000176101462 823120819 /nfs/dbraw/zinc/12/08/19/823120819.db2.gz REAKNZJKVVFEEU-HIFRSBDPSA-N 1 0 393.350 4.294 20 0 GIADRO O=C(Nc1ccccc1-c1cc(F)c(F)c(F)c1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000176102346 823121160 /nfs/dbraw/zinc/12/11/60/823121160.db2.gz XCAYPTAUWLITKI-HNNXBMFYSA-N 1 0 387.405 4.249 20 0 GIADRO CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000459055949 823121228 /nfs/dbraw/zinc/12/12/28/823121228.db2.gz JSRTXJYSBAXMQE-AYHJJNSGSA-N 1 0 383.458 4.251 20 0 GIADRO Cc1cc(NC(=O)N2CCC[C@H]2c2ccc(C)c(C)c2)n(C2CC[NH+](C)CC2)n1 ZINC000571023134 823121628 /nfs/dbraw/zinc/12/16/28/823121628.db2.gz RPTPPNRZJGBVOR-NRFANRHFSA-N 1 0 395.551 4.444 20 0 GIADRO C[C@H]1C[C@@H](NC(=O)c2cc(-c3cccs3)on2)CC[N@@H+]1Cc1ccccc1 ZINC000176103278 823121674 /nfs/dbraw/zinc/12/16/74/823121674.db2.gz XXAPZOLOKVHQBK-RDJZCZTQSA-N 1 0 381.501 4.186 20 0 GIADRO CCO[C@H]1C[C@]([NH3+])(C(=O)Nc2ccc3nc(-c4ccc(F)cc4)oc3c2)C1(C)C 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C[NH+](C)C[C@H]1CCN(C(=O)Nc2ccc(Br)c(Cl)c2Cl)C1 ZINC000187786456 823132866 /nfs/dbraw/zinc/13/28/66/823132866.db2.gz SGYIEFZEUDDQCQ-SECBINFHSA-N 1 0 395.128 4.171 20 0 GIADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)N[C@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC000459140377 823133991 /nfs/dbraw/zinc/13/39/91/823133991.db2.gz NIUWLXYWIUMHQL-BEKAIBRUSA-N 1 0 377.960 4.348 20 0 GIADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)N[C@@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC000459140381 823134108 /nfs/dbraw/zinc/13/41/08/823134108.db2.gz NIUWLXYWIUMHQL-QOJCHSLYSA-N 1 0 377.960 4.348 20 0 GIADRO C[NH+]1CCC2(CCCN2C(=O)N[C@@H]2CC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000459142353 823134360 /nfs/dbraw/zinc/13/43/60/823134360.db2.gz OVGLBIVZCDJOKU-PKOBYXMFSA-N 1 0 375.944 4.246 20 0 GIADRO C[C@@H](c1cc(F)ccc1F)N(C)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000056360376 823136006 /nfs/dbraw/zinc/13/60/06/823136006.db2.gz IPOCMQBUBIZTPV-KSSFIOAISA-N 1 0 377.435 4.097 20 0 GIADRO CC[C@@H](NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)c1nc(C)cs1 ZINC000176151027 823136983 /nfs/dbraw/zinc/13/69/83/823136983.db2.gz OIBXZNXCOYYSBO-LJQANCHMSA-N 1 0 386.565 4.209 20 0 GIADRO O=C1C[C@H]([C@H]2CCCC[N@@H+]2CC(Cc2ccccc2)Cc2ccccc2)CN1 ZINC000571132048 823138200 /nfs/dbraw/zinc/13/82/00/823138200.db2.gz VEJWMWSTNHSING-BJKOFHAPSA-N 1 0 376.544 4.079 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCC(F)(F)[C@@H](C)C1 ZINC000571132628 823138466 /nfs/dbraw/zinc/13/84/66/823138466.db2.gz DGMRYUCNMSNHHQ-IRXDYDNUSA-N 1 0 379.495 4.248 20 0 GIADRO C[C@@H]([NH2+]C[C@@H]1CS(=O)(=O)c2ccccc21)c1nc(-c2ccccc2)cs1 ZINC000571156739 823141970 /nfs/dbraw/zinc/14/19/70/823141970.db2.gz USIAZPKWKKXSIZ-GDBMZVCRSA-N 1 0 384.526 4.032 20 0 GIADRO CC[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1)c1cccc(F)c1 ZINC000187834068 823142435 /nfs/dbraw/zinc/14/24/35/823142435.db2.gz PTIDOHNDANBXHO-FQEVSTJZSA-N 1 0 378.513 4.096 20 0 GIADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2sc3cc(Cl)ccc3c2Cl)CC1 ZINC000571164287 823142942 /nfs/dbraw/zinc/14/29/42/823142942.db2.gz CLIDWQZBCDCRFZ-CJNGLKHVSA-N 1 0 399.343 4.177 20 0 GIADRO O=C(NCc1ccc2c[nH+]cn2c1)N(CCc1ccc(F)cc1)C1CCCC1 ZINC000459202579 823143361 /nfs/dbraw/zinc/14/33/61/823143361.db2.gz YFGNDLXGNNJAAW-UHFFFAOYSA-N 1 0 380.467 4.170 20 0 GIADRO COc1ccc(C)cc1[C@@H](C)NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000459202458 823143418 /nfs/dbraw/zinc/14/34/18/823143418.db2.gz WHPGQSPOOMIQAF-LJQANCHMSA-N 1 0 395.547 4.371 20 0 GIADRO Cc1cc(NC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)ccc1Oc1cccnc1 ZINC000121232246 823143735 /nfs/dbraw/zinc/14/37/35/823143735.db2.gz JQPCSBGJWFXMAU-SFHVURJKSA-N 1 0 382.508 4.282 20 0 GIADRO CC[S@](=O)[C@H]1CCC[C@H]([NH2+]Cc2cc3cc(Br)ccc3o2)C1 ZINC000571179014 823144500 /nfs/dbraw/zinc/14/45/00/823144500.db2.gz FGZNWOYZUIKRSX-DDVAMESESA-N 1 0 384.339 4.365 20 0 GIADRO C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000459212178 823145050 /nfs/dbraw/zinc/14/50/50/823145050.db2.gz LXZLVPKRDBGTIT-ZDUSSCGKSA-N 1 0 376.382 4.256 20 0 GIADRO CCc1nn(C)c(OC)c1C[NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000571186189 823145463 /nfs/dbraw/zinc/14/54/63/823145463.db2.gz UHQIPFRWTZLXQJ-YJBOKZPZSA-N 1 0 381.442 4.436 20 0 GIADRO CC(C)C[C@@H]([NH2+][C@H]1CCCc2cc(S(N)(=O)=O)ccc21)c1cccs1 ZINC000571184905 823145498 /nfs/dbraw/zinc/14/54/98/823145498.db2.gz IXGFQBDKXFBPHL-ZWKOTPCHSA-N 1 0 378.563 4.150 20 0 GIADRO CCN(C(=O)N[C@@H](C)CCCc1cccnc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459225147 823147753 /nfs/dbraw/zinc/14/77/53/823147753.db2.gz XBZWBWCMKKQAFN-NZQKXSOJSA-N 1 0 394.563 4.099 20 0 GIADRO CCN(C(=O)N[C@@H](C)CCCc1cccnc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459225155 823147782 /nfs/dbraw/zinc/14/77/82/823147782.db2.gz XBZWBWCMKKQAFN-REWPJTCUSA-N 1 0 394.563 4.099 20 0 GIADRO C[NH+](C)CCc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1 ZINC000571222394 823151231 /nfs/dbraw/zinc/15/12/31/823151231.db2.gz CTRWVMFANHYJTD-IBGZPJMESA-N 1 0 393.556 4.420 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1O ZINC000571211088 823149393 /nfs/dbraw/zinc/14/93/93/823149393.db2.gz ZZBNYMXJZXEDIA-MEDUHNTESA-N 1 0 395.286 4.164 20 0 GIADRO CCOc1ccc([C@H](C)NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000056441213 823149477 /nfs/dbraw/zinc/14/94/77/823149477.db2.gz SXCSARLSJDVOOS-KRWDZBQOSA-N 1 0 399.510 4.249 20 0 GIADRO CC[C@@H](NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccccc1OC ZINC000056441243 823149507 /nfs/dbraw/zinc/14/95/07/823149507.db2.gz KUBQIQLETLXLDH-OAQYLSRUSA-N 1 0 399.510 4.249 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H](C)CCCc1cccnc1 ZINC000459242248 823150290 /nfs/dbraw/zinc/15/02/90/823150290.db2.gz KYDCZOATOCTYHL-LJQANCHMSA-N 1 0 382.552 4.086 20 0 GIADRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1 ZINC000571217750 823150431 /nfs/dbraw/zinc/15/04/31/823150431.db2.gz ALAYVIDXTZPNDC-HNNXBMFYSA-N 1 0 396.466 4.001 20 0 GIADRO Cc1ccc(CCN(Cc2ccco2)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000459262387 823153391 /nfs/dbraw/zinc/15/33/91/823153391.db2.gz LSGQRXFJYITJPN-OAQYLSRUSA-N 1 0 383.536 4.074 20 0 GIADRO CCCC[N@H+](C)C[C@H](C)NC(=O)Nc1ccc(OCC)cc1C(F)(F)F ZINC000571240018 823153696 /nfs/dbraw/zinc/15/36/96/823153696.db2.gz JKIUDMXQBPQZKU-ZDUSSCGKSA-N 1 0 375.435 4.346 20 0 GIADRO c1cc([C@@H]2CCC[N@@H+](Cc3cc4ccccc4nc3N3CCCCC3)C2)n[nH]1 ZINC000121282933 823154526 /nfs/dbraw/zinc/15/45/26/823154526.db2.gz JLTLLOKVKYALFC-LJQANCHMSA-N 1 0 375.520 4.328 20 0 GIADRO O=C(NC1CCC(C(F)F)CC1)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000459287586 823156493 /nfs/dbraw/zinc/15/64/93/823156493.db2.gz SMCJQRDAHSRQPC-AJTFCVKESA-N 1 0 391.506 4.118 20 0 GIADRO Fc1ccc([C@H](NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c2ncc[nH]2)cc1 ZINC000187902527 823155515 /nfs/dbraw/zinc/15/55/15/823155515.db2.gz CBALEMJOTBJEMR-JXFKEZNVSA-N 1 0 384.524 4.202 20 0 GIADRO CCOc1cccc2[nH]cc(CC(=O)NC[C@@H](c3ccco3)[NH+]3CCCCC3)c21 ZINC000187903627 823155878 /nfs/dbraw/zinc/15/58/78/823155878.db2.gz JQXPTFSRPXWHDM-IBGZPJMESA-N 1 0 395.503 4.046 20 0 GIADRO Cc1cccc(O[C@H](C)c2nnc(N3C[C@H]4CCC[N@@H+]4C[C@H]3C)n2C2CC2)c1C ZINC000571291646 823161162 /nfs/dbraw/zinc/16/11/62/823161162.db2.gz KCRHXCCDTJYNFR-YVWKXTFCSA-N 1 0 395.551 4.043 20 0 GIADRO O=C(C1CC1)N1CCC([NH2+]C/C=C\c2ccc(OCc3ccccc3)cc2)CC1 ZINC000459294608 823157595 /nfs/dbraw/zinc/15/75/95/823157595.db2.gz KTGUGMXAEAGXIG-DAXSKMNVSA-N 1 0 390.527 4.269 20 0 GIADRO COc1ccc(OCc2nc(CNc3ccc4c(c3)C[N@@H+](C)C4)cs2)cc1 ZINC000121300884 823158629 /nfs/dbraw/zinc/15/86/29/823158629.db2.gz IBOGOBVSZNHUMY-UHFFFAOYSA-N 1 0 381.501 4.288 20 0 GIADRO CCCCCNC(=O)C1CC[NH+](Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000056493697 823159308 /nfs/dbraw/zinc/15/93/08/823159308.db2.gz MMNLYZHKZRVSGX-UHFFFAOYSA-N 1 0 386.458 4.146 20 0 GIADRO CC(=O)c1cccc(OC[C@H](O)C[NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)c1 ZINC000121306408 823159770 /nfs/dbraw/zinc/15/97/70/823159770.db2.gz SGAIKMHEBZOPDM-VWNXMTODSA-N 1 0 393.458 4.147 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)NCC(C)(F)F)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000571279082 823159814 /nfs/dbraw/zinc/15/98/14/823159814.db2.gz XDURUAOOOQFQBQ-UKRRQHHQSA-N 1 0 393.400 4.043 20 0 GIADRO C[N@@H+]1CCC[C@H](CCNC(=O)N(Cc2cccs2)C2Cc3ccccc3C2)C1 ZINC000459325430 823161733 /nfs/dbraw/zinc/16/17/33/823161733.db2.gz WLVFPHMAIXRNQL-GOSISDBHSA-N 1 0 397.588 4.159 20 0 GIADRO CCCOc1ccc([C@H](C)NC(=O)c2ccc(CC[NH+](C)C)cc2)cc1OC ZINC000571296330 823161716 /nfs/dbraw/zinc/16/17/16/823161716.db2.gz LYAFZPPZFNYFEH-KRWDZBQOSA-N 1 0 384.520 4.079 20 0 GIADRO O=C(NCCC1=CC[NH2+]CC1)Nc1ccc(-c2csc(C(F)(F)F)n2)cc1 ZINC000571297591 823161754 /nfs/dbraw/zinc/16/17/54/823161754.db2.gz CBIBFOGSJJOFSD-UHFFFAOYSA-N 1 0 396.438 4.260 20 0 GIADRO Cc1ccc(C(=O)C2CC[NH+](Cc3ccccc3N3CCO[C@@H](C)C3)CC2)cc1 ZINC000459331931 823162682 /nfs/dbraw/zinc/16/26/82/823162682.db2.gz UWJLXHMZWMBWQA-FQEVSTJZSA-N 1 0 392.543 4.315 20 0 GIADRO CCOc1ccc(NC(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)c(C(F)(F)F)c1 ZINC000121322381 823163068 /nfs/dbraw/zinc/16/30/68/823163068.db2.gz MSTJMCJBLHCCGI-CQSZACIVSA-N 1 0 387.446 4.204 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)N2CCc3cccc(Cl)c3C2)CC1 ZINC000459331962 823163143 /nfs/dbraw/zinc/16/31/43/823163143.db2.gz UYXFXQNHOQJJSY-UHFFFAOYSA-N 1 0 398.938 4.072 20 0 GIADRO COc1ccc([C@H](NC(=O)C[N@H+](C)[C@H]2CC[C@@H](C(F)(F)F)CC2)C2CC2)cc1 ZINC000571308991 823163349 /nfs/dbraw/zinc/16/33/49/823163349.db2.gz BCXIDOVWUUGYQU-FUHIMQAGSA-N 1 0 398.469 4.315 20 0 GIADRO C[C@@H](CC(=O)N(C)C)[NH2+][C@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC000121327378 823164111 /nfs/dbraw/zinc/16/41/11/823164111.db2.gz LYGBDYDLRFFCDQ-DJJJIMSYSA-N 1 0 393.300 4.134 20 0 GIADRO O=C1CCCN1C1CC[NH+](C/C=C\c2ccc(OCc3ccccc3)cc2)CC1 ZINC000459337858 823164463 /nfs/dbraw/zinc/16/44/63/823164463.db2.gz LLZCADMQQPIDIT-YWEYNIOJSA-N 1 0 390.527 4.366 20 0 GIADRO C[C@H]1C[NH+](CC2CCN(C(=O)c3ccc(Oc4ccccc4)o3)CC2)C[C@H](C)O1 ZINC000176257533 823164976 /nfs/dbraw/zinc/16/49/76/823164976.db2.gz VFPJXAZGALCZGY-ROUUACIJSA-N 1 0 398.503 4.033 20 0 GIADRO C[C@H](NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C)[C@H]1c1ccccc1)c1cc2ccccc2o1 ZINC000571331790 823166446 /nfs/dbraw/zinc/16/64/46/823166446.db2.gz WYVOVQUPFZSCDG-GPZXFYDGSA-N 1 0 391.515 4.034 20 0 GIADRO C[C@@H]1CN(c2ccccc2C[N@H+](C)C2CCN(Cc3ccccc3)CC2)CCO1 ZINC000459342448 823165926 /nfs/dbraw/zinc/16/59/26/823165926.db2.gz RDVLWBWANRCEIL-OAQYLSRUSA-N 1 0 393.575 4.008 20 0 GIADRO COc1cc(OC)c(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1Cl ZINC000176268594 823168162 /nfs/dbraw/zinc/16/81/62/823168162.db2.gz SJIGGRIHVVUWDP-UHFFFAOYSA-N 1 0 395.931 4.276 20 0 GIADRO CN(Cc1cnn(-c2ccccc2)c1)Cc1ccccc1OCc1ccccn1 ZINC000121349856 823168188 /nfs/dbraw/zinc/16/81/88/823168188.db2.gz DGFGAFMZAHXCIC-UHFFFAOYSA-N 1 0 384.483 4.478 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@@H](C)[C@H](C)c1ccccc1 ZINC000176271265 823168921 /nfs/dbraw/zinc/16/89/21/823168921.db2.gz QHWRQLMALGXSGL-OALUTQOASA-N 1 0 380.536 4.061 20 0 GIADRO Cc1nnc(CN[C@H](CCC[NH+]2CCC(C)CC2)c2ccc(F)cc2)s1 ZINC000571349660 823169271 /nfs/dbraw/zinc/16/92/71/823169271.db2.gz XVFOVYMLMDOMSH-LJQANCHMSA-N 1 0 376.545 4.329 20 0 GIADRO CCc1nnc(-c2ccc(NC(=O)N[C@H](C)[C@@H](c3ccccc3)[NH+](C)C)cc2)o1 ZINC000571353758 823169897 /nfs/dbraw/zinc/16/98/97/823169897.db2.gz XGKNJYYJTNKLMP-QRWLVFNGSA-N 1 0 393.491 4.112 20 0 GIADRO COc1cc(C[NH2+]Cc2cnc(C3CC3)nc2)ccc1OCc1ccccc1 ZINC000459357394 823170431 /nfs/dbraw/zinc/17/04/31/823170431.db2.gz BQIYDNUOZFMQGU-UHFFFAOYSA-N 1 0 375.472 4.231 20 0 GIADRO CCOCCOc1ccc(Cl)cc1NC1CCN(c2cc[nH+]cc2)CC1 ZINC000459361841 823171977 /nfs/dbraw/zinc/17/19/77/823171977.db2.gz WPPIYDCBVKQSLK-UHFFFAOYSA-N 1 0 375.900 4.231 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1-c1noc(-c2ccc(NC(C)C)nc2)n1 ZINC000571362551 823171310 /nfs/dbraw/zinc/17/13/10/823171310.db2.gz RBMMDLMEBSOOLT-UHFFFAOYSA-N 1 0 395.507 4.340 20 0 GIADRO C[C@@H](Nc1ccccc1C[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cc2ccccc2o1 ZINC000459344203 823166496 /nfs/dbraw/zinc/16/64/96/823166496.db2.gz BBRUJKODQFUTBZ-VQIMIIECSA-N 1 0 377.488 4.303 20 0 GIADRO Fc1ccc2nc([C@@H]3CCC[N@@H+]([C@H]4CCN(Cc5ccccc5)C4)C3)oc2c1 ZINC000459377699 823177250 /nfs/dbraw/zinc/17/72/50/823177250.db2.gz PWSYCFSZSKWJRY-QUCCMNQESA-N 1 0 379.479 4.421 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCCC1)N1CCC[C@@H]1c1ccccn1 ZINC000056578604 823174235 /nfs/dbraw/zinc/17/42/35/823174235.db2.gz DFXRJOJKBIDQKG-JOCHJYFZSA-N 1 0 378.520 4.114 20 0 GIADRO Cc1ccc(-n2ncc(NC(=O)N3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)c2C(C)C)cc1 ZINC000571377040 823174447 /nfs/dbraw/zinc/17/44/47/823174447.db2.gz WVNZQRRFQRLJBZ-NQIIRXRSSA-N 1 0 395.551 4.252 20 0 GIADRO CC(=O)Nc1cccc(C[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)c1 ZINC000459370010 823174554 /nfs/dbraw/zinc/17/45/54/823174554.db2.gz GPQFGIWMUUQIPI-UHFFFAOYSA-N 1 0 389.503 4.308 20 0 GIADRO COc1ccc(-c2ccccc2C)cc1C[N@H+]1CCO[C@@H]2CC[C@H](OC)C[C@H]21 ZINC000459370844 823174857 /nfs/dbraw/zinc/17/48/57/823174857.db2.gz XPJXPDSQWPENPU-BGWNEDDSSA-N 1 0 381.516 4.439 20 0 GIADRO COc1cccc(CC2(C(=O)NCc3cnc4n3CCCC4)CCCCC2)c1 ZINC000571378773 823174865 /nfs/dbraw/zinc/17/48/65/823174865.db2.gz GTYQPDSKTCCONH-UHFFFAOYSA-N 1 0 381.520 4.037 20 0 GIADRO Cc1cc(F)c(C[NH2+]C2CCN(C(=O)c3ccccc3F)CC2)c(Cl)c1 ZINC000459372472 823175096 /nfs/dbraw/zinc/17/50/96/823175096.db2.gz JBOCPSWEGGTBGE-UHFFFAOYSA-N 1 0 378.850 4.321 20 0 GIADRO C[N@@H+]1CCC[C@@H](CCNC(=O)Nc2cccc(CSc3ccccn3)c2)C1 ZINC000459371750 823175142 /nfs/dbraw/zinc/17/51/42/823175142.db2.gz IQURPTPNHRXQMV-KRWDZBQOSA-N 1 0 384.549 4.227 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1C[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000459375053 823176119 /nfs/dbraw/zinc/17/61/19/823176119.db2.gz JPFPDEZDWCYUAI-UHFFFAOYSA-N 1 0 389.908 4.296 20 0 GIADRO COc1ccc(C[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)cc1F ZINC000459379971 823177850 /nfs/dbraw/zinc/17/78/50/823177850.db2.gz BHNXFJZJZZNEFK-UHFFFAOYSA-N 1 0 380.467 4.498 20 0 GIADRO CSc1ccc([C@@H](CNC(=O)CC2CC(OC(C)(C)C)C2)[NH+](C)C)cc1 ZINC000571438958 823183012 /nfs/dbraw/zinc/18/30/12/823183012.db2.gz DMGSXPWHWMVIIW-GXOAENINSA-N 1 0 378.582 4.111 20 0 GIADRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)[C@H]1Sc1ccccc1 ZINC000459383008 823178823 /nfs/dbraw/zinc/17/88/23/823178823.db2.gz UEFQOZLYBTYNDM-JJCGOBCMSA-N 1 0 394.544 4.256 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)Cc2cn(C3CCCC3)nc2-c2ccccn2)C[C@@H]1C ZINC000459384844 823179244 /nfs/dbraw/zinc/17/92/44/823179244.db2.gz YEAQHYSEJYKAHA-GHTZIAJQSA-N 1 0 381.568 4.365 20 0 GIADRO CCOc1ccc(Oc2ccc(NC(=O)N3CC[C@]4(C3)CCC[NH2+]C4)cc2)cc1 ZINC000571413762 823179477 /nfs/dbraw/zinc/17/94/77/823179477.db2.gz FHGWQRKTDSLXAZ-HSZRJFAPSA-N 1 0 395.503 4.485 20 0 GIADRO COc1ccccc1Oc1ccc(NC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1F ZINC000571413944 823179719 /nfs/dbraw/zinc/17/97/19/823179719.db2.gz OYGNUMFLZHMOAZ-OWCLPIDISA-N 1 0 399.466 4.136 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+][C@@H](CC(=O)N(C)C)c2ccccc2)[C@H]1Sc1ccccc1 ZINC000459385693 823179720 /nfs/dbraw/zinc/17/97/20/823179720.db2.gz KFKSYDBTBKBAHK-NNXSRULWSA-N 1 0 398.572 4.134 20 0 GIADRO COc1cccc(C[C@@H]([NH2+]CC2CCN(C(=O)c3ccccc3)CC2)C2CC2)c1 ZINC000121409983 823179745 /nfs/dbraw/zinc/17/97/45/823179745.db2.gz PLBIZNBKTCNORA-XMMPIXPASA-N 1 0 392.543 4.158 20 0 GIADRO C[C@@H](c1cccc(Br)c1)[NH+]1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000121431027 823183133 /nfs/dbraw/zinc/18/31/33/823183133.db2.gz RXKDJJXWIMOHEU-HOTGVXAUSA-N 1 0 393.369 4.481 20 0 GIADRO CCN(CCC[NH+](CC)CC)C(=O)c1ccc(NC(=O)c2cccs2)cc1 ZINC000188061548 823180032 /nfs/dbraw/zinc/18/00/32/823180032.db2.gz LRVSPSGBDPZVLU-UHFFFAOYSA-N 1 0 387.549 4.194 20 0 GIADRO CCN(C(=O)NCc1noc2ccccc12)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000571417890 823180054 /nfs/dbraw/zinc/18/00/54/823180054.db2.gz VCTGUIBRDITTGU-MJGOQNOKSA-N 1 0 392.503 4.195 20 0 GIADRO Clc1sc(C[NH2+]Cc2cccnc2-n2ccnc2)cc1Br ZINC000190750615 823605059 /nfs/dbraw/zinc/60/50/59/823605059.db2.gz GDPMQOMFZVXWMA-UHFFFAOYSA-N 1 0 383.702 4.035 20 0 GIADRO Cc1nc(NC(=O)NCc2ccccc2C[NH+]2CCCC2)sc1C(F)(F)F ZINC000571420730 823180349 /nfs/dbraw/zinc/18/03/49/823180349.db2.gz CBBCCWOUVGLLPV-UHFFFAOYSA-N 1 0 398.454 4.388 20 0 GIADRO Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000188063489 823180399 /nfs/dbraw/zinc/18/03/99/823180399.db2.gz RXKVZFMGMAWQAX-CYBMUJFWSA-N 1 0 397.441 4.375 20 0 GIADRO Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000188063466 823180476 /nfs/dbraw/zinc/18/04/76/823180476.db2.gz RXKVZFMGMAWQAX-ZDUSSCGKSA-N 1 0 397.441 4.375 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(C(=O)NC3CC3)c2)[C@H]1Sc1ccccc1 ZINC000459389031 823180577 /nfs/dbraw/zinc/18/05/77/823180577.db2.gz QCPQOGFDPJVAJF-BHDDXSALSA-N 1 0 396.556 4.007 20 0 GIADRO COc1cc2c(cc1OC)[C@@H]([NH2+]C[C@@H](c1ccc(SC)cc1)N(C)C)CC2 ZINC000571423870 823180840 /nfs/dbraw/zinc/18/08/40/823180840.db2.gz BQUSSFZSGOYLBM-PMACEKPBSA-N 1 0 386.561 4.306 20 0 GIADRO O=c1cc(C[NH2+][C@H](c2ccc(Br)cc2)C2CCC2)nc(C2CC2)[nH]1 ZINC000459389271 823180959 /nfs/dbraw/zinc/18/09/59/823180959.db2.gz GYZSDBNVAMUGFV-SFHVURJKSA-N 1 0 388.309 4.453 20 0 GIADRO COC(=O)N(C)c1ccc(NC(=O)NCc2ccccc2C[N@H+](C)C(C)C)cc1 ZINC000056611649 823180969 /nfs/dbraw/zinc/18/09/69/823180969.db2.gz LMOIUXHEQWQQTI-UHFFFAOYSA-N 1 0 398.507 4.051 20 0 GIADRO C[C@@H]([NH2+]C1CC(C)(c2ccccc2)C1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000459391277 823181149 /nfs/dbraw/zinc/18/11/49/823181149.db2.gz OLJNCQONFQDYHC-XTKODWKTSA-N 1 0 378.516 4.115 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(NC(=O)c3ccc(F)cc3)cc2)[C@@H]1SC ZINC000459395469 823182312 /nfs/dbraw/zinc/18/23/12/823182312.db2.gz HVPDDIAUKSNDCP-ZCNNSNEGSA-N 1 0 388.508 4.077 20 0 GIADRO CCO[C@@H]1C[C@@H]([NH2+]C2CCN(c3cccc(C)n3)CC2)[C@H]1Sc1ccccc1 ZINC000459403478 823185199 /nfs/dbraw/zinc/18/51/99/823185199.db2.gz BVAGHSZZIRNYTB-MQSCRBSSSA-N 1 0 397.588 4.287 20 0 GIADRO CN(CCC(F)(F)F)[C@@H](C[NH2+][C@@H]1CCOC1(C)C)c1ccc(Cl)cc1 ZINC000571456070 823185618 /nfs/dbraw/zinc/18/56/18/823185618.db2.gz FRPRUQQSAZVZNW-JKSUJKDBSA-N 1 0 378.866 4.422 20 0 GIADRO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459406595 823185821 /nfs/dbraw/zinc/18/58/21/823185821.db2.gz UNXFUXOASGJIQM-INIZCTEOSA-N 1 0 384.524 4.270 20 0 GIADRO C[C@H](CC(=O)OC(C)(C)C)[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459406596 823185932 /nfs/dbraw/zinc/18/59/32/823185932.db2.gz UNXFUXOASGJIQM-MRXNPFEDSA-N 1 0 384.524 4.270 20 0 GIADRO Cc1cc(F)c(C[NH2+]C2CCC(C(=O)N3CCSCC3)CC2)c(Cl)c1 ZINC000459406626 823186203 /nfs/dbraw/zinc/18/62/03/823186203.db2.gz JXKJJKKZZWKWIP-UHFFFAOYSA-N 1 0 384.948 4.011 20 0 GIADRO C[NH+]1CCC(Oc2ccc(CNC(=O)c3csc4c3CCCC4)cc2)CC1 ZINC000571467835 823187004 /nfs/dbraw/zinc/18/70/04/823187004.db2.gz HOQZGCOZXISLJX-UHFFFAOYSA-N 1 0 384.545 4.030 20 0 GIADRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CCn3cc(Cl)cn3)s2)cc1 ZINC000459411229 823187036 /nfs/dbraw/zinc/18/70/36/823187036.db2.gz UJYIFNXYTPYACW-LBPRGKRZSA-N 1 0 376.913 4.328 20 0 GIADRO CCN(CCC[NH+]1CCCC1)C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000188105567 823187249 /nfs/dbraw/zinc/18/72/49/823187249.db2.gz FOWQMAQJKRJTLD-UHFFFAOYSA-N 1 0 394.519 4.279 20 0 GIADRO CCN(CCC[NH+]1CCCC1)C(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1 ZINC000188107901 823187595 /nfs/dbraw/zinc/18/75/95/823187595.db2.gz QERFEYDXPXLBMC-UHFFFAOYSA-N 1 0 393.531 4.195 20 0 GIADRO CCC[C@@H](C(=O)N(C)C1CC[NH+](Cc2ncc(C)c(OC)c2C)CC1)C(C)C ZINC000121454815 823187877 /nfs/dbraw/zinc/18/78/77/823187877.db2.gz MXLBGJLJWCPEBA-HXUWFJFHSA-N 1 0 389.584 4.202 20 0 GIADRO C[C@@H]1CN(c2ccccc2C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)CCO1 ZINC000459416740 823188057 /nfs/dbraw/zinc/18/80/57/823188057.db2.gz CKJNWVTZQUWFSM-GOSISDBHSA-N 1 0 396.531 4.157 20 0 GIADRO Cc1nc(CC2CC2)sc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000188119484 823189489 /nfs/dbraw/zinc/18/94/89/823189489.db2.gz HLXFKWXFINTOCI-BEFAXECRSA-N 1 0 383.561 4.187 20 0 GIADRO C[C@@H]1CN(Cc2cccc(NC(=O)c3sccc3OC(F)F)c2)C[C@H](C)O1 ZINC000121465826 823189536 /nfs/dbraw/zinc/18/95/36/823189536.db2.gz SQTZBMFELJACCI-BETUJISGSA-N 1 0 396.459 4.211 20 0 GIADRO COc1ccc(-c2ccccc2C)cc1C[NH2+]Cc1ccccc1OCCO ZINC000459423893 823189601 /nfs/dbraw/zinc/18/96/01/823189601.db2.gz FPEDARGZPBFTGK-UHFFFAOYSA-N 1 0 377.484 4.332 20 0 GIADRO CCOc1cc(C[NH2+]CCC2CCN(CC(F)(F)F)CC2)cc(Cl)c1O ZINC000459424321 823189834 /nfs/dbraw/zinc/18/98/34/823189834.db2.gz KUAVABHADGYVJB-UHFFFAOYSA-N 1 0 394.865 4.198 20 0 GIADRO Brc1ccccc1-n1cc(NC2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000459427877 823190162 /nfs/dbraw/zinc/19/01/62/823190162.db2.gz AEOWRSJDXYOPOW-UHFFFAOYSA-N 1 0 398.308 4.111 20 0 GIADRO COC(=O)c1ccc(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1Cl ZINC000176358497 823190567 /nfs/dbraw/zinc/19/05/67/823190567.db2.gz MQNWSEIHDLQGSA-UHFFFAOYSA-N 1 0 393.915 4.045 20 0 GIADRO CCO[C@H]1C[C@]([NH3+])(C(=O)NCc2sc3ccc(Cl)cc3c2C)C1(C)C ZINC000571520753 823195513 /nfs/dbraw/zinc/19/55/13/823195513.db2.gz YRFJREBTRIIITJ-LPHOPBHVSA-N 1 0 380.941 4.012 20 0 GIADRO Fc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]Cc2c[nH]c3nccnc23)cc1 ZINC000571489180 823190895 /nfs/dbraw/zinc/19/08/95/823190895.db2.gz XNABZVPWGQHUPZ-UHFFFAOYSA-N 1 0 398.445 4.191 20 0 GIADRO COc1ccc(C[NH+](C)C)cc1NC(=O)N(C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000571492817 823191562 /nfs/dbraw/zinc/19/15/62/823191562.db2.gz ZHSCYPFWHRGFDM-ZBFHGGJFSA-N 1 0 387.446 4.342 20 0 GIADRO O[C@@H]1CCCC[C@@H]1CCC[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459437083 823191858 /nfs/dbraw/zinc/19/18/58/823191858.db2.gz RILILZYZVFIPCY-XMSQKQJNSA-N 1 0 382.552 4.481 20 0 GIADRO C[C@H](CN1CCCC1=O)[NH2+][C@H](C)c1ccc(Br)cc1C(F)(F)F ZINC000188140413 823192583 /nfs/dbraw/zinc/19/25/83/823192583.db2.gz UWHQHGHKCKTQCI-GHMZBOCLSA-N 1 0 393.247 4.129 20 0 GIADRO COc1ccccc1-c1nc(C2CC[NH+](CCOCC3CCCC3)CC2)no1 ZINC000459442201 823192716 /nfs/dbraw/zinc/19/27/16/823192716.db2.gz WYJIPFQEFADZHH-UHFFFAOYSA-N 1 0 385.508 4.131 20 0 GIADRO C[N@@H+]1CCC[C@H](CNCc2cccc(O)c2Br)[C@@H]1c1cccs1 ZINC000459441454 823192725 /nfs/dbraw/zinc/19/27/25/823192725.db2.gz VZSLTQWYRVNUCI-RDTXWAMCSA-N 1 0 395.366 4.389 20 0 GIADRO CCCOc1ccc(Cl)cc1NC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000571504655 823193239 /nfs/dbraw/zinc/19/32/39/823193239.db2.gz SFHSSPLUDXATDJ-SFHVURJKSA-N 1 0 379.932 4.371 20 0 GIADRO CCOc1cc(C[NH2+][C@@H]2CSc3ccccc32)cc(Br)c1O ZINC000459443684 823193385 /nfs/dbraw/zinc/19/33/85/823193385.db2.gz LCAAZYIPSGJVFD-CQSZACIVSA-N 1 0 380.307 4.490 20 0 GIADRO C[C@H]1[N@H+](CC2=Cc3cc(Br)ccc3OC2)CCC12CCOCC2 ZINC000571527151 823195791 /nfs/dbraw/zinc/19/57/91/823195791.db2.gz GUPJRPKUAIKLEI-CQSZACIVSA-N 1 0 378.310 4.116 20 0 GIADRO CC(C)C(=O)c1ccc([C@H](C)C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000571504802 823193687 /nfs/dbraw/zinc/19/36/87/823193687.db2.gz VMNCYOODMIRYDF-WMZHIEFXSA-N 1 0 392.543 4.410 20 0 GIADRO CC(=O)Nc1c(C)ccc(NC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)c1C ZINC000056691189 823193826 /nfs/dbraw/zinc/19/38/26/823193826.db2.gz GGVUXLWUCVJGDL-UHFFFAOYSA-N 1 0 394.519 4.002 20 0 GIADRO CC(=O)Nc1c(C)ccc(NC(=O)NCc2ccccc2C[NH+]2CCCC2)c1C ZINC000056691232 823193847 /nfs/dbraw/zinc/19/38/47/823193847.db2.gz MJNAMONISWHBJI-UHFFFAOYSA-N 1 0 394.519 4.179 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)[C@H]1Sc1ccccc1 ZINC000459447621 823194206 /nfs/dbraw/zinc/19/42/06/823194206.db2.gz GNNVEWZFKQUCFI-LWEZJYPDSA-N 1 0 389.586 4.413 20 0 GIADRO CC(C)[C@H](C[NH2+]C[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1)c1cccnc1 ZINC000571516370 823194901 /nfs/dbraw/zinc/19/49/01/823194901.db2.gz MKPLYPMQNSOKSF-NDXORKPFSA-N 1 0 376.928 4.203 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+]C[C@H](C[C@H](C)O)c2ccccc2)[C@H]1Sc1ccccc1 ZINC000459453535 823195258 /nfs/dbraw/zinc/19/52/58/823195258.db2.gz XMZSZUYNSDDXRF-GEPXCNEXSA-N 1 0 385.573 4.469 20 0 GIADRO COc1ccc([C@H](OC)[C@@H](C)[NH2+]Cc2cccc(O)c2Br)cc1 ZINC000459453174 823195261 /nfs/dbraw/zinc/19/52/61/823195261.db2.gz ADAQQTSNSFXRFS-KZULUSFZSA-N 1 0 380.282 4.029 20 0 GIADRO CC(C)n1cc([C@@H](C)[NH2+]CCc2nc3sc4c(c3c(N)n2)CC[C@@H](C)C4)cn1 ZINC000571527971 823196232 /nfs/dbraw/zinc/19/62/32/823196232.db2.gz QHHDKKXJIUANGV-ZIAGYGMSSA-N 1 0 398.580 4.069 20 0 GIADRO CCN(CC)C(=O)CCC1CC[NH+](Cc2cccc(O)c2Br)CC1 ZINC000459459228 823196447 /nfs/dbraw/zinc/19/64/47/823196447.db2.gz HXRZSPXXZLKUKY-UHFFFAOYSA-N 1 0 397.357 4.015 20 0 GIADRO Fc1cc(F)cc(O[C@@H]2CCC[C@@H]2[NH2+]Cc2cncn2Cc2ccccc2)c1 ZINC000571531894 823196782 /nfs/dbraw/zinc/19/67/82/823196782.db2.gz WNAIVWTZNCXGGZ-FCHUYYIVSA-N 1 0 383.442 4.299 20 0 GIADRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)CCc1c2ccccc2[nH]c1-c1ccc(F)cc1 ZINC000571532387 823196881 /nfs/dbraw/zinc/19/68/81/823196881.db2.gz DAVKFYDNQHFDJT-NRFANRHFSA-N 1 0 393.506 4.411 20 0 GIADRO CCC(CC)n1nccc1C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000121508132 823197166 /nfs/dbraw/zinc/19/71/66/823197166.db2.gz VJQVPVAAVRNIFU-UHFFFAOYSA-N 1 0 378.904 4.090 20 0 GIADRO C[C@H]1C[C@@H](NC(=O)N[C@H]2CCOc3c(F)cccc32)CC[N@@H+]1Cc1ccccc1 ZINC000188171170 823197442 /nfs/dbraw/zinc/19/74/42/823197442.db2.gz REIJRODXVVKIAN-MDKPJZGXSA-N 1 0 397.494 4.002 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNCc1cccc(O)c1Br ZINC000459463349 823197615 /nfs/dbraw/zinc/19/76/15/823197615.db2.gz LDFAZDNLUGKGDX-UHFFFAOYSA-N 1 0 377.326 4.285 20 0 GIADRO O=C(c1ccncc1)N1CCC([NH2+][C@H]2CCC[C@H]2c2ccccc2Cl)CC1 ZINC000459465019 823197891 /nfs/dbraw/zinc/19/78/91/823197891.db2.gz NBXWLLDSJHBTDS-FPOVZHCZSA-N 1 0 383.923 4.266 20 0 GIADRO CCC[C@@H](C)C(=O)NCC[NH2+][C@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000571540936 823197938 /nfs/dbraw/zinc/19/79/38/823197938.db2.gz FIVWPAMFGUTYNZ-ZIAGYGMSSA-N 1 0 377.529 4.461 20 0 GIADRO O=C(c1ccncc1)N1CCC([NH2+][C@@H]2CCC[C@@H]2c2ccccc2Cl)CC1 ZINC000459465022 823197972 /nfs/dbraw/zinc/19/79/72/823197972.db2.gz NBXWLLDSJHBTDS-TZIWHRDSSA-N 1 0 383.923 4.266 20 0 GIADRO C[C@@H]1[N@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)CCC12CCOCC2 ZINC000459479596 823201195 /nfs/dbraw/zinc/20/11/95/823201195.db2.gz IRYAHAVYJSAHBD-SFHVURJKSA-N 1 0 380.536 4.451 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2)C1)CC(F)(F)F ZINC000176398391 823199360 /nfs/dbraw/zinc/19/93/60/823199360.db2.gz KGYOIXNOQURVNX-HNNXBMFYSA-N 1 0 398.391 4.334 20 0 GIADRO Cc1nc2ccc(NC(=O)N3CC[C@]4(CC[N@H+](Cc5ccccc5)C4)C3)cc2o1 ZINC000571549299 823199401 /nfs/dbraw/zinc/19/94/01/823199401.db2.gz JMVFNCQKXKLIQY-QHCPKHFHSA-N 1 0 390.487 4.266 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2cc(=O)oc3c(C)c(C)ccc23)C1)CC(F)(F)F ZINC000176398177 823199445 /nfs/dbraw/zinc/19/94/45/823199445.db2.gz RTCLPDIEZALYOI-MRXNPFEDSA-N 1 0 396.453 4.116 20 0 GIADRO CC[C@@H]([NH2+]Cc1cc(=O)[nH]c(-c2ccccc2)n1)c1ccc(OC)c(OC)c1 ZINC000459473585 823199552 /nfs/dbraw/zinc/19/95/52/823199552.db2.gz WXANIWAPJMJYIY-GOSISDBHSA-N 1 0 379.460 4.107 20 0 GIADRO CCc1ccc(-c2noc(C[N@H+]3CC[C@H](CN(CC)CC(F)(F)F)C3)n2)cc1 ZINC000176401175 823200298 /nfs/dbraw/zinc/20/02/98/823200298.db2.gz DPUGFFWVGDTTLU-MRXNPFEDSA-N 1 0 396.457 4.005 20 0 GIADRO OC[C@@H](C[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1)Cc1ccccc1 ZINC000459481560 823201708 /nfs/dbraw/zinc/20/17/08/823201708.db2.gz WTPDEFMQTMIOCW-HXUWFJFHSA-N 1 0 390.531 4.001 20 0 GIADRO C(=C\c1ccc(OCc2ccccc2)cc1)\C[NH2+]CCc1cn2c(n1)SCC2 ZINC000459483968 823201905 /nfs/dbraw/zinc/20/19/05/823201905.db2.gz SUDXEUBHJKQKOX-DAXSKMNVSA-N 1 0 391.540 4.413 20 0 GIADRO OCC[C@@H]([NH2+]C/C=C/c1ccc(OCc2ccccc2)cc1)C1CCOCC1 ZINC000459484653 823202411 /nfs/dbraw/zinc/20/24/11/823202411.db2.gz UOIZDVSAACEFGL-PTGVWUEVSA-N 1 0 381.516 4.046 20 0 GIADRO OCC[C@H]([NH2+]C/C=C\c1ccc(OCc2ccccc2)cc1)C1CCOCC1 ZINC000459484654 823202425 /nfs/dbraw/zinc/20/24/25/823202425.db2.gz UOIZDVSAACEFGL-YUAYSCSESA-N 1 0 381.516 4.046 20 0 GIADRO CS(=O)(=O)c1cccc([C@H]([NH2+]C2CC3(CCC3)C2)c2cc(F)ccc2F)c1 ZINC000459487132 823202624 /nfs/dbraw/zinc/20/26/24/823202624.db2.gz VPAIIFOGUDEZSN-FQEVSTJZSA-N 1 0 391.483 4.380 20 0 GIADRO Oc1cccc(C[NH2+][C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1Br ZINC000459487955 823202858 /nfs/dbraw/zinc/20/28/58/823202858.db2.gz RFLAPDCKPWOTRO-NVXWUHKLSA-N 1 0 380.257 4.304 20 0 GIADRO Cc1cc(F)c(CN(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)c(Cl)c1 ZINC000459491166 823203301 /nfs/dbraw/zinc/20/33/01/823203301.db2.gz UHFMTKUMJSPHIF-MGPUTAFESA-N 1 0 378.923 4.036 20 0 GIADRO O=C(c1ccc2noc(-c3ccc(F)cc3)c2c1)N1CCC([NH+]2CCCC2)CC1 ZINC000121549429 823204061 /nfs/dbraw/zinc/20/40/61/823204061.db2.gz CUTZFIUROIIMFC-UHFFFAOYSA-N 1 0 393.462 4.334 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1cnn(C(C)C)c1C1CC1)c1cccc(OC)c1 ZINC000121552155 823204234 /nfs/dbraw/zinc/20/42/34/823204234.db2.gz OWSNIDYDMVIRJB-NRFANRHFSA-N 1 0 398.551 4.163 20 0 GIADRO COc1ccccc1[C@H](N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000121564229 823206729 /nfs/dbraw/zinc/20/67/29/823206729.db2.gz HIKIMIUGVGRKHQ-OWHZGTRUSA-N 1 0 387.527 4.432 20 0 GIADRO CSC[C@H](CCO)[NH2+][C@@H](C)c1ccc(Br)cc1C(F)(F)F ZINC000188216862 823204840 /nfs/dbraw/zinc/20/48/40/823204840.db2.gz PHCYZPXIPPVJTN-ONGXEEELSA-N 1 0 386.277 4.233 20 0 GIADRO Cc1cccc(Nc2nnc(SCCCN3CC[NH+](C(C)C)CC3)s2)c1 ZINC000188219839 823205399 /nfs/dbraw/zinc/20/53/99/823205399.db2.gz ARSMYLHJLXDNBL-UHFFFAOYSA-N 1 0 391.610 4.098 20 0 GIADRO O=C(CC[NH+]1CCC2(CC1)OCCc1ccccc12)Nc1ccc(Cl)cc1 ZINC000459509132 823207435 /nfs/dbraw/zinc/20/74/35/823207435.db2.gz BNZRNUBVDGEMKP-UHFFFAOYSA-N 1 0 384.907 4.233 20 0 GIADRO C[C@H](CO[C@H]1CCOC1)[NH2+][C@@H](C)c1ccc(Br)cc1C(F)(F)F ZINC000188240366 823208264 /nfs/dbraw/zinc/20/82/64/823208264.db2.gz MRTDNQATJYLPMP-MDZLAQPJSA-N 1 0 396.247 4.313 20 0 GIADRO CCOc1cc(C[NH+]2CCC(CO)(Cc3ccccc3)CC2)cc(Cl)c1O ZINC000459512435 823208254 /nfs/dbraw/zinc/20/82/54/823208254.db2.gz JRMRJTIXVDVARW-UHFFFAOYSA-N 1 0 389.923 4.262 20 0 GIADRO O=C(c1ccc(NC2CCN(c3cc[nH+]cc3)CC2)cc1)N1CCCCCC1 ZINC000459513755 823208638 /nfs/dbraw/zinc/20/86/38/823208638.db2.gz PQHJNSARWPOEKV-UHFFFAOYSA-N 1 0 378.520 4.179 20 0 GIADRO CS(=O)(=O)c1cc(C[NH2+]CCc2cccc(Cl)c2)cc(C(F)(F)F)c1 ZINC000459514248 823208678 /nfs/dbraw/zinc/20/86/78/823208678.db2.gz BKUSTMBUJNUVIH-UHFFFAOYSA-N 1 0 391.842 4.095 20 0 GIADRO COc1cccc(CNC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)c1OC ZINC000056763988 823208942 /nfs/dbraw/zinc/20/89/42/823208942.db2.gz SJUYGIGZWKWKSA-UHFFFAOYSA-N 1 0 397.519 4.054 20 0 GIADRO COc1ccc(CN(C)C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)cc1 ZINC000056764426 823208984 /nfs/dbraw/zinc/20/89/84/823208984.db2.gz ISJDZOZIQOYAOX-UHFFFAOYSA-N 1 0 381.520 4.388 20 0 GIADRO CCC(=O)N1CC[C@H]([NH2+][C@@H](c2ccccc2)c2ccc(Br)cc2)C1 ZINC000188249980 823209008 /nfs/dbraw/zinc/20/90/08/823209008.db2.gz KDHPKHXEPUFJIZ-ICSRJNTNSA-N 1 0 387.321 4.139 20 0 GIADRO CCC1(CC)CN(C(=O)Nc2cc(C)nn2[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000571615491 823209478 /nfs/dbraw/zinc/20/94/78/823209478.db2.gz VSEGZVYUVRWKQP-HXUWFJFHSA-N 1 0 395.551 4.292 20 0 GIADRO CC[C@H]([NH2+]CC1(OC)CCOCC1)c1ccc(Br)cc1Cl ZINC000188255292 823209897 /nfs/dbraw/zinc/20/98/97/823209897.db2.gz OLPQDCMOJZWHLD-HNNXBMFYSA-N 1 0 376.722 4.339 20 0 GIADRO COc1ccc(OCc2ccccn2)c(C[NH+]2CCC([C@@H]3CCCO3)CC2)c1 ZINC000188263279 823210764 /nfs/dbraw/zinc/21/07/64/823210764.db2.gz WJASPEHZCOIRFD-QFIPXVFZSA-N 1 0 382.504 4.060 20 0 GIADRO O=C(CC[NH+]1CCC2(CC1)OCCc1ccccc12)Nc1ccccc1Cl ZINC000459530373 823212824 /nfs/dbraw/zinc/21/28/24/823212824.db2.gz SAIMUGJXWQIGGV-UHFFFAOYSA-N 1 0 384.907 4.233 20 0 GIADRO Brc1ccc(-n2cc(C[NH+]3CCC([C@@H]4CCCO4)CC3)cn2)cc1 ZINC000188280113 823213626 /nfs/dbraw/zinc/21/36/26/823213626.db2.gz GMWZXRNFWCQUHB-IBGZPJMESA-N 1 0 390.325 4.026 20 0 GIADRO CCC[NH+]1CCC(NC(=O)N2CCC([C@@H](F)c3ccccc3F)CC2)CC1 ZINC000571652520 823214836 /nfs/dbraw/zinc/21/48/36/823214836.db2.gz VNXQLQLXJLGBPX-HXUWFJFHSA-N 1 0 379.495 4.132 20 0 GIADRO C[C@H](NC(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1cc2ccccc2o1 ZINC000571658237 823215237 /nfs/dbraw/zinc/21/52/37/823215237.db2.gz YWPWMJNDZCZMGS-ZAAXVRCTSA-N 1 0 395.478 4.325 20 0 GIADRO Cc1cccc(-c2noc(CN[C@@H](c3ccccc3)C3(CO)CCCC3)n2)c1 ZINC000459538957 823215295 /nfs/dbraw/zinc/21/52/95/823215295.db2.gz WCCIXOASZHUZJG-NRFANRHFSA-N 1 0 377.488 4.429 20 0 GIADRO CN(Cc1cn(C2CCCC2)nc1-c1ccccn1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000459539688 823215506 /nfs/dbraw/zinc/21/55/06/823215506.db2.gz CLAWMRUSEJBELE-WCRBZPEASA-N 1 0 379.552 4.117 20 0 GIADRO C[N@@H+]1CCC[C@@H](CCNC(=O)Nc2ccc(F)cc2OCCC(F)(F)F)C1 ZINC000459542617 823215856 /nfs/dbraw/zinc/21/58/56/823215856.db2.gz ARBMGOVITHGIEJ-ZDUSSCGKSA-N 1 0 391.409 4.010 20 0 GIADRO CC(C)[C@H]([NH2+]C/C=C/c1ccc(OCc2ccccc2)cc1)c1nncn1C ZINC000459543782 823216612 /nfs/dbraw/zinc/21/66/12/823216612.db2.gz MLRXTTSONOPNSN-FNNXTJRKSA-N 1 0 376.504 4.394 20 0 GIADRO COc1cc(OC)cc(Oc2cccc(C[NH2+]Cc3cnc(C4CC4)nc3)c2)c1 ZINC000459544891 823216651 /nfs/dbraw/zinc/21/66/51/823216651.db2.gz OWWISKHJYFFPOB-UHFFFAOYSA-N 1 0 391.471 4.453 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+][C@H](C)c2ccc(NC(=O)NC3CC3)cc2)c1 ZINC000121617553 823216848 /nfs/dbraw/zinc/21/68/48/823216848.db2.gz GOIQMVVQANZQPY-CABCVRRESA-N 1 0 380.492 4.341 20 0 GIADRO Oc1cccc(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c1Br ZINC000459545471 823217036 /nfs/dbraw/zinc/21/70/36/823217036.db2.gz LRNZCSSBBSCXTA-KURKYZTESA-N 1 0 388.305 4.159 20 0 GIADRO O=C(CC[NH2+][C@H]1CCO[C@H](c2ccc(F)cc2)C1)Nc1cccc(Cl)c1 ZINC000571671555 823217061 /nfs/dbraw/zinc/21/70/61/823217061.db2.gz ATFLUFMYSYBNEE-HKUYNNGSSA-N 1 0 376.859 4.318 20 0 GIADRO COc1ccc([C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)C2CC2)cc1 ZINC000056827017 823219581 /nfs/dbraw/zinc/21/95/81/823219581.db2.gz UDCXEVPSYUIWNV-JOCHJYFZSA-N 1 0 399.510 4.059 20 0 GIADRO COCC1(C[NH2+]C/C=C/c2ccc(OCc3ccccc3)cc2)CCOCC1 ZINC000459557485 823219819 /nfs/dbraw/zinc/21/98/19/823219819.db2.gz LTJFGDDZNXWIFW-VMPITWQZSA-N 1 0 381.516 4.312 20 0 GIADRO O=C(c1cnc(-c2cccnc2)s1)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000571713738 823222987 /nfs/dbraw/zinc/22/29/87/823222987.db2.gz LITOKHQBCATNGS-UHFFFAOYSA-N 1 0 384.549 4.076 20 0 GIADRO Cc1cnc([C@@H](C)NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)s1 ZINC000176492759 823220064 /nfs/dbraw/zinc/22/00/64/823220064.db2.gz GADRUWLCXDDNLN-BPIHKTFHSA-N 1 0 384.549 4.007 20 0 GIADRO C[C@](CO)(C[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1)c1ccccc1 ZINC000459570244 823222740 /nfs/dbraw/zinc/22/27/40/823222740.db2.gz ZJIWXZUWODDOML-XMMPIXPASA-N 1 0 390.531 4.100 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(C)nc2Br)cc1 ZINC000188348013 823223604 /nfs/dbraw/zinc/22/36/04/823223604.db2.gz WRCCRSJJYXAQPL-UHFFFAOYSA-N 1 0 376.298 4.247 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)Cn2ccc3ccc(Cl)cc32)C1 ZINC000409458058 823223618 /nfs/dbraw/zinc/22/36/18/823223618.db2.gz YUQGLGCKGRLTNF-OXQOHEQNSA-N 1 0 381.907 4.246 20 0 GIADRO CCOc1cc(C[N@@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)cc(Cl)c1O ZINC000459575109 823223740 /nfs/dbraw/zinc/22/37/40/823223740.db2.gz ZALUAINFSNYELK-NRFANRHFSA-N 1 0 393.886 4.011 20 0 GIADRO O=C(N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)C1(C(F)F)CCCC1 ZINC000571718978 823224157 /nfs/dbraw/zinc/22/41/57/823224157.db2.gz NDRIELYHVNDOEJ-MOPGFXCFSA-N 1 0 376.491 4.325 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)c2ccccc2COC2CCOCC2)cc1 ZINC000188351037 823224278 /nfs/dbraw/zinc/22/42/78/823224278.db2.gz OQKNDYKBZTZPKQ-UHFFFAOYSA-N 1 0 396.531 4.476 20 0 GIADRO CCOc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)cc(Br)c1O ZINC000459585664 823225458 /nfs/dbraw/zinc/22/54/58/823225458.db2.gz VDMXHMVHVIRPHL-USXIJHARSA-N 1 0 398.341 4.069 20 0 GIADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@@H](C)c2cccc(OC(C)C)c2)o1 ZINC000056867068 823225510 /nfs/dbraw/zinc/22/55/10/823225510.db2.gz DGVYFFAZYDEYLI-SFHVURJKSA-N 1 0 387.524 4.210 20 0 GIADRO CC[C@H](NC(=O)N1CCC(CC[NH+](C)C)CC1)c1ccccc1OC(F)F ZINC000056867397 823225572 /nfs/dbraw/zinc/22/55/72/823225572.db2.gz NTRLKLWSQUFJPG-KRWDZBQOSA-N 1 0 383.483 4.112 20 0 GIADRO Cc1c2ccccc2oc1[C@@H](C)[NH2+][C@@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000571724869 823225658 /nfs/dbraw/zinc/22/56/58/823225658.db2.gz FQKKDJGDYMYRFE-AUUYWEPGSA-N 1 0 384.501 4.117 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(CSc3nc[nH]n3)cc2)cc1 ZINC000188360457 823225858 /nfs/dbraw/zinc/22/58/58/823225858.db2.gz CCBKIRBCZPUNJJ-UHFFFAOYSA-N 1 0 395.532 4.191 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000056868814 823225905 /nfs/dbraw/zinc/22/59/05/823225905.db2.gz IBCINCAEWLATGL-XLIONFOSSA-N 1 0 393.959 4.078 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1C[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000459589671 823226243 /nfs/dbraw/zinc/22/62/43/823226243.db2.gz MHPYNHPGGAPGRA-UHFFFAOYSA-N 1 0 380.439 4.328 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)c2cn(C)nc2-c2ccccc2OC)cc1 ZINC000188367502 823227256 /nfs/dbraw/zinc/22/72/56/823227256.db2.gz DYEHSFITUNOENX-UHFFFAOYSA-N 1 0 392.503 4.190 20 0 GIADRO CSc1ccc([C@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccc(C)o2)cc1 ZINC000056882150 823227524 /nfs/dbraw/zinc/22/75/24/823227524.db2.gz VBCZTSOQPHAPJC-INIZCTEOSA-N 1 0 375.538 4.144 20 0 GIADRO C[C@H](CCCc1cccnc1)[NH2+][C@H](C)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000459630497 823232711 /nfs/dbraw/zinc/23/27/11/823232711.db2.gz AMTJHVUXJIWXGA-IAGOWNOFSA-N 1 0 396.560 4.039 20 0 GIADRO O=C(COc1ccsc1Cl)NC[C@H](NCc1ccccc1)c1ccco1 ZINC000571748727 823229273 /nfs/dbraw/zinc/22/92/73/823229273.db2.gz FFBNXKQUTCEILW-HNNXBMFYSA-N 1 0 390.892 4.021 20 0 GIADRO C[C@@H](C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)c1ccc(C(F)(F)F)cc1 ZINC000409477012 823229401 /nfs/dbraw/zinc/22/94/01/823229401.db2.gz ILEHASBTIFOLNF-ACJLOTCBSA-N 1 0 382.401 4.367 20 0 GIADRO CC(C)CC[NH+]1CCC(CNC(=O)c2cccc(-c3noc(C4CC4)n3)c2)CC1 ZINC000176541363 823232832 /nfs/dbraw/zinc/23/28/32/823232832.db2.gz ZJDGZEZJVZPLDY-UHFFFAOYSA-N 1 0 396.535 4.102 20 0 GIADRO CC[C@]1(CO)CCCN(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC000188384869 823230943 /nfs/dbraw/zinc/23/09/43/823230943.db2.gz JUQRLKZILWKWLD-QHCPKHFHSA-N 1 0 387.568 4.468 20 0 GIADRO COCC1(C)C[NH+](Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)C1 ZINC000459624809 823231558 /nfs/dbraw/zinc/23/15/58/823231558.db2.gz UZLRHARAIGJHSO-UHFFFAOYSA-N 1 0 377.488 4.016 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1cncc(F)c1)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000459624243 823231699 /nfs/dbraw/zinc/23/16/99/823231699.db2.gz SLEPMCMHRFWPOJ-QJPTWQEYSA-N 1 0 384.282 4.444 20 0 GIADRO C[C@H](c1ccco1)N(C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)C1CC1 ZINC000121696290 823232077 /nfs/dbraw/zinc/23/20/77/823232077.db2.gz CZKHMKFTMZAHPM-MRXNPFEDSA-N 1 0 385.483 4.318 20 0 GIADRO CC(C)CC[NH+]1CCC(CNC(=O)c2cc(F)ccc2Br)CC1 ZINC000176542428 823233156 /nfs/dbraw/zinc/23/31/56/823233156.db2.gz FSQURVWUYGYOLP-UHFFFAOYSA-N 1 0 385.321 4.076 20 0 GIADRO FC(F)(F)[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)n[nH]2)CC12CCOCC2 ZINC000459646049 823237336 /nfs/dbraw/zinc/23/73/36/823237336.db2.gz HSIHTTIQTOFOLW-SFHVURJKSA-N 1 0 379.426 4.258 20 0 GIADRO CC(C)N(C)c1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)cn1 ZINC000459646142 823237375 /nfs/dbraw/zinc/23/73/75/823237375.db2.gz ICYGSMNQQUTUIK-QGZVFWFLSA-N 1 0 385.474 4.107 20 0 GIADRO C[C@@H]([NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl)c1nc2c(s1)CCC2 ZINC000459636113 823234884 /nfs/dbraw/zinc/23/48/84/823234884.db2.gz PYKITPFEGNMYJW-PWSUYJOCSA-N 1 0 387.332 4.029 20 0 GIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(C)(C)Cc2nc3ccccc3[nH]2)C1 ZINC000409511114 823237655 /nfs/dbraw/zinc/23/76/55/823237655.db2.gz VDSIJYVBZYLPQC-PKOBYXMFSA-N 1 0 390.531 4.083 20 0 GIADRO C[C@@H]([NH2+]CC[S@@](=O)c1cc(Cl)ccc1Cl)c1nc2c(s1)CCC2 ZINC000459642760 823236307 /nfs/dbraw/zinc/23/63/07/823236307.db2.gz ZPSGEJSSXHSSDM-DJNLSKAYSA-N 1 0 389.373 4.397 20 0 GIADRO FC(F)(F)[C@H]1CC[N@H+](Cc2cnc(-c3ccccc3)[nH]2)CC12CCOCC2 ZINC000459646465 823237704 /nfs/dbraw/zinc/23/77/04/823237704.db2.gz IJQVNXMFDARARM-KRWDZBQOSA-N 1 0 379.426 4.258 20 0 GIADRO C[C@H](Cc1ccc(Br)cc1)[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000188413163 823236463 /nfs/dbraw/zinc/23/64/63/823236463.db2.gz MHXZWLQJIWVXTN-APMMTJHUSA-N 1 0 389.337 4.195 20 0 GIADRO Cc1ncc(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)n1-c1ccccc1 ZINC000459643409 823236453 /nfs/dbraw/zinc/23/64/53/823236453.db2.gz CQVVXAMANCZKMF-IBGZPJMESA-N 1 0 393.453 4.362 20 0 GIADRO CCOc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@H](C)CCCc2cccnc2)cc1 ZINC000459644237 823236688 /nfs/dbraw/zinc/23/66/88/823236688.db2.gz WUOZGDJIPLJFCH-AUSIDOKSSA-N 1 0 395.547 4.145 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@H](C)c1nc2c(s1)CCC2 ZINC000459644609 823236752 /nfs/dbraw/zinc/23/67/52/823236752.db2.gz FHMPZKMIIUZAIW-VXGBXAGGSA-N 1 0 393.940 4.362 20 0 GIADRO COc1cc2c(c(C[N@@H+]3CC[C@H](C(F)(F)F)C4(CCOCC4)C3)c1)O[C@@H](C)C2 ZINC000459644692 823237115 /nfs/dbraw/zinc/23/71/15/823237115.db2.gz FPBPNJZPAVUCRY-KSSFIOAISA-N 1 0 399.453 4.200 20 0 GIADRO COc1cc(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)ccc1Cl ZINC000121727358 823238004 /nfs/dbraw/zinc/23/80/04/823238004.db2.gz WTFUYEUZWWIKGT-UHFFFAOYSA-N 1 0 390.936 4.458 20 0 GIADRO CC[N@@H+]1CCCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C2CC2)CC1 ZINC000571810818 823238095 /nfs/dbraw/zinc/23/80/95/823238095.db2.gz NRKAOFWWSPMIFT-UHFFFAOYSA-N 1 0 397.567 4.156 20 0 GIADRO COCCOCc1ccc(C[NH2+][C@@H]2CCc3sc(Br)cc32)cc1 ZINC000571813777 823238314 /nfs/dbraw/zinc/23/83/14/823238314.db2.gz RQCIXFNOJKJRBX-MRXNPFEDSA-N 1 0 396.350 4.451 20 0 GIADRO CCOc1c(Br)cc(C[NH2+][C@@H](C)c2cncc(F)c2)cc1OC ZINC000459649011 823238491 /nfs/dbraw/zinc/23/84/91/823238491.db2.gz LMAPGVBWVMUJRR-NSHDSACASA-N 1 0 383.261 4.241 20 0 GIADRO O=C(CCCCCc1ccc(F)cc1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000188431642 823240115 /nfs/dbraw/zinc/24/01/15/823240115.db2.gz HUEAZLNENNQKOJ-UHFFFAOYSA-N 1 0 383.511 4.104 20 0 GIADRO COc1cc(C[NH2+][C@@H]2C[C@H]2c2ccccc2F)ccc1OCc1ccncc1 ZINC000459655531 823240997 /nfs/dbraw/zinc/24/09/97/823240997.db2.gz IPNHKIZJXJGKFW-PZJWPPBQSA-N 1 0 378.447 4.454 20 0 GIADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)c1cnn(-c2cc(C)ccc2C)c1C)c1ccco1 ZINC000571832465 823241413 /nfs/dbraw/zinc/24/14/13/823241413.db2.gz QVPLQZLPWDYHOQ-PXNSSMCTSA-N 1 0 394.519 4.250 20 0 GIADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H](C)c1cncc(F)c1 ZINC000459656288 823241474 /nfs/dbraw/zinc/24/14/74/823241474.db2.gz VQFRLRRZULGMHP-RYUDHWBXSA-N 1 0 380.261 4.051 20 0 GIADRO CCCOC1(c2noc([C@@H]3CCC[N@H+](Cc4cccnc4)C3)n2)CCCCC1 ZINC000571840570 823243308 /nfs/dbraw/zinc/24/33/08/823243308.db2.gz DPICWYMJRFVBHY-LJQANCHMSA-N 1 0 384.524 4.430 20 0 GIADRO COc1ccc(NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1SC ZINC000459660726 823243464 /nfs/dbraw/zinc/24/34/64/823243464.db2.gz OYZFYVQUTBQAGR-SFHVURJKSA-N 1 0 385.533 4.376 20 0 GIADRO CCN(C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@@H](C)c1cccnc1 ZINC000571848961 823245209 /nfs/dbraw/zinc/24/52/09/823245209.db2.gz XRGFZLGXPPCQKW-UNMCSNQZSA-N 1 0 394.563 4.476 20 0 GIADRO Cc1ccccc1C1(C(=O)N2CCC([N@@H+]3CCc4ccccc4C3)CC2)CCC1 ZINC000409539297 823245658 /nfs/dbraw/zinc/24/56/58/823245658.db2.gz YWPJDPACTVONBL-UHFFFAOYSA-N 1 0 388.555 4.466 20 0 GIADRO O=C(CCC[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1)c1ccc(F)cc1 ZINC000459672045 823247761 /nfs/dbraw/zinc/24/77/61/823247761.db2.gz XBDUKNNPPVOPPS-GOSISDBHSA-N 1 0 387.417 4.470 20 0 GIADRO COC[C@@H]([NH2+][C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21)C1CCOCC1 ZINC000188475732 823246579 /nfs/dbraw/zinc/24/65/79/823246579.db2.gz NJJBGTQBVMQOLB-QZTJIDSGSA-N 1 0 390.524 4.358 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+]C1CCC(O)(c3cccnc3)CC1)CCCS2 ZINC000188481681 823247995 /nfs/dbraw/zinc/24/79/95/823247995.db2.gz NHMSZCXGANOPJG-LVKMRUPZSA-N 1 0 384.545 4.437 20 0 GIADRO CO[C@@H](C)c1nc(C)c(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)s1 ZINC000176610801 823248163 /nfs/dbraw/zinc/24/81/63/823248163.db2.gz QCSORUXVAJOMFX-UXDRXVOSSA-N 1 0 399.560 4.084 20 0 GIADRO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000459680806 823249595 /nfs/dbraw/zinc/24/95/95/823249595.db2.gz RJXYYMXMHFSADU-NQSCKRDGSA-N 1 0 376.500 4.182 20 0 GIADRO COCC[NH2+]C1CCN(C(=O)Nc2cccc(Cl)c2SC(C)C)CC1 ZINC000571887567 823249786 /nfs/dbraw/zinc/24/97/86/823249786.db2.gz CSVHBUQBRAGWJE-UHFFFAOYSA-N 1 0 385.961 4.073 20 0 GIADRO c1c2c(sc1-c1nnc(CN3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)o1)CCCC2 ZINC000121782328 823250173 /nfs/dbraw/zinc/25/01/73/823250173.db2.gz KFRMZQNFEKUVIX-SJLPKXTDSA-N 1 0 398.576 4.126 20 0 GIADRO CC(C)Oc1ccc([C@@H](CNC(=O)CC2CC(OC(C)(C)C)C2)[NH+](C)C)cc1 ZINC000571907193 823252594 /nfs/dbraw/zinc/25/25/94/823252594.db2.gz JJWLLJHXAVUCDQ-FBPXKMNZSA-N 1 0 390.568 4.177 20 0 GIADRO CC[C@@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccncc1 ZINC000176621184 823250773 /nfs/dbraw/zinc/25/07/73/823250773.db2.gz FGZCHNXSIPMGJG-LQCXBHPOSA-N 1 0 378.520 4.028 20 0 GIADRO C[C@@H](C(=O)NCc1ccc(C[NH+](C)C)c(F)c1)c1ccc(Br)s1 ZINC000121787694 823251381 /nfs/dbraw/zinc/25/13/81/823251381.db2.gz OCAOIHYKDWIXCP-LLVKDONJSA-N 1 0 399.329 4.131 20 0 GIADRO COc1ccc(NC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1SC ZINC000459692108 823251504 /nfs/dbraw/zinc/25/15/04/823251504.db2.gz YUOQGWAGKHVTEZ-QGZVFWFLSA-N 1 0 385.533 4.061 20 0 GIADRO CCCCOc1ccc([C@H](C)[NH2+]CCS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000571903442 823251727 /nfs/dbraw/zinc/25/17/27/823251727.db2.gz VZVMJZHLDVWHMC-INIZCTEOSA-N 1 0 379.497 4.129 20 0 GIADRO C[N@H+](CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000459692959 823251827 /nfs/dbraw/zinc/25/18/27/823251827.db2.gz ILVAQVNRVITLNG-YLJYHZDGSA-N 1 0 399.922 4.036 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)N[C@H](CC(F)(F)F)c1ccccc1)c1cccc(F)c1 ZINC000057131355 823253292 /nfs/dbraw/zinc/25/32/92/823253292.db2.gz VMCYJTDXMXOIBL-MSOLQXFVSA-N 1 0 397.416 4.421 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N[C@@H](CC(F)(F)F)c1ccccc1 ZINC000057131386 823253582 /nfs/dbraw/zinc/25/35/82/823253582.db2.gz KEGMTBANCRLIQT-IRXDYDNUSA-N 1 0 395.425 4.409 20 0 GIADRO C[C@H](CNC(=O)N1CCC(c2nc3ccccc3s2)CC1)[NH+]1CCCCC1 ZINC000057165977 823257774 /nfs/dbraw/zinc/25/77/74/823257774.db2.gz SFLUMGPDRCZNRZ-MRXNPFEDSA-N 1 0 386.565 4.060 20 0 GIADRO C[NH+](C)CCOc1ccccc1-c1noc(CCc2cnc3ccccc3c2)n1 ZINC000571921639 823254447 /nfs/dbraw/zinc/25/44/47/823254447.db2.gz BTYXPJNRISXZAZ-UHFFFAOYSA-N 1 0 388.471 4.010 20 0 GIADRO Cc1csc(N2CCC([NH2+][C@H](C)c3ccc(NC(=O)C4CC4)cc3)CC2)n1 ZINC000121803859 823254709 /nfs/dbraw/zinc/25/47/09/823254709.db2.gz JNPFYQXJRRCMLX-OAHLLOKOSA-N 1 0 384.549 4.120 20 0 GIADRO OC[C@H](C[NH2+]C1CCC(C(F)F)CC1)Cc1cc(F)cc(Br)c1 ZINC000459708266 823254809 /nfs/dbraw/zinc/25/48/09/823254809.db2.gz SLFUKKDOAQUKFY-FUJMWEONSA-N 1 0 394.275 4.153 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@@H](C)Cc2ccccc2C)ccc1S(=O)(=O)C(F)F ZINC000177907227 823544484 /nfs/dbraw/zinc/54/44/84/823544484.db2.gz PTTCLFJDNKDNGY-GJZGRUSLSA-N 1 0 397.487 4.282 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)[NH2+]CC2CCN(CC(F)(F)F)CC2)cc1 ZINC000188520544 823255443 /nfs/dbraw/zinc/25/54/43/823255443.db2.gz XTHNBEPKOXOLIJ-HNNXBMFYSA-N 1 0 380.458 4.106 20 0 GIADRO CCc1nc(NC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)sc1C(C)(C)C ZINC000459715157 823255487 /nfs/dbraw/zinc/25/54/87/823255487.db2.gz VPQURYLOUTUVCX-OAHLLOKOSA-N 1 0 378.586 4.199 20 0 GIADRO CC(C)[C@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1nc2ccccc2[nH]1 ZINC000057154395 823256062 /nfs/dbraw/zinc/25/60/62/823256062.db2.gz CZVWRVFNUZLLPJ-QFIPXVFZSA-N 1 0 390.531 4.288 20 0 GIADRO C[NH+](C)CCCCCCCNC(=O)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000188522844 823256238 /nfs/dbraw/zinc/25/62/38/823256238.db2.gz YYSDXJPDRIAIBQ-LJQANCHMSA-N 1 0 399.938 4.074 20 0 GIADRO O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000057155702 823256666 /nfs/dbraw/zinc/25/66/66/823256666.db2.gz QQISQDCSQVLBQJ-GOSISDBHSA-N 1 0 391.490 4.104 20 0 GIADRO CC[NH+](CC)CCOc1ccc(CNC(=O)Nc2nc3ccccc3s2)cc1 ZINC000409594274 823256754 /nfs/dbraw/zinc/25/67/54/823256754.db2.gz ATBFLBQURSCHOX-UHFFFAOYSA-N 1 0 398.532 4.339 20 0 GIADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)C1(c2ccccc2Br)CC1 ZINC000190161053 823544550 /nfs/dbraw/zinc/54/45/50/823544550.db2.gz CMHCYXHABUWORI-OAHLLOKOSA-N 1 0 381.358 4.107 20 0 GIADRO Fc1cccc(C[N@@H+]2CCC[C@H](c3nc([C@@H]4COc5ccccc5O4)no3)C2)c1 ZINC000571935352 823256830 /nfs/dbraw/zinc/25/68/30/823256830.db2.gz KRXSRVZVRYVMQH-JXFKEZNVSA-N 1 0 395.434 4.101 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000057167244 823257538 /nfs/dbraw/zinc/25/75/38/823257538.db2.gz ISBLJYJVWSGHIG-UHFFFAOYSA-N 1 0 397.950 4.328 20 0 GIADRO CCOc1cc(C[NH2+][C@@]2(C)CC=CCC2)ccc1OCC(=O)N1CCCCC1 ZINC000459743415 823259113 /nfs/dbraw/zinc/25/91/13/823259113.db2.gz CICWRGPXQZXYMH-QHCPKHFHSA-N 1 0 386.536 4.065 20 0 GIADRO CCOCCOCc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000057175228 823259301 /nfs/dbraw/zinc/25/93/01/823259301.db2.gz SNUQTMDGBWLZOV-QFIPXVFZSA-N 1 0 396.531 4.090 20 0 GIADRO CCc1noc([C@H](C)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)n1 ZINC000459747971 823259780 /nfs/dbraw/zinc/25/97/80/823259780.db2.gz HNDMZJYNAQDTQS-ORYQWCPZSA-N 1 0 394.494 4.090 20 0 GIADRO CCc1noc([C@@H](C)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)n1 ZINC000459747973 823259874 /nfs/dbraw/zinc/25/98/74/823259874.db2.gz HNDMZJYNAQDTQS-TYCQWZJGSA-N 1 0 394.494 4.090 20 0 GIADRO Cc1ccc(C[NH2+][C@@H]2CCO[C@H]2c2cncc(Br)c2)cc1Cl ZINC000459750871 823260326 /nfs/dbraw/zinc/26/03/26/823260326.db2.gz AMKPFSMJSPKWJR-SJORKVTESA-N 1 0 381.701 4.426 20 0 GIADRO O=C(NC[C@@H](Cc1ccccc1)c1ccccc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000176662025 823260559 /nfs/dbraw/zinc/26/05/59/823260559.db2.gz LKUBFEFYERVRBN-LADGPHEKSA-N 1 0 391.559 4.140 20 0 GIADRO O=C(NC[C@H](Cc1ccccc1)c1ccccc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000176661969 823260632 /nfs/dbraw/zinc/26/06/32/823260632.db2.gz LKUBFEFYERVRBN-VWNXMTODSA-N 1 0 391.559 4.140 20 0 GIADRO COc1ccc([C@H](CO)C[NH2+]C2CC(c3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000459752359 823260726 /nfs/dbraw/zinc/26/07/26/823260726.db2.gz OSGRFVKGENKGMG-HFCFLWKCSA-N 1 0 379.422 4.326 20 0 GIADRO C[C@@H]1[C@@H]([NH2+][C@@H]2CCO[C@H]2c2cncc(Br)c2)C[C@@H]1c1ccccc1 ZINC000459757913 823261222 /nfs/dbraw/zinc/26/12/22/823261222.db2.gz IAGGFRROLXBEHD-WUTPFUBCSA-N 1 0 387.321 4.456 20 0 GIADRO Fc1ccc(/C=C/C[NH2+][C@@H]2CCO[C@H]2c2cncc(Br)c2)cc1 ZINC000459760911 823261580 /nfs/dbraw/zinc/26/15/80/823261580.db2.gz KHVBGDGOZXKWTR-MNSDHWDNSA-N 1 0 377.257 4.116 20 0 GIADRO O=C(Nc1cc(Cl)ccc1O)C1CC[NH+](CC2Cc3ccccc3C2)CC1 ZINC000571966104 823261737 /nfs/dbraw/zinc/26/17/37/823261737.db2.gz HCBAQIDTVQHKMM-UHFFFAOYSA-N 1 0 384.907 4.111 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Nc1cccc(-c2noc(C3CC3)n2)c1)c1cccs1 ZINC000176666588 823262084 /nfs/dbraw/zinc/26/20/84/823262084.db2.gz RLUZXOFKAICSEI-INIZCTEOSA-N 1 0 397.504 4.100 20 0 GIADRO Cc1cccc(NC(=O)C(=O)Nc2cccc3c2C[N@H+]([C@H](C)C(C)C)C3)c1C ZINC000188562659 823262463 /nfs/dbraw/zinc/26/24/63/823262463.db2.gz SODYQDGESVXRNV-QGZVFWFLSA-N 1 0 379.504 4.241 20 0 GIADRO C[C@H](CCc1ccccc1)[NH2+][C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000459770915 823262911 /nfs/dbraw/zinc/26/29/11/823262911.db2.gz SXJMVLRXBMUSNL-ZMYBRWDISA-N 1 0 375.310 4.285 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@@H]1CCCC(F)(F)C1 ZINC000409619770 823263592 /nfs/dbraw/zinc/26/35/92/823263592.db2.gz GTAPYJGFJUZBPT-BHIYHBOVSA-N 1 0 379.495 4.022 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)C1(c2ccc(F)cc2)CCOCC1)c1ccccc1 ZINC000057196581 823263651 /nfs/dbraw/zinc/26/36/51/823263651.db2.gz BGLSOGDQFQCADM-QFIPXVFZSA-N 1 0 398.522 4.073 20 0 GIADRO O=C(C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000459782244 823264460 /nfs/dbraw/zinc/26/44/60/823264460.db2.gz OQDJAJYMVHCIMB-JYYAWHABSA-N 1 0 385.558 4.266 20 0 GIADRO CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@H+](C)C[C@H](C)C(=O)OC(C)(C)C ZINC000459787753 823265137 /nfs/dbraw/zinc/26/51/37/823265137.db2.gz CVVDDMOEUPZRHR-JKSUJKDBSA-N 1 0 376.541 4.048 20 0 GIADRO Cc1cccc([C@H]2CCCN2C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)n1 ZINC000571982752 823265245 /nfs/dbraw/zinc/26/52/45/823265245.db2.gz DRTOKMMFAKUIBD-QGZVFWFLSA-N 1 0 378.398 4.237 20 0 GIADRO Cc1c2cccc(Cl)c2oc1C(=O)NCCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000176690505 823268940 /nfs/dbraw/zinc/26/89/40/823268940.db2.gz MHJFMYFLCPLJOS-OKILXGFUSA-N 1 0 378.900 4.014 20 0 GIADRO CCCCOc1ccc(-c2nnc(C[N@@H+]3CC[C@@H](O)[C@H](C4CCCC4)C3)o2)cc1 ZINC000459791087 823265428 /nfs/dbraw/zinc/26/54/28/823265428.db2.gz HIBOVVYQFPQGGF-LEWJYISDSA-N 1 0 399.535 4.289 20 0 GIADRO O[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3F)nc2)C[C@H]1C1CCCC1 ZINC000459789948 823265486 /nfs/dbraw/zinc/26/54/86/823265486.db2.gz GKEVAHXWYONCNL-RBBKRZOGSA-N 1 0 384.495 4.173 20 0 GIADRO CC[C@](C)(O)C[N@H+](Cc1ccccc1)Cc1ccc(OCc2noc(C)n2)cc1 ZINC000188580696 823265422 /nfs/dbraw/zinc/26/54/22/823265422.db2.gz FYSYTIKBOIEFJV-QHCPKHFHSA-N 1 0 395.503 4.120 20 0 GIADRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)NC[C@@H]1CCCC(F)(F)C1 ZINC000409626662 823265581 /nfs/dbraw/zinc/26/55/81/823265581.db2.gz JKSPJDOYBYYNPI-HZPDHXFCSA-N 1 0 385.524 4.085 20 0 GIADRO Cc1ccc([C@@H]([NH2+]C[C@H]2CCC=CO2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000188580559 823265608 /nfs/dbraw/zinc/26/56/08/823265608.db2.gz RSXUDEVMCSWNCK-KNQAVFIVSA-N 1 0 385.529 4.079 20 0 GIADRO C=CC(=O)NCc1ccc(C(=O)Nc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)cc1 ZINC000057216374 823265651 /nfs/dbraw/zinc/26/56/51/823265651.db2.gz MZZDVISYXSZHHV-GOSISDBHSA-N 1 0 391.515 4.116 20 0 GIADRO Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)cc1 ZINC000572010865 823268989 /nfs/dbraw/zinc/26/89/89/823268989.db2.gz SKZLSMCFZCHAMA-PGRDOPGGSA-N 1 0 397.494 4.069 20 0 GIADRO C[C@@H](CCCOc1ccccc1C(N)=O)[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000121870927 823267004 /nfs/dbraw/zinc/26/70/04/823267004.db2.gz RQOZTFZSJAHJQJ-KSSFIOAISA-N 1 0 388.508 4.299 20 0 GIADRO CC(C)OCC[NH+]1CCC(NC(=O)c2ccccc2Oc2ccccc2)CC1 ZINC000176692623 823269209 /nfs/dbraw/zinc/26/92/09/823269209.db2.gz HEVRPCWVPUBLIX-UHFFFAOYSA-N 1 0 382.504 4.098 20 0 GIADRO CCc1sc(-c2nnc(C[N@@H+]3CC4(CCC4)[C@@H]3C3CCOCC3)o2)cc1C ZINC000571995419 823267303 /nfs/dbraw/zinc/26/73/03/823267303.db2.gz NVVQDRLNNYQHFK-IBGZPJMESA-N 1 0 387.549 4.450 20 0 GIADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)c1[nH]c2ccc(F)cc2c1Cl ZINC000057230030 823267487 /nfs/dbraw/zinc/26/74/87/823267487.db2.gz MZNVOUUIFMRPDZ-UHFFFAOYSA-N 1 0 395.931 4.052 20 0 GIADRO Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000176686646 823268073 /nfs/dbraw/zinc/26/80/73/823268073.db2.gz NKWRQXQAEIERPB-IBGZPJMESA-N 1 0 389.584 4.071 20 0 GIADRO CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]Cc1cccnc1N1CCOCC1 ZINC000121876534 823268322 /nfs/dbraw/zinc/26/83/22/823268322.db2.gz UJPSCEYOEMWKPW-NRFANRHFSA-N 1 0 381.520 4.045 20 0 GIADRO CC(C)OCC[NH+]1CCC(NC(=O)c2ccccc2CCc2ccccc2)CC1 ZINC000176688235 823268292 /nfs/dbraw/zinc/26/82/92/823268292.db2.gz LTLMDNNMPYGIPF-UHFFFAOYSA-N 1 0 394.559 4.091 20 0 GIADRO CSc1cc(C(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)ccc1F ZINC000572006878 823268531 /nfs/dbraw/zinc/26/85/31/823268531.db2.gz MDDLCSBLIAJHSJ-JOCHJYFZSA-N 1 0 384.520 4.286 20 0 GIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ccc(Cc3nnc4n3CCC4)cc2)C1 ZINC000188596718 823269462 /nfs/dbraw/zinc/26/94/62/823269462.db2.gz JCMIGDFVCAGRAL-AVRDEDQJSA-N 1 0 387.531 4.063 20 0 GIADRO CCN(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)Cc1ccc(Cl)cc1 ZINC000409638267 823269605 /nfs/dbraw/zinc/26/96/05/823269605.db2.gz KHHLESUKOOOLOA-UHFFFAOYSA-N 1 0 399.966 4.074 20 0 GIADRO C[C@H]1C[NH+](CCCCNC(=O)CC(c2ccccc2)c2ccccc2)C[C@H](C)O1 ZINC000176695632 823269832 /nfs/dbraw/zinc/26/98/32/823269832.db2.gz UXABJPLAHWTYDB-SFTDATJTSA-N 1 0 394.559 4.214 20 0 GIADRO CC(C)Sc1ccccc1C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000057274181 823274438 /nfs/dbraw/zinc/27/44/38/823274438.db2.gz VYCIDTDINZALLO-UHFFFAOYSA-N 1 0 383.561 4.187 20 0 GIADRO COc1cc(OC)c(OC)cc1C[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000572051337 823274662 /nfs/dbraw/zinc/27/46/62/823274662.db2.gz LUEBKBZXYYIZMC-LBPRGKRZSA-N 1 0 398.322 4.314 20 0 GIADRO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)N(Cc1ccco1)Cc1ccco1 ZINC000121898053 823272439 /nfs/dbraw/zinc/27/24/39/823272439.db2.gz WQIYMGQYAHFIQL-FQEVSTJZSA-N 1 0 393.487 4.249 20 0 GIADRO CC[NH+](CC)CCOc1ccc(CNC(=O)c2c(F)cccc2SC)cc1 ZINC000409645973 823272560 /nfs/dbraw/zinc/27/25/60/823272560.db2.gz XEEHGEIMVFLKFH-UHFFFAOYSA-N 1 0 390.524 4.198 20 0 GIADRO Oc1ccc(Br)cc1/C=N/C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000005293114 817569889 /nfs/dbraw/zinc/56/98/89/817569889.db2.gz YOGJXTFYVGDGGC-BKQORJHRSA-N 1 0 379.323 4.472 20 0 GIADRO COC(=O)c1ccccc1-c1ccc(C[N@@H+]2CCC[C@H]2c2c(C)n[nH]c2C)o1 ZINC000572047636 823273830 /nfs/dbraw/zinc/27/38/30/823273830.db2.gz QGLRKRRNEIRCLU-IBGZPJMESA-N 1 0 379.460 4.410 20 0 GIADRO CCCOc1ccc(C[N@@H+]2CC[C@@H](OCc3c(C)noc3C)C2)cc1OCC ZINC000572047762 823273951 /nfs/dbraw/zinc/27/39/51/823273951.db2.gz VBHDJSIWKSPFOY-LJQANCHMSA-N 1 0 388.508 4.270 20 0 GIADRO O=S1(=O)CCC[C@@H](C[NH2+][C@@H](Cc2ccc(Cl)cc2)C2CCCCC2)C1 ZINC000572053947 823275036 /nfs/dbraw/zinc/27/50/36/823275036.db2.gz ZCGWRKJIHRVPNS-PXNSSMCTSA-N 1 0 383.985 4.246 20 0 GIADRO COc1cc2ccnc(NCCc3nccn3Cc3ccccc3)c2cc1F ZINC000572073521 823278167 /nfs/dbraw/zinc/27/81/67/823278167.db2.gz RUYVVZSPNMGZEJ-UHFFFAOYSA-N 1 0 376.435 4.282 20 0 GIADRO C[C@H]1CCC[N@H+](CCCCNC(=O)CCc2cccc(Br)c2)C1 ZINC000121925401 823278191 /nfs/dbraw/zinc/27/81/91/823278191.db2.gz PGWJNSQIYBVRDC-INIZCTEOSA-N 1 0 381.358 4.010 20 0 GIADRO CC[NH+](CC)[C@H](c1nc(-c2ccc(Cn3cccn3)cc2)no1)c1ccccc1 ZINC000572077152 823278736 /nfs/dbraw/zinc/27/87/36/823278736.db2.gz VCMIOXQTEHPIQB-NRFANRHFSA-N 1 0 387.487 4.413 20 0 GIADRO O=C(c1ccc(Oc2cccc(Cl)c2Cl)nc1)N1CC[NH+]2CCC1CC2 ZINC000188642900 823279293 /nfs/dbraw/zinc/27/92/93/823279293.db2.gz CRTIUMGERQRMIO-UHFFFAOYSA-N 1 0 392.286 4.101 20 0 GIADRO CC[C@@H](NC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1)c1c(C)noc1C ZINC000121933933 823279703 /nfs/dbraw/zinc/27/97/03/823279703.db2.gz NWRISFKGCKHKAQ-OAQYLSRUSA-N 1 0 398.551 4.474 20 0 GIADRO CCCc1occc1C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000409671513 823279845 /nfs/dbraw/zinc/27/98/45/823279845.db2.gz ZUGXHLVUAZXSFJ-MRXNPFEDSA-N 1 0 387.499 4.004 20 0 GIADRO CNC(=O)c1ccc(C[N@H+](C)Cc2ccc(Br)c(Cl)c2)cc1 ZINC000188648242 823279849 /nfs/dbraw/zinc/27/98/49/823279849.db2.gz APUGMEKGNROWOH-UHFFFAOYSA-N 1 0 381.701 4.094 20 0 GIADRO Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)c1C ZINC000188623507 823275112 /nfs/dbraw/zinc/27/51/12/823275112.db2.gz IGJLGIGCEFCZNZ-URLQWDBASA-N 1 0 386.458 4.094 20 0 GIADRO CC(C)OCc1cc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)ccc1O ZINC000572055856 823275388 /nfs/dbraw/zinc/27/53/88/823275388.db2.gz OXCYXZCBSNSAEW-UHFFFAOYSA-N 1 0 382.504 4.168 20 0 GIADRO Cc1nc(CC2CC2)sc1C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000188628250 823276046 /nfs/dbraw/zinc/27/60/46/823276046.db2.gz WEYKBGZTASBYCC-UHFFFAOYSA-N 1 0 398.576 4.178 20 0 GIADRO CCn1c(-c2ccccc2F)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000572062569 823276544 /nfs/dbraw/zinc/27/65/44/823276544.db2.gz RDVKZDVCBCGHCP-SFHVURJKSA-N 1 0 385.531 4.052 20 0 GIADRO O=C(C(Cc1ccccc1)Cc1ccccc1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000409661354 823276650 /nfs/dbraw/zinc/27/66/50/823276650.db2.gz MAMHPCLXBAHQIO-XMMPIXPASA-N 1 0 376.544 4.175 20 0 GIADRO CC(C)c1ncc(Cl)c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000176723586 823277782 /nfs/dbraw/zinc/27/77/82/823277782.db2.gz IZDOBELXAPCZAL-WBVHZDCISA-N 1 0 386.927 4.036 20 0 GIADRO C[C@H]([NH2+]C[C@@](C)(O)C1CCCCC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000188665799 823282702 /nfs/dbraw/zinc/28/27/02/823282702.db2.gz FROJRGXPCYOELY-HTAPYJJXSA-N 1 0 393.593 4.385 20 0 GIADRO C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](c2ccncc2)C1)c1ccc(Cl)cc1Cl ZINC000572100119 823283239 /nfs/dbraw/zinc/28/32/39/823283239.db2.gz MJNKDUWGEGPMSY-UKRRQHHQSA-N 1 0 378.303 4.055 20 0 GIADRO COc1cccc2c1CC[C@H]2[NH2+][C@H](C)c1ccc(OC)c(Cn2cccn2)c1 ZINC000121949340 823283396 /nfs/dbraw/zinc/28/33/96/823283396.db2.gz NMCAKQWDGJXTNS-IIBYNOLFSA-N 1 0 377.488 4.287 20 0 GIADRO C[NH+](C)Cc1ccccc1CNC(=O)c1cc(Br)ccc1Cl ZINC000006992438 817736693 /nfs/dbraw/zinc/73/66/93/817736693.db2.gz KNSKGCZFWZALBW-UHFFFAOYSA-N 1 0 381.701 4.094 20 0 GIADRO CNC(=O)c1ccc(C[N@H+](C)Cc2c(-c3ccccc3)nc3sccn32)cc1 ZINC000007000497 817737973 /nfs/dbraw/zinc/73/79/73/817737973.db2.gz SLZNOBJNNZPLBA-UHFFFAOYSA-N 1 0 390.512 4.054 20 0 GIADRO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)CCc1cccc(C(F)(F)F)c1 ZINC000572126411 823287177 /nfs/dbraw/zinc/28/71/77/823287177.db2.gz DNASQPJVESAZGV-UHFFFAOYSA-N 1 0 393.453 4.014 20 0 GIADRO C[C@H](NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)c1c(F)cccc1F ZINC000460116564 823287517 /nfs/dbraw/zinc/28/75/17/823287517.db2.gz ZMHVTZIQULINDJ-UHOSZYNNSA-N 1 0 399.485 4.189 20 0 GIADRO O=C(CCCOc1cccc(Cl)c1Cl)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188696646 823287693 /nfs/dbraw/zinc/28/76/93/823287693.db2.gz WUFGTRYRXFADII-UHFFFAOYSA-N 1 0 379.287 4.072 20 0 GIADRO CC(C)c1cccc2c1OCCC[C@H]2[NH2+]Cc1ccc(CS(C)(=O)=O)cc1 ZINC000121978005 823287807 /nfs/dbraw/zinc/28/78/07/823287807.db2.gz JTJGQNGZAYYTIR-OAQYLSRUSA-N 1 0 387.545 4.358 20 0 GIADRO Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000572130425 823287821 /nfs/dbraw/zinc/28/78/21/823287821.db2.gz QHRRAKTYOWEKKV-DGCLKSJQSA-N 1 0 397.466 4.322 20 0 GIADRO CC(C)[C@@H](C)[N@@H+]1Cc2cccc(N[C@H](C)C(=O)N3CCc4ccccc43)c2C1 ZINC000572141802 823289297 /nfs/dbraw/zinc/28/92/97/823289297.db2.gz BJEJKSYANBBWIS-QZTJIDSGSA-N 1 0 377.532 4.436 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccnn2Cc2ccc(C(C)C)cc2)[C@H](C)C1 ZINC000460133421 823291656 /nfs/dbraw/zinc/29/16/56/823291656.db2.gz JJMDGLOOHSYQEN-NQIIRXRSSA-N 1 0 397.567 4.249 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)COc2cc(C)ccc2C(C)C)CC1 ZINC000007268518 817808554 /nfs/dbraw/zinc/80/85/54/817808554.db2.gz JZCYSFYOTGSYPN-UHFFFAOYSA-N 1 0 395.547 4.278 20 0 GIADRO CC(C)C[C@H](C)n1nccc1NC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000460126160 823289894 /nfs/dbraw/zinc/28/98/94/823289894.db2.gz UXBTWLBEYAQRNE-INIZCTEOSA-N 1 0 377.558 4.147 20 0 GIADRO Cc1cc(C)c(NC(=S)NC[C@@H](Cc2ccccc2)[NH+](C)C)c(Cl)c1 ZINC000007326308 817818460 /nfs/dbraw/zinc/81/84/60/817818460.db2.gz WZSHCEZSFFNEAS-QGZVFWFLSA-N 1 0 375.969 4.416 20 0 GIADRO CC(C)[C@@H]([NH2+]C[C@H](O)COCc1ccccc1Cl)c1nc2ccccc2[nH]1 ZINC000572149069 823290704 /nfs/dbraw/zinc/29/07/04/823290704.db2.gz QNMFLYYOVUYSJY-OXJNMPFZSA-N 1 0 387.911 4.081 20 0 GIADRO Cc1csc(CC[NH2+]Cc2cc(Br)ccc2OC(F)F)n1 ZINC000057399111 823290783 /nfs/dbraw/zinc/29/07/83/823290783.db2.gz YMUBWAFYFAEXIH-UHFFFAOYSA-N 1 0 377.254 4.148 20 0 GIADRO O=C(CSCc1ccc(Cl)cc1Cl)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188713508 823290905 /nfs/dbraw/zinc/29/09/05/823290905.db2.gz GGVJGNYLIGFXRK-UHFFFAOYSA-N 1 0 381.328 4.146 20 0 GIADRO CO[C@H]1CCN(Cc2ccc(-c3cccc(Br)c3)s2)[C@H](C[NH3+])C1 ZINC000572158479 823291786 /nfs/dbraw/zinc/29/17/86/823291786.db2.gz TZNDGHPZHQZMHJ-HOTGVXAUSA-N 1 0 395.366 4.116 20 0 GIADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2c2ccnc3c(Br)ccc(F)c23)C1 ZINC000409730001 823292462 /nfs/dbraw/zinc/29/24/62/823292462.db2.gz FURKJFCGCWMERA-DOMZBBRYSA-N 1 0 378.289 4.057 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)CCc2cn(C)c3ccccc23)CC1 ZINC000122008954 823292660 /nfs/dbraw/zinc/29/26/60/823292660.db2.gz DPYKNDFSHQQSCF-UHFFFAOYSA-N 1 0 389.543 4.200 20 0 GIADRO COc1ccc(SCC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000007448693 817844045 /nfs/dbraw/zinc/84/40/45/817844045.db2.gz BYGJPMASLLMAJD-UHFFFAOYSA-N 1 0 384.545 4.090 20 0 GIADRO COc1ccc([C@@H](C)C[N@@H+]2CCC[C@@H](c3nc(C(F)(F)F)cn3C)C2)cc1 ZINC000572165322 823292948 /nfs/dbraw/zinc/29/29/48/823292948.db2.gz AZAOXNFFAJCSEF-GOEBONIOSA-N 1 0 381.442 4.431 20 0 GIADRO C[N@@H+]1CCC[C@H]2CN(c3ccnc4c(Br)ccc(F)c34)CC[C@H]21 ZINC000409731289 823293205 /nfs/dbraw/zinc/29/32/05/823293205.db2.gz YSLZLOBLVUTZCK-SWLSCSKDSA-N 1 0 378.289 4.057 20 0 GIADRO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)C[C@H]1C=CCCC1 ZINC000188727082 823293922 /nfs/dbraw/zinc/29/39/22/823293922.db2.gz YUMCRSNBIRYZSM-FPOVZHCZSA-N 1 0 378.520 4.323 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)C[C@H](C)c3ccc(F)cc3)c(C)c2)CC1 ZINC000057421607 823293927 /nfs/dbraw/zinc/29/39/27/823293927.db2.gz HDBGQEDMWZLBSB-KRWDZBQOSA-N 1 0 383.511 4.408 20 0 GIADRO O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)c1cnc(C(F)(F)F)nc1 ZINC000188726788 823293986 /nfs/dbraw/zinc/29/39/86/823293986.db2.gz SXBDPFJQUJFQNK-UHFFFAOYSA-N 1 0 378.398 4.124 20 0 GIADRO C[C@H]([NH2+]C[C@H](c1c2ccccc2[nH]c1-c1ccccc1)c1ccccc1)C(N)=O ZINC000007546733 817865758 /nfs/dbraw/zinc/86/57/58/817865758.db2.gz YAFDUXVEHASZHS-UWJYYQICSA-N 1 0 383.495 4.430 20 0 GIADRO COc1ccc(NC(=S)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCCC2)cc1 ZINC000007585201 817874762 /nfs/dbraw/zinc/87/47/62/817874762.db2.gz CYFABTAAHYQONH-NRFANRHFSA-N 1 0 399.560 4.217 20 0 GIADRO CN(C)[C@@H](c1nc(-c2ccc(F)c(C[NH+](C)C)c2)no1)c1ccc(Cl)cc1 ZINC000572179492 823295541 /nfs/dbraw/zinc/29/55/41/823295541.db2.gz XEOFQMHAGLMAGN-GOSISDBHSA-N 1 0 388.874 4.242 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Cc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000007686441 817894932 /nfs/dbraw/zinc/89/49/32/817894932.db2.gz IMUWWCAKYFHVIQ-LJQANCHMSA-N 1 0 378.438 4.447 20 0 GIADRO C[C@H](NC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21)c1ccc(Oc2cccnc2)cc1 ZINC000572196013 823297982 /nfs/dbraw/zinc/29/79/82/823297982.db2.gz FCYPFCWSVBNHQH-LRXVAGHRSA-N 1 0 394.519 4.061 20 0 GIADRO CC(=O)Nc1ccc(C[NH2+]CCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000572191394 823297379 /nfs/dbraw/zinc/29/73/79/823297379.db2.gz RKRAWKLVLOUEGZ-UHFFFAOYSA-N 1 0 380.275 4.070 20 0 GIADRO O=C(CC[N@@H+]1CCC[C@@H](c2nccs2)C1)Nc1cccc(C(F)(F)F)c1 ZINC000176817102 823300991 /nfs/dbraw/zinc/30/09/91/823300991.db2.gz WXBOTXRYMDKLJD-CYBMUJFWSA-N 1 0 383.439 4.370 20 0 GIADRO COCc1c2ccccc2oc1C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000007850500 817937040 /nfs/dbraw/zinc/93/70/40/817937040.db2.gz UPROABSHEAKRRL-UHFFFAOYSA-N 1 0 392.499 4.495 20 0 GIADRO C[NH+](C)Cc1ccccc1CNC(=O)COc1ccc2oc3c(c2c1)CCCC3 ZINC000007923985 817959946 /nfs/dbraw/zinc/95/99/46/817959946.db2.gz DRKZRTLONIYCLD-UHFFFAOYSA-N 1 0 392.499 4.068 20 0 GIADRO COc1ccccc1[C@H](C[NH2+]Cc1ccccc1OCC1CC1)N1CCCC1 ZINC000409751321 823298834 /nfs/dbraw/zinc/29/88/34/823298834.db2.gz KNQVVODPIHKZBD-QFIPXVFZSA-N 1 0 380.532 4.411 20 0 GIADRO COc1ccc(SCC(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000007941332 817965791 /nfs/dbraw/zinc/96/57/91/817965791.db2.gz WOKSWTJRVXTUDQ-UHFFFAOYSA-N 1 0 384.545 4.090 20 0 GIADRO COc1cnccc1[C@H](C)[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000188762240 823299631 /nfs/dbraw/zinc/29/96/31/823299631.db2.gz BMEFWHIVRVVSHK-AWEZNQCLSA-N 1 0 377.891 4.198 20 0 GIADRO CC(C)[C@@H]([NH2+]CC(=O)NCCc1ccc(OC(F)F)cc1)c1ccc(F)cc1 ZINC000008004124 817979434 /nfs/dbraw/zinc/97/94/34/817979434.db2.gz JNTNUSJUPMTENC-HXUWFJFHSA-N 1 0 394.437 4.073 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccc(OC(F)(F)F)cc1 ZINC000008012231 817982872 /nfs/dbraw/zinc/98/28/72/817982872.db2.gz DAQCSNCNGFUHCC-UHFFFAOYSA-N 1 0 378.394 4.111 20 0 GIADRO c1ccc(-c2noc([C@@]34CCC[C@@H]3C[N@@H+](Cc3ccc5c(n3)CCC5)C4)n2)cc1 ZINC000572220882 823303572 /nfs/dbraw/zinc/30/35/72/823303572.db2.gz OEELEFSXMDOMIL-NTKDMRAZSA-N 1 0 386.499 4.174 20 0 GIADRO Cc1csc([C@H](NC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)C2CC2)n1 ZINC000176827958 823303995 /nfs/dbraw/zinc/30/39/95/823303995.db2.gz LMKSZLJGFMCVIK-OXJNMPFZSA-N 1 0 398.576 4.427 20 0 GIADRO CN(C(=O)Nc1ccc(Cl)cc1-c1nc(C2CCCC2)no1)C1CC([NH3+])C1 ZINC000572224410 823304041 /nfs/dbraw/zinc/30/40/41/823304041.db2.gz OAQBFLCNBUQHJX-UHFFFAOYSA-N 1 0 389.887 4.001 20 0 GIADRO O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)N1CCCc2occc2C1 ZINC000460171645 823304992 /nfs/dbraw/zinc/30/49/92/823304992.db2.gz OKFWOVFPEZAUAN-IBGZPJMESA-N 1 0 387.911 4.228 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(OCC(F)(F)F)cc1)C(=O)N1c2ccccc2C[C@H]1C ZINC000572229865 823305082 /nfs/dbraw/zinc/30/50/82/823305082.db2.gz ZEJVPLILCDVZNR-CABCVRRESA-N 1 0 392.421 4.084 20 0 GIADRO O=C(c1cc(Cl)ccc1OC1CCCC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000176835275 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4.117 20 0 GIADRO CSc1ccc([C@@H](C[NH2+]Cc2cn(-c3ccccc3)nc2C)N(C)C)cc1 ZINC000572252836 823308118 /nfs/dbraw/zinc/30/81/18/823308118.db2.gz XYPWFNUYLUMLHG-JOCHJYFZSA-N 1 0 380.561 4.295 20 0 GIADRO CCc1nc(C)c([C@H](C)[N@H+](C)Cc2cc(=O)oc3cc(NC(C)=O)ccc23)s1 ZINC000122116699 823308396 /nfs/dbraw/zinc/30/83/96/823308396.db2.gz JOWVQCRJAXWHDV-ZDUSSCGKSA-N 1 0 399.516 4.272 20 0 GIADRO CC[C@H](NC(=O)NC[C@H](c1ccsc1)[NH+](CC)CC)c1c(C)noc1C ZINC000122122393 823309284 /nfs/dbraw/zinc/30/92/84/823309284.db2.gz DOTVUCPCGFYNNM-DLBZAZTESA-N 1 0 378.542 4.186 20 0 GIADRO COc1ccc2oc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)c(C)c2c1 ZINC000057613185 823314761 /nfs/dbraw/zinc/31/47/61/823314761.db2.gz CHZOSTXVCSNUJZ-UHFFFAOYSA-N 1 0 378.472 4.144 20 0 GIADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1ccc(C)c(OC)c1C ZINC000176852533 823309844 /nfs/dbraw/zinc/30/98/44/823309844.db2.gz ASJUQEVASSIBOK-FQEVSTJZSA-N 1 0 396.535 4.225 20 0 GIADRO COc1ccc([C@H](NC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)C2CC2)cc1 ZINC000057566274 823310266 /nfs/dbraw/zinc/31/02/66/823310266.db2.gz APTPYTHXDVQVDJ-JTHBVZDNSA-N 1 0 393.531 4.110 20 0 GIADRO Cc1cc(C)cc(NC(=O)C(=O)Nc2cccc3c2C[N@H+]([C@@H](C)C(C)C)C3)c1 ZINC000188832894 823315023 /nfs/dbraw/zinc/31/50/23/823315023.db2.gz NMQHXETTZXAJGG-KRWDZBQOSA-N 1 0 379.504 4.241 20 0 GIADRO CCOc1ccc([C@@H](C)NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cc1OCC ZINC000057606242 823314103 /nfs/dbraw/zinc/31/41/03/823314103.db2.gz FPSQQELIBGCMRW-QGZVFWFLSA-N 1 0 391.556 4.061 20 0 GIADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)c2ccc(Cl)cc2F)[C@H](C)C1 ZINC000188827279 823314220 /nfs/dbraw/zinc/31/42/20/823314220.db2.gz JFLASPHZDIZPRQ-BEFAXECRSA-N 1 0 398.950 4.010 20 0 GIADRO O=C(Nc1cc(Cl)ccc1N1CCCCC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000176876909 823315765 /nfs/dbraw/zinc/31/57/65/823315765.db2.gz VLSGYSGPSRHGBH-KRWDZBQOSA-N 1 0 390.959 4.280 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(Cc3ccccc3C)n2CC(C)C)C1 ZINC000572298966 823316138 /nfs/dbraw/zinc/31/61/38/823316138.db2.gz JOJXHOJBWIBPDG-HXUWFJFHSA-N 1 0 383.584 4.001 20 0 GIADRO Cc1nc(CC(C)C)oc1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000188849025 823317024 /nfs/dbraw/zinc/31/70/24/823317024.db2.gz UENMXYXFTHGJAU-YLJYHZDGSA-N 1 0 383.536 4.307 20 0 GIADRO CCc1nc2cc(C[NH2+]Cc3cc(OC)c4c(c3)OCCO4)ccc2n1C1CC1 ZINC000572305635 823316962 /nfs/dbraw/zinc/31/69/62/823316962.db2.gz WLIUMYGJVPANDW-UHFFFAOYSA-N 1 0 393.487 4.003 20 0 GIADRO COc1cc2[nH]c(CCC[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCCC4)cc2c(OC)c1 ZINC000122175148 823317200 /nfs/dbraw/zinc/31/72/00/823317200.db2.gz MENAIICCMUGRSF-YHYVQYDKSA-N 1 0 384.520 4.055 20 0 GIADRO COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]C[C@@H]2CCN(c3cccc(OC)c3)C2)cc1 ZINC000572308499 823317284 /nfs/dbraw/zinc/31/72/84/823317284.db2.gz BHGMHVGTKPWSIP-XZUXRINTSA-N 1 0 380.532 4.312 20 0 GIADRO COc1ccccc1C[C@H](C)CC(=O)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000409827544 823318454 /nfs/dbraw/zinc/31/84/54/823318454.db2.gz SJRVRETVHHAICC-GHTZIAJQSA-N 1 0 378.516 4.275 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)CCOCC(F)(F)C(F)F)cc2)C1 ZINC000188871406 823320695 /nfs/dbraw/zinc/32/06/95/823320695.db2.gz IVICOYQIGOHZIS-CQSZACIVSA-N 1 0 390.421 4.164 20 0 GIADRO Cc1cc(C)n(-c2ccc(C[N@@H+]3CCC[C@@H](C(=O)Nc4ccccc4)C3)cc2)n1 ZINC000012974864 818198651 /nfs/dbraw/zinc/19/86/51/818198651.db2.gz COWHRRUQWPMGSW-OAQYLSRUSA-N 1 0 388.515 4.340 20 0 GIADRO COc1ccc([C@H](C[NH2+]Cc2ccccc2Br)N2CCCC2)cc1 ZINC000057681721 823321082 /nfs/dbraw/zinc/32/10/82/823321082.db2.gz BJQRVLAKASUDPD-FQEVSTJZSA-N 1 0 389.337 4.384 20 0 GIADRO c1coc(-c2nc(CN3C[C@H]4CC[N@H+](Cc5ccccc5)C[C@@H]4C3)cs2)c1 ZINC000572326508 823321209 /nfs/dbraw/zinc/32/12/09/823321209.db2.gz WUOANNGAQALCRV-RTBURBONSA-N 1 0 379.529 4.357 20 0 GIADRO CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H](c2nc(C3CC3)no2)C(C)C)cc1 ZINC000057689359 823321564 /nfs/dbraw/zinc/32/15/64/823321564.db2.gz VJHZGXUEIHLPDJ-IBGZPJMESA-N 1 0 384.524 4.306 20 0 GIADRO CCC[C@@]1(CO)CCN(C(=O)NCC(CC)(CC)[NH2+][C@H](C)c2ccccc2)C1 ZINC000460237251 823326680 /nfs/dbraw/zinc/32/66/80/823326680.db2.gz VGJDMWHIECKKNL-DENIHFKCSA-N 1 0 389.584 4.090 20 0 GIADRO C[N@H+](Cc1c(-c2ccccc2)nc2sccn12)Cc1ccc2c(c1)OCO2 ZINC000014264698 818230999 /nfs/dbraw/zinc/23/09/99/818230999.db2.gz XRVXAGPDTZUHJD-UHFFFAOYSA-N 1 0 377.469 4.424 20 0 GIADRO CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460221241 823321941 /nfs/dbraw/zinc/32/19/41/823321941.db2.gz MHEINUYVKUDTMZ-YSIASYRMSA-N 1 0 397.567 4.118 20 0 GIADRO Cc1cc(C)c(NC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1Br ZINC000188880388 823321950 /nfs/dbraw/zinc/32/19/50/823321950.db2.gz IBFYZXMMRXEHSW-INIZCTEOSA-N 1 0 394.357 4.406 20 0 GIADRO C[C@H]([NH2+]C1(CNC(=O)N2CCC(F)(F)[C@H](C)C2)CCCC1)c1ccccc1 ZINC000460222835 823322462 /nfs/dbraw/zinc/32/24/62/823322462.db2.gz AASZKSXGYLFTGD-SJORKVTESA-N 1 0 379.495 4.337 20 0 GIADRO Cn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1ccc(Oc2ccc(F)cc2)cc1 ZINC000572332746 823322701 /nfs/dbraw/zinc/32/27/01/823322701.db2.gz VZHGIFJPKJZXEK-SFTDATJTSA-N 1 0 381.451 4.361 20 0 GIADRO CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1[NH2+]Cc1ccc(NC(=O)c2ccco2)cc1 ZINC000122225190 823324130 /nfs/dbraw/zinc/32/41/30/823324130.db2.gz QJILXKKIDOEGIN-MSOLQXFVSA-N 1 0 399.491 4.067 20 0 GIADRO CCCCc1nnc(N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)n1CC ZINC000460229713 823324233 /nfs/dbraw/zinc/32/42/33/823324233.db2.gz KUTOBZRLVJSGBV-QHCPKHFHSA-N 1 0 381.568 4.133 20 0 GIADRO COc1cc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)ccc1OC(F)F ZINC000176920213 823324703 /nfs/dbraw/zinc/32/47/03/823324703.db2.gz ZQDBKEULWOLZSX-CABCVRRESA-N 1 0 383.460 4.446 20 0 GIADRO C[C@@H]([NH2+]C1(CNC(=O)NCc2ccc3cc[nH]c3n2)CCCC1)c1ccccc1 ZINC000460231036 823324758 /nfs/dbraw/zinc/32/47/58/823324758.db2.gz RNDGHFWDOMCOGI-QGZVFWFLSA-N 1 0 391.519 4.026 20 0 GIADRO CCCCC[C@@H](C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)C(C)C ZINC000122234086 823325643 /nfs/dbraw/zinc/32/56/43/823325643.db2.gz BKKBLOHXJKJBLO-OAQYLSRUSA-N 1 0 387.568 4.175 20 0 GIADRO C[C@H](O)[C@@](C)(C[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)Cc1ccccc1 ZINC000188903812 823325678 /nfs/dbraw/zinc/32/56/78/823325678.db2.gz YCGXLEDCBKEDIQ-VJNDCXKWSA-N 1 0 390.568 4.042 20 0 GIADRO COc1ccc(CNC(=O)CNc2ccccc2C[N@H+](C)C2CCCCC2)cc1 ZINC000015125724 818292726 /nfs/dbraw/zinc/29/27/26/818292726.db2.gz FCZAJIXGZYTFST-UHFFFAOYSA-N 1 0 395.547 4.188 20 0 GIADRO C[NH+]1CCC([C@@H]2CCN(C(=O)C(Cc3ccccc3)Cc3ccccc3)C2)CC1 ZINC000409853372 823326916 /nfs/dbraw/zinc/32/69/16/823326916.db2.gz NLGADKXDHCLHOM-XMMPIXPASA-N 1 0 390.571 4.278 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(NC(=O)c3ccco3)c(C)c2)C1 ZINC000176930869 823327129 /nfs/dbraw/zinc/32/71/29/823327129.db2.gz VTLNQZVAJCZDHB-KRWDZBQOSA-N 1 0 398.507 4.036 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)NCC(F)(F)c2ccc(Cl)cc2)CC1 ZINC000572392840 823332341 /nfs/dbraw/zinc/33/23/41/823332341.db2.gz XIUBETXHGVLVHV-UHFFFAOYSA-N 1 0 387.902 4.194 20 0 GIADRO Cc1cc(NC(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)ccc1-c1ccccc1 ZINC000460239992 823327900 /nfs/dbraw/zinc/32/79/00/823327900.db2.gz UACOSAXQEMHDRL-LJQANCHMSA-N 1 0 393.531 4.379 20 0 GIADRO O=S(=O)(NCc1ccc(C[NH+]2CCCC2)cc1)c1cccc(Cl)c1Cl ZINC000015336002 818314327 /nfs/dbraw/zinc/31/43/27/818314327.db2.gz GLMADOSQDAYHHT-UHFFFAOYSA-N 1 0 399.343 4.068 20 0 GIADRO C[C@@H](NC(=O)N1CCC(c2ccsc2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000188919846 823328431 /nfs/dbraw/zinc/32/84/31/823328431.db2.gz MRQRAJUTTAHZAU-AEFFLSMTSA-N 1 0 375.582 4.290 20 0 GIADRO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000176935332 823328611 /nfs/dbraw/zinc/32/86/11/823328611.db2.gz NDLJJISZPOEOFS-UHFFFAOYSA-N 1 0 388.830 4.151 20 0 GIADRO C[C@@H]([NH2+]CCC(=O)Nc1ccc(N2CCCC2=O)cc1)c1cccc(Cl)c1 ZINC000015481984 818328222 /nfs/dbraw/zinc/32/82/22/818328222.db2.gz ZMBUSILNZZSGQL-OAHLLOKOSA-N 1 0 385.895 4.146 20 0 GIADRO COc1cc(CNC2CC[NH+](C(C)C)CC2)cc(OC)c1OCc1ccccc1 ZINC000015569239 818339787 /nfs/dbraw/zinc/33/97/87/818339787.db2.gz SQGJHHBIDGRLBZ-UHFFFAOYSA-N 1 0 398.547 4.245 20 0 GIADRO C[C@@H](O)[C@@](C)(C[NH2+]C1CCN(CCc2ccc(F)cc2)CC1)Cc1ccccc1 ZINC000188929204 823329573 /nfs/dbraw/zinc/32/95/73/823329573.db2.gz XLQWUFWDSAZAFM-CJFMBICVSA-N 1 0 398.566 4.052 20 0 GIADRO O=C(NC1CC(c2ccccc2)C1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460246841 823329732 /nfs/dbraw/zinc/32/97/32/823329732.db2.gz KXZJCPBYTMDCGM-NQVNOIMPSA-N 1 0 389.543 4.096 20 0 GIADRO COc1cc2c(cc1CNCc1ccccc1C[NH+]1CCCCC1)O[C@H](C)C2 ZINC000015594500 818344422 /nfs/dbraw/zinc/34/44/22/818344422.db2.gz BWSVJWUKUAKBAJ-GOSISDBHSA-N 1 0 380.532 4.294 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc(-n3nc(C)cc3C)cc2)cc1 ZINC000015617270 818348653 /nfs/dbraw/zinc/34/86/53/818348653.db2.gz ZSKQNUMXMMHVIN-UHFFFAOYSA-N 1 0 390.531 4.261 20 0 GIADRO Cc1nc2cc(C(=O)NCc3ccc(C[NH+](C)C)cc3)ccc2n1-c1ccccc1 ZINC000016102313 818393123 /nfs/dbraw/zinc/39/31/23/818393123.db2.gz NLISJNRJQDSHHQ-UHFFFAOYSA-N 1 0 398.510 4.326 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)Nc2ccccc2N2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000176968572 823337795 /nfs/dbraw/zinc/33/77/95/823337795.db2.gz SBNQCCNDCNIGRH-CTNGQTDRSA-N 1 0 392.547 4.461 20 0 GIADRO Cc1nn(Cc2ccccc2Cl)c(C)c1CN1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000572430641 823337424 /nfs/dbraw/zinc/33/74/24/823337424.db2.gz HQUQFPZWRJQGDJ-FCHUYYIVSA-N 1 0 385.939 4.345 20 0 GIADRO COc1ccccc1[C@@H](CNC(=S)Nc1c(C)cccc1C)[NH+]1CCCC1 ZINC000016241303 818409099 /nfs/dbraw/zinc/40/90/99/818409099.db2.gz HMADVTBABKVKID-LJQANCHMSA-N 1 0 383.561 4.436 20 0 GIADRO CCc1ccc(NC(=S)NC[C@@H](c2ccccc2OC)[NH+]2CCCC2)cc1 ZINC000016241326 818409736 /nfs/dbraw/zinc/40/97/36/818409736.db2.gz LNUTTXNTSMMJRB-FQEVSTJZSA-N 1 0 383.561 4.381 20 0 GIADRO COc1cccc([C@@H](CNC(=S)Nc2ccccc2Cl)[NH+]2CCCC2)c1 ZINC000016244926 818410514 /nfs/dbraw/zinc/41/05/14/818410514.db2.gz AWIZUSAXERKXKY-LJQANCHMSA-N 1 0 389.952 4.472 20 0 GIADRO CSc1ccc(CNCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)s1 ZINC000572413206 823335002 /nfs/dbraw/zinc/33/50/02/823335002.db2.gz RXWYNUBUCUJXOT-MRXNPFEDSA-N 1 0 376.591 4.460 20 0 GIADRO COc1ccc(OC)c(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc3ccccc3c2)c1 ZINC000016342938 818426929 /nfs/dbraw/zinc/42/69/29/818426929.db2.gz OHGPWVHWYWWGMN-MRXNPFEDSA-N 1 0 378.472 4.316 20 0 GIADRO CCC[N@H+](CCOc1cccc(C)c1)CC(=O)Nc1ccc(F)c(F)c1F ZINC000016390048 818434013 /nfs/dbraw/zinc/43/40/13/818434013.db2.gz XGHUKJGCYJHVFP-UHFFFAOYSA-N 1 0 380.410 4.142 20 0 GIADRO Cc1cc(C)cc(NC(=O)COC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000016402002 818436158 /nfs/dbraw/zinc/43/61/58/818436158.db2.gz OYHXTBCSNNZIRZ-UHFFFAOYSA-N 1 0 380.488 4.085 20 0 GIADRO Cc1ccc(NC(=S)NCC2CC[NH+](Cc3cccs3)CC2)cc1F ZINC000057816865 823336451 /nfs/dbraw/zinc/33/64/51/823336451.db2.gz MQGIDSOTBXEKGH-UHFFFAOYSA-N 1 0 377.554 4.394 20 0 GIADRO C[NH+](C)CC1(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)CCCCC1 ZINC000460278358 823337695 /nfs/dbraw/zinc/33/76/95/823337695.db2.gz XXAUDPGKRKAGLL-UHFFFAOYSA-N 1 0 385.533 4.451 20 0 GIADRO COc1ccc(CCCN(C)C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000057823263 823337806 /nfs/dbraw/zinc/33/78/06/823337806.db2.gz XPPBVGXIXKPSSL-WOJBJXKFSA-N 1 0 389.584 4.027 20 0 GIADRO Cc1nn(-c2ccc(C(=O)NC[C@H](c3ccccc3)[NH+](C)C)cc2)c(C)c1Cl ZINC000016599313 818458951 /nfs/dbraw/zinc/45/89/51/818458951.db2.gz HKAFYXNJXPFPRW-HXUWFJFHSA-N 1 0 396.922 4.175 20 0 GIADRO CC[NH+](CC)CC(=O)Nc1cccc(NCc2cn(C)nc2C2CCCCC2)c1 ZINC000572439360 823339400 /nfs/dbraw/zinc/33/94/00/823339400.db2.gz XEAYGEHPVTYPGV-UHFFFAOYSA-N 1 0 397.567 4.360 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc(Br)s2)cc1 ZINC000016780325 818477454 /nfs/dbraw/zinc/47/74/54/818477454.db2.gz COJVPEBWHBMIBU-UHFFFAOYSA-N 1 0 381.339 4.282 20 0 GIADRO CCn1c(Cc2ccsc2)nnc1N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000460284682 823339877 /nfs/dbraw/zinc/33/98/77/823339877.db2.gz BJEKFDMDYFBXHV-UHFFFAOYSA-N 1 0 387.597 4.043 20 0 GIADRO C[C@H](CCNC(=O)N1CCC(c2cccc(F)c2F)CC1)[NH+]1CCCCC1 ZINC000572454920 823343157 /nfs/dbraw/zinc/34/31/57/823343157.db2.gz OPOMCDLUMMPJEJ-MRXNPFEDSA-N 1 0 379.495 4.118 20 0 GIADRO CC[NH+](CC)CC1CCN([C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000057847165 823340871 /nfs/dbraw/zinc/34/08/71/823340871.db2.gz ZTIDCOBYFUHLFL-AWEZNQCLSA-N 1 0 386.367 4.374 20 0 GIADRO CC[NH+](CC)CC1CCN([C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000057847162 823340930 /nfs/dbraw/zinc/34/09/30/823340930.db2.gz PCCQRHRUNGVWNC-CQSZACIVSA-N 1 0 386.367 4.374 20 0 GIADRO COc1ccc(C(=O)Nc2cccc(C[NH2+]CCc3ccc(F)cc3)c2)cc1 ZINC000017310568 818507738 /nfs/dbraw/zinc/50/77/38/818507738.db2.gz ATDFQUZQBJOVAN-UHFFFAOYSA-N 1 0 378.447 4.419 20 0 GIADRO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000017311778 818507773 /nfs/dbraw/zinc/50/77/73/818507773.db2.gz ZNYPJOHMAFXZDJ-INIZCTEOSA-N 1 0 377.488 4.170 20 0 GIADRO CC(C)c1ccc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000017317630 818508374 /nfs/dbraw/zinc/50/83/74/818508374.db2.gz VQNZOHCZHFPZEQ-UHFFFAOYSA-N 1 0 386.561 4.274 20 0 GIADRO Cc1nn(-c2cccc(Cl)c2)c(Cl)c1CNC1CC[NH+](C(C)C)CC1 ZINC000017313721 818508390 /nfs/dbraw/zinc/50/83/90/818508390.db2.gz FZUSJRPGZMWFEN-UHFFFAOYSA-N 1 0 381.351 4.450 20 0 GIADRO Cc1cccc(OCC[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)c1 ZINC000017315850 818508736 /nfs/dbraw/zinc/50/87/36/818508736.db2.gz KHTDRZAJRIURPW-UHFFFAOYSA-N 1 0 398.510 4.470 20 0 GIADRO Cc1nc2ccccc2c(C)c1CC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000017362869 818512518 /nfs/dbraw/zinc/51/25/18/818512518.db2.gz ZYLSFNZSWCGODU-UHFFFAOYSA-N 1 0 387.527 4.175 20 0 GIADRO COc1ccc(C[C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3nc(C)c(C)s3)C2)cc1 ZINC000572451338 823342182 /nfs/dbraw/zinc/34/21/82/823342182.db2.gz OFMXQOVUBPTNEC-YJBOKZPZSA-N 1 0 387.549 4.050 20 0 GIADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@H](C)Cc1ccsc1 ZINC000057856166 823342313 /nfs/dbraw/zinc/34/23/13/823342313.db2.gz VHOOKOWPDGPQCG-MRXNPFEDSA-N 1 0 379.595 4.294 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCC(F)(F)c1ccccc1 ZINC000572452045 823342471 /nfs/dbraw/zinc/34/24/71/823342471.db2.gz UWUCLSJVYWEUQU-UHFFFAOYSA-N 1 0 375.463 4.072 20 0 GIADRO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc2c(s1)-c1ccccc1OC2 ZINC000017701781 818524773 /nfs/dbraw/zinc/52/47/73/818524773.db2.gz QPVTUONMRMNEHT-SFHVURJKSA-N 1 0 390.508 4.312 20 0 GIADRO COc1ccc([C@@H](CNC(=O)C2(c3ccc(Cl)cc3)CC2)[NH+]2CCCC2)cc1 ZINC000017911328 818532975 /nfs/dbraw/zinc/53/29/75/818532975.db2.gz FSPJJTKOVJHPKV-OAQYLSRUSA-N 1 0 398.934 4.334 20 0 GIADRO CCn1nccc1C1CC[NH+](CCc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000572463324 823344672 /nfs/dbraw/zinc/34/46/72/823344672.db2.gz PEHGZZKNPJMHMR-UHFFFAOYSA-N 1 0 385.899 4.029 20 0 GIADRO CCC[C@H](CC1CCCC1)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000176992276 823344739 /nfs/dbraw/zinc/34/47/39/823344739.db2.gz MYKCISIZUFBPOC-HXUWFJFHSA-N 1 0 386.580 4.256 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)CCc2cccc(C(F)(F)F)c2)[C@H]1n1cccn1 ZINC000572468265 823345307 /nfs/dbraw/zinc/34/53/07/823345307.db2.gz ICMMNLSAJIXCDA-WQANXHIZSA-N 1 0 381.442 4.231 20 0 GIADRO COc1ccc([C@H](CNC(=O)Nc2ccc(F)cc2F)[NH+]2CCCCC2)cc1 ZINC000018177070 818554577 /nfs/dbraw/zinc/55/45/77/818554577.db2.gz QWSQHBIKYURWPU-FQEVSTJZSA-N 1 0 389.446 4.322 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Cc1ccc(CC(C)C)cc1 ZINC000057892021 823345582 /nfs/dbraw/zinc/34/55/82/823345582.db2.gz QMBLRZKVJHQTNO-UHFFFAOYSA-N 1 0 379.548 4.127 20 0 GIADRO CCN(c1nnc(-c2ccoc2)n1CC)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000460304071 823346567 /nfs/dbraw/zinc/34/65/67/823346567.db2.gz ODTXLXHCGDHPCE-YLJYHZDGSA-N 1 0 379.508 4.220 20 0 GIADRO CCC(CC)[C@@H]1C[C@H]([NH2+]C[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)CCO1 ZINC000572476833 823346985 /nfs/dbraw/zinc/34/69/85/823346985.db2.gz NDMVGVQJPUEJBB-NOOVBMIQSA-N 1 0 383.960 4.352 20 0 GIADRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C)c1ccc(-n2cncn2)cc1 ZINC000122384883 823347204 /nfs/dbraw/zinc/34/72/04/823347204.db2.gz NSAAULLIZRUEED-HQRMLTQVSA-N 1 0 399.539 4.001 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(NC(=O)C2CCC2)c1)c1cccc(N2CCOC2=O)c1 ZINC000122402612 823349589 /nfs/dbraw/zinc/34/95/89/823349589.db2.gz TVEGBFOHXMWBSX-INIZCTEOSA-N 1 0 393.487 4.233 20 0 GIADRO CCc1ccccc1NC(=S)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000018924969 818581008 /nfs/dbraw/zinc/58/10/08/818581008.db2.gz LWBHIFSITQYKBM-OAQYLSRUSA-N 1 0 383.561 4.381 20 0 GIADRO CCOC(=O)c1ccc(NC(=S)NCc2ccccc2C[NH+](CC)CC)cc1 ZINC000018945589 818582571 /nfs/dbraw/zinc/58/25/71/818582571.db2.gz CQUWPNJNJASOSE-UHFFFAOYSA-N 1 0 399.560 4.192 20 0 GIADRO CCOc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000057947001 823349701 /nfs/dbraw/zinc/34/97/01/823349701.db2.gz HEXQEADPJFJSSV-WMZHIEFXSA-N 1 0 385.504 4.061 20 0 GIADRO Cc1csc2nc(C[NH2+][C@@H](Cc3ccccc3)c3ccccc3)cc(=O)n12 ZINC000019538923 818594023 /nfs/dbraw/zinc/59/40/23/818594023.db2.gz QCCPFVZHAQKHIN-FQEVSTJZSA-N 1 0 375.497 4.138 20 0 GIADRO C[C@H](OC[C@H](O)C[N@H+](C)Cc1cnn(-c2ccccc2)c1)c1ccc(Cl)cc1 ZINC000057948978 823349738 /nfs/dbraw/zinc/34/97/38/823349738.db2.gz DFXSAVFWPHZQKY-HTAPYJJXSA-N 1 0 399.922 4.096 20 0 GIADRO CCC(=O)Nc1ccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000177022395 823351739 /nfs/dbraw/zinc/35/17/39/823351739.db2.gz PWKBYRIHIFLMMV-UTKZUKDTSA-N 1 0 394.519 4.210 20 0 GIADRO CCn1c(CSc2ccc(C)cc2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000460319501 823351948 /nfs/dbraw/zinc/35/19/48/823351948.db2.gz VCQVFVXQXASKNZ-UHFFFAOYSA-N 1 0 399.608 4.353 20 0 GIADRO O=C(Nc1cc(C(F)(F)F)ccc1Cl)N1CC[NH+](C2CCCC2)CC1 ZINC000020543780 818625044 /nfs/dbraw/zinc/62/50/44/818625044.db2.gz XFFRLASOCWSPMT-UHFFFAOYSA-N 1 0 375.822 4.451 20 0 GIADRO Cn1c(C[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)nc2cc(Cl)ccc21 ZINC000122432748 823353118 /nfs/dbraw/zinc/35/31/18/823353118.db2.gz CSRAPJULCSFYRA-MRXNPFEDSA-N 1 0 383.801 4.069 20 0 GIADRO C[NH2+]C[C@@H]1CCN(Cc2cn(Cc3ccccc3Cl)nc2-c2ccccc2)C1 ZINC000572523038 823353969 /nfs/dbraw/zinc/35/39/69/823353969.db2.gz SHUPIOXXBHYJKW-SFHVURJKSA-N 1 0 394.950 4.293 20 0 GIADRO Clc1cc(Br)ccc1C[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000572528284 823354721 /nfs/dbraw/zinc/35/47/21/823354721.db2.gz LEZGRJMFODIALL-UHFFFAOYSA-N 1 0 380.717 4.388 20 0 GIADRO Cc1ccc(NC(=O)[C@@H](C)Nc2ccc(CC[NH+]3CCSCC3)cc2)c(C)c1 ZINC000057958320 823350519 /nfs/dbraw/zinc/35/05/19/823350519.db2.gz WEWMHXYSYWMCAK-LJQANCHMSA-N 1 0 397.588 4.334 20 0 GIADRO CC(C)OCC[NH+]1CCC(NC(=O)[C@H](c2cccc(Cl)c2)C(C)C)CC1 ZINC000177037573 823356261 /nfs/dbraw/zinc/35/62/61/823356261.db2.gz PCSUWDSTWVPQCA-FQEVSTJZSA-N 1 0 380.960 4.085 20 0 GIADRO COc1c(F)cc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1F ZINC000177039209 823356769 /nfs/dbraw/zinc/35/67/69/823356769.db2.gz UBTPSRFIVLPQQT-GOEBONIOSA-N 1 0 389.446 4.148 20 0 GIADRO COc1c(F)cc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1F ZINC000177039225 823356795 /nfs/dbraw/zinc/35/67/95/823356795.db2.gz UBTPSRFIVLPQQT-ZBFHGGJFSA-N 1 0 389.446 4.148 20 0 GIADRO C[C@H]1C[NH+](CCCNC(=O)Nc2ccccc2SC2CCCC2)C[C@H](C)O1 ZINC000058089234 823361141 /nfs/dbraw/zinc/36/11/41/823361141.db2.gz GJZKWBRMQDKCAH-IRXDYDNUSA-N 1 0 391.581 4.342 20 0 GIADRO COc1ccc(C[NH+](Cc2ccc(OC)cc2)C[C@@H](O)CC(F)(F)F)cc1 ZINC000189097675 823357381 /nfs/dbraw/zinc/35/73/81/823357381.db2.gz ZCZRDUVIUFZRGA-KRWDZBQOSA-N 1 0 383.410 4.019 20 0 GIADRO CC[NH+]1CCC(CNC(=O)N[C@H](CCc2ccccc2)c2ccccc2)CC1 ZINC000572544181 823357732 /nfs/dbraw/zinc/35/77/32/823357732.db2.gz HWUVBPMODCXKMN-HSZRJFAPSA-N 1 0 379.548 4.392 20 0 GIADRO C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000572563075 823361643 /nfs/dbraw/zinc/36/16/43/823361643.db2.gz OFNPHZSMWYVGJL-GDBMZVCRSA-N 1 0 377.410 4.307 20 0 GIADRO CN(C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000460341853 823358680 /nfs/dbraw/zinc/35/86/80/823358680.db2.gz YJKWVMKTNOTMGX-OTWHNJEPSA-N 1 0 397.485 4.414 20 0 GIADRO COc1cccc(NC(=O)[C@H]([NH2+]CCOc2cccc(C)c2)c2ccccc2)c1 ZINC000021792514 818738036 /nfs/dbraw/zinc/73/80/36/818738036.db2.gz FLFHJDZZNVQQLA-HSZRJFAPSA-N 1 0 390.483 4.352 20 0 GIADRO C[C@@H](CCCOc1ccccc1C(N)=O)[NH2+][C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000122470826 823359208 /nfs/dbraw/zinc/35/92/08/823359208.db2.gz IISQZEBVBCCUJQ-GJZGRUSLSA-N 1 0 389.565 4.438 20 0 GIADRO Cc1ccc(NC(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)cc1OC(F)F ZINC000572553560 823359818 /nfs/dbraw/zinc/35/98/18/823359818.db2.gz ORVYLIPPXDJKQS-OAHLLOKOSA-N 1 0 377.435 4.238 20 0 GIADRO Cc1cc(F)cc(NC(=O)C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)c1 ZINC000122479332 823360389 /nfs/dbraw/zinc/36/03/89/823360389.db2.gz ONEMMZUKCFVJGX-UHFFFAOYSA-N 1 0 397.494 4.476 20 0 GIADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(C)(C)c2csc(-c3cccs3)n2)C1 ZINC000409977797 823360628 /nfs/dbraw/zinc/36/06/28/823360628.db2.gz GSKWZETYMFRSBS-LSDHHAIUSA-N 1 0 389.590 4.092 20 0 GIADRO Nc1c(Br)cc(Br)cc1C[NH2+]C[C@@H]1CCCSC1 ZINC000572564136 823362054 /nfs/dbraw/zinc/36/20/54/823362054.db2.gz ZTNRLNBHKAPQKE-VIFPVBQESA-N 1 0 394.176 4.027 20 0 GIADRO C[C@@H]([NH2+]C[C@@H]1COc2ccccc21)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000572593850 823366879 /nfs/dbraw/zinc/36/68/79/823366879.db2.gz QKUKJMIFIIROIN-SJLPKXTDSA-N 1 0 385.529 4.230 20 0 GIADRO Cc1cccc2[nH]c(CCC(=O)NC[C@H]3CCC[N@@H+](C)[C@@H]3c3cccs3)nc21 ZINC000177065540 823362830 /nfs/dbraw/zinc/36/28/30/823362830.db2.gz LMVPNUHISGKMNF-ZHRRBRCNSA-N 1 0 396.560 4.065 20 0 GIADRO Cc1cc(C[NH+]2CCC(C(=O)N3CCCC3)CC2)ccc1Oc1cccnc1 ZINC000122494098 823362904 /nfs/dbraw/zinc/36/29/04/823362904.db2.gz VSHUIISOOIAAOE-UHFFFAOYSA-N 1 0 379.504 4.017 20 0 GIADRO CS[C@H]1CN(Cc2ncc(-c3cccc(Cl)c3)o2)C[C@@H]1[NH+]1CCCC1 ZINC000460357418 823362978 /nfs/dbraw/zinc/36/29/78/823362978.db2.gz SQBAIDMYIXUENP-WMZOPIPTSA-N 1 0 377.941 4.007 20 0 GIADRO COc1ccc(C[N@H+](C)CCC(=O)Nc2c(Cl)cccc2Cl)c(OC)c1 ZINC000022198547 818782179 /nfs/dbraw/zinc/78/21/79/818782179.db2.gz VSAHIYYHEAMDNV-UHFFFAOYSA-N 1 0 397.302 4.471 20 0 GIADRO Cc1cc(NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)ccc1N(C)C ZINC000058125078 823363416 /nfs/dbraw/zinc/36/34/16/823363416.db2.gz YUVVJTDZFQQKGN-UHFFFAOYSA-N 1 0 380.536 4.369 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(OC)cc3)nc2)C1 ZINC000177067163 823363593 /nfs/dbraw/zinc/36/35/93/823363593.db2.gz YHMUPXFSITWEFC-KRWDZBQOSA-N 1 0 398.507 4.078 20 0 GIADRO Cc1sc2nc(CN3CCCC3)nc(NC[C@@H](c3ccco3)[NH+](C)C)c2c1C ZINC000022344074 818794294 /nfs/dbraw/zinc/79/42/94/818794294.db2.gz DVSRAUCGTXPTDQ-INIZCTEOSA-N 1 0 399.564 4.212 20 0 GIADRO CSC1(CNC(=O)NCc2cccc(-c3ccc(C)cc3)c2)CC[NH+](C)CC1 ZINC000460362651 823364117 /nfs/dbraw/zinc/36/41/17/823364117.db2.gz NYWYBWDGHHJRQF-UHFFFAOYSA-N 1 0 397.588 4.289 20 0 GIADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2ccccc2NCc2cccnc2)C1 ZINC000177070156 823364185 /nfs/dbraw/zinc/36/41/85/823364185.db2.gz PGKRTTUGWABRRR-WOJBJXKFSA-N 1 0 394.563 4.182 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)Nc1nc2ccccc2s1)[NH+]1CCCC1 ZINC000022388125 818800316 /nfs/dbraw/zinc/80/03/16/818800316.db2.gz SIIMMICQJHHBAD-KRWDZBQOSA-N 1 0 396.516 4.264 20 0 GIADRO COc1cccc([C@@H](CNC(=O)Nc2nc3ccccc3s2)[NH+]2CCCC2)c1 ZINC000022388681 818800534 /nfs/dbraw/zinc/80/05/34/818800534.db2.gz JCTHAYFXMGCDEV-GOSISDBHSA-N 1 0 396.516 4.264 20 0 GIADRO COc1ccc([C@@H](NC(=O)NCc2ccccc2C[NH+]2CCCC2)C(C)C)cc1 ZINC000022419817 818803786 /nfs/dbraw/zinc/80/37/86/818803786.db2.gz FFOMTJWEOLWECI-QHCPKHFHSA-N 1 0 395.547 4.488 20 0 GIADRO O=C(NCCSc1ccccc1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000022429222 818805961 /nfs/dbraw/zinc/80/59/61/818805961.db2.gz JCMFLUFYWIRLKU-UHFFFAOYSA-N 1 0 383.561 4.264 20 0 GIADRO CCN(CC)C(=O)c1cccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000022472054 818811562 /nfs/dbraw/zinc/81/15/62/818811562.db2.gz KKPOCONLINZXLG-UHFFFAOYSA-N 1 0 393.531 4.407 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N(C)CCC1CCOCC1 ZINC000122516405 823365644 /nfs/dbraw/zinc/36/56/44/823365644.db2.gz ZHOFYLJHSNVPMV-LJQANCHMSA-N 1 0 387.568 4.019 20 0 GIADRO COc1ccc(O[C@H](C)C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000409994113 823365758 /nfs/dbraw/zinc/36/57/58/823365758.db2.gz RGZFIJFENJEEHX-LJQANCHMSA-N 1 0 396.531 4.155 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2cc(O)ccc2C(F)(F)F)CC1 ZINC000189151683 823366019 /nfs/dbraw/zinc/36/60/19/823366019.db2.gz ITSPCLRKCKLHKH-UHFFFAOYSA-N 1 0 392.421 4.114 20 0 GIADRO O[C@@H]1CC[C@@H]2C[N@H+](Cc3csc(-c4ccc(Br)cc4)n3)C[C@@H]2C1 ZINC000412034452 823623700 /nfs/dbraw/zinc/62/37/00/823623700.db2.gz DAYQAROMTXOKDZ-JKIFEVAISA-N 1 0 393.350 4.165 20 0 GIADRO COc1cc(CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)ccc1C ZINC000022619675 818834882 /nfs/dbraw/zinc/83/48/82/818834882.db2.gz NYQOZZZMXUQLMU-HXUWFJFHSA-N 1 0 386.923 4.153 20 0 GIADRO CCCC[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1cc2c(cc1Cl)OCCCO2 ZINC000460352913 823361809 /nfs/dbraw/zinc/36/18/09/823361809.db2.gz OEGHVGPLTNIWCA-ZBFHGGJFSA-N 1 0 380.916 4.388 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)c1csc2c1CCCC2)[NH+]1CCCC1 ZINC000022679579 818842278 /nfs/dbraw/zinc/84/22/78/818842278.db2.gz LFUMRPYKXNGHDG-IBGZPJMESA-N 1 0 384.545 4.202 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)C12CC3CC(CC(C3)C1)C2)[NH+]1CCCC1 ZINC000022679757 818842443 /nfs/dbraw/zinc/84/24/43/818842443.db2.gz WOCQQUPITGBIKU-IOFSEFHDSA-N 1 0 382.548 4.165 20 0 GIADRO O=C(NCC1CC[NH+](C2CC2)CC1)C(Cc1ccccc1)Cc1ccccc1 ZINC000410001010 823368071 /nfs/dbraw/zinc/36/80/71/823368071.db2.gz VUDRECBZBARMOO-UHFFFAOYSA-N 1 0 376.544 4.079 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)[C@H](C)Sc1ccccc1)c1cccc(OC)c1 ZINC000022700428 818848038 /nfs/dbraw/zinc/84/80/38/818848038.db2.gz WSNJSLOVQMZERC-LAUBAEHRSA-N 1 0 386.561 4.375 20 0 GIADRO CC[NH+](CC)CCOc1ccc(CNC(=O)c2oc3ccccc3c2C)cc1 ZINC000058193071 823368308 /nfs/dbraw/zinc/36/83/08/823368308.db2.gz OPUUTYLVGGJQAJ-UHFFFAOYSA-N 1 0 380.488 4.392 20 0 GIADRO Clc1ccccc1Cn1cc(C[NH2+]C[C@H](c2ccco2)N2CCCC2)cn1 ZINC000022742633 818854436 /nfs/dbraw/zinc/85/44/36/818854436.db2.gz PQZLKHPASPWGCF-HXUWFJFHSA-N 1 0 384.911 4.105 20 0 GIADRO C[NH+](C)CCCOC1CCN(C(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000177107259 823373182 /nfs/dbraw/zinc/37/31/82/823373182.db2.gz HOXQICCDNLYMSR-ROUUACIJSA-N 1 0 399.362 4.056 20 0 GIADRO CC[C@@H]([NH2+]Cc1cc2c(cc1Br)OCO2)c1ccc(OC)cc1 ZINC000022791601 818861260 /nfs/dbraw/zinc/86/12/60/818861260.db2.gz IBBUZABBSKYVRN-MRXNPFEDSA-N 1 0 378.266 4.427 20 0 GIADRO Clc1ccccc1-c1nnc(CN2CCC[N@H+](Cc3ccccc3)CC2)o1 ZINC000022806741 818862953 /nfs/dbraw/zinc/86/29/53/818862953.db2.gz KBCIIIRQLSLKMQ-UHFFFAOYSA-N 1 0 382.895 4.098 20 0 GIADRO O=C(Nc1cccc(CNC2CC[NH+](C3CC3)CC2)c1)c1ccccc1Cl ZINC000022820524 818864318 /nfs/dbraw/zinc/86/43/18/818864318.db2.gz SBRUNJGGJPEPIZ-UHFFFAOYSA-N 1 0 383.923 4.309 20 0 GIADRO [NH3+]CCC1CCN(C(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)CC1 ZINC000572612105 823369331 /nfs/dbraw/zinc/36/93/31/823369331.db2.gz OHZJIOCQRXUKPK-UHFFFAOYSA-N 1 0 384.332 4.318 20 0 GIADRO CC(C)c1ccccc1NC(=O)CN1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000022849832 818867147 /nfs/dbraw/zinc/86/71/47/818867147.db2.gz ZQMNTWCMGCWUEI-UHFFFAOYSA-N 1 0 383.511 4.096 20 0 GIADRO COc1ccc([C@H](CNC(=O)CCCOc2ccccc2C)[NH+]2CCCC2)cc1 ZINC000022870025 818868594 /nfs/dbraw/zinc/86/85/94/818868594.db2.gz IMVIKZKKAKHCJR-QFIPXVFZSA-N 1 0 396.531 4.116 20 0 GIADRO C[NH+](C)CCCOC1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1 ZINC000177093855 823369866 /nfs/dbraw/zinc/36/98/66/823369866.db2.gz NBCHMOUOOMDLPU-UHFFFAOYSA-N 1 0 382.504 4.052 20 0 GIADRO O=C(NC[C@H]1CCC[NH2+]C1)N[C@@H](c1ccccc1Cl)c1cc(F)ccc1F ZINC000572618514 823369989 /nfs/dbraw/zinc/36/99/89/823369989.db2.gz NUQWCEWOFYUEHO-DJJJIMSYSA-N 1 0 393.865 4.006 20 0 GIADRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1Br ZINC000023014803 818887700 /nfs/dbraw/zinc/88/77/00/818887700.db2.gz NGKQLYIDSAOFNB-UHFFFAOYSA-N 1 0 387.321 4.091 20 0 GIADRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)Cc1ccc(C)c(Br)c1)c1ccco1 ZINC000572625038 823371025 /nfs/dbraw/zinc/37/10/25/823371025.db2.gz LBGWCJXWXHONTK-PBHICJAKSA-N 1 0 393.325 4.139 20 0 GIADRO O[C@@H](C[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1)c1ccc2ccccc2c1 ZINC000189180922 823371136 /nfs/dbraw/zinc/37/11/36/823371136.db2.gz UOJVNLVLBDBWMF-QHCPKHFHSA-N 1 0 375.447 4.047 20 0 GIADRO COCCC1(C[NH2+]CC2CCN(Cc3nc(C)c(C)o3)CC2)CCCCC1 ZINC000189192302 823373455 /nfs/dbraw/zinc/37/34/55/823373455.db2.gz YYFWRLYBZRHUIP-UHFFFAOYSA-N 1 0 377.573 4.080 20 0 GIADRO C[C@@H](Oc1ccc(F)cc1)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000058248607 823371368 /nfs/dbraw/zinc/37/13/68/823371368.db2.gz HSSZWCDHLNRRMO-OAHLLOKOSA-N 1 0 390.886 4.027 20 0 GIADRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)Nc1ccc(Cl)cc1)c1ccccc1O2 ZINC000023186877 818905683 /nfs/dbraw/zinc/90/56/83/818905683.db2.gz XFPUASIGQNNYEF-GOSISDBHSA-N 1 0 385.895 4.450 20 0 GIADRO Cc1cc(C)c(C(=O)CCCC(=O)N2CCC([NH+]3CCCCC3)CC2)c(C)c1 ZINC000058263428 823372669 /nfs/dbraw/zinc/37/26/69/823372669.db2.gz XSJPODNQGPTXMQ-UHFFFAOYSA-N 1 0 384.564 4.442 20 0 GIADRO CN(C)[C@H](C[NH2+]Cc1c(-c2ccccc2)nc2sccn12)Cc1ccccc1 ZINC000023256464 818917439 /nfs/dbraw/zinc/91/74/39/818917439.db2.gz PIPTYOOTEMXFPN-FQEVSTJZSA-N 1 0 390.556 4.325 20 0 GIADRO O=C(CCSc1nc2ccccc2s1)N1CCC([NH+]2CCCCC2)CC1 ZINC000058268967 823372906 /nfs/dbraw/zinc/37/29/06/823372906.db2.gz QESPFNRBJNDQPB-UHFFFAOYSA-N 1 0 389.590 4.255 20 0 GIADRO c1cc(N2CCCC2)ncc1C[NH2+]C1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000177110696 823374052 /nfs/dbraw/zinc/37/40/52/823374052.db2.gz LOQLSBDVTPXUGZ-UHFFFAOYSA-N 1 0 379.504 4.012 20 0 GIADRO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(COc3ccc4ccccc4c3)o2)C1 ZINC000058276457 823374170 /nfs/dbraw/zinc/37/41/70/823374170.db2.gz FNPMQBOOTUVPBX-GOSISDBHSA-N 1 0 392.499 4.474 20 0 GIADRO CC(=O)c1ccc(OC[C@H](O)C[NH2+]C(c2ccccc2)c2ccccc2)cc1 ZINC000023387258 818932381 /nfs/dbraw/zinc/93/23/81/818932381.db2.gz BPCDUCGFHKLPNU-JOCHJYFZSA-N 1 0 375.468 4.008 20 0 GIADRO Cc1ccc(C[N@H+](C)C[C@@H](O)CO[C@@H](c2ccccc2)c2ccc(C)cc2)o1 ZINC000023408642 818935472 /nfs/dbraw/zinc/93/54/72/818935472.db2.gz LDFMDJSYYCSALJ-VWNXMTODSA-N 1 0 379.500 4.495 20 0 GIADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)Nc1cccc(NC(=O)c2ccccc2)c1 ZINC000572649387 823375270 /nfs/dbraw/zinc/37/52/70/823375270.db2.gz MHQNAYWFXTUKNF-QGZVFWFLSA-N 1 0 382.508 4.181 20 0 GIADRO Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000023480175 818944694 /nfs/dbraw/zinc/94/46/94/818944694.db2.gz BMHACOJGLBUBDL-IBGZPJMESA-N 1 0 380.923 4.198 20 0 GIADRO COc1ccc([C@@H](CNC(=O)CCc2cc3ccccc3o2)[NH+]2CCCC2)cc1 ZINC000023487682 818946012 /nfs/dbraw/zinc/94/60/12/818946012.db2.gz XYAJUZWYHWONST-JOCHJYFZSA-N 1 0 392.499 4.327 20 0 GIADRO Cc1nc(Cc2ccccc2)sc1C(=O)N(CC[NH+](C)C)c1ccccc1 ZINC000058297370 823375731 /nfs/dbraw/zinc/37/57/31/823375731.db2.gz VEVYMFNKJUOFER-UHFFFAOYSA-N 1 0 379.529 4.251 20 0 GIADRO CCc1ccc([C@H](CNC(=O)N2C[C@@H](c3ccccc3)O[C@@H](C)C2)[NH+](C)C)cc1 ZINC000410036559 823376301 /nfs/dbraw/zinc/37/63/01/823376301.db2.gz FDCNJWDNUOETGU-TZYHBYERSA-N 1 0 395.547 4.023 20 0 GIADRO Cc1nc(-c2ccc(C)cc2C)sc1C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000058301296 823376384 /nfs/dbraw/zinc/37/63/84/823376384.db2.gz LHQNJTFPBYMGJR-GOSISDBHSA-N 1 0 383.561 4.436 20 0 GIADRO C[C@H](CO)[C@H](C)[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000572655258 823376552 /nfs/dbraw/zinc/37/65/52/823376552.db2.gz WZRMMPYZQMRQOY-SJORKVTESA-N 1 0 383.923 4.358 20 0 GIADRO COc1ccc(Cc2nc(C)c([C@@H](C)[NH2+]C[C@H](O)CC(C)C)s2)cc1OC ZINC000122583906 823376978 /nfs/dbraw/zinc/37/69/78/823376978.db2.gz FWVYTHOWVQAVDH-RHSMWYFYSA-N 1 0 392.565 4.117 20 0 GIADRO COc1ccc2[nH]c(C(=O)Nc3ccc(C[NH+]4CCSCC4)cc3C)cc2c1 ZINC000189218757 823377783 /nfs/dbraw/zinc/37/77/83/823377783.db2.gz XETQZNGIGANMGC-UHFFFAOYSA-N 1 0 395.528 4.286 20 0 GIADRO COc1ccc(-c2nc(C(=O)Nc3ccc(C[NH+](C)C)cc3)cs2)cc1OC ZINC000023899486 818991809 /nfs/dbraw/zinc/99/18/09/818991809.db2.gz GUXOINMHFLJBBY-UHFFFAOYSA-N 1 0 397.500 4.141 20 0 GIADRO C[NH+](C)Cc1ccc(NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000023899420 818992018 /nfs/dbraw/zinc/99/20/18/818992018.db2.gz NDRNRTOFFVCGET-UHFFFAOYSA-N 1 0 384.867 4.023 20 0 GIADRO Cc1cccc2nc(C3CCN(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC3)oc21 ZINC000189228413 823378870 /nfs/dbraw/zinc/37/88/70/823378870.db2.gz MSPFCBKOHYWMKV-MRXNPFEDSA-N 1 0 386.540 4.002 20 0 GIADRO COc1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000023994823 819004370 /nfs/dbraw/zinc/00/43/70/819004370.db2.gz WMXUAGXOWUCCOW-CHWSQXEVSA-N 1 0 377.282 4.136 20 0 GIADRO CCOc1ccc(C(=O)N2CCC([NH2+]Cc3ccc(Cl)cc3F)CC2)cc1 ZINC000189236888 823379692 /nfs/dbraw/zinc/37/96/92/823379692.db2.gz SHSVIKKZYOMGES-UHFFFAOYSA-N 1 0 390.886 4.272 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(-n2ccnc2)cc1)c1ccccc1Cl ZINC000024049837 819016331 /nfs/dbraw/zinc/01/63/31/819016331.db2.gz HRKPEKRTVZNKAK-NRFANRHFSA-N 1 0 396.922 4.339 20 0 GIADRO COc1cc(C[NH2+]CCc2cccc(F)c2)ccc1OCc1c(C)noc1C ZINC000024084785 819021268 /nfs/dbraw/zinc/02/12/68/819021268.db2.gz YFBQMHCSZPZQRZ-UHFFFAOYSA-N 1 0 384.451 4.350 20 0 GIADRO O=C([C@@H](Sc1ccccc1)c1ccccc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000024086723 819021635 /nfs/dbraw/zinc/02/16/35/819021635.db2.gz ZARUVKGYSJBHAH-QFIPXVFZSA-N 1 0 389.524 4.264 20 0 GIADRO O=C(c1cc2sc3ccccc3c2s1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000024087252 819021765 /nfs/dbraw/zinc/02/17/65/819021765.db2.gz JIHNLJPFAXTYTA-UHFFFAOYSA-N 1 0 379.510 4.473 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc(F)cc1OCCC(F)(F)F ZINC000410051538 823380421 /nfs/dbraw/zinc/38/04/21/823380421.db2.gz HETLZNBJHORQPL-ZDUSSCGKSA-N 1 0 391.409 4.153 20 0 GIADRO CC(C)Oc1ccc([C@@H](C[NH2+]Cc2ccc(N(C)C(C)C)nc2)N(C)C)cc1 ZINC000572677338 823380557 /nfs/dbraw/zinc/38/05/57/823380557.db2.gz FPMRYZXWZRDRFL-JOCHJYFZSA-N 1 0 384.568 4.106 20 0 GIADRO CCOc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1OCC ZINC000024182219 819030516 /nfs/dbraw/zinc/03/05/16/819030516.db2.gz UUAVJKQNVBZJLT-UHFFFAOYSA-N 1 0 396.531 4.400 20 0 GIADRO Cc1nn(CC(C)C)c(C)c1CC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000024182456 819030592 /nfs/dbraw/zinc/03/05/92/819030592.db2.gz NKUUTFWEZOFRQK-UHFFFAOYSA-N 1 0 396.579 4.001 20 0 GIADRO Cc1ccccc1[C@@]1(F)CCN(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000410053360 823380942 /nfs/dbraw/zinc/38/09/42/823380942.db2.gz FNWZNUMXMFPZPU-XMMPIXPASA-N 1 0 395.522 4.240 20 0 GIADRO C[NH+](C)C1(CNC(=O)Cc2csc(-c3cccs3)n2)CCCCCC1 ZINC000058348421 823381025 /nfs/dbraw/zinc/38/10/25/823381025.db2.gz BJMKFNSGTVTSJK-UHFFFAOYSA-N 1 0 377.579 4.185 20 0 GIADRO CCOc1ccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1OCC ZINC000024389478 819053891 /nfs/dbraw/zinc/05/38/91/819053891.db2.gz NIGKRUMLLTYQNT-UHFFFAOYSA-N 1 0 382.504 4.010 20 0 GIADRO CCC(=O)Nc1ccc(NC(=O)c2ccc(OCC[NH+](CC)CC)cc2)cc1 ZINC000058362530 823382751 /nfs/dbraw/zinc/38/27/51/823382751.db2.gz HDJJBNPQFBYJCK-UHFFFAOYSA-N 1 0 383.492 4.008 20 0 GIADRO Cc1ccc(C[NH2+][C@H]2CCCOc3cc4c(cc32)CCCC4)cc1S(C)(=O)=O ZINC000572689377 823383427 /nfs/dbraw/zinc/38/34/27/823383427.db2.gz CMWPAUSCCBOPNZ-NRFANRHFSA-N 1 0 399.556 4.281 20 0 GIADRO C[C@H](CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)[NH+](C)C ZINC000460430233 823386649 /nfs/dbraw/zinc/38/66/49/823386649.db2.gz VZIYSGKKTFUANO-CYBMUJFWSA-N 1 0 376.913 4.282 20 0 GIADRO C[C@@H]1C[C@@H](CCNC(=O)NCC2CCC(F)(F)CC2)C[N@@H+]1Cc1ccccc1 ZINC000410085630 823386941 /nfs/dbraw/zinc/38/69/41/823386941.db2.gz IAPZZKSIJNYZKN-YLJYHZDGSA-N 1 0 393.522 4.412 20 0 GIADRO C[C@H]1C[C@H](CCNC(=O)NCC2CCC(F)(F)CC2)C[N@@H+]1Cc1ccccc1 ZINC000410085624 823386987 /nfs/dbraw/zinc/38/69/87/823386987.db2.gz IAPZZKSIJNYZKN-PXNSSMCTSA-N 1 0 393.522 4.412 20 0 GIADRO Cn1nccc1[C@@H]1C[C@@H]([NH2+]Cc2ccc(Oc3ccc(F)cc3)cc2)CCO1 ZINC000572710705 823386957 /nfs/dbraw/zinc/38/69/57/823386957.db2.gz WWPMZACALKPLBH-AVRDEDQJSA-N 1 0 381.451 4.361 20 0 GIADRO CN(C)c1ccc(C(F)(F)F)cc1NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000058416828 823387811 /nfs/dbraw/zinc/38/78/11/823387811.db2.gz DDTFUWNFFHKEJD-UHFFFAOYSA-N 1 0 386.462 4.110 20 0 GIADRO COc1cc(C[NH2+][C@H](C)[C@H](OC2CCOCC2)c2ccccc2)cc(OC)c1 ZINC000122650361 823388250 /nfs/dbraw/zinc/38/82/50/823388250.db2.gz OVDFHEKWWIRGPB-HXOBKFHXSA-N 1 0 385.504 4.119 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)NC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)cc1 ZINC000572719363 823388478 /nfs/dbraw/zinc/38/84/78/823388478.db2.gz XOGSAWRLDWRIKN-IIBYNOLFSA-N 1 0 376.504 4.084 20 0 GIADRO O[C@@H]1CCCC[C@H]1[NH+]1CCC(NCc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000189310419 823391833 /nfs/dbraw/zinc/39/18/33/823391833.db2.gz CZBAJHCNKPJWTG-QZTJIDSGSA-N 1 0 390.877 4.216 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NCC1CCC(F)(F)CC1 ZINC000410104309 823392800 /nfs/dbraw/zinc/39/28/00/823392800.db2.gz JDQKTMVFLFMUSV-KRWDZBQOSA-N 1 0 379.495 4.118 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)Nc1ccc2nc(C3CC3)oc2c1 ZINC000177168095 823389547 /nfs/dbraw/zinc/38/95/47/823389547.db2.gz KLDYHNMMTSAJCR-KRWDZBQOSA-N 1 0 380.448 4.257 20 0 GIADRO CC(C)(C)[N@@H+]1CCCN(C(=O)Nc2cccc(COCc3ccco3)c2)CC1 ZINC000058425463 823389646 /nfs/dbraw/zinc/38/96/46/823389646.db2.gz QQDIJLFSFHBYEL-UHFFFAOYSA-N 1 0 385.508 4.335 20 0 GIADRO C[C@H]1C[NH+](CCC2CCN(C(=O)Nc3ccsc3Cl)CC2)C[C@H](C)O1 ZINC000189303449 823390787 /nfs/dbraw/zinc/39/07/87/823390787.db2.gz QNZXIMIJKYDXRB-KBPBESRZSA-N 1 0 385.961 4.145 20 0 GIADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)N2CC=C(c3cccc4ccccc43)CC2)C1 ZINC000058437052 823391608 /nfs/dbraw/zinc/39/16/08/823391608.db2.gz LFDHSCZSVJVTCW-LJQANCHMSA-N 1 0 377.532 4.369 20 0 GIADRO C[NH+](C)CCN(Cc1ccccn1)CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000572764271 823394586 /nfs/dbraw/zinc/39/45/86/823394586.db2.gz OHGFQAWPZXWEHU-UHFFFAOYSA-N 1 0 392.330 4.228 20 0 GIADRO Cc1cc(CCCC(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)c(C)s1 ZINC000177189631 823394888 /nfs/dbraw/zinc/39/48/88/823394888.db2.gz YLTSELKRXZZCIC-UHFFFAOYSA-N 1 0 387.549 4.217 20 0 GIADRO CC[C@H](C)c1nnc(N2CCC[C@@H]([NH+]3CCCC3)CC2)n1CCc1ccccc1 ZINC000460455804 823395431 /nfs/dbraw/zinc/39/54/31/823395431.db2.gz ZUQWYBCMSJTCSR-RBBKRZOGSA-N 1 0 395.595 4.489 20 0 GIADRO C[NH2+]Cc1ccccc1NC(=O)c1cccc(-c2noc(CC(C)(C)C)n2)c1 ZINC000122691924 823395552 /nfs/dbraw/zinc/39/55/52/823395552.db2.gz JVKAUJZVPIYKMN-UHFFFAOYSA-N 1 0 378.476 4.297 20 0 GIADRO Cc1cc([C@@H](NC(=O)Nc2cccc(OCC[NH+](C)C)c2)C2CC2)ccc1F ZINC000572774057 823396315 /nfs/dbraw/zinc/39/63/15/823396315.db2.gz RUKIVWLRZQIYSD-NRFANRHFSA-N 1 0 385.483 4.347 20 0 GIADRO Cc1ccc(NCCc2ccc(F)cc2Cl)cc1NC(=O)CC[NH+](C)C ZINC000572773383 823396357 /nfs/dbraw/zinc/39/63/57/823396357.db2.gz NEYVVXBOJYUOMT-UHFFFAOYSA-N 1 0 377.891 4.332 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)c3c(Cl)cncc3Cl)C2)s1 ZINC000572772769 823396426 /nfs/dbraw/zinc/39/64/26/823396426.db2.gz NMAXSRYURYDSFN-ZDUSSCGKSA-N 1 0 398.359 4.352 20 0 GIADRO COc1ccc2nc(-c3nc(-c4ccc(F)c(C[NH+](C)C)c4)no3)ccc2c1 ZINC000572774684 823396823 /nfs/dbraw/zinc/39/68/23/823396823.db2.gz WXUXSMUPFFEBBD-UHFFFAOYSA-N 1 0 378.407 4.161 20 0 GIADRO CC(C)(C[NH2+]Cc1ccc(OCc2ccncc2)cc1)c1ccc2c(c1)OCO2 ZINC000058476045 823397324 /nfs/dbraw/zinc/39/73/24/823397324.db2.gz KHOKSERQSOJJPL-UHFFFAOYSA-N 1 0 390.483 4.457 20 0 GIADRO CC(C)(C[NH2+]Cc1csc(Br)c1)c1ccc2c(c1)OCCO2 ZINC000058476559 823397341 /nfs/dbraw/zinc/39/73/41/823397341.db2.gz MPGRLKUUWKIVKK-UHFFFAOYSA-N 1 0 382.323 4.349 20 0 GIADRO Fc1cc(-c2ccncc2)ccc1CNCC1([NH+]2CCCCC2)CCOCC1 ZINC000122701467 823397350 /nfs/dbraw/zinc/39/73/50/823397350.db2.gz KGGQJCFMMCTVEA-UHFFFAOYSA-N 1 0 383.511 4.012 20 0 GIADRO CCn1nccc1C1CC[NH+](Cc2ccc(OCc3ccccc3)nc2)CC1 ZINC000572777746 823397506 /nfs/dbraw/zinc/39/75/06/823397506.db2.gz FQWQOTLQBFAREM-UHFFFAOYSA-N 1 0 376.504 4.257 20 0 GIADRO COc1cc(C)c(C[NH2+][C@H](C)[C@@H](OC2CCOCC2)c2ccccc2)cc1OC ZINC000122712143 823398877 /nfs/dbraw/zinc/39/88/77/823398877.db2.gz AHKKRKDMJWUKAM-HOYKHHGWSA-N 1 0 399.531 4.427 20 0 GIADRO Cc1oc2nc(SC[C@@H](C)[NH+](C)C)nc(NC(=O)c3ccccc3)c2c1C ZINC000460463004 823398360 /nfs/dbraw/zinc/39/83/60/823398360.db2.gz YCAUEGKJVAKADM-GFCCVEGCSA-N 1 0 384.505 4.134 20 0 GIADRO CC(C)[NH2+]C1CCN(C(=O)Nc2ccnn2Cc2ccc(C(C)C)cc2)CC1 ZINC000189352363 823399536 /nfs/dbraw/zinc/39/95/36/823399536.db2.gz WIPCQIIYASXHQM-UHFFFAOYSA-N 1 0 383.540 4.049 20 0 GIADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2ccc(F)cc2C(F)(F)F)CC1 ZINC000122717660 823399675 /nfs/dbraw/zinc/39/96/75/823399675.db2.gz RGZTWYGWFRKLFJ-UHFFFAOYSA-N 1 0 384.373 4.174 20 0 GIADRO C[C@@H]([NH2+]C[C@H](c1ccccc1Cl)N1CCOCC1)c1ccnc(Cl)c1 ZINC000122720933 823400252 /nfs/dbraw/zinc/40/02/52/823400252.db2.gz PYAVSHXGJGDZSD-RDTXWAMCSA-N 1 0 380.319 4.113 20 0 GIADRO C[C@@H](NC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C)c1ccc(C(F)(F)F)cc1 ZINC000410145513 823401171 /nfs/dbraw/zinc/40/11/71/823401171.db2.gz MLGMNXPYFADDND-DNVCBOLYSA-N 1 0 393.453 4.239 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NCc1ccc(F)cc1C(F)(F)F ZINC000410145768 823401209 /nfs/dbraw/zinc/40/12/09/823401209.db2.gz OMARJKIERDUQFO-AWEZNQCLSA-N 1 0 389.437 4.298 20 0 GIADRO C[C@@H]([NH2+][C@H](CN1CCCC1=O)c1ccccc1)c1ccc(Br)cc1 ZINC000177224490 823403808 /nfs/dbraw/zinc/40/38/08/823403808.db2.gz MXCKGYJOFPKYMC-DNVCBOLYSA-N 1 0 387.321 4.463 20 0 GIADRO Cc1nc(CC[NH2+]Cc2cccc3c2N(C(=O)OC(C)(C)C)CC3)sc1C ZINC000122733638 823402456 /nfs/dbraw/zinc/40/24/56/823402456.db2.gz HQSDJONTMNOUMX-UHFFFAOYSA-N 1 0 387.549 4.390 20 0 GIADRO CCOC(=O)N1CCC([C@H](C)[NH2+]Cc2cnc(-c3cccs3)s2)CC1 ZINC000189373060 823402847 /nfs/dbraw/zinc/40/28/47/823402847.db2.gz DJZMBFGTJRALRJ-ZDUSSCGKSA-N 1 0 379.551 4.218 20 0 GIADRO CCOC(=O)N1CCC([C@H](C)[NH2+]Cc2cc(Cl)cc3cccnc32)CC1 ZINC000189374168 823403049 /nfs/dbraw/zinc/40/30/49/823403049.db2.gz FGSLRJWKEAZUPX-AWEZNQCLSA-N 1 0 375.900 4.235 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)c2ccc(F)c(F)c2F)CC[N@@H+]1Cc1ccccc1 ZINC000177223645 823403397 /nfs/dbraw/zinc/40/33/97/823403397.db2.gz SFYDKEXZHGWIJG-GDBMZVCRSA-N 1 0 376.422 4.229 20 0 GIADRO COc1ccc(C[C@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3ccc(Cl)cn3)C2)cc1 ZINC000572813587 823404261 /nfs/dbraw/zinc/40/42/61/823404261.db2.gz AQDWBGCCLUQUSD-DOTOQJQBSA-N 1 0 387.911 4.025 20 0 GIADRO O=C(c1ccccc1CC1CC[NH2+]CC1)N1CCC(COc2ccccc2)CC1 ZINC000572842580 823408487 /nfs/dbraw/zinc/40/84/87/823408487.db2.gz LFCWJEXKRIHDNG-UHFFFAOYSA-N 1 0 392.543 4.160 20 0 GIADRO CCC[N@H+](CC)Cc1ccc(C(=O)N2C[C@H](C)Oc3ccc(OC)cc32)cc1 ZINC000460484656 823404445 /nfs/dbraw/zinc/40/44/45/823404445.db2.gz AQBKIFKBJJSFMJ-KRWDZBQOSA-N 1 0 382.504 4.355 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)N2C[C@H](C)Oc3ccc(OC)cc32)cc1)C1CC1 ZINC000460484418 823404505 /nfs/dbraw/zinc/40/45/05/823404505.db2.gz XHAVMOXCBVZKHB-INIZCTEOSA-N 1 0 380.488 4.107 20 0 GIADRO COCCc1ccccc1NC(=O)N[C@@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000189400945 823408514 /nfs/dbraw/zinc/40/85/14/823408514.db2.gz BKPQWGIZDRCIGL-QFIPXVFZSA-N 1 0 383.536 4.154 20 0 GIADRO O=C(CCOc1ccccc1Cl)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000058531870 823405008 /nfs/dbraw/zinc/40/50/08/823405008.db2.gz HHHUBHQSFFAAFH-UHFFFAOYSA-N 1 0 390.886 4.029 20 0 GIADRO COc1ccc2c(c1)N(C(=O)c1ccc(C[NH+]3CCCCC3)cc1)C[C@@H](C)O2 ZINC000460486097 823405123 /nfs/dbraw/zinc/40/51/23/823405123.db2.gz IZCIGRXLDIBYCB-QGZVFWFLSA-N 1 0 380.488 4.109 20 0 GIADRO Cc1c2ccccc2oc1[C@@H](C)[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177229377 823405134 /nfs/dbraw/zinc/40/51/34/823405134.db2.gz MWMOLBKTOZJUMU-JKSUJKDBSA-N 1 0 386.517 4.403 20 0 GIADRO CCOc1ccc(OCC)c(NC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000058533927 823405480 /nfs/dbraw/zinc/40/54/80/823405480.db2.gz ODSXVWWABOQCCO-QGZVFWFLSA-N 1 0 377.529 4.118 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(Br)cc1Cl ZINC000177244367 823408615 /nfs/dbraw/zinc/40/86/15/823408615.db2.gz NDQBYADJIICEOR-OLZOCXBDSA-N 1 0 386.721 4.193 20 0 GIADRO O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)c1csc(Cl)c1 ZINC000189386217 823405633 /nfs/dbraw/zinc/40/56/33/823405633.db2.gz KAFBWAYBMKQKRW-UHFFFAOYSA-N 1 0 392.952 4.203 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1ccc(OCC(F)(F)F)cc1 ZINC000058536799 823405800 /nfs/dbraw/zinc/40/58/00/823405800.db2.gz AKRXIBRBCRZCJL-HNNXBMFYSA-N 1 0 387.446 4.404 20 0 GIADRO COCCc1ccccc1NC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000189388280 823406235 /nfs/dbraw/zinc/40/62/35/823406235.db2.gz COVCKFQSNFANSQ-UHFFFAOYSA-N 1 0 395.547 4.429 20 0 GIADRO C[C@@]1(C[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)OCCc2sccc21 ZINC000572829572 823406650 /nfs/dbraw/zinc/40/66/50/823406650.db2.gz MDKWRRZNPPUQLH-IBGZPJMESA-N 1 0 379.909 4.141 20 0 GIADRO Cc1cc(C)n(-c2ccccc2NC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)n1 ZINC000058546340 823407326 /nfs/dbraw/zinc/40/73/26/823407326.db2.gz GZBRXLQDFRLRAX-QGZVFWFLSA-N 1 0 383.540 4.123 20 0 GIADRO CC(=O)CCc1ccc2oc(C(=O)N3CCNCc4ccccc43)c(C)c2c1 ZINC000572833849 823407436 /nfs/dbraw/zinc/40/74/36/823407436.db2.gz NRRQUGXENWEBOM-UHFFFAOYSA-N 1 0 376.456 4.013 20 0 GIADRO C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1cccc(COCc2ccc(OC)cc2)c1 ZINC000572838035 823407742 /nfs/dbraw/zinc/40/77/42/823407742.db2.gz OEZOMBIAXWNVDF-OAQYLSRUSA-N 1 0 384.520 4.375 20 0 GIADRO C[C@H]([NH2+]Cc1cc(-c2ccccc2)n[nH]1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000122761596 823407693 /nfs/dbraw/zinc/40/76/93/823407693.db2.gz SPMVADXATJZUHZ-UUOWRZLLSA-N 1 0 391.515 4.492 20 0 GIADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)cc1 ZINC000177247500 823408912 /nfs/dbraw/zinc/40/89/12/823408912.db2.gz CPYLHNDXIDPHTA-ZHRRBRCNSA-N 1 0 398.503 4.174 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)CCc2cccc(N(C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000189411285 823410715 /nfs/dbraw/zinc/41/07/15/823410715.db2.gz RCPDSMSQJPSEHV-GBXCKJPGSA-N 1 0 393.575 4.197 20 0 GIADRO CC[C@H](NC(=O)C(=O)Nc1ccc(C[NH+](CC)CC)cc1)c1ccc(C)cc1 ZINC000189412776 823411112 /nfs/dbraw/zinc/41/11/12/823411112.db2.gz DOAGUORLVLATHV-NRFANRHFSA-N 1 0 381.520 4.043 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@H](C)c2cc3ccccc3o2)cc1 ZINC000189414225 823411127 /nfs/dbraw/zinc/41/11/27/823411127.db2.gz DMRRWPQCWITDGB-MRXNPFEDSA-N 1 0 393.487 4.091 20 0 GIADRO Cc1cccc(C)c1OCCC[N@@H+](C)C1CCN(CCc2ccccn2)CC1 ZINC000177255940 823411150 /nfs/dbraw/zinc/41/11/50/823411150.db2.gz BJAHMQNLSNBMDH-UHFFFAOYSA-N 1 0 381.564 4.106 20 0 GIADRO O[C@@H](C[NH2+]Cc1ccc(COCC(F)(F)F)cc1)Cc1cccc(Cl)c1 ZINC000572869888 823411909 /nfs/dbraw/zinc/41/19/09/823411909.db2.gz WDIOYANDPIWRBP-GOSISDBHSA-N 1 0 387.829 4.112 20 0 GIADRO C[C@H](Cc1nc2ccccc2s1)NC(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000572880734 823413257 /nfs/dbraw/zinc/41/32/57/823413257.db2.gz KYZIQOCYPOSDTQ-MRXNPFEDSA-N 1 0 393.556 4.199 20 0 GIADRO Cc1ccc(Cl)c(O[C@@H](C)C(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)c1 ZINC000410182077 823413292 /nfs/dbraw/zinc/41/32/92/823413292.db2.gz WYNOLHIWMUDYDY-INIZCTEOSA-N 1 0 390.911 4.132 20 0 GIADRO CC(C)Oc1cccc(CN(C)C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000122795692 823413448 /nfs/dbraw/zinc/41/34/48/823413448.db2.gz PDCFDTBBBJPELS-LJQANCHMSA-N 1 0 375.557 4.270 20 0 GIADRO Cc1c(C(=O)NC2CC[NH+](C3CCCCC3)CC2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000177251342 823409615 /nfs/dbraw/zinc/40/96/15/823409615.db2.gz HBWUPIIRBTYGPI-UHFFFAOYSA-N 1 0 385.552 4.005 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(-n2cccn2)c1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000122771759 823409626 /nfs/dbraw/zinc/40/96/26/823409626.db2.gz PCLHZOJOSLGXKJ-DVECYGJZSA-N 1 0 391.515 4.287 20 0 GIADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H](c2ccco2)N(CC)CC)c2ccccc21 ZINC000572859544 823410311 /nfs/dbraw/zinc/41/03/11/823410311.db2.gz SEQLWRFBJLISQG-QHAWAJNXSA-N 1 0 384.520 4.434 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)c2csc(C(F)(F)F)n2)CC[N@@H+]1Cc1ccccc1 ZINC000189411027 823410441 /nfs/dbraw/zinc/41/04/41/823410441.db2.gz REZRVVVBQKGSMA-DZGCQCFKSA-N 1 0 397.466 4.287 20 0 GIADRO COc1ccc(C[C@H](CO)C[NH2+]Cc2cccc(-c3ccccc3C)c2)cc1O ZINC000572888744 823414479 /nfs/dbraw/zinc/41/44/79/823414479.db2.gz JHYXIAOYKNASHN-NRFANRHFSA-N 1 0 391.511 4.317 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)Nc2ccc(COC(C)C)cc2)c1 ZINC000189434605 823415060 /nfs/dbraw/zinc/41/50/60/823415060.db2.gz VSNFVJMIWCPXHS-UHFFFAOYSA-N 1 0 397.519 4.031 20 0 GIADRO COc1ccc(C[NH2+][C@@H](C)[C@@H](OC2CCOCC2)c2ccccc2)cc1OC ZINC000122802398 823415167 /nfs/dbraw/zinc/41/51/67/823415167.db2.gz WKRKDAZAUNPNFJ-GAJHUEQPSA-N 1 0 385.504 4.119 20 0 GIADRO C[C@@H]([NH2+]CCCNC(=O)c1ccc(F)cc1)c1cccc(Br)c1 ZINC000410204307 823419265 /nfs/dbraw/zinc/41/92/65/823419265.db2.gz AYHWVTKTSPXQNX-CYBMUJFWSA-N 1 0 379.273 4.059 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)C1(c2cccc(F)c2)CCC1)[NH+]1CCCC1 ZINC000058612430 823416961 /nfs/dbraw/zinc/41/69/61/823416961.db2.gz YGBKRZHKXKLUIF-NRFANRHFSA-N 1 0 396.506 4.209 20 0 GIADRO CC(C)(C)OC(=O)N1CCC([NH2+]Cc2ccc(Oc3ccccc3)nc2)CC1 ZINC000177273973 823417308 /nfs/dbraw/zinc/41/73/08/823417308.db2.gz HZSQJSQAJBAUSX-UHFFFAOYSA-N 1 0 383.492 4.363 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N(C)[C@H](c2ccccc2)C(C)C)cc1 ZINC000189443154 823417476 /nfs/dbraw/zinc/41/74/76/823417476.db2.gz FSUVIFBQPSLYIZ-QFIPXVFZSA-N 1 0 395.547 4.323 20 0 GIADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NCc2ccc(F)cc2C(F)(F)F)C1 ZINC000410200683 823417742 /nfs/dbraw/zinc/41/77/42/823417742.db2.gz VBBKYHHGOMMMER-ZIAGYGMSSA-N 1 0 389.437 4.012 20 0 GIADRO C[C@H]([NH2+]CC(C)(C)c1ccc2c(c1)OCO2)c1cccc(N2CCOC2=O)c1 ZINC000122824588 823418704 /nfs/dbraw/zinc/41/87/04/823418704.db2.gz HFXFUPYJKNBBCX-HNNXBMFYSA-N 1 0 382.460 4.000 20 0 GIADRO Cc1ccc(-c2nc(CC[NH2+]C3CCN(C(=O)OC(C)(C)C)CC3)co2)cc1 ZINC000177278329 823418824 /nfs/dbraw/zinc/41/88/24/823418824.db2.gz FGZFSXOFBOWDAD-UHFFFAOYSA-N 1 0 385.508 4.182 20 0 GIADRO CCc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3cccc(Br)c3)C2)ncn1 ZINC000410212321 823421509 /nfs/dbraw/zinc/42/15/09/823421509.db2.gz BYYSEIZDNJPIAM-KSSFIOAISA-N 1 0 389.341 4.121 20 0 GIADRO Cc1cc(C[N@@H+]2CCCN(C(=O)CCc3ccccc3)CC2)c2ccccc2n1 ZINC000177286888 823422047 /nfs/dbraw/zinc/42/20/47/823422047.db2.gz DULTWTMDNHNKQI-UHFFFAOYSA-N 1 0 387.527 4.210 20 0 GIADRO CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2)NC(=O)OC(C)(C)C ZINC000122845505 823422446 /nfs/dbraw/zinc/42/24/46/823422446.db2.gz IIICPFSMPOSNJB-KBXCAEBGSA-N 1 0 389.540 4.116 20 0 GIADRO CC[C@H](C(=O)N(Cc1ccco1)Cc1ccc(O)cc1)[N@H+](C)Cc1ccccc1 ZINC000572924938 823420699 /nfs/dbraw/zinc/42/06/99/823420699.db2.gz OMPIJRWCZAJSCB-HSZRJFAPSA-N 1 0 392.499 4.425 20 0 GIADRO CC(=O)Nc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3c(C)cc(C)cc3C)C2=O)cc1 ZINC000189454791 823420680 /nfs/dbraw/zinc/42/06/80/823420680.db2.gz HBGBRWGGLSWMEN-UTKZUKDTSA-N 1 0 379.504 4.026 20 0 GIADRO C[C@H]([NH2+]CCCc1nnc2n1CCCCC2)c1ccc(Br)cc1 ZINC000177284177 823421102 /nfs/dbraw/zinc/42/11/02/823421102.db2.gz QMLZDNHMEPTTCD-AWEZNQCLSA-N 1 0 377.330 4.050 20 0 GIADRO COCCc1ccccc1NC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000189474378 823425036 /nfs/dbraw/zinc/42/50/36/823425036.db2.gz JJUMTODVZVNLMY-YLJYHZDGSA-N 1 0 387.549 4.142 20 0 GIADRO CC[NH+](CC)CCOc1ccc(NC(=O)C(C)(C)c2ccccc2OC)cc1 ZINC000058658691 823425892 /nfs/dbraw/zinc/42/58/92/823425892.db2.gz BQRIHJZMBYLELS-UHFFFAOYSA-N 1 0 384.520 4.332 20 0 GIADRO Cc1ccccc1C1(C[NH2+][C@@H]2CCN(C)[C@H](c3ccccc3)C2)CCOCC1 ZINC000572979057 823429296 /nfs/dbraw/zinc/42/92/96/823429296.db2.gz QXBYVGBVDVOJLZ-VWNXMTODSA-N 1 0 378.560 4.468 20 0 GIADRO COc1cccc(C2(F)CCN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)CC2)c1 ZINC000410227665 823425994 /nfs/dbraw/zinc/42/59/94/823425994.db2.gz BACKKGMNTCJCSO-SFHVURJKSA-N 1 0 388.527 4.137 20 0 GIADRO O=C(c1ccc(SCc2ccccc2)cc1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000572958798 823426933 /nfs/dbraw/zinc/42/69/33/823426933.db2.gz LBXVXCDOKMKOCL-RTWAWAEBSA-N 1 0 380.557 4.441 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)NCc2ccc(OC(C)C)cc2)cc1 ZINC000410230611 823427243 /nfs/dbraw/zinc/42/72/43/823427243.db2.gz PGBMLODJVWKXTO-UHFFFAOYSA-N 1 0 383.536 4.315 20 0 GIADRO COCCc1ccccc1NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000189486935 823428118 /nfs/dbraw/zinc/42/81/18/823428118.db2.gz FVYSXZUEEQSYEH-SIKLNZKXSA-N 1 0 395.547 4.392 20 0 GIADRO CC(=O)c1cc(NC(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)ccc1C ZINC000572973325 823428705 /nfs/dbraw/zinc/42/87/05/823428705.db2.gz UGIDGLAUPXSQLQ-UHFFFAOYSA-N 1 0 389.446 4.072 20 0 GIADRO CCCOc1ccc(NC(=O)C(=O)Nc2ccc(C[NH+](CC)CC)cc2)c(C)c1 ZINC000189489337 823428724 /nfs/dbraw/zinc/42/87/24/823428724.db2.gz XLVWKLSGDVUBHX-UHFFFAOYSA-N 1 0 397.519 4.203 20 0 GIADRO C[C@@H](C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1)c1ccc2ccccc2c1 ZINC000177310111 823428929 /nfs/dbraw/zinc/42/89/29/823428929.db2.gz NPXQQVYWTBYZPK-HXUWFJFHSA-N 1 0 393.575 4.010 20 0 GIADRO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000122893315 823429978 /nfs/dbraw/zinc/42/99/78/823429978.db2.gz ZBOXRSOGVARPJR-ZIAGYGMSSA-N 1 0 380.410 4.349 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)C1(c2ccccc2Cl)CCOCC1 ZINC000177314071 823430097 /nfs/dbraw/zinc/43/00/97/823430097.db2.gz DFXJNLIMCRQUQU-UHFFFAOYSA-N 1 0 386.923 4.397 20 0 GIADRO CSc1ccc([C@H](C)NC(=O)c2ccc(C[NH+]3CCSCC3)cc2)cc1 ZINC000410239034 823430575 /nfs/dbraw/zinc/43/05/75/823430575.db2.gz QDSQRTUTEWMHFR-INIZCTEOSA-N 1 0 386.586 4.448 20 0 GIADRO CCOC1(C[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)CCCC1 ZINC000572989412 823430646 /nfs/dbraw/zinc/43/06/46/823430646.db2.gz MNWIPUYRTCGJTL-UHFFFAOYSA-N 1 0 378.314 4.278 20 0 GIADRO CC(C)Oc1ccc(CNC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000410239451 823430822 /nfs/dbraw/zinc/43/08/22/823430822.db2.gz TUZKXDOPALFLSN-KDURUIRLSA-N 1 0 375.557 4.031 20 0 GIADRO CC(=O)c1ccc(CC(=O)NC[C@H](c2ccc(CC(C)C)cc2)[NH+](C)C)cc1 ZINC000573007950 823432806 /nfs/dbraw/zinc/43/28/06/823432806.db2.gz ZWSNYJLWMOJZSP-HSZRJFAPSA-N 1 0 380.532 4.049 20 0 GIADRO CC(C)[C@H]([NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)c1ccc(F)cc1 ZINC000024679920 819864198 /nfs/dbraw/zinc/86/41/98/819864198.db2.gz YGUBKMAGNBGMEL-AVRDEDQJSA-N 1 0 388.446 4.350 20 0 GIADRO CC(C)(C)OC(=O)N1CCC([NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000177324150 823433808 /nfs/dbraw/zinc/43/38/08/823433808.db2.gz JMRBXBHGZWODOB-INIZCTEOSA-N 1 0 389.323 4.016 20 0 GIADRO C[C@H]([NH2+]CC1(N2CCCCC2)CCOCC1)c1ccc(Br)cc1 ZINC000177325297 823434214 /nfs/dbraw/zinc/43/42/14/823434214.db2.gz GPXQGQLIIVOARC-INIZCTEOSA-N 1 0 381.358 4.135 20 0 GIADRO Cc1cc2cc(NC(=O)N3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@@H]4C3)ccc2[nH]1 ZINC000573023533 823435505 /nfs/dbraw/zinc/43/55/05/823435505.db2.gz SOYQDWONHLJNGK-PZJWPPBQSA-N 1 0 388.515 4.462 20 0 GIADRO C[N@H+](CCC(=O)Nc1ccc(Br)cc1F)Cc1ccc(F)cc1 ZINC000024897849 819890656 /nfs/dbraw/zinc/89/06/56/819890656.db2.gz UBCBFIYUQFIPFF-UHFFFAOYSA-N 1 0 383.236 4.188 20 0 GIADRO C[N@H+](CCC(=O)Nc1ccc(Br)cc1F)Cc1ccccc1F ZINC000024897443 819890665 /nfs/dbraw/zinc/89/06/65/819890665.db2.gz ICVRZCZCFYAEQQ-UHFFFAOYSA-N 1 0 383.236 4.188 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)c2cccc(NC(=O)[C@H]3C[C@@H]3C)c2)c1 ZINC000024928190 819896536 /nfs/dbraw/zinc/89/65/36/819896536.db2.gz HYKSCZARURDGHL-KKSFZXQISA-N 1 0 379.504 4.375 20 0 GIADRO O[C@@H](C[C@@H]1CCCCC[N@@H+]1CCOCC(F)(F)C(F)F)c1cccs1 ZINC000189523317 823437075 /nfs/dbraw/zinc/43/70/75/823437075.db2.gz KWKUIZZWLUTJKK-KBPBESRZSA-N 1 0 383.451 4.333 20 0 GIADRO C[C@@H]1CCCC[C@H]1CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000573035936 823437417 /nfs/dbraw/zinc/43/74/17/823437417.db2.gz GKIVDEHUROTHOU-PUHATCMVSA-N 1 0 398.591 4.248 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000025068747 819919858 /nfs/dbraw/zinc/91/98/58/819919858.db2.gz KDQYSIXLUNAKTD-UHFFFAOYSA-N 1 0 394.906 4.256 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000025073381 819920861 /nfs/dbraw/zinc/92/08/61/819920861.db2.gz VMEZLODJXAVMKE-UHFFFAOYSA-N 1 0 394.906 4.256 20 0 GIADRO COc1cc(C[C@@H](CO)C[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)cc(OC)c1 ZINC000573040815 823438342 /nfs/dbraw/zinc/43/83/42/823438342.db2.gz RJPGKBLVTOXOAZ-HXOBKFHXSA-N 1 0 394.515 4.003 20 0 GIADRO CC[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(Cl)s1 ZINC000177339158 823439440 /nfs/dbraw/zinc/43/94/40/823439440.db2.gz ZCNXQHJYUPHHGB-SWLSCSKDSA-N 1 0 386.970 4.454 20 0 GIADRO CCOc1cc(C[NH2+][C@@H]2CCCc3ccccc32)ccc1O[C@H](C)C(=O)N(C)C ZINC000025259713 819952124 /nfs/dbraw/zinc/95/21/24/819952124.db2.gz WIRPGKFPLRWYGK-DYESRHJHSA-N 1 0 396.531 4.108 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1cc2c(s1)-c1ccccc1OC2)c1ccsc1 ZINC000025328933 819962917 /nfs/dbraw/zinc/96/29/17/819962917.db2.gz JYRQNPFLQSOVFM-INIZCTEOSA-N 1 0 384.526 4.402 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)COc1ccccc1Cc1ccccc1)c1ccsc1 ZINC000025330170 819963859 /nfs/dbraw/zinc/96/38/59/819963859.db2.gz RFNACCYSDTWLQJ-NRFANRHFSA-N 1 0 394.540 4.137 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)c1cc2cc(Cl)sc2[nH]1 ZINC000573057893 823441839 /nfs/dbraw/zinc/44/18/39/823441839.db2.gz XRKWYSVJGOWPAF-UHFFFAOYSA-N 1 0 389.908 4.092 20 0 GIADRO Brc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H]3Cc3ccccc3)o2)o1 ZINC000025359059 819969130 /nfs/dbraw/zinc/96/91/30/819969130.db2.gz ZPVZAUZSTVGOPW-CQSZACIVSA-N 1 0 388.265 4.299 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)CSc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000025402591 819976295 /nfs/dbraw/zinc/97/62/95/819976295.db2.gz XTTRGRHPDNGUJL-QGZVFWFLSA-N 1 0 382.451 4.217 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Cc1csc(-c2ccccc2Cl)n1)c1ccccc1 ZINC000025421232 819977777 /nfs/dbraw/zinc/97/77/77/819977777.db2.gz UQOZSHVRCZMZLZ-IBGZPJMESA-N 1 0 399.947 4.425 20 0 GIADRO COc1cc(NC(=O)C[N@@H+]2CCC[C@@H]2Cc2ccccc2)c(OC)cc1Cl ZINC000025441675 819980842 /nfs/dbraw/zinc/98/08/42/819980842.db2.gz WORBZXYUQNLZOP-MRXNPFEDSA-N 1 0 388.895 4.003 20 0 GIADRO Cc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3cc(C[NH+](C)C)ccc3C)n2)n1 ZINC000177359387 823444503 /nfs/dbraw/zinc/44/45/03/823444503.db2.gz MHBSVZSUWWRRNP-UHFFFAOYSA-N 1 0 397.910 4.160 20 0 GIADRO C[C@@H]([NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)c1ccccc1-n1cccn1 ZINC000177361062 823444773 /nfs/dbraw/zinc/44/47/73/823444773.db2.gz XAZGINQOEXESFZ-WWDZGPRUSA-N 1 0 384.524 4.359 20 0 GIADRO C[C@@H](CNC(=O)c1ccc(SC(F)F)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000025640424 820009619 /nfs/dbraw/zinc/00/96/19/820009619.db2.gz ICYDWTGVNXQOOV-AWEZNQCLSA-N 1 0 376.472 4.178 20 0 GIADRO O[C@H](COCc1cccs1)C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000025664407 820012830 /nfs/dbraw/zinc/01/28/30/820012830.db2.gz XWSMNVNLNPSZST-CVEARBPZSA-N 1 0 388.558 4.115 20 0 GIADRO Cc1ccc(-n2nc(C(=O)Nc3cc(C[NH+](C)C)ccc3C)c3c2CCC3)cc1 ZINC000177362594 823445121 /nfs/dbraw/zinc/44/51/21/823445121.db2.gz LMAJQDHHGIOZOF-UHFFFAOYSA-N 1 0 388.515 4.292 20 0 GIADRO Cc1ccc([C@H](OC[C@H](O)C[NH2+]CC2CC(F)(F)C2)c2ccccc2)cc1 ZINC000573083661 823445643 /nfs/dbraw/zinc/44/56/43/823445643.db2.gz HHJYRYWXSIOSOZ-NHCUHLMSSA-N 1 0 375.459 4.097 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)COc1ccccc1OCC(F)(F)F ZINC000177344292 823440896 /nfs/dbraw/zinc/44/08/96/823440896.db2.gz IYISUHRJJHPMHJ-UHFFFAOYSA-N 1 0 396.409 4.015 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1 ZINC000177343945 823440918 /nfs/dbraw/zinc/44/09/18/823440918.db2.gz POMNQEYIITVSFN-UHFFFAOYSA-N 1 0 392.503 4.067 20 0 GIADRO COc1cnccc1[C@@H](C)[NH2+]Cc1ccc(OCc2c(C)noc2C)c(OC)c1 ZINC000189573724 823447644 /nfs/dbraw/zinc/44/76/44/823447644.db2.gz ODVOSIUGABJBBG-CQSZACIVSA-N 1 0 397.475 4.133 20 0 GIADRO Cc1[nH]c2ccccc2c1C(=O)NC[C@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000025918547 820039181 /nfs/dbraw/zinc/03/91/81/820039181.db2.gz VFXAEWWPAGBKAA-JOCHJYFZSA-N 1 0 375.516 4.289 20 0 GIADRO c1cc(-c2ccc(-c3nc(-c4cccc(C[NH+]5CCCC5)c4)no3)s2)n[nH]1 ZINC000573138760 823453319 /nfs/dbraw/zinc/45/33/19/823453319.db2.gz XNMIQIWYSHWOHS-UHFFFAOYSA-N 1 0 377.473 4.451 20 0 GIADRO CCc1nn(C)c(CC)c1C[NH2+]Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2 ZINC000189577983 823449356 /nfs/dbraw/zinc/44/93/56/823449356.db2.gz WVZSILCNBZDLSD-UHFFFAOYSA-N 1 0 398.551 4.085 20 0 GIADRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)CCCc2ccc(Br)s2)C[C@@H](C)C1 ZINC000573118893 823449895 /nfs/dbraw/zinc/44/98/95/823449895.db2.gz TYBGFHJBBCVHBZ-SQWLQELKSA-N 1 0 399.398 4.022 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)N2CCC(N3CCc4ccccc43)CC2)cc1 ZINC000410295002 823453435 /nfs/dbraw/zinc/45/34/35/823453435.db2.gz SWHPMPQYECWJBO-UHFFFAOYSA-N 1 0 391.559 4.196 20 0 GIADRO COc1cccc([C@H](C)[NH2+]CCC(=O)Nc2cc(C)c(Cl)cc2OC)c1 ZINC000177398772 823453511 /nfs/dbraw/zinc/45/35/11/823453511.db2.gz LNUQXHYKUZRIEK-AWEZNQCLSA-N 1 0 376.884 4.345 20 0 GIADRO CCCn1nccc1C1CCN(C(=O)[C@H](c2ccccc2)[NH+](CC)CC)CC1 ZINC000410289547 823450652 /nfs/dbraw/zinc/45/06/52/823450652.db2.gz PDNOAVWLVDWGNI-QFIPXVFZSA-N 1 0 382.552 4.082 20 0 GIADRO CC(=O)Oc1ccc(C[N@H+](C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)cc1 ZINC000123031158 823450819 /nfs/dbraw/zinc/45/08/19/823450819.db2.gz MZZKHMVWVJPFFG-UHFFFAOYSA-N 1 0 381.451 4.206 20 0 GIADRO Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000026305094 820080175 /nfs/dbraw/zinc/08/01/75/820080175.db2.gz HEZXKXXOVNVLGM-GOSISDBHSA-N 1 0 397.906 4.131 20 0 GIADRO CN(C)[C@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1)c1ccccc1 ZINC000026304237 820080443 /nfs/dbraw/zinc/08/04/43/820080443.db2.gz SICNSUCQYQSYMO-XMMPIXPASA-N 1 0 397.526 4.327 20 0 GIADRO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]C[C@H](c1ccco1)N1CCCC1 ZINC000026308048 820080645 /nfs/dbraw/zinc/08/06/45/820080645.db2.gz DWTUZRYXPMFUQQ-HSZRJFAPSA-N 1 0 392.547 4.376 20 0 GIADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cc(C)c(C)cc2C)cc1 ZINC000026311766 820081667 /nfs/dbraw/zinc/08/16/67/820081667.db2.gz SUAHDRQUEHCKPJ-IBGZPJMESA-N 1 0 388.577 4.493 20 0 GIADRO COc1ccc(C[C@@H](C)C(=O)Nc2cc(C[NH+]3CCSCC3)ccc2C)cc1 ZINC000123055950 823454482 /nfs/dbraw/zinc/45/44/82/823454482.db2.gz RSHYZIHXSDWSSK-GOSISDBHSA-N 1 0 398.572 4.370 20 0 GIADRO Cc1csc(Nc2ccc(C(=O)N(CC[NH+](C)C)Cc3ccc(C)o3)cc2)n1 ZINC000573145093 823455017 /nfs/dbraw/zinc/45/50/17/823455017.db2.gz NEPOITDZDLDQGK-UHFFFAOYSA-N 1 0 398.532 4.301 20 0 GIADRO COCC[N@H+](Cc1c[nH]c2nccnc12)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000573145437 823455315 /nfs/dbraw/zinc/45/53/15/823455315.db2.gz DPVRCFRVXKHHHW-CYBMUJFWSA-N 1 0 378.398 4.138 20 0 GIADRO O[C@@H](COc1ccc(Oc2ccccc2)cc1)C[N@H+](Cc1ccccn1)C1CC1 ZINC000026713709 820135717 /nfs/dbraw/zinc/13/57/17/820135717.db2.gz XCXNDJPFFMCQQM-OAQYLSRUSA-N 1 0 390.483 4.278 20 0 GIADRO Fc1cc(C[N@@H+]2CCC[C@@H]2COc2ccc(Cl)cc2)c2c(c1)COCO2 ZINC000026724104 820136753 /nfs/dbraw/zinc/13/67/53/820136753.db2.gz FRNZHTLQYUZHSO-GOSISDBHSA-N 1 0 377.843 4.389 20 0 GIADRO CCN(CCC[NH+]1CCCC1)C(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1 ZINC000189606048 823456969 /nfs/dbraw/zinc/45/69/69/823456969.db2.gz AUILBLLMJVRWRU-HHHXNRCGSA-N 1 0 393.597 4.074 20 0 GIADRO O=C(Nc1ccc(Cl)c(F)c1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000410304781 823457424 /nfs/dbraw/zinc/45/74/24/823457424.db2.gz FTMRVONNCMICKY-UHFFFAOYSA-N 1 0 375.875 4.308 20 0 GIADRO COc1cc(Br)ccc1C[NH2+]C[C@@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000189610557 823457543 /nfs/dbraw/zinc/45/75/43/823457543.db2.gz AHFNLQXDKLEJAU-IUODEOHRSA-N 1 0 396.247 4.031 20 0 GIADRO CCCOc1ccc(OCC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000026949968 820168063 /nfs/dbraw/zinc/16/80/63/820168063.db2.gz CLEACGIUMNXYMM-UHFFFAOYSA-N 1 0 396.531 4.157 20 0 GIADRO O=C(N[C@H](c1cccs1)C1CC1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000410306672 823458050 /nfs/dbraw/zinc/45/80/50/823458050.db2.gz NXFRRZIITHRESZ-NRFANRHFSA-N 1 0 383.561 4.206 20 0 GIADRO Cc1ccc([C@@H](NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)C2CC2)cc1 ZINC000410307127 823458066 /nfs/dbraw/zinc/45/80/66/823458066.db2.gz QBUZAGOBIJKZFA-XMMPIXPASA-N 1 0 391.559 4.452 20 0 GIADRO O[C@]1(C[NH2+]Cc2ccc(Br)c(F)c2)CCC[C@H](C(F)(F)F)C1 ZINC000189613859 823458639 /nfs/dbraw/zinc/45/86/39/823458639.db2.gz JXXYBMHRJGIPIN-SMDDNHRTSA-N 1 0 384.211 4.161 20 0 GIADRO COc1ccc(C(=O)Nc2cccc(C[N@@H+]3CCCCC[C@H]3C[C@H](C)O)c2)cc1 ZINC000573167834 823458678 /nfs/dbraw/zinc/45/86/78/823458678.db2.gz ZPTVBOWDSBEHCY-AVRDEDQJSA-N 1 0 396.531 4.463 20 0 GIADRO C[C@H]1c2ccsc2CCN1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000410309801 823458993 /nfs/dbraw/zinc/45/89/93/823458993.db2.gz CPAJUGCSFSDRLD-KRWDZBQOSA-N 1 0 383.561 4.084 20 0 GIADRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CC2(CCC2)[C@@H]1C1CC1 ZINC000460623996 823459083 /nfs/dbraw/zinc/45/90/83/823459083.db2.gz XSPCFCOZDTYZIG-RTWAWAEBSA-N 1 0 381.564 4.261 20 0 GIADRO COc1cccc([C@@H](C)C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccc(C)s3)C2)c1 ZINC000573140021 823453853 /nfs/dbraw/zinc/45/38/53/823453853.db2.gz XCHCMFTYHDUXFR-QZTJIDSGSA-N 1 0 386.561 4.149 20 0 GIADRO CCCc1cc[n+](C(C(=O)c2ccc3c(c2)CCCC3)C(=S)NCC)cc1 ZINC000027056701 820186289 /nfs/dbraw/zinc/18/62/89/820186289.db2.gz ZJUOECZEJNALDN-UHFFFAOYSA-O 1 0 381.565 4.354 20 0 GIADRO CCOc1cccc2[nH]cc(CC(=O)NCc3ccc(C[NH+]4CCCC4)cc3)c21 ZINC000189621385 823460437 /nfs/dbraw/zinc/46/04/37/823460437.db2.gz XPEAXUYXFLRKOC-UHFFFAOYSA-N 1 0 391.515 4.021 20 0 GIADRO O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)N1CC[NH+](C2CCCC2)CC1 ZINC000027118644 820195876 /nfs/dbraw/zinc/19/58/76/820195876.db2.gz HFQKXYHTEMOBRS-JOCHJYFZSA-N 1 0 381.495 4.066 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC1(c2ccccc2)CCOCC1)CC3 ZINC000123091131 823460754 /nfs/dbraw/zinc/46/07/54/823460754.db2.gz YOBSXYJONMGFHP-LJQANCHMSA-N 1 0 390.527 4.372 20 0 GIADRO COc1ccc(Br)c(C[NH2+]C[C@]2(O)CCC[C@@H](C(F)(F)F)C2)c1 ZINC000189622711 823461156 /nfs/dbraw/zinc/46/11/56/823461156.db2.gz PTPNDJBBUBGJEV-DOMZBBRYSA-N 1 0 396.247 4.031 20 0 GIADRO COc1ccccc1[C@H](O)C[NH2+]Cc1c(C)nn(Cc2ccc(Cl)cc2)c1C ZINC000123093484 823461210 /nfs/dbraw/zinc/46/12/10/823461210.db2.gz MUTLMWZHNFNYSI-OAQYLSRUSA-N 1 0 399.922 4.033 20 0 GIADRO COc1cccc(C(=O)C(C(=S)Nc2ccc(F)cc2)[n+]2ccccc2)c1 ZINC000027194046 820208482 /nfs/dbraw/zinc/20/84/82/820208482.db2.gz SOPFJQSUTCWKGC-UHFFFAOYSA-O 1 0 381.452 4.173 20 0 GIADRO O=C(NC[C@H]1CCCO[C@@H]1c1ccccc1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177435472 823461650 /nfs/dbraw/zinc/46/16/50/823461650.db2.gz JJWUOHDJORBFLX-NFBKMPQASA-N 1 0 399.579 4.251 20 0 GIADRO CCCN1C(=O)c2ccccc2N[C@H]1c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000027215859 820210718 /nfs/dbraw/zinc/21/07/18/820210718.db2.gz WQGXRXAGECTFDT-JOCHJYFZSA-N 1 0 379.504 4.138 20 0 GIADRO C[C@H](Oc1ccccc1Cl)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000058879819 823465468 /nfs/dbraw/zinc/46/54/68/823465468.db2.gz MBVZYBNVBVRDPS-KRWDZBQOSA-N 1 0 378.944 4.222 20 0 GIADRO C[C@H](C(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccc(Br)s1 ZINC000177438534 823462241 /nfs/dbraw/zinc/46/22/41/823462241.db2.gz GMGBALYLNHUICW-LBPRGKRZSA-N 1 0 385.371 4.137 20 0 GIADRO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F)C1CCCCC1 ZINC000027286667 820221280 /nfs/dbraw/zinc/22/12/80/820221280.db2.gz ASLJCHWMPJLGHU-UHFFFAOYSA-N 1 0 385.430 4.257 20 0 GIADRO C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000123101187 823462386 /nfs/dbraw/zinc/46/23/86/823462386.db2.gz JOVJVUIJYGURFC-IRXDYDNUSA-N 1 0 387.545 4.390 20 0 GIADRO CC(C)(C)c1nc(CN2CC[NH+](CCCCC3CCOCC3)CC2)cs1 ZINC000410321894 823462437 /nfs/dbraw/zinc/46/24/37/823462437.db2.gz QKWFKLAJVUXTQQ-UHFFFAOYSA-N 1 0 379.614 4.155 20 0 GIADRO COc1cccc([C@@H](CNC(=O)CSc2ccccc2C)[NH+]2CCCC2)c1 ZINC000027340205 820227116 /nfs/dbraw/zinc/22/71/16/820227116.db2.gz SNNDJBPQWXNVHB-HXUWFJFHSA-N 1 0 384.545 4.049 20 0 GIADRO COc1cccc([C@H](CNC(=O)CSc2ccccc2C)[NH+]2CCCC2)c1 ZINC000027340207 820227207 /nfs/dbraw/zinc/22/72/07/820227207.db2.gz SNNDJBPQWXNVHB-FQEVSTJZSA-N 1 0 384.545 4.049 20 0 GIADRO C[C@@H](Cc1ccc(O)cc1)[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000123103665 823462799 /nfs/dbraw/zinc/46/27/99/823462799.db2.gz ZDLLJILBTACKAM-HNNXBMFYSA-N 1 0 376.903 4.370 20 0 GIADRO COc1cccc([C@@H](CNC(=O)c2oc3c(cccc3F)c2C)[NH+]2CCCC2)c1 ZINC000027341212 820227963 /nfs/dbraw/zinc/22/79/63/820227963.db2.gz LKYSBVCQEOSYGO-HXUWFJFHSA-N 1 0 396.462 4.456 20 0 GIADRO COc1ccc(CCC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000027343779 820228316 /nfs/dbraw/zinc/22/83/16/820228316.db2.gz FJTZEIDHYPILTK-NRFANRHFSA-N 1 0 386.923 4.235 20 0 GIADRO COc1ccc(CC[C@H](C)NC(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000177441344 823462930 /nfs/dbraw/zinc/46/29/30/823462930.db2.gz JQICNTDGRFWDCQ-SFHVURJKSA-N 1 0 387.568 4.113 20 0 GIADRO Cc1nc(CSc2ccc(C(=O)N[C@@H]3CCC[C@H]([NH+](C)C)C3)cc2)cs1 ZINC000177444314 823463127 /nfs/dbraw/zinc/46/31/27/823463127.db2.gz OKBRGEWACWOQGY-AEFFLSMTSA-N 1 0 389.590 4.346 20 0 GIADRO C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000410331466 823465418 /nfs/dbraw/zinc/46/54/18/823465418.db2.gz ZHMCPCPLBKCSCJ-MEDUHNTESA-N 1 0 387.332 4.241 20 0 GIADRO CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)N3CC[NH+](C(C)C)CC3)ccc21 ZINC000027420005 820242154 /nfs/dbraw/zinc/24/21/54/820242154.db2.gz CRGLWYXTCBBLKL-GOSISDBHSA-N 1 0 392.547 4.167 20 0 GIADRO COc1cccc(CCNC(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)c1 ZINC000410325079 823463714 /nfs/dbraw/zinc/46/37/14/823463714.db2.gz VYQKFWWXHKVVGJ-IBGZPJMESA-N 1 0 395.547 4.112 20 0 GIADRO O=C(NCc1cccc(Br)c1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177446406 823463779 /nfs/dbraw/zinc/46/37/79/823463779.db2.gz SSJFYQHJLBIDDG-UHFFFAOYSA-N 1 0 394.357 4.045 20 0 GIADRO Cc1ccc(-c2c[nH]cc2C(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)s1 ZINC000189637079 823463881 /nfs/dbraw/zinc/46/38/81/823463881.db2.gz XFFXOOWAIOYUQJ-YWZLYKJASA-N 1 0 394.544 4.087 20 0 GIADRO CC(C)[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccccc1 ZINC000027451084 820246895 /nfs/dbraw/zinc/24/68/95/820246895.db2.gz VAMLQYMXZGIEQP-VGOFRKELSA-N 1 0 379.504 4.127 20 0 GIADRO Cc1ccc(C(=O)C(C(=S)NC2CCCCC2)[n+]2ccc(N(C)C)cc2)cc1 ZINC000027460649 820247356 /nfs/dbraw/zinc/24/73/56/820247356.db2.gz NEFNNGUQFYPEFQ-UHFFFAOYSA-O 1 0 396.580 4.210 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)Nc1cc(Cl)ccc1F)[NH+]1CCCC1 ZINC000058865066 823464007 /nfs/dbraw/zinc/46/40/07/823464007.db2.gz VPWLSSCEKNHFOB-SFHVURJKSA-N 1 0 391.874 4.446 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)CCSc2ccnc3cc(Cl)ccc32)CC[N@@H+]1C ZINC000177447732 823464035 /nfs/dbraw/zinc/46/40/35/823464035.db2.gz PBBOMRYMGBGEOO-ZBFHGGJFSA-N 1 0 391.968 4.312 20 0 GIADRO COc1cccc([C@@H](O)C[NH2+]Cc2c(C)nn(Cc3ccc(Cl)cc3)c2C)c1 ZINC000123113034 823464524 /nfs/dbraw/zinc/46/45/24/823464524.db2.gz ZMPXMQUTMKNWAP-QFIPXVFZSA-N 1 0 399.922 4.033 20 0 GIADRO CCOc1cccc2[nH]cc(CC(=O)NC[C@@H](c3ccccc3)[NH+]3CCCC3)c21 ZINC000189638514 823464597 /nfs/dbraw/zinc/46/45/97/823464597.db2.gz WSJCHWLSOIHMEF-NRFANRHFSA-N 1 0 391.515 4.062 20 0 GIADRO C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000410331465 823465562 /nfs/dbraw/zinc/46/55/62/823465562.db2.gz ZHMCPCPLBKCSCJ-BZNIZROVSA-N 1 0 387.332 4.241 20 0 GIADRO CC(=O)c1ccc(-c2ccc(C(=O)NC[C@H](Cc3ccccc3)[NH+](C)C)o2)cc1 ZINC000027582053 820263459 /nfs/dbraw/zinc/26/34/59/820263459.db2.gz ABDKOIAKVSSMNA-NRFANRHFSA-N 1 0 390.483 4.052 20 0 GIADRO C[C@H](Oc1ccc(Cl)cc1)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000027605023 820266067 /nfs/dbraw/zinc/26/60/67/820266067.db2.gz CQOLBGVVEOIEAE-YOEHRIQHSA-N 1 0 378.925 4.122 20 0 GIADRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+][C@H](C)C(=O)N(C)C(C)C)s2)cc1 ZINC000177452205 823465988 /nfs/dbraw/zinc/46/59/88/823465988.db2.gz AZGJPFNRYJALKL-UKRRQHHQSA-N 1 0 375.538 4.033 20 0 GIADRO CC1CC[NH+](Cc2ccc(CNC(=O)N3CCC[C@H]3c3cccn3C)cc2)CC1 ZINC000410334195 823466052 /nfs/dbraw/zinc/46/60/52/823466052.db2.gz BQTPGJKYIQWENW-QHCPKHFHSA-N 1 0 394.563 4.304 20 0 GIADRO Cc1oc(-c2ccccc2)nc1CC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000058881630 823466068 /nfs/dbraw/zinc/46/60/68/823466068.db2.gz RZCFXIVLAYGYHW-UHFFFAOYSA-N 1 0 395.547 4.307 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1cc(Br)ccc1Cl)c1cccs1 ZINC000027676297 820273479 /nfs/dbraw/zinc/27/34/79/820273479.db2.gz QPQPYJNPEPAFDV-ZDUSSCGKSA-N 1 0 387.730 4.197 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C1CCN(c2ccccc2)CC1)CC3 ZINC000123125468 823466545 /nfs/dbraw/zinc/46/65/45/823466545.db2.gz WZKANLDRXDFEQB-SFHVURJKSA-N 1 0 375.516 4.292 20 0 GIADRO COc1ccc(OC)c(NC(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)c1 ZINC000410335645 823466583 /nfs/dbraw/zinc/46/65/83/823466583.db2.gz UXOLJIUPHSQNKK-UHFFFAOYSA-N 1 0 397.519 4.257 20 0 GIADRO c1ccc(Cc2noc(CN3CC[NH+](Cc4cccc5ccccc54)CC3)n2)cc1 ZINC000027721815 820280183 /nfs/dbraw/zinc/28/01/83/820280183.db2.gz KWQNJQHZSUQEFB-UHFFFAOYSA-N 1 0 398.510 4.131 20 0 GIADRO CC[C@@H](NC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1)c1nccs1 ZINC000123128383 823466815 /nfs/dbraw/zinc/46/68/15/823466815.db2.gz YUBBMJUBJGAJOC-LJQANCHMSA-N 1 0 386.565 4.326 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)NCc1cccc(Cl)c1 ZINC000058888102 823466930 /nfs/dbraw/zinc/46/69/30/823466930.db2.gz CTNFXTJVAQALDD-UHFFFAOYSA-N 1 0 375.900 4.382 20 0 GIADRO C[C@@H](Sc1ccc(Br)cc1)C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000058891369 823467230 /nfs/dbraw/zinc/46/72/30/823467230.db2.gz JSOGWFNYVORWFA-QLFBSQMISA-N 1 0 399.398 4.166 20 0 GIADRO O=C(NCC(F)(F)F)C1CC[NH+](Cc2sc3ccccc3c2Cl)CC1 ZINC000027781134 820286657 /nfs/dbraw/zinc/28/66/57/820286657.db2.gz IDTBMRFCLADXFZ-UHFFFAOYSA-N 1 0 390.858 4.445 20 0 GIADRO O=C(NC1CC[NH+](C2CCCC2)CC1)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000177458733 823467408 /nfs/dbraw/zinc/46/74/08/823467408.db2.gz CPVFSMYAKXRHRF-ZWKOTPCHSA-N 1 0 396.453 4.212 20 0 GIADRO O[C@@H](C[C@H]1CCCCC[N@@H+]1Cc1cc(F)cc2c1OCOC2)c1ccco1 ZINC000177458703 823467460 /nfs/dbraw/zinc/46/74/60/823467460.db2.gz MTZHEDXMSZDXDF-MOPGFXCFSA-N 1 0 375.440 4.154 20 0 GIADRO COc1ccc2ccccc2c1CN(C(=O)N[C@H]1CC[NH2+][C@@H](C)C1)C1CCCC1 ZINC000573225399 823467854 /nfs/dbraw/zinc/46/78/54/823467854.db2.gz FPTLWOHDHTWZSX-HKUYNNGSSA-N 1 0 395.547 4.443 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@@H]2CCCN(CC(C)(C)C)C2=O)ccc1OC(C)C ZINC000460654030 823467907 /nfs/dbraw/zinc/46/79/07/823467907.db2.gz BVNJERBKZSWKGA-SJLPKXTDSA-N 1 0 376.541 4.170 20 0 GIADRO C[C@H](NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)c1cccc(F)c1F ZINC000460654411 823467920 /nfs/dbraw/zinc/46/79/20/823467920.db2.gz GWJRVFHDIKGAMG-YTQUADARSA-N 1 0 399.485 4.189 20 0 GIADRO O=C(CCCc1c[nH]c2ccccc12)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000027939206 820299324 /nfs/dbraw/zinc/29/93/24/820299324.db2.gz IVPSKOLYAAEHLU-UHFFFAOYSA-N 1 0 389.543 4.314 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCc3sccc3C2)C1 ZINC000410354064 823471423 /nfs/dbraw/zinc/47/14/23/823471423.db2.gz PBIFVENGOXWRSN-QGZVFWFLSA-N 1 0 383.561 4.248 20 0 GIADRO Cc1nc(CSc2ccc(C(=O)NCCC[NH+]3CCCCC3)cc2)cs1 ZINC000028062539 820308414 /nfs/dbraw/zinc/30/84/14/820308414.db2.gz FOXVVYZSLPQJOH-UHFFFAOYSA-N 1 0 389.590 4.350 20 0 GIADRO Cc1ccc(CNC(=O)C2CC[NH+](CCc3ccccc3Cl)CC2)cc1F ZINC000058907654 823468976 /nfs/dbraw/zinc/46/89/76/823468976.db2.gz TWGRMYDIYVEFCW-UHFFFAOYSA-N 1 0 388.914 4.358 20 0 GIADRO COc1cc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)ccc1OC(F)F ZINC000028162013 820314500 /nfs/dbraw/zinc/31/45/00/820314500.db2.gz WAGSEMLUMCGRPJ-UHFFFAOYSA-N 1 0 376.403 4.145 20 0 GIADRO Cc1c(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000028167572 820314802 /nfs/dbraw/zinc/31/48/02/820314802.db2.gz SRZNHDJRVSKIHY-UHFFFAOYSA-N 1 0 379.504 4.326 20 0 GIADRO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1cccc(OC[C@H]2CCCO2)c1 ZINC000028177329 820316100 /nfs/dbraw/zinc/31/61/00/820316100.db2.gz ZGAZJDFYZZRHBQ-JOCHJYFZSA-N 1 0 380.488 4.093 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N(Cc2ccccn2)C2CC2)cc1 ZINC000410347040 823469325 /nfs/dbraw/zinc/46/93/25/823469325.db2.gz YFWBUMQMVJHNIF-LJQANCHMSA-N 1 0 392.547 4.330 20 0 GIADRO CO[C@H](CNC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1ccccc1 ZINC000410354362 823471505 /nfs/dbraw/zinc/47/15/05/823471505.db2.gz PNWXZQYOPGJIBG-AUSIDOKSSA-N 1 0 395.547 4.105 20 0 GIADRO COc1ccc([C@@H](Cc2ccccc2)[NH2+][C@H]2CCN(c3ncccc3F)C2)cc1 ZINC000573254803 823471497 /nfs/dbraw/zinc/47/14/97/823471497.db2.gz YMXQFOFLUVGRDL-NZQKXSOJSA-N 1 0 391.490 4.382 20 0 GIADRO O=C(NCc1csc(-c2ccccc2)n1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000028240369 820319866 /nfs/dbraw/zinc/31/98/66/820319866.db2.gz OCASXTQHFLLPAE-HXUWFJFHSA-N 1 0 377.513 4.091 20 0 GIADRO CC[N@H+](Cc1ccc(OC)c(OC)c1)Cc1ccc(C)cc1-c1cnn(C)c1 ZINC000573256186 823471525 /nfs/dbraw/zinc/47/15/25/823471525.db2.gz CNKOCZPWIDLMDV-UHFFFAOYSA-N 1 0 379.504 4.435 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cc2cc(Cl)ccc2o1 ZINC000028249060 820320343 /nfs/dbraw/zinc/32/03/43/820320343.db2.gz LILCVAUEOLFZJW-UHFFFAOYSA-N 1 0 383.879 4.399 20 0 GIADRO COc1cc(C[NH2+][C@H](C)c2cccc3ccccc32)cc(Cl)c1OCC(N)=O ZINC000028308022 820323873 /nfs/dbraw/zinc/32/38/73/820323873.db2.gz CULWTMBCLKMFNB-CQSZACIVSA-N 1 0 398.890 4.217 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1Cl)c1ccc(NC(=O)C2CC2)cc1 ZINC000028349310 820327756 /nfs/dbraw/zinc/32/77/56/820327756.db2.gz IVSOXPVIQGISKF-KGLIPLIRSA-N 1 0 385.895 4.366 20 0 GIADRO O=C(CCc1ncc(-c2ccccc2Cl)o1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000058919262 823470242 /nfs/dbraw/zinc/47/02/42/823470242.db2.gz RESOGVJBPHIYRZ-INIZCTEOSA-N 1 0 387.911 4.014 20 0 GIADRO COc1cccc(CC[NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)c1OC ZINC000573247751 823470383 /nfs/dbraw/zinc/47/03/83/823470383.db2.gz KVWJPMHUFAYFDX-OAQYLSRUSA-N 1 0 380.532 4.033 20 0 GIADRO Cc1ccc(NC(=O)[C@@H]([NH2+]CCOc2ccc(F)cc2)c2ccccc2)cc1 ZINC000028388808 820331491 /nfs/dbraw/zinc/33/14/91/820331491.db2.gz YNEKXNHAJSBNBL-QFIPXVFZSA-N 1 0 378.447 4.483 20 0 GIADRO CC[C@H](CNC(=O)N(C)Cc1ccc(Cl)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000028392648 820332339 /nfs/dbraw/zinc/33/23/39/820332339.db2.gz VYMCKYLKCNBKTN-OAQYLSRUSA-N 1 0 385.939 4.318 20 0 GIADRO COc1ccc2cc(CN(C)C(=O)NCc3cccc(C[NH+](C)C)c3)ccc2c1 ZINC000028398803 820332945 /nfs/dbraw/zinc/33/29/45/820332945.db2.gz GPLKRRBFFLSFND-UHFFFAOYSA-N 1 0 391.515 4.252 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)N[C@H](C)Cc1cccs1)c1cccc(OC)c1 ZINC000028413893 820334645 /nfs/dbraw/zinc/33/46/45/820334645.db2.gz NEOGBDJOTSYKEV-UZLBHIALSA-N 1 0 389.565 4.070 20 0 GIADRO COCc1ccc(CNC(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000028421051 820334809 /nfs/dbraw/zinc/33/48/09/820334809.db2.gz FKJXQPMDTJYAOM-UHFFFAOYSA-N 1 0 395.547 4.064 20 0 GIADRO CCOc1cccc(CNC(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000410351278 823470729 /nfs/dbraw/zinc/47/07/29/823470729.db2.gz GOLOVTWRMCCXJA-IBGZPJMESA-N 1 0 395.547 4.317 20 0 GIADRO C[NH+](C)CCOc1cccc(CNC(=O)C2(c3cccc(Cl)c3)CCC2)c1 ZINC000058922053 823470682 /nfs/dbraw/zinc/47/06/82/823470682.db2.gz HQQRQDKCZHKGSA-UHFFFAOYSA-N 1 0 386.923 4.019 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCCc2ccc(F)c(F)c2)CC1 ZINC000189668058 823470976 /nfs/dbraw/zinc/47/09/76/823470976.db2.gz XVVXIWXCSKALEX-MRXNPFEDSA-N 1 0 387.474 4.032 20 0 GIADRO CC[N@@H+]1CC[C@H](CNC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC000058924427 823471064 /nfs/dbraw/zinc/47/10/64/823471064.db2.gz BQSSGCMBJVJYRW-CYBMUJFWSA-N 1 0 396.318 4.039 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)NCC2(c3ccc(F)cc3)CC2)CC1 ZINC000410355001 823471837 /nfs/dbraw/zinc/47/18/37/823471837.db2.gz REISHIJEUGLHQY-UHFFFAOYSA-N 1 0 395.522 4.130 20 0 GIADRO O=C(Nc1cccc(OCCF)c1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000123196633 823477175 /nfs/dbraw/zinc/47/71/75/823477175.db2.gz DUNFMVKFOZZUAO-SEJPIABJSA-N 1 0 397.494 4.352 20 0 GIADRO C[C@H](CCc1ccco1)NC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000410357294 823472777 /nfs/dbraw/zinc/47/27/77/823472777.db2.gz DGMPIZWUMOQWQG-MOPGFXCFSA-N 1 0 383.536 4.475 20 0 GIADRO CCc1nnc(-c2ccc(NC(=O)NC[C@@H](c3ccc(C)cc3)[NH+](C)C)cc2)o1 ZINC000177483000 823472833 /nfs/dbraw/zinc/47/28/33/823472833.db2.gz MPPXXKXRLQXKEM-IBGZPJMESA-N 1 0 393.491 4.032 20 0 GIADRO CCN(CCC[NH+]1CCCC1)C(=O)Nc1ccc(OCC(F)(F)F)c(C)c1 ZINC000189674477 823472850 /nfs/dbraw/zinc/47/28/50/823472850.db2.gz WKBJZTBDIGOHJZ-UHFFFAOYSA-N 1 0 387.446 4.276 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCCN(CC(C)(C)C)C1=O)c1ccc(OCC(F)(F)F)cc1 ZINC000460682111 823477271 /nfs/dbraw/zinc/47/72/71/823477271.db2.gz ZXADKYUOBHGFBH-PBHICJAKSA-N 1 0 386.458 4.315 20 0 GIADRO O=C(CCOc1ccc(Cl)cc1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000058941898 823473654 /nfs/dbraw/zinc/47/36/54/823473654.db2.gz VQAIFWCFJWYIIJ-UHFFFAOYSA-N 1 0 386.923 4.411 20 0 GIADRO O=C(CCN1CC[NH+](Cc2cccs2)CC1)Nc1cc(Cl)ccc1Cl ZINC000028886537 820366682 /nfs/dbraw/zinc/36/66/82/820366682.db2.gz VFIDFDPLEFWELN-UHFFFAOYSA-N 1 0 398.359 4.201 20 0 GIADRO O=C(CC[NH+]1CCN(Cc2ccsc2)CC1)Nc1c(Cl)cccc1Cl ZINC000028890164 820367599 /nfs/dbraw/zinc/36/75/99/820367599.db2.gz JYJBKGQCIGYDPC-UHFFFAOYSA-N 1 0 398.359 4.201 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1)C(=O)Nc1c(F)cccc1F ZINC000028893813 820368467 /nfs/dbraw/zinc/36/84/67/820368467.db2.gz SXLXSSYXVCROFO-WDEREUQCSA-N 1 0 383.236 4.405 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc(Br)cc1)C(=O)Nc1c(F)cccc1F ZINC000028893823 820368591 /nfs/dbraw/zinc/36/85/91/820368591.db2.gz SXLXSSYXVCROFO-GHMZBOCLSA-N 1 0 383.236 4.405 20 0 GIADRO CO[C@H](CNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000410361067 823474159 /nfs/dbraw/zinc/47/41/59/823474159.db2.gz UIJULIGEPRIPQV-AUSIDOKSSA-N 1 0 395.547 4.105 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)c1 ZINC000028917896 820372574 /nfs/dbraw/zinc/37/25/74/820372574.db2.gz DZAOGIGMVIVENF-SJCJKPOMSA-N 1 0 397.302 4.042 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)c1 ZINC000028918161 820372986 /nfs/dbraw/zinc/37/29/86/820372986.db2.gz GCQNWYWBWLWKPS-GXZWQRSESA-N 1 0 390.911 4.088 20 0 GIADRO C[C@H]1C[NH+](CCC2CCN(Cc3csc(-c4ccoc4)n3)CC2)C[C@H](C)O1 ZINC000177490222 823474782 /nfs/dbraw/zinc/47/47/82/823474782.db2.gz WCDHSTLKOXJAOQ-IRXDYDNUSA-N 1 0 389.565 4.114 20 0 GIADRO C[N@H+](C[C@@H](O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C1CC1 ZINC000573295349 823477446 /nfs/dbraw/zinc/47/74/46/823477446.db2.gz QMBWWCDOPLJXOP-LJQANCHMSA-N 1 0 379.529 4.291 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000058952373 823475010 /nfs/dbraw/zinc/47/50/10/823475010.db2.gz UBJOPCVFIVPYGN-LVMGUKCRSA-N 1 0 393.487 4.156 20 0 GIADRO O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000029117264 820395545 /nfs/dbraw/zinc/39/55/45/820395545.db2.gz IBZRTDCGUBCHQO-JOCHJYFZSA-N 1 0 382.479 4.025 20 0 GIADRO COc1cc(OC)c(NC(=O)C[NH2+][C@H](c2ccccc2)C(C)C)cc1Cl ZINC000029117207 820395626 /nfs/dbraw/zinc/39/56/26/820395626.db2.gz IWNOKMLBHYMOOA-FQEVSTJZSA-N 1 0 376.884 4.283 20 0 GIADRO CCc1cccc(NC(=O)NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c1 ZINC000410365621 823475840 /nfs/dbraw/zinc/47/58/40/823475840.db2.gz DYWTVTCLRRVXAW-QZTJIDSGSA-N 1 0 381.520 4.180 20 0 GIADRO O=C(CCC(=O)c1ccc(Cl)cc1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000029177420 820406195 /nfs/dbraw/zinc/40/61/95/820406195.db2.gz KITFULJJIFDNHT-HXUWFJFHSA-N 1 0 384.907 4.256 20 0 GIADRO O=C(Cc1csc(-c2ccccc2)n1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000029177756 820406270 /nfs/dbraw/zinc/40/62/70/820406270.db2.gz ODBUGAVLHHMZHP-OAQYLSRUSA-N 1 0 391.540 4.306 20 0 GIADRO CCc1ccc(C(=O)CCC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000029177818 820406331 /nfs/dbraw/zinc/40/63/31/820406331.db2.gz OZRVCVLKCUGOEH-QFIPXVFZSA-N 1 0 378.516 4.165 20 0 GIADRO C[C@H]([NH2+][C@H]1CCCN(CC(C)(C)C)C1=O)c1ccc(OCC(F)(F)F)cc1 ZINC000460682114 823477568 /nfs/dbraw/zinc/47/75/68/823477568.db2.gz ZXADKYUOBHGFBH-YOEHRIQHSA-N 1 0 386.458 4.315 20 0 GIADRO CC[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000058959268 823476398 /nfs/dbraw/zinc/47/63/98/823476398.db2.gz SKRUZPPBHXHPMU-IPMKNSEASA-N 1 0 382.470 4.446 20 0 GIADRO Cc1c(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)cnn1-c1cccc(C)c1 ZINC000029179691 820407868 /nfs/dbraw/zinc/40/78/68/820407868.db2.gz VQCBZJPIPHUPKD-HSZRJFAPSA-N 1 0 388.515 4.056 20 0 GIADRO CC1CCC(N(C)C(=O)NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000410366772 823476508 /nfs/dbraw/zinc/47/65/08/823476508.db2.gz RDQSHXSBIVMUER-QLIQKORZSA-N 1 0 387.568 4.016 20 0 GIADRO Cc1c(C(=O)NCCC[N@@H+](C)Cc2ccccc2)cnn1-c1ccc(Cl)cc1 ZINC000029192981 820409055 /nfs/dbraw/zinc/40/90/55/820409055.db2.gz NAUVNAMEJMJZRV-UHFFFAOYSA-N 1 0 396.922 4.086 20 0 GIADRO Cc1cc([C@@H]2CCCN2C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)on1 ZINC000410371374 823478457 /nfs/dbraw/zinc/47/84/57/823478457.db2.gz DJKAHTNNZNBPDW-NQIIRXRSSA-N 1 0 396.535 4.404 20 0 GIADRO CCSc1ccc(Cl)cc1C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000177511700 823479618 /nfs/dbraw/zinc/47/96/18/823479618.db2.gz GVDXFCYFHAQRTE-UHFFFAOYSA-N 1 0 396.984 4.169 20 0 GIADRO C[C@H]1C[NH+](CCC2CCN(Cc3ncc(-c4ccccc4)o3)CC2)C[C@H](C)O1 ZINC000177512320 823480015 /nfs/dbraw/zinc/48/00/15/823480015.db2.gz TZBCJDBBXMIKPM-OALUTQOASA-N 1 0 383.536 4.053 20 0 GIADRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)CCSc1ccc(F)cc1 ZINC000058991530 823480368 /nfs/dbraw/zinc/48/03/68/823480368.db2.gz VIXJGWWCNMMHDP-UHFFFAOYSA-N 1 0 378.488 4.037 20 0 GIADRO CC(=O)c1cccc(NC(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000410376164 823480637 /nfs/dbraw/zinc/48/06/37/823480637.db2.gz RYNXKAGFBOAQHY-QGZVFWFLSA-N 1 0 379.504 4.443 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)c1 ZINC000460689405 823481116 /nfs/dbraw/zinc/48/11/16/823481116.db2.gz BIEBLQBGDHUMPC-RBUKOAKNSA-N 1 0 377.315 4.475 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1ccc(-c2ccccc2F)o1 ZINC000059001629 823481270 /nfs/dbraw/zinc/48/12/70/823481270.db2.gz GGMQHYRUZHGYTN-UHFFFAOYSA-N 1 0 384.426 4.429 20 0 GIADRO Oc1ccc2ccncc2c1C[NH+]1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000029542187 820473479 /nfs/dbraw/zinc/47/34/79/820473479.db2.gz WSPQLTBDSNSJFN-UHFFFAOYSA-N 1 0 385.870 4.051 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCC[C@@H]3c3cccn3C)cc2)C1 ZINC000410380659 823481746 /nfs/dbraw/zinc/48/17/46/823481746.db2.gz HRBPJFUETQAQGC-AUSIDOKSSA-N 1 0 394.563 4.304 20 0 GIADRO C[NH+]1CCN(c2ccc(NC(=O)C3(c4ccc(F)cc4)CCCC3)cc2)CC1 ZINC000059005803 823482071 /nfs/dbraw/zinc/48/20/71/823482071.db2.gz GQWUBYUHSICQNX-UHFFFAOYSA-N 1 0 381.495 4.028 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@H](C)Cc1ccc(OC)c(OC)c1)CC3 ZINC000123228820 823482114 /nfs/dbraw/zinc/48/21/14/823482114.db2.gz JVSLEAPNFBLIFL-WBVHZDCISA-N 1 0 394.515 4.272 20 0 GIADRO CC[NH+](CC)[C@@H](CNc1cc(C)nc2nc(C(F)(F)F)nn21)c1ccsc1 ZINC000029622847 820486272 /nfs/dbraw/zinc/48/62/72/820486272.db2.gz BDNQVSKFICSLHV-ZDUSSCGKSA-N 1 0 398.458 4.008 20 0 GIADRO Cc1cccc(OCCCCC(=O)N(C)C2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000059010993 823482937 /nfs/dbraw/zinc/48/29/37/823482937.db2.gz SDFRQEYDXNQBNA-UHFFFAOYSA-N 1 0 395.547 4.062 20 0 GIADRO CC1CC[NH+]([C@H](CNC(=O)NCc2ccccc2F)c2cccs2)CC1 ZINC000029655179 820494369 /nfs/dbraw/zinc/49/43/69/820494369.db2.gz TZEZSLSGKVMHKE-GOSISDBHSA-N 1 0 375.513 4.160 20 0 GIADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccccc2NC(=O)c2ccccc2)C1 ZINC000059018187 823483869 /nfs/dbraw/zinc/48/38/69/823483869.db2.gz UHXVFQRCGGQXET-RTBURBONSA-N 1 0 393.531 4.037 20 0 GIADRO C[C@H]1CCc2[nH]c3ccc(C(=O)NC[C@@H](c4cccs4)[NH+](C)C)cc3c2C1 ZINC000029694537 820499441 /nfs/dbraw/zinc/49/94/41/820499441.db2.gz KGXCEARLTZFZHG-XOBRGWDASA-N 1 0 381.545 4.387 20 0 GIADRO COc1cc(C)c(Br)cc1NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000573357638 823484098 /nfs/dbraw/zinc/48/40/98/823484098.db2.gz GYUWDHGXGFKWLL-HNNXBMFYSA-N 1 0 377.282 4.185 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)cc1 ZINC000029711568 820503737 /nfs/dbraw/zinc/50/37/37/820503737.db2.gz BKQJOSYCCZKWKE-SJORKVTESA-N 1 0 383.492 4.090 20 0 GIADRO COc1ccc([C@H](NC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)C2CC2)cc1 ZINC000029729069 820508071 /nfs/dbraw/zinc/50/80/71/820508071.db2.gz XCHFLDWPYQUOFN-XZOQPEGZSA-N 1 0 393.531 4.283 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)NCc1ccc(Cl)s1)c1cccc(OC)c1 ZINC000029731798 820508663 /nfs/dbraw/zinc/50/86/63/820508663.db2.gz FDRNISSPCBTCSO-KRWDZBQOSA-N 1 0 395.956 4.292 20 0 GIADRO O=C(COc1ccc(Cl)c(Cl)c1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000029758468 820511285 /nfs/dbraw/zinc/51/12/85/820511285.db2.gz NDNHDHVAKDCHST-QGZVFWFLSA-N 1 0 397.302 4.309 20 0 GIADRO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCN(c2ccccc2Cl)C1 ZINC000573369519 823485435 /nfs/dbraw/zinc/48/54/35/823485435.db2.gz HJJGFZDLHNLLDJ-SFHVURJKSA-N 1 0 383.923 4.401 20 0 GIADRO CC(=O)Nc1cccc(C[NH2+]Cc2cn(Cc3ccccc3)nc2C(C)(C)C)c1 ZINC000123252492 823485624 /nfs/dbraw/zinc/48/56/24/823485624.db2.gz FMTKZTILSGJQDI-UHFFFAOYSA-N 1 0 390.531 4.477 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(COC(C)C)cc3)cc2)CC1 ZINC000029798793 820521078 /nfs/dbraw/zinc/52/10/78/820521078.db2.gz BEDDNFAMQCMBPJ-UHFFFAOYSA-N 1 0 381.520 4.006 20 0 GIADRO CC(=O)c1c(C)[nH]c(C(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)c1C ZINC000059286567 823489676 /nfs/dbraw/zinc/48/96/76/823489676.db2.gz KHQDNAUYUZULLT-HZPDHXFCSA-N 1 0 395.547 4.242 20 0 GIADRO C[C@@H](c1ccccc1Cl)N1CC[NH+](Cc2c(O)ccc3ccncc32)CC1 ZINC000029888894 820539984 /nfs/dbraw/zinc/53/99/84/820539984.db2.gz KGXHPZVIVHQBFX-INIZCTEOSA-N 1 0 381.907 4.473 20 0 GIADRO COc1ccccc1[C@H](C[NH2+][C@@H](C[C@H]1CCCO1)c1ccc(F)cc1)N(C)C ZINC000573409900 823489767 /nfs/dbraw/zinc/48/97/67/823489767.db2.gz TTYICLNNBZVDHC-HJNYFJLDSA-N 1 0 386.511 4.337 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000029907691 820545201 /nfs/dbraw/zinc/54/52/01/820545201.db2.gz MOZJTRCSSAZKGQ-UHFFFAOYSA-N 1 0 394.906 4.256 20 0 GIADRO CC[C@H](CNC(=O)c1csc(Br)c1)[N@@H+]1CCc2ccccc2C1 ZINC000029912799 820546617 /nfs/dbraw/zinc/54/66/17/820546617.db2.gz OVSVQNCYLZPJNN-MRXNPFEDSA-N 1 0 393.350 4.077 20 0 GIADRO CC[C@@H](CNC(=O)c1cc2ccc(F)cc2nc1C)[N@@H+]1CCc2ccccc2C1 ZINC000029911717 820546891 /nfs/dbraw/zinc/54/68/91/820546891.db2.gz XNIGTCMSKDMZMF-NRFANRHFSA-N 1 0 391.490 4.249 20 0 GIADRO C[C@@H](C1CC1)n1cc(NC(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)cn1 ZINC000189751730 823487868 /nfs/dbraw/zinc/48/78/68/823487868.db2.gz UCRJDMIFRWXIBB-ROUUACIJSA-N 1 0 387.572 4.363 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(OCC(F)(F)F)c2C)C1 ZINC000177546913 823487894 /nfs/dbraw/zinc/48/78/94/823487894.db2.gz UNJKBVAPCWZPBI-OAHLLOKOSA-N 1 0 387.446 4.132 20 0 GIADRO COc1ccccc1[C@H](C[NH2+][C@@H](C[C@@H]1CCCO1)c1ccc(F)cc1)N(C)C ZINC000573409898 823489883 /nfs/dbraw/zinc/48/98/83/823489883.db2.gz TTYICLNNBZVDHC-BVSLBCMMSA-N 1 0 386.511 4.337 20 0 GIADRO Cc1nc([C@H]2CCC[N@@H+]2CCC(=O)Nc2cccc(Br)c2)cs1 ZINC000189754645 823488617 /nfs/dbraw/zinc/48/86/17/823488617.db2.gz GSDUIKLCPBBRFF-MRXNPFEDSA-N 1 0 394.338 4.380 20 0 GIADRO Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000059274474 823489020 /nfs/dbraw/zinc/48/90/20/823489020.db2.gz ZXOMRZDONPKFCV-LJQANCHMSA-N 1 0 395.547 4.276 20 0 GIADRO O=C(NCc1ccc(OCc2ccccc2)cc1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000410412058 823489968 /nfs/dbraw/zinc/48/99/68/823489968.db2.gz YLJPYNMEALJUIG-QFIPXVFZSA-N 1 0 393.531 4.035 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1cc(-c2ccccc2F)on1 ZINC000030033600 820572364 /nfs/dbraw/zinc/57/23/64/820572364.db2.gz QGWJOCHPGBIHGP-UHFFFAOYSA-N 1 0 393.462 4.397 20 0 GIADRO CCc1cccc(CC)c1NC(=O)CN1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000030153662 820580404 /nfs/dbraw/zinc/58/04/04/820580404.db2.gz XXIXYGGQBTUMMM-UHFFFAOYSA-N 1 0 393.575 4.266 20 0 GIADRO C[C@H]([NH2+]C[C@H](c1ccccc1)C(C)(C)CO)c1ccc(Br)cn1 ZINC000573418825 823491164 /nfs/dbraw/zinc/49/11/64/823491164.db2.gz RVPPFKGVHZESEO-WMLDXEAASA-N 1 0 377.326 4.297 20 0 GIADRO COc1ccc2c(C[NH2+][C@H](C)c3ccc(OC(C)C)c(OC)c3)cc(=O)oc2c1 ZINC000030454836 820618209 /nfs/dbraw/zinc/61/82/09/820618209.db2.gz HLSRALUAOGGQDF-OAHLLOKOSA-N 1 0 397.471 4.448 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cc(F)ccc2F)ccc1OC(C)C ZINC000030492716 820623204 /nfs/dbraw/zinc/62/32/04/820623204.db2.gz IKXACKHMULYONU-ZIAGYGMSSA-N 1 0 392.446 4.438 20 0 GIADRO COc1ccccc1NC(=O)C1CC[NH+](Cc2cnc3ccccc3c2)CC1 ZINC000410418510 823491709 /nfs/dbraw/zinc/49/17/09/823491709.db2.gz KQUKDOHOFGOWKQ-UHFFFAOYSA-N 1 0 375.472 4.094 20 0 GIADRO COc1cccc(-c2nn(C(C)(C)C)cc2CNC2CC[NH+](CC3CC3)CC2)c1 ZINC000177562849 823491753 /nfs/dbraw/zinc/49/17/53/823491753.db2.gz SMMANGCQPYGGDV-UHFFFAOYSA-N 1 0 396.579 4.278 20 0 GIADRO COc1cc([C@H](C)[NH2+]C[C@H](O)COc2ccc(Cl)cc2)ccc1OC(C)C ZINC000030533716 820634672 /nfs/dbraw/zinc/63/46/72/820634672.db2.gz QWUSTXJVOFIXCA-YJBOKZPZSA-N 1 0 393.911 4.226 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(OCCF)c1 ZINC000123296371 823492431 /nfs/dbraw/zinc/49/24/31/823492431.db2.gz QPTZPIULHCWDJB-LJQANCHMSA-N 1 0 385.483 4.021 20 0 GIADRO COc1ccc(C[NH2+]C[C@H](c2ccccc2)N(C)C)cc1OCc1cccnc1 ZINC000030545041 820637269 /nfs/dbraw/zinc/63/72/69/820637269.db2.gz OEIFOCXSADFOHF-JOCHJYFZSA-N 1 0 391.515 4.062 20 0 GIADRO Cc1noc(-c2ccccc2)c1NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000189778075 823492622 /nfs/dbraw/zinc/49/26/22/823492622.db2.gz REJRAGAXCBSMIA-UYAOXDASSA-N 1 0 376.460 4.217 20 0 GIADRO O=C(Cc1ccc(OC(F)F)cc1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000030552226 820639261 /nfs/dbraw/zinc/63/92/61/820639261.db2.gz JQAAWSATTLHKST-UHFFFAOYSA-N 1 0 388.458 4.133 20 0 GIADRO Cc1cc(C)n(-c2ccc(C(=O)NCc3ccccc3C[NH+]3CCCC3)cc2)n1 ZINC000030556028 820639676 /nfs/dbraw/zinc/63/96/76/820639676.db2.gz TUMYBQXJNUSPID-UHFFFAOYSA-N 1 0 388.515 4.015 20 0 GIADRO C[C@H]1C[N@H+](CCCCC2CCOCC2)CCN1CCCCC1CCOCC1 ZINC000410422103 823492744 /nfs/dbraw/zinc/49/27/44/823492744.db2.gz VHLZGSWRDMYLJR-NRFANRHFSA-N 1 0 380.617 4.186 20 0 GIADRO CC(C)C[C@H](C)C[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000410421857 823492785 /nfs/dbraw/zinc/49/27/85/823492785.db2.gz NMXQNDWEVRBJGT-AWEZNQCLSA-N 1 0 382.346 4.177 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1csc(Br)c1 ZINC000030568319 820642087 /nfs/dbraw/zinc/64/20/87/820642087.db2.gz DBNBHFVWVNMZCR-UHFFFAOYSA-N 1 0 393.350 4.427 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)Nc2nc3ccc(NC(C)=O)cc3s2)cc1 ZINC000030566751 820642119 /nfs/dbraw/zinc/64/21/19/820642119.db2.gz ZZCHEKRUPVSHPO-UHFFFAOYSA-N 1 0 396.516 4.349 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1ccccc1OC(F)(F)F)c1ccc(F)cc1 ZINC000059356676 823492987 /nfs/dbraw/zinc/49/29/87/823492987.db2.gz DFKCMSBXRCAYJO-OAHLLOKOSA-N 1 0 385.361 4.149 20 0 GIADRO Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000573464988 823493048 /nfs/dbraw/zinc/49/30/48/823493048.db2.gz JWSPWNBMCLQDEW-KNQAVFIVSA-N 1 0 383.561 4.125 20 0 GIADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2cc(Cl)ccc2OC(F)F)CC1 ZINC000177577591 823495250 /nfs/dbraw/zinc/49/52/50/823495250.db2.gz ZRHWHIVSQDZZRI-UHFFFAOYSA-N 1 0 398.837 4.271 20 0 GIADRO C[NH+](C)C1(CNC(=O)COc2ccc(Oc3ccccn3)cc2)CCCCCC1 ZINC000030610153 820650332 /nfs/dbraw/zinc/65/03/32/820650332.db2.gz ZKHPUMFEYLVGFU-UHFFFAOYSA-N 1 0 397.519 4.024 20 0 GIADRO COc1ccc(C[NH2+]C[C@@H](c2ccsc2)N(C)C)cc1OCc1cccnc1 ZINC000030630667 820653434 /nfs/dbraw/zinc/65/34/34/820653434.db2.gz VSGUXVAXKKQSCX-FQEVSTJZSA-N 1 0 397.544 4.123 20 0 GIADRO CN(CC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1)c1ccccc1 ZINC000030633804 820654966 /nfs/dbraw/zinc/65/49/66/820654966.db2.gz FZJCCHLFLPOOIZ-UHFFFAOYSA-N 1 0 383.499 4.160 20 0 GIADRO Cc1ccc(COc2ccc(C[NH2+]Cc3ccc(-n4ccnc4)nc3)cc2)cc1 ZINC000030654954 820659381 /nfs/dbraw/zinc/65/93/81/820659381.db2.gz LGYBBQCXZPCKDH-UHFFFAOYSA-N 1 0 384.483 4.445 20 0 GIADRO CC(C)c1ccc(C[NH2+]Cc2ccccc2S(=O)(=O)N2CCCCC2)cc1 ZINC000030659884 820659853 /nfs/dbraw/zinc/65/98/53/820659853.db2.gz HQNNQEMDAAFKHB-UHFFFAOYSA-N 1 0 386.561 4.274 20 0 GIADRO COc1ccc(C(=O)Nc2cccc(C[NH2+]CCc3csc(C)n3)c2)cc1 ZINC000030662646 820660654 /nfs/dbraw/zinc/66/06/54/820660654.db2.gz RLCBWABPBQBBSE-UHFFFAOYSA-N 1 0 381.501 4.045 20 0 GIADRO Cc1nc(CC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)cs1 ZINC000030662677 820660785 /nfs/dbraw/zinc/66/07/85/820660785.db2.gz SNMQHXJEIGBEBJ-UHFFFAOYSA-N 1 0 375.501 4.032 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 ZINC000059411706 823495877 /nfs/dbraw/zinc/49/58/77/823495877.db2.gz XMVKTSHGWIMKQX-UYAOXDASSA-N 1 0 391.515 4.053 20 0 GIADRO CCC(CC)[C@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1)N(C)C ZINC000030667818 820662145 /nfs/dbraw/zinc/66/21/45/820662145.db2.gz ZBFFDYLUUITMQA-QHCPKHFHSA-N 1 0 391.563 4.390 20 0 GIADRO c1c(C[NH2+]CCOCc2ccccc2)c(-c2cccnc2)nn1-c1ccccc1 ZINC000177582084 823496026 /nfs/dbraw/zinc/49/60/26/823496026.db2.gz JWWSIUOZXWFENQ-UHFFFAOYSA-N 1 0 384.483 4.241 20 0 GIADRO CO[C@@H]1CCC[C@@H](C(=O)N(c2cccc(SC)c2)C2CC[NH+](C)CC2)C1 ZINC000410465164 823497459 /nfs/dbraw/zinc/49/74/59/823497459.db2.gz FKMQGBMHENEWBH-VQIMIIECSA-N 1 0 376.566 4.041 20 0 GIADRO Cc1ccc(OC[C@H](O)C[NH+]2CCC(c3nc4cccc(C)c4o3)CC2)cc1 ZINC000189813724 823500390 /nfs/dbraw/zinc/50/03/90/823500390.db2.gz AKDCJQBXRLDFIM-LJQANCHMSA-N 1 0 380.488 4.064 20 0 GIADRO CSc1cccc(N(C(=O)c2nc3cccnc3s2)C2CC[NH+](C)CC2)c1 ZINC000410468621 823497668 /nfs/dbraw/zinc/49/76/68/823497668.db2.gz MMQUWJJPRDKOPY-UHFFFAOYSA-N 1 0 398.557 4.154 20 0 GIADRO CSc1cccc(N(C(=O)[C@@H]2Cc3cccc(C)c3O2)C2CC[NH+](C)CC2)c1 ZINC000410467746 823497689 /nfs/dbraw/zinc/49/76/89/823497689.db2.gz LISHCSJRKOWFHC-NRFANRHFSA-N 1 0 396.556 4.148 20 0 GIADRO Cc1onc(C2CC2)c1C(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000410475566 823498323 /nfs/dbraw/zinc/49/83/23/823498323.db2.gz IKVNDXLNBQBCOO-UHFFFAOYSA-N 1 0 395.425 4.083 20 0 GIADRO O=C(c1ccccc1OCc1ccccc1Cl)N1CC[NH+](CC2CC2)CC1 ZINC000059779781 823498594 /nfs/dbraw/zinc/49/85/94/823498594.db2.gz AFBGIBSVCRGTEI-UHFFFAOYSA-N 1 0 384.907 4.087 20 0 GIADRO c1nn(Cc2ccccc2)cc1C[NH2+]Cc1ccccc1OCc1ccncc1 ZINC000030907629 820707138 /nfs/dbraw/zinc/70/71/38/820707138.db2.gz UAXOJTFZQBPRDN-UHFFFAOYSA-N 1 0 384.483 4.195 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2ccc(OCc3ccccn3)cc2)C1 ZINC000460733353 823499037 /nfs/dbraw/zinc/49/90/37/823499037.db2.gz ZEBXMLAXHNRHRR-BGYRXZFFSA-N 1 0 395.547 4.149 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)Nc2cnn([C@H](C)C3CC3)c2)[NH+]2CCCC2)cc1 ZINC000189813378 823500047 /nfs/dbraw/zinc/50/00/47/823500047.db2.gz KYZGIIWQWNMLGF-DYESRHJHSA-N 1 0 381.524 4.121 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCC1)N[C@H]1CCSc2c(F)cccc21 ZINC000031102796 820742867 /nfs/dbraw/zinc/74/28/67/820742867.db2.gz JYNGWNAELFWGHV-FQEVSTJZSA-N 1 0 399.535 4.458 20 0 GIADRO Cc1cc(C)c(Br)c(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000460756405 823505094 /nfs/dbraw/zinc/50/50/94/823505094.db2.gz JPXFVQAIZTWPFO-KRWDZBQOSA-N 1 0 375.310 4.099 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)CSc2cccc(C(F)(F)F)c2)c1 ZINC000123405087 823506358 /nfs/dbraw/zinc/50/63/58/823506358.db2.gz LHWCLGAYZLZJPL-UHFFFAOYSA-N 1 0 382.451 4.176 20 0 GIADRO CC[C@H](NC(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1)c1c(C)noc1C ZINC000123354737 823500872 /nfs/dbraw/zinc/50/08/72/823500872.db2.gz WQQPMOWGINSEPU-IBGZPJMESA-N 1 0 384.524 4.049 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3c[nH]c(=O)c4ccccc34)cc2)C1 ZINC000189816284 823501001 /nfs/dbraw/zinc/50/10/01/823501001.db2.gz BNOBLZSPOPKOEP-INIZCTEOSA-N 1 0 375.472 4.012 20 0 GIADRO CCOc1ccc(CN(C)C(=O)NC[C@H](c2ccsc2)[NH+](CC)CC)cc1 ZINC000031193862 820765411 /nfs/dbraw/zinc/76/54/11/820765411.db2.gz RNKLAYGTJKNEPV-HXUWFJFHSA-N 1 0 389.565 4.371 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)NCc1ccc(OC(F)F)cc1)c1ccsc1 ZINC000031194383 820765949 /nfs/dbraw/zinc/76/59/49/820765949.db2.gz CGOGFSNDTUUCSX-QGZVFWFLSA-N 1 0 397.491 4.232 20 0 GIADRO CCCCOc1c(Cl)cc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1OCC ZINC000123361161 823501249 /nfs/dbraw/zinc/50/12/49/823501249.db2.gz GSCTXCMUCGDHHD-NVXWUHKLSA-N 1 0 396.959 4.472 20 0 GIADRO Cc1ccc(-c2nc(C)c(C(=O)NC[C@H](c3cccs3)[NH+](C)C)s2)o1 ZINC000031211722 820770814 /nfs/dbraw/zinc/77/08/14/820770814.db2.gz RCQSATONGOZNCK-CYBMUJFWSA-N 1 0 375.519 4.114 20 0 GIADRO COc1ccccc1-c1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1CC(C)C ZINC000460742739 823502033 /nfs/dbraw/zinc/50/20/33/823502033.db2.gz QRHKHNRFSXPDMW-UHFFFAOYSA-N 1 0 397.567 4.064 20 0 GIADRO COc1cc([C@H](C)[NH2+]C[C@@H](O)CC(F)(F)F)ccc1OCc1ccccc1 ZINC000189829534 823503168 /nfs/dbraw/zinc/50/31/68/823503168.db2.gz WHJVQJBJKRDTKC-YOEHRIQHSA-N 1 0 383.410 4.238 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)[C@H](C)c1cccc(Cl)c1 ZINC000460748952 823503566 /nfs/dbraw/zinc/50/35/66/823503566.db2.gz ZBQIQAPAUQAFJY-QGZVFWFLSA-N 1 0 388.939 4.481 20 0 GIADRO COc1ccc(-c2cc(NC(=O)C[N@H+](C)C(C)C)ccc2OC(F)F)cc1 ZINC000060063645 823506582 /nfs/dbraw/zinc/50/65/82/823506582.db2.gz XPNZLSMPJQDBQN-UHFFFAOYSA-N 1 0 378.419 4.242 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CCC(=O)c1ccc(Cl)cc1 ZINC000031484041 820816701 /nfs/dbraw/zinc/81/67/01/820816701.db2.gz JZKDZGSIZBYACU-UHFFFAOYSA-N 1 0 399.922 4.002 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1nc(Cl)ccc1Cl ZINC000031524478 820820655 /nfs/dbraw/zinc/82/06/55/820820655.db2.gz ZEJBKUFUIIBTRW-UHFFFAOYSA-N 1 0 378.303 4.304 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1 ZINC000031526097 820821316 /nfs/dbraw/zinc/82/13/16/820821316.db2.gz WAVPGOOQFPJILY-HTAPYJJXSA-N 1 0 393.531 4.053 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)CCc2nc(-c3ccsc3)no2)c1 ZINC000031531433 820821677 /nfs/dbraw/zinc/82/16/77/820821677.db2.gz BAOQOPSUBIGJSA-UHFFFAOYSA-N 1 0 384.505 4.211 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)[C@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC000123424321 823507778 /nfs/dbraw/zinc/50/77/78/823507778.db2.gz OESRSYCMZYVYMD-MOPGFXCFSA-N 1 0 376.422 4.187 20 0 GIADRO C[C@H](NC(=O)N1CCc2cc(Cl)ccc2C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000189867047 823508059 /nfs/dbraw/zinc/50/80/59/823508059.db2.gz YEXIPXJGOQYNLB-DOTOQJQBSA-N 1 0 375.944 4.061 20 0 GIADRO O=C(CCc1nnc(-c2ccsc2)o1)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000031619937 820834878 /nfs/dbraw/zinc/83/48/78/820834878.db2.gz JTYSAVIJYBBQDM-UHFFFAOYSA-N 1 0 396.516 4.355 20 0 GIADRO O=C(COc1ccc(F)cc1Cl)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000031620829 820835354 /nfs/dbraw/zinc/83/53/54/820835354.db2.gz WLHUXHILOKAVCP-UHFFFAOYSA-N 1 0 376.859 4.483 20 0 GIADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2OCc2ccc(F)cc2)C1 ZINC000060207391 823511965 /nfs/dbraw/zinc/51/19/65/823511965.db2.gz CENBVRBPZWCBSF-LJQANCHMSA-N 1 0 384.495 4.255 20 0 GIADRO CC[C@@H](C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1)c1ccc(F)cc1 ZINC000460775546 823508799 /nfs/dbraw/zinc/50/87/99/823508799.db2.gz SMZNESKFGZDUIE-YADHBBJMSA-N 1 0 384.495 4.281 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)c2cn(-c3ccccc3)nc2-c2cccs2)CC[N@@H+]1C ZINC000123437055 823508911 /nfs/dbraw/zinc/50/89/11/823508911.db2.gz XARCFKSANHGSTQ-WMZOPIPTSA-N 1 0 394.544 4.156 20 0 GIADRO C[C@@H](CNC(=O)c1cc2ccccc2cc1NC(=O)C1CC1)[NH+]1CCC(C)CC1 ZINC000060156486 823510189 /nfs/dbraw/zinc/51/01/89/823510189.db2.gz ZZSUNVVYPHAEHE-KRWDZBQOSA-N 1 0 393.531 4.039 20 0 GIADRO CC[NH+](CC)[C@H](C)CNC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000031825294 820866085 /nfs/dbraw/zinc/86/60/85/820866085.db2.gz BWNZOTDIQPRUAU-CQSZACIVSA-N 1 0 395.425 4.353 20 0 GIADRO CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000031855031 820868025 /nfs/dbraw/zinc/86/80/25/820868025.db2.gz KYBNDHQNXAIMOQ-HEHNFIMWSA-N 1 0 389.499 4.269 20 0 GIADRO C[NH+]1CCC2(CCCN2C(=O)c2cc(Cl)c3cc(Cl)ccc3n2)CC1 ZINC000410718549 823510796 /nfs/dbraw/zinc/51/07/96/823510796.db2.gz LWWCTOJKTMXHJT-UHFFFAOYSA-N 1 0 378.303 4.242 20 0 GIADRO O=C(CCc1nc2ccccc2[nH]1)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000031900449 820872776 /nfs/dbraw/zinc/87/27/76/820872776.db2.gz PAZYAPCLWZJXNF-HXUWFJFHSA-N 1 0 396.922 4.102 20 0 GIADRO C[C@@H](C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)n1cnc2ccccc21 ZINC000031900318 820873015 /nfs/dbraw/zinc/87/30/15/820873015.db2.gz FXSRXSGJTQROLL-HRAATJIYSA-N 1 0 396.922 4.204 20 0 GIADRO CC[NH2+]Cc1cccc(NC(=O)Cc2csc(COc3ccc(C)cc3)n2)c1 ZINC000123461245 823511327 /nfs/dbraw/zinc/51/13/27/823511327.db2.gz UFPQYIWDONYVMJ-UHFFFAOYSA-N 1 0 395.528 4.321 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)COc1cc(C)ccc1Cl)c1ccsc1 ZINC000031988930 820886285 /nfs/dbraw/zinc/88/62/85/820886285.db2.gz JVGUMUNTTQYCJC-QGZVFWFLSA-N 1 0 380.941 4.288 20 0 GIADRO CCOC(=O)c1csc(CC[NH2+][C@@H](C)c2ccc(OC(F)(F)F)cc2)n1 ZINC000189913969 823513184 /nfs/dbraw/zinc/51/31/84/823513184.db2.gz KRJZZMNVXDLLAJ-NSHDSACASA-N 1 0 388.411 4.112 20 0 GIADRO CN(Cc1ccccc1Cl)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000060244841 823513444 /nfs/dbraw/zinc/51/34/44/823513444.db2.gz WSXKMSQWKLXUOF-INIZCTEOSA-N 1 0 391.968 4.455 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000177727909 823517751 /nfs/dbraw/zinc/51/77/51/823517751.db2.gz XIBRQDUFCIQMEG-MSOLQXFVSA-N 1 0 398.532 4.091 20 0 GIADRO CC[NH+](CC)CCn1ccc2cc(NC(=O)c3ccc4c(c3)OCCO4)ccc21 ZINC000060271045 823513830 /nfs/dbraw/zinc/51/38/30/823513830.db2.gz SCGAQBDVWWCWOV-UHFFFAOYSA-N 1 0 393.487 4.007 20 0 GIADRO COc1ccc2c(c1)CCC[C@H]2CC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000060275430 823513990 /nfs/dbraw/zinc/51/39/90/823513990.db2.gz GJJBECFGYCKYLH-UNMCSNQZSA-N 1 0 398.591 4.476 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1cc(Cl)c(Cl)[nH]1)c1cccc(OC)c1 ZINC000032318295 820913847 /nfs/dbraw/zinc/91/38/47/820913847.db2.gz HYCHTWIDSBZOIG-MRXNPFEDSA-N 1 0 384.307 4.143 20 0 GIADRO CC[NH+](CC)CCNC(=O)c1ccc(OCc2ccc(C(F)F)cc2)cc1 ZINC000460800579 823515951 /nfs/dbraw/zinc/51/59/51/823515951.db2.gz SPNSADNPWQACKP-UHFFFAOYSA-N 1 0 376.447 4.275 20 0 GIADRO COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H]2CCC[C@H]2CCO)cc1 ZINC000189962645 823518338 /nfs/dbraw/zinc/51/83/38/823518338.db2.gz IWJOYHZXXSYZKC-FDDCHVKYSA-N 1 0 391.515 4.189 20 0 GIADRO COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H]2CCC[C@@H]2CCO)cc1 ZINC000189962629 823518348 /nfs/dbraw/zinc/51/83/48/823518348.db2.gz IWJOYHZXXSYZKC-JPYJTQIMSA-N 1 0 391.515 4.189 20 0 GIADRO O=C(CCc1ncc(-c2ccccc2)o1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000032464034 820949955 /nfs/dbraw/zinc/94/99/55/820949955.db2.gz OWIPQQKHTIWECB-UHFFFAOYSA-N 1 0 389.499 4.186 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1csc(-c2cccs2)n1 ZINC000032463673 820950112 /nfs/dbraw/zinc/95/01/12/820950112.db2.gz ZWEVPQKZIUEICV-UHFFFAOYSA-N 1 0 383.542 4.397 20 0 GIADRO O=C(COc1ccc(Cl)c(Cl)c1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000032464836 820950873 /nfs/dbraw/zinc/95/08/73/820950873.db2.gz ORVSPRGXGGNZDW-UHFFFAOYSA-N 1 0 393.314 4.284 20 0 GIADRO FC(F)(F)c1ccc(OCC[NH2+]Cc2csc(-c3ccccn3)n2)cc1 ZINC000123521444 823516940 /nfs/dbraw/zinc/51/69/40/823516940.db2.gz WEEYKFKSIHRQGI-UHFFFAOYSA-N 1 0 379.407 4.393 20 0 GIADRO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000032483519 820956925 /nfs/dbraw/zinc/95/69/25/820956925.db2.gz NDZVCPIHFJFTHE-HOCLYGCPSA-N 1 0 395.330 4.050 20 0 GIADRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCc1nnc(-c2ccccc2)s1 ZINC000189954783 823517515 /nfs/dbraw/zinc/51/75/15/823517515.db2.gz PUNOQTXMSHFWDX-ROUUACIJSA-N 1 0 392.572 4.451 20 0 GIADRO CCCCO[C@H]1C[C@H](N(C)Cc2csc(N(C(C)=O)C3CC3)n2)C1(C)C ZINC000177735798 823518565 /nfs/dbraw/zinc/51/85/65/823518565.db2.gz JXJLADYGVVDTBN-ROUUACIJSA-N 1 0 379.570 4.074 20 0 GIADRO O=C(CCc1cc(F)ccc1F)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000060355318 823519038 /nfs/dbraw/zinc/51/90/38/823519038.db2.gz JSAVBHRWZRHNCH-UHFFFAOYSA-N 1 0 386.486 4.065 20 0 GIADRO C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)c1 ZINC000032680770 820990697 /nfs/dbraw/zinc/99/06/97/820990697.db2.gz ZUEAQMUAWNCBKJ-RXVVDRJESA-N 1 0 397.563 4.200 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1)c1ccc(-n2cccn2)cc1 ZINC000177748984 823520210 /nfs/dbraw/zinc/52/02/10/823520210.db2.gz WKMOOHHWZQFAHI-IRXDYDNUSA-N 1 0 376.460 4.241 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1csc(Cc2ccccc2)n1 ZINC000032715845 820997003 /nfs/dbraw/zinc/99/70/03/820997003.db2.gz GXIZBRLYWSTHQS-UHFFFAOYSA-N 1 0 391.540 4.260 20 0 GIADRO C[C@@H](CNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1)[N@@H+]1CCCC[C@H]1C ZINC000032733695 821000514 /nfs/dbraw/zinc/00/05/14/821000514.db2.gz UCKMPXNRFCBPJL-CVEARBPZSA-N 1 0 375.513 4.026 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@@H]2CCO[C@H]2c2ccccc2)cc1 ZINC000189978816 823520604 /nfs/dbraw/zinc/52/06/04/823520604.db2.gz NYIIZLJWVDFBSK-GOTSBHOMSA-N 1 0 395.547 4.105 20 0 GIADRO CCc1ccc([C@H](CNC(=O)c2cnn(-c3ccccc3C)c2C)[NH+](C)C)cc1 ZINC000032735118 821001400 /nfs/dbraw/zinc/00/14/00/821001400.db2.gz NWRCDAACIOVXJK-QHCPKHFHSA-N 1 0 390.531 4.084 20 0 GIADRO Cc1cc(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)cc(C)c1OCc1cccnc1 ZINC000032737663 821001949 /nfs/dbraw/zinc/00/19/49/821001949.db2.gz YGVRYOTUYJBIHH-PMACEKPBSA-N 1 0 395.547 4.270 20 0 GIADRO COc1cccc([C@@H](CNC(=O)[C@H](C)c2ccc(F)c(F)c2)[NH+]2CCCC2)c1 ZINC000460819732 823521523 /nfs/dbraw/zinc/52/15/23/823521523.db2.gz SOQNDWWMEZOVEX-QVKFZJNVSA-N 1 0 388.458 4.030 20 0 GIADRO Cc1cc(C)n(-c2ccccc2C[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)n1 ZINC000123565611 823521831 /nfs/dbraw/zinc/52/18/31/823521831.db2.gz UUBDXESWCMNYOJ-IBGZPJMESA-N 1 0 388.515 4.467 20 0 GIADRO COCc1c(Br)cccc1NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000123564965 823521844 /nfs/dbraw/zinc/52/18/44/823521844.db2.gz NOCCHJXOBHLEFV-UHFFFAOYSA-N 1 0 398.345 4.026 20 0 GIADRO Cc1ccc(C(=O)c2ccccc2C(=O)NCc2cccc(C[NH+](C)C)c2)cc1 ZINC000033089429 821031934 /nfs/dbraw/zinc/03/19/34/821031934.db2.gz XYUUZULMWZLQLS-UHFFFAOYSA-N 1 0 386.495 4.218 20 0 GIADRO Cc1nc(COc2cccc(C(=O)NCc3cccc(C[NH+](C)C)c3)c2)cs1 ZINC000033085093 821032010 /nfs/dbraw/zinc/03/20/10/821032010.db2.gz HVLPKSFZXHRGAA-UHFFFAOYSA-N 1 0 395.528 4.022 20 0 GIADRO C[C@@H](CNC(=O)c1ccccc1Nc1ccc(SC(F)F)cc1)[NH+](C)C ZINC000033093640 821032974 /nfs/dbraw/zinc/03/29/74/821032974.db2.gz MJMBDFGOMSYBQD-ZDUSSCGKSA-N 1 0 379.476 4.425 20 0 GIADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCOc1ccc2ccccc2c1 ZINC000177767463 823523038 /nfs/dbraw/zinc/52/30/38/823523038.db2.gz NSYIEXHKCZPMDZ-OAHLLOKOSA-N 1 0 383.879 4.274 20 0 GIADRO Cc1ccc(-c2nc(C(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3C)cs2)o1 ZINC000033156412 821039881 /nfs/dbraw/zinc/03/98/81/821039881.db2.gz FNQKRORHNKLIGD-UHFFFAOYSA-N 1 0 396.516 4.024 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)CCC(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000060394877 823523398 /nfs/dbraw/zinc/52/33/98/823523398.db2.gz MLQQBTHORKOFFE-UHFFFAOYSA-N 1 0 384.564 4.107 20 0 GIADRO C[C@H](CC(=O)Nc1cc(C[NH+](C)C)ccn1)c1ccc(Br)cc1 ZINC000123628113 823527397 /nfs/dbraw/zinc/52/73/97/823527397.db2.gz RSUKMIQXZXWZDB-CYBMUJFWSA-N 1 0 376.298 4.038 20 0 GIADRO CCc1nc2ccccc2c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)c1C ZINC000060438023 823527552 /nfs/dbraw/zinc/52/75/52/823527552.db2.gz GWMHAMARNGSGPN-UHFFFAOYSA-N 1 0 388.515 4.110 20 0 GIADRO C[NH+](C)Cc1ccccc1CNC(=O)CCCc1ncc(-c2ccccc2)o1 ZINC000033221804 821050522 /nfs/dbraw/zinc/05/05/22/821050522.db2.gz OXXFFUBYZPDRKE-UHFFFAOYSA-N 1 0 377.488 4.042 20 0 GIADRO Cn1ccc2cccc(NC(=O)NC3CC[NH+](CCc4ccccc4)CC3)c21 ZINC000190028627 823528225 /nfs/dbraw/zinc/52/82/25/823528225.db2.gz GZFKUYQBMXRFRL-UHFFFAOYSA-N 1 0 376.504 4.007 20 0 GIADRO COc1ccccc1CCC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000060441366 823528254 /nfs/dbraw/zinc/52/82/54/823528254.db2.gz VIFHXPKXUOQUEP-UHFFFAOYSA-N 1 0 380.532 4.176 20 0 GIADRO COc1ccc([C@@H](C)N(C)C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000123645469 823528921 /nfs/dbraw/zinc/52/89/21/823528921.db2.gz DEGMEDSPZFQDAF-QGZVFWFLSA-N 1 0 399.510 4.201 20 0 GIADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccccc1C(=O)c1ccc(C)cc1 ZINC000060452256 823529191 /nfs/dbraw/zinc/52/91/91/823529191.db2.gz PZGQAYLFRIVMGE-LJQANCHMSA-N 1 0 380.532 4.466 20 0 GIADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccccc1C(=O)c1ccc(F)cc1 ZINC000060452396 823529295 /nfs/dbraw/zinc/52/92/95/823529295.db2.gz GBWSAWIRMXETDA-QGZVFWFLSA-N 1 0 384.495 4.297 20 0 GIADRO O=C(Cc1ccc(Cl)cc1Cl)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000036659946 821074362 /nfs/dbraw/zinc/07/43/62/821074362.db2.gz XWLUBJVCOXBNQF-LJQANCHMSA-N 1 0 377.315 4.489 20 0 GIADRO O=C(CCCc1c[nH]c2ccccc12)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000036684483 821075405 /nfs/dbraw/zinc/07/54/05/821075405.db2.gz HPMKCWFDGBPKQX-OAQYLSRUSA-N 1 0 379.504 4.427 20 0 GIADRO CC(C)c1cc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)c2cnn(C(C)C)c2n1 ZINC000036685200 821075930 /nfs/dbraw/zinc/07/59/30/821075930.db2.gz SXHRHTYDVYSKJW-GOSISDBHSA-N 1 0 399.564 4.230 20 0 GIADRO COc1ccc2cc([C@H](C)C(=O)NC[C@H](c3cccs3)[NH+](C)C)ccc2c1 ZINC000036685196 821076083 /nfs/dbraw/zinc/07/60/83/821076083.db2.gz SFLZFDDYDKCCOC-MGPUTAFESA-N 1 0 382.529 4.433 20 0 GIADRO CC[N@@H+]1CCCN(c2nnc(CSc3ccc(C)cc3)n2CC(C)C)CC1 ZINC000460856086 823529523 /nfs/dbraw/zinc/52/95/23/823529523.db2.gz JUJBJRYEBXRGOG-UHFFFAOYSA-N 1 0 387.597 4.067 20 0 GIADRO C[NH+]1CCN(c2ccccc2NC(=O)c2ccc(Oc3ccccc3)cc2)CC1 ZINC000036773783 821082443 /nfs/dbraw/zinc/08/24/43/821082443.db2.gz KQGLJBQBYPQHJO-UHFFFAOYSA-N 1 0 387.483 4.483 20 0 GIADRO CC(C)(C)OC(=O)N1CCC(C)([NH2+]Cc2ccc3c(c2)COC(C)(C)O3)CC1 ZINC000190006199 823524732 /nfs/dbraw/zinc/52/47/32/823524732.db2.gz LXVVCVGWJRLCTO-UHFFFAOYSA-N 1 0 390.524 4.211 20 0 GIADRO Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000177779092 823524933 /nfs/dbraw/zinc/52/49/33/823524933.db2.gz VJNOMAVCVFTLQZ-GOSISDBHSA-N 1 0 385.515 4.491 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)C3=Cc4ccccc4OC3)cc2)C1 ZINC000060414196 823525015 /nfs/dbraw/zinc/52/50/15/823525015.db2.gz QYXKRMSSCCKLMC-GOSISDBHSA-N 1 0 376.500 4.011 20 0 GIADRO C[NH+](C)CCCC1CCN(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000123603432 823525113 /nfs/dbraw/zinc/52/51/13/823525113.db2.gz HUXHMAGQIOODKL-UHFFFAOYSA-N 1 0 396.457 4.309 20 0 GIADRO FC(F)(F)c1ccc2oc(C[N@H+](C[C@H]3CCCO3)[C@@H]3CCSC3)nc2c1 ZINC000123603872 823525223 /nfs/dbraw/zinc/52/52/23/823525223.db2.gz IKCFHEPPEBDUDW-ZIAGYGMSSA-N 1 0 386.439 4.333 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CCC(=O)c2ccc(F)cc2)cc1 ZINC000060425930 823525766 /nfs/dbraw/zinc/52/57/66/823525766.db2.gz UKWATAMZVOXFBX-GOSISDBHSA-N 1 0 396.506 4.479 20 0 GIADRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)c1cc(-c2ccccc2)on1 ZINC000038584561 821097801 /nfs/dbraw/zinc/09/78/01/821097801.db2.gz PGTHBGVPTDHCGY-UHFFFAOYSA-N 1 0 381.501 4.045 20 0 GIADRO C[NH+](C)Cc1cc(CNC(=O)c2ccc(Cl)cc2Br)ccc1F ZINC000124190221 823575924 /nfs/dbraw/zinc/57/59/24/823575924.db2.gz PFUVQMRNSPEFQG-UHFFFAOYSA-N 1 0 399.691 4.233 20 0 GIADRO CC[C@@H](Cc1ccccc1)N(CC)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000177783174 823525883 /nfs/dbraw/zinc/52/58/83/823525883.db2.gz FSDGKXFLLRNWLP-QHCPKHFHSA-N 1 0 394.563 4.099 20 0 GIADRO COc1ccc(C)cc1NC(=O)C[NH2+][C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000177815545 823529761 /nfs/dbraw/zinc/52/97/61/823529761.db2.gz ROHBHPIRQGHKKW-CYBMUJFWSA-N 1 0 382.382 4.192 20 0 GIADRO Cn1ccc2cccc(NC(=O)NC[C@@H]3CCC[N@H+](C)[C@@H]3c3cccs3)c21 ZINC000190050003 823530678 /nfs/dbraw/zinc/53/06/78/823530678.db2.gz KCEXORIWYSSCGF-JXFKEZNVSA-N 1 0 382.533 4.444 20 0 GIADRO O=C(NCc1coc(-c2cccs2)n1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000123679136 823531038 /nfs/dbraw/zinc/53/10/38/823531038.db2.gz SGOXNMULUSHPEX-MRXNPFEDSA-N 1 0 399.491 4.071 20 0 GIADRO Cc1ccc([C@H](C)[NH2+]Cc2ccccc2S(=O)(=O)N2CCCCC2)s1 ZINC000177822180 823531069 /nfs/dbraw/zinc/53/10/69/823531069.db2.gz CEGOORJOOUKZTR-INIZCTEOSA-N 1 0 378.563 4.082 20 0 GIADRO CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(OC(F)F)cc1 ZINC000060464078 823531082 /nfs/dbraw/zinc/53/10/82/823531082.db2.gz YJNSCKCXHOTLSX-UHFFFAOYSA-N 1 0 378.419 4.147 20 0 GIADRO FC(F)Oc1ccc(CN2CC[NH+](Cc3cccc4cccnc43)CC2)cc1 ZINC000060467005 823531441 /nfs/dbraw/zinc/53/14/41/823531441.db2.gz JOQKCSZWCCKUFS-UHFFFAOYSA-N 1 0 383.442 4.154 20 0 GIADRO Clc1nc(Sc2ccccc2)sc1C[NH2+]CCCOC[C@H]1CCOC1 ZINC000123682458 823531453 /nfs/dbraw/zinc/53/14/53/823531453.db2.gz LIDOMIMDRNRGOA-CQSZACIVSA-N 1 0 398.981 4.481 20 0 GIADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)Nc1cccc(C(F)(F)F)n1 ZINC000123682403 823531458 /nfs/dbraw/zinc/53/14/58/823531458.db2.gz CTRNRQXMMNTKSI-LBPRGKRZSA-N 1 0 384.427 4.121 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)c1ccc2ncccc2c1 ZINC000123686944 823531683 /nfs/dbraw/zinc/53/16/83/823531683.db2.gz OQKXMAHGTIRHMF-UHFFFAOYSA-N 1 0 377.513 4.078 20 0 GIADRO COc1ccccc1-c1nc(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000060469907 823531742 /nfs/dbraw/zinc/53/17/42/823531742.db2.gz VIEXHMYFPSHYNX-HNNXBMFYSA-N 1 0 387.549 4.059 20 0 GIADRO COc1ccc(Cc2nc(C)c([C@H](C)[NH2+][C@@H](CCO)C(C)C)s2)cc1OC ZINC000123689822 823531814 /nfs/dbraw/zinc/53/18/14/823531814.db2.gz LOHWTAVBGYIJLJ-YOEHRIQHSA-N 1 0 392.565 4.117 20 0 GIADRO CCOc1ccc(C(=O)N2CCC([NH2+][C@H](C)Cc3ccc(F)cc3)CC2)cc1 ZINC000177829272 823532472 /nfs/dbraw/zinc/53/24/72/823532472.db2.gz MRONASDSKDIUBS-QGZVFWFLSA-N 1 0 384.495 4.050 20 0 GIADRO CCCCOCC[NH2+]Cc1cc(Br)c(OC)c(Br)c1 ZINC000040506866 821161639 /nfs/dbraw/zinc/16/16/39/821161639.db2.gz QEMHLDDFFQLPAM-UHFFFAOYSA-N 1 0 395.135 4.127 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)CCC(=O)c2ccc(F)cc2)[NH+]2CCCC2)cc1 ZINC000040654389 821164156 /nfs/dbraw/zinc/16/41/56/821164156.db2.gz ITNHIFWXLGANNF-OAQYLSRUSA-N 1 0 382.479 4.050 20 0 GIADRO Cn1ccc2cccc(NC(=O)NC3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)c21 ZINC000190086363 823535827 /nfs/dbraw/zinc/53/58/27/823535827.db2.gz NJLRJLZRRJKNKZ-SEJPIABJSA-N 1 0 388.515 4.495 20 0 GIADRO COc1ccc(-c2nc3c(s2)[C@H]([NH2+]Cc2cccc(CO)c2)CCC3)cc1 ZINC000177841428 823534650 /nfs/dbraw/zinc/53/46/50/823534650.db2.gz CDIOAPUGLIWCCD-LJQANCHMSA-N 1 0 380.513 4.478 20 0 GIADRO CC(C)C[NH+]1CCC(NC(=O)C2(c3cccc(C(F)(F)F)c3)CCC2)CC1 ZINC000460878192 823534744 /nfs/dbraw/zinc/53/47/44/823534744.db2.gz SYRRGOJKPBPCAX-UHFFFAOYSA-N 1 0 382.470 4.364 20 0 GIADRO CCC[NH+]1CCN(c2ccc(NC(=O)c3sccc3C)c(OCC)c2)CC1 ZINC000190080124 823535222 /nfs/dbraw/zinc/53/52/22/823535222.db2.gz GHEOCIJLSTYCQC-UHFFFAOYSA-N 1 0 387.549 4.240 20 0 GIADRO Cc1c(Cl)cccc1NC(=O)C[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000177851882 823536405 /nfs/dbraw/zinc/53/64/05/823536405.db2.gz ARZXHIWTGDWPBB-HNNXBMFYSA-N 1 0 385.895 4.065 20 0 GIADRO CCN(C(=O)N[C@@H](C[N@H+](C)Cc1ccccc1)C(C)C)[C@@H]1CCOC(C)(C)C1 ZINC000460889573 823536614 /nfs/dbraw/zinc/53/66/14/823536614.db2.gz NORAKBPIIDOAFP-RTWAWAEBSA-N 1 0 389.584 4.132 20 0 GIADRO Cc1n[nH]cc1CCC[NH2+][C@H](C)c1ccc(OC(F)F)cc1OC(F)F ZINC000177854356 823536751 /nfs/dbraw/zinc/53/67/51/823536751.db2.gz BWEXFFKJNNQVGH-LLVKDONJSA-N 1 0 375.366 4.204 20 0 GIADRO CC[NH+]1CCC(N[C@H](C)c2ccc(Br)cc2Br)CC1 ZINC000041661400 821215976 /nfs/dbraw/zinc/21/59/76/821215976.db2.gz UKQSPWXPXQYWTK-LLVKDONJSA-N 1 0 390.163 4.347 20 0 GIADRO CC(C)=CCSc1ccccc1C(=O)NCCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000123748693 823537010 /nfs/dbraw/zinc/53/70/10/823537010.db2.gz KVWBDKVTPKXKNL-OALUTQOASA-N 1 0 390.593 4.364 20 0 GIADRO CC[NH+](CC)[C@H](C(=O)Nc1cc(F)c(OC)c(F)c1OC)c1ccccc1 ZINC000411043662 823537079 /nfs/dbraw/zinc/53/70/79/823537079.db2.gz HCWQCRCNEHENMP-KRWDZBQOSA-N 1 0 378.419 4.004 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ncc(Cc3cccc(F)c3)s2)[C@H](C)C1 ZINC000177858574 823537356 /nfs/dbraw/zinc/53/73/56/823537356.db2.gz HXBLTKAEKGCEQM-RDTXWAMCSA-N 1 0 390.528 4.067 20 0 GIADRO COc1ccccc1OCCC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000060548077 823541025 /nfs/dbraw/zinc/54/10/25/823541025.db2.gz VFTACRYZJPLZRA-GOSISDBHSA-N 1 0 382.504 4.335 20 0 GIADRO Cc1oc(-c2cccs2)nc1C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000060549391 823541047 /nfs/dbraw/zinc/54/10/47/823541047.db2.gz HJXMOWWAJZBVRS-UHFFFAOYSA-N 1 0 383.517 4.482 20 0 GIADRO CC(C)(C)[N@@H+]1CCCN(C(=O)NCc2ccccc2OCc2ccccc2)CC1 ZINC000060548343 823541085 /nfs/dbraw/zinc/54/10/85/823541085.db2.gz RIGXXTXVRWONFQ-UHFFFAOYSA-N 1 0 395.547 4.281 20 0 GIADRO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H](C)Cn2cccn2)cc1 ZINC000060526812 823538595 /nfs/dbraw/zinc/53/85/95/823538595.db2.gz YFQBGQDUSOXFJC-FQEVSTJZSA-N 1 0 385.515 4.470 20 0 GIADRO COc1cc(C[NH2+]C[C@@H](OC)c2ccccc2)ccc1OCc1ccncc1 ZINC000060528308 823538704 /nfs/dbraw/zinc/53/87/04/823538704.db2.gz BNGIRLZQRGFZBU-HSZRJFAPSA-N 1 0 378.472 4.147 20 0 GIADRO CCOCCC1(CNC(=O)NCc2ccccc2C[NH+]2CCCC2)CCCC1 ZINC000177867317 823538740 /nfs/dbraw/zinc/53/87/40/823538740.db2.gz XMPIHBNAUKKDSO-UHFFFAOYSA-N 1 0 387.568 4.069 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)C1(c2ccc(F)cc2)CCC1 ZINC000060532362 823539049 /nfs/dbraw/zinc/53/90/49/823539049.db2.gz ZGDAMMOSLPTJML-UHFFFAOYSA-N 1 0 398.522 4.284 20 0 GIADRO CC[C@H]([NH2+]CCC(=O)Nc1ccc(Br)cc1)c1c(C)noc1C ZINC000411516115 823583447 /nfs/dbraw/zinc/58/34/47/823583447.db2.gz JENWURAFDDSJPM-HNNXBMFYSA-N 1 0 380.286 4.123 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H](CC(C)C)c2cc(Cl)ccc2OC)C1 ZINC000177880519 823540340 /nfs/dbraw/zinc/54/03/40/823540340.db2.gz HBWQSZYBHAPPAX-APWZRJJASA-N 1 0 395.975 4.419 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H](C)Oc2ccccc2Cl)CC1 ZINC000042127403 821270751 /nfs/dbraw/zinc/27/07/51/821270751.db2.gz RYUDTVAHXWHDMG-QGZVFWFLSA-N 1 0 386.923 4.197 20 0 GIADRO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000042132488 821271741 /nfs/dbraw/zinc/27/17/41/821271741.db2.gz RDJDMGRLLXWKFP-AEFFLSMTSA-N 1 0 395.478 4.366 20 0 GIADRO C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000042132467 821272081 /nfs/dbraw/zinc/27/20/81/821272081.db2.gz LXHRLKAGQJHERQ-WBVHZDCISA-N 1 0 397.906 4.366 20 0 GIADRO Cc1cc(F)ccc1C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123785932 823540694 /nfs/dbraw/zinc/54/06/94/823540694.db2.gz KKGPOKVFUVETKZ-AUUYWEPGSA-N 1 0 378.850 4.349 20 0 GIADRO C[NH+](C)C(C)(C)CNC(=O)c1ccccc1CSc1nc2ccccc2o1 ZINC000042158884 821276875 /nfs/dbraw/zinc/27/68/75/821276875.db2.gz HVHCDXVOVOTSME-UHFFFAOYSA-N 1 0 383.517 4.190 20 0 GIADRO Cc1ccc(CNC(=O)[C@@H](C)[NH2+]Cc2cccc(COCc3ccco3)c2)cc1 ZINC000042183538 821279983 /nfs/dbraw/zinc/27/99/83/821279983.db2.gz YUVACHXTDJBINO-LJQANCHMSA-N 1 0 392.499 4.099 20 0 GIADRO CC(C)C[NH+]1CCC(NCc2cn(-c3ccccc3)nc2-c2cccnc2)CC1 ZINC000042207477 821284493 /nfs/dbraw/zinc/28/44/93/821284493.db2.gz WBOODOIOZDMUHU-UHFFFAOYSA-N 1 0 389.547 4.144 20 0 GIADRO CCOc1cc(C[NH2+]Cc2cc3c(cc2OC)C[C@@H](C)O3)ccc1OC(F)F ZINC000042208795 821284935 /nfs/dbraw/zinc/28/49/35/821284935.db2.gz UBAIBCUAPHXVCP-CYBMUJFWSA-N 1 0 393.430 4.309 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)c1nc2ccccc2[nH]1)c1ccsc1 ZINC000042346037 821302534 /nfs/dbraw/zinc/30/25/34/821302534.db2.gz JSYYCDVRNWIOPO-KBXCAEBGSA-N 1 0 385.537 4.068 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)N(C)Cc1ccc(F)c(F)c1)c1ccsc1 ZINC000042346495 821302720 /nfs/dbraw/zinc/30/27/20/821302720.db2.gz OEIYOOGOPWJLIB-SFHVURJKSA-N 1 0 381.492 4.251 20 0 GIADRO CC/C=C(\C)C(=O)NCCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000042496075 821309108 /nfs/dbraw/zinc/30/91/08/821309108.db2.gz HSRAAYUNHOBSIZ-REZTVBANSA-N 1 0 397.485 4.080 20 0 GIADRO CC[NH+]1CCN(Cc2ccc(NC(=O)CCSc3ccc(C)cc3)cc2)CC1 ZINC000060551930 823541517 /nfs/dbraw/zinc/54/15/17/823541517.db2.gz DNZBZSXGWGHAPA-UHFFFAOYSA-N 1 0 397.588 4.253 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cccc(C(F)(F)F)c2)c1 ZINC000042636619 821317664 /nfs/dbraw/zinc/31/76/64/821317664.db2.gz LHXFAAGTTHJARB-CHWSQXEVSA-N 1 0 393.409 4.342 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CCCCC[C@@H]1c1ccncc1 ZINC000042929653 821346081 /nfs/dbraw/zinc/34/60/81/821346081.db2.gz FTMRHBCAZDVNMK-HSZRJFAPSA-N 1 0 392.547 4.373 20 0 GIADRO CCCCCCOc1ccc(C(=O)N(C)C2CC[NH+](CC)CC2)cc1OC ZINC000043065872 821358131 /nfs/dbraw/zinc/35/81/31/821358131.db2.gz FUAYEPCUFRFNHH-UHFFFAOYSA-N 1 0 376.541 4.211 20 0 GIADRO Cc1nc(-c2c[nH]c(C(=O)NCc3ccccc3C[N@@H+](C)C(C)C)c2)cs1 ZINC000043086564 821359279 /nfs/dbraw/zinc/35/92/79/821359279.db2.gz QOQCBOBKZDFQHS-UHFFFAOYSA-N 1 0 382.533 4.217 20 0 GIADRO COc1ccc([C@H](CNC(=O)N2CCC[C@H]2c2ccsc2)[NH+]2CCCC2)cc1 ZINC000043111429 821362655 /nfs/dbraw/zinc/36/26/55/821362655.db2.gz IKCRMXKSYDAJNI-SFTDATJTSA-N 1 0 399.560 4.440 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N(Cc1ccco1)Cc1ccco1 ZINC000043137273 821366285 /nfs/dbraw/zinc/36/62/85/821366285.db2.gz LFPVKCNBXKTQSP-HXUWFJFHSA-N 1 0 397.475 4.405 20 0 GIADRO C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)C2CC2)o1 ZINC000043143852 821367392 /nfs/dbraw/zinc/36/73/92/821367392.db2.gz SZBMLQBKJUODNJ-JLSDUUJJSA-N 1 0 387.549 4.441 20 0 GIADRO Cc1ccc(Br)cc1NC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000043143577 821367568 /nfs/dbraw/zinc/36/75/68/821367568.db2.gz NHTYLOQMRZVBAG-CQSZACIVSA-N 1 0 382.327 4.243 20 0 GIADRO CCN(C(=O)NC[C@@H](c1cccs1)[NH+](C)C)[C@H](C)c1cccc(OC)c1 ZINC000043144191 821367603 /nfs/dbraw/zinc/36/76/03/821367603.db2.gz CVEHKRAKFJVWHY-QAPCUYQASA-N 1 0 375.538 4.152 20 0 GIADRO CC(C)Oc1ccc([C@@H](C)NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000043167133 821371930 /nfs/dbraw/zinc/37/19/30/821371930.db2.gz VCYDDWDRMFHGRI-XLIONFOSSA-N 1 0 385.508 4.264 20 0 GIADRO CCOc1ccc([C@@H]2CCCN2C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000043167485 821372335 /nfs/dbraw/zinc/37/23/35/821372335.db2.gz ALWMWXIDTIHLFB-LEWJYISDSA-N 1 0 397.519 4.362 20 0 GIADRO CC(C)[NH+]1CCC(NC(=O)N[C@@H](COc2ccccc2F)c2ccccc2)CC1 ZINC000043168309 821372742 /nfs/dbraw/zinc/37/27/42/821372742.db2.gz AWHQBMQVELQUKP-NRFANRHFSA-N 1 0 399.510 4.118 20 0 GIADRO COc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccc(Cl)cc3C)CC2)cc1 ZINC000043173027 821373653 /nfs/dbraw/zinc/37/36/53/821373653.db2.gz GOBZAAVAJUOFML-UHFFFAOYSA-N 1 0 387.911 4.397 20 0 GIADRO CCCc1csc(NC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000180628547 821374372 /nfs/dbraw/zinc/37/43/72/821374372.db2.gz OQGNTCXINMMVSO-UHFFFAOYSA-N 1 0 387.553 4.261 20 0 GIADRO CCC(CC)[C@H]1C[C@H](NC(=O)NCc2ccccc2C[N@H+](C)C(C)C)CCO1 ZINC000180631086 821375730 /nfs/dbraw/zinc/37/57/30/821375730.db2.gz SMOVABGXQXXTGO-FGZHOGPDSA-N 1 0 389.584 4.310 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)Nc1cccc(Cl)c1Cl ZINC000180636106 821377299 /nfs/dbraw/zinc/37/72/99/821377299.db2.gz CDZPLJLSWUCEOI-UHFFFAOYSA-N 1 0 379.291 4.427 20 0 GIADRO COc1cccc([C@@H]2CCCN2C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000043231127 821377864 /nfs/dbraw/zinc/37/78/64/821377864.db2.gz HVCZRTOAAKJQLI-VQTJNVASSA-N 1 0 399.560 4.440 20 0 GIADRO CCc1ccc2c(C[NH2+][C@H](CC)c3ccc4c(c3)OCCO4)cc(=O)oc2c1 ZINC000180640668 821378773 /nfs/dbraw/zinc/37/87/73/821378773.db2.gz IXHRVBKMELXMIS-LJQANCHMSA-N 1 0 379.456 4.368 20 0 GIADRO Cc1cccc([C@@H](C)[NH2+]C2CC(C(=O)OC(C)C)(C(=O)OC(C)C)C2)c1C ZINC000180642754 821379856 /nfs/dbraw/zinc/37/98/56/821379856.db2.gz CNNRLEXGNLTJMF-QGZVFWFLSA-N 1 0 375.509 4.006 20 0 GIADRO Cn1ccnc1[C@@H](O)[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc(F)cc3)s2)C1 ZINC000180647639 821381646 /nfs/dbraw/zinc/38/16/46/821381646.db2.gz QEOFUERTAUDDJF-UZLBHIALSA-N 1 0 385.508 4.233 20 0 GIADRO COc1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H]([C@H](O)c3nccn3C)C2)cc1 ZINC000180652384 821383222 /nfs/dbraw/zinc/38/32/22/821383222.db2.gz XLGGTNSVHCYFEO-OFNKIYASSA-N 1 0 391.515 4.041 20 0 GIADRO CC1CC[NH+](Cc2ccc(NC(=O)CCCNC(=O)c3ccccc3)cc2)CC1 ZINC000043268618 821383924 /nfs/dbraw/zinc/38/39/24/821383924.db2.gz KWWAEBOQVQPVLE-UHFFFAOYSA-N 1 0 393.531 4.067 20 0 GIADRO Cn1ccnc1[C@@H](O)[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC000180655978 821384878 /nfs/dbraw/zinc/38/48/78/821384878.db2.gz RQIMCTUJBIYDIE-UZLBHIALSA-N 1 0 385.895 4.279 20 0 GIADRO CC[NH+](CC)CCOc1ccc(NC(=O)c2cn(C)nc2-c2ccccc2)cc1 ZINC000180660756 821386338 /nfs/dbraw/zinc/38/63/38/821386338.db2.gz CVBFPBFEOZNQON-UHFFFAOYSA-N 1 0 392.503 4.060 20 0 GIADRO CC[NH+]1CCC(NC(=O)N[C@H](c2cc3ccccc3o2)c2ccccc2)CC1 ZINC000043291370 821387522 /nfs/dbraw/zinc/38/75/22/821387522.db2.gz ZGMQEWRPRLHCQM-QFIPXVFZSA-N 1 0 377.488 4.306 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(N(C)C)cc1 ZINC000043302894 821388201 /nfs/dbraw/zinc/38/82/01/821388201.db2.gz WGEZIYGEMLJIHL-ZIAGYGMSSA-N 1 0 379.426 4.449 20 0 GIADRO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)N1CCC[C@@H]1c1ccncc1 ZINC000043307145 821389822 /nfs/dbraw/zinc/38/98/22/821389822.db2.gz IXFSLZKGWIUNOI-NHCUHLMSSA-N 1 0 398.938 4.419 20 0 GIADRO CC[C@H](CSC)[N@H+](C)CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000180677679 821392236 /nfs/dbraw/zinc/39/22/36/821392236.db2.gz UARWBHHAKLVKHM-MRXNPFEDSA-N 1 0 391.562 4.012 20 0 GIADRO C[C@H]([NH2+]CCOc1ccc(F)c(F)c1)c1ccc(OCc2nccn2C)cc1 ZINC000180680740 821393419 /nfs/dbraw/zinc/39/34/19/821393419.db2.gz HLEWVTBTWYKOLY-HNNXBMFYSA-N 1 0 387.430 4.007 20 0 GIADRO COCc1cc([C@@H](C)[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)ccc1OC ZINC000180691740 821397570 /nfs/dbraw/zinc/39/75/70/821397570.db2.gz GGIQEKPQNLZYCH-ACJLOTCBSA-N 1 0 383.410 4.245 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1)c1cccc(N2CCOC2=O)c1 ZINC000180692793 821398249 /nfs/dbraw/zinc/39/82/49/821398249.db2.gz YFCGVDQDQREFSA-SCLBCKFNSA-N 1 0 394.393 4.046 20 0 GIADRO Oc1ccc(F)cc1C[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000180693475 821398259 /nfs/dbraw/zinc/39/82/59/821398259.db2.gz BCAVGNDCGBKMJL-UHFFFAOYSA-N 1 0 376.172 4.185 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1)c1cccc(N2CCOC2=O)c1 ZINC000180692757 821398425 /nfs/dbraw/zinc/39/84/25/821398425.db2.gz YFCGVDQDQREFSA-UGSOOPFHSA-N 1 0 394.393 4.046 20 0 GIADRO COc1cc2c(cc1OC)CN(C(=O)CCC[NH2+][C@H](C)c1ccc(C)cc1)CC2 ZINC000180696062 821399679 /nfs/dbraw/zinc/39/96/79/821399679.db2.gz DIDUGTVJSMQQRL-GOSISDBHSA-N 1 0 396.531 4.028 20 0 GIADRO COc1cc(OC)cc(N2CC[C@@H]([NH2+][C@@H](c3ccccc3)c3ccccn3)C2)c1 ZINC000180704955 821406516 /nfs/dbraw/zinc/40/65/16/821406516.db2.gz SPVXGBJEHWMZQD-DVECYGJZSA-N 1 0 389.499 4.057 20 0 GIADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)N[C@@H](c3cccc(C(F)(F)F)c3)C3CC3)CC[C@@H]21 ZINC000180708918 821409396 /nfs/dbraw/zinc/40/93/96/821409396.db2.gz BANDRIZGBKKGDZ-NZSAHSFTSA-N 1 0 395.469 4.282 20 0 GIADRO CCOc1ccc([C@@H](C)NC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)cc1 ZINC000043490669 821416054 /nfs/dbraw/zinc/41/60/54/821416054.db2.gz RCGMQQIZPOIHNB-GOSISDBHSA-N 1 0 396.535 4.028 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CCCNC(=O)c1ccc(F)cc1 ZINC000180722721 821417680 /nfs/dbraw/zinc/41/76/80/821417680.db2.gz NGOPMZGUMZWIHR-CQSZACIVSA-N 1 0 398.507 4.123 20 0 GIADRO C[C@H]([NH2+][C@H]1CCN(c2ccccc2Cl)C1=O)c1cnn(Cc2ccccc2)c1 ZINC000180724431 821419084 /nfs/dbraw/zinc/41/90/84/821419084.db2.gz KACLSAMKBMXIFG-JXFKEZNVSA-N 1 0 394.906 4.041 20 0 GIADRO C[C@H](NCC1([NH+]2CCCCC2)CCOCC1)c1ccccc1Br ZINC000180739318 821427086 /nfs/dbraw/zinc/42/70/86/821427086.db2.gz IGHJQGMSIXOTNN-INIZCTEOSA-N 1 0 381.358 4.135 20 0 GIADRO CC[N@@H+]1CCC[C@H]1CNC(=S)Nc1ccc(Oc2ccccc2OC)cc1 ZINC000043565349 821427620 /nfs/dbraw/zinc/42/76/20/821427620.db2.gz BVXGTUOFTXLXMM-KRWDZBQOSA-N 1 0 385.533 4.258 20 0 GIADRO CCN(Cc1cccc(F)c1)C(=O)Nc1ccccc1N1CC[NH+](CC)CC1 ZINC000043574913 821429158 /nfs/dbraw/zinc/42/91/58/821429158.db2.gz XGIYXFGVYNGAPT-UHFFFAOYSA-N 1 0 384.499 4.022 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)N[C@H](c2ccccc2)C2CC2)CC1 ZINC000043574516 821429228 /nfs/dbraw/zinc/42/92/28/821429228.db2.gz QQAUVIVAZDZOLE-JOCHJYFZSA-N 1 0 378.520 4.101 20 0 GIADRO CC[C@@H]1c2ccsc2CCN1C(=O)Nc1ccccc1N1CC[NH+](CC)CC1 ZINC000043584669 821429890 /nfs/dbraw/zinc/42/98/90/821429890.db2.gz DRJJXGCEFFRHSB-LJQANCHMSA-N 1 0 398.576 4.431 20 0 GIADRO CCc1ccc([C@@H](COC)[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)o1 ZINC000180744290 821430391 /nfs/dbraw/zinc/43/03/91/821430391.db2.gz VQZRYVWGLZYXPZ-YCXXCVGLSA-N 1 0 378.513 4.050 20 0 GIADRO CC(C)[NH+]1CCC(NC(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)CC1 ZINC000043603916 821430400 /nfs/dbraw/zinc/43/04/00/821430400.db2.gz SOXKKEADMCVMKA-UHFFFAOYSA-N 1 0 392.956 4.382 20 0 GIADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)Nc1nc(C2CC2)cs1 ZINC000043648833 821435970 /nfs/dbraw/zinc/43/59/70/821435970.db2.gz XSQXHLJKWJVQRT-UHFFFAOYSA-N 1 0 378.567 4.458 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000043651887 821436667 /nfs/dbraw/zinc/43/66/67/821436667.db2.gz MKPBXWULLCAFLA-QGZVFWFLSA-N 1 0 394.519 4.199 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000043654302 821436726 /nfs/dbraw/zinc/43/67/26/821436726.db2.gz QSBCWHYKLFDLMC-QGZVFWFLSA-N 1 0 394.519 4.199 20 0 GIADRO COc1cc([C@@H](C)[NH2+]CCCC(=O)N2Cc3ccccc3C2)ccc1SC ZINC000180756190 821436783 /nfs/dbraw/zinc/43/67/83/821436783.db2.gz VNPLFGYRHNQMOV-MRXNPFEDSA-N 1 0 384.545 4.390 20 0 GIADRO C[C@@H]([NH2+]CCCC(=O)N1Cc2ccccc2C1)c1ccc(F)cc1OC(F)F ZINC000180757149 821437444 /nfs/dbraw/zinc/43/74/44/821437444.db2.gz UAWZAZNYNRDREY-CQSZACIVSA-N 1 0 392.421 4.400 20 0 GIADRO Cn1cc([C@H]([NH2+]C[C@@H](O)c2cc3ccccc3s2)c2cccc(F)c2)cn1 ZINC000180762057 821440914 /nfs/dbraw/zinc/44/09/14/821440914.db2.gz YREDHXKPNUFOTA-WIYYLYMNSA-N 1 0 381.476 4.187 20 0 GIADRO Cc1ccc([C@@H]([NH2+]C[C@@]2(C)CCCS2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000180765397 821442597 /nfs/dbraw/zinc/44/25/97/821442597.db2.gz MPEQXFWZLMYGAS-NHCUHLMSSA-N 1 0 389.586 4.363 20 0 GIADRO O=C(NCc1ccc(Cl)cn1)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000180766376 821443449 /nfs/dbraw/zinc/44/34/49/821443449.db2.gz ZIYDSUUVBXWWDE-UHFFFAOYSA-N 1 0 386.927 4.110 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1ccccc1NC(=O)c1ccccc1)c1ccsc1 ZINC000043750017 821452405 /nfs/dbraw/zinc/45/24/05/821452405.db2.gz OTYISMNSZYUMQH-HXUWFJFHSA-N 1 0 393.512 4.033 20 0 GIADRO CC[C@@H]([NH2+]CCNC(=O)c1c(F)cccc1F)c1ccccc1OC(F)F ZINC000180786380 821457078 /nfs/dbraw/zinc/45/70/78/821457078.db2.gz RAEKZSIPVXGJFG-OAHLLOKOSA-N 1 0 384.373 4.037 20 0 GIADRO CC[C@H]([NH2+]CCNC(=O)c1c(F)cccc1F)c1ccccc1OC(F)F ZINC000180786364 821457091 /nfs/dbraw/zinc/45/70/91/821457091.db2.gz RAEKZSIPVXGJFG-HNNXBMFYSA-N 1 0 384.373 4.037 20 0 GIADRO CCOc1ccc(Cl)cc1[C@H](C)[NH2+]CCNC(=O)c1c(F)cccc1F ZINC000180789423 821459305 /nfs/dbraw/zinc/45/93/05/821459305.db2.gz NHERJJFIFYZZJQ-LBPRGKRZSA-N 1 0 382.838 4.098 20 0 GIADRO CCOc1cc(C[N@@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)ccc1OC ZINC000180796141 821462807 /nfs/dbraw/zinc/46/28/07/821462807.db2.gz ZMRIGBLCYFEVBS-HNNXBMFYSA-N 1 0 383.414 4.146 20 0 GIADRO CCOc1cc(C[N@@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)ccc1OC ZINC000180796158 821462906 /nfs/dbraw/zinc/46/29/06/821462906.db2.gz ZMRIGBLCYFEVBS-OAHLLOKOSA-N 1 0 383.414 4.146 20 0 GIADRO CCCOc1ccc(NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c(C)c1 ZINC000180807007 821470277 /nfs/dbraw/zinc/47/02/77/821470277.db2.gz FYVRFNSVXDQHIC-UHFFFAOYSA-N 1 0 382.508 4.217 20 0 GIADRO COC(=O)c1cc2cc(C[NH2+][C@H](C)c3ccc(-n4cccn4)cc3)ccc2o1 ZINC000180815816 821476552 /nfs/dbraw/zinc/47/65/52/821476552.db2.gz TWTMDAOTUSRYCV-OAHLLOKOSA-N 1 0 375.428 4.256 20 0 GIADRO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H](C)c1sc(-c2ccc(Cl)cc2)nc1C ZINC000180827553 821483706 /nfs/dbraw/zinc/48/37/06/821483706.db2.gz HWXOBWRUHZXOEH-RYUDHWBXSA-N 1 0 386.970 4.246 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)c1ccccc1Br)c1ccc(-n2cccn2)cc1 ZINC000180840228 821489268 /nfs/dbraw/zinc/48/92/68/821489268.db2.gz XTVMWLNQWFQRMB-IFXJQAMLSA-N 1 0 386.293 4.019 20 0 GIADRO Cc1cccc(OC(F)F)c1NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180842214 821489967 /nfs/dbraw/zinc/48/99/67/821489967.db2.gz RPUQUNKPKYELAE-UHFFFAOYSA-N 1 0 390.434 4.030 20 0 GIADRO NC(=O)c1cccc(CC[NH2+][C@H](c2ccccc2)c2ccc(OC(F)F)cc2)c1 ZINC000180847290 821492141 /nfs/dbraw/zinc/49/21/41/821492141.db2.gz YZSUDWWHTDTODB-OAQYLSRUSA-N 1 0 396.437 4.309 20 0 GIADRO C[C@@H]([NH2+]CCCc1nc(-c2ccncc2)cs1)c1ccc2c(c1)OCCO2 ZINC000180848149 821492652 /nfs/dbraw/zinc/49/26/52/821492652.db2.gz DZCUSVQRUQBICC-OAHLLOKOSA-N 1 0 381.501 4.260 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)Nc2ccccc2OCC(F)(F)F)c1 ZINC000043958567 821495210 /nfs/dbraw/zinc/49/52/10/821495210.db2.gz ZGUPHDKBCYJHNC-UHFFFAOYSA-N 1 0 381.398 4.011 20 0 GIADRO C[C@@H](c1cccc(Br)c1)[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000180855660 821497550 /nfs/dbraw/zinc/49/75/50/821497550.db2.gz GUZFJLUXQCWWEY-ZFWWWQNUSA-N 1 0 375.314 4.316 20 0 GIADRO CC(C)[NH+]1CCC(C(=O)N[C@H](c2ccccc2OC(F)F)C(F)(F)F)CC1 ZINC000180871229 821504759 /nfs/dbraw/zinc/50/47/59/821504759.db2.gz XQUIBYBVXWKGQE-OAHLLOKOSA-N 1 0 394.384 4.128 20 0 GIADRO CC(C)[NH+]1CCC(C(=O)N[C@@H](c2ccccc2OC(F)F)C(F)(F)F)CC1 ZINC000180871210 821504769 /nfs/dbraw/zinc/50/47/69/821504769.db2.gz XQUIBYBVXWKGQE-HNNXBMFYSA-N 1 0 394.384 4.128 20 0 GIADRO COc1ccc([C@@H](NCC2([NH+]3CCCCC3)CCOCC2)c2ccccc2)cc1 ZINC000180879759 821509828 /nfs/dbraw/zinc/50/98/28/821509828.db2.gz RZYZSGOOQXPZQK-DEOSSOPVSA-N 1 0 394.559 4.409 20 0 GIADRO Cc1ccc(-c2n[nH]cc2CNc2ccc(C[NH+]3CCSCC3)cc2C)o1 ZINC000180880747 821510707 /nfs/dbraw/zinc/51/07/07/821510707.db2.gz IXQHRQOIAHAGRV-UHFFFAOYSA-N 1 0 382.533 4.447 20 0 GIADRO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@H](C)Oc1ccccc1 ZINC000180890982 821517944 /nfs/dbraw/zinc/51/79/44/821517944.db2.gz SLXKDOWGLGNJKY-CABCVRRESA-N 1 0 380.410 4.480 20 0 GIADRO Cn1cc([C@@H]([NH2+]CCCOc2cccc3cccnc32)c2cccc(F)c2)cn1 ZINC000180890923 821518210 /nfs/dbraw/zinc/51/82/10/821518210.db2.gz DZJVQWKEFFLKQE-QFIPXVFZSA-N 1 0 390.462 4.256 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1cccc(NC(=O)C(C)C)c1 ZINC000044084003 821519877 /nfs/dbraw/zinc/51/98/77/821519877.db2.gz LRLRNKKFJOOVJW-UHFFFAOYSA-N 1 0 396.535 4.445 20 0 GIADRO Cc1cc(NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)ccc1OC(C)C ZINC000180899021 821523143 /nfs/dbraw/zinc/52/31/43/821523143.db2.gz UZUZNFQOXZUHBT-UHFFFAOYSA-N 1 0 382.508 4.215 20 0 GIADRO COc1ccc(C[NH2+][C@H]2CCc3[nH]c4ccc(C)cc4c3C2)c(OC)c1OC ZINC000180912477 821533038 /nfs/dbraw/zinc/53/30/38/821533038.db2.gz YOIULRMHPIKMDE-INIZCTEOSA-N 1 0 380.488 4.149 20 0 GIADRO COc1cc(C[NH2+][C@H]2CCc3[nH]c4ccc(C)cc4c3C2)cc(OC)c1OC ZINC000180914113 821534042 /nfs/dbraw/zinc/53/40/42/821534042.db2.gz FOILNXJNKBDLGA-INIZCTEOSA-N 1 0 380.488 4.149 20 0 GIADRO CCc1nc(NC(=O)C[NH2+][C@@H](C)c2ccc(-c3ccncc3)cc2)sc1C ZINC000180914209 821534203 /nfs/dbraw/zinc/53/42/03/821534203.db2.gz MXMOTXZYELGDBC-AWEZNQCLSA-N 1 0 380.517 4.365 20 0 GIADRO NC(=O)C[C@H]([NH2+]Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1)C1CCOCC1 ZINC000180918497 821537285 /nfs/dbraw/zinc/53/72/85/821537285.db2.gz XXJJHTXNJCFLII-KRWDZBQOSA-N 1 0 397.302 4.014 20 0 GIADRO COc1ccc(CN2CC[C@@H]([NH2+][C@H](C)c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000180919766 821537959 /nfs/dbraw/zinc/53/79/59/821537959.db2.gz MBPGKHPXRJZHOY-AUUYWEPGSA-N 1 0 392.421 4.166 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)Nc2cnn(C(C)(C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000180922820 821539920 /nfs/dbraw/zinc/53/99/20/821539920.db2.gz QJDZGFOJIFWQQK-PXNSSMCTSA-N 1 0 383.540 4.155 20 0 GIADRO CCOc1cccc(CNC(=O)C[NH2+][C@H](C)c2ccc(-c3ccncc3)cc2)c1 ZINC000180932208 821544791 /nfs/dbraw/zinc/54/47/91/821544791.db2.gz QUFUKNJSPIRBIA-GOSISDBHSA-N 1 0 389.499 4.114 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)COc1cccc2[nH]ccc21)c1ccc(-c2ccncc2)cc1 ZINC000180932136 821544816 /nfs/dbraw/zinc/54/48/16/821544816.db2.gz TVRZRLYTGGZEND-DYESRHJHSA-N 1 0 387.483 4.320 20 0 GIADRO O=C(CCC[NH2+]Cc1ccc(SC(F)F)cc1)N1Cc2ccccc2C1 ZINC000180938528 821547717 /nfs/dbraw/zinc/54/77/17/821547717.db2.gz SUMTWVZWIZUUDO-UHFFFAOYSA-N 1 0 376.472 4.414 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1cc(F)ccc1F)c1ccc(OCC(F)(F)F)cc1 ZINC000180951287 821553007 /nfs/dbraw/zinc/55/30/07/821553007.db2.gz FJVZQNKREZAESN-NSHDSACASA-N 1 0 388.336 4.195 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Nc1cccc(Cn2cccn2)c1)c1ccsc1 ZINC000044247709 821554451 /nfs/dbraw/zinc/55/44/51/821554451.db2.gz LTXVKQTWXQDWAY-HXUWFJFHSA-N 1 0 397.548 4.198 20 0 GIADRO COc1ccc(CN(C)C(=O)Nc2cccc(C[NH+](C)C)c2)cc1OC(F)F ZINC000044277063 821558213 /nfs/dbraw/zinc/55/82/13/821558213.db2.gz ZAOOKELXMACXAR-UHFFFAOYSA-N 1 0 393.434 4.022 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N(C)Cc1ccccc1F)c1ccc(OCC(F)(F)F)cc1 ZINC000180963612 821559302 /nfs/dbraw/zinc/55/93/02/821559302.db2.gz FEDGRHLDQUKKIR-CQSZACIVSA-N 1 0 398.400 4.076 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1cc(C(C)(C)C)no1)c1ccc(OCC(F)(F)F)cc1 ZINC000180964974 821559683 /nfs/dbraw/zinc/55/96/83/821559683.db2.gz GGHPTYFMYRUFFA-LBPRGKRZSA-N 1 0 399.413 4.203 20 0 GIADRO CCc1nc2ccccc2n1C1CC[NH+](CC(=O)N[C@H](C)c2ccccc2)CC1 ZINC000180965689 821560047 /nfs/dbraw/zinc/56/00/47/821560047.db2.gz XZBBXIVTLGLPJL-GOSISDBHSA-N 1 0 390.531 4.113 20 0 GIADRO CC[C@@H]([NH2+]C1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccc(C)cc1 ZINC000180967457 821561421 /nfs/dbraw/zinc/56/14/21/821561421.db2.gz OIGPEMBJQVFQNR-JOCHJYFZSA-N 1 0 386.561 4.030 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1ccc2oc(C3CC3)nc2c1)c1cccc(F)c1 ZINC000044309221 821566099 /nfs/dbraw/zinc/56/60/99/821566099.db2.gz SYYMWTGYYNIEMX-GOSISDBHSA-N 1 0 382.439 4.269 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(F)c(N3CCCCC3)c(F)c2)C1 ZINC000180975577 821567828 /nfs/dbraw/zinc/56/78/28/821567828.db2.gz VVXFEYNAKUBOCR-INIZCTEOSA-N 1 0 394.510 4.151 20 0 GIADRO CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+][C@@H](C)CC(=O)Nc1cccnc1Cl ZINC000180980487 821571183 /nfs/dbraw/zinc/57/11/83/821571183.db2.gz IFHMRVSLXDFDKZ-JCGVRSQUSA-N 1 0 396.318 4.471 20 0 GIADRO CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+][C@H](C)CC(=O)Nc1cccnc1Cl ZINC000180980507 821571252 /nfs/dbraw/zinc/57/12/52/821571252.db2.gz IFHMRVSLXDFDKZ-VFVRVIDISA-N 1 0 396.318 4.471 20 0 GIADRO OC[C@H]1CCC[N@@H+]1Cc1ccccc1CNCc1ccc(Oc2ccccc2)o1 ZINC000180988676 821577238 /nfs/dbraw/zinc/57/72/38/821577238.db2.gz OXBONKYIXREFQL-OAQYLSRUSA-N 1 0 392.499 4.318 20 0 GIADRO COCOc1ccc(OC)cc1C[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000180989214 821577852 /nfs/dbraw/zinc/57/78/52/821577852.db2.gz UIGKIXCVYGKKTB-GOSISDBHSA-N 1 0 377.868 4.335 20 0 GIADRO CCn1c2ccccc2nc1[C@@H](C)[NH2+][C@@H](C)CC(=O)Nc1cccnc1Cl ZINC000180991841 821579162 /nfs/dbraw/zinc/57/91/62/821579162.db2.gz DHKVPNFAERTIAR-UONOGXRCSA-N 1 0 385.899 4.173 20 0 GIADRO O[C@H]1CC[N@H+](Cc2ccccc2CNCc2ccc(-c3c(F)cccc3F)o2)C1 ZINC000180995407 821582331 /nfs/dbraw/zinc/58/23/31/821582331.db2.gz IUELRIQOJSWDPN-SFHVURJKSA-N 1 0 398.453 4.081 20 0 GIADRO CC[NH+](CC)CCOc1ccc(NC(=O)c2oc(Br)cc2C)cc1 ZINC000044412367 821585308 /nfs/dbraw/zinc/58/53/08/821585308.db2.gz XGAPKJAXCMYENF-UHFFFAOYSA-N 1 0 395.297 4.323 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CCc1nc2cc(F)ccc2n1C ZINC000181004644 821587840 /nfs/dbraw/zinc/58/78/40/821587840.db2.gz JCQASYVOFCCYOD-CYBMUJFWSA-N 1 0 395.507 4.433 20 0 GIADRO C[C@H]([NH2+]CCc1nc2cc(F)ccc2n1C)c1ccc(F)cc1OC(F)F ZINC000181005754 821588649 /nfs/dbraw/zinc/58/86/49/821588649.db2.gz OGSPAAHSUBPULL-NSHDSACASA-N 1 0 381.373 4.346 20 0 GIADRO c1sc(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)nc1-c1ccccn1 ZINC000181010932 821591602 /nfs/dbraw/zinc/59/16/02/821591602.db2.gz GXJABXSWXMHXBR-UHFFFAOYSA-N 1 0 392.572 4.044 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+]CCc2nc(-c3ccccn3)cs2)s1 ZINC000181012610 821592973 /nfs/dbraw/zinc/59/29/73/821592973.db2.gz ZWFFLBAODRAZNR-CYBMUJFWSA-N 1 0 388.562 4.052 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)C[NH2+][C@@H](c2cccc(F)c2)C2CCCC2)c1 ZINC000181014032 821594273 /nfs/dbraw/zinc/59/42/73/821594273.db2.gz JBLJVHFLNWKUEG-JOCHJYFZSA-N 1 0 383.467 4.244 20 0 GIADRO O=C(C[NH+]1CCCCCC1)Nc1cccc(NCc2cccc(Cl)c2O)c1 ZINC000181015957 821594636 /nfs/dbraw/zinc/59/46/36/821594636.db2.gz BVEHCUAAUJHVHW-UHFFFAOYSA-N 1 0 387.911 4.472 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)[C@@H]2CCCN(c3nc4ccccc4s3)C2)c1 ZINC000044504036 821595553 /nfs/dbraw/zinc/59/55/53/821595553.db2.gz SOILKZRROABMPY-QGZVFWFLSA-N 1 0 394.544 4.213 20 0 GIADRO O[C@H](C[NH2+][C@H](c1cccc(Cl)c1)C1CCCCC1)COC1CCOCC1 ZINC000181025163 821599601 /nfs/dbraw/zinc/59/96/01/821599601.db2.gz IGVMSSOJZGVXTC-CTNGQTDRSA-N 1 0 381.944 4.108 20 0 GIADRO COC(=O)[C@@H](C)C[N@H+](Cc1cc(-c2c(OC)ccc3ccccc32)no1)C1CC1 ZINC000181065037 821615761 /nfs/dbraw/zinc/61/57/61/821615761.db2.gz HKDAGIDYGUWKFV-HNNXBMFYSA-N 1 0 394.471 4.277 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(N2CCOC2=O)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000181068235 821616908 /nfs/dbraw/zinc/61/69/08/821616908.db2.gz ZHMLECBZSQMNGL-CYBMUJFWSA-N 1 0 380.366 4.393 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(N2CCOC2=O)cc1)c1cccc(Br)c1 ZINC000181068140 821616941 /nfs/dbraw/zinc/61/69/41/821616941.db2.gz JIFFSPGRXFJXCO-CYBMUJFWSA-N 1 0 375.266 4.257 20 0 GIADRO Cc1ccoc1C(=O)NCCC[NH2+][C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000181076425 821620395 /nfs/dbraw/zinc/62/03/95/821620395.db2.gz LQQUQEBEURMNDP-KRWDZBQOSA-N 1 0 395.528 4.499 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc2[nH]c(C(F)F)nc2c1)c1ccco1 ZINC000181105497 821635272 /nfs/dbraw/zinc/63/52/72/821635272.db2.gz LGOYVZTVTBRYNV-HNNXBMFYSA-N 1 0 391.422 4.298 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)c1c(Cl)cccc1Cl)c1ccc(N2CCOC2=O)cc1 ZINC000181105905 821635319 /nfs/dbraw/zinc/63/53/19/821635319.db2.gz UCCBENXZOCXPJQ-SJKOYZFVSA-N 1 0 395.286 4.334 20 0 GIADRO COc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H](O)c1c(Cl)cccc1Cl ZINC000181107341 821636414 /nfs/dbraw/zinc/63/64/14/821636414.db2.gz ANJLOHYUONPIOE-BLLLJJGKSA-N 1 0 397.302 4.042 20 0 GIADRO COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H](O)c2c(Cl)cccc2Cl)cc1 ZINC000181107670 821636981 /nfs/dbraw/zinc/63/69/81/821636981.db2.gz DKFBBPHJBFZPPT-SJCJKPOMSA-N 1 0 397.302 4.042 20 0 GIADRO COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H](O)c2c(Cl)cccc2Cl)cc1 ZINC000181107725 821637268 /nfs/dbraw/zinc/63/72/68/821637268.db2.gz DKFBBPHJBFZPPT-SJKOYZFVSA-N 1 0 397.302 4.042 20 0 GIADRO CCOc1c(Br)cc(Br)cc1C[NH2+]CCCCOC ZINC000044657565 821638684 /nfs/dbraw/zinc/63/86/84/821638684.db2.gz MBPYZLTZMYCGGH-UHFFFAOYSA-N 1 0 395.135 4.127 20 0 GIADRO COCCOC1CC[NH+](Cc2cc(-c3c(OC)ccc4ccccc43)no2)CC1 ZINC000181115505 821641504 /nfs/dbraw/zinc/64/15/04/821641504.db2.gz YCMCZKFIPVRIDJ-UHFFFAOYSA-N 1 0 396.487 4.131 20 0 GIADRO CCCOc1ccc([C@H](C)[NH2+]C2CCC(S(C)(=O)=O)CC2)cc1OCCC ZINC000181120823 821645532 /nfs/dbraw/zinc/64/55/32/821645532.db2.gz CQKSGTYSPGEFKI-IVMQYODDSA-N 1 0 397.581 4.271 20 0 GIADRO COc1ccc(Cl)cc1[C@@H](CC(C)C)[NH2+]C1CCC(S(C)(=O)=O)CC1 ZINC000181122204 821647075 /nfs/dbraw/zinc/64/70/75/821647075.db2.gz PCIAOVRHFOBULV-LEOMRAHMSA-N 1 0 387.973 4.381 20 0 GIADRO Cc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C(F)(F)F)s1 ZINC000044796558 821663942 /nfs/dbraw/zinc/66/39/42/821663942.db2.gz KMLLHMADGWMBBR-UHFFFAOYSA-N 1 0 383.439 4.079 20 0 GIADRO C[NH+]1CCN(c2ccc(NC(=O)CCc3ccsc3)c(C(F)(F)F)c2)CC1 ZINC000044796813 821664335 /nfs/dbraw/zinc/66/43/35/821664335.db2.gz QGEOAEXPZOZGFO-UHFFFAOYSA-N 1 0 397.466 4.090 20 0 GIADRO C[NH+]1CCN(c2ccc(NC(=O)CCC3CCCC3)c(C(F)(F)F)c2)CC1 ZINC000044796626 821664607 /nfs/dbraw/zinc/66/46/07/821664607.db2.gz WNDCUNXHMXJJGL-UHFFFAOYSA-N 1 0 383.458 4.366 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc(OC(F)F)cc1)C(=O)NCc1ccccc1Cl ZINC000044803118 821665150 /nfs/dbraw/zinc/66/51/50/821665150.db2.gz PQJWDOQPVYNAJP-CHWSQXEVSA-N 1 0 382.838 4.297 20 0 GIADRO C[C@H]([NH2+]CCCN1C(=O)COc2ccccc21)[C@H](C)c1nc2ccccc2s1 ZINC000181151238 821665600 /nfs/dbraw/zinc/66/56/00/821665600.db2.gz ULAMKXPTZWVROJ-HOTGVXAUSA-N 1 0 395.528 4.194 20 0 GIADRO COc1ccc2ccccc2c1-c1cc(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)on1 ZINC000181151875 821666316 /nfs/dbraw/zinc/66/63/16/821666316.db2.gz ZGVLMHIYRNHBTD-FPOVZHCZSA-N 1 0 396.512 4.210 20 0 GIADRO Fc1ccc([C@H]([NH2+]C[C@@H]2COC3(CCOCC3)O2)c2ccccc2Cl)cc1 ZINC000181158761 821670844 /nfs/dbraw/zinc/67/08/44/821670844.db2.gz SNZFMTLGJOTNEW-XLIONFOSSA-N 1 0 391.870 4.080 20 0 GIADRO C[C@@H](c1nc2ccccc2o1)[NH+]1CCC(C(=O)NCCc2cccs2)CC1 ZINC000181160125 821671727 /nfs/dbraw/zinc/67/17/27/821671727.db2.gz ZIUKSPZMWNYAKE-HNNXBMFYSA-N 1 0 383.517 4.021 20 0 GIADRO COc1ccc(-c2ccc(C[NH2+][C@H](C)c3ccc(-n4cnnn4)cc3)cc2)cc1 ZINC000181167861 821675830 /nfs/dbraw/zinc/67/58/30/821675830.db2.gz ITFJQRLEXBOZFW-QGZVFWFLSA-N 1 0 385.471 4.189 20 0 GIADRO CSc1ccc(CN(C)C(=O)C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)cc1 ZINC000181179884 821681133 /nfs/dbraw/zinc/68/11/33/821681133.db2.gz WWDUBKFLLMATKJ-UGKGYDQZSA-N 1 0 398.572 4.124 20 0 GIADRO C[C@@H]([NH2+][C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1)C1CCC1 ZINC000181194235 821689149 /nfs/dbraw/zinc/68/91/49/821689149.db2.gz FFTVYRVUENNBJF-XCLFUZPHSA-N 1 0 379.472 4.236 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)[C@H]1CCCC[C@@H]1C(F)(F)F)[NH+]1CCCC1 ZINC000045014460 821690989 /nfs/dbraw/zinc/69/09/89/821690989.db2.gz ZLHZOODCXIZCEE-SZMVWBNQSA-N 1 0 398.469 4.317 20 0 GIADRO Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)NCC(C)(C)[NH+](C)C ZINC000045012747 821691085 /nfs/dbraw/zinc/69/10/85/821691085.db2.gz PBKZGSSNCBACKK-UHFFFAOYSA-N 1 0 393.940 4.032 20 0 GIADRO C[C@H](NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1)c1nccs1 ZINC000181200193 821692620 /nfs/dbraw/zinc/69/26/20/821692620.db2.gz FAFKJDIMOFSKIZ-IBGZPJMESA-N 1 0 392.572 4.316 20 0 GIADRO CCCCOc1ccc(C[NH2+][C@@H](C)c2cnc3cc(C)nn3c2C)cc1OC ZINC000181201734 821693491 /nfs/dbraw/zinc/69/34/91/821693491.db2.gz VYIGHIKRMDZUNF-INIZCTEOSA-N 1 0 382.508 4.384 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000181205744 821696406 /nfs/dbraw/zinc/69/64/06/821696406.db2.gz LKZGAWCYWWIAOW-QAPCUYQASA-N 1 0 388.895 4.045 20 0 GIADRO c1ccc(-c2noc(CCC[NH2+][C@@H](C[C@@H]3CCOC3)c3ccccc3)n2)cc1 ZINC000181213329 821700684 /nfs/dbraw/zinc/70/06/84/821700684.db2.gz QCYXWFJZMDTBPV-RXVVDRJESA-N 1 0 377.488 4.427 20 0 GIADRO c1ccc(-c2noc(CCC[NH2+][C@H](C[C@@H]3CCOC3)c3ccccc3)n2)cc1 ZINC000181213347 821700821 /nfs/dbraw/zinc/70/08/21/821700821.db2.gz QCYXWFJZMDTBPV-GHTZIAJQSA-N 1 0 377.488 4.427 20 0 GIADRO C[C@@H]([NH2+]CC1(CS(C)(=O)=O)CC1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000181228032 821707364 /nfs/dbraw/zinc/70/73/64/821707364.db2.gz FNULOJVMILSAQK-OAHLLOKOSA-N 1 0 377.481 4.093 20 0 GIADRO Cc1ccccc1COc1ccc([C@H](C)[NH2+]CC2(CS(C)(=O)=O)CC2)cc1 ZINC000181228785 821707443 /nfs/dbraw/zinc/70/74/43/821707443.db2.gz DAOKYJCFSOJHPY-SFHVURJKSA-N 1 0 387.545 4.049 20 0 GIADRO O=C(C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)Nc1cccc(C(F)(F)F)c1 ZINC000181233770 821710286 /nfs/dbraw/zinc/71/02/86/821710286.db2.gz WZMIBBAWRBNRRU-HNAYVOBHSA-N 1 0 392.421 4.401 20 0 GIADRO CCOc1ccc(C[N@H+](CCCn2ccnc2)Cc2cnc3ccccn23)cc1 ZINC000181234409 821711006 /nfs/dbraw/zinc/71/10/06/821711006.db2.gz WQQAFHCYJFCDLJ-UHFFFAOYSA-N 1 0 389.503 4.022 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1cc2c(cccc2F)[nH]1 ZINC000181240673 821714901 /nfs/dbraw/zinc/71/49/01/821714901.db2.gz TWWAVMPQEVCJNA-UHFFFAOYSA-N 1 0 380.467 4.081 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+][C@H]2CCN(c3ccc(F)c(Cl)c3)C2)c1 ZINC000181250038 821718190 /nfs/dbraw/zinc/71/81/90/821718190.db2.gz LSTBRQLWLQSKRS-GUYCJALGSA-N 1 0 375.875 4.367 20 0 GIADRO CC(C)n1cc([C@@H](C)[NH2+][C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cn1 ZINC000181252590 821719208 /nfs/dbraw/zinc/71/92/08/821719208.db2.gz AATZCVJRXNAHJV-SJKOYZFVSA-N 1 0 381.307 4.227 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]Cc2cccc(Br)c2OC)cc1OC ZINC000181261270 821722839 /nfs/dbraw/zinc/72/28/39/821722839.db2.gz WMFKZJIHQRJXFA-GFCCVEGCSA-N 1 0 380.282 4.326 20 0 GIADRO COc1ccc([C@H](C)[NH2+]Cc2ccccc2N2CCCCC2)cc1NC(C)=O ZINC000181266851 821725064 /nfs/dbraw/zinc/72/50/64/821725064.db2.gz WMGIIEXUKORHHG-KRWDZBQOSA-N 1 0 381.520 4.495 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)Nc2cc(C(=O)OC)ccc2C)CC1 ZINC000181269444 821725632 /nfs/dbraw/zinc/72/56/32/821725632.db2.gz HACDUKIDLUPGLR-UHFFFAOYSA-N 1 0 389.540 4.148 20 0 GIADRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1ccc(-c2cccs2)cc1 ZINC000181269695 821726320 /nfs/dbraw/zinc/72/63/20/821726320.db2.gz UHHUBBCTLRNBMM-OAHLLOKOSA-N 1 0 390.574 4.022 20 0 GIADRO C[C@H]([NH2+]CC(=O)NCC1(c2ccccc2)CC1)c1ccc(-c2cccnc2)cc1 ZINC000181274254 821727598 /nfs/dbraw/zinc/72/75/98/821727598.db2.gz MZHKTKMONPHPSW-IBGZPJMESA-N 1 0 385.511 4.247 20 0 GIADRO CC1(CNC(=O)[C@@H](Sc2ccc(F)c(F)c2)c2ccccc2)CC[NH2+]CC1 ZINC000181274570 821728303 /nfs/dbraw/zinc/72/83/03/821728303.db2.gz ZKOJGAGMIOFZJK-IBGZPJMESA-N 1 0 390.499 4.304 20 0 GIADRO CCn1c(C[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)nc2cc(F)ccc21 ZINC000181276209 821729233 /nfs/dbraw/zinc/72/92/33/821729233.db2.gz QRRQTLYGDPUNFO-CQSZACIVSA-N 1 0 382.439 4.003 20 0 GIADRO COc1ccccc1N1CC[C@H]([NH2+][C@@H](C)c2ccc(-c3ccncc3)cc2)C1=O ZINC000181286972 821735812 /nfs/dbraw/zinc/73/58/12/821735812.db2.gz PBQGVMRJOQLXTA-UWJYYQICSA-N 1 0 387.483 4.213 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1)C(=O)NC(=O)Nc1ccccc1 ZINC000181287510 821736259 /nfs/dbraw/zinc/73/62/59/821736259.db2.gz PEYQJUDQPYJCTO-IRXDYDNUSA-N 1 0 388.471 4.136 20 0 GIADRO COc1ccccc1CNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000181288182 821736457 /nfs/dbraw/zinc/73/64/57/821736457.db2.gz PEXPZTHUUIZTBF-MSOLQXFVSA-N 1 0 389.499 4.113 20 0 GIADRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(-c3cccnc3)cc2)cc1 ZINC000181292233 821739332 /nfs/dbraw/zinc/73/93/32/821739332.db2.gz JOIWSYSFEXKRTD-IAGOWNOFSA-N 1 0 375.472 4.435 20 0 GIADRO COCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(Cl)c(Cl)c1Cl)CC2 ZINC000181298138 821741943 /nfs/dbraw/zinc/74/19/43/821741943.db2.gz DVVBQZPTZPCNJN-NXEZZACHSA-N 1 0 389.714 4.050 20 0 GIADRO Cc1nc2ccccc2nc1C[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181300937 821743362 /nfs/dbraw/zinc/74/33/62/821743362.db2.gz RQCLMSHBFJKFDE-SFHVURJKSA-N 1 0 384.487 4.103 20 0 GIADRO C[C@H]([NH2+]CCc1cccc(OC(F)(F)F)c1)c1cccc(N2CCOC2=O)c1 ZINC000181304816 821745111 /nfs/dbraw/zinc/74/51/11/821745111.db2.gz JMJWXEYJXBWTQP-AWEZNQCLSA-N 1 0 394.393 4.435 20 0 GIADRO Cc1cc2ncc([C@@H](C)[NH2+][C@H](C)c3c(C)nn(CC(F)(F)F)c3C)c(C)n2n1 ZINC000181307035 821747139 /nfs/dbraw/zinc/74/71/39/821747139.db2.gz FNHOEJIMUISUPG-VXGBXAGGSA-N 1 0 394.445 4.134 20 0 GIADRO Cc1cc2ncc([C@H](C)[NH2+][C@H](C)c3c(C)nn(CC(F)(F)F)c3C)c(C)n2n1 ZINC000181307052 821747147 /nfs/dbraw/zinc/74/71/47/821747147.db2.gz FNHOEJIMUISUPG-NWDGAFQWSA-N 1 0 394.445 4.134 20 0 GIADRO Cc1cc(C)n(-c2ccc(C[NH2+][C@H](C)c3cccc(N4CCOC4=O)c3)cc2)n1 ZINC000181309802 821748350 /nfs/dbraw/zinc/74/83/50/821748350.db2.gz YPQMLXNKGWXUCX-GOSISDBHSA-N 1 0 390.487 4.297 20 0 GIADRO CCOc1ccc(C(C)=O)cc1C[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000181311114 821749681 /nfs/dbraw/zinc/74/96/81/821749681.db2.gz KGHWSPLCEVWVJV-HNNXBMFYSA-N 1 0 382.460 4.095 20 0 GIADRO C[C@H]([NH2+]CC(=O)N1CCC[C@@H](C(F)(F)F)C1)c1ccc(-c2cccnc2)cc1 ZINC000181311589 821749825 /nfs/dbraw/zinc/74/98/25/821749825.db2.gz HZMZJWGHIBBWLI-HNAYVOBHSA-N 1 0 391.437 4.200 20 0 GIADRO O=C1Nc2ccccc2C12CCC([NH2+]Cc1nnc(-c3ccccc3)s1)CC2 ZINC000181311627 821750442 /nfs/dbraw/zinc/75/04/42/821750442.db2.gz UPCOLAZRKVHSKN-UHFFFAOYSA-N 1 0 390.512 4.127 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CCCOc3c(F)cccc32)cc1 ZINC000181321996 821758096 /nfs/dbraw/zinc/75/80/96/821758096.db2.gz YIIGREIBVSDABF-LIRRHRJNSA-N 1 0 392.496 4.152 20 0 GIADRO C[C@@H]([NH2+]CCOc1ncc(Cl)cc1Cl)c1cccc(N2CCOC2=O)c1 ZINC000181341728 821773084 /nfs/dbraw/zinc/77/30/84/821773084.db2.gz HVLXVRPKTGQUCK-GFCCVEGCSA-N 1 0 396.274 4.075 20 0 GIADRO COc1cc(NC(=O)C[NH2+][C@H](CC2CCC2)c2ccccc2)cc(OC)c1OC ZINC000181346607 821776392 /nfs/dbraw/zinc/77/63/92/821776392.db2.gz QOFZLKXPAMEWEJ-LJQANCHMSA-N 1 0 398.503 4.172 20 0 GIADRO CCOc1ccc(C(C)=O)cc1C[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000181359924 821786438 /nfs/dbraw/zinc/78/64/38/821786438.db2.gz YVIPSONHCACHNP-INIZCTEOSA-N 1 0 380.488 4.266 20 0 GIADRO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)cc1F ZINC000181365699 821790375 /nfs/dbraw/zinc/79/03/75/821790375.db2.gz SEVRSCXKHLTWPZ-KZNAEPCWSA-N 1 0 399.510 4.037 20 0 GIADRO Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000181385674 821799257 /nfs/dbraw/zinc/79/92/57/821799257.db2.gz UPJXRGCSBZSDMM-HZPDHXFCSA-N 1 0 399.922 4.453 20 0 GIADRO CC[C@H]([NH2+][C@H](CO)c1cccc(Br)c1)c1ccc2c(c1)CCO2 ZINC000181392124 821802759 /nfs/dbraw/zinc/80/27/59/821802759.db2.gz CMRCATIAEVOBLB-ZWKOTPCHSA-N 1 0 376.294 4.158 20 0 GIADRO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)cc1C ZINC000181392921 821803027 /nfs/dbraw/zinc/80/30/27/821803027.db2.gz HYRCILLSFNIUFZ-QZTJIDSGSA-N 1 0 379.504 4.108 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)s1 ZINC000181393437 821803761 /nfs/dbraw/zinc/80/37/61/821803761.db2.gz XJVVFWBRVKSYMA-HUUCEWRRSA-N 1 0 387.549 4.179 20 0 GIADRO C[C@@H]([NH2+][C@H](CO)c1cccc(Br)c1)c1ccc(-n2ccnc2)cc1 ZINC000181394889 821805184 /nfs/dbraw/zinc/80/51/84/821805184.db2.gz IMDOYBBAYFFRSZ-AUUYWEPGSA-N 1 0 386.293 4.019 20 0 GIADRO C[C@H](NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccccc1OC(F)(F)F ZINC000181417020 821814847 /nfs/dbraw/zinc/81/48/47/821814847.db2.gz OIFFOLROMXYGFT-WBAXXEDZSA-N 1 0 386.458 4.004 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+]CCc2ccc(Br)cc2)s1 ZINC000181421575 821817651 /nfs/dbraw/zinc/81/76/51/821817651.db2.gz ZWJHFZGODXVWQP-LBPRGKRZSA-N 1 0 383.355 4.296 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+]CCc2ccc(Br)cc2)s1 ZINC000181421556 821817719 /nfs/dbraw/zinc/81/77/19/821817719.db2.gz ZWJHFZGODXVWQP-GFCCVEGCSA-N 1 0 383.355 4.296 20 0 GIADRO Cc1cc2oc(=O)cc(C[NH2+][C@H](C)c3cccc(N4CCCC4=O)c3)c2cc1C ZINC000181426699 821821206 /nfs/dbraw/zinc/82/12/06/821821206.db2.gz AITNGYWACKWPMZ-QGZVFWFLSA-N 1 0 390.483 4.387 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+]Cc2cc(OC)ccc2OC(F)F)s1 ZINC000181433670 821825247 /nfs/dbraw/zinc/82/52/47/821825247.db2.gz ZKOHWDLPSJSRAZ-NSHDSACASA-N 1 0 386.464 4.101 20 0 GIADRO C[C@@H](NC(=O)[C@@H](C)c1ccc(Br)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181435021 821825818 /nfs/dbraw/zinc/82/58/18/821825818.db2.gz FHAUDXGQZZZCLZ-ZMSDIMECSA-N 1 0 393.369 4.322 20 0 GIADRO C[C@@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1cc2c(ccc3ccccc23)o1 ZINC000181449487 821830823 /nfs/dbraw/zinc/83/08/23/821830823.db2.gz IPYFCLVCGGRSOS-OAHLLOKOSA-N 1 0 394.496 4.127 20 0 GIADRO C[C@@H](NC(=O)CCCOc1ccccc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181453779 821832564 /nfs/dbraw/zinc/83/25/64/821832564.db2.gz YSPMLYSHNNVNKM-SJORKVTESA-N 1 0 378.944 4.268 20 0 GIADRO C[C@H](NC(=O)Cc1csc(-c2cccs2)n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181454249 821833164 /nfs/dbraw/zinc/83/31/64/821833164.db2.gz RGQACYWPAABJLI-GJZGRUSLSA-N 1 0 389.590 4.183 20 0 GIADRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(Br)cc2N2CCOCC2)o1 ZINC000181457895 821835068 /nfs/dbraw/zinc/83/50/68/821835068.db2.gz AANOJZQRODPLBZ-CQSZACIVSA-N 1 0 379.298 4.038 20 0 GIADRO Nc1ccc(F)c(NC(=O)CC[NH2+]C2(c3cccc(Cl)c3)CCCC2)c1 ZINC000181458320 821835404 /nfs/dbraw/zinc/83/54/04/821835404.db2.gz TVMPMDZTEIGNKY-UHFFFAOYSA-N 1 0 375.875 4.449 20 0 GIADRO Cc1ccc([C@H](OC[C@@H](O)C[N@H+](C)CCc2ccncc2)c2ccccc2)cc1 ZINC000181459957 821836576 /nfs/dbraw/zinc/83/65/76/821836576.db2.gz VMJAAIZYZPROKO-LOSJGSFVSA-N 1 0 390.527 4.031 20 0 GIADRO C[C@H](NC(=O)CCOc1ccc(F)cc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181469169 821840399 /nfs/dbraw/zinc/84/03/99/821840399.db2.gz FAOCBDPLRCROFC-GJZGRUSLSA-N 1 0 382.907 4.017 20 0 GIADRO C[C@@H](NC(=O)c1cc2c(cccc2OC(F)F)[nH]1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181492972 821851639 /nfs/dbraw/zinc/85/16/39/821851639.db2.gz XMXORFXYLSCTFR-KGLIPLIRSA-N 1 0 391.462 4.152 20 0 GIADRO C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)[N@H+](C)CCc1ccncc1 ZINC000181495484 821852909 /nfs/dbraw/zinc/85/29/09/821852909.db2.gz LFZRTFWAUZWJKN-SFHVURJKSA-N 1 0 375.472 4.375 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@H]1CCc2ccccc21 ZINC000181501206 821856070 /nfs/dbraw/zinc/85/60/70/821856070.db2.gz CSRNUODXUVHZRT-OAQYLSRUSA-N 1 0 392.547 4.060 20 0 GIADRO C[C@H](NC(=O)CCc1cccc(Br)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181507436 821858834 /nfs/dbraw/zinc/85/88/34/821858834.db2.gz KTQYAQJPRDDQLR-DOTOQJQBSA-N 1 0 393.369 4.151 20 0 GIADRO C[C@H](NC(=O)COc1cc(Cl)ccc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181509243 821860165 /nfs/dbraw/zinc/86/01/65/821860165.db2.gz WQXIDFRKEHBKPG-KBPBESRZSA-N 1 0 385.335 4.141 20 0 GIADRO CO[C@@H](C)c1nc(C[NH2+][C@H](CNC(=O)OC(C)(C)C)C2CCCCC2)cs1 ZINC000181514548 821862307 /nfs/dbraw/zinc/86/23/07/821862307.db2.gz GRJGSDIDYFPGMY-WMLDXEAASA-N 1 0 397.585 4.414 20 0 GIADRO COc1cc(C[NH2+]Cc2cccc3cnccc32)cc(Br)c1OC ZINC000181524232 821865903 /nfs/dbraw/zinc/86/59/03/821865903.db2.gz CJCCFRHZEBUNLI-UHFFFAOYSA-N 1 0 387.277 4.304 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1cc2c(cc1Cl)OCCCO2)[C@@H](C)c1ccccc1 ZINC000181527248 821867317 /nfs/dbraw/zinc/86/73/17/821867317.db2.gz XIEBBUKWCGSPBK-HUUCEWRRSA-N 1 0 388.895 4.222 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1cc2c(cc1Cl)OCCCO2)[C@H](C)c1ccccc1 ZINC000181527270 821867405 /nfs/dbraw/zinc/86/74/05/821867405.db2.gz XIEBBUKWCGSPBK-LSDHHAIUSA-N 1 0 388.895 4.222 20 0 GIADRO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc(O)c2)c(Br)c1 ZINC000181528856 821868051 /nfs/dbraw/zinc/86/80/51/821868051.db2.gz BPFWPASVICLQTK-QWHCGFSZSA-N 1 0 377.282 4.141 20 0 GIADRO Cc1ccc(Br)cc1NC(=O)CC[NH2+]Cc1cccc2cnccc21 ZINC000181530356 821868573 /nfs/dbraw/zinc/86/85/73/821868573.db2.gz WXUQKXMPHFUDPY-UHFFFAOYSA-N 1 0 398.304 4.424 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCO2)[C@H](OC1CCOCC1)c1ccccc1 ZINC000181538093 821872561 /nfs/dbraw/zinc/87/25/61/821872561.db2.gz VISWKCHLFUTTEN-MFEFFIJZSA-N 1 0 383.488 4.391 20 0 GIADRO Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CCOc2ncccc2C(F)(F)F)c1C ZINC000181539244 821873257 /nfs/dbraw/zinc/87/32/57/821873257.db2.gz CIMCIZMVTFYEPI-CQSZACIVSA-N 1 0 395.425 4.103 20 0 GIADRO CC[N@H+](CCCc1ccccc1Cl)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000181540665 821874262 /nfs/dbraw/zinc/87/42/62/821874262.db2.gz FCEVJMGSQVNSHQ-UHFFFAOYSA-N 1 0 387.911 4.192 20 0 GIADRO COC1(C[NH2+][C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)CCOCC1 ZINC000181544020 821874844 /nfs/dbraw/zinc/87/48/44/821874844.db2.gz AODYKWYIUXMOQN-MRXNPFEDSA-N 1 0 376.497 4.112 20 0 GIADRO C[C@@H](NC(=O)CCc1ncc(-c2ccccc2F)o1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181543489 821874868 /nfs/dbraw/zinc/87/48/68/821874868.db2.gz AEFDIKKRJQCIQU-IAGOWNOFSA-N 1 0 399.510 4.183 20 0 GIADRO O=C(Nc1ccc(COc2ccccc2)cc1)NC1CC[NH+](CC2CC2)CC1 ZINC000181545938 821875434 /nfs/dbraw/zinc/87/54/34/821875434.db2.gz GMBVRMVAVQOASY-UHFFFAOYSA-N 1 0 379.504 4.262 20 0 GIADRO CC[C@H]([NH2+]C[C@H](O)c1ccccc1Br)c1cccc([N+](=O)[O-])c1 ZINC000181549316 821876868 /nfs/dbraw/zinc/87/68/68/821876868.db2.gz AJCCOAZJAXWJNQ-IRXDYDNUSA-N 1 0 379.254 4.132 20 0 GIADRO O=C(Cc1nc(C[NH2+][C@H](Cc2ccccc2)C2CC2)cs1)Nc1ccccc1 ZINC000181553959 821878556 /nfs/dbraw/zinc/87/85/56/821878556.db2.gz GVTBAZADHXOVPE-OAQYLSRUSA-N 1 0 391.540 4.435 20 0 GIADRO CCOCc1cc(C[NH+]2CCC(OCc3ccccc3OC)CC2)ccc1OC ZINC000181552916 821878704 /nfs/dbraw/zinc/87/87/04/821878704.db2.gz KTOBDCUMUOMUDH-UHFFFAOYSA-N 1 0 399.531 4.422 20 0 GIADRO Cc1c([C@H](C)[NH2+]C[C@@H](c2ccccc2)C(C)(C)CO)nnn1-c1ccc(F)cc1 ZINC000181554711 821878939 /nfs/dbraw/zinc/87/89/39/821878939.db2.gz RPMRUOVOZPXHEE-KKSFZXQISA-N 1 0 396.510 4.168 20 0 GIADRO O=C1OCCN1c1ccc(C[NH2+]Cc2ccc(-c3c(F)cccc3F)o2)cc1 ZINC000181560468 821881280 /nfs/dbraw/zinc/88/12/80/821881280.db2.gz XNNFKUISJWCSGU-UHFFFAOYSA-N 1 0 384.382 4.471 20 0 GIADRO c1ccc(-c2nnc(CC[NH2+][C@@H]3CCCOc4cc5c(cc43)CCC5)o2)cc1 ZINC000181564801 821882784 /nfs/dbraw/zinc/88/27/84/821882784.db2.gz PTACBKYHAJGPLH-HXUWFJFHSA-N 1 0 375.472 4.271 20 0 GIADRO COC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(OCC3CC3)c(F)c2)cc1F ZINC000181574180 821885251 /nfs/dbraw/zinc/88/52/51/821885251.db2.gz NTQSWHJDWGDTSM-ZDUSSCGKSA-N 1 0 375.415 4.391 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1ccc(F)cc1F)c1ccc(OCC2CC2)c(F)c1 ZINC000181574484 821885488 /nfs/dbraw/zinc/88/54/88/821885488.db2.gz NQZLBXFSRJHLAD-LBPRGKRZSA-N 1 0 378.394 4.182 20 0 GIADRO Cn1cc(C[NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)c(C(F)(F)F)n1 ZINC000181580579 821887705 /nfs/dbraw/zinc/88/77/05/821887705.db2.gz IQCGDOLZPAKBCO-CYBMUJFWSA-N 1 0 379.304 4.115 20 0 GIADRO C[C@H](c1ccncc1)N1CCC([NH2+][C@@H](C)c2ccc3c(c2)OCCCO3)CC1 ZINC000181586884 821891151 /nfs/dbraw/zinc/89/11/51/821891151.db2.gz IPKPWQWHCKDMHP-ZWKOTPCHSA-N 1 0 381.520 4.119 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]C2CCN([C@H](C)c3ccncc3)CC2)cc1 ZINC000181588414 821892164 /nfs/dbraw/zinc/89/21/64/821892164.db2.gz YVIYMBNKJSLGRD-RTBURBONSA-N 1 0 389.547 4.452 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]C2CCN([C@@H](C)c3ccncc3)CC2)cc1 ZINC000181588376 821892318 /nfs/dbraw/zinc/89/23/18/821892318.db2.gz YVIYMBNKJSLGRD-MOPGFXCFSA-N 1 0 389.547 4.452 20 0 GIADRO CCOCc1ccccc1CNC(=O)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000181606341 821899825 /nfs/dbraw/zinc/89/98/25/821899825.db2.gz DKXITRYVGMLGKL-HNNXBMFYSA-N 1 0 394.437 4.209 20 0 GIADRO C[N@@H+]1CCCN(C(=O)Nc2cc(Cl)ccc2SCC(F)(F)F)CC1 ZINC000181608597 821901022 /nfs/dbraw/zinc/90/10/22/821901022.db2.gz HHLRUMJLBIURQN-UHFFFAOYSA-N 1 0 381.851 4.164 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(COC3CCOCC3)cc2)c(OC)c1 ZINC000181609463 821901780 /nfs/dbraw/zinc/90/17/80/821901780.db2.gz ZHLZRWOKEFZVDN-QGZVFWFLSA-N 1 0 385.504 4.250 20 0 GIADRO Cc1noc(C)c1[C@H](C)C[NH2+][C@H](C)c1ccc(I)cc1 ZINC000181629363 821912573 /nfs/dbraw/zinc/91/25/73/821912573.db2.gz DACMZBRVIUWODL-GHMZBOCLSA-N 1 0 384.261 4.350 20 0 GIADRO COc1ccc([C@H](C)[NH2+]C2CCN(CC(F)(F)F)CC2)c(Br)c1 ZINC000181644860 821920360 /nfs/dbraw/zinc/92/03/60/821920360.db2.gz VFCOOMWONXBGIL-NSHDSACASA-N 1 0 395.263 4.135 20 0 GIADRO C[C@@H]([NH2+]CC1([C@@H](O)c2ccccc2)CC1)c1ccc(OCc2nccn2C)cc1 ZINC000181646326 821920549 /nfs/dbraw/zinc/92/05/49/821920549.db2.gz VSBAANXTPDVSIP-JPYJTQIMSA-N 1 0 391.515 4.164 20 0 GIADRO COC[C@@H]([NH2+]CC(=O)N1CCCCC[C@H]1c1ccc(OC)cc1)c1ccccc1 ZINC000181658544 821927407 /nfs/dbraw/zinc/92/74/07/821927407.db2.gz OUVCFXTWTCVFNA-PKTZIBPZSA-N 1 0 396.531 4.116 20 0 GIADRO COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@@H](C)c2ccc(OCC#N)cc2)C1 ZINC000181658208 821927643 /nfs/dbraw/zinc/92/76/43/821927643.db2.gz NDZIPPFWUNJQIF-YJBOKZPZSA-N 1 0 385.895 4.180 20 0 GIADRO O=C(Nc1ccccc1N1CCc2ccccc21)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000181665806 821932990 /nfs/dbraw/zinc/93/29/90/821932990.db2.gz QZXYOAXSYBDSPJ-IBGZPJMESA-N 1 0 390.531 4.330 20 0 GIADRO CC[C@H](CSc1ccccc1)[NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(OC)c1 ZINC000181667485 821934267 /nfs/dbraw/zinc/93/42/67/821934267.db2.gz PMWVHAIKAFAUCV-NVXWUHKLSA-N 1 0 393.574 4.320 20 0 GIADRO C[C@@H](NC(=O)c1occc1COc1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181669209 821934735 /nfs/dbraw/zinc/93/47/35/821934735.db2.gz NXAOSGQNOUCXSZ-QZTJIDSGSA-N 1 0 382.504 4.241 20 0 GIADRO C[C@H](NC(=O)C(C)(C)Oc1cccc(Cl)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181682361 821941849 /nfs/dbraw/zinc/94/18/49/821941849.db2.gz RZUKSVXFZNGAJX-HOTGVXAUSA-N 1 0 378.944 4.267 20 0 GIADRO c1ccc(-c2nc3c(s2)[C@H]([NH2+][C@@H]2CCN(c4ccccn4)C2)CCC3)cc1 ZINC000181704013 821951409 /nfs/dbraw/zinc/95/14/09/821951409.db2.gz TWMHTDXRZAXASO-QZTJIDSGSA-N 1 0 376.529 4.451 20 0 GIADRO COc1ccccc1[C@H](CC(C)C)[NH2+]CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000181712964 821956320 /nfs/dbraw/zinc/95/63/20/821956320.db2.gz USDNYOFIVRCLMW-RDJZCZTQSA-N 1 0 386.458 4.173 20 0 GIADRO CCc1nn(C)c(CC)c1C[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000181723734 821961832 /nfs/dbraw/zinc/96/18/32/821961832.db2.gz PBVZPVOJWAXHDB-QGZVFWFLSA-N 1 0 392.341 4.311 20 0 GIADRO CCc1nn(C)c(CC)c1C[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000181724123 821961924 /nfs/dbraw/zinc/96/19/24/821961924.db2.gz AUJNWXSXVHPFNN-QGZVFWFLSA-N 1 0 392.341 4.311 20 0 GIADRO CC[C@@H]([NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000181735621 821968297 /nfs/dbraw/zinc/96/82/97/821968297.db2.gz QFTKXRJGXSXQKN-YVEFUNNKSA-N 1 0 386.439 4.155 20 0 GIADRO C[C@@H]1C[C@@H]([N@H+](C)CC2CCN(C(=O)C(C)(C)C)CC2)CCN1Cc1ccccc1 ZINC000181736988 821969323 /nfs/dbraw/zinc/96/93/23/821969323.db2.gz XHRXTFBAWITPRL-OFNKIYASSA-N 1 0 399.623 4.256 20 0 GIADRO CCO[C@H]1C[C@H]([NH2+]CC2CCN(Cc3nc(C)c(C)o3)CC2)C12CCCCC2 ZINC000181740819 821971300 /nfs/dbraw/zinc/97/13/00/821971300.db2.gz BEOBROLPYQCJLS-SFTDATJTSA-N 1 0 389.584 4.221 20 0 GIADRO CCO[C@@H]1C[C@@H]([NH2+]CC2CCN(Cc3nc(C)c(C)o3)CC2)C12CCCCC2 ZINC000181740841 821971493 /nfs/dbraw/zinc/97/14/93/821971493.db2.gz BEOBROLPYQCJLS-NHCUHLMSSA-N 1 0 389.584 4.221 20 0 GIADRO CCCCC[C@H]([NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1)c1ccccc1 ZINC000181745447 821973190 /nfs/dbraw/zinc/97/31/90/821973190.db2.gz GMEIUZRZZMQIKD-SFTDATJTSA-N 1 0 375.534 4.035 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(-n3ccnn3)cc2)cc1OCC ZINC000181747919 821974577 /nfs/dbraw/zinc/97/45/77/821974577.db2.gz OAMRVYFCHWNEAA-SJORKVTESA-N 1 0 380.492 4.477 20 0 GIADRO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cccnc1Oc1cccc(S(C)(=O)=O)c1 ZINC000181749271 821975076 /nfs/dbraw/zinc/97/50/76/821975076.db2.gz JRYOEINZRVZLHE-JXFKEZNVSA-N 1 0 388.533 4.336 20 0 GIADRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1 ZINC000181748718 821975181 /nfs/dbraw/zinc/97/51/81/821975181.db2.gz QSRUPEBURSQBAY-LEWJYISDSA-N 1 0 396.535 4.087 20 0 GIADRO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cccnc1Oc1cccc(S(C)(=O)=O)c1 ZINC000181749288 821975609 /nfs/dbraw/zinc/97/56/09/821975609.db2.gz JRYOEINZRVZLHE-OXQOHEQNSA-N 1 0 388.533 4.336 20 0 GIADRO Cc1cc2cc(C(=O)N3CCC[C@@H]4C[N@H+](C)CC[C@@H]43)oc2c(Br)c1 ZINC000181757337 821978889 /nfs/dbraw/zinc/97/88/89/821978889.db2.gz YHPADACIYKRQPX-CJNGLKHVSA-N 1 0 391.309 4.060 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000181786054 821991275 /nfs/dbraw/zinc/99/12/75/821991275.db2.gz RNRUUJNLJPIINZ-IBGZPJMESA-N 1 0 390.531 4.384 20 0 GIADRO CCC[C@@H]([NH2+]Cc1cnn(CC(C)C)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000181787546 821992735 /nfs/dbraw/zinc/99/27/35/821992735.db2.gz WGTUQXZTUGPLER-JOCHJYFZSA-N 1 0 397.567 4.036 20 0 GIADRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(N2CCCC2)cc1)c1ccc(OC)cc1 ZINC000181806034 822000398 /nfs/dbraw/zinc/00/03/98/822000398.db2.gz MCDJGGUIZYXQFJ-VGSWGCGISA-N 1 0 381.520 4.363 20 0 GIADRO CC(C)Cn1cc(C[NH2+]C[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)cn1 ZINC000181811417 822002696 /nfs/dbraw/zinc/00/26/96/822002696.db2.gz TZSWCRXCJABMQX-YLJYHZDGSA-N 1 0 378.923 4.114 20 0 GIADRO CC[C@H]([NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(OC(F)F)cc1 ZINC000181814729 822003670 /nfs/dbraw/zinc/00/36/70/822003670.db2.gz LJHSMYUFVQHZDE-PXNSSMCTSA-N 1 0 388.458 4.377 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1OCC ZINC000181814990 822004030 /nfs/dbraw/zinc/00/40/30/822004030.db2.gz ZPMXCCXPDAELMS-AZUAARDMSA-N 1 0 396.531 4.183 20 0 GIADRO C[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1)c1nc(-c2ccccc2)no1 ZINC000181846781 822016085 /nfs/dbraw/zinc/01/60/85/822016085.db2.gz WAEOFZMBGARLQV-IRXDYDNUSA-N 1 0 390.487 4.318 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1nc2ccccc2s1)c1cccc(N2CCCC2)c1 ZINC000181868384 822021082 /nfs/dbraw/zinc/02/10/82/822021082.db2.gz AUSMLPQQSJZMLJ-HNNXBMFYSA-N 1 0 380.517 4.186 20 0 GIADRO C[C@H]([NH2+]CCCCN1C(=O)c2ccccc2C1=O)c1cccc(N2CCCC2)c1 ZINC000181874711 822023312 /nfs/dbraw/zinc/02/33/12/822023312.db2.gz PICJJLWFOJYKDI-SFHVURJKSA-N 1 0 391.515 4.014 20 0 GIADRO Cc1cc(C)c(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c(Cl)n1 ZINC000181879862 822024487 /nfs/dbraw/zinc/02/44/87/822024487.db2.gz DBHFAEODDJVJAO-HNNXBMFYSA-N 1 0 377.941 4.055 20 0 GIADRO COc1cccc2cc([C@H](C)[NH2+][C@H]3CCN(C(=O)CCc4ccccc4)C3)oc21 ZINC000181890526 822028454 /nfs/dbraw/zinc/02/84/54/822028454.db2.gz DLUAJFFUKZKPHH-PXNSSMCTSA-N 1 0 392.499 4.326 20 0 GIADRO CC(C)N(CC[NH+](C)C)C(=O)Nc1cc(Br)c(F)cc1Cl ZINC000181894955 822029426 /nfs/dbraw/zinc/02/94/26/822029426.db2.gz GNRXUWOCFHTCEB-UHFFFAOYSA-N 1 0 380.689 4.046 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(NC(=O)OC(C)(C)C)c1)c1ccc(-n2cncn2)cc1 ZINC000181899637 822031097 /nfs/dbraw/zinc/03/10/97/822031097.db2.gz BYGBRLYNLPARIB-INIZCTEOSA-N 1 0 393.491 4.465 20 0 GIADRO CN(C)C(=O)c1ccc(NC(=O)C[NH2+][C@@H](CC2CCCC2)c2ccccc2)cc1 ZINC000181940081 822041087 /nfs/dbraw/zinc/04/10/87/822041087.db2.gz NPXIPXXXDYEOHA-QFIPXVFZSA-N 1 0 393.531 4.238 20 0 GIADRO CCC(CC)[C@H]1C[C@H](NC(=O)NC2CC[NH+](C3CCCCC3)CC2)CCO1 ZINC000181962379 822047278 /nfs/dbraw/zinc/04/72/78/822047278.db2.gz VLMQJHRLZBQXAD-TZIWHRDSSA-N 1 0 379.589 4.067 20 0 GIADRO CCN(Cc1cccs1)C(=O)N[C@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000181983890 822053167 /nfs/dbraw/zinc/05/31/67/822053167.db2.gz MXCKWGPYHKDFRY-LEWJYISDSA-N 1 0 399.560 4.266 20 0 GIADRO Cc1nc(C[NH2+][C@@H](CC(N)=O)C2CCCCC2)oc1-c1ccc(Cl)cc1 ZINC000182006145 822060002 /nfs/dbraw/zinc/06/00/02/822060002.db2.gz NBXKMHSAUJIJIY-KRWDZBQOSA-N 1 0 375.900 4.217 20 0 GIADRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(C)cc1-c1nc(C2CC2)no1 ZINC000182006797 822060098 /nfs/dbraw/zinc/06/00/98/822060098.db2.gz AEBGPNCDFSDGCV-IAGOWNOFSA-N 1 0 395.507 4.013 20 0 GIADRO CCN(CC)C(=O)c1cccc(N[C@@H](C)c2cccc(OCC[NH+](C)C)c2)c1 ZINC000182022248 822065471 /nfs/dbraw/zinc/06/54/71/822065471.db2.gz LEDHKMXXVBWTQG-SFHVURJKSA-N 1 0 383.536 4.282 20 0 GIADRO O=C(Nc1ccc(Cl)c(Br)c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000182023871 822066243 /nfs/dbraw/zinc/06/62/43/822066243.db2.gz AYYRBCDSFOWCKA-LBPRGKRZSA-N 1 0 386.721 4.052 20 0 GIADRO Cc1nn(C)c(C)c1CCC[NH2+]Cc1c(C)nn(Cc2ccccc2Cl)c1C ZINC000182046277 822072372 /nfs/dbraw/zinc/07/23/72/822072372.db2.gz YCEKJXLZYVNBQH-UHFFFAOYSA-N 1 0 399.970 4.274 20 0 GIADRO CCC[C@H]1CN(C(=O)C[C@@H](C)c2c(C)noc2C)CC[N@@H+]1Cc1ccccc1 ZINC000182056209 822076955 /nfs/dbraw/zinc/07/69/55/822076955.db2.gz HDWPACFGHITDCD-UTKZUKDTSA-N 1 0 383.536 4.298 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2sc(-c3ccc(F)c(F)c3)nc2C)C1 ZINC000182060578 822077917 /nfs/dbraw/zinc/07/79/17/822077917.db2.gz RXMHIODJIAVVOZ-CQSZACIVSA-N 1 0 393.503 4.201 20 0 GIADRO CC[C@@H](C)c1ccccc1OCC(=O)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC000182060673 822078219 /nfs/dbraw/zinc/07/82/19/822078219.db2.gz LYQPVEKFXLKSQS-GOSISDBHSA-N 1 0 396.531 4.174 20 0 GIADRO Cc1cccc(COc2ccc([C@H](C)[NH2+]Cc3cc(=O)n4ccccc4n3)cc2)c1 ZINC000182068666 822080529 /nfs/dbraw/zinc/08/05/29/822080529.db2.gz CJHHMIKOFATKDE-IBGZPJMESA-N 1 0 399.494 4.433 20 0 GIADRO O=C(/C=C/c1ccc(Cl)s1)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC000182069226 822080854 /nfs/dbraw/zinc/08/08/54/822080854.db2.gz QLNHFAMVBWJBKO-SOFGYWHQSA-N 1 0 376.909 4.010 20 0 GIADRO COc1cccc2cc([C@@H](C)[NH2+]C[C@H]3CC(=O)N(Cc4ccccc4)C3)oc21 ZINC000182084454 822087115 /nfs/dbraw/zinc/08/71/15/822087115.db2.gz WXVZXGCRIRHINP-SJLPKXTDSA-N 1 0 378.472 4.141 20 0 GIADRO C[S@@](=O)C[C@@H]([NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1)c1ccccc1 ZINC000182103001 822094786 /nfs/dbraw/zinc/09/47/86/822094786.db2.gz HDEMSWRUAURWAT-IQGLISFBSA-N 1 0 396.339 4.479 20 0 GIADRO C[S@](=O)C[C@@H]([NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1)c1ccccc1 ZINC000182103017 822095027 /nfs/dbraw/zinc/09/50/27/822095027.db2.gz HDEMSWRUAURWAT-CJAUYULYSA-N 1 0 396.339 4.479 20 0 GIADRO CN(C)C(=O)CC1CC[NH+](CCSc2ccnc3cc(Cl)ccc32)CC1 ZINC000182161035 822124661 /nfs/dbraw/zinc/12/46/61/822124661.db2.gz FEHZIFNCJDIRMF-UHFFFAOYSA-N 1 0 391.968 4.171 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCCOc2c(Cl)cccc21)c1ccc(S(C)(=O)=O)cc1 ZINC000182179627 822135273 /nfs/dbraw/zinc/13/52/73/822135273.db2.gz WHTAWAUYKBBYQJ-SCLBCKFNSA-N 1 0 379.909 4.308 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCCOc2c(Cl)cccc21)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000182181723 822136644 /nfs/dbraw/zinc/13/66/44/822136644.db2.gz MJXZPBBRQYCJIH-PXAZEXFGSA-N 1 0 397.899 4.447 20 0 GIADRO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCN(C(=O)CCc3ccccc3)C1)CCCO2 ZINC000182186491 822138178 /nfs/dbraw/zinc/13/81/78/822138178.db2.gz HKYOQDOEGLUVCL-IRLDBZIGSA-N 1 0 378.516 4.032 20 0 GIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cccc(Cl)c2[O-])CC1 ZINC000182197573 822142403 /nfs/dbraw/zinc/14/24/03/822142403.db2.gz HLUUVCCNZZLPFG-OAHLLOKOSA-N 1 0 391.918 4.177 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)C[NH2+]C(C)(c2ccccc2)c2ccccc2)c1 ZINC000182200953 822144037 /nfs/dbraw/zinc/14/40/37/822144037.db2.gz JPTUQGKCICXNEC-UHFFFAOYSA-N 1 0 387.483 4.137 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cnn(CCC(F)(F)F)c2)cc1 ZINC000182218616 822153325 /nfs/dbraw/zinc/15/33/25/822153325.db2.gz OZMITEXWXOZDBX-OAHLLOKOSA-N 1 0 394.441 4.462 20 0 GIADRO CC(=O)Nc1ccc([C@H](C)[NH2+]CCNc2cccc(Br)c2)cc1 ZINC000182223707 822154873 /nfs/dbraw/zinc/15/48/73/822154873.db2.gz BDCAPSMAVVYQHW-ZDUSSCGKSA-N 1 0 376.298 4.170 20 0 GIADRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+]Cc1ccsc1 ZINC000182225811 822155853 /nfs/dbraw/zinc/15/58/53/822155853.db2.gz OCDDGZRAQFSQSB-UHFFFAOYSA-N 1 0 398.322 4.051 20 0 GIADRO O=C(c1ccc(Cl)cc1)N1CCC[N@H+](CCCOCc2ccccc2)CC1 ZINC000182261258 822174534 /nfs/dbraw/zinc/17/45/34/822174534.db2.gz LLTJUEQCUXYDDO-UHFFFAOYSA-N 1 0 386.923 4.095 20 0 GIADRO CCOC(=O)c1sc2[nH]c([C@@H](C)[NH2+][C@H](C)c3ccc(C)cc3)nc(=O)c2c1C ZINC000182329874 822204268 /nfs/dbraw/zinc/20/42/68/822204268.db2.gz CKHXNEMROBJMTC-ZIAGYGMSSA-N 1 0 399.516 4.190 20 0 GIADRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c1 ZINC000182351141 822211065 /nfs/dbraw/zinc/21/10/65/822211065.db2.gz WJJXUNJPTIQPNU-NWDGAFQWSA-N 1 0 397.302 4.236 20 0 GIADRO CCOc1ccccc1CCC(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000182354468 822212064 /nfs/dbraw/zinc/21/20/64/822212064.db2.gz NUAJUUMHMIJFKG-UHFFFAOYSA-N 1 0 395.547 4.187 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H]3C[C@]34CCc3ccccc34)cc2)CC1 ZINC000182355499 822213120 /nfs/dbraw/zinc/21/31/20/822213120.db2.gz DBAWNUFLFGPCGU-ZCYQVOJMSA-N 1 0 389.543 4.060 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H]3C[C@@H]3c3c(F)cccc3F)cc2)CC1 ZINC000182359685 822214333 /nfs/dbraw/zinc/21/43/33/822214333.db2.gz NNLQVHURABEVEB-RBUKOAKNSA-N 1 0 399.485 4.237 20 0 GIADRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)c1 ZINC000182359582 822214473 /nfs/dbraw/zinc/21/44/73/822214473.db2.gz LCVIQITZOKVAJP-RYUDHWBXSA-N 1 0 397.302 4.236 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H]3C[C@@H]3c3cc(F)ccc3F)cc2)CC1 ZINC000182362798 822216016 /nfs/dbraw/zinc/21/60/16/822216016.db2.gz GALVGSMBXSNQLV-CTNGQTDRSA-N 1 0 399.485 4.237 20 0 GIADRO C/C(=C\C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1)c1ccc(F)cc1 ZINC000182366139 822216916 /nfs/dbraw/zinc/21/69/16/822216916.db2.gz WLQKLMWXPPFXSP-WUKNDPDISA-N 1 0 381.495 4.398 20 0 GIADRO COc1ccc([C@H](CCO)[NH2+]Cc2cccc(NC(=O)OC(C)(C)C)c2)cc1 ZINC000182400415 822230272 /nfs/dbraw/zinc/23/02/72/822230272.db2.gz RWFVHXYXUDSWMI-FQEVSTJZSA-N 1 0 386.492 4.256 20 0 GIADRO COc1ccc(O)c([C@H](C)N[C@H](C)c2nc(Cc3ccc(Cl)cc3)no2)c1 ZINC000182448998 822246480 /nfs/dbraw/zinc/24/64/80/822246480.db2.gz DPPVYWYDXCLDMC-QWHCGFSZSA-N 1 0 387.867 4.440 20 0 GIADRO CC[C@H]([NH2+]C[C@H](O)COc1ccc(-c2ccccc2)cc1)c1c(C)noc1C ZINC000182453232 822248072 /nfs/dbraw/zinc/24/80/72/822248072.db2.gz MMDVRTIIFPNKLV-UNMCSNQZSA-N 1 0 380.488 4.439 20 0 GIADRO C[C@H]([NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccc(N2CCCC2=O)cc1 ZINC000177940185 822250113 /nfs/dbraw/zinc/25/01/13/822250113.db2.gz DWGQQYJMEPBBSW-UPCLLVRISA-N 1 0 392.499 4.387 20 0 GIADRO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]Cc1ccccc1N1CCOCC1 ZINC000177964203 822260194 /nfs/dbraw/zinc/26/01/94/822260194.db2.gz ZYJQLOXOAJSXSW-SJORKVTESA-N 1 0 381.545 4.415 20 0 GIADRO COc1cc(OC)c([C@H](C)[NH2+]Cc2ccccc2N2CCOCC2)cc1Cl ZINC000177964876 822260814 /nfs/dbraw/zinc/26/08/14/822260814.db2.gz ZFOKBOQFRFCOKY-HNNXBMFYSA-N 1 0 390.911 4.045 20 0 GIADRO O=S(=O)(CC[NH2+][C@H]1CCSc2ccc(F)cc21)c1ccc(Cl)cc1 ZINC000177967813 822261548 /nfs/dbraw/zinc/26/15/48/822261548.db2.gz LMNAISXFYOYWPY-INIZCTEOSA-N 1 0 385.913 4.080 20 0 GIADRO C[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)c2ccsc2S1 ZINC000177968965 822262278 /nfs/dbraw/zinc/26/22/78/822262278.db2.gz PTAPBCFWEGSSSH-XHDPSFHLSA-N 1 0 387.979 4.390 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@@H]2CCSc3c(F)cccc32)ccc1S(C)(=O)=O ZINC000177971720 822263570 /nfs/dbraw/zinc/26/35/70/822263570.db2.gz RPAPJPVSKCUOGI-MLGOLLRUSA-N 1 0 395.521 4.126 20 0 GIADRO CCC[N@H+](Cc1cn2ccsc2n1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000177972741 822264199 /nfs/dbraw/zinc/26/41/99/822264199.db2.gz RAEJRTDDACIDGF-UHFFFAOYSA-N 1 0 378.542 4.007 20 0 GIADRO Fc1cc(C[N@@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c2c(c1)COCO2 ZINC000177974442 822265168 /nfs/dbraw/zinc/26/51/68/822265168.db2.gz CDKGLFGPWUPIQI-CQSZACIVSA-N 1 0 388.508 4.407 20 0 GIADRO O=C1O[C@@H](C[N@@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)CN1c1ccccc1 ZINC000177974813 822265466 /nfs/dbraw/zinc/26/54/66/822265466.db2.gz ISZOEQBFMGRGFN-WMZOPIPTSA-N 1 0 397.544 4.227 20 0 GIADRO CC(=O)c1ccc(NC(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)cc1Cl ZINC000182496614 822267117 /nfs/dbraw/zinc/26/71/17/822267117.db2.gz QZPTZSSGTXMYCT-SFHVURJKSA-N 1 0 389.883 4.403 20 0 GIADRO Cc1nn(C(C)(C)C)cc1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1C ZINC000182496232 822267199 /nfs/dbraw/zinc/26/71/99/822267199.db2.gz APIBEOICSWSZNI-UHFFFAOYSA-N 1 0 386.565 4.056 20 0 GIADRO CC(=O)c1ccc(NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1Cl ZINC000182498717 822269125 /nfs/dbraw/zinc/26/91/25/822269125.db2.gz MDQZTXKYYVBKBD-UHFFFAOYSA-N 1 0 385.895 4.460 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)Nc2cc(Br)c(F)cc2Cl)CC[N@@H+]1C ZINC000177992172 822273262 /nfs/dbraw/zinc/27/32/62/822273262.db2.gz CRGVCYYDHFNEEY-NXEZZACHSA-N 1 0 392.700 4.188 20 0 GIADRO O=C(CCc1cc(F)ccc1Br)NC1CC[NH+](C2CCCC2)CC1 ZINC000182510747 822275099 /nfs/dbraw/zinc/27/50/99/822275099.db2.gz GZYPVPWGQGFJNG-UHFFFAOYSA-N 1 0 397.332 4.044 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cc(C(C)(C)C)nn2Cc2ccccc2)C1 ZINC000178009164 822280148 /nfs/dbraw/zinc/28/01/48/822280148.db2.gz YTRBHECTNAJFMR-LJQANCHMSA-N 1 0 397.567 4.034 20 0 GIADRO C[C@H]([NH2+]CCc1ccc(F)c(Br)c1)c1ccc(-n2cncn2)cc1 ZINC000178009655 822280770 /nfs/dbraw/zinc/28/07/70/822280770.db2.gz WXBCDLFKJRPEEM-ZDUSSCGKSA-N 1 0 389.272 4.062 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1)c1ccc2c(c1)OCCCO2 ZINC000178020371 822285705 /nfs/dbraw/zinc/28/57/05/822285705.db2.gz ZNIDPVACGMAVSD-JKSUJKDBSA-N 1 0 382.460 4.216 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCSc3ccccc32)cc1 ZINC000178027745 822288832 /nfs/dbraw/zinc/28/88/32/822288832.db2.gz IREMVRYWKYKJJQ-KBXCAEBGSA-N 1 0 376.547 4.336 20 0 GIADRO CC(=O)c1ccc(NC(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)cc1Cl ZINC000182536743 822289057 /nfs/dbraw/zinc/28/90/57/822289057.db2.gz HNKOADNPBICFFC-GOSISDBHSA-N 1 0 377.847 4.106 20 0 GIADRO CC(=O)Nc1cccc(C[NH2+][C@H]2CCCOc3ccc(Br)cc32)c1 ZINC000178029168 822289521 /nfs/dbraw/zinc/28/95/21/822289521.db2.gz FFAWXSPSVGHQNQ-SFHVURJKSA-N 1 0 389.293 4.411 20 0 GIADRO CCC[C@H]1C[C@H](C(=O)Nc2cc(Cl)ccc2N2CC[NH+](CC)CC2)CCO1 ZINC000182538003 822290487 /nfs/dbraw/zinc/29/04/87/822290487.db2.gz FEURJBBMIFHBIV-AEFFLSMTSA-N 1 0 393.959 4.016 20 0 GIADRO CC(=O)c1ccc(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1Cl ZINC000182543841 822293889 /nfs/dbraw/zinc/29/38/89/822293889.db2.gz KSFRIXLHVZEVQZ-GOSISDBHSA-N 1 0 389.883 4.484 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cc2Cl)c1 ZINC000182546575 822295526 /nfs/dbraw/zinc/29/55/26/822295526.db2.gz NKHOLJCESACNGJ-LLVKDONJSA-N 1 0 380.275 4.241 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1)c1cccs1 ZINC000182550441 822297083 /nfs/dbraw/zinc/29/70/83/822297083.db2.gz ICTTXYJGZGNKPK-ZDUSSCGKSA-N 1 0 385.514 4.351 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]CCc2csc3ccccc23)c1 ZINC000178046963 822298272 /nfs/dbraw/zinc/29/82/72/822298272.db2.gz LUEBFTHMQUFCPC-HNNXBMFYSA-N 1 0 398.528 4.468 20 0 GIADRO CCN(CC)C(=O)CCC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(Cl)c2)CC1 ZINC000182555264 822299784 /nfs/dbraw/zinc/29/97/84/822299784.db2.gz HKXFSYWITJZNMG-INIZCTEOSA-N 1 0 393.959 4.028 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1cccc(C(F)(F)F)c1)c1ccc(NS(C)(=O)=O)cc1 ZINC000178048995 822300235 /nfs/dbraw/zinc/30/02/35/822300235.db2.gz VNQBWYTZZDWRRQ-CHWSQXEVSA-N 1 0 386.439 4.489 20 0 GIADRO C[C@H](NC(=O)N[C@@H]1CCOc2c(Cl)cccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182557466 822301215 /nfs/dbraw/zinc/30/12/15/822301215.db2.gz FDLFDJUQFAFFLY-QMTMVMCOSA-N 1 0 391.943 4.116 20 0 GIADRO CC[C@H]1CCCCN1C(=O)C[NH2+][C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000182559421 822302349 /nfs/dbraw/zinc/30/23/49/822302349.db2.gz HRORVLKCMXKYSR-GCJKJVERSA-N 1 0 393.531 4.381 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1cccc(NC(=O)c2ccccc2)c1)C(=O)NC1CCCC1 ZINC000182559685 822302544 /nfs/dbraw/zinc/30/25/44/822302544.db2.gz JTXYHKHAQSTZJZ-IRXDYDNUSA-N 1 0 379.504 4.037 20 0 GIADRO Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)NCCCCCCC[NH+](C)C ZINC000182562525 822303598 /nfs/dbraw/zinc/30/35/98/822303598.db2.gz OYBCVWLHGCHQQY-IBGZPJMESA-N 1 0 377.577 4.165 20 0 GIADRO COc1cc(N[C@H]2CCC[N@H+](Cc3nc4ccccc4nc3C)C2)cc(OC)c1 ZINC000178058706 822304369 /nfs/dbraw/zinc/30/43/69/822304369.db2.gz COCGJIAPUQIYCH-KRWDZBQOSA-N 1 0 392.503 4.032 20 0 GIADRO CN(C)C(=O)c1ccc(NC(=O)C[NH2+][C@@H](c2ccc(Cl)cc2)C2CCC2)cc1 ZINC000182567227 822306636 /nfs/dbraw/zinc/30/66/36/822306636.db2.gz RYEBJMPFXZUALZ-OAQYLSRUSA-N 1 0 399.922 4.111 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]C1CCN(C(=O)CC(C)C)CC1 ZINC000178082529 822312144 /nfs/dbraw/zinc/31/21/44/822312144.db2.gz HNFUPUAVYLMZJC-OAHLLOKOSA-N 1 0 386.565 4.201 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)C[NH2+][C@H](c2ccc(Cl)cc2)C2CCC2)cc1 ZINC000182584948 822312537 /nfs/dbraw/zinc/31/25/37/822312537.db2.gz IJJCZPUDHNENSR-NRFANRHFSA-N 1 0 385.895 4.368 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@@H]2CCc3cc(Cl)ccc32)c1 ZINC000178085083 822312963 /nfs/dbraw/zinc/31/29/63/822312963.db2.gz NYSKTHFAOXNXPP-SCLBCKFNSA-N 1 0 388.895 4.351 20 0 GIADRO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCc3cc(Cl)ccc32)c(OC)c1 ZINC000178085299 822313288 /nfs/dbraw/zinc/31/32/88/822313288.db2.gz PRWLQFOLFKGGJL-SCLBCKFNSA-N 1 0 388.895 4.351 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)Nc1ccc(-c2ncco2)cc1 ZINC000182587555 822313688 /nfs/dbraw/zinc/31/36/88/822313688.db2.gz QKCFZOPYEMEKBT-SFHVURJKSA-N 1 0 380.448 4.283 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@@H](C)c2ccc(-n3cccn3)cc2)cc(OC)c1OC ZINC000178088005 822314031 /nfs/dbraw/zinc/31/40/31/822314031.db2.gz PDWSCCZBGOOFTO-HOTGVXAUSA-N 1 0 381.476 4.310 20 0 GIADRO CC[C@H]([NH2+]CC(=O)Nc1cc(OC)c(OC)c(OC)c1)c1cccc(Cl)c1 ZINC000182599002 822317856 /nfs/dbraw/zinc/31/78/56/822317856.db2.gz AYGYMKRVGCIVSO-INIZCTEOSA-N 1 0 392.883 4.045 20 0 GIADRO Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@H](c1ccccc1)N1CCc2sccc2C1 ZINC000178096929 822318024 /nfs/dbraw/zinc/31/80/24/822318024.db2.gz YDLWFITWDKXULK-IIBYNOLFSA-N 1 0 380.561 4.240 20 0 GIADRO COc1ccccc1NC(=O)C[C@@H](C)[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000178103305 822320583 /nfs/dbraw/zinc/32/05/83/822320583.db2.gz DOXRQIKYBWSLKT-MRXNPFEDSA-N 1 0 398.503 4.157 20 0 GIADRO Cc1nc(CN2CCC(C[NH2+][C@H](C)c3ccc4ccccc4n3)CC2)oc1C ZINC000178106219 822322029 /nfs/dbraw/zinc/32/20/29/822322029.db2.gz FXSGTJOLEUJCOJ-QGZVFWFLSA-N 1 0 378.520 4.402 20 0 GIADRO COc1ccc(Cc2nc(C)c([C@H](C)[NH2+]C[C@](C)(O)C(C)C)s2)cc1OC ZINC000178120758 822325506 /nfs/dbraw/zinc/32/55/06/822325506.db2.gz FQTKVHJNMMRAHE-QKKBWIMNSA-N 1 0 392.565 4.117 20 0 GIADRO COCC[NH+]1CCC(N[C@@H](c2ccc(F)cc2)c2ccccc2Cl)CC1 ZINC000178125895 822327171 /nfs/dbraw/zinc/32/71/71/822327171.db2.gz KNVRCEZPQIVRNA-NRFANRHFSA-N 1 0 376.903 4.269 20 0 GIADRO C[C@H]([NH2+]C/C=C/c1ccccc1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000178136790 822329481 /nfs/dbraw/zinc/32/94/81/822329481.db2.gz PRAAWHVSMUAZQG-YXOJNZSOSA-N 1 0 396.512 4.122 20 0 GIADRO C[C@H]([NH2+]CC(=O)N[C@H](c1nccs1)c1ccccc1)c1cc2ccccc2o1 ZINC000182630806 822330939 /nfs/dbraw/zinc/33/09/39/822330939.db2.gz WCUTZFOYYKEYQB-BTYIYWSLSA-N 1 0 391.496 4.446 20 0 GIADRO CCc1nc2ccccc2n1C1CC[NH+](C[C@H](O)CCc2ccccc2)CC1 ZINC000182635201 822332449 /nfs/dbraw/zinc/33/24/49/822332449.db2.gz RZWATVNKOAPNET-OAQYLSRUSA-N 1 0 377.532 4.229 20 0 GIADRO COc1ccc(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cc1OC1CCCC1 ZINC000182634522 822332725 /nfs/dbraw/zinc/33/27/25/822332725.db2.gz KGDNREZAVCRPTQ-IBGZPJMESA-N 1 0 386.536 4.107 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CCc2ccc(OC(F)(F)F)cc2)cc1NC(C)=O ZINC000178149091 822333616 /nfs/dbraw/zinc/33/36/16/822333616.db2.gz OZHKWMPJWCHWMF-CYBMUJFWSA-N 1 0 396.409 4.446 20 0 GIADRO Cc1nc(C)c([C@@H](C)[NH2+]C[C@@H](c2ccc(Cl)cc2)N2CCOCC2)s1 ZINC000178148921 822333626 /nfs/dbraw/zinc/33/36/26/822333626.db2.gz AEWUTAHCGFDXOW-ACJLOTCBSA-N 1 0 379.957 4.137 20 0 GIADRO C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccc(OC(F)(F)F)cc1 ZINC000178149176 822333765 /nfs/dbraw/zinc/33/37/65/822333765.db2.gz SNSVSNKTRBBPPA-JXFKEZNVSA-N 1 0 393.453 4.023 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)N[C@H](C)[C@H]2COc3ccccc32)CC1 ZINC000182648557 822338195 /nfs/dbraw/zinc/33/81/95/822338195.db2.gz XPDLLEVUXTYBFR-WIYYLYMNSA-N 1 0 387.568 4.095 20 0 GIADRO CC[C@@H]([NH2+][C@H](C)c1cc(F)ccc1OC)c1ccccc1OCC(=O)N(C)C ZINC000178187336 822346646 /nfs/dbraw/zinc/34/66/46/822346646.db2.gz XJCIGOQRGWDCHL-DNVCBOLYSA-N 1 0 388.483 4.103 20 0 GIADRO COc1cc([C@H](C)[NH2+]C[C@@H](c2ccccc2Cl)N(C)C)cc(OC)c1OC ZINC000178188247 822347010 /nfs/dbraw/zinc/34/70/10/822347010.db2.gz SKDSWMCGNPRUKB-KSSFIOAISA-N 1 0 392.927 4.319 20 0 GIADRO CC[C@H](C)[N@H+](CCCn1ccnc1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000182673259 822347275 /nfs/dbraw/zinc/34/72/75/822347275.db2.gz ZCSATKJNNVIBCG-HNNXBMFYSA-N 1 0 382.430 4.031 20 0 GIADRO COc1ccccc1-c1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3ncccn3)C2)cc1 ZINC000178191725 822348372 /nfs/dbraw/zinc/34/83/72/822348372.db2.gz PDXDBUHWQOZVKT-WIYYLYMNSA-N 1 0 388.515 4.472 20 0 GIADRO C[C@@H](NC(=O)NC[C@@H](C)c1ccc(F)cc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182680579 822349921 /nfs/dbraw/zinc/34/99/21/822349921.db2.gz TWJGAEKTZZGOGA-BZUAXINKSA-N 1 0 379.495 4.021 20 0 GIADRO O=C(CC[NH2+][C@@H]1CCCc2nc(-c3ccccc3F)sc21)N1CCCCC1 ZINC000178200457 822350172 /nfs/dbraw/zinc/35/01/72/822350172.db2.gz OGKDHIDMSVKAIT-QGZVFWFLSA-N 1 0 387.524 4.319 20 0 GIADRO C[C@@H](CCNC(=O)N1CCC[C@H]1c1nc2ccccc2s1)[NH+]1CCCCC1 ZINC000182688614 822352234 /nfs/dbraw/zinc/35/22/34/822352234.db2.gz CVXAHABKDSYEMR-WMZOPIPTSA-N 1 0 386.565 4.407 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)Nc2ccc(-c3ncon3)cc2)CC1 ZINC000178219041 822354979 /nfs/dbraw/zinc/35/49/79/822354979.db2.gz BACLSTGYCWGABR-QGZVFWFLSA-N 1 0 397.523 4.245 20 0 GIADRO C[C@H](CN(C)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1)c1nccs1 ZINC000182701309 822355188 /nfs/dbraw/zinc/35/51/88/822355188.db2.gz RHFVLRFDCDTCOL-IAGOWNOFSA-N 1 0 386.565 4.114 20 0 GIADRO CC(C)c1nc(C(=O)Nc2ccc([C@H](C)[NH3+])cc2)nn1-c1ccccc1Cl ZINC000178228805 822356443 /nfs/dbraw/zinc/35/64/43/822356443.db2.gz KGDSJIXFHFXHOI-ZDUSSCGKSA-N 1 0 383.883 4.316 20 0 GIADRO C[C@@H](NC(=O)N[C@@H](C)c1cccc(N2CCCC2)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182720439 822357630 /nfs/dbraw/zinc/35/76/30/822357630.db2.gz CYYDNXPWNNHSTC-QKNQBKEWSA-N 1 0 398.595 4.300 20 0 GIADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]Cc1ccc(Cl)nc1 ZINC000178246989 822358138 /nfs/dbraw/zinc/35/81/38/822358138.db2.gz ZBRQWNYFGJFUCW-NSHDSACASA-N 1 0 382.689 4.004 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@@H]1Cc1ccccc1 ZINC000045029682 822358203 /nfs/dbraw/zinc/35/82/03/822358203.db2.gz VZEGHFYZEYLGEW-HSZRJFAPSA-N 1 0 377.532 4.068 20 0 GIADRO COc1ccc(C[N@@H+]2CCCN(C(=O)CCCc3ccc(C)cc3)CC2)cc1 ZINC000045033972 822358583 /nfs/dbraw/zinc/35/85/83/822358583.db2.gz XXUZBWWAKXNNIV-UHFFFAOYSA-N 1 0 380.532 4.061 20 0 GIADRO CCC(C)(C)OCC[NH2+][C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000453407621 822358692 /nfs/dbraw/zinc/35/86/92/822358692.db2.gz MFTBSZYJEWSYTQ-FQEVSTJZSA-N 1 0 393.524 4.113 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCO[C@H](c2nccn2C)C1)C(c1ccccc1)c1ccccc1 ZINC000453411130 822358835 /nfs/dbraw/zinc/35/88/35/822358835.db2.gz XHWROBSOHFMUJX-BWAGFHJFSA-N 1 0 375.516 4.450 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)cc1OCC ZINC000178256303 822359517 /nfs/dbraw/zinc/35/95/17/822359517.db2.gz CNGZZGGNCMFKCN-DLBZAZTESA-N 1 0 380.492 4.477 20 0 GIADRO CC[C@@H]([NH2+][C@H](C)c1sc(C)nc1C)c1ccccc1OCC(=O)N(C)C ZINC000178259346 822359961 /nfs/dbraw/zinc/35/99/61/822359961.db2.gz BUPRLJRQSXQWOX-RHSMWYFYSA-N 1 0 375.538 4.029 20 0 GIADRO C[C@]1(C[NH2+][C@@H](c2ccc(F)cc2)c2ccc(C(F)(F)F)cc2)CCC(=O)N1 ZINC000453420402 822360330 /nfs/dbraw/zinc/36/03/30/822360330.db2.gz LNQFANMBEFAHOW-RTBURBONSA-N 1 0 380.385 4.192 20 0 GIADRO COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@H](C)c1sc(C)nc1C ZINC000178265370 822360912 /nfs/dbraw/zinc/36/09/12/822360912.db2.gz XRWHRIXXRZQQQW-LLVKDONJSA-N 1 0 381.929 4.410 20 0 GIADRO Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]Cc1ccc(Cn3cncn3)cc1)CCCO2 ZINC000178272639 822361748 /nfs/dbraw/zinc/36/17/48/822361748.db2.gz QPJNVVRCVZPJIL-FQEVSTJZSA-N 1 0 382.895 4.292 20 0 GIADRO CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC000453428631 822361840 /nfs/dbraw/zinc/36/18/40/822361840.db2.gz ACSFDGUJROKKSV-UHFFFAOYSA-N 1 0 393.988 4.164 20 0 GIADRO Cc1cc(Cl)c2c(c1)[C@H]([NH2+]Cc1ccccc1N1CCOCC1)CCCO2 ZINC000178275112 822362197 /nfs/dbraw/zinc/36/21/97/822362197.db2.gz NGSYKHWPCMDMMA-HXUWFJFHSA-N 1 0 386.923 4.489 20 0 GIADRO C[C@@H]([NH2+]C[C@H]1CCOC(C)(C)C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000453439002 822363207 /nfs/dbraw/zinc/36/32/07/822363207.db2.gz VQBAIYDMOHHACX-SJORKVTESA-N 1 0 379.566 4.259 20 0 GIADRO Cc1cc(Br)cc2c1[C@H]([NH2+][C@@H](C)C(=O)Nc1cccnc1C)CC2 ZINC000453444231 822363977 /nfs/dbraw/zinc/36/39/77/822363977.db2.gz OGBNISVLWRYHFZ-SUMWQHHRSA-N 1 0 388.309 4.065 20 0 GIADRO C[C@H](NC(=O)NCc1ccc(C[NH+](C)C)cc1)c1ccc(Br)cc1 ZINC000045129717 822364498 /nfs/dbraw/zinc/36/44/98/822364498.db2.gz VFLWXMTVCZLMSS-AWEZNQCLSA-N 1 0 390.325 4.071 20 0 GIADRO C[C@H](NC(=O)N[C@@H](C[C@@H]1CCOC1)c1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182768638 822364724 /nfs/dbraw/zinc/36/47/24/822364724.db2.gz RZHUIYHMUHOWSL-YDWJEQILSA-N 1 0 399.579 4.107 20 0 GIADRO C[C@@H](NC(=O)N[C@@H](C[C@@H]1CCOC1)c1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182768658 822364774 /nfs/dbraw/zinc/36/47/74/822364774.db2.gz RZHUIYHMUHOWSL-SQVLJLFZSA-N 1 0 399.579 4.107 20 0 GIADRO Cc1nc(-c2ccc(CNC(=O)NCCC[N@@H+](C)Cc3ccccc3)o2)cs1 ZINC000045131110 822364807 /nfs/dbraw/zinc/36/48/07/822364807.db2.gz ZEVLRCWRAPNBCY-UHFFFAOYSA-N 1 0 398.532 4.033 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(Oc2ccccc2)nc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000178299716 822365040 /nfs/dbraw/zinc/36/50/40/822365040.db2.gz CXPHMYWVSFZQKF-MRXNPFEDSA-N 1 0 397.500 4.096 20 0 GIADRO Cc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@@H]2C[C@@H]4CCCCN4C2=O)CCC3)cc1 ZINC000453450330 822365304 /nfs/dbraw/zinc/36/53/04/822365304.db2.gz QPQBYVGOCXHNRU-YQVWRLOYSA-N 1 0 381.545 4.239 20 0 GIADRO CC[C@@H](NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1nc(C(F)(F)F)cs1 ZINC000178309617 822366075 /nfs/dbraw/zinc/36/60/75/822366075.db2.gz YKKIZVUGZHXEEX-TZMCWYRMSA-N 1 0 389.487 4.384 20 0 GIADRO CCN(c1nnc([C@@H]2CCCCO2)n1CC)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000453455313 822366955 /nfs/dbraw/zinc/36/69/55/822366955.db2.gz SRQZQRMPQTXGHX-TYPHKJRUSA-N 1 0 397.567 4.201 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCC1)N[C@H](c1ccco1)c1ccccc1 ZINC000045155745 822366939 /nfs/dbraw/zinc/36/69/39/822366939.db2.gz OYRGELJWNVNFMD-QHCPKHFHSA-N 1 0 389.499 4.464 20 0 GIADRO COCCN1CCC([NH2+][C@@H](c2ccccc2)c2ccc(OC(F)F)cc2)CC1 ZINC000178327300 822367646 /nfs/dbraw/zinc/36/76/46/822367646.db2.gz LHEJRJXTFGMPGM-NRFANRHFSA-N 1 0 390.474 4.078 20 0 GIADRO Cc1cc([C@@H]2CCCN2C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)no1 ZINC000045186906 822368665 /nfs/dbraw/zinc/36/86/65/822368665.db2.gz CXFXPIZMZHQQQD-NRFANRHFSA-N 1 0 382.508 4.016 20 0 GIADRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)s2)cc1 ZINC000178339602 822368676 /nfs/dbraw/zinc/36/86/76/822368676.db2.gz DUNTWPTYLHFWQN-CVEARBPZSA-N 1 0 380.579 4.499 20 0 GIADRO Cc1ccc(CN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C2CC2)o1 ZINC000045186953 822368733 /nfs/dbraw/zinc/36/87/33/822368733.db2.gz KQAJKNDJEXYXRK-UHFFFAOYSA-N 1 0 381.520 4.448 20 0 GIADRO CCC[C@H]1CN(C(=O)Nc2ccc(NC(C)=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000182796095 822368754 /nfs/dbraw/zinc/36/87/54/822368754.db2.gz IUAARCLRVJENTQ-QFIPXVFZSA-N 1 0 394.519 4.163 20 0 GIADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)c2sccc2C)cc1 ZINC000178340011 822368963 /nfs/dbraw/zinc/36/89/63/822368963.db2.gz BJDKMUIKJYDGJB-HOTGVXAUSA-N 1 0 380.579 4.499 20 0 GIADRO COc1ccc(OC)c([C@H](C)[NH2+][C@H](C)c2ccc(OC)c(Cn3cccn3)c2)c1 ZINC000178357412 822370846 /nfs/dbraw/zinc/37/08/46/822370846.db2.gz OLPWVPCZRNCWEP-SJORKVTESA-N 1 0 395.503 4.369 20 0 GIADRO CCO[C@@H](C)c1nc(CN2CC[NH+](CCCc3cccc(F)c3)CC2)cs1 ZINC000182812918 822371638 /nfs/dbraw/zinc/37/16/38/822371638.db2.gz QYRRPNYTJXHMKQ-KRWDZBQOSA-N 1 0 391.556 4.130 20 0 GIADRO COCC[C@@](C)(O)C[NH2+][C@@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21 ZINC000178380919 822373263 /nfs/dbraw/zinc/37/32/63/822373263.db2.gz PTMCJQFTBQFNGQ-DNVCBOLYSA-N 1 0 380.941 4.218 20 0 GIADRO CC(C)n1ncc2cc(C[N@@H+]3CCC[C@H](n4ccc(C(F)(F)F)n4)C3)cnc21 ZINC000182823982 822373296 /nfs/dbraw/zinc/37/32/96/822373296.db2.gz NBAWDOXKDKCBPT-INIZCTEOSA-N 1 0 392.429 4.065 20 0 GIADRO CC(C)n1ncc2cc(C[N@@H+]3CCC[C@@H](n4ccc(C(F)(F)F)n4)C3)cnc21 ZINC000182824007 822373380 /nfs/dbraw/zinc/37/33/80/822373380.db2.gz NBAWDOXKDKCBPT-MRXNPFEDSA-N 1 0 392.429 4.065 20 0 GIADRO C[C@@H](CC(=O)NCc1ccc(OCc2cccc(F)c2)cc1)C1CC[NH2+]CC1 ZINC000178389847 822374336 /nfs/dbraw/zinc/37/43/36/822374336.db2.gz ULNNIESKCYBZJM-KRWDZBQOSA-N 1 0 384.495 4.047 20 0 GIADRO CCOc1cc2c(cc1C[NH2+][C@@H](C)c1ccc3c(c1)CCC(=O)N3)O[C@@H](C)C2 ZINC000178394442 822374992 /nfs/dbraw/zinc/37/49/92/822374992.db2.gz SWEKBEVCEAHHGD-GJZGRUSLSA-N 1 0 380.488 4.144 20 0 GIADRO C[C@@H](NC(=O)Nc1cccc(Cl)c1N(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182834020 822375220 /nfs/dbraw/zinc/37/52/20/822375220.db2.gz RETAOGKMOVIBDF-HUUCEWRRSA-N 1 0 378.948 4.181 20 0 GIADRO C[C@H](NC(=O)Nc1cccc(OCC(F)(F)F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182845799 822377646 /nfs/dbraw/zinc/37/76/46/822377646.db2.gz NDCMLEACQFOBMJ-LSDHHAIUSA-N 1 0 399.457 4.402 20 0 GIADRO C[C@H](NC(=O)NC(C)(C)c1ccc(F)c(F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182847682 822378073 /nfs/dbraw/zinc/37/80/73/822378073.db2.gz TURWMVOWFIAKCQ-GJZGRUSLSA-N 1 0 379.495 4.152 20 0 GIADRO C[C@H]([NH2+]CCc1ccc(Br)cc1)c1ccc(N2CCOC2=O)cc1 ZINC000178424642 822378087 /nfs/dbraw/zinc/37/80/87/822378087.db2.gz NMZGBIFIAKBFPC-AWEZNQCLSA-N 1 0 389.293 4.299 20 0 GIADRO O=C(Nc1ccc(OC(F)F)c(Cl)c1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000178430264 822378499 /nfs/dbraw/zinc/37/84/99/822378499.db2.gz PMTADHMGVTXNDB-WBMJQRKESA-N 1 0 399.869 4.422 20 0 GIADRO C[C@H](NC(=O)N(C)Cc1ccccc1C(F)(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182849625 822378504 /nfs/dbraw/zinc/37/85/04/822378504.db2.gz MSBGOZMJZDPNMC-HOTGVXAUSA-N 1 0 397.485 4.500 20 0 GIADRO CSc1cccc(NC(=O)C[NH2+][C@H](C)c2cnn(-c3ccc(F)cc3)c2C)c1 ZINC000182851128 822378931 /nfs/dbraw/zinc/37/89/31/822378931.db2.gz IDULDUGJHAYPCK-CQSZACIVSA-N 1 0 398.507 4.331 20 0 GIADRO C[C@@H](NC(=O)c1c[nH]nc1-c1cccc(Cl)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182851174 822378939 /nfs/dbraw/zinc/37/89/39/822378939.db2.gz SFFCRGAFWCFEKJ-ZBFHGGJFSA-N 1 0 386.927 4.113 20 0 GIADRO C[C@@H](NC(=O)Nc1ccc(OCC(F)(F)F)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182855763 822379838 /nfs/dbraw/zinc/37/98/38/822379838.db2.gz ABVDFDVPUMTMDV-CABCVRRESA-N 1 0 399.457 4.402 20 0 GIADRO C[C@@H](NC(=O)Nc1ccccc1OC(F)(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182867019 822382122 /nfs/dbraw/zinc/38/21/22/822382122.db2.gz VRZKBQSKIPDNJZ-KGLIPLIRSA-N 1 0 385.430 4.360 20 0 GIADRO C[C@H](NC(=O)N(C)CCc1ccc(Cl)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182867832 822382292 /nfs/dbraw/zinc/38/22/92/822382292.db2.gz YOYHYXOZCARNJN-FUHWJXTLSA-N 1 0 377.960 4.177 20 0 GIADRO C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CCc1cscn1 ZINC000178470637 822382651 /nfs/dbraw/zinc/38/26/51/822382651.db2.gz RWFYBJNINHHBQG-JTQLQIEISA-N 1 0 391.846 4.365 20 0 GIADRO COc1ccc(Cl)cc1[C@@H](C)[NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000178488738 822384663 /nfs/dbraw/zinc/38/46/63/822384663.db2.gz BEWSBYVMZYLHJT-ZIAGYGMSSA-N 1 0 396.940 4.011 20 0 GIADRO C[C@H]1C[C@@H](c2cccnc2)N(C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)C1 ZINC000182879166 822384799 /nfs/dbraw/zinc/38/47/99/822384799.db2.gz PFIUDUGMQSLWGW-AVRDEDQJSA-N 1 0 392.547 4.011 20 0 GIADRO Cc1cc(Br)c(C[NH+]2CCC(C(=O)N3CCC(C)CC3)CC2)s1 ZINC000453566981 822385334 /nfs/dbraw/zinc/38/53/34/822385334.db2.gz UBRVHOILAMSLHT-UHFFFAOYSA-N 1 0 399.398 4.290 20 0 GIADRO Cc1cc(Br)c(C[NH2+][C@H]2CCN(C(=O)Nc3ccccc3)C2)s1 ZINC000453568692 822385588 /nfs/dbraw/zinc/38/55/88/822385588.db2.gz AQKQPJFPPWPUIQ-AWEZNQCLSA-N 1 0 394.338 4.215 20 0 GIADRO Cc1cc(Br)c(C[NH2+]Cc2cc(C)nc(N3CCCC3)c2)s1 ZINC000453569520 822385715 /nfs/dbraw/zinc/38/57/15/822385715.db2.gz BRHVBYZGTZYKAI-UHFFFAOYSA-N 1 0 380.355 4.412 20 0 GIADRO CC1(C)OCc2cc(C[NH+]3CCC4(CC3)OCCc3ccccc34)ccc2O1 ZINC000453571198 822386024 /nfs/dbraw/zinc/38/60/24/822386024.db2.gz BFNOJVIENNHLGY-UHFFFAOYSA-N 1 0 379.500 4.396 20 0 GIADRO Cc1cc(Br)c(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)s1 ZINC000453573953 822386377 /nfs/dbraw/zinc/38/63/77/822386377.db2.gz JFFGZBZOTXNCBF-OAHLLOKOSA-N 1 0 388.371 4.369 20 0 GIADRO Cc1cc(Br)c(C[NH2+]CC2CCN(CC(F)(F)F)CC2)s1 ZINC000453579323 822387517 /nfs/dbraw/zinc/38/75/17/822387517.db2.gz BMMQSZQBDJPRQP-UHFFFAOYSA-N 1 0 385.293 4.183 20 0 GIADRO Cn1cc(C[NH+]2CCC3(CC2)OCCc2ccccc23)c(-c2ccc(F)cc2)n1 ZINC000453579710 822387720 /nfs/dbraw/zinc/38/77/20/822387720.db2.gz RQTUVYUJWDFMNW-UHFFFAOYSA-N 1 0 391.490 4.290 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CCCc2nnc3n2CCCCC3)c2ccccc12 ZINC000178525395 822387826 /nfs/dbraw/zinc/38/78/26/822387826.db2.gz HQYQUSOWYRZXRM-KRWDZBQOSA-N 1 0 378.520 4.450 20 0 GIADRO CCOCCOc1ccc(Cl)cc1NCc1cn(-c2cc[nH+]cc2)nc1C ZINC000453580651 822388005 /nfs/dbraw/zinc/38/80/05/822388005.db2.gz KEPPSZVIRMXHPP-UHFFFAOYSA-N 1 0 386.883 4.257 20 0 GIADRO Cc1ccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c(C)n1 ZINC000178533415 822388723 /nfs/dbraw/zinc/38/87/23/822388723.db2.gz QBJSRLJSMDSYLM-IFMALSPDSA-N 1 0 378.520 4.217 20 0 GIADRO Cc1cc(Br)c(CN2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)s1 ZINC000453590148 822389636 /nfs/dbraw/zinc/38/96/36/822389636.db2.gz GQJHWHWHNKQTEH-INIZCTEOSA-N 1 0 394.382 4.168 20 0 GIADRO C[C@H](NC(=O)Nc1ccc(OC(F)F)c(F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182906469 822390077 /nfs/dbraw/zinc/39/00/77/822390077.db2.gz CDQZQEUIHCZDJU-STQMWFEESA-N 1 0 385.430 4.202 20 0 GIADRO O=C(Nc1ccc(Cl)nc1)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000178545222 822390411 /nfs/dbraw/zinc/39/04/11/822390411.db2.gz RRRWRYZZOCCFTN-MJGOQNOKSA-N 1 0 384.911 4.253 20 0 GIADRO C[C@H](NC(=O)Nc1ccccc1Br)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182908643 822390567 /nfs/dbraw/zinc/39/05/67/822390567.db2.gz OLIADJXOOROEIC-KBPBESRZSA-N 1 0 380.330 4.224 20 0 GIADRO CC(C)[N@@H+]1CCc2nc(CN[C@H](c3ccccc3)C3(CO)CCCC3)sc2C1 ZINC000453597029 822390805 /nfs/dbraw/zinc/39/08/05/822390805.db2.gz BCYYQKGJHJBCFQ-JOCHJYFZSA-N 1 0 399.604 4.293 20 0 GIADRO C[C@@H](NC(=O)N1CCc2c(Cl)cccc2C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182910150 822390901 /nfs/dbraw/zinc/39/09/01/822390901.db2.gz FPAKOGSHRVSJDN-HZPDHXFCSA-N 1 0 375.944 4.061 20 0 GIADRO C[C@@H](NC(=O)N1CC=C(c2ccc(F)cc2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182910969 822391054 /nfs/dbraw/zinc/39/10/54/822391054.db2.gz DENWLTNJRUVUPL-YLJYHZDGSA-N 1 0 385.527 4.277 20 0 GIADRO COCCC[C@H]([NH2+]Cc1ccc(CO)c(F)c1)c1ccc(Br)cc1 ZINC000178562803 822391996 /nfs/dbraw/zinc/39/19/96/822391996.db2.gz HASCWAYCNJETGP-IBGZPJMESA-N 1 0 396.300 4.338 20 0 GIADRO Cc1cc(C)cc([C@H](C)[NH2+]CC(=O)Nc2cc3c(cc2Cl)OCCCO3)c1 ZINC000182919473 822392808 /nfs/dbraw/zinc/39/28/08/822392808.db2.gz AQRVXRSASXEIAJ-HNNXBMFYSA-N 1 0 388.895 4.407 20 0 GIADRO C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+][C@@H](C)C(=O)Nc1cccnc1C ZINC000453611976 822393027 /nfs/dbraw/zinc/39/30/27/822393027.db2.gz MMEJCLIGMVHQDW-VOMSXAGXSA-N 1 0 377.410 4.429 20 0 GIADRO C[C@H](NC(=O)N(C)CCOc1cccc(Cl)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182923045 822393421 /nfs/dbraw/zinc/39/34/21/822393421.db2.gz MOVXYUHVOXGNJS-DLBZAZTESA-N 1 0 393.959 4.013 20 0 GIADRO C[C@@H](NC(=O)N(C)Cc1ccc(OC(F)F)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182927164 822394446 /nfs/dbraw/zinc/39/44/46/822394446.db2.gz LSWLGKOIQRLNCL-WBVHZDCISA-N 1 0 395.494 4.082 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CCSc2ccc(F)cc21)c1ccsc1 ZINC000045541310 822394754 /nfs/dbraw/zinc/39/47/54/822394754.db2.gz JVRAOYRYCRUGCX-CVEARBPZSA-N 1 0 379.526 4.026 20 0 GIADRO CC[C@H](c1ccccc1)N(CC)C(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000453639217 822396915 /nfs/dbraw/zinc/39/69/15/822396915.db2.gz OGDLZQVBIPNDHC-FGZHOGPDSA-N 1 0 393.531 4.174 20 0 GIADRO CC(C)[C@@H](c1ccccc1)N(C)C(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000453639997 822397098 /nfs/dbraw/zinc/39/70/98/822397098.db2.gz CZIGGUQEVRYYKB-YADHBBJMSA-N 1 0 393.531 4.030 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)COc1cccc(C(F)(F)F)c1)c1ccc2ccccc2n1 ZINC000178621434 822397085 /nfs/dbraw/zinc/39/70/85/822397085.db2.gz OQYBGLPACFYQHC-WMLDXEAASA-N 1 0 390.405 4.344 20 0 GIADRO Cc1cccc(NC2CCN(C(=O)N[C@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)CC2)c1 ZINC000182947224 822398112 /nfs/dbraw/zinc/39/81/12/822398112.db2.gz FBOVRLUSFRYRKO-UXHICEINSA-N 1 0 398.595 4.234 20 0 GIADRO CCOc1cc(C[NH2+][C@H](C)c2cc(C)cc(C)c2)nc2nc(C(F)(F)F)nn21 ZINC000182948570 822398342 /nfs/dbraw/zinc/39/83/42/822398342.db2.gz FHZVFUSCTWMXPN-CYBMUJFWSA-N 1 0 393.413 4.009 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CCS(=O)(=O)c1ccccc1 ZINC000178637707 822398485 /nfs/dbraw/zinc/39/84/85/822398485.db2.gz VCWPXGPOSRAYQO-HNNXBMFYSA-N 1 0 386.542 4.243 20 0 GIADRO Cc1cc(C)cc([C@@H](C)[NH2+]CC(=O)N[C@H](c2nccs2)c2ccccc2)c1 ZINC000182949842 822398554 /nfs/dbraw/zinc/39/85/54/822398554.db2.gz FJOASZLRHYEXDB-UTKZUKDTSA-N 1 0 379.529 4.316 20 0 GIADRO Cc1c2cc(F)ccc2oc1C[NH2+][C@@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000178641927 822398981 /nfs/dbraw/zinc/39/89/81/822398981.db2.gz QPAULANMTBDUIH-ZDUSSCGKSA-N 1 0 376.453 4.103 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)NCc2cccc(COCC(F)(F)F)c2)c1 ZINC000178692800 822403450 /nfs/dbraw/zinc/40/34/50/822403450.db2.gz CZXNIBBVINYGCV-UHFFFAOYSA-N 1 0 395.425 4.149 20 0 GIADRO COCCC[C@H]([NH2+]C[C@@H](C)Cn1ccnc1C)c1ccc(Br)cc1 ZINC000178699695 822403833 /nfs/dbraw/zinc/40/38/33/822403833.db2.gz ODDURQIXGAQDLJ-BEFAXECRSA-N 1 0 394.357 4.348 20 0 GIADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N(C)[C@@H](C)c2nc3ccccc3s2)C1 ZINC000178733770 822406165 /nfs/dbraw/zinc/40/61/65/822406165.db2.gz CJMBCDXMJVPCNO-IRXDYDNUSA-N 1 0 388.581 4.367 20 0 GIADRO Cc1ccc(NC(=O)NC2CC[NH+](CC3CCCC3)CC2)cc1-c1ncco1 ZINC000178740513 822406361 /nfs/dbraw/zinc/40/63/61/822406361.db2.gz DNUNENKUUXNMPZ-UHFFFAOYSA-N 1 0 382.508 4.426 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(-n2cncn2)cc1)c1ccc(F)cc1Br ZINC000178742326 822406560 /nfs/dbraw/zinc/40/65/60/822406560.db2.gz UJSLXIHVOGPKTI-GFCCVEGCSA-N 1 0 375.245 4.020 20 0 GIADRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-n3cncn3)cc2)c2cccc(Br)c21 ZINC000178743162 822406657 /nfs/dbraw/zinc/40/66/57/822406657.db2.gz UNUWXTYVOJDFJK-FZKQIMNGSA-N 1 0 383.293 4.368 20 0 GIADRO Brc1ccc2c(c1)OCCC[C@H]2[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000178743346 822406781 /nfs/dbraw/zinc/40/67/81/822406781.db2.gz WABDSNDFKBGNQW-GOSISDBHSA-N 1 0 399.292 4.033 20 0 GIADRO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@@H]1CC(C)(C)c2ccccc21 ZINC000178747061 822406973 /nfs/dbraw/zinc/40/69/73/822406973.db2.gz XOOPIOHRERUOHC-OAQYLSRUSA-N 1 0 386.561 4.027 20 0 GIADRO O[C@@H](C[NH2+]C1(c2ccc(F)cc2)CCOCC1)Cc1ccccc1C(F)(F)F ZINC000178763407 822408163 /nfs/dbraw/zinc/40/81/63/822408163.db2.gz FNDAOGLJOUEEKD-GOSISDBHSA-N 1 0 397.412 4.043 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)Nc2ccc(F)c(F)c2F)CC1 ZINC000045758470 822410986 /nfs/dbraw/zinc/41/09/86/822410986.db2.gz XSPCEDGUGIGXMV-UHFFFAOYSA-N 1 0 377.410 4.198 20 0 GIADRO Cc1cc(C)c2c(c1)[C@@H](Nc1cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c1)CCCO2 ZINC000183013777 822411484 /nfs/dbraw/zinc/41/14/84/822411484.db2.gz BXLYQMQDGLEFTE-FCHUYYIVSA-N 1 0 393.531 4.079 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(N2CCCC2=O)c1)c1ccc(Cl)s1 ZINC000183013887 822411596 /nfs/dbraw/zinc/41/15/96/822411596.db2.gz ISUSZJHAQOTFLK-OLZOCXBDSA-N 1 0 391.924 4.206 20 0 GIADRO C[N@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)Cc1ccc([S@](C)=O)cc1 ZINC000178805033 822412225 /nfs/dbraw/zinc/41/22/25/822412225.db2.gz ACTWIMJURGFIFA-VWLOTQADSA-N 1 0 399.343 4.191 20 0 GIADRO C[C@@H](c1ccccc1)N(C)C(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000045785818 822413518 /nfs/dbraw/zinc/41/35/18/822413518.db2.gz WLPICPOKXXSBQK-AQNXPRMDSA-N 1 0 395.547 4.198 20 0 GIADRO Cc1cc([C@H]2CCCN2C(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)no1 ZINC000045789291 822414001 /nfs/dbraw/zinc/41/40/01/822414001.db2.gz AWEPZPPMAMWCRE-HTAPYJJXSA-N 1 0 396.535 4.262 20 0 GIADRO C[C@@H]([NH3+])C1CCN(C(=O)Cc2cccc(OCc3ccc(Cl)cc3)c2)CC1 ZINC000178825817 822414343 /nfs/dbraw/zinc/41/43/43/822414343.db2.gz HMMKFEWHTOTPEB-MRXNPFEDSA-N 1 0 386.923 4.047 20 0 GIADRO CCc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000045813278 822415886 /nfs/dbraw/zinc/41/58/86/822415886.db2.gz SNUYXAVQKCXZJW-HOTGVXAUSA-N 1 0 379.504 4.275 20 0 GIADRO C[C@@H]([NH3+])C1CCN(C(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)CC1 ZINC000178855982 822416608 /nfs/dbraw/zinc/41/66/08/822416608.db2.gz AAUMJKSCEZJHHU-LLVKDONJSA-N 1 0 383.439 4.028 20 0 GIADRO CC1CC[NH+]([C@H](CNC(=O)CCc2nc3ccccc3[nH]2)c2cccs2)CC1 ZINC000045820177 822416714 /nfs/dbraw/zinc/41/67/14/822416714.db2.gz LMYNSYZWOAAWDS-LJQANCHMSA-N 1 0 396.560 4.146 20 0 GIADRO CNC(=O)C1CC[NH+]([C@@H](C)c2ncc(-c3ccc(Cl)cc3Cl)o2)CC1 ZINC000178885300 822419016 /nfs/dbraw/zinc/41/90/16/822419016.db2.gz JQJDTVYXXLCBBN-NSHDSACASA-N 1 0 382.291 4.167 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)N1CCCC[C@@H]1c1nc[nH]n1)C1CCCCC1 ZINC000183063190 822419184 /nfs/dbraw/zinc/41/91/84/822419184.db2.gz IRIKQZOJZKKMGH-HXUWFJFHSA-N 1 0 396.539 4.328 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)C(=O)Nc3ccccc3C(C)(C)C)ccc21 ZINC000453990272 822421344 /nfs/dbraw/zinc/42/13/44/822421344.db2.gz PCLCLHKTHQAZRB-HXUWFJFHSA-N 1 0 379.504 4.110 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)C(=O)Nc3ccc(Cl)c(Cl)c3)ccc21 ZINC000453999416 822421711 /nfs/dbraw/zinc/42/17/11/822421711.db2.gz WNYJJGLHRKAUEH-QGZVFWFLSA-N 1 0 392.286 4.120 20 0 GIADRO O=C(c1ccc(Cl)c2cccnc12)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000045887837 822421926 /nfs/dbraw/zinc/42/19/26/822421926.db2.gz WGEZPLMFICIXHC-UHFFFAOYSA-N 1 0 379.891 4.236 20 0 GIADRO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000183084712 822422669 /nfs/dbraw/zinc/42/26/69/822422669.db2.gz YZVLUYYOQFHOLA-ZDUSSCGKSA-N 1 0 393.890 4.437 20 0 GIADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1NC(=O)OCc1ccccc1 ZINC000183095323 822423779 /nfs/dbraw/zinc/42/37/79/822423779.db2.gz HXHZCBXCCQBAQZ-IBGZPJMESA-N 1 0 395.503 4.040 20 0 GIADRO C[NH2+]C[C@H]1CCN(C(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)cc2)C1 ZINC000178964410 822425069 /nfs/dbraw/zinc/42/50/69/822425069.db2.gz RPVBJURHGGLLNW-LJQANCHMSA-N 1 0 380.532 4.245 20 0 GIADRO O=C(CCc1ccccc1)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000045941463 822425747 /nfs/dbraw/zinc/42/57/47/822425747.db2.gz XIFLEQYIEVOJBU-UHFFFAOYSA-N 1 0 379.504 4.072 20 0 GIADRO CCCCC[N@H+](Cc1nn2c(nc(C)cc2=O)s1)Cc1ccc(Cl)cc1 ZINC000183117976 822426656 /nfs/dbraw/zinc/42/66/56/822426656.db2.gz BTSYHARXZWNDAT-UHFFFAOYSA-N 1 0 390.940 4.305 20 0 GIADRO O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@H+](Cc2cccc3cnccc32)C1 ZINC000183119767 822427116 /nfs/dbraw/zinc/42/71/16/822427116.db2.gz LSKPNODJRGBXKH-QGZVFWFLSA-N 1 0 380.879 4.134 20 0 GIADRO O=C(Nc1cc(Cl)ccc1O)C1CC[NH+](Cc2cccc3cnccc32)CC1 ZINC000183124512 822427533 /nfs/dbraw/zinc/42/75/33/822427533.db2.gz XERQSKHRLJOTMB-UHFFFAOYSA-N 1 0 395.890 4.445 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)N2CCC[C@H]2c2ccsc2)CC1 ZINC000045977472 822428831 /nfs/dbraw/zinc/42/88/31/822428831.db2.gz MDUOFUADXQZBPY-IBGZPJMESA-N 1 0 384.549 4.259 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCC[C@@H]1c1cccs1)c1ccccc1-n1cccn1 ZINC000183135873 822429083 /nfs/dbraw/zinc/42/90/83/822429083.db2.gz URCXDJGBYBKGGU-FUHIMQAGSA-N 1 0 394.544 4.337 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2c(C)cccc2C)cc1 ZINC000183140434 822429764 /nfs/dbraw/zinc/42/97/64/822429764.db2.gz BBAPELHLIQUOQF-ZWKOTPCHSA-N 1 0 376.504 4.475 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000179014496 822430125 /nfs/dbraw/zinc/43/01/25/822430125.db2.gz WORKIELHLIGYHY-IFMALSPDSA-N 1 0 389.503 4.056 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cc(F)ccc2F)cc1 ZINC000183142926 822430549 /nfs/dbraw/zinc/43/05/49/822430549.db2.gz RBFIDHNVMQZFMT-KBPBESRZSA-N 1 0 384.430 4.137 20 0 GIADRO CCOC(=O)Nc1ccc(NC(=O)NCc2cccc(C[NH+](CC)CC)c2)cc1 ZINC000045987009 822430756 /nfs/dbraw/zinc/43/07/56/822430756.db2.gz CAXFVPVSGZSDOA-UHFFFAOYSA-N 1 0 398.507 4.419 20 0 GIADRO CC(C)CC(=O)Nc1ccc(NC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000045988837 822431151 /nfs/dbraw/zinc/43/11/51/822431151.db2.gz WFPCQXUHXWPBJQ-SFHVURJKSA-N 1 0 388.556 4.305 20 0 GIADRO FC(F)(F)c1ccn(C2CC[NH+](CCCOCCc3ccccc3)CC2)n1 ZINC000183148992 822431456 /nfs/dbraw/zinc/43/14/56/822431456.db2.gz ODYQPKQYVYZRER-UHFFFAOYSA-N 1 0 381.442 4.188 20 0 GIADRO CCc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000183149838 822431659 /nfs/dbraw/zinc/43/16/59/822431659.db2.gz UXOMIJHVFNASHV-AWEZNQCLSA-N 1 0 394.441 4.128 20 0 GIADRO Cc1nc(COc2cccc(C(=O)NCC[C@@H](C)[NH+]3CCCCC3)c2)cs1 ZINC000183154545 822432650 /nfs/dbraw/zinc/43/26/50/822432650.db2.gz MBTGKPDEWWGLEN-MRXNPFEDSA-N 1 0 387.549 4.025 20 0 GIADRO Cc1nn(C)c2ncc(C[NH2+]CCc3csc(-c4ccc(Cl)cc4)n3)cc12 ZINC000179048867 822433477 /nfs/dbraw/zinc/43/34/77/822433477.db2.gz GGTVFAXIGKCWKG-UHFFFAOYSA-N 1 0 397.935 4.386 20 0 GIADRO O=C(c1cccc(Cl)c1)N1CCC[N@H+](Cc2cccc3cnccc32)CC1 ZINC000183164275 822433922 /nfs/dbraw/zinc/43/39/22/822433922.db2.gz FIMDASOHPQSTNJ-UHFFFAOYSA-N 1 0 379.891 4.236 20 0 GIADRO FC(F)Oc1ccc(C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)cc1 ZINC000183170851 822435019 /nfs/dbraw/zinc/43/50/19/822435019.db2.gz SRRACHRXQFUYFN-UHFFFAOYSA-N 1 0 375.341 4.340 20 0 GIADRO CN(c1ccccc1CNc1cccc(-c2cc[nH]n2)c1)C1CC[NH+](C)CC1 ZINC000179070564 822435231 /nfs/dbraw/zinc/43/52/31/822435231.db2.gz CUTCOWHCHHQTPK-UHFFFAOYSA-N 1 0 375.520 4.219 20 0 GIADRO CC1(C)CCc2ccccc2[C@@H]1NC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000179072174 822435423 /nfs/dbraw/zinc/43/54/23/822435423.db2.gz PWTWFVAKFUIUAT-QFIPXVFZSA-N 1 0 392.547 4.059 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)CO[C@@H](C)c1ccc(Cl)cc1)c1ccccc1-n1cccn1 ZINC000183172358 822435563 /nfs/dbraw/zinc/43/55/63/822435563.db2.gz AAHFJPKQVINITN-ABSDTBQOSA-N 1 0 399.922 4.315 20 0 GIADRO CN(C(=O)Nc1ccc(F)cc1Cl)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000454185745 822436747 /nfs/dbraw/zinc/43/67/47/822436747.db2.gz OTLGVIUWQFZZRZ-UHFFFAOYSA-N 1 0 381.801 4.360 20 0 GIADRO CN(C)C(=O)[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000179092753 822437206 /nfs/dbraw/zinc/43/72/06/822437206.db2.gz DCNSJWFMLNQGBK-GOEBONIOSA-N 1 0 397.466 4.171 20 0 GIADRO CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]Cc1ccc(Cn2cncn2)cc1 ZINC000179100280 822438214 /nfs/dbraw/zinc/43/82/14/822438214.db2.gz QBARZLILMYKAIQ-QFIPXVFZSA-N 1 0 376.504 4.453 20 0 GIADRO O=C(c1cc(-c2ccccn2)ccc1Cl)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000179109381 822439143 /nfs/dbraw/zinc/43/91/43/822439143.db2.gz KVJCQLPUBBDLCN-SFHVURJKSA-N 1 0 383.923 4.493 20 0 GIADRO C[C@H]([NH2+]C[C@H](c1ccc(Cl)cc1)N1CCOCC1)c1ccc(Cl)nc1 ZINC000179115861 822439948 /nfs/dbraw/zinc/43/99/48/822439948.db2.gz GJKBQUCITKUFJV-KBXCAEBGSA-N 1 0 380.319 4.113 20 0 GIADRO C[C@@H]([NH2+]C[C@H](c1ccc(Cl)cc1)N1CCOCC1)c1ccc(Cl)nc1 ZINC000179115869 822439958 /nfs/dbraw/zinc/43/99/58/822439958.db2.gz GJKBQUCITKUFJV-RDTXWAMCSA-N 1 0 380.319 4.113 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)N1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1)C1CCCCC1 ZINC000454233238 822441648 /nfs/dbraw/zinc/44/16/48/822441648.db2.gz WWLKPZHZXHMOBD-KNKQGSTJSA-N 1 0 399.579 4.466 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)c2cc3cc(C)cc(Br)c3o2)CC1 ZINC000183212912 822442546 /nfs/dbraw/zinc/44/25/46/822442546.db2.gz JBYDUTVYFHFJQS-UHFFFAOYSA-N 1 0 393.325 4.450 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)N[C@H]1CCCC[C@H]1CC(F)(F)F)c1ccsc1 ZINC000454239376 822442593 /nfs/dbraw/zinc/44/25/93/822442593.db2.gz ODPRTPMUKFEWGT-QEJZJMRPSA-N 1 0 377.476 4.161 20 0 GIADRO C[C@H](CCc1cccc(F)c1)[NH+]1CCC(C(=O)NCCc2cccs2)CC1 ZINC000183213613 822442679 /nfs/dbraw/zinc/44/26/79/822442679.db2.gz GYOCAUIILFJGKR-QGZVFWFLSA-N 1 0 388.552 4.279 20 0 GIADRO COc1cccc([C@H]2C[C@H](NC(=O)NCc3cccc(C[NH+]4CCCC4)c3)C2)c1 ZINC000454245197 822442869 /nfs/dbraw/zinc/44/28/69/822442869.db2.gz HQHATXKZSWAARS-HZCBDIJESA-N 1 0 393.531 4.036 20 0 GIADRO C[C@H]1C[C@H](c2cccnc2)N(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000183224121 822444063 /nfs/dbraw/zinc/44/40/63/822444063.db2.gz IVNJUZZNCSXCGY-WMZHIEFXSA-N 1 0 392.547 4.086 20 0 GIADRO Cc1onc(-c2ccc(F)cc2)c1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000046148120 822444102 /nfs/dbraw/zinc/44/41/02/822444102.db2.gz MVDOJFGFONYKNL-FQEVSTJZSA-N 1 0 393.462 4.356 20 0 GIADRO COc1ccc(COCC(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000046156314 822445549 /nfs/dbraw/zinc/44/55/49/822445549.db2.gz REMVJHCKAMZEMP-SFHVURJKSA-N 1 0 382.504 4.082 20 0 GIADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2ccccc2NC(=O)OCc2ccccc2)C1 ZINC000183234042 822445515 /nfs/dbraw/zinc/44/55/15/822445515.db2.gz QRGOCPSNNKMYTI-OALUTQOASA-N 1 0 395.503 4.038 20 0 GIADRO C[C@H]([NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1)c1cccc(CO)c1 ZINC000183237083 822446109 /nfs/dbraw/zinc/44/61/09/822446109.db2.gz KJQGTEREAQFCTI-DOTOQJQBSA-N 1 0 389.337 4.119 20 0 GIADRO Cc1cc(C[N@@H+]2CCC[C@@H](C3(C)OCCO3)C2)cc(C)c1OCc1ccccn1 ZINC000183236629 822446152 /nfs/dbraw/zinc/44/61/52/822446152.db2.gz VSLHFCIBANIZBV-OAQYLSRUSA-N 1 0 396.531 4.252 20 0 GIADRO Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)NCCC[NH+]1CCCCC1 ZINC000179164346 822446296 /nfs/dbraw/zinc/44/62/96/822446296.db2.gz ULQAARGLAYUQAD-UHFFFAOYSA-N 1 0 390.528 4.340 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@@H]1CCCc2c(F)cccc21 ZINC000454268275 822446838 /nfs/dbraw/zinc/44/68/38/822446838.db2.gz KMIWQQSSVMVQAA-JOCHJYFZSA-N 1 0 396.510 4.085 20 0 GIADRO CO[C@H]1CCN(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)CC1(C)C ZINC000454274397 822448204 /nfs/dbraw/zinc/44/82/04/822448204.db2.gz VRNWIOBRVYDCIA-NQIIRXRSSA-N 1 0 387.568 4.018 20 0 GIADRO CCO[C@@H]1CCN(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)C[C@@H]1C ZINC000454275433 822448377 /nfs/dbraw/zinc/44/83/77/822448377.db2.gz XHLYYRCERRRQMN-CNNODRBYSA-N 1 0 387.568 4.018 20 0 GIADRO Cc1nc2ccccc2n1CCC[NH2+][C@H](C)c1ncc(Br)s1 ZINC000179192792 822449103 /nfs/dbraw/zinc/44/91/03/822449103.db2.gz PSXGCAXJMZAFKI-LLVKDONJSA-N 1 0 379.327 4.305 20 0 GIADRO CCCc1ncc(CNC(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)o1 ZINC000454278641 822449396 /nfs/dbraw/zinc/44/93/96/822449396.db2.gz WRIJIAUJFWWBBJ-QZTJIDSGSA-N 1 0 398.551 4.104 20 0 GIADRO C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000183264884 822450592 /nfs/dbraw/zinc/45/05/92/822450592.db2.gz HDXFXPLAHJHKRR-LQWHRVPQSA-N 1 0 398.576 4.148 20 0 GIADRO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000183265597 822450808 /nfs/dbraw/zinc/45/08/08/822450808.db2.gz QUORJXJOBNHNED-CFGMGRTJSA-N 1 0 396.453 4.360 20 0 GIADRO COc1cccc([C@H]2[C@H](NC(=O)c3ccccc3SC)CC[N@@H+]2C2CC2)c1 ZINC000183269864 822451507 /nfs/dbraw/zinc/45/15/07/822451507.db2.gz OAHKLEBKOFZNCO-CTNGQTDRSA-N 1 0 382.529 4.125 20 0 GIADRO COc1cccc([C@H]2[C@H](NC(=O)c3c[nH]c4cc(F)ccc34)CC[N@@H+]2C2CC2)c1 ZINC000183271978 822451712 /nfs/dbraw/zinc/45/17/12/822451712.db2.gz WTLVPLJYQDKFDL-IRLDBZIGSA-N 1 0 393.462 4.023 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)N2CC[C@H](C(F)(F)F)C[C@H]2C)CC1 ZINC000454292474 822452764 /nfs/dbraw/zinc/45/27/64/822452764.db2.gz BXVBFRVAYVGRBD-CVEARBPZSA-N 1 0 398.473 4.023 20 0 GIADRO COCc1cccc(C[NH+]2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)c1 ZINC000179218916 822453133 /nfs/dbraw/zinc/45/31/33/822453133.db2.gz IGAAEWXPCLKATO-UHFFFAOYSA-N 1 0 377.406 4.345 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@H]1CSc2ccccc21 ZINC000454317490 822457374 /nfs/dbraw/zinc/45/73/74/822457374.db2.gz PKOCFCSNJPLPCT-IBGZPJMESA-N 1 0 383.561 4.216 20 0 GIADRO CSCC1CCC(NC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000454325070 822458014 /nfs/dbraw/zinc/45/80/14/822458014.db2.gz WLXPYFQLMVBHGZ-UHFFFAOYSA-N 1 0 389.609 4.180 20 0 GIADRO COCCCCN(Cc1ccccc1)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000179268166 822459330 /nfs/dbraw/zinc/45/93/30/822459330.db2.gz FBMVENVHBOZAMH-GOTSBHOMSA-N 1 0 395.547 4.070 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@H]2CCN(c3ccc(Cl)cc3)C2)cc(OC)c1OC ZINC000183333840 822460238 /nfs/dbraw/zinc/46/02/38/822460238.db2.gz JJRRFEXTOKBWCZ-YOEHRIQHSA-N 1 0 390.911 4.295 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)Nc2cc3c(cc2C)OCO3)CC1 ZINC000183333790 822460284 /nfs/dbraw/zinc/46/02/84/822460284.db2.gz CAIPCZBWWIQBEC-UHFFFAOYSA-N 1 0 375.513 4.090 20 0 GIADRO Fc1ccc([C@H]([NH2+]CCc2nccn2Cc2ccccc2)c2ccccc2)nc1 ZINC000183337649 822460625 /nfs/dbraw/zinc/46/06/25/822460625.db2.gz OUGWPMRQHLNQSS-XMMPIXPASA-N 1 0 386.474 4.387 20 0 GIADRO COc1cc(-c2noc(C[NH2+][C@@H](C)[C@H](C)c3ccccc3)n2)cc(OC)c1OC ZINC000183343181 822461461 /nfs/dbraw/zinc/46/14/61/822461461.db2.gz MPBMDEKUWKHONI-GJZGRUSLSA-N 1 0 397.475 4.044 20 0 GIADRO COc1cccc([C@H](CNC(=O)c2ccc([C@@H](C)C(F)(F)F)cc2)[NH+](C)C)c1 ZINC000454364325 822462596 /nfs/dbraw/zinc/46/25/96/822462596.db2.gz CTYQYGCYBHNFQT-KUHUBIRLSA-N 1 0 394.437 4.394 20 0 GIADRO C[C@@H](CN1CCCC1=O)[NH2+]Cc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000179297987 822462668 /nfs/dbraw/zinc/46/26/68/822462668.db2.gz HWWOHULXBUUJQF-NSHDSACASA-N 1 0 384.332 4.217 20 0 GIADRO CC(C)c1ccc(C[C@@H](C)NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000179299732 822462755 /nfs/dbraw/zinc/46/27/55/822462755.db2.gz GPOHYNVDSSGNSB-LJQANCHMSA-N 1 0 394.563 4.100 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)cnn1C ZINC000183362306 822463834 /nfs/dbraw/zinc/46/38/34/822463834.db2.gz QBIHYOLTZBAQNK-HOTGVXAUSA-N 1 0 378.476 4.199 20 0 GIADRO CCO[C@H](C)c1nc(CN2CC[NH+](Cc3cccc4cnccc43)CC2)cs1 ZINC000183364410 822464072 /nfs/dbraw/zinc/46/40/72/822464072.db2.gz OOWYGBWNKBRXFW-QGZVFWFLSA-N 1 0 396.560 4.107 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)N1CCC[C@]2(CCSC2)C1 ZINC000454371757 822464107 /nfs/dbraw/zinc/46/41/07/822464107.db2.gz IPSGCDOHEBIRFK-NRFANRHFSA-N 1 0 391.581 4.158 20 0 GIADRO CCN(C(=O)NC[C@H](c1ccsc1)[NH+](C)C)[C@H](C)c1cccc(OC)c1 ZINC000046346971 822464388 /nfs/dbraw/zinc/46/43/88/822464388.db2.gz YUHSRNYCBLAPOF-DNVCBOLYSA-N 1 0 375.538 4.152 20 0 GIADRO CCOc1ccc([C@@H]2CCCN2C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc1 ZINC000046347296 822464702 /nfs/dbraw/zinc/46/47/02/822464702.db2.gz PFUDATKJZFJREJ-PMACEKPBSA-N 1 0 387.549 4.296 20 0 GIADRO CCN(CC)C(=O)c1ccc(NC(=O)NC(C)(C)CCC[NH+](C)C)cc1Cl ZINC000454382241 822466269 /nfs/dbraw/zinc/46/62/69/822466269.db2.gz DQRLDQNZXWDWFK-UHFFFAOYSA-N 1 0 396.963 4.064 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)NCCCC[N@H+](C)C1CC1 ZINC000454387199 822466887 /nfs/dbraw/zinc/46/68/87/822466887.db2.gz QYZZIDSQYIIOFT-INIZCTEOSA-N 1 0 386.565 4.353 20 0 GIADRO CCCCNC(=O)C1CC[NH+](Cc2ccc(-n3cnc4ccccc43)cc2)CC1 ZINC000179330791 822467212 /nfs/dbraw/zinc/46/72/12/822467212.db2.gz VHKWQQFDDVRZBX-UHFFFAOYSA-N 1 0 390.531 4.154 20 0 GIADRO O=C(c1cccc(C[N@H+]2CC[C@H](Oc3cccc(F)c3)C2)c1)N1CCCCC1 ZINC000183398565 822468288 /nfs/dbraw/zinc/46/82/88/822468288.db2.gz RUVMRZPIQVELQT-QFIPXVFZSA-N 1 0 382.479 4.105 20 0 GIADRO Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000183405913 822469100 /nfs/dbraw/zinc/46/91/00/822469100.db2.gz BLCCMWKQEIBRIP-PZUNEJSGSA-N 1 0 394.559 4.126 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3cnc4ccc(F)cc4c3)c(C)c2)CC1 ZINC000179348196 822469121 /nfs/dbraw/zinc/46/91/21/822469121.db2.gz SRZWHCAKQWLTDU-UHFFFAOYSA-N 1 0 392.478 4.077 20 0 GIADRO CC(C)Oc1ncccc1NC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179353261 822469966 /nfs/dbraw/zinc/46/99/66/822469966.db2.gz JBXPIJMFCXHCQX-UHFFFAOYSA-N 1 0 397.523 4.034 20 0 GIADRO C[N@@H+]1CCCN(c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)CC1 ZINC000046403834 822470368 /nfs/dbraw/zinc/47/03/68/822470368.db2.gz GXFGBJBDKYMQIV-UHFFFAOYSA-N 1 0 378.303 4.388 20 0 GIADRO C[N@@H+]1CCCN(c2ccc(NC(=O)Cc3cccc(C(F)(F)F)c3)cc2)CC1 ZINC000046404579 822470898 /nfs/dbraw/zinc/47/08/98/822470898.db2.gz MRSZBEOBQMMNPF-UHFFFAOYSA-N 1 0 391.437 4.029 20 0 GIADRO CC(C)Oc1ccc(NC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(F)c1 ZINC000183448559 822476570 /nfs/dbraw/zinc/47/65/70/822476570.db2.gz MTXQQFRUOVIOFQ-HZPDHXFCSA-N 1 0 377.504 4.387 20 0 GIADRO O=C(N[C@H](c1ccc(Cl)cc1)C1CCC1)NC1CC[NH+](C2CCC2)CC1 ZINC000454443476 822476751 /nfs/dbraw/zinc/47/67/51/822476751.db2.gz RRPPALLTIGQGFZ-FQEVSTJZSA-N 1 0 375.944 4.497 20 0 GIADRO COc1ccc(C[N@H+](C)Cn2cnc3cc(F)c(F)cc32)cc1OC(F)F ZINC000046478177 822476936 /nfs/dbraw/zinc/47/69/36/822476936.db2.gz YDXUHINHVRXTFM-UHFFFAOYSA-N 1 0 383.345 4.014 20 0 GIADRO CSCCc1ccc(NC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000183459059 822478168 /nfs/dbraw/zinc/47/81/68/822478168.db2.gz CQHRGGQUUKPSTD-WMZOPIPTSA-N 1 0 375.582 4.367 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(C)nc1C1CC1)c1cccc(OC)c1 ZINC000454459861 822478992 /nfs/dbraw/zinc/47/89/92/822478992.db2.gz ASNKWNMDLAQKIZ-NRFANRHFSA-N 1 0 381.520 4.089 20 0 GIADRO CC[N@H+](CCC(=O)Nc1ccc(Cl)cc1F)Cc1ccc2c(c1)OCO2 ZINC000046504082 822479008 /nfs/dbraw/zinc/47/90/08/822479008.db2.gz DRBLDCFXBMMMGD-UHFFFAOYSA-N 1 0 378.831 4.059 20 0 GIADRO Cc1cc(NC(=O)C2CC[NH+](Cc3cc(Cl)cc4cccnc43)CC2)no1 ZINC000046503939 822479133 /nfs/dbraw/zinc/47/91/33/822479133.db2.gz KQSSOCAFGOVKSN-UHFFFAOYSA-N 1 0 384.867 4.035 20 0 GIADRO CC(F)(F)CCCNC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000454464520 822479814 /nfs/dbraw/zinc/47/98/14/822479814.db2.gz ORVHKJYYVHYGSE-UHFFFAOYSA-N 1 0 387.902 4.287 20 0 GIADRO C[C@@H]([NH2+]CC1(c2ccc(Br)cc2)CCOCC1)c1nccs1 ZINC000179420434 822479948 /nfs/dbraw/zinc/47/99/48/822479948.db2.gz WCPPHIOCKFGTEY-CYBMUJFWSA-N 1 0 381.339 4.305 20 0 GIADRO Cc1ccc(C(=O)N2CCC([NH2+][C@H](C)c3nc4c(s3)CCCC4)CC2)cc1 ZINC000179421689 822480124 /nfs/dbraw/zinc/48/01/24/822480124.db2.gz WDHZGFQNCFJHKB-MRXNPFEDSA-N 1 0 383.561 4.286 20 0 GIADRO C[C@H]([NH2+]CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1nc2c(s1)CCCC2 ZINC000179426477 822480801 /nfs/dbraw/zinc/48/08/01/822480801.db2.gz RXRKNUTZFSHOKS-LSDHHAIUSA-N 1 0 379.570 4.320 20 0 GIADRO C[C@@H](NC(=O)Nc1ccc(N(C)C)c(Cl)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183475385 822481157 /nfs/dbraw/zinc/48/11/57/822481157.db2.gz ZDDJHTVALQQIRT-HUUCEWRRSA-N 1 0 378.948 4.181 20 0 GIADRO Cc1cc2ncc([C@H](C)[NH2+]C[C@H](O)c3ccc(Cl)cc3Cl)c(C)n2n1 ZINC000179428481 822481251 /nfs/dbraw/zinc/48/12/51/822481251.db2.gz ZNZYBOAMFGPRTR-GTNSWQLSSA-N 1 0 379.291 4.037 20 0 GIADRO O=C(C[C@@H]1CCCc2ccccc21)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC000179433517 822481973 /nfs/dbraw/zinc/48/19/73/822481973.db2.gz JCZVTHUKYKMENP-IBGZPJMESA-N 1 0 378.516 4.092 20 0 GIADRO O=C(NCCCC[NH+]1CCC(Cc2ccccc2)CC1)N1CCC(CF)CC1 ZINC000454481830 822482255 /nfs/dbraw/zinc/48/22/55/822482255.db2.gz KCNCFGDITRFTHX-UHFFFAOYSA-N 1 0 389.559 4.112 20 0 GIADRO Cc1ccc([C@@H](C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)N2CCCC2)o1 ZINC000183480150 822482587 /nfs/dbraw/zinc/48/25/87/822482587.db2.gz ZWPHOEXIYNWOKG-RBUKOAKNSA-N 1 0 391.556 4.104 20 0 GIADRO O=C(NCCCCC[NH+]1CCCC1)Nc1cccc(NC(=O)c2ccccc2)c1 ZINC000454485025 822482710 /nfs/dbraw/zinc/48/27/10/822482710.db2.gz RQNHXADIEFCDGU-UHFFFAOYSA-N 1 0 394.519 4.327 20 0 GIADRO CCC(CC)(C[NH2+][C@H](C)c1cnc2cc(C)nn2c1C)NC(=O)OC(C)(C)C ZINC000179439564 822483214 /nfs/dbraw/zinc/48/32/14/822483214.db2.gz WBPRBEIULGCTNC-OAHLLOKOSA-N 1 0 389.544 4.080 20 0 GIADRO CN(Cc1c(F)cccc1F)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000454493017 822484291 /nfs/dbraw/zinc/48/42/91/822484291.db2.gz VNMQGWGBYYAYIM-YQQQUEKLSA-N 1 0 399.485 4.302 20 0 GIADRO Cc1csc([C@H](C)CNC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)n1 ZINC000183493465 822485183 /nfs/dbraw/zinc/48/51/83/822485183.db2.gz MXQQQNFFUMIMBZ-WBVHZDCISA-N 1 0 386.565 4.080 20 0 GIADRO COc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000179454494 822485376 /nfs/dbraw/zinc/48/53/76/822485376.db2.gz YOGOQNNFGSYWOZ-OAHLLOKOSA-N 1 0 397.450 4.039 20 0 GIADRO C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000179456456 822485915 /nfs/dbraw/zinc/48/59/15/822485915.db2.gz HMPLYQKAXUFFKE-MRXNPFEDSA-N 1 0 381.451 4.054 20 0 GIADRO COC(=O)c1cc2cc(C[NH2+][C@H](C)c3cc(OC)c(OC)cc3F)ccc2o1 ZINC000183497585 822486072 /nfs/dbraw/zinc/48/60/72/822486072.db2.gz SHWUGVAAQBGECN-GFCCVEGCSA-N 1 0 387.407 4.227 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)N1C[C@H](C)C[C@@H]1c1cccnc1 ZINC000183501470 822486774 /nfs/dbraw/zinc/48/67/74/822486774.db2.gz UEHWLNUDIGHTFG-WIYYLYMNSA-N 1 0 396.535 4.417 20 0 GIADRO COc1ccc([C@H]([NH2+]CCn2ccnc2)c2ccccc2)cc1Br ZINC000179469695 822487251 /nfs/dbraw/zinc/48/72/51/822487251.db2.gz OZRSWSVJHYRIDX-LJQANCHMSA-N 1 0 386.293 4.033 20 0 GIADRO CO[C@](C)(CNC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1)c1ccccc1 ZINC000454512698 822488104 /nfs/dbraw/zinc/48/81/04/822488104.db2.gz HTDOIDKPAHNVOZ-NTKDMRAZSA-N 1 0 395.547 4.073 20 0 GIADRO C[C@H](C[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1)c1nc(-c2ccccc2)no1 ZINC000179477721 822488150 /nfs/dbraw/zinc/48/81/50/822488150.db2.gz BPPVISMEYDPHRS-CVEARBPZSA-N 1 0 392.459 4.148 20 0 GIADRO CC[C@H]([NH2+]C[C@@H](C)c1nc(-c2ccccc2)no1)c1ccc2c(c1)OCCO2 ZINC000179478490 822488301 /nfs/dbraw/zinc/48/83/01/822488301.db2.gz KHXQLFKEBCSXFA-QAPCUYQASA-N 1 0 379.460 4.352 20 0 GIADRO Cc1ccc(NC(=O)C(C)C)cc1NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179478854 822488631 /nfs/dbraw/zinc/48/86/31/822488631.db2.gz WVNKINULSLMAMU-PZJWPPBQSA-N 1 0 394.519 4.156 20 0 GIADRO C[C@@H](NC(=O)Nc1cc(F)ccc1Br)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183516931 822488851 /nfs/dbraw/zinc/48/88/51/822488851.db2.gz SZTJWVFBIPJUCB-CHWSQXEVSA-N 1 0 398.320 4.363 20 0 GIADRO Cc1ccc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(OCc2ccccc2)c1 ZINC000454520712 822490494 /nfs/dbraw/zinc/49/04/94/822490494.db2.gz LOAYWXWMIDOMEC-IHWFROFDSA-N 1 0 379.504 4.321 20 0 GIADRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CC1(c2ccc(F)cc2F)CC1 ZINC000179497844 822491656 /nfs/dbraw/zinc/49/16/56/822491656.db2.gz HNUPCRIQUBZGGY-LBPRGKRZSA-N 1 0 379.838 4.052 20 0 GIADRO C[C@H](NC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)c1cccc(OC(F)F)c1 ZINC000046609386 822491786 /nfs/dbraw/zinc/49/17/86/822491786.db2.gz UULWRZFVELHMGE-HOTGVXAUSA-N 1 0 383.483 4.160 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@H]2CCCN(c3ccccc3F)C2)cc(OC)c1OC ZINC000179500623 822492122 /nfs/dbraw/zinc/49/21/22/822492122.db2.gz RTQUXHFUMOIPIV-RDJZCZTQSA-N 1 0 388.483 4.171 20 0 GIADRO C[C@H](NC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(OC(F)F)cc1 ZINC000046612961 822492573 /nfs/dbraw/zinc/49/25/73/822492573.db2.gz VLWHKBVSRXBBOZ-HOTGVXAUSA-N 1 0 383.483 4.303 20 0 GIADRO COc1cccc(N2CC[C@@H](C[NH2+][C@@H](c3ccccc3)c3ccc(F)cn3)C2)c1 ZINC000183544378 822492665 /nfs/dbraw/zinc/49/26/65/822492665.db2.gz GPBJGEVBNZKCNN-UUOWRZLLSA-N 1 0 391.490 4.435 20 0 GIADRO Fc1ccc([C@H]([NH2+]CCc2cc(F)cc3c2OCOC3)c2ccccc2)nc1 ZINC000183552685 822493849 /nfs/dbraw/zinc/49/38/49/822493849.db2.gz DWGYDQKPGXHDSC-OAQYLSRUSA-N 1 0 382.410 4.148 20 0 GIADRO COc1ccc([C@H](C)[NH2+]C[C@H](C)COc2ccccc2OC)cc1NC(C)=O ZINC000179512692 822493845 /nfs/dbraw/zinc/49/38/45/822493845.db2.gz YMDAVBUSHBPEPJ-HOTGVXAUSA-N 1 0 386.492 4.028 20 0 GIADRO COc1ccccc1OC[C@@H](C)C[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000179512473 822493934 /nfs/dbraw/zinc/49/39/34/822493934.db2.gz MGDQMMOZQKBTLG-JPEQQQOWSA-N 1 0 394.515 4.132 20 0 GIADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]CC1(c2ccccc2Cl)CC1 ZINC000179519069 822495813 /nfs/dbraw/zinc/49/58/13/822495813.db2.gz NZBXGXXEEMPQKG-CYBMUJFWSA-N 1 0 378.303 4.427 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)c2cnc3ccc(F)cc3c2)CC[N@@H+]1Cc1ccccc1 ZINC000179521429 822496338 /nfs/dbraw/zinc/49/63/38/822496338.db2.gz RUGDVKHZOFAPDF-HTAPYJJXSA-N 1 0 391.490 4.499 20 0 GIADRO COCc1cc([C@H](C)[NH2+][C@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)ccc1OC ZINC000179523809 822496735 /nfs/dbraw/zinc/49/67/35/822496735.db2.gz IFFLEIROBPNRRV-PRPYNDMISA-N 1 0 390.474 4.216 20 0 GIADRO CCC(CC)n1nc(C(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000183577641 822496955 /nfs/dbraw/zinc/49/69/55/822496955.db2.gz QAHSPJDKZCQAAC-UHFFFAOYSA-N 1 0 382.552 4.289 20 0 GIADRO Cc1cc2ncc([C@H](C)[NH2+][C@@H]3CCN(c4ccc(Cl)c(F)c4)C3)c(C)n2n1 ZINC000179525164 822496972 /nfs/dbraw/zinc/49/69/72/822496972.db2.gz PVWXAFAPQYSQKB-DZGCQCFKSA-N 1 0 387.890 4.068 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1C(F)(F)F)c1cccc(-n2cccn2)c1 ZINC000183592686 822498417 /nfs/dbraw/zinc/49/84/17/822498417.db2.gz SAOMTPBPWHEXAM-CQSZACIVSA-N 1 0 388.393 4.180 20 0 GIADRO Cc1cccc([C@@H]([NH2+][C@@H](C)Cn2cc(Br)cn2)c2ccccn2)c1 ZINC000179533658 822498693 /nfs/dbraw/zinc/49/86/93/822498693.db2.gz GOOSFBRDXLHREC-HNAYVOBHSA-N 1 0 385.309 4.117 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(SC(=O)N(C)C)c1)c1cccc(-n2cccn2)c1 ZINC000183594576 822498864 /nfs/dbraw/zinc/49/88/64/822498864.db2.gz NHLLTDLPAOYDBH-MRXNPFEDSA-N 1 0 380.517 4.497 20 0 GIADRO CCn1nc(C)c(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1C ZINC000179546001 822500937 /nfs/dbraw/zinc/50/09/37/822500937.db2.gz RHSLIKCURXAVCQ-LEWJYISDSA-N 1 0 395.551 4.038 20 0 GIADRO CCC[C@H]1C[C@H](C(=O)Nc2ccc(C[NH+]3CCSCC3)cc2C)CCO1 ZINC000183616356 822501647 /nfs/dbraw/zinc/50/16/47/822501647.db2.gz ZBBYUJOLCCKWOT-MOPGFXCFSA-N 1 0 376.566 4.078 20 0 GIADRO Cc1ccc(NC2CCN(C(=O)c3ccccc3Cl)CC2)c(C[NH+](C)C)c1 ZINC000183619611 822502194 /nfs/dbraw/zinc/50/21/94/822502194.db2.gz CEXWTLNKYWYXRV-UHFFFAOYSA-N 1 0 385.939 4.427 20 0 GIADRO Cc1c2ccccc2oc1[C@@H](C)[NH2+]CC(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000183627156 822503175 /nfs/dbraw/zinc/50/31/75/822503175.db2.gz RTAIKDKCIZVOFU-RTBURBONSA-N 1 0 391.515 4.035 20 0 GIADRO CC[C@@H]([NH2+][C@H]1CCCc2cc(F)ccc21)c1ccccc1OCC(=O)N(C)C ZINC000179561480 822503887 /nfs/dbraw/zinc/50/38/87/822503887.db2.gz JHIOYFMPZVGPDF-RTWAWAEBSA-N 1 0 384.495 4.411 20 0 GIADRO Cc1ccc2c(c1)[C@H](NC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)CCC2 ZINC000179569815 822505137 /nfs/dbraw/zinc/50/51/37/822505137.db2.gz GQLCBXSTNKFDCS-JOCHJYFZSA-N 1 0 381.520 4.271 20 0 GIADRO CCOc1ccc(NC(=O)NC(C)(C)CCC[NH+](C)C)c(C(F)(F)F)c1 ZINC000454609979 822505569 /nfs/dbraw/zinc/50/55/69/822505569.db2.gz RIUUNOVPEBHCIC-UHFFFAOYSA-N 1 0 375.435 4.346 20 0 GIADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)Nc3cccc(COC4CCCCC4)c3)C2)C1 ZINC000454612604 822506218 /nfs/dbraw/zinc/50/62/18/822506218.db2.gz XQGKSRWILUXSBO-QHCPKHFHSA-N 1 0 385.552 4.486 20 0 GIADRO COc1cc(OC)c(NC(=O)C[NH2+]C(C)(C)c2cccc(C)c2)cc1Cl ZINC000179590177 822508304 /nfs/dbraw/zinc/50/83/04/822508304.db2.gz BPDAQPYAAGBYEC-UHFFFAOYSA-N 1 0 376.884 4.129 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Cc1noc2ccccc12 ZINC000046715468 822508940 /nfs/dbraw/zinc/50/89/40/822508940.db2.gz QRIAOSLHFOEPNI-QGZVFWFLSA-N 1 0 377.488 4.061 20 0 GIADRO CN(Cc1ccccc1)c1ccccc1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000454634895 822509951 /nfs/dbraw/zinc/50/99/51/822509951.db2.gz TWQRWRKMHIVQNJ-IHWFROFDSA-N 1 0 378.520 4.070 20 0 GIADRO Fc1ccc(-n2ccc(CC[NH2+][C@H](c3ccccc3)c3ccc(F)cn3)n2)cc1 ZINC000183686235 822511078 /nfs/dbraw/zinc/51/10/78/822511078.db2.gz COOFCDAVAQJBEN-HSZRJFAPSA-N 1 0 390.437 4.467 20 0 GIADRO COc1ccc(C)cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000183687288 822511375 /nfs/dbraw/zinc/51/13/75/822511375.db2.gz VKSVIAQZRNJVFP-SJORKVTESA-N 1 0 392.503 4.176 20 0 GIADRO CCc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000183688079 822511543 /nfs/dbraw/zinc/51/15/43/822511543.db2.gz AHWCOJPIYMNZJN-DLBZAZTESA-N 1 0 376.504 4.421 20 0 GIADRO COC(=O)COc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCCO[C@H]1c1ccc(C)cc1 ZINC000183691419 822512353 /nfs/dbraw/zinc/51/23/53/822512353.db2.gz BBYSYCVSUUDPPC-WXVUKLJWSA-N 1 0 397.515 4.365 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000046750662 822512818 /nfs/dbraw/zinc/51/28/18/822512818.db2.gz QLEQCNZJYXKSPK-SFHVURJKSA-N 1 0 397.567 4.107 20 0 GIADRO Cc1ccc2[nH]c3c(c2c1)CN(C(=O)NCCCC[N@H+]1CCCC[C@H]1C)CC3 ZINC000046751177 822512921 /nfs/dbraw/zinc/51/29/21/822512921.db2.gz CCVCLLLYAYQFLZ-GOSISDBHSA-N 1 0 382.552 4.199 20 0 GIADRO C[C@H]1CCC[N@H+](CCCCNC(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000046752917 822513306 /nfs/dbraw/zinc/51/33/06/822513306.db2.gz UMIDILKZTDWBPX-INIZCTEOSA-N 1 0 396.373 4.103 20 0 GIADRO COC(=O)COc1ccccc1[C@@H](C)[NH2+][C@H](C)c1cccc(N2CCCC2)c1 ZINC000183710879 822515144 /nfs/dbraw/zinc/51/51/44/822515144.db2.gz DFZJYCUGHQGFMC-QZTJIDSGSA-N 1 0 382.504 4.250 20 0 GIADRO CCOc1cc(C[N@H+](C)[C@@H](C)c2ccncc2)cc(Br)c1OC ZINC000183709902 822515153 /nfs/dbraw/zinc/51/51/53/822515153.db2.gz OWWKXBFORKHALN-ZDUSSCGKSA-N 1 0 379.298 4.444 20 0 GIADRO COc1cc(C)c([C@H](C)[NH2+]C[C@@H](O)c2ccccc2Br)cc1OC ZINC000179629416 822515807 /nfs/dbraw/zinc/51/58/07/822515807.db2.gz JUVYPQPIGUGHPQ-SUMWQHHRSA-N 1 0 394.309 4.159 20 0 GIADRO COc1cc(C)c([C@H](C)[NH2+]C[C@@H](O)CO[C@@H]2CCCc3ccccc32)cc1OC ZINC000179635565 822517007 /nfs/dbraw/zinc/51/70/07/822517007.db2.gz BAKHORMDEIJPJU-LRXVAGHRSA-N 1 0 399.531 4.118 20 0 GIADRO C[NH+](C)Cc1ccc(NC(=O)C(C)(C)c2ccc(Br)cc2)cc1 ZINC000046787644 822517411 /nfs/dbraw/zinc/51/74/11/822517411.db2.gz VSSNYRUJKLFDBD-UHFFFAOYSA-N 1 0 375.310 4.427 20 0 GIADRO Cn1cc(C[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)c(C2CCCCC2)n1 ZINC000183739242 822519653 /nfs/dbraw/zinc/51/96/53/822519653.db2.gz FQRIRNOIPDZNFU-GOSISDBHSA-N 1 0 381.442 4.310 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)CCCOc2cccc3ccccc32)cc1 ZINC000046810648 822519989 /nfs/dbraw/zinc/51/99/89/822519989.db2.gz PZLRNDRNIOKWNU-UHFFFAOYSA-N 1 0 376.500 4.377 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)c2cc(OC)c(OC)cc2C)cc1 ZINC000046816188 822520488 /nfs/dbraw/zinc/52/04/88/822520488.db2.gz DNRKSBDTJAFCIU-QGZVFWFLSA-N 1 0 384.520 4.345 20 0 GIADRO CC[C@@H](C)C(=O)Nc1cccc(C[NH2+][C@H](C)c2ccccc2OCC(=O)OC)c1 ZINC000183744051 822520870 /nfs/dbraw/zinc/52/08/70/822520870.db2.gz RELIQPRBRKLIGC-IAGOWNOFSA-N 1 0 398.503 4.074 20 0 GIADRO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)NC(=O)CO2 ZINC000046819631 822521168 /nfs/dbraw/zinc/52/11/68/822521168.db2.gz RGOFDQPJKPKZJN-HOTGVXAUSA-N 1 0 395.503 4.127 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(-n2cncn2)c(F)c1)c1ccc(OC(F)(F)F)cc1 ZINC000046836377 822522577 /nfs/dbraw/zinc/52/25/77/822522577.db2.gz UMFFUVRKXYRFEF-LBPRGKRZSA-N 1 0 380.345 4.156 20 0 GIADRO Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000454720492 822523175 /nfs/dbraw/zinc/52/31/75/822523175.db2.gz QPQOOOYPDSWOKJ-LQBOVUBWSA-N 1 0 379.504 4.303 20 0 GIADRO Fc1cc(N2CC[C@@H]([NH2+]Cc3cncc(Br)c3)C2)ccc1Cl ZINC000183758904 822523481 /nfs/dbraw/zinc/52/34/81/822523481.db2.gz AEUFLGUZBTVNGE-CYBMUJFWSA-N 1 0 384.680 4.005 20 0 GIADRO C[C@H]([NH2+]CCOc1cccc(S(C)(=O)=O)c1)c1cccc(Cl)c1Cl ZINC000183763731 822524401 /nfs/dbraw/zinc/52/44/01/822524401.db2.gz ZCMJHJZUWDJQAC-LBPRGKRZSA-N 1 0 388.316 4.127 20 0 GIADRO O=C(NCC[NH+]1CCCCC1)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000046856192 822524944 /nfs/dbraw/zinc/52/49/44/822524944.db2.gz LTAJWFZBKMNINL-UHFFFAOYSA-N 1 0 375.472 4.224 20 0 GIADRO COc1cccc([C@@H]2[C@@H](NC(=O)Nc3c(C)cccc3C)CC[N@@H+]2C2CC2)c1 ZINC000183767820 822525409 /nfs/dbraw/zinc/52/54/09/822525409.db2.gz PKGOHWPFIJSKTM-RBBKRZOGSA-N 1 0 379.504 4.412 20 0 GIADRO COc1cccc([C@@H]2[C@H](NC(=O)Nc3c(C)cccc3C)CC[N@@H+]2C2CC2)c1 ZINC000183767807 822525497 /nfs/dbraw/zinc/52/54/97/822525497.db2.gz PKGOHWPFIJSKTM-IFMALSPDSA-N 1 0 379.504 4.412 20 0 GIADRO Cn1c(CC[NH2+][C@H](c2ccccc2)c2ccc(F)cn2)nc2c1cccc2F ZINC000183768439 822525670 /nfs/dbraw/zinc/52/56/70/822525670.db2.gz IGSHRZWJHQJZGI-OAQYLSRUSA-N 1 0 378.426 4.168 20 0 GIADRO C[N@@H+]1CC[C@@H](CNC(=O)NCCCC(C)(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000454741497 822526305 /nfs/dbraw/zinc/52/63/05/822526305.db2.gz SXFYBLJYPSDSHD-BBRMVZONSA-N 1 0 391.865 4.207 20 0 GIADRO Cc1ccc(NCc2cc(F)cc3cccnc32)cc1NC(=O)CC[NH+](C)C ZINC000183773880 822526493 /nfs/dbraw/zinc/52/64/93/822526493.db2.gz DCOIARBPYBEHIA-UHFFFAOYSA-N 1 0 380.467 4.185 20 0 GIADRO CC(C)[NH+]1CCC(NC(=O)NCc2ccc(OCc3ccccc3F)cc2)CC1 ZINC000183774320 822526527 /nfs/dbraw/zinc/52/65/27/822526527.db2.gz JKOQTDJWXGVQQV-UHFFFAOYSA-N 1 0 399.510 4.077 20 0 GIADRO COc1ccc(CNc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)cc1Cl ZINC000183778483 822527174 /nfs/dbraw/zinc/52/71/74/822527174.db2.gz IXFCGCSYBYFJKF-UHFFFAOYSA-N 1 0 375.900 4.159 20 0 GIADRO Cc1ccc(NCc2csc(-c3ccccn3)n2)cc1NC(=O)CC[NH+](C)C ZINC000183777731 822527206 /nfs/dbraw/zinc/52/72/06/822527206.db2.gz QERSWLOHYFGECC-UHFFFAOYSA-N 1 0 395.532 4.016 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)c1ccc(F)c(F)c1)c1cccc(OCc2ccccn2)c1 ZINC000179686885 822527416 /nfs/dbraw/zinc/52/74/16/822527416.db2.gz ZAMFQTUJSOAYCC-NYHFZMIOSA-N 1 0 384.426 4.323 20 0 GIADRO Cc1ccc(NCc2ccc(OC(F)F)cc2)cc1NC(=O)CC[NH+](C)C ZINC000183779273 822527427 /nfs/dbraw/zinc/52/74/27/822527427.db2.gz SXXCKDPYESLPBV-UHFFFAOYSA-N 1 0 377.435 4.099 20 0 GIADRO Cc1ccc(NCc2c[nH]nc2-c2ccccc2F)cc1NC(=O)CC[NH+](C)C ZINC000183780633 822527672 /nfs/dbraw/zinc/52/76/72/822527672.db2.gz GSUNOVGOBKKWCL-UHFFFAOYSA-N 1 0 395.482 4.027 20 0 GIADRO CC[C@H]1CCC[C@@H](C[NH2+]C2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)C1 ZINC000183789294 822528520 /nfs/dbraw/zinc/52/85/20/822528520.db2.gz XULNELAZVGZYTQ-ZWKOTPCHSA-N 1 0 388.552 4.114 20 0 GIADRO CC[C@H]1CCC[C@H](C[NH2+]C2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)C1 ZINC000183789262 822528539 /nfs/dbraw/zinc/52/85/39/822528539.db2.gz XULNELAZVGZYTQ-ROUUACIJSA-N 1 0 388.552 4.114 20 0 GIADRO Cc1ccc(NC(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)cc1-c1ncco1 ZINC000179694279 822528842 /nfs/dbraw/zinc/52/88/42/822528842.db2.gz QSNVFRZLEVANGL-QGZVFWFLSA-N 1 0 378.476 4.292 20 0 GIADRO CC[C@@H](C)[N@H+](Cc1ccccc1)Cc1cc(Cl)c(OCC(N)=O)c(OC)c1 ZINC000179695126 822529366 /nfs/dbraw/zinc/52/93/66/822529366.db2.gz HWWWLOAXTPVSBF-OAHLLOKOSA-N 1 0 390.911 4.013 20 0 GIADRO COC(=O)c1cccc(C[NH2+][C@@H](C)c2cccc(OCc3ccccn3)c2)c1 ZINC000179695798 822529393 /nfs/dbraw/zinc/52/93/93/822529393.db2.gz JZCZHZFGJLGWLE-KRWDZBQOSA-N 1 0 376.456 4.298 20 0 GIADRO C[C@H]([NH2+][C@@H](c1ccccc1)C1CC1)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000179698553 822529951 /nfs/dbraw/zinc/52/99/51/822529951.db2.gz GEHXHRHRTIQVHC-BTYIYWSLSA-N 1 0 379.529 4.384 20 0 GIADRO C[C@H](NC(=O)N1CC2(CCC2)[C@@H]1c1ccco1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000454766962 822530160 /nfs/dbraw/zinc/53/01/60/822530160.db2.gz KOHODNUOCJTBQG-DWLFOUALSA-N 1 0 393.531 4.427 20 0 GIADRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)Nc3cccc(Cl)c3)cc2)C[C@H](C)O1 ZINC000046918906 822530596 /nfs/dbraw/zinc/53/05/96/822530596.db2.gz HEWXJEORONBGAN-HOTGVXAUSA-N 1 0 387.911 4.271 20 0 GIADRO CC[NH+](CC)CCOc1ccc(NC(=O)N2CCC[C@]3(CCSC3)C2)cc1 ZINC000454771581 822530807 /nfs/dbraw/zinc/53/08/07/822530807.db2.gz MWBMWQSREGJMOK-NRFANRHFSA-N 1 0 391.581 4.158 20 0 GIADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)Nc3ccc(C(F)(F)F)cc3Cl)C2)C1 ZINC000454775683 822531713 /nfs/dbraw/zinc/53/17/13/822531713.db2.gz QVMGTQZCSVVGEW-INIZCTEOSA-N 1 0 375.822 4.308 20 0 GIADRO COc1ccc(C[N@@H+]2CCC[C@@H]2c2cccn2C)cc1OCc1cccnc1 ZINC000179708265 822532240 /nfs/dbraw/zinc/53/22/40/822532240.db2.gz UXXNVFCVJSYWIV-OAQYLSRUSA-N 1 0 377.488 4.345 20 0 GIADRO Cc1nccn1CCCC[NH+]1CCC(Oc2cccc(Br)c2)CC1 ZINC000183822602 822532332 /nfs/dbraw/zinc/53/23/32/822532332.db2.gz WHADGDPRIUENJU-UHFFFAOYSA-N 1 0 392.341 4.278 20 0 GIADRO COc1cc([C@@H](C)[NH2+]CCn2c(C)csc2=O)ccc1OCc1ccccc1 ZINC000179709693 822532390 /nfs/dbraw/zinc/53/23/90/822532390.db2.gz FOBSDKPBHFEGJC-QGZVFWFLSA-N 1 0 398.528 4.157 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)CCCNC(=O)c3ccsc3)cc2)C1 ZINC000046934484 822532584 /nfs/dbraw/zinc/53/25/84/822532584.db2.gz SXUWAONWBLAODJ-QGZVFWFLSA-N 1 0 399.560 4.129 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)CCCNC(=O)c3ccsc3)cc2)C1 ZINC000046934485 822532605 /nfs/dbraw/zinc/53/26/05/822532605.db2.gz SXUWAONWBLAODJ-KRWDZBQOSA-N 1 0 399.560 4.129 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1cccc(OC)c1OC(F)F)c1ccsc1 ZINC000046945778 822533496 /nfs/dbraw/zinc/53/34/96/822533496.db2.gz VKOVMXNYSIEKSN-HNNXBMFYSA-N 1 0 398.475 4.171 20 0 GIADRO Cc1noc(C)c1COc1ccccc1C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000046948812 822533523 /nfs/dbraw/zinc/53/35/23/822533523.db2.gz IOSAWKHKYDTGDQ-NRFANRHFSA-N 1 0 399.535 4.111 20 0 GIADRO CC[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccccc1OC)c1ccccc1OC(F)F ZINC000179722401 822535375 /nfs/dbraw/zinc/53/53/75/822535375.db2.gz PGYINJNBPMTQOF-WMLDXEAASA-N 1 0 392.446 4.215 20 0 GIADRO Cc1ccc(-c2cnc(CCC(=O)NCCCC[N@H+]3CCCC[C@@H]3C)o2)cc1 ZINC000046989772 822536065 /nfs/dbraw/zinc/53/60/65/822536065.db2.gz FFQBUVBJTQRCBO-IBGZPJMESA-N 1 0 383.536 4.353 20 0 GIADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000046997866 822536754 /nfs/dbraw/zinc/53/67/54/822536754.db2.gz UUYNNJOGJRNPKP-NHCUHLMSSA-N 1 0 387.483 4.365 20 0 GIADRO CC1CC[NH+](CCCCNC(=O)C2(c3ccc(Br)cc3)CC2)CC1 ZINC000047015621 822537821 /nfs/dbraw/zinc/53/78/21/822537821.db2.gz TVTDUQROLOIGPU-UHFFFAOYSA-N 1 0 393.369 4.109 20 0 GIADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[NH2+][C@@H](CCCO)c1ccccc1 ZINC000179737071 822538900 /nfs/dbraw/zinc/53/89/00/822538900.db2.gz ZJWNOPYRBJVEHI-IBGZPJMESA-N 1 0 395.330 4.055 20 0 GIADRO CCOc1ccccc1[C@@H](CC)[NH2+]Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000179737166 822539016 /nfs/dbraw/zinc/53/90/16/822539016.db2.gz CTBMTGZSQTUSCB-QGZVFWFLSA-N 1 0 383.460 4.323 20 0 GIADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2occc2COc2ccccc2)C1 ZINC000047039206 822539081 /nfs/dbraw/zinc/53/90/81/822539081.db2.gz YHVYCJSWBFKSPT-RTBURBONSA-N 1 0 384.520 4.347 20 0 GIADRO C[C@@H](NC(=O)N1CCC([NH+]2CCCC2)CC1)C(c1ccccc1)c1ccccc1 ZINC000047049414 822540259 /nfs/dbraw/zinc/54/02/59/822540259.db2.gz JBBRZQPAZKPBIX-HXUWFJFHSA-N 1 0 391.559 4.477 20 0 GIADRO O=C(Nc1ccccc1)C1CC[NH+](Cc2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000179744258 822541158 /nfs/dbraw/zinc/54/11/58/822541158.db2.gz FTSDSQFRMOIGLZ-UHFFFAOYSA-N 1 0 394.906 4.376 20 0 GIADRO O=C(Nc1ccccc1)C1CC[NH+](Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000179745001 822541390 /nfs/dbraw/zinc/54/13/90/822541390.db2.gz HISNEKLNMQSQBS-UHFFFAOYSA-N 1 0 378.451 4.067 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)/C=C/c1ccnc(Cl)c1)c1cccc(C(F)(F)F)c1 ZINC000183897732 822542401 /nfs/dbraw/zinc/54/24/01/822542401.db2.gz JKHRTLMYJMSNPA-MOEXGYKKSA-N 1 0 397.828 4.186 20 0 GIADRO CC[NH+](CC)Cc1cccc(N[C@@H](C)c2ccc(NS(C)(=O)=O)cc2)c1 ZINC000179750274 822542434 /nfs/dbraw/zinc/54/24/34/822542434.db2.gz LFQKIXRGZPZFPR-INIZCTEOSA-N 1 0 375.538 4.073 20 0 GIADRO CCN(C(=O)[C@@H](C)[NH+]1CCC(OCc2ccccc2OC)CC1)c1ccccc1 ZINC000179750296 822542479 /nfs/dbraw/zinc/54/24/79/822542479.db2.gz IHTCTAZKZJRMDR-LJQANCHMSA-N 1 0 396.531 4.118 20 0 GIADRO O=C(C1CC[NH+](Cc2ccc(OC(F)F)c(F)c2)CC1)N1CCCCCC1 ZINC000179752546 822543112 /nfs/dbraw/zinc/54/31/12/822543112.db2.gz FBFWUKYVEPUPAA-UHFFFAOYSA-N 1 0 384.442 4.042 20 0 GIADRO CCc1noc(C2CCC([NH2+]C[C@H](O)c3c(Cl)cccc3Cl)CC2)n1 ZINC000183904774 822543817 /nfs/dbraw/zinc/54/38/17/822543817.db2.gz GAEDKYHWAZFZJH-QOZQQMKHSA-N 1 0 384.307 4.288 20 0 GIADRO O=C(N[C@H](c1ccccc1)C1CCCCC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000047094856 822544199 /nfs/dbraw/zinc/54/41/99/822544199.db2.gz CVQUYMWYKPIQEM-JOCHJYFZSA-N 1 0 378.520 4.235 20 0 GIADRO CC(C)c1ccccc1NC(=O)C[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179758022 822544723 /nfs/dbraw/zinc/54/47/23/822544723.db2.gz QKIKPTFQYBLYAR-HSZRJFAPSA-N 1 0 380.488 4.261 20 0 GIADRO Cc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)c(Cl)c1 ZINC000179759710 822544897 /nfs/dbraw/zinc/54/48/97/822544897.db2.gz ANFXMWMFGZERNJ-CQSZACIVSA-N 1 0 385.895 4.286 20 0 GIADRO Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179759715 822544932 /nfs/dbraw/zinc/54/49/32/822544932.db2.gz PTRZMDPTICRKOL-NRFANRHFSA-N 1 0 386.879 4.099 20 0 GIADRO COc1ccccc1COC1CC[NH+](CCC(=O)Nc2ccccc2C)CC1 ZINC000179760598 822545122 /nfs/dbraw/zinc/54/51/22/822545122.db2.gz KWTRNJKGZSYNFC-UHFFFAOYSA-N 1 0 382.504 4.013 20 0 GIADRO O=C(N[C@H](c1ccccc1)c1ccc(F)cc1)N1CCC([NH+]2CCCC2)CC1 ZINC000047118013 822545431 /nfs/dbraw/zinc/54/54/31/822545431.db2.gz AAUZXHLYLDSLQU-JOCHJYFZSA-N 1 0 381.495 4.185 20 0 GIADRO C[C@H]([NH2+]CC(=O)N(C)[C@@H](C)c1ccc(F)cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000179761375 822545601 /nfs/dbraw/zinc/54/56/01/822545601.db2.gz JZVHXGNVLPGUHK-HOTGVXAUSA-N 1 0 397.494 4.044 20 0 GIADRO Cc1c(C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)[nH]c2c1C(=O)CCC2 ZINC000047121274 822545702 /nfs/dbraw/zinc/54/57/02/822545702.db2.gz CUKXADMCHHXXAQ-MRXNPFEDSA-N 1 0 393.531 4.147 20 0 GIADRO CC(C)c1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1 ZINC000179762810 822546327 /nfs/dbraw/zinc/54/63/27/822546327.db2.gz RDSKUUZROZDCLF-MRXNPFEDSA-N 1 0 379.504 4.448 20 0 GIADRO COC(=O)c1cc2cc(C[NH2+][C@@H](c3ccc4c(c3)OCCO4)C3CC3)ccc2o1 ZINC000179765428 822547475 /nfs/dbraw/zinc/54/74/75/822547475.db2.gz YPXGXMWMNRCLDC-JOCHJYFZSA-N 1 0 393.439 4.232 20 0 GIADRO CC[C@H](C)C(=O)Nc1cccc(CNC(=O)Nc2cccc(C[NH+](C)C)c2)c1 ZINC000047140331 822547906 /nfs/dbraw/zinc/54/79/06/822547906.db2.gz FVSPMQKKZRSXCL-INIZCTEOSA-N 1 0 382.508 4.055 20 0 GIADRO CC(=O)CCc1ccc(OCC(=O)Nc2cccc3c2C[N@H+](CC(C)C)C3)cc1 ZINC000179767093 822547942 /nfs/dbraw/zinc/54/79/42/822547942.db2.gz ODOFSRSUKTXVOD-UHFFFAOYSA-N 1 0 394.515 4.197 20 0 GIADRO Cc1nc(CSc2ccc(C(=O)NCC[N@H+]3CCCC[C@@H]3C)cc2)cs1 ZINC000047142966 822548085 /nfs/dbraw/zinc/54/80/85/822548085.db2.gz KHCPPXUGCYOHRP-HNNXBMFYSA-N 1 0 389.590 4.348 20 0 GIADRO CCCOc1ccc([C@H](C)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)cc1 ZINC000179768192 822548520 /nfs/dbraw/zinc/54/85/20/822548520.db2.gz PSUGSQJQPOCWCD-SFHVURJKSA-N 1 0 395.547 4.346 20 0 GIADRO COc1cc(CN2CCC[N@@H+](C3CCCC3)CC2)ccc1OCc1ccncc1 ZINC000179769286 822549012 /nfs/dbraw/zinc/54/90/12/822549012.db2.gz WBVHVJYFPPKRTA-UHFFFAOYSA-N 1 0 395.547 4.120 20 0 GIADRO Cc1cccc2c1[C@@H](C)C[C@@H]2Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000179772429 822549661 /nfs/dbraw/zinc/54/96/61/822549661.db2.gz TYKIERZHMOZNMN-JTSKRJEESA-N 1 0 377.532 4.353 20 0 GIADRO Cc1cccc(Cl)c1NC(=O)C[NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000179772821 822549803 /nfs/dbraw/zinc/54/98/03/822549803.db2.gz ULFRWUDNIQIPEP-AWEZNQCLSA-N 1 0 385.895 4.286 20 0 GIADRO Cc1c(Cl)cccc1NC(=O)C[NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000179774240 822550244 /nfs/dbraw/zinc/55/02/44/822550244.db2.gz GGFDTWAHPADHPC-AWEZNQCLSA-N 1 0 385.895 4.286 20 0 GIADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)N1C[C@@H](C(C)(C)C)c2ccccc21 ZINC000454885720 822550898 /nfs/dbraw/zinc/55/08/98/822550898.db2.gz FOAPOYAXOFXLQN-GOSISDBHSA-N 1 0 394.519 4.029 20 0 GIADRO 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 822552127 /nfs/dbraw/zinc/55/21/27/822552127.db2.gz MFZMFLGOMCHWIJ-CYGHRXIMSA-N 1 0 397.485 4.358 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000047187666 822552278 /nfs/dbraw/zinc/55/22/78/822552278.db2.gz YEVFJLUECSTPQP-IBGZPJMESA-N 1 0 393.531 4.323 20 0 GIADRO C[C@@](CO)([NH2+]Cc1nnc(-c2cc3c(s2)CCCC3)o1)C1CCCCC1 ZINC000183950180 822552520 /nfs/dbraw/zinc/55/25/20/822552520.db2.gz IDZGAJIYLMUGGE-FQEVSTJZSA-N 1 0 375.538 4.098 20 0 GIADRO Cc1ccc(NC(=O)NC(C)(C)CCC[NH+](C)C)c(-c2nc(C3CC3)no2)c1 ZINC000454899119 822553136 /nfs/dbraw/zinc/55/31/36/822553136.db2.gz ABDUGZCVFZFWCR-UHFFFAOYSA-N 1 0 385.512 4.164 20 0 GIADRO C[C@@H](NCC1(C[NH+](C)C)CCCC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000183953516 822553163 /nfs/dbraw/zinc/55/31/63/822553163.db2.gz PCZWSQRVGWZTFG-GOSISDBHSA-N 1 0 392.609 4.176 20 0 GIADRO CCC(CC)[C@H]([NH2+]Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)c1ccccc1 ZINC000179787666 822553168 /nfs/dbraw/zinc/55/31/68/822553168.db2.gz DUWGVGARQBFFNK-QFIPXVFZSA-N 1 0 395.503 4.207 20 0 GIADRO CCC(CC)[C@@H]([NH2+]Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)c1ccccc1 ZINC000179787681 822553178 /nfs/dbraw/zinc/55/31/78/822553178.db2.gz DUWGVGARQBFFNK-JOCHJYFZSA-N 1 0 395.503 4.207 20 0 GIADRO CC[NH+]1CCC(n2nccc2NC(=O)C[C@@H](C)Cc2ccc(Cl)cc2)CC1 ZINC000179789200 822553431 /nfs/dbraw/zinc/55/34/31/822553431.db2.gz DTWPXJJWAORFJM-INIZCTEOSA-N 1 0 388.943 4.401 20 0 GIADRO CCC(CC)[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)o1)c1ccccc1 ZINC000179792149 822553738 /nfs/dbraw/zinc/55/37/38/822553738.db2.gz ADAKHXNTHBPUON-NRFANRHFSA-N 1 0 390.549 4.331 20 0 GIADRO Cc1nn(Cc2ccccc2)c(C)c1C(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000047214297 822554939 /nfs/dbraw/zinc/55/49/39/822554939.db2.gz KFJZIKFJQMSAKW-OALUTQOASA-N 1 0 396.579 4.036 20 0 GIADRO CC(=O)OCCCc1cccc(NC(=O)c2cccc(C[NH+]3CCCC3)c2)c1 ZINC000183975273 822556497 /nfs/dbraw/zinc/55/64/97/822556497.db2.gz XLMZFDTVDXGDQD-UHFFFAOYSA-N 1 0 380.488 4.030 20 0 GIADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCC[C@H]1CCCCO1 ZINC000183986953 822558517 /nfs/dbraw/zinc/55/85/17/822558517.db2.gz FRGLPARYUDZYPL-WMLDXEAASA-N 1 0 383.330 4.105 20 0 GIADRO C[C@H]1CCCc2ccccc2[C@H]1NC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000183992106 822559641 /nfs/dbraw/zinc/55/96/41/822559641.db2.gz LJILWSGOIHQRJU-MBSDFSHPSA-N 1 0 392.547 4.059 20 0 GIADRO C[C@@H]([NH2+]CCC[C@H]1CCCCO1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000183998146 822560742 /nfs/dbraw/zinc/56/07/42/822560742.db2.gz CGZVRAMRGNCEBL-IEBWSBKVSA-N 1 0 379.566 4.403 20 0 GIADRO O=C(Nc1ccc(Cl)c(Br)c1)NC1CC[NH+](C2CCC2)CC1 ZINC000454949880 822562179 /nfs/dbraw/zinc/56/21/79/822562179.db2.gz XVQMTDDBQJSNST-UHFFFAOYSA-N 1 0 386.721 4.241 20 0 GIADRO CC[NH+](CC)CCOc1cc(NC(=O)N2CCC[C@H](C)[C@H]2C)ccc1OC ZINC000179831961 822562211 /nfs/dbraw/zinc/56/22/11/822562211.db2.gz AIKJNBORBOHSHB-DLBZAZTESA-N 1 0 377.529 4.068 20 0 GIADRO CC(C)[NH2+]C1CCN(Cc2cc(Br)cc(C(F)(F)F)c2)CC1 ZINC000179835991 822563231 /nfs/dbraw/zinc/56/32/31/822563231.db2.gz ATFLSVDZBZNWIG-UHFFFAOYSA-N 1 0 379.264 4.430 20 0 GIADRO O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)NCCCCC[NH+]1CCCCC1 ZINC000179839300 822563903 /nfs/dbraw/zinc/56/39/03/822563903.db2.gz HYPZGVAXXXAHPP-SFHVURJKSA-N 1 0 387.351 4.189 20 0 GIADRO CSC1(CNC(=O)N2CC3(CCCC3)[C@@H]2c2ccccc2)CC[NH+](C)CC1 ZINC000454970498 822564620 /nfs/dbraw/zinc/56/46/20/822564620.db2.gz KAKXPMYWRHOVNT-IBGZPJMESA-N 1 0 387.593 4.141 20 0 GIADRO O=C(Nc1ccc(OCc2ccccc2)cc1)N1CCC([NH+]2CCCC2)CC1 ZINC000047319672 822564891 /nfs/dbraw/zinc/56/48/91/822564891.db2.gz OGGCPFKARIRRNZ-UHFFFAOYSA-N 1 0 379.504 4.358 20 0 GIADRO Fc1ccc(COc2cccc(C[NH2+]Cc3cccnc3-n3cccn3)c2)cc1 ZINC000179846164 822565281 /nfs/dbraw/zinc/56/52/81/822565281.db2.gz OXQVDZZBPTXLLS-UHFFFAOYSA-N 1 0 388.446 4.275 20 0 GIADRO Cc1ccc(NC(=O)NCC2(C[NH+](C)C)CCCC2)cc1NC(=O)C(C)(C)C ZINC000184020540 822565540 /nfs/dbraw/zinc/56/55/40/822565540.db2.gz AWWQWIXQCALJSR-UHFFFAOYSA-N 1 0 388.556 4.223 20 0 GIADRO CSC1(CNC(=O)N[C@H]2CC[C@@H](c3cccc(Cl)c3)C2)CC[NH+](C)CC1 ZINC000454981287 822565717 /nfs/dbraw/zinc/56/57/17/822565717.db2.gz XHUXQUZEOYYPRR-AEFFLSMTSA-N 1 0 396.000 4.103 20 0 GIADRO Cc1cc(NC(=O)C2CC[NH+](Cc3ccc(OCCC(C)C)cc3)CC2)no1 ZINC000179857052 822567160 /nfs/dbraw/zinc/56/71/60/822567160.db2.gz MATUUWZBLNHSIE-UHFFFAOYSA-N 1 0 385.508 4.259 20 0 GIADRO O=C(Nc1ccc(Br)cc1F)N1CCC([NH+]2CCCCC2)CC1 ZINC000047335072 822567707 /nfs/dbraw/zinc/56/77/07/822567707.db2.gz SDZBUPJNDGJYFE-UHFFFAOYSA-N 1 0 384.293 4.070 20 0 GIADRO CS(=O)(=O)c1ccc(C[NH2+]Cc2cccc(OCc3ccc(F)cc3)c2)cc1 ZINC000179861738 822567986 /nfs/dbraw/zinc/56/79/86/822567986.db2.gz AOYHSRHKPSDCAT-UHFFFAOYSA-N 1 0 399.487 4.098 20 0 GIADRO O=C(NCC[C@@H](c1ccccc1)C(F)(F)F)NC1CC[NH+](C2CCC2)CC1 ZINC000455001246 822568234 /nfs/dbraw/zinc/56/82/34/822568234.db2.gz NYIFOHFBAWPZTC-SFHVURJKSA-N 1 0 383.458 4.039 20 0 GIADRO O=C(CCc1ccc2[nH]ccc2c1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000179881292 822571005 /nfs/dbraw/zinc/57/10/05/822571005.db2.gz BJNUAIBIVHGCRI-UHFFFAOYSA-N 1 0 379.479 4.020 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CCC[C@H]1C1CCCCC1 ZINC000047366982 822571242 /nfs/dbraw/zinc/57/12/42/822571242.db2.gz BUQLHKHQJXRRRH-QFIPXVFZSA-N 1 0 384.568 4.323 20 0 GIADRO O=C(Nc1cccc2cccnc21)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000047377041 822572435 /nfs/dbraw/zinc/57/24/35/822572435.db2.gz WUXLJFUGKMTYQZ-UHFFFAOYSA-N 1 0 378.451 4.160 20 0 GIADRO COc1ccccc1COc1cccc(NC(=O)NC(C)(C)C[NH+](C)C)c1C ZINC000455020895 822572672 /nfs/dbraw/zinc/57/26/72/822572672.db2.gz IPVXURCGLXQVEY-UHFFFAOYSA-N 1 0 385.508 4.044 20 0 GIADRO CCOc1cc(C[N@H+](C)[C@@H]2CCc3ccccc32)ccc1O[C@H](C)C(=O)N(C)C ZINC000179906468 822574757 /nfs/dbraw/zinc/57/47/57/822574757.db2.gz JBUHFTMKTOZEQK-DYESRHJHSA-N 1 0 396.531 4.060 20 0 GIADRO COc1ccc(C(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)c(OC)c1OC ZINC000047402071 822575550 /nfs/dbraw/zinc/57/55/50/822575550.db2.gz CBDVQZUOWOHVFC-UHFFFAOYSA-N 1 0 398.503 4.197 20 0 GIADRO CC1CC[NH+](Cc2ccc(NC(=O)c3ccc(N4CCCC4=O)cc3)cc2)CC1 ZINC000047402089 822575632 /nfs/dbraw/zinc/57/56/32/822575632.db2.gz SUTUKXLROXCOSC-UHFFFAOYSA-N 1 0 391.515 4.298 20 0 GIADRO COc1ccc([C@@H](C)C[NH+]2CCC(C(=O)NCc3ccc(C)cc3)CC2)cc1 ZINC000179913541 822575858 /nfs/dbraw/zinc/57/58/58/822575858.db2.gz AYWHPKFKORCAOE-IBGZPJMESA-N 1 0 380.532 4.136 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CCCc2nc(-c3ccc(F)cc3)no2)c1 ZINC000184092608 822576725 /nfs/dbraw/zinc/57/67/25/822576725.db2.gz PDUBBIIDEXTLFS-CQSZACIVSA-N 1 0 382.439 4.118 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)c2cnn(Cc3ccccc3)c2C)CC1 ZINC000184095001 822576896 /nfs/dbraw/zinc/57/68/96/822576896.db2.gz CZBHPLQSKDFSEE-UHFFFAOYSA-N 1 0 396.579 4.214 20 0 GIADRO C[C@@H]([NH2+]CCCc1nc(-c2ccc(F)cc2)no1)c1nc2ccccc2n1C ZINC000184097037 822577397 /nfs/dbraw/zinc/57/73/97/822577397.db2.gz FZSPQWFBFXIPOO-CQSZACIVSA-N 1 0 379.439 4.046 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2cccnc2C(F)(F)F)CC1 ZINC000179929812 822578820 /nfs/dbraw/zinc/57/88/20/822578820.db2.gz PJXGOVSISYGKJE-OAHLLOKOSA-N 1 0 383.458 4.217 20 0 GIADRO Cc1ccc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1NC(=O)c1ccccc1 ZINC000047440009 822579293 /nfs/dbraw/zinc/57/92/93/822579293.db2.gz LBHKRHTZZXBSAR-UHFFFAOYSA-N 1 0 393.531 4.286 20 0 GIADRO O=C(c1cc(-c2ccccc2Cl)on1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000047444173 822579802 /nfs/dbraw/zinc/57/98/02/822579802.db2.gz NPWIZKNKVMDTCK-UHFFFAOYSA-N 1 0 395.890 4.343 20 0 GIADRO COC[C@H]1CCCN(C(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)CC1 ZINC000455048014 822579896 /nfs/dbraw/zinc/57/98/96/822579896.db2.gz ACUHPJMMZVBLQK-NRFANRHFSA-N 1 0 387.568 4.241 20 0 GIADRO CC(C)(C)CC(=O)NCCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000047460957 822581433 /nfs/dbraw/zinc/58/14/33/822581433.db2.gz YCPAZTREDAUVNG-UHFFFAOYSA-N 1 0 399.501 4.160 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)c2ccccc2NC(=O)c2cccs2)c1 ZINC000047460325 822581439 /nfs/dbraw/zinc/58/14/39/822581439.db2.gz WAWKLIHKJPZMMF-UHFFFAOYSA-N 1 0 379.485 4.314 20 0 GIADRO Cc1cc(NC(=O)C2CC2)sc1C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000047460070 822581537 /nfs/dbraw/zinc/58/15/37/822581537.db2.gz VZLDSDZOBQCBSB-UHFFFAOYSA-N 1 0 383.517 4.253 20 0 GIADRO CCCc1ncc(CNC(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)o1 ZINC000455066871 822583857 /nfs/dbraw/zinc/58/38/57/822583857.db2.gz XGSVLZFGFJKCHS-UHFFFAOYSA-N 1 0 384.524 4.223 20 0 GIADRO Cn1cc([C@@H](NC[C@@H](c2cccs2)[NH+]2CCCC2)c2cccc(F)c2)cn1 ZINC000179961068 822586100 /nfs/dbraw/zinc/58/61/00/822586100.db2.gz NXRHUXKCWDLPTQ-FPOVZHCZSA-N 1 0 384.524 4.137 20 0 GIADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)Nc3ccc(Br)c4ccccc34)C2)C1 ZINC000455081335 822586783 /nfs/dbraw/zinc/58/67/83/822586783.db2.gz ZFFBBDHTXHUWBF-LJQANCHMSA-N 1 0 388.309 4.162 20 0 GIADRO CC(C)S(=O)(=O)CCC[NH2+][C@@H](C)c1ccc(Oc2ccccc2)c(F)c1 ZINC000179967117 822587112 /nfs/dbraw/zinc/58/71/12/822587112.db2.gz SQTAEIAMUAWABG-INIZCTEOSA-N 1 0 379.497 4.482 20 0 GIADRO COc1cccc([C@@H](C[NH2+][C@@H](C)c2nc3ccc(Cl)cc3n2C)N(C)C)c1 ZINC000179968556 822587586 /nfs/dbraw/zinc/58/75/86/822587586.db2.gz IUKQYHKTPSTRDZ-VBKZILBWSA-N 1 0 386.927 4.189 20 0 GIADRO Cc1ncc([C@H](C)[NH2+][C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)s1 ZINC000179972138 822588251 /nfs/dbraw/zinc/58/82/51/822588251.db2.gz ZQHWMXIYMPJQIT-BLLLJJGKSA-N 1 0 397.466 4.312 20 0 GIADRO CC1(C)CN(C(=O)Nc2ccc(F)cn2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000455100352 822588931 /nfs/dbraw/zinc/58/89/31/822588931.db2.gz MVSYPSXNJFLKLG-NRFANRHFSA-N 1 0 396.510 4.375 20 0 GIADRO CC(C)C[C@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1cccc(C(F)(F)F)c1 ZINC000179977102 822589026 /nfs/dbraw/zinc/58/90/26/822589026.db2.gz GJADUBBMFCFBRA-ROUUACIJSA-N 1 0 387.442 4.304 20 0 GIADRO Cc1cc(Br)cc(C)c1NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000047550391 822589975 /nfs/dbraw/zinc/58/99/75/822589975.db2.gz WZRBGRZPPAARQH-UHFFFAOYSA-N 1 0 380.330 4.158 20 0 GIADRO CC1(C)Oc2ccc(NC(=O)NC3CC[NH+](Cc4ccc(F)cc4)CC3)cc2O1 ZINC000047552061 822590227 /nfs/dbraw/zinc/59/02/27/822590227.db2.gz OQTNANYPMALAQJ-UHFFFAOYSA-N 1 0 399.466 4.119 20 0 GIADRO Fc1ccc(-c2noc(CCC[NH2+]Cc3c(C4CC4)nc4sccn34)n2)cc1 ZINC000184171274 822590332 /nfs/dbraw/zinc/59/03/32/822590332.db2.gz AEVDYURAHAPMRK-UHFFFAOYSA-N 1 0 397.479 4.185 20 0 GIADRO Cc1ccc(C)c(OC2CCN(C(=O)NCCCCC[NH+]3CCCC3)CC2)c1 ZINC000455115729 822591101 /nfs/dbraw/zinc/59/11/01/822591101.db2.gz MXGNXKCWJBUBLX-UHFFFAOYSA-N 1 0 387.568 4.122 20 0 GIADRO Cc1ccc(NC(=S)NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000047567478 822591471 /nfs/dbraw/zinc/59/14/71/822591471.db2.gz ITSRVYKSAKJJDZ-HDICACEKSA-N 1 0 383.561 4.091 20 0 GIADRO C[C@@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1ccc(-c2ccccc2F)s1 ZINC000179989662 822591766 /nfs/dbraw/zinc/59/17/66/822591766.db2.gz PEHLQNLOPJTBKA-HUUCEWRRSA-N 1 0 377.481 4.127 20 0 GIADRO C[C@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1ccc(-c2ccccc2F)s1 ZINC000179989676 822591768 /nfs/dbraw/zinc/59/17/68/822591768.db2.gz PEHLQNLOPJTBKA-GJZGRUSLSA-N 1 0 377.481 4.127 20 0 GIADRO CC[C@@H](Nc1cc(C[NH+](C)C)ccc1C)c1ccccc1OCC(=O)N(C)C ZINC000179992490 822592221 /nfs/dbraw/zinc/59/22/21/822592221.db2.gz JWEYYUGUKOCANZ-HXUWFJFHSA-N 1 0 383.536 4.087 20 0 GIADRO CC(F)(F)CCCNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000455126865 822593083 /nfs/dbraw/zinc/59/30/83/822593083.db2.gz MSOMYHQPWJVNFX-RTBURBONSA-N 1 0 379.495 4.118 20 0 GIADRO CC[C@H]1Oc2cc([C@H](C)[NH2+]CC(=O)Nc3c(C)cc(C)cc3C)ccc2NC1=O ZINC000180005333 822594219 /nfs/dbraw/zinc/59/42/19/822594219.db2.gz UCCTZKYQMROPMK-QFBILLFUSA-N 1 0 395.503 4.011 20 0 GIADRO [NH3+]CC1(CC(=O)Nc2cccc(C[S@@](=O)c3ccccc3)c2)CCCCC1 ZINC000184199922 822594935 /nfs/dbraw/zinc/59/49/35/822594935.db2.gz BQMMIXUJYHMBKP-HHHXNRCGSA-N 1 0 384.545 4.232 20 0 GIADRO CCOc1ccc(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1Cl ZINC000047601124 822595352 /nfs/dbraw/zinc/59/53/52/822595352.db2.gz WGPJEEKKBJOENC-MRXNPFEDSA-N 1 0 377.872 4.290 20 0 GIADRO CSCc1ccccc1NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000455140272 822595799 /nfs/dbraw/zinc/59/57/99/822595799.db2.gz NLPJRLDUXHCWKI-UHFFFAOYSA-N 1 0 389.487 4.430 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(Cn2ccnc2)cc1)c1nc2ccc(Cl)cc2n1C ZINC000180011449 822596031 /nfs/dbraw/zinc/59/60/31/822596031.db2.gz LKZCROZXJGRWIF-HNNXBMFYSA-N 1 0 379.895 4.322 20 0 GIADRO Cc1c(N[C@H](C)c2cccc(OCC[NH+](C)C)c2)cccc1N1CCOC1=O ZINC000180012239 822596170 /nfs/dbraw/zinc/59/61/70/822596170.db2.gz VOFIXJUUYMXUJV-QGZVFWFLSA-N 1 0 383.492 4.065 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cc(F)ccc2F)cc1OC ZINC000047609075 822596549 /nfs/dbraw/zinc/59/65/49/822596549.db2.gz UEZFBDKWFRIYEF-CHWSQXEVSA-N 1 0 378.419 4.050 20 0 GIADRO C[NH+]1CCC(N[C@@H](c2ccccc2)c2cc(Br)ccc2F)CC1 ZINC000180013468 822596609 /nfs/dbraw/zinc/59/66/09/822596609.db2.gz WJXWSHCJBVQWIB-IBGZPJMESA-N 1 0 377.301 4.361 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(F)c(F)c2)cc1OC ZINC000047609052 822596585 /nfs/dbraw/zinc/59/65/85/822596585.db2.gz ILBSDIBKMWQNQL-STQMWFEESA-N 1 0 378.419 4.050 20 0 GIADRO COc1ccc(NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)cc1OC(C)C ZINC000184210442 822596659 /nfs/dbraw/zinc/59/66/59/822596659.db2.gz WNOQFNAVAAVFAS-KRWDZBQOSA-N 1 0 377.529 4.259 20 0 GIADRO C[C@H]1C[C@H](NC(=O)NCc2ccc(C(F)F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000184210410 822596685 /nfs/dbraw/zinc/59/66/85/822596685.db2.gz JCRWPMQFTCMPIS-OXJNMPFZSA-N 1 0 387.474 4.477 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(-c4cnco4)cc3)c(C)c2)CC1 ZINC000047609761 822596789 /nfs/dbraw/zinc/59/67/89/822596789.db2.gz KGIWPSLCRRDRPV-UHFFFAOYSA-N 1 0 390.487 4.044 20 0 GIADRO CC(C)CS(=O)(=O)N1CCC([NH2+][C@@H](C)c2ccc(SC(C)C)cc2)CC1 ZINC000180017036 822597242 /nfs/dbraw/zinc/59/72/42/822597242.db2.gz CXZMJRSELFGUBR-KRWDZBQOSA-N 1 0 398.638 4.288 20 0 GIADRO COc1ccc([C@H]([NH2+]Cc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)C(C)C)cc1 ZINC000180020583 822598151 /nfs/dbraw/zinc/59/81/51/822598151.db2.gz CUUPVUWJJFXIFF-PMAPCBKXSA-N 1 0 383.536 4.191 20 0 GIADRO Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)CC1(C[NH3+])CCCCC1 ZINC000184219743 822598208 /nfs/dbraw/zinc/59/82/08/822598208.db2.gz LASFRILTNNDIIT-KRWDZBQOSA-N 1 0 394.991 4.464 20 0 GIADRO CC(C)CS(=O)(=O)N1CCC([NH2+][C@@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000180024666 822599126 /nfs/dbraw/zinc/59/91/26/822599126.db2.gz MQGYYKVHELQBPJ-ZDUSSCGKSA-N 1 0 393.380 4.094 20 0 GIADRO COc1cc(C)c(NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)cc1F ZINC000455164996 822600341 /nfs/dbraw/zinc/60/03/41/822600341.db2.gz QDQYENDBELCSLD-UHFFFAOYSA-N 1 0 391.409 4.023 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCCCC1(F)F ZINC000455164498 822600368 /nfs/dbraw/zinc/60/03/68/822600368.db2.gz JZMHNYSGFHBZRE-UXHICEINSA-N 1 0 393.522 4.366 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCCCC1(F)F ZINC000455164500 822600446 /nfs/dbraw/zinc/60/04/46/822600446.db2.gz JZMHNYSGFHBZRE-VQTJNVASSA-N 1 0 393.522 4.366 20 0 GIADRO CC[NH+]1CCC(NC(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2)CC1 ZINC000047704801 822601348 /nfs/dbraw/zinc/60/13/48/822601348.db2.gz LXFNVRKTMWZWMR-NRFANRHFSA-N 1 0 390.531 4.083 20 0 GIADRO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)NC(=O)CO2)CC3 ZINC000180043902 822603315 /nfs/dbraw/zinc/60/33/15/822603315.db2.gz VELFTTXSPCTNHE-HOCLYGCPSA-N 1 0 375.472 4.015 20 0 GIADRO CCOc1cc(C[NH2+][C@H](C)c2ccc(NC(=O)NC(C)C)cc2)ccc1OC ZINC000047723386 822603946 /nfs/dbraw/zinc/60/39/46/822603946.db2.gz HEBBNNPGVHUWCM-MRXNPFEDSA-N 1 0 385.508 4.475 20 0 GIADRO COc1ccccc1S(=O)(=O)CCC[NH2+][C@@H](c1ccc(F)cc1)C1CCC1 ZINC000184254939 822604013 /nfs/dbraw/zinc/60/40/13/822604013.db2.gz ZIZSKHMSKPOVML-OAQYLSRUSA-N 1 0 391.508 4.129 20 0 GIADRO C[C@@H](C[S@](C)=O)[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccc(Cl)c1 ZINC000184257617 822604496 /nfs/dbraw/zinc/60/44/96/822604496.db2.gz XWCUSLSOGBUAIK-HAWMADMCSA-N 1 0 387.936 4.049 20 0 GIADRO C[NH+](C)C1(CNC(=O)NCc2cccc(COCc3ccco3)c2)CCCCC1 ZINC000047746038 822605631 /nfs/dbraw/zinc/60/56/31/822605631.db2.gz BZTJYAWMAMFPQD-UHFFFAOYSA-N 1 0 399.535 4.060 20 0 GIADRO C[C@@H]([NH2+][C@@H](CCc1ccccc1)c1ccccc1)c1ccc(S(N)(=O)=O)cc1 ZINC000180061664 822606676 /nfs/dbraw/zinc/60/66/76/822606676.db2.gz JRXVBYZCOSPJNR-JPYJTQIMSA-N 1 0 394.540 4.359 20 0 GIADRO CC[C@@H](C)n1ncc(C(=O)Nc2cccc(N3CC[NH+](CC)CC3)c2)c1C1CC1 ZINC000184279858 822607790 /nfs/dbraw/zinc/60/77/90/822607790.db2.gz HTLKYBCYEKAPCG-QGZVFWFLSA-N 1 0 395.551 4.126 20 0 GIADRO C[C@H](C[S@@](C)=O)[NH2+][C@H](c1ccc(Cl)cc1)c1ccc(OC(F)F)cc1 ZINC000184287480 822608941 /nfs/dbraw/zinc/60/89/41/822608941.db2.gz RSCKZFBHHMVKHH-BXRFGHFPSA-N 1 0 387.879 4.387 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)c3cc(C)c(F)cc3Cl)c2)CC1 ZINC000184287215 822608996 /nfs/dbraw/zinc/60/89/96/822608996.db2.gz SXACQQAIMYBKTR-UHFFFAOYSA-N 1 0 375.875 4.182 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1cnn(Cc2ccc(Cl)cc2)c1 ZINC000180072446 822609773 /nfs/dbraw/zinc/60/97/73/822609773.db2.gz OFDNZQXHKXAVQS-VGSWGCGISA-N 1 0 395.938 4.302 20 0 GIADRO CC(C)Oc1ccc(NC(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)c(Cl)c1 ZINC000455227052 822612549 /nfs/dbraw/zinc/61/25/49/822612549.db2.gz SLSBIAGUIKDUSZ-OAHLLOKOSA-N 1 0 379.932 4.465 20 0 GIADRO C[C@H](C(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1cn(C)c2ccccc12 ZINC000184311579 822612570 /nfs/dbraw/zinc/61/25/70/822612570.db2.gz CLWSBSWCLKOHOV-KRWDZBQOSA-N 1 0 393.556 4.469 20 0 GIADRO Cc1ccccc1[C@@H]([NH2+]CC(=O)Nc1cccc(C(=O)N(C)C)c1)C(C)(C)C ZINC000180087489 822612604 /nfs/dbraw/zinc/61/26/04/822612604.db2.gz AICVKCXZSHDFAJ-OAQYLSRUSA-N 1 0 381.520 4.012 20 0 GIADRO COc1ccc(C[NH2+][C@H](C)c2ccc3c(c2)CCC(=O)N3)cc1OCC(C)C ZINC000047827512 822612929 /nfs/dbraw/zinc/61/29/29/822612929.db2.gz RIUADFUIMZRVLM-MRXNPFEDSA-N 1 0 382.504 4.466 20 0 GIADRO C[NH+]1CCN(c2cccc(Cl)c2CNc2ccc(NC(=O)C3CC3)cc2)CC1 ZINC000180089634 822613019 /nfs/dbraw/zinc/61/30/19/822613019.db2.gz QDWUECXRMUORGE-UHFFFAOYSA-N 1 0 398.938 4.052 20 0 GIADRO C[C@H](NC(=O)NC[C@@H](c1cccs1)[NH+](C)C)c1cccc(OC(F)F)c1 ZINC000047832230 822613301 /nfs/dbraw/zinc/61/33/01/822613301.db2.gz QNYNZTZMEDXNRB-WFASDCNBSA-N 1 0 383.464 4.013 20 0 GIADRO C[C@@H](NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)c1cccc(OC(F)F)c1 ZINC000047871755 822615365 /nfs/dbraw/zinc/61/53/65/822615365.db2.gz GESBCHFVFGWKPP-RHSMWYFYSA-N 1 0 393.434 4.078 20 0 GIADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N[C@@H]1CCSc2ccccc21 ZINC000047868620 822615422 /nfs/dbraw/zinc/61/54/22/822615422.db2.gz UZNORQRCIBXOMR-IAGOWNOFSA-N 1 0 387.574 4.421 20 0 GIADRO Cc1cccc(Oc2ccccc2C[NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)c1 ZINC000180101664 822615493 /nfs/dbraw/zinc/61/54/93/822615493.db2.gz YKPAEAHXNRSJLJ-QGZVFWFLSA-N 1 0 396.512 4.286 20 0 GIADRO CCc1ccc(C(C)(C)[NH2+]CC(=O)N[C@H](c2nccs2)c2ccccc2)cc1 ZINC000180105506 822616093 /nfs/dbraw/zinc/61/60/93/822616093.db2.gz LFBCHDYMOPRLRS-NRFANRHFSA-N 1 0 393.556 4.436 20 0 GIADRO CC(C)[NH+]1CCC(NC(=O)NCc2cccc(COCc3ccccc3)c2)CC1 ZINC000047884149 822616250 /nfs/dbraw/zinc/61/62/50/822616250.db2.gz HMEVHJKDDAWDIB-UHFFFAOYSA-N 1 0 395.547 4.075 20 0 GIADRO CC(C)Oc1ccccc1[C@@H](C)NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000047882478 822616323 /nfs/dbraw/zinc/61/63/23/822616323.db2.gz XRHBVPQGVTUGAU-IEBWSBKVSA-N 1 0 385.508 4.264 20 0 GIADRO CC[NH+](CC)[C@@H](CN[C@H](c1cnn(C)c1)c1cccc(F)c1)c1ccsc1 ZINC000180107271 822616498 /nfs/dbraw/zinc/61/64/98/822616498.db2.gz WEJKUZBTJQMTAJ-SFTDATJTSA-N 1 0 386.540 4.383 20 0 GIADRO Cc1c2ccccc2oc1[C@H]([NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1)C(C)C ZINC000180109613 822617303 /nfs/dbraw/zinc/61/73/03/822617303.db2.gz OHTRXYLCFYVDFO-MGPUTAFESA-N 1 0 386.517 4.437 20 0 GIADRO C[N@@H+]1CC[C@]2(CCN(C(=O)Nc3cc(Cl)ccc3OCC3CCC3)C2)C1 ZINC000455249382 822617568 /nfs/dbraw/zinc/61/75/68/822617568.db2.gz IGFZZFJAXAUMJA-FQEVSTJZSA-N 1 0 377.916 4.078 20 0 GIADRO COc1ccc2oc([C@H](C)[NH2+]CC(=O)N3CCC[C@H](C(F)(F)F)C3)c(C)c2c1 ZINC000184342207 822618712 /nfs/dbraw/zinc/61/87/12/822618712.db2.gz VXTHRMYENYWESY-KBPBESRZSA-N 1 0 398.425 4.201 20 0 GIADRO COc1cc(-c2noc(C[N@H+]([C@H](C)C3CC3)C3CC3)n2)ccc1OC(F)F ZINC000047909265 822618849 /nfs/dbraw/zinc/61/88/49/822618849.db2.gz AKITUCOBTIPYCP-LLVKDONJSA-N 1 0 379.407 4.110 20 0 GIADRO C[C@H]([NH2+][C@H]1CCN(c2ccccc2OC(F)F)C1)c1nc2ccccc2n1C ZINC000180120043 822619284 /nfs/dbraw/zinc/61/92/84/822619284.db2.gz LLSUYUVJBYGMMM-GJZGRUSLSA-N 1 0 386.446 4.104 20 0 GIADRO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc1Oc1ccncc1 ZINC000180122071 822619705 /nfs/dbraw/zinc/61/97/05/822619705.db2.gz GBTQGSDXVJAMMO-FYYLOGMGSA-N 1 0 387.483 4.358 20 0 GIADRO C[C@H](NC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)c1ccc(OC(F)F)cc1 ZINC000047936042 822620855 /nfs/dbraw/zinc/62/08/55/822620855.db2.gz ISCJZGXJDNBJJV-SCLBCKFNSA-N 1 0 395.425 4.090 20 0 GIADRO Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000047949012 822622172 /nfs/dbraw/zinc/62/21/72/822622172.db2.gz BKFPVWRJJMRKJU-SFHVURJKSA-N 1 0 394.519 4.243 20 0 GIADRO O=C(NCc1ncc(-c2ccccc2)o1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000047956418 822622329 /nfs/dbraw/zinc/62/23/29/822622329.db2.gz XFMUFFMTYLKYPX-QGZVFWFLSA-N 1 0 396.516 4.039 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)Nc2ccc(Br)cc2F)CC1 ZINC000048051967 822627222 /nfs/dbraw/zinc/62/72/22/822627222.db2.gz AQVVFYQHEMHJDG-UHFFFAOYSA-N 1 0 386.309 4.172 20 0 GIADRO C[C@@H]([NH2+][C@@H](c1cccc(F)c1)C1CCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000180151974 822627605 /nfs/dbraw/zinc/62/76/05/822627605.db2.gz NYVWAPIJSBDMHF-JLTOFOAXSA-N 1 0 376.497 4.055 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)Nc1ccc(Oc2cccc(F)c2F)nc1 ZINC000455286605 822627778 /nfs/dbraw/zinc/62/77/78/822627778.db2.gz VZMZKMIIMQNHOK-UHFFFAOYSA-N 1 0 392.450 4.394 20 0 GIADRO Cc1cc(N2CCCC2)ccc1NC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000048055772 822627844 /nfs/dbraw/zinc/62/78/44/822627844.db2.gz FWBCRYBFXVALNF-NRFANRHFSA-N 1 0 384.499 4.159 20 0 GIADRO C[C@@H]([NH2+][C@@H](c1ccc(F)cc1F)C(C)(C)C)c1ccc(S(N)(=O)=O)cc1 ZINC000180152945 822628076 /nfs/dbraw/zinc/62/80/76/822628076.db2.gz RFPWIILEISGLEN-XIKOKIGWSA-N 1 0 382.476 4.050 20 0 GIADRO Cc1c(NC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)cccc1N(C)C ZINC000180159282 822629455 /nfs/dbraw/zinc/62/94/55/822629455.db2.gz KMLLLNKYLGEVNB-UHFFFAOYSA-N 1 0 394.563 4.437 20 0 GIADRO COc1cc(-c2noc(CCCCC[NH2+][C@H](C)c3cncc(C)c3)n2)ccc1O ZINC000184405785 822629498 /nfs/dbraw/zinc/62/94/98/822629498.db2.gz ALBGRSHAWZLGKE-MRXNPFEDSA-N 1 0 396.491 4.218 20 0 GIADRO Cc1cncc([C@@H](C)[NH2+]CCC(=O)Nc2cc(Br)ccc2C)c1 ZINC000184405258 822629500 /nfs/dbraw/zinc/62/95/00/822629500.db2.gz HCFLTICCQFGPIO-CQSZACIVSA-N 1 0 376.298 4.140 20 0 GIADRO Cc1cc(C)c(CC(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)c(C)c1 ZINC000180165819 822630813 /nfs/dbraw/zinc/63/08/13/822630813.db2.gz RGPYDLDNSOZVEN-OAQYLSRUSA-N 1 0 394.559 4.171 20 0 GIADRO Cc1c(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cnn1-c1ccccc1Cl ZINC000180166162 822630830 /nfs/dbraw/zinc/63/08/30/822630830.db2.gz GYVOTCIPWBJVLN-PZJWPPBQSA-N 1 0 394.906 4.009 20 0 GIADRO Cc1ccc(C(=O)CCCC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000184415022 822630916 /nfs/dbraw/zinc/63/09/16/822630916.db2.gz BJALSSLJFWYGML-UHFFFAOYSA-N 1 0 392.543 4.437 20 0 GIADRO O=C(Cc1ccc(OC(F)(F)F)cc1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000048091013 822630979 /nfs/dbraw/zinc/63/09/79/822630979.db2.gz PEIQTELFZBGLDZ-MRXNPFEDSA-N 1 0 398.450 4.143 20 0 GIADRO Cc1c(NC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cccc1N(C)C ZINC000180166695 822630995 /nfs/dbraw/zinc/63/09/95/822630995.db2.gz ZHEIUAWCGNQFTG-HXUWFJFHSA-N 1 0 380.536 4.047 20 0 GIADRO C[N@@H+]1CC[C@H](NC(=O)CCc2cc(Br)cs2)[C@@H]1c1ccccc1 ZINC000180178722 822633365 /nfs/dbraw/zinc/63/33/65/822633365.db2.gz SEVWPBVJNANTRO-WMZOPIPTSA-N 1 0 393.350 4.005 20 0 GIADRO Cc1nc(-c2ccccc2NC(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)cs1 ZINC000455316717 822633439 /nfs/dbraw/zinc/63/34/39/822633439.db2.gz DNKHOWNWQUHAEZ-OAHLLOKOSA-N 1 0 384.549 4.457 20 0 GIADRO COCCCOC1CC[NH+](Cc2ccc(Br)c3cccnc23)CC1 ZINC000180180354 822633796 /nfs/dbraw/zinc/63/37/96/822633796.db2.gz QXOAXROZZMMKNS-UHFFFAOYSA-N 1 0 393.325 4.015 20 0 GIADRO CN(Cc1ccccc1NC(=O)NCCCC[N@H+](C)C1CC1)c1ccccc1 ZINC000455325166 822634578 /nfs/dbraw/zinc/63/45/78/822634578.db2.gz OMIIIDCPDWOSAG-UHFFFAOYSA-N 1 0 380.536 4.319 20 0 GIADRO C[C@H]([NH2+][C@H](c1ccc(Cl)cc1)[C@@H]1C[C@@H]1C)c1ccc(S(N)(=O)=O)cc1 ZINC000180185110 822634739 /nfs/dbraw/zinc/63/47/39/822634739.db2.gz SLQRIBZGTXMXJZ-MBZVMHRFSA-N 1 0 378.925 4.035 20 0 GIADRO Cc1ccccc1[C@H](OC[C@@H](O)C[NH2+][C@@H](C)c1nccs1)c1ccccc1 ZINC000184438712 822635309 /nfs/dbraw/zinc/63/53/09/822635309.db2.gz HVNWNZRGGSKMDE-HFSMHLIXSA-N 1 0 382.529 4.269 20 0 GIADRO CC[C@H](c1ccncc1)N(C)C(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000455343294 822637551 /nfs/dbraw/zinc/63/75/51/822637551.db2.gz ZGCOHWJGVVXAGD-OAQYLSRUSA-N 1 0 380.536 4.229 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1ccc(N2CCCC2)c(F)c1 ZINC000048139351 822637824 /nfs/dbraw/zinc/63/78/24/822637824.db2.gz XHJZDXKYMOQSTR-QGZVFWFLSA-N 1 0 376.520 4.202 20 0 GIADRO CCOc1ccc(NC(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCC2)c(C)c1 ZINC000048142612 822638441 /nfs/dbraw/zinc/63/84/41/822638441.db2.gz DIUQLPAPQKWHDA-OAQYLSRUSA-N 1 0 397.519 4.361 20 0 GIADRO Cc1cncc([C@@H](C)[NH2+][C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)c1 ZINC000184456253 822638573 /nfs/dbraw/zinc/63/85/73/822638573.db2.gz LJFGCAZXPYWRCJ-BEFAXECRSA-N 1 0 391.437 4.251 20 0 GIADRO O=C(c1ccccc1)N1CCC([NH2+]Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000180202507 822638646 /nfs/dbraw/zinc/63/86/46/822638646.db2.gz VIWVTAWEFPPLAE-UHFFFAOYSA-N 1 0 380.385 4.239 20 0 GIADRO OC1CC[NH+](CCCN[C@H](c2ccccc2Cl)c2cc(F)ccc2F)CC1 ZINC000180211722 822640251 /nfs/dbraw/zinc/64/02/51/822640251.db2.gz CFHNROZQMODBSS-OAQYLSRUSA-N 1 0 394.893 4.144 20 0 GIADRO OC1CC[NH+](CCCN[C@H](c2cccc(F)c2)c2cccc(Cl)c2)CC1 ZINC000180212619 822640678 /nfs/dbraw/zinc/64/06/78/822640678.db2.gz LMUABZFOFCUSTM-NRFANRHFSA-N 1 0 376.903 4.005 20 0 GIADRO C[C@@H](COc1ccc(F)cc1F)[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000180224250 822642884 /nfs/dbraw/zinc/64/28/84/822642884.db2.gz RUAUZJALVSPXKC-JEYLPNPQSA-N 1 0 384.467 4.158 20 0 GIADRO O=C(CCCc1nc2ccccc2s1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180228269 822643762 /nfs/dbraw/zinc/64/37/62/822643762.db2.gz NNWYIVBKTLPABQ-UHFFFAOYSA-N 1 0 394.544 4.047 20 0 GIADRO O=C(Nc1cc(Cl)ccn1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000455397003 822646373 /nfs/dbraw/zinc/64/63/73/822646373.db2.gz NZPPNNFZNJLCMB-UHFFFAOYSA-N 1 0 384.911 4.255 20 0 GIADRO C[C@H]([NH2+]C1(CNC(=O)c2ncccc2C(F)(F)F)CCCC1)c1ccccc1 ZINC000180240629 822646410 /nfs/dbraw/zinc/64/64/10/822646410.db2.gz ILFKDKGFQLETKP-HNNXBMFYSA-N 1 0 391.437 4.494 20 0 GIADRO Cn1cc(C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)c(-c2ccccc2)n1 ZINC000180241227 822646677 /nfs/dbraw/zinc/64/66/77/822646677.db2.gz KRDCSVUQMHTWIJ-UHFFFAOYSA-N 1 0 377.488 4.332 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(OC)c(OC(F)F)c1)c1ccsc1 ZINC000048228585 822647005 /nfs/dbraw/zinc/64/70/05/822647005.db2.gz NJFQNVWKCOUFLD-HNNXBMFYSA-N 1 0 398.475 4.171 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)COCc1ccccc1F)c1nc(-c2ccccc2)cs1 ZINC000184515626 822648819 /nfs/dbraw/zinc/64/88/19/822648819.db2.gz XPVSUILHMPURTR-CRAIPNDOSA-N 1 0 386.492 4.178 20 0 GIADRO CCOC[C@H]1CCC[N@H+](Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000180258306 822649620 /nfs/dbraw/zinc/64/96/20/822649620.db2.gz XOPVFCJADWDAMM-ZDUSSCGKSA-N 1 0 378.257 4.299 20 0 GIADRO Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000048267784 822649873 /nfs/dbraw/zinc/64/98/73/822649873.db2.gz SBAZMOHLCIGYMC-GJZGRUSLSA-N 1 0 393.597 4.139 20 0 GIADRO CC(C)[C@H]([NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1)c1ccc(Cl)cc1F ZINC000180262347 822650438 /nfs/dbraw/zinc/65/04/38/822650438.db2.gz ZQFLEAFUFIEILQ-IBGZPJMESA-N 1 0 398.931 4.216 20 0 GIADRO C[NH+](C)Cc1ccc(C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)cc1 ZINC000180272393 822652162 /nfs/dbraw/zinc/65/21/62/822652162.db2.gz INORDSXIOPOLPN-UHFFFAOYSA-N 1 0 399.947 4.498 20 0 GIADRO CN(C(=O)Nc1cccc(F)c1Cl)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000455431922 822652633 /nfs/dbraw/zinc/65/26/33/822652633.db2.gz XEAQZCMZMVNECU-UHFFFAOYSA-N 1 0 381.801 4.360 20 0 GIADRO Cc1c(NC(=O)NC(C)(C)CCC[NH+](C)C)cnn1-c1ccc(Cl)cc1 ZINC000455432426 822652692 /nfs/dbraw/zinc/65/26/92/822652692.db2.gz NCCMKPOSDHIEQU-UHFFFAOYSA-N 1 0 377.920 4.076 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]CC(=O)N(C)c1nccs1 ZINC000184541616 822654159 /nfs/dbraw/zinc/65/41/59/822654159.db2.gz POVRITPMHQMDTM-ZDUSSCGKSA-N 1 0 386.546 4.197 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc(SC(C)C)cc1 ZINC000048359663 822655778 /nfs/dbraw/zinc/65/57/78/822655778.db2.gz UGECUBWUOZHJEY-UHFFFAOYSA-N 1 0 383.561 4.500 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CCCCC(=O)c1ccccc1 ZINC000048359672 822655832 /nfs/dbraw/zinc/65/58/32/822655832.db2.gz JEWVRFWCBSVNDE-UHFFFAOYSA-N 1 0 393.531 4.129 20 0 GIADRO CC(=O)Nc1cc(NC(=O)NC2CC[NH+](Cc3cccc(C)c3)CC2)ccc1C ZINC000048360663 822656083 /nfs/dbraw/zinc/65/60/83/822656083.db2.gz OXLPLFHGXOWKHW-UHFFFAOYSA-N 1 0 394.519 4.048 20 0 GIADRO CCN(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000455449675 822656449 /nfs/dbraw/zinc/65/64/49/822656449.db2.gz USAFOHDPDBJONZ-DXJOGWAWSA-N 1 0 383.458 4.423 20 0 GIADRO Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)NCC[NH+]1CCC(C)CC1 ZINC000048371003 822657087 /nfs/dbraw/zinc/65/70/87/822657087.db2.gz RLYGXJKFNVODPB-UHFFFAOYSA-N 1 0 394.519 4.101 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1cccc2c3c([nH]c21)CCCC3 ZINC000180293308 822657699 /nfs/dbraw/zinc/65/76/99/822657699.db2.gz UMSDBCOIRVMWLU-UHFFFAOYSA-N 1 0 388.515 4.088 20 0 GIADRO Cc1ccnn1-c1ccccc1NC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000184568516 822658796 /nfs/dbraw/zinc/65/87/96/822658796.db2.gz SAEMSKXPKCGDFM-HXUWFJFHSA-N 1 0 395.551 4.157 20 0 GIADRO CCC(=O)Nc1ccc(NC(=O)NCc2ccccc2C[NH+](CC)CC)cc1 ZINC000048393123 822659103 /nfs/dbraw/zinc/65/91/03/822659103.db2.gz SEBSJXVWDMWTJT-UHFFFAOYSA-N 1 0 382.508 4.199 20 0 GIADRO CCC(=O)Nc1ccc(NC(=O)NCC2([NH+]3CCCCC3)CCCCC2)cc1 ZINC000048394372 822659224 /nfs/dbraw/zinc/65/92/24/822659224.db2.gz YVQQKGZHXJFZRA-UHFFFAOYSA-N 1 0 386.540 4.345 20 0 GIADRO Cc1cc(N2CCCCCC2)ccc1NC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000455465894 822659912 /nfs/dbraw/zinc/65/99/12/822659912.db2.gz RLAMPYKCPDQNMY-HSZRJFAPSA-N 1 0 384.568 4.325 20 0 GIADRO C[C@H](c1ccccc1)[N@H+](C)CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000048434341 822661739 /nfs/dbraw/zinc/66/17/39/822661739.db2.gz COFLXBYSBKPXGA-WIYYLYMNSA-N 1 0 394.515 4.204 20 0 GIADRO O[C@@H](C[NH2+]C1CCN(CCC(F)(F)F)CC1)c1ccc(-c2ccccc2)cc1 ZINC000184586983 822661976 /nfs/dbraw/zinc/66/19/76/822661976.db2.gz FJAZSCNSYBYNTB-NRFANRHFSA-N 1 0 392.465 4.393 20 0 GIADRO COC(=O)c1ccc(C)c(NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000184591311 822662513 /nfs/dbraw/zinc/66/25/13/822662513.db2.gz KRUOOCNSIQWCJP-UHFFFAOYSA-N 1 0 380.488 4.022 20 0 GIADRO CC1CC[NH+](CCCCNC(=O)Nc2ccc(F)cc2Br)CC1 ZINC000048451474 822662904 /nfs/dbraw/zinc/66/29/04/822662904.db2.gz KTLBREVGLRTKTK-UHFFFAOYSA-N 1 0 386.309 4.222 20 0 GIADRO 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 822663225 /nfs/dbraw/zinc/66/32/25/822663225.db2.gz WIGAHCZUCRIQFD-LJFMXPCSSA-N 1 0 395.469 4.423 20 0 GIADRO COc1cccc([C@H]2C[C@H](NC(=O)NCc3ccc(C[NH+]4CCCC4)cc3)C2)c1 ZINC000455492540 822665246 /nfs/dbraw/zinc/66/52/46/822665246.db2.gz WNGTWIGANUSIHL-HZCBDIJESA-N 1 0 393.531 4.036 20 0 GIADRO O=C(NCCC[NH+]1CCCCC1)c1ccc(Br)cc1C(F)(F)F ZINC000180339422 822666231 /nfs/dbraw/zinc/66/62/31/822666231.db2.gz WINUQYZFGSXLRW-UHFFFAOYSA-N 1 0 393.247 4.074 20 0 GIADRO CC1(C(=O)N2CCc3[nH]c4ccccc4c3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000184618078 822666336 /nfs/dbraw/zinc/66/63/36/822666336.db2.gz BAXSQAFOYGPTTE-UHFFFAOYSA-N 1 0 387.527 4.355 20 0 GIADRO O=C(NCCCCC[NH+]1CCCCC1)N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000184622362 822666933 /nfs/dbraw/zinc/66/69/33/822666933.db2.gz UVBWQILWPVWGFO-HXUWFJFHSA-N 1 0 393.959 4.079 20 0 GIADRO Cc1ccc([C@H](NC(=O)NC2CC[NH+](C3CCC3)CC2)c2ccccc2)cc1 ZINC000455506857 822668033 /nfs/dbraw/zinc/66/80/33/822668033.db2.gz ZZLBHFNSIRBEMQ-HSZRJFAPSA-N 1 0 377.532 4.401 20 0 GIADRO Cc1c(-c2cc(C[N@@H+]3CCC[C@H](c4nc5c(s4)CCCC5)C3)on2)cnn1C ZINC000184628861 822668150 /nfs/dbraw/zinc/66/81/50/822668150.db2.gz UITLITBOQNVGMM-HNNXBMFYSA-N 1 0 397.548 4.098 20 0 GIADRO CC1(C(=O)Nc2cccc(NC(=O)C3CC3)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000184633939 822668941 /nfs/dbraw/zinc/66/89/41/822668941.db2.gz ZXKPHQHIUUFTRI-UHFFFAOYSA-N 1 0 391.515 4.276 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCC1)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000184636443 822669149 /nfs/dbraw/zinc/66/91/49/822669149.db2.gz UHTQLZFXSMYXTA-QZTJIDSGSA-N 1 0 388.433 4.120 20 0 GIADRO CCOc1cccc2cc([C@@H](C)[NH2+]CC(=O)N3CCc4ccccc4C3)oc21 ZINC000180355263 822669224 /nfs/dbraw/zinc/66/92/24/822669224.db2.gz REWHBIFDDWBIHP-MRXNPFEDSA-N 1 0 378.472 4.067 20 0 GIADRO C[NH+](C)[C@H]1Cc2ccccc2N(C(=O)c2csc(-c3ccc(F)c(F)c3)n2)C1 ZINC000180355439 822669253 /nfs/dbraw/zinc/66/92/53/822669253.db2.gz GZLDJVMCXXPUBN-HNNXBMFYSA-N 1 0 399.466 4.221 20 0 GIADRO CCOc1cccc2cc([C@@H](C)[NH2+]CC(=O)Nc3ccc(C(C)=O)cc3)oc21 ZINC000180355549 822669263 /nfs/dbraw/zinc/66/92/63/822669263.db2.gz PNRXAVIWVARFLW-CQSZACIVSA-N 1 0 380.444 4.323 20 0 GIADRO N#CCOc1cccc(NC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)c1 ZINC000048514310 822669283 /nfs/dbraw/zinc/66/92/83/822669283.db2.gz GTHSDJKZACEJEE-FQEVSTJZSA-N 1 0 398.894 4.201 20 0 GIADRO C[C@H](C#N)Oc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000180357147 822669683 /nfs/dbraw/zinc/66/96/83/822669683.db2.gz KAGHMHGWIZDDRO-MOPGFXCFSA-N 1 0 391.515 4.259 20 0 GIADRO Cc1cccc(C[NH+]2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)c1O ZINC000180364974 822670888 /nfs/dbraw/zinc/67/08/88/822670888.db2.gz FIATZHLDPXLDGP-UHFFFAOYSA-N 1 0 378.516 4.104 20 0 GIADRO CC1(C)Oc2ccc(NC(=O)NC[C@@H](c3ccco3)[NH+]3CCCCC3)cc2O1 ZINC000048540439 822671015 /nfs/dbraw/zinc/67/10/15/822671015.db2.gz MXQNBTZKMGMRIR-INIZCTEOSA-N 1 0 385.464 4.136 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)Nc1cccc(-n2cccn2)c1 ZINC000048550708 822671737 /nfs/dbraw/zinc/67/17/37/822671737.db2.gz FAMVWRHNNSAESV-UHFFFAOYSA-N 1 0 377.492 4.034 20 0 GIADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)Nc1cccc(-n2cccn2)c1 ZINC000048553196 822671924 /nfs/dbraw/zinc/67/19/24/822671924.db2.gz HUDGHUDOQDJRBJ-UHFFFAOYSA-N 1 0 397.548 4.310 20 0 GIADRO O=C(Nc1cc(F)cc(F)c1F)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000455540981 822672562 /nfs/dbraw/zinc/67/25/62/822672562.db2.gz MDHGTUZVSWKUPM-CVEARBPZSA-N 1 0 389.421 4.090 20 0 GIADRO COc1ccc([C@@H](C[NH2+][C@H](C)c2ccc(OC(F)F)cc2)N(C)C)cc1OC ZINC000180379236 822672622 /nfs/dbraw/zinc/67/26/22/822672622.db2.gz BMUZYKKIWZYLOF-RDTXWAMCSA-N 1 0 394.462 4.259 20 0 GIADRO COc1ccc([C@H](C[NH2+][C@H](C)c2ccc3ccccc3n2)N(C)C)cc1OC ZINC000180379466 822672949 /nfs/dbraw/zinc/67/29/49/822672949.db2.gz DJNXZRARALQGNJ-IERDGZPVSA-N 1 0 379.504 4.206 20 0 GIADRO C[C@H]([NH2+][C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1ccc(Cl)nc1 ZINC000184669936 822673376 /nfs/dbraw/zinc/67/33/76/822673376.db2.gz LZVNDPPSHAVDBQ-WFASDCNBSA-N 1 0 397.828 4.206 20 0 GIADRO O=C(N[C@@H](Cc1ccccc1)c1ccccc1F)NC1CC[NH+](C2CCC2)CC1 ZINC000455561684 822675011 /nfs/dbraw/zinc/67/50/11/822675011.db2.gz NCHXTCYERQKSTJ-QHCPKHFHSA-N 1 0 395.522 4.426 20 0 GIADRO C[C@H]([NH2+]Cc1cc2cc(Br)ccc2[nH]1)c1ccc(-n2cncn2)cc1 ZINC000184678788 822675056 /nfs/dbraw/zinc/67/50/56/822675056.db2.gz ZPYHCGQTWJLIOF-ZDUSSCGKSA-N 1 0 396.292 4.362 20 0 GIADRO Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000455565633 822675409 /nfs/dbraw/zinc/67/54/09/822675409.db2.gz RCLDNZKSWKIGMA-OAHLLOKOSA-N 1 0 378.586 4.294 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000184682800 822675856 /nfs/dbraw/zinc/67/58/56/822675856.db2.gz VBQCBIMYMKAQKD-IIDMSEBBSA-N 1 0 392.421 4.144 20 0 GIADRO CC(C)[NH+]1CCC(N[C@@H](C)c2ccc(OC[C@H]3CCCCO3)c(F)c2)CC1 ZINC000180402103 822676012 /nfs/dbraw/zinc/67/60/12/822676012.db2.gz CDIVQVCGNQKUAS-FXAWDEMLSA-N 1 0 378.532 4.297 20 0 GIADRO COc1cccc(C[C@H]([NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)C2CC2)c1 ZINC000180408565 822676686 /nfs/dbraw/zinc/67/66/86/822676686.db2.gz XAINKJFFGXPKSX-DEOSSOPVSA-N 1 0 392.543 4.432 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)c1 ZINC000180408730 822676893 /nfs/dbraw/zinc/67/68/93/822676893.db2.gz OIHZXAITUDYZPW-KRWDZBQOSA-N 1 0 379.504 4.122 20 0 GIADRO CC1(C(=O)NC2CCN(c3ccccc3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000184689498 822677083 /nfs/dbraw/zinc/67/70/83/822677083.db2.gz OFAWQCFWBLKKLD-UHFFFAOYSA-N 1 0 391.559 4.074 20 0 GIADRO C[C@H](CC(=O)NCc1ccc(F)c(C[NH+](C)C)c1)C(=O)c1ccc(Cl)cc1 ZINC000180415802 822677899 /nfs/dbraw/zinc/67/78/99/822677899.db2.gz QSBXBBCYTQMYCG-CQSZACIVSA-N 1 0 390.886 4.066 20 0 GIADRO CCCC[C@@H]1CCC[C@H]1[NH2+]Cc1nc(C(C)(C)NC(=O)OC(C)(C)C)no1 ZINC000184696557 822678094 /nfs/dbraw/zinc/67/80/94/822678094.db2.gz BHGNKWCZXNYVMZ-HUUCEWRRSA-N 1 0 380.533 4.278 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)CC1 ZINC000180419784 822678515 /nfs/dbraw/zinc/67/85/15/822678515.db2.gz QQCIDPVKRUJGHL-UHFFFAOYSA-N 1 0 391.437 4.488 20 0 GIADRO CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000180420460 822678633 /nfs/dbraw/zinc/67/86/33/822678633.db2.gz XYENAWAAVLEVBD-IRXDYDNUSA-N 1 0 377.492 4.103 20 0 GIADRO CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H](C)c2ccc(OC)c(NC(C)=O)c2)c1 ZINC000180421705 822678867 /nfs/dbraw/zinc/67/88/67/822678867.db2.gz ZHMGEZATINFSLW-HOTGVXAUSA-N 1 0 397.519 4.489 20 0 GIADRO CC[C@@H](C)C(=O)Nc1cccc(C[NH2+][C@@H](C)c2sc(CCOC)nc2C)c1 ZINC000180423892 822679205 /nfs/dbraw/zinc/67/92/05/822679205.db2.gz VLLLLRPWFUTIMG-CABCVRRESA-N 1 0 389.565 4.476 20 0 GIADRO CC(=O)Nc1cccc(C[NH2+]Cc2c(C)nn(-c3ccc(F)cc3F)c2C)c1 ZINC000048712810 822679355 /nfs/dbraw/zinc/67/93/55/822679355.db2.gz WVBCSZPXIDKIGE-UHFFFAOYSA-N 1 0 384.430 4.016 20 0 GIADRO COc1cc([C@@H](C)[NH2+]Cc2cnc(-c3ccccc3)nc2)cc(OC)c1OC ZINC000048713638 822679456 /nfs/dbraw/zinc/67/94/56/822679456.db2.gz NVNXZDBEAHVQOK-OAHLLOKOSA-N 1 0 379.460 4.020 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)N[C@@H](c1ccccc1)C(F)F ZINC000455594635 822680874 /nfs/dbraw/zinc/68/08/74/822680874.db2.gz IPNLTCZIAIFGMU-SFHVURJKSA-N 1 0 397.416 4.044 20 0 GIADRO CC[C@@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)c1ccccc1OCC(=O)NC ZINC000048749841 822681118 /nfs/dbraw/zinc/68/11/18/822681118.db2.gz VWGVTPVOJWLWEY-QGZVFWFLSA-N 1 0 380.410 4.071 20 0 GIADRO Cc1nccn1CCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000048750372 822681376 /nfs/dbraw/zinc/68/13/76/822681376.db2.gz XDBQVOWKDHOMQX-UHFFFAOYSA-N 1 0 377.517 4.286 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000180436037 822681503 /nfs/dbraw/zinc/68/15/03/822681503.db2.gz DNDAPMTYJQGNHE-OALUTQOASA-N 1 0 399.485 4.228 20 0 GIADRO C[C@@H](NC(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)c1ccccc1Cl ZINC000048777098 822682464 /nfs/dbraw/zinc/68/24/64/822682464.db2.gz QLGIJJZLMWWTQP-MRXNPFEDSA-N 1 0 399.922 4.142 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(Cl)c(Cl)c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000048780197 822682670 /nfs/dbraw/zinc/68/26/70/822682670.db2.gz IOHUSTWEUBQAKY-GFCCVEGCSA-N 1 0 387.332 4.095 20 0 GIADRO Cn1cc(CC[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccc(Cl)c2)cn1 ZINC000048784556 822683090 /nfs/dbraw/zinc/68/30/90/822683090.db2.gz SMHCQZVHSNNRKY-UHFFFAOYSA-N 1 0 391.906 4.259 20 0 GIADRO COc1ccc(C(=O)Nc2cccc(C[NH2+]CCSC(F)(F)F)c2)cc1 ZINC000048783996 822683102 /nfs/dbraw/zinc/68/31/02/822683102.db2.gz WGZIYZQPJMIYNL-UHFFFAOYSA-N 1 0 384.423 4.290 20 0 GIADRO COc1cccc(/C(C)=C/C(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000180444786 822683226 /nfs/dbraw/zinc/68/32/26/822683226.db2.gz KBHRDOVMOOQSBZ-HTXNQAPBSA-N 1 0 393.531 4.259 20 0 GIADRO COc1ccccc1SC[C@H](C)C[NH2+][C@@H](C)c1cnc2cc(C)nn2c1C ZINC000180446807 822683644 /nfs/dbraw/zinc/68/36/44/822683644.db2.gz CZVKSSPTTUKZGL-ZBFHGGJFSA-N 1 0 384.549 4.434 20 0 GIADRO C[N@H+](CCCCNC(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1)C1CC1 ZINC000455609104 822683838 /nfs/dbraw/zinc/68/38/38/822683838.db2.gz KIXMIKGJNBNODI-INIZCTEOSA-N 1 0 383.458 4.079 20 0 GIADRO C[C@@H](Cc1cccc(F)c1)C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180451640 822684747 /nfs/dbraw/zinc/68/47/47/822684747.db2.gz WJCWKWIIQCJIBJ-SFHVURJKSA-N 1 0 383.511 4.164 20 0 GIADRO CC(C)(C)c1csc(CCNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)n1 ZINC000184754956 822686418 /nfs/dbraw/zinc/68/64/18/822686418.db2.gz RSROIRHQWDUIBC-UHFFFAOYSA-N 1 0 399.604 4.402 20 0 GIADRO CCC(CC)n1nc(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1C ZINC000180466488 822687176 /nfs/dbraw/zinc/68/71/76/822687176.db2.gz BWYUUVIDAOWZPQ-QGZVFWFLSA-N 1 0 388.581 4.256 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cc(Cl)ccc2OC(F)(F)F)C1 ZINC000455633284 822687360 /nfs/dbraw/zinc/68/73/60/822687360.db2.gz CIDGCDNIZOLNDX-LLVKDONJSA-N 1 0 379.810 4.044 20 0 GIADRO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3cc(Cl)ccc3OC(F)(F)F)CC[C@@H]21 ZINC000455634305 822687562 /nfs/dbraw/zinc/68/75/62/822687562.db2.gz DWPVTYFOFRCWSG-FZMZJTMJSA-N 1 0 391.821 4.187 20 0 GIADRO CSCc1ccccc1NC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000184779473 822689851 /nfs/dbraw/zinc/68/98/51/822689851.db2.gz KGOXCCXVWPQNKI-UHFFFAOYSA-N 1 0 379.595 4.033 20 0 GIADRO CC1CC[NH+](C2CCC(NC(=O)N[C@@H](c3ccccc3)C(F)F)CC2)CC1 ZINC000455645126 822690074 /nfs/dbraw/zinc/69/00/74/822690074.db2.gz IXVDYBVHCYHIJP-ACBHZAAOSA-N 1 0 379.495 4.335 20 0 GIADRO OC[C@@H](C1CC1)[N@H+](Cc1ccccc1)Cc1ccc(Oc2cnccn2)cc1 ZINC000184789618 822691332 /nfs/dbraw/zinc/69/13/32/822691332.db2.gz YMTTYAAUAVSGRG-QFIPXVFZSA-N 1 0 375.472 4.042 20 0 GIADRO CC(C)c1cc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)c2cnn(C(C)C)c2n1 ZINC000049073267 822692167 /nfs/dbraw/zinc/69/21/67/822692167.db2.gz YBQRXKYCWSDSGL-UHFFFAOYSA-N 1 0 397.567 4.084 20 0 GIADRO Cc1cc(C(=O)NNc2cc[nH+]cc2)c(C)n1-c1ccc(Br)cc1 ZINC000180503971 822692171 /nfs/dbraw/zinc/69/21/71/822692171.db2.gz XNKWWLPLKUYPIX-UHFFFAOYSA-N 1 0 385.265 4.009 20 0 GIADRO CCCOc1c(Cl)cc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)cc1OC ZINC000049072914 822692193 /nfs/dbraw/zinc/69/21/93/822692193.db2.gz BPPXAPDOEJWZQW-UHFFFAOYSA-N 1 0 394.943 4.085 20 0 GIADRO O=C(CCCOc1cccc2ccccc21)N1CCC(C[NH+]2CCCC2)CC1 ZINC000049072856 822692224 /nfs/dbraw/zinc/69/22/24/822692224.db2.gz LYXWRXXXQUTVRN-UHFFFAOYSA-N 1 0 380.532 4.333 20 0 GIADRO C[NH+](C)CCn1nccc1NC(=O)N(Cc1ccccc1Cl)C1CCCC1 ZINC000455654803 822692312 /nfs/dbraw/zinc/69/23/12/822692312.db2.gz HTORFAUHOVLNGI-UHFFFAOYSA-N 1 0 389.931 4.075 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)Nc1ccc([C@@H]2CCOC2)cc1 ZINC000455656905 822692797 /nfs/dbraw/zinc/69/27/97/822692797.db2.gz CDSVNVSCVMYMPT-SIKLNZKXSA-N 1 0 393.531 4.319 20 0 GIADRO COc1cc(C[NH2+][C@H]2CCCc3nc(C)sc32)cc(Br)c1OC ZINC000180507229 822693037 /nfs/dbraw/zinc/69/30/37/822693037.db2.gz BVRHEGRTTSRVMF-ZDUSSCGKSA-N 1 0 397.338 4.398 20 0 GIADRO Cc1ccc([C@H](CNC(=O)Nc2ccc([C@H]3CCOC3)cc2)[NH+]2CCCC2)o1 ZINC000455657627 822693000 /nfs/dbraw/zinc/69/30/00/822693000.db2.gz DKHIWQRKDOHPEH-ICSRJNTNSA-N 1 0 383.492 4.051 20 0 GIADRO C[C@@H](c1ccc2ccccc2c1)N(C(=O)Nc1ccnn1CC[NH+](C)C)C1CC1 ZINC000455658743 822693471 /nfs/dbraw/zinc/69/34/71/822693471.db2.gz OBHBOEDGDCCGQW-KRWDZBQOSA-N 1 0 391.519 4.355 20 0 GIADRO COc1cccc([C@H](O)C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c1 ZINC000180519225 822695261 /nfs/dbraw/zinc/69/52/61/822695261.db2.gz MWGTUWGDUQSEKZ-YADHBBJMSA-N 1 0 378.428 4.016 20 0 GIADRO CCC(CC)c1cc(CNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)on1 ZINC000184817772 822695270 /nfs/dbraw/zinc/69/52/70/822695270.db2.gz ZZGFGUOICOZPQW-UHFFFAOYSA-N 1 0 383.536 4.497 20 0 GIADRO CSc1ccccc1C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000184830083 822696741 /nfs/dbraw/zinc/69/67/41/822696741.db2.gz WGOXEHRVFLANIC-MRXNPFEDSA-N 1 0 382.451 4.460 20 0 GIADRO COc1ccc2oc([C@H](C)[NH2+]CC(=O)N3CCc4sccc4C3)c(C)c2c1 ZINC000180529988 822697174 /nfs/dbraw/zinc/69/71/74/822697174.db2.gz QOHWPCDZWJOLBB-AWEZNQCLSA-N 1 0 384.501 4.047 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)Nc1ccc([C@@H]2CCOC2)cc1 ZINC000455674059 822697474 /nfs/dbraw/zinc/69/74/74/822697474.db2.gz OUEKEPQBNOXVNI-OAQYLSRUSA-N 1 0 381.520 4.352 20 0 GIADRO C[C@@H]([NH2+]C[C@H](c1cccc(Cl)c1)N1CCOCC1)c1ccc(Cl)nc1 ZINC000180536277 822698233 /nfs/dbraw/zinc/69/82/33/822698233.db2.gz KBSGABHHHLHSJK-RDTXWAMCSA-N 1 0 380.319 4.113 20 0 GIADRO C[C@@H]([NH2+]C(C)(C)CN[C@@H](c1cnn(C)c1)c1cccc(F)c1)c1ccccc1 ZINC000180540624 822698878 /nfs/dbraw/zinc/69/88/78/822698878.db2.gz HIMJEJGNEJYFSN-VGOFRKELSA-N 1 0 380.511 4.368 20 0 GIADRO CN(C(=O)Nc1ccc(C2CCC2)cn1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000455681157 822699518 /nfs/dbraw/zinc/69/95/18/822699518.db2.gz MKSPBOUJJPLXOE-UHFFFAOYSA-N 1 0 378.520 4.477 20 0 GIADRO Cc1csc([C@H](NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)C(F)(F)F)n1 ZINC000455682436 822699856 /nfs/dbraw/zinc/69/98/56/822699856.db2.gz CJMLKJBPKRTHNZ-KGLIPLIRSA-N 1 0 392.491 4.009 20 0 GIADRO CC(C)c1ccccc1NC(=O)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000049382499 822699933 /nfs/dbraw/zinc/69/99/33/822699933.db2.gz QEMZXXBRHFYBAH-UHFFFAOYSA-N 1 0 393.531 4.051 20 0 GIADRO C[C@@H]1[C@@H](NC(=O)Nc2nc(CC(F)(F)F)cs2)CC[N@@H+]1Cc1ccccc1 ZINC000455686312 822701187 /nfs/dbraw/zinc/70/11/87/822701187.db2.gz OCSNQHATUWSBIR-DOMZBBRYSA-N 1 0 398.454 4.032 20 0 GIADRO Cc1c(Cl)cncc1NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000455688739 822702154 /nfs/dbraw/zinc/70/21/54/822702154.db2.gz STKMZUAKYCIHJD-UHFFFAOYSA-N 1 0 393.318 4.483 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCc2c1cccc2Br)c1ccc(-n2cncn2)cc1 ZINC000180562374 822703168 /nfs/dbraw/zinc/70/31/68/822703168.db2.gz OLPXMIRGVZNDGW-ORAYPTAESA-N 1 0 383.293 4.368 20 0 GIADRO Brc1cccc2c1CC[C@@H]2[NH2+]C1CCN(c2nccs2)CC1 ZINC000180563202 822703358 /nfs/dbraw/zinc/70/33/58/822703358.db2.gz LIIMZFVOAUFXCD-INIZCTEOSA-N 1 0 378.339 4.152 20 0 GIADRO CC(C)[NH+]1CCC(N(C)C(=O)CCCCc2ccc(Br)cc2)CC1 ZINC000049638262 822703716 /nfs/dbraw/zinc/70/37/16/822703716.db2.gz DLKZKXVIIWXEEC-UHFFFAOYSA-N 1 0 395.385 4.493 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)c1ccc2c(c1)OCCO2 ZINC000184875161 822705206 /nfs/dbraw/zinc/70/52/06/822705206.db2.gz IXVCCOUWWPZLRS-RYUDHWBXSA-N 1 0 378.266 4.338 20 0 GIADRO C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000184878971 822705993 /nfs/dbraw/zinc/70/59/93/822705993.db2.gz RQYXDDCRMOUJTQ-CQSZACIVSA-N 1 0 390.886 4.066 20 0 GIADRO C[N@@H+]1CCCC[C@@H]1CCSc1nnc(-c2ccncc2)n1Cc1ccccc1 ZINC000049775692 822708779 /nfs/dbraw/zinc/70/87/79/822708779.db2.gz FYNTUCDYSALMMP-HXUWFJFHSA-N 1 0 393.560 4.355 20 0 GIADRO CC[N@H+](Cc1cc(=O)oc2cc(NC(C)=O)ccc12)[C@@H](C)c1ccc(C#N)cc1 ZINC000049771090 822708792 /nfs/dbraw/zinc/70/87/92/822708792.db2.gz BQLUVWQYPFLJKK-HNNXBMFYSA-N 1 0 389.455 4.206 20 0 GIADRO CC[N@H+](CCC1CCN(C(=O)Nc2cncc(Cl)c2C)CC1)CC1CC1 ZINC000455709072 822709265 /nfs/dbraw/zinc/70/92/65/822709265.db2.gz IBKYRIRXRZMDKL-UHFFFAOYSA-N 1 0 378.948 4.409 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)N(Cc1ccccc1)C1CC1)[NH+]1CCCC1 ZINC000049790083 822709495 /nfs/dbraw/zinc/70/94/95/822709495.db2.gz DZCAKSAXZWOLGL-QFIPXVFZSA-N 1 0 393.531 4.206 20 0 GIADRO COc1ccc(Br)c(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000180602391 822709540 /nfs/dbraw/zinc/70/95/40/822709540.db2.gz LNRONUGLYIVVJC-PBHICJAKSA-N 1 0 380.282 4.139 20 0 GIADRO CC1CC[NH+]([C@H](CNC(=O)N2CCC[C@H]2c2ccncc2)c2cccs2)CC1 ZINC000049790410 822709764 /nfs/dbraw/zinc/70/97/64/822709764.db2.gz ASKZJNYRPKKKDY-VQTJNVASSA-N 1 0 398.576 4.463 20 0 GIADRO COc1ccc([C@H]([NH2+]CCCOC[C@@H]2CCOC2)c2ccccc2Cl)cc1 ZINC000180604240 822709937 /nfs/dbraw/zinc/70/99/37/822709937.db2.gz AHPMHVNGBJUMSF-JTSKRJEESA-N 1 0 389.923 4.471 20 0 GIADRO O[C@@H](C[C@H]1CCC[N@@H+]1Cc1ccccc1OCc1cccnc1)c1ccco1 ZINC000180603642 822709963 /nfs/dbraw/zinc/70/99/63/822709963.db2.gz JZKYXGTWOJHIRM-RTWAWAEBSA-N 1 0 378.472 4.342 20 0 GIADRO COc1cccc([C@H](CNC(=O)N(C)Cc2csc3ccccc23)[NH+](C)C)c1 ZINC000049798836 822710267 /nfs/dbraw/zinc/71/02/67/822710267.db2.gz YTJJVKTVZQCSPT-FQEVSTJZSA-N 1 0 397.544 4.354 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)N3CCC[C@H]3c3cccs3)c2)CC1 ZINC000184911646 822712002 /nfs/dbraw/zinc/71/20/02/822712002.db2.gz XKJXSOOJCRLERP-IBGZPJMESA-N 1 0 384.549 4.259 20 0 GIADRO CC[C@H](C)[NH2+][C@H](CNC(=O)Nc1cn(C)nc1C1CCCCC1)c1ccco1 ZINC000455718067 822712377 /nfs/dbraw/zinc/71/23/77/822712377.db2.gz LLSONIVFNVMQBK-DOTOQJQBSA-N 1 0 387.528 4.312 20 0 GIADRO C[C@@H](C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)c1cn(C)c2ccccc12 ZINC000184922647 822713549 /nfs/dbraw/zinc/71/35/49/822713549.db2.gz DFKBIZSRUOSLAY-UZLBHIALSA-N 1 0 381.545 4.297 20 0 GIADRO COCc1ccccc1C[NH2+][C@@H]1CCCC[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000184925692 822714203 /nfs/dbraw/zinc/71/42/03/822714203.db2.gz SUMZMSCCJNJAHH-YADHBBJMSA-N 1 0 387.545 4.016 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)Nc2ccccc2OCCF)CC[N@@H+]1Cc1ccccc1 ZINC000455726275 822714861 /nfs/dbraw/zinc/71/48/61/822714861.db2.gz TVFAREDZLUMRLO-MJGOQNOKSA-N 1 0 385.483 4.210 20 0 GIADRO C#CC[NH+]1CCC(C(=O)N[C@@H](c2cccs2)c2ccc(CCC)cc2)CC1 ZINC000050026269 822714916 /nfs/dbraw/zinc/71/49/16/822714916.db2.gz PKRNVRQJPCDGDT-JOCHJYFZSA-N 1 0 380.557 4.251 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000184936356 822715599 /nfs/dbraw/zinc/71/55/99/822715599.db2.gz YUVGDWJEHCVLAR-ROUUACIJSA-N 1 0 390.449 4.318 20 0 GIADRO CCCOc1ccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1OCC ZINC000050040828 822715739 /nfs/dbraw/zinc/71/57/39/822715739.db2.gz KPLSPNTWHCJNRO-GOSISDBHSA-N 1 0 386.492 4.034 20 0 GIADRO CC(C)c1ccnc(N2CC[NH+](Cn3ccc(=S)c4ccccc43)CC2)n1 ZINC000184938675 822715929 /nfs/dbraw/zinc/71/59/29/822715929.db2.gz CGUZEHPPNMQEOH-UHFFFAOYSA-N 1 0 379.533 4.064 20 0 GIADRO COc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1Cl ZINC000050049967 822715949 /nfs/dbraw/zinc/71/59/49/822715949.db2.gz VALIIHRZHCVVKZ-AWEZNQCLSA-N 1 0 393.940 4.444 20 0 GIADRO CCOc1ccc(NC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c(C)c1 ZINC000050057874 822716454 /nfs/dbraw/zinc/71/64/54/822716454.db2.gz DHNBTXUWCIUTQC-QGZVFWFLSA-N 1 0 387.549 4.489 20 0 GIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2nc(CC(F)(F)F)cs2)C1 ZINC000455734097 822716772 /nfs/dbraw/zinc/71/67/72/822716772.db2.gz XIMNOVNMWIPJCW-JSGCOSHPSA-N 1 0 398.454 4.205 20 0 GIADRO C[C@H]1C[C@H](NC(=O)Nc2nc(CC(F)(F)F)cs2)C[N@@H+]1Cc1ccccc1 ZINC000455735544 822716919 /nfs/dbraw/zinc/71/69/19/822716919.db2.gz YDABLLGOSWKNDC-JSGCOSHPSA-N 1 0 398.454 4.032 20 0 GIADRO Cc1sc([C@H](C)[NH2+]C[C@@H](C)CS(C)(=O)=O)nc1-c1ccc(Cl)cc1 ZINC000184947270 822716933 /nfs/dbraw/zinc/71/69/33/822716933.db2.gz AYOOZEBLDBLQGP-NEPJUHHUSA-N 1 0 386.970 4.103 20 0 GIADRO Cc1sc([C@@H](C)[NH2+][C@@H](C)CN2CCOCC2)nc1-c1ccc(Cl)cc1 ZINC000184949040 822717197 /nfs/dbraw/zinc/71/71/97/822717197.db2.gz NIELMXJHTVJGGO-UONOGXRCSA-N 1 0 379.957 4.143 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)Nc1ccc2c(c1)CCCC2 ZINC000455737297 822717399 /nfs/dbraw/zinc/71/73/99/822717399.db2.gz WAXPMLGRNXALSC-UHFFFAOYSA-N 1 0 378.520 4.341 20 0 GIADRO CCCn1ncc(NC(=O)N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)c1C1CC1 ZINC000455748063 822719070 /nfs/dbraw/zinc/71/90/70/822719070.db2.gz GTBIPPIXOZAHGL-OXJNMPFZSA-N 1 0 383.540 4.292 20 0 GIADRO Cc1ccc(F)c(Br)c1NC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000455749219 822719236 /nfs/dbraw/zinc/71/92/36/822719236.db2.gz JZPVUBHWWRYQPW-HNNXBMFYSA-N 1 0 394.288 4.321 20 0 GIADRO CCCN(CC[NH+]1CCCCCC1)C(=O)Nc1cnn(CCC)c1C1CC1 ZINC000455750085 822719363 /nfs/dbraw/zinc/71/93/63/822719363.db2.gz IXUKQQPKYFAMFE-UHFFFAOYSA-N 1 0 375.561 4.290 20 0 GIADRO CCCn1ncc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1C1CC1 ZINC000455750921 822719573 /nfs/dbraw/zinc/71/95/73/822719573.db2.gz JXUFYHYWSPJHQO-XLIONFOSSA-N 1 0 395.551 4.345 20 0 GIADRO Cc1ccc(F)c(Br)c1NC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000455750750 822719607 /nfs/dbraw/zinc/71/96/07/822719607.db2.gz MADDDOSQONPSGR-CQSZACIVSA-N 1 0 398.320 4.092 20 0 GIADRO Cc1ccc(F)c(Br)c1NC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000455760239 822721250 /nfs/dbraw/zinc/72/12/50/822721250.db2.gz XPQABTLLKJAKLO-UHFFFAOYSA-N 1 0 398.320 4.379 20 0 GIADRO Cc1ccc(F)c(Br)c1NC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000455761186 822721472 /nfs/dbraw/zinc/72/14/72/822721472.db2.gz YXYBNXLYDZSUAR-UHFFFAOYSA-N 1 0 398.320 4.379 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]Cc2ccc(C(F)F)cc2)c1 ZINC000184989123 822722506 /nfs/dbraw/zinc/72/25/06/822722506.db2.gz BQCDPIXMTLDMDI-ZDUSSCGKSA-N 1 0 378.419 4.148 20 0 GIADRO CC(=O)c1ccc(NC(=O)C[NH2+][C@@H](Cc2ccccc2)c2cccs2)cc1 ZINC000184993623 822722859 /nfs/dbraw/zinc/72/28/59/822722859.db2.gz RHFUKGVXZMOMPF-FQEVSTJZSA-N 1 0 378.497 4.463 20 0 GIADRO Cc1nc2c(s1)[C@@H]([NH2+][C@H]1CCN(c3ccccc3C(F)(F)F)C1=O)CCC2 ZINC000185001864 822724008 /nfs/dbraw/zinc/72/40/08/822724008.db2.gz PPZYPCIMJPOZPU-GJZGRUSLSA-N 1 0 395.450 4.243 20 0 GIADRO C[C@@H]([NH2+]C1CCC(O)(c2cccnc2)CC1)c1ccccc1Br ZINC000185006317 822724486 /nfs/dbraw/zinc/72/44/86/822724486.db2.gz FANIMZAAKDRODG-ICXUMSERSA-N 1 0 375.310 4.325 20 0 GIADRO OC1(c2cccnc2)CCC([NH2+][C@@H]2CCc3c2cccc3Br)CC1 ZINC000185006879 822724501 /nfs/dbraw/zinc/72/45/01/822724501.db2.gz NDDQQGPBFGBNES-KHPNHKCMSA-N 1 0 387.321 4.251 20 0 GIADRO C[C@H]([NH2+]C1CCC(O)(c2cccnc2)CC1)c1ccc(Br)cc1 ZINC000185007099 822724707 /nfs/dbraw/zinc/72/47/07/822724707.db2.gz RKDMGUZWQYBYHG-YCMKEVRSSA-N 1 0 375.310 4.325 20 0 GIADRO CC(C)Oc1cccc(NC(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)c1 ZINC000455777340 822724740 /nfs/dbraw/zinc/72/47/40/822724740.db2.gz GFRFWSZEZPTAOJ-QGZVFWFLSA-N 1 0 382.508 4.216 20 0 GIADRO Cc1ccc(CC[N@H+](Cc2ccco2)Cc2cc(-c3cnn(C)c3)no2)cc1 ZINC000185013189 822725278 /nfs/dbraw/zinc/72/52/78/822725278.db2.gz CFUYVQZXFMIFDN-UHFFFAOYSA-N 1 0 376.460 4.221 20 0 GIADRO C[C@@H]1C[N@@H+](CC2CCN(C(=O)Nc3ccccc3C(C)(F)F)CC2)C[C@H](C)O1 ZINC000455806777 822729883 /nfs/dbraw/zinc/72/98/83/822729883.db2.gz LOLJKHUONRGLOP-IYBDPMFKSA-N 1 0 395.494 4.151 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)Nc2cccc(CN3CCCCC3=O)c2)cc1 ZINC000050473994 822730334 /nfs/dbraw/zinc/73/03/34/822730334.db2.gz YFGDLNLBUSUJHF-UHFFFAOYSA-N 1 0 393.531 4.293 20 0 GIADRO CCCn1ncc(NC(=O)N(CC)Cc2ccc(C[NH+](C)C)cc2)c1C1CC1 ZINC000455835128 822733927 /nfs/dbraw/zinc/73/39/27/822733927.db2.gz RRNMSFIMISBCIV-UHFFFAOYSA-N 1 0 383.540 4.286 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)NCCc3ccccc3OC(F)F)ccc21 ZINC000455835300 822733953 /nfs/dbraw/zinc/73/39/53/822733953.db2.gz ADWLITDVNGNEMX-SFHVURJKSA-N 1 0 389.446 4.201 20 0 GIADRO CCCn1ncc(NC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)c1C1CC1 ZINC000455839881 822734908 /nfs/dbraw/zinc/73/49/08/822734908.db2.gz WTRGXLJJRQJMDQ-MRXNPFEDSA-N 1 0 383.540 4.421 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC[C@H]3CCCN(c4ccccc4)C3)ccc21 ZINC000455841654 822735377 /nfs/dbraw/zinc/73/53/77/822735377.db2.gz DWZLKGBKXVEASQ-WZONZLPQSA-N 1 0 392.547 4.274 20 0 GIADRO CC[C@H]1Cc2ccccc2CN1C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000185093714 822736134 /nfs/dbraw/zinc/73/61/34/822736134.db2.gz YRJKLJOMVAODKM-MBSDFSHPSA-N 1 0 392.547 4.154 20 0 GIADRO C[C@@H](CCOCc1ccccc1)NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455846426 822736176 /nfs/dbraw/zinc/73/61/76/822736176.db2.gz IKEITOVPVMCMOJ-HTAPYJJXSA-N 1 0 381.520 4.352 20 0 GIADRO COC[C@@H](NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)c1cccc(Cl)c1 ZINC000455858284 822738257 /nfs/dbraw/zinc/73/82/57/822738257.db2.gz PGSYMOYUVMYXSF-WOJBJXKFSA-N 1 0 387.911 4.398 20 0 GIADRO CC(C)c1ncsc1NC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000455857888 822738283 /nfs/dbraw/zinc/73/82/83/822738283.db2.gz DBPXHRZEYUKXII-OAQYLSRUSA-N 1 0 384.549 4.396 20 0 GIADRO C[C@@H](CCO)N(Cc1ccccc1)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455859014 822738401 /nfs/dbraw/zinc/73/84/01/822738401.db2.gz PMYCZVOXTHQDND-HTAPYJJXSA-N 1 0 381.520 4.041 20 0 GIADRO CC[C@](C)(O)CN(Cc1ccccc1)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455863807 822739072 /nfs/dbraw/zinc/73/90/72/822739072.db2.gz SITPUFRRQHBXLX-UPVQGACJSA-N 1 0 395.547 4.431 20 0 GIADRO CCSCc1ccc(NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000455862941 822739086 /nfs/dbraw/zinc/73/90/86/822739086.db2.gz PCUAFPPKPWXZRK-UHFFFAOYSA-N 1 0 384.549 4.373 20 0 GIADRO COc1ccc(C[NH2+]C[C@@](C)(O)c2cccc(Cl)c2)cc1OCCCC#N ZINC000185118308 822739347 /nfs/dbraw/zinc/73/93/47/822739347.db2.gz UATKQOCATPIRSC-OAQYLSRUSA-N 1 0 388.895 4.028 20 0 GIADRO C[C@H](c1ccsc1)N1CCN(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC1 ZINC000455867954 822739753 /nfs/dbraw/zinc/73/97/53/822739753.db2.gz VSBADEKUKJHQSN-IIBYNOLFSA-N 1 0 398.576 4.208 20 0 GIADRO CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000050860816 822740093 /nfs/dbraw/zinc/74/00/93/822740093.db2.gz UXTJCNDBIFKGHT-HJOGWXRNSA-N 1 0 392.543 4.277 20 0 GIADRO COc1cc(F)cc(C[C@H](C)NC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)c1 ZINC000455870311 822740147 /nfs/dbraw/zinc/74/01/47/822740147.db2.gz XEXDHTWVBHIPFP-QKKBWIMNSA-N 1 0 385.483 4.136 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(-n2ccnc2)c(F)c1)c1ccc(Br)cc1O ZINC000185134516 822741345 /nfs/dbraw/zinc/74/13/45/822741345.db2.gz FOQKRAKDIVAPSQ-GFCCVEGCSA-N 1 0 390.256 4.330 20 0 GIADRO C[N@H+](C[C@@H]1CCCO[C@@H]1c1ccccc1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000050928110 822742721 /nfs/dbraw/zinc/74/27/21/822742721.db2.gz DEXDTLUNHKJZTQ-LAUBAEHRSA-N 1 0 380.448 4.002 20 0 GIADRO C[N@H+](Cc1ccc(OCc2cccnc2)cc1)Cc1ccc2c(c1)OCCO2 ZINC000050958752 822743284 /nfs/dbraw/zinc/74/32/84/822743284.db2.gz NXGRHTPQSTXYHX-UHFFFAOYSA-N 1 0 376.456 4.064 20 0 GIADRO CC(=O)c1ccc(NC(=O)CC[N@@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)cc1 ZINC000050963694 822743392 /nfs/dbraw/zinc/74/33/92/822743392.db2.gz VXUHQJWWJUHEOU-JOCHJYFZSA-N 1 0 398.478 4.038 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCc3cccc(OCC(F)F)c3)ccc21 ZINC000455897936 822744429 /nfs/dbraw/zinc/74/44/29/822744429.db2.gz DYAMMEJGLVIAHP-LJQANCHMSA-N 1 0 389.446 4.201 20 0 GIADRO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000051049322 822744896 /nfs/dbraw/zinc/74/48/96/822744896.db2.gz WDPLAAMNQDUUII-TZIWHRDSSA-N 1 0 395.547 4.177 20 0 GIADRO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000051049320 822744909 /nfs/dbraw/zinc/74/49/09/822744909.db2.gz HAGONGMPAPOWOT-UGKGYDQZSA-N 1 0 395.547 4.177 20 0 GIADRO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000051049326 822744947 /nfs/dbraw/zinc/74/49/47/822744947.db2.gz WDPLAAMNQDUUII-CTNGQTDRSA-N 1 0 395.547 4.177 20 0 GIADRO Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(C[NH+](C)C)cc2)c(Br)c1 ZINC000051084706 822746250 /nfs/dbraw/zinc/74/62/50/822746250.db2.gz LVDKISLCJWVSRQ-AWEZNQCLSA-N 1 0 391.309 4.225 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)Nc3ccc(O[C@H]4CCOC4)cc3)ccc21 ZINC000455906989 822746564 /nfs/dbraw/zinc/74/65/64/822746564.db2.gz HXPYNRJKJIZWGU-FPOVZHCZSA-N 1 0 381.476 4.047 20 0 GIADRO CN(C)c1ccncc1C[NH2+]Cc1ccccc1-c1ccc(Cn2ccnc2)cc1 ZINC000185184545 822746685 /nfs/dbraw/zinc/74/66/85/822746685.db2.gz OIOFJKWYLBEBOH-UHFFFAOYSA-N 1 0 397.526 4.349 20 0 GIADRO COc1ccc(NC(=O)CC[N@H+](C)C[C@H]2CCCO[C@@H]2c2ccccc2)cc1 ZINC000051131952 822746955 /nfs/dbraw/zinc/74/69/55/822746955.db2.gz FIRWENOPPQREQQ-AUSIDOKSSA-N 1 0 382.504 4.124 20 0 GIADRO C[N@@H+](CC(=O)NC12CC3CC(CC(C3)C1)C2)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133455 822747538 /nfs/dbraw/zinc/74/75/38/822747538.db2.gz YWRCMOUQCBJENX-VNDGQQBHSA-N 1 0 396.575 4.171 20 0 GIADRO COc1ccc2c(C[N@H+](C)C[C@H]3CCCO[C@@H]3c3ccccc3)cc(=O)oc2c1 ZINC000051133614 822747788 /nfs/dbraw/zinc/74/77/88/822747788.db2.gz MSVWTVCTEWJFCP-HOYKHHGWSA-N 1 0 393.483 4.401 20 0 GIADRO COc1cc(C[NH2+][C@@H]2CCCO[C@H]2CC(C)C)ccc1OCc1ccncc1 ZINC000185198842 822748244 /nfs/dbraw/zinc/74/82/44/822748244.db2.gz HCFIZYFOWONMAS-IRLDBZIGSA-N 1 0 384.520 4.353 20 0 GIADRO CCOC(=O)C1CC[NH+]([C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)CC1 ZINC000051159289 822748636 /nfs/dbraw/zinc/74/86/36/822748636.db2.gz SZAOFKVXGFDRMC-KRWDZBQOSA-N 1 0 380.488 4.275 20 0 GIADRO CCN(C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)[C@@H](COC)Cc1ccccc1 ZINC000455916835 822748877 /nfs/dbraw/zinc/74/88/77/822748877.db2.gz KOJHFYBZNWLYRG-GGAORHGYSA-N 1 0 395.547 4.347 20 0 GIADRO Cc1cc(C[NH2+]CC(=O)Nc2cccc(F)c2)cc(C)c1OCc1ccccn1 ZINC000051188771 822749917 /nfs/dbraw/zinc/74/99/17/822749917.db2.gz QBRIVSBQCFUEHP-UHFFFAOYSA-N 1 0 393.462 4.145 20 0 GIADRO O=C(Nc1cccc(C[NH2+][C@@H]2c3ccccc3C[C@@H]2O)c1)c1ccccc1Cl ZINC000051188140 822749952 /nfs/dbraw/zinc/74/99/52/822749952.db2.gz XVKILZKDAHNKJU-FCHUYYIVSA-N 1 0 392.886 4.340 20 0 GIADRO CC(C)(C)OC(=O)NC[C@@H]([NH2+]Cc1nc2cc(C(F)(F)F)ccc2o1)C1CC1 ZINC000185221898 822751091 /nfs/dbraw/zinc/75/10/91/822751091.db2.gz CBHSDMJEXVYTQU-CQSZACIVSA-N 1 0 399.413 4.240 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)NC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)c1 ZINC000455931822 822751931 /nfs/dbraw/zinc/75/19/31/822751931.db2.gz PUXVVCQZYKNVBV-SZNDQCEHSA-N 1 0 380.492 4.077 20 0 GIADRO Cc1cc([C@@H]2CN(C(=O)Nc3ccc4c(c3)CC[C@H]4[NH+](C)C)CCO2)ccc1F ZINC000455933196 822752301 /nfs/dbraw/zinc/75/23/01/822752301.db2.gz QJLPJOADSJVHDU-YADHBBJMSA-N 1 0 397.494 4.288 20 0 GIADRO CN(CC[N@H+](C)C1CC1)C(=O)N[C@@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000185231315 822752389 /nfs/dbraw/zinc/75/23/89/822752389.db2.gz GKHHJEDRZJJKNC-GOSISDBHSA-N 1 0 377.941 4.227 20 0 GIADRO COc1cc(C[N@H+](C[C@@H](O)c2c(F)cccc2F)C2CC2)ccc1OC(F)F ZINC000051262167 822752467 /nfs/dbraw/zinc/75/24/67/822752467.db2.gz IYVGCCNGBPYZHA-MRXNPFEDSA-N 1 0 399.384 4.273 20 0 GIADRO COc1cc(C[N@H+](C[C@H](O)c2cccc(F)c2)C2CC2)ccc1OC(F)F ZINC000051262162 822752504 /nfs/dbraw/zinc/75/25/04/822752504.db2.gz XRAMPYSDNZLQFS-KRWDZBQOSA-N 1 0 381.394 4.134 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)N2CCC[C@@H](C3CC3)C2)CC1 ZINC000455939739 822753639 /nfs/dbraw/zinc/75/36/39/822753639.db2.gz HDDPEHKYZUFHCH-MRXNPFEDSA-N 1 0 391.943 4.467 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)N2CC(C(C)(C)C)C2)CC1 ZINC000455940489 822753941 /nfs/dbraw/zinc/75/39/41/822753941.db2.gz IFOVVYMBHWESHO-UHFFFAOYSA-N 1 0 379.932 4.323 20 0 GIADRO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)C[C@H](C)Cc1ccc(OC)c(F)c1 ZINC000185245956 822754227 /nfs/dbraw/zinc/75/42/27/822754227.db2.gz YPJNMIFNDYZAJP-QGZVFWFLSA-N 1 0 386.511 4.237 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N(Cc3ccco3)C[C@@H]3CCCO3)ccc21 ZINC000455943838 822754857 /nfs/dbraw/zinc/75/48/57/822754857.db2.gz VOOYYRNCPKQUEA-FPOVZHCZSA-N 1 0 383.492 4.042 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)N2CCCC(C)(C)C2)CC1 ZINC000455944081 822754874 /nfs/dbraw/zinc/75/48/74/822754874.db2.gz MHVMKJQYDSIAKX-UHFFFAOYSA-N 1 0 379.932 4.467 20 0 GIADRO CC(C)COC[C@@H](NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)c1ccco1 ZINC000455945564 822755433 /nfs/dbraw/zinc/75/54/33/822755433.db2.gz WJLWLMJZRPTQPA-WOJBJXKFSA-N 1 0 385.508 4.364 20 0 GIADRO C[C@H](CNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)COCc1ccccc1 ZINC000455948293 822756210 /nfs/dbraw/zinc/75/62/10/822756210.db2.gz YEVYDGGUZFBAPL-VGSWGCGISA-N 1 0 381.520 4.210 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(OCC2CC2)nc1)c1cc(Br)ccc1O ZINC000185261668 822756299 /nfs/dbraw/zinc/75/62/99/822756299.db2.gz GBNOYOQXRZXAIQ-GFCCVEGCSA-N 1 0 377.282 4.189 20 0 GIADRO Cc1ccc(OC(F)F)c(CNC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)c1 ZINC000455951046 822756874 /nfs/dbraw/zinc/75/68/74/822756874.db2.gz ZZTLPXKYPHLWEE-SFHVURJKSA-N 1 0 389.446 4.467 20 0 GIADRO CC(C)c1ccc2c(c1)[C@@H]([NH2+]Cc1cnc(N3CCOCC3)c(F)c1)CCCO2 ZINC000185268821 822757222 /nfs/dbraw/zinc/75/72/22/822757222.db2.gz NTZUXUNEXJRHON-NRFANRHFSA-N 1 0 399.510 4.184 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H](C)c1cn(C)c2ccccc12 ZINC000185284024 822759481 /nfs/dbraw/zinc/75/94/81/822759481.db2.gz HBKAAPBFMGHBID-GOSISDBHSA-N 1 0 377.532 4.392 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)c1ccccc1C(F)(F)F ZINC000185289363 822760194 /nfs/dbraw/zinc/76/01/94/822760194.db2.gz VCIVJHPCGJYHCQ-AWEZNQCLSA-N 1 0 398.450 4.096 20 0 GIADRO Cc1ccc(C(=O)NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c(C2CC2)n1 ZINC000455994134 822763266 /nfs/dbraw/zinc/76/32/66/822763266.db2.gz LRZQTXYHZAHEAV-ICSRJNTNSA-N 1 0 377.532 4.298 20 0 GIADRO CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000051531386 822764537 /nfs/dbraw/zinc/76/45/37/822764537.db2.gz XVJJNWYGAIOUIC-HYBUGGRVSA-N 1 0 394.559 4.258 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)[C@H](C)c1cccnc1)c1ccc(C(F)(F)F)cc1 ZINC000174295601 822765611 /nfs/dbraw/zinc/76/56/11/822765611.db2.gz RWMDLGGDNICOED-DNVCBOLYSA-N 1 0 393.453 4.403 20 0 GIADRO C[C@H]([NH2+]Cc1ccc2c(c1)OCCCO2)c1ccc(Br)cc1O ZINC000185323458 822766078 /nfs/dbraw/zinc/76/60/78/822766078.db2.gz WIVGWCCCZCUGCY-LBPRGKRZSA-N 1 0 378.266 4.167 20 0 GIADRO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)NCc2cccc(COC(C)C)c2)cc1 ZINC000051649539 822771471 /nfs/dbraw/zinc/77/14/71/822771471.db2.gz GTGYAJXKEVHNLG-HSZRJFAPSA-N 1 0 396.531 4.074 20 0 GIADRO COc1cc(C)c([C@@H](C)NC(=O)C[N@@H+]2CCC[C@@H]2c2cccs2)cc1OC ZINC000051653525 822771568 /nfs/dbraw/zinc/77/15/68/822771568.db2.gz GMXZDQRRWXYBLN-NVXWUHKLSA-N 1 0 388.533 4.088 20 0 GIADRO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)NCc2ccc(COC(C)C)cc2)cc1 ZINC000051649538 822771621 /nfs/dbraw/zinc/77/16/21/822771621.db2.gz ITSZXTNYULXODY-QHCPKHFHSA-N 1 0 396.531 4.074 20 0 GIADRO CC(=O)N1CC[C@@H]([NH2+]Cc2cc(Br)cs2)c2ccc(F)cc2C1 ZINC000185361737 822771710 /nfs/dbraw/zinc/77/17/10/822771710.db2.gz GHFAKDSUFGTXHM-QGZVFWFLSA-N 1 0 397.313 4.233 20 0 GIADRO FC(F)(F)CN1CCC([NH2+]Cc2ccc(Br)cc2Cl)CC1 ZINC000174329424 822772239 /nfs/dbraw/zinc/77/22/39/822772239.db2.gz PRCHBRJBQFBNPP-UHFFFAOYSA-N 1 0 385.655 4.219 20 0 GIADRO Cc1cnc([C@H]([NH2+]C[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C2CC2)s1 ZINC000185365529 822772601 /nfs/dbraw/zinc/77/26/01/822772601.db2.gz MQSPGOZWNATSSG-MORSLUCNSA-N 1 0 380.941 4.284 20 0 GIADRO CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000051675949 822773242 /nfs/dbraw/zinc/77/32/42/822773242.db2.gz NNXAFOGSVMZIGP-LEWJYISDSA-N 1 0 387.568 4.060 20 0 GIADRO Cc1ccccc1-c1ccc(Cl)c(C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)c1 ZINC000456068878 822774031 /nfs/dbraw/zinc/77/40/31/822774031.db2.gz PCMUWQYHYVNIQO-SFHVURJKSA-N 1 0 399.966 4.071 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)N(C)[C@H](CO)c2ccc(Cl)cc2)cc1)C1CC1 ZINC000456071281 822774330 /nfs/dbraw/zinc/77/43/30/822774330.db2.gz FCYYMEGLYNOQGI-OAQYLSRUSA-N 1 0 386.923 4.130 20 0 GIADRO C[C@H](NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)c1ccc(-c2ccncc2)cc1 ZINC000174340807 822774722 /nfs/dbraw/zinc/77/47/22/822774722.db2.gz SIQKPVVEMNCODV-WMZHIEFXSA-N 1 0 392.547 4.470 20 0 GIADRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc(Br)cc(OC(C)C)c2)C1 ZINC000174343152 822775218 /nfs/dbraw/zinc/77/52/18/822775218.db2.gz KYMXWTHUMGYZPN-OAHLLOKOSA-N 1 0 397.357 4.040 20 0 GIADRO CCc1noc(-c2ccc(CC[NH2+]C3CCN(Cc4ccccc4)CC3)cc2)n1 ZINC000174357914 822777327 /nfs/dbraw/zinc/77/73/27/822777327.db2.gz UQGRBSWNIKZRGD-UHFFFAOYSA-N 1 0 390.531 4.096 20 0 GIADRO CC(C)[NH+](CCCNC(=O)Nc1cccc(OCc2cccnc2)c1)C(C)C ZINC000174359428 822777544 /nfs/dbraw/zinc/77/75/44/822777544.db2.gz MJVBPXAAXYGXQC-UHFFFAOYSA-N 1 0 384.524 4.291 20 0 GIADRO C[C@@H](CCNC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000174361887 822777933 /nfs/dbraw/zinc/77/79/33/822777933.db2.gz VMWWHGMAZSRWCP-JKSUJKDBSA-N 1 0 385.474 4.182 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)cc1)C(=O)Nc1cccc2ncccc21 ZINC000174368336 822779063 /nfs/dbraw/zinc/77/90/63/822779063.db2.gz JUBDSFLHELDUKF-DLBZAZTESA-N 1 0 385.471 4.098 20 0 GIADRO 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 822780297 /nfs/dbraw/zinc/78/02/97/822780297.db2.gz KUNSHHABJBXWEN-YVECIDJPSA-N 1 0 388.396 4.085 20 0 GIADRO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1csc(Br)c1 ZINC000051855224 822780619 /nfs/dbraw/zinc/78/06/19/822780619.db2.gz WOUWXNBTCUWUKH-GFCCVEGCSA-N 1 0 377.311 4.284 20 0 GIADRO COc1ccccc1-c1ccc(C[NH2+]CC2(N3CCCCC3)CCOCC2)cc1 ZINC000174379987 822781086 /nfs/dbraw/zinc/78/10/86/822781086.db2.gz UOVOYWCPHKSORL-UHFFFAOYSA-N 1 0 394.559 4.487 20 0 GIADRO C[N@H+](Cc1ccccc1)C1(CNC(=O)c2ccc(Cl)c(N)c2Cl)CCC1 ZINC000456125886 822781137 /nfs/dbraw/zinc/78/11/37/822781137.db2.gz WVGIYZATHNKUOA-UHFFFAOYSA-N 1 0 392.330 4.360 20 0 GIADRO Cc1ccc2[nH]cc(CCC(=O)NCC3CC[NH+](Cc4cccs4)CC3)c2c1 ZINC000174389045 822782206 /nfs/dbraw/zinc/78/22/06/822782206.db2.gz LBJBFWFGDPLIAS-UHFFFAOYSA-N 1 0 395.572 4.499 20 0 GIADRO C[C@H](CCOc1ccccc1)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000174389753 822782357 /nfs/dbraw/zinc/78/23/57/822782357.db2.gz OFRYZVVWJZADAB-LQWHRVPQSA-N 1 0 386.561 4.352 20 0 GIADRO Clc1ccc(CN2CCC([NH2+]Cc3cn4ccccc4n3)CC2)cc1Cl ZINC000174391681 822782741 /nfs/dbraw/zinc/78/27/41/822782741.db2.gz ZHSLZPRVVKTBIM-UHFFFAOYSA-N 1 0 389.330 4.395 20 0 GIADRO Cc1ccccc1[C@@H]1CN(C(=O)c2cccc(C[NH+]3CCCC3)c2)[C@@H](C)CO1 ZINC000174393346 822783159 /nfs/dbraw/zinc/78/31/59/822783159.db2.gz PNVGACCBGWKDGJ-CVDCTZTESA-N 1 0 378.516 4.193 20 0 GIADRO CN(C[C@H](O)c1ccccc1C(F)(F)F)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174400421 822784640 /nfs/dbraw/zinc/78/46/40/822784640.db2.gz IMDYWPJYFWUREB-NQIIRXRSSA-N 1 0 392.465 4.193 20 0 GIADRO CN(Cc1csc(-c2ccccn2)n1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174405170 822785849 /nfs/dbraw/zinc/78/58/49/822785849.db2.gz HGKGFWUJVANHNP-IBGZPJMESA-N 1 0 378.545 4.159 20 0 GIADRO Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)NC(C)(C)CCC[NH+](C)C ZINC000456174857 822786356 /nfs/dbraw/zinc/78/63/56/822786356.db2.gz SPRNNWSJBNVBLX-UHFFFAOYSA-N 1 0 396.457 4.254 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cc(OC)ccc1OC ZINC000174412238 822786665 /nfs/dbraw/zinc/78/66/65/822786665.db2.gz PPSFEMUEEBXTLZ-IBGZPJMESA-N 1 0 397.519 4.080 20 0 GIADRO CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)NC(C)(C)CCC[NH+](C)C ZINC000456197779 822787681 /nfs/dbraw/zinc/78/76/81/822787681.db2.gz JKFWATNDNXRWJH-UHFFFAOYSA-N 1 0 397.523 4.122 20 0 GIADRO COc1cc([C@H](C)[NH2+]Cc2cc(O)cc(F)c2)ccc1OCc1ccncc1 ZINC000185471995 822788109 /nfs/dbraw/zinc/78/81/09/822788109.db2.gz BJBQYYJHDHTXBN-HNNXBMFYSA-N 1 0 382.435 4.365 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1ccccc1Oc1cccnc1 ZINC000052026553 822788156 /nfs/dbraw/zinc/78/81/56/822788156.db2.gz KRCJAGOYFIAWDZ-UHFFFAOYSA-N 1 0 387.483 4.400 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1ccccc1Oc1cccnc1)c1cccc(F)c1 ZINC000052026197 822788212 /nfs/dbraw/zinc/78/82/12/822788212.db2.gz IGMOJJGKAWQGKX-FQEVSTJZSA-N 1 0 379.435 4.046 20 0 GIADRO O[C@@H]1CCC[C@H](C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)C1 ZINC000174427492 822788579 /nfs/dbraw/zinc/78/85/79/822788579.db2.gz BDCNIXYTJNEOFL-NZQKXSOJSA-N 1 0 375.516 4.239 20 0 GIADRO O[C@@H]1CCC[C@@H](C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccs2)C1 ZINC000174429706 822789097 /nfs/dbraw/zinc/78/90/97/822789097.db2.gz WRYUQWXDGJIYOG-UYAOXDASSA-N 1 0 381.545 4.301 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)Nc2cc(F)c(OC)c(F)c2OC)cc1)C(C)C ZINC000456251393 822790066 /nfs/dbraw/zinc/79/00/66/822790066.db2.gz MDOAXVAGZWHQMB-UHFFFAOYSA-N 1 0 392.446 4.465 20 0 GIADRO Cc1cc2c(cc1C)[C@H](C(=O)Nc1ccc(C[NH+]3CCSCC3)cc1C)CO2 ZINC000185495418 822790583 /nfs/dbraw/zinc/79/05/83/822790583.db2.gz NNOQZUMQTIWGNS-HXUWFJFHSA-N 1 0 396.556 4.275 20 0 GIADRO CCc1ccc(C[NH2+]Cc2cccnc2Oc2cccc(S(C)(=O)=O)c2)cc1 ZINC000174445258 822790568 /nfs/dbraw/zinc/79/05/68/822790568.db2.gz KGCRMDNTXQVESD-UHFFFAOYSA-N 1 0 396.512 4.130 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)c3cc(Br)cc4[nH]cnc43)ccc21 ZINC000456255031 822790572 /nfs/dbraw/zinc/79/05/72/822790572.db2.gz AYVYYVPHOQPWQR-KRWDZBQOSA-N 1 0 399.292 4.127 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)c3ccc(OC[C@@H]4CCCO4)cc3)ccc21 ZINC000456255987 822790603 /nfs/dbraw/zinc/79/06/03/822790603.db2.gz CHMCRUKPGXAIDD-RBBKRZOGSA-N 1 0 380.488 4.046 20 0 GIADRO CCC1CCC([NH2+]Cc2cccnc2Oc2cccc(S(C)(=O)=O)c2)CC1 ZINC000174445740 822790765 /nfs/dbraw/zinc/79/07/65/822790765.db2.gz QCPALSNRIPNDRG-UHFFFAOYSA-N 1 0 388.533 4.336 20 0 GIADRO CCc1nc(C)c([C@H](C)N(C)C(=O)NCc2cccc(C[N@@H+](C)CC)c2)s1 ZINC000174450771 822791479 /nfs/dbraw/zinc/79/14/79/822791479.db2.gz AWNNXUIDIITFAB-INIZCTEOSA-N 1 0 388.581 4.368 20 0 GIADRO O=C(NC1CCCCC1)NC1CC[NH+](CC2CCC(C(F)(F)F)CC2)CC1 ZINC000185504446 822791564 /nfs/dbraw/zinc/79/15/64/822791564.db2.gz UVBWMKGUCHGQAA-UHFFFAOYSA-N 1 0 389.506 4.451 20 0 GIADRO C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)cc1 ZINC000456267358 822791931 /nfs/dbraw/zinc/79/19/31/822791931.db2.gz IVIKHIUUYATREG-IFZYUDKTSA-N 1 0 377.488 4.082 20 0 GIADRO COc1ccc(CCCC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)c(OC)c1 ZINC000456269237 822792110 /nfs/dbraw/zinc/79/21/10/822792110.db2.gz JUFRRCZKBORDPH-OAQYLSRUSA-N 1 0 382.504 4.214 20 0 GIADRO Cc1cc(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)c(C)n1Cc1ccncc1 ZINC000456273560 822792493 /nfs/dbraw/zinc/79/24/93/822792493.db2.gz LXWDPXMWIOEZAL-HSZRJFAPSA-N 1 0 388.515 4.349 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)N2Cc3ccccc3C3(CC3)C2)[C@@H]1c1cccs1 ZINC000185518350 822792858 /nfs/dbraw/zinc/79/28/58/822792858.db2.gz ZSEFVRKRYNCFLV-DYESRHJHSA-N 1 0 395.572 4.388 20 0 GIADRO CSc1nc(C(C)C)nc(C)c1C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000456277498 822793125 /nfs/dbraw/zinc/79/31/25/822793125.db2.gz OLPDLGNTIBMERD-QGZVFWFLSA-N 1 0 384.549 4.432 20 0 GIADRO CN(C)[C@@H](C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)c1c(F)cccc1Cl ZINC000456277470 822793128 /nfs/dbraw/zinc/79/31/28/822793128.db2.gz OKFLOKZYOIBMAD-AZUAARDMSA-N 1 0 389.902 4.269 20 0 GIADRO CC(C)c1nn(-c2ccccc2)c(Cl)c1C[NH2+]CCCOC1CCOCC1 ZINC000174462414 822793387 /nfs/dbraw/zinc/79/33/87/822793387.db2.gz IKVPXJBOIVHABI-UHFFFAOYSA-N 1 0 391.943 4.324 20 0 GIADRO Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[NH2+]CCCOC1CCOCC1 ZINC000174463192 822793622 /nfs/dbraw/zinc/79/36/22/822793622.db2.gz SBCLDPGNSQDTBD-UHFFFAOYSA-N 1 0 398.334 4.163 20 0 GIADRO Cc1csc([C@@H](NC(=O)NC(C)(C)CC[NH+]2CCCCCC2)C2CC2)n1 ZINC000185530364 822793859 /nfs/dbraw/zinc/79/38/59/822793859.db2.gz WEFRZXCZVVEKBX-KRWDZBQOSA-N 1 0 378.586 4.247 20 0 GIADRO COc1cc(C[NH2+]CC(C)(C)C[C@@H](C)O)ccc1OCc1ccc(F)cc1 ZINC000174464820 822793871 /nfs/dbraw/zinc/79/38/71/822793871.db2.gz YZLGEVKBYKZEKG-MRXNPFEDSA-N 1 0 375.484 4.300 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[C@@H]1COc2ccccc21 ZINC000185544173 822795186 /nfs/dbraw/zinc/79/51/86/822795186.db2.gz BKGCRLJIBLUZFK-FZMZJTMJSA-N 1 0 398.812 4.452 20 0 GIADRO COc1ccc(-c2nc(C[NH2+][C@H](C)[C@H]3COc4ccccc43)cs2)c(OC)c1 ZINC000185546064 822795263 /nfs/dbraw/zinc/79/52/63/822795263.db2.gz VIMCRUSUAKJLBZ-AUUYWEPGSA-N 1 0 396.512 4.482 20 0 GIADRO CC(C)Oc1ccc(NC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)c(F)c1 ZINC000052267030 822795321 /nfs/dbraw/zinc/79/53/21/822795321.db2.gz QRKRWYXRNXKIGM-UHFFFAOYSA-N 1 0 385.483 4.353 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2nc3c(s2)CCCC3)[C@@H]1c1cccs1 ZINC000174502342 822797738 /nfs/dbraw/zinc/79/77/38/822797738.db2.gz ONMQAIAAFMBIGZ-CXAGYDPISA-N 1 0 390.578 4.288 20 0 GIADRO CC(C)c1c(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cnn1-c1ccccc1Cl ZINC000456328363 822798812 /nfs/dbraw/zinc/79/88/12/822798812.db2.gz IIWQBUKDOJMRMB-MQVJKMGUSA-N 1 0 386.927 4.004 20 0 GIADRO CC[C@H](NC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1)c1ccncc1 ZINC000174511990 822799287 /nfs/dbraw/zinc/79/92/87/822799287.db2.gz PHFYKCVPCXSNMM-OALUTQOASA-N 1 0 386.565 4.367 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000174512802 822799351 /nfs/dbraw/zinc/79/93/51/822799351.db2.gz RWGANWMBKZRTGH-ZDUSSCGKSA-N 1 0 397.466 4.243 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2oc3ccccc3c2COc2ccccc2)C1 ZINC000174517577 822799960 /nfs/dbraw/zinc/79/99/60/822799960.db2.gz LRPMXTSDTFIZKW-GOSISDBHSA-N 1 0 392.499 4.426 20 0 GIADRO CCn1ccnc1[C@@H](C)NC(=O)[C@H](c1cccc(C(F)(F)F)c1)[NH+](CC)CC ZINC000456339331 822800004 /nfs/dbraw/zinc/80/00/04/822800004.db2.gz CACVJVCNGPFTQB-PBHICJAKSA-N 1 0 396.457 4.182 20 0 GIADRO C[C@@H]1CN(C(=O)CCc2cncc3ccccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000456348392 822800890 /nfs/dbraw/zinc/80/08/90/822800890.db2.gz VGHQMEVRTAKCQQ-FQEVSTJZSA-N 1 0 387.527 4.148 20 0 GIADRO CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C(F)(F)F)c2ccc(F)cc2C1 ZINC000185603633 822801137 /nfs/dbraw/zinc/80/11/37/822801137.db2.gz XGHKZQMXFLHIGA-LJQANCHMSA-N 1 0 380.385 4.428 20 0 GIADRO CCC(CC)n1nc(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)cc1C ZINC000456351972 822801244 /nfs/dbraw/zinc/80/12/44/822801244.db2.gz XQMCRDBGLSYNBU-GOSISDBHSA-N 1 0 382.552 4.147 20 0 GIADRO C[C@H]1CN(C(=O)CCCCC(=O)c2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC000456352061 822801368 /nfs/dbraw/zinc/80/13/68/822801368.db2.gz XVTNKSYSKZPIBR-OAQYLSRUSA-N 1 0 392.543 4.410 20 0 GIADRO Cc1nn(Cc2ccccc2Cl)c(Cl)c1C[NH2+]C[C@](C)(O)c1ccco1 ZINC000174530851 822801976 /nfs/dbraw/zinc/80/19/76/822801976.db2.gz HBOAKFWDGNNQTP-IBGZPJMESA-N 1 0 394.302 4.137 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)[C@H]1COc2ccccc21 ZINC000185610879 822802033 /nfs/dbraw/zinc/80/20/33/822802033.db2.gz XNTFHIJDIVRKPJ-BXUZGUMPSA-N 1 0 396.821 4.034 20 0 GIADRO O=C([C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174531670 822802062 /nfs/dbraw/zinc/80/20/62/822802062.db2.gz KESMBNQNEQCQDR-ATZDWAIDSA-N 1 0 380.454 4.143 20 0 GIADRO O=C([C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174531661 822802138 /nfs/dbraw/zinc/80/21/38/822802138.db2.gz KESMBNQNEQCQDR-AYOQOUSVSA-N 1 0 380.454 4.143 20 0 GIADRO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1ccc(SCc2csc(C)n2)cc1 ZINC000456361999 822802148 /nfs/dbraw/zinc/80/21/48/822802148.db2.gz WJAVOZCQIZFQGM-SFHVURJKSA-N 1 0 389.590 4.300 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)C1 ZINC000174533832 822802329 /nfs/dbraw/zinc/80/23/29/822802329.db2.gz XLCNJWKXUBIROM-TUACAJSNSA-N 1 0 392.543 4.169 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1ccc(Br)cc1Cl)c1ccsc1 ZINC000052517545 822802366 /nfs/dbraw/zinc/80/23/66/822802366.db2.gz WIEYPILOEDDEHV-CQSZACIVSA-N 1 0 387.730 4.197 20 0 GIADRO CCc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)cc1 ZINC000185618995 822802946 /nfs/dbraw/zinc/80/29/46/822802946.db2.gz MWYCYNVTGNRMIN-JSGCOSHPSA-N 1 0 396.457 4.302 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]CCOc1ccc(Cl)cc1 ZINC000185620227 822803153 /nfs/dbraw/zinc/80/31/53/822803153.db2.gz XVAQYGHTCRAJGF-NSHDSACASA-N 1 0 375.822 4.445 20 0 GIADRO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+]Cc1cc(C)c(OCc2ccccn2)c(C)c1 ZINC000174544344 822803245 /nfs/dbraw/zinc/80/32/45/822803245.db2.gz LOORNUOHCSVLPS-GOSISDBHSA-N 1 0 392.547 4.349 20 0 GIADRO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+]Cc1csc(COc2ccc(C)cc2)n1 ZINC000174544379 822803282 /nfs/dbraw/zinc/80/32/82/822803282.db2.gz VOPVWOHQAKWWCQ-OAHLLOKOSA-N 1 0 384.549 4.102 20 0 GIADRO O=C(c1cccc(OCc2cccs2)c1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000174547438 822803543 /nfs/dbraw/zinc/80/35/43/822803543.db2.gz AVJUPHDWLBONIY-SFHVURJKSA-N 1 0 384.545 4.275 20 0 GIADRO CN(C[C@H]1CCCCO1)C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000052559859 822803799 /nfs/dbraw/zinc/80/37/99/822803799.db2.gz MFUPETUYYNCYFF-JOCHJYFZSA-N 1 0 387.568 4.162 20 0 GIADRO CC(C)n1cnnc1[C@H]1CCC[N@H+](CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000174552512 822804125 /nfs/dbraw/zinc/80/41/25/822804125.db2.gz SEWSTLGCMHSZPM-HNNXBMFYSA-N 1 0 382.430 4.136 20 0 GIADRO O=C([C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174553137 822804225 /nfs/dbraw/zinc/80/42/25/822804225.db2.gz VMSWYVUUHXQFCR-FHLIZLRMSA-N 1 0 381.347 4.431 20 0 GIADRO CCOc1ccc(Oc2ccc(NC(=O)N3CC[C@H]([NH+]4CC=CC4)C3)cc2)cc1 ZINC000174558741 822804895 /nfs/dbraw/zinc/80/48/95/822804895.db2.gz JRBLHXMAGCFIIJ-IBGZPJMESA-N 1 0 393.487 4.356 20 0 GIADRO O=C(C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1)NC1(c2ccccc2)CCC1 ZINC000052612106 822805233 /nfs/dbraw/zinc/80/52/33/822805233.db2.gz OCMRSFOJHPBOAV-GOSISDBHSA-N 1 0 389.499 4.203 20 0 GIADRO CSC1(C[NH2+]Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)CCOCC1 ZINC000174563471 822805393 /nfs/dbraw/zinc/80/53/93/822805393.db2.gz UHTMMFANPNLAHK-UHFFFAOYSA-N 1 0 379.957 4.144 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)Nc2cc(Cl)ccc2N2CCCCC2)CC[N@@H+]1C ZINC000174568450 822806085 /nfs/dbraw/zinc/80/60/85/822806085.db2.gz CRLCJCBVUNWDMI-RDJZCZTQSA-N 1 0 378.948 4.277 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(F)cc2F)cc1OCC ZINC000052659814 822806609 /nfs/dbraw/zinc/80/66/09/822806609.db2.gz IPUQQEPMQMTFMO-KBPBESRZSA-N 1 0 392.446 4.440 20 0 GIADRO COC(=O)COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(Br)cc2)cc1 ZINC000185657707 822807573 /nfs/dbraw/zinc/80/75/73/822807573.db2.gz UERPBCGPCHHNFI-UONOGXRCSA-N 1 0 392.293 4.413 20 0 GIADRO C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3ccc(Cl)c4cccnc34)CC2)C1 ZINC000052703218 822807653 /nfs/dbraw/zinc/80/76/53/822807653.db2.gz MVKUBUAPRUBKRV-INIZCTEOSA-N 1 0 385.939 4.359 20 0 GIADRO C[C@H](NCC(=O)N(Cc1ccccc1)C(C)(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185663356 822808125 /nfs/dbraw/zinc/80/81/25/822808125.db2.gz PLGIATJFHKNLQM-PZJWPPBQSA-N 1 0 385.596 4.056 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)CCc2ncc(C(C)(C)C)o2)CC1 ZINC000185671089 822808560 /nfs/dbraw/zinc/80/85/60/822808560.db2.gz VIABRYOCWBVNNY-QGZVFWFLSA-N 1 0 383.536 4.247 20 0 GIADRO O=C(NC1CC[NH+](Cc2cc(-c3ccc(F)cc3)no2)CC1)c1ccccc1F ZINC000052727611 822808659 /nfs/dbraw/zinc/80/86/59/822808659.db2.gz SZGBGNHFGPUFCZ-UHFFFAOYSA-N 1 0 397.425 4.014 20 0 GIADRO C[C@@H](NCC(=O)Nc1ccccc1SC(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185674223 822808818 /nfs/dbraw/zinc/80/88/18/822808818.db2.gz MPUZWJCWVAVYNI-CABCVRRESA-N 1 0 397.535 4.182 20 0 GIADRO C[C@@H](N[C@@H](C)C(=O)Nc1cccc2ccccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185678482 822809440 /nfs/dbraw/zinc/80/94/40/822809440.db2.gz OMLJSIFXKBKYCJ-WSTZPKSXSA-N 1 0 379.548 4.409 20 0 GIADRO Cc1ccc(Oc2ccccc2NC(=O)C[N@H+](C[C@H]2CCOC2)C2CC2)cc1 ZINC000052753495 822809627 /nfs/dbraw/zinc/80/96/27/822809627.db2.gz VCTZPQOPVNZTPC-GOSISDBHSA-N 1 0 380.488 4.227 20 0 GIADRO C[C@@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)[N@H+](C)CCCc1ccccc1 ZINC000052802896 822810861 /nfs/dbraw/zinc/81/08/61/822810861.db2.gz HQUNMABAWXSIRN-NSHDSACASA-N 1 0 386.364 4.274 20 0 GIADRO O=C(Nc1ccccc1)C1CC[NH+](Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000052799407 822810957 /nfs/dbraw/zinc/81/09/57/822810957.db2.gz BMPJWOQMYXUIGU-UHFFFAOYSA-N 1 0 392.421 4.478 20 0 GIADRO CN(c1ccc(NC(=O)c2ccc(F)c(Cl)c2F)cc1)C1CC[NH+](C)CC1 ZINC000185701585 822811653 /nfs/dbraw/zinc/81/16/53/822811653.db2.gz RCEOTDYNHWXKBS-UHFFFAOYSA-N 1 0 393.865 4.401 20 0 GIADRO COc1ccccc1O[C@@H](C)C[NH2+]Cc1ccccc1OCc1cccnc1 ZINC000174607828 822811818 /nfs/dbraw/zinc/81/18/18/822811818.db2.gz OKXTYMDLYVDASO-SFHVURJKSA-N 1 0 378.472 4.226 20 0 GIADRO CC(C)[C@H](NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000174608437 822811932 /nfs/dbraw/zinc/81/19/32/822811932.db2.gz WKEAXLOUVAZNMZ-MSOLQXFVSA-N 1 0 381.442 4.058 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)NCc1ccc(C(F)F)cc1 ZINC000185704033 822812003 /nfs/dbraw/zinc/81/20/03/822812003.db2.gz ZNLVRIWPOMVFDX-UHFFFAOYSA-N 1 0 379.426 4.037 20 0 GIADRO C[C@@H](CC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)Cc1cccc(F)c1 ZINC000174612723 822812587 /nfs/dbraw/zinc/81/25/87/822812587.db2.gz ADRHVBZZQOGGQX-KNQAVFIVSA-N 1 0 382.523 4.075 20 0 GIADRO Cc1noc([C@@H]2CCC[N@H+](Cc3cccc(C(=O)Nc4ccccc4)c3)C2)n1 ZINC000052863711 822813340 /nfs/dbraw/zinc/81/33/40/822813340.db2.gz FDBIQLZCKXPIFR-LJQANCHMSA-N 1 0 376.460 4.010 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)N[C@H]2CCO[C@H](c3cccs3)C2)cc1)C1CC1 ZINC000456539191 822814165 /nfs/dbraw/zinc/81/41/65/822814165.db2.gz OFGNMGDBFOYYRM-ICSRJNTNSA-N 1 0 384.545 4.383 20 0 GIADRO Fc1cccc(C2([NH2+]Cc3cc(Cl)c4c(c3)OCCO4)CCOCC2)c1 ZINC000174648461 822817553 /nfs/dbraw/zinc/81/75/53/822817553.db2.gz CESLPFQDIKGCOX-UHFFFAOYSA-N 1 0 377.843 4.046 20 0 GIADRO C[C@@H]([NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cccc(-n2ccnc2)c1 ZINC000174651438 822817920 /nfs/dbraw/zinc/81/79/20/822817920.db2.gz JSWJIBAUELLSCM-QZTJIDSGSA-N 1 0 384.524 4.170 20 0 GIADRO C[N@H+](Cc1ccc(C(F)(F)F)cc1)C1CCN(CCc2ccccn2)CC1 ZINC000174655681 822818728 /nfs/dbraw/zinc/81/87/28/822818728.db2.gz BQVFHAREHPULFU-UHFFFAOYSA-N 1 0 377.454 4.239 20 0 GIADRO COc1cccc(NC(=O)CC[N@@H+]2CCC[C@@H]2c2nc3ccccc3s2)c1 ZINC000174655672 822818819 /nfs/dbraw/zinc/81/88/19/822818819.db2.gz QLELZGQTKZNRMC-GOSISDBHSA-N 1 0 381.501 4.471 20 0 GIADRO COc1ccc(C[NH+]2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)cc1F ZINC000053019245 822818885 /nfs/dbraw/zinc/81/88/85/822818885.db2.gz ZGXHAOFFQLTRBB-UHFFFAOYSA-N 1 0 392.858 4.044 20 0 GIADRO Cc1cccc(C2(C(=O)NC3CC[NH+](Cc4ccc(Cl)cc4)CC3)CC2)c1 ZINC000053024332 822818991 /nfs/dbraw/zinc/81/89/91/822818991.db2.gz PWXPKAJKIOEPJC-UHFFFAOYSA-N 1 0 382.935 4.461 20 0 GIADRO O=C(CCc1cc(F)ccc1F)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000053024320 822819013 /nfs/dbraw/zinc/81/90/13/822819013.db2.gz HTFBLORYKZFUSZ-UHFFFAOYSA-N 1 0 392.877 4.332 20 0 GIADRO CCOc1ccc(-c2nc(CN[C@@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)co2)cc1 ZINC000185768088 822819334 /nfs/dbraw/zinc/81/93/34/822819334.db2.gz SAOZRQZTVLBGEO-PKOBYXMFSA-N 1 0 383.536 4.483 20 0 GIADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C2(Cc3cccc(F)c3)CCC2)cc1 ZINC000185768774 822819414 /nfs/dbraw/zinc/81/94/14/822819414.db2.gz JTFKPFWRTQYBJV-UHFFFAOYSA-N 1 0 397.494 4.067 20 0 GIADRO O=C(NCc1ccc(F)cc1)C1CC[NH+](Cc2cc(F)cc3cccnc32)CC1 ZINC000053049993 822819781 /nfs/dbraw/zinc/81/97/81/822819781.db2.gz KEFPBPXCTCLGBG-UHFFFAOYSA-N 1 0 395.453 4.041 20 0 GIADRO Cc1nc(CSc2ccc(C(=O)N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2)cs1 ZINC000174660534 822819859 /nfs/dbraw/zinc/81/98/59/822819859.db2.gz AODTUSWCYOVVBB-MSOLQXFVSA-N 1 0 387.574 4.053 20 0 GIADRO Cc1csc2nc(C[N@@H+]3CCC[C@H]3Cc3c(F)cccc3Cl)cc(=O)n12 ZINC000053086086 822820981 /nfs/dbraw/zinc/82/09/81/822820981.db2.gz QRCJYXDIOXCWIT-AWEZNQCLSA-N 1 0 391.899 4.064 20 0 GIADRO CCCCn1c(SC[C@H](O)c2ccc(C)cc2)nnc1[C@H](CC)N(C)C ZINC000174668858 822821249 /nfs/dbraw/zinc/82/12/49/822821249.db2.gz LXKIJUMDPBGPQP-ROUUACIJSA-N 1 0 376.570 4.225 20 0 GIADRO COc1ccc(C[N@H+](Cc2cc(=O)n3cc(Cl)ccc3n2)[C@H](C)C2CC2)cc1 ZINC000053097723 822821642 /nfs/dbraw/zinc/82/16/42/822821642.db2.gz HUZIHCXILFJMEW-OAHLLOKOSA-N 1 0 397.906 4.157 20 0 GIADRO Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000174676367 822821911 /nfs/dbraw/zinc/82/19/11/822821911.db2.gz JIMOHWBXUMKHQA-NEPJUHHUSA-N 1 0 381.954 4.142 20 0 GIADRO O=C(CCC(=O)c1cc(Cl)sc1Cl)NC1CC[NH+](C2CCC2)CC1 ZINC000456681849 822822177 /nfs/dbraw/zinc/82/21/77/822822177.db2.gz IEVPHENRYHOXCZ-UHFFFAOYSA-N 1 0 389.348 4.151 20 0 GIADRO CCC(CC)(C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1)c1ccccc1 ZINC000174678980 822822357 /nfs/dbraw/zinc/82/23/57/822822357.db2.gz JHFBLOARIKKHMV-UHFFFAOYSA-N 1 0 381.520 4.273 20 0 GIADRO c1csc(C[N@H+](CCCc2nc(-c3cccs3)no2)C[C@@H]2CCCO2)c1 ZINC000053134002 822823117 /nfs/dbraw/zinc/82/31/17/822823117.db2.gz QHGCSNIQIFGPTF-HNNXBMFYSA-N 1 0 389.546 4.473 20 0 GIADRO COCc1c(C(=O)N(CC[NH+](C)C)C2CCCC2)sc2cccc(F)c21 ZINC000053152015 822823846 /nfs/dbraw/zinc/82/38/46/822823846.db2.gz WHPVENUJGYBVEK-UHFFFAOYSA-N 1 0 378.513 4.133 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(C(F)(F)F)cc1 ZINC000185820106 822824345 /nfs/dbraw/zinc/82/43/45/822824345.db2.gz KZYOXBJPOSAJMA-CQSZACIVSA-N 1 0 398.450 4.096 20 0 GIADRO C[NH+]1CCC(Nc2ccccc2NC(=O)[C@H]2C[C@]23CCc2ccccc23)CC1 ZINC000174694722 822824436 /nfs/dbraw/zinc/82/44/36/822824436.db2.gz RKOHKOOMOMYJNO-YKSBVNFPSA-N 1 0 375.516 4.035 20 0 GIADRO Cc1cccn2c(=O)cc(C[NH2+][C@@H](C)[C@H](C)c3ccccc3C(F)(F)F)nc12 ZINC000185823879 822824543 /nfs/dbraw/zinc/82/45/43/822824543.db2.gz BSDMWBQFYARCQG-GJZGRUSLSA-N 1 0 389.421 4.304 20 0 GIADRO CC(=O)Nc1ccc2c(C[N@@H+]3CCC[C@H]3CCc3ccccc3)cc(=O)oc2c1 ZINC000053182097 822825202 /nfs/dbraw/zinc/82/52/02/822825202.db2.gz NEWQSKJEOZUHIU-NRFANRHFSA-N 1 0 390.483 4.349 20 0 GIADRO O=C(Nc1ccccc1)c1nnc(C[NH2+]C2(Cc3ccccc3)CCCC2)s1 ZINC000185833315 822825638 /nfs/dbraw/zinc/82/56/38/822825638.db2.gz YIZLXASLRIWLKU-UHFFFAOYSA-N 1 0 392.528 4.436 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C3CCN(CC(F)(F)F)CC3)cc2)C1 ZINC000053190950 822825771 /nfs/dbraw/zinc/82/57/71/822825771.db2.gz PQQZKHUOWOEMPS-MRXNPFEDSA-N 1 0 397.485 4.131 20 0 GIADRO COC(C)(C)C[C@H](C)[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000185845214 822826786 /nfs/dbraw/zinc/82/67/86/822826786.db2.gz MHJWNVDOFSGCNW-VIFPVBQESA-N 1 0 394.151 4.087 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)c1c(F)ccc(SCC2CC2)c1F ZINC000456726639 822827268 /nfs/dbraw/zinc/82/72/68/822827268.db2.gz JVXHXEHHESXREE-UHFFFAOYSA-N 1 0 380.504 4.214 20 0 GIADRO COc1ccc([C@H](CNC(=O)N(C)[C@@H](C)c2cccs2)[NH+]2CCCC2)cc1 ZINC000053235564 822827457 /nfs/dbraw/zinc/82/74/57/822827457.db2.gz IIRIDZMRGAKLSH-LPHOPBHVSA-N 1 0 387.549 4.296 20 0 GIADRO CC(C)[N@H+](Cc1ccc(Cl)c(Cl)c1)Cc1cc(=O)n2ccccc2n1 ZINC000053265699 822828329 /nfs/dbraw/zinc/82/83/29/822828329.db2.gz FLIDWYZNZSPGEX-UHFFFAOYSA-N 1 0 376.287 4.412 20 0 GIADRO COc1ccccc1C[C@H]([NH2+]CC(=O)N(C)c1nc2ccccc2s1)C(C)C ZINC000185869587 822828689 /nfs/dbraw/zinc/82/86/89/822828689.db2.gz SOCJEHJOKZEXEW-SFHVURJKSA-N 1 0 397.544 4.125 20 0 GIADRO COc1ccccc1C[C@@H]([NH2+]Cc1nnc(-c2ccccc2OC)o1)C(C)C ZINC000185877960 822829556 /nfs/dbraw/zinc/82/95/56/822829556.db2.gz PJBTZXDJXXHDQT-GOSISDBHSA-N 1 0 381.476 4.111 20 0 GIADRO Cc1oc(-c2ccccc2)nc1CC(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000053304049 822829669 /nfs/dbraw/zinc/82/96/69/822829669.db2.gz ZQHPTPPGJJVFES-IRXDYDNUSA-N 1 0 383.536 4.065 20 0 GIADRO O=C(CCCc1cccc(C(F)(F)F)c1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000185885103 822829982 /nfs/dbraw/zinc/82/99/82/822829982.db2.gz GKTBBYHBNINWNC-GOSISDBHSA-N 1 0 382.470 4.363 20 0 GIADRO COCc1c(C(=O)NCC2(C[NH+](C)C)CCCC2)sc2cccc(F)c21 ZINC000185887403 822830183 /nfs/dbraw/zinc/83/01/83/822830183.db2.gz IDGJRMALPQLBSZ-UHFFFAOYSA-N 1 0 378.513 4.039 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@H+](CC1CCCCC1)C1CC1 ZINC000053360110 822831600 /nfs/dbraw/zinc/83/16/00/822831600.db2.gz MMPIAMOCHFENSD-UHFFFAOYSA-N 1 0 380.536 4.472 20 0 GIADRO CCC(=O)Nc1cccc(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000053358971 822831706 /nfs/dbraw/zinc/83/17/06/822831706.db2.gz FVJUKXSTNKRXLJ-GOSISDBHSA-N 1 0 393.531 4.197 20 0 GIADRO O=C(Nc1cc(Cl)cc(Cl)c1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000174750380 822832152 /nfs/dbraw/zinc/83/21/52/822832152.db2.gz YTMLNMDLRHISBU-UHFFFAOYSA-N 1 0 386.323 4.102 20 0 GIADRO C[NH+](C)Cc1ccsc1C(=O)N1CCC(Cc2cc(F)ccc2F)CC1 ZINC000456819475 822834686 /nfs/dbraw/zinc/83/46/86/822834686.db2.gz GPDROMGNNXPYDC-UHFFFAOYSA-N 1 0 378.488 4.183 20 0 GIADRO Cc1ccc(NC(=O)C(C)C)cc1NC(=O)N1CC[C@@H]2CC[C@H](C1)[N@@H+]2C(C)C ZINC000174779540 822835763 /nfs/dbraw/zinc/83/57/63/822835763.db2.gz BTDYNVXPKNVNKP-RBUKOAKNSA-N 1 0 386.540 4.069 20 0 GIADRO CC(C)COc1ccc(C(C)(C)CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000174786607 822836811 /nfs/dbraw/zinc/83/68/11/822836811.db2.gz FSOZMNJGOPLFOO-ICSRJNTNSA-N 1 0 389.584 4.123 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)Nc1cccc(-c2cc[nH]n2)c1 ZINC000185957357 822837153 /nfs/dbraw/zinc/83/71/53/822837153.db2.gz MRSLSAGAKZPPMB-LJQANCHMSA-N 1 0 379.464 4.018 20 0 GIADRO C[C@@H]1CCN(C(=O)Nc2ccc(-n3cccn3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000174790931 822837281 /nfs/dbraw/zinc/83/72/81/822837281.db2.gz USUUGYODBMVQFL-LJQANCHMSA-N 1 0 389.503 4.001 20 0 GIADRO C[C@H](NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)c1nc(-c2ccccc2)cs1 ZINC000174791356 822837519 /nfs/dbraw/zinc/83/75/19/822837519.db2.gz BGIIHEFGQHSKQZ-WMZOPIPTSA-N 1 0 386.565 4.387 20 0 GIADRO CC1CC[NH+]([C@@H](CNC(=O)N(C)Cc2ccsc2)c2cccs2)CC1 ZINC000053537142 822839626 /nfs/dbraw/zinc/83/96/26/822839626.db2.gz YFKDXVDROAMFIS-KRWDZBQOSA-N 1 0 377.579 4.424 20 0 GIADRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)Nc1cccc(-c2cc[nH]n2)c1 ZINC000185978787 822840326 /nfs/dbraw/zinc/84/03/26/822840326.db2.gz PXEYUFOMKDEANG-NRFANRHFSA-N 1 0 375.476 4.035 20 0 GIADRO COc1ccc(NC(=O)[C@@H]([NH2+]CCC[C@@H]2CCCCO2)c2ccccc2)cc1 ZINC000186001803 822842786 /nfs/dbraw/zinc/84/27/86/822842786.db2.gz HVCWAJCKEMPYKH-VXKWHMMOSA-N 1 0 382.504 4.314 20 0 GIADRO COc1cccc(COCC(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)c1 ZINC000053619158 822843003 /nfs/dbraw/zinc/84/30/03/822843003.db2.gz CDBGKODPLXMENI-UHFFFAOYSA-N 1 0 382.504 4.082 20 0 GIADRO COc1ccc([C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)c2ccco2)cc1 ZINC000456990343 822845040 /nfs/dbraw/zinc/84/50/40/822845040.db2.gz FMCSFCSAORQJSK-PGRDOPGGSA-N 1 0 382.504 4.148 20 0 GIADRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000053718517 822845946 /nfs/dbraw/zinc/84/59/46/822845946.db2.gz JWIJDRUEEJCXMT-AZUAARDMSA-N 1 0 386.430 4.200 20 0 GIADRO Cc1c2ccccc2oc1[C@H](C)[NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1 ZINC000186035960 822846029 /nfs/dbraw/zinc/84/60/29/822846029.db2.gz CFHVPPPGBNONFL-INIZCTEOSA-N 1 0 384.501 4.132 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1cccc(Cl)c1Cl ZINC000186039031 822846128 /nfs/dbraw/zinc/84/61/28/822846128.db2.gz LYWWIBDRCKXSRV-CYBMUJFWSA-N 1 0 399.343 4.384 20 0 GIADRO CC[C@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(Cl)s1 ZINC000186041267 822846444 /nfs/dbraw/zinc/84/64/44/822846444.db2.gz BWNMACGDBSMKSW-HNNXBMFYSA-N 1 0 384.954 4.182 20 0 GIADRO CC(C)Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)cc1 ZINC000186045221 822846876 /nfs/dbraw/zinc/84/68/76/822846876.db2.gz ZIMJMFGCLPDNJA-GOSISDBHSA-N 1 0 386.561 4.276 20 0 GIADRO O=C(CC[NH+]1CCC(C(=O)C(F)(F)F)CC1)Nc1cccc2ccccc21 ZINC000186050236 822847396 /nfs/dbraw/zinc/84/73/96/822847396.db2.gz OTCJQQHAGGWCJA-UHFFFAOYSA-N 1 0 378.394 4.012 20 0 GIADRO Cc1ccc(C(=O)NC(C)(C)C[NH+]2CCCC2)cc1NC(=O)Nc1ccccc1 ZINC000457046919 822848109 /nfs/dbraw/zinc/84/81/09/822848109.db2.gz HNMAAFSVEWRXEQ-UHFFFAOYSA-N 1 0 394.519 4.243 20 0 GIADRO CN(C(=O)c1cc(Cl)c2ccccc2n1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457067303 822849459 /nfs/dbraw/zinc/84/94/59/822849459.db2.gz KPQDJNKCQWQPHJ-UHFFFAOYSA-N 1 0 399.844 4.377 20 0 GIADRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)c2sccc2OC)cc1 ZINC000186085146 822850281 /nfs/dbraw/zinc/85/02/81/822850281.db2.gz LUSJLFYVANLGKF-HUUCEWRRSA-N 1 0 396.578 4.199 20 0 GIADRO CN(C(=O)[C@H]1CCC[C@H]1c1ccccc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457075046 822850357 /nfs/dbraw/zinc/85/03/57/822850357.db2.gz VUJBCHILCOGVDP-OALUTQOASA-N 1 0 382.470 4.446 20 0 GIADRO CN(C(=O)[C@H]1CCC[C@@H]1c1ccccc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457075045 822850436 /nfs/dbraw/zinc/85/04/36/822850436.db2.gz VUJBCHILCOGVDP-MOPGFXCFSA-N 1 0 382.470 4.446 20 0 GIADRO C[C@H](CCc1cccc(F)c1)C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457079532 822850753 /nfs/dbraw/zinc/85/07/53/822850753.db2.gz FPJIAALEMNJYKK-OAHLLOKOSA-N 1 0 388.449 4.270 20 0 GIADRO CC(C)c1cccc(OCC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000457080738 822850916 /nfs/dbraw/zinc/85/09/16/822850916.db2.gz GRMMKPLZPXPFSV-UHFFFAOYSA-N 1 0 386.458 4.064 20 0 GIADRO Cc1cnc([C@H](NC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)C2CC2)s1 ZINC000174889119 822851152 /nfs/dbraw/zinc/85/11/52/822851152.db2.gz CQUHJSWKIOGIMA-MAUKXSAKSA-N 1 0 386.565 4.331 20 0 GIADRO Cc1nc([C@H]2CCCN2C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)cs1 ZINC000186096703 822851233 /nfs/dbraw/zinc/85/12/33/822851233.db2.gz RSVVTXRCVROHLH-HXUWFJFHSA-N 1 0 398.576 4.135 20 0 GIADRO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000186100341 822851673 /nfs/dbraw/zinc/85/16/73/822851673.db2.gz QOHRTLKVSYINIX-KGLIPLIRSA-N 1 0 387.423 4.098 20 0 GIADRO COC[C@H]1CCCN(C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)CC1 ZINC000457088062 822851922 /nfs/dbraw/zinc/85/19/22/822851922.db2.gz PRIYMWKOXXPAHD-NRFANRHFSA-N 1 0 380.532 4.207 20 0 GIADRO CN(C(=O)[C@@H]1CCSc2ccccc21)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457089939 822852294 /nfs/dbraw/zinc/85/22/94/822852294.db2.gz UDVDGLNNBLWYDR-MRXNPFEDSA-N 1 0 386.483 4.141 20 0 GIADRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)Nc1ccc(Oc3ccc(Cl)cn3)cc1)C2 ZINC000174898392 822852380 /nfs/dbraw/zinc/85/23/80/822852380.db2.gz FTRHWRMKSWJKOO-DLBZAZTESA-N 1 0 386.883 4.228 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)c1sccc1OC)c1ccccc1OCC(=O)N(C)C ZINC000186116304 822853004 /nfs/dbraw/zinc/85/30/04/822853004.db2.gz XYEGNOIBVLVRMP-HOCLYGCPSA-N 1 0 376.522 4.026 20 0 GIADRO CCCCCC[NH2+][C@@H](c1ccc(OC)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000174902083 822853062 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4.407 20 0 GIADRO COc1ccc(S[C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000053968578 822855012 /nfs/dbraw/zinc/85/50/12/822855012.db2.gz PWBSGINFGDENAR-SFHVURJKSA-N 1 0 398.572 4.265 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1cccc(Oc2ccccc2)c1 ZINC000053990209 822855781 /nfs/dbraw/zinc/85/57/81/822855781.db2.gz BPYDNWRUGLBYAM-UHFFFAOYSA-N 1 0 387.483 4.268 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)C1c2ccccc2Oc2ccccc21 ZINC000053990219 822855791 /nfs/dbraw/zinc/85/57/91/822855791.db2.gz JMKXQMWTGYVQTG-UHFFFAOYSA-N 1 0 399.494 4.100 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CSc1ccc(F)c(F)c1 ZINC000174917688 822855790 /nfs/dbraw/zinc/85/57/90/822855790.db2.gz TZKFHQXBUFGHLQ-KRWDZBQOSA-N 1 0 390.499 4.037 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000174918104 822855929 /nfs/dbraw/zinc/85/59/29/822855929.db2.gz DNTIEMPAVMCNLO-IBGZPJMESA-N 1 0 390.449 4.228 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1c[nH]cc1-c1ccc(F)cc1 ZINC000174923033 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GIADRO C[C@H](C(=O)NCCCC[N@H+](C)C1CC1)c1cccc(C(=O)c2ccccc2)c1 ZINC000457162449 822858337 /nfs/dbraw/zinc/85/83/37/822858337.db2.gz FSUQMXDSNJUMRB-SFHVURJKSA-N 1 0 378.516 4.012 20 0 GIADRO C[N@H+](CCCCNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)C1CC1 ZINC000457165496 822858455 /nfs/dbraw/zinc/85/84/55/822858455.db2.gz AJQQCCKYWVRBGW-UHFFFAOYSA-N 1 0 388.515 4.144 20 0 GIADRO COc1ccc([C@@H](NC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)C2CC2)cc1 ZINC000054020179 822859072 /nfs/dbraw/zinc/85/90/72/822859072.db2.gz UKBRSRLNHNIWDP-QHCPKHFHSA-N 1 0 393.531 4.064 20 0 GIADRO CN(Cc1ccc(C(=O)N2CCCC2)cc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000174946757 822859518 /nfs/dbraw/zinc/85/95/18/822859518.db2.gz RFFPCHBBIRRSRE-XMMPIXPASA-N 1 0 391.559 4.019 20 0 GIADRO O=C(CC1CCOCC1)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457192636 822859675 /nfs/dbraw/zinc/85/96/75/822859675.db2.gz FFJQULWAUBDRNG-XMMPIXPASA-N 1 0 398.591 4.487 20 0 GIADRO O=C(c1cncs1)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457193260 822859838 /nfs/dbraw/zinc/85/98/38/822859838.db2.gz GQZMOEGJKNXDSM-HXUWFJFHSA-N 1 0 383.561 4.440 20 0 GIADRO O=C(CC[C@H]1CCOC1)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457193806 822859957 /nfs/dbraw/zinc/85/99/57/822859957.db2.gz JKOKYGIMYJBIML-UPVQGACJSA-N 1 0 398.591 4.487 20 0 GIADRO O=C([C@H]1CC1(F)F)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457195254 822860051 /nfs/dbraw/zinc/86/00/51/822860051.db2.gz OFMVNCSBZYHRDI-WOJBJXKFSA-N 1 0 376.491 4.325 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000174951750 822860238 /nfs/dbraw/zinc/86/02/38/822860238.db2.gz YJHHJPMVYUDSMU-FBBABVLZSA-N 1 0 384.470 4.049 20 0 GIADRO CN(Cc1csc(-c2ccccn2)n1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000174952574 822860468 /nfs/dbraw/zinc/86/04/68/822860468.db2.gz WOXOTAIQTCFCNV-FQEVSTJZSA-N 1 0 378.545 4.302 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1 ZINC000174954316 822860680 /nfs/dbraw/zinc/86/06/80/822860680.db2.gz DWNAJVHLFYPOQP-GFCCVEGCSA-N 1 0 392.758 4.249 20 0 GIADRO O=C(c1ccc(Cl)cc1C(F)(F)F)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000186204464 822860713 /nfs/dbraw/zinc/86/07/13/822860713.db2.gz JVDRNGRNOWTPNQ-PXAZEXFGSA-N 1 0 386.845 4.448 20 0 GIADRO O=C(c1ccc(Cl)cc1C(F)(F)F)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000186204444 822860764 /nfs/dbraw/zinc/86/07/64/822860764.db2.gz JVDRNGRNOWTPNQ-SJKOYZFVSA-N 1 0 386.845 4.448 20 0 GIADRO C[N@H+](CCCCNC(=O)c1cccnc1SCc1ccc(F)cc1)C1CC1 ZINC000457210342 822860928 /nfs/dbraw/zinc/86/09/28/822860928.db2.gz VDGYDTFNQCKSNP-UHFFFAOYSA-N 1 0 387.524 4.117 20 0 GIADRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@H]2CCOC(C)(C)C2)c1 ZINC000457220973 822861411 /nfs/dbraw/zinc/86/14/11/822861411.db2.gz VXPMQULMIIGPGA-NRFANRHFSA-N 1 0 380.532 4.254 20 0 GIADRO CC(=O)N(C)c1cccc(NC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)c1 ZINC000174960818 822861753 /nfs/dbraw/zinc/86/17/53/822861753.db2.gz RQPYCVQRXAJSSR-QGZVFWFLSA-N 1 0 394.519 4.016 20 0 GIADRO CC(=O)N(C)c1cccc(NC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1 ZINC000174960801 822861770 /nfs/dbraw/zinc/86/17/70/822861770.db2.gz RQPYCVQRXAJSSR-KRWDZBQOSA-N 1 0 394.519 4.016 20 0 GIADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000174961493 822861866 /nfs/dbraw/zinc/86/18/66/822861866.db2.gz CXUUEHLRQGSFPB-DIFFPNOSSA-N 1 0 391.314 4.103 20 0 GIADRO CN(Cc1nc2ccccc2s1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000054092806 822862054 /nfs/dbraw/zinc/86/20/54/822862054.db2.gz GWIQXEDGOZQNPG-UHFFFAOYSA-N 1 0 394.544 4.234 20 0 GIADRO Cc1[nH]c2ccc(C(=O)N(C)C[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc2c1C ZINC000174965427 822862287 /nfs/dbraw/zinc/86/22/87/822862287.db2.gz BATRYMJZJYNMBQ-FQEVSTJZSA-N 1 0 375.516 4.379 20 0 GIADRO Cc1ccc(NC(=O)c2cccc(-c3ccoc3)c2)cc1NC(=O)CC[NH+](C)C ZINC000186227912 822862739 /nfs/dbraw/zinc/86/27/39/822862739.db2.gz BPTYVZSDUHWJJZ-UHFFFAOYSA-N 1 0 391.471 4.398 20 0 GIADRO COc1ccc(S[C@H](C)C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000174969866 822862762 /nfs/dbraw/zinc/86/27/62/822862762.db2.gz RKGSCXJFBGPMOD-UYAOXDASSA-N 1 0 398.572 4.156 20 0 GIADRO CC(C)(C)OC(=O)C1CCC([NH2+][C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000186232454 822862991 /nfs/dbraw/zinc/86/29/91/822862991.db2.gz QAWXGMDTDMXDEK-NHADURIESA-N 1 0 381.463 4.285 20 0 GIADRO CCSCc1ccc(C(=O)Nc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)cc1 ZINC000186240335 822863915 /nfs/dbraw/zinc/86/39/15/822863915.db2.gz OPBQMWZLOHMHGC-UHFFFAOYSA-N 1 0 399.560 4.391 20 0 GIADRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H]2CCc3ccc(F)cc32)cc1 ZINC000174980991 822863878 /nfs/dbraw/zinc/86/38/78/822863878.db2.gz QNAIPWBWCUJLOH-QVKFZJNVSA-N 1 0 390.524 4.194 20 0 GIADRO O=C(CC[N@@H+]1Cc2ccccc2C2(CC2)C1)Nc1ccccc1Br ZINC000186241923 822864084 /nfs/dbraw/zinc/86/40/84/822864084.db2.gz YRLGFEFYIPZPNZ-UHFFFAOYSA-N 1 0 385.305 4.325 20 0 GIADRO Cc1ccc(NC(=O)[C@]2(C)CCCc3ccccc32)cc1NC(=O)CC[NH+](C)C ZINC000186244403 822864174 /nfs/dbraw/zinc/86/41/74/822864174.db2.gz QBVXTTBZAJHVHO-XMMPIXPASA-N 1 0 393.531 4.118 20 0 GIADRO CC1(C)OCc2cc(C[N@@H+]3CCC[C@@H](c4nnc5n4CCCCC5)C3)ccc2O1 ZINC000186251638 822865090 /nfs/dbraw/zinc/86/50/90/822865090.db2.gz SHCBDGCSGAEDLE-GOSISDBHSA-N 1 0 396.535 4.029 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(-c2ccccc2)c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000054176122 822866188 /nfs/dbraw/zinc/86/61/88/822866188.db2.gz KQBCYAUKXOTKFL-SFHVURJKSA-N 1 0 394.540 4.455 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H](C)c1ccc(Cl)s1 ZINC000175005423 822866176 /nfs/dbraw/zinc/86/61/76/822866176.db2.gz NUMXWHLJFMNOLS-AWEZNQCLSA-N 1 0 377.941 4.204 20 0 GIADRO CC1(C)[C@H](c2ccccc2)CCN1C(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000568973479 822866845 /nfs/dbraw/zinc/86/68/45/822866845.db2.gz IKCCDNHITWIVHB-VXKWHMMOSA-N 1 0 377.532 4.088 20 0 GIADRO Cc1ccc(NC(=O)C[C@H](C)c2ccccc2F)cc1NC(=O)CC[NH+](C)C ZINC000186266533 822867142 /nfs/dbraw/zinc/86/71/42/822867142.db2.gz IAANPJKXGUBZMZ-INIZCTEOSA-N 1 0 385.483 4.157 20 0 GIADRO CC[C@H](C(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1)c1ccc(OC)cc1 ZINC000186269204 822867530 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ZINC000186283376 822870102 /nfs/dbraw/zinc/87/01/02/822870102.db2.gz LUUOSGHOQAGGRT-QUCCMNQESA-N 1 0 397.494 4.353 20 0 GIADRO CC(C)c1nc([C@@H](C)[NH2+]C[C@H](c2cccc(F)c2)N2CCOCC2)cs1 ZINC000186283427 822870130 /nfs/dbraw/zinc/87/01/30/822870130.db2.gz ONYUQEIGEKXJCP-DNVCBOLYSA-N 1 0 377.529 4.130 20 0 GIADRO c1c(C[NH2+]CCC[C@H]2CCCCO2)c(-c2cccnc2)nn1-c1ccccc1 ZINC000186283000 822870173 /nfs/dbraw/zinc/87/01/73/822870173.db2.gz LUSUCOUEVMVQMM-JOCHJYFZSA-N 1 0 376.504 4.373 20 0 GIADRO Brc1cccc(-c2c[nH]c(C[NH2+]CCC[C@@H]3CCCCO3)n2)c1 ZINC000186283525 822870392 /nfs/dbraw/zinc/87/03/92/822870392.db2.gz QVJHGXCRKUOZMC-INIZCTEOSA-N 1 0 378.314 4.278 20 0 GIADRO C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000457369735 822870884 /nfs/dbraw/zinc/87/08/84/822870884.db2.gz DGCAXRPRKDABLV-BPQIPLTHSA-N 1 0 383.458 4.196 20 0 GIADRO C[C@H]1CCN(C(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)[C@@H](C)[C@H]1[NH3+] ZINC000457371189 822870894 /nfs/dbraw/zinc/87/08/94/822870894.db2.gz QZRUSMVNQJPILB-GXZWQRSESA-N 1 0 393.462 4.346 20 0 GIADRO [NH3+][C@H]1CN(C(=O)CCc2cccc(C(F)(F)F)c2)CC[C@H]1c1ccc(F)cc1 ZINC000457373293 822871175 /nfs/dbraw/zinc/87/11/75/822871175.db2.gz JUKXCSPXIQYIOM-OALUTQOASA-N 1 0 394.412 4.121 20 0 GIADRO Cc1cccc(OCCCCC(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)c1 ZINC000457374518 822871350 /nfs/dbraw/zinc/87/13/50/822871350.db2.gz WTKRBBYMDMHULX-YADHBBJMSA-N 1 0 384.495 4.027 20 0 GIADRO [NH3+][C@H]1CN(C(=O)c2cc(Cl)ccc2OC(F)F)CC[C@H]1c1ccc(F)cc1 ZINC000457380937 822871694 /nfs/dbraw/zinc/87/16/94/822871694.db2.gz OXUVXOWBKSAPKB-HOCLYGCPSA-N 1 0 398.812 4.038 20 0 GIADRO [NH3+][C@H]1CN(C(=O)CC2CCC(C(F)(F)F)CC2)CC[C@H]1c1ccc(F)cc1 ZINC000457383649 822871850 /nfs/dbraw/zinc/87/18/50/822871850.db2.gz QYZIUHFGSFPQBA-MZQWUDBDSA-N 1 0 386.433 4.228 20 0 GIADRO [NH3+][C@@H]1CN(C(=O)CCc2ccc(-c3ccccc3)[nH]2)CC[C@@H]1c1ccc(F)cc1 ZINC000457386896 822871990 /nfs/dbraw/zinc/87/19/90/822871990.db2.gz UHDOZERGBDALIR-FGZHOGPDSA-N 1 0 391.490 4.097 20 0 GIADRO CC(C)S(=O)(=O)c1ccc(C[NH2+][C@H](C)c2cccc(N3CCCC3)c2)cc1 ZINC000569040537 822872379 /nfs/dbraw/zinc/87/23/79/822872379.db2.gz GOCAFJSJLQXXOB-GOSISDBHSA-N 1 0 386.561 4.320 20 0 GIADRO CC(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1 ZINC000569041306 822872529 /nfs/dbraw/zinc/87/25/29/822872529.db2.gz RFMZAYPNEJHYLN-UXHICEINSA-N 1 0 383.536 4.360 20 0 GIADRO CCN(C(=O)c1csc(-c2ccoc2)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186299730 822872916 /nfs/dbraw/zinc/87/29/16/822872916.db2.gz XXKIHCQWFFEYJI-SFHVURJKSA-N 1 0 381.501 4.140 20 0 GIADRO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)Cc1cc2ccccc2o1 ZINC000186298915 822872954 /nfs/dbraw/zinc/87/29/54/822872954.db2.gz JNEUETLXCJBNOT-INIZCTEOSA-N 1 0 384.501 4.166 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1cc(Br)co1 ZINC000457399036 822872951 /nfs/dbraw/zinc/87/29/51/822872951.db2.gz XRDRJYUHOPWRLQ-UHFFFAOYSA-N 1 0 397.700 4.090 20 0 GIADRO CCN(C(=O)c1cnc2ccc(F)cc2c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186314524 822875041 /nfs/dbraw/zinc/87/50/41/822875041.db2.gz OMKFDZMAWICLLH-NRFANRHFSA-N 1 0 377.463 4.111 20 0 GIADRO C[C@@H](CC(C)(C)c1ccccc1)[NH2+][C@H]1CCCc2c1cnn2-c1ncccn1 ZINC000569061566 822875475 /nfs/dbraw/zinc/87/54/75/822875475.db2.gz NNIJZUPPELIBAX-PXNSSMCTSA-N 1 0 375.520 4.386 20 0 GIADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)NC[C@H]1CSc2ccccc21 ZINC000457448020 822875710 /nfs/dbraw/zinc/87/57/10/822875710.db2.gz FLSZDIFMMSDVTL-DOTOQJQBSA-N 1 0 387.574 4.074 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1)[C@@H](c1ccccc1)N(C)C ZINC000186324943 822876400 /nfs/dbraw/zinc/87/64/00/822876400.db2.gz BTSKJNGRKVTXQO-JKSBSHDWSA-N 1 0 380.536 4.313 20 0 GIADRO CCN(C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)[C@@H](C)c1cccnc1 ZINC000186328974 822876840 /nfs/dbraw/zinc/87/68/40/822876840.db2.gz NUBAEJDNEMFUSW-AVRDEDQJSA-N 1 0 380.536 4.085 20 0 GIADRO Cc1cccc([C@@H]2CCCCN2C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)c1C ZINC000175076677 822878251 /nfs/dbraw/zinc/87/82/51/822878251.db2.gz ZJNXJEIPWNUONZ-REWPJTCUSA-N 1 0 399.579 4.041 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+]C2CCC(O)(c3cccnc3)CC2)cc1OCC ZINC000186344383 822878933 /nfs/dbraw/zinc/87/89/33/822878933.db2.gz DXRZLTDNEWDENJ-JVPSVYLMSA-N 1 0 384.520 4.360 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)N[C@H](C)c3ccc(C)s3)c(C)c2)CC1 ZINC000054382659 822879826 /nfs/dbraw/zinc/87/98/26/822879826.db2.gz SCOOTQQIPJPKTL-QGZVFWFLSA-N 1 0 386.565 4.390 20 0 GIADRO Cc1sc(CNC(=O)N2CCC(CC[NH3+])CC2)nc1-c1ccc(Cl)cc1 ZINC000569108877 822880368 /nfs/dbraw/zinc/88/03/68/822880368.db2.gz QHOXNJBFMKPSNB-UHFFFAOYSA-N 1 0 392.956 4.042 20 0 GIADRO Cc1nc(-c2ccccc2)oc1C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000175090507 822880414 /nfs/dbraw/zinc/88/04/14/822880414.db2.gz CMWVOSBPRYPRFS-UHFFFAOYSA-N 1 0 388.471 4.419 20 0 GIADRO CC1(C)OCc2cc(CNc3ccccc3C[NH+]3CCSCC3)ccc2O1 ZINC000186355219 822880860 /nfs/dbraw/zinc/88/08/60/822880860.db2.gz KXUGZINTTMTPQB-UHFFFAOYSA-N 1 0 384.545 4.493 20 0 GIADRO CN(C(=O)c1ccc2c(c1O)CCCC2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000186355024 822880887 /nfs/dbraw/zinc/88/08/87/822880887.db2.gz ATQDEKNISIFKGB-UHFFFAOYSA-N 1 0 378.516 4.008 20 0 GIADRO [NH3+]CCC1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3)c(F)c2)CC1 ZINC000569113264 822880952 /nfs/dbraw/zinc/88/09/52/822880952.db2.gz DLELNUSWDWNDCM-UHFFFAOYSA-N 1 0 376.859 4.472 20 0 GIADRO Cc1cc(NC(=O)CC[N@@H+](C)Cc2cc(C)c(OCC(F)(F)F)c(C)c2)no1 ZINC000054394311 822881919 /nfs/dbraw/zinc/88/19/19/822881919.db2.gz QJJMTTNURKISCU-UHFFFAOYSA-N 1 0 399.413 4.002 20 0 GIADRO CC(C)(C)[C@H]([NH2+]CC(=O)Nc1ccccc1N1CCCC1=O)c1ccccc1 ZINC000054397263 822882098 /nfs/dbraw/zinc/88/20/98/822882098.db2.gz VFHAPGFGJULBFJ-JOCHJYFZSA-N 1 0 379.504 4.129 20 0 GIADRO CC(=O)Nc1ccc(C)c(NC(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)c1 ZINC000175099788 822882155 /nfs/dbraw/zinc/88/21/55/822882155.db2.gz CYWIJQGPZAJDEN-SFHVURJKSA-N 1 0 394.519 4.082 20 0 GIADRO C[C@H]1C[C@@H](C(F)(F)F)CCN1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000457499952 822882338 /nfs/dbraw/zinc/88/23/38/822882338.db2.gz BSWBZCNDLZDBSV-YJBOKZPZSA-N 1 0 383.458 4.155 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cc(N(C)C)nc3ccccc32)C1 ZINC000186364819 822882386 /nfs/dbraw/zinc/88/23/86/822882386.db2.gz OIDSNYFKRLRPSK-MOPGFXCFSA-N 1 0 394.563 4.027 20 0 GIADRO CC(C)C(=O)Nc1cccc(NC(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000054406252 822882543 /nfs/dbraw/zinc/88/25/43/822882543.db2.gz VVJACPQHMBBGJQ-IRXDYDNUSA-N 1 0 388.556 4.159 20 0 GIADRO CC[NH+](CC)CC1CCN(C(=O)c2ccc(Oc3ccccc3C)cn2)CC1 ZINC000457504442 822882923 /nfs/dbraw/zinc/88/29/23/822882923.db2.gz GMHNEFGZYOOZHL-UHFFFAOYSA-N 1 0 381.520 4.376 20 0 GIADRO C[NH+](C)C1(CNC(=O)c2cc(Cl)ccc2SC2CCCC2)CCOCC1 ZINC000186374207 822883839 /nfs/dbraw/zinc/88/38/39/822883839.db2.gz WSWHBQUIYZHCQX-UHFFFAOYSA-N 1 0 396.984 4.215 20 0 GIADRO CC(C)C[C@H]1OCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000186375151 822884103 /nfs/dbraw/zinc/88/41/03/822884103.db2.gz KIUZHIFZCNSKTR-JKSUJKDBSA-N 1 0 392.849 4.481 20 0 GIADRO C[C@H](Cc1cccc(F)c1)N(C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000457515302 822884289 /nfs/dbraw/zinc/88/42/89/822884289.db2.gz QHUHONUBMOHVEP-GOSISDBHSA-N 1 0 383.511 4.194 20 0 GIADRO CC(C)C[NH+]1CCN(CCC(=O)Nc2ccccc2Oc2ccccc2)CC1 ZINC000054428040 822884513 /nfs/dbraw/zinc/88/45/13/822884513.db2.gz LQCIBFDGBMLCER-UHFFFAOYSA-N 1 0 381.520 4.081 20 0 GIADRO CCc1noc(C2CCC([NH2+]C[C@H](OC(C)C)c3ccccc3OC)CC2)n1 ZINC000186379241 822884979 /nfs/dbraw/zinc/88/49/79/822884979.db2.gz CBERPKYCPWTJGY-UHYCVJNDSA-N 1 0 387.524 4.423 20 0 GIADRO CCC(CC)(C(=O)NCc1ccc(C[NH+](C)C)cc1)c1ccc(OC)c(OC)c1 ZINC000186381046 822885214 /nfs/dbraw/zinc/88/52/14/822885214.db2.gz QRPQJOPBQMEFOY-UHFFFAOYSA-N 1 0 398.547 4.140 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)Nc2ccc3oc(COC)nc3c2)cc1)C(C)C ZINC000175117262 822885294 /nfs/dbraw/zinc/88/52/94/822885294.db2.gz FOHOQOSSHWVFLN-UHFFFAOYSA-N 1 0 381.476 4.457 20 0 GIADRO CC(=O)NCC[C@@H]1CCC[N@H+](Cc2cn(-c3ccc(C)cc3)nc2C(C)(C)C)C1 ZINC000569155514 822885460 /nfs/dbraw/zinc/88/54/60/822885460.db2.gz GTZBXSXOOOXXMA-FQEVSTJZSA-N 1 0 396.579 4.216 20 0 GIADRO COc1ccccc1[C@@H](C[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1)OC(C)C ZINC000186384098 822885698 /nfs/dbraw/zinc/88/56/98/822885698.db2.gz IUOVNDWNQXPDLS-HTAPYJJXSA-N 1 0 398.503 4.469 20 0 GIADRO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1oc2ccc(CCC(C)=O)cc2c1C ZINC000569158644 822886015 /nfs/dbraw/zinc/88/60/15/822886015.db2.gz OLDKOEMPJIQKEA-LJQANCHMSA-N 1 0 384.520 4.209 20 0 GIADRO Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000054456442 822887393 /nfs/dbraw/zinc/88/73/93/822887393.db2.gz TZTFIDZZHMQDGW-UHFFFAOYSA-N 1 0 379.570 4.035 20 0 GIADRO CC1CCN(c2ccc(NC(=O)NC3CC[NH+](C4CCCC4)CC3)cc2)CC1 ZINC000175132414 822888900 /nfs/dbraw/zinc/88/89/00/822888900.db2.gz DSYBXVPFDGQHMR-UHFFFAOYSA-N 1 0 384.568 4.451 20 0 GIADRO CCOC(=O)N1CCC([C@H](C)[NH2+]Cc2nc3cc(C(F)(F)F)ccc3o2)CC1 ZINC000186421397 822891815 /nfs/dbraw/zinc/89/18/15/822891815.db2.gz BVWGJOMYESYZGB-LBPRGKRZSA-N 1 0 399.413 4.193 20 0 GIADRO Cc1ccc([C@@H](OC[C@H](O)C[NH2+]CCC2CC(F)(F)C2)c2ccccc2)cc1 ZINC000569214303 822893750 /nfs/dbraw/zinc/89/37/50/822893750.db2.gz PTBYBZITHJJKAP-YADHBBJMSA-N 1 0 389.486 4.487 20 0 GIADRO C[C@@H](CC(F)(F)F)C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000457576573 822893776 /nfs/dbraw/zinc/89/37/76/822893776.db2.gz LUGUFQRJYBSHHH-AWEZNQCLSA-N 1 0 385.430 4.028 20 0 GIADRO Cc1ccccc1Oc1ccc(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)nc1 ZINC000457588507 822894991 /nfs/dbraw/zinc/89/49/91/822894991.db2.gz CCQGTGPFOWOJDB-IBGZPJMESA-N 1 0 379.504 4.130 20 0 GIADRO COCCC1(CNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CCCCC1 ZINC000186437228 822895262 /nfs/dbraw/zinc/89/52/62/822895262.db2.gz VEQLBDBHOYICCB-UHFFFAOYSA-N 1 0 386.580 4.392 20 0 GIADRO CN(Cc1ccn(-c2ccccc2)n1)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000054588503 822897577 /nfs/dbraw/zinc/89/75/77/822897577.db2.gz TYLKJXZSLWNKKZ-UHFFFAOYSA-N 1 0 388.515 4.130 20 0 GIADRO CCOC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2sc(-c3ccc(F)cc3)nc2C)C1 ZINC000186454347 822898384 /nfs/dbraw/zinc/89/83/84/822898384.db2.gz XUJOZTGYNQNGFP-BLLLJJGKSA-N 1 0 377.485 4.139 20 0 GIADRO CCC(=O)Nc1ccc(Cl)c(NC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000175180005 822898692 /nfs/dbraw/zinc/89/86/92/822898692.db2.gz VFYDKHVKHSWYIM-HNNXBMFYSA-N 1 0 380.920 4.027 20 0 GIADRO Cn1cccc1[C@H]1CCCCN1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000175182645 822899560 /nfs/dbraw/zinc/89/95/60/822899560.db2.gz CZBQDZBVRCVNSK-MOPGFXCFSA-N 1 0 386.565 4.160 20 0 GIADRO Cc1cncc([C@@H](C)[NH2+]C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c1 ZINC000186469124 822900292 /nfs/dbraw/zinc/90/02/92/822900292.db2.gz OPQPQACWOCAIQA-OAHLLOKOSA-N 1 0 391.437 4.364 20 0 GIADRO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@H](C)CCCc1cccnc1 ZINC000457645048 822900439 /nfs/dbraw/zinc/90/04/39/822900439.db2.gz ILEYDGFZDNOIIT-LJQANCHMSA-N 1 0 382.552 4.132 20 0 GIADRO Cc1ccc(SC[C@H](C)[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)cc1 ZINC000186473653 822901163 /nfs/dbraw/zinc/90/11/63/822901163.db2.gz OVAVFZIEYORXGA-GJZGRUSLSA-N 1 0 381.538 4.369 20 0 GIADRO CCCC(=O)Nc1cccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)c1 ZINC000569282087 822901153 /nfs/dbraw/zinc/90/11/53/822901153.db2.gz VHZZAGMWHZNNTD-UTKZUKDTSA-N 1 0 394.519 4.210 20 0 GIADRO O=C(NCCc1c(Cl)cccc1Cl)N1CCC([NH+]2CCCCC2)CC1 ZINC000054651265 822901662 /nfs/dbraw/zinc/90/16/62/822901662.db2.gz KESKTWIFYNXFRP-UHFFFAOYSA-N 1 0 384.351 4.196 20 0 GIADRO C[C@@H](NC(=O)CC(C)(C)C)c1nc(-c2ccccc2C[NH+]2CCCCC2)no1 ZINC000569289147 822902113 /nfs/dbraw/zinc/90/21/13/822902113.db2.gz LJNABIIGAHMBKG-MRXNPFEDSA-N 1 0 384.524 4.336 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)NC2(c3cccc(Cl)c3)CC2)CC1 ZINC000569294868 822903169 /nfs/dbraw/zinc/90/31/69/822903169.db2.gz NDEZUDTZJXVVDJ-UHFFFAOYSA-N 1 0 398.938 4.293 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CCc2nn(C)c3ccccc23)cc1Br ZINC000186487027 822903479 /nfs/dbraw/zinc/90/34/79/822903479.db2.gz OTXLFYGRSAIVCT-CYBMUJFWSA-N 1 0 388.309 4.238 20 0 GIADRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1c[nH]cc1-c1ccc(Cl)s1 ZINC000054675598 822904791 /nfs/dbraw/zinc/90/47/91/822904791.db2.gz MEYBABXKBIHOTF-OAHLLOKOSA-N 1 0 385.920 4.401 20 0 GIADRO Cc1noc([C@@H]2CCC[N@H+](Cc3ccc(C(=O)Nc4ccccc4)cc3)C2)n1 ZINC000054676392 822904978 /nfs/dbraw/zinc/90/49/78/822904978.db2.gz JBDZLTOYJLILTB-LJQANCHMSA-N 1 0 376.460 4.010 20 0 GIADRO CCc1cccc(Cc2cnc(NC(=O)NC[C@H]3CC[N@@H+](C(C)C)C3)s2)c1 ZINC000569310123 822905353 /nfs/dbraw/zinc/90/53/53/822905353.db2.gz GJJLNPGUELXEAZ-GOSISDBHSA-N 1 0 386.565 4.148 20 0 GIADRO CCC[C@@H](CCc1ccccc1)NC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000175213299 822905942 /nfs/dbraw/zinc/90/59/42/822905942.db2.gz HRYUDTPDRBFLPE-QFIPXVFZSA-N 1 0 394.563 4.147 20 0 GIADRO C[NH+](C)CCCC1CCN(C(=O)c2ccc(Oc3cccc(F)c3)cn2)CC1 ZINC000457684197 822906305 /nfs/dbraw/zinc/90/63/05/822906305.db2.gz IAGLQEQUTFHFEE-UHFFFAOYSA-N 1 0 385.483 4.207 20 0 GIADRO CCc1cnc(CNC(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)s1 ZINC000175216957 822906886 /nfs/dbraw/zinc/90/68/86/822906886.db2.gz SEEIATTZUBTNJE-UHFFFAOYSA-N 1 0 383.521 4.395 20 0 GIADRO CC1(C)Cc2ccc(Cl)c(NC(=O)NC3CC[NH+](C4CCC4)CC3)c2O1 ZINC000569320001 822906940 /nfs/dbraw/zinc/90/69/40/822906940.db2.gz CNMVAZPBUFPPCA-UHFFFAOYSA-N 1 0 377.916 4.192 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CC=C(c3ccc(O)cc3)CC2)C1 ZINC000054716988 822907309 /nfs/dbraw/zinc/90/73/09/822907309.db2.gz HECPNYXAOBRNDT-GCJKJVERSA-N 1 0 391.515 4.026 20 0 GIADRO CC(C)Oc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(Cl)c1 ZINC000457691670 822907541 /nfs/dbraw/zinc/90/75/41/822907541.db2.gz ZDFHBBRJMOERSE-MGPUTAFESA-N 1 0 376.928 4.216 20 0 GIADRO C[C@H]([NH2+]Cc1cn(C)nc1-c1ccccc1)c1ccc(Br)cc1O ZINC000186521512 822908082 /nfs/dbraw/zinc/90/80/82/822908082.db2.gz LQGPEMPIWBBZNB-ZDUSSCGKSA-N 1 0 386.293 4.406 20 0 GIADRO CCOc1cc(NC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1OC ZINC000175225641 822908991 /nfs/dbraw/zinc/90/89/91/822908991.db2.gz ASBZTZQOIHQZIP-LJQANCHMSA-N 1 0 397.519 4.080 20 0 GIADRO Cc1ccc2nc(C[NH2+]C[C@H]3CCN(c4cccc(Br)c4)C3)cn2c1 ZINC000569349133 822910199 /nfs/dbraw/zinc/91/01/99/822910199.db2.gz BXHQFONIGVCOLS-MRXNPFEDSA-N 1 0 399.336 4.021 20 0 GIADRO C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)Nc1cccc(COCc3ccco3)c1)C2 ZINC000175242692 822912285 /nfs/dbraw/zinc/91/22/85/822912285.db2.gz VFISYPRWEPYMKE-IHWFROFDSA-N 1 0 383.492 4.133 20 0 GIADRO Cc1ccc([C@H]([NH2+]C2CC(OC(C)C)C2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000186556362 822912728 /nfs/dbraw/zinc/91/27/28/822912728.db2.gz KLLQVSHLNXPLNV-AOMIVXANSA-N 1 0 387.545 4.034 20 0 GIADRO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)N1C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000457740802 822913253 /nfs/dbraw/zinc/91/32/53/822913253.db2.gz OVMMBXAQOALWCS-MWDXBVQZSA-N 1 0 377.495 4.259 20 0 GIADRO CC[C@H](C)[NH2+][C@H](CNC(=O)c1ccc(Br)cc1C)c1ccco1 ZINC000569378903 822913235 /nfs/dbraw/zinc/91/32/35/822913235.db2.gz GPUUIUFUHYYPOS-XJKSGUPXSA-N 1 0 379.298 4.210 20 0 GIADRO CN(Cc1cc2ccccc2o1)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000175248946 822913662 /nfs/dbraw/zinc/91/36/62/822913662.db2.gz HQYAMLQWUKTKTD-UHFFFAOYSA-N 1 0 391.515 4.281 20 0 GIADRO FC(F)(F)C1CCC(C[NH2+]C[C@H](c2cccs2)N2CCOCC2)CC1 ZINC000186577597 822916509 /nfs/dbraw/zinc/91/65/09/822916509.db2.gz WFXXHACVCPMHLY-UYSNPLJNSA-N 1 0 376.488 4.080 20 0 GIADRO COc1cc([C@H](C)[NH2+]C2(Cc3ccccc3)CC2)ccc1S(=O)(=O)C(F)F ZINC000186579381 822916694 /nfs/dbraw/zinc/91/66/94/822916694.db2.gz PSAWDCUSJYBMGW-AWEZNQCLSA-N 1 0 395.471 4.117 20 0 GIADRO CSCC[C@H]([NH2+]CC1CCC(C(F)(F)F)CC1)c1nnc2ccccn21 ZINC000186581427 822917069 /nfs/dbraw/zinc/91/70/69/822917069.db2.gz RHUXQJBYWCKDHR-NRXISQOPSA-N 1 0 386.487 4.482 20 0 GIADRO COc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H](C)c1cccc(Br)c1 ZINC000569403981 822917559 /nfs/dbraw/zinc/91/75/59/822917559.db2.gz OULPEYUFYUPABK-ZDUSSCGKSA-N 1 0 391.309 4.262 20 0 GIADRO CCC(CC)N(C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C1CC1 ZINC000569407359 822918085 /nfs/dbraw/zinc/91/80/85/822918085.db2.gz KNWLLXCAPXAUDD-UHFFFAOYSA-N 1 0 375.479 4.154 20 0 GIADRO COc1ccc([C@@H]([NH2+]CCOCC(F)(F)F)C(C)C)c(Br)c1 ZINC000569413809 822919220 /nfs/dbraw/zinc/91/92/20/822919220.db2.gz XREDKSGVNGPCSH-AWEZNQCLSA-N 1 0 384.236 4.323 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1c(F)cc(F)cc1F ZINC000175268715 822920177 /nfs/dbraw/zinc/92/01/77/822920177.db2.gz RMNGEUHXHMRALW-INIZCTEOSA-N 1 0 376.422 4.088 20 0 GIADRO CCOc1cc(C[NH2+]Cc2cncc(Br)c2)ccc1OC(F)F ZINC000186594510 822920233 /nfs/dbraw/zinc/92/02/33/822920233.db2.gz AEFBIYSTJYZXTN-UHFFFAOYSA-N 1 0 387.224 4.134 20 0 GIADRO C[C@H]1CN(C(=O)c2ccc(Oc3cccc(Cl)c3)cn2)CC[N@@H+](C2CC2)C1 ZINC000457803442 822920885 /nfs/dbraw/zinc/92/08/85/822920885.db2.gz AYHZOYXSDIGMOR-OAHLLOKOSA-N 1 0 385.895 4.084 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)N[C@@H](C)c2ccc(Br)cc2)C[C@@H]1C ZINC000569423933 822921369 /nfs/dbraw/zinc/92/13/69/822921369.db2.gz RWXZENSHIVNRNY-GRDNDAEWSA-N 1 0 382.346 4.024 20 0 GIADRO CC[C@@H](C)C(=O)Nc1cccc(C[NH2+]Cc2cncc(Br)c2)c1 ZINC000186600589 822921422 /nfs/dbraw/zinc/92/14/22/822921422.db2.gz BGGBGYVUTOUMJC-CYBMUJFWSA-N 1 0 376.298 4.119 20 0 GIADRO CC(C)CCCCC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000457816088 822922210 /nfs/dbraw/zinc/92/22/10/822922210.db2.gz IUSITALJWFBGKA-QFIPXVFZSA-N 1 0 386.580 4.248 20 0 GIADRO O=C(c1ccc(Cl)cc1Cl)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000186603859 822922262 /nfs/dbraw/zinc/92/22/62/822922262.db2.gz FPJQUNMZPHVVQN-MRXNPFEDSA-N 1 0 378.303 4.173 20 0 GIADRO O=c1ccccn1Cc1ccc(C[NH2+]CC2CCC(C(F)(F)F)CC2)cc1 ZINC000186604375 822922311 /nfs/dbraw/zinc/92/23/11/822922311.db2.gz CTMZNNDNKURIPX-UHFFFAOYSA-N 1 0 378.438 4.355 20 0 GIADRO Cc1cc(OCc2ccccc2)c(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)s1 ZINC000457828878 822923483 /nfs/dbraw/zinc/92/34/83/822923483.db2.gz SFGNIBIRCYESPH-QFIPXVFZSA-N 1 0 384.545 4.193 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(-c2ccccc2)n[nH]1 ZINC000175288502 822925401 /nfs/dbraw/zinc/92/54/01/822925401.db2.gz LWZBXYJWDCLRGN-HXUWFJFHSA-N 1 0 388.515 4.061 20 0 GIADRO [NH3+]CC[C@@H](NC(=O)CS[C@@H](c1ccccc1)c1ccc(Cl)cc1)C(F)F ZINC000569455767 822925571 /nfs/dbraw/zinc/92/55/71/822925571.db2.gz RGGLSHUBBYCIKU-AEFFLSMTSA-N 1 0 398.906 4.261 20 0 GIADRO Clc1ccc(-c2noc(CC[N@@H+]3CC[C@]4(C3)OCc3ccccc34)n2)cc1 ZINC000186635137 822927245 /nfs/dbraw/zinc/92/72/45/822927245.db2.gz QIOWQCNEVLNAMR-OAQYLSRUSA-N 1 0 381.863 4.064 20 0 GIADRO CCn1c(Cc2ccsc2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000569476781 822927718 /nfs/dbraw/zinc/92/77/18/822927718.db2.gz RHNGDUFDAPTTTF-HKUYNNGSSA-N 1 0 387.597 4.041 20 0 GIADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)/C=C/Sc1ccccc1 ZINC000175298045 822928112 /nfs/dbraw/zinc/92/81/12/822928112.db2.gz JXQKXRREGMJVBE-LFIBNONCSA-N 1 0 397.544 4.082 20 0 GIADRO CC(C)C[C@H]([NH3+])c1noc(-c2cc(I)ccc2Cl)n1 ZINC000569483864 822928226 /nfs/dbraw/zinc/92/82/26/822928226.db2.gz XTHGJCBEVYRRDH-NSHDSACASA-N 1 0 391.640 4.041 20 0 GIADRO C[C@@H]1CCC[C@H]1CC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C(F)(F)F ZINC000186645216 822928854 /nfs/dbraw/zinc/92/88/54/822928854.db2.gz NQPNITHLJNLPMI-CABCVRRESA-N 1 0 383.458 4.222 20 0 GIADRO CC(=O)Nc1ccc(NC(=S)Nc2ccc(CC[NH+]3CCCCC3)cc2)cc1 ZINC000055005185 822930017 /nfs/dbraw/zinc/93/00/17/822930017.db2.gz DVNGZXZHMFIDTD-UHFFFAOYSA-N 1 0 396.560 4.482 20 0 GIADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cc2c(s1)CCCC2 ZINC000175304524 822930066 /nfs/dbraw/zinc/93/00/66/822930066.db2.gz FCWXBDQDDFQLNQ-UHFFFAOYSA-N 1 0 399.560 4.030 20 0 GIADRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)N1CCC=C(c2ccccc2)C1 ZINC000569512038 822932374 /nfs/dbraw/zinc/93/23/74/822932374.db2.gz MZRSHELAMIKWSA-IBGZPJMESA-N 1 0 395.572 4.459 20 0 GIADRO O=C(Nc1ccccc1)NC1CC[NH+](Cc2cc(F)cc3cccnc32)CC1 ZINC000055032559 822932483 /nfs/dbraw/zinc/93/24/83/822932483.db2.gz WRCOXSMEKGFFSO-UHFFFAOYSA-N 1 0 378.451 4.160 20 0 GIADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2sc3ccccc3c2Br)C1 ZINC000569515139 822932856 /nfs/dbraw/zinc/93/28/56/822932856.db2.gz HCJDKCOLHMPDHZ-ZDUSSCGKSA-N 1 0 395.366 4.372 20 0 GIADRO Fc1ccc(-n2nc(C[N@@H+]3CC[C@]4(C3)OCc3ccccc34)c3c2CCC3)cc1 ZINC000186676114 822934794 /nfs/dbraw/zinc/93/47/94/822934794.db2.gz ANLSPOCADANEMZ-XMMPIXPASA-N 1 0 389.474 4.132 20 0 GIADRO CCOC[C@H]1CCC[C@H]1[NH2+]Cc1cccc(-c2nc(CC(F)(F)F)no2)c1 ZINC000569535086 822936050 /nfs/dbraw/zinc/93/60/50/822936050.db2.gz UJMJEFAURFOHRG-HZPDHXFCSA-N 1 0 383.414 4.136 20 0 GIADRO COc1ccc([C@H](C)NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1F ZINC000175327141 822936090 /nfs/dbraw/zinc/93/60/90/822936090.db2.gz XHNRKVMXEVNARR-ZWOKBUDYSA-N 1 0 399.510 4.248 20 0 GIADRO COc1ccccc1[C@H](CO)[NH2+]Cc1cccc2c(Br)cccc12 ZINC000569535630 822936242 /nfs/dbraw/zinc/93/62/42/822936242.db2.gz CDEVDFFWZDYODE-IBGZPJMESA-N 1 0 386.289 4.434 20 0 GIADRO C[C@@H](NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)c1nc2c(s1)CCC2 ZINC000457936055 822940187 /nfs/dbraw/zinc/94/01/87/822940187.db2.gz UCAPIRVIFOCBQV-MRXNPFEDSA-N 1 0 383.561 4.111 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc2c(c1)CCC2=O ZINC000569561720 822940307 /nfs/dbraw/zinc/94/03/07/822940307.db2.gz BSVVJAWBOPLBKR-LJQANCHMSA-N 1 0 391.515 4.191 20 0 GIADRO CCOc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1ccc(OC)c(NC(C)=O)c1)CCO2 ZINC000186700598 822940379 /nfs/dbraw/zinc/94/03/79/822940379.db2.gz HNIJNFSCLYBCLB-AUUYWEPGSA-N 1 0 384.476 4.227 20 0 GIADRO Cc1nc(CCCC(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)cs1 ZINC000175344002 822940455 /nfs/dbraw/zinc/94/04/55/822940455.db2.gz IIBMPTGLZGGLOB-UHFFFAOYSA-N 1 0 385.577 4.323 20 0 GIADRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2OC(C)C)cc1OC ZINC000055151964 822941261 /nfs/dbraw/zinc/94/12/61/822941261.db2.gz RZDNQTAKXLSSKG-HZPDHXFCSA-N 1 0 386.492 4.169 20 0 GIADRO C[C@@H](Sc1ccccc1Cl)C(=O)Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000569583696 822942058 /nfs/dbraw/zinc/94/20/58/822942058.db2.gz UMLGLKBXOSCSSZ-RHSMWYFYSA-N 1 0 390.936 4.026 20 0 GIADRO C[C@@H](Sc1ccccc1Cl)C(=O)Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000569583695 822942066 /nfs/dbraw/zinc/94/20/66/822942066.db2.gz UMLGLKBXOSCSSZ-PBHICJAKSA-N 1 0 390.936 4.026 20 0 GIADRO CC(C)c1nc([C@H]2CCCCCN2C(=O)c2ccc(CC[NH+](C)C)cc2)no1 ZINC000569621590 822946101 /nfs/dbraw/zinc/94/61/01/822946101.db2.gz PODBAYBKAMEAJL-LJQANCHMSA-N 1 0 384.524 4.055 20 0 GIADRO O=C(NCc1ccc2c[nH+]cn2c1)C1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000457976242 822946727 /nfs/dbraw/zinc/94/67/27/822946727.db2.gz NODRGMJAUAYUMB-UHFFFAOYSA-N 1 0 393.796 4.355 20 0 GIADRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)NC1CCC(C(F)F)CC1 ZINC000457984840 822947683 /nfs/dbraw/zinc/94/76/83/822947683.db2.gz SYSAOKDSPGJKFN-UHFFFAOYSA-N 1 0 379.495 4.022 20 0 GIADRO C[C@@H](CCCc1cccnc1)NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000457988722 822948112 /nfs/dbraw/zinc/94/81/12/822948112.db2.gz XFGGERZVLZMISP-FQEVSTJZSA-N 1 0 394.563 4.004 20 0 GIADRO CCc1nc(CC(=O)NCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)cs1 ZINC000055260457 822948666 /nfs/dbraw/zinc/94/86/66/822948666.db2.gz SDCWCCGHWRHVEQ-IRXDYDNUSA-N 1 0 385.577 4.042 20 0 GIADRO CC[NH+]1CCC(CNC(=O)N(Cc2c(F)cccc2F)C2CCCC2)CC1 ZINC000569639142 822948757 /nfs/dbraw/zinc/94/87/57/822948757.db2.gz ZUTUWFPPBWUGKL-UHFFFAOYSA-N 1 0 379.495 4.151 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]Cc2ccc(Cl)c(C)c2)c1 ZINC000186758586 822950794 /nfs/dbraw/zinc/95/07/94/822950794.db2.gz OUNNECQUZJJBPC-CQSZACIVSA-N 1 0 376.884 4.173 20 0 GIADRO C[N@H+](CCCNC(=O)N1CCC[C@H]1C[C@H](O)c1cccs1)C1CCCCC1 ZINC000175375107 822950900 /nfs/dbraw/zinc/95/09/00/822950900.db2.gz VGVPFRLORZYVRZ-OALUTQOASA-N 1 0 393.597 4.000 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)Nc2cccc(C[S@@](=O)C(C)(C)C)c2)CC1 ZINC000175379786 822952245 /nfs/dbraw/zinc/95/22/45/822952245.db2.gz VRHMRUULXCSSPD-HHHXNRCGSA-N 1 0 393.597 4.072 20 0 GIADRO Cc1cnc([C@H](C)C[NH2+][C@@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)s1 ZINC000186771642 822952692 /nfs/dbraw/zinc/95/26/92/822952692.db2.gz AYDCHUXMSPGNLF-KGLIPLIRSA-N 1 0 379.957 4.235 20 0 GIADRO Cn1cncc1[C@@H]1C[C@@H]([NH2+][C@H](Cc2cccnc2)c2ccc(Cl)cc2)CCO1 ZINC000569666671 822952826 /nfs/dbraw/zinc/95/28/26/822952826.db2.gz QLOIPWLYLDUDJX-VWPQPMDRSA-N 1 0 396.922 4.262 20 0 GIADRO CSc1ccc([C@H](CNC(=O)NCc2cccc3cccnc32)[NH+](C)C)cc1 ZINC000458052920 822953838 /nfs/dbraw/zinc/95/38/38/822953838.db2.gz FLRUZJYWBAAGJZ-FQEVSTJZSA-N 1 0 394.544 4.059 20 0 GIADRO [NH3+][C@H](CNC(=O)N1CCCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1)c1ccccc1 ZINC000569677410 822954035 /nfs/dbraw/zinc/95/40/35/822954035.db2.gz JCKXVUKEPKCGPH-VQIMIIECSA-N 1 0 397.910 4.153 20 0 GIADRO CCN(C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)[C@@H](C)Cc1ccsc1 ZINC000186783599 822954657 /nfs/dbraw/zinc/95/46/57/822954657.db2.gz WZQXGZHWSWBDSJ-FUHWJXTLSA-N 1 0 375.538 4.141 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(N(C)Cc3ccccc3)cc2)CC[N@@H+]1C ZINC000175388007 822955210 /nfs/dbraw/zinc/95/52/10/822955210.db2.gz ILZBPBPDESHIAN-GCJKJVERSA-N 1 0 380.536 4.269 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc2c(c1)OCO2)C(=O)Nc1cc(Cl)ccc1Cl ZINC000055374980 822955924 /nfs/dbraw/zinc/95/59/24/822955924.db2.gz YMDXDMIMLLJHLT-GHMZBOCLSA-N 1 0 381.259 4.400 20 0 GIADRO C[N@@H+]1CC[C@@H](NCc2csc(COc3ccc(F)cc3)n2)[C@H]1c1ccccc1 ZINC000569699325 822956295 /nfs/dbraw/zinc/95/62/95/822956295.db2.gz CUSYQZCOCZELLN-IFMALSPDSA-N 1 0 397.519 4.396 20 0 GIADRO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CCC(=O)Nc1cccc(Cl)c1 ZINC000175390296 822956297 /nfs/dbraw/zinc/95/62/97/822956297.db2.gz AMSAVMJCJXGMAZ-DLUDVSRJSA-N 1 0 378.925 4.099 20 0 GIADRO Cc1oc2ccc(NC(=O)N3CCC(CCC[NH+]4CCOCC4)CC3)cc2c1C ZINC000186794696 822956703 /nfs/dbraw/zinc/95/67/03/822956703.db2.gz KVNVMTPWWRZHQW-UHFFFAOYSA-N 1 0 399.535 4.406 20 0 GIADRO Brc1cc2cccnc2c(C[N@@H+]2CCSC3(CCOCC3)C2)c1 ZINC000186805997 822958609 /nfs/dbraw/zinc/95/86/09/822958609.db2.gz PBNRONDTIUJAQB-UHFFFAOYSA-N 1 0 393.350 4.095 20 0 GIADRO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCSC3(CCOCC3)C2)cc1 ZINC000186807620 822958814 /nfs/dbraw/zinc/95/88/14/822958814.db2.gz CDVXVFDZAMPKJH-NRFANRHFSA-N 1 0 396.556 4.273 20 0 GIADRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)Cc1csc(-c2ccoc2)n1 ZINC000186813113 822959633 /nfs/dbraw/zinc/95/96/33/822959633.db2.gz VAIZNLLRYXVLJO-UHFFFAOYSA-N 1 0 375.538 4.107 20 0 GIADRO Cc1nccn1C[C@@H](C)CNC(=O)N[C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000458126199 822960604 /nfs/dbraw/zinc/96/06/04/822960604.db2.gz BUOFMNBUKMZWNM-KPZWWZAWSA-N 1 0 378.879 4.071 20 0 GIADRO COC[C@@H]([NH2+][C@H](C)CC(=O)Nc1ccc(OC)cc1)c1cccc(Cl)c1 ZINC000569736107 822960866 /nfs/dbraw/zinc/96/08/66/822960866.db2.gz QHNXEWCISQWLPC-AUUYWEPGSA-N 1 0 376.884 4.043 20 0 GIADRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cnc(-c4ccc(Cl)cc4)s3)[C@H]2C1 ZINC000569735435 822960878 /nfs/dbraw/zinc/96/08/78/822960878.db2.gz YEMALKDTLSILFD-SNRMKQJTSA-N 1 0 389.952 4.200 20 0 GIADRO CC(=O)c1cc(NC(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)ccc1C ZINC000569738820 822961467 /nfs/dbraw/zinc/96/14/67/822961467.db2.gz HBOAGGQLMLXZEH-GOSISDBHSA-N 1 0 379.504 4.326 20 0 GIADRO C[C@H]([NH2+][C@H]1C[C@H](c2ccc(Br)cc2)C1)c1ccc(-n2cnnn2)cc1 ZINC000569755091 822964140 /nfs/dbraw/zinc/96/41/40/822964140.db2.gz VQDBGYPEGUFJHA-OWQGQXMQSA-N 1 0 398.308 4.022 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000186844930 822966552 /nfs/dbraw/zinc/96/65/52/822966552.db2.gz MMGIJBUCVNSDNT-UHFFFAOYSA-N 1 0 399.498 4.180 20 0 GIADRO Cc1ccc([C@H](CNC(=O)N2CCCC[C@H]2c2cccn2C)[NH+]2CCCC2)o1 ZINC000175431846 822967016 /nfs/dbraw/zinc/96/70/16/822967016.db2.gz HGWUYVIIDUMEGO-PMACEKPBSA-N 1 0 384.524 4.000 20 0 GIADRO Cc1ccc(-c2cnc(CCC(=O)N(CC[NH+](C)C)Cc3ccsc3)o2)cc1 ZINC000458194520 822967428 /nfs/dbraw/zinc/96/74/28/822967428.db2.gz AULIKLIYJRSDKP-UHFFFAOYSA-N 1 0 397.544 4.235 20 0 GIADRO CS(=O)(=O)CCCCC[NH2+][C@@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000186850402 822967559 /nfs/dbraw/zinc/96/75/59/822967559.db2.gz LOWQABFQDRLNKO-CQSZACIVSA-N 1 0 380.337 4.012 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)F ZINC000458196969 822967723 /nfs/dbraw/zinc/96/77/23/822967723.db2.gz FEQJEFKLUKFUKO-DLBZAZTESA-N 1 0 394.487 4.043 20 0 GIADRO C[N@@H+]1CCC[C@H](CCNC(=O)c2oc3ccccc3c2COc2ccccc2)C1 ZINC000458198663 822967920 /nfs/dbraw/zinc/96/79/20/822967920.db2.gz UCWWEDHILRNTBI-GOSISDBHSA-N 1 0 392.499 4.474 20 0 GIADRO CS(=O)(=O)CCCCC[NH2+][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000186855323 822968542 /nfs/dbraw/zinc/96/85/42/822968542.db2.gz OEJTWHPXVASWTC-MRXNPFEDSA-N 1 0 396.553 4.131 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)Cc1c[nH]c2cc(Cl)ccc12 ZINC000458206365 822968850 /nfs/dbraw/zinc/96/88/50/822968850.db2.gz UMHFTQYDBNWTGZ-UHFFFAOYSA-N 1 0 375.925 4.016 20 0 GIADRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1 ZINC000569788965 822969498 /nfs/dbraw/zinc/96/94/98/822969498.db2.gz GTQCRMKVMIFLME-CABCVRRESA-N 1 0 389.908 4.374 20 0 GIADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)Nc2ccc(F)c(C3CC3)c2)CC1 ZINC000569789294 822969518 /nfs/dbraw/zinc/96/95/18/822969518.db2.gz SOVMXOZSWGCVDE-HNNXBMFYSA-N 1 0 382.483 4.445 20 0 GIADRO C[C@@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)[N@@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000569805103 822971413 /nfs/dbraw/zinc/97/14/13/822971413.db2.gz CULXXQFQMIUXGZ-QWRGUYRKSA-N 1 0 378.263 4.317 20 0 GIADRO CN(C)C(=O)c1ccc(-c2noc(-c3ccc(C[NH+]4CCCCC4)cc3)n2)cc1 ZINC000569828542 822973398 /nfs/dbraw/zinc/97/33/98/822973398.db2.gz OYFVLJBQUUTNHL-UHFFFAOYSA-N 1 0 390.487 4.091 20 0 GIADRO Cc1nn(C)c2ncc(C[NH2+]CCc3ccc(Br)cc3Cl)cc12 ZINC000569830073 822973724 /nfs/dbraw/zinc/97/37/24/822973724.db2.gz RTZLRAPRCMPURY-UHFFFAOYSA-N 1 0 393.716 4.025 20 0 GIADRO CCn1cc([C@H]2OCCC[C@@H]2[NH2+][C@H]2CCc3c2cccc3Br)cn1 ZINC000569830374 822973972 /nfs/dbraw/zinc/97/39/72/822973972.db2.gz BNSBOMFKFNUQML-GBESFXJTSA-N 1 0 390.325 4.163 20 0 GIADRO Cc1ccc(OCc2nc(CN3CCc4ccccc4[C@@H]3C[NH3+])cs2)cc1 ZINC000569846442 822975291 /nfs/dbraw/zinc/97/52/91/822975291.db2.gz TXXBOSXMTBVNNE-NRFANRHFSA-N 1 0 379.529 4.089 20 0 GIADRO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)N1CC(c2ccc(Cl)cc2)C1 ZINC000458264454 822975561 /nfs/dbraw/zinc/97/55/61/822975561.db2.gz MAFOTPRLVPHQNF-IBGZPJMESA-N 1 0 397.950 4.013 20 0 GIADRO Cc1cc(NC(=O)C2(Cc3ccc(F)cc3)CCOCC2)ccc1C[NH+](C)C ZINC000458270601 822976425 /nfs/dbraw/zinc/97/64/25/822976425.db2.gz TZGDQABXUWKOGH-UHFFFAOYSA-N 1 0 384.495 4.174 20 0 GIADRO Cc1ccc(C(C)(C)CNC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000458272126 822976451 /nfs/dbraw/zinc/97/64/51/822976451.db2.gz GLLCESXUDLLDAN-UHFFFAOYSA-N 1 0 399.501 4.331 20 0 GIADRO Cc1ccc([C@@H]2[C@H](C)CCC[N@@H+]2CC(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1 ZINC000569857929 822976915 /nfs/dbraw/zinc/97/69/15/822976915.db2.gz LKBNSMFIQVUSRH-JPYJTQIMSA-N 1 0 393.531 4.109 20 0 GIADRO Cn1c(C[NH2+]C[C@@]2(C)OCCc3sccc32)nc2cc(C(F)(F)F)ccc21 ZINC000569860875 822977509 /nfs/dbraw/zinc/97/75/09/822977509.db2.gz NUWJYEXAXMNRPY-GOSISDBHSA-N 1 0 395.450 4.231 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000055553077 822977583 /nfs/dbraw/zinc/97/75/83/822977583.db2.gz PYSXNXMQLWPEMU-FQEVSTJZSA-N 1 0 388.895 4.003 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)COc1ccc(Cl)cc1 ZINC000055552990 822977585 /nfs/dbraw/zinc/97/75/85/822977585.db2.gz DANIFISLEYDPTB-UHFFFAOYSA-N 1 0 376.884 4.078 20 0 GIADRO CC[C@H](NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1nc(-c2ccccc2)c[nH]1 ZINC000569865059 822978004 /nfs/dbraw/zinc/97/80/04/822978004.db2.gz TXXFWBUPSOCXBS-RTWAWAEBSA-N 1 0 388.515 4.166 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)c2cccc(C(F)(F)F)c2F)cc1F ZINC000458287534 822978587 /nfs/dbraw/zinc/97/85/87/822978587.db2.gz LGIAQNOSJUSERS-UHFFFAOYSA-N 1 0 388.336 4.176 20 0 GIADRO CC[C@H](Oc1ccccc1F)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000175480543 822979170 /nfs/dbraw/zinc/97/91/70/822979170.db2.gz VVRMFKHOFVJPOC-APWZRJJASA-N 1 0 390.524 4.073 20 0 GIADRO CC[C@H]([NH2+]Cc1cc2ccccc2o1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000569877057 822979411 /nfs/dbraw/zinc/97/94/11/822979411.db2.gz RQCXOROSSMHBLX-KRWDZBQOSA-N 1 0 392.908 4.235 20 0 GIADRO Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000186917214 822979931 /nfs/dbraw/zinc/97/99/31/822979931.db2.gz SCVQZCXHYCREDI-UZLBHIALSA-N 1 0 396.922 4.255 20 0 GIADRO CN1C(=O)CCc2cc(C[N@H+](C)CCCc3cc(-c4ccccc4)no3)ccc21 ZINC000186920320 822980352 /nfs/dbraw/zinc/98/03/52/822980352.db2.gz SZUPWAZTVSYPBA-UHFFFAOYSA-N 1 0 389.499 4.315 20 0 GIADRO CC[NH+](CC)[C@@H](c1nc(-c2ccc(-n3cncn3)c(C)c2)no1)c1ccccc1 ZINC000569887069 822980596 /nfs/dbraw/zinc/98/05/96/822980596.db2.gz SBLYGAKNVXVBEB-HXUWFJFHSA-N 1 0 388.475 4.057 20 0 GIADRO CCCCOc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)cc1OCC ZINC000569889186 822980851 /nfs/dbraw/zinc/98/08/51/822980851.db2.gz PIFLDCQBQZNKLC-IAGOWNOFSA-N 1 0 389.458 4.257 20 0 GIADRO CCCCOc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)cc1OCC ZINC000569889184 822980919 /nfs/dbraw/zinc/98/09/19/822980919.db2.gz PIFLDCQBQZNKLC-DLBZAZTESA-N 1 0 389.458 4.257 20 0 GIADRO CCCCOc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)cc1OCC ZINC000569889191 822980942 /nfs/dbraw/zinc/98/09/42/822980942.db2.gz PIFLDCQBQZNKLC-SJORKVTESA-N 1 0 389.458 4.257 20 0 GIADRO O=C(Nc1cccc(Cl)c1F)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000569891826 822981606 /nfs/dbraw/zinc/98/16/06/822981606.db2.gz QUUXPTPAXVPVIB-IAGOWNOFSA-N 1 0 387.886 4.465 20 0 GIADRO CCCOc1ccc([C@@H](C)[NH2+][C@H](C)C2CCS(=O)(=O)CC2)cc1OCCC ZINC000186929828 822982402 /nfs/dbraw/zinc/98/24/02/822982402.db2.gz CZPNFYRDBMQLGH-IAGOWNOFSA-N 1 0 397.581 4.128 20 0 GIADRO CC(C)(C)c1cc(CCC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc(C(C)(C)C)c1O ZINC000186933689 822982957 /nfs/dbraw/zinc/98/29/57/822982957.db2.gz ZVEXPCUJZDAANB-QKLQHJQFSA-N 1 0 386.580 4.116 20 0 GIADRO CCc1ccc2c(C[NH+]3CCC(O)(Cc4cccc(F)c4)CC3)cc(=O)oc2c1 ZINC000186936008 822983478 /nfs/dbraw/zinc/98/34/78/822983478.db2.gz XPRKJEABXLVSTF-UHFFFAOYSA-N 1 0 395.474 4.064 20 0 GIADRO Cc1sc(-c2ccco2)nc1C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000458327371 822983528 /nfs/dbraw/zinc/98/35/28/822983528.db2.gz VWEYDZDFPYSLOM-UHFFFAOYSA-N 1 0 389.452 4.043 20 0 GIADRO CC(C)c1cc(C(=O)Nc2ccc(OCC[NH+](C)C)c(F)c2)nn1C(C)(C)C ZINC000458328360 822983747 /nfs/dbraw/zinc/98/37/47/822983747.db2.gz XAKQFQALJPXDHC-UHFFFAOYSA-N 1 0 390.503 4.093 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)c2cc(Cl)sc2Cl)cc1F ZINC000458329339 822983752 /nfs/dbraw/zinc/98/37/52/822983752.db2.gz XDYXZGJMMFYJEK-UHFFFAOYSA-N 1 0 377.268 4.387 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)cc1 ZINC000055592742 822983743 /nfs/dbraw/zinc/98/37/43/822983743.db2.gz WAIQUSIVCVAMJX-UHFFFAOYSA-N 1 0 393.531 4.453 20 0 GIADRO CC(C)CC[NH+]1CCC(CNC(=O)N[C@H](c2ccccc2)c2ccncc2)CC1 ZINC000175499621 822984283 /nfs/dbraw/zinc/98/42/83/822984283.db2.gz JOXSYWZOLDIALD-HSZRJFAPSA-N 1 0 394.563 4.228 20 0 GIADRO Cc1cc2c(cc1C)[C@H]([NH2+]Cc1ccccc1CN1CCOCC1)CCS2 ZINC000186944800 822984617 /nfs/dbraw/zinc/98/46/17/822984617.db2.gz DCVUAGABTGIXQQ-JOCHJYFZSA-N 1 0 382.573 4.462 20 0 GIADRO Cc1cc(C)cc([C@@H](C)NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000458341042 822985004 /nfs/dbraw/zinc/98/50/04/822985004.db2.gz CRZFLRDJDFXACN-MRXNPFEDSA-N 1 0 385.474 4.423 20 0 GIADRO O=C(N[C@@H](COc1ccccc1)c1ccccc1)NC1CC[NH+](C2CCC2)CC1 ZINC000458344505 822985260 /nfs/dbraw/zinc/98/52/60/822985260.db2.gz PUHBHXSQFQTPAK-QHCPKHFHSA-N 1 0 393.531 4.123 20 0 GIADRO CCc1nocc1CN(C)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000458363504 822987262 /nfs/dbraw/zinc/98/72/62/822987262.db2.gz CZZRAVNUPUQPPQ-KRWDZBQOSA-N 1 0 384.524 4.042 20 0 GIADRO CCn1ccnc1[C@H](C)NC(=O)NCC(CC)(CC)[NH2+][C@@H](C)c1ccccc1 ZINC000458365023 822987560 /nfs/dbraw/zinc/98/75/60/822987560.db2.gz FRSVXNAOZAZRQZ-ROUUACIJSA-N 1 0 385.556 4.173 20 0 GIADRO CN(Cc1ccc(Cl)nc1)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000175515836 822988683 /nfs/dbraw/zinc/98/86/83/822988683.db2.gz MJKVGCNPSVTYTK-CRAIPNDOSA-N 1 0 392.956 4.021 20 0 GIADRO Cc1ccc(C2CC[NH+]([C@@H](C)C(=O)N(Cc3ccccc3)C(C)C)CC2)cn1 ZINC000569959077 822990038 /nfs/dbraw/zinc/99/00/38/822990038.db2.gz RFJXZIWCUZCCDP-FQEVSTJZSA-N 1 0 379.548 4.395 20 0 GIADRO COc1csc(C(=O)N(c2cccc(SC)c2)C2CC[NH+](C)CC2)c1 ZINC000175522510 822990419 /nfs/dbraw/zinc/99/04/19/822990419.db2.gz FVSUHZQCFWJWOH-UHFFFAOYSA-N 1 0 376.547 4.220 20 0 GIADRO Cc1cc(Br)cc([C@H](C)[NH2+]Cc2cnn(-c3ccccc3)c2)c1O ZINC000186976552 822990753 /nfs/dbraw/zinc/99/07/53/822990753.db2.gz CFODHRSKNKTCPM-AWEZNQCLSA-N 1 0 386.293 4.500 20 0 GIADRO Cc1ccncc1CCC[NH2+][C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000569969365 822991173 /nfs/dbraw/zinc/99/11/73/822991173.db2.gz XOEJJFDMVHYIQX-HXUWFJFHSA-N 1 0 377.454 4.206 20 0 GIADRO CCc1nc(C)c([C@@H](C)N(C)C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)s1 ZINC000175529580 822991658 /nfs/dbraw/zinc/99/16/58/822991658.db2.gz XWYQGWJNEAKQGF-DOTOQJQBSA-N 1 0 380.602 4.228 20 0 GIADRO Fc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H]2CCc3nc[nH]c3C2)cc1 ZINC000569973212 822991788 /nfs/dbraw/zinc/99/17/88/822991788.db2.gz AERQWQMOVCCUHA-LJQANCHMSA-N 1 0 387.462 4.049 20 0 GIADRO O=C(CCC(F)(F)F)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000175531693 822991901 /nfs/dbraw/zinc/99/19/01/822991901.db2.gz ZRUSNXHADNLMQS-OAHLLOKOSA-N 1 0 396.375 4.242 20 0 GIADRO CSc1ccccc1CC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000569974673 822992010 /nfs/dbraw/zinc/99/20/10/822992010.db2.gz GROZHTZKYJNPPI-HXUWFJFHSA-N 1 0 382.573 4.370 20 0 GIADRO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)[C@H]1CC[C@H](C)CC1 ZINC000569977185 822992259 /nfs/dbraw/zinc/99/22/59/822992259.db2.gz GGNMKSSVZYXQET-YYWHXJBOSA-N 1 0 380.536 4.403 20 0 GIADRO Cc1ccc(C(=O)N(C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)o1 ZINC000175534568 822992628 /nfs/dbraw/zinc/99/26/28/822992628.db2.gz XGKKVSHFQQTAKF-KRWDZBQOSA-N 1 0 380.410 4.115 20 0 GIADRO Cc1cc2c(cc1C)[C@@H]([NH2+]Cc1cccc(CN3CCOCC3)c1)CCS2 ZINC000187024965 822999855 /nfs/dbraw/zinc/99/98/55/822999855.db2.gz PSBWSLZOJICAJQ-QFIPXVFZSA-N 1 0 382.573 4.462 20 0 GIADRO C[C@H]([NH2+]C[C@H](c1ccc(F)cc1)N(C)C)c1ncc(Br)cc1F ZINC000187031909 823001067 /nfs/dbraw/zinc/00/10/67/823001067.db2.gz INTSOMIJKYPADO-MEDUHNTESA-N 1 0 384.268 4.076 20 0 GIADRO CC(=O)N(c1nc(CN2CC[NH+](C(C)C)CC2)cs1)c1ccc(Cl)cc1 ZINC000175578727 823001442 /nfs/dbraw/zinc/00/14/42/823001442.db2.gz CZOOAEAQTREKOK-UHFFFAOYSA-N 1 0 392.956 4.007 20 0 GIADRO CN(C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1)C1CC(C)(C)C1 ZINC000570053458 823001443 /nfs/dbraw/zinc/00/14/43/823001443.db2.gz CUTNNOFTBSNOAH-UHFFFAOYSA-N 1 0 386.540 4.153 20 0 GIADRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000570062891 823001994 /nfs/dbraw/zinc/00/19/94/823001994.db2.gz QWGNANWRZQZUTH-OAHLLOKOSA-N 1 0 387.858 4.183 20 0 GIADRO Cc1cnc([C@H](NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C2CC2)s1 ZINC000175586769 823002495 /nfs/dbraw/zinc/00/24/95/823002495.db2.gz YIBNJYQPPQIADX-CDHQVMDDSA-N 1 0 398.576 4.255 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+][C@@H](C)c1cccc(-n2ccnn2)c1 ZINC000570069161 823002844 /nfs/dbraw/zinc/00/28/44/823002844.db2.gz RQVHGTARIFBSKI-QWHCGFSZSA-N 1 0 392.429 4.055 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)[C@@H]1CC[C@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1 ZINC000570113465 823006845 /nfs/dbraw/zinc/00/68/45/823006845.db2.gz NRXVTSDMXQUJSI-VHDGCEQUSA-N 1 0 396.375 4.403 20 0 GIADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)[C@H](C)c1ccc(C(=O)C(C)C)cc1)c1ccco1 ZINC000570119030 823007422 /nfs/dbraw/zinc/00/74/22/823007422.db2.gz ASKAXIRVZWUQJB-QKLQHJQFSA-N 1 0 384.520 4.467 20 0 GIADRO Cc1ccncc1CCC[N@@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000570127938 823008308 /nfs/dbraw/zinc/00/83/08/823008308.db2.gz NSYVOURKBRCOFX-LJQANCHMSA-N 1 0 380.467 4.391 20 0 GIADRO C[C@@H]([NH2+]C[C@H](C)N1CCc2ccccc2C1)c1ncc(Br)cc1F ZINC000187086095 823008714 /nfs/dbraw/zinc/00/87/14/823008714.db2.gz KFEHYPDINOBONT-UONOGXRCSA-N 1 0 392.316 4.081 20 0 GIADRO COc1ccccc1[C@H](CC(C)C)NC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000175628050 823009501 /nfs/dbraw/zinc/00/95/01/823009501.db2.gz ZZSYICHLSRRJCM-FQEVSTJZSA-N 1 0 375.557 4.156 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH2+]CC(=O)Nc1c(C)cc(C)cc1C ZINC000187092728 823009761 /nfs/dbraw/zinc/00/97/61/823009761.db2.gz QSVXOBIHNOSDPE-UHFFFAOYSA-N 1 0 389.499 4.411 20 0 GIADRO COCCc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000570145357 823010077 /nfs/dbraw/zinc/01/00/77/823010077.db2.gz JKSJUPLUXIHGET-YOEHRIQHSA-N 1 0 398.330 4.273 20 0 GIADRO COc1ccc([C@H](C)N(C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000175634798 823010407 /nfs/dbraw/zinc/01/04/07/823010407.db2.gz ZCMNAZOGCWAROO-CNNODRBYSA-N 1 0 395.547 4.451 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)N2CCC[C@H](c3nccs3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000175636758 823010637 /nfs/dbraw/zinc/01/06/37/823010637.db2.gz LIETYWFENDUHFA-YZGWKJHDSA-N 1 0 398.576 4.085 20 0 GIADRO c1c(C[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)c(-c2ccccn2)nn1C1CCCC1 ZINC000570162482 823011543 /nfs/dbraw/zinc/01/15/43/823011543.db2.gz MSXZSDGFLBIUNW-AVRDEDQJSA-N 1 0 380.536 4.451 20 0 GIADRO CC[C@@H](c1ccncc1)N(C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000175642319 823011693 /nfs/dbraw/zinc/01/16/93/823011693.db2.gz YHKWOZMPBIYVPJ-QIJUGHKUSA-N 1 0 380.536 4.227 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)N2CCC(OC3CCCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000175645635 823012201 /nfs/dbraw/zinc/01/22/01/823012201.db2.gz BBDHNQVWROHJBZ-TZIWHRDSSA-N 1 0 399.579 4.173 20 0 GIADRO Cc1csc(C(C)(C)NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000175647988 823012738 /nfs/dbraw/zinc/01/27/38/823012738.db2.gz JKHPVIKOSAPYOC-SJLPKXTDSA-N 1 0 386.565 4.039 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH2+]Cc1cccc(Cn2ccnc2)c1 ZINC000187117872 823013244 /nfs/dbraw/zinc/01/32/44/823013244.db2.gz MRDIIQJMTARGRE-UHFFFAOYSA-N 1 0 384.483 4.292 20 0 GIADRO C[NH+](C)CCN(Cc1cccs1)C(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC000175654987 823013559 /nfs/dbraw/zinc/01/35/59/823013559.db2.gz RFQAHAORRGZBLF-UHFFFAOYSA-N 1 0 375.925 4.016 20 0 GIADRO CCOC(=O)[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000570190945 823013590 /nfs/dbraw/zinc/01/35/90/823013590.db2.gz XVWZPDQHIQYBJJ-XXBNENTESA-N 1 0 380.532 4.313 20 0 GIADRO CN1C(=O)CCc2cc(C[NH2+]Cc3cccnc3Oc3cccc(F)c3)ccc21 ZINC000187122122 823013947 /nfs/dbraw/zinc/01/39/47/823013947.db2.gz PZWCSQFDJUZLQA-UHFFFAOYSA-N 1 0 391.446 4.212 20 0 GIADRO CCC[C@@H](NC(=O)[C@@H](C)N1CC[NH+](C2CCC(C)CC2)CC1)c1ccccc1 ZINC000570193508 823014002 /nfs/dbraw/zinc/01/40/02/823014002.db2.gz SEFIMTLGIBVRAZ-VWDUAXENSA-N 1 0 385.596 4.229 20 0 GIADRO C[C@@]1(C2CC2)NC(=O)N(c2cccc(C[NH2+]C3CC4(C3)CCCCC4)c2)C1=O ZINC000570196581 823014254 /nfs/dbraw/zinc/01/42/54/823014254.db2.gz QIAYNDIISVCMEP-QFIPXVFZSA-N 1 0 381.520 4.114 20 0 GIADRO c1ccc(C[N@H+]2CCCC[C@H](CN[C@@H](c3ccccc3)c3cncnc3)C2)cc1 ZINC000570205918 823015259 /nfs/dbraw/zinc/01/52/59/823015259.db2.gz ROYWWNGDMQWYSA-RDGATRHJSA-N 1 0 386.543 4.458 20 0 GIADRO CC1(C)OCc2cc(C[NH2+][C@H](c3ccc4c(c3)OCCO4)C3CC3)ccc2O1 ZINC000187131448 823015397 /nfs/dbraw/zinc/01/53/97/823015397.db2.gz YCWQGEJFBXKGGU-QFIPXVFZSA-N 1 0 381.472 4.344 20 0 GIADRO CCC[C@H]([NH2+][C@@H](C)C1CCS(=O)(=O)CC1)c1cccc(C(F)(F)F)c1 ZINC000187141874 823016814 /nfs/dbraw/zinc/01/68/14/823016814.db2.gz WXSJMWHUTKYQOI-GUYCJALGSA-N 1 0 377.472 4.350 20 0 GIADRO C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000175678537 823018491 /nfs/dbraw/zinc/01/84/91/823018491.db2.gz OIMMQXUSLIHONP-FXAWDEMLSA-N 1 0 391.540 4.451 20 0 GIADRO CCOc1ccc(NC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c(C(F)(F)F)c1 ZINC000175679706 823018823 /nfs/dbraw/zinc/01/88/23/823018823.db2.gz DUJATBSDPCZZCP-AWEZNQCLSA-N 1 0 387.446 4.442 20 0 GIADRO Cc1cc(C(=O)NC2CC[NH+](Cc3ccc4nc(C)ccc4c3)CC2)c(C)o1 ZINC000187159986 823019049 /nfs/dbraw/zinc/01/90/49/823019049.db2.gz KCDXMHKWFPACBB-UHFFFAOYSA-N 1 0 377.488 4.147 20 0 GIADRO CCCc1cccc(C[NH2+]Cc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)c1 ZINC000187162965 823019508 /nfs/dbraw/zinc/01/95/08/823019508.db2.gz WPTXIOKUHFXEPC-OALUTQOASA-N 1 0 380.532 4.178 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)CCc2ncc(C(C)(C)C)o2)CC[N@@H+]1Cc1ccccc1 ZINC000187171364 823020368 /nfs/dbraw/zinc/02/03/68/823020368.db2.gz BIBPJUBNRFJLJD-MJGOQNOKSA-N 1 0 383.536 4.074 20 0 GIADRO O[C@H](Cc1ccc(C(F)(F)F)cc1)C[NH+]1CCC(OC2CCCCC2)CC1 ZINC000570273429 823021697 /nfs/dbraw/zinc/02/16/97/823021697.db2.gz VXNMSAXGRKYJSN-GOSISDBHSA-N 1 0 385.470 4.423 20 0 GIADRO CSc1ccc(NC(=O)C(=O)Nc2cccc3c2C[N@@H+]([C@@H](C)C(C)C)C3)cc1 ZINC000187181908 823021753 /nfs/dbraw/zinc/02/17/53/823021753.db2.gz KWIVTPVUCGGSSP-HNNXBMFYSA-N 1 0 397.544 4.346 20 0 GIADRO CC(C)Oc1ccc(NC(=O)NCc2ccc(C[NH3+])cc2)c(C(F)(F)F)c1 ZINC000570280013 823022083 /nfs/dbraw/zinc/02/20/83/823022083.db2.gz UNNWGQJHFRDVFL-UHFFFAOYSA-N 1 0 381.398 4.273 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+][C@H](C)C1CCS(=O)(=O)CC1 ZINC000187185918 823022269 /nfs/dbraw/zinc/02/22/69/823022269.db2.gz WWZUVCFXKUHEES-CABCVRRESA-N 1 0 392.590 4.291 20 0 GIADRO Cc1oc(-c2cccs2)nc1CC(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000187186140 823022341 /nfs/dbraw/zinc/02/23/41/823022341.db2.gz UNGBTLGYSBMCMQ-JLTOFOAXSA-N 1 0 383.517 4.062 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+][C@@H](C)C1CCS(=O)(=O)CC1 ZINC000187185878 823022366 /nfs/dbraw/zinc/02/23/66/823022366.db2.gz WWZUVCFXKUHEES-GJZGRUSLSA-N 1 0 392.590 4.291 20 0 GIADRO CC(C)[C@]1(CO)CCC[N@H+](Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C1 ZINC000570286910 823022647 /nfs/dbraw/zinc/02/26/47/823022647.db2.gz HZGCHAJCIFPKDJ-LJQANCHMSA-N 1 0 381.442 4.122 20 0 GIADRO COc1cccc(N2CCC[C@@H]([NH2+][C@H](C)c3cncc(Br)c3)C2)c1 ZINC000570291874 823023039 /nfs/dbraw/zinc/02/30/39/823023039.db2.gz GAWYZHIRNFSHIO-RHSMWYFYSA-N 1 0 390.325 4.172 20 0 GIADRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)N(c2ccccc2)c2ccccc2)CC1 ZINC000570293922 823023053 /nfs/dbraw/zinc/02/30/53/823023053.db2.gz PJPBAITVRYDWFG-LJQANCHMSA-N 1 0 379.504 4.130 20 0 GIADRO Cc1cc(C(=O)CCC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)c(C)s1 ZINC000175703808 823023702 /nfs/dbraw/zinc/02/37/02/823023702.db2.gz ZMCIFWAQPREWQE-UHFFFAOYSA-N 1 0 398.572 4.451 20 0 GIADRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](Cc2ccc(Cl)cn2)[C@H]2CCCC[C@@H]12 ZINC000570304608 823024044 /nfs/dbraw/zinc/02/40/44/823024044.db2.gz FCLPZBVCPXZTGR-GYWCDFCBSA-N 1 0 377.960 4.419 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1cccc(OC(F)(F)F)c1)C(=O)N1CCc2sccc2C1 ZINC000175704889 823024101 /nfs/dbraw/zinc/02/41/01/823024101.db2.gz AJLGNWFCGCCUQU-CHWSQXEVSA-N 1 0 398.450 4.271 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2cnc(C(C)(C)C)nc2)[C@H]1c1cccs1 ZINC000175708700 823024750 /nfs/dbraw/zinc/02/47/50/823024750.db2.gz UPAYJLPLTHXYJG-YOEHRIQHSA-N 1 0 387.553 4.040 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1)C(=O)Nc1cccnc1Cl ZINC000175709429 823024979 /nfs/dbraw/zinc/02/49/79/823024979.db2.gz RUQGOGJQCCAYKH-QWRGUYRKSA-N 1 0 387.789 4.311 20 0 GIADRO Cc1nc(-c2ccccc2)sc1CNC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000175723425 823027193 /nfs/dbraw/zinc/02/71/93/823027193.db2.gz NAGFYKDXFNLPCY-UHFFFAOYSA-N 1 0 398.576 4.325 20 0 GIADRO O=C(Nc1ccc(OC(F)F)cc1F)N1CC[NH+](CC2CCCCC2)CC1 ZINC000570346465 823027449 /nfs/dbraw/zinc/02/74/49/823027449.db2.gz KAFQMUCBEADZQS-UHFFFAOYSA-N 1 0 385.430 4.157 20 0 GIADRO Cc1cccc(C(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)c1Br ZINC000187233119 823028513 /nfs/dbraw/zinc/02/85/13/823028513.db2.gz LIZVXXOWURBAQC-KSSFIOAISA-N 1 0 375.310 4.179 20 0 GIADRO O[C@@H]([C@@H]1CCC[N@H+](Cc2ccc(-c3c(F)cccc3F)o2)C1)C(F)(F)F ZINC000570358778 823028714 /nfs/dbraw/zinc/02/87/14/823028714.db2.gz NOHVETLIPPNXTJ-DIFFPNOSSA-N 1 0 375.337 4.360 20 0 GIADRO C[C@H](NC(=O)c1ccc(F)cc1Br)[C@H](c1ccccc1)[NH+](C)C ZINC000187237652 823028967 /nfs/dbraw/zinc/02/89/67/823028967.db2.gz RLBKPLLUCVBMEA-YVEFUNNKSA-N 1 0 379.273 4.009 20 0 GIADRO COc1ccc(CN(Cc2ccco2)C2CC[NH+](C)CC2)cc1OCC(C)C ZINC000570365724 823029438 /nfs/dbraw/zinc/02/94/38/823029438.db2.gz RAISEJWNUGXGRH-UHFFFAOYSA-N 1 0 386.536 4.419 20 0 GIADRO CC(C)c1nc2ccc(NC(=O)[C@H]([NH2+]C3CCOCC3)C(C)C)cc2s1 ZINC000175741061 823030091 /nfs/dbraw/zinc/03/00/91/823030091.db2.gz IMNQSHYOASYHRU-GOSISDBHSA-N 1 0 375.538 4.151 20 0 GIADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000175742350 823030415 /nfs/dbraw/zinc/03/04/15/823030415.db2.gz ZPJWLVAFCBJZDE-OAQYLSRUSA-N 1 0 394.519 4.277 20 0 GIADRO Cc1ccc(-c2noc(-c3cnn(CC[NH+](C)C)c3-c3ccccc3)n2)cc1F ZINC000570372364 823030698 /nfs/dbraw/zinc/03/06/98/823030698.db2.gz TYKZFRZWYOQROS-UHFFFAOYSA-N 1 0 391.450 4.276 20 0 GIADRO C[C@H](Oc1cccnc1NC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2)c1ccccc1 ZINC000570372250 823030834 /nfs/dbraw/zinc/03/08/34/823030834.db2.gz IDUXWROFMDQKMK-FDDCHVKYSA-N 1 0 394.519 4.171 20 0 GIADRO Cc1ccc(-c2nc(CC(=O)N[C@H](C)[C@H](c3ccccc3)[NH+](C)C)cs2)o1 ZINC000187255068 823031230 /nfs/dbraw/zinc/03/12/30/823031230.db2.gz MCBQUTUISUPOPG-FOIQADDNSA-N 1 0 383.517 4.062 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)Nc2ccc([S@](C)=O)cc2)cc1 ZINC000175748377 823031496 /nfs/dbraw/zinc/03/14/96/823031496.db2.gz GVUHHXSXCKEWDE-UULLZXFKSA-N 1 0 399.560 4.120 20 0 GIADRO Cc1cccnc1[C@@H]([NH2+]C[C@@H](O)c1ccc(F)c(Br)c1)C(C)C ZINC000187258895 823031830 /nfs/dbraw/zinc/03/18/30/823031830.db2.gz FYASWLCAIAHFKF-SJORKVTESA-N 1 0 381.289 4.312 20 0 GIADRO COc1ccccc1O[C@@H](C)C[NH2+][C@H](C)c1ncc(Br)cc1F ZINC000187259806 823032069 /nfs/dbraw/zinc/03/20/69/823032069.db2.gz FENBICWUTQGJSG-NWDGAFQWSA-N 1 0 383.261 4.110 20 0 GIADRO COc1ccc(C(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc1-c1ccccn1 ZINC000187260558 823032277 /nfs/dbraw/zinc/03/22/77/823032277.db2.gz JGCCYSXZHFIWPD-SBUREZEXSA-N 1 0 389.499 4.178 20 0 GIADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]C[C@H](C)Sc1ccccc1 ZINC000187270622 823034211 /nfs/dbraw/zinc/03/42/11/823034211.db2.gz YADGJYYEPUSNTR-AWEZNQCLSA-N 1 0 383.966 4.404 20 0 GIADRO CCC(CC)(CNC(=O)N1CC[C@H](O)CC(C)(C)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000458377168 823034307 /nfs/dbraw/zinc/03/43/07/823034307.db2.gz QXRZQGIRPVUKPV-ICSRJNTNSA-N 1 0 389.584 4.089 20 0 GIADRO CCC(CC)(CNC(=O)N[C@@H]1C[C@@H](C)n2ccnc21)[NH2+][C@@H](C)c1ccccc1 ZINC000458380604 823034623 /nfs/dbraw/zinc/03/46/23/823034623.db2.gz URHLILBNOSRFGO-ZIFCJYIRSA-N 1 0 383.540 4.098 20 0 GIADRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)Cc1coc3ccccc13)c1ccccc1O2 ZINC000570418042 823035198 /nfs/dbraw/zinc/03/51/98/823035198.db2.gz ZADGMTCKRUATHP-FQEVSTJZSA-N 1 0 390.483 4.080 20 0 GIADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)N[C@@H](Cc3ccccc3)c3cccs3)C2)C1 ZINC000458390230 823035845 /nfs/dbraw/zinc/03/58/45/823035845.db2.gz GNCYCSBNMOHREJ-UGKGYDQZSA-N 1 0 383.561 4.159 20 0 GIADRO C[C@@H](Cc1ccccc1Br)[NH2+]Cc1ccc2c(c1)CCC(=O)N2C ZINC000187298503 823039150 /nfs/dbraw/zinc/03/91/50/823039150.db2.gz FYMMCTWCUMZYPC-AWEZNQCLSA-N 1 0 387.321 4.079 20 0 GIADRO CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000175782202 823039209 /nfs/dbraw/zinc/03/92/09/823039209.db2.gz YETAXJCNWVIYJZ-YWZLYKJASA-N 1 0 393.959 4.122 20 0 GIADRO COc1c(Br)cccc1C[NH2+]C[C@@H](C[C@H](C)O)c1ccccc1 ZINC000187298167 823039200 /nfs/dbraw/zinc/03/92/00/823039200.db2.gz XRUDPZJBLWXDHY-WMLDXEAASA-N 1 0 378.310 4.102 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)CC[N@@H+]1C ZINC000187299658 823039367 /nfs/dbraw/zinc/03/93/67/823039367.db2.gz IOIMLIILQAQJEZ-KBPBESRZSA-N 1 0 396.409 4.400 20 0 GIADRO C[C@H]([NH2+][C@@H](c1cccc(F)c1)c1cccc(Cl)c1)C1CCS(=O)(=O)CC1 ZINC000187301654 823039645 /nfs/dbraw/zinc/03/96/45/823039645.db2.gz MTDBRBXHPQADSA-VBKZILBWSA-N 1 0 395.927 4.371 20 0 GIADRO [NH3+]Cc1ccc(CNC(=O)N2CCC(F)(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000570449082 823040010 /nfs/dbraw/zinc/04/00/10/823040010.db2.gz KTSVRQHALNDUBB-UHFFFAOYSA-N 1 0 389.902 4.055 20 0 GIADRO Cc1ccc2c([nH+]cc(C(=O)[O-])c2N2CC[NH+]([C@H](C)c3ccsc3)CC2)c1C ZINC000570455281 823040138 /nfs/dbraw/zinc/04/01/38/823040138.db2.gz YFAZMPFZHTVHGT-MRXNPFEDSA-N 1 0 395.528 4.495 20 0 GIADRO Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000570459007 823040817 /nfs/dbraw/zinc/04/08/17/823040817.db2.gz WTKHWXFFSRMWPZ-UHFFFAOYSA-N 1 0 393.409 4.012 20 0 GIADRO O=C(c1cn(Cc2ccccc2)c2ccccc12)N1CCC([NH2+]CC2CC2)CC1 ZINC000570458799 823040887 /nfs/dbraw/zinc/04/08/87/823040887.db2.gz GPUYSTZOASBFOJ-UHFFFAOYSA-N 1 0 387.527 4.294 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H]2C[C@H]2c2ccccc2F)[C@@H]1c1cccs1 ZINC000458443099 823040949 /nfs/dbraw/zinc/04/09/49/823040949.db2.gz WZGJYBWZHDMIOY-LBLLVPRASA-N 1 0 387.524 4.125 20 0 GIADRO CC[C@@H](C(=O)Nc1ccc(NC(=O)c2ccco2)cc1)[N@H+](C)Cc1ccccc1 ZINC000570466980 823041624 /nfs/dbraw/zinc/04/16/24/823041624.db2.gz NVRBDILTKQVOFW-FQEVSTJZSA-N 1 0 391.471 4.381 20 0 GIADRO Cc1cnc([C@@H](NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)C2CC2)s1 ZINC000458452075 823042279 /nfs/dbraw/zinc/04/22/79/823042279.db2.gz HJWDUJJPUZLQGQ-UZLBHIALSA-N 1 0 398.576 4.066 20 0 GIADRO COc1cccc(-c2ccc(CNC(=O)NCCCC[N@H+](C)C3CC3)cc2)c1 ZINC000458456996 823042932 /nfs/dbraw/zinc/04/29/32/823042932.db2.gz NWCAPBNEJOVKBA-UHFFFAOYSA-N 1 0 381.520 4.036 20 0 GIADRO CN(C(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458462605 823043658 /nfs/dbraw/zinc/04/36/58/823043658.db2.gz RRQQAJCGZZRCJP-ARFHVFGLSA-N 1 0 375.479 4.013 20 0 GIADRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@H]1C[C@@]12CCc1ccccc12 ZINC000175803559 823044180 /nfs/dbraw/zinc/04/41/80/823044180.db2.gz MQXYYWZGHQVNTR-XUZZJYLKSA-N 1 0 392.568 4.386 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)c2ccc(NC(=O)CC(C)C)c(C)c2)[NH+](C)C)cc1 ZINC000460919154 823542152 /nfs/dbraw/zinc/54/21/52/823542152.db2.gz AXCNVGPCQKUBPF-JOCHJYFZSA-N 1 0 395.547 4.321 20 0 GIADRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)NCc1cccc2ccccc21 ZINC000060565313 823543014 /nfs/dbraw/zinc/54/30/14/823543014.db2.gz CXEXXMKMYRYBQC-UHFFFAOYSA-N 1 0 379.479 4.252 20 0 GIADRO CCN(C(=O)NC1CC[NH+](CCc2ccccc2)CC1)[C@H](C)Cc1ccsc1 ZINC000190149756 823543482 /nfs/dbraw/zinc/54/34/82/823543482.db2.gz MTGHKLVXOKLEOZ-LJQANCHMSA-N 1 0 399.604 4.418 20 0 GIADRO CCCCOc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(-n3cnnn3)cc2)cc1OC ZINC000177899301 823543590 /nfs/dbraw/zinc/54/35/90/823543590.db2.gz GVNKTKJEWAZWRG-IRXDYDNUSA-N 1 0 395.507 4.262 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)NCC(C)(C)c2cccc(Cl)c2)CC1 ZINC000060575912 823543931 /nfs/dbraw/zinc/54/39/31/823543931.db2.gz OECNEZQTUYKFGN-UHFFFAOYSA-N 1 0 379.976 4.379 20 0 GIADRO CCCn1c(C)cc(/C=C(/C#N)C(=O)NCCCC[NH+]2CCC(C)CC2)c1C ZINC000060576922 823544128 /nfs/dbraw/zinc/54/41/28/823544128.db2.gz FSFIHCZYJXVVOX-JWGURIENSA-N 1 0 384.568 4.050 20 0 GIADRO CC(=O)c1c(C)[nH]c(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1C(C)C ZINC000123840699 823544790 /nfs/dbraw/zinc/54/47/90/823544790.db2.gz REGMHEVWHWHRCN-UHFFFAOYSA-N 1 0 381.520 4.175 20 0 GIADRO C[C@@H]([NH2+]CCCC(=O)Nc1ccc(Cl)cc1)c1ccc([S@@](C)=O)cc1 ZINC000177911199 823545483 /nfs/dbraw/zinc/54/54/83/823545483.db2.gz QNSOPBPTSDILDW-DLUDVSRJSA-N 1 0 378.925 4.147 20 0 GIADRO O=C(Nc1ccc(-c2cnco2)cc1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000123854702 823546106 /nfs/dbraw/zinc/54/61/06/823546106.db2.gz CUCZSDXXJOPHMO-SFHVURJKSA-N 1 0 379.435 4.331 20 0 GIADRO CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000123855818 823546293 /nfs/dbraw/zinc/54/62/93/823546293.db2.gz XYAGIQOXWLDHGA-HNNXBMFYSA-N 1 0 388.943 4.104 20 0 GIADRO CC[C@@H]([NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(C)cc1 ZINC000177920359 823546437 /nfs/dbraw/zinc/54/64/37/823546437.db2.gz LJMRLGBOAHVJFB-SELNLUPBSA-N 1 0 380.532 4.485 20 0 GIADRO C[C@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(F)c(F)c1 ZINC000460943852 823547672 /nfs/dbraw/zinc/54/76/72/823547672.db2.gz ONNBCHZQELGCJN-GJZGRUSLSA-N 1 0 378.488 4.158 20 0 GIADRO COc1ccc([C@@H](C)[C@@H](C)[NH2+]Cc2ccc(Cn3ccccc3=O)cc2)cc1 ZINC000177930982 823547635 /nfs/dbraw/zinc/54/76/35/823547635.db2.gz GBBAKFMEWHOTJJ-RBUKOAKNSA-N 1 0 376.500 4.187 20 0 GIADRO COc1cc([C@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cc2)ccc1OC(F)F ZINC000177934248 823548018 /nfs/dbraw/zinc/54/80/18/823548018.db2.gz RSFCRKCGIFFUPP-NSHDSACASA-N 1 0 384.810 4.239 20 0 GIADRO C[C@@H]1C[C@@H](CCNC(=O)N2CC3(CCC3)[C@H]2C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000460948013 823548475 /nfs/dbraw/zinc/54/84/75/823548475.db2.gz IJPCKVOGTRAWBB-SYYKKAFVSA-N 1 0 381.564 4.261 20 0 GIADRO CCOc1c(Cl)cc(C[NH2+]CCc2nc3cc(F)ccc3n2C)cc1OC ZINC000123904505 823550571 /nfs/dbraw/zinc/55/05/71/823550571.db2.gz HPYWOOUJTQTOLK-UHFFFAOYSA-N 1 0 391.874 4.105 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)c2cc(C)cc(C)c2Br)c1 ZINC000460966065 823552317 /nfs/dbraw/zinc/55/23/17/823552317.db2.gz BGTVKSBAWRNMMF-UHFFFAOYSA-N 1 0 389.337 4.448 20 0 GIADRO O=C(C[C@@H](c1ccc(O)cc1)C1CC1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000411155910 823552557 /nfs/dbraw/zinc/55/25/57/823552557.db2.gz IMTPUYOSQASOKM-DHIUTWEWSA-N 1 0 378.516 4.229 20 0 GIADRO CC[C@@H](C(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1)c1ccc(F)cc1 ZINC000460968534 823552612 /nfs/dbraw/zinc/55/26/12/823552612.db2.gz IRVSQNPOPLWANZ-FGZHOGPDSA-N 1 0 384.495 4.281 20 0 GIADRO Cc1cc(NC(=O)C(=O)N[C@H](c2ccc(F)cc2)C(C)(C)C)ccc1C[NH+](C)C ZINC000411157708 823552674 /nfs/dbraw/zinc/55/26/74/823552674.db2.gz QZYGCPXXYIYBOX-HXUWFJFHSA-N 1 0 399.510 4.038 20 0 GIADRO Cc1cc(C)c(Br)c(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)c1 ZINC000460970347 823552963 /nfs/dbraw/zinc/55/29/63/823552963.db2.gz PRWXVUGUGCPIEM-OAHLLOKOSA-N 1 0 381.339 4.160 20 0 GIADRO FC(F)(F)Oc1ccc(C[NH2+]CCc2nc(-c3ccccn3)cs2)cc1 ZINC000123940166 823553523 /nfs/dbraw/zinc/55/35/23/823553523.db2.gz QILMKZDVBRDXIZ-UHFFFAOYSA-N 1 0 379.407 4.436 20 0 GIADRO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C[NH+]1CCC(CC(N)=O)CC1 ZINC000411176231 823554482 /nfs/dbraw/zinc/55/44/82/823554482.db2.gz SMUIKEJFRJNRMC-UHFFFAOYSA-N 1 0 397.466 4.225 20 0 GIADRO CC[C@H](C(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1)C1CCC(C)CC1 ZINC000460978279 823554702 /nfs/dbraw/zinc/55/47/02/823554702.db2.gz JHUJVIWRHKYADT-XPJNUEMQSA-N 1 0 385.596 4.399 20 0 GIADRO Fc1c(F)c(CN2CCC([NH+]3CCCC3)CC2)c(F)c(F)c1Br ZINC000411179082 823554962 /nfs/dbraw/zinc/55/49/62/823554962.db2.gz ZIIQEHHRLKYNTQ-UHFFFAOYSA-N 1 0 395.238 4.066 20 0 GIADRO Cc1ccc(F)cc1C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123957951 823555508 /nfs/dbraw/zinc/55/55/08/823555508.db2.gz REIMMLOCUIIVFZ-IFXJQAMLSA-N 1 0 378.850 4.349 20 0 GIADRO CCc1cccc(CC)c1-n1c(SCC[NH+](C)C)nnc1-c1cccnc1 ZINC000060759876 823555924 /nfs/dbraw/zinc/55/59/24/823555924.db2.gz SXVPXPADXPJYBH-UHFFFAOYSA-N 1 0 381.549 4.108 20 0 GIADRO C[C@@H](CC(F)F)C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000411195426 823556189 /nfs/dbraw/zinc/55/61/89/823556189.db2.gz BNSMPHZUVKYKBK-ZDUSSCGKSA-N 1 0 378.385 4.031 20 0 GIADRO O=C(C[C@H](c1ccc(O)cc1)C1CC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000411198340 823556578 /nfs/dbraw/zinc/55/65/78/823556578.db2.gz ZFVWQCPZTIAQEF-QHCPKHFHSA-N 1 0 378.516 4.188 20 0 GIADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)C2(Cc3ccccc3Cl)CC2)CC1 ZINC000190257262 823557025 /nfs/dbraw/zinc/55/70/25/823557025.db2.gz XJUZCMWVXFRFFD-QGZVFWFLSA-N 1 0 397.950 4.400 20 0 GIADRO CC(C)(CC(F)F)C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000411202277 823557142 /nfs/dbraw/zinc/55/71/42/823557142.db2.gz UXNMOYOYSGZFND-UHFFFAOYSA-N 1 0 392.412 4.421 20 0 GIADRO C[C@H]([NH2+][C@H](CO)Cc1c[nH]c2ccccc12)c1ccc(Br)s1 ZINC000123981861 823557741 /nfs/dbraw/zinc/55/77/41/823557741.db2.gz RHFHKXYIKNXEPP-AAEUAGOBSA-N 1 0 379.323 4.246 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccccc1OC)c1cccc(OC)c1 ZINC000411219095 823558116 /nfs/dbraw/zinc/55/81/16/823558116.db2.gz CSXXUHXCUVQIFO-BDTNDASRSA-N 1 0 396.531 4.007 20 0 GIADRO CCOc1cc(C[NH2+]C2CCCCCCC2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000060807031 823558994 /nfs/dbraw/zinc/55/89/94/823558994.db2.gz NNKZGUJQJVUWNR-KRWDZBQOSA-N 1 0 376.541 4.143 20 0 GIADRO CC[C@@H](CO)[NH2+]Cc1ccc(OCc2cccc(C(F)(F)F)c2)c(OC)c1 ZINC000060806902 823559066 /nfs/dbraw/zinc/55/90/66/823559066.db2.gz ILKRCGUEOLWUIL-KRWDZBQOSA-N 1 0 383.410 4.154 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)N(Cc1c(F)cccc1F)C1CC1 ZINC000190283005 823559048 /nfs/dbraw/zinc/55/90/48/823559048.db2.gz FOZJEXKZVDZXBR-UHFFFAOYSA-N 1 0 399.485 4.303 20 0 GIADRO COCC(C)(C)[NH2+]Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1 ZINC000411233163 823559362 /nfs/dbraw/zinc/55/93/62/823559362.db2.gz UUWKRYJRFNRHTJ-UHFFFAOYSA-N 1 0 377.897 4.232 20 0 GIADRO O=C(C[NH2+]Cc1cccc(OCc2ccccc2)c1)Nc1ccc(F)c(F)c1 ZINC000060818664 823559672 /nfs/dbraw/zinc/55/96/72/823559672.db2.gz BJZUCLDFLSGPPM-UHFFFAOYSA-N 1 0 382.410 4.272 20 0 GIADRO COc1ccc([C@@H](C[NH2+]Cc2ccc(OC)cc2OC)N2CCCCC2)cc1 ZINC000060828304 823560622 /nfs/dbraw/zinc/56/06/22/823560622.db2.gz BKIFMQWYGALOTG-JOCHJYFZSA-N 1 0 384.520 4.029 20 0 GIADRO Cc1cn2c(n1)CC[C@H]([NH2+][C@H](C)c1nnc(-c3ccc(Cl)cc3Cl)o1)C2 ZINC000124034126 823561472 /nfs/dbraw/zinc/56/14/72/823561472.db2.gz YAKFSZRRIDUZOP-YPMHNXCESA-N 1 0 392.290 4.214 20 0 GIADRO CC[C@H]([NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(F)c1)c1ccc(OC)c(OC)c1 ZINC000124039057 823562121 /nfs/dbraw/zinc/56/21/21/823562121.db2.gz FCWWPZLDPXCGCS-DYVFJYSZSA-N 1 0 395.496 4.048 20 0 GIADRO CCc1nc(C)c([C@@H](C)[N@H+](C)C[C@H](O)COc2ccc(SC)cc2)s1 ZINC000411285778 823562295 /nfs/dbraw/zinc/56/22/95/823562295.db2.gz SQRWABCQJHRPDZ-CABCVRRESA-N 1 0 380.579 4.169 20 0 GIADRO O=C(N[C@H]1c2ccccc2CC12CCOCC2)c1ccc(C[NH+]2CCCC2)cc1 ZINC000461034615 823562840 /nfs/dbraw/zinc/56/28/40/823562840.db2.gz PLMFAEIHUBGHAK-QHCPKHFHSA-N 1 0 390.527 4.106 20 0 GIADRO Cn1cccc1[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1Br ZINC000411299375 823562993 /nfs/dbraw/zinc/56/29/93/823562993.db2.gz ALGZZJHJLQQMRC-GOSISDBHSA-N 1 0 390.325 4.343 20 0 GIADRO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2cnc3ccc(C)cc3c2)C1 ZINC000411298905 823563023 /nfs/dbraw/zinc/56/30/23/823563023.db2.gz UCYDQKAPXFXYHW-QGZVFWFLSA-N 1 0 393.453 4.166 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)[C@H]2CCSc3ccccc32)cc1Cl ZINC000461035816 823563119 /nfs/dbraw/zinc/56/31/19/823563119.db2.gz BIGROCNYLZGFEV-INIZCTEOSA-N 1 0 390.936 4.499 20 0 GIADRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000461037608 823563255 /nfs/dbraw/zinc/56/32/55/823563255.db2.gz MYZAZQPKHSAJAM-QGZVFWFLSA-N 1 0 396.560 4.118 20 0 GIADRO C[C@H](Cc1ccc(O)cc1)[N@H+](C)CCC(=O)Nc1ccccc1Br ZINC000411316532 823564244 /nfs/dbraw/zinc/56/42/44/823564244.db2.gz AFMKNJGPXDYMOJ-CQSZACIVSA-N 1 0 391.309 4.046 20 0 GIADRO CNC(=O)CCOC1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000411322965 823564469 /nfs/dbraw/zinc/56/44/69/823564469.db2.gz DMPNDPMWCZSREB-JOCHJYFZSA-N 1 0 386.923 4.047 20 0 GIADRO FC(F)(F)COCCCN1CC[NH+](CCCc2cccc3ccccc32)CC1 ZINC000124069540 823564951 /nfs/dbraw/zinc/56/49/51/823564951.db2.gz BCYXDYOTSZNSLW-UHFFFAOYSA-N 1 0 394.481 4.359 20 0 GIADRO O=C(CC[N@@H+]1CCS[C@H]2CCCC[C@@H]21)Nc1ccccc1Br ZINC000411340804 823565348 /nfs/dbraw/zinc/56/53/48/823565348.db2.gz YJWYJRDKJRAWKH-HOTGVXAUSA-N 1 0 383.355 4.138 20 0 GIADRO O=C(CC[N@@H+]1CCS[C@@H]2CCCC[C@H]21)Nc1ccccc1Br ZINC000411340808 823565365 /nfs/dbraw/zinc/56/53/65/823565365.db2.gz YJWYJRDKJRAWKH-HZPDHXFCSA-N 1 0 383.355 4.138 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)CSCc2ccc(Cl)cc2Cl)CC[N@@H+]1C ZINC000124077592 823565624 /nfs/dbraw/zinc/56/56/24/823565624.db2.gz OJZQOJXBBFAWJP-WFASDCNBSA-N 1 0 375.365 4.168 20 0 GIADRO O=C(C[C@H](Cc1ccccc1)c1ccccc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000461051964 823566245 /nfs/dbraw/zinc/56/62/45/823566245.db2.gz LNGWVLJKZKSZJB-UPVQGACJSA-N 1 0 376.544 4.347 20 0 GIADRO COc1cccc(CN(CC[NH+](C)C)C(=O)Nc2c(C)cccc2SC)c1 ZINC000190364447 823566678 /nfs/dbraw/zinc/56/66/78/823566678.db2.gz HNLJPJNBGBEEIB-UHFFFAOYSA-N 1 0 387.549 4.321 20 0 GIADRO COc1ccccc1[C@@H]([NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccn1 ZINC000124090888 823566788 /nfs/dbraw/zinc/56/67/88/823566788.db2.gz ZDGCDYWFZHLPEL-OAQYLSRUSA-N 1 0 397.519 4.169 20 0 GIADRO COc1ccccc1[C@H]([NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccn1 ZINC000124090638 823566836 /nfs/dbraw/zinc/56/68/36/823566836.db2.gz ZDGCDYWFZHLPEL-NRFANRHFSA-N 1 0 397.519 4.169 20 0 GIADRO O=C(CC[NH2+]C1(c2cccc(C(F)(F)F)c2)CC1)N1CCc2sccc2C1 ZINC000411369004 823566905 /nfs/dbraw/zinc/56/69/05/823566905.db2.gz WYMFPNIMZNBJOD-UHFFFAOYSA-N 1 0 394.462 4.321 20 0 GIADRO CC(C)Oc1ccc(NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)cc1Cl ZINC000411373679 823567085 /nfs/dbraw/zinc/56/70/85/823567085.db2.gz ZGXBZAIHWUBYHW-MRXNPFEDSA-N 1 0 382.957 4.283 20 0 GIADRO O=C(CC[NH2+]C1(c2nccs2)CCCC1)Nc1ccc(Br)cc1 ZINC000411379398 823567615 /nfs/dbraw/zinc/56/76/15/823567615.db2.gz AQZIYBVIOZXMDY-UHFFFAOYSA-N 1 0 394.338 4.293 20 0 GIADRO Cc1cc(N2CCOCC2)ccc1NC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000411380958 823567802 /nfs/dbraw/zinc/56/78/02/823567802.db2.gz DCUJYFTUQOBZDA-UHFFFAOYSA-N 1 0 393.531 4.070 20 0 GIADRO COc1ccc(NC(=O)CC[NH2+]C2(c3nccs3)CCCC2)cc1Cl ZINC000411382893 823568156 /nfs/dbraw/zinc/56/81/56/823568156.db2.gz GVJJPTAAEPYARX-UHFFFAOYSA-N 1 0 379.913 4.193 20 0 GIADRO Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[NH2+]C1CCN(CC(F)F)CC1 ZINC000060953578 823569140 /nfs/dbraw/zinc/56/91/40/823569140.db2.gz WVBIUNOLLGAUJT-UHFFFAOYSA-N 1 0 396.913 4.270 20 0 GIADRO Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[NH2+]C1CCN(CC(F)F)CC1 ZINC000060953636 823569179 /nfs/dbraw/zinc/56/91/79/823569179.db2.gz YAISJORDEUHHLS-UHFFFAOYSA-N 1 0 396.913 4.021 20 0 GIADRO Cc1nccn1CCC[NH2+][C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000124123351 823569570 /nfs/dbraw/zinc/56/95/70/823569570.db2.gz RMNGWUDPUCVZCL-NRFANRHFSA-N 1 0 377.467 4.102 20 0 GIADRO c1nc(C2CCCC2)sc1C[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000124130548 823570307 /nfs/dbraw/zinc/57/03/07/823570307.db2.gz VHKZLWFIMCBUCY-QGZVFWFLSA-N 1 0 385.581 4.498 20 0 GIADRO Cc1ccc(NS(=O)(=O)Cc2c(Cl)cccc2Cl)c(C[NH+](C)C)c1 ZINC000190415780 823570776 /nfs/dbraw/zinc/57/07/76/823570776.db2.gz OLCNIWMVNQIGTN-UHFFFAOYSA-N 1 0 387.332 4.305 20 0 GIADRO c1cncc(-c2cccc(C[N@@H+]3CCC[C@H](c4nnc5n4CCCCC5)C3)c2)c1 ZINC000124143088 823571442 /nfs/dbraw/zinc/57/14/42/823571442.db2.gz ARNFSJVQBKFQNJ-QFIPXVFZSA-N 1 0 387.531 4.446 20 0 GIADRO CC[C@H](c1ccncc1)[N@H+](C)CCC(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000411417132 823571695 /nfs/dbraw/zinc/57/16/95/823571695.db2.gz DVSLSANFJKCAII-OAQYLSRUSA-N 1 0 391.519 4.296 20 0 GIADRO COc1cc(Br)ccc1[C@@H](C)[NH2+]CCC(=O)Nc1ccccc1C ZINC000190423903 823571822 /nfs/dbraw/zinc/57/18/22/823571822.db2.gz YRYHEWPMRFNFAK-CQSZACIVSA-N 1 0 391.309 4.446 20 0 GIADRO c1csc(-c2nn(Cc3ccccc3)cc2C[NH2+]CCCn2ccnc2)c1 ZINC000061003045 823572088 /nfs/dbraw/zinc/57/20/88/823572088.db2.gz CNAZXXHTQKLYMV-UHFFFAOYSA-N 1 0 377.517 4.036 20 0 GIADRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2ccc3noc(-c4ccc(F)cc4)c3c2)C1 ZINC000124153160 823572286 /nfs/dbraw/zinc/57/22/86/823572286.db2.gz KEBFDOANRAYLTI-MRXNPFEDSA-N 1 0 395.478 4.438 20 0 GIADRO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000190427063 823572230 /nfs/dbraw/zinc/57/22/30/823572230.db2.gz MGEQAAMPRCXASG-HOTGVXAUSA-N 1 0 398.732 4.329 20 0 GIADRO Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C[NH2+]CCc1ccccn1 ZINC000061003571 823572347 /nfs/dbraw/zinc/57/23/47/823572347.db2.gz MIXDTAPFIYKYFR-UHFFFAOYSA-N 1 0 375.303 4.274 20 0 GIADRO O=C(CC[N@H+](Cc1ccncc1)C1CC1)N[C@H](c1cccs1)c1ccccc1 ZINC000411424486 823572752 /nfs/dbraw/zinc/57/27/52/823572752.db2.gz WJRKNAKHWKHYNN-QHCPKHFHSA-N 1 0 391.540 4.403 20 0 GIADRO CC[C@H](c1ccncc1)[N@H+](C)CCC(=O)Nc1cccc(Br)c1 ZINC000411428787 823573188 /nfs/dbraw/zinc/57/31/88/823573188.db2.gz PHXJLGGTDIZPFZ-QGZVFWFLSA-N 1 0 376.298 4.256 20 0 GIADRO CC[C@@H]([NH2+][C@H]1CCN(Cc2ccc(OC)cc2)C1=O)c1cccc(Cl)c1F ZINC000461085200 823573447 /nfs/dbraw/zinc/57/34/47/823573447.db2.gz FNTVAKSCGQTRHA-MOPGFXCFSA-N 1 0 390.886 4.330 20 0 GIADRO Cc1cccc2c1OCC[C@H]2NC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000190435794 823573563 /nfs/dbraw/zinc/57/35/63/823573563.db2.gz XMQQFQQSGZRTPB-YLJYHZDGSA-N 1 0 399.560 4.092 20 0 GIADRO C[C@]1(CCCO)CCC[N@@H+]1CCC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000411433980 823573804 /nfs/dbraw/zinc/57/38/04/823573804.db2.gz BCWZPKVNZKEPBZ-XMMPIXPASA-N 1 0 396.531 4.221 20 0 GIADRO C[C@@H]([NH2+]CCC(=O)N(C)c1ccccc1)c1cccc(OCc2ccccn2)c1 ZINC000411443342 823574612 /nfs/dbraw/zinc/57/46/12/823574612.db2.gz ICDGJTLIVFDYED-LJQANCHMSA-N 1 0 389.499 4.364 20 0 GIADRO CC[NH+](CC)CCN(C(=O)[C@@H]1CCO[C@@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000461089522 823574646 /nfs/dbraw/zinc/57/46/46/823574646.db2.gz XGORUBIYHXCSQG-JKSUJKDBSA-N 1 0 386.458 4.195 20 0 GIADRO CCOc1ccccc1NC(=O)CC[NH2+][C@H](C)c1cc(OC)c(OC)cc1C ZINC000411442265 823574664 /nfs/dbraw/zinc/57/46/64/823574664.db2.gz GLQXZGIESQANNK-MRXNPFEDSA-N 1 0 386.492 4.090 20 0 GIADRO COc1cc([C@H](C)[NH2+]CCc2nc3ccccc3c(=O)[nH]2)ccc1OCC(C)C ZINC000411443952 823574808 /nfs/dbraw/zinc/57/48/08/823574808.db2.gz DDGIXFZZIPADFQ-INIZCTEOSA-N 1 0 395.503 4.272 20 0 GIADRO CCc1ccc(C[NH2+][C@H](C)c2ccc(OCc3ccncc3)c(OC)c2)nc1 ZINC000411445141 823574833 /nfs/dbraw/zinc/57/48/33/823574833.db2.gz GKPVIKBQECFWJZ-QGZVFWFLSA-N 1 0 377.488 4.477 20 0 GIADRO COc1cc(Br)ccc1[C@@H](C)[NH2+]Cc1ccc(NC(C)=O)cc1 ZINC000190444657 823575080 /nfs/dbraw/zinc/57/50/80/823575080.db2.gz XXMXBSNWQNGGLH-GFCCVEGCSA-N 1 0 377.282 4.267 20 0 GIADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C(=O)Nc2ccccc2)c2ccccc2)C[C@@H]1C ZINC000461093869 823575510 /nfs/dbraw/zinc/57/55/10/823575510.db2.gz JWBTYKDFWBBSRL-GUGJDKNPSA-N 1 0 394.515 4.324 20 0 GIADRO COc1ccc(C)cc1[C@H](C)[NH2+]CCC(=O)Nc1ccccc1Br ZINC000411452508 823576203 /nfs/dbraw/zinc/57/62/03/823576203.db2.gz GTXOOHXEZCYHBW-AWEZNQCLSA-N 1 0 391.309 4.446 20 0 GIADRO COc1cc(C)c([C@H](C)[NH2+]CCC(=O)Nc2ccc(Cl)cc2F)cc1OC ZINC000411453559 823576459 /nfs/dbraw/zinc/57/64/59/823576459.db2.gz XSQGZHFKIVLSSG-ZDUSSCGKSA-N 1 0 394.874 4.484 20 0 GIADRO COc1ccc([C@@H](CCO)[NH2+]Cc2cc(Cl)cc(Br)c2)cc1 ZINC000411460949 823577379 /nfs/dbraw/zinc/57/73/79/823577379.db2.gz PGZFWHQQIWWVOC-QGZVFWFLSA-N 1 0 384.701 4.324 20 0 GIADRO COc1cc(C[NH2+]Cc2ccc(C#N)cc2)cc(OC)c1OCc1ccccc1 ZINC000061079285 823577494 /nfs/dbraw/zinc/57/74/94/823577494.db2.gz MWNVLXZNPFBIQH-UHFFFAOYSA-N 1 0 388.467 4.444 20 0 GIADRO CC(C)(C)n1nccc1NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000190461972 823577695 /nfs/dbraw/zinc/57/76/95/823577695.db2.gz FSFDVOYRJUHRGE-WOJBJXKFSA-N 1 0 395.551 4.157 20 0 GIADRO COc1cc(NC(=O)CC[NH2+][C@H](C)c2ccc(F)cc2F)c(OC)cc1Cl ZINC000411463879 823577806 /nfs/dbraw/zinc/57/78/06/823577806.db2.gz SNCPUABUTGYXKR-LLVKDONJSA-N 1 0 398.837 4.315 20 0 GIADRO CO[C@]1(C[NH2+][C@@H](c2ccc(Br)cc2)c2ccccc2F)CCOC1 ZINC000461104990 823578204 /nfs/dbraw/zinc/57/82/04/823578204.db2.gz YMRQUDHERUYZQM-OALUTQOASA-N 1 0 394.284 4.073 20 0 GIADRO CO[C@]1(C[NH2+][C@@H](c2cccc(SC)c2)c2cc(F)ccc2F)CCOC1 ZINC000461105161 823578275 /nfs/dbraw/zinc/57/82/75/823578275.db2.gz WUZBZFLOESFVKI-PMACEKPBSA-N 1 0 379.472 4.171 20 0 GIADRO O=C(NCC1([NH+]2CCCC2)CCOCC1)c1ccccc1Sc1ccccc1 ZINC000461105720 823578439 /nfs/dbraw/zinc/57/84/39/823578439.db2.gz FUFIANMFYJNHOO-UHFFFAOYSA-N 1 0 396.556 4.213 20 0 GIADRO C[NH+](C)C1(CNC(=O)NCc2ccc(-c3nc4ccccc4s3)o2)CCCC1 ZINC000061114779 823579057 /nfs/dbraw/zinc/57/90/57/823579057.db2.gz DHGMCWNCTPBEAH-UHFFFAOYSA-N 1 0 398.532 4.230 20 0 GIADRO COC[C@@H]([NH2+]CCc1nc(-c2cccc(Cl)c2)no1)c1ccc(F)cc1 ZINC000411476813 823579191 /nfs/dbraw/zinc/57/91/91/823579191.db2.gz QOTSGYCFPVMQGQ-QGZVFWFLSA-N 1 0 375.831 4.049 20 0 GIADRO Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+][C@@H](CCO)C1CCOCC1 ZINC000461110218 823579370 /nfs/dbraw/zinc/57/93/70/823579370.db2.gz OLYNNXFCLUYSFY-UGSOOPFHSA-N 1 0 378.513 4.086 20 0 GIADRO O=C(CC[NH2+][C@H](CCCO)c1ccccc1)Nc1cccc(C(F)(F)F)c1 ZINC000411477689 823579462 /nfs/dbraw/zinc/57/94/62/823579462.db2.gz XCYDUZQZKQZWBS-GOSISDBHSA-N 1 0 380.410 4.137 20 0 GIADRO CCOc1ccc([C@@H](C)NC(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)cc1 ZINC000061135698 823579980 /nfs/dbraw/zinc/57/99/80/823579980.db2.gz TVRFCDULWVGDEH-LJQANCHMSA-N 1 0 395.547 4.107 20 0 GIADRO CC(C)[C@@H]([NH2+]CCC(=O)Nc1cccc2ccccc21)c1nnc2ccccn21 ZINC000411484663 823580453 /nfs/dbraw/zinc/58/04/53/823580453.db2.gz FEASEGARZIPKHD-JOCHJYFZSA-N 1 0 387.487 4.198 20 0 GIADRO COc1cc(NC(=O)CC[NH2+][C@H](c2ccccc2C)C2CC2)cc(OC)c1OC ZINC000411485689 823580594 /nfs/dbraw/zinc/58/05/94/823580594.db2.gz GRHKFYKSXVJOOB-QFIPXVFZSA-N 1 0 398.503 4.090 20 0 GIADRO O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N1CCC(=Cc2cccc(F)c2)CC1 ZINC000411493798 823581185 /nfs/dbraw/zinc/58/11/85/823581185.db2.gz SQPDDKLRXBYAJJ-NRFANRHFSA-N 1 0 388.552 4.049 20 0 GIADRO CCOC(C[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2)C1)OCC ZINC000124256216 823581451 /nfs/dbraw/zinc/58/14/51/823581451.db2.gz QOMANLQMNCJHRQ-UHFFFAOYSA-N 1 0 383.492 4.088 20 0 GIADRO CCC[C@@H](NCc1cccc(C[NH+]2CCCCC2)c1)c1nnc2ccccn21 ZINC000411508689 823582382 /nfs/dbraw/zinc/58/23/82/823582382.db2.gz BFVPMYCOTQGZOC-OAQYLSRUSA-N 1 0 377.536 4.346 20 0 GIADRO CSc1ccccc1NC(=O)CC[NH+]1CCC(CCCn2ccnc2)CC1 ZINC000411510762 823582646 /nfs/dbraw/zinc/58/26/46/823582646.db2.gz ZJIVBKQGFZLOSP-UHFFFAOYSA-N 1 0 386.565 4.126 20 0 GIADRO CC(C)[NH+]1CCN(c2ccc(C(=O)N([C@@H](C)c3ccco3)C3CC3)cc2)CC1 ZINC000061191071 823583231 /nfs/dbraw/zinc/58/32/31/823583231.db2.gz DAGJMIFJHXIGIO-SFHVURJKSA-N 1 0 381.520 4.176 20 0 GIADRO Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]Cc1ccc(S(C)(=O)=O)o1 ZINC000411515911 823583463 /nfs/dbraw/zinc/58/34/63/823583463.db2.gz IRYCOUIGPSASKY-KRWDZBQOSA-N 1 0 375.515 4.127 20 0 GIADRO Cc1cc(C)c(NC(=O)CCC[NH+]2CCC(Oc3ccc(F)nc3)CC2)c(C)c1 ZINC000190525796 823583483 /nfs/dbraw/zinc/58/34/83/823583483.db2.gz OTDDAUNGDJCUDZ-UHFFFAOYSA-N 1 0 399.510 4.408 20 0 GIADRO CC(C)OCc1cccc(NC(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)c1 ZINC000061195891 823583729 /nfs/dbraw/zinc/58/37/29/823583729.db2.gz YTRBNYKZZXGMGO-UHFFFAOYSA-N 1 0 395.547 4.394 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]CC(=O)N1CCCC[C@H]1C ZINC000411522819 823584453 /nfs/dbraw/zinc/58/44/53/823584453.db2.gz XGEJKLUSAIPGRQ-KGLIPLIRSA-N 1 0 375.513 4.309 20 0 GIADRO Cc1cnc(C(C)(C)[NH2+]CCC(=O)Nc2cccc(Br)c2)s1 ZINC000411524036 823584462 /nfs/dbraw/zinc/58/44/62/823584462.db2.gz ZJYDOYQWWNHMPA-UHFFFAOYSA-N 1 0 382.327 4.068 20 0 GIADRO CC[C@H](NC(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C)c1cccc(Cl)c1 ZINC000061221556 823585084 /nfs/dbraw/zinc/58/50/84/823585084.db2.gz CTAIKVWGEDPZSI-PMACEKPBSA-N 1 0 389.927 4.402 20 0 GIADRO CC(C)([NH2+]CCc1nc(-c2ccccc2)no1)c1nc(C(F)(F)F)cs1 ZINC000411533380 823585518 /nfs/dbraw/zinc/58/55/18/823585518.db2.gz BKQRHVLVVZJLRB-UHFFFAOYSA-N 1 0 382.411 4.279 20 0 GIADRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCc1ccc(Br)cn1 ZINC000411534292 823585768 /nfs/dbraw/zinc/58/57/68/823585768.db2.gz PCESJOIUNXPFKI-HZPDHXFCSA-N 1 0 388.353 4.090 20 0 GIADRO CC[C@@H](c1nnc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)s1)c1ccccc1 ZINC000124314449 823586373 /nfs/dbraw/zinc/58/63/73/823586373.db2.gz OALOWDLBGMVCRR-KZNAEPCWSA-N 1 0 399.564 4.028 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)N(CCC(F)(F)F)Cc2ccccc2)cc1 ZINC000190562868 823586743 /nfs/dbraw/zinc/58/67/43/823586743.db2.gz RSUWTUMIKFBMLH-UHFFFAOYSA-N 1 0 393.453 4.412 20 0 GIADRO CCCN(CC[NH+](CC)CC)C(=O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000461149979 823588075 /nfs/dbraw/zinc/58/80/75/823588075.db2.gz GXXJWSNMSXTZAB-UHFFFAOYSA-N 1 0 381.520 4.133 20 0 GIADRO COc1ccccc1CCNC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000061261103 823588167 /nfs/dbraw/zinc/58/81/67/823588167.db2.gz NLHHFRPRVSNNDY-LJQANCHMSA-N 1 0 395.547 4.112 20 0 GIADRO Brc1ccc([C@@H]([NH2+]Cc2cccnc2-n2cccn2)C2CC2)s1 ZINC000190581933 823588186 /nfs/dbraw/zinc/58/81/86/823588186.db2.gz HIXBMLGLQHJFTN-INIZCTEOSA-N 1 0 389.322 4.332 20 0 GIADRO O=C(CC[NH2+][C@@H]1CCCC[C@H]1n1cccn1)Nc1ccccc1C(F)(F)F ZINC000411562087 823588444 /nfs/dbraw/zinc/58/84/44/823588444.db2.gz RTTIJONDVGHLJN-IAGOWNOFSA-N 1 0 380.414 4.004 20 0 GIADRO Cc1ccc(Cl)c(NC(=O)C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)c1C ZINC000411578338 823589013 /nfs/dbraw/zinc/58/90/13/823589013.db2.gz AMVYMHYITFRETK-SFHVURJKSA-N 1 0 385.895 4.083 20 0 GIADRO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]Cc1cccc(Br)c1Cl ZINC000411577566 823589027 /nfs/dbraw/zinc/58/90/27/823589027.db2.gz QHFJIZTVQLETBO-YOEHRIQHSA-N 1 0 398.732 4.073 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1cc2ccccc2o1)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000190591082 823589112 /nfs/dbraw/zinc/58/91/12/823589112.db2.gz KIRCLJCRVMJOQC-HUUCEWRRSA-N 1 0 380.444 4.272 20 0 GIADRO CN(Cc1ccc(-c2ncco2)cc1F)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000411580054 823589230 /nfs/dbraw/zinc/58/92/30/823589230.db2.gz FTVBJAINMDPFKH-FPOVZHCZSA-N 1 0 380.467 4.001 20 0 GIADRO COc1ccc(Cl)cc1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000061286251 823589557 /nfs/dbraw/zinc/58/95/57/823589557.db2.gz IHMMRORPUCCXNE-UHFFFAOYSA-N 1 0 390.936 4.079 20 0 GIADRO Cc1cccc(C)c1OCCC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000061288007 823589976 /nfs/dbraw/zinc/58/99/76/823589976.db2.gz FXLXILOIRMDEEI-UHFFFAOYSA-N 1 0 398.572 4.302 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)c1cnc(Cl)c(Cl)c1 ZINC000061289632 823590182 /nfs/dbraw/zinc/59/01/82/823590182.db2.gz LSGNEWWGTMTNJY-UHFFFAOYSA-N 1 0 396.343 4.232 20 0 GIADRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)C(F)(F)c1ccccc1 ZINC000061307633 823590895 /nfs/dbraw/zinc/59/08/95/823590895.db2.gz UIEGUURWQYTXLF-UHFFFAOYSA-N 1 0 376.472 4.274 20 0 GIADRO CCOC(=O)c1ccc(C[NH2+]C(C)(C)c2ccc(OC(F)(F)F)cc2)nc1 ZINC000411618196 823591009 /nfs/dbraw/zinc/59/10/09/823591009.db2.gz IBPYQLDUBYGJOS-UHFFFAOYSA-N 1 0 382.382 4.182 20 0 GIADRO O=C(CC[NH+]1CCN(c2cncc3ccccc32)CC1)Nc1ccccc1Cl ZINC000411622515 823591795 /nfs/dbraw/zinc/59/17/95/823591795.db2.gz UTJLNANHXCRRTD-UHFFFAOYSA-N 1 0 394.906 4.039 20 0 GIADRO CCCOC(=O)c1ccc(NC(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000061331783 823591862 /nfs/dbraw/zinc/59/18/62/823591862.db2.gz NZDOLXPYWFQKHK-UHFFFAOYSA-N 1 0 395.503 4.171 20 0 GIADRO C[NH+]1CCC(NC(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)CC1 ZINC000124382016 823591955 /nfs/dbraw/zinc/59/19/55/823591955.db2.gz DINROSVNHCEMLG-UHFFFAOYSA-N 1 0 380.517 4.103 20 0 GIADRO CC(C)(C)[C@H](CO)[NH2+]Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1 ZINC000411631127 823592654 /nfs/dbraw/zinc/59/26/54/823592654.db2.gz AAYRDARLZFVNSQ-AWEZNQCLSA-N 1 0 391.924 4.214 20 0 GIADRO C[C@@H]1CC[C@H]([N@H+](CCO)Cc2nc(=O)c3cc(-c4ccccc4)sc3[nH]2)C1 ZINC000411639423 823592972 /nfs/dbraw/zinc/59/29/72/823592972.db2.gz FITYGBUGNVDBNG-ZBFHGGJFSA-N 1 0 383.517 4.047 20 0 GIADRO C[C@H](CCc1ccco1)NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000061351430 823593015 /nfs/dbraw/zinc/59/30/15/823593015.db2.gz MDIKTKWINVZWRB-RTBURBONSA-N 1 0 383.536 4.332 20 0 GIADRO COc1ccc(CCCC(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000061367867 823593643 /nfs/dbraw/zinc/59/36/43/823593643.db2.gz AFUQQVQRQLLITL-UHFFFAOYSA-N 1 0 380.532 4.320 20 0 GIADRO O=C(CC[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1)NCc1ccccc1Cl ZINC000411646538 823593739 /nfs/dbraw/zinc/59/37/39/823593739.db2.gz MHIFTXQASLKGBH-QUCCMNQESA-N 1 0 393.314 4.120 20 0 GIADRO Cc1c([C@H](C)[NH2+]CC2(C)OCCCO2)cnn1-c1ccc(Cl)cc1Cl ZINC000190640094 823594261 /nfs/dbraw/zinc/59/42/61/823594261.db2.gz IRHNDCJPWAXCQN-LBPRGKRZSA-N 1 0 384.307 4.291 20 0 GIADRO CC(C)[N@@H+](Cc1ccc(-c2ncco2)cc1F)C[C@@H](O)COc1ccccc1 ZINC000411653335 823594765 /nfs/dbraw/zinc/59/47/65/823594765.db2.gz ZWLKKAPLPSCKPR-LJQANCHMSA-N 1 0 384.451 4.131 20 0 GIADRO O=C(CC[N@@H+]1CCC[C@H]1c1cc[nH]n1)Nc1ccccc1Oc1ccccc1 ZINC000411657497 823595055 /nfs/dbraw/zinc/59/50/55/823595055.db2.gz UGEKDTANIFZVTF-FQEVSTJZSA-N 1 0 376.460 4.368 20 0 GIADRO CCOC(=O)COc1ccc(C[NH+]2CCC(C(=O)c3ccc(C)cc3)CC2)cc1 ZINC000124426584 823595824 /nfs/dbraw/zinc/59/58/24/823595824.db2.gz WIKKIWIGBYGEHL-UHFFFAOYSA-N 1 0 395.499 4.032 20 0 GIADRO C[C@H](NC(=O)N[C@H]1CCc2sc(Cl)cc21)[C@H](c1ccccc1)[NH+](C)C ZINC000461194394 823596418 /nfs/dbraw/zinc/59/64/18/823596418.db2.gz JEWLWHWVJRHHTK-XLWVJDPXSA-N 1 0 377.941 4.379 20 0 GIADRO Cc1nc(C(C)(C)C)sc1C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000061432994 823597069 /nfs/dbraw/zinc/59/70/69/823597069.db2.gz FUBOPSXRYNFEDT-UHFFFAOYSA-N 1 0 377.529 4.092 20 0 GIADRO CCOC1CC(CCNC(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000190679121 823597648 /nfs/dbraw/zinc/59/76/48/823597648.db2.gz YWCZPAIFILXGIL-UHFFFAOYSA-N 1 0 387.568 4.067 20 0 GIADRO CN1CC[C@@H]([NH2+]CCC(=O)Nc2cc(Cl)ccc2Cl)[C@H]1c1ccccc1 ZINC000411699874 823597860 /nfs/dbraw/zinc/59/78/60/823597860.db2.gz VVBPYEZJBKMLTD-YLJYHZDGSA-N 1 0 392.330 4.357 20 0 GIADRO CN1CC[C@@H]([NH2+]CCC(=O)Nc2cc(Cl)ccc2Cl)[C@@H]1c1ccccc1 ZINC000411699870 823597949 /nfs/dbraw/zinc/59/79/49/823597949.db2.gz VVBPYEZJBKMLTD-XLIONFOSSA-N 1 0 392.330 4.357 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccccc1-n1cccn1)c1ccccc1 ZINC000061449590 823598177 /nfs/dbraw/zinc/59/81/77/823598177.db2.gz POOKREVOBUSUDD-NRFANRHFSA-N 1 0 377.492 4.077 20 0 GIADRO C[C@H]1CC[N@H+](Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CCS1 ZINC000190688076 823598369 /nfs/dbraw/zinc/59/83/69/823598369.db2.gz UKJFRTWEMQYWHM-SFHVURJKSA-N 1 0 378.545 4.321 20 0 GIADRO CCCOc1c(Cl)cc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1OCC ZINC000124469275 823599201 /nfs/dbraw/zinc/59/92/01/823599201.db2.gz QVQQXDKHOFJOGQ-ZBFHGGJFSA-N 1 0 382.932 4.082 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)CCOc2ccccc2-c2ccccc2)CC1 ZINC000461210835 823599430 /nfs/dbraw/zinc/59/94/30/823599430.db2.gz FIYXRXFGIXGYLC-UHFFFAOYSA-N 1 0 380.532 4.361 20 0 GIADRO CC[C@@H](NC(=O)NCCC[NH+]1CCC(C)CC1)c1ccccc1OC(F)F ZINC000061498674 823599831 /nfs/dbraw/zinc/59/98/31/823599831.db2.gz UMCRLDHNCVCTEO-QGZVFWFLSA-N 1 0 383.483 4.160 20 0 GIADRO CCOC(=O)c1ccc(C[NH2+][C@H](c2cccc(OC(F)(F)F)c2)C2CC2)nc1 ZINC000411723511 823599877 /nfs/dbraw/zinc/59/98/77/823599877.db2.gz WWOPPJLQAOIJTE-SFHVURJKSA-N 1 0 394.393 4.398 20 0 GIADRO COc1ccc([C@H](CNC(=O)Nc2ccccc2OC(C)C)[NH+]2CCCC2)cc1 ZINC000061501467 823600069 /nfs/dbraw/zinc/60/00/69/823600069.db2.gz AZTUCWJKPUGJPT-NRFANRHFSA-N 1 0 397.519 4.441 20 0 GIADRO O=C(CCC(=O)c1cccs1)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000061504003 823600394 /nfs/dbraw/zinc/60/03/94/823600394.db2.gz WCDMBJGVMWVXFF-UHFFFAOYSA-N 1 0 384.545 4.403 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)c2oc3ccc(Br)cc3c2C)CC1 ZINC000461217247 823600415 /nfs/dbraw/zinc/60/04/15/823600415.db2.gz MOQCCJNILLCPIA-UHFFFAOYSA-N 1 0 393.325 4.356 20 0 GIADRO CC(C)(CO)[C@H]([NH2+]CCc1nc(-c2ccc(Cl)cc2)no1)c1cccs1 ZINC000411733086 823600779 /nfs/dbraw/zinc/60/07/79/823600779.db2.gz FFTQKNGZCVPLGU-QGZVFWFLSA-N 1 0 391.924 4.343 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N[C@H]1CCSc2ccc(F)cc21 ZINC000061522292 823601203 /nfs/dbraw/zinc/60/12/03/823601203.db2.gz ZLCSWOZSGXLYFD-FQEVSTJZSA-N 1 0 399.535 4.458 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)c2ccccc2OCc2ccccc2C)CC1 ZINC000461225080 823601261 /nfs/dbraw/zinc/60/12/61/823601261.db2.gz VJILKBXITPLFRM-UHFFFAOYSA-N 1 0 380.532 4.426 20 0 GIADRO CCc1nnc(C2CC[NH+](Cc3c(-c4ccccc4)nc4ccccn43)CC2)[nH]1 ZINC000190717453 823601796 /nfs/dbraw/zinc/60/17/96/823601796.db2.gz UTUPHWHVCJRVJD-UHFFFAOYSA-N 1 0 386.503 4.061 20 0 GIADRO CN1CC[C@@H]([NH2+]Cc2ccc(Br)cn2)[C@@H]1c1ccc(Cl)cc1 ZINC000411749958 823602292 /nfs/dbraw/zinc/60/22/92/823602292.db2.gz PUTXEBWVXDNFRE-SJORKVTESA-N 1 0 380.717 4.033 20 0 GIADRO CSc1ccccc1NC(=O)CC[NH2+][C@@H](C)[C@@H]1OCCc2sccc21 ZINC000411756139 823602826 /nfs/dbraw/zinc/60/28/26/823602826.db2.gz IEHRSPGMUZWKHO-DJJJIMSYSA-N 1 0 376.547 4.091 20 0 GIADRO O=C(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)NCCC[NH+]1CCCC1 ZINC000061548091 823602848 /nfs/dbraw/zinc/60/28/48/823602848.db2.gz FONMVPFSUKUJAF-SNAWJCMRSA-N 1 0 394.359 4.340 20 0 GIADRO CCOc1ccccc1NC(=O)CC[NH2+][C@@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000411766029 823603545 /nfs/dbraw/zinc/60/35/45/823603545.db2.gz HNULWNRJHPORTR-INIZCTEOSA-N 1 0 396.466 4.090 20 0 GIADRO Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+]C[C@H]1COc2ccccc2C1 ZINC000061555981 823603624 /nfs/dbraw/zinc/60/36/24/823603624.db2.gz ZKANQYKDJKQBAQ-HNNXBMFYSA-N 1 0 385.870 4.314 20 0 GIADRO O=C(CC[NH+]1CCC(F)(c2ccccn2)CC1)Nc1ccc(Cl)cc1F ZINC000411771009 823603932 /nfs/dbraw/zinc/60/39/32/823603932.db2.gz SZLIYXURGDEXIF-UHFFFAOYSA-N 1 0 379.838 4.164 20 0 GIADRO COc1ccc2oc(C)c(C(=O)NCC3CC[NH+](Cc4cccs4)CC3)c2c1 ZINC000061567653 823604311 /nfs/dbraw/zinc/60/43/11/823604311.db2.gz MIBVWHPLZJMUHT-UHFFFAOYSA-N 1 0 398.528 4.453 20 0 GIADRO CCC[C@@H]1CCc2nc(NC(=O)C3CC[NH+]([C@H]4CCSC4)CC3)sc2C1 ZINC000411782154 823604424 /nfs/dbraw/zinc/60/44/24/823604424.db2.gz DDUUQZDJPVTSTK-ZBFHGGJFSA-N 1 0 393.622 4.204 20 0 GIADRO O=C(NC1CC[NH+](C2CC2)CC1)c1csc(-c2cccc(C(F)(F)F)c2)n1 ZINC000124536824 823604574 /nfs/dbraw/zinc/60/45/74/823604574.db2.gz WGPOQQAENXIJFK-UHFFFAOYSA-N 1 0 395.450 4.186 20 0 GIADRO COc1cccc(NC(=O)CC[N@@H+]2CCCC[C@H]2c2nc3ccccc3[nH]2)c1 ZINC000411786852 823604807 /nfs/dbraw/zinc/60/48/07/823604807.db2.gz DPCGWBWQKHSKKR-FQEVSTJZSA-N 1 0 378.476 4.127 20 0 GIADRO Clc1cccc([C@@H](NC2CC[NH+](Cc3ccncc3)CC2)c2ccccn2)c1 ZINC000124546518 823605255 /nfs/dbraw/zinc/60/52/55/823605255.db2.gz NRXWFWCPEKRIQF-HSZRJFAPSA-N 1 0 392.934 4.474 20 0 GIADRO CCn1cc([C@H](C)[NH2+]CCC(=O)Nc2ccc(OCc3ccccc3)cc2)cn1 ZINC000411795119 823605470 /nfs/dbraw/zinc/60/54/70/823605470.db2.gz DRAQVCGWFBTFNG-SFHVURJKSA-N 1 0 392.503 4.161 20 0 GIADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cc(-c2ccco2)nn1-c1ccccc1 ZINC000461255932 823605947 /nfs/dbraw/zinc/60/59/47/823605947.db2.gz FRUCVSNRIQSRSL-SFHVURJKSA-N 1 0 392.503 4.079 20 0 GIADRO O=C([C@H]1CC=CC[C@H]1c1nc2ccccc2s1)N1CCC[N@@H+](C2CC2)CC1 ZINC000061604865 823606156 /nfs/dbraw/zinc/60/61/56/823606156.db2.gz HXPRPDLJJXDZBI-MSOLQXFVSA-N 1 0 381.545 4.043 20 0 GIADRO CC[NH+](CC)CCOc1ccc(C(=O)N[C@H](C)c2c(F)cccc2OC)cc1 ZINC000461257220 823606222 /nfs/dbraw/zinc/60/62/22/823606222.db2.gz QYBISGXKGYHLNU-MRXNPFEDSA-N 1 0 388.483 4.046 20 0 GIADRO CC(C)C[NH+]1CCC(NC(=O)N(CCC(F)(F)F)Cc2ccccc2)CC1 ZINC000190773666 823607139 /nfs/dbraw/zinc/60/71/39/823607139.db2.gz FTDXXIRRRZDSPZ-UHFFFAOYSA-N 1 0 385.474 4.271 20 0 GIADRO Cc1nn(-c2ccc(C(=O)N(C)CC[C@@H]3CCCC[N@@H+]3C)cc2)c(C)c1Cl ZINC000461260860 823607282 /nfs/dbraw/zinc/60/72/82/823607282.db2.gz FTAUHXSUSFVCOK-SFHVURJKSA-N 1 0 388.943 4.089 20 0 GIADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000461261075 823607289 /nfs/dbraw/zinc/60/72/89/823607289.db2.gz WLXIKZLQWCEUEH-GOSISDBHSA-N 1 0 382.470 4.460 20 0 GIADRO CC1(C)[C@H]([NH2+]CCC(=O)N[C@@H](c2cccs2)c2ccccc2)[C@@H]2CCCO[C@H]21 ZINC000411811801 823607349 /nfs/dbraw/zinc/60/73/49/823607349.db2.gz YXYPKLFHEQQMSL-ZHNGQKSSSA-N 1 0 398.572 4.137 20 0 GIADRO O=C(c1ccc(C2CCCCC2)cc1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000061648535 823607378 /nfs/dbraw/zinc/60/73/78/823607378.db2.gz RBZNFUVZQYDUOF-UHFFFAOYSA-N 1 0 384.564 4.309 20 0 GIADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000461261691 823607452 /nfs/dbraw/zinc/60/74/52/823607452.db2.gz XOEFFFQMMANXNP-UAGQMJEPSA-N 1 0 384.442 4.022 20 0 GIADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000461261690 823607471 /nfs/dbraw/zinc/60/74/71/823607471.db2.gz XOEFFFQMMANXNP-BHYGNILZSA-N 1 0 384.442 4.022 20 0 GIADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1ccc(Oc2ccncc2)c(Cl)c1 ZINC000461261657 823607497 /nfs/dbraw/zinc/60/74/97/823607497.db2.gz XHHINJUFQRKDAP-KRWDZBQOSA-N 1 0 387.911 4.474 20 0 GIADRO C[C@@H](CCCc1cccnc1)[NH2+]Cc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000411821008 823608358 /nfs/dbraw/zinc/60/83/58/823608358.db2.gz NODFCFQLMVSJCS-AWEZNQCLSA-N 1 0 381.549 4.048 20 0 GIADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1ccccc1OCc1ccc(F)cc1 ZINC000461272585 823610273 /nfs/dbraw/zinc/61/02/73/823610273.db2.gz PSDKWHXPSABZNA-HXUWFJFHSA-N 1 0 384.495 4.351 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)Nc2c(F)cc(F)cc2Br)c1 ZINC000190802538 823610682 /nfs/dbraw/zinc/61/06/82/823610682.db2.gz AXUBPCBSUCHLOA-UHFFFAOYSA-N 1 0 398.251 4.111 20 0 GIADRO Cc1nc2ccc(NC(=O)NC[C@@H](c3ccc(C)cc3)[NH+]3CCCC3)cc2o1 ZINC000061749392 823611582 /nfs/dbraw/zinc/61/15/82/823611582.db2.gz JSYVOBGIAQYPKD-FQEVSTJZSA-N 1 0 378.476 4.403 20 0 GIADRO C[C@@H](CNC(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1)C[NH+]1CCCC1 ZINC000124622451 823612000 /nfs/dbraw/zinc/61/20/00/823612000.db2.gz QMSYGNNQUOOPHD-KRWDZBQOSA-N 1 0 395.507 4.184 20 0 GIADRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(C(=O)N(CC)CC)c1)c1ccccc1 ZINC000411884022 823612621 /nfs/dbraw/zinc/61/26/21/823612621.db2.gz OJUJALIBKCHFIL-LAUBAEHRSA-N 1 0 381.520 4.237 20 0 GIADRO COc1ccc(-c2n[nH]cc2C[NH+]2CCC([C@H](O)c3ccccc3)CC2)cc1 ZINC000124630426 823612665 /nfs/dbraw/zinc/61/26/65/823612665.db2.gz DRUCVKSUTRYTOG-HSZRJFAPSA-N 1 0 377.488 4.031 20 0 GIADRO CCOC(=O)c1sc2[nH]c([C@@H](C)[NH2+][C@@H](CC)c3ccccc3)nc(=O)c2c1C ZINC000411887237 823613015 /nfs/dbraw/zinc/61/30/15/823613015.db2.gz NTHZLIKPKILFLW-HIFRSBDPSA-N 1 0 399.516 4.272 20 0 GIADRO Cc1ccc([C@H](CNC(=O)Nc2nnc(C(C)(C)C)s2)[NH+]2CCCC2)cc1 ZINC000061775538 823613382 /nfs/dbraw/zinc/61/33/82/823613382.db2.gz AUZBSSNQVVCXEC-INIZCTEOSA-N 1 0 387.553 4.103 20 0 GIADRO CCOC(=O)c1sc2[nH]c([C@H](C)[NH2+][C@H](CC)c3ccccc3)nc(=O)c2c1C ZINC000411892803 823613504 /nfs/dbraw/zinc/61/35/04/823613504.db2.gz NTHZLIKPKILFLW-DZGCQCFKSA-N 1 0 399.516 4.272 20 0 GIADRO C[N@H+](CC1CCOCC1)Cn1ccn(-c2ccc(Br)cc2)c1=S ZINC000124653106 823614421 /nfs/dbraw/zinc/61/44/21/823614421.db2.gz JWPYDCJKGRGDFL-UHFFFAOYSA-N 1 0 396.354 4.087 20 0 GIADRO Cc1ccsc1CN(C)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000061793205 823614884 /nfs/dbraw/zinc/61/48/84/823614884.db2.gz AXDQRMKHXICUOA-UHFFFAOYSA-N 1 0 389.590 4.312 20 0 GIADRO CC(C)(CNC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)c1ccccc1 ZINC000061793320 823615154 /nfs/dbraw/zinc/61/51/54/823615154.db2.gz GJFBGFJDWKGKSS-UHFFFAOYSA-N 1 0 397.588 4.377 20 0 GIADRO CCCCc1nnc(N2CCC[C@H]([NH+]3CCCC3)CC2)n1Cc1cccs1 ZINC000461311085 823615489 /nfs/dbraw/zinc/61/54/89/823615489.db2.gz HGWJEPCIPZGABQ-SFHVURJKSA-N 1 0 387.597 4.185 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)NCCSCc2ccc(C)cc2)c1 ZINC000061855086 823616196 /nfs/dbraw/zinc/61/61/96/823616196.db2.gz HXLNZEODDABBKQ-UHFFFAOYSA-N 1 0 385.577 4.179 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)NCCOc2ccc3ccccc3c2)c1 ZINC000061856153 823616199 /nfs/dbraw/zinc/61/61/99/823616199.db2.gz NKWSMAFJBDBIOO-UHFFFAOYSA-N 1 0 391.515 4.170 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)N[C@@H]2CCSc3c(F)cccc32)c1 ZINC000061864877 823616589 /nfs/dbraw/zinc/61/65/89/823616589.db2.gz ACBVDJMYVZJCLE-LJQANCHMSA-N 1 0 387.524 4.314 20 0 GIADRO O=C(CC[N@@H+]1C[C@@H](O)C[C@@H]1c1ccccc1)Nc1cc(Cl)ccc1Cl ZINC000411956060 823616666 /nfs/dbraw/zinc/61/66/66/823616666.db2.gz VVPPCEMCTQLHDQ-MAUKXSAKSA-N 1 0 379.287 4.130 20 0 GIADRO CCOc1cccc(CNC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)c1 ZINC000061867980 823616827 /nfs/dbraw/zinc/61/68/27/823616827.db2.gz SLNYMTKPTBGCNE-LJQANCHMSA-N 1 0 395.547 4.459 20 0 GIADRO CO[C@@](C)([C@@H](C)[NH2+]CC(=O)Nc1cc(Cl)c(Cl)cc1Cl)C1CC1 ZINC000411970640 823617247 /nfs/dbraw/zinc/61/72/47/823617247.db2.gz NNLGMLYSDBJOCJ-ABKXIKBNSA-N 1 0 379.715 4.379 20 0 GIADRO COc1ccc([C@@H](C)[N@H+](C)Cc2cccc(C(=O)NCc3ccco3)c2)cc1 ZINC000124692809 823618010 /nfs/dbraw/zinc/61/80/10/823618010.db2.gz PXQJUAARFIYGGI-QGZVFWFLSA-N 1 0 378.472 4.411 20 0 GIADRO CSc1ccccc1OC[C@@H](O)C[N@H+](Cc1nc2ccccc2o1)C(C)C ZINC000411991838 823618711 /nfs/dbraw/zinc/61/87/11/823618711.db2.gz YHCRDKOBMBJKDL-INIZCTEOSA-N 1 0 386.517 4.200 20 0 GIADRO C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000411995210 823619189 /nfs/dbraw/zinc/61/91/89/823619189.db2.gz CILIQVJEZJZXAS-SELNLUPBSA-N 1 0 390.527 4.206 20 0 GIADRO Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000412000907 823620147 /nfs/dbraw/zinc/62/01/47/823620147.db2.gz PHPWBHGRQXFJMF-NFBKMPQASA-N 1 0 392.543 4.196 20 0 GIADRO Cc1csc(C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1Br ZINC000190889846 823620271 /nfs/dbraw/zinc/62/02/71/823620271.db2.gz CIHIQDOGNQPPGP-STQMWFEESA-N 1 0 387.387 4.307 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@@H]2CCC[C@H](C(=O)NC(C)C)C2)cnn1-c1ccc(F)cc1 ZINC000124729923 823621484 /nfs/dbraw/zinc/62/14/84/823621484.db2.gz FYULESGZOWFTHM-VDZJLULYSA-N 1 0 386.515 4.054 20 0 GIADRO C[C@@H](CC[NH2+][C@H](c1ccccc1)C1(CO)CCOCC1)OCc1ccccc1 ZINC000412006263 823621596 /nfs/dbraw/zinc/62/15/96/823621596.db2.gz CTQAQQMQBDUITR-NZQKXSOJSA-N 1 0 383.532 4.102 20 0 GIADRO COc1cc(F)cc(NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000124733197 823621827 /nfs/dbraw/zinc/62/18/27/823621827.db2.gz HPMISMBVLDQCQI-OXJNMPFZSA-N 1 0 385.483 4.351 20 0 GIADRO Nc1ccc(F)c(NC(=O)CC[NH2+][C@H](c2ccccc2)C2(CO)CCCCC2)c1 ZINC000412012081 823622471 /nfs/dbraw/zinc/62/24/71/823622471.db2.gz WNDZWDYPUKIUKR-JOCHJYFZSA-N 1 0 399.510 4.010 20 0 GIADRO OCC1([C@@H]([NH2+]CCCOc2cccc(Cl)c2)c2ccccc2)CCOCC1 ZINC000412014734 823622945 /nfs/dbraw/zinc/62/29/45/823622945.db2.gz YFRIDBNIRNLZLW-NRFANRHFSA-N 1 0 389.923 4.229 20 0 GIADRO C[N@H+](CCCNC(=O)C(=O)Nc1ccc(-c2ccccc2)cc1)C1CCCCC1 ZINC000062127818 823623255 /nfs/dbraw/zinc/62/32/55/823623255.db2.gz CRJULVZTZIVPIK-UHFFFAOYSA-N 1 0 393.531 4.063 20 0 GIADRO COCCN(C)c1ccc(C[NH2+]Cc2ccc(OC3CCCCC3)cc2)cn1 ZINC000190915763 823623808 /nfs/dbraw/zinc/62/38/08/823623808.db2.gz NFDSWGBCHFFOCY-UHFFFAOYSA-N 1 0 383.536 4.166 20 0 GIADRO CCc1ccc([C@@H]2CN(C(=O)c3oc4ccccc4c3C[NH+](C)C)CCO2)cc1 ZINC000190917758 823624199 /nfs/dbraw/zinc/62/41/99/823624199.db2.gz UJXVTQWGRHFZMG-QFIPXVFZSA-N 1 0 392.499 4.271 20 0 GIADRO O=C1CCCN1[C@H]1CCC[N@H+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000412052000 823624341 /nfs/dbraw/zinc/62/43/41/823624341.db2.gz BLTZQTGBDUIVFU-QHCPKHFHSA-N 1 0 392.543 4.270 20 0 GIADRO CCOc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](N4CCCC4=O)CC3)cs2)cc1 ZINC000412060437 823624979 /nfs/dbraw/zinc/62/49/79/823624979.db2.gz ZXOBHNHRSFIPMO-LJQANCHMSA-N 1 0 399.560 4.186 20 0 GIADRO O=C(CCOc1cccc(Cl)c1)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000062230272 823625032 /nfs/dbraw/zinc/62/50/32/823625032.db2.gz AGTIGIGKVKXBHE-LJQANCHMSA-N 1 0 386.923 4.137 20 0 GIADRO O=C(CCc1ccc(Cl)s1)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000062229939 823625126 /nfs/dbraw/zinc/62/51/26/823625126.db2.gz CZJIDSWBROCBCB-QGZVFWFLSA-N 1 0 376.953 4.363 20 0 GIADRO COC(=O)[C@@]1(C)CCC[N@@H+]([C@@H](C)c2nnc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC000412065959 823625345 /nfs/dbraw/zinc/62/53/45/823625345.db2.gz LHBAARTVGNHXGO-VOJFVSQTSA-N 1 0 398.290 4.380 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)c1csc([C@H]2CCCO2)n1 ZINC000124786275 823626081 /nfs/dbraw/zinc/62/60/81/823626081.db2.gz WBDQWFUHKXOLKM-HXUWFJFHSA-N 1 0 399.560 4.301 20 0 GIADRO COc1cc(C[NH2+]C2(c3ccc(F)cc3F)CCOCC2)ccc1OC(F)F ZINC000124787574 823626266 /nfs/dbraw/zinc/62/62/66/823626266.db2.gz XEKSKEPABHOLGF-UHFFFAOYSA-N 1 0 399.384 4.370 20 0 GIADRO COc1cc(OC)cc(Oc2ccc(C[NH2+]C[C@H](C)Cn3ccnc3)cc2)c1 ZINC000062254280 823626700 /nfs/dbraw/zinc/62/67/00/823626700.db2.gz JYBYGILXWZVOJL-KRWDZBQOSA-N 1 0 381.476 4.119 20 0 GIADRO C[C@@H](C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1)Cn1ccnc1 ZINC000062254426 823626751 /nfs/dbraw/zinc/62/67/51/823626751.db2.gz IMTILQBFRRYYQJ-FQEVSTJZSA-N 1 0 385.515 4.221 20 0 GIADRO COc1cccc(C[NH2+]C2CCN(c3nc4ccccc4s3)CC2)c1OC ZINC000062259694 823626878 /nfs/dbraw/zinc/62/68/78/823626878.db2.gz RRNCEDGPNFWDPW-UHFFFAOYSA-N 1 0 383.517 4.072 20 0 GIADRO COc1ccc(OC)c(C[NH2+]C2CCN(c3nc4ccccc4s3)CC2)c1 ZINC000062259695 823626957 /nfs/dbraw/zinc/62/69/57/823626957.db2.gz MNMXSJNXSYHMIG-UHFFFAOYSA-N 1 0 383.517 4.072 20 0 GIADRO C[C@H](CC(F)F)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000412112081 823627154 /nfs/dbraw/zinc/62/71/54/823627154.db2.gz BCMACNONMJJXKB-SUYBPPKGSA-N 1 0 392.412 4.496 20 0 GIADRO CCN(C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000124803127 823627422 /nfs/dbraw/zinc/62/74/22/823627422.db2.gz FNNCDSCBTHYJAR-LSDHHAIUSA-N 1 0 383.458 4.282 20 0 GIADRO CC(C)Oc1ccc([C@H](C)NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000124818171 823628519 /nfs/dbraw/zinc/62/85/19/823628519.db2.gz PZJQZTMIFRYFGI-LRXVAGHRSA-N 1 0 385.552 4.193 20 0 GIADRO Cc1nn(-c2cccc(F)c2)cc1C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000412130389 823628690 /nfs/dbraw/zinc/62/86/90/823628690.db2.gz VJWNGOCMOOMKJC-MJGOQNOKSA-N 1 0 398.526 4.046 20 0 GIADRO C[C@@H](C(=O)Nc1ccccc1CN(C)C(=O)c1cccs1)[NH+]1[C@H](C)CC[C@H]1C ZINC000412130412 823628704 /nfs/dbraw/zinc/62/87/04/823628704.db2.gz PNJRGYGZFXMPKY-ZACQAIPSSA-N 1 0 399.560 4.220 20 0 GIADRO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000461394116 823628965 /nfs/dbraw/zinc/62/89/65/823628965.db2.gz GHGCUHGHDPLDTL-OAHLLOKOSA-N 1 0 378.385 4.247 20 0 GIADRO CC(C)[C@@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)c1ccccc1Cl ZINC000412137117 823629214 /nfs/dbraw/zinc/62/92/14/823629214.db2.gz OLJAUMWDXTUTBK-QFBILLFUSA-N 1 0 380.985 4.371 20 0 GIADRO CCC(CC)(C[NH2+]Cc1cnc2c(c1)c(C)nn2C)c1ccc(OC)c(OC)c1 ZINC000461398284 823629477 /nfs/dbraw/zinc/62/94/77/823629477.db2.gz FXLVPMVOORFBGF-UHFFFAOYSA-N 1 0 396.535 4.142 20 0 GIADRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000062374871 823630728 /nfs/dbraw/zinc/63/07/28/823630728.db2.gz CHQOBAMLYBPYHI-UHFFFAOYSA-N 1 0 381.398 4.023 20 0 GIADRO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000412151059 823630845 /nfs/dbraw/zinc/63/08/45/823630845.db2.gz YIDSSPZUVVRWGQ-FUHWJXTLSA-N 1 0 398.469 4.098 20 0 GIADRO C[C@@H]1CCN(C(=O)C[C@H](c2ccc(O)cc2)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000412155868 823631192 /nfs/dbraw/zinc/63/11/92/823631192.db2.gz KDPVMGMFVPRMKK-DVECYGJZSA-N 1 0 392.543 4.399 20 0 GIADRO C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412160050 823631630 /nfs/dbraw/zinc/63/16/30/823631630.db2.gz IXYBQXSCRPDNKD-WRHNGFHOSA-N 1 0 398.572 4.243 20 0 GIADRO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000412162419 823631853 /nfs/dbraw/zinc/63/18/53/823631853.db2.gz BDOBYHFMAQSDCI-MRXNPFEDSA-N 1 0 399.387 4.096 20 0 GIADRO O=C(N[C@@H](c1cccc(F)c1)C1CCCC1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412181564 823633363 /nfs/dbraw/zinc/63/33/63/823633363.db2.gz IPNOPMYWYJXARF-NHCUHLMSSA-N 1 0 390.568 4.391 20 0 GIADRO O=C(N[C@H](c1cccc(F)c1)C1CCCC1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412181566 823633401 /nfs/dbraw/zinc/63/34/01/823633401.db2.gz IPNOPMYWYJXARF-SFTDATJTSA-N 1 0 390.568 4.391 20 0 GIADRO C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000461423247 823633406 /nfs/dbraw/zinc/63/34/06/823633406.db2.gz KBDPJTASCKTSBJ-LSDHHAIUSA-N 1 0 385.335 4.095 20 0 GIADRO Cc1ccc(-c2cccc(CNC(=O)C3CC[NH+]([C@H]4CCSC4)CC3)c2)cc1 ZINC000412183644 823633639 /nfs/dbraw/zinc/63/36/39/823633639.db2.gz MLRWFCHTEGNBNM-QHCPKHFHSA-N 1 0 394.584 4.496 20 0 GIADRO Cc1ccc(CCC(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c(C)c1 ZINC000461424319 823633675 /nfs/dbraw/zinc/63/36/75/823633675.db2.gz BMNHWTIWVQYJOY-DNQXCXABSA-N 1 0 376.544 4.217 20 0 GIADRO O=C(c1cccc(C[NH+]2CCCCC2)c1)N(Cc1ccco1)C[C@@H]1CCCO1 ZINC000412184669 823633771 /nfs/dbraw/zinc/63/37/71/823633771.db2.gz KNFASLPPJWTJEJ-QFIPXVFZSA-N 1 0 382.504 4.087 20 0 GIADRO CN1CCCc2cc(NC(=O)NC3CC[NH+](CC4CCCCC4)CC3)ccc21 ZINC000062411635 823633909 /nfs/dbraw/zinc/63/39/09/823633909.db2.gz ZTQCPOAVUJGAAG-UHFFFAOYSA-N 1 0 384.568 4.235 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1ccc(OC(F)F)cc1OC(F)F ZINC000124886634 823633917 /nfs/dbraw/zinc/63/39/17/823633917.db2.gz HVZFKLZBOFIDQD-BONVTDFDSA-N 1 0 391.336 4.413 20 0 GIADRO CO[C@]1(C[NH2+]Cc2ccc(-c3cccc(Br)c3)s2)CCOC1 ZINC000461426841 823634336 /nfs/dbraw/zinc/63/43/36/823634336.db2.gz KSENVIORTJOKSG-KRWDZBQOSA-N 1 0 382.323 4.073 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(OC2CCCC2)c1)c1cccc(NS(C)(=O)=O)c1 ZINC000062421018 823634690 /nfs/dbraw/zinc/63/46/90/823634690.db2.gz DWGJWUFKGGBGKM-INIZCTEOSA-N 1 0 388.533 4.230 20 0 GIADRO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]C[C@@H](c1ccc(C)cc1)N(C)C ZINC000062423270 823634770 /nfs/dbraw/zinc/63/47/70/823634770.db2.gz ARCMJSKGWUEMEJ-QHCPKHFHSA-N 1 0 398.501 4.468 20 0 GIADRO O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N1CCCC[C@H]1c1ccc(F)cc1F ZINC000412199404 823634960 /nfs/dbraw/zinc/63/49/60/823634960.db2.gz OOQRAVADMIUOCM-PXNSSMCTSA-N 1 0 394.531 4.236 20 0 GIADRO CCOc1c(Cl)cc(C[NH2+]C[C@@H](c2ccc(C)cc2)N(C)C)cc1OC ZINC000062423376 823635052 /nfs/dbraw/zinc/63/50/52/823635052.db2.gz LWYGOOFVQNJVHY-IBGZPJMESA-N 1 0 376.928 4.448 20 0 GIADRO Cc1cc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)nc2ccccc12 ZINC000461429879 823635096 /nfs/dbraw/zinc/63/50/96/823635096.db2.gz PDLXNLDDKIVXQK-LEWJYISDSA-N 1 0 385.511 4.137 20 0 GIADRO Cc1cc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)nc2ccccc12 ZINC000461429881 823635138 /nfs/dbraw/zinc/63/51/38/823635138.db2.gz PDLXNLDDKIVXQK-NHCUHLMSSA-N 1 0 385.511 4.137 20 0 GIADRO O=C(Cc1cccc(Cl)c1F)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461431170 823635503 /nfs/dbraw/zinc/63/55/03/823635503.db2.gz QWAPBHQBTHIDKP-MOPGFXCFSA-N 1 0 386.898 4.002 20 0 GIADRO CC1CC[NH+](C2CCC(NC(=O)[C@@H]3CC(C)(C)Oc4ccccc43)CC2)CC1 ZINC000412207052 823635656 /nfs/dbraw/zinc/63/56/56/823635656.db2.gz MWGWKDBFVRHBCP-GZNCHQMQSA-N 1 0 384.564 4.491 20 0 GIADRO CC(C)(C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)c1ccccc1F ZINC000461431941 823635893 /nfs/dbraw/zinc/63/58/93/823635893.db2.gz NRJIXGKSSAJYLY-UXHICEINSA-N 1 0 380.507 4.084 20 0 GIADRO COc1ccc(F)c(C(=O)Nc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)c1OC ZINC000190992428 823635992 /nfs/dbraw/zinc/63/59/92/823635992.db2.gz WKNCNRUBGWFASF-OAHLLOKOSA-N 1 0 386.467 4.470 20 0 GIADRO O=C([C@H](Oc1ccccc1)c1ccccc1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000461432727 823636123 /nfs/dbraw/zinc/63/61/23/823636123.db2.gz VGQSAXXVKCVPNC-NZQKXSOJSA-N 1 0 378.516 4.141 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H](C(=O)NC(C)C)C2)cc1OCC ZINC000124910586 823636207 /nfs/dbraw/zinc/63/62/07/823636207.db2.gz JMWDGIONPPFLFN-WDSOQIARSA-N 1 0 376.541 4.218 20 0 GIADRO O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N1CCCC[C@H]1CCc1ccccc1 ZINC000412215137 823636452 /nfs/dbraw/zinc/63/64/52/823636452.db2.gz HAFHQMJKSOAFGN-VXKWHMMOSA-N 1 0 386.605 4.218 20 0 GIADRO O=C(c1ccn(Cc2ccccc2)c1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461434017 823636392 /nfs/dbraw/zinc/63/63/92/823636392.db2.gz XTLZRXGVAGVWSB-NOZRDPDXSA-N 1 0 399.538 4.131 20 0 GIADRO CC[C@H](C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)c1ccc(OC)cc1 ZINC000461434419 823636672 /nfs/dbraw/zinc/63/66/72/823636672.db2.gz YWHQWNHYXBJBGQ-AKFKNWHVSA-N 1 0 392.543 4.169 20 0 GIADRO Cc1ccc2nc(C)c(C(=O)N3C[C@@H]4C[N@@H+](Cc5ccccc5)CC[C@@H]4C3)cc2c1 ZINC000461435706 823636812 /nfs/dbraw/zinc/63/68/12/823636812.db2.gz KDDCDHGVGUQOGZ-GGAORHGYSA-N 1 0 399.538 4.446 20 0 GIADRO C[C@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)c1ccc(F)c(F)c1 ZINC000461436014 823636935 /nfs/dbraw/zinc/63/69/35/823636935.db2.gz MNBXWYOCKZZJLZ-DBVUQKKJSA-N 1 0 384.470 4.049 20 0 GIADRO Cc1oc2ccccc2c1CC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461436067 823637002 /nfs/dbraw/zinc/63/70/02/823637002.db2.gz MYAFSDIUSXREGJ-SFTDATJTSA-N 1 0 388.511 4.264 20 0 GIADRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1)c1ccccc1Cl ZINC000062474674 823637089 /nfs/dbraw/zinc/63/70/89/823637089.db2.gz XYFVALVOESYIFZ-OAHLLOKOSA-N 1 0 377.891 4.314 20 0 GIADRO O=C(c1ccc(Sc2ccccn2)cc1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000461436975 823637226 /nfs/dbraw/zinc/63/72/26/823637226.db2.gz FOHSKQNYISGRLF-GOSISDBHSA-N 1 0 381.545 4.181 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000062476417 823637257 /nfs/dbraw/zinc/63/72/57/823637257.db2.gz BNCQTWXQXMQZFK-OIRDZHBESA-N 1 0 381.564 4.393 20 0 GIADRO C/C(=C\c1ccc(Cl)cc1)C[NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1 ZINC000461437898 823637254 /nfs/dbraw/zinc/63/72/54/823637254.db2.gz JMXULAKAHLZNBF-DTQAZKPQSA-N 1 0 390.936 4.073 20 0 GIADRO C[C@@H]1CCc2[nH]c3ccc(C(=O)N4CC[C@H](C[NH+]5CCCCC5)C4)cc3c2C1 ZINC000461437526 823637354 /nfs/dbraw/zinc/63/73/54/823637354.db2.gz HRUZBKQFWAKZGA-QZTJIDSGSA-N 1 0 379.548 4.241 20 0 GIADRO C[C@H]1CCc2[nH]c3ccc(C(=O)N4CC[C@@H](C[NH+]5CCCCC5)C4)cc3c2C1 ZINC000461437528 823637397 /nfs/dbraw/zinc/63/73/97/823637397.db2.gz HRUZBKQFWAKZGA-ROUUACIJSA-N 1 0 379.548 4.241 20 0 GIADRO O=C(c1ccccc1CCc1ccccc1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000461439430 823637662 /nfs/dbraw/zinc/63/76/62/823637662.db2.gz RINUZBKWZDWOAU-QFIPXVFZSA-N 1 0 376.544 4.420 20 0 GIADRO CSCc1ccc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000461439328 823637726 /nfs/dbraw/zinc/63/77/26/823637726.db2.gz QTZRXPQQKXSVSP-VXKWHMMOSA-N 1 0 380.557 4.144 20 0 GIADRO CC[C@H](C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)c1ccc(F)cc1 ZINC000461440174 823637929 /nfs/dbraw/zinc/63/79/29/823637929.db2.gz AOJNSPJTLTZFBM-XPNTWCBSSA-N 1 0 380.507 4.300 20 0 GIADRO Cc1ccccc1OCCCC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461441775 823638202 /nfs/dbraw/zinc/63/82/02/823638202.db2.gz GJODUDYJCUCBPK-GOTSBHOMSA-N 1 0 392.543 4.135 20 0 GIADRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)N[C@H]1CCSc2ccccc21 ZINC000062486912 823638402 /nfs/dbraw/zinc/63/84/02/823638402.db2.gz BLWTUEHIVGWMQN-IBGZPJMESA-N 1 0 387.524 4.136 20 0 GIADRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)NCc1csc2ccccc12 ZINC000062486801 823638412 /nfs/dbraw/zinc/63/84/12/823638412.db2.gz ADMZYHZKSMBAPZ-UHFFFAOYSA-N 1 0 385.508 4.314 20 0 GIADRO O=C(CCCOc1cccc2ccccc21)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000461442197 823638432 /nfs/dbraw/zinc/63/84/32/823638432.db2.gz HRJSPMFKWJDZIO-FQEVSTJZSA-N 1 0 380.532 4.333 20 0 GIADRO O=C([C@H]1C[C@@]1(F)c1ccccc1)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000412236538 823638458 /nfs/dbraw/zinc/63/84/58/823638458.db2.gz SXGMKKQONDLZAT-RCZVLFRGSA-N 1 0 392.518 4.386 20 0 GIADRO O=C(NC1CCC(c2ccc(F)cc2)CC1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412238497 823638667 /nfs/dbraw/zinc/63/86/67/823638667.db2.gz AHQOJWYLHQVRRQ-FBPXKMNZSA-N 1 0 390.568 4.186 20 0 GIADRO Cc1ccc([C@@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)s1 ZINC000062499904 823638732 /nfs/dbraw/zinc/63/87/32/823638732.db2.gz MDYCXONIJYOEES-CQSZACIVSA-N 1 0 381.492 4.169 20 0 GIADRO O=C(COc1ccc(Cl)c2ccccc12)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000461443956 823638828 /nfs/dbraw/zinc/63/88/28/823638828.db2.gz PCFIRZJRXMVHKQ-KRWDZBQOSA-N 1 0 386.923 4.206 20 0 GIADRO O=C(COc1ccc(Oc2ccccc2)cc1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000461444643 823639055 /nfs/dbraw/zinc/63/90/55/823639055.db2.gz QECNJXYQLHNROL-HXUWFJFHSA-N 1 0 394.515 4.192 20 0 GIADRO CC[C@@H](CC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(OC)cc1 ZINC000124943670 823639331 /nfs/dbraw/zinc/63/93/31/823639331.db2.gz COUBIZKWFIKDJI-VXKWHMMOSA-N 1 0 394.559 4.260 20 0 GIADRO O=C(c1cccc(C[NH+]2CCCCC2)c1)N1CC[C@H](n2ncc3ccccc32)C1 ZINC000412245977 823639339 /nfs/dbraw/zinc/63/93/39/823639339.db2.gz OHMDXEWJMSPCJK-QFIPXVFZSA-N 1 0 388.515 4.109 20 0 GIADRO C[C@]1(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)CCc2ccccc2C1 ZINC000461446711 823639458 /nfs/dbraw/zinc/63/94/58/823639458.db2.gz DXQWVXUARZUFLH-MZKUHISZSA-N 1 0 388.555 4.162 20 0 GIADRO Cc1ccc(C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)c2ccccc12 ZINC000412246880 823639597 /nfs/dbraw/zinc/63/95/97/823639597.db2.gz IXXKZKJXSNBMPH-UHFFFAOYSA-N 1 0 380.532 4.113 20 0 GIADRO O=C(C[C@H]1CCCN1C(=O)c1cccc(C[NH+]2CCCC2)c1)c1ccc(F)cc1 ZINC000124950762 823639816 /nfs/dbraw/zinc/63/98/16/823639816.db2.gz WDADCWGZLDPFEI-JOCHJYFZSA-N 1 0 394.490 4.299 20 0 GIADRO COc1ccc2c(c1)C1(CC1)CN(C(=O)c1oc3ccccc3c1C[NH+](C)C)C2 ZINC000461448747 823639846 /nfs/dbraw/zinc/63/98/46/823639846.db2.gz OPSSENQYPPNFOO-UHFFFAOYSA-N 1 0 390.483 4.191 20 0 GIADRO Cc1ccccc1[C@H](C)CC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461450258 823640134 /nfs/dbraw/zinc/64/01/34/823640134.db2.gz PKAYBKSUTUNFRA-AKIFATBCSA-N 1 0 376.544 4.469 20 0 GIADRO Cc1ccc2oc(C(=O)NC3CC[NH+](CCOc4ccc(F)cc4)CC3)cc2c1 ZINC000461450170 823640159 /nfs/dbraw/zinc/64/01/59/823640159.db2.gz WBPTZIMMSYHWEW-UHFFFAOYSA-N 1 0 396.462 4.154 20 0 GIADRO Cc1ccccc1[C@H](C)CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461450259 823640217 /nfs/dbraw/zinc/64/02/17/823640217.db2.gz PKAYBKSUTUNFRA-MZYLBHOOSA-N 1 0 376.544 4.469 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2OC(F)(F)F)c1 ZINC000124955945 823640263 /nfs/dbraw/zinc/64/02/63/823640263.db2.gz CIXJMXBIVFEXKD-DLBZAZTESA-N 1 0 378.394 4.389 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)[C@H]2C[C@H]2c2ccccc2OC(F)(F)F)c1 ZINC000124956184 823640311 /nfs/dbraw/zinc/64/03/11/823640311.db2.gz CIXJMXBIVFEXKD-IRXDYDNUSA-N 1 0 378.394 4.389 20 0 GIADRO C[C@H](NC(=O)C[C@H](c1ccc(O)cc1)C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000412256414 823640353 /nfs/dbraw/zinc/64/03/53/823640353.db2.gz QXYICULVFRSXEB-ANJVHQHFSA-N 1 0 392.543 4.303 20 0 GIADRO CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412257300 823640544 /nfs/dbraw/zinc/64/05/44/823640544.db2.gz WSKUAYHCYDKQTQ-JAXLGGSGSA-N 1 0 386.605 4.280 20 0 GIADRO O=C(CCc1cnc2ccccc2c1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461451820 823640594 /nfs/dbraw/zinc/64/05/94/823640594.db2.gz UAIXCMCQLYUMTJ-BJKOFHAPSA-N 1 0 399.538 4.148 20 0 GIADRO CCOc1ccc(Oc2cc(C[NH2+]C3CCN(CC(F)F)CC3)ccn2)cc1 ZINC000124960784 823640810 /nfs/dbraw/zinc/64/08/10/823640810.db2.gz NFKOTAICTHVSJV-UHFFFAOYSA-N 1 0 391.462 4.092 20 0 GIADRO CCOc1ccc(CC(=O)N2CCC(c3ccccc3)([NH+]3CCCC3)CC2)cc1 ZINC000062554726 823640988 /nfs/dbraw/zinc/64/09/88/823640988.db2.gz TWSWKLNXZBURIO-UHFFFAOYSA-N 1 0 392.543 4.242 20 0 GIADRO O=C(Nc1ccc2cccc(Cl)c2n1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412260841 823641068 /nfs/dbraw/zinc/64/10/68/823641068.db2.gz WMMSTDQSSGSCNF-HNNXBMFYSA-N 1 0 375.925 4.044 20 0 GIADRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N2CC3(CCOCC3)c3ccccc32)C1 ZINC000191037089 823641063 /nfs/dbraw/zinc/64/10/63/823641063.db2.gz GKCDERABZGMSJS-PMACEKPBSA-N 1 0 399.579 4.023 20 0 GIADRO O=C(c1sccc1-n1cccc1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461455076 823641126 /nfs/dbraw/zinc/64/11/26/823641126.db2.gz KDDYGVAXRXCPJF-VQTJNVASSA-N 1 0 391.540 4.133 20 0 GIADRO Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c(F)c1Cl ZINC000461455599 823641288 /nfs/dbraw/zinc/64/12/88/823641288.db2.gz LSUBKSFGSVNYJH-MSOLQXFVSA-N 1 0 386.898 4.382 20 0 GIADRO O=C(c1cccc(C(F)(F)F)c1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461457672 823641705 /nfs/dbraw/zinc/64/17/05/823641705.db2.gz QRCALZCOVKVHPB-MOPGFXCFSA-N 1 0 388.433 4.300 20 0 GIADRO C[NH+](C)CCn1ccc2ccc(NC(=O)CCOc3ccc(Cl)cc3)cc21 ZINC000461459927 823642041 /nfs/dbraw/zinc/64/20/41/823642041.db2.gz HZPJBZQXMYAEQC-UHFFFAOYSA-N 1 0 385.895 4.264 20 0 GIADRO O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N1CCc2c1cccc2-c1ccccc1 ZINC000412278574 823642456 /nfs/dbraw/zinc/64/24/56/823642456.db2.gz XFAVSNJBLORQRR-FQEVSTJZSA-N 1 0 392.568 4.460 20 0 GIADRO COc1ccc(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c(OC(F)F)c1 ZINC000191050643 823642558 /nfs/dbraw/zinc/64/25/58/823642558.db2.gz ZIIBAQCVZWFIDB-INIZCTEOSA-N 1 0 396.478 4.025 20 0 GIADRO O=C(Cc1ccc(O)cc1Cl)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000461464465 823642767 /nfs/dbraw/zinc/64/27/67/823642767.db2.gz BAJKJICKKXRCBX-GOSISDBHSA-N 1 0 386.923 4.007 20 0 GIADRO C[C@H](CNC(=O)N(CCc1ccccc1)Cc1cccnc1)[N@@H+]1CCCC[C@@H]1C ZINC000062646740 823643104 /nfs/dbraw/zinc/64/31/04/823643104.db2.gz KYKDTHWYXFYLNE-LEWJYISDSA-N 1 0 394.563 4.099 20 0 GIADRO C[N@@H+]1CCC[C@H](NC(=O)NCCCN2c3ccccc3Sc3ccccc32)C1 ZINC000062647094 823643230 /nfs/dbraw/zinc/64/32/30/823643230.db2.gz DQLJUUXGGXVXRG-KRWDZBQOSA-N 1 0 396.560 4.073 20 0 GIADRO CSc1ccccc1NC(=O)CC[NH+]1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC000124993088 823643330 /nfs/dbraw/zinc/64/33/30/823643330.db2.gz FJJLUZVRCCVFOS-UHFFFAOYSA-N 1 0 398.528 4.038 20 0 GIADRO O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1coc(C2CCCC2)n1 ZINC000461469094 823643552 /nfs/dbraw/zinc/64/35/52/823643552.db2.gz URRCGPGMZIMICL-LJQANCHMSA-N 1 0 381.520 4.364 20 0 GIADRO Cc1ccc([C@@H](C[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)N2CCCC2)cc1 ZINC000125005562 823644319 /nfs/dbraw/zinc/64/43/19/823644319.db2.gz CRLIIHXUSYJMTH-WMZHIEFXSA-N 1 0 393.531 4.439 20 0 GIADRO CCc1ccccc1NC(=S)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000062700129 823644914 /nfs/dbraw/zinc/64/49/14/823644914.db2.gz MSABQPIBYMTCRY-UHFFFAOYSA-N 1 0 397.588 4.456 20 0 GIADRO C[NH+]1CCC(NC(=S)N[C@@H](Cc2ccccc2Cl)c2ccccc2)CC1 ZINC000062699851 823644940 /nfs/dbraw/zinc/64/49/40/823644940.db2.gz JUCHPYSHNMZFTM-FQEVSTJZSA-N 1 0 387.980 4.182 20 0 GIADRO O=C(c1cc(-c2ccc(Cl)s2)on1)N1CCC[N@H+](CC2CCC2)CC1 ZINC000412307459 823645089 /nfs/dbraw/zinc/64/50/89/823645089.db2.gz HSZSBFDBFCWYJA-UHFFFAOYSA-N 1 0 379.913 4.005 20 0 GIADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1nnc(CC(C)(C)C)n1Cc1cccs1 ZINC000461479971 823645188 /nfs/dbraw/zinc/64/51/88/823645188.db2.gz CXWPVPZPRMNVHE-SJORKVTESA-N 1 0 387.597 4.040 20 0 GIADRO COc1cc(Cl)c(F)c(C(=O)Nc2cccc3c2OCC[C@H]3[NH+](C)C)c1 ZINC000412315229 823645788 /nfs/dbraw/zinc/64/57/88/823645788.db2.gz XUZAUNFWVTYQOC-MRXNPFEDSA-N 1 0 378.831 4.125 20 0 GIADRO COc1ccc(OC)c([C@H](O)C[NH2+][C@@H](C)c2sc(C(C)(C)C)nc2C)c1 ZINC000125023033 823645812 /nfs/dbraw/zinc/64/58/12/823645812.db2.gz FMRBZYWLQFUVQW-BLLLJJGKSA-N 1 0 378.538 4.150 20 0 GIADRO O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412315269 823645827 /nfs/dbraw/zinc/64/58/27/823645827.db2.gz TYHMGFGBZGYDOP-QILLFSRXSA-N 1 0 399.387 4.183 20 0 GIADRO O=C(c1cc2ccccc2n1CC(F)(F)F)N1CCC[N@H+](CC2CCC2)CC1 ZINC000412319284 823646004 /nfs/dbraw/zinc/64/60/04/823646004.db2.gz STIIXPLPNMFNRG-UHFFFAOYSA-N 1 0 393.453 4.152 20 0 GIADRO C[C@]1(c2ccccc2)CCCN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC1 ZINC000412329022 823646917 /nfs/dbraw/zinc/64/69/17/823646917.db2.gz DIABEUPGJCTSAW-GGAORHGYSA-N 1 0 386.605 4.174 20 0 GIADRO C[C@@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)c1ccc(F)c2ccccc21 ZINC000412336436 823647871 /nfs/dbraw/zinc/64/78/71/823647871.db2.gz JEUOPVYPXMHVQR-WBVHZDCISA-N 1 0 386.536 4.374 20 0 GIADRO C[C@H](CNC(=O)N1CCC(CC[NH+](C)C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000191098711 823648794 /nfs/dbraw/zinc/64/87/94/823648794.db2.gz FWOCOFJSXCRPEY-OAHLLOKOSA-N 1 0 385.474 4.182 20 0 GIADRO CCCOc1ccc(NC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000125062346 823649201 /nfs/dbraw/zinc/64/92/01/823649201.db2.gz VKXINDIAIXBIJR-UHFFFAOYSA-N 1 0 382.508 4.251 20 0 GIADRO COc1ccc(OC)c([C@H](O)C[NH2+][C@H](C)c2cccc(-c3ccncc3)c2)c1 ZINC000125065864 823649467 /nfs/dbraw/zinc/64/94/67/823649467.db2.gz ZMBFARBKBDEVFI-OPAMFIHVSA-N 1 0 378.472 4.150 20 0 GIADRO O=C([C@@H]1C[C@]1(F)c1ccccc1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000412363972 823649985 /nfs/dbraw/zinc/64/99/85/823649985.db2.gz PHXCOLCNNKMNEU-DHLKQENFSA-N 1 0 392.518 4.386 20 0 GIADRO COc1ccc2oc(C(=O)NCC3CC[NH+](Cc4ccccc4)CC3)c(C)c2c1 ZINC000063080878 823650534 /nfs/dbraw/zinc/65/05/34/823650534.db2.gz FYNARJOZQYQCOK-UHFFFAOYSA-N 1 0 392.499 4.392 20 0 GIADRO O=C(CCSc1ccccc1F)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000063080743 823650542 /nfs/dbraw/zinc/65/05/42/823650542.db2.gz CGAGPMFCMWXRES-UHFFFAOYSA-N 1 0 386.536 4.336 20 0 GIADRO Cc1cc(Cl)ccc1OCC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000063081421 823650669 /nfs/dbraw/zinc/65/06/69/823650669.db2.gz RSBIYVIEKUSDIL-UHFFFAOYSA-N 1 0 386.923 4.056 20 0 GIADRO O=C(NCc1cccc(C(F)(F)F)n1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412376379 823650786 /nfs/dbraw/zinc/65/07/86/823650786.db2.gz QOYFNFRCMUVJFJ-UHFFFAOYSA-N 1 0 377.410 4.016 20 0 GIADRO COc1cccc([C@H](C[NH2+][C@H](C)c2cnn(C(C)(C)C)c2C)N2CCCC2)c1 ZINC000191117414 823650942 /nfs/dbraw/zinc/65/09/42/823650942.db2.gz JHWMVUBVIUTBSV-VGSWGCGISA-N 1 0 384.568 4.443 20 0 GIADRO COc1cccc([C@@H](C[NH2+][C@H](C)c2cnn(C(C)(C)C)c2C)N2CCCC2)c1 ZINC000191117441 823650959 /nfs/dbraw/zinc/65/09/59/823650959.db2.gz JHWMVUBVIUTBSV-VGOFRKELSA-N 1 0 384.568 4.443 20 0 GIADRO COc1ccc([C@H](C[NH2+][C@H](C)c2cnn(C(C)(C)C)c2C)N2CCCC2)cc1 ZINC000191121312 823651424 /nfs/dbraw/zinc/65/14/24/823651424.db2.gz VGGOZZSBWQYOMY-VGSWGCGISA-N 1 0 384.568 4.443 20 0 GIADRO C[C@H]1CN(C(=O)C[C@H](c2ccc(O)cc2)C2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000412385627 823651514 /nfs/dbraw/zinc/65/15/14/823651514.db2.gz WYBPZECVRBYFHV-DVECYGJZSA-N 1 0 392.543 4.256 20 0 GIADRO C[C@H]1CN(C(=O)C[C@@H](c2ccc(O)cc2)C2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000412385628 823651528 /nfs/dbraw/zinc/65/15/28/823651528.db2.gz WYBPZECVRBYFHV-NTKDMRAZSA-N 1 0 392.543 4.256 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)c1cnc(C(C)(C)C)s1 ZINC000063094018 823651568 /nfs/dbraw/zinc/65/15/68/823651568.db2.gz BUHWAPGPMBHJOK-UHFFFAOYSA-N 1 0 389.565 4.091 20 0 GIADRO C[C@H](SCc1cccc(Cl)c1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000063128701 823652388 /nfs/dbraw/zinc/65/23/88/823652388.db2.gz XWRGZEILNCHYDZ-JXFKEZNVSA-N 1 0 388.964 4.352 20 0 GIADRO CCCN(Cc1ccccc1)C(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000063143692 823652514 /nfs/dbraw/zinc/65/25/14/823652514.db2.gz RHHHEKYZXXZOJV-UHFFFAOYSA-N 1 0 381.589 4.438 20 0 GIADRO S=C(NCCSCc1ccccc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000063144981 823652809 /nfs/dbraw/zinc/65/28/09/823652809.db2.gz OUSZRWULTHXSML-UHFFFAOYSA-N 1 0 399.629 4.049 20 0 GIADRO CC[C@@H](NC(=S)NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(OC)cc1 ZINC000063144712 823652817 /nfs/dbraw/zinc/65/28/17/823652817.db2.gz KJUXDYJZOQGHLH-JOCHJYFZSA-N 1 0 397.588 4.275 20 0 GIADRO Cc1c([C@H](C)[NH2+]C[C@H](c2ccccc2Cl)N2CCOCC2)cnn1C(C)C ZINC000191144247 823653438 /nfs/dbraw/zinc/65/34/38/823653438.db2.gz DUPJZXZLARDNHM-HRAATJIYSA-N 1 0 390.959 4.150 20 0 GIADRO Cc1cc(F)ccc1[C@@H]1CCCN1C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412401749 823653505 /nfs/dbraw/zinc/65/35/05/823653505.db2.gz HUHJTWDNUXKHKU-QUCCMNQESA-N 1 0 376.541 4.015 20 0 GIADRO CCN(C(C)=O)c1nc(C[NH2+]C[C@H](C)c2ccc(C(F)(F)F)cc2)cs1 ZINC000191155375 823654364 /nfs/dbraw/zinc/65/43/64/823654364.db2.gz AHMSWGUZGSYOBC-LBPRGKRZSA-N 1 0 385.455 4.428 20 0 GIADRO S=C(NCC1CC[NH+](Cc2ccccc2)CC1)Nc1ccc2c(c1)CCC2 ZINC000063179652 823654454 /nfs/dbraw/zinc/65/44/54/823654454.db2.gz VFKQGXIXTACNLK-UHFFFAOYSA-N 1 0 379.573 4.374 20 0 GIADRO S=C(NCCSc1ccccc1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000063179605 823654527 /nfs/dbraw/zinc/65/45/27/823654527.db2.gz HZGWUFDSHQOSGD-UHFFFAOYSA-N 1 0 399.629 4.155 20 0 GIADRO CC[NH+](CC)CCS[C@@H](C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000461531412 823654881 /nfs/dbraw/zinc/65/48/81/823654881.db2.gz GYDDONBGHXGAEG-LBPRGKRZSA-N 1 0 399.532 4.490 20 0 GIADRO COc1ccc(-c2nc(Cc3noc([C@H](C)[NH+]4[C@@H](C)CC[C@@H]4C)n3)co2)cc1 ZINC000191162749 823655116 /nfs/dbraw/zinc/65/51/16/823655116.db2.gz TVHQQQUOXWYILJ-KKUMJFAQSA-N 1 0 382.464 4.258 20 0 GIADRO CC(C)[NH+]1CCC(C(=O)N2CC(Cc3ccccc3)(c3ccccc3)C2)CC1 ZINC000412462239 823656644 /nfs/dbraw/zinc/65/66/44/823656644.db2.gz KQDFWNPDLJCSOZ-UHFFFAOYSA-N 1 0 376.544 4.130 20 0 GIADRO CN(CC[N@H+](C)C1CCCCC1)c1nc(-c2ccncc2)nc2ccccc21 ZINC000063248167 823656784 /nfs/dbraw/zinc/65/67/84/823656784.db2.gz BHLYMOQOACAEFS-UHFFFAOYSA-N 1 0 375.520 4.393 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)C(C)(C)c3ccccc3)CC2)cc1 ZINC000063263142 823658083 /nfs/dbraw/zinc/65/80/83/823658083.db2.gz YNFNOXYSSBFGCU-UHFFFAOYSA-N 1 0 380.532 4.001 20 0 GIADRO Cc1c([C@H](C)[NH2+]Cc2cccc(NC(=O)c3ccncc3)c2)cnn1C(C)(C)C ZINC000191195047 823658280 /nfs/dbraw/zinc/65/82/80/823658280.db2.gz DAUMTFJZGGQSGU-INIZCTEOSA-N 1 0 391.519 4.445 20 0 GIADRO C[C@@H]([NH2+]C1CCN([C@@H](C)c2ccccc2)CC1)c1ccc(-n2cncn2)cc1 ZINC000125195858 823658436 /nfs/dbraw/zinc/65/84/36/823658436.db2.gz NPRKQSRCJLRDTB-MOPGFXCFSA-N 1 0 375.520 4.144 20 0 GIADRO CCCOc1ccc(NC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000125206081 823659224 /nfs/dbraw/zinc/65/92/24/823659224.db2.gz NKOJCNVJJBGITG-HXUWFJFHSA-N 1 0 381.520 4.461 20 0 GIADRO CCC[C@@H]([NH2+]Cc1ccc(CS(=O)(=O)NC(C)C)cc1)c1ccsc1 ZINC000191219979 823660319 /nfs/dbraw/zinc/66/03/19/823660319.db2.gz YGWINWVQERJSCJ-LJQANCHMSA-N 1 0 380.579 4.207 20 0 GIADRO CCC[C@@H]([NH2+]Cc1ccccc1S(=O)(=O)NC(C)(C)C)c1ccsc1 ZINC000191222375 823660559 /nfs/dbraw/zinc/66/05/59/823660559.db2.gz VJTCDVUEPGUDGL-QGZVFWFLSA-N 1 0 380.579 4.456 20 0 GIADRO Cn1nc(C(F)F)c2cc(C(=O)Nc3ccc(C[NH+](C)C)cc3F)sc21 ZINC000412542740 823660598 /nfs/dbraw/zinc/66/05/98/823660598.db2.gz ACDMEZIAXLQVKE-UHFFFAOYSA-N 1 0 382.411 4.025 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)Nc2cccc([C@H](C)C(=O)OC)c2)cc1)C(C)C ZINC000412553586 823661574 /nfs/dbraw/zinc/66/15/74/823661574.db2.gz WNTWMFTZMFFKQA-KRWDZBQOSA-N 1 0 382.504 4.446 20 0 GIADRO Cc1cccn2cc(COc3ccc(C[NH2+]CCN4CCCC[C@H]4C)cc3)nc12 ZINC000063313260 823661881 /nfs/dbraw/zinc/66/18/81/823661881.db2.gz INGJSOINPDKCMP-HXUWFJFHSA-N 1 0 392.547 4.186 20 0 GIADRO Cc1cccn2cc(COc3ccc(CNCCC[N@@H+](C)C(C)C)cc3)nc12 ZINC000063313107 823661996 /nfs/dbraw/zinc/66/19/96/823661996.db2.gz JHRYZQIIFOKVHU-UHFFFAOYSA-N 1 0 380.536 4.042 20 0 GIADRO Cc1noc(C)c1[C@H](C)CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000125246807 823662105 /nfs/dbraw/zinc/66/21/05/823662105.db2.gz JUSSJYWAVIJGAP-QGZVFWFLSA-N 1 0 391.515 4.283 20 0 GIADRO CC(C)c1cc(C(=O)Nc2ccc(C[NH+](C)C)cc2F)nn1-c1ccccc1 ZINC000412558857 823662176 /nfs/dbraw/zinc/66/21/76/823662176.db2.gz LTYZWUDUWRUIDR-UHFFFAOYSA-N 1 0 380.467 4.449 20 0 GIADRO Cc1cccc(C(C)(C)C[NH2+]Cc2ccccc2OCC(=O)N2CCCC2)c1 ZINC000063320125 823662144 /nfs/dbraw/zinc/66/21/44/823662144.db2.gz PKVQPGPOSKXKLY-UHFFFAOYSA-N 1 0 380.532 4.064 20 0 GIADRO C[NH+](C)Cc1ccc(NC(=O)[C@H]2CCCCN2Cc2ccc(F)cc2)c(F)c1 ZINC000412560922 823662379 /nfs/dbraw/zinc/66/23/79/823662379.db2.gz ROEKQVMVUWCWFK-OAQYLSRUSA-N 1 0 387.474 4.020 20 0 GIADRO C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c(F)c1 ZINC000412561675 823662597 /nfs/dbraw/zinc/66/25/97/823662597.db2.gz ULZLDDODQNZMFW-KUHUBIRLSA-N 1 0 394.849 4.396 20 0 GIADRO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@@H]1CC[C@H](C)c2ccccc21 ZINC000125252110 823662644 /nfs/dbraw/zinc/66/26/44/823662644.db2.gz XQTOJCVFKXYUQH-HTAPYJJXSA-N 1 0 386.561 4.243 20 0 GIADRO CCOc1cccc([C@@H](C)NC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)c1 ZINC000063323106 823662618 /nfs/dbraw/zinc/66/26/18/823662618.db2.gz JUJHDJDGTUIFGP-HXUWFJFHSA-N 1 0 395.547 4.372 20 0 GIADRO CC(C)n1cc(Br)cc1C(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000412562619 823662757 /nfs/dbraw/zinc/66/27/57/823662757.db2.gz XKFBMKUIZLYJFU-UHFFFAOYSA-N 1 0 382.277 4.285 20 0 GIADRO C[NH+](C)Cc1ccc(NC(=O)Cc2cccc(OCC(F)(F)F)c2)c(F)c1 ZINC000412563054 823662762 /nfs/dbraw/zinc/66/27/62/823662762.db2.gz YHPSDTSPIPOCNS-UHFFFAOYSA-N 1 0 384.373 4.010 20 0 GIADRO CC(=O)Nc1ccc(Cl)c(C(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)c1 ZINC000125264999 823663357 /nfs/dbraw/zinc/66/33/57/823663357.db2.gz HRQADZVCORSXHA-SFHVURJKSA-N 1 0 391.943 4.073 20 0 GIADRO Cc1ccc(OCCCCNC(=O)NC2CC[NH+](CC3CCCC3)CC2)cc1 ZINC000063332325 823663541 /nfs/dbraw/zinc/66/35/41/823663541.db2.gz SPAPJFQTBXIGEW-UHFFFAOYSA-N 1 0 387.568 4.108 20 0 GIADRO COc1cc([C@H](C)[NH2+]C[C@@H](O)c2ccc(C(C)(C)C)cc2)cc(OC)c1OC ZINC000125269553 823663586 /nfs/dbraw/zinc/66/35/86/823663586.db2.gz WPWAJUDWAFLUIO-HNAYVOBHSA-N 1 0 387.520 4.394 20 0 GIADRO COc1ccccc1C(C)(C)CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000063334212 823663605 /nfs/dbraw/zinc/66/36/05/823663605.db2.gz NUKCYOKHLNUICR-UHFFFAOYSA-N 1 0 395.547 4.068 20 0 GIADRO CCCc1nc2ccccc2n1CCC(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000412574306 823663854 /nfs/dbraw/zinc/66/38/54/823663854.db2.gz MCQLZVUIJQTRSP-UHFFFAOYSA-N 1 0 382.483 4.218 20 0 GIADRO COc1ccc(Cl)cc1N1CC[C@@H]([NH2+][C@@H](C)c2cnn(C(C)C)c2C)C1 ZINC000191255840 823664011 /nfs/dbraw/zinc/66/40/11/823664011.db2.gz NMRABKKXRUETNO-WMLDXEAASA-N 1 0 376.932 4.364 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@H]2CCCN(Cc3c(F)cccc3F)C2)cnn1C(C)C ZINC000191279091 823666787 /nfs/dbraw/zinc/66/67/87/823666787.db2.gz IBHIAJRUUJTJDH-RDJZCZTQSA-N 1 0 376.495 4.366 20 0 GIADRO O=C(Nc1ccc2oc(C3CC3)nc2c1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000063391041 823666809 /nfs/dbraw/zinc/66/68/09/823666809.db2.gz FNJWSRGCPZJXJX-UHFFFAOYSA-N 1 0 382.508 4.481 20 0 GIADRO CC(=O)Nc1c(C)ccc(NC(=O)NC2CC[NH+](CC3CCCC3)CC2)c1C ZINC000063392932 823667248 /nfs/dbraw/zinc/66/72/48/823667248.db2.gz NQTPXKNIXQTRPL-UHFFFAOYSA-N 1 0 386.540 4.038 20 0 GIADRO CCOCCOc1c(Cl)cccc1NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000063397943 823667862 /nfs/dbraw/zinc/66/78/62/823667862.db2.gz JLLHNKJIBKAMRI-UHFFFAOYSA-N 1 0 397.947 4.186 20 0 GIADRO CCC[N@H+](Cc1ccc(N(C)CC)nc1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000191292321 823668379 /nfs/dbraw/zinc/66/83/79/823668379.db2.gz HDEBUPDHILWKSU-UHFFFAOYSA-N 1 0 394.563 4.055 20 0 GIADRO CCOc1cccc([C@@H](C)NC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000063404630 823668685 /nfs/dbraw/zinc/66/86/85/823668685.db2.gz UAQBVMUSAPVVEF-LJQANCHMSA-N 1 0 387.568 4.444 20 0 GIADRO FC(F)(F)c1nnc(N2CCC[N@H+](Cc3cc4ccccc4s3)CC2)s1 ZINC000191312972 823670422 /nfs/dbraw/zinc/67/04/22/823670422.db2.gz JDPBIEOTIQNSBS-UHFFFAOYSA-N 1 0 398.479 4.484 20 0 GIADRO Cc1c([C@H](C)[NH2+]C2CCN(c3ccc(N(C)C)cc3)CC2)cnn1C(C)(C)C ZINC000191312322 823670453 /nfs/dbraw/zinc/67/04/53/823670453.db2.gz ZYEXBLDJFPVOQR-KRWDZBQOSA-N 1 0 383.584 4.332 20 0 GIADRO CCN(C)c1ccc(C[NH2+]Cc2ccc(C(=O)Nc3ccc(F)cc3)cc2)cn1 ZINC000191327809 823672358 /nfs/dbraw/zinc/67/23/58/823672358.db2.gz PCPVANMHULEQMB-UHFFFAOYSA-N 1 0 392.478 4.219 20 0 GIADRO CCCNC(=O)C1CC[NH+](Cc2ccc(OC)c(OCc3ccccc3)c2)CC1 ZINC000125387405 823672474 /nfs/dbraw/zinc/67/24/74/823672474.db2.gz MPYNSFOOSLKOFD-UHFFFAOYSA-N 1 0 396.531 4.012 20 0 GIADRO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC[C@H]1c1ccccc1 ZINC000063463948 823673246 /nfs/dbraw/zinc/67/32/46/823673246.db2.gz LLXVBJMHKREKDY-GGAORHGYSA-N 1 0 377.532 4.445 20 0 GIADRO O=C(NCCc1ccc(Cl)cc1)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000063464561 823673407 /nfs/dbraw/zinc/67/34/07/823673407.db2.gz DYRYWTCJDZFKBX-HXUWFJFHSA-N 1 0 385.939 4.094 20 0 GIADRO COc1ccc2oc(C[NH2+]Cc3cccc(COC4CCOCC4)c3)cc2c1 ZINC000125402027 823673492 /nfs/dbraw/zinc/67/34/92/823673492.db2.gz IQWVWCIEWCEROQ-UHFFFAOYSA-N 1 0 381.472 4.427 20 0 GIADRO COc1ccc(C)cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000125402421 823673517 /nfs/dbraw/zinc/67/35/17/823673517.db2.gz AGYMVJABBOZEJH-KGLIPLIRSA-N 1 0 378.419 4.283 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)c2cc(OC)c(OC)cc2Cl)cc1 ZINC000125411570 823674179 /nfs/dbraw/zinc/67/41/79/823674179.db2.gz ABFGJYDFJDVYJM-UHFFFAOYSA-N 1 0 390.911 4.129 20 0 GIADRO Cc1c([C@@H](C)[NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)cnn1C(C)(C)C ZINC000191349742 823675038 /nfs/dbraw/zinc/67/50/38/823675038.db2.gz WOEUZPZLLDYZKC-QGZVFWFLSA-N 1 0 382.552 4.423 20 0 GIADRO COc1ccc([C@H]2CCC[N@@H+]2C[C@H](O)COc2cccc(C(F)(F)F)c2)cc1 ZINC000063482686 823675393 /nfs/dbraw/zinc/67/53/93/823675393.db2.gz NYMWMUNKXSXKCG-FXAWDEMLSA-N 1 0 395.421 4.291 20 0 GIADRO C[NH+](C)CCN(CCCc1ccccc1)C(=O)c1[nH]c2ccccc2c1Cl ZINC000063485798 823675557 /nfs/dbraw/zinc/67/55/57/823675557.db2.gz OTDMBAYFBHQSCI-UHFFFAOYSA-N 1 0 383.923 4.458 20 0 GIADRO Cc1c([C@@H](C)[NH2+]C[C@@H](c2cccc(Cl)c2)N2CCOCC2)cnn1C(C)C ZINC000191355108 823675707 /nfs/dbraw/zinc/67/57/07/823675707.db2.gz HBBKFQUYAXEKQH-IERDGZPVSA-N 1 0 390.959 4.150 20 0 GIADRO Cc1c([C@H](C)[NH2+]C[C@@H](c2cccc(Cl)c2)N2CCOCC2)cnn1C(C)C ZINC000191355124 823675771 /nfs/dbraw/zinc/67/57/71/823675771.db2.gz HBBKFQUYAXEKQH-KKSFZXQISA-N 1 0 390.959 4.150 20 0 GIADRO COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cc3ccccc3o2)c1 ZINC000191364137 823676781 /nfs/dbraw/zinc/67/67/81/823676781.db2.gz WSFADGRPAWVFNB-LSDHHAIUSA-N 1 0 380.444 4.206 20 0 GIADRO CC(C)c1ccc([C@H]2CCC[N@@H+]2C[C@H](O)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000125459840 823677925 /nfs/dbraw/zinc/67/79/25/823677925.db2.gz IJCNWUBNLWJCGH-YADHBBJMSA-N 1 0 387.545 4.084 20 0 GIADRO O[C@H](C[NH2+]Cc1ccc(C(F)(F)F)cc1)COc1cccc(C(F)(F)F)c1 ZINC000063548630 823678967 /nfs/dbraw/zinc/67/89/67/823678967.db2.gz CFPBXBLCLQVIGI-OAHLLOKOSA-N 1 0 393.327 4.254 20 0 GIADRO CC[N@@H+](Cc1nccn1-c1ccccc1)CC1CCN(c2ccccn2)CC1 ZINC000191387194 823679123 /nfs/dbraw/zinc/67/91/23/823679123.db2.gz PDJASZWUVZLGJW-UHFFFAOYSA-N 1 0 375.520 4.006 20 0 GIADRO COc1ccc(C2(C[NH2+]Cc3ccc(-n4cncn4)cc3)CCCCC2)cc1 ZINC000063558883 823679211 /nfs/dbraw/zinc/67/92/11/823679211.db2.gz CDXJHHYHEJRQAO-UHFFFAOYSA-N 1 0 376.504 4.268 20 0 GIADRO CCOc1ccc(NC(=O)C[NH2+]Cc2cccc(OCc3ccccc3)c2)cc1 ZINC000063559593 823679449 /nfs/dbraw/zinc/67/94/49/823679449.db2.gz JZDQIEGXENLKPK-UHFFFAOYSA-N 1 0 390.483 4.393 20 0 GIADRO O[C@H](COc1ccc2c(c1)OCO2)C[N@@H+]1CCC[C@H]1c1cccc2ccccc21 ZINC000063562674 823679627 /nfs/dbraw/zinc/67/96/27/823679627.db2.gz QIFOWQZFEFENMS-AVRDEDQJSA-N 1 0 391.467 4.145 20 0 GIADRO Cc1c([C@@H](C)[NH2+][C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)cnn1C(C)C ZINC000191401678 823681116 /nfs/dbraw/zinc/68/11/16/823681116.db2.gz NBTAZLLQLRFTEG-XIKOKIGWSA-N 1 0 378.879 4.021 20 0 GIADRO CCCN(CCC[NH+](C)C)C(=O)Nc1cc(C(=O)N(C)C(C)C)ccc1Cl ZINC000191405282 823681488 /nfs/dbraw/zinc/68/14/88/823681488.db2.gz XHRHQBRPCJLGDL-UHFFFAOYSA-N 1 0 396.963 4.016 20 0 GIADRO Cc1ccc([C@H]2CCCN2C(=O)NC2CC[NH+](Cc3ccncc3)CC2)cc1C ZINC000063615615 823683350 /nfs/dbraw/zinc/68/33/50/823683350.db2.gz IFNIMYOPYSLPMC-HSZRJFAPSA-N 1 0 392.547 4.210 20 0 GIADRO Cc1ccc([C@@H]2CCC[N@@H+]2CC(=O)NCc2ccc(OC(F)F)cc2)cc1C ZINC000063619597 823683594 /nfs/dbraw/zinc/68/35/94/823683594.db2.gz ZRABHHSKEUGYQZ-FQEVSTJZSA-N 1 0 388.458 4.358 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NCc3nccn3-c3ccccc3)cc2F)CC1 ZINC000191425690 823683918 /nfs/dbraw/zinc/68/39/18/823683918.db2.gz LWAZMRXVQGQMCX-UHFFFAOYSA-N 1 0 393.510 4.154 20 0 GIADRO Cc1csc(C(=O)Nc2ccc(C)cc2OCC[NH+](C)C)c1Br ZINC000191427164 823684083 /nfs/dbraw/zinc/68/40/83/823684083.db2.gz DVJYAGXHZWWFJT-UHFFFAOYSA-N 1 0 397.338 4.320 20 0 GIADRO Oc1ccc(-c2csc(NC3CC[NH+](Cc4ccccc4)CC3)n2)cc1O ZINC000063630519 823685026 /nfs/dbraw/zinc/68/50/26/823685026.db2.gz WWHAPXAGOUZSCC-UHFFFAOYSA-N 1 0 381.501 4.298 20 0 GIADRO COC(=O)[C@H](C)c1ccc(NC(=O)c2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000412818819 823685393 /nfs/dbraw/zinc/68/53/93/823685393.db2.gz VGEGYWVXJBEJLK-QGZVFWFLSA-N 1 0 380.488 4.201 20 0 GIADRO C[C@H](NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(C)(C)C[NH+](C)C ZINC000461709106 823685409 /nfs/dbraw/zinc/68/54/09/823685409.db2.gz PUELINPMMBFXCR-JTQLQIEISA-N 1 0 384.364 4.430 20 0 GIADRO CCN(CCC[NH+](C)C)C(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1 ZINC000191462245 823687901 /nfs/dbraw/zinc/68/79/01/823687901.db2.gz XAQMIEFDXXABLA-UHFFFAOYSA-N 1 0 376.888 4.333 20 0 GIADRO COc1ccc([C@@H]([NH2+]CCC2OCCO2)c2ccc(C(F)(F)F)cc2)cc1 ZINC000125594075 823688383 /nfs/dbraw/zinc/68/83/83/823688383.db2.gz GPJNUMOFECFBCS-IBGZPJMESA-N 1 0 381.394 4.156 20 0 GIADRO C[C@@H](C(=O)NC[C@H](c1cccs1)[NH+](C)C)c1cccc(Br)c1 ZINC000461730769 823688712 /nfs/dbraw/zinc/68/87/12/823688712.db2.gz UZBMVAXUYJOEHK-IUODEOHRSA-N 1 0 381.339 4.033 20 0 GIADRO CCCN(CC[NH+](CC)CC)C(=O)[C@@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000461732591 823688907 /nfs/dbraw/zinc/68/89/07/823688907.db2.gz ZIOHJFDDSTXCDH-HXUWFJFHSA-N 1 0 388.600 4.074 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)C1=Cc2ccccc2OC1 ZINC000063679736 823688995 /nfs/dbraw/zinc/68/89/95/823688995.db2.gz GWPHTGKTAIZBHC-UHFFFAOYSA-N 1 0 376.500 4.155 20 0 GIADRO CCCCn1c(C)cc(/C=C(/C#N)C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)c1C ZINC000063693713 823689719 /nfs/dbraw/zinc/68/97/19/823689719.db2.gz BHBKSKMVBSDRIH-ZWAQGKOVSA-N 1 0 384.568 4.049 20 0 GIADRO CC[C@@H](NC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1)c1nccs1 ZINC000125614298 823690121 /nfs/dbraw/zinc/69/01/21/823690121.db2.gz CODRSBULEYKTDV-LJQANCHMSA-N 1 0 386.565 4.326 20 0 GIADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cc(-c3ccco3)nc3ccccc32)C1 ZINC000063710489 823690331 /nfs/dbraw/zinc/69/03/31/823690331.db2.gz TXSYJHRONBGBBW-QGZVFWFLSA-N 1 0 377.488 4.345 20 0 GIADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)C1 ZINC000063710843 823690540 /nfs/dbraw/zinc/69/05/40/823690540.db2.gz LTYXFNQCFKZPBF-AWEZNQCLSA-N 1 0 395.334 4.029 20 0 GIADRO Brc1cccc([C@H]([NH2+]CCCOCC2CC2)C2CCOCC2)c1 ZINC000191489462 823690582 /nfs/dbraw/zinc/69/05/82/823690582.db2.gz JRWHBIBXZJFZBQ-LJQANCHMSA-N 1 0 382.342 4.323 20 0 GIADRO CCCn1ccnc1CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000191491691 823690810 /nfs/dbraw/zinc/69/08/10/823690810.db2.gz CMIBQKYSZLKMTO-HNNXBMFYSA-N 1 0 396.457 4.204 20 0 GIADRO CCCn1ccnc1CCC[N@H+](C)CC(=O)Nc1cccc(Cl)c1Cl ZINC000191494326 823691227 /nfs/dbraw/zinc/69/12/27/823691227.db2.gz UNCZFVHDHHTQMQ-UHFFFAOYSA-N 1 0 383.323 4.103 20 0 GIADRO C[C@H](Sc1ccc(Br)cc1)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000063722152 823691430 /nfs/dbraw/zinc/69/14/30/823691430.db2.gz XJUSIJSHNBBGFG-AWEZNQCLSA-N 1 0 399.398 4.263 20 0 GIADRO CC(C)(C)[N@@H+]1CCCN(C(=O)C(C)(C)c2ccc(Br)cc2)CC1 ZINC000063722502 823691441 /nfs/dbraw/zinc/69/14/41/823691441.db2.gz JGVKSHOWXIUJJI-UHFFFAOYSA-N 1 0 381.358 4.060 20 0 GIADRO CC[NH+](CC)[C@H](CN[C@@H](c1ncc[nH]1)c1ccccc1)c1cccc(OC)c1 ZINC000125630878 823691445 /nfs/dbraw/zinc/69/14/45/823691445.db2.gz CAQPVISAXMABQW-FGZHOGPDSA-N 1 0 378.520 4.180 20 0 GIADRO Cc1cc(/C=C(/C#N)C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)c(C)n1CC(C)C ZINC000063723440 823691741 /nfs/dbraw/zinc/69/17/41/823691741.db2.gz GJGODVVBEDPXHZ-STZFKDTASA-N 1 0 384.568 4.001 20 0 GIADRO COc1ccc(-n2c(C)cc(C(=O)N3CCC[N@@H+](C(C)(C)C)CC3)c2C)cc1 ZINC000063724467 823691950 /nfs/dbraw/zinc/69/19/50/823691950.db2.gz OUEWOMHSLOGVJA-UHFFFAOYSA-N 1 0 383.536 4.049 20 0 GIADRO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cnn(C(C)(C)C)c2C)c2ccc(F)cc2C1 ZINC000191503572 823692501 /nfs/dbraw/zinc/69/25/01/823692501.db2.gz WSXKNKQIBGFBQJ-LHSJRXKWSA-N 1 0 386.515 4.230 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCN(c3ccccc3OC)C1)CCS2 ZINC000191506737 823693060 /nfs/dbraw/zinc/69/30/60/823693060.db2.gz ZWCTXGWZSSQQED-VQIMIIECSA-N 1 0 384.545 4.357 20 0 GIADRO CC[C@@H](C(=O)NC(c1cccc(OC)c1)c1cccc(OC)c1)[NH+](CC)CC ZINC000461764734 823693102 /nfs/dbraw/zinc/69/31/02/823693102.db2.gz KIRWHIIOXQEWGZ-NRFANRHFSA-N 1 0 384.520 4.030 20 0 GIADRO Cc1noc(C)c1CC[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000191512310 823693809 /nfs/dbraw/zinc/69/38/09/823693809.db2.gz GIOPCYBHPIYIEO-LJQANCHMSA-N 1 0 393.325 4.354 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2c[nH]cc2-c2ccc(Cl)s2)C1 ZINC000063758745 823693982 /nfs/dbraw/zinc/69/39/82/823693982.db2.gz JKIDLQHJSKMOHB-OKILXGFUSA-N 1 0 379.957 4.494 20 0 GIADRO C[N@H+](CCCCCc1cc(-c2cccc(F)c2)no1)CC(=O)N1CCCCC1 ZINC000063764051 823694136 /nfs/dbraw/zinc/69/41/36/823694136.db2.gz XNCUYPTVQREODH-UHFFFAOYSA-N 1 0 387.499 4.138 20 0 GIADRO O[C@@H](C[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1)c1ccsc1 ZINC000191517180 823694415 /nfs/dbraw/zinc/69/44/15/823694415.db2.gz UYNKARMJTWFJAA-ROUUACIJSA-N 1 0 396.350 4.302 20 0 GIADRO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1csc(-c2ccccc2F)n1 ZINC000063771015 823694461 /nfs/dbraw/zinc/69/44/61/823694461.db2.gz SWTWHFXZQVKUDW-UHFFFAOYSA-N 1 0 375.513 4.286 20 0 GIADRO O[C@H]1CCCC[C@@H]1C[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000191517971 823694609 /nfs/dbraw/zinc/69/46/09/823694609.db2.gz HQQYKNUEFJYBDA-NEWSRXKRSA-N 1 0 382.342 4.058 20 0 GIADRO CC(C)c1cc(C(=O)N(C)CC[N@H+](C)C2CCCCC2)c2cnn(C(C)C)c2n1 ZINC000063771881 823694711 /nfs/dbraw/zinc/69/47/11/823694711.db2.gz MGQNAUDRNJBYAU-UHFFFAOYSA-N 1 0 399.583 4.472 20 0 GIADRO Cc1cnc(C[NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)s1 ZINC000191519564 823694767 /nfs/dbraw/zinc/69/47/67/823694767.db2.gz AHMBHFYBDLJZGJ-KRWDZBQOSA-N 1 0 381.339 4.472 20 0 GIADRO COc1ccc(CC[NH2+]Cc2c(C)nn(Cc3ccccc3)c2Cl)c(OC)c1 ZINC000063776358 823695065 /nfs/dbraw/zinc/69/50/65/823695065.db2.gz MQTBXOCIUQBXCD-UHFFFAOYSA-N 1 0 399.922 4.243 20 0 GIADRO NC(=O)Nc1ccc(C[NH2+]C(Cc2ccccc2F)Cc2ccccc2F)cc1 ZINC000461791533 823695933 /nfs/dbraw/zinc/69/59/33/823695933.db2.gz OLMUKWDEZRQXBG-UHFFFAOYSA-N 1 0 395.453 4.399 20 0 GIADRO Cc1ccc(C[NH2+][C@@H]2CSCCc3ccccc32)c(-n2cc(Cl)cn2)n1 ZINC000191531913 823696342 /nfs/dbraw/zinc/69/63/42/823696342.db2.gz VAQQJSXUFKDHCF-LJQANCHMSA-N 1 0 384.936 4.349 20 0 GIADRO COc1ccc2c(c1)[C@@H]([NH2+]C1CCN([C@H](C)c3ccncc3)CC1)CCS2 ZINC000191536483 823697090 /nfs/dbraw/zinc/69/70/90/823697090.db2.gz XUPSHUXERPFSJT-IERDGZPVSA-N 1 0 383.561 4.442 20 0 GIADRO CC[N@@H+]1CCC[C@H]1CNC(=S)Nc1ccc(Oc2ccc(C#N)cc2)cc1C ZINC000063793575 823697144 /nfs/dbraw/zinc/69/71/44/823697144.db2.gz BOYSMMZEUAVQGO-SFHVURJKSA-N 1 0 394.544 4.430 20 0 GIADRO CC[N@@H+]1CCC[C@H]1CNC(=S)N[C@@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000063794797 823697295 /nfs/dbraw/zinc/69/72/95/823697295.db2.gz KCOFPQNXKPCFMD-ZWKOTPCHSA-N 1 0 394.009 4.439 20 0 GIADRO COc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCCN(Cc3ccccc3)C1=O)CCS2 ZINC000191539011 823697567 /nfs/dbraw/zinc/69/75/67/823697567.db2.gz XOKYHZZTFCHMQK-PMACEKPBSA-N 1 0 382.529 4.013 20 0 GIADRO Cc1cccc(C[NH2+][C@@H](C)c2cccc(N3CCOCC3)c2)c1Br ZINC000191540477 823697756 /nfs/dbraw/zinc/69/77/56/823697756.db2.gz IQBIELPZWYDZBV-INIZCTEOSA-N 1 0 389.337 4.445 20 0 GIADRO CN(CCOc1ccccc1)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000063799595 823697961 /nfs/dbraw/zinc/69/79/61/823697961.db2.gz CDGIGFMYEGEBEO-UHFFFAOYSA-N 1 0 395.547 4.283 20 0 GIADRO OCC[C@H]([NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1)c1ccco1 ZINC000191549440 823698600 /nfs/dbraw/zinc/69/86/00/823698600.db2.gz IPRJGRFGCVIKIQ-PKOBYXMFSA-N 1 0 394.309 4.223 20 0 GIADRO O=C(CCCc1ccc(F)c(F)c1)Nc1ccccc1OCCn1ccnc1 ZINC000125707677 823698693 /nfs/dbraw/zinc/69/86/93/823698693.db2.gz IFVLLPTYMKUBQG-UHFFFAOYSA-N 1 0 385.414 4.202 20 0 GIADRO Cc1ccc(NC(=O)[C@@H](C)N2CCC(OCCc3ccccc3)CC2)c(F)c1 ZINC000125707716 823698760 /nfs/dbraw/zinc/69/87/60/823698760.db2.gz MVGOZUZPNGDMGD-GOSISDBHSA-N 1 0 384.495 4.185 20 0 GIADRO Cc1c([C@@H](C)[NH2+][C@H]2CCN(CC(F)(F)F)C2)cnn1-c1cccc(Cl)c1 ZINC000125712298 823699196 /nfs/dbraw/zinc/69/91/96/823699196.db2.gz BSPNRVNUNXGIGB-DOMZBBRYSA-N 1 0 386.849 4.121 20 0 GIADRO CC[C@@H](CCc1ccc(Br)cc1)[NH2+]C1CCN(C(=O)C2CC2)CC1 ZINC000461811202 823699548 /nfs/dbraw/zinc/69/95/48/823699548.db2.gz HULNJDAUNNZDTF-SFHVURJKSA-N 1 0 393.369 4.151 20 0 GIADRO COc1cccc(-c2noc([C@H](C)NC3CC[NH+]([C@@H]4CCC[C@@H](C)C4)CC3)n2)c1 ZINC000191565063 823700640 /nfs/dbraw/zinc/70/06/40/823700640.db2.gz QHPXQIOPXPLRPJ-FUHIMQAGSA-N 1 0 398.551 4.439 20 0 GIADRO CCOC(=O)c1csc(CC[NH2+][C@@H](C)[C@@H](C)c2nc3ccccc3s2)n1 ZINC000191565839 823700903 /nfs/dbraw/zinc/70/09/03/823700903.db2.gz ODUJGWPEHRIBTG-OLZOCXBDSA-N 1 0 389.546 4.254 20 0 GIADRO CCOC(=O)c1csc(C2CC[NH+](CCc3ccccc3Cl)CC2)n1 ZINC000191567054 823701091 /nfs/dbraw/zinc/70/10/91/823701091.db2.gz IPXXLRLUGHVYIB-UHFFFAOYSA-N 1 0 378.925 4.395 20 0 GIADRO CC(C)Oc1cccc(CN(C)C(=O)NC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000125732167 823701473 /nfs/dbraw/zinc/70/14/73/823701473.db2.gz FABAPXLRWPCFPQ-UHFFFAOYSA-N 1 0 387.568 4.412 20 0 GIADRO CC[N@@H+]1CCC[C@H](CNC(=O)CSc2cc(C)c(Br)cc2C)C1 ZINC000063852032 823702335 /nfs/dbraw/zinc/70/23/35/823702335.db2.gz XPEBZNHUGVWNMO-OAHLLOKOSA-N 1 0 399.398 4.006 20 0 GIADRO COc1ccc([C@@H](Cc2ccccc2)[NH2+]C[C@H](O)COc2ccccc2)cc1 ZINC000574322915 823702491 /nfs/dbraw/zinc/70/24/91/823702491.db2.gz UEEYRKCOTYXZSM-XUZZJYLKSA-N 1 0 377.484 4.009 20 0 GIADRO COC[C@H](C)Oc1ccc(Cl)cc1NC1CC[NH+](Cc2ccccn2)CC1 ZINC000191574933 823702642 /nfs/dbraw/zinc/70/26/42/823702642.db2.gz LDAMBNSHCRNETG-INIZCTEOSA-N 1 0 389.927 4.225 20 0 GIADRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cccnc2Sc2ccc(C)c(C)c2)C1 ZINC000063852792 823702689 /nfs/dbraw/zinc/70/26/89/823702689.db2.gz HIYPRPBQEFCMIS-GOSISDBHSA-N 1 0 383.561 4.311 20 0 GIADRO O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1ccccc1CC1CC[NH2+]CC1 ZINC000574324302 823702845 /nfs/dbraw/zinc/70/28/45/823702845.db2.gz CJRRBQCTDMIJPD-JOCHJYFZSA-N 1 0 394.515 4.039 20 0 GIADRO CCC(C)(C)NC(=O)c1ccc(NC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000125742334 823702969 /nfs/dbraw/zinc/70/29/69/823702969.db2.gz LFYJGJWPFRJYSM-FQEVSTJZSA-N 1 0 396.535 4.029 20 0 GIADRO C[C@@H](OCCC[NH2+][C@@H](C)CC(=O)Nc1cccnc1Cl)c1ccccc1 ZINC000163353245 823703355 /nfs/dbraw/zinc/70/33/55/823703355.db2.gz IJTVYLJGQXOWAO-JKSUJKDBSA-N 1 0 375.900 4.210 20 0 GIADRO COc1cc(OC)cc([C@@H]([NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)c2nccn2C)c1 ZINC000125750993 823704124 /nfs/dbraw/zinc/70/41/24/823704124.db2.gz ABRAEAKBQBILQB-RLFYNMQTSA-N 1 0 397.441 4.237 20 0 GIADRO COC(=O)[C@](C)(C[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(C)C)c1ccccc1 ZINC000191581660 823704155 /nfs/dbraw/zinc/70/41/55/823704155.db2.gz NENWVNKQXYBZFK-MHECFPHRSA-N 1 0 396.531 4.248 20 0 GIADRO O=C(c1ccc(Nc2cc[nH+]cc2)cc1)N1CC[C@](F)(c2ccccc2F)C1 ZINC000574342502 823705171 /nfs/dbraw/zinc/70/51/71/823705171.db2.gz ZIYSHMUBVJJPBE-JOCHJYFZSA-N 1 0 379.410 4.097 20 0 GIADRO COc1cc(CNc2ccc(CC[NH+](C)C)cc2)ccc1OCC(F)(F)F ZINC000125760755 823705394 /nfs/dbraw/zinc/70/53/94/823705394.db2.gz IEDWUZJGCQYCPH-UHFFFAOYSA-N 1 0 382.426 4.353 20 0 GIADRO COc1ccccc1/C=C\C[NH2+]CC(=O)Nc1ccc(Br)cc1C ZINC000574347484 823706065 /nfs/dbraw/zinc/70/60/65/823706065.db2.gz SJJGNNRKKBBBNE-ALCCZGGFSA-N 1 0 389.293 4.008 20 0 GIADRO O=C(Nc1ncc(-c2cccnc2)s1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000574347320 823706099 /nfs/dbraw/zinc/70/60/99/823706099.db2.gz WLHDUFIJUYMPNI-KRWDZBQOSA-N 1 0 396.491 4.195 20 0 GIADRO CC[C@@H](C(=O)N(Cc1ccccc1)[C@@H](C)c1cccc(NC(C)=O)c1)[NH+](C)C ZINC000413093927 823706092 /nfs/dbraw/zinc/70/60/92/823706092.db2.gz APGBVBANNOCVQH-JTSKRJEESA-N 1 0 381.520 4.075 20 0 GIADRO Cc1cc(C[NH+]2CCC(Oc3cnccn3)CC2)ccc1Oc1cccnc1 ZINC000574348086 823706143 /nfs/dbraw/zinc/70/61/43/823706143.db2.gz GVUAHFWMXAEDLU-UHFFFAOYSA-N 1 0 376.460 4.016 20 0 GIADRO Cc1cnc(-c2cccc(NC(=O)N[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C)c2)o1 ZINC000163393170 823706184 /nfs/dbraw/zinc/70/61/84/823706184.db2.gz REGHEMKUJPGYMF-KKSFZXQISA-N 1 0 390.487 4.292 20 0 GIADRO C[C@@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)c1ccc(Br)cc1F ZINC000125766952 823706260 /nfs/dbraw/zinc/70/62/60/823706260.db2.gz NMGYWBCXDMHLDR-GFCCVEGCSA-N 1 0 395.272 4.137 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccnc(Cl)c1 ZINC000163404381 823706850 /nfs/dbraw/zinc/70/68/50/823706850.db2.gz HGZOPEJJHUAVER-CYBMUJFWSA-N 1 0 399.844 4.441 20 0 GIADRO CC(C)(C)C[C@@H]1CCN(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1(C)C ZINC000413103777 823707625 /nfs/dbraw/zinc/70/76/25/823707625.db2.gz WUYINXMRJJUOLE-SFHVURJKSA-N 1 0 386.584 4.292 20 0 GIADRO CCOCCOc1ccccc1C(=O)Nc1cc(C[NH+]2CCCC2)ccc1C ZINC000163419640 823707804 /nfs/dbraw/zinc/70/78/04/823707804.db2.gz YTGZQZOALHXGTC-UHFFFAOYSA-N 1 0 382.504 4.258 20 0 GIADRO COc1ccc(C[C@@H](C)C[NH2+][C@@H](C)c2nc(Cc3ccccc3)no2)cc1F ZINC000191597388 823707831 /nfs/dbraw/zinc/70/78/31/823707831.db2.gz LYPKDAHYLOTBLP-CVEARBPZSA-N 1 0 383.467 4.338 20 0 GIADRO CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)c1 ZINC000163433021 823708854 /nfs/dbraw/zinc/70/88/54/823708854.db2.gz DFXFTMVSHCVANE-KRWDZBQOSA-N 1 0 391.943 4.025 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1)C(=O)N1CCc2sccc2C1 ZINC000125780555 823709082 /nfs/dbraw/zinc/70/90/82/823709082.db2.gz PKNWBVORVKTPGL-QWHCGFSZSA-N 1 0 398.450 4.271 20 0 GIADRO Cc1c(NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cnn1-c1ccc(Cl)cc1 ZINC000574363532 823709137 /nfs/dbraw/zinc/70/91/37/823709137.db2.gz RTSZYSAQUMDNJR-UHFFFAOYSA-N 1 0 389.931 4.172 20 0 GIADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)N[C@@H](c1ccc(C)cc1)c1ccc(OC)cc1 ZINC000063909150 823709227 /nfs/dbraw/zinc/70/92/27/823709227.db2.gz FQUMVEHRIQDRMI-IRLDBZIGSA-N 1 0 397.588 4.041 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)N1CC2(CCOCC2)[C@@H]1c1ccccc1)C1CCCCC1 ZINC000413113571 823709437 /nfs/dbraw/zinc/70/94/37/823709437.db2.gz WOOHYIBDZOCHPH-VXKWHMMOSA-N 1 0 399.579 4.060 20 0 GIADRO COc1cc([C@@H](C)[NH2+]C[C@H](Cc2ccccc2)C(C)C)ccc1S(C)(=O)=O ZINC000191603957 823710310 /nfs/dbraw/zinc/71/03/10/823710310.db2.gz WWXZCWTZGJTZGO-XLIONFOSSA-N 1 0 389.561 4.264 20 0 GIADRO Cc1ccncc1CCC[N@@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000574366933 823710428 /nfs/dbraw/zinc/71/04/28/823710428.db2.gz ZWANOKITJPVNBZ-LJQANCHMSA-N 1 0 380.467 4.391 20 0 GIADRO COC(=O)COc1c(C)cc(C[NH2+][C@H](C)c2cccc(OC(F)F)c2)cc1C ZINC000063914512 823710625 /nfs/dbraw/zinc/71/06/25/823710625.db2.gz IVASSEROZVLPNV-OAHLLOKOSA-N 1 0 393.430 4.307 20 0 GIADRO CCOc1ccc([C@@H](C)NC(=O)c2cccc(C[NH+]3CCCC3)c2)cc1OC ZINC000063915571 823710965 /nfs/dbraw/zinc/71/09/65/823710965.db2.gz SGWIZRKSEBAKKP-QGZVFWFLSA-N 1 0 382.504 4.181 20 0 GIADRO C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[NH+]1CCC(c2ccncc2)CC1 ZINC000191613062 823712871 /nfs/dbraw/zinc/71/28/71/823712871.db2.gz GBSOGFXAXFFDEZ-AWEZNQCLSA-N 1 0 393.409 4.187 20 0 GIADRO O=C(Nc1ccc2c(c1)C[NH2+]C2)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000574383179 823714952 /nfs/dbraw/zinc/71/49/52/823714952.db2.gz ZZJZKGNIJXZHDQ-INIZCTEOSA-N 1 0 392.286 4.282 20 0 GIADRO CC(C)CN(C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)[C@H]1CCCc2cccnc21 ZINC000163495780 823715533 /nfs/dbraw/zinc/71/55/33/823715533.db2.gz VCBNYJOTJDTDGX-FPOVZHCZSA-N 1 0 384.568 4.144 20 0 GIADRO Cc1ccc(N2CCC([NH2+]C3CCN(Cc4ccc(Cl)cc4)CC3)CC2)nc1 ZINC000163500842 823716102 /nfs/dbraw/zinc/71/61/02/823716102.db2.gz QSDOPDFRKYUBJW-UHFFFAOYSA-N 1 0 398.982 4.266 20 0 GIADRO COc1ccc([C@H]([NH2+]CCN2CCc3ccccc3C2=O)c2ccccc2)cc1 ZINC000191621738 823716374 /nfs/dbraw/zinc/71/63/74/823716374.db2.gz JCHKXVCPPKZVFY-XMMPIXPASA-N 1 0 386.495 4.073 20 0 GIADRO CCC(=O)Nc1cccc(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000574393424 823718328 /nfs/dbraw/zinc/71/83/28/823718328.db2.gz WLTZNISPWKRLKH-NUNAXRQHSA-N 1 0 377.532 4.320 20 0 GIADRO C[C@@H]([NH2+]Cc1cccnc1-n1cccn1)c1ccc(Br)cc1F ZINC000125820325 823719553 /nfs/dbraw/zinc/71/95/53/823719553.db2.gz OGHMZWSHJQVBKF-GFCCVEGCSA-N 1 0 375.245 4.020 20 0 GIADRO C[C@H]([NH2+]Cc1cccnc1-n1ccnc1)c1ccc(Br)cc1F ZINC000125822547 823720043 /nfs/dbraw/zinc/72/00/43/823720043.db2.gz MGARIXHKFRJGJK-LBPRGKRZSA-N 1 0 375.245 4.020 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+][C@H]1CCO[C@@H](c2ccncc2)C1 ZINC000574402848 823720136 /nfs/dbraw/zinc/72/01/36/823720136.db2.gz LVQGKRMLEAISBN-ZOCIIQOWSA-N 1 0 380.517 4.479 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+][C@@H]1CCO[C@H](c2ccncc2)C1 ZINC000574402845 823720264 /nfs/dbraw/zinc/72/02/64/823720264.db2.gz LVQGKRMLEAISBN-KYNGSXCRSA-N 1 0 380.517 4.479 20 0 GIADRO CCC(CC)(CNC(=O)c1c[nH]c(=O)c2ccccc12)[NH2+][C@@H](C)c1ccccc1 ZINC000191642602 823721921 /nfs/dbraw/zinc/72/19/21/823721921.db2.gz IMSPUSWWFHYFQS-KRWDZBQOSA-N 1 0 391.515 4.168 20 0 GIADRO O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N1CCC[C@H]1Cc1ccccc1Cl ZINC000574422461 823725314 /nfs/dbraw/zinc/72/53/14/823725314.db2.gz KGUSSHUDOHZPIE-OALUTQOASA-N 1 0 392.996 4.091 20 0 GIADRO CC(C)(CO)[C@@H]([NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1)c1cccnc1 ZINC000574421316 823725323 /nfs/dbraw/zinc/72/53/23/823725323.db2.gz HHZVQHLOPALLNW-KRWDZBQOSA-N 1 0 386.389 4.011 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)N1CCC=C(c2ccco2)C1)c1cccc(OC)c1 ZINC000574423599 823725686 /nfs/dbraw/zinc/72/56/86/823725686.db2.gz XYBWWPGJFCZYOF-NRFANRHFSA-N 1 0 397.519 4.170 20 0 GIADRO COc1ccc([C@H](NC(=O)C2CC[NH+](C(C)C)CC2)c2ccccc2OC)cc1 ZINC000163614327 823728294 /nfs/dbraw/zinc/72/82/94/823728294.db2.gz SHJYYSUWCAJUPL-QHCPKHFHSA-N 1 0 396.531 4.030 20 0 GIADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc(C(F)(F)F)cc3Cl)CC[C@@H]21 ZINC000125852661 823728676 /nfs/dbraw/zinc/72/86/76/823728676.db2.gz BYLNRFCPLRCDAI-ABAIWWIYSA-N 1 0 375.822 4.307 20 0 GIADRO Fc1ccc(OC2CC[NH+](Cc3ccc(-c4ccncc4)cc3F)CC2)cn1 ZINC000191675591 823729435 /nfs/dbraw/zinc/72/94/35/823729435.db2.gz JSOPPNXKXVUCRQ-UHFFFAOYSA-N 1 0 381.426 4.465 20 0 GIADRO Fc1ccc(OC2CC[NH+](Cc3ccc(OCc4ccccn4)cc3)CC2)cn1 ZINC000191677981 823730137 /nfs/dbraw/zinc/73/01/37/823730137.db2.gz RVWBLUSDDNCRPT-UHFFFAOYSA-N 1 0 393.462 4.238 20 0 GIADRO CCc1nn(C)c(Cl)c1CNc1cc(C)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000191678655 823730456 /nfs/dbraw/zinc/73/04/56/823730456.db2.gz PLKKXUGRQJPOQV-UHFFFAOYSA-N 1 0 389.975 4.087 20 0 GIADRO COc1ccc(CNc2cc(C)cc(N3CC[NH+](C(C)C)CC3)c2)cc1OC ZINC000191680096 823731054 /nfs/dbraw/zinc/73/10/54/823731054.db2.gz UBKJIRBVGGQFQS-UHFFFAOYSA-N 1 0 383.536 4.155 20 0 GIADRO [NH3+][C@H]1CCO[C@@H](C2CCN(C(=O)CC3(CCc4ccccc4)CCCC3)CC2)C1 ZINC000574441740 823731225 /nfs/dbraw/zinc/73/12/25/823731225.db2.gz BGDGFTHSJUAYAP-XZOQPEGZSA-N 1 0 398.591 4.315 20 0 GIADRO COC1CCN(CC[NH2+][C@@H]2CCCc3nc(-c4ccc(C)cc4)sc32)CC1 ZINC000163644627 823732061 /nfs/dbraw/zinc/73/20/61/823732061.db2.gz YAQNFOQNLMRHKF-LJQANCHMSA-N 1 0 385.577 4.196 20 0 GIADRO C[C@@H](CCc1ccco1)NC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000574447782 823733141 /nfs/dbraw/zinc/73/31/41/823733141.db2.gz SKNKGMBPHQVFBX-FPOVZHCZSA-N 1 0 383.536 4.202 20 0 GIADRO COCCOc1ccc(C[NH2+][C@@H](C)c2ccc(Br)cc2F)cc1 ZINC000125870996 823733462 /nfs/dbraw/zinc/73/34/62/823733462.db2.gz HJPATYZAFQFCRT-ZDUSSCGKSA-N 1 0 382.273 4.464 20 0 GIADRO O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)c1cccc(C[NH+]2CCCC2)c1 ZINC000064026467 823735290 /nfs/dbraw/zinc/73/52/90/823735290.db2.gz ZHWROGMVAZGHLW-JOCHJYFZSA-N 1 0 380.488 4.093 20 0 GIADRO Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000125880386 823735577 /nfs/dbraw/zinc/73/55/77/823735577.db2.gz MFBJQLCQKOTGHF-HOTGVXAUSA-N 1 0 378.586 4.294 20 0 GIADRO C[C@H]1CN(c2ccccc2NC(=O)c2cccc(C[NH+]3CCCC3)c2)C[C@H](C)O1 ZINC000064026786 823736337 /nfs/dbraw/zinc/73/63/37/823736337.db2.gz RXPJSOWWCCSGOB-OALUTQOASA-N 1 0 393.531 4.148 20 0 GIADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2oc3ccccc3c2COC(C)C)C1 ZINC000163692747 823737975 /nfs/dbraw/zinc/73/79/75/823737975.db2.gz YCMIOGNUYDXTIN-GOSISDBHSA-N 1 0 386.536 4.456 20 0 GIADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2oc3ccccc3c2COC(C)C)C1 ZINC000163692880 823738162 /nfs/dbraw/zinc/73/81/62/823738162.db2.gz YCMIOGNUYDXTIN-SFHVURJKSA-N 1 0 386.536 4.456 20 0 GIADRO CCOC(=O)C1CCC([N@H+](CC)Cc2ccc(OC)cc2OC(F)F)CC1 ZINC000574467629 823738184 /nfs/dbraw/zinc/73/81/84/823738184.db2.gz DUQPMANRTVNUJH-UHFFFAOYSA-N 1 0 385.451 4.240 20 0 GIADRO O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)N[C@@H]1C[C@H]1c1ccco1 ZINC000413250278 823738705 /nfs/dbraw/zinc/73/87/05/823738705.db2.gz RANNUMRLJZZFHU-IEBWSBKVSA-N 1 0 387.911 4.000 20 0 GIADRO C[C@H]([NH2+][C@@H](CN1CCOCC1)c1ccccc1)c1ccccc1OC(F)F ZINC000163699531 823738779 /nfs/dbraw/zinc/73/87/79/823738779.db2.gz SIEPDLRJNYPYCP-LPHOPBHVSA-N 1 0 376.447 4.012 20 0 GIADRO CC(C)[NH+]1CCC(C(=O)Nc2ccccc2CN2CCc3ccccc32)CC1 ZINC000461886370 823738718 /nfs/dbraw/zinc/73/87/18/823738718.db2.gz BUDLWXSXGWGCKG-UHFFFAOYSA-N 1 0 377.532 4.308 20 0 GIADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccc(N2CCc3ccccc3C2)cc1 ZINC000064046848 823740358 /nfs/dbraw/zinc/74/03/58/823740358.db2.gz HYEVGSOKXXYANP-VQTJNVASSA-N 1 0 391.559 4.100 20 0 GIADRO COCc1ccc(C[NH2+]C[C@H](O)COc2ccc(-c3ccccc3)cc2)cc1 ZINC000574475929 823740506 /nfs/dbraw/zinc/74/05/06/823740506.db2.gz OMIQQAAZJLEESH-QHCPKHFHSA-N 1 0 377.484 4.030 20 0 GIADRO CC[C@@H](CCc1ccc(Br)cc1)[NH2+][C@H](C)C(=O)NCc1ccco1 ZINC000461892595 823740854 /nfs/dbraw/zinc/74/08/54/823740854.db2.gz XAZVFOIVKMEIAG-PBHICJAKSA-N 1 0 393.325 4.048 20 0 GIADRO CC(=O)c1ccc2c(c1)CN(C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1)C2 ZINC000413265138 823741498 /nfs/dbraw/zinc/74/14/98/823741498.db2.gz IUNONFDKSBTBHE-MRXNPFEDSA-N 1 0 379.504 4.044 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc(NC(=O)N(C)C)cc1Cl ZINC000125909170 823741640 /nfs/dbraw/zinc/74/16/40/823741640.db2.gz KFSZSTHAGSYLNS-UHFFFAOYSA-N 1 0 388.899 4.056 20 0 GIADRO Cc1cc2c(cc1C)[C@H]([NH2+]Cc1cccc(CN3CCOCC3)c1)CCCO2 ZINC000163723291 823741715 /nfs/dbraw/zinc/74/17/15/823741715.db2.gz WEOUEIRYSQBNQU-HSZRJFAPSA-N 1 0 380.532 4.139 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)N(CC(C)C)[C@@H]2CCCc3cccnc32)CC1 ZINC000163727959 823741998 /nfs/dbraw/zinc/74/19/98/823741998.db2.gz QBXGLOUULJJMIL-OAQYLSRUSA-N 1 0 386.584 4.249 20 0 GIADRO COCCOCc1ccc(C[NH2+][C@H]2COc3c2ccc(Cl)c3Cl)cc1 ZINC000574481291 823742213 /nfs/dbraw/zinc/74/22/13/823742213.db2.gz PIOOVAFVZCHBNZ-KRWDZBQOSA-N 1 0 382.287 4.380 20 0 GIADRO C[C@@H]([NH2+][C@H](CN1CCOCC1)c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000163734298 823743130 /nfs/dbraw/zinc/74/31/30/823743130.db2.gz VQRDAUIFAYWBGV-OXQOHEQNSA-N 1 0 376.447 4.012 20 0 GIADRO COc1cc(C[NH2+]C[C@@](C)(Cc2ccccc2)[C@@H](C)O)cc(Cl)c1OC ZINC000191709934 823743702 /nfs/dbraw/zinc/74/37/02/823743702.db2.gz UIHGVYBHSHIOGV-QVKFZJNVSA-N 1 0 377.912 4.077 20 0 GIADRO C[C@H](O)[C@](C)(C[NH2+]Cc1ccccc1OCc1cccnc1)Cc1ccccc1 ZINC000191714549 823744384 /nfs/dbraw/zinc/74/43/84/823744384.db2.gz GUKURBBROZCCLH-CPJSRVTESA-N 1 0 390.527 4.380 20 0 GIADRO COc1ccc(Cc2nc(C)c([C@@H](C)[NH2+][C@H](C)[C@@H](C)OC)s2)cc1OC ZINC000574490001 823745924 /nfs/dbraw/zinc/74/59/24/823745924.db2.gz FYSXQLUTFJXRNN-UMVBOHGHSA-N 1 0 378.538 4.134 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)c1ccc(OC(F)(F)F)cc1 ZINC000163757505 823746041 /nfs/dbraw/zinc/74/60/41/823746041.db2.gz ORLSTTYHDZDATA-INIZCTEOSA-N 1 0 394.437 4.268 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)NC[C@@H](Cc1ccccc1)C(F)(F)F)c1cccs1 ZINC000574492859 823747140 /nfs/dbraw/zinc/74/71/40/823747140.db2.gz IAGFXCSXPGIELN-HZPDHXFCSA-N 1 0 399.482 4.071 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@H]2CCCN2CC(F)(F)F)cc1 ZINC000461908565 823749285 /nfs/dbraw/zinc/74/92/85/823749285.db2.gz GHAVJNACJXJFGU-QAPCUYQASA-N 1 0 383.458 4.026 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc(Cl)c2Br)[C@H](C)C1 ZINC000191731210 823750544 /nfs/dbraw/zinc/75/05/44/823750544.db2.gz HDEHWRNTRJIROW-RISCZKNCSA-N 1 0 388.737 4.297 20 0 GIADRO Cc1ccc(-c2nn(CN3CC[NH+](CC4CCCCC4)CC3)c(=S)o2)cc1 ZINC000064128445 823752017 /nfs/dbraw/zinc/75/20/17/823752017.db2.gz CBMXXAMXJSXQFL-UHFFFAOYSA-N 1 0 386.565 4.336 20 0 GIADRO CC(=O)c1ccc2c(c1)CN(C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)C2 ZINC000413324343 823753059 /nfs/dbraw/zinc/75/30/59/823753059.db2.gz IZYZVQMDRZTJEB-LAUBAEHRSA-N 1 0 397.544 4.059 20 0 GIADRO Cc1cccc(F)c1NC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000461918861 823754460 /nfs/dbraw/zinc/75/44/60/823754460.db2.gz HPXFSZBPCATRPH-UHFFFAOYSA-N 1 0 377.504 4.069 20 0 GIADRO CC(C)[NH+](CCCNC(=O)N1CC2(CCOCC2)[C@H]1c1ccccc1)C(C)C ZINC000413339622 823755415 /nfs/dbraw/zinc/75/54/15/823755415.db2.gz QHKFFNNWAQRDRV-OAQYLSRUSA-N 1 0 387.568 4.059 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@@H](C)C(C)(C)c2ccccc2)c1 ZINC000163882028 823756585 /nfs/dbraw/zinc/75/65/85/823756585.db2.gz PEXKRWICRUKLKP-IRXDYDNUSA-N 1 0 384.520 4.377 20 0 GIADRO C[C@H](C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)c1cccc(Br)c1 ZINC000461923245 823757524 /nfs/dbraw/zinc/75/75/24/823757524.db2.gz OZJNBWPNAWPHLY-SCLBCKFNSA-N 1 0 393.300 4.111 20 0 GIADRO C[C@@H](Oc1ccc(C(=O)NC2CC[NH+](CC3CC3)CC2)cc1)c1ccccc1 ZINC000191756355 823758253 /nfs/dbraw/zinc/75/82/53/823758253.db2.gz QYUAOJLUEBRWAE-GOSISDBHSA-N 1 0 378.516 4.431 20 0 GIADRO C[C@H](C(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1)c1cccc(Br)c1 ZINC000461925094 823758662 /nfs/dbraw/zinc/75/86/62/823758662.db2.gz ZWDAABDVCBVGSH-JEWRLFTDSA-N 1 0 393.369 4.416 20 0 GIADRO CCCOc1ccccc1Oc1ncccc1CN[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000163914994 823760246 /nfs/dbraw/zinc/76/02/46/823760246.db2.gz XZIOBNBDRLYAAV-ICSRJNTNSA-N 1 0 383.536 4.483 20 0 GIADRO COC1CC[NH+](C2(CNC(=O)Nc3cccc4ccc(C)nc43)CCCC2)CC1 ZINC000574546175 823761300 /nfs/dbraw/zinc/76/13/00/823761300.db2.gz KAJCFHWRDYENSR-UHFFFAOYSA-N 1 0 396.535 4.088 20 0 GIADRO C[NH+](C)CCCC1CCN(C(=O)Nc2cc(F)ccc2OCC2CC2)CC1 ZINC000191774483 823763285 /nfs/dbraw/zinc/76/32/85/823763285.db2.gz RCUQYRXJZBYCAJ-UHFFFAOYSA-N 1 0 377.504 4.200 20 0 GIADRO Cc1nc(C(F)(F)F)sc1C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000461934064 823764048 /nfs/dbraw/zinc/76/40/48/823764048.db2.gz GPNIOOMHJLGXBN-UHFFFAOYSA-N 1 0 397.466 4.112 20 0 GIADRO COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000191777035 823764654 /nfs/dbraw/zinc/76/46/54/823764654.db2.gz BOPLBKJHOWHUNL-CQSZACIVSA-N 1 0 397.947 4.138 20 0 GIADRO CC(C)(C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000191777685 823764780 /nfs/dbraw/zinc/76/47/80/823764780.db2.gz HYKIMJQTSLOPEM-KRWDZBQOSA-N 1 0 398.469 4.340 20 0 GIADRO CC[C@@H](C(=O)N[C@H](C)c1ccc(-n2ccnc2C)cc1)[N@H+](C)Cc1ccccc1 ZINC000574562333 823767625 /nfs/dbraw/zinc/76/76/25/823767625.db2.gz CIHPWJCCVHZCDM-JPYJTQIMSA-N 1 0 390.531 4.269 20 0 GIADRO CCCOc1ccc(C(=O)N2CC[C@H](C[NH+](C)C)C2)c(OCc2ccccc2)c1 ZINC000191794124 823769933 /nfs/dbraw/zinc/76/99/33/823769933.db2.gz FCVAJGFNBMVDIL-HXUWFJFHSA-N 1 0 396.531 4.078 20 0 GIADRO O=C(CC1CCC2(CC1)OCCO2)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000191794559 823770338 /nfs/dbraw/zinc/77/03/38/823770338.db2.gz UPEWKULXAZOCIS-UHFFFAOYSA-N 1 0 386.536 4.325 20 0 GIADRO CCNC(=O)COc1ccc(C[N@H+](C)[C@H](C)c2cc3ccccc3o2)cc1OC ZINC000126038430 823771628 /nfs/dbraw/zinc/77/16/28/823771628.db2.gz FZZDSOUOGFQUPD-MRXNPFEDSA-N 1 0 396.487 4.149 20 0 GIADRO Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCC[N@@H+]1CCC(=O)NC1CCCC1 ZINC000126036418 823771702 /nfs/dbraw/zinc/77/17/02/823771702.db2.gz OPQFVEDNFNMKGV-KRWDZBQOSA-N 1 0 380.964 4.087 20 0 GIADRO Cc1cccc([C@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)c2ccccn2)c1 ZINC000126042507 823773153 /nfs/dbraw/zinc/77/31/53/823773153.db2.gz GTMRTKCIVNOHMF-NRFANRHFSA-N 1 0 380.536 4.042 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)N2CCC[C@H]2Cc2cccc(F)c2)c1 ZINC000064229364 823775804 /nfs/dbraw/zinc/77/58/04/823775804.db2.gz AIBLAGVZIBUOMI-QFIPXVFZSA-N 1 0 383.511 4.194 20 0 GIADRO CCN(C(=O)NCc1cccc(C[N@H+](C)CC)c1)[C@H](C)c1cccc(OC)c1 ZINC000064229174 823775996 /nfs/dbraw/zinc/77/59/96/823775996.db2.gz RAFRFMPHBFDMGC-GOSISDBHSA-N 1 0 383.536 4.440 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)c2sc(C(F)(F)F)nc2C)c1 ZINC000461969091 823776707 /nfs/dbraw/zinc/77/67/07/823776707.db2.gz IJBVMCUKUWDXKW-UHFFFAOYSA-N 1 0 385.455 4.242 20 0 GIADRO COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000191808763 823776811 /nfs/dbraw/zinc/77/68/11/823776811.db2.gz FWLUVQMASHWLSF-HZPDHXFCSA-N 1 0 394.943 4.347 20 0 GIADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cn(Cc2ccccc2)c2ccccc12 ZINC000126062023 823777968 /nfs/dbraw/zinc/77/79/68/823777968.db2.gz ISFCVBURRFCTJR-GCJKJVERSA-N 1 0 375.516 4.102 20 0 GIADRO COc1ccc(-c2nc(C[NH2+][C@@H]3[C@H]4CCCO[C@H]4C3(C)C)cs2)cc1OC ZINC000574604929 823778214 /nfs/dbraw/zinc/77/82/14/823778214.db2.gz SGPACMASNMHWPO-ATZDWAIDSA-N 1 0 388.533 4.121 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)N2CCC[C@H]2c2cccn2C)[NH+]2CCCC2)cc1 ZINC000064237532 823778315 /nfs/dbraw/zinc/77/83/15/823778315.db2.gz MXMITVXKUGXDLA-FCHUYYIVSA-N 1 0 380.536 4.017 20 0 GIADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)C1 ZINC000164142861 823780777 /nfs/dbraw/zinc/78/07/77/823780777.db2.gz ZPRKNLNAXHAWEL-BDAKNGLRSA-N 1 0 397.133 4.252 20 0 GIADRO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)Nc1cccc2c1CCO2 ZINC000574610753 823780880 /nfs/dbraw/zinc/78/08/80/823780880.db2.gz CJNKSYMSFMIYIX-IBGZPJMESA-N 1 0 379.504 4.045 20 0 GIADRO C[C@H](CNC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)CC(F)(F)F ZINC000413461346 823782303 /nfs/dbraw/zinc/78/23/03/823782303.db2.gz UPPKZXTYEYXOAN-FZMZJTMJSA-N 1 0 399.379 4.196 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(Cc3ccccn3)ccc2C)C[C@H]1C ZINC000574620483 823783529 /nfs/dbraw/zinc/78/35/29/823783529.db2.gz ORQAZXALHSPQJK-WIYYLYMNSA-N 1 0 380.536 4.317 20 0 GIADRO Cc1cc([C@](C)(O)C[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)c(C)o1 ZINC000164178880 823784209 /nfs/dbraw/zinc/78/42/09/823784209.db2.gz AEFNJWXBJHZBCO-OAQYLSRUSA-N 1 0 394.918 4.151 20 0 GIADRO CC[NH+](CC)CCSCC(=O)NC1(c2cccc(Br)c2)CCC1 ZINC000461987960 823784842 /nfs/dbraw/zinc/78/48/42/823784842.db2.gz LJNJBCAURRSODY-UHFFFAOYSA-N 1 0 399.398 4.020 20 0 GIADRO CC(C)c1scnc1C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000574626618 823784811 /nfs/dbraw/zinc/78/48/11/823784811.db2.gz IJQFVCTUIZFGLZ-CQSZACIVSA-N 1 0 385.455 4.318 20 0 GIADRO Cc1cc(NC(=O)CCSc2ccccc2Cl)n(C2CC[NH+](C)CC2)n1 ZINC000574627916 823785599 /nfs/dbraw/zinc/78/55/99/823785599.db2.gz DLIAXTQTQUTCPY-UHFFFAOYSA-N 1 0 392.956 4.233 20 0 GIADRO CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000413504274 823788719 /nfs/dbraw/zinc/78/87/19/823788719.db2.gz NKCDOUATWYUCRF-GQGLESIBSA-N 1 0 389.506 4.306 20 0 GIADRO C[NH+](C)C[C@H](CNC(=O)CC1CC(OC(C)(C)C)C1)c1ccc(Cl)cc1 ZINC000574643320 823788820 /nfs/dbraw/zinc/78/88/20/823788820.db2.gz YEMNQZOYLJOVDA-RMXPPQQLSA-N 1 0 380.960 4.085 20 0 GIADRO CCN(C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C1CC(C)(C)C1 ZINC000413512641 823789595 /nfs/dbraw/zinc/78/95/95/823789595.db2.gz XMGMNXBKBWFFIW-UHFFFAOYSA-N 1 0 375.479 4.012 20 0 GIADRO CC(C)CC[C@@H](C)[NH2+]Cc1cccnc1Oc1cccc(S(C)(=O)=O)c1 ZINC000164248934 823789912 /nfs/dbraw/zinc/78/99/12/823789912.db2.gz OFAIMCMMAFYLFU-MRXNPFEDSA-N 1 0 376.522 4.192 20 0 GIADRO CC[NH+](CC)CCSCC(=O)NC[C@H](C)c1c(Cl)cccc1Cl ZINC000462001010 823790225 /nfs/dbraw/zinc/79/02/25/823790225.db2.gz RMAYTKLWELTDHI-ZDUSSCGKSA-N 1 0 377.381 4.288 20 0 GIADRO CCCC[C@H]1CCC[C@H]1[NH2+]Cc1nc(-c2cc(OC)c(OC)c(OC)c2)no1 ZINC000191833504 823790239 /nfs/dbraw/zinc/79/02/39/823790239.db2.gz UHSJCWICKIZKEH-GOEBONIOSA-N 1 0 389.496 4.211 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc3c(c2)CCC3=O)[C@H]1c1cccs1 ZINC000574649339 823791082 /nfs/dbraw/zinc/79/10/82/823791082.db2.gz DVFWFQLNRDRTJI-YWZLYKJASA-N 1 0 383.517 4.082 20 0 GIADRO COc1ccccc1-c1csc(C2CC[NH+](Cc3ccc(CO)o3)CC2)n1 ZINC000191836228 823791237 /nfs/dbraw/zinc/79/12/37/823791237.db2.gz VECKKEAXRLEYOO-UHFFFAOYSA-N 1 0 384.501 4.284 20 0 GIADRO Cc1cccc(NC(=O)C[C@@H](C)[NH2+]Cc2nccn2CCc2ccccc2)c1C ZINC000164272338 823791952 /nfs/dbraw/zinc/79/19/52/823791952.db2.gz PLULKZDYCICSFA-LJQANCHMSA-N 1 0 390.531 4.250 20 0 GIADRO Cc1c2ccccc2oc1[C@H](C)NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000191838599 823792420 /nfs/dbraw/zinc/79/24/20/823792420.db2.gz ZXMUUFQVFYSNMF-ABSDTBQOSA-N 1 0 381.520 4.461 20 0 GIADRO COc1ccc2c(c1)CCC[C@H]2[NH2+][C@H](CCSC)c1nnc2ccccn21 ZINC000164299162 823794234 /nfs/dbraw/zinc/79/42/34/823794234.db2.gz JODRGPOIILVZQE-RTBURBONSA-N 1 0 382.533 4.199 20 0 GIADRO CC[NH+]1CCN(c2ccc(C(=O)N(Cc3ccccc3)[C@@H](C)C3CC3)cc2)CC1 ZINC000462014911 823795352 /nfs/dbraw/zinc/79/53/52/823795352.db2.gz OFCINCNGYVHMTQ-FQEVSTJZSA-N 1 0 391.559 4.269 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)CN(C(=O)OC(C)(C)C)c1ccccc1 ZINC000164331886 823796713 /nfs/dbraw/zinc/79/67/13/823796713.db2.gz LFLUBWDAGOAUDL-UHFFFAOYSA-N 1 0 397.519 4.437 20 0 GIADRO CCc1nn(C)c(CC)c1C[NH+]1CCC(n2c3ccccc3nc2CC)CC1 ZINC000574675881 823798041 /nfs/dbraw/zinc/79/80/41/823798041.db2.gz RSDHGDOJUKHVGK-UHFFFAOYSA-N 1 0 379.552 4.294 20 0 GIADRO COc1ccc(C[NH2+][C@H](Cc2cccnc2)c2cccc(Cl)c2)c(OC)n1 ZINC000574679717 823799155 /nfs/dbraw/zinc/79/91/55/823799155.db2.gz LEISAFXODJDOLJ-LJQANCHMSA-N 1 0 383.879 4.221 20 0 GIADRO CC(=O)Nc1ccc(CNc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)cc1 ZINC000126146267 823799398 /nfs/dbraw/zinc/79/93/98/823799398.db2.gz RUKCAFSTXPICIU-UHFFFAOYSA-N 1 0 394.519 4.072 20 0 GIADRO CSC1(CNC(=O)N(C)[C@H]2CCCC[C@H]2c2ccccc2)CC[NH+](C)CC1 ZINC000413578904 823799994 /nfs/dbraw/zinc/79/99/94/823799994.db2.gz KEYUNTMUGUABFS-PMACEKPBSA-N 1 0 389.609 4.182 20 0 GIADRO COCOc1ccc(OC)cc1CNCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000164400001 823800466 /nfs/dbraw/zinc/80/04/66/823800466.db2.gz IUYMVTWILVHWGF-UHFFFAOYSA-N 1 0 398.547 4.344 20 0 GIADRO COc1ccc(NC(=O)C[C@@H](C)[NH2+]CCc2c[nH]c3c2cccc3C)c(OC)c1 ZINC000164405221 823801007 /nfs/dbraw/zinc/80/10/07/823801007.db2.gz AQMZMJQJSLMHGC-MRXNPFEDSA-N 1 0 395.503 4.043 20 0 GIADRO Cc1cccc2c1OCC[C@H]2NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000191874166 823801276 /nfs/dbraw/zinc/80/12/76/823801276.db2.gz NXFQYWDSDSGWNS-JOCHJYFZSA-N 1 0 393.531 4.125 20 0 GIADRO CSC1(CNC(=O)N[C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)CC[NH+](C)CC1 ZINC000413589958 823801406 /nfs/dbraw/zinc/80/14/06/823801406.db2.gz SSTSUXZWJGXKLI-AEFFLSMTSA-N 1 0 396.000 4.103 20 0 GIADRO CC[NH+](CC)[C@H](C(=O)NCc1ccc(C)cn1)c1cccc(C(F)(F)F)c1 ZINC000574693646 823802741 /nfs/dbraw/zinc/80/27/41/823802741.db2.gz ISOLQVKJSLTQGV-SFHVURJKSA-N 1 0 379.426 4.108 20 0 GIADRO CN(CCOc1ccccc1)C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000574698969 823803042 /nfs/dbraw/zinc/80/30/42/823803042.db2.gz DZDDMOOTACQPGM-JOCHJYFZSA-N 1 0 395.547 4.009 20 0 GIADRO CC(=O)c1ccc(NC(=S)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000064377938 823804282 /nfs/dbraw/zinc/80/42/82/823804282.db2.gz RMGBGCLGVMGCTB-MRXNPFEDSA-N 1 0 387.574 4.149 20 0 GIADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cc(-c3ccccc3C(F)(F)F)on2)C1 ZINC000462033986 823804644 /nfs/dbraw/zinc/80/46/44/823804644.db2.gz QKIQGJKXQNIXOI-AWEZNQCLSA-N 1 0 395.425 4.211 20 0 GIADRO Cc1cccc(N2CC[NH+](CCC(=O)N3CCC[C@H]3c3ccc(F)cc3)CC2)c1 ZINC000462035423 823805116 /nfs/dbraw/zinc/80/51/16/823805116.db2.gz VPXOJCFHFWVBPJ-QHCPKHFHSA-N 1 0 395.522 4.010 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H]1CCOc2c(C)cccc21 ZINC000191890465 823805291 /nfs/dbraw/zinc/80/52/91/823805291.db2.gz CYXQNBOXAVHGHF-OAQYLSRUSA-N 1 0 381.520 4.112 20 0 GIADRO CC[NH+](CC)CCSCC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000462036094 823805474 /nfs/dbraw/zinc/80/54/74/823805474.db2.gz CWAAQIANATZURK-UHFFFAOYSA-N 1 0 378.538 4.132 20 0 GIADRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)NCc3ccco3)cc2)c(C)c1 ZINC000164510526 823806028 /nfs/dbraw/zinc/80/60/28/823806028.db2.gz RPFBTEBXDPESBT-SFHVURJKSA-N 1 0 398.528 4.226 20 0 GIADRO CC(=O)NC1CCC([NH2+][C@H]2C[C@@H](C)CCc3ccc(Br)cc32)CC1 ZINC000574713580 823806518 /nfs/dbraw/zinc/80/65/18/823806518.db2.gz RNOWSFLUFBQWAA-VPZYDGBRSA-N 1 0 393.369 4.500 20 0 GIADRO CCCOc1c(Cl)cc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1OCC ZINC000164535416 823807764 /nfs/dbraw/zinc/80/77/64/823807764.db2.gz VMAXCCJPIBGDAF-QAPCUYQASA-N 1 0 394.943 4.084 20 0 GIADRO Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@H]3CCC[C@@H]3c3ccccc3)CC2)cc1 ZINC000462041070 823808062 /nfs/dbraw/zinc/80/80/62/823808062.db2.gz QBHSCJPLTAQHNL-PKTZIBPZSA-N 1 0 398.572 4.074 20 0 GIADRO COc1ccc(CN(C)C(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2Cl)cc1OC ZINC000126196110 823810118 /nfs/dbraw/zinc/81/01/18/823810118.db2.gz ZXYNXCBZWXEVCN-HUUCEWRRSA-N 1 0 390.911 4.055 20 0 GIADRO C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[NH+]1CCC(N(C)c2ccccc2)CC1 ZINC000126203408 823811233 /nfs/dbraw/zinc/81/12/33/823811233.db2.gz AWJMLBZNEPWKQL-NQIIRXRSSA-N 1 0 397.588 4.401 20 0 GIADRO C[NH+](C)C[C@@H](NC(=O)N[C@@H]1CCc2sc(Cl)cc21)c1ccc(F)cc1 ZINC000462049166 823811705 /nfs/dbraw/zinc/81/17/05/823811705.db2.gz WSTXBMSJLDMTMK-HUUCEWRRSA-N 1 0 381.904 4.130 20 0 GIADRO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@@H](C)C1CCOCC1 ZINC000126214813 823813634 /nfs/dbraw/zinc/81/36/34/823813634.db2.gz BRJDMXZDPWFIKV-NEPJUHHUSA-N 1 0 392.849 4.481 20 0 GIADRO O=C(c1cc(-c2ccccc2C(F)(F)F)on1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000462058196 823815972 /nfs/dbraw/zinc/81/59/72/823815972.db2.gz WWVQLBKZCGNAKU-AWEZNQCLSA-N 1 0 393.409 4.061 20 0 GIADRO COc1ccc(CN(C)C(=O)[C@H](C)[NH2+][C@H](C)c2ccc(Cl)cc2)cc1OC ZINC000126235750 823817903 /nfs/dbraw/zinc/81/79/03/823817903.db2.gz ZVSUHUFVRWPCME-CABCVRRESA-N 1 0 390.911 4.055 20 0 GIADRO CC1(C(=O)NC2CCN(c3cccs3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000164754860 823818703 /nfs/dbraw/zinc/81/87/03/823818703.db2.gz BEBVWJZRTSNMLM-UHFFFAOYSA-N 1 0 397.588 4.135 20 0 GIADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1 ZINC000064441743 823819531 /nfs/dbraw/zinc/81/95/31/823819531.db2.gz FRZUPQYBBCBJMA-LJQANCHMSA-N 1 0 395.547 4.488 20 0 GIADRO CS(=O)(=O)CC[NH2+][C@H](Cc1cccc(F)c1)c1ccc(Cl)c(Cl)c1 ZINC000164811041 823820642 /nfs/dbraw/zinc/82/06/42/823820642.db2.gz NCJFXWKIIISRAM-QGZVFWFLSA-N 1 0 390.307 4.051 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC[C@H]3CCO[C@@H]3c3ccccc3)ccc21 ZINC000574769696 823821876 /nfs/dbraw/zinc/82/18/76/823821876.db2.gz MSPPMMMZBXEGSH-STZQEDGTSA-N 1 0 379.504 4.135 20 0 GIADRO Cc1noc(Cl)c1CCC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000064458774 823822919 /nfs/dbraw/zinc/82/29/19/823822919.db2.gz IRNQBKLLGHWHAW-OAHLLOKOSA-N 1 0 389.927 4.117 20 0 GIADRO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C(=O)NCC1(C)CCC(C)(C)CC1 ZINC000413719243 823824539 /nfs/dbraw/zinc/82/45/39/823824539.db2.gz FRZFSYADOWKOIL-PMACEKPBSA-N 1 0 386.584 4.322 20 0 GIADRO CC[C@@H](C(=O)N1CCC(c2nc(-c3ccncc3)cs2)CC1)[NH+](CC)CC ZINC000462089570 823825099 /nfs/dbraw/zinc/82/50/99/823825099.db2.gz BKIKEGZYPUWFLE-IBGZPJMESA-N 1 0 386.565 4.032 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@H]2CCN(Cc3ccccn3)C[C@@H]2C)ccc1SC ZINC000126270114 823825656 /nfs/dbraw/zinc/82/56/56/823825656.db2.gz QPKJUESPBHUWPO-ZWOKBUDYSA-N 1 0 385.577 4.373 20 0 GIADRO O=C(N[C@H]1CC[C@@H](c2ccc(Cl)cc2)C1)N1CCC([NH+]2CCCC2)CC1 ZINC000413727242 823826466 /nfs/dbraw/zinc/82/64/66/823826466.db2.gz WVWLNDBHUHJGLG-MJGOQNOKSA-N 1 0 375.944 4.246 20 0 GIADRO CC(=O)c1ccc(Oc2ccc(C(=O)N(C)[C@H]3CC[N@@H+](C)C[C@H]3C)cc2)cc1 ZINC000126281084 823828849 /nfs/dbraw/zinc/82/88/49/823828849.db2.gz NNLPQSPKBGKBFK-ZHRRBRCNSA-N 1 0 380.488 4.094 20 0 GIADRO COc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3C[C@H]3c3cccc(Cl)c3)CC2)cc1 ZINC000064487515 823828941 /nfs/dbraw/zinc/82/89/41/823828941.db2.gz SWAZFJXHIKKNLG-VXKWHMMOSA-N 1 0 398.934 4.187 20 0 GIADRO CCC1(CNC(=O)c2cnc(C)nc2C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000462104949 823829120 /nfs/dbraw/zinc/82/91/20/823829120.db2.gz MLEQQBPFIQUVAY-UHFFFAOYSA-N 1 0 392.547 4.085 20 0 GIADRO C[C@@H](CNC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1)CC(F)(F)F ZINC000413739241 823829216 /nfs/dbraw/zinc/82/92/16/823829216.db2.gz BEWMYKWWHLBQBX-HZPDHXFCSA-N 1 0 377.495 4.261 20 0 GIADRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)c2ccc3c(c2)COC3)C1 ZINC000064488976 823829555 /nfs/dbraw/zinc/82/95/55/823829555.db2.gz UMSKLUQNXGTFDY-ROUUACIJSA-N 1 0 378.516 4.125 20 0 GIADRO C[N@H+](CCCCCc1cc(-c2ccccc2)no1)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000191981430 823830596 /nfs/dbraw/zinc/83/05/96/823830596.db2.gz ZSPOZYQYURZWRP-FQEVSTJZSA-N 1 0 382.504 4.472 20 0 GIADRO Cc1nc2c(s1)[C@@H]([NH2+][C@@H]1CCCN(c3ccccc3Cl)C1=O)CCC2 ZINC000165065297 823832910 /nfs/dbraw/zinc/83/29/10/823832910.db2.gz GMHQGOBQCREWBO-JKSUJKDBSA-N 1 0 375.925 4.268 20 0 GIADRO CC[C@H](Cc1cccc(Br)c1)C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000462115506 823832782 /nfs/dbraw/zinc/83/27/82/823832782.db2.gz BMAILUDKACHSOF-NVXWUHKLSA-N 1 0 395.385 4.207 20 0 GIADRO COc1cc(C)ccc1Oc1ccc(NC(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)cn1 ZINC000165086731 823833110 /nfs/dbraw/zinc/83/31/10/823833110.db2.gz DNUHDDRIDIZWPT-DLBZAZTESA-N 1 0 383.492 4.155 20 0 GIADRO C[C@H]1CCn2ncc(C(=O)Nc3ccccc3C[N@H+](C)C3CCCCC3)c2C1 ZINC000574811924 823833229 /nfs/dbraw/zinc/83/32/29/823833229.db2.gz LOJZZUOBDBQMRT-KRWDZBQOSA-N 1 0 380.536 4.482 20 0 GIADRO C[C@H](CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)CC(F)(F)F ZINC000413751331 823833424 /nfs/dbraw/zinc/83/34/24/823833424.db2.gz UOWGHXDHCQRZJF-UHOSZYNNSA-N 1 0 397.485 4.271 20 0 GIADRO CCN(C(=O)NC[C@H](C)CC(F)(F)F)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000413752116 823833723 /nfs/dbraw/zinc/83/37/23/823833723.db2.gz VQPJRAZOHITTTB-RYRKJORJSA-N 1 0 385.474 4.442 20 0 GIADRO COc1cccc(-c2c[nH]cc2C(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000574817053 823833852 /nfs/dbraw/zinc/83/38/52/823833852.db2.gz PSIGFSGNLREHEQ-ZHRRBRCNSA-N 1 0 377.488 4.112 20 0 GIADRO Cc1cc(-n2ccnc2)ccc1C[NH+]1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC000192014723 823835150 /nfs/dbraw/zinc/83/51/50/823835150.db2.gz JUQJTOSQJBUOIO-UHFFFAOYSA-N 1 0 384.524 4.012 20 0 GIADRO C[NH+](C)CC1CCN(c2ccccc2NC(=O)[C@H]2C[C@]2(F)c2ccccc2)CC1 ZINC000413758138 823835136 /nfs/dbraw/zinc/83/51/36/823835136.db2.gz NPKXSFFBXKEXGR-YKSBVNFPSA-N 1 0 395.522 4.288 20 0 GIADRO CCn1cc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c2ccccc21 ZINC000064521849 823835435 /nfs/dbraw/zinc/83/54/35/823835435.db2.gz PVXMIMPWNMEOCC-KRWDZBQOSA-N 1 0 381.545 4.365 20 0 GIADRO C[C@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)[C@H](C)c1nc2ccccc2s1 ZINC000165129314 823835670 /nfs/dbraw/zinc/83/56/70/823835670.db2.gz OWPCIYAUQOOYKR-HOTGVXAUSA-N 1 0 381.545 4.322 20 0 GIADRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc(Br)c1 ZINC000064522202 823835982 /nfs/dbraw/zinc/83/59/82/823835982.db2.gz DFZCORUKCGLWEJ-CQSZACIVSA-N 1 0 393.350 4.153 20 0 GIADRO CSc1cc(O)ccc1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000574830760 823836220 /nfs/dbraw/zinc/83/62/20/823836220.db2.gz YIQDMHWLOIRHFR-INIZCTEOSA-N 1 0 392.471 4.210 20 0 GIADRO CO[C@](C)(C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000462128864 823838215 /nfs/dbraw/zinc/83/82/15/823838215.db2.gz IHMFYJBIBRUCIP-QSFXBCCZSA-N 1 0 398.469 4.020 20 0 GIADRO CC(C)OCc1cccc(NC(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000064543858 823840324 /nfs/dbraw/zinc/84/03/24/823840324.db2.gz RTJQCAURTAUSRC-GOSISDBHSA-N 1 0 381.520 4.180 20 0 GIADRO C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1)C(=O)Nc1ccc(F)c(F)c1 ZINC000192040597 823840854 /nfs/dbraw/zinc/84/08/54/823840854.db2.gz XSZVPYNZXVAOAK-FJNPEDAXSA-N 1 0 380.822 4.065 20 0 GIADRO CCc1ccc([C@H](CNC(=O)Nc2cccc(-c3noc(C)n3)c2)[NH+](C)C)cc1 ZINC000064545440 823840898 /nfs/dbraw/zinc/84/08/98/823840898.db2.gz VERPAMDZKVTKSA-FQEVSTJZSA-N 1 0 393.491 4.032 20 0 GIADRO C[C@H](CC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(F)c(Br)c1 ZINC000462136493 823840984 /nfs/dbraw/zinc/84/09/84/823840984.db2.gz CNDGFSYVVQLQCA-VNHYZAJKSA-N 1 0 385.321 4.023 20 0 GIADRO O=C1Nc2ccccc2C12CCC([NH2+]CCCCOCCc1ccccc1)CC2 ZINC000165257347 823841401 /nfs/dbraw/zinc/84/14/01/823841401.db2.gz CFURZEAOYNBBRI-UHFFFAOYSA-N 1 0 392.543 4.448 20 0 GIADRO COc1ccc(Cl)c(NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000064547790 823842022 /nfs/dbraw/zinc/84/20/22/823842022.db2.gz UPQWDPMJRKCPOM-UHFFFAOYSA-N 1 0 387.911 4.382 20 0 GIADRO COc1ccc(Cl)c(NC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000064560960 823844456 /nfs/dbraw/zinc/84/44/56/823844456.db2.gz FYPYZIGOHOMOCI-INIZCTEOSA-N 1 0 379.913 4.369 20 0 GIADRO CN1CCCc2cc(NC(=O)N3CCC(C[NH+]4CCCCCC4)CC3)ccc21 ZINC000064561701 823844988 /nfs/dbraw/zinc/84/49/88/823844988.db2.gz BJGFURXEFHOYBO-UHFFFAOYSA-N 1 0 384.568 4.189 20 0 GIADRO C[C@@H]([NH2+]C1CCN(Cc2ccc(F)cc2)CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000165359199 823845675 /nfs/dbraw/zinc/84/56/75/823845675.db2.gz UPVXPOUWEOYGPR-MRXNPFEDSA-N 1 0 395.522 4.371 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc2c(c1)CCCN2C)c1ccccc1 ZINC000064562342 823845711 /nfs/dbraw/zinc/84/57/11/823845711.db2.gz BWMUQUSVHYXXCP-QFIPXVFZSA-N 1 0 380.536 4.274 20 0 GIADRO CC[C@@H](CNC(=O)Nc1ccc2c(c1)CCCN2C)[N@@H+]1CCc2ccccc2C1 ZINC000064562439 823845853 /nfs/dbraw/zinc/84/58/53/823845853.db2.gz KRIZCKDMXMVBJZ-QFIPXVFZSA-N 1 0 392.547 4.027 20 0 GIADRO CSc1ccc(Cl)cc1NC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000064562832 823846345 /nfs/dbraw/zinc/84/63/45/823846345.db2.gz YMQKVFRWQMWMKT-UHFFFAOYSA-N 1 0 390.940 4.243 20 0 GIADRO COCc1cc([C@H](C)[NH2+]C2CCN(Cc3ccc(F)cc3)CC2)ccc1OC ZINC000165380426 823846509 /nfs/dbraw/zinc/84/65/09/823846509.db2.gz GCKJWDWMAJHDFG-KRWDZBQOSA-N 1 0 386.511 4.296 20 0 GIADRO CCC(=O)Nc1ccc(Cl)c(NC(=O)NC[C@H](c2cccs2)[NH+](C)C)c1 ZINC000126353954 823846858 /nfs/dbraw/zinc/84/68/58/823846858.db2.gz MERQFQZKACTAIE-OAHLLOKOSA-N 1 0 394.928 4.174 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)CC1CCC(C(F)(F)F)CC1 ZINC000462157387 823848149 /nfs/dbraw/zinc/84/81/49/823848149.db2.gz GQSRSFSRILMORM-GSHBMFQSSA-N 1 0 382.470 4.382 20 0 GIADRO C[C@H]([NH2+]C1CCN(Cc2ccccc2Cl)CC1)c1ccc(NC(N)=O)cc1 ZINC000165418238 823848242 /nfs/dbraw/zinc/84/82/42/823848242.db2.gz LWVPGBDGHNWGJM-HNNXBMFYSA-N 1 0 386.927 4.146 20 0 GIADRO COCCSc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)cc1 ZINC000165452432 823849255 /nfs/dbraw/zinc/84/92/55/823849255.db2.gz SDIIYZBKYHYZQD-IRXDYDNUSA-N 1 0 382.533 4.418 20 0 GIADRO CN(C(=O)c1csc(CC[NH3+])n1)[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000574876940 823849524 /nfs/dbraw/zinc/84/95/24/823849524.db2.gz FVHSTVHQKJURDW-SFHVURJKSA-N 1 0 377.941 4.301 20 0 GIADRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)NCc1ccc2sccc2c1 ZINC000462164196 823850245 /nfs/dbraw/zinc/85/02/45/823850245.db2.gz YZZXQCPYHBOMOM-UHFFFAOYSA-N 1 0 385.508 4.314 20 0 GIADRO O=C(N[C@H]1CC[C@H](Nc2ccccn2)CC1)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000574885307 823851333 /nfs/dbraw/zinc/85/13/33/823851333.db2.gz NSNMYYYVKJMIQJ-ISQLDUATSA-N 1 0 375.516 4.215 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(c2c(F)cccc2F)C1=O)c1cccc(N2CCCC2)c1 ZINC000126373785 823851287 /nfs/dbraw/zinc/85/12/87/823851287.db2.gz SPOOOVGCQPUCEU-MGPUTAFESA-N 1 0 385.458 4.021 20 0 GIADRO C[C@H]([NH2+]CCNC(=O)c1ccccc1Cl)c1ccc(F)cc1Br ZINC000165505050 823851363 /nfs/dbraw/zinc/85/13/63/823851363.db2.gz KZEZWFJPJZIAQM-NSHDSACASA-N 1 0 399.691 4.322 20 0 GIADRO COc1ccc(C[NH2+]CC(=O)Nc2ccc(F)cc2)cc1OCc1ccccc1 ZINC000064614831 823852839 /nfs/dbraw/zinc/85/28/39/823852839.db2.gz YECFNZKRGDUMST-UHFFFAOYSA-N 1 0 394.446 4.142 20 0 GIADRO CC(C)c1nn(C)c2sc(C(=O)N[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C)cc12 ZINC000462173033 823853468 /nfs/dbraw/zinc/85/34/68/823853468.db2.gz ZRTHDECOJIUAIC-CRAIPNDOSA-N 1 0 396.560 4.009 20 0 GIADRO CC[C@@H]([NH2+]CC(=O)N1CCC[C@@H]1c1ccc(OC)c(OC)c1)c1ccc(C)cc1 ZINC000126385224 823853551 /nfs/dbraw/zinc/85/35/51/823853551.db2.gz UTQBVZKQZBSBPF-NHCUHLMSSA-N 1 0 396.531 4.417 20 0 GIADRO Cc1ccc(C)c(NC(=O)C[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000192082883 823854514 /nfs/dbraw/zinc/85/45/14/823854514.db2.gz OBMOTDYDNUEVSY-FXAWDEMLSA-N 1 0 376.859 4.154 20 0 GIADRO CC(=O)Nc1ccc(CC[NH2+][C@H](C)c2ccc(F)c(Br)c2)cc1 ZINC000165598414 823854874 /nfs/dbraw/zinc/85/48/74/823854874.db2.gz BVOOCSFVOFFXQQ-GFCCVEGCSA-N 1 0 379.273 4.440 20 0 GIADRO Cc1c(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)cccc1-c1ccccn1 ZINC000165612278 823855266 /nfs/dbraw/zinc/85/52/66/823855266.db2.gz OLWHMRZCYLAXRL-UHFFFAOYSA-N 1 0 375.472 4.250 20 0 GIADRO CN(C)c1nc2cc(NC(=O)N3CCC[C@@H](C[NH+]4CCCCCC4)C3)ccc2o1 ZINC000165619368 823855853 /nfs/dbraw/zinc/85/58/53/823855853.db2.gz VQZNQLJIWDGXHO-KRWDZBQOSA-N 1 0 399.539 4.014 20 0 GIADRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)N[C@H](c1ccccc1)C1CC1 ZINC000064643972 823856384 /nfs/dbraw/zinc/85/63/84/823856384.db2.gz WBSXVVQNMSAABG-LAUBAEHRSA-N 1 0 383.561 4.411 20 0 GIADRO COc1cccc(-c2n[nH]cc2C[NH2+]C[C@H]2CCCO[C@H]2c2ccccc2)c1 ZINC000165636348 823856386 /nfs/dbraw/zinc/85/63/86/823856386.db2.gz CZKWGFFXWJMCKY-XXBNENTESA-N 1 0 377.488 4.343 20 0 GIADRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)N1CCC[C@@H]1C1CCCC1 ZINC000064644323 823856887 /nfs/dbraw/zinc/85/68/87/823856887.db2.gz APBWAPWAPUAOPN-YLJYHZDGSA-N 1 0 375.582 4.324 20 0 GIADRO O=C(NCCc1ccc(Cl)cc1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000064644498 823856898 /nfs/dbraw/zinc/85/68/98/823856898.db2.gz DINMQHRCRZXIRK-KRWDZBQOSA-N 1 0 391.968 4.155 20 0 GIADRO CC[C@@H]([NH2+][C@H](C)c1ccccc1OC)c1ccccc1OCC(=O)N1CCCC1 ZINC000165650501 823856925 /nfs/dbraw/zinc/85/69/25/823856925.db2.gz CGQVACAWFSLXIL-WIYYLYMNSA-N 1 0 396.531 4.498 20 0 GIADRO CC(C)(C)C(=O)N1CCC(C[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000192091510 823857411 /nfs/dbraw/zinc/85/74/11/823857411.db2.gz WNLMSGZDCCWEPJ-OALUTQOASA-N 1 0 396.934 4.183 20 0 GIADRO Cc1csc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1Br ZINC000192091781 823857422 /nfs/dbraw/zinc/85/74/22/823857422.db2.gz LYJISSFRLSVHJZ-SWLSCSKDSA-N 1 0 393.350 4.069 20 0 GIADRO CC[C@@H]([NH2+][C@H](C)c1cncc(F)c1)c1ccccc1OCC(=O)N1CCCC1 ZINC000165658236 823857414 /nfs/dbraw/zinc/85/74/14/823857414.db2.gz NQDBWRAYQJZSRP-OXQOHEQNSA-N 1 0 385.483 4.024 20 0 GIADRO COc1ccc(C)cc1[C@@H](C)[NH2+]CCCc1nnc(SC)n1CC(C)C ZINC000165664190 823857435 /nfs/dbraw/zinc/85/74/35/823857435.db2.gz IAFXFERSJLFZAY-MRXNPFEDSA-N 1 0 376.570 4.256 20 0 GIADRO CCc1nc(C)c([C@H](C)[NH2+][C@H](CC)c2ccccc2OCC(=O)N(C)C)s1 ZINC000165672199 823857877 /nfs/dbraw/zinc/85/78/77/823857877.db2.gz UXEQYCFFSSXFJV-WMLDXEAASA-N 1 0 389.565 4.283 20 0 GIADRO CC[C@@H]([NH2+][C@H](C)c1ccc(OC)cc1F)c1ccccc1OCC(=O)N(C)C ZINC000165674188 823857966 /nfs/dbraw/zinc/85/79/66/823857966.db2.gz JECBAIVVSKGPCV-FOIQADDNSA-N 1 0 388.483 4.103 20 0 GIADRO Fc1cc([C@H]2OCC[C@H]2[NH2+]CCOCC(F)(F)C(F)(F)F)ccc1Cl ZINC000192097319 823858929 /nfs/dbraw/zinc/85/89/29/823858929.db2.gz IZORUFXALDWHAN-CHWSQXEVSA-N 1 0 391.739 4.113 20 0 GIADRO CC[C@@H]([NH2+][C@H](CC)c1ccccc1OCC(=O)N(C)C)c1ccc2c(c1)CCO2 ZINC000165686787 823858969 /nfs/dbraw/zinc/85/89/69/823858969.db2.gz FMGIZTFWYJNNEN-NHCUHLMSSA-N 1 0 396.531 4.281 20 0 GIADRO CC[C@@H]([NH2+][C@@H](C)c1ccnc(Cl)c1)c1ccccc1OCC(=O)N(C)C ZINC000165694057 823859359 /nfs/dbraw/zinc/85/93/59/823859359.db2.gz SNGVLXVJQCLMNO-WMLDXEAASA-N 1 0 375.900 4.004 20 0 GIADRO CSc1ccc(NC(=O)C[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000192103170 823860567 /nfs/dbraw/zinc/86/05/67/823860567.db2.gz GLAXCOQUAIAKEX-PKOBYXMFSA-N 1 0 394.899 4.259 20 0 GIADRO Cc1sc(-c2ccco2)nc1C(=O)Nc1ccc(OCC[NH+](C)C)cc1F ZINC000413895402 823861475 /nfs/dbraw/zinc/86/14/75/823861475.db2.gz AEAZLZUAOZVUAS-UHFFFAOYSA-N 1 0 389.452 4.043 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)CC2CCC(C(F)(F)F)CC2)c(F)c1 ZINC000413898091 823862411 /nfs/dbraw/zinc/86/24/11/823862411.db2.gz GDCOUNRRZRTGEJ-UHFFFAOYSA-N 1 0 390.421 4.463 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)c2cc(C3CC3)nc3ccccc32)c(F)c1 ZINC000413902687 823863066 /nfs/dbraw/zinc/86/30/66/823863066.db2.gz PFUJUDARGZWMFV-UHFFFAOYSA-N 1 0 393.462 4.444 20 0 GIADRO C[C@@H]([NH2+]C1CCN(CC(F)F)CC1)c1cccc(OCc2ccccn2)c1 ZINC000165817315 823863803 /nfs/dbraw/zinc/86/38/03/823863803.db2.gz IFWQYXQQJIDWOO-MRXNPFEDSA-N 1 0 375.463 4.041 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)[C@H]2C[C@H]2c2ccccc2Cl)c(F)c1 ZINC000413906828 823863981 /nfs/dbraw/zinc/86/39/81/823863981.db2.gz ZMTNMSTVBSLFIU-HOTGVXAUSA-N 1 0 376.859 4.162 20 0 GIADRO CC(C)Oc1ccc([C@H](CNC(=O)N2CCC[C@H]2c2ccccn2)[NH+](C)C)cc1 ZINC000574935921 823864340 /nfs/dbraw/zinc/86/43/40/823864340.db2.gz ALLSNMZERREEIZ-VXKWHMMOSA-N 1 0 396.535 4.018 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)C1(C(F)F)CCCC1)c1cccc(C(F)(F)F)c1 ZINC000574941699 823865664 /nfs/dbraw/zinc/86/56/64/823865664.db2.gz KLFJHXHENCPRFN-AWEZNQCLSA-N 1 0 378.385 4.250 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N(C)Cc1ccccc1)c1ccc(Oc2cccnc2)cc1 ZINC000574940676 823865805 /nfs/dbraw/zinc/86/58/05/823865805.db2.gz SFMZSDXHQLFEKG-GOSISDBHSA-N 1 0 375.472 4.183 20 0 GIADRO Cc1ccc(S[C@H](C)C(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000126433182 823865940 /nfs/dbraw/zinc/86/59/40/823865940.db2.gz ZHJMEOTYPGNOSY-GOSISDBHSA-N 1 0 383.561 4.246 20 0 GIADRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1 ZINC000165925477 823866289 /nfs/dbraw/zinc/86/62/89/823866289.db2.gz IXKJMGKMIIHXNG-MSOLQXFVSA-N 1 0 398.528 4.478 20 0 GIADRO COC[C@@H]([NH2+][C@H](C)c1sc(Cc2ccc(OC)c(OC)c2)nc1C)C(C)C ZINC000165941487 823866572 /nfs/dbraw/zinc/86/65/72/823866572.db2.gz UYSXFRHQDWSWQJ-RHSMWYFYSA-N 1 0 392.565 4.381 20 0 GIADRO COCC[N@H+](C)CC[C@H](N[C@@H](C)c1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000165990241 823868014 /nfs/dbraw/zinc/86/80/14/823868014.db2.gz IPVINDPFKSKHOW-UGKGYDQZSA-N 1 0 398.547 4.208 20 0 GIADRO CCCOc1ccc(-c2noc([C@]3(F)CC[N@@H+](C(C)(C)C)C3)n2)cc1OC ZINC000574946814 823868375 /nfs/dbraw/zinc/86/83/75/823868375.db2.gz ZRBUXRVCYNQWOM-FQEVSTJZSA-N 1 0 377.460 4.203 20 0 GIADRO CC[NH+](CC)C[C@H]1CCN(C(=O)C[C@@H](C)c2ccc(F)c(Br)c2)C1 ZINC000462204363 823869326 /nfs/dbraw/zinc/86/93/26/823869326.db2.gz UZTUKAFGOGNDLY-HUUCEWRRSA-N 1 0 399.348 4.272 20 0 GIADRO COc1ccc([C@H](C)CC[NH2+][C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)cc1 ZINC000166092162 823869606 /nfs/dbraw/zinc/86/96/06/823869606.db2.gz UPKJMFSKBJZOKX-HUUCEWRRSA-N 1 0 379.497 4.082 20 0 GIADRO CCOc1ccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c(C(F)(F)F)c1 ZINC000166082053 823869609 /nfs/dbraw/zinc/86/96/09/823869609.db2.gz PTGNKWQQUGIKMY-GUYCJALGSA-N 1 0 385.430 4.052 20 0 GIADRO CCC[C@H](NC(=O)C[NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000192129864 823870297 /nfs/dbraw/zinc/87/02/97/823870297.db2.gz ZRRBXYBCXRILPR-JAXLGGSGSA-N 1 0 388.458 4.042 20 0 GIADRO CC1CC[NH+](C2CCC(NC(=O)Nc3cncc(Br)c3)CC2)CC1 ZINC000126450498 823870614 /nfs/dbraw/zinc/87/06/14/823870614.db2.gz HFSJTLHXNLDJHX-UHFFFAOYSA-N 1 0 395.345 4.009 20 0 GIADRO Cc1noc(C)c1CCC[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000166155916 823871191 /nfs/dbraw/zinc/87/11/91/823871191.db2.gz CZWZBNGFLQDHGL-KRWDZBQOSA-N 1 0 379.298 4.490 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)CC(=O)Nc2ccccc2C(F)(F)F)C12CCC2 ZINC000166172631 823871605 /nfs/dbraw/zinc/87/16/05/823871605.db2.gz ULMAOSREXKKJHR-RRQGHBQHSA-N 1 0 384.442 4.360 20 0 GIADRO COc1ccc([C@H](C)[NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)c(OC)c1 ZINC000166181836 823871647 /nfs/dbraw/zinc/87/16/47/823871647.db2.gz VYHMLASEASECHZ-HNNXBMFYSA-N 1 0 390.474 4.297 20 0 GIADRO Cc1nc2c(s1)[C@@H]([NH2+]C1CCN(Cc3ccc(F)c(F)c3)CC1)CCC2 ZINC000166179279 823871807 /nfs/dbraw/zinc/87/18/07/823871807.db2.gz NCNAKJLKQBJGSR-IBGZPJMESA-N 1 0 377.504 4.361 20 0 GIADRO Cc1noc(C)c1CC[N@@H+]1CCC[C@@H]1c1ccc(I)cc1 ZINC000166209106 823872843 /nfs/dbraw/zinc/87/28/43/823872843.db2.gz SRGDVSSTDQDNLA-QGZVFWFLSA-N 1 0 396.272 4.276 20 0 GIADRO CCc1c(NC(=O)c2ccc(C[NH+](C)C)cc2)cnn1-c1cccc(Cl)c1 ZINC000192133914 823872830 /nfs/dbraw/zinc/87/28/30/823872830.db2.gz VMORSIAOBMJZSG-UHFFFAOYSA-N 1 0 382.895 4.402 20 0 GIADRO Cn1cc(C[C@@H]2CC[N@H+](Cc3coc(-c4ccc(C(F)(F)F)cc4)n3)C2)cn1 ZINC000166235250 823873359 /nfs/dbraw/zinc/87/33/59/823873359.db2.gz ZLVCOOPNHWOSPR-AWEZNQCLSA-N 1 0 390.409 4.159 20 0 GIADRO C[NH+](C)Cc1ccc(NC(=O)CCOc2cccc(Br)c2)c(F)c1 ZINC000413944269 823873636 /nfs/dbraw/zinc/87/36/36/823873636.db2.gz ZIHKUJVRUKAOHB-UHFFFAOYSA-N 1 0 395.272 4.057 20 0 GIADRO O=C1CCCCN1c1ccc(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)cc1 ZINC000166275581 823873882 /nfs/dbraw/zinc/87/38/82/823873882.db2.gz SJTQZZGILCCNPJ-NZQKXSOJSA-N 1 0 378.516 4.461 20 0 GIADRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)C12CCC2 ZINC000166264090 823874022 /nfs/dbraw/zinc/87/40/22/823874022.db2.gz DLTHXFKCZOOHTA-ZLGUVYLKSA-N 1 0 391.577 4.401 20 0 GIADRO Cc1cccc(C)c1NC(=O)CCC[NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192137477 823874399 /nfs/dbraw/zinc/87/43/99/823874399.db2.gz ZLFUUUIPVGZCNA-DENIHFKCSA-N 1 0 388.458 4.420 20 0 GIADRO Cc1onc(-c2ccc(F)cc2)c1C(=O)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000064735624 823875104 /nfs/dbraw/zinc/87/51/04/823875104.db2.gz KWFFHTBYUNGJDW-ZRGWGRIASA-N 1 0 385.483 4.267 20 0 GIADRO CC[C@@H](C)n1ncc(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1C1CC1 ZINC000126468324 823875747 /nfs/dbraw/zinc/87/57/47/823875747.db2.gz STBWCFPAFUBELU-QUCCMNQESA-N 1 0 394.563 4.026 20 0 GIADRO CC(C)(C)c1nc2cc(NC(=O)C3CC[NH+]([C@@H]4CCSC4)CC3)ccc2[nH]1 ZINC000574970172 823876585 /nfs/dbraw/zinc/87/65/85/823876585.db2.gz ZIAQTTWRIYGVBG-MRXNPFEDSA-N 1 0 386.565 4.016 20 0 GIADRO Cc1cc(NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)ccc1Oc1ccncc1 ZINC000574970835 823876653 /nfs/dbraw/zinc/87/66/53/823876653.db2.gz QKWDENYXNJAAII-LJQANCHMSA-N 1 0 397.544 4.338 20 0 GIADRO Cc1cc(Cl)ccc1NC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192140328 823876602 /nfs/dbraw/zinc/87/66/02/823876602.db2.gz YOGORJLELJKXKQ-GESALYCCSA-N 1 0 394.849 4.373 20 0 GIADRO C[C@@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000126472242 823876617 /nfs/dbraw/zinc/87/66/17/823876617.db2.gz VRBBTQAFLJRSJR-JSGCOSHPSA-N 1 0 381.307 4.275 20 0 GIADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000574972548 823877218 /nfs/dbraw/zinc/87/72/18/823877218.db2.gz UTLGFRAIZCWXBW-WMLDXEAASA-N 1 0 380.517 4.007 20 0 GIADRO COc1ccc2c(C[NH2+][C@@H](C)c3cccc(N4CCCC4)c3)cc(=O)oc2c1 ZINC000126473359 823877550 /nfs/dbraw/zinc/87/75/50/823877550.db2.gz XWAQAUBGYICVHK-INIZCTEOSA-N 1 0 378.472 4.253 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1ccc(SCC(F)(F)F)cc1 ZINC000166465778 823877732 /nfs/dbraw/zinc/87/77/32/823877732.db2.gz NLUNXSDWHJIJQE-GOEBONIOSA-N 1 0 398.498 4.394 20 0 GIADRO Fc1ccc([C@H](Cn2cnc3ccccc32)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166490021 823878448 /nfs/dbraw/zinc/87/84/48/823878448.db2.gz RVEIKQONUATSTI-SJBKTWHCSA-N 1 0 378.495 4.133 20 0 GIADRO CCn1c(C[NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)nc2cc(F)ccc21 ZINC000192144447 823878955 /nfs/dbraw/zinc/87/89/55/823878955.db2.gz WSZIBTPAUGLMDM-UZLBHIALSA-N 1 0 375.394 4.093 20 0 GIADRO Cc1sc(NC(=O)C[NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)c(C)c1C ZINC000192144816 823879065 /nfs/dbraw/zinc/87/90/65/823879065.db2.gz MUWQNCLSRPUICD-AEFFLSMTSA-N 1 0 380.460 4.010 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@@H]2CCCN(c3cnn(C)c3)C2)ccc1SC(F)F ZINC000166623420 823879906 /nfs/dbraw/zinc/87/99/06/823879906.db2.gz JMOOZEBDYACVAO-DZGCQCFKSA-N 1 0 396.507 4.063 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@@H]2CCCN(c3cnn(C)c3)C2)ccc1SC(F)F ZINC000166623532 823880072 /nfs/dbraw/zinc/88/00/72/823880072.db2.gz JMOOZEBDYACVAO-UKRRQHHQSA-N 1 0 396.507 4.063 20 0 GIADRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)Nc1cccc(N2CCCC2)c1 ZINC000064754315 823881143 /nfs/dbraw/zinc/88/11/43/823881143.db2.gz CRVQSEMMPIJBOS-SFHVURJKSA-N 1 0 398.576 4.382 20 0 GIADRO COc1cc([C@H](C)[NH2+]C[C@@H]2CC3(CCC3)C(=O)O2)ccc1OCc1ccccc1 ZINC000192151083 823881508 /nfs/dbraw/zinc/88/15/08/823881508.db2.gz DCSAYYXCCXLQQF-PXNSSMCTSA-N 1 0 395.499 4.411 20 0 GIADRO Fc1ccc(-n2ccc(CC[NH2+][C@H](C[C@H]3CCOC3)c3ccccc3)n2)cc1 ZINC000166723586 823881877 /nfs/dbraw/zinc/88/18/77/823881877.db2.gz GBFXHARSACUEKR-WZONZLPQSA-N 1 0 379.479 4.311 20 0 GIADRO COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]C[C@@H]2CC3(CCC3)C(=O)O2)cc1 ZINC000192153932 823882576 /nfs/dbraw/zinc/88/25/76/823882576.db2.gz SXLGNFOWKUVRSX-SFTDATJTSA-N 1 0 383.463 4.194 20 0 GIADRO Cc1nc(-c2ccccc2)c(-c2nc([C@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)s1 ZINC000574997278 823882925 /nfs/dbraw/zinc/88/29/25/823882925.db2.gz NJFVIUMOHQCRFK-FOIQADDNSA-N 1 0 382.489 4.094 20 0 GIADRO CC[C@H](CCO)C[NH2+][C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000166823727 823882968 /nfs/dbraw/zinc/88/29/68/823882968.db2.gz XLNDOALOLRZAHN-NWDGAFQWSA-N 1 0 380.838 4.074 20 0 GIADRO C[C@@H](SCc1ccccc1)C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000126493339 823883311 /nfs/dbraw/zinc/88/33/11/823883311.db2.gz CIBJBSFULFINME-GOSISDBHSA-N 1 0 383.561 4.078 20 0 GIADRO C[C@H](c1ccccc1F)N1CCC[C@H](NCc2coc(-c3ccccc3)n2)C1=O ZINC000575006372 823885159 /nfs/dbraw/zinc/88/51/59/823885159.db2.gz YQSLPQSMZQXMJO-IERDGZPVSA-N 1 0 393.462 4.323 20 0 GIADRO O[C@H](C[NH2+][C@H]1CCCOc2ccc(F)cc21)CO[C@H]1CCCc2ccccc21 ZINC000575009845 823886450 /nfs/dbraw/zinc/88/64/50/823886450.db2.gz TWFPWPYWLZUPNZ-COPCDDAFSA-N 1 0 385.479 4.084 20 0 GIADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2CCSc3c(F)cccc32)o1 ZINC000126510881 823887358 /nfs/dbraw/zinc/88/73/58/823887358.db2.gz ANOGWSLKXWVSTH-GOSISDBHSA-N 1 0 391.512 4.037 20 0 GIADRO C[C@H]([NH2+]CCc1nnc2n1CCCCC2)c1ccc(OCc2ccccc2)cc1 ZINC000126510335 823887512 /nfs/dbraw/zinc/88/75/12/823887512.db2.gz CLDWJAVLAKKNJW-IBGZPJMESA-N 1 0 390.531 4.477 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)N2CCC(c3c[nH]c4ccccc43)CC2)c1 ZINC000126513463 823888524 /nfs/dbraw/zinc/88/85/24/823888524.db2.gz GGDMNXVIVWUMBW-UHFFFAOYSA-N 1 0 390.531 4.319 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(C)cc2OC[C@@H]2CCOC2)c(OC)c1 ZINC000167210535 823888894 /nfs/dbraw/zinc/88/88/94/823888894.db2.gz WXWQCQUAUXVSMB-QZTJIDSGSA-N 1 0 385.504 4.278 20 0 GIADRO O=C(c1ccoc1)N1CCC([NH2+][C@H]2CCCOc3cc4c(cc32)CCCC4)CC1 ZINC000126516540 823888936 /nfs/dbraw/zinc/88/89/36/823888936.db2.gz UIZJINXPVKJIPT-QFIPXVFZSA-N 1 0 394.515 4.267 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)CSc1ccccc1Cl ZINC000126515557 823888945 /nfs/dbraw/zinc/88/89/45/823888945.db2.gz RQYSFAHYFWTLHU-UHFFFAOYSA-N 1 0 389.952 4.202 20 0 GIADRO CSc1ccc([C@H](CNC(=O)Cc2cccc(Cl)c2F)[NH+](C)C)cc1 ZINC000575019837 823890126 /nfs/dbraw/zinc/89/01/26/823890126.db2.gz XHCWYEYFJRLTRW-KRWDZBQOSA-N 1 0 380.916 4.163 20 0 GIADRO Cc1cc([C@H]([NH2+]C2CCN(C(N)=O)CC2)c2ccccc2Cl)ccc1F ZINC000167393795 823891534 /nfs/dbraw/zinc/89/15/34/823891534.db2.gz QXYMJWAAPGGPKB-IBGZPJMESA-N 1 0 375.875 4.010 20 0 GIADRO CC1CC[NH+](C2CCC(NC(=O)c3ccnc(N4CCC[C@H](C)C4)c3)CC2)CC1 ZINC000462242949 823892795 /nfs/dbraw/zinc/89/27/95/823892795.db2.gz HURJJDNCZGKTBM-KPQWGBOZSA-N 1 0 398.595 4.091 20 0 GIADRO CC1CC[NH+](C2CCC(NC(=O)c3ccnc(N4CCC[C@@H](C)C4)c3)CC2)CC1 ZINC000462242948 823892845 /nfs/dbraw/zinc/89/28/45/823892845.db2.gz HURJJDNCZGKTBM-JSRJAPPDSA-N 1 0 398.595 4.091 20 0 GIADRO CCCOc1ccc(CCC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000126535179 823892819 /nfs/dbraw/zinc/89/28/19/823892819.db2.gz SHHAUPCGRWAETA-UHFFFAOYSA-N 1 0 395.547 4.178 20 0 GIADRO COc1cc(CN2CC[C@@H]([NH2+][C@@H](CC(C)C)c3ccccn3)C2)cc(OC)c1 ZINC000167529892 823893063 /nfs/dbraw/zinc/89/30/63/823893063.db2.gz ZOHLPDJKFJWNHL-XXBNENTESA-N 1 0 383.536 4.050 20 0 GIADRO Cc1ccnc([C@@H](C)[NH2+]Cc2ccc(I)c(Cl)c2)c1 ZINC000575030914 823893784 /nfs/dbraw/zinc/89/37/84/823893784.db2.gz CAGZPRGCVRMGMN-LLVKDONJSA-N 1 0 386.664 4.499 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1cccc(-c2nccs2)c1 ZINC000462244607 823893681 /nfs/dbraw/zinc/89/36/81/823893681.db2.gz LJZINIBBLIKMNV-OXQOHEQNSA-N 1 0 392.528 4.452 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccc(C)cc2OC(C)C)cc1 ZINC000167697133 823894643 /nfs/dbraw/zinc/89/46/43/823894643.db2.gz AECWETAEYBVCAX-KRWDZBQOSA-N 1 0 390.549 4.395 20 0 GIADRO C[C@H]([NH2+]C1(CNC(=O)c2cccc3c2CC(=O)CC3)CCCC1)c1ccccc1 ZINC000575032576 823894761 /nfs/dbraw/zinc/89/47/61/823894761.db2.gz RNSZJPPZVHGUBG-SFHVURJKSA-N 1 0 390.527 4.138 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1N1CCC(O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000167826270 823896576 /nfs/dbraw/zinc/89/65/76/823896576.db2.gz COWGHIVFUILJFD-HUUCEWRRSA-N 1 0 387.455 4.107 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](c1c(F)cccc1Cl)N1CCCC1)c1cc2n(n1)CCC2 ZINC000414054938 823896635 /nfs/dbraw/zinc/89/66/35/823896635.db2.gz CADHDZHGKYCARI-KUHUBIRLSA-N 1 0 376.907 4.110 20 0 GIADRO CCS[C@H](C)c1noc(CN2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1 ZINC000126551481 823896657 /nfs/dbraw/zinc/89/66/57/823896657.db2.gz QKAYNZLFEZYSMR-QGZVFWFLSA-N 1 0 388.581 4.228 20 0 GIADRO COc1ccc(C[C@H]([NH2+][C@@H](C)c2cc3n(n2)CCC3)c2ccc(OC)cc2)cc1 ZINC000414054895 823896837 /nfs/dbraw/zinc/89/68/37/823896837.db2.gz BWZSDNYBQFQSNS-XDHUDOTRSA-N 1 0 391.515 4.481 20 0 GIADRO COc1cc([C@@H](C)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)cc(OC)c1OC ZINC000167856841 823897041 /nfs/dbraw/zinc/89/70/41/823897041.db2.gz NEOPQMHYUHNJEJ-SJORKVTESA-N 1 0 386.536 4.492 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)c1ccc(OC)cc1C)c1ccccc1OCC(=O)N(C)C ZINC000414060184 823897884 /nfs/dbraw/zinc/89/78/84/823897884.db2.gz AQGWNLYGKGKDLC-UWJYYQICSA-N 1 0 384.520 4.273 20 0 GIADRO CC[C@@H]([NH2+][C@H](C)c1ccc(OC)cc1C)c1ccccc1OCC(=O)N(C)C ZINC000414060180 823898104 /nfs/dbraw/zinc/89/81/04/823898104.db2.gz AQGWNLYGKGKDLC-DYESRHJHSA-N 1 0 384.520 4.273 20 0 GIADRO CSCC[C@H]([NH2+][C@@H]1C[C@@H](OC(C)(C)C)C1(C)C)c1nnc2ccccn21 ZINC000414061943 823898543 /nfs/dbraw/zinc/89/85/43/823898543.db2.gz KTFMMUAQXAPGJN-ARFHVFGLSA-N 1 0 376.570 4.095 20 0 GIADRO Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+]CCc1nnc2n1CCCCC2 ZINC000126559159 823898550 /nfs/dbraw/zinc/89/85/50/823898550.db2.gz OYTVRUCMNLGTOE-AWEZNQCLSA-N 1 0 399.539 4.469 20 0 GIADRO CC(=O)N1CCC([NH2+][C@@H](c2ccccc2)c2cccc(Br)c2)CC1 ZINC000414066565 823899671 /nfs/dbraw/zinc/89/96/71/823899671.db2.gz PRYVPTLFKIQPCI-FQEVSTJZSA-N 1 0 387.321 4.139 20 0 GIADRO CC(=O)N1CCC([NH2+][C@H](c2ccccc2)c2cccc(Br)c2)CC1 ZINC000414066575 823899909 /nfs/dbraw/zinc/89/99/09/823899909.db2.gz PRYVPTLFKIQPCI-HXUWFJFHSA-N 1 0 387.321 4.139 20 0 GIADRO COC(=O)c1cnc([C@@H](C)[NH2+][C@H](C)CCc2ccc(Br)cc2)s1 ZINC000414067528 823900179 /nfs/dbraw/zinc/90/01/79/823900179.db2.gz IYMNDMXKTOEHQR-VXGBXAGGSA-N 1 0 397.338 4.364 20 0 GIADRO COC(=O)c1cnc([C@H](C)[NH2+][C@H](C)CCc2ccc(Br)cc2)s1 ZINC000414067516 823900485 /nfs/dbraw/zinc/90/04/85/823900485.db2.gz IYMNDMXKTOEHQR-NEPJUHHUSA-N 1 0 397.338 4.364 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(OCC(=O)NC3CC3)cc2)c(C)c1 ZINC000414070984 823901353 /nfs/dbraw/zinc/90/13/53/823901353.db2.gz LMWUTQHJBQBJGP-SJORKVTESA-N 1 0 382.504 4.073 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@@H]2CCN(c3ncccc3F)C2)ccc1SC(F)F ZINC000168215976 823901565 /nfs/dbraw/zinc/90/15/65/823901565.db2.gz BBAPPSZNVOXCGR-GXTWGEPZSA-N 1 0 397.466 4.474 20 0 GIADRO COC(=O)c1cnc([C@@H](C)[NH2+]CCc2ccc(-c3csc(C)n3)s2)s1 ZINC000414073996 823902006 /nfs/dbraw/zinc/90/20/06/823902006.db2.gz WKSZNJROZPGENK-SNVBAGLBSA-N 1 0 393.559 4.316 20 0 GIADRO Cc1ccc(-c2nc3c(s2)[C@H]([NH2+]CC2(N(C)C)CCOCC2)CCC3)cc1 ZINC000168272872 823902203 /nfs/dbraw/zinc/90/22/03/823902203.db2.gz OVUQGCCDGSNUKF-GOSISDBHSA-N 1 0 385.577 4.196 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1cc(-c2ccccn2)ccc1Cl)Cc1ccccc1 ZINC000168545225 823903529 /nfs/dbraw/zinc/90/35/29/823903529.db2.gz ZDQCULHFTMNXFE-IBGZPJMESA-N 1 0 393.918 4.305 20 0 GIADRO Cc1ccc(C[NH2+]Cc2ccc(OC(F)F)c(F)c2)c(OC[C@H]2CCOC2)c1 ZINC000168523959 823903758 /nfs/dbraw/zinc/90/37/58/823903758.db2.gz KDAQTJQVUFBRRF-INIZCTEOSA-N 1 0 395.421 4.441 20 0 GIADRO CC[N@H+](CCC1CCN(C(=O)NCc2noc3ccccc23)CC1)CC(C)C ZINC000575069756 823904006 /nfs/dbraw/zinc/90/40/06/823904006.db2.gz HODJODIZIQNABY-UHFFFAOYSA-N 1 0 386.540 4.117 20 0 GIADRO Cc1cccc(OC(F)F)c1NC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000462262599 823904249 /nfs/dbraw/zinc/90/42/49/823904249.db2.gz MEDMBQLMMLRCQY-NVXWUHKLSA-N 1 0 389.446 4.238 20 0 GIADRO COCc1cc([C@@H](C)[NH2+][C@@H](C)c2cc(OC)c(OC)cc2F)ccc1OC ZINC000168585764 823904299 /nfs/dbraw/zinc/90/42/99/823904299.db2.gz JYDHJINBBFTUMI-KGLIPLIRSA-N 1 0 377.456 4.410 20 0 GIADRO CN(Cc1cscn1)Cc1cccc(NC(=O)CC[C@@H]([NH3+])c2ccccc2)c1 ZINC000168580790 823904588 /nfs/dbraw/zinc/90/45/88/823904588.db2.gz CWZVRJYELDIXPP-OAQYLSRUSA-N 1 0 394.544 4.194 20 0 GIADRO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000575074924 823905117 /nfs/dbraw/zinc/90/51/17/823905117.db2.gz OILUSPLWZZHXKI-ROUUACIJSA-N 1 0 395.469 4.025 20 0 GIADRO COc1cccc(CN(CC[NH+](C)C)C(=O)Nc2cccc(N(C)C(C)C)c2)c1 ZINC000192217846 823906877 /nfs/dbraw/zinc/90/68/77/823906877.db2.gz VGYZKUNXNRHQQX-UHFFFAOYSA-N 1 0 398.551 4.136 20 0 GIADRO Brc1cccc([C@@H]([NH2+][C@@H]2CCc3n[nH]cc3C2)c2ccccc2)c1 ZINC000414090103 823907144 /nfs/dbraw/zinc/90/71/44/823907144.db2.gz KOFAANNEDKDNDK-QUCCMNQESA-N 1 0 382.305 4.409 20 0 GIADRO [NH3+]CC1(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cn3)c(F)c2)CCCC1 ZINC000168922169 823907308 /nfs/dbraw/zinc/90/73/08/823907308.db2.gz IPDUWGLKBCWVNN-UHFFFAOYSA-N 1 0 397.372 4.489 20 0 GIADRO COc1ccc(C[C@H](C)C(=O)Nc2ccccc2NC2CC[NH+](C)CC2)cc1 ZINC000126596384 823907581 /nfs/dbraw/zinc/90/75/81/823907581.db2.gz AJWWJTVXJBCXNW-KRWDZBQOSA-N 1 0 381.520 4.019 20 0 GIADRO CC[C@H]([NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1)[C@H]1C[C@H]1C ZINC000414094403 823908122 /nfs/dbraw/zinc/90/81/22/823908122.db2.gz OSAWKRYDFKIKOA-UQLQBKHNSA-N 1 0 393.499 4.482 20 0 GIADRO CC(C)(C)C[C@H]([NH2+]CC1(CO)CCOCC1)c1ccc(Br)cc1 ZINC000414095690 823908505 /nfs/dbraw/zinc/90/85/05/823908505.db2.gz HNDNGSXUIUQYKM-KRWDZBQOSA-N 1 0 384.358 4.305 20 0 GIADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=S)Nc2cccc(Br)c2)C1 ZINC000064903710 823908604 /nfs/dbraw/zinc/90/86/04/823908604.db2.gz GIAMRYBTFDAWKQ-CYBMUJFWSA-N 1 0 384.387 4.246 20 0 GIADRO COc1cc(C[NH2+][C@@H](C)[C@@H]2COc3ccccc32)ccc1OCc1ccncc1 ZINC000169104789 823908885 /nfs/dbraw/zinc/90/88/85/823908885.db2.gz BTIHPAPQXJPDIV-UWJYYQICSA-N 1 0 390.483 4.324 20 0 GIADRO C[C@@H]([NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl)c1cc2n(n1)CCC2 ZINC000414099086 823909044 /nfs/dbraw/zinc/90/90/44/823909044.db2.gz KMIKUWIEPHENGJ-LLVKDONJSA-N 1 0 388.821 4.016 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]CC(C)(C)c2cccs2)c1 ZINC000169175498 823909136 /nfs/dbraw/zinc/90/91/36/823909136.db2.gz VBPZCQGPAPKTSK-CQSZACIVSA-N 1 0 376.522 4.050 20 0 GIADRO CC(C)c1cc(C[NH2+][C@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)on1 ZINC000169278921 823910595 /nfs/dbraw/zinc/91/05/95/823910595.db2.gz CFQFRGBLUQYIIN-GFCCVEGCSA-N 1 0 385.386 4.204 20 0 GIADRO C[C@H]([NH2+]C[C@H]1C[C@@H](O)CN1Cc1ccccc1)c1csc(-c2ccccc2)n1 ZINC000414106743 823911324 /nfs/dbraw/zinc/91/13/24/823911324.db2.gz RHEAUQABDNPFIK-IOMROCGXSA-N 1 0 393.556 4.096 20 0 GIADRO C[C@@H]([NH2+]C1CCN(C(=O)CC(F)(F)F)CC1)c1csc(-c2ccccc2)n1 ZINC000414107556 823911724 /nfs/dbraw/zinc/91/17/24/823911724.db2.gz ZATDCIAEEMWARG-CYBMUJFWSA-N 1 0 397.466 4.404 20 0 GIADRO C[C@@H]([NH2+][C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1)[C@H]1C[C@H]1C ZINC000414117067 823913332 /nfs/dbraw/zinc/91/33/32/823913332.db2.gz RQFMWOCUHWHWHP-VPCNSNALSA-N 1 0 377.937 4.467 20 0 GIADRO CCOc1ccc(F)c(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1F ZINC000462290048 823914000 /nfs/dbraw/zinc/91/40/00/823914000.db2.gz KRKXXGVJMWCFJE-PBHICJAKSA-N 1 0 389.446 4.006 20 0 GIADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCCCCOC1CCCCC1 ZINC000414126098 823914852 /nfs/dbraw/zinc/91/48/52/823914852.db2.gz QUTNXKLMSUCOMW-INIZCTEOSA-N 1 0 399.373 4.109 20 0 GIADRO CC[C@H](C)n1ncc(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1C1CC1 ZINC000462297936 823915338 /nfs/dbraw/zinc/91/53/38/823915338.db2.gz NGKDXUBVZFWWSB-WWMYMODYSA-N 1 0 395.551 4.374 20 0 GIADRO CC(C)(C)C[C@H]([NH2+]C[C@H](CO)[C@H]1CCOC1)c1ccc(Br)cc1 ZINC000414127237 823915327 /nfs/dbraw/zinc/91/53/27/823915327.db2.gz GBIKFURGWSJIRS-JZXOWHBKSA-N 1 0 384.358 4.161 20 0 GIADRO CC(C)(C)C[C@H]([NH2+]C[C@@H](CO)[C@H]1CCOC1)c1ccc(Br)cc1 ZINC000414127236 823915492 /nfs/dbraw/zinc/91/54/92/823915492.db2.gz GBIKFURGWSJIRS-BQFCYCMXSA-N 1 0 384.358 4.161 20 0 GIADRO Cc1cc(C[NH2+][C@H]2CCC(=O)Nc3ccc(F)cc32)ccc1Br ZINC000414138032 823917484 /nfs/dbraw/zinc/91/74/84/823917484.db2.gz GPLBFGLAZAEAKY-INIZCTEOSA-N 1 0 377.257 4.460 20 0 GIADRO Brc1cccc([C@@H]([NH2+][C@@H]2CCn3ccnc3C2)c2ccccc2)c1 ZINC000414151818 823918744 /nfs/dbraw/zinc/91/87/44/823918744.db2.gz ZFRCDJYRAPBAHO-QUCCMNQESA-N 1 0 382.305 4.340 20 0 GIADRO CC(C)c1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1 ZINC000462306244 823919204 /nfs/dbraw/zinc/91/92/04/823919204.db2.gz QEMDIIGSEHNIRO-YLJYHZDGSA-N 1 0 392.590 4.233 20 0 GIADRO Cc1c(Cl)cccc1S(=O)(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000462307844 823919304 /nfs/dbraw/zinc/91/93/04/823919304.db2.gz YIKUPRAOLJZHKH-KBXCAEBGSA-N 1 0 398.981 4.071 20 0 GIADRO CC(C)(C)S(=O)(=O)Cc1ccc(NCc2ccc(-n3ccnc3)cc2)cc1 ZINC000126652592 823919951 /nfs/dbraw/zinc/91/99/51/823919951.db2.gz GOKBMOSYCZGAJK-UHFFFAOYSA-N 1 0 383.517 4.198 20 0 GIADRO CCOCCC1(C[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC1 ZINC000126663828 823921646 /nfs/dbraw/zinc/92/16/46/823921646.db2.gz APNYBRKQZWKQII-UHFFFAOYSA-N 1 0 378.314 4.136 20 0 GIADRO O=C(NC1CC[NH+](CCOc2ccc3ccccc3c2)CC1)c1ccsc1 ZINC000064989620 823921893 /nfs/dbraw/zinc/92/18/93/823921893.db2.gz ZCRAYBOFIHCVBI-UHFFFAOYSA-N 1 0 380.513 4.175 20 0 GIADRO C[C@H](c1nnc(-c2cccs2)o1)N1CCC2(CC1)OCCc1ccccc12 ZINC000575147483 823923514 /nfs/dbraw/zinc/92/35/14/823923514.db2.gz FTPCZSXPPDCJON-OAHLLOKOSA-N 1 0 381.501 4.423 20 0 GIADRO COc1ccc([C@H](CO)C[NH2+][C@H](C)c2ccc(Oc3ccccc3)cn2)cc1 ZINC000414176063 823923454 /nfs/dbraw/zinc/92/34/54/823923454.db2.gz IWXSULPKPSBBJT-MJGOQNOKSA-N 1 0 378.472 4.309 20 0 GIADRO O=S1(=O)CC[C@H]([NH2+]C[C@@H]2CCC[C@H]2C2CC2)c2cc(Br)ccc21 ZINC000414182165 823923603 /nfs/dbraw/zinc/92/36/03/823923603.db2.gz CUJBHZLBYZGGLY-QRTARXTBSA-N 1 0 398.366 4.084 20 0 GIADRO C[C@@H](N[C@@H](C)c1cc(F)ccc1F)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000126671964 823923743 /nfs/dbraw/zinc/92/37/43/823923743.db2.gz GTHCFVJFHYTGMZ-LSDHHAIUSA-N 1 0 377.454 4.268 20 0 GIADRO C[C@H]([NH2+]CC1(N2CCOCC2)CCOCC1)c1ccc(Oc2ccccc2)cc1 ZINC000414184237 823924440 /nfs/dbraw/zinc/92/44/40/823924440.db2.gz NRVRVQGNUZLBJD-FQEVSTJZSA-N 1 0 396.531 4.011 20 0 GIADRO N#CCOc1ccc(C[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)cc1 ZINC000065014613 823924705 /nfs/dbraw/zinc/92/47/05/823924705.db2.gz YVOBVGWRQSFAEG-UHFFFAOYSA-N 1 0 386.377 4.083 20 0 GIADRO O=C(Nc1cccc(Oc2ccccn2)c1)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000575152533 823925065 /nfs/dbraw/zinc/92/50/65/823925065.db2.gz DOJMKZNNERIRLV-PXNSSMCTSA-N 1 0 380.492 4.260 20 0 GIADRO O=C(Nc1cccc(Oc2ccccn2)c1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000575152535 823925324 /nfs/dbraw/zinc/92/53/24/823925324.db2.gz DOJMKZNNERIRLV-YLJYHZDGSA-N 1 0 380.492 4.260 20 0 GIADRO COCC[C@@H](C)C[NH2+][C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000414196469 823926001 /nfs/dbraw/zinc/92/60/01/823926001.db2.gz JODIXAIGJXLZLA-QRWLVFNGSA-N 1 0 395.952 4.095 20 0 GIADRO Cc1c(C(=O)N(C)C2CC[NH+](C3CCOCC3)CC2)oc2c1c(C)ccc2C ZINC000065037233 823928244 /nfs/dbraw/zinc/92/82/44/823928244.db2.gz JPHCXHYTGKESGQ-UHFFFAOYSA-N 1 0 384.520 4.073 20 0 GIADRO CC[C@H]1C[N@H+](CCCc2ccncc2)[C@@H](CC)CN1CCCc1ccncc1 ZINC000462334383 823928607 /nfs/dbraw/zinc/92/86/07/823928607.db2.gz JMDZIVKVOXOSDZ-ZEQRLZLVSA-N 1 0 380.580 4.217 20 0 GIADRO 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 823928820 /nfs/dbraw/zinc/92/88/20/823928820.db2.gz WPOKYKOIFBTZPP-AGLCIYDFSA-N 1 0 378.516 4.133 20 0 GIADRO C[C@@H](CC(=O)N(C)CC1([NH+](C)C)CCC1)c1ccc(F)c(Br)c1 ZINC000462335171 823929157 /nfs/dbraw/zinc/92/91/57/823929157.db2.gz SWOIVOKOFKQBME-ZDUSSCGKSA-N 1 0 385.321 4.025 20 0 GIADRO CCOc1ccc(C(=O)N2CCC([NH2+]Cc3cccc(OC(C)C)c3)CC2)cc1 ZINC000126697566 823930175 /nfs/dbraw/zinc/93/01/75/823930175.db2.gz MYZHCLNGZLFBKK-UHFFFAOYSA-N 1 0 396.531 4.267 20 0 GIADRO Clc1ccc(CCN2CC[NH+](CCCc3ccncc3)CC2)cc1Cl ZINC000462339734 823930450 /nfs/dbraw/zinc/93/04/50/823930450.db2.gz JWRGPTRBKVRAKS-UHFFFAOYSA-N 1 0 378.347 4.181 20 0 GIADRO O=C1C[C@@H](C[NH2+][C@H](Cc2cccc(F)c2)c2ccc(Cl)c(Cl)c2)CN1 ZINC000414212615 823930492 /nfs/dbraw/zinc/93/04/92/823930492.db2.gz WZXJNWORMZAWOG-SCLBCKFNSA-N 1 0 381.278 4.142 20 0 GIADRO Clc1c(Br)cccc1C[NH2+]C1CCN(Cc2cccnc2)CC1 ZINC000414213445 823930827 /nfs/dbraw/zinc/93/08/27/823930827.db2.gz SYNKBSQBWXWKCO-UHFFFAOYSA-N 1 0 394.744 4.252 20 0 GIADRO CCCOc1ccc(Br)cc1C[NH2+][C@H](CCO)c1ccccc1 ZINC000462340019 823930831 /nfs/dbraw/zinc/93/08/31/823930831.db2.gz WNSSYBICNQZWKS-GOSISDBHSA-N 1 0 378.310 4.451 20 0 GIADRO [NH3+]CCC[C@H](NC(=O)CCc1nc2cc(Cl)ccc2s1)c1ccccc1 ZINC000575179863 823932376 /nfs/dbraw/zinc/93/23/76/823932376.db2.gz WXWJEQHLNCEPJR-INIZCTEOSA-N 1 0 387.936 4.479 20 0 GIADRO COc1cc(N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c(Cl)c(OC)c1 ZINC000414223144 823932751 /nfs/dbraw/zinc/93/27/51/823932751.db2.gz PIZKYFUJAUWLQD-RHSMWYFYSA-N 1 0 375.900 4.075 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1c(F)cc(F)cc1Br)c1ccccc1 ZINC000192286917 823933992 /nfs/dbraw/zinc/93/39/92/823933992.db2.gz SCHCAZNQUAJJGY-OAHLLOKOSA-N 1 0 398.251 4.152 20 0 GIADRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC[C@@H](c3cc[nH]n3)C2)c1 ZINC000170678394 823935214 /nfs/dbraw/zinc/93/52/14/823935214.db2.gz UJPFRZNLUQTMKN-JOCHJYFZSA-N 1 0 388.515 4.062 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)cn1 ZINC000414236406 823935978 /nfs/dbraw/zinc/93/59/78/823935978.db2.gz AFHAEZIVTMCSLI-ZOCIIQOWSA-N 1 0 395.425 4.156 20 0 GIADRO Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@@H](Cc1ccccc1)CN(C)C ZINC000462352743 823936721 /nfs/dbraw/zinc/93/67/21/823936721.db2.gz OUGUVURICVYJKX-NRFANRHFSA-N 1 0 382.939 4.097 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+]C2CCC(c3ccc(OC)cc3)CC2)cn1 ZINC000414239606 823937026 /nfs/dbraw/zinc/93/70/26/823937026.db2.gz DEYAGEVLBGWCTD-PSKKCVOASA-N 1 0 383.536 4.305 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCO[C@H]2c2cnn(CC)c2)cc1OCC ZINC000414242496 823937804 /nfs/dbraw/zinc/93/78/04/823937804.db2.gz IAQXUQAKMBSWHQ-SGXKBVARSA-N 1 0 387.524 4.129 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@H]2CCCSc3ccc(OC)cc32)cn1 ZINC000414242978 823938367 /nfs/dbraw/zinc/93/83/67/823938367.db2.gz IZKIDILDMLAOPQ-PAXLWEDBSA-N 1 0 387.549 4.206 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000170684883 823938558 /nfs/dbraw/zinc/93/85/58/823938558.db2.gz JOLHPKATMNQUJB-YADHBBJMSA-N 1 0 397.563 4.040 20 0 GIADRO Cc1onc(C2CC2)c1C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000575207796 823939051 /nfs/dbraw/zinc/93/90/51/823939051.db2.gz QVQQRBAVADAZCO-HOTGVXAUSA-N 1 0 381.520 4.268 20 0 GIADRO C[C@H]1CO[C@H](c2ccccc2)CN1C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000192300569 823940129 /nfs/dbraw/zinc/94/01/29/823940129.db2.gz VBHIANWBBQGSBL-REWPJTCUSA-N 1 0 392.543 4.277 20 0 GIADRO O[C@@H]1CCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000575212570 823940190 /nfs/dbraw/zinc/94/01/90/823940190.db2.gz FDDVARRMCIAZHH-CWRNSKLLSA-N 1 0 382.291 4.169 20 0 GIADRO C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+]Cc1ccccc1S(C)(=O)=O ZINC000414247865 823940242 /nfs/dbraw/zinc/94/02/42/823940242.db2.gz VSJNWAZSAKZEJG-CQSZACIVSA-N 1 0 385.451 4.220 20 0 GIADRO CC[C@@H](CSc1ccc(Cl)cc1)[NH2+]Cc1ccccc1S(C)(=O)=O ZINC000414250353 823941108 /nfs/dbraw/zinc/94/11/08/823941108.db2.gz XNVDQLHNEWTBJU-INIZCTEOSA-N 1 0 383.966 4.404 20 0 GIADRO CCc1ncc(C(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)s1 ZINC000065106331 823943705 /nfs/dbraw/zinc/94/37/05/823943705.db2.gz OGLVOUDIEABHPW-UHFFFAOYSA-N 1 0 379.529 4.364 20 0 GIADRO CCN(Cc1ccccc1)C(=O)C[NH2+]Cc1cc(C)c(C)cc1OC(F)F ZINC000462368045 823943994 /nfs/dbraw/zinc/94/39/94/823943994.db2.gz MZFWUHDETBATPX-UHFFFAOYSA-N 1 0 376.447 4.043 20 0 GIADRO C[C@H](Cc1ccc(F)cc1Br)[NH2+]Cc1nccc(C(F)(F)F)n1 ZINC000414261103 823944850 /nfs/dbraw/zinc/94/48/50/823944850.db2.gz RDTPMLJEBOYAKI-SECBINFHSA-N 1 0 392.194 4.118 20 0 GIADRO Cc1ccc(Br)c(C[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@H]2C)c1 ZINC000414260866 823944861 /nfs/dbraw/zinc/94/48/61/823944861.db2.gz NDXPDZPRBBTPOQ-OXQOHEQNSA-N 1 0 388.353 4.153 20 0 GIADRO Cc1nn(-c2cccc(F)c2)cc1C[NH2+]Cc1ccnc(OC2CCCC2)c1 ZINC000414260915 823944925 /nfs/dbraw/zinc/94/49/25/823944925.db2.gz BKEWDCGNPNGBNO-UHFFFAOYSA-N 1 0 380.467 4.326 20 0 GIADRO CC(=O)N1CC[C@@H]([NH2+]Cc2cc(C)ccc2Br)c2ccccc2C1 ZINC000414263633 823945249 /nfs/dbraw/zinc/94/52/49/823945249.db2.gz PLAROEXQMUVVLU-HXUWFJFHSA-N 1 0 387.321 4.341 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)C3(c4ccccc4C)CC3)c(C)c2)CC1 ZINC000170700892 823945585 /nfs/dbraw/zinc/94/55/85/823945585.db2.gz SLKVVZHOCZZVET-UHFFFAOYSA-N 1 0 377.532 4.116 20 0 GIADRO CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+]Cc2ccccc2S(C)(=O)=O)cc1 ZINC000414267179 823946592 /nfs/dbraw/zinc/94/65/92/823946592.db2.gz WJCNCSPKENIBGM-SFTDATJTSA-N 1 0 387.545 4.303 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1cc(Cl)c[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000065121835 823947513 /nfs/dbraw/zinc/94/75/13/823947513.db2.gz ZIVDQSQUFCUJSM-MRXNPFEDSA-N 1 0 387.833 4.500 20 0 GIADRO CC(C)c1c(NC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cnn1-c1ccccc1 ZINC000192330586 823947987 /nfs/dbraw/zinc/94/79/87/823947987.db2.gz WYKGNCXFSFKBSW-SFHVURJKSA-N 1 0 383.540 4.334 20 0 GIADRO CC(C)c1c(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cnn1-c1ccccc1 ZINC000192332329 823948961 /nfs/dbraw/zinc/94/89/61/823948961.db2.gz OOEJKBOUEXRYJQ-QUCCMNQESA-N 1 0 395.551 4.475 20 0 GIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccc(N3CCCCCC3)nc2)C1 ZINC000065140483 823950458 /nfs/dbraw/zinc/95/04/58/823950458.db2.gz UYPZZCHCFZYSOU-SIKLNZKXSA-N 1 0 392.547 4.027 20 0 GIADRO O=C(c1cccc(C[NH+]2CCCC2)c1)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000065141249 823950878 /nfs/dbraw/zinc/95/08/78/823950878.db2.gz QGGOLSHQQCOFQK-QHCPKHFHSA-N 1 0 396.506 4.243 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)C2CCCC2)C1)c1ccc(SCC(F)F)cc1 ZINC000126787614 823951556 /nfs/dbraw/zinc/95/15/56/823951556.db2.gz BFRWCVKGPXAUKI-RHSMWYFYSA-N 1 0 382.520 4.486 20 0 GIADRO C[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1)CC(F)(F)F ZINC000414289870 823952174 /nfs/dbraw/zinc/95/21/74/823952174.db2.gz WINLDGYBCWKGCS-MNOVXSKESA-N 1 0 386.336 4.480 20 0 GIADRO Cc1ccc[n+](C(C(=O)c2ccccc2)C(=S)Nc2ccc(Cl)nc2)c1 ZINC000170715573 823952531 /nfs/dbraw/zinc/95/25/31/823952531.db2.gz QQCZBHZAGBWEHH-UHFFFAOYSA-O 1 0 382.896 4.382 20 0 GIADRO CC[NH+](CC)CCOc1ccc(C(=O)Nc2cccc(-c3cnco3)c2)cc1 ZINC000065159042 823953375 /nfs/dbraw/zinc/95/33/75/823953375.db2.gz VLISGOBGNAORJF-UHFFFAOYSA-N 1 0 379.460 4.315 20 0 GIADRO O=C(c1cc2c(cccc2Br)[nH]1)N1CCC([NH2+]C2CCCC2)CC1 ZINC000126803627 823955325 /nfs/dbraw/zinc/95/53/25/823955325.db2.gz CASOGSVZEZKLQB-UHFFFAOYSA-N 1 0 390.325 4.067 20 0 GIADRO CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000575324969 823955626 /nfs/dbraw/zinc/95/56/26/823955626.db2.gz DWVGDRQOARJTRB-YOEHRIQHSA-N 1 0 389.341 4.146 20 0 GIADRO CC(C)([NH2+]Cn1ncc2cc([N+](=O)[O-])ccc21)c1ccc(Br)cc1 ZINC000065188191 823957746 /nfs/dbraw/zinc/95/77/46/823957746.db2.gz QXBOLNIXGHCWDP-UHFFFAOYSA-N 1 0 389.253 4.189 20 0 GIADRO CN(C(=O)c1cc2sccc2s1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000575334251 823958200 /nfs/dbraw/zinc/95/82/00/823958200.db2.gz XOZMBRDATGONES-UHFFFAOYSA-N 1 0 376.469 4.452 20 0 GIADRO O=C([C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1)N1CCC([NH2+]C2CCCC2)CC1 ZINC000126819472 823958678 /nfs/dbraw/zinc/95/86/78/823958678.db2.gz ANPLVEBXPGQBMB-MOPGFXCFSA-N 1 0 380.454 4.332 20 0 GIADRO Cc1ccc([C@H](CNC(=O)N2CCC(c3ccncc3)CC2)[NH+]2CCCC2)cc1 ZINC000192366728 823960349 /nfs/dbraw/zinc/96/03/49/823960349.db2.gz STOOVAQSIGUSPQ-QHCPKHFHSA-N 1 0 392.547 4.116 20 0 GIADRO CC(C)Oc1ccc([C@@H](CNC(=O)[C@H]2SCCc3ccccc32)[NH+](C)C)cc1 ZINC000575352446 823960427 /nfs/dbraw/zinc/96/04/27/823960427.db2.gz POIHRLJARGYYTL-YADHBBJMSA-N 1 0 398.572 4.223 20 0 GIADRO CSc1ccc([C@H](CNC(=O)[C@H]2C[C@H]2c2ccc(F)cc2F)[NH+](C)C)cc1 ZINC000575355348 823961092 /nfs/dbraw/zinc/96/10/92/823961092.db2.gz YBMVNWVBVGTDCR-BJLQDIEVSA-N 1 0 390.499 4.209 20 0 GIADRO COc1ccc([C@H](Cc2ccncc2)[NH2+][C@H]2CCN(c3ccc(F)cc3)C2)cc1 ZINC000414341645 823961317 /nfs/dbraw/zinc/96/13/17/823961317.db2.gz IDIABOCNGDWVLQ-URXFXBBRSA-N 1 0 391.490 4.382 20 0 GIADRO CCc1ncc(C[NH2+][C@@H](Cc2ccc(OC)c(OC)c2)c2ccccc2)cn1 ZINC000414340347 823961394 /nfs/dbraw/zinc/96/13/94/823961394.db2.gz MVIPHCXAVJUTND-FQEVSTJZSA-N 1 0 377.488 4.130 20 0 GIADRO Cn1cnc(-c2ccc(NC3CC[NH+](Cc4ccc(Cl)cc4)CC3)cc2)n1 ZINC000575355766 823961523 /nfs/dbraw/zinc/96/15/23/823961523.db2.gz IZLDPIOUXPNVNP-UHFFFAOYSA-N 1 0 381.911 4.212 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2)C1)c1ccc(OCc2nccn2C)cc1 ZINC000414352464 823963232 /nfs/dbraw/zinc/96/32/32/823963232.db2.gz UEFJMFKZZUCWQB-YLJYHZDGSA-N 1 0 394.494 4.068 20 0 GIADRO CC(C)[C@@H]1C[C@@H]([NH2+]C2CCN(Cc3cccc(Br)c3)CC2)CCO1 ZINC000414352305 823963375 /nfs/dbraw/zinc/96/33/75/823963375.db2.gz PIBJNTSEZIMKTP-PMACEKPBSA-N 1 0 395.385 4.207 20 0 GIADRO COCC[C@H](NC(=O)[C@@H]1C[NH2+]Cc2ccccc21)c1ccc(Cl)c(Cl)c1 ZINC000575399258 823966959 /nfs/dbraw/zinc/96/69/59/823966959.db2.gz YOCHFKZJZMACQJ-APWZRJJASA-N 1 0 393.314 4.074 20 0 GIADRO CSc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(CN3CCOCC3)cc1)CCC2 ZINC000575401186 823967673 /nfs/dbraw/zinc/96/76/73/823967673.db2.gz MOMNWYFXYQTLOI-QHCPKHFHSA-N 1 0 382.573 4.408 20 0 GIADRO Cc1cc(C[NH+]2CCC(C(=O)N3CCC[C@H](C)C3)CC2)ccc1C(F)(F)F ZINC000414375896 823968827 /nfs/dbraw/zinc/96/88/27/823968827.db2.gz YLIRKKGAARZPBZ-HNNXBMFYSA-N 1 0 382.470 4.484 20 0 GIADRO Cc1cc([NH+]2CCCCCC2)ccc1N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000575413649 823969093 /nfs/dbraw/zinc/96/90/93/823969093.db2.gz WCULKHAKVSWBAJ-KRWDZBQOSA-N 1 0 387.549 4.196 20 0 GIADRO CC[C@@H](CNC(=O)CCc1cncc2ccccc21)[N@@H+]1CCc2ccccc2C1 ZINC000462422476 823969564 /nfs/dbraw/zinc/96/95/64/823969564.db2.gz ZADXVGGQAALLSO-QHCPKHFHSA-N 1 0 387.527 4.121 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cccnc2Br)cc1 ZINC000126867662 823969906 /nfs/dbraw/zinc/96/99/06/823969906.db2.gz MBXTYWKKGIZZRI-CQSZACIVSA-N 1 0 388.309 4.471 20 0 GIADRO CCc1ncc(C[N@@H+]2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cn1 ZINC000414380333 823969898 /nfs/dbraw/zinc/96/98/98/823969898.db2.gz ITXVIQAVVQEQGU-INIZCTEOSA-N 1 0 383.883 4.122 20 0 GIADRO Cc1nn(-c2cccc(F)c2)cc1C[NH2+]Cc1ccc(C)cc1O[C@H]1CCOC1 ZINC000414384276 823970399 /nfs/dbraw/zinc/97/03/99/823970399.db2.gz VJGRYMWJWBHLIM-QFIPXVFZSA-N 1 0 395.478 4.086 20 0 GIADRO C[C@@H](Cc1ccc(Cl)cc1)C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000126872218 823971355 /nfs/dbraw/zinc/97/13/55/823971355.db2.gz XBYJDYGLSXEFMY-KRWDZBQOSA-N 1 0 385.939 4.289 20 0 GIADRO CC(C)[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)c1ccccc1Cl ZINC000414389875 823971455 /nfs/dbraw/zinc/97/14/55/823971455.db2.gz HHMXOIMESLLFCJ-QGZVFWFLSA-N 1 0 387.332 4.128 20 0 GIADRO C[C@@H]([NH2+]C[C@H]1CCCN(Cc2cccs2)C1)c1ccc(N2CCCC2=O)cc1 ZINC000126880115 823972937 /nfs/dbraw/zinc/97/29/37/823972937.db2.gz OHLGKQPFVXPZNT-RTBURBONSA-N 1 0 397.588 4.438 20 0 GIADRO CC(C)CN(CC[NH+](C)C)C(=O)Nc1ccc(COCc2ccccc2)cc1 ZINC000126890331 823975045 /nfs/dbraw/zinc/97/50/45/823975045.db2.gz DDODVBBNLKELRL-UHFFFAOYSA-N 1 0 383.536 4.455 20 0 GIADRO Cc1cc(C(=O)N(C)c2ccc(OCC[NH+]3CCCC3)cc2)nc2ccccc12 ZINC000126896733 823976247 /nfs/dbraw/zinc/97/62/47/823976247.db2.gz LIQFETBPJFMLSD-UHFFFAOYSA-N 1 0 389.499 4.294 20 0 GIADRO CN(C(=O)C[C@H]1CCOc2ccccc21)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000126906879 823978362 /nfs/dbraw/zinc/97/83/62/823978362.db2.gz GRCXRLIUVVUJCE-LJQANCHMSA-N 1 0 394.515 4.080 20 0 GIADRO O=C(NC1CC[NH+](CCc2ccc(F)cc2Cl)CC1)c1ccc(F)cc1 ZINC000575632230 823980117 /nfs/dbraw/zinc/98/01/17/823980117.db2.gz SFVVMPDLFAXVSV-UHFFFAOYSA-N 1 0 378.850 4.055 20 0 GIADRO O[C@H](COCc1ccccc1Cl)C[NH+]1CCC(OC2CCCCC2)CC1 ZINC000126923798 823981852 /nfs/dbraw/zinc/98/18/52/823981852.db2.gz PDTKXDRMSNDHCN-SFHVURJKSA-N 1 0 381.944 4.031 20 0 GIADRO CCc1ncc(C[NH2+]C2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)cn1 ZINC000414430538 823983244 /nfs/dbraw/zinc/98/32/44/823983244.db2.gz JXRFXPFDLUZZOR-UHFFFAOYSA-N 1 0 379.335 4.100 20 0 GIADRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)Nc3cc(C(F)(F)F)ccn3)C2)CC1 ZINC000192421374 823983784 /nfs/dbraw/zinc/98/37/84/823983784.db2.gz CMCVMXJXBRMUNX-HNNXBMFYSA-N 1 0 384.446 4.076 20 0 GIADRO Cc1cc(OC[C@H](O)C[NH2+]C[C@H](C)c2nccs2)c(C(C)C)cc1Cl ZINC000575742572 823984650 /nfs/dbraw/zinc/98/46/50/823984650.db2.gz LHEYRXKETPIHFG-LSDHHAIUSA-N 1 0 382.957 4.361 20 0 GIADRO CC(C)Oc1cccc(C[NH+]2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c1 ZINC000170834584 823985170 /nfs/dbraw/zinc/98/51/70/823985170.db2.gz DHPWYBFVYVUBOF-UHFFFAOYSA-N 1 0 396.487 4.053 20 0 GIADRO Cc1nc(CN(C)[C@@H]2CCC[N@H+](Cc3ccc(C(F)(F)F)c(C)c3)CC2)no1 ZINC000414439837 823986039 /nfs/dbraw/zinc/98/60/39/823986039.db2.gz SZEGBPPVTBAMND-QGZVFWFLSA-N 1 0 396.457 4.192 20 0 GIADRO COc1cc(S(=O)(=O)Nc2cc(C[NH+]3CCCC3)ccc2C)ccc1Cl ZINC000414440118 823986066 /nfs/dbraw/zinc/98/60/66/823986066.db2.gz HHYFVOQDULWTLV-UHFFFAOYSA-N 1 0 394.924 4.054 20 0 GIADRO COc1ccc([C@H](C)[NH2+]Cc2cn(-c3cccc(F)c3)nc2C)c(C)c1OC ZINC000414443047 823986379 /nfs/dbraw/zinc/98/63/79/823986379.db2.gz MZGGTPHJEGQPSP-INIZCTEOSA-N 1 0 383.467 4.496 20 0 GIADRO COC(=O)c1ccc(C[NH2+]Cc2ccc(C(F)(F)F)c(C)c2)nc1C1CC1 ZINC000414445106 823986976 /nfs/dbraw/zinc/98/69/76/823986976.db2.gz RLERZTPMIQXAGQ-UHFFFAOYSA-N 1 0 378.394 4.363 20 0 GIADRO OCC[C@H]1CN(CC2CCC(F)(F)CC2)CC[N@@H+]1CC1CCC(F)(F)CC1 ZINC000575759683 823988237 /nfs/dbraw/zinc/98/82/37/823988237.db2.gz VEFILGRGTZSMAX-SFHVURJKSA-N 1 0 394.497 4.006 20 0 GIADRO Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH+]1CCC(c2ccncn2)CC1 ZINC000414468902 823990782 /nfs/dbraw/zinc/99/07/82/823990782.db2.gz HHDPLBPAIXVOFX-UHFFFAOYSA-N 1 0 395.938 4.371 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccccc1OC1CCC1 ZINC000126970160 823991980 /nfs/dbraw/zinc/99/19/80/823991980.db2.gz HLUNYWCZXIIVCE-UHFFFAOYSA-N 1 0 394.515 4.075 20 0 GIADRO COC(=O)[C@H](C)c1cccc(NC2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)c1 ZINC000414489554 823993997 /nfs/dbraw/zinc/99/39/97/823993997.db2.gz QCTGOMUCKFRMMP-RBUKOAKNSA-N 1 0 380.532 4.471 20 0 GIADRO CSc1ccc([C@H](CN[C@H](c2ncc[nH]2)c2ccc(F)cc2)[NH+](C)C)cc1 ZINC000575784798 823994603 /nfs/dbraw/zinc/99/46/03/823994603.db2.gz YDWVSDPCZGVOMI-PMACEKPBSA-N 1 0 384.524 4.253 20 0 GIADRO CSc1ccc(C[NH2+]Cc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)s1 ZINC000575788537 823996508 /nfs/dbraw/zinc/99/65/08/823996508.db2.gz QZYXAKJDDPISJK-GJZGRUSLSA-N 1 0 390.574 4.009 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]C2CC(c3cc(F)cc(F)c3)C2)c1 ZINC000414499654 823996636 /nfs/dbraw/zinc/99/66/36/823996636.db2.gz ZFJNMKYPYZFOKD-UHFFFAOYSA-N 1 0 399.890 4.448 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]C[C@](C)(O)Cc2ccc(OC)c(OC)c2)cc1Cl ZINC000575791858 823997752 /nfs/dbraw/zinc/99/77/52/823997752.db2.gz PGXMPBDIFDORCO-SPLOXXLWSA-N 1 0 393.911 4.010 20 0 GIADRO C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+]Cc1ccccc1S(C)(=O)=O ZINC000414509886 823997932 /nfs/dbraw/zinc/99/79/32/823997932.db2.gz STTBEUCYTNPHSG-GXDHUFHOSA-N 1 0 383.435 4.302 20 0 GIADRO COCC1CCC([NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000414510796 823998471 /nfs/dbraw/zinc/99/84/71/823998471.db2.gz ITPFFCIZZXBPPA-UHFFFAOYSA-N 1 0 381.442 4.245 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)C2CCCC2)C1)c1cc(Cl)ccc1OC(F)F ZINC000127004184 823998717 /nfs/dbraw/zinc/99/87/17/823998717.db2.gz GNKQYEAOFIBRRE-IUODEOHRSA-N 1 0 386.870 4.383 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)N[C@@H]2CCCC[C@@H]2C(F)(F)F)[NH+]2CCCC2)o1 ZINC000575798920 823999177 /nfs/dbraw/zinc/99/91/77/823999177.db2.gz HPGNAGXYEJWYCF-ARFHVFGLSA-N 1 0 387.446 4.145 20 0 GIADRO Cc1cccn2cc(COc3ccc(C[NH2+]C[C@@H]4C[C@@H](C)O[C@H]4C)cc3)nc12 ZINC000414514955 823999515 /nfs/dbraw/zinc/99/95/15/823999515.db2.gz MQVAMPHWXSDSGW-HBFSDRIKSA-N 1 0 379.504 4.125 20 0 GIADRO C[C@@H]1C[C@H](C[NH2+]Cc2csc(-c3cccc(Br)c3)n2)[C@@H](C)O1 ZINC000414516154 824000001 /nfs/dbraw/zinc/00/00/01/824000001.db2.gz OMDDWOQFSUAXBH-YRGRVCCFSA-N 1 0 381.339 4.476 20 0 GIADRO C[C@@H]([NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccc(Br)cn1 ZINC000575802744 824000373 /nfs/dbraw/zinc/00/03/73/824000373.db2.gz PVLRZZCHRDYBSW-BLVKFPJESA-N 1 0 389.293 4.417 20 0 GIADRO CC(C)(CC[NH2+]C/C=C\c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O ZINC000414520611 824000422 /nfs/dbraw/zinc/00/04/22/824000422.db2.gz ZXGFBKLDCUFPDW-YFHOEESVSA-N 1 0 387.545 4.082 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc3c(cc2Br)CCC3)[C@H](C)C1 ZINC000192464118 824000725 /nfs/dbraw/zinc/00/07/25/824000725.db2.gz HBVJYCMCECLLOW-ACJLOTCBSA-N 1 0 394.357 4.132 20 0 GIADRO C[N@H+]1C[C@H]2CN(C(=O)c3cc(-c4ccccc4Cl)nc4ccccc43)C[C@H]2C1 ZINC000192464293 824000742 /nfs/dbraw/zinc/00/07/42/824000742.db2.gz AIGPAFWVYHQCNG-IYBDPMFKSA-N 1 0 391.902 4.189 20 0 GIADRO OCC1([C@H]([NH2+]Cc2cccc(-c3cccnc3)c2)c2ccccc2)CCOCC1 ZINC000414522153 824000833 /nfs/dbraw/zinc/00/08/33/824000833.db2.gz AXJVARRFNHIDFJ-XMMPIXPASA-N 1 0 388.511 4.369 20 0 GIADRO CCNC(=O)COc1ccc(C[NH2+][C@@H](c2ccccc2)C2CCCC2)cc1OC ZINC000127015692 824001187 /nfs/dbraw/zinc/00/11/87/824001187.db2.gz FOCSMXGSEOSLAN-DEOSSOPVSA-N 1 0 396.531 4.231 20 0 GIADRO COC(=O)COc1ccc(C[NH2+][C@H](c2ccccc2)C2(CO)CCCCC2)cc1 ZINC000414525039 824001665 /nfs/dbraw/zinc/00/16/65/824001665.db2.gz IYKZKWHYKLAIMU-HSZRJFAPSA-N 1 0 397.515 4.012 20 0 GIADRO Cc1ccc(OCc2nc(C[NH2+]C[C@H](CO)c3ccc(F)cc3)cs2)cc1 ZINC000414529135 824002570 /nfs/dbraw/zinc/00/25/70/824002570.db2.gz OUPHJCHIYDPVEC-QGZVFWFLSA-N 1 0 386.492 4.035 20 0 GIADRO COc1cc(C[N@@H+]2CC3(CCOCC3)[C@@H]2C(C)C)ccc1OCC(F)(F)F ZINC000414529555 824003038 /nfs/dbraw/zinc/00/30/38/824003038.db2.gz PKNVCOIHFSGXEF-SFHVURJKSA-N 1 0 387.442 4.273 20 0 GIADRO Cc1cc2[nH]c(C[NH2+][C@H](c3ccccc3)C3(CO)CCOCC3)cc2c(C)c1 ZINC000414534855 824003857 /nfs/dbraw/zinc/00/38/57/824003857.db2.gz GYEYMZQXNUWSJA-HSZRJFAPSA-N 1 0 378.516 4.405 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@H]2CCN(C(=O)C3CCCC3)C2)ccc1SC(F)F ZINC000127037462 824005364 /nfs/dbraw/zinc/00/53/64/824005364.db2.gz CYWRAUSHDJNREJ-BBRMVZONSA-N 1 0 398.519 4.452 20 0 GIADRO CC1CC[NH+]([C@@H](CNC(=O)c2cc(-c3ccncc3)on2)c2cccs2)CC1 ZINC000127040666 824005569 /nfs/dbraw/zinc/00/55/69/824005569.db2.gz CIQJJQNNGAWAJE-SFHVURJKSA-N 1 0 396.516 4.001 20 0 GIADRO C[NH+](C)C[C@@H]1CCN(C(=O)Nc2ccccc2OCc2cccc(Cl)c2)C1 ZINC000127040586 824005714 /nfs/dbraw/zinc/00/57/14/824005714.db2.gz AJGADCVTEIMZQX-KRWDZBQOSA-N 1 0 387.911 4.334 20 0 GIADRO CCS(=O)(=O)CCC[NH2+]Cc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000414540660 824005918 /nfs/dbraw/zinc/00/59/18/824005918.db2.gz HMXWSKPIWJSPRT-UHFFFAOYSA-N 1 0 376.305 4.168 20 0 GIADRO O=C(Nc1cccc(C[NH2+]C[C@@H](O)C2CC2)c1)c1ccc(Cl)cc1Cl ZINC000575830434 824005986 /nfs/dbraw/zinc/00/59/86/824005986.db2.gz FBBGSEYFSJSWLG-GOSISDBHSA-N 1 0 379.287 4.106 20 0 GIADRO OC[C@H]([NH2+]Cc1ccc(-c2ccc(Br)cc2)s1)[C@@H]1CCCOC1 ZINC000414541338 824006581 /nfs/dbraw/zinc/00/65/81/824006581.db2.gz CNDKOTHDAJHFPN-PBHICJAKSA-N 1 0 396.350 4.055 20 0 GIADRO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2c(OC(F)F)ccc3ccccc32)CC1 ZINC000414546457 824007936 /nfs/dbraw/zinc/00/79/36/824007936.db2.gz HIWZJBLHVGMXSE-KRWDZBQOSA-N 1 0 388.458 4.418 20 0 GIADRO CC[N@@H+](Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2)Cc1occc1C ZINC000414547174 824007953 /nfs/dbraw/zinc/00/79/53/824007953.db2.gz HJWYVVXYFBWHPW-UHFFFAOYSA-N 1 0 381.476 4.172 20 0 GIADRO C[C@H](C[N@@H+]1CCC[C@@H](N2CCCC2=O)CC1)c1cccc(Br)c1 ZINC000414550452 824008821 /nfs/dbraw/zinc/00/88/21/824008821.db2.gz NBCFKVJYWPFIJR-CRAIPNDOSA-N 1 0 379.342 4.030 20 0 GIADRO CC(C)Sc1cccc(Cl)c1C[NH2+]CC1(CS(C)(=O)=O)CCC1 ZINC000414549647 824008898 /nfs/dbraw/zinc/00/88/98/824008898.db2.gz BHEJBGQWMRPUAR-UHFFFAOYSA-N 1 0 375.987 4.145 20 0 GIADRO C[N@H+](Cn1ccc(=O)c2cccc(Br)c21)[C@H]1CCc2ccccc21 ZINC000170938310 824008992 /nfs/dbraw/zinc/00/89/92/824008992.db2.gz NYEUVLREHCJOCW-SFHVURJKSA-N 1 0 383.289 4.341 20 0 GIADRO COCCNc1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2Br)cc1 ZINC000127061172 824009422 /nfs/dbraw/zinc/00/94/22/824009422.db2.gz XKMAVFNEZTZHHM-ZDUSSCGKSA-N 1 0 381.289 4.497 20 0 GIADRO CCNC(=O)C1(C[NH2+][C@H](c2ccc(OC)cc2Br)C(C)C)CCC1 ZINC000575840833 824009597 /nfs/dbraw/zinc/00/95/97/824009597.db2.gz CLJZKYVGNLUJGK-KRWDZBQOSA-N 1 0 397.357 4.051 20 0 GIADRO CC(C)n1cc(CN2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)cn1 ZINC000170944327 824010310 /nfs/dbraw/zinc/01/03/10/824010310.db2.gz GNUCSYATIGPPKA-UHFFFAOYSA-N 1 0 380.458 4.191 20 0 GIADRO CC(C)(C[NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1)c1cccnc1 ZINC000414554360 824010700 /nfs/dbraw/zinc/01/07/00/824010700.db2.gz GYVPKAMVQJCOPJ-UHFFFAOYSA-N 1 0 376.291 4.037 20 0 GIADRO C/C(=C/c1ccccc1OC(F)F)C[N@@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000414556483 824011102 /nfs/dbraw/zinc/01/11/02/824011102.db2.gz VXOVXEMDYMINSR-HRYDCMBCSA-N 1 0 378.463 4.168 20 0 GIADRO O=C(Nc1ccccc1O[C@@H]1CCOC1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000575849901 824011859 /nfs/dbraw/zinc/01/18/59/824011859.db2.gz XRPXGYYHZKVPCZ-HXUWFJFHSA-N 1 0 380.488 4.093 20 0 GIADRO CSc1ccccc1OC[C@@H](O)C[N@H+](Cc1cn(C(C)C)nc1C)C(C)C ZINC000414559557 824012378 /nfs/dbraw/zinc/01/23/78/824012378.db2.gz QCCLUYSSZILXDK-IBGZPJMESA-N 1 0 391.581 4.145 20 0 GIADRO COc1ccc([C@H]([NH2+][C@H]2CCN(C(=O)Nc3ccccc3)C2)C(C)C)c(F)c1 ZINC000575859541 824014485 /nfs/dbraw/zinc/01/44/85/824014485.db2.gz OPMIHLIWRFFRME-LAUBAEHRSA-N 1 0 385.483 4.427 20 0 GIADRO O=C(C[C@H]1CCCOC1)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000192506307 824014556 /nfs/dbraw/zinc/01/45/56/824014556.db2.gz YNZAEHHVUCVBGT-OAQYLSRUSA-N 1 0 392.543 4.382 20 0 GIADRO COc1ccc(C2(c3nc(-c4ccc(C[NH3+])cc4)no3)CCCC2)cc1OC ZINC000575867301 824015897 /nfs/dbraw/zinc/01/58/97/824015897.db2.gz JGDQAKSWUGHXRL-UHFFFAOYSA-N 1 0 379.460 4.073 20 0 GIADRO CC[C@H]1C[C@H](C[NH2+]C2CCN(Cc3cccc(Br)c3)CC2)CCO1 ZINC000414591878 824016698 /nfs/dbraw/zinc/01/66/98/824016698.db2.gz UASASRUOKSSMRI-UZLBHIALSA-N 1 0 395.385 4.208 20 0 GIADRO CC[C@@H]1C[C@@H](C[NH2+]C2CCN(Cc3cccc(Br)c3)CC2)CCO1 ZINC000414591876 824016738 /nfs/dbraw/zinc/01/67/38/824016738.db2.gz UASASRUOKSSMRI-OXJNMPFZSA-N 1 0 395.385 4.208 20 0 GIADRO COc1cc(C[NH2+][C@@H]2C[C@H]2c2ccco2)cc(Br)c1OC(F)F ZINC000414594665 824017193 /nfs/dbraw/zinc/01/71/93/824017193.db2.gz SAYQDMSREZLVMO-ZYHUDNBSSA-N 1 0 388.208 4.298 20 0 GIADRO CC(C)n1c(-c2cccnc2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000575877990 824018031 /nfs/dbraw/zinc/01/80/31/824018031.db2.gz IISNSOJDCGSIDZ-LJQANCHMSA-N 1 0 382.556 4.013 20 0 GIADRO CC(C)(c1nc(-c2ccc(N3CCCCC3)nc2)no1)[C@H]([NH3+])c1ccccc1 ZINC000414618446 824018010 /nfs/dbraw/zinc/01/80/10/824018010.db2.gz JOCJWECFGIWXIT-LJQANCHMSA-N 1 0 377.492 4.100 20 0 GIADRO [NH3+]C1CCC(OCc2nc(-c3ccc(OCc4ccccc4)cc3)no2)CC1 ZINC000414629350 824019286 /nfs/dbraw/zinc/01/92/86/824019286.db2.gz UEHHATKLUMPWRI-UHFFFAOYSA-N 1 0 379.460 4.102 20 0 GIADRO COc1cc(-c2noc(C(C)(C)[C@H]([NH3+])c3ccccc3)n2)ccc1OC(F)F ZINC000414633629 824019544 /nfs/dbraw/zinc/01/95/44/824019544.db2.gz ZYLVVXMWMZHJNY-MRXNPFEDSA-N 1 0 389.402 4.324 20 0 GIADRO 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 824020665 /nfs/dbraw/zinc/02/06/65/824020665.db2.gz HCLTVBBRFKDMFS-ZOBUZTSGSA-N 1 0 380.602 4.398 20 0 GIADRO C[C@@H](c1ccncc1)N(C)C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000127117933 824020835 /nfs/dbraw/zinc/02/08/35/824020835.db2.gz CZJNAVMWJYTXCE-MOPGFXCFSA-N 1 0 380.536 4.216 20 0 GIADRO CS(=O)(=O)Cc1cccc(C[NH2+]CCCCc2cccc(C(F)(F)F)c2)c1 ZINC000192531107 824020965 /nfs/dbraw/zinc/02/09/65/824020965.db2.gz WCJPZTZOECKMCD-UHFFFAOYSA-N 1 0 399.478 4.363 20 0 GIADRO CC[C@@H](C)c1ccc([C@@H](NC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)C(C)C)cc1 ZINC000414658895 824021200 /nfs/dbraw/zinc/02/12/00/824021200.db2.gz KJFNIQSOLAKYGA-ZHRRBRCNSA-N 1 0 393.531 4.255 20 0 GIADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000414683053 824023113 /nfs/dbraw/zinc/02/31/13/824023113.db2.gz SIEUKKFTWQZWMJ-VHSXEESVSA-N 1 0 383.336 4.315 20 0 GIADRO Cc1c(Cl)cccc1NC(=O)C[NH2+]C1(c2ccc(F)cc2)CCOCC1 ZINC000170971498 824023557 /nfs/dbraw/zinc/02/35/57/824023557.db2.gz TZZXHOPRWXYCAB-UHFFFAOYSA-N 1 0 376.859 4.022 20 0 GIADRO O=C(C[NH2+]C1(c2ccc(F)cc2)CCOCC1)Nc1cccc(C(F)(F)F)c1 ZINC000170971496 824023627 /nfs/dbraw/zinc/02/36/27/824023627.db2.gz GEHBJVKNFHTRJF-UHFFFAOYSA-N 1 0 396.384 4.079 20 0 GIADRO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H](CC(C)(C)C)c1ccccc1 ZINC000414688709 824023670 /nfs/dbraw/zinc/02/36/70/824023670.db2.gz DYQJJUSNJDRHSR-HXUWFJFHSA-N 1 0 381.520 4.028 20 0 GIADRO Cc1ccc2c(C[NH2+]C3(c4ccc(F)cc4)CCOCC3)cc(=O)oc2c1C ZINC000170971993 824024065 /nfs/dbraw/zinc/02/40/65/824024065.db2.gz IQPSYSXZZOMFCJ-UHFFFAOYSA-N 1 0 381.447 4.344 20 0 GIADRO Cc1ccc(NC(=O)C[NH2+]C2(c3ccc(F)cc3)CCOCC2)cc1Cl ZINC000170972030 824024223 /nfs/dbraw/zinc/02/42/23/824024223.db2.gz FCXNPGJZXRVQCS-UHFFFAOYSA-N 1 0 376.859 4.022 20 0 GIADRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N1CCC(OC2CCCCC2)CC1 ZINC000127142129 824025412 /nfs/dbraw/zinc/02/54/12/824025412.db2.gz GZTVVLWTYFDBQN-HSZRJFAPSA-N 1 0 399.579 4.347 20 0 GIADRO COc1cc(C[N@H+](C)[C@H]2CCc3ccccc3C2)cc(OC)c1OCC(F)F ZINC000575907065 824025907 /nfs/dbraw/zinc/02/59/07/824025907.db2.gz WBEVOXPCUWLNFM-SFHVURJKSA-N 1 0 391.458 4.337 20 0 GIADRO CCCOc1ccc(NC(=O)N2CCC(C[NH2+]CC)CC2)cc1OCCC ZINC000414718304 824026018 /nfs/dbraw/zinc/02/60/18/824026018.db2.gz RGYMKNURWUEASA-UHFFFAOYSA-N 1 0 377.529 4.118 20 0 GIADRO Cc1cc(NC(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)ccc1Br ZINC000414716773 824026038 /nfs/dbraw/zinc/02/60/38/824026038.db2.gz YFFFOKCQOSDGPF-PBHICJAKSA-N 1 0 380.330 4.144 20 0 GIADRO COc1ccc(OCc2ccccn2)c(C[N@@H+]2CCCCC[C@@H]2C[C@H](C)O)c1 ZINC000575907601 824026330 /nfs/dbraw/zinc/02/63/30/824026330.db2.gz NRDCANZGHWJBSH-GHTZIAJQSA-N 1 0 384.520 4.185 20 0 GIADRO COc1ccc(OCc2ccccn2)c(C[N@@H+]2CCCCC[C@H]2C[C@H](C)O)c1 ZINC000575907603 824026392 /nfs/dbraw/zinc/02/63/92/824026392.db2.gz NRDCANZGHWJBSH-RXVVDRJESA-N 1 0 384.520 4.185 20 0 GIADRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000575916226 824029024 /nfs/dbraw/zinc/02/90/24/824029024.db2.gz WKTQICDMLYFMEE-OAHLLOKOSA-N 1 0 375.463 4.082 20 0 GIADRO CCC[N@H+](CCc1ncc(C)cc1C)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000575919461 824029624 /nfs/dbraw/zinc/02/96/24/824029624.db2.gz HXWHUNUTEKEASE-UHFFFAOYSA-N 1 0 381.568 4.029 20 0 GIADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C[C@@H]2CCCc3ccccc32)cc1 ZINC000170990874 824030071 /nfs/dbraw/zinc/03/00/71/824030071.db2.gz BUAOTGOZJNKQBQ-SFHVURJKSA-N 1 0 379.504 4.026 20 0 GIADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 ZINC000414733898 824030113 /nfs/dbraw/zinc/03/01/13/824030113.db2.gz KKVFYFOVMXHVMP-MLGOLLRUSA-N 1 0 378.929 4.121 20 0 GIADRO Cc1ccc(Cc2cnc(NC(=O)N3CCC[C@H](CC[NH3+])C3)s2)cc1Cl ZINC000414733718 824030100 /nfs/dbraw/zinc/03/01/00/824030100.db2.gz KCISHNARADEZIS-CQSZACIVSA-N 1 0 392.956 4.288 20 0 GIADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000414737399 824030749 /nfs/dbraw/zinc/03/07/49/824030749.db2.gz ZCYGJIOGULZQDL-HNNXBMFYSA-N 1 0 386.462 4.143 20 0 GIADRO CCCN(C(=O)C(=O)Nc1cccc(C[NH2+]C)c1)[C@@H](C)c1cc2ccccc2o1 ZINC000414737094 824030769 /nfs/dbraw/zinc/03/07/69/824030769.db2.gz HFRKIRACNBLVES-INIZCTEOSA-N 1 0 393.487 4.091 20 0 GIADRO COc1ccccc1[C@H](NC(=O)NC1CC[NH+](CC(C)C)CC1)c1ccccc1 ZINC000170994046 824030762 /nfs/dbraw/zinc/03/07/62/824030762.db2.gz HRRHFTARYGUUGQ-HSZRJFAPSA-N 1 0 395.547 4.204 20 0 GIADRO Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000575933333 824032032 /nfs/dbraw/zinc/03/20/32/824032032.db2.gz KGOQWMSWEHTDBG-IBGZPJMESA-N 1 0 393.531 4.440 20 0 GIADRO C[C@@]1(C[NH3+])CCN(C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)C1 ZINC000414745014 824032290 /nfs/dbraw/zinc/03/22/90/824032290.db2.gz KFTJVPMFSGMJBA-INIZCTEOSA-N 1 0 384.427 4.032 20 0 GIADRO [NH3+]CCCN(Cc1ccccc1)C(=O)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000414760771 824033618 /nfs/dbraw/zinc/03/36/18/824033618.db2.gz RILGWMPBQRIJLP-UHFFFAOYSA-N 1 0 389.503 4.133 20 0 GIADRO CCCN(C(=O)N[C@@H](C)c1ccccn1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000171003287 824033719 /nfs/dbraw/zinc/03/37/19/824033719.db2.gz RPAMJLYCCCCDJW-FPOVZHCZSA-N 1 0 380.536 4.229 20 0 GIADRO [NH3+]CCC[C@@H](NC(=O)Nc1ccccc1OCC(F)(F)F)c1ccccc1 ZINC000414765455 824034244 /nfs/dbraw/zinc/03/42/44/824034244.db2.gz GBJGBJYUJHGFGN-OAHLLOKOSA-N 1 0 381.398 4.229 20 0 GIADRO COc1ccccc1Oc1ccc(NC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000414773428 824035096 /nfs/dbraw/zinc/03/50/96/824035096.db2.gz AGIKYZVXTBLQIL-IPELMVKDSA-N 1 0 381.476 4.079 20 0 GIADRO CCOCCOc1ccc(Br)cc1CNc1ccc([C@@H](C)[NH3+])cc1 ZINC000414796427 824037066 /nfs/dbraw/zinc/03/70/66/824037066.db2.gz ALJCAVWEMXAHHC-CQSZACIVSA-N 1 0 393.325 4.496 20 0 GIADRO CCOc1cc(CNc2ccc([C@H](C)[NH3+])cc2)cc(Br)c1OC ZINC000414798202 824037258 /nfs/dbraw/zinc/03/72/58/824037258.db2.gz BQOSWQJGFUYCAM-LBPRGKRZSA-N 1 0 379.298 4.488 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1ccc(-n2cc[nH]c2=S)cc1 ZINC000171013973 824037531 /nfs/dbraw/zinc/03/75/31/824037531.db2.gz XVBIAQOBZQAZSD-UHFFFAOYSA-N 1 0 394.544 4.259 20 0 GIADRO CCN(CC)C(=O)c1ccc(NC(=O)Nc2ccc([C@@H](C)[NH3+])cc2)cc1Cl ZINC000414811856 824038295 /nfs/dbraw/zinc/03/82/95/824038295.db2.gz ORQHMBQHEMSWAE-CYBMUJFWSA-N 1 0 388.899 4.486 20 0 GIADRO C[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)C2CCCC2)c1 ZINC000414818429 824039246 /nfs/dbraw/zinc/03/92/46/824039246.db2.gz VRUVIWYGZAYOAH-FQEVSTJZSA-N 1 0 399.922 4.046 20 0 GIADRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)Nc1cccc(OCC(F)(F)F)c1 ZINC000414819963 824039499 /nfs/dbraw/zinc/03/94/99/824039499.db2.gz ISWMPODDWADQLA-KRWDZBQOSA-N 1 0 381.398 4.012 20 0 GIADRO COc1ccc(CNC[C@H]([NH3+])c2ccc(C(C)C)cc2)c(Br)c1O ZINC000414822726 824039674 /nfs/dbraw/zinc/03/96/74/824039674.db2.gz FORQVLXQPQIVMB-INIZCTEOSA-N 1 0 393.325 4.076 20 0 GIADRO O=C(Nc1cc(Cl)ccc1N1CCCCC1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000414824568 824039904 /nfs/dbraw/zinc/03/99/04/824039904.db2.gz QXRWOXQGEKTBFW-QGZVFWFLSA-N 1 0 390.959 4.184 20 0 GIADRO CCCNc1ccc(CNC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000192594925 824040929 /nfs/dbraw/zinc/04/09/29/824040929.db2.gz GFZWXLGWJWQJAY-UHFFFAOYSA-N 1 0 394.563 4.315 20 0 GIADRO CC(C)(C)c1cc(NC(=O)N2CCC(C[NH3+])CC2)n(-c2cccc(Cl)c2)n1 ZINC000414847260 824041746 /nfs/dbraw/zinc/04/17/46/824041746.db2.gz IJKVGVCNNRLTSF-UHFFFAOYSA-N 1 0 389.931 4.026 20 0 GIADRO CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@@H](c2ccccc2)C2CC2)c1 ZINC000192598305 824041886 /nfs/dbraw/zinc/04/18/86/824041886.db2.gz DKEXCQBZBZIWPV-VGSWGCGISA-N 1 0 393.531 4.237 20 0 GIADRO COc1ccccc1[C@H](NC(=O)C1CC[NH+](C2CC2)CC1)c1ccccc1Cl ZINC000192599109 824042243 /nfs/dbraw/zinc/04/22/43/824042243.db2.gz HYMIZMVSAOPHDY-JOCHJYFZSA-N 1 0 398.934 4.429 20 0 GIADRO Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000414854900 824042579 /nfs/dbraw/zinc/04/25/79/824042579.db2.gz VKELBFFMZMSCGY-DLBZAZTESA-N 1 0 383.540 4.069 20 0 GIADRO Cc1cc(C[N@H+](C)Cc2cccc(OC(F)(F)F)c2)ccc1-n1cncn1 ZINC000575976135 824042763 /nfs/dbraw/zinc/04/27/63/824042763.db2.gz TZKZPNWTJIOGEH-UHFFFAOYSA-N 1 0 376.382 4.106 20 0 GIADRO COc1ccccc1-c1noc(C2CC[NH+](Cc3cnc(C4CC4)s3)CC2)n1 ZINC000575976406 824042845 /nfs/dbraw/zinc/04/28/45/824042845.db2.gz XRKXAKYPRVVWGA-UHFFFAOYSA-N 1 0 396.516 4.459 20 0 GIADRO Cc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000414856307 824043057 /nfs/dbraw/zinc/04/30/57/824043057.db2.gz YRHGMGXPHNNBHH-SJORKVTESA-N 1 0 383.540 4.069 20 0 GIADRO CC(C)Oc1ccc(C[NH+]2CCC(C(=O)NCc3ccc(F)cc3)CC2)cc1 ZINC000171032985 824043379 /nfs/dbraw/zinc/04/33/79/824043379.db2.gz BTMVERWXZLNANE-UHFFFAOYSA-N 1 0 384.495 4.141 20 0 GIADRO CC[NH2+]Cc1cccc(NCc2csc(COc3ccc(OC)cc3)n2)c1 ZINC000414865220 824043508 /nfs/dbraw/zinc/04/35/08/824043508.db2.gz KKSJEWYMMPFWDX-UHFFFAOYSA-N 1 0 383.517 4.452 20 0 GIADRO COc1cc(SC)ccc1NC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000575981942 824043842 /nfs/dbraw/zinc/04/38/42/824043842.db2.gz NNLQBJNFUXIWKO-QGZVFWFLSA-N 1 0 393.940 4.495 20 0 GIADRO Cc1cc(Br)cc(C)c1NC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000414875860 824043916 /nfs/dbraw/zinc/04/39/16/824043916.db2.gz CLMRDVLNZPRUDK-UHFFFAOYSA-N 1 0 376.298 4.059 20 0 GIADRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000414881257 824044649 /nfs/dbraw/zinc/04/46/49/824044649.db2.gz ADQSJABRCZKQIA-SJORKVTESA-N 1 0 395.507 4.278 20 0 GIADRO CCC(=O)Nc1ccc(Cl)c(NC(=O)NC[C@H]([NH3+])c2ccccc2CC)c1 ZINC000414881939 824044703 /nfs/dbraw/zinc/04/47/03/824044703.db2.gz BEWQNMNNBQCOLV-KRWDZBQOSA-N 1 0 388.899 4.072 20 0 GIADRO CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@@H](C)c1ccc(-n3cncn3)cc1)CCC2 ZINC000192610687 824045253 /nfs/dbraw/zinc/04/52/53/824045253.db2.gz QUVCDQPDTXXCFA-MAUKXSAKSA-N 1 0 394.475 4.074 20 0 GIADRO CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+][C@@H](C)c1ccc(-n3cncn3)cc1)CCC2 ZINC000192610672 824045382 /nfs/dbraw/zinc/04/53/82/824045382.db2.gz QUVCDQPDTXXCFA-YJBOKZPZSA-N 1 0 394.475 4.074 20 0 GIADRO Cc1ccc(NC(=O)C(C)C)cc1NC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000414887222 824045498 /nfs/dbraw/zinc/04/54/98/824045498.db2.gz QPHHTQPNMXRFBQ-LJQANCHMSA-N 1 0 382.508 4.191 20 0 GIADRO Cc1nc(-c2cccnc2)nc(N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1C ZINC000575992754 824045713 /nfs/dbraw/zinc/04/57/13/824045713.db2.gz IVIFHPQTGPIEJI-RUZDIDTESA-N 1 0 399.542 4.258 20 0 GIADRO CC(C)c1nccn1Cc1cccc(NC(=O)NCc2ccc([C@@H](C)[NH3+])cc2)c1 ZINC000414915227 824049516 /nfs/dbraw/zinc/04/95/16/824049516.db2.gz ZFAYWTICHZHLGG-QGZVFWFLSA-N 1 0 391.519 4.396 20 0 GIADRO Cc1ccc(Br)c(NC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)c1 ZINC000576016523 824050501 /nfs/dbraw/zinc/05/05/01/824050501.db2.gz BMTGUXXZARQWNX-KRWDZBQOSA-N 1 0 394.288 4.321 20 0 GIADRO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@@H]1CCCc2cc(N)ccc21 ZINC000414927133 824050938 /nfs/dbraw/zinc/05/09/38/824050938.db2.gz MAJSYYJAUGYTOH-QVKFZJNVSA-N 1 0 385.939 4.326 20 0 GIADRO C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@H]1CCCc2cc(N)ccc21 ZINC000414924255 824051060 /nfs/dbraw/zinc/05/10/60/824051060.db2.gz INJVCAXUYFSJSZ-AOMKIAJQSA-N 1 0 391.515 4.091 20 0 GIADRO C[C@@H]([NH3+])c1ccc(NC(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)cc1 ZINC000414931579 824051500 /nfs/dbraw/zinc/05/15/00/824051500.db2.gz BWQDVGBOZGPVJY-MRXNPFEDSA-N 1 0 380.492 4.367 20 0 GIADRO Fc1ccc([C@@H]2CC[NH2+]C[C@H]2NCc2csc(-c3ccsc3)n2)cc1F ZINC000414928396 824051510 /nfs/dbraw/zinc/05/15/10/824051510.db2.gz BAUSVFUIOPJLAQ-MAUKXSAKSA-N 1 0 391.512 4.385 20 0 GIADRO CSc1cc2c(cc1CN[C@@H](C[NH3+])c1ccc3ccccc3c1)OCCO2 ZINC000414946607 824053362 /nfs/dbraw/zinc/05/33/62/824053362.db2.gz UFEKWIFXXAEMGT-IBGZPJMESA-N 1 0 380.513 4.123 20 0 GIADRO CC[C@H](c1ccccc1)[NH+]1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1 ZINC000171065616 824053578 /nfs/dbraw/zinc/05/35/78/824053578.db2.gz SIARUDWGFXYXQI-IIBYNOLFSA-N 1 0 392.499 4.452 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1c(F)cc(C(F)(F)F)cc1F ZINC000576032262 824054200 /nfs/dbraw/zinc/05/42/00/824054200.db2.gz CHUQFNDEPCMKHS-LBPRGKRZSA-N 1 0 378.385 4.368 20 0 GIADRO COc1ccc(C[C@](C)(O)C[NH2+][C@@H]2CCC[C@@H]2c2ccc(F)cc2)cc1OC ZINC000576033590 824054210 /nfs/dbraw/zinc/05/42/10/824054210.db2.gz PTDYWVYKZDGXDV-VIZSFHNOSA-N 1 0 387.495 4.062 20 0 GIADRO COc1cc(C[NH2+]Cc2cc(C)cc(N)c2)cc(OC)c1OCc1ccccc1 ZINC000414966249 824055255 /nfs/dbraw/zinc/05/52/55/824055255.db2.gz OIWRPTJNIFFFNC-UHFFFAOYSA-N 1 0 392.499 4.463 20 0 GIADRO CCCOc1ccc(NC(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c(C)c1 ZINC000414972072 824055864 /nfs/dbraw/zinc/05/58/64/824055864.db2.gz LVSGQOQICGWDAV-GHTZIAJQSA-N 1 0 399.510 4.438 20 0 GIADRO Cc1cc(C(=O)Nc2cc(Cl)ccc2N2CC[NH+](C)CC2)c2ccccc2n1 ZINC000016002897 210182071 /nfs/dbraw/zinc/18/20/71/210182071.db2.gz GKKYJVZJFXLUBJ-UHFFFAOYSA-N 1 0 394.906 4.201 20 0 GIADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N(C)[C@H](c2cccc(F)c2)c2ccccn2)C1 ZINC000359928347 209203534 /nfs/dbraw/zinc/20/35/34/209203534.db2.gz QVRVZFFQWSBBGT-XMSQKQJNSA-N 1 0 398.526 4.072 20 0 GIADRO Cc1c2cc(Br)ccc2oc1C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000072005405 211067602 /nfs/dbraw/zinc/06/76/02/211067602.db2.gz UDNOJSBLZRUDBL-CYBMUJFWSA-N 1 0 393.325 4.356 20 0 GIADRO [NH3+]CC1(F)CCN(C(F)(F)c2ccc(OCc3ccc(Cl)nc3)cc2)CC1 ZINC001164386824 718813467 /nfs/dbraw/zinc/81/34/67/718813467.db2.gz ASOAXQNISXLSFK-UHFFFAOYSA-N 1 0 399.844 4.126 20 0 GIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3c4ccccc4NC(=O)[C@@H]3C2)nc1 ZINC001164400897 718858989 /nfs/dbraw/zinc/85/89/89/718858989.db2.gz AQTKMXMYIPXOGC-KCZVDYSFSA-N 1 0 390.531 4.191 20 0 GIADRO FC(F)(c1ccc2c(Cl)ncnc2c1)N1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001164419693 718891530 /nfs/dbraw/zinc/89/15/30/718891530.db2.gz QUTJYFVNDZTIKS-QGZVFWFLSA-N 1 0 380.870 4.187 20 0 GIADRO FC(F)(c1nc(Cl)c2ccccc2n1)N1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001164416634 718891581 /nfs/dbraw/zinc/89/15/81/718891581.db2.gz FGUKLPMILOSHBF-INIZCTEOSA-N 1 0 380.870 4.187 20 0 GIADRO Fc1ccc2nc(C(F)(F)N3CCCC[C@H]3C3CC[NH2+]CC3)nc(Cl)c2c1 ZINC001164420666 718891994 /nfs/dbraw/zinc/89/19/94/718891994.db2.gz VLOIIXVDGTXOKH-INIZCTEOSA-N 1 0 398.860 4.326 20 0 GIADRO CSc1cnc(Cl)c(C(F)(F)N2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)c1 ZINC001164425193 718945219 /nfs/dbraw/zinc/94/52/19/718945219.db2.gz TVEIPKRJXFAOBD-GOEBONIOSA-N 1 0 381.879 4.077 20 0 GIADRO Clc1ccc2c(c1)ncnc2N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164627775 719071183 /nfs/dbraw/zinc/07/11/83/719071183.db2.gz QPOCWDCAOAPMDM-UTKZUKDTSA-N 1 0 378.907 4.384 20 0 GIADRO c1ccc(C[N@@H+]2C[C@@H]3CCCN(c4ncnc5[nH]c6ccccc6c54)[C@@H]3C2)cc1 ZINC001164629859 719082431 /nfs/dbraw/zinc/08/24/31/719082431.db2.gz ZOYGTCRZHYAYAA-GHTZIAJQSA-N 1 0 383.499 4.212 20 0 GIADRO Clc1ccc2cnc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)nc2c1 ZINC001164623619 719083363 /nfs/dbraw/zinc/08/33/63/719083363.db2.gz JZQVZYPYZBRDTA-GHTZIAJQSA-N 1 0 378.907 4.384 20 0 GIADRO Clc1ccnc2cnc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)cc12 ZINC001164628922 719085845 /nfs/dbraw/zinc/08/58/45/719085845.db2.gz UWSLYDRGTIEAQF-LAUBAEHRSA-N 1 0 378.907 4.384 20 0 GIADRO c1ccc(Cc2nccc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)n2)cc1 ZINC001164629857 719103605 /nfs/dbraw/zinc/10/36/05/719103605.db2.gz TYZHIULCJHTMAO-GOTSBHOMSA-N 1 0 384.527 4.168 20 0 GIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ncnc4c(F)cccc42)CC3)cs1 ZINC001164694427 719807688 /nfs/dbraw/zinc/80/76/88/719807688.db2.gz XNSFYBPMIVREDK-UHFFFAOYSA-N 1 0 397.523 4.169 20 0 GIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(Cl)nc3ccccc31)C2 ZINC001164809346 720066136 /nfs/dbraw/zinc/06/61/36/720066136.db2.gz JPHVMXLQUAAGPF-VGOFRKELSA-N 1 0 385.939 4.073 20 0 GIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nccc3cccc(Cl)c31)C2 ZINC001164814468 720122279 /nfs/dbraw/zinc/12/22/79/720122279.db2.gz SZQXCMGCBAMLBQ-XMSQKQJNSA-N 1 0 385.939 4.073 20 0 GIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)cc3cc(C)ccc31)C2 ZINC001164813193 720147383 /nfs/dbraw/zinc/14/73/83/720147383.db2.gz PSVFCMKZFSHJBB-XXBNENTESA-N 1 0 399.966 4.381 20 0 GIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)cc3cccc(C)c31)C2 ZINC001164813037 720194933 /nfs/dbraw/zinc/19/49/33/720194933.db2.gz BZDZVXBGDDRUPN-AUSIDOKSSA-N 1 0 399.966 4.381 20 0 GIADRO CC(C)c1cc2c(ncnc2N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)s1 ZINC001164722141 720330229 /nfs/dbraw/zinc/33/02/29/720330229.db2.gz FENQXTYLNCCHGO-ZWKOTPCHSA-N 1 0 379.533 4.063 20 0 GIADRO Clc1cc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c(-c2ccccc2)nn1 ZINC001164730288 720385098 /nfs/dbraw/zinc/38/50/98/720385098.db2.gz WMMLFOQYUAGXQR-MOPGFXCFSA-N 1 0 391.906 4.045 20 0 GIADRO COc1cnc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c2cc(Cl)ccc12 ZINC001164731293 720385157 /nfs/dbraw/zinc/38/51/57/720385157.db2.gz ZAMZPEOJQOIKMT-VQTJNVASSA-N 1 0 394.906 4.145 20 0 GIADRO Cc1cc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)nc2cc(Cl)ccc12 ZINC001164728931 720407228 /nfs/dbraw/zinc/40/72/28/720407228.db2.gz UIMNXLYIFLXLLQ-NHCUHLMSSA-N 1 0 378.907 4.445 20 0 GIADRO Fc1ccc(Cl)c2ccc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)nc12 ZINC001164724785 720473618 /nfs/dbraw/zinc/47/36/18/720473618.db2.gz HHTYKOTZEKIRRH-RTBURBONSA-N 1 0 382.870 4.276 20 0 GIADRO Clc1cc(C2CCCCC2)nc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164724433 720475630 /nfs/dbraw/zinc/47/56/30/720475630.db2.gz GHFBZQGHIKIJNK-PMACEKPBSA-N 1 0 397.954 4.426 20 0 GIADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(C3CC3)ccn1)CC2 ZINC001164845444 720696915 /nfs/dbraw/zinc/69/69/15/720696915.db2.gz ZYLCKMSRMBLAGE-JOCHJYFZSA-N 1 0 377.532 4.219 20 0 GIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCOC[C@H]2c2csc(C)n2)nc1 ZINC001164745460 720865169 /nfs/dbraw/zinc/86/51/69/720865169.db2.gz DPLJJIRKYDWTLP-UXHICEINSA-N 1 0 386.565 4.361 20 0 GIADRO Cc1cccc2c1nc(Cl)nc2N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001164856160 720946863 /nfs/dbraw/zinc/94/68/63/720946863.db2.gz BUWMDOHQVVFMAC-OAHLLOKOSA-N 1 0 398.942 4.210 20 0 GIADRO CC[C@H](C)c1nc2[nH]ccc2c(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)n1 ZINC001164861032 721024290 /nfs/dbraw/zinc/02/42/90/721024290.db2.gz NBJYLEPYSVSQHL-HOTGVXAUSA-N 1 0 395.555 4.089 20 0 GIADRO CCOc1ccc(N2CCC3(CC2)CC[NH+](Cc2ccc(C)cc2)CC3)nn1 ZINC001164761609 721042106 /nfs/dbraw/zinc/04/21/06/721042106.db2.gz GOSLAIDRZDQFKO-UHFFFAOYSA-N 1 0 380.536 4.066 20 0 GIADRO Cc1ccc(C[NH+]2CCC3(CCN(c4nnc5ccccc5n4)CC3)CC2)cc1 ZINC001164760600 721046224 /nfs/dbraw/zinc/04/62/24/721046224.db2.gz XNNZZKPABNTTJN-UHFFFAOYSA-N 1 0 387.531 4.216 20 0 GIADRO Cc1nc2ccccc2c(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164793831 721491870 /nfs/dbraw/zinc/49/18/70/721491870.db2.gz XVEVOVIIPPQQBS-UHFFFAOYSA-N 1 0 387.531 4.214 20 0 GIADRO COc1ccc(Cl)c(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164791994 721495963 /nfs/dbraw/zinc/49/59/63/721495963.db2.gz IVOYBUOKGLNVGF-UHFFFAOYSA-N 1 0 386.927 4.020 20 0 GIADRO CCCc1cc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)nc(C)n1 ZINC001164795712 721497745 /nfs/dbraw/zinc/49/77/45/721497745.db2.gz KAVQDOGIAHDRRA-UHFFFAOYSA-N 1 0 379.552 4.014 20 0 GIADRO Cc1ccc2ccnc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c2c1 ZINC001164903463 721532500 /nfs/dbraw/zinc/53/25/00/721532500.db2.gz CTWNXVDHVVCQGA-TZIWHRDSSA-N 1 0 377.463 4.024 20 0 GIADRO Cc1nc2sccc2c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165028868 721798782 /nfs/dbraw/zinc/79/87/82/721798782.db2.gz ZYRFNGZBVWBEMK-VDGAXYAQSA-N 1 0 393.560 4.132 20 0 GIADRO Cc1csc2ncnc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c12 ZINC001165019638 721799174 /nfs/dbraw/zinc/79/91/74/721799174.db2.gz DKDZUCGRNFEXGZ-UHOSZYNNSA-N 1 0 393.560 4.132 20 0 GIADRO Cc1cccc2c1ncnc2N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165018583 721806183 /nfs/dbraw/zinc/80/61/83/721806183.db2.gz BJYFBPACRIJWOA-BWAGFHJFSA-N 1 0 387.531 4.070 20 0 GIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(Cl)nc4c3CCC4)C[C@@H]21 ZINC001165025006 721807028 /nfs/dbraw/zinc/80/70/28/721807028.db2.gz NAUJJOWJWALGFY-NBHGPNQESA-N 1 0 396.966 4.356 20 0 GIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc4ccsc4cn3)C[C@@H]21 ZINC001165026016 721816596 /nfs/dbraw/zinc/81/65/96/721816596.db2.gz OTUIZRXQRSOQDM-YSIASYRMSA-N 1 0 378.545 4.428 20 0 GIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc4ccsc4cn3)C[C@@H]21 ZINC001165026019 721816834 /nfs/dbraw/zinc/81/68/34/721816834.db2.gz OTUIZRXQRSOQDM-YZGWKJHDSA-N 1 0 378.545 4.428 20 0 GIADRO CC(C)COc1cccc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165027314 721820188 /nfs/dbraw/zinc/82/01/88/721820188.db2.gz UHDMOCNJIVDXAJ-NNWRFLSQSA-N 1 0 394.563 4.248 20 0 GIADRO Cc1cc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc(C(C)C)n1 ZINC001165021540 721823457 /nfs/dbraw/zinc/82/34/57/721823457.db2.gz GAOMDCVNAMOKKL-SESVDKBCSA-N 1 0 379.552 4.040 20 0 GIADRO Cc1cc2cccnc2c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165023068 721828418 /nfs/dbraw/zinc/82/84/18/721828418.db2.gz HJVBTSUXAXDYNZ-KSEOMHKRSA-N 1 0 387.531 4.070 20 0 GIADRO c1csc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3c2nc(C3CCC3)nc3[nH]ccc32)c1 ZINC001164937488 721914704 /nfs/dbraw/zinc/91/47/04/721914704.db2.gz LURRMZOANDRDSS-IYBDPMFKSA-N 1 0 379.533 4.140 20 0 GIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccc5ccccc5n4)CC3)C2)cc1 ZINC001164937930 721920343 /nfs/dbraw/zinc/92/03/43/721920343.db2.gz HQYYHYWFSQSLCO-UHFFFAOYSA-N 1 0 387.527 4.415 20 0 GIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(Cl)ncc4F)CC3)C2)cc1 ZINC001164940904 721925273 /nfs/dbraw/zinc/92/52/73/721925273.db2.gz WAXNNBKEFHULIY-UHFFFAOYSA-N 1 0 389.902 4.054 20 0 GIADRO C[NH+](C)CC1CCN(C(F)(F)c2ccc(-c3ccc(Cl)nn3)cc2)CC1 ZINC001165045717 721949442 /nfs/dbraw/zinc/94/94/42/721949442.db2.gz XULKEGPUNPEUMP-UHFFFAOYSA-N 1 0 380.870 4.120 20 0 GIADRO CC(C)(C)NC(=O)c1cc(Cl)nc(N2CCCC[C@H]2CC[NH+]2CCCC2)c1 ZINC001165049703 721971798 /nfs/dbraw/zinc/97/17/98/721971798.db2.gz VJXIOLCQEMMMCS-KRWDZBQOSA-N 1 0 392.975 4.108 20 0 GIADRO COc1cccc(Oc2cncc(N3CCCC[C@@H]3CC[NH+]3CCCC3)n2)c1 ZINC001165049846 721973493 /nfs/dbraw/zinc/97/34/93/721973493.db2.gz SEWQGMSOKMXNAC-GOSISDBHSA-N 1 0 382.508 4.122 20 0 GIADRO FC(F)(c1cnc2c(Cl)ncnc2c1)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001165050482 721974304 /nfs/dbraw/zinc/97/43/04/721974304.db2.gz YVKCGDSLMVAXCR-HNNXBMFYSA-N 1 0 395.885 4.068 20 0 GIADRO COc1cccc2ccc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)nc21 ZINC001164952526 722015275 /nfs/dbraw/zinc/01/52/75/722015275.db2.gz MTYRQLNQOTZVGM-UHFFFAOYSA-N 1 0 388.515 4.131 20 0 GIADRO COc1ccc2ccnc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)c2c1 ZINC001164956066 722020610 /nfs/dbraw/zinc/02/06/10/722020610.db2.gz VYBLCVKCHBPBGI-UHFFFAOYSA-N 1 0 388.515 4.131 20 0 GIADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2nnc(Cl)c4ccncc42)C3)c1 ZINC001164993653 722194479 /nfs/dbraw/zinc/19/44/79/722194479.db2.gz GVRCZSAZJTYQDI-NRFANRHFSA-N 1 0 397.885 4.062 20 0 GIADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2nc(Cl)nc4cccnc42)C3)c1 ZINC001164992827 722195750 /nfs/dbraw/zinc/19/57/50/722195750.db2.gz BCACTZYHXRULAG-NRFANRHFSA-N 1 0 397.885 4.062 20 0 GIADRO Cc1ccc(-c2ccc(N3CCC[C@@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)nn2)o1 ZINC001164993778 722209720 /nfs/dbraw/zinc/20/97/20/722209720.db2.gz BGRMAHFMMOFYKW-HSZRJFAPSA-N 1 0 392.478 4.429 20 0 GIADRO c1ccc(C[C@@H]2[C@@H](OCC3CC3)CCN2c2ccc(C[NH+]3CCCC3)cn2)cc1 ZINC001165005713 722271903 /nfs/dbraw/zinc/27/19/03/722271903.db2.gz JCEXDBHRSQSQLF-RPWUZVMVSA-N 1 0 391.559 4.294 20 0 GIADRO O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccnn1C1CCCC1 ZINC000570493784 823046047 /nfs/dbraw/zinc/04/60/47/823046047.db2.gz ZGVJSCIXMJXXNI-HXUWFJFHSA-N 1 0 380.536 4.030 20 0 GIADRO CCc1cc2c(C[N@@H+]3CCC[C@@H]3C[C@H](O)c3cccs3)cc(=O)oc2cc1O ZINC000175814447 823046590 /nfs/dbraw/zinc/04/65/90/823046590.db2.gz NUDNSBDZTCVQCG-APWZRJJASA-N 1 0 399.512 4.211 20 0 GIADRO CC1CC[NH+](Cc2ccccc2CNC(=O)N2CCC([C@H]3CCCO3)CC2)CC1 ZINC000187343704 823046631 /nfs/dbraw/zinc/04/66/31/823046631.db2.gz UPWDESYYAZUDLA-HSZRJFAPSA-N 1 0 399.579 4.019 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H](C)C[C@@H](O)c1ccc(F)cc1 ZINC000187345660 823046821 /nfs/dbraw/zinc/04/68/21/823046821.db2.gz RDBGVQUAXGTFSX-KSFYIVLOSA-N 1 0 380.463 4.498 20 0 GIADRO C[C@H]1C[C@@H](NC(=O)N2CC(C)(CC(F)(F)F)C2)CC[N@@H+]1Cc1ccccc1 ZINC000458490967 823046947 /nfs/dbraw/zinc/04/69/47/823046947.db2.gz JMJNOMOOIATNCU-RDJZCZTQSA-N 1 0 383.458 4.023 20 0 GIADRO C[C@H]([NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000570502281 823047223 /nfs/dbraw/zinc/04/72/23/823047223.db2.gz NTLSZYROOKGRHT-AQKFKSFVSA-N 1 0 389.511 4.213 20 0 GIADRO COc1ccc(COCC[NH2+]Cc2cc(-c3ccncc3)ccc2OC)cc1 ZINC000187350566 823047379 /nfs/dbraw/zinc/04/73/79/823047379.db2.gz QBCLRLODMFWNFS-UHFFFAOYSA-N 1 0 378.472 4.072 20 0 GIADRO COc1c(Br)cccc1C[NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000187353658 823048181 /nfs/dbraw/zinc/04/81/81/823048181.db2.gz SFYFSCISYNIZNS-WMZOPIPTSA-N 1 0 398.247 4.356 20 0 GIADRO O[C@H](C[NH2+][C@@H]1CCO[C@H](c2ccc(F)cc2)C1)COc1ccc2ccccc2c1 ZINC000570509864 823048234 /nfs/dbraw/zinc/04/82/34/823048234.db2.gz IWPGXRIDLSGLQR-AKFKNWHVSA-N 1 0 395.474 4.229 20 0 GIADRO COc1c(Br)cccc1CN[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000187357001 823048844 /nfs/dbraw/zinc/04/88/44/823048844.db2.gz OYGLLODBWARIKQ-GOEBONIOSA-N 1 0 381.358 4.200 20 0 GIADRO Cc1csc([C@@H](NC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C2CC2)n1 ZINC000175825250 823048853 /nfs/dbraw/zinc/04/88/53/823048853.db2.gz WHBGFRFGWDNMLC-ICSRJNTNSA-N 1 0 398.576 4.066 20 0 GIADRO C[C@H]1C[C@@H](NC(=O)NC2CCC(C(F)F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000458509667 823049154 /nfs/dbraw/zinc/04/91/54/823049154.db2.gz WRWPCMGTAFZAMQ-RXQRSOPUSA-N 1 0 379.495 4.163 20 0 GIADRO C[N@H+](CC(=O)Nc1c(Cl)cccc1C(F)(F)F)CC1(O)CCCCCC1 ZINC000187361266 823049559 /nfs/dbraw/zinc/04/95/59/823049559.db2.gz ATQRNFIGMZKLLS-UHFFFAOYSA-N 1 0 392.849 4.314 20 0 GIADRO Cc1coc(-c2ccc(C)c(NC(=O)[C@H]3CC[N@H+](Cc4ccccc4)C3)c2)n1 ZINC000570527704 823049888 /nfs/dbraw/zinc/04/98/88/823049888.db2.gz WIKQXPQROAFBQL-FQEVSTJZSA-N 1 0 375.472 4.419 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(NC(=O)OC(C)(C)C)cc2)[C@H](C)C1 ZINC000120730057 823053915 /nfs/dbraw/zinc/05/39/15/823053915.db2.gz CNINKRXMWHVCHI-QAPCUYQASA-N 1 0 390.528 4.228 20 0 GIADRO COc1cccc2c1[C@@H](C(=O)NC1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)CC2 ZINC000570532789 823050838 /nfs/dbraw/zinc/05/08/38/823050838.db2.gz CGXZOZVPTRRSDB-KBRMVUAJSA-N 1 0 390.527 4.037 20 0 GIADRO Cc1ccc(NC(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)s1 ZINC000175834154 823050863 /nfs/dbraw/zinc/05/08/63/823050863.db2.gz WCKZHAFGFYXXCG-UHFFFAOYSA-N 1 0 376.501 4.370 20 0 GIADRO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H](C)c2sc(-c3ccccc3)nc2C)C1 ZINC000175834090 823050962 /nfs/dbraw/zinc/05/09/62/823050962.db2.gz AFNOSAGQWBOENT-FUHWJXTLSA-N 1 0 386.565 4.305 20 0 GIADRO CC(C)CC1(CNC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)CCC1 ZINC000458532115 823051878 /nfs/dbraw/zinc/05/18/78/823051878.db2.gz JGHHXPDSQLEOJK-UHFFFAOYSA-N 1 0 377.495 4.261 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@H]2CCCN(Cc3ccccn3)C2=O)c2ccccc12 ZINC000570551122 823053213 /nfs/dbraw/zinc/05/32/13/823053213.db2.gz TWTCFUOYQYBPSQ-JTSKRJEESA-N 1 0 389.499 4.085 20 0 GIADRO Cc1cccc(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1Br ZINC000120726041 823053215 /nfs/dbraw/zinc/05/32/15/823053215.db2.gz BHBKGMQUTAMEEQ-OAHLLOKOSA-N 1 0 392.297 4.309 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NS(=O)(=O)c2ccc(C(F)F)cc2)CC1 ZINC000570554212 823053456 /nfs/dbraw/zinc/05/34/56/823053456.db2.gz LBMIHUSZFJKKLI-HNNXBMFYSA-N 1 0 394.487 4.128 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(Sc2ccccc2)cc1)C1CCS(=O)(=O)CC1 ZINC000187384264 823053816 /nfs/dbraw/zinc/05/38/16/823053816.db2.gz SZIZXWNACSAFER-MRXNPFEDSA-N 1 0 375.559 4.141 20 0 GIADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1cccc(OCc2cscn2)c1 ZINC000175846520 823053888 /nfs/dbraw/zinc/05/38/88/823053888.db2.gz UFKXBKOUMRZNBT-SFHVURJKSA-N 1 0 388.537 4.060 20 0 GIADRO Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+]CCc1nn(C)c2ccccc12 ZINC000187393689 823055018 /nfs/dbraw/zinc/05/50/18/823055018.db2.gz FAFTXOXAVSZHID-UHFFFAOYSA-N 1 0 379.895 4.053 20 0 GIADRO O=C(c1ccc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)cc1)N1CCCC1 ZINC000175850134 823055292 /nfs/dbraw/zinc/05/52/92/823055292.db2.gz FMJYJZHERYYXJD-UXHICEINSA-N 1 0 384.545 4.072 20 0 GIADRO CC1(C)CCC[NH2+][C@H]1C(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1 ZINC000570562563 823055319 /nfs/dbraw/zinc/05/53/19/823055319.db2.gz YAKRICQMZVLNSK-SFHVURJKSA-N 1 0 391.943 4.119 20 0 GIADRO [NH3+]CCC1CCN(C(=O)c2ccc(Oc3cccc(Cl)c3Cl)nc2)CC1 ZINC000570578451 823056893 /nfs/dbraw/zinc/05/68/93/823056893.db2.gz KRUIUJUXGVNTME-UHFFFAOYSA-N 1 0 394.302 4.382 20 0 GIADRO CC(C)C[C@@H](CNC(=O)NCc1cnc(C2CC2)o1)[NH2+][C@@H](C)c1ccccc1 ZINC000458565553 823056914 /nfs/dbraw/zinc/05/69/14/823056914.db2.gz UBDQWIVPPJHJAF-LPHOPBHVSA-N 1 0 384.524 4.117 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000120752188 823057019 /nfs/dbraw/zinc/05/70/19/823057019.db2.gz OUKROKFPLGYDOZ-VXKWHMMOSA-N 1 0 398.934 4.287 20 0 GIADRO COc1cc(OC)c([C@H](C)[NH2+]CCc2cc(F)cc3c2OCOC3)cc1Cl ZINC000120751534 823057090 /nfs/dbraw/zinc/05/70/90/823057090.db2.gz RUTQYCVYVJYGHC-LBPRGKRZSA-N 1 0 395.858 4.256 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1)c1ncc(Br)cc1F ZINC000187407364 823057082 /nfs/dbraw/zinc/05/70/82/823057082.db2.gz QJAZYQJRLZPERZ-XLKFXECMSA-N 1 0 391.643 4.160 20 0 GIADRO C[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)c(F)c1)c1ncc(Br)cc1F ZINC000187407330 823057103 /nfs/dbraw/zinc/05/71/03/823057103.db2.gz QJAZYQJRLZPERZ-CLAHSXSESA-N 1 0 391.643 4.160 20 0 GIADRO CCCc1c(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cnn1-c1ccc(C)cc1 ZINC000570579557 823057269 /nfs/dbraw/zinc/05/72/69/823057269.db2.gz FCYALQFZXDESAM-HXUWFJFHSA-N 1 0 395.551 4.225 20 0 GIADRO C[C@H](NC(=O)C[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1)c1cccs1 ZINC000175859895 823057297 /nfs/dbraw/zinc/05/72/97/823057297.db2.gz KSFWHIJFHRLTHL-BBWFWOEESA-N 1 0 392.590 4.355 20 0 GIADRO O=c1[nH]c2ccccc2cc1C[N@H+]1CCCCC[C@H]1C[C@H](O)c1cccs1 ZINC000175859492 823057352 /nfs/dbraw/zinc/05/73/52/823057352.db2.gz FTCOESCJRIXZSA-ICSRJNTNSA-N 1 0 382.529 4.458 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[C@@](F)(c3ccccc3)C2)CC1 ZINC000570584609 823057655 /nfs/dbraw/zinc/05/76/55/823057655.db2.gz KDLWIVSUUVKIBZ-DVECYGJZSA-N 1 0 395.522 4.492 20 0 GIADRO CSc1ccc(CNC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000175862864 823058000 /nfs/dbraw/zinc/05/80/00/823058000.db2.gz IAOTYUWLEDXOSM-HXUWFJFHSA-N 1 0 383.561 4.072 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(OCc2ccccc2F)nc1)c1ccc2c(c1)OCO2 ZINC000187409979 823058036 /nfs/dbraw/zinc/05/80/36/823058036.db2.gz GNVBQNJQMNYITC-HNNXBMFYSA-N 1 0 380.419 4.379 20 0 GIADRO Cc1ccc(Cl)c(NC(=O)N(C)C2CC[NH+](CCc3ccncc3)CC2)c1 ZINC000120782155 823063046 /nfs/dbraw/zinc/06/30/46/823063046.db2.gz AKBXNADLNRQLPO-UHFFFAOYSA-N 1 0 386.927 4.214 20 0 GIADRO CC(C)[NH+](CCCNC(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1)C(C)C ZINC000175868381 823059619 /nfs/dbraw/zinc/05/96/19/823059619.db2.gz MESJCGGJJOHXOX-HHHXNRCGSA-N 1 0 395.613 4.364 20 0 GIADRO Cc1nn(C)c(C)c1CCC[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000187419908 823060215 /nfs/dbraw/zinc/06/02/15/823060215.db2.gz PQJWZCLADZNWBE-GFCCVEGCSA-N 1 0 380.330 4.097 20 0 GIADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)N[C@@H](c3cccc(C(F)(F)F)c3)C3CC3)C2)C1 ZINC000458590873 823060205 /nfs/dbraw/zinc/06/02/05/823060205.db2.gz CYKMPCZKZORLMS-QUCCMNQESA-N 1 0 395.469 4.284 20 0 GIADRO COc1cc(NC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(Cl)c(OC)c1 ZINC000570617642 823063205 /nfs/dbraw/zinc/06/32/05/823063205.db2.gz BVTRJZSQGSCLKF-KGLIPLIRSA-N 1 0 395.931 4.132 20 0 GIADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000175872996 823060930 /nfs/dbraw/zinc/06/09/30/823060930.db2.gz SJUPDGSFBYVGJO-FDDCHVKYSA-N 1 0 396.531 4.449 20 0 GIADRO O=C(N[C@@H]1CC[C@H](c2cccc(Cl)c2)C1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000570605662 823061260 /nfs/dbraw/zinc/06/12/60/823061260.db2.gz AKYOEPZBAAQIHD-JAXLGGSGSA-N 1 0 397.950 4.400 20 0 GIADRO COc1cc(-c2nnc(C[NH2+][C@@H]3CCC(C)(C)C[C@H]3C)o2)cc(OC)c1OC ZINC000120777193 823061949 /nfs/dbraw/zinc/06/19/49/823061949.db2.gz BFMNHRCDUOEIKB-UKRRQHHQSA-N 1 0 389.496 4.067 20 0 GIADRO COc1ccccc1CSc1ccccc1NC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000120778613 823062172 /nfs/dbraw/zinc/06/21/72/823062172.db2.gz GIDFVTINSLDHDD-KRWDZBQOSA-N 1 0 399.560 4.451 20 0 GIADRO Cc1ccc(NC(=O)N(C)Cc2cc3ccccc3o2)c(OCC[NH+](C)C)c1 ZINC000175883744 823063013 /nfs/dbraw/zinc/06/30/13/823063013.db2.gz UZDFBPIERFTRMJ-UHFFFAOYSA-N 1 0 381.476 4.346 20 0 GIADRO CC[C@H](CN(CC)C(=O)NC1CC[NH+](Cc2ccncc2)CC1)c1ccccc1 ZINC000187438915 823063985 /nfs/dbraw/zinc/06/39/85/823063985.db2.gz KKIBHMLLKPIJHK-OAQYLSRUSA-N 1 0 394.563 4.271 20 0 GIADRO C[C@@H](OC[C@@H](O)C[NH2+]Cc1nc(C(C)(C)C)cs1)c1ccc(Cl)cc1 ZINC000570625741 823064061 /nfs/dbraw/zinc/06/40/61/823064061.db2.gz IZEKITRIKMGXOG-CJNGLKHVSA-N 1 0 382.957 4.322 20 0 GIADRO C[C@H](OC[C@H](O)C[NH2+]Cc1nc(C(C)(C)C)cs1)c1ccc(Cl)cc1 ZINC000570625743 823064120 /nfs/dbraw/zinc/06/41/20/823064120.db2.gz IZEKITRIKMGXOG-XJKSGUPXSA-N 1 0 382.957 4.322 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000570629413 823064290 /nfs/dbraw/zinc/06/42/90/823064290.db2.gz DSGJVIZSIGTYFH-FOIQADDNSA-N 1 0 391.540 4.491 20 0 GIADRO COc1ccccc1[C@H](O)C[NH2+][C@@H](c1ccc(Br)s1)C1CC1 ZINC000190591368 823589050 /nfs/dbraw/zinc/58/90/50/823589050.db2.gz NKGNPTUDVMCWAQ-CXAGYDPISA-N 1 0 382.323 4.294 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000570629414 823064478 /nfs/dbraw/zinc/06/44/78/823064478.db2.gz DSGJVIZSIGTYFH-MGPUTAFESA-N 1 0 391.540 4.491 20 0 GIADRO CC(C)Oc1ccccc1C[NH+]1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000055904108 823064831 /nfs/dbraw/zinc/06/48/31/823064831.db2.gz ZIKYNDGOPCDBCU-UHFFFAOYSA-N 1 0 384.495 4.141 20 0 GIADRO CCS(=O)(=O)c1ccc(C[NH2+]Cc2cc(-c3ccccc3)ccc2OC)cc1 ZINC000570642245 823065705 /nfs/dbraw/zinc/06/57/05/823065705.db2.gz FWBQYDATWUMFSQ-UHFFFAOYSA-N 1 0 395.524 4.446 20 0 GIADRO [NH3+]CC12CCC(CC1)CN2C(=O)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000570641635 823065939 /nfs/dbraw/zinc/06/59/39/823065939.db2.gz VGPSQMNVAIDAOS-QOQLHOOGSA-N 1 0 381.545 4.076 20 0 GIADRO C[C@H](NC(=O)N1CC[C@H](C(F)(F)F)C[C@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000458634405 823067876 /nfs/dbraw/zinc/06/78/76/823067876.db2.gz QAXCERMOFLIBNT-UGUYLWEFSA-N 1 0 375.479 4.012 20 0 GIADRO CC(=O)Nc1ccc2c(C[N@@H+]3CCC[C@@H]3c3cccc(C)c3)cc(=O)oc2c1 ZINC000055910933 823066239 /nfs/dbraw/zinc/06/62/39/823066239.db2.gz NWOXQNFOLCEJHA-OAQYLSRUSA-N 1 0 376.456 4.397 20 0 GIADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)N[C@@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000187456705 823066951 /nfs/dbraw/zinc/06/69/51/823066951.db2.gz GPUGQEVPMBEFAK-LEWJYISDSA-N 1 0 395.547 4.297 20 0 GIADRO Cc1nc(CSc2ccc(C(=O)NC[C@H](C)[NH+]3CCCCC3)cc2)cs1 ZINC000055934673 823068357 /nfs/dbraw/zinc/06/83/57/823068357.db2.gz HRCJPJRHKBYFCB-HNNXBMFYSA-N 1 0 389.590 4.348 20 0 GIADRO C[C@@H](NC(=O)N1CC(c2ccc(Cl)cc2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000458641876 823068536 /nfs/dbraw/zinc/06/85/36/823068536.db2.gz WCLUSUFFOJALOZ-WBVHZDCISA-N 1 0 375.944 4.102 20 0 GIADRO CSc1ccc([C@@H](C)NC(=O)Nc2cc(C)nn2C2CC[NH+](C)CC2)cc1 ZINC000570661547 823068687 /nfs/dbraw/zinc/06/86/87/823068687.db2.gz CHEAGUYORTWOGL-OAHLLOKOSA-N 1 0 387.553 4.063 20 0 GIADRO C[C@H](Cc1cccc(F)c1)N(C)C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000458644503 823068809 /nfs/dbraw/zinc/06/88/09/823068809.db2.gz XVOULGFBFKWTNL-AOIWGVFYSA-N 1 0 375.532 4.051 20 0 GIADRO O=C(c1ccoc1)N1CCC([NH2+]CCc2nc(C3CCCCC3)cs2)CC1 ZINC000120810932 823068883 /nfs/dbraw/zinc/06/88/83/823068883.db2.gz SPSPUBWLQPBBLX-UHFFFAOYSA-N 1 0 387.549 4.221 20 0 GIADRO CC(C)(CNC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)C(F)(F)F ZINC000570663498 823068995 /nfs/dbraw/zinc/06/89/95/823068995.db2.gz BWPKFXPGYCYYKE-HNNXBMFYSA-N 1 0 391.865 4.365 20 0 GIADRO C[NH+](C)CCC1CCN(C(=O)NCC2(c3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000187470191 823069420 /nfs/dbraw/zinc/06/94/20/823069420.db2.gz QUGVIIJWMZOSCR-UHFFFAOYSA-N 1 0 397.485 4.110 20 0 GIADRO [NH3+][C@H](CCC(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccccc1 ZINC000570675194 823071031 /nfs/dbraw/zinc/07/10/31/823071031.db2.gz VOLSAGILYQZSEW-HXUWFJFHSA-N 1 0 389.503 4.090 20 0 GIADRO CC(C)(C)[C@@H](NC(=O)NC1CC[NH+](Cc2ccncc2)CC1)c1cccc(F)c1 ZINC000175913011 823071162 /nfs/dbraw/zinc/07/11/62/823071162.db2.gz QPUTYBIFPXLBJF-NRFANRHFSA-N 1 0 398.526 4.272 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)[C@@H](c3ccccc3)C3CC3)c(C)c2)CC1 ZINC000120826128 823072271 /nfs/dbraw/zinc/07/22/71/823072271.db2.gz ZUHCGSAUDXPSER-QHCPKHFHSA-N 1 0 377.532 4.269 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@@H](c2ccc(F)cc2F)C(C)C)ccc1S(C)(=O)=O ZINC000120826785 823072287 /nfs/dbraw/zinc/07/22/87/823072287.db2.gz SZVHQPOAIFPXEV-ZUOKHONESA-N 1 0 397.487 4.425 20 0 GIADRO C[C@@H](Cc1cccc(F)c1)N(C)C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000458681320 823073491 /nfs/dbraw/zinc/07/34/91/823073491.db2.gz NSRWQVLIPMWENV-CNNODRBYSA-N 1 0 397.538 4.309 20 0 GIADRO C[N@H+](CCc1ccncc1)Cc1cc(Br)cc(Br)c1 ZINC000570727882 823076994 /nfs/dbraw/zinc/07/69/94/823076994.db2.gz KCSJLFIIJZNPAN-UHFFFAOYSA-N 1 0 384.115 4.281 20 0 GIADRO Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000458708097 823077039 /nfs/dbraw/zinc/07/70/39/823077039.db2.gz PWWSFQRRMXHUOD-IEBWSBKVSA-N 1 0 383.458 4.116 20 0 GIADRO CCC1(CC)CCC(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)CC1 ZINC000458697229 823075489 /nfs/dbraw/zinc/07/54/89/823075489.db2.gz SGLFDIKRFLTULS-YOFSQIOKSA-N 1 0 379.589 4.019 20 0 GIADRO Cc1ccccc1CNC(=O)C[NH2+][C@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000570719989 823075559 /nfs/dbraw/zinc/07/55/59/823075559.db2.gz WQTDKWSOWZDNQP-GOSISDBHSA-N 1 0 375.472 4.149 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)NCCCCCCOc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000187510459 823077916 /nfs/dbraw/zinc/07/79/16/823077916.db2.gz LFRNEKBAALTCJV-HKUYNNGSSA-N 1 0 395.975 4.403 20 0 GIADRO COCc1c(C(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)sc2cccc(F)c21 ZINC000570733530 823077858 /nfs/dbraw/zinc/07/78/58/823077858.db2.gz PSUMDLDDAXREIV-AWEZNQCLSA-N 1 0 390.524 4.133 20 0 GIADRO Cc1ccc2c(C[NH+]3CCC(C(=O)c4ccc(F)cc4)CC3)ccc(O)c2n1 ZINC000570732483 823077948 /nfs/dbraw/zinc/07/79/48/823077948.db2.gz KRISQCGXGIICIO-UHFFFAOYSA-N 1 0 378.447 4.483 20 0 GIADRO Cc1coc(-c2ccc(C)c(NC(=O)NCC[N@@H+]3CCc4ccccc4C3)c2)n1 ZINC000120857532 823077996 /nfs/dbraw/zinc/07/79/96/823077996.db2.gz DYEVYDSQWHBDAU-UHFFFAOYSA-N 1 0 390.487 4.138 20 0 GIADRO C[C@@H]1CCCC[C@]1(C)NC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000458726881 823078850 /nfs/dbraw/zinc/07/88/50/823078850.db2.gz DBZDOXZAZYOTBY-VTCYXGNWSA-N 1 0 375.479 4.060 20 0 GIADRO C[C@@H](N[C@@H](C)c1noc(-c2ccccc2)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000570746058 823080403 /nfs/dbraw/zinc/08/04/03/823080403.db2.gz SJWSOXDHCPOSJC-LVCYWYKZSA-N 1 0 376.504 4.298 20 0 GIADRO Cc1cc(C(=O)N(CC[NH+](C)C)CC2CCCCC2)c(C)n1-c1nccs1 ZINC000570747441 823080463 /nfs/dbraw/zinc/08/04/63/823080463.db2.gz USYBACWVGCLQKJ-UHFFFAOYSA-N 1 0 388.581 4.135 20 0 GIADRO CSc1ccc([C@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccsc2)cc1 ZINC000458746321 823080762 /nfs/dbraw/zinc/08/07/62/823080762.db2.gz XQZMDKYWCIZWKD-HNNXBMFYSA-N 1 0 377.579 4.304 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)N(Cc2ccc(OC)cc2)[C@H](C)C2CC2)CC1 ZINC000175957008 823081935 /nfs/dbraw/zinc/08/19/35/823081935.db2.gz KNMKVSNTPFQJLT-GOSISDBHSA-N 1 0 387.568 4.127 20 0 GIADRO COc1ccc([C@@H](C)CC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000175952529 823080937 /nfs/dbraw/zinc/08/09/37/823080937.db2.gz PMWLSMZZVNCMJO-ROUUACIJSA-N 1 0 386.561 4.279 20 0 GIADRO Cc1noc2nc(C)cc(C(=O)Nc3ccc(CC[NH+]4CCCCC4)cc3)c12 ZINC000056042464 823081295 /nfs/dbraw/zinc/08/12/95/823081295.db2.gz HCWSBOLUWZUGAZ-UHFFFAOYSA-N 1 0 378.476 4.120 20 0 GIADRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cccc(OCc4ccccc4F)c3)[C@@H]2C1 ZINC000570756046 823081406 /nfs/dbraw/zinc/08/14/06/823081406.db2.gz PHGVIMFFKNNTPL-BPUDTRNYSA-N 1 0 396.506 4.141 20 0 GIADRO CC[C@H](C)[NH2+][C@H](CNC(=O)N1[C@H](C)[C@H](CC(F)(F)F)C[C@@H]1C)c1ccco1 ZINC000458767050 823082999 /nfs/dbraw/zinc/08/29/99/823082999.db2.gz LLYHAOSRAUNDCU-ARKGTOAJSA-N 1 0 389.462 4.470 20 0 GIADRO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cnnc(-c2ccccc2)c1 ZINC000570763834 823083147 /nfs/dbraw/zinc/08/31/47/823083147.db2.gz CPMCKISIXKPGBP-NOTZXAQLSA-N 1 0 398.510 4.069 20 0 GIADRO Clc1ccc([C@H]2CCC[C@H]([NH2+]Cc3cn(Cc4cccnc4)nn3)C2)cc1 ZINC000570770823 823084557 /nfs/dbraw/zinc/08/45/57/823084557.db2.gz ZMKZKCSBQIVKNH-ICSRJNTNSA-N 1 0 381.911 4.191 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(Br)c(C)cc2C)[C@H](C)C1 ZINC000187542374 823085607 /nfs/dbraw/zinc/08/56/07/823085607.db2.gz AMZQINWAWKXVLG-RHSMWYFYSA-N 1 0 382.346 4.260 20 0 GIADRO Cc1ccc(NC(=O)N(CC[NH+](C)C)Cc2cccs2)cc1OCC(F)F ZINC000175978139 823087095 /nfs/dbraw/zinc/08/70/95/823087095.db2.gz KFBJFJKJKDRXAH-UHFFFAOYSA-N 1 0 397.491 4.296 20 0 GIADRO CN(C(=O)NC(C1CCC1)C1CCC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458792143 823086054 /nfs/dbraw/zinc/08/60/54/823086054.db2.gz ZKVWOBZXPUHRSA-UHFFFAOYSA-N 1 0 375.479 4.013 20 0 GIADRO C[C@H](O)C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000570785429 823087094 /nfs/dbraw/zinc/08/70/94/823087094.db2.gz VHJQZJUGQPALBT-SIKLNZKXSA-N 1 0 396.531 4.220 20 0 GIADRO Cc1cc2c(cc1C)[C@@H]([NH2+]Cc1cnc(N3CCOCC3)c(F)c1)CCS2 ZINC000187552975 823087160 /nfs/dbraw/zinc/08/71/60/823087160.db2.gz OLNSYHSIBAYQEU-IBGZPJMESA-N 1 0 387.524 4.001 20 0 GIADRO Cc1n[nH]cc1C1CC[NH+](CCCC(=O)c2ccc(Br)cc2)CC1 ZINC000570789400 823087703 /nfs/dbraw/zinc/08/77/03/823087703.db2.gz YUWXETDSCGOGIA-UHFFFAOYSA-N 1 0 390.325 4.323 20 0 GIADRO CCC[C@@H](C[NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1)c1ccccc1 ZINC000187559218 823088327 /nfs/dbraw/zinc/08/83/27/823088327.db2.gz AZHBNFGOVUCRHZ-IBGZPJMESA-N 1 0 390.524 4.039 20 0 GIADRO Cc1ccoc1C[NH2+]C[C@@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000570794631 823088422 /nfs/dbraw/zinc/08/84/22/823088422.db2.gz BDJYPFLPOZBTQF-HXUWFJFHSA-N 1 0 387.426 4.123 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(Br)c(C)cc2C)C1 ZINC000187567851 823089951 /nfs/dbraw/zinc/08/99/51/823089951.db2.gz GOORDBZHPCOMLW-HNNXBMFYSA-N 1 0 382.346 4.262 20 0 GIADRO COc1ccc(C[N@H+](Cc2cnn(CC(F)(F)F)c2)[C@@H](C)C2CC2)c(OC)c1 ZINC000570810193 823090192 /nfs/dbraw/zinc/09/01/92/823090192.db2.gz CVSVBYMPCYCSGY-AWEZNQCLSA-N 1 0 397.441 4.263 20 0 GIADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCC[C@@H](c1ccccc1)C(F)(F)F ZINC000458820319 823091774 /nfs/dbraw/zinc/09/17/74/823091774.db2.gz QPIHJGRKWJTXTF-QAPCUYQASA-N 1 0 385.474 4.094 20 0 GIADRO CCCOc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(Cl)cn2)cc1OC ZINC000056161903 823093016 /nfs/dbraw/zinc/09/30/16/823093016.db2.gz QPUMICVGTWKPLC-KGLIPLIRSA-N 1 0 391.899 4.210 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)NCC[C@@H](c2ccccc2)C(F)(F)F)CC1 ZINC000458851069 823097708 /nfs/dbraw/zinc/09/77/08/823097708.db2.gz UTGWRMTZDLPPHW-SFHVURJKSA-N 1 0 385.474 4.238 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(OC(C)C)cc2)c1 ZINC000056163525 823093734 /nfs/dbraw/zinc/09/37/34/823093734.db2.gz MEKPPBFRHWJWGF-HOTGVXAUSA-N 1 0 383.492 4.110 20 0 GIADRO CCc1nnc(-c2ccc(NC(=O)NCCCC[N@@H+]3CCCC[C@H]3C)cc2)o1 ZINC000176006479 823093890 /nfs/dbraw/zinc/09/38/90/823093890.db2.gz ZAOASVOMLHVTDV-MRXNPFEDSA-N 1 0 385.512 4.075 20 0 GIADRO CN(C[C@@H]1CCCOC1)C(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000570839811 823093999 /nfs/dbraw/zinc/09/39/99/823093999.db2.gz OSIJSTNTDPCIHK-SFHVURJKSA-N 1 0 391.581 4.155 20 0 GIADRO Cc1ccc(-c2nc(NC(=O)[C@H]([NH2+]C3CCOCC3)C(C)C)sc2C)s1 ZINC000176006907 823094275 /nfs/dbraw/zinc/09/42/75/823094275.db2.gz ROBDHTVWPKVFHA-MRXNPFEDSA-N 1 0 393.578 4.220 20 0 GIADRO C[C@@H]1[C@H](NC(=O)N(CCC(F)(F)F)CC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000570841382 823094304 /nfs/dbraw/zinc/09/43/04/823094304.db2.gz AFIMTYSTGDPYKM-CRAIPNDOSA-N 1 0 383.458 4.023 20 0 GIADRO CCc1nc(C)c([C@H](C)N(C)C(=O)NC2CC[NH+](C3CCCC3)CC2)s1 ZINC000176020971 823097838 /nfs/dbraw/zinc/09/78/38/823097838.db2.gz NBEUKWHQCSSYCR-HNNXBMFYSA-N 1 0 378.586 4.123 20 0 GIADRO COc1ccc(F)cc1C[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000187596473 823094818 /nfs/dbraw/zinc/09/48/18/823094818.db2.gz ILJGQXIJPGLYEV-LBPRGKRZSA-N 1 0 384.373 4.360 20 0 GIADRO Cc1nc(COC(C)(C)C)oc1C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000570850377 823095425 /nfs/dbraw/zinc/09/54/25/823095425.db2.gz YCHSOQGQUUKHEL-KRWDZBQOSA-N 1 0 399.535 4.035 20 0 GIADRO COc1ccc2ccccc2c1C[NH2+][C@H](C)CC(=O)Nc1cccnc1Cl ZINC000120980398 823096700 /nfs/dbraw/zinc/09/67/00/823096700.db2.gz CNYNQDSPJZPTCC-CQSZACIVSA-N 1 0 383.879 4.404 20 0 GIADRO COCCOc1ccc([C@H](C)[NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)cc1OC ZINC000570863678 823098048 /nfs/dbraw/zinc/09/80/48/823098048.db2.gz YCFHERYRNWIPEG-WMQCIHAUSA-N 1 0 385.504 4.291 20 0 GIADRO COCCOc1ccc([C@@H](C)[NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)cc1OC ZINC000570863677 823098073 /nfs/dbraw/zinc/09/80/73/823098073.db2.gz YCFHERYRNWIPEG-UIFIKXQLSA-N 1 0 385.504 4.291 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[C@H](c2ccccc2)C(F)(F)F)C[C@@H]1C ZINC000458846760 823096930 /nfs/dbraw/zinc/09/69/30/823096930.db2.gz PTXVPTZOEXPVKJ-RYQLBKOJSA-N 1 0 385.474 4.237 20 0 GIADRO O=C(NCCCCC[NH+]1CCCC1)N1CC(c2cccc(C(F)(F)F)c2)C1 ZINC000458859784 823098689 /nfs/dbraw/zinc/09/86/89/823098689.db2.gz VOBGSPYMBPCTCK-UHFFFAOYSA-N 1 0 383.458 4.080 20 0 GIADRO Cc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000570867324 823099002 /nfs/dbraw/zinc/09/90/02/823099002.db2.gz KOOSJLIQIXVVSK-UHFFFAOYSA-N 1 0 378.451 4.168 20 0 GIADRO Cc1nc(CCCC(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)cs1 ZINC000176028296 823099666 /nfs/dbraw/zinc/09/96/66/823099666.db2.gz BLXZRVJWCOGEGP-UHFFFAOYSA-N 1 0 385.577 4.323 20 0 GIADRO CC[C@]1(CO)CCC[N@H+](Cc2cc(-c3c(OC)ccc4ccccc43)no2)C1 ZINC000187624780 823099981 /nfs/dbraw/zinc/09/99/81/823099981.db2.gz DZOXCILRHHPDNI-QHCPKHFHSA-N 1 0 380.488 4.488 20 0 GIADRO CCOC1CC2(C1)CCN(C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1)C2 ZINC000570876175 823100580 /nfs/dbraw/zinc/10/05/80/823100580.db2.gz QTUQSLWTCYHBDO-UHFFFAOYSA-N 1 0 399.579 4.019 20 0 GIADRO Cc1cc(C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)c(Br)s1 ZINC000570881422 823101226 /nfs/dbraw/zinc/10/12/26/823101226.db2.gz DXPJRLQCYCMZTB-GFCCVEGCSA-N 1 0 381.339 4.069 20 0 GIADRO CSc1ccc([C@@H](CNC(=O)N(C)Cc2cccc3[nH]ccc32)[NH+](C)C)cc1 ZINC000458882456 823101278 /nfs/dbraw/zinc/10/12/78/823101278.db2.gz FEWFJHCAOHELSS-OAQYLSRUSA-N 1 0 396.560 4.334 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C2(Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000187632015 823101653 /nfs/dbraw/zinc/10/16/53/823101653.db2.gz MELBBWWOKUWHHQ-QGZVFWFLSA-N 1 0 382.470 4.218 20 0 GIADRO CCCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000056207092 823103133 /nfs/dbraw/zinc/10/31/33/823103133.db2.gz HSMLSCFBEQDXNM-HZPDHXFCSA-N 1 0 385.483 4.033 20 0 GIADRO CCOc1c(Br)cc(C[N@H+]2CCC3(CC(OCC)C3)C2)cc1OC ZINC000570886367 823102181 /nfs/dbraw/zinc/10/21/81/823102181.db2.gz UXQUHAOJXKAVBR-UHFFFAOYSA-N 1 0 398.341 4.247 20 0 GIADRO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000187664535 823108808 /nfs/dbraw/zinc/10/88/08/823108808.db2.gz CPVXXZWYRGABNM-QGZVFWFLSA-N 1 0 398.528 4.371 20 0 GIADRO CN(C(=O)NC[C@@H]1CSc2ccccc21)C1CC[NH+](Cc2ccccc2)CC1 ZINC000458901647 823103928 /nfs/dbraw/zinc/10/39/28/823103928.db2.gz BANAGMJKUHDWJF-LJQANCHMSA-N 1 0 395.572 4.182 20 0 GIADRO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+]C[C@H](c1ccco1)N(C)C ZINC000121022269 823104388 /nfs/dbraw/zinc/10/43/88/823104388.db2.gz IFEPCZYLTBTYGD-GOSISDBHSA-N 1 0 390.890 4.018 20 0 GIADRO CCOc1c(Cl)cc(C[NH2+]Cc2c[nH]nc2-c2ccc(C)o2)cc1OC ZINC000121025911 823105023 /nfs/dbraw/zinc/10/50/23/823105023.db2.gz FHCYXIXZYXSUAZ-UHFFFAOYSA-N 1 0 375.856 4.329 20 0 GIADRO C[NH+]1CCC(NC(=O)N[C@@H](Cc2ccccc2C(F)(F)F)C(C)(C)C)CC1 ZINC000570900092 823105030 /nfs/dbraw/zinc/10/50/30/823105030.db2.gz UCJRTFPIMAGHFS-KRWDZBQOSA-N 1 0 385.474 4.056 20 0 GIADRO Cc1ccc(-c2nnc([C@H](C)Nc3ccc(CC[NH+]4CCOCC4)cc3)o2)cc1 ZINC000056215993 823105235 /nfs/dbraw/zinc/10/52/35/823105235.db2.gz NBDFNLAHNOQPTD-SFHVURJKSA-N 1 0 392.503 4.093 20 0 GIADRO CC[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(Cl)s1 ZINC000177897228 823543344 /nfs/dbraw/zinc/54/33/44/823543344.db2.gz QJWNKRNQSZXMEX-INIZCTEOSA-N 1 0 398.981 4.427 20 0 GIADRO CC[N@H+](CCC1CCN(C(=O)NCC(C)(C)c2ccccn2)CC1)CC(C)C ZINC000458914542 823105724 /nfs/dbraw/zinc/10/57/24/823105724.db2.gz BFLUBPPTMWGSBE-UHFFFAOYSA-N 1 0 388.600 4.149 20 0 GIADRO COc1ccc2c(c1)CN(C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1)[C@H](c1ccccc1)C2 ZINC000570912382 823106529 /nfs/dbraw/zinc/10/65/29/823106529.db2.gz MBIMZSZXKPBVAY-OAOOKAIFSA-N 1 0 393.531 4.022 20 0 GIADRO COc1ccc(COC[C@@H](O)C[N@H+](C)[C@H](C)c2sc(C(C)C)nc2C)cc1 ZINC000121038958 823107114 /nfs/dbraw/zinc/10/71/14/823107114.db2.gz XHJWMUPIFVYHSS-AEFFLSMTSA-N 1 0 392.565 4.154 20 0 GIADRO Cc1sc(NC(=O)[C@H]2CCCCCC[C@H]2[NH3+])nc1-c1c[nH]c2ncccc12 ZINC000570919807 823107804 /nfs/dbraw/zinc/10/78/04/823107804.db2.gz JLPZGYUXVHQJFX-GOEBONIOSA-N 1 0 383.521 4.231 20 0 GIADRO C[C@H](C(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1cc2ccccc2o1 ZINC000176059582 823109443 /nfs/dbraw/zinc/10/94/43/823109443.db2.gz RIUHXNSQGKJEQQ-SFHVURJKSA-N 1 0 376.500 4.360 20 0 GIADRO CCCCC[C@H](NC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C)c1ccccc1 ZINC000176060222 823109463 /nfs/dbraw/zinc/10/94/63/823109463.db2.gz PSPZKJMALGSHAP-FQEVSTJZSA-N 1 0 396.535 4.290 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)c2ccccc2O1 ZINC000458948144 823109913 /nfs/dbraw/zinc/10/99/13/823109913.db2.gz PCKMINJDMOIIDR-XMSQKQJNSA-N 1 0 393.531 4.205 20 0 GIADRO Cn1cc(CCC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)c2ccccc21 ZINC000176062156 823109998 /nfs/dbraw/zinc/10/99/98/823109998.db2.gz QMMIVCVLRNCPOX-UHFFFAOYSA-N 1 0 389.543 4.139 20 0 GIADRO O=C(N[C@H]1CCCC[C@H]1CC(F)(F)F)N1CCC(C[NH+]2CCCC2)CC1 ZINC000458951537 823110266 /nfs/dbraw/zinc/11/02/66/823110266.db2.gz TWLSOMCRYJRZLV-IRXDYDNUSA-N 1 0 375.479 4.015 20 0 GIADRO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)CCc1ccc(Br)cc1 ZINC000187673605 823110728 /nfs/dbraw/zinc/11/07/28/823110728.db2.gz KXQLIQAGOZTYIF-CQSZACIVSA-N 1 0 396.350 4.088 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)CCc1ccc(Br)cc1 ZINC000176077958 823113974 /nfs/dbraw/zinc/11/39/74/823113974.db2.gz KVSFEAPSSQWXFT-INIZCTEOSA-N 1 0 381.358 4.153 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@H](C)C[C@@H](O)c2ccc(F)cc2)cc(OC)c1OC ZINC000121061843 823111357 /nfs/dbraw/zinc/11/13/57/823111357.db2.gz FUSYBJZJDFPMLE-QWQRMKEZSA-N 1 0 377.456 4.014 20 0 GIADRO Cc1cc(CCC(=O)N2CCC(C[NH+]3CCCC3)CC2)ccc1Br ZINC000176069902 823112338 /nfs/dbraw/zinc/11/23/38/823112338.db2.gz VEXYBVAJZMLYQG-UHFFFAOYSA-N 1 0 393.369 4.025 20 0 GIADRO CCOC(=O)N1CCC([C@@H](C)[NH2+][C@H](C)c2nc3ccc(Cl)cc3n2C)CC1 ZINC000187689493 823113483 /nfs/dbraw/zinc/11/34/83/823113483.db2.gz PNMGVCZBWLISLK-ZIAGYGMSSA-N 1 0 392.931 4.134 20 0 GIADRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1OC(F)F)c1ccc(OC)cc1 ZINC000121084833 823115516 /nfs/dbraw/zinc/11/55/16/823115516.db2.gz RMBKBNUOPABPSZ-XJKSGUPXSA-N 1 0 378.419 4.365 20 0 GIADRO O=C1CCCN1CCC[NH2+][C@H](c1ccc(Br)cc1Cl)C1CC1 ZINC000187703161 823116327 /nfs/dbraw/zinc/11/63/27/823116327.db2.gz QORPFFCTVGXATM-KRWDZBQOSA-N 1 0 385.733 4.156 20 0 GIADRO CCS(=O)(=O)c1ccc2oc(CN3C[C@@H](c4ccc(C)cc4)C[C@@H]3C)nc2c1 ZINC000570997089 823117595 /nfs/dbraw/zinc/11/75/95/823117595.db2.gz NTXRRQQRGXZSDS-WMZOPIPTSA-N 1 0 398.528 4.308 20 0 GIADRO CCN(C(=O)NC[C@@H]1CCCC1(F)F)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000459019574 823117705 /nfs/dbraw/zinc/11/77/05/823117705.db2.gz IMDAARAPGFPFJD-YTQUADARSA-N 1 0 379.495 4.289 20 0 GIADRO O=C(NC[C@@H]1CCCC1(F)F)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000459022137 823118019 /nfs/dbraw/zinc/11/80/19/823118019.db2.gz JTBCOLMTLVYODM-IBGZPJMESA-N 1 0 391.506 4.120 20 0 GIADRO CCOCCOc1ccc(Cl)cc1NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000176093845 823118388 /nfs/dbraw/zinc/11/83/88/823118388.db2.gz DYAUPYARAVWRHI-KRWDZBQOSA-N 1 0 397.947 4.093 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2CCCC2(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000459023925 823118403 /nfs/dbraw/zinc/11/84/03/823118403.db2.gz KPENMRGEBGQNLV-NZSAHSFTSA-N 1 0 379.495 4.116 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)C[N@@H+](CC2CCC2)[C@@H](C)c2ccccc2)cc1 ZINC000121100274 823118583 /nfs/dbraw/zinc/11/85/83/823118583.db2.gz GSOXZPLCSVQZAF-KRWDZBQOSA-N 1 0 379.504 4.447 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1ccc(N2CCOC2=O)cc1 ZINC000187722636 823120116 /nfs/dbraw/zinc/12/01/16/823120116.db2.gz IPQNHNVZZYJMMA-GFCCVEGCSA-N 1 0 375.812 4.056 20 0 GIADRO C[C@H]1C[C@@H](NC(=O)c2sccc2OC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000176100759 823120559 /nfs/dbraw/zinc/12/05/59/823120559.db2.gz YXAXXKRJWVBNAP-ZFWWWQNUSA-N 1 0 380.460 4.132 20 0 GIADRO CCCc1ncc(CNC(=O)N(CCC)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)o1 ZINC000459053331 823120989 /nfs/dbraw/zinc/12/09/89/823120989.db2.gz QZXPQJRCQWHHBA-HXUWFJFHSA-N 1 0 398.551 4.213 20 0 GIADRO O=C(Nc1ccccc1-c1cc(F)c(F)c(F)c1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000176102360 823121053 /nfs/dbraw/zinc/12/10/53/823121053.db2.gz XCAYPTAUWLITKI-OAHLLOKOSA-N 1 0 387.405 4.249 20 0 GIADRO CC[C@@H]1CCCCN1C(=O)C[NH2+]C1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000571030413 823122619 /nfs/dbraw/zinc/12/26/19/823122619.db2.gz GBPGVPUTNGLLRA-GOSISDBHSA-N 1 0 398.469 4.092 20 0 GIADRO C[C@]1(c2ccccc2)CC[C@H]([NH2+]C2CCN(CC(=O)Nc3ccccc3)CC2)C1 ZINC000187741119 823122966 /nfs/dbraw/zinc/12/29/66/823122966.db2.gz YWZXJOBKWKZPCK-ZCYQVOJMSA-N 1 0 391.559 4.190 20 0 GIADRO C[C@H]([NH2+]CC1=CCN(C(=O)OC(C)(C)C)CC1)c1cnn(Cc2ccccc2)c1 ZINC000187744859 823123894 /nfs/dbraw/zinc/12/38/94/823123894.db2.gz VFDIVDGNEXJPNF-SFHVURJKSA-N 1 0 396.535 4.149 20 0 GIADRO Brc1cccc(-c2cnc(CN3CCCC[C@H]3[C@H]3CC[NH2+]C3)o2)c1 ZINC000571051332 823125311 /nfs/dbraw/zinc/12/53/11/823125311.db2.gz ZOBGPJMGHLPHRX-RDJZCZTQSA-N 1 0 390.325 4.068 20 0 GIADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc(-c3ccccc3)c(C)c2)cc1 ZINC000187751391 823125511 /nfs/dbraw/zinc/12/55/11/823125511.db2.gz DARSTCWQVCLQPX-SFHVURJKSA-N 1 0 394.540 4.421 20 0 GIADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2ccc(-c3ccccc3)c(C)c2)c1 ZINC000187751345 823125518 /nfs/dbraw/zinc/12/55/18/823125518.db2.gz YAGUUEOSCNTKDR-SFHVURJKSA-N 1 0 394.540 4.421 20 0 GIADRO CSc1cc(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)ccc1NC(C)=O ZINC000056333032 823129914 /nfs/dbraw/zinc/12/99/14/823129914.db2.gz BIKADEKVZASEKJ-UHFFFAOYSA-N 1 0 397.544 4.258 20 0 GIADRO CCOc1ccccc1Oc1ccccc1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000176118858 823126585 /nfs/dbraw/zinc/12/65/85/823126585.db2.gz OZRIRLCDEZVEGQ-UHFFFAOYSA-N 1 0 394.515 4.482 20 0 GIADRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)Nc2cccc(OCc3cccc(C)c3)c2)C1(C)C ZINC000187760912 823127516 /nfs/dbraw/zinc/12/75/16/823127516.db2.gz CXADXNSJRBRPTL-NFBKMPQASA-N 1 0 382.504 4.045 20 0 GIADRO C[C@H]1C[C@@H](NC(=O)c2cccnc2SC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000176122307 823127674 /nfs/dbraw/zinc/12/76/74/823127674.db2.gz XVCIQBNQNUEJHI-HOCLYGCPSA-N 1 0 391.487 4.179 20 0 GIADRO CCCN(C(=O)N[C@@H](C)c1cnn(CC)c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000459099941 823128020 /nfs/dbraw/zinc/12/80/20/823128020.db2.gz KZUZJZKXZVAEBU-SIKLNZKXSA-N 1 0 397.567 4.050 20 0 GIADRO COc1ccc(C(=O)CCCC(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)cc1 ZINC000056326154 823128241 /nfs/dbraw/zinc/12/82/41/823128241.db2.gz JEXWTIURZNJBKU-UHFFFAOYSA-N 1 0 394.515 4.325 20 0 GIADRO COc1ccc(-c2n[nH]cc2C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)cc1 ZINC000571091011 823130881 /nfs/dbraw/zinc/13/08/81/823130881.db2.gz MMSWFGBLGHMNJY-ZLNRFVROSA-N 1 0 389.499 4.090 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(N3CCO[C@@H](C)C3)nc1)CCCS2 ZINC000187777443 823131011 /nfs/dbraw/zinc/13/10/11/823131011.db2.gz YVRQFIDXBXIRER-OXJNMPFZSA-N 1 0 399.560 4.032 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)Cc2c[nH]c3ccc(F)cc23)CC[N@@H+]1Cc1ccccc1 ZINC000176134481 823132293 /nfs/dbraw/zinc/13/22/93/823132293.db2.gz LXFWKBGTNBGKFK-OXQOHEQNSA-N 1 0 379.479 4.019 20 0 GIADRO CCN(C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)[C@@H](C)Cc1ccsc1 ZINC000187790152 823133884 /nfs/dbraw/zinc/13/38/84/823133884.db2.gz OMJPMQRUURXGIU-YQVWRLOYSA-N 1 0 377.598 4.364 20 0 GIADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000459140361 823134017 /nfs/dbraw/zinc/13/40/17/823134017.db2.gz NIHVQZFVOLAANE-ZTNFWEORSA-N 1 0 377.960 4.348 20 0 GIADRO COc1ccc([C@@H](C[NH2+]C[C@@](C)(O)C(F)(F)F)c2c[nH]c3ccccc32)cc1 ZINC000571116290 823134486 /nfs/dbraw/zinc/13/44/86/823134486.db2.gz MMBMMMWDEVPHER-YLJYHZDGSA-N 1 0 392.421 4.211 20 0 GIADRO C[N@H+](CCCCNC(=O)N(Cc1ccccc1)Cc1ccc(F)cc1)C1CC1 ZINC000459157091 823136332 /nfs/dbraw/zinc/13/63/32/823136332.db2.gz LZXDGAMADRFNCB-UHFFFAOYSA-N 1 0 383.511 4.412 20 0 GIADRO C[C@@H](C[C@@H](O)c1cccs1)[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000121198561 823136919 /nfs/dbraw/zinc/13/69/19/823136919.db2.gz AMMJGDUAHPSMNR-HNAYVOBHSA-N 1 0 378.969 4.468 20 0 GIADRO C[C@@H](C[C@H](O)c1cccs1)[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000121198221 823136927 /nfs/dbraw/zinc/13/69/27/823136927.db2.gz AMMJGDUAHPSMNR-KXBFYZLASA-N 1 0 378.969 4.468 20 0 GIADRO CCOc1ccccc1CN(C)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000056367551 823138267 /nfs/dbraw/zinc/13/82/67/823138267.db2.gz HPZNKAROIXJJHB-UHFFFAOYSA-N 1 0 381.520 4.023 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1c(F)cccc1Br ZINC000176158662 823139254 /nfs/dbraw/zinc/13/92/54/823139254.db2.gz ZBTPNFUTSWAYCA-UHFFFAOYSA-N 1 0 391.284 4.479 20 0 GIADRO Cc1cc(C[NH2+]C[C@H](O)c2ccccc2F)cc(C)c1OCc1ccccn1 ZINC000121218866 823140925 /nfs/dbraw/zinc/14/09/25/823140925.db2.gz MEYKLQXCSPNICU-QFIPXVFZSA-N 1 0 380.463 4.240 20 0 GIADRO O=C(NCc1ccc2c[nH+]cn2c1)N1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000459199796 823142847 /nfs/dbraw/zinc/14/28/47/823142847.db2.gz LPCBSKMICJHURE-GOSISDBHSA-N 1 0 386.908 4.064 20 0 GIADRO CC(C)(C)OC(=O)N1CCc2cccc(C[N@@H+]3CCC[C@H](c4cc[nH]n4)C3)c21 ZINC000121229758 823143196 /nfs/dbraw/zinc/14/31/96/823143196.db2.gz JBGCPQAXPYVKPH-KRWDZBQOSA-N 1 0 382.508 4.087 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@@H](C)C[C@H](O)c2cccs2)cc1Cn1cccn1 ZINC000121231557 823143496 /nfs/dbraw/zinc/14/34/96/823143496.db2.gz ZYFQWWAYDNVKSM-BXWFABGCSA-N 1 0 385.533 4.164 20 0 GIADRO CC(=O)c1cccc(NC(=O)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)c1 ZINC000121235892 823144250 /nfs/dbraw/zinc/14/42/50/823144250.db2.gz ZKEDWRQILFLMBY-UHFFFAOYSA-N 1 0 394.519 4.311 20 0 GIADRO Cc1cscc1C(=O)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000176173994 823144916 /nfs/dbraw/zinc/14/49/16/823144916.db2.gz VJHUCQDBCUKGPX-UHFFFAOYSA-N 1 0 392.528 4.026 20 0 GIADRO C[C@H](c1cccc(Cl)c1)N(C)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000056406673 823144833 /nfs/dbraw/zinc/14/48/33/823144833.db2.gz MHGCRRNIWYYJGG-MRXNPFEDSA-N 1 0 386.927 4.102 20 0 GIADRO O=C(C[NH+]1CCCCCC1)Nc1cccc(NC(=O)c2cccc3[nH]ccc32)c1 ZINC000176175134 823145121 /nfs/dbraw/zinc/14/51/21/823145121.db2.gz KKNBXFTYTHDYQI-UHFFFAOYSA-N 1 0 390.487 4.235 20 0 GIADRO O=C(C[N@@H+]1CCCCC[C@H]1c1ccco1)N1CCc2[nH]c3ccccc3c2C1 ZINC000121241876 823146026 /nfs/dbraw/zinc/14/60/26/823146026.db2.gz HIQFHPAZCXRIJS-NRFANRHFSA-N 1 0 377.488 4.263 20 0 GIADRO CCc1cnc(CN(C)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)s1 ZINC000176176471 823145485 /nfs/dbraw/zinc/14/54/85/823145485.db2.gz VORKXLFQGCUSDN-UHFFFAOYSA-N 1 0 386.565 4.033 20 0 GIADRO CC[NH2+]Cc1cccc(NC(=O)N2CCC(c3noc4cc(F)ccc43)CC2)c1 ZINC000571147462 823140679 /nfs/dbraw/zinc/14/06/79/823140679.db2.gz FPIYYHWEKJMHPM-UHFFFAOYSA-N 1 0 396.466 4.488 20 0 GIADRO CN(C)c1noc([C@H]2CCC[N@H+](Cc3cnc(C4CCCCC4)s3)C2)n1 ZINC000571193104 823146892 /nfs/dbraw/zinc/14/68/92/823146892.db2.gz UTKYHDHKAHFTSN-HNNXBMFYSA-N 1 0 375.542 4.019 20 0 GIADRO Cc1cc(CCC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)ccc1Br ZINC000176183936 823147368 /nfs/dbraw/zinc/14/73/68/823147368.db2.gz PSQLCFRUDWZSME-GOSISDBHSA-N 1 0 393.369 4.025 20 0 GIADRO C[C@H]([NH2+]C1CCN(Cc2ccsc2)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000121249519 823147507 /nfs/dbraw/zinc/14/75/07/823147507.db2.gz SJOUDHYZOBPTHX-INIZCTEOSA-N 1 0 385.533 4.020 20 0 GIADRO COc1cc(CNc2ccc3c(c2)C[N@@H+](C)C3)ccc1OCc1ccncc1 ZINC000121249182 823147522 /nfs/dbraw/zinc/14/75/22/823147522.db2.gz KKKGZEFBACPUEO-UHFFFAOYSA-N 1 0 375.472 4.227 20 0 GIADRO CCc1ccc(CNC(=O)C[NH2+][C@@H](C)c2ccc(Oc3cccnc3)cc2)s1 ZINC000571201131 823147676 /nfs/dbraw/zinc/14/76/76/823147676.db2.gz IOKDPSLWOCXMKL-INIZCTEOSA-N 1 0 395.528 4.465 20 0 GIADRO C[NH+](C)CCc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc1 ZINC000571222396 823151325 /nfs/dbraw/zinc/15/13/25/823151325.db2.gz CTRWVMFANHYJTD-LJQANCHMSA-N 1 0 393.556 4.420 20 0 GIADRO CN1CC[C@H]([NH2+]Cc2nc3cc(Cl)ccc3n2C)[C@@H]1c1ccc(Cl)cc1 ZINC000571211092 823149347 /nfs/dbraw/zinc/14/93/47/823149347.db2.gz ACEPBPLBZUDMBF-JXFKEZNVSA-N 1 0 389.330 4.415 20 0 GIADRO COc1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@@H]2CCc4nc[nH]c4C2)CCC3)cc1 ZINC000571211739 823149421 /nfs/dbraw/zinc/14/94/21/823149421.db2.gz CYPVHGLSGSPISJ-PBHICJAKSA-N 1 0 380.517 4.066 20 0 GIADRO CN(C)c1cc(Cl)cc(Cl)c1C[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000571216660 823149971 /nfs/dbraw/zinc/14/99/71/823149971.db2.gz MGMWDBJCGMTDQT-GFCCVEGCSA-N 1 0 381.307 4.309 20 0 GIADRO C[C@@H](CCCc1cccnc1)NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000459242312 823150339 /nfs/dbraw/zinc/15/03/39/823150339.db2.gz LAVVFXMSDDPZLG-UNMCSNQZSA-N 1 0 386.584 4.090 20 0 GIADRO CCN(C(=O)NCc1ccc(C)c(C)n1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000459244540 823150823 /nfs/dbraw/zinc/15/08/23/823150823.db2.gz UCLQWNGJLNVFIS-KNQAVFIVSA-N 1 0 380.536 4.065 20 0 GIADRO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000121265161 823150891 /nfs/dbraw/zinc/15/08/91/823150891.db2.gz QNQWXFVWEUXNHZ-INIZCTEOSA-N 1 0 387.890 4.135 20 0 GIADRO CCO[C@H]1C[C@@]([NH3+])(C(=O)Nc2cccc(CSC3CCCC3)c2)C1(C)C ZINC000187874847 823150923 /nfs/dbraw/zinc/15/09/23/823150923.db2.gz DBZFQJOSMVFJOT-GHTZIAJQSA-N 1 0 376.566 4.333 20 0 GIADRO Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000176204193 823151972 /nfs/dbraw/zinc/15/19/72/823151972.db2.gz OBLYOODTASUHBL-IBGZPJMESA-N 1 0 397.563 4.261 20 0 GIADRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3csc(-c4ccc(Cl)cc4)n3)[C@@H]2C1 ZINC000571240113 823153875 /nfs/dbraw/zinc/15/38/75/823153875.db2.gz LHQCXLHJOLUXKZ-KFKAGJAMSA-N 1 0 389.952 4.200 20 0 GIADRO Cc1ccc([C@H](CN[C@H](c2ncc[nH]2)c2ccc(F)cc2)[NH+]2CCCC2)cc1 ZINC000187900080 823154812 /nfs/dbraw/zinc/15/48/12/823154812.db2.gz ZHGYYHDUMKJTJD-VXKWHMMOSA-N 1 0 378.495 4.373 20 0 GIADRO CCOc1cccc2[nH]cc(CC(=O)NC[C@H](c3ccco3)[NH+]3CCCCC3)c21 ZINC000187903653 823155730 /nfs/dbraw/zinc/15/57/30/823155730.db2.gz JQXPTFSRPXWHDM-LJQANCHMSA-N 1 0 395.503 4.046 20 0 GIADRO COc1cccc(Oc2ccc(C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCCC4)cn2)c1 ZINC000121293907 823156896 /nfs/dbraw/zinc/15/68/96/823156896.db2.gz CHCMONWGECMZCJ-NNWRFLSQSA-N 1 0 380.488 4.320 20 0 GIADRO COc1cccc(C[C@H]2CCCN2C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)c1 ZINC000571259215 823157352 /nfs/dbraw/zinc/15/73/52/823157352.db2.gz LDHLZPVOUKVYOW-OFNKIYASSA-N 1 0 393.531 4.483 20 0 GIADRO COc1cc(NC(=O)C[NH2+][C@H](C)c2cccc(Cl)c2)c(OC)cc1Cl ZINC000121296763 823157504 /nfs/dbraw/zinc/15/75/04/823157504.db2.gz ATMXZNISYDIOFM-LLVKDONJSA-N 1 0 383.275 4.300 20 0 GIADRO C[C@@H]1CN(c2ccccc2C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)CCO1 ZINC000459307524 823159372 /nfs/dbraw/zinc/15/93/72/823159372.db2.gz OEZZDXHVMDOVEL-QUCCMNQESA-N 1 0 386.561 4.154 20 0 GIADRO O[C@H](C[NH2+][C@@H](c1ccccc1)c1cccc2ccccc21)COC1CCOCC1 ZINC000571277720 823159542 /nfs/dbraw/zinc/15/95/42/823159542.db2.gz RVPFIPKZQHKMEU-BWKNWUBXSA-N 1 0 391.511 4.075 20 0 GIADRO CC[C@@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)c1ccc(Br)cc1Cl ZINC000187934070 823160272 /nfs/dbraw/zinc/16/02/72/823160272.db2.gz ILXLQNXPHLUFNA-IUODEOHRSA-N 1 0 383.721 4.058 20 0 GIADRO COc1cc(C[N@H+](C)Cc2ccccc2N2CCO[C@@H](C)C2)ccc1SC ZINC000459319474 823160657 /nfs/dbraw/zinc/16/06/57/823160657.db2.gz DQCMDVLDRVGPQX-KRWDZBQOSA-N 1 0 386.561 4.274 20 0 GIADRO CC(C)OCC[NH+]1CCC(NC(=O)N[C@H](c2ccc(F)cc2)C(C)(C)C)CC1 ZINC000176240213 823160779 /nfs/dbraw/zinc/16/07/79/823160779.db2.gz ZPGDPGFAXOSPLS-HXUWFJFHSA-N 1 0 393.547 4.102 20 0 GIADRO CCOc1ccccc1Oc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cn1 ZINC000121310594 823160811 /nfs/dbraw/zinc/16/08/11/823160811.db2.gz NKAWUQLUTQZWLD-WTOYTKOKSA-N 1 0 380.488 4.320 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1cc(Cl)nc(Cl)c1 ZINC000121315740 823161910 /nfs/dbraw/zinc/16/19/10/823161910.db2.gz WRGOIHBPOWNLDF-UHFFFAOYSA-N 1 0 382.291 4.361 20 0 GIADRO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](C[C@H]3CCC4(CCCC4)O3)C2)cc1 ZINC000571301194 823162002 /nfs/dbraw/zinc/16/20/02/823162002.db2.gz ATSQUULUBLPYHK-PZJWPPBQSA-N 1 0 385.552 4.320 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1cc(-c2csc(C)n2)c[nH]1 ZINC000121321147 823163100 /nfs/dbraw/zinc/16/31/00/823163100.db2.gz MYPAZVONWRCQSZ-UHFFFAOYSA-N 1 0 398.532 4.420 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)Nc1cccc(OC(F)(F)F)c1 ZINC000459333979 823163253 /nfs/dbraw/zinc/16/32/53/823163253.db2.gz KHFYBKQALRYGBR-UHFFFAOYSA-N 1 0 387.427 4.242 20 0 GIADRO CCC(CC)n1nc(C)cc1C(=O)N1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000571313667 823163913 /nfs/dbraw/zinc/16/39/13/823163913.db2.gz NPBSOLUFXCTYMF-RBBKRZOGSA-N 1 0 396.579 4.365 20 0 GIADRO C[C@@H](CC(=O)N(C)C)[NH2+][C@@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC000121327136 823164094 /nfs/dbraw/zinc/16/40/94/823164094.db2.gz LYGBDYDLRFFCDQ-ORAYPTAESA-N 1 0 393.300 4.134 20 0 GIADRO COc1cc(C)c(C[NH2+]C[C@H](c2ccc(OC(C)C)cc2)N(C)C)cc1OC ZINC000571317902 823164430 /nfs/dbraw/zinc/16/44/30/823164430.db2.gz AHLGSGUDIXLPTM-OAQYLSRUSA-N 1 0 386.536 4.192 20 0 GIADRO C[C@H](O)C[N@H+](C)C1CCN(C/C=C/c2ccc(OCc3ccccc3)cc2)CC1 ZINC000459341415 823165073 /nfs/dbraw/zinc/16/50/73/823165073.db2.gz WFDAXRYMRIACQZ-JLXBBBJOSA-N 1 0 394.559 4.056 20 0 GIADRO Cc1cc(F)c(CNc2ccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)cc2)c(Cl)c1 ZINC000459347685 823167472 /nfs/dbraw/zinc/16/74/72/823167472.db2.gz GPJXRYABFPYNCJ-INIZCTEOSA-N 1 0 389.902 4.097 20 0 GIADRO C/C(=C\c1ccccc1OC(F)F)C[N@H+]1CCC[C@@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000571339295 823167718 /nfs/dbraw/zinc/16/77/18/823167718.db2.gz NHCAFJTXNWRUKA-ZYYKLRDGSA-N 1 0 394.506 4.265 20 0 GIADRO CC1CC[NH+]([C@H](CNC(=O)N2CCC[C@@H]2c2ccccn2)c2cccs2)CC1 ZINC000056553316 823167814 /nfs/dbraw/zinc/16/78/14/823167814.db2.gz GPOBKPKLTDRPQO-WOJBJXKFSA-N 1 0 398.576 4.463 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)Nc1ccc(OC(F)F)c(F)c1 ZINC000459349873 823167906 /nfs/dbraw/zinc/16/79/06/823167906.db2.gz VDQWLNWSJWROFF-UHFFFAOYSA-N 1 0 387.427 4.084 20 0 GIADRO FC(F)(F)c1ccc2nnc([C@@H]3CCC[N@H+](CCOCC4CCCC4)C3)n2c1 ZINC000459350496 823168226 /nfs/dbraw/zinc/16/82/26/823168226.db2.gz PIZYZRLGYDDEBD-MRXNPFEDSA-N 1 0 396.457 4.134 20 0 GIADRO Cn1cncc1CCNC(=O)[C@H](Sc1ccccc1Cl)c1ccccc1 ZINC000121351069 823168427 /nfs/dbraw/zinc/16/84/27/823168427.db2.gz XCIJEGVPQVMDID-LJQANCHMSA-N 1 0 385.920 4.266 20 0 GIADRO CC[NH+]1CCC(NC(=O)Nc2ccc(Oc3ccccc3OC)c(F)c2)CC1 ZINC000056555118 823168434 /nfs/dbraw/zinc/16/84/34/823168434.db2.gz UJZYQFFMUQOMFZ-UHFFFAOYSA-N 1 0 387.455 4.232 20 0 GIADRO Cc1cc(F)c(CNc2ccccc2C[N@@H+]2CCC[C@@H](C(N)=O)C2)c(Cl)c1 ZINC000459351277 823168679 /nfs/dbraw/zinc/16/86/79/823168679.db2.gz KXVXMHYGCROYEK-MRXNPFEDSA-N 1 0 389.902 4.097 20 0 GIADRO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)N1CCC[C@@H]1c1ccccn1 ZINC000056555511 823168900 /nfs/dbraw/zinc/16/89/00/823168900.db2.gz REIJNZVWLQMBPU-RTWAWAEBSA-N 1 0 398.938 4.419 20 0 GIADRO Clc1ccc(OC[C@H]2CCCO2)c(NC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000459352890 823168896 /nfs/dbraw/zinc/16/88/96/823168896.db2.gz SKLUIWKDDVRIFC-LJQANCHMSA-N 1 0 387.911 4.374 20 0 GIADRO O=C(Nc1cccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1)c1ccc(F)cc1 ZINC000121354497 823169093 /nfs/dbraw/zinc/16/90/93/823169093.db2.gz WISVRJWETWBQMA-HBMCJLEFSA-N 1 0 380.463 4.125 20 0 GIADRO CO[C@H](C)C(=O)Nc1cccc(N[C@@H]2CCC[N@H+](Cc3ccccc3)[C@H]2C)c1 ZINC000571349592 823169138 /nfs/dbraw/zinc/16/91/38/823169138.db2.gz TZTBIJPQSUDJME-NJNPRVFISA-N 1 0 381.520 4.125 20 0 GIADRO C[C@@H]1CN(c2ccccc2CNc2ccccc2C[NH+]2CCSCC2)CCO1 ZINC000459361850 823171860 /nfs/dbraw/zinc/17/18/60/823171860.db2.gz WRULDHNLJJFEQW-LJQANCHMSA-N 1 0 397.588 4.073 20 0 GIADRO c1c(C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459354815 823169814 /nfs/dbraw/zinc/16/98/14/823169814.db2.gz JTHVXZXZUFYTQY-MOPGFXCFSA-N 1 0 380.536 4.309 20 0 GIADRO c1c(C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459354824 823169824 /nfs/dbraw/zinc/16/98/24/823169824.db2.gz JTHVXZXZUFYTQY-RBUKOAKNSA-N 1 0 380.536 4.309 20 0 GIADRO CC[NH+](CC)CCOc1cc(NC(=O)N(C)C2CC(C)(C)C2)ccc1OC ZINC000459361989 823171925 /nfs/dbraw/zinc/17/19/25/823171925.db2.gz GDFMPBNOUMSLMX-UHFFFAOYSA-N 1 0 377.529 4.068 20 0 GIADRO Cc1cccc([C@H]2CCCN2C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)c1 ZINC000056561988 823170253 /nfs/dbraw/zinc/17/02/53/823170253.db2.gz GUPRHQTUNIQICV-HSZRJFAPSA-N 1 0 392.547 4.424 20 0 GIADRO CCOc1cc(CNc2cccc(C[NH+]3CCC(O)CC3)c2)cc(Cl)c1O ZINC000459357105 823170479 /nfs/dbraw/zinc/17/04/79/823170479.db2.gz DCBYCSZLZOKVCB-UHFFFAOYSA-N 1 0 390.911 4.013 20 0 GIADRO CCO[C@@H]1C[C@]([NH3+])(C(=O)NCC2(Sc3ccc(C)cc3)CCCC2)C1(C)C ZINC000188005448 823170746 /nfs/dbraw/zinc/17/07/46/823170746.db2.gz XUOWUGGUNNNOQO-GCJKJVERSA-N 1 0 390.593 4.049 20 0 GIADRO CCO[C@H]1C[C@@]([NH3+])(C(=O)NCC2(Sc3ccc(C)cc3)CCCC2)C1(C)C ZINC000188005526 823170766 /nfs/dbraw/zinc/17/07/66/823170766.db2.gz XUOWUGGUNNNOQO-PGRDOPGGSA-N 1 0 390.593 4.049 20 0 GIADRO Oc1cccc(C[NH2+]C[C@H](c2ccco2)N2CCCCC2)c1Br ZINC000459358303 823170794 /nfs/dbraw/zinc/17/07/94/823170794.db2.gz CPESGNPFHFATKJ-OAHLLOKOSA-N 1 0 379.298 4.065 20 0 GIADRO Cc1ccc([C@@H](C)CNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)cc1 ZINC000176280589 823171220 /nfs/dbraw/zinc/17/12/20/823171220.db2.gz HLRIMNYUEGJEGV-FQEVSTJZSA-N 1 0 379.548 4.405 20 0 GIADRO c1ccc(N2CC[NH+](CCc3ccncc3)CC2)c(NC2CC3(CCC3)C2)c1 ZINC000459360339 823171276 /nfs/dbraw/zinc/17/12/76/823171276.db2.gz HIFBNZPEBIBURJ-UHFFFAOYSA-N 1 0 376.548 4.191 20 0 GIADRO C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@@H]1c2ccccc2CC12CCOCC2 ZINC000571369226 823172547 /nfs/dbraw/zinc/17/25/47/823172547.db2.gz WDUBRCAWNRQFQP-KSFYIVLOSA-N 1 0 382.479 4.227 20 0 GIADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Nc1cc(F)c(F)cc1OC ZINC000571367611 823172646 /nfs/dbraw/zinc/17/26/46/823172646.db2.gz FBSAEHQEPMGHSE-UHFFFAOYSA-N 1 0 397.388 4.102 20 0 GIADRO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H](C)c2ccccc2Cl)c(OC)c1 ZINC000121373300 823172683 /nfs/dbraw/zinc/17/26/83/823172683.db2.gz CKODXXTVKJIHHW-KBPBESRZSA-N 1 0 376.884 4.425 20 0 GIADRO CC(C)OC1CC([NH+]2CCC(C(=O)Nc3cccc(Br)c3)CC2)C1 ZINC000459377802 823177143 /nfs/dbraw/zinc/17/71/43/823177143.db2.gz XTOXSIRXTNBSTJ-UHFFFAOYSA-N 1 0 395.341 4.056 20 0 GIADRO CC(C)n1ncc(C(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1C1CC1 ZINC000121377093 823173533 /nfs/dbraw/zinc/17/35/33/823173533.db2.gz QXLMOJKFWFWTBV-HXUWFJFHSA-N 1 0 380.536 4.078 20 0 GIADRO O=C(Nc1ccc(OC2CCCC2)c(Cl)c1)NC1CC[NH+](C2CC2)CC1 ZINC000056595112 823177225 /nfs/dbraw/zinc/17/72/25/823177225.db2.gz SIYNCFFQFHPPQW-UHFFFAOYSA-N 1 0 377.916 4.410 20 0 GIADRO C[C@@H]1CN(c2ccccc2C[NH2+]Cc2cc(F)cc(Br)c2)CCO1 ZINC000459366610 823174234 /nfs/dbraw/zinc/17/42/34/823174234.db2.gz CTXKOSKDSKQKLU-CQSZACIVSA-N 1 0 393.300 4.103 20 0 GIADRO c1c(C[NH+]2CCC(OCC3CC3)CC2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459369092 823174360 /nfs/dbraw/zinc/17/43/60/823174360.db2.gz HEHYWTCBMDDRJW-UHFFFAOYSA-N 1 0 380.536 4.451 20 0 GIADRO COc1ccc(-c2ccccc2C)cc1C[N@H+]1CCO[C@@H]2CC[C@@H](OC)C[C@H]21 ZINC000459370849 823174837 /nfs/dbraw/zinc/17/48/37/823174837.db2.gz XPJXPDSQWPENPU-KIFXHHALSA-N 1 0 381.516 4.439 20 0 GIADRO CC(=O)Nc1ccc2c(C[N@H+]3C[C@@H](c4ccc(F)cc4)C[C@@H]3C)cc(=O)oc2c1 ZINC000121384739 823174915 /nfs/dbraw/zinc/17/49/15/823174915.db2.gz BWNXDUSQFCQZRA-YOEHRIQHSA-N 1 0 394.446 4.269 20 0 GIADRO CC(=O)Nc1ccc2c(C[N@H+]3C[C@H](c4ccc(F)cc4)C[C@H]3C)cc(=O)oc2c1 ZINC000121384914 823174950 /nfs/dbraw/zinc/17/49/50/823174950.db2.gz BWNXDUSQFCQZRA-RHSMWYFYSA-N 1 0 394.446 4.269 20 0 GIADRO C[C@@H]([NH2+]C(C)(C)CNC(=O)c1ccc(C(=O)c2cc[nH]c2)cc1)c1ccccc1 ZINC000176294595 823174979 /nfs/dbraw/zinc/17/49/79/823174979.db2.gz MESBLFFIWXQGLU-QGZVFWFLSA-N 1 0 389.499 4.105 20 0 GIADRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccccn1)c1cc(Cl)ccc1Cl ZINC000188040819 823175697 /nfs/dbraw/zinc/17/56/97/823175697.db2.gz LJFXKIFLVCAPKW-AWEZNQCLSA-N 1 0 395.334 4.223 20 0 GIADRO Cc1cnc([C@@H](C)C[NH2+]C[C@@H](O)COc2ccc(-c3ccccc3)cc2)s1 ZINC000571397466 823177445 /nfs/dbraw/zinc/17/74/45/823177445.db2.gz DNNIODLACOGHJH-OXJNMPFZSA-N 1 0 382.529 4.252 20 0 GIADRO Cn1cnc2cc(CN(CC[NH+](C)C)Cc3cccc(C(F)(F)F)c3)ccc21 ZINC000571392001 823176420 /nfs/dbraw/zinc/17/64/20/823176420.db2.gz LEEUTLGQQXZLAX-UHFFFAOYSA-N 1 0 390.453 4.156 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1CNC1CC[NH+](CCc2ccccc2)CC1 ZINC000459376043 823176564 /nfs/dbraw/zinc/17/65/64/823176564.db2.gz ZPZQZTNJUNKVOO-UHFFFAOYSA-N 1 0 394.588 4.378 20 0 GIADRO CC1CC[NH+](C2CCC(NC(=O)Nc3cccc(-c4nccn4C)c3)CC2)CC1 ZINC000121402196 823177922 /nfs/dbraw/zinc/17/79/22/823177922.db2.gz LBPXOIGTPORJBU-UHFFFAOYSA-N 1 0 395.551 4.252 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)N1CCC[C@@H]1c1ccccn1 ZINC000056599496 823178087 /nfs/dbraw/zinc/17/80/87/823178087.db2.gz KAIZEEQNZCSCIT-HXUWFJFHSA-N 1 0 382.508 4.171 20 0 GIADRO Cc1c([C@@H](C)[NH2+]Cc2ccc(Br)c(Br)c2)cnn1C ZINC000124519958 823603060 /nfs/dbraw/zinc/60/30/60/823603060.db2.gz ADFUEOXRRDCHDM-SECBINFHSA-N 1 0 387.119 4.104 20 0 GIADRO CC(C)n1cnnc1-c1ccccc1NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000176308064 823178283 /nfs/dbraw/zinc/17/82/83/823178283.db2.gz XWSMCXNBNLMPQU-SFHVURJKSA-N 1 0 386.544 4.014 20 0 GIADRO C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000571440668 823183005 /nfs/dbraw/zinc/18/30/05/823183005.db2.gz ZNKSMMUONYGLFY-BGXJKKHCSA-N 1 0 375.456 4.054 20 0 GIADRO Cc1cccc(NC2CCN(C(=O)c3ccccc3CC3CC[NH2+]CC3)CC2)c1 ZINC000571407617 823178415 /nfs/dbraw/zinc/17/84/15/823178415.db2.gz ICDQXNPNOPHNQM-UHFFFAOYSA-N 1 0 391.559 4.254 20 0 GIADRO CC(C)n1cnnc1-c1ccccc1NC(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000176309411 823178788 /nfs/dbraw/zinc/17/87/88/823178788.db2.gz LENYKHCSUVLYIA-KZNAEPCWSA-N 1 0 398.555 4.014 20 0 GIADRO CCOc1cc(C[NH2+]Cc2cc(OC)c(OCC)c(OC)c2)cc(Cl)c1O ZINC000459383360 823178896 /nfs/dbraw/zinc/17/88/96/823178896.db2.gz BFVSBFYZDNLROG-UHFFFAOYSA-N 1 0 395.883 4.150 20 0 GIADRO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000121431884 823183089 /nfs/dbraw/zinc/18/30/89/823183089.db2.gz LWYGBYYYVJRCDK-UPJWGTAASA-N 1 0 392.849 4.217 20 0 GIADRO Oc1cccc(CNCc2ccc(C[NH+]3CCCCC3)cc2)c1Br ZINC000459385280 823179571 /nfs/dbraw/zinc/17/95/71/823179571.db2.gz XEOJEVFUZMATLZ-UHFFFAOYSA-N 1 0 389.337 4.430 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)N(Cc2ccco2)C[C@H]2CCCO2)c1 ZINC000056621691 823183161 /nfs/dbraw/zinc/18/31/61/823183161.db2.gz GYVLVYWVUSRCGI-JOCHJYFZSA-N 1 0 399.535 4.012 20 0 GIADRO CC(C)(C)c1cnc(CCC(=O)NCC2([NH+]3CCCCC3)CCCCC2)o1 ZINC000188061499 823180061 /nfs/dbraw/zinc/18/00/61/823180061.db2.gz AMFNRSPYBDQJHD-UHFFFAOYSA-N 1 0 375.557 4.210 20 0 GIADRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+]Cc3ccc(C4CC4)cc3)cc2)C[C@H](C)O1 ZINC000459387932 823180206 /nfs/dbraw/zinc/18/02/06/823180206.db2.gz DILIFEOVKAWSAM-HDICACEKSA-N 1 0 378.516 4.103 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCC[C@@H]3c3ccccn3)cc2)C1 ZINC000056611519 823180760 /nfs/dbraw/zinc/18/07/60/823180760.db2.gz RTOYJDCNVSMOQJ-WMZHIEFXSA-N 1 0 392.547 4.360 20 0 GIADRO O=C(N[C@@H](c1ccccc1)c1cccc(F)c1)NC1CC[NH+](CC2CC2)CC1 ZINC000176305880 823177645 /nfs/dbraw/zinc/17/76/45/823177645.db2.gz KZHOIWMZHHQFEK-QFIPXVFZSA-N 1 0 381.495 4.089 20 0 GIADRO Cc1c(COc2ccccc2)cccc1NC(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000459418887 823188629 /nfs/dbraw/zinc/18/86/29/823188629.db2.gz GLKLBACHQFXCTR-LJQANCHMSA-N 1 0 381.520 4.427 20 0 GIADRO CC(C)Oc1ccc([C@H](CNCc2ncc(C(F)(F)F)s2)[NH+](C)C)cc1 ZINC000571479931 823189079 /nfs/dbraw/zinc/18/90/79/823189079.db2.gz ZYKNXSMYVINAIY-HNNXBMFYSA-N 1 0 387.471 4.342 20 0 GIADRO Cc1cnn([C@H]2CC[N@H+](Cc3cn(-c4ccc(C)cc4)nc3C(C)(C)C)C2)c1 ZINC000571458193 823185870 /nfs/dbraw/zinc/18/58/70/823185870.db2.gz ZBBKERMXJNWEQJ-NRFANRHFSA-N 1 0 377.536 4.430 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(NCc2cccc(O)c2Br)CC1 ZINC000459410810 823186946 /nfs/dbraw/zinc/18/69/46/823186946.db2.gz LBPCQJMZVUZJES-OAHLLOKOSA-N 1 0 389.337 4.470 20 0 GIADRO CC(C)OCC[NH+]1CCC(NC(=O)N[C@@H](C)c2cc3ccccc3s2)CC1 ZINC000176341038 823186976 /nfs/dbraw/zinc/18/69/76/823186976.db2.gz DJWGCNZJQGXRDV-INIZCTEOSA-N 1 0 389.565 4.151 20 0 GIADRO C[NH+](C)CCN(Cc1cccs1)C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000176343107 823187596 /nfs/dbraw/zinc/18/75/96/823187596.db2.gz XAZJWRBPFFKXIR-UHFFFAOYSA-N 1 0 385.455 4.040 20 0 GIADRO COc1ccc(NC(=O)NC[C@H](c2ccc(OC(C)C)cc2)[NH+](C)C)c(C)c1 ZINC000571472090 823187834 /nfs/dbraw/zinc/18/78/34/823187834.db2.gz BTPZAUVJMOTRFZ-OAQYLSRUSA-N 1 0 385.508 4.215 20 0 GIADRO CC(C)(C)OC(=O)CCC[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459416779 823188000 /nfs/dbraw/zinc/18/80/00/823188000.db2.gz CUKLOLKBZZSPOU-UHFFFAOYSA-N 1 0 384.524 4.272 20 0 GIADRO C[C@@H](CN(CC[NH+](C)C)Cc1ccccn1)c1cccc(Br)c1 ZINC000571483592 823189619 /nfs/dbraw/zinc/18/96/19/823189619.db2.gz GKBXECUFJLLZNN-INIZCTEOSA-N 1 0 376.342 4.011 20 0 GIADRO Clc1cccc(C[N@H+](CCn2ccnc2)Cc2cc(-n3ccnc3)cs2)c1 ZINC000571483691 823189668 /nfs/dbraw/zinc/18/96/68/823189668.db2.gz KAJWTQAYEKSMQV-UHFFFAOYSA-N 1 0 397.935 4.486 20 0 GIADRO CCOc1cc(C[NH2+][C@@H](c2cnn(C)c2)C(C)(C)C)cc(Br)c1O ZINC000459425009 823189865 /nfs/dbraw/zinc/18/98/65/823189865.db2.gz LCTYJJYVTJYNOW-KRWDZBQOSA-N 1 0 396.329 4.164 20 0 GIADRO FC1(F)CCC(C[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)CC1 ZINC000459426319 823190155 /nfs/dbraw/zinc/19/01/55/823190155.db2.gz SSFHIXBCLHRRKG-YLJYHZDGSA-N 1 0 388.462 4.311 20 0 GIADRO COc1ccccc1-c1noc(C2CC[NH+](CCOCC3CCCC3)CC2)n1 ZINC000459433505 823191184 /nfs/dbraw/zinc/19/11/84/823191184.db2.gz UYOGAGIIOZZMIA-UHFFFAOYSA-N 1 0 385.508 4.131 20 0 GIADRO Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000571521155 823195579 /nfs/dbraw/zinc/19/55/79/823195579.db2.gz WHHBVHRFXYQRAH-QGZVFWFLSA-N 1 0 387.527 4.339 20 0 GIADRO CCOc1cc(C[NH2+][C@@H]2CCCC[C@H]2n2cccn2)cc(Br)c1O ZINC000459434258 823191314 /nfs/dbraw/zinc/19/13/14/823191314.db2.gz HOSJKDRQCHJHGL-HZPDHXFCSA-N 1 0 394.313 4.023 20 0 GIADRO C[C@H]1CN(c2ccccc2C[NH2+][C@H]2CC(C)(C)Oc3cc(F)ccc32)CCO1 ZINC000459433558 823191338 /nfs/dbraw/zinc/19/13/38/823191338.db2.gz LWQUNTJYFGWOII-JXFKEZNVSA-N 1 0 384.495 4.443 20 0 GIADRO COc1cc(CCC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)ccc1Cl ZINC000121474940 823191466 /nfs/dbraw/zinc/19/14/66/823191466.db2.gz XTGZXBKWHBSZKW-IBGZPJMESA-N 1 0 392.971 4.252 20 0 GIADRO CCCNC(=O)CC[NH2+][C@@H](C)c1ccc(Br)cc1C(F)(F)F ZINC000188136487 823191886 /nfs/dbraw/zinc/19/18/86/823191886.db2.gz QDTRXJGARGWMRX-JTQLQIEISA-N 1 0 381.236 4.035 20 0 GIADRO CC(C)n1cc([C@@H](C)[NH2+]CCc2nc3sc4c(c3c(N)n2)CC[C@H](C)C4)cn1 ZINC000571527970 823195751 /nfs/dbraw/zinc/19/57/51/823195751.db2.gz QHHDKKXJIUANGV-UONOGXRCSA-N 1 0 398.580 4.069 20 0 GIADRO C[C@@H](C[NH2+]C1CCN(Cc2ccccn2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000188144687 823193367 /nfs/dbraw/zinc/19/33/67/823193367.db2.gz VNICXRGJNBAFFQ-INIZCTEOSA-N 1 0 377.454 4.458 20 0 GIADRO Cc1nc(CC(C)C)c(NC(=O)N(CC[NH+](C)C)Cc2ccsc2)s1 ZINC000459444986 823193548 /nfs/dbraw/zinc/19/35/48/823193548.db2.gz RKFJQFRMWCDHQZ-UHFFFAOYSA-N 1 0 380.583 4.307 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)Nc1ccc(F)cc1OC(F)F ZINC000459444968 823193644 /nfs/dbraw/zinc/19/36/44/823193644.db2.gz MQFUOUUXEWQRSJ-UHFFFAOYSA-N 1 0 387.427 4.084 20 0 GIADRO CC(=O)Nc1ccc(Cl)c(NC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000056692212 823194400 /nfs/dbraw/zinc/19/44/00/823194400.db2.gz XERZNMCANMWKSX-GASCZTMLSA-N 1 0 394.947 4.178 20 0 GIADRO C[N@H+](CCc1cccc(NCc2cccc(O)c2Br)c1)C1CC1 ZINC000459456855 823195899 /nfs/dbraw/zinc/19/58/99/823195899.db2.gz FGTAGYLZYDTPFA-UHFFFAOYSA-N 1 0 375.310 4.404 20 0 GIADRO CC(C)[C@@H](C[NH2+]C[C@@H](O)CO[C@@H](C)c1ccc(Cl)cc1)c1cccnc1 ZINC000571516372 823194807 /nfs/dbraw/zinc/19/48/07/823194807.db2.gz MKPLYPMQNSOKSF-ZLGUVYLKSA-N 1 0 376.928 4.203 20 0 GIADRO CCOc1cc(C[NH2+]C[C@@H](C)c2nc(-c3ccccc3)no2)cc(Cl)c1O ZINC000459452533 823194862 /nfs/dbraw/zinc/19/48/62/823194862.db2.gz LZXYILQUGNXXDS-CYBMUJFWSA-N 1 0 387.867 4.388 20 0 GIADRO Cc1ccc([C@H](OC[C@@H](O)C[NH2+][C@H](C)Cc2ccncc2)c2ccccc2)cc1 ZINC000571515970 823194906 /nfs/dbraw/zinc/19/49/06/823194906.db2.gz FEDQLDXCBAOGGN-DCEDVJGZSA-N 1 0 390.527 4.078 20 0 GIADRO CCOc1ccc([C@@H]([NH2+]Cc2cc(=O)[nH]c(C3CC3)n2)C(C)C)cc1OCC ZINC000459457498 823196147 /nfs/dbraw/zinc/19/61/47/823196147.db2.gz CWVIEZPGNAPOCG-NRFANRHFSA-N 1 0 385.508 4.344 20 0 GIADRO CCOc1cc(CNc2cc(C)ccn2)ccc1OCC(=O)Nc1ccccc1 ZINC000121508002 823196885 /nfs/dbraw/zinc/19/68/85/823196885.db2.gz XUVOPVAAZRIREO-UHFFFAOYSA-N 1 0 391.471 4.418 20 0 GIADRO Cc1nccn1C[C@H](C)C[NH2+][C@H](C)c1ccc(OC(F)F)cc1OC(F)F ZINC000121509179 823197207 /nfs/dbraw/zinc/19/72/07/823197207.db2.gz HDDILVHWUXPSMI-VXGBXAGGSA-N 1 0 389.393 4.381 20 0 GIADRO C[C@H]1C[C@H](NC(=O)N[C@H]2CCOc3c(F)cccc32)CC[N@@H+]1Cc1ccccc1 ZINC000188171114 823197616 /nfs/dbraw/zinc/19/76/16/823197616.db2.gz REIJRODXVVKIAN-CDXJDZJCSA-N 1 0 397.494 4.002 20 0 GIADRO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]Cc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1 ZINC000571540264 823197821 /nfs/dbraw/zinc/19/78/21/823197821.db2.gz IMFJSELQOWXSRY-OFNACDPKSA-N 1 0 383.536 4.216 20 0 GIADRO Cc1ccc([C@@H](C)NC(=O)C[NH+]2CCC(c3c[nH]c4ncccc34)CC2)cc1C ZINC000571563906 823201166 /nfs/dbraw/zinc/20/11/66/823201166.db2.gz UIPGHHZCBWIAOD-GOSISDBHSA-N 1 0 390.531 4.237 20 0 GIADRO C[C@H](CCO)C1(C[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)CCC1 ZINC000459467651 823198398 /nfs/dbraw/zinc/19/83/98/823198398.db2.gz QVABCGHSLZQRRO-GOSISDBHSA-N 1 0 382.552 4.339 20 0 GIADRO CC1(C)CC(NC(=O)Nc2cc(F)c(Br)cc2F)CC(C)(C)[NH2+]1 ZINC000121521776 823199363 /nfs/dbraw/zinc/19/93/63/823199363.db2.gz VPAUMSQKKGUXQY-UHFFFAOYSA-N 1 0 390.272 4.158 20 0 GIADRO C[C@H](O)C[C@H](C[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1)c1ccccc1 ZINC000121523999 823199709 /nfs/dbraw/zinc/19/97/09/823199709.db2.gz BBGJAACAJUBOKO-CNNODRBYSA-N 1 0 393.531 4.204 20 0 GIADRO CCOc1ccccc1Oc1ccccc1C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000176399571 823199811 /nfs/dbraw/zinc/19/98/11/823199811.db2.gz DOPFGQMFBRUADG-GOSISDBHSA-N 1 0 382.504 4.291 20 0 GIADRO C[C@H]1CN(c2ccccc2CNc2cccc(CC[N@H+](C)C3CC3)c2)CCO1 ZINC000459475239 823199973 /nfs/dbraw/zinc/19/99/73/823199973.db2.gz YUEOXGWTPMPUJT-IBGZPJMESA-N 1 0 379.548 4.161 20 0 GIADRO CC[NH+]1C[C@@H](C)N(CC(=O)Nc2ccccc2Oc2ccc(C)cc2)[C@H](C)C1 ZINC000459476864 823200699 /nfs/dbraw/zinc/20/06/99/823200699.db2.gz LXTLXDOIWKOCDY-RTBURBONSA-N 1 0 381.520 4.140 20 0 GIADRO CN(C)c1ccccc1C[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459482771 823202030 /nfs/dbraw/zinc/20/20/30/823202030.db2.gz RNDPWCIGDKMZJT-UHFFFAOYSA-N 1 0 375.520 4.416 20 0 GIADRO Oc1cccc(C[NH2+]C[C@@H]2CCCO[C@H]2c2ccccc2)c1Br ZINC000459483153 823202123 /nfs/dbraw/zinc/20/21/23/823202123.db2.gz YNHKYJOKYJLFNJ-LPHOPBHVSA-N 1 0 376.294 4.412 20 0 GIADRO COc1ccc(C[C@@](C)(O)C[NH2+]Cc2csc(Cl)c2Cl)cc1OC ZINC000571573890 823202763 /nfs/dbraw/zinc/20/27/63/823202763.db2.gz HKMFLYPSAMJEBU-QGZVFWFLSA-N 1 0 390.332 4.155 20 0 GIADRO Fc1cnccc1CN(Cc1ccncc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000459490875 823203251 /nfs/dbraw/zinc/20/32/51/823203251.db2.gz LMKLSSYAOUOAAN-HSZRJFAPSA-N 1 0 390.506 4.283 20 0 GIADRO c1c(C[N@H+]2CCC[C@H](OCC3CC3)C2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459497812 823204854 /nfs/dbraw/zinc/20/48/54/823204854.db2.gz JZOLKSMTMHBJQH-NRFANRHFSA-N 1 0 380.536 4.451 20 0 GIADRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)CCc1ncc(-c2ccc(C)cc2)o1)c1ccco1 ZINC000571593584 823204860 /nfs/dbraw/zinc/20/48/60/823204860.db2.gz JDGGIDKNGNTRAW-MJGOQNOKSA-N 1 0 395.503 4.421 20 0 GIADRO Cc1ccc(C[C@H](CO)[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)cc1 ZINC000459500488 823205430 /nfs/dbraw/zinc/20/54/30/823205430.db2.gz YHHVYNVTWRVCFH-OAQYLSRUSA-N 1 0 390.531 4.062 20 0 GIADRO C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000571604692 823206811 /nfs/dbraw/zinc/20/68/11/823206811.db2.gz YGUSXWVTQJXKIH-LYHRCORUSA-N 1 0 396.556 4.270 20 0 GIADRO C[C@H]1CN(c2ccccc2C[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)CCO1 ZINC000459503266 823205614 /nfs/dbraw/zinc/20/56/14/823205614.db2.gz KTSCFWVKDDPDQN-SFHVURJKSA-N 1 0 396.506 4.146 20 0 GIADRO CCOc1cc(C[N@H+](Cc2ccc(O)c(OC)c2)C2CC2)cc(Cl)c1O ZINC000459504406 823206008 /nfs/dbraw/zinc/20/60/08/823206008.db2.gz RFLTUVRRNORMMM-UHFFFAOYSA-N 1 0 377.868 4.323 20 0 GIADRO C(=C\c1ccc(OCc2ccccc2)cc1)\C[NH+]1CCC(Cn2cncn2)CC1 ZINC000459503385 823206061 /nfs/dbraw/zinc/20/60/61/823206061.db2.gz PTUSAONDNJMVCY-DAXSKMNVSA-N 1 0 388.515 4.283 20 0 GIADRO CCc1c(NC(=O)N(CC[NH+](C)C)Cc2ccsc2)cnn1C(CC)CC ZINC000459503684 823206118 /nfs/dbraw/zinc/20/61/18/823206118.db2.gz CHXLCKKWDAULSA-UHFFFAOYSA-N 1 0 391.585 4.464 20 0 GIADRO C[C@@H]1CN(c2ccccc2C[NH+]2CCC(c3ncccc3Cl)CC2)CCO1 ZINC000459511099 823208049 /nfs/dbraw/zinc/20/80/49/823208049.db2.gz PHOWHNFISDKZKB-QGZVFWFLSA-N 1 0 385.939 4.340 20 0 GIADRO CC[C@H](C)[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1)C(F)(F)F ZINC000571609870 823208588 /nfs/dbraw/zinc/20/85/88/823208588.db2.gz DLUQJXVWYHVZAP-BLLLJJGKSA-N 1 0 395.416 4.015 20 0 GIADRO CC[C@H](C)[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1)C(F)(F)F ZINC000571609871 823208602 /nfs/dbraw/zinc/20/86/02/823208602.db2.gz DLUQJXVWYHVZAP-LRDDRELGSA-N 1 0 395.416 4.015 20 0 GIADRO Cc1ccc(NC2CCN(c3cc[nH+]cc3)CC2)cc1C(=O)N1CCCCC1 ZINC000459514848 823208981 /nfs/dbraw/zinc/20/89/81/823208981.db2.gz LYMZYVGKWRMLNC-UHFFFAOYSA-N 1 0 378.520 4.097 20 0 GIADRO COc1cccc(COC[C@@H](O)C[N@@H+]2CCC[C@@H]2c2nc3ccccc3s2)c1 ZINC000121575673 823209097 /nfs/dbraw/zinc/20/90/97/823209097.db2.gz FIJXQDKWLKZJBQ-FXAWDEMLSA-N 1 0 398.528 4.020 20 0 GIADRO CC1(C)[NH2+]CC[C@H]1NC(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1 ZINC000571612192 823209120 /nfs/dbraw/zinc/20/91/20/823209120.db2.gz IZQJMBWZPGCXTI-QGZVFWFLSA-N 1 0 397.569 4.338 20 0 GIADRO c1c(C[NH2+]C[C@H]2CCCCN2C2CC2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459515866 823209319 /nfs/dbraw/zinc/20/93/19/823209319.db2.gz VHQQMEROIOCVLW-OAQYLSRUSA-N 1 0 379.552 4.167 20 0 GIADRO CCC(=O)N1CC[C@@H]([NH2+][C@@H](c2ccccc2)c2ccc(Br)cc2)C1 ZINC000188250002 823209440 /nfs/dbraw/zinc/20/94/40/823209440.db2.gz KDHPKHXEPUFJIZ-QUCCMNQESA-N 1 0 387.321 4.139 20 0 GIADRO O=C(NCC1CC[NH2+]CC1)N[C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000571626153 823211201 /nfs/dbraw/zinc/21/12/01/823211201.db2.gz YTKMCGIEANKQHQ-MRXNPFEDSA-N 1 0 389.849 4.109 20 0 GIADRO c1c(C[NH+]2CCC([C@@H]3CCCO3)CC2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000188279881 823213614 /nfs/dbraw/zinc/21/36/14/823213614.db2.gz HWRZQYQVKRGFFD-QHCPKHFHSA-N 1 0 388.515 4.325 20 0 GIADRO CC(=O)N1CCC[C@@H](C[NH2+]C/C=C\c2ccc(OCc3ccccc3)cc2)C1 ZINC000459533286 823213683 /nfs/dbraw/zinc/21/36/83/823213683.db2.gz SMQASFPLHWYZOY-IRIZWXGVSA-N 1 0 378.516 4.127 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+]Cc1cccnc1OCC(F)F)CCCS2 ZINC000188288198 823214663 /nfs/dbraw/zinc/21/46/63/823214663.db2.gz YLVUVWSROFESDV-MRXNPFEDSA-N 1 0 380.460 4.451 20 0 GIADRO CCOc1cc(C[N@H+](CCc2ccccn2)Cc2ccc(OC)cc2)ccc1O ZINC000459538314 823214946 /nfs/dbraw/zinc/21/49/46/823214946.db2.gz ZHOGIRKWDRWJCH-UHFFFAOYSA-N 1 0 392.499 4.439 20 0 GIADRO Cc1noc([C@H]2CC[N@H+](C/C=C\c3ccc(OCc4ccccc4)cc3)C2)n1 ZINC000459538179 823215096 /nfs/dbraw/zinc/21/50/96/823215096.db2.gz SKTXJDCQIYZELB-DPVXCJKMSA-N 1 0 375.472 4.460 20 0 GIADRO COc1ccc([C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C)o2)C(C)C)cc1 ZINC000056812163 823218117 /nfs/dbraw/zinc/21/81/17/823218117.db2.gz WYMVQBWWEBPGMO-NRFANRHFSA-N 1 0 387.524 4.067 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)Nc1ccc(-c2nncs2)cc1 ZINC000459538708 823215357 /nfs/dbraw/zinc/21/53/57/823215357.db2.gz DVOGHFKOAKYGFM-UHFFFAOYSA-N 1 0 395.532 4.367 20 0 GIADRO COc1ccc(-c2ccccc2C)cc1C[NH2+][C@H]1CCO[C@@H]1c1ccnn1C ZINC000459540607 823215699 /nfs/dbraw/zinc/21/56/99/823215699.db2.gz ZMLOJUYEWWUGOY-REWPJTCUSA-N 1 0 377.488 4.024 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCSc3ccc(Cl)cc32)[C@H]1n1cccn1 ZINC000571662066 823215823 /nfs/dbraw/zinc/21/58/23/823215823.db2.gz DLFIFFAUFUJAJW-SFNKJDCFSA-N 1 0 377.941 4.472 20 0 GIADRO c1cc(-c2nc3ccccc3s2)oc1C[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000571665630 823216447 /nfs/dbraw/zinc/21/64/47/823216447.db2.gz STOXAADTHFEOBM-KRWDZBQOSA-N 1 0 384.501 4.326 20 0 GIADRO CCOc1cc(C[NH2+]CC[C@@H]2C[C@@H](C)O[C@@H](C)C2)cc(Br)c1O ZINC000459544139 823216549 /nfs/dbraw/zinc/21/65/49/823216549.db2.gz NFKAKFYQZQQQKX-BTTYYORXSA-N 1 0 386.330 4.237 20 0 GIADRO CCOc1cc(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)cc(Cl)c1O ZINC000459544783 823216664 /nfs/dbraw/zinc/21/66/64/823216664.db2.gz KENNVGSRGSPTHS-GGPKGHCWSA-N 1 0 387.907 4.449 20 0 GIADRO Cc1cc(CC(C)(C)NC(=O)C2CC[NH+](C(C)C)CC2)ccc1Br ZINC000571668934 823216961 /nfs/dbraw/zinc/21/69/61/823216961.db2.gz YTZAGYIHFNCTLX-UHFFFAOYSA-N 1 0 395.385 4.315 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)N[C@@H]1CCOc2c(Cl)cccc21 ZINC000056805500 823217127 /nfs/dbraw/zinc/21/71/27/823217127.db2.gz KCTULRLHBTVCMV-HXUWFJFHSA-N 1 0 399.922 4.259 20 0 GIADRO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1C/C=C/c1ccc(OCc2ccccc2)cc1 ZINC000459546017 823217188 /nfs/dbraw/zinc/21/71/88/823217188.db2.gz MBWRGUDHSYJBSP-XXASKBIOSA-N 1 0 392.543 4.074 20 0 GIADRO COc1ccc(OC)c([C@H]2C[C@H]2C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)c1 ZINC000188306316 823217387 /nfs/dbraw/zinc/21/73/87/823217387.db2.gz TXCXRXULTBTDTF-IFMALSPDSA-N 1 0 394.515 4.084 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)Cc1[nH]nc2c1CCCC2)C1CCCCC1 ZINC000188310055 823217705 /nfs/dbraw/zinc/21/77/05/823217705.db2.gz ZQPBSTURDBJGKT-UHFFFAOYSA-N 1 0 380.536 4.234 20 0 GIADRO CC(C)c1nnc(NC(=O)C[NH2+][C@H](C)c2ccc(Oc3cccnc3)cc2)s1 ZINC000571679418 823217797 /nfs/dbraw/zinc/21/77/97/823217797.db2.gz PSFPEYHVJSOSAS-CQSZACIVSA-N 1 0 397.504 4.138 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)c2ccc(Br)cc2)o1 ZINC000056824937 823219565 /nfs/dbraw/zinc/21/95/65/823219565.db2.gz QNYPVYWGIBHOPM-CYBMUJFWSA-N 1 0 379.298 4.375 20 0 GIADRO O=C(CCCC1CCOCC1)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000409455713 823223048 /nfs/dbraw/zinc/22/30/48/823223048.db2.gz YRUAZWXWDFNRQN-FQEVSTJZSA-N 1 0 378.944 4.190 20 0 GIADRO Cc1ccc(-c2ccnn2C)cc1NC(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000459551931 823218566 /nfs/dbraw/zinc/21/85/66/823218566.db2.gz XTOFGMXWJHQQCQ-UHFFFAOYSA-N 1 0 397.548 4.053 20 0 GIADRO COc1ccc([C@H]2CCCN2C(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000176485236 823218861 /nfs/dbraw/zinc/21/88/61/823218861.db2.gz NDQYJSUGNUTUNT-JOCHJYFZSA-N 1 0 385.552 4.339 20 0 GIADRO Cc1nc(C(F)(F)F)ccc1NC(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000459553252 823218925 /nfs/dbraw/zinc/21/89/25/823218925.db2.gz ALZPPQQYIHMLFF-UHFFFAOYSA-N 1 0 386.443 4.066 20 0 GIADRO [NH3+][C@@H]1CCc2ncc(NC(=O)c3cc(C4CC4)nc4ccc(Cl)cc43)cc2C1 ZINC000571688074 823219092 /nfs/dbraw/zinc/21/90/92/823219092.db2.gz LXOBBCVADBIOTM-OAHLLOKOSA-N 1 0 392.890 4.229 20 0 GIADRO CO[C@@H](C[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1)Cc1ccccc1 ZINC000459574045 823223438 /nfs/dbraw/zinc/22/34/38/823223438.db2.gz SMORIVPSTBEALU-JOCHJYFZSA-N 1 0 390.531 4.408 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](c1ccccc1)c1ccccc1OC ZINC000176504589 823223514 /nfs/dbraw/zinc/22/35/14/823223514.db2.gz UYDYGUCYIDWISH-QTEQDKRBSA-N 1 0 393.531 4.053 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Cn2ccc3ccc(Cl)cc32)C1 ZINC000409458060 823223599 /nfs/dbraw/zinc/22/35/99/823223599.db2.gz YUQGLGCKGRLTNF-UZLBHIALSA-N 1 0 381.907 4.246 20 0 GIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccn(-c3cccc(Cl)c3)n2)C1 ZINC000409460483 823224236 /nfs/dbraw/zinc/22/42/36/823224236.db2.gz SXJZVLGIAURUNB-LPHOPBHVSA-N 1 0 394.906 4.091 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)C(C)(C)c2ccc(OC)c(OC)c2)cc1 ZINC000188353314 823224502 /nfs/dbraw/zinc/22/45/02/823224502.db2.gz XOVRVMYUOQMGRC-UHFFFAOYSA-N 1 0 384.520 4.462 20 0 GIADRO COc1ccc(C[N@@H+]2CC[C@H](n3ncc4ccccc43)C2)c(Br)c1 ZINC000571721003 823224944 /nfs/dbraw/zinc/22/49/44/823224944.db2.gz BEEHCTKPJPUWPV-INIZCTEOSA-N 1 0 386.293 4.254 20 0 GIADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)C(C)(C)c2ccccc2Br)C1 ZINC000409462643 823225246 /nfs/dbraw/zinc/22/52/46/823225246.db2.gz HDAYHZFVJGYCBR-MRXNPFEDSA-N 1 0 395.385 4.355 20 0 GIADRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)c2cnc3cnccc3c2)C1 ZINC000409464173 823225815 /nfs/dbraw/zinc/22/58/15/823225815.db2.gz IODSLIJZDOZZJN-ROUUACIJSA-N 1 0 388.515 4.038 20 0 GIADRO Cc1ccc(C(=O)C2CCN(C(=O)NCCCC[N@H+]3CCC[C@@H](C)C3)CC2)cc1 ZINC000056868845 823225875 /nfs/dbraw/zinc/22/58/75/823225875.db2.gz SBRRRFXIUBUNAX-HXUWFJFHSA-N 1 0 399.579 4.111 20 0 GIADRO Clc1cc(Br)ccc1C1(C[NH2+]C2CCN(C3CC3)CC2)CC1 ZINC000459592905 823226702 /nfs/dbraw/zinc/22/67/02/823226702.db2.gz PNQSQXSIBYMAFB-UHFFFAOYSA-N 1 0 383.761 4.351 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)CCCC2CCOCC2)C1 ZINC000409466673 823226714 /nfs/dbraw/zinc/22/67/14/823226714.db2.gz TUAXOINADQXAEY-BGYRXZFFSA-N 1 0 386.580 4.378 20 0 GIADRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)CCCC2CCOCC2)C1 ZINC000409466674 823226773 /nfs/dbraw/zinc/22/67/73/823226773.db2.gz TUAXOINADQXAEY-PMACEKPBSA-N 1 0 386.580 4.378 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)[C@H]2CCCCN2C(=O)c2cccs2)cc1 ZINC000188372336 823228300 /nfs/dbraw/zinc/22/83/00/823228300.db2.gz SQHCUWVCOCAJLB-LJQANCHMSA-N 1 0 399.560 4.223 20 0 GIADRO COc1ccc(-c2ccccc2C)cc1C[NH2+][C@@H](C)C(=O)Nc1cccnc1C ZINC000459598748 823227535 /nfs/dbraw/zinc/22/75/35/823227535.db2.gz QDXTUCFDCXQTJK-SFHVURJKSA-N 1 0 389.499 4.491 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)CCOc2cccc(Cl)c2Cl)c1 ZINC000056891859 823228416 /nfs/dbraw/zinc/22/84/16/823228416.db2.gz NGMJOLMEKJHDEJ-UHFFFAOYSA-N 1 0 381.303 4.140 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)C[NH2+][C@@]2(C)CCCC[C@@H]2C)c(C(F)(F)F)c1 ZINC000459605711 823228845 /nfs/dbraw/zinc/22/88/45/823228845.db2.gz DNJDPQBVFMXBKQ-SGTLLEGYSA-N 1 0 385.430 4.161 20 0 GIADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C2(Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000188378590 823229901 /nfs/dbraw/zinc/22/99/01/823229901.db2.gz YKTVDWVYMISVLS-KRWDZBQOSA-N 1 0 382.470 4.122 20 0 GIADRO C[C@@H]1CCCC[C@]1(C)[NH2+]Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000459618783 823230637 /nfs/dbraw/zinc/23/06/37/823230637.db2.gz SXWKAXRRPOEHKG-KUHUBIRLSA-N 1 0 378.563 4.272 20 0 GIADRO Cc1ccc([C@@H](OC[C@H](O)C[NH2+][C@@H](C)c2cncc(F)c2)c2ccccc2)cc1 ZINC000459620220 823231018 /nfs/dbraw/zinc/23/10/18/823231018.db2.gz HQJUBUULPXXLCU-GLYQVZKVSA-N 1 0 394.490 4.347 20 0 GIADRO C[C@H]([NH2+]CC(=O)N(CCc1ccccc1)Cc1ccccc1)c1cncc(F)c1 ZINC000459621121 823231033 /nfs/dbraw/zinc/23/10/33/823231033.db2.gz JSDZABWKDBVXGT-IBGZPJMESA-N 1 0 391.490 4.143 20 0 GIADRO C[C@]1([NH3+])CCCC[C@H]1C(=O)Nc1cccc(C[S@](=O)C2CCCCC2)c1 ZINC000571759584 823231401 /nfs/dbraw/zinc/23/14/01/823231401.db2.gz YOFZEYKKNXGZSY-ZVOVDXHFSA-N 1 0 376.566 4.114 20 0 GIADRO CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc1cccs1)c1ccc(F)cc1F ZINC000176535662 823231644 /nfs/dbraw/zinc/23/16/44/823231644.db2.gz SFSGTZIHAIOHDY-GOSISDBHSA-N 1 0 381.492 4.251 20 0 GIADRO COc1ccc(-c2nn(-c3ccccc3)cc2C[NH+]2CC3(C2)CCOCC3)cc1 ZINC000459624541 823231716 /nfs/dbraw/zinc/23/17/16/823231716.db2.gz SWTFLABKWZMAKI-UHFFFAOYSA-N 1 0 389.499 4.160 20 0 GIADRO C[C@@H](CCCc1cccnc1)[NH2+]CC(=O)N1CC[C@@H](C)Sc2ccccc21 ZINC000459631092 823233065 /nfs/dbraw/zinc/23/30/65/823233065.db2.gz BDOPBGNBALYPDK-ZWKOTPCHSA-N 1 0 383.561 4.300 20 0 GIADRO C[C@H](C(=O)Nc1ccc(OCC[NH+](C)C)cc1)c1ccc(C(F)(F)F)cc1 ZINC000409486259 823232126 /nfs/dbraw/zinc/23/21/26/823232126.db2.gz NDCHLAARUPPYAU-AWEZNQCLSA-N 1 0 380.410 4.388 20 0 GIADRO [NH3+]C[C@@H]1CCCN(C(=O)Nc2cccnc2Oc2ccc(Cl)cc2Cl)C1 ZINC000571771748 823232451 /nfs/dbraw/zinc/23/24/51/823232451.db2.gz QAPHBNQJHCKNFN-LBPRGKRZSA-N 1 0 395.290 4.383 20 0 GIADRO Fc1ccc(OCCC[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)cc1 ZINC000459630473 823232663 /nfs/dbraw/zinc/23/26/63/823232663.db2.gz AHVCGKYRJCMQOW-QGZVFWFLSA-N 1 0 375.406 4.276 20 0 GIADRO C[C@@H](c1cc(F)ccc1F)N(C)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000056934566 823232697 /nfs/dbraw/zinc/23/26/97/823232697.db2.gz WVNNUGSBLJBUOH-ORAYPTAESA-N 1 0 379.426 4.109 20 0 GIADRO CC(C)CC[NH+]1CCC(CNC(=O)CCc2ncc(-c3ccccc3)o2)CC1 ZINC000176543705 823233525 /nfs/dbraw/zinc/23/35/25/823233525.db2.gz FTVJUOSCFJGXFJ-UHFFFAOYSA-N 1 0 383.536 4.149 20 0 GIADRO C[C@H](CCCc1cccnc1)[NH2+]CC[S@@](=O)c1cc(Cl)ccc1Cl ZINC000459645778 823237401 /nfs/dbraw/zinc/23/74/01/823237401.db2.gz RIRCRJZNNNWGOE-JBEBIEQOSA-N 1 0 385.360 4.497 20 0 GIADRO CC(C)(C(=O)N1CCC([NH+]2CCCCC2)CC1)c1ccccc1Br ZINC000409492080 823233912 /nfs/dbraw/zinc/23/39/12/823233912.db2.gz STRFRHJIHYUNAY-UHFFFAOYSA-N 1 0 393.369 4.204 20 0 GIADRO C[C@@H](CCCc1cccnc1)[NH2+][C@@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000459634286 823233935 /nfs/dbraw/zinc/23/39/35/823233935.db2.gz FKLYHHVPTSCLBN-GJZGRUSLSA-N 1 0 379.426 4.428 20 0 GIADRO COc1ccc(C[C@@H](C)C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)cc1 ZINC000121705863 823234450 /nfs/dbraw/zinc/23/44/50/823234450.db2.gz FCYVEVRZTJBIBR-QGZVFWFLSA-N 1 0 384.545 4.061 20 0 GIADRO Cc1cnc([C@H](C)NC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)s1 ZINC000176562074 823237458 /nfs/dbraw/zinc/23/74/58/823237458.db2.gz BMPVFRDZIJYFPU-AWEZNQCLSA-N 1 0 392.956 4.130 20 0 GIADRO Cc1cc(CNCc2nc3c(s2)C[N@H+](C(C)C)CC3)ccc1Br ZINC000459636751 823234845 /nfs/dbraw/zinc/23/48/45/823234845.db2.gz AINNUESGWGMQHZ-UHFFFAOYSA-N 1 0 394.382 4.270 20 0 GIADRO CC[NH+](CC)CC1CCN(C(=O)c2sc(-c3ccc(C)o3)nc2C)CC1 ZINC000056983083 823237504 /nfs/dbraw/zinc/23/75/04/823237504.db2.gz LUOWIRGOTSPDDQ-UHFFFAOYSA-N 1 0 375.538 4.214 20 0 GIADRO OC[C@]1(Cc2ccc(F)cc2)CC[N@H+](Cc2c(Cl)ccc3cccnc32)C1 ZINC000571795908 823235611 /nfs/dbraw/zinc/23/56/11/823235611.db2.gz BIOQFPCXQVPMGL-QFIPXVFZSA-N 1 0 384.882 4.454 20 0 GIADRO C[C@H]([NH2+]CC[S@](=O)c1cc(Cl)ccc1Cl)c1nc2c(s1)CCC2 ZINC000459642764 823236226 /nfs/dbraw/zinc/23/62/26/823236226.db2.gz ZPSGEJSSXHSSDM-VCGICTTQSA-N 1 0 389.373 4.397 20 0 GIADRO C[C@@H](CCCc1cccnc1)[NH2+]CC(=O)Nc1nc(-c2cccs2)cs1 ZINC000459643691 823236267 /nfs/dbraw/zinc/23/62/67/823236267.db2.gz VGGIOPMZTUTDLM-AWEZNQCLSA-N 1 0 386.546 4.206 20 0 GIADRO COc1cc(-c2nc(C[NH2+][C@@H](C)CCCc3cccnc3)cs2)ccc1O ZINC000459643684 823236328 /nfs/dbraw/zinc/23/63/28/823236328.db2.gz VEBSQSSTMCSCNY-HNNXBMFYSA-N 1 0 383.517 4.420 20 0 GIADRO CC(=O)Nc1ccc(Cl)c(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000121716268 823236397 /nfs/dbraw/zinc/23/63/97/823236397.db2.gz YEWIWOROBLSAQG-KRWDZBQOSA-N 1 0 391.943 4.027 20 0 GIADRO COc1ccc([C@@H](CNC(=O)c2cc3nc(C)ccc3o2)[NH+]2CCCCC2)cc1 ZINC000409509623 823237037 /nfs/dbraw/zinc/23/70/37/823237037.db2.gz XNXIDLSFJJQNDP-HXUWFJFHSA-N 1 0 393.487 4.102 20 0 GIADRO FC(F)Oc1ccccc1C[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459645607 823237076 /nfs/dbraw/zinc/23/70/76/823237076.db2.gz QYYPBCJDHXOTSJ-OAHLLOKOSA-N 1 0 379.369 4.469 20 0 GIADRO C[C@H](C[NH2+]CC(=O)Nc1ccc(F)c(F)c1F)c1ccc(C(F)(F)F)cc1 ZINC000571807399 823237184 /nfs/dbraw/zinc/23/71/84/823237184.db2.gz JGDQUFSDJGGSOP-SNVBAGLBSA-N 1 0 390.327 4.455 20 0 GIADRO COc1ccc([C@H](Cc2ccncc2)[NH2+][C@@H]2CCC[C@H](C(=O)NC(C)C)C2)cc1 ZINC000571811972 823237984 /nfs/dbraw/zinc/23/79/84/823237984.db2.gz VYXDSZSSZPIUET-XJUOHMSHSA-N 1 0 395.547 4.047 20 0 GIADRO CC[NH+]1CCC(N(C)C(=O)c2ccc3c(c2)nc(C)n3Cc2ccsc2)CC1 ZINC000409513200 823238252 /nfs/dbraw/zinc/23/82/52/823238252.db2.gz LWXRSUYIQUJNPQ-UHFFFAOYSA-N 1 0 396.560 4.011 20 0 GIADRO Cc1nccnc1[C@H](C)[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000188448871 823242486 /nfs/dbraw/zinc/24/24/86/823242486.db2.gz URJUDBQMTHBKET-AWEZNQCLSA-N 1 0 379.335 4.407 20 0 GIADRO COc1ccc(NC(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)cc1SC ZINC000459650500 823239282 /nfs/dbraw/zinc/23/92/82/823239282.db2.gz MQNFDFVPCDIOPX-INIZCTEOSA-N 1 0 389.521 4.277 20 0 GIADRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2c(C)onc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000188451609 823242636 /nfs/dbraw/zinc/24/26/36/823242636.db2.gz YATURSADROJPQW-MRXNPFEDSA-N 1 0 395.425 4.225 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H]1C[C@H]1c1ccccc1F ZINC000459654896 823240824 /nfs/dbraw/zinc/24/08/24/823240824.db2.gz HCFFSQLHFQAYLY-YLQAJVPDSA-N 1 0 376.859 4.351 20 0 GIADRO C[C@H]([NH2+]C1CCN(Cc2ccccc2Br)CC1)c1cncc(F)c1 ZINC000459655237 823241022 /nfs/dbraw/zinc/24/10/22/823241022.db2.gz UPXSJJDGJRZVIT-AWEZNQCLSA-N 1 0 392.316 4.298 20 0 GIADRO COc1cc(Cl)c(CNCc2ccncc2OCCC[NH+](C)C)cc1Cl ZINC000571836176 823242243 /nfs/dbraw/zinc/24/22/43/823242243.db2.gz ZAMQZMYRMBWPEW-UHFFFAOYSA-N 1 0 398.334 4.017 20 0 GIADRO O=C(CSCc1ccc(Cl)cc1Cl)N1CCC([NH+]2CCCC2)CC1 ZINC000056983385 823237883 /nfs/dbraw/zinc/23/78/83/823237883.db2.gz TZOVTQZPWUIEJB-UHFFFAOYSA-N 1 0 387.376 4.313 20 0 GIADRO OC[C@@]1(Cc2ccc(F)cc2)CC[N@H+](Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000571841257 823243371 /nfs/dbraw/zinc/24/33/71/823243371.db2.gz HTSLQNPLDWHEMZ-LJQANCHMSA-N 1 0 385.376 4.411 20 0 GIADRO Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459662766 823244524 /nfs/dbraw/zinc/24/45/24/823244524.db2.gz NXUHETGZUXRTQK-IBGZPJMESA-N 1 0 393.453 4.362 20 0 GIADRO O=c1[nH]c2ccccc2cc1C[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459663212 823244710 /nfs/dbraw/zinc/24/47/10/823244710.db2.gz OJHUJIWURJWKTE-KRWDZBQOSA-N 1 0 380.410 4.121 20 0 GIADRO C[C@H](NC(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1ccc(-c2cccnc2)cc1 ZINC000176600380 823245536 /nfs/dbraw/zinc/24/55/36/823245536.db2.gz SWNJZKTXESOGCM-IBGZPJMESA-N 1 0 392.547 4.470 20 0 GIADRO CCCC[NH+]1CCC(NC(=O)N2CCC(c3cccc(F)c3F)CC2)CC1 ZINC000571851672 823245735 /nfs/dbraw/zinc/24/57/35/823245735.db2.gz ZXWIATGPLMXCPO-UHFFFAOYSA-N 1 0 379.495 4.118 20 0 GIADRO Cc1cccc2[nH]c(CCC(=O)NC3CC[NH+]([C@@H](C)c4ccccc4)CC3)nc21 ZINC000176602146 823245920 /nfs/dbraw/zinc/24/59/20/823245920.db2.gz IVUBKIICCAHBJJ-SFHVURJKSA-N 1 0 390.531 4.146 20 0 GIADRO O=C(CCC[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1)c1ccc(F)cc1 ZINC000459672055 823247701 /nfs/dbraw/zinc/24/77/01/823247701.db2.gz XBDUKNNPPVOPPS-SFHVURJKSA-N 1 0 387.417 4.470 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)c2ccc(-c3cccnc3)cc2)C1 ZINC000176602725 823246136 /nfs/dbraw/zinc/24/61/36/823246136.db2.gz PPJJRVGHNPKTIN-OALUTQOASA-N 1 0 380.536 4.183 20 0 GIADRO O=C(CC[N@@H+]1CC2(CCC2)[C@@H]2COC[C@@H]21)Nc1ccccc1-c1ccccc1 ZINC000459670520 823246945 /nfs/dbraw/zinc/24/69/45/823246945.db2.gz JXWZSOSMZJGHRP-IRLDBZIGSA-N 1 0 376.500 4.183 20 0 GIADRO C[C@@H](Oc1ccc(C(=O)N2CCC(OCC[NH+](C)C)CC2)cc1)c1ccccc1 ZINC000409551157 823247962 /nfs/dbraw/zinc/24/79/62/823247962.db2.gz STEAVZOBPVATPK-LJQANCHMSA-N 1 0 396.531 4.009 20 0 GIADRO FC(F)Oc1ccc(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)cc1Cl ZINC000121791498 823252341 /nfs/dbraw/zinc/25/23/41/823252341.db2.gz HBWOLTGVEDKGNC-AWEZNQCLSA-N 1 0 392.837 4.364 20 0 GIADRO C[C@H]([NH2+]C1CCC(O)(c2cccnc2)CC1)c1ccc(Br)cc1F ZINC000188481804 823248229 /nfs/dbraw/zinc/24/82/29/823248229.db2.gz PLAJMRWKUAYHJE-ISWZSGDOSA-N 1 0 393.300 4.464 20 0 GIADRO Cc1ncc(C[NH2+][C@H](C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)o1 ZINC000459677724 823248541 /nfs/dbraw/zinc/24/85/41/823248541.db2.gz QAAZNMKJQYMGQP-SECBINFHSA-N 1 0 375.778 4.162 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)Nc1cnn([C@@H](C)C2CC2)c1 ZINC000188485406 823248949 /nfs/dbraw/zinc/24/89/49/823248949.db2.gz NBDSCLRCQBCYNN-INIZCTEOSA-N 1 0 385.512 4.219 20 0 GIADRO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000459680807 823249698 /nfs/dbraw/zinc/24/96/98/823249698.db2.gz RJXYYMXMHFSADU-PIPMEXSNSA-N 1 0 376.500 4.182 20 0 GIADRO CC1(C)Oc2ccsc2[C@@H]([NH2+]Cc2cccc(OCC(F)(F)F)c2)[C@@H]1O ZINC000459681028 823249760 /nfs/dbraw/zinc/24/97/60/823249760.db2.gz CYBLPNOZQPWEAM-ZBFHGGJFSA-N 1 0 387.423 4.052 20 0 GIADRO C[C@H](C(=O)NCc1ccc(C[NH+](C)C)c(F)c1)c1ccc(Br)s1 ZINC000121787544 823251427 /nfs/dbraw/zinc/25/14/27/823251427.db2.gz OCAOIHYKDWIXCP-NSHDSACASA-N 1 0 399.329 4.131 20 0 GIADRO COc1cc(OC)c(C[N@@H+]2CCC[C@@H]2Cn2c(C)nc3ccccc32)c(OC)c1 ZINC000571905077 823252201 /nfs/dbraw/zinc/25/22/01/823252201.db2.gz ZOXNTOBOBWQCCV-QGZVFWFLSA-N 1 0 395.503 4.035 20 0 GIADRO CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC000188508746 823253250 /nfs/dbraw/zinc/25/32/50/823253250.db2.gz MCXOVHZAVMKEJK-MRXNPFEDSA-N 1 0 399.501 4.391 20 0 GIADRO CC(C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C(F)(F)F)=C1CCCC1 ZINC000176631931 823253418 /nfs/dbraw/zinc/25/34/18/823253418.db2.gz ZLSRUTZKHJFMTK-UHFFFAOYSA-N 1 0 381.442 4.286 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)N[C@H](CC(F)(F)F)c1ccccc1)Cc1ccccc1 ZINC000057131458 823253493 /nfs/dbraw/zinc/25/34/93/823253493.db2.gz SADSJIIUBRBTTL-RTBURBONSA-N 1 0 393.453 4.152 20 0 GIADRO C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]C1CCC(C(F)F)CC1 ZINC000459701784 823253504 /nfs/dbraw/zinc/25/35/04/823253504.db2.gz CNRRFMSPUKBMLV-FHERZECASA-N 1 0 378.463 4.255 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)N[C@H](CC(F)(F)F)c1ccccc1)Cc1ccccc1 ZINC000057131457 823253609 /nfs/dbraw/zinc/25/36/09/823253609.db2.gz SADSJIIUBRBTTL-RBUKOAKNSA-N 1 0 393.453 4.152 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000121798840 823253841 /nfs/dbraw/zinc/25/38/41/823253841.db2.gz XKSKPZLTZDLDOF-HZPDHXFCSA-N 1 0 393.487 4.404 20 0 GIADRO O=C(Nc1ccc(Cl)c(Br)c1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000176636853 823254666 /nfs/dbraw/zinc/25/46/66/823254666.db2.gz TXFWWSAFAKGBKR-ZDUSSCGKSA-N 1 0 386.721 4.195 20 0 GIADRO CN(C(=O)c1ccc(NC/C=C\c2ccc(F)c(F)c2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000571923941 823254976 /nfs/dbraw/zinc/25/49/76/823254976.db2.gz HMURXWPJFNTDKK-MNKBLEIRSA-N 1 0 399.485 4.256 20 0 GIADRO O=C(Nc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1)c1ccco1 ZINC000057153272 823255743 /nfs/dbraw/zinc/25/57/43/823255743.db2.gz SEFGQBHFATTYKG-FQEVSTJZSA-N 1 0 389.455 4.135 20 0 GIADRO Cc1cc(Br)ccc1-c1noc([C@@]2(F)CC[N@@H+](C(C)(C)C)C2)n1 ZINC000571932574 823256540 /nfs/dbraw/zinc/25/65/40/823256540.db2.gz YEZFXFWBPTWMLM-QGZVFWFLSA-N 1 0 382.277 4.477 20 0 GIADRO C[C@@H]([NH2+]C1CCN(CCc2ccccc2)CC1)c1ccc(NC(=O)C2CC2)cc1 ZINC000121813593 823256647 /nfs/dbraw/zinc/25/66/47/823256647.db2.gz YCCATQOXPALKRF-LJQANCHMSA-N 1 0 391.559 4.393 20 0 GIADRO Cc1cccc2nc(C3CCN(C(=O)[C@@H]4CC[N@@H+](C5CCCCC5)C4)CC3)oc21 ZINC000188530716 823258082 /nfs/dbraw/zinc/25/80/82/823258082.db2.gz GWLZZIVUFZWEAM-LJQANCHMSA-N 1 0 395.547 4.497 20 0 GIADRO O=C(N[C@@H](CC(F)(F)F)c1ccccc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000057130501 823252872 /nfs/dbraw/zinc/25/28/72/823252872.db2.gz OLYACLCSPPNUJV-SFHVURJKSA-N 1 0 383.458 4.198 20 0 GIADRO O=C([C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000057169341 823258286 /nfs/dbraw/zinc/25/82/86/823258286.db2.gz YVFXFOQYINUWBV-FPOVZHCZSA-N 1 0 389.499 4.198 20 0 GIADRO CCOc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000057169974 823258432 /nfs/dbraw/zinc/25/84/32/823258432.db2.gz KSZVADLMLXDOFB-SFHVURJKSA-N 1 0 396.531 4.183 20 0 GIADRO FC(F)(F)c1ccc(-c2n[nH]cc2C[N@@H+]2CC3(CCC3)[C@H]3COC[C@@H]32)cc1 ZINC000459741495 823259156 /nfs/dbraw/zinc/25/91/56/823259156.db2.gz YJGXOGRBOWHNKV-IRXDYDNUSA-N 1 0 377.410 4.096 20 0 GIADRO C[C@@H](CC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)N1CCCCC1=O ZINC000188538350 823259232 /nfs/dbraw/zinc/25/92/32/823259232.db2.gz RXZHHIJLRJFKIT-SFHVURJKSA-N 1 0 385.552 4.181 20 0 GIADRO O[C@@H]1CC[N@H+](CC2=Cc3cc(Br)ccc3OC2)C[C@H]1C1CCCC1 ZINC000459743431 823259260 /nfs/dbraw/zinc/25/92/60/823259260.db2.gz CKDDNQJTUWEIDZ-RBUKOAKNSA-N 1 0 392.337 4.098 20 0 GIADRO CC(C)(C)NC(=O)c1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000057175642 823259412 /nfs/dbraw/zinc/25/94/12/823259412.db2.gz SFZHQXXIEDOOLU-HXUWFJFHSA-N 1 0 393.531 4.066 20 0 GIADRO Cc1cccc2nc(C3CCN(C(=O)NC[C@@H]4CCC[N@@H+](C(C)C)C4)CC3)oc21 ZINC000188538736 823259558 /nfs/dbraw/zinc/25/95/58/823259558.db2.gz BSEQVEYOGMEGKS-SFHVURJKSA-N 1 0 398.551 4.146 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H](Cc2ccccc2)c2ccccc2)CC[N@@H+]1C ZINC000176659032 823260013 /nfs/dbraw/zinc/26/00/13/823260013.db2.gz NFUZYFNDACYINB-PTUXOGIPSA-N 1 0 379.548 4.137 20 0 GIADRO CO[C@H]1C[C@@H]([NH2+]Cc2ncc(-c3ccccc3Br)o2)C12CCC2 ZINC000459750853 823260259 /nfs/dbraw/zinc/26/02/59/823260259.db2.gz HRSCLPGJSABVCA-CVEARBPZSA-N 1 0 377.282 4.151 20 0 GIADRO O=c1[nH]c(CC[NH+](Cc2cccs2)Cc2cccs2)nc2ccccc12 ZINC000121836073 823260304 /nfs/dbraw/zinc/26/03/04/823260304.db2.gz IARMFOFLJDJAHJ-UHFFFAOYSA-N 1 0 381.526 4.291 20 0 GIADRO CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1cscc1C(F)(F)F ZINC000571966944 823262056 /nfs/dbraw/zinc/26/20/56/823262056.db2.gz YHAHITQKEURBAK-ZDUSSCGKSA-N 1 0 377.453 4.109 20 0 GIADRO Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000571966603 823262085 /nfs/dbraw/zinc/26/20/85/823262085.db2.gz RIUIETKSXIWFPC-NSHDSACASA-N 1 0 384.307 4.415 20 0 GIADRO COc1ccc(NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1SC ZINC000459767070 823262176 /nfs/dbraw/zinc/26/21/76/823262176.db2.gz MNDHVYRGCXAQPQ-GOSISDBHSA-N 1 0 385.533 4.155 20 0 GIADRO CC(C)(C)c1ncc(C[NH2+][C@@H]2CCO[C@H]2c2cncc(Br)c2)s1 ZINC000459769451 823262360 /nfs/dbraw/zinc/26/23/60/823262360.db2.gz RGJPKFLVUAXHCW-CABCVRRESA-N 1 0 396.354 4.218 20 0 GIADRO Cc1ccccc1C[C@H](C)[NH2+][C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000459769430 823262404 /nfs/dbraw/zinc/26/24/04/823262404.db2.gz RGHJOHHTUJWQFR-KYNGSXCRSA-N 1 0 375.310 4.203 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)C2(c3ccc(F)cc3)CCOCC2)cc1 ZINC000057192360 823262505 /nfs/dbraw/zinc/26/25/05/823262505.db2.gz GNOCSJSGOYOUBN-UHFFFAOYSA-N 1 0 398.522 4.032 20 0 GIADRO CO[C@H]1C[C@H]([NH2+]Cc2coc(-c3ccc(Br)cc3)n2)C12CCC2 ZINC000459769592 823262532 /nfs/dbraw/zinc/26/25/32/823262532.db2.gz QXNIZCQISHOXCT-HOTGVXAUSA-N 1 0 377.282 4.151 20 0 GIADRO C[C@@H]1CCN(C(=O)NC[C@H]2CCCC(F)(F)C2)CC[N@@H+]1Cc1ccccc1 ZINC000409616002 823262624 /nfs/dbraw/zinc/26/26/24/823262624.db2.gz BTIIPGUXFSRXOB-MJGOQNOKSA-N 1 0 379.495 4.118 20 0 GIADRO CC[C@H](NC(=O)NCc1ccccc1C[NH+]1CCCCCC1)c1ccncc1 ZINC000176670533 823263582 /nfs/dbraw/zinc/26/35/82/823263582.db2.gz RPAXMSKKUKMNHY-QFIPXVFZSA-N 1 0 380.536 4.408 20 0 GIADRO C[C@@H](c1nc2ccccc2s1)N(C)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000057202347 823263841 /nfs/dbraw/zinc/26/38/41/823263841.db2.gz LUWVRWUBLKSPHC-WMZOPIPTSA-N 1 0 396.560 4.172 20 0 GIADRO C[C@H](c1nc2ccccc2s1)N(C)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000057202349 823264199 /nfs/dbraw/zinc/26/41/99/823264199.db2.gz LUWVRWUBLKSPHC-AEFFLSMTSA-N 1 0 396.560 4.172 20 0 GIADRO O=C(C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)N1N=C(c2cccs2)C[C@H]1c1cccs1 ZINC000459782243 823264492 /nfs/dbraw/zinc/26/44/92/823264492.db2.gz OQDJAJYMVHCIMB-DLTWYDFYSA-N 1 0 385.558 4.266 20 0 GIADRO CC1CC[NH+](CCNC(=O)[C@H]2CC=CC[C@@H]2c2nc3ccccc3s2)CC1 ZINC000057213365 823264982 /nfs/dbraw/zinc/26/49/82/823264982.db2.gz LIXBESAMSHECQL-ROUUACIJSA-N 1 0 383.561 4.194 20 0 GIADRO CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+](C)C[C@H](C)C(=O)OC(C)(C)C ZINC000459787749 823264993 /nfs/dbraw/zinc/26/49/93/823264993.db2.gz CVVDDMOEUPZRHR-HOTGVXAUSA-N 1 0 376.541 4.048 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CCCC(F)(F)C2)CC[N@@H+]1Cc1ccccc1 ZINC000409625110 823265066 /nfs/dbraw/zinc/26/50/66/823265066.db2.gz OGRHNGBIZHXBHG-QRQLOZEOSA-N 1 0 379.495 4.164 20 0 GIADRO CCOc1cccc2cc([C@@H](C)NC(=O)Nc3ccc4c(c3)C[NH2+]CC4)oc21 ZINC000572011016 823268918 /nfs/dbraw/zinc/26/89/18/823268918.db2.gz WESKPHKKWFEUKN-CQSZACIVSA-N 1 0 379.460 4.360 20 0 GIADRO Cc1c2cccc(Cl)c2oc1C(=O)NCCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000176690540 823269028 /nfs/dbraw/zinc/26/90/28/823269028.db2.gz MHJFMYFLCPLJOS-KBPBESRZSA-N 1 0 378.900 4.014 20 0 GIADRO Cc1ccc(C[C@H]([NH2+][C@H](C)Cn2cc(Br)cn2)c2ccccn2)cc1 ZINC000121880098 823269291 /nfs/dbraw/zinc/26/92/91/823269291.db2.gz RWUFBZODDUPUCX-UZLBHIALSA-N 1 0 399.336 4.311 20 0 GIADRO O=C1CCCN1Cc1ccccc1C[NH2+][C@H]1CCCOc2cc3c(cc21)CCC3 ZINC000121880381 823269300 /nfs/dbraw/zinc/26/93/00/823269300.db2.gz OZBZIENVJMNKEU-QHCPKHFHSA-N 1 0 390.527 4.301 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1NC(C)=O ZINC000121881888 823269545 /nfs/dbraw/zinc/26/95/45/823269545.db2.gz ASKVYNCIUOFPJS-CABCVRRESA-N 1 0 395.503 4.414 20 0 GIADRO COc1cccc2c1CC[C@H]2[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000121887048 823270373 /nfs/dbraw/zinc/27/03/73/823270373.db2.gz IAKVJUZEGKHKKG-HXUWFJFHSA-N 1 0 384.907 4.230 20 0 GIADRO CC[NH+]1CCN(Cc2ccc(NC(=O)[C@@H]3CCCC[C@H]3C(F)(F)F)cc2)CC1 ZINC000057250084 823270919 /nfs/dbraw/zinc/27/09/19/823270919.db2.gz HAVPIAPQSMTROT-RTBURBONSA-N 1 0 397.485 4.131 20 0 GIADRO C[C@H]([NH2+]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1)c1ncc(Br)s1 ZINC000188606039 823271291 /nfs/dbraw/zinc/27/12/91/823271291.db2.gz CJYOOSYWLVUFJZ-HOTUBEGUSA-N 1 0 387.265 4.040 20 0 GIADRO C[C@@H]1C[N@@H+](CCCCNC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2Cl)C[C@H](C)O1 ZINC000176703198 823271841 /nfs/dbraw/zinc/27/18/41/823271841.db2.gz KFDJUGVJCJWUMD-YALNPMBYSA-N 1 0 399.362 4.103 20 0 GIADRO O=C(Nc1ccc(OC2CCCC2)c(Cl)c1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000409647114 823272960 /nfs/dbraw/zinc/27/29/60/823272960.db2.gz YSXNWKBYIRRAEB-ZWKOTPCHSA-N 1 0 377.916 4.410 20 0 GIADRO Cc1ccc(-c2noc([C@H](C)[NH2+]CCCOc3ccc4c(c3)OCO4)n2)cc1F ZINC000572047418 823273992 /nfs/dbraw/zinc/27/39/92/823273992.db2.gz GIJUKTPEVQFMAZ-AWEZNQCLSA-N 1 0 399.422 4.033 20 0 GIADRO O=C(CC1CC(c2ccccc2)C1)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000409650222 823274096 /nfs/dbraw/zinc/27/40/96/823274096.db2.gz BTVPZZRCJNPQOK-YNEXMFEJSA-N 1 0 376.544 4.251 20 0 GIADRO O=C(COc1ccccc1-c1ccccc1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000005704741 817611039 /nfs/dbraw/zinc/61/10/39/817611039.db2.gz NDGXBPUEXCATOB-NRFANRHFSA-N 1 0 390.483 4.279 20 0 GIADRO COC(=O)c1ccc(C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)cc1F ZINC000121929495 823278908 /nfs/dbraw/zinc/27/89/08/823278908.db2.gz KUBFYBJADPFYMF-LPHOPBHVSA-N 1 0 375.440 4.074 20 0 GIADRO CO[C@@H](C)c1nc(C)c(C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)s1 ZINC000176731120 823279744 /nfs/dbraw/zinc/27/97/44/823279744.db2.gz OWDHLQOGEGWBJZ-HOTGVXAUSA-N 1 0 387.549 4.114 20 0 GIADRO COc1cccc2c1CC[C@H]2[NH2+][C@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000121910525 823275277 /nfs/dbraw/zinc/27/52/77/823275277.db2.gz OXKBGLBIXLWIDE-IIBYNOLFSA-N 1 0 377.488 4.346 20 0 GIADRO CCOc1cc(C[NH2+][C@@H]2CCC[C@H](N3CCCC3=O)C2)ccc1OCC(C)C ZINC000572060366 823275923 /nfs/dbraw/zinc/27/59/23/823275923.db2.gz OUVUUTHZRKEOKW-UXHICEINSA-N 1 0 388.552 4.143 20 0 GIADRO COc1c(Cl)cccc1NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000572082185 823280029 /nfs/dbraw/zinc/28/00/29/823280029.db2.gz YTWGQOXYWJCLAW-ZWKOTPCHSA-N 1 0 399.922 4.334 20 0 GIADRO O[C@]1(C[NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)CCC[C@H](C(F)(F)F)C1 ZINC000188627664 823276051 /nfs/dbraw/zinc/27/60/51/823276051.db2.gz OECGWEOVDHKDAX-ZYSHUDEJSA-N 1 0 382.401 4.383 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)c2cc(F)c(Cl)nc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000176720722 823276865 /nfs/dbraw/zinc/27/68/65/823276865.db2.gz PWPUTPPQYNMOIV-OCCSQVGLSA-N 1 0 396.293 4.310 20 0 GIADRO COc1ccc([C@@H](CNC(=S)Nc2ccc(C)c(C)c2)[NH+]2CCCC2)cc1 ZINC000006336001 817678335 /nfs/dbraw/zinc/67/83/35/817678335.db2.gz JESANFGABWACIK-OAQYLSRUSA-N 1 0 383.561 4.436 20 0 GIADRO COc1ccc([C@@H]([NH2+]CCC(=O)N2CCCCC2)C(C)C)c(Br)c1 ZINC000572083765 823280628 /nfs/dbraw/zinc/28/06/28/823280628.db2.gz TWCQUHZOTCPUQU-IBGZPJMESA-N 1 0 397.357 4.147 20 0 GIADRO C[C@H](C(=O)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21)[C@@H]1OCCc2sccc21 ZINC000460027311 823280849 /nfs/dbraw/zinc/28/08/49/823280849.db2.gz QAVNCCJTXDJEHT-WJPUGNRLSA-N 1 0 382.529 4.009 20 0 GIADRO CC(=O)CCc1ccc2oc(C(=O)N[C@H](CCC[NH3+])c3ccccc3)c(C)c2c1 ZINC000572112801 823285416 /nfs/dbraw/zinc/28/54/16/823285416.db2.gz BXIZRXXZWIKHMM-OAQYLSRUSA-N 1 0 392.499 4.473 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)N1CC2(CCC2)[C@H]1C1CC1)[NH+]1CCCCC1 ZINC000460107926 823285953 /nfs/dbraw/zinc/28/59/53/823285953.db2.gz MHDSZVHPTJKZEX-IFMALSPDSA-N 1 0 397.563 4.196 20 0 GIADRO Cc1c(Br)cccc1C[NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000572090100 823281908 /nfs/dbraw/zinc/28/19/08/823281908.db2.gz SQEDUFGAFVHBGD-QRWLVFNGSA-N 1 0 388.353 4.153 20 0 GIADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(C)(C)Cc2nc3ccccc3[nH]2)C1 ZINC000409684704 823282512 /nfs/dbraw/zinc/28/25/12/823282512.db2.gz JBRITNLIMZIKOK-KRWDZBQOSA-N 1 0 384.568 4.148 20 0 GIADRO CN(C)C(=O)c1ccc(C[NH2+][C@H](Cc2ccc(Cl)cc2)c2ccccc2)[nH]1 ZINC000176741399 823282564 /nfs/dbraw/zinc/28/25/64/823282564.db2.gz DAQYNLCOPQBJJN-OAQYLSRUSA-N 1 0 381.907 4.444 20 0 GIADRO C[C@H](c1ccccc1Cl)N(C)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000121950521 823283728 /nfs/dbraw/zinc/28/37/28/823283728.db2.gz CHSSCGSCSVTXQT-MRXNPFEDSA-N 1 0 389.927 4.183 20 0 GIADRO Cc1ccc(C)c(C(=O)CCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000057382586 823285790 /nfs/dbraw/zinc/28/57/90/823285790.db2.gz QJCOYXNKVAQWRU-UHFFFAOYSA-N 1 0 378.516 4.047 20 0 GIADRO CC[NH+]1CCC(N(C(=O)c2ccc(NC(=O)c3cccs3)cc2)C2CC2)CC1 ZINC000057371246 823283825 /nfs/dbraw/zinc/28/38/25/823283825.db2.gz CUNBNFVGEUWTGB-UHFFFAOYSA-N 1 0 397.544 4.089 20 0 GIADRO CCc1ccc([C@H](CNC(=O)C2(c3ccccc3C)CCOCC2)[NH+](C)C)cc1 ZINC000057383184 823285840 /nfs/dbraw/zinc/28/58/40/823285840.db2.gz HXNLLNSRUVLGET-QHCPKHFHSA-N 1 0 394.559 4.025 20 0 GIADRO O=C(NCc1cccc(OCc2ccccc2)c1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000572107139 823284282 /nfs/dbraw/zinc/28/42/82/823284282.db2.gz RHOPRQKAWLLATM-JOCHJYFZSA-N 1 0 393.531 4.035 20 0 GIADRO C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000188676287 823284568 /nfs/dbraw/zinc/28/45/68/823284568.db2.gz AGQNHGBPANHABN-OAHLLOKOSA-N 1 0 386.458 4.053 20 0 GIADRO [NH3+][C@H]1CCC[C@@H](CNC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)C1 ZINC000572119910 823285902 /nfs/dbraw/zinc/28/59/02/823285902.db2.gz BUBYPAKGNXFEPH-ZBFHGGJFSA-N 1 0 381.501 4.317 20 0 GIADRO C[NH+](C)Cc1ccccc1CNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000007065692 817751403 /nfs/dbraw/zinc/75/14/03/817751403.db2.gz JLXWVOXKOJCJBE-UHFFFAOYSA-N 1 0 383.492 4.025 20 0 GIADRO CCS(=O)(=O)c1ccc(N2CCC([NH2+][C@H]3CCc4ccc(C)cc43)CC2)cc1 ZINC000122002755 823291344 /nfs/dbraw/zinc/29/13/44/823291344.db2.gz JUGDZCBSJWIEGW-QHCPKHFHSA-N 1 0 398.572 4.035 20 0 GIADRO O=C(Nc1cccc2c1CCCC2)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000409706511 823287203 /nfs/dbraw/zinc/28/72/03/823287203.db2.gz LUIHIFRULPDAST-UHFFFAOYSA-N 1 0 381.495 4.491 20 0 GIADRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]Cc3ccc(C(=O)N(C)C)[nH]3)s2)cc1 ZINC000176767850 823288074 /nfs/dbraw/zinc/28/80/74/823288074.db2.gz KJUGLTPSUDHYCH-CYBMUJFWSA-N 1 0 398.532 4.008 20 0 GIADRO CSc1ccc(CNC(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000460121296 823288463 /nfs/dbraw/zinc/28/84/63/823288463.db2.gz OCFWHOWPDPUPRG-NHCUHLMSSA-N 1 0 395.572 4.072 20 0 GIADRO CC(C)c1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)Cc1ccc(F)cc1Br ZINC000572157845 823291630 /nfs/dbraw/zinc/29/16/30/823291630.db2.gz NULNBHDYOZYCQJ-BLLLJJGKSA-N 1 0 395.320 4.359 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+]Cc2cc(=O)oc3cc(O)ccc23)cc1OCC ZINC000007266821 817807808 /nfs/dbraw/zinc/80/78/08/817807808.db2.gz GJTVJGXFUBOAFB-AWEZNQCLSA-N 1 0 383.444 4.147 20 0 GIADRO CCC[C@@H](C)[C@H](CC)[NH2+]C1CCN(c2ccc(S(=O)(=O)CC)cc2)CC1 ZINC000121995135 823290423 /nfs/dbraw/zinc/29/04/23/823290423.db2.gz QBLZQDXSEZDJMU-UTKZUKDTSA-N 1 0 380.598 4.253 20 0 GIADRO CN(C)C(=O)N1CCC([NH2+]CC2(c3cccc(Cl)c3F)CCCC2)CC1 ZINC000188711071 823290496 /nfs/dbraw/zinc/29/04/96/823290496.db2.gz UJGXJOMSRVWHNR-UHFFFAOYSA-N 1 0 381.923 4.027 20 0 GIADRO O=C(Nc1ccc2c(c1F)CC[NH2+]C2)C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000572149065 823290757 /nfs/dbraw/zinc/29/07/57/823290757.db2.gz QKSMUZNGSYDSLY-UHFFFAOYSA-N 1 0 378.369 4.161 20 0 GIADRO CC[NH+](CC)CCN(Cc1cccs1)C(=S)Nc1cccc(OC)c1 ZINC000007368278 817825088 /nfs/dbraw/zinc/82/50/88/817825088.db2.gz BSAJXLFQWVAZAN-UHFFFAOYSA-N 1 0 377.579 4.298 20 0 GIADRO Cc1nc(CC(C)C)oc1C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000188712048 823290841 /nfs/dbraw/zinc/29/08/41/823290841.db2.gz QQRAUWXVRXNITK-UHFFFAOYSA-N 1 0 387.549 4.025 20 0 GIADRO C[NH+](C)CC1(C(=O)NCc2csc(CCc3ccccc3)n2)CCCCC1 ZINC000460134150 823291953 /nfs/dbraw/zinc/29/19/53/823291953.db2.gz MTVRMTWBDNDOHB-UHFFFAOYSA-N 1 0 385.577 4.057 20 0 GIADRO O=C(NCc1ccc2c(c1)C[NH2+]C2)C1(c2cccc(Br)c2)CCCC1 ZINC000188717602 823292339 /nfs/dbraw/zinc/29/23/39/823292339.db2.gz DYBQUWDPFHOVQL-UHFFFAOYSA-N 1 0 399.332 4.181 20 0 GIADRO O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)c1cncc(C(F)(F)F)c1 ZINC000572160951 823292341 /nfs/dbraw/zinc/29/23/41/823292341.db2.gz QGEGBZCMAAUVAZ-UHFFFAOYSA-N 1 0 393.409 4.217 20 0 GIADRO CN(C)c1ncccc1N(C)C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000176788254 823292977 /nfs/dbraw/zinc/29/29/77/823292977.db2.gz HWPCGHJKDSNTMF-UHFFFAOYSA-N 1 0 388.515 4.056 20 0 GIADRO CCCOc1ccc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)cc1OCC ZINC000572167130 823293256 /nfs/dbraw/zinc/29/32/56/823293256.db2.gz QZIGAMATZBNMPK-GOSISDBHSA-N 1 0 375.431 4.153 20 0 GIADRO CC[NH+]1CCC(NC(=O)N2CC[C@H](C)[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000122013473 823293229 /nfs/dbraw/zinc/29/32/29/823293229.db2.gz VGWNMPSSNWJLET-KBXCAEBGSA-N 1 0 383.458 4.282 20 0 GIADRO Cc1ccc(OCC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1C ZINC000007492097 817854276 /nfs/dbraw/zinc/85/42/76/817854276.db2.gz NCRKCSSRDCVTGA-UHFFFAOYSA-N 1 0 386.923 4.116 20 0 GIADRO C[C@H]([NH2+]CCC(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccccc1Cl ZINC000007499921 817856251 /nfs/dbraw/zinc/85/62/51/817856251.db2.gz NDIKCVWAOZZXBY-HNNXBMFYSA-N 1 0 385.895 4.146 20 0 GIADRO COC(=O)Cc1cccc(C(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)c1 ZINC000188726722 823293879 /nfs/dbraw/zinc/29/38/79/823293879.db2.gz DLVCBQPHJCQSHX-UHFFFAOYSA-N 1 0 380.488 4.030 20 0 GIADRO CN(C)C(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000007554731 817868468 /nfs/dbraw/zinc/86/84/68/817868468.db2.gz FVYZISKSBLQFPD-PXNSSMCTSA-N 1 0 379.529 4.305 20 0 GIADRO CCOc1ccc(NC(=S)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000007558283 817868922 /nfs/dbraw/zinc/86/89/22/817868922.db2.gz RMJFJPQSRJOOMR-QGZVFWFLSA-N 1 0 375.563 4.270 20 0 GIADRO CCS(=O)(=O)c1ccc(N2CCC([NH2+][C@@H](C)c3ccc(C)cc3)CC2)cc1 ZINC000122021604 823294477 /nfs/dbraw/zinc/29/44/77/823294477.db2.gz NIKZYHHATUWRBM-SFHVURJKSA-N 1 0 386.561 4.108 20 0 GIADRO CC(=O)c1ccccc1NC(=O)CCC[NH+]1CCC(OCc2ccccc2)CC1 ZINC000572175164 823294841 /nfs/dbraw/zinc/29/48/41/823294841.db2.gz AUMWENKXBUDOGQ-UHFFFAOYSA-N 1 0 394.515 4.289 20 0 GIADRO CCN(C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)[C@@H]1CCOC(C)(C)C1 ZINC000460140240 823294890 /nfs/dbraw/zinc/29/48/90/823294890.db2.gz ASRZZCHCGLSSBJ-NHCUHLMSSA-N 1 0 387.568 4.030 20 0 GIADRO CCN(C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)[C@@H]1CCOC(C)(C)C1 ZINC000460140241 823294904 /nfs/dbraw/zinc/29/49/04/823294904.db2.gz ASRZZCHCGLSSBJ-RTWAWAEBSA-N 1 0 387.568 4.030 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(Br)o1)c1cc(Br)ccc1O ZINC000188731130 823294953 /nfs/dbraw/zinc/29/49/53/823294953.db2.gz NIIIVDBKWWWTOQ-QMMMGPOBSA-N 1 0 375.060 4.361 20 0 GIADRO O=C(C(Cc1ccccc1)Cc1ccccc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000409737289 823295349 /nfs/dbraw/zinc/29/53/49/823295349.db2.gz QENQKMIVNKECRZ-HSZRJFAPSA-N 1 0 376.544 4.032 20 0 GIADRO COc1ccc([C@H](CNC(=S)Nc2ccc(Cl)cc2)[NH+]2CCCC2)cc1 ZINC000007662658 817890679 /nfs/dbraw/zinc/89/06/79/817890679.db2.gz JDCTVHLOOSSXCD-IBGZPJMESA-N 1 0 389.952 4.472 20 0 GIADRO C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000572184112 823296228 /nfs/dbraw/zinc/29/62/28/823296228.db2.gz NHQGPDVRBOQRGG-AUSIDOKSSA-N 1 0 378.516 4.275 20 0 GIADRO C[C@H](NC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21)c1ccc(Oc2cccnc2)cc1 ZINC000572196012 823297925 /nfs/dbraw/zinc/29/79/25/823297925.db2.gz FCYPFCWSVBNHQH-LQBOVUBWSA-N 1 0 394.519 4.061 20 0 GIADRO COCCn1cc(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)c2ccccc21 ZINC000057433930 823296571 /nfs/dbraw/zinc/29/65/71/823296571.db2.gz OZTGVKKAHMAJOM-UHFFFAOYSA-N 1 0 393.531 4.058 20 0 GIADRO Cc1oc(-c2ccccc2)c(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1C ZINC000188745671 823296819 /nfs/dbraw/zinc/29/68/19/823296819.db2.gz DORUDCGZZPTOLE-LEWJYISDSA-N 1 0 396.531 4.061 20 0 GIADRO C[C@@H]([NH2+]CC1(c2ccc(Cl)cc2)CCOCC1)c1ccccc1-n1ccnn1 ZINC000572191356 823297360 /nfs/dbraw/zinc/29/73/60/823297360.db2.gz PWTKGNNNDSHVLI-QGZVFWFLSA-N 1 0 396.922 4.320 20 0 GIADRO CC(C)[C@H](NC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1)c1ccc(F)cc1 ZINC000409762925 823301531 /nfs/dbraw/zinc/30/15/31/823301531.db2.gz FXWKQKRKARCPQY-VGSWGCGISA-N 1 0 398.526 4.443 20 0 GIADRO CCCC[C@H](C)N(C)C(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000460164062 823302740 /nfs/dbraw/zinc/30/27/40/823302740.db2.gz CIFNZPLGMNHEPV-IPMKNSEASA-N 1 0 375.557 4.016 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)CSc1ccc2c(c1)CCC2 ZINC000007946601 817967043 /nfs/dbraw/zinc/96/70/43/817967043.db2.gz JNNWHBSQCLEMAH-UHFFFAOYSA-N 1 0 382.573 4.426 20 0 GIADRO CCN(CC)C(=O)c1ccc(NC(=O)C[NH2+][C@H](c2ccccc2)C(C)C)cc1 ZINC000008003168 817979332 /nfs/dbraw/zinc/97/93/32/817979332.db2.gz ARWATZLEGQMSJL-QFIPXVFZSA-N 1 0 381.520 4.094 20 0 GIADRO CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000188801310 823308510 /nfs/dbraw/zinc/30/85/10/823308510.db2.gz VXSMUNKSIFVTPQ-KDOFPFPSSA-N 1 0 392.341 4.009 20 0 GIADRO Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cn2)c1C ZINC000572258696 823308604 /nfs/dbraw/zinc/30/86/04/823308604.db2.gz XTSDWWGNYVRADT-OALUTQOASA-N 1 0 394.519 4.344 20 0 GIADRO C[NH+](C)CCc1ccc(C(=O)NCc2cc(F)c(C(F)(F)F)cc2F)cc1 ZINC000572255568 823308619 /nfs/dbraw/zinc/30/86/19/823308619.db2.gz OAUNXAQBFWCVMA-UHFFFAOYSA-N 1 0 386.364 4.018 20 0 GIADRO CCN(CC)C(=O)c1ccc(NC(=O)C[N@H+](C)[C@@H]2CCCc3ccccc32)cc1 ZINC000008126371 818004451 /nfs/dbraw/zinc/00/44/51/818004451.db2.gz YLKAFQOUDWYUJX-JOCHJYFZSA-N 1 0 393.531 4.117 20 0 GIADRO O=C(CC(Cc1ccccc1)Cc1ccccc1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000572235435 823305675 /nfs/dbraw/zinc/30/56/75/823305675.db2.gz YNYFPGNBMQCMJE-RUZDIDTESA-N 1 0 376.544 4.080 20 0 GIADRO Cc1nn(-c2ccccc2)c2sc(C(=O)NCCC[NH+]3CCCCC3)cc12 ZINC000008278785 818028485 /nfs/dbraw/zinc/02/84/85/818028485.db2.gz AFWFXNUBQKSOPN-UHFFFAOYSA-N 1 0 382.533 4.001 20 0 GIADRO CCn1c(N2CCC[C@H]([NH+]3CCCC3)CC2)nnc1C(C)(C)c1ccccc1 ZINC000460175886 823306395 /nfs/dbraw/zinc/30/63/95/823306395.db2.gz JCUDCVWAIWPIPP-FQEVSTJZSA-N 1 0 381.568 4.079 20 0 GIADRO CC[C@@H](c1nnc(N2CCC[C@H]([NH+]3CCCC3)CC2)n1CC)c1ccccc1 ZINC000460178418 823306812 /nfs/dbraw/zinc/30/68/12/823306812.db2.gz OSERBEJVVSUSHN-LEWJYISDSA-N 1 0 381.568 4.295 20 0 GIADRO C[N@H+](Cc1ccc(C(=O)Nc2ccccc2)cc1)Cc1ccc2c(c1)OCCO2 ZINC000011011234 818043957 /nfs/dbraw/zinc/04/39/57/818043957.db2.gz BHIZZGMZROCEPH-UHFFFAOYSA-N 1 0 388.467 4.342 20 0 GIADRO O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)c1cc2c(s1)CCC2 ZINC000176849221 823309111 /nfs/dbraw/zinc/30/91/11/823309111.db2.gz PASMKRDTNDAFES-UHFFFAOYSA-N 1 0 398.572 4.038 20 0 GIADRO CCn1c(CSc2ccc(C)cc2)nnc1N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000460185113 823309240 /nfs/dbraw/zinc/30/92/40/823309240.db2.gz RWPFARIWSRFAAO-MSOLQXFVSA-N 1 0 387.597 4.208 20 0 GIADRO CC[C@H](NC(=O)NC[C@@H](c1ccsc1)[NH+](CC)CC)c1c(C)noc1C ZINC000122121958 823309329 /nfs/dbraw/zinc/30/93/29/823309329.db2.gz DOTVUCPCGFYNNM-IRXDYDNUSA-N 1 0 378.542 4.186 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)N(CCC(F)(F)F)CC2CC2)CC1 ZINC000176853998 823310445 /nfs/dbraw/zinc/31/04/45/823310445.db2.gz PQSDLAPBNUGZQE-UHFFFAOYSA-N 1 0 398.473 4.025 20 0 GIADRO CCn1c(CSc2ccc(C)cc2)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000460190939 823311165 /nfs/dbraw/zinc/31/11/65/823311165.db2.gz HCTDQZVQNWVXJL-HKUYNNGSSA-N 1 0 387.597 4.065 20 0 GIADRO O=C(Cn1ccc2ccc(Cl)cc21)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000409802679 823311415 /nfs/dbraw/zinc/31/14/15/823311415.db2.gz VWNNEUNNMWCAOK-UHFFFAOYSA-N 1 0 395.934 4.118 20 0 GIADRO O[C@H](C[NH2+]Cc1csc(-c2ccccc2)n1)COCc1ccccc1Cl ZINC000572274867 823311663 /nfs/dbraw/zinc/31/16/63/823311663.db2.gz QANQTFYLIWNEHS-GOSISDBHSA-N 1 0 388.920 4.131 20 0 GIADRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1ccc(F)c(F)c1F ZINC000176858512 823311720 /nfs/dbraw/zinc/31/17/20/823311720.db2.gz GZSFJCRDTIXIEM-UHFFFAOYSA-N 1 0 380.435 4.213 20 0 GIADRO COc1cc(CN(C)C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)ccc1SC ZINC000057613283 823314961 /nfs/dbraw/zinc/31/49/61/823314961.db2.gz MMBZTQUGROKDFK-KRWDZBQOSA-N 1 0 393.597 4.071 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)N[C@H]1CCSc2c(F)cccc21 ZINC000011760730 818117264 /nfs/dbraw/zinc/11/72/64/818117264.db2.gz PEYCZCMALCJAIL-FQEVSTJZSA-N 1 0 399.535 4.326 20 0 GIADRO COc1ccc2c(CC(=O)N3c4ccc(C)cc4[C@H]4C[N@@H+](C)CC[C@@H]43)coc2c1 ZINC000011760235 818117323 /nfs/dbraw/zinc/11/73/23/818117323.db2.gz DTNPXCXXBGBLFW-IRLDBZIGSA-N 1 0 390.483 4.127 20 0 GIADRO O=C(CCc1c2ccccc2[nH]c1-c1ccc(F)cc1)N1CC[NH+]2CCC1CC2 ZINC000188822212 823313357 /nfs/dbraw/zinc/31/33/57/823313357.db2.gz AFASGDSHJXDXEM-UHFFFAOYSA-N 1 0 391.490 4.213 20 0 GIADRO COc1ccc2cc(CNC(=O)N(CC[NH+](C)C)Cc3cccs3)ccc2c1 ZINC000176868557 823313702 /nfs/dbraw/zinc/31/37/02/823313702.db2.gz SWOJUXCTIOBGFN-UHFFFAOYSA-N 1 0 397.544 4.183 20 0 GIADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(Cc3ccccc3)Cc3ccccc3)CC[C@@H]21 ZINC000409813077 823314383 /nfs/dbraw/zinc/31/43/83/823314383.db2.gz RYURTBGFNVLZCE-VWNXMTODSA-N 1 0 376.544 4.031 20 0 GIADRO Cc1cc(C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c(C)n1Cc1ccccn1 ZINC000122167755 823315895 /nfs/dbraw/zinc/31/58/95/823315895.db2.gz YWTCFBMUJLVGOJ-RTBURBONSA-N 1 0 396.579 4.036 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)c2cccnc2C(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000188848976 823317066 /nfs/dbraw/zinc/31/70/66/823317066.db2.gz FZZVAYVYQTYIPI-WBVHZDCISA-N 1 0 391.437 4.226 20 0 GIADRO COc1ccccc1C[C@H](C)CC(=O)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000409827546 823318389 /nfs/dbraw/zinc/31/83/89/823318389.db2.gz SJRVRETVHHAICC-RXVVDRJESA-N 1 0 378.516 4.275 20 0 GIADRO Cc1ccccc1C1(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CCCCC1 ZINC000122188187 823318843 /nfs/dbraw/zinc/31/88/43/823318843.db2.gz WIWGYUAQENVGDT-DHIUTWEWSA-N 1 0 398.591 4.081 20 0 GIADRO CCOC(=O)c1c(-c2cccs2)csc1NC(=O)CC[NH+]1CCCC1 ZINC000013047703 818201179 /nfs/dbraw/zinc/20/11/79/818201179.db2.gz BGDKATULTGCVPJ-UHFFFAOYSA-N 1 0 378.519 4.078 20 0 GIADRO O=C(Cc1ccccc1C(F)(F)F)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000013779907 818215439 /nfs/dbraw/zinc/21/54/39/818215439.db2.gz AGVKHFDPCQYGEZ-UHFFFAOYSA-N 1 0 376.422 4.029 20 0 GIADRO CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000460218065 823321014 /nfs/dbraw/zinc/32/10/14/823321014.db2.gz BKJMRXNJTBTKQE-RHSMWYFYSA-N 1 0 393.457 4.047 20 0 GIADRO COc1ccc([C@@H](C[NH2+]Cc2ccc(Cl)c(Cl)c2)N2CCOCC2)cc1 ZINC000057681597 823321049 /nfs/dbraw/zinc/32/10/49/823321049.db2.gz VPICLRLYSUBJMK-HXUWFJFHSA-N 1 0 395.330 4.165 20 0 GIADRO COc1ccc(CC[NH2+]Cc2c(-c3ccccc3)nc3sccn23)cc1OC ZINC000014206873 818227403 /nfs/dbraw/zinc/22/74/03/818227403.db2.gz RQWKWOYNQYYZMA-UHFFFAOYSA-N 1 0 393.512 4.412 20 0 GIADRO COc1ccc(C(=O)Nc2cccc(CN3C[C@H]([NH+]4CCCC4)C[C@H]3C)c2)cc1 ZINC000572352038 823326212 /nfs/dbraw/zinc/32/62/12/823326212.db2.gz PDJCAYUDGLEMPP-XMSQKQJNSA-N 1 0 393.531 4.006 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)COc1ccc(Oc2ccccc2)cc1)c1cccs1 ZINC000014395466 818241456 /nfs/dbraw/zinc/24/14/56/818241456.db2.gz HROZYADEYVINBB-HXUWFJFHSA-N 1 0 396.512 4.338 20 0 GIADRO CC1CC[NH+](C[C@@H]2CCCN(Cc3ccc(SC(=O)N(C)C)cc3)C2)CC1 ZINC000176928653 823326314 /nfs/dbraw/zinc/32/63/14/823326314.db2.gz RWDLPCVJVXMHPV-FQEVSTJZSA-N 1 0 389.609 4.404 20 0 GIADRO C[NH+](C)Cc1ccnc(NC(=O)c2cccc(COc3cccc(F)c3)c2)c1 ZINC000176928526 823326375 /nfs/dbraw/zinc/32/63/75/823326375.db2.gz SJOOLOCYQHFWJE-UHFFFAOYSA-N 1 0 379.435 4.114 20 0 GIADRO COCCOc1ccc(C[NH2+][C@H](Cc2cccnc2)c2cccc(Cl)c2)cn1 ZINC000572338176 823323992 /nfs/dbraw/zinc/32/39/92/823323992.db2.gz XWDCQXDGBPUYRK-OAQYLSRUSA-N 1 0 397.906 4.229 20 0 GIADRO C[C@H](CNC(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1)[N@H+](C)C1CC1 ZINC000057711676 823324003 /nfs/dbraw/zinc/32/40/03/823324003.db2.gz PGZNCSOPPNWIRV-OAHLLOKOSA-N 1 0 393.462 4.360 20 0 GIADRO O=C(CC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O)Nc1c(Cl)cccc1Cl ZINC000572353766 823326415 /nfs/dbraw/zinc/32/64/15/823326415.db2.gz MXEXVLUAPMCAOT-XKQJLSEDSA-N 1 0 385.335 4.338 20 0 GIADRO C[C@@H](CNC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)[N@H+](C)C1CC1 ZINC000057713216 823324242 /nfs/dbraw/zinc/32/42/42/823324242.db2.gz WUNYXLVYZMCGIR-LBPRGKRZSA-N 1 0 396.318 4.180 20 0 GIADRO Cc1cc2cccnc2c(NC(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c1 ZINC000572344967 823324988 /nfs/dbraw/zinc/32/49/88/823324988.db2.gz HHJJGMRJOUKBDA-AZUAARDMSA-N 1 0 392.478 4.197 20 0 GIADRO CCN(C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1)[C@@H]1CCOC(C)(C)C1 ZINC000460233902 823326000 /nfs/dbraw/zinc/32/60/00/823326000.db2.gz DOCQZTXUYRPZNB-IEBWSBKVSA-N 1 0 375.557 4.105 20 0 GIADRO O=C(CC[N@@H+]1CC[C@@H](c2cccnc2)C1)N[C@@H](c1cccs1)c1ccccc1 ZINC000572360101 823327199 /nfs/dbraw/zinc/32/71/99/823327199.db2.gz GJLZDKHDKIAQTP-NFBKMPQASA-N 1 0 391.540 4.228 20 0 GIADRO Cc1ccc(NC(=S)C(C(=O)c2ccccc2)[n+]2ccc(N(C)C)cc2)cc1 ZINC000015244889 818302398 /nfs/dbraw/zinc/30/23/98/818302398.db2.gz JFBMMLBWCJRNTB-UHFFFAOYSA-O 1 0 390.532 4.399 20 0 GIADRO Cn1c2ccc(CNC(=O)CC[C@H]([NH3+])CC3CCCCC3)cc2nc1C1CC1 ZINC000572361464 823327490 /nfs/dbraw/zinc/32/74/90/823327490.db2.gz NJSXPMROQSVCMH-IBGZPJMESA-N 1 0 382.552 4.145 20 0 GIADRO Cc1cc(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)ccc1-c1ccccc1 ZINC000460240818 823328210 /nfs/dbraw/zinc/32/82/10/823328210.db2.gz ULDSILSWDQBCMA-NRFANRHFSA-N 1 0 381.520 4.237 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNS(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000015359522 818316953 /nfs/dbraw/zinc/31/69/53/818316953.db2.gz LBNBMCHTOGUSJY-UHFFFAOYSA-N 1 0 382.529 4.160 20 0 GIADRO COc1ccc(NC(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1F ZINC000057752906 823328730 /nfs/dbraw/zinc/32/87/30/823328730.db2.gz YIMRFBQHZQEFMF-MRXNPFEDSA-N 1 0 385.483 4.388 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1C(=O)c1ccccc1 ZINC000015425553 818325018 /nfs/dbraw/zinc/32/50/18/818325018.db2.gz FBEBKABTUSTNIB-UHFFFAOYSA-N 1 0 398.506 4.312 20 0 GIADRO CC[NH+]1CCC(CNC(=O)[C@@H](Cc2c(C)cc(C)cc2C)C(F)(F)F)CC1 ZINC000572382721 823330178 /nfs/dbraw/zinc/33/01/78/823330178.db2.gz CBCUSUNKXXIOES-LJQANCHMSA-N 1 0 384.486 4.181 20 0 GIADRO FC(F)(F)Cn1ccnc1C[NH2+][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000188934844 823330456 /nfs/dbraw/zinc/33/04/56/823330456.db2.gz LLOJXLIMWUXEIF-GFCCVEGCSA-N 1 0 393.240 4.121 20 0 GIADRO Fc1cccnc1N1CC[C@@H]([NH2+][C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)C1 ZINC000572385167 823330563 /nfs/dbraw/zinc/33/05/63/823330563.db2.gz ULFQOABWIVWANP-CRAIPNDOSA-N 1 0 395.400 4.439 20 0 GIADRO COc1ccccc1SC[C@H](C)C[NH2+]Cc1cn(-c2ccccc2C)nn1 ZINC000572387275 823330884 /nfs/dbraw/zinc/33/08/84/823330884.db2.gz SQDCQKZYFQOHFN-MRXNPFEDSA-N 1 0 382.533 4.102 20 0 GIADRO Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@@H](CC(=O)N(C)C)c1ccccc1 ZINC000572390052 823331647 /nfs/dbraw/zinc/33/16/47/823331647.db2.gz VRUSGFVBIBHTQG-NRFANRHFSA-N 1 0 396.922 4.143 20 0 GIADRO Cc1cc(C)n(-c2ccc(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCCC3)cc2)n1 ZINC000015988728 818381491 /nfs/dbraw/zinc/38/14/91/818381491.db2.gz WDOLBTHHEHPIJJ-NRFANRHFSA-N 1 0 392.503 4.039 20 0 GIADRO Cc1cc(NC(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)ccc1-c1ccccc1 ZINC000460261448 823333776 /nfs/dbraw/zinc/33/37/76/823333776.db2.gz YCWYHWBMHLOFTA-IBGZPJMESA-N 1 0 395.547 4.219 20 0 GIADRO CSc1ccccc1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000409879426 823334116 /nfs/dbraw/zinc/33/41/16/823334116.db2.gz QMXCIKUKMJULTH-CABCVRRESA-N 1 0 386.517 4.248 20 0 GIADRO C[NH+](C)[C@@H](CNC(=S)Nc1ccc(OC(F)F)cc1)c1cccc(F)c1 ZINC000016242566 818409587 /nfs/dbraw/zinc/40/95/87/818409587.db2.gz AMUNRYCMPNCBTJ-INIZCTEOSA-N 1 0 383.439 4.016 20 0 GIADRO CCOc1c(Cl)cc(C[NH2+]C[C@]2(CO)C[C@H]2c2ccccc2)cc1OC ZINC000572412883 823335019 /nfs/dbraw/zinc/33/50/19/823335019.db2.gz BLBGBFAUWLYFBA-UWJYYQICSA-N 1 0 375.896 4.003 20 0 GIADRO Cc1ccc(C[C@H](CO)[NH2+]Cc2csc(COc3ccc(C)cc3)n2)cc1 ZINC000188970088 823336012 /nfs/dbraw/zinc/33/60/12/823336012.db2.gz UXWGDVIGFKWODY-LJQANCHMSA-N 1 0 382.529 4.032 20 0 GIADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1ccc(CSC)cc1 ZINC000176963931 823336200 /nfs/dbraw/zinc/33/62/00/823336200.db2.gz JUYAASJAEHVLRZ-NRFANRHFSA-N 1 0 398.576 4.463 20 0 GIADRO Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c(C)c1 ZINC000016402360 818436151 /nfs/dbraw/zinc/43/61/51/818436151.db2.gz VOVPFSBGZMORQJ-LJQANCHMSA-N 1 0 394.515 4.473 20 0 GIADRO C[C@H](CNC(=O)[C@H]1C[C@H]1c1ccc([C@H]2C[C@H]2C)o1)[N@@H+]1CCc2ccccc2C1 ZINC000409890358 823336781 /nfs/dbraw/zinc/33/67/81/823336781.db2.gz HIETUYFVDGCPBN-CQQLTZKSSA-N 1 0 378.516 4.070 20 0 GIADRO C[C@@H](CNC(=O)[C@H]1C[C@H]1c1ccc([C@H]2C[C@H]2C)o1)[N@@H+]1CCc2ccccc2C1 ZINC000409890359 823336874 /nfs/dbraw/zinc/33/68/74/823336874.db2.gz HIETUYFVDGCPBN-DTXWBZGDSA-N 1 0 378.516 4.070 20 0 GIADRO CCCc1cnc(NC(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)s1 ZINC000572432625 823337998 /nfs/dbraw/zinc/33/79/98/823337998.db2.gz NRCZUZHBVUDFDB-GOSISDBHSA-N 1 0 388.537 4.063 20 0 GIADRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccoc1C1CC1 ZINC000409895214 823338151 /nfs/dbraw/zinc/33/81/51/823338151.db2.gz FRYPJFSOGMRVOF-UHFFFAOYSA-N 1 0 380.410 4.380 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)c2nc(C3CC3)n(-c3ccccc3Cl)n2)c1 ZINC000122323870 823338223 /nfs/dbraw/zinc/33/82/23/823338223.db2.gz PEHFDXDSMHZNKL-UHFFFAOYSA-N 1 0 395.894 4.112 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1cc(-c2ccncc2)nc2ccccc21)c1ccccc1 ZINC000016599390 818458920 /nfs/dbraw/zinc/45/89/20/818458920.db2.gz DYHFPSJMKHNTKO-DEOSSOPVSA-N 1 0 396.494 4.330 20 0 GIADRO CC(C)n1cnc(C(=O)Nc2ccc(C[N@H+](C[C@@H]3CCCCO3)C(C)C)cc2)c1 ZINC000409899541 823339377 /nfs/dbraw/zinc/33/93/77/823339377.db2.gz DWWQOVJQGWWTBN-NRFANRHFSA-N 1 0 398.551 4.496 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)Cc1coc2cc(OC)ccc12 ZINC000016784043 818478150 /nfs/dbraw/zinc/47/81/50/818478150.db2.gz FTMOERDNEQIYSG-UHFFFAOYSA-N 1 0 380.488 4.142 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(Cl)nc3Cl)c(C)c2)CC1 ZINC000122336135 823339908 /nfs/dbraw/zinc/33/99/08/823339908.db2.gz FOYWKZKLJRAGFF-UHFFFAOYSA-N 1 0 393.318 4.091 20 0 GIADRO Clc1ccc2ncc(CN3CC[C@]4(CC[N@H+](Cc5ccccc5)C4)C3)n2c1 ZINC000572444738 823340448 /nfs/dbraw/zinc/34/04/48/823340448.db2.gz CSXNREYCJUYSLD-QFIPXVFZSA-N 1 0 380.923 4.086 20 0 GIADRO FC(F)(F)c1cc(Cl)cc(C[NH2+]Cc2ccccc2CN2CCOCC2)c1 ZINC000189004596 823340859 /nfs/dbraw/zinc/34/08/59/823340859.db2.gz RDUZQJKVMRZOGB-UHFFFAOYSA-N 1 0 398.856 4.481 20 0 GIADRO CC(C)n1cc(C(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)cn1 ZINC000189006529 823341193 /nfs/dbraw/zinc/34/11/93/823341193.db2.gz WNTIWTRZQFFDCV-UHFFFAOYSA-N 1 0 376.504 4.123 20 0 GIADRO CN1CCC([NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)CC1 ZINC000017314100 818508829 /nfs/dbraw/zinc/50/88/29/818508829.db2.gz MJYJHNMEUHONJF-UHFFFAOYSA-N 1 0 394.950 4.436 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=S)Nc1ccccc1OC)c1cccc(OC)c1 ZINC000017516610 818517358 /nfs/dbraw/zinc/51/73/58/818517358.db2.gz HOPVSLOPTLFEEN-LJQANCHMSA-N 1 0 387.549 4.073 20 0 GIADRO C[C@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000176981721 823341821 /nfs/dbraw/zinc/34/18/21/823341821.db2.gz WQLRITANRDKFBF-NEPJUHHUSA-N 1 0 398.290 4.189 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1ccc(C2SCCS2)cc1)Cc1ccccc1 ZINC000017794014 818527611 /nfs/dbraw/zinc/52/76/11/818527611.db2.gz OALWVYDKZLDYKB-LJQANCHMSA-N 1 0 386.586 4.068 20 0 GIADRO C[C@H](NC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)c1cccc(OCc2ccccn2)c1 ZINC000122364382 823344189 /nfs/dbraw/zinc/34/41/89/823344189.db2.gz ICWKTSLTWQOOFJ-RDGPPVDQSA-N 1 0 381.520 4.099 20 0 GIADRO CC[C@H](Cc1ccccc1)N(C)C(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000460298197 823344273 /nfs/dbraw/zinc/34/42/73/823344273.db2.gz OJBHRVGDLXGMEM-HSZRJFAPSA-N 1 0 393.575 4.310 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@H]3CCC(=O)c4ccccc43)cc2)C1 ZINC000572465400 823345037 /nfs/dbraw/zinc/34/50/37/823345037.db2.gz ZUXBPWFREZUEIZ-MBSDFSHPSA-N 1 0 390.527 4.295 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H]3CCC(=O)c4ccccc43)cc2)C1 ZINC000572465398 823345087 /nfs/dbraw/zinc/34/50/87/823345087.db2.gz ZUXBPWFREZUEIZ-FDDCHVKYSA-N 1 0 390.527 4.295 20 0 GIADRO C[C@@H](C(=O)Nc1cc(Cl)ccc1F)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000057889409 823345289 /nfs/dbraw/zinc/34/52/89/823345289.db2.gz RDZIOBXUQGYARQ-INIZCTEOSA-N 1 0 395.950 4.394 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCc1cc(F)cc(F)c1 ZINC000057890292 823345759 /nfs/dbraw/zinc/34/57/59/823345759.db2.gz XKPXILKGFQFROI-MRXNPFEDSA-N 1 0 387.474 4.339 20 0 GIADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)NC[C@H](c2ccccc2)C(F)(F)F)o1 ZINC000189037486 823346117 /nfs/dbraw/zinc/34/61/17/823346117.db2.gz FZIIIXKVHMEWDM-GOSISDBHSA-N 1 0 397.441 4.007 20 0 GIADRO Cc1cc(NC(=O)CC2CC(F)(F)C2)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000572472075 823346129 /nfs/dbraw/zinc/34/61/29/823346129.db2.gz TWVAESWLUMWBQF-SFHVURJKSA-N 1 0 388.462 4.012 20 0 GIADRO OC[C@H](C[NH2+]Cc1cnn(C2CCCC2)c1-c1ccccc1)Cc1ccco1 ZINC000572472875 823346373 /nfs/dbraw/zinc/34/63/73/823346373.db2.gz JYYYCMQCAWLSFP-SFHVURJKSA-N 1 0 379.504 4.199 20 0 GIADRO O=C(c1ccccc1F)N1CCC([NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000189041184 823347013 /nfs/dbraw/zinc/34/70/13/823347013.db2.gz WECALYSQGMSWII-TZIWHRDSSA-N 1 0 380.507 4.431 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)C(C)(C)COCc3ccccc3)c2)CC1 ZINC000409937670 823347996 /nfs/dbraw/zinc/34/79/96/823347996.db2.gz MKPUNLCCDAHCDU-UHFFFAOYSA-N 1 0 395.547 4.010 20 0 GIADRO O=C(Cc1csc(-c2ccc(Cl)s2)n1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000572486788 823348379 /nfs/dbraw/zinc/34/83/79/823348379.db2.gz KFDOBUAFUWDVDI-OCCSQVGLSA-N 1 0 395.981 4.058 20 0 GIADRO C[C@H](NC(=O)c1c[nH]nc1-c1cc2ccccc2o1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000189051557 823348838 /nfs/dbraw/zinc/34/88/38/823348838.db2.gz HLQCKQNVHQBYNB-DOTOQJQBSA-N 1 0 392.503 4.206 20 0 GIADRO COc1cccc(F)c1[C@H](C)[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000122397895 823349088 /nfs/dbraw/zinc/34/90/88/823349088.db2.gz MUGIFOTZLICRHF-AWEZNQCLSA-N 1 0 390.886 4.443 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(O)ccc1C(F)(F)F)Cc1ccccc1 ZINC000189053053 823349126 /nfs/dbraw/zinc/34/91/26/823349126.db2.gz SJWZRCHMDMMONU-MRXNPFEDSA-N 1 0 394.437 4.094 20 0 GIADRO COc1ccc([C@H]2CCCCC[N@@H+]2C[C@H](O)COCc2cccs2)cc1 ZINC000057972919 823351565 /nfs/dbraw/zinc/35/15/65/823351565.db2.gz DZJVOBQKHAAACU-GHTZIAJQSA-N 1 0 375.534 4.252 20 0 GIADRO C[C@H](c1ccc(F)cc1)[N@H+](C)C[C@H](O)COc1ccc(Br)cc1 ZINC000057974699 823351859 /nfs/dbraw/zinc/35/18/59/823351859.db2.gz IKWWKNJANRGWRI-DYVFJYSZSA-N 1 0 382.273 4.021 20 0 GIADRO Fc1ccc(Cn2cc(C[NH2+]Cc3cc(F)cc(Br)c3)cn2)cc1 ZINC000189070967 823351915 /nfs/dbraw/zinc/35/19/15/823351915.db2.gz AOOPGCICOQKTKL-UHFFFAOYSA-N 1 0 392.247 4.262 20 0 GIADRO CC[C@H]([NH2+]Cc1cnn(Cc2ccc(F)cc2)c1)c1ccc2c(c1)OCCO2 ZINC000189070730 823351999 /nfs/dbraw/zinc/35/19/99/823351999.db2.gz MCJPHQKXEHWZHU-FQEVSTJZSA-N 1 0 381.451 4.083 20 0 GIADRO C[C@H](c1ccccc1Br)[N@H+](C)CCC(=O)Nc1cc(N)ccc1F ZINC000177026348 823352675 /nfs/dbraw/zinc/35/26/75/823352675.db2.gz VUAFBXBJYUGIJQ-GFCCVEGCSA-N 1 0 394.288 4.192 20 0 GIADRO CN(C)C(=O)Sc1ccc(C[N@@H+]2CC[C@@H](COCc3ccccc3)C2)cc1 ZINC000177026306 823352776 /nfs/dbraw/zinc/35/27/76/823352776.db2.gz CUKDXWMYKGWCKS-HXUWFJFHSA-N 1 0 384.545 4.499 20 0 GIADRO CCN1CCC[C@H]1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 ZINC000020683461 818629875 /nfs/dbraw/zinc/62/98/75/818629875.db2.gz KDHAAUSGBDDTON-QFIPXVFZSA-N 1 0 390.531 4.122 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(F)c2ccccc21 ZINC000572519276 823353051 /nfs/dbraw/zinc/35/30/51/823353051.db2.gz BWHIZXAETMXZOT-AWEZNQCLSA-N 1 0 380.419 4.039 20 0 GIADRO Fc1cccc(-c2cnc(CN3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@H]4C3)o2)c1 ZINC000572530176 823355323 /nfs/dbraw/zinc/35/53/23/823355323.db2.gz MBCHVLSVJXXOIO-SFTDATJTSA-N 1 0 391.490 4.435 20 0 GIADRO CC(C)Oc1ccc(NC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)cc1Cl ZINC000058023560 823355338 /nfs/dbraw/zinc/35/53/38/823355338.db2.gz BQQQTAWTILSOHU-GOSISDBHSA-N 1 0 389.927 4.422 20 0 GIADRO O=C(N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1)NC1CC[NH+](C2CC2)CC1 ZINC000057990212 823353671 /nfs/dbraw/zinc/35/36/71/823353671.db2.gz LYGORSZBCLXYAO-QFIPXVFZSA-N 1 0 399.485 4.175 20 0 GIADRO c1c(C[NH2+]CCCOC[C@H]2CCCO2)c(-c2ccccc2)nn1-c1ccccc1 ZINC000058013600 823354784 /nfs/dbraw/zinc/35/47/84/823354784.db2.gz QBKRVWRIASXCHS-HSZRJFAPSA-N 1 0 391.515 4.215 20 0 GIADRO COc1ccccc1[C@@H](CNC(=S)Nc1cc(C)ccc1C)[NH+]1CCCC1 ZINC000021323158 818675225 /nfs/dbraw/zinc/67/52/25/818675225.db2.gz JOFWLKVSKGHNAO-HXUWFJFHSA-N 1 0 383.561 4.436 20 0 GIADRO Fc1ccc([C@@H](C[C@H]2CCCO2)[NH2+]Cc2cccc(Cn3ccnc3)c2)cc1 ZINC000572532680 823355793 /nfs/dbraw/zinc/35/57/93/823355793.db2.gz ZXVZOEPKIAUCEZ-DHIUTWEWSA-N 1 0 379.479 4.471 20 0 GIADRO C[C@@H](c1nc2ccccc2s1)[N@H+](C)CCC(=O)N1CCc2ccccc2C1 ZINC000189093963 823356376 /nfs/dbraw/zinc/35/63/76/823356376.db2.gz QXQPJFPNJYQALO-INIZCTEOSA-N 1 0 379.529 4.264 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)C3(Cc4ccccc4)CC3)cc2F)CC1 ZINC000177039781 823356957 /nfs/dbraw/zinc/35/69/57/823356957.db2.gz BQDJYDSVMWYXFZ-UHFFFAOYSA-N 1 0 395.522 4.318 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)c1 ZINC000122455871 823357105 /nfs/dbraw/zinc/35/71/05/823357105.db2.gz UHGCNZZYPBKRIR-UHFFFAOYSA-N 1 0 396.922 4.151 20 0 GIADRO CS[C@@H]1CN(Cc2cc(-c3ccc(Cl)cc3)no2)C[C@H]1[NH+]1CCCC1 ZINC000460350940 823361187 /nfs/dbraw/zinc/36/11/87/823361187.db2.gz YCRFNJQMVSFYIX-RTBURBONSA-N 1 0 377.941 4.007 20 0 GIADRO CC(C)c1ccc([C@H]([NH2+]CC(=O)NC(=O)NC(C)(C)C)c2cccs2)cc1 ZINC000058069438 823359114 /nfs/dbraw/zinc/35/91/14/823359114.db2.gz SWACQWYBZNKZFU-IBGZPJMESA-N 1 0 387.549 4.175 20 0 GIADRO CC(C)c1ccc([C@@H]([NH2+]CC(=O)NC(=O)NC(C)(C)C)c2cccs2)cc1 ZINC000058069443 823359166 /nfs/dbraw/zinc/35/91/66/823359166.db2.gz SWACQWYBZNKZFU-LJQANCHMSA-N 1 0 387.549 4.175 20 0 GIADRO Cc1ccc(NC(=O)CN[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)c(Cl)c1 ZINC000460343756 823359209 /nfs/dbraw/zinc/35/92/09/823359209.db2.gz RJJFBUJOZNILGD-CYGODWOOSA-N 1 0 399.966 4.333 20 0 GIADRO c1nc(-c2ccncc2)sc1C[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000572550587 823359241 /nfs/dbraw/zinc/35/92/41/823359241.db2.gz QDMBPWFURBERNZ-FQEVSTJZSA-N 1 0 379.485 4.217 20 0 GIADRO C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000189127657 823361452 /nfs/dbraw/zinc/36/14/52/823361452.db2.gz BPQYFQNRERTXNL-XXBNENTESA-N 1 0 392.543 4.172 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(OCC(F)(F)F)c(C)c2)C1 ZINC000177051624 823359912 /nfs/dbraw/zinc/35/99/12/823359912.db2.gz SEPXZBNUSQWXTE-HNNXBMFYSA-N 1 0 387.446 4.132 20 0 GIADRO Cc1c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cnn1C1CCCCC1 ZINC000572554424 823360145 /nfs/dbraw/zinc/36/01/45/823360145.db2.gz WPZLLTRVRHQLCN-AVRDEDQJSA-N 1 0 380.536 4.090 20 0 GIADRO CC[N@H+](CCNC(=O)[C@H](C)c1ccc(C(F)(F)F)cc1)CCC(F)(F)F ZINC000409977359 823360203 /nfs/dbraw/zinc/36/02/03/823360203.db2.gz FEBUFLWUMIQEBF-GFCCVEGCSA-N 1 0 384.364 4.199 20 0 GIADRO CC[N@@H+]1CCC[C@@H](CNC(=O)CSc2cc(C)c(Br)cc2C)C1 ZINC000409983386 823362294 /nfs/dbraw/zinc/36/22/94/823362294.db2.gz XPEBZNHUGVWNMO-HNNXBMFYSA-N 1 0 399.398 4.006 20 0 GIADRO CS[C@@H]1CN(Cc2nc(C)c(-c3ccc(Cl)cc3)o2)C[C@@H]1[NH+]1CCCC1 ZINC000460355174 823362385 /nfs/dbraw/zinc/36/23/85/823362385.db2.gz KSGSOXUPLKJQHX-ZWKOTPCHSA-N 1 0 391.968 4.315 20 0 GIADRO Brc1cc2cccnc2c(C[NH+]2CCC([C@@H]3CCCO3)CC2)c1 ZINC000189133936 823362686 /nfs/dbraw/zinc/36/26/86/823362686.db2.gz AMBVPZYKBUVBRQ-SFHVURJKSA-N 1 0 375.310 4.388 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)C[N@@H+]1C1CC1 ZINC000177085473 823367589 /nfs/dbraw/zinc/36/75/89/823367589.db2.gz YLUAQUOGAUHMAU-AEFFLSMTSA-N 1 0 387.483 4.364 20 0 GIADRO CS[C@H]1CN(Cc2ncc(-c3cccc(Cl)c3)o2)C[C@H]1[NH+]1CCCC1 ZINC000460357415 823363016 /nfs/dbraw/zinc/36/30/16/823363016.db2.gz SQBAIDMYIXUENP-AEFFLSMTSA-N 1 0 377.941 4.007 20 0 GIADRO Cc1cc(NC(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)ccc1N(C)C ZINC000058122212 823363122 /nfs/dbraw/zinc/36/31/22/823363122.db2.gz PMLFBXWGLLJBSO-UHFFFAOYSA-N 1 0 380.536 4.019 20 0 GIADRO Nc1ccc(F)c(NC(=O)CC[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)c1 ZINC000177066711 823363292 /nfs/dbraw/zinc/36/32/92/823363292.db2.gz ZBBRSWIVUGYVAX-JOCHJYFZSA-N 1 0 381.426 4.255 20 0 GIADRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N1CC2(CCC2)[C@H]1C1CC1 ZINC000460357888 823363328 /nfs/dbraw/zinc/36/33/28/823363328.db2.gz AKMXSVRYNRRQON-JBYIUTFZSA-N 1 0 381.564 4.117 20 0 GIADRO Cc1cc(NC(=O)NCc2ccccc2C[NH+]2CCCCC2)ccc1N(C)C ZINC000058125037 823363307 /nfs/dbraw/zinc/36/33/07/823363307.db2.gz ZDMGBDNEFKVKAP-UHFFFAOYSA-N 1 0 380.536 4.369 20 0 GIADRO Cc1c(Cl)cccc1NC(=O)CNC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000460361668 823363831 /nfs/dbraw/zinc/36/38/31/823363831.db2.gz HQSVQAATTNMJQY-IAGOWNOFSA-N 1 0 399.966 4.333 20 0 GIADRO CSC1(CNC(=O)N[C@@H](c2ccc(F)cc2F)C(C)(C)C)CC[NH+](C)CC1 ZINC000460361883 823363896 /nfs/dbraw/zinc/36/38/96/823363896.db2.gz LIUXXDCLPSXFRP-KRWDZBQOSA-N 1 0 399.551 4.179 20 0 GIADRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2ccccc2NCc2cccnc2)C1 ZINC000177070144 823364372 /nfs/dbraw/zinc/36/43/72/823364372.db2.gz PGKRTTUGWABRRR-PMACEKPBSA-N 1 0 394.563 4.182 20 0 GIADRO CC(C)C[C@H](CNC(=O)NCc1ccc2cc[nH]c2n1)[NH2+][C@@H](C)c1ccccc1 ZINC000460366457 823365005 /nfs/dbraw/zinc/36/50/05/823365005.db2.gz RNJRIQOACOTVNJ-LAUBAEHRSA-N 1 0 393.535 4.128 20 0 GIADRO COc1ccccc1SCC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000122511766 823365065 /nfs/dbraw/zinc/36/50/65/823365065.db2.gz IYUYZHUIOIXTCF-UHFFFAOYSA-N 1 0 384.545 4.090 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(C)(C)COCc1ccccc1 ZINC000409992572 823365108 /nfs/dbraw/zinc/36/51/08/823365108.db2.gz LJPDRYHJKYRNIZ-OFNKIYASSA-N 1 0 394.559 4.256 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(C)(C)COCc1ccccc1 ZINC000409992573 823365124 /nfs/dbraw/zinc/36/51/24/823365124.db2.gz LJPDRYHJKYRNIZ-REWPJTCUSA-N 1 0 394.559 4.256 20 0 GIADRO O=C(COc1cc(Cl)ccc1Cl)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000022463970 818810565 /nfs/dbraw/zinc/81/05/65/818810565.db2.gz IMMBSEVUDWVUDW-SFHVURJKSA-N 1 0 393.314 4.326 20 0 GIADRO O=C(c1ccc(F)c(Cl)c1F)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000572589048 823366268 /nfs/dbraw/zinc/36/62/68/823366268.db2.gz COFVFHFGEZMLRU-OAQYLSRUSA-N 1 0 390.861 4.356 20 0 GIADRO O=C(NC1CC[NH+](C2CC2)CC1)c1ccc(COc2ccc3ccccc3c2)o1 ZINC000022603071 818832495 /nfs/dbraw/zinc/83/24/95/818832495.db2.gz YHHIGJPUGIBAOT-UHFFFAOYSA-N 1 0 390.483 4.368 20 0 GIADRO O=C(c1ccc(-c2ccc(F)cc2)o1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000022611014 818833477 /nfs/dbraw/zinc/83/34/77/818833477.db2.gz MOLJCBYTFMJMHV-UHFFFAOYSA-N 1 0 378.447 4.434 20 0 GIADRO COc1ccc(-c2nc(C)c(C(=O)NCC(C)(C)[NH+]3CCCCC3)s2)cc1 ZINC000022622621 818835462 /nfs/dbraw/zinc/83/54/62/818835462.db2.gz FCMPHRSFLMKAFX-UHFFFAOYSA-N 1 0 387.549 4.121 20 0 GIADRO CCc1ccc([C@@H](CNC(=O)c2sc(-c3ccccn3)nc2C)[NH+](C)C)cc1 ZINC000022684174 818843057 /nfs/dbraw/zinc/84/30/57/818843057.db2.gz PKWQXSSEHABUQN-LJQANCHMSA-N 1 0 394.544 4.109 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1occc1COc1ccccc1)c1cccc(F)c1 ZINC000022767008 818858089 /nfs/dbraw/zinc/85/80/89/818858089.db2.gz RMZFNGZYFOQUJE-HXUWFJFHSA-N 1 0 382.435 4.030 20 0 GIADRO C[NH+](C)CCCOC1CCN(C(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)CC1 ZINC000177108021 823373175 /nfs/dbraw/zinc/37/31/75/823373175.db2.gz ZLONKJVANMJDQC-RTBURBONSA-N 1 0 399.362 4.056 20 0 GIADRO COc1cc(C[NH2+]CC(c2ccccc2)c2ccccc2)cc2c1OCCO2 ZINC000022782609 818860126 /nfs/dbraw/zinc/86/01/26/818860126.db2.gz NBPKAJIKVNJMIT-UHFFFAOYSA-N 1 0 375.468 4.388 20 0 GIADRO COc1ccc([C@H]([NH2+]Cc2cc(OC)c3c(c2)OCCO3)c2ccccc2)cc1 ZINC000022790874 818861358 /nfs/dbraw/zinc/86/13/58/818861358.db2.gz KBWSRNYVYTUMQK-HSZRJFAPSA-N 1 0 391.467 4.354 20 0 GIADRO COc1ccc([C@H](C[NH2+]Cc2cccc3ccccc32)N2CCOCC2)cc1 ZINC000022801876 818862536 /nfs/dbraw/zinc/86/25/36/818862536.db2.gz WANWURNIQKBHRE-DEOSSOPVSA-N 1 0 376.500 4.012 20 0 GIADRO C[C@H]1CN(C(C)(C)C[NH2+]Cc2csc(-c3ccc(Cl)cc3)n2)C[C@H](C)O1 ZINC000022819432 818864018 /nfs/dbraw/zinc/86/40/18/818864018.db2.gz HTERLZWQKOEHPF-GJZGRUSLSA-N 1 0 393.984 4.441 20 0 GIADRO CN(C(=O)c1cnccc1Oc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000410005741 823369392 /nfs/dbraw/zinc/36/93/92/823369392.db2.gz UJCLNAHPIKSAHS-HXUWFJFHSA-N 1 0 387.483 4.220 20 0 GIADRO CC[NH+]1CCC(n2nccc2NC(=O)c2ccc(CCC(F)(F)F)cc2)CC1 ZINC000122546557 823370227 /nfs/dbraw/zinc/37/02/27/823370227.db2.gz DYQUCKUYHXIWFE-UHFFFAOYSA-N 1 0 394.441 4.287 20 0 GIADRO Cc1ncc(C[NH2+]C[C@H](O)CO[C@@H](c2ccccc2)c2ccc(C)cc2)s1 ZINC000572631995 823371778 /nfs/dbraw/zinc/37/17/78/823371778.db2.gz ODFNNSAFYFZIQK-UNMCSNQZSA-N 1 0 382.529 4.017 20 0 GIADRO c1cn2c(CN3CC[NH+](Cc4ccccc4)CC3)c(-c3ccccc3)nc2s1 ZINC000023162486 818905031 /nfs/dbraw/zinc/90/50/31/818905031.db2.gz ZFVDZKUMBSSVFM-UHFFFAOYSA-N 1 0 388.540 4.381 20 0 GIADRO COc1cc(Br)ccc1C[NH2+]Cc1c[nH]nc1-c1cccc(C)c1 ZINC000189184944 823371972 /nfs/dbraw/zinc/37/19/72/823371972.db2.gz NEARPLZGQASBLR-UHFFFAOYSA-N 1 0 386.293 4.446 20 0 GIADRO OCCC[N@H+](CCCO[C@H]1CCCCO1)Cc1ccc(Cl)c(Cl)c1 ZINC000460386578 823371982 /nfs/dbraw/zinc/37/19/82/823371982.db2.gz KYDROOXFSGWGEQ-SFHVURJKSA-N 1 0 376.324 4.111 20 0 GIADRO CC[NH+](CC)CCOc1ccc(CNC(=O)c2ccccc2C(F)(F)F)cc1 ZINC000058258880 823372285 /nfs/dbraw/zinc/37/22/85/823372285.db2.gz VWSXPWBGEDIMBH-UHFFFAOYSA-N 1 0 394.437 4.356 20 0 GIADRO COc1cccc(-c2ccc(C[NH2+][C@H](C)c3ccc(-n4cnnn4)cc3)cc2)c1 ZINC000122557901 823372467 /nfs/dbraw/zinc/37/24/67/823372467.db2.gz POVGYJBUBHNIBT-QGZVFWFLSA-N 1 0 385.471 4.189 20 0 GIADRO COc1cc(Br)ccc1C[NH2+]Cc1c(C2CC2)nc2sccn12 ZINC000189187697 823372857 /nfs/dbraw/zinc/37/28/57/823372857.db2.gz IEPDQLKFHVDKSD-UHFFFAOYSA-N 1 0 392.322 4.334 20 0 GIADRO O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000023385197 818931124 /nfs/dbraw/zinc/93/11/24/818931124.db2.gz MFWDHFBDRGNIGY-DEOSSOPVSA-N 1 0 392.543 4.258 20 0 GIADRO CC(C)c1c(C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cnn1-c1cccc(Cl)c1 ZINC000177116171 823374967 /nfs/dbraw/zinc/37/49/67/823374967.db2.gz PNIZBALSPHVLQI-HOCLYGCPSA-N 1 0 386.927 4.004 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)NCC3CCC(F)(F)CC3)c(C)c2)CC1 ZINC000410031540 823375061 /nfs/dbraw/zinc/37/50/61/823375061.db2.gz XFRXYXICGCZURI-UHFFFAOYSA-N 1 0 394.510 4.084 20 0 GIADRO Cc1ccccc1[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)[C@@H](C)CO1 ZINC000460394868 823375138 /nfs/dbraw/zinc/37/51/38/823375138.db2.gz PQPABNLYXJCAJA-SSPYTLHUSA-N 1 0 392.543 4.196 20 0 GIADRO Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000023480174 818944296 /nfs/dbraw/zinc/94/42/96/818944296.db2.gz BMHACOJGLBUBDL-LJQANCHMSA-N 1 0 380.923 4.198 20 0 GIADRO CC1(C)CN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)Cc2ccccc2O1 ZINC000460406067 823378613 /nfs/dbraw/zinc/37/86/13/823378613.db2.gz NLZZCPWVGZOGTA-UHFFFAOYSA-N 1 0 385.552 4.166 20 0 GIADRO Cc1csc(SCc2ccc(C(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)cc2)n1 ZINC000058299182 823376279 /nfs/dbraw/zinc/37/62/79/823376279.db2.gz OHCWBEJNDAVRFS-ROUUACIJSA-N 1 0 387.574 4.100 20 0 GIADRO CCc1nnc(-c2ccc(NC(=O)[C@@H](CC)[N@H+](C)Cc3ccccc3)cc2)o1 ZINC000572654657 823376512 /nfs/dbraw/zinc/37/65/12/823376512.db2.gz KZBHVNZYZLLPLD-LJQANCHMSA-N 1 0 378.476 4.148 20 0 GIADRO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)Cc2cccc3ccccc32)CC1 ZINC000023653756 818971144 /nfs/dbraw/zinc/97/11/44/818971144.db2.gz XGLPXPNYKWECAV-UHFFFAOYSA-N 1 0 393.918 4.426 20 0 GIADRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccc(Br)cc1F ZINC000023741043 818977723 /nfs/dbraw/zinc/97/77/23/818977723.db2.gz UNMWZKJTMOSLLG-GOSISDBHSA-N 1 0 391.284 4.155 20 0 GIADRO COc1ccc2nc(C)c(C(=O)NC[C@@H](c3ccccc3)[NH+]3CCCC3)cc2c1 ZINC000023741981 818977760 /nfs/dbraw/zinc/97/77/60/818977760.db2.gz ZEPWICSWVRMFBV-QHCPKHFHSA-N 1 0 389.499 4.119 20 0 GIADRO O=C(Cc1ccc(C(F)(F)F)cc1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000023741351 818977924 /nfs/dbraw/zinc/97/79/24/818977924.db2.gz IKIJFRAEUBNBLM-IBGZPJMESA-N 1 0 376.422 4.201 20 0 GIADRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccc(F)cc1Br ZINC000023739862 818978065 /nfs/dbraw/zinc/97/80/65/818978065.db2.gz PCHOWWSXIIKIKI-GOSISDBHSA-N 1 0 391.284 4.155 20 0 GIADRO NC(=O)c1csc(C[NH2+]CC2(c3ccc(Br)cc3Cl)CC2)c1 ZINC000572665724 823378780 /nfs/dbraw/zinc/37/87/80/823378780.db2.gz CUYRKZAOYOQYPA-UHFFFAOYSA-N 1 0 399.741 4.084 20 0 GIADRO Cc1cc(Br)c(NC(=O)N2CCC[N@@H+](C(C)C)CC2)cc1Cl ZINC000122597982 823378936 /nfs/dbraw/zinc/37/89/36/823378936.db2.gz AATCPJIMUAHNEY-UHFFFAOYSA-N 1 0 388.737 4.359 20 0 GIADRO CC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)c1C ZINC000410050990 823380183 /nfs/dbraw/zinc/38/01/83/823380183.db2.gz VPIJENFAEBPCOX-FQEVSTJZSA-N 1 0 395.547 4.037 20 0 GIADRO C[C@@H]1CCCN(Cc2csc(NC(=O)NC[C@H]3CCCC(F)(F)C3)n2)C1 ZINC000410051713 823380510 /nfs/dbraw/zinc/38/05/10/823380510.db2.gz JQDJOPICWRXHFC-KGLIPLIRSA-N 1 0 386.512 4.322 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)CCC(=O)c2cc(C)ccc2C)cc1 ZINC000024140793 819027354 /nfs/dbraw/zinc/02/73/54/819027354.db2.gz GLOOGDIOZFHOFS-UHFFFAOYSA-N 1 0 380.532 4.425 20 0 GIADRO Cc1c(C(=O)N[C@@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)cnn1C(C)(C)C ZINC000410054192 823381235 /nfs/dbraw/zinc/38/12/35/823381235.db2.gz PKRCUUKZBRSCTR-NRFANRHFSA-N 1 0 396.579 4.149 20 0 GIADRO CC(C)(C)c1ccccc1NC(=O)CN1CCC[N@H+](Cc2ccccc2)CC1 ZINC000024244679 819038811 /nfs/dbraw/zinc/03/88/11/819038811.db2.gz YDBYSDNRANYJRD-UHFFFAOYSA-N 1 0 379.548 4.131 20 0 GIADRO Cc1sc([C@@H](C)NC(=O)NC[C@H]2CCC[N@@H+]2C)nc1-c1ccc(Cl)cc1 ZINC000122611642 823381488 /nfs/dbraw/zinc/38/14/88/823381488.db2.gz LFUMUIBLEDIRPL-MLGOLLRUSA-N 1 0 392.956 4.226 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)NC[C@H]3CCCC(F)(F)C3)c(C)c2)CC1 ZINC000410059764 823382328 /nfs/dbraw/zinc/38/23/28/823382328.db2.gz SEQFDLBZPJPCGN-KRWDZBQOSA-N 1 0 394.510 4.084 20 0 GIADRO O=C(Cc1csc(-c2ccccc2)n1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000024390017 819053794 /nfs/dbraw/zinc/05/37/94/819053794.db2.gz LRXRRNBUQJNMDZ-UHFFFAOYSA-N 1 0 391.540 4.265 20 0 GIADRO COc1ccc(CN(CC2CC2)C(=O)Nc2cccc(C[NH+](C)C)c2)c(OC)c1 ZINC000410060531 823382444 /nfs/dbraw/zinc/38/24/44/823382444.db2.gz WUHDRIKMZMJLFF-UHFFFAOYSA-N 1 0 397.519 4.210 20 0 GIADRO CCSc1cccc(Br)c1NC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000572686663 823382924 /nfs/dbraw/zinc/38/29/24/823382924.db2.gz WIDNIASKRYGJPS-NEPJUHHUSA-N 1 0 386.359 4.165 20 0 GIADRO CC[C@H]([NH2+]Cc1ccc2nc(C)ccc2c1)c1ccccc1OCC(=O)N(C)C ZINC000189263846 823383234 /nfs/dbraw/zinc/38/32/34/823383234.db2.gz UFYWKBBLMJTMMH-NRFANRHFSA-N 1 0 391.515 4.251 20 0 GIADRO Cc1nc(-c2ccncc2)nc(N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1C ZINC000572689785 823383404 /nfs/dbraw/zinc/38/34/04/823383404.db2.gz MCKYEUXHPIHJOR-PKTZIBPZSA-N 1 0 399.542 4.114 20 0 GIADRO CCc1noc(-c2ccc(C)c(NC(=O)NCCCCC[NH+]3CCCCC3)c2)n1 ZINC000177149680 823383487 /nfs/dbraw/zinc/38/34/87/823383487.db2.gz FVSXDOQEEWITBF-UHFFFAOYSA-N 1 0 399.539 4.385 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(C(F)(F)F)nc1C)c1ccccc1 ZINC000024555988 819071016 /nfs/dbraw/zinc/07/10/16/819071016.db2.gz DAMGCKREPCCHJT-QGZVFWFLSA-N 1 0 379.426 4.222 20 0 GIADRO CCn1cnnc1-c1cccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000024581608 819075299 /nfs/dbraw/zinc/07/52/99/819075299.db2.gz BQLCYFYYLTXSMO-UHFFFAOYSA-N 1 0 389.503 4.203 20 0 GIADRO C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)C(C)(C)C3CCCC3)cc2)CC1 ZINC000122639569 823385920 /nfs/dbraw/zinc/38/59/20/823385920.db2.gz UJMSEZJOCFQXMR-UHFFFAOYSA-N 1 0 386.540 4.057 20 0 GIADRO CCS[C@H]1CC[C@@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000177157254 823386173 /nfs/dbraw/zinc/38/61/73/823386173.db2.gz PIEUWGGDUTUPDF-UXHICEINSA-N 1 0 375.582 4.098 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)C2(c3ccc(F)cc3)CCC2)CC1 ZINC000058400060 823386172 /nfs/dbraw/zinc/38/61/72/823386172.db2.gz PRHDEPSKRFGASJ-UHFFFAOYSA-N 1 0 380.507 4.337 20 0 GIADRO C[C@H]1CN(C(=O)c2ccc(C[NH2+]Cc3ccc(Cl)cc3F)cc2)C[C@H](C)O1 ZINC000189282458 823386229 /nfs/dbraw/zinc/38/62/29/823386229.db2.gz CVXZLUCDZDLLBP-GJZGRUSLSA-N 1 0 390.886 4.018 20 0 GIADRO CCc1noc(-c2ccc(C)c(NC(=O)NC3CC[NH+](C4CCCC4)CC3)c2)n1 ZINC000177156571 823386254 /nfs/dbraw/zinc/38/62/54/823386254.db2.gz GRMZRDNJGWTUAN-UHFFFAOYSA-N 1 0 397.523 4.136 20 0 GIADRO Cc1cccc(C2(C(=O)NC3CC[NH+](Cc4ccccn4)CC3)CCCCC2)c1 ZINC000058413855 823387256 /nfs/dbraw/zinc/38/72/56/823387256.db2.gz AVLATGCUYRDJEL-UHFFFAOYSA-N 1 0 391.559 4.373 20 0 GIADRO CC(=O)CCc1ccc2oc(C(=O)NCc3ccc([C@@H](C)[NH3+])cc3)c(C)c2c1 ZINC000572713470 823387375 /nfs/dbraw/zinc/38/73/75/823387375.db2.gz JYPXFMURLIXYDX-MRXNPFEDSA-N 1 0 378.472 4.213 20 0 GIADRO COc1cccc([C@H](C)CC(=O)Nc2ccc(N(C)C3CC[NH+](C)CC3)cc2)c1 ZINC000177162361 823387458 /nfs/dbraw/zinc/38/74/58/823387458.db2.gz INCDXBORMZVTNJ-GOSISDBHSA-N 1 0 395.547 4.358 20 0 GIADRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cc(O)ccc1C(F)(F)F ZINC000189290609 823388308 /nfs/dbraw/zinc/38/83/08/823388308.db2.gz OOORMZXWKIFCCI-CYBMUJFWSA-N 1 0 398.450 4.115 20 0 GIADRO C[C@@H](CSc1nnc(Cc2cccs2)n1CCc1ccccc1)[NH+](C)C ZINC000460447157 823392310 /nfs/dbraw/zinc/39/23/10/823392310.db2.gz ULGDLVYENYVOPJ-INIZCTEOSA-N 1 0 386.590 4.215 20 0 GIADRO Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000177178950 823392499 /nfs/dbraw/zinc/39/24/99/823392499.db2.gz QZQNKDIQYWGZHC-CMPLNLGQSA-N 1 0 394.302 4.312 20 0 GIADRO C[C@@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)[N@H+](C)CC1(c2ccccc2)CC1 ZINC000189320158 823393440 /nfs/dbraw/zinc/39/34/40/823393440.db2.gz NWTAXCPGJUWDIH-NSHDSACASA-N 1 0 398.375 4.373 20 0 GIADRO Fc1cc([C@@H]2OCC[C@@H]2[NH2+]CCc2nc(-c3ccccc3)no2)ccc1Cl ZINC000572727393 823389577 /nfs/dbraw/zinc/38/95/77/823389577.db2.gz XMUHLHZSDHZPNR-HKUYNNGSSA-N 1 0 387.842 4.191 20 0 GIADRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc(OC(C)C)c(OC)c2)cc1 ZINC000572730385 823389919 /nfs/dbraw/zinc/38/99/19/823389919.db2.gz QNUUBZJSKSIWMQ-MRXNPFEDSA-N 1 0 391.533 4.127 20 0 GIADRO COC(=O)[C@H](NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)c1ccc(F)cc1 ZINC000572758358 823393664 /nfs/dbraw/zinc/39/36/64/823393664.db2.gz OZUYUZLGINUOMQ-HTAPYJJXSA-N 1 0 384.495 4.062 20 0 GIADRO Cc1cccn2c(C[NH2+][C@H](C)[C@@H](OC3CCOCC3)c3ccccc3)cnc12 ZINC000122671893 823391374 /nfs/dbraw/zinc/39/13/74/823391374.db2.gz BLPVMSKYHGYFEA-XMSQKQJNSA-N 1 0 379.504 4.058 20 0 GIADRO CCC[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@@H]2c2ccccc2Br)C1 ZINC000122713067 823399007 /nfs/dbraw/zinc/39/90/07/823399007.db2.gz RGDZYSFFOCKKCM-CRAIPNDOSA-N 1 0 394.357 4.028 20 0 GIADRO Cc1cc(Br)c(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1Cl ZINC000122709395 823398399 /nfs/dbraw/zinc/39/83/99/823398399.db2.gz UJTXLJRDKVQVHU-VXGBXAGGSA-N 1 0 388.737 4.357 20 0 GIADRO CC(C)(CCc1ccccc1)[NH2+]CC(=O)N[C@@H](c1nccs1)c1ccccc1 ZINC000177187377 823394692 /nfs/dbraw/zinc/39/46/92/823394692.db2.gz WOFNOMFRZBKWAX-OAQYLSRUSA-N 1 0 393.556 4.350 20 0 GIADRO Cc1cc(Br)ccc1CN(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000572764424 823394690 /nfs/dbraw/zinc/39/46/90/823394690.db2.gz VDSKUPBPFPUEEQ-UHFFFAOYSA-N 1 0 377.326 4.447 20 0 GIADRO COc1ccc(-c2ccc(C(=O)N(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)c(F)c2)c(F)c1 ZINC000122687764 823394880 /nfs/dbraw/zinc/39/48/80/823394880.db2.gz VLZXZXRHIWAMJG-GDBMZVCRSA-N 1 0 388.458 4.195 20 0 GIADRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(OCC(F)(F)F)cc2)cc1 ZINC000122691982 823395525 /nfs/dbraw/zinc/39/55/25/823395525.db2.gz XEZIKKISSSESSN-UONOGXRCSA-N 1 0 396.409 4.314 20 0 GIADRO Cc1cc([C@H](NC(=O)Nc2cccc(OCC[NH+](C)C)c2)C2CC2)ccc1F ZINC000572774058 823396484 /nfs/dbraw/zinc/39/64/84/823396484.db2.gz RUKIVWLRZQIYSD-OAQYLSRUSA-N 1 0 385.483 4.347 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N[C@@H]1CCc2sc(Cl)cc21 ZINC000572774608 823396921 /nfs/dbraw/zinc/39/69/21/823396921.db2.gz SERSKUOFPNKIFJ-ZIAGYGMSSA-N 1 0 379.913 4.118 20 0 GIADRO COC(C)(C)c1nc(C)c(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)s1 ZINC000572777333 823397191 /nfs/dbraw/zinc/39/71/91/823397191.db2.gz YCLSRFPWJWHUCW-QGZVFWFLSA-N 1 0 393.597 4.061 20 0 GIADRO C[NH+](C)CCCOc1cccc(NCc2cnn(Cc3ccc(F)cc3)c2)c1 ZINC000189341827 823397635 /nfs/dbraw/zinc/39/76/35/823397635.db2.gz TZLFPFDOVYLEGW-UHFFFAOYSA-N 1 0 382.483 4.013 20 0 GIADRO CC(C)c1noc(Cc2ccc(NC(=O)NCC[C@H](C)[NH+]3CCCCC3)cc2)n1 ZINC000572783480 823398258 /nfs/dbraw/zinc/39/82/58/823398258.db2.gz RDLWPHHBKXYCMC-KRWDZBQOSA-N 1 0 399.539 4.170 20 0 GIADRO CCC[N@@H+](Cc1nnc(-c2ccccc2Cl)o1)C[C@H](O)Cc1ccccc1 ZINC000177211183 823400263 /nfs/dbraw/zinc/40/02/63/823400263.db2.gz USWHBKYXVYPYSM-QGZVFWFLSA-N 1 0 385.895 4.206 20 0 GIADRO C[C@@H]([NH2+][C@@H](CN1CCCC1=O)c1ccccc1)c1ccc(Br)cc1 ZINC000177224461 823403722 /nfs/dbraw/zinc/40/37/22/823403722.db2.gz MXCKGYJOFPKYMC-BEFAXECRSA-N 1 0 387.321 4.463 20 0 GIADRO COc1cc(CNc2cccc(C[NH+](C)C)c2)ccc1OCc1ccncc1 ZINC000122725524 823400943 /nfs/dbraw/zinc/40/09/43/823400943.db2.gz CAQKKVVCEBXHFU-UHFFFAOYSA-N 1 0 377.488 4.343 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc2cc(OC)ccc2[nH]1 ZINC000189362242 823401023 /nfs/dbraw/zinc/40/10/23/823401023.db2.gz DOVHSRSWUAAQJS-LJQANCHMSA-N 1 0 391.515 4.161 20 0 GIADRO COc1ccc(CNc2cccc(C[NH+](C)C)c2)cc1OCc1cccnc1 ZINC000122725718 823401187 /nfs/dbraw/zinc/40/11/87/823401187.db2.gz SWAIOHGXBYRCFS-UHFFFAOYSA-N 1 0 377.488 4.343 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCc1ccc(F)cc1C(F)(F)F ZINC000410145769 823401241 /nfs/dbraw/zinc/40/12/41/823401241.db2.gz OMARJKIERDUQFO-CQSZACIVSA-N 1 0 389.437 4.298 20 0 GIADRO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[NH2+][C@@H](Cc1ccccc1)c1ccccc1F ZINC000122740548 823403792 /nfs/dbraw/zinc/40/37/92/823403792.db2.gz JZPIOJFZVYUSTJ-KKSFZXQISA-N 1 0 394.494 4.077 20 0 GIADRO Cc1ccccc1C[N@@H+]1CCCN(CCCc2nc(-c3cccs3)no2)CC1 ZINC000058506734 823401699 /nfs/dbraw/zinc/40/16/99/823401699.db2.gz QKAJEWPTKGVGDD-UHFFFAOYSA-N 1 0 396.560 4.247 20 0 GIADRO COc1cc(C[N@H+](C)C[C@@H](O)COc2ccccc2C(C)C)ccc1SC ZINC000058528265 823404053 /nfs/dbraw/zinc/40/40/53/823404053.db2.gz OEFPPDBRMUEUQC-GOSISDBHSA-N 1 0 389.561 4.412 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@@H](C)c2ccccc2-n2cccn2)cc(OC)c1OC ZINC000177219787 823402470 /nfs/dbraw/zinc/40/24/70/823402470.db2.gz NWGLFFBBZGPQGD-HOTGVXAUSA-N 1 0 381.476 4.310 20 0 GIADRO CCOC(=O)N1CCC([C@@H](C)[NH2+]Cc2csc(-c3cccs3)n2)CC1 ZINC000189372304 823402805 /nfs/dbraw/zinc/40/28/05/823402805.db2.gz AYKXGANONXRSKW-CYBMUJFWSA-N 1 0 379.551 4.218 20 0 GIADRO COc1ccc(OC)c(NC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)c1 ZINC000058522583 823403427 /nfs/dbraw/zinc/40/34/27/823403427.db2.gz QJQBVDYYBOFREW-QGZVFWFLSA-N 1 0 397.519 4.400 20 0 GIADRO COc1ccccc1[C@@H]1CCN(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000122741736 823404182 /nfs/dbraw/zinc/40/41/82/823404182.db2.gz WWHCGDKMATWKBB-IRLDBZIGSA-N 1 0 393.531 4.031 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)N2C[C@@H](C)Oc3ccc(OC)cc32)cc1)C1CC1 ZINC000460484419 823404419 /nfs/dbraw/zinc/40/44/19/823404419.db2.gz XHAVMOXCBVZKHB-MRXNPFEDSA-N 1 0 380.488 4.107 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)N3[C@H](C)C[C@H]4CCCC[C@@H]43)c(C)c2)CC1 ZINC000177227818 823404794 /nfs/dbraw/zinc/40/47/94/823404794.db2.gz LPAXJROJMBGGFR-KNKQGSTJSA-N 1 0 384.568 4.322 20 0 GIADRO CC(C)c1ccc([C@@H](C)CC(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)cc1 ZINC000460485220 823404807 /nfs/dbraw/zinc/40/48/07/823404807.db2.gz CIOJOFBDYJMUSA-NRFANRHFSA-N 1 0 399.623 4.370 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)c1ccc(Br)cc1 ZINC000177228293 823404878 /nfs/dbraw/zinc/40/48/78/823404878.db2.gz LAXKOPAGOQPKTQ-MRXNPFEDSA-N 1 0 389.337 4.132 20 0 GIADRO Cc1ccc(Br)cc1C(=O)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000460949652 823548980 /nfs/dbraw/zinc/54/89/80/823548980.db2.gz NGEICTSBWFPKIR-HLLBOEOZSA-N 1 0 379.342 4.235 20 0 GIADRO C[C@@H](Oc1ccc(F)cc1Cl)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177232555 823405728 /nfs/dbraw/zinc/40/57/28/823405728.db2.gz WNKZTWSMZAPXTR-CQSZACIVSA-N 1 0 382.907 4.160 20 0 GIADRO COc1cccc(C2(C(=O)NC3CC[NH+](C4CCCCC4)CC3)CCCC2)c1 ZINC000177232162 823405792 /nfs/dbraw/zinc/40/57/92/823405792.db2.gz MGUNFGGELANRMY-UHFFFAOYSA-N 1 0 384.564 4.420 20 0 GIADRO CC1(C)CC(NC(=O)N[C@H]2CCCc3cc(OC(F)F)ccc32)CC(C)(C)[NH2+]1 ZINC000058557962 823408799 /nfs/dbraw/zinc/40/87/99/823408799.db2.gz QTGGQSGOQLRDFX-KRWDZBQOSA-N 1 0 395.494 4.274 20 0 GIADRO Fc1ccc(Cn2cc(C[NH2+]Cc3ccccc3N3CCCCC3)cn2)cc1 ZINC000189393485 823407511 /nfs/dbraw/zinc/40/75/11/823407511.db2.gz IQHVRLIAKGSNHH-UHFFFAOYSA-N 1 0 378.495 4.351 20 0 GIADRO C[NH+](C)CCCCC(=O)Nc1cc(Br)ccc1OC(F)(F)F ZINC000572835708 823407675 /nfs/dbraw/zinc/40/76/75/823407675.db2.gz PUDADRAQZJTYNE-UHFFFAOYSA-N 1 0 383.208 4.018 20 0 GIADRO C[C@H]([NH2+]CCCN1CCc2ccccc2C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000122762546 823407897 /nfs/dbraw/zinc/40/78/97/823407897.db2.gz DFRDNAGDYCSRKN-SFHVURJKSA-N 1 0 392.547 4.070 20 0 GIADRO O=C([C@@H]1C[NH2+]Cc2ccccc21)N1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000572840261 823408092 /nfs/dbraw/zinc/40/80/92/823408092.db2.gz ZPWWARBJBXPNOX-IRLDBZIGSA-N 1 0 386.499 4.017 20 0 GIADRO COCCc1ccccc1NC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000189413882 823411096 /nfs/dbraw/zinc/41/10/96/823411096.db2.gz XSCQPSNFYUDYLD-IBGZPJMESA-N 1 0 381.520 4.004 20 0 GIADRO CC[N@H+](CC(=O)N(Cc1ccc(OC)cc1)[C@@H](C)Cc1cccs1)C1CC1 ZINC000058575913 823411620 /nfs/dbraw/zinc/41/16/20/823411620.db2.gz SBFWMSQNXBGHSC-KRWDZBQOSA-N 1 0 386.561 4.201 20 0 GIADRO C[NH+](C)C1(CNC(=O)CCc2ncc(-c3ccccc3F)o2)CCCCCC1 ZINC000058574140 823411813 /nfs/dbraw/zinc/41/18/13/823411813.db2.gz QXRMMAPUDXMRTF-UHFFFAOYSA-N 1 0 387.499 4.184 20 0 GIADRO COc1cncc(/C=C/CC[NH2+][C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)c1 ZINC000572873894 823412232 /nfs/dbraw/zinc/41/22/32/823412232.db2.gz KZJDMOWWVMIMFV-CSPWOOARSA-N 1 0 382.439 4.342 20 0 GIADRO Cc1cc(C)cc(OCCC[N@@H+](C)C2CCN(CCc3ccccn3)CC2)c1 ZINC000177260034 823412332 /nfs/dbraw/zinc/41/23/32/823412332.db2.gz ZPHFZCCHJNPSKS-UHFFFAOYSA-N 1 0 381.564 4.106 20 0 GIADRO C[C@@H]([NH2+]Cc1cc2c(cc1Cl)OCCO2)c1ccc(NC(=O)C2CC2)cc1 ZINC000572879090 823412900 /nfs/dbraw/zinc/41/29/00/823412900.db2.gz PIIVSJUOIBTJQG-CYBMUJFWSA-N 1 0 386.879 4.311 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000122768846 823409030 /nfs/dbraw/zinc/40/90/30/823409030.db2.gz ALDYWKKIWTYFER-CYFREDJKSA-N 1 0 391.515 4.287 20 0 GIADRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)Nc1nc2ccccc2s1 ZINC000410169930 823409284 /nfs/dbraw/zinc/40/92/84/823409284.db2.gz IVKPUGYTAWKTMO-UHFFFAOYSA-N 1 0 380.517 4.330 20 0 GIADRO Cc1nc(CCC(=O)NC2CC[NH+](C3CCCCC3)CC2)oc1-c1ccccc1 ZINC000177248527 823409422 /nfs/dbraw/zinc/40/94/22/823409422.db2.gz FRWMKCCELOPHKX-UHFFFAOYSA-N 1 0 395.547 4.496 20 0 GIADRO O=C(CCc1ccccc1OC(F)(F)F)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177254419 823410612 /nfs/dbraw/zinc/41/06/12/823410612.db2.gz GSJUJSGMPNNYEW-UHFFFAOYSA-N 1 0 398.469 4.431 20 0 GIADRO CCN(Cc1ccccn1)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000177266495 823414591 /nfs/dbraw/zinc/41/45/91/823414591.db2.gz YAAHFINJWFCPPF-IBGZPJMESA-N 1 0 380.536 4.188 20 0 GIADRO CCN(C(=O)Nc1ccccc1CCOC)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000189432936 823414724 /nfs/dbraw/zinc/41/47/24/823414724.db2.gz PRMXXSOLZNSIIR-OAQYLSRUSA-N 1 0 381.520 4.004 20 0 GIADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](CN(C)C)c2ccc(F)cc2)c2ccccc21 ZINC000572890984 823414826 /nfs/dbraw/zinc/41/48/26/823414826.db2.gz QOHIEEWHIKYTRZ-FSSWDIPSSA-N 1 0 384.495 4.200 20 0 GIADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CC2(CCOCC2)c2ccccc21 ZINC000189433881 823415164 /nfs/dbraw/zinc/41/51/64/823415164.db2.gz GJKHISCTSWPBDG-UHFFFAOYSA-N 1 0 397.563 4.062 20 0 GIADRO CC[C@@H]1CN(C(=O)Nc2ccccc2CCOC)CC[N@@H+]1Cc1ccccc1 ZINC000189448321 823419124 /nfs/dbraw/zinc/41/91/24/823419124.db2.gz UNUSBKJMLQWDQX-OAQYLSRUSA-N 1 0 381.520 4.004 20 0 GIADRO COc1cc(C[N@H+](C)Cc2ccc(Br)cc2)cc(OC)c1OC ZINC000122803334 823415375 /nfs/dbraw/zinc/41/53/75/823415375.db2.gz AAOKIJNMWMIEJW-UHFFFAOYSA-N 1 0 380.282 4.107 20 0 GIADRO Cc1noc2nc(-c3ccc(C)cc3)cc(C(=O)N(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)c12 ZINC000122807395 823415717 /nfs/dbraw/zinc/41/57/17/823415717.db2.gz CHRLRSRNUNMHRE-CRAIPNDOSA-N 1 0 392.503 4.061 20 0 GIADRO Cc1noc2nc(-c3ccc(C)cc3)cc(C(=O)N(C)[C@H]3CC[N@H+](C)[C@H](C)C3)c12 ZINC000122807638 823415794 /nfs/dbraw/zinc/41/57/94/823415794.db2.gz CHRLRSRNUNMHRE-QAPCUYQASA-N 1 0 392.503 4.061 20 0 GIADRO CC[N@H+](CCC1CCN(C(=O)c2cncnc2-c2ccccc2)CC1)CC(C)C ZINC000572895461 823416159 /nfs/dbraw/zinc/41/61/59/823416159.db2.gz ZDHDMDVKBMDGJG-UHFFFAOYSA-N 1 0 394.563 4.364 20 0 GIADRO C[C@H]([NH2+]C1(c2ccc(Cl)cc2)CCC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177271470 823416620 /nfs/dbraw/zinc/41/66/20/823416620.db2.gz LUGDFRGLJZZCEY-HNNXBMFYSA-N 1 0 392.952 4.320 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)N[C@H](Cc2ccccc2C(F)(F)F)C(C)(C)C)CC[N@@H+]1C ZINC000460525224 823419257 /nfs/dbraw/zinc/41/92/57/823419257.db2.gz IHJGHUJERQFULB-QGPMSJSTSA-N 1 0 399.501 4.445 20 0 GIADRO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N(CCC(F)(F)F)CC1CC1 ZINC000177274580 823417626 /nfs/dbraw/zinc/41/76/26/823417626.db2.gz GNXIUHIISVDNAL-GOSISDBHSA-N 1 0 383.458 4.025 20 0 GIADRO Clc1ccc(N2CC[C@H]([NH2+]C3CCN(c4nccs4)CC3)C2)c(Cl)c1 ZINC000189444742 823417863 /nfs/dbraw/zinc/41/78/63/823417863.db2.gz QXLQSPLWEPYIGG-HNNXBMFYSA-N 1 0 397.375 4.287 20 0 GIADRO FC(F)(F)CN1CCC([NH2+][C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)CC1 ZINC000189445607 823418218 /nfs/dbraw/zinc/41/82/18/823418218.db2.gz FGTKJOKEYAQWFL-CQSZACIVSA-N 1 0 396.284 4.188 20 0 GIADRO Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC000572910752 823418473 /nfs/dbraw/zinc/41/84/73/823418473.db2.gz UDMRZNYNVUNTTR-FGZHOGPDSA-N 1 0 377.532 4.449 20 0 GIADRO CCOc1ccccc1[C@@H](CC)[NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177276989 823418591 /nfs/dbraw/zinc/41/85/91/823418591.db2.gz PFIJBDISFMDVTJ-OXQOHEQNSA-N 1 0 390.549 4.138 20 0 GIADRO CCOc1ccc(NC(=O)C[NH2+][C@@H](C)c2cccc(Br)c2)cc1 ZINC000410221040 823423822 /nfs/dbraw/zinc/42/38/22/823423822.db2.gz SLXIOYOWXGYGLQ-ZDUSSCGKSA-N 1 0 377.282 4.137 20 0 GIADRO COc1ccc(C[NH2+][C@@H](C)c2cccc(Br)c2)cc1NC(C)=O ZINC000410224103 823424889 /nfs/dbraw/zinc/42/48/89/823424889.db2.gz JYPGTUHHSZTBLU-LBPRGKRZSA-N 1 0 377.282 4.267 20 0 GIADRO COc1ccc(F)c2[nH]c(-c3nc(-c4ccc(F)c(C[NH+](C)C)c4)no3)cc21 ZINC000572919603 823419737 /nfs/dbraw/zinc/41/97/37/823419737.db2.gz VIGUZGYCBSTOIA-UHFFFAOYSA-N 1 0 384.386 4.233 20 0 GIADRO Cc1cc(C)c(N2CC[C@@H]([NH2+][C@@H](C)CC(=O)Nc3ccccc3C)C2=O)c(C)c1 ZINC000189454112 823420403 /nfs/dbraw/zinc/42/04/03/823420403.db2.gz CICGACFDVAXBCI-PZJWPPBQSA-N 1 0 393.531 4.032 20 0 GIADRO COc1ccc(C[C@@](C)(O)C[NH2+][C@H](C)c2ccc(Cl)c(F)c2)cc1OC ZINC000572924739 823420637 /nfs/dbraw/zinc/42/06/37/823420637.db2.gz CNZFAFKAXFCBAE-ZUOKHONESA-N 1 0 381.875 4.141 20 0 GIADRO C[C@@H]([NH2+][C@H](CCO)C1CCOCC1)c1ccc(-c2c(F)cccc2F)cc1 ZINC000572924880 823420753 /nfs/dbraw/zinc/42/07/53/823420753.db2.gz KKGBXCFRUNSQCY-QVKFZJNVSA-N 1 0 375.459 4.460 20 0 GIADRO Cc1ccc(-c2nc(C[NH2+]CC3CCN(CC(F)(F)F)CC3)cs2)cc1 ZINC000189458905 823421365 /nfs/dbraw/zinc/42/13/65/823421365.db2.gz IOVMQWJQRANXPW-UHFFFAOYSA-N 1 0 383.483 4.482 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1cccc(NC(=O)c2ccco2)c1 ZINC000177301860 823426808 /nfs/dbraw/zinc/42/68/08/823426808.db2.gz APXQFJQOVZOQBJ-UHFFFAOYSA-N 1 0 377.444 4.154 20 0 GIADRO CC(C)(C)OC(=O)N1CCC([NH2+]CCc2coc(-c3ccc(F)cc3)n2)CC1 ZINC000177303542 823427037 /nfs/dbraw/zinc/42/70/37/823427037.db2.gz QTYBHHBDPSXQDV-UHFFFAOYSA-N 1 0 389.471 4.012 20 0 GIADRO C[C@H]1C[C@H](NC(=O)c2cc(O)ccc2C(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000189483765 823427499 /nfs/dbraw/zinc/42/74/99/823427499.db2.gz REDGULXCQNZUBT-GOEBONIOSA-N 1 0 392.421 4.194 20 0 GIADRO COC(=O)c1ccc([C@H](C)[NH2+][C@@H]2CCN(C(C)C)[C@H]2c2ccc(F)c(F)c2)o1 ZINC000572970739 823428318 /nfs/dbraw/zinc/42/83/18/823428318.db2.gz UGSIXBOMGGQPTA-ZLXGRDSLSA-N 1 0 392.446 4.219 20 0 GIADRO CC[C@@H]([NH2+][C@H](C)CC(=O)Nc1cc(OC)ccc1OC)c1ccc(OC)cc1 ZINC000122893059 823430003 /nfs/dbraw/zinc/43/00/03/823430003.db2.gz WUKWXUSPVJRAKT-DNVCBOLYSA-N 1 0 386.492 4.170 20 0 GIADRO CC(C)(C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)c1ccc2c(c1)OCCO2 ZINC000058698709 823434472 /nfs/dbraw/zinc/43/44/72/823434472.db2.gz FKDPPQIQTFIPCS-UHFFFAOYSA-N 1 0 394.515 4.012 20 0 GIADRO CC(C)(C)OC(=O)N1CC=C(C[NH2+]Cc2ccc(CSC(F)F)o2)CC1 ZINC000189497554 823431100 /nfs/dbraw/zinc/43/11/00/823431100.db2.gz JCIYWAVXZFZTHM-UHFFFAOYSA-N 1 0 388.480 4.392 20 0 GIADRO CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+]Cc1cccnc1 ZINC000122901494 823431270 /nfs/dbraw/zinc/43/12/70/823431270.db2.gz HQMJFMVJLPHKCO-UHFFFAOYSA-N 1 0 385.309 4.443 20 0 GIADRO Cc1cc(Br)cc(Cl)c1C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000573003366 823432070 /nfs/dbraw/zinc/43/20/70/823432070.db2.gz LXSPIKXMEXBPDA-GFCCVEGCSA-N 1 0 387.749 4.213 20 0 GIADRO CCN(CCC[NH+]1CCCC1)C(=O)Nc1cccc(Cn2ccnc2C(C)C)c1 ZINC000189501524 823432203 /nfs/dbraw/zinc/43/22/03/823432203.db2.gz FLLIYLIVUBKFNO-UHFFFAOYSA-N 1 0 397.567 4.395 20 0 GIADRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cncc(C(F)(F)F)c1 ZINC000573010129 823433000 /nfs/dbraw/zinc/43/30/00/823433000.db2.gz LPZAQCXYMPKSDE-GOSISDBHSA-N 1 0 391.437 4.131 20 0 GIADRO C[NH+](C)Cc1ccccc1NC(=O)c1ccc(NC(=O)c2cccs2)cc1 ZINC000024643188 819858893 /nfs/dbraw/zinc/85/88/93/819858893.db2.gz FZBZIWMBZFRLHH-UHFFFAOYSA-N 1 0 379.485 4.314 20 0 GIADRO O=C(NC1CC1)[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000024666201 819862181 /nfs/dbraw/zinc/86/21/81/819862181.db2.gz RTOXFYWBFCFYFO-DYESRHJHSA-N 1 0 375.472 4.027 20 0 GIADRO O=C(Nc1cccc(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)c1)C1CCCCC1 ZINC000177324741 823434159 /nfs/dbraw/zinc/43/41/59/823434159.db2.gz JATKAONGFJQWEQ-NRFANRHFSA-N 1 0 398.551 4.298 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)CCC(=O)CCC(=O)c1cccs1 ZINC000177325088 823434205 /nfs/dbraw/zinc/43/42/05/823434205.db2.gz IEFGGCDRXCTRCR-UHFFFAOYSA-N 1 0 386.517 4.069 20 0 GIADRO CCC[N@H+](CC)C[C@H](C)NC(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000573023352 823435131 /nfs/dbraw/zinc/43/51/31/823435131.db2.gz LSVZXPDLDWINCY-KRWDZBQOSA-N 1 0 382.508 4.181 20 0 GIADRO CCC[N@H+](CC(=O)Nc1cccc(C(=O)N(CC)CC)c1)Cc1ccccc1 ZINC000024820648 819881182 /nfs/dbraw/zinc/88/11/82/819881182.db2.gz CTIBFJIBDAQZGL-UHFFFAOYSA-N 1 0 381.520 4.019 20 0 GIADRO CC1CC[NH+](Cc2ccc(CNC(=O)CCOc3ccc(F)cc3)cc2)CC1 ZINC000025006655 819907321 /nfs/dbraw/zinc/90/73/21/819907321.db2.gz VLOAEDSBQVXABE-UHFFFAOYSA-N 1 0 384.495 4.143 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc(SC(F)F)cc1 ZINC000025073030 819920775 /nfs/dbraw/zinc/92/07/75/819920775.db2.gz VSGPEKZXMAKGLY-UHFFFAOYSA-N 1 0 391.487 4.314 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=S)NCc1cccs1)c1ccccc1Cl ZINC000058720621 823438666 /nfs/dbraw/zinc/43/86/66/823438666.db2.gz VVJHMJRFWXIXMU-KRWDZBQOSA-N 1 0 381.998 4.449 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)c2cccc(NC(=O)C3CCCCC3)c2)c1 ZINC000025148154 819935774 /nfs/dbraw/zinc/93/57/74/819935774.db2.gz ODKHTMOFBBEGEK-UHFFFAOYSA-N 1 0 393.531 4.197 20 0 GIADRO CCN(C(=O)[C@@H](C)[NH2+][C@H]1c2ccccc2CC12CCOCC2)C1CCCCC1 ZINC000573048050 823439821 /nfs/dbraw/zinc/43/98/21/823439821.db2.gz MIZDLMPIYYKNTL-GCJKJVERSA-N 1 0 384.564 4.240 20 0 GIADRO COc1cccc([C@H]2[C@@H](NC(=O)Nc3ccc4[nH]ccc4c3)CC[N@@H+]2C2CC2)c1 ZINC000189544481 823440978 /nfs/dbraw/zinc/44/09/78/823440978.db2.gz DUNRHGMZFLTSPD-VXKWHMMOSA-N 1 0 390.487 4.276 20 0 GIADRO CCOc1cc(C[NH2+][C@@H]2CCCc3ccccc32)ccc1O[C@@H](C)C(=O)N(C)C ZINC000025259705 819952127 /nfs/dbraw/zinc/95/21/27/819952127.db2.gz WIRPGKFPLRWYGK-LAUBAEHRSA-N 1 0 396.531 4.108 20 0 GIADRO CC(C)(C)OC(=O)N1CCC([NH2+]C[C@@H](O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000177345894 823441183 /nfs/dbraw/zinc/44/11/83/823441183.db2.gz MVRHQOUQSROAPF-LJQANCHMSA-N 1 0 376.541 4.007 20 0 GIADRO C/C(=C\c1cccc(Cl)c1)C(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000122965652 823441241 /nfs/dbraw/zinc/44/12/41/823441241.db2.gz ITXHWXZFNAEWIZ-FBMGVBCBSA-N 1 0 397.950 4.304 20 0 GIADRO CC(=O)c1ccc(-c2ccc(C(=O)NC[C@@H](c3ccsc3)[NH+](C)C)o2)cc1 ZINC000025329708 819963806 /nfs/dbraw/zinc/96/38/06/819963806.db2.gz NMFGQFLBXCWHMW-SFHVURJKSA-N 1 0 382.485 4.243 20 0 GIADRO CC(C)c1cc(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c2cnn(C(C)C)c2n1 ZINC000025330667 819963825 /nfs/dbraw/zinc/96/38/25/819963825.db2.gz NLHCATHJQGDSGC-IBGZPJMESA-N 1 0 399.564 4.230 20 0 GIADRO Cc1cccc(-c2nc(CC(=O)NC[C@@H](c3ccsc3)[NH+](C)C)cs2)c1 ZINC000025330784 819963938 /nfs/dbraw/zinc/96/39/38/819963938.db2.gz CIEDLEHMBASXJJ-SFHVURJKSA-N 1 0 385.558 4.142 20 0 GIADRO C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1ccc(Cl)cc1NC(=O)c1ccco1 ZINC000573091752 823446292 /nfs/dbraw/zinc/44/62/92/823446292.db2.gz WBOADLGSGOOOCK-OAHLLOKOSA-N 1 0 377.872 4.148 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1cc2cc(Br)ccc2[nH]1)c1ccsc1 ZINC000025332371 819965617 /nfs/dbraw/zinc/96/56/17/819965617.db2.gz NBXBMXSRYNMYDD-MRXNPFEDSA-N 1 0 392.322 4.025 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1cc(Cl)ccc1Br)c1ccsc1 ZINC000025332454 819965630 /nfs/dbraw/zinc/96/56/30/819965630.db2.gz HYLSYIDNDWYHHU-AWEZNQCLSA-N 1 0 387.730 4.197 20 0 GIADRO Cc1ccc(C(=O)CCC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1C ZINC000025383652 819973697 /nfs/dbraw/zinc/97/36/97/819973697.db2.gz BMJABGBWFVJRGM-LJQANCHMSA-N 1 0 384.545 4.281 20 0 GIADRO Cc1cc(-c2nc3ccc(F)cc3n2C(C)C)ccc1NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000573093516 823446372 /nfs/dbraw/zinc/44/63/72/823446372.db2.gz GMQSPBQYQZXGCZ-WOVMCDHWSA-N 1 0 380.467 4.408 20 0 GIADRO CC(C)(C)OC(=O)N1CCC([NH2+]C[C@H](O)c2c(Cl)cccc2Cl)CC1 ZINC000177365847 823446407 /nfs/dbraw/zinc/44/64/07/823446407.db2.gz IGNYRVKJUMDXCK-HNNXBMFYSA-N 1 0 389.323 4.016 20 0 GIADRO O=C(c1ccc(-c2ccccc2OC(F)(F)F)o1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000189554273 823442736 /nfs/dbraw/zinc/44/27/36/823442736.db2.gz VKPOXKAHCPUBHI-CQSZACIVSA-N 1 0 394.393 4.156 20 0 GIADRO COc1ccccc1CC[NH2+][C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000025427101 819978461 /nfs/dbraw/zinc/97/84/61/819978461.db2.gz NSKHLPSDUMYSPI-QFIPXVFZSA-N 1 0 378.447 4.346 20 0 GIADRO Cc1cccc(-c2nc(CC(=O)NCC3([NH+](C)C)CCCCCC3)cs2)c1 ZINC000025443603 819981471 /nfs/dbraw/zinc/98/14/71/819981471.db2.gz BYFXNYKXLBUDCE-UHFFFAOYSA-N 1 0 385.577 4.432 20 0 GIADRO Cc1[nH]c2c(cccc2C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)c1C ZINC000025465042 819986582 /nfs/dbraw/zinc/98/65/82/819986582.db2.gz UIFFBYMGSANGTN-UHFFFAOYSA-N 1 0 375.516 4.351 20 0 GIADRO C[C@@H](Oc1ccccc1Cl)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000025465167 819986781 /nfs/dbraw/zinc/98/67/81/819986781.db2.gz KNPHPUBQGWZEKH-MRXNPFEDSA-N 1 0 386.923 4.060 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)COc1ccc(Cl)c2cccnc12 ZINC000177354805 823443492 /nfs/dbraw/zinc/44/34/92/823443492.db2.gz RJKWGAURNTZOMF-UHFFFAOYSA-N 1 0 383.879 4.276 20 0 GIADRO CC(=O)c1ccc(NC(=O)CC[N@@H+](C)Cc2ccccc2C(F)(F)F)cc1 ZINC000025533305 819998396 /nfs/dbraw/zinc/99/83/96/819998396.db2.gz FGIBSUZIFPIVCA-UHFFFAOYSA-N 1 0 378.394 4.369 20 0 GIADRO CC(C)[C@@H](CNC(=O)C1(c2ccc(F)cc2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000025541167 820000583 /nfs/dbraw/zinc/00/05/83/820000583.db2.gz YHLVKFGQXILHML-JOCHJYFZSA-N 1 0 380.507 4.056 20 0 GIADRO CC[NH2+]Cc1cccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2OC(F)(F)F)c1 ZINC000122991577 823444879 /nfs/dbraw/zinc/44/48/79/823444879.db2.gz DRAYRYXZQCCAMG-SJORKVTESA-N 1 0 378.394 4.437 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C1CCN(Cc2ccccc2)CC1)CC3 ZINC000123002017 823446694 /nfs/dbraw/zinc/44/66/94/823446694.db2.gz GYNAJDQKRWEJBD-HXUWFJFHSA-N 1 0 389.543 4.288 20 0 GIADRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)Nc1cccc(COCCc2ccccc2)c1 ZINC000573079207 823444947 /nfs/dbraw/zinc/44/49/47/823444947.db2.gz RMHGSUACGUXUJH-IBGZPJMESA-N 1 0 383.536 4.296 20 0 GIADRO CCOc1cc(C[NH2+][C@H](C)c2ccncc2OC)ccc1OCC(F)(F)F ZINC000189564492 823445143 /nfs/dbraw/zinc/44/51/43/823445143.db2.gz BPXRTNOSKOZHLD-CYBMUJFWSA-N 1 0 384.398 4.281 20 0 GIADRO COCCc1ccccc1NC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000189565388 823445269 /nfs/dbraw/zinc/44/52/69/823445269.db2.gz JAQBZRDDJOUROZ-IBGZPJMESA-N 1 0 381.520 4.004 20 0 GIADRO COc1ccc(-c2cc(C[N@H+](C)[C@H](C)c3ccc(-n4cncn4)cc3)on2)cc1 ZINC000025816193 820028625 /nfs/dbraw/zinc/02/86/25/820028625.db2.gz AZKFCIOJWHOMTG-MRXNPFEDSA-N 1 0 389.459 4.124 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)C12CC3CC(CC(C3)C1)C2)c1cccc(OC)c1 ZINC000025858773 820032066 /nfs/dbraw/zinc/03/20/66/820032066.db2.gz ZUXQWLSIIQWMLU-SOSWSAFESA-N 1 0 384.564 4.411 20 0 GIADRO CC[NH+]1CCC(NC(=O)c2cn(-c3ccccc3)nc2-c2cccc(C)c2)CC1 ZINC000025877995 820034144 /nfs/dbraw/zinc/03/41/44/820034144.db2.gz VBFAKLGHMZPKQJ-UHFFFAOYSA-N 1 0 388.515 4.062 20 0 GIADRO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000573100721 823447482 /nfs/dbraw/zinc/44/74/82/823447482.db2.gz IOCNIIKOVVATHO-SPEDKVCISA-N 1 0 377.532 4.275 20 0 GIADRO CCCOc1ccc([C@H](C)[NH2+]Cc2cc3ccccc3n(C)c2=O)cc1OC ZINC000573101888 823447858 /nfs/dbraw/zinc/44/78/58/823447858.db2.gz PSGISOBKFICUQM-INIZCTEOSA-N 1 0 380.488 4.187 20 0 GIADRO O=C(CC[NH+]1CCC([C@@H](O)c2ccccc2)CC1)Nc1ccc(Cl)cc1F ZINC000025938335 820042331 /nfs/dbraw/zinc/04/23/31/820042331.db2.gz ZYYBRIFYGVHDIS-NRFANRHFSA-N 1 0 390.886 4.253 20 0 GIADRO C[C@H]1CCN(C(=O)CSc2cccc(C(F)(F)F)c2)C[C@H]1n1ccnc1 ZINC000123049018 823453294 /nfs/dbraw/zinc/45/32/94/823453294.db2.gz CVBZEOWAOOMHDQ-XJKSGUPXSA-N 1 0 383.439 4.104 20 0 GIADRO C[C@H]([NH2+][C@H]1CCCc2cc(OC(F)F)ccc21)c1ccc(S(C)(=O)=O)cc1 ZINC000123018085 823448919 /nfs/dbraw/zinc/44/89/19/823448919.db2.gz GKSSLEIRJJARJG-DJJJIMSYSA-N 1 0 395.471 4.420 20 0 GIADRO COc1ccc(S(=O)(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)cc1 ZINC000026094000 820056875 /nfs/dbraw/zinc/05/68/75/820056875.db2.gz UJPIZXFDUZYPKC-UHFFFAOYSA-N 1 0 388.533 4.261 20 0 GIADRO O[C@@H](COc1ccccc1F)C[N@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000026101189 820057337 /nfs/dbraw/zinc/05/73/37/820057337.db2.gz UTMAZBGXPBKMHR-IRLDBZIGSA-N 1 0 377.459 4.213 20 0 GIADRO CC(C)Oc1ccc([C@H](C)[NH2+][C@H](C)Cn2cc(Br)ccc2=O)cc1 ZINC000573113235 823449573 /nfs/dbraw/zinc/44/95/73/823449573.db2.gz RRZSWOIIMWVFQC-CABCVRRESA-N 1 0 393.325 4.137 20 0 GIADRO Cc1nc(-c2ccc(CNC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)s2)cs1 ZINC000026180171 820067807 /nfs/dbraw/zinc/06/78/07/820067807.db2.gz HCDJVHSRMUKUGS-UHFFFAOYSA-N 1 0 392.594 4.288 20 0 GIADRO CCOc1ccc(C[N@H+](C)[C@H](C)C(=O)N(C)Cc2nc3ccccc3s2)cc1 ZINC000026189224 820067992 /nfs/dbraw/zinc/06/79/92/820067992.db2.gz BJHYKRUDSVUEHY-MRXNPFEDSA-N 1 0 397.544 4.174 20 0 GIADRO CCOc1ccc(C[N@H+](C)[C@@H](C)C(=O)N(C)Cc2nc3ccccc3s2)cc1 ZINC000026189221 820068105 /nfs/dbraw/zinc/06/81/05/820068105.db2.gz BJHYKRUDSVUEHY-INIZCTEOSA-N 1 0 397.544 4.174 20 0 GIADRO CC(=O)Nc1ccccc1C[NH2+]Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2 ZINC000189580137 823450363 /nfs/dbraw/zinc/45/03/63/823450363.db2.gz BIDSXFAIKQGAGH-UHFFFAOYSA-N 1 0 395.503 4.186 20 0 GIADRO Clc1cc(C[NH2+]C[C@@H](c2ccco2)N2CCCCC2)cc2c1OCCCO2 ZINC000026306651 820080028 /nfs/dbraw/zinc/08/00/28/820080028.db2.gz RRIXEUSIBJXYOE-SFHVURJKSA-N 1 0 390.911 4.411 20 0 GIADRO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]C[C@@H](c1ccco1)N1CCCC1 ZINC000026308054 820080668 /nfs/dbraw/zinc/08/06/68/820080668.db2.gz DWTUZRYXPMFUQQ-QHCPKHFHSA-N 1 0 392.547 4.376 20 0 GIADRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cc(C)c(C)cc2C)cc1 ZINC000026311762 820081594 /nfs/dbraw/zinc/08/15/94/820081594.db2.gz SUAHDRQUEHCKPJ-LJQANCHMSA-N 1 0 388.577 4.493 20 0 GIADRO COc1ccc(C[NH+]2CCC(NC(=O)c3ccccc3)CC2)cc1OCC(C)C ZINC000123036959 823451386 /nfs/dbraw/zinc/45/13/86/823451386.db2.gz DWAFRHLRCCDXPC-UHFFFAOYSA-N 1 0 396.531 4.124 20 0 GIADRO Cc1ccccc1CNC(=O)[C@H](C)[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000026369963 820090722 /nfs/dbraw/zinc/09/07/22/820090722.db2.gz BIIWILSRRXWCGJ-KRWDZBQOSA-N 1 0 393.556 4.489 20 0 GIADRO C[C@@H](NC(=O)NC[C@H](c1ccsc1)[NH+](C)C)c1ccc(Br)cc1 ZINC000026392403 820093503 /nfs/dbraw/zinc/09/35/03/820093503.db2.gz PZAZBAXJGSHNMR-MLGOLLRUSA-N 1 0 396.354 4.174 20 0 GIADRO COCC[N@H+](CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C1CCCC1 ZINC000026447286 820097729 /nfs/dbraw/zinc/09/77/29/820097729.db2.gz ZYFOPWBWEBDNTC-UHFFFAOYSA-N 1 0 378.822 4.188 20 0 GIADRO C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000026485668 820103786 /nfs/dbraw/zinc/10/37/86/820103786.db2.gz OPZCDLKAEODSNZ-MAUKXSAKSA-N 1 0 383.517 4.039 20 0 GIADRO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000123082521 823459227 /nfs/dbraw/zinc/45/92/27/823459227.db2.gz IOBMNNBPJRRDGG-NRFANRHFSA-N 1 0 387.886 4.164 20 0 GIADRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)/C=C/c1ccc(Cl)nc1 ZINC000123056140 823454591 /nfs/dbraw/zinc/45/45/91/823454591.db2.gz RVMVMDPHHVIKMX-FNORWQNLSA-N 1 0 387.936 4.244 20 0 GIADRO CCCN(C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000573145023 823454851 /nfs/dbraw/zinc/45/48/51/823454851.db2.gz KHDNEBBLGNKXGF-CBPXPLCBSA-N 1 0 399.579 4.059 20 0 GIADRO COc1ccc2ccc(O)c(C[NH+]3CCN(C(=O)CCC4CCCC4)CC3)c2c1 ZINC000026629149 820125412 /nfs/dbraw/zinc/12/54/12/820125412.db2.gz GTFVSAZPIYRSTG-UHFFFAOYSA-N 1 0 396.531 4.169 20 0 GIADRO Cc1ccc(C(=O)C2CC[NH+](CCC(=O)Nc3cccc(F)c3)CC2)c(C)c1 ZINC000026644233 820128194 /nfs/dbraw/zinc/12/81/94/820128194.db2.gz VHJJGCJHUGXMRU-UHFFFAOYSA-N 1 0 382.479 4.366 20 0 GIADRO O[C@]1(C[NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)CCC[C@@H](C(F)(F)F)C1 ZINC000189598105 823455203 /nfs/dbraw/zinc/45/52/03/823455203.db2.gz TUAFQRUICAUJIG-RHSMWYFYSA-N 1 0 387.833 4.099 20 0 GIADRO c1cn(Cc2ccccc2)c(CN2CC[NH+](Cc3cccc4ccccc43)CC2)n1 ZINC000026907113 820161998 /nfs/dbraw/zinc/16/19/98/820161998.db2.gz LXTHRSXHSQKBRD-UHFFFAOYSA-N 1 0 396.538 4.402 20 0 GIADRO COCCn1c(C)c(C)c2cc(C(=O)NC3CC[NH+](C4CCCC4)CC3)ccc21 ZINC000177416963 823457525 /nfs/dbraw/zinc/45/75/25/823457525.db2.gz KQNZQPNABRJBJE-UHFFFAOYSA-N 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ZINC000027032631 820183192 /nfs/dbraw/zinc/18/31/92/820183192.db2.gz QPPWDBZTVZIBGE-IFMALSPDSA-N 1 0 376.431 4.099 20 0 GIADRO COc1ccc([C@H](O)C[NH2+]Cc2c(C)nn(Cc3ccc(Cl)cc3)c2C)cc1 ZINC000123083218 823459205 /nfs/dbraw/zinc/45/92/05/823459205.db2.gz DRLYTTFMHOYUCG-JOCHJYFZSA-N 1 0 399.922 4.033 20 0 GIADRO C=CCNC(=S)C(C(=O)c1cc2ccccc2o1)[n+]1ccc(CCC)cc1 ZINC000027059577 820187160 /nfs/dbraw/zinc/18/71/60/820187160.db2.gz WQWYPTAVFLIHFS-UHFFFAOYSA-O 1 0 379.505 4.387 20 0 GIADRO CC(C)Cn1c(C2CC2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000460626413 823460087 /nfs/dbraw/zinc/46/00/87/823460087.db2.gz DPLRSBSWZQFMFF-WIYYLYMNSA-N 1 0 381.568 4.301 20 0 GIADRO [NH3+][C@@H]1CCCC[C@H]1CC(=O)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000573203676 823464815 /nfs/dbraw/zinc/46/48/15/823464815.db2.gz QHCWUZAXDXCSAH-UAGQMJEPSA-N 1 0 387.524 4.350 20 0 GIADRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)N1CCC[C@@H]1c1ccsc1 ZINC000410311978 823460103 /nfs/dbraw/zinc/46/01/03/823460103.db2.gz LDXGXEGGPNFQFI-OAQYLSRUSA-N 1 0 383.561 4.302 20 0 GIADRO CC[C@@H](NC(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1ccc(C)cc1 ZINC000410312988 823460154 /nfs/dbraw/zinc/46/01/54/823460154.db2.gz IQSAHIDDPOYTBI-HSZRJFAPSA-N 1 0 379.548 4.452 20 0 GIADRO C[C@H](NC(=O)NCc1ccc(C[NH+](C)C)c(F)c1)c1ccc(C(F)(F)F)cc1 ZINC000573175259 823460702 /nfs/dbraw/zinc/46/07/02/823460702.db2.gz ZSDZVHUOQFTANQ-ZDUSSCGKSA-N 1 0 397.416 4.467 20 0 GIADRO C[C@H](Cc1ccccc1)[NH+]1CCC(Nc2ccc3c(c2)N(C(N)=O)CCC3)CC1 ZINC000573175507 823460740 /nfs/dbraw/zinc/46/07/40/823460740.db2.gz ZYVSOYJPSVGSMT-GOSISDBHSA-N 1 0 392.547 4.025 20 0 GIADRO COc1ccccc1C(=O)C(C(=S)Nc1ccc(F)cc1)[n+]1cccc(C)c1 ZINC000027194117 820208549 /nfs/dbraw/zinc/20/85/49/820208549.db2.gz UPWGXYISYPTNGF-UHFFFAOYSA-O 1 0 395.479 4.481 20 0 GIADRO O=C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177435437 823461603 /nfs/dbraw/zinc/46/16/03/823461603.db2.gz JJWUOHDJORBFLX-NZQKXSOJSA-N 1 0 399.579 4.251 20 0 GIADRO CNC(=S)C(C(=O)c1ccc(OC)c(Cl)c1)[n+]1ccc(C(C)(C)C)cc1 ZINC000027301058 820222677 /nfs/dbraw/zinc/22/26/77/820222677.db2.gz ISLARXFNMMMEQZ-UHFFFAOYSA-O 1 0 391.944 4.092 20 0 GIADRO C=C(C)CNC(=S)C(C(=O)c1ccc(OC)c(Cl)c1)[n+]1ccc(C)cc1 ZINC000027310394 820223151 /nfs/dbraw/zinc/22/31/51/820223151.db2.gz VMJCLGAEEFTNIG-UHFFFAOYSA-O 1 0 389.928 4.049 20 0 GIADRO Cc1ccc(-c2cnc(CCC(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)o2)cc1 ZINC000027335893 820226514 /nfs/dbraw/zinc/22/65/14/820226514.db2.gz VMKALDZSQJRMRU-LJQANCHMSA-N 1 0 393.487 4.129 20 0 GIADRO COc1cccc([C@H](CNC(=O)[C@@H](C)Sc2ccc(C)cc2)[NH+]2CCCC2)c1 ZINC000027341295 820227576 /nfs/dbraw/zinc/22/75/76/820227576.db2.gz HBOILPXIJAOPPT-GCJKJVERSA-N 1 0 398.572 4.438 20 0 GIADRO COc1cccc([C@H](CNC(=O)c2csc3ccccc23)[NH+]2CCCC2)c1 ZINC000027342677 820227938 /nfs/dbraw/zinc/22/79/38/820227938.db2.gz RPHAKBLEPCRCSD-FQEVSTJZSA-N 1 0 380.513 4.477 20 0 GIADRO Cc1nc(CSc2ccc(C(=O)N[C@@H]3CCC[C@@H]([NH+](C)C)C3)cc2)cs1 ZINC000177444343 823463152 /nfs/dbraw/zinc/46/31/52/823463152.db2.gz OKBRGEWACWOQGY-SJLPKXTDSA-N 1 0 389.590 4.346 20 0 GIADRO COc1cccc(OC)c1OC1CC[NH+](CCCCC2CCOCC2)CC1 ZINC000410324230 823463277 /nfs/dbraw/zinc/46/32/77/823463277.db2.gz BPAQHVGRUGLPNT-UHFFFAOYSA-N 1 0 377.525 4.144 20 0 GIADRO Cc1ccc(C(=O)CCC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)cc1C ZINC000027388289 820237227 /nfs/dbraw/zinc/23/72/27/820237227.db2.gz YFBIHMRIOTTWJX-UHFFFAOYSA-N 1 0 392.543 4.309 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)Nc2cnn([C@@H](C)C3CC3)c2)CC1 ZINC000189633942 823463525 /nfs/dbraw/zinc/46/35/25/823463525.db2.gz DQUJQRMISHFMAR-IRXDYDNUSA-N 1 0 381.524 4.201 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1)c1ccc(F)cc1 ZINC000027442024 820244498 /nfs/dbraw/zinc/24/44/98/820244498.db2.gz DWINZDNKVLBKKE-UHFFFAOYSA-N 1 0 380.385 4.239 20 0 GIADRO COc1cc(CN2CCC([NH2+]CC3CC3)CC2)ccc1OCc1ccccc1 ZINC000573207014 823465304 /nfs/dbraw/zinc/46/53/04/823465304.db2.gz YTLGPPSTLHSORT-UHFFFAOYSA-N 1 0 380.532 4.238 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)c1ccc(OC(C)C)cc1)[NH+]1CCCC1 ZINC000027570371 820260512 /nfs/dbraw/zinc/26/05/12/820260512.db2.gz VDOMXSSAOHSZGA-OAQYLSRUSA-N 1 0 382.504 4.049 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)CCCOc1ccc(C)cc1)[NH+]1CCCC1 ZINC000027570715 820260568 /nfs/dbraw/zinc/26/05/68/820260568.db2.gz PZOMAVCKQBUWLZ-QFIPXVFZSA-N 1 0 396.531 4.116 20 0 GIADRO O=C(CCSc1ccc(F)cc1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000058880833 823465790 /nfs/dbraw/zinc/46/57/90/823465790.db2.gz JUNDFDFJYSUOCX-UHFFFAOYSA-N 1 0 378.557 4.423 20 0 GIADRO Cc1ccc(C)c(C(=O)CCC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000058881228 823465827 /nfs/dbraw/zinc/46/58/27/823465827.db2.gz HZBPQRUYRWIFED-UHFFFAOYSA-N 1 0 384.564 4.381 20 0 GIADRO COc1ccc2nc(C)c(C(=O)NC[C@@H](c3cccs3)[NH+]3CCCC3)cc2c1 ZINC000027607455 820266874 /nfs/dbraw/zinc/26/68/74/820266874.db2.gz RRVFEQCVRXLOEV-FQEVSTJZSA-N 1 0 395.528 4.180 20 0 GIADRO Cc1nc2cc(F)cc(C(=O)N3CCC(C[NH+]4CCCCCC4)CC3)c2nc1C ZINC000058881950 823466050 /nfs/dbraw/zinc/46/60/50/823466050.db2.gz NIMRLZPVQQWUCA-UHFFFAOYSA-N 1 0 398.526 4.114 20 0 GIADRO COCCSc1ccc([C@@H](C)[NH2+][C@H]2CCCN(CC(C)(C)C)C2=O)cc1 ZINC000460648462 823466093 /nfs/dbraw/zinc/46/60/93/823466093.db2.gz LQGNDEHBXLTXNY-APWZRJJASA-N 1 0 378.582 4.113 20 0 GIADRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)[C@@H](c1ccccc1)C1CC1)c1ccccc1O2 ZINC000123124175 823466250 /nfs/dbraw/zinc/46/62/50/823466250.db2.gz HSEZPHOXVHAGJV-GMAHTHKFSA-N 1 0 390.527 4.285 20 0 GIADRO O=C(NCCCCOCc1ccccc1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177453418 823466288 /nfs/dbraw/zinc/46/62/88/823466288.db2.gz YOBBFMHGBRIASS-UHFFFAOYSA-N 1 0 387.568 4.080 20 0 GIADRO Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N(CC[NH+](C)C)CC(C)C ZINC000058883452 823466482 /nfs/dbraw/zinc/46/64/82/823466482.db2.gz SXWNRUDCGSIUEZ-UHFFFAOYSA-N 1 0 379.957 4.432 20 0 GIADRO CC1(C)[C@H]([NH2+]C2CCC(C(=O)N3CCSCC3)CC2)C[C@@H]1c1ccccc1 ZINC000123127448 823466601 /nfs/dbraw/zinc/46/66/01/823466601.db2.gz UAWFIOWKWDIHKH-TZWRJOPASA-N 1 0 386.605 4.293 20 0 GIADRO Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N[C@H](C)C[NH+]2CCCCC2)o1 ZINC000027752085 820282208 /nfs/dbraw/zinc/28/22/08/820282208.db2.gz NMSSSTYENOUOCO-QGZVFWFLSA-N 1 0 392.503 4.045 20 0 GIADRO COc1ccc(CNC(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)cc1F ZINC000410339692 823467394 /nfs/dbraw/zinc/46/73/94/823467394.db2.gz ZVBOUHILMJVYCV-UHFFFAOYSA-N 1 0 399.510 4.066 20 0 GIADRO CC(C)(C)CN1CCC[C@H]([NH2+]CC2(c3cccc(Cl)c3)CCOCC2)C1=O ZINC000460651891 823467525 /nfs/dbraw/zinc/46/75/25/823467525.db2.gz CFBRAFODTKXHHB-IBGZPJMESA-N 1 0 392.971 4.015 20 0 GIADRO CC(C)(C)CN1CCC[C@@H]([NH2+]CC2(c3cccc(Cl)c3)CCOCC2)C1=O ZINC000460651892 823467546 /nfs/dbraw/zinc/46/75/46/823467546.db2.gz CFBRAFODTKXHHB-LJQANCHMSA-N 1 0 392.971 4.015 20 0 GIADRO Brc1ccc([C@@H]2C[N@H+](CCCCC3CCOCC3)CCO2)cc1 ZINC000410341546 823467602 /nfs/dbraw/zinc/46/76/02/823467602.db2.gz AAYZVMNFZXDOOA-IBGZPJMESA-N 1 0 382.342 4.419 20 0 GIADRO C[C@@H]1CCc2c(C(=O)NC3CC[NH+](CCc4ccccc4)CC3)csc2C1 ZINC000027934388 820298816 /nfs/dbraw/zinc/29/88/16/820298816.db2.gz ZQLHESMTCVHIJQ-QGZVFWFLSA-N 1 0 382.573 4.310 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(CC(C)(C)C)C2=O)cc1Br ZINC000460654675 823468204 /nfs/dbraw/zinc/46/82/04/823468204.db2.gz IGWNLVKURFKDET-CZUORRHYSA-N 1 0 397.357 4.145 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)CCOc2ccc(F)cc2Cl)C1 ZINC000058900211 823468271 /nfs/dbraw/zinc/46/82/71/823468271.db2.gz QSPDSRISRGDBEH-IYBDPMFKSA-N 1 0 384.923 4.122 20 0 GIADRO COc1cc(NC(=O)c2ccc(C[NH+]3CCCCC3)o2)c(OC)cc1Cl ZINC000027979719 820302273 /nfs/dbraw/zinc/30/22/73/820302273.db2.gz HIXUXLCGWPWHAM-UHFFFAOYSA-N 1 0 378.856 4.188 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCC[C@H]3c3cccnc3)cc2)C1 ZINC000410354245 823471406 /nfs/dbraw/zinc/47/14/06/823471406.db2.gz OEHGINBIDVQZFH-XXBNENTESA-N 1 0 392.547 4.360 20 0 GIADRO O=C(COc1cc(Cl)c(Cl)cc1Cl)NCCC[NH+]1CCCCC1 ZINC000028061853 820308573 /nfs/dbraw/zinc/30/85/73/820308573.db2.gz ZSCMRXZEPMLNNF-UHFFFAOYSA-N 1 0 379.715 4.018 20 0 GIADRO Cc1c2cc(Br)ccc2oc1C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000028066470 820308682 /nfs/dbraw/zinc/30/86/82/820308682.db2.gz UTDXJFVHYOAXQW-UHFFFAOYSA-N 1 0 393.325 4.356 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCC[C@H]2c2cccn2C)cc1 ZINC000410346664 823469053 /nfs/dbraw/zinc/46/90/53/823469053.db2.gz WDKRXLXQDSFLIM-CVDCTZTESA-N 1 0 394.563 4.446 20 0 GIADRO C[NH+](C)CCN(C(=O)Nc1cc(F)c(F)cc1N1CCCCC1)C1CCCC1 ZINC000573255705 823471494 /nfs/dbraw/zinc/47/14/94/823471494.db2.gz GSVGZZFHATYUDB-UHFFFAOYSA-N 1 0 394.510 4.293 20 0 GIADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc([C@H]3C[C@@H]3C)o2)cc1 ZINC000028306810 820323617 /nfs/dbraw/zinc/32/36/17/820323617.db2.gz AYWYCSJZBLDNDR-FTRWYGJKSA-N 1 0 390.549 4.284 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N(C)CCc1ccccc1 ZINC000410348434 823470161 /nfs/dbraw/zinc/47/01/61/823470161.db2.gz JRTSULXQYJFMOE-HXUWFJFHSA-N 1 0 379.548 4.445 20 0 GIADRO CC(C)C[C@H]([NH3+])c1noc(-c2cc(NC(=O)NC(C)(C)C)ccc2Cl)n1 ZINC000573247710 823470186 /nfs/dbraw/zinc/47/01/86/823470186.db2.gz IHSYKRBVWTWRJS-AWEZNQCLSA-N 1 0 379.892 4.356 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1Cl)c1ccc(NC(=O)C2CC2)cc1 ZINC000028350476 820328891 /nfs/dbraw/zinc/32/88/91/820328891.db2.gz BOVNFIBHXGENFD-CABCVRRESA-N 1 0 399.922 4.044 20 0 GIADRO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](c4nnc5n4CCCCC5)C3)co2)cc1 ZINC000058918831 823470322 /nfs/dbraw/zinc/47/03/22/823470322.db2.gz LWJAXHNHDKZJMF-LJQANCHMSA-N 1 0 391.519 4.348 20 0 GIADRO CCOc1ccc(CN(C)C(=O)NC[C@@H](CC)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000028391860 820332120 /nfs/dbraw/zinc/33/21/20/820332120.db2.gz GROFVVJZZSRTAJ-JOCHJYFZSA-N 1 0 395.547 4.064 20 0 GIADRO C[C@H](NC(=O)NCc1cccc(C[NH+](C)C)c1)c1ccc(C(F)(F)F)cc1 ZINC000028399566 820332963 /nfs/dbraw/zinc/33/29/63/820332963.db2.gz PNYXGGRBJSBANK-AWEZNQCLSA-N 1 0 379.426 4.327 20 0 GIADRO C[C@@H](NC(=O)NCc1cccc(C[NH+](C)C)c1)c1ccc(Br)cc1 ZINC000028398747 820333068 /nfs/dbraw/zinc/33/30/68/820333068.db2.gz QQPBXFUFPUHFQA-CQSZACIVSA-N 1 0 390.325 4.071 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)Cc3ccc(Cl)c(F)c3)C2)s1 ZINC000573258350 823471888 /nfs/dbraw/zinc/47/18/88/823471888.db2.gz YEVYAKBYPKWVEL-INIZCTEOSA-N 1 0 394.943 4.372 20 0 GIADRO CC(C)Cc1ccc(C(=O)C2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)cc1 ZINC000058934378 823472324 /nfs/dbraw/zinc/47/23/24/823472324.db2.gz QNGLUOGTERRWAI-HSZRJFAPSA-N 1 0 395.543 4.220 20 0 GIADRO CCCCc1ccc(C(=O)CCC(=O)N2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000058935570 823472697 /nfs/dbraw/zinc/47/26/97/823472697.db2.gz YYIZALGFWPSTGC-UHFFFAOYSA-N 1 0 384.564 4.469 20 0 GIADRO COC(=O)c1cccc(NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000410358322 823473485 /nfs/dbraw/zinc/47/34/85/823473485.db2.gz IJYGCYANLQPHRJ-KRWDZBQOSA-N 1 0 395.503 4.027 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1cccc2c3c([nH]c21)CCCC3 ZINC000028837746 820362222 /nfs/dbraw/zinc/36/22/22/820362222.db2.gz QYOAQMOCGXHDNJ-HXUWFJFHSA-N 1 0 377.488 4.207 20 0 GIADRO CC[C@H](C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1)C1CCC(C)CC1 ZINC000460672628 823473905 /nfs/dbraw/zinc/47/39/05/823473905.db2.gz GSAYPBIRLWPUTE-MHJFOBGBSA-N 1 0 399.579 4.255 20 0 GIADRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(Br)cc2)cc1 ZINC000028893684 820368676 /nfs/dbraw/zinc/36/86/76/820368676.db2.gz AEAQARQHUPIBKU-OLZOCXBDSA-N 1 0 377.282 4.136 20 0 GIADRO CC[NH+]1CCN(CC(=O)Nc2cc(Cl)ccc2Oc2ccc(C)cc2)CC1 ZINC000028901883 820370383 /nfs/dbraw/zinc/37/03/83/820370383.db2.gz ITCKGXWTSMCCJE-UHFFFAOYSA-N 1 0 387.911 4.017 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@H](O)COc2ccc(C(C)(C)C)cc2)c1 ZINC000028917983 820372616 /nfs/dbraw/zinc/37/26/16/820372616.db2.gz GBSHMYWDINXMDE-KKSFZXQISA-N 1 0 384.520 4.033 20 0 GIADRO CCCCCCOc1ccc([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc1OC ZINC000028923036 820373689 /nfs/dbraw/zinc/37/36/89/820373689.db2.gz YFUCKDVAKLAWDA-FQEVSTJZSA-N 1 0 393.491 4.291 20 0 GIADRO CCOc1cc(C[NH2+][C@H](C)c2cccc(NC(C)=O)c2)ccc1OC(F)F ZINC000028924942 820374389 /nfs/dbraw/zinc/37/43/89/820374389.db2.gz IBHQIEHORPAGRX-CYBMUJFWSA-N 1 0 378.419 4.496 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000028925413 820374526 /nfs/dbraw/zinc/37/45/26/820374526.db2.gz YLMJZMQQEYONQU-KRWDZBQOSA-N 1 0 376.504 4.236 20 0 GIADRO O=C(NCC(F)(F)F)C1CC[NH+](Cc2ccccc2Oc2ccccc2)CC1 ZINC000028987028 820380158 /nfs/dbraw/zinc/38/01/58/820380158.db2.gz HWLXVOFHSYRBBD-UHFFFAOYSA-N 1 0 392.421 4.369 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)/C=C/c1ccc(Br)o1)c1ccsc1 ZINC000058954538 823475329 /nfs/dbraw/zinc/47/53/29/823475329.db2.gz SXQQIDGDMFJYFR-VFADXPBXSA-N 1 0 397.338 4.316 20 0 GIADRO COc1cc(C(=O)NC2CC[NH+](C3CC3)CC2)cc(Cl)c1OCCC(C)C ZINC000029090968 820391569 /nfs/dbraw/zinc/39/15/69/820391569.db2.gz SSWRMAXWRNNWKK-UHFFFAOYSA-N 1 0 394.943 4.130 20 0 GIADRO CCOc1ccc(NC(=O)NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000410365115 823475791 /nfs/dbraw/zinc/47/57/91/823475791.db2.gz JXQUNTYNCWTOTC-HDICACEKSA-N 1 0 397.519 4.016 20 0 GIADRO COc1cc(NC(=O)C[NH2+][C@H](c2ccc(F)cc2)C(C)C)c(OC)cc1Cl ZINC000029117389 820396174 /nfs/dbraw/zinc/39/61/74/820396174.db2.gz BJFTZWLOAKJGTI-FQEVSTJZSA-N 1 0 394.874 4.422 20 0 GIADRO O=C(Nc1cccc(OCCF)c1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000123187944 823475850 /nfs/dbraw/zinc/47/58/50/823475850.db2.gz ARDHWDNGOVGNHJ-SFHVURJKSA-N 1 0 377.504 4.155 20 0 GIADRO C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@H](C)c1ccc(Br)cc1F ZINC000573284423 823475954 /nfs/dbraw/zinc/47/59/54/823475954.db2.gz ZCXXRPJKHGDLEQ-ZIAGYGMSSA-N 1 0 385.321 4.420 20 0 GIADRO Cc1nc2ccccc2c(C)c1CC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000029179474 820408049 /nfs/dbraw/zinc/40/80/49/820408049.db2.gz WKRGJYUTSCNULZ-DEOSSOPVSA-N 1 0 387.527 4.347 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@H](c1nnc2ccccn21)C(C)C)CC3 ZINC000123190799 823476614 /nfs/dbraw/zinc/47/66/14/823476614.db2.gz VGWSTDXCNZSRRN-NYHFZMIOSA-N 1 0 389.503 4.063 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@@H](c1nnc2ccccn21)C(C)C)CC3 ZINC000123190995 823476680 /nfs/dbraw/zinc/47/66/80/823476680.db2.gz VGWSTDXCNZSRRN-OYHNWAKOSA-N 1 0 389.503 4.063 20 0 GIADRO C[C@H]1CCC[N@H+](CCCCNC(=O)CCC(=O)c2ccc3c(c2)CCCC3)C1 ZINC000058966055 823476807 /nfs/dbraw/zinc/47/68/07/823476807.db2.gz UDEFKNWCVASWCC-IBGZPJMESA-N 1 0 384.564 4.157 20 0 GIADRO CSc1ncc(C(=O)Nc2ccc(C[NH+](C)C)cc2)n1-c1ccc(F)cc1 ZINC000029279362 820426384 /nfs/dbraw/zinc/42/63/84/820426384.db2.gz QXHFCYOMUVKASI-UHFFFAOYSA-N 1 0 384.480 4.047 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2c(C)cc(Br)cc2C)C1 ZINC000177528190 823483114 /nfs/dbraw/zinc/48/31/14/823483114.db2.gz SRXWYFLZDZMYBL-OAHLLOKOSA-N 1 0 382.346 4.262 20 0 GIADRO Cc1nc2cc(Cl)c(NC(=O)NCC3CC[NH+](C4CC4)CC3)cc2s1 ZINC000573309557 823479145 /nfs/dbraw/zinc/47/91/45/823479145.db2.gz LWGLBTXBRFRHPJ-UHFFFAOYSA-N 1 0 378.929 4.254 20 0 GIADRO Cc1ccc(C[C@H]([NH2+][C@@H]2CCCN(CC(C)(C)C)C2=O)c2ccccn2)cc1 ZINC000460686192 823479181 /nfs/dbraw/zinc/47/91/81/823479181.db2.gz FFQMJWMVSMJBOX-YADHBBJMSA-N 1 0 379.548 4.301 20 0 GIADRO COc1ccc([C@@H](C)N(C)C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000123212788 823479527 /nfs/dbraw/zinc/47/95/27/823479527.db2.gz WINNEMAMWVTBBZ-GCJKJVERSA-N 1 0 381.520 4.235 20 0 GIADRO O=c1cc(C[NH+]2CCC([C@@H](O)c3ccccc3)CC2)c2cc3c(cc2o1)CCC3 ZINC000029476352 820460713 /nfs/dbraw/zinc/46/07/13/820460713.db2.gz SIZAGRFSPVQXMV-VWLOTQADSA-N 1 0 389.495 4.227 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3OC)cc2)C1 ZINC000177517042 823480546 /nfs/dbraw/zinc/48/05/46/823480546.db2.gz DZUBGLMTXDDTAY-QGZVFWFLSA-N 1 0 383.492 4.293 20 0 GIADRO O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000177517147 823480676 /nfs/dbraw/zinc/48/06/76/823480676.db2.gz IUHRGHBUPDWFAX-QGZVFWFLSA-N 1 0 385.508 4.068 20 0 GIADRO COc1cc(NC(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc(OC)c1 ZINC000410377137 823480671 /nfs/dbraw/zinc/48/06/71/823480671.db2.gz ZYTNLVFKORGBSL-QGZVFWFLSA-N 1 0 397.519 4.257 20 0 GIADRO C[C@H](C1CC1)n1cc(NC(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cn1 ZINC000189714655 823480864 /nfs/dbraw/zinc/48/08/64/823480864.db2.gz VDDBZBBXASJFIL-OGWOLHLISA-N 1 0 387.553 4.120 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)c1 ZINC000460689403 823481112 /nfs/dbraw/zinc/48/11/12/823481112.db2.gz BIEBLQBGDHUMPC-OALUTQOASA-N 1 0 377.315 4.475 20 0 GIADRO COc1ccc(CCC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)cc1Cl ZINC000059001187 823481229 /nfs/dbraw/zinc/48/12/29/823481229.db2.gz YMNDHHKSRWUVQE-UHFFFAOYSA-N 1 0 392.902 4.011 20 0 GIADRO O=C(Nc1ccc(Oc2ccccn2)cc1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000573336259 823481593 /nfs/dbraw/zinc/48/15/93/823481593.db2.gz KFIIVCPXUSPIBM-SFHVURJKSA-N 1 0 383.517 4.030 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)CCCc1nc2ccccc2s1 ZINC000059002773 823481717 /nfs/dbraw/zinc/48/17/17/823481717.db2.gz FNVXNDAMJGNGTE-UHFFFAOYSA-N 1 0 399.535 4.349 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@@H](C)Cc1ccc(OC)c(OC)c1)CC3 ZINC000123228685 823481758 /nfs/dbraw/zinc/48/17/58/823481758.db2.gz JVSLEAPNFBLIFL-RDJZCZTQSA-N 1 0 394.515 4.272 20 0 GIADRO O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CCN(CC2CC2)c2ccccc21 ZINC000573341455 823481994 /nfs/dbraw/zinc/48/19/94/823481994.db2.gz CMKGDBLSDIWLCQ-UHFFFAOYSA-N 1 0 375.516 4.159 20 0 GIADRO CC[NH+]1CCC(NC(=O)c2oc3ccccc3c2COc2ccccc2)CC1 ZINC000029606117 820483751 /nfs/dbraw/zinc/48/37/51/820483751.db2.gz OQGVEVZMXGXTOB-UHFFFAOYSA-N 1 0 378.472 4.226 20 0 GIADRO Cc1cc(C)cc(C(=O)NCC(=O)Nc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)c1 ZINC000059023836 823483945 /nfs/dbraw/zinc/48/39/45/823483945.db2.gz MYODGFJKDISRCM-IBGZPJMESA-N 1 0 393.531 4.046 20 0 GIADRO Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000059037482 823484147 /nfs/dbraw/zinc/48/41/47/823484147.db2.gz JAWUBFIXGWIKFU-QZTJIDSGSA-N 1 0 385.508 4.331 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)cc1 ZINC000029711571 820503866 /nfs/dbraw/zinc/50/38/66/820503866.db2.gz BKQJOSYCCZKWKE-IRXDYDNUSA-N 1 0 383.492 4.090 20 0 GIADRO Cc1cccc2c1OCC[C@H]2NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000189758594 823489462 /nfs/dbraw/zinc/48/94/62/823489462.db2.gz NPUORGOHJQJOJU-QZTJIDSGSA-N 1 0 385.533 4.016 20 0 GIADRO C[C@H](CS(=O)(=O)c1ccccc1)N[C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000123246024 823484687 /nfs/dbraw/zinc/48/46/87/823484687.db2.gz IOYSVWSLNYNLBW-CXAGYDPISA-N 1 0 389.414 4.271 20 0 GIADRO CC(C)OCc1ccccc1CNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000029729914 820508392 /nfs/dbraw/zinc/50/83/92/820508392.db2.gz OTJYPTOMJFZEBS-HSZRJFAPSA-N 1 0 395.547 4.248 20 0 GIADRO O=C(Nc1cccc(OCc2cccc(F)c2)c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000177536198 823485278 /nfs/dbraw/zinc/48/52/78/823485278.db2.gz XDEUBJDRLPZPAA-IBGZPJMESA-N 1 0 397.494 4.354 20 0 GIADRO CC[C@@H](NC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1c(C)noc1C ZINC000123252156 823485234 /nfs/dbraw/zinc/48/52/34/823485234.db2.gz MQXZUBSMHNTQSM-FUHWJXTLSA-N 1 0 390.553 4.015 20 0 GIADRO O=C(COc1ccc(Cl)c(Cl)c1)NCc1ccccc1C[NH+]1CCCC1 ZINC000029777941 820516503 /nfs/dbraw/zinc/51/65/03/820516503.db2.gz HDYZBFKBLDPBLC-UHFFFAOYSA-N 1 0 393.314 4.284 20 0 GIADRO COCc1c(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)sc2cccc(F)c21 ZINC000029787813 820519136 /nfs/dbraw/zinc/51/91/36/820519136.db2.gz GRAHGIGUTIPVDV-UHFFFAOYSA-N 1 0 378.513 4.226 20 0 GIADRO O=c1cc(C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c2ccc(O)cc2o1 ZINC000029825411 820525895 /nfs/dbraw/zinc/52/58/95/820525895.db2.gz DCJMDWURIJJKLB-AWEZNQCLSA-N 1 0 376.412 4.019 20 0 GIADRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)C1c2ccccc2Oc2ccccc21 ZINC000029838691 820529347 /nfs/dbraw/zinc/52/93/47/820529347.db2.gz WUJGEYWNSHDMFH-UHFFFAOYSA-N 1 0 398.506 4.489 20 0 GIADRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1cc(F)c(Cl)cc1Cl ZINC000029839945 820529503 /nfs/dbraw/zinc/52/95/03/820529503.db2.gz FQGGHTCHESRTAJ-UHFFFAOYSA-N 1 0 381.278 4.311 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(N2CCOCC2)c1)c1ccc(F)cc1OC(F)F ZINC000573390957 823486980 /nfs/dbraw/zinc/48/69/80/823486980.db2.gz MJFSPLCRCIPZKH-CQSZACIVSA-N 1 0 380.410 4.115 20 0 GIADRO COc1cnccc1[C@@H](C)NC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000189750845 823487550 /nfs/dbraw/zinc/48/75/50/823487550.db2.gz KENHWOQWUHPHCS-GOSISDBHSA-N 1 0 396.535 4.027 20 0 GIADRO CC[C@H](CNC(=O)CCc1c[nH]c2ccccc12)[N@@H+]1CCc2ccccc2C1 ZINC000029909000 820546179 /nfs/dbraw/zinc/54/61/79/820546179.db2.gz GDTQVHPSVYCUDY-OAQYLSRUSA-N 1 0 375.516 4.054 20 0 GIADRO COc1cnccc1[C@H](C)NC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000189752950 823488209 /nfs/dbraw/zinc/48/82/09/823488209.db2.gz GZMIVQJEXNLIOK-SFHVURJKSA-N 1 0 396.535 4.027 20 0 GIADRO C[NH+](C)Cc1ccc(NC(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)cc1 ZINC000029952301 820555822 /nfs/dbraw/zinc/55/58/22/820555822.db2.gz OVKRPAJKHPZPAQ-UHFFFAOYSA-N 1 0 399.292 4.153 20 0 GIADRO CC(=O)Nc1ccc2c(C[N@@H+]3CCC[C@@H]3c3ccc(C)cc3)cc(=O)oc2c1 ZINC000030003385 820565980 /nfs/dbraw/zinc/56/59/80/820565980.db2.gz HELXYIIRWXBFRQ-OAQYLSRUSA-N 1 0 376.456 4.397 20 0 GIADRO CC1CC[NH+](Cc2ccc(NC(=O)c3c[nH]c(=O)c4ccccc34)cc2)CC1 ZINC000189786586 823493990 /nfs/dbraw/zinc/49/39/90/823493990.db2.gz XLRDHHZWSMALGI-UHFFFAOYSA-N 1 0 375.472 4.012 20 0 GIADRO COc1ccc2c(c1)[C@@H](c1nc(-c3ccc(C[NH+]4CCCC4)cc3)no1)CC2 ZINC000573523703 823494131 /nfs/dbraw/zinc/49/41/31/823494131.db2.gz MRGAMZNNPDLBPH-FQEVSTJZSA-N 1 0 375.472 4.419 20 0 GIADRO COc1ccccc1COC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000059376180 823494353 /nfs/dbraw/zinc/49/43/53/823494353.db2.gz RFDGXKCFIDCIAD-FXAWDEMLSA-N 1 0 375.896 4.063 20 0 GIADRO Cc1sc(-c2ccco2)nc1C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000030231893 820591087 /nfs/dbraw/zinc/59/10/87/820591087.db2.gz DLQIOYCEWMQSRD-QGZVFWFLSA-N 1 0 381.501 4.278 20 0 GIADRO O=C(CCCCc1nc2ccccc2s1)NCC[N@@H+]1CCc2ccccc2C1 ZINC000030318715 820600876 /nfs/dbraw/zinc/60/08/76/820600876.db2.gz HFMJWRYBSFDCQG-UHFFFAOYSA-N 1 0 393.556 4.184 20 0 GIADRO C[NH+](C)CCN(C(=O)c1cc(-c2ccncc2)nc2ccccc21)C1CCCC1 ZINC000177559912 823491220 /nfs/dbraw/zinc/49/12/20/823491220.db2.gz FBABXLKBWDBNTN-UHFFFAOYSA-N 1 0 388.515 4.243 20 0 GIADRO Cc1ccccc1[C@H]1CCC[N@H+]1CC(=O)N(C)Cc1ccc(OC(F)F)cc1 ZINC000059390516 823495020 /nfs/dbraw/zinc/49/50/20/823495020.db2.gz RGNOPZVJSIIOIV-HXUWFJFHSA-N 1 0 388.458 4.392 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@@H](C)C(=O)NC2CCC(C)CC2)ccc1OC(C)C ZINC000030492470 820622716 /nfs/dbraw/zinc/62/27/16/820622716.db2.gz DVMVDHNWLLXUFU-ISXWCOSWSA-N 1 0 376.541 4.216 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(C)c2)cc1Br ZINC000030509597 820627320 /nfs/dbraw/zinc/62/73/20/820627320.db2.gz VZLOXNPZIAMVDO-ZIAGYGMSSA-N 1 0 391.309 4.444 20 0 GIADRO Cc1ccccc1NC(=O)[C@@H](C)[NH2+]Cc1cccc(COCc2ccco2)c1 ZINC000030511131 820627835 /nfs/dbraw/zinc/62/78/35/820627835.db2.gz UIHCLDAGLKSOPS-GOSISDBHSA-N 1 0 378.472 4.422 20 0 GIADRO Cc1cccc(NC(=O)[C@H](C)[NH2+]Cc2cccc(COCc3ccco3)c2)c1 ZINC000030511025 820627911 /nfs/dbraw/zinc/62/79/11/820627911.db2.gz MTNZTKRSYHCREW-SFHVURJKSA-N 1 0 378.472 4.422 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(COCc2ccco2)c1)C(=O)Nc1cccc(F)c1 ZINC000030511247 820628881 /nfs/dbraw/zinc/62/88/81/820628881.db2.gz LQCBMWOYQLJFIF-INIZCTEOSA-N 1 0 382.435 4.252 20 0 GIADRO COc1cc([C@H](C)[NH2+]C[C@H](O)COc2c(C)cccc2C)ccc1OC(C)C ZINC000030533631 820634100 /nfs/dbraw/zinc/63/41/00/820634100.db2.gz BRZZUGBCKFIPOF-ICSRJNTNSA-N 1 0 387.520 4.190 20 0 GIADRO COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]Cc2cccc(CO)c2)c1 ZINC000177578239 823495159 /nfs/dbraw/zinc/49/51/59/823495159.db2.gz NFGQORPJGKGDSP-UHFFFAOYSA-N 1 0 379.504 4.096 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccc(Cl)cc2)cc1Br ZINC000030537354 820635788 /nfs/dbraw/zinc/63/57/88/820635788.db2.gz GPYPESKMYQVDTB-BDJLRTHQSA-N 1 0 384.701 4.495 20 0 GIADRO Cc1ccc(C(=O)CCC(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000030551714 820639005 /nfs/dbraw/zinc/63/90/05/820639005.db2.gz OYQAYZVJAKETPG-UHFFFAOYSA-N 1 0 378.516 4.260 20 0 GIADRO Cc1noc(-c2ccccc2)c1NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000189778091 823492780 /nfs/dbraw/zinc/49/27/80/823492780.db2.gz REJRAGAXCBSMIA-AZUAARDMSA-N 1 0 376.460 4.217 20 0 GIADRO CCCc1c(C(=O)Nc2cccc(C[NH+](CC)CC)c2)[nH]c(C)c1C(=O)OC ZINC000059402940 823495208 /nfs/dbraw/zinc/49/52/08/823495208.db2.gz NPSGSJMXIYYPER-UHFFFAOYSA-N 1 0 385.508 4.156 20 0 GIADRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)Nc1ccc(OC(F)F)c(F)c1 ZINC000059350824 823493044 /nfs/dbraw/zinc/49/30/44/823493044.db2.gz JZQHTCLCWHKJBC-QGZVFWFLSA-N 1 0 393.409 4.386 20 0 GIADRO C/C=C\c1ccc(OC[C@H](O)C[NH+]2CCC(CC(F)(F)F)CC2)c(OC)c1 ZINC000573466260 823493118 /nfs/dbraw/zinc/49/31/18/823493118.db2.gz QBJCAVKVYFKACV-CWIOURORSA-N 1 0 387.442 4.132 20 0 GIADRO CC[C@@H]([NH2+]CCc1cccc(C(=O)NC)c1)c1ccc(OC(F)(F)F)cc1 ZINC000573467350 823493359 /nfs/dbraw/zinc/49/33/59/823493359.db2.gz TYTWZWUQVVKOFS-GOSISDBHSA-N 1 0 380.410 4.228 20 0 GIADRO C[C@H](NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccc(OC(F)F)cc1 ZINC000123303703 823493357 /nfs/dbraw/zinc/49/33/57/823493357.db2.gz VUOLZXWWCIUZOZ-GMBSWORKSA-N 1 0 393.478 4.007 20 0 GIADRO CC[NH+]1CCC(NC(=O)c2c(C)onc2-c2c(Cl)cccc2Cl)CC1 ZINC000030626472 820652966 /nfs/dbraw/zinc/65/29/66/820652966.db2.gz NWZQAAPFERQCED-UHFFFAOYSA-N 1 0 382.291 4.171 20 0 GIADRO COCc1ccccc1C[NH2+]Cc1ccc(OCc2ccncc2)c(OC)c1 ZINC000030630637 820653706 /nfs/dbraw/zinc/65/37/06/820653706.db2.gz PFNOQLQUDAMXLG-UHFFFAOYSA-N 1 0 378.472 4.105 20 0 GIADRO COc1ccc(-c2nn(-c3ccccc3)cc2CNCCC[N@H+](C)C(C)C)cc1 ZINC000030640113 820656347 /nfs/dbraw/zinc/65/63/47/820656347.db2.gz PXEIBCLWDOUKBJ-UHFFFAOYSA-N 1 0 392.547 4.368 20 0 GIADRO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]Cc1ccccc1Cn1ccnc1 ZINC000030652062 820658526 /nfs/dbraw/zinc/65/85/26/820658526.db2.gz MOQHFUHMQQRXAZ-UHFFFAOYSA-N 1 0 399.542 4.391 20 0 GIADRO Cc1n[nH]cc1CCC[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000030667153 820662198 /nfs/dbraw/zinc/66/21/98/820662198.db2.gz RMDUETGCOWQIME-UHFFFAOYSA-N 1 0 382.895 4.346 20 0 GIADRO CC[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000123322108 823496171 /nfs/dbraw/zinc/49/61/71/823496171.db2.gz GQRVGDVLUYMONX-FGZHOGPDSA-N 1 0 379.504 4.242 20 0 GIADRO c1sc(-c2ccc3c(c2)OCO3)nc1CNC1CC[NH+](C2CCCCC2)CC1 ZINC000177583254 823496309 /nfs/dbraw/zinc/49/63/09/823496309.db2.gz CXZJOIHNTJACAL-UHFFFAOYSA-N 1 0 399.560 4.426 20 0 GIADRO Cc1cccc2nc(C3CC[NH+]([C@H](C(=O)NC4CC4)c4ccccc4)CC3)oc21 ZINC000189814099 823500340 /nfs/dbraw/zinc/50/03/40/823500340.db2.gz CAYPPUVUVMEIPW-NRFANRHFSA-N 1 0 389.499 4.336 20 0 GIADRO CC(C)Cn1c(-c2ccc[nH]2)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000460729393 823497412 /nfs/dbraw/zinc/49/74/12/823497412.db2.gz MXIMRIMDHIRPFS-UHFFFAOYSA-N 1 0 392.551 4.030 20 0 GIADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ncoc2-c2ccccc2Cl)C1 ZINC000460729898 823497432 /nfs/dbraw/zinc/49/74/32/823497432.db2.gz JXWFSYDEESZMMO-HUUCEWRRSA-N 1 0 375.900 4.093 20 0 GIADRO C[C@H](CN1CC[NH+](CCCOCC(F)(F)F)CC1)c1cccc(Cl)c1 ZINC000189803189 823497423 /nfs/dbraw/zinc/49/74/23/823497423.db2.gz VQNVFOFLAOBYKZ-OAHLLOKOSA-N 1 0 378.866 4.030 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)c2cnn(-c3ccccn3)c2C(C)C)c1 ZINC000030878178 820699606 /nfs/dbraw/zinc/69/96/06/820699606.db2.gz RDBPIYZUJLYIJO-UHFFFAOYSA-N 1 0 391.519 4.485 20 0 GIADRO Cc1nn(C)c2ncc(C[NH+]3CCC(c4nc5cccc(C)c5o4)CC3)cc12 ZINC000189807166 823498437 /nfs/dbraw/zinc/49/84/37/823498437.db2.gz FXNDJBWALRWNGD-UHFFFAOYSA-N 1 0 375.476 4.106 20 0 GIADRO COc1ncccc1C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000030901408 820705423 /nfs/dbraw/zinc/70/54/23/820705423.db2.gz MSCWBXMWURCTRB-UHFFFAOYSA-N 1 0 384.483 4.292 20 0 GIADRO Cn1ncc2c1CCC[C@H]2[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000030908821 820706605 /nfs/dbraw/zinc/70/66/05/820706605.db2.gz NRDMHLKKDSONNH-HXUWFJFHSA-N 1 0 394.906 4.493 20 0 GIADRO Cc1c(C[NH2+]Cc2cnn(Cc3ccccc3)c2)sc2nc(C)nc(C)c12 ZINC000030907623 820707029 /nfs/dbraw/zinc/70/70/29/820707029.db2.gz IKRQLJHRWCJUBI-UHFFFAOYSA-N 1 0 377.517 4.151 20 0 GIADRO CN(CCC[NH2+]Cc1c2ccccc2c(Cl)c2ccccc21)S(C)(=O)=O ZINC000030914079 820708367 /nfs/dbraw/zinc/70/83/67/820708367.db2.gz IIXVNXRXUNSYPV-UHFFFAOYSA-N 1 0 390.936 4.018 20 0 GIADRO CCOC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(C)C ZINC000189810159 823499130 /nfs/dbraw/zinc/49/91/30/823499130.db2.gz VMDMGHSADGKGNV-IAQYHMDHSA-N 1 0 380.838 4.337 20 0 GIADRO CC[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(OCc3ccccc3)c(OC)c2)C1 ZINC000030970012 820713068 /nfs/dbraw/zinc/71/30/68/820713068.db2.gz JAUAOAFDYIIZSV-LJQANCHMSA-N 1 0 396.531 4.012 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(Cl)c3cc(Cl)ccc3n2)[C@H](C)C1 ZINC000410511459 823500566 /nfs/dbraw/zinc/50/05/66/823500566.db2.gz GUFPKMIOLXMNHO-XIKOKIGWSA-N 1 0 380.319 4.344 20 0 GIADRO CC[C@@H](NC(=O)N(C)C1CC[NH+](C2CCC(C)CC2)CC1)c1c(C)noc1C ZINC000123347827 823499948 /nfs/dbraw/zinc/49/99/48/823499948.db2.gz CSOOMFKRKFVEOL-RGKRWLCDSA-N 1 0 390.572 4.427 20 0 GIADRO Cc1nn(-c2ccc(C(=O)NCC[N@@H+](C)Cc3ccccc3)cc2)c(C)c1Cl ZINC000059983074 823504076 /nfs/dbraw/zinc/50/40/76/823504076.db2.gz OJFRBWICAQAWTP-UHFFFAOYSA-N 1 0 396.922 4.004 20 0 GIADRO CC[C@@H]1c2ccsc2CCN1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000031094956 820738911 /nfs/dbraw/zinc/73/89/11/820738911.db2.gz NFJDEQXPDLDKHZ-HXUWFJFHSA-N 1 0 383.561 4.432 20 0 GIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)COc2ccc(Cl)cc2Cl)C1 ZINC000059989844 823504372 /nfs/dbraw/zinc/50/43/72/823504372.db2.gz NSSSVWXGTMNIJP-YOEHRIQHSA-N 1 0 393.314 4.324 20 0 GIADRO Cc1cc(C)c(Br)c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000460756006 823504919 /nfs/dbraw/zinc/50/49/19/823504919.db2.gz NQEMBTCXWBLOOA-KRWDZBQOSA-N 1 0 387.321 4.070 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)c2scnc2C(F)(F)F)[C@@H]1c1cccs1 ZINC000410517105 823500781 /nfs/dbraw/zinc/50/07/81/823500781.db2.gz WECQDLYVQIJUTH-ZYHUDNBSSA-N 1 0 389.468 4.036 20 0 GIADRO C[S@@](=O)C[C@@H]([NH2+]Cc1ccc(Br)c(Cl)c1)c1ccccc1 ZINC000189853959 823506372 /nfs/dbraw/zinc/50/63/72/823506372.db2.gz CVMQFZJHIPXRND-IIBYNOLFSA-N 1 0 386.742 4.312 20 0 GIADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2c(F)ccc(SCC3CC3)c2F)C1 ZINC000410591080 823505805 /nfs/dbraw/zinc/50/58/05/823505805.db2.gz PMWFDAHINGHDCT-ZBFHGGJFSA-N 1 0 380.504 4.023 20 0 GIADRO Cc1ccc(OCc2nc(CC(=O)Nc3ccccc3C[NH+](C)C)cs2)cc1 ZINC000031232144 820775086 /nfs/dbraw/zinc/77/50/86/820775086.db2.gz LZELWULONPEHHE-UHFFFAOYSA-N 1 0 395.528 4.273 20 0 GIADRO C[C@H]1CCC[C@](CNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)([NH+](C)C)C1 ZINC000059891336 823501999 /nfs/dbraw/zinc/50/19/99/823501999.db2.gz OCBNJHZKBBIHCA-UUOWRZLLSA-N 1 0 393.531 4.179 20 0 GIADRO C[S@@](=O)C[C@H]([NH2+]Cc1ccc(Br)c(Cl)c1)c1ccccc1 ZINC000189853917 823506408 /nfs/dbraw/zinc/50/64/08/823506408.db2.gz CVMQFZJHIPXRND-HRAATJIYSA-N 1 0 386.742 4.312 20 0 GIADRO COC(=O)c1ccc(C[NH+](Cc2ccc(C(=O)OC)o2)[C@@H]2CCC[C@H](C)C2)o1 ZINC000031471828 820815274 /nfs/dbraw/zinc/81/52/74/820815274.db2.gz LBKVEXASEUTNHV-LSDHHAIUSA-N 1 0 389.448 4.027 20 0 GIADRO CC(C)c1c(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)cnn1-c1ccc(F)cc1 ZINC000060091589 823507505 /nfs/dbraw/zinc/50/75/05/823507505.db2.gz FJHFFZJQNVWVAN-KRWDZBQOSA-N 1 0 386.515 4.129 20 0 GIADRO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(SC(F)F)cc1 ZINC000031543927 820823502 /nfs/dbraw/zinc/82/35/02/820823502.db2.gz FBLNRECXBJLFCX-QGZVFWFLSA-N 1 0 376.472 4.396 20 0 GIADRO O=C(CCc1nc2ccccc2s1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000031566026 820827111 /nfs/dbraw/zinc/82/71/11/820827111.db2.gz CLKYZPDAWACUDZ-SFHVURJKSA-N 1 0 379.529 4.010 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1cccc(OC[C@@H]2CCCO2)c1 ZINC000031620023 820835097 /nfs/dbraw/zinc/83/50/97/820835097.db2.gz XLHMUWJIXPATMT-QHCPKHFHSA-N 1 0 394.515 4.483 20 0 GIADRO CCc1c(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)cnn1-c1ccccn1 ZINC000031619600 820835219 /nfs/dbraw/zinc/83/52/19/820835219.db2.gz SHRMAYVFGCTISS-UHFFFAOYSA-N 1 0 389.503 4.068 20 0 GIADRO COc1ccc([C@@H](C)CC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000177656464 823508480 /nfs/dbraw/zinc/50/84/80/823508480.db2.gz WDKIJUJIDRDDCJ-FPOVZHCZSA-N 1 0 380.532 4.169 20 0 GIADRO CN(C)c1ccc(CCC(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)cc1 ZINC000031900444 820872666 /nfs/dbraw/zinc/87/26/66/820872666.db2.gz TXKJSIWLIXTMHS-QFIPXVFZSA-N 1 0 399.966 4.292 20 0 GIADRO O=C(CCc1nc2ccccc2[nH]1)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000031900453 820872887 /nfs/dbraw/zinc/87/28/87/820872887.db2.gz PAZYAPCLWZJXNF-FQEVSTJZSA-N 1 0 396.922 4.102 20 0 GIADRO CO[C@H](C)c1nc(C[NH2+][C@]2(CNC(=O)OC(C)(C)C)CCCC[C@@H]2C)cs1 ZINC000177677557 823512351 /nfs/dbraw/zinc/51/23/51/823512351.db2.gz HENYLBLNCOISGH-MDOVXXIYSA-N 1 0 397.585 4.414 20 0 GIADRO CC(C)c1cccc(O[C@H](C)C(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)c1 ZINC000123457605 823510954 /nfs/dbraw/zinc/51/09/54/823510954.db2.gz NAKWGGDCVZBHLR-GOSISDBHSA-N 1 0 384.520 4.293 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCSc2ccccc21)Cc1ccccc1 ZINC000460783392 823511446 /nfs/dbraw/zinc/51/14/46/823511446.db2.gz DGLMPRIRXJHHFJ-CTNGQTDRSA-N 1 0 382.573 4.335 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1cccc(Nc2ncccn2)c1)c1ccsc1 ZINC000031984076 820883421 /nfs/dbraw/zinc/88/34/21/820883421.db2.gz MRKUYAFWIPYLQD-IBGZPJMESA-N 1 0 395.532 4.095 20 0 GIADRO C[C@H](NC(=O)CN1CCC([NH+]2CCCCC2)CC1)c1ccc(Cl)cc1Cl ZINC000060198306 823511490 /nfs/dbraw/zinc/51/14/90/823511490.db2.gz QHIAAHDFGMNRIQ-HNNXBMFYSA-N 1 0 398.378 4.121 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)CCc1cnn(-c2ccccc2)c1)c1ccsc1 ZINC000031985763 820884202 /nfs/dbraw/zinc/88/42/02/820884202.db2.gz QOKZUYAPDSGVQU-NRFANRHFSA-N 1 0 396.560 4.066 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Cc1coc2cc(OC)ccc12)c1ccsc1 ZINC000031988606 820885483 /nfs/dbraw/zinc/88/54/83/820885483.db2.gz LWAAVDWGJFIPOJ-IBGZPJMESA-N 1 0 386.517 4.245 20 0 GIADRO O=C(Nc1cccc(OCc2cccnc2)c1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000177680034 823512734 /nfs/dbraw/zinc/51/27/34/823512734.db2.gz TYJZTDDSMGPOJP-LJQANCHMSA-N 1 0 379.504 4.254 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@H](c1ccccc1)C(C)(C)CO)CC3 ZINC000123482548 823513336 /nfs/dbraw/zinc/51/33/36/823513336.db2.gz WVTFNSVDSJRSFX-XMSQKQJNSA-N 1 0 392.543 4.426 20 0 GIADRO C[NH+](C)C1(CNC(=O)c2cccc(OCc3cscn3)c2)CCCCCC1 ZINC000032209148 820902881 /nfs/dbraw/zinc/90/28/81/820902881.db2.gz ZQMATYXHISYXGU-UHFFFAOYSA-N 1 0 387.549 4.107 20 0 GIADRO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3ccc(F)c(C(F)(F)F)c3)C2)CC1 ZINC000060275169 823513978 /nfs/dbraw/zinc/51/39/78/823513978.db2.gz SYOCUDVBTHXMKU-OAHLLOKOSA-N 1 0 386.433 4.429 20 0 GIADRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)Cn3ccc4ccc(Cl)cc43)C2)CC1 ZINC000060275654 823514248 /nfs/dbraw/zinc/51/42/48/823514248.db2.gz BRQXCRNQUNOBHJ-SFHVURJKSA-N 1 0 387.955 4.265 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Cc1ccc(OC)c(F)c1)c1ccccc1Cl ZINC000032316857 820913864 /nfs/dbraw/zinc/91/38/64/820913864.db2.gz YLJKCUCNFSIDSL-IBGZPJMESA-N 1 0 392.902 4.230 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1ccc(Br)c(F)c1 ZINC000177705113 823514883 /nfs/dbraw/zinc/51/48/83/823514883.db2.gz RJWGJARYQGGLQZ-UHFFFAOYSA-N 1 0 393.300 4.312 20 0 GIADRO CC(C)Oc1ccc(-c2nc(C(=O)N(C)[C@H]3CC[N@H+](C)[C@@H](C)C3)cs2)cc1 ZINC000123502248 823515309 /nfs/dbraw/zinc/51/53/09/823515309.db2.gz YOGIVVZNRNWGQI-RDJZCZTQSA-N 1 0 387.549 4.152 20 0 GIADRO OCC[C@H]1CCC[C@H]1[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000189935364 823515470 /nfs/dbraw/zinc/51/54/70/823515470.db2.gz IRPSUWSOLZDDEO-UYAOXDASSA-N 1 0 381.545 4.301 20 0 GIADRO O=C(Cc1ccc(Cl)cc1Cl)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000032398859 820933144 /nfs/dbraw/zinc/93/31/44/820933144.db2.gz PIBRGAWJLRZXLR-UHFFFAOYSA-N 1 0 377.315 4.101 20 0 GIADRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000032400964 820934571 /nfs/dbraw/zinc/93/45/71/820934571.db2.gz NLPQTMKJQRXLIO-UHFFFAOYSA-N 1 0 395.890 4.173 20 0 GIADRO CC[C@H](CNC(=O)c1oc2c(cccc2F)c1C)[N@@H+]1CCc2ccccc2C1 ZINC000032446800 820945633 /nfs/dbraw/zinc/94/56/33/820945633.db2.gz JYZFVHNQHBBMKB-GOSISDBHSA-N 1 0 380.463 4.447 20 0 GIADRO CC[C@H](CNC(=O)c1oc2ccc(F)cc2c1C)[N@@H+]1CCc2ccccc2C1 ZINC000032446802 820946005 /nfs/dbraw/zinc/94/60/05/820946005.db2.gz DNLZRJISTUHNLD-LJQANCHMSA-N 1 0 380.463 4.447 20 0 GIADRO CC[C@@H](CNC(=O)c1cc(-c2csc(C)n2)c[nH]1)[N@@H+]1CCc2ccccc2C1 ZINC000032446831 820946066 /nfs/dbraw/zinc/94/60/66/820946066.db2.gz HXUAWQUTIBPQPD-IBGZPJMESA-N 1 0 394.544 4.013 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1ccc(Br)cc1F ZINC000032463550 820950066 /nfs/dbraw/zinc/95/00/66/820950066.db2.gz LYRZESKUNCKTJF-UHFFFAOYSA-N 1 0 391.284 4.114 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)N2CCCCC[C@@H]2C[C@@H](O)c2ccco2)c1 ZINC000177720251 823516628 /nfs/dbraw/zinc/51/66/28/823516628.db2.gz WRWWMNZNOOXCCB-WOJBJXKFSA-N 1 0 385.508 4.241 20 0 GIADRO FC(F)(F)c1ccc(CCC[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)cc1 ZINC000177724377 823516914 /nfs/dbraw/zinc/51/69/14/823516914.db2.gz RDQXGJAYRIFSNN-MRXNPFEDSA-N 1 0 378.442 4.055 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)CCCc1ncc(-c2ccccc2)o1)c1cccs1 ZINC000032486007 820957975 /nfs/dbraw/zinc/95/79/75/820957975.db2.gz AIGOBFLEQOGKQZ-QGZVFWFLSA-N 1 0 383.517 4.145 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1)CC3 ZINC000123521518 823517087 /nfs/dbraw/zinc/51/70/87/823517087.db2.gz YQSQBYMDVIZKDI-YEJXKQKISA-N 1 0 388.870 4.150 20 0 GIADRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCc1nnc(-c2ccccc2)s1 ZINC000189954800 823517462 /nfs/dbraw/zinc/51/74/62/823517462.db2.gz PUNOQTXMSHFWDX-QZTJIDSGSA-N 1 0 392.572 4.451 20 0 GIADRO Cc1cc(C)n(-c2ccc(C[N@@H+](C)[C@H](C)c3ccc([S@](C)=O)cc3)cc2)n1 ZINC000177727771 823517522 /nfs/dbraw/zinc/51/75/22/823517522.db2.gz XBKOVBIAJUZPJP-CLYVBNDRSA-N 1 0 381.545 4.420 20 0 GIADRO CCCCO[C@@H]1C[C@H](N(C)Cc2csc(N(C(C)=O)C3CC3)n2)C1(C)C ZINC000177735778 823518537 /nfs/dbraw/zinc/51/85/37/823518537.db2.gz JXJLADYGVVDTBN-ZWKOTPCHSA-N 1 0 379.570 4.074 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)C[N@@H+](C)[C@H](C)[C@H](C)c2ccc(Cl)cc2)cc1 ZINC000177742506 823519204 /nfs/dbraw/zinc/51/92/04/823519204.db2.gz JPWHDZMWWGWUEW-LSDHHAIUSA-N 1 0 387.911 4.361 20 0 GIADRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1O ZINC000060358916 823519457 /nfs/dbraw/zinc/51/94/57/823519457.db2.gz IUSYEZBLRZOBJH-UHFFFAOYSA-N 1 0 395.330 4.222 20 0 GIADRO CCCc1cccc(C(C)C)c1NC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000189970860 823519456 /nfs/dbraw/zinc/51/94/56/823519456.db2.gz KJUURNZKANGYLQ-IBGZPJMESA-N 1 0 375.557 4.337 20 0 GIADRO CCCc1cccc(C(C)C)c1NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000189970876 823519496 /nfs/dbraw/zinc/51/94/96/823519496.db2.gz KJUURNZKANGYLQ-LJQANCHMSA-N 1 0 375.557 4.337 20 0 GIADRO CC1(C(=O)Oc2ccc(N3CCCC3=O)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000123546191 823519989 /nfs/dbraw/zinc/51/99/89/823519989.db2.gz MPDIDBQKOUTEMV-UHFFFAOYSA-N 1 0 392.499 4.021 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1ccc(SC(F)(F)F)cc1)c1cccc(F)c1 ZINC000032729548 820998856 /nfs/dbraw/zinc/99/88/56/820998856.db2.gz VTNVAEAJWAUQBF-INIZCTEOSA-N 1 0 386.414 4.470 20 0 GIADRO C[C@@H](CNC(=O)c1cc(-c2ccccn2)nc2ccccc21)[N@@H+]1CCCC[C@H]1C ZINC000032732571 820999712 /nfs/dbraw/zinc/99/97/12/820999712.db2.gz FGXMBYFUXVKVGO-MSOLQXFVSA-N 1 0 388.515 4.290 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)[C@@H](C)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000460816847 823520491 /nfs/dbraw/zinc/52/04/91/823520491.db2.gz XJVCCTDZPSRWHX-MGPUTAFESA-N 1 0 388.458 4.030 20 0 GIADRO CCOc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1ccc(N3CCOC3=O)cc1)CCO2 ZINC000177752329 823520647 /nfs/dbraw/zinc/52/06/47/823520647.db2.gz CTTCCXWXTCCDDE-YWZLYKJASA-N 1 0 382.460 4.216 20 0 GIADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccc(Br)s1 ZINC000032761215 821003965 /nfs/dbraw/zinc/00/39/65/821003965.db2.gz HQWZSUAGPZIRNX-NSHDSACASA-N 1 0 385.352 4.139 20 0 GIADRO O=C(CCSc1ccc(F)cc1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000032761416 821004358 /nfs/dbraw/zinc/00/43/58/821004358.db2.gz QLEQUUOBXBOJIH-KRWDZBQOSA-N 1 0 378.538 4.323 20 0 GIADRO COc1ccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c2ccccc12 ZINC000032761974 821004622 /nfs/dbraw/zinc/00/46/22/821004622.db2.gz CWJPMZJNXFMBCI-IBGZPJMESA-N 1 0 380.513 4.477 20 0 GIADRO CC[C@H](NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1c(C)noc1C ZINC000123562057 823521596 /nfs/dbraw/zinc/52/15/96/823521596.db2.gz IVPRILLXPWLGRY-NDXORKPFSA-N 1 0 398.551 4.295 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)c1ccc(F)c(Br)c1 ZINC000177771776 823523920 /nfs/dbraw/zinc/52/39/20/823523920.db2.gz ZSLABAQMGKADTC-CYBMUJFWSA-N 1 0 389.272 4.079 20 0 GIADRO Fc1ccc(C[N@H+](CCc2ccccn2)Cc2cccc3c2OCCO3)cc1 ZINC000060381394 823521897 /nfs/dbraw/zinc/52/18/97/823521897.db2.gz QTOCDEITQPCBIO-UHFFFAOYSA-N 1 0 378.447 4.237 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(Cl)c(Cl)n1C)c1cccc(OC)c1 ZINC000032949669 821022286 /nfs/dbraw/zinc/02/22/86/821022286.db2.gz DKMMZLLEDOKDHK-KRWDZBQOSA-N 1 0 398.334 4.153 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CSc1ccc(Cl)cc1 ZINC000060389919 823522894 /nfs/dbraw/zinc/52/28/94/823522894.db2.gz VRDFIKAEOBCGGU-UHFFFAOYSA-N 1 0 389.952 4.131 20 0 GIADRO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCOc1ccc2ccccc2c1 ZINC000177768367 823523152 /nfs/dbraw/zinc/52/31/52/823523152.db2.gz OPVWXBBLNJGTBD-DVECYGJZSA-N 1 0 375.516 4.114 20 0 GIADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)CCc2ccc(Cl)cc2Cl)o1 ZINC000060407257 823524189 /nfs/dbraw/zinc/52/41/89/823524189.db2.gz KZFIODMZBRWPSG-UHFFFAOYSA-N 1 0 383.319 4.418 20 0 GIADRO C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCOc1ccc2ccccc2c1 ZINC000177768380 823523304 /nfs/dbraw/zinc/52/33/04/823523304.db2.gz OPVWXBBLNJGTBD-CYFREDJKSA-N 1 0 375.516 4.114 20 0 GIADRO CC[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1)c1ccc(F)cc1 ZINC000460849593 823528229 /nfs/dbraw/zinc/52/82/29/823528229.db2.gz WWCSHYAYPFPDRE-JOCHJYFZSA-N 1 0 384.495 4.062 20 0 GIADRO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(-c4ccc(F)cc4)o3)cc2)CC1 ZINC000033583885 821057758 /nfs/dbraw/zinc/05/77/58/821057758.db2.gz GQOZEHFMMUCJSW-UHFFFAOYSA-N 1 0 379.435 4.090 20 0 GIADRO Cc1ccc2c(CC(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3C)coc2c1C ZINC000036036956 821067978 /nfs/dbraw/zinc/06/79/78/821067978.db2.gz XHLRQIOYTCSYQD-UHFFFAOYSA-N 1 0 391.515 4.291 20 0 GIADRO Cc1cc(C)c(Br)c(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000123666900 823530088 /nfs/dbraw/zinc/53/00/88/823530088.db2.gz QOBIUEAPSXFQIE-MRXNPFEDSA-N 1 0 379.342 4.014 20 0 GIADRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)NC12CC3CC(CC(C3)C1)C2 ZINC000036330668 821070926 /nfs/dbraw/zinc/07/09/26/821070926.db2.gz FHGMTVBOXNCKKA-UHFFFAOYSA-N 1 0 381.564 4.167 20 0 GIADRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1 ZINC000460858755 823530124 /nfs/dbraw/zinc/53/01/24/823530124.db2.gz JSXIYNYJHGYLBY-GFCCVEGCSA-N 1 0 397.306 4.036 20 0 GIADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc2ccccc2cc1NC(=O)C1CC1 ZINC000060451945 823529198 /nfs/dbraw/zinc/52/91/98/823529198.db2.gz KYLDMXGGOFRPMB-QGZVFWFLSA-N 1 0 395.547 4.429 20 0 GIADRO FC(F)(F)c1ccc(-c2ccc(C[NH2+]CCCOC[C@H]3CCOC3)o2)cc1 ZINC000123649104 823529321 /nfs/dbraw/zinc/52/93/21/823529321.db2.gz OTMHXOSOALGMJZ-OAHLLOKOSA-N 1 0 383.410 4.498 20 0 GIADRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1COc1ccccc1 ZINC000036668104 821075499 /nfs/dbraw/zinc/07/54/99/821075499.db2.gz SQLFMEMOHKUGBL-JOCHJYFZSA-N 1 0 386.495 4.270 20 0 GIADRO CCc1ccc([C@@H](CNC(=O)c2ccc(OC(C)C)c(OC)c2)[NH+](C)C)cc1 ZINC000036684823 821075803 /nfs/dbraw/zinc/07/58/03/821075803.db2.gz WJRPAQSLSCBIPY-HXUWFJFHSA-N 1 0 384.520 4.078 20 0 GIADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2csc(-c3ccc(C)cc3)n2)o1 ZINC000060407254 823524249 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396.531 4.012 20 0 GIADRO FC(F)(F)c1ccc2oc(C[N@H+](C[C@@H]3CCCO3)[C@@H]3CCSC3)nc2c1 ZINC000123603633 823525097 /nfs/dbraw/zinc/52/50/97/823525097.db2.gz IKCFHEPPEBDUDW-KGLIPLIRSA-N 1 0 386.439 4.333 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000036883749 821089348 /nfs/dbraw/zinc/08/93/48/821089348.db2.gz LCTSATYXLGBFLO-QFIPXVFZSA-N 1 0 388.515 4.056 20 0 GIADRO COc1cc(C[NH2+]Cc2ccc(Br)s2)cc(Cl)c1OC ZINC000037985150 821094137 /nfs/dbraw/zinc/09/41/37/821094137.db2.gz SAWAOGREDBUBOB-UHFFFAOYSA-N 1 0 376.703 4.471 20 0 GIADRO O[C@H](C[NH2+]Cc1ccc(Br)s1)c1cccc(Br)c1 ZINC000037984826 821094207 /nfs/dbraw/zinc/09/42/07/821094207.db2.gz RFBCTLYWJFNPOL-GFCCVEGCSA-N 1 0 391.128 4.096 20 0 GIADRO O=C(NC1CC1)[C@H](c1ccccc1)[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000038372076 821095738 /nfs/dbraw/zinc/09/57/38/821095738.db2.gz XQGOYBFIVMQHMP-UWJYYQICSA-N 1 0 391.540 4.496 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cnn(CCC(C)C)c1C ZINC000123657965 823529704 /nfs/dbraw/zinc/52/97/04/823529704.db2.gz KYWQXZWXJQHJAZ-JOCHJYFZSA-N 1 0 396.579 4.222 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCSCC2)c1)c1c(F)c(F)cc(F)c1F ZINC000177782978 823525734 /nfs/dbraw/zinc/52/57/34/823525734.db2.gz QLXNMZOXFQHFJS-UHFFFAOYSA-N 1 0 384.398 4.044 20 0 GIADRO COc1cc2c(cc1OC)C[N@H+](Cc1ccccc1NCc1cccnc1)CC2 ZINC000123613961 823525965 /nfs/dbraw/zinc/52/59/65/823525965.db2.gz IUOWYRAQNZZUSR-UHFFFAOYSA-N 1 0 389.499 4.269 20 0 GIADRO CCOC1CC(CCNC(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)C1 ZINC000190014088 823526069 /nfs/dbraw/zinc/52/60/69/823526069.db2.gz VBYPDHSCVYTBFS-UHFFFAOYSA-N 1 0 380.532 4.254 20 0 GIADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(Cl)s2)cc1 ZINC000177816775 823529747 /nfs/dbraw/zinc/52/97/47/823529747.db2.gz TXVMLFQXTOKISB-ZDUSSCGKSA-N 1 0 386.970 4.283 20 0 GIADRO COc1ccc(C)cc1NC(=O)C[NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000177815534 823529783 /nfs/dbraw/zinc/52/97/83/823529783.db2.gz ROHBHPIRQGHKKW-ZDUSSCGKSA-N 1 0 382.382 4.192 20 0 GIADRO CC[C@H](NC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1)c1c(C)noc1C ZINC000123623408 823526895 /nfs/dbraw/zinc/52/68/95/823526895.db2.gz ZDOUZFNARPZMHC-SNRMKQJTSA-N 1 0 376.545 4.039 20 0 GIADRO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cc(NC(=O)CC(C)(C)C)ccc1Cl ZINC000460844597 823527080 /nfs/dbraw/zinc/52/70/80/823527080.db2.gz FDPJYCRGPNFBOJ-MRXNPFEDSA-N 1 0 395.975 4.421 20 0 GIADRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]C[C@H](O)COc3ccccc3)s2)cc1 ZINC000177798071 823527199 /nfs/dbraw/zinc/52/71/99/823527199.db2.gz SBLASCAEPSIWSR-QAPCUYQASA-N 1 0 398.528 4.218 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000177820954 823530636 /nfs/dbraw/zinc/53/06/36/823530636.db2.gz BIKQIADQQNWNBV-UXHICEINSA-N 1 0 396.560 4.464 20 0 GIADRO Cc1noc(C)c1C[C@H](C)NC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000123680488 823531239 /nfs/dbraw/zinc/53/12/39/823531239.db2.gz LZGGDDISCQKIRW-IRXDYDNUSA-N 1 0 398.551 4.096 20 0 GIADRO CC(C)Cc1ccc(C(=O)C2CC[NH+](CCC(=O)NC3CCCC3)CC2)cc1 ZINC000060468834 823531427 /nfs/dbraw/zinc/53/14/27/823531427.db2.gz CRAMLOXNSQSSJG-UHFFFAOYSA-N 1 0 384.564 4.229 20 0 GIADRO COc1ccccc1NC(=O)C1CC[NH+](Cc2ccc(OC(F)F)cc2)CC1 ZINC000060468288 823531547 /nfs/dbraw/zinc/53/15/47/823531547.db2.gz DAKWPHRMBOZZLR-UHFFFAOYSA-N 1 0 390.430 4.147 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)cc1 ZINC000123687618 823531688 /nfs/dbraw/zinc/53/16/88/823531688.db2.gz NSHIUKSKRITZEZ-QZTJIDSGSA-N 1 0 376.422 4.187 20 0 GIADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1cc(-c2ccccc2)nc2cc(F)ccc21 ZINC000060470574 823531712 /nfs/dbraw/zinc/53/17/12/823531712.db2.gz BBWDJPCNWJYMRR-KRWDZBQOSA-N 1 0 375.447 4.007 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000177846848 823535514 /nfs/dbraw/zinc/53/55/14/823535514.db2.gz YMNPEDLNJIHJME-HNNXBMFYSA-N 1 0 398.532 4.040 20 0 GIADRO Cc1cccc(-c2nn(Cc3ccccc3)cc2C[N@@H+]2CC[C@@H](O)[C@H](C)C2)c1 ZINC000190057324 823531883 /nfs/dbraw/zinc/53/18/83/823531883.db2.gz KVSRQSDCDYZPHR-AUSIDOKSSA-N 1 0 375.516 4.110 20 0 GIADRO CCOC1CC(CC(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)C1 ZINC000190057678 823531901 /nfs/dbraw/zinc/53/19/01/823531901.db2.gz NIRMOQDBOGGIOJ-UHFFFAOYSA-N 1 0 380.532 4.237 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000177846856 823535557 /nfs/dbraw/zinc/53/55/57/823535557.db2.gz YMNPEDLNJIHJME-OAHLLOKOSA-N 1 0 398.532 4.040 20 0 GIADRO COc1ccccc1OCCC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000060475342 823532147 /nfs/dbraw/zinc/53/21/47/823532147.db2.gz LDIONYKPHACWNY-LJQANCHMSA-N 1 0 396.531 4.155 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1cc(-c2ccco2)on1 ZINC000060475362 823532392 /nfs/dbraw/zinc/53/23/92/823532392.db2.gz QBKYALMAHHETIM-MRXNPFEDSA-N 1 0 379.460 4.239 20 0 GIADRO CCOc1ccc(C(=O)N2CCC([NH2+][C@@H](C)[C@@H](C)c3ccccc3)CC2)cc1 ZINC000177828857 823532424 /nfs/dbraw/zinc/53/24/24/823532424.db2.gz WKDKZJQHEIXQCO-MOPGFXCFSA-N 1 0 380.532 4.472 20 0 GIADRO Cc1cc(C[N@H+](C)CCC(=O)NC2CCCC2)cc(C)c1OCC(F)(F)F ZINC000060479680 823532825 /nfs/dbraw/zinc/53/28/25/823532825.db2.gz YFGGRSUOIYWFPU-UHFFFAOYSA-N 1 0 386.458 4.125 20 0 GIADRO O=C(COc1ccc(-c2ccccc2)cc1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000040653956 821163377 /nfs/dbraw/zinc/16/33/77/821163377.db2.gz ZYNUILOVOWOWRR-JOCHJYFZSA-N 1 0 390.483 4.279 20 0 GIADRO Cc1c([C@@H](C)NC2CC[NH+](CC(C)C)CC2)nnn1-c1ccc(Cl)cc1 ZINC000177836493 823533845 /nfs/dbraw/zinc/53/38/45/823533845.db2.gz KTHJKMABFBRCMJ-OAHLLOKOSA-N 1 0 375.948 4.000 20 0 GIADRO CCCc1noc2nc(C3CC3)cc(C(=O)NCC3([NH+](C)C)CCCCC3)c12 ZINC000060489539 823533855 /nfs/dbraw/zinc/53/38/55/823533855.db2.gz NAMWHMONTVYNQP-UHFFFAOYSA-N 1 0 384.524 4.047 20 0 GIADRO Brc1ccccc1-c1noc([C@@H]2CCC[N@@H+]2CC[C@@H]2CCCO2)n1 ZINC000190073278 823534021 /nfs/dbraw/zinc/53/40/21/823534021.db2.gz WWUJDUVJEYKVFE-BBRMVZONSA-N 1 0 392.297 4.205 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000177839118 823534536 /nfs/dbraw/zinc/53/45/36/823534536.db2.gz XGNDGPYJBAGKBP-MSOLQXFVSA-N 1 0 388.512 4.124 20 0 GIADRO CCSc1cc(Cl)ccc1C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000123720065 823534790 /nfs/dbraw/zinc/53/47/90/823534790.db2.gz UUECVKSLRGDTHK-UHFFFAOYSA-N 1 0 396.984 4.169 20 0 GIADRO COc1ccccc1NC(=S)C(C(=O)c1ccc(C)cc1)[n+]1ccccc1 ZINC000041465495 821194805 /nfs/dbraw/zinc/19/48/05/821194805.db2.gz HKWPKHLHRCPSJQ-UHFFFAOYSA-O 1 0 377.489 4.342 20 0 GIADRO CCc1noc(C)c1C(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000411022660 823535073 /nfs/dbraw/zinc/53/50/73/823535073.db2.gz RPIIEANRPLDJRQ-QFIPXVFZSA-N 1 0 395.547 4.308 20 0 GIADRO Cc1cccc(N2CC[NH+](CCCCNC(=O)CCCc3cccs3)CC2)c1 ZINC000041479274 821196828 /nfs/dbraw/zinc/19/68/28/821196828.db2.gz WMHFKNCHMDBHBV-UHFFFAOYSA-N 1 0 399.604 4.098 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(OCc3cccc(C)c3)cc2)C1 ZINC000177849459 823536162 /nfs/dbraw/zinc/53/61/62/823536162.db2.gz VDCOWBFVJWXRMN-QFIPXVFZSA-N 1 0 395.547 4.057 20 0 GIADRO COc1cc(C)c([C@H](C)[NH2+]CC(=O)Nc2cccc(Cl)c2C)cc1OC ZINC000177850940 823536190 /nfs/dbraw/zinc/53/61/90/823536190.db2.gz WSSSXWDNKMSPOQ-AWEZNQCLSA-N 1 0 376.884 4.263 20 0 GIADRO CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000460888014 823536300 /nfs/dbraw/zinc/53/63/00/823536300.db2.gz VGHIBKSPEJSOAS-FGZHOGPDSA-N 1 0 387.568 4.204 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)[NH2+]CC(=O)Nc2cccc(Cl)c2C)cc1 ZINC000177851419 823536370 /nfs/dbraw/zinc/53/63/70/823536370.db2.gz GWGHEOYXEUJMHN-HNNXBMFYSA-N 1 0 382.895 4.432 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=S)Nc1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000041746717 821222542 /nfs/dbraw/zinc/22/25/42/821222542.db2.gz YCTAZZMZYITQEQ-INIZCTEOSA-N 1 0 378.523 4.026 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(Cl)c(OC)c3)c(C)c2)CC1 ZINC000123752791 823537417 /nfs/dbraw/zinc/53/74/17/823537417.db2.gz JIPZDWRQCJJUPZ-UHFFFAOYSA-N 1 0 387.911 4.051 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cc4ccccc4[nH]c3=O)cc2)C1 ZINC000060548816 823541034 /nfs/dbraw/zinc/54/10/34/823541034.db2.gz DLGIARYXPFQFOM-MRXNPFEDSA-N 1 0 375.472 4.012 20 0 GIADRO CC[C@@H](Cc1ccccc1Br)C(=O)NC(C)(C)CCC[NH+](C)C ZINC000411051809 823538051 /nfs/dbraw/zinc/53/80/51/823538051.db2.gz UVHGNRIHAAVSAO-HNNXBMFYSA-N 1 0 383.374 4.254 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C[C@H]3OC(=O)c4ccccc43)cc2)C1 ZINC000060548867 823541062 /nfs/dbraw/zinc/54/10/62/823541062.db2.gz PAGMGEPYQMTLRL-IIBYNOLFSA-N 1 0 378.472 4.159 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)o1 ZINC000041865704 821239681 /nfs/dbraw/zinc/23/96/81/821239681.db2.gz NAIYXFFWPJNJOF-UHFFFAOYSA-N 1 0 389.883 4.154 20 0 GIADRO CC[NH+](CC)[C@H](C)CNC(=O)c1ccc(SCc2cn3ccccc3n2)cc1 ZINC000041924689 821245991 /nfs/dbraw/zinc/24/59/91/821245991.db2.gz IXYIWZVYDUPOJL-QGZVFWFLSA-N 1 0 396.560 4.087 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)C1(c2cccc(F)c2)CCC1 ZINC000060532466 823539181 /nfs/dbraw/zinc/53/91/81/823539181.db2.gz BSMLESLNLYNOHK-UHFFFAOYSA-N 1 0 398.522 4.284 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NC[C@@H](c2ccccc2)C(C)C)c1 ZINC000042000095 821252662 /nfs/dbraw/zinc/25/26/62/821252662.db2.gz XHUKYYZQEBGFAF-JOCHJYFZSA-N 1 0 395.547 4.023 20 0 GIADRO CCCN(CC[NH+](C)C)C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 ZINC000123773276 823539390 /nfs/dbraw/zinc/53/93/90/823539390.db2.gz JVCZOGYOYYUPFE-UHFFFAOYSA-N 1 0 398.334 4.381 20 0 GIADRO COc1cc(C)c([C@@H](C)[NH2+]Cc2cccc(C(=O)N3CCCCC3)c2)cc1OC ZINC000177874928 823539781 /nfs/dbraw/zinc/53/97/81/823539781.db2.gz PBXYQYYZMQCIPA-GOSISDBHSA-N 1 0 396.531 4.489 20 0 GIADRO Cc1cc(C)c(NC(=O)CNC(=O)C[NH2+][C@@H](CC(C)C)c2ccccc2)c(C)c1 ZINC000123777293 823539847 /nfs/dbraw/zinc/53/98/47/823539847.db2.gz GYGCCFAXBNLJFF-NRFANRHFSA-N 1 0 395.547 4.044 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2cc3ccc(F)cc3nc2C)CC1 ZINC000042127297 821270392 /nfs/dbraw/zinc/27/03/92/821270392.db2.gz UHTKRMYEPWAPLY-UHFFFAOYSA-N 1 0 391.490 4.385 20 0 GIADRO Cc1ccc(C(=O)CCC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)s1 ZINC000042127396 821270696 /nfs/dbraw/zinc/27/06/96/821270696.db2.gz HPOMYZBFBROQGR-UHFFFAOYSA-N 1 0 384.545 4.109 20 0 GIADRO CCSc1cccc(NC(=O)C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000190122699 823540475 /nfs/dbraw/zinc/54/04/75/823540475.db2.gz PPLDKZXFPYWXDW-UHFFFAOYSA-N 1 0 397.544 4.362 20 0 GIADRO O[C@H](COc1ccc(Cl)cc1)C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000042132482 821272042 /nfs/dbraw/zinc/27/20/42/821272042.db2.gz PEQWUTJPBDHLOO-RDJZCZTQSA-N 1 0 386.879 4.101 20 0 GIADRO Cc1ccccc1CNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000042132590 821272602 /nfs/dbraw/zinc/27/26/02/821272602.db2.gz DKNGDPLZLCRQNM-MJGOQNOKSA-N 1 0 377.488 4.021 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(C)n(C(C)C)c3C)c(C)c2)CC1 ZINC000042158165 821276724 /nfs/dbraw/zinc/27/67/24/821276724.db2.gz WJDDSJZBSHGVCE-UHFFFAOYSA-N 1 0 382.552 4.388 20 0 GIADRO COc1ccc([C@@H](O)C[NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)cc1 ZINC000042202498 821283591 /nfs/dbraw/zinc/28/35/91/821283591.db2.gz HYVGSSVCUURBKG-SFHVURJKSA-N 1 0 380.469 4.388 20 0 GIADRO c1cn(Cc2ccc(C[NH2+]Cc3ccccc3OCc3cccnc3)cc2)cn1 ZINC000042228104 821288561 /nfs/dbraw/zinc/28/85/61/821288561.db2.gz RLTWBRIVEZECPH-UHFFFAOYSA-N 1 0 384.483 4.195 20 0 GIADRO COc1cc([C@@H](C)NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)ccc1OC(C)C ZINC000042329805 821301217 /nfs/dbraw/zinc/30/12/17/821301217.db2.gz IWNGCKBJXPQNFR-OAHLLOKOSA-N 1 0 391.556 4.152 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)N[C@H](C)c1nc2ccccc2[nH]1)c1ccsc1 ZINC000042346039 821302406 /nfs/dbraw/zinc/30/24/06/821302406.db2.gz JSYYCDVRNWIOPO-KDOFPFPSSA-N 1 0 385.537 4.068 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccsc1 ZINC000042345968 821302578 /nfs/dbraw/zinc/30/25/78/821302578.db2.gz RZSLAMIOTDSXIB-HXUWFJFHSA-N 1 0 388.581 4.039 20 0 GIADRO COc1ccc(CN(C)C(=O)[C@H](C)[N@@H+]2CCC[C@@H]2c2cccs2)cc1F ZINC000042356274 821303867 /nfs/dbraw/zinc/30/38/67/821303867.db2.gz ZJSGKWXVHOBNLO-WMLDXEAASA-N 1 0 376.497 4.080 20 0 GIADRO CC(C)NS(=O)(=O)Cc1ccc(C[NH2+]Cc2ccc(C(C)(C)C)cc2)cc1 ZINC000042564724 821310897 /nfs/dbraw/zinc/31/08/97/821310897.db2.gz ZHYNKFUIKVYLAL-UHFFFAOYSA-N 1 0 388.577 4.102 20 0 GIADRO COc1ccc(C[NH2+][C@@H](C)Cc2ccc(Br)cc2)c(OC)c1OC ZINC000042791393 821332905 /nfs/dbraw/zinc/33/29/05/821332905.db2.gz KVJRVFVIPZNASD-ZDUSSCGKSA-N 1 0 394.309 4.196 20 0 GIADRO O=C(NCCc1ccc(Cl)cc1Cl)N1CCC([NH+]2CCCCC2)CC1 ZINC000043002530 821353767 /nfs/dbraw/zinc/35/37/67/821353767.db2.gz WQGRHYQTYLRZEQ-UHFFFAOYSA-N 1 0 384.351 4.196 20 0 GIADRO C[C@H](Oc1ccc(F)cc1Br)C(=O)Nc1ccccc1C[NH+](C)C ZINC000043039206 821356095 /nfs/dbraw/zinc/35/60/95/821356095.db2.gz XLVCDOTZSNEXLE-LBPRGKRZSA-N 1 0 395.272 4.056 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1C(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC000043113845 821363130 /nfs/dbraw/zinc/36/31/30/821363130.db2.gz CATPTTRXCHKWHS-UHFFFAOYSA-N 1 0 375.513 4.202 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)Nc1ccccc1Br ZINC000043133625 821365190 /nfs/dbraw/zinc/36/51/90/821365190.db2.gz XQQPWEJNGOUEIJ-HNNXBMFYSA-N 1 0 378.270 4.001 20 0 GIADRO COc1ccc([C@H]2CCCN2C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000043137269 821366382 /nfs/dbraw/zinc/36/63/82/821366382.db2.gz KYRZXZFGOPOGRT-RTWAWAEBSA-N 1 0 397.519 4.362 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1)c1cccs1 ZINC000043143604 821367515 /nfs/dbraw/zinc/36/75/15/821367515.db2.gz MZBLXTTVUHKLGZ-WBVHZDCISA-N 1 0 398.532 4.081 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N(Cc1ccco1)Cc1ccccc1 ZINC000043167440 821372223 /nfs/dbraw/zinc/37/22/23/821372223.db2.gz IUVIUWBGHHXZQF-OAQYLSRUSA-N 1 0 393.487 4.422 20 0 GIADRO CC(C)c1nccn1Cc1cccc(NC(=O)NCC(C)(C)[NH+]2CCCCC2)c1 ZINC000043190703 821376896 /nfs/dbraw/zinc/37/68/96/821376896.db2.gz FTDYTUBRGNANGZ-UHFFFAOYSA-N 1 0 397.567 4.441 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000043192804 821377282 /nfs/dbraw/zinc/37/72/82/821377282.db2.gz QKBLPHNANCUQKD-HNNXBMFYSA-N 1 0 383.370 4.137 20 0 GIADRO Cn1cc(N2CCC[C@H]([NH2+]C(c3ccc(F)cc3)c3ccc(F)cc3)C2)cn1 ZINC000180636271 821377529 /nfs/dbraw/zinc/37/75/29/821377529.db2.gz MARSPYOEXSFVGM-FQEVSTJZSA-N 1 0 382.458 4.046 20 0 GIADRO C[C@H]1c2ccsc2CCN1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000043231424 821377676 /nfs/dbraw/zinc/37/76/76/821377676.db2.gz BNCXDJRGDOWPDO-HOCLYGCPSA-N 1 0 375.563 4.275 20 0 GIADRO CCCc1csc(NC(=O)N(Cc2ccncc2)C[C@H]2CCC[N@@H+]2CC)n1 ZINC000180640758 821379018 /nfs/dbraw/zinc/37/90/18/821379018.db2.gz WGZZAMYEQVRPBJ-GOSISDBHSA-N 1 0 387.553 4.009 20 0 GIADRO Cn1ccnc1[C@@H](O)[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3F)s2)C1 ZINC000180647758 821381390 /nfs/dbraw/zinc/38/13/90/821381390.db2.gz PYCRWACGLKWKHB-QRWLVFNGSA-N 1 0 385.508 4.233 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1ccc(Br)cc1F)c1cccc(F)c1 ZINC000043260212 821382190 /nfs/dbraw/zinc/38/21/90/821382190.db2.gz OMOURZCUTJGTRT-MRXNPFEDSA-N 1 0 398.251 4.152 20 0 GIADRO COc1ccc(C[N@H+]2CC=C(c3c[nH]c4ccccc43)CC2)c(OC)c1OC ZINC000180658292 821385767 /nfs/dbraw/zinc/38/57/67/821385767.db2.gz BUYHBEMJWAOMHF-UHFFFAOYSA-N 1 0 378.472 4.483 20 0 GIADRO COC(=O)CC[C@@H]([NH2+][C@@H](C)c1cnn(Cc2ccccc2)c1)c1ccccc1 ZINC000180666443 821387758 /nfs/dbraw/zinc/38/77/58/821387758.db2.gz QBOXDUOELVYEDN-PGRDOPGGSA-N 1 0 377.488 4.277 20 0 GIADRO COC(=O)CC[C@H]([NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1)c1ccccc1 ZINC000180675381 821391398 /nfs/dbraw/zinc/39/13/98/821391398.db2.gz MBNADNLAQDADAB-KKSFZXQISA-N 1 0 395.503 4.316 20 0 GIADRO C[C@H]([NH2+]CC1(c2ccccc2Cl)CCOCC1)c1ccc([S@@](C)=O)cc1 ZINC000180677524 821392111 /nfs/dbraw/zinc/39/21/11/821392111.db2.gz RLAZBVKRGAKKBK-YHAMSUFESA-N 1 0 391.964 4.476 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1)c1cnn(Cc2ccccc2)c1 ZINC000180688913 821395667 /nfs/dbraw/zinc/39/56/67/821395667.db2.gz KEMWVFZGVQCTOU-MGPUTAFESA-N 1 0 389.421 4.334 20 0 GIADRO Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)c1C ZINC000180689723 821396252 /nfs/dbraw/zinc/39/62/52/821396252.db2.gz ASLUQNRLARQICO-KUHUBIRLSA-N 1 0 394.437 4.363 20 0 GIADRO C[C@H]([NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)c1cccc(-n2cccn2)c1 ZINC000180690011 821396468 /nfs/dbraw/zinc/39/64/68/821396468.db2.gz OYISKZPSJDIPBD-IVMQYODDSA-N 1 0 384.524 4.359 20 0 GIADRO COCCOc1ccc([C@H](C)[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)cc1 ZINC000180690435 821397094 /nfs/dbraw/zinc/39/70/94/821397094.db2.gz DXQTUAKBIAMSOG-IFXJQAMLSA-N 1 0 383.410 4.115 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)s1 ZINC000180693173 821398394 /nfs/dbraw/zinc/39/83/94/821398394.db2.gz SLXKVMNWCLCOQN-IAQYHMDHSA-N 1 0 388.455 4.043 20 0 GIADRO CC[C@@H]([NH2+]CCCC(=O)N1CCc2cc(OC)c(OC)cc2C1)c1ccccc1 ZINC000180696123 821399461 /nfs/dbraw/zinc/39/94/61/821399461.db2.gz ZLUWFZKKOZMQKT-OAQYLSRUSA-N 1 0 396.531 4.110 20 0 GIADRO COc1ccccc1[C@@H]([NH2+]C1CCN(Cc2ccccn2)CC1)c1ccccc1 ZINC000180695363 821399586 /nfs/dbraw/zinc/39/95/86/821399586.db2.gz OCYIITGMVFIVDS-VWLOTQADSA-N 1 0 387.527 4.434 20 0 GIADRO CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@@H](C)c1cc(C)c(C(=O)OC)o1 ZINC000180697683 821401271 /nfs/dbraw/zinc/40/12/71/821401271.db2.gz HTPMTOQDUORQEN-KRWDZBQOSA-N 1 0 385.508 4.069 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)Nc2cc(OC)c(OC)cc2C)cc1 ZINC000043405237 821402958 /nfs/dbraw/zinc/40/29/58/821402958.db2.gz PIQKABUWQDPKCW-UHFFFAOYSA-N 1 0 385.508 4.176 20 0 GIADRO C[C@H]([NH2+]CCc1nc(-c2ccc(Cl)cc2)no1)c1ccc2c(c1)OCCCO2 ZINC000180706305 821407341 /nfs/dbraw/zinc/40/73/41/821407341.db2.gz QQTXGQIEBHBVCM-AWEZNQCLSA-N 1 0 399.878 4.445 20 0 GIADRO Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000180707052 821408320 /nfs/dbraw/zinc/40/83/20/821408320.db2.gz LFVWRJSRAPWDLU-OAHLLOKOSA-N 1 0 398.894 4.248 20 0 GIADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N(C)Cc2ccsc2)CC1 ZINC000043454579 821409854 /nfs/dbraw/zinc/40/98/54/821409854.db2.gz BESHCKBGTSQNGH-UHFFFAOYSA-N 1 0 392.956 4.207 20 0 GIADRO CC(C)[C@@H](CSc1ccccc1)[NH2+]Cc1ccccc1CS(C)(=O)=O ZINC000180716173 821414751 /nfs/dbraw/zinc/41/47/51/821414751.db2.gz DQHDPURGWDSPSZ-HXUWFJFHSA-N 1 0 377.575 4.138 20 0 GIADRO 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 821414865 /nfs/dbraw/zinc/41/48/65/821414865.db2.gz KVVBRKKGASOYKL-JEBQAFNWSA-N 1 0 383.458 4.281 20 0 GIADRO Cc1ccc([C@@H]([NH2+]Cc2ccccc2CS(C)(=O)=O)c2ccccc2)cc1 ZINC000180716117 821414991 /nfs/dbraw/zinc/41/49/91/821414991.db2.gz BEWSMVOGBDCUKL-QHCPKHFHSA-N 1 0 379.525 4.419 20 0 GIADRO CSc1ccc([C@H](C)NC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)cc1 ZINC000043489818 821415896 /nfs/dbraw/zinc/41/58/96/821415896.db2.gz BDCRRMBWGYXFKJ-KRWDZBQOSA-N 1 0 398.576 4.351 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@H](C)c1ccccc1Cl ZINC000043491174 821416479 /nfs/dbraw/zinc/41/64/79/821416479.db2.gz DANYNHWJIOKNHY-MRXNPFEDSA-N 1 0 386.927 4.283 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)N[C@H](c3ccccc3)C3CC3)c(C)c2)CC1 ZINC000043522158 821421957 /nfs/dbraw/zinc/42/19/57/821421957.db2.gz IYDCRXPMDXGYIX-HSZRJFAPSA-N 1 0 392.547 4.410 20 0 GIADRO COc1cc([C@H](C)[NH2+]C[C@H]2C[C@@H]2c2ccccc2)ccc1S(=O)(=O)C(F)F ZINC000180731352 821422107 /nfs/dbraw/zinc/42/21/07/821422107.db2.gz MCWAHEXYPIXMCX-IAOVAPTHSA-N 1 0 395.471 4.146 20 0 GIADRO N#CCOc1ccc(NC(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)cc1 ZINC000043558821 821427507 /nfs/dbraw/zinc/42/75/07/821427507.db2.gz JQGVWUFGMXSYCE-FQEVSTJZSA-N 1 0 398.894 4.201 20 0 GIADRO C[C@H]([NH2+]CC1(N2CCCCC2)CCOCC1)c1ccc(F)c(Br)c1 ZINC000180740466 821428288 /nfs/dbraw/zinc/42/82/88/821428288.db2.gz FDHZGINTGCKTQK-HNNXBMFYSA-N 1 0 399.348 4.274 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccccc1 ZINC000043574110 821428448 /nfs/dbraw/zinc/42/84/48/821428448.db2.gz LKRJESFFHUINCQ-NRFANRHFSA-N 1 0 394.519 4.018 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)N[C@@H]2CCSc3ccccc32)CC1 ZINC000043574412 821428583 /nfs/dbraw/zinc/42/85/83/821428583.db2.gz QWHOKWSGWCQWMT-GOSISDBHSA-N 1 0 396.560 4.187 20 0 GIADRO CC(C)(C)OC(=O)NC1CCC([NH2+]C2CCN(c3cccs3)CC2)CC1 ZINC000180751622 821433980 /nfs/dbraw/zinc/43/39/80/821433980.db2.gz WLURUVZAYVJUOJ-UHFFFAOYSA-N 1 0 379.570 4.142 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)c2c(C)c3ccccc3oc2=O)CC1 ZINC000180753983 821435476 /nfs/dbraw/zinc/43/54/76/821435476.db2.gz ASKXOJHAJUMMCG-UHFFFAOYSA-N 1 0 384.520 4.076 20 0 GIADRO Cn1cc([C@@H]([NH2+]C[C@H](O)c2cc3ccccc3s2)c2cccc(F)c2)cn1 ZINC000180762040 821440651 /nfs/dbraw/zinc/44/06/51/821440651.db2.gz YREDHXKPNUFOTA-RXVVDRJESA-N 1 0 381.476 4.187 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1cccc(OCc2ccccc2)c1 ZINC000180767055 821443393 /nfs/dbraw/zinc/44/33/93/821443393.db2.gz QFYJCYTUEQCMPP-BEFAXECRSA-N 1 0 392.421 4.079 20 0 GIADRO CC[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc2cc(OC)ccc2c1 ZINC000180767686 821443806 /nfs/dbraw/zinc/44/38/06/821443806.db2.gz YXFUOJGKRPFNPP-ZWKOTPCHSA-N 1 0 380.410 4.052 20 0 GIADRO CCN(CC)C(=O)CCC1CC[NH+](Cc2c(C3CC3)nc3sccn23)CC1 ZINC000180772236 821446569 /nfs/dbraw/zinc/44/65/69/821446569.db2.gz SHKSBXAUKFZMSP-UHFFFAOYSA-N 1 0 388.581 4.134 20 0 GIADRO CCN(CC)C(=O)CCC1CC[NH+](Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000180772622 821447182 /nfs/dbraw/zinc/44/71/82/821447182.db2.gz UYMHYHLJYDGSQJ-UHFFFAOYSA-N 1 0 386.515 4.076 20 0 GIADRO CCC(CC)n1nc(C)cc1C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000180773601 821447916 /nfs/dbraw/zinc/44/79/16/821447916.db2.gz MTZBIUBCQCUFOT-UHFFFAOYSA-N 1 0 382.552 4.289 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CCNC(=O)c2c(F)cccc2F)c2ccccc12 ZINC000180788138 821458812 /nfs/dbraw/zinc/45/88/12/821458812.db2.gz UDQJVBNAYGFISO-CQSZACIVSA-N 1 0 384.426 4.207 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+]CCCOc2cccc3cccnc32)s1 ZINC000180804896 821468218 /nfs/dbraw/zinc/46/82/18/821468218.db2.gz BCCOSOWKFLCIDV-OAHLLOKOSA-N 1 0 385.533 4.308 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1c(Cl)cccc1Cl)c1ccc(-n2cccn2)cc1 ZINC000180828072 821483721 /nfs/dbraw/zinc/48/37/21/821483721.db2.gz SWDLVRZTVYQVHT-CYBMUJFWSA-N 1 0 389.286 4.468 20 0 GIADRO C[C@@H]([NH2+]C[C@H](O)c1ccccc1Br)c1ccc(-n2cccn2)cc1 ZINC000180840213 821489072 /nfs/dbraw/zinc/48/90/72/821489072.db2.gz XTVMWLNQWFQRMB-KUHUBIRLSA-N 1 0 386.293 4.019 20 0 GIADRO C[C@H]([NH2+]CCc1nc2c(s1)CCCC2)c1ccc(OCc2nccn2C)cc1 ZINC000180839888 821489119 /nfs/dbraw/zinc/48/91/19/821489119.db2.gz AHLZGXIYJFIKRF-INIZCTEOSA-N 1 0 396.560 4.228 20 0 GIADRO COC[C@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1)c1ccccc1 ZINC000180844585 821490580 /nfs/dbraw/zinc/49/05/80/821490580.db2.gz ZQQFHTYMJQCKPZ-VGSWGCGISA-N 1 0 387.545 4.441 20 0 GIADRO C[C@H]([NH2+]CCCc1nc(-c2ccncc2)cs1)c1ccc([S@](C)=O)cc1 ZINC000180849633 821494135 /nfs/dbraw/zinc/49/41/35/821494135.db2.gz AGCHTONCFWTNPP-HAWMADMCSA-N 1 0 385.558 4.226 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)CCc2ccc3[nH]ccc3c2)CC1 ZINC000180850189 821494567 /nfs/dbraw/zinc/49/45/67/821494567.db2.gz TUYQTQPDKSGXRF-GOSISDBHSA-N 1 0 375.516 4.442 20 0 GIADRO Cc1cc2ncc([C@H](C)[NH2+]CCCc3nc(-c4ccncc4)cs3)c(C)n2n1 ZINC000180850093 821494865 /nfs/dbraw/zinc/49/48/65/821494865.db2.gz GEMVPRJFGZFMAW-HNNXBMFYSA-N 1 0 392.532 4.148 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@H](C)c1nc2ccccc2[nH]1 ZINC000043993597 821499278 /nfs/dbraw/zinc/49/92/78/821499278.db2.gz POVJKBRAMIKEEL-MRXNPFEDSA-N 1 0 395.507 4.166 20 0 GIADRO O=C([C@H](c1ccccc1)[NH+]1CCC([C@H](O)c2ccccc2)CC1)N1CCCCC1 ZINC000043998862 821499773 /nfs/dbraw/zinc/49/97/73/821499773.db2.gz KKZXLTRQZCSKQK-BJKOFHAPSA-N 1 0 392.543 4.186 20 0 GIADRO Cc1ccc(-c2n[nH]cc2CNc2cccc(C[NH+]3CCSCC3)c2C)o1 ZINC000180880860 821510630 /nfs/dbraw/zinc/51/06/30/821510630.db2.gz UKIFMJLCXBAPTI-UHFFFAOYSA-N 1 0 382.533 4.447 20 0 GIADRO N#Cc1ccccc1NC(=S)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000044058717 821514366 /nfs/dbraw/zinc/51/43/66/821514366.db2.gz FVCWMWDRWOOLHY-UHFFFAOYSA-N 1 0 384.936 4.163 20 0 GIADRO C[C@@H]([NH2+]CCCO[C@H]1CCCc2ccccc21)c1ccc(S(C)(=O)=O)cc1 ZINC000180889457 821516891 /nfs/dbraw/zinc/51/68/91/821516891.db2.gz ITZURJUECXNIOO-VGSWGCGISA-N 1 0 387.545 4.225 20 0 GIADRO CC[NH+]1CCN([C@@H](C)CNC(=S)Nc2c(C(C)C)cccc2C(C)C)CC1 ZINC000044080189 821518000 /nfs/dbraw/zinc/51/80/00/821518000.db2.gz CSEGLEMVRXPYGX-SFHVURJKSA-N 1 0 390.641 4.246 20 0 GIADRO C[C@@H]([NH2+]CCC(=O)Nc1cc(N)ccc1F)c1ccc(-c2ccncc2)cc1 ZINC000180892448 821519381 /nfs/dbraw/zinc/51/93/81/821519381.db2.gz FJGBLUDMALZMTR-OAHLLOKOSA-N 1 0 378.451 4.149 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1cccc(NC(=O)C(C)C)c1)CC(C)C ZINC000044083674 821519608 /nfs/dbraw/zinc/51/96/08/821519608.db2.gz WIYQURITJSVHPN-LJQANCHMSA-N 1 0 376.545 4.159 20 0 GIADRO CCOC(=O)CC[C@H]1CCC[N@@H+]([C@@H](C)c2nc3sc(C)c(C)c3c(N)n2)C1 ZINC000180892797 821519980 /nfs/dbraw/zinc/51/99/80/821519980.db2.gz WSRVWTUTMIQATC-DZGCQCFKSA-N 1 0 390.553 4.007 20 0 GIADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=S)Nc2ccc(OC(F)F)cc2)C1 ZINC000044101466 821523322 /nfs/dbraw/zinc/52/33/22/821523322.db2.gz YNLNJCDYGCAFRL-HUUCEWRRSA-N 1 0 385.524 4.333 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc(-c2ccncc2)cc1)C(=O)NCc1ccc(F)cc1 ZINC000180900566 821524882 /nfs/dbraw/zinc/52/48/82/821524882.db2.gz MHHNITMPLIOBMY-IAGOWNOFSA-N 1 0 377.463 4.243 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CCc2nc(-c3cccc(Cl)c3)no2)c1 ZINC000180902102 821526148 /nfs/dbraw/zinc/52/61/48/821526148.db2.gz FSMXGMLTSQLHKI-CYBMUJFWSA-N 1 0 384.867 4.242 20 0 GIADRO Clc1cccc(-c2noc(CC[NH2+]C3CCN(c4ccccc4)CC3)n2)c1 ZINC000180902965 821526530 /nfs/dbraw/zinc/52/65/30/821526530.db2.gz LHUXHCPBVMTUPM-UHFFFAOYSA-N 1 0 382.895 4.191 20 0 GIADRO CC(C)Cc1nnc(NC(=O)C[NH2+][C@H](C)c2ccc(-c3ccncc3)cc2)s1 ZINC000180903729 821527167 /nfs/dbraw/zinc/52/71/67/821527167.db2.gz ITFVKDAQWJWHOE-OAHLLOKOSA-N 1 0 395.532 4.088 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1cc(C(C)(C)C)no1)c1ccc(-c2ccncc2)cc1 ZINC000180909000 821530007 /nfs/dbraw/zinc/53/00/07/821530007.db2.gz LCHZOHWHRCJSFH-OAHLLOKOSA-N 1 0 378.476 4.323 20 0 GIADRO Cc1ccc(CNC(=O)C[NH2+][C@H](C)c2ccc(-c3ccncc3)cc2)cc1F ZINC000180909335 821530749 /nfs/dbraw/zinc/53/07/49/821530749.db2.gz LFIWNFFAEBQQEI-QGZVFWFLSA-N 1 0 377.463 4.163 20 0 GIADRO CC[C@@H]([NH2+]Cc1cccc(OCC(=O)OC)c1)c1cccc(Br)c1 ZINC000180911582 821532387 /nfs/dbraw/zinc/53/23/87/821532387.db2.gz CVAKNLWQXGUCTI-GOSISDBHSA-N 1 0 392.293 4.242 20 0 GIADRO COC(=O)COc1cccc(C[NH2+][C@H]2CCSc3ccc(Cl)cc32)c1 ZINC000180911274 821532527 /nfs/dbraw/zinc/53/25/27/821532527.db2.gz NPVOVLFDDIZTFB-KRWDZBQOSA-N 1 0 377.893 4.219 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N1CCC[C@@H](C(F)(F)F)C1)c1ccc(-c2ccncc2)cc1 ZINC000180914318 821534022 /nfs/dbraw/zinc/53/40/22/821534022.db2.gz CEQNUBBOIPSNCW-DNVCBOLYSA-N 1 0 391.437 4.200 20 0 GIADRO COc1ccc(CN2CC[C@@H]([NH2+][C@@H](C)c3ccccc3C(F)(F)F)C2=O)cc1 ZINC000180914139 821534148 /nfs/dbraw/zinc/53/41/48/821534148.db2.gz YRIJQLWXUSYKCW-IFXJQAMLSA-N 1 0 392.421 4.166 20 0 GIADRO COc1ccc(CN2CC[C@@H]([NH2+][C@H](C)c3sc(C(C)C)nc3C)C2=O)cc1 ZINC000180917495 821536858 /nfs/dbraw/zinc/53/68/58/821536858.db2.gz IKMOHNQBICSQAI-RDTXWAMCSA-N 1 0 387.549 4.035 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)Nc2cnn(C(C)(C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000180922761 821539852 /nfs/dbraw/zinc/53/98/52/821539852.db2.gz QJDZGFOJIFWQQK-YLJYHZDGSA-N 1 0 383.540 4.155 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cnn(C(C)(C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000180922802 821539868 /nfs/dbraw/zinc/53/98/68/821539868.db2.gz QJDZGFOJIFWQQK-XLIONFOSSA-N 1 0 383.540 4.155 20 0 GIADRO COc1cc(NC(=O)C[NH2+][C@H](C)c2ccc(-c3ccncc3)cc2)cc(OC)c1 ZINC000180924557 821540339 /nfs/dbraw/zinc/54/03/39/821540339.db2.gz LISXCFPIWRCVAU-MRXNPFEDSA-N 1 0 391.471 4.055 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1ccnn1C1CCCC1)c1ccc(-c2ccncc2)cc1 ZINC000180925236 821541772 /nfs/dbraw/zinc/54/17/72/821541772.db2.gz GQSRCHYAVVANGD-KRWDZBQOSA-N 1 0 389.503 4.350 20 0 GIADRO CC[C@H]([NH2+]C1CCN(c2nccs2)CC1)[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000180937942 821547250 /nfs/dbraw/zinc/54/72/50/821547250.db2.gz HBYOFWQVUPPISR-DLBZAZTESA-N 1 0 399.482 4.233 20 0 GIADRO Cc1c(Cl)cccc1NC(=S)NCc1cccc(OCC[NH+](C)C)c1 ZINC000044222857 821550118 /nfs/dbraw/zinc/55/01/18/821550118.db2.gz GQXFQIBZDMRBSB-UHFFFAOYSA-N 1 0 377.941 4.075 20 0 GIADRO C[C@H]([NH2+][C@H](Cc1ccccc1)c1cccs1)c1ccc(-n2cnnn2)cc1 ZINC000180943983 821550140 /nfs/dbraw/zinc/55/01/40/821550140.db2.gz IDBRFMVQMJXMIZ-OXJNMPFZSA-N 1 0 375.501 4.358 20 0 GIADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)Nc1ccc(F)cc1OC ZINC000044236098 821552957 /nfs/dbraw/zinc/55/29/57/821552957.db2.gz ZKOLSLUYALZFPG-UHFFFAOYSA-N 1 0 379.501 4.272 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)Nc1cccc(CC(F)(F)F)c1 ZINC000180956951 821555476 /nfs/dbraw/zinc/55/54/76/821555476.db2.gz LIJGZEWEAZMSLQ-UHFFFAOYSA-N 1 0 392.425 4.225 20 0 GIADRO Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000180959902 821557362 /nfs/dbraw/zinc/55/73/62/821557362.db2.gz IOTLDDAZTQNNAZ-WIYYLYMNSA-N 1 0 395.551 4.099 20 0 GIADRO Cc1ccc(C(=O)C2CCN(C(=O)Nc3cccc(C[NH+](C)C)c3)CC2)c(C)c1 ZINC000044276683 821558522 /nfs/dbraw/zinc/55/85/22/821558522.db2.gz JAHDYDMARUNRSG-UHFFFAOYSA-N 1 0 393.531 4.492 20 0 GIADRO CCOc1ccccc1NC(=O)C[NH2+][C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000180965150 821560180 /nfs/dbraw/zinc/56/01/80/821560180.db2.gz HSKZDBZFRKTKES-CQSZACIVSA-N 1 0 396.409 4.316 20 0 GIADRO C[C@H]([NH2+]C1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1cc2ccccc2o1 ZINC000180966967 821560822 /nfs/dbraw/zinc/56/08/22/821560822.db2.gz WJHVYSCFNOLOBK-KRWDZBQOSA-N 1 0 398.528 4.078 20 0 GIADRO C[C@H](NC(=O)C[NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1)c1cccs1 ZINC000180968896 821562489 /nfs/dbraw/zinc/56/24/89/821562489.db2.gz YDVWIDMFBCTEBT-STQMWFEESA-N 1 0 386.439 4.217 20 0 GIADRO COc1ccc(C(=O)N2CCC([NH2+][C@H]3CCC(C)(C)C[C@H]3C)CC2)cc1OC ZINC000180969964 821563120 /nfs/dbraw/zinc/56/31/20/821563120.db2.gz JEPDFXPYJTVJID-APWZRJJASA-N 1 0 388.552 4.113 20 0 GIADRO COc1ccc(C(=O)N2CCC([NH2+][C@@H]3CCC(C)(C)C[C@H]3C)CC2)cc1OC ZINC000180970004 821563266 /nfs/dbraw/zinc/56/32/66/821563266.db2.gz JEPDFXPYJTVJID-VQIMIIECSA-N 1 0 388.552 4.113 20 0 GIADRO COc1ccc(C(=O)N2CCC([NH2+][C@H](C)c3ccc(C)c(C)c3)CC2)cc1OC ZINC000180970904 821564441 /nfs/dbraw/zinc/56/44/41/821564441.db2.gz VUEKKJUNDXSWJP-GOSISDBHSA-N 1 0 396.531 4.276 20 0 GIADRO COc1cc(C[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)cc2c1OCCO2 ZINC000180972137 821565033 /nfs/dbraw/zinc/56/50/33/821565033.db2.gz HWLZUPQTWDLUJF-MRXNPFEDSA-N 1 0 375.852 4.123 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCC[C@H](C(F)(F)F)C3)c(C)c2)CC1 ZINC000044313541 821568383 /nfs/dbraw/zinc/56/83/83/821568383.db2.gz DKXYLYDDDGWWOJ-IRXDYDNUSA-N 1 0 397.485 4.444 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccc(Oc2ccccc2)nc1 ZINC000044312566 821568473 /nfs/dbraw/zinc/56/84/73/821568473.db2.gz ACYKNUORXRLOGX-IBGZPJMESA-N 1 0 377.444 4.034 20 0 GIADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)c2cc3cc(Cl)ccc3o2)cc1 ZINC000180979025 821570173 /nfs/dbraw/zinc/57/01/73/821570173.db2.gz XXNUDYKKURRNEO-OLZOCXBDSA-N 1 0 392.908 4.406 20 0 GIADRO CCOc1ccc([C@H]([NH2+]CC2(CO)CCOCC2)c2ccccc2Cl)cc1 ZINC000180984136 821574201 /nfs/dbraw/zinc/57/42/01/821574201.db2.gz MSTOSACOZOUSQZ-NRFANRHFSA-N 1 0 389.923 4.207 20 0 GIADRO O=C(Nc1ccccc1N1CCc2ccccc21)NC1CC[NH+](C2CC2)CC1 ZINC000044348880 821575204 /nfs/dbraw/zinc/57/52/04/821575204.db2.gz NGDBAVQVJONUMG-UHFFFAOYSA-N 1 0 376.504 4.129 20 0 GIADRO OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CNCc1ccc(-c2ccc(F)cc2)o1 ZINC000180987111 821576605 /nfs/dbraw/zinc/57/66/05/821576605.db2.gz AVWLOTBDOIDLEN-QFIPXVFZSA-N 1 0 394.490 4.332 20 0 GIADRO CCn1c2ccccc2nc1[C@H](C)[NH2+][C@@H](C)CC(=O)Nc1ccccc1OC ZINC000180993072 821580285 /nfs/dbraw/zinc/58/02/85/821580285.db2.gz XZEILJXYKVWDTD-HOTGVXAUSA-N 1 0 380.492 4.133 20 0 GIADRO O=C(Nc1cc(F)c(N2CCCCC2)c(F)c1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000180993092 821580441 /nfs/dbraw/zinc/58/04/41/821580441.db2.gz MTDDIJDDWHNFAG-KRWDZBQOSA-N 1 0 392.494 4.047 20 0 GIADRO COc1cc([C@H](C)[NH2+]CCc2nc3cc(F)ccc3n2C)ccc1OC(F)F ZINC000181003574 821586764 /nfs/dbraw/zinc/58/67/64/821586764.db2.gz HKPGJOFPGONRRV-LBPRGKRZSA-N 1 0 393.409 4.216 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[NH2+][C@@H](c2cccc(F)c2)C2CCCC2)c1 ZINC000181006135 821588555 /nfs/dbraw/zinc/58/85/55/821588555.db2.gz VZFVLAOOZXFFQC-JOCHJYFZSA-N 1 0 386.467 4.303 20 0 GIADRO COC(=O)c1ccc(C[NH2+][C@H](c2ccccc2)c2ccc(OC)cc2)cc1OC ZINC000181008141 821589729 /nfs/dbraw/zinc/58/97/29/821589729.db2.gz IAVHGFPAPWHHBM-HSZRJFAPSA-N 1 0 391.467 4.370 20 0 GIADRO Cc1cccc(NC(=O)C[C@H](C)[NH2+]CCc2nc(-c3ccccn3)cs2)c1C ZINC000181007723 821589869 /nfs/dbraw/zinc/58/98/69/821589869.db2.gz QDXRJROFFCAHCK-INIZCTEOSA-N 1 0 394.544 4.371 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CCc2nc(-c3ccccn3)cs2)cc1NC(C)=O ZINC000181009567 821590940 /nfs/dbraw/zinc/59/09/40/821590940.db2.gz XAHBBBPDQKKXBA-AWEZNQCLSA-N 1 0 396.516 4.065 20 0 GIADRO COc1cc(C)c([C@@H](C)[NH2+]CCc2nc(-c3ccccn3)cs2)cc1OC ZINC000181012091 821592262 /nfs/dbraw/zinc/59/22/62/821592262.db2.gz CIQMCPBAHLURTR-OAHLLOKOSA-N 1 0 383.517 4.424 20 0 GIADRO CC(C)[C@@H](CSc1ccccc1)[NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000181028173 821600752 /nfs/dbraw/zinc/60/07/52/821600752.db2.gz QSWHQPFCMDVAST-IFMALSPDSA-N 1 0 382.573 4.442 20 0 GIADRO COc1ccc(C[C@@H](C)C[NH2+][C@H](c2cnn(C)c2)c2cccc(F)c2)cc1OC ZINC000181033889 821604235 /nfs/dbraw/zinc/60/42/35/821604235.db2.gz BAOFCHGMCRUQBS-MWTRTKDXSA-N 1 0 397.494 4.134 20 0 GIADRO Cc1c(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)cnn1C(C)(C)C ZINC000044552881 821607567 /nfs/dbraw/zinc/60/75/67/821607567.db2.gz DSTBCRYUPPCHFW-KRWDZBQOSA-N 1 0 382.552 4.108 20 0 GIADRO Cc1c(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)cnn1C(C)(C)C ZINC000044552882 821607673 /nfs/dbraw/zinc/60/76/73/821607673.db2.gz DSTBCRYUPPCHFW-QGZVFWFLSA-N 1 0 382.552 4.108 20 0 GIADRO O=C(N[C@@H]1CCCOc2c(Cl)cccc21)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000181085286 821625071 /nfs/dbraw/zinc/62/50/71/821625071.db2.gz FODBHCYQGSCKSJ-VQIMIIECSA-N 1 0 391.943 4.214 20 0 GIADRO COc1ccc([C@H](NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C(C)C)cc1 ZINC000181088419 821626517 /nfs/dbraw/zinc/62/65/17/821626517.db2.gz PKIBAEXKQSEHFQ-JOCHJYFZSA-N 1 0 396.535 4.003 20 0 GIADRO CC[C@@H]([NH2+][C@@H](C)CC(=O)Nc1cc(OC)ccc1OC)c1cc(F)ccc1F ZINC000181102638 821633693 /nfs/dbraw/zinc/63/36/93/821633693.db2.gz ULMMPGZRNOMDTM-SCLBCKFNSA-N 1 0 392.446 4.440 20 0 GIADRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC000181108799 821638295 /nfs/dbraw/zinc/63/82/95/821638295.db2.gz LAJRVXCKEAPDBT-GOSISDBHSA-N 1 0 399.445 4.459 20 0 GIADRO C[C@@H]([NH2+]C1CCC(S(C)(=O)=O)CC1)c1ccc(OCc2ccccc2)cc1 ZINC000181114315 821640566 /nfs/dbraw/zinc/64/05/66/821640566.db2.gz XWYBDKJXHXHSQF-FEPNQTLGSA-N 1 0 387.545 4.272 20 0 GIADRO COc1ccc2ccccc2c1-c1cc(CN2CC[C@@H](C[NH+]3CCCC3)C2)on1 ZINC000181118642 821644159 /nfs/dbraw/zinc/64/41/59/821644159.db2.gz CZGPAZVAEFGDKF-SFHVURJKSA-N 1 0 391.515 4.421 20 0 GIADRO CS(=O)(=O)C1CCC([NH2+][C@@H]2CCCc3nc(-c4ccccc4)sc32)CC1 ZINC000181127223 821649879 /nfs/dbraw/zinc/64/98/79/821649879.db2.gz RVEPVSFUTJUFJZ-OFLPRAFFSA-N 1 0 390.574 4.133 20 0 GIADRO CC(C)(C)OC(=O)NC1CCC([NH2+]Cc2ccc(OC(C)(C)C)nc2)CC1 ZINC000181128332 821650231 /nfs/dbraw/zinc/65/02/31/821650231.db2.gz CVFIMWGRZFHWNK-UHFFFAOYSA-N 1 0 377.529 4.184 20 0 GIADRO C[C@@H]([NH2+]CCCOC1CCOCC1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000181129306 821651110 /nfs/dbraw/zinc/65/11/10/821651110.db2.gz GWCBWJPXIAQRPW-YLJYHZDGSA-N 1 0 395.515 4.010 20 0 GIADRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CCCOC3CCOCC3)s2)cc1 ZINC000181133059 821653530 /nfs/dbraw/zinc/65/35/30/821653530.db2.gz PZTILGIARGISLH-HNNXBMFYSA-N 1 0 390.549 4.363 20 0 GIADRO COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]CCC(=O)Nc2cc(C)on2)cc1 ZINC000181134692 821654594 /nfs/dbraw/zinc/65/45/94/821654594.db2.gz UDGIIXFAKQOFFD-FQEVSTJZSA-N 1 0 397.450 4.033 20 0 GIADRO Cc1ccc2[nH]c([C@H]3CCC[N@H+](CCC(=O)Nc4ccccc4C)C3)nc2c1 ZINC000181142118 821660336 /nfs/dbraw/zinc/66/03/36/821660336.db2.gz MPNMXWJYPGGTFE-SFHVURJKSA-N 1 0 376.504 4.388 20 0 GIADRO CC[C@@H](C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(OC)cc1 ZINC000181147826 821663653 /nfs/dbraw/zinc/66/36/53/821663653.db2.gz QTPGUCYWABRKAB-NFBKMPQASA-N 1 0 380.532 4.169 20 0 GIADRO CCOc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)cc1 ZINC000044803006 821665234 /nfs/dbraw/zinc/66/52/34/821665234.db2.gz OBIXOAFIXUGYEJ-UONOGXRCSA-N 1 0 378.419 4.365 20 0 GIADRO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CCCN1C(=O)COc2ccccc21 ZINC000181153500 821666356 /nfs/dbraw/zinc/66/63/56/821666356.db2.gz PTLDPNHHPVBYEK-CQSZACIVSA-N 1 0 387.549 4.215 20 0 GIADRO O=S1(=O)CC[C@H](C[NH2+]Cc2cccc(Oc3cccc(C(F)(F)F)c3)c2)C1 ZINC000044863162 821673547 /nfs/dbraw/zinc/67/35/47/821673547.db2.gz YCRISBIFDCSASQ-OAHLLOKOSA-N 1 0 399.434 4.022 20 0 GIADRO COc1ccc(S[C@@H](C)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000044872658 821674858 /nfs/dbraw/zinc/67/48/58/821674858.db2.gz KPKHTWMANWDJLL-KRWDZBQOSA-N 1 0 384.545 4.088 20 0 GIADRO Cc1ccc([C@H]([NH2+]C2CCSCC2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000181167219 821675191 /nfs/dbraw/zinc/67/51/91/821675191.db2.gz QVHIEYJPCVDQBH-OAQYLSRUSA-N 1 0 389.586 4.282 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)COc3ccc(Cl)cc3)cc2)C1 ZINC000044877149 821675599 /nfs/dbraw/zinc/67/55/99/821675599.db2.gz GPHNJVIXPOGVAT-KRWDZBQOSA-N 1 0 386.923 4.267 20 0 GIADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccc(-n2cc[nH]c2=S)cc1 ZINC000044875176 821675610 /nfs/dbraw/zinc/67/56/10/821675610.db2.gz BRJAUUJSNAZWRY-KRWDZBQOSA-N 1 0 398.557 4.163 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)COc1cccc(C#N)c1)C1CCCCC1 ZINC000044957533 821683378 /nfs/dbraw/zinc/68/33/78/821683378.db2.gz VOVWIRUMNCTEOY-UHFFFAOYSA-N 1 0 377.488 4.340 20 0 GIADRO COc1ccc2ccccc2c1-c1cc(C[N@H+](C)C2CCC(CO)CC2)on1 ZINC000181184509 821683369 /nfs/dbraw/zinc/68/33/69/821683369.db2.gz TUFREAQHYOWEDP-UHFFFAOYSA-N 1 0 380.488 4.486 20 0 GIADRO O=C(C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1)Nc1ccc(F)c(Cl)c1 ZINC000181185416 821684010 /nfs/dbraw/zinc/68/40/10/821684010.db2.gz SGFFFPZTSYOHHV-LIRRHRJNSA-N 1 0 376.859 4.175 20 0 GIADRO CC(C)N(Cc1ccccc1)C(=O)C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000181186482 821684113 /nfs/dbraw/zinc/68/41/13/821684113.db2.gz JMPMQHZPZMZVHZ-JTHBVZDNSA-N 1 0 380.532 4.181 20 0 GIADRO CC[C@H]([NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1)c1cc(C)ccc1OC ZINC000181196967 821691245 /nfs/dbraw/zinc/69/12/45/821691245.db2.gz LZBLYCXCZGWNKU-QFIPXVFZSA-N 1 0 395.547 4.147 20 0 GIADRO C[NH+](C)CCCOC1CCN(C(=O)CCCc2ccc3ccccc3c2)CC1 ZINC000181200126 821692361 /nfs/dbraw/zinc/69/23/61/821692361.db2.gz KHQKVOWXULLYBZ-UHFFFAOYSA-N 1 0 382.548 4.122 20 0 GIADRO Cc1cc2ncc([C@@H](C)[NH2+][C@@H](C)c3ccc(NC(=O)NC4CC4)cc3)c(C)n2n1 ZINC000181203812 821695462 /nfs/dbraw/zinc/69/54/62/821695462.db2.gz VHLMHOXLAMQAND-LSDHHAIUSA-N 1 0 392.507 4.042 20 0 GIADRO Cc1ccc([C@H](C)NC(=O)C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)cc1C ZINC000181218719 821703803 /nfs/dbraw/zinc/70/38/03/821703803.db2.gz ZTDBDJFBOJPDLG-SXWKCWPCSA-N 1 0 380.532 4.238 20 0 GIADRO O=C(C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1)Nc1ccccc1C(F)(F)F ZINC000181220969 821704451 /nfs/dbraw/zinc/70/44/51/821704451.db2.gz VANOBVFNDKEPCU-DNVCBOLYSA-N 1 0 392.421 4.401 20 0 GIADRO CS(=O)(=O)CC1(C[NH2+][C@@H](Cc2ccc(F)cc2)c2ccccc2Cl)CC1 ZINC000181227618 821706450 /nfs/dbraw/zinc/70/64/50/821706450.db2.gz NHRVKXRPZUNMTL-IBGZPJMESA-N 1 0 395.927 4.177 20 0 GIADRO O=C(C[NH2+][C@H](c1ccccc1)[C@H]1CCCc2ccccc21)NCc1cccnc1 ZINC000181240503 821714425 /nfs/dbraw/zinc/71/44/25/821714425.db2.gz ISYFGHQLVJPVMW-UKILVPOCSA-N 1 0 385.511 4.149 20 0 GIADRO C[S@@](=O)c1ccc(C[NH2+][C@@H]2CCCOc3ccc(Br)cc32)cc1 ZINC000181245450 821716513 /nfs/dbraw/zinc/71/65/13/821716513.db2.gz PGELWOCWGPACNG-UZUQRXQVSA-N 1 0 394.334 4.190 20 0 GIADRO C[S@](=O)c1ccc(C[NH2+][C@H]2CCCOc3c(Br)cccc32)cc1 ZINC000181245195 821716551 /nfs/dbraw/zinc/71/65/51/821716551.db2.gz KYRWSEYFHBNTRA-SBUREZEXSA-N 1 0 394.334 4.190 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1ccc([S@](C)=O)cc1 ZINC000181247344 821717028 /nfs/dbraw/zinc/71/70/28/821717028.db2.gz COZUPPKGFRDEGF-SUXZAAGHSA-N 1 0 380.916 4.146 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+][C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)s1 ZINC000181251080 821719145 /nfs/dbraw/zinc/71/91/45/821719145.db2.gz RQXRUSHVCGPGDO-GXTWGEPZSA-N 1 0 397.947 4.362 20 0 GIADRO CCOc1ccccc1[C@H](CC(C)C)[NH2+]CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000181263349 821723430 /nfs/dbraw/zinc/72/34/30/821723430.db2.gz UVRSDGRGCOHQQZ-NRFANRHFSA-N 1 0 397.519 4.359 20 0 GIADRO CCOc1ccccc1[C@@H](CC(C)C)[NH2+]CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000181263329 821723453 /nfs/dbraw/zinc/72/34/53/821723453.db2.gz UVRSDGRGCOHQQZ-OAQYLSRUSA-N 1 0 397.519 4.359 20 0 GIADRO CC(C)c1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000181272299 821727087 /nfs/dbraw/zinc/72/70/87/821727087.db2.gz OFDAQJUNGSDHTP-INIZCTEOSA-N 1 0 381.476 4.056 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CCc2ccccc2OC(F)(F)F)cc1NC(C)=O ZINC000181281105 821732485 /nfs/dbraw/zinc/73/24/85/821732485.db2.gz JSHIZVFFAGEAIV-ZDUSSCGKSA-N 1 0 396.409 4.446 20 0 GIADRO C[C@H]([NH2+]CCc1ccccc1OC(F)(F)F)c1cccc(N2CCOC2=O)c1 ZINC000181281650 821733233 /nfs/dbraw/zinc/73/32/33/821733233.db2.gz MYZHSFKMRBOTOA-AWEZNQCLSA-N 1 0 394.393 4.435 20 0 GIADRO COc1ccccc1N1CC[C@H]([NH2+][C@H](C)c2cccc(-c3ccncc3)c2)C1=O ZINC000181288661 821737206 /nfs/dbraw/zinc/73/72/06/821737206.db2.gz SUHVRIRCOOSQFD-UTKZUKDTSA-N 1 0 387.483 4.213 20 0 GIADRO C[C@@H]([NH2+]CC(=O)NCc1ccc(Cl)s1)c1ccc(-c2cccnc2)cc1 ZINC000181291679 821738565 /nfs/dbraw/zinc/73/85/65/821738565.db2.gz RDMGBXNLLPXSFC-CQSZACIVSA-N 1 0 385.920 4.431 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000181293772 821739969 /nfs/dbraw/zinc/73/99/69/821739969.db2.gz HCURCMDIRIUPDI-JKSUJKDBSA-N 1 0 389.455 4.155 20 0 GIADRO CCn1c(C[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)nc2c1cccc2F ZINC000181296425 821741418 /nfs/dbraw/zinc/74/14/18/821741418.db2.gz DUVZRVMXJZPGJP-CQSZACIVSA-N 1 0 382.439 4.003 20 0 GIADRO COCc1nc2n(n1)C[C@@H]([NH2+][C@H](CCCc1ccccc1)c1ccccc1)CC2 ZINC000181296933 821741500 /nfs/dbraw/zinc/74/15/00/821741500.db2.gz BROHOUBFDRDSEJ-FCHUYYIVSA-N 1 0 390.531 4.093 20 0 GIADRO CCc1cccc(CC)c1NC(=O)C[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000181301869 821744096 /nfs/dbraw/zinc/74/40/96/821744096.db2.gz IOJDCYSAUFHQHH-MRXNPFEDSA-N 1 0 395.503 4.057 20 0 GIADRO C[C@@H]([NH2+]CCc1cccc(OC(F)(F)F)c1)c1cccc(N2CCOC2=O)c1 ZINC000181304835 821745116 /nfs/dbraw/zinc/74/51/16/821745116.db2.gz JMJWXEYJXBWTQP-CQSZACIVSA-N 1 0 394.393 4.435 20 0 GIADRO COCCOc1ccc([C@H](C)[NH2+][C@H](C)c2c(C)nn(CC(F)(F)F)c2C)cc1 ZINC000181305609 821745870 /nfs/dbraw/zinc/74/58/70/821745870.db2.gz HUIYLPQSRISPKH-UONOGXRCSA-N 1 0 399.457 4.499 20 0 GIADRO Cc1cc(NC(=O)C[NH2+][C@H](C)c2ccc(-c3cccnc3)cc2)n(C(C)(C)C)n1 ZINC000181315522 821754032 /nfs/dbraw/zinc/75/40/32/821754032.db2.gz XTTNTTJDZLKJIA-QGZVFWFLSA-N 1 0 391.519 4.298 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000181316393 821754124 /nfs/dbraw/zinc/75/41/24/821754124.db2.gz NVAOGMUUPDTQTD-STQMWFEESA-N 1 0 392.429 4.055 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCc2sccc2C1)c1ccc(-c2cccnc2)cc1 ZINC000181322074 821757969 /nfs/dbraw/zinc/75/79/69/821757969.db2.gz FATIMOCOTWIUFN-SJORKVTESA-N 1 0 391.540 4.434 20 0 GIADRO COc1cccc2[nH]cc(CC[NH2+][C@@H](C)c3ccc(OC)c(NC(C)=O)c3)c21 ZINC000181335606 821766988 /nfs/dbraw/zinc/76/69/88/821766988.db2.gz PDTADJZIFRDKBM-AWEZNQCLSA-N 1 0 381.476 4.037 20 0 GIADRO CCNC(=O)N1CC[C@H]([NH2+][C@H](C)c2sc(-c3ccc(Cl)cc3)nc2C)C1 ZINC000181335513 821767035 /nfs/dbraw/zinc/76/70/35/821767035.db2.gz JCUKFGFATJVYQN-WBMJQRKESA-N 1 0 392.956 4.226 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(OC(C)(C)C)nc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000181348239 821777547 /nfs/dbraw/zinc/77/75/47/821777547.db2.gz MKXPPOKUUWDQGG-OAHLLOKOSA-N 1 0 382.508 4.394 20 0 GIADRO O=C(C[NH2+][C@H](CC1CCC1)c1ccccc1)Nc1cccc(C(=O)NC2CC2)c1 ZINC000181350975 821779781 /nfs/dbraw/zinc/77/97/81/821779781.db2.gz OJZFHOKWDSAVRV-JOCHJYFZSA-N 1 0 391.515 4.038 20 0 GIADRO COc1cc(OC)c(NC(=O)C[NH2+][C@H](C)c2ccc(C)c(F)c2)cc1Cl ZINC000181354816 821783064 /nfs/dbraw/zinc/78/30/64/821783064.db2.gz ZYTDWUFRCWNJTQ-GFCCVEGCSA-N 1 0 380.847 4.094 20 0 GIADRO O=c1nc(C[NH2+][C@@H](CC2CCC2)c2ccccc2)[nH]c2sc3c(c21)CCC3 ZINC000181356319 821784047 /nfs/dbraw/zinc/78/40/47/821784047.db2.gz PRGUITWTIJACPY-KRWDZBQOSA-N 1 0 379.529 4.494 20 0 GIADRO CCn1c2ccc(F)cc2nc1C[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000181358358 821785311 /nfs/dbraw/zinc/78/53/11/821785311.db2.gz ONLXYSNHYVWWKI-HNNXBMFYSA-N 1 0 380.467 4.173 20 0 GIADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]Cc1nc(C2CC2)cs1 ZINC000181366708 821791075 /nfs/dbraw/zinc/79/10/75/821791075.db2.gz UXYVVGPHYNLNIF-LLVKDONJSA-N 1 0 394.338 4.290 20 0 GIADRO Cc1ccc(C[C@@H](C)C(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000181379653 821795960 /nfs/dbraw/zinc/79/59/60/821795960.db2.gz XGJIUUWKJVFWLB-HXUWFJFHSA-N 1 0 379.548 4.334 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+]CC(=O)NCc2ccc(Cl)s2)cc1OCC ZINC000181388441 821800391 /nfs/dbraw/zinc/80/03/91/821800391.db2.gz YSZLBAIYNNMYJL-CYBMUJFWSA-N 1 0 396.940 4.166 20 0 GIADRO C[C@@H]([NH2+][C@H](CO)c1cccc(Br)c1)c1ccc(OC(F)F)cc1 ZINC000181393033 821803373 /nfs/dbraw/zinc/80/33/73/821803373.db2.gz NINISGYDSTZMMT-BDJLRTHQSA-N 1 0 386.236 4.435 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)s1 ZINC000181393333 821803793 /nfs/dbraw/zinc/80/37/93/821803793.db2.gz AZWXRTNDACGCMI-GJZGRUSLSA-N 1 0 387.549 4.179 20 0 GIADRO C[C@H]([NH2+][C@@H](CO)c1cccc(Br)c1)c1ccc(-n2ccnc2)cc1 ZINC000181394825 821805212 /nfs/dbraw/zinc/80/52/12/821805212.db2.gz IMDOYBBAYFFRSZ-LIRRHRJNSA-N 1 0 386.293 4.019 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)s1 ZINC000181398807 821806452 /nfs/dbraw/zinc/80/64/52/821806452.db2.gz NLOJZYFOUCCBLY-JLTOFOAXSA-N 1 0 388.533 4.214 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+]CCOc2cccc(Br)c2)s1 ZINC000181398439 821806500 /nfs/dbraw/zinc/80/65/00/821806500.db2.gz FPTMDXOPEAPNHQ-GFCCVEGCSA-N 1 0 399.354 4.133 20 0 GIADRO COc1ccc(-c2cnc(CN[C@@H](C)c3cccc(N4CCCC4=O)c3)o2)cc1 ZINC000181402260 821807938 /nfs/dbraw/zinc/80/79/38/821807938.db2.gz QSEOPFZMGFICDG-INIZCTEOSA-N 1 0 391.471 4.328 20 0 GIADRO Cc1ccc(CCN(Cc2nnc(C3CC3)n2C2CC2)C[C@@H]2CCCO2)cc1 ZINC000181402148 821808233 /nfs/dbraw/zinc/80/82/33/821808233.db2.gz SNUJEPNCNJDLRR-NRFANRHFSA-N 1 0 380.536 4.023 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+]Cc2ccc(Br)c(F)c2)s1 ZINC000181404660 821808549 /nfs/dbraw/zinc/80/85/49/821808549.db2.gz KYPXOWBPYQWPEV-SNVBAGLBSA-N 1 0 387.318 4.393 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+]C[C@@H]2CCCN(Cc3cccs3)C2)s1 ZINC000181405317 821809112 /nfs/dbraw/zinc/80/91/12/821809112.db2.gz WZHAQZKWQXTDBU-WBVHZDCISA-N 1 0 393.622 4.265 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)nc1 ZINC000181408005 821809657 /nfs/dbraw/zinc/80/96/57/821809657.db2.gz RZTMFQYOVMHROI-OCCSQVGLSA-N 1 0 388.817 4.135 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+]CCc2coc(-c3ccc(C)cc3)n2)s1 ZINC000181408494 821810205 /nfs/dbraw/zinc/81/02/05/821810205.db2.gz LPHPFIUEULRSNB-HNNXBMFYSA-N 1 0 385.533 4.497 20 0 GIADRO C[C@H](NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cc(Cl)sc1Cl ZINC000181412431 821811744 /nfs/dbraw/zinc/81/17/44/821811744.db2.gz YZHHLNNXSSSYOQ-GLQYFDAESA-N 1 0 377.381 4.473 20 0 GIADRO CCC[C@H]([NH2+]C1CCN(C(=O)CCOC)CC1)c1ccc(Cl)cc1Cl ZINC000181419043 821816309 /nfs/dbraw/zinc/81/63/09/821816309.db2.gz HWLVJHRNHYODEJ-SFHVURJKSA-N 1 0 387.351 4.452 20 0 GIADRO COc1cccc2cc([C@H](C)[NH2+][C@@H](CN3CCOCC3)c3ccccc3)oc21 ZINC000181421490 821817929 /nfs/dbraw/zinc/81/79/29/821817929.db2.gz IROGVKWNRQIZFP-PXNSSMCTSA-N 1 0 380.488 4.166 20 0 GIADRO COCCC[C@H]([NH2+][C@H](C)Cc1cc(C)n[nH]1)c1ccc(Br)cc1 ZINC000181422642 821818706 /nfs/dbraw/zinc/81/87/06/821818706.db2.gz BUSVJZQZDVRBTN-ACJLOTCBSA-N 1 0 380.330 4.169 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)s1 ZINC000181423544 821819516 /nfs/dbraw/zinc/81/95/16/821819516.db2.gz QDNUJLPWBHRTCW-IUDNXUCKSA-N 1 0 397.585 4.127 20 0 GIADRO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)c(Cl)c1 ZINC000181426921 821821225 /nfs/dbraw/zinc/82/12/25/821821225.db2.gz ZCFAGMHRSKGXHB-JKSUJKDBSA-N 1 0 399.922 4.453 20 0 GIADRO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)c(Cl)c1 ZINC000181426983 821821309 /nfs/dbraw/zinc/82/13/09/821821309.db2.gz ZCFAGMHRSKGXHB-CVEARBPZSA-N 1 0 399.922 4.453 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)s1 ZINC000181428000 821821892 /nfs/dbraw/zinc/82/18/92/821821892.db2.gz WOISRRMUDPWESK-AWEZNQCLSA-N 1 0 390.549 4.447 20 0 GIADRO Cc1ccc(-c2nc(CC(=O)N[C@@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)cs2)o1 ZINC000181431958 821823392 /nfs/dbraw/zinc/82/33/92/821823392.db2.gz KWSDICZBSPQIDC-HOTGVXAUSA-N 1 0 387.549 4.023 20 0 GIADRO Cn1c(CN2CCC(c3nc4cc(Cl)ccc4o3)CC2)nnc1C1CCC1 ZINC000181442787 821828560 /nfs/dbraw/zinc/82/85/60/821828560.db2.gz UPTOPLUYLDEKSG-UHFFFAOYSA-N 1 0 385.899 4.257 20 0 GIADRO Brc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000181448768 821830994 /nfs/dbraw/zinc/83/09/94/821830994.db2.gz RSVPRZNRVLBUKW-UWWQBHOKSA-N 1 0 398.366 4.307 20 0 GIADRO C[C@@H](NC(=O)CSCc1ccc(Cl)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181449980 821831539 /nfs/dbraw/zinc/83/15/39/821831539.db2.gz HXDGCQQFXRPMRP-WBVHZDCISA-N 1 0 380.985 4.342 20 0 GIADRO C[C@H](NC(=O)CCCOc1ccccc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181453730 821832312 /nfs/dbraw/zinc/83/23/12/821832312.db2.gz YSPMLYSHNNVNKM-DLBZAZTESA-N 1 0 378.944 4.268 20 0 GIADRO C[C@H](NC(=O)Cc1csc(-c2cccs2)n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181454212 821833178 /nfs/dbraw/zinc/83/31/78/821833178.db2.gz RGQACYWPAABJLI-LSDHHAIUSA-N 1 0 389.590 4.183 20 0 GIADRO CN(C)C(=O)c1ccc(NC(=O)C[NH2+]C2(c3cccc(Cl)c3)CCCC2)cc1 ZINC000181456561 821834154 /nfs/dbraw/zinc/83/41/54/821834154.db2.gz CAIWZYGJXYYVNO-UHFFFAOYSA-N 1 0 399.922 4.039 20 0 GIADRO C[C@@H](NC(=O)c1ccnc(OCc2ccccc2)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181460596 821836675 /nfs/dbraw/zinc/83/66/75/821836675.db2.gz BZDJSCOXMFJNBN-WIYYLYMNSA-N 1 0 393.531 4.043 20 0 GIADRO CCOc1c(Cl)cc(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1OC ZINC000181465289 821838697 /nfs/dbraw/zinc/83/86/97/821838697.db2.gz YSILJYOVRCGPFT-HUUCEWRRSA-N 1 0 394.943 4.130 20 0 GIADRO C[C@@H](NC(=O)CCc1cc(Br)cs1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181471080 821841368 /nfs/dbraw/zinc/84/13/68/821841368.db2.gz MHRQDLBTZUNZCC-ZIAGYGMSSA-N 1 0 399.398 4.212 20 0 GIADRO CCOc1ccccc1NC(=O)[C@H](c1ccccc1)[N@H+](C)CCc1ccncc1 ZINC000181474600 821842422 /nfs/dbraw/zinc/84/24/22/821842422.db2.gz XHPAYBXOAGMETD-QHCPKHFHSA-N 1 0 389.499 4.335 20 0 GIADRO Cc1nc(CCC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)oc1-c1ccccc1 ZINC000181487537 821848422 /nfs/dbraw/zinc/84/84/22/821848422.db2.gz GSLPZUODMBFCKG-PXNSSMCTSA-N 1 0 395.547 4.352 20 0 GIADRO Cc1ccccc1[C@H](OC[C@@H](O)C[N@H+](C)CCc1ccncc1)c1ccccc1 ZINC000181494062 821852133 /nfs/dbraw/zinc/85/21/33/821852133.db2.gz MHIKOUMDCTXZRH-UKILVPOCSA-N 1 0 390.527 4.031 20 0 GIADRO CC(C)[C@@H]([NH2+]Cc1cc(=O)n2ccsc2n1)c1ccc(C(F)(F)F)cc1 ZINC000181502486 821856476 /nfs/dbraw/zinc/85/64/76/821856476.db2.gz UZPAGOZLTARYNT-MRXNPFEDSA-N 1 0 381.423 4.262 20 0 GIADRO Cc1nc2ccccc2c(C)c1CC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181503601 821856561 /nfs/dbraw/zinc/85/65/61/821856561.db2.gz TWTMLNCGDLUFJF-HKUYNNGSSA-N 1 0 379.548 4.163 20 0 GIADRO CCOc1cccc2cc([C@H](C)[NH2+]Cc3ccc(N4CCO[C@H](C)C4)nc3)oc21 ZINC000181510367 821860292 /nfs/dbraw/zinc/86/02/92/821860292.db2.gz IPCMVVCCUFKTJG-SJORKVTESA-N 1 0 395.503 4.302 20 0 GIADRO O=C(CC[NH2+]Cc1cccc2cnccc21)Nc1ccc(Br)cc1 ZINC000181513513 821861866 /nfs/dbraw/zinc/86/18/66/821861866.db2.gz AQNNMDCVZLZEGZ-UHFFFAOYSA-N 1 0 384.277 4.116 20 0 GIADRO CC(C)(C)OC(=O)NC[C@@H]([NH2+]Cc1cc2ccccc2[nH]c1=O)C1CCCCC1 ZINC000181516424 821863025 /nfs/dbraw/zinc/86/30/25/821863025.db2.gz NOGZVUGPYZJCDI-HXUWFJFHSA-N 1 0 399.535 4.091 20 0 GIADRO COc1cc(CNc2cc(C[NH+](C)C)ccn2)ccc1OCc1cccs1 ZINC000181526547 821867370 /nfs/dbraw/zinc/86/73/70/821867370.db2.gz WFBZCHYOBCYGLN-UHFFFAOYSA-N 1 0 383.517 4.404 20 0 GIADRO C[C@@H](NC(=O)[C@H](C)CSc1ccc(F)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181531524 821869023 /nfs/dbraw/zinc/86/90/23/821869023.db2.gz KXPVLODCWDZPDX-BRWVUGGUSA-N 1 0 378.557 4.323 20 0 GIADRO C[C@H](NC(=O)CSCc1cccc(Cl)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181533245 821870557 /nfs/dbraw/zinc/87/05/57/821870557.db2.gz BBOIOMMTBUHDES-DOTOQJQBSA-N 1 0 380.985 4.342 20 0 GIADRO CCOc1ccc([C@H](C)NC(=O)CCC[NH2+]Cc2cccc3cnccc32)cc1 ZINC000181537706 821872355 /nfs/dbraw/zinc/87/23/55/821872355.db2.gz JQMWKRBJHVDOBN-SFHVURJKSA-N 1 0 391.515 4.381 20 0 GIADRO Cc1cc2cc(C(=O)N(C)[C@H]3CC[N@H+](C)[C@H](C)C3)oc2c(Br)c1 ZINC000181538295 821872437 /nfs/dbraw/zinc/87/24/37/821872437.db2.gz WLNTVIXIURENIP-OCCSQVGLSA-N 1 0 379.298 4.058 20 0 GIADRO OC[C@H](C[NH2+]Cc1cccc2cnccc21)Cc1ccc(OC(F)(F)F)cc1 ZINC000181538566 821872865 /nfs/dbraw/zinc/87/28/65/821872865.db2.gz MWOXBFSJZIXFKW-INIZCTEOSA-N 1 0 390.405 4.074 20 0 GIADRO C[C@H]([NH2+]C[C@@H](c1ccccc1)C(C)(C)CO)c1ncc(Br)s1 ZINC000181555716 821879767 /nfs/dbraw/zinc/87/97/67/821879767.db2.gz ULSXHEMGIZKAMH-JSGCOSHPSA-N 1 0 383.355 4.359 20 0 GIADRO C[C@H]([NH2+]C[C@@H](c1ccccc1)C(C)(C)CO)c1cccc(N2CCOC2=O)c1 ZINC000181556910 821879955 /nfs/dbraw/zinc/87/99/55/821879955.db2.gz AJQHKNXSEHAHPN-UWJYYQICSA-N 1 0 382.504 4.096 20 0 GIADRO COc1cc([C@H](C)[NH2+]C[C@H](c2ccccc2)C(C)(C)CO)cc(OC)c1OC ZINC000181556427 821880242 /nfs/dbraw/zinc/88/02/42/821880242.db2.gz YQHFJPUCSYCFIH-QFBILLFUSA-N 1 0 387.520 4.165 20 0 GIADRO Cc1ccc(S(=O)(=O)c2ccc(C[NH2+][C@@H](C)c3cccc(O)c3)cc2)cc1 ZINC000181558992 821880762 /nfs/dbraw/zinc/88/07/62/821880762.db2.gz AWNVMNUPGOONAY-KRWDZBQOSA-N 1 0 381.497 4.384 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CCc1nnc(-c2ccccc2)o1 ZINC000181562954 821881885 /nfs/dbraw/zinc/88/18/85/821881885.db2.gz KETXTAGSPPYDPQ-AWEZNQCLSA-N 1 0 391.500 4.457 20 0 GIADRO OCC1(C[NH2+][C@H](Cc2ccc(F)cc2)c2ccccc2Cl)CCOCC1 ZINC000181567676 821883670 /nfs/dbraw/zinc/88/36/70/821883670.db2.gz RSEWEZXPYPSZPC-HXUWFJFHSA-N 1 0 377.887 4.142 20 0 GIADRO C[C@H](NC(=O)C[NH2+][C@@H](C)c1ccc(OCC2CC2)c(F)c1)c1cccs1 ZINC000181575230 821885512 /nfs/dbraw/zinc/88/55/12/821885512.db2.gz IXJRSYXCDRQWDP-KBPBESRZSA-N 1 0 376.497 4.204 20 0 GIADRO COc1ccc2cc(CN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c3cccc(O)c3)ccc2c1 ZINC000181579436 821887306 /nfs/dbraw/zinc/88/73/06/821887306.db2.gz PUEPBMQSGMCBMK-IRXDYDNUSA-N 1 0 392.499 4.252 20 0 GIADRO C[C@@H]([NH2+]C1CCN([C@H](C)c2ccncc2)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000181586744 821891087 /nfs/dbraw/zinc/89/10/87/821891087.db2.gz OALHJWRVJPUHJS-RTBURBONSA-N 1 0 392.547 4.085 20 0 GIADRO CC(C)S(=O)(=O)CCC[NH2+][C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000181589882 821892970 /nfs/dbraw/zinc/89/29/70/821892970.db2.gz JQFYTQJAZSYVRO-FQEVSTJZSA-N 1 0 381.488 4.052 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+]C1CCN([C@@H](C)c3ccncc3)CC1)CCCO2 ZINC000181593095 821894529 /nfs/dbraw/zinc/89/45/29/821894529.db2.gz ZNFQNWGTTTYQGT-HTAPYJJXSA-N 1 0 381.520 4.119 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(COCC(F)(F)F)c1)c1ccc(-n2cncn2)cc1 ZINC000181595553 821895548 /nfs/dbraw/zinc/89/55/48/821895548.db2.gz ADXCHSXFRYLNHK-OAHLLOKOSA-N 1 0 390.409 4.197 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(COCC(F)(F)F)c1)c1ccc([S@](C)=O)cc1 ZINC000181596558 821896112 /nfs/dbraw/zinc/89/61/12/821896112.db2.gz WFUUOGVDHUTOKR-PTFIGZPYSA-N 1 0 385.451 4.354 20 0 GIADRO CCOCc1ccc(CNC(=O)C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2)cc1 ZINC000181607235 821900447 /nfs/dbraw/zinc/90/04/47/821900447.db2.gz QOIHMFCQOAFELK-HNNXBMFYSA-N 1 0 394.437 4.209 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N1CCC[C@@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1 ZINC000181608599 821901110 /nfs/dbraw/zinc/90/11/10/821901110.db2.gz JVROPYMNUQSMGY-BXUZGUMPSA-N 1 0 382.348 4.157 20 0 GIADRO COc1ccc([C@H](C)[NH2+]Cc2ccc(COC3CCOCC3)cc2)c(OC)c1 ZINC000181609439 821901696 /nfs/dbraw/zinc/90/16/96/821901696.db2.gz ZHLZRWOKEFZVDN-KRWDZBQOSA-N 1 0 385.504 4.250 20 0 GIADRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)Nc1ccc(COCc2ccccc2)cc1 ZINC000181610250 821902307 /nfs/dbraw/zinc/90/23/07/821902307.db2.gz QOSVFEMXNFHFLY-JOCHJYFZSA-N 1 0 381.520 4.207 20 0 GIADRO COCc1cc([C@@H](C)[NH2+]Cc2ccc(COC3CCOCC3)cc2)ccc1OC ZINC000181612327 821903300 /nfs/dbraw/zinc/90/33/00/821903300.db2.gz RVRXNPTZYJMUNL-GOSISDBHSA-N 1 0 399.531 4.388 20 0 GIADRO CC(C)(C)OC(=O)N1CC(c2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)C1 ZINC000181613160 821903862 /nfs/dbraw/zinc/90/38/62/821903862.db2.gz ZMSVARVEZXQTLM-UHFFFAOYSA-N 1 0 398.507 4.057 20 0 GIADRO C[C@H]([NH2+]CC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1)c1cccnc1 ZINC000181638227 821916961 /nfs/dbraw/zinc/91/69/61/821916961.db2.gz ZUQHNCZRECOWCL-PGRDOPGGSA-N 1 0 398.510 4.162 20 0 GIADRO C[C@@H]([NH2+]CC(=O)NC[C@@H]1CCN(c2ccccc2)C1)c1cccc2ccccc21 ZINC000181648995 821922328 /nfs/dbraw/zinc/92/23/28/821922328.db2.gz MLZZXBXWSHSPLD-UXHICEINSA-N 1 0 387.527 4.133 20 0 GIADRO C[C@@H]([NH2+]C[C@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1)c1cccnc1 ZINC000181650979 821923014 /nfs/dbraw/zinc/92/30/14/821923014.db2.gz JHPVLYNNOVZSGR-ZHRRBRCNSA-N 1 0 398.453 4.178 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1)c1cccnc1 ZINC000181650957 821923083 /nfs/dbraw/zinc/92/30/83/821923083.db2.gz JHPVLYNNOVZSGR-AOMKIAJQSA-N 1 0 398.453 4.178 20 0 GIADRO CCc1ccccc1NC(=O)C[NH2+]C(C)(C)COc1ncccc1C(F)(F)F ZINC000181652196 821923543 /nfs/dbraw/zinc/92/35/43/821923543.db2.gz KRUPICAMQBAJKD-UHFFFAOYSA-N 1 0 395.425 4.049 20 0 GIADRO CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000181659163 821927387 /nfs/dbraw/zinc/92/73/87/821927387.db2.gz QGWJNSZNZCPSOB-KBXCAEBGSA-N 1 0 379.522 4.205 20 0 GIADRO COC[C@@H]([NH2+]CC(=O)N1CCCCC[C@@H]1c1ccc(OC)cc1)c1ccccc1 ZINC000181658511 821927467 /nfs/dbraw/zinc/92/74/67/821927467.db2.gz OUVCFXTWTCVFNA-DHIUTWEWSA-N 1 0 396.531 4.116 20 0 GIADRO CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000181659972 821928552 /nfs/dbraw/zinc/92/85/52/821928552.db2.gz NFWRIPXELKGYPX-YLJYHZDGSA-N 1 0 397.544 4.084 20 0 GIADRO CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000181663106 821929809 /nfs/dbraw/zinc/92/98/09/821929809.db2.gz PIGMCQBFQOERGG-XLIONFOSSA-N 1 0 385.529 4.275 20 0 GIADRO CC[C@H](CSc1ccccc1)[NH2+][C@@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000181667351 821933531 /nfs/dbraw/zinc/93/35/31/821933531.db2.gz LIZCTYUJQNTNIF-DOTOQJQBSA-N 1 0 378.563 4.280 20 0 GIADRO COc1ccccc1CC1CC[NH+](CC2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC000181675007 821938598 /nfs/dbraw/zinc/93/85/98/821938598.db2.gz FRJKNUADUUHXJF-UHFFFAOYSA-N 1 0 386.580 4.234 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@H]2CCN(c3ccccn3)C2)ccc1SC(F)F ZINC000181702543 821950791 /nfs/dbraw/zinc/95/07/91/821950791.db2.gz HUKPCJZQWUXLSG-ZFWWWQNUSA-N 1 0 379.476 4.334 20 0 GIADRO Brc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCN(c3ccccn3)C1)CCS2 ZINC000181703160 821951346 /nfs/dbraw/zinc/95/13/46/821951346.db2.gz CWZFOZTXWKWWOD-GDBMZVCRSA-N 1 0 390.350 4.250 20 0 GIADRO C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1ccc(OCC#N)cc1 ZINC000181729904 821965246 /nfs/dbraw/zinc/96/52/46/821965246.db2.gz BYCAFSTVYFJNEU-CYFREDJKSA-N 1 0 399.494 4.490 20 0 GIADRO CC(C)(C)C(=O)N1CCC(C[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccco2)CC1 ZINC000181739538 821970780 /nfs/dbraw/zinc/97/07/80/821970780.db2.gz YIHNEUHBNYETNI-OAQYLSRUSA-N 1 0 398.547 4.100 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(NC(N)=O)cc2)c(Br)c1 ZINC000181746737 821973733 /nfs/dbraw/zinc/97/37/33/821973733.db2.gz JXHMMPJCVBONLF-VXGBXAGGSA-N 1 0 392.297 4.360 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@H](C)c2ccc(-n3ccnn3)cc2)ccc1OC(F)F ZINC000181748146 821974306 /nfs/dbraw/zinc/97/43/06/821974306.db2.gz PDZOZHIUIOTYFX-KGLIPLIRSA-N 1 0 388.418 4.289 20 0 GIADRO C[C@@H]([NH2+]CCCOc1ccc(S(C)(=O)=O)cc1)c1c(F)cccc1Cl ZINC000181748591 821975103 /nfs/dbraw/zinc/97/51/03/821975103.db2.gz BAVCZPHLUSBZHO-CYBMUJFWSA-N 1 0 385.888 4.002 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1ccc(C(F)(F)F)cc1Cl ZINC000181759554 821979589 /nfs/dbraw/zinc/97/95/89/821979589.db2.gz LXCDQWMBONXDND-UHFFFAOYSA-N 1 0 397.828 4.148 20 0 GIADRO CC(C)C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]CC1CCS(=O)(=O)CC1 ZINC000181763141 821981765 /nfs/dbraw/zinc/98/17/65/821981765.db2.gz RKOSSIQMCPHIMA-QGZVFWFLSA-N 1 0 392.392 4.365 20 0 GIADRO Cc1cc(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)ccc1Oc1cccnc1 ZINC000181763504 821981893 /nfs/dbraw/zinc/98/18/93/821981893.db2.gz GPNAYZGBTPYJAR-GOSISDBHSA-N 1 0 380.492 4.132 20 0 GIADRO O=S1(=O)CCC(C[NH2+][C@H](CCc2ccccc2Cl)c2ccccc2)CC1 ZINC000181763921 821982372 /nfs/dbraw/zinc/98/23/72/821982372.db2.gz VRZWOQLAPRLUMJ-OAQYLSRUSA-N 1 0 391.964 4.428 20 0 GIADRO CCOc1cccc2cc([C@H](C)[NH2+]C[C@H](O)c3cc(OC)cc(OC)c3)oc21 ZINC000181771721 821986371 /nfs/dbraw/zinc/98/63/71/821986371.db2.gz WZSYIOXJDMQMBA-LIRRHRJNSA-N 1 0 385.460 4.233 20 0 GIADRO CC[C@@H](NC1CC[NH+](C[C@H]2CCOC2)CC1)c1cc(F)cc(Br)c1 ZINC000181774922 821987651 /nfs/dbraw/zinc/98/76/51/821987651.db2.gz DELJBHWYZMARAX-AUUYWEPGSA-N 1 0 399.348 4.130 20 0 GIADRO C[C@@H]([NH2+]CCCOC[C@H]1CCOC1)c1cc2cc(Br)ccc2o1 ZINC000181793303 821994598 /nfs/dbraw/zinc/99/45/98/821994598.db2.gz FRXBNKITJNOYJY-ZIAGYGMSSA-N 1 0 382.298 4.289 20 0 GIADRO C[C@@H]([NH2+]CCCOC[C@@H]1CCOC1)c1cc2cc(Br)ccc2o1 ZINC000181793268 821994623 /nfs/dbraw/zinc/99/46/23/821994623.db2.gz FRXBNKITJNOYJY-KGLIPLIRSA-N 1 0 382.298 4.289 20 0 GIADRO CC(C)(C)C[C@H](NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C(F)(F)F ZINC000181800094 821997568 /nfs/dbraw/zinc/99/75/68/821997568.db2.gz BGGVTIOQXNEDTB-KBMXLJTQSA-N 1 0 375.479 4.012 20 0 GIADRO CC[C@H]([NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1OC(F)F ZINC000181800832 821998246 /nfs/dbraw/zinc/99/82/46/821998246.db2.gz WOZOZCKIFKBGAG-HKUYNNGSSA-N 1 0 388.458 4.377 20 0 GIADRO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(N2CCCC2)cc1)c1ccc(OC)cc1 ZINC000181806054 822000362 /nfs/dbraw/zinc/00/03/62/822000362.db2.gz MCDJGGUIZYXQFJ-VGOFRKELSA-N 1 0 381.520 4.363 20 0 GIADRO O=C1C[C@H](C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)CN1Cc1ccccc1 ZINC000181812583 822003200 /nfs/dbraw/zinc/00/32/00/822003200.db2.gz TYYMMSRUNQOZTM-YLJYHZDGSA-N 1 0 384.907 4.192 20 0 GIADRO C[C@H]([NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1OC(F)(F)F ZINC000181819637 822005720 /nfs/dbraw/zinc/00/57/20/822005720.db2.gz ZVYVDUNWQWGSJH-RDJZCZTQSA-N 1 0 392.421 4.285 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)C12CCC2 ZINC000181836789 822012847 /nfs/dbraw/zinc/01/28/47/822012847.db2.gz ZFYNNVUYIGIPJF-BDTNDASRSA-N 1 0 399.556 4.117 20 0 GIADRO C[C@@H](C[NH2+][C@@H](C)c1cnn(Cc2ccccc2)c1)c1nc(-c2ccccc2)no1 ZINC000181846304 822015441 /nfs/dbraw/zinc/01/54/41/822015441.db2.gz DEHRDDQCGRJGFU-ROUUACIJSA-N 1 0 387.487 4.436 20 0 GIADRO CSc1ccc(CN(C)C(=O)C[NH2+][C@@H](C)c2cccc(N3CCCC3)c2)cc1 ZINC000181854189 822017338 /nfs/dbraw/zinc/01/73/38/822017338.db2.gz JGDWSUZBOUPWGR-SFHVURJKSA-N 1 0 397.588 4.318 20 0 GIADRO C[C@@H]([NH2+]CCCCN1C(=O)c2ccccc2C1=O)c1cccc(N2CCCC2)c1 ZINC000181874730 822023356 /nfs/dbraw/zinc/02/33/56/822023356.db2.gz PICJJLWFOJYKDI-GOSISDBHSA-N 1 0 391.515 4.014 20 0 GIADRO Cc1cc(NC(=O)C[NH2+][C@@H](CC(C)C)c2cccc(C(F)(F)F)c2)n(C)n1 ZINC000181885529 822026320 /nfs/dbraw/zinc/02/63/20/822026320.db2.gz ZFJNOLPETZJBDV-INIZCTEOSA-N 1 0 382.430 4.063 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(NC(=O)OC(C)(C)C)c1)c1ccc(-n2cncn2)cc1 ZINC000181899662 822031179 /nfs/dbraw/zinc/03/11/79/822031179.db2.gz BYGBRLYNLPARIB-MRXNPFEDSA-N 1 0 393.491 4.465 20 0 GIADRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000181901896 822031436 /nfs/dbraw/zinc/03/14/36/822031436.db2.gz ZITSYCMZFBITCR-GFCCVEGCSA-N 1 0 397.353 4.091 20 0 GIADRO CC1(C)[C@H]([NH2+]Cc2ccc(C(=O)Nc3ccc(F)cc3)cc2)[C@@H]2CCCO[C@@H]21 ZINC000181905238 822033008 /nfs/dbraw/zinc/03/30/08/822033008.db2.gz IFYHDBPPDAMPMS-HBMCJLEFSA-N 1 0 382.479 4.371 20 0 GIADRO Cc1ccc2c(c1)[C@@H](NC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)[C@H](C)C2 ZINC000181907986 822033696 /nfs/dbraw/zinc/03/36/96/822033696.db2.gz JKQQRORDEHWBBB-VGSWGCGISA-N 1 0 381.520 4.127 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1ccnn1C1CCCC1)c1cccc(OC(F)(F)F)c1 ZINC000181908598 822033994 /nfs/dbraw/zinc/03/39/94/822033994.db2.gz CKVRMCNVVFYLAT-ZDUSSCGKSA-N 1 0 396.413 4.186 20 0 GIADRO CCOC(=O)N1CCC([NH2+][C@H](c2ccc(F)cc2)c2ccc(OC)cc2)CC1 ZINC000181917473 822036211 /nfs/dbraw/zinc/03/62/11/822036211.db2.gz ZWFQPGYJODCJGO-OAQYLSRUSA-N 1 0 386.467 4.134 20 0 GIADRO COc1ccc(C[C@@H](C)C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)cc1OC ZINC000181934000 822039635 /nfs/dbraw/zinc/03/96/35/822039635.db2.gz KJNTVSPSEWSGKQ-QZTJIDSGSA-N 1 0 398.547 4.128 20 0 GIADRO CC(C)[C@H]([NH2+]CCCS(=O)(=O)Cc1ccccc1)c1ccc(F)c(F)c1 ZINC000181973472 822049368 /nfs/dbraw/zinc/04/93/68/822049368.db2.gz ZAOLCQMDJASMGK-FQEVSTJZSA-N 1 0 381.488 4.257 20 0 GIADRO CCn1c(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C(C)C)nc2cc(F)ccc21 ZINC000181979661 822051589 /nfs/dbraw/zinc/05/15/89/822051589.db2.gz QVFAYWAKXZQRJC-QFIPXVFZSA-N 1 0 383.467 4.453 20 0 GIADRO Cc1cccc(Oc2ccc(NC(=O)N3CC[C@H](C[NH+]4CCCC4)C3)cn2)c1C ZINC000181979724 822051829 /nfs/dbraw/zinc/05/18/29/822051829.db2.gz YOEOCYWXWYFCCV-LJQANCHMSA-N 1 0 394.519 4.440 20 0 GIADRO C[NH+](C)CC1CCN(c2ccc(NC(=O)c3c[nH]c4cc(F)ccc34)cc2)CC1 ZINC000181990084 822055750 /nfs/dbraw/zinc/05/57/50/822055750.db2.gz PMJLCFKLAVJTLC-UHFFFAOYSA-N 1 0 394.494 4.337 20 0 GIADRO Clc1ccc(OCc2cccnc2)c(C[NH2+][C@H]2CCN(c3ccccn3)C2)c1 ZINC000181993206 822056424 /nfs/dbraw/zinc/05/64/24/822056424.db2.gz BADIKYIUINCYOC-FQEVSTJZSA-N 1 0 394.906 4.078 20 0 GIADRO Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000182013332 822062628 /nfs/dbraw/zinc/06/26/28/822062628.db2.gz GGRMGGJTLXDZLK-CQSZACIVSA-N 1 0 396.466 4.034 20 0 GIADRO Cc1ccc(N2CCC(C(=O)N[C@H]3CCCOc4cc(Cl)ccc43)CC2)nc1 ZINC000182021475 822065522 /nfs/dbraw/zinc/06/55/22/822065522.db2.gz BVGZZTNYJZBRMR-IBGZPJMESA-N 1 0 399.922 4.290 20 0 GIADRO Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000182031751 822068475 /nfs/dbraw/zinc/06/84/75/822068475.db2.gz KULAYVFRQFMEOT-VQTJNVASSA-N 1 0 384.568 4.323 20 0 GIADRO COc1ccc([C@H]([NH2+]Cc2csc(-c3ccc(C(N)=O)cc3)n2)C(C)C)cc1 ZINC000182059545 822077897 /nfs/dbraw/zinc/07/78/97/822077897.db2.gz BOGYGIPJSLWBNB-HXUWFJFHSA-N 1 0 395.528 4.405 20 0 GIADRO C[C@@H](C[NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1)Cc1ccccc1 ZINC000182061814 822078344 /nfs/dbraw/zinc/07/83/44/822078344.db2.gz LAOAKFDEUJESFV-LJQANCHMSA-N 1 0 388.515 4.372 20 0 GIADRO Cc1ccc2[nH]cc(CCC(=O)Nc3ccccc3C[NH+]3CCC(O)CC3)c2c1 ZINC000182065757 822079487 /nfs/dbraw/zinc/07/94/87/822079487.db2.gz PBPJMUUJWGWUIQ-UHFFFAOYSA-N 1 0 391.515 4.004 20 0 GIADRO Cc1cccc(COc2ccc([C@H](C)[NH2+]CC(=O)N(C)c3nccs3)cc2)c1 ZINC000182070745 822081463 /nfs/dbraw/zinc/08/14/63/822081463.db2.gz SCEOUKKIAULWQT-KRWDZBQOSA-N 1 0 395.528 4.344 20 0 GIADRO CC(=O)Nc1ccc([C@H](C)[NH2+][C@H](CNC(=O)OC(C)(C)C)CC(C)C)cc1 ZINC000182076162 822083410 /nfs/dbraw/zinc/08/34/10/822083410.db2.gz ATMHLTNWPJXJRQ-KXBFYZLASA-N 1 0 377.529 4.235 20 0 GIADRO Cc1nc(CN2CCC(C[NH2+][C@H]3CCCOc4cc(F)ccc43)CC2)oc1C ZINC000182077491 822083606 /nfs/dbraw/zinc/08/36/06/822083606.db2.gz PFRZQIQRECUXAM-FQEVSTJZSA-N 1 0 387.499 4.146 20 0 GIADRO CCc1c2ccccc2oc1[C@H](C)[NH2+][C@H](C)Cn1ncc2ccccc2c1=O ZINC000182092615 822090882 /nfs/dbraw/zinc/09/08/82/822090882.db2.gz FWSKFFBDJPGZAB-CVEARBPZSA-N 1 0 375.472 4.444 20 0 GIADRO CCSc1ccc([C@H](C)[NH2+]CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)cc1 ZINC000182112963 822098980 /nfs/dbraw/zinc/09/89/80/822098980.db2.gz SBVNJTKHRIANSK-OALUTQOASA-N 1 0 397.588 4.092 20 0 GIADRO C[C@@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C(F)(F)F)c1ccccc1 ZINC000182118998 822102407 /nfs/dbraw/zinc/10/24/07/822102407.db2.gz LKEWBIVNZRSNMO-OAHLLOKOSA-N 1 0 391.437 4.199 20 0 GIADRO CC(=O)N(C)C1CC[NH+](Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)CC1 ZINC000182128661 822107772 /nfs/dbraw/zinc/10/77/72/822107772.db2.gz IBVFYPWOTXKEQE-UHFFFAOYSA-N 1 0 380.410 4.408 20 0 GIADRO CC(C)c1ccc(C2(O)CCC([NH2+][C@H]3CCN(c4ccccn4)C3)CC2)cc1 ZINC000182166551 822126824 /nfs/dbraw/zinc/12/68/24/822126824.db2.gz WPOGOFGCPSWYOA-MHIUNMELSA-N 1 0 379.548 4.204 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCCOc2cc(Cl)ccc21)c1ccc(NS(C)(=O)=O)cc1 ZINC000182167556 822127589 /nfs/dbraw/zinc/12/75/89/822127589.db2.gz HYWSEXGDHALSER-SCLBCKFNSA-N 1 0 394.924 4.276 20 0 GIADRO CCCc1c(NC(=O)c2cccc(C[NH+](C)C)c2)cnn1-c1cccc(F)c1 ZINC000182170950 822129655 /nfs/dbraw/zinc/12/96/55/822129655.db2.gz MGWQGBOQKXJHRK-UHFFFAOYSA-N 1 0 380.467 4.278 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCCOc2cc(Cl)ccc21)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000182171599 822130264 /nfs/dbraw/zinc/13/02/64/822130264.db2.gz PRJZKYJYUUDYRN-SJKOYZFVSA-N 1 0 397.899 4.447 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCCOc2c(Cl)cccc21)c1ccc(NS(C)(=O)=O)cc1 ZINC000182177567 822133916 /nfs/dbraw/zinc/13/39/16/822133916.db2.gz LIWKQEXCOVNHSM-FZKQIMNGSA-N 1 0 394.924 4.276 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCCOc2c(Cl)cccc21)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000182181669 822136062 /nfs/dbraw/zinc/13/60/62/822136062.db2.gz MJXZPBBRQYCJIH-YVEFUNNKSA-N 1 0 397.899 4.447 20 0 GIADRO CC[NH+]1CCN(c2ccc(N[C@H](C)c3ccc(NC(C)=O)cc3)c(C)c2)CC1 ZINC000182181634 822136085 /nfs/dbraw/zinc/13/60/85/822136085.db2.gz SQLGNXIKILFCGN-GOSISDBHSA-N 1 0 380.536 4.268 20 0 GIADRO Brc1ccccc1CCC[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000182219704 822153104 /nfs/dbraw/zinc/15/31/04/822153104.db2.gz LPHHZVGGMZQZLO-MRXNPFEDSA-N 1 0 389.341 4.188 20 0 GIADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]C2(c3cccc(F)c3)CC2)cc1 ZINC000182221509 822153981 /nfs/dbraw/zinc/15/39/81/822153981.db2.gz ZBXXJDRRJDPQQX-INIZCTEOSA-N 1 0 390.524 4.196 20 0 GIADRO COc1cccc([C@@H]2[C@H]([NH2+][C@@H](C)c3ccc(NC(C)=O)cc3)CCN2C2CC2)c1 ZINC000182223164 822154895 /nfs/dbraw/zinc/15/48/95/822154895.db2.gz ONSGDHVEDQNCSN-NAKSJZFLSA-N 1 0 393.531 4.282 20 0 GIADRO COc1cc(C[NH2+][C@H]2CCCOc3cc(Cl)ccc32)cc(OC)c1OC ZINC000182232572 822158506 /nfs/dbraw/zinc/15/85/06/822158506.db2.gz QASLMJOCPUAGBT-INIZCTEOSA-N 1 0 377.868 4.369 20 0 GIADRO Cc1ccc(C(=O)NCC[C@H](C)[NH+]2CCCCC2)cc1NC(=O)c1ccccc1 ZINC000182232547 822158577 /nfs/dbraw/zinc/15/85/77/822158577.db2.gz RJMKIBJBNLAALI-IBGZPJMESA-N 1 0 393.531 4.242 20 0 GIADRO Cc1ccc(CNC(=O)C2CC[NH+](CCCOCc3ccccc3)CC2)cc1F ZINC000182241973 822163414 /nfs/dbraw/zinc/16/34/14/822163414.db2.gz BPGPGWMCCKYDKI-UHFFFAOYSA-N 1 0 398.522 4.069 20 0 GIADRO CN(C)C(=O)N1CCC([NH2+][C@H](c2cccs2)c2ccc3c(c2)CCCC3)CC1 ZINC000182248896 822167483 /nfs/dbraw/zinc/16/74/83/822167483.db2.gz ZSRCLNKREHMXRX-QFIPXVFZSA-N 1 0 397.588 4.452 20 0 GIADRO CCS(=O)(=O)C[C@H](C)[NH2+][C@H](c1cccs1)c1ccc2c(c1)CCCC2 ZINC000182248827 822167522 /nfs/dbraw/zinc/16/75/22/822167522.db2.gz ZEUNNGQIFGRYHK-YWZLYKJASA-N 1 0 377.575 4.129 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]C2(c3cccc(Cl)c3)CC2)c1 ZINC000182259094 822172987 /nfs/dbraw/zinc/17/29/87/822172987.db2.gz LWWZSDUZVFBNNR-AWEZNQCLSA-N 1 0 388.895 4.353 20 0 GIADRO CC1(C)[C@H](OCc2ccccc2)C[C@@H]1[NH2+]C1CCN(C(=O)c2ccccc2)CC1 ZINC000182263986 822176894 /nfs/dbraw/zinc/17/68/94/822176894.db2.gz PEFWGBXCEMXLPJ-XZOQPEGZSA-N 1 0 392.543 4.265 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Nc1ccnn1-c1ccccc1C ZINC000182268245 822180022 /nfs/dbraw/zinc/18/00/22/822180022.db2.gz UHZRXHPKMHQCGR-UHFFFAOYSA-N 1 0 391.519 4.296 20 0 GIADRO Cc1cc2ncc([C@H](C)[NH2+]C3(c4cccc(Br)c4)CC3)c(C)n2n1 ZINC000182272282 822181388 /nfs/dbraw/zinc/18/13/88/822181388.db2.gz GNKXBLIYDUEVOM-ZDUSSCGKSA-N 1 0 385.309 4.449 20 0 GIADRO Brc1cccc(C2([NH2+]C3CCN(Cc4ccncc4)CC3)CC2)c1 ZINC000182273593 822182426 /nfs/dbraw/zinc/18/24/26/822182426.db2.gz SVNWRVUYXCGIRS-UHFFFAOYSA-N 1 0 386.337 4.087 20 0 GIADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H](c2ccc(Cl)cc2F)C(C)C)c1 ZINC000182276137 822183313 /nfs/dbraw/zinc/18/33/13/822183313.db2.gz NHGXEIKQQGQFOA-BFUOFWGJSA-N 1 0 398.931 4.435 20 0 GIADRO CC(C)[C@H]([NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1)c1ccc(Cl)cc1F ZINC000182276363 822183365 /nfs/dbraw/zinc/18/33/65/822183365.db2.gz GGFYPQRCXAZZLR-SGTLLEGYSA-N 1 0 384.904 4.174 20 0 GIADRO O=C(NCCc1ccc(OCC[NH+]2CCCC2)cc1)c1cccc(C(F)F)c1 ZINC000182285818 822187432 /nfs/dbraw/zinc/18/74/32/822187432.db2.gz JYCKFYQVMUUPIZ-UHFFFAOYSA-N 1 0 388.458 4.071 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)Cc1ccc(Br)cc1C ZINC000182302677 822193892 /nfs/dbraw/zinc/19/38/92/822193892.db2.gz QPNUNINCOZHBKP-UHFFFAOYSA-N 1 0 375.310 4.309 20 0 GIADRO CCOC(=O)c1sc2[nH]c([C@H](C)[NH2+][C@@H](C)c3ccc(C)cc3)nc(=O)c2c1C ZINC000182329852 822204207 /nfs/dbraw/zinc/20/42/07/822204207.db2.gz CKHXNEMROBJMTC-KBPBESRZSA-N 1 0 399.516 4.190 20 0 GIADRO C[C@@H](CCOc1ccccc1)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000182350582 822210901 /nfs/dbraw/zinc/21/09/01/822210901.db2.gz JXJZWXFGTUVCAT-IBGZPJMESA-N 1 0 395.547 4.261 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3cc4cc(F)ccc4o3)cc2)CC1 ZINC000182351469 822211329 /nfs/dbraw/zinc/21/13/29/822211329.db2.gz NWKGPXQEDUNIJF-UHFFFAOYSA-N 1 0 381.451 4.355 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3ccc(OC(F)F)cc3)cc2)CC1 ZINC000182354727 822212678 /nfs/dbraw/zinc/21/26/78/822212678.db2.gz FTCRNAQVTNKDKF-UHFFFAOYSA-N 1 0 389.446 4.071 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3cc(F)c(Cl)cc3F)cc2)CC1 ZINC000182358702 822214030 /nfs/dbraw/zinc/21/40/30/822214030.db2.gz MHQSYRXOCCEEMN-UHFFFAOYSA-N 1 0 393.865 4.401 20 0 GIADRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)c1 ZINC000182359606 822214350 /nfs/dbraw/zinc/21/43/50/822214350.db2.gz LCVIQITZOKVAJP-NEPJUHHUSA-N 1 0 397.302 4.236 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3coc(-c4ccccc4)n3)cc2)CC1 ZINC000182359795 822214852 /nfs/dbraw/zinc/21/48/52/822214852.db2.gz SUIXWHXDNRYVFM-UHFFFAOYSA-N 1 0 390.487 4.124 20 0 GIADRO C[C@H](CC(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1)c1ccccc1F ZINC000182368385 822217723 /nfs/dbraw/zinc/21/77/23/822217723.db2.gz ZMOZWKKNIWANCE-QGZVFWFLSA-N 1 0 383.511 4.488 20 0 GIADRO C[C@H](C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1)c1c(F)cccc1F ZINC000182370451 822218521 /nfs/dbraw/zinc/21/85/21/822218521.db2.gz RFMCWDUPENOGTC-HNNXBMFYSA-N 1 0 387.474 4.237 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H]3C[C@H]3c3cccc(F)c3F)cc2)CC1 ZINC000182371397 822219077 /nfs/dbraw/zinc/21/90/77/822219077.db2.gz PDXGNXPNIJHURU-VQTJNVASSA-N 1 0 399.485 4.237 20 0 GIADRO C[C@@H](NC(=O)NCc1ccc(C(F)(F)F)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182379758 822221656 /nfs/dbraw/zinc/22/16/56/822221656.db2.gz SELAMVRPMVXEBQ-GDBMZVCRSA-N 1 0 383.458 4.158 20 0 GIADRO C[C@H](NC(=O)NCc1ccc(C(F)(F)F)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182379780 822222258 /nfs/dbraw/zinc/22/22/58/822222258.db2.gz SELAMVRPMVXEBQ-HOCLYGCPSA-N 1 0 383.458 4.158 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1cccc(Br)c1Cl)c1ccccc1 ZINC000182386988 822224699 /nfs/dbraw/zinc/22/46/99/822224699.db2.gz JNJDCYAHRDOBJJ-HNNXBMFYSA-N 1 0 381.701 4.135 20 0 GIADRO COc1ccc([C@@H](CCO)[NH2+]Cc2cc(C)nc(-c3ccc(Cl)cc3)n2)cc1 ZINC000182400581 822230194 /nfs/dbraw/zinc/23/01/94/822230194.db2.gz OJIRZNIBTMCLLR-OAQYLSRUSA-N 1 0 397.906 4.327 20 0 GIADRO COc1ccc(NC(=O)CC[NH2+][C@@H](C)c2ccc(OCC(F)(F)F)cc2)cc1 ZINC000182406672 822232079 /nfs/dbraw/zinc/23/20/79/822232079.db2.gz UAQGRRMDRWWEHT-AWEZNQCLSA-N 1 0 396.409 4.316 20 0 GIADRO Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000182408304 822232786 /nfs/dbraw/zinc/23/27/86/822232786.db2.gz IQYQAOOGEKHYFL-PXNSSMCTSA-N 1 0 389.588 4.308 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3sccc3-n3cccc3)cc2)CC1 ZINC000182433070 822241276 /nfs/dbraw/zinc/24/12/76/822241276.db2.gz USRREXGHZRFVLY-UHFFFAOYSA-N 1 0 394.544 4.322 20 0 GIADRO COc1ccc(NC(=O)CC[NH2+][C@@H](C)c2ccc(-c3ccncc3)cc2)cc1 ZINC000182439922 822243464 /nfs/dbraw/zinc/24/34/64/822243464.db2.gz VNHRQMFXBSVBIM-KRWDZBQOSA-N 1 0 375.472 4.437 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3nc4ccccc4s3)cc2)CC1 ZINC000182444756 822245300 /nfs/dbraw/zinc/24/53/00/822245300.db2.gz AXJAOHIFWJEPKV-UHFFFAOYSA-N 1 0 380.517 4.079 20 0 GIADRO CCC(CC)n1ncc(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)c1C ZINC000182447305 822246014 /nfs/dbraw/zinc/24/60/14/822246014.db2.gz PJCLTQOUWFLUID-UHFFFAOYSA-N 1 0 397.567 4.335 20 0 GIADRO COc1ccc(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)cc1OC1CCCC1 ZINC000182460987 822251835 /nfs/dbraw/zinc/25/18/35/822251835.db2.gz RVQWVTVKWPQHOM-UHFFFAOYSA-N 1 0 386.536 4.107 20 0 GIADRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)C(=O)N[C@H](C)c2cccc3ccccc32)c1 ZINC000182469866 822255222 /nfs/dbraw/zinc/25/52/22/822255222.db2.gz LKTCYNUGIGDQQQ-IXDOHACOSA-N 1 0 392.499 4.471 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)NCc2cccc3cccnc32)CC1 ZINC000182471941 822255988 /nfs/dbraw/zinc/25/59/88/822255988.db2.gz ZDMYGUQXQLAXHY-UHFFFAOYSA-N 1 0 382.552 4.278 20 0 GIADRO COCc1ccsc1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000182476784 822257580 /nfs/dbraw/zinc/25/75/80/822257580.db2.gz HAVWVQTWAQRPSH-QUCCMNQESA-N 1 0 384.545 4.021 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2cncn2-c2ccc(F)cc2)CC1 ZINC000177962823 822259060 /nfs/dbraw/zinc/25/90/60/822259060.db2.gz JETPICLFNMENEY-SFHVURJKSA-N 1 0 398.526 4.128 20 0 GIADRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(Cl)cc1)c1ccc(OC(F)F)cc1 ZINC000177970779 822262702 /nfs/dbraw/zinc/26/27/02/822262702.db2.gz SACRFERNNRYHTN-LBPRGKRZSA-N 1 0 389.851 4.066 20 0 GIADRO Cc1c(C(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)oc2c1C(=O)CCC2 ZINC000177971415 822263392 /nfs/dbraw/zinc/26/33/92/822263392.db2.gz TYGRSUAOYVOIGO-INIZCTEOSA-N 1 0 386.536 4.224 20 0 GIADRO CC[C@@H]([NH2+]C[C@H](O)COC(c1ccccc1)c1ccccc1)c1c(C)noc1C ZINC000182491670 822264872 /nfs/dbraw/zinc/26/48/72/822264872.db2.gz OFCGNIUZULKPQZ-FCHUYYIVSA-N 1 0 394.515 4.499 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)c(OC)c1 ZINC000177977328 822266635 /nfs/dbraw/zinc/26/66/35/822266635.db2.gz WTNPVGJWZRKKFK-HOTGVXAUSA-N 1 0 378.513 4.002 20 0 GIADRO CC(=O)c1ccc(NC(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)cc1Cl ZINC000182496595 822267184 /nfs/dbraw/zinc/26/71/84/822267184.db2.gz QZPTZSSGTXMYCT-GOSISDBHSA-N 1 0 389.883 4.403 20 0 GIADRO CCC[C@@H]1C[C@H](C(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)CCO1 ZINC000182502087 822270722 /nfs/dbraw/zinc/27/07/22/822270722.db2.gz DCFBQMDXMFIVPY-QRVBRYPASA-N 1 0 378.582 4.233 20 0 GIADRO CC(C)(C)OC(=O)CCCC[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182513314 822277044 /nfs/dbraw/zinc/27/70/44/822277044.db2.gz LOAPHIYBQVUCSE-AWEZNQCLSA-N 1 0 375.435 4.051 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)C1 ZINC000178008085 822279469 /nfs/dbraw/zinc/27/94/69/822279469.db2.gz DIXSIHWGZIKKHW-INIZCTEOSA-N 1 0 378.476 4.300 20 0 GIADRO C[C@@H]([NH2+]CCc1ccc(F)c(Br)c1)c1ccc([S@@](C)=O)cc1 ZINC000178009370 822280309 /nfs/dbraw/zinc/28/03/09/822280309.db2.gz DHXWPOQCGJIQOF-VERVWZFWSA-N 1 0 384.314 4.219 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(N(C)Cc3ccccc3)cc2)C1 ZINC000178019120 822284407 /nfs/dbraw/zinc/28/44/07/822284407.db2.gz ONAGZADHPWRKRJ-FQEVSTJZSA-N 1 0 380.536 4.129 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc2c(c1)OCCCO2)c1ccc(N2CCCC2=O)cc1 ZINC000178021273 822285616 /nfs/dbraw/zinc/28/56/16/822285616.db2.gz FMNFTNLQGIQCQS-IAGOWNOFSA-N 1 0 380.488 4.387 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccccc1Br)c1ccc(NS(C)(=O)=O)cc1 ZINC000178027008 822288774 /nfs/dbraw/zinc/28/87/74/822288774.db2.gz FESMAFCPMQOMTQ-OLZOCXBDSA-N 1 0 397.338 4.232 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccccc1Br)c1ccc(NS(C)(=O)=O)cc1 ZINC000178027033 822288970 /nfs/dbraw/zinc/28/89/70/822288970.db2.gz FESMAFCPMQOMTQ-CHWSQXEVSA-N 1 0 397.338 4.232 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)C1 ZINC000178035942 822292638 /nfs/dbraw/zinc/29/26/38/822292638.db2.gz LGKBGNXVGXCXCY-GFCCVEGCSA-N 1 0 393.837 4.087 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+]CC(=O)N2CC[C@@H](C)Sc3ccccc32)c1 ZINC000182543362 822293669 /nfs/dbraw/zinc/29/36/69/822293669.db2.gz BTHZBAZREDTJNH-CVEARBPZSA-N 1 0 397.544 4.213 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+]CC(=O)Nc2cccc(Cl)c2Cl)c1 ZINC000182550656 822297036 /nfs/dbraw/zinc/29/70/36/822297036.db2.gz QXXYXCCTNOXKCG-NSHDSACASA-N 1 0 380.275 4.241 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+]CC(=O)N[C@H](c2ccccc2)C2CCCC2)c1 ZINC000182551038 822297724 /nfs/dbraw/zinc/29/77/24/822297724.db2.gz QVXASCQVBJFLIM-BXKMTCNYSA-N 1 0 393.531 4.343 20 0 GIADRO COc1cc([C@@H](C)[NH2+]CCc2csc3ccccc23)ccc1S(C)(=O)=O ZINC000178047739 822298986 /nfs/dbraw/zinc/29/89/86/822298986.db2.gz ADUCVGASFYBULI-CQSZACIVSA-N 1 0 389.542 4.207 20 0 GIADRO C[C@H]([NH2+]Cc1cccnc1-n1cncn1)c1cccc(OCc2ccccc2)c1 ZINC000178048189 822299007 /nfs/dbraw/zinc/29/90/07/822299007.db2.gz IGPJSPSUHBDYQG-SFHVURJKSA-N 1 0 385.471 4.092 20 0 GIADRO CCc1ccc2c(C[NH+]3CCC(CCC(=O)N(CC)CC)CC3)cc(=O)oc2c1 ZINC000182553048 822299176 /nfs/dbraw/zinc/29/91/76/822299176.db2.gz OACSSJAEJDMNLO-UHFFFAOYSA-N 1 0 398.547 4.216 20 0 GIADRO C[C@@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccccc1OCc1ccccc1 ZINC000178050560 822300799 /nfs/dbraw/zinc/30/07/99/822300799.db2.gz RRNITXYAACXKMW-GOSISDBHSA-N 1 0 385.471 4.092 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1)c1cccs1 ZINC000182558584 822301760 /nfs/dbraw/zinc/30/17/60/822301760.db2.gz HKOMAHKFTQLYHA-GFCCVEGCSA-N 1 0 375.494 4.224 20 0 GIADRO C[C@@H]([NH2+]CC(=O)NC1CCC(C)CC1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000182559783 822302443 /nfs/dbraw/zinc/30/24/43/822302443.db2.gz IOLQLONIDDMZLC-IDYZSHNDSA-N 1 0 393.531 4.284 20 0 GIADRO CCN(CC)C(=O)CCC1CC[NH+](Cc2ncc(-c3ccccc3F)o2)CC1 ZINC000182563039 822304232 /nfs/dbraw/zinc/30/42/32/822304232.db2.gz RBUAIQFLKYSFIW-UHFFFAOYSA-N 1 0 387.499 4.341 20 0 GIADRO C[C@H]([NH2+]CC(=O)N[C@@H]1CCCC[C@H]1C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000182563790 822304843 /nfs/dbraw/zinc/30/48/43/822304843.db2.gz GXMQNTVOIGKKNJ-KGVIQGDOSA-N 1 0 393.531 4.284 20 0 GIADRO CC[NH+]1CCN(c2ccc(N[C@H](C)c3ccc([S@@](C)=O)cc3)c(C)c2)CC1 ZINC000182565514 822305367 /nfs/dbraw/zinc/30/53/67/822305367.db2.gz MYMKCQMUGZXOAB-DNOBIOAJSA-N 1 0 385.577 4.047 20 0 GIADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2ccc(-c3ncco3)cc2)C1 ZINC000182565611 822305564 /nfs/dbraw/zinc/30/55/64/822305564.db2.gz FTVOXUYHBWZLPN-ROUUACIJSA-N 1 0 382.508 4.460 20 0 GIADRO CCCc1c(C(=O)N2CCC(CCC[NH+](C)C)CC2)cnn1-c1ccccc1 ZINC000182569906 822307030 /nfs/dbraw/zinc/30/70/30/822307030.db2.gz CBNOFLZEYVVDED-UHFFFAOYSA-N 1 0 382.552 4.019 20 0 GIADRO C[C@@H](c1cc(F)ccc1F)[NH+]1CCC(OCCCNC(=O)OC(C)(C)C)CC1 ZINC000178067320 822307891 /nfs/dbraw/zinc/30/78/91/822307891.db2.gz TWUAJRSKUULCAR-HNNXBMFYSA-N 1 0 398.494 4.422 20 0 GIADRO CC(C)(O)C[NH2+][C@H]1CCCc2nc(-c3ccccc3Br)sc21 ZINC000178069445 822308348 /nfs/dbraw/zinc/30/83/48/822308348.db2.gz XQWSYSCXHVLDMA-ZDUSSCGKSA-N 1 0 381.339 4.311 20 0 GIADRO CCc1nc(CN2CCC(C[NH2+][C@H](C)c3sc(C)nc3C)CC2)cs1 ZINC000178092532 822316031 /nfs/dbraw/zinc/31/60/31/822316031.db2.gz TXAZAKMBLLYIKL-CYBMUJFWSA-N 1 0 378.611 4.342 20 0 GIADRO CC[C@H]([NH2+]CC(=O)Nc1ccccc1N1CCCC1=O)c1cccc(Cl)c1 ZINC000182599654 822318202 /nfs/dbraw/zinc/31/82/02/822318202.db2.gz AKAWSXNSQGSXCY-KRWDZBQOSA-N 1 0 385.895 4.146 20 0 GIADRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+][C@@H](C)C(=O)NC3CCCC3)s2)cc1 ZINC000178099397 822319218 /nfs/dbraw/zinc/31/92/18/822319218.db2.gz DQQIWWWZCBLGNM-ZFWWWQNUSA-N 1 0 387.549 4.225 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1)c1ccc(N2CCOC2=O)cc1 ZINC000178102243 822320014 /nfs/dbraw/zinc/32/00/14/822320014.db2.gz WOHABZXHVWHHBC-MRXNPFEDSA-N 1 0 396.487 4.449 20 0 GIADRO Cc1nc(CN2CCC(C[NH2+][C@@H](C)c3ccc4ccccc4n3)CC2)oc1C ZINC000178106209 822321784 /nfs/dbraw/zinc/32/17/84/822321784.db2.gz FXSGTJOLEUJCOJ-KRWDZBQOSA-N 1 0 378.520 4.402 20 0 GIADRO CCc1ccc([C@H]([NH2+][C@@H](C)CCCOC)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000178107032 822322627 /nfs/dbraw/zinc/32/26/27/822322627.db2.gz AXJHFKALNOSMHM-JTSKRJEESA-N 1 0 389.561 4.147 20 0 GIADRO Cc1ccc(CNC(=O)c2cccc(CNC3CC[NH+](C(C)(C)C)CC3)c2)cc1 ZINC000178113918 822324284 /nfs/dbraw/zinc/32/42/84/822324284.db2.gz YJLMUVJSRLHFAB-UHFFFAOYSA-N 1 0 393.575 4.278 20 0 GIADRO O=C(c1ccccc1Cl)N1CCC([NH2+][C@@H](c2ccccc2)[C@@H]2CCCO2)CC1 ZINC000178119326 822325289 /nfs/dbraw/zinc/32/52/89/822325289.db2.gz MECVAVWZRUIEPN-VXKWHMMOSA-N 1 0 398.934 4.455 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)Nc2ccc(-c3ncco3)cc2)CC1 ZINC000182619924 822325827 /nfs/dbraw/zinc/32/58/27/822325827.db2.gz UIOSXXUBZIUCDS-UHFFFAOYSA-N 1 0 390.487 4.470 20 0 GIADRO COc1cc([C@@H](C)[NH2+]C/C=C/c2ccccc2)ccc1S(=O)(=O)C(F)F ZINC000178136403 822329525 /nfs/dbraw/zinc/32/95/25/822329525.db2.gz AXIIDIIKZKHZOY-VIIAAUOXSA-N 1 0 381.444 4.056 20 0 GIADRO C[C@H](NC(=O)NCCCc1c[nH]c2ccccc12)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182628049 822329537 /nfs/dbraw/zinc/32/95/37/822329537.db2.gz WFRDPXDUVFKVGT-PKOBYXMFSA-N 1 0 382.552 4.053 20 0 GIADRO CC(C)Oc1ccc([C@H](C)[NH2+]Cc2ccc(S(=O)(=O)C(F)F)cc2)cc1 ZINC000182630830 822331015 /nfs/dbraw/zinc/33/10/15/822331015.db2.gz UPLIXADNHLKJDY-AWEZNQCLSA-N 1 0 383.460 4.321 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(OC(C)C)cc2)ccc1S(C)(=O)=O ZINC000178142829 822331438 /nfs/dbraw/zinc/33/14/38/822331438.db2.gz ZPGBWJOPWIXYMS-JKSUJKDBSA-N 1 0 391.533 4.298 20 0 GIADRO CCOc1ccc([C@H](C)NC(=O)C[NH2+][C@H](C)c2cc3ccccc3o2)cc1OC ZINC000182636603 822332806 /nfs/dbraw/zinc/33/28/06/822332806.db2.gz YMKRDZSIYQKPIS-JKSUJKDBSA-N 1 0 396.487 4.368 20 0 GIADRO C[C@@H]([NH2+]CCCSc1ccc(F)cc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000178169321 822340123 /nfs/dbraw/zinc/34/01/23/822340123.db2.gz URPXCHLFMAYQTP-CQSZACIVSA-N 1 0 382.526 4.030 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+]CCNC(=O)c2ccccc2Cl)cc1OCC ZINC000178172846 822341596 /nfs/dbraw/zinc/34/15/96/822341596.db2.gz NMXGVHFWUQAGRL-OAHLLOKOSA-N 1 0 390.911 4.218 20 0 GIADRO C[C@H]([NH2+]CCNC(=O)c1ccccc1Cl)c1cccc(-c2ccncc2)c1 ZINC000178173046 822341613 /nfs/dbraw/zinc/34/16/13/822341613.db2.gz DEVZVHDFZLTFNP-INIZCTEOSA-N 1 0 379.891 4.483 20 0 GIADRO COc1ccc([C@H](C)Nc2cnn(CC(F)F)c2)cc1C[NH+]1CCCCC1 ZINC000182661222 822342869 /nfs/dbraw/zinc/34/28/69/822342869.db2.gz PPDCDLRNSGLXGD-HNNXBMFYSA-N 1 0 378.467 4.316 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc2ccccc2n1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000178180425 822344450 /nfs/dbraw/zinc/34/44/50/822344450.db2.gz SWJZMXYAZADGID-IRXDYDNUSA-N 1 0 389.499 4.304 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1ccc(SCC(F)F)cc1 ZINC000178190395 822347856 /nfs/dbraw/zinc/34/78/56/822347856.db2.gz LURBIVYCVBDBOX-GOEBONIOSA-N 1 0 378.492 4.153 20 0 GIADRO CCOC(=O)c1ccc(C[NH2+]C[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)o1 ZINC000182679065 822348951 /nfs/dbraw/zinc/34/89/51/822348951.db2.gz YIAFRBKVUGAJRD-IFXJQAMLSA-N 1 0 394.874 4.031 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1F)c1cccc(OC(F)(F)F)c1 ZINC000178203861 822352027 /nfs/dbraw/zinc/35/20/27/822352027.db2.gz JSSHBEFIQAWUPR-VIFPVBQESA-N 1 0 392.299 4.292 20 0 GIADRO Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000178224457 822355750 /nfs/dbraw/zinc/35/57/50/822355750.db2.gz IBTFUCLXWFVLDW-CQSZACIVSA-N 1 0 387.487 4.090 20 0 GIADRO C[C@H]([NH2+]C1CCN(Cc2ccncc2)CC1)c1ccccc1OC(F)(F)F ZINC000178231189 822356886 /nfs/dbraw/zinc/35/68/86/822356886.db2.gz BFJXZFCYQBXOGG-HNNXBMFYSA-N 1 0 379.426 4.295 20 0 GIADRO Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000178240467 822357670 /nfs/dbraw/zinc/35/76/70/822357670.db2.gz ODMSZVHPTWEUOC-QGZVFWFLSA-N 1 0 390.531 4.448 20 0 GIADRO O=C(N[C@H](c1ccco1)c1ccccc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000045027319 822358219 /nfs/dbraw/zinc/35/82/19/822358219.db2.gz ALZQFHWHPIYFKM-QHCPKHFHSA-N 1 0 389.499 4.333 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCO[C@@H](c2nccn2C)C1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000453405515 822358450 /nfs/dbraw/zinc/35/84/50/822358450.db2.gz SSAHJUKRONPHHK-FHKFTOANSA-N 1 0 398.334 4.393 20 0 GIADRO Cn1ccnc1[C@@H]1C[C@H]([NH2+][C@H](Cc2ccc(F)cc2)c2ccccc2)CCO1 ZINC000453404348 822358503 /nfs/dbraw/zinc/35/85/03/822358503.db2.gz RLPIEIZBCURJCB-VSKRKVRLSA-N 1 0 379.479 4.353 20 0 GIADRO Cn1ccnc1[C@@H]1C[C@@H]([NH2+][C@H]2CCCOc3cc4c(cc32)CCCC4)CCO1 ZINC000453404885 822358511 /nfs/dbraw/zinc/35/85/11/822358511.db2.gz RZKAPPQHBCTLRC-VCOUNFBDSA-N 1 0 381.520 4.023 20 0 GIADRO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]CC(C)(C)C1=CCCC1 ZINC000453406806 822358696 /nfs/dbraw/zinc/35/86/96/822358696.db2.gz UHXJPKKVMCJAEW-MRXNPFEDSA-N 1 0 383.536 4.478 20 0 GIADRO CCC(C)(C)OCC[NH2+][C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000453407623 822358710 /nfs/dbraw/zinc/35/87/10/822358710.db2.gz MFTBSZYJEWSYTQ-HXUWFJFHSA-N 1 0 393.524 4.113 20 0 GIADRO Cc1ccccc1[C@@H](C)CC(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000178252011 822358866 /nfs/dbraw/zinc/35/88/66/822358866.db2.gz JCEXXMUONHRZOS-PCCBWWKXSA-N 1 0 386.580 4.227 20 0 GIADRO Cc1cnc(CC[NH2+][C@@H](c2ccc(Br)cc2Cl)C2CC2)cn1 ZINC000453411639 822359158 /nfs/dbraw/zinc/35/91/58/822359158.db2.gz VUFQJOSOMSYJLW-QGZVFWFLSA-N 1 0 380.717 4.484 20 0 GIADRO COc1ccccc1CC(=O)N1CCC([NH2+][C@H]2CC(C)(C)c3ccccc32)CC1 ZINC000178260402 822360291 /nfs/dbraw/zinc/36/02/91/822360291.db2.gz HSLKQZRUVXOTDP-QFIPXVFZSA-N 1 0 392.543 4.241 20 0 GIADRO Cn1c2ccccc2c(Cl)c1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000045080787 822361690 /nfs/dbraw/zinc/36/16/90/822361690.db2.gz PKQHEXRMMWBTLF-MRXNPFEDSA-N 1 0 387.936 4.460 20 0 GIADRO O=C(Nc1ccccc1)Nc1ccc(C(=O)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000045084549 822361831 /nfs/dbraw/zinc/36/18/31/822361831.db2.gz RZVXUINFAMTZJK-UHFFFAOYSA-N 1 0 392.503 4.031 20 0 GIADRO O=C(c1ccc(C2SCCCS2)cc1)N1CC[NH+](C2CCCC2)CC1 ZINC000045084386 822361860 /nfs/dbraw/zinc/36/18/60/822361860.db2.gz JJURVZUOCSLZNL-UHFFFAOYSA-N 1 0 376.591 4.256 20 0 GIADRO CC[NH+](CC)CCCC1CCN(Cc2nnc(Cc3ccccc3C)o2)CC1 ZINC000182751528 822362083 /nfs/dbraw/zinc/36/20/83/822362083.db2.gz BUDBWEFPLIALQG-UHFFFAOYSA-N 1 0 384.568 4.303 20 0 GIADRO FC1(F)CC(CC[NH2+]C2CCN(Cc3ccccc3Br)CC2)C1 ZINC000453431954 822362213 /nfs/dbraw/zinc/36/22/13/822362213.db2.gz RXIWCRQSMIOSKM-UHFFFAOYSA-N 1 0 387.312 4.439 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(OC(F)F)cc2)cc1Cn1cccn1 ZINC000178282532 822362988 /nfs/dbraw/zinc/36/29/88/822362988.db2.gz ZDJOOXCEWRDKNG-OAHLLOKOSA-N 1 0 387.430 4.392 20 0 GIADRO COc1ccc(C)cc1NC(=O)[C@@H]([NH2+]CC[C@@H]1CCCCO1)c1ccccc1 ZINC000182759065 822363422 /nfs/dbraw/zinc/36/34/22/822363422.db2.gz HGDBUOVQLDPQFE-UGKGYDQZSA-N 1 0 382.504 4.232 20 0 GIADRO COc1ccc(C)cc1NC(=O)[C@H]([NH2+]CC[C@@H]1CCCCO1)c1ccccc1 ZINC000182759047 822363480 /nfs/dbraw/zinc/36/34/80/822363480.db2.gz HGDBUOVQLDPQFE-SIKLNZKXSA-N 1 0 382.504 4.232 20 0 GIADRO CC1(C)C[C@H](C[NH2+]C2CCN(Cc3ccccc3Br)CC2)CCO1 ZINC000453441588 822363529 /nfs/dbraw/zinc/36/35/29/822363529.db2.gz WTSCEGNJVUMSFE-MRXNPFEDSA-N 1 0 395.385 4.208 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)[C@@H](C)c1nc2ccccc2s1 ZINC000178287060 822363653 /nfs/dbraw/zinc/36/36/53/822363653.db2.gz BRCYBRNTAYBJJF-HUUCEWRRSA-N 1 0 388.558 4.123 20 0 GIADRO CC(C)c1nccn1Cc1cccc(NC(=O)NCCC[NH+]2CCC(C)CC2)c1 ZINC000045122501 822364217 /nfs/dbraw/zinc/36/42/17/822364217.db2.gz AGMKGVFUGOTPQI-UHFFFAOYSA-N 1 0 397.567 4.298 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)N[C@@H]2CCSc3ccc(Cl)cc32)cc1 ZINC000045130212 822364597 /nfs/dbraw/zinc/36/45/97/822364597.db2.gz GKSQUKRDOZTYFD-GOSISDBHSA-N 1 0 389.952 4.438 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)NCCc1c[nH]c2ccccc12 ZINC000045132532 822364986 /nfs/dbraw/zinc/36/49/86/822364986.db2.gz CBQRTEYBDUYXOE-UHFFFAOYSA-N 1 0 378.520 4.052 20 0 GIADRO COc1cc([C@H](C)[NH2+]CCSCc2ccccc2F)cc(OC)c1OC ZINC000178319435 822366875 /nfs/dbraw/zinc/36/68/75/822366875.db2.gz DMXLPTLWFMETNX-AWEZNQCLSA-N 1 0 379.497 4.436 20 0 GIADRO CSC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccnc1C)c1ccc(C(F)(F)F)cc1 ZINC000453455942 822367054 /nfs/dbraw/zinc/36/70/54/822367054.db2.gz UTMPMMWBDLRYHF-GUYCJALGSA-N 1 0 397.466 4.430 20 0 GIADRO CCN(c1nnc([C@@H]2CC[C@H](C)O2)n1CC)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000453457378 822367586 /nfs/dbraw/zinc/36/75/86/822367586.db2.gz ATWUCXXAOANMLQ-ZSXPUABSSA-N 1 0 397.567 4.200 20 0 GIADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)c2ccc(OC)cc2)cc1 ZINC000178340638 822368916 /nfs/dbraw/zinc/36/89/16/822368916.db2.gz DGHZKIFNAWCVGN-SJORKVTESA-N 1 0 390.549 4.138 20 0 GIADRO C[NH2+]CCCC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000178340044 822368996 /nfs/dbraw/zinc/36/89/96/822368996.db2.gz YVPLTKWGPNDELF-UHFFFAOYSA-N 1 0 396.922 4.151 20 0 GIADRO Cc1cc([C@@H]2CCCN2C(=O)NCc2ccccc2C[NH+]2CCCCC2)no1 ZINC000045192480 822369530 /nfs/dbraw/zinc/36/95/30/822369530.db2.gz LECDWTXLYOERSZ-NRFANRHFSA-N 1 0 382.508 4.016 20 0 GIADRO O=C(c1oc2ccccc2c1CSc1ccccc1F)N1CCC[NH2+]CC1 ZINC000178362729 822371275 /nfs/dbraw/zinc/37/12/75/822371275.db2.gz ONLWGKMRWGDEBZ-UHFFFAOYSA-N 1 0 384.476 4.300 20 0 GIADRO CCO[C@H](C)c1nc(CN2CC[NH+](CCCc3cccc(F)c3)CC2)cs1 ZINC000182812937 822371604 /nfs/dbraw/zinc/37/16/04/822371604.db2.gz QYRRPNYTJXHMKQ-QGZVFWFLSA-N 1 0 391.556 4.130 20 0 GIADRO COc1cc(C[NH2+][C@@H](C)c2sc(-c3cccnc3)nc2C)cc(OC)c1OC ZINC000178378970 822373036 /nfs/dbraw/zinc/37/30/36/822373036.db2.gz MFNBLQWKBAJWHW-ZDUSSCGKSA-N 1 0 399.516 4.390 20 0 GIADRO COc1cc(C[NH2+][C@@H](C)c2ccc(F)cc2OC(F)F)cc(OC)c1OC ZINC000178379189 822373192 /nfs/dbraw/zinc/37/31/92/822373192.db2.gz XZLDMXMCUJCONG-NSHDSACASA-N 1 0 385.382 4.304 20 0 GIADRO CC(C)c1c(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cnn1-c1ccc(F)cc1 ZINC000045267566 822374742 /nfs/dbraw/zinc/37/47/42/822374742.db2.gz VTZXJBNUQCEPLU-UHFFFAOYSA-N 1 0 386.515 4.174 20 0 GIADRO Cc1nc(-c2ccc(CNC(=O)NCCCC[N@H+]3CCCC[C@@H]3C)o2)cs1 ZINC000045275130 822375579 /nfs/dbraw/zinc/37/55/79/822375579.db2.gz OLKYNMTZQWERQP-HNNXBMFYSA-N 1 0 390.553 4.165 20 0 GIADRO COc1ccc(C[NH2+][C@@H]2CCCOc3ccc(Br)cc32)cc1O ZINC000178407771 822376458 /nfs/dbraw/zinc/37/64/58/822376458.db2.gz DELGTFBMVSPFMM-OAHLLOKOSA-N 1 0 378.266 4.167 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CCc2ccc(Br)cc2)cc1NC(C)=O ZINC000178425342 822378043 /nfs/dbraw/zinc/37/80/43/822378043.db2.gz WVURCGSVGKYPEC-CYBMUJFWSA-N 1 0 391.309 4.309 20 0 GIADRO C[C@@H](NC(=O)NC(C)(C)c1ccc(F)c(F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182847704 822378067 /nfs/dbraw/zinc/37/80/67/822378067.db2.gz TURWMVOWFIAKCQ-CABCVRRESA-N 1 0 379.495 4.152 20 0 GIADRO O=C(Nc1ccc(SC(F)F)cc1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000178426410 822378075 /nfs/dbraw/zinc/37/80/75/822378075.db2.gz PURKQXGAAKARTI-SUMWQHHRSA-N 1 0 381.492 4.482 20 0 GIADRO CC[C@@H](C)c1nnc(N(C)C2CC[NH+](CCC(F)(F)F)CC2)n1CC(C)C ZINC000453497901 822378631 /nfs/dbraw/zinc/37/86/31/822378631.db2.gz WXGAQSZLISWBOH-OAHLLOKOSA-N 1 0 389.510 4.301 20 0 GIADRO O=C(N[C@H](c1cc2ccccc2o1)c1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000045322668 822378878 /nfs/dbraw/zinc/37/88/78/822378878.db2.gz XHAJFQIYKMXRMQ-QHCPKHFHSA-N 1 0 389.499 4.448 20 0 GIADRO CCCc1noc2nc(C3CC3)cc(C(=O)Nc3ccccc3C[NH2+]CC)c12 ZINC000178437476 822379166 /nfs/dbraw/zinc/37/91/66/822379166.db2.gz YTXAORLCKXSQLP-UHFFFAOYSA-N 1 0 378.476 4.415 20 0 GIADRO Cc1nc(C)c([C@@H](C)[NH2+][C@@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)s1 ZINC000178437142 822379213 /nfs/dbraw/zinc/37/92/13/822379213.db2.gz QLLQILZGMDKNMK-LSDHHAIUSA-N 1 0 386.565 4.428 20 0 GIADRO O=C(Nc1ccccc1OC1CCCC1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000178442748 822379448 /nfs/dbraw/zinc/37/94/48/822379448.db2.gz IJLFNUVHSHNVGC-LAUBAEHRSA-N 1 0 383.536 4.489 20 0 GIADRO COc1cc([C@@H](C)[NH2+]Cc2ccc(N3CCCC3=O)cc2)ccc1OC(F)F ZINC000178444724 822379598 /nfs/dbraw/zinc/37/95/98/822379598.db2.gz FJWFXTWWXUKKDV-CQSZACIVSA-N 1 0 390.430 4.274 20 0 GIADRO C[C@H](NC(=O)Nc1ccc(F)cc1Br)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182865733 822381843 /nfs/dbraw/zinc/38/18/43/822381843.db2.gz JXPGOJPVPJQVDD-STQMWFEESA-N 1 0 398.320 4.363 20 0 GIADRO Cc1c([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(C)cc2F)cnn1-c1ccc(F)cc1 ZINC000182868385 822382621 /nfs/dbraw/zinc/38/26/21/822382621.db2.gz BVHHZQQRCKUWDA-HUUCEWRRSA-N 1 0 398.457 4.445 20 0 GIADRO CC[C@@H]1c2ccsc2CCN1C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182869875 822382792 /nfs/dbraw/zinc/38/27/92/822382792.db2.gz GACOIUYSLWOFBT-GPMSIDNRSA-N 1 0 375.582 4.420 20 0 GIADRO COC(=O)c1ccc(C[NH2+][C@H](C)c2cnn(-c3ccc(F)cc3)c2C)cc1F ZINC000182869914 822382888 /nfs/dbraw/zinc/38/28/88/822382888.db2.gz GHAOMJYFEZWJIS-CYBMUJFWSA-N 1 0 385.414 4.096 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)Nc1c(F)cc(Cl)cc1F ZINC000182872081 822383358 /nfs/dbraw/zinc/38/33/58/822383358.db2.gz UDVREMIDWRDWNR-UHFFFAOYSA-N 1 0 380.826 4.051 20 0 GIADRO Cc1cc(Br)c(C[NH+]2CCC(C(=O)N[C@H](C)C(C)C)CC2)s1 ZINC000453557575 822384955 /nfs/dbraw/zinc/38/49/55/822384955.db2.gz BTKVVQXVZOPBIQ-CYBMUJFWSA-N 1 0 387.387 4.192 20 0 GIADRO Cc1cc(Br)c(C[NH2+][C@H]2CCN(C(=O)C3CCCCC3)C2)s1 ZINC000453561902 822384991 /nfs/dbraw/zinc/38/49/91/822384991.db2.gz ACRNRWLAPOOFKJ-AWEZNQCLSA-N 1 0 385.371 4.090 20 0 GIADRO C[C@@H]([NH2+]CCNC(=O)c1ccco1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000178493155 822385035 /nfs/dbraw/zinc/38/50/35/822385035.db2.gz IEGDCXJWWMEOSV-MRXNPFEDSA-N 1 0 382.435 4.078 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1)c1cccnc1 ZINC000182884583 822385664 /nfs/dbraw/zinc/38/56/64/822385664.db2.gz HFUKYCNMUCUERW-KRWDZBQOSA-N 1 0 389.503 4.214 20 0 GIADRO Cc1cc(Br)c(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)s1 ZINC000453568184 822385733 /nfs/dbraw/zinc/38/57/33/822385733.db2.gz WWLXVWNDXSJEQZ-ZDUSSCGKSA-N 1 0 391.338 4.241 20 0 GIADRO CCN(CC)C(=O)c1ccc(NC(=O)C[NH2+][C@@H](C)c2cc(C)cc(C)c2)cc1 ZINC000182886763 822386085 /nfs/dbraw/zinc/38/60/85/822386085.db2.gz GDAQMJLEXQIIMS-SFHVURJKSA-N 1 0 381.520 4.075 20 0 GIADRO C[C@@H](NC(=O)Nc1ccc(Br)cc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182887734 822386318 /nfs/dbraw/zinc/38/63/18/822386318.db2.gz SCTAUVUDTZGSNB-OLZOCXBDSA-N 1 0 398.320 4.363 20 0 GIADRO CC(C)(CO)[C@@H]([NH2+]Cc1cnc2ccc(Br)cn12)c1cccs1 ZINC000453574337 822386570 /nfs/dbraw/zinc/38/65/70/822386570.db2.gz ILCFIWJRDXXIGZ-INIZCTEOSA-N 1 0 394.338 4.008 20 0 GIADRO CC(C)[NH+]1CCN(C(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)CC1 ZINC000045430315 822387166 /nfs/dbraw/zinc/38/71/66/822387166.db2.gz PFPLEVUXKUCKIX-UHFFFAOYSA-N 1 0 375.472 4.175 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1ccc(C(F)(F)F)nc1Cl ZINC000178519762 822387432 /nfs/dbraw/zinc/38/74/32/822387432.db2.gz CNQLLUYYPJJGBA-UHFFFAOYSA-N 1 0 399.844 4.478 20 0 GIADRO [NH3+]C[C@H]1CCN(C(=O)c2c3ccccc3nc3c2CCC/C3=C/c2ccco2)C1 ZINC000178523645 822387605 /nfs/dbraw/zinc/38/76/05/822387605.db2.gz KATWRHURVAKGQB-UDLNKVAWSA-N 1 0 387.483 4.126 20 0 GIADRO CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000178523692 822387679 /nfs/dbraw/zinc/38/76/79/822387679.db2.gz MEAVOVQCHBTKFW-HSZRJFAPSA-N 1 0 397.563 4.100 20 0 GIADRO COc1ccc2cc([C@@H](C)[NH2+]CCCc3nnc4n3CCCCC4)ccc2c1 ZINC000178528791 822388365 /nfs/dbraw/zinc/38/83/65/822388365.db2.gz BGEHQNQDWLKWSN-QGZVFWFLSA-N 1 0 378.520 4.450 20 0 GIADRO CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+](Cc2cc3ccccc3o2)C(C)C)cc1 ZINC000178531496 822388450 /nfs/dbraw/zinc/38/84/50/822388450.db2.gz HJRVMAADILQMAO-FQEVSTJZSA-N 1 0 396.487 4.042 20 0 GIADRO O=C(c1ccc(C(F)(F)F)nc1Cl)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000178533507 822389044 /nfs/dbraw/zinc/38/90/44/822389044.db2.gz GLWQWOBGIXNMPD-UHFFFAOYSA-N 1 0 397.828 4.102 20 0 GIADRO Cc1cc(Br)c(C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)s1 ZINC000453588007 822389411 /nfs/dbraw/zinc/38/94/11/822389411.db2.gz UPKVANKMQJDKTA-LBPRGKRZSA-N 1 0 377.311 4.251 20 0 GIADRO C[C@H](NC(=O)Nc1ccccc1N1CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182902533 822389428 /nfs/dbraw/zinc/38/94/28/822389428.db2.gz BTWAYDTZTWOMQC-OALUTQOASA-N 1 0 384.568 4.451 20 0 GIADRO COc1ccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000178543181 822390106 /nfs/dbraw/zinc/39/01/06/822390106.db2.gz LLLNXJXRMNFSEO-UGKGYDQZSA-N 1 0 379.504 4.214 20 0 GIADRO Cc1ccc([C@H](CNC(=O)c2ccc(C(F)(F)F)nc2Cl)[NH+](C)C)cc1 ZINC000178549159 822390791 /nfs/dbraw/zinc/39/07/91/822390791.db2.gz CKRHKDNICQMJEL-AWEZNQCLSA-N 1 0 385.817 4.095 20 0 GIADRO CC(C)[C@H](NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc(Cl)cc1F ZINC000182910917 822391071 /nfs/dbraw/zinc/39/10/71/822391071.db2.gz RNPQNTDOXUNEAW-KXBFYZLASA-N 1 0 381.923 4.304 20 0 GIADRO CC/C(=C\C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1)c1ccc(OC)cc1 ZINC000178559411 822391820 /nfs/dbraw/zinc/39/18/20/822391820.db2.gz VKGAIYOMQZCLBG-WUKNDPDISA-N 1 0 395.503 4.018 20 0 GIADRO COc1ccccc1CN(C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C1CC1 ZINC000182924913 822393785 /nfs/dbraw/zinc/39/37/85/822393785.db2.gz GDWWDPQDVFCMDI-MSOLQXFVSA-N 1 0 385.552 4.022 20 0 GIADRO COc1ccccc1[C@@H](NC(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1ccco1 ZINC000178584071 822394268 /nfs/dbraw/zinc/39/42/68/822394268.db2.gz CBICKFONDYMEHC-JOCHJYFZSA-N 1 0 397.519 4.038 20 0 GIADRO COc1cccc(C2CCN(C(=O)N[C@@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)CC2)c1 ZINC000182927686 822394455 /nfs/dbraw/zinc/39/44/55/822394455.db2.gz NYKSIDAEUYBWSF-GHTZIAJQSA-N 1 0 399.579 4.237 20 0 GIADRO Cc1cccc([C@@H]2CCCN2C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000178587852 822394482 /nfs/dbraw/zinc/39/44/82/822394482.db2.gz ZMXRINCCKHXVDC-QHCPKHFHSA-N 1 0 392.547 4.149 20 0 GIADRO COc1cc(F)c([C@H](C)[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)cc1OC ZINC000178600712 822395364 /nfs/dbraw/zinc/39/53/64/822395364.db2.gz YVIDMKGPAQHDNH-NFOMZHRRSA-N 1 0 396.503 4.329 20 0 GIADRO COc1ccc(OC(F)F)c(NC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000182933625 822395482 /nfs/dbraw/zinc/39/54/82/822395482.db2.gz WHNSNYFYWIWGHO-KGLIPLIRSA-N 1 0 397.466 4.071 20 0 GIADRO C[C@H]1CC[C@@H](C[NH2+]Cc2cc(Br)ccc2OCc2ccccn2)O1 ZINC000453633709 822396120 /nfs/dbraw/zinc/39/61/20/822396120.db2.gz RTJKZCSOCHYQFD-KSSFIOAISA-N 1 0 391.309 4.080 20 0 GIADRO COc1cc(NC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(OC)cc1Cl ZINC000182949293 822398305 /nfs/dbraw/zinc/39/83/05/822398305.db2.gz OUQHFXQAVWLTQM-UONOGXRCSA-N 1 0 395.931 4.132 20 0 GIADRO Cc1cc(C)cc([C@H](C)[NH2+]CC(=O)N[C@@H](c2nccs2)c2ccccc2)c1 ZINC000182949900 822398537 /nfs/dbraw/zinc/39/85/37/822398537.db2.gz FJOASZLRHYEXDB-LAUBAEHRSA-N 1 0 379.529 4.316 20 0 GIADRO Cc1nc(C)c([C@H](C)[NH2+]C[C@@H](O)COc2cccc(Cl)c2Cl)s1 ZINC000178640673 822398665 /nfs/dbraw/zinc/39/86/65/822398665.db2.gz PZBIYIVWOVOMTB-JOYOIKCWSA-N 1 0 375.321 4.157 20 0 GIADRO Cc1ccc(OCCCC(=O)Nc2ccc(C[NH2+][C@H]3CCO[C@H]3C)cc2)cc1 ZINC000178676740 822402005 /nfs/dbraw/zinc/40/20/05/822402005.db2.gz UGJKPEIKKUVWNX-AVRDEDQJSA-N 1 0 382.504 4.060 20 0 GIADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)C[C@@H]2CCCc3ccccc32)CC1 ZINC000178679223 822402227 /nfs/dbraw/zinc/40/22/27/822402227.db2.gz KSEUVYNVHXTPHH-RXVVDRJESA-N 1 0 377.532 4.233 20 0 GIADRO COc1ccc(-c2nn(-c3ccccc3)cc2CN2CCC([NH+](C)C)CC2)cc1 ZINC000178708132 822404466 /nfs/dbraw/zinc/40/44/66/822404466.db2.gz OMYRLTIEHJUZOR-UHFFFAOYSA-N 1 0 390.531 4.074 20 0 GIADRO Cc1ccc(Cl)c(O[C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000045676564 822404570 /nfs/dbraw/zinc/40/45/70/822404570.db2.gz LPWGPRLCYYABJL-QGZVFWFLSA-N 1 0 386.923 4.197 20 0 GIADRO Cc1cccc(C)c1NC(=O)CN1CC[NH+]([C@H](C)CCc2cccc(F)c2)CC1 ZINC000182984774 822405009 /nfs/dbraw/zinc/40/50/09/822405009.db2.gz ZJLQFCFUVJRXCZ-HXUWFJFHSA-N 1 0 397.538 4.020 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)Nc2ccccc2-n2cccn2)CC1 ZINC000182987837 822406071 /nfs/dbraw/zinc/40/60/71/822406071.db2.gz JXJCZLGMNCELER-UHFFFAOYSA-N 1 0 383.540 4.238 20 0 GIADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N(C)[C@@H](C)c2nc3ccccc3s2)C1 ZINC000178733762 822406141 /nfs/dbraw/zinc/40/61/41/822406141.db2.gz CJMBCDXMJVPCNO-DLBZAZTESA-N 1 0 388.581 4.367 20 0 GIADRO COc1cc([C@@H](C)[NH2+]Cc2ccc(-n3cncn3)cc2)ccc1SC(F)F ZINC000178743691 822406758 /nfs/dbraw/zinc/40/67/58/822406758.db2.gz SXVVRNQXNPIAFJ-CYBMUJFWSA-N 1 0 390.459 4.441 20 0 GIADRO O=C(c1ccccc1)C1CC[NH+](C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000178746426 822407008 /nfs/dbraw/zinc/40/70/08/822407008.db2.gz MUCUBCCTAYZMCQ-FQEVSTJZSA-N 1 0 391.433 4.204 20 0 GIADRO CCOc1cc(NC(=O)N2CCC(CCC[NH+](CC)CC)CC2)ccc1OC ZINC000183002127 822408908 /nfs/dbraw/zinc/40/89/08/822408908.db2.gz FDOWTYHYPZNVNQ-UHFFFAOYSA-N 1 0 391.556 4.460 20 0 GIADRO C[NH+](C)[C@H](CNc1nc(-c2ccncc2)nc2ccccc21)c1ccsc1 ZINC000045733276 822409285 /nfs/dbraw/zinc/40/92/85/822409285.db2.gz NBEKVECICLBZCL-LJQANCHMSA-N 1 0 375.501 4.468 20 0 GIADRO COc1ccc(CC[N@H+](CCc2cccnc2)Cc2ccsc2)cc1OC ZINC000178789022 822409806 /nfs/dbraw/zinc/40/98/06/822409806.db2.gz PPWGWIHDQOZJTN-UHFFFAOYSA-N 1 0 382.529 4.448 20 0 GIADRO COc1cccc2cc([C@@H](C)Nc3cccc(C[N@@H+]4CCC[C@@H]4C(N)=O)c3)oc21 ZINC000183007480 822410327 /nfs/dbraw/zinc/41/03/27/822410327.db2.gz WKKHVLVEWACXEZ-DNVCBOLYSA-N 1 0 393.487 4.064 20 0 GIADRO C[C@H]([NH3+])C1CCN(C(=O)c2cc(Cl)ccc2Oc2ccc(F)cc2)CC1 ZINC000178805590 822412139 /nfs/dbraw/zinc/41/21/39/822412139.db2.gz DDCYDKDPRCPGGU-ZDUSSCGKSA-N 1 0 376.859 4.471 20 0 GIADRO C[C@H]([NH3+])C1CCN(C(=O)c2ccccc2Nc2ccc(OC(F)F)cc2)CC1 ZINC000178812071 822412758 /nfs/dbraw/zinc/41/27/58/822412758.db2.gz GVEYLFBDWFXTGE-AWEZNQCLSA-N 1 0 389.446 4.231 20 0 GIADRO CSc1ccccc1C(=O)Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000178816716 822413247 /nfs/dbraw/zinc/41/32/47/822413247.db2.gz WSNQSPJKCFINOG-GOSISDBHSA-N 1 0 392.528 4.304 20 0 GIADRO Cc1ccc(-n2cc(C(=O)N3CCC([C@@H](C)[NH3+])CC3)c(-c3ccccc3)n2)cc1 ZINC000178819415 822413719 /nfs/dbraw/zinc/41/37/19/822413719.db2.gz FBFGMXPUCVQXGR-GOSISDBHSA-N 1 0 388.515 4.047 20 0 GIADRO CCOc1ccccc1NC(=O)[C@@H](C)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000045806858 822415130 /nfs/dbraw/zinc/41/51/30/822415130.db2.gz SBHKGJBYXKPPOC-LJQANCHMSA-N 1 0 387.568 4.000 20 0 GIADRO CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1)c1ccccc1 ZINC000045812580 822415431 /nfs/dbraw/zinc/41/54/31/822415431.db2.gz LLAFTBHRSJLOGO-DLBZAZTESA-N 1 0 379.504 4.127 20 0 GIADRO NC(=O)COc1cccc(C[NH2+][C@H]2CCCc3cc(SC(F)F)ccc32)c1 ZINC000183042705 822416521 /nfs/dbraw/zinc/41/65/21/822416521.db2.gz XPBGNENFFHTWJE-SFHVURJKSA-N 1 0 392.471 4.033 20 0 GIADRO C[C@@H]([NH3+])C1CCN(C(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)CC1 ZINC000178856891 822416837 /nfs/dbraw/zinc/41/68/37/822416837.db2.gz OMYSCKFOESANTR-CYBMUJFWSA-N 1 0 393.409 4.092 20 0 GIADRO COc1ccc(/C=C(\C)C(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)cc1F ZINC000183047530 822417291 /nfs/dbraw/zinc/41/72/91/822417291.db2.gz XXRIYQLCWKXLJA-OBGWFSINSA-N 1 0 396.506 4.361 20 0 GIADRO Cc1csc(CNC(=O)C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)c1 ZINC000453894569 822418837 /nfs/dbraw/zinc/41/88/37/822418837.db2.gz JRMHKSLGOAFBET-UHFFFAOYSA-N 1 0 399.560 4.076 20 0 GIADRO Cc1nc2cc(F)cc(C(=O)N3CCC(CCC[NH+]4CCCC4)CC3)c2nc1C ZINC000178888903 822419453 /nfs/dbraw/zinc/41/94/53/822419453.db2.gz AOSQXBMSRCFLLH-UHFFFAOYSA-N 1 0 398.526 4.114 20 0 GIADRO C[C@@H](c1ccc(F)cc1)N(C)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000178888159 822419483 /nfs/dbraw/zinc/41/94/83/822419483.db2.gz SLHHQHBORPBDLZ-IRXDYDNUSA-N 1 0 384.499 4.149 20 0 GIADRO Cc1cc2ccccc2c(NC(=O)C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)c1 ZINC000453932260 822419667 /nfs/dbraw/zinc/41/96/67/822419667.db2.gz AHABLODQIPWEQZ-QFIPXVFZSA-N 1 0 387.483 4.274 20 0 GIADRO CC(=O)N(c1nc(C[NH2+]CCCc2ccccn2)cs1)c1ccc(C)cc1 ZINC000178935919 822422974 /nfs/dbraw/zinc/42/29/74/822422974.db2.gz OTKCEQTWCUALCG-UHFFFAOYSA-N 1 0 380.517 4.254 20 0 GIADRO CCN(CC)C(=O)[C@H](c1ccccc1)[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000045914069 822423286 /nfs/dbraw/zinc/42/32/86/822423286.db2.gz VHHSKFZIQUAEEL-XZOQPEGZSA-N 1 0 380.532 4.042 20 0 GIADRO C[NH+](C)C1(CNC(=O)c2ccccc2SCc2cscn2)CCCC1 ZINC000045913677 822423355 /nfs/dbraw/zinc/42/33/55/822423355.db2.gz LRVNNFIRVIDECO-UHFFFAOYSA-N 1 0 375.563 4.040 20 0 GIADRO CC[NH+](CC)Cc1cc([C@H](C)N[C@H]2CCCn3nc(C(C)C)nc32)ccc1OC ZINC000183103079 822424550 /nfs/dbraw/zinc/42/45/50/822424550.db2.gz ZCBGWSQFPYVHLD-PXNSSMCTSA-N 1 0 399.583 4.438 20 0 GIADRO C[NH2+]C[C@H]1CCN(C(=O)CS[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000178965161 822425003 /nfs/dbraw/zinc/42/50/03/822425003.db2.gz GBDNVXYJNKPINI-IERDGZPVSA-N 1 0 388.964 4.231 20 0 GIADRO C/C(=C\c1ccccc1Cl)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000178977771 822425732 /nfs/dbraw/zinc/42/57/32/822425732.db2.gz BAZLMIHBGZKQEM-SAPNQHFASA-N 1 0 398.934 4.016 20 0 GIADRO C[NH2+]C[C@@H]1CCN(C(=O)c2c3ccccc3nc3c2C[C@H](C(C)(C)C)CC3)C1 ZINC000178989618 822426918 /nfs/dbraw/zinc/42/69/18/822426918.db2.gz AZKRRZMLTVZNTG-DLBZAZTESA-N 1 0 379.548 4.067 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Nc1nnc(C2CC2)s1 ZINC000045960482 822427066 /nfs/dbraw/zinc/42/70/66/822427066.db2.gz GJQNGTAFURECSD-AWEZNQCLSA-N 1 0 385.537 4.112 20 0 GIADRO C[C@@H](CCNC(=O)c1cccc(NC(=O)OC(C)(C)C)c1)[NH+]1CCCCC1 ZINC000183120775 822427387 /nfs/dbraw/zinc/42/73/87/822427387.db2.gz MYKJAFDFWTZFNQ-INIZCTEOSA-N 1 0 375.513 4.028 20 0 GIADRO Cc1cccc([C@@H](C)NC(=O)C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000454084484 822427430 /nfs/dbraw/zinc/42/74/30/822427430.db2.gz IIMAABYLOGOFOT-RTBURBONSA-N 1 0 393.531 4.043 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)Cc2cccc(F)c2)cc1 ZINC000183136457 822429055 /nfs/dbraw/zinc/42/90/55/822429055.db2.gz DNOKEXODFQVWNI-SJORKVTESA-N 1 0 394.494 4.018 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000045979924 822429166 /nfs/dbraw/zinc/42/91/66/822429166.db2.gz OTWIQOBNIKHZIS-KRWDZBQOSA-N 1 0 394.519 4.199 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)c1 ZINC000045980287 822429338 /nfs/dbraw/zinc/42/93/38/822429338.db2.gz YCCGVZQBPGNAGD-KRWDZBQOSA-N 1 0 394.519 4.341 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(C)cc2C)cc1 ZINC000183140308 822429757 /nfs/dbraw/zinc/42/97/57/822429757.db2.gz XIHVCMQRIWSBSY-QZTJIDSGSA-N 1 0 376.504 4.475 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)Nc2ccc3c(c2)OCCCO3)c1 ZINC000045986719 822430722 /nfs/dbraw/zinc/43/07/22/822430722.db2.gz KGQLBEZGCVHDRR-UHFFFAOYSA-N 1 0 383.492 4.011 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)Nc2cc(OC)c(OC)cc2C)c1 ZINC000045987554 822430783 /nfs/dbraw/zinc/43/07/83/822430783.db2.gz NCZBYVQTDFULGF-UHFFFAOYSA-N 1 0 385.508 4.176 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000183145535 822430972 /nfs/dbraw/zinc/43/09/72/822430972.db2.gz NASRTQDREJRUMZ-UONOGXRCSA-N 1 0 384.430 4.137 20 0 GIADRO CSc1ccc(OCC[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)cc1 ZINC000183146210 822431030 /nfs/dbraw/zinc/43/10/30/822431030.db2.gz FNKCLFIOFLXFBE-UHFFFAOYSA-N 1 0 385.455 4.340 20 0 GIADRO C[NH2+]C[C@H]1CCN(C(=O)c2cc3sc(Nc4ccccc4C)nc3s2)C1 ZINC000179026564 822431190 /nfs/dbraw/zinc/43/11/90/822431190.db2.gz JDKHRYYAYYQNMO-CYBMUJFWSA-N 1 0 386.546 4.091 20 0 GIADRO CCOc1ccc(OCC[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)cc1 ZINC000183148638 822431393 /nfs/dbraw/zinc/43/13/93/822431393.db2.gz LUBHCAMSWGHNBA-UHFFFAOYSA-N 1 0 383.414 4.017 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cc2C)cc1 ZINC000183151498 822431960 /nfs/dbraw/zinc/43/19/60/822431960.db2.gz KNAYQCZVQGNNSL-OAHLLOKOSA-N 1 0 382.895 4.432 20 0 GIADRO COc1cc(OC)cc(Oc2ccc(C[NH2+]Cc3cccc(N(C)C)n3)cc2)c1 ZINC000179034746 822432023 /nfs/dbraw/zinc/43/20/23/822432023.db2.gz KWSUYYIURHROIA-UHFFFAOYSA-N 1 0 393.487 4.247 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccc(Cl)cc1)c1ccccc1-n1cccn1 ZINC000183156490 822432896 /nfs/dbraw/zinc/43/28/96/822432896.db2.gz HXRLOVBDIRXAAZ-JKSUJKDBSA-N 1 0 382.895 4.054 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N[C@H]1CCCC[C@H]1CC(F)(F)F ZINC000454143806 822433056 /nfs/dbraw/zinc/43/30/56/822433056.db2.gz GBQCKWPUTMCNGV-HRCADAONSA-N 1 0 387.446 4.227 20 0 GIADRO Cc1cc(C)n2c(C[NH2+]CCc3csc(-c4ccc(Cl)cc4)n3)cnc2n1 ZINC000179048633 822433421 /nfs/dbraw/zinc/43/34/21/822433421.db2.gz JSPVXHLUYFQCGM-UHFFFAOYSA-N 1 0 397.935 4.455 20 0 GIADRO O=C1C[C@H](C[NH2+]Cc2csc(-c3ccc(F)cc3)n2)CN1Cc1ccccc1 ZINC000179052073 822433723 /nfs/dbraw/zinc/43/37/23/822433723.db2.gz FQXFOCKQMWNYJJ-QGZVFWFLSA-N 1 0 395.503 4.088 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)NCc2cccc(OCc3ccccn3)c2)c1 ZINC000046007963 822433985 /nfs/dbraw/zinc/43/39/85/822433985.db2.gz OLVUJOZSGBAQIM-UHFFFAOYSA-N 1 0 390.487 4.044 20 0 GIADRO O=C1C[C@@H](C[NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)CN1Cc1ccccc1 ZINC000179055562 822434156 /nfs/dbraw/zinc/43/41/56/822434156.db2.gz YSPPSFPOWFYBNC-INIZCTEOSA-N 1 0 396.840 4.497 20 0 GIADRO CSc1ccc([C@@H](CNC(=O)Nc2ccc(F)c(F)c2F)[NH+](C)C)cc1 ZINC000454168389 822435171 /nfs/dbraw/zinc/43/51/71/822435171.db2.gz OJDZEDNACAVOGH-OAHLLOKOSA-N 1 0 383.439 4.250 20 0 GIADRO CSc1ccc([C@H](CNC(=O)Nc2ccc(F)c(F)c2F)[NH+](C)C)cc1 ZINC000454168385 822435204 /nfs/dbraw/zinc/43/52/04/822435204.db2.gz OJDZEDNACAVOGH-HNNXBMFYSA-N 1 0 383.439 4.250 20 0 GIADRO C[C@H]1CN(C(=O)c2ccc(C[NH2+]Cc3ccc(F)c(Cl)c3)cc2)C[C@H](C)O1 ZINC000179071884 822435521 /nfs/dbraw/zinc/43/55/21/822435521.db2.gz DYOCGSVGJOGOOA-GJZGRUSLSA-N 1 0 390.886 4.018 20 0 GIADRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2coc3ccccc23)cc1 ZINC000179079421 822436132 /nfs/dbraw/zinc/43/61/32/822436132.db2.gz TXMPNRYTQHCATA-MRXNPFEDSA-N 1 0 386.517 4.314 20 0 GIADRO CCOc1ccc(-c2nc(C[N@H+](C)[C@@H](CO)C(C)(C)C)cs2)cc1OC ZINC000179081594 822436393 /nfs/dbraw/zinc/43/63/93/822436393.db2.gz WXLULPBQYHSHMK-SFHVURJKSA-N 1 0 378.538 4.056 20 0 GIADRO CC(C)OC(=O)c1ccc(C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)cc1 ZINC000183182101 822437011 /nfs/dbraw/zinc/43/70/11/822437011.db2.gz NCDGPUZWIHMJPR-UHFFFAOYSA-N 1 0 395.425 4.304 20 0 GIADRO C[C@@H]([NH2+]Cc1cnc(-c2ccccc2)[nH]1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000179090331 822437056 /nfs/dbraw/zinc/43/70/56/822437056.db2.gz GTWYQZCWFRZOSK-JPYJTQIMSA-N 1 0 391.515 4.492 20 0 GIADRO COCc1ccccc1NC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000046032568 822437135 /nfs/dbraw/zinc/43/71/35/822437135.db2.gz MLPJYDUFFWWCNR-UHFFFAOYSA-N 1 0 381.520 4.387 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1cccc(N2CCCC2)c1)c1ccc(Cl)nc1 ZINC000179118291 822440134 /nfs/dbraw/zinc/44/01/34/822440134.db2.gz NNQIWZDRNIWQSB-JKSUJKDBSA-N 1 0 386.927 4.403 20 0 GIADRO CCC[C@@H]([NH2+][C@@H](C)c1ccc(Cl)nc1)C(=O)N1CCc2sccc2C1 ZINC000179119031 822440195 /nfs/dbraw/zinc/44/01/95/822440195.db2.gz XAUMMLRYQPRTSO-XJKSGUPXSA-N 1 0 377.941 4.201 20 0 GIADRO CCOc1ccc(-c2nc(C[N@H+](C[C@@H]3CCOC3)C3CC3)cs2)cc1OC ZINC000046091804 822440542 /nfs/dbraw/zinc/44/05/42/822440542.db2.gz GMFJIYVDBVWZPW-HNNXBMFYSA-N 1 0 388.533 4.218 20 0 GIADRO Cc1nn(-c2ccccc2)cc1C[NH2+]C1CCC2(CC1)C(=O)Nc1ccccc12 ZINC000183201845 822440577 /nfs/dbraw/zinc/44/05/77/822440577.db2.gz ASQBQHPDKHCWEE-UHFFFAOYSA-N 1 0 386.499 4.103 20 0 GIADRO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000046088057 822440688 /nfs/dbraw/zinc/44/06/88/822440688.db2.gz SNDQSHLZOJWDGW-DOTOQJQBSA-N 1 0 382.323 4.087 20 0 GIADRO CC(C)Cc1ccc(C(=O)C2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)cc1 ZINC000046087381 822440691 /nfs/dbraw/zinc/44/06/91/822440691.db2.gz MWDBTJGMQIGANE-UHFFFAOYSA-N 1 0 378.516 4.079 20 0 GIADRO O[C@@H](COc1ccc(Br)cc1)C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000046088055 822440717 /nfs/dbraw/zinc/44/07/17/822440717.db2.gz SNDQSHLZOJWDGW-NVXWUHKLSA-N 1 0 382.323 4.087 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)N(C)[C@@H](C)c1cccs1 ZINC000046105429 822441307 /nfs/dbraw/zinc/44/13/07/822441307.db2.gz FLCKUQVVDUIGSS-KRWDZBQOSA-N 1 0 389.565 4.371 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)N1CC[C@@H]2C[C@H](O)CC[C@H]2C1)C1CCCCC1 ZINC000454233243 822441753 /nfs/dbraw/zinc/44/17/53/822441753.db2.gz WWLKPZHZXHMOBD-XQBPLPMBSA-N 1 0 399.579 4.466 20 0 GIADRO C[C@@H]([NH2+]CC(C)(C)C(N)=O)c1ccc(-c2ccccc2Br)s1 ZINC000183209259 822441849 /nfs/dbraw/zinc/44/18/49/822441849.db2.gz VIKJAIHGMULLFT-LLVKDONJSA-N 1 0 381.339 4.340 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cccc(Cn4ccnc4)c3)cc2)C1 ZINC000046155925 822445413 /nfs/dbraw/zinc/44/54/13/822445413.db2.gz BQVPWKAUVPRRTH-LJQANCHMSA-N 1 0 388.515 4.416 20 0 GIADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)Nc3cc(Cl)ccc3N3CCCCC3)C2)C1 ZINC000454268808 822446974 /nfs/dbraw/zinc/44/69/74/822446974.db2.gz PHTRDXQSXVKNDN-OAQYLSRUSA-N 1 0 390.959 4.280 20 0 GIADRO CC1CC[NH+](C2CCC(NC(=O)N3CCc4[nH]c5ccccc5c4C3)CC2)CC1 ZINC000179181520 822447790 /nfs/dbraw/zinc/44/77/90/822447790.db2.gz GVPGMMFEESYUDL-UHFFFAOYSA-N 1 0 394.563 4.279 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)N3CC(C4CCCCC4)C3)c(C)c2)CC1 ZINC000454279747 822449697 /nfs/dbraw/zinc/44/96/97/822449697.db2.gz YUXUHIPWIXWYPU-UHFFFAOYSA-N 1 0 384.568 4.181 20 0 GIADRO Cn1ccnc1[C@@H]([NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)C1CC1 ZINC000183278469 822452833 /nfs/dbraw/zinc/45/28/33/822452833.db2.gz BTATYBNHDNNIJM-IBGZPJMESA-N 1 0 393.362 4.432 20 0 GIADRO COc1cccc([C@H]2[C@@H](NC(=O)c3c(F)cccc3Cl)CC[N@@H+]2C2CC2)c1 ZINC000183279270 822452872 /nfs/dbraw/zinc/45/28/72/822452872.db2.gz HXSUIESXLRIZNR-ICSRJNTNSA-N 1 0 388.870 4.196 20 0 GIADRO COc1cc(OC)cc(N2CC[C@@H](C[NH2+][C@H](C)c3cccc(F)c3F)C2)c1 ZINC000183281278 822452965 /nfs/dbraw/zinc/45/29/65/822452965.db2.gz GCLUJZNDUPMINO-CABCVRRESA-N 1 0 376.447 4.159 20 0 GIADRO O=C(N[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1)NC1CC[NH+](CC2CC2)CC1 ZINC000454316373 822457096 /nfs/dbraw/zinc/45/70/96/822457096.db2.gz ZNROKQGPAOOKKM-YLJYHZDGSA-N 1 0 375.944 4.150 20 0 GIADRO CCO[C@@H]1CCN(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)C[C@@H]1C ZINC000454323393 822458083 /nfs/dbraw/zinc/45/80/83/822458083.db2.gz UUGKBXQLEVEMLJ-NNMXDRDESA-N 1 0 387.568 4.018 20 0 GIADRO CCCc1ncc(CNC(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)o1 ZINC000454327789 822458509 /nfs/dbraw/zinc/45/85/09/822458509.db2.gz YIABIWIBVLAIJY-KRWDZBQOSA-N 1 0 384.524 4.001 20 0 GIADRO COc1ccc(C[C@H](C)C[N@H+](C)[C@@H](C)C(=O)Nc2c(F)cccc2F)cc1 ZINC000179263337 822458586 /nfs/dbraw/zinc/45/85/86/822458586.db2.gz QOQTZSMOQLAZFW-GJZGRUSLSA-N 1 0 376.447 4.111 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)N[C@@](C)(CO)c2cc(Cl)cc(Cl)c2)c1 ZINC000454344637 822460202 /nfs/dbraw/zinc/46/02/02/822460202.db2.gz OWRFKJBHAGISST-IBGZPJMESA-N 1 0 396.318 4.084 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3ccc(Cl)cc3)C2)cc1NC(C)=O ZINC000183334074 822460310 /nfs/dbraw/zinc/46/03/10/822460310.db2.gz NBWDKNLTWHCLDJ-KBXCAEBGSA-N 1 0 387.911 4.237 20 0 GIADRO O=C(CN1CCC([NH2+][C@@H](c2ccco2)c2ccccc2)CC1)Nc1ccccc1 ZINC000183334732 822460478 /nfs/dbraw/zinc/46/04/78/822460478.db2.gz BLVXMXZPTSYXMN-XMMPIXPASA-N 1 0 389.499 4.062 20 0 GIADRO C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@H]1CCCOCC1 ZINC000183339423 822460846 /nfs/dbraw/zinc/46/08/46/822460846.db2.gz TVKDFKMPTKGUQD-RYUDHWBXSA-N 1 0 378.822 4.235 20 0 GIADRO C[N@@H+]1CC[C@@H](CNC(=O)NCc2ccccc2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179289593 822461435 /nfs/dbraw/zinc/46/14/35/822461435.db2.gz URVLKGANHHVNOD-KXBFYZLASA-N 1 0 393.865 4.110 20 0 GIADRO CN(Cc1ccc(Cl)c(F)c1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000179292095 822461766 /nfs/dbraw/zinc/46/17/66/822461766.db2.gz XECSGMTXADIJRD-UHFFFAOYSA-N 1 0 389.902 4.417 20 0 GIADRO CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@@H]1CCCOC1 ZINC000179293291 822461848 /nfs/dbraw/zinc/46/18/48/822461848.db2.gz KJKPDMAPEITXJE-HNNXBMFYSA-N 1 0 392.341 4.274 20 0 GIADRO CC1(C)CN(C(=O)NCc2ccoc2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000454365008 822462558 /nfs/dbraw/zinc/46/25/58/822462558.db2.gz ABACYTCAABJGML-OAQYLSRUSA-N 1 0 381.520 4.112 20 0 GIADRO C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000454365982 822462733 /nfs/dbraw/zinc/46/27/33/822462733.db2.gz DGUIZDCSOHXNIP-APWZRJJASA-N 1 0 397.485 4.271 20 0 GIADRO COc1ccccc1COC[C@H](O)C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000046344452 822463801 /nfs/dbraw/zinc/46/38/01/822463801.db2.gz NWBRRMDLLFPGQX-IEBWSBKVSA-N 1 0 398.528 4.020 20 0 GIADRO O[C@@H](COCc1ccccc1F)C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000046344432 822463853 /nfs/dbraw/zinc/46/38/53/822463853.db2.gz FVCWKWVWOXAFBX-VQIMIIECSA-N 1 0 386.492 4.150 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1c(F)cc(F)cc1Br)[C@@H](C)c1ccccc1 ZINC000183368751 822464515 /nfs/dbraw/zinc/46/45/15/822464515.db2.gz AFYCLUYHIZBFQT-VXGBXAGGSA-N 1 0 397.263 4.448 20 0 GIADRO COC[C@@]1(C)CCN(C(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC000454376505 822465052 /nfs/dbraw/zinc/46/50/52/822465052.db2.gz VIBPHZIHCDRYHC-QHCPKHFHSA-N 1 0 387.568 4.019 20 0 GIADRO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)[NH2+][C@H](C)c1cccnc1 ZINC000183384545 822466837 /nfs/dbraw/zinc/46/68/37/822466837.db2.gz MDEVKLVYTMPWAG-TZMCWYRMSA-N 1 0 389.521 4.005 20 0 GIADRO C[NH+](C)CCCC1CCN(C(=O)c2csc(-c3c(F)cccc3F)n2)CC1 ZINC000179346204 822468749 /nfs/dbraw/zinc/46/87/49/822468749.db2.gz KURGTTHILKVSHM-UHFFFAOYSA-N 1 0 393.503 4.282 20 0 GIADRO NC(=O)c1ccc(-c2nc(C[NH2+][C@H](Cc3ccccc3)C3CC3)cs2)cc1 ZINC000183407741 822469576 /nfs/dbraw/zinc/46/95/76/822469576.db2.gz IQCZXFPUQZCIDL-HXUWFJFHSA-N 1 0 377.513 4.020 20 0 GIADRO C[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000454404953 822470205 /nfs/dbraw/zinc/47/02/05/822470205.db2.gz KTAGYJNMCBXMDB-GOEBONIOSA-N 1 0 375.479 4.013 20 0 GIADRO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000183411147 822470272 /nfs/dbraw/zinc/47/02/72/822470272.db2.gz PURSVUKJHNDQAZ-UHFFFAOYSA-N 1 0 395.425 4.083 20 0 GIADRO Cc1ccc2c(CC(=O)Nc3ccc(N4CCC[N@@H+](C)CC4)cc3)coc2c1 ZINC000046403667 822470317 /nfs/dbraw/zinc/47/03/17/822470317.db2.gz KRFVNVFUTKKJDC-UHFFFAOYSA-N 1 0 377.488 4.064 20 0 GIADRO CCCOc1cccc(NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000454406016 822470366 /nfs/dbraw/zinc/47/03/66/822470366.db2.gz MHYOUGOTRKNYCC-UHFFFAOYSA-N 1 0 387.446 4.356 20 0 GIADRO C[N@@H+]1CCCN(c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)CC1 ZINC000046403759 822470431 /nfs/dbraw/zinc/47/04/31/822470431.db2.gz KAZLUCNJWPYMEF-UHFFFAOYSA-N 1 0 377.410 4.100 20 0 GIADRO CC(C)c1cc(C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)nn1C(C)(C)C ZINC000046404538 822470666 /nfs/dbraw/zinc/47/06/66/822470666.db2.gz OWMIPPWPGWWRHQ-UHFFFAOYSA-N 1 0 397.567 4.156 20 0 GIADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C3(c4ccc(F)cc4)CCC3)cc2)CC1 ZINC000046404065 822470671 /nfs/dbraw/zinc/47/06/71/822470671.db2.gz TWFNJQHJYGEMDW-UHFFFAOYSA-N 1 0 381.495 4.028 20 0 GIADRO Fc1cccc([C@@H](C[NH2+][C@@H](c2ccco2)c2ccccc2)N2CCOCC2)c1 ZINC000183424308 822472942 /nfs/dbraw/zinc/47/29/42/822472942.db2.gz UPJGNLRNWRHSKB-FYYLOGMGSA-N 1 0 380.463 4.171 20 0 GIADRO COc1c(C)ccc(NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)c1C ZINC000454426210 822473769 /nfs/dbraw/zinc/47/37/69/822473769.db2.gz ASYJHKZPARJDFK-UHFFFAOYSA-N 1 0 387.446 4.193 20 0 GIADRO CCOCc1cccc(NC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000179377844 822473799 /nfs/dbraw/zinc/47/37/99/822473799.db2.gz KYJJYFDXVSMIAY-UHFFFAOYSA-N 1 0 396.535 4.389 20 0 GIADRO C[N@H+](CCCCNC(=O)N[C@@H]1CCOc2c(-c3ccccc3)cccc21)C1CC1 ZINC000454427517 822473910 /nfs/dbraw/zinc/47/39/10/822473910.db2.gz LTZYVUUVOINTMY-JOCHJYFZSA-N 1 0 393.531 4.351 20 0 GIADRO Cc1occc1CN(C)C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179383205 822474632 /nfs/dbraw/zinc/47/46/32/822474632.db2.gz OOOWCAQHVLLTMW-HNAYVOBHSA-N 1 0 393.890 4.215 20 0 GIADRO C[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+](Cc2cnc(-c3ccccc3)[nH]2)CC1 ZINC000179388509 822475552 /nfs/dbraw/zinc/47/55/52/822475552.db2.gz YYZHMTRTTUHANJ-MRXNPFEDSA-N 1 0 384.524 4.202 20 0 GIADRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C[C@H]2CCN(c3ccc(F)cc3)C2)CC1 ZINC000183445346 822476035 /nfs/dbraw/zinc/47/60/35/822476035.db2.gz LIYPWBMMPRXAQC-MJGOQNOKSA-N 1 0 391.531 4.031 20 0 GIADRO CC[C@H](C)[NH+]1CCN(C(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2C)CC1 ZINC000454447314 822477318 /nfs/dbraw/zinc/47/73/18/822477318.db2.gz FPESXWJYHRILDB-SFHVURJKSA-N 1 0 394.519 4.195 20 0 GIADRO CC[C@@H](C)[NH+]1CCN(C(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2C)CC1 ZINC000454447310 822477373 /nfs/dbraw/zinc/47/73/73/822477373.db2.gz FPESXWJYHRILDB-GOSISDBHSA-N 1 0 394.519 4.195 20 0 GIADRO Cc1cc2ncc([C@@H](C)[NH2+]Cc3cccc(NC(=O)C4CCCC4)c3)c(C)n2n1 ZINC000179401896 822477623 /nfs/dbraw/zinc/47/76/23/822477623.db2.gz RZTHMFYACMVOHK-MRXNPFEDSA-N 1 0 391.519 4.326 20 0 GIADRO CCCn1nc(C)c(C[NH2+][C@@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)c1C ZINC000183457800 822477937 /nfs/dbraw/zinc/47/79/37/822477937.db2.gz SQZNRPGYTZKMFE-KRWDZBQOSA-N 1 0 397.567 4.017 20 0 GIADRO Cc1cccc(OC(F)F)c1NC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183464564 822478957 /nfs/dbraw/zinc/47/89/57/822478957.db2.gz UQDFHZRQROFSBL-CABCVRRESA-N 1 0 381.467 4.371 20 0 GIADRO Cc1cccc(OC(F)F)c1NC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183464504 822478968 /nfs/dbraw/zinc/47/89/68/822478968.db2.gz UQDFHZRQROFSBL-LSDHHAIUSA-N 1 0 381.467 4.371 20 0 GIADRO CC(C)(C)Oc1c(F)cc(NC(=O)N2CCC([NH+]3CCCC3)CC2)cc1F ZINC000183466956 822479416 /nfs/dbraw/zinc/47/94/16/822479416.db2.gz QTDBEDCHZXLGRT-UHFFFAOYSA-N 1 0 381.467 4.234 20 0 GIADRO CCN(CC)[C@@H](C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1ccco1 ZINC000183468558 822479631 /nfs/dbraw/zinc/47/96/31/822479631.db2.gz XYSVREOKHYBBQI-ROUUACIJSA-N 1 0 379.545 4.042 20 0 GIADRO COc1cccc([C@H]2C[C@H](N(C)C(=O)Nc3cccc(OCC[NH+](C)C)c3)C2)c1 ZINC000454475374 822481124 /nfs/dbraw/zinc/48/11/24/822481124.db2.gz DOTCEMVNAQEHGT-KESTWPANSA-N 1 0 397.519 4.046 20 0 GIADRO CC(C)[NH+]1CCC(NC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)CC1 ZINC000179439209 822483037 /nfs/dbraw/zinc/48/30/37/822483037.db2.gz MQTUCLLVYRLJMT-GOSISDBHSA-N 1 0 383.458 4.329 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)c1nccs1 ZINC000179448683 822484756 /nfs/dbraw/zinc/48/47/56/822484756.db2.gz XPBIFTXXIRNECU-MWLCHTKSSA-N 1 0 376.835 4.140 20 0 GIADRO Cc1ccccc1CCN(C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000454495867 822484882 /nfs/dbraw/zinc/48/48/82/822484882.db2.gz YGQFEEJCGQCRPJ-CWAQXLGLSA-N 1 0 391.559 4.375 20 0 GIADRO COc1ccc(C[C@@H](C)[NH2+]CCc2coc(-c3ccc(F)cc3)n2)cc1OC ZINC000179456829 822485839 /nfs/dbraw/zinc/48/58/39/822485839.db2.gz FMPJRRIVCVACLK-OAHLLOKOSA-N 1 0 384.451 4.261 20 0 GIADRO COc1ccc(COCC[NH2+][C@H](C)c2sc(-c3cccnc3)nc2C)cc1 ZINC000179463502 822486403 /nfs/dbraw/zinc/48/64/03/822486403.db2.gz GLEWLUQSVLWVGI-OAHLLOKOSA-N 1 0 383.517 4.390 20 0 GIADRO C[N@@H+]1CCC[C@@H]1CCN1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000179469496 822487227 /nfs/dbraw/zinc/48/72/27/822487227.db2.gz FABRBAKACQTGSS-CRAIPNDOSA-N 1 0 384.351 4.271 20 0 GIADRO COc1cc(F)c([C@H](C)[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)cc1OC ZINC000183513024 822488389 /nfs/dbraw/zinc/48/83/89/822488389.db2.gz BRMXUDCVLQAJCK-GJZGRUSLSA-N 1 0 396.503 4.283 20 0 GIADRO Cc1c([C@H](C)[NH2+]C[C@@H](C)c2nc(-c3ccccc3)no2)cnn1-c1ccccn1 ZINC000179479719 822488743 /nfs/dbraw/zinc/48/87/43/822488743.db2.gz NJSJUXBALRNIHU-CVEARBPZSA-N 1 0 388.475 4.080 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000183517000 822488826 /nfs/dbraw/zinc/48/88/26/822488826.db2.gz ULRPOGUJBAAACF-QHLBDZCJSA-N 1 0 397.899 4.063 20 0 GIADRO Cc1c([C@@H](C)[NH2+]C[C@H](C)c2nc(-c3ccccc3)no2)cnn1-c1ccccn1 ZINC000179479731 822488803 /nfs/dbraw/zinc/48/88/03/822488803.db2.gz NJSJUXBALRNIHU-JKSUJKDBSA-N 1 0 388.475 4.080 20 0 GIADRO C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000183517020 822488844 /nfs/dbraw/zinc/48/88/44/822488844.db2.gz ULRPOGUJBAAACF-OYYNGEPBSA-N 1 0 397.899 4.063 20 0 GIADRO C[C@H](NC(=O)Nc1ccccc1OCC(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183522420 822489540 /nfs/dbraw/zinc/48/95/40/822489540.db2.gz OWBISOQLCOXMIO-LSDHHAIUSA-N 1 0 381.467 4.105 20 0 GIADRO Cc1ccccc1CCN(C)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000454518208 822489640 /nfs/dbraw/zinc/48/96/40/822489640.db2.gz NRWZYLCOXPDUFD-FQEVSTJZSA-N 1 0 379.548 4.405 20 0 GIADRO C[C@H]([NH2+]C[C@@H]1C[C@H](O)CN1Cc1ccccc1)c1nc(-c2ccccc2)cs1 ZINC000179485913 822489792 /nfs/dbraw/zinc/48/97/92/822489792.db2.gz SIRROCFETQFCOW-YYWHXJBOSA-N 1 0 393.556 4.096 20 0 GIADRO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3ccc(COc4ccccc4)cc3)CC[C@@H]21 ZINC000179487006 822489984 /nfs/dbraw/zinc/48/99/84/822489984.db2.gz WCIKDZHWBLAXHA-UGKGYDQZSA-N 1 0 379.504 4.214 20 0 GIADRO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]C[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000179487238 822490018 /nfs/dbraw/zinc/49/00/18/822490018.db2.gz ZOGKLFSHWHHGOQ-SNRMKQJTSA-N 1 0 387.593 4.035 20 0 GIADRO O=C(CC[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1)Nc1cccc2ccccc21 ZINC000179497902 822491571 /nfs/dbraw/zinc/49/15/71/822491571.db2.gz HULFYOXVNYVMOF-SFHVURJKSA-N 1 0 389.503 4.044 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1cccc(-n2ccnc2)c1 ZINC000183537557 822491689 /nfs/dbraw/zinc/49/16/89/822491689.db2.gz GMWAQJKCFWEMCE-MJGOQNOKSA-N 1 0 384.524 4.313 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1ccc(-n2cccn2)cc1 ZINC000183538905 822491923 /nfs/dbraw/zinc/49/19/23/822491923.db2.gz PZQUGDIDQLVCDQ-PKOBYXMFSA-N 1 0 384.524 4.313 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@H]2CCCN(c3ccccc3F)C2)cc1NC(C)=O ZINC000179500219 822492098 /nfs/dbraw/zinc/49/20/98/822492098.db2.gz VCXJHRODLZGFKI-YJBOKZPZSA-N 1 0 385.483 4.112 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@@H]2CCCCC2(F)F)CC1 ZINC000454534065 822492643 /nfs/dbraw/zinc/49/26/43/822492643.db2.gz ZYKNSLKTOQKESF-AEFFLSMTSA-N 1 0 379.495 4.337 20 0 GIADRO COc1cc(C)c([C@@H](C)NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)cc1OC ZINC000046615459 822493196 /nfs/dbraw/zinc/49/31/96/822493196.db2.gz STXUJLBDAXRCBT-ZWKOTPCHSA-N 1 0 391.556 4.027 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]C[C@H](C)COc2ccccc2OC)cc1NC(C)=O ZINC000179512709 822493850 /nfs/dbraw/zinc/49/38/50/822493850.db2.gz YMDAVBUSHBPEPJ-JKSUJKDBSA-N 1 0 386.492 4.028 20 0 GIADRO Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@@H](C)Cn2ncc3ccccc3c2=O)c1 ZINC000179513728 822494134 /nfs/dbraw/zinc/49/41/34/822494134.db2.gz KXHFDBIVNAJMMR-GJZGRUSLSA-N 1 0 387.430 4.046 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)Cn1ncc2ccccc2c1=O)c1ccccc1C(F)(F)F ZINC000179514332 822494291 /nfs/dbraw/zinc/49/42/91/822494291.db2.gz AVFPIMWLVSWFGY-UONOGXRCSA-N 1 0 375.394 4.155 20 0 GIADRO CC[C@@H]([NH2+][C@@H](C)Cn1ncc2ccccc2c1=O)c1ccccc1OC(F)F ZINC000179513783 822494298 /nfs/dbraw/zinc/49/42/98/822494298.db2.gz XWULHHFONQZQDH-KBXCAEBGSA-N 1 0 387.430 4.127 20 0 GIADRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)c3cc4ccccc4s3)cc2)C[C@H](C)O1 ZINC000046623072 822494484 /nfs/dbraw/zinc/49/44/84/822494484.db2.gz DYWMZJHFXXEGTB-CALCHBBNSA-N 1 0 394.540 4.441 20 0 GIADRO c1ccc(COc2ccc(C[N@@H+]3CCC[C@H](c4nnc(C5CC5)[nH]4)C3)cc2)nc1 ZINC000179515653 822494816 /nfs/dbraw/zinc/49/48/16/822494816.db2.gz XPBZMMHTLUEOND-IBGZPJMESA-N 1 0 389.503 4.036 20 0 GIADRO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000179515999 822494860 /nfs/dbraw/zinc/49/48/60/822494860.db2.gz PECHXQRKJFWJAV-CVEARBPZSA-N 1 0 390.512 4.259 20 0 GIADRO CCOc1ccc(Cl)cc1[C@@H](C)[NH2+][C@H](C)Cn1ncc2ccccc2c1=O ZINC000179516844 822495067 /nfs/dbraw/zinc/49/50/67/822495067.db2.gz MOSHDJYHCKAQPL-HUUCEWRRSA-N 1 0 385.895 4.188 20 0 GIADRO CC(C)CNC(=O)c1cccc(C[NH2+][C@@H](C)c2cccc(-n3cccn3)c2)c1 ZINC000183570476 822496239 /nfs/dbraw/zinc/49/62/39/822496239.db2.gz COSJGPBMIIVIEN-SFHVURJKSA-N 1 0 376.504 4.109 20 0 GIADRO C[C@H]([NH2+]Cc1cccnc1OCC(F)F)c1cccc(OC(F)(F)F)c1 ZINC000179522337 822496575 /nfs/dbraw/zinc/49/65/75/822496575.db2.gz FTJRTCNVNJWVDT-NSHDSACASA-N 1 0 376.325 4.475 20 0 GIADRO CCn1nc(C)c(NC(=O)NCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)c1C ZINC000179530790 822497969 /nfs/dbraw/zinc/49/79/69/822497969.db2.gz WPTSTKBWDFBQOL-IRXDYDNUSA-N 1 0 397.567 4.319 20 0 GIADRO CCn1nc(C)c(NC(=O)NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)c1C ZINC000179530674 822497979 /nfs/dbraw/zinc/49/79/79/822497979.db2.gz OYUOVROGFHTMSD-CALCHBBNSA-N 1 0 397.567 4.319 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)c1ccccc1Br)c1cccc(-n2cccn2)c1 ZINC000183590226 822498234 /nfs/dbraw/zinc/49/82/34/822498234.db2.gz HXRXXJHZDXJJEI-AUUYWEPGSA-N 1 0 386.293 4.019 20 0 GIADRO Cc1cc(Sc2ccccc2)ccc1NC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000454569894 822498422 /nfs/dbraw/zinc/49/84/22/822498422.db2.gz DOMWHGPHABRNMD-GOSISDBHSA-N 1 0 399.560 4.115 20 0 GIADRO CCn1nc(C)c(NC(=O)NCc2ccccc2C[NH+]2CCCCCC2)c1C ZINC000179532968 822498622 /nfs/dbraw/zinc/49/86/22/822498622.db2.gz LWLYDQZLZTYAKG-UHFFFAOYSA-N 1 0 383.540 4.218 20 0 GIADRO COC(=O)c1cc2cc(C[NH2+][C@H](C)c3cccc(-n4cccn4)c3)ccc2o1 ZINC000183594272 822498680 /nfs/dbraw/zinc/49/86/80/822498680.db2.gz FVSPKIBPRPCVMP-OAHLLOKOSA-N 1 0 375.428 4.256 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CCc2csc(C(C)(C)C)n2)cc1 ZINC000179535694 822499065 /nfs/dbraw/zinc/49/90/65/822499065.db2.gz GRGCDARYEGZGDN-CQSZACIVSA-N 1 0 395.594 4.096 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1cnc2ccc(F)cc2c1 ZINC000179538805 822499695 /nfs/dbraw/zinc/49/96/95/822499695.db2.gz ONTDSHUYHXTCSF-KRWDZBQOSA-N 1 0 377.463 4.111 20 0 GIADRO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000183615164 822501709 /nfs/dbraw/zinc/50/17/09/822501709.db2.gz BZYCOEQWWVBYNS-AWEZNQCLSA-N 1 0 395.425 4.083 20 0 GIADRO CCC[C@@H]1C[C@H](C(=O)Nc2cc(C[NH+]3CCSCC3)ccc2C)CCO1 ZINC000183616598 822501892 /nfs/dbraw/zinc/50/18/92/822501892.db2.gz LDJXTRZQKPWGQN-RTBURBONSA-N 1 0 376.566 4.078 20 0 GIADRO C[NH+](C)CCCOC1CCN(C(=O)N[C@H](CC2CCC2)c2ccccc2)CC1 ZINC000183642882 822505381 /nfs/dbraw/zinc/50/53/81/822505381.db2.gz CNGUTGFULKYNKD-JOCHJYFZSA-N 1 0 387.568 4.060 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1cccc(OC(F)F)c1)C(=O)N(C)Cc1cccc(F)c1 ZINC000179573215 822505691 /nfs/dbraw/zinc/50/56/91/822505691.db2.gz MXWGSNFUAUGFEI-ZIAGYGMSSA-N 1 0 380.410 4.125 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCCCC2(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000454615407 822506688 /nfs/dbraw/zinc/50/66/88/822506688.db2.gz ZVDMBIREOPCXNY-NZSAHSFTSA-N 1 0 379.495 4.164 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1nc2ccccc2s1)c1cccc(OC(F)F)c1 ZINC000179583427 822506811 /nfs/dbraw/zinc/50/68/11/822506811.db2.gz JQAQVFBIXREPAZ-NSHDSACASA-N 1 0 377.416 4.187 20 0 GIADRO CC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cccc(OC(F)F)c2)cc1 ZINC000179585917 822507176 /nfs/dbraw/zinc/50/71/76/822507176.db2.gz JEBGJYUUGUFDAH-STQMWFEESA-N 1 0 376.403 4.168 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)c2ccccc2OCc2noc(C)n2)c1 ZINC000046706349 822507490 /nfs/dbraw/zinc/50/74/90/822507490.db2.gz QQSJLISRLUBGEG-UHFFFAOYSA-N 1 0 394.475 4.051 20 0 GIADRO O=C(NC1CC[NH+](C2CCCC2)CC1)N[C@@H]1CCCc2c(F)cc(F)cc21 ZINC000454629745 822509099 /nfs/dbraw/zinc/50/90/99/822509099.db2.gz YCTPRBNMJORPRZ-HXUWFJFHSA-N 1 0 377.479 4.048 20 0 GIADRO CSCC1CCC(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000454630812 822509558 /nfs/dbraw/zinc/50/95/58/822509558.db2.gz ZCQAPAOVJMQOLS-GHOZHQTGSA-N 1 0 389.609 4.118 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)CCCc2ncc(-c3ccccc3)o2)cc1 ZINC000046724331 822509972 /nfs/dbraw/zinc/50/99/72/822509972.db2.gz HWCLWVJCDCVKFP-UHFFFAOYSA-N 1 0 393.487 4.243 20 0 GIADRO CCC[N@H+](Cc1c(C)nn(C)c1N1CCOCC1)[C@@H](C)c1cc2ccccc2o1 ZINC000179598401 822510064 /nfs/dbraw/zinc/51/00/64/822510064.db2.gz JQPZWBQWLJPUBX-SFHVURJKSA-N 1 0 396.535 4.285 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)c1ccc(-n2ccnc2C)cc1)C(=O)Nc1ccc(OC)cc1 ZINC000183679856 822510160 /nfs/dbraw/zinc/51/01/60/822510160.db2.gz ZLMBAUKBHKLISL-AOMKIAJQSA-N 1 0 392.503 4.257 20 0 GIADRO CCCC[C@@H]([NH2+][C@H](C)c1ccc(-n2ccnc2C)cc1)C(=O)Nc1cc(C)on1 ZINC000183680840 822510442 /nfs/dbraw/zinc/51/04/42/822510442.db2.gz OVJRHPPBIAWFHL-OXQOHEQNSA-N 1 0 395.507 4.325 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)C[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000179606084 822511511 /nfs/dbraw/zinc/51/15/11/822511511.db2.gz LFIMSALXFFJHSV-LLVKDONJSA-N 1 0 384.810 4.239 20 0 GIADRO Cc1cccc(C)c1NC(=O)CCC[NH2+]C(C)(C)C(=O)NCC1CCCCC1 ZINC000179608691 822511996 /nfs/dbraw/zinc/51/19/96/822511996.db2.gz JUZUGCMOVRYUEI-UHFFFAOYSA-N 1 0 387.568 4.087 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1)c1ccc(OC(F)F)cc1 ZINC000179608820 822512009 /nfs/dbraw/zinc/51/20/09/822512009.db2.gz OHLSKRQWOBHGHC-OLZOCXBDSA-N 1 0 398.400 4.436 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1)c1ccc(OC(F)F)cc1 ZINC000179608843 822512064 /nfs/dbraw/zinc/51/20/64/822512064.db2.gz OHLSKRQWOBHGHC-CHWSQXEVSA-N 1 0 398.400 4.436 20 0 GIADRO CC(C)C[NH+]1CCC(NC(=O)c2cc(C3CC3)nc3onc(C(C)C)c32)CC1 ZINC000046745063 822512168 /nfs/dbraw/zinc/51/21/68/822512168.db2.gz LGLYMANYUHRAKR-UHFFFAOYSA-N 1 0 384.524 4.074 20 0 GIADRO Cc1csc(Sc2ccc(NC(=O)NC(C)(C)C[NH+](C)C)c(C)c2)n1 ZINC000454656028 822512857 /nfs/dbraw/zinc/51/28/57/822512857.db2.gz FDCLECAQQOZBSG-UHFFFAOYSA-N 1 0 378.567 4.373 20 0 GIADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)Nc3cccc(CSc4ccccn4)c3)C2)C1 ZINC000454657107 822513128 /nfs/dbraw/zinc/51/31/28/822513128.db2.gz FNYYBEYAECYGNR-QFIPXVFZSA-N 1 0 396.560 4.324 20 0 GIADRO CCOc1c(Br)cc(C[N@H+](C)[C@H](C)c2ccncc2)cc1OC ZINC000183704653 822514263 /nfs/dbraw/zinc/51/42/63/822514263.db2.gz MZKVKXXJHQVKED-CYBMUJFWSA-N 1 0 379.298 4.444 20 0 GIADRO O=C(NCCCCC[NH+]1CCCC1)Nc1cccc(OCc2cscn2)c1 ZINC000454665483 822514486 /nfs/dbraw/zinc/51/44/86/822514486.db2.gz IDMZPBXAOOHDKY-UHFFFAOYSA-N 1 0 388.537 4.110 20 0 GIADRO Cc1oc(-c2cccs2)nc1C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000046766026 822515106 /nfs/dbraw/zinc/51/51/06/822515106.db2.gz OQBBZPXSYIIDPR-UHFFFAOYSA-N 1 0 381.501 4.060 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]C[C@H](O)COCc1cccs1 ZINC000183714807 822515543 /nfs/dbraw/zinc/51/55/43/822515543.db2.gz UFIHWMFDHKPVNX-PBHICJAKSA-N 1 0 388.558 4.408 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]C[C@@H](O)COCc1cccs1 ZINC000183714866 822515777 /nfs/dbraw/zinc/51/57/77/822515777.db2.gz UFIHWMFDHKPVNX-WMLDXEAASA-N 1 0 388.558 4.408 20 0 GIADRO COc1cc(OC)cc(N2CC[C@@H]([NH2+]CC3CCC(C(F)(F)F)CC3)C2)c1 ZINC000183725835 822517257 /nfs/dbraw/zinc/51/72/57/822517257.db2.gz XRIIKSQQRXHXRV-UYSNPLJNSA-N 1 0 386.458 4.241 20 0 GIADRO Cc1oc(-c2cccs2)nc1C(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000046786658 822517381 /nfs/dbraw/zinc/51/73/81/822517381.db2.gz FBVBIGYILCMRKI-UHFFFAOYSA-N 1 0 395.528 4.368 20 0 GIADRO COc1ccccc1CNC(=O)C[NH2+][C@H](C)c1sc(-c2ccccc2)nc1C ZINC000183727912 822517532 /nfs/dbraw/zinc/51/75/32/822517532.db2.gz QJTQSNVQXCZAIL-OAHLLOKOSA-N 1 0 395.528 4.094 20 0 GIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NCc2ncc(C(C)C)s2)CC1 ZINC000183733808 822518307 /nfs/dbraw/zinc/51/83/07/822518307.db2.gz APKQVIKANRUATO-INIZCTEOSA-N 1 0 390.572 4.398 20 0 GIADRO COc1cc(OC)c([C@@H](C)[NH2+]Cc2ccc(N3CCOC3=O)cc2)cc1Cl ZINC000183736492 822519170 /nfs/dbraw/zinc/51/91/70/822519170.db2.gz IECGEGOHHNIULM-CYBMUJFWSA-N 1 0 390.867 4.165 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]Cc1cc(=O)n2cccc(C)c2n1 ZINC000183735609 822519177 /nfs/dbraw/zinc/51/91/77/822519177.db2.gz XTMRWQXFYXMPSP-OAHLLOKOSA-N 1 0 390.512 4.286 20 0 GIADRO COc1ccc([C@H](C[NH2+][C@H](c2ccco2)c2ccccc2)N(C)C)cc1OC ZINC000183740003 822520165 /nfs/dbraw/zinc/52/01/65/822520165.db2.gz NFRNIWALVUHPMR-CVDCTZTESA-N 1 0 380.488 4.279 20 0 GIADRO CN(C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)c1ccc(F)cc1 ZINC000179655106 822521255 /nfs/dbraw/zinc/52/12/55/822521255.db2.gz UIXGAVHXHZZNHT-KUHUBIRLSA-N 1 0 393.865 4.457 20 0 GIADRO FC(F)(F)COCc1cccc(C[NH2+]Cc2cncc(Br)c2)c1 ZINC000183750900 822521953 /nfs/dbraw/zinc/52/19/53/822521953.db2.gz BQWFEVKLFBWSKQ-UHFFFAOYSA-N 1 0 389.215 4.213 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CCc2cc(Cl)c3c(c2)OCCCO3)c1 ZINC000179666571 822523203 /nfs/dbraw/zinc/52/32/03/822523203.db2.gz JBXHJFFCLITWHD-CQSZACIVSA-N 1 0 388.895 4.353 20 0 GIADRO CCc1noc(C)c1CNC(=O)NCC1(CC)CC[NH+](Cc2ccccc2)CC1 ZINC000454722678 822523490 /nfs/dbraw/zinc/52/34/90/822523490.db2.gz VWHABEWFHNOJBN-UHFFFAOYSA-N 1 0 398.551 4.037 20 0 GIADRO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3ccc(F)cc3-c3nc4ccccc4s3)C[C@@H]21 ZINC000454732204 822524627 /nfs/dbraw/zinc/52/46/27/822524627.db2.gz IJGONAOOYMPFBH-ACJLOTCBSA-N 1 0 396.491 4.270 20 0 GIADRO Cc1noc(C)c1CSc1ccccc1C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000046861793 822524873 /nfs/dbraw/zinc/52/48/73/822524873.db2.gz BTEJPCVAWBQSCL-HNNXBMFYSA-N 1 0 387.549 4.045 20 0 GIADRO CC[C@@H](c1nnc(NC(=O)NC(C)(C)CCC[NH+](C)C)s1)c1ccccc1 ZINC000454734737 822525080 /nfs/dbraw/zinc/52/50/80/822525080.db2.gz KRPHNACQSKNWCS-MRXNPFEDSA-N 1 0 389.569 4.322 20 0 GIADRO CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2cccc(Cl)c2Cl)cc1 ZINC000183767096 822525160 /nfs/dbraw/zinc/52/51/60/822525160.db2.gz ZESKDVNLICRONL-SWLSCSKDSA-N 1 0 397.302 4.042 20 0 GIADRO COc1cccc([C@@H]2[C@@H](NC(=O)Nc3cc(F)ccc3F)CC[N@@H+]2C2CC2)c1 ZINC000183767884 822525395 /nfs/dbraw/zinc/52/53/95/822525395.db2.gz LQUJTLFTKURFEH-AZUAARDMSA-N 1 0 387.430 4.073 20 0 GIADRO Cc1ccc(NCc2c[nH]nc2-c2ccc(F)cc2)cc1NC(=O)CC[NH+](C)C ZINC000183774649 822526481 /nfs/dbraw/zinc/52/64/81/822526481.db2.gz QJNJTIFSBDWFCB-UHFFFAOYSA-N 1 0 395.482 4.027 20 0 GIADRO Cc1ccc(NC(=O)C[NH2+][C@@H](C)c2cccc(OCc3ccccn3)c2)cc1 ZINC000179685639 822526893 /nfs/dbraw/zinc/52/68/93/822526893.db2.gz GHTOBCQPINXVGN-SFHVURJKSA-N 1 0 375.472 4.258 20 0 GIADRO C[C@H]([NH2+]CC(=O)N(C)C1CCCCC1)c1cccc(OCc2ccccn2)c1 ZINC000179686342 822527122 /nfs/dbraw/zinc/52/71/22/822527122.db2.gz AIYQADCZIGQVJG-SFHVURJKSA-N 1 0 381.520 4.102 20 0 GIADRO CC[C@@H]1CCCCN1C(=O)C[NH2+][C@H](C)c1cccc(OCc2ccccn2)c1 ZINC000179688053 822527788 /nfs/dbraw/zinc/52/77/88/822527788.db2.gz RSHNRNRLUSGBQI-WIYYLYMNSA-N 1 0 381.520 4.102 20 0 GIADRO C[C@H]([NH2+]CC(=O)NC1CCC(C)CC1)c1cccc(OCc2ccccn2)c1 ZINC000179688593 822527810 /nfs/dbraw/zinc/52/78/10/822527810.db2.gz IDCGJMQBTHMOLX-FDYSRKEFSA-N 1 0 381.520 4.006 20 0 GIADRO C[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1F)c1cccc(OCc2ccccn2)c1 ZINC000179690200 822528217 /nfs/dbraw/zinc/52/82/17/822528217.db2.gz DBPXZMRYWWRYTJ-QRQCRPRQSA-N 1 0 384.426 4.323 20 0 GIADRO C[C@H]([NH2+]CC(=O)NCCC1=CCCCC1)c1cccc(OCc2ccccn2)c1 ZINC000179692443 822528440 /nfs/dbraw/zinc/52/84/40/822528440.db2.gz MINAZENEBZXBGR-IBGZPJMESA-N 1 0 393.531 4.318 20 0 GIADRO Cc1ccc(NC(=O)N2CCC[C@@]3(CC=CCC3)C2)cc1NC(=O)CC[NH+](C)C ZINC000183803760 822529990 /nfs/dbraw/zinc/52/99/90/822529990.db2.gz CXDDVTAENPVGCY-QHCPKHFHSA-N 1 0 398.551 4.239 20 0 GIADRO COc1cc([C@H](C)[NH2+]C[C@H](O)c2ccc(C)cc2)ccc1OCc1ccncc1 ZINC000179699608 822530102 /nfs/dbraw/zinc/53/01/02/822530102.db2.gz ZAOTVGKNMFYHEZ-AVRDEDQJSA-N 1 0 392.499 4.362 20 0 GIADRO C[C@H](c1nc2ccccc2s1)N(C)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000046926411 822531742 /nfs/dbraw/zinc/53/17/42/822531742.db2.gz BTGCDDINFYHCTG-OAHLLOKOSA-N 1 0 382.533 4.261 20 0 GIADRO Cc1noc(C)c1CSCC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000046934135 822532279 /nfs/dbraw/zinc/53/22/79/822532279.db2.gz WUXUGSVZNMIHFA-HNNXBMFYSA-N 1 0 387.549 4.395 20 0 GIADRO CC(=O)N[C@@H](CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1cccs1 ZINC000046934192 822532304 /nfs/dbraw/zinc/53/23/04/822532304.db2.gz ITFDCEVBKIEVMZ-UZLBHIALSA-N 1 0 399.560 4.186 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cc4ccccc4c(=O)[nH]3)cc2)C1 ZINC000046934421 822532503 /nfs/dbraw/zinc/53/25/03/822532503.db2.gz RQNVRVAGTCKBAG-INIZCTEOSA-N 1 0 375.472 4.012 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2cc(=O)c3ccccc3o2)cc1 ZINC000046934931 822532588 /nfs/dbraw/zinc/53/25/88/822532588.db2.gz AYSLYKCMNCCCQG-QGZVFWFLSA-N 1 0 390.483 4.097 20 0 GIADRO C[C@H](CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)NC(=O)c1ccccc1 ZINC000046934411 822532658 /nfs/dbraw/zinc/53/26/58/822532658.db2.gz UPKRQCPCDATQHT-RBUKOAKNSA-N 1 0 393.531 4.066 20 0 GIADRO CC[C@@H]([NH2+]CCC(=O)Nc1cc(N)ccc1F)c1ccccc1OC(F)F ZINC000179715669 822533667 /nfs/dbraw/zinc/53/36/67/822533667.db2.gz ZVMYGPDBLUDAHG-OAHLLOKOSA-N 1 0 381.398 4.079 20 0 GIADRO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2cc(NC(=O)Nc3ccccc3)ccc2C)C1 ZINC000046956648 822534160 /nfs/dbraw/zinc/53/41/60/822534160.db2.gz CBYDDSKRBQJTFT-KRWDZBQOSA-N 1 0 395.507 4.102 20 0 GIADRO CC[C@@H]([NH2+]C[C@H]1CN(c2ccccc2)C(=O)O1)c1ccccc1OC(F)F ZINC000179725112 822535783 /nfs/dbraw/zinc/53/57/83/822535783.db2.gz VEIZOCRYUUMUPY-DOTOQJQBSA-N 1 0 376.403 4.354 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)CCc1ncc(-c2ccc(F)cc2)o1 ZINC000046988474 822536031 /nfs/dbraw/zinc/53/60/31/822536031.db2.gz ZXOVUMPJQOBRGJ-KRWDZBQOSA-N 1 0 387.499 4.184 20 0 GIADRO C[C@H](NC(=O)C[NH2+][C@H](CCCO)c1ccccc1)c1cccc2ccccc21 ZINC000179730271 822537029 /nfs/dbraw/zinc/53/70/29/822537029.db2.gz HGXHTJIOFOSWES-FDDCHVKYSA-N 1 0 376.500 4.120 20 0 GIADRO CCc1noc(C2CCC([NH2+]Cc3nccn3CCCc3ccccc3)CC2)n1 ZINC000183860984 822537326 /nfs/dbraw/zinc/53/73/26/822537326.db2.gz GNTALGKBYMOMTN-UHFFFAOYSA-N 1 0 393.535 4.277 20 0 GIADRO Cc1noc(C)c1COc1ccccc1C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000047015501 822537689 /nfs/dbraw/zinc/53/76/89/822537689.db2.gz DQRTXBGHSFZZGB-UHFFFAOYSA-N 1 0 399.535 4.112 20 0 GIADRO CCc1ccc2c(C[NH2+][C@@H](c3ccc4c(c3)OCCO4)C3CC3)cc(=O)oc2c1 ZINC000179736671 822538990 /nfs/dbraw/zinc/53/89/90/822538990.db2.gz BOBKCJAFHPCANC-XMMPIXPASA-N 1 0 391.467 4.368 20 0 GIADRO Cc1cc2oc(=O)cc(C[N@@H+]3CCC[C@H](C4(C)OCCO4)C3)c2cc1C(C)C ZINC000183879674 822539619 /nfs/dbraw/zinc/53/96/19/822539619.db2.gz NWBWLAYEWYTXMQ-SFHVURJKSA-N 1 0 385.504 4.200 20 0 GIADRO C[C@H]1CCN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)[C@@H]1c1cccc(F)c1 ZINC000179744965 822541470 /nfs/dbraw/zinc/54/14/70/822541470.db2.gz ZVOBZTQKCACUTC-JTSKRJEESA-N 1 0 396.510 4.230 20 0 GIADRO CC(C)c1noc2nc(C3CC3)cc(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)c21 ZINC000047065384 822541762 /nfs/dbraw/zinc/54/17/62/822541762.db2.gz YZQKBFMSELRLKW-UHFFFAOYSA-N 1 0 384.524 4.263 20 0 GIADRO CN(Cc1csc2ccccc12)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179747087 822541813 /nfs/dbraw/zinc/54/18/13/822541813.db2.gz AGVJYJXMYCQUHA-UHFFFAOYSA-N 1 0 394.544 4.354 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N1CCCCC[C@@H]1c1ccncc1 ZINC000179750272 822542412 /nfs/dbraw/zinc/54/24/12/822542412.db2.gz IOQUICVWEVPWFB-JOCHJYFZSA-N 1 0 393.535 4.020 20 0 GIADRO C[C@@H]([NH2+]C1(c2ccc(F)cc2F)CCC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000179753051 822543099 /nfs/dbraw/zinc/54/30/99/822543099.db2.gz DOPIQWQLQWYBTH-CYBMUJFWSA-N 1 0 380.460 4.066 20 0 GIADRO Cc1ccc(NC(=O)Nc2ccc([C@H]3CCOC3)cc2)c(OCC[NH+](C)C)c1 ZINC000454835774 822543265 /nfs/dbraw/zinc/54/32/65/822543265.db2.gz JTPBZPFAPZQSQY-SFHVURJKSA-N 1 0 383.492 4.083 20 0 GIADRO Cc1cc(Br)ccc1C[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000179753825 822543341 /nfs/dbraw/zinc/54/33/41/822543341.db2.gz MAIYTUJSLPYKMR-UHFFFAOYSA-N 1 0 393.369 4.372 20 0 GIADRO Cc1cc(Cl)ccc1NC(=O)C[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179754114 822543543 /nfs/dbraw/zinc/54/35/43/822543543.db2.gz PBNKOHHSTXZHSD-OAQYLSRUSA-N 1 0 386.879 4.099 20 0 GIADRO Cc1cccc(C)c1NC(=O)[C@H](C)[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179756066 822544062 /nfs/dbraw/zinc/54/40/62/822544062.db2.gz YXZDDGIRNLVQJB-AOMKIAJQSA-N 1 0 380.488 4.143 20 0 GIADRO O=C(N[C@@H](c1cccs1)c1ccc(Cl)cc1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000047103785 822544789 /nfs/dbraw/zinc/54/47/89/822544789.db2.gz ZPUASUVZOFOPPA-ZHALLVOQSA-N 1 0 389.952 4.417 20 0 GIADRO CC(=O)Nc1cc(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)ccc1C ZINC000047108138 822544807 /nfs/dbraw/zinc/54/48/07/822544807.db2.gz ZQFIEKOMXTVHAZ-NRFANRHFSA-N 1 0 399.922 4.174 20 0 GIADRO O=C(Nc1ccccc1O)C1CC[NH+](Cc2cccc(-c3cccnc3)c2)CC1 ZINC000179767299 822548028 /nfs/dbraw/zinc/54/80/28/822548028.db2.gz QDBPDTICGRSKOO-UHFFFAOYSA-N 1 0 387.483 4.305 20 0 GIADRO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000047144037 822548361 /nfs/dbraw/zinc/54/83/61/822548361.db2.gz LSORUHDQCLMUCF-LBPRGKRZSA-N 1 0 379.863 4.047 20 0 GIADRO CSc1ncc(Cl)c(C(=O)Nc2cccc3c2C[N@H+](CC(C)C)C3)n1 ZINC000179767916 822548444 /nfs/dbraw/zinc/54/84/44/822548444.db2.gz SXRXGTWGTHXYNQ-UHFFFAOYSA-N 1 0 376.913 4.076 20 0 GIADRO O=C(Nc1ccccc1O)C1CC[NH+](Cc2cccc(-c3ccccn3)c2)CC1 ZINC000179767826 822548517 /nfs/dbraw/zinc/54/85/17/822548517.db2.gz BZTMDZAVZGSEAB-UHFFFAOYSA-N 1 0 387.483 4.305 20 0 GIADRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N[C@H](C)c1nc(C(F)(F)F)cs1 ZINC000454867432 822548746 /nfs/dbraw/zinc/54/87/46/822548746.db2.gz JIDLYLQFSZKIPM-OLZOCXBDSA-N 1 0 392.491 4.033 20 0 GIADRO CC[C@@H]1CN(C(=O)Nc2ccc(C)c(NC(C)=O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000183932766 822549649 /nfs/dbraw/zinc/54/96/49/822549649.db2.gz LQHUOJSYZODEFZ-OAQYLSRUSA-N 1 0 394.519 4.082 20 0 GIADRO Cc1ccc([C@@H](C)NC(=O)C[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1C ZINC000179773182 822549773 /nfs/dbraw/zinc/54/97/73/822549773.db2.gz NBNSPDWDVHDKSQ-ZWKOTPCHSA-N 1 0 393.531 4.180 20 0 GIADRO CC(C)[C@H](CCc1ccccc1)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000179773189 822549791 /nfs/dbraw/zinc/54/97/91/822549791.db2.gz QSJSHPFJXZBEOT-DEOSSOPVSA-N 1 0 393.575 4.453 20 0 GIADRO C[C@@H](C[N@H+](C)CCC(=O)NC(c1ccccc1)c1ccccc1)c1nccs1 ZINC000183938532 822550485 /nfs/dbraw/zinc/55/04/85/822550485.db2.gz JMPRHSDRLDKVBY-SFHVURJKSA-N 1 0 393.556 4.474 20 0 GIADRO Cc1sc(NC(=O)C[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)c(C)c1C ZINC000179777953 822550880 /nfs/dbraw/zinc/55/08/80/822550880.db2.gz JMIYDQGVWGWNQK-AWEZNQCLSA-N 1 0 385.533 4.311 20 0 GIADRO COC[C@@H](Cc1ccccc1)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC000179782153 822551983 /nfs/dbraw/zinc/55/19/83/822551983.db2.gz JCQCHVQLCVTQPE-HXUWFJFHSA-N 1 0 385.527 4.026 20 0 GIADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2cccc(NC(=O)c3cccs3)c2)C1 ZINC000047187873 822552606 /nfs/dbraw/zinc/55/26/06/822552606.db2.gz BCENBIQVBUWFGH-QGZVFWFLSA-N 1 0 399.560 4.242 20 0 GIADRO CC[C@H](NC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C1CCCC1 ZINC000454897295 822552950 /nfs/dbraw/zinc/55/29/50/822552950.db2.gz IMXRXGQMIGYCTG-JCYILVPMSA-N 1 0 375.479 4.060 20 0 GIADRO Cc1cnc(C(C)(C)[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)s1 ZINC000183953403 822553205 /nfs/dbraw/zinc/55/32/05/822553205.db2.gz CPNAAVSGJNITFI-LBPRGKRZSA-N 1 0 375.321 4.023 20 0 GIADRO CCCC(=O)Nc1ccc(Cl)c(NC(=O)NCC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000183956008 822553604 /nfs/dbraw/zinc/55/36/04/822553604.db2.gz RRFWGJFLPLKKQX-OAHLLOKOSA-N 1 0 394.947 4.465 20 0 GIADRO CC(=O)N1CCC[N@H+](Cc2ccc(-c3cccc(Br)c3)s2)CC1 ZINC000179811746 822557944 /nfs/dbraw/zinc/55/79/44/822557944.db2.gz AAZKXDAJJVOSMA-UHFFFAOYSA-N 1 0 393.350 4.232 20 0 GIADRO C[C@H]1CN(C(=O)Nc2ccc3c(c2)C(=O)CCC3)CC[N@H+](Cc2ccccc2)C1 ZINC000454926311 822558247 /nfs/dbraw/zinc/55/82/47/822558247.db2.gz NEPROKZGQQSZQJ-GOSISDBHSA-N 1 0 391.515 4.191 20 0 GIADRO C[NH+]1CCN(c2ccc(N[C@@H](c3ccccc3)c3ccc(F)cn3)cc2)CC1 ZINC000183989919 822559126 /nfs/dbraw/zinc/55/91/26/822559126.db2.gz RVRDGXCJNUTGTM-QHCPKHFHSA-N 1 0 376.479 4.174 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)N[C@@H]2CCOC3(CCCC3)C2)CC1 ZINC000183989935 822559156 /nfs/dbraw/zinc/55/91/56/822559156.db2.gz IIAHEBHMPXWOIX-HXUWFJFHSA-N 1 0 379.589 4.022 20 0 GIADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)Nc3ccc(Cl)c(Br)c3)C2)C1 ZINC000454940522 822560527 /nfs/dbraw/zinc/56/05/27/822560527.db2.gz IILLNDJHVINYPE-INIZCTEOSA-N 1 0 386.721 4.052 20 0 GIADRO COc1cccc2sc(NC(=O)C3CC[NH+](Cc4ccccc4)CC3)nc21 ZINC000047304011 822563652 /nfs/dbraw/zinc/56/36/52/822563652.db2.gz XTTYOQNOPMGSPD-UHFFFAOYSA-N 1 0 381.501 4.156 20 0 GIADRO Cc1cc(NC(=O)C2CC[NH+](Cc3ccc(OC(F)F)c(Cl)c3)CC2)no1 ZINC000179858025 822567431 /nfs/dbraw/zinc/56/74/31/822567431.db2.gz ZJLCVSXQVYCMOM-UHFFFAOYSA-N 1 0 399.825 4.089 20 0 GIADRO O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)N1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000455000997 822568339 /nfs/dbraw/zinc/56/83/39/822568339.db2.gz YYUPSCROQKXBOP-FGZHOGPDSA-N 1 0 383.536 4.204 20 0 GIADRO O=C(CCCc1ccc2ccccc2c1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000179867759 822568775 /nfs/dbraw/zinc/56/87/75/822568775.db2.gz SXXQLBANHOXLHW-UHFFFAOYSA-N 1 0 387.527 4.338 20 0 GIADRO Cc1ccc(C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)c(C2CC2)n1 ZINC000455005067 822569081 /nfs/dbraw/zinc/56/90/81/822569081.db2.gz VRSZDLMKPUVNCT-UHFFFAOYSA-N 1 0 390.531 4.052 20 0 GIADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)Nc3ccc(Cl)cc3Br)C2)C1 ZINC000455008165 822569635 /nfs/dbraw/zinc/56/96/35/822569635.db2.gz ZCJJSHGMUZEUEO-INIZCTEOSA-N 1 0 386.721 4.052 20 0 GIADRO O=C(Nc1ccc(Br)c(Cl)c1)NC1CC[NH+](C2CCC2)CC1 ZINC000455008668 822569788 /nfs/dbraw/zinc/56/97/88/822569788.db2.gz QJSQZSJUPASVQM-UHFFFAOYSA-N 1 0 386.721 4.241 20 0 GIADRO COc1ccc(-c2n[nH]cc2C[NH+]2CCC(C(=O)c3ccccc3)CC2)cc1 ZINC000179880330 822570721 /nfs/dbraw/zinc/57/07/21/822570721.db2.gz SKDAKVHYXLPFFK-UHFFFAOYSA-N 1 0 375.472 4.180 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1ccc(Oc2ccccc2Cl)cc1)C1CCOCC1 ZINC000179882520 822571257 /nfs/dbraw/zinc/57/12/57/822571257.db2.gz PQVPHQMOENRTMO-HNNXBMFYSA-N 1 0 388.895 4.476 20 0 GIADRO C[N@@H+]1CCCN(c2ccc(NC(=O)c3scnc3C3CCCC3)cc2)CC1 ZINC000184064601 822573396 /nfs/dbraw/zinc/57/33/96/822573396.db2.gz JXBZHRLUXYZBLI-UHFFFAOYSA-N 1 0 384.549 4.195 20 0 GIADRO Cc1ccc(NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)cc1C(F)(F)F ZINC000047396181 822574943 /nfs/dbraw/zinc/57/49/43/822574943.db2.gz MVABDOLWPQPOSU-UHFFFAOYSA-N 1 0 392.425 4.195 20 0 GIADRO COc1cc(C[N@H+](C)Cc2ccc(Br)c3cccnc23)ccc1O ZINC000179911465 822575416 /nfs/dbraw/zinc/57/54/16/822575416.db2.gz VXKXIXKZRIVHEX-UHFFFAOYSA-N 1 0 387.277 4.344 20 0 GIADRO O=C(C[N@H+](C[C@@H]1CCOC1)C1CC1)Nc1ccccc1Sc1ccccc1 ZINC000047405776 822575732 /nfs/dbraw/zinc/57/57/32/822575732.db2.gz AKPQXVZUGYXVKL-KRWDZBQOSA-N 1 0 382.529 4.277 20 0 GIADRO O=C(C[N@H+](C[C@H]1CCOC1)C1CC1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000047405827 822575735 /nfs/dbraw/zinc/57/57/35/822575735.db2.gz BWSJWSXCMVBYNM-SNVBAGLBSA-N 1 0 377.699 4.086 20 0 GIADRO Cc1cccc(Oc2ccc(NC(=O)C[N@H+](C[C@@H]3CCOC3)C3CC3)cc2)c1 ZINC000047405501 822575842 /nfs/dbraw/zinc/57/58/42/822575842.db2.gz MIVDMQVNXMNRFF-SFHVURJKSA-N 1 0 380.488 4.227 20 0 GIADRO O=C(NCCCCC[NH+]1CCCC1)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000455037833 822577195 /nfs/dbraw/zinc/57/71/95/822577195.db2.gz RZBHZNQIIFOFRB-MRXNPFEDSA-N 1 0 375.479 4.017 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)Cc2c[nH]c3cccc(OC)c23)CC1 ZINC000184096876 822577368 /nfs/dbraw/zinc/57/73/68/822577368.db2.gz RGRROFCDGRGYAP-UHFFFAOYSA-N 1 0 385.552 4.080 20 0 GIADRO COc1ccc(C[N@@H+]2CCCN(C(=O)c3cc4ccc(Cl)cc4[nH]3)CC2)cc1 ZINC000047431301 822578730 /nfs/dbraw/zinc/57/87/30/822578730.db2.gz KSLAOYCHBOOFGO-UHFFFAOYSA-N 1 0 397.906 4.178 20 0 GIADRO Cn1ccnc1SCc1ccc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)o1 ZINC000047435890 822578852 /nfs/dbraw/zinc/57/88/52/822578852.db2.gz NUVWMHNQVMAEPS-UHFFFAOYSA-N 1 0 396.516 4.154 20 0 GIADRO COc1ccc(OCc2nc(C[NH2+]C[C@@H](C)c3nc(C)cs3)cs2)cc1 ZINC000184111187 822579697 /nfs/dbraw/zinc/57/96/97/822579697.db2.gz VZQADIGSQVFJRZ-CYBMUJFWSA-N 1 0 389.546 4.389 20 0 GIADRO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3cn(C)nc3C(C)(C)C)C2)cc1 ZINC000179932824 822579706 /nfs/dbraw/zinc/57/97/06/822579706.db2.gz LQVNMKOSOHKQEM-SFHVURJKSA-N 1 0 397.567 4.060 20 0 GIADRO CCOc1cc(C(=O)Nc2cccc(C[NH+](C)C)c2)cc(OCC)c1OCC ZINC000047452655 822580925 /nfs/dbraw/zinc/58/09/25/822580925.db2.gz UOAUKGLBVIFMQQ-UHFFFAOYSA-N 1 0 386.492 4.197 20 0 GIADRO COc1cc(C(=O)Nc2cccc(C[NH+](C)C)c2)ccc1OCc1cscn1 ZINC000047454110 822581230 /nfs/dbraw/zinc/58/12/30/822581230.db2.gz NJWRZOFAKZZVGC-UHFFFAOYSA-N 1 0 397.500 4.045 20 0 GIADRO CCOc1cccc2cc([C@H](C)[NH2+]Cc3ccc(S(=O)(=O)CC)cc3)oc21 ZINC000179942019 822581860 /nfs/dbraw/zinc/58/18/60/822581860.db2.gz CMCHBVRKYTWOAD-HNNXBMFYSA-N 1 0 387.501 4.476 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1ccc(Cl)cc1C(F)(F)F)c1cccs1 ZINC000184128092 822583003 /nfs/dbraw/zinc/58/30/03/822583003.db2.gz OGLVNZUVBNUZSK-CYBMUJFWSA-N 1 0 376.831 4.453 20 0 GIADRO CCCCN(C)C(=O)C1CC[NH+](Cc2cccc(C(=O)OC(C)(C)C)c2)CC1 ZINC000179947994 822583277 /nfs/dbraw/zinc/58/32/77/822583277.db2.gz KMXJATKGKXPIGN-UHFFFAOYSA-N 1 0 388.552 4.112 20 0 GIADRO CC[C@H]([NH2+]Cc1ccc(S(=O)(=O)CC)cc1)c1cccc(Br)c1 ZINC000179955050 822585174 /nfs/dbraw/zinc/58/51/74/822585174.db2.gz SJPGIQVZOIBIIS-SFHVURJKSA-N 1 0 396.350 4.484 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000047522218 822586880 /nfs/dbraw/zinc/58/68/80/822586880.db2.gz DUVADBSFXHQXQV-GOSISDBHSA-N 1 0 391.515 4.440 20 0 GIADRO C[C@@H]([NH2+]CCC(c1ccccc1)c1ccccc1)c1ccc(S(N)(=O)=O)cc1 ZINC000179968070 822587337 /nfs/dbraw/zinc/58/73/37/822587337.db2.gz VVRJYSHZPDMDKV-GOSISDBHSA-N 1 0 394.540 4.207 20 0 GIADRO Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)Nc2cccc(C[NH+](C)C)c2)c1 ZINC000047538360 822588451 /nfs/dbraw/zinc/58/84/51/822588451.db2.gz OUBPCVMBSUREAU-UHFFFAOYSA-N 1 0 395.532 4.007 20 0 GIADRO Cc1c(NC(=O)CC2(C[NH3+])CCCCC2)cccc1NC(=O)c1ccccc1 ZINC000184162847 822588743 /nfs/dbraw/zinc/58/87/43/822588743.db2.gz ADBQCVAVEACLCT-UHFFFAOYSA-N 1 0 379.504 4.485 20 0 GIADRO O=C(NCCCCC[NH+]1CCCC1)N1CC[C@H](CSc2ccccc2)C1 ZINC000455111545 822590475 /nfs/dbraw/zinc/59/04/75/822590475.db2.gz HHCKBFDYZZFFIZ-IBGZPJMESA-N 1 0 375.582 4.076 20 0 GIADRO Cc1ccccc1NC(=S)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000047567436 822591353 /nfs/dbraw/zinc/59/13/53/822591353.db2.gz LEGZEEYLWXHZNA-HDICACEKSA-N 1 0 383.561 4.091 20 0 GIADRO Cc1ccc(NC(=S)NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)cc1 ZINC000047567480 822591653 /nfs/dbraw/zinc/59/16/53/822591653.db2.gz ITSRVYKSAKJJDZ-QZTJIDSGSA-N 1 0 383.561 4.091 20 0 GIADRO O=S(=O)(c1ccccc1C[NH2+][C@@H](c1ccccc1)C1CC1)N1CCCCC1 ZINC000180003991 822594029 /nfs/dbraw/zinc/59/40/29/822594029.db2.gz WQOPMMQHWVENNZ-QFIPXVFZSA-N 1 0 384.545 4.102 20 0 GIADRO O=C(Nc1cccc(COCc2ccco2)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000047603913 822595904 /nfs/dbraw/zinc/59/59/04/822595904.db2.gz RPHWERNSBQRSDE-UHFFFAOYSA-N 1 0 383.492 4.089 20 0 GIADRO COc1ccc(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1OC(C)C ZINC000184205356 822596060 /nfs/dbraw/zinc/59/60/60/822596060.db2.gz LZYISAZTBMONJU-KRWDZBQOSA-N 1 0 387.480 4.034 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2Cl)cc1OC ZINC000047608845 822596311 /nfs/dbraw/zinc/59/63/11/822596311.db2.gz GDKKGIZJPYUTTI-KGLIPLIRSA-N 1 0 376.884 4.425 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NCc2ccccc2Cl)cc1OC ZINC000047609065 822596491 /nfs/dbraw/zinc/59/64/91/822596491.db2.gz PLIADGKLSXUWER-CABCVRRESA-N 1 0 390.911 4.103 20 0 GIADRO C[C@@H]1C[C@H]1[C@H]([NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1)c1ccc(Cl)cc1 ZINC000180022686 822598513 /nfs/dbraw/zinc/59/85/13/822598513.db2.gz QUBGFKOOYKDOCN-JSNMRZPZSA-N 1 0 392.952 4.077 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)N3CC[C@@H](C(F)(F)F)C[C@H]3C)c2)CC1 ZINC000455157821 822598875 /nfs/dbraw/zinc/59/88/75/822598875.db2.gz MXBCNSJHVZGPCT-HZPDHXFCSA-N 1 0 398.473 4.023 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)C[NH2+][C@H](c2ccc(Cl)cc2)[C@H]2C[C@H]2C)cc1 ZINC000180024009 822599198 /nfs/dbraw/zinc/59/91/98/822599198.db2.gz BNPUDCJSLLWAQH-YIILKADPSA-N 1 0 385.895 4.224 20 0 GIADRO CC(C)CS(=O)(=O)N1CCC([NH2+][C@@H](C)c2cc(Cl)ccc2Cl)CC1 ZINC000180025919 822599567 /nfs/dbraw/zinc/59/95/67/822599567.db2.gz YIBDOOBKOAPGED-ZDUSSCGKSA-N 1 0 393.380 4.094 20 0 GIADRO CC(C)C(=O)Nc1ccc(C[NH2+][C@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)cc1 ZINC000180030134 822600782 /nfs/dbraw/zinc/60/07/82/822600782.db2.gz YMUSKGAOLWTWBY-HKUYNNGSSA-N 1 0 389.540 4.064 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)NC[C@H]2CCCCC2(F)F)[C@@H]1c1cccs1 ZINC000455170676 822601176 /nfs/dbraw/zinc/60/11/76/822601176.db2.gz OPFXFVHPSYRPOT-BFYDXBDKSA-N 1 0 385.524 4.256 20 0 GIADRO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@H](C)c1ccc2c(c1)NC(=O)CO2)CC3 ZINC000180043936 822603327 /nfs/dbraw/zinc/60/33/27/822603327.db2.gz VELFTTXSPCTNHE-ZBFHGGJFSA-N 1 0 375.472 4.015 20 0 GIADRO CCCC(=O)Nc1cccc(NC(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000047716398 822603515 /nfs/dbraw/zinc/60/35/15/822603515.db2.gz VQTHHRSNPSAFDW-QZTJIDSGSA-N 1 0 388.556 4.305 20 0 GIADRO O=C(CCCOc1ccccc1)Nc1ccc(C[NH2+]Cc2ccccn2)cc1 ZINC000047717966 822603697 /nfs/dbraw/zinc/60/36/97/822603697.db2.gz AJCWPDMROZTPOU-UHFFFAOYSA-N 1 0 375.472 4.169 20 0 GIADRO COc1ccc([C@@H](O)C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180048141 822603936 /nfs/dbraw/zinc/60/39/36/822603936.db2.gz SHCNGUAVXKKUCH-FCHUYYIVSA-N 1 0 378.428 4.016 20 0 GIADRO COc1ccccc1S(=O)(=O)CCC[NH2+][C@H](c1ccc(F)cc1)C1CCC1 ZINC000184254960 822603980 /nfs/dbraw/zinc/60/39/80/822603980.db2.gz ZIZSKHMSKPOVML-NRFANRHFSA-N 1 0 391.508 4.129 20 0 GIADRO C[C@H](NCc1ccc(-n2ccnc2)c(F)c1)c1nc2ccc(Cl)cc2n1C ZINC000180049849 822604444 /nfs/dbraw/zinc/60/44/44/822604444.db2.gz PJXNJNZWQUNZAA-ZDUSSCGKSA-N 1 0 383.858 4.402 20 0 GIADRO C[C@H](CNC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1nccs1 ZINC000184258114 822604531 /nfs/dbraw/zinc/60/45/31/822604531.db2.gz SWUBISIOBOAVKU-RHSMWYFYSA-N 1 0 392.956 4.036 20 0 GIADRO C[C@H](C[S@@](C)=O)[NH2+]Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 ZINC000184269923 822606312 /nfs/dbraw/zinc/60/63/12/822606312.db2.gz OJTAFVZVNRGUMC-WVDZOPJMSA-N 1 0 393.512 4.142 20 0 GIADRO CCNC(=O)c1cccc(C[NH2+][C@H](c2ccc(Br)cc2)C2CC2)c1 ZINC000180060741 822606414 /nfs/dbraw/zinc/60/64/14/822606414.db2.gz UUJPFJUGXJUXCE-IBGZPJMESA-N 1 0 387.321 4.440 20 0 GIADRO Cc1ccc([C@@H]([NH2+]Cc2ccc(S(=O)(=O)N3CCCC3)cc2)C2CC2)cc1 ZINC000180061102 822606416 /nfs/dbraw/zinc/60/64/16/822606416.db2.gz QRNKVJXALFOBIG-JOCHJYFZSA-N 1 0 384.545 4.020 20 0 GIADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)Nc1ccc(-n2cccn2)c(F)c1 ZINC000047767395 822608059 /nfs/dbraw/zinc/60/80/59/822608059.db2.gz OATAWMOZVNNFLC-SFHVURJKSA-N 1 0 399.495 4.032 20 0 GIADRO O=C1CCCN1C[C@H]([NH2+]Cc1ccc(F)c(Br)c1)c1ccccc1 ZINC000047794610 822609481 /nfs/dbraw/zinc/60/94/81/822609481.db2.gz PAZUHQDGMNPCKE-SFHVURJKSA-N 1 0 391.284 4.042 20 0 GIADRO C[C@H](NCc1ccccc1OCC[NH+](C)C)c1nc2ccc(Cl)cc2n1C ZINC000180072485 822609662 /nfs/dbraw/zinc/60/96/62/822609662.db2.gz VVGLHUVASXNKRM-HNNXBMFYSA-N 1 0 386.927 4.018 20 0 GIADRO C[N@H+](CCCCNC(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F)C1CC1 ZINC000455211775 822609665 /nfs/dbraw/zinc/60/96/65/822609665.db2.gz SNYZHEXEQQFPIH-OAHLLOKOSA-N 1 0 377.838 4.117 20 0 GIADRO O=C(c1cc(F)ccc1F)C1CC[NH+](Cc2ccc(-n3cccn3)cc2)CC1 ZINC000047797245 822609743 /nfs/dbraw/zinc/60/97/43/822609743.db2.gz MYMXNYHWYCVZNU-UHFFFAOYSA-N 1 0 381.426 4.245 20 0 GIADRO O=C(c1cc(F)ccc1F)C1CC[NH+](C[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000047798043 822609969 /nfs/dbraw/zinc/60/99/69/822609969.db2.gz JVRMOCPNWDVAFP-LJQANCHMSA-N 1 0 379.834 4.247 20 0 GIADRO CC[NH+](CC)CCn1ccc2cc(NC(=O)c3cnn(C(C)C)c3C)ccc21 ZINC000180081468 822611474 /nfs/dbraw/zinc/61/14/74/822611474.db2.gz JQIRXRIYPNHFJU-UHFFFAOYSA-N 1 0 381.524 4.321 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000180085967 822612286 /nfs/dbraw/zinc/61/22/86/822612286.db2.gz GGURNXOLXZPDLZ-GFCCVEGCSA-N 1 0 397.445 4.007 20 0 GIADRO COc1cc([C@H](C)[NH2+]CC(=O)Nc2ccc(F)cc2F)ccc1OCC(C)C ZINC000180088415 822612866 /nfs/dbraw/zinc/61/28/66/822612866.db2.gz TYQXMRFXCSWAQZ-AWEZNQCLSA-N 1 0 392.446 4.298 20 0 GIADRO CC(=O)Nc1ccc([C@@H](C)[NH2+]CC2(C)CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000184315755 822613272 /nfs/dbraw/zinc/61/32/72/822613272.db2.gz XZOKTQUPVOFSKV-MRXNPFEDSA-N 1 0 389.540 4.333 20 0 GIADRO C[C@H](NC(=O)NC[C@H](c1cccs1)[NH+](C)C)c1ccc(C(F)(F)F)cc1 ZINC000047833997 822613475 /nfs/dbraw/zinc/61/34/75/822613475.db2.gz QFMBHKJUANQLOI-SWLSCSKDSA-N 1 0 385.455 4.430 20 0 GIADRO C[NH+](C)Cc1c2ccccc2oc1C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000180095815 822614458 /nfs/dbraw/zinc/61/44/58/822614458.db2.gz AENXFOHFMBBQOB-MRXNPFEDSA-N 1 0 397.906 4.157 20 0 GIADRO C[NH+](C)Cc1c2ccccc2oc1C(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000180095835 822614474 /nfs/dbraw/zinc/61/44/74/822614474.db2.gz AENXFOHFMBBQOB-INIZCTEOSA-N 1 0 397.906 4.157 20 0 GIADRO COc1ccc2oc([C@@H](C)[NH2+]CC(=O)Nc3ccc(OC)cc3OC)c(C)c2c1 ZINC000184320628 822614487 /nfs/dbraw/zinc/61/44/87/822614487.db2.gz KMTPHVDCAQLKHB-CQSZACIVSA-N 1 0 398.459 4.056 20 0 GIADRO Cc1cc2cc[nH]c2cc1NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000455238359 822614998 /nfs/dbraw/zinc/61/49/98/822614998.db2.gz ZEJXNSYWZDHKQL-QGZVFWFLSA-N 1 0 376.504 4.462 20 0 GIADRO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)[C@@H]1c1ccccc1 ZINC000180099554 822615307 /nfs/dbraw/zinc/61/53/07/822615307.db2.gz JSYCPQPJASVEIC-PKTZIBPZSA-N 1 0 399.494 4.114 20 0 GIADRO C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000184331065 822616531 /nfs/dbraw/zinc/61/65/31/822616531.db2.gz VCMBMPNGEWVSCV-IRXDYDNUSA-N 1 0 378.944 4.177 20 0 GIADRO COc1ccc2oc([C@@H](C)[NH2+][C@H](C)C(=O)Nc3cccnc3Cl)c(C)c2c1 ZINC000184330937 822616642 /nfs/dbraw/zinc/61/66/42/822616642.db2.gz LYCLXAMDINQHEX-CHWSQXEVSA-N 1 0 387.867 4.476 20 0 GIADRO COc1ccc2oc([C@H](C)[NH2+][C@@H](C)C(=O)NCc3ccccc3OC)c(C)c2c1 ZINC000184332645 822617100 /nfs/dbraw/zinc/61/71/00/822617100.db2.gz TXDZSDXJVNSSHO-HOTGVXAUSA-N 1 0 396.487 4.114 20 0 GIADRO O=C(Nc1ccc(Cl)c(OC(F)F)c1)NC1CC[NH+](C2CCCC2)CC1 ZINC000180109831 822617250 /nfs/dbraw/zinc/61/72/50/822617250.db2.gz UFFWUZCKXHUYPH-UHFFFAOYSA-N 1 0 387.858 4.470 20 0 GIADRO COc1cc(-c2noc(C[N@H+](CCC(C)C)C3CC3)n2)ccc1OC(F)F ZINC000047912141 822618829 /nfs/dbraw/zinc/61/88/29/822618829.db2.gz FPIUDGQMTLHOQW-UHFFFAOYSA-N 1 0 381.423 4.357 20 0 GIADRO CC(C)c1c(NC(=O)NC(C)(C)C[NH+](C)C)cnn1-c1ccccc1Cl ZINC000455255224 822618909 /nfs/dbraw/zinc/61/89/09/822618909.db2.gz ARCFVYVVJPQOHM-UHFFFAOYSA-N 1 0 377.920 4.111 20 0 GIADRO CC[C@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl)c1nc(C)cs1 ZINC000184350487 822620429 /nfs/dbraw/zinc/62/04/29/822620429.db2.gz RNTDEKYKODJASU-JSGCOSHPSA-N 1 0 375.321 4.239 20 0 GIADRO CC[C@H](C)n1ncc(NC(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)c1C ZINC000455263228 822620819 /nfs/dbraw/zinc/62/08/19/822620819.db2.gz NMEOEYGRIOMLDF-KRWDZBQOSA-N 1 0 383.540 4.339 20 0 GIADRO C[C@H](NC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)c1cccc(OC(F)F)c1 ZINC000047936030 822620836 /nfs/dbraw/zinc/62/08/36/822620836.db2.gz NBHIGUVTVKTIFN-SCLBCKFNSA-N 1 0 395.425 4.090 20 0 GIADRO C[C@@H](NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)c1nc2ccccc2n1C ZINC000180126406 822620941 /nfs/dbraw/zinc/62/09/41/822620941.db2.gz NLDVHCPPOUUWIE-RBUKOAKNSA-N 1 0 392.547 4.124 20 0 GIADRO CCc1ccc([C@H](CNC(=O)NCc2ncc(-c3ccccc3)o2)[NH+](C)C)cc1 ZINC000047937694 822621122 /nfs/dbraw/zinc/62/11/22/822621122.db2.gz RENXNIVZZCVMFE-FQEVSTJZSA-N 1 0 392.503 4.006 20 0 GIADRO COc1cccc([C@H](CNC(=O)N[C@@H](C)c2ccc(SC)cc2)[NH+](C)C)c1 ZINC000047937235 822621178 /nfs/dbraw/zinc/62/11/78/822621178.db2.gz DCHAAFAJCUKCSI-YWZLYKJASA-N 1 0 387.549 4.080 20 0 GIADRO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[NH2+][C@@H](C)c1cc2ccccc2s1 ZINC000184356802 822621384 /nfs/dbraw/zinc/62/13/84/822621384.db2.gz AANGQZLGKOKHBM-KSSFIOAISA-N 1 0 399.512 4.203 20 0 GIADRO COc1ccc(CNC(=O)[C@@H](C)[NH2+][C@H](C)c2cc3ccccc3s2)cc1OC ZINC000184357461 822621537 /nfs/dbraw/zinc/62/15/37/822621537.db2.gz SBBZZHUBZNZYTB-HUUCEWRRSA-N 1 0 398.528 4.274 20 0 GIADRO Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)NCC[NH+]1CCC(C)CC1 ZINC000047948721 822622131 /nfs/dbraw/zinc/62/21/31/822622131.db2.gz RGFQFVIPSSCPBE-UHFFFAOYSA-N 1 0 394.519 4.101 20 0 GIADRO CC(C)(C)OC(=O)c1cccc(C[N@@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)c1 ZINC000180132141 822622355 /nfs/dbraw/zinc/62/23/55/822622355.db2.gz XMWSVHSJPQGDGQ-GOSISDBHSA-N 1 0 388.552 4.016 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1ccnn1Cc1cccs1)c1cc2ccccc2s1 ZINC000184362329 822622465 /nfs/dbraw/zinc/62/24/65/822622465.db2.gz OLZUGLZSBLWNHR-CQSZACIVSA-N 1 0 396.541 4.497 20 0 GIADRO CC[NH+](CC)CC1CCN(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000047977642 822623614 /nfs/dbraw/zinc/62/36/14/822623614.db2.gz WDRWLPQABXLYOQ-UHFFFAOYSA-N 1 0 396.457 4.309 20 0 GIADRO CCOc1ccccc1[C@@H](CC(C)C)[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000180139969 822624560 /nfs/dbraw/zinc/62/45/60/822624560.db2.gz FLKNYHXNKQHTBR-OXQOHEQNSA-N 1 0 390.549 4.171 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(Cl)cc2OC(F)F)[C@H](C)C1 ZINC000184379018 822624963 /nfs/dbraw/zinc/62/49/63/822624963.db2.gz IQBHMVIHLMAQPN-RISCZKNCSA-N 1 0 375.847 4.135 20 0 GIADRO Cc1cncc([C@H](C)[NH2+][C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)c1 ZINC000184388122 822626579 /nfs/dbraw/zinc/62/65/79/822626579.db2.gz AWJFMQCEIFBRNA-WFASDCNBSA-N 1 0 384.833 4.387 20 0 GIADRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)N[C@H]1CCCc2sccc21 ZINC000184388089 822626601 /nfs/dbraw/zinc/62/66/01/822626601.db2.gz CZUXDRWGBOLZQE-FQEVSTJZSA-N 1 0 383.561 4.132 20 0 GIADRO Cc1cncc([C@@H](C)[NH2+][C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)c1 ZINC000184388070 822626646 /nfs/dbraw/zinc/62/66/46/822626646.db2.gz AWJFMQCEIFBRNA-IUODEOHRSA-N 1 0 384.833 4.387 20 0 GIADRO COc1cc(C)cc(NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)c1C ZINC000455285049 822627204 /nfs/dbraw/zinc/62/72/04/822627204.db2.gz QACCAQZIONWHGE-UHFFFAOYSA-N 1 0 387.446 4.193 20 0 GIADRO Cc1ccccc1[C@H]1CCCN1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000048055650 822627745 /nfs/dbraw/zinc/62/77/45/822627745.db2.gz BQPLPERFEYBLIX-HSZRJFAPSA-N 1 0 392.547 4.424 20 0 GIADRO CC[C@@H](NCC1(C[NH2+][C@H](CC)c2nc(C)cs2)COC1)c1nc(C)cs1 ZINC000184398820 822628383 /nfs/dbraw/zinc/62/83/83/822628383.db2.gz QSFNANXRANWCCN-HZPDHXFCSA-N 1 0 394.610 4.015 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCN(C(=O)C2CCCCC2)C1)c1nc2ccc(Cl)cc2n1C ZINC000180155166 822628654 /nfs/dbraw/zinc/62/86/54/822628654.db2.gz KKFMYIOBYOAKBT-PBHICJAKSA-N 1 0 388.943 4.059 20 0 GIADRO COCc1ccccc1NC(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000048078651 822629785 /nfs/dbraw/zinc/62/97/85/822629785.db2.gz BGWSTWURVDXBQV-NRFANRHFSA-N 1 0 397.519 4.190 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1cccc(OCC(F)(F)F)c1)c1ccc(F)cc1 ZINC000048076823 822629837 /nfs/dbraw/zinc/62/98/37/822629837.db2.gz BQMPENRZSVNWFR-QGZVFWFLSA-N 1 0 399.388 4.191 20 0 GIADRO Cc1c(Br)ccc(NC(=O)NC2CC[NH+](C3CCC3)CC2)c1F ZINC000455295875 822630056 /nfs/dbraw/zinc/63/00/56/822630056.db2.gz FUQRFFTZAKIMOG-UHFFFAOYSA-N 1 0 384.293 4.035 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)NCCC[C@@H]2CCCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000184412739 822630429 /nfs/dbraw/zinc/63/04/29/822630429.db2.gz MYEKULUDMGUDSX-NNWRFLSQSA-N 1 0 387.568 4.030 20 0 GIADRO C[C@H](CNC(=O)Nc1cccc(COCc2ccco2)c1)C[NH+]1CCCCC1 ZINC000048084835 822630528 /nfs/dbraw/zinc/63/05/28/822630528.db2.gz OZRLDAUBGDYSQQ-GOSISDBHSA-N 1 0 385.508 4.240 20 0 GIADRO COc1cc(NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)c(C)cc1C ZINC000455340174 822637119 /nfs/dbraw/zinc/63/71/19/822637119.db2.gz ATPOVUFFWHUVNT-UHFFFAOYSA-N 1 0 387.446 4.193 20 0 GIADRO Cc1cnc([C@H](C)CNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)s1 ZINC000184459736 822639146 /nfs/dbraw/zinc/63/91/46/822639146.db2.gz WPYNOTUDGSWWNP-MRXNPFEDSA-N 1 0 386.565 4.040 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000180216731 822641210 /nfs/dbraw/zinc/64/12/10/822641210.db2.gz UDWQADJJXIXLRE-RPWUZVMVSA-N 1 0 385.511 4.371 20 0 GIADRO Cc1ccc(C(=O)CCC(=O)CCC(=O)Nc2ccccc2C[NH+](C)C)s1 ZINC000048169122 822641724 /nfs/dbraw/zinc/64/17/24/822641724.db2.gz ATOXYAYWRNFQEW-UHFFFAOYSA-N 1 0 386.517 4.069 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000180220524 822641876 /nfs/dbraw/zinc/64/18/76/822641876.db2.gz HQTIIAOOQMGLGN-RPWUZVMVSA-N 1 0 385.511 4.371 20 0 GIADRO Cc1nc(-c2cccc(C(=O)NCC3CCN(c4cc[nH+]cc4)CC3)c2)cs1 ZINC000180221036 822641975 /nfs/dbraw/zinc/64/19/75/822641975.db2.gz CSVHVKNZYSOZJL-UHFFFAOYSA-N 1 0 392.528 4.160 20 0 GIADRO COc1ccc([C@@H](C)NC(=O)NCc2ccccc2C[N@H+](C)C(C)C)cc1F ZINC000048176875 822642458 /nfs/dbraw/zinc/64/24/58/822642458.db2.gz ZVDGMPZIKQNYHR-MRXNPFEDSA-N 1 0 387.499 4.235 20 0 GIADRO C[C@@H](c1ccc(C(=O)NCc2cccc(OCC[NH+](C)C)c2)cc1)C(F)(F)F ZINC000455374567 822642730 /nfs/dbraw/zinc/64/27/30/822642730.db2.gz WELPFNMKZMBSIM-HNNXBMFYSA-N 1 0 394.437 4.223 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1ccc(Br)cc1Cl)Cc1ccccc1 ZINC000048184194 822643045 /nfs/dbraw/zinc/64/30/45/822643045.db2.gz LOWXADAJEKTTMW-OAHLLOKOSA-N 1 0 395.728 4.005 20 0 GIADRO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1c(F)cccc1Br ZINC000180230548 822644470 /nfs/dbraw/zinc/64/44/70/822644470.db2.gz VTYPZMSIOYLKQA-UHFFFAOYSA-N 1 0 391.284 4.479 20 0 GIADRO Cc1ccc(Cc2ccccn2)cc1NC(=O)NCCCCC[NH+]1CCCC1 ZINC000455397295 822646359 /nfs/dbraw/zinc/64/63/59/822646359.db2.gz UIRCYJLIGSWCEA-UHFFFAOYSA-N 1 0 380.536 4.368 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CSCc2cccnc2)cc1 ZINC000048227558 822647084 /nfs/dbraw/zinc/64/70/84/822647084.db2.gz NHNDZSBVFMYXBA-GOSISDBHSA-N 1 0 383.561 4.006 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)Cc1csc(-c2cccc(F)c2)n1 ZINC000048236988 822647334 /nfs/dbraw/zinc/64/73/34/822647334.db2.gz WEBMXXUIJKJSSR-INIZCTEOSA-N 1 0 389.540 4.263 20 0 GIADRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+]CC(=O)N(C)CC1CC1 ZINC000184511315 822648213 /nfs/dbraw/zinc/64/82/13/822648213.db2.gz QMWMQNZMKYFPOD-GFCCVEGCSA-N 1 0 377.941 4.291 20 0 GIADRO CC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(-n3ccnc3)cc2)c2ccc(F)cc2C1 ZINC000184511262 822648226 /nfs/dbraw/zinc/64/82/26/822648226.db2.gz SZALXXBPCHQRAG-MWTRTKDXSA-N 1 0 392.478 4.156 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)COCc1ccccc1F)c1nc(-c2ccccc2)cs1 ZINC000184515571 822648790 /nfs/dbraw/zinc/64/87/90/822648790.db2.gz XPVSUILHMPURTR-YJBOKZPZSA-N 1 0 386.492 4.178 20 0 GIADRO CCC(=O)Nc1ccc(C)c(NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000048257159 822649291 /nfs/dbraw/zinc/64/92/91/822649291.db2.gz NCJADWVZMIRHNB-NRFANRHFSA-N 1 0 394.519 4.302 20 0 GIADRO CCCc1c(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)cnn1-c1cccc(F)c1 ZINC000184517282 822649524 /nfs/dbraw/zinc/64/95/24/822649524.db2.gz FXEIGGUUBNIUDL-IBGZPJMESA-N 1 0 399.514 4.056 20 0 GIADRO O=C(Nc1cc(Cl)ccc1C(F)(F)F)NC1CC[NH+](C2CCC2)CC1 ZINC000455418174 822650065 /nfs/dbraw/zinc/65/00/65/822650065.db2.gz XVUABORQRMYADB-UHFFFAOYSA-N 1 0 375.822 4.497 20 0 GIADRO O=C(CCCc1ccc(Cl)c(Cl)c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000048269923 822650286 /nfs/dbraw/zinc/65/02/86/822650286.db2.gz PHNDMHORCOCKNG-UHFFFAOYSA-N 1 0 378.303 4.060 20 0 GIADRO C[N@H+](Cc1ccco1)Cc1ccccc1CNCc1ccn(-c2ccccc2)n1 ZINC000180263839 822650643 /nfs/dbraw/zinc/65/06/43/822650643.db2.gz OWKYBUPECQONEH-UHFFFAOYSA-N 1 0 386.499 4.387 20 0 GIADRO Cc1nc(-c2cc3c(s2)CCN(C(=O)C2CC[NH+](C(C)C)CC2)C3)cs1 ZINC000180268969 822651810 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382.464 4.448 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000455504229 822667448 /nfs/dbraw/zinc/66/74/48/822667448.db2.gz QGLCKFDGPXIFQY-DEOSSOPVSA-N 1 0 389.543 4.361 20 0 GIADRO COc1cc([C@@H](C)[NH2+]C2(c3ccc(Cl)cc3)CCC2)ccc1S(C)(=O)=O ZINC000180354053 822668985 /nfs/dbraw/zinc/66/89/85/822668985.db2.gz AWZIQQFOSWTOQU-CQSZACIVSA-N 1 0 393.936 4.482 20 0 GIADRO CCOc1cccc2cc([C@@H](C)[NH2+]CC(=O)Nc3cccc(NC(C)=O)c3)oc21 ZINC000180357155 822669664 /nfs/dbraw/zinc/66/96/64/822669664.db2.gz FUHHMMBXOFZJFU-CQSZACIVSA-N 1 0 395.459 4.079 20 0 GIADRO CN(C)C(=O)CC[NH2+][C@@H](c1ccc(Cl)cc1)c1ccc(OC(F)F)cc1 ZINC000180356928 822669686 /nfs/dbraw/zinc/66/96/86/822669686.db2.gz LYWCDDOEZYVGNS-SFHVURJKSA-N 1 0 382.838 4.099 20 0 GIADRO CCOc1cccc2cc([C@H](C)[NH2+]CC(=O)N[C@@H]3CCOc4ccccc43)oc21 ZINC000180359989 822670055 /nfs/dbraw/zinc/67/00/55/822670055.db2.gz MAWRZDTUAKEKQM-MAUKXSAKSA-N 1 0 394.471 4.122 20 0 GIADRO CC(C)Oc1ccc(-c2ccc(NC(=O)N3CCC[N@H+](C)CC3)c(F)c2)cc1 ZINC000455523017 822670319 /nfs/dbraw/zinc/67/03/19/822670319.db2.gz ZEEZKWJCKRXART-UHFFFAOYSA-N 1 0 385.483 4.449 20 0 GIADRO COc1ccc(NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)c(C(F)(F)F)c1 ZINC000048549222 822671335 /nfs/dbraw/zinc/67/13/35/822671335.db2.gz PRTFZSLRBFLFGV-AWEZNQCLSA-N 1 0 387.446 4.490 20 0 GIADRO C[C@H]1CN(C(=O)Nc2cc(F)cc(F)c2F)CC[N@H+](Cc2ccccc2)C1 ZINC000455544507 822672843 /nfs/dbraw/zinc/67/28/43/822672843.db2.gz OWQUISPFLBIGQP-CQSZACIVSA-N 1 0 377.410 4.090 20 0 GIADRO CCCC[C@@H]([NH2+][C@H](C)c1c[nH]nc1C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000180380322 822672904 /nfs/dbraw/zinc/67/29/04/822672904.db2.gz UZETZTLLJKWCNL-IIBYNOLFSA-N 1 0 383.540 4.166 20 0 GIADRO CCCC[C@@H]([NH2+][C@@H](C)c1c[nH]nc1C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000180380285 822672938 /nfs/dbraw/zinc/67/29/38/822672938.db2.gz UZETZTLLJKWCNL-HRAATJIYSA-N 1 0 383.540 4.166 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)N1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000455546204 822673127 /nfs/dbraw/zinc/67/31/27/822673127.db2.gz BAYROARTUPDQQM-UHFFFAOYSA-N 1 0 389.490 4.171 20 0 GIADRO COc1cc([C@@H](C)[NH2+]CC[C@H]2C(=O)Nc3ccccc32)ccc1OC(F)F ZINC000180392997 822674760 /nfs/dbraw/zinc/67/47/60/822674760.db2.gz IDCVQIDZXPPMOU-IUODEOHRSA-N 1 0 376.403 4.073 20 0 GIADRO COc1cc([C@H](C)[NH2+]CC[C@@H]2C(=O)Nc3ccccc32)ccc1OC(F)F ZINC000180393013 822674824 /nfs/dbraw/zinc/67/48/24/822674824.db2.gz IDCVQIDZXPPMOU-WFASDCNBSA-N 1 0 376.403 4.073 20 0 GIADRO C[C@@H]1CCN(C(=O)Nc2cc(F)cc(F)c2F)CC[N@@H+]1Cc1ccccc1 ZINC000455565078 822675420 /nfs/dbraw/zinc/67/54/20/822675420.db2.gz KPNCXPXJDFSLPJ-CQSZACIVSA-N 1 0 377.410 4.232 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)Nc2cc(F)cc(F)c2F)CC[N@@H+]1Cc1ccccc1 ZINC000455568608 822675969 /nfs/dbraw/zinc/67/59/69/822675969.db2.gz RNRZKXWJPHYKNL-CZUORRHYSA-N 1 0 377.410 4.279 20 0 GIADRO CCOc1ccc([C@H]([NH2+][C@@H]2CCc3nc(C)nn3C2)c2ccccc2Cl)cc1 ZINC000180408404 822676622 /nfs/dbraw/zinc/67/66/22/822676622.db2.gz LEDRLYONUAKPFQ-VGSWGCGISA-N 1 0 396.922 4.333 20 0 GIADRO Cc1cc(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)nn1-c1ccc(C)cc1 ZINC000180409540 822676898 /nfs/dbraw/zinc/67/68/98/822676898.db2.gz VXUOGXNITVJMAZ-FPOVZHCZSA-N 1 0 394.563 4.216 20 0 GIADRO O=C(c1ccc(C[NH2+][C@@H]2CCCOc3ccc(F)cc32)cc1)N1CCCCC1 ZINC000180410091 822677089 /nfs/dbraw/zinc/67/70/89/822677089.db2.gz YADXNBMBCCZLFV-OAQYLSRUSA-N 1 0 382.479 4.455 20 0 GIADRO CCc1nc2c(s1)[C@H]([NH2+]Cc1ccc(C(=O)N3CCCCC3)cc1)CCC2 ZINC000180411196 822677270 /nfs/dbraw/zinc/67/72/70/822677270.db2.gz SFPJMFOISPAUHU-GOSISDBHSA-N 1 0 383.561 4.499 20 0 GIADRO COc1ccc([C@@H]([NH2+]CCCc2nnc3n2CCCCC3)c2ccccc2)cc1 ZINC000180412621 822677540 /nfs/dbraw/zinc/67/75/40/822677540.db2.gz YXIHKYSJCDWDLV-DEOSSOPVSA-N 1 0 390.531 4.325 20 0 GIADRO C[C@@H](CC(=O)NCc1ccc(F)c(C[NH+](C)C)c1)C(=O)c1ccc(Cl)cc1 ZINC000180415786 822677872 /nfs/dbraw/zinc/67/78/72/822677872.db2.gz QSBXBBCYTQMYCG-AWEZNQCLSA-N 1 0 390.886 4.066 20 0 GIADRO CCCC[C@H]1CCC[C@H]1[NH2+]Cc1nc(C(C)(C)NC(=O)OC(C)(C)C)no1 ZINC000184696574 822678115 /nfs/dbraw/zinc/67/81/15/822678115.db2.gz BHGNKWCZXNYVMZ-LSDHHAIUSA-N 1 0 380.533 4.278 20 0 GIADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1cc2ccccc2nc1C ZINC000455584816 822678611 /nfs/dbraw/zinc/67/86/11/822678611.db2.gz ZQRHFQRRUOIKMS-OAQYLSRUSA-N 1 0 388.515 4.065 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)C1(c2ccc(F)cc2)CC1 ZINC000180422228 822678903 /nfs/dbraw/zinc/67/89/03/822678903.db2.gz BUEIIUOQVBBYQX-UHFFFAOYSA-N 1 0 381.495 4.017 20 0 GIADRO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]Cc1cccnc1-n1ccnc1 ZINC000048711387 822679170 /nfs/dbraw/zinc/67/91/70/822679170.db2.gz ICEWUWBOMAUTBF-UHFFFAOYSA-N 1 0 392.894 4.013 20 0 GIADRO COc1cc([C@H](C)[NH2+]Cc2cnc(-c3ccccc3)nc2)cc(OC)c1OC ZINC000048713637 822679452 /nfs/dbraw/zinc/67/94/52/822679452.db2.gz NVNXZDBEAHVQOK-HNNXBMFYSA-N 1 0 379.460 4.020 20 0 GIADRO COc1cc(C[NH2+]C2CCC3(CC2)OCCO3)ccc1OCc1cccs1 ZINC000048715578 822679677 /nfs/dbraw/zinc/67/96/77/822679677.db2.gz KEIYRMAVNAVNJZ-UHFFFAOYSA-N 1 0 389.517 4.111 20 0 GIADRO O=C(NCC[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1)c1cccs1 ZINC000048715830 822679683 /nfs/dbraw/zinc/67/96/83/822679683.db2.gz HQAGEISRZIMUJX-UHFFFAOYSA-N 1 0 383.498 4.137 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1sccc1OC(F)F ZINC000180429514 822680239 /nfs/dbraw/zinc/68/02/39/822680239.db2.gz ZOWCDHGQOGNVIO-UHFFFAOYSA-N 1 0 395.475 4.123 20 0 GIADRO CCOc1cc(C[NH2+][C@@H](C)c2ccc(C)cc2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000048751817 822681368 /nfs/dbraw/zinc/68/13/68/822681368.db2.gz LSZQKNLFYJTMIS-ROUUACIJSA-N 1 0 384.520 4.100 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1Cl)c1ccc(-n2cccn2)cc1 ZINC000180436822 822681779 /nfs/dbraw/zinc/68/17/79/822681779.db2.gz DUFOVMBETHVMFO-ZDUSSCGKSA-N 1 0 389.286 4.468 20 0 GIADRO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCc1cc(F)cc2c1OCOC2)CC3 ZINC000180437584 822681921 /nfs/dbraw/zinc/68/19/21/822681921.db2.gz RZYDJEUAKMGYTG-GOSISDBHSA-N 1 0 380.463 4.172 20 0 GIADRO CC(C)Oc1cccc(CC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000180438166 822681933 /nfs/dbraw/zinc/68/19/33/822681933.db2.gz BABZOHXKFUCQBD-UHFFFAOYSA-N 1 0 395.547 4.176 20 0 GIADRO COc1ccc(C[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c(OC)c1 ZINC000048776977 822682438 /nfs/dbraw/zinc/68/24/38/822682438.db2.gz ULSVYSCPBIKURU-UHFFFAOYSA-N 1 0 391.393 4.198 20 0 GIADRO CN(C)[C@H](C[NH2+]Cc1ccccc1OCc1cccnc1)c1ccc(F)cc1 ZINC000048777776 822682456 /nfs/dbraw/zinc/68/24/56/822682456.db2.gz KCEWCXJDDRTDHF-JOCHJYFZSA-N 1 0 379.479 4.192 20 0 GIADRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)N[C@H](c1ccccc1)C(F)F ZINC000455603246 822682521 /nfs/dbraw/zinc/68/25/21/822682521.db2.gz SFMUYDGWYNURLH-MAUKXSAKSA-N 1 0 393.503 4.266 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)NC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)c1 ZINC000048778841 822682609 /nfs/dbraw/zinc/68/26/09/822682609.db2.gz PHXJZQZTIDYOMO-KRWDZBQOSA-N 1 0 396.535 4.046 20 0 GIADRO COc1ccccc1SC[C@@H](C)C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000180445586 822683367 /nfs/dbraw/zinc/68/33/67/822683367.db2.gz KRFWWRUIWUZLIU-HOTGVXAUSA-N 1 0 393.574 4.178 20 0 GIADRO COc1cc(OC)c([C@@H](C)[NH2+]CCOc2cccc(NC(C)=O)c2)cc1Cl ZINC000180447688 822683773 /nfs/dbraw/zinc/68/37/73/822683773.db2.gz DANCUUOFIFYZOP-CYBMUJFWSA-N 1 0 392.883 4.045 20 0 GIADRO C[C@H](Cc1cccc(F)c1)C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180451664 822684667 /nfs/dbraw/zinc/68/46/67/822684667.db2.gz WJCWKWIIQCJIBJ-GOSISDBHSA-N 1 0 383.511 4.164 20 0 GIADRO COc1ccccc1/C(C)=C/C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180451412 822684731 /nfs/dbraw/zinc/68/47/31/822684731.db2.gz ZIMPYYOTFZJBIY-VHEBQXMUSA-N 1 0 393.531 4.259 20 0 GIADRO COCc1cccc(CNC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000048828238 822684946 /nfs/dbraw/zinc/68/49/46/822684946.db2.gz CHQPBAWRVJIWBH-IBGZPJMESA-N 1 0 395.547 4.064 20 0 GIADRO O=C(N[C@H](c1ccccc1)C(F)F)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000455623240 822685736 /nfs/dbraw/zinc/68/57/36/822685736.db2.gz MEJQPCHPKZBNKG-PWRODBHTSA-N 1 0 399.485 4.156 20 0 GIADRO O=C(N[C@H](c1ccccc1)C(F)F)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000455623233 822685785 /nfs/dbraw/zinc/68/57/85/822685785.db2.gz MEJQPCHPKZBNKG-PCCBWWKXSA-N 1 0 399.485 4.156 20 0 GIADRO O=C(Nc1cccc(C2CC2)n1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000455623800 822685852 /nfs/dbraw/zinc/68/58/52/822685852.db2.gz WYURTGCLOCXWKD-RBBKRZOGSA-N 1 0 390.531 4.477 20 0 GIADRO O=C(Nc1cccc(C2CC2)n1)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000455625620 822686151 /nfs/dbraw/zinc/68/61/51/822686151.db2.gz MJJLLZPIIRSUAM-QHCPKHFHSA-N 1 0 376.504 4.089 20 0 GIADRO Cc1ccc2c(c1)[nH]cc2C1=CCN(C(=O)NCCCC[N@@H+](C)C2CC2)CC1 ZINC000455627133 822686195 /nfs/dbraw/zinc/68/61/95/822686195.db2.gz ZLWNEVIOJMRCET-UHFFFAOYSA-N 1 0 380.536 4.149 20 0 GIADRO C[N@H+](CCCCNC(=O)N1CCC(c2c[nH]c3ccc(F)cc32)CC1)C1CC1 ZINC000455627200 822686326 /nfs/dbraw/zinc/68/63/26/822686326.db2.gz ZQFOHZPBGFATFG-UHFFFAOYSA-N 1 0 386.515 4.070 20 0 GIADRO COc1cc([C@H](C)[NH2+]CCCc2cccc(Cl)c2)ccc1S(C)(=O)=O ZINC000180463290 822686587 /nfs/dbraw/zinc/68/65/87/822686587.db2.gz UXIKCZRTALOLAL-AWEZNQCLSA-N 1 0 381.925 4.036 20 0 GIADRO COc1cccc2[nH]cc(CC[NH2+]C3C[C@H]4CC[C@@H](C3)N4C(=O)OC(C)(C)C)c21 ZINC000180463184 822686589 /nfs/dbraw/zinc/68/65/89/822686589.db2.gz OLWVUMMVMBDEPS-AYHJJNSGSA-N 1 0 399.535 4.239 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)Nc2cc(Cl)ccc2OC(F)(F)F)CC[N@@H+]1C ZINC000455633252 822687390 /nfs/dbraw/zinc/68/73/90/822687390.db2.gz CCUOPBCBHQUBPI-JQWIXIFHSA-N 1 0 379.810 4.185 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(Cl)ccc2OC(F)(F)F)C1 ZINC000455633285 822687417 /nfs/dbraw/zinc/68/74/17/822687417.db2.gz CIDGCDNIZOLNDX-NSHDSACASA-N 1 0 379.810 4.044 20 0 GIADRO O=C(NNc1cc[nH+]cc1)c1ccc(COc2ccccc2Br)cc1 ZINC000180478483 822688765 /nfs/dbraw/zinc/68/87/65/822688765.db2.gz WHSCWJQTXUEPKW-UHFFFAOYSA-N 1 0 398.260 4.180 20 0 GIADRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)N[C@H](c1nccs1)C(F)(F)F ZINC000455643906 822689661 /nfs/dbraw/zinc/68/96/61/822689661.db2.gz WAOTZMCYMGCMKP-CYBMUJFWSA-N 1 0 392.491 4.090 20 0 GIADRO CC(C)(C)OC(=O)NC1CCC([NH2+]Cc2nc3ccccc3n2C2CC2)CC1 ZINC000184779631 822689830 /nfs/dbraw/zinc/68/98/30/822689830.db2.gz JCLUOUNMXZYCPD-UHFFFAOYSA-N 1 0 384.524 4.297 20 0 GIADRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]C[C@@H](O)c3ccc(C#N)cc3)s2)cc1 ZINC000184787972 822690938 /nfs/dbraw/zinc/69/09/38/822690938.db2.gz UKZBYDQTBGVJEB-VBKZILBWSA-N 1 0 393.512 4.383 20 0 GIADRO C[NH+](C)CCn1nccc1NC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000455653319 822692148 /nfs/dbraw/zinc/69/21/48/822692148.db2.gz AHRSHBJSJHCHCE-MRXNPFEDSA-N 1 0 396.322 4.121 20 0 GIADRO CC[NH+](CC)CC1CCN(C(=O)c2ccccc2COc2ccccc2)CC1 ZINC000049076790 822692462 /nfs/dbraw/zinc/69/24/62/822692462.db2.gz FCIJTQAFYILFTO-UHFFFAOYSA-N 1 0 380.532 4.460 20 0 GIADRO C[C@@H]1CN(C(=O)Nc2ccc([C@H]3CCOC3)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000455657788 822693219 /nfs/dbraw/zinc/69/32/19/822693219.db2.gz DGMUZWSTOONMNB-UGKGYDQZSA-N 1 0 393.531 4.176 20 0 GIADRO O=C(c1cccc(Br)c1Cl)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000180507511 822693261 /nfs/dbraw/zinc/69/32/61/822693261.db2.gz XSJSKIYQQLIHRQ-WBMJQRKESA-N 1 0 397.744 4.191 20 0 GIADRO O=C(c1cccc(Br)c1Cl)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000180507550 822693315 /nfs/dbraw/zinc/69/33/15/822693315.db2.gz XSJSKIYQQLIHRQ-LRDDRELGSA-N 1 0 397.744 4.191 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)CCSc1ccccn1)c1cccc(C(F)(F)F)c1 ZINC000184828881 822696560 /nfs/dbraw/zinc/69/65/60/822696560.db2.gz LPSCAJGNTQLQNL-MRXNPFEDSA-N 1 0 397.466 4.002 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N1CCc2sccc2C1)c1ccc(-c2ccncc2)cc1 ZINC000180529582 822696983 /nfs/dbraw/zinc/69/69/83/822696983.db2.gz NEVGUDAEIMOGHA-MRXNPFEDSA-N 1 0 377.513 4.046 20 0 GIADRO Cc1nc2c(s1)[C@@H]([NH2+]C[C@@H](c1cccc(Cl)c1)N1CCOCC1)CCC2 ZINC000180535561 822698078 /nfs/dbraw/zinc/69/80/78/822698078.db2.gz WMNXSUDBUCAQRY-HKUYNNGSSA-N 1 0 391.968 4.145 20 0 GIADRO C[NH+](C)C1(CN[C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2)CCOCC1 ZINC000180542855 822699075 /nfs/dbraw/zinc/69/90/75/822699075.db2.gz UGUBLHFCASOGLN-HXUWFJFHSA-N 1 0 376.903 4.269 20 0 GIADRO Nc1ccc(F)c(NC(=O)CC[NH2+][C@H](CC(F)(F)F)c2ccc(F)cc2)c1 ZINC000180553672 822701179 /nfs/dbraw/zinc/70/11/79/822701179.db2.gz GJIWIJSWEFZBRR-MRXNPFEDSA-N 1 0 387.352 4.159 20 0 GIADRO CCc1noc(-c2ccc(CC[NH2+][C@H](C)Cc3ccc(OC)c(OC)c3)cc2)n1 ZINC000180560703 822702679 /nfs/dbraw/zinc/70/26/79/822702679.db2.gz GSCJGNNKZCRSGX-MRXNPFEDSA-N 1 0 395.503 4.080 20 0 GIADRO Cc1cc(C(=O)N(C)C2CC[NH+](C(C)C)CC2)cc(C)c1OCc1cccnc1 ZINC000049638257 822703626 /nfs/dbraw/zinc/70/36/26/822703626.db2.gz LDEJYNQMGQPKGT-UHFFFAOYSA-N 1 0 395.547 4.222 20 0 GIADRO Cc1c(Cl)cncc1NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000455696163 822704854 /nfs/dbraw/zinc/70/48/54/822704854.db2.gz OCGPCRRQNXUQGM-ROUUACIJSA-N 1 0 384.911 4.029 20 0 GIADRO C[C@H](c1ccc(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)cc1)C(F)(F)F ZINC000455696566 822704888 /nfs/dbraw/zinc/70/48/88/822704888.db2.gz ZGOCLSBDWMKSOS-OAHLLOKOSA-N 1 0 391.437 4.142 20 0 GIADRO C[C@H](C(=O)Nc1ccccc1NC1CC[NH+](C)CC1)c1cn(C)c2ccccc12 ZINC000184878793 822706037 /nfs/dbraw/zinc/70/60/37/822706037.db2.gz GRHXTZLPQCHNKY-KRWDZBQOSA-N 1 0 390.531 4.427 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cncn2)cc1)c1cc(Br)ccc1O ZINC000184884484 822706960 /nfs/dbraw/zinc/70/69/60/822706960.db2.gz NARQRADKLAZMTF-QWHCGFSZSA-N 1 0 387.281 4.147 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)N3CCC[C@@H]3c3cccc(F)c3)c2)CC1 ZINC000184884952 822707027 /nfs/dbraw/zinc/70/70/27/822707027.db2.gz AGTRFLVPCIGIFU-JOCHJYFZSA-N 1 0 396.510 4.337 20 0 GIADRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@H]3C[C@@H]3c3cc(F)c(F)c(F)c3)C2)CC1 ZINC000184887624 822707660 /nfs/dbraw/zinc/70/76/60/822707660.db2.gz VHFVBLOOJYGBQD-JQHSSLGASA-N 1 0 394.481 4.178 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)Nc2cccc3cc(C(=O)OC)sc32)CC1 ZINC000455706645 822708379 /nfs/dbraw/zinc/70/83/79/822708379.db2.gz DZILXEBMGFLZOQ-UHFFFAOYSA-N 1 0 389.521 4.026 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cncc(Cl)c1C ZINC000455709035 822709217 /nfs/dbraw/zinc/70/92/17/822709217.db2.gz HSPSBLTZNCENBQ-GOSISDBHSA-N 1 0 386.927 4.419 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)NC1CCCC1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000180603297 822709759 /nfs/dbraw/zinc/70/97/59/822709759.db2.gz LSPKLEHXPDWYQL-CVEARBPZSA-N 1 0 397.494 4.176 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)N1CCC[C@H]1c1ccsc1)[NH+]1CCCC1 ZINC000049790211 822709753 /nfs/dbraw/zinc/70/97/53/822709753.db2.gz TWGDINBVTBNIQE-PMACEKPBSA-N 1 0 399.560 4.440 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)N1CCC[C@@H]1c1ccsc1)[NH+]1CCCC1 ZINC000049790208 822709782 /nfs/dbraw/zinc/70/97/82/822709782.db2.gz TWGDINBVTBNIQE-WOJBJXKFSA-N 1 0 399.560 4.440 20 0 GIADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)Nc1ccccc1OCCF ZINC000455711511 822709833 /nfs/dbraw/zinc/70/98/33/822709833.db2.gz GBIOSYCHFYYWKL-INIZCTEOSA-N 1 0 377.485 4.055 20 0 GIADRO C[C@@H](c1nc2ccccc2s1)N(C)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000049795101 822709831 /nfs/dbraw/zinc/70/98/31/822709831.db2.gz AUXBKZVPWZZLGU-WMZOPIPTSA-N 1 0 396.560 4.172 20 0 GIADRO CCN(C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)[C@@H](C)c1cccc(OC)c1 ZINC000049798224 822710143 /nfs/dbraw/zinc/71/01/43/822710143.db2.gz RBJPFNZTSDTEEI-HRAATJIYSA-N 1 0 387.499 4.230 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)N(Cc1ccco1)Cc1ccco1)c1cccc(F)c1 ZINC000049798397 822710169 /nfs/dbraw/zinc/71/01/69/822710169.db2.gz XKFNZBNKLSFZSK-HXUWFJFHSA-N 1 0 385.439 4.026 20 0 GIADRO CCN(C)C(=O)C[NH2+][C@H](C)c1sc(-c2ccc(Br)cc2)nc1C ZINC000184906388 822711127 /nfs/dbraw/zinc/71/11/27/822711127.db2.gz VWAUTSVOOMEFQS-LLVKDONJSA-N 1 0 396.354 4.010 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)cc1F ZINC000184917053 822712944 /nfs/dbraw/zinc/71/29/44/822712944.db2.gz PIADABXYDONUSL-QLJPJBMISA-N 1 0 386.236 4.120 20 0 GIADRO C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N1CC[NH+](CC2CCCCC2)CC1 ZINC000049982001 822713162 /nfs/dbraw/zinc/71/31/62/822713162.db2.gz UUXUPFGFHDWMAZ-INIZCTEOSA-N 1 0 397.485 4.230 20 0 GIADRO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CC[NH+](CC2CCCCC2)CC1 ZINC000049982037 822713175 /nfs/dbraw/zinc/71/31/75/822713175.db2.gz BRROODHFIRKGSP-QGZVFWFLSA-N 1 0 377.960 4.173 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)c1cccc2ccccc21 ZINC000184920659 822713280 /nfs/dbraw/zinc/71/32/80/822713280.db2.gz IYPCEKXWTGENIS-QGZVFWFLSA-N 1 0 380.513 4.231 20 0 GIADRO C[C@H](NC(=O)Nc1nc(CC(F)(F)F)cs1)[C@@H](c1ccccc1)[NH+](C)C ZINC000455721452 822713445 /nfs/dbraw/zinc/71/34/45/822713445.db2.gz KDCMTJOAEMZEBW-FZMZJTMJSA-N 1 0 386.443 4.061 20 0 GIADRO CCCN(Cc1ccccc1)C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1 ZINC000184923128 822713469 /nfs/dbraw/zinc/71/34/69/822713469.db2.gz QHDXRHJOTKTRIP-UHFFFAOYSA-N 1 0 380.536 4.273 20 0 GIADRO CCc1cccc(CC)c1NC(=O)C[NH2+][C@@H](CC)c1ccc2c(c1)OCCO2 ZINC000180618239 822713681 /nfs/dbraw/zinc/71/36/81/822713681.db2.gz XSXMACKDHCHTJU-IBGZPJMESA-N 1 0 382.504 4.262 20 0 GIADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)Nc2cn(C)nc2C2CCCCC2)C1 ZINC000455722718 822713794 /nfs/dbraw/zinc/71/37/94/822713794.db2.gz YXKPEVSHFOQPOA-QZTJIDSGSA-N 1 0 389.588 4.347 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)Nc2cn(C)nc2C2CCCCC2)C1 ZINC000455722716 822713872 /nfs/dbraw/zinc/71/38/72/822713872.db2.gz YXKPEVSHFOQPOA-HDICACEKSA-N 1 0 389.588 4.347 20 0 GIADRO COCOc1ccc(OC)cc1C[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000180620898 822714110 /nfs/dbraw/zinc/71/41/10/822714110.db2.gz FZVWNTSEBRXBIC-QUCCMNQESA-N 1 0 389.492 4.139 20 0 GIADRO COCc1ccccc1C[NH2+][C@H]1CCCC[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000184925643 822714240 /nfs/dbraw/zinc/71/42/40/822714240.db2.gz SUMZMSCCJNJAHH-FCHUYYIVSA-N 1 0 387.545 4.016 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(C(F)(F)F)cc1O ZINC000180622531 822714494 /nfs/dbraw/zinc/71/44/94/822714494.db2.gz VAZHJWFNWIVEJU-INIZCTEOSA-N 1 0 392.421 4.005 20 0 GIADRO C#CC[NH+]1CCC(C(=O)N[C@H](c2cccs2)c2ccc(CCC)cc2)CC1 ZINC000050026267 822714829 /nfs/dbraw/zinc/71/48/29/822714829.db2.gz PKRNVRQJPCDGDT-QFIPXVFZSA-N 1 0 380.557 4.251 20 0 GIADRO COc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000050026777 822714835 /nfs/dbraw/zinc/71/48/35/822714835.db2.gz UPZXDHLWSXLQNV-GGAORHGYSA-N 1 0 378.516 4.271 20 0 GIADRO C[C@H]1C[C@@H](NC(=O)Nc2ccccc2OCCF)CC[N@@H+]1Cc1ccccc1 ZINC000455726269 822714855 /nfs/dbraw/zinc/71/48/55/822714855.db2.gz TVFAREDZLUMRLO-HKUYNNGSSA-N 1 0 385.483 4.210 20 0 GIADRO O=C(NCc1ccnc(Oc2ccccc2)c1)c1cccc(C[NH+]2CCCC2)c1 ZINC000050032144 822715198 /nfs/dbraw/zinc/71/51/98/822715198.db2.gz LNYNISCSWNSNMY-UHFFFAOYSA-N 1 0 387.483 4.400 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccccc1OCCF ZINC000455727732 822715370 /nfs/dbraw/zinc/71/53/70/822715370.db2.gz XZHXGQCTGOVAMK-IEBWSBKVSA-N 1 0 385.483 4.067 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000184936337 822715633 /nfs/dbraw/zinc/71/56/33/822715633.db2.gz YUVGDWJEHCVLAR-ZWKOTPCHSA-N 1 0 390.449 4.318 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)Nc2nc(CC(F)(F)F)cs2)CC1 ZINC000455732340 822716221 /nfs/dbraw/zinc/71/62/21/822716221.db2.gz VDJBHLTVIAKFEQ-UHFFFAOYSA-N 1 0 392.491 4.224 20 0 GIADRO O=C(Nc1ccccc1OCCF)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000455740872 822717820 /nfs/dbraw/zinc/71/78/20/822717820.db2.gz XDEUCFZKXSKOFE-PMACEKPBSA-N 1 0 397.494 4.021 20 0 GIADRO C[C@@H]([NH2+]CCn1ccnc1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000184955863 822718063 /nfs/dbraw/zinc/71/80/63/822718063.db2.gz PLJOXRBOTRGISQ-GFCCVEGCSA-N 1 0 377.311 4.120 20 0 GIADRO C[C@@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1cn(C)c2ccccc12 ZINC000184963560 822719197 /nfs/dbraw/zinc/71/91/97/822719197.db2.gz XSXNGUSLVQDZDC-GOSISDBHSA-N 1 0 375.516 4.194 20 0 GIADRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)N(Cc1ccccc1)C1CC1 ZINC000050137048 822720074 /nfs/dbraw/zinc/72/00/74/822720074.db2.gz YZYOVRZCUGVZDZ-IBGZPJMESA-N 1 0 383.561 4.334 20 0 GIADRO CC1CC[NH+]([C@@H](CNC(=O)N2CCC[C@H]2c2ccncc2)c2ccccc2)CC1 ZINC000050157079 822720579 /nfs/dbraw/zinc/72/05/79/822720579.db2.gz CSHLCMITAPCHLQ-GOTSBHOMSA-N 1 0 392.547 4.401 20 0 GIADRO Cc1ccc(F)c(Br)c1NC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000455761362 822721577 /nfs/dbraw/zinc/72/15/77/822721577.db2.gz ZNLUADOOFRXDAY-CQSZACIVSA-N 1 0 398.320 4.236 20 0 GIADRO C[C@@H]([NH2+]Cc1cnn(Cc2ccccc2)c1)c1ccc(Br)cc1O ZINC000184999421 822723810 /nfs/dbraw/zinc/72/38/10/822723810.db2.gz BVUYWRXQWMUMSH-CQSZACIVSA-N 1 0 386.293 4.250 20 0 GIADRO C[C@H]([NH2+]CC1(C(N)=O)CCOCC1)c1ccc(-c2ccc(Cl)cc2F)s1 ZINC000185002925 822724116 /nfs/dbraw/zinc/72/41/16/822724116.db2.gz HKBNKXJTJLWOHP-LBPRGKRZSA-N 1 0 396.915 4.140 20 0 GIADRO OC1(c2cccnc2)CCC([NH2+][C@H]2CCc3c2cccc3Br)CC1 ZINC000185006859 822724490 /nfs/dbraw/zinc/72/44/90/822724490.db2.gz NDDQQGPBFGBNES-YHDJDMAPSA-N 1 0 387.321 4.251 20 0 GIADRO C[C@H]([NH2+]C1CCC(O)(c2cccnc2)CC1)c1ccccc1Br ZINC000185006298 822724512 /nfs/dbraw/zinc/72/45/12/822724512.db2.gz FANIMZAAKDRODG-ASFAAARLSA-N 1 0 375.310 4.325 20 0 GIADRO CCOc1ccc(Cl)c(NC(=O)N(CC[NH+](C)C)Cc2ccccc2)c1 ZINC000455776863 822724548 /nfs/dbraw/zinc/72/45/48/822724548.db2.gz PFYPFNWMTFTFLY-UHFFFAOYSA-N 1 0 375.900 4.334 20 0 GIADRO CCCCNC(=O)c1ccc(C[NH2+]Cc2sccc2Br)cc1 ZINC000185016881 822725671 /nfs/dbraw/zinc/72/56/71/822725671.db2.gz ULWGLXPPNVDFPH-UHFFFAOYSA-N 1 0 381.339 4.330 20 0 GIADRO CC[C@H](NC(=O)NCC1(C[NH+](C)C)CCCC1)c1nc(C(F)(F)F)cs1 ZINC000185018614 822725863 /nfs/dbraw/zinc/72/58/63/822725863.db2.gz SFUVJEAGLDUDOB-LBPRGKRZSA-N 1 0 392.491 4.034 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(N2CCCC2=O)c1)c1ccc(Br)cc1O ZINC000185019688 822725993 /nfs/dbraw/zinc/72/59/93/822725993.db2.gz VYDPBJBRWFFKAX-ZDUSSCGKSA-N 1 0 389.293 4.132 20 0 GIADRO Cn1cc(-c2cc(C[N@@H+]3CCCCC[C@H]3C[C@H](O)c3cccs3)on2)cn1 ZINC000185020331 822726171 /nfs/dbraw/zinc/72/61/71/822726171.db2.gz MBAOXFYSXQPOFL-LPHOPBHVSA-N 1 0 386.521 4.005 20 0 GIADRO Cn1cc(-c2cc(C[NH2+]C3(c4ccc(Br)cc4)CCC3)on2)cn1 ZINC000185030490 822727121 /nfs/dbraw/zinc/72/71/21/822727121.db2.gz VCTJEIWAPWYFIS-UHFFFAOYSA-N 1 0 387.281 4.007 20 0 GIADRO CSCc1ccccc1NC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000185068237 822732067 /nfs/dbraw/zinc/73/20/67/822732067.db2.gz KJVTXVBLAAQGNX-UHFFFAOYSA-N 1 0 384.545 4.006 20 0 GIADRO CCCn1ncc(NC(=O)NCc2ccccc2C[N@H+](C)C(C)C)c1C1CC1 ZINC000455827403 822732911 /nfs/dbraw/zinc/73/29/11/822732911.db2.gz KGZHIVUTQVOLMW-UHFFFAOYSA-N 1 0 383.540 4.332 20 0 GIADRO CCC(CC)C(=O)N1CCC([NH2+][C@@H](C)c2cc(Br)ccc2O)CC1 ZINC000185077271 822733692 /nfs/dbraw/zinc/73/36/92/822733692.db2.gz YZIIQFQVYLPPIU-ZDUSSCGKSA-N 1 0 397.357 4.233 20 0 GIADRO CC[C@H](C)Oc1cc(CNC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)ccn1 ZINC000455835344 822734096 /nfs/dbraw/zinc/73/40/96/822734096.db2.gz AHMWHUKETWQUGN-YWZLYKJASA-N 1 0 382.508 4.130 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCC[C@@]4(C3)OCc3ccccc34)ccc21 ZINC000455848552 822736504 /nfs/dbraw/zinc/73/65/04/822736504.db2.gz JNIHJFCQJUQSTJ-VWNXMTODSA-N 1 0 391.515 4.289 20 0 GIADRO CN1CCC[C@H](NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)c2ccccc21 ZINC000455852982 822737339 /nfs/dbraw/zinc/73/73/39/822737339.db2.gz MHOCBXVIKUQSDL-LEWJYISDSA-N 1 0 378.520 4.328 20 0 GIADRO CN(Cc1cnn(-c2ccccc2)c1)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455854898 822737640 /nfs/dbraw/zinc/73/76/40/822737640.db2.gz GRDOKIJIWYSXQN-JOCHJYFZSA-N 1 0 389.503 4.085 20 0 GIADRO CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455863806 822739092 /nfs/dbraw/zinc/73/90/92/822739092.db2.gz SITPUFRRQHBXLX-LADGPHEKSA-N 1 0 395.547 4.431 20 0 GIADRO CCCN(CCc1cccs1)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000185117274 822739207 /nfs/dbraw/zinc/73/92/07/822739207.db2.gz BXRLSHCDRBBNML-UHFFFAOYSA-N 1 0 386.565 4.024 20 0 GIADRO COc1ccc([C@@H](C)NC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)c(C)c1OC ZINC000455867942 822739731 /nfs/dbraw/zinc/73/97/31/822739731.db2.gz VRBXRUXEDXUTRC-QRWLVFNGSA-N 1 0 397.519 4.444 20 0 GIADRO COc1cc(F)cc(C[C@@H](C)NC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)c1 ZINC000455870313 822740129 /nfs/dbraw/zinc/74/01/29/822740129.db2.gz XEXDHTWVBHIPFP-SZNDQCEHSA-N 1 0 385.483 4.136 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)NCCc3cc(F)c(F)c(F)c3)ccc21 ZINC000455869883 822740163 /nfs/dbraw/zinc/74/01/63/822740163.db2.gz WSIFBHMIQFDDSG-SFHVURJKSA-N 1 0 377.410 4.017 20 0 GIADRO COc1ccc(C2(C[NH2+][C@H](C)c3cc(Cl)ccc3O)CCOCC2)cc1 ZINC000185128250 822740452 /nfs/dbraw/zinc/74/04/52/822740452.db2.gz LVIHJVKJCUARGC-OAHLLOKOSA-N 1 0 375.896 4.453 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(-n2ccnc2)c(F)c1)c1cc(Br)ccc1O ZINC000185134061 822741304 /nfs/dbraw/zinc/74/13/04/822741304.db2.gz UDZLQOMIIJLRGK-LBPRGKRZSA-N 1 0 390.256 4.330 20 0 GIADRO Cc1nc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)sc1Cc1ccccc1F ZINC000455895332 822743904 /nfs/dbraw/zinc/74/39/04/822743904.db2.gz CIRMNJPBOPXCER-CJNGLKHVSA-N 1 0 390.528 4.128 20 0 GIADRO CCCCNC(=O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)C1 ZINC000051060761 822745572 /nfs/dbraw/zinc/74/55/72/822745572.db2.gz IBJDCNPMUVWISZ-OALUTQOASA-N 1 0 387.568 4.074 20 0 GIADRO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000051061668 822745657 /nfs/dbraw/zinc/74/56/57/822745657.db2.gz UQZVOFSIVVLOOY-MRXNPFEDSA-N 1 0 375.900 4.123 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCCCCOCc3ccccc3)ccc21 ZINC000455902922 822745667 /nfs/dbraw/zinc/74/56/67/822745667.db2.gz GPUUVBVDTWRDRH-JOCHJYFZSA-N 1 0 381.520 4.354 20 0 GIADRO CCCCNC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[C@@H](C)CC)C1 ZINC000051062974 822745722 /nfs/dbraw/zinc/74/57/22/822745722.db2.gz TZFSQVZWMOJXRM-GBESFXJTSA-N 1 0 387.568 4.155 20 0 GIADRO Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000051084624 822746277 /nfs/dbraw/zinc/74/62/77/822746277.db2.gz AWPXGXCUVXPIBO-UHFFFAOYSA-N 1 0 396.922 4.385 20 0 GIADRO COc1ccc(O)c([C@@H](C)[NH2+]CC2(c3ccc(Cl)cc3)CCOCC2)c1 ZINC000185180434 822746341 /nfs/dbraw/zinc/74/63/41/822746341.db2.gz VLXYSFLVQQLYDA-OAHLLOKOSA-N 1 0 375.896 4.453 20 0 GIADRO CCc1ccc(NC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000455906227 822746405 /nfs/dbraw/zinc/74/64/05/822746405.db2.gz NPZHTKMRUYLQDL-IBGZPJMESA-N 1 0 381.520 4.243 20 0 GIADRO Cc1ccc(C(=O)NC2CC[NH+](Cc3cccc(OC(F)F)c3)CC2)s1 ZINC000051098090 822746420 /nfs/dbraw/zinc/74/64/20/822746420.db2.gz GGJJFDDVBQCZIF-UHFFFAOYSA-N 1 0 380.460 4.052 20 0 GIADRO Cc1ccc(C(=O)NC2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)s1 ZINC000051098563 822746478 /nfs/dbraw/zinc/74/64/78/822746478.db2.gz MRYGMURUEAEOPT-UHFFFAOYSA-N 1 0 382.451 4.470 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)NCCCc3c[nH]c4ccccc34)ccc21 ZINC000455907192 822746596 /nfs/dbraw/zinc/74/65/96/822746596.db2.gz ICGVSIYTTXVSHO-QFIPXVFZSA-N 1 0 376.504 4.471 20 0 GIADRO COc1ccc(C[NH2+][C@@H]2CCCO[C@@H]2CC(C)C)cc1OCc1cccnc1 ZINC000185189116 822747164 /nfs/dbraw/zinc/74/71/64/822747164.db2.gz ODVARRLQTZYVLT-IFMALSPDSA-N 1 0 384.520 4.353 20 0 GIADRO C[C@H](NC(=O)C[N@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1)c1ccc(F)cc1 ZINC000051133597 822747813 /nfs/dbraw/zinc/74/78/13/822747813.db2.gz ZHYVTSJKHUMDPL-KPDCDPCYSA-N 1 0 384.495 4.103 20 0 GIADRO C[C@H](c1ccc(C(=O)N2CC[C@@H](OCC[NH+]3CCCCC3)C2)cc1)C(F)(F)F ZINC000455913231 822748022 /nfs/dbraw/zinc/74/80/22/822748022.db2.gz YUNNSFHWNQJPHO-VQIMIIECSA-N 1 0 398.469 4.069 20 0 GIADRO CC[C@@H]([NH2+]Cc1ccnc(N2CCCC2)c1)c1cc(Br)ccc1O ZINC000185207634 822749504 /nfs/dbraw/zinc/74/95/04/822749504.db2.gz OHNSLXQJCRGMPS-QGZVFWFLSA-N 1 0 390.325 4.391 20 0 GIADRO O[C@H]1Cc2ccccc2[C@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000051188156 822749963 /nfs/dbraw/zinc/74/99/63/822749963.db2.gz PAZYRRYQQGSEEN-NZQKXSOJSA-N 1 0 387.508 4.349 20 0 GIADRO COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCc2nccs2)cc1 ZINC000051189620 822750051 /nfs/dbraw/zinc/75/00/51/822750051.db2.gz HBMQADPSFKLYNA-UHFFFAOYSA-N 1 0 390.512 4.337 20 0 GIADRO Cc1nc(NC(=O)NC2CC[NH+](C)CC2)sc1Cc1cccc(Cl)c1F ZINC000455923759 822750183 /nfs/dbraw/zinc/75/01/83/822750183.db2.gz WWHIOQMBEZKYDL-UHFFFAOYSA-N 1 0 396.919 4.051 20 0 GIADRO CC[C@H]1CCCC[C@@H]1OCC(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000185216780 822750296 /nfs/dbraw/zinc/75/02/96/822750296.db2.gz SUHBVTVVCLKSKX-AVRDEDQJSA-N 1 0 387.568 4.141 20 0 GIADRO COc1ccc(OC)c([C@H](C)NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)c1 ZINC000455932564 822752151 /nfs/dbraw/zinc/75/21/51/822752151.db2.gz QBBPUVXCEGFUKG-VBKZILBWSA-N 1 0 383.492 4.135 20 0 GIADRO C[C@@H]1CC[C@H](N(C)C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)C1 ZINC000455934752 822752628 /nfs/dbraw/zinc/75/26/28/822752628.db2.gz ACWRAMJFFGHTGV-ZBFHGGJFSA-N 1 0 379.932 4.465 20 0 GIADRO CSCCCCCNC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000455936095 822752935 /nfs/dbraw/zinc/75/29/35/822752935.db2.gz BWOZZTQRFHCDNG-UHFFFAOYSA-N 1 0 399.988 4.468 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCc1ccc(C(F)F)cc1 ZINC000185240326 822753381 /nfs/dbraw/zinc/75/33/81/822753381.db2.gz IUOKVQNKEAZRTF-UHFFFAOYSA-N 1 0 388.462 4.006 20 0 GIADRO C[C@@H]1CCCN(C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)[C@@H]1C ZINC000455938909 822753475 /nfs/dbraw/zinc/75/34/75/822753475.db2.gz FWXPLWOUGXHXDF-HUUCEWRRSA-N 1 0 379.932 4.465 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)N2CC(C3CCCC3)C2)CC1 ZINC000455945476 822755379 /nfs/dbraw/zinc/75/53/79/822755379.db2.gz OLSBNVDWVHDSIA-UHFFFAOYSA-N 1 0 391.943 4.467 20 0 GIADRO COc1ccc(OC)c(CCCNC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)c1 ZINC000455945597 822755427 /nfs/dbraw/zinc/75/54/27/822755427.db2.gz WMOODLDLOZNSCD-NRFANRHFSA-N 1 0 397.519 4.007 20 0 GIADRO CC[NH+](CC)CCOc1ccc(NC(=O)N2C[C@@H](C)C[C@@H]2c2cccnc2)cc1 ZINC000185257727 822755466 /nfs/dbraw/zinc/75/54/66/822755466.db2.gz XXNQQDWMZJOSSM-PGRDOPGGSA-N 1 0 396.535 4.417 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCC[C@@H]3c3ccc4c(c3)OCO4)ccc21 ZINC000455946670 822755683 /nfs/dbraw/zinc/75/56/83/822755683.db2.gz WZVHGRRPJNURIG-WOJBJXKFSA-N 1 0 393.487 4.333 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)N2CC3(C2)CCCC3)CC1 ZINC000455946327 822755773 /nfs/dbraw/zinc/75/57/73/822755773.db2.gz PSVANGGTTAOTAY-UHFFFAOYSA-N 1 0 377.916 4.221 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)NCc3coc(-c4ccccc4)n3)ccc21 ZINC000455947105 822755892 /nfs/dbraw/zinc/75/58/92/822755892.db2.gz XJDOATQCXIZLFF-FQEVSTJZSA-N 1 0 376.460 4.212 20 0 GIADRO CCC(C)(C)OCCNC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000455947381 822756036 /nfs/dbraw/zinc/75/60/36/822756036.db2.gz RVGXXYBLJAZOFR-UHFFFAOYSA-N 1 0 397.947 4.140 20 0 GIADRO C[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)N1CCCC1)c1ccc2ccccc2c1O ZINC000185260662 822756066 /nfs/dbraw/zinc/75/60/66/822756066.db2.gz KUFFDFMIBYHJIU-FDDCHVKYSA-N 1 0 388.511 4.430 20 0 GIADRO CC[NH+](CC)CCOc1ccc(NC(=O)NC[C@H](C)c2ncc(C)s2)cc1 ZINC000185261962 822756302 /nfs/dbraw/zinc/75/63/02/822756302.db2.gz PDVLGMBZLZUPSO-HNNXBMFYSA-N 1 0 390.553 4.097 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)N2CC[C@@H](CC3CC3)C2)CC1 ZINC000455949379 822756418 /nfs/dbraw/zinc/75/64/18/822756418.db2.gz WOICXEGVMDNZBR-INIZCTEOSA-N 1 0 391.943 4.467 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)NC3(c4cccc(F)c4)CCOCC3)ccc21 ZINC000455949703 822756559 /nfs/dbraw/zinc/75/65/59/822756559.db2.gz YXCPUCPLIPEGAE-NRFANRHFSA-N 1 0 397.494 4.202 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)N2CC3(CCC3(F)F)C2)CC1 ZINC000455950149 822756671 /nfs/dbraw/zinc/75/66/71/822756671.db2.gz XSTFHQQITWCFEG-UHFFFAOYSA-N 1 0 399.869 4.076 20 0 GIADRO COCCOc1ccc(NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)c(C)c1 ZINC000455950907 822756702 /nfs/dbraw/zinc/75/67/02/822756702.db2.gz ZUIGQPBQDCKIOU-OAQYLSRUSA-N 1 0 383.492 4.213 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)NCCCc3nc4c(s3)CCCC4)ccc21 ZINC000455950488 822756706 /nfs/dbraw/zinc/75/67/06/822756706.db2.gz ZLXPYFPTLXNGSO-IBGZPJMESA-N 1 0 398.576 4.325 20 0 GIADRO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]Cc2ccc(Oc3ccccc3)nc2)cc1 ZINC000185265282 822756792 /nfs/dbraw/zinc/75/67/92/822756792.db2.gz XNOXFMYVWGKOEV-SFHVURJKSA-N 1 0 396.512 4.134 20 0 GIADRO C[C@H]1C[C@H](c2cccnc2)N(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000185268977 822757211 /nfs/dbraw/zinc/75/72/11/822757211.db2.gz AJXVKVJFKYEXDH-WMZHIEFXSA-N 1 0 392.547 4.360 20 0 GIADRO CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000185276345 822758444 /nfs/dbraw/zinc/75/84/44/822758444.db2.gz XFWWXRVJVXJNOS-NRFANRHFSA-N 1 0 399.510 4.184 20 0 GIADRO O=[N+]([O-])c1ccc(C[NH2+]Cc2cccc(COC3CCOCC3)c2)cc1Cl ZINC000185286151 822759841 /nfs/dbraw/zinc/75/98/41/822759841.db2.gz WLFHOFLKOCPUQP-UHFFFAOYSA-N 1 0 390.867 4.234 20 0 GIADRO CCc1ccc([C@@H]([NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)C(C)C)cc1 ZINC000185295311 822761056 /nfs/dbraw/zinc/76/10/56/822761056.db2.gz PHUNIZNAZOHJPS-QFIPXVFZSA-N 1 0 386.561 4.276 20 0 GIADRO C[C@H]([NH2+]C[C@](C)(O)c1ccccc1Cl)c1ncc(Br)s1 ZINC000185300927 822762105 /nfs/dbraw/zinc/76/21/05/822762105.db2.gz SUNDKZJCPAYOGJ-XPTSAGLGSA-N 1 0 375.719 4.117 20 0 GIADRO O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000174283308 822762809 /nfs/dbraw/zinc/76/28/09/822762809.db2.gz ZXKDITPDAXRXLA-AWEZNQCLSA-N 1 0 393.331 4.202 20 0 GIADRO COc1ccc(C[C@H](C)C[NH2+]C2CCN([C@H](C)c3ccncc3)CC2)cc1F ZINC000185308505 822763449 /nfs/dbraw/zinc/76/34/49/822763449.db2.gz LMTBTMHLJBPMED-ZWKOTPCHSA-N 1 0 385.527 4.223 20 0 GIADRO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000051531347 822764501 /nfs/dbraw/zinc/76/45/01/822764501.db2.gz XBRHMNCUWBHWFN-SFYKDHMMSA-N 1 0 380.532 4.006 20 0 GIADRO O[C@@H](C[NH+]1CCC([C@@H](O)c2ccccc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000051531688 822764522 /nfs/dbraw/zinc/76/45/22/822764522.db2.gz IOTTXDWGPQTAAI-PMACEKPBSA-N 1 0 379.422 4.184 20 0 GIADRO COc1ccc(C[C@H](C)C[NH2+]CCc2nc(-c3ccccn3)cs2)cc1F ZINC000185318195 822765102 /nfs/dbraw/zinc/76/51/02/822765102.db2.gz XCQUXMKUYNXCMW-HNNXBMFYSA-N 1 0 385.508 4.364 20 0 GIADRO COCCN1CCC([NH2+][C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000174301830 822767210 /nfs/dbraw/zinc/76/72/10/822767210.db2.gz MGRSSFVNNXGCAB-GFCCVEGCSA-N 1 0 398.391 4.486 20 0 GIADRO Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000174302583 822767415 /nfs/dbraw/zinc/76/74/15/822767415.db2.gz PJIVOBVKUBOCKI-VJBWXMMDSA-N 1 0 395.547 4.065 20 0 GIADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2cc(Oc3ccccc3)ccn2)CC1 ZINC000174310832 822769106 /nfs/dbraw/zinc/76/91/06/822769106.db2.gz SLLLCXVNGWYKTM-UHFFFAOYSA-N 1 0 391.471 4.204 20 0 GIADRO COc1ccccc1-c1ccc(C[NH2+]Cc2ccccc2N2CCOCC2)cc1 ZINC000174311732 822769325 /nfs/dbraw/zinc/76/93/25/822769325.db2.gz XSKGGUGPGXHTPA-UHFFFAOYSA-N 1 0 388.511 4.489 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)Nc1cccc(CC(F)(F)F)c1 ZINC000174316290 822769859 /nfs/dbraw/zinc/76/98/59/822769859.db2.gz RRNLVMAEHFQNOI-MRXNPFEDSA-N 1 0 381.398 4.343 20 0 GIADRO CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3cccnc3)c2)c2ccc(F)cc2C1 ZINC000185355827 822770443 /nfs/dbraw/zinc/77/04/43/822770443.db2.gz JAIGDLXTOSXIFR-XMMPIXPASA-N 1 0 389.474 4.471 20 0 GIADRO Cc1cccn2c(C[NH2+]Cc3cn(-c4ccccc4)nc3-c3ccncc3)cnc12 ZINC000174324855 822771019 /nfs/dbraw/zinc/77/10/19/822771019.db2.gz DPKHFMANYSUWTN-UHFFFAOYSA-N 1 0 394.482 4.180 20 0 GIADRO Cc1cnc([C@H](NCCC[NH2+][C@H](c2ncc(C)s2)C2CC2)C2CC2)s1 ZINC000185362500 822771954 /nfs/dbraw/zinc/77/19/54/822771954.db2.gz OEJQUAMZYONPRV-CALCHBBNSA-N 1 0 376.595 4.388 20 0 GIADRO CC(C)[C@H]1CN(Cc2nnc(-c3ccccc3Br)o2)CCS1 ZINC000174334494 822773148 /nfs/dbraw/zinc/77/31/48/822773148.db2.gz FQGQFKCREYTHFZ-CQSZACIVSA-N 1 0 382.327 4.073 20 0 GIADRO Cc1ccccc1-c1ccc(Cl)c(C(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)c1 ZINC000456068871 822774059 /nfs/dbraw/zinc/77/40/59/822774059.db2.gz PCMUWQYHYVNIQO-GOSISDBHSA-N 1 0 399.966 4.071 20 0 GIADRO C[C@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)c1ccc(-c2ccncc2)cc1 ZINC000174340336 822774691 /nfs/dbraw/zinc/77/46/91/822774691.db2.gz IWBDSTKDUIBNLQ-WMZHIEFXSA-N 1 0 392.547 4.470 20 0 GIADRO C[C@H](C(=O)Nc1cccc(OCCC[NH+](C)C)c1)c1cn(C)c2ccccc12 ZINC000185379480 822775133 /nfs/dbraw/zinc/77/51/33/822775133.db2.gz PFXIDWLWBNECGR-KRWDZBQOSA-N 1 0 379.504 4.251 20 0 GIADRO Cc1ncsc1C[NH2+]C[C@@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 ZINC000174346765 822775908 /nfs/dbraw/zinc/77/59/08/822775908.db2.gz YOKQUELRSSLAET-KRWDZBQOSA-N 1 0 379.957 4.047 20 0 GIADRO COc1ccc(C[N@H+](C)CCC(=O)Nc2ccccc2Br)cc1F ZINC000051792634 822778401 /nfs/dbraw/zinc/77/84/01/822778401.db2.gz UFYHFNLRACXFOI-UHFFFAOYSA-N 1 0 395.272 4.057 20 0 GIADRO CC1(C(=O)N2CCO[C@H](c3cccc(F)c3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000185397377 822778478 /nfs/dbraw/zinc/77/84/78/822778478.db2.gz CSUYIFORJATHNR-QFIPXVFZSA-N 1 0 396.506 4.028 20 0 GIADRO Cc1cc2occ(C(=O)Nc3ccc(NC(=O)CC[NH+](C)C)cc3)c2cc1C ZINC000185407766 822779916 /nfs/dbraw/zinc/77/99/16/822779916.db2.gz BWEOHTSSVHIBPV-UHFFFAOYSA-N 1 0 379.460 4.192 20 0 GIADRO CSc1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(-n3cccn3)cc2)c1 ZINC000174377698 822780743 /nfs/dbraw/zinc/78/07/43/822780743.db2.gz RFEGLIZXYJNYCT-CVEARBPZSA-N 1 0 380.517 4.272 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000174379407 822780854 /nfs/dbraw/zinc/78/08/54/822780854.db2.gz XLOCYIFAPRRLHK-IBGZPJMESA-N 1 0 397.519 4.080 20 0 GIADRO CCc1cc2c(C[NH2+][C@H](C)c3ccc(-n4cccn4)cc3)cc(=O)oc2cc1O ZINC000174380131 822781014 /nfs/dbraw/zinc/78/10/14/822781014.db2.gz DYTWJSYSHPQHFB-OAHLLOKOSA-N 1 0 389.455 4.098 20 0 GIADRO CC[NH+](CC)CCOc1ccc(C(=O)N2CC[C@@H](C(F)(F)F)C[C@H]2C)cc1 ZINC000456126854 822781315 /nfs/dbraw/zinc/78/13/15/822781315.db2.gz MVKJAROMTQZFGQ-NVXWUHKLSA-N 1 0 386.458 4.210 20 0 GIADRO CCOc1c(OC)cc(C[NH2+]C2(c3ccc(F)cc3)CCOCC2)cc1OC ZINC000174390887 822782779 /nfs/dbraw/zinc/78/27/79/822782779.db2.gz MFWNXRARYUSSBM-UHFFFAOYSA-N 1 0 389.467 4.037 20 0 GIADRO Cc1ccccc1[C@@H]1CN(C(=O)c2cccc(C[NH+]3CCCC3)c2)[C@H](C)CO1 ZINC000174393322 822782932 /nfs/dbraw/zinc/78/29/32/822782932.db2.gz PNVGACCBGWKDGJ-XXBNENTESA-N 1 0 378.516 4.193 20 0 GIADRO CC(C)Oc1ccc2ccccc2c1CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000185437250 822783651 /nfs/dbraw/zinc/78/36/51/822783651.db2.gz FOQWHXOQKXECMG-HKUYNNGSSA-N 1 0 383.536 4.251 20 0 GIADRO CC[NH+](CC)[C@H](C(=O)NCc1cnccc1C)c1cccc(C(F)(F)F)c1 ZINC000456146188 822783931 /nfs/dbraw/zinc/78/39/31/822783931.db2.gz AKEIHBVOOOTPFA-SFHVURJKSA-N 1 0 379.426 4.108 20 0 GIADRO CC(C)Oc1ccc2ccccc2c1CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000185438736 822783919 /nfs/dbraw/zinc/78/39/19/822783919.db2.gz GQKKQTLWCBUILX-MOPGFXCFSA-N 1 0 381.520 4.005 20 0 GIADRO CN(Cc1coc(-c2cccc(F)c2)n1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174398696 822784103 /nfs/dbraw/zinc/78/41/03/822784103.db2.gz DMCZVIPLVGHFHO-LJQANCHMSA-N 1 0 379.479 4.435 20 0 GIADRO CC(C)n1c2ccc(C(=O)NC(C)(C)CCC[NH+](C)C)cc2nc1C(F)(F)F ZINC000456159818 822785298 /nfs/dbraw/zinc/78/52/98/822785298.db2.gz AURUCLMLQITHAM-UHFFFAOYSA-N 1 0 398.473 4.486 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)c1cc(Cl)cc(Br)c1F ZINC000456163263 822785509 /nfs/dbraw/zinc/78/55/09/822785509.db2.gz FUMRWXLWTASORY-UHFFFAOYSA-N 1 0 379.701 4.092 20 0 GIADRO C[C@H](CNC(=O)c1ccccc1Oc1cccnc1)[N@@H+]1CCc2ccccc2C1 ZINC000051982565 822785522 /nfs/dbraw/zinc/78/55/22/822785522.db2.gz IJIPPLBOLCHKGG-GOSISDBHSA-N 1 0 387.483 4.051 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)COc1c(Cl)cc(Cl)cc1Cl ZINC000456178648 822786657 /nfs/dbraw/zinc/78/66/57/822786657.db2.gz ALXDGPYNSQLKLC-UHFFFAOYSA-N 1 0 381.731 4.262 20 0 GIADRO Cc1cc([C@@H]2CCC[N@@H+]2C[C@H](O)COc2ccc(Oc3ccccc3)cc2)on1 ZINC000052009252 822786752 /nfs/dbraw/zinc/78/67/52/822786752.db2.gz KFXGEONBFFBECV-AVRDEDQJSA-N 1 0 394.471 4.352 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)Cc1csc(-c2ccccc2Cl)n1 ZINC000456201576 822787788 /nfs/dbraw/zinc/78/77/88/822787788.db2.gz MDEGYFVIDDFFPS-UHFFFAOYSA-N 1 0 379.957 4.243 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)CCCOc1cccc(Cl)c1Cl ZINC000456205582 822787965 /nfs/dbraw/zinc/78/79/65/822787965.db2.gz QAIJLFILHXDDSD-UHFFFAOYSA-N 1 0 375.340 4.389 20 0 GIADRO CC[NH+](CC)CCSCC(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000174434425 822789586 /nfs/dbraw/zinc/78/95/86/822789586.db2.gz RONJBNJCCHFAQW-UHFFFAOYSA-N 1 0 391.562 4.014 20 0 GIADRO CCOc1ccc(-c2nc(C[N@H+](CC)C[C@@H]3CCOC3)cs2)cc1OC ZINC000052072458 822789661 /nfs/dbraw/zinc/78/96/61/822789661.db2.gz SYLYLRALWSFANP-HNNXBMFYSA-N 1 0 376.522 4.076 20 0 GIADRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@H]1COc2cc(C)c(C)cc21 ZINC000185495616 822790728 /nfs/dbraw/zinc/79/07/28/822790728.db2.gz YDXCUTMTIAQNAU-FQEVSTJZSA-N 1 0 396.556 4.275 20 0 GIADRO Cc1ccc(C[NH2+]Cc2cccnc2Oc2cccc(S(C)(=O)=O)c2)cc1C ZINC000174445654 822790792 /nfs/dbraw/zinc/79/07/92/822790792.db2.gz QFWSYVHUMGUELQ-UHFFFAOYSA-N 1 0 396.512 4.184 20 0 GIADRO CC[C@H]1CCC[C@H]([NH2+]Cc2cccnc2Oc2cccc(S(C)(=O)=O)c2)C1 ZINC000174445780 822790806 /nfs/dbraw/zinc/79/08/06/822790806.db2.gz IBILVFMLFTZMMT-WMZOPIPTSA-N 1 0 388.533 4.336 20 0 GIADRO Cc1nc(COc2ccc(C[NH2+]CCc3c[nH]c4c3cccc4C)cc2)no1 ZINC000174447622 822790968 /nfs/dbraw/zinc/79/09/68/822790968.db2.gz YPFLWCXAAIJMET-UHFFFAOYSA-N 1 0 376.460 4.079 20 0 GIADRO C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)c1 ZINC000456261555 822791228 /nfs/dbraw/zinc/79/12/28/822791228.db2.gz FXZKVSUSXTUGIQ-XMDBHEJHSA-N 1 0 377.488 4.082 20 0 GIADRO C/C=C\c1ccc(OCC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)c(OC)c1 ZINC000456270773 822792188 /nfs/dbraw/zinc/79/21/88/822792188.db2.gz WINNANBSGOTFEL-KKHYBRAUSA-N 1 0 380.488 4.295 20 0 GIADRO CCCCN(C)C(=O)C1CC[NH+](CCOc2ccc(Cl)cc2Cl)CC1 ZINC000052186006 822792723 /nfs/dbraw/zinc/79/27/23/822792723.db2.gz PZNZTZXHYCXDPG-UHFFFAOYSA-N 1 0 387.351 4.343 20 0 GIADRO C[C@@H]([NH2+]C[C@H](O)c1cc(Cl)c2c(c1)OCCO2)c1ccc2ccccc2c1O ZINC000185518061 822792812 /nfs/dbraw/zinc/79/28/12/822792812.db2.gz PCYAQKQMWVPWNE-YJYMSZOUSA-N 1 0 399.874 4.354 20 0 GIADRO CCCC[N@H+](C)CC1CCN(CC(=O)Nc2ccccc2SC(F)F)CC1 ZINC000052208369 822793052 /nfs/dbraw/zinc/79/30/52/822793052.db2.gz IEMBCKLLEPYJHW-UHFFFAOYSA-N 1 0 399.551 4.384 20 0 GIADRO CCCC[N@H+](C)CC1CCN(Cc2nc(-c3ccc(OCC)cc3)no2)CC1 ZINC000052209144 822793118 /nfs/dbraw/zinc/79/31/18/822793118.db2.gz VLSRLMQSODFWEC-UHFFFAOYSA-N 1 0 386.540 4.079 20 0 GIADRO CSc1nc(C(C)C)nc(C)c1C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000456277495 822793112 /nfs/dbraw/zinc/79/31/12/822793112.db2.gz OLPDLGNTIBMERD-KRWDZBQOSA-N 1 0 384.549 4.432 20 0 GIADRO COCCOc1ccc(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)c(Cl)c1 ZINC000456280801 822793658 /nfs/dbraw/zinc/79/36/58/822793658.db2.gz QQRGZQKRXFJPAB-FQEVSTJZSA-N 1 0 388.895 4.166 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)CN[C@@H](c3ccccc3)C(F)(F)F)ccc21 ZINC000456282028 822793763 /nfs/dbraw/zinc/79/37/63/822793763.db2.gz RYKDMMJWLVGUOF-ICSRJNTNSA-N 1 0 391.437 4.067 20 0 GIADRO Cc1cc(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)nn1-c1ccc(F)cc1F ZINC000456286290 822794329 /nfs/dbraw/zinc/79/43/29/822794329.db2.gz VEMFIDPQRMEUFN-FQEVSTJZSA-N 1 0 396.441 4.260 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)Cc3cc(Br)ccc3F)ccc21 ZINC000456285709 822794333 /nfs/dbraw/zinc/79/43/33/822794333.db2.gz VCXRXXCNFSFGQE-GOSISDBHSA-N 1 0 391.284 4.318 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)c3cnn(C(C)(C)C)c3C(F)(F)F)ccc21 ZINC000456286507 822794396 /nfs/dbraw/zinc/79/43/96/822794396.db2.gz VQSPXHCSJSLJGV-MRXNPFEDSA-N 1 0 394.441 4.458 20 0 GIADRO CC(C)n1cc(C[NH2+]C2(c3ccc(Br)cc3)CCOCC2)cn1 ZINC000174470376 822794522 /nfs/dbraw/zinc/79/45/22/822794522.db2.gz BWQRATGVTZDVAE-UHFFFAOYSA-N 1 0 378.314 4.022 20 0 GIADRO CSc1nc(C2CC2)nc(C)c1C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000456289677 822794699 /nfs/dbraw/zinc/79/46/99/822794699.db2.gz XSKRQJGLSFUFDP-KRWDZBQOSA-N 1 0 382.533 4.186 20 0 GIADRO CC(C)Oc1ccc(NC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)c(F)c1 ZINC000052267618 822795294 /nfs/dbraw/zinc/79/52/94/822795294.db2.gz NYPNMPFCBRWYMM-IBGZPJMESA-N 1 0 377.435 4.176 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cccc(OCc3cccc(Cl)c3)c2)C1 ZINC000174490512 822796218 /nfs/dbraw/zinc/79/62/18/822796218.db2.gz JQMSKYQUMDFCDO-SFHVURJKSA-N 1 0 386.923 4.333 20 0 GIADRO C[C@@H]1CN(C(=O)CCc2c[nH]c3ccccc23)CC[N@H+](Cc2ccccc2)C1 ZINC000456305079 822796370 /nfs/dbraw/zinc/79/63/70/822796370.db2.gz KWYBVSVTXSBWBR-IBGZPJMESA-N 1 0 375.516 4.081 20 0 GIADRO C[C@@H]1CN(C(=O)CCc2ccc3ccccc3n2)CC[N@H+](Cc2ccccc2)C1 ZINC000456311028 822797030 /nfs/dbraw/zinc/79/70/30/822797030.db2.gz ROQWQZLBCJBLNA-FQEVSTJZSA-N 1 0 387.527 4.148 20 0 GIADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2ccccc2OC(F)F)C1 ZINC000174497637 822797115 /nfs/dbraw/zinc/79/71/15/822797115.db2.gz JAINMLZWTHDFHO-HOTGVXAUSA-N 1 0 381.467 4.406 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)CSCc2ccc(Cl)cc2Cl)C1 ZINC000174501239 822797502 /nfs/dbraw/zinc/79/75/02/822797502.db2.gz XGJUWBSYUVXCFZ-ZDUSSCGKSA-N 1 0 375.365 4.027 20 0 GIADRO Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000456321092 822798225 /nfs/dbraw/zinc/79/82/25/822798225.db2.gz PECNTGXJODBIRW-MQVJKMGUSA-N 1 0 375.925 4.127 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(COc3ccc4ccccc4c3)o2)C1 ZINC000174506213 822798268 /nfs/dbraw/zinc/79/82/68/822798268.db2.gz ITMKKYDNARHNDI-GOSISDBHSA-N 1 0 392.499 4.426 20 0 GIADRO COc1ccc(-c2nc(C[NH2+][C@H](C)[C@H]3COc4ccccc43)cs2)cc1OC ZINC000185575091 822798319 /nfs/dbraw/zinc/79/83/19/822798319.db2.gz VJSQQYOSJZRYNC-RDTXWAMCSA-N 1 0 396.512 4.482 20 0 GIADRO COc1ccc(-c2nc(C[NH2+][C@@H](C)[C@H]3COc4ccccc43)cs2)cc1OC ZINC000185575075 822798367 /nfs/dbraw/zinc/79/83/67/822798367.db2.gz VJSQQYOSJZRYNC-KBXCAEBGSA-N 1 0 396.512 4.482 20 0 GIADRO CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000185581970 822798818 /nfs/dbraw/zinc/79/88/18/822798818.db2.gz KRAIXXNHCBCMBV-IBGZPJMESA-N 1 0 382.504 4.214 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1cccc(Oc2ccccn2)c1)c1ccccc1 ZINC000174509433 822798854 /nfs/dbraw/zinc/79/88/54/822798854.db2.gz JQTRTHNDJXHRHH-HXUWFJFHSA-N 1 0 376.460 4.298 20 0 GIADRO Cc1cc(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)nn1-c1c(F)cccc1F ZINC000456331427 822799233 /nfs/dbraw/zinc/79/92/33/822799233.db2.gz UAJLYDVGTTWMDH-HXUWFJFHSA-N 1 0 396.441 4.260 20 0 GIADRO COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000174513040 822799363 /nfs/dbraw/zinc/79/93/63/822799363.db2.gz JSTRHIFBRXNNPS-UHFFFAOYSA-N 1 0 396.409 4.045 20 0 GIADRO COc1cc(C)c([C@@H](C)NC(=O)C[N@@H+]2CCC[C@@H]2c2ccccc2)cc1OC ZINC000052432230 822799485 /nfs/dbraw/zinc/79/94/85/822799485.db2.gz MEAWBTLQJJUXPY-YLJYHZDGSA-N 1 0 382.504 4.027 20 0 GIADRO COc1ccc([C@H]2CCCN2C(=O)C[N@@H+]2CCC[C@@H]2c2ccccc2)c(OC)c1 ZINC000052431943 822799505 /nfs/dbraw/zinc/79/95/05/822799505.db2.gz OQXIBCZIPWPNQU-FGZHOGPDSA-N 1 0 394.515 4.204 20 0 GIADRO C[N@H+](CCNC(=O)Nc1cccc(Oc2ccccn2)c1)Cc1ccccc1 ZINC000174515350 822799806 /nfs/dbraw/zinc/79/98/06/822799806.db2.gz FVGQQAUDMZDHFQ-UHFFFAOYSA-N 1 0 376.460 4.127 20 0 GIADRO Cc1cn(-c2c(F)cccc2F)nc1C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000456340416 822800143 /nfs/dbraw/zinc/80/01/43/822800143.db2.gz YAUYQFSQGRNRCK-LJQANCHMSA-N 1 0 396.441 4.260 20 0 GIADRO CC(C)(CNC(=O)CCCCC(=O)c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000052530058 822802813 /nfs/dbraw/zinc/80/28/13/822802813.db2.gz WOQQVAQFUICVRK-UHFFFAOYSA-N 1 0 392.543 4.383 20 0 GIADRO COC(=O)c1cccc(-c2nc(C[NH2+][C@H](C)[C@H]3COc4ccccc43)cs2)c1 ZINC000185617262 822802841 /nfs/dbraw/zinc/80/28/41/822802841.db2.gz KKEAJGUIQSTPFE-AUUYWEPGSA-N 1 0 394.496 4.251 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2csc(-c3ccc(OC(C)C)cc3)n2)C1 ZINC000174542694 822803060 /nfs/dbraw/zinc/80/30/60/822803060.db2.gz SHJQYQWQFZVWCP-MRXNPFEDSA-N 1 0 387.549 4.011 20 0 GIADRO COc1cc(C[NH2+][C@H](C)CC(C)(C)OC)ccc1OCc1c(C)noc1C ZINC000174552914 822804212 /nfs/dbraw/zinc/80/42/12/822804212.db2.gz RKPNJZXBQGHKHP-CQSZACIVSA-N 1 0 376.497 4.172 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)[C@H]1COc2ccccc21 ZINC000185631123 822804462 /nfs/dbraw/zinc/80/44/62/822804462.db2.gz QEBPTJUXJXJSHM-SMDDNHRTSA-N 1 0 398.812 4.452 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]CC(=O)Nc1ccccc1C(C)C ZINC000185631650 822804499 /nfs/dbraw/zinc/80/44/99/822804499.db2.gz VLUMLYJGOPNXKT-CYBMUJFWSA-N 1 0 396.457 4.475 20 0 GIADRO CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1COc2ccccc21 ZINC000185633072 822804539 /nfs/dbraw/zinc/80/45/39/822804539.db2.gz BHQWAZDNIYPLDV-GLJUWKHASA-N 1 0 392.455 4.117 20 0 GIADRO O=C(c1csc(-c2ccc(Cl)cc2)n1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000174556769 822804673 /nfs/dbraw/zinc/80/46/73/822804673.db2.gz YFNUSQLQDXXWQC-HNNXBMFYSA-N 1 0 389.952 4.412 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]CC(=O)Nc1cccc(Cl)c1 ZINC000185637521 822805269 /nfs/dbraw/zinc/80/52/69/822805269.db2.gz ZJCHAKJLEJXBTK-SNVBAGLBSA-N 1 0 388.821 4.005 20 0 GIADRO COc1cc(C[NH2+][C@@H](C)CCc2cccn2C)ccc1OCc1ccncc1 ZINC000174567073 822805847 /nfs/dbraw/zinc/80/58/47/822805847.db2.gz GNLMLFXHNJNHLU-SFHVURJKSA-N 1 0 379.504 4.119 20 0 GIADRO CCN(Cc1ccccc1)C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000052635775 822805830 /nfs/dbraw/zinc/80/58/30/822805830.db2.gz RYMJMPFSEICBBV-JOCHJYFZSA-N 1 0 381.520 4.064 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1cc(C)cc(C)c1 ZINC000185646005 822806265 /nfs/dbraw/zinc/80/62/65/822806265.db2.gz CZDPKAFBHKVTLN-ZFWWWQNUSA-N 1 0 396.457 4.357 20 0 GIADRO Cc1ccc(-c2cnc(CCC(=O)N3CC[N@@H+](C)CC34CCCCC4)o2)cc1 ZINC000174571576 822806519 /nfs/dbraw/zinc/80/65/19/822806519.db2.gz VLIDBWXEHWEGGB-UHFFFAOYSA-N 1 0 381.520 4.060 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(OC)cc2)cc1OCC ZINC000052659811 822806549 /nfs/dbraw/zinc/80/65/49/822806549.db2.gz QGXTWYOBSZHBFV-HZPDHXFCSA-N 1 0 386.492 4.170 20 0 GIADRO Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)Nc1ccccc1C[NH+](C)C ZINC000052666080 822806939 /nfs/dbraw/zinc/80/69/39/822806939.db2.gz WQGWSSSWNHLWRR-UHFFFAOYSA-N 1 0 396.922 4.385 20 0 GIADRO CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c1c(C)nn(CC(F)(F)F)c1C)c1ccccc1 ZINC000185653138 822806989 /nfs/dbraw/zinc/80/69/89/822806989.db2.gz VMHCEBKLQXBWTD-ZFWWWQNUSA-N 1 0 396.457 4.154 20 0 GIADRO COc1ccccc1OCc1ccc(C(=O)Nc2ccccc2C[NH+](C)C)o1 ZINC000052666078 822806994 /nfs/dbraw/zinc/80/69/94/822806994.db2.gz HNDXEQYETOTHGG-UHFFFAOYSA-N 1 0 380.444 4.181 20 0 GIADRO COc1ccc(-c2ccc(C[NH2+]Cc3cn(C)nc3-c3cccnc3)cc2)cc1 ZINC000174575232 822807059 /nfs/dbraw/zinc/80/70/59/822807059.db2.gz BCEUVXAWYRPQOL-UHFFFAOYSA-N 1 0 384.483 4.448 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1ccc(C)cc1C ZINC000185655105 822807373 /nfs/dbraw/zinc/80/73/73/822807373.db2.gz NHTIUAOYPSQYAL-UKRRQHHQSA-N 1 0 396.457 4.357 20 0 GIADRO CC(C)c1ncsc1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000456444383 822807462 /nfs/dbraw/zinc/80/74/62/822807462.db2.gz WCPHNNZPZXWJAB-HNNXBMFYSA-N 1 0 379.476 4.362 20 0 GIADRO C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3ccc(Cl)c4cccnc34)CC2)C1 ZINC000052703215 822807627 /nfs/dbraw/zinc/80/76/27/822807627.db2.gz MVKUBUAPRUBKRV-MRXNPFEDSA-N 1 0 385.939 4.359 20 0 GIADRO Cc1nc(-c2ccc(CC[NH2+][C@@H](C(=O)NC3CC3)c3ccccc3)cc2)cs1 ZINC000052724647 822808650 /nfs/dbraw/zinc/80/86/50/822808650.db2.gz DNVKWZGMKGCCBA-JOCHJYFZSA-N 1 0 391.540 4.271 20 0 GIADRO Cc1ccccc1C(=O)NC1CC[NH+](Cc2ccc(F)c3cccnc23)CC1 ZINC000052747624 822809317 /nfs/dbraw/zinc/80/93/17/822809317.db2.gz WTMNKGFRLUDZON-UHFFFAOYSA-N 1 0 377.463 4.077 20 0 GIADRO C[N@H+](CCSc1nnc(C2CC2)n1Cc1ccco1)Cc1ccc(F)cc1 ZINC000185682667 822809763 /nfs/dbraw/zinc/80/97/63/822809763.db2.gz YKXXVERGQMXZBK-UHFFFAOYSA-N 1 0 386.496 4.160 20 0 GIADRO CC1(C(=O)N[C@H]2CCO[C@H](c3cccs3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000456498621 822810517 /nfs/dbraw/zinc/81/05/17/822810517.db2.gz FVXDUUHFWWKXNM-PMACEKPBSA-N 1 0 398.572 4.387 20 0 GIADRO CC1(C(=O)N[C@@H]2CCO[C@@H](c3cccs3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000456498641 822810520 /nfs/dbraw/zinc/81/05/20/822810520.db2.gz FVXDUUHFWWKXNM-WOJBJXKFSA-N 1 0 398.572 4.387 20 0 GIADRO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+]([C@@H](C)c3ncc(-c4ccccc4)o3)C2)nc1 ZINC000174605621 822811301 /nfs/dbraw/zinc/81/13/01/822811301.db2.gz XBTGILMWNRQEPA-PKOBYXMFSA-N 1 0 390.487 4.457 20 0 GIADRO OC1(c2cccnc2)CCC([NH2+]Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC000185700073 822811487 /nfs/dbraw/zinc/81/14/87/822811487.db2.gz VBSIISNTNYHDBD-UHFFFAOYSA-N 1 0 382.838 4.256 20 0 GIADRO CCC(=O)Nc1cccc(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)c1 ZINC000052822815 822811989 /nfs/dbraw/zinc/81/19/89/822811989.db2.gz BPTXHRHAQDVNEV-FQEVSTJZSA-N 1 0 399.922 4.255 20 0 GIADRO Cc1nnc(-c2cccc(C(=O)Nc3cccc(C[NH+]4CCCCC4)c3)c2)o1 ZINC000174608040 822811971 /nfs/dbraw/zinc/81/19/71/822811971.db2.gz RXBNZTYCUPSULQ-UHFFFAOYSA-N 1 0 376.460 4.283 20 0 GIADRO COc1cc(OC)cc(N2CC[C@@H](C[NH2+][C@H](C)c3cc(Cl)ccc3O)C2)c1 ZINC000185708462 822812648 /nfs/dbraw/zinc/81/26/48/822812648.db2.gz CJIKVICOHXNYMH-CABCVRRESA-N 1 0 390.911 4.240 20 0 GIADRO Cc1noc([C@H]2CCC[N@H+](Cc3cccc(C(=O)Nc4ccccc4)c3)C2)n1 ZINC000052863712 822813382 /nfs/dbraw/zinc/81/33/82/822813382.db2.gz FDBIQLZCKXPIFR-IBGZPJMESA-N 1 0 376.460 4.010 20 0 GIADRO CCOC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)C1 ZINC000052871064 822813505 /nfs/dbraw/zinc/81/35/05/822813505.db2.gz RMDFRBSDAHGLBH-UWJYYQICSA-N 1 0 395.503 4.210 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCN(c2ncccc2Cl)C1)c1ccc(Br)cc1O ZINC000185719219 822814070 /nfs/dbraw/zinc/81/40/70/822814070.db2.gz RPHQQIHCXBMKIW-YPMHNXCESA-N 1 0 396.716 4.133 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CCO[C@@H](c3cccs3)C2)cc1)C1CC1 ZINC000456539193 822814081 /nfs/dbraw/zinc/81/40/81/822814081.db2.gz OFGNMGDBFOYYRM-UYAOXDASSA-N 1 0 384.545 4.383 20 0 GIADRO C[C@H](N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000185722610 822814354 /nfs/dbraw/zinc/81/43/54/822814354.db2.gz QXZDEHOIYQIBEP-HRCADAONSA-N 1 0 397.485 4.275 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)NCc2coc(-c3ccccc3)n2)cc1 ZINC000174634120 822815305 /nfs/dbraw/zinc/81/53/05/822815305.db2.gz NZTDFJXBYXXRCS-UHFFFAOYSA-N 1 0 392.503 4.183 20 0 GIADRO Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000174635737 822815692 /nfs/dbraw/zinc/81/56/92/822815692.db2.gz QQYBOFXNCLFLBJ-CVEARBPZSA-N 1 0 375.925 4.081 20 0 GIADRO CC(C)(C)OC(=O)NC1CC[NH+](Cc2ccc(Cl)c3cccnc23)CC1 ZINC000052926524 822815887 /nfs/dbraw/zinc/81/58/87/822815887.db2.gz HVSRMWYNTRJICB-UHFFFAOYSA-N 1 0 375.900 4.377 20 0 GIADRO O=C(c1ccc(-c2cncnc2)cc1F)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000185736289 822815963 /nfs/dbraw/zinc/81/59/63/822815963.db2.gz CIKDHFCYUVODGW-UHFFFAOYSA-N 1 0 396.510 4.011 20 0 GIADRO C[C@H](NCC(=O)Nc1cccc(Cl)c1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185739647 822816482 /nfs/dbraw/zinc/81/64/82/822816482.db2.gz BXIYCHGAOLLKOI-UONOGXRCSA-N 1 0 384.351 4.175 20 0 GIADRO CCC[C@H](NC(=O)[C@H](C)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccccc1 ZINC000185745257 822816940 /nfs/dbraw/zinc/81/69/40/822816940.db2.gz RFWWCLHNFKFCAR-VKUXKFIQSA-N 1 0 385.596 4.275 20 0 GIADRO C[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cccc(-n2ccnc2)c1 ZINC000174651412 822817908 /nfs/dbraw/zinc/81/79/08/822817908.db2.gz JSWJIBAUELLSCM-MSOLQXFVSA-N 1 0 384.524 4.170 20 0 GIADRO CCC[N@H+](CC)CCNC(=O)c1ccc(SCc2csc(C)n2)cc1 ZINC000174654916 822818592 /nfs/dbraw/zinc/81/85/92/822818592.db2.gz QRDXNAJLEFUPFS-UHFFFAOYSA-N 1 0 377.579 4.206 20 0 GIADRO CC1=NN(c2ccc(C(=O)NCc3ccccc3C[N@@H+](C)C(C)C)cc2)CC1 ZINC000053016681 822818639 /nfs/dbraw/zinc/81/86/39/822818639.db2.gz ASQOPJJVQRWSGD-UHFFFAOYSA-N 1 0 378.520 4.043 20 0 GIADRO C[N@H+](Cc1ccc(Br)s1)C1CCN(CCc2ccccn2)CC1 ZINC000174655220 822818666 /nfs/dbraw/zinc/81/86/66/822818666.db2.gz DILLAOGREQTLCD-UHFFFAOYSA-N 1 0 394.382 4.045 20 0 GIADRO CN(Cc1csc(C2CCCC2)n1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000174659348 822819760 /nfs/dbraw/zinc/81/97/60/822819760.db2.gz LXLPSPOFPVKDQG-UHFFFAOYSA-N 1 0 384.593 4.335 20 0 GIADRO Cc1oc2ccccc2c1C(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000185789670 822821439 /nfs/dbraw/zinc/82/14/39/822821439.db2.gz VQIMFTUCYBPLJR-IRXDYDNUSA-N 1 0 384.520 4.093 20 0 GIADRO O=C(NCC1(CCOCc2ccccc2)CC1)NC1CC[NH+](C2CCCC2)CC1 ZINC000185795015 822821866 /nfs/dbraw/zinc/82/18/66/822821866.db2.gz HSVQNZJAQJMEPP-UHFFFAOYSA-N 1 0 399.579 4.080 20 0 GIADRO Cc1csc2nc(C[NH2+][C@@H](C)[C@H](C)c3ccccc3C(F)(F)F)cc(=O)n12 ZINC000185799562 822822241 /nfs/dbraw/zinc/82/22/41/822822241.db2.gz CLJBYXBKGIQOFO-STQMWFEESA-N 1 0 395.450 4.365 20 0 GIADRO COc1cccc(C[NH+]2CCC(NC(=O)c3oc4c(cccc4C)c3C)CC2)c1 ZINC000053120351 822822618 /nfs/dbraw/zinc/82/26/18/822822618.db2.gz YFXKQHLQHAHVFX-UHFFFAOYSA-N 1 0 392.499 4.453 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)c2ccc(COc3ccc(C)cc3C)o2)CC1 ZINC000053138818 822823219 /nfs/dbraw/zinc/82/32/19/822823219.db2.gz OEXYOFBWASRYOY-UHFFFAOYSA-N 1 0 384.520 4.422 20 0 GIADRO CCC(CC)(Cc1nc2ccccc2s1)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000174685641 822823178 /nfs/dbraw/zinc/82/31/78/822823178.db2.gz GMAHBOPXYRMUSM-SJORKVTESA-N 1 0 385.577 4.340 20 0 GIADRO CCO[C@H](C)c1nc(CC(=O)N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)cs1 ZINC000456694696 822823539 /nfs/dbraw/zinc/82/35/39/822823539.db2.gz ODVUGJWNFCYLAK-MRXNPFEDSA-N 1 0 395.613 4.142 20 0 GIADRO C[C@H]([NH2+]Cc1nc2ccccc2c(=O)n1C)[C@@H](C)c1ccccc1C(F)(F)F ZINC000185824125 822824752 /nfs/dbraw/zinc/82/47/52/822824752.db2.gz JIUPUWFHLYSDMY-KGLIPLIRSA-N 1 0 389.421 4.234 20 0 GIADRO C[C@@H]([NH2+]Cc1cc(=O)n2ccsc2n1)[C@H](C)c1ccccc1C(F)(F)F ZINC000185829392 822825137 /nfs/dbraw/zinc/82/51/37/822825137.db2.gz HEXZEFHYUFGVEW-NWDGAFQWSA-N 1 0 381.423 4.057 20 0 GIADRO CCCc1noc(CCCC(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)n1 ZINC000053187658 822825409 /nfs/dbraw/zinc/82/54/09/822825409.db2.gz GXQXQYMNFCYKKV-GOSISDBHSA-N 1 0 398.551 4.036 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)c1ccc(C(F)(F)F)cc1N1CCCC1 ZINC000456720960 822826887 /nfs/dbraw/zinc/82/68/87/822826887.db2.gz FVKPDPWDDLAXSU-UHFFFAOYSA-N 1 0 395.469 4.052 20 0 GIADRO C[NH+](C)Cc1cccc(C(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)c1 ZINC000174711215 822827173 /nfs/dbraw/zinc/82/71/73/822827173.db2.gz IYFGULNNMHWXGT-UHFFFAOYSA-N 1 0 386.908 4.096 20 0 GIADRO CC(C)(C(=O)NC1CC[NH+](C2CCC2)CC1)c1csc(-c2cccs2)n1 ZINC000456725306 822827199 /nfs/dbraw/zinc/82/71/99/822827199.db2.gz JCJUZRYLBMABHQ-UHFFFAOYSA-N 1 0 389.590 4.282 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)cc1)C(C)C ZINC000185858483 822827794 /nfs/dbraw/zinc/82/77/94/822827794.db2.gz NMJSIKTXSBSCLY-UHFFFAOYSA-N 1 0 380.492 4.147 20 0 GIADRO COc1cc(NC(=O)CC[N@H+](C)Cc2ccc(F)c(F)c2)c(OC)cc1Cl ZINC000174718190 822827926 /nfs/dbraw/zinc/82/79/26/822827926.db2.gz NQYBYQBDNDABLB-UHFFFAOYSA-N 1 0 398.837 4.096 20 0 GIADRO C[C@@H]([NH2+]CCC(=O)Nc1cccc(Cl)c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000174721778 822828567 /nfs/dbraw/zinc/82/85/67/822828567.db2.gz SUNYUTXWUCOGLR-CQSZACIVSA-N 1 0 385.895 4.368 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)CSc2cc(C)ccc2C)CC1 ZINC000053280103 822828996 /nfs/dbraw/zinc/82/89/96/822828996.db2.gz KGYPLXGNUBEESV-UHFFFAOYSA-N 1 0 383.561 4.176 20 0 GIADRO COCc1c(C(=O)NCC[N@H+](C)Cc2ccccc2)sc2cccc(F)c21 ZINC000053348755 822831192 /nfs/dbraw/zinc/83/11/92/822831192.db2.gz UTZYMMKGZVNWFL-UHFFFAOYSA-N 1 0 386.492 4.049 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)Cc2cccc(F)c2F)CC1 ZINC000456790289 822831283 /nfs/dbraw/zinc/83/12/83/822831283.db2.gz KPVRCXRQLARSHI-UHFFFAOYSA-N 1 0 394.849 4.272 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)[C@@H]2CCc3ccccc32)CC1 ZINC000456790843 822831388 /nfs/dbraw/zinc/83/13/88/822831388.db2.gz MDNIYADONPQNGK-LJQANCHMSA-N 1 0 384.907 4.482 20 0 GIADRO CCCc1cc(C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)ccn1 ZINC000456795150 822831863 /nfs/dbraw/zinc/83/18/63/822831863.db2.gz SMFRTMHSFMLAEN-UHFFFAOYSA-N 1 0 387.911 4.413 20 0 GIADRO Cc1cc(Br)ccc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000174760446 822833859 /nfs/dbraw/zinc/83/38/59/822833859.db2.gz NNIQRGIBIXJCEQ-CVEARBPZSA-N 1 0 380.330 4.237 20 0 GIADRO Cc1nc(C)c(C(=O)N(CCC[NH+](C)C)Cc2ccc(Cl)c(Cl)c2)o1 ZINC000174762461 822833907 /nfs/dbraw/zinc/83/39/07/822833907.db2.gz DJQAIDFUCYKLMG-UHFFFAOYSA-N 1 0 384.307 4.192 20 0 GIADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2cccc(NC(=O)c3ccco3)c2)C1 ZINC000053417550 822833974 /nfs/dbraw/zinc/83/39/74/822833974.db2.gz NZFMMZMPZJSEQM-QZTJIDSGSA-N 1 0 397.519 4.020 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H](c1ncc(C)s1)C1CC1 ZINC000174786081 822836834 /nfs/dbraw/zinc/83/68/34/822836834.db2.gz SRBDADJBVWIARQ-LJQANCHMSA-N 1 0 386.565 4.244 20 0 GIADRO CCCC(=O)Nc1cccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1C ZINC000174794623 822837883 /nfs/dbraw/zinc/83/78/83/822837883.db2.gz XSTLBYKLGYWBCZ-MSOLQXFVSA-N 1 0 386.540 4.213 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=S)Nc2ccc3c(c2)CCC3)CC1 ZINC000053519774 822838449 /nfs/dbraw/zinc/83/84/49/822838449.db2.gz CJMOHCBGQOORJK-UHFFFAOYSA-N 1 0 379.573 4.435 20 0 GIADRO C[C@H](NC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccc(F)cc1F ZINC000053524027 822838713 /nfs/dbraw/zinc/83/87/13/822838713.db2.gz YBGVTTSDZUAYRM-KBXCAEBGSA-N 1 0 377.435 4.145 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)N1CCC(c2nc3ccccc3o2)CC1)c1cccs1 ZINC000053528410 822839297 /nfs/dbraw/zinc/83/92/97/822839297.db2.gz IMWWFHPCHUEKIY-QGZVFWFLSA-N 1 0 398.532 4.081 20 0 GIADRO COc1cc(C[NH2+][C@H](C)c2ccc(C)cc2O)cc(Br)c1OC ZINC000185978025 822840148 /nfs/dbraw/zinc/84/01/48/822840148.db2.gz RFKNYVXZIAQDDD-GFCCVEGCSA-N 1 0 380.282 4.331 20 0 GIADRO C[C@@H](NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccc(F)cc1F ZINC000053548416 822840478 /nfs/dbraw/zinc/84/04/78/822840478.db2.gz DQBVKHKZCSDXKJ-DYVFJYSZSA-N 1 0 379.476 4.224 20 0 GIADRO CN(Cc1ccc(Cl)cc1)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000053547880 822840500 /nfs/dbraw/zinc/84/05/00/822840500.db2.gz QVCCUDAJEGETNC-QGZVFWFLSA-N 1 0 377.941 4.380 20 0 GIADRO Cc1nc2ccc(NC(=O)N(C)C[C@H]3CC[N@H+](Cc4ccccc4)C3)cc2o1 ZINC000174809693 822840543 /nfs/dbraw/zinc/84/05/43/822840543.db2.gz OBYMKOCTYNXFQO-GOSISDBHSA-N 1 0 378.476 4.122 20 0 GIADRO COc1cccc([C@H]2C[C@H](N(C)C(=O)C3CC[NH+](Cc4ccccc4)CC3)C2)c1 ZINC000456932400 822842730 /nfs/dbraw/zinc/84/27/30/822842730.db2.gz ZPZZXPQHUPXJNS-YHBQERECSA-N 1 0 392.543 4.312 20 0 GIADRO O=C(Nc1cnn(Cc2ccccc2)c1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000174830608 822843243 /nfs/dbraw/zinc/84/32/43/822843243.db2.gz JFAINDGWXOOMGR-NRFANRHFSA-N 1 0 395.551 4.051 20 0 GIADRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)N(C)CCC[NH+](C)C ZINC000186033969 822845715 /nfs/dbraw/zinc/84/57/15/822845715.db2.gz OZOKQXSGGLIDTE-CQSZACIVSA-N 1 0 394.972 4.426 20 0 GIADRO CC1(C(=O)N2CC[C@H](Oc3cccc(F)c3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000186037638 822846001 /nfs/dbraw/zinc/84/60/01/822846001.db2.gz RMWQMWMMVQPWSP-QFIPXVFZSA-N 1 0 396.506 4.108 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)C2CCN(CC(F)(F)F)CC2)cc1 ZINC000053721983 822846211 /nfs/dbraw/zinc/84/62/11/822846211.db2.gz XSDYGJTYVFDCAH-MRXNPFEDSA-N 1 0 397.485 4.274 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)Cc2cc3ccccc3[nH]c2=O)cc1 ZINC000053721973 822846249 /nfs/dbraw/zinc/84/62/49/822846249.db2.gz IHPGGOYLHGSHPC-QGZVFWFLSA-N 1 0 389.499 4.084 20 0 GIADRO COc1ccc(CN2CC[C@H]([NH2+][C@@H](C)c3ccc4ccccc4c3O)C2=O)cc1 ZINC000186050179 822847368 /nfs/dbraw/zinc/84/73/68/822847368.db2.gz QIJWPJUWNPGRKM-AOMKIAJQSA-N 1 0 390.483 4.006 20 0 GIADRO COc1ccc(CN2CC[C@H]([NH2+][C@H](C)c3ccc4ccccc4c3O)C2=O)cc1 ZINC000186050192 822847393 /nfs/dbraw/zinc/84/73/93/822847393.db2.gz QIJWPJUWNPGRKM-ZHRRBRCNSA-N 1 0 390.483 4.006 20 0 GIADRO C[C@H]([NH2+]CCc1nc2cc(F)ccc2n1C)c1ccc(Br)cc1O ZINC000186061288 822848317 /nfs/dbraw/zinc/84/83/17/822848317.db2.gz CGNQALZDXJMWKY-NSHDSACASA-N 1 0 392.272 4.074 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(COC)c1 ZINC000174865365 822848583 /nfs/dbraw/zinc/84/85/83/822848583.db2.gz GFUYMZPCCDIKLA-NRFANRHFSA-N 1 0 381.520 4.209 20 0 GIADRO Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)Nc2cccc(C[NH+](C)C)c2)cc1 ZINC000174867889 822848687 /nfs/dbraw/zinc/84/86/87/822848687.db2.gz JIHLDUBDBFGFNI-QHCPKHFHSA-N 1 0 395.547 4.312 20 0 GIADRO CC(=O)Nc1ccc(F)c(C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000053809692 822848912 /nfs/dbraw/zinc/84/89/12/822848912.db2.gz HZMUVLPKAYNSOF-OAHLLOKOSA-N 1 0 383.467 4.268 20 0 GIADRO Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)Nc2cccc(C[NH+](C)C)c2)cc1 ZINC000174868511 822848945 /nfs/dbraw/zinc/84/89/45/822848945.db2.gz HAMBSBFYIUNFFB-IRLDBZIGSA-N 1 0 381.520 4.346 20 0 GIADRO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCC[N@@H+]1CCCC1(C)C ZINC000457067412 822849711 /nfs/dbraw/zinc/84/97/11/822849711.db2.gz CBKLOBWPMKSWGJ-UHFFFAOYSA-N 1 0 379.863 4.047 20 0 GIADRO Cc1cccc(C)c1NC(=O)CCC[N@@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000186088145 822850500 /nfs/dbraw/zinc/85/05/00/822850500.db2.gz AOVBPDHYMFEIOP-QFIPXVFZSA-N 1 0 380.532 4.356 20 0 GIADRO Cc1cc(C(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)c(C(F)(F)F)o1 ZINC000457076672 822850618 /nfs/dbraw/zinc/85/06/18/822850618.db2.gz YZHJZBFYCGJTHO-UHFFFAOYSA-N 1 0 386.336 4.096 20 0 GIADRO CN(C(=O)c1cccc([C@H]2CCCOC2)c1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457078741 822850662 /nfs/dbraw/zinc/85/06/62/822850662.db2.gz DRPYAZWJSIJKFZ-SFHVURJKSA-N 1 0 398.469 4.069 20 0 GIADRO Cc1ccc2cccc(C(=O)N(C)C3CC[NH+](CCC(F)(F)F)CC3)c2n1 ZINC000457080445 822850875 /nfs/dbraw/zinc/85/08/75/822850875.db2.gz FZGCSQUTHBCNEJ-UHFFFAOYSA-N 1 0 379.426 4.032 20 0 GIADRO CN(C(=O)CCc1ccc(Cl)s1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457083743 822851254 /nfs/dbraw/zinc/85/12/54/822851254.db2.gz KQBLZDHNVANOQN-UHFFFAOYSA-N 1 0 382.879 4.209 20 0 GIADRO CN(C(=O)c1cc(Cl)cc(Cl)c1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457084501 822851514 /nfs/dbraw/zinc/85/15/14/822851514.db2.gz LIZWBONIISYTSG-UHFFFAOYSA-N 1 0 383.241 4.482 20 0 GIADRO Cc1onc(-c2ccccc2)c1C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457087051 822851826 /nfs/dbraw/zinc/85/18/26/822851826.db2.gz PMTOOKMWKXAGLW-UHFFFAOYSA-N 1 0 395.425 4.139 20 0 GIADRO C[C@H]([NH2+][C@@H](CO)c1cccc(Br)c1)c1cc2c(cc1O)CCCC2 ZINC000186121879 822853606 /nfs/dbraw/zinc/85/36/06/822853606.db2.gz SWPMGGDEWCILEX-DJJJIMSYSA-N 1 0 390.321 4.418 20 0 GIADRO O=C(N[C@@H]1CCC[C@H](c2cccc(Cl)c2)C1)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000457107455 822853687 /nfs/dbraw/zinc/85/36/87/822853687.db2.gz BYJSZVRFZQWMJC-DSKINZAPSA-N 1 0 390.955 4.126 20 0 GIADRO Cc1noc(C)c1CSc1ccccc1C(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000457110088 822854036 /nfs/dbraw/zinc/85/40/36/822854036.db2.gz HSOIPDYBFYDKJU-QGZVFWFLSA-N 1 0 387.549 4.138 20 0 GIADRO CCOc1cc(C[NH2+][C@@H](c2ccccc2)C2CC2)ccc1O[C@H](C)C(=O)N(C)C ZINC000053954015 822854123 /nfs/dbraw/zinc/85/41/23/822854123.db2.gz HESGXJFKXGOWEN-HXOBKFHXSA-N 1 0 396.531 4.182 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1ccn(C2CCCC2)n1)c1cccc(C(F)(F)F)c1 ZINC000186129495 822854159 /nfs/dbraw/zinc/85/41/59/822854159.db2.gz MAHQHPMXVVQVJV-SFHVURJKSA-N 1 0 394.441 4.050 20 0 GIADRO Cc1ccc(C(=O)CCC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000053968001 822854938 /nfs/dbraw/zinc/85/49/38/822854938.db2.gz ITWIUQALUHDWPS-UHFFFAOYSA-N 1 0 378.516 4.047 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccccc2N2CCc3ccccc32)CC[N@@H+]1C ZINC000174914124 822855095 /nfs/dbraw/zinc/85/50/95/822855095.db2.gz MDPANQKIIXNUFP-HKUYNNGSSA-N 1 0 378.520 4.327 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1cccc(N2CCCC2=O)c1)c1ccccc1 ZINC000053974239 822855109 /nfs/dbraw/zinc/85/51/09/822855109.db2.gz ALTMLQVKSOVDLN-NRFANRHFSA-N 1 0 394.519 4.018 20 0 GIADRO CC(C)c1noc2nc(-c3ccco3)cc(C(=O)N(C)[C@H]3CC[N@@H+](C(C)C)C3)c21 ZINC000457122549 822855373 /nfs/dbraw/zinc/85/53/73/822855373.db2.gz OUCFXWQCPXHEDJ-HNNXBMFYSA-N 1 0 396.491 4.161 20 0 GIADRO CC(C)C[C@H](C)C(=O)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000457125565 822855743 /nfs/dbraw/zinc/85/57/43/822855743.db2.gz YRNISIBWYXJPCQ-SFHVURJKSA-N 1 0 391.987 4.135 20 0 GIADRO CC(C)c1ccc2cc(C(=O)NC3CC[NH+](Cc4ccccn4)CC3)[nH]c2c1 ZINC000053991254 822856036 /nfs/dbraw/zinc/85/60/36/822856036.db2.gz JAPMCMBHTDNACM-UHFFFAOYSA-N 1 0 376.504 4.081 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)N2CCC3(CC2)OCCc2ccccc23)cc1 ZINC000457130268 822856129 /nfs/dbraw/zinc/85/61/29/822856129.db2.gz FZFYGHRAZAXPGZ-UHFFFAOYSA-N 1 0 392.543 4.233 20 0 GIADRO O=C(Nc1cc(F)ccc1F)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000054001769 822856595 /nfs/dbraw/zinc/85/65/95/822856595.db2.gz UIODRVVFTXLXGT-UHFFFAOYSA-N 1 0 379.838 4.404 20 0 GIADRO C[N@H+](CCCCNC(=O)c1ccc(Br)cc1C(F)(F)F)C1CC1 ZINC000457162468 822858271 /nfs/dbraw/zinc/85/82/71/822858271.db2.gz FWFDSHLJTSEHMT-UHFFFAOYSA-N 1 0 393.247 4.072 20 0 GIADRO CSCCCCCNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000186177499 822858270 /nfs/dbraw/zinc/85/82/70/822858270.db2.gz IMSMFIBAIXZUBO-UYAOXDASSA-N 1 0 377.598 4.214 20 0 GIADRO C[N@H+](CCCCNC(=O)C(C)(C)c1csc(-c2ccccc2F)n1)C1CC1 ZINC000457168020 822858543 /nfs/dbraw/zinc/85/85/43/822858543.db2.gz NDGPRLUTAJKTCG-UHFFFAOYSA-N 1 0 389.540 4.217 20 0 GIADRO C[N@H+](CCCCNC(=O)CCc1cc(Cl)ccc1Br)C1CC1 ZINC000457175264 822859103 /nfs/dbraw/zinc/85/91/03/822859103.db2.gz XKFXKRYRFJHCGO-UHFFFAOYSA-N 1 0 387.749 4.026 20 0 GIADRO COCCCCC(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457192532 822859707 /nfs/dbraw/zinc/85/97/07/822859707.db2.gz CWOOOYVAUMHVGQ-HSZRJFAPSA-N 1 0 386.580 4.487 20 0 GIADRO Cc1cnc(C(=O)N2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000457197198 822860180 /nfs/dbraw/zinc/86/01/80/822860180.db2.gz TWMKFFBVQMNHQF-HSZRJFAPSA-N 1 0 392.547 4.082 20 0 GIADRO C[N@H+](CCCCNC(=O)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1)C1CC1 ZINC000457202217 822860431 /nfs/dbraw/zinc/86/04/31/822860431.db2.gz NFWOKFOGZBQTMC-MSOLQXFVSA-N 1 0 383.561 4.337 20 0 GIADRO O=C(c1ccc(Cl)cc1C(F)(F)F)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000186204500 822860793 /nfs/dbraw/zinc/86/07/93/822860793.db2.gz JVDRNGRNOWTPNQ-SJCJKPOMSA-N 1 0 386.845 4.448 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000054119969 822862877 /nfs/dbraw/zinc/86/28/77/822862877.db2.gz CLFIAPZQAXURSV-LEWJYISDSA-N 1 0 386.898 4.363 20 0 GIADRO O=C(Nc1ccc(F)c(Cl)c1)C1CC[NH+](Cc2cc(O)cc(F)c2)CC1 ZINC000186229334 822862868 /nfs/dbraw/zinc/86/28/68/822862868.db2.gz HQJZOMNFTQBYCB-UHFFFAOYSA-N 1 0 380.822 4.175 20 0 GIADRO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000186233592 822863364 /nfs/dbraw/zinc/86/33/64/822863364.db2.gz IDKPAMRKGPSGSW-KSSFIOAISA-N 1 0 379.909 4.006 20 0 GIADRO Cc1ccc(NC(=O)[C@H](C)c2cc3ccccc3o2)cc1NC(=O)CC[NH+](C)C ZINC000186234715 822863457 /nfs/dbraw/zinc/86/34/57/822863457.db2.gz MHYLRYOEUYBJGK-MRXNPFEDSA-N 1 0 393.487 4.374 20 0 GIADRO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000186248512 822864589 /nfs/dbraw/zinc/86/45/89/822864589.db2.gz VINRLQRPNZRRAA-INIZCTEOSA-N 1 0 378.476 4.105 20 0 GIADRO CC1(C)OCc2cc(C[N@@H+]3CCC[C@H](c4nnc5n4CCCCC5)C3)ccc2O1 ZINC000186251615 822865081 /nfs/dbraw/zinc/86/50/81/822865081.db2.gz SHCBDGCSGAEDLE-SFHVURJKSA-N 1 0 396.535 4.029 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)Nc2ccc(OC(C)C)c(OC)c2)CC1 ZINC000186252651 822865240 /nfs/dbraw/zinc/86/52/40/822865240.db2.gz KAMBYAUTMYGSNS-UHFFFAOYSA-N 1 0 391.556 4.458 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)N[C@@H](Cc2ccc(C)cc2)c2ccccn2)CC1 ZINC000174998189 822865447 /nfs/dbraw/zinc/86/54/47/822865447.db2.gz IXLAPDXUCGKCRY-QHCPKHFHSA-N 1 0 394.563 4.095 20 0 GIADRO Cc1c(COc2ccccc2)cccc1NC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000175000009 822865808 /nfs/dbraw/zinc/86/58/08/822865808.db2.gz CBEXNANPLSQFQR-FQEVSTJZSA-N 1 0 379.504 4.276 20 0 GIADRO CNC(=O)c1ccc(C[N@H+](Cc2ccc(F)c(Br)c2)C2CC2)cc1 ZINC000054174022 822865958 /nfs/dbraw/zinc/86/59/58/822865958.db2.gz HXEGZASDXXIJDI-UHFFFAOYSA-N 1 0 391.284 4.112 20 0 GIADRO Cc1ccccc1O[C@@H]1CCCC[C@@H]1[NH2+]CCc1nc2ccccc2c(=O)[nH]1 ZINC000568967921 822866064 /nfs/dbraw/zinc/86/60/64/822866064.db2.gz MJJWHDQPNUTAAU-PZJWPPBQSA-N 1 0 377.488 4.166 20 0 GIADRO Cc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1NC(=O)CC[NH+](C)C ZINC000186265641 822867042 /nfs/dbraw/zinc/86/70/42/822867042.db2.gz AUVMKQJELMOPQT-UHFFFAOYSA-N 1 0 394.302 4.444 20 0 GIADRO Cc1ccc(NC(=O)C/C=C/c2ccc(F)cc2)cc1NC(=O)CC[NH+](C)C ZINC000186266717 822867193 /nfs/dbraw/zinc/86/71/93/822867193.db2.gz AZALUDPEAODJJP-SNAWJCMRSA-N 1 0 383.467 4.066 20 0 GIADRO Cc1ccc(NC(=O)[C@@H](C)CCc2ccccc2F)cc1NC(=O)CC[NH+](C)C ZINC000186268725 822867552 /nfs/dbraw/zinc/86/75/52/822867552.db2.gz NUSBOFJPVBSYSW-KRWDZBQOSA-N 1 0 399.510 4.232 20 0 GIADRO Cc1ccc(NC(=O)[C@H](C)CCc2ccccc2F)cc1NC(=O)CC[NH+](C)C ZINC000186268746 822867554 /nfs/dbraw/zinc/86/75/54/822867554.db2.gz NUSBOFJPVBSYSW-QGZVFWFLSA-N 1 0 399.510 4.232 20 0 GIADRO Cc1ccc(NC(=O)Cc2cccc3ccccc32)cc1NC(=O)CC[NH+](C)C ZINC000186273122 822868058 /nfs/dbraw/zinc/86/80/58/822868058.db2.gz DFIVDVZPTYVRQT-UHFFFAOYSA-N 1 0 389.499 4.220 20 0 GIADRO O=C(Nc1ccc2c(c1F)CC[NH2+]C2)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000568996109 822868281 /nfs/dbraw/zinc/86/82/81/822868281.db2.gz VUXCJEUBKNPYJD-GOSISDBHSA-N 1 0 383.442 4.368 20 0 GIADRO Cc1ccc(NC(=O)C2(c3cccc(Cl)c3)CC2)cc1NC(=O)CC[NH+](C)C ZINC000186273641 822868349 /nfs/dbraw/zinc/86/83/49/822868349.db2.gz DYBXUVSAZCBNHK-UHFFFAOYSA-N 1 0 399.922 4.209 20 0 GIADRO Cc1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1NC(=O)CC[NH+](C)C ZINC000186274592 822868576 /nfs/dbraw/zinc/86/85/76/822868576.db2.gz JEAOHCSADTVSAY-UHFFFAOYSA-N 1 0 393.409 4.156 20 0 GIADRO C/C(=C\C(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1)c1cccc(F)c1 ZINC000186275736 822868787 /nfs/dbraw/zinc/86/87/87/822868787.db2.gz LOVCTUKEKKWNHK-FOWTUZBSSA-N 1 0 383.467 4.066 20 0 GIADRO CC(C)c1ccc(C(=O)N2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)s1 ZINC000186277162 822869161 /nfs/dbraw/zinc/86/91/61/822869161.db2.gz LBOBXYWLTRJFFX-IRXDYDNUSA-N 1 0 378.582 4.223 20 0 GIADRO O=C(Nc1ccc(-n2ccnc2)c(F)c1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000054224368 822869532 /nfs/dbraw/zinc/86/95/32/822869532.db2.gz ARQGRVKADUCALR-UHFFFAOYSA-N 1 0 378.451 4.250 20 0 GIADRO C[NH+](C)Cc1ccc(C(=O)N2CCCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)cn1 ZINC000457352012 822869580 /nfs/dbraw/zinc/86/95/80/822869580.db2.gz DSESBBILJKXFKN-LJQANCHMSA-N 1 0 397.910 4.040 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1CC[C@](F)(c2ccccc2F)C1 ZINC000569013644 822869676 /nfs/dbraw/zinc/86/96/76/822869676.db2.gz KRDGIKKYTLPABI-HSZRJFAPSA-N 1 0 399.485 4.202 20 0 GIADRO COc1cc(C(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)ccc1OC(C)C ZINC000054226545 822869781 /nfs/dbraw/zinc/86/97/81/822869781.db2.gz XYLLYPACECDWPH-PXNSSMCTSA-N 1 0 382.504 4.048 20 0 GIADRO Cc1nn(Cc2ccccc2Cl)c(C)c1CN1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000569014690 822869996 /nfs/dbraw/zinc/86/99/96/822869996.db2.gz LNNIVUZADOFASW-QFIPXVFZSA-N 1 0 386.971 4.119 20 0 GIADRO CSc1ccc(Cl)c(C(=O)N2CC[C@H](c3ccc(F)cc3)[C@H]([NH3+])C2)c1 ZINC000457361097 822870174 /nfs/dbraw/zinc/87/01/74/822870174.db2.gz GYIPTDDMOZKOAA-CRAIPNDOSA-N 1 0 378.900 4.158 20 0 GIADRO CC[NH2+]Cc1cccc(NC(=O)[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000457363083 822870451 /nfs/dbraw/zinc/87/04/51/822870451.db2.gz MRNOIRMVZYGALU-APWZRJJASA-N 1 0 376.859 4.305 20 0 GIADRO Cc1ccc(-c2nc(C(=O)N3CC[C@@H](c4ccc(F)cc4)[C@@H]([NH3+])C3)cs2)cc1 ZINC000457369120 822870766 /nfs/dbraw/zinc/87/07/66/822870766.db2.gz MSTQRVYNPPAARS-OALUTQOASA-N 1 0 395.503 4.215 20 0 GIADRO COc1ccc([C@@H]2CCN(C(=O)c3c(Cl)cccc3Cl)C[C@@H]2[NH3+])cc1F ZINC000457367895 822870825 /nfs/dbraw/zinc/87/08/25/822870825.db2.gz FCSLYOHCNSOPLQ-LRDDRELGSA-N 1 0 397.277 4.098 20 0 GIADRO Cc1c(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)cccc1-c1ccccn1 ZINC000457383563 822871856 /nfs/dbraw/zinc/87/18/56/822871856.db2.gz QWIIIRAYCNBZTO-VXKWHMMOSA-N 1 0 389.474 4.153 20 0 GIADRO O=c1[nH]c(CC[N@H+]2CCC[C@@H]2c2cccc(Br)c2)nc2ccccc21 ZINC000054271549 822872297 /nfs/dbraw/zinc/87/22/97/822872297.db2.gz ZWDDBRCRNXEMQQ-GOSISDBHSA-N 1 0 398.304 4.065 20 0 GIADRO CCSc1cccc(Br)c1NC(=O)NC1CC[NH+](CC)CC1 ZINC000569041465 822872535 /nfs/dbraw/zinc/87/25/35/822872535.db2.gz VGATVZBMXXSJEP-UHFFFAOYSA-N 1 0 386.359 4.167 20 0 GIADRO CC1(C)CC(NC(=O)N2CC(c3cccc(C(F)(F)F)c3)C2)CC(C)(C)[NH2+]1 ZINC000457392407 822872562 /nfs/dbraw/zinc/87/25/62/822872562.db2.gz QQPJVZVJRQBUEU-UHFFFAOYSA-N 1 0 383.458 4.123 20 0 GIADRO CCOC(=O)c1cc2cc(NC(=O)N(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)ccc2s1 ZINC000175046289 822873247 /nfs/dbraw/zinc/87/32/47/822873247.db2.gz UNOOSUFCDDZJKM-CZUORRHYSA-N 1 0 389.521 4.024 20 0 GIADRO COc1cccc(OC)c1OCCCC[N@@H+]1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000569047073 822873321 /nfs/dbraw/zinc/87/33/21/822873321.db2.gz NPDLRGCABHQJDJ-UYAOXDASSA-N 1 0 385.504 4.325 20 0 GIADRO Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000054287644 822873397 /nfs/dbraw/zinc/87/33/97/822873397.db2.gz CUHPLFCHLYILNT-HNNXBMFYSA-N 1 0 388.943 4.074 20 0 GIADRO O=C(Nc1cccc(C[NH2+]C[C@@H](CO)c2ccccc2)c1)c1ccccc1Cl ZINC000175049264 822873551 /nfs/dbraw/zinc/87/35/51/822873551.db2.gz ULGUCVSLDWLNME-IBGZPJMESA-N 1 0 394.902 4.458 20 0 GIADRO COc1cc(C[NH2+]C[C@H](CO)c2ccccc2)ccc1OCc1cccs1 ZINC000175050156 822873840 /nfs/dbraw/zinc/87/38/40/822873840.db2.gz RHYATGRGCNFZHQ-LJQANCHMSA-N 1 0 383.513 4.201 20 0 GIADRO COc1cc(C[NH2+]C[C@@H](CO)c2ccccc2)ccc1OCc1cccs1 ZINC000175050144 822873936 /nfs/dbraw/zinc/87/39/36/822873936.db2.gz RHYATGRGCNFZHQ-IBGZPJMESA-N 1 0 383.513 4.201 20 0 GIADRO Cc1cc(Br)c(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)s1 ZINC000457436571 822875028 /nfs/dbraw/zinc/87/50/28/822875028.db2.gz GWCCUDBMANEEDS-OAHLLOKOSA-N 1 0 393.350 4.213 20 0 GIADRO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)N1C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000457443711 822875391 /nfs/dbraw/zinc/87/53/91/822875391.db2.gz SRZSCUFJWRTMCQ-REWJHTLYSA-N 1 0 377.476 4.112 20 0 GIADRO Cc1ccc(NC(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000175059245 822875411 /nfs/dbraw/zinc/87/54/11/822875411.db2.gz ZYFZQMOAECVBCS-UHFFFAOYSA-N 1 0 381.520 4.188 20 0 GIADRO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@H+](CCCc1cnn(C)c1)CC2 ZINC000054316469 822875785 /nfs/dbraw/zinc/87/57/85/822875785.db2.gz GLWDRNVKOSJOGE-XMMPIXPASA-N 1 0 391.515 4.018 20 0 GIADRO CCOC(=O)[C@]1(C(C)C)CC[N@H+](Cc2csc(-c3ccccc3OC)n2)C1 ZINC000569068190 822876263 /nfs/dbraw/zinc/87/62/63/822876263.db2.gz IGKXFGJOXCZLIB-OAQYLSRUSA-N 1 0 388.533 4.230 20 0 GIADRO CCN(C(=O)c1cnc(-c2ccco2)s1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186324912 822876247 /nfs/dbraw/zinc/87/62/47/822876247.db2.gz HLWMDSPJPZPJMN-QGZVFWFLSA-N 1 0 381.501 4.140 20 0 GIADRO Cc1ccc(OC[C@H](O)C[NH2+]Cc2ccc(OCc3ccccc3)cc2)cc1 ZINC000569069051 822876314 /nfs/dbraw/zinc/87/63/14/822876314.db2.gz JKAKSXGGRFFGSP-JOCHJYFZSA-N 1 0 377.484 4.104 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)Nc2ccc(C)cc2-c2nc(C3CC3)no2)CC1 ZINC000175063956 822876373 /nfs/dbraw/zinc/87/63/73/822876373.db2.gz IREOVWDXDTWSCJ-UHFFFAOYSA-N 1 0 397.523 4.166 20 0 GIADRO CC[C@H](NC(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1)c1nc(C)cs1 ZINC000186330422 822876948 /nfs/dbraw/zinc/87/69/48/822876948.db2.gz JBESQFIMYYGPJT-RBUKOAKNSA-N 1 0 386.565 4.112 20 0 GIADRO CC[N@H+](CC(=O)Nc1ccnn1Cc1cccs1)[C@H](C)c1cccc(OC)c1 ZINC000054339831 822876978 /nfs/dbraw/zinc/87/69/78/822876978.db2.gz RWYPHPPFZYJEGO-MRXNPFEDSA-N 1 0 398.532 4.023 20 0 GIADRO CC[N@H+](CC(=O)Nc1ccnn1Cc1cccs1)[C@@H](C)c1cccc(OC)c1 ZINC000054339829 822876999 /nfs/dbraw/zinc/87/69/99/822876999.db2.gz RWYPHPPFZYJEGO-INIZCTEOSA-N 1 0 398.532 4.023 20 0 GIADRO CC[C@@H](NC(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1)c1nc(C)cs1 ZINC000186330440 822877057 /nfs/dbraw/zinc/87/70/57/822877057.db2.gz JBESQFIMYYGPJT-RTBURBONSA-N 1 0 386.565 4.112 20 0 GIADRO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)N1C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000457459389 822877115 /nfs/dbraw/zinc/87/71/15/822877115.db2.gz NBMKRWUNZBMPBA-ZJIFWQFVSA-N 1 0 387.446 4.177 20 0 GIADRO CN(Cc1c(F)cccc1F)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000457460320 822877252 /nfs/dbraw/zinc/87/72/52/822877252.db2.gz QPKLRQSQNPIRHZ-QGZVFWFLSA-N 1 0 379.476 4.005 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000186334380 822877684 /nfs/dbraw/zinc/87/76/84/822877684.db2.gz DIGPIRQDTSZTSD-DMXYAQSFSA-N 1 0 394.544 4.390 20 0 GIADRO Cc1nc(Cc2ccc(F)cc2)sc1-c1nc(CC23CCC[NH+]2CCC3)no1 ZINC000569087855 822878766 /nfs/dbraw/zinc/87/87/66/822878766.db2.gz VUUQRDGNVFXHLB-UHFFFAOYSA-N 1 0 398.507 4.402 20 0 GIADRO [NH3+]CCOc1ccc(NC(=O)c2cnn(C3CCCC3)c2-c2ccccc2)cc1 ZINC000569095228 822879528 /nfs/dbraw/zinc/87/95/28/822879528.db2.gz NADUPFOUDGEQHQ-UHFFFAOYSA-N 1 0 390.487 4.255 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)c2ccc(Oc3cccc(Cl)c3)cn2)CC1 ZINC000457483244 822879965 /nfs/dbraw/zinc/87/99/65/822879965.db2.gz MBZNJNGMBOCPGN-UHFFFAOYSA-N 1 0 387.911 4.474 20 0 GIADRO Cc1cccc(C)c1NC(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000175090385 822880573 /nfs/dbraw/zinc/88/05/73/822880573.db2.gz ZYGJGNPBHYYEMI-UHFFFAOYSA-N 1 0 395.547 4.496 20 0 GIADRO CCN(C(=O)c1cc(Br)co1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000457492795 822881324 /nfs/dbraw/zinc/88/13/24/822881324.db2.gz PPECIZCRAQGJGI-WMLDXEAASA-N 1 0 391.309 4.340 20 0 GIADRO CC(C)(C)[C@@H]([NH2+]CC(=O)Nc1ccccc1N1CCCC1=O)c1ccccc1 ZINC000054397266 822882148 /nfs/dbraw/zinc/88/21/48/822882148.db2.gz VFHAPGFGJULBFJ-QFIPXVFZSA-N 1 0 379.504 4.129 20 0 GIADRO COc1ccc2[nH]c(C(=O)N(C)C[C@@H]3CC[N@H+](Cc4ccc(C)s4)C3)cc2c1 ZINC000569128376 822882150 /nfs/dbraw/zinc/88/21/50/822882150.db2.gz FGUXHROJKHUDHM-INIZCTEOSA-N 1 0 397.544 4.141 20 0 GIADRO C[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000457499947 822882394 /nfs/dbraw/zinc/88/23/94/822882394.db2.gz BSWBZCNDLZDBSV-MAUKXSAKSA-N 1 0 383.458 4.155 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)c3cc(O)ccc3Cl)C2)s1 ZINC000569130804 822882470 /nfs/dbraw/zinc/88/24/70/822882470.db2.gz RFYUNDMTBHWZKB-AWEZNQCLSA-N 1 0 378.925 4.010 20 0 GIADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)CCCOc1cccc(Cl)c1Cl ZINC000569133454 822882616 /nfs/dbraw/zinc/88/26/16/822882616.db2.gz PQEVAZNIISPTDZ-GJZGRUSLSA-N 1 0 385.335 4.238 20 0 GIADRO CC(C)C[C@H]1OCCC[C@@H]1[NH2+]Cc1csc(CC(=O)Nc2ccccc2)n1 ZINC000186367012 822882857 /nfs/dbraw/zinc/88/28/57/822882857.db2.gz DHIVROXZQAXEEJ-RBUKOAKNSA-N 1 0 387.549 4.008 20 0 GIADRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]Cc1csc(CC(=O)Nc2ccccc2)n1 ZINC000186366991 822882877 /nfs/dbraw/zinc/88/28/77/822882877.db2.gz DHIVROXZQAXEEJ-MOPGFXCFSA-N 1 0 387.549 4.008 20 0 GIADRO Cc1ccc(NC(=O)C(C)C)cc1NC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000054412225 822883415 /nfs/dbraw/zinc/88/34/15/822883415.db2.gz GLVKKMMAXXJHAA-INIZCTEOSA-N 1 0 388.556 4.222 20 0 GIADRO COc1ccccc1C[N@H+](C)CCC(=O)Nc1ccc(Br)cc1F ZINC000054424975 822883838 /nfs/dbraw/zinc/88/38/38/822883838.db2.gz LOGFDWWOURPGQO-UHFFFAOYSA-N 1 0 395.272 4.057 20 0 GIADRO CCCCSc1ccc(Cl)cc1C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000186374031 822883950 /nfs/dbraw/zinc/88/39/50/822883950.db2.gz SOQRPZGBIZRBBC-UHFFFAOYSA-N 1 0 384.973 4.073 20 0 GIADRO C[C@@H](c1nc2ccccc2s1)[N@H+](C)CCC(=O)Nc1ccc2c(c1)OCO2 ZINC000054427489 822884129 /nfs/dbraw/zinc/88/41/29/822884129.db2.gz RFYMTSYYVTZZSL-ZDUSSCGKSA-N 1 0 383.473 4.047 20 0 GIADRO O=C(CC[N@H+](Cc1ccco1)Cc1cccs1)Nc1ccc2c(c1)OCO2 ZINC000054427407 822884263 /nfs/dbraw/zinc/88/42/63/822884263.db2.gz XZFNLEHOZMDGQR-UHFFFAOYSA-N 1 0 384.457 4.101 20 0 GIADRO O=C(CC[N@H+]1CC=C(c2ccc(O)cc2)CC1)N[C@@H]1CCCc2ccccc21 ZINC000054429215 822884486 /nfs/dbraw/zinc/88/44/86/822884486.db2.gz AIAGKEQBZZYSMH-HSZRJFAPSA-N 1 0 376.500 4.065 20 0 GIADRO Cc1ccncc1CCCN1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000569155616 822885291 /nfs/dbraw/zinc/88/52/91/822885291.db2.gz JDHJFFBHMQICGE-LJQANCHMSA-N 1 0 380.410 4.295 20 0 GIADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2cccc(OCc3cccnc3)c2)C1 ZINC000054434885 822885423 /nfs/dbraw/zinc/88/54/23/822885423.db2.gz FXRBOVSCDIYETM-SFHVURJKSA-N 1 0 396.535 4.293 20 0 GIADRO CC1(C)OCc2cc(C[NH2+]C[C@@H](O)c3ccc(Cl)cc3Cl)ccc2O1 ZINC000186385405 822885850 /nfs/dbraw/zinc/88/58/50/822885850.db2.gz AYQQLEOWQHTYNG-QGZVFWFLSA-N 1 0 382.287 4.462 20 0 GIADRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1cnc2ccccc2c1 ZINC000457529543 822886490 /nfs/dbraw/zinc/88/64/90/822886490.db2.gz YWOALAZJHKCSKK-UHFFFAOYSA-N 1 0 377.513 4.344 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)N1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000457534825 822887333 /nfs/dbraw/zinc/88/73/33/822887333.db2.gz UMSJYIUIFXCEHR-LEWJYISDSA-N 1 0 387.955 4.134 20 0 GIADRO O=C([C@H]1C[C@H]1c1cccc2ccccc21)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000175125585 822887603 /nfs/dbraw/zinc/88/76/03/822887603.db2.gz ADTHFIQYPGJWHQ-ZEQRLZLVSA-N 1 0 392.543 4.047 20 0 GIADRO CC1(C)CN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)[C@H]1c1ccncc1 ZINC000457540470 822887825 /nfs/dbraw/zinc/88/78/25/822887825.db2.gz ZWFCUXPLKVYBDG-QFIPXVFZSA-N 1 0 392.547 4.360 20 0 GIADRO C[C@@H](c1ccncc1)N1CCC([NH2+]Cc2ccc3c(c2)COC(C)(C)O3)CC1 ZINC000186400361 822888246 /nfs/dbraw/zinc/88/82/46/822888246.db2.gz SAIHCKDKDLVESZ-KRWDZBQOSA-N 1 0 381.520 4.042 20 0 GIADRO CCC(=O)Nc1ccc(NC(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)cc1 ZINC000175129048 822888501 /nfs/dbraw/zinc/88/85/01/822888501.db2.gz RPYYSZXEWXCEDI-GOSISDBHSA-N 1 0 394.519 4.163 20 0 GIADRO Cc1cccc2c1OC[C@@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)C3CCCC3)cc1)C2 ZINC000569175123 822888758 /nfs/dbraw/zinc/88/87/58/822888758.db2.gz ZSNOYGVRAUEZRG-XLIONFOSSA-N 1 0 399.556 4.366 20 0 GIADRO CC[NH+]1CCC(n2nccc2NC(=O)c2ccc(OC(C)C)cc2Cl)CC1 ZINC000457548621 822889256 /nfs/dbraw/zinc/88/92/56/822889256.db2.gz ZQKBYSNQQVPTFW-UHFFFAOYSA-N 1 0 390.915 4.233 20 0 GIADRO Cc1cccc(C)c1C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000175135461 822889602 /nfs/dbraw/zinc/88/96/02/822889602.db2.gz DCGTYHPLLMGTNF-UHFFFAOYSA-N 1 0 379.504 4.370 20 0 GIADRO CC1(C)OCc2cc(C[NH2+]CCc3nc(-c4ccccn4)cs3)ccc2O1 ZINC000186407665 822889626 /nfs/dbraw/zinc/88/96/26/822889626.db2.gz PYWNVLKCFZPIGG-UHFFFAOYSA-N 1 0 381.501 4.183 20 0 GIADRO C[C@@H](CC(F)(F)F)C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000457552275 822889697 /nfs/dbraw/zinc/88/96/97/822889697.db2.gz LJZDIALQQAGFMK-KRWDZBQOSA-N 1 0 384.486 4.426 20 0 GIADRO C[C@H]([NH2+]CCc1cn(C)c2cc(F)ccc12)c1ncc(Br)s1 ZINC000186408953 822889880 /nfs/dbraw/zinc/88/98/80/822889880.db2.gz WJAXXLQMAWSFEX-JTQLQIEISA-N 1 0 382.302 4.430 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc(-c2cncnc2)cc1F ZINC000186408857 822889940 /nfs/dbraw/zinc/88/99/40/822889940.db2.gz JIXKTYOEVUWDMT-UHFFFAOYSA-N 1 0 392.478 4.055 20 0 GIADRO Cc1cc(-c2nc(C3CC3)no2)ccc1NC(=O)NCC1([NH3+])CCCCCC1 ZINC000569200678 822892215 /nfs/dbraw/zinc/89/22/15/822892215.db2.gz PFBMYOSWQVHXFP-UHFFFAOYSA-N 1 0 383.496 4.096 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)NCCc2ccc(Cl)s2)[C@@H]1c1cccs1 ZINC000175151175 822892829 /nfs/dbraw/zinc/89/28/29/822892829.db2.gz RXJONTBSDMUWDP-CXAGYDPISA-N 1 0 397.997 4.388 20 0 GIADRO O=C(Nc1ccc2c(c1F)CC[NH2+]C2)N[C@H](CC(F)(F)F)c1ccccc1 ZINC000569212368 822893448 /nfs/dbraw/zinc/89/34/48/822893448.db2.gz SOJDIPRDUASBHY-MRXNPFEDSA-N 1 0 381.373 4.287 20 0 GIADRO O=C(c1ccc(Oc2cccc(F)c2)cn1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000457575450 822893524 /nfs/dbraw/zinc/89/35/24/822893524.db2.gz LJROPHICDANFME-SFHVURJKSA-N 1 0 383.467 4.104 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(Oc3cccc(Cl)c3)cn2)[C@@H](C)C1 ZINC000457583434 822894446 /nfs/dbraw/zinc/89/44/46/822894446.db2.gz AECNJQZXIJJJAJ-MGPUTAFESA-N 1 0 387.911 4.330 20 0 GIADRO C[C@H](C(=O)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F)C1CCC1 ZINC000457591480 822895531 /nfs/dbraw/zinc/89/55/31/822895531.db2.gz BUDPJWCGAKTMES-WMZOPIPTSA-N 1 0 382.470 4.336 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC1(c2ccc(F)cc2)CC1 ZINC000175163317 822895606 /nfs/dbraw/zinc/89/56/06/822895606.db2.gz MOJAMUSOKHHYFC-FQEVSTJZSA-N 1 0 395.522 4.021 20 0 GIADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 ZINC000569242826 822895696 /nfs/dbraw/zinc/89/56/96/822895696.db2.gz AVGJVRCXLWJYEB-MNOVXSKESA-N 1 0 386.443 4.000 20 0 GIADRO Cc1cccc(Oc2ccc(C(=O)N3CC[C@H](C[NH+]4CCCCC4)C3)nc2)c1 ZINC000457595652 822895990 /nfs/dbraw/zinc/89/59/90/822895990.db2.gz JNYFZJLVHYYAFK-LJQANCHMSA-N 1 0 379.504 4.130 20 0 GIADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)Nc1ccc2oc(C(=O)OC)cc2c1)c1ccco1 ZINC000569249405 822896220 /nfs/dbraw/zinc/89/62/20/822896220.db2.gz IGQHUAIZNBXUCD-BBRMVZONSA-N 1 0 399.447 4.063 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(Br)co1 ZINC000457604080 822896562 /nfs/dbraw/zinc/89/65/62/822896562.db2.gz GSTZRGRHRLTEJW-MRXNPFEDSA-N 1 0 391.309 4.026 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)[C@@]2(C)CCCCO2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000457609183 822897012 /nfs/dbraw/zinc/89/70/12/822897012.db2.gz XUGLLLXHHQKWMW-YVWKXTFCSA-N 1 0 398.469 4.164 20 0 GIADRO CC(C)c1nc([C@H](C)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)cs1 ZINC000186454058 822898121 /nfs/dbraw/zinc/89/81/21/822898121.db2.gz OWRONQGLJPBKSC-HNNXBMFYSA-N 1 0 386.565 4.137 20 0 GIADRO Cc1oc2ccc(NC(=O)N3CCC(C[NH+]4C[C@H](C)O[C@@H](C)C4)CC3)cc2c1C ZINC000186454963 822898327 /nfs/dbraw/zinc/89/83/27/822898327.db2.gz GSHFGNXDRZWYDX-HOTGVXAUSA-N 1 0 399.535 4.403 20 0 GIADRO CCO[C@H]1C[C@H]([NH2+]C2(c3cccc(Br)c3)CC2)C12CCOCC2 ZINC000186461663 822899312 /nfs/dbraw/zinc/89/93/12/822899312.db2.gz LEMODWFZPPBJRG-IRXDYDNUSA-N 1 0 380.326 4.002 20 0 GIADRO CCCC[C@@H](COC)[NH2+]C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000186464002 822899564 /nfs/dbraw/zinc/89/95/64/822899564.db2.gz UOQPIXPXZFYQPP-INIZCTEOSA-N 1 0 386.458 4.105 20 0 GIADRO CCC(=O)Nc1ccc(Cl)c(NC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)c1 ZINC000175182626 822899590 /nfs/dbraw/zinc/89/95/90/822899590.db2.gz XQVPKYYROQIIDB-MRXNPFEDSA-N 1 0 392.931 4.075 20 0 GIADRO Cn1c(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)nnc1-c1ccc(Cl)cc1 ZINC000186465155 822899706 /nfs/dbraw/zinc/89/97/06/822899706.db2.gz QWGPDQGUQNTERR-UZLBHIALSA-N 1 0 396.922 4.393 20 0 GIADRO C[C@@H]1OCC[C@@]1(O)C[N@H+](Cc1ccc(C(F)(F)F)s1)Cc1ccccc1 ZINC000569276018 822899850 /nfs/dbraw/zinc/89/98/50/822899850.db2.gz JOIYIPRUFRSUBG-KBXCAEBGSA-N 1 0 385.451 4.309 20 0 GIADRO CC1(C)C[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)C(C)(C)O1 ZINC000186467376 822900029 /nfs/dbraw/zinc/90/00/29/822900029.db2.gz FFOXNSBLXQBRDI-QGZVFWFLSA-N 1 0 398.469 4.246 20 0 GIADRO Cc1oc2ccc(NC(=O)N3CCN(CC[NH+]4[C@H](C)CC[C@H]4C)CC3)cc2c1C ZINC000186473758 822900988 /nfs/dbraw/zinc/90/09/88/822900988.db2.gz CTJGHFRXKXGFJK-IAGOWNOFSA-N 1 0 398.551 4.072 20 0 GIADRO COc1ccc(F)cc1[C@@H](C)NC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000175190738 822901127 /nfs/dbraw/zinc/90/11/27/822901127.db2.gz TUGCVRWZGLHXGG-MJGOQNOKSA-N 1 0 399.510 4.059 20 0 GIADRO C[C@@H](Cc1cccc(F)c1)N(C)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000457654083 822901997 /nfs/dbraw/zinc/90/19/97/822901997.db2.gz BOPSFMQNRGWRKR-SFHVURJKSA-N 1 0 383.511 4.194 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CCc1nn(C)c2ccccc12 ZINC000186482694 822902413 /nfs/dbraw/zinc/90/24/13/822902413.db2.gz AHFPASBUYLLNEW-CQSZACIVSA-N 1 0 377.517 4.294 20 0 GIADRO Cc1cccc(CN(C)C(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)n1 ZINC000457663918 822903084 /nfs/dbraw/zinc/90/30/84/822903084.db2.gz ICYFIZZAJWHDCZ-RTBURBONSA-N 1 0 394.563 4.210 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NS(=O)(=O)c1ccc(C(F)(F)F)c(C)c1 ZINC000569297279 822903431 /nfs/dbraw/zinc/90/34/31/822903431.db2.gz GTJHPZNKOOPWSI-UHFFFAOYSA-N 1 0 386.439 4.185 20 0 GIADRO FC(F)(F)c1ccn(-c2ccc(C[N@@H+]3CC[C@H](n4cc(Cl)cn4)C3)cc2)n1 ZINC000569296626 822903446 /nfs/dbraw/zinc/90/34/46/822903446.db2.gz CXSMAANBUIKTHS-INIZCTEOSA-N 1 0 395.816 4.188 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1c[nH]cc1-c1ccc(Cl)s1)c1ccsc1 ZINC000054675921 822904801 /nfs/dbraw/zinc/90/48/01/822904801.db2.gz PEIWMRPATGISGZ-AWEZNQCLSA-N 1 0 379.938 4.491 20 0 GIADRO C[C@H]1CC[C@H](CCC(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)O1 ZINC000175211608 822905410 /nfs/dbraw/zinc/90/54/10/822905410.db2.gz ZZOJTJZDRBPRPS-PGRDOPGGSA-N 1 0 380.532 4.379 20 0 GIADRO C[C@@H]1CC[C@H](CCC(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)O1 ZINC000175211587 822905430 /nfs/dbraw/zinc/90/54/30/822905430.db2.gz ZZOJTJZDRBPRPS-XMSQKQJNSA-N 1 0 380.532 4.379 20 0 GIADRO C[C@H](Sc1ccccc1)c1ccc(NC(=O)N2CCN(CCO)C[C@@H]2C)cc1 ZINC000569311240 822905636 /nfs/dbraw/zinc/90/56/36/822905636.db2.gz SOLKHXRIMHVZST-ROUUACIJSA-N 1 0 399.560 4.070 20 0 GIADRO Cc1ccccc1Oc1ccc(C(=O)N2CCC(CCC[NH+](C)C)CC2)nc1 ZINC000457683178 822906114 /nfs/dbraw/zinc/90/61/14/822906114.db2.gz HICPRNOHGIGORH-UHFFFAOYSA-N 1 0 381.520 4.376 20 0 GIADRO CC(C)Oc1ccc(C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)c(Cl)c1 ZINC000457687680 822906808 /nfs/dbraw/zinc/90/68/08/822906808.db2.gz KDKUMSLPDDSJFH-UHFFFAOYSA-N 1 0 378.875 4.258 20 0 GIADRO O=C(Nc1ccc2c(c1F)CC[NH2+]C2)N[C@@H]1CCCOc2c(Cl)cccc21 ZINC000569320932 822907139 /nfs/dbraw/zinc/90/71/39/822907139.db2.gz NXVQAGMRQANPNP-MRXNPFEDSA-N 1 0 389.858 4.160 20 0 GIADRO Cc1cc(NC(=O)/C=C/c2ccc(Cl)s2)ccc1N1CC[NH+](C)CC1 ZINC000054710066 822907336 /nfs/dbraw/zinc/90/73/36/822907336.db2.gz CSTLKXPAYNTSRL-VMPITWQZSA-N 1 0 375.925 4.114 20 0 GIADRO O=C(c1ccc(-c2cncnc2)cc1F)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000186516913 822907384 /nfs/dbraw/zinc/90/73/84/822907384.db2.gz YWDWGVNJEKLGGK-UHFFFAOYSA-N 1 0 396.510 4.011 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Nc1cc(F)c(OC)cc1F)c1ccccc1 ZINC000569324633 822907457 /nfs/dbraw/zinc/90/74/57/822907457.db2.gz SQIYZAOFVPEUDK-GOSISDBHSA-N 1 0 377.435 4.178 20 0 GIADRO C[C@H](NC(=O)Cc1ccccc1OC1CCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000457694759 822907822 /nfs/dbraw/zinc/90/78/22/822907822.db2.gz JERGSKPIUANWSH-ICSRJNTNSA-N 1 0 384.564 4.320 20 0 GIADRO Cc1cc(OCc2ccccc2)c(C(=O)N2CCC3(CCC[N@H+]3C)CC2)s1 ZINC000457699716 822908265 /nfs/dbraw/zinc/90/82/65/822908265.db2.gz SSBFOCXGRDCCJL-UHFFFAOYSA-N 1 0 384.545 4.336 20 0 GIADRO O=C(CCCc1ccc(Br)s1)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000569331673 822908662 /nfs/dbraw/zinc/90/86/62/822908662.db2.gz HQYJXDCXMFSYKL-UHFFFAOYSA-N 1 0 397.313 4.257 20 0 GIADRO COc1ccc([C@H](CNC(=O)N[C@@H](C)c2ccc(C)s2)[NH+]2CCCC2)cc1 ZINC000054733064 822908789 /nfs/dbraw/zinc/90/87/89/822908789.db2.gz QVSYBFCFNWSSKU-LPHOPBHVSA-N 1 0 387.549 4.262 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)c1cccc(C[NH+]2CCCC2)c1)OC(C)C ZINC000186529308 822909126 /nfs/dbraw/zinc/90/91/26/822909126.db2.gz LMTVVFPKBKLSIM-QHCPKHFHSA-N 1 0 396.531 4.187 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCC1)N1CCC(c2ccsc2)CC1 ZINC000186530489 822909348 /nfs/dbraw/zinc/90/93/48/822909348.db2.gz UASYYMLUZGCAIV-UHFFFAOYSA-N 1 0 383.561 4.433 20 0 GIADRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccsc1)c1cccc(OC(F)F)c1 ZINC000457710490 822909633 /nfs/dbraw/zinc/90/96/33/822909633.db2.gz FRVRNBTZSUNESB-CQSZACIVSA-N 1 0 397.491 4.184 20 0 GIADRO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000569342256 822909692 /nfs/dbraw/zinc/90/96/92/822909692.db2.gz DGYZHYCJJAYABB-NNWRFLSQSA-N 1 0 398.497 4.454 20 0 GIADRO O=C(c1ccc(Cl)cc1)C1CC[NH+](C[C@H]2CN(c3ccccc3)CCO2)CC1 ZINC000569351391 822910493 /nfs/dbraw/zinc/91/04/93/822910493.db2.gz BSFDIWCDHMMHHL-QFIPXVFZSA-N 1 0 398.934 4.140 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)c2cc(OC)ccc2Br)CC1 ZINC000054758922 822910608 /nfs/dbraw/zinc/91/06/08/822910608.db2.gz SQQUKDYXOXRXLU-UHFFFAOYSA-N 1 0 397.357 4.042 20 0 GIADRO O=C(c1cc(Br)ccc1Cl)N1CCC([NH+]2CCCCC2)CC1 ZINC000054758926 822910663 /nfs/dbraw/zinc/91/06/63/822910663.db2.gz WIRABYLAZFMZQA-UHFFFAOYSA-N 1 0 385.733 4.193 20 0 GIADRO CC[C@H](C(=O)N1CCC([NH2+][C@@H](C)c2cn3ccccc3n2)CC1)c1ccccc1 ZINC000569355227 822910792 /nfs/dbraw/zinc/91/07/92/822910792.db2.gz CLUYNPIEERLKNL-RXVVDRJESA-N 1 0 390.531 4.170 20 0 GIADRO CC(C)c1cccc(CC(=O)N2CCC[C@@H]([N@H+](C)Cc3ccccn3)CC2)c1 ZINC000457728110 822911514 /nfs/dbraw/zinc/91/15/14/822911514.db2.gz JJPPUDMXDHABFL-HSZRJFAPSA-N 1 0 379.548 4.261 20 0 GIADRO COCCC[C@@H]([NH2+][C@@H](CCO)c1ccco1)c1ccc(Br)cc1 ZINC000186551936 822911718 /nfs/dbraw/zinc/91/17/18/822911718.db2.gz OAPKXEDGFQUXJA-SJORKVTESA-N 1 0 382.298 4.223 20 0 GIADRO C[NH+](C)C[C@@H](NC(=O)CSc1nccc2ccccc21)c1ccc(Cl)cc1 ZINC000569373547 822912735 /nfs/dbraw/zinc/91/27/35/822912735.db2.gz JEPZXHCDWUMTSG-LJQANCHMSA-N 1 0 399.947 4.399 20 0 GIADRO COc1ccc(C2(C[NH2+][C@@H]3CCN(C)[C@H](c4ccccc4)C3)CCOCC2)cc1 ZINC000569386528 822914389 /nfs/dbraw/zinc/91/43/89/822914389.db2.gz HXFXBISIUCEGGO-VWNXMTODSA-N 1 0 394.559 4.169 20 0 GIADRO Cc1cc(Br)c(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000457754357 822914980 /nfs/dbraw/zinc/91/49/80/822914980.db2.gz PHWCEVAEWVEOJX-WBMJQRKESA-N 1 0 393.350 4.069 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CCNc2ncc(C(F)(F)F)cc2Cl)cc1O ZINC000569396743 822916559 /nfs/dbraw/zinc/91/65/59/822916559.db2.gz LBSXJIHLYNHDJK-SNVBAGLBSA-N 1 0 389.805 4.231 20 0 GIADRO CCCCn1c(=S)n(CN2CCSC(C)(C)C2)nc1[C@@H](CC)[NH+](C)C ZINC000175259951 822917476 /nfs/dbraw/zinc/91/74/76/822917476.db2.gz JPXDVJXICIBHLG-OAHLLOKOSA-N 1 0 385.647 4.012 20 0 GIADRO Cc1nc(-c2ccc([C@H](C)NC(=O)N(C)[C@@H]3CC[N@@H+](C(C)C)C3)cc2)cs1 ZINC000457772166 822917541 /nfs/dbraw/zinc/91/75/41/822917541.db2.gz JLSCPZCUHFNQTK-HNAYVOBHSA-N 1 0 386.565 4.304 20 0 GIADRO Cc1c(C(=O)Nc2cccc3c2OCC[C@@H]3[NH+](C)C)cnn1-c1ccccc1C ZINC000569405923 822917881 /nfs/dbraw/zinc/91/78/81/822917881.db2.gz LJULAOJSKIUBJK-NRFANRHFSA-N 1 0 390.487 4.127 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)N[C@H]1CCSc2c(F)cccc21 ZINC000457775653 822917954 /nfs/dbraw/zinc/91/79/54/822917954.db2.gz NYNMINLXECUNCT-KRWDZBQOSA-N 1 0 393.553 4.198 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)N[C@@H]1CCSc2c(F)cccc21 ZINC000457775654 822918034 /nfs/dbraw/zinc/91/80/34/822918034.db2.gz NYNMINLXECUNCT-QGZVFWFLSA-N 1 0 393.553 4.198 20 0 GIADRO COC(=O)c1c(C[NH2+][C@@H](CO)C(C)(C)C)nc2ccccc2c1-c1ccccc1 ZINC000569407469 822918114 /nfs/dbraw/zinc/91/81/14/822918114.db2.gz BHNWKCJVQIEWKX-FQEVSTJZSA-N 1 0 392.499 4.185 20 0 GIADRO OC1(Cc2cccc(F)c2)CC[NH+](Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC000186587991 822918332 /nfs/dbraw/zinc/91/83/32/822918332.db2.gz FDWAYQJSEQUDOU-UHFFFAOYSA-N 1 0 383.385 4.136 20 0 GIADRO O[C@@H](C[NH2+]CC1(c2ccc(F)cc2)CCOCC1)Cc1ccc2ccccc2c1 ZINC000569410508 822918598 /nfs/dbraw/zinc/91/85/98/822918598.db2.gz KYBKJAOXHVHGDX-XMMPIXPASA-N 1 0 393.502 4.220 20 0 GIADRO O=C(Cc1ccc(Cl)c(Cl)c1)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000186591132 822919143 /nfs/dbraw/zinc/91/91/43/822919143.db2.gz UJYJZKRKOHVZRK-KRWDZBQOSA-N 1 0 392.330 4.102 20 0 GIADRO O=C(c1cc(Cl)cc(Cl)c1)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000186591087 822919173 /nfs/dbraw/zinc/91/91/73/822919173.db2.gz HHFLPVNWYJTZSZ-SFHVURJKSA-N 1 0 378.303 4.173 20 0 GIADRO O=C(c1cc(Cl)sc1Cl)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000186593075 822919788 /nfs/dbraw/zinc/91/97/88/822919788.db2.gz RWLPASMLLMELHG-ZDUSSCGKSA-N 1 0 384.332 4.234 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1C[C@@H]1c1cccc(OC)c1 ZINC000175272065 822921131 /nfs/dbraw/zinc/92/11/31/822921131.db2.gz VZCCNFBTEHFFNI-AGILITTLSA-N 1 0 392.543 4.169 20 0 GIADRO Cc1cccc(-c2nnc(N3CCC[C@@H](C[N@@H+]4CCCC[C@@H]4C)C3)n2C(C)C)n1 ZINC000569428065 822921635 /nfs/dbraw/zinc/92/16/35/822921635.db2.gz BWSSRBYYPBEJDA-PMACEKPBSA-N 1 0 396.583 4.320 20 0 GIADRO CC1(C)OCc2cc(C[N@@H+]3CCC[C@H](C(=O)Nc4ccccc4)C3)ccc2O1 ZINC000186603159 822922098 /nfs/dbraw/zinc/92/20/98/822922098.db2.gz ZWWLSYNAAKGAPN-SFHVURJKSA-N 1 0 380.488 4.182 20 0 GIADRO COc1cccc([C@H](CNC(=O)N(C)[C@@H](C)c2ccccc2)[NH+]2CCCC2)c1 ZINC000054921188 822922381 /nfs/dbraw/zinc/92/23/81/822922381.db2.gz NEALRWSZPOQGDG-AVRDEDQJSA-N 1 0 381.520 4.235 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cc1csc(C(C)(C)C)n1 ZINC000175280907 822923377 /nfs/dbraw/zinc/92/33/77/822923377.db2.gz HFEFUSKRLJKLFF-LJQANCHMSA-N 1 0 399.604 4.354 20 0 GIADRO Cc1cccc(Oc2ccc(C(=O)N3CC[N@@H+](C4CCC4)C[C@@H](C)C3)nc2)c1 ZINC000457826704 822923313 /nfs/dbraw/zinc/92/33/13/822923313.db2.gz ZMSSLHVNINLVRO-GOSISDBHSA-N 1 0 379.504 4.129 20 0 GIADRO S=C(Nc1ccc(Cl)cc1Cl)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000054941392 822923374 /nfs/dbraw/zinc/92/33/74/822923374.db2.gz ULSTVVDODPPRAZ-UHFFFAOYSA-N 1 0 395.359 4.339 20 0 GIADRO S=C(Nc1ccc(Cl)c(Cl)c1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000054941400 822923422 /nfs/dbraw/zinc/92/34/22/822923422.db2.gz CNNMDMMQYONDRQ-UHFFFAOYSA-N 1 0 395.359 4.339 20 0 GIADRO COc1ccc([C@H](C)[NH2+]Cc2ccc(C(C)(C)O)cc2)cc1Cn1cccn1 ZINC000186616621 822924132 /nfs/dbraw/zinc/92/41/32/822924132.db2.gz IQMZTVMWGBFYNT-KRWDZBQOSA-N 1 0 379.504 4.018 20 0 GIADRO CC(C)(NC(=O)NC1CC[NH+](C2CCC2)CC1)c1ccc(Br)cc1 ZINC000457839599 822924258 /nfs/dbraw/zinc/92/42/58/822924258.db2.gz GFWPYNXOJIDUSY-UHFFFAOYSA-N 1 0 394.357 4.000 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cc1c[nH]c2cccc(C)c12 ZINC000175285035 822924388 /nfs/dbraw/zinc/92/43/88/822924388.db2.gz BCAZXZPTYSXVDL-OAQYLSRUSA-N 1 0 389.543 4.389 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(-c2cccs2)on1 ZINC000175285741 822924626 /nfs/dbraw/zinc/92/46/26/822924626.db2.gz FXIZNEQAYWLLGC-GOSISDBHSA-N 1 0 395.528 4.387 20 0 GIADRO C[C@@]1(NC(=O)Nc2nc(CC(F)(F)F)cs2)CC[N@H+](Cc2ccccc2)C1 ZINC000569460838 822925784 /nfs/dbraw/zinc/92/57/84/822925784.db2.gz KBPLUFLLPYUCGX-QGZVFWFLSA-N 1 0 398.454 4.034 20 0 GIADRO CCOc1cc(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)cc(Cl)c1O ZINC000186631816 822926416 /nfs/dbraw/zinc/92/64/16/822926416.db2.gz GARWBQNGJTUDAM-UHFFFAOYSA-N 1 0 390.911 4.215 20 0 GIADRO CCCCOc1ccc([C@H](C)NC(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)cc1OC ZINC000457864729 822926621 /nfs/dbraw/zinc/92/66/21/822926621.db2.gz KBBVERBWEBSPIX-HKUYNNGSSA-N 1 0 391.556 4.059 20 0 GIADRO COc1ccc(C[C@H]2CCC[N@@H+]([C@H](C)c3nc(-c4cccnc4)no3)C2)cc1 ZINC000569467222 822926776 /nfs/dbraw/zinc/92/67/76/822926776.db2.gz ZHGSOTYDKOZRCO-SJLPKXTDSA-N 1 0 378.476 4.156 20 0 GIADRO O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000569471241 822927033 /nfs/dbraw/zinc/92/70/33/822927033.db2.gz FHVKCSPMBPMJQZ-PKOBYXMFSA-N 1 0 394.412 4.458 20 0 GIADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(C)(C)c1ccc(C)cc1 ZINC000175295609 822927291 /nfs/dbraw/zinc/92/72/91/822927291.db2.gz KLSPIWNMLXYPPP-UHFFFAOYSA-N 1 0 395.547 4.062 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=S)Nc2cccc(Br)c2)CC1 ZINC000054975273 822927299 /nfs/dbraw/zinc/92/72/99/822927299.db2.gz VOHHFSFDENRKFC-UHFFFAOYSA-N 1 0 384.387 4.198 20 0 GIADRO CC(C)Oc1ccccc1CNC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000175295488 822927385 /nfs/dbraw/zinc/92/73/85/822927385.db2.gz NXWNLTQSVGIUNV-OAQYLSRUSA-N 1 0 395.547 4.137 20 0 GIADRO CC(C)C[C@@H]([NH3+])c1noc(-c2cc(I)ccc2Cl)n1 ZINC000569483858 822928237 /nfs/dbraw/zinc/92/82/37/822928237.db2.gz XTHGJCBEVYRRDH-LLVKDONJSA-N 1 0 391.640 4.041 20 0 GIADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cccc2ccccc21 ZINC000175300240 822928808 /nfs/dbraw/zinc/92/88/08/822928808.db2.gz UERYGFPIJISWAN-UHFFFAOYSA-N 1 0 389.499 4.243 20 0 GIADRO COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[N@@H+]2CCC[C@@H]2c2ccccc2)c1 ZINC000054993379 822929293 /nfs/dbraw/zinc/92/92/93/822929293.db2.gz RSIYMRNKCHQGKV-YADHBBJMSA-N 1 0 394.515 4.204 20 0 GIADRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000569506590 822931157 /nfs/dbraw/zinc/93/11/57/822931157.db2.gz BZVNGZASFGDGPC-XWIAVFTESA-N 1 0 391.968 4.286 20 0 GIADRO Cc1cc(NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)ccc1N(C)C ZINC000175329185 822936653 /nfs/dbraw/zinc/93/66/53/822936653.db2.gz MPXROIQQDDRWND-UHFFFAOYSA-N 1 0 380.536 4.189 20 0 GIADRO Cc1ccccc1[C@H](CO)[NH2+]CC(=O)N1c2ccccc2CCc2ccccc21 ZINC000569541238 822937202 /nfs/dbraw/zinc/93/72/02/822937202.db2.gz VJWYLYSAVDFZQX-QFIPXVFZSA-N 1 0 386.495 4.082 20 0 GIADRO CCC[NH+](CCC)CCCC(=O)N1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000457930377 822938761 /nfs/dbraw/zinc/93/87/61/822938761.db2.gz NNBSQAKFFGVNFY-KRWDZBQOSA-N 1 0 392.506 4.096 20 0 GIADRO CC(C)Oc1ccccc1[C@H](C)[NH2+][C@@H](C)C(=O)NC(=O)Nc1ccccc1F ZINC000055151740 822941025 /nfs/dbraw/zinc/94/10/25/822941025.db2.gz WMTZTBUJLQJRIY-GJZGRUSLSA-N 1 0 387.455 4.000 20 0 GIADRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccccc2OC(C)C)cc1OC ZINC000055151965 822941273 /nfs/dbraw/zinc/94/12/73/822941273.db2.gz RZDNQTAKXLSSKG-JKSUJKDBSA-N 1 0 386.492 4.169 20 0 GIADRO CN(CCC[NH+]1CCCC1)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 ZINC000569574225 822941604 /nfs/dbraw/zinc/94/16/04/822941604.db2.gz VCUBMLWLRBJXOW-UHFFFAOYSA-N 1 0 378.929 4.413 20 0 GIADRO COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2C(=O)N[C@H]2CC[NH2+][C@H](C)C2)c1 ZINC000569577980 822941841 /nfs/dbraw/zinc/94/18/41/822941841.db2.gz DCBDFKFOYKRNLV-XEDHWARRSA-N 1 0 393.531 4.076 20 0 GIADRO COC(=O)c1ccc(C[NH2+][C@H]2CCc3sc(Br)cc32)cc1OC ZINC000569586558 822942518 /nfs/dbraw/zinc/94/25/18/822942518.db2.gz VBBGYFCSQQQTNF-ZDUSSCGKSA-N 1 0 396.306 4.083 20 0 GIADRO C[C@H]([NH3+])[C@@H]1CCN(CC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)C1 ZINC000569604912 822943734 /nfs/dbraw/zinc/94/37/34/822943734.db2.gz FCFQPRIMHBOZEQ-LSDHHAIUSA-N 1 0 389.952 4.099 20 0 GIADRO COc1cc(C)c(NC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1F ZINC000186719769 822944157 /nfs/dbraw/zinc/94/41/57/822944157.db2.gz JGFQFVWXQIOEJM-KRWDZBQOSA-N 1 0 377.504 4.119 20 0 GIADRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000569616070 822945243 /nfs/dbraw/zinc/94/52/43/822945243.db2.gz JIWCTWZFNQUHGI-VZGVRVRRSA-N 1 0 376.504 4.269 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)Nc2ccc(Oc3cccnc3)cc2)c1 ZINC000569618200 822945436 /nfs/dbraw/zinc/94/54/36/822945436.db2.gz ATVZFLSBSIGCDK-UHFFFAOYSA-N 1 0 376.460 4.257 20 0 GIADRO COc1ccc(C[N@@H+]2CCCN(C(=O)CCc3ccc([C@@H]4C[C@@H]4C)o3)CC2)cc1 ZINC000055209914 822946096 /nfs/dbraw/zinc/94/60/96/822946096.db2.gz NINMCTBGDLQVRC-PGRDOPGGSA-N 1 0 396.531 4.079 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)NC[C@@H](c2cccnc2)C(C)C)CC1 ZINC000175365246 822947455 /nfs/dbraw/zinc/94/74/55/822947455.db2.gz ZUTZRUXVKXWKNJ-HSZRJFAPSA-N 1 0 394.563 4.093 20 0 GIADRO CCOCc1ccccc1CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000175370188 822949200 /nfs/dbraw/zinc/94/92/00/822949200.db2.gz RBRXUMSZNGJYSS-XXBNENTESA-N 1 0 395.547 4.075 20 0 GIADRO CCc1nc(CC(=O)NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)cs1 ZINC000055281932 822949376 /nfs/dbraw/zinc/94/93/76/822949376.db2.gz NLSLMGXYJUTYBQ-CALCHBBNSA-N 1 0 385.577 4.042 20 0 GIADRO CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000175376184 822951096 /nfs/dbraw/zinc/95/10/96/822951096.db2.gz BMNNARVBGQYECC-NRFANRHFSA-N 1 0 399.510 4.152 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+][C@H](C)C2CCN(C(=O)OC)CC2)cc1OCC ZINC000186763213 822951502 /nfs/dbraw/zinc/95/15/02/822951502.db2.gz BQTLSKCKJYTEQB-CVEARBPZSA-N 1 0 378.513 4.002 20 0 GIADRO Cc1nc(-c2ncccn2)sc1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000055324410 822952267 /nfs/dbraw/zinc/95/22/67/822952267.db2.gz XHQODRBQNPVZHV-UHFFFAOYSA-N 1 0 393.516 4.147 20 0 GIADRO Cc1cnc([C@@H](C)C[NH2+][C@@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)s1 ZINC000186771624 822952807 /nfs/dbraw/zinc/95/28/07/822952807.db2.gz AYDCHUXMSPGNLF-KBPBESRZSA-N 1 0 379.957 4.235 20 0 GIADRO COc1cc(C[N@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)ccc1OC(F)F ZINC000175388381 822955258 /nfs/dbraw/zinc/95/52/58/822955258.db2.gz WXTBALIYOSCEQX-NRRJATNASA-N 1 0 383.460 4.227 20 0 GIADRO Cc1ccccc1[C@H](OC[C@H](O)C[NH2+]C[C@@H](C)C(F)(F)F)c1ccccc1 ZINC000569686795 822955442 /nfs/dbraw/zinc/95/54/42/822955442.db2.gz GRDLWLOUTRSWDH-YVWKXTFCSA-N 1 0 381.438 4.250 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(Cl)c2ccccc2n1 ZINC000569691880 822955670 /nfs/dbraw/zinc/95/56/70/822955670.db2.gz IZTLAGOYHWTLCW-SFHVURJKSA-N 1 0 393.918 4.482 20 0 GIADRO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000055375674 822956080 /nfs/dbraw/zinc/95/60/80/822956080.db2.gz YMFKXELKCGVJET-QWHCGFSZSA-N 1 0 390.867 4.064 20 0 GIADRO C[C@H](C(=O)N(Cc1csc(Br)c1)C1CC1)[C@H]([NH3+])c1ccccc1 ZINC000569697507 822956249 /nfs/dbraw/zinc/95/62/49/822956249.db2.gz QFZZUWDVARLCDN-SJCJKPOMSA-N 1 0 393.350 4.338 20 0 GIADRO COc1cc(C)c(NC(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)cc1F ZINC000186794507 822956690 /nfs/dbraw/zinc/95/66/90/822956690.db2.gz CKZBVQGJYCMBNY-KRWDZBQOSA-N 1 0 375.444 4.003 20 0 GIADRO Cc1ccc([C@H](CNC(=O)N2CC(C)(CC(F)(F)F)C2)[NH+]2CCCC2)cc1 ZINC000458092500 822957588 /nfs/dbraw/zinc/95/75/88/822957588.db2.gz ALKAVODKRIJOEI-KRWDZBQOSA-N 1 0 383.458 4.116 20 0 GIADRO Cc1cc2oc(=O)cc(C[N@@H+]3CCSC4(CCOCC4)C3)c2cc1C(C)C ZINC000186804251 822958195 /nfs/dbraw/zinc/95/81/95/822958195.db2.gz PCCFUEZZWCHFNF-UHFFFAOYSA-N 1 0 387.545 4.323 20 0 GIADRO C[C@H](CC(=O)N[C@H](c1ccccc1OC(F)F)C(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000569720183 822958785 /nfs/dbraw/zinc/95/87/85/822958785.db2.gz BGAKFQJSKNJHTN-BFQNTYOBSA-N 1 0 394.384 4.033 20 0 GIADRO COC(=O)c1cc2cc(C[N@H+](C)[C@H](C)c3ccc([S@](C)=O)cc3)ccc2o1 ZINC000175398575 822958938 /nfs/dbraw/zinc/95/89/38/822958938.db2.gz LROKOOCNVWDXIQ-ASHKIFAZSA-N 1 0 385.485 4.150 20 0 GIADRO C[C@@H]1CN(C(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)CC[N@@H+](C2CCC2)C1 ZINC000569721804 822959164 /nfs/dbraw/zinc/95/91/64/822959164.db2.gz JJFRPYKOKWXSTA-HNNXBMFYSA-N 1 0 380.454 4.070 20 0 GIADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)[C@H]2CCCc3ccccc32)c1 ZINC000569730248 822959787 /nfs/dbraw/zinc/95/97/87/822959787.db2.gz LDPRVWXHDWMMFU-NRFANRHFSA-N 1 0 379.504 4.026 20 0 GIADRO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CCSC2(CCOCC2)C1 ZINC000186816601 822960173 /nfs/dbraw/zinc/96/01/73/822960173.db2.gz ADZGNRYUNHZUEL-SFHVURJKSA-N 1 0 396.556 4.279 20 0 GIADRO CC(C)(C)OCc1cc(C[NH2+][C@@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)no1 ZINC000186823653 822961593 /nfs/dbraw/zinc/96/15/93/822961593.db2.gz HHVULDAUWHPCBD-MAUKXSAKSA-N 1 0 395.544 4.163 20 0 GIADRO FC(F)(F)c1ccc(-c2ccc(C[NH2+]CCN3CCCOCC3)s2)cc1 ZINC000569742307 822962219 /nfs/dbraw/zinc/96/22/19/822962219.db2.gz PJRDKJGLTGCEAZ-UHFFFAOYSA-N 1 0 384.467 4.246 20 0 GIADRO CCSc1cccc(Br)c1NC(=O)N(C)CC[NH+]1CCCC1 ZINC000569746830 822962833 /nfs/dbraw/zinc/96/28/33/822962833.db2.gz HLZSTAYCZSNCLM-UHFFFAOYSA-N 1 0 386.359 4.121 20 0 GIADRO C[C@@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)c1nc(C2CCCCC2)no1 ZINC000569748051 822962946 /nfs/dbraw/zinc/96/29/46/822962946.db2.gz GJAFPBZKZLIHQV-MRXNPFEDSA-N 1 0 382.508 4.204 20 0 GIADRO C[C@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)c1nc(C2CCCCC2)no1 ZINC000569748049 822963067 /nfs/dbraw/zinc/96/30/67/822963067.db2.gz GJAFPBZKZLIHQV-INIZCTEOSA-N 1 0 382.508 4.204 20 0 GIADRO CC(C)(C)OCc1cc(CNC2CC[NH+](Cc3ccccc3Cl)CC2)no1 ZINC000186831937 822963660 /nfs/dbraw/zinc/96/36/60/822963660.db2.gz IMWCUGGVYITBAI-UHFFFAOYSA-N 1 0 391.943 4.397 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(F)c(Cl)nc1Cl ZINC000175416240 822963779 /nfs/dbraw/zinc/96/37/79/822963779.db2.gz XAMIXTGZSOTPKW-CQSZACIVSA-N 1 0 396.293 4.122 20 0 GIADRO CC(C)n1c2ccc(C(=O)NCC[C@@H]3CCC[N@H+](C)C3)cc2nc1C(F)(F)F ZINC000458162574 822963939 /nfs/dbraw/zinc/96/39/39/822963939.db2.gz IRXWGLUSCSYLSY-AWEZNQCLSA-N 1 0 396.457 4.098 20 0 GIADRO C[N@@H+]1CCC[C@H](CCNC(=O)[C@@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)C1 ZINC000458170622 822964869 /nfs/dbraw/zinc/96/48/69/822964869.db2.gz PGXPALZMYCBTIK-CTUHWIOQSA-N 1 0 392.543 4.217 20 0 GIADRO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CCC(=O)Nc1ccc(Cl)cc1F ZINC000175421090 822964903 /nfs/dbraw/zinc/96/49/03/822964903.db2.gz FHWATEATDPGAGP-ZBSNKRKSSA-N 1 0 396.915 4.238 20 0 GIADRO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CCSC2(CCOCC2)C1 ZINC000186840059 822965336 /nfs/dbraw/zinc/96/53/36/822965336.db2.gz OIONNEGOKIYTNQ-IRXDYDNUSA-N 1 0 376.566 4.125 20 0 GIADRO C[NH+](C)CCc1ccc(CNC(=O)CCSc2cccc(Cl)c2)cc1 ZINC000569767197 822965799 /nfs/dbraw/zinc/96/57/99/822965799.db2.gz WCIJENBWRBDZNB-UHFFFAOYSA-N 1 0 376.953 4.243 20 0 GIADRO C[NH+](C)Cc1ccc(NC(=O)c2nc3ccccc3cc2Br)cc1 ZINC000569769043 822966294 /nfs/dbraw/zinc/96/62/94/822966294.db2.gz TXLPEQXGCOBUQV-UHFFFAOYSA-N 1 0 384.277 4.311 20 0 GIADRO COc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H](c1ccccc1)C(F)(F)F ZINC000186847746 822966952 /nfs/dbraw/zinc/96/69/52/822966952.db2.gz KTLIDTZAZYOUSZ-GOEBONIOSA-N 1 0 380.410 4.348 20 0 GIADRO CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(OCC[NH+](C)C)c(C)c2)c1C(C)C ZINC000458195106 822967426 /nfs/dbraw/zinc/96/74/26/822967426.db2.gz LENRGBNEPWUFGX-UHFFFAOYSA-N 1 0 385.508 4.150 20 0 GIADRO Cc1cc(NC(=O)CCc2ccnc3ccccc23)ccc1OCC[NH+](C)C ZINC000458198143 822967655 /nfs/dbraw/zinc/96/76/55/822967655.db2.gz OXIOLEYTFANOBB-UHFFFAOYSA-N 1 0 377.488 4.055 20 0 GIADRO Cc1oc(-c2cccs2)nc1CC(=O)Nc1ccc(OCC[NH+](C)C)c(C)c1 ZINC000458196632 822967700 /nfs/dbraw/zinc/96/77/00/822967700.db2.gz MZGVKXIASUROJX-UHFFFAOYSA-N 1 0 399.516 4.142 20 0 GIADRO CCOc1c(Cl)cc(C(=O)N(CC[NH+](C)C)Cc2ccsc2)cc1OC ZINC000458207791 822968779 /nfs/dbraw/zinc/96/87/79/822968779.db2.gz WSPIHMVEAMGPDZ-UHFFFAOYSA-N 1 0 396.940 4.013 20 0 GIADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)Nc2ccc(F)c(C3CC3)c2)CC1 ZINC000569789296 822969447 /nfs/dbraw/zinc/96/94/47/822969447.db2.gz SOVMXOZSWGCVDE-OAHLLOKOSA-N 1 0 382.483 4.445 20 0 GIADRO O=C(Nc1ccc(Cl)c(OC(F)F)c1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000569791536 822969814 /nfs/dbraw/zinc/96/98/14/822969814.db2.gz OYTADAWIOAACPY-IUODEOHRSA-N 1 0 387.858 4.327 20 0 GIADRO C/C(=C\C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)c1ccccc1OC(F)F ZINC000175443595 822970419 /nfs/dbraw/zinc/97/04/19/822970419.db2.gz IVEKTMCGBQCGSE-HJUDDPQBSA-N 1 0 378.463 4.026 20 0 GIADRO C[C@H](NC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1cncc(F)c1 ZINC000569804466 822971230 /nfs/dbraw/zinc/97/12/30/822971230.db2.gz BUGHVDIYKKXLJI-LIRRHRJNSA-N 1 0 390.890 4.071 20 0 GIADRO COc1ccc([C@@H]([NH2+]CCCCCS(C)(=O)=O)c2ccccc2Cl)cc1 ZINC000186872013 822972142 /nfs/dbraw/zinc/97/21/42/822972142.db2.gz NZGWFZVGPJWYNN-HXUWFJFHSA-N 1 0 395.952 4.243 20 0 GIADRO CC1(C)OCc2cc(CNc3cccc(C[NH+]4CCC(CO)CC4)c3)ccc2O1 ZINC000186877477 822973173 /nfs/dbraw/zinc/97/31/73/822973173.db2.gz MIOODRXNSHGOAJ-UHFFFAOYSA-N 1 0 396.531 4.148 20 0 GIADRO CCN(Cc1ccccc1Br)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000569837564 822974575 /nfs/dbraw/zinc/97/45/75/822974575.db2.gz ALFGOEACFAJGBP-JKSUJKDBSA-N 1 0 396.373 4.101 20 0 GIADRO Cc1ccc(OCc2nc(CN3CCc4ccccc4[C@H]3C[NH3+])cs2)cc1 ZINC000569846443 822975376 /nfs/dbraw/zinc/97/53/76/822975376.db2.gz TXXBOSXMTBVNNE-OAQYLSRUSA-N 1 0 379.529 4.089 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(OC2CCC2)c(F)c1)c1cccs1 ZINC000175471634 822977003 /nfs/dbraw/zinc/97/70/03/822977003.db2.gz BIYWKJCZPGBCOZ-INIZCTEOSA-N 1 0 377.485 4.243 20 0 GIADRO C[C@H](NC1CC[NH+](Cc2ccccc2)CC1)c1ncc(Br)cc1F ZINC000186904911 822977507 /nfs/dbraw/zinc/97/75/07/822977507.db2.gz CJLIWOOADBWPFF-AWEZNQCLSA-N 1 0 392.316 4.298 20 0 GIADRO C[NH2+]CCc1ccccc1C(=O)N1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000569860097 822977553 /nfs/dbraw/zinc/97/75/53/822977553.db2.gz OCEZFYHGEOJMBB-UHFFFAOYSA-N 1 0 379.479 4.089 20 0 GIADRO Cc1nc(CCCC(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)cs1 ZINC000175475005 822977895 /nfs/dbraw/zinc/97/78/95/822977895.db2.gz IHIDLMNKQIZZFG-IBGZPJMESA-N 1 0 391.968 4.381 20 0 GIADRO C[C@@H](NC(=O)CC(C)(C)C)c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000186907686 822978066 /nfs/dbraw/zinc/97/80/66/822978066.db2.gz KGCBWDJAUWMKLZ-MRXNPFEDSA-N 1 0 384.524 4.336 20 0 GIADRO Cc1onc(-c2ccccc2C)c1C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000458284131 822978091 /nfs/dbraw/zinc/97/80/91/822978091.db2.gz YLRCDQQLYUPHMH-UHFFFAOYSA-N 1 0 397.450 4.290 20 0 GIADRO COc1ccc(NC(=O)C[C@H](C)[NH2+]CC2CC(c3ccccc3)C2)c(OC)c1 ZINC000569870803 822978775 /nfs/dbraw/zinc/97/87/75/822978775.db2.gz LZSOYZKJIAWCIZ-MUYFXNHWSA-N 1 0 382.504 4.204 20 0 GIADRO C[C@@H](C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1)c1cn(C)c2ccccc12 ZINC000458300563 822980276 /nfs/dbraw/zinc/98/02/76/822980276.db2.gz VCIKQAUWSXXRLT-OAHLLOKOSA-N 1 0 383.467 4.000 20 0 GIADRO COc1ccccc1OCc1ccc(C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)o1 ZINC000458299188 822980346 /nfs/dbraw/zinc/98/03/46/822980346.db2.gz ZYLVHVVGJHYXSB-UHFFFAOYSA-N 1 0 394.471 4.490 20 0 GIADRO Cc1cccc(C(=O)Nc2ccc(OCC[NH+](C)C)c(F)c2)c1Br ZINC000458305445 822981106 /nfs/dbraw/zinc/98/11/06/822981106.db2.gz ZNAMOXFGMCFXNR-UHFFFAOYSA-N 1 0 395.272 4.089 20 0 GIADRO Cc1cc(NC(=O)CSc2ccc(C(F)(F)F)cn2)ccc1C[NH+](C)C ZINC000458316495 822982492 /nfs/dbraw/zinc/98/24/92/822982492.db2.gz MALQTVLVDRTOBI-UHFFFAOYSA-N 1 0 383.439 4.201 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000458318109 822982762 /nfs/dbraw/zinc/98/27/62/822982762.db2.gz OBNKMJZJXQZVFD-UHFFFAOYSA-N 1 0 376.504 4.040 20 0 GIADRO C[C@@H]([NH2+][C@@H](c1ccccc1)c1ccc(Cl)cc1)C1CCS(=O)(=O)CC1 ZINC000186934967 822983180 /nfs/dbraw/zinc/98/31/80/822983180.db2.gz YLXMCZGXUDVYIZ-QRWLVFNGSA-N 1 0 377.937 4.232 20 0 GIADRO CCN(C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H](C)Cc1ccsc1 ZINC000186934846 822983229 /nfs/dbraw/zinc/98/32/29/822983229.db2.gz LYXUZKZPMZSYRL-SIKLNZKXSA-N 1 0 399.604 4.275 20 0 GIADRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccsc1)c1nc(C(C)(C)C)cs1 ZINC000458328558 822983760 /nfs/dbraw/zinc/98/37/60/822983760.db2.gz BFJZLDFPRUGACE-CQSZACIVSA-N 1 0 394.610 4.337 20 0 GIADRO Cc1cccc(NC(=O)C[N@H+](C)CCCC(=O)Nc2c(C)cccc2C)c1C ZINC000175500161 822984321 /nfs/dbraw/zinc/98/43/21/822984321.db2.gz MUDWOMFXCGBNLB-UHFFFAOYSA-N 1 0 381.520 4.209 20 0 GIADRO COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000569909106 822984551 /nfs/dbraw/zinc/98/45/51/822984551.db2.gz NVQJWIMZSHXGTP-NVXWUHKLSA-N 1 0 399.466 4.151 20 0 GIADRO CCN(CCc1ccccc1)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000175506241 822985558 /nfs/dbraw/zinc/98/55/58/822985558.db2.gz PEWIUBDKBMUUAI-CTNGQTDRSA-N 1 0 385.577 4.405 20 0 GIADRO Cc1ccc(C[C@H](C)NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)c(C)c1 ZINC000458359850 822986854 /nfs/dbraw/zinc/98/68/54/822986854.db2.gz GUVCPLIISKVIGR-KRWDZBQOSA-N 1 0 399.501 4.293 20 0 GIADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)NC[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000569935758 822987416 /nfs/dbraw/zinc/98/74/16/822987416.db2.gz IXJZMRXNNXXUBL-AABGKKOBSA-N 1 0 399.560 4.105 20 0 GIADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)NC[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000569935759 822987505 /nfs/dbraw/zinc/98/75/05/822987505.db2.gz IXJZMRXNNXXUBL-AQNXPRMDSA-N 1 0 399.560 4.105 20 0 GIADRO Cc1nc(-c2ccccc2)ncc1C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000569943431 822988252 /nfs/dbraw/zinc/98/82/52/822988252.db2.gz BTNPFARKANSSEO-FQEVSTJZSA-N 1 0 394.906 4.138 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@H](Nc3ccccc3)C2)[C@@H]1c1cccs1 ZINC000175518340 822989420 /nfs/dbraw/zinc/98/94/20/822989420.db2.gz OGKULHOOSAMSMO-SLYNCCJLSA-N 1 0 398.576 4.027 20 0 GIADRO C[NH+](C)C[C@H](NC(=O)Nc1ccc(F)cc1C(F)(F)F)c1ccc(F)cc1 ZINC000569952916 822989495 /nfs/dbraw/zinc/98/94/95/822989495.db2.gz YQSPVUDGUGVJGX-INIZCTEOSA-N 1 0 387.352 4.408 20 0 GIADRO Cc1nc([C@H]2CCCN2C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)cs1 ZINC000186982120 822991984 /nfs/dbraw/zinc/99/19/84/822991984.db2.gz OTCKJAYVAGJSRQ-OXJNMPFZSA-N 1 0 386.565 4.209 20 0 GIADRO Cc1nc(CCCC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000175531905 822992174 /nfs/dbraw/zinc/99/21/74/822992174.db2.gz RUYZVBRVKWVLIZ-QGZVFWFLSA-N 1 0 385.577 4.323 20 0 GIADRO O=C(C1CCCCC1)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000175533437 822992340 /nfs/dbraw/zinc/99/23/40/822992340.db2.gz GAVPKIOHUXEFGP-SFHVURJKSA-N 1 0 382.470 4.480 20 0 GIADRO O=C(c1cc(Cl)c[nH]1)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000175533741 822992605 /nfs/dbraw/zinc/99/26/05/822992605.db2.gz DCFBKVUFALDHAM-OAHLLOKOSA-N 1 0 399.844 4.195 20 0 GIADRO C[C@H]([NH2+]C[C@@H]1CCN(c2ccccc2)C1)c1ncc(Br)cc1F ZINC000186993983 822993722 /nfs/dbraw/zinc/99/37/22/822993722.db2.gz IYBYTNBSSUKDOF-KBPBESRZSA-N 1 0 378.289 4.160 20 0 GIADRO CC(C)C[C@@H]([NH2+][C@H](C)c1cncc(Br)c1)C(=O)Nc1nccs1 ZINC000569988143 822993770 /nfs/dbraw/zinc/99/37/70/822993770.db2.gz FGPPOQMNDMBJFU-BXUZGUMPSA-N 1 0 397.342 4.005 20 0 GIADRO Cc1c[nH+]ccc1N1CCC(c2nc(-c3ccc(N4CCCC4)cc3)no2)CC1 ZINC000569989272 822993996 /nfs/dbraw/zinc/99/39/96/822993996.db2.gz VJOHBQUKBCUTIA-UHFFFAOYSA-N 1 0 389.503 4.424 20 0 GIADRO COc1ccc2c(CC(=O)N[C@H](C[NH+](C)C)c3ccc(Cl)cc3)coc2c1 ZINC000569990373 822993998 /nfs/dbraw/zinc/99/39/98/822993998.db2.gz DCRUTCGTUTWPOZ-LJQANCHMSA-N 1 0 386.879 4.056 20 0 GIADRO CC(C)C[C@H](NC(=O)C[NH2+]C1(c2ccc(F)cc2)CCOCC1)c1ccccc1 ZINC000569995799 822994628 /nfs/dbraw/zinc/99/46/28/822994628.db2.gz NEEDEWAHUIEXSD-QFIPXVFZSA-N 1 0 398.522 4.325 20 0 GIADRO Clc1ccccc1-c1csc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)n1 ZINC000187002015 822995328 /nfs/dbraw/zinc/99/53/28/822995328.db2.gz OPVARHREROHWAU-CQSZACIVSA-N 1 0 399.951 4.381 20 0 GIADRO CCNC(=O)COc1ccc(C[NH2+][C@H](c2ccc(C)cc2)C2CCC2)cc1OC ZINC000187014974 822997647 /nfs/dbraw/zinc/99/76/47/822997647.db2.gz BQXRXNYNZQPWHA-DEOSSOPVSA-N 1 0 396.531 4.150 20 0 GIADRO CCOCCC[N@@H+]1CC[C@H](NCc2nc3cc(C(F)(F)F)ccc3o2)[C@H](C)C1 ZINC000187017758 822998358 /nfs/dbraw/zinc/99/83/58/822998358.db2.gz RZJJFQXTIIQLLR-ZBFHGGJFSA-N 1 0 399.457 4.073 20 0 GIADRO C[C@@H]([NH2+]C[C@H](c1ccc(F)cc1)N(C)C)c1ncc(Br)cc1F ZINC000187031927 823000952 /nfs/dbraw/zinc/00/09/52/823000952.db2.gz INTSOMIJKYPADO-BDJLRTHQSA-N 1 0 384.268 4.076 20 0 GIADRO Cc1cnc([C@H](NC(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)C2CC2)s1 ZINC000175580195 823001660 /nfs/dbraw/zinc/00/16/60/823001660.db2.gz SWDCOIUPWGVOLB-HNAYVOBHSA-N 1 0 386.565 4.112 20 0 GIADRO C[C@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000175583898 823002022 /nfs/dbraw/zinc/00/20/22/823002022.db2.gz XHDSFTDWXBOOTR-AWEZNQCLSA-N 1 0 383.458 4.473 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)NCCc2cccc(Cl)c2)CC1 ZINC000175587370 823002726 /nfs/dbraw/zinc/00/27/26/823002726.db2.gz AAWJASOPMLIPBH-UHFFFAOYSA-N 1 0 385.939 4.189 20 0 GIADRO CC(=O)N[C@H](CC1CCC1)c1nc(-c2ccccc2C[NH+]2CCCCC2)no1 ZINC000570081626 823004126 /nfs/dbraw/zinc/00/41/26/823004126.db2.gz SEPIPQQZBGWUJA-HXUWFJFHSA-N 1 0 382.508 4.090 20 0 GIADRO Cc1ccccc1[C@@H](OC[C@H](O)C[NH2+]Cc1ccn(C(C)C)n1)c1ccccc1 ZINC000570081993 823004293 /nfs/dbraw/zinc/00/42/93/823004293.db2.gz CDWBJHPMVHRLEL-VWNXMTODSA-N 1 0 393.531 4.029 20 0 GIADRO CC(C)C[C@@H]([NH3+])c1noc(-c2csc(-c3cnn(-c4ccccc4)c3)n2)n1 ZINC000570091505 823005116 /nfs/dbraw/zinc/00/51/16/823005116.db2.gz AWMCSLXELSXMDK-OAHLLOKOSA-N 1 0 380.477 4.092 20 0 GIADRO CCc1nc(C)c([C@H](C)[N@H+](C)C[C@H](O)CO[C@@H]2CCCc3ccccc32)s1 ZINC000570094515 823005302 /nfs/dbraw/zinc/00/53/02/823005302.db2.gz CIKUJXCEZALOQN-XKGZKEIXSA-N 1 0 388.577 4.462 20 0 GIADRO O=C(c1ccc(F)c(Cl)c1F)N1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000570113221 823006812 /nfs/dbraw/zinc/00/68/12/823006812.db2.gz DDYUVZKBCMZULU-UHFFFAOYSA-N 1 0 387.817 4.129 20 0 GIADRO COCCOc1ccc(NC(=O)N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)c(C)c1 ZINC000570115369 823007152 /nfs/dbraw/zinc/00/71/52/823007152.db2.gz BJZMKBUINTWEQF-XMSQKQJNSA-N 1 0 399.535 4.142 20 0 GIADRO CC[C@H](C)[NH2+][C@H](CNC(=O)[C@H](C)c1ccc(C(=O)C(C)C)cc1)c1ccco1 ZINC000570119031 823007394 /nfs/dbraw/zinc/00/73/94/823007394.db2.gz ASKAXIRVZWUQJB-SQGPQFPESA-N 1 0 384.520 4.467 20 0 GIADRO COc1ccccc1Oc1ccc(NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)cc1F ZINC000175617050 823007508 /nfs/dbraw/zinc/00/75/08/823007508.db2.gz BLLNMVDHJYLQFY-QGZVFWFLSA-N 1 0 397.450 4.105 20 0 GIADRO CCCC[C@@H]([NH2+]CCS(=O)(=O)c1ccc(F)cc1)c1ccc(OC)cc1 ZINC000570128616 823008434 /nfs/dbraw/zinc/00/84/34/823008434.db2.gz KFJDNSOONKSCRY-HXUWFJFHSA-N 1 0 379.497 4.129 20 0 GIADRO CCN(CC)C(=O)c1ccc(NC(=O)C[N@@H+]2CCCC[C@H]2c2ccccc2)cc1 ZINC000570135315 823009084 /nfs/dbraw/zinc/00/90/84/823009084.db2.gz MYYFEMAMTFFPFQ-QFIPXVFZSA-N 1 0 393.531 4.334 20 0 GIADRO CC1(C)OCc2cc(C[NH2+]C3CCN(CCc4ccccc4)CC3)ccc2O1 ZINC000187088551 823009217 /nfs/dbraw/zinc/00/92/17/823009217.db2.gz CRCPJKUUYCEXNU-UHFFFAOYSA-N 1 0 380.532 4.128 20 0 GIADRO COc1ccccc1[C@@H](CC(C)C)NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000175627046 823009274 /nfs/dbraw/zinc/00/92/74/823009274.db2.gz WZHJYPNLSNXTQX-PZJWPPBQSA-N 1 0 387.568 4.442 20 0 GIADRO COc1ccc([C@H](C)NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)cc1F ZINC000175628215 823009494 /nfs/dbraw/zinc/00/94/94/823009494.db2.gz KESQSRNYWNAIHC-KRWDZBQOSA-N 1 0 399.510 4.201 20 0 GIADRO C[C@H](c1nc(-c2cccs2)no1)N1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000570141541 823009880 /nfs/dbraw/zinc/00/98/80/823009880.db2.gz LSXQXDGJJHIIFU-OAHLLOKOSA-N 1 0 391.500 4.230 20 0 GIADRO C[C@H]1C[C@@H](NC(=O)N2CCC(C(F)(F)F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000175635904 823010501 /nfs/dbraw/zinc/01/05/01/823010501.db2.gz JMJSITCWCVFBAK-YJBOKZPZSA-N 1 0 383.458 4.023 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH2+]Cc1cc(OC)c(OC)c(OC)c1 ZINC000187101602 823010590 /nfs/dbraw/zinc/01/05/90/823010590.db2.gz CFQQRAQTBMAVPA-UHFFFAOYSA-N 1 0 394.471 4.073 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH2+]Cc1ccc(N2CCCC2=O)cc1 ZINC000187104434 823010907 /nfs/dbraw/zinc/01/09/07/823010907.db2.gz BUUIRRZVNNDNQI-UHFFFAOYSA-N 1 0 387.483 4.174 20 0 GIADRO CC1(C)OCc2cc(C[NH2+]Cc3ccc(N4CCCCCC4)nc3)ccc2O1 ZINC000187110843 823011911 /nfs/dbraw/zinc/01/19/11/823011911.db2.gz GZOZUEZAQKZVEX-UHFFFAOYSA-N 1 0 381.520 4.397 20 0 GIADRO CC[C@H]([NH2+][C@H](C)c1cc(C(=O)OC)cs1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000570171265 823012077 /nfs/dbraw/zinc/01/20/77/823012077.db2.gz URUQSHKUJWKWFF-BPAFIMBUSA-N 1 0 398.532 4.153 20 0 GIADRO CC(C)COC(=O)Nc1cccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000175644873 823012172 /nfs/dbraw/zinc/01/21/72/823012172.db2.gz SXURBACBALIQHX-YQQQUEKLSA-N 1 0 388.512 4.028 20 0 GIADRO COc1ccc(C[C@H](C)C[NH2+]Cc2ccc(-n3nc(C)cc3C)nc2)cc1F ZINC000187114895 823012619 /nfs/dbraw/zinc/01/26/19/823012619.db2.gz ZLHLCYBGZVYYQC-HNNXBMFYSA-N 1 0 382.483 4.000 20 0 GIADRO C[NH+](C)CCCOC1CCN(C(=O)N[C@@H](c2ccccc2)C2CCCC2)CC1 ZINC000175654129 823013388 /nfs/dbraw/zinc/01/33/88/823013388.db2.gz YSDFYFLJYGYSBJ-QFIPXVFZSA-N 1 0 387.568 4.060 20 0 GIADRO C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000175654442 823013571 /nfs/dbraw/zinc/01/35/71/823013571.db2.gz DTXDHLBLRNYIOA-ZHRRBRCNSA-N 1 0 399.510 4.348 20 0 GIADRO CCC[C@@H](NC(=O)[C@H](C)N1CC[NH+](C2CCC(C)CC2)CC1)c1ccccc1 ZINC000570193506 823014070 /nfs/dbraw/zinc/01/40/70/823014070.db2.gz SEFIMTLGIBVRAZ-VNMGMYBJSA-N 1 0 385.596 4.229 20 0 GIADRO Cc1cc2c(cc1C)[C@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)CCS2 ZINC000187125528 823014350 /nfs/dbraw/zinc/01/43/50/823014350.db2.gz WTPNQRMIOBSMAU-LJQANCHMSA-N 1 0 375.559 4.175 20 0 GIADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CC1(c2ccc(F)cc2)CC1 ZINC000187128521 823014802 /nfs/dbraw/zinc/01/48/02/823014802.db2.gz GXIAXQDCYNYYQE-UHFFFAOYSA-N 1 0 381.900 4.094 20 0 GIADRO Cc1ccncc1CCC[NH2+][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000570203431 823015091 /nfs/dbraw/zinc/01/50/91/823015091.db2.gz HGTFRDVVOCCEJW-QGZVFWFLSA-N 1 0 378.303 4.025 20 0 GIADRO CC(C)n1cc(Br)cc1C(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000175663789 823015537 /nfs/dbraw/zinc/01/55/37/823015537.db2.gz LTSSQWGNDSKBBV-UHFFFAOYSA-N 1 0 398.370 4.097 20 0 GIADRO CCC(CC)C(=O)N1CCC([NH2+]Cc2cc(-c3ccncc3)ccc2OC)CC1 ZINC000187135206 823015851 /nfs/dbraw/zinc/01/58/51/823015851.db2.gz RGMCHMYDIYBBNF-UHFFFAOYSA-N 1 0 395.547 4.274 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(F)c(OC)c1 ZINC000187135181 823015867 /nfs/dbraw/zinc/01/58/67/823015867.db2.gz DIEVHMKBZIAMJK-GOSISDBHSA-N 1 0 385.483 4.210 20 0 GIADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCC1(c2ccc(Cl)cc2)CCCC1 ZINC000175669972 823016792 /nfs/dbraw/zinc/01/67/92/823016792.db2.gz NQKSSNSFQHJSEI-FQEVSTJZSA-N 1 0 392.971 4.061 20 0 GIADRO O=C(c1ccc2c[nH+]cn2c1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000570229311 823016929 /nfs/dbraw/zinc/01/69/29/823016929.db2.gz OJEVSYIMNYHTMM-UHFFFAOYSA-N 1 0 391.452 4.014 20 0 GIADRO CN(CCC[NH+]1CCCC1)C(=O)c1cccc2cccc(Br)c21 ZINC000570232228 823017156 /nfs/dbraw/zinc/01/71/56/823017156.db2.gz DGHZBTIKRUYLQA-UHFFFAOYSA-N 1 0 375.310 4.160 20 0 GIADRO O=C(NC1CC[NH+](Cc2cccnc2)CC1)[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000175674170 823017585 /nfs/dbraw/zinc/01/75/85/823017585.db2.gz NBQLABFQRVVERX-ZEQRLZLVSA-N 1 0 385.511 4.119 20 0 GIADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H]2CCSc3cc(C)c(C)cc32)c1 ZINC000187148870 823017664 /nfs/dbraw/zinc/01/76/64/823017664.db2.gz LZIPJGIWYRVFMN-DNVCBOLYSA-N 1 0 390.574 4.099 20 0 GIADRO C[NH+](C)C[C@H](NC(=O)c1cc(Cl)ccc1Br)c1ccc(F)cc1 ZINC000570238778 823017789 /nfs/dbraw/zinc/01/77/89/823017789.db2.gz XVHRJLFJAIDPEP-INIZCTEOSA-N 1 0 399.691 4.274 20 0 GIADRO O=C(NCc1nc(C[N@@H+]2CCC[C@@]3(CC=CCC3)C2)cs1)c1ccccc1 ZINC000175674428 823017777 /nfs/dbraw/zinc/01/77/77/823017777.db2.gz MDJAGHBDHUBNFZ-QFIPXVFZSA-N 1 0 381.545 4.395 20 0 GIADRO COc1ccc(C[C@@H](C)C[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)cc1F ZINC000187159086 823018825 /nfs/dbraw/zinc/01/88/25/823018825.db2.gz CHALHLKUZBNLBH-CVEARBPZSA-N 1 0 386.467 4.320 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(Oc3ccc(Cl)cc3)nc2)CC[N@@H+]1C ZINC000175681214 823019168 /nfs/dbraw/zinc/01/91/68/823019168.db2.gz SYTZWNXSNDTRJN-YOEHRIQHSA-N 1 0 388.899 4.474 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(Oc3ccc(Cl)cc3)nc2)CC[N@@H+]1C ZINC000175681159 823019223 /nfs/dbraw/zinc/01/92/23/823019223.db2.gz SYTZWNXSNDTRJN-RHSMWYFYSA-N 1 0 388.899 4.474 20 0 GIADRO O=C1[C@H]([NH2+]C2CC(c3cc(F)cc(F)c3)C2)CCN1c1ccccc1Cl ZINC000570248837 823019230 /nfs/dbraw/zinc/01/92/30/823019230.db2.gz WNZCCBQBPMYDDW-PVCYVWKFSA-N 1 0 376.834 4.259 20 0 GIADRO C[C@@H](NC(=O)Nc1cccc2c1CC[NH2+]C2)c1ccc(OCC(F)(F)F)cc1 ZINC000570263231 823020690 /nfs/dbraw/zinc/02/06/90/823020690.db2.gz SYFMVPQCTIRXPS-CYBMUJFWSA-N 1 0 393.409 4.156 20 0 GIADRO Cc1ccc(NC(=O)N[C@@H](C)C[NH+]2CCCCCC2)cc1NC(=O)C(C)(C)C ZINC000187177340 823021020 /nfs/dbraw/zinc/02/10/20/823021020.db2.gz ABXFUFUFKRODPJ-KRWDZBQOSA-N 1 0 388.556 4.366 20 0 GIADRO C[C@@H](NC(=O)CS[C@@H](C)c1nc2ccccc2[nH]1)[C@@H](c1ccccc1)[NH+](C)C ZINC000187182250 823021745 /nfs/dbraw/zinc/02/17/45/823021745.db2.gz WQVMYIZPXGASCG-XFQAVAEZSA-N 1 0 396.560 4.165 20 0 GIADRO CCCc1c(NC(=O)CC[C@H]([NH3+])c2ccccc2)cnn1-c1cccc(F)c1 ZINC000570278162 823021963 /nfs/dbraw/zinc/02/19/63/823021963.db2.gz OXUCQWWPLFUBKV-IBGZPJMESA-N 1 0 380.467 4.383 20 0 GIADRO C[C@@H](CCNC(=O)Nc1cccc(NC(=O)C2CC2)c1)[N@H+](C)Cc1ccccc1 ZINC000175694419 823022078 /nfs/dbraw/zinc/02/20/78/823022078.db2.gz YWYOVHSNTPSQNR-KRWDZBQOSA-N 1 0 394.519 4.067 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+][C@@H](C)C1CCS(=O)(=O)CC1 ZINC000187185860 823022309 /nfs/dbraw/zinc/02/23/09/823022309.db2.gz WWZUVCFXKUHEES-LSDHHAIUSA-N 1 0 392.590 4.291 20 0 GIADRO Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)C1 ZINC000187186655 823022526 /nfs/dbraw/zinc/02/25/26/823022526.db2.gz RYGOICVALHYQAE-GOSISDBHSA-N 1 0 397.950 4.174 20 0 GIADRO Cc1c[nH+]ccc1N1CCC(C(=O)NC2(Cc3cccc(Cl)c3)CC2)CC1 ZINC000570290136 823022804 /nfs/dbraw/zinc/02/28/04/823022804.db2.gz RJVVUESVRYIRRM-UHFFFAOYSA-N 1 0 383.923 4.151 20 0 GIADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCC(OC2CCCCC2)CC1 ZINC000570311877 823024669 /nfs/dbraw/zinc/02/46/69/823024669.db2.gz XPYYEGRYBOMMCF-LJQANCHMSA-N 1 0 387.568 4.030 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000175708272 823024688 /nfs/dbraw/zinc/02/46/88/823024688.db2.gz MBPRZIBENZJHBS-LJQANCHMSA-N 1 0 395.551 4.150 20 0 GIADRO CC(=O)Nc1ccc(C)c(C(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)c1 ZINC000187208352 823025161 /nfs/dbraw/zinc/02/51/61/823025161.db2.gz UBBPGZQZQIXYSV-FQEVSTJZSA-N 1 0 399.560 4.218 20 0 GIADRO C[C@H]1CC[N@H+](Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C[C@H]1n1ccnc1 ZINC000570318289 823025378 /nfs/dbraw/zinc/02/53/78/823025378.db2.gz FZYBPEWNMNEVOF-HNAYVOBHSA-N 1 0 389.425 4.171 20 0 GIADRO O=C(Nc1cccc2c1CC[NH2+]C2)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000570322035 823025731 /nfs/dbraw/zinc/02/57/31/823025731.db2.gz POYIRDLRKQSKKG-UHFFFAOYSA-N 1 0 378.369 4.161 20 0 GIADRO CN1C(=O)CCc2cc(C[NH2+][C@H]3CCc4c3cccc4Br)ccc21 ZINC000187214347 823025814 /nfs/dbraw/zinc/02/58/14/823025814.db2.gz DQQHEFZXOWDLQG-SFHVURJKSA-N 1 0 385.305 4.135 20 0 GIADRO CC(C)Oc1cccc([C@H](O)C[NH2+][C@H](C)c2ncc(Br)cc2F)c1 ZINC000187217608 823026367 /nfs/dbraw/zinc/02/63/67/823026367.db2.gz JWYMLOWUHISZIC-SJKOYZFVSA-N 1 0 397.288 4.155 20 0 GIADRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1 ZINC000187217767 823026512 /nfs/dbraw/zinc/02/65/12/823026512.db2.gz XKKDIBFFKWXMTR-CBZJRKILSA-N 1 0 393.597 4.120 20 0 GIADRO Brc1ccccc1-c1cnc(C[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)o1 ZINC000570329821 823026530 /nfs/dbraw/zinc/02/65/30/823026530.db2.gz UUIZYDQPXSDBHL-YOEHRIQHSA-N 1 0 391.309 4.495 20 0 GIADRO CC[C@H](C)n1ncc(NC(=O)N(Cc2ccncc2)C[C@@H]2CCC[N@@H+]2CC)c1C ZINC000570340909 823027084 /nfs/dbraw/zinc/02/70/84/823027084.db2.gz RPUWFKWMDYYEOF-PXNSSMCTSA-N 1 0 398.555 4.076 20 0 GIADRO Cc1ccc(NC(=O)c2cnc3c(F)ccc(F)c3c2)c(OCC[NH+](C)C)c1 ZINC000570349422 823027560 /nfs/dbraw/zinc/02/75/60/823027560.db2.gz MULMDNPSYPTJOF-UHFFFAOYSA-N 1 0 385.414 4.014 20 0 GIADRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H](CCO)c2ccccc2)c1O ZINC000187235072 823028680 /nfs/dbraw/zinc/02/86/80/823028680.db2.gz NXKYTWRGWMEHOH-HOCLYGCPSA-N 1 0 378.310 4.280 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)Nc2ccccc2N(C)Cc2ccccc2)CC[N@@H+]1C ZINC000175733297 823028764 /nfs/dbraw/zinc/02/87/64/823028764.db2.gz DYLBOVNVBPGXDW-AZUAARDMSA-N 1 0 380.536 4.269 20 0 GIADRO CC[NH+](CC)[C@@H](C(=O)Nc1cc(C(=O)N(C)C)ccc1Cl)c1ccccc1 ZINC000175733430 823028850 /nfs/dbraw/zinc/02/88/50/823028850.db2.gz XPJQCSTYGQRZEH-LJQANCHMSA-N 1 0 387.911 4.063 20 0 GIADRO CC[NH+](CC)CCOc1ccc(-c2noc(C(C)(C)C3CCOCC3)n2)cc1 ZINC000570363209 823029109 /nfs/dbraw/zinc/02/91/09/823029109.db2.gz CMJZYXMKLIFYOU-UHFFFAOYSA-N 1 0 387.524 4.161 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH2+]C[C@@](C)(O)c1ccc(F)cc1F ZINC000187241032 823029366 /nfs/dbraw/zinc/02/93/66/823029366.db2.gz JWQSEBMFHXCUNB-JOCHJYFZSA-N 1 0 384.426 4.033 20 0 GIADRO CC(=O)Nc1cccc(OCC[NH2+]C[C@@H](C)c2ccc(C(F)(F)F)cc2)c1 ZINC000570365307 823029454 /nfs/dbraw/zinc/02/94/54/823029454.db2.gz GNXXASOLDBSAPH-CQSZACIVSA-N 1 0 380.410 4.436 20 0 GIADRO Cc1ccc(C[C@@H]([NH2+]Cc2ccc3c(c2)CCC(=O)N3C)c2ccccn2)cc1 ZINC000187243586 823029539 /nfs/dbraw/zinc/02/95/39/823029539.db2.gz FUKWHPPKUJCUKE-HSZRJFAPSA-N 1 0 385.511 4.373 20 0 GIADRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)Nc2nc(-c3ccc(SC)cc3)cs2)C1(C)C ZINC000187248696 823030146 /nfs/dbraw/zinc/03/01/46/823030146.db2.gz DTIJLXCGWUGUTC-DNVCBOLYSA-N 1 0 391.562 4.003 20 0 GIADRO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000187251360 823030678 /nfs/dbraw/zinc/03/06/78/823030678.db2.gz RRERGFXVECDFJE-NEPJUHHUSA-N 1 0 380.330 4.095 20 0 GIADRO COc1cc2c(cc1OC)[C@@H](c1cccs1)[N@H+](CCCCCCO)CC2 ZINC000175744065 823030708 /nfs/dbraw/zinc/03/07/08/823030708.db2.gz WSYRROMSBMLZNU-NRFANRHFSA-N 1 0 375.534 4.266 20 0 GIADRO C[C@@H](Oc1cccnc1NC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2)c1ccccc1 ZINC000570372256 823030838 /nfs/dbraw/zinc/03/08/38/823030838.db2.gz IDUXWROFMDQKMK-WZONZLPQSA-N 1 0 394.519 4.171 20 0 GIADRO C[C@H](NC(=O)N1CCC(OCCC[NH+](C)C)CC1)c1cc2ccccc2s1 ZINC000175745945 823030953 /nfs/dbraw/zinc/03/09/53/823030953.db2.gz FHJCHEKBYRQKLO-INIZCTEOSA-N 1 0 389.565 4.105 20 0 GIADRO CC[C@@H](C)n1ncc(NC(=O)NC[C@@H](C(C)C)[N@@H+]2CCc3ccccc3C2)c1C ZINC000570378756 823031548 /nfs/dbraw/zinc/03/15/48/823031548.db2.gz YSKLNQIAHZSTGD-VGSWGCGISA-N 1 0 397.567 4.367 20 0 GIADRO Cc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000570380538 823031687 /nfs/dbraw/zinc/03/16/87/823031687.db2.gz AOCUNVRVCWJTJM-HSZRJFAPSA-N 1 0 395.551 4.086 20 0 GIADRO C[C@@H](NC(=O)c1ccc(Oc2cccnc2)cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000187259202 823031812 /nfs/dbraw/zinc/03/18/12/823031812.db2.gz BPYIUYLVXCEREB-VGSWGCGISA-N 1 0 375.472 4.295 20 0 GIADRO Cc1sc(CCNC(=O)c2ccc(C[NH+](C)C)cc2)nc1-c1ccccc1 ZINC000175754642 823032348 /nfs/dbraw/zinc/03/23/48/823032348.db2.gz HKSTXURDCGADKK-UHFFFAOYSA-N 1 0 379.529 4.153 20 0 GIADRO O[C@@H](C[NH2+]C[C@H](c1ccccc1)C(F)(F)F)COCc1ccc(Cl)cc1 ZINC000570390856 823032469 /nfs/dbraw/zinc/03/24/69/823032469.db2.gz RAMYZTYTIGEDDR-ZWKOTPCHSA-N 1 0 387.829 4.153 20 0 GIADRO Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000175757869 823032881 /nfs/dbraw/zinc/03/28/81/823032881.db2.gz NOPWWMRYMUMTLD-PZJWPPBQSA-N 1 0 387.568 4.025 20 0 GIADRO COc1ccc(C[NH+]2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)c(F)c1 ZINC000570402120 823033065 /nfs/dbraw/zinc/03/30/65/823033065.db2.gz MFZDQFXBHSTRCX-UHFFFAOYSA-N 1 0 392.858 4.044 20 0 GIADRO CCn1ncc2ccc(NC(=O)N3CC[C@H](C)[N@H+](Cc4ccccc4)CC3)cc21 ZINC000175760935 823033713 /nfs/dbraw/zinc/03/37/13/823033713.db2.gz QWSMZVZYZSWGRD-SFHVURJKSA-N 1 0 391.519 4.185 20 0 GIADRO C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)N1CC[C@@H](c2ccncc2)C1 ZINC000570408107 823033823 /nfs/dbraw/zinc/03/38/23/823033823.db2.gz WJRPYJAEZWNXLW-FUHWJXTLSA-N 1 0 384.549 4.082 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCCCC1)c1cnccc1C(F)(F)F ZINC000570406667 823033936 /nfs/dbraw/zinc/03/39/36/823033936.db2.gz RGMBMBLVYHRRLR-UHFFFAOYSA-N 1 0 391.437 4.406 20 0 GIADRO COc1c(Br)cccc1C[NH2+]C1(c2cccc(F)c2)CCOCC1 ZINC000187271850 823034358 /nfs/dbraw/zinc/03/43/58/823034358.db2.gz KWWNARDPJMHCPD-UHFFFAOYSA-N 1 0 394.284 4.392 20 0 GIADRO COc1ccccc1Oc1ccc(CNC(=O)NC(C)(C)CCC[NH+](C)C)cc1 ZINC000458378450 823034361 /nfs/dbraw/zinc/03/43/61/823034361.db2.gz MKUKKHWVRKVQGU-UHFFFAOYSA-N 1 0 399.535 4.407 20 0 GIADRO C[C@@H]([NH2+]C1(CNC(=O)N[C@@H](C)c2cncc(F)c2)CCCC1)c1ccccc1 ZINC000458382586 823034782 /nfs/dbraw/zinc/03/47/82/823034782.db2.gz YAKJBXOCLWBRDB-DLBZAZTESA-N 1 0 384.499 4.245 20 0 GIADRO CCS[C@H]1CCC[C@@H]([NH2+]Cc2cccc(Cl)c2S(=O)(=O)CC)C1 ZINC000187280619 823036243 /nfs/dbraw/zinc/03/62/43/823036243.db2.gz COHAVLYGGXMFCX-CABCVRRESA-N 1 0 375.987 4.288 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)C(C)(C)c3cccs3)C2)s1 ZINC000570427521 823036760 /nfs/dbraw/zinc/03/67/60/823036760.db2.gz NWPWLQRYXFEBFA-INIZCTEOSA-N 1 0 376.591 4.376 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)Cc1c[nH]c2ccccc12)[NH+]1CCCCC1 ZINC000055751944 823036799 /nfs/dbraw/zinc/03/67/99/823036799.db2.gz OOHTYOBRXMRIGD-JOCHJYFZSA-N 1 0 391.515 4.062 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCc3ccc(F)c(F)c32)[C@@H]1c1cccs1 ZINC000458417119 823038057 /nfs/dbraw/zinc/03/80/57/823038057.db2.gz FMSMVSRNIOEPED-KBXCAEBGSA-N 1 0 391.487 4.182 20 0 GIADRO C[C@@H]([NH2+]C1(CNC(=O)Nc2ccc([S@@](C)=O)cc2)CCCC1)c1ccccc1 ZINC000175779157 823038167 /nfs/dbraw/zinc/03/81/67/823038167.db2.gz YHMSQCYIVIXZRL-JYRCXFKTSA-N 1 0 399.560 4.209 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H]1CCN(c2ccccc2OC)C1 ZINC000187293942 823038313 /nfs/dbraw/zinc/03/83/13/823038313.db2.gz GZEZZNGNWALILO-OAQYLSRUSA-N 1 0 389.499 4.134 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)N2CC(C)(C)[C@@H]3CCC[C@@H]32)[C@H]1c1cccs1 ZINC000458422490 823038546 /nfs/dbraw/zinc/03/85/46/823038546.db2.gz JFITUFPUNVBLQB-VXNCWWDNSA-N 1 0 375.582 4.351 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H]1CCN(c2ncccc2Cl)C1 ZINC000187294505 823038507 /nfs/dbraw/zinc/03/85/07/823038507.db2.gz XRLKAGUKNQZUKD-LJQANCHMSA-N 1 0 394.906 4.174 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)C2(c3cc(C(F)(F)F)ccc3Cl)CC2)CC[N@@H+]1C ZINC000187299035 823039401 /nfs/dbraw/zinc/03/94/01/823039401.db2.gz NIMOBAFOBZEBJD-OCCSQVGLSA-N 1 0 388.861 4.332 20 0 GIADRO CC(C)Cc1ccc(C(=O)C2CCN(C(=O)C[C@@H]3CCCC[C@@H]3[NH3+])CC2)cc1 ZINC000570447415 823039966 /nfs/dbraw/zinc/03/99/66/823039966.db2.gz SIRJLSOITLZJKL-VXKWHMMOSA-N 1 0 384.564 4.214 20 0 GIADRO C[C@H]1CCCC[C@@H]1CCNC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458439137 823040414 /nfs/dbraw/zinc/04/04/14/823040414.db2.gz ZXYPRDXFGXFXGC-JKSUJKDBSA-N 1 0 377.495 4.261 20 0 GIADRO O[C@H](C[C@H]1CCC[N@@H+]1C[C@H](O)c1ccc(F)cc1Cl)c1ccc(F)cc1 ZINC000187306992 823040456 /nfs/dbraw/zinc/04/04/56/823040456.db2.gz HXUAXAJYAJZFJC-AHRSYUTCSA-N 1 0 381.850 4.240 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)c2c(F)cccc2Br)cc1 ZINC000175789214 823040663 /nfs/dbraw/zinc/04/06/63/823040663.db2.gz HDLDYWBYMZCJLI-UHFFFAOYSA-N 1 0 393.300 4.360 20 0 GIADRO CCOc1ccccc1CNC(=O)N(CC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000175790503 823040796 /nfs/dbraw/zinc/04/07/96/823040796.db2.gz PHUYHOFKPWRUNW-OAQYLSRUSA-N 1 0 395.547 4.139 20 0 GIADRO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)N1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000458442591 823040946 /nfs/dbraw/zinc/04/09/46/823040946.db2.gz TTXQPUDMIDTSCA-GVDBMIGSSA-N 1 0 377.495 4.404 20 0 GIADRO CN(C(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458462606 823043713 /nfs/dbraw/zinc/04/37/13/823043713.db2.gz RRQQAJCGZZRCJP-BZUAXINKSA-N 1 0 375.479 4.013 20 0 GIADRO CCCn1c(C)cc(/C=C(/C#N)C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)c1C ZINC000060565965 823543030 /nfs/dbraw/zinc/54/30/30/823543030.db2.gz JIRQBLRCPZYYQC-PSRBBBRCSA-N 1 0 384.568 4.193 20 0 GIADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)C(C)(C)c2ccc(Br)cc2)C1 ZINC000060567247 823543170 /nfs/dbraw/zinc/54/31/70/823543170.db2.gz COJAXFYWNNOWID-MRXNPFEDSA-N 1 0 395.385 4.355 20 0 GIADRO CC(C)c1cc(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)c2cnn(C(C)C)c2n1 ZINC000060566965 823543208 /nfs/dbraw/zinc/54/32/08/823543208.db2.gz IKSBLDXBPZSWKQ-GOSISDBHSA-N 1 0 399.583 4.378 20 0 GIADRO C[C@H](C(=O)Nc1ccc2ccccc2c1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000060569162 823543442 /nfs/dbraw/zinc/54/34/42/823543442.db2.gz OZROCLZKAJHZRY-LJQANCHMSA-N 1 0 379.548 4.365 20 0 GIADRO CCCCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cnnn3)cc2)cc1OC ZINC000177899289 823543600 /nfs/dbraw/zinc/54/36/00/823543600.db2.gz GVNKTKJEWAZWRG-DLBZAZTESA-N 1 0 395.507 4.262 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)c2ccc(OCc3ccccn3)cc2)[NH+](C)C)cc1 ZINC000460925686 823543712 /nfs/dbraw/zinc/54/37/12/823543712.db2.gz OOVYNEHLBXNGQL-HSZRJFAPSA-N 1 0 389.499 4.002 20 0 GIADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CCC(C)(C)c3ccccc32)o1 ZINC000060574624 823543750 /nfs/dbraw/zinc/54/37/50/823543750.db2.gz LNSAJKMARKBKQK-NRFANRHFSA-N 1 0 383.536 4.474 20 0 GIADRO Cc1c([C@@H](C)[NH2+]Cc2cccnc2-n2cccn2)cnn1-c1cc(C)ccc1C ZINC000177902397 823543919 /nfs/dbraw/zinc/54/39/19/823543919.db2.gz VXDWVSYYICYJIQ-GOSISDBHSA-N 1 0 386.503 4.229 20 0 GIADRO C[NH+](C)CCN(CCCc1ccccc1)C(=O)[C@@H]1CCSc2ccccc21 ZINC000460930769 823544738 /nfs/dbraw/zinc/54/47/38/823544738.db2.gz SJPQHXURPZSGKK-OAQYLSRUSA-N 1 0 382.573 4.289 20 0 GIADRO O=C(NCc1cc2ccccc2[nH]1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000060585857 823545128 /nfs/dbraw/zinc/54/51/28/823545128.db2.gz RIADYCAVBSGMRZ-UHFFFAOYSA-N 1 0 398.510 4.349 20 0 GIADRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CC(=O)Nc3ccccc3)s2)cc1 ZINC000177910063 823545239 /nfs/dbraw/zinc/54/52/39/823545239.db2.gz XQBPRIRDDSNSBZ-AWEZNQCLSA-N 1 0 381.501 4.416 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2ccc(Br)cc2F)C1 ZINC000060590610 823545515 /nfs/dbraw/zinc/54/55/15/823545515.db2.gz RQUASVHUPKLGCZ-OKILXGFUSA-N 1 0 385.321 4.076 20 0 GIADRO CC[C@H]([NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(C)cc1 ZINC000177920343 823546557 /nfs/dbraw/zinc/54/65/57/823546557.db2.gz LJMRLGBOAHVJFB-YYDVJCTNSA-N 1 0 380.532 4.485 20 0 GIADRO O=C(Nc1cccc(Cl)c1Cl)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000123857963 823546565 /nfs/dbraw/zinc/54/65/65/823546565.db2.gz LXMKDCWWSMSBAV-UHFFFAOYSA-N 1 0 379.291 4.175 20 0 GIADRO O=C(CCc1nccs1)N(CCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000411103439 823546579 /nfs/dbraw/zinc/54/65/79/823546579.db2.gz PUQUGXCMOGEOJU-UHFFFAOYSA-N 1 0 377.941 4.248 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000177923854 823546939 /nfs/dbraw/zinc/54/69/39/823546939.db2.gz DFCLKPIOOTVTDX-CEXWTWQISA-N 1 0 396.531 4.186 20 0 GIADRO CC[C@@H]([NH2+][C@@H](C)c1ccc(NS(C)(=O)=O)cc1)c1ccccc1OC(F)F ZINC000177925482 823547160 /nfs/dbraw/zinc/54/71/60/823547160.db2.gz VMEYWEVLYQLSCC-SUMWQHHRSA-N 1 0 398.475 4.461 20 0 GIADRO C[C@@H]1CC(=O)CC[C@H]1C(=O)N(CCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000411105885 823547228 /nfs/dbraw/zinc/54/72/28/823547228.db2.gz YUNPUQGNDDNOGC-OXQOHEQNSA-N 1 0 376.928 4.164 20 0 GIADRO CC(C)(C)[N@@H+]1CCCN(C(=O)N[C@H]2CCCc3cc(OC(F)F)ccc32)CC1 ZINC000060603734 823547236 /nfs/dbraw/zinc/54/72/36/823547236.db2.gz BWOGEEUEZMESAU-SFHVURJKSA-N 1 0 395.494 4.181 20 0 GIADRO CCOc1ccc(NC(=O)C[NH2+][C@H](C)[C@@H](C)c2nc3ccccc3s2)cc1 ZINC000177927952 823547301 /nfs/dbraw/zinc/54/73/01/823547301.db2.gz QLKYZLOWZNXFOF-HUUCEWRRSA-N 1 0 383.517 4.415 20 0 GIADRO COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2ccc(Cn3ccccc3=O)cc2)cc1 ZINC000177931000 823547730 /nfs/dbraw/zinc/54/77/30/823547730.db2.gz GBBAKFMEWHOTJJ-MOPGFXCFSA-N 1 0 376.500 4.187 20 0 GIADRO Cc1cc(C(=O)N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)ccc1NC(=O)CC(C)C ZINC000460945543 823548091 /nfs/dbraw/zinc/54/80/91/823548091.db2.gz AZBKNVIDCHPMIB-ZJOUEHCJSA-N 1 0 399.579 4.457 20 0 GIADRO C[C@@H]([NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccc(N2CCOC2=O)cc1 ZINC000177937256 823548247 /nfs/dbraw/zinc/54/82/47/823548247.db2.gz HRWKORODTOTYNG-IVZQSRNASA-N 1 0 394.471 4.216 20 0 GIADRO Cc1nc2cc(NC(=O)NC3CC[NH+](Cc4ccccc4C)CC3)ccc2o1 ZINC000123877985 823548720 /nfs/dbraw/zinc/54/87/20/823548720.db2.gz NFLJMMIGWSJCQH-UHFFFAOYSA-N 1 0 378.476 4.231 20 0 GIADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2ncoc2-c2ccccc2Cl)C1 ZINC000460950443 823549190 /nfs/dbraw/zinc/54/91/90/823549190.db2.gz PYYLLCLEXOLIBO-OWCLPIDISA-N 1 0 387.911 4.472 20 0 GIADRO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000411154526 823552339 /nfs/dbraw/zinc/55/23/39/823552339.db2.gz LCBPVMXLAKYTOP-HNNXBMFYSA-N 1 0 397.466 4.190 20 0 GIADRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCSc2ccccc21 ZINC000460967618 823552673 /nfs/dbraw/zinc/55/26/73/823552673.db2.gz GEEDXQOVXDOHAT-OAQYLSRUSA-N 1 0 380.557 4.294 20 0 GIADRO CS(=O)(=O)c1cccc([C@H]([NH2+]C[C@H]2CC=CCC2)c2cc(F)ccc2F)c1 ZINC000123932249 823552747 /nfs/dbraw/zinc/55/27/47/823552747.db2.gz SNNMSYOGQPPSJI-BTYIYWSLSA-N 1 0 391.483 4.404 20 0 GIADRO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@H+](CCc1cncs1)CC2 ZINC000411159683 823552854 /nfs/dbraw/zinc/55/28/54/823552854.db2.gz VZUYUCDATNBUJH-JOCHJYFZSA-N 1 0 380.513 4.351 20 0 GIADRO CC[C@]1(CO)CCC[N@H+](Cc2cn(C(C)(C)C)nc2-c2cccc(OC)c2)C1 ZINC000190232498 823553610 /nfs/dbraw/zinc/55/36/10/823553610.db2.gz STVHSOOSFPRISI-QHCPKHFHSA-N 1 0 385.552 4.298 20 0 GIADRO CCN(CCC[NH+]1CCCC1)C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000190232767 823553619 /nfs/dbraw/zinc/55/36/19/823553619.db2.gz PMEUZDMEJCUDOZ-QGZVFWFLSA-N 1 0 389.437 4.337 20 0 GIADRO CC[C@@H](C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(F)cc1 ZINC000460973589 823553714 /nfs/dbraw/zinc/55/37/14/823553714.db2.gz NIMSQVMNOAVHIE-IEGUWTFLSA-N 1 0 398.522 4.245 20 0 GIADRO CC[C@H](C(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1)c1ccc(F)cc1 ZINC000460973588 823553725 /nfs/dbraw/zinc/55/37/25/823553725.db2.gz NIMSQVMNOAVHIE-BSRJHKFKSA-N 1 0 398.522 4.245 20 0 GIADRO FC(F)(F)COc1ccc(C[NH2+]CCc2nc(-c3ccccn3)cs2)cc1 ZINC000123947332 823554151 /nfs/dbraw/zinc/55/41/51/823554151.db2.gz UDNKVXWFXSXNAM-UHFFFAOYSA-N 1 0 393.434 4.479 20 0 GIADRO C[C@@H]1CCC[C@@](CNC(=O)c2ncoc2-c2ccccc2Cl)([NH+](C)C)C1 ZINC000460976441 823554258 /nfs/dbraw/zinc/55/42/58/823554258.db2.gz JGUWIMHQUOXEJQ-JLTOFOAXSA-N 1 0 375.900 4.235 20 0 GIADRO COc1ccc(C(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c(C)c1 ZINC000123948543 823554301 /nfs/dbraw/zinc/55/43/01/823554301.db2.gz CCUQFRLYWORWSN-FOIQADDNSA-N 1 0 390.886 4.219 20 0 GIADRO COc1ccc2cc(CN(C)C(=O)C3CC[NH+]([C@H]4CCSC4)CC3)ccc2c1 ZINC000411180803 823554850 /nfs/dbraw/zinc/55/48/50/823554850.db2.gz SMKSIDPSRRCVMT-NRFANRHFSA-N 1 0 398.572 4.024 20 0 GIADRO Cc1ccc(CNC(=O)C2CC[NH+]([C@H]3C[C@H]3c3cccc(F)c3)CC2)cc1F ZINC000411178854 823554923 /nfs/dbraw/zinc/55/49/23/823554923.db2.gz ZDLZORSZZARLOL-UNMCSNQZSA-N 1 0 384.470 4.158 20 0 GIADRO Brc1cccc(-c2nc(CNC3CC[NH+](C4CC4)CC3)cs2)c1 ZINC000123953540 823554964 /nfs/dbraw/zinc/55/49/64/823554964.db2.gz BAQIIJOTFKKZPC-UHFFFAOYSA-N 1 0 392.366 4.289 20 0 GIADRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@@H]1CCCc2c(O)cccc21 ZINC000190244745 823555130 /nfs/dbraw/zinc/55/51/30/823555130.db2.gz ZWMCKALCXAXFPK-HXUWFJFHSA-N 1 0 396.556 4.308 20 0 GIADRO Cc1nn(C)c2ncc(C[N@@H+]3CCCCC[C@H]3C[C@H](O)c3ccccc3)cc12 ZINC000123962273 823555724 /nfs/dbraw/zinc/55/57/24/823555724.db2.gz MNWYURWGMJTRNB-UNMCSNQZSA-N 1 0 378.520 4.145 20 0 GIADRO Cc1cc(C)c(Br)c(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)c1 ZINC000460983978 823555742 /nfs/dbraw/zinc/55/57/42/823555742.db2.gz VBFCKOZRKFZDSX-MRXNPFEDSA-N 1 0 381.358 4.450 20 0 GIADRO O=C(C[C@@H](c1ccc(O)cc1)C1CC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000411196517 823556421 /nfs/dbraw/zinc/55/64/21/823556421.db2.gz UYVUVQONKBEWJW-HSZRJFAPSA-N 1 0 378.516 4.057 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)ccc1OC(F)F ZINC000123989097 823558070 /nfs/dbraw/zinc/55/80/70/823558070.db2.gz MDSQUROTRCXZBR-CZUORRHYSA-N 1 0 390.430 4.032 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccccc1OC)c1cccc(OC)c1 ZINC000411219096 823558145 /nfs/dbraw/zinc/55/81/45/823558145.db2.gz CSXXUHXCUVQIFO-BHDDXSALSA-N 1 0 396.531 4.007 20 0 GIADRO CC[NH2+]Cc1cccc(NC(=O)Cc2ccc(NC(=O)CC(C)(C)C)cc2)c1 ZINC000123994113 823558399 /nfs/dbraw/zinc/55/83/99/823558399.db2.gz PTUVLSJMMGWBRP-UHFFFAOYSA-N 1 0 381.520 4.352 20 0 GIADRO COc1ccc(C[NH2+]CCc2ccc(F)c(F)c2)cc1OCc1cccnc1 ZINC000190281634 823558847 /nfs/dbraw/zinc/55/88/47/823558847.db2.gz JRVAHKFXSDOSEQ-UHFFFAOYSA-N 1 0 384.426 4.280 20 0 GIADRO COc1cc(C[NH2+]C[C@@H]2CCCO2)ccc1OCCOc1ccccc1Cl ZINC000060806367 823559034 /nfs/dbraw/zinc/55/90/34/823559034.db2.gz OBIQWZFCDHBJKP-KRWDZBQOSA-N 1 0 391.895 4.075 20 0 GIADRO CCN(c1nnc(C)n1Cc1cccs1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000461013954 823559151 /nfs/dbraw/zinc/55/91/51/823559151.db2.gz ILYKVNZBWMJHTC-XLIONFOSSA-N 1 0 395.576 4.358 20 0 GIADRO Fc1ccc(Br)cc1CNC1CC[NH+](Cc2ccccc2)CC1 ZINC000060815057 823559357 /nfs/dbraw/zinc/55/93/57/823559357.db2.gz JFLKMKLXIZAEJX-UHFFFAOYSA-N 1 0 377.301 4.342 20 0 GIADRO OC1CCC([NH2+]Cc2ccc(OCc3ccccc3)c(Br)c2)CC1 ZINC000060815554 823559356 /nfs/dbraw/zinc/55/93/56/823559356.db2.gz AUOJSSPUMHXVHW-UHFFFAOYSA-N 1 0 390.321 4.421 20 0 GIADRO Cc1ccc2ncc(C[NH+]3CCC(n4cc(Br)cn4)CC3)cc2c1 ZINC000411250760 823560273 /nfs/dbraw/zinc/56/02/73/823560273.db2.gz GARKZCMDQQHTGW-UHFFFAOYSA-N 1 0 385.309 4.339 20 0 GIADRO COc1ccc(CNC(=S)NCc2cccc(C[NH+]3CCCCCC3)c2)cc1 ZINC000060827196 823560407 /nfs/dbraw/zinc/56/04/07/823560407.db2.gz QWGRRWDRUSHNNV-UHFFFAOYSA-N 1 0 397.588 4.236 20 0 GIADRO O=C(N[C@@H](c1ccc(Cl)cc1)C1CC1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000411269299 823561259 /nfs/dbraw/zinc/56/12/59/823561259.db2.gz NRJGXXUBLUZVLE-RBUKOAKNSA-N 1 0 378.969 4.125 20 0 GIADRO O=C(N[C@H](Cc1ccccc1)c1ccccc1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000411274805 823561457 /nfs/dbraw/zinc/56/14/57/823561457.db2.gz XMMRJZOQBONMOK-DHIUTWEWSA-N 1 0 394.584 4.304 20 0 GIADRO O=C(N[C@@H](Cc1ccccc1)c1ccccc1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000411274809 823561478 /nfs/dbraw/zinc/56/14/78/823561478.db2.gz XMMRJZOQBONMOK-PKTZIBPZSA-N 1 0 394.584 4.304 20 0 GIADRO Cc1nc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)c(Br)s1 ZINC000411272441 823561484 /nfs/dbraw/zinc/56/14/84/823561484.db2.gz STEIIMRGZQYIEX-UHFFFAOYSA-N 1 0 380.311 4.062 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccccc2NC(=O)c2cccs2)C1 ZINC000060845336 823561629 /nfs/dbraw/zinc/56/16/29/823561629.db2.gz AUSJSHPFOHDYHN-CALCHBBNSA-N 1 0 399.560 4.098 20 0 GIADRO Cc1ccc(C[NH2+]Cc2ccc(OC(F)(F)F)cc2)c(-n2cc(Cl)cn2)n1 ZINC000190312191 823561772 /nfs/dbraw/zinc/56/17/72/823561772.db2.gz RVIBZKRGLKBHQN-UHFFFAOYSA-N 1 0 396.800 4.418 20 0 GIADRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1 ZINC000461028472 823561784 /nfs/dbraw/zinc/56/17/84/823561784.db2.gz OQYZALACCHWJSU-GFCCVEGCSA-N 1 0 397.306 4.034 20 0 GIADRO C[C@@](CO)([NH2+]Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1)C1CCCCC1 ZINC000411279691 823562114 /nfs/dbraw/zinc/56/21/14/823562114.db2.gz CBOCREKUCCJJMS-QFIPXVFZSA-N 1 0 397.544 4.485 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CC2CCC3(CC2)OCCO3)cc1Br ZINC000190319154 823562284 /nfs/dbraw/zinc/56/22/84/823562284.db2.gz HRLXFGHMFJLWMU-CYBMUJFWSA-N 1 0 384.314 4.042 20 0 GIADRO Cc1ccccc1[C@H](NC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(C)c1)C(C)(C)C ZINC000411288429 823562413 /nfs/dbraw/zinc/56/24/13/823562413.db2.gz DDFZEOLEJPUXNH-NRFANRHFSA-N 1 0 395.547 4.207 20 0 GIADRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000461036484 823563044 /nfs/dbraw/zinc/56/30/44/823563044.db2.gz DXIIYOQAJUCVOK-CQSZACIVSA-N 1 0 395.425 4.351 20 0 GIADRO Cc1nc2sc(-c3ccccc3)cc2c(Nc2cnn(CC[NH+](C)C)c2)n1 ZINC000060864545 823563185 /nfs/dbraw/zinc/56/31/85/823563185.db2.gz MPIROUAOHAWCAD-UHFFFAOYSA-N 1 0 378.505 4.168 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)C2CC[NH+](Cc3ccc([C@@H]4C[C@H]4C)o3)CC2)c1 ZINC000124055427 823563640 /nfs/dbraw/zinc/56/36/40/823563640.db2.gz YHBISCSLXVYQIQ-QVKFZJNVSA-N 1 0 395.503 4.212 20 0 GIADRO Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C[N@@H+]1CCC[C@H]1CC(C)(C)C ZINC000060877264 823564187 /nfs/dbraw/zinc/56/41/87/823564187.db2.gz HJEQASZEHVCFRN-NRFANRHFSA-N 1 0 396.579 4.065 20 0 GIADRO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C[N@H+](CC(N)=O)C(C)(C)C ZINC000411331432 823564874 /nfs/dbraw/zinc/56/48/74/823564874.db2.gz YLJPMSIGSHGDGM-UHFFFAOYSA-N 1 0 385.455 4.223 20 0 GIADRO CCC[N@H+](C[C@H]1CCCCO1)[C@@H](C)C(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000411362867 823566510 /nfs/dbraw/zinc/56/65/10/823566510.db2.gz CCFHFIHBGLFNQE-PZJWPPBQSA-N 1 0 398.551 4.097 20 0 GIADRO Cc1cc(C[NH2+]C[C@](C)(O)c2ccsc2)cc(C)c1OCc1ccccn1 ZINC000124087914 823566502 /nfs/dbraw/zinc/56/65/02/823566502.db2.gz MNFXJVHBICBMJK-QFIPXVFZSA-N 1 0 382.529 4.336 20 0 GIADRO Cc1c(F)cccc1NC(=O)CC[NH2+]C1(c2ccc(Cl)cc2)CCOCC1 ZINC000411368891 823566871 /nfs/dbraw/zinc/56/68/71/823566871.db2.gz PASNZXRHUDHFNP-UHFFFAOYSA-N 1 0 390.886 4.412 20 0 GIADRO O=C(CC[NH2+]C1(c2ccc(F)cc2)CCOCC1)Nc1ccc(Cl)cc1 ZINC000411372097 823567071 /nfs/dbraw/zinc/56/70/71/823567071.db2.gz ZVDIUUVBGZWUBF-UHFFFAOYSA-N 1 0 376.859 4.103 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCCc2ccc(F)cc2)C1 ZINC000060938573 823568124 /nfs/dbraw/zinc/56/81/24/823568124.db2.gz UFMQYGFRUPPTNQ-GOSISDBHSA-N 1 0 383.511 4.100 20 0 GIADRO C[NH+]1CCC(N(c2ccccc2)S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000190384936 823568309 /nfs/dbraw/zinc/56/83/09/823568309.db2.gz KHRQZHCEKLFWHM-UHFFFAOYSA-N 1 0 399.343 4.283 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CN[C@H](C)c1nc(Cc2ccc(F)cc2)no1 ZINC000124111112 823568374 /nfs/dbraw/zinc/56/83/74/823568374.db2.gz UWGSJSOCNLPXFI-QGZVFWFLSA-N 1 0 396.510 4.492 20 0 GIADRO COc1cccc(C[NH2+]C[C@H](O)c2ccc(OC(F)(F)F)cc2)c1OC(C)C ZINC000060953103 823569118 /nfs/dbraw/zinc/56/91/18/823569118.db2.gz FLQJTDAOUZOEFK-KRWDZBQOSA-N 1 0 399.409 4.204 20 0 GIADRO O=C(CC[NH2+]C1(CCO)CCCCC1)N[C@H](c1cccs1)c1ccccc1 ZINC000411391518 823569230 /nfs/dbraw/zinc/56/92/30/823569230.db2.gz OQYOISFIUDXBJC-NRFANRHFSA-N 1 0 386.561 4.019 20 0 GIADRO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(-c4ncco4)cc3F)C2)nc1 ZINC000411395138 823569802 /nfs/dbraw/zinc/56/98/02/823569802.db2.gz VDVAAJMFWGYDSJ-SFHVURJKSA-N 1 0 394.450 4.035 20 0 GIADRO Cc1cc(NC(=O)NCC2CC[NH+](Cc3cccs3)CC2)n(C(C)(C)C)n1 ZINC000060974349 823570518 /nfs/dbraw/zinc/57/05/18/823570518.db2.gz GXUJYZQJUABHBU-UHFFFAOYSA-N 1 0 389.569 4.042 20 0 GIADRO CC(C)[N@H+](CCC(=O)Nc1ccc(Br)cc1F)Cc1cccnc1 ZINC000411405181 823570839 /nfs/dbraw/zinc/57/08/39/823570839.db2.gz BWBUFTINFHVENF-UHFFFAOYSA-N 1 0 394.288 4.222 20 0 GIADRO COCC[NH+]1CCC(NC(=O)Nc2cc(C)ccc2Oc2ccccc2)CC1 ZINC000124143829 823571549 /nfs/dbraw/zinc/57/15/49/823571549.db2.gz VVZVZEIWCCPFPU-UHFFFAOYSA-N 1 0 383.492 4.020 20 0 GIADRO O=C(C[C@@H](Cc1ccccc1)c1ccccc1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000461080730 823572236 /nfs/dbraw/zinc/57/22/36/823572236.db2.gz DBHLJDRICRVEDW-RPWUZVMVSA-N 1 0 376.544 4.490 20 0 GIADRO CC[NH2+]Cc1ccc(OCCOc2cccc(Br)c2)c(OC)c1 ZINC000061003238 823572343 /nfs/dbraw/zinc/57/23/43/823572343.db2.gz DJOQJILFUVEZAG-UHFFFAOYSA-N 1 0 380.282 4.025 20 0 GIADRO CN1CC[N@H+](CCC(=O)Nc2ccccc2C(F)(F)F)[C@H](c2ccccc2)C1 ZINC000411425245 823572710 /nfs/dbraw/zinc/57/27/10/823572710.db2.gz XIMHHKQIWFUSRS-IBGZPJMESA-N 1 0 391.437 4.023 20 0 GIADRO O=S1(=O)CCCN1c1ccc(C[NH2+][C@H]2CCC[C@H]2CCc2ccccc2)cc1 ZINC000461082562 823572741 /nfs/dbraw/zinc/57/27/41/823572741.db2.gz ICFLUXXGQIFJJH-GMAHTHKFSA-N 1 0 398.572 4.118 20 0 GIADRO CN1CC[N@H+](CCC(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2ccccc2)C1 ZINC000411425256 823572772 /nfs/dbraw/zinc/57/27/72/823572772.db2.gz XIMHHKQIWFUSRS-LJQANCHMSA-N 1 0 391.437 4.023 20 0 GIADRO CC(C)(O)C(C)(C)[NH2+]Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1 ZINC000411428163 823573190 /nfs/dbraw/zinc/57/31/90/823573190.db2.gz KEMCWQCCZMKEPY-UHFFFAOYSA-N 1 0 391.924 4.356 20 0 GIADRO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1C(F)(F)F ZINC000411428337 823573195 /nfs/dbraw/zinc/57/31/95/823573195.db2.gz SGCIGNZXGLSOBZ-MRXNPFEDSA-N 1 0 380.414 4.211 20 0 GIADRO c1ccc(OCc2cccnc2)c(C[NH2+]Cc2ccc(N3CCCCC3)nc2)c1 ZINC000061018017 823573288 /nfs/dbraw/zinc/57/32/88/823573288.db2.gz MQXBQTSJTDVIJS-UHFFFAOYSA-N 1 0 388.515 4.336 20 0 GIADRO CC[C@@H](c1ccncc1)[N@H+](C)CCC(=O)Nc1ccc(Br)cc1 ZINC000411431541 823573590 /nfs/dbraw/zinc/57/35/90/823573590.db2.gz TVMJAXNBGQKSPC-KRWDZBQOSA-N 1 0 376.298 4.256 20 0 GIADRO Cc1cc(=NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)[nH]n1C1CCCCC1 ZINC000461085536 823573664 /nfs/dbraw/zinc/57/36/64/823573664.db2.gz KEDCXVXWSUOSDR-UHFFFAOYSA-N 1 0 380.536 4.357 20 0 GIADRO CCSc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)cc1 ZINC000461086339 823573829 /nfs/dbraw/zinc/57/38/29/823573829.db2.gz XFENSVRQTYXPES-MRXNPFEDSA-N 1 0 390.574 4.189 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]2CCCc3c(O)cccc32)CC1 ZINC000190441439 823574550 /nfs/dbraw/zinc/57/45/50/823574550.db2.gz QRGMZRGDGKRNMW-HTAPYJJXSA-N 1 0 378.516 4.154 20 0 GIADRO C[C@H]([NH2+]CCC(=O)N(C)c1ccccc1)c1cccc(OCc2ccccn2)c1 ZINC000411443341 823574596 /nfs/dbraw/zinc/57/45/96/823574596.db2.gz ICDGJTLIVFDYED-IBGZPJMESA-N 1 0 389.499 4.364 20 0 GIADRO COc1ccc([C@@H](Cc2ccccc2)NC(=O)C2CC[NH+](C(C)C)CC2)cc1 ZINC000461089676 823574769 /nfs/dbraw/zinc/57/47/69/823574769.db2.gz OLVSHBWMCCOCJF-HSZRJFAPSA-N 1 0 380.532 4.216 20 0 GIADRO COc1ccc(OC)c([C@H]2CCCN2C(=O)C[N@@H+]2CCC[C@@H]2CC(C)(C)C)c1 ZINC000061039973 823575039 /nfs/dbraw/zinc/57/50/39/823575039.db2.gz VVHPQLXXTUNJJS-YLJYHZDGSA-N 1 0 388.552 4.268 20 0 GIADRO CC[C@@H]([NH2+][C@@H](Cc1c[nH]c2ccccc12)C(=O)NC)c1cccc(Cl)c1F ZINC000461094016 823575534 /nfs/dbraw/zinc/57/55/34/823575534.db2.gz SSISRENXWINYAX-MJGOQNOKSA-N 1 0 387.886 4.358 20 0 GIADRO COc1ccc2c(c1)CCC[C@@H]2C[NH2+][C@H](C)CC(=O)Nc1cccnc1Cl ZINC000124185500 823575600 /nfs/dbraw/zinc/57/56/00/823575600.db2.gz NRDUJUVCLWPPLL-GDBMZVCRSA-N 1 0 387.911 4.170 20 0 GIADRO COc1cc(C)c([C@@H](C)[NH2+]CCC(=O)Nc2ccc(Cl)cc2F)cc1OC ZINC000411453555 823576429 /nfs/dbraw/zinc/57/64/29/823576429.db2.gz XSQGZHFKIVLSSG-CYBMUJFWSA-N 1 0 394.874 4.484 20 0 GIADRO COCCSc1ccc([C@H](C)[NH2+]CCC(=O)Nc2cccc(F)c2)cc1 ZINC000411454027 823576470 /nfs/dbraw/zinc/57/64/70/823576470.db2.gz AESIMLITXYDPBW-HNNXBMFYSA-N 1 0 376.497 4.244 20 0 GIADRO COc1ccc2c(c1)CCC[C@H]2C[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000124196661 823576570 /nfs/dbraw/zinc/57/65/70/823576570.db2.gz RYVCNPOYUGVBIY-APWZRJJASA-N 1 0 380.488 4.423 20 0 GIADRO COc1ccc(NC(=O)CC[NH2+][C@H](c2ccccc2)[C@H]2CCOC2)cc1Cl ZINC000411455093 823576604 /nfs/dbraw/zinc/57/66/04/823576604.db2.gz DPWLMSGORIPJQX-HRAATJIYSA-N 1 0 388.895 4.045 20 0 GIADRO COc1ccc(NC(=O)CC[NH2+][C@@H](c2ccccc2)[C@@H]2CCOC2)cc1Cl ZINC000411455096 823576636 /nfs/dbraw/zinc/57/66/36/823576636.db2.gz DPWLMSGORIPJQX-IERDGZPVSA-N 1 0 388.895 4.045 20 0 GIADRO COc1cc(NC(=O)CC[NH2+][C@H](C)c2c(F)cccc2F)c(OC)cc1Cl ZINC000411455357 823576641 /nfs/dbraw/zinc/57/66/41/823576641.db2.gz ZZRMCWFYCOJXOP-LLVKDONJSA-N 1 0 398.837 4.315 20 0 GIADRO CO[C@]1(C[NH2+][C@H](c2ccc(Cl)cc2)c2ccc(OC(F)F)cc2)CCOC1 ZINC000461098593 823576800 /nfs/dbraw/zinc/57/68/00/823576800.db2.gz AYFRCRQPNLNDKV-QUCCMNQESA-N 1 0 397.849 4.426 20 0 GIADRO COc1cccc(NC(=O)CC[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)c1 ZINC000411458362 823577028 /nfs/dbraw/zinc/57/70/28/823577028.db2.gz QFRDDTKLRJJDRQ-HNNXBMFYSA-N 1 0 396.466 4.008 20 0 GIADRO CC[C@H]([NH2+]CC(=O)NCc1ccc(OC)cc1)c1ccc2cc(OC)ccc2c1 ZINC000461099911 823577139 /nfs/dbraw/zinc/57/71/39/823577139.db2.gz GQAYHLDVVQMTHW-QHCPKHFHSA-N 1 0 392.499 4.214 20 0 GIADRO COc1ccc([C@@H](CNC(=O)NCc2sccc2C)[NH+]2CCCCC2)cc1 ZINC000061077227 823577345 /nfs/dbraw/zinc/57/73/45/823577345.db2.gz DXKXHRZPPYFWSD-LJQANCHMSA-N 1 0 387.549 4.092 20 0 GIADRO COc1ccc(C(C)(C)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000124208346 823577475 /nfs/dbraw/zinc/57/74/75/823577475.db2.gz ILRZUCPZOXMHEK-FRIKZZABSA-N 1 0 392.543 4.285 20 0 GIADRO COc1cc(F)c([C@H](C)[NH2+]CCC(=O)Nc2ccccc2Cl)cc1OC ZINC000411462186 823577501 /nfs/dbraw/zinc/57/75/01/823577501.db2.gz PLYBZOJHUBSNNK-LBPRGKRZSA-N 1 0 380.847 4.176 20 0 GIADRO Cc1ccc(-c2ocnc2C(=O)NCc2cccc(C[N@@H+](C)C(C)C)c2)cc1 ZINC000461103031 823577865 /nfs/dbraw/zinc/57/78/65/823577865.db2.gz QQLZCUHKWCJSSS-UHFFFAOYSA-N 1 0 377.488 4.420 20 0 GIADRO COc1ccc([C@H](CCO)[NH2+]Cc2ccc(Cl)c(Br)c2)cc1 ZINC000411464579 823577950 /nfs/dbraw/zinc/57/79/50/823577950.db2.gz URIDKFVDAIQIQB-KRWDZBQOSA-N 1 0 384.701 4.324 20 0 GIADRO O=C(C[NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1)Nc1nc(-c2cccs2)cs1 ZINC000411464823 823577985 /nfs/dbraw/zinc/57/79/85/823577985.db2.gz VOQZOXWTAZRJGX-BEFAXECRSA-N 1 0 399.541 4.178 20 0 GIADRO CCOc1ccccc1NC(=O)CC[NH2+][C@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000411465769 823578131 /nfs/dbraw/zinc/57/81/31/823578131.db2.gz XMHWNHUMXRSTMR-QHCPKHFHSA-N 1 0 398.503 4.172 20 0 GIADRO CC(C)(C)n1nccc1NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000190467275 823578257 /nfs/dbraw/zinc/57/82/57/823578257.db2.gz FRZQHFDUTFIACO-UHFFFAOYSA-N 1 0 389.931 4.078 20 0 GIADRO O=C(CC[NH2+][C@H](CCCO)c1ccccc1)Nc1cc(Cl)ccc1Cl ZINC000411468424 823578305 /nfs/dbraw/zinc/57/83/05/823578305.db2.gz BHIBFPSHMZAGMT-QGZVFWFLSA-N 1 0 381.303 4.425 20 0 GIADRO O=C(CC[NH2+]C1(c2ccccc2F)CC1)Nc1ccccc1Br ZINC000411470856 823578489 /nfs/dbraw/zinc/57/84/89/823578489.db2.gz PGDOXPPEUXFRQO-UHFFFAOYSA-N 1 0 377.257 4.196 20 0 GIADRO COc1ccc2c(c1)CCC[C@H]2C[NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000124218973 823578500 /nfs/dbraw/zinc/57/85/00/823578500.db2.gz OFBPFOIDSYMMBY-PBHICJAKSA-N 1 0 391.508 4.009 20 0 GIADRO COc1cccc(C2([NH2+]CC(=O)N(Cc3ccco3)Cc3ccccc3)CC2)c1 ZINC000411468871 823578577 /nfs/dbraw/zinc/57/85/77/823578577.db2.gz DQRQWEJKSLJBHV-UHFFFAOYSA-N 1 0 390.483 4.096 20 0 GIADRO CN(C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000461107757 823578965 /nfs/dbraw/zinc/57/89/65/823578965.db2.gz CUPXRTLKRFOUOU-MOPGFXCFSA-N 1 0 397.485 4.414 20 0 GIADRO O=C(CC[NH2+][C@@H](CCCO)c1ccccc1)Nc1c(Cl)cccc1Cl ZINC000411475113 823579104 /nfs/dbraw/zinc/57/91/04/823579104.db2.gz SBSOOAUOCLLPKT-KRWDZBQOSA-N 1 0 381.303 4.425 20 0 GIADRO CN(C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000461109261 823579138 /nfs/dbraw/zinc/57/91/38/823579138.db2.gz SFRKKXGHOXNCKN-PMPSAXMXSA-N 1 0 387.446 4.179 20 0 GIADRO COC[C@H]([NH2+]CCC(=O)Nc1c(Cl)cccc1Cl)c1ccc(F)cc1 ZINC000411475771 823579243 /nfs/dbraw/zinc/57/92/43/823579243.db2.gz OIVTXBDUBOYTSE-INIZCTEOSA-N 1 0 385.266 4.438 20 0 GIADRO COc1cc(Cl)c(F)c(C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000411476737 823579278 /nfs/dbraw/zinc/57/92/78/823579278.db2.gz QDTMTQUSVJHWPR-UHFFFAOYSA-N 1 0 390.886 4.191 20 0 GIADRO COC[C@H]([NH2+]CCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(F)cc1 ZINC000411478270 823579432 /nfs/dbraw/zinc/57/94/32/823579432.db2.gz UGWLJYOWGYIVQQ-KRWDZBQOSA-N 1 0 375.831 4.049 20 0 GIADRO OCC[C@H]([NH2+][C@@H]1CCCc2nc(-c3ccccc3F)sc21)C1CCOCC1 ZINC000461112780 823579942 /nfs/dbraw/zinc/57/99/42/823579942.db2.gz UWGMEGNBKKJORL-ZWKOTPCHSA-N 1 0 390.524 4.094 20 0 GIADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2[nH]c3ccccc3c2Br)C1 ZINC000124244977 823580499 /nfs/dbraw/zinc/58/04/99/823580499.db2.gz QXWFWFWAEZXPIG-CQSZACIVSA-N 1 0 392.341 4.028 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N[C@H]1CCSc2ccccc21 ZINC000061141283 823580552 /nfs/dbraw/zinc/58/05/52/823580552.db2.gz CMMKTHDOOOPOJU-FQEVSTJZSA-N 1 0 381.545 4.319 20 0 GIADRO CCc1ccc([C@H](CNC(=O)N[C@H]2CCSc3ccccc32)[NH+](C)C)cc1 ZINC000061141010 823580608 /nfs/dbraw/zinc/58/06/08/823580608.db2.gz NFUDPLQJCXKZBN-PMACEKPBSA-N 1 0 383.561 4.388 20 0 GIADRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N[C@H]1CCSc2ccccc21 ZINC000061141048 823580634 /nfs/dbraw/zinc/58/06/34/823580634.db2.gz XATTZXJUZDRECO-VQTJNVASSA-N 1 0 381.545 4.360 20 0 GIADRO CN(C[C@H]1CC[N@H+](C)C1)C(=O)C1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC000461117301 823580676 /nfs/dbraw/zinc/58/06/76/823580676.db2.gz SDVCNNVLZTYALL-INIZCTEOSA-N 1 0 382.470 4.317 20 0 GIADRO CC(=O)Nc1cccc(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)c1C ZINC000190502860 823581606 /nfs/dbraw/zinc/58/16/06/823581606.db2.gz HTJVFHIVIAXHMD-OAQYLSRUSA-N 1 0 399.922 4.174 20 0 GIADRO CC[C@@H](CNC(=O)Nc1cccc(OC(F)F)c1)[N@@H+]1CCc2ccccc2C1 ZINC000061164520 823581788 /nfs/dbraw/zinc/58/17/88/823581788.db2.gz VXHAZOIAVRWUDF-SFHVURJKSA-N 1 0 389.446 4.246 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000411500795 823581818 /nfs/dbraw/zinc/58/18/18/823581818.db2.gz IQNUFWNIJYJYET-LEWJYISDSA-N 1 0 386.898 4.363 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccnn1C(C)(C)C ZINC000190506571 823582049 /nfs/dbraw/zinc/58/20/49/823582049.db2.gz MGDIZGVRJVGETE-LJQANCHMSA-N 1 0 383.540 4.014 20 0 GIADRO C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]C[C@H]1CCN(CC(F)(F)F)C1 ZINC000124277862 823583318 /nfs/dbraw/zinc/58/33/18/823583318.db2.gz KBPHNDQAGWMHDN-DZGCQCFKSA-N 1 0 380.401 4.083 20 0 GIADRO C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]C[C@H]1CCN(CC(F)(F)F)C1 ZINC000124278048 823583376 /nfs/dbraw/zinc/58/33/76/823583376.db2.gz KBPHNDQAGWMHDN-UKRRQHHQSA-N 1 0 380.401 4.083 20 0 GIADRO CC[C@H]([NH2+]CCC(=O)Nc1ccccc1C(F)(F)F)c1c(C)nn(C)c1C ZINC000411520092 823584063 /nfs/dbraw/zinc/58/40/63/823584063.db2.gz UXTOQHDMKDURRF-HNNXBMFYSA-N 1 0 382.430 4.125 20 0 GIADRO COc1ccc(NC(=O)CC[NH2+]C2(c3nc(C)cs3)CCC2)cc1Cl ZINC000411522197 823584352 /nfs/dbraw/zinc/58/43/52/823584352.db2.gz VTHFNAJAWKRFIC-UHFFFAOYSA-N 1 0 379.913 4.111 20 0 GIADRO CC1CC[NH+](Cc2ccc(NC(=O)c3cnc(-c4ncccn4)s3)cc2)CC1 ZINC000124308739 823586083 /nfs/dbraw/zinc/58/60/83/823586083.db2.gz QVXMRYFTHNNYNC-UHFFFAOYSA-N 1 0 393.516 4.084 20 0 GIADRO C[C@H]([NH2+]CCC(=O)N1CCc2ccccc21)c1nc(-c2ccccc2)cs1 ZINC000411535664 823586096 /nfs/dbraw/zinc/58/60/96/823586096.db2.gz RSTWNHMJBLTGGC-INIZCTEOSA-N 1 0 377.513 4.440 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)NCc1nc2ccccc2s1)Cc1ccccc1 ZINC000061233038 823586143 /nfs/dbraw/zinc/58/61/43/823586143.db2.gz BXFBDUJZOKETGQ-GOSISDBHSA-N 1 0 396.560 4.049 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)C2(NC(=O)OC(C)(C)C)CC2)cc1 ZINC000124322876 823587211 /nfs/dbraw/zinc/58/72/11/823587211.db2.gz BFSNZSCPTDWPPA-MRXNPFEDSA-N 1 0 387.524 4.057 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)CCc2cnn(-c3ccccc3)c2)cc1 ZINC000190582908 823588238 /nfs/dbraw/zinc/58/82/38/823588238.db2.gz GLYJQDCAWZMBGU-UHFFFAOYSA-N 1 0 376.504 4.285 20 0 GIADRO O=C(CC[NH2+][C@@H]1CCCC[C@H]1n1cccn1)Nc1c(Cl)cccc1Cl ZINC000411564430 823588345 /nfs/dbraw/zinc/58/83/45/823588345.db2.gz VYQVYOSLWJELHG-HZPDHXFCSA-N 1 0 381.307 4.292 20 0 GIADRO O=C(CC[NH2+][C@H]1CCCC[C@H]1n1cccn1)Nc1ccccc1C(F)(F)F ZINC000411562085 823588401 /nfs/dbraw/zinc/58/84/01/823588401.db2.gz RTTIJONDVGHLJN-DLBZAZTESA-N 1 0 380.414 4.004 20 0 GIADRO FC(F)(F)CN1CC[C@H](C[NH2+][C@@H](c2ccc(Br)s2)C2CC2)C1 ZINC000190588757 823588782 /nfs/dbraw/zinc/58/87/82/823588782.db2.gz JZYKGNDTLXRPNO-QMTHXVAHSA-N 1 0 397.304 4.436 20 0 GIADRO C[C@@H](C(=O)Nc1ccccc1Sc1ccccc1)[N@H+](C)CCCn1ccnc1 ZINC000124341936 823588801 /nfs/dbraw/zinc/58/88/01/823588801.db2.gz ZOZZIRWWYJAKOB-SFHVURJKSA-N 1 0 394.544 4.383 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C[C@@H](c2ccc(O)cc2)C2CC2)C1 ZINC000411585481 823589367 /nfs/dbraw/zinc/58/93/67/823589367.db2.gz HGKXJMOSYBRHQO-ODOSVJCGSA-N 1 0 378.516 4.228 20 0 GIADRO COCCCOc1ccccc1NC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000411587737 823589568 /nfs/dbraw/zinc/58/95/68/823589568.db2.gz YASSDHIAMOCCOI-UHFFFAOYSA-N 1 0 382.504 4.340 20 0 GIADRO O=C(Cc1ccc(C(F)(F)F)cc1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000061286170 823589601 /nfs/dbraw/zinc/58/96/01/823589601.db2.gz LTIALXOVWANWNN-UHFFFAOYSA-N 1 0 394.462 4.435 20 0 GIADRO O=C(CSc1ccc(F)cc1F)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000061286292 823589647 /nfs/dbraw/zinc/58/96/47/823589647.db2.gz LKDQILVDUBDMDN-UHFFFAOYSA-N 1 0 394.512 4.244 20 0 GIADRO Cc1cccc(OCCC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)c1C ZINC000061288092 823589937 /nfs/dbraw/zinc/58/99/37/823589937.db2.gz XHWALDHUYLSPMH-UHFFFAOYSA-N 1 0 398.572 4.302 20 0 GIADRO COc1cc(NC(=O)CC[NH2+][C@@H](CC(F)(F)F)C(C)C)c(OC)cc1Cl ZINC000411605482 823590246 /nfs/dbraw/zinc/59/02/46/823590246.db2.gz IDRQDIKUVYXICI-ZDUSSCGKSA-N 1 0 396.837 4.252 20 0 GIADRO C[C@H]([NH2+]CCC(=O)Nc1cccc(F)c1)c1nc2ccccc2n1C(F)F ZINC000411609541 823590385 /nfs/dbraw/zinc/59/03/85/823590385.db2.gz HXUGFJHMJJTELC-LBPRGKRZSA-N 1 0 376.382 4.250 20 0 GIADRO CCOC(=O)c1ccc(NC(=O)NCc2ccccc2C[N@H+](C)C(C)C)cc1 ZINC000061306044 823590860 /nfs/dbraw/zinc/59/08/60/823590860.db2.gz UGXVKAUTKQCFJH-UHFFFAOYSA-N 1 0 383.492 4.025 20 0 GIADRO CCCCOC(=O)c1ccc(NC(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc1 ZINC000061308455 823590943 /nfs/dbraw/zinc/59/09/43/823590943.db2.gz RPFYIMWHATUGLN-GOSISDBHSA-N 1 0 389.521 4.129 20 0 GIADRO CCc1ccc(OCC(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)cc1 ZINC000061308680 823590986 /nfs/dbraw/zinc/59/09/86/823590986.db2.gz QHHRRFJGIKAPSJ-UHFFFAOYSA-N 1 0 384.545 4.124 20 0 GIADRO C[C@@H]1CN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)C[C@H](c2ccccc2)O1 ZINC000411621450 823591570 /nfs/dbraw/zinc/59/15/70/823591570.db2.gz QMLGDMBAYRJQPK-AUSIDOKSSA-N 1 0 378.516 4.275 20 0 GIADRO CCOc1cc(C[NH2+]CCCc2nc3ccccc3n2C)cc(Cl)c1OC ZINC000124381031 823591841 /nfs/dbraw/zinc/59/18/41/823591841.db2.gz BMOYTOBBOZHZJL-UHFFFAOYSA-N 1 0 387.911 4.356 20 0 GIADRO O=C(CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)Nc1c(Cl)cccc1Cl ZINC000411630938 823592315 /nfs/dbraw/zinc/59/23/15/823592315.db2.gz KYYZRFZKIBLZJB-RZAIGCCYSA-N 1 0 383.319 4.259 20 0 GIADRO Fc1ccc(C[N@H+](CCc2nc(-c3ccccc3)no2)C2CCOCC2)cc1 ZINC000411633559 823592484 /nfs/dbraw/zinc/59/24/84/823592484.db2.gz SGKXIQSJFBMVEY-UHFFFAOYSA-N 1 0 381.451 4.099 20 0 GIADRO CSc1ccccc1NC(=O)CC[NH2+][C@@H](Cc1nc(C)no1)c1ccccc1 ZINC000411632303 823592609 /nfs/dbraw/zinc/59/26/09/823592609.db2.gz FLIRFUQFZASXLU-SFHVURJKSA-N 1 0 396.516 4.002 20 0 GIADRO O=C(CC[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1)Nc1cc(F)cc(F)c1 ZINC000411650997 823594152 /nfs/dbraw/zinc/59/41/52/823594152.db2.gz RSMBOVVBYFAFKT-HKUYNNGSSA-N 1 0 380.822 4.067 20 0 GIADRO CCCCOc1ccc(CNC(=O)N2CC[C@@H](C[N@H+](C)CC)C2)cc1Cl ZINC000190641901 823594411 /nfs/dbraw/zinc/59/44/11/823594411.db2.gz YDZSZNCQBVUEJZ-KRWDZBQOSA-N 1 0 381.948 4.002 20 0 GIADRO CCCCOc1ccc(CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1Cl ZINC000190641822 823594486 /nfs/dbraw/zinc/59/44/86/823594486.db2.gz JHNXSMFPNFDOFB-NVXWUHKLSA-N 1 0 381.948 4.143 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCCSCc1ccccc1 ZINC000061386239 823594501 /nfs/dbraw/zinc/59/45/01/823594501.db2.gz DNHXQIFBTGWSJB-UHFFFAOYSA-N 1 0 385.577 4.259 20 0 GIADRO CCCCOc1ccc(CNC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cc1Cl ZINC000190644440 823594537 /nfs/dbraw/zinc/59/45/37/823594537.db2.gz ZZMNGHAMZQEJMV-KRWDZBQOSA-N 1 0 381.948 4.002 20 0 GIADRO O=C(CC[N@@H+]1CC[C@@H](OCc2ccncc2)C1)Nc1c(Cl)cccc1Cl ZINC000411660681 823595581 /nfs/dbraw/zinc/59/55/81/823595581.db2.gz BCUWOFVZUAZUHB-OAHLLOKOSA-N 1 0 394.302 4.008 20 0 GIADRO CCOc1ccccc1NC(=O)CC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@H]1O ZINC000411662985 823595812 /nfs/dbraw/zinc/59/58/12/823595812.db2.gz OUJFSDFKYPFZRT-FMWKFLBASA-N 1 0 388.552 4.066 20 0 GIADRO OC[C@@H](NCc1cccc(C[NH+]2CCCCC2)c1)c1cccc(Cl)c1F ZINC000411670563 823596100 /nfs/dbraw/zinc/59/61/00/823596100.db2.gz KYGTXNXUBRTCKL-HXUWFJFHSA-N 1 0 376.903 4.288 20 0 GIADRO O=C(CC[NH2+][C@]1(CO)CCCc2ccccc21)Nc1c(Cl)cccc1Cl ZINC000411671021 823596207 /nfs/dbraw/zinc/59/62/07/823596207.db2.gz HEVKUOMCZIBJAC-FQEVSTJZSA-N 1 0 393.314 4.136 20 0 GIADRO C[C@H]([NH2+]CCC(=O)Nc1ccc(Cl)cc1)c1ccc(Br)cn1 ZINC000411674009 823596307 /nfs/dbraw/zinc/59/63/07/823596307.db2.gz XXCIECBKWXEBIZ-NSHDSACASA-N 1 0 382.689 4.177 20 0 GIADRO CCN1CC[C@H]([NH2+]Cc2cc(-c3ccco3)on2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000411690361 823597358 /nfs/dbraw/zinc/59/73/58/823597358.db2.gz HLEDXJIMHGVPQS-JXFKEZNVSA-N 1 0 391.393 4.277 20 0 GIADRO CN1CC[C@H]([NH2+]CCC(=O)Nc2cc(Cl)ccc2Cl)[C@@H]1c1ccccc1 ZINC000411699865 823597794 /nfs/dbraw/zinc/59/77/94/823597794.db2.gz VVBPYEZJBKMLTD-PXNSSMCTSA-N 1 0 392.330 4.357 20 0 GIADRO O=C(CC[NH2+][C@@H](c1cncc(Br)c1)C1CC1)Nc1cccc(F)c1 ZINC000411701354 823597984 /nfs/dbraw/zinc/59/79/84/823597984.db2.gz OPORNLWDSQFTBC-GOSISDBHSA-N 1 0 392.272 4.053 20 0 GIADRO O=C(CC[NH2+][C@H](c1cncc(Br)c1)C1CC1)Nc1cccc(F)c1 ZINC000411701358 823598002 /nfs/dbraw/zinc/59/80/02/823598002.db2.gz OPORNLWDSQFTBC-SFHVURJKSA-N 1 0 392.272 4.053 20 0 GIADRO Cc1nc(CC(C)C)oc1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000190683990 823598272 /nfs/dbraw/zinc/59/82/72/823598272.db2.gz ZGDBQIASRPZVNG-RTWAWAEBSA-N 1 0 395.547 4.308 20 0 GIADRO OCC[C@@H]([NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccccc1 ZINC000124458296 823598419 /nfs/dbraw/zinc/59/84/19/823598419.db2.gz LFSITOWAFIBCPN-GOSISDBHSA-N 1 0 375.394 4.104 20 0 GIADRO COc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc(Cl)c1OCCC(C)C ZINC000124471914 823599628 /nfs/dbraw/zinc/59/96/28/823599628.db2.gz GUIKRWOSBUTNGI-DOTOQJQBSA-N 1 0 396.959 4.328 20 0 GIADRO CCS[C@@H]1CCC[C@@H]1[NH2+]CCC(=O)Nc1ccc(Br)cc1F ZINC000411718489 823599718 /nfs/dbraw/zinc/59/97/18/823599718.db2.gz JRYJAOZOPOWCAM-LSDHHAIUSA-N 1 0 389.334 4.181 20 0 GIADRO CN(Cc1ccco1)C(=O)C[NH2+][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000411722009 823599970 /nfs/dbraw/zinc/59/99/70/823599970.db2.gz UALQKFDUNSNJDO-ZWKOTPCHSA-N 1 0 380.410 4.183 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCc1c(Cl)cccc1OC ZINC000190703875 823600226 /nfs/dbraw/zinc/60/02/26/823600226.db2.gz PRJIRDHYFUQENB-UHFFFAOYSA-N 1 0 389.927 4.142 20 0 GIADRO Cc1ccc([C@H](CNC(=O)CSc2nc3ccccc3o2)[NH+]2CCCC2)cc1 ZINC000061503268 823600131 /nfs/dbraw/zinc/60/01/31/823600131.db2.gz KROXFCJWWDXITG-IBGZPJMESA-N 1 0 395.528 4.182 20 0 GIADRO COCCOc1ccccc1C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000061503485 823600231 /nfs/dbraw/zinc/60/02/31/823600231.db2.gz QCNYVRGKRYUFRO-UHFFFAOYSA-N 1 0 396.531 4.018 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)c1cc(-c2cccnc2)on1 ZINC000061503566 823600248 /nfs/dbraw/zinc/60/02/48/823600248.db2.gz JWYWMCTUQJMHPR-UHFFFAOYSA-N 1 0 390.487 4.043 20 0 GIADRO CC1(C)CN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)c2cccc(Cl)c21 ZINC000411743961 823601756 /nfs/dbraw/zinc/60/17/56/823601756.db2.gz JMMURIMHCLYEJN-HNNXBMFYSA-N 1 0 378.969 4.182 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)c2ccccc2OCc2ccc(F)cc2)CC1 ZINC000461230755 823601799 /nfs/dbraw/zinc/60/17/99/823601799.db2.gz UESFDMVTYQSGAC-UHFFFAOYSA-N 1 0 384.495 4.257 20 0 GIADRO Brc1ccc(C[NH2+]CCCOCC2CC2)cc1Br ZINC000124502663 823601999 /nfs/dbraw/zinc/60/19/99/823601999.db2.gz QVBAHZAEVJMNMJ-UHFFFAOYSA-N 1 0 377.120 4.118 20 0 GIADRO C[C@@H](C[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1)Oc1cccc(F)c1 ZINC000124509223 823602333 /nfs/dbraw/zinc/60/23/33/823602333.db2.gz OEVAMXGPRHIEGX-IRXDYDNUSA-N 1 0 383.467 4.256 20 0 GIADRO CN1CC[C@@H]([NH2+]CCC(=O)Nc2ccccc2Cl)[C@H]1c1ccc(Cl)cc1 ZINC000411750161 823602374 /nfs/dbraw/zinc/60/23/74/823602374.db2.gz QEMWFMBBQSVDSG-UYAOXDASSA-N 1 0 392.330 4.357 20 0 GIADRO CN1CC[C@H]([NH2+]Cc2ccc(Br)cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000411754530 823602619 /nfs/dbraw/zinc/60/26/19/823602619.db2.gz XWKDXVGDGVTMPM-IRXDYDNUSA-N 1 0 398.707 4.172 20 0 GIADRO COc1cc(Cl)c(F)c(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000411757387 823602763 /nfs/dbraw/zinc/60/27/63/823602763.db2.gz LFGCMBDCOCPTGQ-CYBMUJFWSA-N 1 0 396.915 4.191 20 0 GIADRO CC[NH+](CC)CCn1ccc2cc(NC(=O)Cc3cnccc3Cl)ccc21 ZINC000411759977 823603141 /nfs/dbraw/zinc/60/31/41/823603141.db2.gz QWYZFSDQZYWDNG-UHFFFAOYSA-N 1 0 384.911 4.213 20 0 GIADRO COc1cc(C[NH2+][C@@H](c2ccccc2)C(C)C)ccc1OCC(=O)N1CCCC1 ZINC000061557848 823603797 /nfs/dbraw/zinc/60/37/97/823603797.db2.gz ADQLUAKZNOWYOK-XMMPIXPASA-N 1 0 396.531 4.183 20 0 GIADRO CC(C)N(C)c1ccc(C[NH2+]Cc2ccc(COCC(F)(F)F)cc2)cn1 ZINC000190739902 823603815 /nfs/dbraw/zinc/60/38/15/823603815.db2.gz PMKCTTDXCWAHLC-UHFFFAOYSA-N 1 0 381.442 4.295 20 0 GIADRO CCOC(=O)C1(C(=O)c2ccccc2)CC[NH+]([C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000411771617 823603952 /nfs/dbraw/zinc/60/39/52/823603952.db2.gz HCKGUJICBAJKEQ-NHCUHLMSSA-N 1 0 377.484 4.071 20 0 GIADRO CC[NH2+]Cc1ccccc1NC(=O)c1nn(-c2ccccc2)cc1OCC(C)C ZINC000124529271 823603981 /nfs/dbraw/zinc/60/39/81/823603981.db2.gz ICLFTOFKMCZKNH-UHFFFAOYSA-N 1 0 392.503 4.269 20 0 GIADRO CCCc1nc(C)c(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)s1 ZINC000061567819 823604302 /nfs/dbraw/zinc/60/43/02/823604302.db2.gz ORCVLQQLXCZPPU-UHFFFAOYSA-N 1 0 377.579 4.108 20 0 GIADRO COc1ccc(CCCC(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000061566712 823604323 /nfs/dbraw/zinc/60/43/23/823604323.db2.gz MNLLFCWDSCNDFS-UHFFFAOYSA-N 1 0 386.561 4.108 20 0 GIADRO Cc1ccc(C)c(SCC(=O)NCC2CC[NH+](Cc3cccs3)CC2)c1 ZINC000061569203 823604450 /nfs/dbraw/zinc/60/44/50/823604450.db2.gz KGEYLTROPFUUFT-UHFFFAOYSA-N 1 0 388.602 4.485 20 0 GIADRO CCCN(C(=O)c1cccs1)C1CC[NH+](C[C@@H](O)CC2CCCC2)CC1 ZINC000190745812 823604553 /nfs/dbraw/zinc/60/45/53/823604553.db2.gz UWUQCOKVCHOEIN-IBGZPJMESA-N 1 0 378.582 4.006 20 0 GIADRO COc1cc(C[NH2+]Cc2ccc(N(C)C(C)C)nc2)ccc1OCC(F)(F)F ZINC000190747902 823604766 /nfs/dbraw/zinc/60/47/66/823604766.db2.gz MCZRDDRCZWBHRT-UHFFFAOYSA-N 1 0 397.441 4.166 20 0 GIADRO CCCN(C(=O)c1cccs1)C1CC[NH+](C[C@@H](O)C2CCCCC2)CC1 ZINC000190746133 823604776 /nfs/dbraw/zinc/60/47/76/823604776.db2.gz XBDINCYJXCCADY-LJQANCHMSA-N 1 0 378.582 4.006 20 0 GIADRO Oc1ccc(CC[NH2+]Cc2ccc(Br)c(Br)c2)cc1 ZINC000124540823 823604936 /nfs/dbraw/zinc/60/49/36/823604936.db2.gz HIEATLYIVMEYEV-UHFFFAOYSA-N 1 0 385.099 4.250 20 0 GIADRO O=C(c1ccoc1)N1CCC([NH2+][C@@H](c2cccc(Cl)c2)c2ccccn2)CC1 ZINC000124544944 823605071 /nfs/dbraw/zinc/60/50/71/823605071.db2.gz RNSLRMOSSIOWGT-NRFANRHFSA-N 1 0 395.890 4.312 20 0 GIADRO FC(F)(F)CN1CCC([NH2+][C@@H](c2cccc(Cl)c2)c2ccccn2)CC1 ZINC000124545370 823605251 /nfs/dbraw/zinc/60/52/51/823605251.db2.gz SZYBTXQVLVRNBS-SFHVURJKSA-N 1 0 383.845 4.441 20 0 GIADRO O=C(CC[NH2+][C@H]([C@@H](CO)C1CC1)C1CC1)Nc1ccccc1-c1ccccc1 ZINC000411795158 823605526 /nfs/dbraw/zinc/60/55/26/823605526.db2.gz URDDVQGUNOBIEQ-URXFXBBRSA-N 1 0 378.516 4.069 20 0 GIADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C1(c2ccc(Br)cc2)CCC1 ZINC000461255150 823605677 /nfs/dbraw/zinc/60/56/77/823605677.db2.gz BZYDQZRJMIZGHP-SFHVURJKSA-N 1 0 393.369 4.204 20 0 GIADRO CC[C@H](Cc1cccc(Br)c1)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000461256063 823605943 /nfs/dbraw/zinc/60/59/43/823605943.db2.gz GFPLDRQLHZKZRY-IEBWSBKVSA-N 1 0 395.385 4.351 20 0 GIADRO O=C(CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)Nc1ccccc1Oc1ccccc1 ZINC000411801848 823606060 /nfs/dbraw/zinc/60/60/60/823606060.db2.gz NKOCVBFLOWUNQM-SXSPYAJSSA-N 1 0 392.499 4.355 20 0 GIADRO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000411801818 823606137 /nfs/dbraw/zinc/60/61/37/823606137.db2.gz NHLQFVVQQPVHAK-INIZCTEOSA-N 1 0 392.393 4.339 20 0 GIADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000461257098 823606238 /nfs/dbraw/zinc/60/62/38/823606238.db2.gz LENQQXHPIKIQQS-SFHVURJKSA-N 1 0 389.927 4.260 20 0 GIADRO CC1CC[NH+](CCNC(=O)NCc2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000061619965 823606388 /nfs/dbraw/zinc/60/63/88/823606388.db2.gz ILXAKSCAUFNLFG-UHFFFAOYSA-N 1 0 398.532 4.087 20 0 GIADRO CC(C)(C)C(=O)N1CCC([NH2+][C@@H](c2cccc(Cl)c2)c2ccccn2)CC1 ZINC000124561025 823606587 /nfs/dbraw/zinc/60/65/87/823606587.db2.gz AWSLUTSDRKFQIK-FQEVSTJZSA-N 1 0 385.939 4.451 20 0 GIADRO C[NH+](C)CCn1cc(NC(=O)c2ccc(-c3nc4ccccc4s3)s2)cn1 ZINC000061635778 823606942 /nfs/dbraw/zinc/60/69/42/823606942.db2.gz BALDZGCTBJBISS-UHFFFAOYSA-N 1 0 397.529 4.035 20 0 GIADRO Cc1noc(Cl)c1CCC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000061634646 823606974 /nfs/dbraw/zinc/60/69/74/823606974.db2.gz JOQAEARTOOCRPR-UHFFFAOYSA-N 1 0 389.927 4.261 20 0 GIADRO Cc1ccc(-n2ncc(C(=O)N(C)CC[C@@H]3CCCC[N@@H+]3C)c2C(C)C)cc1 ZINC000461260077 823607071 /nfs/dbraw/zinc/60/70/71/823607071.db2.gz GMBAXTOYOROEFU-IBGZPJMESA-N 1 0 382.552 4.251 20 0 GIADRO CCN(CC)c1ccc(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)cc1 ZINC000061637072 823607119 /nfs/dbraw/zinc/60/71/19/823607119.db2.gz XMUBKVBDSDLLOU-UHFFFAOYSA-N 1 0 383.561 4.334 20 0 GIADRO CC(C)N(C)c1ccc(C[NH2+][C@H](C)c2ccc(NC(=O)NC3CC3)cc2)cn1 ZINC000190776244 823607510 /nfs/dbraw/zinc/60/75/10/823607510.db2.gz HARYSFYZQQRFOG-MRXNPFEDSA-N 1 0 381.524 4.061 20 0 GIADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1csc(-c2cccc(Cl)c2)n1 ZINC000461261882 823607600 /nfs/dbraw/zinc/60/76/00/823607600.db2.gz FKOYWELCYGDTFA-INIZCTEOSA-N 1 0 377.941 4.410 20 0 GIADRO CC[NH2+]Cc1ccccc1NC(=O)CCOc1ccc(C)cc1Br ZINC000124574716 823607788 /nfs/dbraw/zinc/60/77/88/823607788.db2.gz RHUBJWWTMPPBTP-UHFFFAOYSA-N 1 0 391.309 4.275 20 0 GIADRO O=C(Nc1ccc(F)cc1OC(F)F)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000461265813 823608858 /nfs/dbraw/zinc/60/88/58/823608858.db2.gz TTWRYZDIWQWXCH-CQSZACIVSA-N 1 0 396.384 4.417 20 0 GIADRO Brc1ccccc1-c1noc([C@H]2CCC[N@@H+]2CCc2cccnc2)n1 ZINC000190790696 823609431 /nfs/dbraw/zinc/60/94/31/823609431.db2.gz IALXTQSMWLMYMT-QGZVFWFLSA-N 1 0 399.292 4.274 20 0 GIADRO COc1cc(NC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)cc(OC)c1 ZINC000061734566 823610006 /nfs/dbraw/zinc/61/00/06/823610006.db2.gz LEFNYFOGQWZFSO-UHFFFAOYSA-N 1 0 397.519 4.402 20 0 GIADRO Cc1cc(-n2cccn2)ccc1NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000190808914 823611781 /nfs/dbraw/zinc/61/17/81/823611781.db2.gz RWUOLIIRVBQKGC-UHFFFAOYSA-N 1 0 389.503 4.098 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)c2nnc(CC(C)(C)C)n2Cc2cccs2)[C@@H](C)C1 ZINC000461299556 823613706 /nfs/dbraw/zinc/61/37/06/823613706.db2.gz ZLFHQQPTUFGJAJ-WMZOPIPTSA-N 1 0 389.613 4.143 20 0 GIADRO C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+](C)Cc1ccc(Br)cc1 ZINC000061781367 823613869 /nfs/dbraw/zinc/61/38/69/823613869.db2.gz IGPSGRKRKWPIFO-AWEZNQCLSA-N 1 0 393.300 4.067 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C[C@@H](c1ccc(O)cc1)C1CC1 ZINC000411930391 823614770 /nfs/dbraw/zinc/61/47/70/823614770.db2.gz GMMWBKDQQHXWPB-HSZRJFAPSA-N 1 0 380.532 4.386 20 0 GIADRO O=C(NCc1ccccc1Cl)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000061792703 823614902 /nfs/dbraw/zinc/61/49/02/823614902.db2.gz ICLZZWXVVRIYHW-UHFFFAOYSA-N 1 0 389.952 4.253 20 0 GIADRO O=C(CC[N@@H+]1C[C@H](O)C[C@@H]1c1ccccc1)Nc1c(Cl)cccc1Cl ZINC000411942302 823615428 /nfs/dbraw/zinc/61/54/28/823615428.db2.gz MCCITSLNBBTCRE-RHSMWYFYSA-N 1 0 379.287 4.130 20 0 GIADRO CCCCc1nnc(N2CCC[C@@H]([NH+]3CCCC3)CC2)n1Cc1cccs1 ZINC000461311084 823615455 /nfs/dbraw/zinc/61/54/55/823615455.db2.gz HGWJEPCIPZGABQ-GOSISDBHSA-N 1 0 387.597 4.185 20 0 GIADRO CC(C)(C)OC(=O)Nc1ccccc1C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000124670660 823615935 /nfs/dbraw/zinc/61/59/35/823615935.db2.gz SOSCARWMZDVLHB-KRWDZBQOSA-N 1 0 387.524 4.124 20 0 GIADRO CCOc1ccc(NC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1OC ZINC000124671211 823615955 /nfs/dbraw/zinc/61/59/55/823615955.db2.gz UXQPYVIXULVONG-LJQANCHMSA-N 1 0 383.492 4.053 20 0 GIADRO Cc1ccc2[nH]c([C@H]3CCCN3C(=O)NC[C@H](c3ccsc3)[NH+](C)C)nc2c1 ZINC000061863504 823616423 /nfs/dbraw/zinc/61/64/23/823616423.db2.gz MVSROCASDHSCIL-RTBURBONSA-N 1 0 397.548 4.082 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)CCCCc2ccc(Br)cc2)CC[N@@H+]1C ZINC000124678564 823616701 /nfs/dbraw/zinc/61/67/01/823616701.db2.gz ULWHVMFVZTZPKK-YJBOKZPZSA-N 1 0 381.358 4.103 20 0 GIADRO CO[C@@](C)([C@H](C)[NH2+]CC(=O)N(C)C(c1ccccc1)c1ccccc1)C1CC1 ZINC000411961388 823616757 /nfs/dbraw/zinc/61/67/57/823616757.db2.gz ZWGJVEDTPBFOBC-UUOWRZLLSA-N 1 0 380.532 4.028 20 0 GIADRO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000124686268 823617353 /nfs/dbraw/zinc/61/73/53/823617353.db2.gz LGUFGWCALQOPQF-HXUWFJFHSA-N 1 0 393.487 4.440 20 0 GIADRO Cc1cc(C)n(-c2ccc(C[N@@H+]3CC[C@]4(C3)CC(=O)c3ccccc3O4)cc2)n1 ZINC000411979002 823617686 /nfs/dbraw/zinc/61/76/86/823617686.db2.gz HTSCGNUWZSILRK-XMMPIXPASA-N 1 0 387.483 4.099 20 0 GIADRO Cc1ccsc1-c1nnc(N(C)[C@@H]2CC[N@@H+](C3CC3)C2)n1Cc1cccs1 ZINC000461330371 823618682 /nfs/dbraw/zinc/61/86/82/823618682.db2.gz HFLFYIZDFCQRGP-MRXNPFEDSA-N 1 0 399.589 4.098 20 0 GIADRO O=c1cc(C[N@@H+]2C[C@H](c3ccccc3)C3(CCC3)C2)nc2ccc(Cl)cn12 ZINC000411993811 823618906 /nfs/dbraw/zinc/61/89/06/823618906.db2.gz XVUOGWRIILXVKI-LJQANCHMSA-N 1 0 379.891 4.118 20 0 GIADRO C[C@H]([NH2+][C@@H](CO)[C@@H]1CCCOC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000411993482 823618975 /nfs/dbraw/zinc/61/89/75/823618975.db2.gz LLGYPZMKPBKQDH-RWSFTLGLSA-N 1 0 385.348 4.162 20 0 GIADRO Cc1cc(C)c(Br)c(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1 ZINC000461332585 823619009 /nfs/dbraw/zinc/61/90/09/823619009.db2.gz KZPZAWHBAVTIOB-MJGOQNOKSA-N 1 0 387.321 4.241 20 0 GIADRO C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000411995205 823619131 /nfs/dbraw/zinc/61/91/31/823619131.db2.gz CILIQVJEZJZXAS-MSYCTHLASA-N 1 0 390.527 4.206 20 0 GIADRO Cc1cc(C)c(Br)c(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000461335069 823619624 /nfs/dbraw/zinc/61/96/24/823619624.db2.gz YQZGMWAPLCGFME-CRAIPNDOSA-N 1 0 391.353 4.155 20 0 GIADRO Cc1cc(C)c(Br)c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000461335073 823619633 /nfs/dbraw/zinc/61/96/33/823619633.db2.gz YQZGMWAPLCGFME-MAUKXSAKSA-N 1 0 391.353 4.155 20 0 GIADRO CC[C@H](NC(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1)c1ccccc1OC(F)F ZINC000061957122 823619792 /nfs/dbraw/zinc/61/97/92/823619792.db2.gz MGUJUVLKNOUEEQ-INMHGKMJSA-N 1 0 383.483 4.159 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@H]2CCC[C@@H](C(=O)NC(C)C)C2)ccc1OC(F)F ZINC000124712922 823619902 /nfs/dbraw/zinc/61/99/02/823619902.db2.gz ZNZCPWBEVYAQRO-IMJJTQAJSA-N 1 0 384.467 4.031 20 0 GIADRO CC1(C)C[C@@H](C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c2ccccc2O1 ZINC000412000022 823620222 /nfs/dbraw/zinc/62/02/22/823620222.db2.gz CSKCBBQWCMAKCD-RBBKRZOGSA-N 1 0 392.543 4.012 20 0 GIADRO Cc1ccccc1CN(C)C(=O)[C@H](C)[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412000912 823620389 /nfs/dbraw/zinc/62/03/89/823620389.db2.gz PHPWBHGRQXFJMF-REWPJTCUSA-N 1 0 392.543 4.196 20 0 GIADRO CCN(CC)C(=O)[C@@H](c1ccccc1)[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412004071 823621139 /nfs/dbraw/zinc/62/11/39/823621139.db2.gz YAULTLKIIBHKQM-PKTZIBPZSA-N 1 0 392.543 4.450 20 0 GIADRO C[N@H+](CCCNC(=O)N[C@H](c1cccc(F)c1)c1ccccn1)C1CCCCC1 ZINC000124732034 823621644 /nfs/dbraw/zinc/62/16/44/823621644.db2.gz BVQPAVILFRDWRN-JOCHJYFZSA-N 1 0 398.526 4.264 20 0 GIADRO OCC1([C@H]([NH2+]CCc2c(F)cccc2Cl)c2ccccc2)CCOCC1 ZINC000412009024 823622077 /nfs/dbraw/zinc/62/20/77/823622077.db2.gz IRBLKSFIGATDFK-HXUWFJFHSA-N 1 0 377.887 4.142 20 0 GIADRO OCC1([C@@H]([NH2+]Cc2ccc(OC(F)(F)F)cc2)c2ccccc2)CCOCC1 ZINC000412010496 823622268 /nfs/dbraw/zinc/62/22/68/823622268.db2.gz QRLHDNRGOREPFI-IBGZPJMESA-N 1 0 395.421 4.205 20 0 GIADRO FC(F)(F)C(F)(F)COCC[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000412016343 823622938 /nfs/dbraw/zinc/62/29/38/823622938.db2.gz VHLLHRVCIIGLBT-OAHLLOKOSA-N 1 0 379.369 4.054 20 0 GIADRO CC[N@H+](CC(=O)Nc1c(F)cc(F)cc1Br)C1CC(C)(C)C1 ZINC000412035676 823623694 /nfs/dbraw/zinc/62/36/94/823623694.db2.gz LIXMEPVXXUXIDN-UHFFFAOYSA-N 1 0 375.257 4.176 20 0 GIADRO Cc1cc(C[N@@H+]2CCC[C@H](N3CCCC3=O)CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000412058216 823624730 /nfs/dbraw/zinc/62/47/30/823624730.db2.gz URTXFUDWQKSNDV-FQEVSTJZSA-N 1 0 398.938 4.082 20 0 GIADRO Cc1cc(C[N@@H+]2CCC[C@@H](N3CCCC3=O)CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000412058217 823624811 /nfs/dbraw/zinc/62/48/11/823624811.db2.gz URTXFUDWQKSNDV-HXUWFJFHSA-N 1 0 398.938 4.082 20 0 GIADRO CC(C)(C)OC(=O)CC[C@@H]1CCC[N@H+](Cc2cc(F)cc3c2OCOC3)C1 ZINC000412061483 823624970 /nfs/dbraw/zinc/62/49/70/823624970.db2.gz HRYWEXWDGMLPBY-HNNXBMFYSA-N 1 0 379.472 4.026 20 0 GIADRO CC(C)c1ccc(OCC(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000062231207 823625236 /nfs/dbraw/zinc/62/52/36/823625236.db2.gz QJKGZNNNKYMJFL-OAQYLSRUSA-N 1 0 380.532 4.217 20 0 GIADRO O=C(/C=C/c1ccc2ccccc2n1)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000062231368 823625279 /nfs/dbraw/zinc/62/52/79/823625279.db2.gz KNQMALVYISPBSW-IBUXMESJSA-N 1 0 385.511 4.276 20 0 GIADRO CC(C)COc1cccc(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000062231269 823625349 /nfs/dbraw/zinc/62/53/49/823625349.db2.gz QPRRXWZCFYAQEA-OAQYLSRUSA-N 1 0 380.532 4.363 20 0 GIADRO CC(C)n1ncc2cc(C[N@@H+]3CCC[C@H](CCC(=O)OC(C)(C)C)C3)cnc21 ZINC000412070575 823625531 /nfs/dbraw/zinc/62/55/31/823625531.db2.gz OVSNABGJYBRUTD-QGZVFWFLSA-N 1 0 386.540 4.346 20 0 GIADRO C[C@@H](CNC(=O)Nc1ccc(COCc2ccccc2)cc1)C[NH+]1CCCC1 ZINC000124780638 823625717 /nfs/dbraw/zinc/62/57/17/823625717.db2.gz YLEDSMPSFPSLIB-IBGZPJMESA-N 1 0 381.520 4.257 20 0 GIADRO Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC000412080550 823626007 /nfs/dbraw/zinc/62/60/07/823626007.db2.gz VTWDBEYKPVJPRI-RTBURBONSA-N 1 0 388.552 4.464 20 0 GIADRO Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H](CCC(=O)OC(C)(C)C)C3)o2)cc1 ZINC000412076621 823626059 /nfs/dbraw/zinc/62/60/59/823626059.db2.gz SPKSBDIUFBHALC-KRWDZBQOSA-N 1 0 385.508 4.379 20 0 GIADRO CC(C)(CC(F)F)C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000412105931 823626749 /nfs/dbraw/zinc/62/67/49/823626749.db2.gz BCDOQWXBRGHAOM-AWEZNQCLSA-N 1 0 378.385 4.077 20 0 GIADRO C[C@H]([NH2+]C1(CNC(=O)Cc2cccc(C3CC3)c2)CCOCC1)c1ccccc1 ZINC000412108001 823626897 /nfs/dbraw/zinc/62/68/97/823626897.db2.gz ADWIJAGSOKYWDU-IBGZPJMESA-N 1 0 392.543 4.123 20 0 GIADRO COc1ccccc1[C@H]1CCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000412123189 823628015 /nfs/dbraw/zinc/62/80/15/823628015.db2.gz LIZSHMIKYZUSJD-NRFANRHFSA-N 1 0 378.516 4.311 20 0 GIADRO COc1cc(Cl)c(F)c(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000412132285 823628875 /nfs/dbraw/zinc/62/88/75/823628875.db2.gz PTYFYLMEXUZUDO-SGTLLEGYSA-N 1 0 396.915 4.362 20 0 GIADRO CCc1ccc([C@@H](CNC(=O)c2cnn(CC(C)C)c2C(F)F)[NH+](C)C)cc1 ZINC000124828237 823629199 /nfs/dbraw/zinc/62/91/99/823629199.db2.gz DERHPJXGWDWDCG-GOSISDBHSA-N 1 0 392.494 4.072 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C[C@@H](c2ccc(O)cc2)C2CC2)C1 ZINC000412136346 823629257 /nfs/dbraw/zinc/62/92/57/823629257.db2.gz ZNVJTTWVQLWGDQ-SELNLUPBSA-N 1 0 384.564 4.389 20 0 GIADRO CO[C@@]1(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)CCOC1 ZINC000461398837 823629536 /nfs/dbraw/zinc/62/95/36/823629536.db2.gz HUVCBZWFICHCTO-JOCHJYFZSA-N 1 0 397.906 4.088 20 0 GIADRO O=C(Nc1ccc(OC2CCCC2)c(F)c1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412144976 823630113 /nfs/dbraw/zinc/63/01/13/823630113.db2.gz HWKVPOQDYLCCFL-QGZVFWFLSA-N 1 0 392.540 4.303 20 0 GIADRO c1ccc(-c2noc(C3CC[NH+](C[C@H]4CCC5(CCCCC5)O4)CC3)n2)nc1 ZINC000190956128 823630230 /nfs/dbraw/zinc/63/02/30/823630230.db2.gz OHTIWQXBUPEYSL-GOSISDBHSA-N 1 0 382.508 4.193 20 0 GIADRO CO[C@]1(C[NH2+]Cc2ccc(-c3ccc(Br)cc3)s2)CCOC1 ZINC000461408342 823630653 /nfs/dbraw/zinc/63/06/53/823630653.db2.gz NISITLALPGXBLS-KRWDZBQOSA-N 1 0 382.323 4.073 20 0 GIADRO Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)o1 ZINC000412155856 823631300 /nfs/dbraw/zinc/63/13/00/823631300.db2.gz KCSIJWGFTGFFFE-SNRMKQJTSA-N 1 0 376.566 4.105 20 0 GIADRO COCc1ccccc1NC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000062389791 823631951 /nfs/dbraw/zinc/63/19/51/823631951.db2.gz VAYOAZVUKYXXNN-UHFFFAOYSA-N 1 0 375.900 4.082 20 0 GIADRO CC(C)COc1cccc(NC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)c1 ZINC000062400537 823632845 /nfs/dbraw/zinc/63/28/45/823632845.db2.gz SZLOTQQDRFREJL-UHFFFAOYSA-N 1 0 387.499 4.456 20 0 GIADRO Cc1cc(C)c(N2CC[C@@H](NC3CC[NH+](C4CCCCC4)CC3)C2=O)c(C)c1 ZINC000190974401 823632988 /nfs/dbraw/zinc/63/29/88/823632988.db2.gz CIQGVDLBMAPYEK-JOCHJYFZSA-N 1 0 383.580 4.104 20 0 GIADRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)Nc1nnc(C(C)(C)C)s1 ZINC000062405412 823633402 /nfs/dbraw/zinc/63/34/02/823633402.db2.gz DJVMZEIRPURWJR-UHFFFAOYSA-N 1 0 395.960 4.085 20 0 GIADRO COc1ccc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1C1CC1 ZINC000461423563 823633408 /nfs/dbraw/zinc/63/34/08/823633408.db2.gz GELMAVZUOISYBC-FGZHOGPDSA-N 1 0 390.527 4.167 20 0 GIADRO Cc1cc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c2nccc(C)c2c1 ZINC000461424189 823633608 /nfs/dbraw/zinc/63/36/08/823633608.db2.gz HKLWWRUCHGMYHA-FGZHOGPDSA-N 1 0 399.538 4.446 20 0 GIADRO CC(C)(C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)c1ccc(F)cc1 ZINC000461425178 823633725 /nfs/dbraw/zinc/63/37/25/823633725.db2.gz CMQRUAMFAIEPEW-VQTJNVASSA-N 1 0 380.507 4.084 20 0 GIADRO CN(c1ccccc1)c1ccccc1C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000461424604 823633811 /nfs/dbraw/zinc/63/38/11/823633811.db2.gz HOCJWKLVYIMZJN-HXUWFJFHSA-N 1 0 377.532 4.403 20 0 GIADRO Cc1nc(-c2cccc(NC(=O)NC3CC[NH+](CC4CCCCC4)CC3)c2)no1 ZINC000062411516 823633939 /nfs/dbraw/zinc/63/39/39/823633939.db2.gz FKXDQGVAGLBJMH-UHFFFAOYSA-N 1 0 397.523 4.211 20 0 GIADRO C[C@H](OC1CCCCCC1)C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461429944 823635319 /nfs/dbraw/zinc/63/53/19/823635319.db2.gz PPGUACJQRNENCE-KSEOMHKRSA-N 1 0 384.564 4.095 20 0 GIADRO CC1CC[NH+](C2CCC(NC(=O)[C@H]3CC(C)(C)Oc4ccccc43)CC2)CC1 ZINC000412207046 823635653 /nfs/dbraw/zinc/63/56/53/823635653.db2.gz MWGWKDBFVRHBCP-GRERDSQWSA-N 1 0 384.564 4.491 20 0 GIADRO CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412205815 823635738 /nfs/dbraw/zinc/63/57/38/823635738.db2.gz ZKMXIDKBZZTGPI-VXKWHMMOSA-N 1 0 388.621 4.382 20 0 GIADRO O=C(CCSc1ccc(F)cc1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461432606 823635841 /nfs/dbraw/zinc/63/58/41/823635841.db2.gz OMXVHKBVWDMEML-PMACEKPBSA-N 1 0 398.547 4.288 20 0 GIADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H]2CC(C)(C)Oc3ccccc32)CC1 ZINC000412210222 823636090 /nfs/dbraw/zinc/63/60/90/823636090.db2.gz YYAHMJDGLMDMSU-LAUBAEHRSA-N 1 0 393.531 4.068 20 0 GIADRO O=C(c1ccn(Cc2ccccc2)c1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461434016 823636351 /nfs/dbraw/zinc/63/63/51/823636351.db2.gz XTLZRXGVAGVWSB-ILBGXUMGSA-N 1 0 399.538 4.131 20 0 GIADRO CCC(CC)n1nc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1C ZINC000461434300 823636482 /nfs/dbraw/zinc/63/64/82/823636482.db2.gz XWMCNTBNNGKUII-RTWAWAEBSA-N 1 0 394.563 4.147 20 0 GIADRO O=C([C@@H]1C[C@@H]1c1c(F)cccc1F)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461435927 823636974 /nfs/dbraw/zinc/63/69/74/823636974.db2.gz LQKPTQCEVTZOHR-LWYYNNOASA-N 1 0 396.481 4.049 20 0 GIADRO C[C@H](C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)c1ccc(F)c(F)c1 ZINC000461436017 823636989 /nfs/dbraw/zinc/63/69/89/823636989.db2.gz MNBXWYOCKZZJLZ-VDGAXYAQSA-N 1 0 384.470 4.049 20 0 GIADRO Cc1cc(OCCCC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)ccc1Cl ZINC000461436533 823637096 /nfs/dbraw/zinc/63/70/96/823637096.db2.gz CHLQJVVXSSYMGF-SFHVURJKSA-N 1 0 378.944 4.142 20 0 GIADRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)N[C@H](c1ccco1)c1ccccc1 ZINC000062476264 823637376 /nfs/dbraw/zinc/63/73/76/823637376.db2.gz YQWVDTBGQRBBFV-QFIPXVFZSA-N 1 0 395.478 4.282 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)Nc2cc(C)c(O)c(C)c2C)CC1 ZINC000191013661 823638247 /nfs/dbraw/zinc/63/82/47/823638247.db2.gz JEVZTZAGAWCDEK-UHFFFAOYSA-N 1 0 382.508 4.103 20 0 GIADRO COc1cc(C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2Cl)c2ccccc2n1 ZINC000124933986 823638378 /nfs/dbraw/zinc/63/83/78/823638378.db2.gz RVBRENXHZYAYDS-AWEZNQCLSA-N 1 0 393.878 4.328 20 0 GIADRO O=C(Nc1ncc(C2CCCCC2)s1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412238446 823638646 /nfs/dbraw/zinc/63/86/46/823638646.db2.gz ADPIPGGXWXGZLI-INIZCTEOSA-N 1 0 379.595 4.347 20 0 GIADRO CC(C)[NH+]1CCN(C(=O)Nc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000124940917 823638937 /nfs/dbraw/zinc/63/89/37/823638937.db2.gz DQAQJDTVRQZNTL-UHFFFAOYSA-N 1 0 394.235 4.026 20 0 GIADRO CCOC1CC(CC[NH2+][C@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)C1 ZINC000191024036 823639215 /nfs/dbraw/zinc/63/92/15/823639215.db2.gz XANBNJRTPKEVJT-PXLSRWGNSA-N 1 0 396.531 4.478 20 0 GIADRO O=C(c1ccc(OCC2CC2)cc1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461445329 823639275 /nfs/dbraw/zinc/63/92/75/823639275.db2.gz NIPKHFMXUHZZNY-XZOQPEGZSA-N 1 0 390.527 4.070 20 0 GIADRO Cc1ccccc1[C@H](C)CC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461450260 823640215 /nfs/dbraw/zinc/64/02/15/823640215.db2.gz PKAYBKSUTUNFRA-PUHATCMVSA-N 1 0 376.544 4.469 20 0 GIADRO Cc1nc(-c2ccccc2)sc1NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412254816 823640314 /nfs/dbraw/zinc/64/03/14/823640314.db2.gz YQUNUQAZPJPLNW-KRWDZBQOSA-N 1 0 387.574 4.275 20 0 GIADRO C[C@H](SCc1ccccc1)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461452567 823640500 /nfs/dbraw/zinc/64/05/00/823640500.db2.gz VOTSZHZXVYZRQG-AJSBUHFISA-N 1 0 394.584 4.289 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)C[C@H](c3ccc(O)cc3)C3CC3)c2)CC1 ZINC000412256741 823640501 /nfs/dbraw/zinc/64/05/01/823640501.db2.gz MKEVTQWIXNFDMQ-QHCPKHFHSA-N 1 0 393.531 4.057 20 0 GIADRO C[C@H]1CCC[N@H+](CCCCNC(=O)N2CC[C@H](C(F)(F)F)C(C)(C)C2)C1 ZINC000191035720 823640684 /nfs/dbraw/zinc/64/06/84/823640684.db2.gz MQWJYPGAODWBHN-HOTGVXAUSA-N 1 0 377.495 4.119 20 0 GIADRO Cc1cc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c(Cl)cc1F ZINC000461453187 823640779 /nfs/dbraw/zinc/64/07/79/823640779.db2.gz XBKYEBIOOBEUMZ-QZTJIDSGSA-N 1 0 386.898 4.382 20 0 GIADRO O=C(c1scnc1C1CCCC1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461454895 823641100 /nfs/dbraw/zinc/64/11/00/823641100.db2.gz IRDDXNJDPUPONH-UXHICEINSA-N 1 0 395.572 4.395 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)N2Cc3ccc(OC)cc3C3(CC3)C2)cc1)C1CC1 ZINC000461457812 823641829 /nfs/dbraw/zinc/64/18/29/823641829.db2.gz VWPXOVVAICIZHY-UHFFFAOYSA-N 1 0 390.527 4.367 20 0 GIADRO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461458466 823641895 /nfs/dbraw/zinc/64/18/95/823641895.db2.gz UIXYWWBLFQWYPH-BQJUDKOJSA-N 1 0 380.557 4.141 20 0 GIADRO Cc1csc2nc(C)nc(Sc3nnc([C@@H]4CCC[NH2+]C4)n3C(C)C)c12 ZINC000124984822 823642810 /nfs/dbraw/zinc/64/28/10/823642810.db2.gz IUZUXLFJRDMSFL-CYBMUJFWSA-N 1 0 388.566 4.099 20 0 GIADRO Cc1cc(C(F)(F)F)ccc1C[NH+]1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000191054214 823643085 /nfs/dbraw/zinc/64/30/85/823643085.db2.gz ZUZFOJMATRDKRF-HNNXBMFYSA-N 1 0 382.470 4.484 20 0 GIADRO CCN(Cc1c[nH]c2ccccc12)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000191054714 823643097 /nfs/dbraw/zinc/64/30/97/823643097.db2.gz XZLBKXRQSGVKJX-UHFFFAOYSA-N 1 0 390.531 4.364 20 0 GIADRO Cc1ccc(C2(CNC(=O)C3CC[NH+]([C@@H]4CCSC4)CC3)CCC2)cc1C ZINC000412290187 823643265 /nfs/dbraw/zinc/64/32/65/823643265.db2.gz OVLRBLBIXYPBCI-OAQYLSRUSA-N 1 0 386.605 4.059 20 0 GIADRO O=C(CCCc1ccc(O)c(F)c1)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000461468657 823643386 /nfs/dbraw/zinc/64/33/86/823643386.db2.gz NNHMNIDTPBQQPG-NRFANRHFSA-N 1 0 398.522 4.273 20 0 GIADRO CC(C)[C@H](C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000461469103 823643489 /nfs/dbraw/zinc/64/34/89/823643489.db2.gz UUIPBEPFQIZTBU-GMAHTHKFSA-N 1 0 379.548 4.240 20 0 GIADRO C[C@@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)c1ccc(Cl)cc1Cl ZINC000412292363 823643555 /nfs/dbraw/zinc/64/35/55/823643555.db2.gz MGILMHOKAMLFOL-IUODEOHRSA-N 1 0 387.376 4.388 20 0 GIADRO O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N1C[C@@H](c2ccccc2)c2ccccc21 ZINC000412296595 823643995 /nfs/dbraw/zinc/64/39/95/823643995.db2.gz VWPMOCJDIXEHLO-UNMCSNQZSA-N 1 0 392.568 4.383 20 0 GIADRO O=C(Nc1ncc(-c2ccc(F)cc2)s1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412299098 823644423 /nfs/dbraw/zinc/64/44/23/823644423.db2.gz HPSDPYXJEADAMC-MRXNPFEDSA-N 1 0 391.537 4.105 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+]CC(=O)Nc2c(C)nn(-c3ccccc3)c2C)C1(CC)CC ZINC000191071289 823645000 /nfs/dbraw/zinc/64/50/00/823645000.db2.gz SRFLJGIRKDGDIS-VQTJNVASSA-N 1 0 398.551 4.001 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=S)Nc3ccccc3F)CC2)cc1 ZINC000062700192 823645036 /nfs/dbraw/zinc/64/50/36/823645036.db2.gz LZKLEOSGEQYKFS-UHFFFAOYSA-N 1 0 387.524 4.033 20 0 GIADRO Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000125019181 823645526 /nfs/dbraw/zinc/64/55/26/823645526.db2.gz USDSWJKRUKNTME-QGZVFWFLSA-N 1 0 394.519 4.101 20 0 GIADRO C[C@@H](NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1cccc(O)c1 ZINC000191076921 823645636 /nfs/dbraw/zinc/64/56/36/823645636.db2.gz JWNLFDJPFSIOBW-UEXGIBASSA-N 1 0 381.520 4.148 20 0 GIADRO CC[C@H](C(=O)N1CCCCC[C@@H]1c1noc(-c2ccccc2)n1)[NH+](CC)CC ZINC000461485849 823646545 /nfs/dbraw/zinc/64/65/45/823646545.db2.gz ALPOGQUPNCFHJR-RTBURBONSA-N 1 0 384.524 4.301 20 0 GIADRO C[C@@]1(c2ccccc2)CCCN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC1 ZINC000412329021 823646941 /nfs/dbraw/zinc/64/69/41/823646941.db2.gz DIABEUPGJCTSAW-FYYLOGMGSA-N 1 0 386.605 4.174 20 0 GIADRO COc1ccc(OC)c([C@H](O)C[NH2+][C@H]2CCSc3c(Cl)cccc32)c1 ZINC000125045314 823647789 /nfs/dbraw/zinc/64/77/89/823647789.db2.gz XFEPRDIOCHEECT-DLBZAZTESA-N 1 0 379.909 4.217 20 0 GIADRO CC(C)[C@@H](CNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)c1ccc(Cl)cc1 ZINC000412339111 823648281 /nfs/dbraw/zinc/64/82/81/823648281.db2.gz OZSMWGGTVMZUFI-WOJBJXKFSA-N 1 0 395.012 4.413 20 0 GIADRO CC[C@@H](C(=O)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1)[NH+](CC)CC ZINC000461503826 823650145 /nfs/dbraw/zinc/65/01/45/823650145.db2.gz VULWBZFFDMJOCU-KRWDZBQOSA-N 1 0 390.915 4.001 20 0 GIADRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)C1(c2cccc(Cl)c2)CC1 ZINC000063080410 823650379 /nfs/dbraw/zinc/65/03/79/823650379.db2.gz XBUCQVSSYYJFKB-UHFFFAOYSA-N 1 0 382.935 4.400 20 0 GIADRO FC(F)(F)c1ccn(C2CC[NH+](CCCc3ccc4c(c3)CCO4)CC2)n1 ZINC000191114081 823650601 /nfs/dbraw/zinc/65/06/01/823650601.db2.gz BHPYFEBZXUZLNI-UHFFFAOYSA-N 1 0 379.426 4.107 20 0 GIADRO O=C(CCc1nc2ccccc2s1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000063081374 823650678 /nfs/dbraw/zinc/65/06/78/823650678.db2.gz SPPNDVOKLRHFRI-UHFFFAOYSA-N 1 0 393.556 4.257 20 0 GIADRO O=C(N[C@@H](c1ccc(F)c(Cl)c1)C1CC1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412382086 823651095 /nfs/dbraw/zinc/65/10/95/823651095.db2.gz LHDIFWSTFBCCCC-VQIMIIECSA-N 1 0 396.959 4.264 20 0 GIADRO CC[NH+](CC)CCSCC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccco1 ZINC000461509365 823651131 /nfs/dbraw/zinc/65/11/31/823651131.db2.gz AVIXJQGBAQTVFB-HXUWFJFHSA-N 1 0 399.560 4.341 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)c3ccccc3NCc3cccnc3)ccc21 ZINC000412383906 823651263 /nfs/dbraw/zinc/65/12/63/823651263.db2.gz ZEKUMDFRQBGXOB-QHCPKHFHSA-N 1 0 386.499 4.495 20 0 GIADRO CC(C)[C@@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1CCCO1)[NH+](C)C ZINC000063119320 823651998 /nfs/dbraw/zinc/65/19/98/823651998.db2.gz BKRHSDOXSUBNQN-MSOLQXFVSA-N 1 0 387.351 4.087 20 0 GIADRO C[NH+]1CCC(NC(=S)Nc2ccc(-c3nc4ccccc4s3)cc2)CC1 ZINC000063144305 823652530 /nfs/dbraw/zinc/65/25/30/823652530.db2.gz RMNHEZOMOUKETP-UHFFFAOYSA-N 1 0 382.558 4.344 20 0 GIADRO Fc1cc(Cl)ccc1NC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000063142696 823652547 /nfs/dbraw/zinc/65/25/47/823652547.db2.gz YRZOOOFBFHQJDU-UHFFFAOYSA-N 1 0 377.916 4.430 20 0 GIADRO CCCOc1ccccc1NC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000063144035 823652571 /nfs/dbraw/zinc/65/25/71/823652571.db2.gz YTIONIOCMQLULU-UHFFFAOYSA-N 1 0 383.561 4.426 20 0 GIADRO O=C(Nc1ccc(Cl)c(Cl)c1)C1CC[NH+](CCc2ccncc2)CC1 ZINC000125116084 823652691 /nfs/dbraw/zinc/65/26/91/823652691.db2.gz SERLFGOLWXTBRN-UHFFFAOYSA-N 1 0 378.303 4.282 20 0 GIADRO Cc1nc2cc(NC(=S)NC3CC[NH+](Cc4ccccc4)CC3)ccc2o1 ZINC000063144744 823652737 /nfs/dbraw/zinc/65/27/37/823652737.db2.gz XDQUJKKZEZQPJI-UHFFFAOYSA-N 1 0 380.517 4.087 20 0 GIADRO Cc1nc(CC[NH+]2CCC(N(CC3CC3)C(=O)OC(C)(C)C)CC2)cs1 ZINC000125121781 823653055 /nfs/dbraw/zinc/65/30/55/823653055.db2.gz NZPPFLWCTLTCRG-UHFFFAOYSA-N 1 0 379.570 4.106 20 0 GIADRO C[C@@H](NC(=S)NC1CC[NH+](C)CC1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000063149947 823653124 /nfs/dbraw/zinc/65/31/24/823653124.db2.gz OHKNTLBXXVWSPY-OAHLLOKOSA-N 1 0 387.524 4.237 20 0 GIADRO CCOc1cc(NC(=S)NC2CC[NH+](Cc3ccccc3)CC2)ccc1OC ZINC000063149616 823653218 /nfs/dbraw/zinc/65/32/18/823653218.db2.gz XJHNTFQTMFWMFD-UHFFFAOYSA-N 1 0 399.560 4.045 20 0 GIADRO Cc1cc(F)ccc1[C@@H]1CCCN1C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412401746 823653437 /nfs/dbraw/zinc/65/34/37/823653437.db2.gz HUHJTWDNUXKHKU-ICSRJNTNSA-N 1 0 376.541 4.015 20 0 GIADRO CCCS(=O)(=O)N1CCC([NH2+][C@@H](CC)c2ccc(Cl)c(Cl)c2)CC1 ZINC000125128904 823653557 /nfs/dbraw/zinc/65/35/57/823653557.db2.gz GSXVUYFYIJIBTM-KRWDZBQOSA-N 1 0 393.380 4.238 20 0 GIADRO C[C@H](CC(F)F)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000412417220 823654384 /nfs/dbraw/zinc/65/43/84/823654384.db2.gz KEJRZAKQBQWBQT-UIAACRFSSA-N 1 0 390.449 4.201 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)C[C@@H](c1cccs1)n1cccc1 ZINC000412421111 823654554 /nfs/dbraw/zinc/65/45/54/823654554.db2.gz SNUDRGLWTDGVTO-SFHVURJKSA-N 1 0 387.574 4.181 20 0 GIADRO CCCCC1CCC(NC(=O)C(=O)Nc2cccc(C[NH+](CC)CC)c2)CC1 ZINC000063229925 823655532 /nfs/dbraw/zinc/65/55/32/823655532.db2.gz SZNVPBHVCOIZNX-UHFFFAOYSA-N 1 0 387.568 4.332 20 0 GIADRO C[C@@H](c1nc(C(C)(C)NC(=O)c2cccc(Cl)c2)no1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000191174036 823656343 /nfs/dbraw/zinc/65/63/43/823656343.db2.gz WYXLEGHLVIJFSM-MJBXVCDLSA-N 1 0 390.915 4.322 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)/C=C(/C)c3ccc(F)cc3)CC2)cc1 ZINC000063262580 823657871 /nfs/dbraw/zinc/65/78/71/823657871.db2.gz FDCNOOCCBBVACO-SDXDJHTJSA-N 1 0 396.506 4.266 20 0 GIADRO CC[C@@H]([NH2+][C@@H](C)c1cnn(C(C)C)c1C)c1ccccc1OCC(=O)N(C)C ZINC000191190197 823657893 /nfs/dbraw/zinc/65/78/93/823657893.db2.gz DPHMXFVUGCCHOR-OXJNMPFZSA-N 1 0 386.540 4.041 20 0 GIADRO COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)Nc2cc(C[NH+]3CCCC3)ccc2C)c1 ZINC000191201031 823658708 /nfs/dbraw/zinc/65/87/08/823658708.db2.gz KDSSZMYWJWUJNY-CTNGQTDRSA-N 1 0 394.515 4.350 20 0 GIADRO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1cc(C2CC2)nc2ccccc21 ZINC000063273040 823658770 /nfs/dbraw/zinc/65/87/70/823658770.db2.gz UGEBCKSCKCFIJW-UHFFFAOYSA-N 1 0 377.532 4.497 20 0 GIADRO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000125205483 823659000 /nfs/dbraw/zinc/65/90/00/823659000.db2.gz YQSZWWXGACJALX-CYBMUJFWSA-N 1 0 386.970 4.080 20 0 GIADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCc1ccc(Sc2ccccc2)cc1 ZINC000125210132 823659383 /nfs/dbraw/zinc/65/93/83/823659383.db2.gz DEDDYOUETPHUSU-UTKZUKDTSA-N 1 0 383.561 4.319 20 0 GIADRO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H](O)c1ccccc1C(F)(F)F ZINC000063287302 823660046 /nfs/dbraw/zinc/66/00/46/823660046.db2.gz FPBNXMMLABMDRM-SFHVURJKSA-N 1 0 380.366 4.335 20 0 GIADRO CC(C)[C@@H](C)NC(=O)C1CC[NH+]([C@H](C)c2cccc(Br)c2)CC1 ZINC000125221616 823660222 /nfs/dbraw/zinc/66/02/22/823660222.db2.gz GYPMJVPUKOVCTE-HUUCEWRRSA-N 1 0 381.358 4.383 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1cc(F)c(F)cc1F ZINC000125226510 823660401 /nfs/dbraw/zinc/66/04/01/823660401.db2.gz XZBYBXPDFZQTFK-UHFFFAOYSA-N 1 0 382.813 4.152 20 0 GIADRO CCC[C@H]([NH2+]Cc1ccccc1S(=O)(=O)NC(C)(C)C)c1ccsc1 ZINC000191222361 823660549 /nfs/dbraw/zinc/66/05/49/823660549.db2.gz VJTCDVUEPGUDGL-KRWDZBQOSA-N 1 0 380.579 4.456 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CC2CCC3(CC2)OCCO3)cc1 ZINC000191223743 823660738 /nfs/dbraw/zinc/66/07/38/823660738.db2.gz JAHCCOSSNVLWOA-GOSISDBHSA-N 1 0 386.536 4.323 20 0 GIADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@@H](O)c1ccc(C(C)(C)C)cc1 ZINC000125230788 823660767 /nfs/dbraw/zinc/66/07/67/823660767.db2.gz ZVEIYSMYBWNPGV-RDTXWAMCSA-N 1 0 389.927 4.073 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)CC3CCC4(CC3)OCCO4)cc2)C1 ZINC000191223803 823660763 /nfs/dbraw/zinc/66/07/63/823660763.db2.gz QLLLWSFNRKSHDK-SFHVURJKSA-N 1 0 386.536 4.180 20 0 GIADRO Cc1cccn2cc(COc3ccc(C[NH2+]C[C@@H]4Cc5ccccc5O4)cc3)nc12 ZINC000063313069 823661789 /nfs/dbraw/zinc/66/17/89/823661789.db2.gz BTCIDAYDPRASCN-QHCPKHFHSA-N 1 0 399.494 4.315 20 0 GIADRO Cc1c([C@@H](C)[NH2+]Cc2ccc(OCc3cn4cccc(C)c4n3)cc2)cnn1C ZINC000063313208 823661872 /nfs/dbraw/zinc/66/18/72/823661872.db2.gz SCJCJNUJAJTNTI-QGZVFWFLSA-N 1 0 389.503 4.114 20 0 GIADRO Cc1cc(C(=O)Nc2ccc(C[NH+](C)C)cc2F)c(C)n1Cc1ccccn1 ZINC000412561120 823662383 /nfs/dbraw/zinc/66/23/83/823662383.db2.gz SDSSUVNNHRJHLU-UHFFFAOYSA-N 1 0 380.467 4.001 20 0 GIADRO CCOc1cccc([C@@H](C)NC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000063323505 823662841 /nfs/dbraw/zinc/66/28/41/823662841.db2.gz MBWUZNSZNVKWDH-LJQANCHMSA-N 1 0 395.547 4.419 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)c1cc2cc(F)ccc2s1 ZINC000412564433 823663044 /nfs/dbraw/zinc/66/30/44/823663044.db2.gz OEANMZAEHWGPNG-UHFFFAOYSA-N 1 0 388.464 4.242 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)[C@H](C)c1cccc(Cl)c1 ZINC000412566995 823663108 /nfs/dbraw/zinc/66/31/08/823663108.db2.gz WJAFTJCMSARIJO-CQSZACIVSA-N 1 0 376.884 4.031 20 0 GIADRO Cc1c([C@@H](C)[NH2+]Cc2ccc(NC(=O)c3cccnc3)cc2)cnn1C(C)(C)C ZINC000191247249 823663209 /nfs/dbraw/zinc/66/32/09/823663209.db2.gz UWSUOTIVZRCUFO-MRXNPFEDSA-N 1 0 391.519 4.445 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)N(C)Cc3ccccc3C)CC2)cc1 ZINC000063331542 823663298 /nfs/dbraw/zinc/66/32/98/823663298.db2.gz AUBPZZFQGQZDDU-UHFFFAOYSA-N 1 0 395.547 4.057 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)NCC(C)(C)c1ccccc1OC ZINC000063334678 823663795 /nfs/dbraw/zinc/66/37/95/823663795.db2.gz SHRLFNXUAGAYNK-UHFFFAOYSA-N 1 0 397.563 4.314 20 0 GIADRO C[NH+](C)Cc1ccc(NC(=O)C2(Cc3ccc(F)cc3)CCOCC2)c(F)c1 ZINC000412583068 823664173 /nfs/dbraw/zinc/66/41/73/823664173.db2.gz SWSRBEYTYLZECW-UHFFFAOYSA-N 1 0 388.458 4.004 20 0 GIADRO C[NH+](C)Cc1ccc(NC(=O)CCn2c3ccccc3nc2C2CC2)c(F)c1 ZINC000412585638 823664542 /nfs/dbraw/zinc/66/45/42/823664542.db2.gz VQITUIVDDSBGFN-UHFFFAOYSA-N 1 0 380.467 4.143 20 0 GIADRO COCc1ccccc1C(=O)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000461583721 823665045 /nfs/dbraw/zinc/66/50/45/823665045.db2.gz WFULHNQCKNGBPP-UHFFFAOYSA-N 1 0 392.543 4.494 20 0 GIADRO CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000125297409 823665924 /nfs/dbraw/zinc/66/59/24/823665924.db2.gz VXCNXKWDQBKVPH-INIZCTEOSA-N 1 0 399.535 4.016 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@H](C)Cn2cc(Br)cn2)ccc1OC(C)C ZINC000125300103 823666096 /nfs/dbraw/zinc/66/60/96/823666096.db2.gz VKIWYHQZHBVMGU-ZIAGYGMSSA-N 1 0 396.329 4.181 20 0 GIADRO Cc1c([C@H](C)[NH2+]CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cnn1C(C)(C)C ZINC000191274940 823666279 /nfs/dbraw/zinc/66/62/79/823666279.db2.gz CJIHWZCWXNBVHT-DOTOQJQBSA-N 1 0 378.561 4.244 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)Nc3ccc(F)c(F)c3)CC2)cc1 ZINC000063388824 823666309 /nfs/dbraw/zinc/66/63/09/823666309.db2.gz OHNHYWYVSDJJDV-UHFFFAOYSA-N 1 0 389.446 4.007 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)Nc3cc(C)ccc3C)CC2)cc1 ZINC000063388383 823666393 /nfs/dbraw/zinc/66/63/93/823666393.db2.gz FVRSEKCANPQGOC-UHFFFAOYSA-N 1 0 381.520 4.346 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@@H]2CCCN(Cc3c(F)cccc3F)C2)cnn1C(C)C ZINC000191279058 823666771 /nfs/dbraw/zinc/66/67/71/823666771.db2.gz IBHIAJRUUJTJDH-DOTOQJQBSA-N 1 0 376.495 4.366 20 0 GIADRO CSc1nnc(CCC[NH2+][C@H](C)c2cnn(C(C)C)c2C)n1CC(C)C ZINC000191286980 823667612 /nfs/dbraw/zinc/66/76/12/823667612.db2.gz YDBZRMAJUGRIIX-OAHLLOKOSA-N 1 0 378.590 4.025 20 0 GIADRO C[N@@H+]1CCCN(C(=O)CC2(Cc3nc4ccccc4s3)CCCCC2)CC1 ZINC000125329495 823668389 /nfs/dbraw/zinc/66/83/89/823668389.db2.gz FKUBRZULUOHJID-UHFFFAOYSA-N 1 0 385.577 4.344 20 0 GIADRO Cc1c([C@@H](C)[NH2+][C@H]2CCN(c3ccccc3OC(F)F)C2)cnn1C(C)C ZINC000191294090 823668421 /nfs/dbraw/zinc/66/84/21/823668421.db2.gz ZREOIDFETFRMEP-ZBFHGGJFSA-N 1 0 378.467 4.303 20 0 GIADRO COc1ccccc1C(C)(C)CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000063408649 823669023 /nfs/dbraw/zinc/66/90/23/823669023.db2.gz YGWBZSODNWHVIV-IBGZPJMESA-N 1 0 399.535 4.092 20 0 GIADRO C[C@H](CCc1ccccc1)[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191302972 823669229 /nfs/dbraw/zinc/66/92/29/823669229.db2.gz VRNOYUPYRRQGMW-CQSZACIVSA-N 1 0 384.471 4.090 20 0 GIADRO C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccccc2C(=O)c2cccs2)CC1 ZINC000125349339 823669857 /nfs/dbraw/zinc/66/98/57/823669857.db2.gz XVWBEJXECGRKMS-MRXNPFEDSA-N 1 0 382.529 4.068 20 0 GIADRO CC(C)N(C)c1ccc(C[NH+]2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)cn1 ZINC000191311776 823670219 /nfs/dbraw/zinc/67/02/19/823670219.db2.gz FICMQVLVXSUTAZ-KRWDZBQOSA-N 1 0 390.572 4.051 20 0 GIADRO COCCN(C)c1ccc(C[NH2+][C@H](c2ccc(F)cc2F)C(C)(C)C)cn1 ZINC000191318037 823670980 /nfs/dbraw/zinc/67/09/80/823670980.db2.gz XAOOUQIITGABJC-HXUWFJFHSA-N 1 0 377.479 4.319 20 0 GIADRO CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000125370506 823671179 /nfs/dbraw/zinc/67/11/79/823671179.db2.gz USLMPSAULCPKDK-UHFFFAOYSA-N 1 0 382.552 4.163 20 0 GIADRO Cn1ncc2c1CCC[C@@H]2[NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000125378588 823671632 /nfs/dbraw/zinc/67/16/32/823671632.db2.gz JNORWSDCKNIBMO-IBGZPJMESA-N 1 0 392.469 4.071 20 0 GIADRO CC(C)Oc1ccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)cc1 ZINC000125384035 823672093 /nfs/dbraw/zinc/67/20/93/823672093.db2.gz VZYGWPHBCPIPDP-AOMKIAJQSA-N 1 0 397.519 4.142 20 0 GIADRO CC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)cc1 ZINC000125383318 823672185 /nfs/dbraw/zinc/67/21/85/823672185.db2.gz PXPLIMKOYRDUIW-STQMWFEESA-N 1 0 376.403 4.168 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@@H](C)c1cnn(C(C)(C)C)c1C ZINC000191326470 823672216 /nfs/dbraw/zinc/67/22/16/823672216.db2.gz ZYQCVDQWVKIVBB-ZDUSSCGKSA-N 1 0 392.931 4.288 20 0 GIADRO C[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)CC1 ZINC000125392974 823672823 /nfs/dbraw/zinc/67/28/23/823672823.db2.gz LJVJLSVRRUPAPH-SFHVURJKSA-N 1 0 391.515 4.028 20 0 GIADRO CC(C)Oc1ccc([C@@H](O)C[NH2+][C@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)cc1 ZINC000125392777 823672843 /nfs/dbraw/zinc/67/28/43/823672843.db2.gz OYGLAPLFFLWETH-VFNWGFHPSA-N 1 0 382.504 4.088 20 0 GIADRO Cc1ccccc1C[C@@H](C)NC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000063464158 823673238 /nfs/dbraw/zinc/67/32/38/823673238.db2.gz KYEGOWLVAHDMAE-IRLDBZIGSA-N 1 0 379.548 4.137 20 0 GIADRO COc1ccc([C@H](C)N(C)C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000063464504 823673383 /nfs/dbraw/zinc/67/33/83/823673383.db2.gz BSYHKKXHKVRSEM-PZJWPPBQSA-N 1 0 395.547 4.310 20 0 GIADRO O=C(c1ccc(Br)c(F)c1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000063467172 823673625 /nfs/dbraw/zinc/67/36/25/823673625.db2.gz HOTXBDJEBWBUHG-UHFFFAOYSA-N 1 0 397.332 4.316 20 0 GIADRO COc1cc([C@H](C)[NH2+]C[C@H](O)c2ccc(OC(C)C)cc2)ccc1OC(F)F ZINC000125405637 823673664 /nfs/dbraw/zinc/67/36/64/823673664.db2.gz GVZAXUZDNLKRQW-KSSFIOAISA-N 1 0 395.446 4.468 20 0 GIADRO COc1ccc2oc(C[NH2+]CC3CCN(Cc4nc(C)c(C)o4)CC3)cc2c1 ZINC000125402942 823673682 /nfs/dbraw/zinc/67/36/82/823673682.db2.gz LIJJNKOTMYLLBH-UHFFFAOYSA-N 1 0 383.492 4.048 20 0 GIADRO COc1cc([C@@H](C)[NH2+]C[C@@H](O)c2ccc(OC(C)C)cc2)ccc1OC(F)F ZINC000125405815 823673854 /nfs/dbraw/zinc/67/38/54/823673854.db2.gz GVZAXUZDNLKRQW-RDTXWAMCSA-N 1 0 395.446 4.468 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)c1cnn(C(C)C)c1C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000191344023 823674347 /nfs/dbraw/zinc/67/43/47/823674347.db2.gz LANFUIALHPNOAY-TZYHBYERSA-N 1 0 384.568 4.103 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C1CCOCC1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000125418496 823674638 /nfs/dbraw/zinc/67/46/38/823674638.db2.gz YXNULPLNRNRDJF-WDEREUQCSA-N 1 0 378.822 4.091 20 0 GIADRO COCC1CCC(NC(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)CC1 ZINC000412684187 823674893 /nfs/dbraw/zinc/67/48/93/823674893.db2.gz GNQVNNPPBIZGSN-UHFFFAOYSA-N 1 0 380.532 4.254 20 0 GIADRO O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412703670 823676340 /nfs/dbraw/zinc/67/63/40/823676340.db2.gz AOWORSOFUIMGOE-IRLDBZIGSA-N 1 0 382.548 4.021 20 0 GIADRO COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cc3ccccc3o2)c1 ZINC000191362506 823676570 /nfs/dbraw/zinc/67/65/70/823676570.db2.gz YAOUTJMEMIQAQK-HRCADAONSA-N 1 0 396.487 4.367 20 0 GIADRO CC(C)n1ncc2cc(C[NH2+][C@@H]3CCN(C)[C@@H]3c3ccc(Cl)cc3)cnc21 ZINC000125446105 823676889 /nfs/dbraw/zinc/67/68/89/823676889.db2.gz BKSCWSVUVQUVKB-WOJBJXKFSA-N 1 0 383.927 4.201 20 0 GIADRO O=C(NCc1ccco1)c1cccc(C[NH2+]Cc2ccccc2OCC2CC2)c1 ZINC000063522101 823677416 /nfs/dbraw/zinc/67/74/16/823677416.db2.gz XRMACDKMENHBQX-UHFFFAOYSA-N 1 0 390.483 4.288 20 0 GIADRO Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000461670984 823678631 /nfs/dbraw/zinc/67/86/31/823678631.db2.gz XITYERAUSJLBSP-LLVKDONJSA-N 1 0 387.471 4.330 20 0 GIADRO CCOc1ccc(C[NH2+]Cc2cc(Br)c(OC)c(OC)c2)cc1 ZINC000063559291 823679181 /nfs/dbraw/zinc/67/91/81/823679181.db2.gz VADLHGAISSSRNX-UHFFFAOYSA-N 1 0 380.282 4.155 20 0 GIADRO COc1ccccc1C[NH2+]CC1(c2cc(Cl)ccc2OC)CCOCC1 ZINC000063558739 823679288 /nfs/dbraw/zinc/67/92/88/823679288.db2.gz GMIJUYDLVGFQCH-UHFFFAOYSA-N 1 0 375.896 4.195 20 0 GIADRO O=C(CCCc1ccccc1Br)N1CCC([NH2+]C2CCCC2)CC1 ZINC000125489922 823680403 /nfs/dbraw/zinc/68/04/03/823680403.db2.gz DSVCNCTWNVZASU-UHFFFAOYSA-N 1 0 393.369 4.295 20 0 GIADRO COc1ccc2oc(C[NH2+][C@H](C)c3cc(F)ccc3N3CCC(O)CC3)cc2c1 ZINC000125490283 823680435 /nfs/dbraw/zinc/68/04/35/823680435.db2.gz SZUAAGICKYTWQV-OAHLLOKOSA-N 1 0 398.478 4.392 20 0 GIADRO O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412750163 823680510 /nfs/dbraw/zinc/68/05/10/823680510.db2.gz YAHRZCHZQFQLGD-QHCPKHFHSA-N 1 0 390.527 4.276 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)cnn1C(C)C ZINC000191401691 823681147 /nfs/dbraw/zinc/68/11/47/823681147.db2.gz NBTAZLLQLRFTEG-SGTLLEGYSA-N 1 0 378.879 4.021 20 0 GIADRO Cc1c2cc(Br)ccc2oc1C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000461687072 823681283 /nfs/dbraw/zinc/68/12/83/823681283.db2.gz ICYGYNVFDLGNEK-LBPRGKRZSA-N 1 0 381.314 4.210 20 0 GIADRO CC(C)(C)[NH+]1CCC(NC(=O)N(CCC(F)(F)F)Cc2ccccc2)CC1 ZINC000191409603 823681774 /nfs/dbraw/zinc/68/17/74/823681774.db2.gz OIDRXGHOYHQSSR-UHFFFAOYSA-N 1 0 385.474 4.414 20 0 GIADRO COCCN(C)c1ccc(C[N@H+](C)[C@@H](C)c2sc(C(C)C)nc2C)cn1 ZINC000191427020 823684071 /nfs/dbraw/zinc/68/40/71/823684071.db2.gz LZELJOKZGHGBFF-INIZCTEOSA-N 1 0 376.570 4.246 20 0 GIADRO CN(C(=O)N[C@H]1COc2cccc(Cl)c21)C1CC[NH+](Cc2ccccc2)CC1 ZINC000461707039 823684902 /nfs/dbraw/zinc/68/49/02/823684902.db2.gz VAYLYGOTUUCQRE-IBGZPJMESA-N 1 0 399.922 4.080 20 0 GIADRO CCCN(C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1)[C@H]1CCCc2cccnc21 ZINC000461707667 823685229 /nfs/dbraw/zinc/68/52/29/823685229.db2.gz NEOVCUIYAMZSOR-KNQAVFIVSA-N 1 0 394.563 4.401 20 0 GIADRO COc1cc(C)c([C@@H](C)[NH2+]C[C@@H](O)c2ccc(OC(F)(F)F)cc2)cc1OC ZINC000125583189 823687345 /nfs/dbraw/zinc/68/73/45/823687345.db2.gz WFXKWMCLFAQNMW-CXAGYDPISA-N 1 0 399.409 4.295 20 0 GIADRO FC1(F)Oc2ccc(NC(=S)Nc3cccc(C[NH+]4CCCC4)c3)cc2O1 ZINC000063669860 823688027 /nfs/dbraw/zinc/68/80/27/823688027.db2.gz PBONFNCZEWSTTQ-UHFFFAOYSA-N 1 0 391.443 4.413 20 0 GIADRO C[C@@H](C(=O)NC[C@@H](c1cccs1)[NH+](C)C)c1cccc(Br)c1 ZINC000461730768 823688724 /nfs/dbraw/zinc/68/87/24/823688724.db2.gz UZBMVAXUYJOEHK-DOMZBBRYSA-N 1 0 381.339 4.033 20 0 GIADRO O=C(Cn1ccc2ccccc21)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000063680285 823688981 /nfs/dbraw/zinc/68/89/81/823688981.db2.gz DGFHAHLEIJMADP-UHFFFAOYSA-N 1 0 375.516 4.334 20 0 GIADRO CCCn1ccnc1CCC[N@H+](C)[C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000191474153 823688987 /nfs/dbraw/zinc/68/89/87/823688987.db2.gz UQDVLWQXDUZFTB-INIZCTEOSA-N 1 0 385.487 4.416 20 0 GIADRO CC(C)(C)OC(=O)CC[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000412897390 823689855 /nfs/dbraw/zinc/68/98/55/823689855.db2.gz JRWOVHFXQACFHE-RBUKOAKNSA-N 1 0 392.584 4.002 20 0 GIADRO COc1ccc(CC[C@@H](C)NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000063698671 823690010 /nfs/dbraw/zinc/69/00/10/823690010.db2.gz AYFSXJBWUCEDRZ-LJQANCHMSA-N 1 0 380.532 4.045 20 0 GIADRO CC[C@H](NC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1)c1nccs1 ZINC000125614023 823690106 /nfs/dbraw/zinc/69/01/06/823690106.db2.gz CODRSBULEYKTDV-IBGZPJMESA-N 1 0 386.565 4.326 20 0 GIADRO Cc1nc(-c2ccc(Cl)s2)sc1C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000063706040 823690339 /nfs/dbraw/zinc/69/03/39/823690339.db2.gz BVYOIGUOMTTYAT-LBPRGKRZSA-N 1 0 383.970 4.294 20 0 GIADRO COC(=O)c1ccc(OC(C)C)c(NC(=O)c2cccc(C[NH+]3CCCC3)c2)c1 ZINC000063716885 823691158 /nfs/dbraw/zinc/69/11/58/823691158.db2.gz PGRNATQCRIWMCR-UHFFFAOYSA-N 1 0 396.487 4.109 20 0 GIADRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccnc(OCC(F)(F)F)c1)CCS2 ZINC000191495406 823691256 /nfs/dbraw/zinc/69/12/56/823691256.db2.gz FVOYEENSWAICQI-HNNXBMFYSA-N 1 0 384.423 4.358 20 0 GIADRO CCc1nc2c(s1)[C@H]([NH2+]C[C@H](O)c1ccc(OC(F)(F)F)cc1)CCC2 ZINC000125627986 823691369 /nfs/dbraw/zinc/69/13/69/823691369.db2.gz MOAREQSFZIKTBL-HIFRSBDPSA-N 1 0 386.439 4.305 20 0 GIADRO CC[NH+](CC)[C@H](CN[C@H](c1ncc[nH]1)c1ccccc1)c1cccc(OC)c1 ZINC000125630429 823691478 /nfs/dbraw/zinc/69/14/78/823691478.db2.gz CAQPVISAXMABQW-YADHBBJMSA-N 1 0 378.520 4.180 20 0 GIADRO C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000063723024 823691571 /nfs/dbraw/zinc/69/15/71/823691571.db2.gz LUHQGAKQDVYSDS-IBGZPJMESA-N 1 0 380.532 4.454 20 0 GIADRO CC(C)(C)[N@@H+]1CCCN(C(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)CC1 ZINC000063723870 823691736 /nfs/dbraw/zinc/69/17/36/823691736.db2.gz ITFCVCAJWDXLGW-UHFFFAOYSA-N 1 0 389.927 4.260 20 0 GIADRO CCCOc1ccc(C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cc1OCCC ZINC000063727438 823692147 /nfs/dbraw/zinc/69/21/47/823692147.db2.gz JZFHSTATDXWHRQ-UHFFFAOYSA-N 1 0 376.541 4.211 20 0 GIADRO O=C1OCC[C@H]1CC[NH+]1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000125637477 823692218 /nfs/dbraw/zinc/69/22/18/823692218.db2.gz NHDBETSYQQSSJD-IRLDBZIGSA-N 1 0 398.934 4.000 20 0 GIADRO Cc1ccccc1O[C@@H](C)C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000125639214 823692427 /nfs/dbraw/zinc/69/24/27/823692427.db2.gz ASYXIYLXSMNIAZ-KRWDZBQOSA-N 1 0 386.923 4.310 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(Cn3ccccc3=O)cc1)CCS2 ZINC000191503752 823692496 /nfs/dbraw/zinc/69/24/96/823692496.db2.gz GOIAKJDLNPUVBE-OAQYLSRUSA-N 1 0 392.524 4.232 20 0 GIADRO COc1ccc2c(c1)[C@@H]([NH2+][C@H](Cc1ccccc1)C(=O)N1CCCC1)CCS2 ZINC000191506415 823693055 /nfs/dbraw/zinc/69/30/55/823693055.db2.gz ASDIROWULYJUJF-LEWJYISDSA-N 1 0 396.556 4.055 20 0 GIADRO CCCn1ccnc1CCC[N@H+](C)[C@H](C)c1nc2sc(C)c(C)c2c(N)n1 ZINC000191513078 823694061 /nfs/dbraw/zinc/69/40/61/823694061.db2.gz XLBIXDVMCGMNRT-CQSZACIVSA-N 1 0 386.569 4.122 20 0 GIADRO Cc1ccc(-n2nc(C(=O)N(C)CC[N@H+](C)C3CCCCC3)c3c2CCC3)cc1 ZINC000063771407 823694446 /nfs/dbraw/zinc/69/44/46/823694446.db2.gz GJDJFNPHWJXURT-UHFFFAOYSA-N 1 0 394.563 4.006 20 0 GIADRO COc1ccccc1CNC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000063777782 823695243 /nfs/dbraw/zinc/69/52/43/823695243.db2.gz JGUPLTPOGSZCGN-UHFFFAOYSA-N 1 0 381.520 4.071 20 0 GIADRO Cc1ccc(C[NH2+][C@H](C)c2cc(F)c(F)c(F)c2)c(-n2cc(Cl)cn2)n1 ZINC000191530034 823696156 /nfs/dbraw/zinc/69/61/56/823696156.db2.gz BXZTZVXPWIEMHD-LLVKDONJSA-N 1 0 380.801 4.497 20 0 GIADRO CN(C)c1ccc(NC(=O)NCCC[NH2+]C2CCCCC2)c(C(F)(F)F)c1 ZINC000125682955 823696434 /nfs/dbraw/zinc/69/64/34/823696434.db2.gz LITRPGCTQXDVIG-UHFFFAOYSA-N 1 0 386.462 4.205 20 0 GIADRO CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCC(n2c(CC)nc3ccccc32)CC1 ZINC000461796639 823696620 /nfs/dbraw/zinc/69/66/20/823696620.db2.gz PDUCXKYSBJIDHU-SFHVURJKSA-N 1 0 399.583 4.066 20 0 GIADRO CCc1noc(C2CCC([NH2+][C@@H](C)c3nc(-c4cccc(F)c4)no3)CC2)n1 ZINC000191533013 823696676 /nfs/dbraw/zinc/69/66/76/823696676.db2.gz UASHSFAUTKJXAZ-FUJMWEONSA-N 1 0 385.443 4.198 20 0 GIADRO C[NH+]1CCN(Cc2cccc(NC(=S)Nc3ccc(F)c(Cl)c3)c2)CC1 ZINC000063794232 823697072 /nfs/dbraw/zinc/69/70/72/823697072.db2.gz WMKHCRUNXSNNRC-UHFFFAOYSA-N 1 0 392.931 4.035 20 0 GIADRO Brc1cccc([C@H]([NH2+][C@@H]2CCO[C@H](C3CC3)C2)C2CCOCC2)c1 ZINC000191549025 823698410 /nfs/dbraw/zinc/69/84/10/823698410.db2.gz HILZNVITIQGZGN-HSALFYBXSA-N 1 0 394.353 4.464 20 0 GIADRO CCOC(=O)c1csc(CC[NH2+][C@@H](CC)c2cccc(Br)c2)n1 ZINC000191557285 823699209 /nfs/dbraw/zinc/69/92/09/823699209.db2.gz NZAIGLMMFQIISR-AWEZNQCLSA-N 1 0 397.338 4.366 20 0 GIADRO CC[C@H](CCc1ccc(Br)cc1)[NH2+]C1CCN(C(=O)C2CC2)CC1 ZINC000461811201 823699544 /nfs/dbraw/zinc/69/95/44/823699544.db2.gz HULNJDAUNNZDTF-GOSISDBHSA-N 1 0 393.369 4.151 20 0 GIADRO CCOC(=O)c1csc(C2CC[NH+](CCCc3cccc(F)c3)CC2)n1 ZINC000191572825 823702326 /nfs/dbraw/zinc/70/23/26/823702326.db2.gz RPDBKZVZICGLMO-UHFFFAOYSA-N 1 0 376.497 4.271 20 0 GIADRO CC(C)(C)n1cc(NC(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000574322294 823702571 /nfs/dbraw/zinc/70/25/71/823702571.db2.gz MKJVGNJNKONSQO-LJQANCHMSA-N 1 0 383.540 4.062 20 0 GIADRO COc1ccc([C@@H](Cc2ccccc2)[NH2+]C[C@@H](O)COc2ccccc2)cc1 ZINC000574322916 823702635 /nfs/dbraw/zinc/70/26/35/823702635.db2.gz UEEYRKCOTYXZSM-ZJSXRUAMSA-N 1 0 377.484 4.009 20 0 GIADRO Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N(CC[NH+](C)C)c1ccccc1 ZINC000063853399 823702679 /nfs/dbraw/zinc/70/26/79/823702679.db2.gz JLAHRZXWUKKPMF-UHFFFAOYSA-N 1 0 387.549 4.250 20 0 GIADRO CC[N@@H+]1CCC[C@H](CNC(=O)/C(=C/c2ccccc2OC)c2ccccc2)C1 ZINC000063852820 823702682 /nfs/dbraw/zinc/70/26/82/823702682.db2.gz APMRNKICMOVJID-NDWLXSOOSA-N 1 0 378.516 4.084 20 0 GIADRO CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1c(F)cc(F)cc1Br ZINC000163353049 823703285 /nfs/dbraw/zinc/70/32/85/823703285.db2.gz RDNFSRCKQRZMAU-IINYFYTJSA-N 1 0 375.257 4.224 20 0 GIADRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)C1 ZINC000063865851 823703777 /nfs/dbraw/zinc/70/37/77/823703777.db2.gz LOLOMOOTDZPXFE-KRWDZBQOSA-N 1 0 394.544 4.063 20 0 GIADRO COc1cc(OC)cc([C@H]([NH2+][C@@H]2CC[C@H](c3ccccc3)C2)c2nccn2C)c1 ZINC000125749827 823703870 /nfs/dbraw/zinc/70/38/70/823703870.db2.gz PQTCTRMYESVYOL-NOXFTYBFSA-N 1 0 391.515 4.453 20 0 GIADRO COCCN(C)c1ccc(C[NH2+][C@H](c2ccc(Cl)cc2F)C(C)C)cn1 ZINC000191581629 823704011 /nfs/dbraw/zinc/70/40/11/823704011.db2.gz SHHHHYKMLLNMJN-FQEVSTJZSA-N 1 0 379.907 4.444 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2OC)cc1Cn1cccn1 ZINC000163367361 823704392 /nfs/dbraw/zinc/70/43/92/823704392.db2.gz CSGPUMQVSQMWJH-HZPDHXFCSA-N 1 0 383.467 4.500 20 0 GIADRO Cc1ccc([C@H](C[NH2+][C@@H](C)c2ccc(Br)cn2)N2CCCC2)o1 ZINC000574340214 823704862 /nfs/dbraw/zinc/70/48/62/823704862.db2.gz MMFQYIBAQPWFOJ-YOEHRIQHSA-N 1 0 378.314 4.233 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)[C@H](C)c1nc2ccccc2s1 ZINC000125755905 823704945 /nfs/dbraw/zinc/70/49/45/823704945.db2.gz RAHSDYSWDVFEGO-GJZGRUSLSA-N 1 0 388.558 4.123 20 0 GIADRO C[C@H]1C[C@@H](NC(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)CS1 ZINC000413087678 823704948 /nfs/dbraw/zinc/70/49/48/823704948.db2.gz VJXUXNFNPGCNKV-OXJNMPFZSA-N 1 0 383.561 4.108 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)CS1 ZINC000413087679 823704972 /nfs/dbraw/zinc/70/49/72/823704972.db2.gz VJXUXNFNPGCNKV-OXQOHEQNSA-N 1 0 383.561 4.108 20 0 GIADRO CC(C)C(=O)Nc1ccc(C[NH2+][C@H](C)c2ccc(Br)cn2)cc1 ZINC000574341312 823705154 /nfs/dbraw/zinc/70/51/54/823705154.db2.gz ZWKBTMLOCRNSDW-CYBMUJFWSA-N 1 0 376.298 4.289 20 0 GIADRO C[N@H+](CCCNC(=O)N1CC2(CCOCC2)[C@@H]1c1ccccc1)C1CCCCC1 ZINC000413094604 823706034 /nfs/dbraw/zinc/70/60/34/823706034.db2.gz BGKDVXMLXUIHAG-QFIPXVFZSA-N 1 0 399.579 4.204 20 0 GIADRO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@H]1CCC[C@H](O)C1 ZINC000163397964 823706390 /nfs/dbraw/zinc/70/63/90/823706390.db2.gz UEHKNEYJZYFBSC-DYEKYZERSA-N 1 0 392.849 4.217 20 0 GIADRO C[C@H]1CCC[N@H+](CCCCNC(=O)N2CC3(CCOCC3)[C@H]2c2ccccc2)C1 ZINC000413098848 823706713 /nfs/dbraw/zinc/70/67/13/823706713.db2.gz ATSQRKPYENXBBT-RBBKRZOGSA-N 1 0 399.579 4.062 20 0 GIADRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@@H](NC(=O)c1cccs1)C(C)C ZINC000163408618 823707137 /nfs/dbraw/zinc/70/71/37/823707137.db2.gz QVWZQGDXPVHTFJ-FQEVSTJZSA-N 1 0 399.560 4.045 20 0 GIADRO CC[C@@H](NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)c1nc(C)cs1 ZINC000125772831 823707329 /nfs/dbraw/zinc/70/73/29/823707329.db2.gz IZQFODWWTQBAJU-GOSISDBHSA-N 1 0 378.586 4.200 20 0 GIADRO C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+]Cc1ccc(N2CCOCC2)nc1 ZINC000574358745 823708019 /nfs/dbraw/zinc/70/80/19/823708019.db2.gz MCNDBCRMCPBTCS-WJDWOHSUSA-N 1 0 391.437 4.130 20 0 GIADRO C[C@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)[N@@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000163426188 823708146 /nfs/dbraw/zinc/70/81/46/823708146.db2.gz YGCIMGYXOFHJJR-VXGBXAGGSA-N 1 0 397.306 4.082 20 0 GIADRO COc1ccc(CN(C)C(=O)NCCCC[NH+]2CCC(C)CC2)cc1Cl ZINC000413117049 823709956 /nfs/dbraw/zinc/70/99/56/823709956.db2.gz WXIOZWSFNJICMV-UHFFFAOYSA-N 1 0 381.948 4.002 20 0 GIADRO COc1cc([C@@H](C)[NH2+]C[C@@H](Cc2ccccc2)C(C)C)ccc1S(C)(=O)=O ZINC000191603973 823710142 /nfs/dbraw/zinc/71/01/42/823710142.db2.gz WWXZCWTZGJTZGO-YLJYHZDGSA-N 1 0 389.561 4.264 20 0 GIADRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1nc2ccccc2cc1Cl ZINC000574372733 823711798 /nfs/dbraw/zinc/71/17/98/823711798.db2.gz QKTVOQLWFLYOAV-UHFFFAOYSA-N 1 0 385.870 4.231 20 0 GIADRO CC(C)N(C)c1ccc(C[NH2+]Cc2cc3cc(Br)ccc3[nH]2)cn1 ZINC000191611319 823712294 /nfs/dbraw/zinc/71/22/94/823712294.db2.gz XXJGPHZQVIVPRA-UHFFFAOYSA-N 1 0 387.325 4.460 20 0 GIADRO Cc1c([C@H](C)[NH2+]C2CCN(c3ccc(C)cn3)CC2)cnn1-c1ccc(F)cc1 ZINC000163477238 823713716 /nfs/dbraw/zinc/71/37/16/823713716.db2.gz LIYJJUCXQAWGNO-KRWDZBQOSA-N 1 0 393.510 4.343 20 0 GIADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000163483173 823714321 /nfs/dbraw/zinc/71/43/21/823714321.db2.gz FMDOZLCNYQTJLI-INIZCTEOSA-N 1 0 389.927 4.022 20 0 GIADRO Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)[C@@H]([NH2+]C1CCOCC1)C(C)C ZINC000163498754 823715832 /nfs/dbraw/zinc/71/58/32/823715832.db2.gz BEQUKEOXPJHJKI-AVRDEDQJSA-N 1 0 387.568 4.106 20 0 GIADRO c1ccc2nc(N3CCCCC3)c(C[NH2+][C@H]3CCOC4(CCOCC4)C3)cc2c1 ZINC000574387862 823716861 /nfs/dbraw/zinc/71/68/61/823716861.db2.gz QPOZDWIEBTUBDK-NRFANRHFSA-N 1 0 395.547 4.043 20 0 GIADRO Cc1noc(C)c1CSc1ccccc1C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000574398106 823719130 /nfs/dbraw/zinc/71/91/30/823719130.db2.gz NZJBMVDPODUIAP-ROUUACIJSA-N 1 0 399.560 4.045 20 0 GIADRO Cc1nc(CC2CC2)sc1C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000191631198 823719132 /nfs/dbraw/zinc/71/91/32/823719132.db2.gz AEHWOHWJBIAHJZ-UHFFFAOYSA-N 1 0 383.561 4.141 20 0 GIADRO CCCCOc1ccc(C[NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1Cl ZINC000191632433 823719287 /nfs/dbraw/zinc/71/92/87/823719287.db2.gz AOKRQUCYDBAPSJ-AWEZNQCLSA-N 1 0 396.940 4.017 20 0 GIADRO Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000574398442 823719659 /nfs/dbraw/zinc/71/96/59/823719659.db2.gz AXRWKJWDXQEFGV-MFKMUULPSA-N 1 0 382.291 4.156 20 0 GIADRO COc1cccc(C[NH+]2CCC(c3noc(-c4ccccc4OC)n3)CC2)c1 ZINC000191634391 823720489 /nfs/dbraw/zinc/72/04/89/823720489.db2.gz XNZNEPQPSMRDJH-UHFFFAOYSA-N 1 0 379.460 4.133 20 0 GIADRO CCc1c(NC(=O)NCc2cccc(C[NH+](C)C)c2)cnn1-c1ccccc1C ZINC000191636690 823721124 /nfs/dbraw/zinc/72/11/24/823721124.db2.gz NKNWKUGGFTWOOZ-UHFFFAOYSA-N 1 0 391.519 4.126 20 0 GIADRO CC(C)NC(=O)Nc1ccccc1NC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000413176229 823721391 /nfs/dbraw/zinc/72/13/91/823721391.db2.gz GFOCRSMDBICQQA-UHFFFAOYSA-N 1 0 394.519 4.455 20 0 GIADRO Cc1nc(CC2CC2)sc1C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000191640723 823722116 /nfs/dbraw/zinc/72/21/16/823722116.db2.gz ZUBCZXOBKPRWHF-MAUKXSAKSA-N 1 0 375.582 4.131 20 0 GIADRO C[NH+](C)CCc1ccc(C(=O)N[C@H](c2c(F)cccc2F)C(F)(F)F)cc1 ZINC000574413469 823723007 /nfs/dbraw/zinc/72/30/07/823723007.db2.gz JEAXOSUVHWTGBU-QGZVFWFLSA-N 1 0 386.364 4.102 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)N(C)Cc1ccc(OC)c(Cl)c1)c1ccco1 ZINC000413186691 823723780 /nfs/dbraw/zinc/72/37/80/823723780.db2.gz PSXFUQJFLFKNGM-KRWDZBQOSA-N 1 0 393.915 4.166 20 0 GIADRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)Nc1cccnc1C(F)(F)F)C1CC1 ZINC000574436916 823729135 /nfs/dbraw/zinc/72/91/35/823729135.db2.gz YRRLTIUVTOTCLT-KRWDZBQOSA-N 1 0 392.425 4.133 20 0 GIADRO Cc1cc(NCc2nc3ccccc3n2C)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000191678632 823730479 /nfs/dbraw/zinc/73/04/79/823730479.db2.gz MHMBCHPIIQJTAI-UHFFFAOYSA-N 1 0 377.536 4.024 20 0 GIADRO Fc1cc(CC[NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)c2c(c1)COCO2 ZINC000574451573 823733637 /nfs/dbraw/zinc/73/36/37/823733637.db2.gz BAHUUMYOVRANFT-JOCHJYFZSA-N 1 0 396.506 4.022 20 0 GIADRO FC(F)(F)c1cccc(CC[NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)n1 ZINC000574452186 823734525 /nfs/dbraw/zinc/73/45/25/823734525.db2.gz BEXAANIFUGRINX-IBGZPJMESA-N 1 0 389.465 4.430 20 0 GIADRO CS[C@@H]1CN(c2nc(C(F)F)nc3ccc(Cl)cc32)C[C@H]1[NH+]1CCCC1 ZINC000413234912 823734721 /nfs/dbraw/zinc/73/47/21/823734721.db2.gz QZTFIVZJVZTULC-HUUCEWRRSA-N 1 0 398.910 4.237 20 0 GIADRO CC(C)([NH2+]Cc1cc(=O)oc2cc(O)ccc12)c1ccc(OC(F)(F)F)cc1 ZINC000191691367 823735309 /nfs/dbraw/zinc/73/53/09/823735309.db2.gz INJNYAVICZLSAG-UHFFFAOYSA-N 1 0 393.361 4.422 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cc(F)cc3cccnc32)CC1 ZINC000163680013 823735973 /nfs/dbraw/zinc/73/59/73/823735973.db2.gz CDYOYZBJFCMBER-INIZCTEOSA-N 1 0 377.463 4.329 20 0 GIADRO O=C(Nc1cccc(C(=O)N2CCCCC2)c1)c1cccc(C[NH+]2CCCC2)c1 ZINC000064026823 823736138 /nfs/dbraw/zinc/73/61/38/823736138.db2.gz OXGBGXYEYSWBIY-UHFFFAOYSA-N 1 0 391.515 4.161 20 0 GIADRO CN(Cc1csc(Br)c1)C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000064027923 823736627 /nfs/dbraw/zinc/73/66/27/823736627.db2.gz IDZJLLMUEQEBPF-UHFFFAOYSA-N 1 0 393.350 4.379 20 0 GIADRO CCC[NH+](CCC)CCCNC(=O)N1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000413244196 823737261 /nfs/dbraw/zinc/73/72/61/823737261.db2.gz ZCOVTMLKGYXQOY-NRFANRHFSA-N 1 0 387.568 4.062 20 0 GIADRO CC[NH+](CC)CCSCC(=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000461889733 823740362 /nfs/dbraw/zinc/74/03/62/823740362.db2.gz XPIJQFZAKHKQQJ-QGZVFWFLSA-N 1 0 399.398 4.188 20 0 GIADRO Clc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(CN3CCOCC3)c1)CCS2 ZINC000163715788 823740837 /nfs/dbraw/zinc/74/08/37/823740837.db2.gz JMTNYEUQWKKTAZ-FQEVSTJZSA-N 1 0 388.964 4.499 20 0 GIADRO CC[C@H](Cc1ccc(C)cc1)[NH2+][C@@H](c1nccn1C)c1cc(OC)cc(OC)c1 ZINC000461892717 823741182 /nfs/dbraw/zinc/74/11/82/823741182.db2.gz YNGFMYYSGFOOQD-NFBKMPQASA-N 1 0 393.531 4.446 20 0 GIADRO COc1cc2[nH+]ccc(N[C@@H](C)c3nc(C(F)(F)F)cs3)c2cc1OC ZINC000413270251 823742086 /nfs/dbraw/zinc/74/20/86/823742086.db2.gz QNFAFNBJLDNIKK-VIFPVBQESA-N 1 0 383.395 4.322 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@H](CN2CCOCC2)c2ccccc2)ccc1SC ZINC000163724855 823742279 /nfs/dbraw/zinc/74/22/79/823742279.db2.gz XQPQBQDSQLZFEO-FXAWDEMLSA-N 1 0 386.561 4.141 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)N(CC(C)C)[C@H]2CCCc3cccnc32)CC1 ZINC000163728059 823742484 /nfs/dbraw/zinc/74/24/84/823742484.db2.gz QBXGLOUULJJMIL-NRFANRHFSA-N 1 0 386.584 4.249 20 0 GIADRO C[C@H]([NH2+][C@@H](CN1CCOCC1)c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000163734050 823742782 /nfs/dbraw/zinc/74/27/82/823742782.db2.gz VQRDAUIFAYWBGV-JXFKEZNVSA-N 1 0 376.447 4.012 20 0 GIADRO CC[C@@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)CC(F)(F)F ZINC000413273111 823742811 /nfs/dbraw/zinc/74/28/11/823742811.db2.gz YCCSUTBCFDPTMO-BPIHKTFHSA-N 1 0 397.485 4.460 20 0 GIADRO C[C@@H](O)[C@@](C)(C[NH2+]Cc1ccc(OCc2ccncc2)cc1)Cc1ccccc1 ZINC000191714660 823744722 /nfs/dbraw/zinc/74/47/22/823744722.db2.gz CWWPWCHEQCGVIM-CJFMBICVSA-N 1 0 390.527 4.380 20 0 GIADRO C[C@H]([NH2+][C@H](CN1CCOCC1)c1ccccc1)c1cccc(-c2ccncc2)c1 ZINC000163754048 823745193 /nfs/dbraw/zinc/74/51/93/823745193.db2.gz ZSZDGZCXOBHULU-NBGIEHNGSA-N 1 0 387.527 4.473 20 0 GIADRO C[C@@H]1CCC[C@H](OCCCCCC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)C1 ZINC000163760635 823745768 /nfs/dbraw/zinc/74/57/68/823745768.db2.gz PUTCTSBFTZDDTE-VSKRKVRLSA-N 1 0 378.601 4.477 20 0 GIADRO CO[C@@](C)(C(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000461901671 823745943 /nfs/dbraw/zinc/74/59/43/823745943.db2.gz VURMDYRITBBHED-RUZDIDTESA-N 1 0 392.543 4.381 20 0 GIADRO COc1cc(C[NH2+]C[C@](C)(Cc2ccccc2)[C@@H](C)O)ccc1OC(F)F ZINC000191720162 823746557 /nfs/dbraw/zinc/74/65/57/823746557.db2.gz PBHGKWVTMXJEEN-VFNWGFHPSA-N 1 0 379.447 4.016 20 0 GIADRO Cc1ccc(CCC(=O)N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)s1 ZINC000574490723 823746681 /nfs/dbraw/zinc/74/66/81/823746681.db2.gz JMQSYWSJLONVHU-KRWDZBQOSA-N 1 0 396.478 4.399 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(Cl)c2Br)C1 ZINC000191723262 823746945 /nfs/dbraw/zinc/74/69/45/823746945.db2.gz GWEKNKWATZRSGT-LBPRGKRZSA-N 1 0 388.737 4.298 20 0 GIADRO CC[C@H](Sc1ccccc1)C(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000413305726 823749330 /nfs/dbraw/zinc/74/93/30/823749330.db2.gz VTQZIWFWUSIVCH-QFIPXVFZSA-N 1 0 397.588 4.118 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1sc(C(F)(F)F)nc1C)Cc1ccccc1 ZINC000461909478 823749772 /nfs/dbraw/zinc/74/97/72/823749772.db2.gz VCTRQPNGQNNGSO-HNNXBMFYSA-N 1 0 399.482 4.153 20 0 GIADRO c1ccc(CCCOc2cccc(C[NH+]3CCC(O[C@H]4CCOC4)CC3)c2)cc1 ZINC000574506260 823751245 /nfs/dbraw/zinc/75/12/45/823751245.db2.gz DDLQADIKUBWLDE-VWLOTQADSA-N 1 0 395.543 4.468 20 0 GIADRO CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000413332718 823754514 /nfs/dbraw/zinc/75/45/14/823754514.db2.gz MDTHNUKAJOTQAS-OAQYLSRUSA-N 1 0 381.520 4.297 20 0 GIADRO O=C1C[C@H](C[NH2+]Cc2ccc(-c3ccccc3Br)cc2)CN1C1CC1 ZINC000574525685 823754993 /nfs/dbraw/zinc/75/49/93/823754993.db2.gz UCXDCBWRLDDTET-MRXNPFEDSA-N 1 0 399.332 4.217 20 0 GIADRO O=C(Nc1ccc(F)cc1)c1ccc(CNC2CC[NH+](CC3CC3)CC2)cc1 ZINC000125966822 823755558 /nfs/dbraw/zinc/75/55/58/823755558.db2.gz HBNVCHCOXKGRDX-UHFFFAOYSA-N 1 0 381.495 4.042 20 0 GIADRO CCOc1cc(C[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)ccc1OC(F)F ZINC000163880697 823755911 /nfs/dbraw/zinc/75/59/11/823755911.db2.gz ONHCWVHKHJWDIX-ZBSNKRKSSA-N 1 0 383.460 4.275 20 0 GIADRO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+](Cc2ccc(N(C)C)nc2)C1 ZINC000125969358 823756018 /nfs/dbraw/zinc/75/60/18/823756018.db2.gz HFWXELVSLRMWBQ-IBGZPJMESA-N 1 0 377.536 4.458 20 0 GIADRO COC1(CNC(=O)NC2CC[NH+](C3CCC3)CC2)CCC(c2ccccc2)CC1 ZINC000574529187 823756002 /nfs/dbraw/zinc/75/60/02/823756002.db2.gz SXYWMPVFAQOZIY-UHFFFAOYSA-N 1 0 399.579 4.046 20 0 GIADRO CCc1nc2ccc(Cl)cn2c1C(=O)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000461921555 823756712 /nfs/dbraw/zinc/75/67/12/823756712.db2.gz NPCFTXFQFMHRNB-HLLBOEOZSA-N 1 0 388.943 4.028 20 0 GIADRO COc1cc(NC(=O)C[N@@H+]2CCCCC[C@H]2c2ccccc2)cc(OC)c1OC ZINC000125987787 823760267 /nfs/dbraw/zinc/76/02/67/823760267.db2.gz QITSEHRQBMPSTH-IBGZPJMESA-N 1 0 398.503 4.268 20 0 GIADRO Cn1c2ccccc2nc1[C@@H]([NH2+]C[C@H](O)CCc1ccccc1)c1ccccc1 ZINC000125988008 823760287 /nfs/dbraw/zinc/76/02/87/823760287.db2.gz NERZNQMNLIAOAH-QPPBQGQZSA-N 1 0 385.511 4.246 20 0 GIADRO CSCc1cccc(NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)c1 ZINC000163926630 823761691 /nfs/dbraw/zinc/76/16/91/823761691.db2.gz WWWYNXSORBPGPX-UHFFFAOYSA-N 1 0 384.545 4.006 20 0 GIADRO 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 823763971 /nfs/dbraw/zinc/76/39/71/823763971.db2.gz KRPAAXXJJGQIRP-LISAXSMJSA-N 1 0 385.474 4.031 20 0 GIADRO [NH3+]C1(c2noc([C@H]3C[C@]34CCc3cc(Br)ccc34)n2)CCCCC1 ZINC000574564561 823768077 /nfs/dbraw/zinc/76/80/77/823768077.db2.gz ZZQSKBINVBLNJV-QAPCUYQASA-N 1 0 388.309 4.322 20 0 GIADRO O=C(C[C@H]1CCC[N@H+](C[C@@H]2CCCCC2(F)F)C1)NCc1ccc(F)cc1 ZINC000574570865 823769346 /nfs/dbraw/zinc/76/93/46/823769346.db2.gz UAQSUQHFXPTAGD-MSOLQXFVSA-N 1 0 382.470 4.370 20 0 GIADRO Cc1coc(-c2cccc(NC(=O)N[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C)c2)n1 ZINC000164027531 823771645 /nfs/dbraw/zinc/77/16/45/823771645.db2.gz DBJOMWFIJQFEKX-KKSFZXQISA-N 1 0 390.487 4.292 20 0 GIADRO Cc1cccc([C@@H](NC(=O)N2CCC(CCC[NH+](C)C)CC2)c2ccccn2)c1 ZINC000164026986 823771745 /nfs/dbraw/zinc/77/17/45/823771745.db2.gz PGSDOVWKQJWSTC-HSZRJFAPSA-N 1 0 394.563 4.243 20 0 GIADRO COc1cc([C@@H](C)NC2CC[NH+](CC3CC3)CC2)ccc1OCc1ccncc1 ZINC000164041455 823772679 /nfs/dbraw/zinc/77/26/79/823772679.db2.gz HTUIPHFQGKSJQN-GOSISDBHSA-N 1 0 395.547 4.194 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)NCCc2ccccc2C(F)(F)F)c1 ZINC000064226680 823774688 /nfs/dbraw/zinc/77/46/88/823774688.db2.gz LKYWCRAIBAURLD-UHFFFAOYSA-N 1 0 393.453 4.199 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)N(C)CCOc2ccc(Cl)cc2)c1 ZINC000064229847 823776019 /nfs/dbraw/zinc/77/60/19/823776019.db2.gz MSNCZXIEEJMALK-UHFFFAOYSA-N 1 0 389.927 4.012 20 0 GIADRO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c1 ZINC000191807881 823776277 /nfs/dbraw/zinc/77/62/77/823776277.db2.gz XPJGGPBIAFKSSF-NVXWUHKLSA-N 1 0 375.266 4.002 20 0 GIADRO Cc1ccc([C@H](CNC(=O)NCc2ccc(Cl)s2)[NH+]2CCCC2)cc1 ZINC000064237078 823777812 /nfs/dbraw/zinc/77/78/12/823777812.db2.gz XNRDEAPYIIPENN-KRWDZBQOSA-N 1 0 377.941 4.346 20 0 GIADRO Cc1ccc([C@H](CNC(=O)NCc2cc3ccccc3o2)[NH+]2CCCC2)cc1 ZINC000064237074 823777891 /nfs/dbraw/zinc/77/78/91/823777891.db2.gz ZALASVDYJWSIBC-NRFANRHFSA-N 1 0 377.488 4.378 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)N(Cc1ccccc1)CC1CCC1)c1cccc(F)c1 ZINC000064240853 823778889 /nfs/dbraw/zinc/77/88/89/823778889.db2.gz OJCLLSMTXNUZGK-JOCHJYFZSA-N 1 0 383.511 4.440 20 0 GIADRO CC(C)(C)[C@H](Cc1ccccc1C(F)(F)F)[NH2+]Cc1ncnn1CC(F)F ZINC000574609224 823780299 /nfs/dbraw/zinc/78/02/99/823780299.db2.gz XLQOHCLRYVCZOR-AWEZNQCLSA-N 1 0 390.400 4.309 20 0 GIADRO CC(C)[NH2+]C1CCN(C(=O)N[C@H](C)[C@H](C)c2ccccc2C(F)(F)F)CC1 ZINC000164147781 823781513 /nfs/dbraw/zinc/78/15/13/823781513.db2.gz AQJBYXWNPUERSK-LSDHHAIUSA-N 1 0 385.474 4.369 20 0 GIADRO CCCN(CC[NH+](CC)CC)C(=O)Nc1ccc2oc(C(F)(F)F)nc2c1 ZINC000461983473 823782162 /nfs/dbraw/zinc/78/21/62/823782162.db2.gz FBQNJHJLYVBXII-UHFFFAOYSA-N 1 0 386.418 4.432 20 0 GIADRO Fc1ccc(CN2CCC([NH2+][C@@H](c3ncc[nH]3)c3ccccc3)CC2)cc1F ZINC000126087082 823783573 /nfs/dbraw/zinc/78/35/73/823783573.db2.gz XNQUKHIXDSHNRI-OAQYLSRUSA-N 1 0 382.458 4.032 20 0 GIADRO Fc1ccc(CN2CCC([NH2+][C@H](c3ncc[nH]3)c3ccccc3)CC2)cc1F ZINC000126086913 823783964 /nfs/dbraw/zinc/78/39/64/823783964.db2.gz XNQUKHIXDSHNRI-NRFANRHFSA-N 1 0 382.458 4.032 20 0 GIADRO CCOc1cc2[nH+]ccc(N3CCC(c4ccncn4)CC3)c2cc1OCC ZINC000413471387 823784478 /nfs/dbraw/zinc/78/44/78/823784478.db2.gz POOZNIYTRBDVRX-UHFFFAOYSA-N 1 0 378.476 4.206 20 0 GIADRO Cc1ncc([C@@H](C)[NH2+]Cc2cccc(NC(=O)c3cccc(F)c3)c2)c(C)n1 ZINC000126096507 823786121 /nfs/dbraw/zinc/78/61/21/823786121.db2.gz RUNOKCXQXYVNDI-CQSZACIVSA-N 1 0 378.451 4.336 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCCc2ccc3[nH]ccc3c2)CC1 ZINC000574630025 823786234 /nfs/dbraw/zinc/78/62/34/823786234.db2.gz CMBAFTVXCKVMFU-GOSISDBHSA-N 1 0 390.531 4.235 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)[C@H](C)c1cccc(Br)c1)c1ccco1 ZINC000461991884 823786565 /nfs/dbraw/zinc/78/65/65/823786565.db2.gz ZVWVCEGIWSBPQZ-RHSMWYFYSA-N 1 0 393.325 4.345 20 0 GIADRO Cc1nccn1-c1ccc(C[NH2+][C@H](C)c2ccc(Br)cc2F)cn1 ZINC000126098386 823786877 /nfs/dbraw/zinc/78/68/77/823786877.db2.gz RTGPXQAFQXIKBO-GFCCVEGCSA-N 1 0 389.272 4.328 20 0 GIADRO CC[NH+](CC)CCSCC(=O)Nc1ccc(-c2nc3ccccc3n2C)cc1 ZINC000461996607 823788670 /nfs/dbraw/zinc/78/86/70/823788670.db2.gz JARKCPYZCHTDRL-UHFFFAOYSA-N 1 0 396.560 4.254 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)CC1 ZINC000064310175 823789005 /nfs/dbraw/zinc/78/90/05/823789005.db2.gz LMCWQKGOVNGBPP-UHFFFAOYSA-N 1 0 393.531 4.194 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)COc2ccc3oc4c(c3c2)CCCC4)CC1 ZINC000064310082 823789014 /nfs/dbraw/zinc/78/90/14/823789014.db2.gz MHFBPDOYIICIGS-UHFFFAOYSA-N 1 0 384.520 4.023 20 0 GIADRO C[C@@H]([NH2+][C@H]1C[C@H](C)Sc2sccc21)c1cccc(NS(C)(=O)=O)c1 ZINC000164241685 823789118 /nfs/dbraw/zinc/78/91/18/823789118.db2.gz PPVGKEVTYALUTM-OZVIIMIRSA-N 1 0 382.576 4.396 20 0 GIADRO O=C(CC[NH+]1CCC(c2ccc(OC(F)(F)F)cc2)CC1)Nc1cccnc1 ZINC000574644986 823789485 /nfs/dbraw/zinc/78/94/85/823789485.db2.gz ZLUAEIUGXVZDCV-UHFFFAOYSA-N 1 0 393.409 4.188 20 0 GIADRO CC(C)CC[C@H](C)[NH2+]Cc1cccnc1Oc1cccc(S(C)(=O)=O)c1 ZINC000164249048 823789699 /nfs/dbraw/zinc/78/96/99/823789699.db2.gz OFAIMCMMAFYLFU-INIZCTEOSA-N 1 0 376.522 4.192 20 0 GIADRO CC(=O)c1cccc(NC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000064316686 823790077 /nfs/dbraw/zinc/79/00/77/823790077.db2.gz XLTUNRWYJRDZQV-FQEVSTJZSA-N 1 0 390.405 4.282 20 0 GIADRO Cc1ccc([C@@H](C)[NH2+]Cc2cccnc2Oc2cccc(S(C)(=O)=O)c2)cc1 ZINC000164260221 823790977 /nfs/dbraw/zinc/79/09/77/823790977.db2.gz SNFMEINATGTJPI-QGZVFWFLSA-N 1 0 396.512 4.437 20 0 GIADRO C[N@@H+]1CCC[C@H](CCNC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)C1 ZINC000574656630 823792064 /nfs/dbraw/zinc/79/20/64/823792064.db2.gz UXASVIUMKLCWAP-MRXNPFEDSA-N 1 0 378.476 4.348 20 0 GIADRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000462008369 823792639 /nfs/dbraw/zinc/79/26/39/823792639.db2.gz IREKSFZDEZGXNY-KSSFIOAISA-N 1 0 377.579 4.195 20 0 GIADRO C[C@@H](CC(F)F)C(=O)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000413537718 823794394 /nfs/dbraw/zinc/79/43/94/823794394.db2.gz HBAXATMGFWHSJT-GOEBONIOSA-N 1 0 392.412 4.191 20 0 GIADRO Cc1ccccc1NC(=O)C[C@H](C)[NH2+]Cc1nccn1CCCc1ccccc1 ZINC000164324724 823796003 /nfs/dbraw/zinc/79/60/03/823796003.db2.gz DGJWZSXGFVORMJ-FQEVSTJZSA-N 1 0 390.531 4.331 20 0 GIADRO CCCN(CC[NH+]1CCCCCC1)C(=O)c1cccc(NC(=O)c2ccco2)c1 ZINC000574674342 823797183 /nfs/dbraw/zinc/79/71/83/823797183.db2.gz RMOLZKMPVGZMFQ-UHFFFAOYSA-N 1 0 397.519 4.260 20 0 GIADRO Fc1cc(F)cc(C2CC([NH2+]Cc3cc(Cl)ccc3N3CCOCC3)C2)c1 ZINC000574676610 823797941 /nfs/dbraw/zinc/79/79/41/823797941.db2.gz LEORNFDEOPOJKZ-UHFFFAOYSA-N 1 0 392.877 4.491 20 0 GIADRO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)c1cc(-c2ccccc2)ns1 ZINC000462023446 823798604 /nfs/dbraw/zinc/79/86/04/823798604.db2.gz RNBSWQSYYBINQY-HXUWFJFHSA-N 1 0 377.513 4.377 20 0 GIADRO CSc1cc(C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)ccc1F ZINC000126147250 823799847 /nfs/dbraw/zinc/79/98/47/823799847.db2.gz PTKSDOGNFLOCNS-UHFFFAOYSA-N 1 0 388.508 4.004 20 0 GIADRO CC(C)Sc1ccc(Cl)cc1NC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000574683528 823800226 /nfs/dbraw/zinc/80/02/26/823800226.db2.gz PDEDRKYOFNFUGE-HNNXBMFYSA-N 1 0 378.929 4.214 20 0 GIADRO C[NH+](C)Cc1cc(-c2noc(/C=C\c3cnn(-c4ccccc4)c3)n2)ccc1F ZINC000574682988 823800342 /nfs/dbraw/zinc/80/03/42/823800342.db2.gz JGLJAKKVQFKVGF-FLIBITNWSA-N 1 0 389.434 4.293 20 0 GIADRO C[C@H](CC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)c1ccc(F)c(Br)c1 ZINC000462027555 823801155 /nfs/dbraw/zinc/80/11/55/823801155.db2.gz AEEPOMQHJAURHK-GDBMZVCRSA-N 1 0 397.332 4.169 20 0 GIADRO C[C@@H](CC(=O)N1CCC[C@H]1C[NH+]1CCCC1)c1ccc(F)c(Br)c1 ZINC000462027557 823801373 /nfs/dbraw/zinc/80/13/73/823801373.db2.gz AEEPOMQHJAURHK-HOCLYGCPSA-N 1 0 397.332 4.169 20 0 GIADRO CC(C)CN(C(=O)c1cc(-c2ccc3ccccc3c2)n[nH]1)C1CC[NH+](C)CC1 ZINC000574686038 823801393 /nfs/dbraw/zinc/80/13/93/823801393.db2.gz HSUZBTXEZCHAEM-UHFFFAOYSA-N 1 0 390.531 4.422 20 0 GIADRO O=C(NCC1CC[NH+](C2CC2)CC1)c1ccc(Oc2ccccc2Cl)nc1 ZINC000574690010 823802185 /nfs/dbraw/zinc/80/21/85/823802185.db2.gz XVPMCEJJHJSRNL-UHFFFAOYSA-N 1 0 385.895 4.132 20 0 GIADRO Cc1cccc([C@H]2CCCN2C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)n1 ZINC000126159805 823802465 /nfs/dbraw/zinc/80/24/65/823802465.db2.gz FEGLFJYCIYJBJS-AUSIDOKSSA-N 1 0 392.547 4.462 20 0 GIADRO COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@H]1CCC(C)C ZINC000191883222 823802917 /nfs/dbraw/zinc/80/29/17/823802917.db2.gz KLOGTUBFQGSXCW-KVSKMBFKSA-N 1 0 389.540 4.175 20 0 GIADRO CC[C@H](C(=O)N1CCC(OC2CCC(C)CC2)CC1)[N@H+](C)Cc1ccccc1 ZINC000574698616 823803126 /nfs/dbraw/zinc/80/31/26/823803126.db2.gz MCNOSTANDVTZGB-POOLCLQXSA-N 1 0 386.580 4.483 20 0 GIADRO CC[NH+]1CCN(c2cccc(N[C@H](C)CC(=O)Nc3ccc(C)cc3C)c2)CC1 ZINC000191884491 823803749 /nfs/dbraw/zinc/80/37/49/823803749.db2.gz KNWJLQRUHSDYAI-HXUWFJFHSA-N 1 0 394.563 4.275 20 0 GIADRO CC[N@@H+]1CCC[C@H]1CNC(=S)Nc1ccc(OCc2ccccc2F)cc1 ZINC000064377732 823804247 /nfs/dbraw/zinc/80/42/47/823804247.db2.gz VVBRHDFTPIJQPP-SFHVURJKSA-N 1 0 387.524 4.175 20 0 GIADRO Cc1ccc(NC(=S)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1F ZINC000064377918 823804319 /nfs/dbraw/zinc/80/43/19/823804319.db2.gz OYWYKRGNCWDYBC-HNNXBMFYSA-N 1 0 377.554 4.394 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)c2ccccc2NC(=O)c2cccs2)CC1 ZINC000064381841 823805552 /nfs/dbraw/zinc/80/55/52/823805552.db2.gz KEJXSFGQGYYPOM-UHFFFAOYSA-N 1 0 399.560 4.193 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)c2ccccc2NC(=O)c2ccsc2)CC1 ZINC000064381730 823805567 /nfs/dbraw/zinc/80/55/67/823805567.db2.gz JDOWOJGFLRZSHG-UHFFFAOYSA-N 1 0 399.560 4.193 20 0 GIADRO CC(C)[N@@H+]1CCCN(C(=O)C[C@H](C)c2ccc(F)c(Br)c2)CC1 ZINC000462036294 823805697 /nfs/dbraw/zinc/80/56/97/823805697.db2.gz MJVQLNFQWFGDTD-AWEZNQCLSA-N 1 0 385.321 4.025 20 0 GIADRO Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000164511522 823805876 /nfs/dbraw/zinc/80/58/76/823805876.db2.gz KIWJNRWBTXKUFA-RDJZCZTQSA-N 1 0 389.952 4.328 20 0 GIADRO Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000164511760 823806004 /nfs/dbraw/zinc/80/60/04/823806004.db2.gz KIWJNRWBTXKUFA-DOTOQJQBSA-N 1 0 389.952 4.328 20 0 GIADRO CCCOc1c(Cl)cc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1OCC ZINC000164535588 823807581 /nfs/dbraw/zinc/80/75/81/823807581.db2.gz VMAXCCJPIBGDAF-CRAIPNDOSA-N 1 0 394.943 4.084 20 0 GIADRO C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000462041373 823808159 /nfs/dbraw/zinc/80/81/59/823808159.db2.gz RGHUIISOLXRDRY-IERDGZPVSA-N 1 0 397.950 4.414 20 0 GIADRO Cc1cccc(N2CC[NH+](CCC(=O)N[C@H](C)c3ccccc3Cl)CC2)c1 ZINC000462044070 823809611 /nfs/dbraw/zinc/80/96/11/823809611.db2.gz DFGGCYLLRYUTHT-GOSISDBHSA-N 1 0 385.939 4.038 20 0 GIADRO Cc1cccc(N2CC[NH+](CCC(=O)N[C@@H](C)c3ccccc3Cl)CC2)c1 ZINC000462044071 823809765 /nfs/dbraw/zinc/80/97/65/823809765.db2.gz DFGGCYLLRYUTHT-SFHVURJKSA-N 1 0 385.939 4.038 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000126195148 823809899 /nfs/dbraw/zinc/80/98/99/823809899.db2.gz HASZISXIAZIPFQ-UHFFFAOYSA-N 1 0 398.526 4.412 20 0 GIADRO CC[C@H](NC(=O)N(Cc1ccncc1)C[C@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000413651107 823810805 /nfs/dbraw/zinc/81/08/05/823810805.db2.gz FXHWLIGZQLHHJG-YADHBBJMSA-N 1 0 380.536 4.229 20 0 GIADRO C[C@@H](NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1)c1cccc2ccccc21 ZINC000462050937 823812521 /nfs/dbraw/zinc/81/25/21/823812521.db2.gz SJYPPFSBHKOYPK-LJQANCHMSA-N 1 0 387.527 4.078 20 0 GIADRO COc1ccc(C[NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)c(OC)c1OC ZINC000164617864 823812489 /nfs/dbraw/zinc/81/24/89/823812489.db2.gz FNGIZYDOTWZFTI-INIZCTEOSA-N 1 0 397.393 4.388 20 0 GIADRO OC1(C[NH2+][C@@H](CCCc2ccccc2)Cc2ccc(Cl)cc2)CCOCC1 ZINC000462051881 823813316 /nfs/dbraw/zinc/81/33/16/823813316.db2.gz VWDVXRBJKHIOLT-QFIPXVFZSA-N 1 0 387.951 4.405 20 0 GIADRO CC1(c2nc(Cn3cnc4ccccc43)no2)CC[NH+](Cc2ccccc2)CC1 ZINC000574732822 823813409 /nfs/dbraw/zinc/81/34/09/823813409.db2.gz PQTHKPVKNINUGC-UHFFFAOYSA-N 1 0 387.487 4.021 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C1CCOCC1 ZINC000126215025 823813770 /nfs/dbraw/zinc/81/37/70/823813770.db2.gz BRJDMXZDPWFIKV-NWDGAFQWSA-N 1 0 392.849 4.481 20 0 GIADRO C[C@H](CC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)c1ccc(F)c(Br)c1 ZINC000462056108 823814615 /nfs/dbraw/zinc/81/46/15/823814615.db2.gz RZVOQAOECCWDOQ-GDBMZVCRSA-N 1 0 397.332 4.169 20 0 GIADRO Fc1cc(OCC[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)ccc1Cl ZINC000191933537 823815326 /nfs/dbraw/zinc/81/53/26/823815326.db2.gz BSKIZDAVCPOUIQ-OAHLLOKOSA-N 1 0 392.906 4.055 20 0 GIADRO COCC[N@H+](CCC(=O)Nc1ccccc1-c1ccccc1)Cc1ccco1 ZINC000164703273 823816763 /nfs/dbraw/zinc/81/67/63/823816763.db2.gz AWMMPLVAONKFNM-UHFFFAOYSA-N 1 0 378.472 4.424 20 0 GIADRO CN(C(=O)N[C@H]1CCc2sc(Cl)cc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000462061304 823816857 /nfs/dbraw/zinc/81/68/57/823816857.db2.gz QLUHNDCOEXGOQE-WBVHZDCISA-N 1 0 389.952 4.305 20 0 GIADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000413694716 823819211 /nfs/dbraw/zinc/81/92/11/823819211.db2.gz DZXLJVDLZLGWTQ-MOXGXCLJSA-N 1 0 377.960 4.348 20 0 GIADRO CC(C)Cn1ccnc1C[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000164775890 823819227 /nfs/dbraw/zinc/81/92/27/823819227.db2.gz IHSFXYCNGONVFD-AWEZNQCLSA-N 1 0 382.430 4.065 20 0 GIADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1cccs1 ZINC000064441565 823819487 /nfs/dbraw/zinc/81/94/87/823819487.db2.gz NIZNMQMKFVOTEH-MRXNPFEDSA-N 1 0 387.549 4.241 20 0 GIADRO Cc1ccc(CN2CCOCC2)cc1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000126247640 823820204 /nfs/dbraw/zinc/82/02/04/823820204.db2.gz JUTKFQSRSYUDCM-UHFFFAOYSA-N 1 0 379.287 4.386 20 0 GIADRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000064448218 823820360 /nfs/dbraw/zinc/82/03/60/823820360.db2.gz FUURPBWSOOAXLR-UHFFFAOYSA-N 1 0 376.422 4.442 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1cnccc1C(C)(C)C ZINC000413700964 823820645 /nfs/dbraw/zinc/82/06/45/823820645.db2.gz SKMMBSKAKAGTLL-FQEVSTJZSA-N 1 0 394.563 4.043 20 0 GIADRO Cc1nn(C)c(C)c1CC[NH2+]Cc1c(C)nn(-c2cccc(Cl)c2)c1Cl ZINC000126252078 823821246 /nfs/dbraw/zinc/82/12/46/823821246.db2.gz ALYBKWJAYURBOF-UHFFFAOYSA-N 1 0 392.334 4.170 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC[C@H]3CCO[C@H]3c3ccccc3)ccc21 ZINC000574769695 823821785 /nfs/dbraw/zinc/82/17/85/823821785.db2.gz MSPPMMMZBXEGSH-QIJUGHKUSA-N 1 0 379.504 4.135 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)Nc2cc(C)nn2Cc2ccccc2)CC1 ZINC000126263716 823823970 /nfs/dbraw/zinc/82/39/70/823823970.db2.gz BWERECAXCTYCCH-UHFFFAOYSA-N 1 0 397.567 4.216 20 0 GIADRO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)Nc1ccccc1OC(F)F ZINC000574785098 823825810 /nfs/dbraw/zinc/82/58/10/823825810.db2.gz WEROBLUJGYXQSQ-INIZCTEOSA-N 1 0 375.419 4.074 20 0 GIADRO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CCC(=O)Nc1ccccc1 ZINC000164962142 823827299 /nfs/dbraw/zinc/82/72/99/823827299.db2.gz FDGRHCPVGAMUSZ-AWEZNQCLSA-N 1 0 393.409 4.041 20 0 GIADRO O=C(c1ccc(Cl)cc1)N1CCC[N@H+](Cc2cccc3cccnc32)CC1 ZINC000064480615 823827720 /nfs/dbraw/zinc/82/77/20/823827720.db2.gz HWXUVZKBDANLRK-UHFFFAOYSA-N 1 0 379.891 4.236 20 0 GIADRO C[C@@H]([NH2+]Cc1ccccc1N1CCOCC1)c1ccc(Br)cc1F ZINC000126281329 823828648 /nfs/dbraw/zinc/82/86/48/823828648.db2.gz QHSYFEPUSFKJLJ-CQSZACIVSA-N 1 0 393.300 4.276 20 0 GIADRO C[C@H]([NH2+]Cc1ccccc1N1CCOCC1)c1ccc(Br)cc1F ZINC000126281120 823828715 /nfs/dbraw/zinc/82/87/15/823828715.db2.gz QHSYFEPUSFKJLJ-AWEZNQCLSA-N 1 0 393.300 4.276 20 0 GIADRO COc1ccc([C@H](C)[NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)c(OC)c1 ZINC000165028766 823830204 /nfs/dbraw/zinc/83/02/04/823830204.db2.gz FQKHWGBQOCQLGG-INIZCTEOSA-N 1 0 394.471 4.078 20 0 GIADRO CCCC[C@@H]([NH2+][C@H](C)c1cccc(S(=O)(=O)NC)c1)c1ccc(OC)cc1 ZINC000165047139 823831661 /nfs/dbraw/zinc/83/16/61/823831661.db2.gz OJUNCDPKBBMCRV-IIBYNOLFSA-N 1 0 390.549 4.185 20 0 GIADRO O=C(CC[NH2+][C@H]1CCOC2(CCCCC2)C1)Nc1cccc(Br)c1 ZINC000574804299 823831830 /nfs/dbraw/zinc/83/18/30/823831830.db2.gz XFGTYROETQLSPR-KRWDZBQOSA-N 1 0 395.341 4.249 20 0 GIADRO Fc1ccc([C@H]2OCC[C@H]2[NH2+]C2CCN(CCc3ccccc3)CC2)cc1F ZINC000126294782 823832299 /nfs/dbraw/zinc/83/22/99/823832299.db2.gz DQKFINHQZKVRJP-DHIUTWEWSA-N 1 0 386.486 4.092 20 0 GIADRO C[C@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)c1ccc(Br)s1 ZINC000165100055 823833730 /nfs/dbraw/zinc/83/37/30/823833730.db2.gz NKUMZRKMWOGMKO-LBPRGKRZSA-N 1 0 381.339 4.106 20 0 GIADRO Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]CC1(C(=O)N(C)C)CCCC1 ZINC000165118828 823835302 /nfs/dbraw/zinc/83/53/02/823835302.db2.gz TTZKIJNOCAFKMB-MRXNPFEDSA-N 1 0 385.577 4.342 20 0 GIADRO N#CCSc1ccccc1C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000064521931 823835391 /nfs/dbraw/zinc/83/53/91/823835391.db2.gz PLRHMIUDKQJMIT-MRXNPFEDSA-N 1 0 385.558 4.006 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)Nc2nc(C)c(C(F)(F)F)s2)CC1 ZINC000574827047 823835511 /nfs/dbraw/zinc/83/55/11/823835511.db2.gz UIPORHODTGBKRA-UHFFFAOYSA-N 1 0 392.491 4.446 20 0 GIADRO CC[NH+]1CCC(CNC(=O)N(C)[C@H](C)Cc2ccccc2C(F)(F)F)CC1 ZINC000574832914 823836750 /nfs/dbraw/zinc/83/67/50/823836750.db2.gz WJEVDSBGVSAOEJ-OAHLLOKOSA-N 1 0 385.474 4.010 20 0 GIADRO Cc1ncc(NC(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)c(C2CC2)n1 ZINC000574833446 823837400 /nfs/dbraw/zinc/83/74/00/823837400.db2.gz XJQVKSSQGQAWSJ-UHFFFAOYSA-N 1 0 393.535 4.216 20 0 GIADRO Cc1nc(C(F)(F)F)sc1C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000462125541 823837434 /nfs/dbraw/zinc/83/74/34/823837434.db2.gz JVDPHSNPHMUQBV-ZDUSSCGKSA-N 1 0 397.466 4.426 20 0 GIADRO Cc1nc(C(F)(F)F)sc1C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000462128812 823838295 /nfs/dbraw/zinc/83/82/95/823838295.db2.gz YCXAGMLEGNQENU-UHFFFAOYSA-N 1 0 396.438 4.239 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)Cc1cc(Cl)ccc1Cl ZINC000126320837 823839342 /nfs/dbraw/zinc/83/93/42/823839342.db2.gz BOWXBEFTUVOPJI-UHFFFAOYSA-N 1 0 392.330 4.306 20 0 GIADRO CCCC[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)C(=O)Nc1cc(C)on1 ZINC000192037771 823840035 /nfs/dbraw/zinc/84/00/35/823840035.db2.gz PNHKJPPDCWHNSN-ZIFCJYIRSA-N 1 0 391.899 4.254 20 0 GIADRO CS(=O)(=O)c1ccc(C[NH2+][C@H]2CCCNc3ccccc32)cc1C(F)(F)F ZINC000574844831 823840611 /nfs/dbraw/zinc/84/06/11/823840611.db2.gz ZGNYCEXNANHMOP-KRWDZBQOSA-N 1 0 398.450 4.146 20 0 GIADRO C[C@H](C(=O)NC1(c2cccc(C(F)(F)F)c2)CCOCC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000413788794 823841452 /nfs/dbraw/zinc/84/14/52/823841452.db2.gz UXMWZSTYJHOHQF-BZUAXINKSA-N 1 0 398.469 4.089 20 0 GIADRO CC[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1)C(=O)Nc1ccc(OC)cc1 ZINC000192041791 823841400 /nfs/dbraw/zinc/84/14/00/823841400.db2.gz MWQSZQARZBHUOY-SLFFLAALSA-N 1 0 388.895 4.186 20 0 GIADRO CCn1c(-c2cccs2)nn(CN2CC[NH+](C3CCCCC3)CC2)c1=S ZINC000165277804 823842157 /nfs/dbraw/zinc/84/21/57/823842157.db2.gz LJTBONWFDCRPEJ-UHFFFAOYSA-N 1 0 391.610 4.070 20 0 GIADRO COc1ccc(CCC(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)cc1F ZINC000574851106 823842887 /nfs/dbraw/zinc/84/28/87/823842887.db2.gz RLAZICOJAIICTC-OAQYLSRUSA-N 1 0 398.522 4.185 20 0 GIADRO C[C@@H](NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cnn(Cc2ccccc2)c1 ZINC000165330944 823844035 /nfs/dbraw/zinc/84/40/35/823844035.db2.gz ZEZXGAGIVZCJPD-ZJSXRUAMSA-N 1 0 388.559 4.147 20 0 GIADRO Cc1c2ccc(NC(=O)N3CCC[N@@H+](Cc4ccccc4)C[C@@H]3C)cc2nn1C ZINC000574855138 823844167 /nfs/dbraw/zinc/84/41/67/823844167.db2.gz SIIHUPUYVYJXTB-KRWDZBQOSA-N 1 0 391.519 4.010 20 0 GIADRO COc1ccc(Cl)c(NC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)c1 ZINC000064561098 823844247 /nfs/dbraw/zinc/84/42/47/823844247.db2.gz HEXZTPIYKDOOGQ-UHFFFAOYSA-N 1 0 387.911 4.397 20 0 GIADRO C[C@@H](CC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc(F)c(Br)c1 ZINC000462147608 823844799 /nfs/dbraw/zinc/84/47/99/823844799.db2.gz VUUNMOFOXMEFLF-GJZGRUSLSA-N 1 0 397.332 4.026 20 0 GIADRO C[C@H](CC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc(F)c(Br)c1 ZINC000462147607 823844849 /nfs/dbraw/zinc/84/48/49/823844849.db2.gz VUUNMOFOXMEFLF-CABCVRRESA-N 1 0 397.332 4.026 20 0 GIADRO CCOc1ccc(C(F)(F)F)cc1NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000165353582 823845043 /nfs/dbraw/zinc/84/50/43/823845043.db2.gz WRMXHOFCGZNCCD-CZUORRHYSA-N 1 0 385.430 4.052 20 0 GIADRO C[C@H](CC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1ccc(F)c(Br)c1 ZINC000462151620 823845712 /nfs/dbraw/zinc/84/57/12/823845712.db2.gz YPLNGZCQIRKBSC-OLZOCXBDSA-N 1 0 387.337 4.174 20 0 GIADRO CC(=O)N(c1nc(CN2CC[C@H]([NH+]3CCCC3)C2)cs1)c1cccc(C)c1C ZINC000165369768 823846015 /nfs/dbraw/zinc/84/60/15/823846015.db2.gz MWNUQXUGCNBCGW-FQEVSTJZSA-N 1 0 398.576 4.115 20 0 GIADRO CCOc1ccc(NC(=O)NCC[N@H+](C)Cc2ccccc2)c(C(F)(F)F)c1 ZINC000064563634 823846709 /nfs/dbraw/zinc/84/67/09/823846709.db2.gz GVZMPPXRVDXXQX-UHFFFAOYSA-N 1 0 395.425 4.358 20 0 GIADRO C[C@H]([NH2+][C@H]1CCc2c1cc(Br)cc2F)c1ccc(NC(N)=O)cc1 ZINC000165405417 823847799 /nfs/dbraw/zinc/84/77/99/823847799.db2.gz SVDMCMFHBMUXIC-BTDLBPIBSA-N 1 0 392.272 4.417 20 0 GIADRO CC(C)CC(=O)N1CCC([NH2+][C@@H](C)c2ccc(Br)cc2F)CC1 ZINC000126356448 823847803 /nfs/dbraw/zinc/84/78/03/823847803.db2.gz BNZZOUINALRQME-ZDUSSCGKSA-N 1 0 385.321 4.276 20 0 GIADRO C[NH2+]CCc1ccccc1C(=O)Nc1ccc(F)cc1OCCC(F)(F)F ZINC000574869446 823848199 /nfs/dbraw/zinc/84/81/99/823848199.db2.gz BFAUQWZKPREKEO-UHFFFAOYSA-N 1 0 384.373 4.171 20 0 GIADRO Cc1ccc([C@H](NCc2nnc(C3CC[NH2+]CC3)[nH]2)c2ccccc2Cl)cc1 ZINC000574869676 823848283 /nfs/dbraw/zinc/84/82/83/823848283.db2.gz LHFUPLUGTBPYJX-NRFANRHFSA-N 1 0 395.938 4.113 20 0 GIADRO C[C@H](NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000462158802 823848775 /nfs/dbraw/zinc/84/87/75/823848775.db2.gz NDHYBVADZGCKKH-YJBOKZPZSA-N 1 0 383.458 4.426 20 0 GIADRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)NCc1ccc2sccc2c1 ZINC000462165916 823850887 /nfs/dbraw/zinc/85/08/87/823850887.db2.gz RJCSKWARYFEJND-UHFFFAOYSA-N 1 0 385.508 4.314 20 0 GIADRO CC[C@@H](CC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(OC)cc1 ZINC000126374345 823851278 /nfs/dbraw/zinc/85/12/78/823851278.db2.gz QMCKVXBFLORPLX-FQEVSTJZSA-N 1 0 395.547 4.349 20 0 GIADRO Cc1noc(C)c1CC[N@H+](C[C@H](O)COc1cccc2ccccc21)C(C)C ZINC000165532823 823852169 /nfs/dbraw/zinc/85/21/69/823852169.db2.gz QBNMOPPLNBACPT-FQEVSTJZSA-N 1 0 382.504 4.137 20 0 GIADRO CCOc1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(N2CCCC2)c1 ZINC000126380956 823853234 /nfs/dbraw/zinc/85/32/34/823853234.db2.gz LMTXRLKWPFEGBT-QZTJIDSGSA-N 1 0 381.520 4.363 20 0 GIADRO CC(C)c1nn(C)c2sc(C(=O)N[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C)cc12 ZINC000462173034 823853672 /nfs/dbraw/zinc/85/36/72/823853672.db2.gz ZRTHDECOJIUAIC-MAUKXSAKSA-N 1 0 396.560 4.009 20 0 GIADRO Cc1cc(Cl)ccc1NC(=O)C[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000192081690 823854104 /nfs/dbraw/zinc/85/41/04/823854104.db2.gz UNLTZALDZSGURN-MJGOQNOKSA-N 1 0 397.277 4.499 20 0 GIADRO Cc1ccc(C)c(NC(=O)C[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000192082877 823854372 /nfs/dbraw/zinc/85/43/72/823854372.db2.gz OBMOTDYDNUEVSY-YLJYHZDGSA-N 1 0 376.859 4.154 20 0 GIADRO CC(C)CN(CC[NH+](C)C)C(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000126390173 823855096 /nfs/dbraw/zinc/85/50/96/823855096.db2.gz ILWQXEWNRAAXRI-UHFFFAOYSA-N 1 0 378.517 4.085 20 0 GIADRO CCc1nc(C)c([C@H](C)[NH2+]CCCc2nnc(SC)n2CC(C)C)s1 ZINC000165628112 823855937 /nfs/dbraw/zinc/85/59/37/823855937.db2.gz WNPCBHUJTVJHON-ZDUSSCGKSA-N 1 0 381.615 4.267 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc(Br)c(F)c2)cc1 ZINC000064645363 823856723 /nfs/dbraw/zinc/85/67/23/823856723.db2.gz ANUJUCKAXPAXKK-UHFFFAOYSA-N 1 0 393.300 4.360 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc(Br)c(F)c1 ZINC000064645347 823856861 /nfs/dbraw/zinc/85/68/61/823856861.db2.gz UDSQSFSBOVZUSO-UHFFFAOYSA-N 1 0 393.300 4.360 20 0 GIADRO [NH3+]C[C@H](NCc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1)C1CCCCC1 ZINC000574907684 823858622 /nfs/dbraw/zinc/85/86/22/823858622.db2.gz DMAPYDPJTXHMLD-KRWDZBQOSA-N 1 0 382.533 4.061 20 0 GIADRO CC(C)Oc1ccc([C@H](CNC(=O)c2cc3c(cccc3F)[nH]2)[NH+](C)C)cc1 ZINC000574908931 823858911 /nfs/dbraw/zinc/85/89/11/823858911.db2.gz ACYASKWXBWDMBE-NRFANRHFSA-N 1 0 383.467 4.127 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ncoc1-c1ccccc1Cl ZINC000462184954 823859106 /nfs/dbraw/zinc/85/91/06/823859106.db2.gz CXMGDXPPMHIRPT-KXBFYZLASA-N 1 0 395.890 4.245 20 0 GIADRO C[C@H]([NH2+]CC1(CCO)CCCCC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000165694972 823859558 /nfs/dbraw/zinc/85/95/58/823859558.db2.gz YVWBMNPBMLBZIL-SFHVURJKSA-N 1 0 393.593 4.386 20 0 GIADRO CC[C@@H]([NH2+][C@@H]1CCCc2nc(C)sc21)c1ccccc1OCC(=O)N(C)C ZINC000165697868 823859945 /nfs/dbraw/zinc/85/99/45/823859945.db2.gz RBDUJMTZLNQRMY-SJLPKXTDSA-N 1 0 387.549 4.037 20 0 GIADRO C[C@H](CC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(F)c(Br)c1 ZINC000462186201 823860141 /nfs/dbraw/zinc/86/01/41/823860141.db2.gz FYWMBELMVXDGAP-YUELXQCFSA-N 1 0 385.321 4.071 20 0 GIADRO CSc1nnc(CCC[NH2+][C@@H]2CSCCc3ccccc32)n1CC(C)C ZINC000165711541 823860474 /nfs/dbraw/zinc/86/04/74/823860474.db2.gz FPTKKCRWIDVJPJ-GOSISDBHSA-N 1 0 390.622 4.209 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C[C@@H](C)c2ccc(F)c(Br)c2)C1 ZINC000462188615 823861129 /nfs/dbraw/zinc/86/11/29/823861129.db2.gz ODWVYDRNBMLVIF-HUUCEWRRSA-N 1 0 399.348 4.272 20 0 GIADRO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+](C[C@@H]2CC3(CCC3)C(=O)O2)C1 ZINC000192105278 823861551 /nfs/dbraw/zinc/86/15/51/823861551.db2.gz RQNAUJYPKUSRKJ-ROUUACIJSA-N 1 0 381.520 4.282 20 0 GIADRO COCCC[C@@H]([NH2+]C[C@H]1CSCCS1)c1ccc(Br)cc1 ZINC000165741589 823861998 /nfs/dbraw/zinc/86/19/98/823861998.db2.gz CTSYEUJWSRYQHG-JKSUJKDBSA-N 1 0 390.412 4.355 20 0 GIADRO C[C@H](CSc1ccc(F)cc1)C(=O)Nc1ccc(OCC[NH+](C)C)cc1F ZINC000413902859 823863006 /nfs/dbraw/zinc/86/30/06/823863006.db2.gz PLNCOKJKHDIDST-CQSZACIVSA-N 1 0 394.487 4.272 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)CCCc2cc(F)ccc2F)c(F)c1 ZINC000413902258 823863175 /nfs/dbraw/zinc/86/31/75/823863175.db2.gz OKZDWSWRYAWLHI-UHFFFAOYSA-N 1 0 380.410 4.006 20 0 GIADRO CC[NH+](CC)[C@H](C(=O)N[C@H]1CCO[C@H](C2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000462192899 823863159 /nfs/dbraw/zinc/86/31/59/823863159.db2.gz QKVRXNFFZWYQED-FHWLQOOXSA-N 1 0 398.469 4.162 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(CCC(F)(F)F)cc1 ZINC000462193093 823863368 /nfs/dbraw/zinc/86/33/68/823863368.db2.gz VNFPECWCSBKNOC-OXQOHEQNSA-N 1 0 390.449 4.432 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)c2coc(C3CCCCC3)n2)c(F)c1 ZINC000413903615 823863451 /nfs/dbraw/zinc/86/34/51/823863451.db2.gz RQGRPYUDBMISIB-UHFFFAOYSA-N 1 0 375.444 4.054 20 0 GIADRO CC[C@H](CNC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1)CC(F)(F)F ZINC000413910000 823864529 /nfs/dbraw/zinc/86/45/29/823864529.db2.gz NNJJVUQOAUSWFG-YESZJQIVSA-N 1 0 377.495 4.261 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)CCCc2c[nH]c3ccccc23)c(F)c1 ZINC000413915600 823865117 /nfs/dbraw/zinc/86/51/17/823865117.db2.gz HVGBYMJEXMVBAV-UHFFFAOYSA-N 1 0 383.467 4.209 20 0 GIADRO Fc1ccc([C@H]2OCC[C@H]2[NH2+]CCCc2nc(-c3ccccc3)no2)cc1F ZINC000192119881 823866623 /nfs/dbraw/zinc/86/66/23/823866623.db2.gz XBZUXRAZUSBDAN-UYAOXDASSA-N 1 0 385.414 4.067 20 0 GIADRO O=C(NCc1nc(C2CC2)cs1)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000165956646 823866982 /nfs/dbraw/zinc/86/69/82/823866982.db2.gz HOHSIGROUMJBER-UHFFFAOYSA-N 1 0 398.576 4.396 20 0 GIADRO CCc1nc2c(s1)[C@H](N[C@@H](CC[N@H+](C)CCOC)c1ccccc1)CCC2 ZINC000165994042 823867819 /nfs/dbraw/zinc/86/78/19/823867819.db2.gz YAJDSCJFKFSKFY-RBUKOAKNSA-N 1 0 387.593 4.382 20 0 GIADRO CCc1c(NC(=O)c2ccc(C[NH+](C)C)cc2)cnn1-c1ccccc1Cl ZINC000192124023 823868043 /nfs/dbraw/zinc/86/80/43/823868043.db2.gz FDSPNAMCFULOLY-UHFFFAOYSA-N 1 0 382.895 4.402 20 0 GIADRO CSCC[C@H](C)[N@H+](C)CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC000126446882 823869747 /nfs/dbraw/zinc/86/97/47/823869747.db2.gz KDLFUZQHNFMPSA-HOCLYGCPSA-N 1 0 391.562 4.092 20 0 GIADRO c1ccc(CCN2CCC([NH2+][C@@H](C[C@H]3CCOC3)c3ccccc3)CC2)cc1 ZINC000166137172 823870425 /nfs/dbraw/zinc/87/04/25/823870425.db2.gz IWXVGEFTBSYSFK-RDGATRHJSA-N 1 0 378.560 4.451 20 0 GIADRO O=C(CC[NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)Nc1cccc(Cl)c1 ZINC000192131270 823870956 /nfs/dbraw/zinc/87/09/56/823870956.db2.gz QZFJZJNDULCTQK-PKOBYXMFSA-N 1 0 380.822 4.067 20 0 GIADRO O=C(c1ccccc1F)N1CCC([NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000166154855 823871144 /nfs/dbraw/zinc/87/11/44/823871144.db2.gz VPMMMHFSFHEZMP-MBSDFSHPSA-N 1 0 396.506 4.188 20 0 GIADRO C[C@@H](CCNC(=O)NCc1ccc(C(F)F)cc1)[N@H+](C)Cc1ccccc1 ZINC000462209518 823872637 /nfs/dbraw/zinc/87/26/37/823872637.db2.gz KUZPLIBHXMHWOG-INIZCTEOSA-N 1 0 375.463 4.334 20 0 GIADRO CCCOc1ccccc1Oc1ncccc1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166217312 823872922 /nfs/dbraw/zinc/87/29/22/823872922.db2.gz SRVRTHZMZFEZNZ-VQTJNVASSA-N 1 0 381.520 4.379 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccncc1C(F)(F)F ZINC000192135663 823873800 /nfs/dbraw/zinc/87/38/00/823873800.db2.gz NZLXQOZAAHFBBY-UHFFFAOYSA-N 1 0 397.828 4.148 20 0 GIADRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3cc(O)cc(C(F)(F)F)c3)ccc2NC1=O ZINC000574964545 823873952 /nfs/dbraw/zinc/87/39/52/823873952.db2.gz KLQSVCMKZPRWOE-DIFFPNOSSA-N 1 0 394.393 4.371 20 0 GIADRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1cc(Cl)c(Cl)[nH]1 ZINC000126463947 823873965 /nfs/dbraw/zinc/87/39/65/823873965.db2.gz BNCFLSZTKQYAMT-UHFFFAOYSA-N 1 0 384.332 4.431 20 0 GIADRO O=C(Nc1cccc(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)c1)[C@@H]1CCCO1 ZINC000166302516 823874466 /nfs/dbraw/zinc/87/44/66/823874466.db2.gz VNAHHUKCHRQCIK-PMOQBDJRSA-N 1 0 394.515 4.062 20 0 GIADRO COc1ccc([C@H](Cc2ccccc2)[NH2+]Cc2cccnc2-n2cccn2)cc1 ZINC000574965299 823874835 /nfs/dbraw/zinc/87/48/35/823874835.db2.gz KSMQOODNUZJETC-QHCPKHFHSA-N 1 0 384.483 4.350 20 0 GIADRO CCc1c(C(=O)N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)cnn1-c1ccc(C)cc1 ZINC000064735576 823875041 /nfs/dbraw/zinc/87/50/41/823875041.db2.gz NRWVOCOCKAPGSN-ZVDOUQERSA-N 1 0 394.563 4.221 20 0 GIADRO Cc1ccc(-c2cnc(CCC(=O)N3CCC[C@@H]([N@H+]4[C@H](C)CC[C@@H]4C)C3)o2)cc1 ZINC000064735295 823875126 /nfs/dbraw/zinc/87/51/26/823875126.db2.gz XUDBXIMFPUDCOV-SVFBPWRDSA-N 1 0 395.547 4.446 20 0 GIADRO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc1)CCC2 ZINC000166357411 823876499 /nfs/dbraw/zinc/87/64/99/823876499.db2.gz YQSXHASHDNCDGF-GLDPYIMESA-N 1 0 392.543 4.412 20 0 GIADRO Cc1ccc([C@@H](NC(=O)N2CCC[C@H](C[NH3+])C2)c2ccc(F)cc2Cl)cc1 ZINC000574975142 823877878 /nfs/dbraw/zinc/87/78/78/823877878.db2.gz PCWZQILONMPUGN-FOIQADDNSA-N 1 0 389.902 4.257 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1ccc(SCC(F)F)cc1 ZINC000166465653 823878014 /nfs/dbraw/zinc/87/80/14/823878014.db2.gz CRKUYYWAZFPINC-ZBFHGGJFSA-N 1 0 380.508 4.097 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ccc(C(F)F)cc1 ZINC000462219919 823878269 /nfs/dbraw/zinc/87/82/69/823878269.db2.gz BQWSCTGUIKVVMZ-JXFKEZNVSA-N 1 0 387.474 4.334 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1ccc(C(F)F)cc1 ZINC000462219920 823878295 /nfs/dbraw/zinc/87/82/95/823878295.db2.gz BQWSCTGUIKVVMZ-OXJNMPFZSA-N 1 0 387.474 4.334 20 0 GIADRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCC(F)(F)c2ccccc2)C1 ZINC000462221388 823879416 /nfs/dbraw/zinc/87/94/16/823879416.db2.gz CMMYENFCUAXGJS-ZWKOTPCHSA-N 1 0 379.495 4.074 20 0 GIADRO Cc1nc(CN2CCC(C[NH2+][C@H](C[C@H]3CCOC3)c3ccccc3)CC2)oc1C ZINC000166581519 823879652 /nfs/dbraw/zinc/87/96/52/823879652.db2.gz QYJUWFQYJPQTID-FYYLOGMGSA-N 1 0 397.563 4.261 20 0 GIADRO O[C@@H]1Cc2ccccc2[C@H]1[NH2+][C@@H]1CCSc2ccc(Br)cc21 ZINC000166612501 823880086 /nfs/dbraw/zinc/88/00/86/823880086.db2.gz PEIKBSKQWARCNM-JFIYKMOQSA-N 1 0 376.319 4.234 20 0 GIADRO CCCCCOc1ccc([C@H](C)[NH2+]C[C@@H]2CC3(CCC3)C(=O)O2)cc1OC ZINC000192151436 823881634 /nfs/dbraw/zinc/88/16/34/823881634.db2.gz LVOTYDVNYUGTTM-WMZOPIPTSA-N 1 0 375.509 4.401 20 0 GIADRO COc1ccccc1CC(=O)N1CCC([NH2+][C@@H]2CC[C@H](c3ccccc3)C2)CC1 ZINC000126489235 823881857 /nfs/dbraw/zinc/88/18/57/823881857.db2.gz MBJCPIVUWPAQPW-NZQKXSOJSA-N 1 0 392.543 4.155 20 0 GIADRO COc1ccccc1CC(=O)N1CCC([NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000126489669 823881889 /nfs/dbraw/zinc/88/18/89/823881889.db2.gz MBJCPIVUWPAQPW-NFBKMPQASA-N 1 0 392.543 4.155 20 0 GIADRO C[C@H](CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000413978863 823882420 /nfs/dbraw/zinc/88/24/20/823882420.db2.gz IOQPYWLVQVHNQH-BBRMVZONSA-N 1 0 396.375 4.146 20 0 GIADRO CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000166969492 823884376 /nfs/dbraw/zinc/88/43/76/823884376.db2.gz DCDIJSZNRVTNKI-HBGVWJBISA-N 1 0 376.504 4.056 20 0 GIADRO C[C@H]([NH2+][C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1)c1cncc(Br)c1 ZINC000575003665 823884471 /nfs/dbraw/zinc/88/44/71/823884471.db2.gz UCELUAPSVVHGHD-NBHSMZAVSA-N 1 0 396.279 4.218 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1)c1cncc(Br)c1 ZINC000575003667 823884527 /nfs/dbraw/zinc/88/45/27/823884527.db2.gz UCELUAPSVVHGHD-UZCIPKQKSA-N 1 0 396.279 4.218 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccccc1Br ZINC000462232259 823885397 /nfs/dbraw/zinc/88/53/97/823885397.db2.gz HPGDPVBNTNVHCZ-KDOFPFPSSA-N 1 0 388.309 4.091 20 0 GIADRO CC[NH+]1CCC(CNC(=O)N(Cc2ccccc2)Cc2ccc(F)cc2)CC1 ZINC000575009868 823886303 /nfs/dbraw/zinc/88/63/03/823886303.db2.gz ZGDPPCTWBVKTDI-UHFFFAOYSA-N 1 0 383.511 4.269 20 0 GIADRO Cc1nccn1-c1ccc(C[NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)cn1 ZINC000126507984 823887103 /nfs/dbraw/zinc/88/71/03/823887103.db2.gz HCLYGZYPRVWYSS-SFHVURJKSA-N 1 0 388.393 4.251 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2ccc(C)cc2OC[C@@H]2CCOC2)c1 ZINC000167160742 823887467 /nfs/dbraw/zinc/88/74/67/823887467.db2.gz LIRMPNIYCYQITN-PKOBYXMFSA-N 1 0 382.504 4.220 20 0 GIADRO FC(F)(F)CN1CC[C@H](C[NH2+]Cc2ccc(Br)c(Cl)c2)C1 ZINC000192166061 823888497 /nfs/dbraw/zinc/88/84/97/823888497.db2.gz FREIUZDHMJNHHO-LLVKDONJSA-N 1 0 385.655 4.076 20 0 GIADRO Clc1cc(C[NH2+]C2CCN(c3ccccn3)CC2)ccc1Br ZINC000192165948 823888522 /nfs/dbraw/zinc/88/85/22/823888522.db2.gz KIRJBTSTPBKSSU-UHFFFAOYSA-N 1 0 380.717 4.256 20 0 GIADRO COCc1cc([C@H](C)[NH2+]Cc2ccc(C)cc2OC[C@H]2CCOC2)ccc1OC ZINC000167202615 823888835 /nfs/dbraw/zinc/88/88/35/823888835.db2.gz AHERMLIJNHDENO-OALUTQOASA-N 1 0 399.531 4.416 20 0 GIADRO COc1ccc([C@H](C)[NH2+]Cc2ccc(C)cc2OC[C@H]2CCOC2)cc1OC ZINC000167211988 823888856 /nfs/dbraw/zinc/88/88/56/823888856.db2.gz HXGNGFVAFNWGSX-ROUUACIJSA-N 1 0 385.504 4.278 20 0 GIADRO FC(F)(F)Oc1cccc(CC[NH+]2CCC(c3noc(C4CC4)n3)CC2)c1 ZINC000462236525 823888976 /nfs/dbraw/zinc/88/89/76/823888976.db2.gz RKDDWJLEHATCFG-UHFFFAOYSA-N 1 0 381.398 4.268 20 0 GIADRO CCC1CCC([N@H+](Cc2nc3cc(C(=O)OC)ccc3c(=O)[nH]2)C2CC2)CC1 ZINC000064808761 823889766 /nfs/dbraw/zinc/88/97/66/823889766.db2.gz SEUHRCUHYDIWAI-UHFFFAOYSA-N 1 0 383.492 4.055 20 0 GIADRO COc1ccc2c(c1F)CC[C@@H]2[NH2+]Cc1ccc(NC(=O)c2cccnc2)cc1 ZINC000575020885 823890042 /nfs/dbraw/zinc/89/00/42/823890042.db2.gz HFUQIWBZPRMNJR-FQEVSTJZSA-N 1 0 391.446 4.259 20 0 GIADRO C[C@H](CCc1ccco1)[NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1 ZINC000167359885 823891161 /nfs/dbraw/zinc/89/11/61/823891161.db2.gz HECADQSOMQEXFL-QGZVFWFLSA-N 1 0 378.476 4.107 20 0 GIADRO CCN(CC)[C@H](C[NH2+]Cc1ccccc1N1CCO[C@H](C)C1)c1ccsc1 ZINC000575023417 823891207 /nfs/dbraw/zinc/89/12/07/823891207.db2.gz GENPJISEQZCRFR-XMSQKQJNSA-N 1 0 387.593 4.146 20 0 GIADRO O=C(Nc1ccc2c(c1)C[NH2+]C2)N1CCC[C@H](COc2ccccc2Cl)C1 ZINC000575023513 823891257 /nfs/dbraw/zinc/89/12/57/823891257.db2.gz MPNKNWDAMXEHHR-HNNXBMFYSA-N 1 0 385.895 4.266 20 0 GIADRO NC(=O)C1CC[NH+](CCc2ccc(NCc3cccc4ccccc43)cc2)CC1 ZINC000126527612 823891508 /nfs/dbraw/zinc/89/15/08/823891508.db2.gz BLAHPGRWBNGMHD-UHFFFAOYSA-N 1 0 387.527 4.192 20 0 GIADRO COCc1cc([C@H](C)[NH2+][C@H]2CCN(c3c(F)cccc3F)C2)ccc1OC ZINC000167493712 823892498 /nfs/dbraw/zinc/89/24/98/823892498.db2.gz NFXYZCPEVAQMFN-YOEHRIQHSA-N 1 0 376.447 4.049 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1cccc(-c2nccs2)c1 ZINC000462244606 823894018 /nfs/dbraw/zinc/89/40/18/823894018.db2.gz LJZINIBBLIKMNV-OXJNMPFZSA-N 1 0 392.528 4.452 20 0 GIADRO Cc1ccc(C[NH2+][C@H](C)c2ccc(NS(C)(=O)=O)cc2)c(OC(C)C)c1 ZINC000167695183 823894701 /nfs/dbraw/zinc/89/47/01/823894701.db2.gz RJKKNHFGNBIBGW-MRXNPFEDSA-N 1 0 376.522 4.005 20 0 GIADRO C[C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1cccc(Br)c1 ZINC000462246949 823895689 /nfs/dbraw/zinc/89/56/89/823895689.db2.gz NARGQCYTXXBRKW-URLQWDBASA-N 1 0 391.353 4.028 20 0 GIADRO C[C@@H](NCC(C)(C)[NH2+][C@H](C)c1ccccc1)c1ccc(N2CCOC2=O)cc1 ZINC000167853582 823897216 /nfs/dbraw/zinc/89/72/16/823897216.db2.gz KYXUIAOQZUSNKF-QZTJIDSGSA-N 1 0 381.520 4.423 20 0 GIADRO CS(=O)(=O)Cc1cccc(C[NH2+][C@H]2CC[C@@H](c3cccc(Cl)c3)C2)c1 ZINC000414062577 823899159 /nfs/dbraw/zinc/89/91/59/823899159.db2.gz BWJZRJHPLVREIC-QUCCMNQESA-N 1 0 377.937 4.311 20 0 GIADRO COC(=O)c1cnc([C@H](C)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)s1 ZINC000414065017 823899297 /nfs/dbraw/zinc/89/92/97/823899297.db2.gz OCEWHRRFAKLXNE-CVEARBPZSA-N 1 0 387.549 4.012 20 0 GIADRO COc1ccc(C[NH2+]Cc2ccc(OC(F)F)c(F)c2)cc1OC(F)F ZINC000168015749 823899584 /nfs/dbraw/zinc/89/95/84/823899584.db2.gz MQFNEZDCXFIQLB-UHFFFAOYSA-N 1 0 377.309 4.327 20 0 GIADRO C[C@H](NCC1([NH+]2CCCCC2)CCOCC1)c1csc(-c2ccccc2)n1 ZINC000414067518 823900164 /nfs/dbraw/zinc/90/01/64/823900164.db2.gz ALASGDRQBGRRTD-SFHVURJKSA-N 1 0 385.577 4.496 20 0 GIADRO CC(C)c1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)CCCO2 ZINC000126566976 823900602 /nfs/dbraw/zinc/90/06/02/823900602.db2.gz JTWNWEQMNVBQII-QFIPXVFZSA-N 1 0 396.531 4.281 20 0 GIADRO C[C@@H]([NH2+]CC1(N(C)C)CCOCC1)c1ccc(SCC(F)(F)F)cc1 ZINC000168262926 823901279 /nfs/dbraw/zinc/90/12/79/823901279.db2.gz QSPUTPKKHDWUAO-CQSZACIVSA-N 1 0 376.488 4.102 20 0 GIADRO CC(C)c1ccc2c(c1)[C@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)CCCO2 ZINC000126571530 823902089 /nfs/dbraw/zinc/90/20/89/823902089.db2.gz IRPIBJXDPQXYQD-OAQYLSRUSA-N 1 0 387.545 4.358 20 0 GIADRO O[C@H](C[NH2+]Cc1ccc(OC(F)F)c(F)c1)c1cccc(C(F)(F)F)c1 ZINC000168285800 823902161 /nfs/dbraw/zinc/90/21/61/823902161.db2.gz YFJHZFDUUNQRKG-CQSZACIVSA-N 1 0 379.300 4.269 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1cccc(N2CCCC2)c1)c1ccc(NS(C)(=O)=O)cc1 ZINC000168361332 823902486 /nfs/dbraw/zinc/90/24/86/823902486.db2.gz WKFNXPJHCGXOHP-IAGOWNOFSA-N 1 0 387.549 4.070 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(NS(C)(=O)=O)cc1)c1cccc(N2CCCC2)c1 ZINC000168361221 823902651 /nfs/dbraw/zinc/90/26/51/823902651.db2.gz WKFNXPJHCGXOHP-DLBZAZTESA-N 1 0 387.549 4.070 20 0 GIADRO COC(=O)c1cnc([C@H](C)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)s1 ZINC000414075791 823902685 /nfs/dbraw/zinc/90/26/85/823902685.db2.gz XVHZUWLRARZDFV-HOTGVXAUSA-N 1 0 387.549 4.155 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2CCN(c3cc(C)cc(C)c3)C2=O)c1 ZINC000064858268 823902811 /nfs/dbraw/zinc/90/28/11/823902811.db2.gz BAZBWQZNGPOPOA-QFIPXVFZSA-N 1 0 393.531 4.137 20 0 GIADRO Cc1cc(/C=C(/C#N)C(=O)NCc2cccc(C[NH+](C)C)c2)c(C)n1CC(C)C ZINC000064860548 823902955 /nfs/dbraw/zinc/90/29/55/823902955.db2.gz PUBVXSOJJDAXNR-FMCGGJTJSA-N 1 0 392.547 4.046 20 0 GIADRO Cc1ccc([C@H](C[NH2+][C@@H](C)c2csc(-c3ccccc3)n2)N2CCOCC2)o1 ZINC000414077831 823903227 /nfs/dbraw/zinc/90/32/27/823903227.db2.gz ZJYSIIGSGBXGBJ-PXNSSMCTSA-N 1 0 397.544 4.436 20 0 GIADRO COc1cc(F)c([C@@H](C)[NH2+][C@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)cc1OC ZINC000168551126 823903488 /nfs/dbraw/zinc/90/34/88/823903488.db2.gz UMTSIHRMMITMPJ-CHWSQXEVSA-N 1 0 386.467 4.484 20 0 GIADRO COC(=O)c1cnc([C@H](C)[NH2+]CCCOc2ccc(Cl)cc2Cl)s1 ZINC000414081103 823904271 /nfs/dbraw/zinc/90/42/71/823904271.db2.gz UEVCFQBDKINZID-JTQLQIEISA-N 1 0 389.304 4.356 20 0 GIADRO Cc1cccc(OC(F)F)c1NC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000462262598 823904347 /nfs/dbraw/zinc/90/43/47/823904347.db2.gz MEDMBQLMMLRCQY-DOTOQJQBSA-N 1 0 389.446 4.238 20 0 GIADRO COCc1cc([C@H](C)[NH2+][C@@H](C)c2cc(OC)c(OC)cc2F)ccc1OC ZINC000168585665 823904507 /nfs/dbraw/zinc/90/45/07/823904507.db2.gz JYDHJINBBFTUMI-KBPBESRZSA-N 1 0 377.456 4.410 20 0 GIADRO COc1cc(F)c([C@@H](C)[NH2+]C2CCC3(CC2)C(=O)Nc2ccccc23)cc1OC ZINC000168603855 823905219 /nfs/dbraw/zinc/90/52/19/823905219.db2.gz WJNVRDMJLGWIHG-TYISYKOQSA-N 1 0 398.478 4.326 20 0 GIADRO CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CCN(C(=O)CCc3ccccc3)CC2)C1(C)C ZINC000414086328 823906193 /nfs/dbraw/zinc/90/61/93/823906193.db2.gz ZHQYGFZKFPLMGO-LEWJYISDSA-N 1 0 386.580 4.182 20 0 GIADRO O=C(NCCc1nc(C2CCCCC2)cs1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000168838149 823906823 /nfs/dbraw/zinc/90/68/23/823906823.db2.gz DRGUFZOADGSMPC-UHFFFAOYSA-N 1 0 397.588 4.171 20 0 GIADRO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc(Cl)cc1Cl ZINC000192219746 823907535 /nfs/dbraw/zinc/90/75/35/823907535.db2.gz YFSAAVVYQKPRCX-QGZVFWFLSA-N 1 0 393.314 4.014 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1COc2ccccc21 ZINC000169097479 823908454 /nfs/dbraw/zinc/90/84/54/823908454.db2.gz FEQMNPRRPZTMFA-SMDDNHRTSA-N 1 0 377.238 4.012 20 0 GIADRO CC(C)(C)C[C@H]([NH2+]C[C@@H](O)C1CCOCC1)c1ccc(Br)cc1 ZINC000414097682 823908709 /nfs/dbraw/zinc/90/87/09/823908709.db2.gz PPDSKQIAIXPJDF-ZWKOTPCHSA-N 1 0 384.358 4.304 20 0 GIADRO C[C@@H]([NH2+]CCCN1C(=O)COc2ccccc21)c1csc(-c2ccccc2)n1 ZINC000414096429 823908734 /nfs/dbraw/zinc/90/87/34/823908734.db2.gz QPCXNEFYQRERFA-MRXNPFEDSA-N 1 0 393.512 4.276 20 0 GIADRO COc1cc(C[NH2+][C@H](C)[C@@H]2COc3ccccc32)ccc1OCC(F)(F)F ZINC000169111867 823908879 /nfs/dbraw/zinc/90/88/79/823908879.db2.gz KQOXRNDYNSJMDZ-CJNGLKHVSA-N 1 0 381.394 4.291 20 0 GIADRO COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)cn1 ZINC000414099632 823909313 /nfs/dbraw/zinc/90/93/13/823909313.db2.gz KSVLVYUOKNUJKB-LFRPXUGBSA-N 1 0 391.918 4.096 20 0 GIADRO COCCC[C@H]([NH2+]C[C@](C)(O)c1ccccc1)c1ccc(Br)cc1 ZINC000169141880 823909407 /nfs/dbraw/zinc/90/94/07/823909407.db2.gz JQMNKVNSQVFBLJ-PMACEKPBSA-N 1 0 392.337 4.414 20 0 GIADRO CCN1CC[C@H]([NH2+][C@H](C)c2cc3n(n2)CCC3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000414100280 823909577 /nfs/dbraw/zinc/90/95/77/823909577.db2.gz KZNKKJQGCIFDOR-ORPRQENYSA-N 1 0 376.907 4.108 20 0 GIADRO Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=O)CC1CC[NH2+]CC1 ZINC000169218608 823909756 /nfs/dbraw/zinc/90/97/56/823909756.db2.gz QKDXJSHEIRPSLU-UHFFFAOYSA-N 1 0 380.467 4.016 20 0 GIADRO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000414106170 823911386 /nfs/dbraw/zinc/91/13/86/823911386.db2.gz QQZWWNQMDHIFDS-SYNHAJSKSA-N 1 0 381.907 4.364 20 0 GIADRO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000414106168 823911400 /nfs/dbraw/zinc/91/14/00/823911400.db2.gz QQZWWNQMDHIFDS-MDYRTPRTSA-N 1 0 381.907 4.364 20 0 GIADRO Cc1cnn([C@H]2CCN([C@H](c3nc(-c4ccccc4)no3)c3ccccc3)C2)c1 ZINC000575097938 823911752 /nfs/dbraw/zinc/91/17/52/823911752.db2.gz UTYFTWSAFCGZDK-SFTDATJTSA-N 1 0 385.471 4.278 20 0 GIADRO c1nc(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)sc1-c1ccccc1 ZINC000126616717 823912235 /nfs/dbraw/zinc/91/22/35/823912235.db2.gz ONLRIEZWQLELLM-QGZVFWFLSA-N 1 0 375.501 4.232 20 0 GIADRO C[C@@H](CNC(=O)c1cnc(-c2ccccc2Cl)s1)[N@@H+]1CCCC[C@@H]1C ZINC000064916814 823912242 /nfs/dbraw/zinc/91/22/42/823912242.db2.gz WPPACGBSPIWYKD-KBPBESRZSA-N 1 0 377.941 4.456 20 0 GIADRO CC(C)Oc1ccccc1CC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000575100749 823913120 /nfs/dbraw/zinc/91/31/20/823913120.db2.gz NYABLUSPLYXMCL-JOCHJYFZSA-N 1 0 394.559 4.435 20 0 GIADRO COc1cccc(CN(CC[NH+](C)C)C(=O)Nc2ccc(OCC3CC3)cc2)c1 ZINC000192241255 823913188 /nfs/dbraw/zinc/91/31/88/823913188.db2.gz BONPUEJLEGXFNE-UHFFFAOYSA-N 1 0 397.519 4.080 20 0 GIADRO CCOc1ccc(F)c(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1F ZINC000462290049 823913698 /nfs/dbraw/zinc/91/36/98/823913698.db2.gz KRKXXGVJMWCFJE-RHSMWYFYSA-N 1 0 389.446 4.006 20 0 GIADRO COc1ccc(CN(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)[C@@H](C)C2CC2)cc1 ZINC000575106915 823914606 /nfs/dbraw/zinc/91/46/06/823914606.db2.gz FYDDKGODUASVBL-INIZCTEOSA-N 1 0 379.504 4.174 20 0 GIADRO COC(=O)c1cnc([C@H](C)[NH2+][C@H](COc2ccccc2F)C(C)(C)C)s1 ZINC000414126891 823915025 /nfs/dbraw/zinc/91/50/25/823915025.db2.gz RPQWTAJCSRMRSK-BLLLJJGKSA-N 1 0 380.485 4.213 20 0 GIADRO CCC(=O)N1CC[C@@H]([NH2+][C@@H]2CCCc3nc(-c4ccc(Cl)cc4)sc32)C1 ZINC000126632590 823915528 /nfs/dbraw/zinc/91/55/28/823915528.db2.gz KPGZLLVWYMHMKK-HZPDHXFCSA-N 1 0 389.952 4.441 20 0 GIADRO COC(=O)c1cnc([C@H](C)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)s1 ZINC000414128410 823915878 /nfs/dbraw/zinc/91/58/78/823915878.db2.gz UBGVZBJNGJUQMM-HOTGVXAUSA-N 1 0 387.549 4.244 20 0 GIADRO C[C@H](CCCc1cccnc1)[NH2+][C@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000414137884 823917627 /nfs/dbraw/zinc/91/76/27/823917627.db2.gz FLCQDJJAGIGXDA-RTBURBONSA-N 1 0 378.520 4.456 20 0 GIADRO COC(=O)c1cnc([C@H](C)[NH2+]CC2(c3ccc(C(F)(F)F)cc3)CC2)s1 ZINC000414144995 823918379 /nfs/dbraw/zinc/91/83/79/823918379.db2.gz ULJSOOUSPSKGOD-NSHDSACASA-N 1 0 384.423 4.331 20 0 GIADRO COCc1nc(C[NH2+][C@H](C)Cc2ccc(OC)nc2)c(-c2ccccc2)s1 ZINC000414150113 823918678 /nfs/dbraw/zinc/91/86/78/823918678.db2.gz OYTPQYIIJOQFPW-OAHLLOKOSA-N 1 0 383.517 4.081 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]C2CCN(Cc3ccc(NC(C)=O)cc3)CC2)c(C)c1 ZINC000414156425 823919681 /nfs/dbraw/zinc/91/96/81/823919681.db2.gz WMSDLEVTEREAIP-GOSISDBHSA-N 1 0 395.547 4.277 20 0 GIADRO Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]CCc1nnc2n1CCCCC2 ZINC000126652313 823920006 /nfs/dbraw/zinc/92/00/06/823920006.db2.gz WZFAZEQJAYSGMC-INIZCTEOSA-N 1 0 395.576 4.254 20 0 GIADRO CS(=O)(=O)c1ccc(F)c(C[NH2+][C@H]2CC[C@H](c3cccc(Cl)c3)C2)c1 ZINC000414160029 823920608 /nfs/dbraw/zinc/92/06/08/823920608.db2.gz ZBNQEUIIAVFXSW-YOEHRIQHSA-N 1 0 381.900 4.309 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)NC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000575140211 823921716 /nfs/dbraw/zinc/92/17/16/823921716.db2.gz KKPJUDFUMRUNQM-GOSISDBHSA-N 1 0 388.515 4.268 20 0 GIADRO CCN1CC[C@@H]([NH2+]Cc2cc(C)c(C(=O)OC)o2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000575140315 823921774 /nfs/dbraw/zinc/92/17/74/823921774.db2.gz PLWXWHIQRBGZPO-MSOLQXFVSA-N 1 0 394.874 4.092 20 0 GIADRO CCC[C@@H]([NH2+]C[C@@H](CO)Cc1cc(F)cc(Br)c1)c1cccnc1 ZINC000414171915 823922102 /nfs/dbraw/zinc/92/21/02/823922102.db2.gz DLFPORSUVVPYIH-HNAYVOBHSA-N 1 0 395.316 4.265 20 0 GIADRO Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]CCc1nnc2n1CCCCC2 ZINC000126665915 823922290 /nfs/dbraw/zinc/92/22/90/823922290.db2.gz IOFZVHYPUOVNAV-IBGZPJMESA-N 1 0 380.561 4.491 20 0 GIADRO COc1ccc([C@@H](CO)C[NH2+][C@H](C)c2ccc(Oc3ccccc3)cn2)cc1 ZINC000414176061 823923202 /nfs/dbraw/zinc/92/32/02/823923202.db2.gz IWXSULPKPSBBJT-IEBWSBKVSA-N 1 0 378.472 4.309 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1cc(C(F)(F)F)ccc1F ZINC000126668363 823923346 /nfs/dbraw/zinc/92/33/46/823923346.db2.gz ZGPRMILXQOMICP-UHFFFAOYSA-N 1 0 395.400 4.228 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+][C@H]2c3sccc3OC(C)(C)[C@@H]2O)cc1OCC ZINC000414181254 823924051 /nfs/dbraw/zinc/92/40/51/823924051.db2.gz LZZQLHNXQXWDEF-YHJVDBJQSA-N 1 0 391.533 4.469 20 0 GIADRO COc1ccc([C@H](CO)C[NH2+][C@@H](C)c2sc(Cc3ccccc3)nc2C)cc1 ZINC000414184766 823924409 /nfs/dbraw/zinc/92/44/09/823924409.db2.gz OHJWXQOUUWTNBH-JXFKEZNVSA-N 1 0 396.556 4.478 20 0 GIADRO CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000126675847 823924855 /nfs/dbraw/zinc/92/48/55/823924855.db2.gz OHMQPFAGCTWPPX-KURKYZTESA-N 1 0 390.325 4.168 20 0 GIADRO CC(=O)Nc1ccc(C[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)cc1 ZINC000065014605 823924913 /nfs/dbraw/zinc/92/49/13/823924913.db2.gz NKVWESDXBGGBLI-UHFFFAOYSA-N 1 0 388.393 4.139 20 0 GIADRO Cc1[nH]c2ccc(CNC(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc2c1C ZINC000065014784 823924929 /nfs/dbraw/zinc/92/49/29/823924929.db2.gz PJRSVDUQSBOYAL-UHFFFAOYSA-N 1 0 390.531 4.249 20 0 GIADRO COC1CCC([NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)CC1 ZINC000414190161 823925029 /nfs/dbraw/zinc/92/50/29/823925029.db2.gz SPRCYDRSWFWWCA-ACBHZAAOSA-N 1 0 382.342 4.464 20 0 GIADRO O=C(Nc1cccc(Oc2ccccn2)c1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000575152534 823925085 /nfs/dbraw/zinc/92/50/85/823925085.db2.gz DOJMKZNNERIRLV-XLIONFOSSA-N 1 0 380.492 4.260 20 0 GIADRO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000170647277 823925509 /nfs/dbraw/zinc/92/55/09/823925509.db2.gz KAQHAGNVSUVYAA-FQEVSTJZSA-N 1 0 397.519 4.007 20 0 GIADRO COCC[C@@H](C)C[NH2+][C@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414200159 823927280 /nfs/dbraw/zinc/92/72/80/823927280.db2.gz LNANNVIXXPXXNJ-VXGBXAGGSA-N 1 0 380.838 4.338 20 0 GIADRO COc1ccc([C@@H](CO)C[NH2+][C@H](c2ccc(Br)s2)C2CC2)cc1 ZINC000414201180 823927494 /nfs/dbraw/zinc/92/74/94/823927494.db2.gz YFYJSBFBJPZNAV-KDOFPFPSSA-N 1 0 396.350 4.336 20 0 GIADRO COCC[C@H](C)C[NH2+][C@@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000414201816 823927519 /nfs/dbraw/zinc/92/75/19/823927519.db2.gz MIMRQMGPWOSMTN-RYUDHWBXSA-N 1 0 380.838 4.338 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)c2ccc(OC)cc2C)c1 ZINC000414209628 823929046 /nfs/dbraw/zinc/92/90/46/823929046.db2.gz LJXUMXUBNFQREG-AWEZNQCLSA-N 1 0 381.925 4.301 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H]2CCCc3ccc(O)cc32)c1 ZINC000414207918 823929233 /nfs/dbraw/zinc/92/92/33/823929233.db2.gz HYEYRTVKYKBDRS-IBGZPJMESA-N 1 0 379.909 4.006 20 0 GIADRO CCOc1ccc(OC)cc1NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000192279184 823930253 /nfs/dbraw/zinc/93/02/53/823930253.db2.gz RNGSIUDLSFAPTO-UHFFFAOYSA-N 1 0 382.504 4.335 20 0 GIADRO CCN(CCC[NH+]1CCCC1)C(=O)Nc1c(F)cc(F)cc1Br ZINC000192280116 823931096 /nfs/dbraw/zinc/93/10/96/823931096.db2.gz AUGGPALMBXXZJQ-UHFFFAOYSA-N 1 0 390.272 4.067 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H]2CCCc3ccc(F)cc32)c1 ZINC000414213751 823931147 /nfs/dbraw/zinc/93/11/47/823931147.db2.gz ULBDYTVWHVTNHM-IBGZPJMESA-N 1 0 381.900 4.440 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]C2CC(c3ccc(F)cc3)C2)c1 ZINC000414216228 823931747 /nfs/dbraw/zinc/93/17/47/823931747.db2.gz ZGWYAXWESFUSHG-UHFFFAOYSA-N 1 0 381.900 4.309 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H]2CCCOc3ccc(C)cc32)c1 ZINC000414215835 823931753 /nfs/dbraw/zinc/93/17/53/823931753.db2.gz YHFSLBXHSMFFQN-LJQANCHMSA-N 1 0 393.936 4.446 20 0 GIADRO CCOc1ccccc1Oc1ccc(C[NH2+]C[C@H](O)Cc2ccc(F)cc2)cn1 ZINC000575174812 823931874 /nfs/dbraw/zinc/93/18/74/823931874.db2.gz UQNXVBZIXINTTI-HXUWFJFHSA-N 1 0 396.462 4.105 20 0 GIADRO COCCOc1cccc(C(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)c1 ZINC000065062267 823932016 /nfs/dbraw/zinc/93/20/16/823932016.db2.gz XXDSXOZXKRQGAD-UHFFFAOYSA-N 1 0 382.504 4.196 20 0 GIADRO C[C@H]([NH2+]CC1(c2c(F)cccc2F)CCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000414224735 823933025 /nfs/dbraw/zinc/93/30/25/823933025.db2.gz AYTNSUBMKNHGTO-AWEZNQCLSA-N 1 0 379.472 4.141 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N[C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000170676336 823934429 /nfs/dbraw/zinc/93/44/29/823934429.db2.gz JZIKCHKDQHWFOH-PKTZIBPZSA-N 1 0 393.531 4.002 20 0 GIADRO COc1ccc([C@H](Cc2ccccc2)NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000462348425 823934687 /nfs/dbraw/zinc/93/46/87/823934687.db2.gz ONAGXNMKWKRIAM-HARLFGEKSA-N 1 0 395.547 4.103 20 0 GIADRO COc1ccc([C@H](Cc2ccccc2)NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000462348427 823934815 /nfs/dbraw/zinc/93/48/15/823934815.db2.gz ONAGXNMKWKRIAM-ZEYPLWLESA-N 1 0 395.547 4.103 20 0 GIADRO CO[C@](C)([C@H](C)[NH2+]C1CCN(Cc2ccccc2Br)CC1)C1CC1 ZINC000414234371 823935169 /nfs/dbraw/zinc/93/51/69/823935169.db2.gz JDLBQQBAZPHQPY-MGPUTAFESA-N 1 0 395.385 4.207 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)cn1 ZINC000414236402 823936267 /nfs/dbraw/zinc/93/62/67/823936267.db2.gz AFHAEZIVTMCSLI-GDIGMMSISA-N 1 0 395.425 4.156 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@H](C)c2cccc(OC(F)(F)F)c2)cn1 ZINC000414236984 823936438 /nfs/dbraw/zinc/93/64/38/823936438.db2.gz AQQIVEXPNPQSQL-QIIPPGSGSA-N 1 0 383.414 4.230 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@H](C)c2ccc(-c3ccncc3)cc2)cn1 ZINC000414240670 823937412 /nfs/dbraw/zinc/93/74/12/823937412.db2.gz DZLWJFDXBYJOBO-FRGLQRNOSA-N 1 0 376.504 4.393 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@@H](C)Cc2ccc(C(F)(F)F)cc2)cn1 ZINC000414241282 823937527 /nfs/dbraw/zinc/93/75/27/823937527.db2.gz FUUILDZIHSUMKU-URLQWDBASA-N 1 0 381.442 4.220 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@@H](C)c2ccc(Br)s2)cn1 ZINC000414240187 823937609 /nfs/dbraw/zinc/93/76/09/823937609.db2.gz DORWOFBUBGPUEA-MQIPJXDCSA-N 1 0 384.343 4.155 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@@H](C)c2ccc(F)c(Br)c2)cn1 ZINC000414241580 823937828 /nfs/dbraw/zinc/93/78/28/823937828.db2.gz GIZMEIMGXNYUTR-XAYKYTGQSA-N 1 0 396.304 4.233 20 0 GIADRO CC[NH+](CC)CC(=O)Nc1cccc(N[C@H](C)c2ccc(OC)c(OC)c2)c1 ZINC000575206017 823938991 /nfs/dbraw/zinc/93/89/91/823938991.db2.gz AUQMQWLGRUDWFU-MRXNPFEDSA-N 1 0 385.508 4.157 20 0 GIADRO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CC1(c2c(F)cccc2F)CCC1 ZINC000414245976 823939905 /nfs/dbraw/zinc/93/99/05/823939905.db2.gz UEBOIWVXGNODDW-UTKZUKDTSA-N 1 0 385.502 4.282 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1cc(Cl)c(N)c(Cl)c1)c1ccc(F)cc1 ZINC000192301386 823939948 /nfs/dbraw/zinc/93/99/48/823939948.db2.gz IZCABKKTXWZQDC-OAHLLOKOSA-N 1 0 385.270 4.139 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1cc(-c2ccccc2)nc2cc(F)ccc21)C1CC1 ZINC000065088342 823940032 /nfs/dbraw/zinc/94/00/32/823940032.db2.gz VOVCIPHHQAJDSQ-QFIPXVFZSA-N 1 0 377.463 4.111 20 0 GIADRO Clc1cc(Br)ccc1C[NH2+]CCN1CCc2sccc2C1 ZINC000462363642 823941508 /nfs/dbraw/zinc/94/15/08/823941508.db2.gz ZCZNGJPAGRDJMS-UHFFFAOYSA-N 1 0 385.758 4.312 20 0 GIADRO O=C(c1ccc2[nH]c3c(c2c1)CCCC3)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000126765428 823945734 /nfs/dbraw/zinc/94/57/34/823945734.db2.gz HGZCIXWJGSTWCP-UZUQRXQVSA-N 1 0 377.532 4.136 20 0 GIADRO CC(C)Oc1ccc([C@@H]2CCC[C@H]2[NH2+]Cc2ccccc2S(C)(=O)=O)cc1 ZINC000414267168 823946653 /nfs/dbraw/zinc/94/66/53/823946653.db2.gz WJCNCSPKENIBGM-LEWJYISDSA-N 1 0 387.545 4.303 20 0 GIADRO Cc1nc2cc(C(=O)NC[C@@H]3CCCC[N@H+](Cc4ccccc4)C3)ccc2o1 ZINC000575227436 823947040 /nfs/dbraw/zinc/94/70/40/823947040.db2.gz PEAHZGQADQLTNX-IBGZPJMESA-N 1 0 377.488 4.168 20 0 GIADRO Cc1ccc(-c2nnc(NC(=O)c3ccccc3OCC[NH+](C)C)s2)c(C)c1 ZINC000065122615 823947706 /nfs/dbraw/zinc/94/77/06/823947706.db2.gz HCYCFPWOVFZKTR-UHFFFAOYSA-N 1 0 396.516 4.015 20 0 GIADRO C[NH+](C)CCN(C(=O)c1csc(Cc2ccc(F)cc2)n1)c1ccccc1 ZINC000170706543 823948153 /nfs/dbraw/zinc/94/81/53/823948153.db2.gz ZKICJUQABYRWJY-UHFFFAOYSA-N 1 0 383.492 4.081 20 0 GIADRO CN(C(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000126780534 823949298 /nfs/dbraw/zinc/94/92/98/823949298.db2.gz JTFCJLWPMNOBKZ-MOPGFXCFSA-N 1 0 398.469 4.493 20 0 GIADRO C[C@@H]1CN(CCC(=O)Nc2ccccc2Cl)C[C@H](c2ccc(F)cc2)O1 ZINC000126780532 823949565 /nfs/dbraw/zinc/94/95/65/823949565.db2.gz PKXWXBXAANVACQ-AUUYWEPGSA-N 1 0 376.859 4.270 20 0 GIADRO CCCCNC(=O)c1ccc(C[NH2+]Cc2cn(-c3cccc(F)c3)nc2C)cc1 ZINC000414276922 823950140 /nfs/dbraw/zinc/95/01/40/823950140.db2.gz AOAXHYHGIPTXDC-UHFFFAOYSA-N 1 0 394.494 4.140 20 0 GIADRO Cc1nc(C(C)(C)[NH2+]C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)sc1C ZINC000126784454 823950431 /nfs/dbraw/zinc/95/04/31/823950431.db2.gz QQDQCTVUZKRXBH-GUYCJALGSA-N 1 0 382.957 4.377 20 0 GIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2csc(Br)c2)C1 ZINC000065140476 823950752 /nfs/dbraw/zinc/95/07/52/823950752.db2.gz YMGUXXUXIRUORD-SWLSCSKDSA-N 1 0 379.323 4.076 20 0 GIADRO C[C@@H]([NH2+]C[C@@H]1CCCN(Cc2cccs2)C1)c1ccc(N2CCOC2=O)cc1 ZINC000126791034 823952054 /nfs/dbraw/zinc/95/20/54/823952054.db2.gz ZSIBZASLDKMAAW-MSOLQXFVSA-N 1 0 399.560 4.268 20 0 GIADRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1ccoc1Cl ZINC000192343696 823954049 /nfs/dbraw/zinc/95/40/49/823954049.db2.gz JBLNSENQYMEGNE-MRXNPFEDSA-N 1 0 384.867 4.137 20 0 GIADRO Cc1ccc2nc(C)c(C(=O)N(Cc3ccccn3)[C@@H]3CCC[NH2+]CC3)cc2c1 ZINC000575319990 823954682 /nfs/dbraw/zinc/95/46/82/823954682.db2.gz JSCZDDBQYBYZSV-OAQYLSRUSA-N 1 0 388.515 4.031 20 0 GIADRO Cc1ccc(C[N@@H+](CC(=O)NCc2ccc(OC(F)F)cc2)C(C)C)s1 ZINC000065161938 823954915 /nfs/dbraw/zinc/95/49/15/823954915.db2.gz JVQLQRHUGPPPQQ-UHFFFAOYSA-N 1 0 382.476 4.185 20 0 GIADRO CCC(CC)[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)c1cccs1 ZINC000414309665 823955355 /nfs/dbraw/zinc/95/53/55/823955355.db2.gz VJAHUPXFBOXQLA-KRWDZBQOSA-N 1 0 386.970 4.316 20 0 GIADRO C[C@H]([NH2+][C@H]1CCN(C(=O)C2CCCC2)C1)c1ccc(F)c(Br)c1 ZINC000126808115 823956133 /nfs/dbraw/zinc/95/61/33/823956133.db2.gz DQYUFBPNTYYVQE-WFASDCNBSA-N 1 0 383.305 4.030 20 0 GIADRO O[C@@H](CSc1nccn1-c1cccc(Cl)c1)C[N@@H+]1CCc2ccccc2C1 ZINC000065169958 823956151 /nfs/dbraw/zinc/95/61/51/823956151.db2.gz XVGVFCNBUIWAGN-HXUWFJFHSA-N 1 0 399.947 4.037 20 0 GIADRO COCCCC[N@H+](CC(=O)Nc1cccc2c1N=S=N2)Cc1ccccc1 ZINC000065165695 823956222 /nfs/dbraw/zinc/95/62/22/823956222.db2.gz CPQIDPBFCVDEER-UHFFFAOYSA-N 1 0 384.505 4.280 20 0 GIADRO COCCCC[N@H+](Cc1ccccc1)Cc1cc(=O)oc2c(C)c(O)ccc12 ZINC000065165625 823956332 /nfs/dbraw/zinc/95/63/32/823956332.db2.gz YJUKGAYXQWGMEA-UHFFFAOYSA-N 1 0 381.472 4.236 20 0 GIADRO c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H](NCc4nnc(C5CC5)s4)[C@@H]3C2)cc1 ZINC000414327557 823958897 /nfs/dbraw/zinc/95/88/97/823958897.db2.gz OSSDLRWMXRQLCF-ZCNNSNEGSA-N 1 0 382.577 4.196 20 0 GIADRO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@H]1CCC[C@@H](CO)C1 ZINC000414328222 823959236 /nfs/dbraw/zinc/95/92/36/823959236.db2.gz CIWPIIKLSXXSCM-UPJWGTAASA-N 1 0 392.849 4.217 20 0 GIADRO C[C@H](C[NH2+]Cc1ccc(S(C)(=O)=O)s1)c1c(Cl)cccc1Cl ZINC000414328629 823959248 /nfs/dbraw/zinc/95/92/48/823959248.db2.gz AQZVWOCDVDEEOL-SNVBAGLBSA-N 1 0 378.346 4.352 20 0 GIADRO O=C(C[NH2+][C@H]1CCCc2c(O)cccc21)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000192361362 823959388 /nfs/dbraw/zinc/95/93/88/823959388.db2.gz GEUUKTIRIWJTNF-HNNXBMFYSA-N 1 0 396.821 4.253 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](Cc3ccc(C)cc3)C2)c1 ZINC000575348622 823959943 /nfs/dbraw/zinc/95/99/43/823959943.db2.gz VCOXVNCDPNYLIE-NQIIRXRSSA-N 1 0 393.531 4.235 20 0 GIADRO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@H]1CCC[C@@H](CO)C1 ZINC000414331385 823959934 /nfs/dbraw/zinc/95/99/34/823959934.db2.gz FJWHXGDAOUEMMX-BZPMIXESSA-N 1 0 392.849 4.217 20 0 GIADRO C[C@H](OC[C@@H](O)C[NH2+][C@@H]1CCCc2c(O)cccc21)c1ccc(Cl)cc1 ZINC000192364518 823960090 /nfs/dbraw/zinc/96/00/90/823960090.db2.gz YBBHNUGOONGXTN-GZRFBZBPSA-N 1 0 375.896 4.151 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)C1(C2CC2)CCOCC1)c1ccccc1Cl ZINC000462403337 823960998 /nfs/dbraw/zinc/96/09/98/823960998.db2.gz QVXLQCYNAFEDEL-LJQANCHMSA-N 1 0 378.944 4.046 20 0 GIADRO COc1cccc([C@@H]2C[C@H]2C[NH2+][C@H](C)c2ccc(NC(=O)NC3CC3)cc2)c1 ZINC000414341922 823961324 /nfs/dbraw/zinc/96/13/24/823961324.db2.gz PBYKRANWXLZWTO-QRFQSNJMSA-N 1 0 379.504 4.433 20 0 GIADRO CCS(=O)(=O)CCC[NH2+][C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000414346825 823962261 /nfs/dbraw/zinc/96/22/61/823962261.db2.gz QFELZNZFVDYAOV-SNVBAGLBSA-N 1 0 391.377 4.200 20 0 GIADRO Cc1cncc([C@@H](C)[NH2+]C2CCN(Cc3cccc(Br)c3)CC2)c1 ZINC000414346369 823962347 /nfs/dbraw/zinc/96/23/47/823962347.db2.gz GAOURGLIOXAOGJ-MRXNPFEDSA-N 1 0 388.353 4.468 20 0 GIADRO Brc1ccccc1CN1CCC([NH2+][C@@H]2C[C@H]2c2ccco2)CC1 ZINC000414345977 823962386 /nfs/dbraw/zinc/96/23/86/823962386.db2.gz LSRLEUROINIHTC-SJLPKXTDSA-N 1 0 375.310 4.152 20 0 GIADRO C[C@]1(C[NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)OCCc2sccc21 ZINC000575367183 823963279 /nfs/dbraw/zinc/96/32/79/823963279.db2.gz PRVKGNYQDYPEGS-QGZVFWFLSA-N 1 0 389.414 4.406 20 0 GIADRO CC(=O)NCCc1ccc([C@H](C)[NH2+][C@H](C)Cc2cn(C)c3ccc(F)cc23)cc1 ZINC000414355157 823963380 /nfs/dbraw/zinc/96/33/80/823963380.db2.gz YJFDGIQQQJXBQX-SJORKVTESA-N 1 0 395.522 4.278 20 0 GIADRO C[C@@H]([NH2+]C[C@@H]1CCCN(Cc2cccs2)C1)c1cccc(N2CCCC2=O)c1 ZINC000126838905 823963445 /nfs/dbraw/zinc/96/34/45/823963445.db2.gz XUFANAKTFSQJOK-MOPGFXCFSA-N 1 0 397.588 4.438 20 0 GIADRO C[C@H](Cc1cn(C)c2ccc(F)cc12)[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000414356082 823963678 /nfs/dbraw/zinc/96/36/78/823963678.db2.gz ZVVWWCLHBHAYGG-CQSZACIVSA-N 1 0 385.449 4.255 20 0 GIADRO O=C(c1cc2cc(Br)ccc2o1)N1CCC([NH2+]C2CCCC2)CC1 ZINC000126841674 823964490 /nfs/dbraw/zinc/96/44/90/823964490.db2.gz LJVFZYALWUNLHL-UHFFFAOYSA-N 1 0 391.309 4.332 20 0 GIADRO CCc1cc(N2CCC([NH2+]Cc3ccc(C(F)(F)F)c(C)c3)CC2)ncn1 ZINC000414363069 823966004 /nfs/dbraw/zinc/96/60/04/823966004.db2.gz KVVQSIPZLBRNSF-UHFFFAOYSA-N 1 0 378.442 4.125 20 0 GIADRO CCC[C@H]([NH2+]CC(=O)Nc1cccc(C(=O)N(CC)CC)c1)c1ccccc1 ZINC000170768514 823965977 /nfs/dbraw/zinc/96/59/77/823965977.db2.gz VETVRMNHHGHCSD-NRFANRHFSA-N 1 0 381.520 4.238 20 0 GIADRO Cc1occc1C[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000414368653 823966840 /nfs/dbraw/zinc/96/68/40/823966840.db2.gz CMHAQPMKDDHOJJ-UHFFFAOYSA-N 1 0 377.282 4.201 20 0 GIADRO Cc1ccccc1[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)C(C)(C)C ZINC000414369386 823966892 /nfs/dbraw/zinc/96/68/92/823966892.db2.gz UJFMPKFJAYRXPQ-SFHVURJKSA-N 1 0 380.941 4.173 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[N@H+](CC(C)C)[C@@H]2CCCc3cccnc32)c1 ZINC000126851939 823966821 /nfs/dbraw/zinc/96/68/21/823966821.db2.gz FFJTYBPPWZXTSC-HXUWFJFHSA-N 1 0 397.519 4.073 20 0 GIADRO COCc1cc([C@H](C)[NH2+]C[C@H]2CCCN(Cc3cccs3)C2)ccc1OC ZINC000126858414 823968108 /nfs/dbraw/zinc/96/81/08/823968108.db2.gz ONTNDNIXOXVWQT-ZWKOTPCHSA-N 1 0 388.577 4.466 20 0 GIADRO CCc1nc(CN2CCC(C[NH2+][C@H](c3ncc[nH]3)c3ccccc3)CC2)cs1 ZINC000126864568 823969416 /nfs/dbraw/zinc/96/94/16/823969416.db2.gz DMNIUDFURANPAZ-NRFANRHFSA-N 1 0 395.576 4.020 20 0 GIADRO Cc1nc(C(F)(F)F)sc1C(=O)N[C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000462423957 823969800 /nfs/dbraw/zinc/96/98/00/823969800.db2.gz ZQGHKOAWSYNWOB-FZMZJTMJSA-N 1 0 385.455 4.200 20 0 GIADRO NS(=O)(=O)c1ccc(C[NH2+]C2(c3cccc(Cl)c3)CCCC2)cc1Cl ZINC000414382258 823969990 /nfs/dbraw/zinc/96/99/90/823969990.db2.gz RCKRIEZBUXUZEI-UHFFFAOYSA-N 1 0 399.343 4.200 20 0 GIADRO COC(=O)[C@H](Cc1ccccc1)[C@@H](C)[NH2+]Cc1csc(Cc2ccccc2)n1 ZINC000575441424 823971551 /nfs/dbraw/zinc/97/15/51/823971551.db2.gz AZDCISCHBQCBTF-DYESRHJHSA-N 1 0 394.540 4.244 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC000126875095 823971719 /nfs/dbraw/zinc/97/17/19/823971719.db2.gz UAQOPZGHWHDINT-UHFFFAOYSA-N 1 0 396.922 4.134 20 0 GIADRO Cn1cc(C[N@H+](C)[C@H](CCO)c2ccccc2)c(-c2cc3ccccc3o2)n1 ZINC000126894287 823975756 /nfs/dbraw/zinc/97/57/56/823975756.db2.gz JBHKXVDQARRGGW-HXUWFJFHSA-N 1 0 375.472 4.389 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1cc(Cl)cc2c1OCC2 ZINC000462440572 823976221 /nfs/dbraw/zinc/97/62/21/823976221.db2.gz SQBJOMSLOPICOQ-UHFFFAOYSA-N 1 0 388.895 4.248 20 0 GIADRO C[C@H](NC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1)c1ccccc1Cl ZINC000126904342 823977452 /nfs/dbraw/zinc/97/74/52/823977452.db2.gz BWEPMDOOCXRTHV-INIZCTEOSA-N 1 0 386.923 4.035 20 0 GIADRO O[C@@H](CO[C@@H]1CCCc2ccccc21)C[NH+]1CCC(OC2CCCCC2)CC1 ZINC000126915493 823979554 /nfs/dbraw/zinc/97/95/54/823979554.db2.gz KUZYQTPOVNWYJB-HYBUGGRVSA-N 1 0 387.564 4.255 20 0 GIADRO O=C(CCc1ccccc1OC(F)(F)F)N1CCC([NH2+]C2CCCC2)CC1 ZINC000126924576 823981811 /nfs/dbraw/zinc/98/18/11/823981811.db2.gz AAIUIWNQVQKYAD-UHFFFAOYSA-N 1 0 384.442 4.041 20 0 GIADRO C[C@@H](O)[C@](C)(C[NH2+][C@@H](C)c1ccc(Br)cn1)Cc1ccccc1 ZINC000575651491 823981965 /nfs/dbraw/zinc/98/19/65/823981965.db2.gz JKYUAJIRRXZCHR-KHYOSLBOSA-N 1 0 377.326 4.125 20 0 GIADRO CC[NH+](CC)[C@@H](C(=O)N(C)Cc1cccc(C)n1)c1cccc(C(F)(F)F)c1 ZINC000575736312 823983465 /nfs/dbraw/zinc/98/34/65/823983465.db2.gz QYQSTXHHPMTOLH-LJQANCHMSA-N 1 0 393.453 4.450 20 0 GIADRO CC(C)(C[NH2+]Cc1ccc(S(C)(=O)=O)s1)c1cccc(Cl)c1F ZINC000414430390 823983464 /nfs/dbraw/zinc/98/34/64/823983464.db2.gz JKOCRZQEJBPBON-UHFFFAOYSA-N 1 0 375.918 4.012 20 0 GIADRO COc1cccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1 ZINC000575751129 823985950 /nfs/dbraw/zinc/98/59/50/823985950.db2.gz KNABFTWOEXATJL-BJESRGMDSA-N 1 0 394.515 4.000 20 0 GIADRO COc1ccccc1-c1csc([C@@H]2CCC[N@H+](Cc3cccnc3N)C2)n1 ZINC000575750793 823985964 /nfs/dbraw/zinc/98/59/64/823985964.db2.gz SWJAWTUPVLPSMB-MRXNPFEDSA-N 1 0 380.517 4.176 20 0 GIADRO CCS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(C(F)(F)F)c(C)c2)s1 ZINC000414447714 823986844 /nfs/dbraw/zinc/98/68/44/823986844.db2.gz PXFOMINTBPSFQL-UHFFFAOYSA-N 1 0 377.453 4.159 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2cc(C(F)(F)F)ccn2)C1 ZINC000192425514 823987507 /nfs/dbraw/zinc/98/75/07/823987507.db2.gz FFTCSBTUGPUFQK-CABCVRRESA-N 1 0 384.446 4.219 20 0 GIADRO CS(=O)(=O)c1ccc(C[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CC2)s1 ZINC000414451746 823988185 /nfs/dbraw/zinc/98/81/85/823988185.db2.gz OGTUSJGLTPIKRI-MRXNPFEDSA-N 1 0 389.464 4.411 20 0 GIADRO COc1cccc(COC[C@@H](O)C[N@H+](CC(C)C)[C@@H]2CCCc3cccnc32)c1 ZINC000126957780 823989483 /nfs/dbraw/zinc/98/94/83/823989483.db2.gz GXISTNRRQWVPLT-JTHBVZDNSA-N 1 0 398.547 4.003 20 0 GIADRO Cc1ccc(C[NH2+]Cc2ccccc2OCC(=O)N2CCCC2)c2ccccc12 ZINC000414482701 823992362 /nfs/dbraw/zinc/99/23/62/823992362.db2.gz NJPSSSYXUUVYAG-UHFFFAOYSA-N 1 0 388.511 4.439 20 0 GIADRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)c3ncc(Br)s3)c2C1 ZINC000192438086 823992949 /nfs/dbraw/zinc/99/29/49/823992949.db2.gz MRUFRMLIGAOGCV-UHFFFAOYSA-N 1 0 380.311 4.130 20 0 GIADRO C[C@H](Oc1ccccc1NC(=O)NC1CC[NH+](C(C)(C)C)CC1)C(F)(F)F ZINC000575782866 823993560 /nfs/dbraw/zinc/99/35/60/823993560.db2.gz SSANYAXSXBDIEQ-ZDUSSCGKSA-N 1 0 387.446 4.401 20 0 GIADRO COC(=O)C1CCC([NH2+][C@H](C)c2cccc(NC(=O)c3ccccc3)c2)CC1 ZINC000192439185 823993653 /nfs/dbraw/zinc/99/36/53/823993653.db2.gz QYFPVEHHHREAKL-PPDQVPDSSA-N 1 0 380.488 4.321 20 0 GIADRO COc1ccc2c(c1F)CC[C@H]2[NH2+]Cc1cccc(NC(=O)c2ccccn2)c1 ZINC000575781511 823993648 /nfs/dbraw/zinc/99/36/48/823993648.db2.gz NMSJFCSQBODCQF-LJQANCHMSA-N 1 0 391.446 4.259 20 0 GIADRO COC(=O)C1CCC([NH2+][C@@H](C)c2ccc(OCc3ccncc3)c(OC)c2)CC1 ZINC000192439611 823993681 /nfs/dbraw/zinc/99/36/81/823993681.db2.gz PQGMWTQMSFAWJR-VQSBYGRUSA-N 1 0 398.503 4.052 20 0 GIADRO COC(=O)[C@H](C)c1cccc(NC2CC[NH+]([C@H](C)Cc3ccccc3)CC2)c1 ZINC000414489556 823994120 /nfs/dbraw/zinc/99/41/20/823994120.db2.gz QCTGOMUCKFRMMP-RTBURBONSA-N 1 0 380.532 4.471 20 0 GIADRO COc1ccccc1[C@H](C)CC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000170868404 823994613 /nfs/dbraw/zinc/99/46/13/823994613.db2.gz LUDYGZPPJCEREX-LJQANCHMSA-N 1 0 380.532 4.012 20 0 GIADRO CSc1ccc([C@H](CN[C@@H](c2ncc[nH]2)c2ccc(F)cc2)[NH+](C)C)cc1 ZINC000575784808 823994751 /nfs/dbraw/zinc/99/47/51/823994751.db2.gz YDWVSDPCZGVOMI-VQTJNVASSA-N 1 0 384.524 4.253 20 0 GIADRO COc1cccc2c1CC[C@@H]([NH2+]CC1(N[C@H](C)c3ccccc3)CCOCC1)C2 ZINC000192443154 823995383 /nfs/dbraw/zinc/99/53/83/823995383.db2.gz DYODYQOABSQLIB-DENIHFKCSA-N 1 0 394.559 4.042 20 0 GIADRO CCOc1cc(C[NH2+][C@H](CC)c2ccccc2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000414497858 823995829 /nfs/dbraw/zinc/99/58/29/823995829.db2.gz UVEURFANWWJYHO-FXAWDEMLSA-N 1 0 384.520 4.182 20 0 GIADRO COC(=O)C1CCC([NH2+]CCc2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000192446174 823995869 /nfs/dbraw/zinc/99/58/69/823995869.db2.gz SCIWTYYFSOFDSQ-UHFFFAOYSA-N 1 0 378.925 4.327 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]Cc2ccc(Cl)c(F)c2)c1 ZINC000414499455 823996374 /nfs/dbraw/zinc/99/63/74/823996374.db2.gz ZEDUSGBYWGAXJY-UHFFFAOYSA-N 1 0 376.280 4.216 20 0 GIADRO Cc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000575789854 823996669 /nfs/dbraw/zinc/99/66/69/823996669.db2.gz FKXDSISUNGMQMX-VHKYSDTDSA-N 1 0 389.902 4.150 20 0 GIADRO C[C@@]1(C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)CCCc2ccccc21 ZINC000126995820 823997467 /nfs/dbraw/zinc/99/74/67/823997467.db2.gz NQHDOYVLTBVZTD-RUZDIDTESA-N 1 0 392.543 4.124 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+]Cc2csc(-c3ccc(F)cc3)n2)cn1 ZINC000414504740 823997633 /nfs/dbraw/zinc/99/76/33/823997633.db2.gz KPLQHJJDGDDGKC-HNAYVOBHSA-N 1 0 386.496 4.033 20 0 GIADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]C[C@@H]1C[C@@H](C)O[C@H]1C ZINC000414510027 823998060 /nfs/dbraw/zinc/99/80/60/823998060.db2.gz DEWWWQXMDSAJPY-KCXAZCMYSA-N 1 0 392.341 4.155 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+]Cc2ccc(-c3cccc(F)c3C)o2)cn1 ZINC000414510357 823998527 /nfs/dbraw/zinc/99/85/27/823998527.db2.gz VEDOKWJHGAOGPE-KSFYIVLOSA-N 1 0 383.467 4.478 20 0 GIADRO O=C(c1ccc(Oc2ccc(F)c(F)c2)cc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000127006119 823999148 /nfs/dbraw/zinc/99/91/48/823999148.db2.gz XJOCYSNAXZRZHD-MRXNPFEDSA-N 1 0 386.442 4.315 20 0 GIADRO CO[C@H]1CCN(C(=O)Nc2ccc(SCC[NH+]3CCCCC3)cc2)C[C@H]1C ZINC000575801484 823999834 /nfs/dbraw/zinc/99/98/34/823999834.db2.gz VLEZWGKFKSKSPD-XLIONFOSSA-N 1 0 391.581 4.153 20 0 GIADRO CO[C@@H]1CCN(C(=O)Nc2ccc(SCC[NH+]3CCCCC3)cc2)C[C@H]1C ZINC000575801485 823999963 /nfs/dbraw/zinc/99/99/63/823999963.db2.gz VLEZWGKFKSKSPD-YLJYHZDGSA-N 1 0 391.581 4.153 20 0 GIADRO C[C@@H]1C[C@H](C[NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)[C@@H](C)O1 ZINC000414521419 824000739 /nfs/dbraw/zinc/00/07/39/824000739.db2.gz WDBTVZRXJRNMTL-YRGRVCCFSA-N 1 0 381.339 4.476 20 0 GIADRO Clc1ccc(CCCC[NH2+]CCc2nnc3n2CCCCC3)cc1Cl ZINC000192464070 824000797 /nfs/dbraw/zinc/00/07/97/824000797.db2.gz VFGJSARCENJWAR-UHFFFAOYSA-N 1 0 381.351 4.466 20 0 GIADRO COCc1ccccc1/C=C(\C)C[NH2+][C@@H](c1ccccc1)C1(CO)CCOCC1 ZINC000414522184 824000837 /nfs/dbraw/zinc/00/08/37/824000837.db2.gz BEONPTOTPMPASD-YEZCMDQSSA-N 1 0 395.543 4.356 20 0 GIADRO CC1CC[NH+](Cc2ccccc2CNC(=O)N(Cc2cccnc2)C2CC2)CC1 ZINC000170890370 824001421 /nfs/dbraw/zinc/00/14/21/824001421.db2.gz IOSGYEWXCQEZIK-UHFFFAOYSA-N 1 0 392.547 4.188 20 0 GIADRO O=C(Nc1cc2c(cc1Br)CCC2)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000192468532 824002742 /nfs/dbraw/zinc/00/27/42/824002742.db2.gz PFGPISKLQSFPSX-INIZCTEOSA-N 1 0 392.341 4.030 20 0 GIADRO C[NH+](C)C[C@H]1CCN(C(=O)Nc2ccccc2OCc2cccc(Cl)c2)C1 ZINC000127040831 824005609 /nfs/dbraw/zinc/00/56/09/824005609.db2.gz AJGADCVTEIMZQX-QGZVFWFLSA-N 1 0 387.911 4.334 20 0 GIADRO C[C@@H](CC(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1cccc(F)c1 ZINC000127040677 824005618 /nfs/dbraw/zinc/00/56/18/824005618.db2.gz GWFVNUHWVAWKBZ-KRWDZBQOSA-N 1 0 384.495 4.162 20 0 GIADRO OCC1([C@@H]([NH2+]Cc2cscc2C(F)(F)F)c2ccccc2)CCOCC1 ZINC000414540857 824005957 /nfs/dbraw/zinc/00/59/57/824005957.db2.gz PKPCZXFWEAAITL-KRWDZBQOSA-N 1 0 385.451 4.387 20 0 GIADRO COc1cccc([C@@H]2C[C@H]2C[NH2+]Cc2cnc(-c3ccccc3OC)nc2)c1 ZINC000414540983 824006402 /nfs/dbraw/zinc/00/64/02/824006402.db2.gz IDVAAPFMDXMHBS-RXVVDRJESA-N 1 0 375.472 4.054 20 0 GIADRO Cc1nc(COc2ccc(C[N@@H+]3CCC[C@H](N4CCCC4=O)CC3)cc2)cs1 ZINC000414543879 824006946 /nfs/dbraw/zinc/00/69/46/824006946.db2.gz CNLXYLDZNKXLOJ-FQEVSTJZSA-N 1 0 399.560 4.007 20 0 GIADRO CCS(=O)(=O)CCC[NH2+]Cc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000414545128 824007313 /nfs/dbraw/zinc/00/73/13/824007313.db2.gz QKPSEJMPQBTMCE-UHFFFAOYSA-N 1 0 393.361 4.031 20 0 GIADRO CC[C@@H]1C[C@H](C[N@H+](C[C@H](O)COc2ccccc2SC)C(C)C)CCO1 ZINC000414544876 824007389 /nfs/dbraw/zinc/00/73/89/824007389.db2.gz FRFYVBKKVXQSAR-CEXWTWQISA-N 1 0 381.582 4.064 20 0 GIADRO CC[C@@H]1C[C@@H](C[N@H+](C[C@H](O)COc2ccccc2SC)C(C)C)CCO1 ZINC000414544881 824007522 /nfs/dbraw/zinc/00/75/22/824007522.db2.gz FRFYVBKKVXQSAR-GBESFXJTSA-N 1 0 381.582 4.064 20 0 GIADRO COc1ccc2c(c1)CCC[C@@H]2c1noc(-c2ccccc2OCC[NH+](C)C)n1 ZINC000575835938 824007561 /nfs/dbraw/zinc/00/75/61/824007561.db2.gz RZDKKXUAFIINSS-IBGZPJMESA-N 1 0 393.487 4.154 20 0 GIADRO CNC(=O)NC1CC[NH+](Cc2ccc(-c3ccc(C(F)(F)F)cc3)s2)CC1 ZINC000414547260 824007798 /nfs/dbraw/zinc/00/77/98/824007798.db2.gz VMTZDGWAURDJTC-UHFFFAOYSA-N 1 0 397.466 4.327 20 0 GIADRO COc1ccccc1C/C(C)=C/C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000170944117 824009875 /nfs/dbraw/zinc/00/98/75/824009875.db2.gz SAJKOCVBJIMXBD-FMQUCBEESA-N 1 0 392.543 4.007 20 0 GIADRO C/C(=C/c1ccccc1OC(F)F)C[N@@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000414556482 824011458 /nfs/dbraw/zinc/01/14/58/824011458.db2.gz VXOVXEMDYMINSR-BROZXCPCSA-N 1 0 378.463 4.168 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+]Cc2cc(F)cc3c2OCOC3)cc1OCC ZINC000192501181 824012627 /nfs/dbraw/zinc/01/26/27/824012627.db2.gz TVQORSMMNBHXLC-CQSZACIVSA-N 1 0 375.440 4.340 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)Cc2cc(F)c(F)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000127078794 824012928 /nfs/dbraw/zinc/01/29/28/824012928.db2.gz XDPVDJKUEBSJLK-MAUKXSAKSA-N 1 0 390.449 4.158 20 0 GIADRO OC[C@@H]1CCC[C@@H]([NH2+]Cc2csc(-c3cccc(Br)c3)n2)C1 ZINC000414576085 824014899 /nfs/dbraw/zinc/01/48/99/824014899.db2.gz NUIAEXLFZUBWSM-IUODEOHRSA-N 1 0 381.339 4.213 20 0 GIADRO O=C(CC[NH2+]C1CCN(c2nc3ccccc3s2)CC1)Nc1cccc(F)c1 ZINC000575862200 824014778 /nfs/dbraw/zinc/01/47/78/824014778.db2.gz WNCGDWCXGSVFHW-UHFFFAOYSA-N 1 0 398.507 4.023 20 0 GIADRO Cc1cccc(-c2nc(CC(=O)Nc3nc(C4CC[NH2+]CC4)cs3)cs2)c1 ZINC000575867518 824015966 /nfs/dbraw/zinc/01/59/66/824015966.db2.gz VXOHQNUTPQGSCE-UHFFFAOYSA-N 1 0 398.557 4.223 20 0 GIADRO O=C(C[NH2+][C@@H](c1ccccc1)C1CC1)Nc1cc2c(cc1Cl)OCCCO2 ZINC000192513279 824016192 /nfs/dbraw/zinc/01/61/92/824016192.db2.gz AXSDZSCUADPRMY-NRFANRHFSA-N 1 0 386.879 4.181 20 0 GIADRO O=C([C@@H](Sc1ccccc1)c1ccccc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000127101698 824017588 /nfs/dbraw/zinc/01/75/88/824017588.db2.gz KMOFJGSLYJMIKL-UGKGYDQZSA-N 1 0 380.557 4.464 20 0 GIADRO CC(C)n1c(-c2cccnc2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000575877989 824017999 /nfs/dbraw/zinc/01/79/99/824017999.db2.gz IISNSOJDCGSIDZ-IBGZPJMESA-N 1 0 382.556 4.013 20 0 GIADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)Nc1ccc(Oc2nncc3ccccc32)c(Cl)c1 ZINC000575895342 824022118 /nfs/dbraw/zinc/02/21/18/824022118.db2.gz ZFOMTXJEXVSCLD-SJCJKPOMSA-N 1 0 397.866 4.029 20 0 GIADRO O=C(Nc1cc(C(F)(F)F)ccc1Cl)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414676865 824022734 /nfs/dbraw/zinc/02/27/34/824022734.db2.gz UBYKLFMKRFSMJS-NWDGAFQWSA-N 1 0 375.822 4.212 20 0 GIADRO O=C(c1cccc(C[NH2+]C2(c3ccc(F)cc3)CCOCC2)c1)N1CCCCC1 ZINC000170970881 824023030 /nfs/dbraw/zinc/02/30/30/824023030.db2.gz RWTVPQCWTVUOKI-UHFFFAOYSA-N 1 0 396.506 4.247 20 0 GIADRO CCc1cccc(CC)c1NC(=O)C[NH2+]C1(c2ccc(F)cc2)CCOCC1 ZINC000170971646 824023608 /nfs/dbraw/zinc/02/36/08/824023608.db2.gz IQLVTJRRHNQHGY-UHFFFAOYSA-N 1 0 384.495 4.185 20 0 GIADRO O[C@H](C[NH2+]C1(c2ccc(F)cc2)CCOCC1)COc1cccc2ccccc21 ZINC000170971609 824023650 /nfs/dbraw/zinc/02/36/50/824023650.db2.gz YQSFHAOZAUQQPL-OAQYLSRUSA-N 1 0 395.474 4.014 20 0 GIADRO CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H](CC(C)(C)C)c2ccccc2)c1 ZINC000414691637 824024285 /nfs/dbraw/zinc/02/42/85/824024285.db2.gz JZWZSGXTPYJMEV-HXUWFJFHSA-N 1 0 381.520 4.028 20 0 GIADRO O=C(c1csc(-c2c(F)cccc2F)n1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000170973696 824024705 /nfs/dbraw/zinc/02/47/05/824024705.db2.gz IHBLVPWYXGVTDB-AWEZNQCLSA-N 1 0 391.487 4.179 20 0 GIADRO COCc1ccc(NC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)cc1 ZINC000192539076 824024861 /nfs/dbraw/zinc/02/48/61/824024861.db2.gz CKSWIPGIAIRAOK-UHFFFAOYSA-N 1 0 375.900 4.082 20 0 GIADRO COCCNc1ccc(C[NH2+][C@H](C)c2sc(-c3cccnc3)nc2C)cc1 ZINC000127142872 824025852 /nfs/dbraw/zinc/02/58/52/824025852.db2.gz GNNSMFDUWPSCAG-OAHLLOKOSA-N 1 0 382.533 4.423 20 0 GIADRO CC(C)c1ccc([C@H](C[NH2+][C@H]2CCOC[C@H]2C)NC(=O)OC(C)(C)C)cc1 ZINC000192543158 824026270 /nfs/dbraw/zinc/02/62/70/824026270.db2.gz HCRGKEWHRDAWMI-UXPWSPDFSA-N 1 0 376.541 4.390 20 0 GIADRO CCCOc1ccc(NC(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1OCCC ZINC000414719257 824026705 /nfs/dbraw/zinc/02/67/05/824026705.db2.gz USASCXWCFLTIAH-ZWKOTPCHSA-N 1 0 389.540 4.118 20 0 GIADRO C[C@@](C[NH3+])(NC(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1)C1CC1 ZINC000414723144 824027140 /nfs/dbraw/zinc/02/71/40/824027140.db2.gz BKRLYEZWZYFSIS-NRFANRHFSA-N 1 0 380.517 4.136 20 0 GIADRO CCOc1ccc(Oc2ccc(NC(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)cc2)cc1 ZINC000414723156 824027440 /nfs/dbraw/zinc/02/74/40/824027440.db2.gz HICXYJNZVZWPLN-WQTXXOFMSA-N 1 0 395.503 4.469 20 0 GIADRO CCOc1ccc(Oc2ccc(NC(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)cc2)cc1 ZINC000414723155 824027472 /nfs/dbraw/zinc/02/74/72/824027472.db2.gz HICXYJNZVZWPLN-USCONSEESA-N 1 0 395.503 4.469 20 0 GIADRO CCCc1c(C(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)[nH]c(C)c1C(C)=O ZINC000192546583 824027801 /nfs/dbraw/zinc/02/78/01/824027801.db2.gz LXOZFYSUUHTGBZ-FQEVSTJZSA-N 1 0 377.488 4.061 20 0 GIADRO CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)N2CC[C@H]([NH3+])C2)cc1 ZINC000414724449 824027879 /nfs/dbraw/zinc/02/78/79/824027879.db2.gz FWHIAZNQVCRBIW-AWEZNQCLSA-N 1 0 375.856 4.096 20 0 GIADRO CO[C@@H]1CCN(C(=O)Nc2ccc(Sc3cc(C)ccc3C)cc2)[C@@H](C[NH3+])C1 ZINC000414724189 824027928 /nfs/dbraw/zinc/02/79/28/824027928.db2.gz JJIICBMQGFSCDS-RTBURBONSA-N 1 0 399.560 4.425 20 0 GIADRO CN(C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414726378 824028411 /nfs/dbraw/zinc/02/84/11/824028411.db2.gz KYPKTGCLJFGMSP-XYPWUTKMSA-N 1 0 396.457 4.052 20 0 GIADRO C[C@@H](CCC[NH3+])NC(=O)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1 ZINC000414731490 824029498 /nfs/dbraw/zinc/02/94/98/824029498.db2.gz HTFQXNNHESZLPM-NSHDSACASA-N 1 0 386.443 4.002 20 0 GIADRO CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H](c2cccs2)C(CC)CC)c1 ZINC000414732435 824029583 /nfs/dbraw/zinc/02/95/83/824029583.db2.gz ADHMRBUXUIAJMX-LJQANCHMSA-N 1 0 387.549 4.090 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)CC[NH2+]1 ZINC000414732987 824030090 /nfs/dbraw/zinc/03/00/90/824030090.db2.gz JFAPPPWFNSZMRK-PWSUYJOCSA-N 1 0 399.347 4.303 20 0 GIADRO CCOc1ccc([C@H](C)NC(=O)CCC[NH2+]C2CCC3(CCCO3)CC2)cc1 ZINC000575922498 824030184 /nfs/dbraw/zinc/03/01/84/824030184.db2.gz GDZMEJXKPLUOJH-QRGRWYIGSA-N 1 0 388.552 4.124 20 0 GIADRO Cc1nc(-c2ccccc2F)sc1C(=O)N(CC(C)C)C1CC[NH+](C)CC1 ZINC000575926240 824030699 /nfs/dbraw/zinc/03/06/99/824030699.db2.gz SWVRJEZZHDRQBQ-UHFFFAOYSA-N 1 0 389.540 4.450 20 0 GIADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000414737401 824030807 /nfs/dbraw/zinc/03/08/07/824030807.db2.gz ZCYGJIOGULZQDL-OAHLLOKOSA-N 1 0 386.462 4.143 20 0 GIADRO C[C@@H]1CN(C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)CC[C@H]1[NH3+] ZINC000414739488 824031065 /nfs/dbraw/zinc/03/10/65/824031065.db2.gz FXFNBDBICCGDHI-ZWNOBZJWSA-N 1 0 384.427 4.030 20 0 GIADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000414737898 824031074 /nfs/dbraw/zinc/03/10/74/824031074.db2.gz OOKMXUJVUQJWQV-WBMJQRKESA-N 1 0 378.929 4.121 20 0 GIADRO C[C@@H]1CN(C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)CC[C@@H]1[NH3+] ZINC000414739486 824031202 /nfs/dbraw/zinc/03/12/02/824031202.db2.gz FXFNBDBICCGDHI-MFKMUULPSA-N 1 0 384.427 4.030 20 0 GIADRO CN(CC(C)(C)C[NH3+])C(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000414737902 824031207 /nfs/dbraw/zinc/03/12/07/824031207.db2.gz DRTIHCRIDYVDOO-UHFFFAOYSA-N 1 0 386.443 4.278 20 0 GIADRO CC(C)CC[C@H](NC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2)c1ccc(Cl)cc1 ZINC000414746713 824032248 /nfs/dbraw/zinc/03/22/48/824032248.db2.gz ZJNRGFYWGZFRPW-FQEVSTJZSA-N 1 0 399.922 4.175 20 0 GIADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)C1 ZINC000414745536 824032445 /nfs/dbraw/zinc/03/24/45/824032445.db2.gz KXNOTKPHSBLVSD-ZYHUDNBSSA-N 1 0 384.427 4.030 20 0 GIADRO CC(C)C(=O)Nc1ccc(NC(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)cc1 ZINC000414748435 824032658 /nfs/dbraw/zinc/03/26/58/824032658.db2.gz WODWJCJKHYPXQI-FQEVSTJZSA-N 1 0 382.508 4.226 20 0 GIADRO c1ccc(CSCC[NH+]2CCC(c3nc(-c4ccccn4)no3)CC2)cc1 ZINC000192565478 824033095 /nfs/dbraw/zinc/03/30/95/824033095.db2.gz JLTSHOXHFSVGHL-UHFFFAOYSA-N 1 0 380.517 4.244 20 0 GIADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000414769315 824034472 /nfs/dbraw/zinc/03/44/72/824034472.db2.gz JUJSYOWWZGWBJO-HNAYVOBHSA-N 1 0 381.480 4.064 20 0 GIADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000414769313 824034658 /nfs/dbraw/zinc/03/46/58/824034658.db2.gz JUJSYOWWZGWBJO-DNVCBOLYSA-N 1 0 381.480 4.064 20 0 GIADRO [NH3+]C1(CNC(=O)Nc2cccc(NC(=O)c3cccs3)c2)CCCCCC1 ZINC000414776082 824034954 /nfs/dbraw/zinc/03/49/54/824034954.db2.gz CYUFOWALKBJXDB-UHFFFAOYSA-N 1 0 386.521 4.174 20 0 GIADRO COCc1ccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000192570618 824035068 /nfs/dbraw/zinc/03/50/68/824035068.db2.gz GSKGJBUTYWNQNU-GGAORHGYSA-N 1 0 393.531 4.351 20 0 GIADRO C[C@@H]([NH2+]C1(CNC(=O)[C@H]2CCCc3cccnc32)CCCC1)c1ccccc1 ZINC000192570925 824035422 /nfs/dbraw/zinc/03/54/22/824035422.db2.gz YSWBBGQTWGHWHC-NQIIRXRSSA-N 1 0 377.532 4.281 20 0 GIADRO CC(C)Cc1ccc([C@@H](NC(=O)C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)C2CC2)cc1 ZINC000414782419 824035706 /nfs/dbraw/zinc/03/57/06/824035706.db2.gz ONLKBDPRGDQYGD-OPAMFIHVSA-N 1 0 393.531 4.111 20 0 GIADRO CN(C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414783427 824035730 /nfs/dbraw/zinc/03/57/30/824035730.db2.gz ZMANEBVFOPAQMF-YOFSQIOKSA-N 1 0 393.491 4.077 20 0 GIADRO C[C@@H](CCC[NH3+])NC(=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1 ZINC000414791680 824037050 /nfs/dbraw/zinc/03/70/50/824037050.db2.gz QSNYOGQYXISMCA-AWEZNQCLSA-N 1 0 377.435 4.128 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cc(-c2csc(C)n2)c[nH]1 ZINC000171014278 824037599 /nfs/dbraw/zinc/03/75/99/824037599.db2.gz BLDFCXDNYAQDAP-UHFFFAOYSA-N 1 0 382.533 4.171 20 0 GIADRO CCCCOc1ccc(OC)cc1NC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000414812431 824038700 /nfs/dbraw/zinc/03/87/00/824038700.db2.gz RFVQNOVHXQJMJA-HXUWFJFHSA-N 1 0 389.540 4.116 20 0 GIADRO CC[C@H](C(=O)N[C@H]1CCO[C@H](c2ccc(F)cc2)C1)[N@H+](C)Cc1ccccc1 ZINC000575961953 824038778 /nfs/dbraw/zinc/03/87/78/824038778.db2.gz SJZBBEXFIBORHQ-BDTNDASRSA-N 1 0 384.495 4.073 20 0 GIADRO Cc1c2ccccc2oc1[C@@H](NC(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1)C(C)C ZINC000414820010 824039666 /nfs/dbraw/zinc/03/96/66/824039666.db2.gz BIAJLZFBHVOICB-YWZLYKJASA-N 1 0 393.487 4.213 20 0 GIADRO Cc1c2ccccc2oc1[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1)C(C)C ZINC000414820007 824039702 /nfs/dbraw/zinc/03/97/02/824039702.db2.gz BIAJLZFBHVOICB-FOIQADDNSA-N 1 0 393.487 4.213 20 0 GIADRO CCCN(C(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1C)C1CC[NH2+]CC1 ZINC000414838421 824040736 /nfs/dbraw/zinc/04/07/36/824040736.db2.gz IBCYLZPOJHGAFZ-UHFFFAOYSA-N 1 0 394.519 4.243 20 0 GIADRO Cc1cc(C)n(-c2ccc(C(F)(F)F)cc2NC(=O)NC(C)(C)CCC[NH3+])n1 ZINC000414841434 824040761 /nfs/dbraw/zinc/04/07/61/824040761.db2.gz OGARBPLTLZRMNE-UHFFFAOYSA-N 1 0 397.445 4.147 20 0 GIADRO Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000414837339 824040820 /nfs/dbraw/zinc/04/08/20/824040820.db2.gz GUWIHPVENJUDMI-IBGZPJMESA-N 1 0 382.508 4.084 20 0 GIADRO [NH3+][C@H]1CCc2ncc(NC(=O)N3CCCC[C@@H]3c3cccc(Cl)c3)cc2C1 ZINC000575971311 824041720 /nfs/dbraw/zinc/04/17/20/824041720.db2.gz SJGACNNETQOGIY-FXAWDEMLSA-N 1 0 384.911 4.310 20 0 GIADRO Cc1ccc(OC2CCN(C(=O)Nc3cccc4c3CC[NH2+]C4)CC2)cc1C ZINC000575971596 824041808 /nfs/dbraw/zinc/04/18/08/824041808.db2.gz XAWIIIBFKFUXPM-UHFFFAOYSA-N 1 0 379.504 4.024 20 0 GIADRO C[N@H+](Cc1ccccc1N1CCOCC1)Cc1cc(Cl)cc2cccnc21 ZINC000192597980 824041846 /nfs/dbraw/zinc/04/18/46/824041846.db2.gz FGQMYBPEDLNIBV-UHFFFAOYSA-N 1 0 381.907 4.357 20 0 GIADRO CCCCN(C(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1)[C@H](CC)c1ccccc1 ZINC000414851615 824042198 /nfs/dbraw/zinc/04/21/98/824042198.db2.gz OMAOLADPSYLWSH-DYESRHJHSA-N 1 0 381.520 4.425 20 0 GIADRO CCOc1c(Br)cc(CNc2ccccc2C[NH2+]C)cc1OC ZINC000414864554 824043478 /nfs/dbraw/zinc/04/34/78/824043478.db2.gz ZMZRADDXVSUDNS-UHFFFAOYSA-N 1 0 379.298 4.188 20 0 GIADRO O=C(C[C@@H]1CCC[N@H+](CCc2ccc(F)c(F)c2)C1)NCc1ccc(F)cc1 ZINC000575985268 824044167 /nfs/dbraw/zinc/04/41/67/824044167.db2.gz DFGIWTGWRHSPTP-SFHVURJKSA-N 1 0 390.449 4.065 20 0 GIADRO Cc1ccc(C2(C(=O)Nc3cccc4c3OCC[C@H]4[NH+](C)C)CCOCC2)cc1 ZINC000575983243 824044187 /nfs/dbraw/zinc/04/41/87/824044187.db2.gz UKPNKSXSGUTJKP-OAQYLSRUSA-N 1 0 394.515 4.067 20 0 GIADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NCc2csc(-c3ccccc3)n2)cc1 ZINC000414881651 824044712 /nfs/dbraw/zinc/04/47/12/824044712.db2.gz LEHUKOOHNYWFKL-SFTDATJTSA-N 1 0 379.529 4.054 20 0 GIADRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000414890922 824045959 /nfs/dbraw/zinc/04/59/59/824045959.db2.gz NKLPOMIAWMKBTE-HXUWFJFHSA-N 1 0 395.507 4.278 20 0 GIADRO CCN(CC)C(=O)c1ccc(NC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000192614582 824046306 /nfs/dbraw/zinc/04/63/06/824046306.db2.gz OXBBYYIKCGPCKS-UHFFFAOYSA-N 1 0 379.548 4.288 20 0 GIADRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000414895773 824047221 /nfs/dbraw/zinc/04/72/21/824047221.db2.gz ZLGGJVHZQBYKLN-OXJNMPFZSA-N 1 0 395.507 4.230 20 0 GIADRO Cn1cc([C@@H]2C[N@H+](Cc3nnc(-c4cc5c(s4)CCCC5)o3)CC2(C)C)cn1 ZINC000575998457 824047272 /nfs/dbraw/zinc/04/72/72/824047272.db2.gz NUMCVAISVNNEHI-INIZCTEOSA-N 1 0 397.548 4.036 20 0 GIADRO Cn1cc([C@H]2C[N@H+](Cc3nnc(-c4cc5c(s4)CCCC5)o3)CC2(C)C)cn1 ZINC000575998458 824047347 /nfs/dbraw/zinc/04/73/47/824047347.db2.gz NUMCVAISVNNEHI-MRXNPFEDSA-N 1 0 397.548 4.036 20 0 GIADRO CC(C)c1nccn1Cc1cccc(NC(=O)N[C@H](C[NH3+])C2CCCCC2)c1 ZINC000414903782 824047956 /nfs/dbraw/zinc/04/79/56/824047956.db2.gz MEJUNFHNQMFUHZ-HXUWFJFHSA-N 1 0 383.540 4.084 20 0 GIADRO Cc1ccc(Br)cc1NC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000414909276 824049136 /nfs/dbraw/zinc/04/91/36/824049136.db2.gz RKQQMDXGGPEKAO-UHFFFAOYSA-N 1 0 376.298 4.140 20 0 GIADRO CC(C)c1nccn1Cc1cccc(NC(=O)N(CCC[NH3+])CC2CCCC2)c1 ZINC000414920077 824050062 /nfs/dbraw/zinc/05/00/62/824050062.db2.gz YLGMCAPCHCXJTK-UHFFFAOYSA-N 1 0 397.567 4.428 20 0 GIADRO CC(C)Sc1cccc(Cl)c1CNC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000192629985 824050355 /nfs/dbraw/zinc/05/03/55/824050355.db2.gz ZFIXAAGHYPEGDG-MRXNPFEDSA-N 1 0 383.001 4.431 20 0 GIADRO C[C@H]([NH3+])c1ccc(NC(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)cc1 ZINC000414931573 824051333 /nfs/dbraw/zinc/05/13/33/824051333.db2.gz BWQDVGBOZGPVJY-INIZCTEOSA-N 1 0 380.492 4.367 20 0 GIADRO CCCN(CCC)C(=O)c1ccc(NC(=O)NCc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000414930730 824051343 /nfs/dbraw/zinc/05/13/43/824051343.db2.gz TYUOBGTUGIHKFZ-QGZVFWFLSA-N 1 0 396.535 4.290 20 0 GIADRO COc1ccc2onc(CC(=O)Nc3ccc(C[N@@H+]4CCC[C@@H](C)C4)cc3)c2c1 ZINC000414928425 824051515 /nfs/dbraw/zinc/05/15/15/824051515.db2.gz NBVDGBCFBHFHLQ-MRXNPFEDSA-N 1 0 393.487 4.250 20 0 GIADRO COc1cc(CN[C@H](C[NH3+])c2ccc3ccccc3c2)c(SC)cc1OC ZINC000414936850 824051856 /nfs/dbraw/zinc/05/18/56/824051856.db2.gz HBAMTQHMDINQJX-LJQANCHMSA-N 1 0 382.529 4.369 20 0 GIADRO CCC(CC)(CN[C@@H](c1nc[nH]n1)c1ccccc1)[NH2+][C@H](C)c1ccccc1 ZINC000576023560 824051858 /nfs/dbraw/zinc/05/18/58/824051858.db2.gz VJWGQXDQFVYQOL-WIYYLYMNSA-N 1 0 377.536 4.393 20 0 GIADRO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@H]1CCCc2cc(N)ccc21 ZINC000414937231 824052023 /nfs/dbraw/zinc/05/20/23/824052023.db2.gz VGZUVZLRCLBWTQ-VFNWGFHPSA-N 1 0 385.939 4.326 20 0 GIADRO CCOC(=O)C(C)(C)C1CC[NH+](Cc2ccc(OC(C)C)c(OC)c2)CC1 ZINC000576028172 824053223 /nfs/dbraw/zinc/05/32/23/824053223.db2.gz ASWVFZQXVDSSBA-UHFFFAOYSA-N 1 0 377.525 4.284 20 0 GIADRO CCc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000576031544 824053798 /nfs/dbraw/zinc/05/37/98/824053798.db2.gz BWFFRGMVKVCIDG-RVHYNSKXSA-N 1 0 385.939 4.264 20 0 GIADRO COc1ccc(C[C@](C)(O)C[NH2+][C@@H]2CCC[C@H]2c2ccc(F)cc2)cc1OC ZINC000576033588 824054384 /nfs/dbraw/zinc/05/43/84/824054384.db2.gz PTDYWVYKZDGXDV-MZKRTTBSSA-N 1 0 387.495 4.062 20 0 GIADRO COc1ccc(C[C@](C)(O)C[NH2+][C@H]2CCC[C@H]2c2ccc(F)cc2)cc1OC ZINC000576033587 824054492 /nfs/dbraw/zinc/05/44/92/824054492.db2.gz PTDYWVYKZDGXDV-JTAQYXEDSA-N 1 0 387.495 4.062 20 0 GIADRO O=C(Nc1ncc(C2CC[NH2+]CC2)s1)c1cc(C2CC2)nc2ccccc21 ZINC000576037085 824055384 /nfs/dbraw/zinc/05/53/84/824055384.db2.gz KKXFAMUNVNKPCB-UHFFFAOYSA-N 1 0 378.501 4.288 20 0 GIADRO C[C@@H]([NH3+])c1ccc(NC(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2)cc1 ZINC000414969056 824055568 /nfs/dbraw/zinc/05/55/68/824055568.db2.gz DOKXQHVNSPDQCL-MRXNPFEDSA-N 1 0 380.492 4.222 20 0 GIADRO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)N1CC[C@@H](CC(F)(F)F)C1 ZINC000576039382 824055678 /nfs/dbraw/zinc/05/56/78/824055678.db2.gz VREAUIGFRFJSQM-OALUTQOASA-N 1 0 397.485 4.273 20 0 GIADRO CO[C@H]1CCN(C(=O)Nc2ccc(Oc3cc(C)cc(C)c3)cc2)[C@H](C[NH3+])C1 ZINC000414971900 824056018 /nfs/dbraw/zinc/05/60/18/824056018.db2.gz IZARSQRLZGQMGF-ICSRJNTNSA-N 1 0 383.492 4.066 20 0 GIADRO O=C(Cc1cccc(C(F)(F)F)c1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000007686679 221005292 /nfs/dbraw/zinc/00/52/92/221005292.db2.gz QIGQZRJBXTWLDB-IBGZPJMESA-N 1 0 376.422 4.201 20 0 GIADRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3ccc4[nH]c(C)c(C)c4c3)cc2)CC1 ZINC000071956393 222199032 /nfs/dbraw/zinc/19/90/32/222199032.db2.gz ABKFFXBOPQOYAR-UHFFFAOYSA-N 1 0 390.531 4.175 20 0 GIADRO O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CCC2(C=Cc3ccccc3O2)CC1 ZINC000077976556 222296399 /nfs/dbraw/zinc/29/63/99/222296399.db2.gz AFPJHWAYGOBWAP-UHFFFAOYSA-N 1 0 388.511 4.363 20 0 GIADRO CCN(CC)C(=O)C[C@@H]1CC2(CC[NH+](CC3CCOCC3)CC2)c2ccccc21 ZINC000096053069 222375211 /nfs/dbraw/zinc/37/52/11/222375211.db2.gz ROVCYOUWRIJAFY-OAQYLSRUSA-N 1 0 398.591 4.193 20 0 GIADRO [NH3+]CC1(F)CCN(C(F)(F)Oc2ccccc2-c2cccc(Cl)n2)CC1 ZINC001164389732 718813305 /nfs/dbraw/zinc/81/33/05/718813305.db2.gz YKBYTUJOSRRMLV-UHFFFAOYSA-N 1 0 385.817 4.094 20 0 GIADRO FC(F)(c1cccc2c(Cl)ncnc21)N1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001164417455 718892983 /nfs/dbraw/zinc/89/29/83/718892983.db2.gz KKXLVMSFFHLZNO-MRXNPFEDSA-N 1 0 380.870 4.187 20 0 GIADRO CSc1cnc(Cl)c(C(F)(F)N2C[C@@H]3[NH2+]Cc4ccccc4[C@@H]3C2)c1 ZINC001164425194 718945048 /nfs/dbraw/zinc/94/50/48/718945048.db2.gz TVEIPKRJXFAOBD-HOCLYGCPSA-N 1 0 381.879 4.077 20 0 GIADRO FC(F)(c1nc2cc(Cl)c(Cl)cc2nc1Cl)N1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001164448706 718997251 /nfs/dbraw/zinc/99/72/51/718997251.db2.gz IPGIJWNROBGANX-JOYOIKCWSA-N 1 0 393.652 4.076 20 0 GIADRO Cc1ccc(C(F)(F)N2CC[C@@]3(C[NH2+]C[C@H]3c3ccccc3)C2)nc1Cl ZINC001164618315 719046100 /nfs/dbraw/zinc/04/61/00/719046100.db2.gz AMGKIRHGQFUZMQ-QFBILLFUSA-N 1 0 377.866 4.172 20 0 GIADRO FC(F)(c1cccnc1Cl)N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164621463 719054194 /nfs/dbraw/zinc/05/41/94/719054194.db2.gz JIYJHVKZIOTKCJ-FUHWJXTLSA-N 1 0 377.866 4.381 20 0 GIADRO Cc1cc(Cl)nc(C(F)(F)N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164621974 719056193 /nfs/dbraw/zinc/05/61/93/719056193.db2.gz KJTFXWJFOUTCIU-IRXDYDNUSA-N 1 0 392.881 4.084 20 0 GIADRO Clc1ncnc2scc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)c21 ZINC001164626527 719072488 /nfs/dbraw/zinc/07/24/88/719072488.db2.gz OFAMUSDOILYRPV-JKSUJKDBSA-N 1 0 384.936 4.446 20 0 GIADRO CCOC(=O)c1nc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)ccc1Cl ZINC001164622456 719090927 /nfs/dbraw/zinc/09/09/27/719090927.db2.gz BZSWFRFGLJOQID-PKOBYXMFSA-N 1 0 399.922 4.013 20 0 GIADRO [NH3+]C1([C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccco4)c3)C[C@@H]2CF)CC1 ZINC001164619548 719127434 /nfs/dbraw/zinc/12/74/34/719127434.db2.gz FCHWBKWBVLJUBV-FZMZJTMJSA-N 1 0 385.817 4.053 20 0 GIADRO CC(C)C[NH+]1CCN(c2nc(-c3cccnc3)nc3sc4c(c32)CCC4)CC1 ZINC000301055316 719337427 /nfs/dbraw/zinc/33/74/27/719337427.db2.gz BGJPAFZDEMGHSN-UHFFFAOYSA-N 1 0 393.560 4.020 20 0 GIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(Cl)ccc2F)CC3)cs1 ZINC001164692229 719805814 /nfs/dbraw/zinc/80/58/14/719805814.db2.gz LUNNDBPYIYCFPV-UHFFFAOYSA-N 1 0 380.920 4.274 20 0 GIADRO CCCc1cc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)nc(C)n1 ZINC001164692162 719811243 /nfs/dbraw/zinc/81/12/43/719811243.db2.gz MPIRSNDFWXEZAK-UHFFFAOYSA-N 1 0 385.581 4.137 20 0 GIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc3c(C)ccc(F)c3cc1C)C2 ZINC001164813249 720137880 /nfs/dbraw/zinc/13/78/80/720137880.db2.gz PXJXVXBTMHIUGA-NTKDMRAZSA-N 1 0 397.538 4.175 20 0 GIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)cc3cc(C)ccc31)C2 ZINC001164813183 720147840 /nfs/dbraw/zinc/14/78/40/720147840.db2.gz PSVFCMKZFSHJBB-AUSIDOKSSA-N 1 0 399.966 4.381 20 0 GIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(C)c3ccc(C)c(C)c3n1)C2 ZINC001164815070 720173952 /nfs/dbraw/zinc/17/39/52/720173952.db2.gz HVLJEFAIKHCHKQ-OFVILXPXSA-N 1 0 393.575 4.345 20 0 GIADRO Clc1cc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c(-c2ccccc2)nn1 ZINC001164730289 720385496 /nfs/dbraw/zinc/38/54/96/720385496.db2.gz WMMLFOQYUAGXQR-OALUTQOASA-N 1 0 391.906 4.045 20 0 GIADRO COc1ccc2c(cc(Cl)nc2N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c1 ZINC001164726337 720411155 /nfs/dbraw/zinc/41/11/55/720411155.db2.gz BMNILVUSROPDFJ-WOJBJXKFSA-N 1 0 394.906 4.145 20 0 GIADRO Clc1cccc(-c2ccc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)nn2)c1 ZINC001164734389 720441707 /nfs/dbraw/zinc/44/17/07/720441707.db2.gz RTUJIRANAAXDBP-RTWAWAEBSA-N 1 0 391.906 4.045 20 0 GIADRO Clc1cccc(-c2ccc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)nn2)c1 ZINC001164734386 720442090 /nfs/dbraw/zinc/44/20/90/720442090.db2.gz RTUJIRANAAXDBP-LEWJYISDSA-N 1 0 391.906 4.045 20 0 GIADRO Fc1cccc2c(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)cc(Cl)nc12 ZINC001164728239 720477378 /nfs/dbraw/zinc/47/73/78/720477378.db2.gz OOQPZAORGZZQBH-QZTJIDSGSA-N 1 0 382.870 4.276 20 0 GIADRO Fc1cccc2cc(Cl)nc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c12 ZINC001164731122 720489146 /nfs/dbraw/zinc/48/91/46/720489146.db2.gz VUIDHQJQUBMLDD-ZWKOTPCHSA-N 1 0 382.870 4.276 20 0 GIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H](O)[C@@H]2Cc2ccccc2)nc1 ZINC001164832567 720494359 /nfs/dbraw/zinc/49/43/59/720494359.db2.gz JRUQWUXLEJBVLV-XPWALMASSA-N 1 0 379.548 4.201 20 0 GIADRO Cc1cccc2ccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)nc12 ZINC001164833261 720506713 /nfs/dbraw/zinc/50/67/13/720506713.db2.gz CKJPKRAWFGARDL-FDFHNCONSA-N 1 0 389.547 4.118 20 0 GIADRO Cc1cc2ccccc2nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164834433 720523092 /nfs/dbraw/zinc/52/30/92/720523092.db2.gz GJHNABNELMSXGN-QNWVGRARSA-N 1 0 389.547 4.118 20 0 GIADRO Cc1cc(Cl)ncc1C(F)(F)N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164859916 720962412 /nfs/dbraw/zinc/96/24/12/720962412.db2.gz OLYAYAARBJJHFH-AWEZNQCLSA-N 1 0 397.901 4.206 20 0 GIADRO Cc1c(Cl)cnc(Cl)c1N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164856339 720994183 /nfs/dbraw/zinc/99/41/83/720994183.db2.gz BOMBSUAZDRJLAJ-ZDUSSCGKSA-N 1 0 382.339 4.315 20 0 GIADRO CC(C)c1ccc2ncnc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@H]3C)c2c1 ZINC001164857235 721005196 /nfs/dbraw/zinc/00/51/96/721005196.db2.gz FBUKEPYKXQLTMO-QGZVFWFLSA-N 1 0 392.551 4.371 20 0 GIADRO Cc1nc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)nc(C)c1Cl ZINC001164792307 721497405 /nfs/dbraw/zinc/49/74/05/721497405.db2.gz NVCPTDCDGZFQSQ-UHFFFAOYSA-N 1 0 385.943 4.023 20 0 GIADRO FC1(F)CCN(c2ccc3ccccc3n2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164903966 721584376 /nfs/dbraw/zinc/58/43/76/721584376.db2.gz PNFDEEDIKIRJAQ-JOCHJYFZSA-N 1 0 394.469 4.368 20 0 GIADRO Cc1nc2sccc2c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165028864 721798480 /nfs/dbraw/zinc/79/84/80/721798480.db2.gz ZYRFNGZBVWBEMK-PWIZWCRZSA-N 1 0 393.560 4.132 20 0 GIADRO Cc1csc2ncnc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c12 ZINC001165019639 721799386 /nfs/dbraw/zinc/79/93/86/721799386.db2.gz DKDZUCGRNFEXGZ-WDSOQIARSA-N 1 0 393.560 4.132 20 0 GIADRO CC(C)Oc1cccc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165023497 721815350 /nfs/dbraw/zinc/81/53/50/721815350.db2.gz HFURKHSZFWLGBY-JBACZVJFSA-N 1 0 380.536 4.001 20 0 GIADRO CC(C)Oc1cccc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165023496 721815545 /nfs/dbraw/zinc/81/55/45/721815545.db2.gz HFURKHSZFWLGBY-CEWLAPEOSA-N 1 0 380.536 4.001 20 0 GIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc4[nH]ccc4cc3Cl)C[C@@H]21 ZINC001165028171 721816838 /nfs/dbraw/zinc/81/68/38/721816838.db2.gz WMGILWNXFZUBKS-IMFGXOCKSA-N 1 0 395.938 4.300 20 0 GIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nnc(Cl)c4ccoc43)C[C@H]21 ZINC001165025960 721818174 /nfs/dbraw/zinc/81/81/74/721818174.db2.gz OMXPJVJLFCONPA-BMGDILEWSA-N 1 0 397.910 4.008 20 0 GIADRO Cc1csc2cnc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)nc12 ZINC001165020751 721821127 /nfs/dbraw/zinc/82/11/27/721821127.db2.gz DPFFFOUQJVRTTC-QXAKKESOSA-N 1 0 393.560 4.132 20 0 GIADRO CSc1cnc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c(C)c1 ZINC001165028976 721821763 /nfs/dbraw/zinc/82/17/63/721821763.db2.gz WCCVDYVWUSASRT-IOMROCGXSA-N 1 0 382.577 4.244 20 0 GIADRO CCSc1ccnc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165021406 721829217 /nfs/dbraw/zinc/82/92/17/721829217.db2.gz FIFFIDWLQDWICF-WMQCIHAUSA-N 1 0 382.577 4.326 20 0 GIADRO CCc1nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c(Cl)nc1C ZINC001165029606 721831281 /nfs/dbraw/zinc/83/12/81/721831281.db2.gz XGZXAKDXBHYJEQ-HQRMLTQVSA-N 1 0 399.970 4.133 20 0 GIADRO FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CC[NH+](C2CCCC2)CC1 ZINC001165032045 721861398 /nfs/dbraw/zinc/86/13/98/721861398.db2.gz KSNLFDKIACIERS-UHFFFAOYSA-N 1 0 392.881 4.407 20 0 GIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nccc5ccoc54)CC3)C2)cc1 ZINC001164939842 721922114 /nfs/dbraw/zinc/92/21/14/721922114.db2.gz NXSUYXDVZIEBAN-UHFFFAOYSA-N 1 0 377.488 4.008 20 0 GIADRO COc1ccc(Oc2cc(N3CCCC[C@H]3CC[NH+]3CCCC3)nc(C)n2)cc1 ZINC001165050564 721978086 /nfs/dbraw/zinc/97/80/86/721978086.db2.gz VHXLNKLWNDVUON-IBGZPJMESA-N 1 0 396.535 4.431 20 0 GIADRO CC[NH+](CC)C1CCN([C@H](F)Oc2cccc(-c3ccc(Cl)nn3)c2)CC1 ZINC001165054534 722006724 /nfs/dbraw/zinc/00/67/24/722006724.db2.gz PNRZEFPFTSKSBK-FQEVSTJZSA-N 1 0 392.906 4.235 20 0 GIADRO Clc1cc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c2cccnc2n1 ZINC001164952985 722016509 /nfs/dbraw/zinc/01/65/09/722016509.db2.gz QHFLNXBOFOYDJJ-UHFFFAOYSA-N 1 0 393.922 4.171 20 0 GIADRO Clc1cccc2nc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)ncc12 ZINC001164953615 722018752 /nfs/dbraw/zinc/01/87/52/722018752.db2.gz VUURYEHXVKLKOL-UHFFFAOYSA-N 1 0 393.922 4.171 20 0 GIADRO CC(C)(C)c1cc(Cl)nc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164955641 722020696 /nfs/dbraw/zinc/02/06/96/722020696.db2.gz LQKGVCOPAUPFKA-UHFFFAOYSA-N 1 0 399.970 4.315 20 0 GIADRO c1ccc2c(c1)[C@H]1CN(c3ncccc3C[NH+]3CCCC3)C[C@H]1[C@@H]2OCC1CC1 ZINC001164977448 722171566 /nfs/dbraw/zinc/17/15/66/722171566.db2.gz NXZWZRDDYAYVQL-WXFUMESZSA-N 1 0 389.543 4.379 20 0 GIADRO Cc1cc2c(ncnc2N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)s1 ZINC001164993207 722191369 /nfs/dbraw/zinc/19/13/69/722191369.db2.gz CKZSJNPDIPYTDH-NRFANRHFSA-N 1 0 382.508 4.384 20 0 GIADRO Cc1nc2ccsc2c(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164993941 722191395 /nfs/dbraw/zinc/19/13/95/722191395.db2.gz JQUPTZLJBFCNRV-OAQYLSRUSA-N 1 0 382.508 4.384 20 0 GIADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2nnc(Cl)c4ccncc42)C3)c1 ZINC001164993654 722194648 /nfs/dbraw/zinc/19/46/48/722194648.db2.gz GVRCZSAZJTYQDI-OAQYLSRUSA-N 1 0 397.885 4.062 20 0 GIADRO Cn1ccc2c1nc(Cl)nc2N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164993203 722197044 /nfs/dbraw/zinc/19/70/44/722197044.db2.gz CJYJJHPNIJJNJH-OAQYLSRUSA-N 1 0 399.901 4.006 20 0 GIADRO COc1cccc2ncnc(N3CCC[C@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)c21 ZINC001164994076 722208700 /nfs/dbraw/zinc/20/87/00/722208700.db2.gz FIWBCSLREXOCCB-QHCPKHFHSA-N 1 0 392.478 4.022 20 0 GIADRO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccnn1C1CCCC1 ZINC000570493783 823046161 /nfs/dbraw/zinc/04/61/61/823046161.db2.gz ZGVJSCIXMJXXNI-FQEVSTJZSA-N 1 0 380.536 4.030 20 0 GIADRO COc1c(Br)cccc1C[NH2+][C@@H](C)C[C@H](O)c1ccc(F)cc1 ZINC000187345711 823046863 /nfs/dbraw/zinc/04/68/63/823046863.db2.gz QSBHGJOWCRKVAZ-SJCJKPOMSA-N 1 0 382.273 4.199 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)N2CC(C)(CC(F)(F)F)C2)CC[N@@H+]1Cc1ccccc1 ZINC000458490964 823047055 /nfs/dbraw/zinc/04/70/55/823047055.db2.gz JMJNOMOOIATNCU-NVXWUHKLSA-N 1 0 383.458 4.023 20 0 GIADRO C[C@H](NC(=O)C[N@@H+]1CCC[C@@H]1C[C@H](O)c1cccs1)c1ccc(Cl)cc1 ZINC000175819755 823047688 /nfs/dbraw/zinc/04/76/88/823047688.db2.gz OKRJENPWXGYPFP-QGTPRVQTSA-N 1 0 392.952 4.167 20 0 GIADRO Clc1ccc(-n2cc(N[C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)cn2)cc1 ZINC000570507652 823048072 /nfs/dbraw/zinc/04/80/72/823048072.db2.gz YZILPVCXOVYPEH-CTNGQTDRSA-N 1 0 380.879 4.194 20 0 GIADRO CCOC(=O)c1c(C)c2ccccc2nc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000570511918 823048190 /nfs/dbraw/zinc/04/81/90/823048190.db2.gz KRMHGYQRLSZLLK-DYESRHJHSA-N 1 0 382.504 4.111 20 0 GIADRO C[C@H](CCCc1cccnc1)NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000458501728 823048258 /nfs/dbraw/zinc/04/82/58/823048258.db2.gz LBXKJSKZYVRZNY-VIZSFHNOSA-N 1 0 394.563 4.003 20 0 GIADRO O=S1(=O)CCc2cc(C[NH2+][C@@H]3CC=C(c4ccc(Cl)cc4)CC3)ccc21 ZINC000570516690 823048865 /nfs/dbraw/zinc/04/88/65/823048865.db2.gz KMFSWTVHPGALKX-HXUWFJFHSA-N 1 0 387.932 4.396 20 0 GIADRO Cc1ccc(NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)c(OC[C@H]2CCCO2)c1 ZINC000570525332 823049899 /nfs/dbraw/zinc/04/98/99/823049899.db2.gz LNEJBDQFCIHBAC-LEWJYISDSA-N 1 0 394.515 4.013 20 0 GIADRO Cc1ccc(NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(OC[C@@H]2CCCO2)c1 ZINC000570525334 823049913 /nfs/dbraw/zinc/04/99/13/823049913.db2.gz LNEJBDQFCIHBAC-RTWAWAEBSA-N 1 0 394.515 4.013 20 0 GIADRO COC[C@H](C[NH2+]C1CCC2(CC1)C(=O)Nc1ccccc12)c1ccc(Cl)cc1 ZINC000570524822 823049945 /nfs/dbraw/zinc/04/99/45/823049945.db2.gz RNWRQMLOYOLNNR-OYMFQORVSA-N 1 0 398.934 4.492 20 0 GIADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+][C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000187363583 823050065 /nfs/dbraw/zinc/05/00/65/823050065.db2.gz MGSZYOWLQYQYCI-MJGOQNOKSA-N 1 0 393.936 4.144 20 0 GIADRO O=C(NCc1ccc2c[nH+]cn2c1)N1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000570536436 823051021 /nfs/dbraw/zinc/05/10/21/823051021.db2.gz NTLBYPNDVDMPDB-UHFFFAOYSA-N 1 0 391.450 4.044 20 0 GIADRO COc1cccc([C@@H]2[C@H](NC(=O)[C@@H]3CC[C@@H](C(F)(F)F)C3)CC[N@@H+]2C2CC2)c1 ZINC000570535891 823051035 /nfs/dbraw/zinc/05/10/35/823051035.db2.gz BXYGNDVUMUJJIS-OHDICMOHSA-N 1 0 396.453 4.068 20 0 GIADRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CC[C@@H](C(F)(F)F)C1(C)C)[NH+](C)C ZINC000570541236 823051483 /nfs/dbraw/zinc/05/14/83/823051483.db2.gz MLJMARSOINRZHI-OIISXLGYSA-N 1 0 385.474 4.359 20 0 GIADRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CC[C@H](C(F)(F)F)C1(C)C)[NH+](C)C ZINC000570541237 823051504 /nfs/dbraw/zinc/05/15/04/823051504.db2.gz MLJMARSOINRZHI-PVAVHDDUSA-N 1 0 385.474 4.359 20 0 GIADRO Cc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)cc1Br ZINC000120722000 823052489 /nfs/dbraw/zinc/05/24/89/823052489.db2.gz GTRZXKLUGBZEFD-OXJNMPFZSA-N 1 0 388.353 4.153 20 0 GIADRO CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CC[C@H](O)CC(C)(C)C2)c1 ZINC000458539147 823052692 /nfs/dbraw/zinc/05/26/92/823052692.db2.gz JFVOWRVBUOVKKM-NRFANRHFSA-N 1 0 389.584 4.001 20 0 GIADRO O=C(c1ccccc1C(F)(F)F)N1CCC([NH2+]Cc2cc(F)ccc2F)CC1 ZINC000187380595 823052974 /nfs/dbraw/zinc/05/29/74/823052974.db2.gz GWLVQNXZXHTSLB-UHFFFAOYSA-N 1 0 398.375 4.378 20 0 GIADRO CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CC[C@H](OCC)[C@@H](C)C2)c1 ZINC000458545753 823053637 /nfs/dbraw/zinc/05/36/37/823053637.db2.gz PMKKLEWNYHEQHW-UGKGYDQZSA-N 1 0 389.584 4.265 20 0 GIADRO COc1cc([C@H](C)[NH2+]CCc2cc(F)cc3c2OCOC3)ccc1SC ZINC000120736333 823054790 /nfs/dbraw/zinc/05/47/90/823054790.db2.gz VVJUARQYMRHKLU-ZDUSSCGKSA-N 1 0 377.481 4.316 20 0 GIADRO O=C(c1ccc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)cc1)N1CCCC1 ZINC000175850111 823055311 /nfs/dbraw/zinc/05/53/11/823055311.db2.gz FMJYJZHERYYXJD-WOJBJXKFSA-N 1 0 384.545 4.072 20 0 GIADRO CCc1nocc1CN(C)C(=O)NC[C@H](CC(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000458555930 823055502 /nfs/dbraw/zinc/05/55/02/823055502.db2.gz MHMKRILVIBIZRG-XLIONFOSSA-N 1 0 386.540 4.144 20 0 GIADRO C[C@@H](CC(=O)N(C)C)[NH2+]C[C@@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000120747004 823056251 /nfs/dbraw/zinc/05/62/51/823056251.db2.gz DANRWOPAYKSSLV-MAUKXSAKSA-N 1 0 383.923 4.410 20 0 GIADRO C[C@H](CC(=O)N(C)C)[NH2+]C[C@@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000120747161 823056298 /nfs/dbraw/zinc/05/62/98/823056298.db2.gz DANRWOPAYKSSLV-CRAIPNDOSA-N 1 0 383.923 4.410 20 0 GIADRO CC1CC[NH+](C2CCC(NC(=O)N3CC[C@@H](C(F)(F)F)C[C@@H]3C)CC2)CC1 ZINC000458563310 823056482 /nfs/dbraw/zinc/05/64/82/823056482.db2.gz HBILUDNJASNUNU-KNXWPPODSA-N 1 0 389.506 4.402 20 0 GIADRO COc1ccc(OC)c(CCC[NH2+][C@@H](C)c2ncc(Br)cc2F)c1 ZINC000187403420 823056514 /nfs/dbraw/zinc/05/65/14/823056514.db2.gz GWWIRBDRCYOPTM-LBPRGKRZSA-N 1 0 397.288 4.284 20 0 GIADRO C[C@H](N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1ncc(Br)cc1F ZINC000187403540 823056655 /nfs/dbraw/zinc/05/66/55/823056655.db2.gz GUAIMAMOOZBIBL-BJOOFOGMSA-N 1 0 378.289 4.079 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000120751697 823057067 /nfs/dbraw/zinc/05/70/67/823057067.db2.gz OUKROKFPLGYDOZ-FGZHOGPDSA-N 1 0 398.934 4.287 20 0 GIADRO Cc1cc(C)c(NC(=O)CNc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)c1 ZINC000055870230 823057414 /nfs/dbraw/zinc/05/74/14/823057414.db2.gz OOBRUOVVTQFSTL-BGYRXZFFSA-N 1 0 395.547 4.272 20 0 GIADRO Cc1ncc(NC(=O)N[C@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cn1 ZINC000570584931 823057441 /nfs/dbraw/zinc/05/74/41/823057441.db2.gz AMVYWCZQHKTBIR-FOUFQHLJSA-N 1 0 399.926 4.174 20 0 GIADRO Cc1ccc(C[NH2+]C[C@H]2CCN(c3ccc(F)cc3)C2)c(-c2cnn(C)c2)c1 ZINC000570585386 823057827 /nfs/dbraw/zinc/05/78/27/823057827.db2.gz RHPZXIHYIZNPEV-GOSISDBHSA-N 1 0 378.495 4.151 20 0 GIADRO Cc1cc2c(cc1C)[C@@H]([NH2+][C@@H](C)Cn1ncc3ccccc3c1=O)CCS2 ZINC000187409649 823058069 /nfs/dbraw/zinc/05/80/69/823058069.db2.gz XPQWPOALIDAUIS-JXFKEZNVSA-N 1 0 379.529 4.229 20 0 GIADRO COc1ccc(F)cc1[C@H](C)NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000175862749 823058081 /nfs/dbraw/zinc/05/80/81/823058081.db2.gz JJSRAOFOYARZQX-KRWDZBQOSA-N 1 0 399.510 4.201 20 0 GIADRO Cc1nn(C)c2ncc(C[N@@H+]3CCCCC[C@H]3C[C@H](O)c3cccs3)cc12 ZINC000175863824 823058330 /nfs/dbraw/zinc/05/83/30/823058330.db2.gz SZBLKGPJICHCDF-HKUYNNGSSA-N 1 0 384.549 4.207 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+]CCc2cc(F)cc3c2OCOC3)cc1OCC ZINC000120764493 823059500 /nfs/dbraw/zinc/05/95/00/823059500.db2.gz ASAUBLNEAVOKNW-OAHLLOKOSA-N 1 0 389.467 4.383 20 0 GIADRO CC[C@H](NC(=O)NC[C@H](c1ccc(SC)cc1)[NH+](C)C)c1c(C)noc1C ZINC000458587510 823059888 /nfs/dbraw/zinc/05/98/88/823059888.db2.gz JLAXGPORJROPSN-ZWKOTPCHSA-N 1 0 390.553 4.067 20 0 GIADRO Fc1cccc([C@@H](C[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)N2CCOCC2)c1 ZINC000570599835 823060153 /nfs/dbraw/zinc/06/01/53/823060153.db2.gz LWROYKDHFLYADS-XZOQPEGZSA-N 1 0 393.506 4.348 20 0 GIADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000175872977 823060838 /nfs/dbraw/zinc/06/08/38/823060838.db2.gz SJUPDGSFBYVGJO-MBSDFSHPSA-N 1 0 396.531 4.449 20 0 GIADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000175873032 823060845 /nfs/dbraw/zinc/06/08/45/823060845.db2.gz SJUPDGSFBYVGJO-WZONZLPQSA-N 1 0 396.531 4.449 20 0 GIADRO CCC[N@H+](CCc1cccs1)Cc1ncc(I)s1 ZINC000570605283 823061048 /nfs/dbraw/zinc/06/10/48/823061048.db2.gz TZARBMJIIFPMFE-UHFFFAOYSA-N 1 0 392.331 4.264 20 0 GIADRO O=C(N[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000570605664 823061343 /nfs/dbraw/zinc/06/13/43/823061343.db2.gz AKYOEPZBAAQIHD-RZUBCFFCSA-N 1 0 397.950 4.400 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)NC1CCC(OC(C)C)CC1 ZINC000120784843 823063554 /nfs/dbraw/zinc/06/35/54/823063554.db2.gz BWLUTUMZHOZYAW-UHFFFAOYSA-N 1 0 375.557 4.064 20 0 GIADRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]2c2nc3ccccc3s2)cc1 ZINC000055898150 823063423 /nfs/dbraw/zinc/06/34/23/823063423.db2.gz HNYMPDYTKREVHF-GOSISDBHSA-N 1 0 381.501 4.471 20 0 GIADRO OCCC[C@H]([NH2+]Cc1ccc(OCc2ccccc2F)nc1)c1ccccc1 ZINC000187431116 823062425 /nfs/dbraw/zinc/06/24/25/823062425.db2.gz BQVDTMLMYPOMSP-QFIPXVFZSA-N 1 0 380.463 4.403 20 0 GIADRO C[C@H](c1nc2ccccc2s1)[N@H+](C)CCC(=O)N1CCc2sccc2C1 ZINC000055899656 823063585 /nfs/dbraw/zinc/06/35/85/823063585.db2.gz RLWXJOSAEVXGKH-CQSZACIVSA-N 1 0 385.558 4.326 20 0 GIADRO O=C(CC[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1)N1CCc2sccc2C1 ZINC000055902112 823063950 /nfs/dbraw/zinc/06/39/50/823063950.db2.gz STTDIOTYEBPKIK-QGZVFWFLSA-N 1 0 395.528 4.044 20 0 GIADRO O=C(NCc1ccco1)c1cccc(C[N@H+]2CC=C(c3ccc(O)cc3)CC2)c1 ZINC000055900340 823064121 /nfs/dbraw/zinc/06/41/21/823064121.db2.gz QFYUTLCMVSGXAW-UHFFFAOYSA-N 1 0 388.467 4.205 20 0 GIADRO CSCc1cccc(NC(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)c1 ZINC000120804279 823067707 /nfs/dbraw/zinc/06/77/07/823067707.db2.gz FMZWVBZXVYRPHQ-MRXNPFEDSA-N 1 0 384.549 4.292 20 0 GIADRO CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)cc1 ZINC000175892746 823065259 /nfs/dbraw/zinc/06/52/59/823065259.db2.gz DBRPGWNRAOBOAD-MRXNPFEDSA-N 1 0 383.492 4.006 20 0 GIADRO Cn1nccc1[C@H]1CCC[C@@H]([NH2+]CC2(c3ccc4c(c3)OCCO4)CCCC2)C1 ZINC000570638588 823065393 /nfs/dbraw/zinc/06/53/93/823065393.db2.gz WKZFOYINBZEVRA-AZUAARDMSA-N 1 0 395.547 4.319 20 0 GIADRO O=C(NC1CC[NH+](C2CC2)CC1)C1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000187456601 823067028 /nfs/dbraw/zinc/06/70/28/823067028.db2.gz KDLQVZQGGQHDDQ-UHFFFAOYSA-N 1 0 386.845 4.133 20 0 GIADRO C[C@H](NC(=O)N1CCC[C@@H]1c1ccc(F)cc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000458632434 823067234 /nfs/dbraw/zinc/06/72/34/823067234.db2.gz NLHAAAKGNMBMBD-GCKMJXCFSA-N 1 0 391.506 4.464 20 0 GIADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@@H](C)c1c(Cl)cccc1Cl ZINC000175900136 823067282 /nfs/dbraw/zinc/06/72/82/823067282.db2.gz RREIXFFQGXJANX-FZKQIMNGSA-N 1 0 387.351 4.006 20 0 GIADRO C[C@H](c1cccnc1)N(C)C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000187468031 823068888 /nfs/dbraw/zinc/06/88/88/823068888.db2.gz GJFOCUQJDSJHHU-RDTXWAMCSA-N 1 0 394.441 4.106 20 0 GIADRO O=C(Nc1ccc(Oc2cccc(C(F)(F)F)c2)cc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000570663947 823068966 /nfs/dbraw/zinc/06/89/66/823068966.db2.gz WOLFVHCMBCXKPU-OKILXGFUSA-N 1 0 391.393 4.181 20 0 GIADRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)N(Cc1ccccc1C(F)(F)F)CC1CC1 ZINC000570667460 823069629 /nfs/dbraw/zinc/06/96/29/823069629.db2.gz SXOWARAFVIVUFF-DKEAGERHSA-N 1 0 395.469 4.143 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCC2(c3ccc(C(F)(F)F)cc3)CC2)[C@H](C)C1 ZINC000187473131 823070310 /nfs/dbraw/zinc/07/03/10/823070310.db2.gz IUDLGEAJNWLJGM-QAPCUYQASA-N 1 0 397.485 4.109 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)N[C@H](c2ccc(F)cc2)[C@@H]2CCCO2)cc1 ZINC000055946207 823070498 /nfs/dbraw/zinc/07/04/98/823070498.db2.gz MJRADFNNFVDTJB-FCHUYYIVSA-N 1 0 384.495 4.318 20 0 GIADRO [NH3+][C@@H](CCC(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccccc1 ZINC000570675193 823070844 /nfs/dbraw/zinc/07/08/44/823070844.db2.gz VOLSAGILYQZSEW-FQEVSTJZSA-N 1 0 389.503 4.090 20 0 GIADRO FC(F)(F)c1cccc(-c2noc(C[N@@H+]3CCC[C@H]3[C@H]3CCCOC3)n2)c1 ZINC000570679258 823071266 /nfs/dbraw/zinc/07/12/66/823071266.db2.gz QTDVRKLHXPYTPH-HOCLYGCPSA-N 1 0 381.398 4.146 20 0 GIADRO COc1cc([C@@H](C)N[C@@H](C[NH+]2CCCC2)c2ccccc2)cc(OC)c1OC ZINC000120828383 823072564 /nfs/dbraw/zinc/07/25/64/823072564.db2.gz JZABCVUDFWDOQS-XLIONFOSSA-N 1 0 384.520 4.200 20 0 GIADRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccsc1)c1ccc2ncsc2c1 ZINC000458677669 823073051 /nfs/dbraw/zinc/07/30/51/823073051.db2.gz PPXHLIWYUAINOP-CQSZACIVSA-N 1 0 388.562 4.192 20 0 GIADRO NC(=O)c1csc(C[NH+]2CCC(COc3ccccc3C(F)(F)F)CC2)c1 ZINC000187485393 823073165 /nfs/dbraw/zinc/07/31/65/823073165.db2.gz VAMVTWHVDDUBTG-UHFFFAOYSA-N 1 0 398.450 4.157 20 0 GIADRO CC(C)c1noc(-c2ccc(NC(=O)N(C)CC[C@H]3CCCC[N@@H+]3C)cc2)n1 ZINC000175922111 823073424 /nfs/dbraw/zinc/07/34/24/823073424.db2.gz FEJNHQBJOWVKDQ-GOSISDBHSA-N 1 0 385.512 4.198 20 0 GIADRO Cc1cc(NC(=O)c2c[nH]c(C(F)(F)F)c2)ccc1OCC[NH+]1CCCC1 ZINC000570702345 823073520 /nfs/dbraw/zinc/07/35/20/823073520.db2.gz MPQCIKCLXQLOTA-UHFFFAOYSA-N 1 0 381.398 4.069 20 0 GIADRO COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H]2CN(Cc3ccccc3)CCCO2)cc1 ZINC000570704223 823073798 /nfs/dbraw/zinc/07/37/98/823073798.db2.gz NRNXQOSPJTUKSZ-YOSAUDMPSA-N 1 0 382.548 4.068 20 0 GIADRO CN(C(=O)NCc1ccc(C2CC2)cc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458698465 823075634 /nfs/dbraw/zinc/07/56/34/823075634.db2.gz NUNKMNALIMLFLW-UHFFFAOYSA-N 1 0 383.458 4.122 20 0 GIADRO Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000458701487 823076036 /nfs/dbraw/zinc/07/60/36/823076036.db2.gz CPFLQRJBSDFGOV-RDTXWAMCSA-N 1 0 383.458 4.114 20 0 GIADRO Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000458701471 823076074 /nfs/dbraw/zinc/07/60/74/823076074.db2.gz CPFLQRJBSDFGOV-KBXCAEBGSA-N 1 0 383.458 4.114 20 0 GIADRO CSc1ccc([C@@H](CNC(=O)NCC2(C(F)(F)F)CCC2)[NH+](C)C)cc1 ZINC000458752385 823081495 /nfs/dbraw/zinc/08/14/95/823081495.db2.gz JGZJFDQOGRIALD-OAHLLOKOSA-N 1 0 389.487 4.043 20 0 GIADRO C[C@@H](C(=O)Nc1ccccc1CN1CCSCC1)c1c(F)cccc1F ZINC000120855387 823077628 /nfs/dbraw/zinc/07/76/28/823077628.db2.gz YSLNOIGJIYZNDN-CQSZACIVSA-N 1 0 376.472 4.256 20 0 GIADRO COc1ccc(-c2nc3c(s2)[C@@H]([NH2+]Cc2ncccc2N(C)C)CCC3)cc1 ZINC000570733013 823078008 /nfs/dbraw/zinc/07/80/08/823078008.db2.gz ACKHGHBLJSGFAG-KRWDZBQOSA-N 1 0 394.544 4.447 20 0 GIADRO CCN(CC)C(=O)CCC1CC[NH+](Cc2ccc3c(c2)COC(C)(C)O3)CC1 ZINC000187513738 823078616 /nfs/dbraw/zinc/07/86/16/823078616.db2.gz WBACLEUDYKQLGN-UHFFFAOYSA-N 1 0 388.552 4.192 20 0 GIADRO 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 823080257 /nfs/dbraw/zinc/08/02/57/823080257.db2.gz NEJCSJSEBWVJJJ-ISARSNTHSA-N 1 0 397.485 4.269 20 0 GIADRO Cc1cc(C)c(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1Br ZINC000187520785 823080340 /nfs/dbraw/zinc/08/03/40/823080340.db2.gz CHEIVWIGRNOTJT-UHFFFAOYSA-N 1 0 382.346 4.450 20 0 GIADRO C[NH+](C)Cc1ccccc1C(=O)Nc1nnc([C@@H]2CCCc3ccccc32)s1 ZINC000570751203 823080867 /nfs/dbraw/zinc/08/08/67/823080867.db2.gz WIVAXGALGGAKRI-LJQANCHMSA-N 1 0 392.528 4.320 20 0 GIADRO Cc1cccnc1[C@@H]([NH2+][C@H](C)C(=O)Nc1nc2ccc(F)cc2s1)C(C)C ZINC000120882009 823081843 /nfs/dbraw/zinc/08/18/43/823081843.db2.gz WKYATRVELXHDFR-DYVFJYSZSA-N 1 0 386.496 4.453 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)C1(c2ccccc2)CCOCC1 ZINC000056042455 823081209 /nfs/dbraw/zinc/08/12/09/823081209.db2.gz OPFAEEMWDMORQI-UHFFFAOYSA-N 1 0 392.543 4.402 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)N2CCC[C@H]2c2nc3ccccc3s2)CC1 ZINC000175958512 823082133 /nfs/dbraw/zinc/08/21/33/823082133.db2.gz CZZFQRPPSRWXNL-SFHVURJKSA-N 1 0 386.565 4.265 20 0 GIADRO CC[C@H](C)[NH2+][C@H](CNC(=O)N1CC(c2cccc(Cl)c2)C1)c1ccco1 ZINC000458761381 823082249 /nfs/dbraw/zinc/08/22/49/823082249.db2.gz HMNGPMUHQLLSOQ-KBXCAEBGSA-N 1 0 375.900 4.171 20 0 GIADRO CCC[C@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(F)cc1F ZINC000120889712 823082577 /nfs/dbraw/zinc/08/25/77/823082577.db2.gz CGOHIJDARDSENQ-XOBRGWDASA-N 1 0 396.503 4.407 20 0 GIADRO Cc1cccnc1[C@H]([NH2+]CC(=O)Nc1ccnn1CC1CCCCC1)C(C)C ZINC000120888294 823082667 /nfs/dbraw/zinc/08/26/67/823082667.db2.gz CMMVCDJIJFTLPQ-OAQYLSRUSA-N 1 0 383.540 4.092 20 0 GIADRO O=C(c1ccc(C[N@@H+]2CC[C@@H](OCCCc3ccccc3)C2)cc1)N1CCCC1 ZINC000175960579 823082714 /nfs/dbraw/zinc/08/27/14/823082714.db2.gz RCBJLUGPTUSJTA-XMMPIXPASA-N 1 0 392.543 4.146 20 0 GIADRO O=C(CC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1)Nc1cccnc1 ZINC000570771824 823084934 /nfs/dbraw/zinc/08/49/34/823084934.db2.gz BGOQVLLWTUCODQ-UHFFFAOYSA-N 1 0 397.482 4.053 20 0 GIADRO C[NH+](C)Cc1cccc(C(=O)Nc2cc(-c3ccc(OC(F)F)cc3)no2)c1 ZINC000175971894 823085461 /nfs/dbraw/zinc/08/54/61/823085461.db2.gz SVGPPJWQNKFUAW-UHFFFAOYSA-N 1 0 387.386 4.257 20 0 GIADRO Cc1ccc(C[NH+]2CCC(c3nnc4ccccn43)CC2)cc1Br ZINC000120911290 823085576 /nfs/dbraw/zinc/08/55/76/823085576.db2.gz KDLSAHCCEDSRAQ-UHFFFAOYSA-N 1 0 385.309 4.180 20 0 GIADRO O=C(C[NH+]1CCC(c2ncc3n2CCCC3)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000570776481 823085860 /nfs/dbraw/zinc/08/58/60/823085860.db2.gz IJFCLKIOXNIOMG-UHFFFAOYSA-N 1 0 381.564 4.184 20 0 GIADRO Cc1ccc(C)c(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)c1 ZINC000056159740 823092180 /nfs/dbraw/zinc/09/21/80/823092180.db2.gz XPUCZVGLUOFQOQ-IRXDYDNUSA-N 1 0 394.519 4.265 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc(OCc2cccnc2)cc1)C(=O)Nc1cccc(F)c1 ZINC000056144352 823087634 /nfs/dbraw/zinc/08/76/34/823087634.db2.gz JCCHJYFPBDJTCN-IRXDYDNUSA-N 1 0 393.462 4.478 20 0 GIADRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)CC1 ZINC000570800617 823089265 /nfs/dbraw/zinc/08/92/65/823089265.db2.gz URVYGXLLANCVEX-KZNAEPCWSA-N 1 0 381.347 4.334 20 0 GIADRO CCCCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000056153062 823089786 /nfs/dbraw/zinc/08/97/86/823089786.db2.gz PSBAXJDSPUBIGV-ROUUACIJSA-N 1 0 381.520 4.284 20 0 GIADRO COc1cc(Br)ccc1C[NH2+][C@@H](C)c1ccc(NC(C)=O)cc1 ZINC000187576245 823091215 /nfs/dbraw/zinc/09/12/15/823091215.db2.gz RAOWCYHRXUFPFO-LBPRGKRZSA-N 1 0 377.282 4.267 20 0 GIADRO C[C@H]1CC([NH2+]Cc2cc(Br)ccc2Br)C[C@H](C)O1 ZINC000187576164 823091305 /nfs/dbraw/zinc/09/13/05/823091305.db2.gz DHSDVTXTQSFLLP-UWVGGRQHSA-N 1 0 377.120 4.257 20 0 GIADRO CN(C(=O)NCc1ccc2sccc2c1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458817443 823091362 /nfs/dbraw/zinc/09/13/62/823091362.db2.gz SOKLSKASTWEURD-UHFFFAOYSA-N 1 0 399.482 4.460 20 0 GIADRO C[C@H]1CN(C(=O)NCC[C@H](c2ccccc2)C(F)(F)F)CC[N@@H+](C2CCC2)C1 ZINC000458818587 823091599 /nfs/dbraw/zinc/09/15/99/823091599.db2.gz MZKSNZKSWKQXRS-VQIMIIECSA-N 1 0 397.485 4.238 20 0 GIADRO CCCOc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(F)cc2F)cc1OC ZINC000056161924 823092912 /nfs/dbraw/zinc/09/29/12/823092912.db2.gz UEQFHULPLMOIQA-KBPBESRZSA-N 1 0 392.446 4.440 20 0 GIADRO CN(C(=O)NC[C@@H]1C[C@H]1C1CCCCC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458831917 823093979 /nfs/dbraw/zinc/09/39/79/823093979.db2.gz FXCCXGVOVYLKMY-WMZOPIPTSA-N 1 0 389.506 4.261 20 0 GIADRO Cc1cccnc1[C@H]([NH2+]CC(=O)N(C)Cc1c(F)cccc1Cl)C(C)C ZINC000120969532 823094996 /nfs/dbraw/zinc/09/49/96/823094996.db2.gz CTLUTDMQUQUYSG-LJQANCHMSA-N 1 0 377.891 4.128 20 0 GIADRO COc1ccc(OC)c(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(OC(C)C)cc2)c1 ZINC000056170543 823095014 /nfs/dbraw/zinc/09/50/14/823095014.db2.gz RJFJCESHXVCFBS-HOTGVXAUSA-N 1 0 386.492 4.169 20 0 GIADRO O=C(NCC[C@H](c1ccccc1)C(F)(F)F)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000458853967 823097876 /nfs/dbraw/zinc/09/78/76/823097876.db2.gz WTDRUPPEXUDLCU-RBUKOAKNSA-N 1 0 397.485 4.383 20 0 GIADRO CCCN(CC[NH+]1CCCCCC1)C(=O)Nc1cnc2c(cnn2C(C)C)c1 ZINC000570850729 823095450 /nfs/dbraw/zinc/09/54/50/823095450.db2.gz WFMBLTMCQGWVCD-UHFFFAOYSA-N 1 0 386.544 4.132 20 0 GIADRO Cc1ccc(NC(=O)N(CCC(F)(F)F)CC2CC2)c(OCC[NH+](C)C)c1 ZINC000176012650 823095603 /nfs/dbraw/zinc/09/56/03/823095603.db2.gz MUVXGLCYSQIZBH-UHFFFAOYSA-N 1 0 387.446 4.132 20 0 GIADRO CCOc1cccc([C@H](C)NC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000176012240 823095620 /nfs/dbraw/zinc/09/56/20/823095620.db2.gz LVQNGTPPYNKLGO-PZJWPPBQSA-N 1 0 395.547 4.310 20 0 GIADRO Cc1cccnc1[C@@H]([NH2+][C@H](C)C(=O)Nc1ccccc1Br)C(C)C ZINC000120975736 823095877 /nfs/dbraw/zinc/09/58/77/823095877.db2.gz YYVCUHSRLXUFCN-PBHICJAKSA-N 1 0 390.325 4.466 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1c(F)cccc1Br ZINC000176014324 823095947 /nfs/dbraw/zinc/09/59/47/823095947.db2.gz CHTKYQWPUJCNQI-UHFFFAOYSA-N 1 0 393.300 4.358 20 0 GIADRO COc1ccc2ccccc2c1C[NH2+][C@@H](C)CC(=O)Nc1cccnc1Cl ZINC000120980248 823096608 /nfs/dbraw/zinc/09/66/08/823096608.db2.gz CNYNQDSPJZPTCC-AWEZNQCLSA-N 1 0 383.879 4.404 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[C@H](c2ccccc2)C(F)(F)F)C[C@H]1C ZINC000458846758 823097023 /nfs/dbraw/zinc/09/70/23/823097023.db2.gz PTXVPTZOEXPVKJ-BPQIPLTHSA-N 1 0 385.474 4.237 20 0 GIADRO O=C(CCc1cc(Cl)ccc1Br)N1CCC([NH+]2CCCC2)CC1 ZINC000176020627 823097544 /nfs/dbraw/zinc/09/75/44/823097544.db2.gz KQIDMJITNARTJW-UHFFFAOYSA-N 1 0 399.760 4.122 20 0 GIADRO C[NH+](C)CCC1CCN(C(=O)NCC[C@H](c2ccccc2)C(F)(F)F)CC1 ZINC000458854543 823098182 /nfs/dbraw/zinc/09/81/82/823098182.db2.gz XOBGFWBXSGTJSL-GOSISDBHSA-N 1 0 385.474 4.096 20 0 GIADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)N[C@@H]2CCCc3c(F)cccc32)CC1 ZINC000458891793 823102696 /nfs/dbraw/zinc/10/26/96/823102696.db2.gz VSAIVMYLGUSUCK-OAQYLSRUSA-N 1 0 385.483 4.102 20 0 GIADRO COc1cccc(-c2ccc(CNC(=O)N3CCC([NH+]4CCCC4)CC3)cc2)c1 ZINC000176024002 823098552 /nfs/dbraw/zinc/09/85/52/823098552.db2.gz BCPWCSIHXURGHJ-UHFFFAOYSA-N 1 0 393.531 4.132 20 0 GIADRO Cc1n[nH]cc1C[NH2+]Cc1ccc(NC(=O)CCCOc2ccccc2C)cc1 ZINC000120991861 823098711 /nfs/dbraw/zinc/09/87/11/823098711.db2.gz LOZMLEQUEXUZLR-UHFFFAOYSA-N 1 0 392.503 4.114 20 0 GIADRO CCc1nnc(-c2ccc(NC(=O)N3CC[NH+](CC4CCCCC4)CC3)cc2)o1 ZINC000176030886 823100328 /nfs/dbraw/zinc/10/03/28/823100328.db2.gz CFUBUHKTIZOIKL-UHFFFAOYSA-N 1 0 397.523 4.029 20 0 GIADRO CCc1nnc(-c2ccc(NC(=O)NC[C@H](c3ccco3)[NH+](CC)CC)cc2)o1 ZINC000176030867 823100350 /nfs/dbraw/zinc/10/03/50/823100350.db2.gz FYKFGKASSZFFNE-QGZVFWFLSA-N 1 0 397.479 4.097 20 0 GIADRO CCN(Cc1cccs1)C(=O)NC[C@H](c1ccc(SC)cc1)[NH+](C)C ZINC000458879698 823101014 /nfs/dbraw/zinc/10/10/14/823101014.db2.gz CKDLQKAZJNJAAI-GOSISDBHSA-N 1 0 377.579 4.304 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1cccc(OCc2ccccn2)c1)C(=O)Nc1cccc(F)c1 ZINC000056201321 823102096 /nfs/dbraw/zinc/10/20/96/823102096.db2.gz BLQPTDDLACKDGK-DLBZAZTESA-N 1 0 393.462 4.478 20 0 GIADRO CSc1ccc([C@H](CNC(=O)N2CC(C)(C)[C@@H]2c2cccnc2)[NH+](C)C)cc1 ZINC000458897959 823103262 /nfs/dbraw/zinc/10/32/62/823103262.db2.gz PMTVGIDJMLYPGE-PMACEKPBSA-N 1 0 398.576 4.199 20 0 GIADRO O=S1(=O)C[C@H]([NH2+][C@H](CCc2ccccc2)Cc2ccccc2)c2ccccc21 ZINC000570886397 823102135 /nfs/dbraw/zinc/10/21/35/823102135.db2.gz VODWNMFQRCOKNA-GGAORHGYSA-N 1 0 391.536 4.349 20 0 GIADRO Cc1nc(COc2ccc(N[C@@H]3C[C@H](C)[N@@H+](Cc4ccccc4)C3)cc2)no1 ZINC000121009883 823102255 /nfs/dbraw/zinc/10/22/55/823102255.db2.gz WGLORKKPPWDESL-OXJNMPFZSA-N 1 0 378.476 4.032 20 0 GIADRO CC(C)CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000056207098 823103183 /nfs/dbraw/zinc/10/31/83/823103183.db2.gz XPWSVPIMMJWBQI-DLBZAZTESA-N 1 0 399.510 4.279 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc(Cl)cc2F)[C@@H]1c1cccs1 ZINC000187644051 823103968 /nfs/dbraw/zinc/10/39/68/823103968.db2.gz PQPWAEBZBIGDMX-KBXCAEBGSA-N 1 0 395.931 4.423 20 0 GIADRO COc1ccccc1COC[C@@H](O)C[N@@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000121020983 823104112 /nfs/dbraw/zinc/10/41/12/823104112.db2.gz HUTONGOSWYLJRP-NZQKXSOJSA-N 1 0 394.515 4.281 20 0 GIADRO CSc1ccc([C@H](CNC(=O)N2C[C@@H](C)C[C@H]2c2cccnc2)[NH+](C)C)cc1 ZINC000458902643 823104152 /nfs/dbraw/zinc/10/41/52/823104152.db2.gz SUQPMIPSTWIPRQ-NDXORKPFSA-N 1 0 398.576 4.199 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NC[C@H]2CSc3ccccc32)C1 ZINC000458908222 823104984 /nfs/dbraw/zinc/10/49/84/823104984.db2.gz GNAKSZYVOXZCAY-QRVBRYPASA-N 1 0 387.593 4.172 20 0 GIADRO Clc1ccc(SCC[NH2+][C@H]2CCCc3c2cnn3-c2ncccn2)cc1 ZINC000570901066 823105042 /nfs/dbraw/zinc/10/50/42/823105042.db2.gz HXGZCRGENDHPHP-KRWDZBQOSA-N 1 0 385.924 4.075 20 0 GIADRO Cc1ccc(-c2n[nH]cc2C[NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)o1 ZINC000121026304 823105092 /nfs/dbraw/zinc/10/50/92/823105092.db2.gz PMLMSINQBVGIIF-UHFFFAOYSA-N 1 0 386.446 4.011 20 0 GIADRO C[C@H](C[C@@H](O)c1ccc(F)cc1)[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000121028435 823105588 /nfs/dbraw/zinc/10/55/88/823105588.db2.gz NQYPRYAGJHFINY-UZUQRXQVSA-N 1 0 388.502 4.074 20 0 GIADRO C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000121028093 823105623 /nfs/dbraw/zinc/10/56/23/823105623.db2.gz NQYPRYAGJHFINY-HXOBKFHXSA-N 1 0 388.502 4.074 20 0 GIADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)NC[C@@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC000458916730 823106018 /nfs/dbraw/zinc/10/60/18/823106018.db2.gz AVTOOLRCXKFXGN-NZQKXSOJSA-N 1 0 395.547 4.469 20 0 GIADRO COc1ccc2c(c1)CN(C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1)[C@@H](c1ccccc1)C2 ZINC000570912381 823106521 /nfs/dbraw/zinc/10/65/21/823106521.db2.gz MBIMZSZXKPBVAY-FRGLQRNOSA-N 1 0 393.531 4.022 20 0 GIADRO COc1cc(NC(=O)CC[NH2+]C[C@H]2CCc3ccccc32)c(OC)cc1Cl ZINC000570921021 823108011 /nfs/dbraw/zinc/10/80/11/823108011.db2.gz IFLCVOHPGMQBKB-OAHLLOKOSA-N 1 0 388.895 4.005 20 0 GIADRO O=C(CC[NH2+][C@@H]1CCOC2(CCC2)C1)Nc1ccc(Oc2ccccc2)cc1 ZINC000570921256 823108024 /nfs/dbraw/zinc/10/80/24/823108024.db2.gz SVKAHBNXWDTTCA-LJQANCHMSA-N 1 0 380.488 4.499 20 0 GIADRO CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000570973891 823113872 /nfs/dbraw/zinc/11/38/72/823113872.db2.gz UQYLFFBTNYTAJL-APWZRJJASA-N 1 0 385.943 4.072 20 0 GIADRO CN(C(=O)N[C@H](c1ccc(F)c(Cl)c1)C1CC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000458994732 823114006 /nfs/dbraw/zinc/11/40/06/823114006.db2.gz DXBFBYKLSAVPOA-IEBWDACRSA-N 1 0 379.907 4.197 20 0 GIADRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2[nH]c3ccc(Cl)cc3c2Cl)C[C@@H](C)C1 ZINC000570954510 823111844 /nfs/dbraw/zinc/11/18/44/823111844.db2.gz OSXXKFZQPHRPOY-MQIPJXDCSA-N 1 0 380.319 4.277 20 0 GIADRO C[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccc(F)c2ccccc21 ZINC000570960851 823112296 /nfs/dbraw/zinc/11/22/96/823112296.db2.gz JQDQVZDPKOVNRJ-IEBWSBKVSA-N 1 0 391.490 4.463 20 0 GIADRO CC(C)(C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccc(Cl)c1)OCCO ZINC000570963930 823112593 /nfs/dbraw/zinc/11/25/93/823112593.db2.gz XVHMCPXMXYGFEB-UHFFFAOYSA-N 1 0 399.922 4.070 20 0 GIADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc(C2CC2)nc2onc(CC(C)(C)C)c21 ZINC000121072306 823112843 /nfs/dbraw/zinc/11/28/43/823112843.db2.gz XJHWQOSSUVXSRI-KUHUBIRLSA-N 1 0 398.551 4.101 20 0 GIADRO CCN(C(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1)[C@@H]1CCOC(C)(C)C1 ZINC000458979528 823112946 /nfs/dbraw/zinc/11/29/46/823112946.db2.gz QXUUYJSVJQAMPU-HXUWFJFHSA-N 1 0 387.568 4.030 20 0 GIADRO CCOC(=O)N1CCC([C@H](C)[NH2+][C@@H](C)c2nc3ccc(Cl)cc3n2C)CC1 ZINC000187689476 823113401 /nfs/dbraw/zinc/11/34/01/823113401.db2.gz PNMGVCZBWLISLK-KBPBESRZSA-N 1 0 392.931 4.134 20 0 GIADRO C[NH+](C)CCN(Cc1ccco1)C(=O)N[C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000459013307 823116759 /nfs/dbraw/zinc/11/67/59/823116759.db2.gz ODFSNMPZHZAGJK-LJQANCHMSA-N 1 0 393.890 4.297 20 0 GIADRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1CN1CCOCC1)CCCS2 ZINC000187705308 823116870 /nfs/dbraw/zinc/11/68/70/823116870.db2.gz JANDNKQCKOFKTA-QFIPXVFZSA-N 1 0 398.572 4.244 20 0 GIADRO CCC[C@@H](NC(=O)N1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1)C(C)(C)C ZINC000459014795 823117008 /nfs/dbraw/zinc/11/70/08/823117008.db2.gz RMBMECCAFLWPAS-FUHWJXTLSA-N 1 0 380.602 4.130 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)N[C@H](c2ccc(F)c(Cl)c2)C2CC2)CC1 ZINC000459024496 823118339 /nfs/dbraw/zinc/11/83/39/823118339.db2.gz UUBBSMYJLXQXHO-IBGZPJMESA-N 1 0 381.923 4.446 20 0 GIADRO Cc1ccc2c(CC(=O)Nc3cccc(C[NH+]4CCC(CO)CC4)c3)coc2c1 ZINC000121100415 823118429 /nfs/dbraw/zinc/11/84/29/823118429.db2.gz POQYOWIZEFQNCO-UHFFFAOYSA-N 1 0 392.499 4.127 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)C[N@@H+](CC2CCC2)[C@H](C)c2ccccc2)cc1 ZINC000121100385 823118503 /nfs/dbraw/zinc/11/85/03/823118503.db2.gz GSOXZPLCSVQZAF-QGZVFWFLSA-N 1 0 379.504 4.447 20 0 GIADRO C[C@@H]1CN(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)[C@H]1c1ccccc1 ZINC000176100586 823120253 /nfs/dbraw/zinc/12/02/53/823120253.db2.gz RXUIOYQAUQAWQF-DYESRHJHSA-N 1 0 383.561 4.363 20 0 GIADRO NC(=O)c1cccc(C[NH2+][C@H](c2ccc(Br)cc2Cl)C2CC2)c1 ZINC000187726095 823120448 /nfs/dbraw/zinc/12/04/48/823120448.db2.gz KYLGQIOSSOTBOR-KRWDZBQOSA-N 1 0 393.712 4.442 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)c2sccc2Br)CC[N@@H+]1Cc1ccccc1 ZINC000176101436 823120741 /nfs/dbraw/zinc/12/07/41/823120741.db2.gz REAKNZJKVVFEEU-UKRRQHHQSA-N 1 0 393.350 4.294 20 0 GIADRO C[N@@H+]1CCCN(c2ccc(NC(=O)c3ccc(Oc4ccccc4)o3)cc2)CC1 ZINC000176101507 823120843 /nfs/dbraw/zinc/12/08/43/823120843.db2.gz JJZJLKQNWPFREE-UHFFFAOYSA-N 1 0 391.471 4.466 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)CC[N@@H+]1Cc1ccccc1 ZINC000176101735 823120846 /nfs/dbraw/zinc/12/08/46/823120846.db2.gz SAFDSPUILZJYEN-XLIONFOSSA-N 1 0 394.563 4.298 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+](CC(=O)Nc1cccc(C(=O)N(C)C)c1)CC1CCC1 ZINC000121114312 823120924 /nfs/dbraw/zinc/12/09/24/823120924.db2.gz DZJWGUGNEYJEBI-GOSISDBHSA-N 1 0 393.531 4.190 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@H](C)C[C@H](O)c2cccs2)nnn1-c1ccc(Cl)cc1 ZINC000121113143 823121012 /nfs/dbraw/zinc/12/10/12/823121012.db2.gz VKDGWDNGAAITHV-IGCXYCKISA-N 1 0 390.940 4.453 20 0 GIADRO C[C@@H](c1cc(F)ccc1F)[NH+]1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000056285018 823121069 /nfs/dbraw/zinc/12/10/69/823121069.db2.gz RSOQDZVORORZDH-AWEZNQCLSA-N 1 0 376.422 4.193 20 0 GIADRO Cc1cc(NC(=O)N2CCC[C@@H]2c2ccc(C)c(C)c2)n(C2CC[NH+](C)CC2)n1 ZINC000571023135 823121688 /nfs/dbraw/zinc/12/16/88/823121688.db2.gz RPTPPNRZJGBVOR-OAQYLSRUSA-N 1 0 395.551 4.444 20 0 GIADRO COc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)ccc1OC(C)C ZINC000176103506 823121664 /nfs/dbraw/zinc/12/16/64/823121664.db2.gz GCBFQXVKASIRBO-WIYYLYMNSA-N 1 0 396.531 4.265 20 0 GIADRO Cc1csc(Sc2ccc(NC(=O)N[C@@H]3C[NH2+]CC[C@H]3C)c(C)c2)n1 ZINC000571027820 823122270 /nfs/dbraw/zinc/12/22/70/823122270.db2.gz JOGWWNBCCAOCRU-BDJLRTHQSA-N 1 0 376.551 4.031 20 0 GIADRO C[C@@H](NC(=O)c1c[nH]nc1-c1ccc(Cl)s1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000187737052 823122260 /nfs/dbraw/zinc/12/22/60/823122260.db2.gz GHEHDDZSIHAYQG-OLZOCXBDSA-N 1 0 392.956 4.174 20 0 GIADRO Cc1c([C@H](C)[NH2+]CC2=CCN(C(=O)OC(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC000187742606 823123303 /nfs/dbraw/zinc/12/33/03/823123303.db2.gz HLHXSMLRWBQMIS-HNNXBMFYSA-N 1 0 375.469 4.121 20 0 GIADRO COC(=O)COc1ccc(C[N@H+](C)Cc2ccccc2Oc2cccnc2)cc1 ZINC000187742873 823123557 /nfs/dbraw/zinc/12/35/57/823123557.db2.gz QDCBBIGCOHBKJF-UHFFFAOYSA-N 1 0 392.455 4.058 20 0 GIADRO CCCCOc1c(Cl)cc(C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cc1OCC ZINC000571039269 823124098 /nfs/dbraw/zinc/12/40/98/823124098.db2.gz VTPJUIJOTIQJMU-OAQYLSRUSA-N 1 0 394.943 4.133 20 0 GIADRO Cc1coc(-c2ccc(C)c(NC(=O)N[C@H]3CC[N@H+](CC4CCCC4)C3)c2)n1 ZINC000121134824 823124163 /nfs/dbraw/zinc/12/41/63/823124163.db2.gz LETZGCCDTHMSAN-IBGZPJMESA-N 1 0 382.508 4.344 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)CC[N@@H+]1C ZINC000459080427 823125193 /nfs/dbraw/zinc/12/51/93/823125193.db2.gz DQIKWWHOCWXPGA-WSTLGDPDSA-N 1 0 377.960 4.490 20 0 GIADRO CC[C@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1cccc(Cl)c1 ZINC000121140164 823125757 /nfs/dbraw/zinc/12/57/57/823125757.db2.gz URGMCZFCRMKPRV-KUHUBIRLSA-N 1 0 380.941 4.392 20 0 GIADRO O=C(Nc1ccc(Oc2ccc(Cl)cc2)nc1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000571055428 823125905 /nfs/dbraw/zinc/12/59/05/823125905.db2.gz FJVOFRPPURPKPX-FQEVSTJZSA-N 1 0 386.883 4.135 20 0 GIADRO CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)c1ccc(Cl)cc1Cl ZINC000571055859 823126042 /nfs/dbraw/zinc/12/60/42/823126042.db2.gz VUUJCLOJTNHEEO-IHBAFOEMSA-N 1 0 398.378 4.118 20 0 GIADRO C[C@H]1C[C@H](NC(=O)CCCOCCc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000176120622 823126779 /nfs/dbraw/zinc/12/67/79/823126779.db2.gz OHHHUVNJFCKJST-XUZZJYLKSA-N 1 0 394.559 4.195 20 0 GIADRO CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@H]1CCO[C@H](c2cccs2)C1 ZINC000459092489 823126892 /nfs/dbraw/zinc/12/68/92/823126892.db2.gz YGTFUAUEFCINJQ-OALUTQOASA-N 1 0 393.597 4.266 20 0 GIADRO CC(C)Oc1cccc([C@H](C)[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000121147571 823127182 /nfs/dbraw/zinc/12/71/82/823127182.db2.gz SINWHLSCYQMMRN-IRXDYDNUSA-N 1 0 390.549 4.136 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)c2cccnc2SC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000176122294 823127628 /nfs/dbraw/zinc/12/76/28/823127628.db2.gz XVCIQBNQNUEJHI-ZBFHGGJFSA-N 1 0 391.487 4.179 20 0 GIADRO CC(C)(NC(=O)NC1CC[NH+](C2CCC2)CC1)c1ccccc1Br ZINC000459097880 823127630 /nfs/dbraw/zinc/12/76/30/823127630.db2.gz JCAYRXBAEPJICC-UHFFFAOYSA-N 1 0 394.357 4.000 20 0 GIADRO Cc1cnc(C2CCN(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C)CC2)s1 ZINC000571076570 823128407 /nfs/dbraw/zinc/12/84/07/823128407.db2.gz LVKXVVCDGFJIQH-PXNSSMCTSA-N 1 0 398.576 4.004 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)NC1(Cc2ccc(Cl)cc2)CCC1 ZINC000459115417 823130184 /nfs/dbraw/zinc/13/01/84/823130184.db2.gz UAFONZAXSQDVQP-UHFFFAOYSA-N 1 0 375.944 4.121 20 0 GIADRO CC(C)C(=O)Nc1ccc(C(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)cc1 ZINC000176124959 823128884 /nfs/dbraw/zinc/12/88/84/823128884.db2.gz DOKPGJWQHOSPGJ-UHFFFAOYSA-N 1 0 393.531 4.018 20 0 GIADRO CC1=NN(c2ccc(C(=O)Nc3ccc(CC[NH+]4CCCC4)cc3)cc2)CC1 ZINC000056332833 823129821 /nfs/dbraw/zinc/12/98/21/823129821.db2.gz GGHMSWVOPYWELE-UHFFFAOYSA-N 1 0 376.504 4.163 20 0 GIADRO Cc1cc(C(=O)N(C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)co1 ZINC000187777664 823130905 /nfs/dbraw/zinc/13/09/05/823130905.db2.gz RQARJOZGQFMQAZ-KRWDZBQOSA-N 1 0 380.410 4.115 20 0 GIADRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1nc(Cl)ccc1Cl ZINC000121167518 823130908 /nfs/dbraw/zinc/13/09/08/823130908.db2.gz OXBFFPRFHOVLFY-BBRMVZONSA-N 1 0 376.287 4.145 20 0 GIADRO CCCN(C(=O)N[C@@H](C)c1nccn1CC)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000459127864 823131605 /nfs/dbraw/zinc/13/16/05/823131605.db2.gz XUDGSPAAGZGLHT-FPOVZHCZSA-N 1 0 397.567 4.050 20 0 GIADRO CCCN(C(=O)N[C@@H](C)c1nccn1CC)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000459127865 823131619 /nfs/dbraw/zinc/13/16/19/823131619.db2.gz XUDGSPAAGZGLHT-PZJWPPBQSA-N 1 0 397.567 4.050 20 0 GIADRO CCN(C(=O)NC[C@@H]1CCOC(C)(C)C1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000459129113 823131880 /nfs/dbraw/zinc/13/18/80/823131880.db2.gz DGLNSDPFYHYLCK-SBHAEUEKSA-N 1 0 387.568 4.059 20 0 GIADRO CC[NH+](CC)CCn1ccc2cc(NC(=O)c3cccc4oc(=O)[nH]c43)ccc21 ZINC000571102754 823132704 /nfs/dbraw/zinc/13/27/04/823132704.db2.gz URRAKHPQKFUROA-UHFFFAOYSA-N 1 0 392.459 4.082 20 0 GIADRO C[C@H]1C[C@@H](NC(=O)CCc2nc3ccccc3s2)CC[N@@H+]1Cc1ccccc1 ZINC000176137380 823133097 /nfs/dbraw/zinc/13/30/97/823133097.db2.gz HJYIHFJGGQKGHS-HKUYNNGSSA-N 1 0 393.556 4.398 20 0 GIADRO CN(C(=O)Cc1cc(-c2ccccc2)on1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000121180531 823133452 /nfs/dbraw/zinc/13/34/52/823133452.db2.gz LSOJOHMFKOCUGB-UHFFFAOYSA-N 1 0 389.499 4.007 20 0 GIADRO COc1ccc([C@H](C[NH2+]C[C@@](C)(O)C(F)(F)F)c2c[nH]c3ccccc32)cc1 ZINC000571116287 823134516 /nfs/dbraw/zinc/13/45/16/823134516.db2.gz MMBMMMWDEVPHER-FXAWDEMLSA-N 1 0 392.421 4.211 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+]C1CCN(Cc3ccncc3)CC1)CCCS2 ZINC000187796173 823135003 /nfs/dbraw/zinc/13/50/03/823135003.db2.gz RQKCLFVNNYKTKQ-OAQYLSRUSA-N 1 0 383.561 4.271 20 0 GIADRO COc1cccc(-c2nn(C(C)(C)C)cc2C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1 ZINC000121196340 823136759 /nfs/dbraw/zinc/13/67/59/823136759.db2.gz PLGPYEAINZHTNK-GOSISDBHSA-N 1 0 393.535 4.416 20 0 GIADRO CCO[C@H]1C[C@]([NH3+])(C(=O)Nc2ccc(OCc3ccccc3)cc2C)C1(C)C ZINC000187799623 823136079 /nfs/dbraw/zinc/13/60/79/823136079.db2.gz PJVDMVPPEYQKMN-REWPJTCUSA-N 1 0 382.504 4.045 20 0 GIADRO C[C@@H](CCNc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1)c1ccccc1 ZINC000571150951 823141281 /nfs/dbraw/zinc/14/12/81/823141281.db2.gz ZGCFLIOVDDHMDV-IBGZPJMESA-N 1 0 379.548 4.032 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)NCCc2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000121229396 823142906 /nfs/dbraw/zinc/14/29/06/823142906.db2.gz KPYOPFMIFRPQJQ-XMSQKQJNSA-N 1 0 383.511 4.063 20 0 GIADRO C[NH+](C)CCSCC(=O)Nc1nc(-c2ccc(C(C)(C)C)cc2)cs1 ZINC000571187856 823145864 /nfs/dbraw/zinc/14/58/64/823145864.db2.gz IPQPRGUOLCJSAJ-UHFFFAOYSA-N 1 0 377.579 4.341 20 0 GIADRO CCCN(C(=O)N[C@@H](C)c1cncc(F)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000459207324 823144371 /nfs/dbraw/zinc/14/43/71/823144371.db2.gz XQDYREAFIRTLPV-AVRDEDQJSA-N 1 0 398.526 4.368 20 0 GIADRO CCOc1cccc2cc([C@H](C)NC(=O)N3CCC[C@H]([NH+]4CCCC4)C3)oc21 ZINC000121237364 823144907 /nfs/dbraw/zinc/14/49/07/823144907.db2.gz LAUOSNQXAZZJFI-WMZOPIPTSA-N 1 0 385.508 4.162 20 0 GIADRO C[C@@H](c1ccccc1Cl)N(C)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000056406720 823144979 /nfs/dbraw/zinc/14/49/79/823144979.db2.gz XSPSJPWWEQEEML-INIZCTEOSA-N 1 0 386.927 4.102 20 0 GIADRO O=C(NCc1ccc2c[nH+]cn2c1)N1CCC[C@H]1c1cccc(Br)c1 ZINC000459210787 823144945 /nfs/dbraw/zinc/14/49/45/823144945.db2.gz JIFFCSRGYIZTQB-SFHVURJKSA-N 1 0 399.292 4.144 20 0 GIADRO CC[NH+]1CCC(CNC(=O)N[C@@H](C)c2cc(F)c(Cl)cc2Cl)CC1 ZINC000571181537 823145156 /nfs/dbraw/zinc/14/51/56/823145156.db2.gz JDXROBOFZCHFJC-NSHDSACASA-N 1 0 376.303 4.225 20 0 GIADRO C[C@H](CCCc1cccnc1)NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000459213683 823145365 /nfs/dbraw/zinc/14/53/65/823145365.db2.gz NRRNQOKUBKNRBG-HXUWFJFHSA-N 1 0 386.584 4.090 20 0 GIADRO O=C(N[C@@H](CCc1ccccc1)c1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000056382261 823140553 /nfs/dbraw/zinc/14/05/53/823140553.db2.gz WYBRKTKZVQJOFG-QHCPKHFHSA-N 1 0 377.532 4.287 20 0 GIADRO CCN(C(=O)N[C@H](C)CCCc1cccnc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459225145 823147820 /nfs/dbraw/zinc/14/78/20/823147820.db2.gz XBZWBWCMKKQAFN-NFBKMPQASA-N 1 0 394.563 4.099 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H](C)CCCc1cccnc1 ZINC000459242245 823150244 /nfs/dbraw/zinc/15/02/44/823150244.db2.gz KYDCZOATOCTYHL-IBGZPJMESA-N 1 0 382.552 4.086 20 0 GIADRO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CC[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000571228715 823152249 /nfs/dbraw/zinc/15/22/49/823152249.db2.gz PCNZOZYUTPCDNX-FJIDUMEYSA-N 1 0 380.960 4.260 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC1CCC(C(F)F)CC1 ZINC000459253926 823152343 /nfs/dbraw/zinc/15/23/43/823152343.db2.gz MYCBPCZNNXAGQA-XEVCZEQESA-N 1 0 393.522 4.364 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@H](C)c1cnc(OC)c(Cl)c1 ZINC000571231289 823152440 /nfs/dbraw/zinc/15/24/40/823152440.db2.gz HNCUNKJRWSVDEO-LLVKDONJSA-N 1 0 398.290 4.085 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@@H](C)c1cnc(OC)c(Cl)c1 ZINC000571231294 823152465 /nfs/dbraw/zinc/15/24/65/823152465.db2.gz HNCUNKJRWSVDEO-NSHDSACASA-N 1 0 398.290 4.085 20 0 GIADRO COc1c(F)cc(NC(=O)N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)cc1F ZINC000571233807 823152791 /nfs/dbraw/zinc/15/27/91/823152791.db2.gz DWPKCNVHZIWUSX-SCLBCKFNSA-N 1 0 377.435 4.095 20 0 GIADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)[C@@H](C)OC2CCCCCC2)c1 ZINC000571234468 823153032 /nfs/dbraw/zinc/15/30/32/823153032.db2.gz RTERVJYAMKIVJD-QGZVFWFLSA-N 1 0 389.540 4.033 20 0 GIADRO C[C@H]([NH2+]C[C@@H]1COc2ccccc21)c1ccccc1I ZINC000571239536 823153707 /nfs/dbraw/zinc/15/37/07/823153707.db2.gz GQZSWAFEKBXLNP-QWHCGFSZSA-N 1 0 379.241 4.118 20 0 GIADRO Cc1ccc([C@@H](CN[C@H](c2ncc[nH]2)c2ccc(F)cc2)[NH+]2CCCC2)cc1 ZINC000187900051 823154894 /nfs/dbraw/zinc/15/48/94/823154894.db2.gz ZHGYYHDUMKJTJD-YADHBBJMSA-N 1 0 378.495 4.373 20 0 GIADRO CC(C)N(Cc1cccc(Br)c1)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000459273645 823154969 /nfs/dbraw/zinc/15/49/69/823154969.db2.gz YJGDMQPZXOPRRN-MRXNPFEDSA-N 1 0 396.373 4.101 20 0 GIADRO Cc1ccc(CNC(=O)C2CC[NH+](CC3CCC(F)(F)CC3)CC2)cc1F ZINC000459296400 823157721 /nfs/dbraw/zinc/15/77/21/823157721.db2.gz IEATZEWBQREWJI-UHFFFAOYSA-N 1 0 382.470 4.288 20 0 GIADRO O=C(c1cccc(C[NH+]2CCCC2)c1)N1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000176228608 823158141 /nfs/dbraw/zinc/15/81/41/823158141.db2.gz XVCZGJPYSUFZDT-PMACEKPBSA-N 1 0 384.545 4.072 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)Nc1cccc(Br)c1 ZINC000459300984 823158235 /nfs/dbraw/zinc/15/82/35/823158235.db2.gz QYLQICRLGKMOFY-UHFFFAOYSA-N 1 0 382.327 4.106 20 0 GIADRO CCCN(C(=O)NC1CCC(OC)CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000459299944 823158351 /nfs/dbraw/zinc/15/83/51/823158351.db2.gz YQGLAZAPPRYJBA-ATKRNPRHSA-N 1 0 387.568 4.030 20 0 GIADRO O[C@@H](C[NH2+][C@@H](c1ccccc1)c1cccc2ccccc21)COC1CCOCC1 ZINC000571277721 823159634 /nfs/dbraw/zinc/15/96/34/823159634.db2.gz RVPFIPKZQHKMEU-OFVILXPXSA-N 1 0 391.511 4.075 20 0 GIADRO CCC[C@H](NC(=O)N1CC[C@H](C[N@H+](C)Cc2scnc2C)C1)C1CCCC1 ZINC000459314765 823160406 /nfs/dbraw/zinc/16/04/06/823160406.db2.gz KWASQBSHFYPCOK-MJGOQNOKSA-N 1 0 392.613 4.274 20 0 GIADRO C[C@@H]1CN(c2ccccc2C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)CCO1 ZINC000459321240 823161003 /nfs/dbraw/zinc/16/10/03/823161003.db2.gz ZMQMDTIBPFCSHQ-GOSISDBHSA-N 1 0 390.531 4.168 20 0 GIADRO FC(F)(F)c1ccnn1-c1ccc(NC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000459342965 823166107 /nfs/dbraw/zinc/16/61/07/823166107.db2.gz FINTWABDKSPFEA-UHFFFAOYSA-N 1 0 387.409 4.367 20 0 GIADRO Cc1cnc(CC[N@@H+](C)Cc2cn(C3CCCC3)nc2-c2ccccn2)s1 ZINC000459337336 823164266 /nfs/dbraw/zinc/16/42/66/823164266.db2.gz JMPGEGUWILEYMQ-UHFFFAOYSA-N 1 0 381.549 4.500 20 0 GIADRO CC(=O)NCCC[NH2+][C@@H](C)c1sc(-c2ccc(Br)cc2)nc1C ZINC000121334276 823165327 /nfs/dbraw/zinc/16/53/27/823165327.db2.gz VUUMSVQYXWXFGX-NSHDSACASA-N 1 0 396.354 4.058 20 0 GIADRO CC[C@@H](NC(=O)c1ccccc1)c1noc(/C=C\c2ccc(-n3ccnc3)cc2)n1 ZINC000571364280 823171556 /nfs/dbraw/zinc/17/15/56/823171556.db2.gz CIFVDPGVZLJBJU-KTZABMDBSA-N 1 0 399.454 4.307 20 0 GIADRO CC(C)c1nc(CN(C)C2CC[NH+](CCC(F)(F)F)CC2)c2ccccn21 ZINC000571333282 823166840 /nfs/dbraw/zinc/16/68/40/823166840.db2.gz LFRJDOUEMSDETM-UHFFFAOYSA-N 1 0 382.474 4.306 20 0 GIADRO Cc1ccc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2Cc2cccs2)cc1F ZINC000571347134 823168513 /nfs/dbraw/zinc/16/85/13/823168513.db2.gz GZLHJWFOSLXZQU-UHFFFAOYSA-N 1 0 399.539 4.033 20 0 GIADRO CCOc1cc(C[N@H+](C)[C@@H](C)c2cccc(O)c2)cc(Br)c1O ZINC000459351077 823168593 /nfs/dbraw/zinc/16/85/93/823168593.db2.gz OKVBFDYWUHQZST-LBPRGKRZSA-N 1 0 380.282 4.452 20 0 GIADRO C[NH+](C)CCC1CCN(C(=O)Nc2ccc(Br)cc2Cl)CC1 ZINC000056558054 823169490 /nfs/dbraw/zinc/16/94/90/823169490.db2.gz WPJKKAQFKJJCDM-UHFFFAOYSA-N 1 0 388.737 4.298 20 0 GIADRO Cc1cc(C[N@@H+](Cc2ccccc2)C[C@@]2(O)CCO[C@@H]2C)cc2cccnc12 ZINC000571364667 823171902 /nfs/dbraw/zinc/17/19/02/823171902.db2.gz CRCVTAPEQZJGAQ-DVECYGJZSA-N 1 0 376.500 4.085 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN([C@@H](C)C(=O)Nc2ccccc2Cc2ccccc2)C1 ZINC000176276244 823170092 /nfs/dbraw/zinc/17/00/92/823170092.db2.gz BWHIFLPGSDESMG-RBBKRZOGSA-N 1 0 393.575 4.268 20 0 GIADRO CNC(=O)CC1CC[NH+](C/C=C\c2ccc(OCc3ccccc3)cc2)CC1 ZINC000459356113 823170216 /nfs/dbraw/zinc/17/02/16/823170216.db2.gz ZSXZSVWHWIJVHT-YVMONPNESA-N 1 0 378.516 4.127 20 0 GIADRO C[NH+](C)CCCOc1cccc(NCc2cccc(O)c2Br)c1 ZINC000459355825 823170226 /nfs/dbraw/zinc/17/02/26/823170226.db2.gz PWZOZSSKGLHYGL-UHFFFAOYSA-N 1 0 379.298 4.097 20 0 GIADRO Cc1cnc(CC[NH2+][C@H]2CCCc3c4cc(Br)ccc4[nH]c32)nc1 ZINC000571358509 823170348 /nfs/dbraw/zinc/17/03/48/823170348.db2.gz APJDCIHYXOQQQU-KRWDZBQOSA-N 1 0 385.309 4.239 20 0 GIADRO COc1ccc(C[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)cc1OC ZINC000459357238 823170461 /nfs/dbraw/zinc/17/04/61/823170461.db2.gz BLHSWUKBFPKPPR-UHFFFAOYSA-N 1 0 392.503 4.367 20 0 GIADRO CCC(=O)Nc1ccc(C)c(NC(=O)N(CC[NH+](C)C)Cc2ccsc2)c1 ZINC000459360140 823171267 /nfs/dbraw/zinc/17/12/67/823171267.db2.gz QWYMTOOILSWOLX-UHFFFAOYSA-N 1 0 388.537 4.001 20 0 GIADRO C[N@@H+]1CCC[C@H](CNCc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H]1c1cccs1 ZINC000188009013 823171338 /nfs/dbraw/zinc/17/13/38/823171338.db2.gz MTPUYKLYEIVDJC-RDTXWAMCSA-N 1 0 379.913 4.482 20 0 GIADRO CC(C)(C)[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CC1CCS(=O)(=O)CC1 ZINC000571366820 823172272 /nfs/dbraw/zinc/17/22/72/823172272.db2.gz QJTXKTDLGXPXBG-QGZVFWFLSA-N 1 0 391.499 4.077 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1C[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000459365297 823173406 /nfs/dbraw/zinc/17/34/06/823173406.db2.gz ABRBOSNYDPJLHO-UHFFFAOYSA-N 1 0 380.561 4.336 20 0 GIADRO O=C(Nc1ccccc1O)C1CC[NH+](Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000121379011 823173844 /nfs/dbraw/zinc/17/38/44/823173844.db2.gz OKPLCYRCTODLOO-UHFFFAOYSA-N 1 0 394.393 4.142 20 0 GIADRO COc1ccccc1Oc1ccc(NC(=O)NC2CC[NH+](C3CC3)CC2)cc1F ZINC000056595173 823177255 /nfs/dbraw/zinc/17/72/55/823177255.db2.gz RAMPJEDAQLRPFC-UHFFFAOYSA-N 1 0 399.466 4.375 20 0 GIADRO CO[C@H](C)c1nc(CN2CCC[N@H+](Cc3ccc(C4CC4)cc3)CC2)cs1 ZINC000459366892 823174245 /nfs/dbraw/zinc/17/42/45/823174245.db2.gz YCVICTDLARULTK-QGZVFWFLSA-N 1 0 385.577 4.436 20 0 GIADRO C[C@H]([NH2+]C(C)(C)CNC(=O)c1ccc(C(=O)c2cc[nH]c2)cc1)c1ccccc1 ZINC000176294576 823174930 /nfs/dbraw/zinc/17/49/30/823174930.db2.gz MESBLFFIWXQGLU-KRWDZBQOSA-N 1 0 389.499 4.105 20 0 GIADRO CC1CC[NH+](CCCNCc2cn(C3CCCC3)nc2-c2ccccn2)CC1 ZINC000459371784 823175171 /nfs/dbraw/zinc/17/51/71/823175171.db2.gz HDFJJACEMFOKEL-UHFFFAOYSA-N 1 0 381.568 4.272 20 0 GIADRO O=C(CC[NH2+]Cc1ccccc1OCC(F)(F)F)Nc1ccc(Cl)cc1 ZINC000571382427 823175220 /nfs/dbraw/zinc/17/52/20/823175220.db2.gz AGIZNYLOPURMBH-UHFFFAOYSA-N 1 0 386.801 4.400 20 0 GIADRO CSc1ccc([C@H](CNC(=O)CC2CC(OC(C)(C)C)C2)[NH+](C)C)cc1 ZINC000571438962 823182973 /nfs/dbraw/zinc/18/29/73/823182973.db2.gz DMGSXPWHWMVIIW-KVWWFHCMSA-N 1 0 378.582 4.111 20 0 GIADRO C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000571440671 823182998 /nfs/dbraw/zinc/18/29/98/823182998.db2.gz ZNKSMMUONYGLFY-ZOHQOTHLSA-N 1 0 375.456 4.054 20 0 GIADRO CC(=O)N1CCC(C[NH2+]C/C=C\c2ccc(OCc3ccccc3)cc2)CC1 ZINC000459398628 823183489 /nfs/dbraw/zinc/18/34/89/823183489.db2.gz ISWVHYKNNUMKHE-YVMONPNESA-N 1 0 378.516 4.127 20 0 GIADRO COc1ccc(NC(=O)c2ccccc2CC2CC[NH2+]CC2)c2cccnc12 ZINC000571406857 823178498 /nfs/dbraw/zinc/17/84/98/823178498.db2.gz SLUXMRMSZSYLBC-UHFFFAOYSA-N 1 0 375.472 4.038 20 0 GIADRO C[C@@H]1CN(c2ccccc2C[NH2+]Cc2cc(Br)ccc2F)CCO1 ZINC000459383568 823178905 /nfs/dbraw/zinc/17/89/05/823178905.db2.gz GFDSSYBBMWKFDN-CQSZACIVSA-N 1 0 393.300 4.103 20 0 GIADRO c1ccc(COc2ccc(C[N@@H+]3CCC[C@@H](c4nnc5ccccn54)C3)cn2)cc1 ZINC000571414744 823179754 /nfs/dbraw/zinc/17/97/54/823179754.db2.gz YDRJDDYBZKEJSP-OAQYLSRUSA-N 1 0 399.498 4.083 20 0 GIADRO CCOC(=O)c1noc(C[N@H+](C)[C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)n1 ZINC000459397773 823183184 /nfs/dbraw/zinc/18/31/84/823183184.db2.gz JTOAGAWGKRGOIR-LSDHHAIUSA-N 1 0 397.397 4.033 20 0 GIADRO Cc1ccccc1C1(C[NH2+]Cc2ccccc2N2CCO[C@@H](C)C2)CCOCC1 ZINC000459386185 823179921 /nfs/dbraw/zinc/17/99/21/823179921.db2.gz AUKXJOMFQWTYLI-NRFANRHFSA-N 1 0 394.559 4.058 20 0 GIADRO CC[C@@H](C)Oc1ccc(NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000056610663 823180364 /nfs/dbraw/zinc/18/03/64/823180364.db2.gz DTMBSZRLHKJGKV-QGZVFWFLSA-N 1 0 382.508 4.045 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCC[C@@H]2c2ccccn2)C1 ZINC000056611590 823180725 /nfs/dbraw/zinc/18/07/25/823180725.db2.gz PSMQQYFGXJFCTL-AUSIDOKSSA-N 1 0 392.547 4.360 20 0 GIADRO CC(C)Oc1cccc(CC(=O)NC[C@H](C[NH+](C)C)c2ccc(Cl)cc2)c1 ZINC000571426042 823181027 /nfs/dbraw/zinc/18/10/27/823181027.db2.gz SLKWCJXWNGUIHL-LJQANCHMSA-N 1 0 388.939 4.131 20 0 GIADRO CCOc1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(OC)c(OC)c1C ZINC000571425760 823181067 /nfs/dbraw/zinc/18/10/67/823181067.db2.gz FPXKFHRPKZEYOE-HZPDHXFCSA-N 1 0 386.492 4.089 20 0 GIADRO C[C@@H]1CN(c2ccccc2C[NH2+]Cc2ccnc(OC3CCCCC3)c2)CCO1 ZINC000459392601 823181730 /nfs/dbraw/zinc/18/17/30/823181730.db2.gz DGQLETXPJARNSX-LJQANCHMSA-N 1 0 395.547 4.308 20 0 GIADRO Cc1ccc(NC(=O)C(C)C)cc1NC(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000056617384 823181950 /nfs/dbraw/zinc/18/19/50/823181950.db2.gz ABXJAQKOTJRGJZ-UHFFFAOYSA-N 1 0 388.556 4.175 20 0 GIADRO CCSc1ccc([C@H](C)NC(=O)NC2CC[NH+](CCOC(C)C)CC2)cc1 ZINC000176323766 823182093 /nfs/dbraw/zinc/18/20/93/823182093.db2.gz SBWMZODVUHITMN-KRWDZBQOSA-N 1 0 393.597 4.048 20 0 GIADRO CCOc1c(Br)cc(C[NH2+]Cc2cccc(COC)c2)cc1OC ZINC000121425569 823182196 /nfs/dbraw/zinc/18/21/96/823182196.db2.gz PELYINDQRIHLDU-UHFFFAOYSA-N 1 0 394.309 4.293 20 0 GIADRO C[NH+]1CCC(N(Cc2ccco2)Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000571447545 823183781 /nfs/dbraw/zinc/18/37/81/823183781.db2.gz BJNCNTIQWDFOJN-UHFFFAOYSA-N 1 0 382.426 4.317 20 0 GIADRO C[C@@H]([NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1)c1cccc(CO)c1 ZINC000121434044 823183778 /nfs/dbraw/zinc/18/37/78/823183778.db2.gz VAYCVQKRSWRPHR-WBVHZDCISA-N 1 0 389.337 4.119 20 0 GIADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccc(N(C)C)cc1C(F)(F)F ZINC000056626740 823184549 /nfs/dbraw/zinc/18/45/49/823184549.db2.gz WJRYKNPRAJJFRW-ZIAGYGMSSA-N 1 0 386.462 4.013 20 0 GIADRO CN(C)C(=O)c1ccc(C[NH2+][C@H](Cc2ccccc2C(F)(F)F)C(C)(C)C)[nH]1 ZINC000571452627 823185023 /nfs/dbraw/zinc/18/50/23/823185023.db2.gz SEWWPLVWTXXHBU-GOSISDBHSA-N 1 0 395.469 4.482 20 0 GIADRO C[NH+](C)CCc1ccccc1NC(=O)c1nc2ccccc2cc1Br ZINC000571477636 823188678 /nfs/dbraw/zinc/18/86/78/823188678.db2.gz BYYAQFAKYKRECA-UHFFFAOYSA-N 1 0 398.304 4.354 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCCc2ccc(S(N)(=O)=O)cc21)c1cccc2ccccc21 ZINC000571453968 823185283 /nfs/dbraw/zinc/18/52/83/823185283.db2.gz MVDHKFWOZSDYDD-OYHNWAKOSA-N 1 0 380.513 4.215 20 0 GIADRO COc1ccc(OC)c(NC(=O)[C@H](C)[N@@H+]2C[C@@H](c3ccc(F)cc3)C[C@H]2C)c1 ZINC000121447647 823186176 /nfs/dbraw/zinc/18/61/76/823186176.db2.gz JPCDLECMMZATJL-VYDXJSESSA-N 1 0 386.467 4.048 20 0 GIADRO Cc1cc(Cl)c2c(c1)[C@H]([NH2+][C@H]1CCC[C@@H](N3CCCC3=O)C1)CCCO2 ZINC000571463899 823186370 /nfs/dbraw/zinc/18/63/70/823186370.db2.gz LZKGTXXVCGDCTC-FRQCXROJSA-N 1 0 376.928 4.385 20 0 GIADRO CCOc1cc(C[NH2+][C@H](C)Cc2ccc(OC)c(OC)c2)cc(Cl)c1O ZINC000459410162 823186741 /nfs/dbraw/zinc/18/67/41/823186741.db2.gz OZRFKYLUKZBCKX-CYBMUJFWSA-N 1 0 379.884 4.182 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)N([C@@H](C)c2ccco2)C2CC2)CC1 ZINC000121452460 823187223 /nfs/dbraw/zinc/18/72/23/823187223.db2.gz XFLWBLPCZCPKJD-SFHVURJKSA-N 1 0 381.520 4.488 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1C[NH2+]C1CCN(c2ccc(C)cn2)CC1 ZINC000459420394 823188990 /nfs/dbraw/zinc/18/89/90/823188990.db2.gz BHIUWRDNUCNUSG-UHFFFAOYSA-N 1 0 381.549 4.044 20 0 GIADRO CCO[C@@H]1C[C@@H]([NH2+]CCCc2nc(C(C)C)no2)[C@H]1Sc1ccccc1 ZINC000459415134 823188037 /nfs/dbraw/zinc/18/80/37/823188037.db2.gz ZQSLKECMPRZSPY-ZHALLVOQSA-N 1 0 375.538 4.054 20 0 GIADRO CCC(CC)c1cc(CNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)on1 ZINC000176344745 823188191 /nfs/dbraw/zinc/18/81/91/823188191.db2.gz VYXQQJCGLBRCPG-UHFFFAOYSA-N 1 0 398.551 4.384 20 0 GIADRO Cc1ccccc1-n1cc(CNCc2ccccc2C[NH+]2CCC(C)CC2)nn1 ZINC000571477236 823188352 /nfs/dbraw/zinc/18/83/52/823188352.db2.gz DCMROLZGIRXNHU-UHFFFAOYSA-N 1 0 389.547 4.097 20 0 GIADRO CCOc1cc(C[NH2+][C@H](COC)c2ccccc2)cc(Br)c1O ZINC000459422543 823189238 /nfs/dbraw/zinc/18/92/38/823189238.db2.gz YLDQPWMFFANTPF-MRXNPFEDSA-N 1 0 380.282 4.031 20 0 GIADRO COc1ccc([C@H](OC)[C@H](C)[NH2+]Cc2c(C)nc3scc(C4CC4)n23)cc1 ZINC000459454840 823195439 /nfs/dbraw/zinc/19/54/39/823195439.db2.gz CGXCNDQUQMMRBC-VBKZILBWSA-N 1 0 385.533 4.456 20 0 GIADRO CCOc1cc(C[NH2+][C@H](c2cnn(C)c2)C(C)(C)C)cc(Br)c1O ZINC000459425015 823189818 /nfs/dbraw/zinc/18/98/18/823189818.db2.gz LCTYJJYVTJYNOW-QGZVFWFLSA-N 1 0 396.329 4.164 20 0 GIADRO C[C@H]([NH2+]Cc1cc(=O)[nH]c(C2CC2)n1)c1cccc(OCc2ccccc2)c1 ZINC000459427066 823190245 /nfs/dbraw/zinc/19/02/45/823190245.db2.gz ODNPSEHPNIBEPC-INIZCTEOSA-N 1 0 375.472 4.489 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCOC3(CCSCC3)C2)[C@H]1Sc1ccccc1 ZINC000459428645 823190571 /nfs/dbraw/zinc/19/05/71/823190571.db2.gz BPICNFPOXQORGM-IJXRJRJASA-N 1 0 393.618 4.359 20 0 GIADRO OCC[C@H](C[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1)c1ccccc1 ZINC000459429317 823190574 /nfs/dbraw/zinc/19/05/74/823190574.db2.gz KFRTZQDJVAULMQ-HXUWFJFHSA-N 1 0 390.531 4.316 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)NCC(F)(F)c2ccccc2)CC1 ZINC000571489635 823190877 /nfs/dbraw/zinc/19/08/77/823190877.db2.gz FBWCZHCEXBNDGL-UHFFFAOYSA-N 1 0 387.474 4.051 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)N[C@H]1CCc2sc(Cl)cc21 ZINC000571490334 823191302 /nfs/dbraw/zinc/19/13/02/823191302.db2.gz WLKMFZUXIWQNAN-KRWDZBQOSA-N 1 0 389.952 4.484 20 0 GIADRO CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cn(C(C)C)nc3C2)[C@H]1Sc1ccccc1 ZINC000459435732 823191671 /nfs/dbraw/zinc/19/16/71/823191671.db2.gz PEDBCXUABHKIFK-BRKWEVRTSA-N 1 0 385.577 4.249 20 0 GIADRO O=C(NCc1csc(-c2ccccc2)n1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176368586 823192643 /nfs/dbraw/zinc/19/26/43/823192643.db2.gz LJOAHJBHRZEJPY-UHFFFAOYSA-N 1 0 398.576 4.406 20 0 GIADRO CCOc1cc(C[NH2+]CC2(CCOC)CCCC2)cc(Br)c1O ZINC000459444078 823193291 /nfs/dbraw/zinc/19/32/91/823193291.db2.gz QXOYYHUPUXSXGT-UHFFFAOYSA-N 1 0 386.330 4.240 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)Nc2ccc(C)c(NC(C)=O)c2C)c1 ZINC000056690186 823193289 /nfs/dbraw/zinc/19/32/89/823193289.db2.gz TYOSDTBLRVGIES-UHFFFAOYSA-N 1 0 396.535 4.425 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1C[NH2+]Cc1ccc(C)cc1O[C@@H]1CCOC1 ZINC000459445248 823193623 /nfs/dbraw/zinc/19/36/23/823193623.db2.gz SDAFCZBYGRANTF-GOSISDBHSA-N 1 0 397.544 4.348 20 0 GIADRO CCOc1ccc(NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1F ZINC000056702133 823195839 /nfs/dbraw/zinc/19/58/39/823195839.db2.gz JDJRCYAMLNQYMF-UHFFFAOYSA-N 1 0 389.446 4.150 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(C)c(NC(C)=O)c1C)c1ccccc1 ZINC000056691468 823194170 /nfs/dbraw/zinc/19/41/70/823194170.db2.gz YTSNWVYIGYTMFV-OAQYLSRUSA-N 1 0 396.535 4.466 20 0 GIADRO Cc1nc(CN2C[C@@H](F)C[C@H]2C[N@@H+](C)CC2CCC(F)(F)CC2)cs1 ZINC000459448182 823194255 /nfs/dbraw/zinc/19/42/55/823194255.db2.gz RTGZQHOZIAOPFQ-RDJZCZTQSA-N 1 0 375.504 4.121 20 0 GIADRO CCOc1cc(CNC[C@@H]2CCC[N@H+](CC(C)C)C2)cc(Br)c1O ZINC000459457728 823196021 /nfs/dbraw/zinc/19/60/21/823196021.db2.gz YGOQLHHMYXXDPL-HNNXBMFYSA-N 1 0 399.373 4.011 20 0 GIADRO CCOc1ccc([C@H]([NH2+]Cc2cc(=O)[nH]c(C3CC3)n2)C(C)C)cc1OCC ZINC000459457499 823196137 /nfs/dbraw/zinc/19/61/37/823196137.db2.gz CWVIEZPGNAPOCG-OAQYLSRUSA-N 1 0 385.508 4.344 20 0 GIADRO Oc1cccc(C[NH2+]CC2(c3ccc(F)cc3)CCOCC2)c1Br ZINC000459458408 823196241 /nfs/dbraw/zinc/19/62/41/823196241.db2.gz DCMISRHTUXINMM-UHFFFAOYSA-N 1 0 394.284 4.132 20 0 GIADRO C[C@@H]1CN(c2ccccc2C[NH2+]Cc2ccc(Oc3ccccc3)nc2)CCO1 ZINC000459461822 823197176 /nfs/dbraw/zinc/19/71/76/823197176.db2.gz IWDDFZCMFKFXJZ-LJQANCHMSA-N 1 0 389.499 4.389 20 0 GIADRO CC(C)C[C@H](C[NH3+])Cc1nc(-c2cccc(Cn3cnc4ccccc43)c2)no1 ZINC000571537266 823197496 /nfs/dbraw/zinc/19/74/96/823197496.db2.gz FOIZBWJMMOJGIM-SFHVURJKSA-N 1 0 389.503 4.298 20 0 GIADRO CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]Cc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1 ZINC000571540263 823197814 /nfs/dbraw/zinc/19/78/14/823197814.db2.gz IMFJSELQOWXSRY-GAOFFHQZSA-N 1 0 383.536 4.216 20 0 GIADRO CCN(C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C(C)C)C1)CC(F)(F)F ZINC000176403936 823201199 /nfs/dbraw/zinc/20/11/99/823201199.db2.gz SPTGVBLZLKCWFA-IRXDYDNUSA-N 1 0 399.501 4.343 20 0 GIADRO CCN(C[C@H]1CC[N@@H+]([C@@H](C)c2nnc(-c3ccccc3)o2)C1)CC(F)(F)F ZINC000176404249 823201206 /nfs/dbraw/zinc/20/12/06/823201206.db2.gz DPQKMSIPTRMWGX-LSDHHAIUSA-N 1 0 382.430 4.004 20 0 GIADRO COCc1cc(CNc2ccc(C[N@H+](C[C@@H]3CCCCO3)C(C)C)cc2)no1 ZINC000459481447 823201351 /nfs/dbraw/zinc/20/13/51/823201351.db2.gz KYNFEYVEILSQTI-NRFANRHFSA-N 1 0 387.524 4.213 20 0 GIADRO COc1ccc(-c2ccccc2C)cc1C[NH2+][C@H]1CCCO[C@@H]1c1nccn1C ZINC000459482446 823201775 /nfs/dbraw/zinc/20/17/75/823201775.db2.gz BXWATXIDIIMRKB-GMAHTHKFSA-N 1 0 391.515 4.414 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2cccc(OCC(F)(F)F)c2)C1)CC(F)(F)F ZINC000176408522 823201975 /nfs/dbraw/zinc/20/19/75/823201975.db2.gz FVZUWBQAOWOEDP-HNNXBMFYSA-N 1 0 398.391 4.334 20 0 GIADRO CCOc1cc(C[NH2+]C[C@@H](C)c2ncc(C)s2)cc(Br)c1O ZINC000459486419 823202545 /nfs/dbraw/zinc/20/25/45/823202545.db2.gz PTKSUUJCBGNYHS-SNVBAGLBSA-N 1 0 385.327 4.212 20 0 GIADRO CCOc1cc(C[NH2+][C@@H]2CCOc3c(F)cccc32)cc(Br)c1O ZINC000459506077 823206502 /nfs/dbraw/zinc/20/65/02/823206502.db2.gz JKBCORDSQXONHK-OAHLLOKOSA-N 1 0 396.256 4.306 20 0 GIADRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]CCc1csc(N2CCCC2)n1 ZINC000188209065 823203496 /nfs/dbraw/zinc/20/34/96/823203496.db2.gz HBQDXORUZFYCNX-AWEZNQCLSA-N 1 0 394.382 4.269 20 0 GIADRO C[C@@H]([NH2+][C@H](C)C(c1ccccc1)c1ccccc1)c1ccc(S(N)(=O)=O)cc1 ZINC000121545345 823203519 /nfs/dbraw/zinc/20/35/19/823203519.db2.gz MTIVTWWJMJYHHC-QZTJIDSGSA-N 1 0 394.540 4.205 20 0 GIADRO CC(C)c1noc(-c2ccc(NC(=O)N(CC[NH+](C)C)C3CCCC3)cc2)n1 ZINC000176416687 823203995 /nfs/dbraw/zinc/20/39/95/823203995.db2.gz YZZXQZXZSOMZNC-UHFFFAOYSA-N 1 0 385.512 4.198 20 0 GIADRO CC(C)Oc1cc(Br)ccc1C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000461266178 823608809 /nfs/dbraw/zinc/60/88/09/823608809.db2.gz RQOVPWOHGOGOPM-MRXNPFEDSA-N 1 0 397.357 4.183 20 0 GIADRO COc1ccnc(C[NH2+][C@H]2CCN(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000571583970 823204068 /nfs/dbraw/zinc/20/40/68/823204068.db2.gz IIAXIQOWIBUITF-PMACEKPBSA-N 1 0 377.891 4.196 20 0 GIADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)CCc1ncc(-c2ccc(C)cc2)o1)c1ccco1 ZINC000571593577 823204849 /nfs/dbraw/zinc/20/48/49/823204849.db2.gz JDGGIDKNGNTRAW-HKUYNNGSSA-N 1 0 395.503 4.421 20 0 GIADRO CCOc1cc(C[NH2+]CC2(C)CCC(OC)CC2)cc(Br)c1O ZINC000459497958 823204903 /nfs/dbraw/zinc/20/49/03/823204903.db2.gz AARCQJBVPFNLMO-UHFFFAOYSA-N 1 0 386.330 4.238 20 0 GIADRO Cc1ccc(Br)cc1C[NH2+]Cc1ccccc1N1CCO[C@H](C)C1 ZINC000459499399 823205120 /nfs/dbraw/zinc/20/51/20/823205120.db2.gz AHYGFDCHCYKISL-MRXNPFEDSA-N 1 0 389.337 4.272 20 0 GIADRO Fc1cc(Br)cc([C@@H]([NH2+]Cc2cnc(C3CC3)nc2)C2CC2)c1 ZINC000459503446 823206039 /nfs/dbraw/zinc/20/60/39/823206039.db2.gz PXZPMWDBDLMWJV-KRWDZBQOSA-N 1 0 376.273 4.497 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3scnc3C(C)(C)C)c(C)c2)CC1 ZINC000176436141 823207287 /nfs/dbraw/zinc/20/72/87/823207287.db2.gz NVXGOAXQTMXHSZ-UHFFFAOYSA-N 1 0 386.565 4.143 20 0 GIADRO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC3(CC2)OCCc2ccccc23)c(C)c1 ZINC000459510200 823207589 /nfs/dbraw/zinc/20/75/89/823207589.db2.gz CJEXXCJLSOYNRK-LJQANCHMSA-N 1 0 378.516 4.194 20 0 GIADRO COc1cc(C[N@@H+]2CC[C@@H](n3cc(C)cn3)C2)ccc1OCc1cccs1 ZINC000571608254 823207856 /nfs/dbraw/zinc/20/78/56/823207856.db2.gz XNAWSMVFVQEHOK-GOSISDBHSA-N 1 0 383.517 4.288 20 0 GIADRO COc1ccc2c(c1)CN([C@@H]1CCCN(C(C)C)C1=O)[C@H](c1ccccc1)C2 ZINC000571632487 823212244 /nfs/dbraw/zinc/21/22/44/823212244.db2.gz ZNFWCCAZSISOHM-PKTZIBPZSA-N 1 0 378.516 4.194 20 0 GIADRO CS(=O)(=O)c1cc(C[NH2+]CCc2ccc(Cl)cc2)cc(C(F)(F)F)c1 ZINC000459527946 823212254 /nfs/dbraw/zinc/21/22/54/823212254.db2.gz PVPGVWQZDUOVCY-UHFFFAOYSA-N 1 0 391.842 4.095 20 0 GIADRO COCCC[C@H](Cc1ccccc1)[NH2+]Cc1cccc(O)c1Br ZINC000459523063 823210700 /nfs/dbraw/zinc/21/07/00/823210700.db2.gz ITDBBGPNBSVDAF-QGZVFWFLSA-N 1 0 378.310 4.282 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)NC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000121586126 823211383 /nfs/dbraw/zinc/21/13/83/823211383.db2.gz DJOUWIYUDGTUQR-OALUTQOASA-N 1 0 397.567 4.053 20 0 GIADRO Cc1cnc([C@@H](C)NC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)s1 ZINC000176463416 823212929 /nfs/dbraw/zinc/21/29/29/823212929.db2.gz WQTHPEJJHRIUSR-QGZVFWFLSA-N 1 0 386.565 4.388 20 0 GIADRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)Nc1ccc(-c2csnn2)cc1 ZINC000056786697 823213080 /nfs/dbraw/zinc/21/30/80/823213080.db2.gz WJORBWBXYFCVFQ-HXUWFJFHSA-N 1 0 393.516 4.164 20 0 GIADRO COC[C@@H]([NH2+]CCc1csc(-c2ccc(Cl)cc2)n1)C1CCOCC1 ZINC000188280443 823213562 /nfs/dbraw/zinc/21/35/62/823213562.db2.gz CRDRJKSCHVWTQL-GOSISDBHSA-N 1 0 380.941 4.037 20 0 GIADRO OCC1([C@H]([NH2+]Cc2ccc(Cl)cc2-n2cncn2)c2ccccc2)CCCC1 ZINC000459549546 823217915 /nfs/dbraw/zinc/21/79/15/823217915.db2.gz WKPGPZNIAHYMTC-OAQYLSRUSA-N 1 0 396.922 4.304 20 0 GIADRO COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC(=O)N(Cc3ccccc3)C1)CCCS2 ZINC000188281174 823213844 /nfs/dbraw/zinc/21/38/44/823213844.db2.gz PJAYGCSBWYARHL-NQIIRXRSSA-N 1 0 396.556 4.261 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(C(C)(C)c3ccccc3)n2C2CC2)C1 ZINC000571648823 823214421 /nfs/dbraw/zinc/21/44/21/823214421.db2.gz JGHTZYAMFVHPJA-SFHVURJKSA-N 1 0 381.568 4.107 20 0 GIADRO COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000571652657 823214924 /nfs/dbraw/zinc/21/49/24/823214924.db2.gz UBUWFXGLQKEKQZ-CYBMUJFWSA-N 1 0 389.883 4.043 20 0 GIADRO O=C(Nc1ccc(-c2nncs2)cc1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000459537966 823214931 /nfs/dbraw/zinc/21/49/31/823214931.db2.gz CYLNYZSLQKZMAM-LJQANCHMSA-N 1 0 393.516 4.164 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)N[C@H](C)c2ccc(Br)cc2)CC1 ZINC000056795024 823215206 /nfs/dbraw/zinc/21/52/06/823215206.db2.gz GGBNRTTUXVGKBW-OAHLLOKOSA-N 1 0 396.373 4.272 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)Nc2ccc(-c3nncs3)cc2)cc1 ZINC000459539386 823215287 /nfs/dbraw/zinc/21/52/87/823215287.db2.gz GPHKNZXLCKNUHY-UHFFFAOYSA-N 1 0 395.532 4.369 20 0 GIADRO CC(C)[C@@H]([NH2+]CCc1cc(C(F)(F)F)ccn1)c1ccc2[nH]c(=O)oc2c1 ZINC000571660310 823215497 /nfs/dbraw/zinc/21/54/97/823215497.db2.gz KNFWJIWNEZUPME-QGZVFWFLSA-N 1 0 379.382 4.477 20 0 GIADRO Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000571670847 823216931 /nfs/dbraw/zinc/21/69/31/823216931.db2.gz UEXIZNCFMGAMSM-GFCCVEGCSA-N 1 0 382.291 4.076 20 0 GIADRO Cc1ccccc1[C@H](OC[C@H](O)C[N@H+](C)CCc1ccccn1)c1ccccc1 ZINC000121625357 823218349 /nfs/dbraw/zinc/21/83/49/823218349.db2.gz CUEUOMSUVNGRIC-ILBGXUMGSA-N 1 0 390.527 4.031 20 0 GIADRO CCOc1cc(C[N@@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)cc(Cl)c1O ZINC000459555783 823219453 /nfs/dbraw/zinc/21/94/53/823219453.db2.gz IPOCXVXSJRCOEW-JOCHJYFZSA-N 1 0 389.923 4.262 20 0 GIADRO Cc1nccn1CCC[N@@H+](C)Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459555523 823219460 /nfs/dbraw/zinc/21/94/60/823219460.db2.gz GEYFMAWAUOIAFV-UHFFFAOYSA-N 1 0 378.524 4.087 20 0 GIADRO CCOc1cc(C[NH2+]C[C@H]2CCN(c3ccccc3F)C2)cc(Cl)c1O ZINC000459555353 823219579 /nfs/dbraw/zinc/21/95/79/823219579.db2.gz HKNARVVQFLILJA-CQSZACIVSA-N 1 0 378.875 4.200 20 0 GIADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)c1cc(C)sc1Br)c1ccco1 ZINC000571712951 823222941 /nfs/dbraw/zinc/22/29/41/823222941.db2.gz FDMIJGGZAFNZGQ-GWCFXTLKSA-N 1 0 385.327 4.271 20 0 GIADRO Oc1cccc(C[NH2+][C@H]2c3ccccc3CC23CCOCC3)c1Br ZINC000459557178 823219851 /nfs/dbraw/zinc/21/98/51/823219851.db2.gz CTMNSIJFPCZXDD-IBGZPJMESA-N 1 0 388.305 4.339 20 0 GIADRO Cc1[nH]c2ccccc2c1C1CCN(C(=O)NC2CC[NH+](CC(C)C)CC2)CC1 ZINC000056830943 823220020 /nfs/dbraw/zinc/22/00/20/823220020.db2.gz CJOFSIPLKGATGT-UHFFFAOYSA-N 1 0 396.579 4.486 20 0 GIADRO O=C(NC1CC[NH+](C2CC2)CC1)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000056828940 823220063 /nfs/dbraw/zinc/22/00/63/823220063.db2.gz GXGYVLYSTMZXAB-UHFFFAOYSA-N 1 0 382.335 4.294 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+][C@H](C)c2ccc(OCc3nccn3C)cc2)c1 ZINC000121636761 823220228 /nfs/dbraw/zinc/22/02/28/823220228.db2.gz BPXURVJQPVOAQG-SJORKVTESA-N 1 0 392.503 4.369 20 0 GIADRO CCOc1cc(C[NH2+][C@H]2c3ccccc3O[C@@H]2C)cc(Br)c1O ZINC000459562201 823220992 /nfs/dbraw/zinc/22/09/92/823220992.db2.gz ATWSAEXGQIZTKS-PIGZYNQJSA-N 1 0 378.266 4.165 20 0 GIADRO CN(Cc1cccc(F)c1)C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000571699263 823221129 /nfs/dbraw/zinc/22/11/29/823221129.db2.gz PRAXONOCOPECGL-NRFANRHFSA-N 1 0 383.511 4.269 20 0 GIADRO Cc1ccc(NC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)c(C)n1 ZINC000121645352 823221647 /nfs/dbraw/zinc/22/16/47/823221647.db2.gz WLNIURLIPOHLFQ-IBGZPJMESA-N 1 0 377.410 4.092 20 0 GIADRO C[C@H]([NH2+]Cc1cccnc1-n1cccn1)c1ccc(F)c(Br)c1 ZINC000177903035 823544097 /nfs/dbraw/zinc/54/40/97/823544097.db2.gz GZYNTYJDAXJUPV-LBPRGKRZSA-N 1 0 375.245 4.020 20 0 GIADRO O=C(CC1CC(c2ccccc2)C1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000409452466 823221966 /nfs/dbraw/zinc/22/19/66/823221966.db2.gz MRDSCKPAVKFASE-UHFFFAOYSA-N 1 0 376.544 4.394 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+]CCc2nnc(C(C)C)s2)[C@H]1Sc1ccccc1 ZINC000459567068 823222050 /nfs/dbraw/zinc/22/20/50/823222050.db2.gz ZWEGKRKAZFPLGG-LZLYRXPVSA-N 1 0 377.579 4.132 20 0 GIADRO Cc1ccc(NC(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000176501298 823222498 /nfs/dbraw/zinc/22/24/98/823222498.db2.gz RZIUDFQWXXLFNZ-UHFFFAOYSA-N 1 0 387.549 4.249 20 0 GIADRO COc1cc(C[N@H+](C)C2CCN(Cc3ccccc3)CC2)ccc1OC(F)F ZINC000121629747 823219054 /nfs/dbraw/zinc/21/90/54/823219054.db2.gz MJFCUASVDDIWSP-UHFFFAOYSA-N 1 0 390.474 4.393 20 0 GIADRO COc1ccc(-c2ccccc2C)cc1C[NH2+][C@@H]1CCC[C@H]2CN(C(C)=O)C[C@H]21 ZINC000459575160 823223905 /nfs/dbraw/zinc/22/39/05/823223905.db2.gz ZLXDJSYJQIFYNU-TUACAJSNSA-N 1 0 392.543 4.407 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1C[NH2+][C@@H]1C[C@@H](OC(C)(C)C)[C@H]1n1cccn1 ZINC000459577474 823224036 /nfs/dbraw/zinc/22/40/36/823224036.db2.gz WHHTVYNKDQQJLA-LZQZEXGQSA-N 1 0 399.564 4.065 20 0 GIADRO O[C@@H]1C[C@H]([C@H]2CCCOC2)[N@H+](C/C=C\c2ccc(OCc3ccccc3)cc2)C1 ZINC000459576870 823224333 /nfs/dbraw/zinc/22/43/33/823224333.db2.gz LIIZQBZFLVDICH-FOFXDUOHSA-N 1 0 393.527 4.141 20 0 GIADRO C[C@H](NC(=O)NC[C@H](c1ccsc1)[NH+](C)C)c1ccccc1C(F)(F)F ZINC000056853715 823224500 /nfs/dbraw/zinc/22/45/00/823224500.db2.gz PIZXMTXTYFBMGH-BLLLJJGKSA-N 1 0 385.455 4.430 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)CCCNC(=O)[C@@H]3CC=CCC3)cc2)C1 ZINC000409461175 823224841 /nfs/dbraw/zinc/22/48/41/823224841.db2.gz NPODEJPOJWLLGC-TZIWHRDSSA-N 1 0 397.563 4.110 20 0 GIADRO C[NH+](C)CCN(Cc1csc(COc2ccccc2)n1)Cc1cccs1 ZINC000571722069 823224952 /nfs/dbraw/zinc/22/49/52/823224952.db2.gz XLXPYNZIAXRKJZ-UHFFFAOYSA-N 1 0 387.574 4.347 20 0 GIADRO CC(C)Oc1cccc([C@H](C)NC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000056867072 823225580 /nfs/dbraw/zinc/22/55/80/823225580.db2.gz BGCPDMVZHCVYDO-SFHVURJKSA-N 1 0 375.557 4.297 20 0 GIADRO CCc1ccc(Cl)c(CC)c1NC(=O)CCC[N@H+](C)C1CCN(OC)CC1 ZINC000459586082 823225927 /nfs/dbraw/zinc/22/59/27/823225927.db2.gz XFSBANNATHOQQV-UHFFFAOYSA-N 1 0 395.975 4.141 20 0 GIADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Nc1ccsc1Cl ZINC000188367286 823227231 /nfs/dbraw/zinc/22/72/31/823227231.db2.gz BUIQQTQMGDKURW-UHFFFAOYSA-N 1 0 394.928 4.196 20 0 GIADRO CCCn1cc(CN2CCC[N@H+](Cc3cccc(-c4ccncc4)c3)CC2)cn1 ZINC000121674071 823227719 /nfs/dbraw/zinc/22/77/19/823227719.db2.gz GLVYWGOSZPSVRY-UHFFFAOYSA-N 1 0 389.547 4.063 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)N2CC3(CCCC3)c3c2cccc3F)cc1 ZINC000409470114 823227721 /nfs/dbraw/zinc/22/77/21/823227721.db2.gz OJBMJCCNOAZDDI-UHFFFAOYSA-N 1 0 381.495 4.429 20 0 GIADRO c1coc([C@H](C[NH2+]Cc2ccccc2OCc2ccncc2)N2CCCC2)c1 ZINC000409473816 823228773 /nfs/dbraw/zinc/22/87/73/823228773.db2.gz GBCMBQZJLYUOKH-NRFANRHFSA-N 1 0 377.488 4.180 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]C2CCN(c3ccc(N(C)C)cc3)CC2)c1 ZINC000121678464 823228896 /nfs/dbraw/zinc/22/88/96/823228896.db2.gz FTBCZRWITALUPT-QGZVFWFLSA-N 1 0 380.536 4.031 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)CCCc1cccnc1)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000459630496 823232723 /nfs/dbraw/zinc/23/27/23/823232723.db2.gz AMTJHVUXJIWXGA-DLBZAZTESA-N 1 0 396.560 4.039 20 0 GIADRO C[C@H](C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)c1ccc(C(F)(F)F)cc1 ZINC000409477187 823229726 /nfs/dbraw/zinc/22/97/26/823229726.db2.gz ILEHASBTIFOLNF-SCLBCKFNSA-N 1 0 382.401 4.367 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)N(Cc1ccco1)Cc1ccccc1)c1ccc(F)cc1 ZINC000056937826 823232969 /nfs/dbraw/zinc/23/29/69/823232969.db2.gz PZNWBCLWVKWYDK-JOCHJYFZSA-N 1 0 395.478 4.433 20 0 GIADRO C[C@H](CCCc1cccnc1)[NH2+]CC(=O)N1CC[C@@H](C)Sc2ccccc21 ZINC000459631090 823233022 /nfs/dbraw/zinc/23/30/22/823233022.db2.gz BDOPBGNBALYPDK-QZTJIDSGSA-N 1 0 383.561 4.300 20 0 GIADRO C[C@@H](NC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)c1cccc(OC(F)F)c1 ZINC000056936936 823233057 /nfs/dbraw/zinc/23/30/57/823233057.db2.gz KQQDYOQMJYCWQM-FZKQIMNGSA-N 1 0 395.425 4.090 20 0 GIADRO CC[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(Oc3ccccc3)c(F)c2)CC1 ZINC000056932104 823232344 /nfs/dbraw/zinc/23/23/44/823232344.db2.gz OIBQKAMMAOJPDP-INIZCTEOSA-N 1 0 385.483 4.463 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)N1CCC[C@@H]1c1cccc(F)c1 ZINC000056889894 823228589 /nfs/dbraw/zinc/22/85/89/823228589.db2.gz DTNOJUNHMDFMHN-JOCHJYFZSA-N 1 0 399.485 4.476 20 0 GIADRO CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)[NH2+][C@H](C)CCCc1cccnc1 ZINC000459645713 823237314 /nfs/dbraw/zinc/23/73/14/823237314.db2.gz RFDUPCHVKBVNMP-HZPDHXFCSA-N 1 0 393.487 4.358 20 0 GIADRO C[C@H](CCCc1cccnc1)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000459634938 823234552 /nfs/dbraw/zinc/23/45/52/823234552.db2.gz FXCMBMORYXUTCL-RHSMWYFYSA-N 1 0 383.319 4.129 20 0 GIADRO C[C@@H](NC(=O)C[NH2+][C@@H](C)CCCc1cccnc1)c1ccc2ccccc2c1 ZINC000459638088 823235327 /nfs/dbraw/zinc/23/53/27/823235327.db2.gz JABZMCZGRQHPIB-RBUKOAKNSA-N 1 0 375.516 4.413 20 0 GIADRO COc1ccc(NC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)cc1SC ZINC000459646529 823237633 /nfs/dbraw/zinc/23/76/33/823237633.db2.gz ANKKJROPHYOZMM-INIZCTEOSA-N 1 0 393.940 4.495 20 0 GIADRO C[C@@H]1CCCN1C(=O)CC[N@@H+]1CCc2nc(-c3ccccc3Cl)sc2C1 ZINC000571797654 823235537 /nfs/dbraw/zinc/23/55/37/823235537.db2.gz QFCFTNNSFLITLJ-CQSZACIVSA-N 1 0 389.952 4.223 20 0 GIADRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl)c1nc2c(s1)CCC2 ZINC000459640731 823235858 /nfs/dbraw/zinc/23/58/58/823235858.db2.gz XQXIVQOSQDEYDW-PWSUYJOCSA-N 1 0 387.332 4.029 20 0 GIADRO CCCCC[C@@](C)(CC)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000188412962 823236450 /nfs/dbraw/zinc/23/64/50/823236450.db2.gz SGCHEQVFSHWTDU-HSZRJFAPSA-N 1 0 387.568 4.319 20 0 GIADRO COc1cc(C)c(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)cc1OC ZINC000459644247 823236624 /nfs/dbraw/zinc/23/66/24/823236624.db2.gz DIBNSPOHDDKVDZ-SFHVURJKSA-N 1 0 387.442 4.193 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C2(Cc3ccccc3F)CC2)CC1 ZINC000188418368 823237925 /nfs/dbraw/zinc/23/79/25/823237925.db2.gz FTKWPTBMUSBEPY-GOSISDBHSA-N 1 0 380.507 4.490 20 0 GIADRO CCOC(=O)C1(COC)CC[NH+](C/C(C)=C\c2cccc(C(F)(F)F)c2)CC1 ZINC000571811056 823238069 /nfs/dbraw/zinc/23/80/69/823238069.db2.gz PFRTUHIOGXZTOE-VBKFSLOCSA-N 1 0 399.453 4.400 20 0 GIADRO COc1ccc([C@H](Cc2ccncc2)[NH2+][C@H]2CCC[C@H](C(=O)NC(C)C)C2)cc1 ZINC000571811970 823238126 /nfs/dbraw/zinc/23/81/26/823238126.db2.gz VYXDSZSSZPIUET-FUDKSRODSA-N 1 0 395.547 4.047 20 0 GIADRO COc1ccc(C[N@@H+]2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)cc1 ZINC000121747767 823242380 /nfs/dbraw/zinc/24/23/80/823242380.db2.gz NOAIHYAACARRLK-HNNXBMFYSA-N 1 0 390.409 4.136 20 0 GIADRO COc1ccc(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1SC ZINC000459658345 823242422 /nfs/dbraw/zinc/24/24/22/823242422.db2.gz KHEXHFAQYDMNMP-MRXNPFEDSA-N 1 0 389.521 4.359 20 0 GIADRO CC[NH+]1CCC(CNC(=O)c2sc(-c3ccc(Cl)cc3)nc2C)CC1 ZINC000057000574 823238922 /nfs/dbraw/zinc/23/89/22/823238922.db2.gz SDTZCEIVHRQOKT-UHFFFAOYSA-N 1 0 377.941 4.234 20 0 GIADRO CC[NH+]1CCC(CNC(=O)CSCc2ccc(Cl)cc2Cl)CC1 ZINC000057001932 823239243 /nfs/dbraw/zinc/23/92/43/823239243.db2.gz MDVSGSAWLBILKA-UHFFFAOYSA-N 1 0 375.365 4.075 20 0 GIADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H](C)c1cncc(F)c1 ZINC000459656287 823241299 /nfs/dbraw/zinc/24/12/99/823241299.db2.gz VQFRLRRZULGMHP-NEPJUHHUSA-N 1 0 380.261 4.051 20 0 GIADRO Cc1ccc(CN(Cc2ccco2)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)s1 ZINC000176582087 823241365 /nfs/dbraw/zinc/24/13/65/823241365.db2.gz XGKZVMBOLHITSA-SJORKVTESA-N 1 0 375.538 4.234 20 0 GIADRO O=C(CCc1nc2cc(Cl)ccc2s1)NCCCCC[NH+]1CCCC1 ZINC000571831526 823241533 /nfs/dbraw/zinc/24/15/33/823241533.db2.gz NZXQBOKXBLBRQN-UHFFFAOYSA-N 1 0 379.957 4.265 20 0 GIADRO C[C@H]1C[C@@H](NC(=O)Cc2c[nH]c3cc(F)ccc23)CC[N@@H+]1Cc1ccccc1 ZINC000176582820 823241756 /nfs/dbraw/zinc/24/17/56/823241756.db2.gz FVFSTJRZVIAVCE-JXFKEZNVSA-N 1 0 379.479 4.019 20 0 GIADRO FC(F)(F)[C@H]1CC[N@H+](Cc2cccc3c2OCCCO3)CC12CCOCC2 ZINC000459656945 823241794 /nfs/dbraw/zinc/24/17/94/823241794.db2.gz WLVVYGUYRRTKHG-KRWDZBQOSA-N 1 0 385.426 4.029 20 0 GIADRO Cc1ccc(C)c(-n2cnc3cc(C(=O)N(C)CC4CC[NH+](C)CC4)ccc32)c1 ZINC000409528629 823242350 /nfs/dbraw/zinc/24/23/50/823242350.db2.gz LSCIXMBUBJOQOF-UHFFFAOYSA-N 1 0 390.531 4.056 20 0 GIADRO O=C(Nc1ccc2ccccc2c1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000121751061 823243006 /nfs/dbraw/zinc/24/30/06/823243006.db2.gz UKFJHIABHJQNOK-UHFFFAOYSA-N 1 0 381.520 4.196 20 0 GIADRO COc1ccc(NC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)cc1SC ZINC000459659877 823243365 /nfs/dbraw/zinc/24/33/65/823243365.db2.gz NBFFUXFHKQNPPX-GOSISDBHSA-N 1 0 385.533 4.376 20 0 GIADRO C[NH+]1CCN(Cc2cccc(NC(=O)c3cc(Cl)sc3Cl)c2)CC1 ZINC000057054710 823243903 /nfs/dbraw/zinc/24/39/03/823243903.db2.gz XLKUINHGQKQNIV-UHFFFAOYSA-N 1 0 384.332 4.055 20 0 GIADRO FC(F)(F)[C@H]1CCN(Cc2ccc(Br)cn2)CC12CCOCC2 ZINC000459661635 823243923 /nfs/dbraw/zinc/24/39/23/823243923.db2.gz MULBVRQTIXUJLO-AWEZNQCLSA-N 1 0 393.247 4.025 20 0 GIADRO Cc1nc(COc2ccc(C[NH2+][C@@H]3C[C@H]3c3c(F)cccc3Cl)cc2)no1 ZINC000459663936 823244888 /nfs/dbraw/zinc/24/48/88/823244888.db2.gz HASXIUYMSGFNND-CRAIPNDOSA-N 1 0 387.842 4.395 20 0 GIADRO Cc1nc(CN(Cc2ccccc2Br)C2CC[NH+](C)CC2)cs1 ZINC000571846796 823244879 /nfs/dbraw/zinc/24/48/79/823244879.db2.gz IHPRDTQSDPYSBQ-UHFFFAOYSA-N 1 0 394.382 4.310 20 0 GIADRO CC(=O)Nc1ccc(O)c(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)c1 ZINC000121760075 823244934 /nfs/dbraw/zinc/24/49/34/823244934.db2.gz QYKPOAUYJJJMRE-UHFFFAOYSA-N 1 0 395.503 4.367 20 0 GIADRO COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H](C)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000459665763 823245267 /nfs/dbraw/zinc/24/52/67/823245267.db2.gz KVJRYDVICNYYHG-CVEARBPZSA-N 1 0 397.544 4.311 20 0 GIADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N(Cc2cccs2)Cc2cccs2)C1 ZINC000176602482 823246100 /nfs/dbraw/zinc/24/61/00/823246100.db2.gz ICGZASREYPYFDN-CVEARBPZSA-N 1 0 377.579 4.394 20 0 GIADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)N(Cc2cccs2)Cc2cccs2)C1 ZINC000176602452 823246172 /nfs/dbraw/zinc/24/61/72/823246172.db2.gz ICGZASREYPYFDN-HOTGVXAUSA-N 1 0 377.579 4.394 20 0 GIADRO C[C@H](NC(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)c1cncc(F)c1 ZINC000571857267 823246715 /nfs/dbraw/zinc/24/67/15/823246715.db2.gz GXGHUFWFYLRATQ-KSZLIROESA-N 1 0 398.526 4.259 20 0 GIADRO C[C@H](NC(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)c1cncc(F)c1 ZINC000571857268 823246729 /nfs/dbraw/zinc/24/67/29/823246729.db2.gz GXGHUFWFYLRATQ-KURKYZTESA-N 1 0 398.526 4.259 20 0 GIADRO COc1ccccc1C[N@@H+]1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000121751058 823242938 /nfs/dbraw/zinc/24/29/38/823242938.db2.gz VOWXBYZDWQRGHK-HNNXBMFYSA-N 1 0 390.409 4.136 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cnc(-c4ncccn4)s3)cc2)C1 ZINC000121782218 823249816 /nfs/dbraw/zinc/24/98/16/823249816.db2.gz CKDUNZPUHIAPRF-HNNXBMFYSA-N 1 0 393.516 4.084 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cnc(-c4ncccn4)s3)cc2)C1 ZINC000121782054 823249909 /nfs/dbraw/zinc/24/99/09/823249909.db2.gz CKDUNZPUHIAPRF-OAHLLOKOSA-N 1 0 393.516 4.084 20 0 GIADRO CC(C)OCC[NH+]1CCC(NC(=O)N2CCC[C@H]2c2cccc(Cl)c2)CC1 ZINC000176619315 823250513 /nfs/dbraw/zinc/25/05/13/823250513.db2.gz GUDVHEICOACBQH-FQEVSTJZSA-N 1 0 393.959 4.076 20 0 GIADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N2CCC(c3nc4ccccc4s3)CC2)C1 ZINC000176629166 823252675 /nfs/dbraw/zinc/25/26/75/823252675.db2.gz XYENJTLMMBRKKX-SJORKVTESA-N 1 0 386.565 4.058 20 0 GIADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)N2CCC(c3nc4ccccc4s3)CC2)C1 ZINC000176629131 823252682 /nfs/dbraw/zinc/25/26/82/823252682.db2.gz XYENJTLMMBRKKX-IRXDYDNUSA-N 1 0 386.565 4.058 20 0 GIADRO COc1cc(NC(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc(OC)c1Cl ZINC000459692685 823251760 /nfs/dbraw/zinc/25/17/60/823251760.db2.gz FHFSBODPQXWXSF-DJJJIMSYSA-N 1 0 391.899 4.170 20 0 GIADRO COc1cc(NC(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc(OC)c1Cl ZINC000459692691 823251810 /nfs/dbraw/zinc/25/18/10/823251810.db2.gz FHFSBODPQXWXSF-YJYMSZOUSA-N 1 0 391.899 4.170 20 0 GIADRO COc1cc(NC(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)cc(OC)c1Cl ZINC000459692682 823251924 /nfs/dbraw/zinc/25/19/24/823251924.db2.gz FHFSBODPQXWXSF-BFUOFWGJSA-N 1 0 391.899 4.170 20 0 GIADRO O=C(N[C@@H](CC(F)(F)F)c1ccccc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000057130852 823252811 /nfs/dbraw/zinc/25/28/11/823252811.db2.gz MUYXRLLMCUSHKQ-SFHVURJKSA-N 1 0 383.458 4.340 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)N[C@H](CC(F)(F)F)c1ccccc1)c1cccc(F)c1 ZINC000057131356 823253301 /nfs/dbraw/zinc/25/33/01/823253301.db2.gz VMCYJTDXMXOIBL-QZTJIDSGSA-N 1 0 397.416 4.421 20 0 GIADRO COc1ccc([C@@H](CNC(=O)C(C)(C)c2ccc(F)cc2)[NH+]2CCCCC2)cc1 ZINC000409580707 823254047 /nfs/dbraw/zinc/25/40/47/823254047.db2.gz OABYHSNDVGDCTB-JOCHJYFZSA-N 1 0 398.522 4.455 20 0 GIADRO O=C(Cc1ccc(-c2ccccc2)cc1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000057166470 823257740 /nfs/dbraw/zinc/25/77/40/823257740.db2.gz LUIITGOQEFXZOI-UHFFFAOYSA-N 1 0 385.511 4.072 20 0 GIADRO CC(=O)OCCCc1cccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000188529156 823257751 /nfs/dbraw/zinc/25/77/51/823257751.db2.gz ITXBGJXEVZXCBZ-UHFFFAOYSA-N 1 0 391.515 4.130 20 0 GIADRO C[C@H](c1ccc(F)cc1)N1CC[C@@H]([NH+]2CCC(c3ccc(O)cc3)CC2)C1=O ZINC000571942654 823257845 /nfs/dbraw/zinc/25/78/45/823257845.db2.gz JGRWFIFZRUAKNB-OPAMFIHVSA-N 1 0 382.479 4.073 20 0 GIADRO CC1(C)Oc2ccsc2[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@@H]1O ZINC000459716544 823255654 /nfs/dbraw/zinc/25/56/54/823255654.db2.gz WIPOQHJGLLTSHH-WWCUCUDHSA-N 1 0 398.572 4.106 20 0 GIADRO O=C(Nc1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1)c1ccco1 ZINC000057153271 823255722 /nfs/dbraw/zinc/25/57/22/823255722.db2.gz SEFGQBHFATTYKG-HXUWFJFHSA-N 1 0 389.455 4.135 20 0 GIADRO COc1cccc([C@@H]2CCCN2C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000057153379 823255819 /nfs/dbraw/zinc/25/58/19/823255819.db2.gz XINVQYRHXDSZOK-GGAORHGYSA-N 1 0 378.516 4.271 20 0 GIADRO CC(=O)Nc1cccc(C(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c1C ZINC000188523482 823256214 /nfs/dbraw/zinc/25/62/14/823256214.db2.gz GSAGSHJDGJPVMP-KRWDZBQOSA-N 1 0 385.552 4.070 20 0 GIADRO COc1ccc([C@H](NC(=O)C2CC[NH+](Cc3ccccc3)CC2)C2CC2)cc1 ZINC000057155216 823256400 /nfs/dbraw/zinc/25/64/00/823256400.db2.gz YQAFVSNDOHRJMU-HSZRJFAPSA-N 1 0 378.516 4.175 20 0 GIADRO CC(C)NC(=O)Nc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000057154734 823256432 /nfs/dbraw/zinc/25/64/32/823256432.db2.gz CQKVEFUWIGQSAS-LJQANCHMSA-N 1 0 394.519 4.067 20 0 GIADRO COc1ccc([C@@H](CO)C[NH2+]Cc2cc(Br)c(Cl)s2)cc1 ZINC000459722810 823256642 /nfs/dbraw/zinc/25/66/42/823256642.db2.gz ABEWXYCGPWRGLB-LLVKDONJSA-N 1 0 390.730 4.038 20 0 GIADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 ZINC000057156654 823256673 /nfs/dbraw/zinc/25/66/73/823256673.db2.gz MITNSCJEIMKCFL-QGZVFWFLSA-N 1 0 385.508 4.081 20 0 GIADRO COc1cc(C[NH2+][C@@H]2C[C@H]2c2ccccc2F)cc(OC)c1OCC(F)F ZINC000459727179 823257101 /nfs/dbraw/zinc/25/71/01/823257101.db2.gz FWDWPSFFYLSACK-GOEBONIOSA-N 1 0 381.394 4.133 20 0 GIADRO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@@H](C)CCc2ccc(F)cc2F)cc1 ZINC000571936398 823257313 /nfs/dbraw/zinc/25/73/13/823257313.db2.gz YVKLHNOOZFTRRU-HOTGVXAUSA-N 1 0 381.488 4.046 20 0 GIADRO CC1(C)C(=O)N[C@@H]1C1CC[NH+](CC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000571938850 823257468 /nfs/dbraw/zinc/25/74/68/823257468.db2.gz IQRWAUHBDYCART-JOCHJYFZSA-N 1 0 398.497 4.333 20 0 GIADRO O=C(c1ccc(C[N@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)cc1)N1CCCC1 ZINC000121851705 823262995 /nfs/dbraw/zinc/26/29/95/823262995.db2.gz KJFPSWUHKDKAHO-VXKWHMMOSA-N 1 0 396.531 4.384 20 0 GIADRO Brc1cncc([C@@H]2OCC[C@H]2[NH2+]C2CCC3(CCOCC3)CC2)c1 ZINC000459773918 823263052 /nfs/dbraw/zinc/26/30/52/823263052.db2.gz VLTBRDWVDOPKKP-MSOLQXFVSA-N 1 0 395.341 4.003 20 0 GIADRO CCOCCOCc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000057175227 823259178 /nfs/dbraw/zinc/25/91/78/823259178.db2.gz SNUQTMDGBWLZOV-JOCHJYFZSA-N 1 0 396.531 4.090 20 0 GIADRO CC[NH+](CC)CC[C@@H](CO)Nc1ncnc2scc(-c3ccc(F)cc3)c21 ZINC000571952048 823259266 /nfs/dbraw/zinc/25/92/66/823259266.db2.gz DHWRZIXNIVMAAG-INIZCTEOSA-N 1 0 388.512 4.002 20 0 GIADRO CC(C)(C)NC(=O)c1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000057175643 823259659 /nfs/dbraw/zinc/25/96/59/823259659.db2.gz SFZHQXXIEDOOLU-FQEVSTJZSA-N 1 0 393.531 4.066 20 0 GIADRO C[C@@H](CCc1cccc(F)c1)[NH2+][C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000459774097 823263226 /nfs/dbraw/zinc/26/32/26/823263226.db2.gz WAFBSHOSUMAHAC-BKTGTZMESA-N 1 0 393.300 4.424 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Nc1cccc(-c2noc(C3CC3)n2)c1)c1ccccc1 ZINC000176662647 823260519 /nfs/dbraw/zinc/26/05/19/823260519.db2.gz FEJSILXCQDKPOV-IBGZPJMESA-N 1 0 391.475 4.038 20 0 GIADRO C[C@H]1OCC[C@@]1(O)C[N@H+](Cc1csc(Br)c1)Cc1ccccc1 ZINC000571961355 823260906 /nfs/dbraw/zinc/26/09/06/823260906.db2.gz TWJRZDHSCZZOSO-RDTXWAMCSA-N 1 0 396.350 4.053 20 0 GIADRO C[N@H+](Cc1cc(Br)ccc1OCc1ccccn1)[C@@H]1CCCOC1 ZINC000571961507 823261042 /nfs/dbraw/zinc/26/10/42/823261042.db2.gz ZCLBIRPBLYLDDT-GOSISDBHSA-N 1 0 391.309 4.034 20 0 GIADRO CSCC1CCC([NH2+][C@@H]2CCO[C@H]2c2cncc(Br)c2)CC1 ZINC000459757693 823261168 /nfs/dbraw/zinc/26/11/68/823261168.db2.gz HPMWKLCSYINWCS-ULNHQPMUSA-N 1 0 385.371 4.186 20 0 GIADRO Fc1ccc(/C=C/C[NH2+][C@@H]2CCO[C@H]2c2cncc(Br)c2)c(F)c1 ZINC000459758552 823261341 /nfs/dbraw/zinc/26/13/41/823261341.db2.gz IKNLCQKHKPQBAB-MNSDHWDNSA-N 1 0 395.247 4.255 20 0 GIADRO Cn1cc(CC[NH2+]C2CCN(CCC(F)(F)F)CC2)c2ccc(Cl)cc21 ZINC000188559216 823261805 /nfs/dbraw/zinc/26/18/05/823261805.db2.gz IWVAVNRMTGLYAP-UHFFFAOYSA-N 1 0 387.877 4.381 20 0 GIADRO C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000459764825 823261902 /nfs/dbraw/zinc/26/19/02/823261902.db2.gz NTICAJIKFZHRJZ-PJSAGSTRSA-N 1 0 379.273 4.034 20 0 GIADRO C[C@H](Cc1ccccc1F)[NH2+][C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000459766157 823262131 /nfs/dbraw/zinc/26/21/31/823262131.db2.gz PAPBGONAJXAJIR-PJSAGSTRSA-N 1 0 379.273 4.034 20 0 GIADRO CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1cscc1C(F)(F)F ZINC000571966941 823262198 /nfs/dbraw/zinc/26/21/98/823262198.db2.gz YHAHITQKEURBAK-CYBMUJFWSA-N 1 0 377.453 4.109 20 0 GIADRO Fc1cccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NCc2ncc(C3CC3)o2)c1 ZINC000459770066 823262441 /nfs/dbraw/zinc/26/24/41/823262441.db2.gz RQXCOVRABWBFGU-FCHUYYIVSA-N 1 0 391.490 4.449 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@@H+](C)[C@H](C)Cc1cccc(F)c1 ZINC000459774952 823263480 /nfs/dbraw/zinc/26/34/80/823263480.db2.gz WSPHRBYWIYOPMR-MRXNPFEDSA-N 1 0 394.494 4.130 20 0 GIADRO Cn1nccc1[C@H]1CCC[C@H]([NH2+]Cc2cccc(NC(=O)C3CCCC3)c2)C1 ZINC000571969765 823262856 /nfs/dbraw/zinc/26/28/56/823262856.db2.gz PRSCBFWNLPINOI-PMACEKPBSA-N 1 0 380.536 4.365 20 0 GIADRO Cn1nccc1[C@H]1CCC[C@@H]([NH2+]Cc2cccc(NC(=O)C3CCCC3)c2)C1 ZINC000571969767 823262888 /nfs/dbraw/zinc/26/28/88/823262888.db2.gz PRSCBFWNLPINOI-VQTJNVASSA-N 1 0 380.536 4.365 20 0 GIADRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)NC[C@@H]1CCCC(F)(F)C1 ZINC000409622037 823264040 /nfs/dbraw/zinc/26/40/40/823264040.db2.gz BJIIQBLRVWQUFU-MRXNPFEDSA-N 1 0 385.524 4.085 20 0 GIADRO C[C@H](c1nc2ccccc2s1)N(C)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000057202353 823264193 /nfs/dbraw/zinc/26/41/93/823264193.db2.gz LUWVRWUBLKSPHC-SJLPKXTDSA-N 1 0 396.560 4.172 20 0 GIADRO Cc1ccccc1[C@]1(F)CCN(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000409623186 823264324 /nfs/dbraw/zinc/26/43/24/823264324.db2.gz GZCNGRBJGKDOTO-QPPBQGQZSA-N 1 0 395.522 4.097 20 0 GIADRO COc1ccc(C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1-c1ccccn1 ZINC000121858516 823264489 /nfs/dbraw/zinc/26/44/89/823264489.db2.gz RTJUVNNLHCXBSH-KDURUIRLSA-N 1 0 395.547 4.245 20 0 GIADRO Cc1cccc([C@@H]2CCCN2C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)n1 ZINC000571982751 823265175 /nfs/dbraw/zinc/26/51/75/823265175.db2.gz DRTOKMMFAKUIBD-KRWDZBQOSA-N 1 0 378.398 4.237 20 0 GIADRO O[C@@H]1CC[N@H+](Cc2cc(Br)cc3cccnc32)C[C@H]1C1CCCC1 ZINC000459788865 823265219 /nfs/dbraw/zinc/26/52/19/823265219.db2.gz FSYSAMRSKGNLOW-RBUKOAKNSA-N 1 0 389.337 4.370 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)NC[C@H]2CCCC(F)(F)C2)[C@@H]1c1cccs1 ZINC000409625686 823265260 /nfs/dbraw/zinc/26/52/60/823265260.db2.gz ZJOHNZASOBQFKW-ZMSDIMECSA-N 1 0 385.524 4.256 20 0 GIADRO Cc1c2cccc(Cl)c2oc1C(=O)NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000176690523 823269004 /nfs/dbraw/zinc/26/90/04/823269004.db2.gz MHJFMYFLCPLJOS-ZIAGYGMSSA-N 1 0 378.900 4.014 20 0 GIADRO C[C@@H](C[N@H+](C)[C@@H](C)c1nnc(-c2cccc(Cl)c2)o1)C(=O)OC(C)(C)C ZINC000459801762 823266215 /nfs/dbraw/zinc/26/62/15/823266215.db2.gz HIXCUNCHWCVQEY-STQMWFEESA-N 1 0 379.888 4.361 20 0 GIADRO C[NH+](C)CC[C@H](NC(=O)Nc1cccc(-c2noc(C3CC3)n2)c1)C(C)(C)C ZINC000176684483 823267001 /nfs/dbraw/zinc/26/70/01/823267001.db2.gz NZNFDONTQOIOFZ-KRWDZBQOSA-N 1 0 385.512 4.102 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@@H]1CCCC(F)(F)C1 ZINC000409631007 823267068 /nfs/dbraw/zinc/26/70/68/823267068.db2.gz NHXXQSBBCZLCQJ-GOSISDBHSA-N 1 0 394.510 4.155 20 0 GIADRO CC(C)OCC[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000176687407 823268002 /nfs/dbraw/zinc/26/80/02/823268002.db2.gz GYZRRMAHGZWZJG-IAGOWNOFSA-N 1 0 399.362 4.103 20 0 GIADRO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]C[C@@H](O)COc1cccc2ccccc21 ZINC000121877399 823268606 /nfs/dbraw/zinc/26/86/06/823268606.db2.gz BZXZXMYMBDAIAI-VQIMIIECSA-N 1 0 381.520 4.190 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)C1(c2cccc(F)c2)CCOCC1)c1ccccc1 ZINC000057196580 823263580 /nfs/dbraw/zinc/26/35/80/823263580.db2.gz RHXCZUUNGVYGDB-JOCHJYFZSA-N 1 0 398.522 4.073 20 0 GIADRO CC(C)OCC[NH+]1CCC(NC(=O)C2(c3cccc(Cl)c3)CCCC2)CC1 ZINC000176694374 823269543 /nfs/dbraw/zinc/26/95/43/823269543.db2.gz SSGVFQGYAWDCIC-UHFFFAOYSA-N 1 0 392.971 4.157 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)CC[N@@H+]1C ZINC000572018696 823269623 /nfs/dbraw/zinc/26/96/23/823269623.db2.gz MRLIJNFTGCNPAV-JSGCOSHPSA-N 1 0 378.929 4.410 20 0 GIADRO CC(C)OCC[NH+]1CCC(NC(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000176695437 823269774 /nfs/dbraw/zinc/26/97/74/823269774.db2.gz YZSGPFLZXOIODB-MSOLQXFVSA-N 1 0 399.362 4.103 20 0 GIADRO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](Cc3cnc(C(C)(C)C)nc3)C2)cc1 ZINC000572022929 823270416 /nfs/dbraw/zinc/27/04/16/823270416.db2.gz BRAWOXNJTMSYGL-SFHVURJKSA-N 1 0 395.551 4.116 20 0 GIADRO CC[NH+]1CCC(n2nccc2NC(=O)[C@@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000409640596 823270473 /nfs/dbraw/zinc/27/04/73/823270473.db2.gz UCFDTIMISRLEHZ-AWEZNQCLSA-N 1 0 394.441 4.301 20 0 GIADRO CC(C)[N@H+](Cc1ncc(-c2ccccc2Br)o1)C1CCOCC1 ZINC000121891590 823271223 /nfs/dbraw/zinc/27/12/23/823271223.db2.gz YVFWXENSKZIYJJ-UHFFFAOYSA-N 1 0 379.298 4.494 20 0 GIADRO O=C(Nc1ccc(OC2CCCC2)c(Cl)c1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000409643928 823271586 /nfs/dbraw/zinc/27/15/86/823271586.db2.gz HDFXORYMWODHAZ-HOTGVXAUSA-N 1 0 377.916 4.410 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[C@@H](c3ccccc3OC)C2)cc1 ZINC000121892579 823271630 /nfs/dbraw/zinc/27/16/30/823271630.db2.gz GIWKKNGKXMZXQD-OAQYLSRUSA-N 1 0 395.547 4.236 20 0 GIADRO Cc1c2cc(Cl)ccc2oc1C(=O)NCCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000176704538 823272543 /nfs/dbraw/zinc/27/25/43/823272543.db2.gz VVAGGDBVEHRSFU-KBPBESRZSA-N 1 0 378.900 4.014 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccc(C(F)(F)F)cc2)cc1F ZINC000121899433 823272811 /nfs/dbraw/zinc/27/28/11/823272811.db2.gz SICAEDVRCFCYLB-ZWKOTPCHSA-N 1 0 394.412 4.326 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)[C@@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)cc1F ZINC000121899111 823272851 /nfs/dbraw/zinc/27/28/51/823272851.db2.gz SICAEDVRCFCYLB-QZTJIDSGSA-N 1 0 394.412 4.326 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@]1(O)CCC[C@H](C(F)(F)F)C1)CC3 ZINC000188614086 823273210 /nfs/dbraw/zinc/27/32/10/823273210.db2.gz SWROIWPKXQULFL-MNVSYLFESA-N 1 0 396.453 4.107 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)C2(CCF)CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000572052794 823274872 /nfs/dbraw/zinc/27/48/72/823274872.db2.gz KWSYUROCJWYTEY-WBVHZDCISA-N 1 0 386.433 4.344 20 0 GIADRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1ccccc1Br ZINC000005446796 817584127 /nfs/dbraw/zinc/58/41/27/817584127.db2.gz NCBQMEOAZQFUQR-LPHOPBHVSA-N 1 0 385.305 4.206 20 0 GIADRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1ccccc1Br ZINC000005446797 817584240 /nfs/dbraw/zinc/58/42/40/817584240.db2.gz NCBQMEOAZQFUQR-APWZRJJASA-N 1 0 385.305 4.206 20 0 GIADRO CC(C)(Cc1nc2ccccc2[nH]1)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000409648721 823273528 /nfs/dbraw/zinc/27/35/28/823273528.db2.gz LNGDQWICSFMYIW-UHFFFAOYSA-N 1 0 390.531 4.409 20 0 GIADRO O=C(NC[C@@H](c1ccccc1)C(F)(F)F)c1cccc(C[NH+]2CCCC2)c1 ZINC000188636470 823278074 /nfs/dbraw/zinc/27/80/74/823278074.db2.gz SRHWMXFKTFDITI-IBGZPJMESA-N 1 0 376.422 4.358 20 0 GIADRO O=C(CN[C@H](Cc1ccc(Cl)cc1)c1ccccn1)NCc1ccc(F)cc1 ZINC000572073683 823278130 /nfs/dbraw/zinc/27/81/30/823278130.db2.gz MTAYOCSEUFXETE-OAQYLSRUSA-N 1 0 397.881 4.064 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)Nc2cccnc2C(F)(F)F)c1 ZINC000572076969 823278651 /nfs/dbraw/zinc/27/86/51/823278651.db2.gz QFHVJQQSKGNNEA-UHFFFAOYSA-N 1 0 380.414 4.264 20 0 GIADRO Cc1ccc([C@H]([NH2+]C/C=C/c2ccc(F)c(F)c2)[C@@H](C)S(C)(=O)=O)cc1 ZINC000572079482 823279426 /nfs/dbraw/zinc/27/94/26/823279426.db2.gz CRUKLKWKWFEKBQ-XHSUDLSASA-N 1 0 379.472 4.050 20 0 GIADRO COc1ccccc1CC(C)(C)[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC000572084072 823280442 /nfs/dbraw/zinc/28/04/42/823280442.db2.gz YESVLQIEUKQINN-UHFFFAOYSA-N 1 0 388.309 4.216 20 0 GIADRO Cc1ccc(NC(=O)NCCCC[NH+]2CCN(Cc3ccccc3)CC2)cc1C ZINC000409671981 823279740 /nfs/dbraw/zinc/27/97/40/823279740.db2.gz NSPCNYGHSAMGLT-UHFFFAOYSA-N 1 0 394.563 4.023 20 0 GIADRO C[N@H+](Cc1ccccc1CNC(=O)N(C[C@@H]1CCOC1)C1CC1)C1CCCCC1 ZINC000057286246 823275841 /nfs/dbraw/zinc/27/58/41/823275841.db2.gz NBCDVECJNOSPFA-IBGZPJMESA-N 1 0 399.579 4.162 20 0 GIADRO CCN(C[C@H]1CCOC1)C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000057286151 823275935 /nfs/dbraw/zinc/27/59/35/823275935.db2.gz CRJPKCURDAZXKQ-LJQANCHMSA-N 1 0 387.568 4.019 20 0 GIADRO C[C@H]([NH2+]C[C@]1(O)CCC[C@H](C(F)(F)F)C1)c1ccc(Br)cc1O ZINC000188627928 823276068 /nfs/dbraw/zinc/27/60/68/823276068.db2.gz QADQDXBLPVVMBB-PGUXBMHVSA-N 1 0 396.247 4.289 20 0 GIADRO CC[C@H](CC(C)C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C(F)(F)F ZINC000460023589 823280050 /nfs/dbraw/zinc/28/00/50/823280050.db2.gz XECQLODGVWZFRR-OAHLLOKOSA-N 1 0 385.474 4.468 20 0 GIADRO Cc1nc(-c2ccccc2)oc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000176723764 823277767 /nfs/dbraw/zinc/27/77/67/823277767.db2.gz JQYVJBCFQXFEAV-UTKZUKDTSA-N 1 0 389.499 4.433 20 0 GIADRO COc1ccc(NC(=S)C(C(=O)c2ccc(F)cc2)[n+]2cccc(C)c2)cc1 ZINC000006333319 817678226 /nfs/dbraw/zinc/67/82/26/817678226.db2.gz YVXGBPLQWXAAQC-UHFFFAOYSA-O 1 0 395.479 4.481 20 0 GIADRO COc1cccc2c1CC[C@@H]2[NH2+][C@H](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000121938912 823281034 /nfs/dbraw/zinc/28/10/34/823281034.db2.gz WQLJIOPYWHSYHL-DYVFJYSZSA-N 1 0 388.895 4.351 20 0 GIADRO COc1cccc(Oc2ncccc2C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000121940445 823281376 /nfs/dbraw/zinc/28/13/76/823281376.db2.gz DFJSTWYYOHAESE-HBMCJLEFSA-N 1 0 380.488 4.320 20 0 GIADRO CN(C)C(=O)c1ccc(C[NH2+]C[C@@H]2CC3c4ccccc4C2c2ccccc23)[nH]1 ZINC000176741071 823282333 /nfs/dbraw/zinc/28/23/33/823282333.db2.gz QTSNYIRFHLHMIM-GRJOEGEGSA-N 1 0 385.511 4.103 20 0 GIADRO CC[NH+](CC)CCOC(=O)c1ccc(NC(=S)Nc2ccccc2C)cc1 ZINC000006629863 817712569 /nfs/dbraw/zinc/71/25/69/817712569.db2.gz JPMAYYAAPJEEBI-UHFFFAOYSA-N 1 0 385.533 4.303 20 0 GIADRO Cc1ccc([C@@H](OC[C@H](O)C[NH2+]CC2(C(F)(F)F)CC2)c2ccccc2)cc1 ZINC000572114848 823285658 /nfs/dbraw/zinc/28/56/58/823285658.db2.gz LMVFILKWISLODS-UXHICEINSA-N 1 0 393.449 4.394 20 0 GIADRO Cc1ncc(C[NH2+]CCc2coc(-c3ccc(F)cc3)n2)n1-c1ccccc1 ZINC000176759076 823285715 /nfs/dbraw/zinc/28/57/15/823285715.db2.gz ZIAMZGWKGZRZSY-UHFFFAOYSA-N 1 0 376.435 4.307 20 0 GIADRO COc1ccccc1-c1ccc(C[NH2+]C2CCN(CCOC(C)C)CC2)cc1 ZINC000176748854 823283769 /nfs/dbraw/zinc/28/37/69/823283769.db2.gz IKFMVYOQHIZWGF-UHFFFAOYSA-N 1 0 382.548 4.341 20 0 GIADRO CC[NH+]1CCC(N(C(=O)c2ccc(COc3ccc(F)cc3)o2)C2CC2)CC1 ZINC000057370765 823283958 /nfs/dbraw/zinc/28/39/58/823283958.db2.gz RSXSARZDXWAJBM-UHFFFAOYSA-N 1 0 386.467 4.087 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)NCC(C)(C)C)CC1 ZINC000460100267 823284444 /nfs/dbraw/zinc/28/44/44/823284444.db2.gz BDTHWJHMTXEXSB-UHFFFAOYSA-N 1 0 396.373 4.101 20 0 GIADRO Cc1ccccc1C1(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CCOCC1 ZINC000057383313 823286012 /nfs/dbraw/zinc/28/60/12/823286012.db2.gz JBEHSNWNQXNRDX-HXUWFJFHSA-N 1 0 398.572 4.058 20 0 GIADRO CNC(=O)c1ccc(C[NH2+][C@H](c2ccc(Br)cc2)C2CCC2)cc1 ZINC000121960056 823284844 /nfs/dbraw/zinc/28/48/44/823284844.db2.gz DRQDPAFRQKMKQF-IBGZPJMESA-N 1 0 387.321 4.440 20 0 GIADRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000409697797 823284918 /nfs/dbraw/zinc/28/49/18/823284918.db2.gz CDJMXLQBTCHCSZ-UHFFFAOYSA-N 1 0 399.388 4.320 20 0 GIADRO CCN(C(=O)Nc1cc(F)c(F)cc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000460131864 823291236 /nfs/dbraw/zinc/29/12/36/823291236.db2.gz DLCRKZUBNXYZTK-OAHLLOKOSA-N 1 0 377.410 4.232 20 0 GIADRO CC[C@H](NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)c1cccs1 ZINC000460111661 823286585 /nfs/dbraw/zinc/28/65/85/823286585.db2.gz SAUFDPKJIJZDHD-ZCNNSNEGSA-N 1 0 383.561 4.363 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)Nc2cc3c(cc2F)NC(=O)CC3)cc1)C(C)C ZINC000121976628 823287570 /nfs/dbraw/zinc/28/75/70/823287570.db2.gz NRQKVTRRNYSXHB-UHFFFAOYSA-N 1 0 383.467 4.193 20 0 GIADRO O=C(Nc1ccc(F)c(Cl)c1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000409707936 823287650 /nfs/dbraw/zinc/28/76/50/823287650.db2.gz UZJWGSYQDVOYNM-UHFFFAOYSA-N 1 0 379.838 4.404 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)Cc1csc(-c2ccc(Cl)s2)n1 ZINC000057388384 823287910 /nfs/dbraw/zinc/28/79/10/823287910.db2.gz ZXQHYEJLFBJSRB-GFCCVEGCSA-N 1 0 383.970 4.058 20 0 GIADRO Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000572130423 823287989 /nfs/dbraw/zinc/28/79/89/823287989.db2.gz QHRRAKTYOWEKKV-AAEUAGOBSA-N 1 0 397.466 4.322 20 0 GIADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc3ccccc3n2)cc1 ZINC000007219213 817796391 /nfs/dbraw/zinc/79/63/91/817796391.db2.gz WAWNYAMJQSBJQE-KRWDZBQOSA-N 1 0 397.544 4.116 20 0 GIADRO Cc1c(Cl)cccc1NC(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000176771956 823289284 /nfs/dbraw/zinc/28/92/84/823289284.db2.gz YLWKAYCYVHXQGK-HOTGVXAUSA-N 1 0 393.959 4.392 20 0 GIADRO CC(C)[C@H](C)[N@@H+]1Cc2cccc(N[C@H](C)C(=O)N3CCc4ccccc43)c2C1 ZINC000572141801 823289335 /nfs/dbraw/zinc/28/93/35/823289335.db2.gz BJEJKSYANBBWIS-MSOLQXFVSA-N 1 0 377.532 4.436 20 0 GIADRO O=C(NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1)c1ccoc1C1CC1 ZINC000409717569 823289510 /nfs/dbraw/zinc/28/95/10/823289510.db2.gz BFSHUSFHHPJXCP-UHFFFAOYSA-N 1 0 388.895 4.084 20 0 GIADRO CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)Cc1ccc(F)cc1Br ZINC000572157846 823291679 /nfs/dbraw/zinc/29/16/79/823291679.db2.gz NULNBHDYOZYCQJ-LRDDRELGSA-N 1 0 395.320 4.359 20 0 GIADRO O=C(c1ccc(-c2ccccc2)[nH]1)N1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000572144452 823289954 /nfs/dbraw/zinc/28/99/54/823289954.db2.gz SEOLHKPIODZPIT-UHFFFAOYSA-N 1 0 382.467 4.192 20 0 GIADRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCO[C@@H](c3ccco3)C2)c1 ZINC000176774723 823290075 /nfs/dbraw/zinc/29/00/75/823290075.db2.gz ASNVPNDUHJEWOV-HSZRJFAPSA-N 1 0 390.483 4.125 20 0 GIADRO CCOc1cccc2[nH]cc(CC(=O)Nc3cccc(OCCC[NH+](C)C)c3)c21 ZINC000188711694 823290654 /nfs/dbraw/zinc/29/06/54/823290654.db2.gz BTVDSZPEXGBWJP-UHFFFAOYSA-N 1 0 395.503 4.078 20 0 GIADRO CC(C)[NH2+]C1CCN(c2nn3cc(-c4ccc(Cl)cc4)nc3s2)CC1 ZINC000188717173 823292031 /nfs/dbraw/zinc/29/20/31/823292031.db2.gz VVRBYBMQNICSSK-UHFFFAOYSA-N 1 0 375.929 4.078 20 0 GIADRO O=C(Cc1c(Cl)cccc1Cl)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000007406369 817832344 /nfs/dbraw/zinc/83/23/44/817832344.db2.gz RSQGBSWKDYHWBT-KRWDZBQOSA-N 1 0 381.303 4.472 20 0 GIADRO CCOc1c(OC)cc(C[NH2+][C@H]2CCc3c2ccc(OC)c3F)cc1OC ZINC000572159043 823292050 /nfs/dbraw/zinc/29/20/50/823292050.db2.gz UASDLYAZGLTRJX-INIZCTEOSA-N 1 0 375.440 4.027 20 0 GIADRO COc1ccc([C@H](C)C[N@@H+]2CCC[C@H](c3nc(C(F)(F)F)cn3C)C2)cc1 ZINC000572165324 823292780 /nfs/dbraw/zinc/29/27/80/823292780.db2.gz AZAOXNFFAJCSEF-ZBFHGGJFSA-N 1 0 381.442 4.431 20 0 GIADRO COc1cc(C)c(C[N@H+](C)Cc2cc(=O)oc3cc(C)c(C)cc23)cc1OC ZINC000007453887 817845274 /nfs/dbraw/zinc/84/52/74/817845274.db2.gz RQIMUWHOHJJKPJ-UHFFFAOYSA-N 1 0 381.472 4.367 20 0 GIADRO CCc1ccc2c(C[N@H+](C)Cc3cc(OC)c(OC)cc3C)cc(=O)oc2c1 ZINC000007453181 817845504 /nfs/dbraw/zinc/84/55/04/817845504.db2.gz HVNSPZJQQZDXEB-UHFFFAOYSA-N 1 0 381.472 4.313 20 0 GIADRO Cc1nc(CC(C)C)oc1C(=O)Nc1ccc(C[NH+]2CCSCC2)cc1C ZINC000188721303 823292979 /nfs/dbraw/zinc/29/29/79/823292979.db2.gz WEVDDMGPHLKVAP-UHFFFAOYSA-N 1 0 387.549 4.291 20 0 GIADRO Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CCc2ccccc2OC(F)F)c1C ZINC000188721455 823293050 /nfs/dbraw/zinc/29/30/50/823293050.db2.gz ZYWOOZFBSJSAOK-OAHLLOKOSA-N 1 0 376.447 4.454 20 0 GIADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N[C@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000460138930 823293903 /nfs/dbraw/zinc/29/39/03/823293903.db2.gz MMHMIENRKFAQPW-SGTLLEGYSA-N 1 0 382.335 4.228 20 0 GIADRO COc1cccc(C[NH2+][C@H]2c3cc(Br)ccc3SC[C@@H]2C)n1 ZINC000572192457 823297631 /nfs/dbraw/zinc/29/76/31/823297631.db2.gz HHMTXTKWHLICHH-APPDUMDISA-N 1 0 379.323 4.425 20 0 GIADRO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1cccc2ccccc21 ZINC000007669919 817891252 /nfs/dbraw/zinc/89/12/52/817891252.db2.gz WHKPYONLRBBPTN-UHFFFAOYSA-N 1 0 375.472 4.259 20 0 GIADRO CCOc1cccc2cc([C@@H](C)[NH2+][C@H](C)CS(=O)(=O)c3ccccc3)oc21 ZINC000122004670 823291907 /nfs/dbraw/zinc/29/19/07/823291907.db2.gz YELWMGYPJKNWLI-HZPDHXFCSA-N 1 0 387.501 4.345 20 0 GIADRO CCN(C(=O)N[C@H](C1CC1)C(F)(F)F)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000572159948 823291927 /nfs/dbraw/zinc/29/19/27/823291927.db2.gz KEWGYKSUHMINER-ZTFGCOKTSA-N 1 0 383.458 4.194 20 0 GIADRO CC(C)(C)OC(=O)NCCCOC1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000176817825 823300966 /nfs/dbraw/zinc/30/09/66/823300966.db2.gz JCQMOBHESMJXAV-UHFFFAOYSA-N 1 0 385.508 4.135 20 0 GIADRO O=C(C(Cc1ccccc1)Cc1ccccc1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000409760304 823301034 /nfs/dbraw/zinc/30/10/34/823301034.db2.gz VFKAKXWVVQVOQH-DEOSSOPVSA-N 1 0 390.571 4.422 20 0 GIADRO COc1ccc2cc(C[N@H+](C)[C@H](C)C(=O)NCCc3cccs3)ccc2c1 ZINC000007805900 817921074 /nfs/dbraw/zinc/92/10/74/817921074.db2.gz PPDPVOYWLCJNAO-MRXNPFEDSA-N 1 0 382.529 4.089 20 0 GIADRO O=C(Cc1c[nH]c2cc(F)ccc12)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000572210937 823301322 /nfs/dbraw/zinc/30/13/22/823301322.db2.gz BHRCMFKYOKUONZ-IBGZPJMESA-N 1 0 393.506 4.268 20 0 GIADRO CC1CC[NH+](Cc2ccc(CNC(=O)N3CCCc4occc4C3)cc2)CC1 ZINC000460162203 823302124 /nfs/dbraw/zinc/30/21/24/823302124.db2.gz BIHKEJBMKMPVHA-UHFFFAOYSA-N 1 0 381.520 4.170 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCCc3occc3C2)cc1 ZINC000460163154 823302483 /nfs/dbraw/zinc/30/24/83/823302483.db2.gz BKQKYEDABYQCLA-SFHVURJKSA-N 1 0 381.520 4.312 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cccc(C)c2)cc1Br ZINC000007879185 817947736 /nfs/dbraw/zinc/94/77/36/817947736.db2.gz QFTOLJXOMQZVDZ-CYBMUJFWSA-N 1 0 377.282 4.055 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(C)c(F)c2)cc1Br ZINC000007879364 817948199 /nfs/dbraw/zinc/94/81/99/817948199.db2.gz CHLPRFLNHBWQIM-GFCCVEGCSA-N 1 0 395.272 4.195 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)CC1 ZINC000572197612 823298435 /nfs/dbraw/zinc/29/84/35/823298435.db2.gz JEZHSBPZFPSWPN-RTWAWAEBSA-N 1 0 375.532 4.225 20 0 GIADRO C[C@H](C(=O)NCCc1cccs1)[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000007919447 817958071 /nfs/dbraw/zinc/95/80/71/817958071.db2.gz DSCGNVVLPPENDX-CVEARBPZSA-N 1 0 399.585 4.285 20 0 GIADRO COc1ccc2cc(C[N@H+](C)[C@@H](C)C(=O)Nc3ccccc3OC)ccc2c1 ZINC000007926775 817960917 /nfs/dbraw/zinc/96/09/17/817960917.db2.gz QKAOJUOLMMLSPC-INIZCTEOSA-N 1 0 378.472 4.316 20 0 GIADRO C[NH+](C)Cc1ccccc1CNC(=O)CCSc1nc2ccccc2s1 ZINC000007941590 817965850 /nfs/dbraw/zinc/96/58/50/817965850.db2.gz NBQNZXQFYSBCLJ-UHFFFAOYSA-N 1 0 385.558 4.157 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cccc(Br)c1 ZINC000007945614 817966532 /nfs/dbraw/zinc/96/65/32/817966532.db2.gz XOGPUBXHNQPNBV-UHFFFAOYSA-N 1 0 375.310 4.221 20 0 GIADRO COc1ccc2nc(C[NH2+][C@H]3CCO[C@@H]3c3ccc(F)c(F)c3)sc2c1 ZINC000188760607 823299222 /nfs/dbraw/zinc/29/92/22/823299222.db2.gz AQPBHZMMPRDJMJ-QFBILLFUSA-N 1 0 376.428 4.203 20 0 GIADRO COc1ccccc1C[C@H](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000409768638 823303108 /nfs/dbraw/zinc/30/31/08/823303108.db2.gz WEZYUGZVZHRRLI-SFHVURJKSA-N 1 0 398.572 4.451 20 0 GIADRO CCN(CC)C(=O)c1ccc(NC(=O)C[NH2+][C@@H](c2ccc(F)cc2)C(C)C)cc1 ZINC000008003949 817979422 /nfs/dbraw/zinc/97/94/22/817979422.db2.gz ZSSGAMYWTCBNND-JOCHJYFZSA-N 1 0 399.510 4.233 20 0 GIADRO CCCOc1ncccc1C[NH2+][C@@H](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000122060713 823300269 /nfs/dbraw/zinc/30/02/69/823300269.db2.gz KFMAMRUDNQAFBO-AWEZNQCLSA-N 1 0 391.899 4.039 20 0 GIADRO C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CC[NH+](CC2(C)CC2)CC1 ZINC000572221124 823303675 /nfs/dbraw/zinc/30/36/75/823303675.db2.gz KHIKPPWIPVJFQM-CQSZACIVSA-N 1 0 394.441 4.234 20 0 GIADRO Fc1cccc(-c2noc([C@@H]3CCC[N@H+](Cc4ccc5c(n4)CCC5)C3)n2)c1 ZINC000572220729 823303704 /nfs/dbraw/zinc/30/37/04/823303704.db2.gz YGMIIZIBXFIQKQ-QGZVFWFLSA-N 1 0 378.451 4.139 20 0 GIADRO CC(C)OCc1c2ccccc2oc1C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000057544187 823308491 /nfs/dbraw/zinc/30/84/91/823308491.db2.gz ZOJVVAAFINHLHG-ROUUACIJSA-N 1 0 386.536 4.456 20 0 GIADRO CC[C@@H](c1ccncc1)N(C)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000122084640 823303901 /nfs/dbraw/zinc/30/39/01/823303901.db2.gz FIFNBZPHIJZGIC-QFIPXVFZSA-N 1 0 380.536 4.360 20 0 GIADRO CC(C)OCc1c2ccccc2oc1C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000057544190 823308562 /nfs/dbraw/zinc/30/85/62/823308562.db2.gz ZOJVVAAFINHLHG-QZTJIDSGSA-N 1 0 386.536 4.456 20 0 GIADRO C[C@@H](C1CC1)n1cc(NC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)cn1 ZINC000188782344 823304671 /nfs/dbraw/zinc/30/46/71/823304671.db2.gz CKVLOLMNTPSTNT-INIZCTEOSA-N 1 0 399.564 4.089 20 0 GIADRO CCC[NH+]1CCC(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000008130636 818005236 /nfs/dbraw/zinc/00/52/36/818005236.db2.gz CTJMTENHVSZQEQ-UHFFFAOYSA-N 1 0 388.515 4.144 20 0 GIADRO C[C@H](c1ccco1)N(C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)C1CC1 ZINC000122099390 823306060 /nfs/dbraw/zinc/30/60/60/823306060.db2.gz HLCBWKHORZHMGY-QUCCMNQESA-N 1 0 381.520 4.079 20 0 GIADRO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)Nc1nc(-c2ccc(F)c(Cl)c2)cs1 ZINC000572238236 823306147 /nfs/dbraw/zinc/30/61/47/823306147.db2.gz IBUIGNBONPVVSL-VGPLMAKISA-N 1 0 379.888 4.462 20 0 GIADRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)CSc2cccc(C(F)(F)F)c2)CC1 ZINC000572241714 823306338 /nfs/dbraw/zinc/30/63/38/823306338.db2.gz AERIEKWNWPFOIJ-KRWDZBQOSA-N 1 0 386.483 4.034 20 0 GIADRO CCOC1CC(CC[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000188789432 823306340 /nfs/dbraw/zinc/30/63/40/823306340.db2.gz LSDFXESJYZAGLN-UHFFFAOYSA-N 1 0 378.314 4.134 20 0 GIADRO COc1cnccc1[C@H](C)[NH2+][C@H](C)c1ccc(I)cc1 ZINC000188790925 823306611 /nfs/dbraw/zinc/30/66/11/823306611.db2.gz KWUOXRQNKYGSQD-NEPJUHHUSA-N 1 0 382.245 4.107 20 0 GIADRO CCC(CC)C(=O)N1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)CC1 ZINC000572242625 823306757 /nfs/dbraw/zinc/30/67/57/823306757.db2.gz UCJYCTVUTYFPLF-HSZRJFAPSA-N 1 0 397.607 4.200 20 0 GIADRO CC[C@H](c1nnc(N2CCC[C@H]([NH+]3CCCC3)CC2)n1CC)c1ccccc1 ZINC000460178421 823306903 /nfs/dbraw/zinc/30/69/03/823306903.db2.gz OSERBEJVVSUSHN-SFTDATJTSA-N 1 0 381.568 4.295 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)N(Cc2ccccc2)C[C@H](O)c2ccco2)c1 ZINC000176848458 823308861 /nfs/dbraw/zinc/30/88/61/823308861.db2.gz DFNAQYYXJIKXKN-NRFANRHFSA-N 1 0 393.487 4.109 20 0 GIADRO CC[C@@H](c1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1CC)c1ccccc1 ZINC000460178483 823307214 /nfs/dbraw/zinc/30/72/14/823307214.db2.gz PFLZYMSSLKJELK-OAQYLSRUSA-N 1 0 381.568 4.295 20 0 GIADRO Cc1cc(NC(=O)[C@@H](C)[NH2+]C[C@@H](c2c[nH]c3ccccc32)c2ccccc2)on1 ZINC000011037506 818046829 /nfs/dbraw/zinc/04/68/29/818046829.db2.gz XYOXUMPVJKPLNL-VQIMIIECSA-N 1 0 388.471 4.213 20 0 GIADRO O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)c1cc2ccccc2o1 ZINC000176844934 823307452 /nfs/dbraw/zinc/30/74/52/823307452.db2.gz PPANQHFNQSKCJQ-UHFFFAOYSA-N 1 0 392.499 4.234 20 0 GIADRO CCCOc1ccc(C[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)c(C)c1 ZINC000188795465 823307690 /nfs/dbraw/zinc/30/76/90/823307690.db2.gz VIVOXWYMZAOVMI-UHFFFAOYSA-N 1 0 393.487 4.235 20 0 GIADRO C[C@@H](C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1)c1cccs1 ZINC000176848933 823309053 /nfs/dbraw/zinc/30/90/53/823309053.db2.gz AYHQOGBEARXIQT-GOSISDBHSA-N 1 0 386.561 4.039 20 0 GIADRO COc1cc([C@H](C)NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)ccc1OC(C)C ZINC000057612942 823314789 /nfs/dbraw/zinc/31/47/89/823314789.db2.gz RRGLMQJVWZAIFR-KRWDZBQOSA-N 1 0 391.556 4.059 20 0 GIADRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)nc(C(F)F)n2C ZINC000409800091 823310355 /nfs/dbraw/zinc/31/03/55/823310355.db2.gz SUQNUOSVVAVWNO-JKSUJKDBSA-N 1 0 392.494 4.141 20 0 GIADRO CC(C)(C)OC(=O)Nc1ccc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000011422719 818080213 /nfs/dbraw/zinc/08/02/13/818080213.db2.gz DWDUVSUTUCUGKK-UHFFFAOYSA-N 1 0 375.513 4.073 20 0 GIADRO CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000122130057 823310921 /nfs/dbraw/zinc/31/09/21/823310921.db2.gz HKHQWVHCMAZDGY-RTWAWAEBSA-N 1 0 397.519 4.196 20 0 GIADRO Cc1ccc(-c2ocnc2C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000460189535 823310992 /nfs/dbraw/zinc/31/09/92/823310992.db2.gz DDBWMOGSMHQPCA-IBGZPJMESA-N 1 0 389.499 4.387 20 0 GIADRO C[NH+](C)CC1(C(=O)Nc2nnc(SCc3ccccc3)s2)CCCCC1 ZINC000460192724 823311772 /nfs/dbraw/zinc/31/17/72/823311772.db2.gz LCCONNYCCMDBGW-UHFFFAOYSA-N 1 0 390.578 4.281 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@H]1CCSc2ccccc21 ZINC000460196330 823312913 /nfs/dbraw/zinc/31/29/13/823312913.db2.gz WJDHEGAFNFLHFF-NQIIRXRSSA-N 1 0 380.557 4.389 20 0 GIADRO C[C@H]1C[NH+](CCCNC(=O)Nc2ccc3c(c2)oc2ccccc23)C[C@H](C)O1 ZINC000057598375 823313035 /nfs/dbraw/zinc/31/30/35/823313035.db2.gz PRZZDNNINKQNAH-HOTGVXAUSA-N 1 0 381.476 4.207 20 0 GIADRO COc1ccc(C[N@H+](CC(=O)Nc2cc(C(C)(C)C)no2)[C@@H](C)C2CC2)cc1 ZINC000057601985 823313536 /nfs/dbraw/zinc/31/35/36/823313536.db2.gz GNNLRTWLRAMBHC-HNNXBMFYSA-N 1 0 385.508 4.220 20 0 GIADRO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)CC3CC(c4ccccc4)C3)CC2)C[C@H](C)O1 ZINC000409811314 823313915 /nfs/dbraw/zinc/31/39/15/823313915.db2.gz VYZZTJCWCQUDPC-BSMMWTMHSA-N 1 0 398.591 4.308 20 0 GIADRO Cc1ccc2[nH+]cc(C(=O)[O-])c(NC[C@H]3CCC[N@H+](Cc4cccs4)C3)c2c1 ZINC000572291175 823314525 /nfs/dbraw/zinc/31/45/25/823314525.db2.gz DCPDRBKAFRFMCY-MRXNPFEDSA-N 1 0 395.528 4.049 20 0 GIADRO O=C(N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000188831489 823314572 /nfs/dbraw/zinc/31/45/72/823314572.db2.gz YMHIQMDAWZCCFM-BEFAXECRSA-N 1 0 392.465 4.212 20 0 GIADRO Clc1ccc2c(c1)nccc2SCC[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000122166034 823315580 /nfs/dbraw/zinc/31/55/80/823315580.db2.gz UKONXWITIVRETF-WMZOPIPTSA-N 1 0 380.966 4.187 20 0 GIADRO C[N@H+](Cc1ccc(-c2ccc(Br)cc2)s1)CC1(O)CCOCC1 ZINC000188840440 823315898 /nfs/dbraw/zinc/31/58/98/823315898.db2.gz QFGHJKUYCVHWOE-UHFFFAOYSA-N 1 0 396.350 4.151 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(Cc3ccccc3C)n2CC(C)C)C1 ZINC000572298965 823316109 /nfs/dbraw/zinc/31/61/09/823316109.db2.gz JOJXHOJBWIBPDG-FQEVSTJZSA-N 1 0 383.584 4.001 20 0 GIADRO COc1cc(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)cc(Cl)c1O ZINC000460205412 823316609 /nfs/dbraw/zinc/31/66/09/823316609.db2.gz YZVKDBUORZSTQR-UHFFFAOYSA-N 1 0 388.895 4.335 20 0 GIADRO Cc1nc(CC(C)C)oc1C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000188849136 823316977 /nfs/dbraw/zinc/31/69/77/823316977.db2.gz CADYUAGDBQRITB-UHFFFAOYSA-N 1 0 398.551 4.212 20 0 GIADRO COc1cc2[nH]c(CCC[NH2+][C@H](C)c3cn4ccccc4n3)cc2c(OC)c1 ZINC000572308288 823317300 /nfs/dbraw/zinc/31/73/00/823317300.db2.gz TWZROCBKVCECRZ-OAHLLOKOSA-N 1 0 378.476 4.116 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccccc2SC(F)(F)F)C1 ZINC000176893247 823319028 /nfs/dbraw/zinc/31/90/28/823319028.db2.gz KRHYFJGAHRINIH-ZDUSSCGKSA-N 1 0 375.460 4.494 20 0 GIADRO C[C@H](C(=O)N1CCC[C@@H](Cc2nccn2C)C1)c1ccc(C(F)(F)F)cc1 ZINC000409830480 823319130 /nfs/dbraw/zinc/31/91/30/823319130.db2.gz SHORSXDUKAFAGK-GJZGRUSLSA-N 1 0 379.426 4.024 20 0 GIADRO CCn1c(Cc2cccc3ccccc32)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460213952 823319386 /nfs/dbraw/zinc/31/93/86/823319386.db2.gz UGRMYVQIAWARDL-RXVVDRJESA-N 1 0 389.547 4.105 20 0 GIADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2ccc(C(C)C)cc2)cc1 ZINC000013621915 818214548 /nfs/dbraw/zinc/21/45/48/818214548.db2.gz BKKJPEYMYYPBGT-UHFFFAOYSA-N 1 0 381.520 4.134 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2scnc2C(C)(C)C)[C@H]1c1cccs1 ZINC000176898843 823320157 /nfs/dbraw/zinc/32/01/57/823320157.db2.gz PDKNWAQEZWZREL-ZFWWWQNUSA-N 1 0 377.579 4.315 20 0 GIADRO CCN(CC)C(=O)[C@@H]([NH2+][C@H]1C[C@H](c2ccc(OC)c(F)c2)C1)c1ccccc1 ZINC000409837327 823321100 /nfs/dbraw/zinc/32/11/00/823321100.db2.gz REOXUIBYPGNWPL-IPJJNNNSSA-N 1 0 384.495 4.280 20 0 GIADRO O=C(C[NH2+][C@@H]1CCc2c1cc(Cl)cc2Cl)N[C@@H]1CCOc2ccccc21 ZINC000409837848 823321237 /nfs/dbraw/zinc/32/12/37/823321237.db2.gz TUKUURUTZHXSLT-QZTJIDSGSA-N 1 0 391.298 4.210 20 0 GIADRO O=C(C[NH2+][C@@H]1CCc2c1cc(Cl)cc2Cl)N[C@H]1CCOc2ccccc21 ZINC000409837845 823321285 /nfs/dbraw/zinc/32/12/85/823321285.db2.gz TUKUURUTZHXSLT-MSOLQXFVSA-N 1 0 391.298 4.210 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccoc1C1CC1 ZINC000409841361 823322420 /nfs/dbraw/zinc/32/24/20/823322420.db2.gz AFQOXYXKBWXICL-UHFFFAOYSA-N 1 0 380.410 4.380 20 0 GIADRO CCc1nc(C)c([C@@H](C)[N@H+](C)CCCCN2C(=O)c3ccccc3C2=O)s1 ZINC000122218610 823322939 /nfs/dbraw/zinc/32/29/39/823322939.db2.gz OOVUUGIIRQDRMM-OAHLLOKOSA-N 1 0 385.533 4.083 20 0 GIADRO CC(C)(C)OC(=O)N1CC[C@@H](C[N@@H+]2CCC[C@@H]2CC(=O)c2cccs2)C1 ZINC000176915424 823323413 /nfs/dbraw/zinc/32/34/13/823323413.db2.gz ZCJZLMPXMHWENV-JKSUJKDBSA-N 1 0 378.538 4.042 20 0 GIADRO CSc1ccccc1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000409845280 823323609 /nfs/dbraw/zinc/32/36/09/823323609.db2.gz QAPYIPRGWLLZOO-HZPDHXFCSA-N 1 0 397.544 4.213 20 0 GIADRO COc1ccccc1C[C@H](C)CC(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000409847359 823324211 /nfs/dbraw/zinc/32/42/11/823324211.db2.gz DOPJOJGBKDLYRK-JQVVWYNYSA-N 1 0 380.532 4.216 20 0 GIADRO Cc1ccc(Oc2ccc(NC(=O)NC3CC[NH+](CC(C)C)CC3)cn2)cc1 ZINC000057725958 823325284 /nfs/dbraw/zinc/32/52/84/823325284.db2.gz JEZPXLLFHUTVEU-UHFFFAOYSA-N 1 0 382.508 4.424 20 0 GIADRO C[NH+](C)Cc1ccc(C(=O)N2CCC[C@H](COc3ccccc3Cl)C2)cc1 ZINC000122247550 823327344 /nfs/dbraw/zinc/32/73/44/823327344.db2.gz OODYXOMJGBUXHA-SFHVURJKSA-N 1 0 386.923 4.333 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1oc(CC(C)C)nc1C ZINC000188913045 823327588 /nfs/dbraw/zinc/32/75/88/823327588.db2.gz AIBSGDOVRPIHNC-HXUWFJFHSA-N 1 0 383.536 4.166 20 0 GIADRO O=C(Nc1nc(C2CC[NH2+]CC2)cs1)c1ccnc(Oc2ccccc2)c1 ZINC000572362619 823327717 /nfs/dbraw/zinc/32/77/17/823327717.db2.gz USITXYNMNNOXJO-UHFFFAOYSA-N 1 0 380.473 4.050 20 0 GIADRO Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@](C)(Cc2ccccc2)[C@@H](C)O)c(C)c1 ZINC000188914969 823327930 /nfs/dbraw/zinc/32/79/30/823327930.db2.gz IYFRSTLSPCDVQZ-ROKPMTFOSA-N 1 0 382.548 4.240 20 0 GIADRO COc1cccc(-c2noc([C@H](C)NCc3[nH+]c(C(C)C)n4ccccc34)n2)c1 ZINC000572369397 823328422 /nfs/dbraw/zinc/32/84/22/823328422.db2.gz DHPIIQYZDDOUAQ-HNNXBMFYSA-N 1 0 391.475 4.367 20 0 GIADRO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000122256622 823328758 /nfs/dbraw/zinc/32/87/58/823328758.db2.gz KOPPSSKRXZHBCO-AUUYWEPGSA-N 1 0 395.471 4.117 20 0 GIADRO Cc1ccc(OCc2nc(C[NH2+][C@H](CO)Cc3ccccc3C)cs2)cc1 ZINC000188922019 823328795 /nfs/dbraw/zinc/32/87/95/823328795.db2.gz QALCEMBBRJJLGO-IBGZPJMESA-N 1 0 382.529 4.032 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)c1cccc(OCc2ccccc2)c1)c1cccc(CO)c1 ZINC000122260602 823329060 /nfs/dbraw/zinc/32/90/60/823329060.db2.gz BPDXUBZRNYIQSQ-MHECFPHRSA-N 1 0 377.484 4.142 20 0 GIADRO COc1ccc(OCC[NH2+]Cc2c(C)nn(Cc3ccccc3)c2Cl)cc1 ZINC000015581569 818342290 /nfs/dbraw/zinc/34/22/90/818342290.db2.gz GJZKXVWEBIBELN-UHFFFAOYSA-N 1 0 385.895 4.070 20 0 GIADRO C[C@H](C(=O)N[C@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000409863625 823329708 /nfs/dbraw/zinc/32/97/08/823329708.db2.gz CUDRHOIUFCCJND-JVPBZIDWSA-N 1 0 376.422 4.023 20 0 GIADRO CC[C@@H](C)Sc1ccc(NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c(C)c1 ZINC000176940902 823329858 /nfs/dbraw/zinc/32/98/58/823329858.db2.gz WTLNZIUICLVTFU-MSOLQXFVSA-N 1 0 391.581 4.072 20 0 GIADRO C[C@@H](CCCC(F)(F)F)NC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000572382450 823329860 /nfs/dbraw/zinc/32/98/60/823329860.db2.gz XNHRNHZMIVVMMT-SWLSCSKDSA-N 1 0 379.854 4.363 20 0 GIADRO CC[C@H](C)Sc1ccc(NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c(C)c1 ZINC000176940941 823330102 /nfs/dbraw/zinc/33/01/02/823330102.db2.gz WTLNZIUICLVTFU-ZWKOTPCHSA-N 1 0 391.581 4.072 20 0 GIADRO CC(=O)Nc1ccccc1C[NH2+][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000188934254 823330271 /nfs/dbraw/zinc/33/02/71/823330271.db2.gz BXULCQJOKIWYAZ-MRXNPFEDSA-N 1 0 378.303 4.320 20 0 GIADRO CC[NH+]1CCC(CNC(=O)[C@H](Cc2c(C)cc(C)cc2C)C(F)(F)F)CC1 ZINC000572382720 823330350 /nfs/dbraw/zinc/33/03/50/823330350.db2.gz CBCUSUNKXXIOES-IBGZPJMESA-N 1 0 384.486 4.181 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)Nc2ccc(F)c(F)c2F)CC[N@@H+]1Cc1ccccc1 ZINC000176948861 823332193 /nfs/dbraw/zinc/33/21/93/823332193.db2.gz CFWBFWQEZHFLGO-HIFRSBDPSA-N 1 0 377.410 4.279 20 0 GIADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)CCc1ccc(OC)c(Cl)c1)c1ccco1 ZINC000572387236 823331077 /nfs/dbraw/zinc/33/10/77/823331077.db2.gz RSEONFAKJJZIKL-YOEHRIQHSA-N 1 0 378.900 4.120 20 0 GIADRO Cc1cc(Br)cc(C)c1NC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000057774256 823331284 /nfs/dbraw/zinc/33/12/84/823331284.db2.gz ZCEXRKNBJPPNJI-KRWDZBQOSA-N 1 0 390.325 4.490 20 0 GIADRO Cn1ccnc1[C@@H]1CCN(C(=O)c2cccn2-c2c(Cl)cccc2Cl)C1 ZINC000409874649 823332757 /nfs/dbraw/zinc/33/27/57/823332757.db2.gz LBGSGGINPLKNFA-CYBMUJFWSA-N 1 0 389.286 4.147 20 0 GIADRO Cc1oc2ccccc2c1C[NH+]1CCC(C(=O)NCCc2cccs2)CC1 ZINC000122317897 823337283 /nfs/dbraw/zinc/33/72/83/823337283.db2.gz TZIIKCGJYJNAAA-UHFFFAOYSA-N 1 0 382.529 4.374 20 0 GIADRO Cc1cc(SC(C)(C)C)ccc1NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000176953242 823333186 /nfs/dbraw/zinc/33/31/86/823333186.db2.gz KCCVQFLXYYQTRE-KRWDZBQOSA-N 1 0 391.581 4.072 20 0 GIADRO O=C(CCSc1ccccc1F)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000057788140 823333158 /nfs/dbraw/zinc/33/31/58/823333158.db2.gz KYJATZWJSXXHAI-KRWDZBQOSA-N 1 0 376.497 4.244 20 0 GIADRO O=C(CSc1ccc(F)c(F)c1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000057790973 823333386 /nfs/dbraw/zinc/33/33/86/823333386.db2.gz JYYUWYFEBURODQ-IBGZPJMESA-N 1 0 376.472 4.010 20 0 GIADRO COc1ccccc1[C@H]1CC[N@H+](C[C@@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC000572409342 823333971 /nfs/dbraw/zinc/33/39/71/823333971.db2.gz JVISGYUOXMKRFG-AZUAARDMSA-N 1 0 383.532 4.222 20 0 GIADRO CCN(CCC[NH+](C)C)C(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C ZINC000188957987 823334058 /nfs/dbraw/zinc/33/40/58/823334058.db2.gz YEYAWYRAZJDYHQ-UHFFFAOYSA-N 1 0 399.564 4.155 20 0 GIADRO C[C@H]1C[N@@H+]([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CCC1(F)F ZINC000572411927 823334338 /nfs/dbraw/zinc/33/43/38/823334338.db2.gz KUAZLCATLOQQMC-XJKSGUPXSA-N 1 0 390.396 4.174 20 0 GIADRO C[NH+]1CCC(NC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)CC1 ZINC000057801430 823334450 /nfs/dbraw/zinc/33/44/50/823334450.db2.gz KEECJRSEMQMQIS-UHFFFAOYSA-N 1 0 397.569 4.413 20 0 GIADRO COc1ccc([C@H](C[NH2+]Cc2cc(Br)cs2)N2CCCC2)cc1 ZINC000057801175 823334555 /nfs/dbraw/zinc/33/45/55/823334555.db2.gz BTIUOIOCJZYULJ-SFHVURJKSA-N 1 0 395.366 4.446 20 0 GIADRO CC[NH+](CC)[C@@H](C(=O)N[C@H](C)CC(C)(C)OC)c1cccc(C(F)(F)F)c1 ZINC000460264367 823334568 /nfs/dbraw/zinc/33/45/68/823334568.db2.gz JBANZECYUZOJHS-RHSMWYFYSA-N 1 0 388.474 4.408 20 0 GIADRO Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000188962717 823334721 /nfs/dbraw/zinc/33/47/21/823334721.db2.gz KMEQMWHTDPZHTR-HZPDHXFCSA-N 1 0 395.425 4.271 20 0 GIADRO O=C(NCC[NH+]1CCCC1)c1sc(-c2ccccc2)nc1-c1ccccc1 ZINC000016236671 818407968 /nfs/dbraw/zinc/40/79/68/818407968.db2.gz RIDWULHGVIQVID-UHFFFAOYSA-N 1 0 377.513 4.303 20 0 GIADRO CCOC(=O)c1ccc(NC(=S)N(CCC[NH+](C)C)Cc2ccccc2)cc1 ZINC000016238834 818408924 /nfs/dbraw/zinc/40/89/24/818408924.db2.gz ZOFLNMTUBLKDNL-UHFFFAOYSA-N 1 0 399.560 4.014 20 0 GIADRO C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccc([C@H]2C[C@H]2C)o1)[N@@H+]1CCc2ccccc2C1 ZINC000409890361 823336808 /nfs/dbraw/zinc/33/68/08/823336808.db2.gz HIETUYFVDGCPBN-XJGBBZTQSA-N 1 0 378.516 4.070 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1ccccc1OCc1ccc(F)cc1)c1ccccc1 ZINC000016599362 818458913 /nfs/dbraw/zinc/45/89/13/818458913.db2.gz SXSZFGBOHXGRPX-QFIPXVFZSA-N 1 0 392.474 4.437 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1cc(-c2cccnc2)nc2ccccc21)c1ccccc1 ZINC000016599386 818459003 /nfs/dbraw/zinc/45/90/03/818459003.db2.gz OSEQWGHVKQDSJR-DEOSSOPVSA-N 1 0 396.494 4.330 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc(OC(C)C)c(OC)c2)cc1 ZINC000016780104 818477525 /nfs/dbraw/zinc/47/75/25/818477525.db2.gz GNBPVFIWTCIVOD-UHFFFAOYSA-N 1 0 384.520 4.254 20 0 GIADRO C[NH+](C)Cc1cc(CNC(=O)N2CC[C@@H](C(F)(F)F)C(C)(C)C2)ccc1F ZINC000189002213 823340234 /nfs/dbraw/zinc/34/02/34/823340234.db2.gz AHPMLKWTYWCPFM-MRXNPFEDSA-N 1 0 389.437 4.007 20 0 GIADRO Cc1cc2cc(NC(=O)N3CCC(CC[N@@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)ccc2[nH]1 ZINC000176978094 823340732 /nfs/dbraw/zinc/34/07/32/823340732.db2.gz NRNBCMQKDJNLJM-HDICACEKSA-N 1 0 398.551 4.220 20 0 GIADRO O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CCN(c2ccccc2Cl)CC1 ZINC000017120000 818500875 /nfs/dbraw/zinc/50/08/75/818500875.db2.gz SETJGMQUXUAJSR-UHFFFAOYSA-N 1 0 397.950 4.288 20 0 GIADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1ccc2[nH]c(C)cc2c1 ZINC000176978386 823340950 /nfs/dbraw/zinc/34/09/50/823340950.db2.gz MOWJYVZZTHTANV-NRFANRHFSA-N 1 0 391.519 4.390 20 0 GIADRO CN(C)c1cc(Cl)cc(Cl)c1C[NH2+][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000572447064 823341329 /nfs/dbraw/zinc/34/13/29/823341329.db2.gz VUDYWQMYXCNVRO-DYVFJYSZSA-N 1 0 375.365 4.204 20 0 GIADRO Cc1nc(CC(C)C)oc1C(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000189008122 823341489 /nfs/dbraw/zinc/34/14/89/823341489.db2.gz OMOWRLGEWGVSRS-IAGOWNOFSA-N 1 0 383.536 4.068 20 0 GIADRO C[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)c1cccc(OCc2ccccn2)c1 ZINC000460294583 823343373 /nfs/dbraw/zinc/34/33/73/823343373.db2.gz YKLGEUZGFIVLJR-IBGZPJMESA-N 1 0 395.547 4.350 20 0 GIADRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc2c(s1)-c1ccccc1OC2 ZINC000017701779 818524615 /nfs/dbraw/zinc/52/46/15/818524615.db2.gz QPVTUONMRMNEHT-GOSISDBHSA-N 1 0 390.508 4.312 20 0 GIADRO C[NH+](C)C1(CNC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)CCCCC1 ZINC000017910719 818532766 /nfs/dbraw/zinc/53/27/66/818532766.db2.gz QZGAKQPYROMKLQ-UHFFFAOYSA-N 1 0 375.513 4.028 20 0 GIADRO COc1ccc([C@H](CNC(=O)c2cc(Cl)ccc2F)[NH+]2CCCC2)cc1 ZINC000017911909 818532775 /nfs/dbraw/zinc/53/27/75/818532775.db2.gz JMHMGRJYDIVMQJ-IBGZPJMESA-N 1 0 376.859 4.055 20 0 GIADRO O=C(c1ccco1)N1CCC([NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000189028269 823344311 /nfs/dbraw/zinc/34/43/11/823344311.db2.gz WFKFLXOFOSHWIM-UHFFFAOYSA-N 1 0 386.801 4.346 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@@H]2CCN(Cc3ccc(F)cc3)C2=O)ccc1SC ZINC000189034276 823345231 /nfs/dbraw/zinc/34/52/31/823345231.db2.gz NZBMYGZOKQQGIG-KBXCAEBGSA-N 1 0 388.508 4.008 20 0 GIADRO C[C@H](NC(=O)N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000572466927 823345403 /nfs/dbraw/zinc/34/54/03/823345403.db2.gz WEJFAAGVCPAKIE-KJGCVMFHSA-N 1 0 383.458 4.029 20 0 GIADRO COc1ccccc1NC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000018182407 818554834 /nfs/dbraw/zinc/55/48/34/818554834.db2.gz ZENQJSDAFNOFOK-UHFFFAOYSA-N 1 0 375.472 4.198 20 0 GIADRO C[N@H+](CCCNC(=O)Cc1csc(-c2cccs2)n1)Cc1ccccc1 ZINC000018232725 818558886 /nfs/dbraw/zinc/55/88/86/818558886.db2.gz SFGDTRCWJNXJMO-UHFFFAOYSA-N 1 0 385.558 4.052 20 0 GIADRO COc1ccc2oc([C@H](C)[NH2+][C@H](C)CS(=O)(=O)c3ccccc3)c(C)c2c1 ZINC000122379067 823346306 /nfs/dbraw/zinc/34/63/06/823346306.db2.gz UUZVMYABCRBBIL-ZBFHGGJFSA-N 1 0 387.501 4.263 20 0 GIADRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1ccc(Cl)nc1Cl ZINC000122379563 823346717 /nfs/dbraw/zinc/34/67/17/823346717.db2.gz DVLLDBRANBHMMP-ZBFHGGJFSA-N 1 0 376.287 4.145 20 0 GIADRO CCc1ccccc1NC(=S)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000018924578 818581033 /nfs/dbraw/zinc/58/10/33/818581033.db2.gz FZSCHEFYUWWLLQ-OAQYLSRUSA-N 1 0 383.561 4.381 20 0 GIADRO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1cc(Cl)ccc1OC)c1ccc(OC)cc1 ZINC000019625675 818596435 /nfs/dbraw/zinc/59/64/35/818596435.db2.gz QZKNSIQZVHFHCY-CXAGYDPISA-N 1 0 376.884 4.425 20 0 GIADRO C[C@@H](NC(=O)C[N@H+](C)[C@@H](C)c1ccccc1)c1ccc(Br)cc1 ZINC000020814473 818631852 /nfs/dbraw/zinc/63/18/52/818631852.db2.gz FYZWFVUKKNNXIM-CABCVRRESA-N 1 0 375.310 4.319 20 0 GIADRO O=C1c2ccccc2C(=O)N1CCC[N@H+](Cc1ccco1)Cc1cccs1 ZINC000020946473 818642528 /nfs/dbraw/zinc/64/25/28/818642528.db2.gz MQUFHRAPBDHOID-UHFFFAOYSA-N 1 0 380.469 4.030 20 0 GIADRO O=C(Nc1cccc(CNC2CC[NH+](CCc3ccccc3)CC2)c1)C1CCC1 ZINC000122436981 823353812 /nfs/dbraw/zinc/35/38/12/823353812.db2.gz WLOBTGJRJKDXCZ-UHFFFAOYSA-N 1 0 391.559 4.222 20 0 GIADRO COCCOc1ccc([C@H](C)[NH2+]Cc2cccc(NC(=O)C3CCC3)c2)cc1 ZINC000122439264 823354475 /nfs/dbraw/zinc/35/44/75/823354475.db2.gz YNNBMSRFHITADN-KRWDZBQOSA-N 1 0 382.504 4.301 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)Nc2ccccc2-n2cccn2)CC[N@@H+]1Cc1ccccc1 ZINC000177016222 823349933 /nfs/dbraw/zinc/34/99/33/823349933.db2.gz YNICJGSFOOYCRR-UYAOXDASSA-N 1 0 389.503 4.047 20 0 GIADRO FC(F)(F)c1csc([C@@H]2CCC[N@H+](CCCO[C@H]3CCCCO3)C2)n1 ZINC000572499780 823350078 /nfs/dbraw/zinc/35/00/78/823350078.db2.gz DFKIFNRXYIWMKK-HIFRSBDPSA-N 1 0 378.460 4.275 20 0 GIADRO C[C@H]([NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O)c1cccc(-c2ccncc2)c1 ZINC000189059493 823350296 /nfs/dbraw/zinc/35/02/96/823350296.db2.gz OFNPDSZGNFAXCI-SBUREZEXSA-N 1 0 389.474 4.339 20 0 GIADRO CN(C(=O)C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000572504496 823350801 /nfs/dbraw/zinc/35/08/01/823350801.db2.gz TZTNIDKTAALQAX-AKFKNWHVSA-N 1 0 396.506 4.017 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)c1cc(-c2ccncc2)on1 ZINC000122416408 823351122 /nfs/dbraw/zinc/35/11/22/823351122.db2.gz LSVXLJYPRMKZER-UHFFFAOYSA-N 1 0 390.487 4.043 20 0 GIADRO c1coc(Cn2c(COc3ccccc3)nnc2SCC[NH+]2CCCCC2)c1 ZINC000122450223 823356346 /nfs/dbraw/zinc/35/63/46/823356346.db2.gz IGVMVCWNZITKOO-UHFFFAOYSA-N 1 0 398.532 4.076 20 0 GIADRO CC(=O)Nc1ccc(Cl)c(NC(=O)NCC2CC[NH+](CCC(C)C)CC2)c1 ZINC000177038111 823356426 /nfs/dbraw/zinc/35/64/26/823356426.db2.gz RUFPFWKTEIHKRQ-UHFFFAOYSA-N 1 0 394.947 4.178 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(O)ccc1C(F)(F)F)c1ccsc1 ZINC000189091573 823356477 /nfs/dbraw/zinc/35/64/77/823356477.db2.gz LMMYZWWDHLCZHY-INIZCTEOSA-N 1 0 386.439 4.285 20 0 GIADRO CC[C@H](NC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1c(C)noc1C ZINC000122453139 823356732 /nfs/dbraw/zinc/35/67/32/823356732.db2.gz UORUIKAFTWHFBF-KKSFZXQISA-N 1 0 398.551 4.474 20 0 GIADRO Fc1ccccc1-c1noc(C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)n1 ZINC000189096842 823357131 /nfs/dbraw/zinc/35/71/31/823357131.db2.gz JOMUDBQYXKYAOT-AWEZNQCLSA-N 1 0 378.407 4.397 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2csc(-c3ccc(Cl)s3)n2)[C@H](C)C1 ZINC000122459165 823357380 /nfs/dbraw/zinc/35/73/80/823357380.db2.gz ZJOCPVMXVFEVRH-TZMCWYRMSA-N 1 0 397.997 4.256 20 0 GIADRO O[C@@H](C[C@H]1CCC[N@@H+]1Cc1nc(-c2ccccc2F)no1)c1ccc(F)cc1 ZINC000189126518 823361168 /nfs/dbraw/zinc/36/11/68/823361168.db2.gz GFZKMUBBHYZDLH-APWZRJJASA-N 1 0 385.414 4.103 20 0 GIADRO CS[C@H]1CN(Cc2cc(-c3ccc(Cl)cc3)no2)C[C@H]1[NH+]1CCCC1 ZINC000460350925 823361146 /nfs/dbraw/zinc/36/11/46/823361146.db2.gz YCRFNJQMVSFYIX-MOPGFXCFSA-N 1 0 377.941 4.007 20 0 GIADRO CCCC[C@@H]1CCC[C@H]1[NH2+]Cc1nnc(C(=O)NCc2ccc(F)cc2)s1 ZINC000460351872 823361194 /nfs/dbraw/zinc/36/11/94/823361194.db2.gz ZQRXZQVJBKCNIL-NVXWUHKLSA-N 1 0 390.528 4.056 20 0 GIADRO CC(C)C(=O)c1ccc([C@H](C)C(=O)N(CC[NH+](C)C)Cc2ccccc2F)cc1 ZINC000572544570 823358146 /nfs/dbraw/zinc/35/81/46/823358146.db2.gz IXDVNPFGUSWHSD-SFHVURJKSA-N 1 0 398.522 4.358 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)N2C[C@@H](C)CN(C)c3ccccc32)cc1)C1CC1 ZINC000460340549 823358377 /nfs/dbraw/zinc/35/83/77/823358377.db2.gz UIHQTDNIOBDYPQ-SFHVURJKSA-N 1 0 377.532 4.404 20 0 GIADRO CC[C@H](C)CN(C)c1ccc(F)cc1C[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000572548691 823358765 /nfs/dbraw/zinc/35/87/65/823358765.db2.gz JFPJSMNDMXISBF-LAUBAEHRSA-N 1 0 378.532 4.078 20 0 GIADRO CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@@H](Cc1ccc(C)cc1)c1ccccn1 ZINC000460343332 823358947 /nfs/dbraw/zinc/35/89/47/823358947.db2.gz ZEWUFPCQORYGRW-UGKGYDQZSA-N 1 0 382.552 4.093 20 0 GIADRO C[C@H]1CN(C)c2ccccc2N(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000460342972 823359004 /nfs/dbraw/zinc/35/90/04/823359004.db2.gz KBWOPNMJFGJWNI-IBGZPJMESA-N 1 0 377.532 4.405 20 0 GIADRO CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@H](Cc1ccc(C)cc1)c1ccccn1 ZINC000460343331 823359009 /nfs/dbraw/zinc/35/90/09/823359009.db2.gz ZEWUFPCQORYGRW-SIKLNZKXSA-N 1 0 382.552 4.093 20 0 GIADRO COCCOc1ccc(NC(=O)NCC2([NH+]3CCCCC3)CCCCC2)cc1 ZINC000058068367 823359160 /nfs/dbraw/zinc/35/91/60/823359160.db2.gz WNZDEFBSTHDHHF-UHFFFAOYSA-N 1 0 389.540 4.022 20 0 GIADRO Nc1ccc(F)c(NC(=O)CC[N@H+](Cc2c(F)cccc2F)C2CCCC2)c1 ZINC000177049306 823359307 /nfs/dbraw/zinc/35/93/07/823359307.db2.gz GWUHBANHVCRMNZ-UHFFFAOYSA-N 1 0 391.437 4.460 20 0 GIADRO COc1ccc(NC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1OC1CCCC1 ZINC000058091766 823361485 /nfs/dbraw/zinc/36/14/85/823361485.db2.gz JURWZKCDDSEROT-FQEVSTJZSA-N 1 0 397.519 4.441 20 0 GIADRO Brc1ccc(/C=C\CC[NH+]2CCN(c3nccs3)CC2)cc1 ZINC000572558896 823360855 /nfs/dbraw/zinc/36/08/55/823360855.db2.gz RSFZHGDJAZUCMS-IWQZZHSRSA-N 1 0 378.339 4.131 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)[C@H](C)C1 ZINC000122482382 823360911 /nfs/dbraw/zinc/36/09/11/823360911.db2.gz XVICQOGRMRVGJH-DYESRHJHSA-N 1 0 394.519 4.133 20 0 GIADRO CC(C)COc1ccc(C(C)(C)[NH2+]CCC(=O)Nc2cc(N)ccc2F)cc1 ZINC000177064130 823362475 /nfs/dbraw/zinc/36/24/75/823362475.db2.gz MZXSYRWTJRVFLG-UHFFFAOYSA-N 1 0 387.499 4.296 20 0 GIADRO COc1ccc([C@H](C)[NH2+]Cc2cccc(NC(=O)C3CCC3)c2)cc1NC(C)=O ZINC000122491814 823362706 /nfs/dbraw/zinc/36/27/06/823362706.db2.gz UDBKZQRDUNNKFF-HNNXBMFYSA-N 1 0 395.503 4.243 20 0 GIADRO Cc1cccc2[nH]c(CCC(=O)NC[C@@H]3CCC[N@@H+](C)[C@@H]3c3cccs3)nc21 ZINC000177065523 823363105 /nfs/dbraw/zinc/36/31/05/823363105.db2.gz LMVPNUHISGKMNF-AOMKIAJQSA-N 1 0 396.560 4.065 20 0 GIADRO Cc1ccc(Cl)cc1NC(=O)CNC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000460361347 823363731 /nfs/dbraw/zinc/36/37/31/823363731.db2.gz HBPALQNLVKEFQN-QZTJIDSGSA-N 1 0 399.966 4.333 20 0 GIADRO Cc1nc(Cc2ccc(F)cc2)sc1C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000409988614 823363859 /nfs/dbraw/zinc/36/38/59/823363859.db2.gz XAVXVIRILZXJST-QGZVFWFLSA-N 1 0 389.540 4.032 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cc(C)n(-c2cc(C)on2)c1C ZINC000022373339 818798718 /nfs/dbraw/zinc/79/87/18/818798718.db2.gz GTABKCYYRSBKQN-UHFFFAOYSA-N 1 0 394.519 4.162 20 0 GIADRO COc1ccc(NC(=O)c2nnc(C[NH2+][C@@H]3CCCC[C@@H]3C(C)C)s2)cc1 ZINC000460364007 823364397 /nfs/dbraw/zinc/36/43/97/823364397.db2.gz QLSKESWXDLQZFW-IAGOWNOFSA-N 1 0 388.537 4.103 20 0 GIADRO CC1(C)CN(C(=O)NCCCCC[NH+]2CCCCC2)CC[C@H]1C(F)(F)F ZINC000189147423 823364785 /nfs/dbraw/zinc/36/47/85/823364785.db2.gz GSIVCTPWFDNDGI-MRXNPFEDSA-N 1 0 377.495 4.263 20 0 GIADRO C[NH+](C)CCCOC1CCN(C(=O)c2ccccc2Nc2ccccc2)CC1 ZINC000177084953 823367272 /nfs/dbraw/zinc/36/72/72/823367272.db2.gz KKWJVMDQZULKDL-UHFFFAOYSA-N 1 0 381.520 4.003 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N(C)CCC2CCOCC2)cc1 ZINC000122509234 823364915 /nfs/dbraw/zinc/36/49/15/823364915.db2.gz GPNZAMSTZWBMOI-LJQANCHMSA-N 1 0 387.568 4.019 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(C)(C)COCc1ccccc1 ZINC000409992570 823365152 /nfs/dbraw/zinc/36/51/52/823365152.db2.gz LJPDRYHJKYRNIZ-NFBKMPQASA-N 1 0 394.559 4.256 20 0 GIADRO COc1ccc(O[C@@H](C)C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000409994110 823365733 /nfs/dbraw/zinc/36/57/33/823365733.db2.gz RGZFIJFENJEEHX-IBGZPJMESA-N 1 0 396.531 4.155 20 0 GIADRO C=CCNC(=S)C(C(=O)c1ccc2c(c1)CCC2)[n+]1ccc(CCC)cc1 ZINC000022687856 818844316 /nfs/dbraw/zinc/84/43/16/818844316.db2.gz VUQLDQFOVURGJQ-UHFFFAOYSA-O 1 0 379.549 4.130 20 0 GIADRO C[C@H](NC(=O)C[N@H+](C)[C@@H]1CCc2ccccc21)c1ccc(Br)cc1 ZINC000022761298 818856968 /nfs/dbraw/zinc/85/69/68/818856968.db2.gz DRLMJXJBASUGSQ-IFXJQAMLSA-N 1 0 387.321 4.246 20 0 GIADRO CCC[NH2+]Cc1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)c(OC)c1 ZINC000022771531 818858713 /nfs/dbraw/zinc/85/87/13/818858713.db2.gz UWWHQMSASDYDJL-UHFFFAOYSA-N 1 0 396.409 4.231 20 0 GIADRO CCOc1ccc(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)cc1OC ZINC000410003894 823368905 /nfs/dbraw/zinc/36/89/05/823368905.db2.gz NZXHJIGSEPADPX-UHFFFAOYSA-N 1 0 396.531 4.400 20 0 GIADRO COc1ccc([C@H]([NH2+]Cc2cc3c(c(OC)c2)OCO3)c2ccccc2)cc1 ZINC000022790859 818861231 /nfs/dbraw/zinc/86/12/31/818861231.db2.gz QREMABJANKAOCJ-JOCHJYFZSA-N 1 0 377.440 4.312 20 0 GIADRO C[C@@H]1CN(C(C)(C)C[NH2+]Cc2csc(-c3ccc(Cl)cc3)n2)C[C@H](C)O1 ZINC000022819420 818864068 /nfs/dbraw/zinc/86/40/68/818864068.db2.gz HTERLZWQKOEHPF-GASCZTMLSA-N 1 0 393.984 4.441 20 0 GIADRO CC(C)(CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000058216895 823369524 /nfs/dbraw/zinc/36/95/24/823369524.db2.gz HUJOKMOJCWWCTA-SFHVURJKSA-N 1 0 389.927 4.347 20 0 GIADRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)cn1 ZINC000572642216 823373273 /nfs/dbraw/zinc/37/32/73/823373273.db2.gz UIQVRQMYNVTUCF-JOCHJYFZSA-N 1 0 378.564 4.215 20 0 GIADRO CC1CC[NH+](CCc2cccc(NC(=O)c3cc4ccccc4c(=O)o3)c2)CC1 ZINC000410010546 823370633 /nfs/dbraw/zinc/37/06/33/823370633.db2.gz JOELRSHSCIULKG-UHFFFAOYSA-N 1 0 390.483 4.320 20 0 GIADRO CC(C)CNC(=O)c1cccc(C[NH+]2CCC(Nc3ccc(F)cc3)CC2)c1 ZINC000572622994 823370735 /nfs/dbraw/zinc/37/07/35/823370735.db2.gz KUJXUBPMNLZYHU-UHFFFAOYSA-N 1 0 383.511 4.288 20 0 GIADRO Cc1cc(C)c2c(c1)[C@H]([NH2+][C@@H]1CCCN(C(=O)CCC(F)(F)F)C1)CCCO2 ZINC000572624715 823370830 /nfs/dbraw/zinc/37/08/30/823370830.db2.gz YCWSBXWHAIZXGK-SJLPKXTDSA-N 1 0 398.469 4.440 20 0 GIADRO CCOCc1cc(C[N@@H+]2CCCN(c3ccc(F)c(F)c3)CC2)ccc1OC ZINC000572624858 823371011 /nfs/dbraw/zinc/37/10/11/823371011.db2.gz JNSATVTYSXRKFL-UHFFFAOYSA-N 1 0 390.474 4.222 20 0 GIADRO COc1ccccc1CCC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000058248566 823371296 /nfs/dbraw/zinc/37/12/96/823371296.db2.gz YTXOWMXXVLXYBG-UHFFFAOYSA-N 1 0 386.923 4.062 20 0 GIADRO CC(C)c1c(C(=O)NCC[NH+](C(C)C)C(C)C)cnn1-c1cccc(Cl)c1 ZINC000023108531 818898647 /nfs/dbraw/zinc/89/86/47/818898647.db2.gz YGHASOUHJBXNSU-UHFFFAOYSA-N 1 0 390.959 4.498 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(C)c(Cl)c2)c(C)c1OC ZINC000572629219 823371636 /nfs/dbraw/zinc/37/16/36/823371636.db2.gz LTHGAGQTGBCDOW-AWEZNQCLSA-N 1 0 376.884 4.263 20 0 GIADRO CC[NH+](CC)CCOc1ccc(CNC(=O)c2cc(-c3cccs3)on2)cc1 ZINC000058259072 823372368 /nfs/dbraw/zinc/37/23/68/823372368.db2.gz GZSUYFRSIIRMHI-UHFFFAOYSA-N 1 0 399.516 4.054 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000023229009 818914726 /nfs/dbraw/zinc/91/47/26/818914726.db2.gz CCLOTESZNLWWKT-UHFFFAOYSA-N 1 0 392.330 4.317 20 0 GIADRO O=C(Nc1ccccc1C(=O)N1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000058268976 823372839 /nfs/dbraw/zinc/37/28/39/823372839.db2.gz CPRBNFYOKVKEEC-UHFFFAOYSA-N 1 0 391.515 4.029 20 0 GIADRO Cc1cc(C(=O)N2CCC(OCCC[NH+](C)C)CC2)c(C)n1C1CCCCC1 ZINC000177106188 823372882 /nfs/dbraw/zinc/37/28/82/823372882.db2.gz IIWCQLWKIGPRCD-UHFFFAOYSA-N 1 0 389.584 4.183 20 0 GIADRO O=C(c1cccc(OCc2ccc(Cl)cc2)c1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000572638785 823372975 /nfs/dbraw/zinc/37/29/75/823372975.db2.gz BFFZPPCSFPZHJJ-QFIPXVFZSA-N 1 0 384.907 4.135 20 0 GIADRO CC[N@@H+]1CCC[C@H](CNC(=O)c2c(C)onc2-c2c(Cl)cccc2Cl)C1 ZINC000058275407 823373942 /nfs/dbraw/zinc/37/39/42/823373942.db2.gz QFELDMZPGZMPKI-CYBMUJFWSA-N 1 0 396.318 4.419 20 0 GIADRO CCCCOc1c(Cl)cc(C(=O)NC[C@H]2CCC[N@H+](CC)C2)cc1OCC ZINC000058276284 823374181 /nfs/dbraw/zinc/37/41/81/823374181.db2.gz LHDWTGWGFOTVSZ-MRXNPFEDSA-N 1 0 396.959 4.379 20 0 GIADRO COc1ccc(C[C@@H](C)[NH2+][C@H](C)c2nc(Cc3ccccc3)no2)c(C)c1OC ZINC000572646798 823374826 /nfs/dbraw/zinc/37/48/26/823374826.db2.gz LEGRRFSAKSBMRV-NVXWUHKLSA-N 1 0 395.503 4.268 20 0 GIADRO COc1ccc(C[C@@H](C)[NH2+][C@@H](C)c2nc(Cc3ccccc3)no2)c(C)c1OC ZINC000572646800 823375088 /nfs/dbraw/zinc/37/50/88/823375088.db2.gz LEGRRFSAKSBMRV-WBVHZDCISA-N 1 0 395.503 4.268 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccccc1NC(=O)c1ccsc1 ZINC000058296123 823375898 /nfs/dbraw/zinc/37/58/98/823375898.db2.gz AVQMWVMFNVGZGZ-KRWDZBQOSA-N 1 0 399.560 4.385 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)CCc1cc2ccccc2o1)[NH+]1CCCC1 ZINC000023538521 818957336 /nfs/dbraw/zinc/95/73/36/818957336.db2.gz NPQWPKIXNFQXMJ-OAQYLSRUSA-N 1 0 392.499 4.327 20 0 GIADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCc1ccc(-c2cccnc2)cc1 ZINC000460398704 823376455 /nfs/dbraw/zinc/37/64/55/823376455.db2.gz GRKXBOOYZWYMNN-LJQANCHMSA-N 1 0 388.515 4.068 20 0 GIADRO Cc1cc2oc(=O)cc(CN3CCC[N@H+](Cc4ccccc4)CC3)c2cc1C ZINC000023630380 818967792 /nfs/dbraw/zinc/96/77/92/818967792.db2.gz JOGRCGYHXNEOHS-UHFFFAOYSA-N 1 0 376.500 4.118 20 0 GIADRO CC(=O)CCc1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccc3c(c2)CCCC3)cc1 ZINC000023677173 818972458 /nfs/dbraw/zinc/97/24/58/818972458.db2.gz VIPIJZFOBNKNJR-YADARESESA-N 1 0 395.543 4.178 20 0 GIADRO Cc1ccccc1[C@@H](NC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C)C(C)(C)C ZINC000177124692 823377353 /nfs/dbraw/zinc/37/73/53/823377353.db2.gz UQPLGMQKFRORKO-HXUWFJFHSA-N 1 0 396.535 4.064 20 0 GIADRO COc1ccc([C@H](Cc2ccccc2C)[NH2+]Cc2cnc(C)n2C)cc1OC ZINC000572663330 823378072 /nfs/dbraw/zinc/37/80/72/823378072.db2.gz LMQFRSNYAWPNHK-NRFANRHFSA-N 1 0 379.504 4.128 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)c2ccccc2OCc2ccc(F)cc2)cc1 ZINC000023962390 818998714 /nfs/dbraw/zinc/99/87/14/818998714.db2.gz SMOQQJOSGVVIMC-UHFFFAOYSA-N 1 0 392.474 4.396 20 0 GIADRO COc1cc(C[NH2+][C@@H](c2ccc(C(C)(C)C)cc2)C(C)C)ccc1OCC(N)=O ZINC000024083876 819021183 /nfs/dbraw/zinc/02/11/83/819021183.db2.gz NBVPFRSTPJTIAC-HSZRJFAPSA-N 1 0 398.547 4.344 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1ccc(-n2cnc3ccccc32)cc1)c1cccs1 ZINC000024094425 819022747 /nfs/dbraw/zinc/02/27/47/819022747.db2.gz RGFSZHBRHMMSHE-HXUWFJFHSA-N 1 0 390.512 4.120 20 0 GIADRO O=C(CCC(=O)c1ccc2c(c1)CCC2)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000024116093 819026305 /nfs/dbraw/zinc/02/63/05/819026305.db2.gz SFKFUTZZFLRNGM-UHFFFAOYSA-N 1 0 390.527 4.050 20 0 GIADRO O=C(CCc1nc2ccccc2o1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000024182317 819030633 /nfs/dbraw/zinc/03/06/33/819030633.db2.gz DVRAMIBGCCMDJN-UHFFFAOYSA-N 1 0 377.488 4.063 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1cccc(-n2cccn2)c1 ZINC000572677685 823380915 /nfs/dbraw/zinc/38/09/15/823380915.db2.gz UQMSTTHAIDYKRN-LJQANCHMSA-N 1 0 388.515 4.177 20 0 GIADRO Cc1ccccc1[C@]1(F)CCN(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000410053359 823381089 /nfs/dbraw/zinc/38/10/89/823381089.db2.gz FNWZNUMXMFPZPU-DEOSSOPVSA-N 1 0 395.522 4.240 20 0 GIADRO CC[C@@H]([NH2+]CC(=O)NCc1ccc(OC(F)F)cc1)c1ccc(Cl)cc1 ZINC000024255564 819039604 /nfs/dbraw/zinc/03/96/04/819039604.db2.gz AUWNMZFKFRVMRE-QGZVFWFLSA-N 1 0 382.838 4.299 20 0 GIADRO COCCCOc1cccc(NC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000177145564 823382332 /nfs/dbraw/zinc/38/23/32/823382332.db2.gz XWOGSDJEGWCAHY-JOCHJYFZSA-N 1 0 397.519 4.061 20 0 GIADRO O=C(CC(F)(F)F)NC[C@H]1CCC[N@H+](Cc2ccccc2OC2CCCC2)C1 ZINC000572683290 823382384 /nfs/dbraw/zinc/38/23/84/823382384.db2.gz ORSPUPHTEAWTQU-MRXNPFEDSA-N 1 0 398.469 4.289 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)Cc1nc(-c2cccs2)oc1C ZINC000024486849 819063187 /nfs/dbraw/zinc/06/31/87/819063187.db2.gz YZZRZOSKXJGDOD-UHFFFAOYSA-N 1 0 397.544 4.412 20 0 GIADRO CC[C@@H]([NH2+]Cc1ccc2nc(C)ccc2c1)c1ccccc1OCC(=O)N(C)C ZINC000189263868 823383171 /nfs/dbraw/zinc/38/31/71/823383171.db2.gz UFYWKBBLMJTMMH-OAQYLSRUSA-N 1 0 391.515 4.251 20 0 GIADRO CCCOc1ccc(C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)c(C)c1 ZINC000189271133 823384320 /nfs/dbraw/zinc/38/43/20/823384320.db2.gz LJPRLQAXQZUKNH-HNNXBMFYSA-N 1 0 379.497 4.177 20 0 GIADRO COc1ccc([C@@H](CNC(=O)c2cccc3c(C)c(C)[nH]c32)[NH+]2CCCC2)cc1 ZINC000024538544 819067752 /nfs/dbraw/zinc/06/77/52/819067752.db2.gz XATRDRCGQHDQQV-JOCHJYFZSA-N 1 0 391.515 4.360 20 0 GIADRO CCc1noc(-c2ccc(C)c(NC(=O)NCCCC[N@@H+]3CCC[C@@H](C)C3)c2)n1 ZINC000177150585 823383738 /nfs/dbraw/zinc/38/37/38/823383738.db2.gz NMHZQOGADAZJKN-MRXNPFEDSA-N 1 0 399.539 4.241 20 0 GIADRO Cc1nc2cc(C(=O)N(C)[C@H]3CC[N@H+](C)[C@H](C)C3)ccc2n1Cc1ccsc1 ZINC000410070505 823383724 /nfs/dbraw/zinc/38/37/24/823383724.db2.gz YERYESFXCMWLIU-BEFAXECRSA-N 1 0 396.560 4.009 20 0 GIADRO CC(C)[C@H](C[NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1)c1cccnc1 ZINC000189278777 823385595 /nfs/dbraw/zinc/38/55/95/823385595.db2.gz LONSWRQHSYYUEO-AJTFCVKESA-N 1 0 391.515 4.018 20 0 GIADRO COc1ccccc1OC[C@H](C)C[NH2+]Cc1ccc(C)cc1-c1ccnn1C ZINC000572702678 823385617 /nfs/dbraw/zinc/38/56/17/823385617.db2.gz SCMLAPLTYHYKFV-GOSISDBHSA-N 1 0 379.504 4.209 20 0 GIADRO CC(=O)c1ccccc1OCC[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000177156629 823386200 /nfs/dbraw/zinc/38/62/00/823386200.db2.gz WXNVOAXBVHXFAS-OAQYLSRUSA-N 1 0 379.456 4.097 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2ccccc2SCC#N)CC1 ZINC000058399885 823386146 /nfs/dbraw/zinc/38/61/46/823386146.db2.gz PNYDRGSSMXISRW-UHFFFAOYSA-N 1 0 379.529 4.005 20 0 GIADRO C[C@H]([NH2+]Cc1cc2ccccc2[nH]c1=O)[C@H](OC1CCOCC1)c1ccccc1 ZINC000122644231 823386742 /nfs/dbraw/zinc/38/67/42/823386742.db2.gz BGOYCQVCLCQOPE-SBUREZEXSA-N 1 0 392.499 4.355 20 0 GIADRO COc1cc(C[NH2+][C@@H](C)[C@H](OC2CCOCC2)c2ccccc2)cc(OC)c1 ZINC000122650156 823387887 /nfs/dbraw/zinc/38/78/87/823387887.db2.gz OVDFHEKWWIRGPB-SBUREZEXSA-N 1 0 385.504 4.119 20 0 GIADRO COc1cc(C[NH2+][C@H](C)[C@@H](OC2CCOCC2)c2ccccc2)cc(OC)c1 ZINC000122650819 823388130 /nfs/dbraw/zinc/38/81/30/823388130.db2.gz OVDFHEKWWIRGPB-UZUQRXQVSA-N 1 0 385.504 4.119 20 0 GIADRO COc1cc(C[NH2+][C@@H](C)[C@@H](OC2CCOCC2)c2ccccc2)cc(OC)c1 ZINC000122650586 823388185 /nfs/dbraw/zinc/38/81/85/823388185.db2.gz OVDFHEKWWIRGPB-GAJHUEQPSA-N 1 0 385.504 4.119 20 0 GIADRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)Nc1cccc(OCCF)c1 ZINC000122675129 823392086 /nfs/dbraw/zinc/39/20/86/823392086.db2.gz FFPBYQBLPTXWRH-UHFFFAOYSA-N 1 0 391.512 4.130 20 0 GIADRO CC(=O)c1ccc(CC(=O)N[C@@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)cc1 ZINC000410103456 823392578 /nfs/dbraw/zinc/39/25/78/823392578.db2.gz PBBYWXCFZPWIFB-QHCPKHFHSA-N 1 0 392.543 4.021 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(N2CCCC2)nc1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000122678568 823392921 /nfs/dbraw/zinc/39/29/21/823392921.db2.gz LAJFSBNZMCRXLH-CYFREDJKSA-N 1 0 395.547 4.097 20 0 GIADRO COc1ccc2[nH]c(C(=O)NC3CC[NH+]([C@@H](C)c4ccccc4)CC3)cc2c1 ZINC000189298700 823389793 /nfs/dbraw/zinc/38/97/93/823389793.db2.gz BCSVJQNASCXYLI-INIZCTEOSA-N 1 0 377.488 4.132 20 0 GIADRO Cc1cccn2c(C[NH2+][C@@H](C)[C@H](OC3CCOCC3)c3ccccc3)cnc12 ZINC000122671217 823391395 /nfs/dbraw/zinc/39/13/95/823391395.db2.gz BLPVMSKYHGYFEA-AVRDEDQJSA-N 1 0 379.504 4.058 20 0 GIADRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1ccc(F)c(F)c1F ZINC000177185914 823394309 /nfs/dbraw/zinc/39/43/09/823394309.db2.gz LJZOFJQIPQLBKH-UHFFFAOYSA-N 1 0 380.435 4.213 20 0 GIADRO COC1(C(=O)N[C@@H]2CCCCC[C@@H]2c2ccccc2C(F)(F)F)CC[NH2+]CC1 ZINC000572764708 823394575 /nfs/dbraw/zinc/39/45/75/823394575.db2.gz HNKRVWPEVBXMLA-SJLPKXTDSA-N 1 0 398.469 4.007 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)CC[N@@H+]1C ZINC000122685868 823394578 /nfs/dbraw/zinc/39/45/78/823394578.db2.gz WBZNFSKEPZQQPS-OCCSQVGLSA-N 1 0 399.482 4.189 20 0 GIADRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)NCC1CCC(F)(F)CC1 ZINC000410110812 823394729 /nfs/dbraw/zinc/39/47/29/823394729.db2.gz WKBQOQNNNLJUQQ-UHFFFAOYSA-N 1 0 379.495 4.023 20 0 GIADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)CCc2ccccc2OC(F)(F)F)C1 ZINC000410116757 823395825 /nfs/dbraw/zinc/39/58/25/823395825.db2.gz COTRSRFHBFQVKZ-NUJGCVRESA-N 1 0 398.469 4.382 20 0 GIADRO CCS[C@H]1CC[C@@H](N(C)C(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000177198578 823397273 /nfs/dbraw/zinc/39/72/73/823397273.db2.gz JVCVDDGEPQYXMP-RTWAWAEBSA-N 1 0 389.609 4.009 20 0 GIADRO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000122702584 823397402 /nfs/dbraw/zinc/39/74/02/823397402.db2.gz NUWODQMLIFYHJP-CVEARBPZSA-N 1 0 391.508 4.128 20 0 GIADRO CC1(C)C(=O)N[C@H]1C1CC[NH+](CCCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000572778908 823397480 /nfs/dbraw/zinc/39/74/80/823397480.db2.gz YGLIYYOEDDQECU-SFHVURJKSA-N 1 0 398.469 4.101 20 0 GIADRO CC1=NN(c2ccc(C(=O)NCC3([NH+]4CCCCC4)CCCCC3)cc2)CC1 ZINC000058489434 823399070 /nfs/dbraw/zinc/39/90/70/823399070.db2.gz OIXYVFCLTZWCBD-UHFFFAOYSA-N 1 0 382.552 4.191 20 0 GIADRO CN(C(=O)c1ccncc1)c1ccc(C[NH2+]Cc2ccc(Cl)cc2F)cc1 ZINC000189349496 823399242 /nfs/dbraw/zinc/39/92/42/823399242.db2.gz FXIYRXIGWRSYDG-UHFFFAOYSA-N 1 0 383.854 4.441 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)CCC(=O)c2ccc3ccccc3c2)cc1 ZINC000058491701 823399352 /nfs/dbraw/zinc/39/93/52/823399352.db2.gz TUEIZRXYVTVBBT-UHFFFAOYSA-N 1 0 390.483 4.382 20 0 GIADRO c1c(C[NH2+][C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)c(-c2cccnc2)nn1-c1ccccc1 ZINC000572802452 823401784 /nfs/dbraw/zinc/40/17/84/823401784.db2.gz BMMRUNUTBVCRKF-GIFXNVAJSA-N 1 0 378.479 4.362 20 0 GIADRO C[NH+](C)CCOc1cccc(NC(=O)NCc2ccc(F)cc2C(F)(F)F)c1 ZINC000410152841 823403335 /nfs/dbraw/zinc/40/33/35/823403335.db2.gz ZXCDPXRHRZHKAC-UHFFFAOYSA-N 1 0 399.388 4.107 20 0 GIADRO Cc1cccc2c1OCC[C@H]2[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000189379018 823404138 /nfs/dbraw/zinc/40/41/38/823404138.db2.gz BHQLVAUQZNRNKR-LAUBAEHRSA-N 1 0 377.488 4.482 20 0 GIADRO C[N@@H+]1CC[C@@H](CNC(=O)Nc2cccnc2Oc2ccc(Cl)cc2Cl)C1 ZINC000572815189 823404537 /nfs/dbraw/zinc/40/45/37/823404537.db2.gz LATNBLQMOOHEPQ-LBPRGKRZSA-N 1 0 395.290 4.254 20 0 GIADRO COCCCOC1CC[NH+](CCC(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000122767825 823408588 /nfs/dbraw/zinc/40/85/88/823408588.db2.gz HMSCRUCYQMUHMJ-UHFFFAOYSA-N 1 0 396.531 4.200 20 0 GIADRO COc1cccc([C@@H](C)[NH2+]Cc2ccc(OCCOc3ccccc3)nc2)c1 ZINC000177230231 823405548 /nfs/dbraw/zinc/40/55/48/823405548.db2.gz XDJZAWBFLYWULL-GOSISDBHSA-N 1 0 378.472 4.399 20 0 GIADRO CCOc1ccc(OCC)c(NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000058533929 823405539 /nfs/dbraw/zinc/40/55/39/823405539.db2.gz OBGVLCTZXFJGDT-KRWDZBQOSA-N 1 0 377.529 4.260 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)NCc1ccc(F)cc1C(F)(F)F)c1ccsc1 ZINC000410158796 823405579 /nfs/dbraw/zinc/40/55/79/823405579.db2.gz SGQNWFUKWNWKLB-OAHLLOKOSA-N 1 0 389.418 4.008 20 0 GIADRO CSC1(CNC(=O)N[C@@H](c2ccccc2C)C(C)(C)C)CC[NH+](C)CC1 ZINC000460493525 823407437 /nfs/dbraw/zinc/40/74/37/823407437.db2.gz RVOMTDHLXVAERI-SFHVURJKSA-N 1 0 377.598 4.209 20 0 GIADRO CCC(CC)[C@H]1C[C@H]([NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)CCO1 ZINC000189393674 823407538 /nfs/dbraw/zinc/40/75/38/823407538.db2.gz BFNHMZNBRBBZDI-PJEKJXDBSA-N 1 0 398.547 4.167 20 0 GIADRO C[C@@H]([NH2+]Cc1cc(-c2ccccc2)n[nH]1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000122762275 823407908 /nfs/dbraw/zinc/40/79/08/823407908.db2.gz SPMVADXATJZUHZ-HOYKHHGWSA-N 1 0 391.515 4.492 20 0 GIADRO C[C@H](O)C[C@H](C[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1)c1ccccc1 ZINC000572841355 823408047 /nfs/dbraw/zinc/40/80/47/823408047.db2.gz RCSJKSQWFOXUKU-ZTCOLXNVSA-N 1 0 378.560 4.328 20 0 GIADRO FC(F)(F)c1cccc(N2CC[NH+](CCCCNc3ccccn3)CC2)c1 ZINC000058583093 823412581 /nfs/dbraw/zinc/41/25/81/823412581.db2.gz OUUMIQPKQSKHBW-UHFFFAOYSA-N 1 0 378.442 4.115 20 0 GIADRO CCc1ccc(C[C@@H](Cc2ccc(Cl)cc2)[NH2+]CCCN2CCCC2=O)nc1 ZINC000572879040 823412920 /nfs/dbraw/zinc/41/29/20/823412920.db2.gz NNLYWUXHAIBISM-JOCHJYFZSA-N 1 0 399.966 4.053 20 0 GIADRO COc1ccc(-c2ncc(C(=O)NC3CC[NH+](C4CCCCC4)CC3)s2)cc1 ZINC000177261316 823413085 /nfs/dbraw/zinc/41/30/85/823413085.db2.gz DERMZAXDQKHVHM-UHFFFAOYSA-N 1 0 399.560 4.346 20 0 GIADRO COc1ccc(C[N@H+](C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)c(C)c1OC ZINC000572886184 823413986 /nfs/dbraw/zinc/41/39/86/823413986.db2.gz CLTAQXOORASOHD-XMSQKQJNSA-N 1 0 382.548 4.497 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)NCc1cc2ccccc2[nH]1)c1cccc(OC)c1 ZINC000058558095 823409127 /nfs/dbraw/zinc/40/91/27/823409127.db2.gz WFKBMWOKIAEWMG-QFIPXVFZSA-N 1 0 394.519 4.059 20 0 GIADRO O=C(Nc1ccc(F)cc1OC(F)F)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000460503322 823410505 /nfs/dbraw/zinc/41/05/05/823410505.db2.gz KWGSFTOLJIAEJY-UHFFFAOYSA-N 1 0 396.434 4.228 20 0 GIADRO O=C(NCc1cc(F)cc(F)c1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000410173442 823410526 /nfs/dbraw/zinc/41/05/26/823410526.db2.gz KESIJLYHLNMCHI-UHFFFAOYSA-N 1 0 393.865 4.082 20 0 GIADRO CC(=O)NC1CCC([NH2+]Cc2ccc(Br)cc2SC(C)C)CC1 ZINC000572916113 823419047 /nfs/dbraw/zinc/41/90/47/823419047.db2.gz QQFLQLPXBHWXPI-UHFFFAOYSA-N 1 0 399.398 4.487 20 0 GIADRO CCN(Cc1ccccn1)C(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000177272448 823416751 /nfs/dbraw/zinc/41/67/51/823416751.db2.gz CJKYNSLYROSAPL-BGYRXZFFSA-N 1 0 394.563 4.291 20 0 GIADRO C[C@@H]([NH2+]Cc1cc(F)ccc1N1CCOCC1)c1cccc(Br)c1 ZINC000410204659 823419303 /nfs/dbraw/zinc/41/93/03/823419303.db2.gz FJFZHVVRFNWUPF-CQSZACIVSA-N 1 0 393.300 4.276 20 0 GIADRO Brc1cccc(C2([NH2+]Cc3ccc(-n4ccnc4)nc3)CCC2)c1 ZINC000177273743 823417333 /nfs/dbraw/zinc/41/73/33/823417333.db2.gz VJQWFZHQSXXRDJ-UHFFFAOYSA-N 1 0 383.293 4.199 20 0 GIADRO CC[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)s1)c1ccc(OC(F)(F)F)cc1 ZINC000572906898 823417400 /nfs/dbraw/zinc/41/74/00/823417400.db2.gz RIJLKCAMZAYTJT-CQSZACIVSA-N 1 0 393.452 4.291 20 0 GIADRO C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)Cc1cnn(Cc2ccccc2)c1 ZINC000572942851 823424618 /nfs/dbraw/zinc/42/46/18/823424618.db2.gz QYZGOBYDJMDGMM-UHFFFAOYSA-N 1 0 385.515 4.386 20 0 GIADRO COc1ccccc1SC[C@H](C)C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000177291940 823423435 /nfs/dbraw/zinc/42/34/35/823423435.db2.gz BYLJTSMHJYAPAM-MRXNPFEDSA-N 1 0 394.581 4.413 20 0 GIADRO Cc1ccc(Sc2ncccc2C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c(C)c1 ZINC000122858351 823424417 /nfs/dbraw/zinc/42/44/17/823424417.db2.gz XIZJNEFRNGAAER-QZTJIDSGSA-N 1 0 383.561 4.404 20 0 GIADRO CCOC(=O)C[N@H+](CCC(=O)Nc1c(Cl)cccc1Cl)C1CCCC1 ZINC000177295669 823424427 /nfs/dbraw/zinc/42/44/27/823424427.db2.gz OXBGSDRYMYXCEX-UHFFFAOYSA-N 1 0 387.307 4.130 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CC[C@H](c2ccccc2)[C@@H]1C ZINC000177283338 823420654 /nfs/dbraw/zinc/42/06/54/823420654.db2.gz GISQLYMCHPYEPG-UGKGYDQZSA-N 1 0 392.547 4.157 20 0 GIADRO COc1cccc(C2(F)CCN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)CC2)c1 ZINC000410227664 823426132 /nfs/dbraw/zinc/42/61/32/823426132.db2.gz BACKKGMNTCJCSO-GOSISDBHSA-N 1 0 388.527 4.137 20 0 GIADRO c1ccc(C[N@@H+]2CC[C@@H](Nc3cccc(N4CCOCC4)c3)CC23CC3)cc1 ZINC000572960506 823426881 /nfs/dbraw/zinc/42/68/81/823426881.db2.gz BWRIGBVVWZGOQZ-JOCHJYFZSA-N 1 0 377.532 4.132 20 0 GIADRO O=C(Nc1ccccc1)[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000122872043 823426854 /nfs/dbraw/zinc/42/68/54/823426854.db2.gz PNPAMOTUFFWKAL-KRWDZBQOSA-N 1 0 378.451 4.067 20 0 GIADRO O=C(c1ccc(SCc2ccccc2)cc1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000572958797 823426911 /nfs/dbraw/zinc/42/69/11/823426911.db2.gz LBXVXCDOKMKOCL-NHCUHLMSSA-N 1 0 380.557 4.441 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)c2cc(O)ccc2C(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000189483784 823427507 /nfs/dbraw/zinc/42/75/07/823427507.db2.gz REDGULXCQNZUBT-ZBFHGGJFSA-N 1 0 392.421 4.194 20 0 GIADRO Cc1cc(Cl)ccc1O[C@H](C)C(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000122877848 823427749 /nfs/dbraw/zinc/42/77/49/823427749.db2.gz ADLKDWFDWBJUFR-MRXNPFEDSA-N 1 0 390.911 4.132 20 0 GIADRO Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000572975372 823428541 /nfs/dbraw/zinc/42/85/41/823428541.db2.gz HDFGZCFBXHZROY-XUVXKRRUSA-N 1 0 383.561 4.028 20 0 GIADRO C[C@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)c1ccc(OC(F)F)cc1 ZINC000177326396 823434508 /nfs/dbraw/zinc/43/45/08/823434508.db2.gz PEACXWAPZBRXSB-HNNXBMFYSA-N 1 0 395.494 4.445 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cnn(-c4ccccc4F)c3)cc2)C1 ZINC000058686764 823430941 /nfs/dbraw/zinc/43/09/41/823430941.db2.gz BCTWBWRKNCWECT-QGZVFWFLSA-N 1 0 392.478 4.496 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(N2CCOCC2)c1)c1cc(Br)ccc1F ZINC000572991121 823431093 /nfs/dbraw/zinc/43/10/93/823431093.db2.gz VZHCGAXAHXUDRJ-AWEZNQCLSA-N 1 0 393.300 4.276 20 0 GIADRO C/C=C/c1ccc(OC[C@H](O)CNc2ccc3c(c2)CC[C@@H]3[NH+](C)C)c(OC)c1 ZINC000572993840 823431107 /nfs/dbraw/zinc/43/11/07/823431107.db2.gz ZEINXDYXHFRZRN-PGOAABDTSA-N 1 0 396.531 4.129 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(N2CCOCC2)c1)c1cc(Br)ccc1F ZINC000572991122 823431192 /nfs/dbraw/zinc/43/11/92/823431192.db2.gz VZHCGAXAHXUDRJ-CQSZACIVSA-N 1 0 393.300 4.276 20 0 GIADRO COc1ccccc1-c1nc(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)cs1 ZINC000058688116 823431504 /nfs/dbraw/zinc/43/15/04/823431504.db2.gz RJOWUHRREIOBFL-UHFFFAOYSA-N 1 0 397.500 4.011 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)Nc2ccc(OC(C)C)c(C)c2)cc1 ZINC000189498730 823431755 /nfs/dbraw/zinc/43/17/55/823431755.db2.gz BCSBLNFOMMMNMH-UHFFFAOYSA-N 1 0 397.519 4.201 20 0 GIADRO Cc1c(C(=O)NCCC[N@@H+](C)Cc2ccccc2)cnn1-c1cccc(Cl)c1 ZINC000024626441 819856419 /nfs/dbraw/zinc/85/64/19/819856419.db2.gz XRUQWSSMMWNZEU-UHFFFAOYSA-N 1 0 396.922 4.086 20 0 GIADRO C[C@H](C(=O)NCc1ccccc1Cl)[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000024667798 819862544 /nfs/dbraw/zinc/86/25/44/819862544.db2.gz JVFYPYRZUWUCLF-NVXWUHKLSA-N 1 0 397.906 4.366 20 0 GIADRO C[NH+]1CCC(NC(=O)c2cccc(Oc3ccc(Cl)c(Cl)c3)n2)CC1 ZINC000122919130 823433981 /nfs/dbraw/zinc/43/39/81/823433981.db2.gz BMHMVWYVVBGHDO-UHFFFAOYSA-N 1 0 380.275 4.005 20 0 GIADRO C[C@@H]([NH2+]CC1(N2CCCCC2)CCOCC1)c1ccc(Br)cc1 ZINC000177325315 823434151 /nfs/dbraw/zinc/43/41/51/823434151.db2.gz GPXQGQLIIVOARC-MRXNPFEDSA-N 1 0 381.358 4.135 20 0 GIADRO Cc1cc(C[NH2+]CCC(=O)Nc2ccc(Br)cc2C)cc(C)c1O ZINC000573028838 823436600 /nfs/dbraw/zinc/43/66/00/823436600.db2.gz ZDWMHWHJVUNEAZ-UHFFFAOYSA-N 1 0 391.309 4.198 20 0 GIADRO Cc1ccc(-n2cc(C[N@@H+]3C[C@@H]4CC[C@@H](O)[C@@H]4C3)c(-c3ccc(F)cc3)n2)cc1 ZINC000573030146 823436722 /nfs/dbraw/zinc/43/67/22/823436722.db2.gz GAGUVLSZDAKZRZ-CDNPAEQRSA-N 1 0 391.490 4.190 20 0 GIADRO CCN(CCC[NH+]1CCCC1)C(=O)Nc1ccc(C)cc1OCC(F)(F)F ZINC000189524154 823437144 /nfs/dbraw/zinc/43/71/44/823437144.db2.gz LENQBUFPJNHBSY-UHFFFAOYSA-N 1 0 387.446 4.276 20 0 GIADRO O=C(NCC[NH2+]Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccco1 ZINC000025052747 819915860 /nfs/dbraw/zinc/91/58/60/819915860.db2.gz NTRUXXHKVGMNEG-UHFFFAOYSA-N 1 0 379.243 4.366 20 0 GIADRO CCc1ccc(C(=O)Nc2sccc2C(=O)N(C)CC2([NH+](C)C)CCC2)cc1 ZINC000189527651 823437955 /nfs/dbraw/zinc/43/79/55/823437955.db2.gz UBBVDKQEUWKTDL-UHFFFAOYSA-N 1 0 399.560 4.119 20 0 GIADRO CC[C@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(Cl)s1 ZINC000177339176 823439495 /nfs/dbraw/zinc/43/94/95/823439495.db2.gz ZCNXQHJYUPHHGB-DOMZBBRYSA-N 1 0 386.970 4.454 20 0 GIADRO O=C(NC1CC1)c1ccc(C[N@@H+](CCOc2ccc(Cl)cc2)C2CC2)cc1 ZINC000025183032 819939911 /nfs/dbraw/zinc/93/99/11/819939911.db2.gz GEVBXQRDOHSEQG-UHFFFAOYSA-N 1 0 384.907 4.276 20 0 GIADRO CCC[N@H+](CC(=O)Nc1c(C)nn(-c2ccccc2)c1C)Cc1ccccc1 ZINC000025220431 819944986 /nfs/dbraw/zinc/94/49/86/819944986.db2.gz AHCAACDDVBAUNP-UHFFFAOYSA-N 1 0 376.504 4.340 20 0 GIADRO CC[N@@H+](Cc1ccc(OC)c(OC)c1)C[C@@H](O)COc1ccc2ccccc2c1 ZINC000025234625 819947859 /nfs/dbraw/zinc/94/78/59/819947859.db2.gz MXBSMZASCMIQEE-OAQYLSRUSA-N 1 0 395.499 4.119 20 0 GIADRO O=C(NCc1ccco1)c1cccc(C[NH2+]C2CCC(C(F)(F)F)CC2)c1 ZINC000122961381 823440212 /nfs/dbraw/zinc/44/02/12/823440212.db2.gz AHFSYUNIAJMUNA-UHFFFAOYSA-N 1 0 380.410 4.420 20 0 GIADRO COc1cccc([C@H]2[C@@H](NC(=O)Nc3cccc4[nH]ccc43)CC[N@@H+]2C2CC2)c1 ZINC000189546264 823441221 /nfs/dbraw/zinc/44/12/21/823441221.db2.gz IKEMCBFKBVNPSS-VXKWHMMOSA-N 1 0 390.487 4.276 20 0 GIADRO COc1cccc([C@@H]2[C@H](NC(=O)Nc3cccc4[nH]ccc43)CC[N@@H+]2C2CC2)c1 ZINC000189546197 823441292 /nfs/dbraw/zinc/44/12/92/823441292.db2.gz IKEMCBFKBVNPSS-FGZHOGPDSA-N 1 0 390.487 4.276 20 0 GIADRO Brc1ccc(-c2nnc(C[N@@H+]3CCC[C@H]3Cc3ccccc3)o2)o1 ZINC000025359063 819969190 /nfs/dbraw/zinc/96/91/90/819969190.db2.gz ZPVZAUZSTVGOPW-AWEZNQCLSA-N 1 0 388.265 4.299 20 0 GIADRO COc1ccc([C@H]2CCC[N@@H+]2Cc2cc(=O)oc3cc(NC(C)=O)ccc23)cc1 ZINC000025415457 819976977 /nfs/dbraw/zinc/97/69/77/819976977.db2.gz BGGUTZCXZLPFRI-OAQYLSRUSA-N 1 0 392.455 4.097 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1CCN(c2ccc(C(C)C)cc2)C1=O ZINC000177366074 823446409 /nfs/dbraw/zinc/44/64/09/823446409.db2.gz AQHKEDWEEPRDGL-NRFANRHFSA-N 1 0 393.531 4.172 20 0 GIADRO Cc1ccc(C(=O)CCC(=O)NC[C@@H](C(C)C)[N@@H+]2CCc3ccccc3C2)s1 ZINC000025537023 819999420 /nfs/dbraw/zinc/99/94/20/819999420.db2.gz LRZXRLAAULOGLP-FQEVSTJZSA-N 1 0 398.572 4.219 20 0 GIADRO CC(C)n1c(-c2cccnc2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000573074531 823444189 /nfs/dbraw/zinc/44/41/89/823444189.db2.gz OUFAUBLVNXGZPX-RTBURBONSA-N 1 0 382.556 4.012 20 0 GIADRO Cc1cccc(OC(F)F)c1NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000189563017 823444568 /nfs/dbraw/zinc/44/45/68/823444568.db2.gz JKEZPLDTWLDENT-CRAIPNDOSA-N 1 0 375.419 4.163 20 0 GIADRO C[C@@H](NC(=O)NCc1cccc(C[NH+](C)C)c1)c1ccc(-c2cccnc2)cc1 ZINC000177359669 823444556 /nfs/dbraw/zinc/44/45/56/823444556.db2.gz AEMCUNPSUXSSIF-GOSISDBHSA-N 1 0 388.515 4.371 20 0 GIADRO CC[NH2+]Cc1cccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2OC(F)(F)F)c1 ZINC000122991796 823444864 /nfs/dbraw/zinc/44/48/64/823444864.db2.gz DRAYRYXZQCCAMG-DLBZAZTESA-N 1 0 378.394 4.437 20 0 GIADRO C[C@H](CNC(=O)c1csc(-c2cccs2)n1)[N@@H+]1CCc2ccccc2C1 ZINC000025637130 820009969 /nfs/dbraw/zinc/00/99/69/820009969.db2.gz KHOAEKMBUCKUHI-CQSZACIVSA-N 1 0 383.542 4.048 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C1CCN(Cc2ccccc2)CC1)CC3 ZINC000123001825 823446674 /nfs/dbraw/zinc/44/66/74/823446674.db2.gz GYNAJDQKRWEJBD-FQEVSTJZSA-N 1 0 389.543 4.288 20 0 GIADRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)c3cccc4ccccc43)cc2)C[C@H](C)O1 ZINC000058760333 823445918 /nfs/dbraw/zinc/44/59/18/823445918.db2.gz PDEILKJHIIIRBC-KDURUIRLSA-N 1 0 388.511 4.379 20 0 GIADRO CCc1c(C(=O)Nc2cc(C[NH+](C)C)ccc2C)nnn1-c1cccc(Cl)c1 ZINC000177365313 823446187 /nfs/dbraw/zinc/44/61/87/823446187.db2.gz RUGCPHTYOCFCKA-UHFFFAOYSA-N 1 0 397.910 4.105 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(Cl)ccc1OC)c1cccc(OC)c1 ZINC000025856735 820031713 /nfs/dbraw/zinc/03/17/13/820031713.db2.gz BECXKGVVWWOLPZ-IBGZPJMESA-N 1 0 390.911 4.170 20 0 GIADRO CCCC(CCC)[NH2+]Cc1cccnc1Oc1cccc(S(C)(=O)=O)c1 ZINC000177369878 823447373 /nfs/dbraw/zinc/44/73/73/823447373.db2.gz DZNNZYLVGVXNRW-UHFFFAOYSA-N 1 0 376.522 4.336 20 0 GIADRO Cc1[nH]c2ccccc2c1C(=O)NC[C@@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000025918552 820039215 /nfs/dbraw/zinc/03/92/15/820039215.db2.gz VFXAEWWPAGBKAA-QFIPXVFZSA-N 1 0 375.516 4.289 20 0 GIADRO CC[NH2+]Cc1cccc(NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000123018451 823448779 /nfs/dbraw/zinc/44/87/79/823448779.db2.gz FWQQKLWVZBDEQT-UHFFFAOYSA-N 1 0 384.867 4.071 20 0 GIADRO CN(Cc1ccccc1OC(F)(F)F)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000026179302 820067130 /nfs/dbraw/zinc/06/71/30/820067130.db2.gz UCTVVPOEQCNVES-UHFFFAOYSA-N 1 0 387.446 4.036 20 0 GIADRO COc1ccc2cc(CN(C)C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)ccc2c1 ZINC000026180358 820067741 /nfs/dbraw/zinc/06/77/41/820067741.db2.gz VMTSQCRFSSVTCU-UHFFFAOYSA-N 1 0 383.536 4.299 20 0 GIADRO COCc1ccc(C[NH2+]Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)cc1 ZINC000189580160 823450305 /nfs/dbraw/zinc/45/03/05/823450305.db2.gz HJPBYNRYMWQASU-UHFFFAOYSA-N 1 0 382.504 4.374 20 0 GIADRO COCCc1ccccc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000189589420 823453568 /nfs/dbraw/zinc/45/35/68/823453568.db2.gz OOGSAWGXMICGAU-NQIIRXRSSA-N 1 0 381.520 4.050 20 0 GIADRO C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@@H](C)c1ccc(NC(N)=O)cc1 ZINC000123033086 823451052 /nfs/dbraw/zinc/45/10/52/823451052.db2.gz IWLVXWVKLVZACX-KBPBESRZSA-N 1 0 377.435 4.451 20 0 GIADRO Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]C[C@H]1COc2ccccc2O1 ZINC000026305098 820080091 /nfs/dbraw/zinc/08/00/91/820080091.db2.gz HEZXKXXOVNVLGM-SFHVURJKSA-N 1 0 397.906 4.131 20 0 GIADRO CN(C)[C@@H](C[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)c1cccc(F)c1 ZINC000026309760 820080933 /nfs/dbraw/zinc/08/09/33/820080933.db2.gz ZRNUVLREYMASRZ-SFHVURJKSA-N 1 0 378.875 4.033 20 0 GIADRO C[C@@H](N[C@H](C)c1ccccc1Cl)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000026364697 820089447 /nfs/dbraw/zinc/08/94/47/820089447.db2.gz OOVZTRTWZNJHFF-QZTJIDSGSA-N 1 0 399.966 4.160 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000026369177 820090924 /nfs/dbraw/zinc/09/09/24/820090924.db2.gz SQBIQRYUCDBYSY-HUUCEWRRSA-N 1 0 385.895 4.145 20 0 GIADRO COc1ccccc1C(C)(C)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000058788544 823452053 /nfs/dbraw/zinc/45/20/53/823452053.db2.gz SEWCWGWNTSJZGQ-UHFFFAOYSA-N 1 0 380.532 4.275 20 0 GIADRO C[C@H](NC(=O)NC[C@H](c1ccsc1)[NH+](C)C)c1ccc(Br)cc1 ZINC000026392407 820093390 /nfs/dbraw/zinc/09/33/90/820093390.db2.gz PZAZBAXJGSHNMR-BLLLJJGKSA-N 1 0 396.354 4.174 20 0 GIADRO CCCC[N@H+](CC(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1)C1CC1 ZINC000026450505 820098640 /nfs/dbraw/zinc/09/86/40/820098640.db2.gz KXSQGBZXMMKPDH-GOSISDBHSA-N 1 0 393.531 4.381 20 0 GIADRO Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000058792295 823452699 /nfs/dbraw/zinc/45/26/99/823452699.db2.gz UCXUSMWPWKBNCS-SFHVURJKSA-N 1 0 394.277 4.450 20 0 GIADRO O[C@@H](C[NH2+]Cc1cc(Br)ccc1OC(F)F)c1ccc(F)cc1 ZINC000058792238 823452848 /nfs/dbraw/zinc/45/28/48/823452848.db2.gz QRBGCQQNUXFYMQ-AWEZNQCLSA-N 1 0 390.199 4.013 20 0 GIADRO O=C([C@@H](Cc1ccccc1)[NH2+]C1CC(c2cc(F)cc(F)c2)C1)N1CCCC1 ZINC000573139837 823453945 /nfs/dbraw/zinc/45/39/45/823453945.db2.gz MKOOSIFXZAWCFE-FQUBMZHMSA-N 1 0 384.470 4.034 20 0 GIADRO Cc1nc2ccc(NC(=O)NC3CC[NH+](CCc4ccccc4)CC3)cc2s1 ZINC000410310129 823459281 /nfs/dbraw/zinc/45/92/81/823459281.db2.gz HNISRLKXETWJJW-UHFFFAOYSA-N 1 0 394.544 4.433 20 0 GIADRO CCN(CCC[NH+]1CCCC1)C(=O)Nc1cc(NC(=O)C(C)(C)C)ccc1C ZINC000189595544 823454588 /nfs/dbraw/zinc/45/45/88/823454588.db2.gz CNIDAGGXKBGYGR-UHFFFAOYSA-N 1 0 388.556 4.319 20 0 GIADRO CCCc1noc2nc(C3CC3)cc(C(=O)NC3CC[NH+](C4CCCC4)CC3)c12 ZINC000177407699 823454830 /nfs/dbraw/zinc/45/48/30/823454830.db2.gz MTTJLEBSEQGYHZ-UHFFFAOYSA-N 1 0 396.535 4.190 20 0 GIADRO COC1(C[NH2+]Cc2ccc(-c3cccc(Br)c3)s2)CCOCC1 ZINC000123061805 823455463 /nfs/dbraw/zinc/45/54/63/823455463.db2.gz UDNLPFBACFADEL-UHFFFAOYSA-N 1 0 396.350 4.463 20 0 GIADRO COC(=O)[C@@H](C)[C@H]([NH2+]CC(=O)Nc1c(C)cccc1C(C)C)c1ccccc1 ZINC000177409836 823455526 /nfs/dbraw/zinc/45/55/26/823455526.db2.gz AMVOLDMUGUOFDS-JTSKRJEESA-N 1 0 382.504 4.197 20 0 GIADRO O=C(NC1CC[NH+](C2CCCC2)CC1)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000177410279 823455550 /nfs/dbraw/zinc/45/55/50/823455550.db2.gz LUSIUDIWUYENBO-MOPGFXCFSA-N 1 0 380.454 4.332 20 0 GIADRO COc1ccccc1-c1nc(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)cs1 ZINC000058807729 823455811 /nfs/dbraw/zinc/45/58/11/823455811.db2.gz JTDCCNHTDFUKFG-INIZCTEOSA-N 1 0 387.549 4.203 20 0 GIADRO COc1ccc(C2(C(=O)NCCCC[N@H+]3C[C@H](C)C[C@H](C)C3)CCCC2)cc1 ZINC000058808048 823455921 /nfs/dbraw/zinc/45/59/21/823455921.db2.gz ZCAFUSCRFXVLCZ-BGYRXZFFSA-N 1 0 386.580 4.381 20 0 GIADRO O=C(NC1CC[NH+](C2CCCC2)CC1)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000177413236 823456385 /nfs/dbraw/zinc/45/63/85/823456385.db2.gz XREKAAYLJHYYDY-ZWKOTPCHSA-N 1 0 380.454 4.332 20 0 GIADRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1cc2cc(Br)ccc2o1 ZINC000177414386 823456924 /nfs/dbraw/zinc/45/69/24/823456924.db2.gz QAXCFQUHZHWDRS-UHFFFAOYSA-N 1 0 391.309 4.332 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1ccc(Cn2ccnc2)cc1)CC3 ZINC000123085414 823459587 /nfs/dbraw/zinc/45/95/87/823459587.db2.gz OLHHZHYGOZFNII-IBGZPJMESA-N 1 0 386.499 4.068 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc4c(s3)CCCC4)c(C)c2)CC1 ZINC000026908912 820162509 /nfs/dbraw/zinc/16/25/09/820162509.db2.gz BERNTMSCLQWSPE-UHFFFAOYSA-N 1 0 383.561 4.330 20 0 GIADRO COC(=O)[C@@H](C)[C@@H]([NH2+]Cc1cc(=O)oc2c(C)c(C)ccc12)c1ccccc1 ZINC000177417316 823457496 /nfs/dbraw/zinc/45/74/96/823457496.db2.gz RKSMVMBFOGNUOS-HRAATJIYSA-N 1 0 379.456 4.050 20 0 GIADRO O=C(NC1CC[NH+](Cc2c[nH]nc2-c2cccc(Cl)c2)CC1)c1ccccc1 ZINC000123075308 823457821 /nfs/dbraw/zinc/45/78/21/823457821.db2.gz RTWZJZPAMLKFLM-UHFFFAOYSA-N 1 0 394.906 4.125 20 0 GIADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC000573163233 823457951 /nfs/dbraw/zinc/45/79/51/823457951.db2.gz BJPXBULEZSATGH-OAHLLOKOSA-N 1 0 378.476 4.347 20 0 GIADRO COC(=O)[C@@H](C)[C@H]([NH2+]CC(=O)Nc1c(Cl)cccc1Cl)c1ccccc1 ZINC000177418296 823457981 /nfs/dbraw/zinc/45/79/81/823457981.db2.gz QPLLIWHUBAXHHY-SJCJKPOMSA-N 1 0 395.286 4.072 20 0 GIADRO Cc1ccc(-c2nnc([C@H](C)Nc3ccc(N4CC[NH+](C)CC4)c(C)c3)o2)cc1 ZINC000026999187 820177064 /nfs/dbraw/zinc/17/70/64/820177064.db2.gz ASQWSZUSWZGHIS-SFHVURJKSA-N 1 0 391.519 4.278 20 0 GIADRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)c1csc(Cl)c1)c1ccccc1O2 ZINC000189619642 823460082 /nfs/dbraw/zinc/46/00/82/823460082.db2.gz OVSXKSBKVKFWKY-OAHLLOKOSA-N 1 0 376.909 4.120 20 0 GIADRO CCOc1cc(C[NH2+]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)cc(Cl)c1OC ZINC000189620768 823460469 /nfs/dbraw/zinc/46/04/69/823460469.db2.gz XJMRCSXCXQDLPY-SUMWQHHRSA-N 1 0 395.849 4.321 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)C[N@@H+](CCC(C)C)C2CC2)c(C(F)(F)F)c1 ZINC000027111027 820194954 /nfs/dbraw/zinc/19/49/54/820194954.db2.gz NOWAAZXLOQIUAY-UHFFFAOYSA-N 1 0 385.430 4.113 20 0 GIADRO O=C(CN1CC[NH+](C2CCCC2)CC1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000027118239 820195822 /nfs/dbraw/zinc/19/58/22/820195822.db2.gz DBBZWEQWHHJFJM-UHFFFAOYSA-N 1 0 390.742 4.146 20 0 GIADRO COc1ccc(SCCC(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000027150256 820201153 /nfs/dbraw/zinc/20/11/53/820201153.db2.gz SOFKFVLTXUZPLN-UHFFFAOYSA-N 1 0 384.545 4.090 20 0 GIADRO COc1ccc(C[NH2+]C[C@]2(O)CCC[C@@H](C(F)(F)F)C2)cc1Br ZINC000189623999 823461466 /nfs/dbraw/zinc/46/14/66/823461466.db2.gz MNMYVJFWENQFNQ-DOMZBBRYSA-N 1 0 396.247 4.031 20 0 GIADRO Cc1ccc(OC[C@@H](O)C[NH+]2CCC(C(=O)c3ccc(C)cc3C)CC2)c(C)c1 ZINC000027211619 820209488 /nfs/dbraw/zinc/20/94/88/820209488.db2.gz MZDROHSLSVOECC-QFIPXVFZSA-N 1 0 395.543 4.255 20 0 GIADRO CC(C)C(=O)NCC[NH2+]Cc1ccc(-c2cccc(Br)c2)s1 ZINC000027217331 820211433 /nfs/dbraw/zinc/21/14/33/820211433.db2.gz YKEMBHXXZNADIM-UHFFFAOYSA-N 1 0 381.339 4.039 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1ccc(OC2CCC2)cc1Cl)c1cccs1 ZINC000123098304 823462037 /nfs/dbraw/zinc/46/20/37/823462037.db2.gz NXGXFBLXZSPUDU-KRWDZBQOSA-N 1 0 378.925 4.366 20 0 GIADRO COc1cccc([C@@H](CNC(=O)Nc2ccccc2N2CCCCC2)[NH+](C)C)c1 ZINC000058851466 823462130 /nfs/dbraw/zinc/46/21/30/823462130.db2.gz GAXXWPCHCMASEH-JOCHJYFZSA-N 1 0 396.535 4.110 20 0 GIADRO CCC[NH+](CCC)CC(=O)Nc1ccccc1C(=O)Nc1ccc(OC)cc1 ZINC000027270501 820217909 /nfs/dbraw/zinc/21/79/09/820217909.db2.gz QTYRKRULIFYOLC-UHFFFAOYSA-N 1 0 383.492 4.008 20 0 GIADRO O[C@@]1(C[NH2+]Cc2ccccc2OCc2cccnc2)CCC[C@@H](C(F)(F)F)C1 ZINC000189629268 823462482 /nfs/dbraw/zinc/46/24/82/823462482.db2.gz AZMNKZAIZUTLRM-QUCCMNQESA-N 1 0 394.437 4.234 20 0 GIADRO CCCCNC(=S)C(C(=O)c1ccc(OC)c(Cl)c1)[n+]1ccc(C)cc1 ZINC000027322465 820224230 /nfs/dbraw/zinc/22/42/30/820224230.db2.gz LPIJDTIGNXFHJI-UHFFFAOYSA-O 1 0 391.944 4.273 20 0 GIADRO CCCCNC(=S)C(C(=O)c1ccc(OC)c(Cl)c1)[n+]1cccc(C)c1 ZINC000027322394 820224249 /nfs/dbraw/zinc/22/42/49/820224249.db2.gz SSLLMVZYPLYVMR-UHFFFAOYSA-O 1 0 391.944 4.273 20 0 GIADRO CCc1cccc[n+]1C(C(=O)c1cc(C)[nH]c1C)C(=S)NC1CCCCC1 ZINC000027329234 820225328 /nfs/dbraw/zinc/22/53/28/820225328.db2.gz MSQWVXCTEMWSOC-UHFFFAOYSA-O 1 0 384.569 4.343 20 0 GIADRO COc1cccc([C@@H](CNC(=O)CCc2c[nH]c3ccccc23)[NH+]2CCCC2)c1 ZINC000027340745 820227031 /nfs/dbraw/zinc/22/70/31/820227031.db2.gz XPPOPGQSIAVRKZ-HSZRJFAPSA-N 1 0 391.515 4.062 20 0 GIADRO COc1cccc([C@@H](CNC(=O)CCCOc2cccc(C)c2)[NH+]2CCCC2)c1 ZINC000027340925 820227790 /nfs/dbraw/zinc/22/77/90/820227790.db2.gz HMXHWAZTIKJOPM-HSZRJFAPSA-N 1 0 396.531 4.116 20 0 GIADRO COc1ccc(CC[C@@H](C)NC(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000177441357 823462942 /nfs/dbraw/zinc/46/29/42/823462942.db2.gz JQICNTDGRFWDCQ-GOSISDBHSA-N 1 0 387.568 4.113 20 0 GIADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2cc(Cl)nc(Cl)c2)CC1 ZINC000027388755 820237075 /nfs/dbraw/zinc/23/70/75/820237075.db2.gz XQFAUHNXVQXNKU-UHFFFAOYSA-N 1 0 378.303 4.045 20 0 GIADRO CC[C@@H](C)[NH2+]Cc1ccc(OCC(=O)Nc2ccc(F)c(Cl)c2)c(OC)c1 ZINC000027392682 820238230 /nfs/dbraw/zinc/23/82/30/820238230.db2.gz SGSFDWMYLMZYLJ-CYBMUJFWSA-N 1 0 394.874 4.393 20 0 GIADRO COc1cccc(OC)c1OC1CC[NH+](Cc2cnc3ccccc3c2)CC1 ZINC000410325962 823463608 /nfs/dbraw/zinc/46/36/08/823463608.db2.gz MEIYDTJPGHQZPO-UHFFFAOYSA-N 1 0 378.472 4.295 20 0 GIADRO CC(C)[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc(N2CCCC2=O)c1)c1ccccc1 ZINC000027450981 820246350 /nfs/dbraw/zinc/24/63/50/820246350.db2.gz MBRRDAFALZALIW-JTSKRJEESA-N 1 0 379.504 4.127 20 0 GIADRO CCCOc1ccc(C[NH2+]C[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)cc1OC ZINC000189636724 823463951 /nfs/dbraw/zinc/46/39/51/823463951.db2.gz DNBWTVKSGKJUKG-CRAIPNDOSA-N 1 0 375.431 4.057 20 0 GIADRO Cc1ccccc1C[NH+]1CCN([C@H](C)C(=O)Nc2ccccc2C(C)C)CC1 ZINC000027535773 820256817 /nfs/dbraw/zinc/25/68/17/820256817.db2.gz OEFCUEABOPEISD-HXUWFJFHSA-N 1 0 379.548 4.263 20 0 GIADRO CC[C@@H](C[NH2+][C@@H](C)c1ccc(OC)c(NC(C)=O)c1)N1CCc2ccccc2C1 ZINC000123115449 823464632 /nfs/dbraw/zinc/46/46/32/823464632.db2.gz VJXRPDRBHJTDBX-JTSKRJEESA-N 1 0 395.547 4.141 20 0 GIADRO O=C(COC(c1ccccc1)c1ccccc1)NC1CC[NH+](C2CCCC2)CC1 ZINC000177448693 823464639 /nfs/dbraw/zinc/46/46/39/823464639.db2.gz NVDOLJWAZOJLGC-UHFFFAOYSA-N 1 0 392.543 4.316 20 0 GIADRO O=C(CSc1ccc(F)c(F)c1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000058879296 823465379 /nfs/dbraw/zinc/46/53/79/823465379.db2.gz KNLJSKZUHZBRBT-UHFFFAOYSA-N 1 0 382.520 4.172 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)c1cccc(-n2cccc2)c1)[NH+]1CCCC1 ZINC000027571418 820260712 /nfs/dbraw/zinc/26/07/12/820260712.db2.gz BNJNAVTYQLWSNU-JOCHJYFZSA-N 1 0 389.499 4.053 20 0 GIADRO COc1ccccc1CCC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000027573203 820261297 /nfs/dbraw/zinc/26/12/97/820261297.db2.gz KYBCQKWLMQQAGV-LJQANCHMSA-N 1 0 386.561 4.279 20 0 GIADRO CC1CC[NH+]([C@H](CNC(=O)c2cc(Br)c[nH]2)c2cccs2)CC1 ZINC000027574468 820261775 /nfs/dbraw/zinc/26/17/75/820261775.db2.gz JHIIGUUMWGWAQG-OAHLLOKOSA-N 1 0 396.354 4.042 20 0 GIADRO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000573207440 823465598 /nfs/dbraw/zinc/46/55/98/823465598.db2.gz WDRVFTWIGSDEEJ-UZLBHIALSA-N 1 0 375.463 4.158 20 0 GIADRO O=C(CSCc1ccc(F)cc1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000027603045 820266160 /nfs/dbraw/zinc/26/61/60/820266160.db2.gz YEIBSDZDELUAEK-KRWDZBQOSA-N 1 0 378.538 4.074 20 0 GIADRO CCOc1ccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1OCC ZINC000027604778 820266429 /nfs/dbraw/zinc/26/64/29/820266429.db2.gz UXVPQMAIWVCEFN-QGZVFWFLSA-N 1 0 388.533 4.112 20 0 GIADRO COc1cc(Br)ccc1C[NH2+]CCc1nc2c(cccc2C)o1 ZINC000410352268 823471163 /nfs/dbraw/zinc/47/11/63/823471163.db2.gz JDRFDQJLOAOONW-UHFFFAOYSA-N 1 0 375.266 4.240 20 0 GIADRO O=C(CCCc1ccc(Br)s1)NC1CC[NH+](C2CCCC2)CC1 ZINC000177453405 823466135 /nfs/dbraw/zinc/46/61/35/823466135.db2.gz GHBIUFOMIQDCSR-UHFFFAOYSA-N 1 0 399.398 4.357 20 0 GIADRO CC1CC[NH+](Cc2ccc(CNC(=O)N(C)Cc3ccc(F)cc3)cc2)CC1 ZINC000410334818 823466191 /nfs/dbraw/zinc/46/61/91/823466191.db2.gz XTZZAPUSKIZDGH-UHFFFAOYSA-N 1 0 383.511 4.399 20 0 GIADRO COc1ccc([C@H](CNC(=O)[C@@H](C)Oc2cccc(C)c2)[NH+]2CCCCC2)cc1 ZINC000027667256 820273070 /nfs/dbraw/zinc/27/30/70/820273070.db2.gz VRAAGCGEQBUBMV-XXBNENTESA-N 1 0 396.531 4.114 20 0 GIADRO CCOc1cccc(CNC(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)c1 ZINC000410336045 823466638 /nfs/dbraw/zinc/46/66/38/823466638.db2.gz BXGNLKXAWGBCEQ-IBGZPJMESA-N 1 0 395.547 4.459 20 0 GIADRO Cn1cc(CCC(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)c2ccccc21 ZINC000573216110 823466741 /nfs/dbraw/zinc/46/67/41/823466741.db2.gz WMRVGJYQFOWVIL-UHFFFAOYSA-N 1 0 375.394 4.227 20 0 GIADRO C[C@H](NC(=O)N[C@H]1CCc2sc(Cl)cc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000460650286 823466961 /nfs/dbraw/zinc/46/69/61/823466961.db2.gz CFNQPYPKTVBRMI-ZENOOKHLSA-N 1 0 381.973 4.341 20 0 GIADRO CC[C@H](NC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1)c1nccs1 ZINC000123128182 823466981 /nfs/dbraw/zinc/46/69/81/823466981.db2.gz YUBBMJUBJGAJOC-IBGZPJMESA-N 1 0 386.565 4.326 20 0 GIADRO CCOc1ccc(-c2nc(C)c(C(=O)N[C@@H](C)C[NH+]3CCCCC3)s2)cc1 ZINC000027767097 820284398 /nfs/dbraw/zinc/28/43/98/820284398.db2.gz RNVOYPUVXDARPT-HNNXBMFYSA-N 1 0 387.549 4.121 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@H]2CCCN(CC(C)(C)C)C2=O)ccc1OC(C)C ZINC000460654031 823467894 /nfs/dbraw/zinc/46/78/94/823467894.db2.gz BVNJERBKZSWKGA-WMZOPIPTSA-N 1 0 376.541 4.170 20 0 GIADRO C[C@H](NC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)c1cccc(F)c1F ZINC000460654408 823467910 /nfs/dbraw/zinc/46/79/10/823467910.db2.gz GWJRVFHDIKGAMG-QXAKKESOSA-N 1 0 399.485 4.189 20 0 GIADRO COc1ccc(CN(C(=O)C[N@H+](C)[C@H]2CCCc3ccccc32)C2CC2)cc1 ZINC000027906206 820295343 /nfs/dbraw/zinc/29/53/43/820295343.db2.gz PCVVDAYOPNJLSU-QHCPKHFHSA-N 1 0 378.516 4.196 20 0 GIADRO C[C@H](NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)c1cccc(F)c1F ZINC000460654410 823467931 /nfs/dbraw/zinc/46/79/31/823467931.db2.gz GWJRVFHDIKGAMG-WDSOQIARSA-N 1 0 399.485 4.189 20 0 GIADRO Cc1ccc(CSCC(=O)NC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000027927777 820297798 /nfs/dbraw/zinc/29/77/98/820297798.db2.gz OMGNTJYJEGLBJM-UHFFFAOYSA-N 1 0 382.573 4.052 20 0 GIADRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)c1cc(Cl)sc1Cl ZINC000027931095 820298126 /nfs/dbraw/zinc/29/81/26/820298126.db2.gz ZPTZHCDVSQKNNZ-UHFFFAOYSA-N 1 0 383.344 4.492 20 0 GIADRO CC1CC[NH+](CCCNC(=O)c2cc3ccccc3cc2NC(=O)C2CC2)CC1 ZINC000028070373 820309367 /nfs/dbraw/zinc/30/93/67/820309367.db2.gz ZJXILIZWEMDRKM-UHFFFAOYSA-N 1 0 393.531 4.040 20 0 GIADRO Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000028172663 820315414 /nfs/dbraw/zinc/31/54/14/820315414.db2.gz PHSRUVHFLNRUCE-UHFFFAOYSA-N 1 0 382.552 4.323 20 0 GIADRO Cc1oc(-c2cccs2)nc1CC(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000028177042 820315939 /nfs/dbraw/zinc/31/59/39/820315939.db2.gz OILIUCPETXMXAX-UHFFFAOYSA-N 1 0 381.501 4.489 20 0 GIADRO O=C(CCOc1ccccc1-c1ccccc1)N1CCC([NH+]2CCCC2)CC1 ZINC000058908479 823469341 /nfs/dbraw/zinc/46/93/41/823469341.db2.gz PEVRIAAFHNPBBX-UHFFFAOYSA-N 1 0 378.516 4.209 20 0 GIADRO O=C(c1csc(-c2cccc(Cl)c2)n1)N1CCC([NH+]2CCCC2)CC1 ZINC000058908966 823469361 /nfs/dbraw/zinc/46/93/61/823469361.db2.gz COYFVZWHAQISOZ-UHFFFAOYSA-N 1 0 375.925 4.164 20 0 GIADRO COc1cc(C[NH2+][C@@H](C)c2cccc3ccccc32)cc(Cl)c1OCC(N)=O ZINC000028308017 820323894 /nfs/dbraw/zinc/32/38/94/820323894.db2.gz CULWTMBCLKMFNB-AWEZNQCLSA-N 1 0 398.890 4.217 20 0 GIADRO CC(C)(C)c1nc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)no1 ZINC000058913968 823469904 /nfs/dbraw/zinc/46/99/04/823469904.db2.gz RNBKEVHSTZTQSP-UHFFFAOYSA-N 1 0 390.531 4.274 20 0 GIADRO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)c(C)c1 ZINC000028350752 820328666 /nfs/dbraw/zinc/32/86/66/820328666.db2.gz KOXBZQQATGZHLD-IRXDYDNUSA-N 1 0 379.504 4.330 20 0 GIADRO COC1(C[NH2+]Cc2ccc(-c3ccc(Br)cc3)s2)CCOCC1 ZINC000123158746 823471603 /nfs/dbraw/zinc/47/16/03/823471603.db2.gz KJUOVBXWLMVYIE-UHFFFAOYSA-N 1 0 396.350 4.463 20 0 GIADRO COc1ccc(Br)cc1C[NH2+]CCc1nc2c(cccc2C)o1 ZINC000410349927 823470312 /nfs/dbraw/zinc/47/03/12/823470312.db2.gz CJDTVPARCWYPQI-UHFFFAOYSA-N 1 0 375.266 4.240 20 0 GIADRO Cc1cccc(COc2cccc(C(=O)N3CCC[C@H]([NH+]4CCCC4)C3)c2)c1 ZINC000058918885 823470411 /nfs/dbraw/zinc/47/04/11/823470411.db2.gz CJEODGOMHMFBGG-QFIPXVFZSA-N 1 0 378.516 4.274 20 0 GIADRO COCCC1(C[NH2+][C@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)CCC1 ZINC000123154941 823471010 /nfs/dbraw/zinc/47/10/10/823471010.db2.gz UNRUIKCVKXEBDG-QGZVFWFLSA-N 1 0 379.566 4.260 20 0 GIADRO CC[N@@H+]1CC[C@@H](CNC(=O)COc2ccc(Cl)cc2C2CCCCC2)C1 ZINC000058923638 823470996 /nfs/dbraw/zinc/47/09/96/823470996.db2.gz MYVHIHZTRJOHPD-INIZCTEOSA-N 1 0 378.944 4.225 20 0 GIADRO O=C(CCc1ccc(OC(F)F)cc1)NCc1ccccc1C[NH+]1CCCC1 ZINC000028488522 820339088 /nfs/dbraw/zinc/33/90/88/820339088.db2.gz FGFKOBHMZZYICW-UHFFFAOYSA-N 1 0 388.458 4.133 20 0 GIADRO CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H](C)c2ccccc2)c1 ZINC000177476480 823471850 /nfs/dbraw/zinc/47/18/50/823471850.db2.gz AETIVVZOLLWCTC-QRVBRYPASA-N 1 0 395.547 4.277 20 0 GIADRO Cc1nc(-c2ccc(CC[NH2+][C@H](C(=O)NC3CC3)c3ccccc3)s2)cs1 ZINC000028623172 820346487 /nfs/dbraw/zinc/34/64/87/820346487.db2.gz WGAMCRKOJWRYNJ-FQEVSTJZSA-N 1 0 397.569 4.332 20 0 GIADRO O=C(CSCc1coc(-c2ccccc2)n1)N1CCC([NH+]2CCCCC2)CC1 ZINC000058935617 823472717 /nfs/dbraw/zinc/47/27/17/823472717.db2.gz QLZWIYXABURXCA-UHFFFAOYSA-N 1 0 399.560 4.052 20 0 GIADRO CC[C@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)c1nc(C(F)(F)F)cs1 ZINC000573264908 823472839 /nfs/dbraw/zinc/47/28/39/823472839.db2.gz MBGLHOQUVWEUJS-AWEZNQCLSA-N 1 0 385.455 4.147 20 0 GIADRO Cc1cccc2oc(CC[NH2+][C@H](C)CC(=O)N(C)Cc3cccc(Cl)c3)nc21 ZINC000410358184 823473177 /nfs/dbraw/zinc/47/31/77/823473177.db2.gz IAKDRWGBCZJLMB-MRXNPFEDSA-N 1 0 399.922 4.359 20 0 GIADRO Cc1ccc(-n2ncc(C(=O)NC[C@@H](c3cccs3)[NH+](C)C)c2C(C)C)cc1 ZINC000028834813 820361944 /nfs/dbraw/zinc/36/19/44/820361944.db2.gz OPOIGZZYZMYUEX-IBGZPJMESA-N 1 0 396.560 4.398 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)CCC(=O)c2ccc3c(c2)CCCC3)C1 ZINC000058971798 823477249 /nfs/dbraw/zinc/47/72/49/823477249.db2.gz FXJIBPGWHLZEMG-BGYRXZFFSA-N 1 0 398.591 4.403 20 0 GIADRO COc1cccc([C@@H](CNC(=O)c2ccc(OC3CCCC3)cc2)[NH+](C)C)c1 ZINC000028840817 820362653 /nfs/dbraw/zinc/36/26/53/820362653.db2.gz AGPFOCUUUGQQNB-JOCHJYFZSA-N 1 0 382.504 4.049 20 0 GIADRO COc1ccc(CNC(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1F ZINC000410358331 823473549 /nfs/dbraw/zinc/47/35/49/823473549.db2.gz ILSIATSCFKWTNK-KRWDZBQOSA-N 1 0 399.510 4.066 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1)C(=O)Nc1ccc(Cl)cn1 ZINC000028878177 820365784 /nfs/dbraw/zinc/36/57/84/820365784.db2.gz XKOGJBYXJFXKJA-QWRGUYRKSA-N 1 0 382.689 4.175 20 0 GIADRO C[C@H](NCc1ccccc1C[NH+]1CCCCC1)C(=O)Nc1ccc(F)cc1F ZINC000028899371 820369724 /nfs/dbraw/zinc/36/97/24/820369724.db2.gz AQSIAWZGSSSNPG-INIZCTEOSA-N 1 0 387.474 4.068 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)c1 ZINC000028918115 820372311 /nfs/dbraw/zinc/37/23/11/820372311.db2.gz VARHAKYGTBLIAH-LRDDRELGSA-N 1 0 397.302 4.042 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)c2cc(F)cc(Br)c2)cc1 ZINC000058947892 823474281 /nfs/dbraw/zinc/47/42/81/823474281.db2.gz NUDRUMLHOSCURR-UHFFFAOYSA-N 1 0 393.300 4.360 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H]3Cc4cc(Cl)ccc4O3)cc2)C1 ZINC000058948734 823474302 /nfs/dbraw/zinc/47/43/02/823474302.db2.gz OMLMMMXUQPBNFN-AOMKIAJQSA-N 1 0 398.934 4.192 20 0 GIADRO COc1cc(OC)c(NC(=O)C[NH2+][C@H](C)c2ccc(Cl)cc2)cc1Cl ZINC000028966239 820378391 /nfs/dbraw/zinc/37/83/91/820378391.db2.gz JFTFOCMOIXFSTA-LLVKDONJSA-N 1 0 383.275 4.300 20 0 GIADRO COc1ccc(OC)c(NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000410364097 823475209 /nfs/dbraw/zinc/47/52/09/823475209.db2.gz XXTQSSWIFYUXNB-KRWDZBQOSA-N 1 0 397.519 4.257 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCn2cccc2[C@@H]1C ZINC000410365368 823475886 /nfs/dbraw/zinc/47/58/86/823475886.db2.gz JTLYCQUBAVUWSC-MOPGFXCFSA-N 1 0 380.536 4.149 20 0 GIADRO C[C@H](CCc1ccco1)NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000410365783 823476251 /nfs/dbraw/zinc/47/62/51/823476251.db2.gz MDIKTKWINVZWRB-RBUKOAKNSA-N 1 0 383.536 4.332 20 0 GIADRO CCN(CC)C(=O)C1CC[NH+](Cc2ccc(OCc3ccc(F)cc3)cc2)CC1 ZINC000058959414 823476332 /nfs/dbraw/zinc/47/63/32/823476332.db2.gz MNKRTVTVQZHPIT-UHFFFAOYSA-N 1 0 398.522 4.485 20 0 GIADRO O=C(CSc1nc2ccccc2s1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000029177920 820407020 /nfs/dbraw/zinc/40/70/20/820407020.db2.gz UXEPNRDSIQFBAS-SFHVURJKSA-N 1 0 397.569 4.342 20 0 GIADRO O=C(Nc1nc(-c2cccnc2)cs1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000029241647 820418005 /nfs/dbraw/zinc/41/80/05/820418005.db2.gz IMCOTJBQBZOJBI-UHFFFAOYSA-N 1 0 378.501 4.443 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2c(C)cc(Br)cc2C)C1 ZINC000177528176 823483057 /nfs/dbraw/zinc/48/30/57/823483057.db2.gz SRXWYFLZDZMYBL-HNNXBMFYSA-N 1 0 382.346 4.262 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCc4ccccc4C3)cc2)C1 ZINC000410370924 823478359 /nfs/dbraw/zinc/47/83/59/823478359.db2.gz DWBZSNSXLNOWBC-IBGZPJMESA-N 1 0 377.532 4.186 20 0 GIADRO O=C(NCC[NH+]1CCCCC1)c1sc(-c2ccco2)nc1-c1ccccc1 ZINC000058980300 823478423 /nfs/dbraw/zinc/47/84/23/823478423.db2.gz YSDZNHHEPFAABJ-UHFFFAOYSA-N 1 0 381.501 4.286 20 0 GIADRO CC(C)c1oc([C@@H]2CCCN2C(=O)NCC2=CC[NH2+]CC2)nc1-c1ccccc1 ZINC000573309194 823479142 /nfs/dbraw/zinc/47/91/42/823479142.db2.gz RIWWQOFCRSCQBF-IBGZPJMESA-N 1 0 394.519 4.231 20 0 GIADRO C[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(CC(F)(F)F)c2)[C@@H]1c1ccccc1 ZINC000189705558 823479241 /nfs/dbraw/zinc/47/92/41/823479241.db2.gz JPPHPUIWETVLGE-MSOLQXFVSA-N 1 0 377.410 4.358 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)Nc3ccc4c(c3)OCCO4)cc2)C1 ZINC000410372951 823479310 /nfs/dbraw/zinc/47/93/10/823479310.db2.gz WNKRUNFBWNCTPB-QGZVFWFLSA-N 1 0 395.503 4.011 20 0 GIADRO COc1cc(CC(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)ccc1C ZINC000029358534 820443250 /nfs/dbraw/zinc/44/32/50/820443250.db2.gz IGLJHDFNLMLVMY-UHFFFAOYSA-N 1 0 380.532 4.094 20 0 GIADRO CC1CC[NH+](Cc2ccc(CNC(=O)c3cc(-c4ccco4)on3)cc2)CC1 ZINC000029358755 820443273 /nfs/dbraw/zinc/44/32/73/820443273.db2.gz IHOKFUWLYDXRAN-UHFFFAOYSA-N 1 0 379.460 4.097 20 0 GIADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)c1cc2c(cccc2F)s1 ZINC000029368603 820445188 /nfs/dbraw/zinc/44/51/88/820445188.db2.gz GNCYAUWEEYPXES-UHFFFAOYSA-N 1 0 378.538 4.132 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N(C)CCOc1ccccc1 ZINC000410374666 823479627 /nfs/dbraw/zinc/47/96/27/823479627.db2.gz UNGZMDRZDFBMCE-FQEVSTJZSA-N 1 0 395.547 4.281 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N(C)CCOc3ccccc3)cc2)C1 ZINC000410374710 823480023 /nfs/dbraw/zinc/48/00/23/823480023.db2.gz ZTADEFSBBJANCK-HXUWFJFHSA-N 1 0 395.547 4.139 20 0 GIADRO CC1CC[NH+]([C@H](CNC(=O)c2ccc(-n3ccnc3)cc2)c2cccs2)CC1 ZINC000029434416 820454408 /nfs/dbraw/zinc/45/44/08/820454408.db2.gz JJXLMKWETKDGIX-HXUWFJFHSA-N 1 0 394.544 4.137 20 0 GIADRO CC[C@@H](NC(=O)NCC1CC[NH+](Cc2cccs2)CC1)c1c(C)noc1C ZINC000123237150 823483325 /nfs/dbraw/zinc/48/33/25/823483325.db2.gz NBEJGHPDRABFTN-GOSISDBHSA-N 1 0 390.553 4.015 20 0 GIADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)N[C@@H]1CCOc2c(Cl)cccc21 ZINC000177514747 823480385 /nfs/dbraw/zinc/48/03/85/823480385.db2.gz GZKIHWUWCOASGT-LJQANCHMSA-N 1 0 391.943 4.260 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)Nc2cccc3c2ccn(C)c3=O)cc1)C(C)C ZINC000410378365 823480983 /nfs/dbraw/zinc/48/09/83/823480983.db2.gz APBBMAAHLDTZHG-UHFFFAOYSA-N 1 0 377.488 4.021 20 0 GIADRO C[C@H]1C[C@@H](NC(=O)Nc2cccc(OCCF)c2)CC[N@@H+]1Cc1ccccc1 ZINC000123227647 823481599 /nfs/dbraw/zinc/48/15/99/823481599.db2.gz QLRAJPFFGXXMKV-PXNSSMCTSA-N 1 0 385.483 4.210 20 0 GIADRO CC[C@@H](C)c1ccccc1OCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000029547960 820474153 /nfs/dbraw/zinc/47/41/53/820474153.db2.gz IEGCARMSOSVACP-LJQANCHMSA-N 1 0 380.532 4.491 20 0 GIADRO C[C@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)N1CC[NH+](CC2CC2)CC1 ZINC000123228185 823481679 /nfs/dbraw/zinc/48/16/79/823481679.db2.gz NWDWKMODCLKUJC-GFCCVEGCSA-N 1 0 381.307 4.132 20 0 GIADRO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2cnc3ccccc3c2)C1 ZINC000410390380 823484050 /nfs/dbraw/zinc/48/40/50/823484050.db2.gz PGBHEIAIYBGVAI-SFHVURJKSA-N 1 0 393.453 4.248 20 0 GIADRO CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000029698811 820500084 /nfs/dbraw/zinc/50/00/84/820500084.db2.gz ZDAFICGSFZCOBL-MLGOLLRUSA-N 1 0 397.302 4.042 20 0 GIADRO CC(C)Oc1ccc(CNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000059037227 823484259 /nfs/dbraw/zinc/48/42/59/823484259.db2.gz GICPSXKKVVCJFT-FQEVSTJZSA-N 1 0 385.508 4.093 20 0 GIADRO O=C(COc1ccc(Cl)c(Cl)c1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000029764147 820512385 /nfs/dbraw/zinc/51/23/85/820512385.db2.gz ATPKMIAPJAUZAN-UHFFFAOYSA-N 1 0 393.314 4.284 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(OCc3cccc(F)c3)c2)C1 ZINC000177536147 823485296 /nfs/dbraw/zinc/48/52/96/823485296.db2.gz CMGBFJQTPVIEFE-SFHVURJKSA-N 1 0 385.483 4.210 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)c(C)c2)CC1 ZINC000029770992 820514463 /nfs/dbraw/zinc/51/44/63/820514463.db2.gz HHVMNYARRUMMRF-LEWJYISDSA-N 1 0 381.495 4.018 20 0 GIADRO C[NH+](C)CCN(Cc1ccco1)Cc1cc(Br)c(Cl)s1 ZINC000573407456 823489545 /nfs/dbraw/zinc/48/95/45/823489545.db2.gz OMEYDXBXSLABFV-UHFFFAOYSA-N 1 0 377.735 4.321 20 0 GIADRO CC(C)c1cc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c2cnn(C(C)C)c2n1 ZINC000029787745 820519144 /nfs/dbraw/zinc/51/91/44/820519144.db2.gz LSOCFOPPHUUBMP-UHFFFAOYSA-N 1 0 385.556 4.175 20 0 GIADRO COc1cc(CNC(=O)c2cc3cc(C)ccc3s2)ccc1OCC[NH+](C)C ZINC000573371452 823485746 /nfs/dbraw/zinc/48/57/46/823485746.db2.gz ZXRWRSAZUHMWGM-UHFFFAOYSA-N 1 0 398.528 4.089 20 0 GIADRO C[N@H+](CC(=O)Nc1ccnn1Cc1ccccc1Cl)[C@H]1CCc2ccccc21 ZINC000029810944 820522910 /nfs/dbraw/zinc/52/29/10/820522910.db2.gz XGDIJDKMHAALST-FQEVSTJZSA-N 1 0 394.906 4.143 20 0 GIADRO CC(=O)c1c(C)[nH]c(C(=O)NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)c1C ZINC000059286562 823489592 /nfs/dbraw/zinc/48/95/92/823489592.db2.gz KHQDNAUYUZULLT-IYBDPMFKSA-N 1 0 395.547 4.242 20 0 GIADRO O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000177540131 823486221 /nfs/dbraw/zinc/48/62/21/823486221.db2.gz CRLUVWCGMAPKLV-KRWDZBQOSA-N 1 0 390.959 4.280 20 0 GIADRO O=C(CC[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1)NCc1ccccc1Cl ZINC000029828605 820527320 /nfs/dbraw/zinc/52/73/20/820527320.db2.gz MGDXKDDUGZMTNA-KRWDZBQOSA-N 1 0 397.906 4.367 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1c[nH]nc1-c1ccc(Cl)cc1 ZINC000029907700 820545374 /nfs/dbraw/zinc/54/53/74/820545374.db2.gz QWIAPWSISBLUKF-UHFFFAOYSA-N 1 0 394.906 4.256 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1oc2ccccc2c1COC)Cc1ccccc1 ZINC000029916921 820548333 /nfs/dbraw/zinc/54/83/33/820548333.db2.gz OASKXSDTTOZQEG-IBGZPJMESA-N 1 0 394.515 4.262 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(Cl)nc(Cl)c1)Cc1ccccc1 ZINC000029920585 820548617 /nfs/dbraw/zinc/54/86/17/820548617.db2.gz MTYCGBQASIBXCY-MRXNPFEDSA-N 1 0 380.319 4.071 20 0 GIADRO CC(C)C[C@H](NC(=O)NCc1cccc(OCC[NH+](C)C)c1)c1ccccc1 ZINC000410404260 823488265 /nfs/dbraw/zinc/48/82/65/823488265.db2.gz ZBXXQQVRVNHCLG-QFIPXVFZSA-N 1 0 383.536 4.214 20 0 GIADRO C[NH+](C)Cc1ccc(NC(=O)c2csc(COc3ccc(F)cc3)n2)cc1 ZINC000029951817 820555840 /nfs/dbraw/zinc/55/58/40/820555840.db2.gz HCRHIWCACKLFTP-UHFFFAOYSA-N 1 0 385.464 4.175 20 0 GIADRO C[NH+](C)Cc1ccc(NC(=O)COc2ccc(Br)cc2Cl)cc1 ZINC000029952688 820556332 /nfs/dbraw/zinc/55/63/32/820556332.db2.gz TYBIWJNNOKXVBD-UHFFFAOYSA-N 1 0 397.700 4.182 20 0 GIADRO CC(C)C[C@@H](NC(=O)NCc1cccc(OCC[NH+](C)C)c1)c1ccccc1 ZINC000410404258 823488446 /nfs/dbraw/zinc/48/84/46/823488446.db2.gz ZBXXQQVRVNHCLG-JOCHJYFZSA-N 1 0 383.536 4.214 20 0 GIADRO CCOc1ccc2cc(C(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)[nH]c2c1 ZINC000059363577 823493693 /nfs/dbraw/zinc/49/36/93/823493693.db2.gz OZRNYAYXBNOWJP-UHFFFAOYSA-N 1 0 391.515 4.483 20 0 GIADRO CC(C)N(C)C(=O)C1CC[NH+](Cc2c(-c3ccccc3)nc3ccccn32)CC1 ZINC000030272392 820593727 /nfs/dbraw/zinc/59/37/27/820593727.db2.gz FEABJZADDSMJPR-UHFFFAOYSA-N 1 0 390.531 4.080 20 0 GIADRO CC(C)Cc1ccc([C@@H](C)NC(=O)CN2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000059387049 823494669 /nfs/dbraw/zinc/49/46/69/823494669.db2.gz LJFYDLOWVXUIPZ-HXUWFJFHSA-N 1 0 385.596 4.013 20 0 GIADRO C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C(=O)NC2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000410428510 823494958 /nfs/dbraw/zinc/49/49/58/823494958.db2.gz YMCBLNPRRYHHMN-RCOXNQKVSA-N 1 0 378.516 4.287 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@H](C)C(=O)NC2CCC(C)CC2)ccc1OC(C)C ZINC000030492472 820622402 /nfs/dbraw/zinc/62/24/02/820622402.db2.gz DVMVDHNWLLXUFU-VZDIDWBNSA-N 1 0 376.541 4.216 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(N(C)C)cc2)ccc1OC(C)C ZINC000030492475 820622490 /nfs/dbraw/zinc/62/24/90/820622490.db2.gz AADATNMXKOYDBX-IRXDYDNUSA-N 1 0 399.535 4.226 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@@H](C)C(=O)NC2CCC(C)CC2)ccc1OC(C)C ZINC000030492471 820622698 /nfs/dbraw/zinc/62/26/98/820622698.db2.gz DVMVDHNWLLXUFU-VIHIWDAPSA-N 1 0 376.541 4.216 20 0 GIADRO O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@H+](Cc2cnc3ccccc3c2)C1 ZINC000410419035 823491687 /nfs/dbraw/zinc/49/16/87/823491687.db2.gz FSDCCMVMDDJKRE-QGZVFWFLSA-N 1 0 380.879 4.134 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(COCc2ccco2)c1)C(=O)Nc1cccnc1Cl ZINC000030511224 820627985 /nfs/dbraw/zinc/62/79/85/820627985.db2.gz DLDYQFHESCGJII-HNNXBMFYSA-N 1 0 399.878 4.162 20 0 GIADRO C[C@@H]([NH2+]CC1(N2CCSCC2)CCCC1)C(=O)Nc1ccc2ccccc2c1 ZINC000030514081 820628751 /nfs/dbraw/zinc/62/87/51/820628751.db2.gz KGWZTLQXJNVCBK-GOSISDBHSA-N 1 0 397.588 4.118 20 0 GIADRO COc1cc([C@H](C)[NH2+]C[C@H](O)COc2cc(C)ccc2C)ccc1OC(C)C ZINC000030533692 820634049 /nfs/dbraw/zinc/63/40/49/820634049.db2.gz DPMDRDJJZGZMCO-ICSRJNTNSA-N 1 0 387.520 4.190 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)Cn1c2ccccc2c2ccccc21)c1ccc2c(c1)OCO2 ZINC000030535692 820634695 /nfs/dbraw/zinc/63/46/95/820634695.db2.gz UKVHRDQPZUCGDB-WMZOPIPTSA-N 1 0 388.467 4.235 20 0 GIADRO CC[C@H](Oc1ccccc1Cl)C(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000177577609 823495170 /nfs/dbraw/zinc/49/51/70/823495170.db2.gz CKJXHBTWCTWSAL-IBGZPJMESA-N 1 0 390.911 4.213 20 0 GIADRO Cc1cc(C)c(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)c(C)c1 ZINC000123297625 823492726 /nfs/dbraw/zinc/49/27/26/823492726.db2.gz PYSYIJFIDFYIRZ-VQTJNVASSA-N 1 0 395.547 4.126 20 0 GIADRO C[NH+](C)CCOc1cccc(CNC(=O)c2ccc(Oc3ccccc3)cc2)c1 ZINC000059350511 823492869 /nfs/dbraw/zinc/49/28/69/823492869.db2.gz DRFSCTVMADSWGT-UHFFFAOYSA-N 1 0 390.483 4.349 20 0 GIADRO CCc1c(C(=O)NCc2ccc(C[NH+](CC)CC)cc2)cnn1-c1ccccc1 ZINC000030566620 820642162 /nfs/dbraw/zinc/64/21/62/820642162.db2.gz HYRSIRAQXGEONR-UHFFFAOYSA-N 1 0 390.531 4.207 20 0 GIADRO CC(C)Cn1c(C2CC2)nnc1N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000460736734 823500210 /nfs/dbraw/zinc/50/02/10/823500210.db2.gz MTVMTWGNVHBTRH-UHFFFAOYSA-N 1 0 387.959 4.177 20 0 GIADRO O=C(C[NH2+]Cc1ccc(-c2ccc(C(F)(F)F)cc2)s1)NCc1ccco1 ZINC000030641864 820656879 /nfs/dbraw/zinc/65/68/79/820656879.db2.gz CYBFQXFHRUYMLD-UHFFFAOYSA-N 1 0 394.418 4.433 20 0 GIADRO Cc1cc(C[NH2+]Cc2ccc(-n3ccnc3)nc2)cc(C)c1OCc1ccccn1 ZINC000030654543 820659229 /nfs/dbraw/zinc/65/92/29/820659229.db2.gz IHCYZWZSJMAQHX-UHFFFAOYSA-N 1 0 399.498 4.148 20 0 GIADRO Cc1n[nH]cc1CCC[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000030667141 820661543 /nfs/dbraw/zinc/66/15/43/820661543.db2.gz LKEHSKCSYIBZHY-UHFFFAOYSA-N 1 0 391.544 4.414 20 0 GIADRO COc1ccc(C[NH2+]CCc2cc(F)ccc2F)cc1OCc1cccnc1 ZINC000177582282 823496165 /nfs/dbraw/zinc/49/61/65/823496165.db2.gz IUWMWMLWLSZLCR-UHFFFAOYSA-N 1 0 384.426 4.280 20 0 GIADRO CC(=O)Nc1ccc(OC[C@H](O)C[N@H+](Cc2ccccc2)C2CCCCC2)cc1 ZINC000059423135 823496192 /nfs/dbraw/zinc/49/61/92/823496192.db2.gz UUYBATSSVGZUGW-HSZRJFAPSA-N 1 0 396.531 4.220 20 0 GIADRO CCCOc1ccc(NC(=O)NC2CC[NH+](CCc3ccncc3)CC2)c(C)c1 ZINC000123324862 823496330 /nfs/dbraw/zinc/49/63/30/823496330.db2.gz JWMLMNNKSUELPR-UHFFFAOYSA-N 1 0 396.535 4.007 20 0 GIADRO CSc1cccc(N(C(=O)[C@H]2Cc3cccc(C)c3O2)C2CC[NH+](C)CC2)c1 ZINC000410467768 823497864 /nfs/dbraw/zinc/49/78/64/823497864.db2.gz LISHCSJRKOWFHC-OAQYLSRUSA-N 1 0 396.556 4.148 20 0 GIADRO Cc1ccc2cc(C[N@@H+]3CCCN(C(=O)CCc4ccccc4)CC3)ccc2n1 ZINC000189807052 823498383 /nfs/dbraw/zinc/49/83/83/823498383.db2.gz BSWIIBWVAJJWIU-UHFFFAOYSA-N 1 0 387.527 4.210 20 0 GIADRO CCCc1nc(C)c(C(=O)N(c2cccc(SC)c2)C2CC[NH+](C)CC2)o1 ZINC000410474767 823498375 /nfs/dbraw/zinc/49/83/75/823498375.db2.gz YLLOSZHQGVHJRQ-UHFFFAOYSA-N 1 0 387.549 4.398 20 0 GIADRO Cc1cc(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)ccc1NC(=O)CC(C)C ZINC000460731617 823498460 /nfs/dbraw/zinc/49/84/60/823498460.db2.gz UEZSWSFGLGEDDU-HDICACEKSA-N 1 0 387.568 4.077 20 0 GIADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)c2cccc3ccccc32)[C@H](C)C1 ZINC000410480481 823498588 /nfs/dbraw/zinc/49/85/88/823498588.db2.gz ARRMETJLQRGEQB-AUSIDOKSSA-N 1 0 396.575 4.371 20 0 GIADRO COc1ncccc1C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000030901371 820705218 /nfs/dbraw/zinc/70/52/18/820705218.db2.gz MMSSAJONDNZMCT-UHFFFAOYSA-N 1 0 390.512 4.353 20 0 GIADRO CN(c1ccccc1)c1ccc(C[NH2+]Cc2ccccc2Cn2cncn2)cc1 ZINC000030900799 820705415 /nfs/dbraw/zinc/70/54/15/820705415.db2.gz KMXGKGLGCLRNQE-UHFFFAOYSA-N 1 0 383.499 4.384 20 0 GIADRO C[C@@H](C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1)c1cccc(Cl)c1 ZINC000460733192 823499127 /nfs/dbraw/zinc/49/91/27/823499127.db2.gz QKYVLSDVIRZOLM-LJQANCHMSA-N 1 0 399.966 4.162 20 0 GIADRO O=C(NCc1ccc(F)cc1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000030989449 820717185 /nfs/dbraw/zinc/71/71/85/820717185.db2.gz RDDULBDKCNKQHK-LJQANCHMSA-N 1 0 375.875 4.115 20 0 GIADRO COc1ccc2cc(CNC(=O)NC[C@H](c3cccc(F)c3)[NH+](C)C)ccc2c1 ZINC000031032836 820725290 /nfs/dbraw/zinc/72/52/90/820725290.db2.gz SRDYEKKNGUVAPT-JOCHJYFZSA-N 1 0 395.478 4.090 20 0 GIADRO Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123346753 823499741 /nfs/dbraw/zinc/49/97/41/823499741.db2.gz HHSYXBHAUBMQAV-WBMJQRKESA-N 1 0 377.941 4.327 20 0 GIADRO Cc1ccc([C@H](CNC(=O)Nc2cnn([C@@H](C)C3CC3)c2)[NH+]2CCCC2)cc1 ZINC000189813360 823499960 /nfs/dbraw/zinc/49/99/60/823499960.db2.gz KYZGIIWQWNMLGF-UWJYYQICSA-N 1 0 381.524 4.121 20 0 GIADRO O=C(C[C@@H](Cc1ccccc1)c1ccccc1)N1CC[NH+](C2CCCC2)CC1 ZINC000460751459 823503976 /nfs/dbraw/zinc/50/39/76/823503976.db2.gz GUKZXGBHMFXUNS-HSZRJFAPSA-N 1 0 376.544 4.490 20 0 GIADRO O=C(NCc1ccc(COCC(F)(F)F)cc1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000177628456 823504073 /nfs/dbraw/zinc/50/40/73/823504073.db2.gz SCBRTZHHOWJKMO-GOSISDBHSA-N 1 0 398.469 4.036 20 0 GIADRO CC[C@@H](NC(=O)NCc1ccccc1C[NH+](CC)CC)c1ccccc1OC ZINC000031106094 820744348 /nfs/dbraw/zinc/74/43/48/820744348.db2.gz LNKNKELTEWAXNP-OAQYLSRUSA-N 1 0 383.536 4.488 20 0 GIADRO C[N@H+](CCCNC(=O)N[C@@H]1CCSc2c(F)cccc21)C1CCCCC1 ZINC000031106281 820744406 /nfs/dbraw/zinc/74/44/06/820744406.db2.gz IQWUFPUWISOYCO-GOSISDBHSA-N 1 0 379.545 4.316 20 0 GIADRO O=C(NCCc1ccc2ccccc2c1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000031124752 820747061 /nfs/dbraw/zinc/74/70/61/820747061.db2.gz MXUBOHIALUXCCM-UHFFFAOYSA-N 1 0 387.527 4.478 20 0 GIADRO C[C@@H](NC(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1ccccc1Cl ZINC000031148714 820754218 /nfs/dbraw/zinc/75/42/18/820754218.db2.gz NGDJNCVIFXEALG-QGZVFWFLSA-N 1 0 385.939 4.407 20 0 GIADRO C[C@@H](c1ccc(F)cc1)N(C)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000031149229 820754756 /nfs/dbraw/zinc/75/47/56/820754756.db2.gz IMIRAOBPBVUZEN-SFHVURJKSA-N 1 0 383.511 4.235 20 0 GIADRO CN(Cc1ccc(Cl)cc1)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000031149445 820754788 /nfs/dbraw/zinc/75/47/88/820754788.db2.gz DPSKRGJXECPSKJ-UHFFFAOYSA-N 1 0 385.939 4.189 20 0 GIADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000060061818 823506350 /nfs/dbraw/zinc/50/63/50/823506350.db2.gz SYFAKRDSLQMYPL-HZSPNIEDSA-N 1 0 391.364 4.019 20 0 GIADRO O=C(Nc1ccccc1)[C@H]1CCC[N@@H+](Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000177643891 823506403 /nfs/dbraw/zinc/50/64/03/823506403.db2.gz PQXGHLGHFTUYGR-KRWDZBQOSA-N 1 0 379.435 4.331 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)N(C)Cc1ccc(OC)c(F)c1)c1ccsc1 ZINC000031193816 820765490 /nfs/dbraw/zinc/76/54/90/820765490.db2.gz RGTPQFJCEROAMV-SFHVURJKSA-N 1 0 393.528 4.120 20 0 GIADRO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N1CCC(CCC[NH+](C)C)CC1 ZINC000123363060 823501680 /nfs/dbraw/zinc/50/16/80/823501680.db2.gz MNYHZRJIVJZLSW-CQSZACIVSA-N 1 0 386.367 4.374 20 0 GIADRO Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1ccccc1C[NH+](C)C ZINC000031230938 820775177 /nfs/dbraw/zinc/77/51/77/820775177.db2.gz DGHHRFWSJRDBHI-UHFFFAOYSA-N 1 0 383.492 4.495 20 0 GIADRO C[C@@H]1CCC[C@](CNC(=O)c2ccc(COc3ccc(F)cc3)o2)([NH+](C)C)C1 ZINC000059890586 823501787 /nfs/dbraw/zinc/50/17/87/823501787.db2.gz LVLWZQAGKHGBJZ-ZHRRBRCNSA-N 1 0 388.483 4.238 20 0 GIADRO Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000031237752 820776526 /nfs/dbraw/zinc/77/65/26/820776526.db2.gz JBTQINVPBIRXJW-UHFFFAOYSA-N 1 0 383.492 4.495 20 0 GIADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2c(F)ccc(SCC3CC3)c2F)C1 ZINC000410591079 823505817 /nfs/dbraw/zinc/50/58/17/823505817.db2.gz PMWFDAHINGHDCT-HOCLYGCPSA-N 1 0 380.504 4.023 20 0 GIADRO COc1cccc([C@@H](C)CC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000177618311 823502372 /nfs/dbraw/zinc/50/23/72/823502372.db2.gz VDSQQGGEMHONOS-IBGZPJMESA-N 1 0 380.532 4.217 20 0 GIADRO COc1ccc(C[N@H+](Cc2cccc(C(N)=O)c2)C2CCCCC2)cc1OC ZINC000123371044 823502496 /nfs/dbraw/zinc/50/24/96/823502496.db2.gz VDFRRIUFPCKQBZ-UHFFFAOYSA-N 1 0 382.504 4.138 20 0 GIADRO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000059923390 823502864 /nfs/dbraw/zinc/50/28/64/823502864.db2.gz FHNBHHNTXJSOBU-UHFFFAOYSA-N 1 0 391.874 4.143 20 0 GIADRO Cc1ccc(NC(=O)C2(CNC(=O)C3CC[NH+](C(C)C)CC3)CCCC2)cc1C ZINC000177621453 823502965 /nfs/dbraw/zinc/50/29/65/823502965.db2.gz DYJDFINITILGKY-UHFFFAOYSA-N 1 0 399.579 4.039 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@@H](C[C@H](C)O)c1ccccc1)CC3 ZINC000123376797 823503131 /nfs/dbraw/zinc/50/31/31/823503131.db2.gz LOLNRNVPEJCXQM-QXAKKESOSA-N 1 0 378.516 4.178 20 0 GIADRO CCc1cc(N2CCC[C@@H](c3nnc4n3CCCCC4)C2)c2ccccc2[nH+]1 ZINC000123382637 823503740 /nfs/dbraw/zinc/50/37/40/823503740.db2.gz ZIJOHDGVXLSHAV-QGZVFWFLSA-N 1 0 375.520 4.499 20 0 GIADRO C[C@@H]1C[C@H](CCNC(=O)c2scnc2C(F)(F)F)C[N@@H+]1Cc1ccccc1 ZINC000410617302 823506479 /nfs/dbraw/zinc/50/64/79/823506479.db2.gz WTMSCGFMCHYABZ-HIFRSBDPSA-N 1 0 397.466 4.192 20 0 GIADRO COC(=O)c1ccc(C[NH+](Cc2ccc(C(=O)OC)o2)[C@@H]2CCC[C@@H](C)C2)o1 ZINC000031471821 820815521 /nfs/dbraw/zinc/81/55/21/820815521.db2.gz LBKVEXASEUTNHV-HUUCEWRRSA-N 1 0 389.448 4.027 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]CCOCC(F)(F)C(F)(F)F)cc1 ZINC000189858521 823506914 /nfs/dbraw/zinc/50/69/14/823506914.db2.gz MZSJBXCYZYGOFX-GFCCVEGCSA-N 1 0 377.357 4.046 20 0 GIADRO Cc1noc(C)c1CCCNC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000123472360 823512520 /nfs/dbraw/zinc/51/25/20/823512520.db2.gz VDBULYGFZGIEAF-UHFFFAOYSA-N 1 0 398.551 4.099 20 0 GIADRO O=C(C[C@H](Cc1ccccc1)c1ccccc1)NCCc1cn2c(n1)CCCC2 ZINC000460768838 823507232 /nfs/dbraw/zinc/50/72/32/823507232.db2.gz GNFDDMMYUUVWJK-QFIPXVFZSA-N 1 0 387.527 4.295 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)Sc2ccnc3cc(Cl)ccc32)C1 ZINC000177653000 823507675 /nfs/dbraw/zinc/50/76/75/823507675.db2.gz JVNZEKVWCGMLIC-CABCVRRESA-N 1 0 391.968 4.169 20 0 GIADRO Cc1noc(Cl)c1CCC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000060099370 823508261 /nfs/dbraw/zinc/50/82/61/823508261.db2.gz KLFANNIJGUOCDC-KRWDZBQOSA-N 1 0 396.318 4.176 20 0 GIADRO O=C(CCc1cnn(-c2ccccc2)c1)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000031620464 820835363 /nfs/dbraw/zinc/83/53/63/820835363.db2.gz FDGFVROBKGLGIJ-UHFFFAOYSA-N 1 0 388.515 4.430 20 0 GIADRO O=C(COCc1nc2ccccc2s1)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000031620732 820835529 /nfs/dbraw/zinc/83/55/29/820835529.db2.gz KENCYZRTSNHZIH-UHFFFAOYSA-N 1 0 395.528 4.438 20 0 GIADRO Cc1ccc(-c2ocnc2C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000460786245 823512010 /nfs/dbraw/zinc/51/20/10/823512010.db2.gz JGIYFQVPEFSXAE-UHFFFAOYSA-N 1 0 375.472 4.176 20 0 GIADRO Cc1nc(C)c(C[NH2+]C[C@H]2CCN(c3cccc(Br)c3)C2)s1 ZINC000123441867 823509320 /nfs/dbraw/zinc/50/93/20/823509320.db2.gz ANOILXFJOQLMNT-CQSZACIVSA-N 1 0 380.355 4.139 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)NCc1ccc(C)c(F)c1)c1cccc(OC)c1 ZINC000031728717 820852822 /nfs/dbraw/zinc/85/28/22/820852822.db2.gz NFMPWXTXKXXGSN-OAQYLSRUSA-N 1 0 387.499 4.025 20 0 GIADRO C[C@@H](C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)n1cnc2ccccc21 ZINC000031810598 820863542 /nfs/dbraw/zinc/86/35/42/820863542.db2.gz JOKVDLYOPAFOHV-HRAATJIYSA-N 1 0 396.922 4.204 20 0 GIADRO CC(C)[C@@H](CNC(=O)c1ccc(OCc2ccncc2)cc1)[NH+]1CCC(C)CC1 ZINC000031900642 820872706 /nfs/dbraw/zinc/87/27/06/820872706.db2.gz OSAOKPPZRRHREI-HSZRJFAPSA-N 1 0 395.547 4.147 20 0 GIADRO O=C(N[C@@H](c1cccc(Cl)c1)c1ccccn1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000177667547 823510953 /nfs/dbraw/zinc/51/09/53/823510953.db2.gz BBFCSGBOSKWKII-FPOVZHCZSA-N 1 0 398.938 4.094 20 0 GIADRO CCOc1cccc([C@@H](C)NC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)c1 ZINC000060185079 823511115 /nfs/dbraw/zinc/51/11/15/823511115.db2.gz RHUXYCWIRLZPET-XLIONFOSSA-N 1 0 384.495 4.314 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(-c2ccccc2OC)on1)c1ccsc1 ZINC000031983270 820882729 /nfs/dbraw/zinc/88/27/29/820882729.db2.gz UVYHRKUQQLTUST-SFHVURJKSA-N 1 0 399.516 4.225 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Cc1cc(Cl)ccc1OC)c1ccsc1 ZINC000031985796 820884232 /nfs/dbraw/zinc/88/42/32/820884232.db2.gz XUBWGBZVOGZCQP-QGZVFWFLSA-N 1 0 380.941 4.152 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Cc1ccc(Br)cc1)c1ccsc1 ZINC000031987248 820885237 /nfs/dbraw/zinc/88/52/37/820885237.db2.gz VIJUGCPLMGTPAY-QGZVFWFLSA-N 1 0 395.366 4.252 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)COc1cccc2ccccc21)c1ccsc1 ZINC000031988934 820885972 /nfs/dbraw/zinc/88/59/72/820885972.db2.gz TZZMNPAQXIREAI-HXUWFJFHSA-N 1 0 382.529 4.479 20 0 GIADRO CC(C)(C)c1cc(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)no1 ZINC000460790163 823513126 /nfs/dbraw/zinc/51/31/26/823513126.db2.gz LFTJQFQVECFZPC-UHFFFAOYSA-N 1 0 375.900 4.020 20 0 GIADRO C[C@H](Oc1cccc(Cl)c1)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000060244136 823513216 /nfs/dbraw/zinc/51/32/16/823513216.db2.gz PVOKFZAEJYXVIH-JKSUJKDBSA-N 1 0 392.952 4.197 20 0 GIADRO O=C(Nc1cccc(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1)C1CCCC1 ZINC000177685534 823513310 /nfs/dbraw/zinc/51/33/10/823513310.db2.gz YKXAUTUJNQSCLT-HXUWFJFHSA-N 1 0 397.563 4.086 20 0 GIADRO CCOC(=O)c1csc(CC[NH2+][C@@H](CC)c2ccc(Br)cc2)n1 ZINC000189914733 823513377 /nfs/dbraw/zinc/51/33/77/823513377.db2.gz BKPGHIXWIPTZMF-AWEZNQCLSA-N 1 0 397.338 4.366 20 0 GIADRO O=C(CC[N@@H+](Cc1cccc(F)c1)C[C@H]1CCCO1)Nc1ccccc1Cl ZINC000060269405 823513811 /nfs/dbraw/zinc/51/38/11/823513811.db2.gz AKVLESCORNUPPR-GOSISDBHSA-N 1 0 390.886 4.489 20 0 GIADRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccccc1C(=O)c1ccccc1 ZINC000032217557 820903446 /nfs/dbraw/zinc/90/34/46/820903446.db2.gz NRJONODYKCTXRK-DEOSSOPVSA-N 1 0 398.506 4.485 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Cc1noc2ccccc21)c1ccccc1Cl ZINC000032316953 820914097 /nfs/dbraw/zinc/91/40/97/820914097.db2.gz WMYAOCYNAUDMOL-IBGZPJMESA-N 1 0 385.895 4.223 20 0 GIADRO Cc1nn(Cc2ccccc2Cl)c(Cl)c1C[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000189935273 823515449 /nfs/dbraw/zinc/51/54/49/823515449.db2.gz ORSGNCQXNKTKEP-RDTXWAMCSA-N 1 0 382.335 4.187 20 0 GIADRO COc1cc(C[NH2+]Cc2ccccc2CO)ccc1OCc1ccc(F)cc1 ZINC000123513032 823516258 /nfs/dbraw/zinc/51/62/58/823516258.db2.gz VULIMIYUSZJNSE-UHFFFAOYSA-N 1 0 381.447 4.195 20 0 GIADRO CC[C@@H](CNC(=O)Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000032447023 820945732 /nfs/dbraw/zinc/94/57/32/820945732.db2.gz UNYFGKBITUPQJV-FQEVSTJZSA-N 1 0 390.449 4.201 20 0 GIADRO CCCn1ncc(C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)c1C1CC1 ZINC000123516416 823516457 /nfs/dbraw/zinc/51/64/57/823516457.db2.gz MFPKVWJKKWFZQU-UHFFFAOYSA-N 1 0 394.563 4.332 20 0 GIADRO CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc2[nH]c(Cc3ccccc3F)nc2c1 ZINC000060335698 823516538 /nfs/dbraw/zinc/51/65/38/823516538.db2.gz ZXALTLFXFUEUPP-HXUWFJFHSA-N 1 0 380.467 4.106 20 0 GIADRO C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000032480478 820956368 /nfs/dbraw/zinc/95/63/68/820956368.db2.gz KTRZSDRILZKUKO-CZUORRHYSA-N 1 0 381.303 4.180 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)CCCc1ncc(-c2ccccc2)o1)c1cccc(F)c1 ZINC000032483716 820956841 /nfs/dbraw/zinc/95/68/41/820956841.db2.gz QBNSKDNFLZGEIF-FQEVSTJZSA-N 1 0 395.478 4.223 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)c(F)c1)CC3 ZINC000123521146 823517073 /nfs/dbraw/zinc/51/70/73/823517073.db2.gz YQSQBYMDVIZKDI-ZSEKCTLFSA-N 1 0 388.870 4.150 20 0 GIADRO Cc1ccc(CCC(=O)N[C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c(C)c1 ZINC000060344036 823517455 /nfs/dbraw/zinc/51/74/55/823517455.db2.gz MIPCMYXSZSOEJQ-LJQANCHMSA-N 1 0 397.538 4.004 20 0 GIADRO COc1ccc([C@@H](CNc2ccc(C#N)cc2[N+](=O)[O-])[NH+]2CCCCC2)cc1 ZINC000032533949 820966004 /nfs/dbraw/zinc/96/60/04/820966004.db2.gz UUXYVBJDIONQKA-OAQYLSRUSA-N 1 0 380.448 4.114 20 0 GIADRO CCCCO[C@H]1C[C@@H](N(C)Cc2csc(N(C(C)=O)C3CC3)n2)C1(C)C ZINC000177735829 823518549 /nfs/dbraw/zinc/51/85/49/823518549.db2.gz JXJLADYGVVDTBN-MSOLQXFVSA-N 1 0 379.570 4.074 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)c2ccc(Oc3cccnc3)cc2)[NH+]2CCCC2)o1 ZINC000060354857 823518793 /nfs/dbraw/zinc/51/87/93/823518793.db2.gz UCRFQVTUDIBKAA-OAQYLSRUSA-N 1 0 391.471 4.342 20 0 GIADRO Cc1ccc([C@H](CNC(=O)c2cccnc2SC(F)(F)F)[NH+]2CCCC2)o1 ZINC000060354880 823518818 /nfs/dbraw/zinc/51/88/18/823518818.db2.gz RELJZVQKZJOMOP-AWEZNQCLSA-N 1 0 399.438 4.162 20 0 GIADRO Cc1cc(C)n(-c2ccccc2C[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)n1 ZINC000123540969 823519340 /nfs/dbraw/zinc/51/93/40/823519340.db2.gz ROKVRRBLIPKMGS-LJQANCHMSA-N 1 0 388.515 4.467 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)Cc2nc(-c3cccs3)oc2C)CC1 ZINC000123543469 823519538 /nfs/dbraw/zinc/51/95/38/823519538.db2.gz AZLLFMCZHUNZPY-UHFFFAOYSA-N 1 0 389.565 4.225 20 0 GIADRO O=C(N[C@@H](c1cccs1)c1ccc2c(c1)CCCC2)[C@@H]1CCn2cncc2C1 ZINC000123550763 823520331 /nfs/dbraw/zinc/52/03/31/823520331.db2.gz BXUNRFOMVSMAFZ-DENIHFKCSA-N 1 0 391.540 4.292 20 0 GIADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2(c3cccc(Cl)c3)CCOCC2)C1 ZINC000060366894 823520333 /nfs/dbraw/zinc/52/03/33/823520333.db2.gz GKICIDGNKNYPAV-QGZVFWFLSA-N 1 0 392.971 4.015 20 0 GIADRO COc1cc(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)ccc1OCc1ccccc1 ZINC000032731673 820998737 /nfs/dbraw/zinc/99/87/37/820998737.db2.gz QXUMVIFBLHDMBD-RBUKOAKNSA-N 1 0 396.531 4.267 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1csc(-c2ccc(F)cc2)n1)c1cccc(F)c1 ZINC000032729772 820998867 /nfs/dbraw/zinc/99/88/67/820998867.db2.gz DIUWAAGPMOAUMR-GOSISDBHSA-N 1 0 387.455 4.121 20 0 GIADRO CCc1ccc([C@H](CNC(=O)Cc2nc(-c3ccccc3)oc2C)[NH+](C)C)cc1 ZINC000032734325 821000093 /nfs/dbraw/zinc/00/00/93/821000093.db2.gz NSPZXXNXDCWMSX-QFIPXVFZSA-N 1 0 391.515 4.174 20 0 GIADRO C[C@@H](CNC(=O)c1cc2ccccc2cc1NC(=O)C1CC1)[N@@H+]1CCCC[C@H]1C ZINC000032735101 821000825 /nfs/dbraw/zinc/00/08/25/821000825.db2.gz FVUQQRZRSPOPOJ-SJORKVTESA-N 1 0 393.531 4.181 20 0 GIADRO COCCOc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)cc1 ZINC000177752450 823520622 /nfs/dbraw/zinc/52/06/22/823520622.db2.gz LKKXYIUSDJINSN-SJORKVTESA-N 1 0 384.476 4.080 20 0 GIADRO COCCOc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)cc1 ZINC000177752435 823520635 /nfs/dbraw/zinc/52/06/35/823520635.db2.gz LKKXYIUSDJINSN-IRXDYDNUSA-N 1 0 384.476 4.080 20 0 GIADRO C[C@@H](CNC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1)[N@@H+]1CCCC[C@H]1C ZINC000032737586 821002050 /nfs/dbraw/zinc/00/20/50/821002050.db2.gz OMJUJRSSWYWJAM-SJORKVTESA-N 1 0 397.494 4.071 20 0 GIADRO COc1ccc([C@H](C)[NH2+]Cc2ccccc2-n2nc(C)cc2C)cc1NC(C)=O ZINC000123553679 823520784 /nfs/dbraw/zinc/52/07/84/823520784.db2.gz XFTLXMRSYTZNPX-KRWDZBQOSA-N 1 0 392.503 4.307 20 0 GIADRO CC[N@H+](CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2)Cc1ccccc1 ZINC000032758289 821003718 /nfs/dbraw/zinc/00/37/18/821003718.db2.gz MRVGJIMWVKWBCV-NRFANRHFSA-N 1 0 394.515 4.034 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)c2cnc(Cc3ccc(F)cc3)s2)[NH+](C)C)cc1 ZINC000060373713 823521159 /nfs/dbraw/zinc/52/11/59/823521159.db2.gz MGFOEEWSRNAAOY-LJQANCHMSA-N 1 0 397.519 4.214 20 0 GIADRO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)C/C=C/c1ccc(F)cc1 ZINC000189983454 823521627 /nfs/dbraw/zinc/52/16/27/823521627.db2.gz QCMKHXYMSWQTSX-UKINESCASA-N 1 0 388.508 4.072 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1cccc(NC(=O)[C@H]2C[C@@H]2C)c1)c1ccccc1 ZINC000032950224 821022097 /nfs/dbraw/zinc/02/20/97/821022097.db2.gz UHLVIWXSNKNEGV-BULFRSBZSA-N 1 0 393.531 4.094 20 0 GIADRO Brc1ccc(-c2noc([C@H]3CCC[N@H+](Cc4ccccc4)C3)n2)nc1 ZINC000460822455 823522135 /nfs/dbraw/zinc/52/21/35/823522135.db2.gz LTZSFXWCFRESMJ-HNNXBMFYSA-N 1 0 399.292 4.274 20 0 GIADRO COc1ccc2cc([C@H](C)C(=O)NCc3cccc(C[NH+](C)C)c3)ccc2c1 ZINC000033084371 821031957 /nfs/dbraw/zinc/03/19/57/821031957.db2.gz FNZCMNVHMMECGI-KRWDZBQOSA-N 1 0 376.500 4.330 20 0 GIADRO CCO[C@H]1C[C@@](CO)([NH2+]CC(=O)Nc2c(C(C)C)cccc2C(C)C)C1(C)C ZINC000189995032 823523215 /nfs/dbraw/zinc/52/32/15/823523215.db2.gz OMZSYNZRFUIQFX-CVDCTZTESA-N 1 0 390.568 4.028 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)c2ccc(Br)cc2Cl)CC1 ZINC000060394764 823523325 /nfs/dbraw/zinc/52/33/25/823523325.db2.gz UDYSFRJAZRGEEN-UHFFFAOYSA-N 1 0 387.749 4.295 20 0 GIADRO CCCc1noc2nc(C3CC3)cc(C(=O)N3CCC(C[N@H+](C)C(C)C)CC3)c12 ZINC000060394597 823523335 /nfs/dbraw/zinc/52/33/35/823523335.db2.gz BEIVHNMRVBSTOA-UHFFFAOYSA-N 1 0 398.551 4.245 20 0 GIADRO CSC1(CNC(=O)NCc2ccc(-c3ccccc3)c(C)c2)CC[NH+](C)CC1 ZINC000460846504 823527444 /nfs/dbraw/zinc/52/74/44/823527444.db2.gz MLIAPPAZUUPAQX-UHFFFAOYSA-N 1 0 397.588 4.289 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=S)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000060436012 823527439 /nfs/dbraw/zinc/52/74/39/823527439.db2.gz SMOMSFPNTSNOLN-UHFFFAOYSA-N 1 0 375.460 4.088 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1ccccc1OCc1ccc(F)cc1)c1cccs1 ZINC000033471542 821055990 /nfs/dbraw/zinc/05/59/90/821055990.db2.gz MLKKCVWDLUJUFM-LJQANCHMSA-N 1 0 398.503 4.499 20 0 GIADRO O=C(NCC[NH+]1CCCC1)c1cc(-c2ccccc2Cl)nc2ccccc21 ZINC000035216941 821064497 /nfs/dbraw/zinc/06/44/97/821064497.db2.gz SPZRGSSVBLDBCG-UHFFFAOYSA-N 1 0 379.891 4.381 20 0 GIADRO CC(C)c1cccc(C(C)C)c1NC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000190034318 823528869 /nfs/dbraw/zinc/52/88/69/823528869.db2.gz CUQHRZJJTKJTMU-QGZVFWFLSA-N 1 0 375.557 4.242 20 0 GIADRO COc1ccc2oc([C@H](C)[NH2+]CCCS(=O)(=O)c3ccccc3)c(C)c2c1 ZINC000177811993 823528964 /nfs/dbraw/zinc/52/89/64/823528964.db2.gz SBUFFHHEKBLPIZ-INIZCTEOSA-N 1 0 387.501 4.264 20 0 GIADRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccc(OC(F)(F)F)cc1 ZINC000036659951 821074336 /nfs/dbraw/zinc/07/43/36/821074336.db2.gz KYGQAOBKEZWQFT-SFHVURJKSA-N 1 0 378.394 4.152 20 0 GIADRO CC[C@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)c1cccc(Br)c1 ZINC000177776855 823524584 /nfs/dbraw/zinc/52/45/84/823524584.db2.gz ZKVDXIUGWMSGQJ-IBGZPJMESA-N 1 0 385.309 4.330 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)c1nc(-c2ccccc2)cs1 ZINC000177777167 823524782 /nfs/dbraw/zinc/52/47/82/823524782.db2.gz XVYDUWQBXZBMCU-INIZCTEOSA-N 1 0 375.501 4.301 20 0 GIADRO Cn1c(C[NH2+]C2(C)CCN(C(=O)OC(C)(C)C)CC2)nc2cc(Cl)ccc21 ZINC000190008236 823524897 /nfs/dbraw/zinc/52/48/97/823524897.db2.gz ORWCXVOWFMQYMH-UHFFFAOYSA-N 1 0 392.931 4.106 20 0 GIADRO O=C(Cc1coc2cc3c(cc12)CCC3)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000036883695 821088977 /nfs/dbraw/zinc/08/89/77/821088977.db2.gz IIVPWDQBXKFHGX-HSZRJFAPSA-N 1 0 388.511 4.417 20 0 GIADRO COCCc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000190009765 823525107 /nfs/dbraw/zinc/52/51/07/823525107.db2.gz ACJAEOTYBOPUHO-IBGZPJMESA-N 1 0 380.532 4.157 20 0 GIADRO C/C=C/c1ccc(OCC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c(OC)c1 ZINC000036883697 821089034 /nfs/dbraw/zinc/08/90/34/821089034.db2.gz XLLBWOCUQANZMZ-XFHFFWBUSA-N 1 0 394.515 4.060 20 0 GIADRO COc1cc(F)c([C@@H](C)[NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)cc1OC ZINC000177780045 823525328 /nfs/dbraw/zinc/52/53/28/823525328.db2.gz NHDMQOITRCXGNV-BDJLRTHQSA-N 1 0 387.373 4.246 20 0 GIADRO O[C@H](C[NH2+]Cc1ccc(Br)s1)c1cccc(C(F)(F)F)c1 ZINC000037998537 821094152 /nfs/dbraw/zinc/09/41/52/821094152.db2.gz JCZJSXWLLCPLKW-GFCCVEGCSA-N 1 0 380.229 4.353 20 0 GIADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CC[C@H](C)c1ccccc1 ZINC000123659148 823529656 /nfs/dbraw/zinc/52/96/56/823529656.db2.gz JQHKFVZQAGUXRC-IBGZPJMESA-N 1 0 395.547 4.360 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)c2c(F)c(F)cc(F)c2F)[NH+]2CCCC2)cc1 ZINC000177782613 823525576 /nfs/dbraw/zinc/52/55/76/823525576.db2.gz YXKHZGQWKJYAMM-MRXNPFEDSA-N 1 0 380.385 4.118 20 0 GIADRO COc1ccc(SCC(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)cc1 ZINC000060425891 823525686 /nfs/dbraw/zinc/52/56/86/823525686.db2.gz WABSKUDBCKJTHH-GOSISDBHSA-N 1 0 398.572 4.478 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)c1c(F)c(F)cc(F)c1F ZINC000177783019 823525786 /nfs/dbraw/zinc/52/57/86/823525786.db2.gz NSMPUJJAUGYBEA-UHFFFAOYSA-N 1 0 398.425 4.087 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(Cl)c(OCC(C)C)c(OC)c1 ZINC000177783727 823525817 /nfs/dbraw/zinc/52/58/17/823525817.db2.gz CKSMHSSZUOMEPP-SJORKVTESA-N 1 0 394.943 4.082 20 0 GIADRO O=C(Nc1ccc2c(c1)OCO2)C1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000038849350 821100357 /nfs/dbraw/zinc/10/03/57/821100357.db2.gz BSWHYXQFUJEQGQ-UHFFFAOYSA-N 1 0 388.467 4.419 20 0 GIADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(F)c(F)c2)CC1 ZINC000039516390 821109065 /nfs/dbraw/zinc/10/90/65/821109065.db2.gz UIQRSSUVVOXUPE-UHFFFAOYSA-N 1 0 379.838 4.012 20 0 GIADRO CC(C)Cn1c(C2CCC2)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000460866244 823532292 /nfs/dbraw/zinc/53/22/92/823532292.db2.gz XVSFPXPHGYVDJL-UHFFFAOYSA-N 1 0 381.568 4.302 20 0 GIADRO CCOc1ccc(C(=O)N2CCC([NH2+][C@@H](C)c3sc(C)nc3C)CC2)cc1 ZINC000177829293 823532452 /nfs/dbraw/zinc/53/24/52/823532452.db2.gz NSLRPGHXYOMVDX-HNNXBMFYSA-N 1 0 387.549 4.114 20 0 GIADRO CCOc1ccc(C(=O)N2CCC([NH2+][C@@H](C)Cc3ccc(F)cc3)CC2)cc1 ZINC000177829262 823532480 /nfs/dbraw/zinc/53/24/80/823532480.db2.gz MRONASDSKDIUBS-KRWDZBQOSA-N 1 0 384.495 4.050 20 0 GIADRO O=C(Nc1ccc(Br)cc1Cl)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000124221780 823578639 /nfs/dbraw/zinc/57/86/39/823578639.db2.gz NMNOQXSJCXZDCT-CYBMUJFWSA-N 1 0 386.721 4.195 20 0 GIADRO C[C@@H](C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1)c1ccc(F)c(F)c1 ZINC000460869075 823532824 /nfs/dbraw/zinc/53/28/24/823532824.db2.gz FMFDLLYOENHSLJ-QGZVFWFLSA-N 1 0 386.486 4.439 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)CCCOc1ccccc1)[NH+]1CCCCC1 ZINC000040615259 821162190 /nfs/dbraw/zinc/16/21/90/821162190.db2.gz VWNRFYPNTAUAOJ-JOCHJYFZSA-N 1 0 396.531 4.198 20 0 GIADRO O=C(CC[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1)N1CCc2ccccc21 ZINC000060482740 823533107 /nfs/dbraw/zinc/53/31/07/823533107.db2.gz CZOSBKNGEFGVKG-UHFFFAOYSA-N 1 0 396.918 4.214 20 0 GIADRO CC1CC[NH+]([C@H](CNC(=O)CCC(=O)c2ccc(F)cc2)c2ccccc2)CC1 ZINC000040654480 821164096 /nfs/dbraw/zinc/16/40/96/821164096.db2.gz SLJDHLJGPRYQKF-JOCHJYFZSA-N 1 0 396.506 4.378 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)CCc1ncc(-c2ccccc2)o1)c1ccc(Cl)cc1 ZINC000041020095 821167167 /nfs/dbraw/zinc/16/71/67/821167167.db2.gz KEFYNPFKDJJJPP-IBGZPJMESA-N 1 0 397.906 4.347 20 0 GIADRO Cc1ccc(Br)cc1C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000460883209 823535724 /nfs/dbraw/zinc/53/57/24/823535724.db2.gz MQUVZZFSFTVLAK-QGZVFWFLSA-N 1 0 393.369 4.486 20 0 GIADRO C[C@H](C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)c1ccc(F)c(F)c1 ZINC000460872786 823533551 /nfs/dbraw/zinc/53/35/51/823533551.db2.gz QWUBBLYARJWVEU-SFHVURJKSA-N 1 0 386.486 4.235 20 0 GIADRO C[C@@H](C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)c1ccc(F)c(F)c1 ZINC000460872785 823533575 /nfs/dbraw/zinc/53/35/75/823533575.db2.gz QWUBBLYARJWVEU-GOSISDBHSA-N 1 0 386.486 4.235 20 0 GIADRO COc1ccc([C@H](CNC(=O)c2cc3cccc(C)c3o2)[NH+]2CCCC2)cc1 ZINC000041330232 821183124 /nfs/dbraw/zinc/18/31/24/821183124.db2.gz JROGGTALOCFPAY-FQEVSTJZSA-N 1 0 378.472 4.317 20 0 GIADRO COc1ccc(C[C@H]([NH2+]Cc2cccc(CO)c2)c2ccc(OC)cc2)cc1 ZINC000177840485 823534566 /nfs/dbraw/zinc/53/45/66/823534566.db2.gz JZTDGZLQTWJKRP-DEOSSOPVSA-N 1 0 377.484 4.270 20 0 GIADRO O=C(Cc1c[nH]c2ccccc12)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000041400524 821188792 /nfs/dbraw/zinc/18/87/92/821188792.db2.gz XZWJVTYNRFGHJN-OAQYLSRUSA-N 1 0 381.907 4.317 20 0 GIADRO CCCCN(C(=O)[C@@H](C)Cc1c(C)nn(C)c1C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000460880032 823535178 /nfs/dbraw/zinc/53/51/78/823535178.db2.gz YUTWRDSAEDMASO-INIZCTEOSA-N 1 0 390.616 4.153 20 0 GIADRO CCc1ccc([C@H](CNC(=O)c2nc(-c3cccs3)oc2C)[NH+](C)C)cc1 ZINC000060501670 823535251 /nfs/dbraw/zinc/53/52/51/823535251.db2.gz NCMWYENTBPLQPP-KRWDZBQOSA-N 1 0 383.517 4.307 20 0 GIADRO C[C@H]([NH2+]C1CCN(C(=O)c2ccccc2)CC1)c1ccc(Br)s1 ZINC000177853501 823536605 /nfs/dbraw/zinc/53/66/05/823536605.db2.gz LVLRYGRWUPJHPX-ZDUSSCGKSA-N 1 0 393.350 4.466 20 0 GIADRO C[C@H]([NH2+]CCc1ccccn1)c1ccc(Br)cc1Br ZINC000041640941 821215129 /nfs/dbraw/zinc/21/51/29/821215129.db2.gz RERILXFVOFINSN-NSHDSACASA-N 1 0 384.115 4.500 20 0 GIADRO C[C@@H]([NH2+]CCCn1ccnc1)c1ccc(Br)cc1Br ZINC000041641726 821215171 /nfs/dbraw/zinc/21/51/71/821215171.db2.gz UCRYZJDANGXHEJ-LLVKDONJSA-N 1 0 387.119 4.149 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)Cn1ccnc1)c1ccc(Br)cc1Br ZINC000041650560 821215738 /nfs/dbraw/zinc/21/57/38/821215738.db2.gz XKMQJULOLUFQAU-WDEREUQCSA-N 1 0 387.119 4.147 20 0 GIADRO Cc1cccc(NC(=S)NCCCC[NH+]2CCN(c3cccc(C)c3)CC2)c1 ZINC000041741253 821220963 /nfs/dbraw/zinc/22/09/63/821220963.db2.gz IBXGPEGWUDPESC-UHFFFAOYSA-N 1 0 396.604 4.192 20 0 GIADRO CC(=O)c1ccc(NC(=S)N2CCC[N@H+](Cc3ccccc3C)CC2)cc1 ZINC000041742902 821221277 /nfs/dbraw/zinc/22/12/77/821221277.db2.gz UPOQIUOGUKZRPR-UHFFFAOYSA-N 1 0 381.545 4.102 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](CCc2ccccc2)c2ccccc2)C1 ZINC000177859069 823537340 /nfs/dbraw/zinc/53/73/40/823537340.db2.gz DGSJCMRNXPTSEE-GMAHTHKFSA-N 1 0 379.548 4.344 20 0 GIADRO C[N@@H+]1CC[C@H](CNC(=O)c2ccc3[nH]ccc3c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123752211 823537461 /nfs/dbraw/zinc/53/74/61/823537461.db2.gz OAXHJRRTFWKXCW-UZLBHIALSA-N 1 0 385.870 4.383 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@H](C)c2cc(C)sc2C)c1 ZINC000041761052 821224332 /nfs/dbraw/zinc/22/43/32/821224332.db2.gz UQFVFFULIQUDSR-OAHLLOKOSA-N 1 0 387.549 4.023 20 0 GIADRO C[N@@H+]1CCCC[C@H]1CCSc1nc2ccccc2c(=O)n1Cc1ccco1 ZINC000041771286 821227393 /nfs/dbraw/zinc/22/73/93/821227393.db2.gz VPDDWPDXKXWREZ-INIZCTEOSA-N 1 0 383.517 4.004 20 0 GIADRO Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000041798295 821231586 /nfs/dbraw/zinc/23/15/86/821231586.db2.gz XTEFJHOXPSXHDD-UHFFFAOYSA-N 1 0 379.570 4.035 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)Nc2nc3cc(OC)c(OC)cc3s2)o1 ZINC000041820546 821234108 /nfs/dbraw/zinc/23/41/08/821234108.db2.gz ZIOCCJQWQQLDTP-UHFFFAOYSA-N 1 0 389.477 4.001 20 0 GIADRO C[N@@H+]1CC[C@H](CNC(=O)CCOc2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123763126 823538654 /nfs/dbraw/zinc/53/86/54/823538654.db2.gz RQJNLTFGDNQBTF-IERDGZPVSA-N 1 0 390.886 4.057 20 0 GIADRO COc1cc([C@H](C)[NH2+]C2CCN(Cc3ccccn3)CC2)ccc1OCC(C)C ZINC000177868492 823538742 /nfs/dbraw/zinc/53/87/42/823538742.db2.gz ZKEIAVKJOARDEW-IBGZPJMESA-N 1 0 397.563 4.440 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)c1c(C)[nH]c2ccccc21)[NH+]1CCCC1 ZINC000041949681 821249225 /nfs/dbraw/zinc/24/92/25/821249225.db2.gz MEXJGUVVEJJSDZ-HXUWFJFHSA-N 1 0 377.488 4.052 20 0 GIADRO COCc1cccc(C(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000123767816 823539097 /nfs/dbraw/zinc/53/90/97/823539097.db2.gz VALICNFLRSNEPB-XLIONFOSSA-N 1 0 390.886 4.048 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@H]2c2ccc(OC)c(OC)c2)o1 ZINC000042062979 821259114 /nfs/dbraw/zinc/25/91/14/821259114.db2.gz SRPLJLKWRWHPKT-SFHVURJKSA-N 1 0 386.492 4.116 20 0 GIADRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ncoc1-c1ccccc1Cl ZINC000460907610 823539730 /nfs/dbraw/zinc/53/97/30/823539730.db2.gz LFLLGXQJRSNKQC-OAHLLOKOSA-N 1 0 375.900 4.379 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2cccc(C(=O)N3CCCCC3)c2)c1 ZINC000177874299 823539743 /nfs/dbraw/zinc/53/97/43/823539743.db2.gz ZSBIPCSEWICPFF-QGZVFWFLSA-N 1 0 379.504 4.122 20 0 GIADRO C[C@H]1CN(C(=O)Nc2ccc(SC3CCCC3)cc2)CC[N@@H+]1CC(C)(C)O ZINC000190120317 823540084 /nfs/dbraw/zinc/54/00/84/823540084.db2.gz UFUQPQPLECWKAR-INIZCTEOSA-N 1 0 391.581 4.030 20 0 GIADRO CCSc1cccc(NC(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)c1 ZINC000190122046 823540266 /nfs/dbraw/zinc/54/02/66/823540266.db2.gz NVYYMWASMVLKFP-UHFFFAOYSA-N 1 0 397.544 4.014 20 0 GIADRO COc1ccc2c(c1)CCN2C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000060545059 823540351 /nfs/dbraw/zinc/54/03/51/823540351.db2.gz VDLUIJUOQXUBOT-UHFFFAOYSA-N 1 0 393.531 4.199 20 0 GIADRO O=C(c1ccc(C[NH2+]Cc2csc(Br)c2)cc1)N1CCCC1 ZINC000042187215 821281247 /nfs/dbraw/zinc/28/12/47/821281247.db2.gz DWOBNSKIZDVRHH-UHFFFAOYSA-N 1 0 379.323 4.036 20 0 GIADRO COc1cc(C[NH2+][C@@H](C)c2ccc(OCC(C)C)c(OC)c2)cc2c1OCO2 ZINC000042201785 821282855 /nfs/dbraw/zinc/28/28/55/821282855.db2.gz JFYHTKWHYIYECT-HNNXBMFYSA-N 1 0 387.476 4.318 20 0 GIADRO Cc1csc(CC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)n1 ZINC000042228570 821288354 /nfs/dbraw/zinc/28/83/54/821288354.db2.gz DAUNFFOBWXXUTG-UHFFFAOYSA-N 1 0 375.501 4.032 20 0 GIADRO COc1ccc(C[NH2+]C[C@@H](c2c(F)cccc2Cl)N2CCCC2)cc1O ZINC000042229723 821289165 /nfs/dbraw/zinc/28/91/65/821289165.db2.gz GNRZHPVMUULIAD-KRWDZBQOSA-N 1 0 378.875 4.120 20 0 GIADRO Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1CNC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000042229135 821289228 /nfs/dbraw/zinc/28/92/28/821289228.db2.gz HUNLJWIYABIBGY-MRXNPFEDSA-N 1 0 393.362 4.121 20 0 GIADRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1csc(-c2ccc(OC)cc2)n1 ZINC000042537137 821309682 /nfs/dbraw/zinc/30/96/82/821309682.db2.gz TVSBHJLSOATGDE-HNNXBMFYSA-N 1 0 375.538 4.059 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc3c(c2)CCCC3)c1 ZINC000042636595 821317564 /nfs/dbraw/zinc/31/75/64/821317564.db2.gz OTZNHYNJSRFKIL-JKSUJKDBSA-N 1 0 379.504 4.202 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc3c(c2)CCCC3)c1 ZINC000042636596 821317593 /nfs/dbraw/zinc/31/75/93/821317593.db2.gz OTZNHYNJSRFKIL-HZPDHXFCSA-N 1 0 379.504 4.202 20 0 GIADRO CC(C)OCc1c2ccccc2oc1C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000042671874 821323430 /nfs/dbraw/zinc/32/34/30/821323430.db2.gz UPDPGXQFOZSVOQ-IBGZPJMESA-N 1 0 394.515 4.261 20 0 GIADRO COc1cccc([C@H](CNC(=O)c2cc(SC)ccc2Cl)[NH+](C)C)c1 ZINC000042674250 821323935 /nfs/dbraw/zinc/32/39/35/821323935.db2.gz ITLNSAPPBRRUQX-SFHVURJKSA-N 1 0 378.925 4.103 20 0 GIADRO C[NH+]1CCN(c2ccc(NC(=O)C3(c4cccc(Cl)c4)CCC3)cc2)CC1 ZINC000042687802 821324561 /nfs/dbraw/zinc/32/45/61/821324561.db2.gz HHEYROSLWSIHLI-UHFFFAOYSA-N 1 0 383.923 4.152 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1ccc2nc(C)c(C)nc2c1 ZINC000042699224 821325636 /nfs/dbraw/zinc/32/56/36/821325636.db2.gz UUFVDQPSZJZUOQ-UHFFFAOYSA-N 1 0 392.503 4.220 20 0 GIADRO CCCOc1ccc([C@@H](C)NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1OC ZINC000042909876 821344134 /nfs/dbraw/zinc/34/41/34/821344134.db2.gz IQDMMLRNXPGWDA-OAHLLOKOSA-N 1 0 391.556 4.153 20 0 GIADRO COc1ccc(C[N@H+](Cc2ccc(OCc3nccn3C)cc2)C2CC2)cc1 ZINC000042743636 821329888 /nfs/dbraw/zinc/32/98/88/821329888.db2.gz BGIBRCABVIGDFN-UHFFFAOYSA-N 1 0 377.488 4.172 20 0 GIADRO C[NH+](C)Cc1ccccc1NC(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000042752628 821330767 /nfs/dbraw/zinc/33/07/67/821330767.db2.gz OOUHHUQDOPCREB-UHFFFAOYSA-N 1 0 399.292 4.153 20 0 GIADRO CC(C)Oc1cccc([C@H](C)NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000042929639 821346118 /nfs/dbraw/zinc/34/61/18/821346118.db2.gz CEYIHXMUYAFBPH-IBGZPJMESA-N 1 0 395.547 4.499 20 0 GIADRO COc1cc([C@H](C)NC(=O)NCCC[NH2+]C2CCCCC2)ccc1OC(C)C ZINC000043036611 821355812 /nfs/dbraw/zinc/35/58/12/821355812.db2.gz SBJUOJZFGLWACO-KRWDZBQOSA-N 1 0 391.556 4.155 20 0 GIADRO Cc1cccc(-c2nnc(-c3ccc(C(=O)NCC(C)(C)C[NH+](C)C)cc3)o2)c1 ZINC000043085052 821358904 /nfs/dbraw/zinc/35/89/04/821358904.db2.gz BLLNSOYMIJFHFK-UHFFFAOYSA-N 1 0 392.503 4.030 20 0 GIADRO CC(C)[C@@H](NC(=O)NCCCC[NH+]1CCC(C)CC1)c1nc2ccccc2[nH]1 ZINC000043105565 821361521 /nfs/dbraw/zinc/36/15/21/821361521.db2.gz GQYQDFUVMJOVEK-HXUWFJFHSA-N 1 0 385.556 4.071 20 0 GIADRO Cc1ccc(C)c(NC(=O)NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000043122749 821364486 /nfs/dbraw/zinc/36/44/86/821364486.db2.gz SCROVPBHEZPUMZ-KDURUIRLSA-N 1 0 381.520 4.234 20 0 GIADRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)Nc3ccccc3Cl)cc2)C[C@@H](C)O1 ZINC000043146690 821368518 /nfs/dbraw/zinc/36/85/18/821368518.db2.gz MXMZZHSTLPPPDX-HZPDHXFCSA-N 1 0 387.911 4.271 20 0 GIADRO COc1cccc([C@@H](CNC(=O)Nc2cccc(SC)c2)[NH+]2CCCC2)c1 ZINC000043157400 821370085 /nfs/dbraw/zinc/37/00/85/821370085.db2.gz ZHBZPJIGJOGYOG-HXUWFJFHSA-N 1 0 385.533 4.376 20 0 GIADRO CCN(Cc1ccccc1Cl)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000043168118 821372887 /nfs/dbraw/zinc/37/28/87/821372887.db2.gz RPIMMRZOJLUUIZ-GOSISDBHSA-N 1 0 375.900 4.302 20 0 GIADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Nc2c(C(C)C)cccc2C(C)C)C1 ZINC000043171393 821373710 /nfs/dbraw/zinc/37/37/10/821373710.db2.gz XMTATLZYMSSYLF-GOSISDBHSA-N 1 0 375.557 4.412 20 0 GIADRO Cc1cc(Br)cc(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)c1O ZINC000180629227 821374522 /nfs/dbraw/zinc/37/45/22/821374522.db2.gz QKHGWAFQQXAUNM-SFHVURJKSA-N 1 0 398.341 4.013 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)c1nc(=O)c2c(C)c(C)sc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000180633699 821376000 /nfs/dbraw/zinc/37/60/00/821376000.db2.gz LYLJPWCJHIYERX-WFASDCNBSA-N 1 0 399.516 4.175 20 0 GIADRO CCc1cc2c(C[NH2+][C@H](CC)c3ccc4c(c3)OCCO4)cc(=O)oc2cc1O ZINC000180633774 821376652 /nfs/dbraw/zinc/37/66/52/821376652.db2.gz ANJRGVJBFCDKON-GOSISDBHSA-N 1 0 395.455 4.073 20 0 GIADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N1CCC[C@H]1c1ccsc1 ZINC000043231557 821378192 /nfs/dbraw/zinc/37/81/92/821378192.db2.gz NKVXVEBEGLLINH-IRXDYDNUSA-N 1 0 375.563 4.493 20 0 GIADRO COc1ccc([C@H]2CCCN2C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000043231982 821378470 /nfs/dbraw/zinc/37/84/70/821378470.db2.gz PRNKOFVUYCDDLY-WOJBJXKFSA-N 1 0 399.560 4.440 20 0 GIADRO CC[C@H]([NH2+]Cc1ccc2oc(C(=O)OC)cc2c1)c1ccc2c(c1)OCCO2 ZINC000180640018 821378919 /nfs/dbraw/zinc/37/89/19/821378919.db2.gz ZAQOPAXHFJUXCU-KRWDZBQOSA-N 1 0 381.428 4.232 20 0 GIADRO Cn1cc(C[N@H+](C)Cc2cccc(OC(F)(F)F)c2)c(-c2cccnc2)n1 ZINC000180645983 821381005 /nfs/dbraw/zinc/38/10/05/821381005.db2.gz YJLOMKQPSUPYGF-UHFFFAOYSA-N 1 0 376.382 4.013 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1ccc(Br)cc1F)c1ccsc1 ZINC000043259619 821381615 /nfs/dbraw/zinc/38/16/15/821381615.db2.gz BOUUNAYJTNUGNL-CQSZACIVSA-N 1 0 386.290 4.074 20 0 GIADRO COc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccc(F)cc3Cl)CC2)cc1 ZINC000043262866 821382583 /nfs/dbraw/zinc/38/25/83/821382583.db2.gz FFWUKWAIMNAZJQ-UHFFFAOYSA-N 1 0 391.874 4.228 20 0 GIADRO Cn1ccnc1[C@@H](O)[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3Cl)o2)C1 ZINC000180653740 821383528 /nfs/dbraw/zinc/38/35/28/821383528.db2.gz ICLRIGZJRPEQPA-QRWLVFNGSA-N 1 0 385.895 4.279 20 0 GIADRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000180667620 821388510 /nfs/dbraw/zinc/38/85/10/821388510.db2.gz SBVGGMQEXVXTCT-LJQANCHMSA-N 1 0 384.549 4.178 20 0 GIADRO CC[C@@H](CSC)[N@H+](C)CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000180677656 821392143 /nfs/dbraw/zinc/39/21/43/821392143.db2.gz UARWBHHAKLVKHM-INIZCTEOSA-N 1 0 391.562 4.012 20 0 GIADRO C[C@H]([NH2+]CCOc1ccccc1C(F)(F)F)c1ccc(N2CCOC2=O)cc1 ZINC000180678058 821392800 /nfs/dbraw/zinc/39/28/00/821392800.db2.gz MAGWRELKRQESCY-AWEZNQCLSA-N 1 0 394.393 4.392 20 0 GIADRO COc1ccc(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1Cl ZINC000043332298 821394432 /nfs/dbraw/zinc/39/44/32/821394432.db2.gz SMLSUFCULZMMPK-MRXNPFEDSA-N 1 0 377.872 4.290 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1)c1ccc(N2CCOC2=O)cc1 ZINC000180689920 821396557 /nfs/dbraw/zinc/39/65/57/821396557.db2.gz BFZLRFLCGVZYIK-SCLBCKFNSA-N 1 0 394.393 4.046 20 0 GIADRO COc1cc2c(cc1OC)CN(C(=O)CCC[NH2+][C@@H](C)c1ccc(C)cc1)CC2 ZINC000180696079 821399514 /nfs/dbraw/zinc/39/95/14/821399514.db2.gz DIDUGTVJSMQQRL-SFHVURJKSA-N 1 0 396.531 4.028 20 0 GIADRO O[C@]1(C[NH2+][C@@H](c2ccc(Br)cc2)c2ccccc2F)CCSC1 ZINC000180702244 821404506 /nfs/dbraw/zinc/40/45/06/821404506.db2.gz KZWKQJZGCJZHCS-ROUUACIJSA-N 1 0 396.325 4.135 20 0 GIADRO O[C@@]1(C[NH2+][C@H](c2ccc(Cl)cc2)c2ccc(OC(F)F)cc2)CCSC1 ZINC000180703777 821405690 /nfs/dbraw/zinc/40/56/90/821405690.db2.gz DLAZRDYCWLXFNW-IEBWSBKVSA-N 1 0 399.890 4.488 20 0 GIADRO C[C@H]([NH2+]CCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(-n2ccnc2)cc1 ZINC000180706959 821407644 /nfs/dbraw/zinc/40/76/44/821407644.db2.gz TWQMZUBSNMKMDP-HNNXBMFYSA-N 1 0 393.878 4.469 20 0 GIADRO COc1ccc(OC)c([C@@H](C)[NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000180707679 821408400 /nfs/dbraw/zinc/40/84/00/821408400.db2.gz BYZOCERHWNWEBS-CYBMUJFWSA-N 1 0 387.867 4.301 20 0 GIADRO CC[C@@H]1CCCN(C(=O)Nc2cc(Cl)ccc2N2CC[NH+](CC)CC2)C1 ZINC000043454520 821409823 /nfs/dbraw/zinc/40/98/23/821409823.db2.gz JUPCSEKSJQWFQB-MRXNPFEDSA-N 1 0 378.948 4.136 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CC=C(c2ccccc2)CC1 ZINC000043490231 821416016 /nfs/dbraw/zinc/41/60/16/821416016.db2.gz CQFYSMLAHNLEIX-UHFFFAOYSA-N 1 0 390.531 4.068 20 0 GIADRO Cc1cc(N2CCCC2)ccc1NC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000043496781 821418264 /nfs/dbraw/zinc/41/82/64/821418264.db2.gz HNVOTDRIAYKMLS-OAQYLSRUSA-N 1 0 384.499 4.159 20 0 GIADRO COc1cc([C@@H](C)[NH2+]CCCNC(=O)c2ccc(F)cc2)ccc1SC ZINC000180722912 821418423 /nfs/dbraw/zinc/41/84/23/821418423.db2.gz UVWRTIIIRMJHFB-CQSZACIVSA-N 1 0 376.497 4.027 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)NCc3ccc(Cl)s3)c(C)c2)CC1 ZINC000043521419 821421807 /nfs/dbraw/zinc/42/18/07/821421807.db2.gz HTYQVYLSUSHZJT-UHFFFAOYSA-N 1 0 392.956 4.174 20 0 GIADRO C[C@@H]([NH2+]CC1(N2CCCCC2)CCOCC1)c1ccc(Br)s1 ZINC000180737127 821425643 /nfs/dbraw/zinc/42/56/43/821425643.db2.gz PQTNPTPOOWTUPS-CQSZACIVSA-N 1 0 387.387 4.196 20 0 GIADRO Cc1nc(NC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)sc1C ZINC000043550855 821425903 /nfs/dbraw/zinc/42/59/03/821425903.db2.gz DCQPHXHEQDMUAZ-UHFFFAOYSA-N 1 0 378.929 4.199 20 0 GIADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)Nc1nc(C(F)(F)F)cs1 ZINC000043635335 821433866 /nfs/dbraw/zinc/43/38/66/821433866.db2.gz SKQBDYNLVNBVAP-JTQLQIEISA-N 1 0 390.456 4.182 20 0 GIADRO CCc1ccc([C@H]([NH2+]C[C@@H]2CCCS2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000180753349 821434538 /nfs/dbraw/zinc/43/45/38/821434538.db2.gz AIKJZSANBGOFBO-FPOVZHCZSA-N 1 0 389.586 4.227 20 0 GIADRO CCc1c(C(=O)N2CCC(CCC[NH+](CC)CC)CC2)[nH]c(C)c1C(C)=O ZINC000180759110 821438653 /nfs/dbraw/zinc/43/86/53/821438653.db2.gz GMMRMQLJQWSIDO-UHFFFAOYSA-N 1 0 375.557 4.062 20 0 GIADRO C[C@@H]([NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1)C(=O)Nc1ccccc1 ZINC000180762050 821440867 /nfs/dbraw/zinc/44/08/67/821440867.db2.gz LIEJJWADRAJCAI-OAHLLOKOSA-N 1 0 389.902 4.060 20 0 GIADRO CC[C@H](C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)c1ccc(OC)cc1 ZINC000180773460 821447641 /nfs/dbraw/zinc/44/76/41/821447641.db2.gz HWJRIYKLOMGWDM-QHCPKHFHSA-N 1 0 380.532 4.312 20 0 GIADRO CCOc1ccc(C(=O)N2CCC([NH2+]Cc3ccc(Cl)c(C)c3)CC2)cc1 ZINC000180780617 821453052 /nfs/dbraw/zinc/45/30/52/821453052.db2.gz CLTXGAYKPQYZEP-UHFFFAOYSA-N 1 0 386.923 4.442 20 0 GIADRO C[C@@H]([NH2+]CCNC(=O)c1c(F)cccc1F)[C@@H](C)c1nc2ccccc2s1 ZINC000180787839 821458018 /nfs/dbraw/zinc/45/80/18/821458018.db2.gz CEFNKSLLOXIYIM-CHWSQXEVSA-N 1 0 389.471 4.086 20 0 GIADRO Clc1ccccc1[C@@H]([NH2+]CCc1cscn1)c1ccc2c(c1)OCCO2 ZINC000180790718 821460014 /nfs/dbraw/zinc/46/00/14/821460014.db2.gz QQFXWCVCHNUFRC-FQEVSTJZSA-N 1 0 386.904 4.489 20 0 GIADRO O=C1CCCN1Cc1cccc(C[NH2+]Cc2ccc(Oc3ccccc3)o2)c1 ZINC000180792345 821461018 /nfs/dbraw/zinc/46/10/18/821461018.db2.gz OQBGTNFAZZGHTR-UHFFFAOYSA-N 1 0 376.456 4.484 20 0 GIADRO Cc1nc2cc(F)ccc2cc1C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000043809937 821462526 /nfs/dbraw/zinc/46/25/26/821462526.db2.gz SYCKONBAAYTDID-UHFFFAOYSA-N 1 0 377.463 4.030 20 0 GIADRO Fc1ccc(-n2cc(C[N@@H+]3CCC[C@@H](n4ccc(C(F)(F)F)n4)C3)cn2)cc1 ZINC000180800407 821465486 /nfs/dbraw/zinc/46/54/86/821465486.db2.gz MUHFDRLKFAEMNT-QGZVFWFLSA-N 1 0 393.388 4.064 20 0 GIADRO Cc1cc2ncc([C@@H](C)[NH2+]CCCOc3cccc4cccnc43)c(C)n2n1 ZINC000180804651 821467420 /nfs/dbraw/zinc/46/74/20/821467420.db2.gz ZFMGSKDSDVUQBF-MRXNPFEDSA-N 1 0 375.476 4.014 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]CCS(=O)(=O)C(C)(C)C ZINC000180806465 821469670 /nfs/dbraw/zinc/46/96/70/821469670.db2.gz VPJIUNDAKYITAR-CQSZACIVSA-N 1 0 380.579 4.291 20 0 GIADRO COc1cccc([C@H](CNC(=O)Nc2ccc(SC)cc2)[NH+]2CCCC2)c1 ZINC000043857752 821474233 /nfs/dbraw/zinc/47/42/33/821474233.db2.gz WBLVBIHMFVBUNJ-FQEVSTJZSA-N 1 0 385.533 4.376 20 0 GIADRO Cc1cc(C[NH2+]Cc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)ccc1Cl ZINC000180820792 821480183 /nfs/dbraw/zinc/48/01/83/821480183.db2.gz HOUIWBVSXGQGKK-IRXDYDNUSA-N 1 0 386.923 4.188 20 0 GIADRO CC(C)Oc1ccc(NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c(F)c1 ZINC000180826741 821483154 /nfs/dbraw/zinc/48/31/54/821483154.db2.gz LWJRTZGARRJAJS-UHFFFAOYSA-N 1 0 386.471 4.046 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)c1ccccc1Br)c1ccc(-n2cccn2)cc1 ZINC000180840194 821489095 /nfs/dbraw/zinc/48/90/95/821489095.db2.gz XTVMWLNQWFQRMB-LIRRHRJNSA-N 1 0 386.293 4.019 20 0 GIADRO COc1ccc([C@H]([NH2+]CCOc2cccc(NC(C)=O)c2)c2ccccc2)cc1 ZINC000180839698 821489158 /nfs/dbraw/zinc/48/91/58/821489158.db2.gz MVXVQGFUQSHABF-XMMPIXPASA-N 1 0 390.483 4.412 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1Cl)c1ccc(-n2cccn2)cc1 ZINC000180844014 821490722 /nfs/dbraw/zinc/49/07/22/821490722.db2.gz VNJACQACNZYQJP-ZDUSSCGKSA-N 1 0 389.286 4.468 20 0 GIADRO C[C@@H]([NH2+]CCCc1nc(-c2ccncc2)cs1)c1ccc(-n2cncn2)cc1 ZINC000180847501 821492750 /nfs/dbraw/zinc/49/27/50/821492750.db2.gz VWSNNOFBTRNUMY-MRXNPFEDSA-N 1 0 390.516 4.069 20 0 GIADRO c1sc(CCC[NH2+]C2CCN(c3ccccc3)CC2)nc1-c1ccncc1 ZINC000180849426 821494151 /nfs/dbraw/zinc/49/41/51/821494151.db2.gz DHMVJLXKOIHTNY-UHFFFAOYSA-N 1 0 378.545 4.396 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1ccc(NC(=O)c2ccco2)cc1)c1ccsc1 ZINC000043975803 821496894 /nfs/dbraw/zinc/49/68/94/821496894.db2.gz LHSQCMGFTJQFPK-QGZVFWFLSA-N 1 0 398.488 4.018 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)c2cccnc2Sc2ccccc2)c1 ZINC000043978327 821497347 /nfs/dbraw/zinc/49/73/47/821497347.db2.gz ZCAQXULXHRPITN-UHFFFAOYSA-N 1 0 377.513 4.224 20 0 GIADRO Cc1ccc(NC(=O)c2c(F)cc(Br)cc2F)c(C[NH+](C)C)c1 ZINC000180858501 821498297 /nfs/dbraw/zinc/49/82/97/821498297.db2.gz YTOKUVVVHJBGMP-UHFFFAOYSA-N 1 0 383.236 4.350 20 0 GIADRO CC(C)([NH2+]CC(=O)Nc1ccccc1Br)c1ccc(F)c(F)c1 ZINC000180860662 821499560 /nfs/dbraw/zinc/49/95/60/821499560.db2.gz WHHMFULAWVNOSK-UHFFFAOYSA-N 1 0 383.236 4.191 20 0 GIADRO C[C@@H]([NH2+]CCc1nc2c(cccc2F)n1C)c1ccc(F)cc1OC(F)F ZINC000180864569 821501046 /nfs/dbraw/zinc/50/10/46/821501046.db2.gz XJOKASGLZHNXKM-LLVKDONJSA-N 1 0 381.373 4.346 20 0 GIADRO COCCOc1c(Cl)cc(NC(=O)c2cccc(C[NH+](C)C)c2)cc1Cl ZINC000180879621 821509871 /nfs/dbraw/zinc/50/98/71/821509871.db2.gz HDLQOJHPWZGPDN-UHFFFAOYSA-N 1 0 397.302 4.333 20 0 GIADRO Cc1ccc(-c2n[nH]cc2CNc2cc(C[NH+]3CCSCC3)ccc2C)o1 ZINC000180880802 821510792 /nfs/dbraw/zinc/51/07/92/821510792.db2.gz NBXHIMPIUUJAEL-UHFFFAOYSA-N 1 0 382.533 4.447 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1Cl)c1ccc(-c2ccncc2)cc1 ZINC000180883406 821511483 /nfs/dbraw/zinc/51/14/83/821511483.db2.gz KYQIIVJTNNSBNA-OXQOHEQNSA-N 1 0 382.891 4.493 20 0 GIADRO C[C@H]([NH2+]CC(=O)NCC1(c2ccccc2)CC1)c1ccc(-c2ccncc2)cc1 ZINC000180884800 821512566 /nfs/dbraw/zinc/51/25/66/821512566.db2.gz JNAZHGDOPPSLKF-IBGZPJMESA-N 1 0 385.511 4.247 20 0 GIADRO CC(C)c1cccc(C(C)C)c1NC(=S)NCCCC[NH+]1CCN(C)CC1 ZINC000044076162 821516208 /nfs/dbraw/zinc/51/62/08/821516208.db2.gz CDADWSIYGKQYOW-UHFFFAOYSA-N 1 0 390.641 4.247 20 0 GIADRO C[C@@H]([NH2+]CCCO[C@@H]1CCCc2ccccc21)c1ccc(S(C)(=O)=O)cc1 ZINC000180889419 821516218 /nfs/dbraw/zinc/51/62/18/821516218.db2.gz ITZURJUECXNIOO-VGOFRKELSA-N 1 0 387.545 4.225 20 0 GIADRO CC(C)C(=O)Nc1cccc(NC(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)c1 ZINC000044083475 821519575 /nfs/dbraw/zinc/51/95/75/821519575.db2.gz VRUVGNIOWFLPLB-HXUWFJFHSA-N 1 0 388.556 4.159 20 0 GIADRO CC(C)C(=O)Nc1cccc(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000044084463 821520114 /nfs/dbraw/zinc/52/01/14/821520114.db2.gz QRQLTEAISBNRBN-IBGZPJMESA-N 1 0 398.507 4.223 20 0 GIADRO C[C@H]1CCC[N@H+](CCCCNC(=S)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000044099071 821522868 /nfs/dbraw/zinc/52/28/68/821522868.db2.gz QUOLLWUWCRVVMC-AWEZNQCLSA-N 1 0 389.487 4.384 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=S)Nc2ccc(OC(F)F)cc2)C1 ZINC000044101460 821523363 /nfs/dbraw/zinc/52/33/63/821523363.db2.gz YNLNJCDYGCAFRL-GASCZTMLSA-N 1 0 385.524 4.333 20 0 GIADRO CC[NH+](CC)CCOc1ccc(NC(=S)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000044104776 821524295 /nfs/dbraw/zinc/52/42/95/821524295.db2.gz PHZVZYDOTXNMSC-UHFFFAOYSA-N 1 0 388.493 4.124 20 0 GIADRO COc1cccc(CNC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(-c3ccncc3)cc2)c1 ZINC000180900626 821524901 /nfs/dbraw/zinc/52/49/01/821524901.db2.gz CSVZWBGFSIXFRB-ZWKOTPCHSA-N 1 0 389.499 4.113 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CCc2nc(-c3cccc(Cl)c3)no2)c(OC)c1 ZINC000180901686 821525389 /nfs/dbraw/zinc/52/53/89/821525389.db2.gz BKLDNLFGFKUYGQ-CYBMUJFWSA-N 1 0 387.867 4.301 20 0 GIADRO Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000180902136 821526140 /nfs/dbraw/zinc/52/61/40/821526140.db2.gz RDFTYCLIZSYRCN-OAHLLOKOSA-N 1 0 398.894 4.248 20 0 GIADRO C[C@H]([NH2+]CCc1nc(-c2cccc(Cl)c2)no1)c1ccc([S@](C)=O)cc1 ZINC000180903008 821526629 /nfs/dbraw/zinc/52/66/29/821526629.db2.gz SGJMSWOCFLQJMA-NRRJATNASA-N 1 0 389.908 4.021 20 0 GIADRO S=C(Nc1cccc(C[NH+]2CCCCC2)c1)Nc1ccc2c(c1)OCCO2 ZINC000044133030 821529953 /nfs/dbraw/zinc/52/99/53/821529953.db2.gz HHXFVADWPHACCB-UHFFFAOYSA-N 1 0 383.517 4.253 20 0 GIADRO CCOc1ccc(Cl)cc1[C@H](C)[NH2+]Cc1cccc(OCC(=O)OC)c1 ZINC000180910304 821531681 /nfs/dbraw/zinc/53/16/81/821531681.db2.gz SWFSJJQBSPUEHB-AWEZNQCLSA-N 1 0 377.868 4.141 20 0 GIADRO COC(=O)COc1cccc(C[NH2+][C@@H](C)c2ccc(SC(F)F)cc2)c1 ZINC000180910328 821531712 /nfs/dbraw/zinc/53/17/12/821531712.db2.gz VOJYUSMRUBLUDB-ZDUSSCGKSA-N 1 0 381.444 4.404 20 0 GIADRO COc1ccc([C@H]([NH2+]CCCNC(=O)c2occc2C)c2ccccc2)cc1 ZINC000180910888 821531802 /nfs/dbraw/zinc/53/18/02/821531802.db2.gz RKWUYEYYJMNJEM-OAQYLSRUSA-N 1 0 378.472 4.096 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(Nc3cnc4cc(F)c(F)cc4n3)cc2)CC1 ZINC000180912108 821533025 /nfs/dbraw/zinc/53/30/25/821533025.db2.gz QIHZUKYWIPWDNY-UHFFFAOYSA-N 1 0 383.446 4.182 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)COCc1ccccc1F)c1ccc(-c2ccncc2)cc1 ZINC000180916840 821536036 /nfs/dbraw/zinc/53/60/36/821536036.db2.gz QCZGVCYEPDDXKD-VGOFRKELSA-N 1 0 380.463 4.116 20 0 GIADRO COc1ccccc1CN(C)C(=O)C[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000180917160 821536066 /nfs/dbraw/zinc/53/60/66/821536066.db2.gz CEQSNRHQZUZPOF-SFHVURJKSA-N 1 0 389.499 4.066 20 0 GIADRO CC(C)[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)c1nc(C2CC2)no1 ZINC000180922528 821539902 /nfs/dbraw/zinc/53/99/02/821539902.db2.gz FGMGEWUKEDQEKP-NPYXIHBLSA-N 1 0 390.528 4.164 20 0 GIADRO O=C(C[NH+]1CCCCCC1)Nc1ccc(NC(=S)NC2CCCCC2)cc1 ZINC000044191778 821543052 /nfs/dbraw/zinc/54/30/52/821543052.db2.gz GHUDZOQAFPPEKB-UHFFFAOYSA-N 1 0 388.581 4.120 20 0 GIADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)N[C@@H]1CCCOc2cc(F)ccc21 ZINC000180932369 821544728 /nfs/dbraw/zinc/54/47/28/821544728.db2.gz JEUOLHZJVBCUPJ-HXUWFJFHSA-N 1 0 389.515 4.136 20 0 GIADRO COc1cc(Br)ccc1C[NH2+]C1(c2ccc(F)cc2)CCOCC1 ZINC000180940245 821548251 /nfs/dbraw/zinc/54/82/51/821548251.db2.gz FYGAQRCIFIUBPF-UHFFFAOYSA-N 1 0 394.284 4.392 20 0 GIADRO C[NH+](C)CCOc1ccc(CNC(=S)Nc2ccc(Cl)cc2Cl)cc1 ZINC000044222565 821549487 /nfs/dbraw/zinc/54/94/87/821549487.db2.gz CSXUONHSYYVEMP-UHFFFAOYSA-N 1 0 398.359 4.420 20 0 GIADRO COC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(OCC(F)(F)F)cc2)c(F)c1 ZINC000180949349 821552461 /nfs/dbraw/zinc/55/24/61/821552461.db2.gz BXENMYVDCBFYGF-LBPRGKRZSA-N 1 0 385.357 4.404 20 0 GIADRO Cc1ccc(C(F)(F)F)cc1NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180959163 821556686 /nfs/dbraw/zinc/55/66/86/821556686.db2.gz MGTPDKIIFTYIOB-UHFFFAOYSA-N 1 0 392.425 4.447 20 0 GIADRO CCc1oc(C(=O)OC)cc1C[NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000180961636 821558230 /nfs/dbraw/zinc/55/82/30/821558230.db2.gz DZBBCKHNHDDWCS-LBPRGKRZSA-N 1 0 385.382 4.421 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)c1 ZINC000044277129 821558602 /nfs/dbraw/zinc/55/86/02/821558602.db2.gz DIHOGTIYOHYYEC-KRWDZBQOSA-N 1 0 378.476 4.301 20 0 GIADRO C[C@H](NC(=O)C[NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1)c1ccccc1 ZINC000180965177 821560268 /nfs/dbraw/zinc/56/02/68/821560268.db2.gz OECARIBDTVXSDG-GJZGRUSLSA-N 1 0 380.410 4.156 20 0 GIADRO Cc1cc([C@@H](C)[NH2+]C2CCN(S(=O)(=O)Cc3ccccc3)CC2)c(C)s1 ZINC000180965975 821560818 /nfs/dbraw/zinc/56/08/18/821560818.db2.gz XFIOJHATXOKHJG-MRXNPFEDSA-N 1 0 392.590 4.010 20 0 GIADRO CCc1nc2ccccc2n1C1CC[NH+](CC(=O)Nc2ccccc2CC)CC1 ZINC000180966423 821560864 /nfs/dbraw/zinc/56/08/64/821560864.db2.gz ZMHOEYQRBCJSBX-UHFFFAOYSA-N 1 0 390.531 4.437 20 0 GIADRO CCc1nc2ccccc2n1C1CC[NH+](Cc2ccc(-n3ccnc3)nc2)CC1 ZINC000180966989 821561539 /nfs/dbraw/zinc/56/15/39/821561539.db2.gz VTAYLYYMKIEUQD-UHFFFAOYSA-N 1 0 386.503 4.017 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1cc2cc(Br)ccc2[nH]1)c1cccs1 ZINC000044302317 821562859 /nfs/dbraw/zinc/56/28/59/821562859.db2.gz LETAGCCKXXZWST-OAHLLOKOSA-N 1 0 392.322 4.025 20 0 GIADRO CC[C@H]([NH2+]C1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1)C1CCCCC1 ZINC000180970435 821563824 /nfs/dbraw/zinc/56/38/24/821563824.db2.gz QRGHKAWNDLZKQQ-FQEVSTJZSA-N 1 0 388.552 4.257 20 0 GIADRO Cc1ccc(CNC(=O)C2CC[NH+]([C@H](C)c3nc4ccccc4o3)CC2)cc1F ZINC000180970422 821563924 /nfs/dbraw/zinc/56/39/24/821563924.db2.gz AMKINLVJCNDRRH-MRXNPFEDSA-N 1 0 395.478 4.365 20 0 GIADRO Cc1c(NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cccc1C(F)(F)F ZINC000180973672 821566181 /nfs/dbraw/zinc/56/61/81/821566181.db2.gz ZCRAOIZVBOMBJG-UHFFFAOYSA-N 1 0 392.425 4.447 20 0 GIADRO O=C(Nc1ccccc1SC1CCCC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000044328725 821570026 /nfs/dbraw/zinc/57/00/26/821570026.db2.gz YLGDXTIVPAUMKH-UHFFFAOYSA-N 1 0 382.533 4.470 20 0 GIADRO C[C@@H](CNC(=O)Nc1ccc(N(C)C)cc1C(F)(F)F)[N@@H+]1CCC[C@@H](C)C1 ZINC000044366807 821578551 /nfs/dbraw/zinc/57/85/51/821578551.db2.gz DMLBYBNSHKKJGN-KGLIPLIRSA-N 1 0 386.462 4.013 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1oc(Br)cc1C ZINC000044410423 821585352 /nfs/dbraw/zinc/58/53/52/821585352.db2.gz IRRXAXNFWYJHFM-UHFFFAOYSA-N 1 0 395.297 4.323 20 0 GIADRO COc1cc([C@@H](C)[NH2+]CCc2nc3cc(F)ccc3n2C)ccc1OC(F)F ZINC000181003594 821586648 /nfs/dbraw/zinc/58/66/48/821586648.db2.gz HKPGJOFPGONRRV-GFCCVEGCSA-N 1 0 393.409 4.216 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)[NH2+]CCc2nc3cc(F)ccc3n2C)cc1 ZINC000181002567 821586795 /nfs/dbraw/zinc/58/67/95/821586795.db2.gz CNHNEGWNIPIQKH-HNNXBMFYSA-N 1 0 377.467 4.100 20 0 GIADRO C[C@@H]([NH2+]CCc1nc(C2CCCCC2)cs1)c1ccc(-n2cnnn2)cc1 ZINC000181015644 821594505 /nfs/dbraw/zinc/59/45/05/821594505.db2.gz CGEAGRJRVWFRTD-OAHLLOKOSA-N 1 0 382.537 4.060 20 0 GIADRO c1sc(CC[NH2+]C2CCN(Cc3cccnc3)CC2)nc1C1CCCCC1 ZINC000181015672 821594603 /nfs/dbraw/zinc/59/46/03/821594603.db2.gz LWTOLKNBFKAZMD-UHFFFAOYSA-N 1 0 384.593 4.383 20 0 GIADRO C[C@@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc(Br)cc1Br ZINC000044533161 821601040 /nfs/dbraw/zinc/60/10/40/821601040.db2.gz DBSXSPWPJZWTQO-VXGBXAGGSA-N 1 0 390.163 4.204 20 0 GIADRO CC(C)[C@H](CSc1ccccc1)[NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000181028191 821601282 /nfs/dbraw/zinc/60/12/82/821601282.db2.gz QSWHQPFCMDVAST-IRLDBZIGSA-N 1 0 382.573 4.442 20 0 GIADRO C[NH+](C)CCOc1cc(CNC(c2ccc(F)cc2)c2ccc(F)cc2)ccn1 ZINC000181034485 821604281 /nfs/dbraw/zinc/60/42/81/821604281.db2.gz GZXRTUDSVYHKIU-UHFFFAOYSA-N 1 0 397.469 4.179 20 0 GIADRO Cn1cc([C@@H]([NH2+][C@H]2CCCN(c3ccccc3F)C2)c2cccc(F)c2)cn1 ZINC000181033476 821604337 /nfs/dbraw/zinc/60/43/37/821604337.db2.gz JLVKVPRSPLZIJC-UGKGYDQZSA-N 1 0 382.458 4.046 20 0 GIADRO Clc1ccc(-c2nn(-c3ccccc3)cc2CC[NH2+]Cc2csnn2)cc1 ZINC000181043131 821608537 /nfs/dbraw/zinc/60/85/37/821608537.db2.gz VANZOXFSBBHSTO-UHFFFAOYSA-N 1 0 395.919 4.377 20 0 GIADRO CC(C)(C)[C@@H]([NH2+]Cc1nc(=O)c2c3c(sc2[nH]1)CCC3)c1cccc(F)c1 ZINC000181066060 821616257 /nfs/dbraw/zinc/61/62/57/821616257.db2.gz ZNSRWRWLBUHEEL-SFHVURJKSA-N 1 0 385.508 4.489 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(N2CCOC2=O)cc1)c1ccccc1Br ZINC000181072604 821618624 /nfs/dbraw/zinc/61/86/24/821618624.db2.gz KNLXNOKINYAEHI-CYBMUJFWSA-N 1 0 375.266 4.257 20 0 GIADRO Cc1ccoc1C(=O)NCCC[NH2+][C@H](C)c1sc(Cc2ccccc2)nc1C ZINC000181074723 821619913 /nfs/dbraw/zinc/61/99/13/821619913.db2.gz IMYWESMRHSYZNM-MRXNPFEDSA-N 1 0 397.544 4.414 20 0 GIADRO CCC(CC)(CNc1ccc2nnc(C(F)F)n2n1)[NH2+][C@H](C)c1ccccc1 ZINC000181079329 821621814 /nfs/dbraw/zinc/62/18/14/821621814.db2.gz MCILUWQCYADBJL-CQSZACIVSA-N 1 0 388.466 4.383 20 0 GIADRO C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[N@H+](C)CCCn1ccnc1 ZINC000181100501 821631986 /nfs/dbraw/zinc/63/19/86/821631986.db2.gz DIRPJPFEUWKNNL-SFHVURJKSA-N 1 0 378.476 4.025 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)CC(=O)Nc1cc(OC)ccc1OC)c1cc(F)ccc1F ZINC000181102617 821633774 /nfs/dbraw/zinc/63/37/74/821633774.db2.gz ULMMPGZRNOMDTM-UGSOOPFHSA-N 1 0 392.446 4.440 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)c1c(F)cccc1F)c1ccc(OCC(F)(F)F)cc1 ZINC000181104804 821634603 /nfs/dbraw/zinc/63/46/03/821634603.db2.gz OFKMZDHWMCFBGE-ZBEGNZNMSA-N 1 0 375.337 4.290 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc2[nH]c(C(F)F)nc2c1)c1cccc(F)c1 ZINC000181108755 821637989 /nfs/dbraw/zinc/63/79/89/821637989.db2.gz XNZJTCORLJXQHT-INIZCTEOSA-N 1 0 391.397 4.064 20 0 GIADRO Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+]C1CCC(S(C)(=O)=O)CC1 ZINC000181117667 821642810 /nfs/dbraw/zinc/64/28/10/821642810.db2.gz NSOQNXXYEBELHV-GRTSSRMGSA-N 1 0 396.553 4.264 20 0 GIADRO Fc1cccc(N2CCCC2)c1C[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000181119053 821644303 /nfs/dbraw/zinc/64/43/03/821644303.db2.gz NCQDOSJRGTYPJR-UHFFFAOYSA-N 1 0 396.432 4.478 20 0 GIADRO C[C@@H]([NH2+]C1CCC(S(C)(=O)=O)CC1)c1cccc(OCc2ccccc2)c1 ZINC000181123731 821647567 /nfs/dbraw/zinc/64/75/67/821647567.db2.gz UIJXXLMFIZGFQW-FEPNQTLGSA-N 1 0 387.545 4.272 20 0 GIADRO CS(=O)(=O)C1CCC([NH2+][C@H]2CCCOc3c(Cl)c(Cl)ccc32)CC1 ZINC000181125442 821648256 /nfs/dbraw/zinc/64/82/56/821648256.db2.gz NLZUACPUMYVEMR-QOZQQMKHSA-N 1 0 392.348 4.153 20 0 GIADRO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(c2ccccc2)c2ccccc2)c1 ZINC000181133330 821653580 /nfs/dbraw/zinc/65/35/80/821653580.db2.gz VKDXKKSNDUYZSU-QHCPKHFHSA-N 1 0 385.511 4.338 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(Cc2cc(-c3c(OC)ccc4ccccc43)no2)C1 ZINC000181136047 821655757 /nfs/dbraw/zinc/65/57/57/821655757.db2.gz ADOSOYPXXIDNHC-QGZVFWFLSA-N 1 0 379.504 4.277 20 0 GIADRO COC(=O)c1coc(C[NH2+][C@@H](Cc2ccc(F)cc2)c2ccc(OC)cc2)c1 ZINC000181139687 821658354 /nfs/dbraw/zinc/65/83/54/821658354.db2.gz IWZWUCXNNYLKEI-NRFANRHFSA-N 1 0 383.419 4.288 20 0 GIADRO COc1cccc(C[NH2+][C@H](Cc2ccccc2C)c2ccc(OC)c(OC)c2)n1 ZINC000181140478 821658988 /nfs/dbraw/zinc/65/89/88/821658988.db2.gz MEWFEZQBLLDYMB-OAQYLSRUSA-N 1 0 392.499 4.489 20 0 GIADRO CCC(CC)n1nc(C)cc1C(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000181152463 821666295 /nfs/dbraw/zinc/66/62/95/821666295.db2.gz YGGZLUKFXVGPDK-LJQANCHMSA-N 1 0 382.552 4.289 20 0 GIADRO CSC1(C[NH2+][C@@H](C)c2cnn(-c3cccc(Cl)c3)c2C)CCOCC1 ZINC000181158638 821671005 /nfs/dbraw/zinc/67/10/05/821671005.db2.gz NALOHKMWOCHLNF-AWEZNQCLSA-N 1 0 379.957 4.397 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1[nH]c2ccc(F)cc2c1Cl ZINC000044851055 821672280 /nfs/dbraw/zinc/67/22/80/821672280.db2.gz OHZZNTJKJZDEDE-UHFFFAOYSA-N 1 0 385.870 4.355 20 0 GIADRO Cc1ncc([C@@H](C)[NH2+][C@@H](Cc2ccccc2)C(=O)N(C)c2ccccc2)s1 ZINC000181163321 821673900 /nfs/dbraw/zinc/67/39/00/821673900.db2.gz IYGXXVDBNAMSAM-UZLBHIALSA-N 1 0 379.529 4.376 20 0 GIADRO COCCC[C@H](C)[NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C ZINC000181166955 821675209 /nfs/dbraw/zinc/67/52/09/821675209.db2.gz WLGUURPBZFHVSN-PGRDOPGGSA-N 1 0 389.561 4.201 20 0 GIADRO COC[C@@H]([NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C)C(C)C ZINC000181167375 821675301 /nfs/dbraw/zinc/67/53/01/821675301.db2.gz JOHKRCLKDYXMJR-FGZHOGPDSA-N 1 0 389.561 4.057 20 0 GIADRO COc1ccc(S[C@@H](C)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000044875144 821675462 /nfs/dbraw/zinc/67/54/62/821675462.db2.gz LEXBSKLNNPDARM-SFHVURJKSA-N 1 0 398.572 4.478 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)COc3ccccc3Cl)cc2)C1 ZINC000044879141 821676441 /nfs/dbraw/zinc/67/64/41/821676441.db2.gz QCIDSCRUJUVENG-KRWDZBQOSA-N 1 0 386.923 4.267 20 0 GIADRO COC(=O)c1cc2cc(C[NH2+][C@H](C[C@H]3CCOC3)c3ccccc3)ccc2o1 ZINC000181181834 821681690 /nfs/dbraw/zinc/68/16/90/821681690.db2.gz QAYCJHCYHQJVKR-YLJYHZDGSA-N 1 0 379.456 4.477 20 0 GIADRO CN(C(=O)C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1)c1nc2ccccc2s1 ZINC000181184823 821683548 /nfs/dbraw/zinc/68/35/48/821683548.db2.gz CESXNQVTIPKQDO-LPHOPBHVSA-N 1 0 395.528 4.017 20 0 GIADRO CC(C)N(Cc1ccccc1)C(=O)C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000181186461 821684051 /nfs/dbraw/zinc/68/40/51/821684051.db2.gz JMPMQHZPZMZVHZ-GMAHTHKFSA-N 1 0 380.532 4.181 20 0 GIADRO Cc1cc2ncc([C@H](C)[NH2+]CCc3csc(-c4ccccc4)n3)c(C)n2n1 ZINC000181190437 821686337 /nfs/dbraw/zinc/68/63/37/821686337.db2.gz IYOFBSAXVJGAQJ-HNNXBMFYSA-N 1 0 377.517 4.363 20 0 GIADRO Cc1cc2ncc([C@H](C)[NH2+]Cc3c(C)nn(Cc4ccccc4)c3C)c(C)n2n1 ZINC000181191544 821686863 /nfs/dbraw/zinc/68/68/63/821686863.db2.gz PQJLGMCMGBQNEZ-INIZCTEOSA-N 1 0 388.519 4.059 20 0 GIADRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(F)c(Cl)c1F ZINC000181193382 821688197 /nfs/dbraw/zinc/68/81/97/821688197.db2.gz JQJCICGZEKRTQR-LBPRGKRZSA-N 1 0 384.879 4.322 20 0 GIADRO CO[C@H](C[NH2+][C@H](C)CC(=O)Nc1cccnc1Cl)c1cccc(Cl)c1 ZINC000181196470 821690488 /nfs/dbraw/zinc/69/04/88/821690488.db2.gz YKYMAIYSSGHVPB-MLGOLLRUSA-N 1 0 382.291 4.083 20 0 GIADRO CC[C@H]([NH2+]C1CCN(C(=O)c2ccccc2F)CC1)c1cc(C)ccc1OC ZINC000181201221 821693207 /nfs/dbraw/zinc/69/32/07/821693207.db2.gz WHJCVTQANYUIBW-NRFANRHFSA-N 1 0 384.495 4.488 20 0 GIADRO CCc1cc2c(C[NH2+][C@@H](C[C@H]3CCOC3)c3ccccc3)cc(=O)oc2cc1O ZINC000181209156 821698243 /nfs/dbraw/zinc/69/82/43/821698243.db2.gz DIZQYGSTWSXTHQ-IERDGZPVSA-N 1 0 393.483 4.319 20 0 GIADRO CC[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(OC)cc1 ZINC000181215380 821702330 /nfs/dbraw/zinc/70/23/30/821702330.db2.gz DGGHTKWMWPSLJN-JZWVFAODSA-N 1 0 380.532 4.358 20 0 GIADRO CCN(C(=O)C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)[C@H](C)c1ccc(F)cc1 ZINC000181230140 821708163 /nfs/dbraw/zinc/70/81/63/821708163.db2.gz SKFVADYLABAXSY-SELNLUPBSA-N 1 0 398.522 4.493 20 0 GIADRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CCCNC(=O)C3CCC3)s2)cc1 ZINC000181233394 821710269 /nfs/dbraw/zinc/71/02/69/821710269.db2.gz VKIPLRDUZQFVQM-AWEZNQCLSA-N 1 0 387.549 4.084 20 0 GIADRO CC[C@H](C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1)Oc1ccccc1C ZINC000181241571 821714788 /nfs/dbraw/zinc/71/47/88/821714788.db2.gz BZPDOJSNRKXYLH-DOTOQJQBSA-N 1 0 379.497 4.046 20 0 GIADRO O=C(C[NH2+]C1(c2ccc(F)cc2F)CCCC1)N1CCC[C@H](C(F)(F)F)C1 ZINC000181254773 821720125 /nfs/dbraw/zinc/72/01/25/821720125.db2.gz BACKTFLCHFNDAW-ZDUSSCGKSA-N 1 0 390.396 4.125 20 0 GIADRO COc1c(Br)cccc1C[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000181261805 821722921 /nfs/dbraw/zinc/72/29/21/821722921.db2.gz CSVHBWMODMJFJA-LBPRGKRZSA-N 1 0 378.266 4.080 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1Cl)c1ccc(-c2cccnc2)cc1 ZINC000181272642 821727046 /nfs/dbraw/zinc/72/70/46/821727046.db2.gz BHCGISFWUSLMFX-OXJNMPFZSA-N 1 0 382.891 4.493 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N[C@@H]1CCOc2ccccc21)c1ccc(-c2cccnc2)cc1 ZINC000181274396 821727503 /nfs/dbraw/zinc/72/75/03/821727503.db2.gz GRIOOVSRBXRQAT-VGOFRKELSA-N 1 0 387.483 4.039 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N[C@H]1CCOc2ccccc21)c1ccc(-c2cccnc2)cc1 ZINC000181274434 821728325 /nfs/dbraw/zinc/72/83/25/821728325.db2.gz GRIOOVSRBXRQAT-VGSWGCGISA-N 1 0 387.483 4.039 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1)C(=O)Nc1ccc(Cl)cn1 ZINC000181276810 821730102 /nfs/dbraw/zinc/73/01/02/821730102.db2.gz GFCMEBAFFSAGQF-LSDHHAIUSA-N 1 0 380.879 4.475 20 0 GIADRO COc1ccccc1N1CC[C@H]([NH2+][C@H](C)c2ccc(-c3ccncc3)cc2)C1=O ZINC000181286995 821735927 /nfs/dbraw/zinc/73/59/27/821735927.db2.gz PBQGVMRJOQLXTA-UTKZUKDTSA-N 1 0 387.483 4.213 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1)C(=O)NC(=O)Nc1ccccc1 ZINC000181287548 821736208 /nfs/dbraw/zinc/73/62/08/821736208.db2.gz PEYQJUDQPYJCTO-DLBZAZTESA-N 1 0 388.471 4.136 20 0 GIADRO COCc1nc2n(n1)C[C@H]([NH2+][C@H](CC(C)C)c1cccc(C(F)(F)F)c1)CC2 ZINC000181292769 821739193 /nfs/dbraw/zinc/73/91/93/821739193.db2.gz XJZWCICWWHXCIL-IAGOWNOFSA-N 1 0 396.457 4.135 20 0 GIADRO COCc1nc2n(n1)C[C@H]([NH2+][C@@H](CCCc1ccccc1)c1ccccc1)CC2 ZINC000181296877 821741537 /nfs/dbraw/zinc/74/15/37/821741537.db2.gz BROHOUBFDRDSEJ-YADHBBJMSA-N 1 0 390.531 4.093 20 0 GIADRO COc1ccccc1N1CC[C@H]([NH2+][C@@H](C)c2ccc(-c3cccnc3)cc2)C1=O ZINC000181298079 821742026 /nfs/dbraw/zinc/74/20/26/821742026.db2.gz JXIXEBNCHRXQPW-UWJYYQICSA-N 1 0 387.483 4.213 20 0 GIADRO CC(C)c1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000181298225 821742615 /nfs/dbraw/zinc/74/26/15/821742615.db2.gz RSLJNRLVICKOLC-SJORKVTESA-N 1 0 395.503 4.444 20 0 GIADRO CCOc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccc(-c3cccnc3)cc2)cc1 ZINC000181299951 821743436 /nfs/dbraw/zinc/74/34/36/821743436.db2.gz IKTKVFGYQBIUFW-AVRDEDQJSA-N 1 0 392.499 4.238 20 0 GIADRO Cc1cccc(C)c1NC(=O)CCC[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000181302159 821744069 /nfs/dbraw/zinc/74/40/69/821744069.db2.gz NYMVWNRLNRCJJF-SFHVURJKSA-N 1 0 395.503 4.330 20 0 GIADRO Cc1cccc(C)c1NC(=O)CCC[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000181302182 821744696 /nfs/dbraw/zinc/74/46/96/821744696.db2.gz NYMVWNRLNRCJJF-GOSISDBHSA-N 1 0 395.503 4.330 20 0 GIADRO C[C@H](Cc1ccccc1Br)[NH2+][C@H](C)c1ccc([S@](C)=O)cc1 ZINC000181308984 821747568 /nfs/dbraw/zinc/74/75/68/821747568.db2.gz OJBXPMJVNBVUSU-SOHPYSCWSA-N 1 0 380.351 4.468 20 0 GIADRO C[C@@H](Cc1ccccc1Br)[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000181309158 821748433 /nfs/dbraw/zinc/74/84/33/821748433.db2.gz HHNFFCFJVXYSSD-INIZCTEOSA-N 1 0 388.353 4.029 20 0 GIADRO COc1ccccc1[C@@H](C)NC(=O)C[NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000181312414 821750512 /nfs/dbraw/zinc/75/05/12/821750512.db2.gz VDJJGIKDLBCZKF-ZWKOTPCHSA-N 1 0 389.499 4.285 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc(-c2cccnc2)cc1)C(=O)NCCc1ccc(F)cc1 ZINC000181313540 821752777 /nfs/dbraw/zinc/75/27/77/821752777.db2.gz ZEOGUAURXSNWQQ-QZTJIDSGSA-N 1 0 391.490 4.286 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)COc1cccc2[nH]ccc21)c1ccc(-c2cccnc2)cc1 ZINC000181323998 821758980 /nfs/dbraw/zinc/75/89/80/821758980.db2.gz VKLOXVRUTYUHDO-UWJYYQICSA-N 1 0 387.483 4.320 20 0 GIADRO C[C@H]([NH2+]Cc1nc2ccccc2n1C(F)F)c1ccc(N2CCCC2=O)cc1 ZINC000181340089 821771015 /nfs/dbraw/zinc/77/10/15/821771015.db2.gz ATNHKZIDRILFNN-AWEZNQCLSA-N 1 0 384.430 4.409 20 0 GIADRO COCCn1ccc2ccc(NC(=O)c3cccc(C[NH+]4CCCC4)c3)cc21 ZINC000181352457 821781229 /nfs/dbraw/zinc/78/12/29/821781229.db2.gz ZLYZHTVRCFZWFW-UHFFFAOYSA-N 1 0 377.488 4.136 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+]C[C@@H](c2cccs2)N2CCCC2)s1 ZINC000181366714 821791008 /nfs/dbraw/zinc/79/10/08/821791008.db2.gz RHZYTFJDAZGTMZ-ZBFHGGJFSA-N 1 0 379.595 4.190 20 0 GIADRO C[N@@H+]1CCCN(C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)CC1 ZINC000181371635 821792865 /nfs/dbraw/zinc/79/28/65/821792865.db2.gz UUCIDDGHMRFJSB-UHFFFAOYSA-N 1 0 380.517 4.057 20 0 GIADRO CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@@H](C)c2sc(CCOC)nc2C)c1 ZINC000181383149 821797859 /nfs/dbraw/zinc/79/78/59/821797859.db2.gz LAMPPBNESNPTSG-CABCVRRESA-N 1 0 389.565 4.020 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+]Cc2ccccc2OCC(F)(F)F)s1 ZINC000181386451 821799521 /nfs/dbraw/zinc/79/95/21/821799521.db2.gz ZEVHVNBFGMOFOV-LBPRGKRZSA-N 1 0 388.455 4.432 20 0 GIADRO O[C@@H](C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)c1cccc(Br)c1 ZINC000181389281 821800878 /nfs/dbraw/zinc/80/08/78/821800878.db2.gz LONDHODJDCXYDW-BEVDRBHNSA-N 1 0 390.321 4.240 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+]CCc2ccc(Br)s2)s1 ZINC000181391260 821802165 /nfs/dbraw/zinc/80/21/65/821802165.db2.gz ZLPIOGXULMBCOD-JTQLQIEISA-N 1 0 389.384 4.358 20 0 GIADRO C[C@H]([NH2+][C@@H](CO)c1cccc(Br)c1)c1ccc(F)cc1N(C)C ZINC000181395602 821805254 /nfs/dbraw/zinc/80/52/54/821805254.db2.gz JYCNRVSOAPTVEN-SJCJKPOMSA-N 1 0 381.289 4.038 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CN(c3ccccc3)C(=O)O2)cc1OCC ZINC000181397023 821805920 /nfs/dbraw/zinc/80/59/20/821805920.db2.gz MKYRGUBZSASHBN-VQIMIIECSA-N 1 0 384.476 4.160 20 0 GIADRO C[C@H]([NH2+][C@@H](CO)c1cccc(Br)c1)c1cccc(OC(F)F)c1 ZINC000181395849 821806061 /nfs/dbraw/zinc/80/60/61/821806061.db2.gz APBUUGOKTFVJEN-ZBEGNZNMSA-N 1 0 386.236 4.435 20 0 GIADRO COc1cccc2cc([C@H](C)[NH2+]C[C@@H](c3cccs3)N3CCOCC3)oc21 ZINC000181398104 821806480 /nfs/dbraw/zinc/80/64/80/821806480.db2.gz HDNLZRMATFKRMI-RDJZCZTQSA-N 1 0 386.517 4.227 20 0 GIADRO COc1ccc(-c2cnc(CN[C@H](C)c3cccc(N4CCCC4=O)c3)o2)cc1 ZINC000181402278 821807887 /nfs/dbraw/zinc/80/78/87/821807887.db2.gz QSEOPFZMGFICDG-MRXNPFEDSA-N 1 0 391.471 4.328 20 0 GIADRO Cc1cccc(C)c1NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181410056 821811450 /nfs/dbraw/zinc/81/14/50/821811450.db2.gz RKHBASDHILKSTO-ROUUACIJSA-N 1 0 379.504 4.108 20 0 GIADRO COc1cc(C)c([C@@H](C)NC(=O)C[NH2+][C@H](C)c2cccc(Cl)c2)cc1OC ZINC000181418865 821816155 /nfs/dbraw/zinc/81/61/55/821816155.db2.gz XEZIXVXXGZDJSI-HUUCEWRRSA-N 1 0 390.911 4.194 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N[C@H](c1nccs1)c1ccccc1)c1cccc(Cl)c1 ZINC000181422393 821818280 /nfs/dbraw/zinc/81/82/80/821818280.db2.gz GDZUPTIENHZTGG-KUHUBIRLSA-N 1 0 385.920 4.353 20 0 GIADRO CSc1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)c1 ZINC000181423405 821818923 /nfs/dbraw/zinc/81/89/23/821818923.db2.gz ODRWYVBIRRUAAB-CVEARBPZSA-N 1 0 397.544 4.213 20 0 GIADRO CSc1cccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)c1 ZINC000181423437 821819250 /nfs/dbraw/zinc/81/92/50/821819250.db2.gz ODRWYVBIRRUAAB-HZPDHXFCSA-N 1 0 397.544 4.213 20 0 GIADRO C[C@H]([NH2+]CCCc1nc(-c2ccccc2)no1)c1cccc(N2CCCC2=O)c1 ZINC000181423834 821819488 /nfs/dbraw/zinc/81/94/88/821819488.db2.gz FGYVHKRYZVJMFX-KRWDZBQOSA-N 1 0 390.487 4.147 20 0 GIADRO Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2ccc(OC(F)F)cc2OC(F)F)[nH]n1 ZINC000181426210 821820547 /nfs/dbraw/zinc/82/05/47/821820547.db2.gz FDSBDXMDDWATIP-ONGXEEELSA-N 1 0 375.366 4.203 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+]CCc2nc(C(F)(F)F)cs2)s1 ZINC000181428730 821822353 /nfs/dbraw/zinc/82/23/53/821822353.db2.gz MJAAXFAYWUFIFR-SECBINFHSA-N 1 0 379.473 4.009 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+][C@@H]2CCN(c3cccc(Cl)c3)C2)s1 ZINC000181432032 821824324 /nfs/dbraw/zinc/82/43/24/821824324.db2.gz MMNLNVDEHHJCPS-CZUORRHYSA-N 1 0 379.957 4.223 20 0 GIADRO CCc1ccc2c(C[NH2+][C@@H](C)c3cccc(N4CCCC4=O)c3)cc(=O)oc2c1 ZINC000181433593 821825356 /nfs/dbraw/zinc/82/53/56/821825356.db2.gz QWOQFZUBUFKCAB-INIZCTEOSA-N 1 0 390.483 4.333 20 0 GIADRO O=C(CCCc1ccc2ccccc2c1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000181435731 821826437 /nfs/dbraw/zinc/82/64/37/821826437.db2.gz QZVQQSSHWTYSFK-ZEQRLZLVSA-N 1 0 394.559 4.047 20 0 GIADRO Cc1c(Cl)cccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181438444 821827454 /nfs/dbraw/zinc/82/74/54/821827454.db2.gz WKJMVYWPHGGLSL-HZPDHXFCSA-N 1 0 399.922 4.453 20 0 GIADRO CCc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181445803 821829392 /nfs/dbraw/zinc/82/93/92/821829392.db2.gz YUAUXZULNYXPST-DLBZAZTESA-N 1 0 379.504 4.054 20 0 GIADRO Cc1nn(C)c(=O)c(-c2nc(C[NH2+][C@@H]3C[C@@H](C)CC[C@@H]3C(C)C)cs2)c1C ZINC000181453840 821832986 /nfs/dbraw/zinc/83/29/86/821832986.db2.gz GKOPJHBRQUKNFC-MORSLUCNSA-N 1 0 388.581 4.071 20 0 GIADRO Fc1cccc(Cl)c1CN1CCC([NH2+][C@H]2CCO[C@]3(CCSC3)C2)CC1 ZINC000181455557 821833588 /nfs/dbraw/zinc/83/35/88/821833588.db2.gz DBMNCDRFKWMBGA-OXJNMPFZSA-N 1 0 398.975 4.088 20 0 GIADRO Brc1ccc(C[NH2+][C@@H]2CCc3ccccc32)c(N2CCOCC2)c1 ZINC000181457869 821834714 /nfs/dbraw/zinc/83/47/14/821834714.db2.gz ZEZGHAGQHQBIRO-LJQANCHMSA-N 1 0 387.321 4.063 20 0 GIADRO CC(C)c1nn(C)c2sc(C(=O)N[C@@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)cc12 ZINC000181462872 821837736 /nfs/dbraw/zinc/83/77/36/821837736.db2.gz RJJLWZBITPDPNX-GJZGRUSLSA-N 1 0 388.581 4.141 20 0 GIADRO Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N(CC[NH+](C)C)C(C)C ZINC000181465845 821838754 /nfs/dbraw/zinc/83/87/54/821838754.db2.gz IROJWTCAMXYYDE-UHFFFAOYSA-N 1 0 384.307 4.369 20 0 GIADRO Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000181477980 821844124 /nfs/dbraw/zinc/84/41/24/821844124.db2.gz KZVHIMKNFSUMOO-OAQYLSRUSA-N 1 0 394.519 4.051 20 0 GIADRO COc1cc2c(cc1NC(=O)C[N@H+](C)C[C@@H]1CCCC[C@@H]1O)oc1ccccc12 ZINC000181482898 821846012 /nfs/dbraw/zinc/84/60/12/821846012.db2.gz FNZMSQDIFSOYRT-KXBFYZLASA-N 1 0 396.487 4.016 20 0 GIADRO C[C@@H](CCCc1ccccc1)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000181488024 821849022 /nfs/dbraw/zinc/84/90/22/821849022.db2.gz XWDLJOOGDINVJG-PMACEKPBSA-N 1 0 379.548 4.382 20 0 GIADRO Clc1ccccc1[C@@H](C[NH2+]Cc1cccc2cnccc21)N1CCOCC1 ZINC000181503047 821856694 /nfs/dbraw/zinc/85/66/94/821856694.db2.gz OQAYHJFCVHEEFS-JOCHJYFZSA-N 1 0 381.907 4.051 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1ccccc1O ZINC000181505414 821857810 /nfs/dbraw/zinc/85/78/10/821857810.db2.gz VFNRAKDAESQUBK-KDOFPFPSSA-N 1 0 392.421 4.253 20 0 GIADRO CCOC(=O)c1oc2ccccc2c1C[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000181516787 821863288 /nfs/dbraw/zinc/86/32/88/821863288.db2.gz HPBKNLCFLOOPTG-HNNXBMFYSA-N 1 0 390.443 4.041 20 0 GIADRO COc1ccc(-c2csc(NC(=O)[C@H](C)[NH2+][C@H](C)c3cccc(O)c3)n2)cc1 ZINC000181522263 821865513 /nfs/dbraw/zinc/86/55/13/821865513.db2.gz KUJJWOFVQGRKNO-KGLIPLIRSA-N 1 0 397.500 4.202 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@@H](C)Cc2cc(C)nn2-c2ccccc2)cc1OC ZINC000181530261 821868647 /nfs/dbraw/zinc/86/86/47/821868647.db2.gz NWEYYQOJMCINEP-FUHWJXTLSA-N 1 0 379.504 4.480 20 0 GIADRO CCc1c2ccccc2oc1[C@@H](C)[NH2+]Cc1cccc(OCC(=O)N(C)C)c1 ZINC000181531057 821869197 /nfs/dbraw/zinc/86/91/97/821869197.db2.gz CCBMTKURDPFFNN-MRXNPFEDSA-N 1 0 380.488 4.313 20 0 GIADRO C[C@@H](CC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)C(=O)c1ccc(Cl)cc1 ZINC000181534791 821871403 /nfs/dbraw/zinc/87/14/03/821871403.db2.gz OUXRXPLILDHTGJ-LPHOPBHVSA-N 1 0 376.928 4.026 20 0 GIADRO COc1ccc(C)cc1NC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000181535634 821871430 /nfs/dbraw/zinc/87/14/30/821871430.db2.gz FZQJYUOMVMFFBY-UHFFFAOYSA-N 1 0 382.508 4.169 20 0 GIADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)C1(c2ccc(F)cc2F)CCC1 ZINC000181548545 821876553 /nfs/dbraw/zinc/87/65/53/821876553.db2.gz LRLZOLBLYZMTMJ-UHFFFAOYSA-N 1 0 376.491 4.300 20 0 GIADRO COc1ccc(-c2nc(NC(=O)C[NH2+][C@H](C)c3cccc(O)c3)sc2C)cc1 ZINC000181547770 821876631 /nfs/dbraw/zinc/87/66/31/821876631.db2.gz UJCGIQNAZBRIGQ-CYBMUJFWSA-N 1 0 397.500 4.122 20 0 GIADRO CCN(CC)c1ncc(C[NH+]2CCC(OCc3ccccc3OC)CC2)s1 ZINC000181549930 821877560 /nfs/dbraw/zinc/87/75/60/821877560.db2.gz BTNITORXLPIDOE-UHFFFAOYSA-N 1 0 389.565 4.179 20 0 GIADRO COc1ccccc1COC1CC[NH+](Cc2cc(-c3ccccc3)n[nH]2)CC1 ZINC000181550957 821877903 /nfs/dbraw/zinc/87/79/03/821877903.db2.gz USJZSSJEKSLYNV-UHFFFAOYSA-N 1 0 377.488 4.267 20 0 GIADRO CC1(C)[C@H]([NH2+]C[C@@H]2CCN(c3cccc(Br)c3)C2)[C@@H]2CCCO[C@@H]21 ZINC000181570834 821884085 /nfs/dbraw/zinc/88/40/85/821884085.db2.gz BYZCUVPVXXWRGJ-FZDIXFNVSA-N 1 0 393.369 4.069 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(F)cc1F)c1ccc(OCC2CC2)c(F)c1 ZINC000181574503 821885608 /nfs/dbraw/zinc/88/56/08/821885608.db2.gz NQZLBXFSRJHLAD-GFCCVEGCSA-N 1 0 378.394 4.182 20 0 GIADRO Cc1csc(Sc2ccc(NC(=O)N3CCC[N@@H+](C)CC3)c(C)c2)n1 ZINC000181582520 821888691 /nfs/dbraw/zinc/88/86/91/821888691.db2.gz UIYMTKPFWYYWCW-UHFFFAOYSA-N 1 0 376.551 4.081 20 0 GIADRO CCOc1ccc([C@H](CC)[NH2+]Cc2cn(C)nc2C(F)(F)F)cc1OCC ZINC000181583794 821889766 /nfs/dbraw/zinc/88/97/66/821889766.db2.gz PNYJQYZCDMUKMD-HNNXBMFYSA-N 1 0 385.430 4.477 20 0 GIADRO C[C@@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1ccc(F)c(Br)c1 ZINC000181583456 821889786 /nfs/dbraw/zinc/88/97/86/821889786.db2.gz VDHXLWHHSFUJBC-MRVPVSSYSA-N 1 0 380.183 4.191 20 0 GIADRO COc1ccc(C)cc1NC(=O)C[NH2+][C@@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000181591760 821894047 /nfs/dbraw/zinc/89/40/47/821894047.db2.gz HQHBCKURWQDTLZ-HNNXBMFYSA-N 1 0 386.467 4.221 20 0 GIADRO O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000181601051 821897626 /nfs/dbraw/zinc/89/76/26/821897626.db2.gz VBXMVSCWVVYNDQ-KRWDZBQOSA-N 1 0 390.487 4.444 20 0 GIADRO C[N@@H+]1CCCN(C(=O)Nc2cc(C(F)(F)F)ccc2SCC(F)F)CC1 ZINC000181609976 821901751 /nfs/dbraw/zinc/90/17/51/821901751.db2.gz PDGJEMNXHHCQBO-UHFFFAOYSA-N 1 0 397.413 4.232 20 0 GIADRO C[C@H]([NH2+]CCc1ccc(F)c(Br)c1)c1ccc(OCC#N)cc1 ZINC000181613638 821903789 /nfs/dbraw/zinc/90/37/89/821903789.db2.gz QBKBWXSEBDWGLF-ZDUSSCGKSA-N 1 0 377.257 4.384 20 0 GIADRO Cc1noc(C)c1[C@H](C)C[NH2+][C@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000181626906 821910646 /nfs/dbraw/zinc/91/06/46/821910646.db2.gz KWELAKYRROIGGK-VXGBXAGGSA-N 1 0 383.414 4.421 20 0 GIADRO Cc1noc(C)c1[C@@H](C)C[NH2+][C@@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000181627049 821910665 /nfs/dbraw/zinc/91/06/65/821910665.db2.gz HFOJKXLAHXTJLL-RYUDHWBXSA-N 1 0 399.413 4.300 20 0 GIADRO CC1(C)[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)[C@@H]2CCCO[C@@H]21 ZINC000181630599 821913132 /nfs/dbraw/zinc/91/31/32/821913132.db2.gz CFRCNKUEJLBGED-WWNPGLIZSA-N 1 0 388.515 4.228 20 0 GIADRO O=C(Nc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1)c1ccc(F)cc1 ZINC000181637584 821916395 /nfs/dbraw/zinc/91/63/95/821916395.db2.gz AFPUHVQNDOWGJE-HBMCJLEFSA-N 1 0 380.463 4.125 20 0 GIADRO COc1cccc2cc([C@@H](C)[NH2+][C@@H](Cc3ccccc3)C(=O)N3CCCC3)oc21 ZINC000181638732 821917890 /nfs/dbraw/zinc/91/78/90/821917890.db2.gz HBPDVXLYPKGDKV-XLIONFOSSA-N 1 0 392.499 4.326 20 0 GIADRO C[C@@H](NC(=O)CSc1nc2ccccc2s1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181639925 821918238 /nfs/dbraw/zinc/91/82/38/821918238.db2.gz YBWIOFFTIQCUFF-CABCVRRESA-N 1 0 389.590 4.158 20 0 GIADRO COc1cc([C@@H](C)[NH2+]CC2([C@@H](O)c3ccccc3)CC2)ccc1OC(F)F ZINC000181645198 821920252 /nfs/dbraw/zinc/92/02/52/821920252.db2.gz WBFKXVMUHYRRAL-KUHUBIRLSA-N 1 0 377.431 4.461 20 0 GIADRO O=C(c1ccccc1Cl)N1CCC([NH2+]CC2([C@@H](O)c3ccccc3)CC2)CC1 ZINC000181646668 821920910 /nfs/dbraw/zinc/92/09/10/821920910.db2.gz LXMNCZQVNUJDBF-NRFANRHFSA-N 1 0 398.934 4.048 20 0 GIADRO CC(C)[C@H]([NH2+]CC(=O)N1CCC[C@@H](C(F)(F)F)C1)c1ccc(F)cc1F ZINC000181650173 821922932 /nfs/dbraw/zinc/92/29/32/821922932.db2.gz HAVFVUVWWYPNLQ-PXAZEXFGSA-N 1 0 378.385 4.052 20 0 GIADRO CCOc1cc(Cl)ccc1C[NH2+][C@H](C)CC(=O)Nc1cccnc1Cl ZINC000181651941 821923470 /nfs/dbraw/zinc/92/34/70/821923470.db2.gz NPZIVXIHSDGYLT-GFCCVEGCSA-N 1 0 382.291 4.294 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc2cc(C)cc(Br)c2o1 ZINC000181654151 821924988 /nfs/dbraw/zinc/92/49/88/821924988.db2.gz MCODNQYHRQASCO-CABCVRRESA-N 1 0 391.309 4.203 20 0 GIADRO Cc1ccc(C)c(OC2CC[NH+](CC3CCN(C(=O)C(C)(C)C)CC3)CC2)c1 ZINC000181656418 821926200 /nfs/dbraw/zinc/92/62/00/821926200.db2.gz XWNOCALBMPVRKY-UHFFFAOYSA-N 1 0 386.580 4.431 20 0 GIADRO CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000181659683 821928344 /nfs/dbraw/zinc/92/83/44/821928344.db2.gz JGUKEGMKAWAMPR-GDBMZVCRSA-N 1 0 383.460 4.191 20 0 GIADRO C[C@H](NC(=O)CCCc1ncc(-c2ccccc2)o1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181665957 821932919 /nfs/dbraw/zinc/93/29/19/821932919.db2.gz OZYKUWXEMCQGTB-ICSRJNTNSA-N 1 0 395.547 4.434 20 0 GIADRO COC[C@@H](NCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 ZINC000181685529 821943808 /nfs/dbraw/zinc/94/38/08/821943808.db2.gz BYIDDOGPDIZLMY-MRXNPFEDSA-N 1 0 386.801 4.275 20 0 GIADRO COC[C@H]([NH2+]CC(=O)N[C@H](c1cccs1)c1ccc(C)cc1)c1ccccc1 ZINC000181691894 821946039 /nfs/dbraw/zinc/94/60/39/821946039.db2.gz XXDPLGMNTJBKDU-REWPJTCUSA-N 1 0 394.540 4.239 20 0 GIADRO COC[C@@H]([NH2+]CC(=O)N[C@@H](c1cccs1)c1ccc(C)cc1)c1ccccc1 ZINC000181691951 821946058 /nfs/dbraw/zinc/94/60/58/821946058.db2.gz XXDPLGMNTJBKDU-NFBKMPQASA-N 1 0 394.540 4.239 20 0 GIADRO O=C(CC[N@@H+]1CCCCC[C@H]1c1ccco1)Nc1cc([N+](=O)[O-])ccc1F ZINC000181711220 821955248 /nfs/dbraw/zinc/95/52/48/821955248.db2.gz VEXHZJKIWBAXJL-KRWDZBQOSA-N 1 0 375.400 4.273 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CCOCc2ccc(Cl)cc2)cc1NC(C)=O ZINC000181711638 821955911 /nfs/dbraw/zinc/95/59/11/821955911.db2.gz JQHQXJMXPSHNGJ-AWEZNQCLSA-N 1 0 376.884 4.174 20 0 GIADRO COc1cc([C@@H](C)[NH2+]CCOCc2ccc(Cl)cc2)cc(OC)c1OC ZINC000181712231 821955927 /nfs/dbraw/zinc/95/59/27/821955927.db2.gz URZACIANNRWATN-CQSZACIVSA-N 1 0 379.884 4.233 20 0 GIADRO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@H](C)[C@@H]1COc2ccccc21 ZINC000181720558 821960224 /nfs/dbraw/zinc/96/02/24/821960224.db2.gz QCLCISGWGFHYEJ-QINHECLXSA-N 1 0 386.923 4.231 20 0 GIADRO CCCOc1ccccc1[C@H](CC(C)C)[NH2+]Cc1cc(=O)n2ccccc2n1 ZINC000181719598 821960232 /nfs/dbraw/zinc/96/02/32/821960232.db2.gz KVHYFOYHNMCTPN-FQEVSTJZSA-N 1 0 379.504 4.360 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(N(C)C)n1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000181731927 821966256 /nfs/dbraw/zinc/96/62/56/821966256.db2.gz GSKGEDOCKDYKRM-VQIMIIECSA-N 1 0 387.499 4.085 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)c1ccc([S@](C)=O)cc1 ZINC000181737571 821969515 /nfs/dbraw/zinc/96/95/15/821969515.db2.gz OASSNVYIHUPCSH-DATFLNOSSA-N 1 0 394.943 4.313 20 0 GIADRO CCC(CC)[C@H]1C[C@H](NC(=O)Nc2ccc(C)cc2OCC[NH+](C)C)CCO1 ZINC000181739687 821970644 /nfs/dbraw/zinc/97/06/44/821970644.db2.gz SMNMHVVRAABYPN-UYAOXDASSA-N 1 0 391.556 4.041 20 0 GIADRO CN(Cc1ccccc1)c1ccc(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000181746077 821973778 /nfs/dbraw/zinc/97/37/78/821973778.db2.gz XGOQDEYFICNPIB-OAQYLSRUSA-N 1 0 392.547 4.273 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@@H](C)c2ccc(-n3ccnn3)cc2)ccc1OC(F)F ZINC000181748128 821974396 /nfs/dbraw/zinc/97/43/96/821974396.db2.gz PDZOZHIUIOTYFX-KBPBESRZSA-N 1 0 388.418 4.289 20 0 GIADRO CCN(CC)C(=O)c1ccc(NC(=O)C[NH2+][C@@H](C)c2cc3ccccc3o2)cc1 ZINC000181765240 821982993 /nfs/dbraw/zinc/98/29/93/821982993.db2.gz CWMIEERBROQIJK-INIZCTEOSA-N 1 0 393.487 4.204 20 0 GIADRO C[C@H]([NH2+]CC(=O)NCCc1nc2ccccc2s1)c1cc2ccccc2o1 ZINC000181770352 821985721 /nfs/dbraw/zinc/98/57/21/821985721.db2.gz UBHHHNIJWCKDKY-AWEZNQCLSA-N 1 0 379.485 4.052 20 0 GIADRO CCOc1cccc2cc([C@@H](C)[NH2+]C[C@H](O)c3cc(OC)cc(OC)c3)oc21 ZINC000181771703 821986470 /nfs/dbraw/zinc/98/64/70/821986470.db2.gz WZSYIOXJDMQMBA-KUHUBIRLSA-N 1 0 385.460 4.233 20 0 GIADRO CC[C@H](NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1cc(F)cc(Br)c1 ZINC000181774870 821987667 /nfs/dbraw/zinc/98/76/67/821987667.db2.gz DELJBHWYZMARAX-LIRRHRJNSA-N 1 0 399.348 4.130 20 0 GIADRO C[C@@H]([NH2+]CC(=O)NCCc1ccc(OC(F)F)cc1)c1cc2ccccc2o1 ZINC000181777000 821988055 /nfs/dbraw/zinc/98/80/55/821988055.db2.gz KGCSLQCRIFMYMU-CQSZACIVSA-N 1 0 388.414 4.044 20 0 GIADRO COc1cc(OC)c(NC(=O)C[NH2+][C@@H](C)C(C)(C)c2ccccc2)cc1Cl ZINC000181786392 821991208 /nfs/dbraw/zinc/99/12/08/821991208.db2.gz DVRAVXYXNYCXNW-AWEZNQCLSA-N 1 0 390.911 4.252 20 0 GIADRO C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1c1ccccc1)c1ccc(OCc2nccn2C)cc1 ZINC000181786701 821992166 /nfs/dbraw/zinc/99/21/66/821992166.db2.gz GKALUCQMKFOSIL-JKFKMHIGSA-N 1 0 390.531 4.095 20 0 GIADRO Cc1cc(C)c2c(c1)[C@@H]([NH2+]C[C@@H]1CC(=O)N(Cc3ccccc3)C1)CCCO2 ZINC000181813530 822003711 /nfs/dbraw/zinc/00/37/11/822003711.db2.gz KWOPCMSMVLNNFK-UNMCSNQZSA-N 1 0 378.516 4.155 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1OCC ZINC000181814967 822004082 /nfs/dbraw/zinc/00/40/82/822004082.db2.gz ZPMXCCXPDAELMS-UYAOXDASSA-N 1 0 396.531 4.183 20 0 GIADRO Cc1ccc2c(C[NH2+][C@H](CC(=O)OC(C)C)c3ccccc3)cc(=O)oc2c1 ZINC000181819249 822005277 /nfs/dbraw/zinc/00/52/77/822005277.db2.gz TZDOIRBGAMZSDR-HXUWFJFHSA-N 1 0 379.456 4.274 20 0 GIADRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccccc2Br)cc1[N+](=O)[O-] ZINC000181829900 822010046 /nfs/dbraw/zinc/01/00/46/822010046.db2.gz ACRDRARVJUHYEF-YVEFUNNKSA-N 1 0 379.254 4.050 20 0 GIADRO CC[C@@H]([NH2+]CC(=O)N[C@@H](c1nccs1)c1ccccc1)c1ccc(OC)cc1 ZINC000181843857 822015147 /nfs/dbraw/zinc/01/51/47/822015147.db2.gz GQFPJPSKZWSTNG-TZIWHRDSSA-N 1 0 395.528 4.098 20 0 GIADRO Cc1c(NC(=O)N(CC[NH+](C)C)C(C)C)cccc1C(=O)Nc1ccccc1 ZINC000181850712 822016654 /nfs/dbraw/zinc/01/66/54/822016654.db2.gz ZFMDVUTYUOCNGC-UHFFFAOYSA-N 1 0 382.508 4.051 20 0 GIADRO CCOc1cccc2cc([C@@H](C)[NH2+]Cc3ccccc3CS(C)(=O)=O)oc21 ZINC000181858655 822018515 /nfs/dbraw/zinc/01/85/15/822018515.db2.gz RVKZMOGVOJEINW-OAHLLOKOSA-N 1 0 387.501 4.227 20 0 GIADRO C[C@H]([NH2+]CC(=O)N1CCSc2ccccc21)c1cccc(N2CCCC2)c1 ZINC000181864324 822019921 /nfs/dbraw/zinc/01/99/21/822019921.db2.gz KKXKVVAVAJTFNP-KRWDZBQOSA-N 1 0 381.545 4.076 20 0 GIADRO C[C@@H]([NH2+]C[C@H](O)c1cccc(Br)c1)c1cccc(N2CCCC2)c1 ZINC000181870108 822021609 /nfs/dbraw/zinc/02/16/09/822021609.db2.gz BXXYRHDEGSFWOI-QRWLVFNGSA-N 1 0 389.337 4.434 20 0 GIADRO Cc1cc(C)c(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)c(Cl)n1 ZINC000181878593 822024466 /nfs/dbraw/zinc/02/44/66/822024466.db2.gz GRLSFCBKABQPOB-UHFFFAOYSA-N 1 0 389.952 4.461 20 0 GIADRO COc1cccc2cc([C@H](C)[NH2+][C@@H]3CCN(C(=O)CCc4ccccc4)C3)oc21 ZINC000181890491 822028186 /nfs/dbraw/zinc/02/81/86/822028186.db2.gz DLUAJFFUKZKPHH-FXAWDEMLSA-N 1 0 392.499 4.326 20 0 GIADRO CC(C)[C@H]([NH2+]Cc1cc(=O)n2ccccc2n1)c1cccc(C(F)(F)F)c1 ZINC000181892970 822028540 /nfs/dbraw/zinc/02/85/40/822028540.db2.gz RASYVGKSQDENFC-IBGZPJMESA-N 1 0 375.394 4.200 20 0 GIADRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000181901917 822031672 /nfs/dbraw/zinc/03/16/72/822031672.db2.gz QGIURIGQBGCPJT-LBPRGKRZSA-N 1 0 397.353 4.091 20 0 GIADRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@H](C)c2cccc(OC(F)(F)F)c2)c(C#N)c1C ZINC000181908889 822034210 /nfs/dbraw/zinc/03/42/10/822034210.db2.gz QGFIKHIWCHUTJL-NEPJUHHUSA-N 1 0 395.381 4.345 20 0 GIADRO CCOC(=O)N1CCC([NH2+]C(c2cccc(OC)c2)c2cccc(OC)c2)CC1 ZINC000181918932 822036528 /nfs/dbraw/zinc/03/65/28/822036528.db2.gz LLOSHQPDVCIILC-UHFFFAOYSA-N 1 0 398.503 4.004 20 0 GIADRO CCN(CC)[C@H](C[NH2+][C@@H](C)c1ccc(NC(C)=O)cc1)c1cccc(OC)c1 ZINC000181925199 822037832 /nfs/dbraw/zinc/03/78/32/822037832.db2.gz WRMGFIHUQFUUDI-GAJHUEQPSA-N 1 0 383.536 4.387 20 0 GIADRO COc1ccc([C@H](O)C[NH2+]C2CCC(O)(c3ccc(C(C)C)cc3)CC2)cc1 ZINC000181931074 822038739 /nfs/dbraw/zinc/03/87/39/822038739.db2.gz SOAPWDZZTODOOU-SHSGKGFPSA-N 1 0 383.532 4.272 20 0 GIADRO CCOc1cccc2cc([C@H](C)[NH2+]CC(=O)N3CCc4sccc4C3)oc21 ZINC000181930635 822038749 /nfs/dbraw/zinc/03/87/49/822038749.db2.gz DLSVIPCIXUTQKA-AWEZNQCLSA-N 1 0 384.501 4.129 20 0 GIADRO CC(C)n1nc(-c2ccccc2)cc1NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000181932320 822039068 /nfs/dbraw/zinc/03/90/68/822039068.db2.gz NWKYLAPVYFZKGM-SFHVURJKSA-N 1 0 381.524 4.081 20 0 GIADRO CCn1c(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C(C)C)nc2c1cccc2F ZINC000181989604 822055066 /nfs/dbraw/zinc/05/50/66/822055066.db2.gz AOXMWFGZFOOMHF-NRFANRHFSA-N 1 0 383.467 4.453 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1nccs1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000182012800 822062184 /nfs/dbraw/zinc/06/21/84/822062184.db2.gz HCXWTQUETDKKOC-CQSZACIVSA-N 1 0 385.464 4.151 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1ccncc1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000182017899 822064093 /nfs/dbraw/zinc/06/40/93/822064093.db2.gz WFEANDQLXVFORC-MRXNPFEDSA-N 1 0 379.435 4.089 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)cc1F ZINC000182023445 822065918 /nfs/dbraw/zinc/06/59/18/822065918.db2.gz WTAKKGLLYIZCQB-CABCVRRESA-N 1 0 384.451 4.451 20 0 GIADRO CC(=O)Nc1ccc([C@H](C)[NH2+]CCc2ccc(F)c(Br)c2)cc1 ZINC000182023876 822066330 /nfs/dbraw/zinc/06/63/30/822066330.db2.gz GJMYAPKMBZKMAN-LBPRGKRZSA-N 1 0 379.273 4.440 20 0 GIADRO CCOc1cccc2cc([C@@H](C)[NH2+]CCS(=O)(=O)c3ccc(F)cc3)oc21 ZINC000182025953 822066819 /nfs/dbraw/zinc/06/68/19/822066819.db2.gz RNDRZMGSKLAZSX-CQSZACIVSA-N 1 0 391.464 4.095 20 0 GIADRO COc1ccccc1[C@H](NC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1)c1noc(C)n1 ZINC000182032156 822068204 /nfs/dbraw/zinc/06/82/04/822068204.db2.gz CQJAQKBAPVLEGY-NBCNXNJRSA-N 1 0 398.551 4.109 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(NC(=O)OC(C)(C)C)c1)c1ccc(-n2ccnn2)cc1 ZINC000182037150 822069837 /nfs/dbraw/zinc/06/98/37/822069837.db2.gz QVOKLBBHDLRWQR-INIZCTEOSA-N 1 0 393.491 4.465 20 0 GIADRO COc1ccc(C[NH2+][C@H](C)c2ccc(NC(C)=O)cc2)cc1Br ZINC000182046907 822072598 /nfs/dbraw/zinc/07/25/98/822072598.db2.gz BNILEUICFRBXBJ-GFCCVEGCSA-N 1 0 377.282 4.267 20 0 GIADRO CCC[C@H]([NH2+][C@H](C)c1ccc(NC(C)=O)cc1)C(=O)N1CCc2sccc2C1 ZINC000182050841 822074117 /nfs/dbraw/zinc/07/41/17/822074117.db2.gz ZUPFQJPKHUDQHO-QRWLVFNGSA-N 1 0 399.560 4.111 20 0 GIADRO CC[C@@H](CC(=O)Nc1ccccc1C[NH+]1CCC(O)CC1)c1ccc(OC)cc1 ZINC000182066745 822080263 /nfs/dbraw/zinc/08/02/63/822080263.db2.gz NFBKROFSELXBDG-SFHVURJKSA-N 1 0 396.531 4.174 20 0 GIADRO O=C(CCc1ccc2ccccc2c1)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC000182067677 822080320 /nfs/dbraw/zinc/08/03/20/822080320.db2.gz JMGPLBYNLWEWGN-UHFFFAOYSA-N 1 0 388.511 4.368 20 0 GIADRO Cc1cc(OCC(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)ccc1C(C)C ZINC000182069960 822081236 /nfs/dbraw/zinc/08/12/36/822081236.db2.gz JOVRIXXUWXTVRO-UHFFFAOYSA-N 1 0 396.531 4.093 20 0 GIADRO CC(C)Sc1ccc(C(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000182070226 822081304 /nfs/dbraw/zinc/08/13/04/822081304.db2.gz UXQTVUYLXNMEHF-UHFFFAOYSA-N 1 0 384.545 4.396 20 0 GIADRO Cc1cccc(COc2ccc([C@@H](C)[NH2+]CC(=O)N(C)c3nccs3)cc2)c1 ZINC000182070724 822081830 /nfs/dbraw/zinc/08/18/30/822081830.db2.gz SCEOUKKIAULWQT-QGZVFWFLSA-N 1 0 395.528 4.344 20 0 GIADRO CCOc1cccc2cc([C@H](C)[NH2+][C@H](C)Cn3ncc4ccccc4c3=O)oc21 ZINC000182092331 822090635 /nfs/dbraw/zinc/09/06/35/822090635.db2.gz DBLLBXRYDRJJHP-CVEARBPZSA-N 1 0 391.471 4.281 20 0 GIADRO COC(=O)c1ccc(C[NH2+][C@H](C)c2ccc(OC)c(Br)c2)s1 ZINC000182095087 822092192 /nfs/dbraw/zinc/09/21/92/822092192.db2.gz BLLZXCWBRVYPDR-SNVBAGLBSA-N 1 0 384.295 4.157 20 0 GIADRO C[S@](=O)C[C@H]([NH2+]Cc1cccc(OCc2ccccc2)c1)c1ccccc1 ZINC000182100030 822093379 /nfs/dbraw/zinc/09/33/79/822093379.db2.gz GPODLUVKQAHNGZ-HOFKKMOUSA-N 1 0 379.525 4.475 20 0 GIADRO Cc1cc(C[NH2+][C@H](C[S@@](C)=O)c2ccccc2)ccc1Oc1cccnc1 ZINC000182100996 822093934 /nfs/dbraw/zinc/09/39/34/822093934.db2.gz INGXUVXHNZRMBL-JIPXPUAJSA-N 1 0 380.513 4.392 20 0 GIADRO CC[C@H]1Oc2cc([C@@H](C)[NH2+][C@@H](C)c3ccc(NC(C)=O)cc3)ccc2NC1=O ZINC000182105488 822095752 /nfs/dbraw/zinc/09/57/52/822095752.db2.gz BJVHBIYTVXHFQB-LRDNONRASA-N 1 0 381.476 4.166 20 0 GIADRO COC(=O)c1ccc(F)c(C[NH2+][C@H](C)c2cccc(OCc3ccccn3)c2)c1 ZINC000182107998 822096780 /nfs/dbraw/zinc/09/67/80/822096780.db2.gz HGXCIGUMYCFZDJ-MRXNPFEDSA-N 1 0 394.446 4.437 20 0 GIADRO CC(C)Sc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000182111567 822098436 /nfs/dbraw/zinc/09/84/36/822098436.db2.gz FQEHXVSBHVZAEP-UONOGXRCSA-N 1 0 398.532 4.035 20 0 GIADRO C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]Cc1ccc(Cl)cn1 ZINC000182120098 822102147 /nfs/dbraw/zinc/10/21/47/822102147.db2.gz VAOSMNZMMIALIJ-NSHDSACASA-N 1 0 387.789 4.141 20 0 GIADRO CC(C)(C)OC(=O)c1ccccc1NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000182159277 822123240 /nfs/dbraw/zinc/12/32/40/822123240.db2.gz ZAEANAJWKKPAHT-UHFFFAOYSA-N 1 0 375.513 4.026 20 0 GIADRO COCC[C@H](Cc1cccc(F)c1)[NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000182163618 822126072 /nfs/dbraw/zinc/12/60/72/822126072.db2.gz MEPMRJSEHXAEFD-JRGCBEDISA-N 1 0 379.422 4.171 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCCOc2cc(Cl)ccc21)c1ccc(NS(C)(=O)=O)cc1 ZINC000182167575 822127706 /nfs/dbraw/zinc/12/77/06/822127706.db2.gz HYWSEXGDHALSER-FZKQIMNGSA-N 1 0 394.924 4.276 20 0 GIADRO COC(=O)c1ccc(-c2nc(C[N@H+](C[C@H]3CCCO3)C3CCCC3)co2)cc1 ZINC000182191794 822140161 /nfs/dbraw/zinc/14/01/61/822140161.db2.gz UXBBXCPFNSTBSI-HXUWFJFHSA-N 1 0 384.476 4.052 20 0 GIADRO Cc1nc(C(C)(C)[NH2+]C[C@H](O)COc2ccccc2C(F)(F)F)sc1C ZINC000182193927 822141224 /nfs/dbraw/zinc/14/12/24/822141224.db2.gz GYRHBYRGNPXUNE-ZDUSSCGKSA-N 1 0 388.455 4.043 20 0 GIADRO C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc(F)cc1Cl ZINC000182244211 822164894 /nfs/dbraw/zinc/16/48/94/822164894.db2.gz PMGGIWNHSDXVGW-DNVCBOLYSA-N 1 0 376.903 4.287 20 0 GIADRO C[C@@H](CCNC(=O)Cc1csc(-c2ccccc2Cl)n1)[NH+]1CCCCC1 ZINC000182246883 822166060 /nfs/dbraw/zinc/16/60/60/822166060.db2.gz KPMJVVNONOCFNA-HNNXBMFYSA-N 1 0 391.968 4.387 20 0 GIADRO COc1ccc(NC(=O)C[C@H](C)[NH2+]C2(c3cccc(Cl)c3)CC2)c(OC)c1 ZINC000182258259 822173101 /nfs/dbraw/zinc/17/31/01/822173101.db2.gz CUIFKNZRGOGPCG-AWEZNQCLSA-N 1 0 388.895 4.353 20 0 GIADRO C[C@H]([NH2+]C1(c2cccc(Br)c2)CC1)c1ccc(-n2cncn2)cc1 ZINC000182274026 822182528 /nfs/dbraw/zinc/18/25/28/822182528.db2.gz CWDCHTFQGFFNFL-AWEZNQCLSA-N 1 0 383.293 4.370 20 0 GIADRO CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000182301446 822193213 /nfs/dbraw/zinc/19/32/13/822193213.db2.gz XWLNZSSHMZUMNK-STQMWFEESA-N 1 0 394.427 4.042 20 0 GIADRO CC(C)c1cccc(OCC(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)c1 ZINC000182356994 822213488 /nfs/dbraw/zinc/21/34/88/822213488.db2.gz KAPNJSODHIZICO-UHFFFAOYSA-N 1 0 395.547 4.358 20 0 GIADRO Cc1ccc(CCCC(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)cc1 ZINC000182356730 822213634 /nfs/dbraw/zinc/21/36/34/822213634.db2.gz CMJKZDPIUCIKEJ-UHFFFAOYSA-N 1 0 379.548 4.487 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3ccc(OCC4CC4)cc3)cc2)CC1 ZINC000182359909 822214927 /nfs/dbraw/zinc/21/49/27/822214927.db2.gz VWAAUYKYOBGVRP-UHFFFAOYSA-N 1 0 393.531 4.258 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3ccc(-n4cccc4)cc3)cc2)CC1 ZINC000182364368 822216302 /nfs/dbraw/zinc/21/63/02/822216302.db2.gz LEZMMASTHSXGMV-UHFFFAOYSA-N 1 0 388.515 4.260 20 0 GIADRO COc1ccc([C@H](CCO)[NH2+]CC(=O)Nc2ccccc2-c2ccccc2)cc1 ZINC000182380388 822222350 /nfs/dbraw/zinc/22/23/50/822222350.db2.gz JHGXKKRNKXGBQV-QFIPXVFZSA-N 1 0 390.483 4.014 20 0 GIADRO C[C@H](NCC1(C[NH2+][C@@H](C)c2cccc(F)c2F)COC1)c1cccc(F)c1F ZINC000182444707 822244523 /nfs/dbraw/zinc/24/45/23/822244523.db2.gz NGLPEGRRZDMFHO-KBPBESRZSA-N 1 0 396.428 4.261 20 0 GIADRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2c(C)nn(Cc3ccccc3)c2Cl)c1 ZINC000182447190 822245830 /nfs/dbraw/zinc/24/58/30/822245830.db2.gz LYWSDCYLFKPKOX-CQSZACIVSA-N 1 0 385.895 4.458 20 0 GIADRO CC[C@H]([NH2+]C[C@H](c1ccccc1)N1CCc2sccc2C1)c1nccn1C ZINC000182451754 822247455 /nfs/dbraw/zinc/24/74/55/822247455.db2.gz NCLSYXOFGLEGRO-VQTJNVASSA-N 1 0 380.561 4.322 20 0 GIADRO CC[C@@H]([NH2+]C[C@@H](c1ccccc1)N1CCc2sccc2C1)c1nccn1C ZINC000182451737 822247484 /nfs/dbraw/zinc/24/74/84/822247484.db2.gz NCLSYXOFGLEGRO-UXHICEINSA-N 1 0 380.561 4.322 20 0 GIADRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)C(=O)Nc2c3ccccc3oc2C(C)=O)c1 ZINC000182453553 822247967 /nfs/dbraw/zinc/24/79/67/822247967.db2.gz FZBBGJYUUCRPCD-QWHCGFSZSA-N 1 0 396.443 4.027 20 0 GIADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)NC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000182458013 822250142 /nfs/dbraw/zinc/25/01/42/822250142.db2.gz QGLKQCQGBTZZGI-NQIIRXRSSA-N 1 0 399.485 4.180 20 0 GIADRO Cc1ccc(Br)c(C(=O)NCc2ccccc2C[NH+]2CCCC2)c1 ZINC000177955100 822256409 /nfs/dbraw/zinc/25/64/09/822256409.db2.gz ZUEYVBJQBOUVLI-UHFFFAOYSA-N 1 0 387.321 4.283 20 0 GIADRO Cc1cc(Br)cc(C[NH2+]C2(c3cccc(F)c3)CCOCC2)c1O ZINC000182478751 822258696 /nfs/dbraw/zinc/25/86/96/822258696.db2.gz VKGIQESPWGHNRZ-UHFFFAOYSA-N 1 0 394.284 4.398 20 0 GIADRO O=C(c1ccccc1Cl)N1CCC([NH2+]Cc2coc(-c3ccccc3)n2)CC1 ZINC000177968255 822261451 /nfs/dbraw/zinc/26/14/51/822261451.db2.gz ZLDSCTRJZXFCSQ-UHFFFAOYSA-N 1 0 395.890 4.389 20 0 GIADRO COCCOc1ccc([C@@H](C)[NH2+]C2CCN(CCc3ccccc3)CC2)cc1 ZINC000177969036 822262307 /nfs/dbraw/zinc/26/23/07/822262307.db2.gz VDBLXMQRJBAPTC-HXUWFJFHSA-N 1 0 382.548 4.070 20 0 GIADRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(Cl)cc1)c1cnc2ccsc2c1 ZINC000177970475 822262562 /nfs/dbraw/zinc/26/25/62/822262562.db2.gz RMDJPHFYMZHODB-GFCCVEGCSA-N 1 0 380.922 4.074 20 0 GIADRO CCCN(C(=O)c1cccs1)C1CC[NH+](CCC(=O)c2ccccc2)CC1 ZINC000182495521 822266701 /nfs/dbraw/zinc/26/67/01/822266701.db2.gz RWCOGNIEQMALCI-UHFFFAOYSA-N 1 0 384.545 4.338 20 0 GIADRO CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]CC(=O)N1CCCc2ccccc21 ZINC000177982206 822268535 /nfs/dbraw/zinc/26/85/35/822268535.db2.gz OQVQABDIZPECTC-SFHVURJKSA-N 1 0 393.531 4.096 20 0 GIADRO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2cc(Br)c(F)cc2Cl)C1 ZINC000177992592 822273562 /nfs/dbraw/zinc/27/35/62/822273562.db2.gz FRPOZBUJUXZHOU-SNVBAGLBSA-N 1 0 392.700 4.095 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(CN2CCCC2=O)c1)c1ccc(F)cc1OC(F)F ZINC000177996129 822275706 /nfs/dbraw/zinc/27/57/06/822275706.db2.gz SFFJMFGEGCYXOY-CQSZACIVSA-N 1 0 392.421 4.400 20 0 GIADRO Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)Nc3cccc(C[NH+](C)C)c3)cc2)n1 ZINC000178011728 822281461 /nfs/dbraw/zinc/28/14/61/822281461.db2.gz IUBSWWAVOKNIJC-SFHVURJKSA-N 1 0 391.519 4.433 20 0 GIADRO O=C(Nc1cc(F)ccc1OC(F)F)NC1CC[NH+](CC2CCCC2)CC1 ZINC000178015165 822283414 /nfs/dbraw/zinc/28/34/14/822283414.db2.gz FHLOZSFUGTUNAJ-UHFFFAOYSA-N 1 0 385.430 4.203 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCCO2)c1cccc(N2CCOC2=O)c1 ZINC000178020160 822284987 /nfs/dbraw/zinc/28/49/87/822284987.db2.gz BXDUDVLPOMDDID-CVEARBPZSA-N 1 0 382.460 4.216 20 0 GIADRO Cc1ccc(-c2cc(C[NH2+][C@H](C)c3cccc(N4CCOC4=O)c3)on2)cc1 ZINC000178026381 822288859 /nfs/dbraw/zinc/28/88/59/822288859.db2.gz BCXKLCCHTGOZSM-MRXNPFEDSA-N 1 0 377.444 4.457 20 0 GIADRO CC[C@@H]([NH2+][C@@H]1CCSc2ccccc21)c1ccccc1OCC(=O)N(C)C ZINC000178027925 822289401 /nfs/dbraw/zinc/28/94/01/822289401.db2.gz LKKLCIPHSYVNQF-RTBURBONSA-N 1 0 384.545 4.431 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CCCc2nc(-c3ccc(C)c(F)c3)no2)c1 ZINC000182540864 822292237 /nfs/dbraw/zinc/29/22/37/822292237.db2.gz XVIODUHBCDVVQI-OAHLLOKOSA-N 1 0 396.466 4.426 20 0 GIADRO CCOc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(OC[C@H]3CCCO3)cc1)CCO2 ZINC000178043924 822296660 /nfs/dbraw/zinc/29/66/60/822296660.db2.gz MCRSVDNMLUZGAA-IRLDBZIGSA-N 1 0 383.488 4.257 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(COc3ccccc3)c2C)C1 ZINC000178045646 822297806 /nfs/dbraw/zinc/29/78/06/822297806.db2.gz YMEPHBYLFXYJFZ-LJQANCHMSA-N 1 0 381.520 4.380 20 0 GIADRO C[C@H]([NH2+]CCc1csc2ccccc12)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000178047759 822299124 /nfs/dbraw/zinc/29/91/24/822299124.db2.gz PPDSZKFUYZQSFX-ZDUSSCGKSA-N 1 0 377.506 4.337 20 0 GIADRO Cc1ccc(-c2cc(C[N@@H+]3CCC[C@H](CNC(=O)c4ccccc4)C3)on2)cc1 ZINC000178050996 822300989 /nfs/dbraw/zinc/30/09/89/822300989.db2.gz HCSLHSZCVUYPSM-LJQANCHMSA-N 1 0 389.499 4.292 20 0 GIADRO C[C@H]([NH2+]CC(=O)N(C)c1ccccc1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000182557224 822301238 /nfs/dbraw/zinc/30/12/38/822301238.db2.gz NAINSSHUOXWZJK-SFHVURJKSA-N 1 0 387.483 4.253 20 0 GIADRO CCNS(=O)(=O)c1ccc(C[NH2+][C@H](Cc2ccccc2)c2ccccc2)cc1 ZINC000178058110 822304696 /nfs/dbraw/zinc/30/46/96/822304696.db2.gz SRXGCLQOBLUGPW-HSZRJFAPSA-N 1 0 394.540 4.058 20 0 GIADRO CCN(CC)C(=O)CCC1CC[NH+](CCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000182571026 822307593 /nfs/dbraw/zinc/30/75/93/822307593.db2.gz GURVVHZIHULADE-UHFFFAOYSA-N 1 0 393.959 4.029 20 0 GIADRO CC(C)C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000178081949 822311585 /nfs/dbraw/zinc/31/15/85/822311585.db2.gz LESBDRDVFXEZQZ-PXJNRBPISA-N 1 0 382.570 4.014 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@@H]2CCc3cc(F)ccc32)ccc1S(=O)(=O)C(F)F ZINC000178088806 822314773 /nfs/dbraw/zinc/31/47/73/822314773.db2.gz YHVCHEFHOGYZOQ-MEDUHNTESA-N 1 0 399.434 4.169 20 0 GIADRO CC[C@@H]([NH2+]CC(=O)Nc1ccccc1N1CCCC1=O)c1cccc(Cl)c1 ZINC000182599673 822318153 /nfs/dbraw/zinc/31/81/53/822318153.db2.gz AKAWSXNSQGSXCY-QGZVFWFLSA-N 1 0 385.895 4.146 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@H](c1cccc(F)c1)C(C)(C)C ZINC000178104553 822321677 /nfs/dbraw/zinc/32/16/77/822321677.db2.gz ICNPMZRVVWYZSF-HXUWFJFHSA-N 1 0 399.510 4.038 20 0 GIADRO Cc1nc(CSc2nnc([C@@H](C)N(C)C)n2-c2ccc(F)cc2)sc1C ZINC000178108030 822322457 /nfs/dbraw/zinc/32/24/57/822322457.db2.gz LBAXDAFOMSNIMA-GFCCVEGCSA-N 1 0 391.541 4.395 20 0 GIADRO O=C(Nc1cccc(OCc2ccccn2)c1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178120028 822325520 /nfs/dbraw/zinc/32/55/20/822325520.db2.gz DKNRNKTXUGGMBH-GOSISDBHSA-N 1 0 379.504 4.254 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+][C@H](c2ccccc2)[C@@H]2CCCO2)cc1 ZINC000178122850 822326111 /nfs/dbraw/zinc/32/61/11/822326111.db2.gz ANXJVTVGHXCDEJ-TYCQWZJGSA-N 1 0 388.533 4.019 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]CC(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000178133250 822328459 /nfs/dbraw/zinc/32/84/59/822328459.db2.gz XNKDCGQPSHFQFQ-GOSISDBHSA-N 1 0 376.504 4.395 20 0 GIADRO COc1cc(OC)c([C@H](C)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1Cl ZINC000182627351 822328730 /nfs/dbraw/zinc/32/87/30/822328730.db2.gz LOYDEGKTBUHADT-HNNXBMFYSA-N 1 0 389.927 4.282 20 0 GIADRO COc1cc(NC(=O)C[NH2+][C@@H](C)c2cc3ccccc3o2)c(OC)cc1Cl ZINC000182627032 822328963 /nfs/dbraw/zinc/32/89/63/822328963.db2.gz MJTPQDXEKKHRFI-LBPRGKRZSA-N 1 0 388.851 4.393 20 0 GIADRO COc1ccc(CN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c2cc3ccccc3o2)cc1OC ZINC000182629202 822330217 /nfs/dbraw/zinc/33/02/17/822330217.db2.gz HBLJFCVGQNFXQU-JKSUJKDBSA-N 1 0 396.487 4.148 20 0 GIADRO COc1cc(OC)c(NC(=O)C[NH2+][C@H](C)c2cc3ccccc3o2)cc1Cl ZINC000182633432 822331853 /nfs/dbraw/zinc/33/18/53/822331853.db2.gz AYYIKPMROMDCRL-GFCCVEGCSA-N 1 0 388.851 4.393 20 0 GIADRO C[C@H]([NH2+]C1CCN(Cc2ccccn2)CC1)c1cc(Br)ccc1F ZINC000178168786 822339511 /nfs/dbraw/zinc/33/95/11/822339511.db2.gz MJMOSURLHMFYEQ-AWEZNQCLSA-N 1 0 392.316 4.298 20 0 GIADRO O=C(NCC[NH2+][C@@H]1CC2(CCCC2)Oc2ccccc21)c1ccccc1Cl ZINC000178172634 822340820 /nfs/dbraw/zinc/34/08/20/822340820.db2.gz BAIFPTKFTLXMKU-LJQANCHMSA-N 1 0 384.907 4.496 20 0 GIADRO CC[C@H]([NH2+]CCNC(=O)c1ccccc1Cl)c1ccc(OC(F)F)cc1 ZINC000178172134 822340921 /nfs/dbraw/zinc/34/09/21/822340921.db2.gz OBRLNHUNWUDNRP-KRWDZBQOSA-N 1 0 382.838 4.412 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccc2ccccc2n1 ZINC000178197426 822349521 /nfs/dbraw/zinc/34/95/21/822349521.db2.gz OJSFXWXCSSWYHE-HXOBKFHXSA-N 1 0 379.479 4.098 20 0 GIADRO O=C(Nc1ccc(F)cc1OCC(F)(F)F)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178200238 822350338 /nfs/dbraw/zinc/35/03/38/822350338.db2.gz QSBDCHGEARWWTN-ZDUSSCGKSA-N 1 0 388.405 4.360 20 0 GIADRO COC[C@@H](NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(F)c(F)c1 ZINC000182691922 822352664 /nfs/dbraw/zinc/35/26/64/822352664.db2.gz AMLPGDFNPVAXRX-MGPUTAFESA-N 1 0 380.504 4.216 20 0 GIADRO COc1cc(CCC(=O)Nc2ccc([C@@H](C)[NH3+])cc2)ccc1OCC(F)(F)F ZINC000178219339 822355133 /nfs/dbraw/zinc/35/51/33/822355133.db2.gz ZBXDBYQUOVVFEZ-CYBMUJFWSA-N 1 0 396.409 4.227 20 0 GIADRO O=C(Nc1ccccc1OCC(F)F)NC1CC[NH+](CC2CCCC2)CC1 ZINC000178242610 822357879 /nfs/dbraw/zinc/35/78/79/822357879.db2.gz RFVYVGKQBPPEEL-UHFFFAOYSA-N 1 0 381.467 4.107 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1)c1ccc2c(c1)COC2 ZINC000453404849 822358457 /nfs/dbraw/zinc/35/84/57/822358457.db2.gz NZXUVLXRFUHXNX-GQWLDOHISA-N 1 0 390.449 4.398 20 0 GIADRO COc1ccc([C@H](Cc2ccccc2)[NH2+][C@H]2CCO[C@@H](c3nccn3C)C2)cc1 ZINC000453405468 822358475 /nfs/dbraw/zinc/35/84/75/822358475.db2.gz SPBODRCPICZLAA-ACIOBRDBSA-N 1 0 391.515 4.222 20 0 GIADRO COc1ccc([C@H](Cc2ccccc2)[NH2+][C@H]2CCO[C@H](c3nccn3C)C2)cc1 ZINC000453405473 822358500 /nfs/dbraw/zinc/35/85/00/822358500.db2.gz SPBODRCPICZLAA-PMVMPFDFSA-N 1 0 391.515 4.222 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1OCC ZINC000178254454 822358958 /nfs/dbraw/zinc/35/89/58/822358958.db2.gz OSRSYLJHMMSVKS-HOTGVXAUSA-N 1 0 391.533 4.299 20 0 GIADRO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)c3csc4ccccc34)CC2)C[C@H](C)O1 ZINC000178253953 822358974 /nfs/dbraw/zinc/35/89/74/822358974.db2.gz UZQHTEKHXZSRHJ-CALCHBBNSA-N 1 0 386.561 4.253 20 0 GIADRO CCOc1ccc([C@H](CC)[NH2+][C@H]2CCO[C@@H](c3nccn3C)C2)cc1OCC ZINC000453412194 822359030 /nfs/dbraw/zinc/35/90/30/822359030.db2.gz XVXJPGPJEZLRLC-BBTUJRGHSA-N 1 0 387.524 4.179 20 0 GIADRO CC[C@]1(C(C)C)C[C@H]1[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000453411392 822359098 /nfs/dbraw/zinc/35/90/98/822359098.db2.gz ALRZZPOKOCJHPN-DJIMGWMZSA-N 1 0 386.355 4.082 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCO[C@@H](c2nccn2C)C1)C(c1ccccc1)c1ccccc1 ZINC000453411134 822359160 /nfs/dbraw/zinc/35/91/60/822359160.db2.gz XHWROBSOHFMUJX-VLCRHTCISA-N 1 0 375.516 4.450 20 0 GIADRO Brc1ccc2c(c1)[C@@H](NC1CC[NH+](CC3CC3)CC1)CCS2 ZINC000178255895 822359268 /nfs/dbraw/zinc/35/92/68/822359268.db2.gz IEPFHJSYROWHPR-KRWDZBQOSA-N 1 0 381.383 4.450 20 0 GIADRO CC(C)c1c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cnn1-c1ccccc1 ZINC000045042609 822359373 /nfs/dbraw/zinc/35/93/73/822359373.db2.gz GFSMMRLTRYDVOG-HXUWFJFHSA-N 1 0 388.515 4.000 20 0 GIADRO O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@H]([NH2+]CCC2CC(F)(F)C2)C1 ZINC000453413713 822359523 /nfs/dbraw/zinc/35/95/23/822359523.db2.gz JAYIJQYIESZXCD-JKSUJKDBSA-N 1 0 376.447 4.009 20 0 GIADRO Cc1cc(C(=O)N2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c(C)n1C(C)C ZINC000178257550 822359847 /nfs/dbraw/zinc/35/98/47/822359847.db2.gz WPHUJTVNIUIERQ-OALUTQOASA-N 1 0 389.584 4.037 20 0 GIADRO Cc1c2ccccc2oc1C(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000178259110 822359972 /nfs/dbraw/zinc/35/99/72/822359972.db2.gz IZNDAGKHMUGULX-IRXDYDNUSA-N 1 0 384.520 4.093 20 0 GIADRO Cc1c2ccccc2oc1C(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000178259083 822360051 /nfs/dbraw/zinc/36/00/51/822360051.db2.gz IZNDAGKHMUGULX-CALCHBBNSA-N 1 0 384.520 4.093 20 0 GIADRO Clc1ccc2c(c1)nccc2SCC[NH+]1CCC(C2OCCO2)CC1 ZINC000182738455 822360092 /nfs/dbraw/zinc/36/00/92/822360092.db2.gz NYAQHPPKDBHQKX-UHFFFAOYSA-N 1 0 378.925 4.065 20 0 GIADRO O=C(NC1CC[NH+](C2CC2)CC1)c1cc2ccccc2n1Cc1ccccc1F ZINC000045059466 822360431 /nfs/dbraw/zinc/36/04/31/822360431.db2.gz BNZNFSPMCZLWLB-UHFFFAOYSA-N 1 0 391.490 4.185 20 0 GIADRO Cc1ccc(C[C@@H](CO)[NH2+][C@@H](C)c2ccc(NC(=O)NC(C)C)cc2)cc1C ZINC000453425309 822361226 /nfs/dbraw/zinc/36/12/26/822361226.db2.gz GQGMRNGPJCPBHM-AVRDEDQJSA-N 1 0 383.536 4.088 20 0 GIADRO CC(C)c1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(Cn3cncn3)cc1)CCCO2 ZINC000178272619 822361754 /nfs/dbraw/zinc/36/17/54/822361754.db2.gz MLOQEKXKURTGIG-QFIPXVFZSA-N 1 0 376.504 4.453 20 0 GIADRO O=C(Cc1csc(-c2ccccc2Cl)n1)N1CC[NH+](C2CCCC2)CC1 ZINC000045084621 822361802 /nfs/dbraw/zinc/36/18/02/822361802.db2.gz ZLGDHDJIEIHKCK-UHFFFAOYSA-N 1 0 389.952 4.093 20 0 GIADRO CS(=O)(=O)c1cccc([C@@H]([NH2+]CCC2CC(F)(F)C2)c2ccc(F)cc2)c1 ZINC000453431910 822362034 /nfs/dbraw/zinc/36/20/34/822362034.db2.gz RVDIOWYRHKDGMJ-IBGZPJMESA-N 1 0 397.462 4.344 20 0 GIADRO O=C([C@H](Cc1ccccc1)[NH2+][C@@H]1CCSc2c(F)cccc21)N1CCCC1 ZINC000178277262 822362259 /nfs/dbraw/zinc/36/22/59/822362259.db2.gz OGALISIVPOVAPU-UXHICEINSA-N 1 0 384.520 4.186 20 0 GIADRO CCOc1ccc([C@@H](C)NC(=O)C[NH2+][C@@H](C)c2cc(C)sc2C)cc1OC ZINC000182755700 822362741 /nfs/dbraw/zinc/36/27/41/822362741.db2.gz ZDYJVNZJCKPNIR-CABCVRRESA-N 1 0 390.549 4.300 20 0 GIADRO O=C(c1ccccc1Cl)N1CCC([NH2+]Cc2ccc(OC(F)F)cc2)CC1 ZINC000178281141 822362748 /nfs/dbraw/zinc/36/27/48/822362748.db2.gz WEQRVKXEURTZNC-UHFFFAOYSA-N 1 0 394.849 4.336 20 0 GIADRO CC[NH2+]CC1CCN(C(=O)c2sc(-c3ccc(Cl)cc3)nc2C)CC1 ZINC000178283199 822363194 /nfs/dbraw/zinc/36/31/94/822363194.db2.gz UQJDRTHDZYXIFH-UHFFFAOYSA-N 1 0 377.941 4.234 20 0 GIADRO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]Cc1cccc(CS(C)(=O)=O)c1 ZINC000178287084 822363597 /nfs/dbraw/zinc/36/35/97/822363597.db2.gz BRCYBRNTAYBJJF-CABCVRRESA-N 1 0 388.558 4.123 20 0 GIADRO CC[C@@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1ccc(OC(F)F)cc1 ZINC000178301296 822365010 /nfs/dbraw/zinc/36/50/10/822365010.db2.gz WWLFQEUVDRZRBN-GOSISDBHSA-N 1 0 383.460 4.074 20 0 GIADRO O=C(Nc1ccc(OCc2ccccn2)c(F)c1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178316525 822366713 /nfs/dbraw/zinc/36/67/13/822366713.db2.gz UMNQDADMEIFQOD-QGZVFWFLSA-N 1 0 397.494 4.393 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1OC(F)F)c1ccc(-n2cncn2)cc1 ZINC000178326376 822367270 /nfs/dbraw/zinc/36/72/70/822367270.db2.gz UEWAQVLHHZINAJ-OLZOCXBDSA-N 1 0 376.382 4.420 20 0 GIADRO Cc1nc([C@@H](C)N2CC[NH+](C[C@H]3CCOC3)CC2)oc1-c1ccc(Cl)cc1 ZINC000178333900 822368292 /nfs/dbraw/zinc/36/82/92/822368292.db2.gz AIFCVOUFXIIARF-IAGOWNOFSA-N 1 0 389.927 4.019 20 0 GIADRO Cc1cc([C@@H]2CCCN2C(=O)NCc2ccccc2C[NH+]2CCCCC2)on1 ZINC000045193090 822369548 /nfs/dbraw/zinc/36/95/48/822369548.db2.gz BFVSMCKYWGRQMP-FQEVSTJZSA-N 1 0 382.508 4.016 20 0 GIADRO CCn1c(-c2ccccc2C)nnc1N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000453465418 822370091 /nfs/dbraw/zinc/37/00/91/822370091.db2.gz KHPZTBWWDSTXRE-UHFFFAOYSA-N 1 0 395.473 4.126 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cc2ccccc2o1 ZINC000178351720 822370536 /nfs/dbraw/zinc/37/05/36/822370536.db2.gz KZABAKNMROTTGY-QGZVFWFLSA-N 1 0 398.528 4.458 20 0 GIADRO C[C@H]([NH2+]C1CCN(C(=O)N(C)C)CC1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000182805460 822370555 /nfs/dbraw/zinc/37/05/55/822370555.db2.gz WKAFXFXNBBFXMG-KRWDZBQOSA-N 1 0 399.510 4.201 20 0 GIADRO O=C(c1c2ccccc2nc2c1CCC/C2=C/c1ccco1)N1CCC[NH2+]CC1 ZINC000178356836 822370851 /nfs/dbraw/zinc/37/08/51/822370851.db2.gz DAFLVHKMBGKACL-MSUUIHNZSA-N 1 0 387.483 4.140 20 0 GIADRO CCN(C(=O)Cc1ccc(N[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1)c1ccccc1 ZINC000182807116 822370979 /nfs/dbraw/zinc/37/09/79/822370979.db2.gz RQXOXOPKJWKYDX-SFYKDHMMSA-N 1 0 379.548 4.423 20 0 GIADRO C[C@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1ccc(F)c(Br)c1 ZINC000178365399 822371680 /nfs/dbraw/zinc/37/16/80/822371680.db2.gz PNNSPXPJTZLVSJ-JTQLQIEISA-N 1 0 383.227 4.266 20 0 GIADRO C[C@@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1cc(Br)ccc1F ZINC000178367638 822371925 /nfs/dbraw/zinc/37/19/25/822371925.db2.gz XPGDMUXEAFYBCQ-SNVBAGLBSA-N 1 0 383.227 4.266 20 0 GIADRO Cc1nc(-c2ccc(CNC(=O)NCCCC[NH+]3CCC(C)CC3)o2)cs1 ZINC000045275121 822375556 /nfs/dbraw/zinc/37/55/56/822375556.db2.gz LZROHGQUYXDJPK-UHFFFAOYSA-N 1 0 390.553 4.023 20 0 GIADRO CC[C@@H]([NH2+][C@H](C)c1cccc(N2CCCS2(=O)=O)c1)c1cc(F)ccc1F ZINC000178405975 822376020 /nfs/dbraw/zinc/37/60/20/822376020.db2.gz QJPAZDOBTWXIQX-JLTOFOAXSA-N 1 0 394.487 4.307 20 0 GIADRO CC[C@H]([NH2+][C@H](C)c1cccc(N2CCCS2(=O)=O)c1)c1cc(F)ccc1F ZINC000178405967 822376101 /nfs/dbraw/zinc/37/61/01/822376101.db2.gz QJPAZDOBTWXIQX-VLIAUNLRSA-N 1 0 394.487 4.307 20 0 GIADRO COc1ccc(C[NH2+][C@H]2CCCOc3c(Br)cccc32)cc1O ZINC000178409177 822376440 /nfs/dbraw/zinc/37/64/40/822376440.db2.gz ZXWKNBOFWSYEGT-HNNXBMFYSA-N 1 0 378.266 4.167 20 0 GIADRO C[C@H](NC(=O)N1CCC(OCc2ccccc2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182845431 822377337 /nfs/dbraw/zinc/37/73/37/822377337.db2.gz XBPPOQKUUVNTAI-PZJWPPBQSA-N 1 0 399.579 4.030 20 0 GIADRO COc1cc(C[N@@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)ccc1SC ZINC000182845214 822377374 /nfs/dbraw/zinc/37/73/74/822377374.db2.gz QBBDDSAWVUXFIU-AWEZNQCLSA-N 1 0 385.455 4.470 20 0 GIADRO C[C@@H](NC(=O)Nc1cccc(OCC(F)(F)F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182845859 822377674 /nfs/dbraw/zinc/37/76/74/822377674.db2.gz NDCMLEACQFOBMJ-CABCVRRESA-N 1 0 399.457 4.402 20 0 GIADRO COc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc4c(C)c(C)[nH]c43)CC2)cc1 ZINC000045308152 822378031 /nfs/dbraw/zinc/37/80/31/822378031.db2.gz XEQVTYMIVDLADB-UHFFFAOYSA-N 1 0 391.515 4.141 20 0 GIADRO C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@H]1CCCOC1 ZINC000178428915 822378161 /nfs/dbraw/zinc/37/81/61/822378161.db2.gz PJIRWOVEYXTOSS-NWDGAFQWSA-N 1 0 378.822 4.092 20 0 GIADRO O=C(Nc1cccc(OC2CCCC2)c1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000178436692 822378842 /nfs/dbraw/zinc/37/88/42/822378842.db2.gz BEUCQKMCGBBXFK-HTAPYJJXSA-N 1 0 383.536 4.489 20 0 GIADRO Cc1nc(C)c([C@@H](C)[NH2+][C@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)s1 ZINC000178437161 822379174 /nfs/dbraw/zinc/37/91/74/822379174.db2.gz QLLQILZGMDKNMK-HUUCEWRRSA-N 1 0 386.565 4.428 20 0 GIADRO C[C@H](NC(=O)Nc1ccc(OCC(F)(F)F)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182855744 822379816 /nfs/dbraw/zinc/37/98/16/822379816.db2.gz ABVDFDVPUMTMDV-GJZGRUSLSA-N 1 0 399.457 4.402 20 0 GIADRO Cc1cc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2Cc2cccs2)c(C)o1 ZINC000453507026 822380155 /nfs/dbraw/zinc/38/01/55/822380155.db2.gz VLZDNAWUAPXXOU-UHFFFAOYSA-N 1 0 399.564 4.185 20 0 GIADRO C[C@H]([NH2+]CCNC(=O)c1ccccc1F)c1ccc(SCC(F)F)cc1 ZINC000178452107 822380247 /nfs/dbraw/zinc/38/02/47/822380247.db2.gz DNHFXFSEIJFWKE-ZDUSSCGKSA-N 1 0 382.451 4.264 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000178454924 822380610 /nfs/dbraw/zinc/38/06/10/822380610.db2.gz PVOCHEKXYUCGKK-LIRRHRJNSA-N 1 0 377.513 4.183 20 0 GIADRO C[C@H](NC(=O)c1ccccc1C(=O)c1cccs1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182860042 822380740 /nfs/dbraw/zinc/38/07/40/822380740.db2.gz KSEFJJJPBVZGLJ-DLBZAZTESA-N 1 0 396.556 4.362 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCCCC1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000182861507 822381258 /nfs/dbraw/zinc/38/12/58/822381258.db2.gz BUWACWAVWSZNNE-QFIPXVFZSA-N 1 0 395.551 4.223 20 0 GIADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)C1 ZINC000178462421 822381447 /nfs/dbraw/zinc/38/14/47/822381447.db2.gz HPYRPAANTIURKG-INIZCTEOSA-N 1 0 397.523 4.104 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1c(F)cc(Cl)cc1F ZINC000182863941 822381544 /nfs/dbraw/zinc/38/15/44/822381544.db2.gz XXCGLOFFUXKONU-SJCJKPOMSA-N 1 0 394.853 4.045 20 0 GIADRO OCc1ccc(C[N@@H+]2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1 ZINC000182867485 822382450 /nfs/dbraw/zinc/38/24/50/822382450.db2.gz LZXMXFKAYKCZLV-SFHVURJKSA-N 1 0 383.879 4.262 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(C)cc2F)cnn1-c1ccc(F)cc1 ZINC000182868356 822382675 /nfs/dbraw/zinc/38/26/75/822382675.db2.gz BVHHZQQRCKUWDA-GJZGRUSLSA-N 1 0 398.457 4.445 20 0 GIADRO COc1cc([C@H](C)[NH2+]Cc2ccc(NC(=O)C(C)C)cc2)cc(OC)c1OC ZINC000178479253 822383375 /nfs/dbraw/zinc/38/33/75/822383375.db2.gz SBXGUMZISDXKGR-HNNXBMFYSA-N 1 0 386.492 4.158 20 0 GIADRO CC[C@@H]([NH2+][C@H](C)c1ccc(OC)c(NC(C)=O)c1)c1ccc2c(c1)OCCO2 ZINC000178480223 822383614 /nfs/dbraw/zinc/38/36/14/822383614.db2.gz ZRSJRYMBTWHRLD-RDTXWAMCSA-N 1 0 384.476 4.227 20 0 GIADRO CC[C@H]([NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1)c1ccc2c(c1)OCCO2 ZINC000178480632 822383638 /nfs/dbraw/zinc/38/36/38/822383638.db2.gz HLOIGZRLPYEJIC-UZLBHIALSA-N 1 0 380.488 4.387 20 0 GIADRO CC(C)C(=O)Nc1ccc(C[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)cc1 ZINC000178480905 822383696 /nfs/dbraw/zinc/38/36/96/822383696.db2.gz LLSQYELWEGOAIY-UHFFFAOYSA-N 1 0 391.515 4.203 20 0 GIADRO C[C@@H](NC(=O)N1CCSC2(CCCCC2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182874230 822383648 /nfs/dbraw/zinc/38/36/48/822383648.db2.gz YQSSZLDMBKCWPN-MSOLQXFVSA-N 1 0 379.614 4.101 20 0 GIADRO CC(=O)Nc1ccc(C[NH2+][C@H]2CCCOc3cc(Br)ccc32)cc1 ZINC000178486833 822384459 /nfs/dbraw/zinc/38/44/59/822384459.db2.gz BGYOJELKDFRBIW-SFHVURJKSA-N 1 0 389.293 4.411 20 0 GIADRO CCCCCNC(=O)C1CC[NH+](Cc2sc(C)cc2Br)CC1 ZINC000453562478 822384950 /nfs/dbraw/zinc/38/49/50/822384950.db2.gz LDOZWQZUVWYCSN-UHFFFAOYSA-N 1 0 387.387 4.337 20 0 GIADRO C[C@H](CN1CCCC1=O)[NH2+][C@@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21 ZINC000178496321 822385295 /nfs/dbraw/zinc/38/52/95/822385295.db2.gz MAHOBULQGSXGHJ-CZUORRHYSA-N 1 0 389.952 4.441 20 0 GIADRO COCCOc1c(Cl)cccc1NCc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000453566732 822385402 /nfs/dbraw/zinc/38/54/02/822385402.db2.gz FJFQAKQRELXLRH-UHFFFAOYSA-N 1 0 395.956 4.200 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(Cn2cccn2)cc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000178501952 822385700 /nfs/dbraw/zinc/38/57/00/822385700.db2.gz BDZKAPBVWBKQMQ-QGZVFWFLSA-N 1 0 389.503 4.066 20 0 GIADRO CCOc1c(OC)cc(C[NH+]2CCC3(CC2)OCCc2ccccc23)cc1OC ZINC000453572837 822386165 /nfs/dbraw/zinc/38/61/65/822386165.db2.gz IBYVXEOJHQXNKK-UHFFFAOYSA-N 1 0 397.515 4.167 20 0 GIADRO COc1ccccc1-c1ncc(C[NH2+][C@H](c2cccs2)C(C)(C)CO)cn1 ZINC000453573715 822386327 /nfs/dbraw/zinc/38/63/27/822386327.db2.gz HGNIYBVDTCDGSY-LJQANCHMSA-N 1 0 383.517 4.063 20 0 GIADRO COc1ccc(OC(F)F)c(C[NH+]2CCC3(CC2)OCCc2ccccc23)c1 ZINC000453574882 822386710 /nfs/dbraw/zinc/38/67/10/822386710.db2.gz MOZHBRSNKFGWIW-UHFFFAOYSA-N 1 0 389.442 4.361 20 0 GIADRO CC(C)c1noc(CCC[NH2+][C@H](C)CC(=O)Nc2ccccc2C(F)(F)F)n1 ZINC000178513856 822386742 /nfs/dbraw/zinc/38/67/42/822386742.db2.gz YDQFRJBZWBQSBD-CYBMUJFWSA-N 1 0 398.429 4.151 20 0 GIADRO O=C(Nc1ccc(Br)c(Cl)c1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000178515252 822386995 /nfs/dbraw/zinc/38/69/95/822386995.db2.gz FGTOCKHNMRWIDH-ZDUSSCGKSA-N 1 0 386.721 4.195 20 0 GIADRO Cc1ccc(CNC(=O)C2CC[NH+](Cc3cc4ccccc4o3)CC2)cc1F ZINC000178516585 822387007 /nfs/dbraw/zinc/38/70/07/822387007.db2.gz GZDHPIWFYMXUIB-UHFFFAOYSA-N 1 0 380.463 4.409 20 0 GIADRO CCOc1c(C[NH+]2CCC3(CC2)OCCc2ccccc23)c(C)nn1CC(C)C ZINC000453577046 822387156 /nfs/dbraw/zinc/38/71/56/822387156.db2.gz RBAMAUKFTDZDKS-UHFFFAOYSA-N 1 0 397.563 4.310 20 0 GIADRO CCOc1cc(C[NH2+]C[C@@H]2CCOC(C)(C)C2)cc(Br)c1OC ZINC000453581190 822387902 /nfs/dbraw/zinc/38/79/02/822387902.db2.gz LZQWYQYVSZOFGD-CYBMUJFWSA-N 1 0 386.330 4.151 20 0 GIADRO [NH3+]C[C@@H]1CCN(C(=O)c2oc3ccccc3c2CSc2ccc(F)cc2)C1 ZINC000178530170 822388491 /nfs/dbraw/zinc/38/84/91/822388491.db2.gz KXWQLHJLVZRGKT-AWEZNQCLSA-N 1 0 384.476 4.285 20 0 GIADRO Cc1ccc(C(=O)C2CCN(C(=O)NC3CC[NH+](CC(C)C)CC3)CC2)c(C)c1 ZINC000045463259 822388783 /nfs/dbraw/zinc/38/87/83/822388783.db2.gz JSHATPWHSLOXQX-UHFFFAOYSA-N 1 0 399.579 4.028 20 0 GIADRO CC1(C)C[C@H](C[NH2+]Cc2cccc(Br)c2OC(F)F)CCO1 ZINC000453587050 822389077 /nfs/dbraw/zinc/38/90/77/822389077.db2.gz WHEHQTBSQYDEHQ-LLVKDONJSA-N 1 0 378.257 4.345 20 0 GIADRO Cc1ccc([C@H](N[C@@H]2CCCS(=O)(=O)C2)c2ccc(F)cc2Cl)cc1 ZINC000182905768 822389874 /nfs/dbraw/zinc/38/98/74/822389874.db2.gz AMRIFGKQKJBEOI-APWZRJJASA-N 1 0 381.900 4.044 20 0 GIADRO C[C@@H](O)c1ccc(C[NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)cc1 ZINC000178543520 822390147 /nfs/dbraw/zinc/39/01/47/822390147.db2.gz RNRPMNKWCYFBGZ-ZIAGYGMSSA-N 1 0 391.309 4.009 20 0 GIADRO FC1(F)CC(CC[NH2+]Cc2ncc(Br)cc2Br)C1 ZINC000453592240 822390220 /nfs/dbraw/zinc/39/02/20/822390220.db2.gz SSFFAJHXUUBVRO-UHFFFAOYSA-N 1 0 384.062 4.132 20 0 GIADRO Cc1cc(Br)c(CNCc2ccccc2OCC[NH+](C)C)s1 ZINC000453596759 822390553 /nfs/dbraw/zinc/39/05/53/822390553.db2.gz XXDKCOJPJUNCKM-UHFFFAOYSA-N 1 0 383.355 4.049 20 0 GIADRO OCC1([C@H]([NH2+]Cc2ccc(Br)cn2)c2ccccc2)CCCC1 ZINC000453597148 822390881 /nfs/dbraw/zinc/39/08/81/822390881.db2.gz BXRLWDYCWCWSSS-GOSISDBHSA-N 1 0 375.310 4.228 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)c2cccc(Br)c2Cl)cc1 ZINC000182910710 822391120 /nfs/dbraw/zinc/39/11/20/822391120.db2.gz BDFQWCXHXFSHAC-UHFFFAOYSA-N 1 0 381.701 4.094 20 0 GIADRO C[C@@H](NC(=O)N(C)Cc1ccccc1N1CCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182910883 822391197 /nfs/dbraw/zinc/39/11/97/822391197.db2.gz UATHESBAWBUUCB-WOJBJXKFSA-N 1 0 398.595 4.081 20 0 GIADRO COc1ccc(CC[NH2+][C@H](C)c2cccc(OC(F)F)c2)c(OC)c1OC ZINC000178556006 822391581 /nfs/dbraw/zinc/39/15/81/822391581.db2.gz ZBIATQBXWUZNHQ-CYBMUJFWSA-N 1 0 381.419 4.207 20 0 GIADRO C/C(=C\c1ccccc1OC(F)F)C[NH2+][C@@H](C)C(=O)Nc1cccnc1C ZINC000453604931 822391805 /nfs/dbraw/zinc/39/18/05/822391805.db2.gz CIIKRHFXBUOTCV-FQNOHDAGSA-N 1 0 375.419 4.012 20 0 GIADRO CC(C)C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)c1cccs1 ZINC000453605446 822391992 /nfs/dbraw/zinc/39/19/92/822391992.db2.gz OUCMHDWYBQJRQI-RBUKOAKNSA-N 1 0 399.560 4.139 20 0 GIADRO COc1ccc(C[N@@H+](Cc2cnn(C)c2)CC(C)C)c(OCc2cccnc2)c1 ZINC000453606672 822392164 /nfs/dbraw/zinc/39/21/64/822392164.db2.gz DUNYBULXJURQAX-UHFFFAOYSA-N 1 0 394.519 4.061 20 0 GIADRO C[C@H](NC(=O)Nc1ccccc1OCC(F)(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182918855 822392455 /nfs/dbraw/zinc/39/24/55/822392455.db2.gz IGGUFHIPZOWPQM-LSDHHAIUSA-N 1 0 399.457 4.402 20 0 GIADRO O=C(Nc1cccc(C[NH2+][C@@H]2CCC[C@H]2O)c1)c1ccc(Cl)cc1Cl ZINC000453610805 822392593 /nfs/dbraw/zinc/39/25/93/822392593.db2.gz GJOBDDAWLUMVMU-QZTJIDSGSA-N 1 0 379.287 4.249 20 0 GIADRO CCC(CC)c1nnc(NC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)s1 ZINC000182919181 822392819 /nfs/dbraw/zinc/39/28/19/822392819.db2.gz MGLJCGVCXYLIRK-HIFRSBDPSA-N 1 0 379.574 4.216 20 0 GIADRO C[C@H](NC(=O)N(C)CCOc1cccc(Cl)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182923083 822393450 /nfs/dbraw/zinc/39/34/50/822393450.db2.gz MOVXYUHVOXGNJS-IRXDYDNUSA-N 1 0 393.959 4.013 20 0 GIADRO COC(=O)[C@@H](C)Oc1ccc(C[NH2+][C@H](c2ccccc2)C2(CO)CCCC2)cc1 ZINC000453616339 822393521 /nfs/dbraw/zinc/39/35/21/822393521.db2.gz NQXLYTZWIJJBDP-XMSQKQJNSA-N 1 0 397.515 4.011 20 0 GIADRO COC(=O)[C@H](C)Oc1ccc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCCC2)cc1 ZINC000453616332 822393589 /nfs/dbraw/zinc/39/35/89/822393589.db2.gz NQXLYTZWIJJBDP-AVRDEDQJSA-N 1 0 397.515 4.011 20 0 GIADRO [NH3+]C[C@@H]1CCN(C(=O)c2oc3ccccc3c2CSc2ccccc2F)C1 ZINC000178580123 822393823 /nfs/dbraw/zinc/39/38/23/822393823.db2.gz AQXFHYXQONZAJH-AWEZNQCLSA-N 1 0 384.476 4.285 20 0 GIADRO CC(C)n1ncc2cc(C[NH2+][C@H](c3ccccc3)C3(CO)CCCC3)cnc21 ZINC000453618137 822394051 /nfs/dbraw/zinc/39/40/51/822394051.db2.gz QBPITHDRRNRZIE-OAQYLSRUSA-N 1 0 378.520 4.396 20 0 GIADRO CON1CCC([N@H+](C)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000453621554 822394543 /nfs/dbraw/zinc/39/45/43/822394543.db2.gz NMUNFGCDNLDLDD-UHFFFAOYSA-N 1 0 385.455 4.287 20 0 GIADRO C[C@@H](NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000045541207 822394597 /nfs/dbraw/zinc/39/45/97/822394597.db2.gz SHUALGOUSFKFDW-WBMJQRKESA-N 1 0 385.455 4.430 20 0 GIADRO C[C@H](NC(=O)N(Cc1ccccc1)CC(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182934649 822395620 /nfs/dbraw/zinc/39/56/20/822395620.db2.gz CDHDWKDSCBLHOK-FUHWJXTLSA-N 1 0 379.495 4.116 20 0 GIADRO O[C@H](C[NH2+][C@@H]1CCSc2c(F)cccc21)c1cc(Cl)c2c(c1)OCCO2 ZINC000178604422 822395791 /nfs/dbraw/zinc/39/57/91/822395791.db2.gz VVVFAQASZNEHFS-HZPDHXFCSA-N 1 0 395.883 4.110 20 0 GIADRO CN(Cc1ccncc1)C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000045567873 822395899 /nfs/dbraw/zinc/39/58/99/822395899.db2.gz FMZIQLUNRCCUBT-UHFFFAOYSA-N 1 0 388.515 4.152 20 0 GIADRO C[C@H](NC(=O)N(C)CCOc1ccc(Cl)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182938283 822396203 /nfs/dbraw/zinc/39/62/03/822396203.db2.gz HKLDGROOPKVYLV-DLBZAZTESA-N 1 0 393.959 4.013 20 0 GIADRO O=C(Nc1cccc(C[NH2+][C@H]2CCSc3c(F)cccc32)c1)[C@H]1CCCO1 ZINC000178615010 822396293 /nfs/dbraw/zinc/39/62/93/822396293.db2.gz XCAWUBYLURIGJS-RBUKOAKNSA-N 1 0 386.492 4.270 20 0 GIADRO CCSc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(S(=O)(=O)NC)c2)cc1 ZINC000178621658 822396916 /nfs/dbraw/zinc/39/69/16/822396916.db2.gz GGZBSBBXCSSKNT-CABCVRRESA-N 1 0 378.563 4.119 20 0 GIADRO CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+][C@H](C)c2ccc3ccccc3n2)cc1 ZINC000178620229 822397028 /nfs/dbraw/zinc/39/70/28/822397028.db2.gz MVFSEOWKZKTTNP-QGZVFWFLSA-N 1 0 397.544 4.115 20 0 GIADRO CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@@H]2CC(C)(C)c3ccccc32)cc1 ZINC000178629263 822397627 /nfs/dbraw/zinc/39/76/27/822397627.db2.gz DVENRGFFZHFLLH-OAQYLSRUSA-N 1 0 386.561 4.027 20 0 GIADRO Cc1c([C@@H](C)[NH2+]C[C@H](CCO)c2ccccc2)nnn1-c1cccc(Cl)c1 ZINC000178644056 822399140 /nfs/dbraw/zinc/39/91/40/822399140.db2.gz KTGDEQUYEHNQJN-QAPCUYQASA-N 1 0 384.911 4.046 20 0 GIADRO OCC[C@H](C[NH2+][C@@H]1CCCOc2ccc(Br)cc21)c1ccccc1 ZINC000178644636 822399178 /nfs/dbraw/zinc/39/91/78/822399178.db2.gz RVTZZFLTSBDMQW-VQIMIIECSA-N 1 0 390.321 4.419 20 0 GIADRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@@H]1CC(c2c(F)cccc2F)=NO1 ZINC000178655818 822400077 /nfs/dbraw/zinc/40/00/77/822400077.db2.gz DGWMYTYTKYBFOS-FQEVSTJZSA-N 1 0 399.441 4.001 20 0 GIADRO C/C(=C\C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccccc1Cl ZINC000178668194 822401049 /nfs/dbraw/zinc/40/10/49/822401049.db2.gz PDRLNRMCKFEAIX-IWLLYFRBSA-N 1 0 383.923 4.480 20 0 GIADRO CC(C)OCCOCc1cccc(N[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000182971227 822401948 /nfs/dbraw/zinc/40/19/48/822401948.db2.gz JVDOLIHONSQRCN-RDPSFJRHSA-N 1 0 397.563 4.346 20 0 GIADRO Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)Cc1cccc2cnccc21 ZINC000182972058 822402262 /nfs/dbraw/zinc/40/22/62/822402262.db2.gz NCIUWZMSXCTWEX-UHFFFAOYSA-N 1 0 398.304 4.376 20 0 GIADRO COc1ccc([C@@H](NC(=O)NC[C@H](c2ccsc2)[NH+](C)C)C(C)C)cc1 ZINC000045659380 822403411 /nfs/dbraw/zinc/40/34/11/822403411.db2.gz QRWCRDVZXYDPGW-MOPGFXCFSA-N 1 0 375.538 4.056 20 0 GIADRO C[C@@H]([NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1)c1cncc(F)c1 ZINC000178712654 822404879 /nfs/dbraw/zinc/40/48/79/822404879.db2.gz FMUCFYMVDCFVCO-ZIAGYGMSSA-N 1 0 378.289 4.160 20 0 GIADRO C[C@H]([NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1)c1cncc(F)c1 ZINC000178712622 822404914 /nfs/dbraw/zinc/40/49/14/822404914.db2.gz FMUCFYMVDCFVCO-KBPBESRZSA-N 1 0 378.289 4.160 20 0 GIADRO O=C(CC[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)Nc1ccccc1Cl ZINC000045681325 822405230 /nfs/dbraw/zinc/40/52/30/822405230.db2.gz ZOQYNFGFVLGHSY-GOSISDBHSA-N 1 0 386.879 4.277 20 0 GIADRO Cc1cc(C(=O)C[N@@H+](C(C)C)C2CCOCC2)c(C)n1CCc1cccs1 ZINC000178716961 822405187 /nfs/dbraw/zinc/40/51/87/822405187.db2.gz CLQYXRKAKPCWET-UHFFFAOYSA-N 1 0 388.577 4.481 20 0 GIADRO CC(C)(C)OC(=O)Nc1ccccc1C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000178725662 822405597 /nfs/dbraw/zinc/40/55/97/822405597.db2.gz CIAJUIZLMUFLEH-UHFFFAOYSA-N 1 0 387.524 4.124 20 0 GIADRO Cc1cccc(NC(=O)CN2CC[NH+]([C@@H](C)CCc3cccc(F)c3)CC2)c1C ZINC000182987970 822406017 /nfs/dbraw/zinc/40/60/17/822406017.db2.gz YAPMBFVBJHBNED-IBGZPJMESA-N 1 0 397.538 4.020 20 0 GIADRO CSc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000045696879 822406018 /nfs/dbraw/zinc/40/60/18/822406018.db2.gz MFIGNQWUHFQBBL-KRWDZBQOSA-N 1 0 397.544 4.088 20 0 GIADRO O=C(N[C@@H](C[C@@H]1CCOC1)c1ccccc1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000178747315 822406918 /nfs/dbraw/zinc/40/69/18/822406918.db2.gz KKFXYITWLNUABY-REWPJTCUSA-N 1 0 399.579 4.108 20 0 GIADRO Cc1nc(C(=O)OC[C@H]2CCC[N@H+](Cc3cc(F)ccc3F)C2)c(C)s1 ZINC000178747824 822407104 /nfs/dbraw/zinc/40/71/04/822407104.db2.gz ZOSQLUKAZGYKGC-AWEZNQCLSA-N 1 0 380.460 4.107 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)Nc2ccc(C)c(NC(C)=O)c2)CC1 ZINC000182993543 822407347 /nfs/dbraw/zinc/40/73/47/822407347.db2.gz GADFLKHPYIRJOI-UHFFFAOYSA-N 1 0 388.556 4.319 20 0 GIADRO COc1cc(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)ccc1OC1CCCC1 ZINC000045718034 822407699 /nfs/dbraw/zinc/40/76/99/822407699.db2.gz GNAWLVGBQCKNJN-SFHVURJKSA-N 1 0 388.533 4.111 20 0 GIADRO CCC[C@@H](NC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccccc1 ZINC000178765434 822408017 /nfs/dbraw/zinc/40/80/17/822408017.db2.gz JOZMEKKISONCBU-PGRDOPGGSA-N 1 0 380.536 4.448 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@H](C)c2cccc(C3CC3)c2)cc1 ZINC000453771952 822408759 /nfs/dbraw/zinc/40/87/59/822408759.db2.gz BGXAJNZDQUYVNW-QGZVFWFLSA-N 1 0 393.531 4.222 20 0 GIADRO Cc1c([C@H](C)[NH2+]CC(=O)Nc2cc(C)ccc2C)cnn1-c1ccc(F)cc1 ZINC000183001740 822409001 /nfs/dbraw/zinc/40/90/01/822409001.db2.gz GOCRPGATLAGWNI-INIZCTEOSA-N 1 0 380.467 4.226 20 0 GIADRO C[NH+](C)CCOc1ccc(CNC(=O)CC2CCC(C(F)(F)F)CC2)cc1 ZINC000183002294 822409171 /nfs/dbraw/zinc/40/91/71/822409171.db2.gz WKGBQBRNWBZOGM-UHFFFAOYSA-N 1 0 386.458 4.002 20 0 GIADRO C[NH+](C)[C@@H](CNc1nc(-c2ccncc2)nc2ccccc21)c1ccsc1 ZINC000045733274 822409276 /nfs/dbraw/zinc/40/92/76/822409276.db2.gz NBEKVECICLBZCL-IBGZPJMESA-N 1 0 375.501 4.468 20 0 GIADRO O=C(NNc1cc[nH+]cc1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000183006350 822410019 /nfs/dbraw/zinc/41/00/19/822410019.db2.gz NLXCXYUIIYTSKC-UHFFFAOYSA-N 1 0 384.779 4.192 20 0 GIADRO COc1cccc2cc([C@H](C)Nc3cccc(C[N@@H+]4CCC[C@@H]4C(N)=O)c3)oc21 ZINC000183007461 822410316 /nfs/dbraw/zinc/41/03/16/822410316.db2.gz WKKHVLVEWACXEZ-HNAYVOBHSA-N 1 0 393.487 4.064 20 0 GIADRO O=C(Nc1ccccc1SC(F)F)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000045756772 822410828 /nfs/dbraw/zinc/41/08/28/822410828.db2.gz VKSOXARRBXZMKR-UHFFFAOYSA-N 1 0 392.475 4.182 20 0 GIADRO C[C@H](Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1)c1ccc(C(F)(F)F)cc1 ZINC000183013152 822411328 /nfs/dbraw/zinc/41/13/28/822411328.db2.gz IPRQXADYOITIOB-IFXJQAMLSA-N 1 0 391.437 4.328 20 0 GIADRO Cc1nccn1C[C@H](C)C[NH2+][C@H](C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000178802136 822411766 /nfs/dbraw/zinc/41/17/66/822411766.db2.gz BJBVTBCELWMSMQ-HLIPFELVSA-N 1 0 389.515 4.265 20 0 GIADRO COc1ccc2cc(CNC(=O)N3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)ccc2c1 ZINC000178804242 822411898 /nfs/dbraw/zinc/41/18/98/822411898.db2.gz PRIVEXGWMREHRC-OFNKIYASSA-N 1 0 393.531 4.007 20 0 GIADRO CC(C)C[C@H](Cc1cccc(Br)c1)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000178808329 822412467 /nfs/dbraw/zinc/41/24/67/822412467.db2.gz AWVDQYKIMVYDSI-CRAIPNDOSA-N 1 0 395.385 4.240 20 0 GIADRO Cc1c(NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)cnn1-c1cc(C)ccc1C ZINC000178808116 822412498 /nfs/dbraw/zinc/41/24/98/822412498.db2.gz OGSJGSZOJJAEGC-UHFFFAOYSA-N 1 0 395.551 4.280 20 0 GIADRO CCN(Cc1ccncc1)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000045778589 822412545 /nfs/dbraw/zinc/41/25/45/822412545.db2.gz YYLJGZSSTDWCCS-IBGZPJMESA-N 1 0 380.536 4.188 20 0 GIADRO Cc1cc([C@H]2CCCN2C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)on1 ZINC000045780210 822412820 /nfs/dbraw/zinc/41/28/20/822412820.db2.gz KSTFIRYMYUTZEL-GHTZIAJQSA-N 1 0 396.535 4.404 20 0 GIADRO CCC(C)(C)NC(=O)c1ccc(NC(=O)C[C@H]([NH3+])c2ccccc2)cc1Cl ZINC000178811129 822412800 /nfs/dbraw/zinc/41/28/00/822412800.db2.gz SWRSDUMQYBMJOD-SFHVURJKSA-N 1 0 387.911 4.287 20 0 GIADRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NNc2cc(Cl)ccn2)c1 ZINC000183022096 822412929 /nfs/dbraw/zinc/41/29/29/822412929.db2.gz VCPZNXFFWXUPOJ-UHFFFAOYSA-N 1 0 380.879 4.124 20 0 GIADRO C[C@@H]([NH3+])C1CCN(C(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)CC1 ZINC000178817934 822413362 /nfs/dbraw/zinc/41/33/62/822413362.db2.gz YLCHNFRPPKGFJJ-OAHLLOKOSA-N 1 0 393.462 4.347 20 0 GIADRO Cc1cc([C@@H]2CCCN2C(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)on1 ZINC000045788592 822413710 /nfs/dbraw/zinc/41/37/10/822413710.db2.gz SMRXNHIPVNTFII-UWJYYQICSA-N 1 0 396.535 4.262 20 0 GIADRO Cc1cc([C@@H]2CCCN2C(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)on1 ZINC000045788118 822413763 /nfs/dbraw/zinc/41/37/63/822413763.db2.gz GNPUXTUVCNPJQP-UWJYYQICSA-N 1 0 396.535 4.262 20 0 GIADRO C[C@H]([NH3+])C1CCN(C(=O)[C@H](Oc2ccc(F)cc2Cl)c2ccccc2)CC1 ZINC000178825169 822414082 /nfs/dbraw/zinc/41/40/82/822414082.db2.gz XGYKGRSBVSLAPH-VBKZILBWSA-N 1 0 390.886 4.185 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1)C(=O)NCCC1=CCCCC1 ZINC000045812642 822415361 /nfs/dbraw/zinc/41/53/61/822415361.db2.gz MCPMOIXDFQWYQI-DLBZAZTESA-N 1 0 383.536 4.081 20 0 GIADRO CCOc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000045812737 822415425 /nfs/dbraw/zinc/41/54/25/822415425.db2.gz KODGOJMMWYLUQX-JKSUJKDBSA-N 1 0 395.503 4.112 20 0 GIADRO O[C@@H](C[NH2+]C1(c2ccc(F)cc2)CCOCC1)Cc1ccc(C(F)(F)F)cc1 ZINC000178852986 822416386 /nfs/dbraw/zinc/41/63/86/822416386.db2.gz NWHRJMHZQRJKNG-LJQANCHMSA-N 1 0 397.412 4.043 20 0 GIADRO O=C(CCc1nc2ccccc2[nH]1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000045819160 822416398 /nfs/dbraw/zinc/41/63/98/822416398.db2.gz UHNMCKVHRZQAST-HXUWFJFHSA-N 1 0 396.922 4.102 20 0 GIADRO C[C@H]([NH3+])C1CCN(C(=O)c2cc3sc(Nc4ccccc4)nc3s2)CC1 ZINC000178867621 822417742 /nfs/dbraw/zinc/41/77/42/822417742.db2.gz RUOLLYDDZGQOJY-LBPRGKRZSA-N 1 0 386.546 4.301 20 0 GIADRO Cc1noc(C)c1[C@@H](C)CNC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000178874375 822418198 /nfs/dbraw/zinc/41/81/98/822418198.db2.gz IFBUCJHYASIFKT-KRWDZBQOSA-N 1 0 391.515 4.457 20 0 GIADRO CC[C@H]1C[C@H](C(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)CCO1 ZINC000183058344 822418535 /nfs/dbraw/zinc/41/85/35/822418535.db2.gz LIUFLZYXWLOEFA-IRLDBZIGSA-N 1 0 380.532 4.237 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1[nH]c(C)c(C(=O)OC(C)C)c1C)c1ccccc1 ZINC000045843476 822418590 /nfs/dbraw/zinc/41/85/90/822418590.db2.gz DCTUBTNBPOAJMZ-IBGZPJMESA-N 1 0 399.535 4.010 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1cc2cnn(C(C)C)c2nc1C)c1ccccc1 ZINC000045843390 822418625 /nfs/dbraw/zinc/41/86/25/822418625.db2.gz BDVOKXNHNDLNQZ-NRFANRHFSA-N 1 0 393.535 4.134 20 0 GIADRO C[C@H](c1ccc(F)cc1)N(C)C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000178888190 822419456 /nfs/dbraw/zinc/41/94/56/822419456.db2.gz SLHHQHBORPBDLZ-IAGOWNOFSA-N 1 0 384.499 4.149 20 0 GIADRO CCN(CCc1nccs1)C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000178905689 822420635 /nfs/dbraw/zinc/42/06/35/822420635.db2.gz OFZURYBMQGANGG-UHFFFAOYSA-N 1 0 393.556 4.480 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1sc(-c2ccccn2)nc1C)c1ccccc1 ZINC000045873990 822420783 /nfs/dbraw/zinc/42/07/83/822420783.db2.gz RUVRWBHSCKYCHP-LJQANCHMSA-N 1 0 394.544 4.326 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)C(=O)Nc3ccc(Cl)cc3Cl)ccc21 ZINC000453983029 822421057 /nfs/dbraw/zinc/42/10/57/822421057.db2.gz KYNUYMWMWDYXPN-QGZVFWFLSA-N 1 0 392.286 4.120 20 0 GIADRO CC(C)Sc1ccccc1NC(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000453993053 822421385 /nfs/dbraw/zinc/42/13/85/822421385.db2.gz RSNOERLUYZYVES-LJQANCHMSA-N 1 0 397.544 4.313 20 0 GIADRO CCCN(C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)[C@H]1CC[NH2+]C1 ZINC000178924112 822422136 /nfs/dbraw/zinc/42/21/36/822422136.db2.gz YNHMZGFITBEYIA-INIZCTEOSA-N 1 0 393.409 4.107 20 0 GIADRO COc1cc([C@H](C)[NH2+]Cc2ccc(CO)cc2)ccc1OCc1ccncc1 ZINC000183100039 822424458 /nfs/dbraw/zinc/42/44/58/822424458.db2.gz BWNUFAORJRULJJ-KRWDZBQOSA-N 1 0 378.472 4.012 20 0 GIADRO C[C@H](CCNC(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F)[NH+]1CCCCC1 ZINC000183105727 822425182 /nfs/dbraw/zinc/42/51/82/822425182.db2.gz OOGSQUZFQQVRRR-DJIMGWMZSA-N 1 0 384.442 4.069 20 0 GIADRO C[NH2+]C[C@@H]1CCN(C(=O)c2ccccc2OCc2ccc(Cl)cc2Cl)C1 ZINC000178986625 822426699 /nfs/dbraw/zinc/42/66/99/822426699.db2.gz BPJJVEMHAVQIBJ-AWEZNQCLSA-N 1 0 393.314 4.254 20 0 GIADRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(CCc2cccnc2)CC1 ZINC000178991732 822427124 /nfs/dbraw/zinc/42/71/24/822427124.db2.gz OQTVDFJCSCZRSK-UHFFFAOYSA-N 1 0 377.454 4.239 20 0 GIADRO C/C(=C\C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1OC(F)F ZINC000178994595 822427519 /nfs/dbraw/zinc/42/75/19/822427519.db2.gz GYWNWBGEGOTJQS-RRFVSPSMSA-N 1 0 390.474 4.167 20 0 GIADRO CC(C)[C@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)NCC(C)(C)C3=CCCC3)c2C1 ZINC000454087110 822427850 /nfs/dbraw/zinc/42/78/50/822427850.db2.gz MCHKKFBSVZNTRC-KRWDZBQOSA-N 1 0 397.563 4.238 20 0 GIADRO COc1c(C)ccc(NC(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)c1C ZINC000179002212 822428353 /nfs/dbraw/zinc/42/83/53/822428353.db2.gz WGKSADDJQJSMBE-KRWDZBQOSA-N 1 0 382.508 4.054 20 0 GIADRO COc1cccc([C@H]2CCCN2C(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000045977124 822428592 /nfs/dbraw/zinc/42/85/92/822428592.db2.gz VHKNPIWDGQTVRA-HSZRJFAPSA-N 1 0 393.531 4.338 20 0 GIADRO O=C(NCCc1ccc(Cl)s1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000045976888 822428656 /nfs/dbraw/zinc/42/86/56/822428656.db2.gz ONNRZNHHVKMYEW-UHFFFAOYSA-N 1 0 377.941 4.039 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)cc1 ZINC000045980030 822429131 /nfs/dbraw/zinc/42/91/31/822429131.db2.gz MQROLBBBAAVGSV-UHFFFAOYSA-N 1 0 394.519 4.199 20 0 GIADRO CCc1nn(C)c(CC)c1C[NH2+]Cc1cc(C)c(OCc2ccccn2)c(C)c1 ZINC000179009374 822429434 /nfs/dbraw/zinc/42/94/34/822429434.db2.gz WKECXBFFUUJXCA-UHFFFAOYSA-N 1 0 392.547 4.426 20 0 GIADRO C[NH2+]C[C@H]1CCN(C(=O)c2ccccc2Nc2cccc(C(F)(F)F)c2)C1 ZINC000179011392 822429886 /nfs/dbraw/zinc/42/98/86/822429886.db2.gz JDLGSRZNYAPNIU-CQSZACIVSA-N 1 0 377.410 4.131 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)Nc2cc(NC(C)=O)ccc2C)c1 ZINC000045986627 822430611 /nfs/dbraw/zinc/43/06/11/822430611.db2.gz HUQXHELQFJLWDG-UHFFFAOYSA-N 1 0 382.508 4.117 20 0 GIADRO Cc1cccc([C@@H](C)NC(=O)C(=O)Nc2cccc3c2C[N@H+]([C@H](C)C(C)C)C3)c1 ZINC000454113146 822430651 /nfs/dbraw/zinc/43/06/51/822430651.db2.gz XMZDSPDFAJZNFQ-QZTJIDSGSA-N 1 0 393.531 4.171 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1c(Cl)cccc1Cl)c1ccccc1-n1cccn1 ZINC000183147158 822430935 /nfs/dbraw/zinc/43/09/35/822430935.db2.gz INJTZVORJQYPPN-ZDUSSCGKSA-N 1 0 389.286 4.468 20 0 GIADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)Nc2ccc3scnc3c2)CC1 ZINC000179027283 822431140 /nfs/dbraw/zinc/43/11/40/822431140.db2.gz YLMSADNPVYUWSD-CQSZACIVSA-N 1 0 381.505 4.038 20 0 GIADRO Cc1cc(C)c(NC(=O)CCC[NH2+][C@H](C[S@](C)=O)c2ccccc2)c(C)c1 ZINC000183149620 822431663 /nfs/dbraw/zinc/43/16/63/822431663.db2.gz WNFAZFGKJJZYMU-HRFSGMKKSA-N 1 0 386.561 4.040 20 0 GIADRO Cc1cc(C)c(NC(=O)CCC[NH2+][C@H](C[S@@](C)=O)c2ccccc2)c(C)c1 ZINC000183149661 822431680 /nfs/dbraw/zinc/43/16/80/822431680.db2.gz WNFAZFGKJJZYMU-NFQMXDRXSA-N 1 0 386.561 4.040 20 0 GIADRO CN(C)c1cccc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccs2)n1 ZINC000179034382 822432078 /nfs/dbraw/zinc/43/20/78/822432078.db2.gz HYWZDNZGVZPEPB-UHFFFAOYSA-N 1 0 389.528 4.352 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 ZINC000183152219 822432222 /nfs/dbraw/zinc/43/22/22/822432222.db2.gz AOUMGMBWWXLEQL-YESZJQIVSA-N 1 0 394.494 4.236 20 0 GIADRO O=C1C[C@@H](C[NH2+]Cc2ccccc2OC2CCCC2)CN1Cc1ccccc1 ZINC000179050428 822433433 /nfs/dbraw/zinc/43/34/33/822433433.db2.gz PBBPQASFOZWZAB-FQEVSTJZSA-N 1 0 378.516 4.146 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CCC[C@@H]1c1ccc(F)cc1F ZINC000454151649 822433471 /nfs/dbraw/zinc/43/34/71/822433471.db2.gz NIPOBUNJIHXSRG-RTBURBONSA-N 1 0 389.446 4.241 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CCC[C@H]1c1ccc(F)cc1F ZINC000454151648 822433512 /nfs/dbraw/zinc/43/35/12/822433512.db2.gz NIPOBUNJIHXSRG-RBUKOAKNSA-N 1 0 389.446 4.241 20 0 GIADRO c1nn(Cc2ccccn2)cc1N[C@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000183160917 822433518 /nfs/dbraw/zinc/43/35/18/822433518.db2.gz FFGJUNAOCNYTJU-ZTCOLXNVSA-N 1 0 387.531 4.039 20 0 GIADRO Cc1cc(C[NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc(C)c1OC(F)F ZINC000179053673 822433623 /nfs/dbraw/zinc/43/36/23/822433623.db2.gz VBAUANOWWGTIGE-IBGZPJMESA-N 1 0 388.458 4.043 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1cccc(OCC(F)(F)F)c1 ZINC000046008504 822434007 /nfs/dbraw/zinc/43/40/07/822434007.db2.gz QYGVGWCREQSBCG-OAHLLOKOSA-N 1 0 387.446 4.404 20 0 GIADRO O=C(O[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1csc(-c2ccccn2)n1 ZINC000183168126 822434778 /nfs/dbraw/zinc/43/47/78/822434778.db2.gz FAUXHVZQUSWIHX-KRWDZBQOSA-N 1 0 379.485 4.027 20 0 GIADRO O=C(O[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1csc(-c2ccccn2)n1 ZINC000183168148 822434782 /nfs/dbraw/zinc/43/47/82/822434782.db2.gz FAUXHVZQUSWIHX-QGZVFWFLSA-N 1 0 379.485 4.027 20 0 GIADRO COc1cc(Cl)c(C)cc1NC(=O)C[NH2+][C@@H](C)c1ccccc1-n1cccn1 ZINC000183170643 822435030 /nfs/dbraw/zinc/43/50/30/822435030.db2.gz TZUPPNWWNPCGIF-HNNXBMFYSA-N 1 0 398.894 4.132 20 0 GIADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2nc3cc(Cl)ccc3s2)C1 ZINC000454170771 822435420 /nfs/dbraw/zinc/43/54/20/822435420.db2.gz YFFIRTNNSNPWNA-NFAWXSAZSA-N 1 0 377.941 4.427 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCC1)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000454174554 822435609 /nfs/dbraw/zinc/43/56/09/822435609.db2.gz FAOFCJBOXSRLLH-OAQYLSRUSA-N 1 0 379.504 4.312 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[C@@H](C(F)(F)F)C[C@@H]2C)cc1 ZINC000454174728 822435791 /nfs/dbraw/zinc/43/57/91/822435791.db2.gz WWHYGRJMTDDBMW-MAUKXSAKSA-N 1 0 385.474 4.401 20 0 GIADRO Fc1ccc(-c2noc(CCC[NH2+]C3CCN(c4ccccc4)CC3)n2)cc1 ZINC000183177924 822436275 /nfs/dbraw/zinc/43/62/75/822436275.db2.gz OWCNLDOVVWLPDG-UHFFFAOYSA-N 1 0 380.467 4.067 20 0 GIADRO COCc1ccccc1NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000046031225 822436951 /nfs/dbraw/zinc/43/69/51/822436951.db2.gz UKGPSUZWIIANNE-SFHVURJKSA-N 1 0 381.520 4.387 20 0 GIADRO COCc1ccccc1NC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000046033104 822437367 /nfs/dbraw/zinc/43/73/67/822437367.db2.gz IXINJYRMTTZPBO-IBGZPJMESA-N 1 0 387.549 4.489 20 0 GIADRO Cc1ccc(-c2ccsc2C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)cc1 ZINC000046047311 822437912 /nfs/dbraw/zinc/43/79/12/822437912.db2.gz MHGOUECNXGTUPX-LJQANCHMSA-N 1 0 384.545 4.050 20 0 GIADRO Cc1noc(C)c1C[N@H+](C)C[C@H](O)CO[C@@H](c1ccccc1)c1ccccc1C ZINC000046060697 822438510 /nfs/dbraw/zinc/43/85/10/822438510.db2.gz JTQFUXXLCNWZBB-URXFXBBRSA-N 1 0 394.515 4.199 20 0 GIADRO Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]Cc1cccc(CS(C)(=O)=O)c1 ZINC000179107258 822438800 /nfs/dbraw/zinc/43/88/00/822438800.db2.gz GFYCEGOPIGRIIX-LJQANCHMSA-N 1 0 393.936 4.197 20 0 GIADRO COc1ccccc1SC[C@H](C)C[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000183191717 822438831 /nfs/dbraw/zinc/43/88/31/822438831.db2.gz UQQBADKRCTXLKZ-CQSZACIVSA-N 1 0 376.488 4.040 20 0 GIADRO O=C(c1cc(-c2ccccn2)ccc1Cl)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000179109392 822439080 /nfs/dbraw/zinc/43/90/80/822439080.db2.gz KVJCQLPUBBDLCN-GOSISDBHSA-N 1 0 383.923 4.493 20 0 GIADRO COc1ccc(-c2csc(CNC(=O)N3CCC[C@@H]4C[N@H+](C)CC[C@@H]43)c2)cc1 ZINC000183197138 822439846 /nfs/dbraw/zinc/43/98/46/822439846.db2.gz PWAVWNUPZPSLIY-UTKZUKDTSA-N 1 0 399.560 4.049 20 0 GIADRO COc1ccc(-c2ccc(CNC(=O)N3CCC[C@@H]4C[N@H+](C)CC[C@@H]43)s2)cc1 ZINC000183197471 822440004 /nfs/dbraw/zinc/44/00/04/822440004.db2.gz RPPOUJTULPKJJK-XLIONFOSSA-N 1 0 399.560 4.049 20 0 GIADRO CO[C@H]([C@H](C)NC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1)C1CC1 ZINC000454232874 822441744 /nfs/dbraw/zinc/44/17/44/822441744.db2.gz WLPUYRWVYFDVDI-GAJHUEQPSA-N 1 0 395.547 4.028 20 0 GIADRO CC[C@@H](CC(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1)c1ccc(OC)cc1 ZINC000179149001 822443959 /nfs/dbraw/zinc/44/39/59/822443959.db2.gz ZPZSFVWVTPFQPM-IBGZPJMESA-N 1 0 395.547 4.360 20 0 GIADRO O=C(CCOc1ccccc1Cl)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000046147532 822444254 /nfs/dbraw/zinc/44/42/54/822444254.db2.gz LKUWANYJQPEHHX-MRXNPFEDSA-N 1 0 378.925 4.124 20 0 GIADRO COc1cccc([C@@H]2[C@@H](NC(=O)[C@H](C)c3cccc(F)c3)CC[N@@H+]2C2CC2)c1 ZINC000183231552 822444902 /nfs/dbraw/zinc/44/49/02/822444902.db2.gz NQYHXLOYYLBFDY-KBJGYGKASA-N 1 0 382.479 4.032 20 0 GIADRO CC(=O)Nc1cc(C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)ccc1C ZINC000046156334 822445523 /nfs/dbraw/zinc/44/55/23/822445523.db2.gz MVSQCYYDIYSHRU-INIZCTEOSA-N 1 0 379.504 4.438 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)Nc2ccn(CCC(C)C)n2)CC1 ZINC000183234474 822445567 /nfs/dbraw/zinc/44/55/67/822445567.db2.gz BYFFIBBHSSUMKP-UHFFFAOYSA-N 1 0 377.577 4.295 20 0 GIADRO CN(C(=O)Nc1cc(Cl)ccc1F)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000454266806 822446458 /nfs/dbraw/zinc/44/64/58/822446458.db2.gz IJRGARUUBGGDDS-UHFFFAOYSA-N 1 0 381.801 4.360 20 0 GIADRO C[NH+](C)CCN(Cc1ccco1)C(=O)c1cc(-c2ccccn2)ccc1Cl ZINC000179167385 822446642 /nfs/dbraw/zinc/44/66/42/822446642.db2.gz KBHIGGZTGVHDGD-UHFFFAOYSA-N 1 0 383.879 4.199 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)c1cn(-c2ccccc2)nn1)C1CCCCC1 ZINC000046189393 822448434 /nfs/dbraw/zinc/44/84/34/822448434.db2.gz NZRJFUXZSNDYOT-UHFFFAOYSA-N 1 0 389.503 4.284 20 0 GIADRO Cc1cc(C(=O)Nc2ccc(OCC[NH3+])cc2)c(C)n1[C@@H](C)c1ccccc1 ZINC000183254844 822449080 /nfs/dbraw/zinc/44/90/80/822449080.db2.gz KRBVGHCHULJFPN-KRWDZBQOSA-N 1 0 377.488 4.304 20 0 GIADRO O=C1CCCN1Cc1ccccc1C[NH2+][C@H]1CCc2c1cccc2Br ZINC000179204942 822450475 /nfs/dbraw/zinc/45/04/75/822450475.db2.gz ILYYBCJIVZBPDL-FQEVSTJZSA-N 1 0 399.332 4.349 20 0 GIADRO COC[C@H]([NH2+]CCCc1nc(-c2ccncc2)cs1)c1ccc(F)c(F)c1 ZINC000183268668 822451040 /nfs/dbraw/zinc/45/10/40/822451040.db2.gz JHWLUZOHMRUBLE-SFHVURJKSA-N 1 0 389.471 4.393 20 0 GIADRO Cc1nnc(-c2ccccc2C(=O)OC[C@H]2CCC[N@H+](Cc3ccccc3)C2)o1 ZINC000183272002 822451636 /nfs/dbraw/zinc/45/16/36/822451636.db2.gz WVFVBDXSGMMHEG-IBGZPJMESA-N 1 0 391.471 4.114 20 0 GIADRO COc1cccc([C@H]2[C@H](NC(=O)c3coc4ccccc34)CC[N@@H+]2C2CC2)c1 ZINC000183274439 822452064 /nfs/dbraw/zinc/45/20/64/822452064.db2.gz NHAYLUARZXQMCM-IRLDBZIGSA-N 1 0 376.456 4.149 20 0 GIADRO C[C@@H](C[NH2+][C@@H](C)c1ncc(Br)s1)N1CCc2sccc2C1 ZINC000179215687 822452602 /nfs/dbraw/zinc/45/26/02/822452602.db2.gz SVQQDQNSFRHQAA-QWRGUYRKSA-N 1 0 386.384 4.065 20 0 GIADRO COc1ccc(C2(C[NH2+][C@@H](c3nccn3C)C3CC3)CCCCC2)cc1OC ZINC000183278991 822452864 /nfs/dbraw/zinc/45/28/64/822452864.db2.gz YPCARLARJRUMPZ-OAQYLSRUSA-N 1 0 383.536 4.380 20 0 GIADRO COc1cccc([C@H]2[C@H](NC(=O)c3c(F)cccc3Cl)CC[N@@H+]2C2CC2)c1 ZINC000183279231 822452866 /nfs/dbraw/zinc/45/28/66/822452866.db2.gz HXSUIESXLRIZNR-QUCCMNQESA-N 1 0 388.870 4.196 20 0 GIADRO COc1cccc([C@H](C[NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)N(C)C)c1 ZINC000183281092 822453032 /nfs/dbraw/zinc/45/30/32/822453032.db2.gz LHPKFZLVFFQADU-GOTSBHOMSA-N 1 0 379.479 4.211 20 0 GIADRO COc1cccc(N2CC[C@@H](C[NH2+][C@H](C)c3ncc(Br)s3)C2)c1 ZINC000179222485 822453271 /nfs/dbraw/zinc/45/32/71/822453271.db2.gz DYRRHUZUXPMBQV-OLZOCXBDSA-N 1 0 396.354 4.091 20 0 GIADRO COc1ccc(COCCC[NH2+][C@@H](C)c2ncc(Br)s2)cc1 ZINC000179222919 822453573 /nfs/dbraw/zinc/45/35/73/822453573.db2.gz IRZDRFLAXSOXJK-LBPRGKRZSA-N 1 0 385.327 4.172 20 0 GIADRO COc1ccc(C[C@H](C)[NH2+][C@H](C)c2ncc(Br)s2)cc1OC ZINC000179227406 822453989 /nfs/dbraw/zinc/45/39/89/822453989.db2.gz UJHXGWYECQQUCM-WDEREUQCSA-N 1 0 385.327 4.205 20 0 GIADRO Fc1ccc([C@H](C[NH2+][C@@H](c2ccco2)c2ccccc2)N2CCOCC2)cc1 ZINC000183295902 822454660 /nfs/dbraw/zinc/45/46/60/822454660.db2.gz NGLZGTJBKYAGDH-JTHBVZDNSA-N 1 0 380.463 4.171 20 0 GIADRO CCc1noc(C)c1CNC(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000454307568 822455597 /nfs/dbraw/zinc/45/55/97/822455597.db2.gz APZAIGLFVHNHHU-IAGOWNOFSA-N 1 0 398.551 4.023 20 0 GIADRO C[C@H](N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1ncc(Br)s1 ZINC000179239072 822456106 /nfs/dbraw/zinc/45/61/06/822456106.db2.gz JCRSXXXZGQJDRN-YDHLFZDLSA-N 1 0 380.355 4.219 20 0 GIADRO O=C(OCc1nc(C(F)(F)F)cs1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000179238766 822456119 /nfs/dbraw/zinc/45/61/19/822456119.db2.gz OGESVEJIAOYZOX-CQSZACIVSA-N 1 0 384.423 4.117 20 0 GIADRO CC(C)C(=O)Nc1ccc(CNC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)cc1 ZINC000454311636 822456280 /nfs/dbraw/zinc/45/62/80/822456280.db2.gz DVQBQAZUGUHUPA-NRFANRHFSA-N 1 0 394.519 4.152 20 0 GIADRO Cc1cc(C)c(CNC(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)cn1 ZINC000454311237 822456338 /nfs/dbraw/zinc/45/63/38/822456338.db2.gz KWTVELBNIMEIKV-IBGZPJMESA-N 1 0 380.536 4.072 20 0 GIADRO CC[C@H](C)n1ncc(C(=O)NCc2ccccc2C[NH+]2CCCC2)c1C1CC1 ZINC000179253036 822457591 /nfs/dbraw/zinc/45/75/91/822457591.db2.gz FSFIIYMMUKEUCD-KRWDZBQOSA-N 1 0 380.536 4.257 20 0 GIADRO C[C@H](c1nc2ccccc2s1)N(C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179262471 822458674 /nfs/dbraw/zinc/45/86/74/822458674.db2.gz DEBMVFMDPZZCDC-MOXGXCLJSA-N 1 0 394.544 4.444 20 0 GIADRO COc1ccc(C[C@@H](C)C[N@H+](C)[C@@H](C)C(=O)Nc2c(F)cccc2F)cc1 ZINC000179263348 822458741 /nfs/dbraw/zinc/45/87/41/822458741.db2.gz QOQTZSMOQLAZFW-CABCVRRESA-N 1 0 376.447 4.111 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1cccc(Br)c1Cl)c1ccc(F)cc1 ZINC000183323697 822459102 /nfs/dbraw/zinc/45/91/02/822459102.db2.gz WMGRPMRSQJBJCE-OAHLLOKOSA-N 1 0 399.691 4.274 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1cccc(Br)c1Cl)c1ccc(F)cc1 ZINC000183323679 822459113 /nfs/dbraw/zinc/45/91/13/822459113.db2.gz WMGRPMRSQJBJCE-HNNXBMFYSA-N 1 0 399.691 4.274 20 0 GIADRO C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1)c1ncc(Br)s1 ZINC000183333678 822460180 /nfs/dbraw/zinc/46/01/80/822460180.db2.gz FLNBIFSQMRYYCT-JQWIXIFHSA-N 1 0 386.746 4.489 20 0 GIADRO C[N@H+](Cc1ccccc1CNC(=O)NCCC[C@H]1CCOC1)C1CCCCC1 ZINC000454359863 822461733 /nfs/dbraw/zinc/46/17/33/822461733.db2.gz ICWCDFTXMOYCKI-IBGZPJMESA-N 1 0 387.568 4.067 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cnn1C ZINC000183356110 822463123 /nfs/dbraw/zinc/46/31/23/822463123.db2.gz YPZZPJAWBOHWHG-VHSXEESVSA-N 1 0 388.821 4.079 20 0 GIADRO COC(=O)[C@@H](C)Sc1ccccc1C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000183358540 822463243 /nfs/dbraw/zinc/46/32/43/822463243.db2.gz HSNNEEKSFOMQKD-MRXNPFEDSA-N 1 0 398.528 4.188 20 0 GIADRO Cc1c([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cnn1C ZINC000183357831 822463284 /nfs/dbraw/zinc/46/32/84/822463284.db2.gz LZUMRYOMEHETFB-NXEZZACHSA-N 1 0 388.821 4.079 20 0 GIADRO Cc1c([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)cnn1C ZINC000183362288 822463852 /nfs/dbraw/zinc/46/38/52/822463852.db2.gz QBIHYOLTZBAQNK-CVEARBPZSA-N 1 0 378.476 4.199 20 0 GIADRO CC[NH+]1CCN(Cc2ccccc2CN[C@H](c2ccco2)c2ccccc2)CC1 ZINC000183365590 822464313 /nfs/dbraw/zinc/46/43/13/822464313.db2.gz GEAGAQKTAMLVPB-VWLOTQADSA-N 1 0 389.543 4.296 20 0 GIADRO CCN(C(=O)NC[C@@H](c1ccsc1)[NH+](C)C)[C@H](C)c1cccc(OC)c1 ZINC000046346969 822464338 /nfs/dbraw/zinc/46/43/38/822464338.db2.gz YUHSRNYCBLAPOF-BEFAXECRSA-N 1 0 375.538 4.152 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1c(F)c(F)c(F)c(F)c1F)[C@@H](C)c1ccccc1 ZINC000183369008 822464505 /nfs/dbraw/zinc/46/45/05/822464505.db2.gz OHRBXGDSCGKDOX-MXWKQRLJSA-N 1 0 386.364 4.491 20 0 GIADRO CC(C)(C[NH+]1CCCC1)NC(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000454373981 822464615 /nfs/dbraw/zinc/46/46/15/822464615.db2.gz GRMCYFMWMXCEIS-UHFFFAOYSA-N 1 0 395.507 4.327 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[C@H](C)c1ccccc1 ZINC000183374199 822465539 /nfs/dbraw/zinc/46/55/39/822465539.db2.gz TYRMHBAWQRHWSM-MJBXVCDLSA-N 1 0 375.856 4.357 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000183374300 822465566 /nfs/dbraw/zinc/46/55/66/822465566.db2.gz ZCRZZBHQOYEBHB-IRXDYDNUSA-N 1 0 376.504 4.209 20 0 GIADRO C[C@H](CCNC(=O)Nc1ccc(N(C)C)cc1C(F)(F)F)[NH+]1CCCCC1 ZINC000183384888 822466805 /nfs/dbraw/zinc/46/68/05/822466805.db2.gz FKHOYPLQVITFLJ-CQSZACIVSA-N 1 0 386.462 4.157 20 0 GIADRO CC(=O)Nc1ccc(F)c(NC(=O)N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)c1 ZINC000454386312 822466918 /nfs/dbraw/zinc/46/69/18/822466918.db2.gz OZJMQGNVOORAPZ-UHFFFAOYSA-N 1 0 392.519 4.148 20 0 GIADRO CCCCNC(=O)C1CC[NH+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000179329884 822466939 /nfs/dbraw/zinc/46/69/39/822466939.db2.gz GJXFCZXJYHEDGQ-UHFFFAOYSA-N 1 0 397.346 4.398 20 0 GIADRO Cc1csc([C@H](C)CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000183407923 822469775 /nfs/dbraw/zinc/46/97/75/822469775.db2.gz RYNDETCUEZWNQC-MIJOPJBOSA-N 1 0 398.576 4.050 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CCC(c3nc4ccccc4o3)CC2)C1 ZINC000046427329 822472260 /nfs/dbraw/zinc/47/22/60/822472260.db2.gz XFWLRPZJNJIWEQ-HDICACEKSA-N 1 0 398.551 4.085 20 0 GIADRO Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(C[NH+]3CCC(CO)CC3)cc1)CCC2 ZINC000179369733 822472369 /nfs/dbraw/zinc/47/23/69/822472369.db2.gz HZQLYENJSDFTBH-XMMPIXPASA-N 1 0 392.543 4.007 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)Nc1cc(F)c(F)cc1F ZINC000179381515 822473896 /nfs/dbraw/zinc/47/38/96/822473896.db2.gz AVQOYZLMKPGSDJ-UHFFFAOYSA-N 1 0 392.425 4.269 20 0 GIADRO C[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+](Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000179388124 822475263 /nfs/dbraw/zinc/47/52/63/822475263.db2.gz QQQONIMXJSUCKO-MRXNPFEDSA-N 1 0 384.524 4.202 20 0 GIADRO CC[C@H](C)N(CC[C@@H]1CCC[N@@H+]1C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000179401792 822477628 /nfs/dbraw/zinc/47/76/28/822477628.db2.gz BZGFDTMGOZAKST-HOTGVXAUSA-N 1 0 385.474 4.229 20 0 GIADRO C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+]Cc1cccc2cnccc21 ZINC000183457655 822477674 /nfs/dbraw/zinc/47/76/74/822477674.db2.gz ACSCFVDVUIFBIJ-SFHVURJKSA-N 1 0 388.515 4.342 20 0 GIADRO COc1ccc(C2(C[NH2+][C@H](C)c3nc4c(s3)CCCC4)CCOCC2)cc1 ZINC000179406758 822478411 /nfs/dbraw/zinc/47/84/11/822478411.db2.gz XNJRFCAEXKLXEH-MRXNPFEDSA-N 1 0 386.561 4.430 20 0 GIADRO Cc1cc2ncc([C@@H](C)[NH2+]Cc3cccc(NC(=O)CC(C)C)c3)c(C)n2n1 ZINC000179408564 822478624 /nfs/dbraw/zinc/47/86/24/822478624.db2.gz ALQYFUPXQCYRKJ-MRXNPFEDSA-N 1 0 379.508 4.182 20 0 GIADRO Cc1c([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2Oc2ccccc2)cnn1C ZINC000183462827 822478787 /nfs/dbraw/zinc/47/87/87/822478787.db2.gz AGVNIZRJJBPFOB-HZPDHXFCSA-N 1 0 378.476 4.199 20 0 GIADRO COc1cc(C[N@H+](C)CCC(=O)N2CCCCC2)ccc1OCc1ccccc1 ZINC000046503093 822479061 /nfs/dbraw/zinc/47/90/61/822479061.db2.gz DOLICGNBDWWSJR-UHFFFAOYSA-N 1 0 396.531 4.109 20 0 GIADRO Cc1cc2ncc([C@H](C)[NH2+][C@H](C)c3cnn(-c4ccc(F)cc4)c3C)c(C)n2n1 ZINC000179415393 822479471 /nfs/dbraw/zinc/47/94/71/822479471.db2.gz SEKINNROCXFATM-LSDHHAIUSA-N 1 0 392.482 4.391 20 0 GIADRO Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]Cc1ccccc1CS(=O)(=O)NC(C)C ZINC000179420158 822479937 /nfs/dbraw/zinc/47/99/37/822479937.db2.gz UZHZLZFBYPISPU-LAUBAEHRSA-N 1 0 386.561 4.161 20 0 GIADRO C[C@H]([NH2+]CC1(c2ccc(Br)cc2)CCOCC1)c1nccs1 ZINC000179420424 822479944 /nfs/dbraw/zinc/47/99/44/822479944.db2.gz WCPPHIOCKFGTEY-ZDUSSCGKSA-N 1 0 381.339 4.305 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1)c1nccs1 ZINC000179423282 822480315 /nfs/dbraw/zinc/48/03/15/822480315.db2.gz SWCKWOQCOHPFRS-PBHICJAKSA-N 1 0 379.957 4.299 20 0 GIADRO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)N1C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000454474632 822480871 /nfs/dbraw/zinc/48/08/71/822480871.db2.gz CFYCOCMHHZZDEQ-ZNMIVQPWSA-N 1 0 387.446 4.210 20 0 GIADRO COc1ccc(OC(C)C)c(NC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000183473921 822480898 /nfs/dbraw/zinc/48/08/98/822480898.db2.gz VRYXUFMDRUWZOI-SJORKVTESA-N 1 0 389.540 4.257 20 0 GIADRO C[C@H]([NH2+]CC1CCN(C(=O)c2ccccc2)CC1)c1nc2c(s1)CCCC2 ZINC000179433333 822482019 /nfs/dbraw/zinc/48/20/19/822482019.db2.gz NJALIMHXJHVDEJ-INIZCTEOSA-N 1 0 383.561 4.225 20 0 GIADRO O[C@H](C[N@H+](Cc1cnn(Cc2ccccc2)c1)Cc1ccccc1)c1ccco1 ZINC000179437882 822482679 /nfs/dbraw/zinc/48/26/79/822482679.db2.gz SMLWKGGZMXTDQH-HSZRJFAPSA-N 1 0 387.483 4.260 20 0 GIADRO Cc1ccnc(-c2ccc(NC(=O)N[C@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)cc2)n1 ZINC000183483960 822483441 /nfs/dbraw/zinc/48/34/41/822483441.db2.gz JTQPKTAWGHTFAA-MJGOQNOKSA-N 1 0 393.535 4.227 20 0 GIADRO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CCC[C@]2(CCSC2)C1 ZINC000454491149 822483928 /nfs/dbraw/zinc/48/39/28/822483928.db2.gz SVFZRBLKKIHJOC-VYTWWXLVSA-N 1 0 399.604 4.111 20 0 GIADRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)NC(C)(C)C[NH+](C)C ZINC000454491582 822484124 /nfs/dbraw/zinc/48/41/24/822484124.db2.gz UVRXGYGFADHRPT-UHFFFAOYSA-N 1 0 383.496 4.101 20 0 GIADRO CC(C)c1nccn1Cc1cccc(NC(=O)NCCCCC[NH+]2CCCC2)c1 ZINC000454493150 822484301 /nfs/dbraw/zinc/48/43/01/822484301.db2.gz AGZBQUPVHCSDJK-UHFFFAOYSA-N 1 0 397.567 4.442 20 0 GIADRO Cc1cccc(-c2n[nH]cc2C[N@H+]2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)c1 ZINC000179450091 822485033 /nfs/dbraw/zinc/48/50/33/822485033.db2.gz DDJNFANRHOFFNJ-KRWDZBQOSA-N 1 0 384.524 4.074 20 0 GIADRO COc1ccccc1NC(=O)C[C@H](C)[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000179454483 822485407 /nfs/dbraw/zinc/48/54/07/822485407.db2.gz YOGOQNNFGSYWOZ-HNNXBMFYSA-N 1 0 397.450 4.039 20 0 GIADRO CCOc1cc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)ccc1OC ZINC000454498727 822485474 /nfs/dbraw/zinc/48/54/74/822485474.db2.gz HYDIZNRYTMYXQJ-GOSISDBHSA-N 1 0 397.519 4.080 20 0 GIADRO C[C@@H](NC(=O)Nc1ccc(F)cc1OC(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183499877 822486471 /nfs/dbraw/zinc/48/64/71/822486471.db2.gz GZTJDKBUBZGNFH-OLZOCXBDSA-N 1 0 385.430 4.202 20 0 GIADRO COc1ccc([C@@H](CNC(=O)CCc2ccc3[nH]ccc3c2)[NH+]2CCCC2)cc1 ZINC000183506312 822487451 /nfs/dbraw/zinc/48/74/51/822487451.db2.gz DQCRMFHFNCVDCQ-HSZRJFAPSA-N 1 0 391.515 4.062 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)cc2)cc1NC(C)=O ZINC000183513942 822488539 /nfs/dbraw/zinc/48/85/39/822488539.db2.gz KEKSIPRBZCEGMZ-LZHZSBQWSA-N 1 0 388.895 4.488 20 0 GIADRO C[C@H](C[NH2+][C@H](C)c1ncc(Br)s1)c1nc(-c2ccccc2)no1 ZINC000179478952 822488623 /nfs/dbraw/zinc/48/86/23/822488623.db2.gz DRQUKQFTPFBTJP-GHMZBOCLSA-N 1 0 393.310 4.410 20 0 GIADRO Cc1ccc(NC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1-c1ncco1 ZINC000183526856 822490009 /nfs/dbraw/zinc/49/00/09/822490009.db2.gz COZWGFLJUAZZTR-IRXDYDNUSA-N 1 0 382.508 4.425 20 0 GIADRO C[C@H]([NH2+][C@@H](CNC(=O)OC(C)(C)C)c1ccc2ccccc2c1)[C@@H]1CCOC1 ZINC000179495218 822490789 /nfs/dbraw/zinc/49/07/89/822490789.db2.gz CMUJUHIRCRAWJZ-DQLDELGASA-N 1 0 384.520 4.420 20 0 GIADRO C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1)c1cccc(N2CCOC2=O)c1 ZINC000179494547 822490792 /nfs/dbraw/zinc/49/07/92/822490792.db2.gz JPVPDPNRGPEMKX-ONGXBYRLSA-N 1 0 399.922 4.393 20 0 GIADRO COC(=O)COc1ccccc1[C@H](C)[NH2+]Cc1ccnc(OC2CCCCC2)c1 ZINC000183531890 822490994 /nfs/dbraw/zinc/49/09/94/822490994.db2.gz BIJDGKDATUENGP-KRWDZBQOSA-N 1 0 398.503 4.196 20 0 GIADRO C[C@H](NC(=O)NCCCC[NH+]1CCC(C)CC1)c1cccc(OC(F)F)c1 ZINC000046609366 822491759 /nfs/dbraw/zinc/49/17/59/822491759.db2.gz SEVWOEQOOORJOF-INIZCTEOSA-N 1 0 383.483 4.160 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCCN(c2ccccc2F)C1)c1ncc(Br)s1 ZINC000179500406 822492131 /nfs/dbraw/zinc/49/21/31/822492131.db2.gz UAOGNYPHLLDJCY-NEPJUHHUSA-N 1 0 384.318 4.364 20 0 GIADRO COC(=O)COc1ccccc1[C@H](C)[NH2+]CCc1coc(-c2ccc(C)cc2)n1 ZINC000183540596 822492184 /nfs/dbraw/zinc/49/21/84/822492184.db2.gz XCASRJCWAOVPFT-KRWDZBQOSA-N 1 0 394.471 4.095 20 0 GIADRO COC(=O)COc1ccccc1[C@@H](C)[NH2+]CCc1coc(-c2ccc(C)cc2)n1 ZINC000183540615 822492237 /nfs/dbraw/zinc/49/22/37/822492237.db2.gz XCASRJCWAOVPFT-QGZVFWFLSA-N 1 0 394.471 4.095 20 0 GIADRO C[C@H]([NH2+][C@@H]1c2ccccc2CC[C@H]1C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000179505581 822492758 /nfs/dbraw/zinc/49/27/58/822492758.db2.gz MEGKFDBTNLKJJV-JLHGSKIFSA-N 1 0 384.545 4.201 20 0 GIADRO COc1ccc(C[C@@H](C)C[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)cc1OC ZINC000179507119 822492912 /nfs/dbraw/zinc/49/29/12/822492912.db2.gz CGCONZASLPQSBJ-IAGOWNOFSA-N 1 0 398.503 4.190 20 0 GIADRO C[C@@H](CNC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1)c1nccs1 ZINC000183552794 822493828 /nfs/dbraw/zinc/49/38/28/822493828.db2.gz SVSPPJFDQQVEPJ-KRWDZBQOSA-N 1 0 379.529 4.309 20 0 GIADRO Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000183556167 822494320 /nfs/dbraw/zinc/49/43/20/822494320.db2.gz NWGKIPZJAJUXQX-LEWJYISDSA-N 1 0 395.551 4.019 20 0 GIADRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C[C@H](O)c2cc3ccccc3s2)CC1 ZINC000183556770 822494361 /nfs/dbraw/zinc/49/43/61/822494361.db2.gz QVCGZFPGSNJKAU-IRXDYDNUSA-N 1 0 390.549 4.314 20 0 GIADRO CC(C)COc1ccc([C@H](C)[NH2+][C@@H](C)Cn2ncc3ccccc3c2=O)cc1 ZINC000179515541 822494616 /nfs/dbraw/zinc/49/46/16/822494616.db2.gz MQADUBHVTSWHDQ-ROUUACIJSA-N 1 0 379.504 4.171 20 0 GIADRO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@H](C)c1ccccc1C(F)(F)F ZINC000179514341 822494644 /nfs/dbraw/zinc/49/46/44/822494644.db2.gz AVFPIMWLVSWFGY-ZIAGYGMSSA-N 1 0 375.394 4.155 20 0 GIADRO CCn1nc(C)c(NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)c1C ZINC000179516533 822495021 /nfs/dbraw/zinc/49/50/21/822495021.db2.gz YXBHIIGGLGYBAO-MRXNPFEDSA-N 1 0 383.540 4.073 20 0 GIADRO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H](C)c1ccc(SC(F)F)cc1 ZINC000179516876 822495082 /nfs/dbraw/zinc/49/50/82/822495082.db2.gz SUZQRZXRRBAGTP-KGLIPLIRSA-N 1 0 389.471 4.451 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1cccc(-n2cccn2)c1)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000183567171 822495735 /nfs/dbraw/zinc/49/57/35/822495735.db2.gz FVQBHWRDJSNGEE-ABSDTBQOSA-N 1 0 394.544 4.337 20 0 GIADRO COc1cc([C@H](C)[NH2+]Cc2cccnc2OCC(F)F)ccc1OC(F)F ZINC000179521891 822496387 /nfs/dbraw/zinc/49/63/87/822496387.db2.gz MLOVQLUVOSMUQS-NSHDSACASA-N 1 0 388.361 4.186 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+][C@H]2CCN(c3ccc(Cl)c(F)c3)C2)s1 ZINC000179525413 822496892 /nfs/dbraw/zinc/49/68/92/822496892.db2.gz DCUOFWLCIAEERU-JSGCOSHPSA-N 1 0 397.947 4.362 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+][C@H]2CCN(c3ccc(Cl)c(F)c3)C2)s1 ZINC000179525395 822496940 /nfs/dbraw/zinc/49/69/40/822496940.db2.gz DCUOFWLCIAEERU-OCCSQVGLSA-N 1 0 397.947 4.362 20 0 GIADRO CC[C@@H]1c2ccsc2CCN1C(=O)C[NH2+][C@H](C)c1cccc(-n2cccn2)c1 ZINC000183597921 822499321 /nfs/dbraw/zinc/49/93/21/822499321.db2.gz HWWDNPPSCUTDRT-OXQOHEQNSA-N 1 0 394.544 4.120 20 0 GIADRO C[C@H]([NH2+]Cc1nn(-c2ccccc2)c2c1CCC2)c1cccc(-n2cccn2)c1 ZINC000183608466 822500573 /nfs/dbraw/zinc/50/05/73/822500573.db2.gz RIPZDUWWKQKSII-SFHVURJKSA-N 1 0 383.499 4.398 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cnc3ccc(F)cc3c2)[C@@H]1c1cccs1 ZINC000179550468 822501804 /nfs/dbraw/zinc/50/18/04/822501804.db2.gz MPVGJZRSGFDTHO-VBKZILBWSA-N 1 0 383.492 4.248 20 0 GIADRO O=C(OC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ncccc1C(F)(F)F ZINC000183619151 822502089 /nfs/dbraw/zinc/50/20/89/822502089.db2.gz GUUARUBRYMETBA-MRXNPFEDSA-N 1 0 378.394 4.169 20 0 GIADRO Cc1c2ccccc2oc1[C@H](C)[NH2+]CC(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000183627134 822503258 /nfs/dbraw/zinc/50/32/58/822503258.db2.gz RTAIKDKCIZVOFU-OALUTQOASA-N 1 0 391.515 4.035 20 0 GIADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)Nc3cccc(COC4CCCCC4)c3)C2)C1 ZINC000454612601 822506210 /nfs/dbraw/zinc/50/62/10/822506210.db2.gz XQGKSRWILUXSBO-HSZRJFAPSA-N 1 0 385.552 4.486 20 0 GIADRO C[C@@H](NC(=O)Nc1ccc(F)cc1OCC(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183654417 822506514 /nfs/dbraw/zinc/50/65/14/822506514.db2.gz NACPSAJOHDWNRH-ZIAGYGMSSA-N 1 0 399.457 4.244 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1ccccc1OC(F)F)c1cccc(OC(F)F)c1 ZINC000179583745 822507073 /nfs/dbraw/zinc/50/70/73/822507073.db2.gz XERFPVWXQBQYEU-NSHDSACASA-N 1 0 386.345 4.179 20 0 GIADRO Cc1nc2c(s1)[C@H]([NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1)CCC2 ZINC000179587117 822507439 /nfs/dbraw/zinc/50/74/39/822507439.db2.gz DYOBEENLFLWBAL-SOLBZPMBSA-N 1 0 375.925 4.044 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CCO[C@H](c2cccs2)C1)CC(C)C ZINC000454619850 822507592 /nfs/dbraw/zinc/50/75/92/822507592.db2.gz NTIWPNJHDIJSTH-BZSNNMDCSA-N 1 0 381.586 4.024 20 0 GIADRO Cc1sc2[nH]c(C[NH2+][C@@H](CCO)C(C)(C)C)nc(=O)c2c1-c1ccc(C)cc1 ZINC000183665511 822507871 /nfs/dbraw/zinc/50/78/71/822507871.db2.gz PMIDTHQVLNRUGT-INIZCTEOSA-N 1 0 399.560 4.155 20 0 GIADRO CN(C(=O)Nc1cccc(N2CCCC2)c1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000454620765 822508012 /nfs/dbraw/zinc/50/80/12/822508012.db2.gz PGVARIBTFANNLD-UHFFFAOYSA-N 1 0 398.473 4.167 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)[NH2+]C[C@H](O)COCc2ccc(Cl)cc2)cc1 ZINC000183672140 822509019 /nfs/dbraw/zinc/50/90/19/822509019.db2.gz DDSFQDGASXQDDN-AOMKIAJQSA-N 1 0 399.922 4.062 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000046722458 822509744 /nfs/dbraw/zinc/50/97/44/822509744.db2.gz SHEORXMMOTYYOG-UHFFFAOYSA-N 1 0 399.491 4.450 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1cc(-c2ccccc2)on1 ZINC000046730020 822510840 /nfs/dbraw/zinc/51/08/40/822510840.db2.gz QAULRUQGPAMTHX-UHFFFAOYSA-N 1 0 395.890 4.389 20 0 GIADRO CSc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(-n3ccnc3C)cc2)cc1 ZINC000183685489 822511098 /nfs/dbraw/zinc/51/10/98/822511098.db2.gz NSNWFOWYHVGWJZ-OAHLLOKOSA-N 1 0 380.517 4.192 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)C(C)(C)c1ccc(Br)cc1)c1cccs1 ZINC000046738180 822511591 /nfs/dbraw/zinc/51/15/91/822511591.db2.gz YVAXJNQKWGKNNB-HNNXBMFYSA-N 1 0 395.366 4.207 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N(C)Cc1ccccc1Br ZINC000046751303 822512790 /nfs/dbraw/zinc/51/27/90/822512790.db2.gz JAKXKLCAJDWTJC-INIZCTEOSA-N 1 0 396.373 4.245 20 0 GIADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)Nc3cccc(CSc4ccccn4)c3)C2)C1 ZINC000454657105 822513102 /nfs/dbraw/zinc/51/31/02/822513102.db2.gz FNYYBEYAECYGNR-JOCHJYFZSA-N 1 0 396.560 4.324 20 0 GIADRO CC(=O)c1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000179616460 822513579 /nfs/dbraw/zinc/51/35/79/822513579.db2.gz GAGPJDIOWAEOMI-OLZOCXBDSA-N 1 0 376.403 4.168 20 0 GIADRO CC[C@H](C)[NH+]1CCN(C(=O)Nc2cccc(C(=O)Nc3ccccc3)c2C)CC1 ZINC000454664778 822514338 /nfs/dbraw/zinc/51/43/38/822514338.db2.gz ZCPZXQKKUSEAPZ-KRWDZBQOSA-N 1 0 394.519 4.195 20 0 GIADRO O=C(NCCCCC[NH+]1CCCC1)Nc1ccc(-c2noc(C(F)F)n2)cc1 ZINC000454675999 822515791 /nfs/dbraw/zinc/51/57/91/822515791.db2.gz LLEDKQOVRFARMC-UHFFFAOYSA-N 1 0 393.438 4.062 20 0 GIADRO CCCC(=O)Nc1ccc(Cl)c(NC(=O)NC2CC[NH+](CC3CC3)CC2)c1 ZINC000179631199 822516260 /nfs/dbraw/zinc/51/62/60/822516260.db2.gz JVZUMSUJKZDPPP-UHFFFAOYSA-N 1 0 392.931 4.075 20 0 GIADRO COC(=O)c1cc2cc(C[NH2+][C@H](C)c3cc(OC)c(OC)cc3C)ccc2o1 ZINC000179631236 822516297 /nfs/dbraw/zinc/51/62/97/822516297.db2.gz AJAXSHIVKIMNQO-CQSZACIVSA-N 1 0 383.444 4.396 20 0 GIADRO COc1cc(OC)c(NC(=O)C[NH2+][C@@H](C)c2cccc(C)c2C)cc1Cl ZINC000183721077 822516553 /nfs/dbraw/zinc/51/65/53/822516553.db2.gz GLHRQDZWRKGRAG-AWEZNQCLSA-N 1 0 376.884 4.263 20 0 GIADRO COc1cc(C)c([C@H](C)[NH2+]CC(=O)N[C@@H](C)c2ccccc2Cl)cc1OC ZINC000179635082 822517035 /nfs/dbraw/zinc/51/70/35/822517035.db2.gz XINZQDGISSEFLM-GJZGRUSLSA-N 1 0 390.911 4.194 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)C(C)(C)c2ccc(Br)cc2)c1 ZINC000046788140 822517387 /nfs/dbraw/zinc/51/73/87/822517387.db2.gz SFQMXYPLXVUHJV-UHFFFAOYSA-N 1 0 389.337 4.105 20 0 GIADRO CN(C(=O)Nc1cccc(-n2cccc2)c1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000454688436 822517552 /nfs/dbraw/zinc/51/75/52/822517552.db2.gz HEWSGKYZXCWBTI-UHFFFAOYSA-N 1 0 394.441 4.358 20 0 GIADRO O=C(c1cc(F)cc(Br)c1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000046791947 822517639 /nfs/dbraw/zinc/51/76/39/822517639.db2.gz ZYNURRMCMHFTIE-UHFFFAOYSA-N 1 0 397.332 4.316 20 0 GIADRO CCOc1cc(C[NH2+][C@H](C)c2cccc(C)c2C)nc2nc(C(F)(F)F)nn21 ZINC000183739831 822519938 /nfs/dbraw/zinc/51/99/38/822519938.db2.gz ZEUYTDCKTRTXSL-CYBMUJFWSA-N 1 0 393.413 4.009 20 0 GIADRO CC1CC[NH+](Cc2ccc(CN[C@H](C(=O)NC3CC3)c3ccccc3)cc2)CC1 ZINC000046816402 822520753 /nfs/dbraw/zinc/52/07/53/822520753.db2.gz TVDTWCFYXFIQQI-DEOSSOPVSA-N 1 0 391.559 4.028 20 0 GIADRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)Nc2c[nH]nc2-c2ccccn2)c1 ZINC000179659836 822522138 /nfs/dbraw/zinc/52/21/38/822522138.db2.gz IEIODQORLLGDSL-UHFFFAOYSA-N 1 0 397.482 4.356 20 0 GIADRO Cc1nn(Cc2ccccc2)c(Cl)c1CNCc1cccc(C[NH+](C)C)c1 ZINC000046836871 822522759 /nfs/dbraw/zinc/52/27/59/822522759.db2.gz YRKCCENTDALTCH-UHFFFAOYSA-N 1 0 382.939 4.245 20 0 GIADRO COc1ccc(Cl)cc1[C@@H](CC(C)C)[NH2+]CC(=O)Nc1c(C)n[nH]c1C ZINC000179663501 822522842 /nfs/dbraw/zinc/52/28/42/822522842.db2.gz ZMDRGXOZTLWLGK-MRXNPFEDSA-N 1 0 378.904 4.004 20 0 GIADRO CCN(Cc1csc(-c2ccccn2)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000183756701 822523036 /nfs/dbraw/zinc/52/30/36/822523036.db2.gz ZHDVFSJXQUNBJM-FQEVSTJZSA-N 1 0 378.545 4.302 20 0 GIADRO O=C(CCC[NH2+][C@@H](c1ccccc1)c1ccc(F)cn1)N1Cc2ccccc2C1 ZINC000183756960 822523262 /nfs/dbraw/zinc/52/32/62/822523262.db2.gz GENRXDQRDAUFCX-DEOSSOPVSA-N 1 0 389.474 4.222 20 0 GIADRO CC(C)Oc1cccc([C@@H](C)[NH2+]CC(=O)NCCc2nc3ccccc3s2)c1 ZINC000179672083 822524069 /nfs/dbraw/zinc/52/40/69/822524069.db2.gz QFNBUMZITUFDBW-MRXNPFEDSA-N 1 0 397.544 4.093 20 0 GIADRO CC(C)[NH+](CCn1c(SCc2ccncc2)nc2ccccc2c1=O)C(C)C ZINC000046849306 822524094 /nfs/dbraw/zinc/52/40/94/822524094.db2.gz QDSNYFCJTAPXOE-UHFFFAOYSA-N 1 0 396.560 4.203 20 0 GIADRO COc1cccc([C@@H]2[C@@H](NC(=O)Nc3cc(F)ccc3C)CC[N@@H+]2C2CC2)c1 ZINC000183762787 822524202 /nfs/dbraw/zinc/52/42/02/822524202.db2.gz XKVUHHHGZSVGFQ-PZJWPPBQSA-N 1 0 383.467 4.242 20 0 GIADRO O[C@H](C[NH2+]Cc1cncc(Br)c1)c1ccc(-c2ccccc2)cc1 ZINC000183769449 822525907 /nfs/dbraw/zinc/52/59/07/822525907.db2.gz QVQBMSRJTOSLIF-HXUWFJFHSA-N 1 0 383.289 4.334 20 0 GIADRO Cn1c(CC[NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)nc2cc(F)ccc21 ZINC000183773643 822526293 /nfs/dbraw/zinc/52/62/93/822526293.db2.gz KBUXFASLTOCAMN-QFIPXVFZSA-N 1 0 378.426 4.168 20 0 GIADRO Cc1ccc(OC(F)F)c(CNc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)c1 ZINC000183778639 822527327 /nfs/dbraw/zinc/52/73/27/822527327.db2.gz HHCUWQCYVXUGHT-UHFFFAOYSA-N 1 0 391.462 4.407 20 0 GIADRO Cc1ccccc1OC[C@H](O)C[NH2+][C@H](C)c1cccc(OCc2ccccn2)c1 ZINC000179692724 822528614 /nfs/dbraw/zinc/52/86/14/822528614.db2.gz RTXCIKFIIMAZLT-DENIHFKCSA-N 1 0 392.499 4.060 20 0 GIADRO CCC(CC)n1nc(C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1C ZINC000179693893 822528851 /nfs/dbraw/zinc/52/88/51/822528851.db2.gz RLWXCOBFRQGJDA-FQEVSTJZSA-N 1 0 382.552 4.147 20 0 GIADRO C[C@H](NC(=O)NC[C@@H]1CCCCC1(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000454760672 822529384 /nfs/dbraw/zinc/52/93/84/822529384.db2.gz DBIUZNQEQGWHGU-UHOSZYNNSA-N 1 0 379.495 4.022 20 0 GIADRO COc1ccc(OCc2ccccn2)c(C[N@@H+]2CCC[C@@H]2c2cccn2C)c1 ZINC000179705107 822531563 /nfs/dbraw/zinc/53/15/63/822531563.db2.gz XSPHKAOPAYOHQU-JOCHJYFZSA-N 1 0 377.488 4.345 20 0 GIADRO C[C@@H](c1nc2ccccc2s1)N(C)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000046926410 822531665 /nfs/dbraw/zinc/53/16/65/822531665.db2.gz BTGCDDINFYHCTG-HNNXBMFYSA-N 1 0 382.533 4.261 20 0 GIADRO Brc1ccc([C@H]([NH2+]CCCOC[C@@H]2CCOC2)c2ccco2)cc1 ZINC000183821775 822532037 /nfs/dbraw/zinc/53/20/37/822532037.db2.gz VANNOULFGPGGOD-KXBFYZLASA-N 1 0 394.309 4.164 20 0 GIADRO Cc1nn(C)c2sc(C(=O)Nc3ccc(C[N@H+]4CCC[C@H](C)C4)cc3)cc12 ZINC000046934578 822532612 /nfs/dbraw/zinc/53/26/12/822532612.db2.gz YCRJIKNCAPRZRK-AWEZNQCLSA-N 1 0 382.533 4.427 20 0 GIADRO C[C@H](CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)NC(=O)c1ccccc1 ZINC000046934410 822532644 /nfs/dbraw/zinc/53/26/44/822532644.db2.gz UPKRQCPCDATQHT-RTBURBONSA-N 1 0 393.531 4.066 20 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CDTNWZVGJDBYDD-MRXNPFEDSA-N 1 0 376.884 4.278 20 0 GIADRO CC(C)(C)OC(=O)N1CC[C@H](C[NH+]2CCC(OCc3ccc(F)cc3)CC2)C1 ZINC000179739449 822539624 /nfs/dbraw/zinc/53/96/24/822539624.db2.gz XUHBNVSFKQYYJT-GOSISDBHSA-N 1 0 392.515 4.064 20 0 GIADRO CCOc1ccccc1[C@H](CC)[NH2+]CC(=O)Nc1ccccc1OC(F)F ZINC000179740350 822540042 /nfs/dbraw/zinc/54/00/42/822540042.db2.gz NYJLWJSPWAZUOQ-HNNXBMFYSA-N 1 0 378.419 4.366 20 0 GIADRO Cc1cccc(Cl)c1NC(=O)C[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179741009 822540332 /nfs/dbraw/zinc/54/03/32/822540332.db2.gz ZJGMNANQBYAZGJ-OAQYLSRUSA-N 1 0 386.879 4.099 20 0 GIADRO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000179740975 822540345 /nfs/dbraw/zinc/54/03/45/822540345.db2.gz WVOVQRXTHYSVST-SFHVURJKSA-N 1 0 397.519 4.007 20 0 GIADRO O=C(C[NH2+][C@H](CCCO)c1ccccc1)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000179741259 822540503 /nfs/dbraw/zinc/54/05/03/822540503.db2.gz MRALJKAOEASLOQ-VWNXMTODSA-N 1 0 398.522 4.277 20 0 GIADRO CN(Cc1cccc2ccccc21)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179742412 822540777 /nfs/dbraw/zinc/54/07/77/822540777.db2.gz XKCXLPVYNVUXGZ-UHFFFAOYSA-N 1 0 388.515 4.293 20 0 GIADRO O=C(NCc1ccccc1)C1CC[NH+](Cc2cccc(-c3cccnc3)c2)CC1 ZINC000179748910 822542045 /nfs/dbraw/zinc/54/20/45/822542045.db2.gz FRTZZCACHHXPPU-UHFFFAOYSA-N 1 0 385.511 4.277 20 0 GIADRO CCn1c(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)nc2cc(F)ccc21 ZINC000179752328 822542955 /nfs/dbraw/zinc/54/29/55/822542955.db2.gz NMOAYNJJFPGIAI-JOCHJYFZSA-N 1 0 381.451 4.207 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1ccc(F)c(Cl)c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000179760164 822545087 /nfs/dbraw/zinc/54/50/87/822545087.db2.gz VFRYPPVSDZYMKD-LBPRGKRZSA-N 1 0 389.858 4.117 20 0 GIADRO Cc1ccc(CN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C2CC2)cc1C ZINC000179760715 822545378 /nfs/dbraw/zinc/54/53/78/822545378.db2.gz AOYFDCIWVHJKDQ-UHFFFAOYSA-N 1 0 392.547 4.289 20 0 GIADRO C[N@@H+]1CC[C@@H](CNC(=O)Nc2cc(Cl)ccc2SCC(F)(F)F)C1 ZINC000454854141 822546233 /nfs/dbraw/zinc/54/62/33/822546233.db2.gz LRDUJINEYRDZRX-JTQLQIEISA-N 1 0 381.851 4.068 20 0 GIADRO CC(C)c1ccccc1NC(=O)C[NH2+][C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000179764027 822546906 /nfs/dbraw/zinc/54/69/06/822546906.db2.gz YNDVAIIFLPEOCR-MRXNPFEDSA-N 1 0 379.504 4.448 20 0 GIADRO O=C(NCC[NH+]1CCCCC1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000047141118 822548127 /nfs/dbraw/zinc/54/81/27/822548127.db2.gz MQLBSQHGRPHWJH-UHFFFAOYSA-N 1 0 393.409 4.108 20 0 GIADRO CC[C@@H]([NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1ccc(OC)cc1 ZINC000179767552 822548231 /nfs/dbraw/zinc/54/82/31/822548231.db2.gz RYPAYEWMXGRQEV-YCRPNKLZSA-N 1 0 395.503 4.112 20 0 GIADRO Cc1ccc(N2CCC(C(=O)Nc3cccc4c3C[N@H+](CC(C)C)C4)CC2)nc1 ZINC000179767655 822548241 /nfs/dbraw/zinc/54/82/41/822548241.db2.gz NYQFHYFAUHBQHN-UHFFFAOYSA-N 1 0 392.547 4.217 20 0 GIADRO CC1(C)Cc2occc2[C@@H](Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)C1 ZINC000183931015 822549165 /nfs/dbraw/zinc/54/91/65/822549165.db2.gz LJKPGBAKRXWLAP-FQEVSTJZSA-N 1 0 381.520 4.103 20 0 GIADRO O=C(NC1CC([NH+]2CCCCC2)C1)N[C@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000454882309 822550593 /nfs/dbraw/zinc/55/05/93/822550593.db2.gz KAHHWRXYDCPGMQ-OVZGMEQFSA-N 1 0 375.944 4.292 20 0 GIADRO CC[NH+]1CCN(c2ccccc2N[C@@H](C)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000179776860 822550661 /nfs/dbraw/zinc/55/06/61/822550661.db2.gz BHYJAZNUDONSOE-KRWDZBQOSA-N 1 0 399.535 4.027 20 0 GIADRO CCOCc1ccc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)cc1 ZINC000454892459 822551849 /nfs/dbraw/zinc/55/18/49/822551849.db2.gz UITCDEVMQSDRCR-LJQANCHMSA-N 1 0 381.520 4.209 20 0 GIADRO CC(=O)N(C)c1cccc(NC(=O)N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)c1 ZINC000454894522 822552323 /nfs/dbraw/zinc/55/23/23/822552323.db2.gz GQRYMLIXJKIEQM-UHFFFAOYSA-N 1 0 388.556 4.034 20 0 GIADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)CCCc2ncc(-c3ccccc3)o2)C1 ZINC000047187853 822552456 /nfs/dbraw/zinc/55/24/56/822552456.db2.gz RFTRRCAZTLDCMR-LJQANCHMSA-N 1 0 383.536 4.293 20 0 GIADRO COc1ccc(CC(=O)Nc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)cc1OC ZINC000047190862 822552756 /nfs/dbraw/zinc/55/27/56/822552756.db2.gz JPFKQOBSEXRIEC-QGZVFWFLSA-N 1 0 382.504 4.259 20 0 GIADRO CCC(=O)N1CCC[C@H](C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC000047209925 822554573 /nfs/dbraw/zinc/55/45/73/822554573.db2.gz HOLVFNZXQQPHNS-IBGZPJMESA-N 1 0 385.552 4.038 20 0 GIADRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000183970725 822555640 /nfs/dbraw/zinc/55/56/40/822555640.db2.gz HSNDFJFQAVWMBS-FBMGVBCBSA-N 1 0 393.487 4.121 20 0 GIADRO CCCCN(C(=O)Nc1cc(C)nn1C1CC[NH+](C)CC1)C1CCCCC1 ZINC000454930093 822558817 /nfs/dbraw/zinc/55/88/17/822558817.db2.gz SIXPBDOCICEILQ-UHFFFAOYSA-N 1 0 375.561 4.425 20 0 GIADRO C[C@H](NC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C1CC1 ZINC000454932256 822559215 /nfs/dbraw/zinc/55/92/15/822559215.db2.gz WPKHORCDLXIIIO-UAZXPBDKSA-N 1 0 375.944 4.352 20 0 GIADRO OCC[C@@H]([NH2+]Cc1nnc(-c2cc3c(s2)CCCC3)o1)C1CCCCC1 ZINC000183993550 822559879 /nfs/dbraw/zinc/55/98/79/822559879.db2.gz VYJIDBMNTRHXLX-MRXNPFEDSA-N 1 0 375.538 4.098 20 0 GIADRO C[N@H+](Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1c1cccnc1)C1CCCCC1 ZINC000454937325 822560150 /nfs/dbraw/zinc/56/01/50/822560150.db2.gz BLRXZEGGRLOXTH-XZOQPEGZSA-N 1 0 377.532 4.266 20 0 GIADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCC[C@H]1CCCCO1 ZINC000184001016 822561422 /nfs/dbraw/zinc/56/14/22/822561422.db2.gz SXJROBOBGOZEBB-WMLDXEAASA-N 1 0 383.330 4.105 20 0 GIADRO CC[NH+](CC)CCOc1cc(NC(=O)N2CCC[C@H](C)[C@@H]2C)ccc1OC ZINC000179831933 822562270 /nfs/dbraw/zinc/56/22/70/822562270.db2.gz AIKJNBORBOHSHB-IRXDYDNUSA-N 1 0 377.529 4.068 20 0 GIADRO Nc1c(Cl)cc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000047303252 822563436 /nfs/dbraw/zinc/56/34/36/822563436.db2.gz IJNATLZLBKNTPZ-UHFFFAOYSA-N 1 0 378.303 4.426 20 0 GIADRO C[C@@H]([NH2+]Cc1cc(=O)n2ccsc2n1)C(c1ccccc1)c1ccccc1 ZINC000184011855 822563597 /nfs/dbraw/zinc/56/35/97/822563597.db2.gz FOWAQUUVBXXZCW-MRXNPFEDSA-N 1 0 375.497 4.066 20 0 GIADRO O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)NCCCCC[NH+]1CCCCC1 ZINC000179839284 822563947 /nfs/dbraw/zinc/56/39/47/822563947.db2.gz HYPZGVAXXXAHPP-GOSISDBHSA-N 1 0 387.351 4.189 20 0 GIADRO O=C(NCCCSc1ccc(F)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000047305260 822563906 /nfs/dbraw/zinc/56/39/06/822563906.db2.gz JTWBCHMSCKOBMZ-UHFFFAOYSA-N 1 0 386.536 4.336 20 0 GIADRO COc1cc(C)c([C@H](C)NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000047307224 822564291 /nfs/dbraw/zinc/56/42/91/822564291.db2.gz DDSALLGNUPCHGL-SFHVURJKSA-N 1 0 396.531 4.102 20 0 GIADRO CNC(=O)c1cccc(C[NH2+]Cc2cccc(OCc3ccc(F)cc3)c2)c1 ZINC000179843146 822564668 /nfs/dbraw/zinc/56/46/68/822564668.db2.gz BVBOWIZXMJKEOF-UHFFFAOYSA-N 1 0 378.447 4.054 20 0 GIADRO Cn1nccc1CC[NH2+][C@@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC000184017403 822564924 /nfs/dbraw/zinc/56/49/24/822564924.db2.gz GXTSUNYXXHIJKE-LJQANCHMSA-N 1 0 388.284 4.243 20 0 GIADRO CN(C(=O)Nc1ccc2c(c1)CC(C)(C)O2)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000454974773 822565316 /nfs/dbraw/zinc/56/53/16/822565316.db2.gz ZITDHGUSSMDQAQ-UHFFFAOYSA-N 1 0 399.457 4.281 20 0 GIADRO O=C(CCCc1ccc2ccccc2c1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000179846481 822565373 /nfs/dbraw/zinc/56/53/73/822565373.db2.gz GNMBTYZMFDOVPS-UHFFFAOYSA-N 1 0 387.527 4.338 20 0 GIADRO C[C@@H](CC(=O)NC1CC[NH+](Cc2ccncc2)CC1)Cc1ccc(Cl)cc1 ZINC000179855293 822566862 /nfs/dbraw/zinc/56/68/62/822566862.db2.gz FPHUSDFTLHPPEA-QGZVFWFLSA-N 1 0 385.939 4.085 20 0 GIADRO Cc1ccc(-c2nnco2)cc1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000047330082 822567332 /nfs/dbraw/zinc/56/73/32/822567332.db2.gz JNHGPDKWKZQPEO-UHFFFAOYSA-N 1 0 376.460 4.283 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000455003315 822568693 /nfs/dbraw/zinc/56/86/93/822568693.db2.gz OBDAIIOPDRMUBI-UHFFFAOYSA-N 1 0 397.445 4.133 20 0 GIADRO C[C@H]([NH2+]Cc1csc(-c2ccc(Br)cc2)n1)C1CCOCC1 ZINC000179875598 822569596 /nfs/dbraw/zinc/56/95/96/822569596.db2.gz RJIXHWCTXYWSBC-LBPRGKRZSA-N 1 0 381.339 4.477 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)NCc1nc(C2CC2)no1)C1CCCCC1 ZINC000047351538 822569910 /nfs/dbraw/zinc/56/99/10/822569910.db2.gz KDLDEFRUOYRBLS-UHFFFAOYSA-N 1 0 383.496 4.033 20 0 GIADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1csc(-c2ccc(F)c(F)c2)n1 ZINC000184058486 822572521 /nfs/dbraw/zinc/57/25/21/822572521.db2.gz GJTMDYFTDWSFTG-AWEZNQCLSA-N 1 0 379.476 4.035 20 0 GIADRO COC(=O)COc1ccccc1[C@@H](C)[NH2+]Cc1ccccc1N1CCCCC1 ZINC000184063907 822573387 /nfs/dbraw/zinc/57/33/87/822573387.db2.gz KXBCWXHHXZWSPD-GOSISDBHSA-N 1 0 382.504 4.080 20 0 GIADRO O=C(NCCCCC[NH+]1CCCC1)N1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000455031902 822575533 /nfs/dbraw/zinc/57/55/33/822575533.db2.gz ICJWJJUJEFRSKI-UHFFFAOYSA-N 1 0 391.506 4.420 20 0 GIADRO C[C@H]([NH2+]CCCc1nc(-c2ccc(F)cc2)no1)c1ccc(-n2ccnc2)cc1 ZINC000184091002 822576525 /nfs/dbraw/zinc/57/65/25/822576525.db2.gz DMDCSBWDFBEHEG-INIZCTEOSA-N 1 0 391.450 4.345 20 0 GIADRO CSc1ccc([C@@H](CNC(=O)Nc2scnc2C2CC2)[NH+](C)C)cc1 ZINC000455035567 822576643 /nfs/dbraw/zinc/57/66/43/822576643.db2.gz BIZLQFFEQSQOEG-OAHLLOKOSA-N 1 0 376.551 4.167 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)c2cccnc2SC(F)F)CC1 ZINC000184093804 822576911 /nfs/dbraw/zinc/57/69/11/822576911.db2.gz YVYGMLMDIWNWFB-UHFFFAOYSA-N 1 0 385.524 4.371 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc(-c2ccccc2Cl)on1 ZINC000047444951 822579955 /nfs/dbraw/zinc/57/99/55/822579955.db2.gz GDVQEDVBFIVQMY-UHFFFAOYSA-N 1 0 395.890 4.389 20 0 GIADRO Cc1ccc(C(=O)Nc2cccc(C[NH+](C)C)c2)cc1NC(=O)c1ccco1 ZINC000047452860 822580933 /nfs/dbraw/zinc/58/09/33/822580933.db2.gz NPIPRCXLRMIELQ-UHFFFAOYSA-N 1 0 377.444 4.154 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(S(=O)(=O)CC)cc2)cc1OCC ZINC000179941949 822581931 /nfs/dbraw/zinc/58/19/31/822581931.db2.gz KNRYLSAPDLQWMM-MRXNPFEDSA-N 1 0 391.533 4.128 20 0 GIADRO O=C(NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)NC1CC[NH+](C2CCC2)CC1 ZINC000455057598 822582120 /nfs/dbraw/zinc/58/21/20/822582120.db2.gz MILJMTURLMDFCC-SCLBCKFNSA-N 1 0 396.362 4.413 20 0 GIADRO CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC3(CCCC3)Oc3ccccc32)cc1 ZINC000179947237 822583309 /nfs/dbraw/zinc/58/33/09/822583309.db2.gz UNWVKVYVQIKJAI-HXUWFJFHSA-N 1 0 385.529 4.406 20 0 GIADRO C[C@H](Nc1ccc(N2CCO[C@H](C)C2)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000179948663 822583859 /nfs/dbraw/zinc/58/38/59/822583859.db2.gz OWBGSRIDAONBKY-MOPGFXCFSA-N 1 0 383.536 4.025 20 0 GIADRO CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCSc3ccc(Cl)cc32)cc1 ZINC000179953273 822584836 /nfs/dbraw/zinc/58/48/36/822584836.db2.gz LXJDORGYHNTYEN-QGZVFWFLSA-N 1 0 381.950 4.460 20 0 GIADRO CCOc1cc(CNC(=O)Nc2cccc(C[NH+](C)C)c2)ccc1OC(F)F ZINC000047505551 822585127 /nfs/dbraw/zinc/58/51/27/822585127.db2.gz QILRGBCOQYVZDI-UHFFFAOYSA-N 1 0 393.434 4.070 20 0 GIADRO Cc1cnn(-c2ccc(N[C@@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)cc2F)c1 ZINC000179956951 822585470 /nfs/dbraw/zinc/58/54/70/822585470.db2.gz RBNIUAIKSXLHIW-LAUBAEHRSA-N 1 0 379.483 4.037 20 0 GIADRO Clc1ccccc1[C@H]([NH2+]CCCn1ccnc1)c1ccc2c(c1)OCCO2 ZINC000179963613 822586709 /nfs/dbraw/zinc/58/67/09/822586709.db2.gz IUJKCCGFLQAMAY-OAQYLSRUSA-N 1 0 383.879 4.077 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@@H]2CCCOc3cc(F)ccc32)cc(OC)c1OC ZINC000179965948 822586836 /nfs/dbraw/zinc/58/68/36/822586836.db2.gz PGALFSBOEBGKCO-SUMWQHHRSA-N 1 0 375.440 4.416 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)cc1 ZINC000047522522 822586950 /nfs/dbraw/zinc/58/69/50/822586950.db2.gz XHXHIXWGRYMPBD-MGPUTAFESA-N 1 0 395.478 4.265 20 0 GIADRO CC(C)[N@H+](Cc1ccc(NC(=O)NCC[C@H](C)F)cc1)C[C@@H]1CCCCO1 ZINC000455082966 822586931 /nfs/dbraw/zinc/58/69/31/822586931.db2.gz ZEWYQBGTGMJZBJ-PXNSSMCTSA-N 1 0 379.520 4.336 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)Nc1cnn(-c2ccccc2)c1C(F)(F)F ZINC000455093038 822587981 /nfs/dbraw/zinc/58/79/81/822587981.db2.gz DSWCNJSXSNYQLM-UHFFFAOYSA-N 1 0 397.445 4.133 20 0 GIADRO Cc1ncc([C@@H](C)[NH2+][C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)s1 ZINC000179972155 822588377 /nfs/dbraw/zinc/58/83/77/822588377.db2.gz ZQHWMXIYMPJQIT-WBMJQRKESA-N 1 0 397.466 4.312 20 0 GIADRO Cc1nn(C)c2nc(C)c(C(=O)Nc3ccc(C[N@H+]4CCCC[C@@H]4C)cc3)cc12 ZINC000047544989 822589203 /nfs/dbraw/zinc/58/92/03/822589203.db2.gz CRMVUGGFOWZURB-HNNXBMFYSA-N 1 0 391.519 4.212 20 0 GIADRO CCC(=O)Nc1ccc(NC(=O)N2CCC(C[NH+]3CCC(C)CC3)CC2)cc1 ZINC000047548774 822589628 /nfs/dbraw/zinc/58/96/28/822589628.db2.gz JROLIXGKDDRZFS-UHFFFAOYSA-N 1 0 386.540 4.011 20 0 GIADRO CC(C)c1csc([C@H]2CCCN(C(=O)NCCCCC[NH+]3CCCC3)C2)n1 ZINC000455111587 822590572 /nfs/dbraw/zinc/59/05/72/822590572.db2.gz HJYYTJUEIBTFKJ-SFHVURJKSA-N 1 0 392.613 4.422 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(Cn2cccn2)cc1)c1nc2ccc(Cl)cc2n1C ZINC000179990629 822591991 /nfs/dbraw/zinc/59/19/91/822591991.db2.gz ONZCGBFRMUNBDA-OAHLLOKOSA-N 1 0 379.895 4.322 20 0 GIADRO Cc1cccc(NC(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)c1F ZINC000179990770 822592005 /nfs/dbraw/zinc/59/20/05/822592005.db2.gz VYCNVACGAMUIQH-QGZVFWFLSA-N 1 0 385.483 4.156 20 0 GIADRO Brc1ccc([C@H]([NH2+]Cc2ccc(Cn3cncn3)cc2)C2CC2)cc1 ZINC000180000480 822593327 /nfs/dbraw/zinc/59/33/27/822593327.db2.gz FMRFKEBIBZZHDC-HXUWFJFHSA-N 1 0 397.320 4.330 20 0 GIADRO CCOc1cc(NC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)ccc1OC ZINC000047581975 822593312 /nfs/dbraw/zinc/59/33/12/822593312.db2.gz DMYAKJWZVCLXCZ-UHFFFAOYSA-N 1 0 397.519 4.142 20 0 GIADRO C[C@H]([NH2+]CCc1cnn(-c2ccccc2)c1)c1nc2ccc(Cl)cc2n1C ZINC000180004207 822594020 /nfs/dbraw/zinc/59/40/20/822594020.db2.gz HTYMOOIRLSWPNI-HNNXBMFYSA-N 1 0 379.895 4.306 20 0 GIADRO Cc1[nH]c2ccccc2c1C(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000047588567 822594621 /nfs/dbraw/zinc/59/46/21/822594621.db2.gz ZPYNDYCSEQWVMN-IAGOWNOFSA-N 1 0 391.515 4.016 20 0 GIADRO [NH3+]CC1(CC(=O)Nc2cccc(C[S@@](=O)Cc3ccccc3)c2)CCCCC1 ZINC000184199876 822594980 /nfs/dbraw/zinc/59/49/80/822594980.db2.gz HRFXPIRIBZLNBR-NDEPHWFRSA-N 1 0 398.572 4.373 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(Cn2ccnc2)c1)c1nc2ccc(Cl)cc2n1C ZINC000180008948 822595164 /nfs/dbraw/zinc/59/51/64/822595164.db2.gz MWUPNJWYMJIDGB-HNNXBMFYSA-N 1 0 379.895 4.322 20 0 GIADRO CC[C@H]1Oc2cc([C@H](C)[NH2+]CC(=O)Nc3ccccc3C(C)C)ccc2NC1=O ZINC000180009865 822595669 /nfs/dbraw/zinc/59/56/69/822595669.db2.gz ULGLEXJSFNQTIU-MGPUTAFESA-N 1 0 395.503 4.209 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2Cl)cc1OC ZINC000047608851 822596329 /nfs/dbraw/zinc/59/63/29/822596329.db2.gz GDKKGIZJPYUTTI-UONOGXRCSA-N 1 0 376.884 4.425 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(F)cc2F)cc1OC ZINC000047609149 822596465 /nfs/dbraw/zinc/59/64/65/822596465.db2.gz XAKZVEZAMLOFOJ-OLZOCXBDSA-N 1 0 378.419 4.050 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cc(F)ccc2F)cc1OC ZINC000047609074 822596531 /nfs/dbraw/zinc/59/65/31/822596531.db2.gz UEZFBDKWFRIYEF-STQMWFEESA-N 1 0 378.419 4.050 20 0 GIADRO COc1ccc(NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)cc1OC(C)C ZINC000184210421 822596707 /nfs/dbraw/zinc/59/67/07/822596707.db2.gz WNOQFNAVAAVFAS-QGZVFWFLSA-N 1 0 377.529 4.259 20 0 GIADRO CCOc1ccc(C(C)=O)cc1C[NH2+][C@@H](C)c1ccc2c(c1)O[C@@H](CC)C(=O)N2 ZINC000180015151 822597031 /nfs/dbraw/zinc/59/70/31/822597031.db2.gz POFHTFVYFDESJL-XOBRGWDASA-N 1 0 396.487 4.248 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCCc1c[nH]c2ccccc12 ZINC000047621280 822597593 /nfs/dbraw/zinc/59/75/93/822597593.db2.gz CATWNVRGLCEGDR-UHFFFAOYSA-N 1 0 378.520 4.050 20 0 GIADRO COc1cc(C)c(NC(=O)NC[C@@H](c2ccc(SC)cc2)[NH+](C)C)cc1F ZINC000455155835 822598508 /nfs/dbraw/zinc/59/85/08/822598508.db2.gz BMUYLXMHCFUIGU-SFHVURJKSA-N 1 0 391.512 4.289 20 0 GIADRO Cn1cc([C@H](NCc2ccc(C[NH+]3CCCCC3)cc2)c2cccc(F)c2)cn1 ZINC000180024352 822599174 /nfs/dbraw/zinc/59/91/74/822599174.db2.gz JOFDKTYUCZYXIF-XMMPIXPASA-N 1 0 392.522 4.424 20 0 GIADRO COCCOc1ccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1Cl ZINC000180028672 822600337 /nfs/dbraw/zinc/60/03/37/822600337.db2.gz DKRSCGFPGRXWHP-UHFFFAOYSA-N 1 0 399.922 4.313 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000180028353 822600438 /nfs/dbraw/zinc/60/04/38/822600438.db2.gz YXUXOPFZPYLQMW-RBUKOAKNSA-N 1 0 391.874 4.192 20 0 GIADRO CC(C)C(=O)Nc1ccc(C[NH2+][C@@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)cc1 ZINC000180030085 822600793 /nfs/dbraw/zinc/60/07/93/822600793.db2.gz YMUSKGAOLWTWBY-IEBWSBKVSA-N 1 0 389.540 4.064 20 0 GIADRO Cn1cc(C[N@H+](Cc2cccc(Br)c2)C2CC2)c(-c2cccnc2)n1 ZINC000180032029 822601283 /nfs/dbraw/zinc/60/12/83/822601283.db2.gz KOPBUACNLUNPJC-UHFFFAOYSA-N 1 0 397.320 4.409 20 0 GIADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cc(F)ccc2C)cc1 ZINC000180034126 822601585 /nfs/dbraw/zinc/60/15/85/822601585.db2.gz JQTYBAOWHDOPIZ-INIZCTEOSA-N 1 0 378.513 4.015 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(CN2CCCC2=O)cc1)c1nc2ccc(Cl)cc2n1C ZINC000180036697 822601975 /nfs/dbraw/zinc/60/19/75/822601975.db2.gz QKTJNNBVWOVSCU-HNNXBMFYSA-N 1 0 396.922 4.200 20 0 GIADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NCc2ccc(C(F)F)cc2)CC1 ZINC000184249849 822603034 /nfs/dbraw/zinc/60/30/34/822603034.db2.gz HRVIXMUEIHHBKN-OAHLLOKOSA-N 1 0 388.462 4.044 20 0 GIADRO COc1ccc([C@H]([NH2+]Cc2cccc(NC(=O)[C@@H]3CCCO3)c2)C(C)C)cc1 ZINC000180048990 822604145 /nfs/dbraw/zinc/60/41/45/822604145.db2.gz ZPFDSAVXVDNWNU-FCHUYYIVSA-N 1 0 382.504 4.300 20 0 GIADRO COc1cc2c(cc1C[NH2+][C@H](C)c1ccc(NC(=O)NC3CC3)cc1)O[C@H](C)C2 ZINC000047725822 822604253 /nfs/dbraw/zinc/60/42/53/822604253.db2.gz UCLOKURLRKMEPO-HUUCEWRRSA-N 1 0 395.503 4.153 20 0 GIADRO Cc1ccc([C@H]([NH2+]Cc2ccc(S(=O)(=O)N(C)C(C)C)cc2)C2CC2)cc1 ZINC000180049674 822604471 /nfs/dbraw/zinc/60/44/71/822604471.db2.gz BIYOGYTWSMXHBB-QFIPXVFZSA-N 1 0 386.561 4.265 20 0 GIADRO COc1ccc([C@@H]([NH2+]CC2(c3ccc4c(c3)OCO4)CCOCC2)C2CC2)cc1 ZINC000180051015 822604643 /nfs/dbraw/zinc/60/46/43/822604643.db2.gz TWDBRYPFPOCEPV-QHCPKHFHSA-N 1 0 395.499 4.213 20 0 GIADRO CCc1ccc([C@H](CNC(=O)Nc2ccc(OCCOC)cc2C)[NH+](C)C)cc1 ZINC000047760866 822606835 /nfs/dbraw/zinc/60/68/35/822606835.db2.gz IMEONLXVOOVTGT-QFIPXVFZSA-N 1 0 399.535 4.007 20 0 GIADRO O=C(C[NH+]1CCCCCCC1)Nc1ccc(NC(=O)N2CCCC3(CC3)C2)cc1 ZINC000184274558 822607158 /nfs/dbraw/zinc/60/71/58/822607158.db2.gz AKMDHKDFDAVVMZ-UHFFFAOYSA-N 1 0 398.551 4.299 20 0 GIADRO COCCOc1ccc(NC(=O)NCc2ccccc2C[N@H+](C)C(C)C)c(C)c1 ZINC000047762611 822607309 /nfs/dbraw/zinc/60/73/09/822607309.db2.gz ASDRRKMYKSNANR-UHFFFAOYSA-N 1 0 399.535 4.182 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Nc1nnc(-c2ccco2)s1)c1ccsc1 ZINC000047784896 822609116 /nfs/dbraw/zinc/60/91/16/822609116.db2.gz DXTVDMLIEQGKCW-CYBMUJFWSA-N 1 0 391.522 4.064 20 0 GIADRO CC(C)CC(=O)N1CCC([NH2+][C@H]2CCc3c2cccc3Br)CC1 ZINC000180070109 822609115 /nfs/dbraw/zinc/60/91/15/822609115.db2.gz OTZORKUNLDWJNN-SFHVURJKSA-N 1 0 379.342 4.063 20 0 GIADRO C[C@H]([NH2+][C@H](c1ccc(F)cc1)C1CCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000180071006 822609389 /nfs/dbraw/zinc/60/93/89/822609389.db2.gz NJNPGNBRTILWPH-XOBRGWDASA-N 1 0 376.497 4.055 20 0 GIADRO C[N@H+](CCCCNC(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F)C1CC1 ZINC000455211772 822609705 /nfs/dbraw/zinc/60/97/05/822609705.db2.gz SNYZHEXEQQFPIH-HNNXBMFYSA-N 1 0 377.838 4.117 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(NC(=O)c2cccnc2)cc1)c1nc2ccccc2n1C ZINC000180075578 822610350 /nfs/dbraw/zinc/61/03/50/822610350.db2.gz BHLSTYWRMWITPH-INIZCTEOSA-N 1 0 385.471 4.071 20 0 GIADRO CC(C)Cc1ccc([C@@H]([NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)C2CC2)cc1 ZINC000180080390 822611346 /nfs/dbraw/zinc/61/13/46/822611346.db2.gz QMDOKLWHMQEGOA-OPAMFIHVSA-N 1 0 386.561 4.334 20 0 GIADRO COc1ccccc1S(=O)(=O)CCC[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC000184308492 822612075 /nfs/dbraw/zinc/61/20/75/822612075.db2.gz UCQHQMSJOHRXNI-ZDUSSCGKSA-N 1 0 385.888 4.002 20 0 GIADRO Cc1ccccc1[C@H]([NH2+]CC(=O)Nc1cccc(C(=O)N(C)C)c1)C(C)(C)C ZINC000180087469 822612703 /nfs/dbraw/zinc/61/27/03/822612703.db2.gz AICVKCXZSHDFAJ-NRFANRHFSA-N 1 0 381.520 4.012 20 0 GIADRO COc1ccc(C[NH2+][C@H](C)c2ccc3c(c2)CCC(=O)N3)cc1Br ZINC000047827147 822613034 /nfs/dbraw/zinc/61/30/34/822613034.db2.gz HSNZMAWAWJXJMM-GFCCVEGCSA-N 1 0 389.293 4.193 20 0 GIADRO CC(C)Oc1cccc([C@H](C)NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)c1 ZINC000047832312 822613211 /nfs/dbraw/zinc/61/32/11/822613211.db2.gz MKSWWPXMMDRQQQ-YJBOKZPZSA-N 1 0 375.538 4.198 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(Br)cc1F)c1ccc2c(c1)CCC(=O)N2 ZINC000047828436 822613261 /nfs/dbraw/zinc/61/32/61/822613261.db2.gz TZOMAFRYXQWTES-NSHDSACASA-N 1 0 377.257 4.324 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CC2(C)CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000184316532 822613482 /nfs/dbraw/zinc/61/34/82/822613482.db2.gz IRQZQMFFQQXHGI-MRXNPFEDSA-N 1 0 389.540 4.333 20 0 GIADRO COc1cc([C@@H](C)[NH2+]Cc2cc(=O)oc3cc(O)ccc23)ccc1OCC(C)C ZINC000180092699 822613703 /nfs/dbraw/zinc/61/37/03/822613703.db2.gz WGNGVNDREINEMR-OAHLLOKOSA-N 1 0 397.471 4.393 20 0 GIADRO C[NH+](C)CCc1ccccc1NC(=O)N1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000455232734 822613772 /nfs/dbraw/zinc/61/37/72/822613772.db2.gz SMYYZNPVYOWTGF-LJQANCHMSA-N 1 0 387.911 4.129 20 0 GIADRO O=C(Nc1cc(F)c(N2CCCC2)c(F)c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000047862627 822614859 /nfs/dbraw/zinc/61/48/59/822614859.db2.gz MGKMDRIQPZCXPR-UHFFFAOYSA-N 1 0 392.494 4.047 20 0 GIADRO CCCc1cccc(C(C)C)c1NC(=O)NC(C)(C)CN1CC[NH+](CC)CC1 ZINC000455239462 822615243 /nfs/dbraw/zinc/61/52/43/822615243.db2.gz BFCJOKGKGMIYGE-UHFFFAOYSA-N 1 0 388.600 4.300 20 0 GIADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N[C@@H]1CCSc2ccccc21 ZINC000047868615 822615232 /nfs/dbraw/zinc/61/52/32/822615232.db2.gz UZNORQRCIBXOMR-SJORKVTESA-N 1 0 387.574 4.421 20 0 GIADRO C[C@H](NC(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1)c1ccccn1 ZINC000047888268 822616552 /nfs/dbraw/zinc/61/65/52/822616552.db2.gz NCKCERRXBYJUCW-QRVBRYPASA-N 1 0 380.536 4.120 20 0 GIADRO C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000184330740 822616582 /nfs/dbraw/zinc/61/65/82/822616582.db2.gz NIBDNHOWDHYHLU-DLBZAZTESA-N 1 0 378.944 4.320 20 0 GIADRO COc1ccc(OCc2nc(CNCC[C@H](C)[NH+]3CCCCC3)cs2)cc1 ZINC000184333914 822617286 /nfs/dbraw/zinc/61/72/86/822617286.db2.gz AQHUXAYQZFJRNB-KRWDZBQOSA-N 1 0 389.565 4.085 20 0 GIADRO Cc1c2ccccc2oc1[C@H]([NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1)C(C)C ZINC000180109646 822617330 /nfs/dbraw/zinc/61/73/30/822617330.db2.gz OHTRXYLCFYVDFO-FOIQADDNSA-N 1 0 386.517 4.437 20 0 GIADRO O=C(Nc1ccc(Cl)c(OC(F)F)c1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000180110267 822617468 /nfs/dbraw/zinc/61/74/68/822617468.db2.gz DJXSIAGDDFEPEK-UHFFFAOYSA-N 1 0 387.858 4.424 20 0 GIADRO CCC[C@@H]([NH2+][C@@H](C)c1cncc(C)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000184336661 822617955 /nfs/dbraw/zinc/61/79/55/822617955.db2.gz VYAKPAFRZGMIHL-PGRDOPGGSA-N 1 0 380.536 4.448 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)c2cc(-c3ccc(C)cc3)no2)CC1 ZINC000047903877 822618017 /nfs/dbraw/zinc/61/80/17/822618017.db2.gz CXDKOFRTQFFISR-UHFFFAOYSA-N 1 0 390.487 4.044 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)Nc1cccc(OC(F)F)c1 ZINC000047906203 822618330 /nfs/dbraw/zinc/61/83/30/822618330.db2.gz WCFSLBXOZIBYCY-MRXNPFEDSA-N 1 0 379.407 4.230 20 0 GIADRO COc1ccc(OCc2ccccn2)c(C[NH2+]C[C@@H](C)c2ncc(C)s2)c1 ZINC000184344241 822619175 /nfs/dbraw/zinc/61/91/75/822619175.db2.gz VCXADFTZRABJIE-OAHLLOKOSA-N 1 0 383.517 4.327 20 0 GIADRO COc1ccc(C[NH2+]C[C@H](C)c2ncc(C)s2)cc1OCc1cccnc1 ZINC000184348072 822619990 /nfs/dbraw/zinc/61/99/90/822619990.db2.gz PJAUARBWLXRZTP-HNNXBMFYSA-N 1 0 383.517 4.327 20 0 GIADRO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[NH2+][C@H](C)c1cc2ccccc2s1 ZINC000184356827 822621259 /nfs/dbraw/zinc/62/12/59/822621259.db2.gz AANGQZLGKOKHBM-KDOFPFPSSA-N 1 0 399.512 4.203 20 0 GIADRO FC(F)(F)c1cccc(-c2noc(CN3CCC(C[NH+]4CCCC4)CC3)n2)c1 ZINC000047970615 822623179 /nfs/dbraw/zinc/62/31/79/822623179.db2.gz KQDMUUQKDSDQBT-UHFFFAOYSA-N 1 0 394.441 4.063 20 0 GIADRO CC(C)[C@@H]([NH2+]Cc1cccc(OCC(N)=O)c1)c1ccc(Cl)c(Cl)c1 ZINC000180135678 822623569 /nfs/dbraw/zinc/62/35/69/822623569.db2.gz JHDFJNHDJFMVFG-LJQANCHMSA-N 1 0 381.303 4.344 20 0 GIADRO C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000184372127 822623760 /nfs/dbraw/zinc/62/37/60/822623760.db2.gz VDRSIMKIWLVSPA-OAHLLOKOSA-N 1 0 388.895 4.128 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2ncccc2C(F)(F)F)CC1 ZINC000180137103 822623888 /nfs/dbraw/zinc/62/38/88/822623888.db2.gz MFLBVUZQBSUGTA-AWEZNQCLSA-N 1 0 377.410 4.056 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1cccc(N2CCCC2=O)c1)c1cc2ccccc2s1 ZINC000184374410 822624091 /nfs/dbraw/zinc/62/40/91/822624091.db2.gz KTXFCWYOHJJRHP-HNNXBMFYSA-N 1 0 393.512 4.317 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1ccc(N2CCOCC2)cc1)c1cc2ccccc2s1 ZINC000184380480 822625119 /nfs/dbraw/zinc/62/51/19/822625119.db2.gz PRYZSDJASWRLGC-INIZCTEOSA-N 1 0 395.528 4.027 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)Nc2ccc(Cl)c(OC(F)F)c2)c1 ZINC000180148627 822626926 /nfs/dbraw/zinc/62/69/26/822626926.db2.gz IRIFZJGSBZNUIG-UHFFFAOYSA-N 1 0 383.826 4.325 20 0 GIADRO COc1ccc(NC(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCCC2)cc1 ZINC000048050953 822627051 /nfs/dbraw/zinc/62/70/51/822627051.db2.gz IMHITMLDHQPMKN-HXUWFJFHSA-N 1 0 383.492 4.053 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)CC1 ZINC000048056364 822627888 /nfs/dbraw/zinc/62/78/88/822627888.db2.gz SACXDEMXTVJCQL-UHFFFAOYSA-N 1 0 387.524 4.312 20 0 GIADRO O=C(COc1ccccc1C[N@H+]1CCC[C@@H]1c1cccc(F)c1)N1CCCC1 ZINC000180155280 822628663 /nfs/dbraw/zinc/62/86/63/822628663.db2.gz YAYREQSVLLGUEK-OAQYLSRUSA-N 1 0 382.479 4.164 20 0 GIADRO CCCCN(C(=O)c1ccc(-c2ncn(C)n2)cc1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000180160254 822629588 /nfs/dbraw/zinc/62/95/88/822629588.db2.gz ZTDOCYNYJUJEJZ-UHFFFAOYSA-N 1 0 397.567 4.034 20 0 GIADRO CC(C)c1nc2n(n1)CCC[C@H]2NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180162771 822630207 /nfs/dbraw/zinc/63/02/07/822630207.db2.gz QRSXYZNGLXPQRE-OTYNDTSQSA-N 1 0 379.552 4.022 20 0 GIADRO Cn1cc([C@H]([NH2+]C2CCN(Cc3ccc(F)cc3)CC2)c2cccc(F)c2)cn1 ZINC000180165915 822630759 /nfs/dbraw/zinc/63/07/59/822630759.db2.gz IRBMAJNNZWAJIB-HSZRJFAPSA-N 1 0 396.485 4.042 20 0 GIADRO CCCc1ccc(C(=O)CCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000048089450 822630900 /nfs/dbraw/zinc/63/09/00/822630900.db2.gz CGNRNTIZCUCICR-UHFFFAOYSA-N 1 0 392.543 4.383 20 0 GIADRO O=C(Cc1ccc(OC(F)(F)F)cc1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000048091014 822630993 /nfs/dbraw/zinc/63/09/93/822630993.db2.gz PEIQTELFZBGLDZ-INIZCTEOSA-N 1 0 398.450 4.143 20 0 GIADRO Clc1ccc(-n2cc(C[NH+]3CCC(OC[C@@H]4CCCCO4)CC3)cn2)cc1 ZINC000180169404 822631534 /nfs/dbraw/zinc/63/15/34/822631534.db2.gz XIKZTZXFOCEYCV-NRFANRHFSA-N 1 0 389.927 4.076 20 0 GIADRO Brc1cccc2c1CC[C@H]2[NH2+]CC1(N2CCCCC2)CCOCC1 ZINC000180172256 822632185 /nfs/dbraw/zinc/63/21/85/822632185.db2.gz BWEMPTSKZQWRBM-LJQANCHMSA-N 1 0 393.369 4.061 20 0 GIADRO FC(F)(F)CCN1CCC([NH2+]CCCO[C@H]2CCCc3ccccc32)CC1 ZINC000180173437 822632433 /nfs/dbraw/zinc/63/24/33/822632433.db2.gz KROHVEKMYYEWNQ-FQEVSTJZSA-N 1 0 384.486 4.477 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(C(=O)NC(C)C)cc1)c1ccccc1 ZINC000048105073 822633268 /nfs/dbraw/zinc/63/32/68/822633268.db2.gz JYTMDPQBBSZDIM-OAQYLSRUSA-N 1 0 396.535 4.029 20 0 GIADRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)C(C)(Cl)Cl)CC1 ZINC000180181855 822633994 /nfs/dbraw/zinc/63/39/94/822633994.db2.gz DGGVGLRNMZOBGF-UHFFFAOYSA-N 1 0 397.268 4.322 20 0 GIADRO C[C@H]([NH2+][C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C)c1ccc(S(N)(=O)=O)cc1 ZINC000180185090 822634877 /nfs/dbraw/zinc/63/48/77/822634877.db2.gz SLQRIBZGTXMXJZ-JSVGYJQLSA-N 1 0 378.925 4.035 20 0 GIADRO C[N@H+](Cc1ccccc1)C1(CNC(=O)N2CCC(OC(C)(C)C)CC2)CCC1 ZINC000455338524 822636693 /nfs/dbraw/zinc/63/66/93/822636693.db2.gz TVJCSLPJQVOYDF-UHFFFAOYSA-N 1 0 387.568 4.030 20 0 GIADRO CC[C@@H](c1ccncc1)N(C)C(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000455343292 822637522 /nfs/dbraw/zinc/63/75/22/822637522.db2.gz ZGCOHWJGVVXAGD-NRFANRHFSA-N 1 0 380.536 4.229 20 0 GIADRO CN(Cc1cc(F)c(F)c(F)c1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000180207782 822639574 /nfs/dbraw/zinc/63/95/74/822639574.db2.gz QHUKZMMPTKMAIE-UHFFFAOYSA-N 1 0 391.437 4.041 20 0 GIADRO O=C(CCc1ccc(Cl)cc1Cl)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180208700 822639793 /nfs/dbraw/zinc/63/97/93/822639793.db2.gz PMCDFDFGAVVAGE-UHFFFAOYSA-N 1 0 392.330 4.354 20 0 GIADRO Cn1cc([C@H]([NH2+]CC2(c3ccc(F)cc3)CCOCC2)c2cccc(F)c2)cn1 ZINC000180222047 822642230 /nfs/dbraw/zinc/64/22/30/822642230.db2.gz NLEYRNGLIPHVJA-JOCHJYFZSA-N 1 0 397.469 4.126 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1ccc(Br)cc1Cl)Cc1ccccc1 ZINC000048184192 822643058 /nfs/dbraw/zinc/64/30/58/822643058.db2.gz LOWXADAJEKTTMW-HNNXBMFYSA-N 1 0 395.728 4.005 20 0 GIADRO CCN(CC)c1ccc(C(=O)Nc2ccccc2NC2CC[NH+](C)CC2)cc1 ZINC000180228031 822643565 /nfs/dbraw/zinc/64/35/65/822643565.db2.gz HOQKRJQXJUKPJO-UHFFFAOYSA-N 1 0 380.536 4.291 20 0 GIADRO CC(C)c1ccccc1OCCC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180227757 822643580 /nfs/dbraw/zinc/64/35/80/822643580.db2.gz NSZVSNMDUIAYFK-UHFFFAOYSA-N 1 0 381.520 4.007 20 0 GIADRO CC(C)(C)OC(=O)NC1CCC([NH2+]C[C@H]2CCN(c3ccc(F)cc3)C2)CC1 ZINC000180228093 822643811 /nfs/dbraw/zinc/64/38/11/822643811.db2.gz JFCSNIMNFSVXHY-IPJUCJBFSA-N 1 0 391.531 4.078 20 0 GIADRO COc1ccc(NC(=O)[C@H]([NH2+]C[C@H](C)c2nccs2)c2ccccc2)cc1 ZINC000184489619 822644718 /nfs/dbraw/zinc/64/47/18/822644718.db2.gz XYQGJASNQYORMK-HNAYVOBHSA-N 1 0 381.501 4.225 20 0 GIADRO Cn1cc(C[NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)c(-c2ccccc2)n1 ZINC000180235397 822645474 /nfs/dbraw/zinc/64/54/74/822645474.db2.gz RZKNSFYQZZGZTE-UHFFFAOYSA-N 1 0 393.878 4.123 20 0 GIADRO Cn1cc([C@H]([NH2+]CCc2ccc(Br)s2)c2cccc(F)c2)cn1 ZINC000180236242 822645652 /nfs/dbraw/zinc/64/56/52/822645652.db2.gz KZBULBKZIGJJMQ-QGZVFWFLSA-N 1 0 394.313 4.305 20 0 GIADRO Cc1c(Cl)c(C[NH+]2CCC(C(=O)N3CCCCC3)CC2)nc2ccccc12 ZINC000048216067 822645925 /nfs/dbraw/zinc/64/59/25/822645925.db2.gz WUYPVDNGXAEVNA-UHFFFAOYSA-N 1 0 385.939 4.421 20 0 GIADRO Cc1ccc(NC(=O)C(C)C)cc1NC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000048255062 822648704 /nfs/dbraw/zinc/64/87/04/822648704.db2.gz KDQBPLKCBDJNCT-UHFFFAOYSA-N 1 0 388.556 4.223 20 0 GIADRO Cc1ccc(N2CCC[C@H]([NH2+]Cc3cn(C)nc3-c3ccc(C#N)cc3)C2)cc1 ZINC000180254948 822648986 /nfs/dbraw/zinc/64/89/86/822648986.db2.gz KVDRVMMUEXZXSV-QFIPXVFZSA-N 1 0 385.515 4.026 20 0 GIADRO CCC(=O)Nc1ccc(C)c(NC(=O)NCc2ccccc2C[NH+]2CCCC2)c1 ZINC000048257938 822649462 /nfs/dbraw/zinc/64/94/62/822649462.db2.gz UFQCBSDRSLPYAS-UHFFFAOYSA-N 1 0 394.519 4.261 20 0 GIADRO O=C(c1ccc(SCc2ccccc2)cc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000048269896 822650302 /nfs/dbraw/zinc/65/03/02/822650302.db2.gz RSXURJZSONLOLY-UHFFFAOYSA-N 1 0 389.524 4.336 20 0 GIADRO O=C(CCCCC(=O)c1ccccc1)NCc1ccccc1C[NH+]1CCCC1 ZINC000048276641 822650969 /nfs/dbraw/zinc/65/09/69/822650969.db2.gz AAUCLICKPGQTRA-UHFFFAOYSA-N 1 0 378.516 4.342 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)Nc2ncn(C3CCCCC3)n2)CC1 ZINC000184531020 822652115 /nfs/dbraw/zinc/65/21/15/822652115.db2.gz MCDVQTVUIOZNCK-KRWDZBQOSA-N 1 0 396.539 4.130 20 0 GIADRO COc1ccc(NC(=O)CC[NH2+][C@@H](C)c2nc(-c3ccccc3)cs2)cc1 ZINC000184535466 822652901 /nfs/dbraw/zinc/65/29/01/822652901.db2.gz HYGKIUAFDYNIEU-HNNXBMFYSA-N 1 0 381.501 4.498 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CSCc2ccncc2)cc1 ZINC000048323294 822653613 /nfs/dbraw/zinc/65/36/13/822653613.db2.gz DBQKSJJVSFAXLR-GOSISDBHSA-N 1 0 383.561 4.006 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CSCc1ccccn1 ZINC000048323547 822653874 /nfs/dbraw/zinc/65/38/74/822653874.db2.gz WOVDWLMGUIDIQL-SFHVURJKSA-N 1 0 383.561 4.006 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CSCc1ccccn1 ZINC000048323546 822653906 /nfs/dbraw/zinc/65/39/06/822653906.db2.gz WOVDWLMGUIDIQL-GOSISDBHSA-N 1 0 383.561 4.006 20 0 GIADRO CC[NH+]1CCN([C@@H](C)CNc2nc(C)nc3scc(-c4ccccc4)c32)CC1 ZINC000048345076 822654829 /nfs/dbraw/zinc/65/48/29/822654829.db2.gz DHYZOJJKBRLQJF-INIZCTEOSA-N 1 0 395.576 4.105 20 0 GIADRO CC[NH+]1CCN([C@H](C)CNc2nc(C)nc3scc(-c4ccccc4)c32)CC1 ZINC000048345078 822654849 /nfs/dbraw/zinc/65/48/49/822654849.db2.gz DHYZOJJKBRLQJF-MRXNPFEDSA-N 1 0 395.576 4.105 20 0 GIADRO Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)N[C@@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000184559098 822657381 /nfs/dbraw/zinc/65/73/81/822657381.db2.gz WKULXGMSBTYBHJ-LEWJYISDSA-N 1 0 397.567 4.030 20 0 GIADRO Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000180294671 822658007 /nfs/dbraw/zinc/65/80/07/822658007.db2.gz KBMDXQLNHGFGSC-RBUKOAKNSA-N 1 0 399.539 4.083 20 0 GIADRO CCC(CC)[C@H]1C[C@H](NC(=O)NCc2ccccc2C[NH+]2CCCC2)CCO1 ZINC000180300294 822659396 /nfs/dbraw/zinc/65/93/96/822659396.db2.gz VEEBDCMZSLYZDR-FGZHOGPDSA-N 1 0 387.568 4.065 20 0 GIADRO O=C(c1cc2cc(F)ccc2s1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000180307271 822660959 /nfs/dbraw/zinc/66/09/59/822660959.db2.gz NOEYFNROVZCBBG-UHFFFAOYSA-N 1 0 390.524 4.005 20 0 GIADRO CC(C)(C)OC(=O)Nc1cccc(CC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000180308340 822661167 /nfs/dbraw/zinc/66/11/67/822661167.db2.gz BNFIQOIENVGQMF-UHFFFAOYSA-N 1 0 389.540 4.002 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)Nc2cc(Br)c(C)cc2OC)CC1 ZINC000184582723 822661395 /nfs/dbraw/zinc/66/13/95/822661395.db2.gz JMDLBNJBVGJJCK-UHFFFAOYSA-N 1 0 398.345 4.104 20 0 GIADRO Cc1ccccc1C(NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1C ZINC000455473571 822661443 /nfs/dbraw/zinc/66/14/43/822661443.db2.gz KTCCTZJINXGLHW-IHWFROFDSA-N 1 0 377.532 4.317 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(F)cc1Br)c1ccsc1 ZINC000048451746 822663215 /nfs/dbraw/zinc/66/32/15/822663215.db2.gz QIQUNWPAHOTJJO-AWEZNQCLSA-N 1 0 386.290 4.074 20 0 GIADRO Cc1c(NC(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)cccc1-c1ncco1 ZINC000455483844 822663315 /nfs/dbraw/zinc/66/33/15/822663315.db2.gz HEGHVCVLRRRWQK-UZLBHIALSA-N 1 0 378.476 4.463 20 0 GIADRO COc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccc(OC(C)C)cc3)CC2)cc1 ZINC000048459574 822664009 /nfs/dbraw/zinc/66/40/09/822664009.db2.gz LBDXYVBFDXYELK-UHFFFAOYSA-N 1 0 397.519 4.222 20 0 GIADRO CSCC[C@@H]([NH2+]CCOc1cccc2ccccc21)c1nnc2ccccn21 ZINC000184606673 822664920 /nfs/dbraw/zinc/66/49/20/822664920.db2.gz DUDRGFKWECIQFP-LJQANCHMSA-N 1 0 392.528 4.345 20 0 GIADRO Cc1cc(Br)cc(C)c1NC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000048465320 822664939 /nfs/dbraw/zinc/66/49/39/822664939.db2.gz VSWQIZUGOJKPRD-UHFFFAOYSA-N 1 0 382.346 4.308 20 0 GIADRO C[C@@H](CNC(=O)Nc1cccc(NC(=O)c2ccccc2)c1)[N@@H+]1CCCC[C@H]1C ZINC000048480197 822666480 /nfs/dbraw/zinc/66/64/80/822666480.db2.gz PEAAZDZFWAZJGT-MSOLQXFVSA-N 1 0 394.519 4.323 20 0 GIADRO C[C@H](NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1cc2ccccc2o1 ZINC000180342399 822666729 /nfs/dbraw/zinc/66/67/29/822666729.db2.gz QZDFYGWMQWDMLT-INIZCTEOSA-N 1 0 378.476 4.105 20 0 GIADRO COc1cc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)ccc1OC(C)C ZINC000184621358 822666909 /nfs/dbraw/zinc/66/69/09/822666909.db2.gz UBGHGVZWQBBHQC-UHFFFAOYSA-N 1 0 379.504 4.431 20 0 GIADRO CCCN(Cc1c(F)cccc1Cl)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000455503928 822667268 /nfs/dbraw/zinc/66/72/68/822667268.db2.gz PSWHBJVIKWCUDK-UHFFFAOYSA-N 1 0 381.923 4.418 20 0 GIADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000455504212 822667445 /nfs/dbraw/zinc/66/74/45/822667445.db2.gz QDIMXIZEDKOLFU-DLBZAZTESA-N 1 0 392.330 4.082 20 0 GIADRO CC[C@@H](C)[NH2+][C@H](CNC(=O)Nc1cccc(-c2ncco2)c1C)c1ccco1 ZINC000455504423 822667460 /nfs/dbraw/zinc/66/74/60/822667460.db2.gz IEWHUOAQDXMKPE-RDTXWAMCSA-N 1 0 382.464 4.494 20 0 GIADRO COc1cc([C@H](C)[NH2+]CCn2c(C)csc2=O)ccc1OCCC(C)C ZINC000180352833 822668569 /nfs/dbraw/zinc/66/85/69/822668569.db2.gz GSOWIXMSAGYCGJ-INIZCTEOSA-N 1 0 378.538 4.003 20 0 GIADRO COC1CC[NH+](C(C)(C)CNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000455510211 822668628 /nfs/dbraw/zinc/66/86/28/822668628.db2.gz AJUMZBSWWWRMIZ-JKSUJKDBSA-N 1 0 399.362 4.103 20 0 GIADRO COc1cc([C@H](C)[NH2+]C2(c3ccc(Cl)cc3)CCC2)ccc1S(C)(=O)=O ZINC000180354038 822668969 /nfs/dbraw/zinc/66/89/69/822668969.db2.gz AWZIQQFOSWTOQU-AWEZNQCLSA-N 1 0 393.936 4.482 20 0 GIADRO Clc1cccc(Oc2ccccc2)c1C[NH2+]C[C@@H]1COC2(CCOCC2)O1 ZINC000180361495 822670483 /nfs/dbraw/zinc/67/04/83/822670483.db2.gz UEGCDQADMJHUHP-QGZVFWFLSA-N 1 0 389.879 4.144 20 0 GIADRO CC1(C)Oc2ccc(NC(=O)NC[C@@H](c3cccs3)[NH+]3CCCC3)cc2O1 ZINC000048542511 822670970 /nfs/dbraw/zinc/67/09/70/822670970.db2.gz AGFOFOVWYIMMSU-HNNXBMFYSA-N 1 0 387.505 4.214 20 0 GIADRO CC[N@@H+](Cc1c(C2CC2)nc2sccn12)CC1CCN(c2ccccn2)CC1 ZINC000180367520 822671010 /nfs/dbraw/zinc/67/10/10/822671010.db2.gz HKQWYWQUROURAJ-UHFFFAOYSA-N 1 0 395.576 4.407 20 0 GIADRO COc1ccc([C@@H](C)[C@@H](C)Nc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)cc1 ZINC000184653433 822671135 /nfs/dbraw/zinc/67/11/35/822671135.db2.gz NNTLIUICBNKTLM-ZWKOTPCHSA-N 1 0 383.536 4.498 20 0 GIADRO COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H](c2ccc(OC)c(OC)c2)N(C)C)cc1 ZINC000180378775 822672641 /nfs/dbraw/zinc/67/26/41/822672641.db2.gz OHAYQMWQWMFFFP-LZJOCLMNSA-N 1 0 386.536 4.097 20 0 GIADRO COc1ccc([C@@H](C[NH2+][C@@H]2CCSc3c(F)cccc32)N(C)C)cc1OC ZINC000180378704 822672665 /nfs/dbraw/zinc/67/26/65/822672665.db2.gz ZDPDUASHOLGGMC-QZTJIDSGSA-N 1 0 390.524 4.272 20 0 GIADRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc3cc(Br)ccc3[nH]2)c1 ZINC000184675533 822674539 /nfs/dbraw/zinc/67/45/39/822674539.db2.gz ZWLHYNZPQULCCF-NSHDSACASA-N 1 0 375.266 4.495 20 0 GIADRO COc1cc(NC(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc(OC)c1C ZINC000455564856 822675354 /nfs/dbraw/zinc/67/53/54/822675354.db2.gz JFXVOJKFENQFPM-PKOBYXMFSA-N 1 0 397.519 4.044 20 0 GIADRO COc1cc(NC(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc(OC)c1C ZINC000455564847 822675427 /nfs/dbraw/zinc/67/54/27/822675427.db2.gz JFXVOJKFENQFPM-HKUYNNGSSA-N 1 0 397.519 4.044 20 0 GIADRO Cc1cc(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)nn1-c1ccc(F)cc1 ZINC000180409589 822676785 /nfs/dbraw/zinc/67/67/85/822676785.db2.gz QNQZBCDLONFBGB-HKUYNNGSSA-N 1 0 398.526 4.046 20 0 GIADRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](c1ccccc1)c1ccccc1Br)CC2 ZINC000180409837 822676806 /nfs/dbraw/zinc/67/68/06/822676806.db2.gz GEROCKSJXYIPAM-OXQOHEQNSA-N 1 0 397.320 4.043 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)N[C@@H](c1ccccc1)C(F)F ZINC000455579083 822677818 /nfs/dbraw/zinc/67/78/18/822677818.db2.gz ANCJAZQGQOAPGY-SFHVURJKSA-N 1 0 397.416 4.044 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N(C)Cc2cc(F)c(F)c(F)c2)C1 ZINC000180417373 822678102 /nfs/dbraw/zinc/67/81/02/822678102.db2.gz FHDOEMOHYDZFRX-GASCZTMLSA-N 1 0 385.474 4.003 20 0 GIADRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N(C)Cc2cc(F)c(F)c(F)c2)C1 ZINC000180417393 822678111 /nfs/dbraw/zinc/67/81/11/822678111.db2.gz FHDOEMOHYDZFRX-GJZGRUSLSA-N 1 0 385.474 4.003 20 0 GIADRO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000048711611 822679157 /nfs/dbraw/zinc/67/91/57/822679157.db2.gz NICZHHSPPGCGGH-SFHVURJKSA-N 1 0 396.485 4.383 20 0 GIADRO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000048711234 822679167 /nfs/dbraw/zinc/67/91/67/822679167.db2.gz VEOOFLZOYNCPLM-UHFFFAOYSA-N 1 0 397.473 4.052 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)CCc1ccc(F)cc1F ZINC000180423581 822679295 /nfs/dbraw/zinc/67/92/95/822679295.db2.gz DEQMCBCAMKAITA-UHFFFAOYSA-N 1 0 387.474 4.058 20 0 GIADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]Cc1ccc(C)nc1 ZINC000048715349 822679640 /nfs/dbraw/zinc/67/96/40/822679640.db2.gz JZLKDIQKSUMMFK-UHFFFAOYSA-N 1 0 385.309 4.245 20 0 GIADRO COc1cc(Cl)cc(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)c1O ZINC000184706332 822679716 /nfs/dbraw/zinc/67/97/16/822679716.db2.gz LYCDHPMDKISRGN-LJQANCHMSA-N 1 0 375.852 4.066 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H]1SCCc2ccccc21 ZINC000180428794 822680107 /nfs/dbraw/zinc/68/01/07/822680107.db2.gz OTJYMJSFVSCGMV-QFIPXVFZSA-N 1 0 395.572 4.177 20 0 GIADRO Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)[NH2+]CCn1cccn1 ZINC000180428762 822680142 /nfs/dbraw/zinc/68/01/42/822680142.db2.gz IQTHTKGQLHQMQQ-LBPRGKRZSA-N 1 0 391.338 4.428 20 0 GIADRO C[C@@H]1C[C@H](CCNC(=O)NCCC2CC(F)(F)C2)C[N@@H+]1Cc1ccccc1 ZINC000455593281 822680481 /nfs/dbraw/zinc/68/04/81/822680481.db2.gz HCZDJULLVAHPIR-AEFFLSMTSA-N 1 0 379.495 4.022 20 0 GIADRO Cc1scc(C(=O)Nc2ccnn2[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1C ZINC000180432231 822680754 /nfs/dbraw/zinc/68/07/54/822680754.db2.gz VLLJSGHGFRKFDZ-GOSISDBHSA-N 1 0 380.517 4.261 20 0 GIADRO CC(C)Oc1ccc(C[NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)cc1 ZINC000048748518 822681186 /nfs/dbraw/zinc/68/11/86/822681186.db2.gz VHHLYTJIFQZTMJ-UHFFFAOYSA-N 1 0 378.472 4.287 20 0 GIADRO COc1ccc([C@H](C)CC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000180436979 822681798 /nfs/dbraw/zinc/68/17/98/822681798.db2.gz YGHLNIUITFWNCM-LJQANCHMSA-N 1 0 395.547 4.349 20 0 GIADRO C[C@@H](CN[C@@H](c1ccc(F)cc1)c1ccccc1Cl)C[NH+]1CCN(C)CC1 ZINC000180438187 822681901 /nfs/dbraw/zinc/68/19/01/822681901.db2.gz OOOSFXLXHTUYNT-JTSKRJEESA-N 1 0 389.946 4.042 20 0 GIADRO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCc2cnn(C)c2)c(C)c1 ZINC000048784616 822683088 /nfs/dbraw/zinc/68/30/88/822683088.db2.gz NMKBLUZPEUYTQJ-UHFFFAOYSA-N 1 0 385.515 4.222 20 0 GIADRO O=C(c1ccncc1)N1CCC([NH2+]Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000048785279 822683097 /nfs/dbraw/zinc/68/30/97/822683097.db2.gz RBCMVGHLFWZXRD-UHFFFAOYSA-N 1 0 387.483 4.268 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1cnc2ccc(F)cc2c1 ZINC000180444468 822683157 /nfs/dbraw/zinc/68/31/57/822683157.db2.gz GEYWFMLDTKOFKT-UHFFFAOYSA-N 1 0 392.478 4.148 20 0 GIADRO CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000048787400 822683267 /nfs/dbraw/zinc/68/32/67/822683267.db2.gz IYUQHPGFLSGQMJ-QZTJIDSGSA-N 1 0 396.535 4.029 20 0 GIADRO CC(=O)Nc1cccc(OCC[NH2+][C@@H](C)c2cc(C)ccc2OC(F)F)c1 ZINC000180447303 822683825 /nfs/dbraw/zinc/68/38/25/822683825.db2.gz NMPNHXUCFXEFCX-AWEZNQCLSA-N 1 0 378.419 4.284 20 0 GIADRO CC(=O)Nc1cccc(OCC[NH2+][C@H](C)c2cnn(-c3ccc(F)cc3)c2C)c1 ZINC000180448286 822684012 /nfs/dbraw/zinc/68/40/12/822684012.db2.gz DPSJRVUTWUHXGK-OAHLLOKOSA-N 1 0 396.466 4.008 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)N[C@H](c2ccccc2)C(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000455610249 822684065 /nfs/dbraw/zinc/68/40/65/822684065.db2.gz BFSIJFGBMQPLBC-LSTHTHJFSA-N 1 0 387.474 4.345 20 0 GIADRO C[N@H+](CCCCNC(=O)N1CC[C@H](Sc2cccc(Cl)c2)C1)C1CC1 ZINC000455611288 822684253 /nfs/dbraw/zinc/68/42/53/822684253.db2.gz LOVTTXPFXORJGB-SFHVURJKSA-N 1 0 381.973 4.090 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)Cc1c(F)cccc1Cl ZINC000180452431 822684855 /nfs/dbraw/zinc/68/48/55/822684855.db2.gz XYBGOGLECDPPPT-UHFFFAOYSA-N 1 0 389.902 4.182 20 0 GIADRO O=C(Nc1cccc(C2CC2)n1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000455616263 822684962 /nfs/dbraw/zinc/68/49/62/822684962.db2.gz ISTSPNPLNGXPPK-DEOSSOPVSA-N 1 0 390.531 4.479 20 0 GIADRO c1csc(-c2nn(-c3ccccc3)cc2CN2CCS[C@H]3COCC[C@@H]32)c1 ZINC000180457967 822685874 /nfs/dbraw/zinc/68/58/74/822685874.db2.gz BFSHBHMPVUUTDW-ICSRJNTNSA-N 1 0 397.569 4.307 20 0 GIADRO O=C(Nc1cc(Cl)ccc1OC(F)(F)F)N1CCC([NH+]2CC=CC2)CC1 ZINC000455632046 822686991 /nfs/dbraw/zinc/68/69/91/822686991.db2.gz ATFHHOZRNZTIMG-UHFFFAOYSA-N 1 0 389.805 4.107 20 0 GIADRO CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H](c1nccs1)C(F)(F)F ZINC000455638654 822688722 /nfs/dbraw/zinc/68/87/22/822688722.db2.gz NVMLBDLHUDIFOA-AWEZNQCLSA-N 1 0 392.491 4.044 20 0 GIADRO C[C@H](c1ccc(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)cc1)C(F)(F)F ZINC000455640802 822689299 /nfs/dbraw/zinc/68/92/99/822689299.db2.gz WYSRJOOBENZOSM-MRXNPFEDSA-N 1 0 398.469 4.117 20 0 GIADRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CC(=O)N(C)c3ccccc3)s2)cc1 ZINC000184788735 822691138 /nfs/dbraw/zinc/69/11/38/822691138.db2.gz SVFCHIWCOLUZMA-OAHLLOKOSA-N 1 0 395.528 4.441 20 0 GIADRO O=C(c1cc(Br)ccc1Cl)N1CCC(C[NH+]2CCCC2)CC1 ZINC000049073587 822692243 /nfs/dbraw/zinc/69/22/43/822692243.db2.gz SPRLVDBSJDVVOH-UHFFFAOYSA-N 1 0 385.733 4.051 20 0 GIADRO CC[NH+](CC)CC1CCN(C(=O)c2sc(-c3cccs3)nc2C)CC1 ZINC000049076309 822692453 /nfs/dbraw/zinc/69/24/53/822692453.db2.gz HTRFOGLWLHLDHC-UHFFFAOYSA-N 1 0 377.579 4.374 20 0 GIADRO C[C@@H](NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)c1nc2ccccc2n1C ZINC000184798904 822692507 /nfs/dbraw/zinc/69/25/07/822692507.db2.gz FROSHVVHMXXQGK-GOSISDBHSA-N 1 0 390.531 4.053 20 0 GIADRO COc1ccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cccs2)c(OC(F)F)c1 ZINC000180504954 822692639 /nfs/dbraw/zinc/69/26/39/822692639.db2.gz JXPZEBYBQLGJNA-HOCLYGCPSA-N 1 0 383.460 4.446 20 0 GIADRO O=C(c1ccccc1Cl)N1CCC([NH2+]Cc2cccc(OC(F)F)c2)CC1 ZINC000180505586 822692805 /nfs/dbraw/zinc/69/28/05/822692805.db2.gz VFUNHBPVBZKFFX-UHFFFAOYSA-N 1 0 394.849 4.336 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)Nc2ccc([C@H]3CCOC3)cc2)[NH+]2CCCC2)o1 ZINC000455657626 822692956 /nfs/dbraw/zinc/69/29/56/822692956.db2.gz DKHIWQRKDOHPEH-AZUAARDMSA-N 1 0 383.492 4.051 20 0 GIADRO C[C@H]1CN(C(=O)Nc2ccc([C@@H]3CCOC3)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000455657782 822693213 /nfs/dbraw/zinc/69/32/13/822693213.db2.gz DGMUZWSTOONMNB-DENIHFKCSA-N 1 0 393.531 4.176 20 0 GIADRO Cc1cc(Br)c(F)cc1NC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000184814969 822694827 /nfs/dbraw/zinc/69/48/27/822694827.db2.gz JMHUDTMBNORUEC-UHFFFAOYSA-N 1 0 386.309 4.139 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@@H](C)c2cc3ccccc3o2)c1 ZINC000049204251 822695171 /nfs/dbraw/zinc/69/51/71/822695171.db2.gz SWCYKKSYOAAASS-INIZCTEOSA-N 1 0 393.487 4.091 20 0 GIADRO CN(Cc1cc(F)c(F)c(F)c1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000180521392 822695453 /nfs/dbraw/zinc/69/54/53/822695453.db2.gz WSPAOFUODFUSHA-UHFFFAOYSA-N 1 0 383.458 4.042 20 0 GIADRO C[C@@H](N[C@@H](C)C(=O)N1CCc2ccccc2C1)c1nc(-c2ccccc2)cs1 ZINC000180525092 822696081 /nfs/dbraw/zinc/69/60/81/822696081.db2.gz ANCQKKZDWKPNAQ-SJORKVTESA-N 1 0 391.540 4.434 20 0 GIADRO O=C(Nc1ccc(C2CCC2)cn1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000455672822 822697005 /nfs/dbraw/zinc/69/70/05/822697005.db2.gz FMOLKUKNWYQAKF-VXKWHMMOSA-N 1 0 390.531 4.335 20 0 GIADRO Cc1cc(C(=O)Nc2cc(C[NH+](C)C)ccc2C)nn1-c1cccc(Cl)c1 ZINC000180530412 822697117 /nfs/dbraw/zinc/69/71/17/822697117.db2.gz JVEQIEONUZQSSJ-UHFFFAOYSA-N 1 0 382.895 4.456 20 0 GIADRO Cc1noc(C)c1[C@@H](C)CC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000184834143 822697413 /nfs/dbraw/zinc/69/74/13/822697413.db2.gz OAPFJEFPSHYSHL-YVEFUNNKSA-N 1 0 397.441 4.223 20 0 GIADRO Cc1c2ccccc2oc1[C@H](NC(=O)Nc1ccnn1CC[NH+](C)C)C(C)C ZINC000455674029 822697433 /nfs/dbraw/zinc/69/74/33/822697433.db2.gz ZSCHEVMKTJGNCE-LJQANCHMSA-N 1 0 383.496 4.018 20 0 GIADRO Cc1cccc(CN(CC[NH+](C)C)C(=O)Nc2ccc([C@H]3CCOC3)cc2)c1 ZINC000455674694 822697652 /nfs/dbraw/zinc/69/76/52/822697652.db2.gz PRRRDHLAFOOQIO-NRFANRHFSA-N 1 0 381.520 4.095 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)Nc1ccc([C@H]2CCOC2)cc1 ZINC000455677431 822698293 /nfs/dbraw/zinc/69/82/93/822698293.db2.gz VHAFPEKQNSQENA-ICSRJNTNSA-N 1 0 383.492 4.132 20 0 GIADRO C[NH+](C)C1(CN[C@H](c2ccc(F)cc2)c2ccccc2Cl)CCOCC1 ZINC000180542723 822699035 /nfs/dbraw/zinc/69/90/35/822699035.db2.gz ZYAMXMOXLLPFLB-HXUWFJFHSA-N 1 0 376.903 4.269 20 0 GIADRO COCC[C@@](C)(O)C[NH2+][C@@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC000180557835 822702090 /nfs/dbraw/zinc/70/20/90/822702090.db2.gz VKAVZYYIXYFUMV-RTBURBONSA-N 1 0 396.300 4.055 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(N[C@H](c2cnn(C)c2)c2cccc(F)c2)CC1 ZINC000180559424 822702299 /nfs/dbraw/zinc/70/22/99/822702299.db2.gz DWANMPPZUXQYIL-UUOWRZLLSA-N 1 0 392.522 4.464 20 0 GIADRO C[C@H](NC(=O)c1ccc(Br)cc1C(F)(F)F)C(C)(C)C[NH+](C)C ZINC000180592140 822707381 /nfs/dbraw/zinc/70/73/81/822707381.db2.gz MPHKHYLTBOEEIC-JTQLQIEISA-N 1 0 395.263 4.174 20 0 GIADRO CC[C@@H]1Cc2ccccc2CN1C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1 ZINC000184889028 822707832 /nfs/dbraw/zinc/70/78/32/822707832.db2.gz ANDDXARJFYDHCG-JOCHJYFZSA-N 1 0 392.547 4.197 20 0 GIADRO CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc(C(F)(F)F)cs1 ZINC000180597879 822708268 /nfs/dbraw/zinc/70/82/68/822708268.db2.gz LGGQSEGELCEMJA-RYUDHWBXSA-N 1 0 393.475 4.335 20 0 GIADRO Cc1ccc([C@H](CNC(=O)Nc2cn(C)nc2C2CCCCC2)[NH+]2CCCC2)o1 ZINC000455706337 822708336 /nfs/dbraw/zinc/70/83/36/822708336.db2.gz CURIWWYDNLBKOU-IBGZPJMESA-N 1 0 399.539 4.328 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1cn(C)nc1C1CCCCC1 ZINC000455708879 822709205 /nfs/dbraw/zinc/70/92/05/822709205.db2.gz GRPHAEZVXATWTH-QGZVFWFLSA-N 1 0 375.561 4.244 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)N(Cc1ccc(C)o1)C1CC1)[NH+]1CCCC1 ZINC000049790204 822709490 /nfs/dbraw/zinc/70/94/90/822709490.db2.gz YRYWLEXJQULHNI-NRFANRHFSA-N 1 0 397.519 4.108 20 0 GIADRO CCCC[C@@H]([NH2+]Cc1nnc(C(=O)Nc2ccc(OC)cc2)s1)C1CCC1 ZINC000184908012 822711408 /nfs/dbraw/zinc/71/14/08/822711408.db2.gz GGKRHZVMHNHIFP-QGZVFWFLSA-N 1 0 388.537 4.248 20 0 GIADRO CN(C(=O)Nc1ccccc1OCCF)C1CC[NH+](Cc2ccccc2)CC1 ZINC000455716147 822711472 /nfs/dbraw/zinc/71/14/72/822711472.db2.gz NDRWTJLGRRUEPD-UHFFFAOYSA-N 1 0 385.483 4.163 20 0 GIADRO CCOc1cc(C[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)ccc1OCC(F)(F)F ZINC000180611174 822712085 /nfs/dbraw/zinc/71/20/85/822712085.db2.gz MSULCOBXJIEGGQ-NVXWUHKLSA-N 1 0 397.441 4.306 20 0 GIADRO O=C(CN1CC[NH+](CC2CCCCC2)CC1)Nc1cccc(Cl)c1Cl ZINC000049981762 822713181 /nfs/dbraw/zinc/71/31/81/822713181.db2.gz CHTWCDWZWNWUPW-UHFFFAOYSA-N 1 0 384.351 4.130 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)c1ccc(C(F)(F)F)cc1 ZINC000184920705 822713330 /nfs/dbraw/zinc/71/33/30/822713330.db2.gz VQYIDQNYYDLLCI-CQSZACIVSA-N 1 0 398.450 4.096 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)c1ccc2ccccc2c1 ZINC000184921612 822713360 /nfs/dbraw/zinc/71/33/60/822713360.db2.gz ZGZDQHYIIKOTPP-QGZVFWFLSA-N 1 0 380.513 4.231 20 0 GIADRO Cc1cc(C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)ccc1-n1cncn1 ZINC000180618898 822713875 /nfs/dbraw/zinc/71/38/75/822713875.db2.gz VWZRXIQDDQSOIE-CTNGQTDRSA-N 1 0 380.492 4.037 20 0 GIADRO O=C(c1ccc(COc2ccc(F)cc2)o1)N1CCC([NH+]2CCCCC2)CC1 ZINC000050009330 822713929 /nfs/dbraw/zinc/71/39/29/822713929.db2.gz DUZKGBRAMGBOBV-UHFFFAOYSA-N 1 0 386.467 4.088 20 0 GIADRO COc1cc(OC)c(OC)cc1C[N@@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000180620303 822714136 /nfs/dbraw/zinc/71/41/36/822714136.db2.gz ARHUXKXBDFCQCG-ROUUACIJSA-N 1 0 389.492 4.174 20 0 GIADRO C[C@H]1C[C@H](NC(=O)Nc2ccccc2OCCF)CC[N@@H+]1Cc1ccccc1 ZINC000455726277 822714783 /nfs/dbraw/zinc/71/47/83/822714783.db2.gz TVFAREDZLUMRLO-PKOBYXMFSA-N 1 0 385.483 4.210 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)Nc2ccccc2OCCF)CC[N@@H+]1Cc1ccccc1 ZINC000455726272 822714811 /nfs/dbraw/zinc/71/48/11/822714811.db2.gz TVFAREDZLUMRLO-IEBWSBKVSA-N 1 0 385.483 4.210 20 0 GIADRO CC(C)C(=O)Nc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000050026541 822714863 /nfs/dbraw/zinc/71/48/63/822714863.db2.gz SFIJKUUHUUZZMG-LJQANCHMSA-N 1 0 379.504 4.132 20 0 GIADRO O=C(Nc1ccc2c(c1)CCCC2)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000455732224 822716228 /nfs/dbraw/zinc/71/62/28/822716228.db2.gz LKXJLXFYIRKLCE-UHFFFAOYSA-N 1 0 395.469 4.492 20 0 GIADRO Cc1cc2ccccc2c(NC(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000455731781 822716236 /nfs/dbraw/zinc/71/62/36/822716236.db2.gz CBWWMNSWEQQGOK-UHFFFAOYSA-N 1 0 394.563 4.171 20 0 GIADRO CCOc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1F ZINC000050058118 822716490 /nfs/dbraw/zinc/71/64/90/822716490.db2.gz LISYUYRHGJSHCA-HNNXBMFYSA-N 1 0 391.512 4.320 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)Nc2ccc3c(c2)CCCC3=O)[NH+]2CCCC2)o1 ZINC000455734348 822716800 /nfs/dbraw/zinc/71/68/00/822716800.db2.gz NLRWWJRGBNUOMD-LJQANCHMSA-N 1 0 381.476 4.066 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1Cl)c1ccc(NC(=O)C2CC2)cc1 ZINC000184957080 822718216 /nfs/dbraw/zinc/71/82/16/822718216.db2.gz JBROALPCMGYKBZ-HXPMCKFVSA-N 1 0 376.859 4.212 20 0 GIADRO C[C@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1cn(C)c2ccccc12 ZINC000184963540 822719154 /nfs/dbraw/zinc/71/91/54/822719154.db2.gz XSXNGUSLVQDZDC-SFHVURJKSA-N 1 0 375.516 4.194 20 0 GIADRO Cc1ccc(F)c(Br)c1NC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000455750707 822719602 /nfs/dbraw/zinc/71/96/02/822719602.db2.gz LXKKVGHAQWEJNO-UHFFFAOYSA-N 1 0 386.309 4.139 20 0 GIADRO O=C(C[NH2+][C@@H](Cc1ccccc1)c1cccs1)N[C@@H]1CCOc2ccccc21 ZINC000184975386 822720324 /nfs/dbraw/zinc/72/03/24/822720324.db2.gz OGDSOQLOPDDIDP-UXHICEINSA-N 1 0 392.524 4.262 20 0 GIADRO Cn1cc(-c2cc(C[N@H+](Cc3cccc(Br)c3)C3CC3)on2)cn1 ZINC000184974394 822720351 /nfs/dbraw/zinc/72/03/51/822720351.db2.gz MJMQMHFSHUAOML-UHFFFAOYSA-N 1 0 387.281 4.002 20 0 GIADRO Cc1ccc(F)c(Br)c1NC(=O)NCCC[NH2+]C1CCCCC1 ZINC000455755045 822720345 /nfs/dbraw/zinc/72/03/45/822720345.db2.gz RNIRCQFVJAWGEP-UHFFFAOYSA-N 1 0 386.309 4.331 20 0 GIADRO Cc1ncc(CN(C)C(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)s1 ZINC000050157117 822720725 /nfs/dbraw/zinc/72/07/25/822720725.db2.gz QIPOKUBWNQWNGP-FQEVSTJZSA-N 1 0 386.565 4.066 20 0 GIADRO C[C@@H]([NH2+]Cc1cnn(Cc2ccccc2)c1)c1cc(Br)ccc1O ZINC000184999012 822723638 /nfs/dbraw/zinc/72/36/38/822723638.db2.gz DZJNEJLVWNSYPT-CQSZACIVSA-N 1 0 386.293 4.250 20 0 GIADRO Cc1nc2c(s1)[C@@H]([NH2+][C@@H]1CCN(c3ccccc3C(F)(F)F)C1=O)CCC2 ZINC000185001832 822723981 /nfs/dbraw/zinc/72/39/81/822723981.db2.gz PPZYPCIMJPOZPU-LSDHHAIUSA-N 1 0 395.450 4.243 20 0 GIADRO Cc1nc(C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c(-c2ccccc2)o1 ZINC000185007642 822724664 /nfs/dbraw/zinc/72/46/64/822724664.db2.gz LOLCDGJESNZOPN-HXUWFJFHSA-N 1 0 389.499 4.244 20 0 GIADRO C[NH+](C)CCOc1cccc(CNC(=O)Nc2ccccc2C(C)(F)F)c1 ZINC000455783507 822726100 /nfs/dbraw/zinc/72/61/00/822726100.db2.gz BQXACTSWTQZHFI-UHFFFAOYSA-N 1 0 377.435 4.060 20 0 GIADRO C[C@@H]([NH2+]Cc1ccnc(N2CCCCC2)c1)c1ccc(Br)cc1O ZINC000185054655 822729943 /nfs/dbraw/zinc/72/99/43/822729943.db2.gz VXQZFRIKRVJSKJ-CQSZACIVSA-N 1 0 390.325 4.391 20 0 GIADRO C[C@H](c1ccccc1C(F)(F)F)[C@H](C)[NH2+]Cc1cc(-c2cnn(C)c2)no1 ZINC000185061282 822731000 /nfs/dbraw/zinc/73/10/00/822731000.db2.gz XCPFEYITQHGFBG-STQMWFEESA-N 1 0 378.398 4.376 20 0 GIADRO CCCn1ncc(NC(=O)NC[C@H](c2ccc(CC)cc2)[NH+](C)C)c1C1CC1 ZINC000455827382 822732964 /nfs/dbraw/zinc/73/29/64/822732964.db2.gz KBFDJMSERSTACK-HXUWFJFHSA-N 1 0 383.540 4.157 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCCc3ccccc3OC(F)F)ccc21 ZINC000455835299 822733930 /nfs/dbraw/zinc/73/39/30/822733930.db2.gz ADWLITDVNGNEMX-GOSISDBHSA-N 1 0 389.446 4.201 20 0 GIADRO O=C(CCCOCc1ccccc1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000050611721 822734813 /nfs/dbraw/zinc/73/48/13/822734813.db2.gz HIUSIULHHNMJHJ-UHFFFAOYSA-N 1 0 380.532 4.012 20 0 GIADRO CCCn1ncc(NC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)c1C1CC1 ZINC000455839879 822734983 /nfs/dbraw/zinc/73/49/83/822734983.db2.gz WTRGXLJJRQJMDQ-INIZCTEOSA-N 1 0 383.540 4.421 20 0 GIADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cnc(-c3ccccc3Cl)s2)C1 ZINC000050629013 822735150 /nfs/dbraw/zinc/73/51/50/822735150.db2.gz DDFMPCOFUVFKSY-AWEZNQCLSA-N 1 0 377.941 4.314 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCc3c(F)cccc3N3CCCC3)ccc21 ZINC000455841650 822735285 /nfs/dbraw/zinc/73/52/85/822735285.db2.gz DWSDKVMHDXZUAF-OAQYLSRUSA-N 1 0 396.510 4.297 20 0 GIADRO CC[C@@H](CO)N(Cc1ccccc1)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455843278 822735693 /nfs/dbraw/zinc/73/56/93/822735693.db2.gz GHXUGVZSHYRSLO-UNMCSNQZSA-N 1 0 381.520 4.041 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC(C)(C)COCc3ccccc3)ccc21 ZINC000455844987 822735858 /nfs/dbraw/zinc/73/58/58/822735858.db2.gz HQIFZTGKJBXWMD-OAQYLSRUSA-N 1 0 381.520 4.352 20 0 GIADRO C[C@H](CCOCc1ccccc1)NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455846431 822736197 /nfs/dbraw/zinc/73/61/97/822736197.db2.gz IKEITOVPVMCMOJ-VGOFRKELSA-N 1 0 381.520 4.352 20 0 GIADRO COc1cc(C)c(CN(C)C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)cc1OC ZINC000455847780 822736338 /nfs/dbraw/zinc/73/63/38/822736338.db2.gz CBAUSVMHINIIJQ-HXUWFJFHSA-N 1 0 397.519 4.225 20 0 GIADRO C[C@H](CN(C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)[C@@H](C)CO)c1ccccc1 ZINC000455854008 822737512 /nfs/dbraw/zinc/73/75/12/822737512.db2.gz MUQPDPLQXMSOMY-IEGUWTFLSA-N 1 0 395.547 4.254 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)NCc3ccsc3Br)ccc21 ZINC000455858253 822738161 /nfs/dbraw/zinc/73/81/61/822738161.db2.gz PFGJQPFKENYCTG-HNNXBMFYSA-N 1 0 394.338 4.381 20 0 GIADRO CCSCc1ccc(NC(=O)NCc2ccc(CN3CCOCC3)cc2)cc1 ZINC000455869091 822739875 /nfs/dbraw/zinc/73/98/75/822739875.db2.gz JGUFJMMZVQOHIW-UHFFFAOYSA-N 1 0 399.560 4.094 20 0 GIADRO CC(C)c1ncsc1NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000455869069 822739892 /nfs/dbraw/zinc/73/98/92/822739892.db2.gz QOFRAPFUXCTWLK-MSOLQXFVSA-N 1 0 384.549 4.252 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N(Cc3ccccc3)[C@@H](CO)C3CC3)ccc21 ZINC000455872723 822740656 /nfs/dbraw/zinc/74/06/56/822740656.db2.gz YXEILZPVLIKYRE-GOTSBHOMSA-N 1 0 393.531 4.041 20 0 GIADRO C[N@@H+](Cc1ccc(OC(F)(F)F)cc1)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000185157954 822744191 /nfs/dbraw/zinc/74/41/91/822744191.db2.gz WBDBMQKKIBBRBD-UHFFFAOYSA-N 1 0 386.458 4.302 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCc3cccc(Br)c3)ccc21 ZINC000455897003 822744260 /nfs/dbraw/zinc/74/42/60/822744260.db2.gz DMASQBBMAJYILL-GOSISDBHSA-N 1 0 388.309 4.320 20 0 GIADRO CC(C)(C)C(=O)N1CCC(C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)CC1 ZINC000185170584 822745129 /nfs/dbraw/zinc/74/51/29/822745129.db2.gz POYBTJYLULEQIU-GOSISDBHSA-N 1 0 378.582 4.014 20 0 GIADRO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000051057463 822745173 /nfs/dbraw/zinc/74/51/73/822745173.db2.gz ARYTVEYDUKPSGC-OAQYLSRUSA-N 1 0 393.531 4.067 20 0 GIADRO C[NH+](C)CC1(CNC(=O)N(Cc2ccco2)Cc2cccs2)CCCC1 ZINC000185179917 822746091 /nfs/dbraw/zinc/74/60/91/822746091.db2.gz ZOQQMKTXXWRHFI-UHFFFAOYSA-N 1 0 375.538 4.175 20 0 GIADRO COc1ccc(O)c([C@H](C)[NH2+]CC2(c3ccc(Cl)cc3)CCOCC2)c1 ZINC000185180417 822746332 /nfs/dbraw/zinc/74/63/32/822746332.db2.gz VLXYSFLVQQLYDA-HNNXBMFYSA-N 1 0 375.896 4.453 20 0 GIADRO CCc1ccc(NC(=O)N(Cc2ccncc2)C[C@@H]2CCC[N@H+]2CC)cc1OC ZINC000455910069 822747213 /nfs/dbraw/zinc/74/72/13/822747213.db2.gz PKIIJFJESXXLSM-NRFANRHFSA-N 1 0 396.535 4.171 20 0 GIADRO CSc1ccc(NC(=O)C[N@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)cc1 ZINC000051132707 822747259 /nfs/dbraw/zinc/74/72/59/822747259.db2.gz HZMKHTCCTYKIPP-PGRDOPGGSA-N 1 0 384.545 4.447 20 0 GIADRO COc1ccc(NC(=O)[C@H](C)[N@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)cc1 ZINC000051132855 822747268 /nfs/dbraw/zinc/74/72/68/822747268.db2.gz DRWXCZSSPMQQFU-LQBOVUBWSA-N 1 0 382.504 4.122 20 0 GIADRO CCN(Cc1ccccc1)C(=O)C[N@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132961 822747278 /nfs/dbraw/zinc/74/72/78/822747278.db2.gz MQZPEAANXOZYQT-LADGPHEKSA-N 1 0 380.532 4.135 20 0 GIADRO C[C@H](c1cc(F)ccc1F)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000185190139 822747349 /nfs/dbraw/zinc/74/73/49/822747349.db2.gz XIQIANKCUMRLBR-LLVKDONJSA-N 1 0 381.354 4.034 20 0 GIADRO C[C@H](C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cn(C)c2ccccc12 ZINC000185200200 822748614 /nfs/dbraw/zinc/74/86/14/822748614.db2.gz JUVBOGGVEIRPIO-ZWKOTPCHSA-N 1 0 395.572 4.372 20 0 GIADRO CCOC(=O)C1CC[NH+]([C@H](C)c2cccc(NC(=O)c3ccccc3)c2)CC1 ZINC000051159291 822748797 /nfs/dbraw/zinc/74/87/97/822748797.db2.gz SZAOFKVXGFDRMC-QGZVFWFLSA-N 1 0 380.488 4.275 20 0 GIADRO CC(=O)Nc1ccccc1C[NH2+][C@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000185201963 822748883 /nfs/dbraw/zinc/74/88/83/822748883.db2.gz IZBDWDOFIXPQQM-INIZCTEOSA-N 1 0 377.410 4.032 20 0 GIADRO Cc1nc(NC(=O)N2CCC([NH+](C)C)CC2)sc1Cc1cccc(Cl)c1 ZINC000455917169 822749008 /nfs/dbraw/zinc/74/90/08/822749008.db2.gz FONNWEOWFNKAKQ-UHFFFAOYSA-N 1 0 392.956 4.254 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCC(Oc4ccc(F)cc4)CC3)ccc21 ZINC000455918338 822749196 /nfs/dbraw/zinc/74/91/96/822749196.db2.gz LBNLMFAIAZUJMS-JOCHJYFZSA-N 1 0 397.494 4.450 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCC(Cc4cccnc4)CC3)ccc21 ZINC000455920817 822749707 /nfs/dbraw/zinc/74/97/07/822749707.db2.gz LTTIFCWRDLIQPJ-JOCHJYFZSA-N 1 0 378.520 4.117 20 0 GIADRO Fc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCc2nccs2)cc1 ZINC000051189607 822750092 /nfs/dbraw/zinc/75/00/92/822750092.db2.gz HDHMRUZMKFKTRM-UHFFFAOYSA-N 1 0 378.476 4.467 20 0 GIADRO Cc1nc(NC(=O)N2CC[C@H]([NH+](C)C)C2)sc1Cc1ccc(Cl)cc1F ZINC000455925801 822750664 /nfs/dbraw/zinc/75/06/64/822750664.db2.gz ZFCPWNTXNNCOFN-AWEZNQCLSA-N 1 0 396.919 4.003 20 0 GIADRO CC(C)O[C@H]1C[C@H]([NH2+]Cc2cccc(NC(=O)NCc3ccncc3)c2)C1(C)C ZINC000185225333 822751505 /nfs/dbraw/zinc/75/15/05/822751505.db2.gz NKYHFHDCLYJLMI-SFTDATJTSA-N 1 0 396.535 4.085 20 0 GIADRO CC[C@@H]1C[C@@H](C)CN1C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000455934732 822752624 /nfs/dbraw/zinc/75/26/24/822752624.db2.gz ABNZODXXNAGGDX-GDBMZVCRSA-N 1 0 379.932 4.465 20 0 GIADRO C[C@@H](CC(F)(F)F)NC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000455936648 822753154 /nfs/dbraw/zinc/75/31/54/822753154.db2.gz CNMVHIMMGVVZPY-NSHDSACASA-N 1 0 393.837 4.275 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)N2CCc3ccccc3C2)CC1 ZINC000455937230 822753161 /nfs/dbraw/zinc/75/31/61/822753161.db2.gz DPJNTXHWOWFXQQ-UHFFFAOYSA-N 1 0 399.922 4.403 20 0 GIADRO C[C@@H]1CCN(C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)C[C@@H]1C ZINC000455941642 822754220 /nfs/dbraw/zinc/75/42/20/822754220.db2.gz JOBIHXWOLNCPAJ-CABCVRRESA-N 1 0 379.932 4.323 20 0 GIADRO CCOC(=O)C[C@@H](NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)c1ccccc1 ZINC000455942184 822754468 /nfs/dbraw/zinc/75/44/68/822754468.db2.gz UWARSRYQHXIBPJ-NHCUHLMSSA-N 1 0 395.503 4.052 20 0 GIADRO CSC[C@@H]1CCCN1C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000455944854 822755242 /nfs/dbraw/zinc/75/52/42/822755242.db2.gz NDRNLEKEWLJXCG-HNNXBMFYSA-N 1 0 397.972 4.172 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)N2CC[C@H](C3CC3)C2)CC1 ZINC000455945868 822755523 /nfs/dbraw/zinc/75/55/23/822755523.db2.gz PKHWETNNRFSQEH-HNNXBMFYSA-N 1 0 377.916 4.077 20 0 GIADRO CCN(Cc1ccc(OC)c(OC)c1)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455946123 822755549 /nfs/dbraw/zinc/75/55/49/822755549.db2.gz WRSRGOWCZYXRNT-HXUWFJFHSA-N 1 0 397.519 4.307 20 0 GIADRO CC[C@@H]1CCCN(C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)C1 ZINC000455946356 822755702 /nfs/dbraw/zinc/75/57/02/822755702.db2.gz PYGWQTOEKSSUGD-OAHLLOKOSA-N 1 0 379.932 4.467 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)N2CCC[C@@](C)(F)C2)CC1 ZINC000455946840 822755847 /nfs/dbraw/zinc/75/58/47/822755847.db2.gz QOVVFLNTZJVTCU-LJQANCHMSA-N 1 0 383.895 4.169 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)N2Cc3ccccc3C2)CC1 ZINC000455947664 822756105 /nfs/dbraw/zinc/75/61/05/822756105.db2.gz RVUIVENAACPNCP-UHFFFAOYSA-N 1 0 385.895 4.361 20 0 GIADRO CO[C@@H](C)CN(C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1)C(C)C ZINC000455947320 822756122 /nfs/dbraw/zinc/75/61/22/822756122.db2.gz RIXCZSSPQVQCES-HNNXBMFYSA-N 1 0 397.947 4.090 20 0 GIADRO C[C@H](CNC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1)C(F)(F)F ZINC000455949091 822756423 /nfs/dbraw/zinc/75/64/23/822756423.db2.gz VTXKLBUUWCIQJJ-LLVKDONJSA-N 1 0 393.837 4.133 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)N2C[C@H]3CCCC[C@@H]3C2)CC1 ZINC000455950142 822756715 /nfs/dbraw/zinc/75/67/15/822756715.db2.gz XSAQTQBVOYBHSM-HZPDHXFCSA-N 1 0 391.943 4.467 20 0 GIADRO CC(C)[C@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)c1ccc(Cl)cc1F ZINC000185269197 822757308 /nfs/dbraw/zinc/75/73/08/822757308.db2.gz LSSGERHZTPJMRO-IBGZPJMESA-N 1 0 395.881 4.337 20 0 GIADRO CC(C)(C)C[C@@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)c1ccc(F)cc1 ZINC000185272250 822757709 /nfs/dbraw/zinc/75/77/09/822757709.db2.gz AEXROZUSONLPRA-HXUWFJFHSA-N 1 0 389.490 4.464 20 0 GIADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000455963634 822757916 /nfs/dbraw/zinc/75/79/16/822757916.db2.gz BFJAMLAUULRTMD-NHYWBVRUSA-N 1 0 386.721 4.193 20 0 GIADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000455963627 822757927 /nfs/dbraw/zinc/75/79/27/822757927.db2.gz BFFGLFOASDKSMG-NHYWBVRUSA-N 1 0 386.721 4.193 20 0 GIADRO COC(=O)c1ccc(OCC[NH2+][C@H](c2ncc(C)s2)C2CC2)c(Cl)c1 ZINC000185276491 822758346 /nfs/dbraw/zinc/75/83/46/822758346.db2.gz MVSHDRRFCONQLI-INIZCTEOSA-N 1 0 380.897 4.011 20 0 GIADRO COc1ccc(C[C@@H](C)C[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)cc1F ZINC000185281177 822759058 /nfs/dbraw/zinc/75/90/58/822759058.db2.gz LZRTUOSBUKQKDX-HZPDHXFCSA-N 1 0 386.467 4.320 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)N(C)C[C@@H]2CCCO[C@H]2c2ccccc2)o1 ZINC000051467828 822761280 /nfs/dbraw/zinc/76/12/80/822761280.db2.gz CBVYHLNDLRCQKW-UGKGYDQZSA-N 1 0 384.520 4.361 20 0 GIADRO CC[N@@H+](Cc1cccc(C(=O)NCc2ccco2)c1)C[C@H](O)c1ccc(C)cc1 ZINC000174281952 822762617 /nfs/dbraw/zinc/76/26/17/822762617.db2.gz IFDGGEAXCATDHZ-QHCPKHFHSA-N 1 0 392.499 4.074 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]C[C@](C)(O)c2cccc(Cl)c2)cc1Cn1cccn1 ZINC000185307008 822763031 /nfs/dbraw/zinc/76/30/31/822763031.db2.gz AVFYPOLWZISMDX-ZHRRBRCNSA-N 1 0 399.922 4.152 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)c3c(C)oc4ccccc43)CC2)cc1 ZINC000185317659 822764904 /nfs/dbraw/zinc/76/49/04/822764904.db2.gz IWMGBSKJAQTBTM-UHFFFAOYSA-N 1 0 392.499 4.392 20 0 GIADRO O=[N+]([O-])c1ccc(C[NH2+]CCCc2nc(-c3ccc(F)cc3)no2)cc1Cl ZINC000185322629 822765730 /nfs/dbraw/zinc/76/57/30/822765730.db2.gz NQXSCLUUXQLVMV-UHFFFAOYSA-N 1 0 390.802 4.160 20 0 GIADRO Cc1ccc(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c(C2CC2)n1 ZINC000456042763 822770068 /nfs/dbraw/zinc/77/00/68/822770068.db2.gz BTSLDMXMWBNLHV-FQEVSTJZSA-N 1 0 377.532 4.300 20 0 GIADRO C[NH+](C)Cc1cc(CNC(=O)Nc2cccc(CC(F)(F)F)c2)ccc1F ZINC000174324398 822771096 /nfs/dbraw/zinc/77/10/96/822771096.db2.gz ZJCIYAGILGJGDZ-UHFFFAOYSA-N 1 0 383.389 4.314 20 0 GIADRO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(Br)cc2)c2ccc(F)cc2C1 ZINC000185360389 822771303 /nfs/dbraw/zinc/77/13/03/822771303.db2.gz ZPCHPANOBGFDJB-LJQANCHMSA-N 1 0 391.284 4.171 20 0 GIADRO CCOc1ccc([C@H](C)NC(=O)C[N@@H+]2CCC[C@@H]2c2cccs2)cc1OC ZINC000051653245 822771636 /nfs/dbraw/zinc/77/16/36/822771636.db2.gz KRVRJSCYYBQGHV-DOTOQJQBSA-N 1 0 388.533 4.170 20 0 GIADRO COc1ccc([C@H]2CCCN2C(=O)C[N@H+](C)[C@H](C)c2ccccc2)c(OC)c1 ZINC000051709661 822775705 /nfs/dbraw/zinc/77/57/05/822775705.db2.gz ZZLZMTCLNCWTGV-DYESRHJHSA-N 1 0 382.504 4.060 20 0 GIADRO COc1ccc(C2(CNC(=O)N(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)CCCCC2)cc1 ZINC000174345571 822775708 /nfs/dbraw/zinc/77/57/08/822775708.db2.gz MJMLEISNTPHYHC-UYAOXDASSA-N 1 0 387.568 4.021 20 0 GIADRO CC(C)c1ccc([C@@H](C[NH2+]Cc2ccc(CO)o2)NC(=O)OC(C)(C)C)cc1 ZINC000174347195 822776045 /nfs/dbraw/zinc/77/60/45/822776045.db2.gz DYYNHNMALHOLHC-HXUWFJFHSA-N 1 0 388.508 4.251 20 0 GIADRO C[C@@H](CCNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1cccc(C(F)(F)F)c1 ZINC000174363973 822778326 /nfs/dbraw/zinc/77/83/26/822778326.db2.gz IGULRSACESECPD-DLBZAZTESA-N 1 0 397.485 4.326 20 0 GIADRO CSc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-n2cccn2)cc1 ZINC000174367769 822778868 /nfs/dbraw/zinc/77/88/68/822778868.db2.gz SJMZSATZOUIFMY-CVEARBPZSA-N 1 0 380.517 4.272 20 0 GIADRO CC(C)c1ncc(Cl)c(C(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)n1 ZINC000174367919 822779009 /nfs/dbraw/zinc/77/90/09/822779009.db2.gz SKEQKELLCJEKPM-UHFFFAOYSA-N 1 0 385.899 4.022 20 0 GIADRO Cc1cccc2c(NCc3cccc(N4CCCS4(=O)=O)c3)c(C)c[nH+]c12 ZINC000185408604 822779831 /nfs/dbraw/zinc/77/98/31/822779831.db2.gz WTXVCZMCJGZFBQ-UHFFFAOYSA-N 1 0 381.501 4.004 20 0 GIADRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](Cc2ccccc2)C(=O)Nc2ccccc2)c1 ZINC000185410221 822780308 /nfs/dbraw/zinc/78/03/08/822780308.db2.gz UUTNVHWIBWJOSA-VGOFRKELSA-N 1 0 390.483 4.301 20 0 GIADRO CSc1cccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(-n3cccn3)cc2)c1 ZINC000174377720 822780752 /nfs/dbraw/zinc/78/07/52/822780752.db2.gz RFEGLIZXYJNYCT-HZPDHXFCSA-N 1 0 380.517 4.272 20 0 GIADRO COc1ccc(C[NH2+]C[C@H](O)c2ccc(-c3ccccc3)cc2)c(OC)c1OC ZINC000185419805 822781553 /nfs/dbraw/zinc/78/15/53/822781553.db2.gz WOWQJSWNVYAQRY-NRFANRHFSA-N 1 0 393.483 4.203 20 0 GIADRO COCc1cccc(C[NH2+]CCC(=O)Nc2cc(Br)ccc2C)c1 ZINC000174387966 822782197 /nfs/dbraw/zinc/78/21/97/822782197.db2.gz OZUMXVJTANUHAG-UHFFFAOYSA-N 1 0 391.309 4.022 20 0 GIADRO c1sc(CCC[NH2+]C2CCN(Cc3ccccc3)CC2)nc1-c1ccncc1 ZINC000174389589 822782338 /nfs/dbraw/zinc/78/23/38/822782338.db2.gz NKWWRMGFRHJRLP-UHFFFAOYSA-N 1 0 392.572 4.392 20 0 GIADRO CC[N@@H+](Cc1nc(-c2ccc(F)cc2)no1)CC1CCN(c2ccccn2)CC1 ZINC000174395519 822783598 /nfs/dbraw/zinc/78/35/98/822783598.db2.gz GKLQQLXVLMWXRU-UHFFFAOYSA-N 1 0 395.482 4.009 20 0 GIADRO CC[NH+](CC)[C@@H](C(=O)NCc1cnccc1C)c1cccc(C(F)(F)F)c1 ZINC000456146187 822783906 /nfs/dbraw/zinc/78/39/06/822783906.db2.gz AKEIHBVOOOTPFA-GOSISDBHSA-N 1 0 379.426 4.108 20 0 GIADRO COC(=O)COc1cccc(C[NH2+]Cc2ccc(-c3ccccc3OC)cc2)c1 ZINC000174398607 822784173 /nfs/dbraw/zinc/78/41/73/822784173.db2.gz HRRWMTPJSASCCE-UHFFFAOYSA-N 1 0 391.467 4.204 20 0 GIADRO COc1ccccc1-c1ccc(CN[C@@H](C)c2nnnn2-c2ccccc2)cc1 ZINC000174400225 822784556 /nfs/dbraw/zinc/78/45/56/822784556.db2.gz ZBGIPADIZAFQAC-KRWDZBQOSA-N 1 0 385.471 4.189 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccccc1Oc1cccnc1 ZINC000051977435 822784679 /nfs/dbraw/zinc/78/46/79/822784679.db2.gz RKTUYYBCJWQJQV-IBGZPJMESA-N 1 0 377.444 4.034 20 0 GIADRO CCc1cccc(CC)c1NC(=O)CN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174402302 822785015 /nfs/dbraw/zinc/78/50/15/822785015.db2.gz ZRWPCQVXISPJRK-OAQYLSRUSA-N 1 0 393.575 4.204 20 0 GIADRO Cc1cccc(COc2cccc(CC(=O)NC(C)(C)CCC[NH+](C)C)c2)c1 ZINC000456160040 822785335 /nfs/dbraw/zinc/78/53/35/822785335.db2.gz BAHKUXJVUULBQM-UHFFFAOYSA-N 1 0 382.548 4.353 20 0 GIADRO CCOc1ccccc1[C@@H](CC(C)C)NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000174413923 822786991 /nfs/dbraw/zinc/78/69/91/822786991.db2.gz ZJYRIQHQAOBKDY-PZJWPPBQSA-N 1 0 387.568 4.300 20 0 GIADRO CC(C)c1noc(CCC[NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)n1 ZINC000174415988 822787181 /nfs/dbraw/zinc/78/71/81/822787181.db2.gz KFLVFICVAXVXMI-QGZVFWFLSA-N 1 0 393.915 4.127 20 0 GIADRO C[NH+]1CCC(CC(=O)Nc2scnc2-c2ccc(Br)cc2)CC1 ZINC000456243879 822789589 /nfs/dbraw/zinc/78/95/89/822789589.db2.gz HSFWFHSSNHUPEE-UHFFFAOYSA-N 1 0 394.338 4.243 20 0 GIADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@@H](C)c1ccc(Cl)c2ccccc21 ZINC000185487468 822789907 /nfs/dbraw/zinc/78/99/07/822789907.db2.gz RSXXPPFQYXQAMD-YCRPNKLZSA-N 1 0 388.939 4.464 20 0 GIADRO CC(C)(C)[N@@H+]1CCCN(Cn2nc(Nc3ccccc3F)sc2=S)CC1 ZINC000052087400 822790325 /nfs/dbraw/zinc/79/03/25/822790325.db2.gz HWCXBTXXPMXFBR-UHFFFAOYSA-N 1 0 395.573 4.320 20 0 GIADRO Cc1cccc(Nc2nn(CN3CCC[N@@H+](C(C)(C)C)CC3)c(=S)s2)c1 ZINC000052087356 822790364 /nfs/dbraw/zinc/79/03/64/822790364.db2.gz IGEJOZJNQQBIHH-UHFFFAOYSA-N 1 0 391.610 4.490 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)C3(c4cccc(F)c4)CCOCC3)ccc21 ZINC000456255363 822790579 /nfs/dbraw/zinc/79/05/79/822790579.db2.gz BYFVXAIDWJAMLA-NRFANRHFSA-N 1 0 382.479 4.062 20 0 GIADRO Cc1cc(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)nn1-c1ccc(F)cc1 ZINC000456255403 822790634 /nfs/dbraw/zinc/79/06/34/822790634.db2.gz BZMKMMMXFYWPEO-OAQYLSRUSA-N 1 0 378.451 4.121 20 0 GIADRO Cc1cccc(C)c1NC(=O)CCC[NH+]1CCN([C@H](C)c2ccsc2)CC1 ZINC000185498619 822791079 /nfs/dbraw/zinc/79/10/79/822791079.db2.gz OFTVTVXSZSMBAP-LJQANCHMSA-N 1 0 385.577 4.462 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)CCCNC(=O)c3ccc(Cl)cc3)ccc21 ZINC000456260458 822791129 /nfs/dbraw/zinc/79/11/29/822791129.db2.gz ICYGQKYLQJACEI-HXUWFJFHSA-N 1 0 399.922 4.038 20 0 GIADRO COCC[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)c1cccc(C(F)(F)F)c1 ZINC000456261363 822791252 /nfs/dbraw/zinc/79/12/52/822791252.db2.gz GJFSNHMFEUVNPU-SFHVURJKSA-N 1 0 386.458 4.020 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)Cc3ccc(Br)c(F)c3)ccc21 ZINC000456265256 822791716 /nfs/dbraw/zinc/79/17/16/822791716.db2.gz HTDVDVKYPDEYPY-SFHVURJKSA-N 1 0 391.284 4.318 20 0 GIADRO Cc1cc(C(=O)NC2CC[NH+](CC3CCC(C(F)(F)F)CC3)CC2)c(C)o1 ZINC000185508274 822791876 /nfs/dbraw/zinc/79/18/76/822791876.db2.gz XMQLIOWKHBUPCX-UHFFFAOYSA-N 1 0 386.458 4.459 20 0 GIADRO CCOc1ccccc1C[N@H+](C)CCC(=O)Nc1cc(Cl)ccc1OC ZINC000052164264 822791868 /nfs/dbraw/zinc/79/18/68/822791868.db2.gz BIKOLFSXWWTJPU-UHFFFAOYSA-N 1 0 376.884 4.208 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)COc3ccc(Br)cc3)ccc21 ZINC000456267426 822791922 /nfs/dbraw/zinc/79/19/22/822791922.db2.gz RBALRAVMZRLCEA-SFHVURJKSA-N 1 0 389.293 4.016 20 0 GIADRO Cc1nccn1CCCC[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000174453756 822792032 /nfs/dbraw/zinc/79/20/32/822792032.db2.gz MFDQRKZTFZURBD-UHFFFAOYSA-N 1 0 388.256 4.125 20 0 GIADRO COc1ccc(CCCC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)c(OC)c1 ZINC000456269229 822792034 /nfs/dbraw/zinc/79/20/34/822792034.db2.gz JUFRRCZKBORDPH-NRFANRHFSA-N 1 0 382.504 4.214 20 0 GIADRO Cc1cc(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)c(C)n1Cc1ccncc1 ZINC000456273574 822792511 /nfs/dbraw/zinc/79/25/11/822792511.db2.gz LXWDPXMWIOEZAL-QHCPKHFHSA-N 1 0 388.515 4.349 20 0 GIADRO O[C@@H](C[C@@H]1COCC[N@@H+]1CC1CCC(C(F)(F)F)CC1)c1cccs1 ZINC000185521285 822793155 /nfs/dbraw/zinc/79/31/55/822793155.db2.gz OWZFUZDFLVCLFU-FJBKBRRZSA-N 1 0 377.472 4.241 20 0 GIADRO CCc1c(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)cnn1Cc1ccccc1 ZINC000456281943 822793719 /nfs/dbraw/zinc/79/37/19/822793719.db2.gz RMUGGXXNDXTSNO-QHCPKHFHSA-N 1 0 388.515 4.295 20 0 GIADRO CCOc1ccccc1OCCCC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000456284117 822794066 /nfs/dbraw/zinc/79/40/66/822794066.db2.gz SVPBUUOEBCZZCO-FQEVSTJZSA-N 1 0 382.504 4.432 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)NCC(C)(C)c2ccc(Cl)c(Cl)c2)CC[N@@H+]1C ZINC000174468911 822794415 /nfs/dbraw/zinc/79/44/15/822794415.db2.gz HVZUKIFMUJDOEV-DZGCQCFKSA-N 1 0 386.367 4.395 20 0 GIADRO CC(C)NC(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)c1 ZINC000456287952 822794460 /nfs/dbraw/zinc/79/44/60/822794460.db2.gz WJISBZYIRMHQHA-HXUWFJFHSA-N 1 0 380.492 4.018 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2c(C)n(C3CCCC3)c3ccc(OC)cc32)C1 ZINC000174482488 822795421 /nfs/dbraw/zinc/79/54/21/822795421.db2.gz OWDVKLHSFBGODD-SFHVURJKSA-N 1 0 397.563 4.487 20 0 GIADRO CO[C@]1(C)C[C@H](N(C)Cc2nnc(-c3ccccc3Br)o2)C1(C)C ZINC000174482244 822795433 /nfs/dbraw/zinc/79/54/33/822795433.db2.gz VWRUGQPXFHGQIH-KBXCAEBGSA-N 1 0 394.313 4.135 20 0 GIADRO C[C@H](CCc1ccccc1)NC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174483544 822795650 /nfs/dbraw/zinc/79/56/50/822795650.db2.gz HYVZOIAXAZUWNN-OFNKIYASSA-N 1 0 379.548 4.171 20 0 GIADRO C[C@@H](CCc1ccccc1)NC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174483533 822795663 /nfs/dbraw/zinc/79/56/63/822795663.db2.gz HYVZOIAXAZUWNN-REWPJTCUSA-N 1 0 379.548 4.171 20 0 GIADRO COCC[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)c1cccc(C(F)(F)F)c1 ZINC000456299895 822795771 /nfs/dbraw/zinc/79/57/71/822795771.db2.gz STNGYBYXPOZCRI-LJQANCHMSA-N 1 0 394.437 4.275 20 0 GIADRO COc1cccc(-c2nc(C[NH2+][C@@H](C)[C@@H]3COc4ccccc43)cs2)c1OC ZINC000185560885 822796716 /nfs/dbraw/zinc/79/67/16/822796716.db2.gz JPJVXZLZCCWBAS-KSSFIOAISA-N 1 0 396.512 4.482 20 0 GIADRO O=C(NC1CC[NH+](Cc2c(Cl)ccc3cccnc32)CC1)c1ccccc1 ZINC000052359362 822797134 /nfs/dbraw/zinc/79/71/34/822797134.db2.gz CFMPEYRQAKRJEB-UHFFFAOYSA-N 1 0 379.891 4.283 20 0 GIADRO CC(C)OCc1ccc(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)cc1 ZINC000456311256 822797228 /nfs/dbraw/zinc/79/72/28/822797228.db2.gz SAJZMWGRYCHGCB-FQEVSTJZSA-N 1 0 380.532 4.206 20 0 GIADRO CC(C)[NH+]1CCN(c2ccc(C(=O)Nc3c(F)cccc3NC3CC3)cc2)CC1 ZINC000174504125 822797908 /nfs/dbraw/zinc/79/79/08/822797908.db2.gz GTXPTJFAFWHGOV-UHFFFAOYSA-N 1 0 396.510 4.183 20 0 GIADRO C[C@@H]1CCc2c(sc3ncnc(NC4CC[NH+](Cc5ccccn5)CC4)c23)C1 ZINC000052407554 822798289 /nfs/dbraw/zinc/79/82/89/822798289.db2.gz HXSPBZPZKCLVAJ-OAHLLOKOSA-N 1 0 393.560 4.288 20 0 GIADRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(OCc3cccnc3)c2)C12CCC2 ZINC000174508803 822798760 /nfs/dbraw/zinc/79/87/60/822798760.db2.gz UOEUGYZAVNDTOK-YADHBBJMSA-N 1 0 382.504 4.107 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)Nc1cccc(Oc2ccccn2)c1 ZINC000174509776 822798892 /nfs/dbraw/zinc/79/88/92/822798892.db2.gz LDRWIAZHYVLXNG-LJQANCHMSA-N 1 0 392.459 4.426 20 0 GIADRO Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000456332058 822799222 /nfs/dbraw/zinc/79/92/22/822799222.db2.gz PGLPOHKPDJRGOR-AGUYFDCRSA-N 1 0 394.302 4.312 20 0 GIADRO C[C@H]1CN(C(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000456331699 822799224 /nfs/dbraw/zinc/79/92/24/822799224.db2.gz KMYMBHYYOGYBRR-QRQLOZEOSA-N 1 0 382.470 4.336 20 0 GIADRO C[NH+](C)Cc1cccc(C(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)c1 ZINC000174514024 822799528 /nfs/dbraw/zinc/79/95/28/822799528.db2.gz HNUHDGHCCPNSPC-UHFFFAOYSA-N 1 0 390.365 4.069 20 0 GIADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)Nc1cccc(Oc2ccccn2)c1 ZINC000174514424 822799591 /nfs/dbraw/zinc/79/95/91/822799591.db2.gz NHVINJFJWLTMFM-HXUWFJFHSA-N 1 0 390.487 4.168 20 0 GIADRO O=C([C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174522799 822800503 /nfs/dbraw/zinc/80/05/03/822800503.db2.gz HUXGBOWOXCGXFI-HYVNUMGLSA-N 1 0 381.347 4.431 20 0 GIADRO CCCC[NH+]1CCC(NC(=O)NC[C@@H]2CCCO[C@@H]2c2ccc(C)cc2)CC1 ZINC000174526628 822801210 /nfs/dbraw/zinc/80/12/10/822801210.db2.gz UVUAOXQFBPDJCJ-RBBKRZOGSA-N 1 0 387.568 4.026 20 0 GIADRO Cc1nc(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)c(-c2ccccc2)o1 ZINC000456351299 822801301 /nfs/dbraw/zinc/80/13/01/822801301.db2.gz WPQGLKMMNIDMIU-SFHVURJKSA-N 1 0 389.499 4.244 20 0 GIADRO C[C@@H](O)CC(C)(C)CNC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000174526906 822801387 /nfs/dbraw/zinc/80/13/87/822801387.db2.gz PZYNAQUHBQVZMZ-QGZVFWFLSA-N 1 0 375.557 4.370 20 0 GIADRO COc1cc(-c2ccccc2)sc1C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000174530471 822801826 /nfs/dbraw/zinc/80/18/26/822801826.db2.gz CUJLRRNYYWUXKU-KRWDZBQOSA-N 1 0 384.545 4.372 20 0 GIADRO CC(C)[NH+](CCNC(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1)C(C)C ZINC000052498024 822801842 /nfs/dbraw/zinc/80/18/42/822801842.db2.gz IDGPZOQCTOIRAR-UHFFFAOYSA-N 1 0 393.959 4.063 20 0 GIADRO C[C@@](O)(C[NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccco1 ZINC000174531257 822801955 /nfs/dbraw/zinc/80/19/55/822801955.db2.gz KGXADQZWQDTMKE-QGZVFWFLSA-N 1 0 382.407 4.419 20 0 GIADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000174537342 822802595 /nfs/dbraw/zinc/80/25/95/822802595.db2.gz PHAVIHXMTSQULW-SFHVURJKSA-N 1 0 396.535 4.062 20 0 GIADRO C[C@H]([NH2+]CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1)[C@@H]1COc2ccccc21 ZINC000185625137 822803686 /nfs/dbraw/zinc/80/36/86/822803686.db2.gz JRDXKLFEWWBGHU-BBRMVZONSA-N 1 0 393.314 4.106 20 0 GIADRO CC(C)n1cnnc1[C@@H]1CCC[N@H+](CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000174552495 822804157 /nfs/dbraw/zinc/80/41/57/822804157.db2.gz SEWSTLGCMHSZPM-OAHLLOKOSA-N 1 0 382.430 4.136 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]Cc1ccc(C(=O)OC(C)C)cc1 ZINC000185630583 822804338 /nfs/dbraw/zinc/80/43/38/822804338.db2.gz RARJKSACIFUGTA-ZDUSSCGKSA-N 1 0 397.441 4.478 20 0 GIADRO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000185636867 822805005 /nfs/dbraw/zinc/80/50/05/822805005.db2.gz XHIJNDDEKWZOTH-UHFFFAOYSA-N 1 0 379.479 4.112 20 0 GIADRO Cn1c2ccccc2nc1C(C)(C)[NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000185638085 822805220 /nfs/dbraw/zinc/80/52/20/822805220.db2.gz JKXVXGXJPWMMJM-IBGZPJMESA-N 1 0 379.504 4.156 20 0 GIADRO CC(C)(C)OC(=O)N1CCC(CC[NH+]2CCC(O)(c3ccccc3)CC2)CC1 ZINC000185638904 822805421 /nfs/dbraw/zinc/80/54/21/822805421.db2.gz ANCLCAZEXLYNSA-UHFFFAOYSA-N 1 0 388.552 4.007 20 0 GIADRO COc1ccc(O)c([C@@H](C)[NH2+]CCC(=O)Nc2cc(C)c(Cl)cc2OC)c1 ZINC000185640279 822805782 /nfs/dbraw/zinc/80/57/82/822805782.db2.gz IJUUYXZWGWDDMD-CYBMUJFWSA-N 1 0 392.883 4.051 20 0 GIADRO Cc1ccc(-c2noc(CCC[NH2+][C@H](C)[C@@H]3COc4ccccc43)n2)cc1F ZINC000185641736 822805837 /nfs/dbraw/zinc/80/58/37/822805837.db2.gz BKYNQFGKTSLSOY-QAPCUYQASA-N 1 0 381.451 4.271 20 0 GIADRO CCc1cccc(C)c1NC(=O)C[NH2+][C@H](C)c1c(C)nn(CC(F)(F)F)c1C ZINC000185654395 822807264 /nfs/dbraw/zinc/80/72/64/822807264.db2.gz UEPYKKWCSBZJFI-CYBMUJFWSA-N 1 0 396.457 4.222 20 0 GIADRO CCOc1cccc2cc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc3ccc4c(c3)OCO4)oc21 ZINC000052712340 822808096 /nfs/dbraw/zinc/80/80/96/822808096.db2.gz BEPBUOJYQBKIPW-KGLIPLIRSA-N 1 0 396.443 4.238 20 0 GIADRO C[N@H+](CCC(=O)NC(c1ccccc1)c1ccccc1)Cc1ccc(Cl)nc1 ZINC000174584135 822808301 /nfs/dbraw/zinc/80/83/01/822808301.db2.gz QSYDGXNFELYWQU-UHFFFAOYSA-N 1 0 393.918 4.463 20 0 GIADRO C[C@H]1CCN(C(=O)Nc2ccccc2N2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000174589484 822808919 /nfs/dbraw/zinc/80/89/19/822808919.db2.gz XSLDUHNIGIDUIE-FQEVSTJZSA-N 1 0 392.547 4.415 20 0 GIADRO COC(=O)COc1ccc([C@H](C)[NH2+][C@H](C)c2cccc(Br)c2)cc1 ZINC000185686367 822810085 /nfs/dbraw/zinc/81/00/85/822810085.db2.gz JFRHNTRFAJQHMZ-UONOGXRCSA-N 1 0 392.293 4.413 20 0 GIADRO OC1(c2cccnc2)CCC([NH2+]Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000185690325 822810440 /nfs/dbraw/zinc/81/04/40/822810440.db2.gz QKRDIDAEEMGJHZ-UHFFFAOYSA-N 1 0 383.492 4.264 20 0 GIADRO COc1ccc(C[NH2+]C[C@H](C)Oc2ccccc2F)cc1OCc1cccnc1 ZINC000174602110 822810710 /nfs/dbraw/zinc/81/07/10/822810710.db2.gz KBQKAXGWSXTTQL-KRWDZBQOSA-N 1 0 396.462 4.365 20 0 GIADRO COC(=O)COc1ccc([C@H](C)[NH2+]Cc2ccc(Cl)c3cccnc23)cc1 ZINC000185699880 822811586 /nfs/dbraw/zinc/81/15/86/822811586.db2.gz LKEJFQLTUAJSBT-AWEZNQCLSA-N 1 0 384.863 4.291 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)N3Cc4ccccc4C[C@@H]3C)c(C)c2)CC1 ZINC000174607739 822811792 /nfs/dbraw/zinc/81/17/92/822811792.db2.gz RQSVBISOXHMVDA-IBGZPJMESA-N 1 0 392.547 4.116 20 0 GIADRO C[NH+]1CCC(C(=O)N[C@H](Cc2ccccc2)c2nc3ccccc3s2)CC1 ZINC000456525958 822813097 /nfs/dbraw/zinc/81/30/97/822813097.db2.gz RJWUGVJHJWNLSH-LJQANCHMSA-N 1 0 379.529 4.038 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)N3C[C@@H](C)[C@H]3c3ccccc3)c2)CC1 ZINC000185714565 822813377 /nfs/dbraw/zinc/81/33/77/822813377.db2.gz GWRNAPKGMVKEMQ-GCJKJVERSA-N 1 0 378.520 4.053 20 0 GIADRO C[C@H](NCc1nn(-c2ccc(F)cc2)c2c1CCC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185715437 822813549 /nfs/dbraw/zinc/81/35/49/822813549.db2.gz BUUPJQHFPXXEPE-ROUUACIJSA-N 1 0 396.554 4.243 20 0 GIADRO CCc1cnc(CC[NH2+]CC2=Cc3cc(Br)ccc3OC2)s1 ZINC000174624216 822813876 /nfs/dbraw/zinc/81/38/76/822813876.db2.gz LLFNORLYWXWESV-UHFFFAOYSA-N 1 0 379.323 4.076 20 0 GIADRO CCOc1ccc(NC(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)cc1OC ZINC000174633434 822815231 /nfs/dbraw/zinc/81/52/31/822815231.db2.gz LFHJZHQFDSLMAZ-GOSISDBHSA-N 1 0 397.519 4.222 20 0 GIADRO C[C@H](NCc1cc(=O)oc2cc3c(cc12)CCC3)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185728378 822815261 /nfs/dbraw/zinc/81/52/61/822815261.db2.gz WGVVLCQBGWVMLZ-QFBILLFUSA-N 1 0 380.532 4.024 20 0 GIADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1c(C)oc2ccccc21 ZINC000185732135 822815725 /nfs/dbraw/zinc/81/57/25/822815725.db2.gz DJIPBYVHCNSVNI-UHFFFAOYSA-N 1 0 393.487 4.144 20 0 GIADRO C[C@H](O)C[C@H](C[NH2+][C@@H](C)c1ccc(Br)cc1O)c1ccccc1 ZINC000185738678 822816216 /nfs/dbraw/zinc/81/62/16/822816216.db2.gz XWVAUJXROZIPCH-OFQRWUPVSA-N 1 0 378.310 4.360 20 0 GIADRO C[C@H](NCc1coc(-c2ccc(F)c(F)c2)n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185750200 822817428 /nfs/dbraw/zinc/81/74/28/822817428.db2.gz PPMYLQFPSJIPRQ-GOEBONIOSA-N 1 0 375.463 4.362 20 0 GIADRO COc1ccc([C@H]([NH2+][C@H]2CCC[C@H](C)C2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000174649797 822817618 /nfs/dbraw/zinc/81/76/18/822817618.db2.gz XIWOUTPVOGWAMA-BPXKWBHBSA-N 1 0 387.545 4.356 20 0 GIADRO Cc1c(Cl)cccc1NC(=O)[C@H](C)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185760637 822818542 /nfs/dbraw/zinc/81/85/42/822818542.db2.gz SWTVPMWYHVDQRO-YESZJQIVSA-N 1 0 377.960 4.218 20 0 GIADRO CSc1cc(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)ccc1NC(C)=O ZINC000053016762 822818631 /nfs/dbraw/zinc/81/86/31/822818631.db2.gz LQDICDJYFONRPO-UHFFFAOYSA-N 1 0 399.560 4.137 20 0 GIADRO C[C@@H](NCC(=O)Nc1ccc(SC(F)F)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185764989 822818894 /nfs/dbraw/zinc/81/88/94/822818894.db2.gz JOQZFKDPGNJLRH-HUUCEWRRSA-N 1 0 397.535 4.182 20 0 GIADRO O=C(NCc1ccc(F)cc1)C1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000053049679 822819733 /nfs/dbraw/zinc/81/97/33/822819733.db2.gz WNTITMAHRVZBMX-UHFFFAOYSA-N 1 0 394.412 4.373 20 0 GIADRO CN(Cc1csc(-c2ccsc2)n1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000174659310 822819765 /nfs/dbraw/zinc/81/97/65/822819765.db2.gz MKSHWDUXJFXRNM-UHFFFAOYSA-N 1 0 398.601 4.406 20 0 GIADRO Cc1oc(-c2cccs2)nc1CN(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000174659216 822819787 /nfs/dbraw/zinc/81/97/87/822819787.db2.gz HZCMFVGSTDZQOU-UHFFFAOYSA-N 1 0 396.560 4.245 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(NC(C)=O)cc1 ZINC000174660312 822819864 /nfs/dbraw/zinc/81/98/64/822819864.db2.gz SVWJYZJIMUQZCW-FQEVSTJZSA-N 1 0 394.519 4.021 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(NC(C)=O)cc1 ZINC000174660299 822819880 /nfs/dbraw/zinc/81/98/80/822819880.db2.gz SVWJYZJIMUQZCW-HXUWFJFHSA-N 1 0 394.519 4.021 20 0 GIADRO COc1ccc2[nH]cc(C3=CC[N@H+](CC(=O)N([C@H](C)C4CC4)C4CC4)CC3)c2c1 ZINC000053075831 822820362 /nfs/dbraw/zinc/82/03/62/822820362.db2.gz AJLRZIUBBNNRGM-MRXNPFEDSA-N 1 0 393.531 4.055 20 0 GIADRO CC[N@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)[C@@H](C)c1ccc(F)cc1 ZINC000053088783 822821196 /nfs/dbraw/zinc/82/11/96/822821196.db2.gz ITXHVEYFINNCFG-HNAYVOBHSA-N 1 0 388.446 4.446 20 0 GIADRO C[C@@H](C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1)c1cn(C)c2ccccc12 ZINC000185787335 822821286 /nfs/dbraw/zinc/82/12/86/822821286.db2.gz FNIIEINLTJOUBQ-QZTJIDSGSA-N 1 0 390.531 4.019 20 0 GIADRO Cc1cccc(COc2cccc(CC(=O)NC3CC[NH+](C4CCC4)CC3)c2)c1 ZINC000456680632 822821955 /nfs/dbraw/zinc/82/19/55/822821955.db2.gz FOQYAWYXLUFEBE-UHFFFAOYSA-N 1 0 392.543 4.250 20 0 GIADRO C[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)[C@H]1CCCN(c2ccccc2)C1 ZINC000174677502 822822072 /nfs/dbraw/zinc/82/20/72/822822072.db2.gz BBEYIPGBTBLNJP-KRWDZBQOSA-N 1 0 391.437 4.245 20 0 GIADRO Nc1ccc(F)c(NC(=O)CC[NH+]2CCC(c3ccc(Cl)cc3)CC2)c1 ZINC000185798122 822822101 /nfs/dbraw/zinc/82/21/01/822822101.db2.gz VXSZOSJIOIKJTJ-UHFFFAOYSA-N 1 0 375.875 4.270 20 0 GIADRO COc1ccccc1NC(=O)C[NH2+][C@H](C)[C@@H](C)c1ccccc1C(F)(F)F ZINC000185799220 822822106 /nfs/dbraw/zinc/82/21/06/822822106.db2.gz DXJCUEYDLHBRNK-ZIAGYGMSSA-N 1 0 380.410 4.434 20 0 GIADRO O=C(CCCC(=O)c1ccc(Cl)c(Cl)c1)NC1CC[NH+](C2CCC2)CC1 ZINC000456682023 822822147 /nfs/dbraw/zinc/82/21/47/822822147.db2.gz JQLVXAQFZYOYHL-UHFFFAOYSA-N 1 0 397.346 4.480 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)c1ccc2cc(Br)ccc2c1 ZINC000456681181 822822163 /nfs/dbraw/zinc/82/21/63/822822163.db2.gz GQJPGEJGCSYJIZ-UHFFFAOYSA-N 1 0 387.321 4.349 20 0 GIADRO CC(C)c1noc(-c2ccnc(NCc3cccc(C[NH+]4CCCC4)c3)c2)n1 ZINC000174679318 822822328 /nfs/dbraw/zinc/82/23/28/822822328.db2.gz KSSPUHKTNHHVRV-UHFFFAOYSA-N 1 0 377.492 4.463 20 0 GIADRO CC(C)C[C@H](CO)N(C)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000185802204 822822396 /nfs/dbraw/zinc/82/23/96/822822396.db2.gz NUYMNJWRODGETB-HXUWFJFHSA-N 1 0 375.557 4.322 20 0 GIADRO Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000174685347 822823154 /nfs/dbraw/zinc/82/31/54/822823154.db2.gz LWPDHDWPGGUMLB-OLZOCXBDSA-N 1 0 394.302 4.266 20 0 GIADRO Cc1ccc(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1NC(=O)c1ccccc1 ZINC000053160477 822824284 /nfs/dbraw/zinc/82/42/84/822824284.db2.gz YMVIKOYAMBFNGL-PKOBYXMFSA-N 1 0 393.531 4.098 20 0 GIADRO C[NH+]1CCC(Nc2ccccc2NC(=O)[C@@H]2C[C@]23CCCc2ccccc23)CC1 ZINC000174694651 822824456 /nfs/dbraw/zinc/82/44/56/822824456.db2.gz SZWTXKDFXKZULT-OFVILXPXSA-N 1 0 389.543 4.425 20 0 GIADRO CC[NH+](CC)CCOc1ccc(C(=O)N2C[C@@H]3CCC(=O)c4cccc2c43)cc1 ZINC000185823579 822824520 /nfs/dbraw/zinc/82/45/20/822824520.db2.gz GXPQISFWZXILJO-SFHVURJKSA-N 1 0 392.499 4.128 20 0 GIADRO C[C@H](c1ccccc1C(F)(F)F)[C@H](C)[NH2+]CC(=O)Nc1cccnc1Cl ZINC000185829579 822825168 /nfs/dbraw/zinc/82/51/68/822825168.db2.gz ZLZPRLGXMCXBDR-RYUDHWBXSA-N 1 0 385.817 4.474 20 0 GIADRO Cc1c(C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)oc2c1C(=O)CCC2 ZINC000053187610 822825317 /nfs/dbraw/zinc/82/53/17/822825317.db2.gz RHYMWXYJPNYLGF-INIZCTEOSA-N 1 0 394.515 4.411 20 0 GIADRO Cc1c(C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)cnn1C(C)(C)C ZINC000053187642 822825499 /nfs/dbraw/zinc/82/54/99/822825499.db2.gz KHGROJHNTLLLCC-QGZVFWFLSA-N 1 0 382.552 4.251 20 0 GIADRO C[NH+](C)Cc1cccc(C(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)c1 ZINC000174706532 822826191 /nfs/dbraw/zinc/82/61/91/822826191.db2.gz SVCVDFBGMFWPSH-UHFFFAOYSA-N 1 0 379.504 4.017 20 0 GIADRO C[NH+](C)Cc1cccc(C(=O)Nc2ccc(OCc3ccccn3)c(F)c2)c1 ZINC000174707527 822826300 /nfs/dbraw/zinc/82/63/00/822826300.db2.gz GQVIWLDAVMINOP-UHFFFAOYSA-N 1 0 379.435 4.114 20 0 GIADRO CC(C)CN(C(=O)c1cc(C2CC2)nc2onc(C(C)C)c21)C1CC[NH+](C)CC1 ZINC000053232471 822827166 /nfs/dbraw/zinc/82/71/66/822827166.db2.gz KLZKOYLAPYZZHK-UHFFFAOYSA-N 1 0 398.551 4.416 20 0 GIADRO Cc1cnc(CCCC(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)o1 ZINC000456782248 822830513 /nfs/dbraw/zinc/83/05/13/822830513.db2.gz KVPFCEZMUNARMG-UHFFFAOYSA-N 1 0 391.899 4.071 20 0 GIADRO O=C(NC1(Cc2ccccc2)CCOCC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000456783260 822830545 /nfs/dbraw/zinc/83/05/45/822830545.db2.gz BKIRPVNTKPVNRI-UHFFFAOYSA-N 1 0 392.543 4.194 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)CCCC2CCOCC2)CC1 ZINC000456787914 822830977 /nfs/dbraw/zinc/83/09/77/822830977.db2.gz GZAUCQODVSHFMZ-UHFFFAOYSA-N 1 0 394.943 4.348 20 0 GIADRO CC(C)n1cccc1C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000456794096 822831818 /nfs/dbraw/zinc/83/18/18/822831818.db2.gz RKLGEGIDHXDANP-UHFFFAOYSA-N 1 0 375.900 4.448 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1ccc(-c2cncnc2)cc1F ZINC000185905220 822832066 /nfs/dbraw/zinc/83/20/66/822832066.db2.gz ZPVYGCQWSWAULY-UHFFFAOYSA-N 1 0 392.478 4.007 20 0 GIADRO COc1ccccc1Oc1ccc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000174749874 822832167 /nfs/dbraw/zinc/83/21/67/822832167.db2.gz GSRMEKXPQKWHKX-WMZOPIPTSA-N 1 0 383.492 4.434 20 0 GIADRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)Nc1cccc(-c2cc[nH]n2)c1 ZINC000185937674 822835208 /nfs/dbraw/zinc/83/52/08/822835208.db2.gz QPDPYGNGWWDOKF-INIZCTEOSA-N 1 0 395.532 4.172 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)Cc2ncc(-c3ccccc3Br)o2)[C@H](C)C1 ZINC000174775259 822835568 /nfs/dbraw/zinc/83/55/68/822835568.db2.gz IQGZKTSUTIHYJD-RHSMWYFYSA-N 1 0 392.341 4.266 20 0 GIADRO C[C@@H](NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)c1nc(-c2ccccc2)cs1 ZINC000174791382 822837436 /nfs/dbraw/zinc/83/74/36/822837436.db2.gz BGIIHEFGQHSKQZ-SJLPKXTDSA-N 1 0 386.565 4.387 20 0 GIADRO O=C(NC[C@@H](c1ccccc1)C(F)(F)F)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000185962750 822838201 /nfs/dbraw/zinc/83/82/01/822838201.db2.gz CSSDVZHHXCFSLW-IRXDYDNUSA-N 1 0 395.425 4.062 20 0 GIADRO C[C@H]1C[C@@H](NC(=O)Nc2cccc(-c3cc[nH]n3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000185965374 822838636 /nfs/dbraw/zinc/83/86/36/822838636.db2.gz FXRHCJDQBDHIAZ-UWJYYQICSA-N 1 0 389.503 4.251 20 0 GIADRO CN(Cc1ccc(Cl)s1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000053523745 822838722 /nfs/dbraw/zinc/83/87/22/822838722.db2.gz XKHXUTZIVTYPKI-HNNXBMFYSA-N 1 0 381.929 4.363 20 0 GIADRO CN(Cc1ccc(Cl)s1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000053523752 822838759 /nfs/dbraw/zinc/83/87/59/822838759.db2.gz XKHXUTZIVTYPKI-OAHLLOKOSA-N 1 0 381.929 4.363 20 0 GIADRO CCN(Cc1ccc(Cl)s1)C(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000053539910 822839693 /nfs/dbraw/zinc/83/96/93/822839693.db2.gz WLJJJBZRBBUTTH-QGZVFWFLSA-N 1 0 395.956 4.245 20 0 GIADRO CC[C@@H]([NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1nc(C(F)(F)F)cs1 ZINC000185977020 822840070 /nfs/dbraw/zinc/84/00/70/822840070.db2.gz VPDLQKGBDAAXNL-VXGBXAGGSA-N 1 0 393.475 4.460 20 0 GIADRO Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000174807833 822840165 /nfs/dbraw/zinc/84/01/65/822840165.db2.gz KZTMDQUENHBBLZ-UXHICEINSA-N 1 0 397.494 4.414 20 0 GIADRO COc1cccc([C@H](CNC(=O)N(C)Cc2sccc2C)[NH+]2CCCC2)c1 ZINC000053553061 822840581 /nfs/dbraw/zinc/84/05/81/822840581.db2.gz LIHWZQBFVWYSCM-IBGZPJMESA-N 1 0 387.549 4.044 20 0 GIADRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2cc(-c3ccccc3)ccc2Cl)CC1 ZINC000456906972 822841121 /nfs/dbraw/zinc/84/11/21/822841121.db2.gz VQAQYCHGALUMJV-UHFFFAOYSA-N 1 0 399.966 4.153 20 0 GIADRO C[N@H+](CC(=O)Nc1cccc2ccccc21)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000174824753 822842406 /nfs/dbraw/zinc/84/24/06/822842406.db2.gz QMAVGOSJGDUIBG-UHFFFAOYSA-N 1 0 397.519 4.110 20 0 GIADRO CCN(CC)C(=O)c1ccc(NC(=O)C[NH2+][C@H](c2ccccc2)C(C)(C)C)cc1 ZINC000053618008 822842918 /nfs/dbraw/zinc/84/29/18/822842918.db2.gz KKZWTEWOMKANPG-JOCHJYFZSA-N 1 0 395.547 4.484 20 0 GIADRO CC(=O)N[C@H](CC(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1)c1cccs1 ZINC000053618540 822843060 /nfs/dbraw/zinc/84/30/60/822843060.db2.gz LRBNLXMVUJIJHT-HXUWFJFHSA-N 1 0 399.560 4.186 20 0 GIADRO COc1ccccc1Oc1ccc(CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000174834637 822843686 /nfs/dbraw/zinc/84/36/86/822843686.db2.gz STSGJQSXNZRXTC-MJGOQNOKSA-N 1 0 397.519 4.112 20 0 GIADRO O=C(C1CC[NH+](CCCOc2cccc(C(F)(F)F)c2)CC1)C(F)(F)F ZINC000186017505 822844251 /nfs/dbraw/zinc/84/42/51/822844251.db2.gz MAKBBYBDDVETMK-UHFFFAOYSA-N 1 0 383.332 4.318 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CCc2nc(C(C)(C)C)no2)cc1 ZINC000053721894 822846220 /nfs/dbraw/zinc/84/62/20/822846220.db2.gz XHWHTAWFYPDERL-MRXNPFEDSA-N 1 0 384.524 4.313 20 0 GIADRO C[C@H]([NH2+]CCc1nc2c(cccc2F)n1C)c1ccc(Br)cc1O ZINC000186039314 822846291 /nfs/dbraw/zinc/84/62/91/822846291.db2.gz ZXRMHHPBQOPIAF-NSHDSACASA-N 1 0 392.272 4.074 20 0 GIADRO CCc1ccc([C@H]([NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)C(C)C)cc1 ZINC000186040732 822846488 /nfs/dbraw/zinc/84/64/88/822846488.db2.gz DBKXODMTGOHEAW-JOCHJYFZSA-N 1 0 386.561 4.276 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)N[C@@H]1CCCOc2ccc(F)cc21 ZINC000053751934 822847036 /nfs/dbraw/zinc/84/70/36/822847036.db2.gz RAYAYDVJDJBGFA-OAQYLSRUSA-N 1 0 397.494 4.003 20 0 GIADRO CC(C)c1ccc(C(=O)Nc2ccc(C(=O)N(C)[C@H]3CCC[N@H+](C)C3)cc2)s1 ZINC000186050263 822847305 /nfs/dbraw/zinc/84/73/05/822847305.db2.gz DLGUSHFFGSCNLC-SFHVURJKSA-N 1 0 399.560 4.290 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(F)cc1OC ZINC000174857935 822847409 /nfs/dbraw/zinc/84/74/09/822847409.db2.gz CNWAGTBXQOHOTH-SFHVURJKSA-N 1 0 385.483 4.210 20 0 GIADRO CC(C)(C[NH+]1CCCC1)NC(=O)CCC(=O)c1cc(Cl)sc1Cl ZINC000457056299 822848578 /nfs/dbraw/zinc/84/85/78/822848578.db2.gz SVDQTFLYQXZWNM-UHFFFAOYSA-N 1 0 377.337 4.008 20 0 GIADRO C[C@@H](CSc1ccccc1)C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457062285 822849017 /nfs/dbraw/zinc/84/90/17/822849017.db2.gz AFSSDJCDOSZOHZ-HNNXBMFYSA-N 1 0 388.499 4.290 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)NCc2ccc(C(=O)OC(C)(C)C)cc2)c1 ZINC000174870770 822849101 /nfs/dbraw/zinc/84/91/01/822849101.db2.gz LRZPKZUUNUEFOF-UHFFFAOYSA-N 1 0 383.492 4.025 20 0 GIADRO CN(C(=O)[C@@H]1CCC[C@H]1c1ccccc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457075047 822850370 /nfs/dbraw/zinc/85/03/70/822850370.db2.gz VUJBCHILCOGVDP-RBUKOAKNSA-N 1 0 382.470 4.446 20 0 GIADRO CN(C(=O)c1ccc(Cl)cc1Cl)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457081094 822850965 /nfs/dbraw/zinc/85/09/65/822850965.db2.gz HECBIVAIQMXBLJ-UHFFFAOYSA-N 1 0 383.241 4.482 20 0 GIADRO CCCCOc1c(Cl)cc(C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)cc1OC ZINC000457082680 822851175 /nfs/dbraw/zinc/85/11/75/822851175.db2.gz ISKIGKMFTYPODW-INIZCTEOSA-N 1 0 382.932 4.082 20 0 GIADRO CN(C(=O)Cc1ccc(C(C)(C)C)cc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457089313 822852175 /nfs/dbraw/zinc/85/21/75/822852175.db2.gz TWQDMOHYOIWZAK-UHFFFAOYSA-N 1 0 384.486 4.402 20 0 GIADRO CN(C(=O)[C@@]1(C)CCCc2ccccc21)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457089258 822852233 /nfs/dbraw/zinc/85/22/33/822852233.db2.gz SUERFBRCRNSGRU-FQEVSTJZSA-N 1 0 382.470 4.156 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)c1cn(-c2ccccc2)nn1 ZINC000186112647 822852626 /nfs/dbraw/zinc/85/26/26/822852626.db2.gz UARBPJAUIHCJEH-QWHCGFSZSA-N 1 0 387.281 4.147 20 0 GIADRO Cc1ccc(SCCC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000457092350 822852710 /nfs/dbraw/zinc/85/27/10/822852710.db2.gz XLVDRVHOTHZKBQ-UHFFFAOYSA-N 1 0 388.499 4.352 20 0 GIADRO COc1ccsc1[C@@H](C)[NH2+]Cc1ccc(OCCOc2ccccc2)nc1 ZINC000186116147 822853088 /nfs/dbraw/zinc/85/30/88/822853088.db2.gz UJKFRFQYRBCXIE-MRXNPFEDSA-N 1 0 384.501 4.460 20 0 GIADRO OCCC[N@H+](Cc1ccc(Br)cn1)[C@@H]1CCCc2ccccc21 ZINC000174908981 822854227 /nfs/dbraw/zinc/85/42/27/822854227.db2.gz GWELLCVMBFFQTJ-LJQANCHMSA-N 1 0 375.310 4.106 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CSc1ccc(F)c(F)c1 ZINC000174917707 822855787 /nfs/dbraw/zinc/85/57/87/822855787.db2.gz TZKFHQXBUFGHLQ-QGZVFWFLSA-N 1 0 390.499 4.037 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1sccc1-n1cccc1 ZINC000174918551 822855923 /nfs/dbraw/zinc/85/59/23/822855923.db2.gz QCVPVUMIZZLECH-IBGZPJMESA-N 1 0 379.529 4.133 20 0 GIADRO Cc1onc(-c2ccccc2)c1C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174917811 822855970 /nfs/dbraw/zinc/85/59/70/822855970.db2.gz LDGFQLLFYHKUJC-HXUWFJFHSA-N 1 0 389.499 4.244 20 0 GIADRO O=C(CSc1ccc2ccccc2c1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000053990649 822856061 /nfs/dbraw/zinc/85/60/61/822856061.db2.gz CZFTUWIEXKMZDC-UHFFFAOYSA-N 1 0 391.540 4.108 20 0 GIADRO COc1ccsc1[C@H](C)[NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1 ZINC000186164761 822857297 /nfs/dbraw/zinc/85/72/97/822857297.db2.gz PGBSFPXEBHEWDH-HNNXBMFYSA-N 1 0 396.516 4.324 20 0 GIADRO COc1ccc(SCCC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000174932728 822857705 /nfs/dbraw/zinc/85/77/05/822857705.db2.gz SSMGWXZCPIZHLT-HXUWFJFHSA-N 1 0 398.572 4.158 20 0 GIADRO Cc1nc(-c2ccco2)ccc1C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174934931 822857854 /nfs/dbraw/zinc/85/78/54/822857854.db2.gz LWWNFOVPYAEUKW-FQEVSTJZSA-N 1 0 389.499 4.244 20 0 GIADRO C[C@@]1(C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CCCC[C@H]1O ZINC000174936576 822858172 /nfs/dbraw/zinc/85/81/72/822858172.db2.gz WQUKDANFHBFPIG-VWNXMTODSA-N 1 0 390.531 4.024 20 0 GIADRO COc1cccc(F)c1NC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000186176974 822858211 /nfs/dbraw/zinc/85/82/11/822858211.db2.gz CYGWGCBHDXTGFW-UHFFFAOYSA-N 1 0 379.863 4.083 20 0 GIADRO C[N@H+](CCCCNC(=O)CCC(=O)c1cc(Cl)sc1Cl)C1CC1 ZINC000457173035 822858934 /nfs/dbraw/zinc/85/89/34/822858934.db2.gz VIBUGUCRMHAKLT-UHFFFAOYSA-N 1 0 377.337 4.008 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(-c2ccccc2)n1C ZINC000174943189 822859195 /nfs/dbraw/zinc/85/91/95/822859195.db2.gz KQXAKZYCNFLMAV-NRFANRHFSA-N 1 0 387.527 4.286 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)c2ccc(F)cc2Br)c1 ZINC000054032327 822859671 /nfs/dbraw/zinc/85/96/71/822859671.db2.gz NHCZSVKNBCOUJM-UHFFFAOYSA-N 1 0 393.300 4.360 20 0 GIADRO O=C(c1ccccn1)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457191932 822859724 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GIADRO O=C(c1cccnc1)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457197195 822860208 /nfs/dbraw/zinc/86/02/08/822860208.db2.gz TVUYYEDPWYNDRW-HSZRJFAPSA-N 1 0 377.532 4.379 20 0 GIADRO Cc1ncncc1C(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457197165 822860218 /nfs/dbraw/zinc/86/02/18/822860218.db2.gz SRRDGZZCRRBFJW-QHCPKHFHSA-N 1 0 392.547 4.082 20 0 GIADRO C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)NC(C)(C)C[NH+](C)C ZINC000457205983 822860645 /nfs/dbraw/zinc/86/06/45/822860645.db2.gz LCXZLBIOARHVHH-CYBMUJFWSA-N 1 0 395.956 4.073 20 0 GIADRO CC(C)c1nc([C@@H](C)[NH2+]C[C@@H](c2ccc(F)cc2)N2CCOCC2)cs1 ZINC000186205527 822860742 /nfs/dbraw/zinc/86/07/42/822860742.db2.gz ZUGIURKXBPNOSG-BEFAXECRSA-N 1 0 377.529 4.130 20 0 GIADRO CC[C@H](Cc1cccc(Br)c1)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000457213403 822861017 /nfs/dbraw/zinc/86/10/17/822861017.db2.gz YXTWSTHSLPWDFV-MRXNPFEDSA-N 1 0 381.358 4.008 20 0 GIADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000174961455 822861734 /nfs/dbraw/zinc/86/17/34/822861734.db2.gz CXUUEHLRQGSFPB-GTNSWQLSSA-N 1 0 391.314 4.103 20 0 GIADRO Cc1ccc(NC(=O)C/C=C/c2ccccc2F)cc1NC(=O)CC[NH+](C)C ZINC000186220039 822861906 /nfs/dbraw/zinc/86/19/06/822861906.db2.gz QRNULNVQBVAOEH-SOFGYWHQSA-N 1 0 383.467 4.066 20 0 GIADRO COc1cccc(F)c1NC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000186224157 822862338 /nfs/dbraw/zinc/86/23/38/822862338.db2.gz VDWQJIZXMUKOCN-INIZCTEOSA-N 1 0 377.504 4.343 20 0 GIADRO COC[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1O)c1ccc(F)c(F)c1 ZINC000186226011 822862414 /nfs/dbraw/zinc/86/24/14/822862414.db2.gz UQFMICFTZUVUHF-MGPLVRAMSA-N 1 0 386.236 4.471 20 0 GIADRO COc1ccccc1/C(C)=C/C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174971302 822862856 /nfs/dbraw/zinc/86/28/56/822862856.db2.gz SAQSNYNTFVIZMI-DQYQWZCESA-N 1 0 378.516 4.079 20 0 GIADRO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000186232867 822863176 /nfs/dbraw/zinc/86/31/76/822863176.db2.gz JVGPTPSKULMJBN-KBXCAEBGSA-N 1 0 379.909 4.006 20 0 GIADRO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000186234821 822863503 /nfs/dbraw/zinc/86/35/03/822863503.db2.gz TWRKSXDPWQOVPY-QGZVFWFLSA-N 1 0 397.544 4.106 20 0 GIADRO CC[NH+]1CCN(Cc2ccccc2CN[C@H](C)c2csc(C(C)C)n2)CC1 ZINC000186250742 822865059 /nfs/dbraw/zinc/86/50/59/822865059.db2.gz DDWKFMWRCKJQKM-GOSISDBHSA-N 1 0 386.609 4.255 20 0 GIADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)Nc3ccc(-c4ccc(Cl)s4)nc3)C[C@H]21 ZINC000568963709 822865745 /nfs/dbraw/zinc/86/57/45/822865745.db2.gz KNZZFFQHBYGGJX-MRVWCRGKSA-N 1 0 376.913 4.055 20 0 GIADRO Cc1ccc(NC(=O)C[C@@H]2CCCc3ccccc32)cc1NC(=O)CC[NH+](C)C ZINC000186256184 822865743 /nfs/dbraw/zinc/86/57/43/822865743.db2.gz FBZKRJNQEPIAKM-IBGZPJMESA-N 1 0 393.531 4.334 20 0 GIADRO CC(C)c1noc2nc(C3CC3)cc(C(=O)N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C(C)C)c21 ZINC000175005604 822866055 /nfs/dbraw/zinc/86/60/55/822866055.db2.gz JSDVGJQKSBTURC-SJORKVTESA-N 1 0 396.535 4.311 20 0 GIADRO Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)cc1NC(=O)CC[NH+](C)C ZINC000186261714 822866494 /nfs/dbraw/zinc/86/64/94/822866494.db2.gz NSCPLGSSYFNBDP-MOPGFXCFSA-N 1 0 399.922 4.281 20 0 GIADRO O=C(NCCc1cccc(Cl)c1Cl)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000568973148 822866841 /nfs/dbraw/zinc/86/68/41/822866841.db2.gz QQQDXIDKGONSCS-UHFFFAOYSA-N 1 0 382.266 4.142 20 0 GIADRO CC(C)c1ccccc1OC[C@H](O)C[NH2+][C@H](C)c1nccn1-c1ccccc1 ZINC000568977081 822866916 /nfs/dbraw/zinc/86/69/16/822866916.db2.gz MMJZUGPWYLJRFQ-UYAOXDASSA-N 1 0 379.504 4.086 20 0 GIADRO C[C@@H](c1cccc(O)c1)N(C)C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000186268355 822867575 /nfs/dbraw/zinc/86/75/75/822867575.db2.gz KGEYYBRHGUMPQU-JTSKRJEESA-N 1 0 381.520 4.005 20 0 GIADRO CC(C)c1ccccc1OC[C@@H](O)C[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000568991854 822867903 /nfs/dbraw/zinc/86/79/03/822867903.db2.gz SHRUNYMEGHPGLC-ACBHZAAOSA-N 1 0 391.552 4.040 20 0 GIADRO Cc1ccc(NC(=O)c2cccc(C(F)F)c2)cc1NC(=O)CC[NH+](C)C ZINC000186272497 822868166 /nfs/dbraw/zinc/86/81/66/822868166.db2.gz LNYOSFRQEQJDOZ-UHFFFAOYSA-N 1 0 375.419 4.075 20 0 GIADRO COc1ccc(C[NH+]2CCC(NC(=O)Nc3cccc(F)c3C)CC2)cc1F ZINC000175020114 822868681 /nfs/dbraw/zinc/86/86/81/822868681.db2.gz HERHEQVZFJUDON-UHFFFAOYSA-N 1 0 389.446 4.068 20 0 GIADRO COC(=O)c1sccc1C[NH2+][C@H]1CCN(C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000569010256 822869226 /nfs/dbraw/zinc/86/92/26/822869226.db2.gz IWXQRNVNSMXGFW-ROUUACIJSA-N 1 0 394.487 4.127 20 0 GIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccc(Br)cc2F)C1 ZINC000054224740 822869474 /nfs/dbraw/zinc/86/94/74/822869474.db2.gz WMZUCDFVMCDPLZ-BBRMVZONSA-N 1 0 391.284 4.154 20 0 GIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CCCc2c[nH]c3ccccc23)C1 ZINC000054226470 822869872 /nfs/dbraw/zinc/86/98/72/822869872.db2.gz SHEFLZUPXBHKDQ-RXVVDRJESA-N 1 0 375.516 4.442 20 0 GIADRO COc1ccc(S[C@@H](C)C(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)cc1 ZINC000175025302 822869895 /nfs/dbraw/zinc/86/98/95/822869895.db2.gz RJODEUNNYJASJB-SFHVURJKSA-N 1 0 398.572 4.299 20 0 GIADRO Brc1cccc(-c2c[nH]c(C[NH2+]CCC[C@H]3CCCCO3)n2)c1 ZINC000186283546 822870329 /nfs/dbraw/zinc/87/03/29/822870329.db2.gz QVJHGXCRKUOZMC-MRXNPFEDSA-N 1 0 378.314 4.278 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)CC1 ZINC000175027265 822870411 /nfs/dbraw/zinc/87/04/11/822870411.db2.gz PGORQTLFPFTTOB-LEWJYISDSA-N 1 0 384.470 4.191 20 0 GIADRO CC[C@H](CC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H]([NH3+])C1)c1ccc(OC)cc1 ZINC000457362007 822870469 /nfs/dbraw/zinc/87/04/69/822870469.db2.gz IUSDWEWIJJCHJE-URZJWIJPSA-N 1 0 384.495 4.061 20 0 GIADRO O=C1CCCN1[C@@H]1CCC[C@H]([NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000569021371 822870472 /nfs/dbraw/zinc/87/04/72/822870472.db2.gz WPVMZYXXUJPIFB-DAYGRLMNSA-N 1 0 381.442 4.001 20 0 GIADRO Cc1ccc(-c2cnc(CCC(=O)N3CC[C@@H]4CC[C@H](C3)[N@@H+]4C(C)C)o2)cc1 ZINC000175030760 822870920 /nfs/dbraw/zinc/87/09/20/822870920.db2.gz IQBKIOGOKWKCDP-VQTJNVASSA-N 1 0 381.520 4.056 20 0 GIADRO C[C@H](NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)c1ccc(F)c(F)c1 ZINC000457372086 822871153 /nfs/dbraw/zinc/87/11/53/822871153.db2.gz HRXWFOOZDTZHMR-LBPRGKRZSA-N 1 0 393.400 4.084 20 0 GIADRO [NH3+][C@H]1CN(C(=O)c2ccccc2CCC(F)(F)F)CC[C@H]1c1ccc(F)cc1 ZINC000457373631 822871176 /nfs/dbraw/zinc/87/11/76/822871176.db2.gz VJQGDEKVCJRAOU-HKUYNNGSSA-N 1 0 394.412 4.278 20 0 GIADRO CC(C)(C)C1=CC[N@H+](CCNC(=O)Cc2csc(-c3ccccc3)n2)CC1 ZINC000569030358 822871183 /nfs/dbraw/zinc/87/11/83/822871183.db2.gz QSGKXCXILSZTLE-UHFFFAOYSA-N 1 0 383.561 4.147 20 0 GIADRO Cc1csc(-c2cccc(C(=O)N3CC[C@H](c4ccc(F)cc4)[C@H]([NH3+])C3)c2)n1 ZINC000457375641 822871357 /nfs/dbraw/zinc/87/13/57/822871357.db2.gz YFFRKLGBEJSBOT-WOJBJXKFSA-N 1 0 395.503 4.215 20 0 GIADRO COc1ccc([C@@H]2CCN(C(=O)c3cccc(Cl)c3Cl)C[C@H]2[NH3+])cc1F ZINC000457377050 822871369 /nfs/dbraw/zinc/87/13/69/822871369.db2.gz MKSTWRYNVQZZFP-BLLLJJGKSA-N 1 0 397.277 4.098 20 0 GIADRO COc1ccc([C@H]2CCN(C(=O)c3occc3-c3ccccc3)C[C@@H]2[NH3+])cc1F ZINC000457379127 822871409 /nfs/dbraw/zinc/87/14/09/822871409.db2.gz NQRNHPJYIKDYDO-XLIONFOSSA-N 1 0 394.446 4.051 20 0 GIADRO Cc1ccc(C)c2c1CCC[C@H]2[NH2+]Cc1cccc(N2CCCS2(=O)=O)c1 ZINC000186289096 822871493 /nfs/dbraw/zinc/87/14/93/822871493.db2.gz VTRMNISXWQSBPD-OAQYLSRUSA-N 1 0 384.545 4.011 20 0 GIADRO COc1ccccc1[C@@H](NC(=O)N(C)CCC[NH+](C)C)c1ccccc1Cl ZINC000186291236 822871826 /nfs/dbraw/zinc/87/18/26/822871826.db2.gz WWUCUTLFDQQLMS-FQEVSTJZSA-N 1 0 389.927 4.031 20 0 GIADRO Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)Nc3cc(C)cc(C[NH3+])c3)c12 ZINC000457383856 822871906 /nfs/dbraw/zinc/87/19/06/822871906.db2.gz SKDUVUWYYHOBBM-UHFFFAOYSA-N 1 0 391.519 4.392 20 0 GIADRO CCOc1cc(C[NH2+]C[C@]2(C)OCCc3sccc32)ccc1OC(F)F ZINC000569040145 822872317 /nfs/dbraw/zinc/87/23/17/822872317.db2.gz XQXOAGVWAJXOQH-IBGZPJMESA-N 1 0 383.460 4.326 20 0 GIADRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1 ZINC000569041305 822872482 /nfs/dbraw/zinc/87/24/82/822872482.db2.gz RFMZAYPNEJHYLN-PMACEKPBSA-N 1 0 383.536 4.360 20 0 GIADRO C[C@@H](CC(F)(F)F)C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000457397809 822872759 /nfs/dbraw/zinc/87/27/59/822872759.db2.gz ILGSHFFZMRRLDR-ZDUSSCGKSA-N 1 0 396.375 4.328 20 0 GIADRO CCC(CC)(OC)c1noc([C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000569056155 822874593 /nfs/dbraw/zinc/87/45/93/822874593.db2.gz XRKWLFKDICZRNA-GOSISDBHSA-N 1 0 397.441 4.437 20 0 GIADRO O=C1CSc2cc(-c3nc(-c4cccc(C[NH+]5CCCC5)c4)no3)ccc2N1 ZINC000569055428 822874608 /nfs/dbraw/zinc/87/46/08/822874608.db2.gz FXJOSSHGZQDVIC-UHFFFAOYSA-N 1 0 392.484 4.044 20 0 GIADRO OC[C@@H]([NH2+]Cc1cscc1C(F)(F)F)c1cccc(Br)c1 ZINC000569057706 822874791 /nfs/dbraw/zinc/87/47/91/822874791.db2.gz CKXBOHVFYWDKJA-CYBMUJFWSA-N 1 0 380.229 4.353 20 0 GIADRO Cc1cc(Br)c(C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)s1 ZINC000457435008 822874834 /nfs/dbraw/zinc/87/48/34/822874834.db2.gz HWDYVBSSSNHRDL-STQMWFEESA-N 1 0 387.387 4.307 20 0 GIADRO CCN(C(=O)c1ccc(Cl)nc1Cl)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186321303 822876014 /nfs/dbraw/zinc/87/60/14/822876014.db2.gz JYNOYVKZGPUFHS-HNNXBMFYSA-N 1 0 378.303 4.125 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1)[C@@H](c1ccccc1)N(C)C ZINC000186320889 822876037 /nfs/dbraw/zinc/87/60/37/822876037.db2.gz IAITUVVLZHKPDT-GLDPYIMESA-N 1 0 392.547 4.341 20 0 GIADRO CC1(C)OCc2cc(C[NH+]3CCC(C(=O)Nc4ccc(F)cc4)CC3)ccc2O1 ZINC000186329768 822877038 /nfs/dbraw/zinc/87/70/38/822877038.db2.gz IKRLULNEVMOWGG-UHFFFAOYSA-N 1 0 398.478 4.322 20 0 GIADRO OC1(c2cccnc2)CCC([NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000186333126 822877429 /nfs/dbraw/zinc/87/74/29/822877429.db2.gz WMAHDAYNPPPRAB-DJSMFCCRSA-N 1 0 378.516 4.204 20 0 GIADRO CCN(C(=O)c1nc(Cl)ccc1Cl)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186337853 822877990 /nfs/dbraw/zinc/87/79/90/822877990.db2.gz FEPLSRAISSQBAA-HNNXBMFYSA-N 1 0 378.303 4.125 20 0 GIADRO C[C@H](NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)c1ccc(Cl)cc1 ZINC000457467288 822878100 /nfs/dbraw/zinc/87/81/00/822878100.db2.gz UULUQHIPFCBLMR-ZDUSSCGKSA-N 1 0 391.865 4.459 20 0 GIADRO Cc1cc(C)c(NC(=O)[C@@H](C)[NH2+][C@H](C)C2CCN(CC(F)(F)F)CC2)c(C)c1 ZINC000569083585 822878473 /nfs/dbraw/zinc/87/84/73/822878473.db2.gz CGNNYDCQBMPQHV-IAGOWNOFSA-N 1 0 399.501 4.191 20 0 GIADRO C[C@H]([NH2+]C1CCC(O)(c2cccnc2)CC1)c1cccc(OC(F)(F)F)c1 ZINC000186341604 822878511 /nfs/dbraw/zinc/87/85/11/822878511.db2.gz XHGCXVLYNTXTHF-STJZUHDESA-N 1 0 380.410 4.461 20 0 GIADRO C[C@@H]([NH2+]C1CCC(O)(c2cccnc2)CC1)c1cccc(OC(F)(F)F)c1 ZINC000186341624 822878543 /nfs/dbraw/zinc/87/85/43/822878543.db2.gz XHGCXVLYNTXTHF-ZCGYKAAXSA-N 1 0 380.410 4.461 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N2c3ccccc3C[C@H]2C)c(C)c1OC ZINC000569089062 822879105 /nfs/dbraw/zinc/87/91/05/822879105.db2.gz DNEWZWYGDPCQNU-HYVNUMGLSA-N 1 0 382.504 4.029 20 0 GIADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000457479132 822879325 /nfs/dbraw/zinc/87/93/25/822879325.db2.gz CQHDPPBSPBDLHB-LPHOPBHVSA-N 1 0 385.533 4.415 20 0 GIADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000457479137 822879411 /nfs/dbraw/zinc/87/94/11/822879411.db2.gz CQHDPPBSPBDLHB-VQIMIIECSA-N 1 0 385.533 4.415 20 0 GIADRO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C1CCC(O)(c2cccnc2)CC1)CC3 ZINC000186346554 822879429 /nfs/dbraw/zinc/87/94/29/822879429.db2.gz CUZHHNLBAAHEGO-SZTYLXMGSA-N 1 0 375.516 4.149 20 0 GIADRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]Cc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000186347494 822879613 /nfs/dbraw/zinc/87/96/13/822879613.db2.gz KMPLGIPLIIQQII-CVEARBPZSA-N 1 0 375.538 4.360 20 0 GIADRO COc1cccc([C@H]2C[C@H](N(C)C(=O)NC[C@H](c3cccc(F)c3)[NH+](C)C)C2)c1 ZINC000457480106 822879664 /nfs/dbraw/zinc/87/96/64/822879664.db2.gz NDZMGEPQBQULNF-SYYKKAFVSA-N 1 0 399.510 4.025 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)N[C@H](c1ccccc1)c1ccccn1 ZINC000457482679 822880024 /nfs/dbraw/zinc/88/00/24/822880024.db2.gz LGFQSHYNIOLYHF-OAQYLSRUSA-N 1 0 394.544 4.006 20 0 GIADRO Cc1ccc([C@H]([NH2+][C@@H]2CCC[C@@H](F)C2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000569120487 822881326 /nfs/dbraw/zinc/88/13/26/822881326.db2.gz WZCNJUBYJGMVAX-SBHAEUEKSA-N 1 0 375.509 4.358 20 0 GIADRO CCOC(=O)CC(C)(C)CC[NH2+][C@@H](c1cncc(Br)c1)C1CC1 ZINC000569136150 822882860 /nfs/dbraw/zinc/88/28/60/822882860.db2.gz YNAJIFSLMBJAJA-QGZVFWFLSA-N 1 0 383.330 4.254 20 0 GIADRO Cc1ccccc1CN1CCC([NH2+]Cc2ccc3c(c2)COC(C)(C)O3)CC1 ZINC000186367027 822882898 /nfs/dbraw/zinc/88/28/98/822882898.db2.gz XACUDFNRLBVNBE-UHFFFAOYSA-N 1 0 380.532 4.394 20 0 GIADRO COc1ccc(CC[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)cc1OC(F)F ZINC000186373984 822883854 /nfs/dbraw/zinc/88/38/54/822883854.db2.gz DBXAPGWJLKIDKZ-UHFFFAOYSA-N 1 0 393.430 4.274 20 0 GIADRO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(Oc3cccnc3)cc2)[C@@H]1c1ccccc1 ZINC000569149525 822884346 /nfs/dbraw/zinc/88/43/46/822884346.db2.gz MJYQXZBHXHWWHT-YADHBBJMSA-N 1 0 388.471 4.441 20 0 GIADRO CC[C@H](NC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1)c1ccncc1 ZINC000175114672 822885025 /nfs/dbraw/zinc/88/50/25/822885025.db2.gz GFGHWACZACFSKZ-QFIPXVFZSA-N 1 0 380.536 4.264 20 0 GIADRO COc1ccccc1[C@@H](C[NH2+][C@H](C)c1ccc(-n2cncn2)cc1)OC(C)C ZINC000186381363 822885083 /nfs/dbraw/zinc/88/50/83/822885083.db2.gz BATNIABSXGJVTI-VGOFRKELSA-N 1 0 380.492 4.093 20 0 GIADRO COc1cc(OC)cc(N2CC[C@@H](C[NH2+][C@@H](C)c3csc(C(C)C)n3)C2)c1 ZINC000186383157 822885412 /nfs/dbraw/zinc/88/54/12/822885412.db2.gz FBRAIYUVHWODOU-HOTGVXAUSA-N 1 0 389.565 4.461 20 0 GIADRO COC(=O)Cc1cccc(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)c1 ZINC000186382369 822885446 /nfs/dbraw/zinc/88/54/46/822885446.db2.gz NCPIZYVSKUITJN-UHFFFAOYSA-N 1 0 394.515 4.419 20 0 GIADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2cccc(OCc3cccnc3)c2)C1 ZINC000054434883 822885399 /nfs/dbraw/zinc/88/53/99/822885399.db2.gz FXRBOVSCDIYETM-GOSISDBHSA-N 1 0 396.535 4.293 20 0 GIADRO O=C([C@H]1C[C@@H]1c1ccc2ccccc2c1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000175118976 822885510 /nfs/dbraw/zinc/88/55/10/822885510.db2.gz BFHMBOYAPXFURO-RPWUZVMVSA-N 1 0 392.543 4.047 20 0 GIADRO CC[NH+]1CCC(C[NH2+][C@@H](c2ccco2)c2ccc(Br)cc2)CC1 ZINC000569155798 822885502 /nfs/dbraw/zinc/88/55/02/822885502.db2.gz NKBGSTCHDXBPOX-LJQANCHMSA-N 1 0 377.326 4.453 20 0 GIADRO Cc1nc2ccccn2c(=O)c1CC[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000569158107 822885670 /nfs/dbraw/zinc/88/56/70/822885670.db2.gz OMZLBFWKYYIRKQ-LBPRGKRZSA-N 1 0 376.287 4.203 20 0 GIADRO CC1(C)OCc2cc(C[NH2+]C[C@H](O)c3ccc(Cl)cc3Cl)ccc2O1 ZINC000186385388 822885873 /nfs/dbraw/zinc/88/58/73/822885873.db2.gz AYQQLEOWQHTYNG-KRWDZBQOSA-N 1 0 382.287 4.462 20 0 GIADRO CCOC(=O)c1nn(C)cc1C[NH2+][C@@H](c1ccc(C(F)(F)F)cc1)C(C)C ZINC000186386327 822885944 /nfs/dbraw/zinc/88/59/44/822885944.db2.gz ZUGIPHWCSIYHFJ-MRXNPFEDSA-N 1 0 383.414 4.103 20 0 GIADRO CC(=O)Nc1c(C)ccc(NC(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)c1C ZINC000054446093 822886589 /nfs/dbraw/zinc/88/65/89/822886589.db2.gz XDVRWBJZXOAFNO-GASCZTMLSA-N 1 0 388.556 4.140 20 0 GIADRO CC[NH+](CC)CC1CCN(C(=O)c2ccc(Oc3ccc(C)cc3)cn2)CC1 ZINC000457536125 822887458 /nfs/dbraw/zinc/88/74/58/822887458.db2.gz ZRCZZQALOWCVAR-UHFFFAOYSA-N 1 0 381.520 4.376 20 0 GIADRO COc1ccc(OC(F)F)c(C[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)c1 ZINC000186396051 822887511 /nfs/dbraw/zinc/88/75/11/822887511.db2.gz RQJHQQAAGDGESL-UHFFFAOYSA-N 1 0 379.403 4.232 20 0 GIADRO CO[C@H](C)c1nc(C)c(C(=O)OCC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000175132485 822889028 /nfs/dbraw/zinc/88/90/28/822889028.db2.gz XPPCMZQBBXNCLV-MRXNPFEDSA-N 1 0 388.533 4.228 20 0 GIADRO Cc1ccc(Oc2ccc(NC(=O)N(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)cn2)cc1C ZINC000175133732 822889275 /nfs/dbraw/zinc/88/92/75/822889275.db2.gz KEZPVDGQNMGCTA-IEBWSBKVSA-N 1 0 382.508 4.437 20 0 GIADRO CC(C)c1cccc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000175135654 822889710 /nfs/dbraw/zinc/88/97/10/822889710.db2.gz BHNCBBMHRQAFJY-PXNSSMCTSA-N 1 0 399.560 4.009 20 0 GIADRO CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3ccc4c(c3)COC(C)(C)O4)ccc2NC1=O ZINC000186407985 822889797 /nfs/dbraw/zinc/88/97/97/822889797.db2.gz PNMCDMBSFOMZCF-IFXJQAMLSA-N 1 0 396.487 4.292 20 0 GIADRO O=C(COCc1cccc(Cl)c1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000457553016 822889895 /nfs/dbraw/zinc/88/98/95/822889895.db2.gz IKDMOEBDQIWLTH-FRIKZZABSA-N 1 0 398.934 4.168 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)Nc2ccc(F)cc2C(=O)N(C)C)cc1)C(C)C ZINC000186414029 822890638 /nfs/dbraw/zinc/89/06/38/822890638.db2.gz PVEPZLAKEAIOIO-UHFFFAOYSA-N 1 0 385.483 4.010 20 0 GIADRO COc1cc([C@@H](C)[NH2+]CCc2cn(C)c3cc(F)ccc23)cc(OC)c1OC ZINC000186416337 822890910 /nfs/dbraw/zinc/89/09/10/822890910.db2.gz YGBFXIBPKMMWNR-CQSZACIVSA-N 1 0 386.467 4.237 20 0 GIADRO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCC(c3c(C)[nH]c4ccccc43)CC2)C1 ZINC000054510884 822891572 /nfs/dbraw/zinc/89/15/72/822891572.db2.gz ZDWUUEBHYJQXEH-SFHVURJKSA-N 1 0 382.552 4.097 20 0 GIADRO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)C1 ZINC000054510014 822891628 /nfs/dbraw/zinc/89/16/28/822891628.db2.gz BTCCAIQCSUVQBO-BEFAXECRSA-N 1 0 375.513 4.008 20 0 GIADRO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCC[C@@H]2c2ccc(Br)cc2)C1 ZINC000054510872 822891674 /nfs/dbraw/zinc/89/16/74/822891674.db2.gz LKDAOAMNCCCFFZ-MAUKXSAKSA-N 1 0 394.357 4.028 20 0 GIADRO CC[C@H](CC(F)F)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C(F)(F)F ZINC000457563349 822891738 /nfs/dbraw/zinc/89/17/38/822891738.db2.gz XTVRUIJAUKEZOS-GFCCVEGCSA-N 1 0 393.400 4.077 20 0 GIADRO COc1ccc(NC(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1F ZINC000175147704 822891913 /nfs/dbraw/zinc/89/19/13/822891913.db2.gz JJMIRFSDPGHMIV-FZKQIMNGSA-N 1 0 377.485 4.100 20 0 GIADRO O=C(Nc1ccc(Oc2cccc(C(F)(F)F)c2)cc1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000569211985 822893493 /nfs/dbraw/zinc/89/34/93/822893493.db2.gz FRAYVKNHYQOVOJ-ACJLOTCBSA-N 1 0 391.393 4.323 20 0 GIADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1cccc(NC(=O)c2ccccc2)c1 ZINC000175160545 822895038 /nfs/dbraw/zinc/89/50/38/822895038.db2.gz REUMYSATPYNLLO-NRFANRHFSA-N 1 0 394.519 4.277 20 0 GIADRO CO[C@@H](C)c1nc(C)c(C(=O)OC[C@H]2CCC[N@H+](Cc3ccccc3)C2)s1 ZINC000175161172 822895267 /nfs/dbraw/zinc/89/52/67/822895267.db2.gz IQNRSIYLSUUUGO-WMZOPIPTSA-N 1 0 388.533 4.228 20 0 GIADRO COc1cc(C[N@@H+]2CC[C@H](Oc3ccccc3)C2)cc(OC)c1OCC(F)F ZINC000569245589 822895987 /nfs/dbraw/zinc/89/59/87/822895987.db2.gz MYZWHKFPUDIIQG-KRWDZBQOSA-N 1 0 393.430 4.001 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)c3cccc([C@H]4CCOC4)c3)C2)s1 ZINC000569249534 822896233 /nfs/dbraw/zinc/89/62/33/822896233.db2.gz HZPRXPFDOVXBIX-NQIIRXRSSA-N 1 0 398.572 4.155 20 0 GIADRO COc1ccc(-c2ccc(C[NH2+]Cc3cnc4c(c3)c(C)nn4C)s2)cc1 ZINC000569255537 822897466 /nfs/dbraw/zinc/89/74/66/822897466.db2.gz YILJOQSIWDJVAQ-UHFFFAOYSA-N 1 0 378.501 4.304 20 0 GIADRO CC1(C)C(=O)N[C@H]1C1CC[NH+](Cc2c(OC(F)F)ccc3ccccc32)CC1 ZINC000569258862 822897727 /nfs/dbraw/zinc/89/77/27/822897727.db2.gz LZWACDOLHYQPAY-IBGZPJMESA-N 1 0 388.458 4.178 20 0 GIADRO CCC(CC)(CNC(=O)NC1CC[NH+](Cc2ccccn2)CC1)c1ccccc1 ZINC000175180224 822898703 /nfs/dbraw/zinc/89/87/03/822898703.db2.gz BCNREIIHBVGMGO-UHFFFAOYSA-N 1 0 394.563 4.103 20 0 GIADRO Cn1nccc1CC[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000186459001 822899082 /nfs/dbraw/zinc/89/90/82/822899082.db2.gz ZUSURSMVCLSZKO-UHFFFAOYSA-N 1 0 386.839 4.106 20 0 GIADRO COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]Cc2ncccc2N(C)C)cc1 ZINC000569278092 822900574 /nfs/dbraw/zinc/90/05/74/822900574.db2.gz RFNPLMBVXHXWNQ-NRFANRHFSA-N 1 0 379.479 4.369 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+]C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)C1(C)C ZINC000186472185 822900696 /nfs/dbraw/zinc/90/06/96/822900696.db2.gz GOGNKLFYRFSMKQ-ZWKOTPCHSA-N 1 0 398.469 4.103 20 0 GIADRO CC[C@H](C)[NH2+][C@H](CNC(=O)[C@@H](C)Oc1ccc(F)cc1Cl)c1ccco1 ZINC000569280323 822900697 /nfs/dbraw/zinc/90/06/97/822900697.db2.gz BRCWFJQHBDWCGL-WOSRLPQWSA-N 1 0 382.863 4.085 20 0 GIADRO CC[C@H](C)[NH2+][C@H](CNC(=O)[C@H](C)Oc1ccc(F)cc1Cl)c1ccco1 ZINC000569280321 822900858 /nfs/dbraw/zinc/90/08/58/822900858.db2.gz BRCWFJQHBDWCGL-HEHGZKQESA-N 1 0 382.863 4.085 20 0 GIADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc3oc(C)c(C)c3c2)[C@H](C)C1 ZINC000186474296 822901149 /nfs/dbraw/zinc/90/11/49/822901149.db2.gz GYEBUGOBTBKKSF-QRWLVFNGSA-N 1 0 387.524 4.308 20 0 GIADRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccsc1)c1ccccc1OC(F)F ZINC000457650472 822901279 /nfs/dbraw/zinc/90/12/79/822901279.db2.gz FGSXKNUFJCJPQN-CQSZACIVSA-N 1 0 397.491 4.184 20 0 GIADRO C[C@H](C[NH2+][C@H](CO)Cc1c[nH]c2ccccc12)c1ccc(C(F)(F)F)cc1 ZINC000569291204 822902467 /nfs/dbraw/zinc/90/24/67/822902467.db2.gz WPFWMFIUHDNPIO-KDOFPFPSSA-N 1 0 376.422 4.483 20 0 GIADRO CC(=O)NCC[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2OC2CCCC2)C1 ZINC000569291828 822902645 /nfs/dbraw/zinc/90/26/45/822902645.db2.gz SUGVWEIDYRGHHK-QGZVFWFLSA-N 1 0 378.944 4.400 20 0 GIADRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1ccc(-n2ncc3ccccc32)cc1Cl ZINC000569296715 822903498 /nfs/dbraw/zinc/90/34/98/822903498.db2.gz HHPBGGBTEUBCBR-HNNXBMFYSA-N 1 0 384.911 4.137 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H](C)c2nc3c(s2)CCC3)c1 ZINC000457666448 822903780 /nfs/dbraw/zinc/90/37/80/822903780.db2.gz LEFGXBVWGHSORE-HNNXBMFYSA-N 1 0 386.565 4.034 20 0 GIADRO COC[C@@H]1CCCN(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)CC1 ZINC000457669549 822904238 /nfs/dbraw/zinc/90/42/38/822904238.db2.gz XKMNYKYLMSHAHH-WOJBJXKFSA-N 1 0 387.568 4.019 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2cc(Br)co2)CC1 ZINC000457673922 822904756 /nfs/dbraw/zinc/90/47/56/822904756.db2.gz ZSOFDNNGOUEDKJ-CQSZACIVSA-N 1 0 383.330 4.159 20 0 GIADRO Cn1cccc1[C@@H]1CCCCN1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000175210631 822904858 /nfs/dbraw/zinc/90/48/58/822904858.db2.gz PIBMSVFSJIAZAY-QFIPXVFZSA-N 1 0 380.536 4.058 20 0 GIADRO COc1csc(C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)c1 ZINC000569313185 822906206 /nfs/dbraw/zinc/90/62/06/822906206.db2.gz CPTVNBHNUWWVDS-UHFFFAOYSA-N 1 0 380.897 4.135 20 0 GIADRO CC(C)c1nccn1Cc1cccc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000175216385 822906679 /nfs/dbraw/zinc/90/66/79/822906679.db2.gz MWLMKLKUKZSWAS-PXNSSMCTSA-N 1 0 383.540 4.001 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)N1CC(C)(CC(F)(F)F)C1)c1ccsc1 ZINC000457690634 822907256 /nfs/dbraw/zinc/90/72/56/822907256.db2.gz PDFCRSLPJQVCCA-CQSZACIVSA-N 1 0 377.476 4.115 20 0 GIADRO CC[C@@H](CC(F)F)C(=O)Nc1cc(C)nn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000457692316 822907358 /nfs/dbraw/zinc/90/73/58/822907358.db2.gz ZNQCFLFENPSOTK-ZWKOTPCHSA-N 1 0 390.478 4.258 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1cc(F)c(OC)cc1F)c1ccccc1 ZINC000569324634 822907523 /nfs/dbraw/zinc/90/75/23/822907523.db2.gz SQIYZAOFVPEUDK-SFHVURJKSA-N 1 0 377.435 4.178 20 0 GIADRO COc1ccccc1-c1ccc([C@H](C)NC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000569333943 822908760 /nfs/dbraw/zinc/90/87/60/822908760.db2.gz IOFKJXCYBPSZSR-PWZKMPOXSA-N 1 0 393.531 4.192 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc3n[nH]cc3c2)CC1 ZINC000569339655 822909231 /nfs/dbraw/zinc/90/92/31/822909231.db2.gz JCOLOVNPAPJJPS-DLBZAZTESA-N 1 0 391.519 4.149 20 0 GIADRO O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000569342255 822909747 /nfs/dbraw/zinc/90/97/47/822909747.db2.gz DGYZHYCJJAYABB-FCEUIQTBSA-N 1 0 398.497 4.454 20 0 GIADRO COc1ccc(C[C@@H]([NH2+][C@@H](CCO)c2ccco2)c2ccc(OC)cc2)cc1 ZINC000186534941 822909969 /nfs/dbraw/zinc/90/99/69/822909969.db2.gz LJOMFUKWCVWUSV-FCHUYYIVSA-N 1 0 381.472 4.294 20 0 GIADRO CN(C(=O)NCCCC1CCCCC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457718977 822910347 /nfs/dbraw/zinc/91/03/47/822910347.db2.gz AXEJPMPJVLHYPB-UHFFFAOYSA-N 1 0 377.495 4.405 20 0 GIADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc2nc(-c3ccccc3)oc2c1 ZINC000569368409 822911914 /nfs/dbraw/zinc/91/19/14/822911914.db2.gz NCRPECUVHJCFQQ-QFBILLFUSA-N 1 0 375.472 4.194 20 0 GIADRO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)C(C)(C)Cc2ccc(Cl)cc2)C1 ZINC000457736675 822912470 /nfs/dbraw/zinc/91/24/70/822912470.db2.gz PVDFZNSAJJJOMH-FQEVSTJZSA-N 1 0 399.966 4.284 20 0 GIADRO CC1CC[NH+](CCCCNC(=O)N2CC(c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000457743010 822913377 /nfs/dbraw/zinc/91/33/77/822913377.db2.gz LTQMMMSDLMZRNW-UHFFFAOYSA-N 1 0 397.485 4.326 20 0 GIADRO c1cc(-c2n[nH]cc2C[N@@H+](CCc2ccccn2)Cc2ccncc2)cs1 ZINC000569392792 822915677 /nfs/dbraw/zinc/91/56/77/822915677.db2.gz YYOHAYXNRNQRKC-UHFFFAOYSA-N 1 0 375.501 4.173 20 0 GIADRO O=C(c1cc(C(F)(F)F)ccc1F)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000186578713 822916578 /nfs/dbraw/zinc/91/65/78/822916578.db2.gz DQBMBAOYAUFTCL-INIZCTEOSA-N 1 0 395.400 4.024 20 0 GIADRO C[C@@H](NC(=O)c1c(F)cc(C(F)(F)F)cc1F)[C@H](c1ccccc1)[NH+](C)C ZINC000569398693 822916819 /nfs/dbraw/zinc/91/68/19/822916819.db2.gz KVRRWRJAFNWLJO-PIGZYNQJSA-N 1 0 386.364 4.405 20 0 GIADRO c1nc2ccccc2n1Cc1cccc(-c2noc([C@H]3CCC[N@@H+]3C3CC3)n2)c1 ZINC000569412542 822918945 /nfs/dbraw/zinc/91/89/45/822918945.db2.gz DTRDAMQSXDTOQZ-OAQYLSRUSA-N 1 0 385.471 4.434 20 0 GIADRO CN(C(=O)NC[C@@H]1CCCc2ccccc21)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457783085 822919073 /nfs/dbraw/zinc/91/90/73/822919073.db2.gz LQMKMGKLHSMHET-KRWDZBQOSA-N 1 0 397.485 4.165 20 0 GIADRO Fc1cccc([C@@H]2CC[C@@H]([NH2+][C@@H]3CCCc4c3cnn4-c3ncccn3)C2)c1 ZINC000569416585 822919864 /nfs/dbraw/zinc/91/98/64/822919864.db2.gz FJKDSVKDZWAPMV-YVWKXTFCSA-N 1 0 377.467 4.105 20 0 GIADRO COc1ccccc1-c1noc(C2CC[NH+](CC3Cc4ccccc4C3)CC2)n1 ZINC000569416471 822919897 /nfs/dbraw/zinc/91/98/97/822919897.db2.gz WMGDCWJQGUBQJB-UHFFFAOYSA-N 1 0 389.499 4.340 20 0 GIADRO C[C@@H]([NH2+]CC1CCC(C(F)(F)F)CC1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000186594055 822920139 /nfs/dbraw/zinc/92/01/39/822920139.db2.gz RAGIYGSAJQJUCM-HPUBIQBYSA-N 1 0 398.469 4.363 20 0 GIADRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc(Br)co1 ZINC000457799038 822920372 /nfs/dbraw/zinc/92/03/72/822920372.db2.gz VSAXRNHUNRPFLW-QGZVFWFLSA-N 1 0 391.309 4.073 20 0 GIADRO C[N@@H+]1CC[C@]2(CCN(C(=O)Nc3ccc(Oc4ccc(Cl)cc4)nc3)C2)C1 ZINC000569420060 822920518 /nfs/dbraw/zinc/92/05/18/822920518.db2.gz DPMQXNMLLOYVEY-FQEVSTJZSA-N 1 0 386.883 4.087 20 0 GIADRO Brc1cccc(N2CC[C@@H](C[NH2+]C3CCC4(CCCO4)CC3)C2)c1 ZINC000569419854 822920535 /nfs/dbraw/zinc/92/05/35/822920535.db2.gz LFGKDKATFHSPGL-VQSBYGRUSA-N 1 0 393.369 4.357 20 0 GIADRO O=C(NC[C@H]1CCC[N@@H+]1CC1CCCCC1)c1ccc(-c2cncnc2)cc1F ZINC000186600281 822921498 /nfs/dbraw/zinc/92/14/98/822921498.db2.gz UXOAPEKVHHVGDP-HXUWFJFHSA-N 1 0 396.510 4.057 20 0 GIADRO O=C(c1cnc2ccccc2c1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000457810058 822921530 /nfs/dbraw/zinc/92/15/30/822921530.db2.gz DTLBYHBHWKDBFD-UHFFFAOYSA-N 1 0 385.511 4.363 20 0 GIADRO CCCC(=O)Nc1cccc(NC(=O)N2CC[NH+]([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)c1C ZINC000175274593 822921733 /nfs/dbraw/zinc/92/17/33/822921733.db2.gz QZIZYVNDRYUHDG-WAOWUJCRSA-N 1 0 398.551 4.072 20 0 GIADRO Clc1ccc(C2(C[NH2+]Cc3cncc(Br)c3)CCOCC2)cc1 ZINC000186604797 822922238 /nfs/dbraw/zinc/92/22/38/822922238.db2.gz BQIVQFSLVIPOMJ-UHFFFAOYSA-N 1 0 395.728 4.336 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)N(C)[C@H](C)c1ccc(F)cc1)[NH+]1CCCC1 ZINC000054920513 822922446 /nfs/dbraw/zinc/92/24/46/822922446.db2.gz IDMRTXCTYMMULE-DYESRHJHSA-N 1 0 399.510 4.374 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(OC(F)F)cc1 ZINC000175277292 822922527 /nfs/dbraw/zinc/92/25/27/822922527.db2.gz CUQAULXDRBZKML-SFHVURJKSA-N 1 0 388.458 4.272 20 0 GIADRO Fc1cc(C[NH2+]Cc2cncc(Br)c2)ccc1Oc1cccnc1 ZINC000186605884 822922631 /nfs/dbraw/zinc/92/26/31/822922631.db2.gz KHRYURQJMHYNSQ-UHFFFAOYSA-N 1 0 388.240 4.460 20 0 GIADRO Fc1cccc([C@H](C[NH2+]CC2CCC(C(F)(F)F)CC2)N2CCOCC2)c1 ZINC000186607889 822923099 /nfs/dbraw/zinc/92/30/99/822923099.db2.gz CJSKRVIUBCRTTH-KVWWFHCMSA-N 1 0 388.449 4.157 20 0 GIADRO C[C@H]([NH2+]Cc1cc(Cl)cc2c1OCC2)c1ccc(N2CCOCC2)c(F)c1 ZINC000186616541 822924151 /nfs/dbraw/zinc/92/41/51/822924151.db2.gz GONGWJJLVIDROB-AWEZNQCLSA-N 1 0 390.886 4.101 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cc1c[nH]c2cccc(C)c12 ZINC000175285049 822924430 /nfs/dbraw/zinc/92/44/30/822924430.db2.gz BCAZXZPTYSXVDL-NRFANRHFSA-N 1 0 389.543 4.389 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCC(=O)c1cccs1 ZINC000175284586 822924473 /nfs/dbraw/zinc/92/44/73/822924473.db2.gz ULGDHJQRNPOFSA-LJQANCHMSA-N 1 0 384.545 4.082 20 0 GIADRO CC(C)c1ccc(NC(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000175285762 822924618 /nfs/dbraw/zinc/92/46/18/822924618.db2.gz IAVLXBBVCDZGRH-UHFFFAOYSA-N 1 0 381.520 4.088 20 0 GIADRO C[C@H](NC(=O)NCc1ccccc1C[NH+]1CCCCC1)c1nc2ccccc2[nH]1 ZINC000054953106 822924662 /nfs/dbraw/zinc/92/46/62/822924662.db2.gz ZRZAZWRDCPMLTP-KRWDZBQOSA-N 1 0 391.519 4.109 20 0 GIADRO O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000569448890 822924900 /nfs/dbraw/zinc/92/49/00/822924900.db2.gz PVILINSHOMYASF-JOCHJYFZSA-N 1 0 380.488 4.093 20 0 GIADRO COc1ccccc1NC(=S)NC[C@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000054971305 822926332 /nfs/dbraw/zinc/92/63/32/822926332.db2.gz NTMFETIMAHITJV-LJQANCHMSA-N 1 0 399.560 4.217 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)N1Cc2ccc(Cl)cc2C1 ZINC000457874612 822927624 /nfs/dbraw/zinc/92/76/24/822927624.db2.gz FAXGSAWHPUUHFW-UHFFFAOYSA-N 1 0 387.886 4.169 20 0 GIADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H](c1ccccc1)C(C)C ZINC000175296017 822927671 /nfs/dbraw/zinc/92/76/71/822927671.db2.gz GPYAVCSHZYKSJA-HSZRJFAPSA-N 1 0 395.547 4.215 20 0 GIADRO CC[C@H](C)Sc1ccc(NC(=O)NCCN2CCC([NH+](C)C)CC2)c(C)c1 ZINC000175297190 822927804 /nfs/dbraw/zinc/92/78/04/822927804.db2.gz YIZIKFIQYRMIAA-KRWDZBQOSA-N 1 0 392.613 4.033 20 0 GIADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc2ccccc2c1 ZINC000175301960 822929405 /nfs/dbraw/zinc/92/94/05/822929405.db2.gz QLCYAOKZNLTBCN-UHFFFAOYSA-N 1 0 389.499 4.243 20 0 GIADRO Cc1cc(C)c(NC(=O)CCC[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)c(C)c1 ZINC000186650669 822929658 /nfs/dbraw/zinc/92/96/58/822929658.db2.gz HDLXUXIMBNGQFU-DEOSSOPVSA-N 1 0 378.516 4.462 20 0 GIADRO C[NH+](C)CCCNC(=S)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 ZINC000055004972 822929766 /nfs/dbraw/zinc/92/97/66/822929766.db2.gz ODPTWUGQCZKHNU-UHFFFAOYSA-N 1 0 388.924 4.242 20 0 GIADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CC/C=C/c1ccccc1 ZINC000175303334 822929871 /nfs/dbraw/zinc/92/98/71/822929871.db2.gz FUWYKXYZQMOBCB-YRNVUSSQSA-N 1 0 393.531 4.269 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)Nc2ccc(OC(F)F)cc2)CC1 ZINC000175306449 822930589 /nfs/dbraw/zinc/93/05/89/822930589.db2.gz OGFBSBWNZDDZSV-UHFFFAOYSA-N 1 0 389.446 4.416 20 0 GIADRO Cc1ccc(NC(=S)C(C(=O)c2ccccc2C)[n+]2cccc(CO)c2)cc1 ZINC000055012164 822930985 /nfs/dbraw/zinc/93/09/85/822930985.db2.gz PZHGPRCMIWZLCF-UHFFFAOYSA-O 1 0 391.516 4.134 20 0 GIADRO COc1ccc(C[N@@H+]2CC[C@@H](n3cc(C)cn3)C2)cc1OCc1ccccc1 ZINC000569515445 822932920 /nfs/dbraw/zinc/93/29/20/822932920.db2.gz IZGLMQWRFMZOKR-OAQYLSRUSA-N 1 0 377.488 4.226 20 0 GIADRO CO[C@H](C)c1nc(CN2CCC[N@H+](C[C@H]3CC(C)=C[C@H](C)C3)CC2)cs1 ZINC000569515967 822933169 /nfs/dbraw/zinc/93/31/69/822933169.db2.gz UOJSLSNLKZECPU-QXAKKESOSA-N 1 0 377.598 4.351 20 0 GIADRO C[C@H]1CCN(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)[C@H]1C ZINC000175323393 822935075 /nfs/dbraw/zinc/93/50/75/822935075.db2.gz SQJZSVXDPVTBDK-ROUUACIJSA-N 1 0 386.540 4.153 20 0 GIADRO Oc1ccc(Br)c(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c1 ZINC000569531867 822935342 /nfs/dbraw/zinc/93/53/42/822935342.db2.gz OCOFJMSEDFKSMQ-GGPKGHCWSA-N 1 0 388.305 4.159 20 0 GIADRO Cc1cccc(CN(C)C(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)n1 ZINC000457931552 822938972 /nfs/dbraw/zinc/93/89/72/822938972.db2.gz BKKVBCSPJPKELY-JOCHJYFZSA-N 1 0 380.536 4.005 20 0 GIADRO CC(C)CSCC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000055121867 822939782 /nfs/dbraw/zinc/93/97/82/822939782.db2.gz JIFYFJYIYMWMHJ-UHFFFAOYSA-N 1 0 397.588 4.337 20 0 GIADRO CCCc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCCS3(=O)=O)c(F)c2)cc1 ZINC000186707676 822941257 /nfs/dbraw/zinc/94/12/57/822941257.db2.gz HUGZCLQGAMMCOY-MRXNPFEDSA-N 1 0 390.524 4.169 20 0 GIADRO COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000569577967 822941867 /nfs/dbraw/zinc/94/18/67/822941867.db2.gz DCBDFKFOYKRNLV-HQAQVQPGSA-N 1 0 393.531 4.076 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)CC[N@@H+]1C ZINC000175353264 822942621 /nfs/dbraw/zinc/94/26/21/822942621.db2.gz PKEAFLUJHBLHJA-YWZLYKJASA-N 1 0 398.482 4.024 20 0 GIADRO CCc1nc2ccccc2n1C1CCN(C(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000569600722 822943485 /nfs/dbraw/zinc/94/34/85/822943485.db2.gz JQPMLDLGUCLLEW-SBUREZEXSA-N 1 0 390.531 4.098 20 0 GIADRO Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000569603549 822943811 /nfs/dbraw/zinc/94/38/11/822943811.db2.gz RHROLQZTSUFIMF-HAQNSBGRSA-N 1 0 385.455 4.118 20 0 GIADRO C[C@@H]([NH3+])[C@@H]1CCN(CC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)C1 ZINC000569604911 822943822 /nfs/dbraw/zinc/94/38/22/822943822.db2.gz FCFQPRIMHBOZEQ-HUUCEWRRSA-N 1 0 389.952 4.099 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)CCc1ncc(-c2ccccc2Cl)o1 ZINC000055193827 822944816 /nfs/dbraw/zinc/94/48/16/822944816.db2.gz QWVUAZAXWMQAMG-MRXNPFEDSA-N 1 0 389.927 4.308 20 0 GIADRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000569616068 822945224 /nfs/dbraw/zinc/94/52/24/822945224.db2.gz JIWCTWZFNQUHGI-HQAQVQPGSA-N 1 0 376.504 4.269 20 0 GIADRO O=C(Nc1ccc(N2CCCC2)c(Cl)c1)NC1CC[NH+](C2CCCC2)CC1 ZINC000175358499 822945287 /nfs/dbraw/zinc/94/52/87/822945287.db2.gz KLGZDIQONILRTQ-UHFFFAOYSA-N 1 0 390.959 4.469 20 0 GIADRO Cc1ccccc1[C@H](NC(=O)NC1CC[NH+](Cc2ccccn2)CC1)C(C)(C)C ZINC000175359334 822945288 /nfs/dbraw/zinc/94/52/88/822945288.db2.gz QPRNHQRNDZXPGR-QFIPXVFZSA-N 1 0 394.563 4.441 20 0 GIADRO COc1ccc(C[N@@H+]2CCCN(C(=O)CCc3cccc(Cl)c3)CC2)cc1 ZINC000055209895 822946044 /nfs/dbraw/zinc/94/60/44/822946044.db2.gz HCDJCRZAQKDZJA-UHFFFAOYSA-N 1 0 386.923 4.016 20 0 GIADRO FC(F)(F)CN1CC[C@@H](C[NH2+]Cc2cc3cc(Br)ccc3o2)C1 ZINC000569622095 822946288 /nfs/dbraw/zinc/94/62/88/822946288.db2.gz GXYMOOCFSZLVOI-NSHDSACASA-N 1 0 391.231 4.169 20 0 GIADRO CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)NCc2ccc3c[nH+]cn3c2)c1 ZINC000457975231 822946452 /nfs/dbraw/zinc/94/64/52/822946452.db2.gz MNPQAPDDUPESSK-UHFFFAOYSA-N 1 0 398.894 4.292 20 0 GIADRO CC[NH+](CC)CCOc1cc(NC(=O)N2CCC[C@@H]3CCC[C@@H]32)ccc1OC ZINC000175363853 822947183 /nfs/dbraw/zinc/94/71/83/822947183.db2.gz QSYNWQNKTLCZAT-HKUYNNGSSA-N 1 0 389.540 4.212 20 0 GIADRO CSC1(CNC(=O)c2cc3c(s2)-c2ccccc2CC3)CC[NH+](C)CC1 ZINC000569631723 822947596 /nfs/dbraw/zinc/94/75/96/822947596.db2.gz IFYHOZIHCGSYIE-UHFFFAOYSA-N 1 0 386.586 4.071 20 0 GIADRO CSC1(CNC(=O)N[C@H](C)C2(c3ccccc3)CCCC2)CC[NH+](C)CC1 ZINC000569634814 822948032 /nfs/dbraw/zinc/94/80/32/822948032.db2.gz APQXTFMHWBCQKP-GOSISDBHSA-N 1 0 389.609 4.014 20 0 GIADRO COc1ccc2c(c1)CCC[C@H]2N(C)C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000569637709 822948475 /nfs/dbraw/zinc/94/84/75/822948475.db2.gz HWRFPHUISGDWRV-HSZRJFAPSA-N 1 0 378.516 4.441 20 0 GIADRO Cc1cc(-c2cc(C(=O)N(C)CC[N@H+](C)C3CC3)c3c(C)noc3n2)c(C)s1 ZINC000186746534 822948951 /nfs/dbraw/zinc/94/89/51/822948951.db2.gz QPTHVLBPRRAHSX-UHFFFAOYSA-N 1 0 398.532 4.043 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCC(OCC3CCCC3)CC2)C1 ZINC000175370575 822949234 /nfs/dbraw/zinc/94/92/34/822949234.db2.gz VZJISYXWXKZYNM-BGYRXZFFSA-N 1 0 393.616 4.125 20 0 GIADRO COC(=O)N1CCC([C@H](C)[NH2+][C@@H](C)c2ccc(Br)s2)CC1 ZINC000186758476 822950385 /nfs/dbraw/zinc/95/03/85/822950385.db2.gz LBPABQVJHJIWKF-QWRGUYRKSA-N 1 0 375.332 4.028 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1nc2ccccc2cc1Cl ZINC000569652468 822950499 /nfs/dbraw/zinc/95/04/99/822950499.db2.gz FPDURFMBIGOMEC-SFHVURJKSA-N 1 0 393.918 4.482 20 0 GIADRO COC(=O)N1CCC([C@@H](C)[NH2+][C@H](C)CCc2ccc(OC(F)F)cc2)CC1 ZINC000186768291 822952072 /nfs/dbraw/zinc/95/20/72/822952072.db2.gz BPLDWZNDINWNFY-HUUCEWRRSA-N 1 0 384.467 4.066 20 0 GIADRO CC(C)[C@H](CNC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)c1cccnc1 ZINC000175388060 822955088 /nfs/dbraw/zinc/95/50/88/822955088.db2.gz YJBFXBJYRSBRSK-QHCPKHFHSA-N 1 0 394.563 4.033 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)OCO2)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000055375095 822955797 /nfs/dbraw/zinc/95/57/97/822955797.db2.gz MMLMABKBMBHKIW-IRXDYDNUSA-N 1 0 395.503 4.083 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)c2ccccc2CC2CC[NH2+]CC2)c(Cl)c1 ZINC000569694574 822956059 /nfs/dbraw/zinc/95/60/59/822956059.db2.gz ZWRROMSNECWCRY-UHFFFAOYSA-N 1 0 385.895 4.093 20 0 GIADRO C[C@@H](C(=O)N(Cc1csc(Br)c1)C1CC1)[C@@H]([NH3+])c1ccccc1 ZINC000569697508 822956290 /nfs/dbraw/zinc/95/62/90/822956290.db2.gz QFZZUWDVARLCDN-SJKOYZFVSA-N 1 0 393.350 4.338 20 0 GIADRO COc1cc(C)c(NC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1F ZINC000186797470 822957223 /nfs/dbraw/zinc/95/72/23/822957223.db2.gz BWSOYYDMUNVGFE-SFHVURJKSA-N 1 0 385.483 4.129 20 0 GIADRO C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[N@@H+]1CCSC2(CCOCC2)C1 ZINC000186801468 822957707 /nfs/dbraw/zinc/95/77/07/822957707.db2.gz FWOOBOILLGZZKJ-ZWKOTPCHSA-N 1 0 398.572 4.004 20 0 GIADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccccc1SCc1cscn1 ZINC000055405011 822958137 /nfs/dbraw/zinc/95/81/37/822958137.db2.gz JINFCOBOFFYPHY-HZPDHXFCSA-N 1 0 389.590 4.286 20 0 GIADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)CCc1ncc(-c2ccccc2Cl)o1 ZINC000055404776 822958156 /nfs/dbraw/zinc/95/81/56/822958156.db2.gz KYDZPFAGYCWOFE-JKSUJKDBSA-N 1 0 389.927 4.164 20 0 GIADRO CCOc1cc(C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc(Cl)c1O ZINC000186812260 822959275 /nfs/dbraw/zinc/95/92/75/822959275.db2.gz LJSCVUSSQOAXNG-JKSUJKDBSA-N 1 0 394.943 4.171 20 0 GIADRO C[C@@H]1[C@@H](NC(=O)N2CC[C@@H](C(F)(F)F)C2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000569726326 822959331 /nfs/dbraw/zinc/95/93/31/822959331.db2.gz SZMFSEYYARJAKY-HYVNUMGLSA-N 1 0 383.458 4.022 20 0 GIADRO C[NH+](C)C[C@@H](CNC(=O)c1c(Cl)cncc1Cl)c1ccc(Cl)cc1 ZINC000569728343 822959634 /nfs/dbraw/zinc/95/96/34/822959634.db2.gz WCKIJOYTOCCJPZ-GFCCVEGCSA-N 1 0 386.710 4.117 20 0 GIADRO COc1cccc(Oc2ccc(NC(=O)N(C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)cc2)c1 ZINC000175407561 822961341 /nfs/dbraw/zinc/96/13/41/822961341.db2.gz CXDCVVPCANPJMK-FUHWJXTLSA-N 1 0 383.492 4.434 20 0 GIADRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000186823873 822961700 /nfs/dbraw/zinc/96/17/00/822961700.db2.gz IPRPRMUYCGOWSE-UXHICEINSA-N 1 0 378.944 4.128 20 0 GIADRO Brc1ccc2c(c1)[C@@H]([N@@H+]1CCSC3(CCOCC3)C1)CCC2 ZINC000186825308 822962240 /nfs/dbraw/zinc/96/22/40/822962240.db2.gz FHFLOEBYTJOYPO-KRWDZBQOSA-N 1 0 382.367 4.425 20 0 GIADRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)CCc1ncc(-c2ccccc2)o1 ZINC000186834645 822963954 /nfs/dbraw/zinc/96/39/54/822963954.db2.gz FTYHIRCNCADGMP-UHFFFAOYSA-N 1 0 383.536 4.435 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)Nc2ccc(Oc3ccc(OC)cc3)nc2)CC1 ZINC000175418088 822964378 /nfs/dbraw/zinc/96/43/78/822964378.db2.gz QKHUEDJCRICEJU-UHFFFAOYSA-N 1 0 398.507 4.221 20 0 GIADRO C[N@@H+]1CCC[C@H](CCNC(=O)[C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)C1 ZINC000458170624 822964844 /nfs/dbraw/zinc/96/48/44/822964844.db2.gz PGXPALZMYCBTIK-FOVJLYNBSA-N 1 0 392.543 4.217 20 0 GIADRO COC(=O)COc1ccccc1[C@H](C)[NH2+]C[C@H](c1ccccc1)C(F)(F)F ZINC000186842893 822965970 /nfs/dbraw/zinc/96/59/70/822965970.db2.gz CQIPICASKSCHEF-WMLDXEAASA-N 1 0 381.394 4.235 20 0 GIADRO COc1cccc(-c2c[nH]cc2C(=O)Nc2ccc(OCC[NH+](C)C)c(C)c2)c1 ZINC000458193552 822967195 /nfs/dbraw/zinc/96/71/95/822967195.db2.gz IZHXAOPQRVSKDS-UHFFFAOYSA-N 1 0 393.487 4.191 20 0 GIADRO Cc1ccccc1-c1nc(C(=O)N(CC[NH+](C)C)Cc2ccsc2)cs1 ZINC000458194953 822967407 /nfs/dbraw/zinc/96/74/07/822967407.db2.gz BDQARZYDOCRXHP-UHFFFAOYSA-N 1 0 385.558 4.384 20 0 GIADRO Cc1cccc(C(=O)Nc2ccc(OCC[NH+](C)C)c(C)c2)c1Br ZINC000458195506 822967433 /nfs/dbraw/zinc/96/74/33/822967433.db2.gz FPMLCORTZTVSSV-UHFFFAOYSA-N 1 0 391.309 4.259 20 0 GIADRO COc1ccc([C@H]([NH2+]Cc2ccc(-n3cncn3)c(F)c2)c2ccccc2)cc1 ZINC000055472352 822967749 /nfs/dbraw/zinc/96/77/49/822967749.db2.gz FTSAJGJWSIIJFR-HSZRJFAPSA-N 1 0 388.446 4.294 20 0 GIADRO Cc1oc(-c2ccsc2)nc1CC(=O)Nc1ccc(OCC[NH+](C)C)c(C)c1 ZINC000458204398 822968532 /nfs/dbraw/zinc/96/85/32/822968532.db2.gz XGGRQRQUXUYENC-UHFFFAOYSA-N 1 0 399.516 4.142 20 0 GIADRO Cc1cc(NC(=O)c2ccc(F)cc2Br)ccc1OCC[NH+](C)C ZINC000458206622 822968929 /nfs/dbraw/zinc/96/89/29/822968929.db2.gz ZLQHTYMSILLDCR-UHFFFAOYSA-N 1 0 395.272 4.089 20 0 GIADRO C[N@@H+]1CCC[C@@H](CCNC(=O)C2(c3cc(C(F)(F)F)ccc3Cl)CC2)C1 ZINC000458208863 822969209 /nfs/dbraw/zinc/96/92/09/822969209.db2.gz JXAVXHBILQASLF-ZDUSSCGKSA-N 1 0 388.861 4.239 20 0 GIADRO CC(=O)c1ccc(Oc2ccc(C(=O)NCC[C@@H]3CCC[N@@H+](C)C3)cc2)cc1 ZINC000458210987 822969259 /nfs/dbraw/zinc/96/92/59/822969259.db2.gz LMQUTOKIGAXEBT-SFHVURJKSA-N 1 0 380.488 4.143 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NCc1ccc2c(c1)COC(C)(C)O2 ZINC000186860756 822969663 /nfs/dbraw/zinc/96/96/63/822969663.db2.gz ZGSYILMFHIXCGR-UHFFFAOYSA-N 1 0 381.520 4.004 20 0 GIADRO Cc1cc(NC(=O)Cc2scnc2-c2ccccc2)ccc1OCC[NH+](C)C ZINC000458217342 822969868 /nfs/dbraw/zinc/96/98/68/822969868.db2.gz QLJFRVFSFBLJRW-UHFFFAOYSA-N 1 0 395.528 4.240 20 0 GIADRO C[N@@H+]1CC[C@]2(CCN(C(=O)Nc3ccnc(Oc4ccccc4Cl)c3)C2)C1 ZINC000569799732 822970776 /nfs/dbraw/zinc/97/07/76/822970776.db2.gz ZJGFZZMHBNGOLX-FQEVSTJZSA-N 1 0 386.883 4.087 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)CCc1ccc2ccccc2c1O ZINC000458232840 822971859 /nfs/dbraw/zinc/97/18/59/822971859.db2.gz XJEFPPUEKMFAEK-UHFFFAOYSA-N 1 0 382.529 4.130 20 0 GIADRO Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+]CCCCCS(C)(=O)=O ZINC000186871584 822971890 /nfs/dbraw/zinc/97/18/90/822971890.db2.gz DBOXZPKSKDTGAL-CYBMUJFWSA-N 1 0 384.542 4.123 20 0 GIADRO C[N@@H+]1CCC[C@H](CCNC(=O)[C@@H]2CCCO[C@@H]2c2ccc(Cl)cc2Cl)C1 ZINC000458238023 822972358 /nfs/dbraw/zinc/97/23/58/822972358.db2.gz ZIKKTMSNTZWELK-LSBZLQRGSA-N 1 0 399.362 4.309 20 0 GIADRO CS(=O)(=O)CCCCC[NH2+][C@@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000186873034 822972440 /nfs/dbraw/zinc/97/24/40/822972440.db2.gz HPUGDEDLZYXZQL-MRXNPFEDSA-N 1 0 396.553 4.131 20 0 GIADRO O=C(c1coc(C2CCCC2)n1)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000569819179 822972546 /nfs/dbraw/zinc/97/25/46/822972546.db2.gz SVIVWJFWFJCPPA-HSZRJFAPSA-N 1 0 379.504 4.070 20 0 GIADRO CN(Cc1cc2ccccc2o1)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000175458096 822974147 /nfs/dbraw/zinc/97/41/47/822974147.db2.gz SKNGECVLVIDVNB-HXUWFJFHSA-N 1 0 391.515 4.139 20 0 GIADRO CCOc1ccc(C(=O)CCC(=O)Nc2ccc(C[NH+](C)C)c(C)c2)cc1F ZINC000458268403 822975954 /nfs/dbraw/zinc/97/59/54/822975954.db2.gz QVACNRKOEWNTPU-UHFFFAOYSA-N 1 0 386.467 4.196 20 0 GIADRO C[NH+](C)Cc1cc(CNC(=O)NC[C@@H](c2ccccc2)C(F)(F)F)ccc1F ZINC000186896342 822976492 /nfs/dbraw/zinc/97/64/92/822976492.db2.gz MGVIZMDSVSXVFQ-KRWDZBQOSA-N 1 0 397.416 4.033 20 0 GIADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccc(CCC(F)(F)F)cc1 ZINC000569858893 822977154 /nfs/dbraw/zinc/97/71/54/822977154.db2.gz KHYKDNZMWNOMDS-MRXNPFEDSA-N 1 0 378.438 4.432 20 0 GIADRO Cc1cc(NC(=O)c2cc(N3CCCC3=O)ccc2Cl)ccc1C[NH+](C)C ZINC000458287947 822978564 /nfs/dbraw/zinc/97/85/64/822978564.db2.gz PKPJSRHXNRNMAY-UHFFFAOYSA-N 1 0 385.895 4.089 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(Br)cc1Cl)c1ccc2c(c1)OCC(=O)N2 ZINC000569874723 822979098 /nfs/dbraw/zinc/97/90/98/822979098.db2.gz KYCJXTVNMXGMGZ-SNVBAGLBSA-N 1 0 395.684 4.284 20 0 GIADRO Cc1cc(NC(=O)[C@@H](c2c(F)cccc2Cl)N(C)C)ccc1C[NH+](C)C ZINC000458294150 822979777 /nfs/dbraw/zinc/97/97/77/822979777.db2.gz VNBWGKXDONGEDJ-LJQANCHMSA-N 1 0 377.891 4.091 20 0 GIADRO CC(=O)Nc1cc(C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)cc(C(F)(F)F)c1 ZINC000458295484 822979780 /nfs/dbraw/zinc/97/97/80/822979780.db2.gz WUOFJNSVUTXWEI-UHFFFAOYSA-N 1 0 393.409 4.286 20 0 GIADRO CC(=O)N(c1ccc(NC(=O)c2cccc(C[NH+]3CCCC3)c2)cc1)[C@H]1C[C@@H]1C ZINC000569881071 822980162 /nfs/dbraw/zinc/98/01/62/822980162.db2.gz XJDZXVVVKJXCNT-SBUREZEXSA-N 1 0 391.515 4.296 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)c2ccccc2N2CCCCC2)cc1F ZINC000458299645 822980270 /nfs/dbraw/zinc/98/02/70/822980270.db2.gz UDJMRTUAFFZQPR-UHFFFAOYSA-N 1 0 385.483 4.009 20 0 GIADRO Cc1csc(Sc2ccc(NC(=O)N3CC[C@@H]([NH+]4CC=CC4)C3)cc2)n1 ZINC000175484791 822980357 /nfs/dbraw/zinc/98/03/57/822980357.db2.gz BEVHKMFAHQXNBW-MRXNPFEDSA-N 1 0 386.546 4.081 20 0 GIADRO CC(C)[C@@H](CNC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1)c1cccnc1 ZINC000175485828 822980629 /nfs/dbraw/zinc/98/06/29/822980629.db2.gz QUMQYEGXJPPGRZ-NFBKMPQASA-N 1 0 394.563 4.127 20 0 GIADRO Cc1cc(Br)cc([C@@H](C)[NH2+]Cc2ccc3c(c2)OCCO3)c1O ZINC000186926069 822981290 /nfs/dbraw/zinc/98/12/90/822981290.db2.gz CYCSGSPOPPZIHP-GFCCVEGCSA-N 1 0 378.266 4.085 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(C)cc1OC ZINC000175488723 822981502 /nfs/dbraw/zinc/98/15/02/822981502.db2.gz KOWKLIAMGHKJLD-HXUWFJFHSA-N 1 0 381.520 4.380 20 0 GIADRO Cc1noc(C)c1COc1cccc(C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)c1 ZINC000458323866 822983302 /nfs/dbraw/zinc/98/33/02/822983302.db2.gz SEGBQUULBWKLEN-UHFFFAOYSA-N 1 0 393.487 4.493 20 0 GIADRO O=C(Nc1ccnc(Sc2ccccn2)c1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000569909050 822984646 /nfs/dbraw/zinc/98/46/46/822984646.db2.gz GJWPGRTZCLKWOT-AEFFLSMTSA-N 1 0 397.548 4.014 20 0 GIADRO Cc1ccc(Cc2cnc(NC(=O)N(C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)s2)cc1C ZINC000569910050 822984874 /nfs/dbraw/zinc/98/48/74/822984874.db2.gz TXUHRHNWMXBVHC-JWTNVVGKSA-N 1 0 384.549 4.097 20 0 GIADRO CN(C(=O)NCc1ccc2ccccc2c1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458339939 822985029 /nfs/dbraw/zinc/98/50/29/822985029.db2.gz SIGBXALAQGQKBJ-UHFFFAOYSA-N 1 0 393.453 4.398 20 0 GIADRO O=C(N[C@H](COc1ccccc1)c1ccccc1)NC1CC[NH+](C2CCC2)CC1 ZINC000458344504 822985222 /nfs/dbraw/zinc/98/52/22/822985222.db2.gz PUHBHXSQFQTPAK-HSZRJFAPSA-N 1 0 393.531 4.123 20 0 GIADRO O=C(Nc1ccccc1)[C@H](Cc1ccccc1)[NH2+][C@H]1CCc2cccnc2CC1 ZINC000569918632 822985719 /nfs/dbraw/zinc/98/57/19/822985719.db2.gz TYFNYDKGAQANQY-UPVQGACJSA-N 1 0 385.511 4.169 20 0 GIADRO CC(C)c1nc(C[N@@H+]2CCC[C@@H](CNC(=O)c3ccccc3)C2)c2ccccn21 ZINC000569933037 822987226 /nfs/dbraw/zinc/98/72/26/822987226.db2.gz GBLLPLOMXLHRAC-IBGZPJMESA-N 1 0 390.531 4.100 20 0 GIADRO CN(CCc1ccc(F)cc1)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000175517753 822989090 /nfs/dbraw/zinc/98/90/90/822989090.db2.gz LTONWAKRGAIDDZ-FXAWDEMLSA-N 1 0 389.540 4.154 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCOc3ccc(F)cc32)CC[N@@H+]1Cc1ccccc1 ZINC000175521558 822990188 /nfs/dbraw/zinc/99/01/88/822990188.db2.gz KBIQSBRTXSSAGV-LKUPVBHCSA-N 1 0 397.494 4.002 20 0 GIADRO COc1ccccc1C(C)(C)C(=O)NC[C@@H](c1ccc(SC)cc1)[NH+](C)C ZINC000569960294 822990230 /nfs/dbraw/zinc/99/02/30/822990230.db2.gz KPMJPDVIRJRLKG-IBGZPJMESA-N 1 0 386.561 4.114 20 0 GIADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cc(Cl)ccc1SC(C)C ZINC000569965455 822990691 /nfs/dbraw/zinc/99/06/91/822990691.db2.gz ZAAPQUVMNDXDCJ-OAHLLOKOSA-N 1 0 385.961 4.073 20 0 GIADRO COC[C@@H]([NH2+]Cc1ccc(C)nc1-n1cc(Cl)cn1)c1cccc(Cl)c1 ZINC000569973840 822991765 /nfs/dbraw/zinc/99/17/65/822991765.db2.gz OTJLEWGQAGVFCC-GOSISDBHSA-N 1 0 391.302 4.360 20 0 GIADRO Cc1occc1C(=O)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000175531864 822992191 /nfs/dbraw/zinc/99/21/91/822992191.db2.gz HIGAVLODCUMVDU-QGZVFWFLSA-N 1 0 380.410 4.115 20 0 GIADRO C[C@H](CC(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1)c1cnn(C)c1 ZINC000569976588 822992330 /nfs/dbraw/zinc/99/23/30/822992330.db2.gz PUTQPQVBDLJYAO-QGZVFWFLSA-N 1 0 386.565 4.130 20 0 GIADRO Cc1ccoc1C(=O)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000175534684 822992641 /nfs/dbraw/zinc/99/26/41/822992641.db2.gz VDUAOOFYTFALEZ-QGZVFWFLSA-N 1 0 380.410 4.115 20 0 GIADRO Cc1ccc([C@H]([NH2+]CCC2(F)CCC2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000569997612 822994711 /nfs/dbraw/zinc/99/47/11/822994711.db2.gz PDVKYYGAGPCRLO-FQEVSTJZSA-N 1 0 375.509 4.360 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@H]1C[C@]12CCCc1ccccc12 ZINC000175545459 822994753 /nfs/dbraw/zinc/99/47/53/822994753.db2.gz XVTIICIKCWAPCZ-NOZRDPDXSA-N 1 0 392.518 4.201 20 0 GIADRO Cc1nc(C)c([C@@H](C)[N@H+](C)C[C@H](O)c2ccc(F)c(Br)c2)s1 ZINC000187004254 822995762 /nfs/dbraw/zinc/99/57/62/822995762.db2.gz NQLLSNRRFCLREU-BMIGLBTASA-N 1 0 387.318 4.388 20 0 GIADRO COc1cc(NC(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)cc(OC)c1 ZINC000570011525 822996451 /nfs/dbraw/zinc/99/64/51/822996451.db2.gz GDBXXXOYFGOMRC-IBGZPJMESA-N 1 0 397.519 4.128 20 0 GIADRO CCC[N@H+](CC)C[C@H](C)NC(=O)Nc1cccc(C(=O)Nc2ccccc2)c1C ZINC000570011765 822996585 /nfs/dbraw/zinc/99/65/85/822996585.db2.gz NNHGVCPWSZGQBN-KRWDZBQOSA-N 1 0 396.535 4.489 20 0 GIADRO Cc1ccc(C[NH2+]Cc2cccc(N3C(=O)NC4(CCCC4)C3=O)c2)cc1Cl ZINC000570011933 822996624 /nfs/dbraw/zinc/99/66/24/822996624.db2.gz GPALETOWNUZLNZ-UHFFFAOYSA-N 1 0 397.906 4.307 20 0 GIADRO C[C@H](CC(=O)NCCc1ccccc1)[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000570012009 822996804 /nfs/dbraw/zinc/99/68/04/822996804.db2.gz IJDGSNDUAUIFJR-CVEARBPZSA-N 1 0 378.438 4.494 20 0 GIADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3c4c(nc5ccccc53)/C(=C\c3ccco3)CC4)C[C@@H]21 ZINC000570020746 822998252 /nfs/dbraw/zinc/99/82/52/822998252.db2.gz BGTVIBUAUZUYKP-JJMAVHEYSA-N 1 0 399.494 4.091 20 0 GIADRO COc1ccc(CC[C@@H](C)[NH2+]Cc2ccc(OC(F)F)c(OC)c2)cc1O ZINC000570024289 822998434 /nfs/dbraw/zinc/99/84/34/822998434.db2.gz IWNCTGZKHHHUPK-CYBMUJFWSA-N 1 0 381.419 4.122 20 0 GIADRO CN(c1ccc(NC(=O)[C@H]2C[C@@]23CCc2ccccc23)cc1)C1CC[NH+](C)CC1 ZINC000175566777 822999002 /nfs/dbraw/zinc/99/90/02/822999002.db2.gz ZHYFTZXITUYALC-ILBGXUMGSA-N 1 0 389.543 4.060 20 0 GIADRO Clc1cc(Br)cc2c1CC[C@@H]2[NH2+]Cc1cnc2n1CCCC2 ZINC000570031741 822999138 /nfs/dbraw/zinc/99/91/38/822999138.db2.gz NVHVIARTALYDJB-INIZCTEOSA-N 1 0 380.717 4.412 20 0 GIADRO Cc1ccc(F)cc1C1(c2noc([C@@H]3CCC[N@H+](Cc4cccnc4)C3)n2)CC1 ZINC000570033380 822999370 /nfs/dbraw/zinc/99/93/70/822999370.db2.gz SDPOHZGKOQAYGC-GOSISDBHSA-N 1 0 392.478 4.372 20 0 GIADRO CCOc1cc2c(cc1C[NH2+]Cc1ccc3c(c1)COC(C)(C)O3)O[C@@H](C)C2 ZINC000187027065 823000174 /nfs/dbraw/zinc/00/01/74/823000174.db2.gz FLXBEKZURWFVGY-HNNXBMFYSA-N 1 0 383.488 4.344 20 0 GIADRO C[C@@H](COc1ccc(F)cc1F)[NH2+][C@@H](C)c1ncc(Br)cc1F ZINC000187055309 823004574 /nfs/dbraw/zinc/00/45/74/823004574.db2.gz ZUWJLCZEFZCCNU-UWVGGRQHSA-N 1 0 389.215 4.380 20 0 GIADRO O=C(Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1)C1(CCF)CC1 ZINC000570088241 823004644 /nfs/dbraw/zinc/00/46/44/823004644.db2.gz WCWAETLKEPKFSY-UHFFFAOYSA-N 1 0 395.522 4.083 20 0 GIADRO C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1)c1nnc(-c2cccs2)o1 ZINC000570086668 823004773 /nfs/dbraw/zinc/00/47/73/823004773.db2.gz BOFBWUOURINVEO-XNJJOIOASA-N 1 0 390.459 4.172 20 0 GIADRO Cc1nn(C)c(N2CCOCC2)c1C[N@@H+](CC(C)C)[C@H](C)c1ccccc1C ZINC000570112023 823006625 /nfs/dbraw/zinc/00/66/25/823006625.db2.gz GTJNNPVRQXNWPH-HXUWFJFHSA-N 1 0 384.568 4.093 20 0 GIADRO CC(C)(C)[C@H]1C[C@H]([NH2+]CCCS(=O)(=O)c2ccc(Cl)cc2)CS1 ZINC000570113458 823006948 /nfs/dbraw/zinc/00/69/48/823006948.db2.gz NKVGENCEJIHDDW-GOEBONIOSA-N 1 0 375.987 4.014 20 0 GIADRO O=C(Nc1ccc(SC2CCCC2)cc1)N1CC[NH+](C2CCOCC2)CC1 ZINC000175615249 823007059 /nfs/dbraw/zinc/00/70/59/823007059.db2.gz DOXBNXMOSSJLHG-UHFFFAOYSA-N 1 0 389.565 4.050 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000187084979 823008622 /nfs/dbraw/zinc/00/86/22/823008622.db2.gz BHXMUSXWERAWDS-QHCPKHFHSA-N 1 0 396.531 4.307 20 0 GIADRO CSc1ccc(-c2nsc(NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)n2)cc1 ZINC000570131019 823008659 /nfs/dbraw/zinc/00/86/59/823008659.db2.gz WATDQCTXIFBUSZ-LBPRGKRZSA-N 1 0 393.582 4.025 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](CC(C)C)c2ccccc2OC)C1 ZINC000175625141 823008812 /nfs/dbraw/zinc/00/88/12/823008812.db2.gz KFLQFVULRJFFLA-ICSRJNTNSA-N 1 0 375.557 4.156 20 0 GIADRO CC(C)[C@@H](CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)c1cccnc1 ZINC000175625108 823008911 /nfs/dbraw/zinc/00/89/11/823008911.db2.gz YNFCGTSHHPIQTR-MOPGFXCFSA-N 1 0 386.565 4.019 20 0 GIADRO C[C@H](NC(=O)N1CCC(C[NH+]2CCCC2)CC1)c1cccc(OC(F)(F)F)c1 ZINC000175637795 823010813 /nfs/dbraw/zinc/01/08/13/823010813.db2.gz JSIBHSUMUOHOLQ-HNNXBMFYSA-N 1 0 399.457 4.164 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000187106121 823011326 /nfs/dbraw/zinc/01/13/26/823011326.db2.gz GHHAGUWOVBANNS-SFTDATJTSA-N 1 0 378.472 4.438 20 0 GIADRO COc1cc(NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)ccc1F ZINC000187108114 823011516 /nfs/dbraw/zinc/01/15/16/823011516.db2.gz UJNMOCBEGLLNDC-VQIMIIECSA-N 1 0 385.483 4.351 20 0 GIADRO CC[NH+](CC)[C@@H](CN[C@@H](C)c1ncc(Br)cc1F)c1ccco1 ZINC000187110413 823011889 /nfs/dbraw/zinc/01/18/89/823011889.db2.gz KKEZORWIFXGHCF-WFASDCNBSA-N 1 0 384.293 4.310 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc2c(c1)OC(C)(C)O2 ZINC000175654091 823013376 /nfs/dbraw/zinc/01/33/76/823013376.db2.gz MKQCUVMWICMTMW-SFHVURJKSA-N 1 0 395.503 4.180 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000187119864 823013589 /nfs/dbraw/zinc/01/35/89/823013589.db2.gz PDIUZIIYELBVST-UHFFFAOYSA-N 1 0 384.483 4.292 20 0 GIADRO COC(=O)c1ccc(C[NH2+]CCCc2c(F)cccc2Cl)nc1C1CC1 ZINC000570203387 823014935 /nfs/dbraw/zinc/01/49/35/823014935.db2.gz GOBLERPJJZYUFO-UHFFFAOYSA-N 1 0 376.859 4.261 20 0 GIADRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)Nc1ccccc1CN1CCc2ccccc21 ZINC000570204117 823014957 /nfs/dbraw/zinc/01/49/57/823014957.db2.gz MTXRTLZNMMEPGX-SFHVURJKSA-N 1 0 380.536 4.100 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(F)c(OC)c1 ZINC000187135203 823015928 /nfs/dbraw/zinc/01/59/28/823015928.db2.gz DIEVHMKBZIAMJK-SFHVURJKSA-N 1 0 385.483 4.210 20 0 GIADRO CCc1noc(-c2ccc(C)c(NC(=O)[C@@H]3CC[N@H+](Cc4ccccc4)C3)c2)n1 ZINC000570223616 823016582 /nfs/dbraw/zinc/01/65/82/823016582.db2.gz AQSACDROMKWWCH-LJQANCHMSA-N 1 0 390.487 4.068 20 0 GIADRO COc1ccc(Cl)c(NC(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)c1 ZINC000175670317 823017024 /nfs/dbraw/zinc/01/70/24/823017024.db2.gz OLKHZRCXUXTZDY-INIZCTEOSA-N 1 0 387.911 4.477 20 0 GIADRO O=C(NC1CC[NH+](Cc2cccnc2)CC1)C1CCC(c2ccccc2)CC1 ZINC000175671196 823017053 /nfs/dbraw/zinc/01/70/53/823017053.db2.gz YTGAGLABRQQRSO-UHFFFAOYSA-N 1 0 377.532 4.136 20 0 GIADRO COc1ccc([C@H](C)CC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000175677115 823018281 /nfs/dbraw/zinc/01/82/81/823018281.db2.gz RZSSMQLXZUNOCS-QGZVFWFLSA-N 1 0 384.495 4.109 20 0 GIADRO OC[C@@H]1C[N@H+](Cc2ccc(-n3cnc4ccccc43)cc2)CC[C@@H]1C(F)(F)F ZINC000570247663 823018843 /nfs/dbraw/zinc/01/88/43/823018843.db2.gz HWQHEOXKWFGXLU-WMZOPIPTSA-N 1 0 389.421 4.018 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)c2c[nH]nc2-c2ccsc2)CC[N@@H+]1Cc1ccccc1 ZINC000187162831 823019490 /nfs/dbraw/zinc/01/94/90/823019490.db2.gz PQFXIDYBRSJFNR-LPHOPBHVSA-N 1 0 394.544 4.263 20 0 GIADRO C[C@H](Cc1cccc(Br)c1)[NH2+]Cc1ccc2c(c1)CCC(=O)N2C ZINC000187163108 823019549 /nfs/dbraw/zinc/01/95/49/823019549.db2.gz XAEMWTRAUGPHJR-CQSZACIVSA-N 1 0 387.321 4.079 20 0 GIADRO Cc1c(Cl)cncc1NC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000570256225 823020106 /nfs/dbraw/zinc/02/01/06/823020106.db2.gz MMSXHNIKABYDRO-UHFFFAOYSA-N 1 0 378.929 4.139 20 0 GIADRO O=C(C[N@H+]1CCC[C@](CO)(Cc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2 ZINC000570256592 823020135 /nfs/dbraw/zinc/02/01/35/823020135.db2.gz FXNKUAUGHFFCSI-JSGDDZNVSA-N 1 0 381.560 4.089 20 0 GIADRO C[C@H]1C[C@H](NC(=O)CCc2ncc(C(C)(C)C)o2)CC[N@@H+]1Cc1ccccc1 ZINC000187171342 823020459 /nfs/dbraw/zinc/02/04/59/823020459.db2.gz BIBPJUBNRFJLJD-PKOBYXMFSA-N 1 0 383.536 4.074 20 0 GIADRO COc1cc(SC)ccc1NC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000570273083 823021732 /nfs/dbraw/zinc/02/17/32/823021732.db2.gz FNQOBAOVIJOZNC-QGZVFWFLSA-N 1 0 389.521 4.359 20 0 GIADRO Cc1nn(C)c(C)c1NC(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000570278039 823021954 /nfs/dbraw/zinc/02/19/54/823021954.db2.gz ITXXEPKUGWGHEN-UHFFFAOYSA-N 1 0 387.553 4.259 20 0 GIADRO COc1ccc2cc([C@@H](C)[NH2+]C[C@@H]3CS(=O)(=O)c4ccccc43)ccc2c1 ZINC000570283942 823022238 /nfs/dbraw/zinc/02/22/38/823022238.db2.gz SHBFAHXVYNDXEI-DNVCBOLYSA-N 1 0 381.497 4.070 20 0 GIADRO COc1ccc2cc([C@@H](C)[NH2+]C[C@H]3CS(=O)(=O)c4ccccc43)ccc2c1 ZINC000570283941 823022254 /nfs/dbraw/zinc/02/22/54/823022254.db2.gz SHBFAHXVYNDXEI-BEFAXECRSA-N 1 0 381.497 4.070 20 0 GIADRO Cc1ccc(C(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)c(Br)c1 ZINC000187190105 823022805 /nfs/dbraw/zinc/02/28/05/823022805.db2.gz PWEDFRYJMFTQFF-KSSFIOAISA-N 1 0 375.310 4.179 20 0 GIADRO C[C@@H](CN[C@@H](C)c1ncc(Br)cc1F)[N@H+](C)Cc1ccccc1 ZINC000187190981 823023050 /nfs/dbraw/zinc/02/30/50/823023050.db2.gz AIQWUVILXGGJFR-KBPBESRZSA-N 1 0 380.305 4.154 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(C[S@@](C)=O)cc2)c(Br)c1 ZINC000570302241 823023852 /nfs/dbraw/zinc/02/38/52/823023852.db2.gz XHKGHIHVRFEETC-JCQPUDPBSA-N 1 0 396.350 4.187 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1cccc(OC(F)(F)F)c1)C(=O)Nc1cccnc1Cl ZINC000175709479 823024971 /nfs/dbraw/zinc/02/49/71/823024971.db2.gz RUQGOGJQCCAYKH-GHMZBOCLSA-N 1 0 387.789 4.311 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1ncsc1C(C)C)c1cccc(OC)c1 ZINC000570321517 823025659 /nfs/dbraw/zinc/02/56/59/823025659.db2.gz KCMBOFKHIDRWOM-QGZVFWFLSA-N 1 0 375.538 4.088 20 0 GIADRO CN1C(=O)CCc2cc(C[NH2+][C@@H]3CCc4c3cccc4Br)ccc21 ZINC000187214327 823025880 /nfs/dbraw/zinc/02/58/80/823025880.db2.gz DQQHEFZXOWDLQG-GOSISDBHSA-N 1 0 385.305 4.135 20 0 GIADRO Cc1nc(-c2ccc([C@@H](C)NC(=O)C3C[C@H]4CCC[C@@H](C3)C4[NH3+])cc2)cs1 ZINC000570328927 823026271 /nfs/dbraw/zinc/02/62/71/823026271.db2.gz AKHQIABNYLGAPM-BTDRUGOOSA-N 1 0 383.561 4.449 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(-c3ncc4n3CCCC4)c2)C1 ZINC000570331460 823026488 /nfs/dbraw/zinc/02/64/88/823026488.db2.gz NVULCRBCMGISTA-GOSISDBHSA-N 1 0 395.551 4.082 20 0 GIADRO Cc1oc(-c2ccccc2)nc1CC(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000187221799 823026948 /nfs/dbraw/zinc/02/69/48/823026948.db2.gz FCINZDJFDJLASJ-ZHRRBRCNSA-N 1 0 377.488 4.000 20 0 GIADRO O=C(Nc1cc(F)ccc1OCC1CC1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000570340921 823026993 /nfs/dbraw/zinc/02/69/93/823026993.db2.gz UIFLQELIGHBTHL-GOSISDBHSA-N 1 0 375.488 4.097 20 0 GIADRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)C1(Cc3ccccc3)CC1)c1ccccc1O2 ZINC000175724742 823027435 /nfs/dbraw/zinc/02/74/35/823027435.db2.gz IFTWTRHHSNEODT-OAQYLSRUSA-N 1 0 390.527 4.114 20 0 GIADRO Cc1oc(-c2ccsc2)nc1CC(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000187229965 823027918 /nfs/dbraw/zinc/02/79/18/823027918.db2.gz SAJRTHINBKSROQ-JLTOFOAXSA-N 1 0 383.517 4.062 20 0 GIADRO CN1C(=O)CCc2cc(C[NH2+]Cc3ccc(-c4nc5ccccc5[nH]4)cc3)ccc21 ZINC000187239423 823029115 /nfs/dbraw/zinc/02/91/15/823029115.db2.gz YTCJPEBNRICJAE-UHFFFAOYSA-N 1 0 396.494 4.429 20 0 GIADRO CC(C)(CC(=O)NC1CC[NH+](Cc2ccncc2)CC1)Cc1ccc(Cl)cc1 ZINC000187239792 823029192 /nfs/dbraw/zinc/02/91/92/823029192.db2.gz JEABSPAPMDZDBM-UHFFFAOYSA-N 1 0 399.966 4.475 20 0 GIADRO CC(=O)Nc1cccc(OCC[NH2+]C[C@H](C)c2ccc(C(F)(F)F)cc2)c1 ZINC000570365306 823029507 /nfs/dbraw/zinc/02/95/07/823029507.db2.gz GNXXASOLDBSAPH-AWEZNQCLSA-N 1 0 380.410 4.436 20 0 GIADRO CCCOc1ccc(CNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)cc1 ZINC000175740174 823029934 /nfs/dbraw/zinc/02/99/34/823029934.db2.gz CXQGLPOSYTXOAP-UHFFFAOYSA-N 1 0 395.547 4.281 20 0 GIADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000175742372 823030479 /nfs/dbraw/zinc/03/04/79/823030479.db2.gz ZPJWLVAFCBJZDE-NRFANRHFSA-N 1 0 394.519 4.277 20 0 GIADRO COc1cc2c(cc1OC)[C@H](c1cccs1)[N@H+](CCCCCCO)CC2 ZINC000175744048 823030682 /nfs/dbraw/zinc/03/06/82/823030682.db2.gz WSYRROMSBMLZNU-OAQYLSRUSA-N 1 0 375.534 4.266 20 0 GIADRO O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000570380268 823031664 /nfs/dbraw/zinc/03/16/64/823031664.db2.gz PKZRNBKVDXYQRZ-QZTJIDSGSA-N 1 0 390.487 4.348 20 0 GIADRO COc1ccc(O[C@@H](C)C[NH2+][C@H](C)c2ncc(Br)cc2F)cc1 ZINC000187259220 823031900 /nfs/dbraw/zinc/03/19/00/823031900.db2.gz YFWYWDXBDQWKGD-NWDGAFQWSA-N 1 0 383.261 4.110 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000187261547 823032430 /nfs/dbraw/zinc/03/24/30/823032430.db2.gz JGSVRIMIYJYYCF-FQEVSTJZSA-N 1 0 397.519 4.150 20 0 GIADRO C[C@H]([NH2+][C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)C1CCSCC1 ZINC000187261727 823032474 /nfs/dbraw/zinc/03/24/74/823032474.db2.gz MPDXFMYUBMRDGO-KKSFZXQISA-N 1 0 389.586 4.301 20 0 GIADRO COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)[NH2+]Cc1nc(-c2ccccc2)oc1C ZINC000570405425 823033534 /nfs/dbraw/zinc/03/35/34/823033534.db2.gz WPBFIGXUYXTLLV-UZLBHIALSA-N 1 0 378.472 4.160 20 0 GIADRO C[C@H](NC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)c1cccc(O)c1 ZINC000187272921 823034654 /nfs/dbraw/zinc/03/46/54/823034654.db2.gz OEFBBLPHXJFYGG-SCLBCKFNSA-N 1 0 395.425 4.074 20 0 GIADRO C[C@H](NC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)c1cccc(O)c1 ZINC000187272883 823034683 /nfs/dbraw/zinc/03/46/83/823034683.db2.gz OEFBBLPHXJFYGG-UGSOOPFHSA-N 1 0 395.425 4.074 20 0 GIADRO COC[C@H]1CCCN(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)CC1 ZINC000458382395 823034819 /nfs/dbraw/zinc/03/48/19/823034819.db2.gz JIXAIEZJJHSWLM-FQEVSTJZSA-N 1 0 387.568 4.021 20 0 GIADRO CCO[C@H](CC[NH2+]Cc1cccc(Cl)c1S(=O)(=O)CC)C1CCCC1 ZINC000187278135 823035799 /nfs/dbraw/zinc/03/57/99/823035799.db2.gz FFFFHCSKFWWNMM-GOSISDBHSA-N 1 0 387.973 4.209 20 0 GIADRO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](Cc3ccc(C)cc3)C2)c(OC)c1 ZINC000570421802 823035842 /nfs/dbraw/zinc/03/58/42/823035842.db2.gz IIYJDLZDGJVIER-UYAOXDASSA-N 1 0 396.531 4.294 20 0 GIADRO Cc1cc2c(cc1C)[C@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)CCS2 ZINC000187279467 823035894 /nfs/dbraw/zinc/03/58/94/823035894.db2.gz LKAAODYIFBYDEY-LJQANCHMSA-N 1 0 375.559 4.175 20 0 GIADRO CN1CC[C@H]([NH2+]Cc2ccc(Br)s2)[C@@H]1c1ccc(F)c(F)c1 ZINC000570430199 823036946 /nfs/dbraw/zinc/03/69/46/823036946.db2.gz RDDKOFYHHXXMCS-HOCLYGCPSA-N 1 0 387.293 4.324 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)c1ccccc1SC)[NH+]1CCCCC1 ZINC000055752000 823037021 /nfs/dbraw/zinc/03/70/21/823037021.db2.gz KEZCPYASOULKSK-LJQANCHMSA-N 1 0 384.545 4.374 20 0 GIADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1 ZINC000187289546 823037518 /nfs/dbraw/zinc/03/75/18/823037518.db2.gz DTMRAAFZSWSENY-HIFRSBDPSA-N 1 0 396.409 4.257 20 0 GIADRO Cc1sc(CC[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)nc1-c1ccccc1 ZINC000187296087 823038683 /nfs/dbraw/zinc/03/86/83/823038683.db2.gz NLFFMZPEWCZPLN-UHFFFAOYSA-N 1 0 391.540 4.360 20 0 GIADRO C[C@H]([NH2+]Cc1ccc2c(c1)CCC(=O)N2C)c1ccc(OCC2CC2)c(F)c1 ZINC000187298383 823039058 /nfs/dbraw/zinc/03/90/58/823039058.db2.gz FBTGCFPBOSTFBT-HNNXBMFYSA-N 1 0 382.479 4.374 20 0 GIADRO CC(C)Cc1ccc(C(=O)C2CCN(C(=O)C[C@@H]3CCCC[C@H]3[NH3+])CC2)cc1 ZINC000570447413 823039588 /nfs/dbraw/zinc/03/95/88/823039588.db2.gz SIRJLSOITLZJKL-FCHUYYIVSA-N 1 0 384.564 4.214 20 0 GIADRO C[NH2+]C[C@H]1CCN(C(=O)c2c(F)cccc2Sc2ccc(Cl)cc2)C1 ZINC000570451333 823039882 /nfs/dbraw/zinc/03/98/82/823039882.db2.gz LCAKCVUNRGSQFI-CYBMUJFWSA-N 1 0 378.900 4.312 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)N[C@]2(C)C[C@H]2c2ccccc2)[C@@H]1c1cccs1 ZINC000458445320 823041499 /nfs/dbraw/zinc/04/14/99/823041499.db2.gz YKMQLFUTHPPMID-BAYUQKDNSA-N 1 0 383.561 4.376 20 0 GIADRO Cc1cnc([C@H](NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)C2CC2)s1 ZINC000458452073 823042228 /nfs/dbraw/zinc/04/22/28/823042228.db2.gz HJWDUJJPUZLQGQ-OXQOHEQNSA-N 1 0 398.576 4.066 20 0 GIADRO C[C@@H]([NH2+]Cc1ccnc(OC2CCC(C)CC2)c1)c1cccc(-n2ccnn2)c1 ZINC000570472848 823042567 /nfs/dbraw/zinc/04/25/67/823042567.db2.gz WWEWJYONQPVXLR-WUZYXKQASA-N 1 0 391.519 4.471 20 0 GIADRO Cc1ccc(C[NH+]2CCSCC2)cc1NCc1ccc2c(c1)CCC(=O)N2C ZINC000187320388 823043010 /nfs/dbraw/zinc/04/30/10/823043010.db2.gz BKTNEBBKZRZIPN-UHFFFAOYSA-N 1 0 395.572 4.065 20 0 GIADRO Cc1ccc(C(=O)NCC2CC2)cc1N[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000187323086 823043458 /nfs/dbraw/zinc/04/34/58/823043458.db2.gz QGIGRKDGCKAJBQ-SFHVURJKSA-N 1 0 395.547 4.248 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)[C@@H]1CCCc2c(O)cccc21 ZINC000190135943 823541729 /nfs/dbraw/zinc/54/17/29/823541729.db2.gz CGYKVJAPQJWBRI-LJQANCHMSA-N 1 0 382.504 4.171 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)c2ccc(OCc3ccccc3)c(OC)c2)CC1 ZINC000060559165 823542385 /nfs/dbraw/zinc/54/23/85/823542385.db2.gz GWJUEQAXLVEUQG-UHFFFAOYSA-N 1 0 396.531 4.221 20 0 GIADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)NCc2cccc3ccccc32)CC1 ZINC000060565914 823542917 /nfs/dbraw/zinc/54/29/17/823542917.db2.gz UDTGYIUCXVRKSB-UHFFFAOYSA-N 1 0 377.488 4.239 20 0 GIADRO C[C@H]([NH2+]CCOc1cccc(C(F)(F)F)c1)c1ccc(-n2cncn2)cc1 ZINC000177902562 823543927 /nfs/dbraw/zinc/54/39/27/823543927.db2.gz KYRYOPXAJCTRNV-AWEZNQCLSA-N 1 0 376.382 4.016 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CCOc2cccc(C(F)(F)F)c2)cc1NC(C)=O ZINC000177902322 823544038 /nfs/dbraw/zinc/54/40/38/823544038.db2.gz QCHYRWRNPWUEAN-ZDUSSCGKSA-N 1 0 396.409 4.402 20 0 GIADRO C[C@@H](C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1)c1cccc(Cl)c1 ZINC000460933143 823545378 /nfs/dbraw/zinc/54/53/78/823545378.db2.gz NDSXAFGJKUFRCF-QGZVFWFLSA-N 1 0 382.935 4.493 20 0 GIADRO C[C@@H]([NH2+]CC1(c2ccc(Cl)cc2)CCOCC1)c1ccc(-n2cncn2)cc1 ZINC000177919049 823546224 /nfs/dbraw/zinc/54/62/24/823546224.db2.gz WFYZWGWTKNMTJP-QGZVFWFLSA-N 1 0 396.922 4.320 20 0 GIADRO CCc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)cc1 ZINC000177920311 823546495 /nfs/dbraw/zinc/54/64/95/823546495.db2.gz UYIOLKREQUUIGK-QRVBRYPASA-N 1 0 380.532 4.349 20 0 GIADRO C[C@@H]1C[C@H](C(=O)N(CCC[NH+]2CCCC2)c2ccc(Cl)cc2)CCC1=O ZINC000411103947 823546675 /nfs/dbraw/zinc/54/66/75/823546675.db2.gz RMBBKMRHQPHEPE-IAGOWNOFSA-N 1 0 376.928 4.164 20 0 GIADRO O=C(Nc1ccc(F)cc1)NC1CC[NH+](Cc2ccc(F)c3cccnc23)CC1 ZINC000123864685 823547248 /nfs/dbraw/zinc/54/72/48/823547248.db2.gz KEUICFCDLFIPSW-UHFFFAOYSA-N 1 0 396.441 4.299 20 0 GIADRO CC1CC[NH+](C2CCC(NC(=O)NCC(F)(F)c3ccccc3)CC2)CC1 ZINC000460948349 823548618 /nfs/dbraw/zinc/54/86/18/823548618.db2.gz JWZUKHQNKAJIGT-UHFFFAOYSA-N 1 0 379.495 4.121 20 0 GIADRO Cn1c(CC[NH2+]Cc2ccc(OC(F)F)c(Cl)c2)nc2cc(F)ccc21 ZINC000123898108 823549842 /nfs/dbraw/zinc/54/98/42/823549842.db2.gz PHBQSQZEXUJZCJ-UHFFFAOYSA-N 1 0 383.801 4.300 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@@H]2CCN(C(=O)C3CCCCC3)C2)ccc1SC ZINC000123896656 823549852 /nfs/dbraw/zinc/54/98/52/823549852.db2.gz VNVFECGFTNKQGX-CRAIPNDOSA-N 1 0 376.566 4.249 20 0 GIADRO COc1ccc2[nH]cc(C3CC[NH+](CC4CCC5(CC4)OCCO5)CC3)c2c1 ZINC000190198902 823550015 /nfs/dbraw/zinc/55/00/15/823550015.db2.gz QEPNJDCIWIIPHB-UHFFFAOYSA-N 1 0 384.520 4.289 20 0 GIADRO COc1cc(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)ccc1OCc1ccccc1 ZINC000060645019 823550275 /nfs/dbraw/zinc/55/02/75/823550275.db2.gz BECCJVVKCXNIFK-RBUKOAKNSA-N 1 0 396.531 4.124 20 0 GIADRO C[NH+](C)CCN(CC1CCCCC1)C(=O)c1ccc(OCc2ccccn2)cc1 ZINC000460960038 823551074 /nfs/dbraw/zinc/55/10/74/823551074.db2.gz FMAWAYHFTUATTI-UHFFFAOYSA-N 1 0 395.547 4.245 20 0 GIADRO Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000060669516 823551460 /nfs/dbraw/zinc/55/14/60/823551460.db2.gz AMZBDTMUMSISSK-NSHDSACASA-N 1 0 385.455 4.228 20 0 GIADRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@H]1CCCc2c(O)cccc21 ZINC000190231596 823553418 /nfs/dbraw/zinc/55/34/18/823553418.db2.gz RSSNNVJTCVBICH-HXUWFJFHSA-N 1 0 396.556 4.308 20 0 GIADRO Cc1ccc(-c2ocnc2C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000460973470 823553723 /nfs/dbraw/zinc/55/37/23/823553723.db2.gz WPKSITAAWPQWLK-UHFFFAOYSA-N 1 0 389.499 4.292 20 0 GIADRO COc1ccc(C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c(F)c1 ZINC000123957761 823555238 /nfs/dbraw/zinc/55/52/38/823555238.db2.gz CFSKHLPJJVXMEB-DJJJIMSYSA-N 1 0 394.849 4.050 20 0 GIADRO Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000060759065 823555752 /nfs/dbraw/zinc/55/57/52/823555752.db2.gz LBMYDVMSGQIKPD-GJZGRUSLSA-N 1 0 394.302 4.313 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)[C@H](C)c1cccc(F)c1)[NH+]1CCCCC1 ZINC000460983736 823555835 /nfs/dbraw/zinc/55/58/35/823555835.db2.gz LFWIAWJXYDFJRV-UTKZUKDTSA-N 1 0 384.495 4.281 20 0 GIADRO Cc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)nc1C ZINC000411195492 823556213 /nfs/dbraw/zinc/55/62/13/823556213.db2.gz BTTQHMLPHZFOMK-UHFFFAOYSA-N 1 0 391.437 4.065 20 0 GIADRO C[C@H](C[S@](C)=O)[NH2+]Cc1ccc(Oc2cccc(Br)c2)cc1 ZINC000190272254 823558167 /nfs/dbraw/zinc/55/81/67/823558167.db2.gz OMICDOLZBWSSJR-DMZKTXOQSA-N 1 0 382.323 4.098 20 0 GIADRO CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+][C@H](CO)Cc1c[nH]c2ccccc12 ZINC000123989975 823558261 /nfs/dbraw/zinc/55/82/61/823558261.db2.gz KXVYUURLKGCIIC-HKUYNNGSSA-N 1 0 393.531 4.202 20 0 GIADRO CC[C@@H](C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(F)cc1 ZINC000461009003 823558430 /nfs/dbraw/zinc/55/84/30/823558430.db2.gz UHQUFPGQGJUSBJ-HSZRJFAPSA-N 1 0 397.538 4.038 20 0 GIADRO 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 ZINC000461011157 823558588 /nfs/dbraw/zinc/55/85/88/823558588.db2.gz ZZQAFTRZOPCTJD-JMGFVUJMSA-N 1 0 390.396 4.106 20 0 GIADRO CC[C@@H](C(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccc(F)cc1 ZINC000461011462 823558768 /nfs/dbraw/zinc/55/87/68/823558768.db2.gz FSAWJWNFOXHTIX-KGVIQGDOSA-N 1 0 390.543 4.057 20 0 GIADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2cc3ccccc3s2)c1 ZINC000060827114 823560415 /nfs/dbraw/zinc/56/04/15/823560415.db2.gz BGQVAPADGICQFN-UHFFFAOYSA-N 1 0 395.528 4.225 20 0 GIADRO CNC(=O)[C@@H]1CCC[N@H+](Cc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)C1 ZINC000411255113 823560520 /nfs/dbraw/zinc/56/05/20/823560520.db2.gz OXJCJLMZDPONIO-CQSZACIVSA-N 1 0 397.466 4.095 20 0 GIADRO CCCOc1c(Br)cc(C[NH2+]CCOc2ccccc2)cc1OC ZINC000060828775 823560587 /nfs/dbraw/zinc/56/05/87/823560587.db2.gz WBTHJNKMUFEZMF-UHFFFAOYSA-N 1 0 394.309 4.415 20 0 GIADRO CCOc1ccc(C[NH+]2CCC(C(=O)c3ccc(OC)cc3)CC2)cc1OC ZINC000124023276 823560779 /nfs/dbraw/zinc/56/07/79/823560779.db2.gz NSKQIVFPZSUYLB-UHFFFAOYSA-N 1 0 383.488 4.197 20 0 GIADRO CC(C)C[NH+]1CCC(NC(=O)[C@H](C)Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000411274069 823561439 /nfs/dbraw/zinc/56/14/39/823561439.db2.gz PBZMFLPGYJLJBX-OAHLLOKOSA-N 1 0 386.458 4.000 20 0 GIADRO Cc1cn2c(n1)CC[C@H]([NH2+][C@@H](C)c1nnc(-c3ccc(Cl)cc3Cl)o1)C2 ZINC000124033708 823561442 /nfs/dbraw/zinc/56/14/42/823561442.db2.gz YAKFSZRRIDUZOP-AAEUAGOBSA-N 1 0 392.290 4.214 20 0 GIADRO COC1CCC([N@H+](C)CCC(=O)N[C@@H](c2cccs2)c2ccccc2)CC1 ZINC000411277752 823561838 /nfs/dbraw/zinc/56/18/38/823561838.db2.gz XIILGAVIDLCGDQ-OBFZPWGMSA-N 1 0 386.561 4.233 20 0 GIADRO Cc1csc([C@@H](NC(=O)[C@@H](C)[NH+]2CCC(Cc3ccccc3)CC2)C2CC2)n1 ZINC000461034562 823562653 /nfs/dbraw/zinc/56/26/53/823562653.db2.gz ORENRZPCZTVZDJ-UTKZUKDTSA-N 1 0 397.588 4.362 20 0 GIADRO Cc1ccc([C@H](CNc2ccc3nnc(-c4ccccc4)n3n2)[NH+]2CCCC2)cc1 ZINC000060862616 823563215 /nfs/dbraw/zinc/56/32/15/823563215.db2.gz WAEZQYUPRBFMAQ-NRFANRHFSA-N 1 0 398.514 4.349 20 0 GIADRO O=C(CC[NH2+][C@@H](c1ccccc1)c1ccccn1)N[C@@H]1CCCc2ccccc21 ZINC000411320202 823564476 /nfs/dbraw/zinc/56/44/76/823564476.db2.gz FVIUHOCFJNFXKK-RDGATRHJSA-N 1 0 385.511 4.345 20 0 GIADRO CCOC(=O)c1csc(CC[NH2+]Cc2ccc(-c3ccccc3)cc2OC)n1 ZINC000190340183 823564604 /nfs/dbraw/zinc/56/46/04/823564604.db2.gz JWQVIAACRFXYJO-UHFFFAOYSA-N 1 0 396.512 4.328 20 0 GIADRO CO[C@@H](C)c1nc(CN2CCC[N@@H+]([C@H]3C[C@H]3c3cccc(F)c3)CC2)cs1 ZINC000411330245 823564844 /nfs/dbraw/zinc/56/48/44/823564844.db2.gz KSBLHLSNYGKRCZ-YSSFQJQWSA-N 1 0 389.540 4.053 20 0 GIADRO Cc1ccc(NC(=O)C2CC[NH+](Cc3ccc(-c4ncco4)cc3F)CC2)nc1 ZINC000411338568 823565222 /nfs/dbraw/zinc/56/52/22/823565222.db2.gz KHNUCJXCLYLGAE-UHFFFAOYSA-N 1 0 394.450 4.035 20 0 GIADRO Cc1cccc(CN(Cc2ccco2)C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)c1 ZINC000411344795 823565524 /nfs/dbraw/zinc/56/55/24/823565524.db2.gz FUKWSRRFWHCIGW-NRFANRHFSA-N 1 0 398.572 4.334 20 0 GIADRO CCOC(=O)c1csc(CC[NH2+]CC(c2ccccc2)c2ccccc2)n1 ZINC000190353954 823565743 /nfs/dbraw/zinc/56/57/43/823565743.db2.gz IMHUXIWNWDFBJM-UHFFFAOYSA-N 1 0 380.513 4.284 20 0 GIADRO CCOC(=O)c1csc(CC[NH2+]Cc2ccc(-c3ccccc3OC)cc2)n1 ZINC000190353576 823565791 /nfs/dbraw/zinc/56/57/91/823565791.db2.gz IWESAGADIDQLAD-UHFFFAOYSA-N 1 0 396.512 4.328 20 0 GIADRO COc1ccc(CNC(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)cc1 ZINC000060909896 823565927 /nfs/dbraw/zinc/56/59/27/823565927.db2.gz WRBVSDNHFWANNW-GOSISDBHSA-N 1 0 381.520 4.069 20 0 GIADRO O=C(Nc1ccc(Cl)c(Cl)c1)C1CC[NH+](CCc2cncs2)CC1 ZINC000411380292 823567665 /nfs/dbraw/zinc/56/76/65/823567665.db2.gz CTQTUQDHKYBIGY-UHFFFAOYSA-N 1 0 384.332 4.343 20 0 GIADRO CC[NH+](CC)Cc1ccc(NCc2c(C)nn(C)c2OCC(F)(F)F)cc1 ZINC000190379989 823567705 /nfs/dbraw/zinc/56/77/05/823567705.db2.gz ARGHQSOKVSKCAS-UHFFFAOYSA-N 1 0 384.446 4.124 20 0 GIADRO COc1cc([C@@H](C)NC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)ccc1OC(C)C ZINC000060954764 823569088 /nfs/dbraw/zinc/56/90/88/823569088.db2.gz DTMVBEYEWNXQPX-XLIONFOSSA-N 1 0 399.535 4.146 20 0 GIADRO COc1cccc(CNC(=O)NCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)c1 ZINC000060955736 823569327 /nfs/dbraw/zinc/56/93/27/823569327.db2.gz UWJHWOONKOEKQI-OALUTQOASA-N 1 0 395.547 4.173 20 0 GIADRO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H]1CCCc2sccc21 ZINC000124124639 823569753 /nfs/dbraw/zinc/56/97/53/823569753.db2.gz GMFCHDUPQUBFGJ-SMLSOGCJSA-N 1 0 380.557 4.480 20 0 GIADRO CCOc1cc(C[NH2+]C[C@](C)(O)c2ccsc2)ccc1OCC(F)(F)F ZINC000124128674 823570228 /nfs/dbraw/zinc/57/02/28/823570228.db2.gz ALYRTXKGOKFEAY-KRWDZBQOSA-N 1 0 389.439 4.085 20 0 GIADRO CCOc1ccccc1NC(=O)[C@@H]([NH2+]C[C@](C)(OC)C1CC1)c1ccccc1 ZINC000461072862 823570302 /nfs/dbraw/zinc/57/03/02/823570302.db2.gz FMACUPCMGNYBRM-GMAHTHKFSA-N 1 0 382.504 4.170 20 0 GIADRO Fc1cc(-c2ncco2)ccc1C[N@@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000411406337 823570811 /nfs/dbraw/zinc/57/08/11/823570811.db2.gz JAPWKOONAIOPFG-SFHVURJKSA-N 1 0 376.435 4.495 20 0 GIADRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]CCC(=O)Nc1c(Cl)cccc1Cl ZINC000411407171 823570984 /nfs/dbraw/zinc/57/09/84/823570984.db2.gz KTTIUXIGFIGINN-KPZWWZAWSA-N 1 0 387.307 4.034 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)cc1OCC ZINC000124140537 823571227 /nfs/dbraw/zinc/57/12/27/823571227.db2.gz JCQDQJTZHBZXCF-VQIMIIECSA-N 1 0 382.504 4.220 20 0 GIADRO C[C@H]1CCc2c(sc3nc(CC[N@@H+]4CCC[C@H]4c4ccncc4)nc(N)c23)C1 ZINC000411415903 823571654 /nfs/dbraw/zinc/57/16/54/823571654.db2.gz KLBHDRJDWYJLTM-YOEHRIQHSA-N 1 0 393.560 4.173 20 0 GIADRO C[C@H]1CCc2c(sc3nc(CC[N@@H+]4CCC[C@@H]4c4ccncc4)nc(N)c23)C1 ZINC000411415898 823571686 /nfs/dbraw/zinc/57/16/86/823571686.db2.gz KLBHDRJDWYJLTM-WMLDXEAASA-N 1 0 393.560 4.173 20 0 GIADRO COc1cc(Br)ccc1[C@H](C)[NH2+]CCC(=O)Nc1ccccc1C ZINC000190423883 823571802 /nfs/dbraw/zinc/57/18/02/823571802.db2.gz YRYHEWPMRFNFAK-AWEZNQCLSA-N 1 0 391.309 4.446 20 0 GIADRO O=C(c1ccc(-c2cc(F)c(F)c(F)c2)cc1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000461080119 823572103 /nfs/dbraw/zinc/57/21/03/823572103.db2.gz IAAZWMUFNCZXBK-GOSISDBHSA-N 1 0 388.433 4.471 20 0 GIADRO O=C(CC[N@H+](Cc1cccnc1)C1CC1)N[C@@H](c1cccs1)c1ccccc1 ZINC000411421959 823572325 /nfs/dbraw/zinc/57/23/25/823572325.db2.gz SAHPOKNVJWULCH-HSZRJFAPSA-N 1 0 391.540 4.403 20 0 GIADRO C[C@@H](c1cccnc1)[N@H+](C)CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000411423994 823572553 /nfs/dbraw/zinc/57/25/53/823572553.db2.gz PJFXVQQKXUCCDG-HTAPYJJXSA-N 1 0 379.529 4.432 20 0 GIADRO COc1ccccc1CCNC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000061011801 823572631 /nfs/dbraw/zinc/57/26/31/823572631.db2.gz UMRMFCIATOPBTN-UHFFFAOYSA-N 1 0 395.547 4.113 20 0 GIADRO CC[N@@H+]1CCC[C@@H]1CNCc1c(C)nn(Cc2ccccc2Cl)c1Cl ZINC000061012595 823572690 /nfs/dbraw/zinc/57/26/90/823572690.db2.gz CDWFSWDTEGVPKK-MRXNPFEDSA-N 1 0 381.351 4.121 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCN(c2c(F)cccc2F)C1=O)c1ccc(OC(F)F)cc1 ZINC000124155467 823572750 /nfs/dbraw/zinc/57/27/50/823572750.db2.gz AVDMANSZAFHIHA-BZNIZROVSA-N 1 0 382.357 4.022 20 0 GIADRO C[C@@H]1CCc2c(sc3nc(CC[N@@H+]4CCC[C@@H]4c4cccnc4)nc(N)c23)C1 ZINC000411424188 823572795 /nfs/dbraw/zinc/57/27/95/823572795.db2.gz VZWFLDMTSNDKTI-RHSMWYFYSA-N 1 0 393.560 4.173 20 0 GIADRO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]C[C@@H](C)c1cccc(Br)c1 ZINC000190434357 823573364 /nfs/dbraw/zinc/57/33/64/823573364.db2.gz XCKZRRGGXZUCPN-JLSDUUJJSA-N 1 0 392.341 4.279 20 0 GIADRO OCC[C@H]([NH2+][C@H]1CCCc2nc(-c3ccc(F)cc3)sc21)C1CCOCC1 ZINC000461084873 823573528 /nfs/dbraw/zinc/57/35/28/823573528.db2.gz JLRWGJNMHQNDDS-ROUUACIJSA-N 1 0 390.524 4.094 20 0 GIADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000124165830 823573622 /nfs/dbraw/zinc/57/36/22/823573622.db2.gz XKPKVSOIAWYDMV-UHFFFAOYSA-N 1 0 382.435 4.415 20 0 GIADRO O=S1(=O)CCCN1c1ccc(C[NH2+][C@H]2CCCC[C@H](c3ccccc3)C2)cc1 ZINC000461085877 823573624 /nfs/dbraw/zinc/57/36/24/823573624.db2.gz VWUDTKIDYKWEAN-VXKWHMMOSA-N 1 0 398.572 4.433 20 0 GIADRO CCN(CCc1ccccc1)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000061021228 823573705 /nfs/dbraw/zinc/57/37/05/823573705.db2.gz IOYSEYGLTGHVIF-UHFFFAOYSA-N 1 0 385.577 4.234 20 0 GIADRO CCNC(=O)COc1cccc(C[NH2+][C@@H](CC)c2cccc(Cl)c2F)c1 ZINC000461086909 823574030 /nfs/dbraw/zinc/57/40/30/823574030.db2.gz HRPVPNOWOHCSFN-SFHVURJKSA-N 1 0 378.875 4.235 20 0 GIADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]Cc2ccc3ccccc3c2)cc1 ZINC000061029493 823574238 /nfs/dbraw/zinc/57/42/38/823574238.db2.gz QXOMJQHLZMRTMW-UHFFFAOYSA-N 1 0 382.529 4.160 20 0 GIADRO CCC[NH+]1CCC(NC(=O)c2ccccc2CSc2nc(C)cs2)CC1 ZINC000061031590 823574435 /nfs/dbraw/zinc/57/44/35/823574435.db2.gz NFCGJHDTDPEDOS-UHFFFAOYSA-N 1 0 389.590 4.348 20 0 GIADRO CC[C@@]1(C)Oc2ccc(NC(=O)NCC3CCN(c4cc[nH+]cc4)CC3)cc2O1 ZINC000190440892 823574531 /nfs/dbraw/zinc/57/45/31/823574531.db2.gz SZDSAFHXHCTKGC-QFIPXVFZSA-N 1 0 396.491 4.017 20 0 GIADRO COC(=O)c1cc(C[NH2+][C@H](C)c2ccc(OCC(C)C)c(OC)c2)cs1 ZINC000411442696 823574559 /nfs/dbraw/zinc/57/45/59/823574559.db2.gz AJTMWXYIQXLHEW-CQSZACIVSA-N 1 0 377.506 4.429 20 0 GIADRO CC[C@]1(C)Oc2ccc(NC(=O)N3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cc2O1 ZINC000190441706 823574729 /nfs/dbraw/zinc/57/47/29/823574729.db2.gz UZQFJKPWSTWJQJ-YBOAYWMSSA-N 1 0 385.508 4.065 20 0 GIADRO O=C(NC1CC1)c1ccc(C[NH2+]Cc2cccc(OCc3ccccc3)c2)cc1 ZINC000061044433 823575152 /nfs/dbraw/zinc/57/51/52/823575152.db2.gz ROQRZOUVZRFPAB-UHFFFAOYSA-N 1 0 386.495 4.448 20 0 GIADRO COc1cccc([C@@H](C)[NH2+]CCC(=O)Nc2cc(OC)c(Cl)cc2OC)c1 ZINC000411447875 823575419 /nfs/dbraw/zinc/57/54/19/823575419.db2.gz BQKVHOKQVUJJMQ-CYBMUJFWSA-N 1 0 392.883 4.045 20 0 GIADRO COc1ccc2c(c1)CCC[C@@H]2C[NH2+][C@@H](C)CC(=O)Nc1cccnc1Cl ZINC000124185238 823575448 /nfs/dbraw/zinc/57/54/48/823575448.db2.gz NRDUJUVCLWPPLL-GOEBONIOSA-N 1 0 387.911 4.170 20 0 GIADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C(=O)Nc2ccccc2)c2ccccc2)C[C@H]1C ZINC000461094168 823575496 /nfs/dbraw/zinc/57/54/96/823575496.db2.gz JWBTYKDFWBBSRL-YCZSINBZSA-N 1 0 394.515 4.324 20 0 GIADRO O=C(CC[NH2+]C1(c2ccc(Br)cc2)CC1)Nc1ccccc1F ZINC000411448158 823575629 /nfs/dbraw/zinc/57/56/29/823575629.db2.gz DYGRYDFORLAFBW-UHFFFAOYSA-N 1 0 377.257 4.196 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000411450476 823575786 /nfs/dbraw/zinc/57/57/86/823575786.db2.gz DWKPFAFPPYXEDQ-KRWDZBQOSA-N 1 0 376.504 4.477 20 0 GIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NCc2cc(-c3ccco3)on2)CC1 ZINC000411449867 823575807 /nfs/dbraw/zinc/57/58/07/823575807.db2.gz FPCPZNKTWWEZTN-INIZCTEOSA-N 1 0 398.482 4.066 20 0 GIADRO COc1ccc(CNC(=O)C[NH2+][C@H](C)c2ccc(-c3cccs3)cc2)cc1 ZINC000461098108 823576655 /nfs/dbraw/zinc/57/66/55/823576655.db2.gz MPJOJCRBKSJBOV-MRXNPFEDSA-N 1 0 380.513 4.391 20 0 GIADRO Clc1ccc(-c2noc(CC[NH2+][C@H](c3ccccc3)[C@H]3CCOC3)n2)cc1 ZINC000411458543 823577068 /nfs/dbraw/zinc/57/70/68/823577068.db2.gz JKNOZUNAIRCPMG-FXAWDEMLSA-N 1 0 383.879 4.300 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CCC(=O)Nc2cc(OC)c(Cl)cc2OC)cc1 ZINC000411458683 823577127 /nfs/dbraw/zinc/57/71/27/823577127.db2.gz LYHHNDGEIUBLEQ-ZDUSSCGKSA-N 1 0 392.883 4.045 20 0 GIADRO O=C(CC[NH2+][C@@H](c1ccccc1)[C@H]1CCOC1)Nc1ccc(Cl)cc1F ZINC000411459679 823577167 /nfs/dbraw/zinc/57/71/67/823577167.db2.gz KTQLLIJRVNJRAZ-YWZLYKJASA-N 1 0 376.859 4.175 20 0 GIADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)[C@@H]1CCSc2ccccc21 ZINC000461100866 823577335 /nfs/dbraw/zinc/57/73/35/823577335.db2.gz BOWWFAKEPMKCIK-TZIWHRDSSA-N 1 0 395.572 4.174 20 0 GIADRO CCCCOc1ccc([C@@H](C)[NH2+]CCc2nc3ccccc3c(=O)[nH]2)cc1OC ZINC000411461669 823577550 /nfs/dbraw/zinc/57/75/50/823577550.db2.gz SWLSRIUSTJYZRA-MRXNPFEDSA-N 1 0 395.503 4.416 20 0 GIADRO COc1cc(Br)ccc1[C@H](C)[NH2+]Cc1cc(F)cc(C(C)=O)c1O ZINC000190463676 823577946 /nfs/dbraw/zinc/57/79/46/823577946.db2.gz WMGOTCKJVXRRTP-JTQLQIEISA-N 1 0 396.256 4.356 20 0 GIADRO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(OC)c(O[C@@H](C)CC)c2)C1 ZINC000124214968 823578018 /nfs/dbraw/zinc/57/80/18/823578018.db2.gz VNDFDBPEGACACN-PKOBYXMFSA-N 1 0 376.541 4.001 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2ccccc2Br)cc1F ZINC000411466446 823578128 /nfs/dbraw/zinc/57/81/28/823578128.db2.gz ZQICOSYSPCPYAJ-GFCCVEGCSA-N 1 0 395.272 4.276 20 0 GIADRO CCc1nn(C)c(CC)c1CC(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000190465870 823578322 /nfs/dbraw/zinc/57/83/22/823578322.db2.gz RZJGCKAOFMUZNB-UHFFFAOYSA-N 1 0 382.552 4.102 20 0 GIADRO CC(C)CN(CC[NH+](C)C)C(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 ZINC000461106846 823578595 /nfs/dbraw/zinc/57/85/95/823578595.db2.gz ANTCSWPDIXIOLQ-UHFFFAOYSA-N 1 0 378.438 4.431 20 0 GIADRO CSc1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2cccc(N3CCCC3)c2)cc1 ZINC000411472351 823578763 /nfs/dbraw/zinc/57/87/63/823578763.db2.gz HJUZCGWKYUIVPL-XLIONFOSSA-N 1 0 386.561 4.099 20 0 GIADRO C[NH+](C)C1(CNC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)CCCC1 ZINC000061114355 823578883 /nfs/dbraw/zinc/57/88/83/823578883.db2.gz KMWKZLBDGGUSNU-SFHVURJKSA-N 1 0 375.513 4.150 20 0 GIADRO CC(C)c1nn(C)c(Cl)c1C[NH2+]C[C@@H](O)c1c(Cl)cccc1Cl ZINC000124230266 823579470 /nfs/dbraw/zinc/57/94/70/823579470.db2.gz MBGJMZHEQFYTFX-CYBMUJFWSA-N 1 0 376.715 4.327 20 0 GIADRO COC(=O)c1c(C)[nH]c(C(=O)C[NH2+][C@H](C)c2ccc(-c3cccnc3)cc2)c1C ZINC000411478736 823579690 /nfs/dbraw/zinc/57/96/90/823579690.db2.gz SOLQRVBVVOJGGY-OAHLLOKOSA-N 1 0 391.471 4.014 20 0 GIADRO Cc1ccc([C@H](CNC(=O)NC2CCC(OC(C)C)CC2)[NH+]2CCCC2)cc1 ZINC000124235286 823579767 /nfs/dbraw/zinc/57/97/67/823579767.db2.gz XAQODPSARAQBCI-HRTMPFAESA-N 1 0 387.568 4.167 20 0 GIADRO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(-n3ccnc3C)cc2)c1C ZINC000411481438 823579962 /nfs/dbraw/zinc/57/99/62/823579962.db2.gz XMEGJOOJSNPYGH-GOEBONIOSA-N 1 0 392.503 4.250 20 0 GIADRO COc1cc(NC(=O)CC[NH2+][C@@H](C)c2ccccc2Cl)cc(OC)c1OC ZINC000411481572 823580117 /nfs/dbraw/zinc/58/01/17/823580117.db2.gz JVWQLIIQJQGDLH-ZDUSSCGKSA-N 1 0 392.883 4.045 20 0 GIADRO CC[C@@H]([NH2+]CCC(=O)Nc1ccc(OCc2ccccc2)cc1)C1CCOCC1 ZINC000411482245 823580124 /nfs/dbraw/zinc/58/01/24/823580124.db2.gz SIWOQYCHNMCZOU-HSZRJFAPSA-N 1 0 396.531 4.389 20 0 GIADRO CCCc1ncc(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)s1 ZINC000461115070 823580167 /nfs/dbraw/zinc/58/01/67/823580167.db2.gz DVOGWJRLELOIJU-UHFFFAOYSA-N 1 0 391.968 4.391 20 0 GIADRO CC[C@H]([NH2+]CCC(=O)N[C@@H](c1cccs1)c1ccccc1)C1CCOCC1 ZINC000411484417 823580361 /nfs/dbraw/zinc/58/03/61/823580361.db2.gz XYWNLVXRTWQSIJ-SIKLNZKXSA-N 1 0 386.561 4.139 20 0 GIADRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CCc3c(C)nn(C)c3C)s2)cc1 ZINC000124241366 823580358 /nfs/dbraw/zinc/58/03/58/823580358.db2.gz ZUMWLWBOGLNROG-AWEZNQCLSA-N 1 0 384.549 4.371 20 0 GIADRO CCCc1cccc(C(C)C)c1NC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000190491370 823580664 /nfs/dbraw/zinc/58/06/64/823580664.db2.gz AOFXCBRKGPKNQX-UHFFFAOYSA-N 1 0 387.568 4.080 20 0 GIADRO COc1ccc(C2(C[NH2+]Cc3cc4cc(OC)ccc4o3)CCOCC2)cc1 ZINC000124250967 823581072 /nfs/dbraw/zinc/58/10/72/823581072.db2.gz KDULDDBDBIDAEX-UHFFFAOYSA-N 1 0 381.472 4.288 20 0 GIADRO C[C@H](N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1)c1noc(-c2ccccc2)n1 ZINC000124258990 823581723 /nfs/dbraw/zinc/58/17/23/823581723.db2.gz KWFQHEAEPGRXGX-IRXDYDNUSA-N 1 0 380.492 4.089 20 0 GIADRO O=C(CC[NH2+][C@H](c1cccnc1)C1CC1)N[C@@H](c1cccs1)c1ccccc1 ZINC000411507661 823582388 /nfs/dbraw/zinc/58/23/88/823582388.db2.gz SGBREMZWUGBWCL-XZOQPEGZSA-N 1 0 391.540 4.480 20 0 GIADRO CC[C@@H]([NH2+]CCC(=O)Nc1cc(OC)c(Cl)cc1OC)c1cccs1 ZINC000411510307 823582584 /nfs/dbraw/zinc/58/25/84/823582584.db2.gz GEYKXTGFISNPOS-CYBMUJFWSA-N 1 0 382.913 4.488 20 0 GIADRO CCC[C@@H]([NH2+]CCC(=O)Nc1cccc2ccccc21)c1nnc2ccccn21 ZINC000411512729 823582864 /nfs/dbraw/zinc/58/28/64/823582864.db2.gz MVNJOYRDSRWPEH-HXUWFJFHSA-N 1 0 387.487 4.342 20 0 GIADRO C[C@@H]([C@H](C)[NH2+]Cc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)C1CCCCC1 ZINC000411512993 823582988 /nfs/dbraw/zinc/58/29/88/823582988.db2.gz BZJJNQNXPMOAAY-HOTGVXAUSA-N 1 0 379.508 4.216 20 0 GIADRO COC[C@H]([NH2+]CCC(=O)N[C@H](c1cccs1)c1ccccc1)c1ccc(C)o1 ZINC000411515738 823583256 /nfs/dbraw/zinc/58/32/56/823583256.db2.gz WFHJOICJLZGCCX-AVRDEDQJSA-N 1 0 398.528 4.223 20 0 GIADRO CC[C@H]([NH2+]CCc1nc2ccccc2c(=O)[nH]1)c1nc(C(F)(F)F)cs1 ZINC000411516392 823583501 /nfs/dbraw/zinc/58/35/01/823583501.db2.gz JRYUCRYIMXUFSA-NSHDSACASA-N 1 0 382.411 4.094 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)NCCc1nc(C)cs1)c1ccccc1Cl ZINC000061193842 823583570 /nfs/dbraw/zinc/58/35/70/823583570.db2.gz JNMCEPWGAYSATE-KRWDZBQOSA-N 1 0 394.972 4.030 20 0 GIADRO Cc1csc([C@@H](C)[NH2+]CCC(=O)N[C@@H](c2cccs2)c2ccccc2)n1 ZINC000411518276 823583675 /nfs/dbraw/zinc/58/36/75/823583675.db2.gz IBBAXTPVKSUKRG-DNVCBOLYSA-N 1 0 385.558 4.460 20 0 GIADRO Cc1csc(C2([NH2+]CCC(=O)Nc3cccc(Br)c3)CCC2)n1 ZINC000411519060 823583898 /nfs/dbraw/zinc/58/38/98/823583898.db2.gz KZKCBTWGUFMIQH-UHFFFAOYSA-N 1 0 394.338 4.212 20 0 GIADRO NC(=O)C[C@H]([NH2+]CCC(=O)Nc1ccccc1-c1ccccc1)C1CCCCC1 ZINC000411519072 823583994 /nfs/dbraw/zinc/58/39/94/823583994.db2.gz RASZRELQLFFXMH-QFIPXVFZSA-N 1 0 393.531 4.096 20 0 GIADRO CCN(Cc1nc2ccc(Cl)cc2c(=O)[nH]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000411523819 823584444 /nfs/dbraw/zinc/58/44/44/823584444.db2.gz GUCHZXYUNRRXKF-GOSISDBHSA-N 1 0 396.922 4.085 20 0 GIADRO C[C@H]([NH2+]CCC(=O)N1CCc2sccc2C1)c1nc(C(C)(C)C)cs1 ZINC000411523481 823584516 /nfs/dbraw/zinc/58/45/16/823584516.db2.gz YOGZTILQSQTOAJ-ZDUSSCGKSA-N 1 0 377.579 4.128 20 0 GIADRO CCOc1cccc2cc([C@@H](C)[NH2+]CCc3nc4ccccc4c(=O)[nH]3)oc21 ZINC000411524916 823584712 /nfs/dbraw/zinc/58/47/12/823584712.db2.gz BLHLJAXOIQVBDD-CQSZACIVSA-N 1 0 377.444 4.374 20 0 GIADRO CCCCCc1ccc(C(=O)CCC(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000061210287 823584738 /nfs/dbraw/zinc/58/47/38/823584738.db2.gz LPOGAXYRGXMRDE-UHFFFAOYSA-N 1 0 393.531 4.126 20 0 GIADRO CCCOc1ccc(NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)cc1Cl ZINC000411530847 823585039 /nfs/dbraw/zinc/58/50/39/823585039.db2.gz JOARJNSJYPZNPB-MRXNPFEDSA-N 1 0 382.957 4.285 20 0 GIADRO C[C@H](NCc1cccc(C[NH+]2CCCCC2)c1)c1cn(-c2ccccc2)nn1 ZINC000411532166 823585292 /nfs/dbraw/zinc/58/52/92/823585292.db2.gz KRDKKXNXUAKVMQ-IBGZPJMESA-N 1 0 375.520 4.104 20 0 GIADRO Cc1c([C@H](C)[NH2+]CCC(=O)Nc2ccc(Oc3ccccc3)cc2)cnn1C ZINC000411531556 823585346 /nfs/dbraw/zinc/58/53/46/823585346.db2.gz KOOGVIHUINCETB-INIZCTEOSA-N 1 0 378.476 4.200 20 0 GIADRO C[C@@H]([NH2+]CCC(=O)Nc1cc(Cl)ccc1Cl)[C@@H]1COc2ccccc21 ZINC000411534662 823585736 /nfs/dbraw/zinc/58/57/36/823585736.db2.gz OWBFWUJLXOYBGW-DOMZBBRYSA-N 1 0 379.287 4.476 20 0 GIADRO C[C@H]([NH2+]CCC(=O)Nc1cc(Cl)ccc1Cl)[C@@H]1COc2ccccc21 ZINC000411534670 823585811 /nfs/dbraw/zinc/58/58/11/823585811.db2.gz OWBFWUJLXOYBGW-WFASDCNBSA-N 1 0 379.287 4.476 20 0 GIADRO CC(=O)Nc1cccc(C(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1C ZINC000190555381 823585804 /nfs/dbraw/zinc/58/58/04/823585804.db2.gz DGNYUPBHZMXUGM-KRWDZBQOSA-N 1 0 393.531 4.115 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCCc2c(O)cccc21 ZINC000190558801 823586430 /nfs/dbraw/zinc/58/64/30/823586430.db2.gz SIAFTTQOIAEWCX-NZQKXSOJSA-N 1 0 392.543 4.183 20 0 GIADRO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C[NH2+][C@@H]1CCCC[C@H]1C(N)=O ZINC000411539923 823586507 /nfs/dbraw/zinc/58/65/07/823586507.db2.gz MWKNUNJWLJYWQA-HUUCEWRRSA-N 1 0 397.466 4.271 20 0 GIADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(NC(=O)c3cccs3)c2)C1 ZINC000124315179 823586562 /nfs/dbraw/zinc/58/65/62/823586562.db2.gz BVFPFWJLXHZHQR-KRWDZBQOSA-N 1 0 399.560 4.098 20 0 GIADRO O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)c1c[nH]c(=O)c2ccccc12 ZINC000190563098 823586874 /nfs/dbraw/zinc/58/68/74/823586874.db2.gz UAEOTBBDLFFAED-UHFFFAOYSA-N 1 0 375.472 4.156 20 0 GIADRO CC(=O)Nc1cccc(C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)c1C ZINC000190564613 823587005 /nfs/dbraw/zinc/58/70/05/823587005.db2.gz INUBNAMHJUDCQZ-KRWDZBQOSA-N 1 0 393.531 4.258 20 0 GIADRO S=C(NCCSc1ccccc1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000061246905 823587177 /nfs/dbraw/zinc/58/71/77/823587177.db2.gz WQQNFMSJMJYSLJ-QGZVFWFLSA-N 1 0 391.631 4.141 20 0 GIADRO COc1ccc(CN(C)C(=O)C[N@H+](Cc2cccc(Cl)c2)C(C)C)cc1F ZINC000061254836 823587427 /nfs/dbraw/zinc/58/74/27/823587427.db2.gz KSOPCDDZPSUYPH-UHFFFAOYSA-N 1 0 392.902 4.357 20 0 GIADRO Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)[N@H+](C)CCCn2ccnc2)c1 ZINC000124331326 823587765 /nfs/dbraw/zinc/58/77/65/823587765.db2.gz DSILTZFYRCHEPK-JOCHJYFZSA-N 1 0 376.504 4.202 20 0 GIADRO Brc1ccc([C@H]([NH2+]Cc2cccnc2-n2cccn2)C2CC2)s1 ZINC000190581912 823588278 /nfs/dbraw/zinc/58/82/78/823588278.db2.gz HIXBMLGLQHJFTN-MRXNPFEDSA-N 1 0 389.322 4.332 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)CCc2nnc(-c3ccsc3)o2)cc1 ZINC000190587228 823588607 /nfs/dbraw/zinc/58/86/07/823588607.db2.gz KEJBTHDQSUOOFR-UHFFFAOYSA-N 1 0 384.505 4.211 20 0 GIADRO C[C@@H](CNC(=O)c1ccc(C2SCCCS2)cc1)[NH+]1CCC(C)CC1 ZINC000124348671 823589083 /nfs/dbraw/zinc/58/90/83/823589083.db2.gz MCYZARIZUWCWKF-INIZCTEOSA-N 1 0 378.607 4.406 20 0 GIADRO Cc1cccc(OCCC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)c1C ZINC000061285986 823589572 /nfs/dbraw/zinc/58/95/72/823589572.db2.gz KBNMKHJLQLHDAI-UHFFFAOYSA-N 1 0 384.545 4.260 20 0 GIADRO C[C@H](CO)[N@H+](Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C1CCCC1 ZINC000411611610 823590610 /nfs/dbraw/zinc/59/06/10/823590610.db2.gz ZFOCXTOTIOPOCP-CQSZACIVSA-N 1 0 383.517 4.189 20 0 GIADRO COc1cccc([C@@H](O)C[NH2+][C@@H](c2ccc(Br)s2)C2CC2)c1 ZINC000190605105 823590792 /nfs/dbraw/zinc/59/07/92/823590792.db2.gz XRINTDBPUBJHKD-WMLDXEAASA-N 1 0 382.323 4.294 20 0 GIADRO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+][C@@H](CCCO)c1ccccc1 ZINC000124370177 823590937 /nfs/dbraw/zinc/59/09/37/823590937.db2.gz WKCMSAKNWLUUCD-NRFANRHFSA-N 1 0 385.458 4.371 20 0 GIADRO COc1ccc(OC)c([C@@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)c2cc3ccccc3o2)c1 ZINC000190620516 823592278 /nfs/dbraw/zinc/59/22/78/823592278.db2.gz YAOUTJMEMIQAQK-OAGGEKHMSA-N 1 0 396.487 4.367 20 0 GIADRO O=C(CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)Nc1cc(Cl)ccc1Cl ZINC000411634059 823592614 /nfs/dbraw/zinc/59/26/14/823592614.db2.gz UFYWOTSVVMWKJZ-VHSSKADRSA-N 1 0 383.319 4.259 20 0 GIADRO Cn1nc(-c2ccccc2)c(C[NH2+]CCCc2nc3ccccc3n2C)c1Cl ZINC000124389522 823592703 /nfs/dbraw/zinc/59/27/03/823592703.db2.gz POABUBFCBICPNP-UHFFFAOYSA-N 1 0 393.922 4.350 20 0 GIADRO C[C@@H]([NH2+]C1CCN(Cc2ccccc2Cl)CC1)[C@@H](O)c1ccc(F)cc1 ZINC000124395380 823593184 /nfs/dbraw/zinc/59/31/84/823593184.db2.gz KDVVKBUWECOIKP-QVKFZJNVSA-N 1 0 376.903 4.155 20 0 GIADRO O=C(CC[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1)NCc1ccccc1Cl ZINC000411646536 823593665 /nfs/dbraw/zinc/59/36/65/823593665.db2.gz MHIFTXQASLKGBH-AZUAARDMSA-N 1 0 393.314 4.120 20 0 GIADRO CC(C)(CO)[C@@H]([NH2+]CCC(=O)Nc1ccc(Cl)cc1F)c1ccccc1 ZINC000411646690 823593721 /nfs/dbraw/zinc/59/37/21/823593721.db2.gz WBXOHLLTBKBIID-IBGZPJMESA-N 1 0 378.875 4.157 20 0 GIADRO Cc1ccoc1C(=O)NCCC[NH2+][C@H](c1ccc(Br)s1)C1CC1 ZINC000190636725 823593936 /nfs/dbraw/zinc/59/39/36/823593936.db2.gz XHYLLOSVWNYBCF-HNNXBMFYSA-N 1 0 397.338 4.273 20 0 GIADRO Cc1ccc(-c2ncc(C(=O)NCc3cccc(C[NH+](C)C)c3)s2)c(C)c1 ZINC000061381346 823594186 /nfs/dbraw/zinc/59/41/86/823594186.db2.gz KUBCOIJNUHSEGT-UHFFFAOYSA-N 1 0 379.529 4.419 20 0 GIADRO O=C(CC[N@@H+]1CCC[C@H]1c1cc[nH]n1)Nc1ccc(Oc2ccccc2)cc1 ZINC000411651393 823594281 /nfs/dbraw/zinc/59/42/81/823594281.db2.gz CMJUCROFLPBDCR-NRFANRHFSA-N 1 0 376.460 4.368 20 0 GIADRO Cc1cc(N2CCCC2)ccc1NC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000124426096 823595841 /nfs/dbraw/zinc/59/58/41/823595841.db2.gz HRQRMUOYTPNGCT-OAQYLSRUSA-N 1 0 392.547 4.381 20 0 GIADRO CCOc1ccccc1NC(=O)CC[N@H+](C)C1CCN(c2ccccc2)CC1 ZINC000411667452 823595893 /nfs/dbraw/zinc/59/58/93/823595893.db2.gz NBUCPDDJYMTIHJ-UHFFFAOYSA-N 1 0 381.520 4.015 20 0 GIADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1csc(-c2cccc(C(F)(F)F)c2)n1 ZINC000124430633 823596139 /nfs/dbraw/zinc/59/61/39/823596139.db2.gz NCNPWLKVDNEDAA-GFCCVEGCSA-N 1 0 395.450 4.043 20 0 GIADRO Cc1nc(C(C)(C)C)sc1C(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000061429443 823596771 /nfs/dbraw/zinc/59/67/71/823596771.db2.gz ZOUPXUKPKDNASS-UHFFFAOYSA-N 1 0 377.529 4.092 20 0 GIADRO CCN1CC[C@H]([NH2+]Cc2cc(-c3ccco3)on2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000411690364 823597369 /nfs/dbraw/zinc/59/73/69/823597369.db2.gz HLEDXJIMHGVPQS-OXJNMPFZSA-N 1 0 391.393 4.277 20 0 GIADRO C[C@H]([NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1)[C@H](O)c1ccc(F)cc1 ZINC000124455739 823598188 /nfs/dbraw/zinc/59/81/88/823598188.db2.gz WXORYQBTIBCPTJ-BTYIYWSLSA-N 1 0 376.903 4.155 20 0 GIADRO C[C@@H]1CCCCN1C(=O)C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000411704828 823598295 /nfs/dbraw/zinc/59/82/95/823598295.db2.gz USPXDCHNMVINFX-FOIQADDNSA-N 1 0 398.469 4.164 20 0 GIADRO CCS[C@@H]1CCC[C@H]1[NH2+]CCC(=O)Nc1ccc(Br)cc1F ZINC000411718485 823599455 /nfs/dbraw/zinc/59/94/55/823599455.db2.gz JRYJAOZOPOWCAM-HUUCEWRRSA-N 1 0 389.334 4.181 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)c2cc(C3CC3)nc3onc(C(C)C)c32)CC1 ZINC000461214228 823599961 /nfs/dbraw/zinc/59/99/61/823599961.db2.gz SANYILONHJXWRS-UHFFFAOYSA-N 1 0 384.524 4.075 20 0 GIADRO Cc1ccc(-c2nc(CC(=O)NC[C@H]3CCC[N@@H+](CC(C)C)C3)cs2)cc1 ZINC000124481208 823600290 /nfs/dbraw/zinc/60/02/90/823600290.db2.gz WKOFSMDFEUUQJL-GOSISDBHSA-N 1 0 385.577 4.145 20 0 GIADRO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1[NH2+]CCc1nc(-c2ccccc2)no1 ZINC000411725938 823600406 /nfs/dbraw/zinc/60/04/06/823600406.db2.gz GVHXUOBBCMCEHN-PWRODBHTSA-N 1 0 377.488 4.220 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)[C@@H](C)Oc2ccccc2Cc2ccccc2)CC1 ZINC000461218588 823600502 /nfs/dbraw/zinc/60/05/02/823600502.db2.gz OIYVDGWROQCPAL-HXUWFJFHSA-N 1 0 394.559 4.283 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)Cc2sc(C)nc2-c2ccc(C)cc2)CC1 ZINC000461218259 823600528 /nfs/dbraw/zinc/60/05/28/823600528.db2.gz OOFBMXQDRNVSFB-UHFFFAOYSA-N 1 0 385.577 4.208 20 0 GIADRO C[C@@H]1c2nnc(C3CCCC3)n2CCN1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411737068 823600978 /nfs/dbraw/zinc/60/09/78/823600978.db2.gz GZKOSTIBRRYRLV-LJQANCHMSA-N 1 0 393.579 4.498 20 0 GIADRO CC(C)(CO)[C@H]([NH2+]CCC(=O)Nc1ccc(Cl)cc1F)c1cccs1 ZINC000411735897 823600991 /nfs/dbraw/zinc/60/09/91/823600991.db2.gz LCAGTSBROZZSNZ-QGZVFWFLSA-N 1 0 384.904 4.219 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)CC1 ZINC000461223955 823601093 /nfs/dbraw/zinc/60/10/93/823601093.db2.gz RIAPVUSNKXYVLH-LJQANCHMSA-N 1 0 380.532 4.359 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)c2ccccc2SCc2cscn2)CC1 ZINC000461227073 823601461 /nfs/dbraw/zinc/60/14/61/823601461.db2.gz CJBFANHOHONROR-UHFFFAOYSA-N 1 0 389.590 4.287 20 0 GIADRO COC[C@@H]([NH2+]CCC(=O)Nc1ccccc1SC)c1cccc(Cl)c1 ZINC000411742249 823601564 /nfs/dbraw/zinc/60/15/64/823601564.db2.gz DQWGIHFHTYUGFY-QGZVFWFLSA-N 1 0 378.925 4.368 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2ccccc2SC)c(C)c1OC ZINC000411742501 823601569 /nfs/dbraw/zinc/60/15/69/823601569.db2.gz QZLSRPUUZPVXFA-OAHLLOKOSA-N 1 0 388.533 4.414 20 0 GIADRO COc1cc(Cl)c(F)c(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)c1 ZINC000411744664 823601930 /nfs/dbraw/zinc/60/19/30/823601930.db2.gz MHCPQAUICKXCSB-UHFFFAOYSA-N 1 0 394.899 4.289 20 0 GIADRO COc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000411746284 823602055 /nfs/dbraw/zinc/60/20/55/823602055.db2.gz RZZNJEKSUNTINJ-LEWJYISDSA-N 1 0 396.556 4.029 20 0 GIADRO CSc1ccccc1NC(=O)CC[NH2+][C@@H](c1ccccc1)C1(CO)CCC1 ZINC000411754882 823602584 /nfs/dbraw/zinc/60/25/84/823602584.db2.gz HIJHTANDQRPZQL-NRFANRHFSA-N 1 0 384.545 4.231 20 0 GIADRO CC[NH2+]Cc1ccccc1NC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 ZINC000124514872 823602692 /nfs/dbraw/zinc/60/26/92/823602692.db2.gz RXUZYILVQBMBAP-UHFFFAOYSA-N 1 0 396.441 4.001 20 0 GIADRO CC1(C)C[C@H](C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c2ccccc2O1 ZINC000411759579 823602964 /nfs/dbraw/zinc/60/29/64/823602964.db2.gz PYZROLZMXVFPBP-XLIONFOSSA-N 1 0 398.572 4.421 20 0 GIADRO CC1(C)CC(NC(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)CC(C)(C)[NH2+]1 ZINC000061550336 823603002 /nfs/dbraw/zinc/60/30/02/823603002.db2.gz JRRLPVYVVARCKM-UHFFFAOYSA-N 1 0 386.471 4.444 20 0 GIADRO C[C@H](NCc1cccc(C[NH+]2CCCCC2)c1)c1ncc(Br)cn1 ZINC000411760379 823603229 /nfs/dbraw/zinc/60/32/29/823603229.db2.gz RYRPZTNGKXDNBO-HNNXBMFYSA-N 1 0 389.341 4.076 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)c(CC(=O)NCCC[NH+]2CCC(C)CC2)s1 ZINC000061553489 823603301 /nfs/dbraw/zinc/60/33/01/823603301.db2.gz FGDIQIYHCVTZJH-UHFFFAOYSA-N 1 0 385.577 4.208 20 0 GIADRO CC(C)Oc1ccc(CNC(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000061553722 823603312 /nfs/dbraw/zinc/60/33/12/823603312.db2.gz LNCRQQARNZUJSM-UHFFFAOYSA-N 1 0 395.547 4.459 20 0 GIADRO CCOc1cc(C[NH2+][C@@H](c2ccccc2)C(C)C)ccc1O[C@@H](C)C(=O)N(C)C ZINC000061557812 823603802 /nfs/dbraw/zinc/60/38/02/823603802.db2.gz FWGOKPFMZIAOSR-FDDCHVKYSA-N 1 0 398.547 4.428 20 0 GIADRO C[C@@H]1C[N@H+](C[C@H]2CCC(C)(C)O2)C2(CCCC2)CN1C[C@@H]1CCC(C)(C)O1 ZINC000411788449 823604777 /nfs/dbraw/zinc/60/47/77/823604777.db2.gz LKIBYNSSQVZSSD-HSALFYBXSA-N 1 0 378.601 4.221 20 0 GIADRO CC1(C)[C@H]([NH2+]CCC(=O)Nc2ccccc2Oc2ccccc2)[C@@H]2CCO[C@H]21 ZINC000411789662 823604912 /nfs/dbraw/zinc/60/49/12/823604912.db2.gz GGORWBGKJRGGPE-MTNREXPMSA-N 1 0 380.488 4.211 20 0 GIADRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@@H]1C[C@]1(F)c1ccccc1 ZINC000411790841 823605084 /nfs/dbraw/zinc/60/50/84/823605084.db2.gz KGHNNRLGMLDKHW-UGKGYDQZSA-N 1 0 384.520 4.367 20 0 GIADRO Cc1cccc(OCCCNC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)c1 ZINC000061600084 823606136 /nfs/dbraw/zinc/60/61/36/823606136.db2.gz AJGQLYCWDIHFIY-UHFFFAOYSA-N 1 0 383.536 4.104 20 0 GIADRO COc1c(C)cnc(C[N@H+](C)CCc2nc(-c3cccc(Cl)c3)no2)c1C ZINC000411802124 823606255 /nfs/dbraw/zinc/60/62/55/823606255.db2.gz WXKPZHWBIOJCSZ-UHFFFAOYSA-N 1 0 386.883 4.085 20 0 GIADRO FC(F)(F)CN1C[C@@H](c2ccccc2)[C@H]([NH2+]Cc2cc(-c3ccco3)on2)C1 ZINC000411810456 823606922 /nfs/dbraw/zinc/60/69/22/823606922.db2.gz QHTBSUMFJFSEIL-DLBZAZTESA-N 1 0 391.393 4.055 20 0 GIADRO CCCCOc1ccc(C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cc1OCC ZINC000461261809 823607629 /nfs/dbraw/zinc/60/76/29/823607629.db2.gz HFMJSVRUQJKTFR-LJQANCHMSA-N 1 0 376.541 4.211 20 0 GIADRO CCS(=O)(=O)CCCCC[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000190786218 823608813 /nfs/dbraw/zinc/60/88/13/823608813.db2.gz MXKHLWLGQHJQGP-UHFFFAOYSA-N 1 0 398.956 4.266 20 0 GIADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cnc2ccccc2c1C(F)(F)F ZINC000461267313 823608974 /nfs/dbraw/zinc/60/89/74/823608974.db2.gz ZOENNTOQGQJSEK-CQSZACIVSA-N 1 0 379.426 4.200 20 0 GIADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 ZINC000461266807 823609031 /nfs/dbraw/zinc/60/90/31/823609031.db2.gz XGPPIVXVZRKGLB-AWEZNQCLSA-N 1 0 395.334 4.126 20 0 GIADRO CCOc1ccc(OCC)c(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000124589195 823609051 /nfs/dbraw/zinc/60/90/51/823609051.db2.gz PGWZAOXBKUGYOQ-GOSISDBHSA-N 1 0 387.480 4.036 20 0 GIADRO COc1ccc(Nc2ccccc2C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000461269048 823609338 /nfs/dbraw/zinc/60/93/38/823609338.db2.gz WKYQJPVSNVNLFP-IBGZPJMESA-N 1 0 381.520 4.385 20 0 GIADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(C)(C)c1cccc(Br)c1 ZINC000461268545 823609387 /nfs/dbraw/zinc/60/93/87/823609387.db2.gz VBKGQBHJQVYXNS-QGZVFWFLSA-N 1 0 381.358 4.060 20 0 GIADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)COC(c1ccccc1)c1ccccc1 ZINC000461271590 823609843 /nfs/dbraw/zinc/60/98/43/823609843.db2.gz MDCODYKPZUDPFC-JOCHJYFZSA-N 1 0 380.532 4.125 20 0 GIADRO C[NH+](C)CCCOc1ccc(NC(=O)N[C@H]2CCOC3(CCCCC3)C2)cc1 ZINC000124599630 823609892 /nfs/dbraw/zinc/60/98/92/823609892.db2.gz APMFUJICINQUJS-IBGZPJMESA-N 1 0 389.540 4.021 20 0 GIADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000461273474 823610401 /nfs/dbraw/zinc/61/04/01/823610401.db2.gz SHKRVUSQRRBPPY-SFHVURJKSA-N 1 0 391.968 4.339 20 0 GIADRO CCN(Cc1c[nH]c2ccccc12)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000190800006 823610521 /nfs/dbraw/zinc/61/05/21/823610521.db2.gz WFNACDUNSUILME-UHFFFAOYSA-N 1 0 391.519 4.011 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000124611778 823610949 /nfs/dbraw/zinc/61/09/49/823610949.db2.gz CWDDAIQRURPFSN-PZJWPPBQSA-N 1 0 398.938 4.078 20 0 GIADRO Cc1ccc([C@H](CNC(=O)Nc2ccc3c(c2)OCCCO3)[NH+]2CCCC2)cc1 ZINC000061747332 823611407 /nfs/dbraw/zinc/61/14/07/823611407.db2.gz GYIDRKZEFRPTRS-FQEVSTJZSA-N 1 0 395.503 4.115 20 0 GIADRO CO[C@H]1c2ccccc2C[C@H]1[NH2+]CCC(=O)Nc1c(Cl)cccc1Cl ZINC000411891045 823613328 /nfs/dbraw/zinc/61/33/28/823613328.db2.gz GAOKQNNMQADNHE-APWZRJJASA-N 1 0 379.287 4.224 20 0 GIADRO CC(C)CCc1nnc(N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)n1Cc1cccs1 ZINC000461298092 823613341 /nfs/dbraw/zinc/61/33/41/823613341.db2.gz WPIIBOVJRDWIBF-MSOLQXFVSA-N 1 0 387.597 4.040 20 0 GIADRO CCOc1ccc(NC(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1F ZINC000061775291 823613428 /nfs/dbraw/zinc/61/34/28/823613428.db2.gz KDTOBLOWGULDFV-UHFFFAOYSA-N 1 0 391.512 4.320 20 0 GIADRO O=C(NCc1cccc(Cl)c1)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000061792706 823614950 /nfs/dbraw/zinc/61/49/50/823614950.db2.gz GDQCBHQCDCKXHS-UHFFFAOYSA-N 1 0 389.952 4.253 20 0 GIADRO O=C(NCC1([NH+]2CCCCC2)CCCCC1)C(=O)Nc1cccc2ccccc21 ZINC000061807045 823615739 /nfs/dbraw/zinc/61/57/39/823615739.db2.gz GSWRRZLCBDWDSA-UHFFFAOYSA-N 1 0 393.531 4.083 20 0 GIADRO COc1cccc(-c2nc(C[NH2+][C@H](C)[C@](C)(OC)C3CC3)cs2)c1OC ZINC000411951689 823616133 /nfs/dbraw/zinc/61/61/33/823616133.db2.gz QJSMFWHBIVGYHZ-XCLFUZPHSA-N 1 0 376.522 4.121 20 0 GIADRO Cc1cc(C(=O)[C@H](C)[N@@H+]2C[C@H](O)C[C@H]2c2ccccc2)c(C)n1Cc1ccco1 ZINC000411954591 823616380 /nfs/dbraw/zinc/61/63/80/823616380.db2.gz UYAVFOYCBNNKTJ-NOXFTYBFSA-N 1 0 392.499 4.125 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@@H](Nc2ccccc2)C(C)C)c1 ZINC000061859073 823616458 /nfs/dbraw/zinc/61/64/58/823616458.db2.gz JJAREKAFTANQBT-JOCHJYFZSA-N 1 0 382.552 4.074 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)N[C@H](C)c2cccc(OC(C)C)c2)c1 ZINC000061864476 823616467 /nfs/dbraw/zinc/61/64/67/823616467.db2.gz GCXYYPCTHNELRM-GOSISDBHSA-N 1 0 383.536 4.486 20 0 GIADRO O=C(CC[N@@H+]1C[C@H](O)C[C@@H]1c1ccccc1)Nc1cc(Cl)ccc1Cl ZINC000411956057 823616563 /nfs/dbraw/zinc/61/65/63/823616563.db2.gz VVPPCEMCTQLHDQ-CRAIPNDOSA-N 1 0 379.287 4.130 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)c2cc3ccccc3n2Cc2ccccc2F)CC[N@@H+]1C ZINC000124681541 823617009 /nfs/dbraw/zinc/61/70/09/823617009.db2.gz JWSXECJOKHABIV-FXAWDEMLSA-N 1 0 393.506 4.383 20 0 GIADRO CO[C@@](C)([C@H](C)[NH2+]Cc1ccnc(-c2ccc(Br)cc2)n1)C1CC1 ZINC000411970601 823617221 /nfs/dbraw/zinc/61/72/21/823617221.db2.gz NJSIFGDFMCIYEA-DJJJIMSYSA-N 1 0 390.325 4.199 20 0 GIADRO CO[C@@](C)([C@H](C)[NH2+]CCC(=O)NC(c1ccccc1)c1ccccc1)C1CC1 ZINC000411972073 823617294 /nfs/dbraw/zinc/61/72/94/823617294.db2.gz PIICSSFHFYGPMJ-UUOWRZLLSA-N 1 0 380.532 4.076 20 0 GIADRO CCOc1ccc(C2(C[NH2+]Cc3ccc(N(C)C(C)C)nc3)CCOCC2)cc1 ZINC000190864020 823617796 /nfs/dbraw/zinc/61/77/96/823617796.db2.gz NAHIHBUTMBXSTA-UHFFFAOYSA-N 1 0 397.563 4.163 20 0 GIADRO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@H+](CCCn1ccnc1C)CC2 ZINC000124692134 823618002 /nfs/dbraw/zinc/61/80/02/823618002.db2.gz BGKNEJHIHILSHZ-DEOSSOPVSA-N 1 0 391.515 4.247 20 0 GIADRO CSc1ccccc1OC[C@H](O)C[N@H+](Cc1nc2ccccc2o1)C(C)C ZINC000411991839 823618587 /nfs/dbraw/zinc/61/85/87/823618587.db2.gz YHCRDKOBMBJKDL-MRXNPFEDSA-N 1 0 386.517 4.200 20 0 GIADRO Cc1nc(C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)c(Br)s1 ZINC000411990836 823618600 /nfs/dbraw/zinc/61/86/00/823618600.db2.gz SAMQWQMWLDOGSO-LLVKDONJSA-N 1 0 396.354 4.073 20 0 GIADRO Cc1ccsc1-c1nnc(N(C)[C@H]2CC[N@@H+](C3CC3)C2)n1Cc1cccs1 ZINC000461330370 823618648 /nfs/dbraw/zinc/61/86/48/823618648.db2.gz HFLFYIZDFCQRGP-INIZCTEOSA-N 1 0 399.589 4.098 20 0 GIADRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)NOCc3ccccc3)cc2)C1 ZINC000061928343 823618824 /nfs/dbraw/zinc/61/88/24/823618824.db2.gz HWASBLVMQVQWSH-OALUTQOASA-N 1 0 381.520 4.096 20 0 GIADRO O=C(CC[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1)NCc1ccccc1Cl ZINC000411995242 823619170 /nfs/dbraw/zinc/61/91/70/823619170.db2.gz CQXFCHZLVHWCGZ-QFIPXVFZSA-N 1 0 398.934 4.200 20 0 GIADRO CC[C@@H](CNC(=O)NCc1cc2ccccc2o1)[N@@H+]1CCc2ccccc2C1 ZINC000061953809 823619564 /nfs/dbraw/zinc/61/95/64/823619564.db2.gz HPHZFHVGPQZNAZ-FQEVSTJZSA-N 1 0 377.488 4.069 20 0 GIADRO OC[C@H]([NH2+]CCCC(c1ccc(F)cc1)c1ccc(F)cc1)[C@H]1CCCOC1 ZINC000412000270 823620168 /nfs/dbraw/zinc/62/01/68/823620168.db2.gz YQPBUMYAZLXMLK-CVDCTZTESA-N 1 0 389.486 4.254 20 0 GIADRO CC(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C(C)C)cc2C(C)C)CC1 ZINC000062009419 823621971 /nfs/dbraw/zinc/62/19/71/823621971.db2.gz NODDYCOHSWCQGM-UHFFFAOYSA-N 1 0 387.568 4.109 20 0 GIADRO CC(C)O[C@H](C[NH2+][C@H](c1ccccc1)C1(CO)CCOCC1)c1ccccc1 ZINC000412013865 823622640 /nfs/dbraw/zinc/62/26/40/823622640.db2.gz WBDNEQQTPPLVRI-DHIUTWEWSA-N 1 0 383.532 4.273 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1cc(Cl)cc(Br)c1 ZINC000062076012 823622924 /nfs/dbraw/zinc/62/29/24/823622924.db2.gz RBZXGQMMQWQSHU-OAHLLOKOSA-N 1 0 397.700 4.262 20 0 GIADRO Clc1ccc(C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)c(-n2cncn2)c1 ZINC000412015400 823622899 /nfs/dbraw/zinc/62/28/99/823622899.db2.gz SPQNXGNGLZVIAU-OAQYLSRUSA-N 1 0 394.906 4.274 20 0 GIADRO COC1([C@H](C)[NH2+]C[C@@H](O)CO[C@H](c2ccccc2)c2ccccc2C)CCC1 ZINC000412022726 823623205 /nfs/dbraw/zinc/62/32/05/823623205.db2.gz VEHFAGDDYBBGJI-XKCSPQBFSA-N 1 0 383.532 4.009 20 0 GIADRO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F)C1CC(C)(C)C1 ZINC000412038458 823623838 /nfs/dbraw/zinc/62/38/38/823623838.db2.gz OUMQRYCMMWKIFM-UHFFFAOYSA-N 1 0 385.430 4.113 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)cc1 ZINC000062223700 823624689 /nfs/dbraw/zinc/62/46/89/823624689.db2.gz RKSZPZDUUQKHHT-UHFFFAOYSA-N 1 0 379.548 4.449 20 0 GIADRO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2nc(-c3ccccc3Cl)cs2)CC1 ZINC000412058211 823624824 /nfs/dbraw/zinc/62/48/24/823624824.db2.gz UQSOFFOJYCWZMW-OAHLLOKOSA-N 1 0 389.952 4.440 20 0 GIADRO N#CCSc1ccccc1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000062228649 823625143 /nfs/dbraw/zinc/62/51/43/823625143.db2.gz ASKQQRKBDGFCKO-IBGZPJMESA-N 1 0 379.529 4.087 20 0 GIADRO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1(c2ccc(F)cc2)CCC1 ZINC000062230702 823625309 /nfs/dbraw/zinc/62/53/09/823625309.db2.gz IMHDZTKEJHIDPA-FQEVSTJZSA-N 1 0 380.507 4.276 20 0 GIADRO Cc1ccc(C(=O)CCC(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1C ZINC000062231146 823625320 /nfs/dbraw/zinc/62/53/20/823625320.db2.gz MYSMMGVJANWWKX-QFIPXVFZSA-N 1 0 392.543 4.295 20 0 GIADRO CC(C)(C)OC(=O)CC[C@@H]1CCC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000412064235 823625310 /nfs/dbraw/zinc/62/53/10/823625310.db2.gz JTMUTQWSIQYPEC-SFHVURJKSA-N 1 0 394.600 4.105 20 0 GIADRO Cc1cc(C(=O)NCC[NH+](C(C)C)C(C)C)ccc1NC(=O)c1cccs1 ZINC000124776384 823625444 /nfs/dbraw/zinc/62/54/44/823625444.db2.gz YFVMBMXMUMLLSI-UHFFFAOYSA-N 1 0 387.549 4.157 20 0 GIADRO CC(C)n1ncc2cc(C[N@@H+]3CCC[C@@H](CCC(=O)OC(C)(C)C)C3)cnc21 ZINC000412070573 823625534 /nfs/dbraw/zinc/62/55/34/823625534.db2.gz OVSNABGJYBRUTD-KRWDZBQOSA-N 1 0 386.540 4.346 20 0 GIADRO C[C@@H]([NH2+]Cc1cc(Br)c(Cl)s1)C(=O)N1CCCC[C@@H]1C ZINC000190926662 823625611 /nfs/dbraw/zinc/62/56/11/823625611.db2.gz IBCAXBABXRBTPP-VHSXEESVSA-N 1 0 379.751 4.043 20 0 GIADRO C[C@H](CNC(=O)Nc1ccc(COCc2ccccc2)cc1)C[NH+]1CCCC1 ZINC000124780870 823625768 /nfs/dbraw/zinc/62/57/68/823625768.db2.gz YLEDSMPSFPSLIB-LJQANCHMSA-N 1 0 381.520 4.257 20 0 GIADRO COc1ccc([C@H]([NH2+]Cc2ccc(-n3cncn3)cc2)c2ccc(F)cc2)cc1 ZINC000062258676 823626965 /nfs/dbraw/zinc/62/69/65/823626965.db2.gz OJMAVNXFFCOPPW-HSZRJFAPSA-N 1 0 388.446 4.294 20 0 GIADRO O=C(Nc1cccc(N2CCCCCC2)c1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412121295 823628019 /nfs/dbraw/zinc/62/80/19/823628019.db2.gz FDPMAZSLZIJXSZ-NRFANRHFSA-N 1 0 387.593 4.223 20 0 GIADRO CC[NH+](CC)CC1CCN(Cc2nnc(-c3cc4c(s3)CCCC4)o2)CC1 ZINC000461392924 823628635 /nfs/dbraw/zinc/62/86/35/823628635.db2.gz XJIFEIYHZIRDJS-UHFFFAOYSA-N 1 0 388.581 4.231 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(C)cc2Br)cc1 ZINC000124819753 823628682 /nfs/dbraw/zinc/62/86/82/823628682.db2.gz JWNJYYOEZIQWTF-CQSZACIVSA-N 1 0 391.309 4.446 20 0 GIADRO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000461394115 823628997 /nfs/dbraw/zinc/62/89/97/823628997.db2.gz GHGCUHGHDPLDTL-HNNXBMFYSA-N 1 0 378.385 4.247 20 0 GIADRO COc1ccccc1[C@@H]1C[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000412136078 823629241 /nfs/dbraw/zinc/62/92/41/823629241.db2.gz VVTXRBQTHXDXNI-VOFXCDAESA-N 1 0 392.543 4.310 20 0 GIADRO COc1ccc(NC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)cc1Cl ZINC000062374134 823630566 /nfs/dbraw/zinc/63/05/66/823630566.db2.gz UEGKEBPOBQNTII-UHFFFAOYSA-N 1 0 379.863 4.083 20 0 GIADRO Cc1nc2n(n1)C[C@@H]([NH2+]Cc1ccccc1Oc1ccc(F)cc1Cl)CC2 ZINC000461408582 823630832 /nfs/dbraw/zinc/63/08/32/823630832.db2.gz ABEHZQMZFJQRFJ-INIZCTEOSA-N 1 0 386.858 4.276 20 0 GIADRO OCC[C@@H]([NH2+]Cc1ccc(Oc2cc(F)cc(F)c2)cc1)C1CCOCC1 ZINC000461409236 823630884 /nfs/dbraw/zinc/63/08/84/823630884.db2.gz WBQCXUFFAGPILG-OAQYLSRUSA-N 1 0 377.431 4.024 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)Nc1cc(Cl)ccc1F ZINC000062377397 823630982 /nfs/dbraw/zinc/63/09/82/823630982.db2.gz WILBCYSROWSYFD-UHFFFAOYSA-N 1 0 385.817 4.353 20 0 GIADRO O=C([C@@H]1C[C@H]1c1cccc(O)c1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000412158846 823631468 /nfs/dbraw/zinc/63/14/68/823631468.db2.gz NDPWPWSAXZLUEN-ARNLJNQMSA-N 1 0 390.527 4.010 20 0 GIADRO CC1CCC(N(C[C@H]2CCCO2)C(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000461415679 823631757 /nfs/dbraw/zinc/63/17/57/823631757.db2.gz GBXFASZTTANPDW-ZUEZHPSSSA-N 1 0 384.564 4.482 20 0 GIADRO C[NH+](C)C[C@H]1CCN(C(=O)Nc2ccc(-c3ccc(Cl)cc3Cl)nc2)C1 ZINC000190965881 823631770 /nfs/dbraw/zinc/63/17/70/823631770.db2.gz BKUWUZWLDBLOSX-CYBMUJFWSA-N 1 0 393.318 4.471 20 0 GIADRO CC(C)(CNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)Cc1cccc(Cl)c1 ZINC000412164345 823631897 /nfs/dbraw/zinc/63/18/97/823631897.db2.gz DOYYDDCXPFSVFN-LJQANCHMSA-N 1 0 395.012 4.242 20 0 GIADRO O=C(CCCOc1ccc(Cl)cc1Cl)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000461417053 823632066 /nfs/dbraw/zinc/63/20/66/823632066.db2.gz GNSLGTOHLSMPSV-MRXNPFEDSA-N 1 0 399.362 4.487 20 0 GIADRO CCCOc1cccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)c1 ZINC000062387267 823632098 /nfs/dbraw/zinc/63/20/98/823632098.db2.gz PXXYWOYANYZCAI-UHFFFAOYSA-N 1 0 391.462 4.349 20 0 GIADRO Cc1csc(C(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1Br ZINC000190970488 823632353 /nfs/dbraw/zinc/63/23/53/823632353.db2.gz NBKSJKHWWAUJSW-HIFRSBDPSA-N 1 0 393.350 4.212 20 0 GIADRO CC[N@@H+]1CC[C@H](CNC(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)C1 ZINC000124869063 823632556 /nfs/dbraw/zinc/63/25/56/823632556.db2.gz KBHVALANBNUMTR-CYBMUJFWSA-N 1 0 394.302 4.252 20 0 GIADRO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CC=C(c2ccc(Cl)cc2)CC1 ZINC000412177314 823633052 /nfs/dbraw/zinc/63/30/52/823633052.db2.gz LPWVWZLXQDDFCA-HXUWFJFHSA-N 1 0 390.980 4.173 20 0 GIADRO Cc1cc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c(C(F)(F)F)o1 ZINC000461422570 823633280 /nfs/dbraw/zinc/63/32/80/823633280.db2.gz DDYCFXPCQOCXPT-IAGOWNOFSA-N 1 0 392.421 4.201 20 0 GIADRO C[NH+](C)CCCOc1ccc(CNC(=O)c2occc2-c2ccc(F)cc2)cc1 ZINC000124883664 823633546 /nfs/dbraw/zinc/63/35/46/823633546.db2.gz AXWKTMLIKOGTAI-UHFFFAOYSA-N 1 0 396.462 4.346 20 0 GIADRO CC(C)(C)[C@@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)c1ccc(F)cc1F ZINC000412184806 823633778 /nfs/dbraw/zinc/63/37/78/823633778.db2.gz OUHBJEIBNXMDFD-APWZRJJASA-N 1 0 396.547 4.386 20 0 GIADRO CN(c1ccccc1)c1ccccc1C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000461424603 823633785 /nfs/dbraw/zinc/63/37/85/823633785.db2.gz HOCJWKLVYIMZJN-FQEVSTJZSA-N 1 0 377.532 4.403 20 0 GIADRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)Nc1cccc(COCC2CC2)c1 ZINC000062411770 823633914 /nfs/dbraw/zinc/63/39/14/823633914.db2.gz YGJWOVDPQLZOPT-UHFFFAOYSA-N 1 0 399.510 4.348 20 0 GIADRO Cc1c2cccc(Cl)c2[nH]c1C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000412197900 823634748 /nfs/dbraw/zinc/63/47/48/823634748.db2.gz DZPFVTOUJYZAAS-OAHLLOKOSA-N 1 0 396.922 4.480 20 0 GIADRO CCc1cc(Br)ccc1NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412196106 823634818 /nfs/dbraw/zinc/63/48/18/823634818.db2.gz QQNLXLRZUOJRII-INIZCTEOSA-N 1 0 397.382 4.168 20 0 GIADRO Cc1c2cccc(Cl)c2[nH]c1C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000412197894 823634827 /nfs/dbraw/zinc/63/48/27/823634827.db2.gz DZPFVTOUJYZAAS-HNNXBMFYSA-N 1 0 396.922 4.480 20 0 GIADRO CCC(CC)n1ncc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1C ZINC000461428252 823634947 /nfs/dbraw/zinc/63/49/47/823634947.db2.gz MRIYQDOAEKHKTC-LEWJYISDSA-N 1 0 394.563 4.147 20 0 GIADRO C[C@@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1)N1CCC(C)CC1 ZINC000062423506 823635004 /nfs/dbraw/zinc/63/50/04/823635004.db2.gz OVIWGPAMGVLCKP-FQEVSTJZSA-N 1 0 389.547 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C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000461431175 823635748 /nfs/dbraw/zinc/63/57/48/823635748.db2.gz ZFPQKLSULXCRTD-RTWAWAEBSA-N 1 0 392.543 4.455 20 0 GIADRO Cc1ccc2cccc(C(=O)N3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@H]4C3)c2n1 ZINC000461432398 823635857 /nfs/dbraw/zinc/63/58/57/823635857.db2.gz TWDXADZKDJBBSH-VXKWHMMOSA-N 1 0 385.511 4.137 20 0 GIADRO O=C(CCSc1ccccc1F)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461432731 823636039 /nfs/dbraw/zinc/63/60/39/823636039.db2.gz VGXGHIAYWQELCK-UXHICEINSA-N 1 0 398.547 4.288 20 0 GIADRO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CCCC[C@H]1CCc1ccccc1 ZINC000412215130 823636424 /nfs/dbraw/zinc/63/64/24/823636424.db2.gz HAFHQMJKSOAFGN-FCHUYYIVSA-N 1 0 386.605 4.218 20 0 GIADRO O=C(c1ccn(Cc2ccccc2)c1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461434018 823636488 /nfs/dbraw/zinc/63/64/88/823636488.db2.gz XTLZRXGVAGVWSB-UKILVPOCSA-N 1 0 399.538 4.131 20 0 GIADRO CC1(C)CC[C@H](CNC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)c2ccccc21 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/nfs/dbraw/zinc/64/49/08/823644908.db2.gz SRFLJGIRKDGDIS-WOJBJXKFSA-N 1 0 398.551 4.001 20 0 GIADRO CCc1cccc(NC(=S)NCC2CC[NH+](Cc3ccc(OC)cc3)CC2)c1 ZINC000062700130 823644918 /nfs/dbraw/zinc/64/49/18/823644918.db2.gz ZUUHFJJZQPBFFP-UHFFFAOYSA-N 1 0 397.588 4.456 20 0 GIADRO CC[C@@H](C(=O)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F)[NH+](CC)CC ZINC000461478528 823645031 /nfs/dbraw/zinc/64/50/31/823645031.db2.gz HSLWTZBUYDOVLR-UONOGXRCSA-N 1 0 382.373 4.128 20 0 GIADRO CCCN(CCC[NH+](C)C)C(=O)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000191076366 823645641 /nfs/dbraw/zinc/64/56/41/823645641.db2.gz LDVGLTNXUBULBU-UHFFFAOYSA-N 1 0 388.537 4.196 20 0 GIADRO O=C(c1cnc(-c2ccc(F)c(F)c2)s1)N1CCC[N@H+](CC2CCC2)CC1 ZINC000412318187 823645973 /nfs/dbraw/zinc/64/59/73/823645973.db2.gz YOHXLLCKHCYOJR-UHFFFAOYSA-N 1 0 391.487 4.036 20 0 GIADRO c1csc(Cn2c(C3CCC3)nnc2N2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000461483393 823646048 /nfs/dbraw/zinc/64/60/48/823646048.db2.gz UOCPZQJJCJWYQL-SFHVURJKSA-N 1 0 385.581 4.110 20 0 GIADRO CC(C)CN(C(=O)c1cc2c(cccc2Br)[nH]1)C1CC[NH+](C)CC1 ZINC000125030741 823646709 /nfs/dbraw/zinc/64/67/09/823646709.db2.gz MSBUIOYJISVEJE-UHFFFAOYSA-N 1 0 392.341 4.123 20 0 GIADRO C[C@@]1(c2ccccc2)CCCN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC1 ZINC000412329024 823646901 /nfs/dbraw/zinc/64/69/01/823646901.db2.gz DIABEUPGJCTSAW-JTHBVZDNSA-N 1 0 386.605 4.174 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](C)c2ccc(C(F)(F)F)cc2)[C@H](C)C1 ZINC000191088449 823647293 /nfs/dbraw/zinc/64/72/93/823647293.db2.gz LRQYRLBFZOWFAF-RKVPGOIHSA-N 1 0 385.474 4.181 20 0 GIADRO COc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000412333607 823647567 /nfs/dbraw/zinc/64/75/67/823647567.db2.gz YNBIZYHCYYVUFG-XJUOHMSHSA-N 1 0 392.543 4.216 20 0 GIADRO C[C@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)c1ccc(F)c2ccccc21 ZINC000412336148 823647875 /nfs/dbraw/zinc/64/78/75/823647875.db2.gz JEUOPVYPXMHVQR-RDJZCZTQSA-N 1 0 386.536 4.374 20 0 GIADRO CC[C@H](C)[N@H+](C)CCNC(=O)c1c(C)onc1-c1ccc(C(F)(F)F)cc1 ZINC000191094170 823648160 /nfs/dbraw/zinc/64/81/60/823648160.db2.gz AXZUNGQCUAKXME-LBPRGKRZSA-N 1 0 383.414 4.129 20 0 GIADRO COc1ccccc1[C@@H]1C[C@H]1C(=O)NC[C@H](c1ccc(OC(C)C)cc1)[NH+](C)C ZINC000412342426 823648581 /nfs/dbraw/zinc/64/85/81/823648581.db2.gz ULFLEHSESMEHGW-BHDDXSALSA-N 1 0 396.531 4.005 20 0 GIADRO C[C@@H](CNC(=O)N1CCC(CC[NH+](C)C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000191098694 823648846 /nfs/dbraw/zinc/64/88/46/823648846.db2.gz FWOCOFJSXCRPEY-HNNXBMFYSA-N 1 0 385.474 4.182 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)NC[C@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000191099001 823649083 /nfs/dbraw/zinc/64/90/83/823649083.db2.gz FWJKXFAZGANQDY-HNNXBMFYSA-N 1 0 385.474 4.325 20 0 GIADRO Clc1cccc2c1CCN(CC[NH2+]Cc1csc(-c3ccccn3)n1)C2 ZINC000191104013 823649795 /nfs/dbraw/zinc/64/97/95/823649795.db2.gz KLHLLKWDJYUOKN-UHFFFAOYSA-N 1 0 384.936 4.006 20 0 GIADRO O=C(N[C@@H]1CCCc2sc(Cl)cc21)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412365831 823650166 /nfs/dbraw/zinc/65/01/66/823650166.db2.gz ROBWSODZYCRTEG-UKRRQHHQSA-N 1 0 384.998 4.113 20 0 GIADRO CC(C)c1cccc(OCC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000063080278 823650377 /nfs/dbraw/zinc/65/03/77/823650377.db2.gz NJBZBDIXADKIIC-UHFFFAOYSA-N 1 0 380.532 4.217 20 0 GIADRO Cn1c2ccccc2c(Cl)c1C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000063080229 823650391 /nfs/dbraw/zinc/65/03/91/823650391.db2.gz BPCLBYJRVFEICI-UHFFFAOYSA-N 1 0 395.934 4.474 20 0 GIADRO COc1cccc(O[C@@H](C)C[NH2+][C@@H](C)c2ccc(OCc3nccn3C)cc2)c1 ZINC000125080475 823650339 /nfs/dbraw/zinc/65/03/39/823650339.db2.gz MAACRQFGFUILIQ-ROUUACIJSA-N 1 0 395.503 4.126 20 0 GIADRO Cc1cc(C(=O)CCC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)c(C)s1 ZINC000063081137 823650537 /nfs/dbraw/zinc/65/05/37/823650537.db2.gz MHZVQAKXTSEPQU-UHFFFAOYSA-N 1 0 398.572 4.356 20 0 GIADRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)c1[nH]c2ccccc2c1Cl ZINC000063081531 823650643 /nfs/dbraw/zinc/65/06/43/823650643.db2.gz FBUSZZFNORPKQU-UHFFFAOYSA-N 1 0 381.907 4.463 20 0 GIADRO Cc1cc(-c2cc(C(=O)NC[C@H](C)[NH+](C)C)c3cnn(C(C)C)c3n2)c(C)s1 ZINC000412382253 823651260 /nfs/dbraw/zinc/65/12/60/823651260.db2.gz CJBNMXFSBOAFPN-ZDUSSCGKSA-N 1 0 399.564 4.037 20 0 GIADRO S=C(NCc1ccc(Cl)s1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000063148128 823652889 /nfs/dbraw/zinc/65/28/89/823652889.db2.gz PYKYXJQTZAJSID-UHFFFAOYSA-N 1 0 379.982 4.030 20 0 GIADRO Cc1cc2cc(NC(=S)NC3CC[NH+](Cc4ccccc4)CC3)ccc2[nH]1 ZINC000063149254 823652972 /nfs/dbraw/zinc/65/29/72/823652972.db2.gz KMZBVRUYDNYDFP-UHFFFAOYSA-N 1 0 378.545 4.427 20 0 GIADRO Fc1cccc(CN(C(=S)NC2CC[NH+](Cc3ccccc3)CC2)C2CC2)c1 ZINC000063149868 823653151 /nfs/dbraw/zinc/65/31/51/823653151.db2.gz FSYHAGCSFJXVSN-UHFFFAOYSA-N 1 0 397.563 4.329 20 0 GIADRO CC[C@H]1CN(c2ccccc2)CCN1C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000461522066 823653400 /nfs/dbraw/zinc/65/34/00/823653400.db2.gz JNICPUIYNCLHIZ-QFIPXVFZSA-N 1 0 377.532 4.023 20 0 GIADRO CCNC(=S)N(Cc1ccc(Cl)c(Cl)c1)C[C@H](C(C)C)[NH+](C)C ZINC000063179208 823654292 /nfs/dbraw/zinc/65/42/92/823654292.db2.gz QHFZKVRLRIBYOI-MRXNPFEDSA-N 1 0 376.397 4.276 20 0 GIADRO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000412430613 823654912 /nfs/dbraw/zinc/65/49/12/823654912.db2.gz VOEUHBZCYLTLHM-RTWAWAEBSA-N 1 0 384.589 4.348 20 0 GIADRO CC[NH+](CC)CCSCC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000461546656 823656564 /nfs/dbraw/zinc/65/65/64/823656564.db2.gz RCVOQOLCCRKASY-UHFFFAOYSA-N 1 0 385.505 4.102 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)c1ccco1)c1ccc(Br)cc1Br ZINC000125173534 823656743 /nfs/dbraw/zinc/65/67/43/823656743.db2.gz OSIYSCQBTNLLCF-TVQRCGJNSA-N 1 0 389.087 4.189 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(NC(N)=O)cc1)c1ccc(F)c(Br)c1 ZINC000125174585 823656985 /nfs/dbraw/zinc/65/69/85/823656985.db2.gz UDKYIGJFIVAWSZ-WDEREUQCSA-N 1 0 380.261 4.491 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccc(Oc2cccnc2)cc1 ZINC000063257102 823657331 /nfs/dbraw/zinc/65/73/31/823657331.db2.gz VNYULVYJUVWQBY-HXUWFJFHSA-N 1 0 377.444 4.034 20 0 GIADRO CC[C@H]([NH2+][C@H](C)c1cnn(C(C)C)c1C)c1ccccc1OCC(=O)N(C)C ZINC000191190214 823657922 /nfs/dbraw/zinc/65/79/22/823657922.db2.gz DPHMXFVUGCCHOR-UZLBHIALSA-N 1 0 386.540 4.041 20 0 GIADRO C[C@H]([NH2+]C1CCN([C@@H](C)c2ccccc2)CC1)c1ccc(-n2cncn2)cc1 ZINC000125195669 823658385 /nfs/dbraw/zinc/65/83/85/823658385.db2.gz NPRKQSRCJLRDTB-OALUTQOASA-N 1 0 375.520 4.144 20 0 GIADRO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1ccccc1OCc1cscn1 ZINC000063272951 823658668 /nfs/dbraw/zinc/65/86/68/823658668.db2.gz GWJJANMGORDDHV-UHFFFAOYSA-N 1 0 399.560 4.107 20 0 GIADRO CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@H](C)c2csc(Cl)c2)cc1 ZINC000191210572 823659406 /nfs/dbraw/zinc/65/94/06/823659406.db2.gz HSCHCQZGZKQPMF-CYBMUJFWSA-N 1 0 386.970 4.080 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNc3ncccc3C(F)(F)F)CC2)cc1 ZINC000063282492 823659459 /nfs/dbraw/zinc/65/94/59/823659459.db2.gz PSYOHTNBOGNNIS-UHFFFAOYSA-N 1 0 379.426 4.433 20 0 GIADRO Cc1c([C@H](C)[NH2+]C[C@H](O)COc2cccc(Cl)c2Cl)cnn1C(C)C ZINC000191211595 823659571 /nfs/dbraw/zinc/65/95/71/823659571.db2.gz QCNAYKYYDYQSKJ-JSGCOSHPSA-N 1 0 386.323 4.170 20 0 GIADRO CS(=O)(=O)c1ccc(OCCC[NH2+]C(c2ccccc2)c2ccccc2)cc1 ZINC000063285501 823659828 /nfs/dbraw/zinc/65/98/28/823659828.db2.gz ZDZUYQGSWFPMJK-UHFFFAOYSA-N 1 0 395.524 4.238 20 0 GIADRO Cc1ccc(-n2cccn2)cc1NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000191228996 823661320 /nfs/dbraw/zinc/66/13/20/823661320.db2.gz IEMLRXIOBWKCFM-FQEVSTJZSA-N 1 0 395.551 4.301 20 0 GIADRO CCC[NH+]1CCC(NCc2ccc(OCc3cn4cccc(C)c4n3)cc2)CC1 ZINC000063312969 823661741 /nfs/dbraw/zinc/66/17/41/823661741.db2.gz SANXKNARUVHRMX-UHFFFAOYSA-N 1 0 392.547 4.186 20 0 GIADRO C[C@@H](CC(=O)Nc1ccc(C[NH+](C)C)cc1F)C(=O)c1ccc(Cl)cc1 ZINC000412556312 823661990 /nfs/dbraw/zinc/66/19/90/823661990.db2.gz DZOLAONZJREIHL-ZDUSSCGKSA-N 1 0 376.859 4.388 20 0 GIADRO CCc1c(C(=O)Nc2ccc(C[NH+](C)C)cc2F)cnn1-c1ccccc1C ZINC000412556901 823662023 /nfs/dbraw/zinc/66/20/23/823662023.db2.gz GVJPVMNJOGVPQS-UHFFFAOYSA-N 1 0 380.467 4.196 20 0 GIADRO Cc1cccc(C(C)(C)C[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)c1 ZINC000063320079 823662079 /nfs/dbraw/zinc/66/20/79/823662079.db2.gz ZQDWFNPBPXTSPQ-UHFFFAOYSA-N 1 0 377.488 4.224 20 0 GIADRO Cc1c(Br)cccc1CC(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000412561364 823662348 /nfs/dbraw/zinc/66/23/48/823662348.db2.gz SONRKTAXOUXZKF-UHFFFAOYSA-N 1 0 379.273 4.139 20 0 GIADRO C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000412562344 823662513 /nfs/dbraw/zinc/66/25/13/823662513.db2.gz WOVGCWFLDYWXGH-GFCCVEGCSA-N 1 0 384.373 4.312 20 0 GIADRO Nc1ccc(F)c(NC(=O)CC[N@H+](CCC(F)(F)F)Cc2ccccc2)c1 ZINC000191243689 823662746 /nfs/dbraw/zinc/66/27/46/823662746.db2.gz SBTKGFIQCJKZOW-UHFFFAOYSA-N 1 0 383.389 4.191 20 0 GIADRO Cc1ccc(-c2cnc(CCC(=O)Nc3ccc(C[NH+](C)C)cc3F)o2)cc1 ZINC000412563505 823662801 /nfs/dbraw/zinc/66/28/01/823662801.db2.gz ZZIZDLNCCVCLRV-UHFFFAOYSA-N 1 0 381.451 4.422 20 0 GIADRO Cc1c([C@H](C)[NH2+]Cc2ccc(NC(=O)c3cccnc3)cc2)cnn1C(C)(C)C ZINC000191247265 823663229 /nfs/dbraw/zinc/66/32/29/823663229.db2.gz UWSUOTIVZRCUFO-INIZCTEOSA-N 1 0 391.519 4.445 20 0 GIADRO COc1cccc([C@@H]2CCCN2C(=O)NC2CC[NH+](CC3CCCC3)CC2)c1 ZINC000063331994 823663310 /nfs/dbraw/zinc/66/33/10/823663310.db2.gz DBMWCMYWGCUJBV-QFIPXVFZSA-N 1 0 385.552 4.196 20 0 GIADRO COCc1ccc(C(=O)N2CC[N@H+](Cc3ccccc3)C3(CCCCC3)C2)cc1 ZINC000461578348 823663607 /nfs/dbraw/zinc/66/36/07/823663607.db2.gz LECNVBUOEOWPQB-UHFFFAOYSA-N 1 0 392.543 4.494 20 0 GIADRO Cc1c([C@H](C)[NH2+]C2CCN(C(=O)c3ccc(C)cc3)CC2)cnn1C(C)(C)C ZINC000191257459 823664172 /nfs/dbraw/zinc/66/41/72/823664172.db2.gz HGYYDEWUCMMOOI-KRWDZBQOSA-N 1 0 382.552 4.210 20 0 GIADRO CC(=O)CCc1ccc(O[C@@H](C)C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000063337447 823664267 /nfs/dbraw/zinc/66/42/67/823664267.db2.gz SSVLZLFNAHLJLR-IBGZPJMESA-N 1 0 394.515 4.210 20 0 GIADRO CCN(C(=O)NCc1ccccc1OCC[NH+](C)C)[C@@H](C)c1ccc(F)cc1 ZINC000125288528 823665213 /nfs/dbraw/zinc/66/52/13/823665213.db2.gz HHTZQRYXDWSSLR-KRWDZBQOSA-N 1 0 387.499 4.059 20 0 GIADRO C[N@H+](Cc1nccn1-c1ccccc1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000191272189 823665957 /nfs/dbraw/zinc/66/59/57/823665957.db2.gz YKCCNNRCOZLNIF-YOFSQIOKSA-N 1 0 396.535 4.235 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)Nc3cccc(SC)c3)CC2)cc1 ZINC000063388544 823666289 /nfs/dbraw/zinc/66/62/89/823666289.db2.gz PZRGREMUVPJEON-UHFFFAOYSA-N 1 0 399.560 4.451 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)Nc3cc(C)ccc3OC)CC2)cc1 ZINC000063388899 823666302 /nfs/dbraw/zinc/66/63/02/823666302.db2.gz MNCLGTSKNXUZOM-UHFFFAOYSA-N 1 0 397.519 4.046 20 0 GIADRO CC[C@@H](C)[N@H+](CCCOc1ccc(S(C)(=O)=O)cc1)Cc1ccccc1 ZINC000063388373 823666361 /nfs/dbraw/zinc/66/63/61/823666361.db2.gz RDIRFYYPGXUYPL-GOSISDBHSA-N 1 0 375.534 4.160 20 0 GIADRO Cc1c([C@@H](C)[NH2+]Cc2cccc(COC3CCOCC3)c2)cnn1C(C)(C)C ZINC000191281404 823666933 /nfs/dbraw/zinc/66/69/33/823666933.db2.gz PCBWLPJGSRRGFZ-QGZVFWFLSA-N 1 0 385.552 4.493 20 0 GIADRO CC(C)(C)c1ccc([C@@H](O)C[NH2+]C2CCC3(CC2)C(=O)Nc2ccccc23)cc1 ZINC000125324031 823667923 /nfs/dbraw/zinc/66/79/23/823667923.db2.gz DFWVYYUALSBWFD-WQNVSQMQSA-N 1 0 392.543 4.440 20 0 GIADRO OCC1CC[NH+](Cc2ccccc2NCc2c(O)ccc(Cl)c2F)CC1 ZINC000191303783 823669236 /nfs/dbraw/zinc/66/92/36/823669236.db2.gz KWZBSPHKSFJXGC-UHFFFAOYSA-N 1 0 378.875 4.001 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2ccc3nc(N(C)C)oc3c2)C1 ZINC000125354330 823670167 /nfs/dbraw/zinc/67/01/67/823670167.db2.gz DNCQFYZFRYJHHK-SJORKVTESA-N 1 0 399.539 4.012 20 0 GIADRO CC(C)N(C)c1ccc(C[NH+]2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)cn1 ZINC000191311755 823670231 /nfs/dbraw/zinc/67/02/31/823670231.db2.gz FICMQVLVXSUTAZ-QGZVFWFLSA-N 1 0 390.572 4.051 20 0 GIADRO COc1ccc([C@H](O)C[NH2+][C@@H](C)c2cnn(-c3cccc(Cl)c3)c2C)cc1 ZINC000125359815 823670526 /nfs/dbraw/zinc/67/05/26/823670526.db2.gz WUJZFOWEAAPIHW-LHSJRXKWSA-N 1 0 385.895 4.227 20 0 GIADRO CC[NH+](CC)[C@H](C(=O)NC[C@H](C)c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000125366441 823671055 /nfs/dbraw/zinc/67/10/55/823671055.db2.gz DCBXHOSQFXMUBW-PXNSSMCTSA-N 1 0 392.503 4.039 20 0 GIADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cnn(-c2ccccc2C)c1C(F)(F)F ZINC000461614567 823671218 /nfs/dbraw/zinc/67/12/18/823671218.db2.gz BAVMCTDXLLUBET-OAHLLOKOSA-N 1 0 396.457 4.050 20 0 GIADRO COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@@H](C)c1cnn(C(C)C)c1C ZINC000191326755 823672204 /nfs/dbraw/zinc/67/22/04/823672204.db2.gz IRVSEJRCUZWCDX-AWEZNQCLSA-N 1 0 392.931 4.422 20 0 GIADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1ccc(C)c(NC(=O)c2ccccc2F)c1 ZINC000461626398 823672403 /nfs/dbraw/zinc/67/24/03/823672403.db2.gz ZINAFNWACWAWQL-QGZVFWFLSA-N 1 0 399.510 4.237 20 0 GIADRO Cc1cccc(C)c1NC(=O)COc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000063457462 823672612 /nfs/dbraw/zinc/67/26/12/823672612.db2.gz CMTWQRULXSHQNR-UHFFFAOYSA-N 1 0 382.504 4.186 20 0 GIADRO CC(C)(CNC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000063464122 823673185 /nfs/dbraw/zinc/67/31/85/823673185.db2.gz NLFUYZUJBUMRQM-OAQYLSRUSA-N 1 0 379.548 4.176 20 0 GIADRO O=C(Nc1ccccc1OC1CCCC1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000125399688 823673334 /nfs/dbraw/zinc/67/33/34/823673334.db2.gz KWMJYMFEASKEOL-UHFFFAOYSA-N 1 0 394.519 4.189 20 0 GIADRO COc1ccc([C@@H](C)NC(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1F ZINC000063464617 823673377 /nfs/dbraw/zinc/67/33/77/823673377.db2.gz VFCYBWPASCIZCE-MJGOQNOKSA-N 1 0 399.510 4.107 20 0 GIADRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000461643311 823674277 /nfs/dbraw/zinc/67/42/77/823674277.db2.gz PJWVFASPUNLSQN-KRWDZBQOSA-N 1 0 382.508 4.181 20 0 GIADRO CC1(C)CC(NC(=O)Nc2cccc(COCc3ccco3)c2)CC(C)(C)[NH2+]1 ZINC000125412284 823674353 /nfs/dbraw/zinc/67/43/53/823674353.db2.gz QOYNVPLOPHOWBK-UHFFFAOYSA-N 1 0 385.508 4.427 20 0 GIADRO Cc1c([C@H](C)[NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)cnn1C(C)(C)C ZINC000191349755 823675057 /nfs/dbraw/zinc/67/50/57/823675057.db2.gz WOEUZPZLLDYZKC-KRWDZBQOSA-N 1 0 382.552 4.423 20 0 GIADRO CC[C@@H](C(=O)Nc1ccccc1CN(C)C(=O)c1cccs1)[NH+](CC)CC ZINC000461651035 823675157 /nfs/dbraw/zinc/67/51/57/823675157.db2.gz LBCKMBMLXBFUPM-SFHVURJKSA-N 1 0 387.549 4.079 20 0 GIADRO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2ccc(-c3ccc(C(F)(F)F)cc3)o2)N1 ZINC000063494950 823675941 /nfs/dbraw/zinc/67/59/41/823675941.db2.gz APVSDUMAJKNAFJ-QGZVFWFLSA-N 1 0 397.360 4.411 20 0 GIADRO CCC1(CC)[C@H]([NH2+]Cc2csc(CC(=O)Nc3ccccc3)n2)C[C@H]1OC ZINC000191362375 823676557 /nfs/dbraw/zinc/67/65/57/823676557.db2.gz JQECYLIYHHYGIA-QZTJIDSGSA-N 1 0 387.549 4.008 20 0 GIADRO C[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)CC1 ZINC000125444431 823676675 /nfs/dbraw/zinc/67/66/75/823676675.db2.gz WDUGTKVUFKFCNK-INIZCTEOSA-N 1 0 387.524 4.123 20 0 GIADRO NC(=NOCc1coc(-c2ccccc2)n1)c1ccccc1C[NH+]1CCCCC1 ZINC000063509720 823677112 /nfs/dbraw/zinc/67/71/12/823677112.db2.gz ZFISWCPJEUYFLU-UHFFFAOYSA-N 1 0 390.487 4.165 20 0 GIADRO CCCS(=O)(=O)N1CCC([NH2+]Cc2ccc(-c3ccc(C)cc3)s2)CC1 ZINC000063520567 823677446 /nfs/dbraw/zinc/67/74/46/823677446.db2.gz SXGDHUHUFBYUKM-UHFFFAOYSA-N 1 0 392.590 4.017 20 0 GIADRO C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2cccc(NC(=O)c3cccs3)c2)CC1 ZINC000125495969 823680843 /nfs/dbraw/zinc/68/08/43/823680843.db2.gz BGIJICSBLLRTQH-MRXNPFEDSA-N 1 0 397.544 4.089 20 0 GIADRO Cc1c2cc(Br)ccc2oc1C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000461687071 823681273 /nfs/dbraw/zinc/68/12/73/823681273.db2.gz ICYGYNVFDLGNEK-GFCCVEGCSA-N 1 0 381.314 4.210 20 0 GIADRO CC(C)Oc1ccc([C@H](O)C[NH2+][C@H](C)c2cnn(Cc3ccccc3)c2)cc1 ZINC000125511975 823681886 /nfs/dbraw/zinc/68/18/86/823681886.db2.gz TYLCKKYJNKDYIH-WZONZLPQSA-N 1 0 379.504 4.103 20 0 GIADRO CC(C)Oc1ccc([C@@H](O)C[NH2+][C@@H](C)c2cnn(Cc3ccccc3)c2)cc1 ZINC000125511783 823681900 /nfs/dbraw/zinc/68/19/00/823681900.db2.gz TYLCKKYJNKDYIH-MBSDFSHPSA-N 1 0 379.504 4.103 20 0 GIADRO COc1ccc([C@@H](CN[C@@H](c2ncc[nH]2)c2ccccc2)[NH+]2CCCCC2)cc1 ZINC000125518353 823682382 /nfs/dbraw/zinc/68/23/82/823682382.db2.gz SMSJNUYIJGITEK-DHIUTWEWSA-N 1 0 390.531 4.325 20 0 GIADRO COc1cccc([C@@H](O)C[N@H+](CCc2csc(C)n2)Cc2ccccc2)c1 ZINC000125524095 823682679 /nfs/dbraw/zinc/68/26/79/823682679.db2.gz JTLMPOABFNZVJX-QFIPXVFZSA-N 1 0 382.529 4.238 20 0 GIADRO CCCN(CCC[NH+](C)C)C(=O)Nc1ccc(Oc2ccc(Cl)nn2)cc1 ZINC000191418926 823683241 /nfs/dbraw/zinc/68/32/41/823683241.db2.gz IETRCRWCWZRRGC-UHFFFAOYSA-N 1 0 391.903 4.118 20 0 GIADRO Cc1ccc([C@@H]2CCC[N@@H+]2CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)cc1C ZINC000063626256 823684613 /nfs/dbraw/zinc/68/46/13/823684613.db2.gz WGPFYSPKYIMTJI-URXFXBBRSA-N 1 0 391.559 4.083 20 0 GIADRO C[NH+](C)CC1CCN(c2ccc(NCc3nccn3-c3ccccc3)cc2)CC1 ZINC000191438736 823685228 /nfs/dbraw/zinc/68/52/28/823685228.db2.gz QTMSTUOFHNDLPV-UHFFFAOYSA-N 1 0 389.547 4.262 20 0 GIADRO C[C@@H](NC(=O)CSCc1ccc(Cl)cc1Cl)C(C)(C)C[NH+](C)C ZINC000461707888 823685241 /nfs/dbraw/zinc/68/52/41/823685241.db2.gz WBBYDGPBGMHFJB-GFCCVEGCSA-N 1 0 377.381 4.319 20 0 GIADRO CC(C)Cc1nc(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cs1 ZINC000063636728 823685633 /nfs/dbraw/zinc/68/56/33/823685633.db2.gz XMWGVCZIAPIQQQ-UHFFFAOYSA-N 1 0 391.968 4.389 20 0 GIADRO CCN(C(=O)NC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)[C@H](C)c1cccnc1 ZINC000125573765 823686587 /nfs/dbraw/zinc/68/65/87/823686587.db2.gz PAPRRFXKLPTPOK-ZVDOUQERSA-N 1 0 380.536 4.085 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)c2c(F)cc(Br)cc2F)c1 ZINC000125588069 823687645 /nfs/dbraw/zinc/68/76/45/823687645.db2.gz GDBNVUYRFHDEDY-UHFFFAOYSA-N 1 0 397.263 4.109 20 0 GIADRO CCCn1ccnc1CCC[N@H+](C)[C@H](C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000191472839 823688797 /nfs/dbraw/zinc/68/87/97/823688797.db2.gz FSWRMHADZQMWOQ-CQSZACIVSA-N 1 0 397.350 4.492 20 0 GIADRO O=C(CSCc1ccccn1)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000063679090 823688841 /nfs/dbraw/zinc/68/88/41/823688841.db2.gz XAHNMCKWHOURDK-UHFFFAOYSA-N 1 0 383.561 4.007 20 0 GIADRO CCCN(CC[NH+](CC)CC)C(=O)c1ccc(C)c(NC(=O)NC(C)(C)C)c1 ZINC000461732226 823688904 /nfs/dbraw/zinc/68/89/04/823688904.db2.gz YLMMNAMBHMHZMZ-UHFFFAOYSA-N 1 0 390.572 4.109 20 0 GIADRO C[C@H]([NH2+][C@H]1CCCN(c2cccc(F)c2)C1)c1ccc(N2CCOC2=O)cc1 ZINC000125599399 823688942 /nfs/dbraw/zinc/68/89/42/823688942.db2.gz OGNYZZGVZFLTSF-LPHOPBHVSA-N 1 0 383.467 4.102 20 0 GIADRO COc1ccc(CCC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)cc1F ZINC000063679678 823688975 /nfs/dbraw/zinc/68/89/75/823688975.db2.gz WTIOYVSHEVUWFK-UHFFFAOYSA-N 1 0 398.522 4.459 20 0 GIADRO CC(=O)Nc1ccc2c(C[NH+]3CCC(OC4CCCCC4)CC3)cc(=O)oc2c1 ZINC000125609974 823689716 /nfs/dbraw/zinc/68/97/16/823689716.db2.gz HBIQBZDQVQBXRE-UHFFFAOYSA-N 1 0 398.503 4.065 20 0 GIADRO CC(C)c1ccc(-c2noc(CCC(=O)NC[C@H]3CCC[N@@H+](C(C)C)C3)n2)cc1 ZINC000063694089 823689764 /nfs/dbraw/zinc/68/97/64/823689764.db2.gz WXPJNDJLCGOPMM-GOSISDBHSA-N 1 0 398.551 4.029 20 0 GIADRO CC(C)(C)OC(=O)CC[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000412897385 823689900 /nfs/dbraw/zinc/68/99/00/823689900.db2.gz JRWOVHFXQACFHE-MOPGFXCFSA-N 1 0 392.584 4.002 20 0 GIADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H](C)Cc1ccc(Br)cc1 ZINC000125616770 823690314 /nfs/dbraw/zinc/69/03/14/823690314.db2.gz KUEGQZMYXFDMBJ-HZPDHXFCSA-N 1 0 383.374 4.254 20 0 GIADRO CC(C)c1ccc(-c2ncc(C[N@@H+]3CCCC[C@@H]3[C@H]3CNC(=O)C3)s2)cc1 ZINC000125617790 823690478 /nfs/dbraw/zinc/69/04/78/823690478.db2.gz DXJWGIYOVXDLBW-UYAOXDASSA-N 1 0 383.561 4.424 20 0 GIADRO Cc1csc(C[NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)n1 ZINC000191491967 823690794 /nfs/dbraw/zinc/69/07/94/823690794.db2.gz MLGCHNPKNPABQP-KRWDZBQOSA-N 1 0 381.339 4.472 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCCN(c2cccc(F)c2)C1)c1cccc(N2CCOC2=O)c1 ZINC000125621928 823690855 /nfs/dbraw/zinc/69/08/55/823690855.db2.gz MGWOGDXGLFCVHL-APWZRJJASA-N 1 0 383.467 4.102 20 0 GIADRO C[C@@H](NC(=O)NC1CC[NH+](C2CC2)CC1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000125630186 823691528 /nfs/dbraw/zinc/69/15/28/823691528.db2.gz ABJWCJGDIHNKSX-ZIAGYGMSSA-N 1 0 383.458 4.123 20 0 GIADRO CC(C)(C)[N@@H+]1CCCN(C(=O)COc2ccc3oc4c(c3c2)CCCC4)CC1 ZINC000063723639 823691767 /nfs/dbraw/zinc/69/17/67/823691767.db2.gz IDWZVDYPFFZDST-UHFFFAOYSA-N 1 0 384.520 4.023 20 0 GIADRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2cc3ccccc3cc2NC(=O)C2CC2)CC1 ZINC000063723694 823691785 /nfs/dbraw/zinc/69/17/85/823691785.db2.gz CAPCMZZHXQBAKB-UHFFFAOYSA-N 1 0 393.531 4.135 20 0 GIADRO COC[C@H](Cc1ccccc1)[N@H+](C)Cc1csc(-c2ccc(O)c(OC)c2)n1 ZINC000191499073 823691793 /nfs/dbraw/zinc/69/17/93/823691793.db2.gz QUJCDHFSMBTCJW-IBGZPJMESA-N 1 0 398.528 4.214 20 0 GIADRO Brc1cccc([C@@H]([NH2+]CCc2nccs2)C2CCOCC2)c1 ZINC000191506176 823692844 /nfs/dbraw/zinc/69/28/44/823692844.db2.gz DACYEGHPUHCGNN-KRWDZBQOSA-N 1 0 381.339 4.206 20 0 GIADRO Brc1cccc([C@H]([NH2+]CCc2nccs2)C2CCOCC2)c1 ZINC000191506160 823692824 /nfs/dbraw/zinc/69/28/24/823692824.db2.gz DACYEGHPUHCGNN-QGZVFWFLSA-N 1 0 381.339 4.206 20 0 GIADRO CCOC(=O)N1CCC([NH2+][C@@H](C)c2cnn(-c3cc(C)ccc3C)c2C)CC1 ZINC000125646203 823692997 /nfs/dbraw/zinc/69/29/97/823692997.db2.gz PAWSZQCAFDBXKD-KRWDZBQOSA-N 1 0 384.524 4.069 20 0 GIADRO OC1(C[NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)CCCCC1 ZINC000191506840 823693053 /nfs/dbraw/zinc/69/30/53/823693053.db2.gz OYDKXJVSIMGPNG-SFHVURJKSA-N 1 0 382.342 4.202 20 0 GIADRO CCCn1ccnc1CCC[N@H+](C)[C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000191508436 823693245 /nfs/dbraw/zinc/69/32/45/823693245.db2.gz POCRVYSOCKSJGE-MRXNPFEDSA-N 1 0 385.487 4.416 20 0 GIADRO Cc1nc2cc(F)ccc2cc1C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000063745634 823693352 /nfs/dbraw/zinc/69/33/52/823693352.db2.gz XCGXBUCFEKWQRQ-UHFFFAOYSA-N 1 0 383.511 4.411 20 0 GIADRO CC[N@@H+](Cc1cc(Br)ccc1F)C[C@H](O)c1ccc(F)c(F)c1 ZINC000063751473 823693586 /nfs/dbraw/zinc/69/35/86/823693586.db2.gz MQZLIKCYTLQURI-KRWDZBQOSA-N 1 0 388.227 4.422 20 0 GIADRO c1cc2c(ncnc2N2CC[NH+](Cc3cccc(-c4ccncc4)c3)CC2)s1 ZINC000125651994 823693763 /nfs/dbraw/zinc/69/37/63/823693763.db2.gz WMGCRNTVSJDTJA-UHFFFAOYSA-N 1 0 387.512 4.076 20 0 GIADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)COC(c2ccccc2)c2ccccc2)C1 ZINC000063758450 823693970 /nfs/dbraw/zinc/69/39/70/823693970.db2.gz YEWZYBBGPYIFKH-OAQYLSRUSA-N 1 0 394.559 4.421 20 0 GIADRO Cc1ccc(CC[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)cn1 ZINC000191513528 823694066 /nfs/dbraw/zinc/69/40/66/823694066.db2.gz BFIYLCLXVUXMIE-HXUWFJFHSA-N 1 0 389.337 4.453 20 0 GIADRO C[N@H+](CCCCCc1cc(-c2cccc(F)c2)no1)Cc1ccc(C(N)=O)cc1 ZINC000063763715 823694208 /nfs/dbraw/zinc/69/42/08/823694208.db2.gz JCTUFZBWFLTICT-UHFFFAOYSA-N 1 0 395.478 4.424 20 0 GIADRO CC(C)(C)C[C@H](O)C[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000191515865 823694409 /nfs/dbraw/zinc/69/44/09/823694409.db2.gz STDZVOBAGFVPGD-ZWKOTPCHSA-N 1 0 384.358 4.304 20 0 GIADRO O=C1Nc2ccccc2C12CCC([NH2+][C@H]1CCCN(c3cccc(F)c3)C1)CC2 ZINC000125663019 823694623 /nfs/dbraw/zinc/69/46/23/823694623.db2.gz PWFGDURCQAQHKI-SZTYLXMGSA-N 1 0 393.506 4.217 20 0 GIADRO COc1ccc(CC[NH2+]Cc2cn(-c3ccccc3)nc2C(C)C)c(OC)c1 ZINC000063776462 823695083 /nfs/dbraw/zinc/69/50/83/823695083.db2.gz JZLAHMDZTHRDGF-UHFFFAOYSA-N 1 0 379.504 4.345 20 0 GIADRO Cc1n[nH]c(C)c1[C@H](C)CC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000125668650 823695170 /nfs/dbraw/zinc/69/51/70/823695170.db2.gz XUBOWFIUVQXEIR-QGZVFWFLSA-N 1 0 382.552 4.213 20 0 GIADRO COc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccc(C)nc1-n1cc(Cl)cn1 ZINC000191525205 823695314 /nfs/dbraw/zinc/69/53/14/823695314.db2.gz UFERYZIHHADPMT-HXUWFJFHSA-N 1 0 382.895 4.405 20 0 GIADRO C[C@H]1CCCN(c2cc(C(=O)Nc3ccc(C[NH+]4CCCC4)cc3)ccn2)C1 ZINC000461787311 823695305 /nfs/dbraw/zinc/69/53/05/823695305.db2.gz TUOGCFCBTBKXBJ-SFHVURJKSA-N 1 0 378.520 4.166 20 0 GIADRO CC(C)C[NH+]1CCC(NC(=O)C[C@@H](C)c2ccc(F)c(Br)c2)CC1 ZINC000461786883 823695327 /nfs/dbraw/zinc/69/53/27/823695327.db2.gz SHUKUXWRMWKQAA-CQSZACIVSA-N 1 0 399.348 4.318 20 0 GIADRO C[C@@H](CNC(=O)c1cc2cc(Br)ccc2o1)C[NH+]1CCCCC1 ZINC000063781884 823695433 /nfs/dbraw/zinc/69/54/33/823695433.db2.gz WYIPHYOAXWLGPO-ZDUSSCGKSA-N 1 0 379.298 4.047 20 0 GIADRO C[NH+]1CCC(NC(=O)Nc2ccccc2SC[C@@H]2CC2(Cl)Cl)CC1 ZINC000125686138 823696754 /nfs/dbraw/zinc/69/67/54/823696754.db2.gz IWISEYJKXPIFHB-LBPRGKRZSA-N 1 0 388.364 4.188 20 0 GIADRO COc1cccc(NC(=S)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)c1 ZINC000063793863 823697101 /nfs/dbraw/zinc/69/71/01/823697101.db2.gz QCXZNIFFQVCIKY-UHFFFAOYSA-N 1 0 396.560 4.036 20 0 GIADRO CCn1c(Cc2ccccc2)nnc1S[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000412982517 823697105 /nfs/dbraw/zinc/69/71/05/823697105.db2.gz KOONZZXYXSJKKQ-FQEVSTJZSA-N 1 0 378.545 4.255 20 0 GIADRO Cc1ccc(CNC2CC[NH+](C3CCCCC3)CC2)c(-n2cc(Cl)cn2)n1 ZINC000191536255 823697189 /nfs/dbraw/zinc/69/71/89/823697189.db2.gz CBUUBWXDIUEYMM-UHFFFAOYSA-N 1 0 387.959 4.116 20 0 GIADRO COc1ccc(C[N@@H+]2CCCN(C(=O)NCc3c(C)cc(C)cc3C)CC2)cc1 ZINC000063798508 823697793 /nfs/dbraw/zinc/69/77/93/823697793.db2.gz DNWQTCRQYYWYIM-UHFFFAOYSA-N 1 0 395.547 4.038 20 0 GIADRO C[NH+](C)Cc1ccc(-c2noc([C@H](OC3CCOCC3)c3ccccc3)n2)cc1 ZINC000461803496 823697814 /nfs/dbraw/zinc/69/78/14/823697814.db2.gz ZAPXKKMJDOLIME-OAQYLSRUSA-N 1 0 393.487 4.083 20 0 GIADRO COc1cccc(CN(C)C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)c1 ZINC000063799594 823697977 /nfs/dbraw/zinc/69/79/77/823697977.db2.gz ZEBRSFYIQROILX-UHFFFAOYSA-N 1 0 395.547 4.413 20 0 GIADRO C[C@H]1CCC[C@](CNC(=O)c2ccccc2NC(=O)c2ccccc2)([NH+](C)C)C1 ZINC000063802852 823698317 /nfs/dbraw/zinc/69/83/17/823698317.db2.gz LVJLZXIWYDDUST-UUOWRZLLSA-N 1 0 393.531 4.179 20 0 GIADRO Cc1ccc(-c2nc(CC(=O)NC[C@@H](C3CCCCC3)[NH+](C)C)cs2)cc1 ZINC000063804334 823698360 /nfs/dbraw/zinc/69/83/60/823698360.db2.gz AYFSUAMXFKPDJN-FQEVSTJZSA-N 1 0 385.577 4.288 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1)CCS2 ZINC000191549921 823698611 /nfs/dbraw/zinc/69/86/11/823698611.db2.gz KTRNGIQVMTYEQK-XGWLTEMNSA-N 1 0 375.456 4.305 20 0 GIADRO CCOC(=O)c1csc(CC[NH2+][C@H](C)Cc2c(Cl)cccc2Cl)n1 ZINC000191551913 823698712 /nfs/dbraw/zinc/69/87/12/823698712.db2.gz XPJKSNQQCDMNKL-LLVKDONJSA-N 1 0 387.332 4.390 20 0 GIADRO CCOC(=O)c1csc(CC[NH2+][C@@H](C)Cc2c(Cl)cccc2Cl)n1 ZINC000191551898 823698770 /nfs/dbraw/zinc/69/87/70/823698770.db2.gz XPJKSNQQCDMNKL-NSHDSACASA-N 1 0 387.332 4.390 20 0 GIADRO CCOC(=O)c1csc(CC[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)n1 ZINC000191554255 823699132 /nfs/dbraw/zinc/69/91/32/823699132.db2.gz WTXOOYMIVFUXNP-HXUWFJFHSA-N 1 0 384.476 4.381 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1C(=O)N(CC[NH+](C)C)c1ccccc1 ZINC000063829376 823700022 /nfs/dbraw/zinc/70/00/22/823700022.db2.gz QNSZYRPYEICXFQ-UHFFFAOYSA-N 1 0 383.492 4.466 20 0 GIADRO COCC[C@H](Cc1cccc(F)c1)[NH2+][C@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000191564429 823700293 /nfs/dbraw/zinc/70/02/93/823700293.db2.gz DQLLIZCOHDECHK-DNVCBOLYSA-N 1 0 399.466 4.183 20 0 GIADRO COCC[C@@H](Cc1cccc(F)c1)[NH2+][C@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000191564400 823700325 /nfs/dbraw/zinc/70/03/25/823700325.db2.gz DQLLIZCOHDECHK-BEFAXECRSA-N 1 0 399.466 4.183 20 0 GIADRO CC[C@H](CNC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)CC(F)(F)F ZINC000413043966 823701199 /nfs/dbraw/zinc/70/11/99/823701199.db2.gz CYZSLVBBKPLIRP-UONOGXRCSA-N 1 0 377.476 4.163 20 0 GIADRO COc1cc2[nH+]ccc(N(C)CC(=O)Nc3c(C)cc(C)cc3C)c2cc1OC ZINC000413040882 823701262 /nfs/dbraw/zinc/70/12/62/823701262.db2.gz IYZLNHASJXBKQL-UHFFFAOYSA-N 1 0 393.487 4.252 20 0 GIADRO CC[C@H](CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)CC(F)(F)F ZINC000413043959 823701320 /nfs/dbraw/zinc/70/13/20/823701320.db2.gz CYZSLVBBKPLIRP-KBPBESRZSA-N 1 0 377.476 4.163 20 0 GIADRO CCN1c2ccc(N[C@@H](C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc2CCC1=O ZINC000574320482 823702198 /nfs/dbraw/zinc/70/21/98/823702198.db2.gz ROLICIQFZPJFGZ-GHTZIAJQSA-N 1 0 377.532 4.308 20 0 GIADRO c1ccc(CCOC2CC[NH+](CCCc3nc(-c4ccccc4)no3)CC2)cc1 ZINC000125736076 823702221 /nfs/dbraw/zinc/70/22/21/823702221.db2.gz ZXPSAQLKQAPGCK-UHFFFAOYSA-N 1 0 391.515 4.393 20 0 GIADRO CCN1c2ccc(N[C@H](C)[C@H]3CC[N@H+](Cc4ccccc4)C3)cc2CCC1=O ZINC000574320485 823702239 /nfs/dbraw/zinc/70/22/39/823702239.db2.gz ROLICIQFZPJFGZ-NQIIRXRSSA-N 1 0 377.532 4.308 20 0 GIADRO O=C(C[NH+]1CCC2(CCCC2)CC1)NCc1cccc(COCc2ccco2)c1 ZINC000574320427 823702281 /nfs/dbraw/zinc/70/22/81/823702281.db2.gz VULVWQVAAJKXTD-UHFFFAOYSA-N 1 0 396.531 4.269 20 0 GIADRO CCCN(C(=O)c1cc2c(C)nn(Cc3ccccc3)c2s1)C1CC[NH2+]CC1 ZINC000163340469 823702829 /nfs/dbraw/zinc/70/28/29/823702829.db2.gz VRTAVXPFVNGKTA-UHFFFAOYSA-N 1 0 396.560 4.059 20 0 GIADRO COC[C@H](C)Oc1ccc(Cl)cc1NC1CC[NH+](Cc2ccncc2)CC1 ZINC000191575002 823702895 /nfs/dbraw/zinc/70/28/95/823702895.db2.gz VZQCNYUYKROLFR-INIZCTEOSA-N 1 0 389.927 4.225 20 0 GIADRO C[C@H]([NH2+][C@@H](COc1ccccc1F)C(C)(C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000163348142 823703040 /nfs/dbraw/zinc/70/30/40/823703040.db2.gz CAVXCGMHYHIEDZ-YWZLYKJASA-N 1 0 393.524 4.374 20 0 GIADRO O=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000413085176 823704667 /nfs/dbraw/zinc/70/46/67/823704667.db2.gz NMTNFKOKLJUWPJ-UHFFFAOYSA-N 1 0 391.515 4.161 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)Cc2cnccc2Cl)CC1 ZINC000574339096 823704893 /nfs/dbraw/zinc/70/48/93/823704893.db2.gz MCEYGKUXSNJEGT-UHFFFAOYSA-N 1 0 394.302 4.043 20 0 GIADRO O=C(c1ccc(Nc2cc[nH+]cc2)cc1)N1CC[C@@](F)(c2ccccc2F)C1 ZINC000574342503 823705232 /nfs/dbraw/zinc/70/52/32/823705232.db2.gz ZIYSHMUBVJJPBE-QFIPXVFZSA-N 1 0 379.410 4.097 20 0 GIADRO C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+]Cc1ccc(N2CCOCC2)nc1 ZINC000574358737 823707940 /nfs/dbraw/zinc/70/79/40/823707940.db2.gz MCNDBCRMCPBTCS-LFIBNONCSA-N 1 0 391.437 4.130 20 0 GIADRO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000191602537 823709821 /nfs/dbraw/zinc/70/98/21/823709821.db2.gz QTQONTAUSJHZBU-SFHVURJKSA-N 1 0 376.545 4.201 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+]C2CCN(C(=O)CC(C)C)CC2)cc1OCC ZINC000163453843 823711055 /nfs/dbraw/zinc/71/10/55/823711055.db2.gz UYSOKNWDMXVBLG-KRWDZBQOSA-N 1 0 376.541 4.172 20 0 GIADRO Cc1nc(-c2cc([C@H](C)[NH2+][C@@H]3CCO[C@H](c4nccn4C)C3)cs2)cs1 ZINC000574372620 823711784 /nfs/dbraw/zinc/71/17/84/823711784.db2.gz BDBVMHCPZMHXGE-MJEQTWJJSA-N 1 0 388.562 4.484 20 0 GIADRO Cc1c([C@H](C)[NH2+]CCCOC[C@H]2CCCO2)cnn1-c1cccc(Cl)c1 ZINC000163465011 823712081 /nfs/dbraw/zinc/71/20/81/823712081.db2.gz PZSATRUQNCKGHR-HNAYVOBHSA-N 1 0 377.916 4.070 20 0 GIADRO C[C@H](c1ccco1)[N@H+](C)Cc1ccc(Br)cc1N1CCOCC1 ZINC000191610575 823712147 /nfs/dbraw/zinc/71/21/47/823712147.db2.gz FEFUAHKCUSWSRO-CQSZACIVSA-N 1 0 379.298 4.072 20 0 GIADRO Cc1oc(NC(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)nc1C1CC1 ZINC000574375439 823712807 /nfs/dbraw/zinc/71/28/07/823712807.db2.gz JIWMBSOQOMGEQJ-SFHVURJKSA-N 1 0 382.508 4.284 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)COCc1ccccc1Cl)c1ccc(OC(F)F)cc1 ZINC000125799998 823713513 /nfs/dbraw/zinc/71/35/13/823713513.db2.gz NVHOPAXMZJBHDF-XJKSGUPXSA-N 1 0 385.838 4.170 20 0 GIADRO O=C(Nc1ccc2c(c1)C[NH2+]C2)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000574383180 823715170 /nfs/dbraw/zinc/71/51/70/823715170.db2.gz ZZJZKGNIJXZHDQ-MRXNPFEDSA-N 1 0 392.286 4.282 20 0 GIADRO c1nc2c(ncnc2NCc2ccccc2C[NH+]2CCCCCC2)n1C1CC1 ZINC000574385204 823715617 /nfs/dbraw/zinc/71/56/17/823715617.db2.gz LIJRVNVJIFOPLI-UHFFFAOYSA-N 1 0 376.508 4.149 20 0 GIADRO CCc1c(NC(=O)NC2CC[NH+](C3CCCC3)CC2)cnn1-c1ccccc1C ZINC000191626297 823717424 /nfs/dbraw/zinc/71/74/24/823717424.db2.gz AYMBERTWJHMWDQ-UHFFFAOYSA-N 1 0 395.551 4.272 20 0 GIADRO Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000191626469 823717659 /nfs/dbraw/zinc/71/76/59/823717659.db2.gz BFHBOTLNIDOVMW-UHFFFAOYSA-N 1 0 393.409 4.025 20 0 GIADRO COc1ccccc1-c1nc(C2CC[NH+](Cc3ccccc3N(C)C)CC2)no1 ZINC000191631653 823719045 /nfs/dbraw/zinc/71/90/45/823719045.db2.gz ZRWUHFXLRPORIF-UHFFFAOYSA-N 1 0 392.503 4.191 20 0 GIADRO COc1cc(Br)ccc1[C@@H](C)[NH2+]C1CCN(c2nccs2)CC1 ZINC000191631908 823719574 /nfs/dbraw/zinc/71/95/74/823719574.db2.gz JYTWSUQCOMHAIN-GFCCVEGCSA-N 1 0 396.354 4.234 20 0 GIADRO COc1ccccc1-c1nc(C2CC[NH+](Cc3c[nH]nc3C(C)(C)C)CC2)no1 ZINC000191634196 823720525 /nfs/dbraw/zinc/72/05/25/823720525.db2.gz GLOOHFJHEMGHTJ-UHFFFAOYSA-N 1 0 395.507 4.145 20 0 GIADRO Clc1cc(Cl)cc(-c2nnc(N3CC[C@H](C[NH+]4CCCC4)C3)s2)c1 ZINC000574405160 823720689 /nfs/dbraw/zinc/72/06/89/823720689.db2.gz ZGCZZKKBJYLGHC-GFCCVEGCSA-N 1 0 383.348 4.434 20 0 GIADRO CC[NH+](CC)CCO[C@H]1CCN(c2nc(C(F)F)nc3ccc(Cl)cc32)C1 ZINC000413180952 823722534 /nfs/dbraw/zinc/72/25/34/823722534.db2.gz JEJAFZMARXSDFG-AWEZNQCLSA-N 1 0 398.885 4.158 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)c1ccc(Oc2ccccc2Cl)nc1 ZINC000574409914 823722615 /nfs/dbraw/zinc/72/26/15/823722615.db2.gz UAHKPAGUOHFDPO-UHFFFAOYSA-N 1 0 385.895 4.274 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1ccc2ccccc2n1 ZINC000191646466 823722860 /nfs/dbraw/zinc/72/28/60/823722860.db2.gz MTECBHBBESRZSF-QRQCRPRQSA-N 1 0 395.453 4.355 20 0 GIADRO Fc1ccc(COc2cccc(C[NH2+]CCc3nnc4n3CCCCC4)c2)cc1 ZINC000163574714 823724349 /nfs/dbraw/zinc/72/43/49/823724349.db2.gz GJCGYHKMDJFBQX-UHFFFAOYSA-N 1 0 394.494 4.055 20 0 GIADRO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2ccccc2Cn2ccnc2)cc1Cl ZINC000574428225 823726106 /nfs/dbraw/zinc/72/61/06/823726106.db2.gz YLOBNEXBHAINJM-QGZVFWFLSA-N 1 0 396.922 4.400 20 0 GIADRO CC(=O)c1ccc2c(c1)CN(C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1)C2 ZINC000413199076 823726250 /nfs/dbraw/zinc/72/62/50/823726250.db2.gz IOVNLJZQFZJUAB-HSZRJFAPSA-N 1 0 391.515 4.060 20 0 GIADRO CC(C)[C@](C)([NH2+]Cc1ccc(C(=O)N(C)C)[nH]1)c1ccc(Br)cc1 ZINC000191667080 823727336 /nfs/dbraw/zinc/72/73/36/823727336.db2.gz XZTUGOUXDHBWHD-IBGZPJMESA-N 1 0 392.341 4.140 20 0 GIADRO CCN(CCC[NH+](C)C)C(=O)Nc1cc(Cl)c(C)cc1Br ZINC000191666449 823727379 /nfs/dbraw/zinc/72/73/79/823727379.db2.gz FCMKVBNGWNURRT-UHFFFAOYSA-N 1 0 376.726 4.216 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccccc1N1CCCCC1 ZINC000574435189 823728634 /nfs/dbraw/zinc/72/86/34/823728634.db2.gz OHIRBGOOHZTXQA-NFBKMPQASA-N 1 0 391.559 4.317 20 0 GIADRO Fc1ccc(COc2cccc(C[NH2+]Cc3ccnc(-n4cccn4)c3)c2)cc1 ZINC000163622521 823728839 /nfs/dbraw/zinc/72/88/39/823728839.db2.gz QGBCLPFIQQYVCE-UHFFFAOYSA-N 1 0 388.446 4.275 20 0 GIADRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C ZINC000191678435 823730589 /nfs/dbraw/zinc/73/05/89/823730589.db2.gz STXISCFEPPGYIA-IAGOWNOFSA-N 1 0 389.540 4.079 20 0 GIADRO COC[C@@]1(C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)OCCc2ccccc21 ZINC000574442492 823731329 /nfs/dbraw/zinc/73/13/29/823731329.db2.gz LMCGLUPVHGINBN-XUZZJYLKSA-N 1 0 379.500 4.137 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000163649178 823732429 /nfs/dbraw/zinc/73/24/29/823732429.db2.gz OWBVRISDMZWVAQ-XZOQPEGZSA-N 1 0 395.547 4.248 20 0 GIADRO C[C@H](CC(=O)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1)[C@H]1CCC[NH2+]C1 ZINC000574450837 823733835 /nfs/dbraw/zinc/73/38/35/823733835.db2.gz UWVIMNDPYHMPHE-ZRGWGRIASA-N 1 0 386.433 4.128 20 0 GIADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C)c2ccc(Br)s2)C1 ZINC000163662624 823734001 /nfs/dbraw/zinc/73/40/01/823734001.db2.gz GUULMJZUWUVBOD-KBPBESRZSA-N 1 0 387.387 4.098 20 0 GIADRO [NH3+]C1CCC(OCC(=O)N(Cc2ccccc2C(F)(F)F)C2CCCC2)CC1 ZINC000574453059 823734277 /nfs/dbraw/zinc/73/42/77/823734277.db2.gz UWNYENDVLHYYFS-UHFFFAOYSA-N 1 0 398.469 4.263 20 0 GIADRO CC[NH+]1CCN(c2ccc(N[C@H](C)c3nc(-c4cccs4)no3)c(C)c2)CC1 ZINC000125874907 823734512 /nfs/dbraw/zinc/73/45/12/823734512.db2.gz QOFRJCJHXQGUJJ-MRXNPFEDSA-N 1 0 397.548 4.422 20 0 GIADRO Cc1c([C@@H](C)NC[C@H]2CCC[N@@H+](C(C)C)C2)nnn1-c1ccc(Cl)cc1 ZINC000125878018 823734987 /nfs/dbraw/zinc/73/49/87/823734987.db2.gz AMSRPKWACPNNCD-NVXWUHKLSA-N 1 0 375.948 4.000 20 0 GIADRO COC1CCN(CC[NH2+][C@@H]2CCCc3nc(-c4ccccc4F)sc32)CC1 ZINC000163684743 823736530 /nfs/dbraw/zinc/73/65/30/823736530.db2.gz HWHPGQIGNVXCAL-GOSISDBHSA-N 1 0 389.540 4.027 20 0 GIADRO COc1ccccc1-c1ccc(C[N@H+](CCCCS(C)(=O)=O)C(C)C)cc1 ZINC000163686252 823736652 /nfs/dbraw/zinc/73/66/52/823736652.db2.gz NYAYYVUDOMOEBE-UHFFFAOYSA-N 1 0 389.561 4.397 20 0 GIADRO CC(C)[N@@H+](Cc1ccc(NC(=O)N2CCC[C@H](F)C2)cc1)C[C@H]1CCCCO1 ZINC000574462212 823736831 /nfs/dbraw/zinc/73/68/31/823736831.db2.gz BAPDMZBDBWFHDS-PZJWPPBQSA-N 1 0 391.531 4.432 20 0 GIADRO Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000413248837 823738066 /nfs/dbraw/zinc/73/80/66/823738066.db2.gz XSVRUJIVPXYHIZ-GDAAHCPNSA-N 1 0 385.552 4.067 20 0 GIADRO COCOc1ccc(OC)cc1CNCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000163696228 823738638 /nfs/dbraw/zinc/73/86/38/823738638.db2.gz CAOKUNMVUBAWBW-IBGZPJMESA-N 1 0 398.547 4.342 20 0 GIADRO COc1ccc2c(c1)C[C@@H]([NH2+][C@@H](c1cncc(Br)c1)C1CC1)CC2 ZINC000574469986 823738643 /nfs/dbraw/zinc/73/86/43/823738643.db2.gz WTLDAWJEZGVGTO-AZUAARDMSA-N 1 0 387.321 4.451 20 0 GIADRO COc1cc(C[NH2+]CCOc2ccccc2C)ccc1OCc1ccncc1 ZINC000125891839 823738800 /nfs/dbraw/zinc/73/88/00/823738800.db2.gz ZOGTVCNBERSNFM-UHFFFAOYSA-N 1 0 378.472 4.146 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@@H]2CCN(CC(F)(F)F)C2)ccc1SC(F)F ZINC000125894869 823739097 /nfs/dbraw/zinc/73/90/97/823739097.db2.gz XTRMMJUECJNFNE-ZYHUDNBSSA-N 1 0 384.414 4.297 20 0 GIADRO C[C@H]([NH2+][C@@H](CN1CCOCC1)c1ccccc1)c1cccc(OC(F)F)c1 ZINC000163700457 823739354 /nfs/dbraw/zinc/73/93/54/823739354.db2.gz LZJZGVKVUOQDOU-JXFKEZNVSA-N 1 0 376.447 4.012 20 0 GIADRO O=C(Nc1ccc(-c2csnn2)cc1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000461889281 823739554 /nfs/dbraw/zinc/73/95/54/823739554.db2.gz KWNJQIPJHUNANR-HXUWFJFHSA-N 1 0 378.501 4.198 20 0 GIADRO Cn1cc([C@@H](CO)[NH2+][C@H](CCCc2ccccc2)Cc2ccc(Cl)cc2)cn1 ZINC000461888781 823739599 /nfs/dbraw/zinc/73/95/99/823739599.db2.gz IYQTYRDOMWCIKB-DHIUTWEWSA-N 1 0 397.950 4.331 20 0 GIADRO CC[NH+](CC)CCSCC(=O)Nc1ccccc1CN1CCc2ccccc21 ZINC000461891824 823740872 /nfs/dbraw/zinc/74/08/72/823740872.db2.gz YCVCPVBHUUZCIY-UHFFFAOYSA-N 1 0 397.588 4.263 20 0 GIADRO CC(C)c1c(NC(=O)NC[C@@H]2CCC[N@H+](C)C2)cnn1-c1ccc(Cl)cc1 ZINC000191704685 823741409 /nfs/dbraw/zinc/74/14/09/823741409.db2.gz PBMJFSIGFGFYIS-HNNXBMFYSA-N 1 0 389.931 4.112 20 0 GIADRO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+][C@H](CN1CCOCC1)c1ccccc1 ZINC000163724258 823742220 /nfs/dbraw/zinc/74/22/20/823742220.db2.gz YNILKMGPMWYGJF-VQIMIIECSA-N 1 0 387.593 4.473 20 0 GIADRO CC[C@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)c1ccccc1OC(F)F ZINC000163736428 823743345 /nfs/dbraw/zinc/74/33/45/823743345.db2.gz VLMRNGIGVNZNON-FQEVSTJZSA-N 1 0 390.474 4.361 20 0 GIADRO CCC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(OC)c1 ZINC000163742159 823744463 /nfs/dbraw/zinc/74/44/63/823744463.db2.gz NCUDMWPZLBLBFX-QFBILLFUSA-N 1 0 375.534 4.161 20 0 GIADRO COC[C@H](C)[C@@H](C)C(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000461901172 823745255 /nfs/dbraw/zinc/74/52/55/823745255.db2.gz VGHYGSYSFHXMER-VQTJNVASSA-N 1 0 394.559 4.484 20 0 GIADRO CC[C@H]([NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1)c1ccncc1 ZINC000163771687 823746989 /nfs/dbraw/zinc/74/69/89/823746989.db2.gz HLCOTLYESHDUFG-DYVFJYSZSA-N 1 0 376.298 4.302 20 0 GIADRO C[C@@H]([NH2+]CCc1ccc(F)cc1Cl)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000574492480 823747217 /nfs/dbraw/zinc/74/72/17/823747217.db2.gz ZTWSNITYQCUUPH-CQSZACIVSA-N 1 0 390.886 4.030 20 0 GIADRO Cc1cccc2c(CCC(=O)NC[C@@H]3CC[N@H+](CCc4ccccc4)C3)c[nH]c21 ZINC000163777043 823747514 /nfs/dbraw/zinc/74/75/14/823747514.db2.gz OQQKHEBMSQSIEN-NRFANRHFSA-N 1 0 389.543 4.090 20 0 GIADRO C[C@H](C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(Br)c1 ZINC000461905324 823747595 /nfs/dbraw/zinc/74/75/95/823747595.db2.gz ZKPFCASYVFEEOS-BBWFWOEESA-N 1 0 395.385 4.427 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1sc(C(F)(F)F)nc1C)c1ccsc1 ZINC000461906226 823748165 /nfs/dbraw/zinc/74/81/65/823748165.db2.gz XJXIATIYGIMAGP-GFCCVEGCSA-N 1 0 391.484 4.345 20 0 GIADRO O=C(NCCCCC[NH+]1CCCCC1)N1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000413300084 823748309 /nfs/dbraw/zinc/74/83/09/823748309.db2.gz MWZFCIQEZDFMKR-QFIPXVFZSA-N 1 0 399.579 4.206 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(Cl)c2Br)[C@H](C)C1 ZINC000191731232 823750568 /nfs/dbraw/zinc/75/05/68/823750568.db2.gz HDEHWRNTRJIROW-BXUZGUMPSA-N 1 0 388.737 4.297 20 0 GIADRO C[C@@H](C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)c1cccc(Br)c1 ZINC000461910400 823750590 /nfs/dbraw/zinc/75/05/90/823750590.db2.gz ZKGQFVDCXVAJRI-HZPDHXFCSA-N 1 0 381.358 4.181 20 0 GIADRO COCCOCc1ccc(C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000461915134 823752515 /nfs/dbraw/zinc/75/25/15/823752515.db2.gz RVXJZNQPAFJXQJ-LJQANCHMSA-N 1 0 396.531 4.334 20 0 GIADRO C[C@@H](C(=O)NCCCC[N@@H+]1CCCC[C@H]1C)c1cccc(Br)c1 ZINC000461915199 823752565 /nfs/dbraw/zinc/75/25/65/823752565.db2.gz DVXLVRQWCTXDFF-HZPDHXFCSA-N 1 0 381.358 4.323 20 0 GIADRO COc1cncc(/C=C\CC[N@H+](C)Cc2cc(OC)c(OC)cc2SC)c1 ZINC000574516215 823753486 /nfs/dbraw/zinc/75/34/86/823753486.db2.gz WFPWOKYCQSKKGD-VURMDHGXSA-N 1 0 388.533 4.365 20 0 GIADRO C[C@H](CC(=O)N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000574516743 823754327 /nfs/dbraw/zinc/75/43/27/823754327.db2.gz SOMBIDJFLOKHTP-LORHWOILSA-N 1 0 382.470 4.484 20 0 GIADRO CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000413332877 823754425 /nfs/dbraw/zinc/75/44/25/823754425.db2.gz MOOLQZHHTFBXCZ-QFIPXVFZSA-N 1 0 381.520 4.297 20 0 GIADRO COc1ccc(COC[C@@H](O)C[N@H+]([C@@H](C)c2ccc(Cl)cc2)C2CC2)cc1 ZINC000064143142 823754696 /nfs/dbraw/zinc/75/46/96/823754696.db2.gz OYTAHHCTDMBSBS-KKSFZXQISA-N 1 0 389.923 4.452 20 0 GIADRO Cc1ncc([C@@H](C)[NH2+]Cc2cccc(NC(=O)c3ccc(F)cc3)c2)c(C)n1 ZINC000125971937 823756506 /nfs/dbraw/zinc/75/65/06/823756506.db2.gz LKKYSPMHQYQFAQ-CQSZACIVSA-N 1 0 378.451 4.336 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+]1CC(C)(C)[C@@H]2CCC[C@H]21 ZINC000574536959 823758122 /nfs/dbraw/zinc/75/81/22/823758122.db2.gz XGCVMXPXQLWMQL-WOJBJXKFSA-N 1 0 380.536 4.328 20 0 GIADRO CC[NH+]1CCC(CNC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2C)CC1 ZINC000574537914 823758860 /nfs/dbraw/zinc/75/88/60/823758860.db2.gz NZLHZBOPVZLKDH-UHFFFAOYSA-N 1 0 397.567 4.332 20 0 GIADRO CCOc1cc2[nH+]ccc(N3CC[C@@](CO)(c4ccccc4)C3)c2cc1OCC ZINC000461930458 823761980 /nfs/dbraw/zinc/76/19/80/823761980.db2.gz GNSOGOSCZNBENY-XMMPIXPASA-N 1 0 392.499 4.173 20 0 GIADRO COc1cccc(OC)c1OCCCC[N@@H+]1CCc2cc(OC)c(F)cc2C1 ZINC000574552137 823762908 /nfs/dbraw/zinc/76/29/08/823762908.db2.gz RNCKQOKSRCFSMZ-UHFFFAOYSA-N 1 0 389.467 4.069 20 0 GIADRO CCCN(CC[NH+](CC)CC)C(=O)N[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000461939150 823766250 /nfs/dbraw/zinc/76/62/50/823766250.db2.gz FHKJWXFVJMWMTD-NRFANRHFSA-N 1 0 386.515 4.074 20 0 GIADRO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc(F)cc1C(F)(F)F ZINC000126013428 823766347 /nfs/dbraw/zinc/76/63/47/823766347.db2.gz NBXVZUPUDJUUSM-INIZCTEOSA-N 1 0 380.385 4.239 20 0 GIADRO C[C@@H](C(=O)N1CCC([NH+]2CCCCC2)CC1)c1cccc(Br)c1 ZINC000461939983 823766650 /nfs/dbraw/zinc/76/66/50/823766650.db2.gz ZHQOQIRRNBDWKO-OAHLLOKOSA-N 1 0 379.342 4.030 20 0 GIADRO O[C@H](C[NH2+]Cc1nc2ccccc2n1C1CC1)Cc1ccc(C(F)(F)F)cc1 ZINC000574566977 823768948 /nfs/dbraw/zinc/76/89/48/823768948.db2.gz WKYULMBOIUUVHO-KRWDZBQOSA-N 1 0 389.421 4.083 20 0 GIADRO Cc1coc(-c2cccc(NC(=O)N[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C)c2)n1 ZINC000164027418 823771695 /nfs/dbraw/zinc/77/16/95/823771695.db2.gz DBJOMWFIJQFEKX-HRAATJIYSA-N 1 0 390.487 4.292 20 0 GIADRO Cc1cccc([C@H](NC(=O)N2CCC(CCC[NH+](C)C)CC2)c2ccccn2)c1 ZINC000164026879 823771716 /nfs/dbraw/zinc/77/17/16/823771716.db2.gz PGSDOVWKQJWSTC-QHCPKHFHSA-N 1 0 394.563 4.243 20 0 GIADRO CC[C@H](C(=O)N1CCCc2c(NC(=O)Nc3ccccc3F)cccc21)[NH+](C)C ZINC000413416232 823772673 /nfs/dbraw/zinc/77/26/73/823772673.db2.gz BPNSRBHFKARIOA-LJQANCHMSA-N 1 0 398.482 4.089 20 0 GIADRO Cc1c([C@@H](C)[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)cnn1-c1ccc(F)cc1 ZINC000164048762 823773771 /nfs/dbraw/zinc/77/37/71/823773771.db2.gz MEOTXIRXQDXKCW-SPPRZUHCSA-N 1 0 385.508 4.469 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+][C@H](CO)C[C@H](O)C(C)(C)C ZINC000574589828 823774078 /nfs/dbraw/zinc/77/40/78/823774078.db2.gz AULSWHBFGOQMJA-ZLIFDBKOSA-N 1 0 380.529 4.066 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@H]2CCCc3c2cnn3C)ccc1OCc1ccncc1 ZINC000164069921 823775307 /nfs/dbraw/zinc/77/53/07/823775307.db2.gz DONQJIXHMGAGSV-JXFKEZNVSA-N 1 0 392.503 4.131 20 0 GIADRO Cc1ccc([C@H](CNC(=O)NCc2nc3ccccc3s2)[NH+]2CCCC2)cc1 ZINC000064237725 823778264 /nfs/dbraw/zinc/77/82/64/823778264.db2.gz YXZOAXILVIATBW-IBGZPJMESA-N 1 0 394.544 4.241 20 0 GIADRO C[C@H](CCc1ccco1)NC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000064237937 823778287 /nfs/dbraw/zinc/77/82/87/823778287.db2.gz CYNVZGDUCGDSMT-LJQANCHMSA-N 1 0 383.536 4.476 20 0 GIADRO C[C@H]([NH2+]C1(CNC(=O)c2cn(C)nc2C2CCC2)CCCC1)c1ccccc1 ZINC000413440290 823778572 /nfs/dbraw/zinc/77/85/72/823778572.db2.gz BQSVIMYCSWAKMU-KRWDZBQOSA-N 1 0 380.536 4.081 20 0 GIADRO Cc1cc(C[N@@H+]2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)cc(C)c1O ZINC000574606713 823778723 /nfs/dbraw/zinc/77/87/23/823778723.db2.gz ODMOYGYMZCPDEM-IBGZPJMESA-N 1 0 378.472 4.150 20 0 GIADRO CC[C@H](CNC(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000413446283 823779676 /nfs/dbraw/zinc/77/96/76/823779676.db2.gz YQCIRUAEGCWHFW-SOLBZPMBSA-N 1 0 385.474 4.175 20 0 GIADRO CC[C@H](CNC(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000413446282 823779710 /nfs/dbraw/zinc/77/97/10/823779710.db2.gz YQCIRUAEGCWHFW-RYRKJORJSA-N 1 0 385.474 4.175 20 0 GIADRO COc1cccc(C2(CNC(=O)N3CCC[C@H](C[N@@H+]4CCCC[C@@H]4C)C3)CC2)c1 ZINC000461978419 823780009 /nfs/dbraw/zinc/78/00/09/823780009.db2.gz RQABKKMMQIOZMO-VQTJNVASSA-N 1 0 399.579 4.023 20 0 GIADRO N#Cc1ccc(Br)c(CN[C@H](C[NH+]2CCCC2)c2ccccc2)c1 ZINC000191820338 823781820 /nfs/dbraw/zinc/78/18/20/823781820.db2.gz AJCHMZSWOZQZPW-HXUWFJFHSA-N 1 0 384.321 4.247 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+][C@H](C)c2cc(C)sc2C)c1 ZINC000126082524 823782566 /nfs/dbraw/zinc/78/25/66/823782566.db2.gz LSWAPQGUWUPOKR-TZMCWYRMSA-N 1 0 376.522 4.450 20 0 GIADRO C[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccc(Cl)cc1Cl ZINC000574633594 823786839 /nfs/dbraw/zinc/78/68/39/823786839.db2.gz WPNQSVPKUQGFBD-HOCLYGCPSA-N 1 0 392.330 4.478 20 0 GIADRO Cc1nc(-c2ccc(NC(=O)c3ccccc3OCC[NH+](C)C)cc2)oc1C ZINC000064302732 823788586 /nfs/dbraw/zinc/78/85/86/823788586.db2.gz ZYHGAENQHVHADH-UHFFFAOYSA-N 1 0 379.460 4.151 20 0 GIADRO Cc1c(C[NH+]2CCC(CCc3ccccc3)CC2)c(=O)n(-c2ccccc2)n1C ZINC000126103786 823788596 /nfs/dbraw/zinc/78/85/96/823788596.db2.gz ZLRPYZHIZFYCPS-UHFFFAOYSA-N 1 0 389.543 4.329 20 0 GIADRO C[C@H]([NH2+]Cc1cc(=O)n2ccccc2n1)c1ccc(SCC(F)(F)F)cc1 ZINC000574644288 823789473 /nfs/dbraw/zinc/78/94/73/823789473.db2.gz ORHAEDFFYIDDAX-ZDUSSCGKSA-N 1 0 393.434 4.200 20 0 GIADRO CCCN(CC[NH+]1CCCCC1)C(=O)Nc1ccc(OCC(F)(F)F)cc1 ZINC000574645570 823789998 /nfs/dbraw/zinc/78/99/98/823789998.db2.gz YNRBPOONDGLWEO-UHFFFAOYSA-N 1 0 387.446 4.358 20 0 GIADRO CC[C@H]([NH2+][C@H](CCSC)c1nnc2ccccn21)c1ccc2c(c1)CCO2 ZINC000164252678 823790317 /nfs/dbraw/zinc/79/03/17/823790317.db2.gz OEUQMHGSQIOMHZ-ZWKOTPCHSA-N 1 0 382.533 4.199 20 0 GIADRO CCn1cc(C[NH+]2CCC(c3nc(-c4ccccc4OC)cs3)CC2)cn1 ZINC000191836005 823791281 /nfs/dbraw/zinc/79/12/81/823791281.db2.gz JKLIXMBCPJYUAM-UHFFFAOYSA-N 1 0 382.533 4.415 20 0 GIADRO CC[NH+]1CCC(CNC(=O)Nc2cc(Cl)ccc2N2CCCCC2)CC1 ZINC000574654338 823791614 /nfs/dbraw/zinc/79/16/14/823791614.db2.gz VHTGDEQJEHAOEJ-UHFFFAOYSA-N 1 0 378.948 4.184 20 0 GIADRO CCOc1cccc(C[NH2+][C@H](C)CC(=O)Nc2cc(Cl)ccc2OC)c1 ZINC000126113896 823791662 /nfs/dbraw/zinc/79/16/62/823791662.db2.gz NWEHQCDTGWMFCW-CQSZACIVSA-N 1 0 376.884 4.254 20 0 GIADRO CCC[N@H+](C)[C@@H](CNC(=O)N[C@@H](C)c1nccs1)c1ccc(Cl)cc1 ZINC000413531121 823792475 /nfs/dbraw/zinc/79/24/75/823792475.db2.gz LDNSEAREHLWJOU-BBRMVZONSA-N 1 0 380.945 4.240 20 0 GIADRO O=C(Nc1ccc2c(c1)C[NH2+]C2)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000574665077 823794582 /nfs/dbraw/zinc/79/45/82/823794582.db2.gz XDYYRDHZWQJCTM-UHFFFAOYSA-N 1 0 396.878 4.496 20 0 GIADRO CC(C)[NH+]1CCC(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)CC1 ZINC000462020590 823797313 /nfs/dbraw/zinc/79/73/13/823797313.db2.gz OEXNIYUPFDGOTH-UHFFFAOYSA-N 1 0 380.492 4.390 20 0 GIADRO CC[N@H+](CC(=O)NCc1ccc(COC)cc1)[C@@H](C)c1cc2ccccc2o1 ZINC000064349403 823798275 /nfs/dbraw/zinc/79/82/75/823798275.db2.gz ZTABJMKVTWYHRD-KRWDZBQOSA-N 1 0 380.488 4.279 20 0 GIADRO CCN(Cc1occc1C)C(=O)NC[C@@H](c1ccc(SC)cc1)[NH+](C)C ZINC000413573448 823798694 /nfs/dbraw/zinc/79/86/94/823798694.db2.gz SFNGUIAIWPMIRG-SFHVURJKSA-N 1 0 375.538 4.144 20 0 GIADRO COC(=O)c1ccc(C[NH2+][C@@H](C)Cc2cccc(C(F)(F)F)c2)nc1C1CC1 ZINC000574678233 823798748 /nfs/dbraw/zinc/79/87/48/823798748.db2.gz PMKUMNWMSVMICM-ZDUSSCGKSA-N 1 0 392.421 4.485 20 0 GIADRO C[C@@H](Oc1ccc(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1)c1ccccc1 ZINC000191867082 823799534 /nfs/dbraw/zinc/79/95/34/823799534.db2.gz CAEUDCPCNDVOEV-WOJBJXKFSA-N 1 0 378.516 4.385 20 0 GIADRO C[C@@H](Oc1ccc(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1)c1ccccc1 ZINC000191867108 823799556 /nfs/dbraw/zinc/79/95/56/823799556.db2.gz CAEUDCPCNDVOEV-UXHICEINSA-N 1 0 378.516 4.385 20 0 GIADRO CCC[NH+]1CCC(CNC(=O)c2cc(-c3ccccc3C(F)(F)F)on2)CC1 ZINC000462025909 823800213 /nfs/dbraw/zinc/80/02/13/823800213.db2.gz KKOQCUDPECGFMR-UHFFFAOYSA-N 1 0 395.425 4.212 20 0 GIADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)c1 ZINC000164406978 823800991 /nfs/dbraw/zinc/80/09/91/823800991.db2.gz ZVUYSHANQAMMHM-YCRPNKLZSA-N 1 0 390.524 4.316 20 0 GIADRO CC(C)(C)[C@H]1CCCN(C(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)CC1 ZINC000164450138 823803971 /nfs/dbraw/zinc/80/39/71/823803971.db2.gz LMHZYNWIUSTJFI-QFIPXVFZSA-N 1 0 386.580 4.179 20 0 GIADRO COc1cccc(CS[C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000064375375 823804337 /nfs/dbraw/zinc/80/43/37/823804337.db2.gz LKOSFBFRYYGCRH-GOSISDBHSA-N 1 0 398.572 4.098 20 0 GIADRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)c(OC)c1 ZINC000191888600 823804580 /nfs/dbraw/zinc/80/45/80/823804580.db2.gz MZSTXPCOMAZKDR-ILZDJORESA-N 1 0 382.504 4.032 20 0 GIADRO Cc1nc(-c2ccc(CC[NH2+][C@H](C)c3ccc(-n4cnnn4)cc3)s2)cs1 ZINC000164482424 823804863 /nfs/dbraw/zinc/80/48/63/823804863.db2.gz XFGUQPIZRYORFC-CYBMUJFWSA-N 1 0 396.545 4.049 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)c2cc3ccc(Br)cc3[nH]2)CC1 ZINC000064381817 823805615 /nfs/dbraw/zinc/80/56/15/823805615.db2.gz OGAFOCRLYYUZDR-UHFFFAOYSA-N 1 0 392.341 4.123 20 0 GIADRO CC(=O)Nc1ccc(CNc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)cc1 ZINC000126177475 823805844 /nfs/dbraw/zinc/80/58/44/823805844.db2.gz ZTPMXMOAMONEPH-UHFFFAOYSA-N 1 0 394.519 4.072 20 0 GIADRO CC[NH+]1CCC(NCc2ccc(-n3nc(C)cc3C)cc2C(F)(F)F)CC1 ZINC000462036654 823806096 /nfs/dbraw/zinc/80/60/96/823806096.db2.gz FRZPDIKKJSAJAQ-UHFFFAOYSA-N 1 0 380.458 4.082 20 0 GIADRO COC(=O)c1cccc(C[NH2+][C@H]2CCC[C@H]2c2ccccc2C(F)(F)F)n1 ZINC000574715436 823807142 /nfs/dbraw/zinc/80/71/42/823807142.db2.gz OCQYEEAVBLTVEG-RDJZCZTQSA-N 1 0 378.394 4.313 20 0 GIADRO C[C@H]1OCC[C@]12C[N@H+](Cc1ccc(OCc3ccc(F)cc3)cc1)C[C@@H](C)O2 ZINC000574716882 823807869 /nfs/dbraw/zinc/80/78/69/823807869.db2.gz XIHDPEJDRSJSHT-PNCHPQGNSA-N 1 0 385.479 4.173 20 0 GIADRO Cn1ncc2c1CCC[C@H]2[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000126187592 823808238 /nfs/dbraw/zinc/80/82/38/823808238.db2.gz BTOCQNGBSXNOCA-HSZRJFAPSA-N 1 0 397.526 4.499 20 0 GIADRO CCN1CCC([NH2+][C@@H](Cc2ccccc2C)c2ccc(OC)c(OC)c2)CC1 ZINC000462041572 823808785 /nfs/dbraw/zinc/80/87/85/823808785.db2.gz VMJIYKXDQIEYGJ-QFIPXVFZSA-N 1 0 382.548 4.370 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)Nc1ccccc1N1CCCCC1 ZINC000126202960 823811159 /nfs/dbraw/zinc/81/11/59/823811159.db2.gz VWQVGLMDLBJGNW-UHFFFAOYSA-N 1 0 398.526 4.412 20 0 GIADRO COc1ccc(-c2n[nH]cc2C(=O)NCC2([NH+]3CCCCC3)CCCCC2)cc1 ZINC000462048732 823811654 /nfs/dbraw/zinc/81/16/54/823811654.db2.gz LPHNTVCIEFQAHC-UHFFFAOYSA-N 1 0 396.535 4.004 20 0 GIADRO COc1cccc(C[N@@H+](Cc2cc(=O)oc3cc(C)ccc23)C[C@@H]2CCCO2)c1 ZINC000064400535 823812026 /nfs/dbraw/zinc/81/20/26/823812026.db2.gz WEQSHNRCFPMEAP-NRFANRHFSA-N 1 0 393.483 4.291 20 0 GIADRO COc1ccc(C[NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)c(OC)c1OC ZINC000164617736 823812700 /nfs/dbraw/zinc/81/27/00/823812700.db2.gz FNGIZYDOTWZFTI-MRXNPFEDSA-N 1 0 397.393 4.388 20 0 GIADRO CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H](C)O)cc1 ZINC000064410730 823813186 /nfs/dbraw/zinc/81/31/86/823813186.db2.gz SLXRJVFONKUHEK-GOSISDBHSA-N 1 0 379.504 4.045 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1sc(CC2CC2)nc1C ZINC000191928921 823813927 /nfs/dbraw/zinc/81/39/27/823813927.db2.gz FNMKEVGWNXIWLH-HXUWFJFHSA-N 1 0 397.588 4.388 20 0 GIADRO C[C@@H](CC1CCOCC1)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000126221949 823815212 /nfs/dbraw/zinc/81/52/12/823815212.db2.gz YJIBPPRAWSSXCD-SFHVURJKSA-N 1 0 376.504 4.229 20 0 GIADRO CC(C)n1cc([C@H](C)[NH2+][C@@H]2CCN(c3ccc(Br)cc3)C2)cn1 ZINC000164759230 823818652 /nfs/dbraw/zinc/81/86/52/823818652.db2.gz ZWEMERHIWAENPU-WMLDXEAASA-N 1 0 377.330 4.156 20 0 GIADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2sc(C(F)(F)F)nc2C)C1 ZINC000462067730 823818646 /nfs/dbraw/zinc/81/86/46/823818646.db2.gz OGYJEYWTHOANDB-GFCCVEGCSA-N 1 0 377.476 4.101 20 0 GIADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2sc(C(F)(F)F)nc2C)C1 ZINC000462067731 823818907 /nfs/dbraw/zinc/81/89/07/823818907.db2.gz OGYJEYWTHOANDB-LBPRGKRZSA-N 1 0 377.476 4.101 20 0 GIADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000413694717 823819248 /nfs/dbraw/zinc/81/92/48/823819248.db2.gz DZXLJVDLZLGWTQ-XFQXTVEOSA-N 1 0 377.960 4.348 20 0 GIADRO Cc1ncsc1C(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000064448289 823820543 /nfs/dbraw/zinc/82/05/43/823820543.db2.gz URHYGOYGMSXOPU-UHFFFAOYSA-N 1 0 397.466 4.207 20 0 GIADRO Cn1cc2c(n1)CCC[C@@H]2[NH2+]CC1(c2ccc(Br)s2)CCC1 ZINC000574764589 823820921 /nfs/dbraw/zinc/82/09/21/823820921.db2.gz YDXFXPBDGYLCQU-ZDUSSCGKSA-N 1 0 380.355 4.333 20 0 GIADRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)N[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000574766472 823821392 /nfs/dbraw/zinc/82/13/92/823821392.db2.gz QNPQSPAUEDTNMM-XZOQPEGZSA-N 1 0 391.515 4.452 20 0 GIADRO CN(C(=O)N[C@H]1CC[C@@H](c2ccc(Cl)cc2)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000413715827 823823958 /nfs/dbraw/zinc/82/39/58/823823958.db2.gz OFPRRGCLTZBOHR-SKPIHXQZSA-N 1 0 375.944 4.243 20 0 GIADRO C[C@@H](NC(=O)c1ccccc1NCc1ccccc1Cl)C1=CC[N@H+](C)CC1 ZINC000413720352 823825113 /nfs/dbraw/zinc/82/51/13/823825113.db2.gz OICXGARXCZIFFQ-MRXNPFEDSA-N 1 0 383.923 4.332 20 0 GIADRO Cc1ccc([C@H](CNC(=O)Nc2cc(-c3ccccc3C)nn2C)[NH+](C)C)cc1 ZINC000462089079 823825080 /nfs/dbraw/zinc/82/50/80/823825080.db2.gz PRSKYRCDRIKKKL-NRFANRHFSA-N 1 0 391.519 4.128 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNc1ncccc1C(=O)N1CCCCC1 ZINC000462090526 823825636 /nfs/dbraw/zinc/82/56/36/823825636.db2.gz DQKUTHQIPJWGOS-UHFFFAOYSA-N 1 0 380.536 4.160 20 0 GIADRO CC[C@H](CNC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)CC(F)(F)F ZINC000413723984 823825876 /nfs/dbraw/zinc/82/58/76/823825876.db2.gz CBOONTUDMGTZFY-UHOSZYNNSA-N 1 0 397.485 4.129 20 0 GIADRO CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2ccccc2)cc1 ZINC000164945301 823826011 /nfs/dbraw/zinc/82/60/11/823826011.db2.gz SGDUNLACFBRPFQ-QGZVFWFLSA-N 1 0 382.508 4.240 20 0 GIADRO COc1ccc2c(c1)C[N@@H+](CCC(=O)Nc1cc(C)on1)[C@@H](c1ccccc1)C2 ZINC000164945720 823826184 /nfs/dbraw/zinc/82/61/84/823826184.db2.gz NAHLZUYBTRJLLT-OAQYLSRUSA-N 1 0 391.471 4.120 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1cnn(-c2ccccc2Cl)c1 ZINC000064486574 823828643 /nfs/dbraw/zinc/82/86/43/823828643.db2.gz YWTNPLNDXFSUBP-UHFFFAOYSA-N 1 0 394.906 4.052 20 0 GIADRO C[C@H]([NH2+]C[C@@H]1CCCN(C)[C@@H]1c1cccs1)c1ccc([S@@](C)=O)cc1 ZINC000164988901 823828694 /nfs/dbraw/zinc/82/86/94/823828694.db2.gz RZTCXKZXVKATIC-URXKWEQPSA-N 1 0 376.591 4.219 20 0 GIADRO CC[C@@H]([NH2+]Cc1cccc(C(=O)NCc2ccco2)c1)c1cccc(OC)c1 ZINC000164988012 823828751 /nfs/dbraw/zinc/82/87/51/823828751.db2.gz CDMJJJMDMNKTCK-JOCHJYFZSA-N 1 0 378.472 4.459 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1cc(F)c(Cl)cc1F ZINC000126283830 823829124 /nfs/dbraw/zinc/82/91/24/823829124.db2.gz MHLLSTPNJOYNQN-UHFFFAOYSA-N 1 0 379.838 4.002 20 0 GIADRO O=C(NCc1ccco1)c1cccc(C[NH2+][C@@H]2CSCCc3ccccc32)c1 ZINC000165028631 823830404 /nfs/dbraw/zinc/83/04/04/823830404.db2.gz XBQAVRJDECQSGC-JOCHJYFZSA-N 1 0 392.524 4.330 20 0 GIADRO Cc1ccc2oc(C[NH2+]C[C@H](O)COc3cccc(C(F)(F)F)c3)cc2c1 ZINC000574798645 823830347 /nfs/dbraw/zinc/83/03/47/823830347.db2.gz WKXFDTAOUBWAAY-INIZCTEOSA-N 1 0 379.378 4.290 20 0 GIADRO CCc1nc2c(s1)[C@@H]([NH2+]Cc1cccc(C(=O)NCc3ccco3)c1)CCC2 ZINC000165012890 823830519 /nfs/dbraw/zinc/83/05/19/823830519.db2.gz NVHOPGJOJLJIGL-SFHVURJKSA-N 1 0 395.528 4.396 20 0 GIADRO C[C@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1cccc(Br)c1 ZINC000462110955 823830838 /nfs/dbraw/zinc/83/08/38/823830838.db2.gz HQCALMAQTGMNFR-YJBOKZPZSA-N 1 0 379.342 4.030 20 0 GIADRO CC[C@@H]([NH2+]Cc1cccc(C(=O)NCc2ccco2)c1)c1ccccc1OC ZINC000165032336 823831040 /nfs/dbraw/zinc/83/10/40/823831040.db2.gz OGQOZPDGPBWWGD-OAQYLSRUSA-N 1 0 378.472 4.459 20 0 GIADRO CC(C)c1scnc1C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000574800512 823831091 /nfs/dbraw/zinc/83/10/91/823831091.db2.gz TXEHEBFKCAFKHC-UHFFFAOYSA-N 1 0 375.563 4.110 20 0 GIADRO CC(=O)c1ccc(Oc2ccc(C(=O)N(C)[C@H]3CC[N@H+](C)[C@H](C)C3)cc2)cc1 ZINC000126292113 823831758 /nfs/dbraw/zinc/83/17/58/823831758.db2.gz HAMCKGCWGUGAST-UZLBHIALSA-N 1 0 380.488 4.236 20 0 GIADRO O=C1CCCCN1CCC[NH2+]C(Cc1ccccc1F)Cc1ccccc1F ZINC000462114230 823832119 /nfs/dbraw/zinc/83/21/19/823832119.db2.gz ACCRBEKQASBVGD-UHFFFAOYSA-N 1 0 386.486 4.111 20 0 GIADRO C[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)CC(F)(F)F ZINC000413750930 823833581 /nfs/dbraw/zinc/83/35/81/823833581.db2.gz SXFUQOSBAJHWKT-LZLYRXPVSA-N 1 0 385.474 4.269 20 0 GIADRO C[C@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)CC(F)(F)F ZINC000413751332 823833795 /nfs/dbraw/zinc/83/37/95/823833795.db2.gz UOWGHXDHCQRZJF-WDSOQIARSA-N 1 0 397.485 4.271 20 0 GIADRO CCn1c(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc2ccccc21 ZINC000064521093 823834917 /nfs/dbraw/zinc/83/49/17/823834917.db2.gz HRDOHBKIPGQFHX-KRWDZBQOSA-N 1 0 381.545 4.365 20 0 GIADRO Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]CC1(C(=O)N(C)C)CCCC1 ZINC000165118936 823835013 /nfs/dbraw/zinc/83/50/13/823835013.db2.gz TTZKIJNOCAFKMB-INIZCTEOSA-N 1 0 385.577 4.342 20 0 GIADRO C[C@@H](CC(=O)Nc1ccccc1CN1CCc2ccccc21)C1CC[NH2+]CC1 ZINC000165139801 823835934 /nfs/dbraw/zinc/83/59/34/823835934.db2.gz CFMYWDJVCUSBEE-SFHVURJKSA-N 1 0 377.532 4.214 20 0 GIADRO O=C(Cc1cccc2ccccc21)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000064522113 823836134 /nfs/dbraw/zinc/83/61/34/823836134.db2.gz LLBDEDIMDKNYPU-SFHVURJKSA-N 1 0 378.541 4.472 20 0 GIADRO C[C@@H](CNC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)CC(F)(F)F ZINC000413763666 823836756 /nfs/dbraw/zinc/83/67/56/823836756.db2.gz MVWQILNXDGZJAW-QGZVFWFLSA-N 1 0 397.485 4.273 20 0 GIADRO Cc1cc(Br)c(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)cc1Cl ZINC000574832915 823836815 /nfs/dbraw/zinc/83/68/15/823836815.db2.gz WJXAJVPGEUPQPV-BLLLJJGKSA-N 1 0 385.733 4.110 20 0 GIADRO Cc1c(NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)cnn1-c1ccccc1 ZINC000165162140 823837113 /nfs/dbraw/zinc/83/71/13/823837113.db2.gz AFNCELIRKCFDQG-UHFFFAOYSA-N 1 0 388.515 4.422 20 0 GIADRO O=C(C[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1)Nc1cccc2c1N=S=N2 ZINC000192031131 823837735 /nfs/dbraw/zinc/83/77/35/823837735.db2.gz XNZDLBQEEOMXKV-MAUKXSAKSA-N 1 0 388.880 4.125 20 0 GIADRO COc1ccc2oc([C@H](C)NC(=O)N(CC[NH+](C)C)Cc3ccco3)c(C)c2c1 ZINC000126316458 823837974 /nfs/dbraw/zinc/83/79/74/823837974.db2.gz GSFBMIHEPLZGLL-INIZCTEOSA-N 1 0 399.491 4.177 20 0 GIADRO CC(C)C(C[NH2+][C@H](CN1CCC(C(N)=O)CC1)c1ccc(Cl)cc1)C(C)C ZINC000574834906 823838000 /nfs/dbraw/zinc/83/80/00/823838000.db2.gz SRNFUBQWDOSRNM-OAQYLSRUSA-N 1 0 394.003 4.096 20 0 GIADRO CCCN(CC[NH+](CC)CC)C(=O)N[C@@H](C)c1nc2ccccc2n1C(F)F ZINC000462129492 823838530 /nfs/dbraw/zinc/83/85/30/823838530.db2.gz FTGSPWBPNLGAGO-HNNXBMFYSA-N 1 0 395.498 4.256 20 0 GIADRO CSc1cccc(NC(=O)C[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)cc2)c1 ZINC000192038183 823840326 /nfs/dbraw/zinc/84/03/26/823840326.db2.gz NRMULGUCKJNNTB-HKUYNNGSSA-N 1 0 376.909 4.120 20 0 GIADRO O=C(NC1CCCCC1)N1CCC([NH2+]Cc2cc(O)cc(C(F)(F)F)c2)CC1 ZINC000574846270 823841460 /nfs/dbraw/zinc/84/14/60/823841460.db2.gz GXXQWUATKDKJGA-UHFFFAOYSA-N 1 0 399.457 4.007 20 0 GIADRO CC[C@H](c1ccncc1)N(C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000126329845 823841420 /nfs/dbraw/zinc/84/14/20/823841420.db2.gz VSCJHTHRMJVKAE-WVUPVLJSSA-N 1 0 392.547 4.370 20 0 GIADRO Cc1cc(NC(=O)N2[C@H](C)C[C@H](c3ccccc3)[C@@H]2C)n(C2CC[NH+](C)CC2)n1 ZINC000574848993 823842129 /nfs/dbraw/zinc/84/21/29/823842129.db2.gz HMFMYOSVSYHWLN-LQWHRVPQSA-N 1 0 395.551 4.257 20 0 GIADRO C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3ccc(SC(F)F)cc3)CC2)C1 ZINC000064556902 823843186 /nfs/dbraw/zinc/84/31/86/823843186.db2.gz FSCQHRSFBIJWNL-HNNXBMFYSA-N 1 0 382.520 4.472 20 0 GIADRO COc1cc([C@H](C)[NH2+]Cc2ccc(-n3ccnc3C)nc2)ccc1OC(F)F ZINC000126343788 823844279 /nfs/dbraw/zinc/84/42/79/823844279.db2.gz ZEFPOTHHZMOHIZ-ZDUSSCGKSA-N 1 0 388.418 4.037 20 0 GIADRO Cc1cc(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)ccc1Oc1cccnc1 ZINC000165344692 823844500 /nfs/dbraw/zinc/84/45/00/823844500.db2.gz ZSCPAJXYQYTXJY-XLIONFOSSA-N 1 0 380.492 4.130 20 0 GIADRO C[C@H](NCc1ccnc(OCC(F)(F)F)c1)c1ccc(Br)cn1 ZINC000574857119 823844945 /nfs/dbraw/zinc/84/49/45/823844945.db2.gz WFSNKHQHACYREF-JTQLQIEISA-N 1 0 390.203 4.031 20 0 GIADRO C[C@H]([NH2+]C1CCN(Cc2ccc(F)cc2)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000165357818 823844975 /nfs/dbraw/zinc/84/49/75/823844975.db2.gz UYGILGWUERGVLX-KRWDZBQOSA-N 1 0 397.494 4.098 20 0 GIADRO Cc1nc(C(F)(F)F)sc1C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000462148294 823845090 /nfs/dbraw/zinc/84/50/90/823845090.db2.gz BJMNBYRCLMMIEB-ZDUSSCGKSA-N 1 0 397.466 4.207 20 0 GIADRO CN1CCCc2cc(NC(=O)NC[C@H](c3ccco3)[NH+]3CCCCC3)ccc21 ZINC000064562489 823845734 /nfs/dbraw/zinc/84/57/34/823845734.db2.gz ZZHJHXAZEWESEJ-HXUWFJFHSA-N 1 0 382.508 4.011 20 0 GIADRO CC1(C(=O)N2CCc3c4ccccc4[nH]c3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000165379156 823846412 /nfs/dbraw/zinc/84/64/12/823846412.db2.gz PYVWXDBRNLTDIT-UHFFFAOYSA-N 1 0 387.527 4.355 20 0 GIADRO CC(C)[C@@H](O)CC[NH2+][C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000165406771 823848328 /nfs/dbraw/zinc/84/83/28/823848328.db2.gz VIUDNHZSJJIMNX-OALUTQOASA-N 1 0 377.326 4.125 20 0 GIADRO COc1cccc(OC)c1Oc1ccc(C[NH2+][C@@H]2CC(C)(C)OC2(C)C)cn1 ZINC000165439516 823848764 /nfs/dbraw/zinc/84/87/64/823848764.db2.gz NWGNSHOFJIBUEI-GOSISDBHSA-N 1 0 386.492 4.327 20 0 GIADRO C[C@H]([NH2+]C[C@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1)c1cncs1 ZINC000165473067 823850512 /nfs/dbraw/zinc/85/05/12/823850512.db2.gz MDLZPEWKIOPDNA-WMLDXEAASA-N 1 0 379.957 4.299 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)c3c[nH]c4cc(F)ccc34)C2)s1 ZINC000574882603 823850737 /nfs/dbraw/zinc/85/07/37/823850737.db2.gz QZVLPQQEKGSVJC-HNNXBMFYSA-N 1 0 385.508 4.271 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21)c1ccc(NC(N)=O)cc1 ZINC000165488678 823850776 /nfs/dbraw/zinc/85/07/76/823850776.db2.gz UVIRCOIOEXXGCY-DIFFPNOSSA-N 1 0 379.382 4.414 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21)c1ccc(NC(N)=O)cc1 ZINC000165488285 823850913 /nfs/dbraw/zinc/85/09/13/823850913.db2.gz UVIRCOIOEXXGCY-APPDUMDISA-N 1 0 379.382 4.414 20 0 GIADRO C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)C(=O)Nc1ccc(F)cc1F ZINC000192076267 823852370 /nfs/dbraw/zinc/85/23/70/823852370.db2.gz UUMBGNBKHSLPAT-WQRJOSILSA-N 1 0 398.812 4.204 20 0 GIADRO CCCOc1c(Cl)cc(C[NH2+]CC(=O)Nc2ccc(F)cc2)cc1OCC ZINC000064614792 823852802 /nfs/dbraw/zinc/85/28/02/823852802.db2.gz ZHLHTDCYUZFWHN-UHFFFAOYSA-N 1 0 394.874 4.395 20 0 GIADRO Cc1cccc([C@H](O)C[N@@H+](Cc2ccccc2)C[C@@H]2CC3(CCC3)C(=O)O2)c1 ZINC000192077900 823852962 /nfs/dbraw/zinc/85/29/62/823852962.db2.gz XYMJTVVRCMTFIO-FCHUYYIVSA-N 1 0 379.500 4.016 20 0 GIADRO Cc1ccccc1NC(=O)CC[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000192079841 823853496 /nfs/dbraw/zinc/85/34/96/823853496.db2.gz ASBWRTKVMCDKFG-QUCCMNQESA-N 1 0 376.859 4.236 20 0 GIADRO C[C@@H]1C[C@H]([NH2+]Cc2ccccc2-c2ccc(Cn3ccnc3)cc2)CN1C1CC1 ZINC000165576043 823854124 /nfs/dbraw/zinc/85/41/24/823854124.db2.gz JKIHSAFYHPDJSF-XXBNENTESA-N 1 0 386.543 4.313 20 0 GIADRO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2-c2ccc(Cn3ccnc3)cc2)CN1C1CC1 ZINC000165576280 823854256 /nfs/dbraw/zinc/85/42/56/823854256.db2.gz JKIHSAFYHPDJSF-AUSIDOKSSA-N 1 0 386.543 4.313 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC000462175363 823854374 /nfs/dbraw/zinc/85/43/74/823854374.db2.gz KVLVCMAAFXKBEL-BTYIYWSLSA-N 1 0 381.907 4.001 20 0 GIADRO Cc1ccc(C)c(NC(=O)C[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000192082895 823854709 /nfs/dbraw/zinc/85/47/09/823854709.db2.gz OBMOTDYDNUEVSY-PXNSSMCTSA-N 1 0 376.859 4.154 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Cc1c[nH]c2cc(Cl)ccc12 ZINC000462178217 823856185 /nfs/dbraw/zinc/85/61/85/823856185.db2.gz URRLKMQHBKOICK-QVKFZJNVSA-N 1 0 381.907 4.001 20 0 GIADRO Cc1ccc(NC(=O)C[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c(C)c1 ZINC000192092206 823857715 /nfs/dbraw/zinc/85/77/15/823857715.db2.gz ZSJAITCONAXHRT-ICSRJNTNSA-N 1 0 376.859 4.154 20 0 GIADRO Cc1ccc(NC(=O)C[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c(C)c1 ZINC000192092194 823857866 /nfs/dbraw/zinc/85/78/66/823857866.db2.gz ZSJAITCONAXHRT-AZUAARDMSA-N 1 0 376.859 4.154 20 0 GIADRO COCCC[C@@H]([NH2+]Cc1ccc(OC)nc1)c1ccc(Br)cc1 ZINC000126402711 823858219 /nfs/dbraw/zinc/85/82/19/823858219.db2.gz KMOUEFJYVJEOJR-QGZVFWFLSA-N 1 0 379.298 4.110 20 0 GIADRO Cc1[nH+]c2c(Cl)cccc2c(N2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)c1C ZINC000574909886 823859707 /nfs/dbraw/zinc/85/97/07/823859707.db2.gz ZBZCTMWUDBDTNU-BEFAXECRSA-N 1 0 383.923 4.485 20 0 GIADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C[C@H](C)c2ccc(F)c(Br)c2)C1 ZINC000462186136 823860062 /nfs/dbraw/zinc/86/00/62/823860062.db2.gz FRJBITZBKZFBDR-GJZGRUSLSA-N 1 0 399.348 4.176 20 0 GIADRO Cc1cccc(NC(=O)C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c1C ZINC000192102888 823860526 /nfs/dbraw/zinc/86/05/26/823860526.db2.gz SARXCNNIRFJCOD-QUCCMNQESA-N 1 0 376.859 4.154 20 0 GIADRO Cc1c(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)sc2nccc(C)c12 ZINC000462188473 823860924 /nfs/dbraw/zinc/86/09/24/823860924.db2.gz IEESYSDIKMZYDY-YJBOKZPZSA-N 1 0 379.529 4.163 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]C2CCN(Cc3ccccc3F)CC2)cc1NC(C)=O ZINC000165738819 823861333 /nfs/dbraw/zinc/86/13/33/823861333.db2.gz LRDGUIOZSSHTQK-MRXNPFEDSA-N 1 0 399.510 4.108 20 0 GIADRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1sccc1C(C)C ZINC000064680698 823861674 /nfs/dbraw/zinc/86/16/74/823861674.db2.gz SFRXXENYMBKYAI-UHFFFAOYSA-N 1 0 384.549 4.237 20 0 GIADRO COc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cc(OC)c1C(C)C ZINC000462190303 823862026 /nfs/dbraw/zinc/86/20/26/823862026.db2.gz QEZACYZAJLKANM-FXAWDEMLSA-N 1 0 396.531 4.078 20 0 GIADRO Cc1cc(C(=O)CCC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)c(C)s1 ZINC000126426032 823863452 /nfs/dbraw/zinc/86/34/52/823863452.db2.gz KUXTYOZIBZPISX-UHFFFAOYSA-N 1 0 399.560 4.098 20 0 GIADRO Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c(Br)s1 ZINC000462194527 823863804 /nfs/dbraw/zinc/86/38/04/823863804.db2.gz ILEWXTGMTXNYOK-BLLLJJGKSA-N 1 0 393.350 4.069 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)[C@H](OC(C)(C)C)c2ccccc2)c(F)c1 ZINC000413902969 823863747 /nfs/dbraw/zinc/86/37/47/823863747.db2.gz PUDLEWRYTRKHAK-HXUWFJFHSA-N 1 0 388.483 4.261 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)c(F)c1 ZINC000413906421 823863988 /nfs/dbraw/zinc/86/39/88/823863988.db2.gz YMZCDQXAUPNOHF-STQMWFEESA-N 1 0 376.394 4.073 20 0 GIADRO CC[C@@H](CNC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000413905905 823864047 /nfs/dbraw/zinc/86/40/47/823864047.db2.gz JRDUYZYPKKAIAX-AEFFLSMTSA-N 1 0 385.474 4.129 20 0 GIADRO Cc1cccc(C(C)C)c1NC(=O)C[NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000192112534 823864343 /nfs/dbraw/zinc/86/43/43/823864343.db2.gz GIHKFKKOTLLHIH-UGKGYDQZSA-N 1 0 388.458 4.455 20 0 GIADRO CC[C@H](CNC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1)CC(F)(F)F ZINC000413909999 823864813 /nfs/dbraw/zinc/86/48/13/823864813.db2.gz NNJJVUQOAUSWFG-ULQDDVLXSA-N 1 0 377.495 4.261 20 0 GIADRO COc1ccccc1CN(C)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000574939624 823865165 /nfs/dbraw/zinc/86/51/65/823865165.db2.gz YJTQNOPPTPNWSI-SFHVURJKSA-N 1 0 381.520 4.062 20 0 GIADRO Cc1ccc(-c2nc(CC(=O)N[C@H](C)C[N@H+](C)Cc3ccccc3)cs2)cc1 ZINC000574939185 823865243 /nfs/dbraw/zinc/86/52/43/823865243.db2.gz FNOKNRXYJXYKKR-GOSISDBHSA-N 1 0 393.556 4.298 20 0 GIADRO CN1CC[C@H](NC(=O)Nc2cccnc2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000165895245 823865405 /nfs/dbraw/zinc/86/54/05/823865405.db2.gz SBLCSFXYPLRKFE-ZFWWWQNUSA-N 1 0 383.254 4.094 20 0 GIADRO C[C@H]1CCc2c(C(=O)N(C)CC3CCN(c4cc[nH+]cc4)CC3)csc2C1 ZINC000126432238 823865615 /nfs/dbraw/zinc/86/56/15/823865615.db2.gz PXESMMLHWCTZRB-INIZCTEOSA-N 1 0 383.561 4.257 20 0 GIADRO Cc1c(NC(=O)NCCC[NH+]2CCC(C)CC2)cnn1-c1ccc(Cl)cc1 ZINC000574941149 823865831 /nfs/dbraw/zinc/86/58/31/823865831.db2.gz MLPWLLMPUNNTSJ-UHFFFAOYSA-N 1 0 389.931 4.078 20 0 GIADRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1 ZINC000165925857 823866519 /nfs/dbraw/zinc/86/65/19/823866519.db2.gz IXKJMGKMIIHXNG-ZWKOTPCHSA-N 1 0 398.528 4.478 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)Cc1cccc(C(F)(F)F)c1 ZINC000126436609 823866967 /nfs/dbraw/zinc/86/69/67/823866967.db2.gz PWOYWQVNEFUWIX-UHFFFAOYSA-N 1 0 391.437 4.018 20 0 GIADRO COCC[N@H+](C)CC[C@@H](N[C@H](C)c1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000165990615 823868093 /nfs/dbraw/zinc/86/80/93/823868093.db2.gz IPVINDPFKSKHOW-DENIHFKCSA-N 1 0 398.547 4.208 20 0 GIADRO CCCOc1ccc(-c2noc([C@@]3(F)CC[N@@H+](C(C)(C)C)C3)n2)cc1OC ZINC000574946815 823868117 /nfs/dbraw/zinc/86/81/17/823868117.db2.gz ZRBUXRVCYNQWOM-HXUWFJFHSA-N 1 0 377.460 4.203 20 0 GIADRO Cc1nc(C(F)(F)F)sc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000462202270 823868350 /nfs/dbraw/zinc/86/83/50/823868350.db2.gz GLPIVFYYAITAGN-DOMZBBRYSA-N 1 0 397.466 4.253 20 0 GIADRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc(-c3ccccc3C(F)(F)F)on2)C1 ZINC000462203519 823868844 /nfs/dbraw/zinc/86/88/44/823868844.db2.gz PVLMGILXWRLCEI-CQSZACIVSA-N 1 0 395.425 4.164 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)c1cc(C(C)C)c(O)cc1C ZINC000413937112 823871299 /nfs/dbraw/zinc/87/12/99/823871299.db2.gz IGZFJYDWEBCBFJ-UHFFFAOYSA-N 1 0 386.492 4.025 20 0 GIADRO C[C@H](N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000166181859 823871896 /nfs/dbraw/zinc/87/18/96/823871896.db2.gz MKNXIUZNELWFBO-BULFRSBZSA-N 1 0 395.522 4.284 20 0 GIADRO CCOc1ccccc1OCCCC(=O)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000064726046 823872584 /nfs/dbraw/zinc/87/25/84/823872584.db2.gz GTBNHPMDUXHOFM-HSALFYBXSA-N 1 0 388.552 4.108 20 0 GIADRO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@H](C)c1cccc(Br)c1)CC2 ZINC000462209759 823873126 /nfs/dbraw/zinc/87/31/26/823873126.db2.gz KCFCPUQNZOIBBI-OLMNPRSZSA-N 1 0 379.342 4.026 20 0 GIADRO CCOc1ccc(C(C)=O)cc1C[NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192136037 823873720 /nfs/dbraw/zinc/87/37/20/823873720.db2.gz QIRKUFVMLWJEGT-TZIWHRDSSA-N 1 0 375.415 4.186 20 0 GIADRO Cc1cccc(C)c1NC(=O)CCC[N@@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000574963299 823873940 /nfs/dbraw/zinc/87/39/40/823873940.db2.gz YROGDNMDKDAQAQ-DEOSSOPVSA-N 1 0 378.516 4.492 20 0 GIADRO C[C@@H](Nc1ccc2ccccc2c1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000126463052 823874279 /nfs/dbraw/zinc/87/42/79/823874279.db2.gz SDZQQFQPZWTGTJ-LJQANCHMSA-N 1 0 387.527 4.421 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1cnc(-c2ccsc2)s1 ZINC000126464129 823874532 /nfs/dbraw/zinc/87/45/32/823874532.db2.gz NVTWGEFARIVFJH-UHFFFAOYSA-N 1 0 398.557 4.255 20 0 GIADRO C[C@H]([NH2+][C@@H]1C[C@H](C)N(C2CC2)C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000166310965 823875161 /nfs/dbraw/zinc/87/51/61/823875161.db2.gz YBILSCQURIRSKR-SDDRHHMPSA-N 1 0 376.394 4.165 20 0 GIADRO Cc1cc(C)c(CNC(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cn1 ZINC000574967118 823875553 /nfs/dbraw/zinc/87/55/53/823875553.db2.gz DLPZGSTXXFRENM-INIZCTEOSA-N 1 0 380.517 4.397 20 0 GIADRO COc1cc2[nH]c(CCC[NH2+][C@@H](C)c3ccc(OC)c(OC)c3)cc2c(OC)c1 ZINC000166351273 823875749 /nfs/dbraw/zinc/87/57/49/823875749.db2.gz GCXKQUDQTWZQCZ-HNNXBMFYSA-N 1 0 398.503 4.486 20 0 GIADRO O=C(c1ccc(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)cc1)N1CCCC1 ZINC000166347582 823875799 /nfs/dbraw/zinc/87/57/99/823875799.db2.gz IKDVGMOTRZJKPI-REWPJTCUSA-N 1 0 378.516 4.180 20 0 GIADRO Cc1cc(C)cc(NC(=O)[C@@H](C)[NH+]2CCC(c3c[nH]c4ncccc34)CC2)c1 ZINC000574969536 823876560 /nfs/dbraw/zinc/87/65/60/823876560.db2.gz RLQNNMRSDQJPQG-QGZVFWFLSA-N 1 0 376.504 4.386 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)C(C)(C)c1ccccc1Cl ZINC000413954670 823876828 /nfs/dbraw/zinc/87/68/28/823876828.db2.gz LBIAAPTYGDYXOR-UHFFFAOYSA-N 1 0 390.911 4.205 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)c2cc3cc(Br)ccc3o2)CC1 ZINC000064738948 823876893 /nfs/dbraw/zinc/87/68/93/823876893.db2.gz WWNSICFEAIYWIC-UHFFFAOYSA-N 1 0 393.325 4.388 20 0 GIADRO COc1ccc(C2(NC(=O)Nc3ccc4c(c3F)CC[NH2+]C4)CCCC2)cc1 ZINC000574973550 823877660 /nfs/dbraw/zinc/87/76/60/823877660.db2.gz ZFGHYXCHDFWDFY-UHFFFAOYSA-N 1 0 383.467 4.071 20 0 GIADRO C[C@H](CO[C@@H]1CCOC1)[NH2+][C@@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000166458567 823878020 /nfs/dbraw/zinc/87/80/20/823878020.db2.gz GCXCLQGLHBWYKX-CKEIUWERSA-N 1 0 376.497 4.110 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1ccc(SCC(F)F)cc1 ZINC000166465427 823878049 /nfs/dbraw/zinc/87/80/49/823878049.db2.gz CRKUYYWAZFPINC-GDBMZVCRSA-N 1 0 380.508 4.097 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+][C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000166601760 823879502 /nfs/dbraw/zinc/87/95/02/823879502.db2.gz QKZVPEVFLPAAIF-CRAIPNDOSA-N 1 0 381.549 4.172 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+][C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000166601870 823879563 /nfs/dbraw/zinc/87/95/63/823879563.db2.gz QKZVPEVFLPAAIF-MAUKXSAKSA-N 1 0 381.549 4.172 20 0 GIADRO O=C(NC[C@H](Cc1ccccc1)C(F)(F)F)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000462222084 823879498 /nfs/dbraw/zinc/87/94/98/823879498.db2.gz BRBHRQHRKPFGKW-RBUKOAKNSA-N 1 0 397.485 4.068 20 0 GIADRO O[C@H]1Cc2ccccc2[C@@H]1[NH2+][C@@H]1CCSc2ccc(Br)cc21 ZINC000166612615 823880036 /nfs/dbraw/zinc/88/00/36/823880036.db2.gz PEIKBSKQWARCNM-RYRKJORJSA-N 1 0 376.319 4.234 20 0 GIADRO O=C(Nc1nc(C2CC[NH2+]CC2)cs1)c1cccnc1Nc1ccccc1F ZINC000574992362 823880823 /nfs/dbraw/zinc/88/08/23/823880823.db2.gz GFYHWDIFVFTNNT-UHFFFAOYSA-N 1 0 397.479 4.140 20 0 GIADRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)CCOc1ccccc1F ZINC000126485110 823881076 /nfs/dbraw/zinc/88/10/76/823881076.db2.gz JEFBNKPSZIFQSV-UHFFFAOYSA-N 1 0 388.508 4.091 20 0 GIADRO COc1ccc(CCCCC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000126487592 823881608 /nfs/dbraw/zinc/88/16/08/823881608.db2.gz JHHJRWRNPJHFSL-UHFFFAOYSA-N 1 0 395.547 4.178 20 0 GIADRO C[C@H]1CCCN(c2cc(C(=O)N3CCC(CCC[NH+]4CCCC4)CC3)ccn2)C1 ZINC000462226629 823881722 /nfs/dbraw/zinc/88/17/22/823881722.db2.gz AQAPYKCMTHVGIL-FQEVSTJZSA-N 1 0 398.595 4.046 20 0 GIADRO Fc1ccc(-n2ccc(CC[NH2+][C@@H](C[C@@H]3CCOC3)c3ccccc3)n2)cc1 ZINC000166723473 823882015 /nfs/dbraw/zinc/88/20/15/823882015.db2.gz GBFXHARSACUEKR-MBSDFSHPSA-N 1 0 379.479 4.311 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1cc(Cl)cc2cccnc21 ZINC000126489692 823882021 /nfs/dbraw/zinc/88/20/21/823882021.db2.gz OSBVATIQIUBXLW-UHFFFAOYSA-N 1 0 394.906 4.272 20 0 GIADRO O=C(NC[C@@H](Cc1ccccc1)C(F)(F)F)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000462228603 823882696 /nfs/dbraw/zinc/88/26/96/823882696.db2.gz OPWRZNAHCXLGIZ-RTBURBONSA-N 1 0 397.485 4.068 20 0 GIADRO CCc1noc(CC)c1C[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000166929420 823884477 /nfs/dbraw/zinc/88/44/77/823884477.db2.gz YBVLBXMAYRCLFT-LBPRGKRZSA-N 1 0 394.313 4.069 20 0 GIADRO CC(C)[C@]1(CO)CCCN(CC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000575006122 823884965 /nfs/dbraw/zinc/88/49/65/823884965.db2.gz MLKMUSWCRZBYII-HSZRJFAPSA-N 1 0 382.504 4.148 20 0 GIADRO CC(=O)c1ccc(Oc2ccc(C(=O)N3CCC([NH+]4CCCC4)CC3)cc2)cc1 ZINC000126502245 823885211 /nfs/dbraw/zinc/88/52/11/823885211.db2.gz HSEYHOLXZKFOHG-UHFFFAOYSA-N 1 0 392.499 4.382 20 0 GIADRO CC[NH+](CC)CC1CCN(C(=O)NC[C@H](Cc2ccccc2)C(F)(F)F)CC1 ZINC000462232195 823885634 /nfs/dbraw/zinc/88/56/34/823885634.db2.gz HAXFMQSUVQMJBB-IBGZPJMESA-N 1 0 399.501 4.171 20 0 GIADRO Cc1ccccc1[C@H](OC[C@@H](O)C[N@@H+]1CCCO[C@H](C(C)C)C1)c1ccccc1 ZINC000575006494 823885547 /nfs/dbraw/zinc/88/55/47/823885547.db2.gz AJRSSJSPRDDVAA-ZKMPZPQNSA-N 1 0 397.559 4.209 20 0 GIADRO CSCc1cc(F)ccc1C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000167119456 823886301 /nfs/dbraw/zinc/88/63/01/823886301.db2.gz CEQVWUUSSZRQBZ-LBPRGKRZSA-N 1 0 385.501 4.082 20 0 GIADRO CCOCCOc1cc(C)ccc1C[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000167155069 823887719 /nfs/dbraw/zinc/88/77/19/823887719.db2.gz QNNXZBHQBNNEJW-IBGZPJMESA-N 1 0 396.531 4.388 20 0 GIADRO CCC(CC)[N@H+](CCOC)CC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000064806310 823888446 /nfs/dbraw/zinc/88/84/46/823888446.db2.gz ZMWXBMDZMRVHFS-UHFFFAOYSA-N 1 0 380.838 4.434 20 0 GIADRO FC(F)(F)CN1CC[C@@H](C[NH2+]Cc2ccc(Br)c(Cl)c2)C1 ZINC000192166055 823888655 /nfs/dbraw/zinc/88/86/55/823888655.db2.gz FREIUZDHMJNHHO-NSHDSACASA-N 1 0 385.655 4.076 20 0 GIADRO Cc1ccc(C[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)c(OC[C@H]2CCOC2)c1 ZINC000167194854 823888711 /nfs/dbraw/zinc/88/87/11/823888711.db2.gz FDFCJNUDTTUICE-ROUUACIJSA-N 1 0 383.488 4.032 20 0 GIADRO C[C@@H](C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)Cc1cccs1 ZINC000167442583 823892156 /nfs/dbraw/zinc/89/21/56/823892156.db2.gz ZYIMHWDEFDEGBF-OAHLLOKOSA-N 1 0 376.953 4.475 20 0 GIADRO COCc1cc([C@@H](C)[NH2+][C@@H]2CCN(c3c(F)cccc3F)C2)ccc1OC ZINC000167493603 823892460 /nfs/dbraw/zinc/89/24/60/823892460.db2.gz NFXYZCPEVAQMFN-RHSMWYFYSA-N 1 0 376.447 4.049 20 0 GIADRO FC(F)(F)CN1CCC([NH2+]Cc2ccc(-c3nc4ccccc4[nH]3)cc2)CC1 ZINC000167479475 823892664 /nfs/dbraw/zinc/89/26/64/823892664.db2.gz TTZYDUZNCIKMDL-UHFFFAOYSA-N 1 0 388.437 4.346 20 0 GIADRO COc1cc(CN2CC[C@H]([NH2+][C@H](CC(C)C)c3ccccn3)C2)cc(OC)c1 ZINC000167530223 823893213 /nfs/dbraw/zinc/89/32/13/823893213.db2.gz ZOHLPDJKFJWNHL-WMZHIEFXSA-N 1 0 383.536 4.050 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1cccc(COCC2CC2)c1 ZINC000462244955 823893834 /nfs/dbraw/zinc/89/38/34/823893834.db2.gz INRPLMVKQQXXQA-WZONZLPQSA-N 1 0 393.531 4.255 20 0 GIADRO CCCOc1cc(C)ccc1C[NH2+][C@@H](C)c1ccc(NS(=O)(=O)CC)cc1 ZINC000167678650 823894021 /nfs/dbraw/zinc/89/40/21/823894021.db2.gz HWIHVVGKTYNBNA-KRWDZBQOSA-N 1 0 390.549 4.396 20 0 GIADRO COCCOc1cc(C)ccc1C[NH2+][C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000167626768 823894033 /nfs/dbraw/zinc/89/40/33/823894033.db2.gz LRHYYTZYMIQKBT-INIZCTEOSA-N 1 0 382.504 4.101 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(C)(C)c2ccc(Br)c(C)c2)C1 ZINC000575032861 823894899 /nfs/dbraw/zinc/89/48/99/823894899.db2.gz DTPFHPAZQVYRQI-MRXNPFEDSA-N 1 0 395.385 4.225 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CCC(O)CC1)c1ccnc(Cl)c1 ZINC000167813189 823895893 /nfs/dbraw/zinc/89/58/93/823895893.db2.gz PZJAHMYXDOJSFN-KGLIPLIRSA-N 1 0 377.891 4.247 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1N1CCC(O)CC1)c1cc(F)cc(F)c1 ZINC000167810230 823895898 /nfs/dbraw/zinc/89/58/98/823895898.db2.gz VZMXZPAZLNUHFG-ZIAGYGMSSA-N 1 0 378.438 4.477 20 0 GIADRO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)N1CCCC[C@@H]1C(F)F ZINC000575036247 823896153 /nfs/dbraw/zinc/89/61/53/823896153.db2.gz ITGOWCVZUAMSLV-RBUKOAKNSA-N 1 0 379.495 4.118 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1ccc(-n2cccc2)c(F)c1 ZINC000126549866 823896292 /nfs/dbraw/zinc/89/62/92/823896292.db2.gz TXXXZNGZOOTFRF-UHFFFAOYSA-N 1 0 392.478 4.000 20 0 GIADRO Cc1nc2c(s1)[C@H]([NH2+][C@H](C)c1cc(F)ccc1N1CCC(O)CC1)CCC2 ZINC000167821767 823896534 /nfs/dbraw/zinc/89/65/34/823896534.db2.gz SGAWHUDMZOZTJD-FZKQIMNGSA-N 1 0 389.540 4.280 20 0 GIADRO Cc1ccn(-c2ccccc2C[NH2+]C[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)n1 ZINC000575040363 823897612 /nfs/dbraw/zinc/89/76/12/823897612.db2.gz VJBQCRAVCLAXIA-LAUBAEHRSA-N 1 0 399.922 4.062 20 0 GIADRO CC[C@@H]([NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1cnn(C)c1 ZINC000167899711 823897783 /nfs/dbraw/zinc/89/77/83/823897783.db2.gz YMTHGRYULGUBAP-LJQANCHMSA-N 1 0 381.351 4.432 20 0 GIADRO CC[C@@H]([NH2+][C@@H](C)c1ccc(OC)cc1C)c1ccccc1OCC(=O)N(C)C ZINC000414060181 823897841 /nfs/dbraw/zinc/89/78/41/823897841.db2.gz AQGWNLYGKGKDLC-LAUBAEHRSA-N 1 0 384.520 4.273 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)c1ccncc1C(F)(F)F ZINC000192196722 823898038 /nfs/dbraw/zinc/89/80/38/823898038.db2.gz NYHNDZLPFDUMPV-UHFFFAOYSA-N 1 0 391.437 4.406 20 0 GIADRO CS(=O)(=O)Cc1cccc(C[NH2+][C@@H]2CC[C@H](c3cccc(Cl)c3)C2)c1 ZINC000414062553 823899119 /nfs/dbraw/zinc/89/91/19/823899119.db2.gz BWJZRJHPLVREIC-AZUAARDMSA-N 1 0 377.937 4.311 20 0 GIADRO COC(=O)c1cnc([C@H](C)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)s1 ZINC000414065018 823899273 /nfs/dbraw/zinc/89/92/73/823899273.db2.gz OCEWHRRFAKLXNE-HOTGVXAUSA-N 1 0 387.549 4.012 20 0 GIADRO COc1cc([C@H](C)[NH2+]Cc2ccc(OC(F)F)c(F)c2)cc(OC)c1OC ZINC000168060113 823899621 /nfs/dbraw/zinc/89/96/21/823899621.db2.gz ILMAVXGLSNYNRD-NSHDSACASA-N 1 0 385.382 4.304 20 0 GIADRO Cc1ccc(C(=O)Nc2cccc(C[NH2+][C@H]3[C@H]4CCO[C@H]4C34CCC4)c2)cc1 ZINC000575048690 823899846 /nfs/dbraw/zinc/89/98/46/823899846.db2.gz RJCIXFOMVRHJEN-BHIFYINESA-N 1 0 376.500 4.295 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(OC(F)F)c(F)c1)c1ccc(N2CCCC2=O)cc1 ZINC000168173811 823900914 /nfs/dbraw/zinc/90/09/14/823900914.db2.gz GMYNOYNKIQGLPQ-CYBMUJFWSA-N 1 0 378.394 4.405 20 0 GIADRO CCNC(=O)c1ccc(C)c(N[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000575059464 823902204 /nfs/dbraw/zinc/90/22/04/823902204.db2.gz XWLAHOVCRNDHRN-NRFANRHFSA-N 1 0 377.532 4.354 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1)c1cccc(N2CCCC2)c1 ZINC000168363696 823902421 /nfs/dbraw/zinc/90/24/21/823902421.db2.gz YTCLUNRPLSVTLP-HOTGVXAUSA-N 1 0 390.524 4.241 20 0 GIADRO COC(=O)c1cnc([C@@H](C)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)s1 ZINC000414075792 823903091 /nfs/dbraw/zinc/90/30/91/823903091.db2.gz XVHZUWLRARZDFV-HZPDHXFCSA-N 1 0 387.549 4.155 20 0 GIADRO CN1CC[C@@H]([NH2+]Cc2nc(C(F)(F)F)cs2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000575067688 823903004 /nfs/dbraw/zinc/90/30/04/823903004.db2.gz CQASRNPQYZWMTK-DOMZBBRYSA-N 1 0 393.837 4.489 20 0 GIADRO C[C@@H]([NH2+]C1CCN(c2cccs2)CC1)c1ccc(OCc2nccn2C)cc1 ZINC000168422362 823903293 /nfs/dbraw/zinc/90/32/93/823903293.db2.gz RKNHTTGFMSTKFX-QGZVFWFLSA-N 1 0 396.560 4.380 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1cc(-c2ccccn2)ccc1Cl)c1ccccc1 ZINC000168504919 823903301 /nfs/dbraw/zinc/90/33/01/823903301.db2.gz LYEMMQBMBKQCHY-NRFANRHFSA-N 1 0 379.891 4.435 20 0 GIADRO COC(=O)c1cnc([C@@H](C)[NH2+]CC2(c3cccc(C(F)(F)F)c3)CC2)s1 ZINC000414079179 823903673 /nfs/dbraw/zinc/90/36/73/823903673.db2.gz RQPVOEVJZLQSFC-LLVKDONJSA-N 1 0 384.423 4.331 20 0 GIADRO C[C@@H](C(=O)Nc1cccc(CN(C)Cc2cscn2)c1)[C@@H]([NH3+])c1ccccc1 ZINC000168581869 823904188 /nfs/dbraw/zinc/90/41/88/823904188.db2.gz OZEAUVPLLAVRQB-IIBYNOLFSA-N 1 0 394.544 4.050 20 0 GIADRO CN(Cc1cscn1)Cc1cccc(NC(=O)CC[C@H]([NH3+])c2ccccc2)c1 ZINC000168580650 823904326 /nfs/dbraw/zinc/90/43/26/823904326.db2.gz CWZVRJYELDIXPP-NRFANRHFSA-N 1 0 394.544 4.194 20 0 GIADRO C[C@H]([NH2+][C@@H](c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1F)[C@H]1C[C@H]1C ZINC000414084114 823905002 /nfs/dbraw/zinc/90/50/02/823905002.db2.gz FALIBWNDVUCPQD-CFDPKNGZSA-N 1 0 379.472 4.092 20 0 GIADRO Cc1ccc(OC(F)F)c(C[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)c1 ZINC000168613251 823904899 /nfs/dbraw/zinc/90/48/99/823904899.db2.gz BJECFAVILZECLB-AWEZNQCLSA-N 1 0 376.403 4.404 20 0 GIADRO COc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc1OCc1cccnc1 ZINC000168984606 823907314 /nfs/dbraw/zinc/90/73/14/823907314.db2.gz VAWPHXVGDMAIIE-PMOQBDJRSA-N 1 0 394.515 4.107 20 0 GIADRO COc1c(Br)cc(C[NH2+][C@@H]2CC[C@H](F)C2)cc1Br ZINC000575089726 823908710 /nfs/dbraw/zinc/90/87/10/823908710.db2.gz WWIKEODLQFWZOT-VHSXEESVSA-N 1 0 381.083 4.200 20 0 GIADRO COc1ccc(C[NH2+][C@H](C)[C@H]2COc3ccccc32)cc1OCc1cccnc1 ZINC000169165078 823909255 /nfs/dbraw/zinc/90/92/55/823909255.db2.gz IXDCEOBMMGSMEL-DYESRHJHSA-N 1 0 390.483 4.324 20 0 GIADRO CC(C)c1ccc(C[NH2+]Cc2ccccc2CS(=O)(=O)N2CCCC2)cc1 ZINC000169200119 823909655 /nfs/dbraw/zinc/90/96/55/823909655.db2.gz RJFJDRQELBDPIJ-UHFFFAOYSA-N 1 0 386.561 4.025 20 0 GIADRO CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H](C)CCCO ZINC000126607318 823909855 /nfs/dbraw/zinc/90/98/55/823909855.db2.gz KDUYSEJNHGKJDS-AWEZNQCLSA-N 1 0 380.330 4.009 20 0 GIADRO CCc1nn(C)c(CC)c1C[NH2+]Cc1c(C)nn(Cc2ccccc2Cl)c1C ZINC000169274145 823910169 /nfs/dbraw/zinc/91/01/69/823910169.db2.gz JLUSSVLSYUJOLK-UHFFFAOYSA-N 1 0 399.970 4.350 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)c(C)c1 ZINC000414106483 823911454 /nfs/dbraw/zinc/91/14/54/823911454.db2.gz IMDFWPSPMAIYPW-QAPCUYQASA-N 1 0 380.467 4.067 20 0 GIADRO Cc1ccc2cccc(C(=O)Nc3ccc([C@H](C)N4CCOCC4)cc3)c2n1 ZINC000126614524 823911794 /nfs/dbraw/zinc/91/17/94/823911794.db2.gz NWQUPQGGYSROJT-KRWDZBQOSA-N 1 0 375.472 4.189 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC000462282546 823911784 /nfs/dbraw/zinc/91/17/84/823911784.db2.gz WMVGGBDHYDPOFI-FZKQIMNGSA-N 1 0 399.445 4.143 20 0 GIADRO COC(=O)c1cnc([C@H](C)[NH2+]CCc2nc(C3CCCCC3)cs2)s1 ZINC000414107555 823912044 /nfs/dbraw/zinc/91/20/44/823912044.db2.gz ZABBKOWIDHHJAZ-LBPRGKRZSA-N 1 0 379.551 4.327 20 0 GIADRO COc1ccccc1CCC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000575100592 823912382 /nfs/dbraw/zinc/91/23/82/823912382.db2.gz GDULZJBWZYKWLK-OAQYLSRUSA-N 1 0 380.532 4.046 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)COc1ccc(F)c(F)c1)c1csc(-c2ccccc2)n1 ZINC000414115594 823912724 /nfs/dbraw/zinc/91/27/24/823912724.db2.gz NEQVZFUQPNZKRC-ZFWWWQNUSA-N 1 0 390.455 4.179 20 0 GIADRO CC(C)Oc1ccccc1CC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000575100750 823913028 /nfs/dbraw/zinc/91/30/28/823913028.db2.gz NYABLUSPLYXMCL-QFIPXVFZSA-N 1 0 394.559 4.435 20 0 GIADRO C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000575103207 823913476 /nfs/dbraw/zinc/91/34/76/823913476.db2.gz IVULZRJHGBZZJZ-NEWSRXKRSA-N 1 0 397.485 4.271 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1ccn(-c2ccccc2Cl)n1 ZINC000064935206 823914712 /nfs/dbraw/zinc/91/47/12/823914712.db2.gz JOCUYAFTMISKAL-UHFFFAOYSA-N 1 0 394.906 4.416 20 0 GIADRO COc1ccc2oc(C[NH2+]C[C@H]3CCN(c4cc(OC)cc(OC)c4)C3)cc2c1 ZINC000126629707 823915199 /nfs/dbraw/zinc/91/51/99/823915199.db2.gz PIKDTFSNDBIUGQ-MRXNPFEDSA-N 1 0 396.487 4.075 20 0 GIADRO COCCOC1(C[NH2+][C@@H]2CCC[C@H](c3cccc(Cl)c3)C2)CCOCC1 ZINC000414136175 823917016 /nfs/dbraw/zinc/91/70/16/823917016.db2.gz IRIOYJKAYPKMGO-AZUAARDMSA-N 1 0 381.944 4.168 20 0 GIADRO CCCc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1 ZINC000462304211 823917339 /nfs/dbraw/zinc/91/73/39/823917339.db2.gz CZJAECQWCUNTRE-YLJYHZDGSA-N 1 0 392.590 4.062 20 0 GIADRO C[C@H](c1csc(-c2ccccc2)n1)[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000414138958 823917596 /nfs/dbraw/zinc/91/75/96/823917596.db2.gz KPPCIFLQZCVKGP-SOLBZPMBSA-N 1 0 377.513 4.152 20 0 GIADRO O=C(c1ccsc1)N1CCC[N@H+](CCOc2cccc3ccccc32)CC1 ZINC000064953683 823917622 /nfs/dbraw/zinc/91/76/22/823917622.db2.gz JLIPLOOHUQSBBI-UHFFFAOYSA-N 1 0 380.513 4.128 20 0 GIADRO O=C(Nc1nncs1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC000575127548 823919010 /nfs/dbraw/zinc/91/90/10/823919010.db2.gz CCWUESPVPIMPNK-ZWKOTPCHSA-N 1 0 398.919 4.046 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)Cc2ccccc2)C1)c1csc(-c2ccccc2)n1 ZINC000414156006 823919466 /nfs/dbraw/zinc/91/94/66/823919466.db2.gz UILOEGUKNAOYOH-YLJYHZDGSA-N 1 0 391.540 4.304 20 0 GIADRO C[C@@H]([NH2+]CCCc1nnc2n1CCCCC2)c1ccc(Br)cc1F ZINC000126648996 823919547 /nfs/dbraw/zinc/91/95/47/823919547.db2.gz AJGSFHPBUIJQTK-CYBMUJFWSA-N 1 0 395.320 4.190 20 0 GIADRO COCc1ccc([C@@H]2CCC[N@@H+]2CCCC(=O)Nc2ccccc2C(C)=O)o1 ZINC000575134142 823920175 /nfs/dbraw/zinc/92/01/75/823920175.db2.gz KMOGGUXWCWAQRP-FQEVSTJZSA-N 1 0 384.476 4.184 20 0 GIADRO O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)c1ccc2c(c1)CCCC(=O)N2 ZINC000170584929 823920973 /nfs/dbraw/zinc/92/09/73/823920973.db2.gz FXCDFZIJCOHIED-UHFFFAOYSA-N 1 0 377.488 4.200 20 0 GIADRO Cc1sc(NC(=O)[C@H](C)[NH+]2CCCCCC2)nc1-c1c[nH]c2ncccc12 ZINC000126658256 823921196 /nfs/dbraw/zinc/92/11/96/823921196.db2.gz MILHINJJMCEXEJ-ZDUSSCGKSA-N 1 0 383.521 4.198 20 0 GIADRO OC1(CC[NH2+][C@@H](c2ccccc2)c2cccc(Br)c2)CCOCC1 ZINC000414167947 823921752 /nfs/dbraw/zinc/92/17/52/823921752.db2.gz UAZNGVVFXJCKBQ-IBGZPJMESA-N 1 0 390.321 4.060 20 0 GIADRO C[N@@H+](Cc1csc(Br)c1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000064994096 823921974 /nfs/dbraw/zinc/92/19/74/823921974.db2.gz HUNAKKFTXISBGE-ZDUSSCGKSA-N 1 0 390.730 4.036 20 0 GIADRO O=C(CC[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1)NCc1ccccc1 ZINC000575143771 823922430 /nfs/dbraw/zinc/92/24/30/823922430.db2.gz ZPYFAFUAJLOLNA-UHFFFAOYSA-N 1 0 385.920 4.260 20 0 GIADRO COc1ccc([C@@H](C)N[C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c(F)c1 ZINC000126670127 823923167 /nfs/dbraw/zinc/92/31/67/823923167.db2.gz YHCBFUAHLVZCOV-HZPDHXFCSA-N 1 0 389.490 4.137 20 0 GIADRO COc1ccc(CCC[NH2+]Cc2ccc(F)c(Br)c2)cc1OC ZINC000065014403 823924218 /nfs/dbraw/zinc/92/42/18/823924218.db2.gz YKLNLDWWKWCZLL-UHFFFAOYSA-N 1 0 382.273 4.328 20 0 GIADRO COc1ccc([C@@H](CO)C[NH2+][C@H](Cc2cccnc2)c2cccc(Cl)c2)cc1 ZINC000414184639 823924195 /nfs/dbraw/zinc/92/41/95/823924195.db2.gz ODYRRULWEMVDAE-NFBKMPQASA-N 1 0 396.918 4.393 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccccn1)c1ccc(C(F)(F)F)cc1 ZINC000065014909 823924660 /nfs/dbraw/zinc/92/46/60/823924660.db2.gz SJUDDUUXNPKIBC-INIZCTEOSA-N 1 0 380.414 4.305 20 0 GIADRO CC(C)c1cccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000462323253 823924820 /nfs/dbraw/zinc/92/48/20/823924820.db2.gz HFPKHEGZOQISHG-FXAWDEMLSA-N 1 0 392.590 4.233 20 0 GIADRO O=C(Nc1cccc(Oc2ccccn2)c1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000575152532 823925310 /nfs/dbraw/zinc/92/53/10/823925310.db2.gz DOJMKZNNERIRLV-FXAWDEMLSA-N 1 0 380.492 4.260 20 0 GIADRO Cc1cc(Cl)ccc1S(=O)(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000462326231 823925312 /nfs/dbraw/zinc/92/53/12/823925312.db2.gz JHMSDPCOQYPGCT-RDTXWAMCSA-N 1 0 398.981 4.071 20 0 GIADRO C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@@H](C)c1ccn(C)n1 ZINC000414192757 823925404 /nfs/dbraw/zinc/92/54/04/823925404.db2.gz SYJLVMAIKNRGRJ-QWRGUYRKSA-N 1 0 388.821 4.160 20 0 GIADRO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@H](C)c1ccn(C)n1 ZINC000414192753 823925558 /nfs/dbraw/zinc/92/55/58/823925558.db2.gz SYJLVMAIKNRGRJ-GHMZBOCLSA-N 1 0 388.821 4.160 20 0 GIADRO CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2Cc3cccc(OC)c3C2)cc1 ZINC000414197493 823926371 /nfs/dbraw/zinc/92/63/71/823926371.db2.gz VWEPUTQJYLCHAR-OXJNMPFZSA-N 1 0 381.520 4.387 20 0 GIADRO CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+][C@H]2Cc3cccc(OC)c3C2)cc1 ZINC000414197497 823926705 /nfs/dbraw/zinc/92/67/05/823926705.db2.gz VWEPUTQJYLCHAR-UZLBHIALSA-N 1 0 381.520 4.387 20 0 GIADRO COc1cc([C@@H](C)[NH2+]C[C@@H]2[C@@H](c3ccccc3)C2(C)C)ccc1S(C)(=O)=O ZINC000414199077 823927083 /nfs/dbraw/zinc/92/70/83/823927083.db2.gz YWFSXQJDJGESPE-FQELHTAISA-N 1 0 387.545 4.189 20 0 GIADRO CC(C)[C@@H]([NH2+]C[C@H](CO)Cc1cc(F)cc(Br)c1)c1cccnc1 ZINC000414198907 823927316 /nfs/dbraw/zinc/92/73/16/823927316.db2.gz WQKXDFGRJLLNNV-DNVCBOLYSA-N 1 0 395.316 4.121 20 0 GIADRO CCN(CC)c1nc2sc(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)cc2s1 ZINC000065043898 823929681 /nfs/dbraw/zinc/92/96/81/823929681.db2.gz SFMQQDXACTWZHB-UHFFFAOYSA-N 1 0 394.610 4.243 20 0 GIADRO COC(=O)c1cc(C(C)(C)[NH2+]CC/C=C/c2ccc(Br)cc2)no1 ZINC000575166876 823929761 /nfs/dbraw/zinc/92/97/61/823929761.db2.gz WQZIPWRZXLHWMC-GQCTYLIASA-N 1 0 393.281 4.152 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)c2ccc3c(c2)COC3)c1 ZINC000414212282 823930290 /nfs/dbraw/zinc/93/02/90/823930290.db2.gz QSIKABHWMIQJTD-ZDUSSCGKSA-N 1 0 379.909 4.015 20 0 GIADRO COc1ccc2oc(C(=O)NCc3ccnc(N4CCCCC4)c3)c(C)c2c1 ZINC000126703440 823931151 /nfs/dbraw/zinc/93/11/51/823931151.db2.gz IFVLWPDBZKNYNM-UHFFFAOYSA-N 1 0 379.460 4.065 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H](C)c2ccc(F)cc2N(C)C)c1 ZINC000414216172 823931659 /nfs/dbraw/zinc/93/16/59/823931659.db2.gz YVCHMGFXDSAEQB-CYBMUJFWSA-N 1 0 398.931 4.190 20 0 GIADRO CC[C@H]([NH2+]CCc1nnc2n1CCCCC2)c1cccc(Br)c1 ZINC000126707260 823931993 /nfs/dbraw/zinc/93/19/93/823931993.db2.gz NJRNYKXPGXYATH-INIZCTEOSA-N 1 0 377.330 4.050 20 0 GIADRO CC[C@@H]([NH2+][C@H](CC)c1ccc(Cl)c(S(=O)(=O)NC)c1)c1ccccc1 ZINC000414225713 823933045 /nfs/dbraw/zinc/93/30/45/823933045.db2.gz SRSJSQUEDUJBKW-QZTJIDSGSA-N 1 0 380.941 4.440 20 0 GIADRO CCCCOc1ccc([C@@H](C)[NH2+]CCc2nnc3n2CCCCC3)cc1OC ZINC000126715322 823933703 /nfs/dbraw/zinc/93/37/03/823933703.db2.gz SKCPJCYMGWCTCJ-QGZVFWFLSA-N 1 0 386.540 4.085 20 0 GIADRO CO[C@](C)([C@@H](C)[NH2+]C1CCN(Cc2ccccc2Br)CC1)C1CC1 ZINC000414234370 823935219 /nfs/dbraw/zinc/93/52/19/823935219.db2.gz JDLBQQBAZPHQPY-FOIQADDNSA-N 1 0 395.385 4.207 20 0 GIADRO CC(=O)c1cc(NC(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1C ZINC000575193215 823935194 /nfs/dbraw/zinc/93/51/94/823935194.db2.gz AXTIJGYGWGYLMU-FXAWDEMLSA-N 1 0 379.504 4.230 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@H]2CCCOc3cc(Cl)ccc32)cn1 ZINC000414236630 823936028 /nfs/dbraw/zinc/93/60/28/823936028.db2.gz AMDFTTOALRFXFZ-ADLFWFRXSA-N 1 0 375.900 4.138 20 0 GIADRO Fc1cccc(F)c1C1(C[NH2+]C2CCN(CCC(F)(F)F)CC2)CCC1 ZINC000414240694 823937440 /nfs/dbraw/zinc/93/74/40/823937440.db2.gz NRNUNBQHVUGCAV-UHFFFAOYSA-N 1 0 376.413 4.393 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@@H]2CCCOc3c(Cl)cc(C)cc32)cn1 ZINC000414242104 823937876 /nfs/dbraw/zinc/93/78/76/823937876.db2.gz HDUNVVCENMAFPS-CWFSZBLJSA-N 1 0 389.927 4.446 20 0 GIADRO CN1CCN(C(=O)Nc2ccccc2CC(F)(F)F)[C@H](c2ccccc2)C1 ZINC000575203251 823937919 /nfs/dbraw/zinc/93/79/19/823937919.db2.gz SHMWLMFAAMKJMC-SFHVURJKSA-N 1 0 377.410 4.312 20 0 GIADRO CC[C@H]([NH2+]Cc1cccc(C(=O)OC)n1)c1cc(F)cc(Br)c1 ZINC000575206905 823939135 /nfs/dbraw/zinc/93/91/35/823939135.db2.gz NDXZLKNHBSGGLW-HNNXBMFYSA-N 1 0 381.245 4.011 20 0 GIADRO C[C@@H]1C[C@H](C[NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)[C@@H](C)O1 ZINC000414247124 823939945 /nfs/dbraw/zinc/93/99/45/823939945.db2.gz CJIZGFJZKFZEBJ-PHNROFDPSA-N 1 0 382.342 4.320 20 0 GIADRO FC(F)(F)c1ccnc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)n1 ZINC000414247719 823940359 /nfs/dbraw/zinc/94/03/59/823940359.db2.gz OUMGFWVYOBBNQQ-KURKYZTESA-N 1 0 390.453 4.028 20 0 GIADRO C[C@@H](O)C[N@H+](CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C1CCCCC1 ZINC000170691236 823940353 /nfs/dbraw/zinc/94/03/53/823940353.db2.gz MAXOBEFTCVUJMH-GFCCVEGCSA-N 1 0 392.849 4.313 20 0 GIADRO O[C@@H]1CCC[C@H]1[C@H]1CCC[N@@H+]1Cc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000575212572 823940466 /nfs/dbraw/zinc/94/04/66/823940466.db2.gz FDDVARRMCIAZHH-NUEKZKHPSA-N 1 0 382.291 4.169 20 0 GIADRO FC(F)COc1ccc(C[NH2+]CCc2cc(Cl)c3c(c2)OCCO3)cc1 ZINC000462362211 823941283 /nfs/dbraw/zinc/94/12/83/823941283.db2.gz AOZQGSVWDSBYGE-UHFFFAOYSA-N 1 0 383.822 4.087 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@H](C)c2cc(C)ccc2OC(F)F)cn1 ZINC000414252901 823941568 /nfs/dbraw/zinc/94/15/68/823941568.db2.gz SZAUYUYRGJBBOU-ZRGWGRIASA-N 1 0 379.451 4.241 20 0 GIADRO Brc1ccc2ncc(C[NH2+]CCOc3cccc4ccccc43)n2c1 ZINC000462363644 823941563 /nfs/dbraw/zinc/94/15/63/823941563.db2.gz ZDIXMPVIGRONMT-UHFFFAOYSA-N 1 0 396.288 4.419 20 0 GIADRO COc1ccc([C@@H](Cc2ccccc2)NC(=O)N(C)CCC[NH+]2CCCC2)cc1 ZINC000462363614 823941663 /nfs/dbraw/zinc/94/16/63/823941663.db2.gz UAPGAYMISGGYMD-HSZRJFAPSA-N 1 0 395.547 4.106 20 0 GIADRO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]C[C@@H]1C[C@@H](C)O[C@H]1C ZINC000414253938 823941922 /nfs/dbraw/zinc/94/19/22/823941922.db2.gz IOPXPURSEDLGGA-NDBYEHHHSA-N 1 0 392.849 4.479 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1ccn(-c2ccccc2Cl)n1 ZINC000065098899 823942293 /nfs/dbraw/zinc/94/22/93/823942293.db2.gz FWYUHRXBFQNRSQ-UHFFFAOYSA-N 1 0 394.906 4.052 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]CCC(C)(C)S(C)(=O)=O ZINC000414254469 823942424 /nfs/dbraw/zinc/94/24/24/823942424.db2.gz JXGQDIMMTIURDO-LBPRGKRZSA-N 1 0 384.542 4.122 20 0 GIADRO CC[C@@H]([NH2+]C[C@@H]1CCO[C@H]1c1cnn(CC)c1)c1ccccc1Br ZINC000414254299 823942542 /nfs/dbraw/zinc/94/25/42/823942542.db2.gz UOZXYNIVXOHTPF-GDIGMMSISA-N 1 0 392.341 4.484 20 0 GIADRO FC(F)COc1ccc(C[NH2+]CCOc2cccc(Br)c2)cc1 ZINC000462365961 823943163 /nfs/dbraw/zinc/94/31/63/823943163.db2.gz HLGQNDWXSGOXNM-UHFFFAOYSA-N 1 0 386.236 4.262 20 0 GIADRO C[N@@H+]1CCCN(C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)CC1 ZINC000170698928 823944682 /nfs/dbraw/zinc/94/46/82/823944682.db2.gz KQADVSBYCRZMQK-UHFFFAOYSA-N 1 0 399.347 4.210 20 0 GIADRO Cc1ccc(Br)c(C[NH2+]C2CCN(C(=O)CC(C)(C)C)CC2)c1 ZINC000414262445 823944933 /nfs/dbraw/zinc/94/49/33/823944933.db2.gz OMYHORSVIVJHPC-UHFFFAOYSA-N 1 0 381.358 4.274 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(C)nc1)c1ccc(C(F)(F)F)cc1 ZINC000065121762 823947475 /nfs/dbraw/zinc/94/74/75/823947475.db2.gz UIFAQNXVICJRKI-GOSISDBHSA-N 1 0 379.426 4.222 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)COC1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000065121640 823947694 /nfs/dbraw/zinc/94/76/94/823947694.db2.gz IPPFUYOOCZFKSB-GOSISDBHSA-N 1 0 386.458 4.164 20 0 GIADRO [NH3+][C@@H]1CCCN(C(=O)Nc2ccc(Cl)cc2-c2nc(C3CCCC3)no2)C1 ZINC000575233702 823948034 /nfs/dbraw/zinc/94/80/34/823948034.db2.gz XQQKJHZDCSXOAR-CQSZACIVSA-N 1 0 389.887 4.003 20 0 GIADRO C[C@H]([NH2+]C(C)(C)CNC(=O)N1CC(C)(C)[C@@H]1c1cccnc1)c1ccccc1 ZINC000575235735 823948571 /nfs/dbraw/zinc/94/85/71/823948571.db2.gz UTNIAWQHOKDDLS-PXNSSMCTSA-N 1 0 380.536 4.304 20 0 GIADRO C[C@@H](C[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1)CC(F)(F)F ZINC000414279777 823950651 /nfs/dbraw/zinc/95/06/51/823950651.db2.gz JWPDSCDDJOWEFI-GHMZBOCLSA-N 1 0 381.236 4.344 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NCc2ccc(S(C)(=O)=O)s2)cc1 ZINC000414307493 823955244 /nfs/dbraw/zinc/95/52/44/823955244.db2.gz YSKQXTVOQWIPRW-OAHLLOKOSA-N 1 0 378.563 4.138 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)c3ccccc3COC3CCOCC3)ccc21 ZINC000575332848 823957282 /nfs/dbraw/zinc/95/72/82/823957282.db2.gz NBBFVOQGLMLEGR-HSZRJFAPSA-N 1 0 394.515 4.183 20 0 GIADRO c1nc(CNC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)sc1-c1ccccc1 ZINC000192355897 823957702 /nfs/dbraw/zinc/95/77/02/823957702.db2.gz HTYZZIKQXKBZGK-OAQYLSRUSA-N 1 0 393.556 4.191 20 0 GIADRO CC(C)Sc1ccc([C@@H](C)[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)cc1 ZINC000414321148 823957769 /nfs/dbraw/zinc/95/77/69/823957769.db2.gz DQSPJXFWTABNBE-CYBMUJFWSA-N 1 0 398.981 4.339 20 0 GIADRO FC(F)(F)c1ccc(-c2nc(CN3CC[C@@H]([NH+]4CCCC4)C3)cs2)cc1 ZINC000170742098 823958453 /nfs/dbraw/zinc/95/84/53/823958453.db2.gz IPHFGHREOMDDOS-QGZVFWFLSA-N 1 0 381.467 4.499 20 0 GIADRO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC(C)(C)c1cccnc1 ZINC000414329099 823959329 /nfs/dbraw/zinc/95/93/29/823959329.db2.gz HYJVINYUDXNXOG-CQSZACIVSA-N 1 0 379.426 4.385 20 0 GIADRO COC[C@H]([NH2+]Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1)C(C)C ZINC000575345465 823959366 /nfs/dbraw/zinc/95/93/66/823959366.db2.gz DXWAGPLOOZNYQH-HNNXBMFYSA-N 1 0 391.924 4.478 20 0 GIADRO C[N@@H+]1CCC[C@@H]1CCSc1nnc(COc2ccccc2)n1Cc1ccco1 ZINC000126823167 823959503 /nfs/dbraw/zinc/95/95/03/823959503.db2.gz BHQRFRHLWVPVMO-QGZVFWFLSA-N 1 0 398.532 4.075 20 0 GIADRO CCc1ncc(C[NH2+][C@@H]2c3cc(Br)ccc3SC[C@@H]2C)cn1 ZINC000414329763 823959898 /nfs/dbraw/zinc/95/98/98/823959898.db2.gz INGFWRBWXDSTRO-GTNSWQLSSA-N 1 0 378.339 4.374 20 0 GIADRO C[C@H]([NH2+]CC1(CS(C)(=O)=O)CCC1)c1cccc(OCc2ccccc2)c1 ZINC000414330681 823959993 /nfs/dbraw/zinc/95/99/93/823959993.db2.gz QCOWNUQFQOHYPE-SFHVURJKSA-N 1 0 387.545 4.131 20 0 GIADRO C[C@H](NC(=O)[C@H](C)[NH2+][C@@H]1CCCc2c(O)cccc21)c1cc2ccccc2o1 ZINC000192365299 823960103 /nfs/dbraw/zinc/96/01/03/823960103.db2.gz BOYKXAPQASGLPP-YZVOILCLSA-N 1 0 378.472 4.371 20 0 GIADRO NC(=O)N1CCC([NH2+]Cc2oc3ccc(Cl)cc3c2-c2ccccc2)CC1 ZINC000414333726 823960409 /nfs/dbraw/zinc/96/04/09/823960409.db2.gz SWYFSZZGHSSODY-UHFFFAOYSA-N 1 0 383.879 4.386 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCN(c2ccc(F)cc2)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000414338320 823960694 /nfs/dbraw/zinc/96/06/94/823960694.db2.gz FBKSNJHOJJYBPI-QRWLVFNGSA-N 1 0 382.483 4.039 20 0 GIADRO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CC(C)(C)c1cccnc1 ZINC000414337510 823960786 /nfs/dbraw/zinc/96/07/86/823960786.db2.gz QMPJQZUTYOIJPH-CQSZACIVSA-N 1 0 395.425 4.265 20 0 GIADRO CSc1ccc([C@H](CNC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2F)[NH+](C)C)cc1 ZINC000575355349 823960997 /nfs/dbraw/zinc/96/09/97/823960997.db2.gz YBMVNWVBVGTDCR-GGPKGHCWSA-N 1 0 390.499 4.209 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000126828947 823961279 /nfs/dbraw/zinc/96/12/79/823961279.db2.gz GWSZMDQSVUJHHQ-MSOLQXFVSA-N 1 0 383.458 4.125 20 0 GIADRO Cc1cc([C@@H](C)[NH2+]C2CCN(Cc3cccc(Br)c3)CC2)no1 ZINC000414345092 823961616 /nfs/dbraw/zinc/96/16/16/823961616.db2.gz DCYXWMOISBSJOL-CQSZACIVSA-N 1 0 378.314 4.061 20 0 GIADRO C[C@@H]([NH2+]C[C@H]1CCCN(Cc2cccs2)C1)c1cccc(N2CCOC2=O)c1 ZINC000126830898 823961636 /nfs/dbraw/zinc/96/16/36/823961636.db2.gz KVHUEBYFLGQLOI-QZTJIDSGSA-N 1 0 399.560 4.268 20 0 GIADRO C[C@@H]([NH2+]CC(C)(C)c1cccnc1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000414344171 823961960 /nfs/dbraw/zinc/96/19/60/823961960.db2.gz YZZFTEXIVNWYQW-QGZVFWFLSA-N 1 0 386.561 4.426 20 0 GIADRO CC(C)([NH2+]Cc1ccc(S(C)(=O)=O)s1)c1cccc(C(F)(F)F)c1 ZINC000414346985 823962412 /nfs/dbraw/zinc/96/24/12/823962412.db2.gz WCOBDTYWKNUZLU-UHFFFAOYSA-N 1 0 377.453 4.195 20 0 GIADRO C[C@@H](CC1CCOCC1)[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000414349984 823962864 /nfs/dbraw/zinc/96/28/64/823962864.db2.gz KRMKPTJNBSBXCB-INIZCTEOSA-N 1 0 395.385 4.208 20 0 GIADRO COc1sc(C[NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)cc1Br ZINC000192374388 823964192 /nfs/dbraw/zinc/96/41/92/823964192.db2.gz DVUWBYSEOAIGHD-BBRMVZONSA-N 1 0 382.323 4.387 20 0 GIADRO CCC(CC)(CNCc1ccc(S(C)(=O)=O)s1)[NH2+][C@H](C)c1ccccc1 ZINC000414357696 823964471 /nfs/dbraw/zinc/96/44/71/823964471.db2.gz JYSIKLBBUHWDKX-MRXNPFEDSA-N 1 0 394.606 4.151 20 0 GIADRO Cc1cc(C[NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)ccc1C(F)(F)F ZINC000414360430 823964837 /nfs/dbraw/zinc/96/48/37/823964837.db2.gz AHAHGOFQMTVDHR-SFHVURJKSA-N 1 0 376.422 4.152 20 0 GIADRO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000192377435 823964897 /nfs/dbraw/zinc/96/48/97/823964897.db2.gz MZGLNHANCYEUCX-CVDCTZTESA-N 1 0 379.479 4.496 20 0 GIADRO CN(C(=O)CCc1c[nH]c2ccccc12)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000126845900 823964942 /nfs/dbraw/zinc/96/49/42/823964942.db2.gz AIZCYFZPNXFPKL-UHFFFAOYSA-N 1 0 391.515 4.238 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(Br)cc2C)cc1F ZINC000170765090 823965093 /nfs/dbraw/zinc/96/50/93/823965093.db2.gz VALOZSJVRMCTSS-GFCCVEGCSA-N 1 0 395.272 4.195 20 0 GIADRO C[C@@H]1C[C@@H]1[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)c1ccc(Cl)cc1 ZINC000414363327 823965983 /nfs/dbraw/zinc/96/59/83/823965983.db2.gz XQAOBISFHCBKMC-DJCROIMJSA-N 1 0 399.343 4.128 20 0 GIADRO O=C([C@H]1C[C@H]1c1cccc(C(F)(F)F)c1)N1CCC([NH2+]C2CCCC2)CC1 ZINC000126851121 823966152 /nfs/dbraw/zinc/96/61/52/823966152.db2.gz BOOLOJHRYRLPGM-OALUTQOASA-N 1 0 380.454 4.332 20 0 GIADRO O=C(CC[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1)N[C@H](c1cccs1)c1ccccc1 ZINC000575398417 823966414 /nfs/dbraw/zinc/96/64/14/823966414.db2.gz LYQQKSAOWMZHMU-MZKRTTBSSA-N 1 0 398.572 4.235 20 0 GIADRO C[C@@H]([NH2+]C[C@@H]1CCCN(Cc2cccs2)C1)c1ccc(-n2ccnc2)cc1 ZINC000126852881 823966743 /nfs/dbraw/zinc/96/67/43/823966743.db2.gz AWXDWRIZQIDATI-MOPGFXCFSA-N 1 0 380.561 4.497 20 0 GIADRO CCOc1ccccc1[C@H](CC(C)C)[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000414367649 823967052 /nfs/dbraw/zinc/96/70/52/823967052.db2.gz RZNOBLPBYIUVQD-KRWDZBQOSA-N 1 0 381.563 4.427 20 0 GIADRO Cc1ccc2[nH+]cc(C(=O)[O-])c(NC[C@H]3CCC[N@@H+](C)[C@@H]3c3cccs3)c2c1 ZINC000575408925 823967441 /nfs/dbraw/zinc/96/74/41/823967441.db2.gz APIPSBUJOYIASS-VFNWGFHPSA-N 1 0 395.528 4.220 20 0 GIADRO CN(C(=O)c1coc(-c2ccccc2)n1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000126857585 823967685 /nfs/dbraw/zinc/96/76/85/823967685.db2.gz ONOJDJYCSZGHJZ-UHFFFAOYSA-N 1 0 391.471 4.093 20 0 GIADRO CSc1ccsc1C(=O)N(C)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000126858237 823967940 /nfs/dbraw/zinc/96/79/40/823967940.db2.gz PGNHYXORYYMAID-UHFFFAOYSA-N 1 0 376.547 4.221 20 0 GIADRO COc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ncc(C(C)C)s3)CC2)cc1 ZINC000192393047 823969012 /nfs/dbraw/zinc/96/90/12/823969012.db2.gz SIRPOZGXOCEMCQ-UHFFFAOYSA-N 1 0 388.537 4.015 20 0 GIADRO NS(=O)(=O)c1ccc(C[NH2+][C@H](c2ccccc2F)C2CCCC2)cc1Cl ZINC000414377443 823969277 /nfs/dbraw/zinc/96/92/77/823969277.db2.gz JCCUWZMQTIINNX-IBGZPJMESA-N 1 0 396.915 4.148 20 0 GIADRO CCc1nc(CN2CCC(C[NH2+][C@@H](c3ncc[nH]3)c3ccccc3)CC2)cs1 ZINC000126864807 823969660 /nfs/dbraw/zinc/96/96/60/823969660.db2.gz DMNIUDFURANPAZ-OAQYLSRUSA-N 1 0 395.576 4.020 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(Cl)cc(F)c2Br)C1 ZINC000575435269 823970652 /nfs/dbraw/zinc/97/06/52/823970652.db2.gz IUUOJQWAQLVFHX-LLVKDONJSA-N 1 0 391.712 4.046 20 0 GIADRO Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C1(c2ccc(F)cc2)CCOCC1 ZINC000414392189 823971585 /nfs/dbraw/zinc/97/15/85/823971585.db2.gz MKPLCTAXMSEBIK-UHFFFAOYSA-N 1 0 383.442 4.254 20 0 GIADRO C[C@@H](NC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1)c1ccccc1Cl ZINC000126904628 823977404 /nfs/dbraw/zinc/97/74/04/823977404.db2.gz BWEPMDOOCXRTHV-MRXNPFEDSA-N 1 0 386.923 4.035 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2cn(-c3cccc(F)c3)nc2C)C1)CC(F)(F)F ZINC000414416716 823977692 /nfs/dbraw/zinc/97/76/92/823977692.db2.gz WIKVCOOBBBAVJP-MRXNPFEDSA-N 1 0 398.448 4.026 20 0 GIADRO O=C([C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000170812177 823978069 /nfs/dbraw/zinc/97/80/69/823978069.db2.gz VPYIMNFHQPEEHI-IRXDYDNUSA-N 1 0 381.347 4.431 20 0 GIADRO O[C@H](CO[C@H]1CCCc2ccccc21)C[NH+]1CCC(OC2CCCCC2)CC1 ZINC000126915730 823979890 /nfs/dbraw/zinc/97/98/90/823979890.db2.gz KUZYQTPOVNWYJB-RDPSFJRHSA-N 1 0 387.564 4.255 20 0 GIADRO COc1ccc([C@H](C)N(C)C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000126918708 823980295 /nfs/dbraw/zinc/98/02/95/823980295.db2.gz PIDJFHJSDKXBSE-LPHOPBHVSA-N 1 0 387.549 4.296 20 0 GIADRO COc1ccc(C)cc1NC(=O)C[N@H+](CC(C)C)[C@@H]1CCCc2cccnc21 ZINC000126926003 823982353 /nfs/dbraw/zinc/98/23/53/823982353.db2.gz MMENYEKTYSACCG-HXUWFJFHSA-N 1 0 381.520 4.373 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCC1)Nc1cc(C(F)(F)F)ccn1 ZINC000192422582 823984779 /nfs/dbraw/zinc/98/47/79/823984779.db2.gz QGFWMSUQIQYCTD-UHFFFAOYSA-N 1 0 378.398 4.018 20 0 GIADRO Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000414435083 823985071 /nfs/dbraw/zinc/98/50/71/823985071.db2.gz RIVWTJXTPXBXAA-NHCUHLMSSA-N 1 0 387.405 4.218 20 0 GIADRO CS[C@H](C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1)c1ccccc1 ZINC000575754038 823986462 /nfs/dbraw/zinc/98/64/62/823986462.db2.gz GRSUJPOEEAAKBO-PXNSSMCTSA-N 1 0 388.602 4.441 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000126946099 823986909 /nfs/dbraw/zinc/98/69/09/823986909.db2.gz PGTJBYVBHSJTNZ-DLBZAZTESA-N 1 0 383.458 4.125 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3csc(-c4cnccn4)n3)cc2)C1 ZINC000170841883 823987947 /nfs/dbraw/zinc/98/79/47/823987947.db2.gz GTOVIFDWUPWHIG-OAHLLOKOSA-N 1 0 393.516 4.084 20 0 GIADRO Cc1cc(NS(=O)(=O)Cc2cccc(C(F)(F)F)c2)ccc1C[NH+](C)C ZINC000414459249 823989173 /nfs/dbraw/zinc/98/91/73/823989173.db2.gz ARYOXMWPGWYZID-UHFFFAOYSA-N 1 0 386.439 4.017 20 0 GIADRO CSc1ccccc1C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC000170849924 823990069 /nfs/dbraw/zinc/99/00/69/823990069.db2.gz SBVHWJMDQQLRLQ-UHFFFAOYSA-N 1 0 387.524 4.330 20 0 GIADRO CCOc1c(OC)cc(C[NH2+][C@H]2CCCc3nc(CC)sc32)cc1OC ZINC000126962230 823990551 /nfs/dbraw/zinc/99/05/51/823990551.db2.gz QAZVLCRBJQDBJB-AWEZNQCLSA-N 1 0 376.522 4.289 20 0 GIADRO O[C@@H](C[NH2+]C[C@@H](c1c[nH]c2ccccc21)c1ccccc1)COc1ccccc1 ZINC000575776286 823992102 /nfs/dbraw/zinc/99/21/02/823992102.db2.gz XGTPQKKKKSZNFY-NZQKXSOJSA-N 1 0 386.495 4.329 20 0 GIADRO Cc1ccc(Oc2ccccc2CC[NH2+]Cc2ccc(C(=O)N(C)C)[nH]2)cc1 ZINC000414479686 823992106 /nfs/dbraw/zinc/99/21/06/823992106.db2.gz HWXUUXLLYSBALP-UHFFFAOYSA-N 1 0 377.488 4.150 20 0 GIADRO Cc1nc(COc2ccc(C[N@@H+]3C[C@H](O)C[C@@H]3c3ccccc3)cc2)cs1 ZINC000414489171 823994245 /nfs/dbraw/zinc/99/42/45/823994245.db2.gz SMZWDYNZADEAKK-IFMALSPDSA-N 1 0 380.513 4.338 20 0 GIADRO CSc1ccc([C@@H](CN[C@H](c2ncc[nH]2)c2ccc(F)cc2)[NH+](C)C)cc1 ZINC000575784807 823994663 /nfs/dbraw/zinc/99/46/63/823994663.db2.gz YDWVSDPCZGVOMI-UXHICEINSA-N 1 0 384.524 4.253 20 0 GIADRO COc1cccc2c1CC[C@H]([NH2+]CC1(N[C@@H](C)c3ccccc3)CCOCC1)C2 ZINC000192443156 823995157 /nfs/dbraw/zinc/99/51/57/823995157.db2.gz DYODYQOABSQLIB-UGKGYDQZSA-N 1 0 394.559 4.042 20 0 GIADRO COc1cc(C[N@H+](C[C@H]2CCCO2)C2CCCC2)cc(OC)c1OCC(F)F ZINC000575786059 823995207 /nfs/dbraw/zinc/99/52/07/823995207.db2.gz DIFOTFFFOGFYLC-QGZVFWFLSA-N 1 0 399.478 4.271 20 0 GIADRO COc1ccc(C(=O)Nc2cccc(C[NH2+][C@H](C)[C@](C)(OC)C3CC3)c2)cc1 ZINC000414497431 823995408 /nfs/dbraw/zinc/99/54/08/823995408.db2.gz FUKWNEYARPBLLN-MWTRTKDXSA-N 1 0 382.504 4.241 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]Cc2cccc(OC(F)F)c2)c1 ZINC000414498353 823995874 /nfs/dbraw/zinc/99/58/74/823995874.db2.gz VPVKCIDHCIDVAC-UHFFFAOYSA-N 1 0 389.851 4.025 20 0 GIADRO CO[C@@](C)([C@H](C)[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1)C1CC1 ZINC000414499077 823995992 /nfs/dbraw/zinc/99/59/92/823995992.db2.gz JEZZIIDXFOMSRP-SGTLLEGYSA-N 1 0 378.314 4.132 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]C[C@H](c2cccc(C(F)(F)F)c2)N(C)C)cc1O ZINC000575791363 823997132 /nfs/dbraw/zinc/99/71/32/823997132.db2.gz JOPCRRXKQBINSK-CXAGYDPISA-N 1 0 382.426 4.373 20 0 GIADRO O=C(N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21)C1CC[NH+](C2CC2)CC1 ZINC000192457064 823997897 /nfs/dbraw/zinc/99/78/97/823997897.db2.gz LHGOLEOQWYEKBR-SFHVURJKSA-N 1 0 399.535 4.317 20 0 GIADRO Cc1cc(C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)c(C)n1C(C)C ZINC000127000602 823998277 /nfs/dbraw/zinc/99/82/77/823998277.db2.gz FFCIQYLOFFZFDL-UHFFFAOYSA-N 1 0 383.536 4.142 20 0 GIADRO CCOc1ccc(NC(=O)CC[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000192460558 823998714 /nfs/dbraw/zinc/99/87/14/823998714.db2.gz KXPZARBXEUSORD-UHFFFAOYSA-N 1 0 398.478 4.148 20 0 GIADRO O=C(CCC(=O)c1csc2ccccc12)NC1CC[NH+](C2CCCC2)CC1 ZINC000127005752 823999191 /nfs/dbraw/zinc/99/91/91/823999191.db2.gz CHCODAFWVHNACM-UHFFFAOYSA-N 1 0 384.545 4.387 20 0 GIADRO COCCOCc1ccc(C[NH2+]Cc2cc(C)ccc2Br)cc1 ZINC000414514241 823999270 /nfs/dbraw/zinc/99/92/70/823999270.db2.gz LLEASTXZEAQFHU-UHFFFAOYSA-N 1 0 378.310 4.210 20 0 GIADRO C[C@@H]([NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccc(Br)cn1 ZINC000575802748 824000502 /nfs/dbraw/zinc/00/05/02/824000502.db2.gz PVLRZZCHRDYBSW-CWTRNNRKSA-N 1 0 389.293 4.417 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)N(Cc1cccnc1)C1CC1 ZINC000170886603 824000550 /nfs/dbraw/zinc/00/05/50/824000550.db2.gz UEKKAMWBYBWWAC-UHFFFAOYSA-N 1 0 398.938 4.074 20 0 GIADRO COc1cc(Br)c(C[N@@H+]2CC3(CCOCC3)[C@@H]2C(C)C)cc1OC ZINC000414521940 824000775 /nfs/dbraw/zinc/00/07/75/824000775.db2.gz FJGHKQCEFBULBF-SFHVURJKSA-N 1 0 398.341 4.103 20 0 GIADRO CCNC(=O)COc1ccc(C[NH2+][C@H](c2ccccc2)C2CCCC2)cc1OC ZINC000127015923 824001028 /nfs/dbraw/zinc/00/10/28/824001028.db2.gz FOCSMXGSEOSLAN-XMMPIXPASA-N 1 0 396.531 4.231 20 0 GIADRO COc1ccc(Cn2nc(C)c(C[N@@H+]3CC4(CCOCC4)[C@@H]3C(C)C)c2C)cc1 ZINC000414522618 824001222 /nfs/dbraw/zinc/00/12/22/824001222.db2.gz BWBRVVSDCKPGIS-QHCPKHFHSA-N 1 0 397.563 4.194 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1cc2c(s1)CCCC2 ZINC000127019962 824001468 /nfs/dbraw/zinc/00/14/68/824001468.db2.gz GMYNATKGZDVPBG-UHFFFAOYSA-N 1 0 384.545 4.084 20 0 GIADRO O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)N(Cc1cccnc1)C1CC1 ZINC000170891786 824001777 /nfs/dbraw/zinc/00/17/77/824001777.db2.gz IZJDZLLPALQMTH-NRFANRHFSA-N 1 0 398.938 4.246 20 0 GIADRO C[C@]12CCCN1C[C@@H](c1noc(C3(c4ccc(C(F)(F)F)cc4)CC3)n1)OC2 ZINC000575812694 824001960 /nfs/dbraw/zinc/00/19/60/824001960.db2.gz NXWSLILBNHBNGK-MAUKXSAKSA-N 1 0 393.409 4.094 20 0 GIADRO Brc1ccc(C2([NH2+]CCCCCn3cccn3)CCOCC2)cc1 ZINC000170913590 824004200 /nfs/dbraw/zinc/00/42/00/824004200.db2.gz NMDOQNWDQVYFSO-UHFFFAOYSA-N 1 0 392.341 4.111 20 0 GIADRO Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000127039372 824005333 /nfs/dbraw/zinc/00/53/33/824005333.db2.gz PXEDHUFFRYLXPM-RDJZCZTQSA-N 1 0 380.602 4.399 20 0 GIADRO Cc1nc(COc2ccc(C[N@@H+]3CCC[C@H](Oc4ccccc4)C3)cc2)no1 ZINC000414543874 824006907 /nfs/dbraw/zinc/00/69/07/824006907.db2.gz DRUMCIMJMUXGEJ-NRFANRHFSA-N 1 0 379.460 4.000 20 0 GIADRO OC[C@H]([NH2+]Cc1cccc(Oc2cccc(C(F)(F)F)c2)c1)[C@@H]1CCCOC1 ZINC000414544810 824007506 /nfs/dbraw/zinc/00/75/06/824007506.db2.gz FNOCPUYXGGZTII-UZLBHIALSA-N 1 0 395.421 4.375 20 0 GIADRO OC[C@H]([NH2+]Cc1ccc(-c2ccccc2Br)s1)[C@@H]1CCCOC1 ZINC000414546901 824007963 /nfs/dbraw/zinc/00/79/63/824007963.db2.gz GMGOAXKPWBICQJ-DYVFJYSZSA-N 1 0 396.350 4.055 20 0 GIADRO Cc1ccc(-c2ncc(C[NH2+][C@H](c3ccccc3)C3(CO)CCOCC3)s2)o1 ZINC000414547491 824008545 /nfs/dbraw/zinc/00/85/45/824008545.db2.gz ZUFCZHGDAAZHBZ-HXUWFJFHSA-N 1 0 398.528 4.332 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(N3CCCc4ccccc43)cc2)C1 ZINC000127057456 824008589 /nfs/dbraw/zinc/00/85/89/824008589.db2.gz QHQRSPGVUFDZGI-IBGZPJMESA-N 1 0 377.532 4.185 20 0 GIADRO COc1cc(-c2ccccc2)ccc1C[N@@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000414550494 824009457 /nfs/dbraw/zinc/00/94/57/824009457.db2.gz NHHWHAYMONKSDS-JOCHJYFZSA-N 1 0 378.516 4.339 20 0 GIADRO CC(C)(C)OC(=O)CC[C@H]1CCC[N@H+](Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000414551125 824009724 /nfs/dbraw/zinc/00/97/24/824009724.db2.gz AWVDQLQSISJFJD-WBVHZDCISA-N 1 0 380.554 4.329 20 0 GIADRO C[NH+](C)CC[C@@H](NC(=O)NC[C@H](Cc1ccccc1)C(F)(F)F)C(C)(C)C ZINC000575845500 824010757 /nfs/dbraw/zinc/01/07/57/824010757.db2.gz OUIXSZYWNIMESA-DLBZAZTESA-N 1 0 387.490 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824015260 /nfs/dbraw/zinc/01/52/60/824015260.db2.gz IRXRBRLDSHYZTH-OAQYLSRUSA-N 1 0 377.463 4.168 20 0 GIADRO C[C@@H]([NH2+]C1CCN(c2cnccn2)CC1)c1cccc(OCc2ccccc2)c1 ZINC000575866666 824015851 /nfs/dbraw/zinc/01/58/51/824015851.db2.gz QNUWAYUCVFBPCE-LJQANCHMSA-N 1 0 388.515 4.375 20 0 GIADRO Brc1cccc(CN2CCC([NH2+]Cc3cccc4c[nH]nc43)CC2)c1 ZINC000414587026 824016340 /nfs/dbraw/zinc/01/63/40/824016340.db2.gz LXUMADCTKKLISD-UHFFFAOYSA-N 1 0 399.336 4.080 20 0 GIADRO CC[C@H]1C[C@@H](C[NH2+]C2CCN(Cc3cccc(Br)c3)CC2)CCO1 ZINC000414591875 824016756 /nfs/dbraw/zinc/01/67/56/824016756.db2.gz UASASRUOKSSMRI-JXFKEZNVSA-N 1 0 395.385 4.208 20 0 GIADRO OC1CC[NH+](CCNc2nc(C3CC3)nc3scc(-c4ccccc4)c32)CC1 ZINC000575873620 824016855 /nfs/dbraw/zinc/01/68/55/824016855.db2.gz CGLBBENLKPFHGZ-UHFFFAOYSA-N 1 0 394.544 4.104 20 0 GIADRO Nc1c(Br)cc(Br)cc1C[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414595503 824017239 /nfs/dbraw/zinc/01/72/39/824017239.db2.gz TUBXJHLCNVIRFN-ZYHUDNBSSA-N 1 0 386.087 4.033 20 0 GIADRO COc1ccccc1-c1csc([C@@H]2CCC[N@H+](CCCc3cncn3C)C2)n1 ZINC000575878236 824018155 /nfs/dbraw/zinc/01/81/55/824018155.db2.gz AIILBQCSFBCYEB-QGZVFWFLSA-N 1 0 396.560 4.364 20 0 GIADRO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C)c1cncc(Br)c1 ZINC000575883499 824019042 /nfs/dbraw/zinc/01/90/42/824019042.db2.gz VSDINERARKKYRX-GUXCAODWSA-N 1 0 388.353 4.405 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C)c1cncc(Br)c1 ZINC000575883500 824019288 /nfs/dbraw/zinc/01/92/88/824019288.db2.gz VSDINERARKKYRX-TWOQFEAHSA-N 1 0 388.353 4.405 20 0 GIADRO CCCOc1ccc(CC(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1OCCC ZINC000127114961 824020532 /nfs/dbraw/zinc/02/05/32/824020532.db2.gz UDEYUSHVOPSIKI-UHFFFAOYSA-N 1 0 390.568 4.186 20 0 GIADRO C[C@@H](c1ccncc1)N(C)C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000127118165 824021104 /nfs/dbraw/zinc/02/11/04/824021104.db2.gz CZJNAVMWJYTXCE-OALUTQOASA-N 1 0 380.536 4.216 20 0 GIADRO CCCCc1ccc([C@H](NC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)C(C)C)cc1 ZINC000414658185 824021176 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20 0 GIADRO CN(C)c1ccc(C(F)(F)F)cc1NC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000414731776 824029638 /nfs/dbraw/zinc/02/96/38/824029638.db2.gz HXRRONZTMAWEQU-WMLDXEAASA-N 1 0 398.473 4.157 20 0 GIADRO C[C@H]1C[C@H](NC(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)CC[NH2+]1 ZINC000414732980 824030027 /nfs/dbraw/zinc/03/00/27/824030027.db2.gz JFAPPPWFNSZMRK-CMPLNLGQSA-N 1 0 399.347 4.303 20 0 GIADRO CN(C)c1ccc(C(F)(F)F)cc1NC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000414733486 824030140 /nfs/dbraw/zinc/03/01/40/824030140.db2.gz JJMNYZNYPIXYDW-KRWDZBQOSA-N 1 0 398.473 4.013 20 0 GIADRO C[C@H]1CCN(C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)C[C@@H]1C[NH3+] ZINC000414734624 824030314 /nfs/dbraw/zinc/03/03/14/824030314.db2.gz WIHJOFPVKBJWNR-RDJZCZTQSA-N 1 0 394.544 4.336 20 0 GIADRO [NH3+][C@H](CNC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccccc1 ZINC000414736002 824030728 /nfs/dbraw/zinc/03/07/28/824030728.db2.gz XUOVCSIEJYPLMR-MRXNPFEDSA-N 1 0 392.425 4.127 20 0 GIADRO CC1(NC(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)CC[NH2+]CC1 ZINC000414737119 824030757 /nfs/dbraw/zinc/03/07/57/824030757.db2.gz NWYOUZPUJBAWAW-UHFFFAOYSA-N 1 0 399.347 4.304 20 0 GIADRO [NH3+]C1CCC(NC(=O)Nc2ncc(Cc3ccc(C(F)(F)F)cc3)s2)CC1 ZINC000414738561 824031130 /nfs/dbraw/zinc/03/11/30/824031130.db2.gz PIHVVNACXWABMP-UHFFFAOYSA-N 1 0 398.454 4.144 20 0 GIADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)C1 ZINC000414753994 824033298 /nfs/dbraw/zinc/03/32/98/824033298.db2.gz XEGVRCCLNUHMGC-YPMHNXCESA-N 1 0 398.454 4.420 20 0 GIADRO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N(CC)[C@@H](C)c1cc2ccccc2o1 ZINC000414759042 824033638 /nfs/dbraw/zinc/03/36/38/824033638.db2.gz WBWLIAJHZWSCSJ-INIZCTEOSA-N 1 0 393.487 4.091 20 0 GIADRO [NH3+]C1(CNC(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)CCCCC1 ZINC000414779875 824035271 /nfs/dbraw/zinc/03/52/71/824035271.db2.gz RVRYLZFIBVZEJF-UHFFFAOYSA-N 1 0 381.480 4.114 20 0 GIADRO CC[NH2+]CC1CCN(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)CC1 ZINC000414782394 824035801 /nfs/dbraw/zinc/03/58/01/824035801.db2.gz XLYGCLPVHLQCHK-UHFFFAOYSA-N 1 0 395.507 4.184 20 0 GIADRO CC(C)CC(=O)Nc1ccc(NC(=O)N[C@@H](CCC[NH3+])c2ccccc2)cc1 ZINC000414787861 824036497 /nfs/dbraw/zinc/03/64/97/824036497.db2.gz LWBZEYYQBANQCE-FQEVSTJZSA-N 1 0 382.508 4.273 20 0 GIADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)Nc2ccc(OC(F)F)c(Cc3ccccc3)c2)C1 ZINC000414789003 824036581 /nfs/dbraw/zinc/03/65/81/824036581.db2.gz OEETYXMLBRSYLN-GOEBONIOSA-N 1 0 389.446 4.080 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1)C(=O)N1CCc2sccc2C1 ZINC000192581318 824037608 /nfs/dbraw/zinc/03/76/08/824037608.db2.gz ZZIUGLMEIUDGOR-STQMWFEESA-N 1 0 393.350 4.135 20 0 GIADRO CCCCOc1ccc(OC)cc1NC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000414814707 824038646 /nfs/dbraw/zinc/03/86/46/824038646.db2.gz WBAUSHHCLYHUIU-PXNSSMCTSA-N 1 0 389.540 4.260 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(COC)cc1)c1cccc(OC)c1 ZINC000192588681 824039108 /nfs/dbraw/zinc/03/91/08/824039108.db2.gz NZRBMOHEKPUIMH-OAQYLSRUSA-N 1 0 385.508 4.046 20 0 GIADRO CC[NH2+]CC1CCN(C(=O)Nc2ccccc2N2CCc3ccccc32)CC1 ZINC000414844744 824041166 /nfs/dbraw/zinc/04/11/66/824041166.db2.gz LHOBIRDWRUKDMJ-UHFFFAOYSA-N 1 0 378.520 4.234 20 0 GIADRO O=C(NCCC[NH2+]Cc1cccnc1)Nc1ccc(SC2CCCC2)cc1 ZINC000414843238 824041273 /nfs/dbraw/zinc/04/12/73/824041273.db2.gz JQCXBINCOSNKJS-UHFFFAOYSA-N 1 0 384.549 4.418 20 0 GIADRO CCCCN(C(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1)[C@@H](CC)c1ccccc1 ZINC000414851617 824042123 /nfs/dbraw/zinc/04/21/23/824042123.db2.gz OMAOLADPSYLWSH-UTKZUKDTSA-N 1 0 381.520 4.425 20 0 GIADRO CC(=O)N(c1nc(CN[C@@H](C[NH3+])C2CCCCC2)cs1)c1ccc(C)cc1 ZINC000414851825 824042176 /nfs/dbraw/zinc/04/21/76/824042176.db2.gz PUANWVSNVUAKSA-FQEVSTJZSA-N 1 0 386.565 4.133 20 0 GIADRO O=C(Nc1ccccc1N1CCc2ccccc21)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000414853282 824042260 /nfs/dbraw/zinc/04/22/60/824042260.db2.gz XIIYVFZFBYHRFD-FQEVSTJZSA-N 1 0 390.531 4.234 20 0 GIADRO CO[C@@H]1CCN(C(=O)Nc2ccc(Sc3ccc(C)c(C)c3)cc2)[C@@H](C[NH3+])C1 ZINC000414864431 824043504 /nfs/dbraw/zinc/04/35/04/824043504.db2.gz YNQBNAMAVRJRQZ-RTBURBONSA-N 1 0 399.560 4.425 20 0 GIADRO CC(C)(C)OC(=O)N1CCC(C[NH2+][C@@H](c2nccs2)c2ccccc2)CC1 ZINC000171036377 824043966 /nfs/dbraw/zinc/04/39/66/824043966.db2.gz BBYGOTUZSPDIPY-GOSISDBHSA-N 1 0 387.549 4.469 20 0 GIADRO [NH3+]CCCN(CC1CCCC1)C(=O)Nc1cccc(NC(=O)c2ccccc2)c1 ZINC000414878348 824044159 /nfs/dbraw/zinc/04/41/59/824044159.db2.gz HEQXZCKPEXRIFY-UHFFFAOYSA-N 1 0 394.519 4.312 20 0 GIADRO COc1ccc([C@H]2CC[NH2+]C[C@H]2NCc2ncc(-c3ccccc3)s2)cc1 ZINC000414881646 824044644 /nfs/dbraw/zinc/04/46/44/824044644.db2.gz LDVHNIZMJPJVGM-WOJBJXKFSA-N 1 0 379.529 4.054 20 0 GIADRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N[C@](C)(C[NH3+])C(C)C ZINC000414886810 824045511 /nfs/dbraw/zinc/04/55/11/824045511.db2.gz HZFNKXNAURVANM-OAQYLSRUSA-N 1 0 383.496 4.134 20 0 GIADRO CC(C)c1noc2nc(C3CC3)cc(C(=O)N3CCC[C@H]3C[NH+]3CCCCC3)c21 ZINC000171042628 824045480 /nfs/dbraw/zinc/04/54/80/824045480.db2.gz QBNNQSHMIVHECZ-KRWDZBQOSA-N 1 0 396.535 4.314 20 0 GIADRO Cc1ncc2n1C[C@@H](C(=O)N1CCC[C@@H]1c1nc3ccccc3n1C(C)C)CC2 ZINC000575993493 824045688 /nfs/dbraw/zinc/04/56/88/824045688.db2.gz CQMHECYGDMDBFU-LAUBAEHRSA-N 1 0 391.519 4.048 20 0 GIADRO CCC([NH3+])(CC)CNC(=O)Nc1cc(NC(=O)Nc2ccccc2)ccc1C ZINC000414889208 824045849 /nfs/dbraw/zinc/04/58/49/824045849.db2.gz LDIZTJSPUKREGX-UHFFFAOYSA-N 1 0 383.496 4.278 20 0 GIADRO CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]Cc1ccc(N3CCCC3=O)cc1)CCC2 ZINC000192621666 824047739 /nfs/dbraw/zinc/04/77/39/824047739.db2.gz DWTGRCCTFNIIKC-SFHVURJKSA-N 1 0 396.487 4.059 20 0 GIADRO Nc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000414911828 824049149 /nfs/dbraw/zinc/04/91/49/824049149.db2.gz HECXCMBPXRFNJZ-HXUWFJFHSA-N 1 0 397.320 4.384 20 0 GIADRO C[C@H](O)c1ccc(CNC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000171056100 824049517 /nfs/dbraw/zinc/04/95/17/824049517.db2.gz UYPYZDQUXDFAHH-IBGZPJMESA-N 1 0 395.547 4.115 20 0 GIADRO Cn1ccnc1[C@@H](O)[C@H]1CCC[N@H+](CCCc2c(Cl)cccc2Cl)C1 ZINC000192627066 824049737 /nfs/dbraw/zinc/04/97/37/824049737.db2.gz DZPIYNAFRLMCJR-KSSFIOAISA-N 1 0 382.335 4.105 20 0 GIADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1ncc(-c2cccc(Br)c2)o1 ZINC000576013896 824049789 /nfs/dbraw/zinc/04/97/89/824049789.db2.gz HXOXFGMLKINNFR-YOEHRIQHSA-N 1 0 390.325 4.163 20 0 GIADRO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@H]1CCCc2cc(N)ccc21 ZINC000414927132 824050967 /nfs/dbraw/zinc/05/09/67/824050967.db2.gz MAJSYYJAUGYTOH-BTYIYWSLSA-N 1 0 385.939 4.326 20 0 GIADRO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@H]1CCCc2cc(N)ccc21 ZINC000414927134 824050990 /nfs/dbraw/zinc/05/09/90/824050990.db2.gz MAJSYYJAUGYTOH-VFNWGFHPSA-N 1 0 385.939 4.326 20 0 GIADRO CCc1ccccc1NC(=O)C[C@@H](C)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000414936786 824051771 /nfs/dbraw/zinc/05/17/71/824051771.db2.gz HAMFSUJETSMXDQ-HXOBKFHXSA-N 1 0 375.516 4.409 20 0 GIADRO Cc1cc(C)n(-c2ccc(NC(=O)N(CCC[NH3+])Cc3ccccc3)cc2F)n1 ZINC000414948030 824053253 /nfs/dbraw/zinc/05/32/53/824053253.db2.gz LSCFHUWPCDIEOK-UHFFFAOYSA-N 1 0 395.482 4.011 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1c(F)cc(C(F)(F)F)cc1F ZINC000576032261 824054317 /nfs/dbraw/zinc/05/43/17/824054317.db2.gz CHUQFNDEPCMKHS-GFCCVEGCSA-N 1 0 378.385 4.368 20 0 GIADRO COc1cccc(Oc2ccc(NC(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)cc2)c1 ZINC000414968033 824055679 /nfs/dbraw/zinc/05/56/79/824055679.db2.gz FJDGRQPJOAHPAI-JHVJFLLYSA-N 1 0 381.476 4.079 20 0 GIADRO CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]Cc2cccc(OC3CCCC3)c2)cn1 ZINC000328648001 212089711 /nfs/dbraw/zinc/08/97/11/212089711.db2.gz UGCJXLFMYPJTDM-IRLDBZIGSA-N 1 0 382.508 4.174 20 0 GIADRO FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1CCC2(CCCC[NH2+]2)CC1 ZINC001164387276 718803547 /nfs/dbraw/zinc/80/35/47/718803547.db2.gz LIFGRXFEIHTJFO-UHFFFAOYSA-N 1 0 392.881 4.454 20 0 GIADRO Fc1c(Cl)nccc1C(F)(F)N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001164414657 718879952 /nfs/dbraw/zinc/87/99/52/718879952.db2.gz VYNJUYMSEGRFKJ-JTQLQIEISA-N 1 0 387.755 4.072 20 0 GIADRO FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1CCCCC12CC[NH2+]CC2 ZINC001164420632 718910238 /nfs/dbraw/zinc/91/02/38/718910238.db2.gz LTBMRUIYXSDBAT-UHFFFAOYSA-N 1 0 392.881 4.454 20 0 GIADRO FC(F)(c1cccnc1Cl)N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164621467 719053907 /nfs/dbraw/zinc/05/39/07/719053907.db2.gz JIYJHVKZIOTKCJ-WMZOPIPTSA-N 1 0 377.866 4.381 20 0 GIADRO Clc1ccnc2cc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)ncc12 ZINC001164629523 719075831 /nfs/dbraw/zinc/07/58/31/719075831.db2.gz XUFZTVFASUCXHV-UWJYYQICSA-N 1 0 378.907 4.384 20 0 GIADRO c1csc(-c2ccc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)nn2)c1 ZINC001164621668 719085649 /nfs/dbraw/zinc/08/56/49/719085649.db2.gz HKAFZQQORJYWIU-AZUAARDMSA-N 1 0 376.529 4.306 20 0 GIADRO CSc1ccc2ncnc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)c2c1 ZINC001164630373 719110695 /nfs/dbraw/zinc/11/06/95/719110695.db2.gz VWIXXYOHBWLOHX-AVRDEDQJSA-N 1 0 390.556 4.453 20 0 GIADRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1nc(-c2cccnc2)nc2sc3c(c21)CCCC3 ZINC001164632265 719233967 /nfs/dbraw/zinc/23/39/67/719233967.db2.gz ARTYKPRPSJRHBV-HUUCEWRRSA-N 1 0 393.560 4.161 20 0 GIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ccc(-c4ccco4)nn2)CC3)cs1 ZINC001164692686 719814462 /nfs/dbraw/zinc/81/44/62/719814462.db2.gz RBBPVJOGIGDARO-UHFFFAOYSA-N 1 0 395.532 4.137 20 0 GIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(C4CCC4)ncn2)CC3)cs1 ZINC001164692038 719814953 /nfs/dbraw/zinc/81/49/53/719814953.db2.gz KWDYRQQGYSKZHJ-UHFFFAOYSA-N 1 0 383.565 4.144 20 0 GIADRO COc1ccnc(Cl)c1N1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001164691288 719815890 /nfs/dbraw/zinc/81/58/90/719815890.db2.gz DQUJIOARNFGRKW-UHFFFAOYSA-N 1 0 392.956 4.144 20 0 GIADRO c1csc(C[N@@H+]2CCOC3(CCN(c4cc5ccccc5cn4)CC3)C2)c1 ZINC001164696101 719888337 /nfs/dbraw/zinc/88/83/37/719888337.db2.gz XEBPTPVTTSXIIH-UHFFFAOYSA-N 1 0 379.529 4.168 20 0 GIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nccc3c(Cl)cccc31)C2 ZINC001164812495 720111098 /nfs/dbraw/zinc/11/10/98/720111098.db2.gz OTKBGQJMTQXJKZ-VGOFRKELSA-N 1 0 385.939 4.073 20 0 GIADRO Clc1ccccc1-c1ccc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)nn1 ZINC001164728309 720409092 /nfs/dbraw/zinc/40/90/92/720409092.db2.gz SXCRSTQOYVSJEO-RTWAWAEBSA-N 1 0 391.906 4.045 20 0 GIADRO Cc1ccc(C)c(-c2ccc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)nn2)c1 ZINC001164729347 720450819 /nfs/dbraw/zinc/45/08/19/720450819.db2.gz HDJQKCHRYOJEAU-GOTSBHOMSA-N 1 0 385.515 4.009 20 0 GIADRO CC(C)c1cc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)nc(C(C)(C)C)n1 ZINC001164729430 720456260 /nfs/dbraw/zinc/45/62/60/720456260.db2.gz HKRUNWFCYMHOEC-WOJBJXKFSA-N 1 0 379.552 4.146 20 0 GIADRO Cc1cccc2cc(Cl)nc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c12 ZINC001164731149 720474006 /nfs/dbraw/zinc/47/40/06/720474006.db2.gz WDLCCMKVTGITPC-RBUKOAKNSA-N 1 0 378.907 4.445 20 0 GIADRO Cc1cccc2cc(Cl)nc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c12 ZINC001164731150 720474085 /nfs/dbraw/zinc/47/40/85/720474085.db2.gz WDLCCMKVTGITPC-RTBURBONSA-N 1 0 378.907 4.445 20 0 GIADRO Cc1cnc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c(Cl)c1 ZINC001164837026 720666285 /nfs/dbraw/zinc/66/62/85/720666285.db2.gz AWGLLANIOPQIKN-IBGZPJMESA-N 1 0 385.939 4.303 20 0 GIADRO Cc1cnc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c(Cl)c1 ZINC001164837033 720666895 /nfs/dbraw/zinc/66/68/95/720666895.db2.gz AWGLLANIOPQIKN-LJQANCHMSA-N 1 0 385.939 4.303 20 0 GIADRO Cc1ccc(C(F)(F)N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)nc1Cl ZINC001164863277 720966829 /nfs/dbraw/zinc/96/68/29/720966829.db2.gz ZMQSIGVRIIAKKO-AWEZNQCLSA-N 1 0 397.901 4.206 20 0 GIADRO Cc1c(Cl)cnc(Cl)c1N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001164856338 720993157 /nfs/dbraw/zinc/99/31/57/720993157.db2.gz BOMBSUAZDRJLAJ-CYBMUJFWSA-N 1 0 382.339 4.315 20 0 GIADRO c1ccc([C@H]2CO[C@]3(C2)CCCN(c2ccc(C[NH+]4CCCC4)cn2)C3)cc1 ZINC001164769659 721060809 /nfs/dbraw/zinc/06/08/09/721060809.db2.gz JSRUHJCKXGAAIU-VWNXMTODSA-N 1 0 377.532 4.221 20 0 GIADRO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CC[C@@H]2O[C@@H](COc3cccnc3)CC[C@H]21 ZINC001164878150 721252670 /nfs/dbraw/zinc/25/26/70/721252670.db2.gz SPGIYBIMCSSEJX-QRVBRYPASA-N 1 0 387.911 4.066 20 0 GIADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)nc1 ZINC001164881280 721359317 /nfs/dbraw/zinc/35/93/17/721359317.db2.gz AVORWHIEXZIKPP-HSALFYBXSA-N 1 0 396.560 4.074 20 0 GIADRO Cc1nc2sccc2c(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164791178 721489197 /nfs/dbraw/zinc/48/91/97/721489197.db2.gz CCCZGORCFDUTMY-UHFFFAOYSA-N 1 0 393.560 4.276 20 0 GIADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncnc3c(F)cccc31)CC2 ZINC001164791300 721494241 /nfs/dbraw/zinc/49/42/41/721494241.db2.gz ABRNRQYTSMWFJS-UHFFFAOYSA-N 1 0 391.494 4.045 20 0 GIADRO Cc1cccc2ncnc(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)c12 ZINC001164791988 721496041 /nfs/dbraw/zinc/49/60/41/721496041.db2.gz IONCNHMQRJHDSO-UHFFFAOYSA-N 1 0 387.531 4.214 20 0 GIADRO Cc1cc2c(ccnc2N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)o1 ZINC001164795030 721501841 /nfs/dbraw/zinc/50/18/41/721501841.db2.gz AVVMPJKNCGFJST-UHFFFAOYSA-N 1 0 376.504 4.412 20 0 GIADRO Cc1ccc(Cl)c(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164904316 721692794 /nfs/dbraw/zinc/69/27/94/721692794.db2.gz FNHGHGJCABRRSH-IBGZPJMESA-N 1 0 392.881 4.176 20 0 GIADRO FC1(F)CCN(c2cccc(C3CC3)n2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164913468 721736467 /nfs/dbraw/zinc/73/64/67/721736467.db2.gz VXSKUKHTKWVWOT-OAQYLSRUSA-N 1 0 384.474 4.092 20 0 GIADRO CC(C)Oc1cccc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165023498 721815452 /nfs/dbraw/zinc/81/54/52/721815452.db2.gz HFURKHSZFWLGBY-SESVDKBCSA-N 1 0 380.536 4.001 20 0 GIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nnc(Cl)c4ccoc43)C[C@@H]21 ZINC001165025961 721817960 /nfs/dbraw/zinc/81/79/60/721817960.db2.gz OMXPJVJLFCONPA-FHLIZLRMSA-N 1 0 397.910 4.008 20 0 GIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nnc(Cl)c4ccoc43)C[C@H]21 ZINC001165025963 721818069 /nfs/dbraw/zinc/81/80/69/721818069.db2.gz OMXPJVJLFCONPA-ZTFGCOKTSA-N 1 0 397.910 4.008 20 0 GIADRO Cc1cc2ncnc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c2s1 ZINC001165024889 721820629 /nfs/dbraw/zinc/82/06/29/721820629.db2.gz KUICLRLRPXKJAW-XKGZKEIXSA-N 1 0 393.560 4.132 20 0 GIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(-c4ccccc4)ncn3)C[C@H]21 ZINC001165029641 721823013 /nfs/dbraw/zinc/82/30/13/721823013.db2.gz XJFRDSFWDMZWTQ-BGWNEDDSSA-N 1 0 399.542 4.276 20 0 GIADRO Cc1cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc(C(C)C)n1 ZINC001165021549 721823553 /nfs/dbraw/zinc/82/35/53/721823553.db2.gz GAOMDCVNAMOKKL-TYPHKJRUSA-N 1 0 379.552 4.040 20 0 GIADRO Cc1cc(C(C)C)nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165024493 721830665 /nfs/dbraw/zinc/83/06/65/721830665.db2.gz KHIBFWXPXRGTOZ-RCZSKKKRSA-N 1 0 379.552 4.040 20 0 GIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(C)ccc2Cl)CC1 ZINC001165022493 721839377 /nfs/dbraw/zinc/83/93/77/721839377.db2.gz UGCCHZQVEBBTAT-UHFFFAOYSA-N 1 0 389.927 4.161 20 0 GIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc3c(n2)CCCC3)CC1 ZINC001165021552 721840372 /nfs/dbraw/zinc/84/03/72/721840372.db2.gz OEIKZWWPLBSIQE-UHFFFAOYSA-N 1 0 395.547 4.078 20 0 GIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc(C(C)C)cn2)CC1 ZINC001165022590 721841543 /nfs/dbraw/zinc/84/15/43/721841543.db2.gz PTQHYQLPQDGBNF-UHFFFAOYSA-N 1 0 383.536 4.323 20 0 GIADRO FC(F)(c1cc(-c2cccs2)nnc1Cl)N1CC[NH+](C2CCCC2)CC1 ZINC001165031654 721860113 /nfs/dbraw/zinc/86/01/13/721860113.db2.gz GYLABJNCHUHLRD-UHFFFAOYSA-N 1 0 398.910 4.468 20 0 GIADRO COCc1nc2scc(-c3ccccc3)c2c(N2CCC[C@@H]([NH+](C)C)C2)n1 ZINC000057838502 721897476 /nfs/dbraw/zinc/89/74/76/721897476.db2.gz GMSMAQISUYNHJH-MRXNPFEDSA-N 1 0 382.533 4.035 20 0 GIADRO COc1cccc(-c2cc(C(F)(F)N3CCC[C@H]([NH+](C)C)C3)cnc2Cl)c1 ZINC001165039742 721899544 /nfs/dbraw/zinc/89/95/44/721899544.db2.gz ZWWAJDOBLZHTPZ-INIZCTEOSA-N 1 0 395.881 4.486 20 0 GIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(C)c(Cl)cn4)CC3)C2)cc1 ZINC001164938939 721923194 /nfs/dbraw/zinc/92/31/94/721923194.db2.gz CKUKOACEDIHQHF-UHFFFAOYSA-N 1 0 385.939 4.223 20 0 GIADRO COc1ccc(-c2nc3ccc(F)cc3c(N(C)CC3CC[NH+](C)CC3)n2)cc1 ZINC001165041216 721932498 /nfs/dbraw/zinc/93/24/98/721932498.db2.gz KVSGDDUQYNWNPU-UHFFFAOYSA-N 1 0 394.494 4.223 20 0 GIADRO CN(CC1CC[NH+](C)CC1)C(F)(F)c1ccc(-c2ccc(Cl)nn2)cc1 ZINC001165042489 721937405 /nfs/dbraw/zinc/93/74/05/721937405.db2.gz HCZMNFVNIZFWBR-UHFFFAOYSA-N 1 0 380.870 4.120 20 0 GIADRO CN(CC1CC[NH+](C)CC1)c1cc(Cl)nc(-c2ccc(F)c(Cl)c2)n1 ZINC001165045144 721938858 /nfs/dbraw/zinc/93/88/58/721938858.db2.gz VQIIADYXEAPRIJ-UHFFFAOYSA-N 1 0 383.298 4.368 20 0 GIADRO C[NH+](C)CC1CCN(C(F)(F)c2cnc(Cl)c(-c3ccncc3)c2)CC1 ZINC001165042536 721950728 /nfs/dbraw/zinc/95/07/28/721950728.db2.gz ODUXHIMCGJQVDQ-UHFFFAOYSA-N 1 0 380.870 4.120 20 0 GIADRO COCc1cc(N2CCCC[C@@H]2CC[NH+]2CCCC2)nc(-c2ccccc2)n1 ZINC001165046739 721966038 /nfs/dbraw/zinc/96/60/38/721966038.db2.gz NVRXVTCXUKOVHK-OAQYLSRUSA-N 1 0 380.536 4.135 20 0 GIADRO CCN(CC)C(=O)c1cc(Cl)nc(N2CCCC[C@@H]2CC[NH+]2CCCC2)c1 ZINC001165049455 721971882 /nfs/dbraw/zinc/97/18/82/721971882.db2.gz TYAPDENCNIDZKV-GOSISDBHSA-N 1 0 392.975 4.062 20 0 GIADRO CC(C)(C)NC(=O)c1ccc(Cl)nc1N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001165046460 721972011 /nfs/dbraw/zinc/97/20/11/721972011.db2.gz FPEMCYQRFAGTPC-INIZCTEOSA-N 1 0 392.975 4.108 20 0 GIADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N(CCC(=O)OC)Cc2ccco2)nc1 ZINC001165047212 721983006 /nfs/dbraw/zinc/98/30/06/721983006.db2.gz JEXLAECNLGDDPH-FQEVSTJZSA-N 1 0 385.508 4.181 20 0 GIADRO CC[NH+](CC)C1CCN(c2nc(C)c(Cc3ccc(OC)cc3)c(C)n2)CC1 ZINC000076844766 722006970 /nfs/dbraw/zinc/00/69/70/722006970.db2.gz ODSBCUSLAQFUCR-UHFFFAOYSA-N 1 0 382.552 4.003 20 0 GIADRO Fc1ccc2nc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)ccc2c1 ZINC001164953767 722016548 /nfs/dbraw/zinc/01/65/48/722016548.db2.gz YWKUNKIARXSJIL-UHFFFAOYSA-N 1 0 376.479 4.261 20 0 GIADRO Cc1cccc(-c2ccc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)nn2)c1 ZINC001164955415 722021588 /nfs/dbraw/zinc/02/15/88/722021588.db2.gz FQMOBERYTAJYNQ-UHFFFAOYSA-N 1 0 399.542 4.340 20 0 GIADRO Cc1cc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc(C(C)(C)C)n1 ZINC001164995014 722209470 /nfs/dbraw/zinc/20/94/70/722209470.db2.gz KJTOBRNJTWSPAL-QHCPKHFHSA-N 1 0 382.527 4.467 20 0 GIADRO C[N@H+](Cc1ccc(N2CC[C@@H](OCC3CC3)[C@@H]2Cc2ccccc2)nc1)C1CC1 ZINC001165004565 722272107 /nfs/dbraw/zinc/27/21/07/722272107.db2.gz BPAUMKZUFLRLLV-BJKOFHAPSA-N 1 0 391.559 4.292 20 0 GIADRO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)/C=C/SCc2ccco2)CC1 ZINC000175813598 823046331 /nfs/dbraw/zinc/04/63/31/823046331.db2.gz IAGHNJJRXLJIMH-WUXMJOGZSA-N 1 0 391.924 4.070 20 0 GIADRO CC1CC[NH+](Cc2ccccc2CNC(=O)N2CCC([C@@H]3CCCO3)CC2)CC1 ZINC000187343686 823046485 /nfs/dbraw/zinc/04/64/85/823046485.db2.gz UPWDESYYAZUDLA-QHCPKHFHSA-N 1 0 399.579 4.019 20 0 GIADRO COc1c(Br)cccc1C[NH2+][C@H](C)C[C@@H](O)c1ccc(F)cc1 ZINC000187345769 823046782 /nfs/dbraw/zinc/04/67/82/823046782.db2.gz QSBHGJOWCRKVAZ-SJKOYZFVSA-N 1 0 382.273 4.199 20 0 GIADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1ccc2oc(C(F)(F)F)nc2c1 ZINC000175818769 823047427 /nfs/dbraw/zinc/04/74/27/823047427.db2.gz HDVXHWWCUFBYQD-ZDUSSCGKSA-N 1 0 384.402 4.185 20 0 GIADRO CC(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000175824772 823048453 /nfs/dbraw/zinc/04/84/53/823048453.db2.gz XZWUFQLBGUFHPP-UXHICEINSA-N 1 0 386.561 4.073 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC1CCC(C(F)F)CC1 ZINC000458509478 823048905 /nfs/dbraw/zinc/04/89/05/823048905.db2.gz PLYNOJMJZDSJBJ-GWFLUQINSA-N 1 0 379.495 4.020 20 0 GIADRO COc1c(Br)cccc1CN[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000187357054 823048993 /nfs/dbraw/zinc/04/89/93/823048993.db2.gz OYGLLODBWARIKQ-ZBFHGGJFSA-N 1 0 381.358 4.200 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NCC(=O)Nc2cccc(F)c2)CC1 ZINC000570524747 823049725 /nfs/dbraw/zinc/04/97/25/823049725.db2.gz DNBVGRLQDYVYSH-UHFFFAOYSA-N 1 0 391.874 4.003 20 0 GIADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+][C@H]1CCO[C@H](c2ccccc2)C1 ZINC000187363601 823050082 /nfs/dbraw/zinc/05/00/82/823050082.db2.gz MGSZYOWLQYQYCI-HKUYNNGSSA-N 1 0 393.936 4.144 20 0 GIADRO COc1c(Br)cccc1C[NH2+][C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000187363421 823050122 /nfs/dbraw/zinc/05/01/22/823050122.db2.gz JUAAMERKAUHKJV-AEFFLSMTSA-N 1 0 376.294 4.468 20 0 GIADRO COc1c(Br)cccc1C[NH2+][C@H]1CCO[C@H](c2ccccc2)C1 ZINC000187363438 823050138 /nfs/dbraw/zinc/05/01/38/823050138.db2.gz JUAAMERKAUHKJV-WMZOPIPTSA-N 1 0 376.294 4.468 20 0 GIADRO CN1C(=O)CCc2cc(C[NH2+]C[C@@H](O)c3ccc(-c4ccccc4)cc3)ccc21 ZINC000187364457 823050377 /nfs/dbraw/zinc/05/03/77/823050377.db2.gz GSYYRCBESAJBAO-XMMPIXPASA-N 1 0 386.495 4.086 20 0 GIADRO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H](C)c2sc(-c3ccccc3)nc2C)C1 ZINC000175834128 823050854 /nfs/dbraw/zinc/05/08/54/823050854.db2.gz AFNOSAGQWBOENT-SJLPKXTDSA-N 1 0 386.565 4.305 20 0 GIADRO CC1CC[NH+]([C@@H](CNC(=O)Nc2ccc([S@](C)=O)cc2)c2ccccc2)CC1 ZINC000175840415 823052195 /nfs/dbraw/zinc/05/21/95/823052195.db2.gz VMAICBHRXAWIHQ-KMRXNPHXSA-N 1 0 399.560 4.019 20 0 GIADRO NC(=O)[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]Cc1cc2ccccc2s1 ZINC000570547330 823052283 /nfs/dbraw/zinc/05/22/83/823052283.db2.gz YTAVAKOMCORCCX-INIZCTEOSA-N 1 0 378.419 4.106 20 0 GIADRO Cc1csc([C@@H](NC(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)C2CC2)n1 ZINC000175840455 823052346 /nfs/dbraw/zinc/05/23/46/823052346.db2.gz IYUUVVQRBXBPAF-MJGOQNOKSA-N 1 0 390.597 4.056 20 0 GIADRO COc1cc(C[NH2+]CC2CCC(F)(F)CC2)cc(OC)c1OCC(F)F ZINC000570547293 823052380 /nfs/dbraw/zinc/05/23/80/823052380.db2.gz WNTHWZUOIVRJQF-UHFFFAOYSA-N 1 0 379.394 4.263 20 0 GIADRO COc1ccc(C[NH2+]C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1 ZINC000187381609 823053338 /nfs/dbraw/zinc/05/33/38/823053338.db2.gz UCXNLVJPLYVPSQ-UHFFFAOYSA-N 1 0 392.421 4.108 20 0 GIADRO C[C@H]([NH2+]C[C@@H](c1ccccc1)C(C)(C)CO)c1ncc(Br)cc1F ZINC000187385775 823053682 /nfs/dbraw/zinc/05/36/82/823053682.db2.gz NCVJHLYPJFNHMD-BBRMVZONSA-N 1 0 395.316 4.436 20 0 GIADRO CCC1(CNC(=O)N[C@@H](C)c2cncc(F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000458575287 823058452 /nfs/dbraw/zinc/05/84/52/823058452.db2.gz DCTAJJPOZNMHQU-SFHVURJKSA-N 1 0 398.526 4.273 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1ccc(SC)cc1 ZINC000175864157 823058520 /nfs/dbraw/zinc/05/85/20/823058520.db2.gz CXWVSECVSWHNCL-OAQYLSRUSA-N 1 0 397.588 4.462 20 0 GIADRO CC(C)(C)OC(=O)N1CCC(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000120759547 823058593 /nfs/dbraw/zinc/05/85/93/823058593.db2.gz ZAEAEHOQHCZUTL-PZJWPPBQSA-N 1 0 388.552 4.391 20 0 GIADRO c1csc(CCCc2nnc(N3CC[C@@H](C[NH+]4CCCCC4)C3)n2C2CC2)c1 ZINC000570577187 823056881 /nfs/dbraw/zinc/05/68/81/823056881.db2.gz WZJISZPKLYHUAB-SFHVURJKSA-N 1 0 399.608 4.162 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)c3c[nH]cc3-c3ccc(F)cc3)c2)CC1 ZINC000187405570 823056947 /nfs/dbraw/zinc/05/69/47/823056947.db2.gz OXKNXIOOJJGASY-UHFFFAOYSA-N 1 0 392.478 4.215 20 0 GIADRO CCc1nnc(-c2ccc(NC(=O)NC(C)(C)CC[NH+]3CCCCCC3)cc2)o1 ZINC000187413480 823058755 /nfs/dbraw/zinc/05/87/55/823058755.db2.gz OSOIHHKLXXVMLJ-UHFFFAOYSA-N 1 0 399.539 4.465 20 0 GIADRO CN(C(=O)N[C@@H]1CC(C)(C)c2ccccc21)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458581954 823059373 /nfs/dbraw/zinc/05/93/73/823059373.db2.gz YXEZLICIUWLOHL-GOSISDBHSA-N 1 0 397.485 4.467 20 0 GIADRO Cc1cnc([C@H](NC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)C2CC2)s1 ZINC000175885081 823063513 /nfs/dbraw/zinc/06/35/13/823063513.db2.gz XOAKLLUWRSJKMA-PKOBYXMFSA-N 1 0 390.597 4.056 20 0 GIADRO C[C@H](Cc1cccc(F)c1)N(C)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000458588523 823059952 /nfs/dbraw/zinc/05/99/52/823059952.db2.gz XARLTMSIBFBJKV-MSOLQXFVSA-N 1 0 398.526 4.019 20 0 GIADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)N[C@H](c3cccc(C(F)(F)F)c3)C3CC3)C2)C1 ZINC000458590866 823060245 /nfs/dbraw/zinc/06/02/45/823060245.db2.gz CYKMPCZKZORLMS-AZUAARDMSA-N 1 0 395.469 4.284 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc2scnc2c1 ZINC000175871764 823060280 /nfs/dbraw/zinc/06/02/80/823060280.db2.gz CNNHRIBZDWZGDA-QGZVFWFLSA-N 1 0 380.517 4.282 20 0 GIADRO COc1ccc2nc(C[NH2+][C@H](C)c3ccc(N4CCCC4=O)cc3)sc2c1 ZINC000187423657 823061120 /nfs/dbraw/zinc/06/11/20/823061120.db2.gz LVFMSPXKHGXROK-CQSZACIVSA-N 1 0 381.501 4.283 20 0 GIADRO Cc1c([C@@H](C)[NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)nnn1-c1ccc(F)cc1 ZINC000570607690 823061188 /nfs/dbraw/zinc/06/11/88/823061188.db2.gz HIUQHCKLSYZVRP-LPTQZCDUSA-N 1 0 380.467 4.286 20 0 GIADRO Cc1nc(COc2ccc(C[NH2+]C[C@H]3CCN(CC(F)(F)F)C3)cc2)cs1 ZINC000120777161 823061866 /nfs/dbraw/zinc/06/18/66/823061866.db2.gz IDAGISSEGCLGDN-MRXNPFEDSA-N 1 0 399.482 4.004 20 0 GIADRO Cc1ccc(C[C@H](NC(=O)Nc2ccc3c(c2)C[NH2+]CC3)c2ccccn2)cc1 ZINC000570616365 823062705 /nfs/dbraw/zinc/06/27/05/823062705.db2.gz GDZODIXTXOLVOA-QHCPKHFHSA-N 1 0 386.499 4.141 20 0 GIADRO O=C(Nc1ccc2c(c1F)CC[NH2+]C2)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000570616338 823062800 /nfs/dbraw/zinc/06/28/00/823062800.db2.gz CYPPJKCZOMREGQ-AWEZNQCLSA-N 1 0 396.249 4.033 20 0 GIADRO CN(C)C[C@H](NC(=O)CCC(=O)c1ccc(F)c(F)c1)c1ccc(Cl)cc1 ZINC000570616058 823062818 /nfs/dbraw/zinc/06/28/18/823062818.db2.gz LLLBUGZXJGWDNV-SFHVURJKSA-N 1 0 394.849 4.000 20 0 GIADRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]2c2nc3ccccc3s2)cc1 ZINC000055898151 823063765 /nfs/dbraw/zinc/06/37/65/823063765.db2.gz HNYMPDYTKREVHF-SFHVURJKSA-N 1 0 381.501 4.471 20 0 GIADRO O=C(Nc1c(F)cccc1Cl)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000570630199 823064393 /nfs/dbraw/zinc/06/43/93/823064393.db2.gz PEZPZCJATCNSBO-SJORKVTESA-N 1 0 387.886 4.465 20 0 GIADRO Cc1nn2c(CNc3cccc4c3OCC[C@@H]4[NH+](C)C)c(C(C)C)nc2s1 ZINC000570627461 823064565 /nfs/dbraw/zinc/06/45/65/823064565.db2.gz OWIQKURFYPROIE-INIZCTEOSA-N 1 0 385.537 4.220 20 0 GIADRO C[N@H+](CCC(=O)N1CCc2sccc2C1)Cc1cccc(C(F)(F)F)c1 ZINC000055904327 823064681 /nfs/dbraw/zinc/06/46/81/823064681.db2.gz DFUURQOWHMJUAM-UHFFFAOYSA-N 1 0 382.451 4.174 20 0 GIADRO 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 823064995 /nfs/dbraw/zinc/06/49/95/823064995.db2.gz BJZDMAFIYTUPEI-ZOFXXKQRSA-N 1 0 389.506 4.400 20 0 GIADRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)[C@H]2C[C@@H]2C2CC2)CC1 ZINC000175892839 823065132 /nfs/dbraw/zinc/06/51/32/823065132.db2.gz SIYMSBFEKHXJAK-MOPGFXCFSA-N 1 0 380.454 4.174 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)N1CCC([C@H]2CCCO2)CC1 ZINC000187461619 823067792 /nfs/dbraw/zinc/06/77/92/823067792.db2.gz BNUXYAJVVLJKQL-HSZRJFAPSA-N 1 0 399.579 4.163 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)NCCc2ccc(Cl)s2)CC1 ZINC000175893525 823065512 /nfs/dbraw/zinc/06/55/12/823065512.db2.gz TVMULPQVOONBDK-UHFFFAOYSA-N 1 0 391.968 4.250 20 0 GIADRO C[C@H](NC(=O)N1CC[C@H](C(F)(F)F)C[C@@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000458634397 823067854 /nfs/dbraw/zinc/06/78/54/823067854.db2.gz QAXCERMOFLIBNT-JONQDZQNSA-N 1 0 375.479 4.012 20 0 GIADRO O=C(C[N@H+]1CCC[C@H]1Cc1ccc(F)cc1)Nc1ccccc1C(F)(F)F ZINC000055908879 823065820 /nfs/dbraw/zinc/06/58/20/823065820.db2.gz RTKJROWGIBTANP-INIZCTEOSA-N 1 0 380.385 4.490 20 0 GIADRO CCN(CC)C(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccc(C)c2)c1 ZINC000055910568 823065975 /nfs/dbraw/zinc/06/59/75/823065975.db2.gz HLGJTBFXHWDKOI-JOCHJYFZSA-N 1 0 393.531 4.253 20 0 GIADRO Cc1cccc([C@H]2CCC[N@@H+]2Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)c1 ZINC000055910065 823066016 /nfs/dbraw/zinc/06/60/16/823066016.db2.gz OHWCTCQSWPPYFE-TZIWHRDSSA-N 1 0 382.467 4.369 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)c2c(OC)ccc(SC)c2OC)CC1 ZINC000570644413 823066141 /nfs/dbraw/zinc/06/61/41/823066141.db2.gz CJSWKOIFQVZDTH-UHFFFAOYSA-N 1 0 394.581 4.010 20 0 GIADRO CC(C)OC1CCC(NC(=O)NCc2ccccc2C[NH+]2CCCCC2)CC1 ZINC000120800956 823066592 /nfs/dbraw/zinc/06/65/92/823066592.db2.gz WPRJTNHDIBITCM-UHFFFAOYSA-N 1 0 387.568 4.208 20 0 GIADRO CC(C)C[C@H](C)Oc1cc(C[NH2+][C@H](C)c2ccccc2-n2ccnn2)ccn1 ZINC000570649865 823066911 /nfs/dbraw/zinc/06/69/11/823066911.db2.gz QGRGNADFVAXNJY-ZWKOTPCHSA-N 1 0 379.508 4.327 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)N1CCC([C@@H]2CCCO2)CC1 ZINC000187457429 823066948 /nfs/dbraw/zinc/06/69/48/823066948.db2.gz NSAWAKDKPNCCOW-QHCPKHFHSA-N 1 0 399.579 4.163 20 0 GIADRO CC(C)[C@H](CNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)c1cccnc1 ZINC000175900294 823067487 /nfs/dbraw/zinc/06/74/87/823067487.db2.gz NULVDYMDNSVJGP-QHCPKHFHSA-N 1 0 394.563 4.127 20 0 GIADRO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000055933018 823068210 /nfs/dbraw/zinc/06/82/10/823068210.db2.gz HICMFUXOHZSBSG-LBPRGKRZSA-N 1 0 379.863 4.047 20 0 GIADRO C[C@H](CNC(=O)c1ccccc1SCc1cscn1)[NH+]1CCCCC1 ZINC000055934667 823068431 /nfs/dbraw/zinc/06/84/31/823068431.db2.gz JMVUHYLUYNGVBH-OAHLLOKOSA-N 1 0 375.563 4.040 20 0 GIADRO O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)N1CCC2(CCCC2)C1 ZINC000175906999 823069380 /nfs/dbraw/zinc/06/93/80/823069380.db2.gz SDUGXMHWMLQPFI-UHFFFAOYSA-N 1 0 399.579 4.033 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H](C)c1cc2ccccc2o1 ZINC000175908208 823069809 /nfs/dbraw/zinc/06/98/09/823069809.db2.gz FDHNPIJIJCMQOP-KRWDZBQOSA-N 1 0 377.488 4.235 20 0 GIADRO COc1cc(Br)c(C[NH2+][C@@H]2CCO[C@@H](c3cccs3)C2)cc1O ZINC000570671996 823070024 /nfs/dbraw/zinc/07/00/24/823070024.db2.gz MLIIOZSXRSDMNF-MLGOLLRUSA-N 1 0 398.322 4.235 20 0 GIADRO [NH3+][C@H](CCC(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1)c1ccccc1 ZINC000570675026 823070668 /nfs/dbraw/zinc/07/06/68/823070668.db2.gz FRTMIHWZYGLFKM-LSDHHAIUSA-N 1 0 397.466 4.348 20 0 GIADRO Cc1cccc([C@H](NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)C(C)(C)C)c1 ZINC000175912492 823070766 /nfs/dbraw/zinc/07/07/66/823070766.db2.gz LZUNCBBAXWTHFX-QFIPXVFZSA-N 1 0 394.563 4.441 20 0 GIADRO O[C@H](C[NH2+][C@H]1C[C@H]1c1ccccc1C(F)(F)F)COc1cccc2[nH]ccc21 ZINC000570675413 823071030 /nfs/dbraw/zinc/07/10/30/823071030.db2.gz LBGLUCVLEYEFDA-AZOIQLNYSA-N 1 0 390.405 4.072 20 0 GIADRO COc1cncc(/C=C\CC[N@H+](C)Cc2ccc(OC(F)F)c(OC)c2)c1 ZINC000570679218 823071161 /nfs/dbraw/zinc/07/11/61/823071161.db2.gz IRDGLZYQVDXMES-XQRVVYSFSA-N 1 0 378.419 4.236 20 0 GIADRO Cc1cccnc1[C@@H]([NH2+]CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1)C(C)C ZINC000120821958 823071244 /nfs/dbraw/zinc/07/12/44/823071244.db2.gz ZYRBFSOEWLNRAN-YWZLYKJASA-N 1 0 375.463 4.175 20 0 GIADRO CC(C)[C@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(F)cc1F ZINC000120837103 823074206 /nfs/dbraw/zinc/07/42/06/823074206.db2.gz FIGOLWMWTSLUHV-VLIAUNLRSA-N 1 0 396.503 4.263 20 0 GIADRO Cc1cccc(NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)c1Br ZINC000120842276 823074921 /nfs/dbraw/zinc/07/49/21/823074921.db2.gz DQOFMILMFCMWDB-ZDUSSCGKSA-N 1 0 382.327 4.243 20 0 GIADRO CC(C)(C)c1ccc(Oc2ccc(C(=O)N3CCC4(CC[NH2+]4)CC3)cn2)cc1 ZINC000570718105 823075302 /nfs/dbraw/zinc/07/53/02/823075302.db2.gz PBJOJTGRBLUZHH-UHFFFAOYSA-N 1 0 379.504 4.140 20 0 GIADRO COc1ccc2ccccc2c1C[N@@H+]1CCC[C@H](CNC(=O)CC(F)(F)F)C1 ZINC000570728688 823077109 /nfs/dbraw/zinc/07/71/09/823077109.db2.gz VSGPHOVHIUPOCE-OAHLLOKOSA-N 1 0 394.437 4.129 20 0 GIADRO C[C@H](NC(=O)N1CC(c2ccc(Cl)cc2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000458701345 823076092 /nfs/dbraw/zinc/07/60/92/823076092.db2.gz ZKUILWPARLCABA-FXAWDEMLSA-N 1 0 397.950 4.359 20 0 GIADRO CC1CCC(C)(CNC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)CC1 ZINC000458717563 823077737 /nfs/dbraw/zinc/07/77/37/823077737.db2.gz SRAJZAXGPDSTGZ-UHFFFAOYSA-N 1 0 377.495 4.261 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)N[C@@H]1CCCc2ccc(F)cc21 ZINC000458720747 823078032 /nfs/dbraw/zinc/07/80/32/823078032.db2.gz WIRVOEKANUOTOX-LJQANCHMSA-N 1 0 375.513 4.038 20 0 GIADRO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccc(C(F)(F)F)nc1 ZINC000570735604 823078276 /nfs/dbraw/zinc/07/82/76/823078276.db2.gz SQZJHVQCUKOSQA-KRWDZBQOSA-N 1 0 391.437 4.133 20 0 GIADRO Cc1nc(-c2ccccc2)oc1-c1nc(-c2cccc(OCC[NH+](C)C)c2)no1 ZINC000570735779 823078690 /nfs/dbraw/zinc/07/86/90/823078690.db2.gz DGHQQDXWOHMCCV-UHFFFAOYSA-N 1 0 390.443 4.307 20 0 GIADRO CCOc1ccc(-c2nc(CN(CC[NH+](C)C)Cc3ccccn3)cs2)cc1 ZINC000570736124 823078702 /nfs/dbraw/zinc/07/87/02/823078702.db2.gz HHYTYHWLSFSAQY-UHFFFAOYSA-N 1 0 396.560 4.168 20 0 GIADRO Cc1coc(-c2ccc(C)c(NC(=O)NC[C@H](c3cccs3)[NH+](C)C)c2)n1 ZINC000120863650 823079125 /nfs/dbraw/zinc/07/91/25/823079125.db2.gz KZTNOROYALDDNW-QGZVFWFLSA-N 1 0 384.505 4.444 20 0 GIADRO CCn1ccnc1[C@H]1CCCCN1CCOc1cccc(Br)c1 ZINC000570744058 823079666 /nfs/dbraw/zinc/07/96/66/823079666.db2.gz ZSNYLXQWBHPPLU-QGZVFWFLSA-N 1 0 378.314 4.272 20 0 GIADRO C[NH+](C)CCN(Cc1cccs1)C(=O)Nc1ccc(OC(F)F)c(F)c1 ZINC000175949168 823080073 /nfs/dbraw/zinc/08/00/73/823080073.db2.gz KPXDPLHHVZWEAF-UHFFFAOYSA-N 1 0 387.427 4.084 20 0 GIADRO C[C@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]Cc1ccc(C(F)F)cc1 ZINC000187525105 823081719 /nfs/dbraw/zinc/08/17/19/823081719.db2.gz HRYOSKIGBFABRT-PBHICJAKSA-N 1 0 384.467 4.128 20 0 GIADRO C[C@@H](N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(N2CCCC2=O)cc1 ZINC000120873949 823080423 /nfs/dbraw/zinc/08/04/23/823080423.db2.gz GFZTZZAQXMWXMB-XXBNENTESA-N 1 0 377.532 4.301 20 0 GIADRO C[NH+]1CCC(Oc2ccc(CNC(=O)N3Cc4ccc(Cl)cc4C3)cc2)CC1 ZINC000458746238 823080816 /nfs/dbraw/zinc/08/08/16/823080816.db2.gz BCIKJVMOEUSNEG-UHFFFAOYSA-N 1 0 399.922 4.038 20 0 GIADRO C[C@@H]1CN(Cc2cccc(C(=O)N3CCCCC3)c2)C[C@H](c2ccsc2)O1 ZINC000120879441 823081150 /nfs/dbraw/zinc/08/11/50/823081150.db2.gz GEALVNVIHGWEOY-DYESRHJHSA-N 1 0 384.545 4.336 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)c1cccc(N2CCCC2=O)c1 ZINC000056042211 823081255 /nfs/dbraw/zinc/08/12/55/823081255.db2.gz JUNVZDQLFUJZBW-UHFFFAOYSA-N 1 0 391.515 4.094 20 0 GIADRO C[C@@]1(NC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C[C@H]1c1ccccc1 ZINC000458756998 823082043 /nfs/dbraw/zinc/08/20/43/823082043.db2.gz XGMXNIMEGROBRT-QQGUTBHFSA-N 1 0 395.469 4.037 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1sc([C@H](C)OC)nc1C)c1ccsc1 ZINC000175977882 823087192 /nfs/dbraw/zinc/08/71/92/823087192.db2.gz ASMXWHIMBHSDFK-ZFWWWQNUSA-N 1 0 381.567 4.033 20 0 GIADRO CC[C@H](C)[NH2+][C@H](CNC(=O)N1CC[C@H](C(F)(F)F)C[C@@H]1C)c1ccco1 ZINC000458765326 823082787 /nfs/dbraw/zinc/08/27/87/823082787.db2.gz KMJWEGWMOCXFQC-ZQDZILKHSA-N 1 0 375.435 4.081 20 0 GIADRO CC(C)Oc1ccc(NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000570765195 823083533 /nfs/dbraw/zinc/08/35/33/823083533.db2.gz WZMKDHNEWFTUDI-SFTDATJTSA-N 1 0 393.531 4.460 20 0 GIADRO c1cc(-c2n[nH]cc2CN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cs1 ZINC000570766964 823083984 /nfs/dbraw/zinc/08/39/84/823083984.db2.gz DPPZSQACVSAOQJ-RXVVDRJESA-N 1 0 378.545 4.092 20 0 GIADRO O=C(Nc1ccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)cc1)C1CC1 ZINC000120905458 823084764 /nfs/dbraw/zinc/08/47/64/823084764.db2.gz CNCIMADFLODREG-OAQYLSRUSA-N 1 0 377.488 4.028 20 0 GIADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccccc2COc2ccccc2)C1 ZINC000120910294 823085530 /nfs/dbraw/zinc/08/55/30/823085530.db2.gz JHWHCSSCMHYGHX-IBGZPJMESA-N 1 0 381.520 4.365 20 0 GIADRO CCCOc1ccc(C[NH+]2CCC(c3nnc4ccccn43)CC2)cc1OCC ZINC000120913161 823085995 /nfs/dbraw/zinc/08/59/95/823085995.db2.gz NTKBNDCEWJUXJV-UHFFFAOYSA-N 1 0 394.519 4.296 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1sc([C@@H](C)OC)nc1C)c1ccsc1 ZINC000175977858 823087076 /nfs/dbraw/zinc/08/70/76/823087076.db2.gz ASMXWHIMBHSDFK-HIFRSBDPSA-N 1 0 381.567 4.033 20 0 GIADRO CCOc1ccc2c(c1)[C@H]([NH2+]Cc1cc(Br)ccc1O)CCO2 ZINC000187546567 823086340 /nfs/dbraw/zinc/08/63/40/823086340.db2.gz BNXCCFMJKPYLPL-MRXNPFEDSA-N 1 0 378.266 4.167 20 0 GIADRO C[C@H]([NH2+]C[C@@](C)(O)c1ccccc1Cl)c1ncc(Br)cc1F ZINC000187553827 823087438 /nfs/dbraw/zinc/08/74/38/823087438.db2.gz JVGZXJVOUNHEGZ-MGPLVRAMSA-N 1 0 387.680 4.195 20 0 GIADRO Cc1cc(C)cc(OCc2noc(CN3CC4(CCC4)[C@H]3C3CCOCC3)n2)c1 ZINC000570796037 823088624 /nfs/dbraw/zinc/08/86/24/823088624.db2.gz HQXBNAPNZCOCLT-JOCHJYFZSA-N 1 0 397.519 4.047 20 0 GIADRO Cc1cccc(OC(F)F)c1NC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000175984480 823088628 /nfs/dbraw/zinc/08/86/28/823088628.db2.gz CQVIHIMBUZXCIZ-UHFFFAOYSA-N 1 0 383.464 4.254 20 0 GIADRO Cc1ncsc1CC[NH2+]C[C@H](O)CO[C@@H](c1ccccc1)c1ccccc1C ZINC000570795614 823088767 /nfs/dbraw/zinc/08/87/67/823088767.db2.gz ZZACIGHJRPRGLN-REWPJTCUSA-N 1 0 396.556 4.059 20 0 GIADRO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)cc1F ZINC000056159650 823092337 /nfs/dbraw/zinc/09/23/37/823092337.db2.gz OPKSRODEMNJNQL-GJZGRUSLSA-N 1 0 398.482 4.096 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)Nc2ccc(-c3cc[nH]n3)cc2)CC1 ZINC000175999403 823092375 /nfs/dbraw/zinc/09/23/75/823092375.db2.gz OQIQYJIPXFHIAM-UHFFFAOYSA-N 1 0 389.503 4.205 20 0 GIADRO CCCCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000056153063 823089799 /nfs/dbraw/zinc/08/97/99/823089799.db2.gz PSBAXJDSPUBIGV-QZTJIDSGSA-N 1 0 381.520 4.284 20 0 GIADRO CCOc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cc(OC)c(OC)cc2C)cc1 ZINC000056154057 823090368 /nfs/dbraw/zinc/09/03/68/823090368.db2.gz HZDGRIIEGKUSCV-HZPDHXFCSA-N 1 0 386.492 4.089 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)NC[C@]2(C)C[C@H]2c2ccccc2)CC1 ZINC000458812581 823090518 /nfs/dbraw/zinc/09/05/18/823090518.db2.gz ARWZNOQJBOSJAT-ZCYQVOJMSA-N 1 0 391.559 4.486 20 0 GIADRO COc1cc(C)c([C@@H](C)[NH2+][C@@H](C)C(=O)NCc2ccccc2Cl)cc1OC ZINC000056153885 823090612 /nfs/dbraw/zinc/09/06/12/823090612.db2.gz PLOPUYOACDSYPI-CABCVRRESA-N 1 0 390.911 4.021 20 0 GIADRO CC1CC[NH+](Cc2ccccc2CN[C@@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000056155022 823091126 /nfs/dbraw/zinc/09/11/26/823091126.db2.gz OBJZTQRPXQCARK-XMMPIXPASA-N 1 0 391.559 4.028 20 0 GIADRO C[NH+](C)CCCC1CCN(C(=O)NCC[C@@H](c2ccccc2)C(F)(F)F)CC1 ZINC000458823881 823092520 /nfs/dbraw/zinc/09/25/20/823092520.db2.gz XQWBKNKOIFVLMJ-IBGZPJMESA-N 1 0 399.501 4.486 20 0 GIADRO C[C@@H]1CN(C(=O)NCC[C@@H](c2ccccc2)C(F)(F)F)CC[N@@H+](C2CCC2)C1 ZINC000458818585 823091550 /nfs/dbraw/zinc/09/15/50/823091550.db2.gz MZKSNZKSWKQXRS-LPHOPBHVSA-N 1 0 397.485 4.238 20 0 GIADRO CCCOc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2OC)cc1OC ZINC000056161961 823093228 /nfs/dbraw/zinc/09/32/28/823093228.db2.gz VJDHUBOFCWHCEA-CVEARBPZSA-N 1 0 386.492 4.170 20 0 GIADRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)c1cc(-c2ccc(Cl)cc2)on1 ZINC000570834445 823093304 /nfs/dbraw/zinc/09/33/04/823093304.db2.gz JLXZZBDXNVZDCJ-UHFFFAOYSA-N 1 0 387.867 4.182 20 0 GIADRO Cc1ccnc(-c2ccc(NC(=O)N(CC[NH+](C)C)Cc3cccs3)cc2)n1 ZINC000176005455 823093638 /nfs/dbraw/zinc/09/36/38/823093638.db2.gz NQEYOMJFGCTRAZ-UHFFFAOYSA-N 1 0 395.532 4.109 20 0 GIADRO Cc1c(C(=O)Nc2cccc(C3CC[NH+](Cc4ccccc4)CC3)c2)cnn1C ZINC000570836819 823093696 /nfs/dbraw/zinc/09/36/96/823093696.db2.gz UPQRPOKAFJVWEP-UHFFFAOYSA-N 1 0 388.515 4.360 20 0 GIADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)NCC[C@@H](c2ccccc2)C(F)(F)F)C1 ZINC000458835203 823094922 /nfs/dbraw/zinc/09/49/22/823094922.db2.gz CPCWASOYDMMFFG-MJGOQNOKSA-N 1 0 397.485 4.096 20 0 GIADRO CC[NH+]1CCN(c2ccc(N[C@@H](C)C(=O)Nc3cc(C)cc(C)c3)c(C)c2)CC1 ZINC000056170376 823095134 /nfs/dbraw/zinc/09/51/34/823095134.db2.gz VGMYERPRFTXKPN-FQEVSTJZSA-N 1 0 394.563 4.193 20 0 GIADRO CC(C)[NH2+]C1CCN(C(=O)Nc2c(-c3cccs3)nc3ccccn32)CC1 ZINC000570858778 823097144 /nfs/dbraw/zinc/09/71/44/823097144.db2.gz QZEJRNOBSQWYDE-UHFFFAOYSA-N 1 0 383.521 4.057 20 0 GIADRO NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+][C@H](c1ccccc1)C1CCCC1)CCC2 ZINC000570862761 823098125 /nfs/dbraw/zinc/09/81/25/823098125.db2.gz OASPAMHBIJGUTE-FGZHOGPDSA-N 1 0 384.545 4.233 20 0 GIADRO CC(C)(CO)[C@H]([NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)c1ccccc1 ZINC000570889493 823102800 /nfs/dbraw/zinc/10/28/00/823102800.db2.gz YJPXJDOKAZMIPB-DNVCBOLYSA-N 1 0 398.330 4.083 20 0 GIADRO CC[C@@H]([NH2+]CCCc1nc(-c2ccc(F)cc2)no1)c1ccc(C(=O)OC)cc1 ZINC000570871549 823099514 /nfs/dbraw/zinc/09/95/14/823099514.db2.gz IMRDITVUYGUUJI-LJQANCHMSA-N 1 0 397.450 4.336 20 0 GIADRO Cc1cccnc1[C@H]([NH2+]C[C@@H](O)COc1cccc(C(F)(F)F)c1)C(C)C ZINC000120996564 823099564 /nfs/dbraw/zinc/09/95/64/823099564.db2.gz VYCPLMMUSILGHQ-SJLPKXTDSA-N 1 0 382.426 4.135 20 0 GIADRO O=C(Nc1cccc(C(F)(F)F)c1)[C@H]([NH2+]C[C@@H]1CCCOC1)c1ccccc1 ZINC000056205933 823102875 /nfs/dbraw/zinc/10/28/75/823102875.db2.gz ZQEJHHCLUZRZSG-HNAYVOBHSA-N 1 0 392.421 4.401 20 0 GIADRO COc1ccc(Oc2cc(C[NH2+]Cc3c[nH]nc3-c3ccc(C)o3)ccn2)cc1 ZINC000121013099 823102927 /nfs/dbraw/zinc/10/29/27/823102927.db2.gz WRRBJPJRFPKLTF-UHFFFAOYSA-N 1 0 390.443 4.464 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1ccccc1SC(F)(F)F)Cc1ccccc1 ZINC000056202935 823102313 /nfs/dbraw/zinc/10/23/13/823102313.db2.gz PYMIBSZGQSLHGC-HNNXBMFYSA-N 1 0 382.451 4.201 20 0 GIADRO COc1ccc(Nc2ccccc2C(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)cc1 ZINC000570927109 823108358 /nfs/dbraw/zinc/10/83/58/823108358.db2.gz WHTVDHGRWONEEU-QFIPXVFZSA-N 1 0 393.531 4.289 20 0 GIADRO CC[C@H](CC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)c1ccc(C)cc1 ZINC000176040304 823103719 /nfs/dbraw/zinc/10/37/19/823103719.db2.gz IZHPHDYHQPKBRJ-HXUWFJFHSA-N 1 0 394.559 4.152 20 0 GIADRO C[C@H](Nc1ccc(CC[NH+]2CCCCC2)cc1)C(=O)Nc1cccnc1Cl ZINC000056216169 823105290 /nfs/dbraw/zinc/10/52/90/823105290.db2.gz NLPZNZROUUUDMH-INIZCTEOSA-N 1 0 386.927 4.203 20 0 GIADRO C[C@@H](C[C@H](O)c1ccc(F)cc1)[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000121027938 823105345 /nfs/dbraw/zinc/10/53/45/823105345.db2.gz NQYPRYAGJHFINY-SBUREZEXSA-N 1 0 388.502 4.074 20 0 GIADRO CCOc1ccccc1NC(=O)[C@@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1ccccc1 ZINC000187653824 823106087 /nfs/dbraw/zinc/10/60/87/823106087.db2.gz ZGVJENBTIQNZRO-NQIIRXRSSA-N 1 0 382.504 4.312 20 0 GIADRO COc1ccc2c(c1)CN(C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1)[C@H](c1ccccc1)C2 ZINC000570912380 823106600 /nfs/dbraw/zinc/10/66/00/823106600.db2.gz MBIMZSZXKPBVAY-FHZYATBESA-N 1 0 393.531 4.022 20 0 GIADRO CC(C)(C)c1n[nH]cc1C[NH2+]Cc1cccc(NC(=O)c2cccc(F)c2)c1 ZINC000121036015 823106747 /nfs/dbraw/zinc/10/67/47/823106747.db2.gz RNEIBYLBZZUINR-UHFFFAOYSA-N 1 0 380.467 4.388 20 0 GIADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000176052865 823107558 /nfs/dbraw/zinc/10/75/58/823107558.db2.gz IHUDMUJJBNCPBY-YWZLYKJASA-N 1 0 387.474 4.036 20 0 GIADRO O=C(NC[C@@H]1CCC[NH2+]C1)c1c(F)cccc1Sc1ccc(Cl)cc1 ZINC000570920010 823107828 /nfs/dbraw/zinc/10/78/28/823107828.db2.gz ZRBHLFCWSMEQHM-CYBMUJFWSA-N 1 0 378.900 4.360 20 0 GIADRO CC(C)[N@H+](C)C[C@H](C)NC(=O)C1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000570933313 823108971 /nfs/dbraw/zinc/10/89/71/823108971.db2.gz FKXVEHJHSQYDMN-LBPRGKRZSA-N 1 0 376.850 4.235 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@@H](c1ccccc1)C1CCCC1 ZINC000176062164 823109986 /nfs/dbraw/zinc/10/99/86/823109986.db2.gz FEBFJBBDDCXHLM-QFIPXVFZSA-N 1 0 393.531 4.043 20 0 GIADRO COc1cccc(C[N@@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)c1OC(C)C ZINC000570973729 823113950 /nfs/dbraw/zinc/11/39/50/823113950.db2.gz CAKUECMQWGVUPF-HSZRJFAPSA-N 1 0 387.495 4.049 20 0 GIADRO C[C@@H]1CC[C@H](C)N(C(=O)Nc2cccc(NC(=O)CC[NH+]3CCCCC3)c2)C1 ZINC000121072391 823112867 /nfs/dbraw/zinc/11/28/67/823112867.db2.gz NRMXSVLPKCVMBE-MSOLQXFVSA-N 1 0 386.540 4.153 20 0 GIADRO C[C@H](C[C@@H](O)c1ccc(F)cc1)[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000121075491 823113748 /nfs/dbraw/zinc/11/37/48/823113748.db2.gz SCBLAPGWTFDBFU-LAPQFRIASA-N 1 0 388.874 4.223 20 0 GIADRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)c1coc(C[NH3+])c1 ZINC000187715639 823119235 /nfs/dbraw/zinc/11/92/35/823119235.db2.gz ZRCOXWJDCCYNFH-SNVBAGLBSA-N 1 0 375.881 4.315 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](c2ccc(F)c(Cl)c2)C2CC2)[C@@H](C)C1 ZINC000459002771 823115193 /nfs/dbraw/zinc/11/51/93/823115193.db2.gz IMQAYMIDDRCDLC-FASAQXTFSA-N 1 0 381.923 4.302 20 0 GIADRO CCC[C@H]([NH2+]Cc1ccccc1CS(=O)(=O)NC(C)C)c1ccsc1 ZINC000187701133 823115942 /nfs/dbraw/zinc/11/59/42/823115942.db2.gz IIDADIMIQZVOMF-IBGZPJMESA-N 1 0 380.579 4.207 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1occc1-c1ccccc1 ZINC000121090812 823116580 /nfs/dbraw/zinc/11/65/80/823116580.db2.gz RMTODMXVRCHRQM-UHFFFAOYSA-N 1 0 390.483 4.403 20 0 GIADRO C[C@@H]([NH2+]CCCOc1ccc(C(F)(F)F)cn1)c1ccc2c(c1)CCC(=O)N2 ZINC000570991759 823116635 /nfs/dbraw/zinc/11/66/35/823116635.db2.gz PIOYJXKBHFCSRY-CYBMUJFWSA-N 1 0 393.409 4.105 20 0 GIADRO O=C(Cc1nc(-c2ccc(F)cc2)cs1)NC1CC[NH+](C2CCCC2)CC1 ZINC000187705586 823116847 /nfs/dbraw/zinc/11/68/47/823116847.db2.gz SNEDWTBFDVCUIZ-UHFFFAOYSA-N 1 0 387.524 4.015 20 0 GIADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)N[C@@H](c3ccc(F)c(Cl)c3)C3CC3)C2)C1 ZINC000459014520 823116966 /nfs/dbraw/zinc/11/69/66/823116966.db2.gz OTMHXSLQYAVXSK-UYAOXDASSA-N 1 0 379.907 4.058 20 0 GIADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000459018718 823117329 /nfs/dbraw/zinc/11/73/29/823117329.db2.gz QXRPAERJOLCFDG-DJJJIMSYSA-N 1 0 381.923 4.302 20 0 GIADRO CCS(=O)(=O)c1ccc2oc(CN3C[C@@H](c4ccc(C)cc4)C[C@H]3C)nc2c1 ZINC000570997086 823117607 /nfs/dbraw/zinc/11/76/07/823117607.db2.gz NTXRRQQRGXZSDS-AEFFLSMTSA-N 1 0 398.528 4.308 20 0 GIADRO O=C(N[C@H](c1ccc(F)c(Cl)c1)C1CC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000459020649 823117653 /nfs/dbraw/zinc/11/76/53/823117653.db2.gz SEAHWTSSUBSZAE-KUHUBIRLSA-N 1 0 379.907 4.058 20 0 GIADRO CCN(C(=O)NC[C@@H]1CCCC1(F)F)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000459019572 823117747 /nfs/dbraw/zinc/11/77/47/823117747.db2.gz IMDAARAPGFPFJD-NZSAHSFTSA-N 1 0 379.495 4.289 20 0 GIADRO C[C@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1cccc(Cl)c1 ZINC000187709745 823117848 /nfs/dbraw/zinc/11/78/48/823117848.db2.gz MKIKUSIEPIKKIT-OAHLLOKOSA-N 1 0 376.903 4.334 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2CCOC3(CCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000459022867 823118034 /nfs/dbraw/zinc/11/80/34/823118034.db2.gz PCNUZGWJVCKFPZ-CEMLEFRQSA-N 1 0 399.579 4.030 20 0 GIADRO C[C@H]([NH2+]CC1CCN(CC(F)(F)F)CC1)c1ccccc1Br ZINC000187712090 823118183 /nfs/dbraw/zinc/11/81/83/823118183.db2.gz JXPYAEROJIRUFY-LBPRGKRZSA-N 1 0 379.264 4.374 20 0 GIADRO CC[N@H+](CCc1nccs1)[C@H](C)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000121099565 823118229 /nfs/dbraw/zinc/11/82/29/823118229.db2.gz UJBLDJJGDYYECM-GOSISDBHSA-N 1 0 393.556 4.302 20 0 GIADRO Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+]CC2=CCCOC2)cc1 ZINC000571001549 823118290 /nfs/dbraw/zinc/11/82/90/823118290.db2.gz UJAHVLZBINOGBZ-UHFFFAOYSA-N 1 0 377.463 4.423 20 0 GIADRO Cc1cc(Br)cc2c1[C@H]([NH2+]C1CCN(CC(F)(F)F)CC1)CC2 ZINC000571003073 823118655 /nfs/dbraw/zinc/11/86/55/823118655.db2.gz OCRPDHMLKKEWNS-OAHLLOKOSA-N 1 0 391.275 4.361 20 0 GIADRO CC(C)c1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000121102671 823118844 /nfs/dbraw/zinc/11/88/44/823118844.db2.gz QFTVBHKGNZMTKT-SJORKVTESA-N 1 0 377.492 4.069 20 0 GIADRO Cc1ccc(-c2n[nH]cc2C[NH2+]CCCc2cn(-c3ccccc3)nc2C)o1 ZINC000121105511 823119752 /nfs/dbraw/zinc/11/97/52/823119752.db2.gz RXMCHGKROLHFCP-UHFFFAOYSA-N 1 0 375.476 4.195 20 0 GIADRO Cc1ccc(/C=C/CC(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)cc1 ZINC000121108689 823119965 /nfs/dbraw/zinc/11/99/65/823119965.db2.gz COIQMLWCGVCNDE-ONEGZZNKSA-N 1 0 378.516 4.241 20 0 GIADRO CC(C)C(=O)Nc1cccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)c1 ZINC000121107133 823120038 /nfs/dbraw/zinc/12/00/38/823120038.db2.gz PCVIVRCGPSQDSZ-NRFANRHFSA-N 1 0 379.504 4.274 20 0 GIADRO CC[C@@H]([NH2+]Cc1cccc(C(N)=O)c1)c1ccc(Br)cc1Cl ZINC000187725818 823120460 /nfs/dbraw/zinc/12/04/60/823120460.db2.gz XGQDEQQREBOFJG-MRXNPFEDSA-N 1 0 381.701 4.442 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)c2sccc2OC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000176100740 823120539 /nfs/dbraw/zinc/12/05/39/823120539.db2.gz YXAXXKRJWVBNAP-HIFRSBDPSA-N 1 0 380.460 4.132 20 0 GIADRO CCc1nc2c(s1)[C@H]([NH2+]CC1=CCN(C(=O)OC(C)(C)C)CC1)CCC2 ZINC000187741851 823123284 /nfs/dbraw/zinc/12/32/84/823123284.db2.gz XVWKVHVOSQQPOY-OAHLLOKOSA-N 1 0 377.554 4.240 20 0 GIADRO CCCCOc1c(Cl)cc(C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cc1OCC ZINC000571039268 823123812 /nfs/dbraw/zinc/12/38/12/823123812.db2.gz VTPJUIJOTIQJMU-NRFANRHFSA-N 1 0 394.943 4.133 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)CC[N@@H+]1C ZINC000459080426 823125208 /nfs/dbraw/zinc/12/52/08/823125208.db2.gz DQIKWWHOCWXPGA-RARDXLECSA-N 1 0 377.960 4.490 20 0 GIADRO Cc1ccc(C(=O)CCC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)s1 ZINC000176117567 823125934 /nfs/dbraw/zinc/12/59/34/823125934.db2.gz ZQZJWFRPQRZPRV-APWZRJJASA-N 1 0 384.545 4.189 20 0 GIADRO CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H]1CCO[C@H](c2cccs2)C1 ZINC000459092471 823126706 /nfs/dbraw/zinc/12/67/06/823126706.db2.gz YGTFUAUEFCINJQ-MOPGFXCFSA-N 1 0 393.597 4.266 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)N1CCc2ccccc2[C@H]1c1ccccc1 ZINC000459115311 823130008 /nfs/dbraw/zinc/13/00/08/823130008.db2.gz SZOZPBFULSHLCW-XMMPIXPASA-N 1 0 389.543 4.361 20 0 GIADRO Cc1cccc(CN(Cc2ccco2)C(=O)NC2CC[NH+](C3CCC3)CC2)c1 ZINC000459095401 823127355 /nfs/dbraw/zinc/12/73/55/823127355.db2.gz HVTUBEAKVRNTNO-UHFFFAOYSA-N 1 0 381.520 4.317 20 0 GIADRO CCO[C@H]1C[C@@]([NH3+])(C(=O)Nc2cccc(OCc3cccc(C)c3)c2)C1(C)C ZINC000187760931 823127458 /nfs/dbraw/zinc/12/74/58/823127458.db2.gz CXADXNSJRBRPTL-NZQKXSOJSA-N 1 0 382.504 4.045 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)CSc2ccc(F)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000176122330 823127684 /nfs/dbraw/zinc/12/76/84/823127684.db2.gz NYSCGDLTMUVHRX-NVXWUHKLSA-N 1 0 390.499 4.226 20 0 GIADRO CC(C)(C[NH2+]C[C@@H](O)COC(c1ccccc1)c1ccccc1)C(F)(F)F ZINC000571076867 823128324 /nfs/dbraw/zinc/12/83/24/823128324.db2.gz XMLRINICAOXGFV-GOSISDBHSA-N 1 0 381.438 4.332 20 0 GIADRO COc1ccccc1[C@@H]1CC[C@H](C)CN1C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000459115481 823130188 /nfs/dbraw/zinc/13/01/88/823130188.db2.gz UCACIZPEDMUFLT-UWJYYQICSA-N 1 0 385.552 4.195 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)CC[N@@H+]1Cc1ccccc1 ZINC000176124626 823128602 /nfs/dbraw/zinc/12/86/02/823128602.db2.gz WNQCPUDFXLRBKR-RARDXLECSA-N 1 0 384.470 4.238 20 0 GIADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)N[C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000459107223 823128704 /nfs/dbraw/zinc/12/87/04/823128704.db2.gz XNSVIFBGUVWJLS-VUBSUSDNSA-N 1 0 377.960 4.348 20 0 GIADRO CC[N@H+](CCc1nccs1)[C@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1 ZINC000121155309 823128915 /nfs/dbraw/zinc/12/89/15/823128915.db2.gz DFQQJNYVCOVUDG-NRFANRHFSA-N 1 0 395.528 4.396 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)Cc2csc(C(C)(C)C)n2)CC[N@@H+]1Cc1ccccc1 ZINC000176124799 823128992 /nfs/dbraw/zinc/12/89/92/823128992.db2.gz NLXOXFZDYZVLTC-AEFFLSMTSA-N 1 0 385.577 4.152 20 0 GIADRO C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)cc1 ZINC000056331948 823129379 /nfs/dbraw/zinc/12/93/79/823129379.db2.gz JYMKSAQWKRNGSI-HTAPYJJXSA-N 1 0 391.515 4.172 20 0 GIADRO Cc1nc(-c2ccccc2Br)sc1[C@@H](C)NC(=O)CCCC[NH3+] ZINC000571082893 823129505 /nfs/dbraw/zinc/12/95/05/823129505.db2.gz WMVUBKSGTWNSJW-LLVKDONJSA-N 1 0 396.354 4.187 20 0 GIADRO CSc1cccc(N(C(=O)c2cc(=O)[nH]c(C(C)C)c2)C2CC[NH+](C)CC2)c1 ZINC000121157182 823129544 /nfs/dbraw/zinc/12/95/44/823129544.db2.gz ZVHLIBJNSCXCSW-UHFFFAOYSA-N 1 0 399.560 4.374 20 0 GIADRO Cc1ccc(CN(CCc2ccccc2)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000121159076 823129773 /nfs/dbraw/zinc/12/97/73/823129773.db2.gz ZUGXIJGKGYYWRX-HXUWFJFHSA-N 1 0 397.588 4.295 20 0 GIADRO Cc1nc(C)c(-c2nc(-c3ccc(C[NH+]4CCC(C)CC4)cc3)no2)nc1C ZINC000571085086 823129830 /nfs/dbraw/zinc/12/98/30/823129830.db2.gz GSYMEFBPJOMVKT-UHFFFAOYSA-N 1 0 377.492 4.351 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)c2cc(F)c(F)c(F)c2F)CC[N@@H+]1Cc1ccccc1 ZINC000176127893 823130410 /nfs/dbraw/zinc/13/04/10/823130410.db2.gz QPDAEHPMGXJDFN-OCCSQVGLSA-N 1 0 380.385 4.026 20 0 GIADRO C[C@H](NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1ncc(-c2ccccc2)o1 ZINC000121163605 823130490 /nfs/dbraw/zinc/13/04/90/823130490.db2.gz XDEAKNMTTXBZKE-PKOBYXMFSA-N 1 0 382.508 4.063 20 0 GIADRO C[C@@H]([NH2+]C1CC1)C(=O)Nc1cc(C(F)(F)F)ccc1NCc1ccccc1 ZINC000571087923 823130499 /nfs/dbraw/zinc/13/04/99/823130499.db2.gz KYUASDBYQHQNJT-CYBMUJFWSA-N 1 0 377.410 4.397 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)[C@H]2SCCc3sccc32)CC[N@@H+]1Cc1ccccc1 ZINC000176129345 823130732 /nfs/dbraw/zinc/13/07/32/823130732.db2.gz LWRIVHGGJOUBFA-SYNHAJSKSA-N 1 0 386.586 4.248 20 0 GIADRO COc1ccc([C@@H](Cc2ccccc2)[NH2+]Cc2ccc(-n3cncn3)cc2)cc1 ZINC000571092127 823131236 /nfs/dbraw/zinc/13/12/36/823131236.db2.gz IXXAIBCPQGCCJY-XMMPIXPASA-N 1 0 384.483 4.350 20 0 GIADRO COc1cc([C@H](C)[NH2+]C[C@]2(C)OCCc3sccc32)ccc1OC(F)F ZINC000571096189 823131444 /nfs/dbraw/zinc/13/14/44/823131444.db2.gz KBKGGOLDHGUZMP-BUXKBTBVSA-N 1 0 383.460 4.497 20 0 GIADRO CCCN(C(=O)N[C@H](C)c1nccn1CC)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000459127863 823131647 /nfs/dbraw/zinc/13/16/47/823131647.db2.gz XUDGSPAAGZGLHT-CTNGQTDRSA-N 1 0 397.567 4.050 20 0 GIADRO C[C@H](NC(=O)N1CCC[C@H]([N@H+](C)Cc2ccccn2)CC1)[C@H]1CCC[C@@H](C)C1 ZINC000459133206 823132939 /nfs/dbraw/zinc/13/29/39/823132939.db2.gz CCOGXCJLJUJFIH-AQCRLBJHSA-N 1 0 386.584 4.292 20 0 GIADRO COc1cccc(C[C@H]([NH2+]Cc2ccc(Cn3ccccc3=O)cc2)C2CC2)c1 ZINC000121179719 823133146 /nfs/dbraw/zinc/13/31/46/823133146.db2.gz UBXGKUUOESDVIX-DEOSSOPVSA-N 1 0 388.511 4.016 20 0 GIADRO C[C@@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000121179401 823133268 /nfs/dbraw/zinc/13/32/68/823133268.db2.gz QFXBKBMZGNGCJD-WMZOPIPTSA-N 1 0 376.460 4.148 20 0 GIADRO C[C@@H](NC(=O)NC[C@H](c1cccs1)[NH+](C)C)c1cccc(N2CCCC2)c1 ZINC000176147176 823135589 /nfs/dbraw/zinc/13/55/89/823135589.db2.gz HUSQAAFOUCAQTG-VQIMIIECSA-N 1 0 386.565 4.011 20 0 GIADRO CN(C(=O)N[C@@H]1CC[C@H](c2cccc(Cl)c2)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000459143463 823134454 /nfs/dbraw/zinc/13/44/54/823134454.db2.gz PVWFIQWONFOGNX-DZUNGVIMSA-N 1 0 375.944 4.243 20 0 GIADRO CCN(C(=O)NCCC1CC(F)(F)C1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000459145338 823134647 /nfs/dbraw/zinc/13/46/47/823134647.db2.gz WMEIYIOFWRYNCO-VQIMIIECSA-N 1 0 379.495 4.289 20 0 GIADRO O=C(N[C@H]1CC[C@H](c2cccc(Cl)c2)C1)N1CCC([NH+]2CCCC2)CC1 ZINC000459147023 823134942 /nfs/dbraw/zinc/13/49/42/823134942.db2.gz SUDGAEBRPSGKLJ-HKUYNNGSSA-N 1 0 375.944 4.246 20 0 GIADRO C[C@@H]([NH2+]C1CCN(Cc2ccncc2)CC1)c1ccc(Br)cc1F ZINC000187796300 823135054 /nfs/dbraw/zinc/13/50/54/823135054.db2.gz CAEVGEWSOQZFPK-CQSZACIVSA-N 1 0 392.316 4.298 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)CCN1Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000121196549 823136722 /nfs/dbraw/zinc/13/67/22/823136722.db2.gz AUTTXYBDQSVEHS-INIZCTEOSA-N 1 0 382.895 4.096 20 0 GIADRO CC(C)OCC[NH+]1CCC(NC(=O)N[C@@H](C)c2cccc3ccccc32)CC1 ZINC000176153474 823137349 /nfs/dbraw/zinc/13/73/49/823137349.db2.gz CHKRPYUIMXYESN-SFHVURJKSA-N 1 0 383.536 4.089 20 0 GIADRO COC(=O)Nc1ccc(NC(=O)NC(C)(C)CC[NH+]2CCCCCC2)cc1F ZINC000187816450 823139546 /nfs/dbraw/zinc/13/95/46/823139546.db2.gz KDTICYWMCYSLDH-UHFFFAOYSA-N 1 0 394.491 4.170 20 0 GIADRO Cc1nc(COc2ccc(C[N@@H+](C)Cc3ccccc3N3CCCC3)cc2)no1 ZINC000121241321 823145798 /nfs/dbraw/zinc/14/57/98/823145798.db2.gz JMJCTIKFALFADC-UHFFFAOYSA-N 1 0 392.503 4.189 20 0 GIADRO Cc1ccccc1-c1nn(-c2ccccc2)cc1C[N@@H+](C)[C@H](C)C[S@](C)=O ZINC000187833681 823142568 /nfs/dbraw/zinc/14/25/68/823142568.db2.gz HBPYHTDKZIRXMK-CLYVBNDRSA-N 1 0 381.545 4.047 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H](C)C[C@H](O)c1cccs1 ZINC000121216869 823140728 /nfs/dbraw/zinc/14/07/28/823140728.db2.gz KMBYTVBRQRJLGE-WWGRRREGSA-N 1 0 396.940 4.229 20 0 GIADRO C[N@@H+]1CCC[C@H]1CCN1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 ZINC000121247021 823146949 /nfs/dbraw/zinc/14/69/49/823146949.db2.gz DVHRIJOSDSZDSS-FQEVSTJZSA-N 1 0 378.520 4.173 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)NC(=O)c2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000176186071 823147865 /nfs/dbraw/zinc/14/78/65/823147865.db2.gz YYJYUWKIVCVLKI-GOSISDBHSA-N 1 0 388.515 4.268 20 0 GIADRO COC[C@@H]([NH2+]C[C@@H]1CC2c3ccccc3C1c1ccccc12)C1CCOCC1 ZINC000187860827 823148363 /nfs/dbraw/zinc/14/83/63/823148363.db2.gz MTSWKMPJMZJRAN-MEKWRREBSA-N 1 0 377.528 4.315 20 0 GIADRO COc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@@H]2CCc4nc[nH]c4C2)CCC3)cc1 ZINC000571211740 823149303 /nfs/dbraw/zinc/14/93/03/823149303.db2.gz CYPVHGLSGSPISJ-RHSMWYFYSA-N 1 0 380.517 4.066 20 0 GIADRO Cc1cc(C(C)(C)[NH2+]C[C@@H](O)COCc2cccs2)ccc1Br ZINC000571211107 823149392 /nfs/dbraw/zinc/14/93/92/823149392.db2.gz AKLZYSSQDUVWPB-OAHLLOKOSA-N 1 0 398.366 4.221 20 0 GIADRO CCOc1ccc(CN(C)C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000056441679 823149803 /nfs/dbraw/zinc/14/98/03/823149803.db2.gz LKULLZODMBCCRR-UHFFFAOYSA-N 1 0 399.510 4.030 20 0 GIADRO CC[C@H]([NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)c1cccc(F)c1 ZINC000187870369 823149993 /nfs/dbraw/zinc/14/99/93/823149993.db2.gz XRUOOGLGWVRAFB-JKSBSHDWSA-N 1 0 384.495 4.316 20 0 GIADRO C[C@H](CCCc1cccnc1)NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000459242300 823150314 /nfs/dbraw/zinc/15/03/14/823150314.db2.gz LAVVFXMSDDPZLG-IFMALSPDSA-N 1 0 386.584 4.090 20 0 GIADRO CCc1nc([C@H](C)NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)cs1 ZINC000176196303 823150307 /nfs/dbraw/zinc/15/03/07/823150307.db2.gz BGNAUUJHTRUJNT-INIZCTEOSA-N 1 0 386.565 4.073 20 0 GIADRO CCCN(Cc1ccccc1Br)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000459245028 823150817 /nfs/dbraw/zinc/15/08/17/823150817.db2.gz AZHYYRARKURYBR-INIZCTEOSA-N 1 0 396.373 4.103 20 0 GIADRO C[N@@H+]1CCC[C@@H](CCNC(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)C1 ZINC000459243788 823150844 /nfs/dbraw/zinc/15/08/44/823150844.db2.gz ACXNJANHOICZOT-KRWDZBQOSA-N 1 0 395.507 4.184 20 0 GIADRO Cc1cnn(-c2ccc(C)cc2NC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000571236627 823153196 /nfs/dbraw/zinc/15/31/96/823153196.db2.gz HWBYLXKBBCWBEP-RBUKOAKNSA-N 1 0 395.551 4.264 20 0 GIADRO CC[C@@H](Cc1ccccc1)C(=O)Nc1cccc(NC(=O)C[NH+](CC)CC)c1 ZINC000571237792 823153413 /nfs/dbraw/zinc/15/34/13/823153413.db2.gz IEVMDCOYIUVGJY-IBGZPJMESA-N 1 0 381.520 4.174 20 0 GIADRO C[N@@H+]1CCC[C@H](CCNC(=O)Nc2ccccc2CN2CCc3ccccc32)C1 ZINC000459265071 823153815 /nfs/dbraw/zinc/15/38/15/823153815.db2.gz NOMDXUWLVQUZIE-LJQANCHMSA-N 1 0 392.547 4.103 20 0 GIADRO COc1ccccc1Oc1ccc(NC(=O)NCC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000459273637 823155062 /nfs/dbraw/zinc/15/50/62/823155062.db2.gz YHDDPYXEJCLNAF-QGZVFWFLSA-N 1 0 383.492 4.341 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000459291365 823157105 /nfs/dbraw/zinc/15/71/05/823157105.db2.gz MJGQTNKRYVGTME-UHFFFAOYSA-N 1 0 387.427 4.242 20 0 GIADRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1cc(C)c(F)cc1F ZINC000176228889 823158157 /nfs/dbraw/zinc/15/81/57/823158157.db2.gz DXUGCYRINLUSAV-UHFFFAOYSA-N 1 0 376.472 4.383 20 0 GIADRO COc1ccc(CC[NH2+][C@@H](c2ncc[nH]2)c2ccc(F)cc2)cc1OC(F)F ZINC000187918905 823158298 /nfs/dbraw/zinc/15/82/98/823158298.db2.gz NGXPBJAHKFILJY-GOSISDBHSA-N 1 0 391.393 4.081 20 0 GIADRO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC[C@@](C)(O)c1ccccc1 ZINC000187925790 823159019 /nfs/dbraw/zinc/15/90/19/823159019.db2.gz LSXBHRYKVSGYND-FOIQADDNSA-N 1 0 394.437 4.310 20 0 GIADRO COc1ccc(C[N@@H+]2CCC[C@H](OCC3CC3)C2)c(OCc2cccnc2)c1 ZINC000571274584 823159370 /nfs/dbraw/zinc/15/93/70/823159370.db2.gz IIEXQKFIJOVZHZ-QFIPXVFZSA-N 1 0 382.504 4.060 20 0 GIADRO CC(C)(C)[NH+]1CCC(NC(=O)Cc2cc(Cl)ccc2Br)CC1 ZINC000121305459 823159593 /nfs/dbraw/zinc/15/95/93/823159593.db2.gz WNQAHMAFSZOUIJ-UHFFFAOYSA-N 1 0 387.749 4.024 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]C2CCN(Cc3ccsc3)CC2)cc1NC(C)=O ZINC000121314511 823161625 /nfs/dbraw/zinc/16/16/25/823161625.db2.gz GVZRBZJBYWHQOA-OAHLLOKOSA-N 1 0 387.549 4.030 20 0 GIADRO O[C@H](C[NH2+][C@H](c1ccccc1)c1cccc2ccccc21)COC1CCOCC1 ZINC000571277722 823159712 /nfs/dbraw/zinc/15/97/12/823159712.db2.gz RVPFIPKZQHKMEU-PXDATVDWSA-N 1 0 391.511 4.075 20 0 GIADRO CC(=O)NCC1CC[NH+](C/C=C\c2ccc(OCc3ccccc3)cc2)CC1 ZINC000459321875 823161498 /nfs/dbraw/zinc/16/14/98/823161498.db2.gz HPRXRWSZUDVHEC-YVMONPNESA-N 1 0 378.516 4.127 20 0 GIADRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccccn1)c1cc(Cl)ccc1Cl ZINC000187937658 823161058 /nfs/dbraw/zinc/16/10/58/823161058.db2.gz LJFXKIFLVCAPKW-CQSZACIVSA-N 1 0 395.334 4.223 20 0 GIADRO C[C@H]1CC[C@](CO)([N@H+](C)Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000187957200 823163489 /nfs/dbraw/zinc/16/34/89/823163489.db2.gz RJRMOSGUGKNQOQ-UGSOOPFHSA-N 1 0 379.298 4.087 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)Nc1ccccc1OC(F)(F)F ZINC000459335188 823163645 /nfs/dbraw/zinc/16/36/45/823163645.db2.gz HOPFDCREWNRFOK-UHFFFAOYSA-N 1 0 387.427 4.242 20 0 GIADRO c1ccc(CN2CCO[C@H](C[NH2+][C@@H]3CCCc4c5ccccc5[nH]c43)C2)cc1 ZINC000571319643 823164747 /nfs/dbraw/zinc/16/47/47/823164747.db2.gz YMGIYJPZRUPPMQ-AUSIDOKSSA-N 1 0 375.516 4.036 20 0 GIADRO C[C@H](NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C)[C@@H]1c1ccccc1)c1cc2ccccc2o1 ZINC000571331794 823166535 /nfs/dbraw/zinc/16/65/35/823166535.db2.gz WYVOVQUPFZSCDG-SLHLXQHXSA-N 1 0 391.515 4.034 20 0 GIADRO CCOc1ccc(Oc2cc(C[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCC4)ccn2)cc1 ZINC000121343232 823166778 /nfs/dbraw/zinc/16/67/78/823166778.db2.gz SUCICKOTOPJIMO-FCEUIQTBSA-N 1 0 380.488 4.320 20 0 GIADRO COC[C@]1(C[NH2+][C@@H](C)c2ccccc2C(F)(F)F)OCCc2ccccc21 ZINC000571333197 823166844 /nfs/dbraw/zinc/16/68/44/823166844.db2.gz KNWRMHLZFKNYBJ-YWZLYKJASA-N 1 0 379.422 4.471 20 0 GIADRO CC(C)c1scnc1C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000571334412 823166869 /nfs/dbraw/zinc/16/68/69/823166869.db2.gz COPPFRVOOKECTA-JOCHJYFZSA-N 1 0 383.561 4.395 20 0 GIADRO CCCC(=O)Nc1cccc(NC(=O)N(CC[NH+](C)C)Cc2ccsc2)c1 ZINC000459349042 823167604 /nfs/dbraw/zinc/16/76/04/823167604.db2.gz TURYTVXWBUGCMS-UHFFFAOYSA-N 1 0 388.537 4.082 20 0 GIADRO NC(=O)CCC1CC[NH+](C/C=C/c2ccc(OCc3ccccc3)cc2)CC1 ZINC000459349987 823168292 /nfs/dbraw/zinc/16/82/92/823168292.db2.gz RXRQZXAOKDOJHI-QPJJXVBHSA-N 1 0 378.516 4.256 20 0 GIADRO CCOc1cc(C[N@@H+]2C[C@@H](O)C[C@H]2c2ccc(C(F)(F)F)cc2)ccc1O ZINC000459350502 823168354 /nfs/dbraw/zinc/16/83/54/823168354.db2.gz FQQVCHWBQBSMRX-IRXDYDNUSA-N 1 0 381.394 4.118 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+][C@H]1CCCC[C@H]1N1CCOCC1 ZINC000571349995 823169306 /nfs/dbraw/zinc/16/93/06/823169306.db2.gz UVNPVFXNKWVWRM-FFZOFVMBSA-N 1 0 385.577 4.413 20 0 GIADRO COc1cccc2c1CC[C@@H]2NC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000121355087 823169349 /nfs/dbraw/zinc/16/93/49/823169349.db2.gz TXLXGHACSLNXGU-JTSKRJEESA-N 1 0 393.531 4.207 20 0 GIADRO Cc1cc(C[N@@H+](Cc2ccccc2)C[C@]2(O)CCO[C@H]2C)cc2cccnc12 ZINC000571364672 823171928 /nfs/dbraw/zinc/17/19/28/823171928.db2.gz CRCVTAPEQZJGAQ-YADARESESA-N 1 0 376.500 4.085 20 0 GIADRO CCO[C@@H](C)c1nc(CN2CC[NH+](CC3CCC(F)(F)CC3)CC2)cs1 ZINC000459362672 823172175 /nfs/dbraw/zinc/17/21/75/823172175.db2.gz UBWYIPGWFSYODQ-HNNXBMFYSA-N 1 0 387.540 4.184 20 0 GIADRO CC1CC[NH+](C[C@H]2CCCN(C(=O)Nc3cc(F)ccc3OC(F)F)C2)CC1 ZINC000121363254 823170696 /nfs/dbraw/zinc/17/06/96/823170696.db2.gz ASXXPGZIILLVJQ-OAHLLOKOSA-N 1 0 399.457 4.403 20 0 GIADRO CC(C)OC1CC([NH+]2CCC(C(=O)Nc3ccccc3Br)CC2)C1 ZINC000459358220 823170731 /nfs/dbraw/zinc/17/07/31/823170731.db2.gz CBOJKWVDNRVTBP-UHFFFAOYSA-N 1 0 395.341 4.056 20 0 GIADRO C[C@@H](NC(=O)Nc1ccccc1O[C@H](C)C(F)(F)F)C(C)(C)C[NH+](C)C ZINC000571361436 823171084 /nfs/dbraw/zinc/17/10/84/823171084.db2.gz WVUNDCRTFSSURP-CHWSQXEVSA-N 1 0 375.435 4.114 20 0 GIADRO Cc1ccc(C)c(OC2CCN(C(=O)NCc3ccc(C[NH+](C)C)cc3)CC2)c1 ZINC000056572079 823172275 /nfs/dbraw/zinc/17/22/75/823172275.db2.gz ODOGHUYJGWYPGO-UHFFFAOYSA-N 1 0 395.547 4.118 20 0 GIADRO CC(C)c1ccccc1NC(=O)CN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000571366627 823172308 /nfs/dbraw/zinc/17/23/08/823172308.db2.gz GACTXVYPUFSVBY-YADHBBJMSA-N 1 0 391.559 4.202 20 0 GIADRO Oc1cccc(CNC[C@H](c2cccs2)[NH+]2CCCC2)c1Br ZINC000459362103 823172339 /nfs/dbraw/zinc/17/23/39/823172339.db2.gz GRFLTYWCODNBLM-CQSZACIVSA-N 1 0 381.339 4.143 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)NC[C@H]1CCOC2(CCC2)C1 ZINC000571395707 823177093 /nfs/dbraw/zinc/17/70/93/823177093.db2.gz ALNYAXNPOCAONO-QFIPXVFZSA-N 1 0 399.579 4.211 20 0 GIADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(C)(C)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000188021139 823173031 /nfs/dbraw/zinc/17/30/31/823173031.db2.gz VDGDOFGYJGMBQS-AEFFLSMTSA-N 1 0 382.470 4.217 20 0 GIADRO O=C(Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1)c1csc(Cl)c1 ZINC000188023911 823173415 /nfs/dbraw/zinc/17/34/15/823173415.db2.gz LUKRGZYPQQPWST-INIZCTEOSA-N 1 0 386.908 4.297 20 0 GIADRO COC1(c2nc(Cc3ccccc3)no2)CC[NH+](C[C@H]2CCCC2(F)F)CC1 ZINC000571374545 823173921 /nfs/dbraw/zinc/17/39/21/823173921.db2.gz OCMIXXNLBQRGRN-QGZVFWFLSA-N 1 0 391.462 4.033 20 0 GIADRO O=C(NCc1ccc2c[nH+]cn2c1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000571381134 823175183 /nfs/dbraw/zinc/17/51/83/823175183.db2.gz GBYBSQDRVOGTRW-UHFFFAOYSA-N 1 0 391.500 4.033 20 0 GIADRO CCCC[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(-c3cccnc3)cc2)CC1 ZINC000176297165 823175517 /nfs/dbraw/zinc/17/55/17/823175517.db2.gz QASNWMNSHMRDOI-GOSISDBHSA-N 1 0 380.536 4.373 20 0 GIADRO O=c1cc(C[NH2+]C2(c3ccc(Cl)cc3)CCOCC2)nc(-c2ccccc2)[nH]1 ZINC000459374093 823175750 /nfs/dbraw/zinc/17/57/50/823175750.db2.gz SWWCKPKZQBNQDL-UHFFFAOYSA-N 1 0 395.890 4.298 20 0 GIADRO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C1 ZINC000459373892 823175757 /nfs/dbraw/zinc/17/57/57/823175757.db2.gz IPPQQUOLJONCKI-KRWDZBQOSA-N 1 0 391.519 4.370 20 0 GIADRO COc1cc2c(cc1C[NH2+]Cc1c(C)nc3scc(C4CC4)n13)O[C@H](C)C2 ZINC000459374717 823175811 /nfs/dbraw/zinc/17/58/11/823175811.db2.gz XZSJVIRSTBLKIX-GFCCVEGCSA-N 1 0 383.517 4.203 20 0 GIADRO CC[NH+](CC)CCCCNC(=O)c1ccc(NC(=O)Nc2ccccc2)s1 ZINC000176297861 823175853 /nfs/dbraw/zinc/17/58/53/823175853.db2.gz ANXKOYHKKURTJC-UHFFFAOYSA-N 1 0 388.537 4.244 20 0 GIADRO Cc1ccccc1Oc1ccc(-c2nc(CC34CCC[NH+]3CCC4)no2)nc1 ZINC000571388672 823176230 /nfs/dbraw/zinc/17/62/30/823176230.db2.gz AXVWAJQOFKRJDP-UHFFFAOYSA-N 1 0 376.460 4.403 20 0 GIADRO CC(C)(C)OC(=O)NC1CCC([NH2+][C@@H](c2ncc[nH]2)c2ccc(F)cc2)CC1 ZINC000188050697 823177824 /nfs/dbraw/zinc/17/78/24/823177824.db2.gz PPWNIUHMQIIZQZ-DAWZGUTISA-N 1 0 388.487 4.064 20 0 GIADRO CO[C@@H]1CCN(Cc2ccc(-c3ccc(C(F)(F)F)cc3)s2)[C@@H](C[NH3+])C1 ZINC000571403547 823178049 /nfs/dbraw/zinc/17/80/49/823178049.db2.gz LFQCBHGQHNRRFF-HZPDHXFCSA-N 1 0 384.467 4.372 20 0 GIADRO Cc1ccc(C(=O)C2CCN(C(=O)Nc3cccc(C[NH+](C)C)c3)CC2)cc1 ZINC000056601040 823178075 /nfs/dbraw/zinc/17/80/75/823178075.db2.gz VIOUTQORKQSPJB-UHFFFAOYSA-N 1 0 379.504 4.183 20 0 GIADRO CC(C)OC1CC([NH+]2CCN(Cc3csc(-c4ccc(F)cc4)n3)CC2)C1 ZINC000459382353 823178447 /nfs/dbraw/zinc/17/84/47/823178447.db2.gz SXLZJECVNSJFJJ-UHFFFAOYSA-N 1 0 389.540 4.023 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)Nc2ccc(N(C)C(=O)OC)cc2)c1 ZINC000056621717 823183149 /nfs/dbraw/zinc/18/31/49/823183149.db2.gz BFJNJKZYALTACF-UHFFFAOYSA-N 1 0 398.507 4.053 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCC[C@@H]3c3ccccn3)cc2)C1 ZINC000056611518 823180751 /nfs/dbraw/zinc/18/07/51/823180751.db2.gz RTOYJDCNVSMOQJ-AUSIDOKSSA-N 1 0 392.547 4.360 20 0 GIADRO O=C(Nc1cccc(C[NH2+]C2CCN(c3ccccc3)CC2)c1)c1ccccn1 ZINC000571429837 823181561 /nfs/dbraw/zinc/18/15/61/823181561.db2.gz LKPNCONMZFMOIH-UHFFFAOYSA-N 1 0 386.499 4.093 20 0 GIADRO CCN(Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000188071308 823181813 /nfs/dbraw/zinc/18/18/13/823181813.db2.gz CBKIUGRMEBJQGK-UHFFFAOYSA-N 1 0 382.483 4.100 20 0 GIADRO CCN1CC[C@H]([NH2+][C@@H](C)c2ccc(OC)c(O)c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000571453780 823185270 /nfs/dbraw/zinc/18/52/70/823185270.db2.gz CWYMXMQITARQNU-LJOBPSPCSA-N 1 0 394.437 4.304 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NCc2ccccc2N2CCO[C@H](C)C2)CC1 ZINC000459405279 823185421 /nfs/dbraw/zinc/18/54/21/823185421.db2.gz FEEUIMPAMMFZML-RTWAWAEBSA-N 1 0 393.575 4.227 20 0 GIADRO CCOc1cc(NC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)ccc1OC ZINC000056629803 823185562 /nfs/dbraw/zinc/18/55/62/823185562.db2.gz PBPDZLKUZMZVDE-UHFFFAOYSA-N 1 0 389.540 4.214 20 0 GIADRO C[N@@H+]1CCC[C@H](CCNC(=O)Nc2ccc(COCc3ccccc3)cc2)C1 ZINC000459405171 823185640 /nfs/dbraw/zinc/18/56/40/823185640.db2.gz DSIDPXSJTKDFRV-LJQANCHMSA-N 1 0 381.520 4.257 20 0 GIADRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)N(C)CC[NH+](C)C ZINC000176339982 823186698 /nfs/dbraw/zinc/18/66/98/823186698.db2.gz MZSCXGMTBXGKNE-ZDUSSCGKSA-N 1 0 380.945 4.036 20 0 GIADRO Cc1cccc(Cl)c1NC(=O)CN[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000571464673 823186729 /nfs/dbraw/zinc/18/67/29/823186729.db2.gz CKOGRIMQXRIHIO-HXUWFJFHSA-N 1 0 399.966 4.477 20 0 GIADRO O=C(NCCCc1c[nH]c2ccccc12)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176341253 823186919 /nfs/dbraw/zinc/18/69/19/823186919.db2.gz CWCNCBMRXGKAGR-UHFFFAOYSA-N 1 0 382.552 4.197 20 0 GIADRO CC(C)NC(=O)CC[NH2+][C@H](C)c1ccc(Br)cc1C(F)(F)F ZINC000188115901 823188883 /nfs/dbraw/zinc/18/88/83/823188883.db2.gz KIERHIVVJJMMKE-SNVBAGLBSA-N 1 0 381.236 4.033 20 0 GIADRO COc1ccc(C[C@@H]([NH2+]C2CCN(C3CC3)CC2)c2ccccc2)cc1OC ZINC000459413881 823187663 /nfs/dbraw/zinc/18/76/63/823187663.db2.gz XXHDJERRALPIFA-JOCHJYFZSA-N 1 0 380.532 4.204 20 0 GIADRO COc1ccc(NC(=O)NC[C@@H](c2ccc(OC(C)C)cc2)[NH+](C)C)c(C)c1 ZINC000571472089 823187687 /nfs/dbraw/zinc/18/76/87/823187687.db2.gz BTPZAUVJMOTRFZ-NRFANRHFSA-N 1 0 385.508 4.215 20 0 GIADRO C[C@@H]1CN(c2ccccc2C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CCO1 ZINC000459416441 823187929 /nfs/dbraw/zinc/18/79/29/823187929.db2.gz CEWXDGKFUIKGGT-PQNGQFLHSA-N 1 0 393.575 4.054 20 0 GIADRO COc1ccc(CNc2cc(C)cc(N3CC[NH+](C(C)C)CC3)c2)c(C)c1OC ZINC000571478715 823189037 /nfs/dbraw/zinc/18/90/37/823189037.db2.gz KJWTXBONIIBYJD-UHFFFAOYSA-N 1 0 397.563 4.463 20 0 GIADRO CC(C)c1noc(CCC[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)n1 ZINC000459415072 823188031 /nfs/dbraw/zinc/18/80/31/823188031.db2.gz ZKHVSTCGJIAPJJ-UHFFFAOYSA-N 1 0 394.523 4.289 20 0 GIADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)c1cnc(-c2ccc(OC)cc2)s1)c1ccco1 ZINC000571474767 823188476 /nfs/dbraw/zinc/18/84/76/823188476.db2.gz JYSOJGVLGFYREL-YOEHRIQHSA-N 1 0 399.516 4.271 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(NC(N)=O)cc2)[C@H]1Sc1ccccc1 ZINC000459422537 823189214 /nfs/dbraw/zinc/18/92/14/823189214.db2.gz YLDHGAFPYQDCJS-VVHHDAOASA-N 1 0 385.533 4.166 20 0 GIADRO Cc1cccc2cc(C(=O)NCc3ccc(C[NH+]4CCC(O)CC4)cc3)sc21 ZINC000571483337 823189627 /nfs/dbraw/zinc/18/96/27/823189627.db2.gz TXAADBKXMGYCHQ-UHFFFAOYSA-N 1 0 394.540 4.096 20 0 GIADRO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)CC1CCC(F)(F)CC1 ZINC000459424120 823189652 /nfs/dbraw/zinc/18/96/52/823189652.db2.gz IKVUBQDAHHWAHS-HNNXBMFYSA-N 1 0 386.508 4.045 20 0 GIADRO CCC(=O)N1CC[C@H]([NH2+][C@@H](c2ccc(Br)cc2Cl)C2CC2)C1 ZINC000188156272 823195445 /nfs/dbraw/zinc/19/54/45/823195445.db2.gz LPDQTBNNWDXJAQ-SUMWQHHRSA-N 1 0 385.733 4.154 20 0 GIADRO Cc1cccc(O[C@H](C)CNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)c1 ZINC000176353893 823189945 /nfs/dbraw/zinc/18/99/45/823189945.db2.gz NBIJUQBROOZKIW-HXUWFJFHSA-N 1 0 395.547 4.068 20 0 GIADRO Cc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccsc2)cc1-c1ncco1 ZINC000459454749 823195536 /nfs/dbraw/zinc/19/55/36/823195536.db2.gz OAWVVUJMHPECHJ-UHFFFAOYSA-N 1 0 384.505 4.307 20 0 GIADRO COc1cc(F)cc(C[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)c1 ZINC000459432978 823191083 /nfs/dbraw/zinc/19/10/83/823191083.db2.gz HOQDRFUFGFRSII-UHFFFAOYSA-N 1 0 380.467 4.498 20 0 GIADRO Cc1cnc([C@@H](C)NC(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)s1 ZINC000176385427 823195656 /nfs/dbraw/zinc/19/56/56/823195656.db2.gz DLTVADHBNSFTPZ-HZPDHXFCSA-N 1 0 392.594 4.346 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1C[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000459438927 823192127 /nfs/dbraw/zinc/19/21/27/823192127.db2.gz SVEKOGWXXAQUSK-UHFFFAOYSA-N 1 0 395.557 4.432 20 0 GIADRO CC(C)c1nccn1Cc1cccc(NC(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000056662024 823192310 /nfs/dbraw/zinc/19/23/10/823192310.db2.gz FRQZAWOEUJVAQG-RBUKOAKNSA-N 1 0 397.567 4.297 20 0 GIADRO C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000571505059 823193658 /nfs/dbraw/zinc/19/36/58/823193658.db2.gz KAHWBBYUDOJCQB-SUNYJGFJSA-N 1 0 386.927 4.207 20 0 GIADRO CC(=O)Nc1c(C)ccc(NC(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)c1C ZINC000056691015 823193876 /nfs/dbraw/zinc/19/38/76/823193876.db2.gz SMOVBWVKDCMNNW-FQEVSTJZSA-N 1 0 388.556 4.140 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1C[NH2+]C[C@@H](c1ccccc1)C(C)(C)CO ZINC000459456830 823195844 /nfs/dbraw/zinc/19/58/44/823195844.db2.gz XQMSWIQFUHLXRQ-SFHVURJKSA-N 1 0 383.561 4.474 20 0 GIADRO O=C(NC1CC[NH+](Cc2cnn(C3CCCC3)c2-c2ccccc2)CC1)C1CC1 ZINC000571513018 823194215 /nfs/dbraw/zinc/19/42/15/823194215.db2.gz OMBRXXJDHWDEJT-UHFFFAOYSA-N 1 0 392.547 4.156 20 0 GIADRO Cc1cccc([C@@H]([NH2+]C[C@H](O)COCc2ccccc2Cl)c2ccccn2)c1 ZINC000571515756 823194813 /nfs/dbraw/zinc/19/48/13/823194813.db2.gz ALXQAQWWLSSCLO-NZQKXSOJSA-N 1 0 396.918 4.300 20 0 GIADRO CC(C)(CO)[C@@H](C[NH2+]Cc1cccc(O)c1Br)c1ccccc1 ZINC000459453548 823195081 /nfs/dbraw/zinc/19/50/81/823195081.db2.gz SKKSDSIQBQMADB-INIZCTEOSA-N 1 0 378.310 4.047 20 0 GIADRO C(=C/c1ccc(OCc2ccccc2)cc1)\C[NH2+][C@@H]1CCO[C@]2(CCOC2)C1 ZINC000459453253 823195220 /nfs/dbraw/zinc/19/52/20/823195220.db2.gz ARCHKQXXQWVGCV-KLECBRBHSA-N 1 0 379.500 4.207 20 0 GIADRO COCC[C@@H]([NH2+]Cc1cc(=O)[nH]c(C2CC2)n1)c1ccc(Cl)c(Cl)c1 ZINC000459457836 823196265 /nfs/dbraw/zinc/19/62/65/823196265.db2.gz QEGWDZFMGKSXQF-MRXNPFEDSA-N 1 0 382.291 4.234 20 0 GIADRO FC(F)(F)c1cccc(C2(C[NH2+]Cc3cnc(C4CC4)nc3)CCOCC2)c1 ZINC000459463195 823197095 /nfs/dbraw/zinc/19/70/95/823197095.db2.gz HITVDHXBGFMQCX-UHFFFAOYSA-N 1 0 391.437 4.211 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1C[N@@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000459462350 823197188 /nfs/dbraw/zinc/19/71/88/823197188.db2.gz LCPLIPCEBPNXJN-QGZVFWFLSA-N 1 0 377.517 4.378 20 0 GIADRO C[C@@H]1C[NH+](CCC2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)C[C@@H](C)O1 ZINC000176393255 823197667 /nfs/dbraw/zinc/19/76/67/823197667.db2.gz KCHGJYJWWSDNTN-HZPDHXFCSA-N 1 0 379.932 4.083 20 0 GIADRO CCC[C@H](C)C(=O)NCC[NH2+][C@@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000571540924 823197790 /nfs/dbraw/zinc/19/77/90/823197790.db2.gz FIVWPAMFGUTYNZ-KBPBESRZSA-N 1 0 377.529 4.461 20 0 GIADRO CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]Cc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1 ZINC000571540265 823197845 /nfs/dbraw/zinc/19/78/45/823197845.db2.gz IMFJSELQOWXSRY-PGRWBUPISA-N 1 0 383.536 4.216 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc3c(c2)OC(CC)(CC)O3)C1 ZINC000188176370 823198095 /nfs/dbraw/zinc/19/80/95/823198095.db2.gz MDTDSODHRYLAMW-INIZCTEOSA-N 1 0 375.513 4.170 20 0 GIADRO COc1ccc([C@@H](NC(=O)C[NH2+][C@@H](C)c2ccc(OC)c(F)c2)C(C)C)cc1 ZINC000121520333 823199146 /nfs/dbraw/zinc/19/91/46/823199146.db2.gz WYMGEWNGFXQZHX-NYHFZMIOSA-N 1 0 388.483 4.007 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2cc(=O)oc3c(C)c(C)ccc23)C1)CC(F)(F)F ZINC000176398157 823199376 /nfs/dbraw/zinc/19/93/76/823199376.db2.gz RTCLPDIEZALYOI-INIZCTEOSA-N 1 0 396.453 4.116 20 0 GIADRO O=C(c1ccncc1)N1CCC([NH2+][C@H]2CCC[C@@H]2Cc2ccc(Cl)cc2)CC1 ZINC000459475388 823200055 /nfs/dbraw/zinc/20/00/55/823200055.db2.gz ZWIKWHZAGLLNHS-KNQAVFIVSA-N 1 0 397.950 4.341 20 0 GIADRO CCC[C@H]([NH2+][C@H]1C[C@@H](OCC)[C@@H]1Sc1ccccc1)c1nnc2ccccn21 ZINC000459475358 823200185 /nfs/dbraw/zinc/20/01/85/823200185.db2.gz ZUTRFASJNXDJLG-CTAFRAEOSA-N 1 0 396.560 4.498 20 0 GIADRO CCc1ccc(-c2noc(C[N@H+]3CC[C@@H](CN(CC)CC(F)(F)F)C3)n2)cc1 ZINC000176401191 823200249 /nfs/dbraw/zinc/20/02/49/823200249.db2.gz DPUGFFWVGDTTLU-INIZCTEOSA-N 1 0 396.457 4.005 20 0 GIADRO O=c1cc(C[NH2+][C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)nc(C2CC2)[nH]1 ZINC000459476405 823200600 /nfs/dbraw/zinc/20/06/00/823200600.db2.gz ZMRJRHAUEWPEEJ-QGZVFWFLSA-N 1 0 379.382 4.199 20 0 GIADRO CC[C@@H](c1ccc(Br)cc1)[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000121530076 823200738 /nfs/dbraw/zinc/20/07/38/823200738.db2.gz OPJSJPMLUOBGBW-SFHVURJKSA-N 1 0 379.342 4.235 20 0 GIADRO Cc1cc(C)c(Br)c(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)c1 ZINC000121530054 823200800 /nfs/dbraw/zinc/20/08/00/823200800.db2.gz LQUWZINWHNDXNT-AWEZNQCLSA-N 1 0 381.339 4.160 20 0 GIADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)CSCc1ccc(Br)cc1 ZINC000461265247 823608659 /nfs/dbraw/zinc/60/86/59/823608659.db2.gz PPEGCTCYWKANDC-KRWDZBQOSA-N 1 0 399.398 4.015 20 0 GIADRO CC[C@H](C)Oc1ccc(NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000056729223 823201661 /nfs/dbraw/zinc/20/16/61/823201661.db2.gz RNHBUJNRJZDHEQ-KRWDZBQOSA-N 1 0 382.508 4.045 20 0 GIADRO CCN(C[C@@H]1CC[N@@H+]([C@@H](C)c2nc(-c3ccccc3)no2)C1)CC(F)(F)F ZINC000176406970 823201813 /nfs/dbraw/zinc/20/18/13/823201813.db2.gz UCSSJVCOWINDCU-GJZGRUSLSA-N 1 0 382.430 4.004 20 0 GIADRO Clc1ccccc1OCc1nnc(SCCC[NH+]2CCCC2)n1C1CC1 ZINC000188196671 823202019 /nfs/dbraw/zinc/20/20/19/823202019.db2.gz FQVFPWCSFOPLSH-UHFFFAOYSA-N 1 0 392.956 4.423 20 0 GIADRO CC(=O)Nc1ccc(C)c(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)c1 ZINC000188201116 823202511 /nfs/dbraw/zinc/20/25/11/823202511.db2.gz VBNCWGXJYMNSRA-GOSISDBHSA-N 1 0 393.531 4.258 20 0 GIADRO C[C@H]1C[C@H](CCNC(=O)c2ccoc2C(F)(F)F)C[N@@H+]1Cc1ccccc1 ZINC000571575365 823202634 /nfs/dbraw/zinc/20/26/34/823202634.db2.gz GJVRIVSIIUCZDG-HOCLYGCPSA-N 1 0 380.410 4.329 20 0 GIADRO CCOc1cc(C[NH2+][C@H]2CCOc3c(F)cccc32)cc(Br)c1O ZINC000459506075 823206515 /nfs/dbraw/zinc/20/65/15/823206515.db2.gz JKBCORDSQXONHK-HNNXBMFYSA-N 1 0 396.256 4.306 20 0 GIADRO Cc1cnc([C@@H](C)NC(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)s1 ZINC000176412472 823202800 /nfs/dbraw/zinc/20/28/00/823202800.db2.gz HFFZWRSOMNZNIA-QGZVFWFLSA-N 1 0 386.565 4.244 20 0 GIADRO COc1ccc(-c2ccccc2C)cc1C[NH2+][C@H]1CCO[C@@H]1c1cnn(C)c1C ZINC000459494419 823203829 /nfs/dbraw/zinc/20/38/29/823203829.db2.gz RISKMBQXTAIOKQ-LADGPHEKSA-N 1 0 391.515 4.332 20 0 GIADRO COc1ccnc(C[NH2+][C@@H]2CCN(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000571583971 823204034 /nfs/dbraw/zinc/20/40/34/823204034.db2.gz IIAXIQOWIBUITF-UXHICEINSA-N 1 0 377.891 4.196 20 0 GIADRO C[C@H](Oc1ccc(C(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)cn1)c1ccccc1 ZINC000571590431 823204667 /nfs/dbraw/zinc/20/46/67/823204667.db2.gz WZDSXFPHMSNZSB-OALUTQOASA-N 1 0 393.531 4.168 20 0 GIADRO Cc1ccccc1-n1ncc(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c1C(C)C ZINC000188219361 823205127 /nfs/dbraw/zinc/20/51/27/823205127.db2.gz PEHYVMJZFOQEIO-HXUWFJFHSA-N 1 0 394.563 4.252 20 0 GIADRO Clc1cccc(CC[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)c1 ZINC000459506435 823206771 /nfs/dbraw/zinc/20/67/71/823206771.db2.gz KRROTJIHJYHCEO-XMSQKQJNSA-N 1 0 394.906 4.381 20 0 GIADRO CO[C@H](CC[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1)C(F)(F)F ZINC000459500419 823205357 /nfs/dbraw/zinc/20/53/57/823205357.db2.gz XWHQPFOJVNWMFN-QGZVFWFLSA-N 1 0 382.430 4.117 20 0 GIADRO CC1CC[NH+]([C@@H](CNC(=O)N2CCC[C@H]2c2ccccn2)c2ccccc2)CC1 ZINC000056745919 823205401 /nfs/dbraw/zinc/20/54/01/823205401.db2.gz LFENARBFGGZWHJ-GOTSBHOMSA-N 1 0 392.547 4.401 20 0 GIADRO C[C@@H](c1cccnc1)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000459502889 823205750 /nfs/dbraw/zinc/20/57/50/823205750.db2.gz GZSHOZMKKMRZDJ-SFHVURJKSA-N 1 0 384.955 4.083 20 0 GIADRO Brc1cccc(N[C@H]2CCC[N@H+](Cc3cnc(C4CC4)nc3)C2)c1 ZINC000459510694 823207796 /nfs/dbraw/zinc/20/77/96/823207796.db2.gz XGHBOWMQMDJLHM-SFHVURJKSA-N 1 0 387.325 4.193 20 0 GIADRO Cc1ccc(C)c(NC(=O)[C@H](C)[NH+]2CCC3(CC2)OCCc2ccccc23)c1 ZINC000459528029 823212187 /nfs/dbraw/zinc/21/21/87/823212187.db2.gz QVRNEFIESBSUDL-IBGZPJMESA-N 1 0 378.516 4.194 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CC(C)(C)[C@H]2[C@@H]2CCCO2)cc1 ZINC000571609270 823208297 /nfs/dbraw/zinc/20/82/97/823208297.db2.gz PZYOYUQBOXHUBV-BVYCBKJFSA-N 1 0 399.579 4.160 20 0 GIADRO Fc1ccc(-n2ccc(C[NH+]3CCC4(CC3)OCCc3ccccc34)n2)cc1 ZINC000459512654 823208442 /nfs/dbraw/zinc/20/84/42/823208442.db2.gz FNLMFNMUQQEEBT-UHFFFAOYSA-N 1 0 377.463 4.075 20 0 GIADRO C[C@H]([NH2+]CCCO[C@H]1CCOC1)c1ccc(Br)cc1C(F)(F)F ZINC000188243829 823208554 /nfs/dbraw/zinc/20/85/54/823208554.db2.gz UGVVSVWIJZHGFM-AAEUAGOBSA-N 1 0 396.247 4.314 20 0 GIADRO Cc1cc([C@H]2CCCN2C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)on1 ZINC000056764003 823208959 /nfs/dbraw/zinc/20/89/59/823208959.db2.gz PNZWVDQOPZEQMF-HXUWFJFHSA-N 1 0 382.508 4.380 20 0 GIADRO COCCN(Cc1ccccc1)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000056764227 823209028 /nfs/dbraw/zinc/20/90/28/823209028.db2.gz ZNFBFHCFJKHLDL-UHFFFAOYSA-N 1 0 395.547 4.396 20 0 GIADRO CC(C)COC1CCN(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC1 ZINC000056763965 823209073 /nfs/dbraw/zinc/20/90/73/823209073.db2.gz USYYNHCMFTWNDI-UHFFFAOYSA-N 1 0 387.568 4.384 20 0 GIADRO Cc1c(NC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])cccc1C(=O)Nc1ccccc1 ZINC000571634950 823212624 /nfs/dbraw/zinc/21/26/24/823212624.db2.gz WDMAJSNIBBXPCO-PMACEKPBSA-N 1 0 379.504 4.484 20 0 GIADRO CC1CC[NH+]([C@@H](CNC(=O)CCc2ncc(C(C)(C)C)o2)c2ccccc2)CC1 ZINC000188250488 823209344 /nfs/dbraw/zinc/20/93/44/823209344.db2.gz PEEMVBOSTIUWJU-FQEVSTJZSA-N 1 0 397.563 4.494 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)NC(=O)NCCCC[NH+]2CCC(C)CC2)cc1 ZINC000121578723 823209763 /nfs/dbraw/zinc/20/97/63/823209763.db2.gz SJODQKSTPIJOBZ-IBGZPJMESA-N 1 0 397.567 4.053 20 0 GIADRO CCOc1cc(C[NH2+][C@H]2CSc3ccc(Br)cc32)ccc1O ZINC000459522349 823210394 /nfs/dbraw/zinc/21/03/94/823210394.db2.gz RUBHSZNXGINIIU-AWEZNQCLSA-N 1 0 380.307 4.490 20 0 GIADRO O=C(c1ccccc1)N1CCC(C[NH2+]Cc2cscc2C(F)(F)F)CC1 ZINC000571630019 823211950 /nfs/dbraw/zinc/21/19/50/823211950.db2.gz CJYLWCUQVKLDCX-UHFFFAOYSA-N 1 0 382.451 4.409 20 0 GIADRO C[C@H](c1nc(-c2cccs2)no1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000571630267 823212000 /nfs/dbraw/zinc/21/20/00/823212000.db2.gz KKODJPLXTFSSEW-NZSAHSFTSA-N 1 0 394.544 4.313 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)Nc1ccc(-c2csnn2)cc1 ZINC000056786538 823213047 /nfs/dbraw/zinc/21/30/47/823213047.db2.gz LCNFPRIQPALSSO-SFHVURJKSA-N 1 0 397.504 4.147 20 0 GIADRO C[C@@H](NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)[C@H](C)c1ccccc1 ZINC000176466488 823213712 /nfs/dbraw/zinc/21/37/12/823213712.db2.gz OWXOQAKMCOGAMZ-VQTJNVASSA-N 1 0 379.548 4.485 20 0 GIADRO O=C(C[NH2+][C@H](c1ccccc1)C1(CO)CCCC1)Nc1ccc(F)cc1Cl ZINC000459537253 823214719 /nfs/dbraw/zinc/21/47/19/823214719.db2.gz TURKDVSXMMOADL-HXUWFJFHSA-N 1 0 390.886 4.301 20 0 GIADRO C[C@]1(C[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)CCO[C@H]1C1CC1 ZINC000459539341 823215392 /nfs/dbraw/zinc/21/53/92/823215392.db2.gz TUFDKLBKLXUCTB-XZOQPEGZSA-N 1 0 380.536 4.355 20 0 GIADRO O[C@H]1[C@@H](C[NH2+]Cc2c(OC(F)F)ccc3ccccc32)CCC12CCOCC2 ZINC000571659594 823215473 /nfs/dbraw/zinc/21/54/73/823215473.db2.gz ZRPMFGUQWKNXNV-UZLBHIALSA-N 1 0 391.458 4.099 20 0 GIADRO C[NH+](C)CCC1CCN(C(=O)N[C@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000056799554 823215689 /nfs/dbraw/zinc/21/56/89/823215689.db2.gz UVBUYIVDPBGUCB-HSZRJFAPSA-N 1 0 379.548 4.344 20 0 GIADRO Cc1ccc(CC(=O)Nc2cc(C[NH+](C)C)ccc2C)cc1Br ZINC000188296824 823215882 /nfs/dbraw/zinc/21/58/82/823215882.db2.gz KHBRSVZISCPXOS-UHFFFAOYSA-N 1 0 375.310 4.309 20 0 GIADRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)N[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000571663472 823216182 /nfs/dbraw/zinc/21/61/82/823216182.db2.gz WTJOMVNXZXCZOZ-YJBOKZPZSA-N 1 0 393.890 4.092 20 0 GIADRO Cc1ccccc1[C@@H](OC[C@H](O)C[N@H+](C)CCc1ccccn1)c1ccccc1 ZINC000121625517 823218217 /nfs/dbraw/zinc/21/82/17/823218217.db2.gz CUEUOMSUVNGRIC-NOZRDPDXSA-N 1 0 390.527 4.031 20 0 GIADRO O=C(NC[C@@H](NCc1ccccc1)c1ccco1)c1ccc(-n2cccc2)cc1 ZINC000571666475 823216405 /nfs/dbraw/zinc/21/64/05/823216405.db2.gz FMMTWMVBMXAKHU-JOCHJYFZSA-N 1 0 385.467 4.331 20 0 GIADRO CC(C)[C@@H]([NH2+]C/C=C/c1ccc(OCc2ccccc2)cc1)c1nncn1C ZINC000459543783 823216561 /nfs/dbraw/zinc/21/65/61/823216561.db2.gz MLRXTTSONOPNSN-HWWNHIDJSA-N 1 0 376.504 4.394 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)c1 ZINC000121617418 823216971 /nfs/dbraw/zinc/21/69/71/823216971.db2.gz GOIQMVVQANZQPY-GJZGRUSLSA-N 1 0 380.492 4.341 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)c2ccc(Br)cc2)o1 ZINC000056824936 823219601 /nfs/dbraw/zinc/21/96/01/823219601.db2.gz QNYPVYWGIBHOPM-ZDUSSCGKSA-N 1 0 379.298 4.375 20 0 GIADRO OC[C@@H]1C[N@H+](Cc2cccc(O)c2Br)C[C@H]1c1ccc(Cl)cc1 ZINC000459558615 823220047 /nfs/dbraw/zinc/22/00/47/823220047.db2.gz GQWZYWDCUMNHJL-HOCLYGCPSA-N 1 0 396.712 4.016 20 0 GIADRO COCc1cc(CN(CCC[NH+](C)C)Cc2ccc(Cl)c(Cl)c2)no1 ZINC000459558005 823220092 /nfs/dbraw/zinc/22/00/92/823220092.db2.gz KOADQPWPQJRALL-UHFFFAOYSA-N 1 0 386.323 4.082 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1C[N@@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000459563304 823220693 /nfs/dbraw/zinc/22/06/93/823220693.db2.gz CTKMLRKQZOTZMB-JOCHJYFZSA-N 1 0 399.535 4.148 20 0 GIADRO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H](C)c2ccc(Cl)cc2)c(OC)c1 ZINC000121643033 823221364 /nfs/dbraw/zinc/22/13/64/823221364.db2.gz FAZWRZHZAGVORY-KBPBESRZSA-N 1 0 376.884 4.425 20 0 GIADRO COc1ccc(-c2ccccc2C)cc1C[N@@H+]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000459565066 823221646 /nfs/dbraw/zinc/22/16/46/823221646.db2.gz RFWFIZZWTGGIJG-HXUWFJFHSA-N 1 0 378.516 4.115 20 0 GIADRO Cc1nc2sccn2c(=O)c1CC[N@@H+]1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000459571577 823223214 /nfs/dbraw/zinc/22/32/14/823223214.db2.gz GPYRTGUNGOPUQM-LJQANCHMSA-N 1 0 379.529 4.224 20 0 GIADRO O[C@@H]1CC[C@@H]2C[N@H+](Cc3cn(C4CCCC4)nc3-c3ccccn3)CC[C@H]2C1 ZINC000459570626 823222710 /nfs/dbraw/zinc/22/27/10/823222710.db2.gz MPZXISQFDWKNLZ-WAOWUJCRSA-N 1 0 380.536 4.043 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)c2ccccc2OCc2noc(C)n2)cc1 ZINC000188348900 823223513 /nfs/dbraw/zinc/22/35/13/823223513.db2.gz UKYWDEPJZGRJIO-UHFFFAOYSA-N 1 0 394.475 4.051 20 0 GIADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@H](C)c2ccc(OC(C)C)cc2)o1 ZINC000056849170 823223786 /nfs/dbraw/zinc/22/37/86/823223786.db2.gz BSNASFACPPQMBP-GOSISDBHSA-N 1 0 387.524 4.210 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1C[NH2+]Cc1c(F)cccc1-n1cccn1 ZINC000459575430 823223940 /nfs/dbraw/zinc/22/39/40/823223940.db2.gz TWEUNKYHBWXNEI-UHFFFAOYSA-N 1 0 381.480 4.196 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(CSc3nccn3C)o2)cc1 ZINC000188351308 823224137 /nfs/dbraw/zinc/22/41/37/823224137.db2.gz IORYLRUNHLKJHX-UHFFFAOYSA-N 1 0 398.532 4.400 20 0 GIADRO C[C@H](NC(=O)NCc1ccc(C[NH+](C)C)cc1)c1ccccc1C(F)(F)F ZINC000056853231 823224122 /nfs/dbraw/zinc/22/41/22/823224122.db2.gz YBQSGPYESRFGOJ-AWEZNQCLSA-N 1 0 379.426 4.327 20 0 GIADRO Cc1cc(NC(=O)NCC(C)(C)c2ccc(C)cc2C)n(C2CC[NH+](C)CC2)n1 ZINC000571720222 823224579 /nfs/dbraw/zinc/22/45/79/823224579.db2.gz ZQHVEOSUNGRHCQ-UHFFFAOYSA-N 1 0 397.567 4.174 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(C)(C)c1ccccc1Br ZINC000409462710 823225203 /nfs/dbraw/zinc/22/52/03/823225203.db2.gz HMOHLTJMUPSACB-INIZCTEOSA-N 1 0 395.385 4.498 20 0 GIADRO CCOc1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)cc(Br)c1O ZINC000459585654 823225342 /nfs/dbraw/zinc/22/53/42/823225342.db2.gz VDMXHMVHVIRPHL-DJIMGWMZSA-N 1 0 398.341 4.069 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CCCNC(=O)[C@H]2CC=CCC2)cc1 ZINC000409463160 823225359 /nfs/dbraw/zinc/22/53/59/823225359.db2.gz CZRQOXKMCOEXOE-CTNGQTDRSA-N 1 0 397.563 4.252 20 0 GIADRO CCSc1cccc(Br)c1NC(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000571724885 823225673 /nfs/dbraw/zinc/22/56/73/823225673.db2.gz RKYXFBMFIDELQA-NEPJUHHUSA-N 1 0 386.359 4.117 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)Nc2ccc(C(F)(F)F)nc2C)CC1 ZINC000571743250 823228467 /nfs/dbraw/zinc/22/84/67/823228467.db2.gz IZELOYNAECHMNE-UHFFFAOYSA-N 1 0 386.462 4.385 20 0 GIADRO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3cscc3C(F)(F)F)C2)nc1 ZINC000571728608 823226365 /nfs/dbraw/zinc/22/63/65/823226365.db2.gz UKVYKPMYDIFEDB-CYBMUJFWSA-N 1 0 383.439 4.321 20 0 GIADRO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459597674 823227196 /nfs/dbraw/zinc/22/71/96/823227196.db2.gz OUSDMQWZDTUGLQ-UHFFFAOYSA-N 1 0 392.551 4.452 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)c2sc(-c3ncccn3)nc2C)cc1 ZINC000188370278 823227885 /nfs/dbraw/zinc/22/78/85/823227885.db2.gz OPKSJBQBXHWBIR-UHFFFAOYSA-N 1 0 381.505 4.003 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2ccc(-c3cnco3)cc2)CC1 ZINC000056886375 823227914 /nfs/dbraw/zinc/22/79/14/823227914.db2.gz UZGSIGJSWLWWOO-UHFFFAOYSA-N 1 0 375.472 4.044 20 0 GIADRO c1coc([C@@H](C[NH2+]Cc2ccccc2OCc2ccncc2)N2CCCC2)c1 ZINC000409473817 823228897 /nfs/dbraw/zinc/22/88/97/823228897.db2.gz GBCMBQZJLYUOKH-OAQYLSRUSA-N 1 0 377.488 4.180 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)C(C)(C)NC(=O)Nc2ccccc2)cc1 ZINC000188374636 823228938 /nfs/dbraw/zinc/22/89/38/823228938.db2.gz UXZKMKWJFZGZID-UHFFFAOYSA-N 1 0 382.508 4.067 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)N[C@@H](c2ccc(OC)cc2)C2CC2)CC1 ZINC000121698674 823232802 /nfs/dbraw/zinc/23/28/02/823232802.db2.gz MSYINXFMBPCEBJ-JOCHJYFZSA-N 1 0 387.568 4.300 20 0 GIADRO Cc1cc(NC(=O)c2ccsc2C)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000571749715 823229614 /nfs/dbraw/zinc/22/96/14/823229614.db2.gz TWCBUSIRMSSQGI-SFHVURJKSA-N 1 0 380.517 4.261 20 0 GIADRO C[C@H](C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)c1ccc(C(F)(F)F)cc1 ZINC000409477188 823229880 /nfs/dbraw/zinc/22/98/80/823229880.db2.gz ILEHASBTIFOLNF-UGSOOPFHSA-N 1 0 382.401 4.367 20 0 GIADRO O=C(CC[NH2+]Cc1ccc(COCC(F)(F)F)cc1)Nc1cccc(F)c1 ZINC000571754027 823230338 /nfs/dbraw/zinc/23/03/38/823230338.db2.gz CVUBEVOETUMIHK-UHFFFAOYSA-N 1 0 384.373 4.023 20 0 GIADRO FC(F)(F)[C@@H]1CC[N@H+](CCOc2ccccc2Cl)CC12CCOCC2 ZINC000459631771 823233003 /nfs/dbraw/zinc/23/30/03/823233003.db2.gz BYELGXNHZYZSPW-MRXNPFEDSA-N 1 0 377.834 4.400 20 0 GIADRO COc1ccc(-c2ccc(CNC(=O)N(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)s2)cc1 ZINC000176522872 823228556 /nfs/dbraw/zinc/22/85/56/823228556.db2.gz UPSGAECPDPABAJ-NVXWUHKLSA-N 1 0 387.549 4.048 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCC[C@H](N2CCCC2=O)C1)c1ccc(Oc2ccccc2)cn1 ZINC000571778948 823233299 /nfs/dbraw/zinc/23/32/99/823233299.db2.gz ZYVWVBOHOXNXPK-OTWHNJEPSA-N 1 0 379.504 4.458 20 0 GIADRO C[C@H](CCCc1cccnc1)[NH2+][C@@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000459634285 823233882 /nfs/dbraw/zinc/23/38/82/823233882.db2.gz FKLYHHVPTSCLBN-CABCVRRESA-N 1 0 379.426 4.428 20 0 GIADRO CCOc1cc(CN2CCC([NH+](CC)CC)CC2)ccc1OCC(F)(F)F ZINC000121705678 823234516 /nfs/dbraw/zinc/23/45/16/823234516.db2.gz MPATYLXDVXXKBQ-UHFFFAOYSA-N 1 0 388.474 4.333 20 0 GIADRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]Cc1ccc(N2CCOC2=O)cc1 ZINC000188403156 823234893 /nfs/dbraw/zinc/23/48/93/823234893.db2.gz CGIBDCDGXZQNDY-AWEZNQCLSA-N 1 0 389.293 4.127 20 0 GIADRO Cc1oc(-c2cccs2)nc1CC(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000176550589 823235106 /nfs/dbraw/zinc/23/51/06/823235106.db2.gz QZCVWQDLXPFBMA-UHFFFAOYSA-N 1 0 389.565 4.128 20 0 GIADRO Cc1ccc(-c2c[nH]cc2C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)s1 ZINC000188407711 823235869 /nfs/dbraw/zinc/23/58/69/823235869.db2.gz ANXAIKOTSOYNAD-UHFFFAOYSA-N 1 0 394.544 4.446 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl)c1nc2c(s1)CCC2 ZINC000459640732 823235999 /nfs/dbraw/zinc/23/59/99/823235999.db2.gz XQXIVQOSQDEYDW-ZYHUDNBSSA-N 1 0 387.332 4.029 20 0 GIADRO C[C@H]([NH2+]CC[S@@](=O)c1cc(Cl)ccc1Cl)c1nc2c(s1)CCC2 ZINC000459642762 823236358 /nfs/dbraw/zinc/23/63/58/823236358.db2.gz ZPSGEJSSXHSSDM-SDWAUSNYSA-N 1 0 389.373 4.397 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CCc2cccc(Br)c2)cc1NC(C)=O ZINC000459643870 823236755 /nfs/dbraw/zinc/23/67/55/823236755.db2.gz OSLIIQLAMHJPHG-CYBMUJFWSA-N 1 0 391.309 4.309 20 0 GIADRO CC1CC[NH+](C2CCC(NC(=O)c3ccc4c(c3)CCCCC4=O)CC2)CC1 ZINC000571814485 823238732 /nfs/dbraw/zinc/23/87/32/823238732.db2.gz MWAGAKKPEVOXQX-UHFFFAOYSA-N 1 0 382.548 4.369 20 0 GIADRO FC(F)(F)[C@H]1CC[N@H+](Cc2cnc(-c3ccccn3)s2)CC12CCOCC2 ZINC000459652132 823239513 /nfs/dbraw/zinc/23/95/13/823239513.db2.gz QHSPXOQDDXYREO-INIZCTEOSA-N 1 0 397.466 4.386 20 0 GIADRO C[C@@H](CCCc1cccnc1)[NH2+]CC(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000459651561 823239573 /nfs/dbraw/zinc/23/95/73/823239573.db2.gz ZJWMKORIVZCEQY-HNNXBMFYSA-N 1 0 398.507 4.284 20 0 GIADRO CCOc1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)ccc1OC ZINC000459652396 823239887 /nfs/dbraw/zinc/23/98/87/823239887.db2.gz QNKWODDYIWNOSZ-GOSISDBHSA-N 1 0 387.442 4.275 20 0 GIADRO FC(F)(F)[C@H]1CC[N@H+](Cc2cnn(Cc3ccccc3)c2)CC12CCOCC2 ZINC000459652487 823239916 /nfs/dbraw/zinc/23/99/16/823239916.db2.gz BXVMXUGJKFHATH-IBGZPJMESA-N 1 0 393.453 4.112 20 0 GIADRO CC(C)n1ncc2cc(C[N@@H+]3CC[C@H](C(F)(F)F)C4(CCOCC4)C3)cnc21 ZINC000459653831 823240245 /nfs/dbraw/zinc/24/02/45/823240245.db2.gz DMHMNAJXNZIKSZ-KRWDZBQOSA-N 1 0 396.457 4.193 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)C1(c2ccccc2F)CCCC1 ZINC000057028122 823240960 /nfs/dbraw/zinc/24/09/60/823240960.db2.gz VEZAVOWQQCRGDW-UHFFFAOYSA-N 1 0 380.507 4.418 20 0 GIADRO COc1ccc2c(c1)CCC[C@@H]2CC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000057030363 823240964 /nfs/dbraw/zinc/24/09/64/823240964.db2.gz SNULBOBBJSPAOI-NQIIRXRSSA-N 1 0 382.504 4.052 20 0 GIADRO CC(C)(C)OC(=O)CCCC[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459656710 823241607 /nfs/dbraw/zinc/24/16/07/823241607.db2.gz HMWYDFRSHVAQHQ-HNNXBMFYSA-N 1 0 379.463 4.179 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)Cc2c[nH]c3cc(F)ccc23)CC[N@@H+]1Cc1ccccc1 ZINC000176582802 823241712 /nfs/dbraw/zinc/24/17/12/823241712.db2.gz FVFSTJRZVIAVCE-UZLBHIALSA-N 1 0 379.479 4.019 20 0 GIADRO Cc1ccc(CN(Cc2ccco2)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)s1 ZINC000176582141 823241819 /nfs/dbraw/zinc/24/18/19/823241819.db2.gz XGKZVMBOLHITSA-DLBZAZTESA-N 1 0 375.538 4.234 20 0 GIADRO COc1ccccc1NC(=O)C[C@H](C)[NH2+]Cc1ccc(Br)c(C)c1 ZINC000459657428 823242058 /nfs/dbraw/zinc/24/20/58/823242058.db2.gz HWUWRKAQPWZKFT-AWEZNQCLSA-N 1 0 391.309 4.273 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(N3CCOC3=O)cc1)CCCS2 ZINC000188447291 823242128 /nfs/dbraw/zinc/24/21/28/823242128.db2.gz UPHGSFRUPWVVDK-LJQANCHMSA-N 1 0 384.501 4.369 20 0 GIADRO C[C@H]1C[C@@H](NC(=O)CCCc2nc3ccccc3[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000176582978 823242113 /nfs/dbraw/zinc/24/21/13/823242113.db2.gz YMZXXORWCHMZGV-ICSRJNTNSA-N 1 0 390.531 4.055 20 0 GIADRO COc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc(Oc2ccccc2)cn1 ZINC000571845372 823244360 /nfs/dbraw/zinc/24/43/60/823244360.db2.gz GHJAFELTPKUZBQ-UHFFFAOYSA-N 1 0 377.444 4.196 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)Nc2ccc(OC)c(SC)c2)CC1 ZINC000459663834 823244802 /nfs/dbraw/zinc/24/48/02/823244802.db2.gz YQLDZHDIYXWBOB-UHFFFAOYSA-N 1 0 379.570 4.393 20 0 GIADRO C[C@H](NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)c1ccc(-c2cccnc2)cc1 ZINC000176603463 823246388 /nfs/dbraw/zinc/24/63/88/823246388.db2.gz SMKVUQUKRCCQIA-WMZHIEFXSA-N 1 0 392.547 4.470 20 0 GIADRO CSC1(CNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2Cl)CC[NH+](C)CC1 ZINC000571853886 823246405 /nfs/dbraw/zinc/24/64/05/823246405.db2.gz NRPWTCSQZXUDHC-CABCVRRESA-N 1 0 387.376 4.041 20 0 GIADRO C[C@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)c1ccc(-c2cccnc2)cc1 ZINC000176607528 823247230 /nfs/dbraw/zinc/24/72/30/823247230.db2.gz MLEJJKTUCDPMOL-PGRDOPGGSA-N 1 0 378.520 4.079 20 0 GIADRO CC[C@@H]1C[C@H]([NH2+]C[C@@H](O)CO[C@H](c2ccccc2)c2ccc(C)cc2)CCO1 ZINC000571874707 823248678 /nfs/dbraw/zinc/24/86/78/823248678.db2.gz DQMGYWHCUGJKII-MOUTVQLLSA-N 1 0 383.532 4.009 20 0 GIADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1 ZINC000121782577 823250203 /nfs/dbraw/zinc/25/02/03/823250203.db2.gz WHKDPRAVZVWNDN-MEBBXXQBSA-N 1 0 384.332 4.459 20 0 GIADRO Cc1c(C[NH2+]C[C@@H]2[C@@H](c3ccccc3)C2(C)C)c(=O)n(-c2ccccc2)n1C ZINC000459685807 823250213 /nfs/dbraw/zinc/25/02/13/823250213.db2.gz FRROOOXHCXDGTL-FGZHOGPDSA-N 1 0 375.516 4.014 20 0 GIADRO COc1cc([C@@H](C)[NH2+]CC(C)(C)c2cccc(Cl)c2)ccc1S(C)(=O)=O ZINC000121788200 823251449 /nfs/dbraw/zinc/25/14/49/823251449.db2.gz NEQLQJJHRIKMJN-CQSZACIVSA-N 1 0 395.952 4.381 20 0 GIADRO COCc1cccc(C[NH2+][C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)c1 ZINC000176623462 823251521 /nfs/dbraw/zinc/25/15/21/823251521.db2.gz CBFNQWMCEPNVHC-INIZCTEOSA-N 1 0 399.844 4.269 20 0 GIADRO COc1cc(OC)c(C[N@@H+]2CCC[C@H]2Cn2c(C)nc3ccccc32)c(OC)c1 ZINC000571905071 823252167 /nfs/dbraw/zinc/25/21/67/823252167.db2.gz ZOXNTOBOBWQCCV-KRWDZBQOSA-N 1 0 395.503 4.035 20 0 GIADRO C[C@@H](NC(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1)[C@@H]1CCCOC1 ZINC000571916886 823253405 /nfs/dbraw/zinc/25/34/05/823253405.db2.gz ATASGFUGTLOAHI-QZTJIDSGSA-N 1 0 391.581 4.201 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)N[C@H](CC(F)(F)F)c1ccccc1)c1cccs1 ZINC000057131379 823253467 /nfs/dbraw/zinc/25/34/67/823253467.db2.gz NHZJAZXJMZPYJK-CABCVRRESA-N 1 0 385.455 4.344 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000121798503 823253702 /nfs/dbraw/zinc/25/37/02/823253702.db2.gz XKSKPZLTZDLDOF-CVEARBPZSA-N 1 0 393.487 4.404 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1cc2c(s1)CCCCCC2 ZINC000057165815 823257779 /nfs/dbraw/zinc/25/77/79/823257779.db2.gz DYTLHMKNZBBFMF-UHFFFAOYSA-N 1 0 383.561 4.197 20 0 GIADRO CC(C)(Cc1cccc(Cl)c1)C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000176635239 823254321 /nfs/dbraw/zinc/25/43/21/823254321.db2.gz YWAJUHBCPGDRQB-UHFFFAOYSA-N 1 0 392.971 4.060 20 0 GIADRO OC[C@@]1(Cc2ccc(F)cc2)CC[N@H+](Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000571926013 823255395 /nfs/dbraw/zinc/25/53/95/823255395.db2.gz RLCXMKMEWQOIGP-LJQANCHMSA-N 1 0 385.376 4.411 20 0 GIADRO CC(C)c1ccc2cc(C(=O)NC3CC[NH+](Cc4ccncc4)CC3)[nH]c2c1 ZINC000057167564 823257921 /nfs/dbraw/zinc/25/79/21/823257921.db2.gz AZYWTAZMJPGXQA-UHFFFAOYSA-N 1 0 376.504 4.081 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)C[C@@H](C)n1ccnc1)c1ccc(C(F)(F)F)cc1 ZINC000571928131 823255593 /nfs/dbraw/zinc/25/55/93/823255593.db2.gz BYLXVZMECWAXNJ-CRAIPNDOSA-N 1 0 396.457 4.052 20 0 GIADRO COc1cccc([C@@H]2CCCN2C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000057153381 823255833 /nfs/dbraw/zinc/25/58/33/823255833.db2.gz XINVQYRHXDSZOK-GMAHTHKFSA-N 1 0 378.516 4.271 20 0 GIADRO O=C(Nc1nc(-c2ccccn2)cs1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000057152395 823255858 /nfs/dbraw/zinc/25/58/58/823255858.db2.gz IXLQDKCPCPVPEN-QGZVFWFLSA-N 1 0 378.501 4.056 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)[C@H]2C[C@@H]2c2c(F)cccc2Cl)cc1F ZINC000121811487 823255974 /nfs/dbraw/zinc/25/59/74/823255974.db2.gz XMTQYDADVPVKME-GJZGRUSLSA-N 1 0 378.850 4.100 20 0 GIADRO O=C(Nc1cccc(-n2cc[nH]c2=S)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000057155776 823256688 /nfs/dbraw/zinc/25/66/88/823256688.db2.gz OUTZBTYZFHJSMZ-UHFFFAOYSA-N 1 0 392.528 4.386 20 0 GIADRO CCCC[NH+]1CCC(NC(=O)C(Cc2ccccc2)Cc2ccccc2)CC1 ZINC000409596176 823257341 /nfs/dbraw/zinc/25/73/41/823257341.db2.gz RRWMYTIAXXGUIM-UHFFFAOYSA-N 1 0 378.560 4.469 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)Cc1cccc(OCc2ccccn2)c1 ZINC000459736003 823258562 /nfs/dbraw/zinc/25/85/62/823258562.db2.gz GNDYJPGAASLWOY-UHFFFAOYSA-N 1 0 381.545 4.286 20 0 GIADRO COc1ccc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)cc1SC ZINC000459733431 823258569 /nfs/dbraw/zinc/25/85/69/823258569.db2.gz URUJLPBAVYHRTC-KRWDZBQOSA-N 1 0 399.560 4.403 20 0 GIADRO O=C(c1ccc(C[N@H+]2CCCCC[C@H]2C[C@@H](O)c2ccco2)cc1)N1CCCC1 ZINC000121851510 823263015 /nfs/dbraw/zinc/26/30/15/823263015.db2.gz KJFPSWUHKDKAHO-FCHUYYIVSA-N 1 0 396.531 4.384 20 0 GIADRO CCN(CCC[NH+](C)C)C(=O)NCc1ccc(-c2nc3ccccc3s2)o1 ZINC000188534691 823259025 /nfs/dbraw/zinc/25/90/25/823259025.db2.gz YRBQLCBCQFSZMB-UHFFFAOYSA-N 1 0 386.521 4.040 20 0 GIADRO CC(C)c1nnc(CN[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)o1 ZINC000459741538 823259073 /nfs/dbraw/zinc/25/90/73/823259073.db2.gz AJCFRXKNOJZXKL-LEWJYISDSA-N 1 0 394.494 4.090 20 0 GIADRO O=C(NCCC[NH+]1CCCCCC1)Nc1cccc(-c2noc(C3CC3)n2)c1 ZINC000176657000 823259172 /nfs/dbraw/zinc/25/91/72/823259172.db2.gz DJDPPVGSDNXFOV-UHFFFAOYSA-N 1 0 383.496 4.002 20 0 GIADRO CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000459772902 823263252 /nfs/dbraw/zinc/26/32/52/823263252.db2.gz UWQPPOZYESBKDX-QRVBRYPASA-N 1 0 375.310 4.285 20 0 GIADRO Brc1cncc([C@@H]2OCC[C@H]2[NH2+]Cc2cccc3cccnc32)c1 ZINC000459751714 823260315 /nfs/dbraw/zinc/26/03/15/823260315.db2.gz BFQPTJJCNZGNQW-MJGOQNOKSA-N 1 0 384.277 4.012 20 0 GIADRO O=C(C[NH2+]C1(C2CCC2)CCC1)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000459752127 823260735 /nfs/dbraw/zinc/26/07/35/823260735.db2.gz AYWRVNITBLKQDQ-UHFFFAOYSA-N 1 0 383.517 4.251 20 0 GIADRO C[C@H](CCc1ccsc1)[NH2+][C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000459768387 823262328 /nfs/dbraw/zinc/26/23/28/823262328.db2.gz RBXJKYGVNMHCCA-JLZZUVOBSA-N 1 0 381.339 4.347 20 0 GIADRO CCC[C@@H]([NH2+]CC(=O)Nc1c(F)cc(F)cc1Br)C1CCC1 ZINC000459768441 823262433 /nfs/dbraw/zinc/26/24/33/823262433.db2.gz AZXJYUNSAGSBHV-CQSZACIVSA-N 1 0 375.257 4.224 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)C1(Cc2ccccc2F)CC1 ZINC000188563599 823262403 /nfs/dbraw/zinc/26/24/03/823262403.db2.gz ZUCXSTBTWMMOEO-UHFFFAOYSA-N 1 0 395.522 4.309 20 0 GIADRO COCC[NH+]1CCC(NC(=O)N([C@H](C)c2ccc3ccccc3c2)C2CC2)CC1 ZINC000121848804 823262520 /nfs/dbraw/zinc/26/25/20/823262520.db2.gz INMDPGOQDBXXRN-GOSISDBHSA-N 1 0 395.547 4.186 20 0 GIADRO CCS(=O)(=O)c1c(Cl)cccc1CNc1ccc(C[NH+](C)C)c(C)c1 ZINC000459769397 823262545 /nfs/dbraw/zinc/26/25/45/823262545.db2.gz QUSPYHAFBQTZAK-UHFFFAOYSA-N 1 0 380.941 4.116 20 0 GIADRO O=C(C[NH2+]C1(C2CCC2)CCC1)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000459771353 823262694 /nfs/dbraw/zinc/26/26/94/823262694.db2.gz NHCULEBBTPFVMQ-QGZVFWFLSA-N 1 0 383.517 4.331 20 0 GIADRO FC(F)(F)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCO[C@H]2c2cncc(Br)c2)C1 ZINC000459775573 823263495 /nfs/dbraw/zinc/26/34/95/823263495.db2.gz XJFKNNYYXFVHBI-NGFQHRJXSA-N 1 0 393.247 4.385 20 0 GIADRO COc1ccc(NC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1SC ZINC000459775471 823263616 /nfs/dbraw/zinc/26/36/16/823263616.db2.gz QHNJXHILFSZFHE-SFHVURJKSA-N 1 0 399.560 4.403 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CCCC(F)(F)C2)CC[N@@H+]1Cc1ccccc1 ZINC000409625104 823264869 /nfs/dbraw/zinc/26/48/69/823264869.db2.gz OGRHNGBIZHXBHG-NEWSRXKRSA-N 1 0 379.495 4.164 20 0 GIADRO O=C(Nc1ccc(F)cc1OCC1CC1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000571982150 823265272 /nfs/dbraw/zinc/26/52/72/823265272.db2.gz RSEHWIHUWJPKIA-APWZRJJASA-N 1 0 375.488 4.001 20 0 GIADRO Cc1ccc(Oc2ccccc2)c(NC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)c1 ZINC000571992076 823266424 /nfs/dbraw/zinc/26/64/24/823266424.db2.gz YCFHIZPGEDPRME-GOSISDBHSA-N 1 0 376.460 4.161 20 0 GIADRO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+](C)C[C@@H](C)C(=O)OC(C)(C)C ZINC000459807644 823266588 /nfs/dbraw/zinc/26/65/88/823266588.db2.gz NUDWVXWMTREGMQ-SJORKVTESA-N 1 0 376.541 4.355 20 0 GIADRO C[C@H](NC(=O)NC[C@H]1CCCC(F)(F)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000409630743 823267024 /nfs/dbraw/zinc/26/70/24/823267024.db2.gz HIOLMJDFJKWDQR-WDSOQIARSA-N 1 0 379.495 4.022 20 0 GIADRO Cc1nc2ccc(C(=O)Nc3nc4c(s3)C[N@@H+](C(C)(C)C)CC4)cc2nc1C ZINC000571995029 823267248 /nfs/dbraw/zinc/26/72/48/823267248.db2.gz HHSCBKAEASZOHH-UHFFFAOYSA-N 1 0 395.532 4.112 20 0 GIADRO CC1CCC(OC2CCN(C(=O)[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000572012867 823269252 /nfs/dbraw/zinc/26/92/52/823269252.db2.gz XWBLVUCIAKYEEK-IRQNMHNUSA-N 1 0 384.564 4.095 20 0 GIADRO CC(C)OCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000176687438 823268039 /nfs/dbraw/zinc/26/80/39/823268039.db2.gz GYZRRMAHGZWZJG-DLBZAZTESA-N 1 0 399.362 4.103 20 0 GIADRO CC(C)OCC[NH+]1CCC(NC(=O)c2cccc(Oc3ccccc3)c2)CC1 ZINC000176689307 823268721 /nfs/dbraw/zinc/26/87/21/823268721.db2.gz OPLCEDYSLHBLPP-UHFFFAOYSA-N 1 0 382.504 4.098 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1NC(C)=O ZINC000121882175 823269621 /nfs/dbraw/zinc/26/96/21/823269621.db2.gz ASKVYNCIUOFPJS-HUUCEWRRSA-N 1 0 395.503 4.414 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)NC[C@@H]2CCCC(F)(F)C2)CC1 ZINC000409638575 823269713 /nfs/dbraw/zinc/26/97/13/823269713.db2.gz NYAWVKHFTPMRHX-QGZVFWFLSA-N 1 0 379.495 4.084 20 0 GIADRO CC(C)OCC[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000176695422 823269917 /nfs/dbraw/zinc/26/99/17/823269917.db2.gz YZSGPFLZXOIODB-QZTJIDSGSA-N 1 0 399.362 4.103 20 0 GIADRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc(-c2ccco2)nn1-c1ccccc1 ZINC000004707953 817533075 /nfs/dbraw/zinc/53/30/75/817533075.db2.gz JBDKATJPPZFENS-SFHVURJKSA-N 1 0 394.519 4.373 20 0 GIADRO CC(C)OCC[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2Cl)CC1 ZINC000176698410 823270444 /nfs/dbraw/zinc/27/04/44/823270444.db2.gz XZSWYTJEXNNUJZ-IAGOWNOFSA-N 1 0 399.362 4.103 20 0 GIADRO CC(C)[N@H+](CCc1nccs1)Cc1cccc(I)c1 ZINC000572023053 823270464 /nfs/dbraw/zinc/27/04/64/823270464.db2.gz HASQGVKLUWJGHA-UHFFFAOYSA-N 1 0 386.302 4.201 20 0 GIADRO C[C@@H](Oc1ccccc1NC(=O)NCC1(C[NH+](C)C)CCCC1)C(F)(F)F ZINC000572022059 823270502 /nfs/dbraw/zinc/27/05/02/823270502.db2.gz JFPMELPZPMEZDG-CQSZACIVSA-N 1 0 387.446 4.260 20 0 GIADRO C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)c3cnn([C@@H]4CCC[NH2+]C4)c3)c2)C1 ZINC000572026472 823271157 /nfs/dbraw/zinc/27/11/57/823271157.db2.gz KFSJVYYFZBHTPE-ZPMCFJSWSA-N 1 0 396.535 4.155 20 0 GIADRO Cc1cc(SC2CCCCC2)ccc1NC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000572028209 823271475 /nfs/dbraw/zinc/27/14/75/823271475.db2.gz IZSNBAAYOQVMFS-MRXNPFEDSA-N 1 0 399.564 4.188 20 0 GIADRO Cn1c2ccc(C(=O)Nc3ccc(CC[NH+]4CCCC4)cc3)cc2nc1C(F)F ZINC000409650173 823273795 /nfs/dbraw/zinc/27/37/95/823273795.db2.gz SRXLKIZNQZAVOU-UHFFFAOYSA-N 1 0 398.457 4.402 20 0 GIADRO CCCN(C(=O)CCc1nnc(C(C)C)o1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000176711023 823274338 /nfs/dbraw/zinc/27/43/38/823274338.db2.gz VZVRMRZAGBZSMB-HXUWFJFHSA-N 1 0 398.551 4.029 20 0 GIADRO CC1CC[NH+]([C@H](CNC(=O)c2csc([C@H]3CCCO3)n2)c2ccccc2)CC1 ZINC000121926637 823278605 /nfs/dbraw/zinc/27/86/05/823278605.db2.gz GHENPYORDZVMRU-WOJBJXKFSA-N 1 0 399.560 4.198 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)N1CCC[C@@H]1c1cccc(Cl)c1 ZINC000121934159 823279690 /nfs/dbraw/zinc/27/96/90/823279690.db2.gz CAIIPCDDGHBWDL-OAQYLSRUSA-N 1 0 398.938 4.246 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000121933967 823279814 /nfs/dbraw/zinc/27/98/14/823279814.db2.gz YKHNOTUVKQURKL-UHFFFAOYSA-N 1 0 398.938 4.074 20 0 GIADRO CC(C)c1csc(CNC(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000121909830 823275101 /nfs/dbraw/zinc/27/51/01/823275101.db2.gz CVEHMMKVSSEKQN-GOSISDBHSA-N 1 0 386.565 4.073 20 0 GIADRO C[C@H](NC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1)c1cccnc1 ZINC000057286043 823275789 /nfs/dbraw/zinc/27/57/89/823275789.db2.gz IMNPOMSHQZRJPJ-SFHVURJKSA-N 1 0 380.536 4.407 20 0 GIADRO Cc1c([C@H](C)NC(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)cnn1C ZINC000057285804 823275942 /nfs/dbraw/zinc/27/59/42/823275942.db2.gz JWAQNFZPMMRVAA-KRWDZBQOSA-N 1 0 397.567 4.053 20 0 GIADRO O=C(NCc1cccc(COCC(F)(F)F)c1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000121917297 823276815 /nfs/dbraw/zinc/27/68/15/823276815.db2.gz UNAMTTZIBKTENW-GOSISDBHSA-N 1 0 398.469 4.036 20 0 GIADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc(-n3ncc4ccccc43)cc2Cl)C1 ZINC000572064170 823276945 /nfs/dbraw/zinc/27/69/45/823276945.db2.gz ZCUWKCIEFLCWPE-INIZCTEOSA-N 1 0 396.922 4.139 20 0 GIADRO Cc1ccc(NC(=O)C2(C(F)F)CCCC2)cc1NC(=O)CN1CCCCC1 ZINC000572073076 823277982 /nfs/dbraw/zinc/27/79/82/823277982.db2.gz CMGIFAVFKZVALN-UHFFFAOYSA-N 1 0 393.478 4.183 20 0 GIADRO Cc1nc(CSc2ccc(C(=O)N3CCCC[C@@H]3[C@H](C)[NH3+])cc2)cs1 ZINC000121937151 823280748 /nfs/dbraw/zinc/28/07/48/823280748.db2.gz XLIPYUZERWMTFV-SCLBCKFNSA-N 1 0 375.563 4.086 20 0 GIADRO CCCNC(=O)c1cccc(C[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)c1 ZINC000121939098 823280996 /nfs/dbraw/zinc/28/09/96/823280996.db2.gz ZESVKZJSQOIYDX-QFIPXVFZSA-N 1 0 378.516 4.319 20 0 GIADRO FC(F)(F)c1ccc(C2(C[NH2+]C3CCN(Cc4cccnc4)CC3)CC2)cc1 ZINC000188657976 823281537 /nfs/dbraw/zinc/28/15/37/823281537.db2.gz JFULYLINSWEVNE-UHFFFAOYSA-N 1 0 389.465 4.386 20 0 GIADRO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC(C)(C)N1CCCCC1 ZINC000121941744 823281597 /nfs/dbraw/zinc/28/15/97/823281597.db2.gz LUHHHBSTTFPUCH-HNNXBMFYSA-N 1 0 385.474 4.277 20 0 GIADRO COc1ccc2c(C[N@@H+]3CCCCC[C@@H]3C[C@H](O)c3ccco3)cc(=O)oc2c1 ZINC000121950447 823283374 /nfs/dbraw/zinc/28/33/74/823283374.db2.gz QSMXODLNNVKMEW-XLIONFOSSA-N 1 0 397.471 4.263 20 0 GIADRO CCN(C(=O)NCc1cccc(OCC[NH+](C)C)c1)[C@@H](C)c1ccc(F)cc1 ZINC000121953016 823284075 /nfs/dbraw/zinc/28/40/75/823284075.db2.gz PHJXJQHJSZSKIN-KRWDZBQOSA-N 1 0 387.499 4.059 20 0 GIADRO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@@](C)(O)C1CCCCC1 ZINC000188675977 823284436 /nfs/dbraw/zinc/28/44/36/823284436.db2.gz PETQQGHWKVSGIU-IFXJQAMLSA-N 1 0 386.458 4.343 20 0 GIADRO COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000176761979 823286474 /nfs/dbraw/zinc/28/64/74/823286474.db2.gz XUCVGXQHCKEZKT-UHFFFAOYSA-N 1 0 386.801 4.193 20 0 GIADRO CC[C@H](NC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)c1cccs1 ZINC000460111659 823286755 /nfs/dbraw/zinc/28/67/55/823286755.db2.gz SAUFDPKJIJZDHD-AQNXPRMDSA-N 1 0 383.561 4.363 20 0 GIADRO C[NH+](C)CC1(C(=O)N2CCC(Oc3ccccc3Cl)CC2)CCCCC1 ZINC000460112161 823286780 /nfs/dbraw/zinc/28/67/80/823286780.db2.gz HSEOOWDGGWJCRC-UHFFFAOYSA-N 1 0 378.944 4.222 20 0 GIADRO O=C(Cc1csc(-c2ccc(Cl)s2)n1)N1CC[NH+](C2CCCC2)CC1 ZINC000057386146 823286956 /nfs/dbraw/zinc/28/69/56/823286956.db2.gz LFERUDISIPUUOX-UHFFFAOYSA-N 1 0 395.981 4.154 20 0 GIADRO CC[C@H](C[C@@H](C)CC)[NH2+]C1CCN(c2ccc(S(=O)(=O)CC)cc2)CC1 ZINC000122001410 823291353 /nfs/dbraw/zinc/29/13/53/823291353.db2.gz JUHCOZVTKASOJH-ZWKOTPCHSA-N 1 0 380.598 4.253 20 0 GIADRO O=C(NCC[C@H]1CCC[NH2+]C1)Nc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000572129718 823287534 /nfs/dbraw/zinc/28/75/34/823287534.db2.gz CVOSPKWTTPOMGJ-QGZVFWFLSA-N 1 0 394.544 4.398 20 0 GIADRO COCC[C@H](NC(=O)Nc1ccc2c(c1)C[NH2+]C2)c1ccc(Cl)c(Cl)c1 ZINC000572131339 823287842 /nfs/dbraw/zinc/28/78/42/823287842.db2.gz UPTREECMAJNGEE-SFHVURJKSA-N 1 0 394.302 4.496 20 0 GIADRO Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188697697 823288057 /nfs/dbraw/zinc/28/80/57/823288057.db2.gz ICYAKSAFSMWNQA-UHFFFAOYSA-N 1 0 391.418 4.157 20 0 GIADRO C[C@H](CNC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)c1ccc(F)cc1 ZINC000460122067 823288718 /nfs/dbraw/zinc/28/87/18/823288718.db2.gz WTLZLUIEAOKRIH-STZQEDGTSA-N 1 0 395.522 4.093 20 0 GIADRO CCS(=O)(=O)c1ccc(N2CCC([NH2+][C@H]3CCCC[C@@H]3C(C)C)CC2)cc1 ZINC000121984806 823288805 /nfs/dbraw/zinc/28/88/05/823288805.db2.gz KPDLQYGZNHHYOA-YADHBBJMSA-N 1 0 392.609 4.253 20 0 GIADRO CCC[N@H+](CC)Cc1ccc(C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)cc1 ZINC000409724899 823291566 /nfs/dbraw/zinc/29/15/66/823291566.db2.gz ZPVOVUHFATWQSX-QFIPXVFZSA-N 1 0 384.495 4.271 20 0 GIADRO CCN(C(=O)Nc1ccc2c(c1)C(=O)CCC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000460124335 823289236 /nfs/dbraw/zinc/28/92/36/823289236.db2.gz JZDUCVGCMNUWLA-NRFANRHFSA-N 1 0 391.515 4.334 20 0 GIADRO Cc1nc(CNC(=O)C2(C[NH+](C)C)CCCCC2)oc1-c1ccc(Cl)cc1 ZINC000460133947 823291883 /nfs/dbraw/zinc/29/18/83/823291883.db2.gz PGGMGWUONPQHQM-UHFFFAOYSA-N 1 0 389.927 4.432 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+]Cc2cc(=O)oc3cc(O)ccc23)cc1OCC ZINC000007266820 817807295 /nfs/dbraw/zinc/80/72/95/817807295.db2.gz GJTVJGXFUBOAFB-CQSZACIVSA-N 1 0 383.444 4.147 20 0 GIADRO FC(F)(F)Oc1ccc(NC(=S)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000007368789 817825711 /nfs/dbraw/zinc/82/57/11/817825711.db2.gz HAOAVENROXPEQI-MRXNPFEDSA-N 1 0 395.450 4.146 20 0 GIADRO CO[C@@H]1CCN(Cc2ccc(-c3cccc(Br)c3)s2)[C@@H](C[NH3+])C1 ZINC000572158480 823291779 /nfs/dbraw/zinc/29/17/79/823291779.db2.gz TZNDGHPZHQZMHJ-HZPDHXFCSA-N 1 0 395.366 4.116 20 0 GIADRO CCS(=O)(=O)c1ccc(N2CCC([NH2+][C@@H]3CCc4ccc(C)cc43)CC2)cc1 ZINC000122002546 823291216 /nfs/dbraw/zinc/29/12/16/823291216.db2.gz JUGDZCBSJWIEGW-HSZRJFAPSA-N 1 0 398.572 4.035 20 0 GIADRO C[C@@H]1CCCC[C@H]1NC(=S)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000007402991 817831326 /nfs/dbraw/zinc/83/13/26/817831326.db2.gz HRMIECWPUPSRGR-DNVCBOLYSA-N 1 0 380.001 4.347 20 0 GIADRO CCN(C(=O)Nc1cccc(OC(F)F)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000460136298 823292778 /nfs/dbraw/zinc/29/27/78/823292778.db2.gz XZAKYLYNMGCJCC-GOSISDBHSA-N 1 0 389.446 4.416 20 0 GIADRO COc1ccc(Cl)cc1CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000007448934 817844036 /nfs/dbraw/zinc/84/40/36/817844036.db2.gz AYMFMYYCSTWZNV-UHFFFAOYSA-N 1 0 386.923 4.193 20 0 GIADRO COc1cccc2[nH]cc(Cc3noc(-c4ccc(C[NH+]5CCCC5)cc4)n3)c21 ZINC000572163757 823293055 /nfs/dbraw/zinc/29/30/55/823293055.db2.gz ZTFSJOLBYUDSAI-UHFFFAOYSA-N 1 0 388.471 4.413 20 0 GIADRO C[N@@H+]1CCC[C@@H]2CN(c3ccnc4c(Br)ccc(F)c34)CC[C@@H]21 ZINC000409731284 823293152 /nfs/dbraw/zinc/29/31/52/823293152.db2.gz YSLZLOBLVUTZCK-DOMZBBRYSA-N 1 0 378.289 4.057 20 0 GIADRO C[NH+](C)CC1(C(=O)N[C@H](c2cccc(Cl)c2)c2ccccn2)CCCCC1 ZINC000460137361 823293193 /nfs/dbraw/zinc/29/31/93/823293193.db2.gz XNHICZPSTGYCLP-HXUWFJFHSA-N 1 0 385.939 4.453 20 0 GIADRO COc1ccc(C2=NN(C(=O)C[NH+]3CCCCCCC3)[C@@H](c3ccco3)C2)cc1 ZINC000007486723 817852628 /nfs/dbraw/zinc/85/26/28/817852628.db2.gz SYADWIDVGRTKKQ-OAQYLSRUSA-N 1 0 395.503 4.232 20 0 GIADRO COc1ccc(/C=C/C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000007492032 817853924 /nfs/dbraw/zinc/85/39/24/817853924.db2.gz ALHBHBFAVDGGJP-IZZDOVSWSA-N 1 0 384.907 4.143 20 0 GIADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N[C@@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000460138929 823293871 /nfs/dbraw/zinc/29/38/71/823293871.db2.gz MMHMIENRKFAQPW-KZULUSFZSA-N 1 0 382.335 4.228 20 0 GIADRO O=C(Cc1cncn1Cc1ccccc1)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000572169561 823294012 /nfs/dbraw/zinc/29/40/12/823294012.db2.gz YMOBNIGEOIRRQX-LJQANCHMSA-N 1 0 397.931 4.481 20 0 GIADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N[C@@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000460138928 823294016 /nfs/dbraw/zinc/29/40/16/823294016.db2.gz MMHMIENRKFAQPW-KPZWWZAWSA-N 1 0 382.335 4.228 20 0 GIADRO FC(F)Oc1ccc(NC(=S)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000007558241 817868964 /nfs/dbraw/zinc/86/89/64/817868964.db2.gz DYCFXZJKKZZFSM-GOSISDBHSA-N 1 0 391.487 4.412 20 0 GIADRO FC(F)Oc1ccc(NC(=S)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000007558247 817869168 /nfs/dbraw/zinc/86/91/68/817869168.db2.gz DYCFXZJKKZZFSM-SFHVURJKSA-N 1 0 391.487 4.412 20 0 GIADRO CCc1ccc([C@H](CNC(=S)Nc2ccc(OC(F)F)cc2)[NH+](C)C)cc1 ZINC000007557623 817869196 /nfs/dbraw/zinc/86/91/96/817869196.db2.gz XSPYZKOLEBGTSX-SFHVURJKSA-N 1 0 393.503 4.440 20 0 GIADRO O=C(COc1ccsc1Cl)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000572174279 823294632 /nfs/dbraw/zinc/29/46/32/823294632.db2.gz INLDFGLYJDNDCU-QGZVFWFLSA-N 1 0 392.952 4.199 20 0 GIADRO CCCCCC[C@H](C)[NH2+]C1CCN(c2ccc(S(=O)(=O)CC)cc2)CC1 ZINC000122023003 823294744 /nfs/dbraw/zinc/29/47/44/823294744.db2.gz XJNZUECYOGAICK-SFHVURJKSA-N 1 0 380.598 4.398 20 0 GIADRO CC(C)[NH+]1CCC(NC(=O)Cc2csc(-c3ccc(Cl)s3)n2)CC1 ZINC000057427752 823294807 /nfs/dbraw/zinc/29/48/07/823294807.db2.gz YMHYNGZYIAZIJV-UHFFFAOYSA-N 1 0 383.970 4.057 20 0 GIADRO O=C(c1cccn1-c1c(Cl)cccc1Cl)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000409736741 823295441 /nfs/dbraw/zinc/29/54/41/823295441.db2.gz NRTIIZXCFJGSQQ-OAHLLOKOSA-N 1 0 392.330 4.342 20 0 GIADRO CC(C)C(=O)c1ccc([C@H](C)C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)cc1 ZINC000572181445 823295632 /nfs/dbraw/zinc/29/56/32/823295632.db2.gz FRWLAFGELBYTQF-SFHVURJKSA-N 1 0 398.522 4.358 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccccc1Br)c1ccccc1 ZINC000007686401 817895037 /nfs/dbraw/zinc/89/50/37/817895037.db2.gz NGWWNQMLEZEJHO-SFHVURJKSA-N 1 0 375.310 4.262 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Cc1coc2cc(OC)ccc12)c1ccccc1 ZINC000007686372 817895048 /nfs/dbraw/zinc/89/50/48/817895048.db2.gz KYSZXGZISACNFU-NRFANRHFSA-N 1 0 380.488 4.183 20 0 GIADRO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)Nc3cc(Cl)ccc3F)CC2)C[C@H](C)O1 ZINC000176807705 823297933 /nfs/dbraw/zinc/29/79/33/823297933.db2.gz HJYQQYRQEGJRCQ-GASCZTMLSA-N 1 0 397.922 4.222 20 0 GIADRO OCC1(c2ccccc2)CC[NH+](Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000572191123 823297230 /nfs/dbraw/zinc/29/72/30/823297230.db2.gz DSBFCAPHGUVAER-UHFFFAOYSA-N 1 0 379.422 4.154 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)c2c(C)onc2-c2ccccc2)cc1 ZINC000007828751 817927994 /nfs/dbraw/zinc/92/79/94/817927994.db2.gz OTOPLQQSGONKCD-UHFFFAOYSA-N 1 0 377.488 4.422 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2c(C)cccc2C)cc1Br ZINC000007879186 817947669 /nfs/dbraw/zinc/94/76/69/817947669.db2.gz DQORQOYKLMNREL-AWEZNQCLSA-N 1 0 391.309 4.364 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(C)cc2C)cc1Br ZINC000007879248 817948210 /nfs/dbraw/zinc/94/82/10/817948210.db2.gz CRUPLNUGNKSRBD-CQSZACIVSA-N 1 0 391.309 4.364 20 0 GIADRO CCN(CC)C(=O)c1ccc(NC(=O)C[NH2+][C@H](c2ccc(F)cc2)C(C)C)cc1 ZINC000008003951 817979539 /nfs/dbraw/zinc/97/95/39/817979539.db2.gz ZSSGAMYWTCBNND-QFIPXVFZSA-N 1 0 399.510 4.233 20 0 GIADRO CC(C)(C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)c1ccccc1Br ZINC000409757082 823300161 /nfs/dbraw/zinc/30/01/61/823300161.db2.gz COHSOFRNRBXWCR-MRXNPFEDSA-N 1 0 393.369 4.061 20 0 GIADRO CCN(CC)c1ccc(N(Cc2cccs2)C(=S)NCC[NH+](C)C)cc1 ZINC000008083801 817996609 /nfs/dbraw/zinc/99/66/09/817996609.db2.gz DXVYIATVAJOSAA-UHFFFAOYSA-N 1 0 390.622 4.037 20 0 GIADRO CCN(C(=O)NC[C@@H](c1ccsc1)[NH+](CC)CC)[C@@H]1CCOC(C)(C)C1 ZINC000460169653 823304385 /nfs/dbraw/zinc/30/43/85/823304385.db2.gz KTGOQLKFAVKSDK-MSOLQXFVSA-N 1 0 381.586 4.120 20 0 GIADRO S=C(Nc1cccc(Br)c1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000008106270 818001553 /nfs/dbraw/zinc/00/15/53/818001553.db2.gz LYSNLHZNVGBVNS-KRWDZBQOSA-N 1 0 390.350 4.010 20 0 GIADRO O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)N1CCCc2occc2C1 ZINC000460171650 823304965 /nfs/dbraw/zinc/30/49/65/823304965.db2.gz OKFWOVFPEZAUAN-LJQANCHMSA-N 1 0 387.911 4.228 20 0 GIADRO Cc1ccc(NC(=O)N[C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)cc1C ZINC000122117060 823308611 /nfs/dbraw/zinc/30/86/11/823308611.db2.gz NHHOPUDTXKQYOF-FQEVSTJZSA-N 1 0 379.504 4.413 20 0 GIADRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(OC)c(OC)c1)c1ccc(Cl)cc1 ZINC000011048531 818047677 /nfs/dbraw/zinc/04/76/77/818047677.db2.gz FHFKYTVPALQXTJ-DYVFJYSZSA-N 1 0 376.884 4.425 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)CCc1ccc(Cl)c(OC)c1 ZINC000122109422 823307671 /nfs/dbraw/zinc/30/76/71/823307671.db2.gz QVPJJGGCTNJUCL-UHFFFAOYSA-N 1 0 388.939 4.392 20 0 GIADRO C[C@H](Cc1ccccc1)C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000176847404 823308344 /nfs/dbraw/zinc/30/83/44/823308344.db2.gz ZLNPQPFRTQKXMU-OAQYLSRUSA-N 1 0 394.559 4.053 20 0 GIADRO O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1Cl ZINC000176849036 823309075 /nfs/dbraw/zinc/30/90/75/823309075.db2.gz VIFBIAUCUJFJOB-UHFFFAOYSA-N 1 0 386.923 4.141 20 0 GIADRO CCOc1ccccc1NC(=O)[C@H]([NH2+]CCOc1ccccc1)c1ccccc1 ZINC000057553549 823309365 /nfs/dbraw/zinc/30/93/65/823309365.db2.gz REHDZFKBXDFGMD-HSZRJFAPSA-N 1 0 390.483 4.434 20 0 GIADRO COC[C@H]([NH2+]CCc1ccc(OCC(F)(F)F)nc1)c1cccc(Cl)c1 ZINC000572291846 823314688 /nfs/dbraw/zinc/31/46/88/823314688.db2.gz FPNIPCXRAKASBY-INIZCTEOSA-N 1 0 388.817 4.196 20 0 GIADRO Cc1c(NCC(C)(C)C)cccc1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000176851356 823309677 /nfs/dbraw/zinc/30/96/77/823309677.db2.gz GUQWHDBJWXBGFY-UHFFFAOYSA-N 1 0 394.563 4.242 20 0 GIADRO Cc1cc(Br)cc(C[NH2+]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)c1O ZINC000188807491 823309902 /nfs/dbraw/zinc/30/99/02/823309902.db2.gz JREISPOKLWOFHL-WFASDCNBSA-N 1 0 396.247 4.036 20 0 GIADRO COc1cccc(OC)c1OCCCC[NH+]1CCC(OC2CCCC2)CC1 ZINC000572268664 823310376 /nfs/dbraw/zinc/31/03/76/823310376.db2.gz HZOHHARWAOZKLS-UHFFFAOYSA-N 1 0 377.525 4.286 20 0 GIADRO CCn1c(CSc2ccc(C)cc2)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000460190941 823311383 /nfs/dbraw/zinc/31/13/83/823311383.db2.gz HCTDQZVQNWVXJL-MJGOQNOKSA-N 1 0 387.597 4.065 20 0 GIADRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1ccc(F)cc1Cl ZINC000011554935 818095069 /nfs/dbraw/zinc/09/50/69/818095069.db2.gz DSWIQCYGOUZDBT-UHFFFAOYSA-N 1 0 388.874 4.423 20 0 GIADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1ccc2ncsc2c1 ZINC000176857709 823311503 /nfs/dbraw/zinc/31/15/03/823311503.db2.gz GVMNVPRTOJYKND-SFHVURJKSA-N 1 0 395.532 4.210 20 0 GIADRO C[N@H+](Cn1ccc(=O)c2cccc(Br)c21)CC1(c2ccccc2)CC1 ZINC000188832912 823314940 /nfs/dbraw/zinc/31/49/40/823314940.db2.gz WUCVGYJXWYOFKA-UHFFFAOYSA-N 1 0 397.316 4.385 20 0 GIADRO Cc1onc(-c2ccccc2)c1C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000122142091 823312334 /nfs/dbraw/zinc/31/23/34/823312334.db2.gz OYJOKXLSXUGNLD-UHFFFAOYSA-N 1 0 381.520 4.423 20 0 GIADRO CCN(c1nnc(-c2ccccn2)n1CC)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000460194264 823312325 /nfs/dbraw/zinc/31/23/25/823312325.db2.gz BGJNQWWAGVAQHD-AZUAARDMSA-N 1 0 390.535 4.022 20 0 GIADRO Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000188819417 823312648 /nfs/dbraw/zinc/31/26/48/823312648.db2.gz GVYQNNVCCAWGOW-DOMZBBRYSA-N 1 0 387.833 4.104 20 0 GIADRO C[NH+](C)CC1(C(=O)NCc2ccnc(Oc3ccc(F)cc3)c2)CCCCC1 ZINC000460196223 823312890 /nfs/dbraw/zinc/31/28/90/823312890.db2.gz VKZQJTQBXWTRIO-UHFFFAOYSA-N 1 0 385.483 4.141 20 0 GIADRO Cc1cc(C)cc(NC(=O)C(=O)Nc2cccc3c2C[N@H+]([C@H](C)C(C)C)C3)c1 ZINC000188832921 823315109 /nfs/dbraw/zinc/31/51/09/823315109.db2.gz NMQHXETTZXAJGG-QGZVFWFLSA-N 1 0 379.504 4.241 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)Cc3coc4c3ccc(C)c4C)cc2)CC1 ZINC000011872708 818126262 /nfs/dbraw/zinc/12/62/62/818126262.db2.gz ZDBWMUMWDZQDCX-UHFFFAOYSA-N 1 0 391.515 4.373 20 0 GIADRO CC[NH+](CC)CCCNC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000011923318 818129123 /nfs/dbraw/zinc/12/91/23/818129123.db2.gz HMXICVGBRUNYJJ-UHFFFAOYSA-N 1 0 396.560 4.122 20 0 GIADRO CCSc1ccc(Cl)cc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000176876182 823315413 /nfs/dbraw/zinc/31/54/13/823315413.db2.gz QORSEDCGIIKING-UHFFFAOYSA-N 1 0 389.952 4.456 20 0 GIADRO Cc1cc(C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c(C)n1Cc1ccccn1 ZINC000122167624 823315843 /nfs/dbraw/zinc/31/58/43/823315843.db2.gz YWTCFBMUJLVGOJ-OALUTQOASA-N 1 0 396.579 4.036 20 0 GIADRO C[N@H+](Cc1ccc(-c2cccc(Br)c2)s1)CC1(O)CCOCC1 ZINC000188838880 823315907 /nfs/dbraw/zinc/31/59/07/823315907.db2.gz MUGNSHBIBOKBAI-UHFFFAOYSA-N 1 0 396.350 4.151 20 0 GIADRO COCCN(Cc1ccco1)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000057632352 823316521 /nfs/dbraw/zinc/31/65/21/823316521.db2.gz YEZOOMCXHZYSCR-UHFFFAOYSA-N 1 0 399.535 4.014 20 0 GIADRO Cc1cccc(C2(C(=O)NC3CC[NH+]([C@H]4CCCC[C@H]4O)CC3)CCCCC2)c1 ZINC000122176884 823317067 /nfs/dbraw/zinc/31/70/67/823317067.db2.gz KLKICRCXYRDPGU-XZOQPEGZSA-N 1 0 398.591 4.081 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(Oc3ccncc3)c(Cl)c2)[C@H](C)C1 ZINC000122185016 823318445 /nfs/dbraw/zinc/31/84/45/823318445.db2.gz ABDIIALEOYXWAD-BEFAXECRSA-N 1 0 387.911 4.330 20 0 GIADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@H](C)c2ccc(C(F)(F)F)cc2)o1 ZINC000409828604 823318669 /nfs/dbraw/zinc/31/86/69/823318669.db2.gz NMFJQHREVOLYAC-OAHLLOKOSA-N 1 0 382.426 4.301 20 0 GIADRO CCOc1c(Br)cc(CNCC2([NH+](C)C)CCCCC2)cc1OC ZINC000057681673 823320974 /nfs/dbraw/zinc/32/09/74/823320974.db2.gz KYVUBLZDPVWTJK-UHFFFAOYSA-N 1 0 399.373 4.211 20 0 GIADRO Cc1cc(C(=O)Nc2cc(C[NH+](C)C)ccn2)c(C)n1[C@@H](C)c1ccccc1 ZINC000176905355 823321411 /nfs/dbraw/zinc/32/14/11/823321411.db2.gz KFMFTPOZUPWHHR-KRWDZBQOSA-N 1 0 376.504 4.423 20 0 GIADRO O=C(Nc1ccc(OCc2ccccc2)cc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000122206635 823321506 /nfs/dbraw/zinc/32/15/06/823321506.db2.gz CUFNGZMYSNBBIX-UHFFFAOYSA-N 1 0 388.471 4.015 20 0 GIADRO CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000460221242 823322049 /nfs/dbraw/zinc/32/20/49/823322049.db2.gz MHEINUYVKUDTMZ-YZGWKJHDSA-N 1 0 397.567 4.118 20 0 GIADRO CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000460221946 823322317 /nfs/dbraw/zinc/32/23/17/823322317.db2.gz MKRDHCJZNSRRAH-YOEHRIQHSA-N 1 0 395.473 4.150 20 0 GIADRO C[C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000409841109 823322406 /nfs/dbraw/zinc/32/24/06/823322406.db2.gz FFNAYVCWRIHHRH-URLQWDBASA-N 1 0 380.454 4.284 20 0 GIADRO C[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000409841110 823322503 /nfs/dbraw/zinc/32/25/03/823322503.db2.gz FFNAYVCWRIHHRH-ZSZQSSIHSA-N 1 0 380.454 4.284 20 0 GIADRO CC1=CC[N@H+](CCNC(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)CC1 ZINC000460223772 823322795 /nfs/dbraw/zinc/32/27/95/823322795.db2.gz ZBDXXNSXAGUKFN-UHFFFAOYSA-N 1 0 381.442 4.031 20 0 GIADRO O=C(NC1CC[NH+](C2CC2)CC1)c1cc(-c2ccc(F)cc2)nc2ccccc21 ZINC000014528321 818249763 /nfs/dbraw/zinc/24/97/63/818249763.db2.gz QWBMHCNRSPECKD-UHFFFAOYSA-N 1 0 389.474 4.398 20 0 GIADRO Cc1cccc2nc(C3CC[NH+](Cc4cn(C)nc4-c4cccnc4)CC3)oc21 ZINC000188886256 823322981 /nfs/dbraw/zinc/32/29/81/823322981.db2.gz UUGXAWRVZIMVTB-UHFFFAOYSA-N 1 0 387.487 4.311 20 0 GIADRO CCn1c(Cc2ccc3ccccc3c2)nnc1N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000460228571 823324269 /nfs/dbraw/zinc/32/42/69/823324269.db2.gz BMKSLHUVRASYDA-XMSQKQJNSA-N 1 0 389.547 4.105 20 0 GIADRO COc1ccccc1C[C@H](C)CC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000409847354 823324270 /nfs/dbraw/zinc/32/42/70/823324270.db2.gz DOPJOJGBKDLYRK-CNNODRBYSA-N 1 0 380.532 4.216 20 0 GIADRO Cc1c(NC(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)cnn1CCC(C)C ZINC000122227454 823324419 /nfs/dbraw/zinc/32/44/19/823324419.db2.gz BJXSARUDGRBKES-UHFFFAOYSA-N 1 0 397.567 4.020 20 0 GIADRO C[C@H]([NH2+]C1(CNC(=O)NCc2ccc3cc[nH]c3n2)CCCC1)c1ccccc1 ZINC000460231035 823324778 /nfs/dbraw/zinc/32/47/78/823324778.db2.gz RNDGHFWDOMCOGI-KRWDZBQOSA-N 1 0 391.519 4.026 20 0 GIADRO CCn1c(-c2cccc3ccccc32)nnc1N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000460230738 823324797 /nfs/dbraw/zinc/32/47/97/823324797.db2.gz QJZMXVGGMJDEJI-IEBWSBKVSA-N 1 0 375.520 4.181 20 0 GIADRO CCC1(CNC(=O)CCCC2CCOCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000409848722 823325313 /nfs/dbraw/zinc/32/53/13/823325313.db2.gz KTTNIUCZCORAOO-UHFFFAOYSA-N 1 0 386.580 4.392 20 0 GIADRO C[NH+](C)Cc1ccnc(NC(=O)C2=NN(c3ccccc3)[C@@H](c3ccccc3)C2)c1 ZINC000176924762 823325450 /nfs/dbraw/zinc/32/54/50/823325450.db2.gz PUKDWNSZAJJEOT-JOCHJYFZSA-N 1 0 399.498 4.089 20 0 GIADRO C[C@H](O)[C@](C)(C[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)Cc1ccccc1 ZINC000188903772 823325788 /nfs/dbraw/zinc/32/57/88/823325788.db2.gz YCGXLEDCBKEDIQ-AFIMQMJHSA-N 1 0 390.568 4.042 20 0 GIADRO COCCC[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 ZINC000015183960 818297754 /nfs/dbraw/zinc/29/77/54/818297754.db2.gz OVRIVTBEFOILNS-UHFFFAOYSA-N 1 0 375.472 4.471 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2nc(-c3ccccc3)n3c2CCCCC3)[C@H](C)C1 ZINC000122280778 823331917 /nfs/dbraw/zinc/33/19/17/823331917.db2.gz PDJCMJCJMHEFQR-QUCCMNQESA-N 1 0 394.563 4.079 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)Nc2ccc(Cl)cc2OC(F)F)cc1 ZINC000460241522 823328448 /nfs/dbraw/zinc/32/84/48/823328448.db2.gz YUQPAVXRYVUKST-UHFFFAOYSA-N 1 0 383.826 4.325 20 0 GIADRO CC(C)c1c(C(=O)Nc2cc(C[NH+](C)C)ccn2)cnn1-c1ccccc1Cl ZINC000188921436 823328745 /nfs/dbraw/zinc/32/87/45/823328745.db2.gz DFZWCHRNFZMYGB-UHFFFAOYSA-N 1 0 397.910 4.358 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1ccc(C2SCCS2)cc1)c1cccs1 ZINC000015536573 818334409 /nfs/dbraw/zinc/33/44/09/818334409.db2.gz XGBUOKGOWYPQEW-HNNXBMFYSA-N 1 0 378.588 4.259 20 0 GIADRO O=C(CSc1ccc2ccccc2c1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000015540782 818335446 /nfs/dbraw/zinc/33/54/46/818335446.db2.gz NPLLKJIOKVJRHB-NRFANRHFSA-N 1 0 376.525 4.323 20 0 GIADRO Cc1c2cc(Br)ccc2oc1C(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000176938259 823329315 /nfs/dbraw/zinc/32/93/15/823329315.db2.gz SMDTYIPMSHJGCV-UHFFFAOYSA-N 1 0 388.265 4.213 20 0 GIADRO Cc1ccc2c(C[NH+]3CCC(C(=O)N4CCCCCC4)CC3)cc(=O)oc2c1C ZINC000015544057 818336314 /nfs/dbraw/zinc/33/63/14/818336314.db2.gz UXSQGKYPSZNULU-UHFFFAOYSA-N 1 0 396.531 4.024 20 0 GIADRO Nc1ccc2c(c1)CC[C@H]2NC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000572379810 823330066 /nfs/dbraw/zinc/33/00/66/823330066.db2.gz RBWPAFBBAWUNOS-JOCHJYFZSA-N 1 0 378.520 4.106 20 0 GIADRO CCN(CCC[NH+](C)C)C(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C ZINC000188936512 823330584 /nfs/dbraw/zinc/33/05/84/823330584.db2.gz YKCISVMOTHQHSI-UHFFFAOYSA-N 1 0 393.535 4.093 20 0 GIADRO Clc1ccc(N2CC[C@H]([NH2+]Cc3c[nH]nc3-c3cccnc3)C2)c(Cl)c1 ZINC000188934783 823330661 /nfs/dbraw/zinc/33/06/61/823330661.db2.gz HFXVHRCTJAWLAS-INIZCTEOSA-N 1 0 388.302 4.147 20 0 GIADRO Cc1cc(Br)cc(C)c1NC(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000057772915 823330726 /nfs/dbraw/zinc/33/07/26/823330726.db2.gz WTLQJGRSQPMMSN-WFASDCNBSA-N 1 0 382.346 4.308 20 0 GIADRO Cc1cc(NC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)ccc1-c1ccccc1 ZINC000460251278 823330754 /nfs/dbraw/zinc/33/07/54/823330754.db2.gz MWXWTCZSHLINLO-UHFFFAOYSA-N 1 0 394.563 4.152 20 0 GIADRO C[C@H]1[C@H](NC(=O)Nc2ccc(OCC(F)F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000572394374 823332289 /nfs/dbraw/zinc/33/22/89/823332289.db2.gz XNTMTXZNZHUCLL-HNAYVOBHSA-N 1 0 389.446 4.115 20 0 GIADRO CC(C)C[C@@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)CC1CCC(=O)CC1 ZINC000572389916 823331370 /nfs/dbraw/zinc/33/13/70/823331370.db2.gz OGQPXVUVCVYTHU-HSZRJFAPSA-N 1 0 398.591 4.328 20 0 GIADRO C[C@@H](C(=O)NCc1ccc(C[NH+](C)C)c(F)c1)c1ccc(C(F)(F)F)cc1 ZINC000409878564 823333884 /nfs/dbraw/zinc/33/38/84/823333884.db2.gz PKOIRBYOGHQERX-CYBMUJFWSA-N 1 0 382.401 4.326 20 0 GIADRO c1[nH]nc(-c2ccccc2)c1C[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000572409427 823334080 /nfs/dbraw/zinc/33/40/80/823334080.db2.gz MTRUTTITJNFSNJ-IBGZPJMESA-N 1 0 384.487 4.241 20 0 GIADRO CCN(CCC[NH+](C)C)C(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12 ZINC000188959933 823334352 /nfs/dbraw/zinc/33/43/52/823334352.db2.gz OFJFRLAVIIHKAP-UHFFFAOYSA-N 1 0 392.499 4.182 20 0 GIADRO C[C@H]1C[N@@H+]([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CCC1(F)F ZINC000572411924 823334441 /nfs/dbraw/zinc/33/44/41/823334441.db2.gz KUAZLCATLOQQMC-BBRMVZONSA-N 1 0 390.396 4.174 20 0 GIADRO C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccc([C@H]2C[C@H]2C)o1)N1CCc2sccc2C1 ZINC000409892166 823337460 /nfs/dbraw/zinc/33/74/60/823337460.db2.gz QOJXNWVMOPUCLW-AGTSVGGPSA-N 1 0 384.545 4.131 20 0 GIADRO C[NH+](C)[C@H](CNC(=S)Nc1ccc(Cl)c(Cl)c1)Cc1ccccc1 ZINC000016242206 818409624 /nfs/dbraw/zinc/40/96/24/818409624.db2.gz UCSMGBCCJDXEOS-HNNXBMFYSA-N 1 0 382.360 4.453 20 0 GIADRO CC(C)(NCc1cn(-c2ccccc2Br)nn1)c1cccs1 ZINC000572413084 823334968 /nfs/dbraw/zinc/33/49/68/823334968.db2.gz MZLWDUDNGUIORJ-UHFFFAOYSA-N 1 0 377.311 4.116 20 0 GIADRO C[C@H](O)[C@@H](N[C@@H]1CCc2c1c(Br)ccc2F)c1ccccc1F ZINC000572413717 823335011 /nfs/dbraw/zinc/33/50/11/823335011.db2.gz QGZZMPFBIYEOSW-FEMPBKKVSA-N 1 0 382.248 4.426 20 0 GIADRO CC[N@@H+]1CCC[C@@H](CNC(=O)N[C@H](Cc2ccccc2)c2ccc(OC)cc2)C1 ZINC000460267990 823335464 /nfs/dbraw/zinc/33/54/64/823335464.db2.gz NWNPUQVPGVSFAO-NZQKXSOJSA-N 1 0 395.547 4.010 20 0 GIADRO C[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000409884184 823335700 /nfs/dbraw/zinc/33/57/00/823335700.db2.gz SMKMWFILIFEIGX-GDIGMMSISA-N 1 0 376.422 4.371 20 0 GIADRO C[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000409884392 823335835 /nfs/dbraw/zinc/33/58/35/823335835.db2.gz SMKMWFILIFEIGX-ZOCIIQOWSA-N 1 0 376.422 4.371 20 0 GIADRO CC(C)[C@@H]([NH2+][C@H](C)CCCOc1ccccc1C(N)=O)c1nc2ccccc2[nH]1 ZINC000122307432 823335872 /nfs/dbraw/zinc/33/58/72/823335872.db2.gz SPRCCLHUOFOTAP-IIBYNOLFSA-N 1 0 394.519 4.196 20 0 GIADRO Cc1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000016402228 818436146 /nfs/dbraw/zinc/43/61/46/818436146.db2.gz ZMHFNTXHGXQROC-SFHVURJKSA-N 1 0 380.488 4.165 20 0 GIADRO Cc1ccc(C)c(NC(=O)[C@H](C)OC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000016402357 818436261 /nfs/dbraw/zinc/43/62/61/818436261.db2.gz IAFRDBCBGZRDEA-IBGZPJMESA-N 1 0 394.515 4.473 20 0 GIADRO Fc1ccc(NC(=S)NCC2CC[NH+](Cc3cccs3)CC2)c(F)c1 ZINC000057817000 823336618 /nfs/dbraw/zinc/33/66/18/823336618.db2.gz LPQAULATIQNZQN-UHFFFAOYSA-N 1 0 381.517 4.225 20 0 GIADRO CCOc1ccc(NC(=O)c2ccc(NC(=O)C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000016446307 818443661 /nfs/dbraw/zinc/44/36/61/818443661.db2.gz XXFIQFNDWITMAH-QGZVFWFLSA-N 1 0 395.503 4.008 20 0 GIADRO COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000016446231 818443709 /nfs/dbraw/zinc/44/37/09/818443709.db2.gz LXCYJCMAKQTQGB-SJORKVTESA-N 1 0 395.503 4.006 20 0 GIADRO COc1cc(C2(C(=O)Nc3cccc4c3OCC[C@@H]4[NH+](C)C)CC2)ccc1C ZINC000572454185 823342839 /nfs/dbraw/zinc/34/28/39/823342839.db2.gz IOPYIRAYDSHNEE-IBGZPJMESA-N 1 0 380.488 4.059 20 0 GIADRO CC(C)Oc1ccc([C@@H](CNC(=O)c2cc(Cl)ccc2F)[NH+](C)C)cc1 ZINC000572432763 823338012 /nfs/dbraw/zinc/33/80/12/823338012.db2.gz SQRGINXOTNRYQE-LJQANCHMSA-N 1 0 378.875 4.299 20 0 GIADRO COc1ccc(CCCN(C)C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000057823257 823338030 /nfs/dbraw/zinc/33/80/30/823338030.db2.gz XPPBVGXIXKPSSL-PMACEKPBSA-N 1 0 389.584 4.027 20 0 GIADRO CC(=O)CCc1ccc2oc(C(=O)NC[C@H](c3ccccc3)[NH+](C)C)c(C)c2c1 ZINC000016599053 818458301 /nfs/dbraw/zinc/45/83/01/818458301.db2.gz KHIKTYAPRGKXOW-OAQYLSRUSA-N 1 0 392.499 4.296 20 0 GIADRO Cc1nn(-c2cc[nH+]cc2)cc1CNCc1ccncc1OCCC(C)(C)C ZINC000572439221 823339362 /nfs/dbraw/zinc/33/93/62/823339362.db2.gz PXDJBFSBHCPSPX-UHFFFAOYSA-N 1 0 379.508 4.076 20 0 GIADRO CCc1ccccc1NC(=O)CN1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000057843866 823340417 /nfs/dbraw/zinc/34/04/17/823340417.db2.gz OBGATIBSQDINJC-UHFFFAOYSA-N 1 0 379.548 4.032 20 0 GIADRO CCCCOc1c(Cl)cc(C(=O)N(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)cc1OC ZINC000122358029 823343208 /nfs/dbraw/zinc/34/32/08/823343208.db2.gz LADVQGRSFOSILS-YJBOKZPZSA-N 1 0 396.959 4.330 20 0 GIADRO CC[NH+](CC)CC1CCN([C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000057847159 823340810 /nfs/dbraw/zinc/34/08/10/823340810.db2.gz PCCQRHRUNGVWNC-AWEZNQCLSA-N 1 0 386.367 4.374 20 0 GIADRO Brc1ccn2cc(C[NH2+]CCCn3ccc4ccccc43)nc2c1 ZINC000572447118 823341222 /nfs/dbraw/zinc/34/12/22/823341222.db2.gz YJFBIATWWFRXOR-UHFFFAOYSA-N 1 0 383.293 4.231 20 0 GIADRO CSc1ccc(C[NH2+]C[C@H](O)COc2cccc(C(F)(F)F)c2)s1 ZINC000572447571 823341276 /nfs/dbraw/zinc/34/12/76/823341276.db2.gz ROQOSZVFTGLSIR-LBPRGKRZSA-N 1 0 377.453 4.018 20 0 GIADRO CCNC(=O)COc1ccc(C[NH2+]C2CCC(C(C)(C)CC)CC2)cc1OC ZINC000017318926 818509494 /nfs/dbraw/zinc/50/94/94/818509494.db2.gz DOEKYURGKXTPOT-UHFFFAOYSA-N 1 0 390.568 4.295 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=S)Nc1ccccc1F)c1cccc(OC)c1 ZINC000017516638 818517697 /nfs/dbraw/zinc/51/76/97/818517697.db2.gz LCBJHQCQTRCWDT-LJQANCHMSA-N 1 0 375.513 4.204 20 0 GIADRO O=C(COc1ccc(Cl)c2ccccc12)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000017702344 818524671 /nfs/dbraw/zinc/52/46/71/818524671.db2.gz AVFSMXCZTIDJAO-IBGZPJMESA-N 1 0 398.890 4.418 20 0 GIADRO O=C(COc1ccc(Cl)c2ccccc12)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000017702342 818524702 /nfs/dbraw/zinc/52/47/02/818524702.db2.gz AVFSMXCZTIDJAO-LJQANCHMSA-N 1 0 398.890 4.418 20 0 GIADRO COc1ccc([C@@H](CNC(=O)c2cc(Cl)ccc2F)[NH+]2CCCC2)cc1 ZINC000017911908 818532686 /nfs/dbraw/zinc/53/26/86/818532686.db2.gz JMHMGRJYDIVMQJ-LJQANCHMSA-N 1 0 376.859 4.055 20 0 GIADRO C[C@H](NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C)c1cccc(OCc2ccccn2)c1 ZINC000122364856 823344500 /nfs/dbraw/zinc/34/45/00/823344500.db2.gz ICWKTSLTWQOOFJ-YRXWBPOGSA-N 1 0 381.520 4.099 20 0 GIADRO O=C(NCc1cccc(F)c1)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000057888212 823344927 /nfs/dbraw/zinc/34/49/27/823344927.db2.gz OWZOZEDXENXKRQ-IBGZPJMESA-N 1 0 375.875 4.115 20 0 GIADRO O[C@@H](CN1CCC(C[NH+]2CCCCCC2)CC1)c1cccc(Br)c1 ZINC000057889645 823345732 /nfs/dbraw/zinc/34/57/32/823345732.db2.gz ZVHINJGYVPNEBL-FQEVSTJZSA-N 1 0 395.385 4.071 20 0 GIADRO COc1cccc2cc([C@H](C)[NH2+][C@H]3CCN(Cc4ccc(F)cc4)C3=O)oc21 ZINC000189053975 823349463 /nfs/dbraw/zinc/34/94/63/823349463.db2.gz XESQOLLGDKEXER-KSSFIOAISA-N 1 0 382.435 4.032 20 0 GIADRO C[C@@H](NC(=O)Nc1cccc(C[NH+](C)C)c1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000177000313 823346581 /nfs/dbraw/zinc/34/65/81/823346581.db2.gz GKSBKHBBIGAWTP-CYBMUJFWSA-N 1 0 399.882 4.334 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)CC1 ZINC000018892163 818579157 /nfs/dbraw/zinc/57/91/57/818579157.db2.gz UKVUFFLXGZLQPB-UHFFFAOYSA-N 1 0 377.410 4.100 20 0 GIADRO CCOc1ccc(N2C(=O)c3ccccc3C(=CNc3cc[nH+]c(C)c3)C2=O)cc1 ZINC000018895372 818579202 /nfs/dbraw/zinc/57/92/02/818579202.db2.gz PJTQYJOSVZDOGT-JCMHNJIXSA-N 1 0 399.450 4.429 20 0 GIADRO CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460309050 823348114 /nfs/dbraw/zinc/34/81/14/823348114.db2.gz SMDVZOXKTMQNFE-DZGCQCFKSA-N 1 0 394.350 4.335 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)C[NH2+][C@H](Cc2ccccc2)c2ccccc2)cc1 ZINC000019538744 818593725 /nfs/dbraw/zinc/59/37/25/818593725.db2.gz SHQQZKVQZXABOX-HSZRJFAPSA-N 1 0 387.483 4.157 20 0 GIADRO COc1ccc(NC(=O)C[NH2+][C@H](Cc2ccccc2)c2ccccc2)c(OC)c1 ZINC000019538786 818594037 /nfs/dbraw/zinc/59/40/37/818594037.db2.gz YVVCJGFJXNNEKM-JOCHJYFZSA-N 1 0 390.483 4.216 20 0 GIADRO C[C@@H](NC(=O)c1c[nH]nc1-c1cc2ccccc2o1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000189051581 823348677 /nfs/dbraw/zinc/34/86/77/823348677.db2.gz HLQCKQNVHQBYNB-NVXWUHKLSA-N 1 0 392.503 4.206 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)[C@H](C)C1 ZINC000122422862 823351918 /nfs/dbraw/zinc/35/19/18/823351918.db2.gz JWSZHHWVXVCKRQ-VGSWGCGISA-N 1 0 390.531 4.136 20 0 GIADRO COc1ccc([C@H]2CCCCC[N@@H+]2C[C@H](O)COCc2ccccc2OC)cc1 ZINC000057974231 823351983 /nfs/dbraw/zinc/35/19/83/823351983.db2.gz RRJZFHUWNWFZGT-JTHBVZDNSA-N 1 0 399.531 4.199 20 0 GIADRO Fc1ccc(Cn2cc(C[NH2+]Cc3ccccc3OCC(F)(F)F)cn2)cc1 ZINC000189071055 823351944 /nfs/dbraw/zinc/35/19/44/823351944.db2.gz WWAJYPKKAVDQNE-UHFFFAOYSA-N 1 0 393.384 4.301 20 0 GIADRO Cc1cc(C[NH2+]C2CCN(CC(F)F)CC2)cc(C)c1OCc1ccccn1 ZINC000057978028 823352277 /nfs/dbraw/zinc/35/22/77/823352277.db2.gz FZSXTSYFJOWYRT-UHFFFAOYSA-N 1 0 389.490 4.097 20 0 GIADRO Cc1ccc(CN2CC[C@H]([NH2+][C@H]3CC4(CCC4)Oc4ccccc43)C2=O)cc1 ZINC000189075426 823352564 /nfs/dbraw/zinc/35/25/64/823352564.db2.gz MMSLIUIHJOMWGG-SFTDATJTSA-N 1 0 376.500 4.132 20 0 GIADRO C[C@@H]1CN(C)c2ccccc2N(C(=O)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000460323232 823353443 /nfs/dbraw/zinc/35/34/43/823353443.db2.gz FJFQQBDJXWMUFK-LJQANCHMSA-N 1 0 377.532 4.018 20 0 GIADRO O=C(Nc1cnc(-c2ccccc2)nc1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177028047 823353508 /nfs/dbraw/zinc/35/35/08/823353508.db2.gz QJVLUDZZEBKHNU-UHFFFAOYSA-N 1 0 379.508 4.062 20 0 GIADRO COc1ccc2cc(C[NH2+][C@@H](CN3CCOCC3)c3ccc(C)cc3)ccc2c1 ZINC000020937043 818641682 /nfs/dbraw/zinc/64/16/82/818641682.db2.gz IBRVFUIAOHPAAA-VWLOTQADSA-N 1 0 390.527 4.320 20 0 GIADRO COc1ccc2cc(C[NH2+][C@H](CN3CCOCC3)c3ccc(C)cc3)ccc2c1 ZINC000020937048 818641720 /nfs/dbraw/zinc/64/17/20/818641720.db2.gz IBRVFUIAOHPAAA-RUZDIDTESA-N 1 0 390.527 4.320 20 0 GIADRO Fc1ccc(Cn2cc(C[NH2+]CC3(c4ccc(F)cc4)CCOCC3)cn2)cc1 ZINC000189079087 823353764 /nfs/dbraw/zinc/35/37/64/823353764.db2.gz JGDVWTWFUUXVNO-UHFFFAOYSA-N 1 0 397.469 4.048 20 0 GIADRO CN(C)C(=O)Sc1ccc(CN(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000177028790 823353815 /nfs/dbraw/zinc/35/38/15/823353815.db2.gz LKOZDORBJUKEPU-OAQYLSRUSA-N 1 0 397.588 4.414 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)CCCCc1nc2ccccc2s1)c1cccs1 ZINC000057992540 823353966 /nfs/dbraw/zinc/35/39/66/823353966.db2.gz BBJJAQAQNQUHCJ-INIZCTEOSA-N 1 0 387.574 4.490 20 0 GIADRO COCCOc1ccc([C@@H](C)[NH2+]Cc2cccc(NC(=O)C3CCC3)c2)cc1 ZINC000122439481 823354389 /nfs/dbraw/zinc/35/43/89/823354389.db2.gz YNNBMSRFHITADN-QGZVFWFLSA-N 1 0 382.504 4.301 20 0 GIADRO O[C@@H](C[C@H]1CCCCC[N@@H+]1Cc1nc(-c2ccccc2F)no1)c1ccco1 ZINC000189082571 823354515 /nfs/dbraw/zinc/35/45/15/823354515.db2.gz GMQSJIBIXGNGSS-QAPCUYQASA-N 1 0 385.439 4.337 20 0 GIADRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(NC(=O)C3CCC3)c1)CCCO2 ZINC000122409276 823350331 /nfs/dbraw/zinc/35/03/31/823350331.db2.gz NDWIIBUHNVUGDY-NRFANRHFSA-N 1 0 380.488 4.437 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccc2ccccc2c1O ZINC000189060408 823350666 /nfs/dbraw/zinc/35/06/66/823350666.db2.gz YJUXAMPNOQYSFK-VFNWGFHPSA-N 1 0 378.447 4.136 20 0 GIADRO O=C(NCCC[NH+]1CCCCCC1)c1cc(-c2ccncc2)nc2ccccc21 ZINC000021311652 818673995 /nfs/dbraw/zinc/67/39/95/818673995.db2.gz SEIGWYKUOPVWNZ-UHFFFAOYSA-N 1 0 388.515 4.293 20 0 GIADRO CC[C@H](NC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)c1c(C)noc1C ZINC000122441882 823355023 /nfs/dbraw/zinc/35/50/23/823355023.db2.gz SISLWLAWTNRRFM-FQEVSTJZSA-N 1 0 384.524 4.015 20 0 GIADRO CCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000460316549 823350934 /nfs/dbraw/zinc/35/09/34/823350934.db2.gz JVALEAMOTLTXQP-IBGZPJMESA-N 1 0 399.608 4.353 20 0 GIADRO OC[C@@]1(Cc2ccc(F)cc2)CC[N@H+](Cc2cnc(-c3ccccc3)s2)C1 ZINC000572558816 823360933 /nfs/dbraw/zinc/36/09/33/823360933.db2.gz OLVAJQSLVFCGDK-JOCHJYFZSA-N 1 0 382.504 4.376 20 0 GIADRO C[C@H](c1nc2ccccc2s1)[N@H+](C)CCC(=O)N1CCc2ccccc2C1 ZINC000189093985 823356505 /nfs/dbraw/zinc/35/65/05/823356505.db2.gz QXQPJFPNJYQALO-MRXNPFEDSA-N 1 0 379.529 4.264 20 0 GIADRO CC[N@H+](CCc1ccc(OC)cc1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000058045598 823357168 /nfs/dbraw/zinc/35/71/68/823357168.db2.gz JPOCHHQNLKFZQC-UHFFFAOYSA-N 1 0 380.410 4.217 20 0 GIADRO Fc1ccc(Cn2cc(C[NH2+]Cc3ccc(Br)c(F)c3)cn2)cc1 ZINC000189098571 823357309 /nfs/dbraw/zinc/35/73/09/823357309.db2.gz YMXKHWWABRSTRR-UHFFFAOYSA-N 1 0 392.247 4.262 20 0 GIADRO CC[NH+]1CCC(CNC(=O)N[C@@H](CCc2ccccc2)c2ccccc2)CC1 ZINC000572544182 823358002 /nfs/dbraw/zinc/35/80/02/823358002.db2.gz HWUVBPMODCXKMN-QHCPKHFHSA-N 1 0 379.548 4.392 20 0 GIADRO CC(C)C(=O)c1ccc([C@@H](C)C(=O)N(CC[NH+](C)C)Cc2ccccc2F)cc1 ZINC000572544569 823358116 /nfs/dbraw/zinc/35/81/16/823358116.db2.gz IXDVNPFGUSWHSD-GOSISDBHSA-N 1 0 398.522 4.358 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2csc(-c3cccc(Cl)c3)n2)[C@H](C)C1 ZINC000122485109 823361395 /nfs/dbraw/zinc/36/13/95/823361395.db2.gz OGPXFFZTGUSNQO-CXAGYDPISA-N 1 0 377.941 4.266 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Nc1cccc(OCC(F)(F)F)c1)c1ccccc1 ZINC000058077546 823360372 /nfs/dbraw/zinc/36/03/72/823360372.db2.gz WJRJQCFKFFTWDJ-KRWDZBQOSA-N 1 0 381.398 4.052 20 0 GIADRO CCOC(=O)Nc1ccc2c(C[N@H+](C)Cc3ccc(C)cc3)cc(=O)oc2c1 ZINC000021919479 818755611 /nfs/dbraw/zinc/75/56/11/818755611.db2.gz SQCWOPABOFNQGQ-UHFFFAOYSA-N 1 0 380.444 4.302 20 0 GIADRO Cc1cc(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)nn1C(C)(C)C ZINC000409979277 823360787 /nfs/dbraw/zinc/36/07/87/823360787.db2.gz WTDREBIJRIDDFC-UHFFFAOYSA-N 1 0 382.552 4.253 20 0 GIADRO CS[C@H]1CN(Cc2nc(C)c(-c3ccc(Cl)cc3)o2)C[C@H]1[NH+]1CCCC1 ZINC000460355148 823362431 /nfs/dbraw/zinc/36/24/31/823362431.db2.gz KSGSOXUPLKJQHX-MSOLQXFVSA-N 1 0 391.968 4.315 20 0 GIADRO CC1CC[NH+](C2CCC(NC(=O)c3ccccc3Br)CC2)CC1 ZINC000122492689 823362657 /nfs/dbraw/zinc/36/26/57/823362657.db2.gz JPDPKXINMUKAGX-UHFFFAOYSA-N 1 0 379.342 4.222 20 0 GIADRO C[C@H]([NH2+]C[C@H]1COc2ccccc21)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000572593851 823366988 /nfs/dbraw/zinc/36/69/88/823366988.db2.gz QKUKJMIFIIROIN-WMZOPIPTSA-N 1 0 385.529 4.230 20 0 GIADRO Cc1nc(CCCC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cs1 ZINC000177065666 823362968 /nfs/dbraw/zinc/36/29/68/823362968.db2.gz GGPKHWOVUQVDNW-KXBFYZLASA-N 1 0 377.579 4.035 20 0 GIADRO CC(=O)c1ccc(NC(=O)CC[N@@H+](C)Cc2ccc(Br)cc2)cc1 ZINC000022198482 818781958 /nfs/dbraw/zinc/78/19/58/818781958.db2.gz TYUBFOXEVZBQNR-UHFFFAOYSA-N 1 0 389.293 4.112 20 0 GIADRO Cc1nc(Cc2ccc(F)cc2)sc1C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000409988613 823363801 /nfs/dbraw/zinc/36/38/01/823363801.db2.gz XAVXVIRILZXJST-KRWDZBQOSA-N 1 0 389.540 4.032 20 0 GIADRO CC1CC[NH+](CCCCNC(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000177069491 823363869 /nfs/dbraw/zinc/36/38/69/823363869.db2.gz ZPLNEGDXGMUVQZ-SFHVURJKSA-N 1 0 387.351 4.045 20 0 GIADRO COc1cccc([C@H](CNC(=O)Nc2nc3ccccc3s2)[NH+]2CCCC2)c1 ZINC000022388685 818800559 /nfs/dbraw/zinc/80/05/59/818800559.db2.gz JCTHAYFXMGCDEV-SFHVURJKSA-N 1 0 396.516 4.264 20 0 GIADRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1c[nH]nc1-c1ccc(Cl)cc1 ZINC000022464195 818810410 /nfs/dbraw/zinc/81/04/10/818810410.db2.gz TWTSJHWIBXVNKC-HXUWFJFHSA-N 1 0 394.906 4.297 20 0 GIADRO O=C(c1cc(Cl)ccc1OC1CCCC1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000572599560 823367596 /nfs/dbraw/zinc/36/75/96/823367596.db2.gz CCEJJLHFCMYPIK-CVEARBPZSA-N 1 0 376.928 4.123 20 0 GIADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)NCc1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000460370114 823366769 /nfs/dbraw/zinc/36/67/69/823366769.db2.gz KUBSODQXUXVLEV-CQSZACIVSA-N 1 0 392.931 4.223 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)C3(Cc4ccccc4F)CC3)cc2)CC1 ZINC000189128774 823361705 /nfs/dbraw/zinc/36/17/05/823361705.db2.gz ZQPJWNZNVUAZEZ-UHFFFAOYSA-N 1 0 395.522 4.318 20 0 GIADRO CCCC[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1cc2c(cc1Cl)OCCCO2 ZINC000460352908 823361828 /nfs/dbraw/zinc/36/18/28/823361828.db2.gz OEGHVGPLTNIWCA-GOEBONIOSA-N 1 0 380.916 4.388 20 0 GIADRO Cc1nc(-c2ccc(CCNC(=O)Nc3ccn4ccnc4c3)s2)cs1 ZINC000572566561 823361857 /nfs/dbraw/zinc/36/18/57/823361857.db2.gz RDSUBCSLEWUSQE-UHFFFAOYSA-N 1 0 383.502 4.192 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)NC(c1ccccc1)c1ccccc1)c1ccsc1 ZINC000022678981 818841752 /nfs/dbraw/zinc/84/17/52/818841752.db2.gz SVDCFCNUYUPJNE-HXUWFJFHSA-N 1 0 379.529 4.440 20 0 GIADRO COc1cc(CC(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)ccc1C ZINC000022681419 818842304 /nfs/dbraw/zinc/84/23/04/818842304.db2.gz IMCCVKREHKCAAM-LJQANCHMSA-N 1 0 386.561 4.197 20 0 GIADRO Cc1sc([C@H](C)NC(=O)N[C@H](C)C[C@@H](C)[NH3+])nc1-c1ccc(Cl)cc1 ZINC000572599727 823367745 /nfs/dbraw/zinc/36/77/45/823367745.db2.gz LBLNXVJJTWZPES-UTUOFQBUSA-N 1 0 380.945 4.258 20 0 GIADRO COc1ccc([C@@H](CNC(=O)[C@H](C)Oc2ccc(C)cc2)[NH+]2CCCCC2)cc1 ZINC000022685512 818843770 /nfs/dbraw/zinc/84/37/70/818843770.db2.gz DGAUWPDXXBXYBI-WMZHIEFXSA-N 1 0 396.531 4.114 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(F)cc1Br)c1ccccc1 ZINC000022752345 818855893 /nfs/dbraw/zinc/85/58/93/818855893.db2.gz VJHPLERAOGQAED-GOSISDBHSA-N 1 0 393.300 4.401 20 0 GIADRO CCCNC(=S)C(C(=O)c1cc(F)ccc1F)[n+]1ccc(CCC)cc1 ZINC000022804890 818863109 /nfs/dbraw/zinc/86/31/09/818863109.db2.gz FAHAMOSIVFLZDQ-UHFFFAOYSA-O 1 0 377.480 4.143 20 0 GIADRO O=C(Nc1cccc(CNC2CC[NH+](C3CC3)CC2)c1)c1ccc(Cl)cc1 ZINC000022820606 818864129 /nfs/dbraw/zinc/86/41/29/818864129.db2.gz CEUIESGLAZCXOR-UHFFFAOYSA-N 1 0 383.923 4.309 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1ccccc1OC[C@@H]1CCCO1)c1ccccc1 ZINC000022870942 818868696 /nfs/dbraw/zinc/86/86/96/818868696.db2.gz KQJWVEGMHYVVFD-RBBKRZOGSA-N 1 0 396.531 4.057 20 0 GIADRO CC(C)c1cccc(C(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000572611488 823369437 /nfs/dbraw/zinc/36/94/37/823369437.db2.gz AVELHXSCZHYRRV-UHFFFAOYSA-N 1 0 377.532 4.333 20 0 GIADRO COc1ccccc1SCC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000122541615 823369542 /nfs/dbraw/zinc/36/95/42/823369542.db2.gz PUYKAJRUEYELLH-AZUAARDMSA-N 1 0 398.572 4.299 20 0 GIADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(C)(C)c2csc(-c3cccs3)n2)C1 ZINC000410007822 823370148 /nfs/dbraw/zinc/37/01/48/823370148.db2.gz XTRVZVXFSJLNRW-ZIAGYGMSSA-N 1 0 377.579 4.138 20 0 GIADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2ccc(N3CCc4ccccc4C3)cc2)C1 ZINC000058272760 823373324 /nfs/dbraw/zinc/37/33/24/823373324.db2.gz ZXDQQFALKPKVFX-HXUWFJFHSA-N 1 0 391.559 4.100 20 0 GIADRO CC[N@H+](Cc1cc(-c2ccc(OC)cc2)no1)Cc1ccc(OC)c(OC)c1 ZINC000022972169 818881670 /nfs/dbraw/zinc/88/16/70/818881670.db2.gz SNIIZSBIVMSPOG-UHFFFAOYSA-N 1 0 382.460 4.390 20 0 GIADRO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)C1(c2ccc(F)cc2)CC1 ZINC000023016801 818888161 /nfs/dbraw/zinc/88/81/61/818888161.db2.gz SMVFYAGSQTZGRC-HXUWFJFHSA-N 1 0 386.898 4.464 20 0 GIADRO COC(=O)c1cccc(C[NH2+][C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)n1 ZINC000572625906 823371316 /nfs/dbraw/zinc/37/13/16/823371316.db2.gz AOLSLNFHXXXUBW-QGZVFWFLSA-N 1 0 380.366 4.008 20 0 GIADRO COc1ccc(CCC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000058248543 823371481 /nfs/dbraw/zinc/37/14/81/823371481.db2.gz ATTSZWCBEIZCAB-UHFFFAOYSA-N 1 0 386.923 4.062 20 0 GIADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2ccccc2Cl)CC1 ZINC000023139330 818903636 /nfs/dbraw/zinc/90/36/36/818903636.db2.gz VUSYRNPQIYCJDT-UHFFFAOYSA-N 1 0 378.303 4.388 20 0 GIADRO Cc1ccccc1NCCC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000058254633 823371951 /nfs/dbraw/zinc/37/19/51/823371951.db2.gz OWNWXLWPROLEML-LJQANCHMSA-N 1 0 379.548 4.345 20 0 GIADRO Cc1cc(-c2ncccc2NC(=O)N(CC[NH+](C)C)Cc2ccco2)cs1 ZINC000189187203 823372248 /nfs/dbraw/zinc/37/22/48/823372248.db2.gz PNLMFCHFVDQMAW-UHFFFAOYSA-N 1 0 384.505 4.307 20 0 GIADRO CC(C)c1c(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cnn1-c1ccccc1Cl ZINC000189187176 823372422 /nfs/dbraw/zinc/37/24/22/823372422.db2.gz BGWNMVYXQMOEMM-HUUCEWRRSA-N 1 0 386.927 4.004 20 0 GIADRO O=C(c1cc(-c2ccc(Cl)s2)on1)N1CCC([NH+]2CCCCC2)CC1 ZINC000058263546 823372484 /nfs/dbraw/zinc/37/24/84/823372484.db2.gz RTIJXYUSIRQDRQ-UHFFFAOYSA-N 1 0 379.913 4.147 20 0 GIADRO COc1ccc([C@@H](CNC(=O)CCc2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000023235416 818916146 /nfs/dbraw/zinc/91/61/46/818916146.db2.gz UZSQJNSCKHUBFT-OAQYLSRUSA-N 1 0 386.923 4.235 20 0 GIADRO C[C@H]1CN(C(C)(C)C[NH2+]Cc2c(-c3ccccc3)nc3sccn23)C[C@H](C)O1 ZINC000023268937 818918514 /nfs/dbraw/zinc/91/85/14/818918514.db2.gz YVZAQZKNMXEAFU-IRXDYDNUSA-N 1 0 398.576 4.040 20 0 GIADRO CCc1ccc(C(=O)Nc2sccc2C(=O)NC[C@@H]2CCC[N@@H+](CC)C2)cc1 ZINC000058274379 823373722 /nfs/dbraw/zinc/37/37/22/823373722.db2.gz HQERAAZUXHBAFX-KRWDZBQOSA-N 1 0 399.560 4.025 20 0 GIADRO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2CSc2nc(C)cs2)C1 ZINC000058275461 823373886 /nfs/dbraw/zinc/37/38/86/823373886.db2.gz AHMJTLYBDVBUHR-MRXNPFEDSA-N 1 0 389.590 4.206 20 0 GIADRO Cc1ccccc1[C@@H]1CN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)[C@H](C)CO1 ZINC000460391839 823373936 /nfs/dbraw/zinc/37/39/36/823373936.db2.gz VUROZSYCISPABD-YKSBVNFPSA-N 1 0 392.543 4.196 20 0 GIADRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)C1 ZINC000058276004 823373982 /nfs/dbraw/zinc/37/39/82/823373982.db2.gz SMHBMBCKZNIPBC-INIZCTEOSA-N 1 0 399.922 4.054 20 0 GIADRO COc1cccc([C@H](C)CC(=O)NC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000177129700 823378393 /nfs/dbraw/zinc/37/83/93/823378393.db2.gz ATGKTMMYMQYHOU-LJQANCHMSA-N 1 0 380.532 4.012 20 0 GIADRO C[NH2+]Cc1ccccc1NC(=O)COc1ccc(C2SCCCS2)cc1 ZINC000122572726 823374907 /nfs/dbraw/zinc/37/49/07/823374907.db2.gz ZRNUNMLKHOJCKW-UHFFFAOYSA-N 1 0 388.558 4.292 20 0 GIADRO COc1ccc(F)cc1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000189204051 823375245 /nfs/dbraw/zinc/37/52/45/823375245.db2.gz DUONAIHVUDUTNM-UHFFFAOYSA-N 1 0 388.446 4.372 20 0 GIADRO O=C(N1CCC[C@@H]2CCC[C@H]21)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000460395943 823375649 /nfs/dbraw/zinc/37/56/49/823375649.db2.gz YDKFLESYXPXGHQ-NLWGTHIKSA-N 1 0 380.454 4.232 20 0 GIADRO CC[C@@H](C(=O)Nc1cnn(-c2ccccc2F)c1C)[N@H+](C)Cc1ccccc1 ZINC000572654350 823375999 /nfs/dbraw/zinc/37/59/99/823375999.db2.gz BATBPWYKARBSDR-FQEVSTJZSA-N 1 0 380.467 4.169 20 0 GIADRO Cc1ccc(C(=O)CCC(=O)Nc2cccc(N3CC[NH+](C(C)C)CC3)c2)s1 ZINC000122579044 823376025 /nfs/dbraw/zinc/37/60/25/823376025.db2.gz YITFCQGXTKSRSW-UHFFFAOYSA-N 1 0 399.560 4.189 20 0 GIADRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(C(C)(C)c2ccccc2)cc1)c1ccccn1 ZINC000023675486 818972533 /nfs/dbraw/zinc/97/25/33/818972533.db2.gz FLFVAVCMOBPGOU-KNQAVFIVSA-N 1 0 390.527 4.498 20 0 GIADRO COc1ccc2cc(C(=O)NC[C@H](c3ccccc3)[NH+]3CCCC3)c(C)nc2c1 ZINC000023741825 818977880 /nfs/dbraw/zinc/97/78/80/818977880.db2.gz VTHVOOHCNLCBFO-HSZRJFAPSA-N 1 0 389.499 4.119 20 0 GIADRO FC(F)(F)c1cc(Cl)c(=S)n(CN2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000023847764 818986158 /nfs/dbraw/zinc/98/61/58/818986158.db2.gz SOXWOAHJCAFRPY-UHFFFAOYSA-N 1 0 388.846 4.064 20 0 GIADRO CC[NH+](CC)CCOc1ccc(C(=O)Nc2cc(-c3nnco3)ccc2C)cc1 ZINC000058328005 823378987 /nfs/dbraw/zinc/37/89/87/823378987.db2.gz LNCWKURGEUDIMP-UHFFFAOYSA-N 1 0 394.475 4.018 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(Br)cc1C(F)(F)F)c1cc[nH]c(=O)c1 ZINC000572668655 823379058 /nfs/dbraw/zinc/37/90/58/823379058.db2.gz NIWGOZCXSKYUOF-SECBINFHSA-N 1 0 375.188 4.419 20 0 GIADRO c1cn(CC[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)cn1 ZINC000024082106 819020511 /nfs/dbraw/zinc/02/05/11/819020511.db2.gz HOEDMYJDKOTBEP-UHFFFAOYSA-N 1 0 397.482 4.331 20 0 GIADRO CC(C)c1nnc(N2CCC[C@H]([NH+]3CCCC3)CC2)n1CCc1ccccc1 ZINC000460422146 823383957 /nfs/dbraw/zinc/38/39/57/823383957.db2.gz QHGVBWSDDKGYNJ-NRFANRHFSA-N 1 0 381.568 4.099 20 0 GIADRO c1ccc(CC[N@@H+](CCCc2nc(-c3ccccc3)no2)[C@H]2CCOC2)cc1 ZINC000177145736 823382361 /nfs/dbraw/zinc/38/23/61/823382361.db2.gz QPFCHKNIFFFWJH-NRFANRHFSA-N 1 0 377.488 4.003 20 0 GIADRO Cc1ccc(-c2cccc(C[NH+]3CCC(C(=O)Nc4nncs4)CC3)c2)cc1 ZINC000572683232 823382460 /nfs/dbraw/zinc/38/24/60/823382460.db2.gz MDSJMJLPKKCGCK-UHFFFAOYSA-N 1 0 392.528 4.364 20 0 GIADRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]Cc3ncccc3N(C)C)s2)cc1 ZINC000572686692 823383157 /nfs/dbraw/zinc/38/31/57/823383157.db2.gz YFVNITPGYHKPGK-AWEZNQCLSA-N 1 0 382.533 4.439 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)cc1 ZINC000058366763 823383382 /nfs/dbraw/zinc/38/33/82/823383382.db2.gz VIJHLESYZJDFIH-CYBMUJFWSA-N 1 0 393.409 4.433 20 0 GIADRO CCCN(CCC[NH+](C)C)C(=O)c1cc(-c2ccncc2)nc2ccccc21 ZINC000189266351 823383453 /nfs/dbraw/zinc/38/34/53/823383453.db2.gz SJVZMILNLPEGRE-UHFFFAOYSA-N 1 0 376.504 4.101 20 0 GIADRO Cc1nc2cc(NC(=O)N3CC[N@H+](Cc4ccccc4)C[C@@H](C)C3)ccc2o1 ZINC000572695603 823384862 /nfs/dbraw/zinc/38/48/62/823384862.db2.gz ZZGHUQSUEYATGD-MRXNPFEDSA-N 1 0 378.476 4.122 20 0 GIADRO O[C@@H](C[N@H+](CCc1nc(-c2ccccc2)no1)Cc1ccccc1)c1ccco1 ZINC000177153701 823385289 /nfs/dbraw/zinc/38/52/89/823385289.db2.gz LBIMLRYHZJKXJN-FQEVSTJZSA-N 1 0 389.455 4.108 20 0 GIADRO CC[C@H](C)c1nnc(N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)n1CCc1ccccc1 ZINC000460427579 823385741 /nfs/dbraw/zinc/38/57/41/823385741.db2.gz CJEXOVFWLLABKK-ZVDOUQERSA-N 1 0 381.568 4.097 20 0 GIADRO O=C(Nc1ccc(Oc2ccccc2F)nc1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000572703192 823386048 /nfs/dbraw/zinc/38/60/48/823386048.db2.gz AZJFONKSKZURAA-UHFFFAOYSA-N 1 0 384.455 4.011 20 0 GIADRO O[C@@H](C[N@H+](Cc1ccccc1)Cc1ccc(Br)cn1)c1ccco1 ZINC000177158699 823386838 /nfs/dbraw/zinc/38/68/38/823386838.db2.gz SRLFUSNMEZVSQN-SFHVURJKSA-N 1 0 387.277 4.173 20 0 GIADRO Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000572713787 823387521 /nfs/dbraw/zinc/38/75/21/823387521.db2.gz DMMJWDBHCLDHGX-KRWDZBQOSA-N 1 0 381.954 4.049 20 0 GIADRO C[C@H]1CCN(C(=O)NCC2CCC(F)(F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000410089012 823387608 /nfs/dbraw/zinc/38/76/08/823387608.db2.gz RXGOUNFVCYNDEN-KRWDZBQOSA-N 1 0 379.495 4.118 20 0 GIADRO Cc1ccccc1[C@H](OC[C@H](O)C[NH2+]CC[C@@H]1CCO[C@@H](C)C1)c1ccccc1 ZINC000572715196 823387725 /nfs/dbraw/zinc/38/77/25/823387725.db2.gz UUNUVTPXUCVLQH-KWLZBDKBSA-N 1 0 397.559 4.257 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@@H](C)CCc1cccn1C ZINC000122648933 823387894 /nfs/dbraw/zinc/38/78/94/823387894.db2.gz LJNMYKKGUJDAAN-LSDHHAIUSA-N 1 0 377.916 4.015 20 0 GIADRO Cc1nc(CC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)sc1C ZINC000122659338 823389305 /nfs/dbraw/zinc/38/93/05/823389305.db2.gz NMVCSIIRTNMXEU-UHFFFAOYSA-N 1 0 389.528 4.340 20 0 GIADRO Cc1nc(CSc2ccccc2C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cs1 ZINC000177164223 823388266 /nfs/dbraw/zinc/38/82/66/823388266.db2.gz SCIDMIASCOHASZ-HIFRSBDPSA-N 1 0 387.574 4.099 20 0 GIADRO CCOCCC1(CNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCCC1 ZINC000122672598 823391824 /nfs/dbraw/zinc/39/18/24/823391824.db2.gz OFXLXFQXVNLKAY-UHFFFAOYSA-N 1 0 387.568 4.069 20 0 GIADRO C[C@@H]([NH2+]C1c2ccccc2-c2ccccc21)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177185235 823394059 /nfs/dbraw/zinc/39/40/59/823394059.db2.gz LZFRNJBOBIMYBM-MRXNPFEDSA-N 1 0 392.524 4.358 20 0 GIADRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)NCC2CCC(F)(F)CC2)CC1 ZINC000410101861 823392074 /nfs/dbraw/zinc/39/20/74/823392074.db2.gz VQVWYBQYDXCMGP-UHFFFAOYSA-N 1 0 393.522 4.366 20 0 GIADRO CCC[N@@H+]1CC[C@H](CNC(=O)N(C)[C@@H](C)Cc2ccccc2C(F)(F)F)C1 ZINC000572747184 823392243 /nfs/dbraw/zinc/39/22/43/823392243.db2.gz BGAMSMVKNLOZIF-JKSUJKDBSA-N 1 0 385.474 4.010 20 0 GIADRO COc1cc2c(cc1OC)C[N@H+](CCc1nc(-c3cccc(Cl)c3)no1)CC2 ZINC000122676370 823392347 /nfs/dbraw/zinc/39/23/47/823392347.db2.gz TUZDHXLOJHPSPU-UHFFFAOYSA-N 1 0 399.878 4.008 20 0 GIADRO Cc1cc(C)n([C@@H](C)CC(=O)N[C@@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)n1 ZINC000410107450 823393921 /nfs/dbraw/zinc/39/39/21/823393921.db2.gz VINYQFIRSYCTPF-UGKGYDQZSA-N 1 0 396.579 4.040 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1Cl)c1ccccc1-n1cccn1 ZINC000177181129 823393109 /nfs/dbraw/zinc/39/31/09/823393109.db2.gz OODGUXBMCAYAPD-ZDUSSCGKSA-N 1 0 389.286 4.468 20 0 GIADRO CCCCN(C(=O)c1cccc(-n2cccn2)c1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000572755724 823393240 /nfs/dbraw/zinc/39/32/40/823393240.db2.gz JOHMTSMUSDYLFN-UHFFFAOYSA-N 1 0 382.552 4.424 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)c2cccnc2SCC2CCCCC2)CC[N@@H+]1C ZINC000122663455 823390153 /nfs/dbraw/zinc/39/01/53/823390153.db2.gz DTPMWDHSLWNLGB-SJLPKXTDSA-N 1 0 375.582 4.309 20 0 GIADRO CN(C)C[C@@H]([NH2+]C1CCC2(CC1)C(=O)Nc1ccccc12)c1ccc(Cl)cc1 ZINC000572738619 823390961 /nfs/dbraw/zinc/39/09/61/823390961.db2.gz NMPPKMJPCWQNRL-JRSYVHTFSA-N 1 0 397.950 4.365 20 0 GIADRO CC1CC[NH+]([C@H](CNC(=O)N[C@@H]2CCCC23CCOCC3)c2ccccc2)CC1 ZINC000410108644 823394134 /nfs/dbraw/zinc/39/41/34/823394134.db2.gz WRCFIWXDWSNVRK-FGZHOGPDSA-N 1 0 399.579 4.108 20 0 GIADRO CC1CC[NH+]([C@H](CNC(=O)N[C@H]2CCCC23CCOCC3)c2ccccc2)CC1 ZINC000410108652 823394170 /nfs/dbraw/zinc/39/41/70/823394170.db2.gz WRCFIWXDWSNVRK-YADHBBJMSA-N 1 0 399.579 4.108 20 0 GIADRO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)Cc1ccc(Cl)cc1 ZINC000189347520 823398479 /nfs/dbraw/zinc/39/84/79/823398479.db2.gz OSROVWCQSZXJFI-OAHLLOKOSA-N 1 0 378.925 4.073 20 0 GIADRO CSc1ccccc1[C@@H](C)NC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000410112816 823395348 /nfs/dbraw/zinc/39/53/48/823395348.db2.gz JIJSAWKSSRIFEQ-KDOFPFPSSA-N 1 0 375.513 4.211 20 0 GIADRO C[C@@H](NCc1cc(O)cc(C(F)(F)F)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000572767508 823395319 /nfs/dbraw/zinc/39/53/19/823395319.db2.gz OAZCCKBWYNKGIS-QAPCUYQASA-N 1 0 378.438 4.411 20 0 GIADRO CCOc1ccc(C(=O)N2CCC([NH2+][C@H](C)c3cccc(OC)c3)CC2)cc1 ZINC000177193128 823395535 /nfs/dbraw/zinc/39/55/35/823395535.db2.gz RYWOXZPTMBZCKR-QGZVFWFLSA-N 1 0 382.504 4.049 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)N2C[C@@H](c3ccccc3)O[C@@H](C)C2)c1 ZINC000410117467 823395858 /nfs/dbraw/zinc/39/58/58/823395858.db2.gz JAOULRGFBWWMHJ-CVDCTZTESA-N 1 0 395.547 4.200 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N[C@H]1CCc2sc(Cl)cc21 ZINC000572774605 823396831 /nfs/dbraw/zinc/39/68/31/823396831.db2.gz SERSKUOFPNKIFJ-KBPBESRZSA-N 1 0 379.913 4.118 20 0 GIADRO COc1cc(C[NH2+]CC(C)(C)c2ccc3c(c2)OCO3)cc(Cl)c1OC ZINC000058476303 823397257 /nfs/dbraw/zinc/39/72/57/823397257.db2.gz BBFHGTGUGDTQJK-UHFFFAOYSA-N 1 0 377.868 4.153 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1ccc(NC(=O)c2ccccc2)cc1)C1CCCCC1 ZINC000058476135 823397306 /nfs/dbraw/zinc/39/73/06/823397306.db2.gz PTYPPWLPNJHPNU-QFIPXVFZSA-N 1 0 393.531 4.179 20 0 GIADRO CN(C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1)c1cccc(O)c1 ZINC000572778572 823397418 /nfs/dbraw/zinc/39/74/18/823397418.db2.gz MJYZDNCGRJZQBU-UHFFFAOYSA-N 1 0 389.883 4.187 20 0 GIADRO Cc1c(C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cnn1CCC(C)C ZINC000122711037 823398906 /nfs/dbraw/zinc/39/89/06/823398906.db2.gz JLSJEYDHTQUURD-XLIONFOSSA-N 1 0 388.581 4.112 20 0 GIADRO C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000410130992 823398296 /nfs/dbraw/zinc/39/82/96/823398296.db2.gz AXSYHMVAADUZCB-GDBMZVCRSA-N 1 0 393.314 4.151 20 0 GIADRO COc1ccc(OC)c(NC(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)c1 ZINC000058522589 823403524 /nfs/dbraw/zinc/40/35/24/823403524.db2.gz GEVTYPYJVXTXFD-QGZVFWFLSA-N 1 0 397.519 4.400 20 0 GIADRO Cc1c(C[NH2+]C[C@@H](O)COCc2ccccc2Cl)oc2ccc(F)cc12 ZINC000572792364 823399435 /nfs/dbraw/zinc/39/94/35/823399435.db2.gz DDKDTWZDBQZUON-MRXNPFEDSA-N 1 0 377.843 4.201 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1ccccc1SC(F)(F)F ZINC000058497306 823400418 /nfs/dbraw/zinc/40/04/18/823400418.db2.gz CTXSJHUFVMIQPT-UHFFFAOYSA-N 1 0 395.450 4.088 20 0 GIADRO C[C@H]([NH2+][C@H](CN1CCCC1=O)c1ccccc1)c1ccc(Br)cc1 ZINC000177224480 823403734 /nfs/dbraw/zinc/40/37/34/823403734.db2.gz MXCKGYJOFPKYMC-HNAYVOBHSA-N 1 0 387.321 4.463 20 0 GIADRO Cc1cc([C@H](C)NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)ccc1F ZINC000460481676 823403794 /nfs/dbraw/zinc/40/37/94/823403794.db2.gz ZAVPXIIUBRJZFW-NYVOZVTQSA-N 1 0 395.522 4.359 20 0 GIADRO COc1cccc(-c2ccc(CNC(=O)[C@@H](Cc3ccccc3)[NH+](C)C)cc2)c1 ZINC000460475724 823401750 /nfs/dbraw/zinc/40/17/50/823401750.db2.gz MHNVUDPBPPOUGN-XMMPIXPASA-N 1 0 388.511 4.151 20 0 GIADRO CCOC(=O)N1CCC([C@@H](C)[NH2+]Cc2ccc(OCc3ccccn3)cc2)CC1 ZINC000189366508 823401773 /nfs/dbraw/zinc/40/17/73/823401773.db2.gz NBGGJJUBHFKOOY-GOSISDBHSA-N 1 0 397.519 4.007 20 0 GIADRO C[C@H]([NH2+][C@@H](CN1CCCC1=O)c1ccccc1)c1ccc(Br)cc1 ZINC000177224444 823403866 /nfs/dbraw/zinc/40/38/66/823403866.db2.gz MXCKGYJOFPKYMC-KXBFYZLASA-N 1 0 387.321 4.463 20 0 GIADRO C[C@H](NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)c1ccc(F)cc1F ZINC000460476756 823402188 /nfs/dbraw/zinc/40/21/88/823402188.db2.gz QFTHNRHDJHVVRF-UHOSZYNNSA-N 1 0 399.485 4.189 20 0 GIADRO COc1ccccc1C[C@@H]1CCC[N@@H+]1CC(=O)N(C)Cc1ccc(SC)cc1 ZINC000058525528 823403951 /nfs/dbraw/zinc/40/39/51/823403951.db2.gz GOKBIMFMLHYEIB-FQEVSTJZSA-N 1 0 398.572 4.083 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@@H]2CCOc3c(C)cccc32)cc1Cn1cccn1 ZINC000189378474 823404118 /nfs/dbraw/zinc/40/41/18/823404118.db2.gz SRSJRAGLPWMDAU-LAUBAEHRSA-N 1 0 377.488 4.423 20 0 GIADRO CCn1c(C[NH2+][C@H](C)[C@@H](OC2CCOCC2)c2ccccc2)nc2ccccc21 ZINC000122744709 823404552 /nfs/dbraw/zinc/40/45/52/823404552.db2.gz OYCFTFKAPSLONF-HOYKHHGWSA-N 1 0 393.531 4.471 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)NCc2cccs2)CC1 ZINC000572815737 823405022 /nfs/dbraw/zinc/40/50/22/823405022.db2.gz XIYNSMPOPTXJSQ-UHFFFAOYSA-N 1 0 379.913 4.196 20 0 GIADRO CC[NH+](CC)CCNC(=O)CCc1c2cc(F)ccc2[nH]c1-c1ccccc1 ZINC000058543881 823406942 /nfs/dbraw/zinc/40/69/42/823406942.db2.gz DVOMETLIXVVSJX-UHFFFAOYSA-N 1 0 381.495 4.365 20 0 GIADRO COc1ccccc1-c1noc(C2CC[NH+](CCc3ncc(C)cc3C)CC2)n1 ZINC000572838249 823407823 /nfs/dbraw/zinc/40/78/23/823407823.db2.gz YZZXDNMVUKPIME-UHFFFAOYSA-N 1 0 392.503 4.179 20 0 GIADRO Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000572839555 823408146 /nfs/dbraw/zinc/40/81/46/823408146.db2.gz SDBHFAULARKQAC-ZDUSSCGKSA-N 1 0 395.981 4.295 20 0 GIADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)C[C@@H](C)c2ccc(Br)cc2)C1 ZINC000122768429 823408949 /nfs/dbraw/zinc/40/89/49/823408949.db2.gz VKJJWXJKBUQFRD-CVEARBPZSA-N 1 0 381.358 4.133 20 0 GIADRO O=C(Nc1nc(-c2cccs2)cs1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000572865960 823411603 /nfs/dbraw/zinc/41/16/03/823411603.db2.gz LFOXRNCZDDGFQA-CYBMUJFWSA-N 1 0 379.576 4.028 20 0 GIADRO CN(Cc1csc(-c2cccs2)n1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177261732 823413066 /nfs/dbraw/zinc/41/30/66/823413066.db2.gz YVRJFJKZDSJJDK-UHFFFAOYSA-N 1 0 398.601 4.406 20 0 GIADRO CC(C)(C)c1ncc(/C=C/C(=O)NC2CC[NH+](C3CCCCC3)CC2)s1 ZINC000177261371 823413094 /nfs/dbraw/zinc/41/30/94/823413094.db2.gz HIDXQAMIIWFMPY-MDZDMXLPSA-N 1 0 375.582 4.367 20 0 GIADRO COc1ccc2ccccc2c1CNC(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000410182244 823413253 /nfs/dbraw/zinc/41/32/53/823413253.db2.gz YZYXDDXRGDWZNC-UHFFFAOYSA-N 1 0 391.515 4.122 20 0 GIADRO Cc1ccccc1C1(C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)CCOCC1 ZINC000177249106 823409329 /nfs/dbraw/zinc/40/93/29/823409329.db2.gz PRHGBWHXQCDYQY-UHFFFAOYSA-N 1 0 388.552 4.032 20 0 GIADRO COc1ccc(C[N@H+](C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c(C)c1OC ZINC000572886183 823414117 /nfs/dbraw/zinc/41/41/17/823414117.db2.gz CLTAQXOORASOHD-PGRDOPGGSA-N 1 0 382.548 4.497 20 0 GIADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(NC(=O)OC(C)(C)C)cc2)C1 ZINC000122800397 823414460 /nfs/dbraw/zinc/41/44/60/823414460.db2.gz BXHPYVOFGAMBNJ-INIZCTEOSA-N 1 0 390.528 4.133 20 0 GIADRO Cc1nc(CC[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)sc1C ZINC000122802362 823414669 /nfs/dbraw/zinc/41/46/69/823414669.db2.gz CKLKDWUBPDSBCX-UHFFFAOYSA-N 1 0 391.338 4.245 20 0 GIADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)N(Cc1c(F)cccc1F)C1CC1 ZINC000189433523 823415048 /nfs/dbraw/zinc/41/50/48/823415048.db2.gz YIXNBNITCJEYEW-UHFFFAOYSA-N 1 0 391.506 4.436 20 0 GIADRO C[N@@H+]1CCN(CCC(=O)Nc2cc(Cl)ccc2Cl)CC12CCCCC2 ZINC000572896303 823415975 /nfs/dbraw/zinc/41/59/75/823415975.db2.gz MZUNAKXLAFOZJB-UHFFFAOYSA-N 1 0 384.351 4.272 20 0 GIADRO CCCOc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000177269553 823416048 /nfs/dbraw/zinc/41/60/48/823416048.db2.gz SOPWICRJIZYECO-IAGOWNOFSA-N 1 0 390.549 4.138 20 0 GIADRO Cc1nc(CSc2ccc(C(=O)N(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)cc2)cs1 ZINC000122812032 823416384 /nfs/dbraw/zinc/41/63/84/823416384.db2.gz YUKCMCVXCMKVJQ-RDTXWAMCSA-N 1 0 389.590 4.299 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)C1(c2cccc(F)c2)CCC1)c1cccc(OC)c1 ZINC000058612636 823416878 /nfs/dbraw/zinc/41/68/78/823416878.db2.gz LZFHDFNQSLBBHC-JOCHJYFZSA-N 1 0 398.522 4.455 20 0 GIADRO CCn1c(-c2cccc(C)n2)nnc1N1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000572902713 823417092 /nfs/dbraw/zinc/41/70/92/823417092.db2.gz OUWVOCJDFKPURY-UHFFFAOYSA-N 1 0 398.599 4.253 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N(C)[C@@H](c2ccccc2)C(C)C)cc1 ZINC000189443131 823417361 /nfs/dbraw/zinc/41/73/61/823417361.db2.gz FSUVIFBQPSLYIZ-JOCHJYFZSA-N 1 0 395.547 4.323 20 0 GIADRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)N(CCC(F)(F)F)CC1CC1 ZINC000177279548 823419430 /nfs/dbraw/zinc/41/94/30/823419430.db2.gz SOIWXBYLXSMDAG-UHFFFAOYSA-N 1 0 397.485 4.273 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)N(CCC(F)(F)F)CC1CC1 ZINC000177264683 823414056 /nfs/dbraw/zinc/41/40/56/823414056.db2.gz XQCRXMOBWVFAJD-UHFFFAOYSA-N 1 0 383.458 4.156 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCC1)Nc1ccc2c(c1)C(=O)CCC2 ZINC000177287402 823422010 /nfs/dbraw/zinc/42/20/10/823422010.db2.gz PIXXRMBMORSBOK-UHFFFAOYSA-N 1 0 377.488 4.123 20 0 GIADRO CCOc1c(Cl)cc(C[NH2+]CC2CCN(CC(F)(F)F)CC2)cc1OC ZINC000189462066 823422092 /nfs/dbraw/zinc/42/20/92/823422092.db2.gz WKPDVANXVKKWSS-UHFFFAOYSA-N 1 0 394.865 4.111 20 0 GIADRO C/C(=C\C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccccc1OC(F)F ZINC000177287729 823422085 /nfs/dbraw/zinc/42/20/85/823422085.db2.gz MJCZSAKIGPCZHG-INFVRCAFSA-N 1 0 378.463 4.168 20 0 GIADRO C[C@@H]([NH2+][C@H](c1ccc(F)cc1)C1CCC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177292610 823423480 /nfs/dbraw/zinc/42/34/80/823423480.db2.gz ZJCARQBNOPBHDB-VFNWGFHPSA-N 1 0 390.524 4.268 20 0 GIADRO CC1(C)[C@@H](c2ccccc2)C[C@@H]1[NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000122858581 823424845 /nfs/dbraw/zinc/42/48/45/823424845.db2.gz RBRTYFAODFNVQH-PKTZIBPZSA-N 1 0 391.559 4.261 20 0 GIADRO Clc1cnn([C@H]2CC[N@H+](Cc3cn(C4CCCC4)nc3-c3ccccn3)C2)c1 ZINC000572938109 823423970 /nfs/dbraw/zinc/42/39/70/823423970.db2.gz VJOGJXHZVHSWHG-IBGZPJMESA-N 1 0 396.926 4.357 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)CCc2cccc(F)c2Br)CC1 ZINC000572947379 823425295 /nfs/dbraw/zinc/42/52/95/823425295.db2.gz ZWAAQNAONIHBGB-UHFFFAOYSA-N 1 0 399.348 4.100 20 0 GIADRO COCCc1ccccc1NC(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000189476326 823425459 /nfs/dbraw/zinc/42/54/59/823425459.db2.gz PRTPCAPYZLCRDV-RTBURBONSA-N 1 0 395.547 4.154 20 0 GIADRO CCN(Cc1ccccc1)C(=O)C[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000410226323 823425535 /nfs/dbraw/zinc/42/55/35/823425535.db2.gz FDJFBKXPJYNPPF-HNNXBMFYSA-N 1 0 375.310 4.148 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)CC(Cc2ccccc2)Cc2ccccc2)CC[N@@H+]1C ZINC000177298654 823425570 /nfs/dbraw/zinc/42/55/70/823425570.db2.gz LMBZKQJNZMHASJ-HYBUGGRVSA-N 1 0 378.560 4.419 20 0 GIADRO CC(C)(C)OC(=O)N1CC=C(C[NH2+]Cc2cccc(-c3ccccn3)c2)CC1 ZINC000189477476 823425744 /nfs/dbraw/zinc/42/57/44/823425744.db2.gz MBBWXOYQTKBLQK-UHFFFAOYSA-N 1 0 379.504 4.405 20 0 GIADRO FC(F)(F)c1cccnc1OCC[NH2+]Cc1csc(-c2ccsc2)n1 ZINC000122865691 823425882 /nfs/dbraw/zinc/42/58/82/823425882.db2.gz WEQFZFMIMVOPQG-UHFFFAOYSA-N 1 0 385.436 4.454 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)NCc3ncc(-c4ccccc4)cn3)ccc21 ZINC000572955595 823426543 /nfs/dbraw/zinc/42/65/43/823426543.db2.gz AAKNIWDOMAEJSP-NRFANRHFSA-N 1 0 387.487 4.014 20 0 GIADRO Cc1ccccc1C1(C[NH2+][C@H]2CCN(C)[C@@H](c3ccccc3)C2)CCOCC1 ZINC000572979055 823429372 /nfs/dbraw/zinc/42/93/72/823429372.db2.gz QXBYVGBVDVOJLZ-LADGPHEKSA-N 1 0 378.560 4.468 20 0 GIADRO CSc1ccc([C@H](C)NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000410235911 823429435 /nfs/dbraw/zinc/42/94/35/823429435.db2.gz JXRLZYZPVQHDQA-IBGZPJMESA-N 1 0 397.588 4.188 20 0 GIADRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000460552231 823429488 /nfs/dbraw/zinc/42/94/88/823429488.db2.gz VTFCXBMZMOSNEY-AWEZNQCLSA-N 1 0 394.972 4.034 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1cnc(-c2ccc3c(c2)OCO3)s1 ZINC000177305586 823427727 /nfs/dbraw/zinc/42/77/27/823427727.db2.gz QHIZRGXJGGEMFF-UHFFFAOYSA-N 1 0 395.484 4.161 20 0 GIADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)CSCc2ccc(Cl)cc2)CC1 ZINC000122880734 823427952 /nfs/dbraw/zinc/42/79/52/823427952.db2.gz MPPLAIFRIQTOHS-UHFFFAOYSA-N 1 0 392.952 4.289 20 0 GIADRO COc1ccc(-c2ncc(C(=O)Nc3cc(C[NH+](C)C)ccc3C)s2)cc1 ZINC000177306982 823428274 /nfs/dbraw/zinc/42/82/74/823428274.db2.gz CRGHNKPWDDITAH-UHFFFAOYSA-N 1 0 381.501 4.441 20 0 GIADRO Cc1noc(CSc2ccccc2C(=O)Nc2cc(C[NH+](C)C)ccc2C)n1 ZINC000177309571 823428606 /nfs/dbraw/zinc/42/86/06/823428606.db2.gz GAQIYECYCFDNMY-UHFFFAOYSA-N 1 0 396.516 4.293 20 0 GIADRO C[C@H](CC(=O)Nc1ccccc1)[NH2+]CC1(c2ccccc2Cl)CCOCC1 ZINC000177314484 823430106 /nfs/dbraw/zinc/43/01/06/823430106.db2.gz PPIUMHWLOOBZSU-QGZVFWFLSA-N 1 0 386.923 4.395 20 0 GIADRO C[C@@H](CC(=O)Nc1ccccc1)[NH2+]CC1(c2ccccc2Cl)CCOCC1 ZINC000177314463 823430162 /nfs/dbraw/zinc/43/01/62/823430162.db2.gz PPIUMHWLOOBZSU-KRWDZBQOSA-N 1 0 386.923 4.395 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+][C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)[C@@H]1n1cccn1 ZINC000572990887 823430682 /nfs/dbraw/zinc/43/06/82/823430682.db2.gz JVKZJEYKGGSDLC-MANSERQUSA-N 1 0 395.425 4.241 20 0 GIADRO CC(C)[C@H]([NH2+][C@@H]1CCCc2cc(S(N)(=O)=O)ccc21)c1ccccc1Cl ZINC000572991065 823430767 /nfs/dbraw/zinc/43/07/67/823430767.db2.gz SGWZSNYXUMTPJG-UXHICEINSA-N 1 0 392.952 4.352 20 0 GIADRO Cc1ccccc1C(C)(C)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000058699243 823434505 /nfs/dbraw/zinc/43/45/05/823434505.db2.gz ZDKCWPMUJLEVPN-UHFFFAOYSA-N 1 0 391.559 4.443 20 0 GIADRO CC(=O)c1cccc(OCCCC(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)c1 ZINC000058698703 823434555 /nfs/dbraw/zinc/43/45/55/823434555.db2.gz QNUVZBQIOJYIMR-UHFFFAOYSA-N 1 0 394.515 4.325 20 0 GIADRO CN(C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000460557040 823431912 /nfs/dbraw/zinc/43/19/12/823431912.db2.gz UQMXUPWOFIMFCZ-XMTFNYHQSA-N 1 0 383.458 4.194 20 0 GIADRO O=C(Nc1cccnc1-c1ccc(Cl)s1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000189505656 823433128 /nfs/dbraw/zinc/43/31/28/823433128.db2.gz UUGWZRXNXKVQBU-AWEZNQCLSA-N 1 0 390.940 4.413 20 0 GIADRO Fc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](c4nc5ccccc5o4)C3)n2)cc1 ZINC000024665218 819862263 /nfs/dbraw/zinc/86/22/63/819862263.db2.gz UJYYTHBBHCGDKP-OAHLLOKOSA-N 1 0 378.407 4.397 20 0 GIADRO CC(C)[C@H]([NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)c1ccc(F)cc1 ZINC000024679910 819863904 /nfs/dbraw/zinc/86/39/04/819863904.db2.gz YGUBKMAGNBGMEL-GCJKJVERSA-N 1 0 388.446 4.350 20 0 GIADRO Cc1cc(C[NH2+]Cc2cnc(N3CCOCC3)s2)ccc1-c1ccccc1 ZINC000189509328 823433773 /nfs/dbraw/zinc/43/37/73/823433773.db2.gz DPDCIAAXPNUMSY-UHFFFAOYSA-N 1 0 379.529 4.245 20 0 GIADRO CCS[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N[C@H](c1nccs1)c1ccccc1 ZINC000189511231 823434055 /nfs/dbraw/zinc/43/40/55/823434055.db2.gz BFQFGCJKMPPKAY-SCTDSRPQSA-N 1 0 389.590 4.003 20 0 GIADRO O=C(Nc1cccnc1-c1ccc(Cl)s1)NC1CC[NH+](C2CC2)CC1 ZINC000189514606 823435227 /nfs/dbraw/zinc/43/52/27/823435227.db2.gz NGEQYAHJQXKHHL-UHFFFAOYSA-N 1 0 376.913 4.212 20 0 GIADRO C[NH+](C)Cc1ccccc1NC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000024808555 819879675 /nfs/dbraw/zinc/87/96/75/819879675.db2.gz YPBGIVGPNOHUMR-UHFFFAOYSA-N 1 0 383.492 4.276 20 0 GIADRO Cc1nc(NC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)sc1C(F)(F)F ZINC000573024342 823435406 /nfs/dbraw/zinc/43/54/06/823435406.db2.gz CVFDMYAQPIBRCV-UHFFFAOYSA-N 1 0 398.454 4.210 20 0 GIADRO C[C@H](OCCCNC(=O)NC1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000177329059 823435395 /nfs/dbraw/zinc/43/53/95/823435395.db2.gz RZUVWUFEOUYUPF-IBGZPJMESA-N 1 0 387.568 4.251 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)c2cc(C)nc3c2cnn3C(C)C)c1 ZINC000024926965 819896273 /nfs/dbraw/zinc/89/62/73/819896273.db2.gz PMNUFFBHDXHKKN-UHFFFAOYSA-N 1 0 379.508 4.415 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)c2cc(C)n(-c3cc(C)on3)c2C)c1 ZINC000024927071 819896384 /nfs/dbraw/zinc/89/63/84/819896384.db2.gz GQCYXPDSEDCYDV-UHFFFAOYSA-N 1 0 380.492 4.485 20 0 GIADRO O[C@H](COc1ccc(Oc2ccccc2)cc1)C[N@@H+]1CCCC2(CCOCC2)C1 ZINC000573030660 823436843 /nfs/dbraw/zinc/43/68/43/823436843.db2.gz OBJYVYBYYWDZEI-FQEVSTJZSA-N 1 0 397.515 4.111 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)Cc1csc(Cc2ccccc2)n1 ZINC000177342753 823440459 /nfs/dbraw/zinc/44/04/59/823440459.db2.gz KOXTWOKRJPTCHN-UHFFFAOYSA-N 1 0 379.529 4.285 20 0 GIADRO COc1cc(C[C@H](CO)C[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)cc(OC)c1 ZINC000573040814 823438377 /nfs/dbraw/zinc/43/83/77/823438377.db2.gz RJPGKBLVTOXOAZ-GAJHUEQPSA-N 1 0 394.515 4.003 20 0 GIADRO CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)[NH+]2CCC3(CCCC3)CC2)c1 ZINC000573045868 823439333 /nfs/dbraw/zinc/43/93/33/823439333.db2.gz GGOPAQQGRZWKER-SFHVURJKSA-N 1 0 385.552 4.152 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCSc2ccc(Cl)cc21)C(=O)Nc1ccc2c(c1)OCO2 ZINC000025215617 819944241 /nfs/dbraw/zinc/94/42/41/819944241.db2.gz JPEJJMQEONFVTR-IAQYHMDHSA-N 1 0 390.892 4.222 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1cc(F)ccc1NC(=O)[C@@H]1C[C@H]1C ZINC000177348073 823441807 /nfs/dbraw/zinc/44/18/07/823441807.db2.gz ITODPVWGKCHNAN-RHSMWYFYSA-N 1 0 383.467 4.043 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1cccc(NC(=O)OC(C)(C)C)c1)c1ccsc1 ZINC000025330863 819964530 /nfs/dbraw/zinc/96/45/30/819964530.db2.gz WVBIZIWVXJTPPU-QGZVFWFLSA-N 1 0 389.521 4.128 20 0 GIADRO Cc1ccc(-n2ncc(C(=O)NCCC[NH+]3CCC(C)CC3)c2C(C)C)cc1 ZINC000058736695 823442067 /nfs/dbraw/zinc/44/20/67/823442067.db2.gz OLKWNJFIHJSUOA-UHFFFAOYSA-N 1 0 382.552 4.156 20 0 GIADRO Cc1ccc([C@H]([NH2+]CCC(=O)NC(=O)Nc2ccccc2)c2ccccc2)cc1 ZINC000025366488 819970664 /nfs/dbraw/zinc/97/06/64/819970664.db2.gz DBLUWLKCDIIHTJ-HSZRJFAPSA-N 1 0 387.483 4.412 20 0 GIADRO COCc1c(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)sc2cccc(F)c21 ZINC000025421287 819978046 /nfs/dbraw/zinc/97/80/46/819978046.db2.gz XHYXPYIXBMAFCQ-KRWDZBQOSA-N 1 0 386.492 4.220 20 0 GIADRO C[NH+](C)C1(CNC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)CCCCCC1 ZINC000025443615 819981377 /nfs/dbraw/zinc/98/13/77/819981377.db2.gz KNORWDCIVHUGPG-UHFFFAOYSA-N 1 0 389.540 4.418 20 0 GIADRO CCc1c(C(=O)Nc2cc(C[NH+](C)C)ccc2C)cnn1Cc1ccccc1 ZINC000177355961 823443919 /nfs/dbraw/zinc/44/39/19/823443919.db2.gz LKQWBJAWSHEPSK-UHFFFAOYSA-N 1 0 376.504 4.116 20 0 GIADRO COc1cc(F)c(NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1F ZINC000177358588 823444099 /nfs/dbraw/zinc/44/40/99/823444099.db2.gz BYPUSIYXXMMZER-UHFFFAOYSA-N 1 0 389.446 4.007 20 0 GIADRO CC1CCC(N(C[C@@H]2CCCO2)C(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000460589812 823446571 /nfs/dbraw/zinc/44/65/71/823446571.db2.gz BVLNTHVTDHAFFT-BOYUCYPVSA-N 1 0 398.591 4.485 20 0 GIADRO CCS[C@H]1CC[C@@H](N(C)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000122997157 823445801 /nfs/dbraw/zinc/44/58/01/823445801.db2.gz ANDLYMJIRHXPKT-UXHICEINSA-N 1 0 375.582 4.098 20 0 GIADRO Cc1cc(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)c(C)n1Cc1ccccc1 ZINC000025813896 820028178 /nfs/dbraw/zinc/02/81/78/820028178.db2.gz JMWPJBFSSKOKJN-OAQYLSRUSA-N 1 0 381.545 4.247 20 0 GIADRO CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000122965054 823440962 /nfs/dbraw/zinc/44/09/62/823440962.db2.gz JQNAFJHPKAUONI-SFTDATJTSA-N 1 0 397.519 4.196 20 0 GIADRO CC(C)Cn1c(Cc2ccsc2)nnc1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000460592094 823447783 /nfs/dbraw/zinc/44/77/83/823447783.db2.gz QZSHWMMPNUCFBB-IBGZPJMESA-N 1 0 387.597 4.041 20 0 GIADRO Cc1cc(C(=O)NC[C@@H](C(C)C)[N@@H+]2CCc3ccccc3C2)c(C)n1C1CC1 ZINC000025918437 820038889 /nfs/dbraw/zinc/03/88/89/820038889.db2.gz WDQHAWOJRGPSJW-QHCPKHFHSA-N 1 0 379.548 4.253 20 0 GIADRO CCOCc1nnc(N(CC)[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)n1CC(C)C ZINC000460592718 823448006 /nfs/dbraw/zinc/44/80/06/823448006.db2.gz VDDOSYCUWACKSJ-PZJWPPBQSA-N 1 0 399.583 4.132 20 0 GIADRO O=C(CC[NH+]1CCC(CCc2ccc(O)cc2)CC1)N1CCc2ccccc21 ZINC000025937541 820042127 /nfs/dbraw/zinc/04/21/27/820042127.db2.gz VCYTWNUFRUIJNP-UHFFFAOYSA-N 1 0 378.516 4.016 20 0 GIADRO CC[N@H+](CCC(=O)Nc1cccc(Cl)c1)Cc1ccc(OC)c(OC)c1 ZINC000025936021 820042314 /nfs/dbraw/zinc/04/23/14/820042314.db2.gz CEULGKNAOMUMGZ-UHFFFAOYSA-N 1 0 376.884 4.208 20 0 GIADRO COc1cc(C)c(C[N@H+](C)Cc2ccc(-n3nc(C)cc3C)cc2)cc1OC ZINC000025945917 820043169 /nfs/dbraw/zinc/04/31/69/820043169.db2.gz IILZWUJFCHTCJE-UHFFFAOYSA-N 1 0 379.504 4.447 20 0 GIADRO CN(Cc1ccc(Cl)s1)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000026165337 820065572 /nfs/dbraw/zinc/06/55/72/820065572.db2.gz ONHCQCHDAVEUSQ-UHFFFAOYSA-N 1 0 391.968 4.380 20 0 GIADRO CN(Cc1ccccc1Cl)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000026165450 820066275 /nfs/dbraw/zinc/06/62/75/820066275.db2.gz AYPXGIHXIBCEEV-UHFFFAOYSA-N 1 0 385.939 4.318 20 0 GIADRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)CCCc2ccc(Br)s2)C[C@@H](C)C1 ZINC000573118891 823449871 /nfs/dbraw/zinc/44/98/71/823449871.db2.gz TYBGFHJBBCVHBZ-OFQRWUPVSA-N 1 0 399.398 4.022 20 0 GIADRO COCCc1ccccc1NC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000189578773 823449966 /nfs/dbraw/zinc/44/99/66/823449966.db2.gz WRFRODIMHZJQLT-IBGZPJMESA-N 1 0 387.568 4.384 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(OCCF)c1 ZINC000123027978 823450000 /nfs/dbraw/zinc/45/00/00/823450000.db2.gz GUOQKIYIJLSMJQ-HXUWFJFHSA-N 1 0 399.510 4.411 20 0 GIADRO COc1ccc(C2(C(=O)NCCC[N@@H+]3CCc4ccccc4C3)CCCC2)cc1 ZINC000058795743 823453436 /nfs/dbraw/zinc/45/34/36/823453436.db2.gz CGLIXTOKPKHMJO-UHFFFAOYSA-N 1 0 392.543 4.072 20 0 GIADRO CCC[N@H+](C)[C@@H](CNC(=O)Nc1cnn(C(C)C)c1)c1ccc(Cl)cc1 ZINC000573120742 823450226 /nfs/dbraw/zinc/45/02/26/823450226.db2.gz CDYWBXHPJNPZOL-SFHVURJKSA-N 1 0 377.920 4.322 20 0 GIADRO COc1cccc([C@@H](CNC(=O)c2sc(-c3ccccc3)nc2C)[NH+](C)C)c1 ZINC000026244916 820074008 /nfs/dbraw/zinc/07/40/08/820074008.db2.gz YYPIMHRVHHUOMS-LJQANCHMSA-N 1 0 395.528 4.160 20 0 GIADRO CCCn1nccc1C1CCN(C(=O)[C@@H](c2ccccc2)[NH+](CC)CC)CC1 ZINC000410289546 823450704 /nfs/dbraw/zinc/45/07/04/823450704.db2.gz PDNOAVWLVDWGNI-JOCHJYFZSA-N 1 0 382.552 4.082 20 0 GIADRO c1cc(-c2nc3ccccc3s2)oc1C[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000026305139 820080267 /nfs/dbraw/zinc/08/02/67/820080267.db2.gz QGHAYCXJZZCVBS-OAHLLOKOSA-N 1 0 378.453 4.486 20 0 GIADRO COC(=O)c1ccc(C[N@H+](C)CCC(=O)Nc2cccc3ccccc32)cc1 ZINC000026321199 820082628 /nfs/dbraw/zinc/08/26/28/820082628.db2.gz HVDGGRQUPJZFMB-UHFFFAOYSA-N 1 0 376.456 4.087 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)c2cccc(OC[C@H]3CCCO3)c2)cc1 ZINC000026349658 820087412 /nfs/dbraw/zinc/08/74/12/820087412.db2.gz RLVSEVAZOPSYGG-HSZRJFAPSA-N 1 0 396.531 4.016 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)cc1 ZINC000026369246 820091100 /nfs/dbraw/zinc/09/11/00/820091100.db2.gz BOEFOYKDLZXFHU-CABCVRRESA-N 1 0 385.895 4.145 20 0 GIADRO COc1cccc(CN(C)C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)c1 ZINC000026381680 820092203 /nfs/dbraw/zinc/09/22/03/820092203.db2.gz RDGKLWLZPCPTTL-UHFFFAOYSA-N 1 0 395.547 4.269 20 0 GIADRO Cc1cc(C(=O)NCc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)on1 ZINC000026404178 820094436 /nfs/dbraw/zinc/09/44/36/820094436.db2.gz SVUXJKWAUGNTCN-UHFFFAOYSA-N 1 0 375.472 4.176 20 0 GIADRO COCC[N@@H+](CC(=O)Nc1cc2oc3ccccc3c2cc1OC)CC(C)C ZINC000026449948 820098287 /nfs/dbraw/zinc/09/82/87/820098287.db2.gz ATHKNYSDZWKEJL-UHFFFAOYSA-N 1 0 384.476 4.138 20 0 GIADRO Cn1ccnc1COc1ccc(C[N@@H+]2CCC[C@H]2CC(=O)c2cccs2)cc1 ZINC000177394382 823452577 /nfs/dbraw/zinc/45/25/77/823452577.db2.gz MOAQAFFOCFWCBY-SFHVURJKSA-N 1 0 395.528 4.298 20 0 GIADRO Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123047241 823452733 /nfs/dbraw/zinc/45/27/33/823452733.db2.gz LXZBMSNKPFAZJW-PWSUYJOCSA-N 1 0 385.455 4.178 20 0 GIADRO COC(=O)c1cccc(CN(Cc2cc(Br)ccc2F)C(C)C)n1 ZINC000573171826 823459817 /nfs/dbraw/zinc/45/98/17/823459817.db2.gz KYZFOQGUZWLCHH-UHFFFAOYSA-N 1 0 395.272 4.180 20 0 GIADRO COCCc1ccccc1NC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000189594938 823454468 /nfs/dbraw/zinc/45/44/68/823454468.db2.gz SYGMIRHCSJMMHJ-NRFANRHFSA-N 1 0 381.520 4.052 20 0 GIADRO CC[C@@H]1c2ccsc2CCN1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000410310157 823459340 /nfs/dbraw/zinc/45/93/40/823459340.db2.gz HZMALBUWAWMFJZ-OAQYLSRUSA-N 1 0 397.588 4.474 20 0 GIADRO O[C@@H](COc1ccc2ccccc2c1)C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000026715725 820136258 /nfs/dbraw/zinc/13/62/58/820136258.db2.gz CCGCACQOQUCTRD-IRLDBZIGSA-N 1 0 397.540 4.322 20 0 GIADRO Cc1ccnc(-c2ccc(NC(=O)N[C@@H]3CC[N@@H+](C)[C@@H]3c3ccccc3)cc2)n1 ZINC000189604909 823456591 /nfs/dbraw/zinc/45/65/91/823456591.db2.gz MZPLBECEQIOTRF-NHCUHLMSSA-N 1 0 387.487 4.019 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1ccc(Cn2ccnc2)cc1)CC3 ZINC000123085641 823459481 /nfs/dbraw/zinc/45/94/81/823459481.db2.gz OLHHZHYGOZFNII-LJQANCHMSA-N 1 0 386.499 4.068 20 0 GIADRO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]CCc1cn2ccccc2n1 ZINC000123084479 823459535 /nfs/dbraw/zinc/45/95/35/823459535.db2.gz HNZBMINQDFYFLK-UHFFFAOYSA-N 1 0 393.922 4.182 20 0 GIADRO Cc1nc(Cc2ccccc2)sc1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000177415735 823457246 /nfs/dbraw/zinc/45/72/46/823457246.db2.gz PIURSIMMODHXBI-UHFFFAOYSA-N 1 0 383.561 4.179 20 0 GIADRO CCOc1c(Cl)cc(C[NH2+]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)cc1OC ZINC000189608444 823457270 /nfs/dbraw/zinc/45/72/70/823457270.db2.gz BLAJSGQPMVEUEZ-SUMWQHHRSA-N 1 0 395.849 4.321 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)/C=C/c3ccccc3Cl)c(C)c2)CC1 ZINC000026908823 820162464 /nfs/dbraw/zinc/16/24/64/820162464.db2.gz IEWFYLUSECMSJL-DHZHZOJOSA-N 1 0 383.923 4.442 20 0 GIADRO Fc1ccc(Cn2cc(C[NH+]3CCC(c4nc5ccccc5[nH]4)CC3)cn2)cc1 ZINC000189610281 823457532 /nfs/dbraw/zinc/45/75/32/823457532.db2.gz CBEFJTHJGYJDPQ-UHFFFAOYSA-N 1 0 389.478 4.326 20 0 GIADRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(F)cc1)c1ccc(Oc2cccnc2)cc1 ZINC000573162611 823457578 /nfs/dbraw/zinc/45/75/78/823457578.db2.gz JRESVIVSDBKIOU-APWZRJJASA-N 1 0 382.435 4.104 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(F)cc1)c1ccc(Oc2cccnc2)cc1 ZINC000573162613 823457680 /nfs/dbraw/zinc/45/76/80/823457680.db2.gz JRESVIVSDBKIOU-QFBILLFUSA-N 1 0 382.435 4.104 20 0 GIADRO CC[C@@H]1CN(C(=O)c2ccc(C[NH+]3CCSCC3)cc2)c2ccccc2O1 ZINC000460622707 823458447 /nfs/dbraw/zinc/45/84/47/823458447.db2.gz SRKVDYDHCNUZLY-LJQANCHMSA-N 1 0 382.529 4.053 20 0 GIADRO COc1ccc(C2(C(=O)NC[C@@H](c3ccc(F)cc3)[NH+](C)C)CCCC2)cc1 ZINC000058819923 823458461 /nfs/dbraw/zinc/45/84/61/823458461.db2.gz MNCXEIGHRQBUFQ-NRFANRHFSA-N 1 0 384.495 4.065 20 0 GIADRO C[C@@H](NC(=O)NC1CC[NH+](C(C)(C)C)CC1)c1ccc(-c2cccnc2)cc1 ZINC000177420613 823458537 /nfs/dbraw/zinc/45/85/37/823458537.db2.gz YEVCVKRRRGMUPQ-QGZVFWFLSA-N 1 0 380.536 4.372 20 0 GIADRO COc1ccc(C(=O)Nc2cccc(C[N@@H+]3CCCCC[C@H]3C[C@@H](C)O)c2)cc1 ZINC000573167835 823458671 /nfs/dbraw/zinc/45/86/71/823458671.db2.gz ZPTVBOWDSBEHCY-GCJKJVERSA-N 1 0 396.531 4.463 20 0 GIADRO O=C([C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000058820688 823458713 /nfs/dbraw/zinc/45/87/13/823458713.db2.gz QMQXYQSJOFCVLX-RBBKRZOGSA-N 1 0 398.934 4.152 20 0 GIADRO CC[C@@H](C[NH2+][C@H](C)c1ccc(OC)c(NC(C)=O)c1)N1CCc2ccccc2C1 ZINC000123115877 823464800 /nfs/dbraw/zinc/46/48/00/823464800.db2.gz VJXRPDRBHJTDBX-VGSWGCGISA-N 1 0 395.547 4.141 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1ccc(C(=O)Nc2ccccc2)cc1)c1cccs1 ZINC000123086798 823459851 /nfs/dbraw/zinc/45/98/51/823459851.db2.gz XSVDYOZPUXBUBS-IBGZPJMESA-N 1 0 393.512 4.033 20 0 GIADRO C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)N1CC[NH+](C2CCCC2)CC1 ZINC000027120616 820195886 /nfs/dbraw/zinc/19/58/86/820195886.db2.gz GFNITFLKIFWASG-LJQANCHMSA-N 1 0 393.531 4.366 20 0 GIADRO COc1ccc(/C=C/C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)cc1OC ZINC000027143663 820201169 /nfs/dbraw/zinc/20/11/69/820201169.db2.gz VIGXOQGISLBCKI-ZRDIBKRKSA-N 1 0 380.488 4.342 20 0 GIADRO COc1ccc(SCCC(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000027150837 820201778 /nfs/dbraw/zinc/20/17/78/820201778.db2.gz CEKDNHPRAYIXBF-UHFFFAOYSA-N 1 0 398.572 4.480 20 0 GIADRO Cc1c(C(=O)NCc2ccccc2C[NH+]2CCCCC2)cnn1-c1ccccc1 ZINC000027150833 820201821 /nfs/dbraw/zinc/20/18/21/820201821.db2.gz DDZHBSDBJAVPKA-UHFFFAOYSA-N 1 0 388.515 4.097 20 0 GIADRO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H](C)Oc1ccc(C)cc1Br ZINC000058842787 823461294 /nfs/dbraw/zinc/46/12/94/823461294.db2.gz PDCWOCUWIMXEER-JKSUJKDBSA-N 1 0 399.373 4.152 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)N2CCC[C@H]2Cc2ccccc2)CC1 ZINC000410319501 823461992 /nfs/dbraw/zinc/46/19/92/823461992.db2.gz VFJXLGOBYQKBNR-DEOSSOPVSA-N 1 0 391.559 4.376 20 0 GIADRO Cc1cccc2oc(CC[NH2+]Cc3cnc4c(C)cc(Br)cn34)nc21 ZINC000410319925 823462023 /nfs/dbraw/zinc/46/20/23/823462023.db2.gz XVISINBGHGZPQE-UHFFFAOYSA-N 1 0 399.292 4.187 20 0 GIADRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)Nc1ccc(C(F)(F)F)cc1 ZINC000058848242 823462087 /nfs/dbraw/zinc/46/20/87/823462087.db2.gz WNGTUXACHTXUHK-UHFFFAOYSA-N 1 0 377.410 4.275 20 0 GIADRO C[C@@H](C(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccc(Br)s1 ZINC000177438547 823462220 /nfs/dbraw/zinc/46/22/20/823462220.db2.gz GMGBALYLNHUICW-GFCCVEGCSA-N 1 0 385.371 4.137 20 0 GIADRO O=C(CCSCc1ccccn1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000058854705 823462449 /nfs/dbraw/zinc/46/24/49/823462449.db2.gz FMXHKUJWYMMCOZ-UHFFFAOYSA-N 1 0 383.561 4.007 20 0 GIADRO C[N@H+](CCNC(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1)C1CC1 ZINC000058857607 823462738 /nfs/dbraw/zinc/46/27/38/823462738.db2.gz OYBABELEUHNMFB-UHFFFAOYSA-N 1 0 397.569 4.292 20 0 GIADRO CN(C(=O)C1CC1)c1ccccc1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000058855778 823462796 /nfs/dbraw/zinc/46/27/96/823462796.db2.gz YKKIZCRWSZTBFO-UHFFFAOYSA-N 1 0 391.515 4.298 20 0 GIADRO COc1cccc([C@H](CNC(=O)c2cccc(-n3cccc3)c2)[NH+]2CCCC2)c1 ZINC000027341530 820227911 /nfs/dbraw/zinc/22/79/11/820227911.db2.gz OIDLETUZDPWSSB-QHCPKHFHSA-N 1 0 389.499 4.053 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Nc1cc(C(=O)OC)ccc1C)c1ccsc1 ZINC000058858434 823463033 /nfs/dbraw/zinc/46/30/33/823463033.db2.gz ZYXFOOYJWONDPT-GOSISDBHSA-N 1 0 389.521 4.048 20 0 GIADRO Cc1cc(C(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)c2ccc(F)cc2n1 ZINC000027390601 820237781 /nfs/dbraw/zinc/23/77/81/820237781.db2.gz DNQCQOLUKFTBCX-UHFFFAOYSA-N 1 0 391.490 4.339 20 0 GIADRO CC(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000460638037 823463451 /nfs/dbraw/zinc/46/34/51/823463451.db2.gz UJQQSTSBQYUPMS-MSOLQXFVSA-N 1 0 392.551 4.145 20 0 GIADRO O=C(COc1ccccc1-c1ccccc1)NC1CC[NH+](C2CCCC2)CC1 ZINC000177445534 823463473 /nfs/dbraw/zinc/46/34/73/823463473.db2.gz JWUFZDXRXMEMGY-UHFFFAOYSA-N 1 0 378.516 4.256 20 0 GIADRO CCn1c2ccccc2c2cc(NC(=O)[C@H](C)N3CC[NH+](C(C)C)CC3)ccc21 ZINC000027420009 820242108 /nfs/dbraw/zinc/24/21/08/820242108.db2.gz CRGLWYXTCBBLKL-SFHVURJKSA-N 1 0 392.547 4.167 20 0 GIADRO CCOc1ccc(C[NH2+]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)cc1OCC ZINC000189637101 823463793 /nfs/dbraw/zinc/46/37/93/823463793.db2.gz ODVAVEZPEXZVDH-YJBOKZPZSA-N 1 0 375.431 4.057 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccc2C(F)(F)F)CC1)c1ccc(F)cc1 ZINC000027438001 820244447 /nfs/dbraw/zinc/24/44/47/820244447.db2.gz OBGFMLBGWOQLBU-UHFFFAOYSA-N 1 0 380.385 4.239 20 0 GIADRO CCc1ccc(-c2nc(CC(=O)NC3CC[NH+](C4CCCC4)CC3)cs2)cc1 ZINC000177446181 823463866 /nfs/dbraw/zinc/46/38/66/823463866.db2.gz MGEQFPUKLPJPBJ-UHFFFAOYSA-N 1 0 397.588 4.438 20 0 GIADRO CCCOc1ccc(C[NH2+]C[C@]2(O)CCC[C@@H](C(F)(F)F)C2)cc1OC ZINC000189636703 823463942 /nfs/dbraw/zinc/46/39/42/823463942.db2.gz DNBWTVKSGKJUKG-QAPCUYQASA-N 1 0 375.431 4.057 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)CCSc2ccnc3cc(Cl)ccc32)CC[N@@H+]1C ZINC000177447714 823464152 /nfs/dbraw/zinc/46/41/52/823464152.db2.gz PBBOMRYMGBGEOO-GOEBONIOSA-N 1 0 391.968 4.312 20 0 GIADRO CCc1cc[n+](C(C(=O)c2ccc(C)cc2)C(=S)NCCCSC)cc1 ZINC000027481268 820250152 /nfs/dbraw/zinc/25/01/52/820250152.db2.gz RPGRGKMFFHADFD-UHFFFAOYSA-O 1 0 387.594 4.126 20 0 GIADRO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CCC[C@H](c4nc5ccccc5s4)C3)c2c1 ZINC000027506835 820254745 /nfs/dbraw/zinc/25/47/45/820254745.db2.gz BFLSMOKOFAGNDP-HNNXBMFYSA-N 1 0 393.472 4.391 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)CCSc2ccnc3cc(Cl)ccc32)CC[N@@H+]1C ZINC000177447747 823464546 /nfs/dbraw/zinc/46/45/46/823464546.db2.gz PBBOMRYMGBGEOO-HOCLYGCPSA-N 1 0 391.968 4.312 20 0 GIADRO Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)c(C)c1 ZINC000027570797 820260296 /nfs/dbraw/zinc/26/02/96/820260296.db2.gz NLKJLCXGLPVBSI-VQTJNVASSA-N 1 0 393.531 4.290 20 0 GIADRO CC(C)c1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000027573438 820261062 /nfs/dbraw/zinc/26/10/62/820261062.db2.gz LWBNIGMJPIQWFM-RTBURBONSA-N 1 0 393.531 4.488 20 0 GIADRO CC1CC[NH+]([C@@H](CNC(=O)CCc2ccc(N(C)C)cc2)c2cccs2)CC1 ZINC000027574456 820261797 /nfs/dbraw/zinc/26/17/97/820261797.db2.gz NZMKJTLNZPVOGP-NRFANRHFSA-N 1 0 399.604 4.336 20 0 GIADRO O=C(CN1CC[NH+](CCc2ccccc2)CC1)Nc1ccc(-c2ccccc2)cc1 ZINC000027575393 820261990 /nfs/dbraw/zinc/26/19/90/820261990.db2.gz SODIGVUAMNNYKT-UHFFFAOYSA-N 1 0 399.538 4.152 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000027585180 820264096 /nfs/dbraw/zinc/26/40/96/820264096.db2.gz CYMZUZJIPOGFLV-IBGZPJMESA-N 1 0 397.519 4.160 20 0 GIADRO COc1ccc([C@H](CNC(=O)c2ccc3ncsc3c2)[NH+]2CCCCC2)cc1 ZINC000027667597 820272803 /nfs/dbraw/zinc/27/28/03/820272803.db2.gz XGZICCBHDPOAFQ-FQEVSTJZSA-N 1 0 395.528 4.262 20 0 GIADRO CC1CC[NH+](Cc2ccc(CNC(=O)Nc3ccc4c(c3)OCCO4)cc2)CC1 ZINC000410336482 823466524 /nfs/dbraw/zinc/46/65/24/823466524.db2.gz GREHHSZPJMBROV-UHFFFAOYSA-N 1 0 395.503 4.011 20 0 GIADRO COCc1cccc(CNC(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)c1 ZINC000410339145 823467054 /nfs/dbraw/zinc/46/70/54/823467054.db2.gz WUDZUMDVESOSPA-IBGZPJMESA-N 1 0 395.547 4.207 20 0 GIADRO CC(C)c1c(C(=O)N[C@@H](C)C[NH+]2CCCCC2)cnn1-c1ccc(Cl)cc1 ZINC000027766094 820284271 /nfs/dbraw/zinc/28/42/71/820284271.db2.gz OPKOJPFSGZSPNZ-INIZCTEOSA-N 1 0 388.943 4.253 20 0 GIADRO CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000177475498 823471274 /nfs/dbraw/zinc/47/12/74/823471274.db2.gz DRMBXPAFYJIVDZ-OAQYLSRUSA-N 1 0 399.510 4.072 20 0 GIADRO COc1ccc(CN(C(=O)C[N@H+](C)[C@@H]2CCCc3ccccc32)C2CC2)cc1 ZINC000027906199 820295513 /nfs/dbraw/zinc/29/55/13/820295513.db2.gz PCVVDAYOPNJLSU-HSZRJFAPSA-N 1 0 378.516 4.196 20 0 GIADRO CC1CC[NH+](CCCCNC(=O)CCOc2ccc(Cl)cc2Cl)CC1 ZINC000058899217 823467948 /nfs/dbraw/zinc/46/79/48/823467948.db2.gz MCUPESKPOWQGKE-UHFFFAOYSA-N 1 0 387.351 4.391 20 0 GIADRO CC(=O)c1cccc(NC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)c1 ZINC000027918505 820296634 /nfs/dbraw/zinc/29/66/34/820296634.db2.gz KIKVSJDSOOGBSI-UHFFFAOYSA-N 1 0 381.476 4.398 20 0 GIADRO CC(C)OCc1ccc(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000027928450 820297759 /nfs/dbraw/zinc/29/77/59/820297759.db2.gz WIDKBBMJNGQVRN-UHFFFAOYSA-N 1 0 380.532 4.049 20 0 GIADRO Cc1ccc(C(=O)CCC(=O)NC2CC[NH+](CCc3ccccc3)CC2)cc1C ZINC000027929756 820298086 /nfs/dbraw/zinc/29/80/86/820298086.db2.gz FFTHNEYIWIRGAG-UHFFFAOYSA-N 1 0 392.543 4.090 20 0 GIADRO C[C@@H]1CCc2sc(C(=O)NC3CC[NH+](CCc4ccccc4)CC3)cc2C1 ZINC000027930070 820298342 /nfs/dbraw/zinc/29/83/42/820298342.db2.gz CAOAXXFKHLCWKC-QGZVFWFLSA-N 1 0 382.573 4.310 20 0 GIADRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)c1cc(Cl)nc2ccccc21 ZINC000027934019 820298703 /nfs/dbraw/zinc/29/87/03/820298703.db2.gz HXDAOZVKGIACGF-UHFFFAOYSA-N 1 0 393.918 4.325 20 0 GIADRO CSc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1 ZINC000027952430 820300054 /nfs/dbraw/zinc/30/00/54/820300054.db2.gz JOUHCVJNYOZLLE-IAGOWNOFSA-N 1 0 397.544 4.086 20 0 GIADRO Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000027952132 820300214 /nfs/dbraw/zinc/30/02/14/820300214.db2.gz UWAQBKXDVVYSEL-IAGOWNOFSA-N 1 0 399.922 4.326 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCn3cccc3[C@H]2C)cc1 ZINC000410343698 823468467 /nfs/dbraw/zinc/46/84/67/823468467.db2.gz HFZZUWHYPIEYSB-RTBURBONSA-N 1 0 380.536 4.149 20 0 GIADRO CC1CC[NH+](CCCNC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)CC1 ZINC000028070397 820309065 /nfs/dbraw/zinc/30/90/65/820309065.db2.gz AJEAFUADDUJEKX-UHFFFAOYSA-N 1 0 389.927 4.166 20 0 GIADRO C[C@@H]([NH3+])c1ccc(CNC(=O)C2(Cc3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000573235400 823468851 /nfs/dbraw/zinc/46/88/51/823468851.db2.gz BVLFZTJEOOCJRN-CQSZACIVSA-N 1 0 392.421 4.244 20 0 GIADRO CC(=O)Nc1ccc(Cl)cc1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000058905768 823468973 /nfs/dbraw/zinc/46/89/73/823468973.db2.gz HZLKSPDTRVOZNP-UHFFFAOYSA-N 1 0 385.895 4.149 20 0 GIADRO Cc1ccccc1C(=O)NC1CC[NH+](CCCCCOc2ccccc2)CC1 ZINC000189660832 823469680 /nfs/dbraw/zinc/46/96/80/823469680.db2.gz GDRZYHYXMAPKLW-UHFFFAOYSA-N 1 0 380.532 4.439 20 0 GIADRO O=C(CCc1ccc(OC(F)F)cc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000028272762 820321687 /nfs/dbraw/zinc/32/16/87/820321687.db2.gz ZXTABEITWWNJIA-UHFFFAOYSA-N 1 0 388.458 4.001 20 0 GIADRO CCOc1ccccc1C[N@H+](C)CCC(=O)Nc1cccc(Br)c1 ZINC000573246330 823469844 /nfs/dbraw/zinc/46/98/44/823469844.db2.gz FWAACRAOVQSNHC-UHFFFAOYSA-N 1 0 391.309 4.308 20 0 GIADRO CC1CC[NH+](Cc2ccccc2CNC(=O)N2CCc3sccc3C2)CC1 ZINC000410348493 823470110 /nfs/dbraw/zinc/47/01/10/823470110.db2.gz XWPQYHGFPUXNDJ-UHFFFAOYSA-N 1 0 383.561 4.248 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)Nc1ccc(N(C)C)cc1C)[NH+]1CCCC1 ZINC000058930588 823471640 /nfs/dbraw/zinc/47/16/40/823471640.db2.gz YYROWRXJMLXTSC-OAQYLSRUSA-N 1 0 396.535 4.028 20 0 GIADRO CC[C@@H](CNC(=O)N(CC)Cc1cccc(F)c1)[N@@H+]1CCc2ccccc2C1 ZINC000028391788 820332301 /nfs/dbraw/zinc/33/23/01/820332301.db2.gz FQRUEMUJEKRNAT-QFIPXVFZSA-N 1 0 383.511 4.194 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)N(Cc2ccco2)Cc2cccs2)c1 ZINC000028398892 820332973 /nfs/dbraw/zinc/33/29/73/820332973.db2.gz DZPJICBRBYBLQL-UHFFFAOYSA-N 1 0 383.517 4.315 20 0 GIADRO CC(=O)c1cccc(NC(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)c1 ZINC000410354907 823471803 /nfs/dbraw/zinc/47/18/03/823471803.db2.gz RLCNTOXQPKMYRX-KRWDZBQOSA-N 1 0 379.504 4.443 20 0 GIADRO C[C@H](CCCC(F)(F)F)NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460681939 823477107 /nfs/dbraw/zinc/47/71/07/823477107.db2.gz TWBLZUZJGKDGAX-NZSAHSFTSA-N 1 0 397.485 4.271 20 0 GIADRO Cc1cccc2oc(CC[NH2+]Cc3csc(-c4ccc5c(c4)OCO5)n3)nc21 ZINC000410356031 823472112 /nfs/dbraw/zinc/47/21/12/823472112.db2.gz VXOYRENWZGMHOC-UHFFFAOYSA-N 1 0 393.468 4.321 20 0 GIADRO OCC1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)CC1 ZINC000058934546 823472223 /nfs/dbraw/zinc/47/22/23/823472223.db2.gz BWPIYBBFUUZAJR-UHFFFAOYSA-N 1 0 381.907 4.397 20 0 GIADRO Cc1cc(C)cc(NC(=O)NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c1 ZINC000410356559 823472428 /nfs/dbraw/zinc/47/24/28/823472428.db2.gz XMYUHJQMYOYWQR-RTBURBONSA-N 1 0 381.520 4.234 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1cnn([C@@H](C)C2CC2)c1)c1cccc(OC)c1 ZINC000189674057 823472856 /nfs/dbraw/zinc/47/28/56/823472856.db2.gz FLGRZXHREVOJMG-KKSFZXQISA-N 1 0 399.539 4.067 20 0 GIADRO CCc1nnc(-c2ccc(NC(=O)NCc3cccc(C[N@@H+](C)CC)c3)cc2)o1 ZINC000177484104 823473010 /nfs/dbraw/zinc/47/30/10/823473010.db2.gz GHUCUNUIWAOFBG-UHFFFAOYSA-N 1 0 393.491 4.072 20 0 GIADRO CCCCN(CCCC)C(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000410369079 823477229 /nfs/dbraw/zinc/47/72/29/823477229.db2.gz OCSHXZHMJKNLMX-WOJBJXKFSA-N 1 0 389.584 4.408 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc(Br)cc1)C(=O)Nc1ccc(Cl)cn1 ZINC000028878184 820366056 /nfs/dbraw/zinc/36/60/56/820366056.db2.gz XKOGJBYXJFXKJA-GHMZBOCLSA-N 1 0 382.689 4.175 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1)C(=O)Nc1ccc(Cl)cn1 ZINC000028878173 820366078 /nfs/dbraw/zinc/36/60/78/820366078.db2.gz XKOGJBYXJFXKJA-WDEREUQCSA-N 1 0 382.689 4.175 20 0 GIADRO CC(C)c1ccc(C[NH+]2CCN(CCC(=O)Nc3ccccc3F)CC2)cc1 ZINC000028881906 820366382 /nfs/dbraw/zinc/36/63/82/820366382.db2.gz DGTKHHCOUXWJCD-UHFFFAOYSA-N 1 0 383.511 4.096 20 0 GIADRO COc1cccc(C[NH2+]C[C@@H](O)CO[C@H](c2ccccc2)c2ccc(C)cc2)c1 ZINC000573271127 823473780 /nfs/dbraw/zinc/47/37/80/823473780.db2.gz YSYDZPOSIYJCFU-ILBGXUMGSA-N 1 0 391.511 4.260 20 0 GIADRO O=C(CC[NH+]1CCN(Cc2cccs2)CC1)Nc1cccc2ccccc21 ZINC000028886559 820366868 /nfs/dbraw/zinc/36/68/68/820366868.db2.gz LJSWJBAIELOJLQ-UHFFFAOYSA-N 1 0 379.529 4.048 20 0 GIADRO CC(=O)c1ccc(NC(=O)CC[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000028894701 820368485 /nfs/dbraw/zinc/36/84/85/820368485.db2.gz VGNBEPZLZSZFMK-UHFFFAOYSA-N 1 0 378.394 4.369 20 0 GIADRO O=C(CC[NH+]1CCC(c2nc3ccccc3s2)CC1)N1CCc2ccccc21 ZINC000028896186 820368554 /nfs/dbraw/zinc/36/85/54/820368554.db2.gz DJKKJIXAVJCHHY-UHFFFAOYSA-N 1 0 391.540 4.455 20 0 GIADRO Cc1cncc(C[NH2+]Cc2cc(Br)ccc2OCc2ccccn2)c1 ZINC000123174580 823473972 /nfs/dbraw/zinc/47/39/72/823473972.db2.gz MMCLXYUARXFDRX-UHFFFAOYSA-N 1 0 398.304 4.416 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccc(OC2CCC2)cc1Cl ZINC000123195231 823477330 /nfs/dbraw/zinc/47/73/30/823477330.db2.gz NKBSUXPQBKHFSS-IBGZPJMESA-N 1 0 388.895 4.431 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)c1 ZINC000028918110 820372694 /nfs/dbraw/zinc/37/26/94/820372694.db2.gz VARHAKYGTBLIAH-MLGOLLRUSA-N 1 0 397.302 4.042 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)CCc3nc4ccccc4[nH]3)cc2)C1 ZINC000058948653 823474291 /nfs/dbraw/zinc/47/42/91/823474291.db2.gz SKBWBJROBHJGGR-SFHVURJKSA-N 1 0 390.531 4.044 20 0 GIADRO COc1cc(CC(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)ccc1C ZINC000058949149 823474297 /nfs/dbraw/zinc/47/42/97/823474297.db2.gz QMPDFYYZIPLUDT-SFHVURJKSA-N 1 0 380.532 4.094 20 0 GIADRO CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)NC1CC[NH+](CCOC(C)C)CC1 ZINC000177488998 823474303 /nfs/dbraw/zinc/47/43/03/823474303.db2.gz CVDRZYNDWOOHSV-RTBURBONSA-N 1 0 389.584 4.006 20 0 GIADRO C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+][C@@H](C)c1ccc(NC(N)=O)cc1 ZINC000177488895 823474336 /nfs/dbraw/zinc/47/43/36/823474336.db2.gz SDDSLJVOWAXAAG-VKJFTORMSA-N 1 0 390.528 4.006 20 0 GIADRO CC1CC[NH+](Cc2ccccc2CNC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)CC1 ZINC000058951119 823474661 /nfs/dbraw/zinc/47/46/61/823474661.db2.gz SFNIRYMWIVSXCK-QFIPXVFZSA-N 1 0 398.934 4.192 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)COc1ccc(F)cc1F ZINC000058952680 823475015 /nfs/dbraw/zinc/47/50/15/823475015.db2.gz VPRYZFYAUNMNMI-MRXNPFEDSA-N 1 0 388.458 4.034 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)COc1ccc(F)cc1F ZINC000058952681 823475019 /nfs/dbraw/zinc/47/50/19/823475019.db2.gz VPRYZFYAUNMNMI-INIZCTEOSA-N 1 0 388.458 4.034 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N[C@H]3CCCc4occc43)cc2)C1 ZINC000410363491 823475201 /nfs/dbraw/zinc/47/52/01/823475201.db2.gz JDLUKBQRPQPFGC-UWJYYQICSA-N 1 0 381.520 4.388 20 0 GIADRO Fc1ccc(CN2CCC[N@H+](Cc3cnc(-c4ccccn4)s3)CC2)cc1 ZINC000123182907 823475316 /nfs/dbraw/zinc/47/53/16/823475316.db2.gz ZJQGUYGACUISEL-UHFFFAOYSA-N 1 0 382.508 4.052 20 0 GIADRO C[C@H](Oc1cccc(F)c1)C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000029080954 820390276 /nfs/dbraw/zinc/39/02/76/820390276.db2.gz ADHBYZMXQKXYSD-SFHVURJKSA-N 1 0 384.495 4.141 20 0 GIADRO O=C(CCCc1nc2ccccc2[nH]1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000029098223 820392240 /nfs/dbraw/zinc/39/22/40/820392240.db2.gz SZGNHMMEDZYTCK-UHFFFAOYSA-N 1 0 390.531 4.188 20 0 GIADRO Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+][C@H](C)Cn1ncc2ccccc2c1=O ZINC000573283224 823475523 /nfs/dbraw/zinc/47/55/23/823475523.db2.gz DJZIBQSZFHZXLP-ZHRRBRCNSA-N 1 0 386.499 4.242 20 0 GIADRO COc1cc(NC(=O)C[NH2+][C@@H](c2ccccc2)C(C)C)c(OC)cc1Cl ZINC000029117238 820395729 /nfs/dbraw/zinc/39/57/29/820395729.db2.gz AFTIIEYXVLUMLK-HXUWFJFHSA-N 1 0 376.884 4.283 20 0 GIADRO C[C@@H](CCc1ccco1)NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000410365782 823476311 /nfs/dbraw/zinc/47/63/11/823476311.db2.gz MDIKTKWINVZWRB-OALUTQOASA-N 1 0 383.536 4.332 20 0 GIADRO CCOc1ccc(C(=O)CCC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000029177659 820406151 /nfs/dbraw/zinc/40/61/51/820406151.db2.gz KMPDWDSTDXNTOV-QFIPXVFZSA-N 1 0 394.515 4.002 20 0 GIADRO O=C(Cc1ccc(Cl)c(Cl)c1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000029177409 820406251 /nfs/dbraw/zinc/40/62/51/820406251.db2.gz INDKBYGXQKWKKE-IBGZPJMESA-N 1 0 377.315 4.489 20 0 GIADRO O=C(CCc1nc2ccccc2s1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000029177553 820406407 /nfs/dbraw/zinc/40/64/07/820406407.db2.gz MSOVORMPNGMIFB-LJQANCHMSA-N 1 0 379.529 4.182 20 0 GIADRO O=C(CCc1ncc(-c2ccccc2)o1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000029179206 820406934 /nfs/dbraw/zinc/40/69/34/820406934.db2.gz BTYKSJLMUMOCCL-OAQYLSRUSA-N 1 0 389.499 4.228 20 0 GIADRO CC(C)=CCOc1cccc(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)c1 ZINC000460679059 823476514 /nfs/dbraw/zinc/47/65/14/823476514.db2.gz NTXJDHSSASUYAV-UHFFFAOYSA-N 1 0 378.516 4.380 20 0 GIADRO COc1ccc(OC)c([C@@H](C)NC(=O)C[NH2+][C@@H](c2ccc(F)cc2)C(C)C)c1 ZINC000029198724 820409895 /nfs/dbraw/zinc/40/98/95/820409895.db2.gz STCGTMOYWAMJQU-IVZQSRNASA-N 1 0 388.483 4.007 20 0 GIADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)CCC(=O)c2ccc3c(c2)CCCC3)C1 ZINC000058966050 823476745 /nfs/dbraw/zinc/47/67/45/823476745.db2.gz UDEFKNWCVASWCC-LJQANCHMSA-N 1 0 384.564 4.157 20 0 GIADRO CCN(C(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)C1CCCCC1 ZINC000410354449 823471754 /nfs/dbraw/zinc/47/17/54/823471754.db2.gz QBSSHRSPUYOMMZ-RTBURBONSA-N 1 0 387.568 4.160 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCC[C@@H]1Cc1ccccc1 ZINC000410369846 823477802 /nfs/dbraw/zinc/47/78/02/823477802.db2.gz GCKJVRQSNRKKMS-HSZRJFAPSA-N 1 0 379.548 4.444 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1c(F)c(F)cc(F)c1F)c1cccc(OC)c1 ZINC000177502171 823477899 /nfs/dbraw/zinc/47/78/99/823477899.db2.gz CLAIYCNJYBBKLQ-MRXNPFEDSA-N 1 0 398.400 4.065 20 0 GIADRO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(CC(F)(F)F)cc2)[C@@H]1c1ccccc1 ZINC000189697526 823477919 /nfs/dbraw/zinc/47/79/19/823477919.db2.gz FPNDRLAVCWFZKB-ROUUACIJSA-N 1 0 377.410 4.358 20 0 GIADRO C[C@@H](c1nc(-c2ccccc2)no1)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000177502477 823477988 /nfs/dbraw/zinc/47/79/88/823477988.db2.gz BKHSTQFXPXXKIV-QRVBRYPASA-N 1 0 398.551 4.009 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N(C)Cc3ccccc3F)cc2)C1 ZINC000410370098 823478059 /nfs/dbraw/zinc/47/80/59/823478059.db2.gz ANGMPFPWIBMTAD-GOSISDBHSA-N 1 0 383.511 4.399 20 0 GIADRO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(CC(F)(F)F)cc2)[C@@H]1c1ccccc1 ZINC000189697548 823478090 /nfs/dbraw/zinc/47/80/90/823478090.db2.gz FPNDRLAVCWFZKB-MSOLQXFVSA-N 1 0 377.410 4.358 20 0 GIADRO CC[NH+](CC)CCOc1ccc(NC(=O)c2cc3ccc(OC)cc3[nH]2)cc1 ZINC000059017758 823483578 /nfs/dbraw/zinc/48/35/78/823483578.db2.gz NKXPBRRLKDSSOA-UHFFFAOYSA-N 1 0 381.476 4.149 20 0 GIADRO O=C(NCc1cccc(C(F)(F)F)c1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000029316729 820435976 /nfs/dbraw/zinc/43/59/76/820435976.db2.gz FZDCHABFOJWEJX-LJQANCHMSA-N 1 0 391.437 4.342 20 0 GIADRO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000177505994 823479056 /nfs/dbraw/zinc/47/90/56/823479056.db2.gz IXPVFJSEIGTLMP-LBPRGKRZSA-N 1 0 375.822 4.308 20 0 GIADRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)Nc3ccc(Cl)cc3)cc2)C[C@@H](C)O1 ZINC000410373743 823479338 /nfs/dbraw/zinc/47/93/38/823479338.db2.gz XQLOENGQSVIWCY-HZPDHXFCSA-N 1 0 387.911 4.271 20 0 GIADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)c1ccc(SC(F)F)cc1 ZINC000029369531 820444977 /nfs/dbraw/zinc/44/49/77/820444977.db2.gz CRDSTLLGCXPTSB-UHFFFAOYSA-N 1 0 386.533 4.093 20 0 GIADRO CCOc1ccccc1CCC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000029375546 820445934 /nfs/dbraw/zinc/44/59/34/820445934.db2.gz HSJKQMGGZXCCPW-UHFFFAOYSA-N 1 0 395.547 4.107 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000177509376 823479737 /nfs/dbraw/zinc/47/97/37/823479737.db2.gz KJMCEGRSHBKVKD-LBPRGKRZSA-N 1 0 375.847 4.137 20 0 GIADRO O=C(COC(c1ccccc1)c1ccccc1)NCCC[NH+]1CCCCCC1 ZINC000058989417 823479948 /nfs/dbraw/zinc/47/99/48/823479948.db2.gz VVFKWZMMDDWYAW-UHFFFAOYSA-N 1 0 380.532 4.175 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1occc1Br ZINC000177515925 823480240 /nfs/dbraw/zinc/48/02/40/823480240.db2.gz KQAWGACBXWNYOL-INIZCTEOSA-N 1 0 391.309 4.026 20 0 GIADRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)CCCc1nc2ccccc2s1 ZINC000058991655 823480349 /nfs/dbraw/zinc/48/03/49/823480349.db2.gz GRIYTYZHDDFTEK-UHFFFAOYSA-N 1 0 399.535 4.349 20 0 GIADRO COc1cccc(C[N@H+](CCCCC2CCOCC2)C2CCC(O)CC2)c1 ZINC000410377519 823480620 /nfs/dbraw/zinc/48/06/20/823480620.db2.gz CMYBVHFZLDXBRH-UHFFFAOYSA-N 1 0 375.553 4.398 20 0 GIADRO C[N@H+](CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)[C@H]1CCc2ccccc21 ZINC000029490185 820463381 /nfs/dbraw/zinc/46/33/81/820463381.db2.gz HCHXAACNNDOIQO-DEOSSOPVSA-N 1 0 385.511 4.403 20 0 GIADRO COc1ccc([C@H](CNC(=O)c2cc3cc(C)ccc3[nH]2)[NH+]2CCCC2)cc1 ZINC000029504848 820464817 /nfs/dbraw/zinc/46/48/17/820464817.db2.gz CGMQPNFBXIJECJ-QFIPXVFZSA-N 1 0 377.488 4.052 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1csc(-c2cccs2)n1 ZINC000059001046 823481299 /nfs/dbraw/zinc/48/12/99/823481299.db2.gz QMESOCGHTVKHKX-UHFFFAOYSA-N 1 0 389.521 4.215 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)CCc1ncc(-c2ccccc2)o1 ZINC000059001551 823481389 /nfs/dbraw/zinc/48/13/89/823481389.db2.gz XIPSNEAODFWFRX-UHFFFAOYSA-N 1 0 395.478 4.004 20 0 GIADRO C[NH+](C)Cc1ccccc1CNC(=O)c1ccccc1SCc1cscn1 ZINC000029546430 820473379 /nfs/dbraw/zinc/47/33/79/820473379.db2.gz XYCHGILVKRUYMP-UHFFFAOYSA-N 1 0 397.569 4.427 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)CCOc2ccc(Cl)cc2Cl)CC1 ZINC000059004058 823482091 /nfs/dbraw/zinc/48/20/91/823482091.db2.gz ZIMXRVJYBKGORO-UHFFFAOYSA-N 1 0 387.351 4.341 20 0 GIADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)N[C@H](c2ccsc2)c2ccc(Cl)cc2)C1 ZINC000573345426 823482197 /nfs/dbraw/zinc/48/21/97/823482197.db2.gz WOCSQSYPMXGIGB-XWIAVFTESA-N 1 0 377.941 4.308 20 0 GIADRO CC(C)Sc1ccc(C(=O)N(C)C2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000059009061 823482553 /nfs/dbraw/zinc/48/25/53/823482553.db2.gz FPUUHDYICCALHI-UHFFFAOYSA-N 1 0 383.561 4.319 20 0 GIADRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)N1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000573346346 823482600 /nfs/dbraw/zinc/48/26/00/823482600.db2.gz OTSCVSVNRMGCDE-JOUKPKRSSA-N 1 0 393.453 4.020 20 0 GIADRO Cc1ccc(Oc2ccc(NC(=O)N3CC[C@H](C[NH+]4CCCC4)C3)cn2)cc1C ZINC000177527103 823482669 /nfs/dbraw/zinc/48/26/69/823482669.db2.gz OGGXKJRISRFBKT-LJQANCHMSA-N 1 0 394.519 4.440 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(COCc3ccco3)c2)C1 ZINC000177530567 823483520 /nfs/dbraw/zinc/48/35/20/823483520.db2.gz LKENDNCNIQOCCY-LJQANCHMSA-N 1 0 385.508 4.192 20 0 GIADRO COc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CCSc4ccccc43)CC2)cc1 ZINC000460693888 823482876 /nfs/dbraw/zinc/48/28/76/823482876.db2.gz WHRGTJNABDYZDX-NRFANRHFSA-N 1 0 396.556 4.009 20 0 GIADRO COc1ccc(CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)cc1 ZINC000029655175 820494327 /nfs/dbraw/zinc/49/43/27/820494327.db2.gz MMURSSTZXFVEGV-IBGZPJMESA-N 1 0 387.549 4.029 20 0 GIADRO C[C@@H](c1cn(C)c2ccccc12)c1nc(-c2ccc(OCC[NH+](C)C)cc2)no1 ZINC000573352063 823482907 /nfs/dbraw/zinc/48/29/07/823482907.db2.gz ANZAKRXRPCFGOU-INIZCTEOSA-N 1 0 390.487 4.321 20 0 GIADRO C[C@@H]1C[C@H](N(C)CC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)CC[N@@H+]1C ZINC000123243369 823484270 /nfs/dbraw/zinc/48/42/70/823484270.db2.gz VKBXONIMDZUZIN-STZQEDGTSA-N 1 0 385.596 4.062 20 0 GIADRO Cc1ccc(-c2cc(C[NH+]3CCC(C(=O)Nc4ccccc4O)CC3)on2)cc1 ZINC000029708904 820503231 /nfs/dbraw/zinc/50/32/31/820503231.db2.gz YLXKSVIBQGLKSI-UHFFFAOYSA-N 1 0 391.471 4.206 20 0 GIADRO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1Cc1nnc(-c2ccc(Br)o2)o1 ZINC000177532964 823484432 /nfs/dbraw/zinc/48/44/32/823484432.db2.gz RZUDYHRCQIOSMI-OCCSQVGLSA-N 1 0 388.265 4.470 20 0 GIADRO CC[C@@H](c1ccncc1)N(C)C(=O)N[C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000123246118 823484705 /nfs/dbraw/zinc/48/47/05/823484705.db2.gz YKLZHYQSOZORMD-IERDGZPVSA-N 1 0 377.492 4.429 20 0 GIADRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)CCC(=O)c2ccccc2)C1 ZINC000059060825 823485254 /nfs/dbraw/zinc/48/52/54/823485254.db2.gz BKINTWOQFHVVAW-PMACEKPBSA-N 1 0 392.543 4.444 20 0 GIADRO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1c[nH]nc1-c1ccccc1 ZINC000029830436 820528061 /nfs/dbraw/zinc/52/80/61/820528061.db2.gz WTRKFUMPHYWHJQ-HXUWFJFHSA-N 1 0 394.906 4.297 20 0 GIADRO Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029830658 820528151 /nfs/dbraw/zinc/52/81/51/820528151.db2.gz MTTCCNVRRBLIBO-UYAOXDASSA-N 1 0 391.515 4.363 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1cc(Br)ccc1Cl)c1cccc(F)c1 ZINC000029836871 820528886 /nfs/dbraw/zinc/52/88/86/820528886.db2.gz JUGSHJGSZVHASV-INIZCTEOSA-N 1 0 399.691 4.274 20 0 GIADRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1ccccc1C(=O)c1ccccc1 ZINC000029841632 820529967 /nfs/dbraw/zinc/52/99/67/820529967.db2.gz FQMWZKHJJWXPRL-UHFFFAOYSA-N 1 0 398.506 4.096 20 0 GIADRO CC(C)NC(=O)c1ccccc1NC(=O)C[N@H+](Cc1ccccc1)[C@H](C)C1CC1 ZINC000029844851 820531451 /nfs/dbraw/zinc/53/14/51/820531451.db2.gz HUYYTEKGMXDOAD-GOSISDBHSA-N 1 0 393.531 4.064 20 0 GIADRO O=C(Nc1cccc(CSc2ccccn2)c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000177544555 823487233 /nfs/dbraw/zinc/48/72/33/823487233.db2.gz NRFUYTSAFOBVEO-IBGZPJMESA-N 1 0 396.560 4.324 20 0 GIADRO COc1ccc(SCCC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000029898323 820543017 /nfs/dbraw/zinc/54/30/17/820543017.db2.gz FZGPJFCDHAHXDE-LJQANCHMSA-N 1 0 388.533 4.114 20 0 GIADRO COc1ccccc1NC(=O)C1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000029908542 820546146 /nfs/dbraw/zinc/54/61/46/820546146.db2.gz VIRIAVOUHNEWFI-UHFFFAOYSA-N 1 0 375.472 4.094 20 0 GIADRO COc1ccccc1NC(=O)C1CC[NH+](CCCOc2ccc(C)c(C)c2)CC1 ZINC000029911602 820546822 /nfs/dbraw/zinc/54/68/22/820546822.db2.gz DZKZDEIQJNTGSU-UHFFFAOYSA-N 1 0 396.531 4.432 20 0 GIADRO COc1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2OC(F)F)CC1 ZINC000029911556 820546868 /nfs/dbraw/zinc/54/68/68/820546868.db2.gz ZWGAPVZRDLQMRV-UHFFFAOYSA-N 1 0 390.430 4.147 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@H](O)c1cccc(OC(C)C)c1)CC3 ZINC000123269271 823488410 /nfs/dbraw/zinc/48/84/10/823488410.db2.gz BEDDIBDODRGELB-OSPHWJPCSA-N 1 0 394.515 4.144 20 0 GIADRO COc1cc(Cl)c(NC(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc1C ZINC000573402523 823488497 /nfs/dbraw/zinc/48/84/97/823488497.db2.gz HUGCJWTXLHAASP-LIRRHRJNSA-N 1 0 375.900 4.470 20 0 GIADRO CC(=O)Nc1cc(C(=O)Nc2ccc(C)cc2C[NH+](C)C)cc(C(F)(F)F)c1 ZINC000123272258 823488820 /nfs/dbraw/zinc/48/88/20/823488820.db2.gz OJWIUUKLKWSRGZ-UHFFFAOYSA-N 1 0 393.409 4.286 20 0 GIADRO C[C@@H]1C[NH+](Cc2ccc(CNc3ccc(C(F)(F)F)cn3)cc2)C[C@@H](C)O1 ZINC000030001676 820565892 /nfs/dbraw/zinc/56/58/92/820565892.db2.gz XCTUAMGRHUGCGA-HUUCEWRRSA-N 1 0 379.426 4.322 20 0 GIADRO O=S(=O)(N[C@H](C[NH+]1CCCC1)c1ccccc1)c1cccc(Cl)c1Cl ZINC000030004433 820566528 /nfs/dbraw/zinc/56/65/28/820566528.db2.gz UADDOQWOJFBOAT-MRXNPFEDSA-N 1 0 399.343 4.109 20 0 GIADRO COc1ccccc1COC[C@H](O)C[N@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000059375248 823494205 /nfs/dbraw/zinc/49/42/05/823494205.db2.gz MOBJZDSAAMPJPT-GOSISDBHSA-N 1 0 384.303 4.012 20 0 GIADRO COc1cc(C)cc(C)c1S(=O)(=O)Nc1cc(C[NH+]2CCCC2)ccc1C ZINC000573410210 823490072 /nfs/dbraw/zinc/49/00/72/823490072.db2.gz RGVKTXGYIMUTOM-UHFFFAOYSA-N 1 0 388.533 4.017 20 0 GIADRO CCSCc1ccnc(NCc2ccccc2N(C)C2CC[NH+](C)CC2)c1 ZINC000123281169 823490163 /nfs/dbraw/zinc/49/01/63/823490163.db2.gz QXLSQTPWFSLBAY-UHFFFAOYSA-N 1 0 384.593 4.477 20 0 GIADRO O=C(CCc1ccc(-c2ccccc2F)o1)NCC[N@@H+]1CCc2ccccc2C1 ZINC000030318184 820600049 /nfs/dbraw/zinc/60/00/49/820600049.db2.gz OPXQSOSDPASACV-UHFFFAOYSA-N 1 0 392.474 4.193 20 0 GIADRO Cc1ccccc1[C@@H]1CCC[N@H+]1CC(=O)N(C)Cc1ccc(OC(F)F)cc1 ZINC000059390514 823495063 /nfs/dbraw/zinc/49/50/63/823495063.db2.gz RGNOPZVJSIIOIV-FQEVSTJZSA-N 1 0 388.458 4.392 20 0 GIADRO COc1ccc(NC(=O)[C@@H](C)[NH2+]Cc2cccc(COCc3ccco3)c2)cc1 ZINC000030511249 820628704 /nfs/dbraw/zinc/62/87/04/820628704.db2.gz LGCHCFOZEDZQGV-QGZVFWFLSA-N 1 0 394.471 4.122 20 0 GIADRO Cc1ccc(OCc2nc(C[NH2+][C@H](C)[C@H](O)Cc3ccccc3)cs2)cc1 ZINC000123294578 823492112 /nfs/dbraw/zinc/49/21/12/823492112.db2.gz UETNVSYXSORGJQ-DYESRHJHSA-N 1 0 382.529 4.112 20 0 GIADRO CN(c1ccccc1CNCc1coc(-c2cccs2)n1)C1CC[NH+](C)CC1 ZINC000177566059 823492466 /nfs/dbraw/zinc/49/24/66/823492466.db2.gz BGECHLFMNCKYOV-UHFFFAOYSA-N 1 0 396.560 4.223 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(OCc2cccnc2)cc1)c1ccc(-n2cncn2)cc1 ZINC000030545448 820637342 /nfs/dbraw/zinc/63/73/42/820637342.db2.gz VZJLNJCYUVZHAU-SFHVURJKSA-N 1 0 385.471 4.092 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc(OC[C@H]3CCCO3)cc2)cc1 ZINC000030547098 820637854 /nfs/dbraw/zinc/63/78/54/820637854.db2.gz MCICUKUTDNJJAP-HSZRJFAPSA-N 1 0 396.531 4.016 20 0 GIADRO COc1ccc(C)cc1CC[NH2+]Cc1ccc(OC)c(OCc2cccnc2)c1 ZINC000030628342 820652978 /nfs/dbraw/zinc/65/29/78/820652978.db2.gz QJXCWCUXAVJURM-UHFFFAOYSA-N 1 0 392.499 4.319 20 0 GIADRO COc1cc(C[NH2+]C[C@H](c2ccsc2)N(C)C)ccc1OCc1ccncc1 ZINC000030630670 820653723 /nfs/dbraw/zinc/65/37/23/820653723.db2.gz KHKGBKQQWRHJLB-HXUWFJFHSA-N 1 0 397.544 4.123 20 0 GIADRO c1c(C[NH2+]C[C@@H]2Cc3ccccc3O2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000030631393 820654356 /nfs/dbraw/zinc/65/43/56/820654356.db2.gz CYXNHZIRCOSATD-QFIPXVFZSA-N 1 0 382.467 4.028 20 0 GIADRO COc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]CC2CC2)cc1OC ZINC000030662362 820660603 /nfs/dbraw/zinc/66/06/03/820660603.db2.gz KUYKEIYJDQIMTR-UHFFFAOYSA-N 1 0 377.488 4.115 20 0 GIADRO CC(C)C[C@@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1)N(C)C ZINC000030663770 820660627 /nfs/dbraw/zinc/66/06/27/820660627.db2.gz OGMABXQPJAPFAI-QFIPXVFZSA-N 1 0 377.536 4.000 20 0 GIADRO COc1cc(C[NH2+]CCc2cc(F)ccc2F)ccc1OCc1ccncc1 ZINC000177582193 823496093 /nfs/dbraw/zinc/49/60/93/823496093.db2.gz IAAQAFKATXGZPE-UHFFFAOYSA-N 1 0 384.426 4.280 20 0 GIADRO Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000030770681 820680371 /nfs/dbraw/zinc/68/03/71/820680371.db2.gz HTAVEIZPPUKUMM-UHFFFAOYSA-N 1 0 382.895 4.207 20 0 GIADRO C[C@@H](C(=O)Nc1cccc2ccccc21)[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000177589188 823497216 /nfs/dbraw/zinc/49/72/16/823497216.db2.gz HXEDCDNZMDSEKM-RXVVDRJESA-N 1 0 396.531 4.217 20 0 GIADRO C[C@@]1(c2ccccc2)CC[C@@H]([NH+]2CCN(CCCOCC(F)(F)F)CC2)C1 ZINC000189803085 823497392 /nfs/dbraw/zinc/49/73/92/823497392.db2.gz OFIDXNXDPUCYJH-WOJBJXKFSA-N 1 0 384.486 4.083 20 0 GIADRO FC(F)Oc1ccc2ccccc2c1C[NH2+]Cc1ccccc1Cn1cncn1 ZINC000030900777 820705364 /nfs/dbraw/zinc/70/53/64/820705364.db2.gz ZZVMSZRFJAWDSD-UHFFFAOYSA-N 1 0 394.425 4.371 20 0 GIADRO Cn1nccc1C[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000030906781 820706019 /nfs/dbraw/zinc/70/60/19/820706019.db2.gz NAJJIXKRLAXCPO-UHFFFAOYSA-N 1 0 389.286 4.269 20 0 GIADRO Cn1nccc1C[NH2+]Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1 ZINC000030906837 820706234 /nfs/dbraw/zinc/70/62/34/820706234.db2.gz JKJSKLAQEUSZDE-UHFFFAOYSA-N 1 0 391.906 4.275 20 0 GIADRO C[N@H+](CCCNC(=O)Cc1csc(-c2cccc(F)c2)n1)Cc1ccccc1 ZINC000030937262 820710455 /nfs/dbraw/zinc/71/04/55/820710455.db2.gz CHAXEYNKFMYWOI-UHFFFAOYSA-N 1 0 397.519 4.130 20 0 GIADRO C[C@H]1C[C@H](C)C[NH+](CCCCNS(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000059829411 823499912 /nfs/dbraw/zinc/49/99/12/823499912.db2.gz ARVRNZQSPONRNW-KBPBESRZSA-N 1 0 393.380 4.030 20 0 GIADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2csc(Cc3ccccc3)n2)CC1 ZINC000123383946 823503866 /nfs/dbraw/zinc/50/38/66/823503866.db2.gz KJLYQXTXBBNQNS-UHFFFAOYSA-N 1 0 395.528 4.064 20 0 GIADRO CC[C@H]1c2ccsc2CCN1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000031094954 820738904 /nfs/dbraw/zinc/73/89/04/820738904.db2.gz NFJDEQXPDLDKHZ-FQEVSTJZSA-N 1 0 383.561 4.432 20 0 GIADRO O=C(NCCc1ccc2ccccc2c1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000031101843 820742447 /nfs/dbraw/zinc/74/24/47/820742447.db2.gz XHFVWOGQPUICTM-OAQYLSRUSA-N 1 0 377.488 4.112 20 0 GIADRO CC[C@@H](NC(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1)c1ccccc1OC ZINC000031106566 820744424 /nfs/dbraw/zinc/74/44/24/820744424.db2.gz WSOODHGKQSOJKH-OAQYLSRUSA-N 1 0 395.547 4.282 20 0 GIADRO C[N@H+](CCCNC(=O)N[C@@H]1CCSc2c(F)cccc21)Cc1ccccc1 ZINC000031105997 820744467 /nfs/dbraw/zinc/74/44/67/820744467.db2.gz MGRZMGJAVROHLI-LJQANCHMSA-N 1 0 387.524 4.184 20 0 GIADRO Cc1nc(Cc2ccc(F)cc2)sc1C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000031116265 820745858 /nfs/dbraw/zinc/74/58/58/820745858.db2.gz RBTXFYKWUSEVPX-UHFFFAOYSA-N 1 0 397.519 4.173 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1cc(Cl)ncc1Cl ZINC000123393455 823504925 /nfs/dbraw/zinc/50/49/25/823504925.db2.gz UABPWJQYOCAJFI-UHFFFAOYSA-N 1 0 378.303 4.304 20 0 GIADRO CCc1ccc(CN(C)C(=O)NC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000031148829 820754246 /nfs/dbraw/zinc/75/42/46/820754246.db2.gz PWYQWOXMRTXFHF-UHFFFAOYSA-N 1 0 379.548 4.098 20 0 GIADRO CC[C@@H](CNC(=O)c1c[nH]cc1-c1ccc(F)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000460762183 823506250 /nfs/dbraw/zinc/50/62/50/823506250.db2.gz BEAHHMJTVLRYTF-NRFANRHFSA-N 1 0 391.490 4.388 20 0 GIADRO CC[N@@H+](Cc1cc(-c2ccc(OC)cc2)no1)C[C@@H]1COc2ccccc2O1 ZINC000031174522 820759505 /nfs/dbraw/zinc/75/95/05/820759505.db2.gz KYUZVTNTGLNWSF-LJQANCHMSA-N 1 0 380.444 4.012 20 0 GIADRO Cc1cc(OCc2ccccc2)c(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)s1 ZINC000410588512 823505602 /nfs/dbraw/zinc/50/56/02/823505602.db2.gz JQIUCAHCDBEAIA-MOPGFXCFSA-N 1 0 384.545 4.192 20 0 GIADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2c(F)ccc(SCC3CC3)c2F)C1 ZINC000410591078 823505636 /nfs/dbraw/zinc/50/56/36/823505636.db2.gz PMWFDAHINGHDCT-GOEBONIOSA-N 1 0 380.504 4.023 20 0 GIADRO CC1CC[NH+](Cc2ccc(CNC(=O)CSc3ccc(F)cc3)cc2)CC1 ZINC000031200795 820767633 /nfs/dbraw/zinc/76/76/33/820767633.db2.gz BLPZZOSCVTWDBP-UHFFFAOYSA-N 1 0 386.536 4.466 20 0 GIADRO COc1cccc(C[NH+]2CCC(NC(=O)Cc3cccc4ccccc43)CC2)c1 ZINC000059886243 823501592 /nfs/dbraw/zinc/50/15/92/823501592.db2.gz CAFCDNCEPMNKGL-UHFFFAOYSA-N 1 0 388.511 4.172 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)COc2cc(Cl)ccc2Cl)c1 ZINC000060062904 823506368 /nfs/dbraw/zinc/50/63/68/823506368.db2.gz BSBWAXJOCLDFIP-UHFFFAOYSA-N 1 0 381.303 4.140 20 0 GIADRO CC[NH2+]Cc1cccc(NC(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)c1 ZINC000123402327 823505828 /nfs/dbraw/zinc/50/58/28/823505828.db2.gz HRSHIVZMFIPJRP-UHFFFAOYSA-N 1 0 399.579 4.380 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CCOCC(F)(F)C(F)F)cc1Br ZINC000189821938 823502298 /nfs/dbraw/zinc/50/22/98/823502298.db2.gz FJUDOWPOYOUEDZ-SECBINFHSA-N 1 0 388.199 4.025 20 0 GIADRO Cc1ccc(C[C@@H](C)NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)s1 ZINC000123367645 823502300 /nfs/dbraw/zinc/50/23/00/823502300.db2.gz LEEOVJHIXWZHGR-OAHLLOKOSA-N 1 0 389.540 4.090 20 0 GIADRO C[C@@H]1C[C@H](N(C)CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)CC[N@@H+]1C ZINC000123375768 823502877 /nfs/dbraw/zinc/50/28/77/823502877.db2.gz VOEHSVWJKWGWPU-IDHHARJASA-N 1 0 398.378 4.071 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@@H](C[C@@H](C)O)c1ccccc1)CC3 ZINC000123377021 823503162 /nfs/dbraw/zinc/50/31/62/823503162.db2.gz LOLNRNVPEJCXQM-BHIYHBOVSA-N 1 0 378.516 4.178 20 0 GIADRO Nc1c(Cl)cc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC000059951253 823503533 /nfs/dbraw/zinc/50/35/33/823503533.db2.gz KEDBDKIOQWRKGZ-CQSZACIVSA-N 1 0 378.303 4.426 20 0 GIADRO Cc1ccc(CC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1Br ZINC000189855342 823506518 /nfs/dbraw/zinc/50/65/18/823506518.db2.gz ZEWRYQVQDUUTQE-WBVHZDCISA-N 1 0 393.369 4.069 20 0 GIADRO C[C@H]1C[C@@H](CCNC(=O)c2scnc2C(F)(F)F)C[N@@H+]1Cc1ccccc1 ZINC000410617299 823506547 /nfs/dbraw/zinc/50/65/47/823506547.db2.gz WTMSCGFMCHYABZ-DZGCQCFKSA-N 1 0 397.466 4.192 20 0 GIADRO Cc1cccc(COc2cccc(C(=O)NC[C@@H]3CCC[N@@H+](C(C)C)C3)c2)c1 ZINC000060207375 823511782 /nfs/dbraw/zinc/51/17/82/823511782.db2.gz OGYDNOYSAVTVOY-NRFANRHFSA-N 1 0 380.532 4.424 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)CC[C@H]2Cc3ccccc3NC2=O)c1 ZINC000031531681 820821728 /nfs/dbraw/zinc/82/17/28/820821728.db2.gz BJVIEZRIRYHKPM-IBGZPJMESA-N 1 0 379.504 4.058 20 0 GIADRO CC(=O)N1CCC([NH2+][C@H]2CCCc3cc(NC(=O)OC(C)(C)C)ccc32)CC1 ZINC000189908812 823512536 /nfs/dbraw/zinc/51/25/36/823512536.db2.gz CUJJBISYCJEXRX-FQEVSTJZSA-N 1 0 387.524 4.012 20 0 GIADRO O=C(Cc1ccc(C(F)(F)F)cc1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000031565097 820826719 /nfs/dbraw/zinc/82/67/19/820826719.db2.gz OGKBOARCRBLEDZ-LJQANCHMSA-N 1 0 376.422 4.029 20 0 GIADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)CCCOc2ccc(Cl)cc2Cl)C1 ZINC000060207768 823511903 /nfs/dbraw/zinc/51/19/03/823511903.db2.gz AYBKRTMXLRXMOV-HNNXBMFYSA-N 1 0 387.351 4.389 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1cccc(OC[C@H]2CCCO2)c1 ZINC000031620026 820835186 /nfs/dbraw/zinc/83/51/86/820835186.db2.gz XLHMUWJIXPATMT-HSZRJFAPSA-N 1 0 394.515 4.483 20 0 GIADRO COc1ccc([C@H](C)CC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000177656476 823508498 /nfs/dbraw/zinc/50/84/98/823508498.db2.gz WDKIJUJIDRDDCJ-CTNGQTDRSA-N 1 0 380.532 4.169 20 0 GIADRO C[C@H](C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)s1 ZINC000177656587 823508677 /nfs/dbraw/zinc/50/86/77/823508677.db2.gz VJCNHCKTSMWQFI-DOTOQJQBSA-N 1 0 376.953 4.486 20 0 GIADRO Cc1nc2cc(C(=O)NC[C@H]3CCC[N@@H+](C(C)C)C3)ccc2n1-c1ccccc1 ZINC000060207657 823512027 /nfs/dbraw/zinc/51/20/27/823512027.db2.gz GTVSXNORMGQCRG-LJQANCHMSA-N 1 0 390.531 4.184 20 0 GIADRO NC(=O)c1csc(C[NH2+][C@@H](CC2CC2)c2cc(F)cc(Br)c2)c1 ZINC000189902519 823512091 /nfs/dbraw/zinc/51/20/91/823512091.db2.gz DZUWCFCKYFQNIT-INIZCTEOSA-N 1 0 397.313 4.380 20 0 GIADRO Cc1cc(C)c(/C=C/C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(C)c2)cc1C ZINC000031713720 820850003 /nfs/dbraw/zinc/85/00/03/820850003.db2.gz IAQYPZLXPASJAB-RMKNXTFCSA-N 1 0 377.532 4.324 20 0 GIADRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)Nc2ncc(C(F)(F)F)s2)[C@H](C(F)(F)F)C1 ZINC000410749482 823512204 /nfs/dbraw/zinc/51/22/04/823512204.db2.gz PLLJZRGDOCZNIO-HTQZYQBOSA-N 1 0 389.365 4.009 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)c2ccnc(OCc3ccccc3)c2)[NH+](C)C)cc1 ZINC000060155645 823510228 /nfs/dbraw/zinc/51/02/28/823510228.db2.gz LGSKMHXEOWQGCS-JOCHJYFZSA-N 1 0 389.499 4.002 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)c2ccc(OC3CCCC3)cc2)CC1 ZINC000031884889 820869992 /nfs/dbraw/zinc/86/99/92/820869992.db2.gz HPFULLSFTMXLJO-UHFFFAOYSA-N 1 0 393.531 4.402 20 0 GIADRO C[C@H](C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)n1cnc2ccccc21 ZINC000031900331 820872918 /nfs/dbraw/zinc/87/29/18/820872918.db2.gz FXSRXSGJTQROLL-IERDGZPVSA-N 1 0 396.922 4.204 20 0 GIADRO C[C@@H](C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)n1cnc2ccccc21 ZINC000031900326 820872955 /nfs/dbraw/zinc/87/29/55/820872955.db2.gz FXSRXSGJTQROLL-KKSFZXQISA-N 1 0 396.922 4.204 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)c3ccc(C(C)C)cc3)CC2)cc1 ZINC000060185857 823511130 /nfs/dbraw/zinc/51/11/30/823511130.db2.gz BXSITGFMAMMJRQ-UHFFFAOYSA-N 1 0 380.532 4.461 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)c3cccc4ccccc43)CC2)cc1 ZINC000060185927 823511214 /nfs/dbraw/zinc/51/12/14/823511214.db2.gz YKXSMOPWAJNFJK-UHFFFAOYSA-N 1 0 388.511 4.490 20 0 GIADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)c1cc(Cl)sc1Cl ZINC000031960012 820879820 /nfs/dbraw/zinc/87/98/20/820879820.db2.gz SSGRMOARSGVKLE-UHFFFAOYSA-N 1 0 379.378 4.146 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1cc(-c2ccccc2OC)on1)c1ccsc1 ZINC000031983273 820882832 /nfs/dbraw/zinc/88/28/32/820882832.db2.gz UVYHRKUQQLTUST-GOSISDBHSA-N 1 0 399.516 4.225 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1cc2ccc(OC)cc2nc1C)c1ccsc1 ZINC000031985280 820884257 /nfs/dbraw/zinc/88/42/57/820884257.db2.gz PFGVMILVQOFUHZ-NRFANRHFSA-N 1 0 397.544 4.426 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(-n2nccc2C)cc1)c1ccsc1 ZINC000031986155 820885191 /nfs/dbraw/zinc/88/51/91/820885191.db2.gz XZZIPPCFSQCYBR-HXUWFJFHSA-N 1 0 382.533 4.055 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1cccc(Br)c1)c1ccsc1 ZINC000031987773 820885501 /nfs/dbraw/zinc/88/55/01/820885501.db2.gz XDBDVFHRUFGUIV-MRXNPFEDSA-N 1 0 381.339 4.324 20 0 GIADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cc3ccccc3cc2NC(=O)C2CC2)C1 ZINC000060207318 823511682 /nfs/dbraw/zinc/51/16/82/823511682.db2.gz KWFNTQODLUMNQP-QGZVFWFLSA-N 1 0 393.531 4.039 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1oc2ccccc2c1COC)c1ccsc1 ZINC000031992946 820886955 /nfs/dbraw/zinc/88/69/55/820886955.db2.gz FGQQDISFDDRSTK-GOSISDBHSA-N 1 0 386.517 4.454 20 0 GIADRO Cc1nc([C@@H](C)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)oc1-c1ccc(Cl)cc1 ZINC000189956647 823517754 /nfs/dbraw/zinc/51/77/54/823517754.db2.gz WBUCZGKOVMVZSF-GDBMZVCRSA-N 1 0 391.943 4.141 20 0 GIADRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3ccc(Oc4cccnc4)cc3)C2)CC1 ZINC000060275410 823513997 /nfs/dbraw/zinc/51/39/97/823513997.db2.gz OBNMATIKGNTEFB-FQEVSTJZSA-N 1 0 393.531 4.458 20 0 GIADRO O=C(C1CC[NH+](CCCc2ccc(C(F)(F)F)cc2)CC1)N1CCCCC1 ZINC000177692690 823514211 /nfs/dbraw/zinc/51/42/11/823514211.db2.gz OCSUYUOETOKJNP-UHFFFAOYSA-N 1 0 382.470 4.363 20 0 GIADRO O=C(CSCC(=O)c1ccccc1)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000060295900 823514443 /nfs/dbraw/zinc/51/44/43/823514443.db2.gz OWXAUUSUWDQLPZ-UHFFFAOYSA-N 1 0 382.529 4.227 20 0 GIADRO Cc1occc1C(=O)NC1CC[NH+](CCCc2ccc(C(F)(F)F)cc2)CC1 ZINC000177703561 823514786 /nfs/dbraw/zinc/51/47/86/823514786.db2.gz LFRKLFNHIHIPEH-UHFFFAOYSA-N 1 0 394.437 4.434 20 0 GIADRO COc1ccc2sc(C(=O)NC[C@H](c3cccc(OC)c3)[NH+](C)C)c(C)c2c1 ZINC000460797354 823515298 /nfs/dbraw/zinc/51/52/98/823515298.db2.gz UKTMTYUHVSTBJW-LJQANCHMSA-N 1 0 398.528 4.260 20 0 GIADRO O=C(CCCc1c[nH]c2ccccc12)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000032398821 820933291 /nfs/dbraw/zinc/93/32/91/820933291.db2.gz NUPCBLGLOOVLDN-UHFFFAOYSA-N 1 0 375.516 4.055 20 0 GIADRO Cc1nc(C[NH2+]C2(c3ccc(Br)cc3)CCOCC2)sc1C ZINC000177713994 823515789 /nfs/dbraw/zinc/51/57/89/823515789.db2.gz OGVNDRWAKUGMCE-UHFFFAOYSA-N 1 0 381.339 4.318 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)c2cnn(-c3ccc(F)cc3)c2C)cc1 ZINC000032423975 820941159 /nfs/dbraw/zinc/94/11/59/820941159.db2.gz HCYIZDFEKCMVCO-UHFFFAOYSA-N 1 0 394.494 4.092 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)c2csc(Br)c2)cc1 ZINC000032423969 820941206 /nfs/dbraw/zinc/94/12/06/820941206.db2.gz QZRUAXSOMQRVJS-UHFFFAOYSA-N 1 0 381.339 4.282 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)Nc2ccc(-c3nncs3)cc2)cc1)C1CC1 ZINC000410814333 823516105 /nfs/dbraw/zinc/51/61/05/823516105.db2.gz RKQJQQHQCWIDDI-UHFFFAOYSA-N 1 0 378.501 4.442 20 0 GIADRO CC[C@H](NC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1)c1c(C)noc1C ZINC000123513252 823516156 /nfs/dbraw/zinc/51/61/56/823516156.db2.gz QDSBLXBOSYXADN-SFHVURJKSA-N 1 0 392.931 4.169 20 0 GIADRO CC(C)C[C@@H]1CCCC[N@@H+]1Cc1nc(C(C)(C)NC(=O)OC(C)(C)C)no1 ZINC000123521006 823516986 /nfs/dbraw/zinc/51/69/86/823516986.db2.gz QPLWUMFUVHTCQE-HNNXBMFYSA-N 1 0 380.533 4.230 20 0 GIADRO Cc1cc(NC(=O)c2ccc(OCCC(C)C)cc2)ccc1N1CC[NH+](C)CC1 ZINC000032495253 820960774 /nfs/dbraw/zinc/96/07/74/820960774.db2.gz SMZWFWTXGSLOMZ-UHFFFAOYSA-N 1 0 395.547 4.424 20 0 GIADRO OCC[C@H]1CCC[C@@H]1[NH2+]Cc1csc(-c2cccc(Br)c2)n1 ZINC000189963792 823518554 /nfs/dbraw/zinc/51/85/54/823518554.db2.gz JROLIAVAVXFGPH-WBMJQRKESA-N 1 0 381.339 4.213 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)Cn2ccc3ccc(Cl)cc32)[NH+]2CCCC2)o1 ZINC000060354961 823518856 /nfs/dbraw/zinc/51/88/56/823518856.db2.gz AJGOJAVTPCCPGG-LJQANCHMSA-N 1 0 385.895 4.149 20 0 GIADRO O=C(CCc1cccc(Cl)c1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000060355380 823519079 /nfs/dbraw/zinc/51/90/79/823519079.db2.gz YVQHIXYXKHVDAX-UHFFFAOYSA-N 1 0 384.951 4.440 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)C[N@@H+](C)[C@@H](C)[C@H](C)c2ccc(Cl)cc2)cc1 ZINC000177742531 823519187 /nfs/dbraw/zinc/51/91/87/823519187.db2.gz JPWHDZMWWGWUEW-GJZGRUSLSA-N 1 0 387.911 4.361 20 0 GIADRO C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000032638245 820982440 /nfs/dbraw/zinc/98/24/40/820982440.db2.gz PQRDPFCLGDSMQF-BXUZGUMPSA-N 1 0 387.332 4.241 20 0 GIADRO O=c1ccccn1Cc1ccc(C[NH2+]Cc2ccc(Cl)c3cccnc23)cc1 ZINC000177746895 823520019 /nfs/dbraw/zinc/52/00/19/823520019.db2.gz LTGZZHAFGYGUCU-UHFFFAOYSA-N 1 0 389.886 4.388 20 0 GIADRO CCC[C@H]([NH2+]Cc1sc(C)nc1C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000123549804 823520193 /nfs/dbraw/zinc/52/01/93/823520193.db2.gz PCLZGIMXTHJKMN-IBGZPJMESA-N 1 0 386.565 4.257 20 0 GIADRO O=C(N[C@@H](c1cccs1)c1ccc2c(c1)CCCC2)[C@H]1CCn2cncc2C1 ZINC000123551170 823520368 /nfs/dbraw/zinc/52/03/68/823520368.db2.gz BXUNRFOMVSMAFZ-SIKLNZKXSA-N 1 0 391.540 4.292 20 0 GIADRO CCc1ccc([C@H](CNC(=O)Cc2csc(-c3cccs3)n2)[NH+](C)C)cc1 ZINC000032733841 821000656 /nfs/dbraw/zinc/00/06/56/821000656.db2.gz UMFLEYDYHGXQCA-SFHVURJKSA-N 1 0 399.585 4.396 20 0 GIADRO C[C@@H](CNC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1)[N@@H+]1CCCC[C@@H]1C ZINC000032737587 821001653 /nfs/dbraw/zinc/00/16/53/821001653.db2.gz OMJUJRSSWYWJAM-IRXDYDNUSA-N 1 0 397.494 4.071 20 0 GIADRO COCC[C@H](Cc1cccc(F)c1)[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000177751310 823520670 /nfs/dbraw/zinc/52/06/70/823520670.db2.gz ZLFLCOKLTPDVRW-OXJNMPFZSA-N 1 0 386.467 4.081 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)[C@H](C)c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000460817350 823520672 /nfs/dbraw/zinc/52/06/72/823520672.db2.gz YSJGQVTZAJCFQT-OXQOHEQNSA-N 1 0 386.923 4.405 20 0 GIADRO Cc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]CC2(CCO)CC2)cc1 ZINC000189999487 823523953 /nfs/dbraw/zinc/52/39/53/823523953.db2.gz FZOJCNGNCLTICU-UHFFFAOYSA-N 1 0 375.516 4.159 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)c2csc(-c3ccc(C)o3)n2)CC1 ZINC000032946015 821021266 /nfs/dbraw/zinc/02/12/66/821021266.db2.gz IFZSTKXVQVPTGW-UHFFFAOYSA-N 1 0 396.516 4.106 20 0 GIADRO C[NH+]1CCN(c2ccccc2NC(=O)c2cc3c(ccc4ccccc34)[nH]2)CC1 ZINC000032946093 821021368 /nfs/dbraw/zinc/02/13/68/821021368.db2.gz PSDZOVNYKIJUPP-UHFFFAOYSA-N 1 0 384.483 4.325 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)CC1 ZINC000060404528 823524022 /nfs/dbraw/zinc/52/40/22/823524022.db2.gz ZQGCMFOIQPDYDZ-UHFFFAOYSA-N 1 0 383.536 4.049 20 0 GIADRO COc1ccc(C[NH+](C)C)cc1NC(=O)c1csc(Cc2ccccc2)n1 ZINC000033176908 821043230 /nfs/dbraw/zinc/04/32/30/821043230.db2.gz SVSLSLUOLGHBQE-UHFFFAOYSA-N 1 0 381.501 4.056 20 0 GIADRO CC[C@H](NC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1c(C)noc1C ZINC000123630662 823527562 /nfs/dbraw/zinc/52/75/62/823527562.db2.gz VBRDOUZSKJBHPS-UXHICEINSA-N 1 0 384.524 4.049 20 0 GIADRO O=C(Nc1ccccc1)c1ccc(C[N@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)cc1 ZINC000123634696 823528091 /nfs/dbraw/zinc/52/80/91/823528091.db2.gz QFHGVCVJWLBFMB-YADHBBJMSA-N 1 0 396.556 4.425 20 0 GIADRO C[NH+]1CCN(c2ccc(NC(=O)CCc3cccc(C(F)(F)F)c3)cc2)CC1 ZINC000033585437 821057878 /nfs/dbraw/zinc/05/78/78/821057878.db2.gz FEOSEAQFHHHDHF-UHFFFAOYSA-N 1 0 391.437 4.029 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc(Cl)cc1Cl ZINC000036632442 821073299 /nfs/dbraw/zinc/07/32/99/821073299.db2.gz KEZTXLYDIQDBOD-UHFFFAOYSA-N 1 0 378.303 4.306 20 0 GIADRO CC1CC[NH+]([C@H](CNC(=O)CCSCc2ccccn2)c2ccccc2)CC1 ZINC000060410430 823524461 /nfs/dbraw/zinc/52/44/61/823524461.db2.gz RTMSAZYWIZATAK-JOCHJYFZSA-N 1 0 397.588 4.294 20 0 GIADRO COc1ccc(C)cc1NC(=O)C[NH2+][C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000177815391 823529568 /nfs/dbraw/zinc/52/95/68/823529568.db2.gz KUURXJOQROAXSC-CQSZACIVSA-N 1 0 396.409 4.234 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3cc(-c4ccco4)on3)cc2)C1 ZINC000060414269 823525010 /nfs/dbraw/zinc/52/50/10/823525010.db2.gz DKABWPBYWPMCFK-MRXNPFEDSA-N 1 0 379.460 4.097 20 0 GIADRO COc1cccc([C@@H](C)[NH2+]CCC(=O)Nc2ccc(Br)cc2F)c1 ZINC000411447199 823575441 /nfs/dbraw/zinc/57/54/41/823575441.db2.gz BIFQTPBYERYHMM-GFCCVEGCSA-N 1 0 395.272 4.276 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)c1cccc(OC(F)(F)F)c1 ZINC000177777886 823525020 /nfs/dbraw/zinc/52/50/20/823525020.db2.gz UNJHPDLSOIXQOF-AWEZNQCLSA-N 1 0 376.382 4.076 20 0 GIADRO O=C(Cc1coc2cc3c(cc12)CCC3)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000036883696 821089055 /nfs/dbraw/zinc/08/90/55/821089055.db2.gz IIVPWDQBXKFHGX-QHCPKHFHSA-N 1 0 388.511 4.417 20 0 GIADRO Cc1ccc(NC2CCN(c3cc[nH+]cc3)CC2)cc1I ZINC000037055691 821089556 /nfs/dbraw/zinc/08/95/56/821089556.db2.gz NVVBIFGSUOLFSN-UHFFFAOYSA-N 1 0 393.272 4.076 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCO2)c1ccc(I)cc1 ZINC000037283454 821091391 /nfs/dbraw/zinc/09/13/91/821091391.db2.gz APFVVOGEZDDNLX-NEPJUHHUSA-N 1 0 395.240 4.432 20 0 GIADRO COc1cc(F)c([C@H](C)[NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)cc1OC ZINC000177780035 823525416 /nfs/dbraw/zinc/52/54/16/823525416.db2.gz NHDMQOITRCXGNV-MEDUHNTESA-N 1 0 387.373 4.246 20 0 GIADRO CCc1ccccc1C[NH2+]Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2 ZINC000123610279 823525427 /nfs/dbraw/zinc/52/54/27/823525427.db2.gz ZMBWTARRXKYDNO-UHFFFAOYSA-N 1 0 377.488 4.101 20 0 GIADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@H](C)c2ccc(Cl)s2)cc1 ZINC000177816788 823529835 /nfs/dbraw/zinc/52/98/35/823529835.db2.gz TXVMLFQXTOKISB-CYBMUJFWSA-N 1 0 386.970 4.283 20 0 GIADRO Cc1c([C@H](C)NCc2cccc(C[NH+](C)C)c2)nnn1-c1ccc(Cl)cc1 ZINC000123669536 823530409 /nfs/dbraw/zinc/53/04/09/823530409.db2.gz BVCVVEFRMUAIRQ-HNNXBMFYSA-N 1 0 383.927 4.142 20 0 GIADRO O=C(NC[C@H]1CC[C@@H](c2ccccc2)O1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000460859094 823530440 /nfs/dbraw/zinc/53/04/40/823530440.db2.gz KABHSXCCYZNIRE-WWNPGLIZSA-N 1 0 396.506 4.074 20 0 GIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)Nc2cscc2C)CC1 ZINC000123677288 823530788 /nfs/dbraw/zinc/53/07/88/823530788.db2.gz YIEWRHIQDKSNLI-OAHLLOKOSA-N 1 0 390.528 4.220 20 0 GIADRO c1ccc(COc2ccc(C3([NH2+]CCc4cccnc4)CCOCC3)cc2)cc1 ZINC000177821394 823530888 /nfs/dbraw/zinc/53/08/88/823530888.db2.gz XHNJNQRTICNIJD-UHFFFAOYSA-N 1 0 388.511 4.499 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1csc(-c2ccccc2Cl)n1 ZINC000177822512 823531186 /nfs/dbraw/zinc/53/11/86/823531186.db2.gz SDRRPJKPIHDPKS-KGLIPLIRSA-N 1 0 375.925 4.162 20 0 GIADRO C[C@H]1C[NH+](CCCCNC(=O)Cc2coc3ccc4ccccc4c23)C[C@H](C)O1 ZINC000123682000 823531285 /nfs/dbraw/zinc/53/12/85/823531285.db2.gz NVMSJPXKFNIMSM-ROUUACIJSA-N 1 0 394.515 4.134 20 0 GIADRO CC[NH+](CC)CCOc1ccc(NC(=O)Cn2ccc3cc(OC)ccc32)cc1 ZINC000060505153 823535449 /nfs/dbraw/zinc/53/54/49/823535449.db2.gz FDUWDAXULUNMHT-UHFFFAOYSA-N 1 0 395.503 4.009 20 0 GIADRO O=C(NC[C@@H]1CCCC[N@H+]1Cc1ccc(OC(F)F)cc1)Nc1ccccc1 ZINC000060467842 823531509 /nfs/dbraw/zinc/53/15/09/823531509.db2.gz YRRXEEASCPHYPW-SFHVURJKSA-N 1 0 389.446 4.464 20 0 GIADRO COc1ccc(Cc2nc(C)c([C@@H](C)[NH2+][C@@H](CCO)C(C)C)s2)cc1OC ZINC000123689605 823531880 /nfs/dbraw/zinc/53/18/80/823531880.db2.gz LOHWTAVBGYIJLJ-PBHICJAKSA-N 1 0 392.565 4.117 20 0 GIADRO C[N@@H+]1CC[C@H](CNC(=O)Cc2ccccc2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123736620 823536030 /nfs/dbraw/zinc/53/60/30/823536030.db2.gz KKIJVQNYKXMKLY-QRWLVFNGSA-N 1 0 395.305 4.484 20 0 GIADRO Cc1cc(CNc2ccccc2N2CC[NH+](CCc3ccncc3)CC2)c(C)o1 ZINC000123690850 823532027 /nfs/dbraw/zinc/53/20/27/823532027.db2.gz ZEZKIEXKPIIIFE-UHFFFAOYSA-N 1 0 390.531 4.268 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)N1CC2(CCC2)[C@H]1C1CC1)c1cccc(C(F)(F)F)c1 ZINC000460882936 823535572 /nfs/dbraw/zinc/53/55/72/823535572.db2.gz NHGVHKJWHPRJOL-ZWKOTPCHSA-N 1 0 395.469 4.282 20 0 GIADRO Brc1ccc(-c2ccc(C[NH2+]CCCOC[C@@H]3CCOC3)o2)cc1 ZINC000123695912 823532430 /nfs/dbraw/zinc/53/24/30/823532430.db2.gz MLHKSRKILSZKFR-HNNXBMFYSA-N 1 0 394.309 4.242 20 0 GIADRO CCOc1ccc(C(=O)N2CCC([NH2+][C@@H](C)[C@H](C)c3ccccc3)CC2)cc1 ZINC000177828873 823532520 /nfs/dbraw/zinc/53/25/20/823532520.db2.gz WKDKZJQHEIXQCO-OALUTQOASA-N 1 0 380.532 4.472 20 0 GIADRO O=C(CCc1ccc(Cl)c(Cl)c1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000040653959 821163397 /nfs/dbraw/zinc/16/33/97/821163397.db2.gz NZXCTRVQUSPZTM-QGZVFWFLSA-N 1 0 381.303 4.472 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)[C@@H](C)Cc1ccc(F)cc1)[NH+]1CCCCC1 ZINC000040654331 821163488 /nfs/dbraw/zinc/16/34/88/821163488.db2.gz NGRHZKSFSOLFIL-AVRDEDQJSA-N 1 0 398.522 4.356 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1ccccc1 ZINC000041021996 821168060 /nfs/dbraw/zinc/16/80/60/821168060.db2.gz NDLQZHBURZEAHH-IBGZPJMESA-N 1 0 397.906 4.347 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)CCc1ncc(-c2ccc(C)cc2)o1)c1ccco1 ZINC000041021149 821168093 /nfs/dbraw/zinc/16/80/93/821168093.db2.gz OCTSDEBXYKUUPQ-LJQANCHMSA-N 1 0 395.503 4.375 20 0 GIADRO CCC[NH+]1CCN(c2ccc(NC(=O)c3ccc(Cl)o3)c(OCC)c2)CC1 ZINC000190077308 823534585 /nfs/dbraw/zinc/53/45/85/823534585.db2.gz OBFFEQHFMTWIOB-UHFFFAOYSA-N 1 0 391.899 4.116 20 0 GIADRO CCC(CC)n1ncc(C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1C ZINC000123720993 823534732 /nfs/dbraw/zinc/53/47/32/823534732.db2.gz QMDAHFRGWKMSQL-UZLBHIALSA-N 1 0 388.581 4.427 20 0 GIADRO CCCc1cc[n+](C(C(=O)c2ccc(Cl)s2)C(=S)NC2CC2)cc1 ZINC000041465682 821194574 /nfs/dbraw/zinc/19/45/74/821194574.db2.gz RUUPOEUYIIBSOB-UHFFFAOYSA-O 1 0 379.958 4.332 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000041488449 821197714 /nfs/dbraw/zinc/19/77/14/821197714.db2.gz HCUKSOCJEYMUHK-UHFFFAOYSA-N 1 0 395.547 4.079 20 0 GIADRO C[C@H]1C[C@H]([N@H+](C)CCC(=O)Nc2ccccc2Oc2ccccc2)CCN1C ZINC000123741658 823536215 /nfs/dbraw/zinc/53/62/15/823536215.db2.gz SQPHZIZBAHPNMB-RBUKOAKNSA-N 1 0 381.520 4.222 20 0 GIADRO COc1ccc2sc(C(=O)NCc3ccc(OCC[NH+](C)C)cc3)c(C)c2c1 ZINC000460887369 823536311 /nfs/dbraw/zinc/53/63/11/823536311.db2.gz QESNURULIBSZPS-UHFFFAOYSA-N 1 0 398.528 4.089 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]CC(=O)Nc2cccc(Cl)c2C)cc1 ZINC000177851429 823536316 /nfs/dbraw/zinc/53/63/16/823536316.db2.gz GWGHEOYXEUJMHN-OAHLLOKOSA-N 1 0 382.895 4.432 20 0 GIADRO COc1cccc([C@@H](CNC(=O)c2cc(F)c(F)cc2Cl)[NH+]2CCCC2)c1 ZINC000041595420 821213698 /nfs/dbraw/zinc/21/36/98/821213698.db2.gz FWCXGOKOJJEDBY-LJQANCHMSA-N 1 0 394.849 4.194 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCC2)C1 ZINC000177883441 823540913 /nfs/dbraw/zinc/54/09/13/823540913.db2.gz SOAKYRLXLYHQKK-MRXNPFEDSA-N 1 0 397.485 4.110 20 0 GIADRO C[C@H]([NH2+]CCc1cccnc1)c1ccc(Br)cc1Br ZINC000041652870 821215895 /nfs/dbraw/zinc/21/58/95/821215895.db2.gz ZTJVRQSZYLRIRI-NSHDSACASA-N 1 0 384.115 4.500 20 0 GIADRO C[C@@H](Cn1cccn1)[NH2+][C@@H](C)c1ccc(Br)cc1Br ZINC000041650518 821215995 /nfs/dbraw/zinc/21/59/95/821215995.db2.gz KECMDRPAXCCQCN-QWRGUYRKSA-N 1 0 387.119 4.147 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=S)Nc1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000041746718 821222252 /nfs/dbraw/zinc/22/22/52/821222252.db2.gz YCTAZZMZYITQEQ-MRXNPFEDSA-N 1 0 378.523 4.026 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCc2cccc3cccnc32)CC1 ZINC000177860528 823537549 /nfs/dbraw/zinc/53/75/49/823537549.db2.gz KQHRUQDQXVLNJV-IBGZPJMESA-N 1 0 394.563 4.421 20 0 GIADRO CCCOc1ccc(NC(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)cc1OCCC ZINC000177861908 823537915 /nfs/dbraw/zinc/53/79/15/823537915.db2.gz CSZRXWKSTXYNRS-PKOBYXMFSA-N 1 0 391.556 4.458 20 0 GIADRO Cc1cc(CSc2ccccc2C(=O)NCC2([NH+](C)C)CCCCC2)on1 ZINC000041794258 821231202 /nfs/dbraw/zinc/23/12/02/821231202.db2.gz DFBBMAGHVUJARI-UHFFFAOYSA-N 1 0 387.549 4.270 20 0 GIADRO CN(C(=O)c1cccs1)c1ccccc1C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000041798007 821231486 /nfs/dbraw/zinc/23/14/86/821231486.db2.gz OJSXAQWAVCLTDT-UHFFFAOYSA-N 1 0 399.560 4.019 20 0 GIADRO COCCC1(C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CCCC1 ZINC000123758118 823537991 /nfs/dbraw/zinc/53/79/91/823537991.db2.gz FBMINXWUOXAMAJ-LPHOPBHVSA-N 1 0 396.934 4.185 20 0 GIADRO Cc1c(Br)cccc1CC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000190108417 823538069 /nfs/dbraw/zinc/53/80/69/823538069.db2.gz XBHHYQJOCVOGNG-RDJZCZTQSA-N 1 0 393.369 4.069 20 0 GIADRO CCOc1cc2c(cc1C[NH2+]C[C@H](O)c1ccccc1C(F)(F)F)O[C@@H](C)C2 ZINC000060522597 823538176 /nfs/dbraw/zinc/53/81/76/823538176.db2.gz RZSJALXZXOKRCK-UGSOOPFHSA-N 1 0 395.421 4.251 20 0 GIADRO Cc1nc(C2(NC(=O)c3ccc(C[NH+]4CCCCC4)cc3)CCCCCC2)no1 ZINC000041840172 821235985 /nfs/dbraw/zinc/23/59/85/821235985.db2.gz UQSZDBRBQABKIR-UHFFFAOYSA-N 1 0 396.535 4.343 20 0 GIADRO COc1cccc(C(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000041847306 821236820 /nfs/dbraw/zinc/23/68/20/821236820.db2.gz GRWRNYSHIYPTGG-UHFFFAOYSA-N 1 0 392.421 4.062 20 0 GIADRO CC[C@H](C)NC(=O)CC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(C)cc1 ZINC000060526740 823538458 /nfs/dbraw/zinc/53/84/58/823538458.db2.gz TVYKFXFMYNDDPF-IBGZPJMESA-N 1 0 390.531 4.242 20 0 GIADRO CC(C)c1c(C(=O)NCCC[N@@H+](C)C(C)C)cnn1-c1cccc(Cl)c1 ZINC000041929283 821246459 /nfs/dbraw/zinc/24/64/59/821246459.db2.gz NVHSTFWSDTYEMH-UHFFFAOYSA-N 1 0 376.932 4.109 20 0 GIADRO CC(C)(C)[N@@H+]1CCCN(C(=O)NCC(c2ccccc2)c2ccccc2)CC1 ZINC000060532534 823539188 /nfs/dbraw/zinc/53/91/88/823539188.db2.gz JWQJUYGSBUHZAX-UHFFFAOYSA-N 1 0 379.548 4.334 20 0 GIADRO CCc1ccc([C@@H](COC)[NH2+]CCC(=O)Nc2cc(Cl)ccc2Cl)o1 ZINC000411511966 823582873 /nfs/dbraw/zinc/58/28/73/823582873.db2.gz KQLRLKZUAHRASX-MRXNPFEDSA-N 1 0 385.291 4.455 20 0 GIADRO CCCCNC(=O)c1ccc(C[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)cc1 ZINC000177876608 823540040 /nfs/dbraw/zinc/54/00/40/823540040.db2.gz ALSQZRLCOBZUHP-QGZVFWFLSA-N 1 0 395.503 4.024 20 0 GIADRO C[C@H]([NH2+]C1CCN(C(=O)c2ccncc2)CC1)[C@H](C)c1nc2ccccc2s1 ZINC000177885340 823541308 /nfs/dbraw/zinc/54/13/08/823541308.db2.gz IJHQCVCFQOLNKX-HOTGVXAUSA-N 1 0 394.544 4.078 20 0 GIADRO CCCCNC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000177879144 823540195 /nfs/dbraw/zinc/54/01/95/823540195.db2.gz SUEXUFZLLOBPJA-SFHVURJKSA-N 1 0 393.531 4.194 20 0 GIADRO CCNC(=O)c1cccc(C[NH2+][C@H](C)c2ccc(F)c(Br)c2)c1 ZINC000177880866 823540451 /nfs/dbraw/zinc/54/04/51/823540451.db2.gz TYDQOQWYWBKDTD-GFCCVEGCSA-N 1 0 379.273 4.189 20 0 GIADRO Cc1oc(-c2ccccc2)nc1C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000042127510 821270721 /nfs/dbraw/zinc/27/07/21/821270721.db2.gz XBVREURZQOJQTD-UHFFFAOYSA-N 1 0 389.499 4.353 20 0 GIADRO CCOc1ccc(CCNC(=O)c2cccc(C[NH+]3CCCC3)c2)cc1OCC ZINC000060550656 823541395 /nfs/dbraw/zinc/54/13/95/823541395.db2.gz RJBZETZYJFYAAQ-UHFFFAOYSA-N 1 0 396.531 4.052 20 0 GIADRO CCOc1c(Cl)cc(C[NH2+]Cc2cc3c(cc2OC)C[C@@H](C)O3)cc1OC ZINC000042208720 821284810 /nfs/dbraw/zinc/28/48/10/821284810.db2.gz ZEDUFLYNAUYWMV-CYBMUJFWSA-N 1 0 391.895 4.369 20 0 GIADRO Cc1ccc(COc2ccc(C[NH2+]C3CCN(C(=O)C4CC4)CC3)cc2)cc1 ZINC000042209400 821284825 /nfs/dbraw/zinc/28/48/25/821284825.db2.gz XXGBHJNTAPDCJY-UHFFFAOYSA-N 1 0 378.516 4.065 20 0 GIADRO CN(C)c1ccc(C[NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)cn1 ZINC000042227595 821287890 /nfs/dbraw/zinc/28/78/90/821287890.db2.gz KALJHJRAHWWQMU-UHFFFAOYSA-N 1 0 394.906 4.343 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)N(C)Cc1ccc(F)c(F)c1)c1ccsc1 ZINC000042346497 821302735 /nfs/dbraw/zinc/30/27/35/821302735.db2.gz OEIYOOGOPWJLIB-GOSISDBHSA-N 1 0 381.492 4.251 20 0 GIADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C ZINC000042538821 821309790 /nfs/dbraw/zinc/30/97/90/821309790.db2.gz RMCBYDGPNKECMI-OAHLLOKOSA-N 1 0 376.932 4.074 20 0 GIADRO C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000042633641 821316721 /nfs/dbraw/zinc/31/67/21/821316721.db2.gz XHDWREMYDSBMDA-OXQOHEQNSA-N 1 0 384.545 4.385 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)Cc1coc(-c2ccccc2)n1 ZINC000042699754 821325481 /nfs/dbraw/zinc/32/54/81/821325481.db2.gz HSAWLACMTGMOFQ-UHFFFAOYSA-N 1 0 393.487 4.243 20 0 GIADRO CC(C)(C)n1nc(C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1C1CC1 ZINC000042738280 821328662 /nfs/dbraw/zinc/32/86/62/821328662.db2.gz VSUUGVQTDTUGBY-UHFFFAOYSA-N 1 0 380.536 4.041 20 0 GIADRO CCc1ccc([C@@H](NC(=O)C[N@H+](C[C@@H]2CCOC2)C2CC2)c2cccs2)cc1 ZINC000123794833 823541566 /nfs/dbraw/zinc/54/15/66/823541566.db2.gz QHXYYJNCGGVFRM-FDDCHVKYSA-N 1 0 398.572 4.017 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)NCc2nc3ccccc3s2)CC1 ZINC000042815634 821335021 /nfs/dbraw/zinc/33/50/21/821335021.db2.gz OBAYLYHZKZWBNZ-UHFFFAOYSA-N 1 0 394.544 4.069 20 0 GIADRO CCCOCc1ccccc1CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000042929945 821345936 /nfs/dbraw/zinc/34/59/36/821345936.db2.gz HVOPYCVQUOGIKK-UHFFFAOYSA-N 1 0 395.547 4.077 20 0 GIADRO C[C@@H](Oc1ccc(F)cc1Br)C(=O)Nc1ccccc1C[NH+](C)C ZINC000043039209 821356213 /nfs/dbraw/zinc/35/62/13/821356213.db2.gz XLVCDOTZSNEXLE-GFCCVEGCSA-N 1 0 395.272 4.056 20 0 GIADRO CCCOc1c(Cl)cc(C(=O)N(C)C2CC[NH+](CC)CC2)cc1OCC ZINC000043064516 821357771 /nfs/dbraw/zinc/35/77/71/821357771.db2.gz DXHKIQIGOGWADT-UHFFFAOYSA-N 1 0 382.932 4.084 20 0 GIADRO CC(C)[C@@H](NC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)c1nc2ccccc2[nH]1 ZINC000043105326 821361354 /nfs/dbraw/zinc/36/13/54/821361354.db2.gz WQPUONRKBLAHNU-FXAWDEMLSA-N 1 0 385.556 4.214 20 0 GIADRO Cc1cc(Br)ccc1SCC(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC000043113213 821362492 /nfs/dbraw/zinc/36/24/92/821362492.db2.gz VWJAMUXOQSUCMR-UHFFFAOYSA-N 1 0 399.398 4.181 20 0 GIADRO COC(=O)Nc1ccc(NC(=O)NCC2([NH+]3CCCCC3)CCCCC2)cc1 ZINC000043110256 821362673 /nfs/dbraw/zinc/36/26/73/821362673.db2.gz RIOLGNNTPONJKC-UHFFFAOYSA-N 1 0 388.512 4.175 20 0 GIADRO COc1ccc([C@@H](CNC(=O)N2CCC[C@H]2c2ccsc2)[NH+]2CCCC2)cc1 ZINC000043111425 821362747 /nfs/dbraw/zinc/36/27/47/821362747.db2.gz IKCRMXKSYDAJNI-LEWJYISDSA-N 1 0 399.560 4.440 20 0 GIADRO CC(C)c1ccc(-c2noc(CCC(=O)N(C)C3CC[NH+](C(C)C)CC3)n2)cc1 ZINC000043115897 821362893 /nfs/dbraw/zinc/36/28/93/821362893.db2.gz RILRBCIRXXSULI-UHFFFAOYSA-N 1 0 398.551 4.124 20 0 GIADRO CC(C)[NH+]1CCC(N(C)C(=O)COc2cc(Cl)c(Cl)cc2Cl)CC1 ZINC000043113259 821362942 /nfs/dbraw/zinc/36/29/42/821362942.db2.gz CMQPSDMXIIBGSZ-UHFFFAOYSA-N 1 0 393.742 4.357 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)Nc1cccc(Br)c1 ZINC000043134559 821365887 /nfs/dbraw/zinc/36/58/87/821365887.db2.gz BQRAFVMYMIQTEC-OAHLLOKOSA-N 1 0 378.270 4.001 20 0 GIADRO COc1ccc(F)cc1[C@H](C)NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000043135999 821365915 /nfs/dbraw/zinc/36/59/15/821365915.db2.gz PCSJYWZQUZCNQE-YJBOKZPZSA-N 1 0 389.471 4.015 20 0 GIADRO Cc1cccc(NC(=O)NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1C ZINC000043136584 821366397 /nfs/dbraw/zinc/36/63/97/821366397.db2.gz WEXNCNZFAGVPOR-HDICACEKSA-N 1 0 381.520 4.234 20 0 GIADRO CCN1CC[NH+](CCCCNC(=O)Nc2c(C(C)C)cccc2C(C)C)CC1 ZINC000043171078 821373181 /nfs/dbraw/zinc/37/31/81/821373181.db2.gz BUDWSFOOHUXYHE-UHFFFAOYSA-N 1 0 388.600 4.473 20 0 GIADRO CC(C)n1cnnc1[C@H]1CCC[N@H+](CCc2cccc(OC(F)(F)F)c2)C1 ZINC000180625733 821373668 /nfs/dbraw/zinc/37/36/68/821373668.db2.gz OAJUGOJSWUGCPU-INIZCTEOSA-N 1 0 382.430 4.180 20 0 GIADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N(Cc1cccs1)C1CC1 ZINC000043231466 821378251 /nfs/dbraw/zinc/37/82/51/821378251.db2.gz RAMLWCOLHJDZGS-KRWDZBQOSA-N 1 0 375.563 4.321 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(C(=O)N2CCCCC2)c1)c1cccc(-n2ccnc2)c1 ZINC000180649475 821381974 /nfs/dbraw/zinc/38/19/74/821381974.db2.gz CVLBEBUSKUXMPG-IBGZPJMESA-N 1 0 388.515 4.349 20 0 GIADRO COc1ccc([C@@H](CNC(=O)Nc2c(F)cccc2F)[NH+]2CCCCC2)cc1 ZINC000043265870 821383048 /nfs/dbraw/zinc/38/30/48/821383048.db2.gz NWLQDSDGAAXHGP-LJQANCHMSA-N 1 0 389.446 4.322 20 0 GIADRO COc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccc(Cl)cc3F)CC2)cc1 ZINC000043275910 821385464 /nfs/dbraw/zinc/38/54/64/821385464.db2.gz GGDKQYLUXXCPPB-UHFFFAOYSA-N 1 0 391.874 4.228 20 0 GIADRO COC(=O)CC[C@@H]([NH2+][C@H](C)c1cnn(Cc2ccccc2)c1)c1ccccc1 ZINC000180666460 821387892 /nfs/dbraw/zinc/38/78/92/821387892.db2.gz QBOXDUOELVYEDN-XMSQKQJNSA-N 1 0 377.488 4.277 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(N(C)C)cc1)c1cccc(C(F)(F)F)c1 ZINC000043302890 821388308 /nfs/dbraw/zinc/38/83/08/821388308.db2.gz WGEZIYGEMLJIHL-KGLIPLIRSA-N 1 0 379.426 4.449 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+]Cc2cc(=O)oc3c(C)c(O)ccc23)cc1OCC ZINC000043301801 821388340 /nfs/dbraw/zinc/38/83/40/821388340.db2.gz RCICRYYNBHQVDT-OAHLLOKOSA-N 1 0 397.471 4.455 20 0 GIADRO C[C@H](CC(=O)N1CCCCCC1)[NH2+]CC1(c2ccccc2Cl)CCOCC1 ZINC000180676222 821391488 /nfs/dbraw/zinc/39/14/88/821391488.db2.gz YINZESMDLYJBAW-GOSISDBHSA-N 1 0 392.971 4.159 20 0 GIADRO Cc1ccc(NC(=O)NC[C@H](c2cccs2)[NH+](C)C)c(Br)c1 ZINC000043328485 821392633 /nfs/dbraw/zinc/39/26/33/821392633.db2.gz WQPVXYUKOSWNPF-CQSZACIVSA-N 1 0 382.327 4.243 20 0 GIADRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N(CC[NH+](C)C)C(C)C ZINC000180682987 821394072 /nfs/dbraw/zinc/39/40/72/821394072.db2.gz SUHUMCMCRJJHTR-UHFFFAOYSA-N 1 0 397.523 4.443 20 0 GIADRO C[C@@H]([NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1)c1cnn(Cc2ccccc2)c1 ZINC000180688895 821395616 /nfs/dbraw/zinc/39/56/16/821395616.db2.gz KEMWVFZGVQCTOU-QRWLVFNGSA-N 1 0 389.421 4.334 20 0 GIADRO CCOc1cccc([C@H](C)[NH2+]CC(=O)Nc2cc(OC)c(Cl)cc2OC)c1 ZINC000180688122 821395872 /nfs/dbraw/zinc/39/58/72/821395872.db2.gz PEJAICUVYLSJGX-ZDUSSCGKSA-N 1 0 392.883 4.045 20 0 GIADRO COc1cc(C)c([C@H](C)[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)cc1OC ZINC000180692731 821398350 /nfs/dbraw/zinc/39/83/50/821398350.db2.gz HBGLZPUTTOHQSU-SUMWQHHRSA-N 1 0 383.410 4.415 20 0 GIADRO COc1ccccc1[C@H]([NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1)c1ccccc1 ZINC000180693572 821398615 /nfs/dbraw/zinc/39/86/15/821398615.db2.gz CHSPHEPDENEURO-GAJHUEQPSA-N 1 0 385.471 4.111 20 0 GIADRO Cc1ccc(SCC(F)(F)F)c(NC(=O)N(CC[NH+](C)C)C(C)C)c1 ZINC000180695698 821399533 /nfs/dbraw/zinc/39/95/33/821399533.db2.gz ZMVQTCSGGNWAJG-UHFFFAOYSA-N 1 0 377.476 4.453 20 0 GIADRO CC[NH+]1CCC(NC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)CC1 ZINC000043386428 821399602 /nfs/dbraw/zinc/39/96/02/821399602.db2.gz FMPXBKKRHVYASB-UHFFFAOYSA-N 1 0 394.235 4.074 20 0 GIADRO CCOc1cccc([C@H](C)[NH2+]CC(=O)N(CC)c2nc3ccccc3s2)c1 ZINC000180705095 821406545 /nfs/dbraw/zinc/40/65/45/821406545.db2.gz DKHXEJVKDKONJL-HNNXBMFYSA-N 1 0 383.517 4.399 20 0 GIADRO COc1ccc(C[N@@H+]2CCCN(C(=O)Nc3cccc(Cl)c3F)CC2)cc1 ZINC000043450318 821408780 /nfs/dbraw/zinc/40/87/80/821408780.db2.gz PYNCWPHRUVBLLP-UHFFFAOYSA-N 1 0 391.874 4.228 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@H](C)[N@H+](C)CCCNC(=O)C(F)(F)F ZINC000180713159 821412083 /nfs/dbraw/zinc/41/20/83/821412083.db2.gz MVLZNGDZOVPGIE-ZDUSSCGKSA-N 1 0 385.455 4.180 20 0 GIADRO CCOc1cccc([C@@H](C)[NH2+]CC(=O)N[C@@H](c2ccc(OC)cc2)C2CC2)c1 ZINC000180715886 821414111 /nfs/dbraw/zinc/41/41/11/821414111.db2.gz YIKQHIQJSHTXSK-WAIKUNEKSA-N 1 0 382.504 4.012 20 0 GIADRO COc1ccc([C@H]([NH2+]Cc2ccccc2CS(C)(=O)=O)c2ccccc2)cc1 ZINC000180715895 821414220 /nfs/dbraw/zinc/41/42/20/821414220.db2.gz RMEAKUKULRPPKO-HSZRJFAPSA-N 1 0 395.524 4.119 20 0 GIADRO O=C(Nc1ccccc1N1CCCC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000043486075 821414301 /nfs/dbraw/zinc/41/43/01/821414301.db2.gz DCVNNXZWTMSTKQ-UHFFFAOYSA-N 1 0 378.520 4.073 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCOc2ccc(F)cc21)c1ccc(OCc2nccn2C)cc1 ZINC000180717714 821415656 /nfs/dbraw/zinc/41/56/56/821415656.db2.gz SOEXYLDTKSFGCM-MGPUTAFESA-N 1 0 381.451 4.313 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N(C)Cc1ccc(Cl)cc1 ZINC000043490218 821415992 /nfs/dbraw/zinc/41/59/92/821415992.db2.gz UHGYSDVYAFYHJD-UHFFFAOYSA-N 1 0 386.927 4.064 20 0 GIADRO CCOc1ccc([C@H](C)NC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)cc1 ZINC000043490671 821416091 /nfs/dbraw/zinc/41/60/91/821416091.db2.gz RCGMQQIZPOIHNB-SFHVURJKSA-N 1 0 396.535 4.028 20 0 GIADRO Cc1noc(C)c1CCC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000043506136 821420150 /nfs/dbraw/zinc/42/01/50/821420150.db2.gz TXGUTRBTMHBJKR-UHFFFAOYSA-N 1 0 391.515 4.269 20 0 GIADRO C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]CC1(N2CCCCC2)CCOCC1 ZINC000180738118 821425789 /nfs/dbraw/zinc/42/57/89/821425789.db2.gz DWDCGSKYDOXZKA-GOSISDBHSA-N 1 0 396.522 4.234 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)N(C)Cc2ccccc2Cl)CC1 ZINC000043574974 821429176 /nfs/dbraw/zinc/42/91/76/821429176.db2.gz AZAHIAQKSNWISM-UHFFFAOYSA-N 1 0 386.927 4.146 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)N2CCC[C@@H]2c2cccs2)CC1 ZINC000043586176 821429828 /nfs/dbraw/zinc/42/98/28/821429828.db2.gz UMLBMPSSAYNUEJ-LJQANCHMSA-N 1 0 384.549 4.259 20 0 GIADRO CC(C)[NH+]1CCC(NC(=O)Nc2ncc(Cc3ccccc3Cl)s2)CC1 ZINC000043602568 821430383 /nfs/dbraw/zinc/43/03/83/821430383.db2.gz UGNXMJJMZJCWSJ-UHFFFAOYSA-N 1 0 392.956 4.382 20 0 GIADRO CC(C)c1ccccc1OCC[NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000180758019 821437976 /nfs/dbraw/zinc/43/79/76/821437976.db2.gz OBFPAADSHOUNPB-OAHLLOKOSA-N 1 0 379.497 4.082 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1=O)c1cccc(-c2ccncc2)c1 ZINC000180771886 821446086 /nfs/dbraw/zinc/44/60/86/821446086.db2.gz YENBZBDIXNSAOK-HRAATJIYSA-N 1 0 375.447 4.344 20 0 GIADRO COc1ccc([C@@H]([NH2+]C[C@]2(CCO)CCOC2)c2ccc(Cl)cc2)cc1C ZINC000180776699 821450438 /nfs/dbraw/zinc/45/04/38/821450438.db2.gz JEKBPADGSJWCPK-VXKWHMMOSA-N 1 0 389.923 4.125 20 0 GIADRO O=C(C1CCCC1)N1CC[C@@H]([NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000180781105 821453710 /nfs/dbraw/zinc/45/37/10/821453710.db2.gz PUPKUQBNUCGCDF-OAQYLSRUSA-N 1 0 384.470 4.435 20 0 GIADRO CSc1ccc([C@@H](C)NC(=O)Nc2ccccc2N2CC[NH+](C)CC2)cc1 ZINC000043799047 821459852 /nfs/dbraw/zinc/45/98/52/821459852.db2.gz GXKQVFXSIMSODK-MRXNPFEDSA-N 1 0 384.549 4.043 20 0 GIADRO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CCNC(=O)c1c(F)cccc1F ZINC000180790436 821460215 /nfs/dbraw/zinc/46/02/15/821460215.db2.gz LHNQRZLARQFQDS-LLVKDONJSA-N 1 0 381.492 4.108 20 0 GIADRO CC(C)[C@H](NC(=O)Nc1ccccc1N1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000043800414 821460663 /nfs/dbraw/zinc/46/06/63/821460663.db2.gz GDKBLPMPHWUELJ-NRFANRHFSA-N 1 0 384.499 4.096 20 0 GIADRO CCOC(=O)c1ccc(CN[C@H](c2ccc(F)cc2)c2ccc(OC)cc2)o1 ZINC000180796252 821462889 /nfs/dbraw/zinc/46/28/89/821462889.db2.gz SRGXBKVFOZUUNO-OAQYLSRUSA-N 1 0 383.419 4.483 20 0 GIADRO C[C@@H](C[C@@H](O)c1ccc(F)cc1)[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000180799259 821464619 /nfs/dbraw/zinc/46/46/19/821464619.db2.gz NNLVDBFRRNXUAN-VKDMSYRKSA-N 1 0 380.504 4.063 20 0 GIADRO Fc1ccc(-n2cc(C[N@@H+]3CCC[C@H](n4ccc(C(F)(F)F)n4)C3)cn2)cc1 ZINC000180800384 821465445 /nfs/dbraw/zinc/46/54/45/821465445.db2.gz MUHFDRLKFAEMNT-KRWDZBQOSA-N 1 0 393.388 4.064 20 0 GIADRO CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+][C@H](c2cccc(C)c2)C(C)(C)C)cc1 ZINC000180801040 821466212 /nfs/dbraw/zinc/46/62/12/821466212.db2.gz YNFIOSGIXTUQCO-RBBKRZOGSA-N 1 0 384.520 4.070 20 0 GIADRO Cc1cnc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C2CC2)s1 ZINC000180803415 821467573 /nfs/dbraw/zinc/46/75/73/821467573.db2.gz MYKPSLOYFZNNSI-NPYXIHBLSA-N 1 0 377.554 4.423 20 0 GIADRO COc1cc([C@H](C)[NH2+]CCCOc2cccc3cccnc32)cc(OC)c1OC ZINC000180804542 821467579 /nfs/dbraw/zinc/46/75/79/821467579.db2.gz CXMPNJCNCISVKS-INIZCTEOSA-N 1 0 396.487 4.380 20 0 GIADRO Fc1ccccc1-c1n[nH]cc1C[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000180804808 821468229 /nfs/dbraw/zinc/46/82/29/821468229.db2.gz FESWPBVCOLFTOJ-CQSZACIVSA-N 1 0 393.388 4.268 20 0 GIADRO Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+]CCS(=O)(=O)C(C)(C)C ZINC000180806442 821468885 /nfs/dbraw/zinc/46/88/85/821468885.db2.gz SFOMITLDRUGGQH-LBPRGKRZSA-N 1 0 384.542 4.122 20 0 GIADRO CC(C)(C)S(=O)(=O)CC[NH2+][C@@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000180806523 821469618 /nfs/dbraw/zinc/46/96/18/821469618.db2.gz CTBWZWXQRLRFPP-OAHLLOKOSA-N 1 0 396.553 4.130 20 0 GIADRO Cc1csc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C2CC2)n1 ZINC000180811345 821473021 /nfs/dbraw/zinc/47/30/21/821473021.db2.gz UQAJXKDCKGXVHT-HMQMGEFJSA-N 1 0 377.554 4.423 20 0 GIADRO CCN1CC[C@H](NC(=O)N(C)Cc2ccco2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180814494 821475062 /nfs/dbraw/zinc/47/50/62/821475062.db2.gz OYQJYSSADUMJSI-ROUUACIJSA-N 1 0 379.863 4.049 20 0 GIADRO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)c1cccc(-n2cccn2)c1 ZINC000180815444 821475706 /nfs/dbraw/zinc/47/57/06/821475706.db2.gz JNUARGSDBRPJDH-TYGFWLQKSA-N 1 0 396.535 4.453 20 0 GIADRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](C)c1sc(-c2ccc(Cl)cc2)nc1C ZINC000180827569 821483775 /nfs/dbraw/zinc/48/37/75/821483775.db2.gz HWXOBWRUHZXOEH-VXGBXAGGSA-N 1 0 386.970 4.246 20 0 GIADRO C[NH+](C)CCCC1CCN(C(=O)Nc2ccccc2C(=O)OC(C)(C)C)CC1 ZINC000180831889 821485189 /nfs/dbraw/zinc/48/51/89/821485189.db2.gz KHOTUSJRYYSQHR-UHFFFAOYSA-N 1 0 389.540 4.228 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccc(Cl)cc1)c1ccc(-n2cccn2)cc1 ZINC000180836270 821487219 /nfs/dbraw/zinc/48/72/19/821487219.db2.gz AFSHQIFRTQJCSQ-CVEARBPZSA-N 1 0 382.895 4.054 20 0 GIADRO Oc1ccc(F)cc1C[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000180837828 821488038 /nfs/dbraw/zinc/48/80/38/821488038.db2.gz CJACZPLCBMRWHE-UHFFFAOYSA-N 1 0 393.300 4.048 20 0 GIADRO CC(C)[C@@H]([NH2+]C1CCC2(CC1)c1ccccc1NC2=O)c1nc(C2CC2)no1 ZINC000180854398 821496724 /nfs/dbraw/zinc/49/67/24/821496724.db2.gz BFDXFYNTXGKEIJ-GXPWMBGSSA-N 1 0 380.492 4.066 20 0 GIADRO CC(C)CC(=O)Nc1ccc(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000044031631 821507999 /nfs/dbraw/zinc/50/79/99/821507999.db2.gz QTYFZYFZCKKCEY-IBGZPJMESA-N 1 0 398.507 4.223 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(NC(C)=O)c(C)c1)Cc1ccccc1 ZINC000044046939 821510725 /nfs/dbraw/zinc/51/07/25/821510725.db2.gz POHVZVYHNFHABS-OAQYLSRUSA-N 1 0 396.535 4.028 20 0 GIADRO CNC(=O)c1ccc(C[N@@H+]2CCc3sc(-c4csc(C)n4)cc3C2)cc1 ZINC000180882644 821511206 /nfs/dbraw/zinc/51/12/06/821511206.db2.gz IYNXOYSQAXDSNU-UHFFFAOYSA-N 1 0 383.542 4.098 20 0 GIADRO Cc1ccc(NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1OC(F)F ZINC000180883645 821511976 /nfs/dbraw/zinc/51/19/76/821511976.db2.gz ZBVGZZNVVPSTTF-UHFFFAOYSA-N 1 0 390.434 4.030 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1cc(NC(C)=O)ccc1F)c1ccsc1 ZINC000044077061 821516843 /nfs/dbraw/zinc/51/68/43/821516843.db2.gz MBJVMWVEBOUALX-SFHVURJKSA-N 1 0 392.500 4.050 20 0 GIADRO OC1CC[NH+](Cc2ccc(CNCc3ccc(Oc4ccccc4)o3)cc2)CC1 ZINC000180891207 821518129 /nfs/dbraw/zinc/51/81/29/821518129.db2.gz HMULHIQFHJHCFV-UHFFFAOYSA-N 1 0 392.499 4.318 20 0 GIADRO COc1ccc(C[NH2+]Cc2ccc(OC(C)(C)C)nc2)cc1Br ZINC000180892368 821519435 /nfs/dbraw/zinc/51/94/35/821519435.db2.gz TZKJYQBDRYOTSO-UHFFFAOYSA-N 1 0 379.298 4.320 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=S)Nc1cccc(Br)c1 ZINC000044098626 821522814 /nfs/dbraw/zinc/52/28/14/821522814.db2.gz NZKOEGIOARKDKP-CQSZACIVSA-N 1 0 384.387 4.390 20 0 GIADRO C[C@@](O)(C[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(F)cc1F ZINC000180898818 821523157 /nfs/dbraw/zinc/52/31/57/821523157.db2.gz BKERBZVDNYRFOQ-OAQYLSRUSA-N 1 0 394.893 4.080 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1)C(=O)NCCc1cccs1 ZINC000180899958 821524241 /nfs/dbraw/zinc/52/42/41/821524241.db2.gz MAMZJNNZQAEUTE-DLBZAZTESA-N 1 0 379.529 4.208 20 0 GIADRO CC(C)n1nccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000180905462 821528389 /nfs/dbraw/zinc/52/83/89/821528389.db2.gz CYPRQKJNEWQNTC-DLBZAZTESA-N 1 0 377.492 4.204 20 0 GIADRO COC(=O)COc1cccc(C[NH2+][C@@H]2CCSc3ccc(Cl)cc32)c1 ZINC000180911261 821532582 /nfs/dbraw/zinc/53/25/82/821532582.db2.gz NPVOVLFDDIZTFB-QGZVFWFLSA-N 1 0 377.893 4.219 20 0 GIADRO CC[C@H]([NH2+][C@H]1CCN(Cc2ccc(OC)cc2)C1=O)c1ccc(Cl)s1 ZINC000180915973 821535456 /nfs/dbraw/zinc/53/54/56/821535456.db2.gz DZRDVSOYWZUAIV-HOTGVXAUSA-N 1 0 378.925 4.252 20 0 GIADRO COc1ccc(CN2CC[C@@H]([NH2+][C@H](C)c3ccc(SC)c(F)c3)C2=O)cc1 ZINC000180917441 821536734 /nfs/dbraw/zinc/53/67/34/821536734.db2.gz YEAPYDIPRBJOGJ-AUUYWEPGSA-N 1 0 388.508 4.008 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1CNC(=S)Nc1ccc(F)cc1F ZINC000044158486 821538254 /nfs/dbraw/zinc/53/82/54/821538254.db2.gz CQVXPDLUUDMBNH-UHFFFAOYSA-N 1 0 393.503 4.172 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1CNC(=S)Nc1ccccc1F ZINC000044158484 821538378 /nfs/dbraw/zinc/53/83/78/821538378.db2.gz FPULVNQYSFZHHX-UHFFFAOYSA-N 1 0 375.513 4.033 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1)C(=O)Nc1cccnc1Cl ZINC000180925907 821542121 /nfs/dbraw/zinc/54/21/21/821542121.db2.gz KVLYCZSZRZRIOP-LSDHHAIUSA-N 1 0 380.879 4.475 20 0 GIADRO CCOc1ccc(NC(=S)NC2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000044220669 821549211 /nfs/dbraw/zinc/54/92/11/821549211.db2.gz SPTSZOISLWNTHW-UHFFFAOYSA-N 1 0 383.561 4.345 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=S)Nc2ccc(F)cc2F)CC1 ZINC000044220704 821549272 /nfs/dbraw/zinc/54/92/72/821549272.db2.gz DWMSHCYCTVATKQ-UHFFFAOYSA-N 1 0 375.488 4.224 20 0 GIADRO Clc1ccccc1[C@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1ccc2c(c1)OCCO2 ZINC000180949285 821552361 /nfs/dbraw/zinc/55/23/61/821552361.db2.gz YSCNBDWEWMOVPF-KSFYIVLOSA-N 1 0 395.890 4.071 20 0 GIADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)N(Cc1ccccc1C(F)(F)F)C1CC1 ZINC000044251677 821555313 /nfs/dbraw/zinc/55/53/13/821555313.db2.gz SGEJFPIOMJEQDT-MRXNPFEDSA-N 1 0 385.499 4.029 20 0 GIADRO CC(C)[C@@H](NC(=O)Nc1cccc(C[NH+](C)C)c1)c1ccc2c(c1)OCCO2 ZINC000044277513 821558253 /nfs/dbraw/zinc/55/82/53/821558253.db2.gz HTLSKBAEZNLEPM-OAQYLSRUSA-N 1 0 383.492 4.038 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]Cc2ccccc2OC2CCC2)c1 ZINC000180973453 821566252 /nfs/dbraw/zinc/56/62/52/821566252.db2.gz VPDBHVWSGNXNTI-INIZCTEOSA-N 1 0 398.503 4.142 20 0 GIADRO O=C(Nc1cccc(OCC(F)(F)F)c1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000044310378 821567225 /nfs/dbraw/zinc/56/72/25/821567225.db2.gz OKFHETBOUVJLIM-KRWDZBQOSA-N 1 0 393.409 4.024 20 0 GIADRO CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000180979970 821570789 /nfs/dbraw/zinc/57/07/89/821570789.db2.gz ZBJCGQJGGNQCII-NJSLBKSFSA-N 1 0 381.925 4.170 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)C1(c2ccc(F)cc2)CC1 ZINC000044339685 821573343 /nfs/dbraw/zinc/57/33/43/821573343.db2.gz FJSIIXLPTRWUIN-UHFFFAOYSA-N 1 0 386.898 4.292 20 0 GIADRO O=C(Nc1ccccc1N1CCc2ccccc21)N1CCN(c2cc[nH+]cc2)CC1 ZINC000044348718 821575187 /nfs/dbraw/zinc/57/51/87/821575187.db2.gz BBMJZSYHULCOHI-UHFFFAOYSA-N 1 0 399.498 4.130 20 0 GIADRO CCn1c2ccccc2nc1[C@@H](C)[NH2+][C@H](C)CC(=O)Nc1ccc(OC)cc1 ZINC000180993962 821581103 /nfs/dbraw/zinc/58/11/03/821581103.db2.gz XDTQQOWEKYZNAE-HZPDHXFCSA-N 1 0 380.492 4.133 20 0 GIADRO c1sc(CC[NH2+][C@@H]2CCCN(Cc3ccccc3)C2)nc1-c1ccccn1 ZINC000181008500 821590329 /nfs/dbraw/zinc/59/03/29/821590329.db2.gz LATVXMZVJLUETO-LJQANCHMSA-N 1 0 378.545 4.002 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(Cn2cccn2)c1)c1cc(Br)ccc1O ZINC000181012975 821593330 /nfs/dbraw/zinc/59/33/30/821593330.db2.gz CVPGNUMQNBMHID-CQSZACIVSA-N 1 0 386.293 4.250 20 0 GIADRO Cc1cccn2cc(C[NH2+][C@H](C)CC(=O)Nc3ccccc3C(F)(F)F)nc12 ZINC000181012843 821593344 /nfs/dbraw/zinc/59/33/44/821593344.db2.gz XHIPXOXOZAEGOV-CQSZACIVSA-N 1 0 390.409 4.168 20 0 GIADRO c1sc(CC[NH2+]C2CCN(Cc3ccncc3)CC2)nc1C1CCCCC1 ZINC000181016317 821595300 /nfs/dbraw/zinc/59/53/00/821595300.db2.gz BNDHVQOZDQIRRQ-UHFFFAOYSA-N 1 0 384.593 4.383 20 0 GIADRO O=S1(=O)CCC(C[NH2+][C@@H](c2ccccc2Cl)c2cc(F)ccc2F)CC1 ZINC000181024108 821598981 /nfs/dbraw/zinc/59/89/81/821598981.db2.gz JISZUWDEGKPWPX-IBGZPJMESA-N 1 0 399.890 4.122 20 0 GIADRO CC(C)[C@@H](CSc1ccccc1)[NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000181028136 821600542 /nfs/dbraw/zinc/60/05/42/821600542.db2.gz QSWHQPFCMDVAST-RBBKRZOGSA-N 1 0 382.573 4.442 20 0 GIADRO Cc1nc(CSc2ccccc2C(=O)NCC[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000044533365 821600958 /nfs/dbraw/zinc/60/09/58/821600958.db2.gz CQJFFZMFQBJLOT-OAHLLOKOSA-N 1 0 389.590 4.206 20 0 GIADRO COc1cc([C@@H](C)[NH2+]CCCNC(=O)c2occc2C)ccc1SC(F)F ZINC000181075538 821620357 /nfs/dbraw/zinc/62/03/57/821620357.db2.gz FVPDFCXUNGCLRZ-CYBMUJFWSA-N 1 0 398.475 4.382 20 0 GIADRO Cc1ccoc1C(=O)NCCC[NH2+][C@H](C)c1cc(Cl)ccc1OC(F)F ZINC000181075907 821620651 /nfs/dbraw/zinc/62/06/51/821620651.db2.gz YSNSCLCYKAXUON-GFCCVEGCSA-N 1 0 386.826 4.314 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3c[nH]c4cc(F)ccc34)c(C)c2)CC1 ZINC000181078861 821621937 /nfs/dbraw/zinc/62/19/37/821621937.db2.gz GOMPGORVPJAPOI-UHFFFAOYSA-N 1 0 380.467 4.010 20 0 GIADRO CC[C@@H]([NH2+][C@H](C)CC(=O)Nc1cc(OC)ccc1OC)c1cc(F)ccc1F ZINC000181102672 821633625 /nfs/dbraw/zinc/63/36/25/821633625.db2.gz ULMMPGZRNOMDTM-FZKQIMNGSA-N 1 0 392.446 4.440 20 0 GIADRO C[C@H](CNC(=O)Nc1ccc2[nH]c(C(F)F)nc2c1)[N@H+](C)Cc1ccccc1 ZINC000181106333 821635854 /nfs/dbraw/zinc/63/58/54/821635854.db2.gz NHAHDGYKMOZMMR-CYBMUJFWSA-N 1 0 387.434 4.143 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+]C[C@@H](O)c2c(Cl)cccc2Cl)s1 ZINC000181108234 821638142 /nfs/dbraw/zinc/63/81/42/821638142.db2.gz QQUXXTNWEIQZAW-QMTHXVAHSA-N 1 0 389.348 4.331 20 0 GIADRO C[N@H+](CCCn1ccnc1)Cc1csc(-c2ccc(Br)cc2)n1 ZINC000181108213 821638160 /nfs/dbraw/zinc/63/81/60/821638160.db2.gz KJLZJXPIQIPKFW-UHFFFAOYSA-N 1 0 391.338 4.291 20 0 GIADRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC000181108821 821638248 /nfs/dbraw/zinc/63/82/48/821638248.db2.gz LAJRVXCKEAPDBT-SFHVURJKSA-N 1 0 399.445 4.459 20 0 GIADRO Cn1cc(C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)c(-c2cccs2)n1 ZINC000181118701 821644229 /nfs/dbraw/zinc/64/42/29/821644229.db2.gz SMQCVZNBQZQFPN-UHFFFAOYSA-N 1 0 395.454 4.201 20 0 GIADRO FC(F)(F)c1ccn(C2CC[NH+](Cc3c[nH]nc3-c3ccccc3)CC2)n1 ZINC000181120441 821645454 /nfs/dbraw/zinc/64/54/54/821645454.db2.gz KTBHPNHFQSLQEK-UHFFFAOYSA-N 1 0 375.398 4.129 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)c1ccc(COC(C)C)cc1)[NH+]1CCCC1 ZINC000044718696 821649274 /nfs/dbraw/zinc/64/92/74/821649274.db2.gz IEZAWWMQCXVGMR-QFIPXVFZSA-N 1 0 396.531 4.187 20 0 GIADRO Brc1ccc2c(c1)[C@H]([NH2+]CCCOC1CCOCC1)CCS2 ZINC000181132844 821652741 /nfs/dbraw/zinc/65/27/41/821652741.db2.gz SALBKAOIQSBIPN-MRXNPFEDSA-N 1 0 386.355 4.161 20 0 GIADRO O=C(NC1CC[NH+](C2CC2)CC1)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000044775932 821659969 /nfs/dbraw/zinc/65/99/69/821659969.db2.gz UPUDYYXAWQRZDS-MSOLQXFVSA-N 1 0 381.545 4.089 20 0 GIADRO COc1cccc([C@H](CNC(=O)CCc2ccc(Cl)s2)[NH+]2CCCC2)c1 ZINC000044839387 821670797 /nfs/dbraw/zinc/67/07/97/821670797.db2.gz JHCAOPNZUBMNPI-SFHVURJKSA-N 1 0 392.952 4.296 20 0 GIADRO Cc1ccc([C@@H]([NH2+]C2CCSCC2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000181167239 821675267 /nfs/dbraw/zinc/67/52/67/821675267.db2.gz QVHIEYJPCVDQBH-NRFANRHFSA-N 1 0 389.586 4.282 20 0 GIADRO COc1ccc2oc(C)c(C(=O)NC[C@H](c3cccs3)[NH+]3CCCC3)c2c1 ZINC000044875278 821675468 /nfs/dbraw/zinc/67/54/68/821675468.db2.gz CDSKIUBQHRASIS-QGZVFWFLSA-N 1 0 384.501 4.378 20 0 GIADRO COc1ccc2oc(C)c(C(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3C)c2c1 ZINC000044876557 821675541 /nfs/dbraw/zinc/67/55/41/821675541.db2.gz WAUNWARKSOOACA-UHFFFAOYSA-N 1 0 393.487 4.062 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]C[C@@H](C)Oc2cccc(Cl)c2)cc1NC(C)=O ZINC000181173739 821678502 /nfs/dbraw/zinc/67/85/02/821678502.db2.gz WBGJIXSXPWDQTP-ZIAGYGMSSA-N 1 0 376.884 4.425 20 0 GIADRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@H](C)Oc1ccccc1Cl ZINC000181181690 821681459 /nfs/dbraw/zinc/68/14/59/821681459.db2.gz YFYJSHDRMBSNBI-STQMWFEESA-N 1 0 382.291 4.163 20 0 GIADRO CC(C)CNC(=O)c1cccc(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)c1 ZINC000181189862 821686416 /nfs/dbraw/zinc/68/64/16/821686416.db2.gz GNXHTSKIJRJHHP-OFNKIYASSA-N 1 0 380.532 4.330 20 0 GIADRO CCN(CC)[C@H](C[NH2+][C@@H](C)c1cnc2cc(C)nn2c1C)c1cccc(OC)c1 ZINC000181192233 821687581 /nfs/dbraw/zinc/68/75/81/821687581.db2.gz FKWNEDQFGNHIRH-HTAPYJJXSA-N 1 0 395.551 4.088 20 0 GIADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000181193375 821688304 /nfs/dbraw/zinc/68/83/04/821688304.db2.gz ZIBRELJGLSZVQD-MNVSYLFESA-N 1 0 381.488 4.482 20 0 GIADRO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(C(=O)N3CCCC3)cc2)cc1OC ZINC000045004662 821689786 /nfs/dbraw/zinc/68/97/86/821689786.db2.gz ALNGGZGIYMAOME-OAQYLSRUSA-N 1 0 394.515 4.277 20 0 GIADRO COc1cc([C@@H](C)[NH2+]C[C@@H](OC)c2cccc(Cl)c2)cc(OC)c1OC ZINC000181197758 821692010 /nfs/dbraw/zinc/69/20/10/821692010.db2.gz KCFAZCPAODPRBC-BFUOFWGJSA-N 1 0 379.884 4.404 20 0 GIADRO CC[C@@H]([NH2+]C1CCN(C(=O)c2ccccc2F)CC1)c1cc(C)ccc1OC ZINC000181201243 821693408 /nfs/dbraw/zinc/69/34/08/821693408.db2.gz WHJCVTQANYUIBW-OAQYLSRUSA-N 1 0 384.495 4.488 20 0 GIADRO O=C(C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)N[C@@H](c1ccccc1)C1CC1 ZINC000181202450 821694099 /nfs/dbraw/zinc/69/40/99/821694099.db2.gz ZBNCNZREMXNEII-ANJVHQHFSA-N 1 0 378.516 4.011 20 0 GIADRO C[C@H](NC(=O)C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)c1ccccc1Cl ZINC000181232366 821709505 /nfs/dbraw/zinc/70/95/05/821709505.db2.gz GLALPALZHJVPEQ-XGHQBKJUSA-N 1 0 386.923 4.275 20 0 GIADRO Cc1c([C@H](C)[NH2+]Cc2ccc([S@](C)=O)cc2)cnn1-c1cccc(Cl)c1 ZINC000181245770 821716333 /nfs/dbraw/zinc/71/63/33/821716333.db2.gz FXPKKEOYZKDZRE-RXBISOJRSA-N 1 0 387.936 4.422 20 0 GIADRO C[S@](=O)c1ccc(C[NH2+][C@@H]2CCCOc3ccc(Br)cc32)cc1 ZINC000181245465 821716619 /nfs/dbraw/zinc/71/66/19/821716619.db2.gz PGELWOCWGPACNG-HXOBKFHXSA-N 1 0 394.334 4.190 20 0 GIADRO C[C@H]([NH2+][C@@H]1CC(C)(C)OC1(C)C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000181260949 821722341 /nfs/dbraw/zinc/72/23/41/821722341.db2.gz WAYLHPIXFFIRBJ-HNAYVOBHSA-N 1 0 379.566 4.400 20 0 GIADRO COc1c(Br)cccc1C[NH2+][C@H](C)c1cccc(NC(C)=O)c1 ZINC000181261681 821722884 /nfs/dbraw/zinc/72/28/84/821722884.db2.gz YPOMZCTVQRAPMO-GFCCVEGCSA-N 1 0 377.282 4.267 20 0 GIADRO CCOc1ccccc1[C@@H](CC(C)C)[NH2+]CC(=O)Nc1cccnc1Cl ZINC000181266887 821725038 /nfs/dbraw/zinc/72/50/38/821725038.db2.gz JWLZXJBBBPTEIN-QGZVFWFLSA-N 1 0 375.900 4.449 20 0 GIADRO CCc1cccc(CC)c1NC(=O)C[NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000181268905 821725659 /nfs/dbraw/zinc/72/56/59/821725659.db2.gz OHNAFTNGEKRFOV-MRXNPFEDSA-N 1 0 395.503 4.057 20 0 GIADRO C[C@@H]([NH2+]CCOc1ccc(F)cc1Cl)c1ccc(N2CCOC2=O)cc1 ZINC000181268426 821725724 /nfs/dbraw/zinc/72/57/24/821725724.db2.gz JEQOTZRKJYQJJM-CYBMUJFWSA-N 1 0 378.831 4.165 20 0 GIADRO Cc1nc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(-c3cccnc3)cc2)sc1C ZINC000181277080 821730175 /nfs/dbraw/zinc/73/01/75/821730175.db2.gz IDJAIMNUEJBCPZ-GJZGRUSLSA-N 1 0 380.517 4.500 20 0 GIADRO COc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCc1ccccc1OC(F)(F)F ZINC000181281426 821732295 /nfs/dbraw/zinc/73/22/95/821732295.db2.gz UVXDSCFQWYREBP-CQSZACIVSA-N 1 0 396.409 4.143 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc(-c2cccnc2)cc1)C(=O)NCc1ccccc1F ZINC000181290747 821737620 /nfs/dbraw/zinc/73/76/20/821737620.db2.gz NUMIUAQUVXYDGH-IAGOWNOFSA-N 1 0 377.463 4.243 20 0 GIADRO C[C@@H]([NH2+]CC(=O)NCCCOC1CCCCC1)c1ccc(-c2cccnc2)cc1 ZINC000181291202 821738593 /nfs/dbraw/zinc/73/85/93/821738593.db2.gz OGDUHAYSKKEXIG-LJQANCHMSA-N 1 0 395.547 4.255 20 0 GIADRO CC(C)n1nccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000181301350 821743187 /nfs/dbraw/zinc/74/31/87/821743187.db2.gz MMYVJTBZZXVQJU-IAGOWNOFSA-N 1 0 377.492 4.204 20 0 GIADRO Cc1sc(CC[NH2+][C@@H](C)CC(=O)N2CCCCCC2)nc1-c1ccccc1 ZINC000181306523 821746355 /nfs/dbraw/zinc/74/63/55/821746355.db2.gz MPZKKOGXBKSOQJ-KRWDZBQOSA-N 1 0 385.577 4.432 20 0 GIADRO COc1ccc(OC)c([C@H](C)[NH2+][C@H](C)c2c(C)nn(CC(F)(F)F)c2C)c1 ZINC000181308884 821747580 /nfs/dbraw/zinc/74/75/80/821747580.db2.gz UWAKFYZDZYRQNJ-NWDGAFQWSA-N 1 0 385.430 4.491 20 0 GIADRO COc1ccccc1[C@H](C)NC(=O)C[NH2+][C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000181312395 821750363 /nfs/dbraw/zinc/75/03/63/821750363.db2.gz VDJJGIKDLBCZKF-MSOLQXFVSA-N 1 0 389.499 4.285 20 0 GIADRO CCN1CC[NH+](CCCCNC(=O)c2ccc(-c3cccc(C(C)C)c3)o2)CC1 ZINC000181314250 821752527 /nfs/dbraw/zinc/75/25/27/821752527.db2.gz XBYWCITYZLNTDY-UHFFFAOYSA-N 1 0 397.563 4.218 20 0 GIADRO CC(C)c1ccccc1OC[C@@H](O)C[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000181338574 821769506 /nfs/dbraw/zinc/76/95/06/821769506.db2.gz JKQMHAVFNCMFQT-RXVVDRJESA-N 1 0 396.531 4.027 20 0 GIADRO COc1cc(OC)cc(OCC[NH2+][C@H](C)c2sc(-c3cccnc3)nc2C)c1 ZINC000181347580 821777573 /nfs/dbraw/zinc/77/75/73/821777573.db2.gz MGRJCIIPEHZKKW-CQSZACIVSA-N 1 0 399.516 4.260 20 0 GIADRO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)c(C)c1 ZINC000181354608 821782483 /nfs/dbraw/zinc/78/24/83/821782483.db2.gz YIUKCMYJQGMBHF-ROUUACIJSA-N 1 0 379.504 4.108 20 0 GIADRO O=c1nc(C[NH2+][C@H](CC2CCC2)c2ccccc2)[nH]c2sc3c(c21)CCC3 ZINC000181356303 821783824 /nfs/dbraw/zinc/78/38/24/821783824.db2.gz PRGUITWTIJACPY-QGZVFWFLSA-N 1 0 379.529 4.494 20 0 GIADRO Cc1ccc(C)c(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)c1 ZINC000181361084 821787261 /nfs/dbraw/zinc/78/72/61/821787261.db2.gz ZETQJLPELMWVHD-ZWKOTPCHSA-N 1 0 379.504 4.108 20 0 GIADRO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]Cc1nc(C2CC2)cs1 ZINC000181366488 821790348 /nfs/dbraw/zinc/79/03/48/821790348.db2.gz OPNFJLCYPGBWII-LLVKDONJSA-N 1 0 399.438 4.426 20 0 GIADRO COC(=O)c1cc2cc(C[NH2+][C@H](C)c3ccc(N4CCCC4=O)cc3)ccc2o1 ZINC000181377225 821794452 /nfs/dbraw/zinc/79/44/52/821794452.db2.gz KPTSQHMVCKCFDA-OAHLLOKOSA-N 1 0 392.455 4.197 20 0 GIADRO Cc1c(Cl)cccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000181382593 821797629 /nfs/dbraw/zinc/79/76/29/821797629.db2.gz NXTNZLNGSCOCEG-HZPDHXFCSA-N 1 0 399.922 4.453 20 0 GIADRO CCc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000181387657 821799854 /nfs/dbraw/zinc/79/98/54/821799854.db2.gz ZEKGAGDRYGSBQC-SJORKVTESA-N 1 0 379.504 4.054 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+]Cc2cncc(Br)c2)cc1OCC ZINC000181390722 821801338 /nfs/dbraw/zinc/80/13/38/821801338.db2.gz KARNDLSBLWILPR-CYBMUJFWSA-N 1 0 379.298 4.492 20 0 GIADRO C[C@H]([NH2+][C@@H](CO)c1cccc(Br)c1)c1ccc(OC(F)F)cc1 ZINC000181392971 821803098 /nfs/dbraw/zinc/80/30/98/821803098.db2.gz NINISGYDSTZMMT-ZBEGNZNMSA-N 1 0 386.236 4.435 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)s1 ZINC000181393538 821803919 /nfs/dbraw/zinc/80/39/19/821803919.db2.gz BTHULZLKRVWJBM-KGLIPLIRSA-N 1 0 389.521 4.009 20 0 GIADRO C[C@@H]([NH2+][C@@H](CO)c1cccc(Br)c1)c1cnc2ccsc2c1 ZINC000181393814 821804351 /nfs/dbraw/zinc/80/43/51/821804351.db2.gz GVHVPCXEPNLZPH-BZNIZROVSA-N 1 0 377.307 4.443 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+]Cc2cc(C(=O)OC)sc2C)cc1OCC ZINC000181397317 821806273 /nfs/dbraw/zinc/80/62/73/821806273.db2.gz HWEAPZAPAVPBKE-ZDUSSCGKSA-N 1 0 377.506 4.491 20 0 GIADRO CCc1nc2c(s1)[C@H]([NH2+][C@H](CO)c1cccc(Br)c1)CCC2 ZINC000181401151 821807605 /nfs/dbraw/zinc/80/76/05/821807605.db2.gz PGYGDZLOHVSEOX-UKRRQHHQSA-N 1 0 381.339 4.169 20 0 GIADRO Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181403955 821808707 /nfs/dbraw/zinc/80/87/07/821808707.db2.gz WFPMFQCEUIQMAS-OAHLLOKOSA-N 1 0 385.895 4.065 20 0 GIADRO Cc1nc(C)c([C@@H](C)[NH2+]C[C@H](CO)Cc2ccc(OC(F)(F)F)cc2)s1 ZINC000181407388 821809826 /nfs/dbraw/zinc/80/98/26/821809826.db2.gz KCWASDBZVCAFFR-IAQYHMDHSA-N 1 0 388.455 4.160 20 0 GIADRO Cc1nc(C)c([C@@H](C)[NH2+]C[C@@H](CO)Cc2ccc(OC(F)(F)F)cc2)s1 ZINC000181407428 821809842 /nfs/dbraw/zinc/80/98/42/821809842.db2.gz KCWASDBZVCAFFR-ABAIWWIYSA-N 1 0 388.455 4.160 20 0 GIADRO C[C@H](NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1nc(-c2ccccc2)cs1 ZINC000181414099 821813033 /nfs/dbraw/zinc/81/30/33/821813033.db2.gz GXQFELKUVAGCAM-NDXORKPFSA-N 1 0 385.577 4.229 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1)C(=O)Nc1ccccc1Cl ZINC000181417711 821815621 /nfs/dbraw/zinc/81/56/21/821815621.db2.gz OWYLBNCSLZFWJB-GJZGRUSLSA-N 1 0 385.895 4.145 20 0 GIADRO COCCC[C@@H]([NH2+][C@H](C)Cc1cc(C)n[nH]1)c1ccc(Br)cc1 ZINC000181422682 821818729 /nfs/dbraw/zinc/81/87/29/821818729.db2.gz BUSVJZQZDVRBTN-FZKQIMNGSA-N 1 0 380.330 4.169 20 0 GIADRO COc1cccc2cc([C@@H](C)[NH2+]C[C@H](c3ccc(C)o3)N3CCOCC3)oc21 ZINC000181424246 821819729 /nfs/dbraw/zinc/81/97/29/821819729.db2.gz NPIOWRXIMOQOBA-SJLPKXTDSA-N 1 0 384.476 4.067 20 0 GIADRO CCN(CC)C(=O)CCC1CC[NH+](Cn2ccc(-c3ccc(F)cc3)n2)CC1 ZINC000181424979 821820317 /nfs/dbraw/zinc/82/03/17/821820317.db2.gz DFMNEFLYVKRKPJ-UHFFFAOYSA-N 1 0 386.515 4.007 20 0 GIADRO Cc1ccc(-c2nc(CC(=O)N[C@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)cs2)o1 ZINC000181431975 821823376 /nfs/dbraw/zinc/82/33/76/821823376.db2.gz KWSDICZBSPQIDC-CVEARBPZSA-N 1 0 387.549 4.023 20 0 GIADRO Cc1sc(NC(=O)C[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)c(C)c1C ZINC000181439876 821827404 /nfs/dbraw/zinc/82/74/04/821827404.db2.gz GOGZZDBIEVRHBJ-OAHLLOKOSA-N 1 0 385.533 4.089 20 0 GIADRO C[C@@H](NC(=O)c1cccc(OCc2cccnc2)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181445913 821829249 /nfs/dbraw/zinc/82/92/49/821829249.db2.gz UNKHAXJRWFGFMI-NQIIRXRSSA-N 1 0 393.531 4.043 20 0 GIADRO C[C@H](NC(=O)[C@H](C)[N@H+](C)CCc1ccncc1)c1ccc(Cl)cc1Cl ZINC000181451973 821832002 /nfs/dbraw/zinc/83/20/02/821832002.db2.gz RBTQTTYBIIHDAG-KBPBESRZSA-N 1 0 380.319 4.129 20 0 GIADRO CC[NH+](CC)CCCC1CCN(Cn2nc(C3CC3)n(C3CC3)c2=S)CC1 ZINC000181456297 821834265 /nfs/dbraw/zinc/83/42/65/821834265.db2.gz VBGAAJGWCJHNEP-UHFFFAOYSA-N 1 0 391.629 4.418 20 0 GIADRO Cc1ccc(-c2cnc(CCC(=O)N[C@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)o2)cc1 ZINC000181459272 821836028 /nfs/dbraw/zinc/83/60/28/821836028.db2.gz PDTONNBMSOKMAD-QUCCMNQESA-N 1 0 395.547 4.352 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)C[NH2+]C2(c3cccc(Cl)c3)CCCC2)cc1 ZINC000181461329 821837009 /nfs/dbraw/zinc/83/70/09/821837009.db2.gz NTRIMXGNHOTTNC-UHFFFAOYSA-N 1 0 385.895 4.296 20 0 GIADRO CCCOc1ccc(C(F)(F)F)cc1NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000181464966 821838993 /nfs/dbraw/zinc/83/89/93/821838993.db2.gz JTADMTBUZLHSCA-HNNXBMFYSA-N 1 0 399.457 4.444 20 0 GIADRO CS[C@@H]1CCC[C@H](NC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000181502085 821856237 /nfs/dbraw/zinc/85/62/37/821856237.db2.gz RZMHJRNRHSXOAG-AZUAARDMSA-N 1 0 390.597 4.004 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)COC(c1ccccc1)c1ccccc1)c1cccc(O)c1 ZINC000181512675 821861421 /nfs/dbraw/zinc/86/14/21/821861421.db2.gz PQOAWYSPQOUMGP-FDDCHVKYSA-N 1 0 377.484 4.210 20 0 GIADRO Cc1noc2nc(C(C)C)cc(C(=O)N[C@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)c12 ZINC000181517783 821863771 /nfs/dbraw/zinc/86/37/71/821863771.db2.gz BIEWLFDADBNECH-GDBMZVCRSA-N 1 0 384.524 4.037 20 0 GIADRO Cc1cc(C)n(-c2ccc(C(=O)N[C@@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)cc2F)n1 ZINC000181530046 821868028 /nfs/dbraw/zinc/86/80/28/821868028.db2.gz ABTXQAVBPKWBGM-PKOBYXMFSA-N 1 0 398.526 4.011 20 0 GIADRO COc1cc(OC)c(OC)cc1C[NH+]1CCC(OCc2ccc(F)cc2)CC1 ZINC000181531056 821869138 /nfs/dbraw/zinc/86/91/38/821869138.db2.gz ULLGLNFZABALBN-UHFFFAOYSA-N 1 0 389.467 4.033 20 0 GIADRO C[C@H](NC(=O)C[C@@H](c1ccccc1)C(F)(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181537933 821872574 /nfs/dbraw/zinc/87/25/74/821872574.db2.gz FGAJTLDBPIASBU-IEZWGBDMSA-N 1 0 382.470 4.492 20 0 GIADRO C[C@H](c1ccccc1)[C@H](C)[NH2+]CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000181539654 821873445 /nfs/dbraw/zinc/87/34/45/821873445.db2.gz WLOIMFUROVSCJC-ZWOKBUDYSA-N 1 0 391.471 4.332 20 0 GIADRO COC1(C[NH2+][C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)CCOCC1 ZINC000181544041 821874793 /nfs/dbraw/zinc/87/47/93/821874793.db2.gz AODYKWYIUXMOQN-INIZCTEOSA-N 1 0 376.497 4.112 20 0 GIADRO Cc1c(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cnn1-c1cc(C)ccc1C ZINC000181549120 821877098 /nfs/dbraw/zinc/87/70/98/821877098.db2.gz POAICJKSLKQRQO-QUCCMNQESA-N 1 0 394.563 4.180 20 0 GIADRO COc1cc([C@@H](C)[NH2+]C[C@H](c2ccccc2)C(C)(C)CO)cc(OC)c1OC ZINC000181556450 821879942 /nfs/dbraw/zinc/87/99/42/821879942.db2.gz YQHFJPUCSYCFIH-VQIMIIECSA-N 1 0 387.520 4.165 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1)c1cccc(O)c1 ZINC000181556347 821880296 /nfs/dbraw/zinc/88/02/96/821880296.db2.gz XSRQRRAYCWQDJH-CQSZACIVSA-N 1 0 392.421 4.253 20 0 GIADRO COC(=O)c1ccc(C[NH2+][C@H](C)c2ccc(OCC3CC3)c(F)c2)cc1F ZINC000181574201 821885061 /nfs/dbraw/zinc/88/50/61/821885061.db2.gz NTQSWHJDWGDTSM-CYBMUJFWSA-N 1 0 375.415 4.391 20 0 GIADRO C[N@@H+]1CCCN(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)nc2)CC1 ZINC000181589059 821892193 /nfs/dbraw/zinc/89/21/93/821892193.db2.gz UGFRWDNCSDNVDZ-UHFFFAOYSA-N 1 0 394.397 4.062 20 0 GIADRO CC[C@@H]([NH2+]C1CCN([C@@H](C)c2ccncc2)CC1)c1ccc2c(c1)OCCO2 ZINC000181590135 821893245 /nfs/dbraw/zinc/89/32/45/821893245.db2.gz HOVKYBQAHBHSPS-LAUBAEHRSA-N 1 0 381.520 4.119 20 0 GIADRO COCc1cc([C@@H](C)[NH2+]C2CCN([C@@H](C)c3ccncc3)CC2)ccc1OC ZINC000181592014 821894240 /nfs/dbraw/zinc/89/42/40/821894240.db2.gz RBRPWFMCMYLEBH-MSOLQXFVSA-N 1 0 383.536 4.113 20 0 GIADRO Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@H](Cc1ccccc1Cl)c1ccccc1 ZINC000181597012 821896518 /nfs/dbraw/zinc/89/65/18/821896518.db2.gz GEZVCYDFMFNWAA-LJQANCHMSA-N 1 0 382.895 4.192 20 0 GIADRO COCCCOc1cccc(C[NH2+][C@H](C)c2ccc(NC(=O)NC3CC3)cc2)c1 ZINC000181602652 821898515 /nfs/dbraw/zinc/89/85/15/821898515.db2.gz WKVGJUQRDGPUJU-QGZVFWFLSA-N 1 0 397.519 4.237 20 0 GIADRO Cc1noc(C)c1[C@@H](C)C[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000181627353 821911285 /nfs/dbraw/zinc/91/12/85/821911285.db2.gz KIWDDLOZDRVVER-RYUDHWBXSA-N 1 0 394.313 4.164 20 0 GIADRO C[C@H](NC(=O)c1cc(Cl)ccc1OC(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181635239 821915041 /nfs/dbraw/zinc/91/50/41/821915041.db2.gz QAHIQHLRKFCIKM-QWHCGFSZSA-N 1 0 386.870 4.324 20 0 GIADRO C[C@H](NC(=O)C1(c2ccc(F)cc2F)CCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181635917 821915642 /nfs/dbraw/zinc/91/56/42/821915642.db2.gz JHGNYKBUOBDWSO-HOTGVXAUSA-N 1 0 376.491 4.156 20 0 GIADRO C[C@@H](NC(=O)c1ncoc1-c1ccccc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181638516 821917016 /nfs/dbraw/zinc/91/70/16/821917016.db2.gz YBAFXNYILNXQDN-CABCVRRESA-N 1 0 387.911 4.378 20 0 GIADRO C[C@H](NC(=O)CSc1nc2ccccc2s1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181639909 821918407 /nfs/dbraw/zinc/91/84/07/821918407.db2.gz YBWIOFFTIQCUFF-GJZGRUSLSA-N 1 0 389.590 4.158 20 0 GIADRO C[C@H](NC(=O)c1cc(Cl)ccc1Br)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181640326 821918426 /nfs/dbraw/zinc/91/84/26/821918426.db2.gz LHBZKCZTHWGXFL-QWHCGFSZSA-N 1 0 399.760 4.485 20 0 GIADRO Brc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@@H]2CCOC2)CCC3)cc1 ZINC000181656325 821926218 /nfs/dbraw/zinc/92/62/18/821926218.db2.gz GMFRQUWPEIHHNM-ZIAGYGMSSA-N 1 0 379.323 4.329 20 0 GIADRO Brc1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@H]2CCOC2)CCC3)cc1 ZINC000181656385 821926305 /nfs/dbraw/zinc/92/63/05/821926305.db2.gz GMFRQUWPEIHHNM-KBPBESRZSA-N 1 0 379.323 4.329 20 0 GIADRO CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000181662658 821930016 /nfs/dbraw/zinc/93/00/16/821930016.db2.gz PAUCMOGTQMITAW-QAPCUYQASA-N 1 0 379.522 4.205 20 0 GIADRO CC[C@@H](CSc1ccccc1)[NH2+][C@@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000181667329 821933431 /nfs/dbraw/zinc/93/34/31/821933431.db2.gz LIZCTYUJQNTNIF-RDJZCZTQSA-N 1 0 378.563 4.280 20 0 GIADRO CN(C)C(=O)N1CCC([NH2+]C[C@@H]2CC3c4ccccc4C2c2ccccc23)CC1 ZINC000181670996 821936479 /nfs/dbraw/zinc/93/64/79/821936479.db2.gz MHRZNNSMMHGITR-XWFFHEKESA-N 1 0 389.543 4.019 20 0 GIADRO C[C@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000181681296 821941281 /nfs/dbraw/zinc/94/12/81/821941281.db2.gz WWYDOHZFVOLSQA-UONOGXRCSA-N 1 0 398.981 4.001 20 0 GIADRO C[C@@H]([NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)[C@@H]1COc2ccccc21 ZINC000181722714 821961384 /nfs/dbraw/zinc/96/13/84/821961384.db2.gz HXSMSPJGRFOFDZ-BEFAXECRSA-N 1 0 384.907 4.099 20 0 GIADRO C[C@@H]([NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)[C@H]1COc2ccccc21 ZINC000181722745 821961404 /nfs/dbraw/zinc/96/14/04/821961404.db2.gz HXSMSPJGRFOFDZ-DNVCBOLYSA-N 1 0 384.907 4.099 20 0 GIADRO C[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1ccc(OCC#N)cc1 ZINC000181729946 821965048 /nfs/dbraw/zinc/96/50/48/821965048.db2.gz BYCAFSTVYFJNEU-YADARESESA-N 1 0 399.494 4.490 20 0 GIADRO CCC(CC)[C@@H]1C[C@@H](NC(=O)Nc2ccc(C)cc2OCC[NH+](C)C)CCO1 ZINC000181739707 821970635 /nfs/dbraw/zinc/97/06/35/821970635.db2.gz SMNMHVVRAABYPN-ICSRJNTNSA-N 1 0 391.556 4.041 20 0 GIADRO CCC(CC)[C@H]1C[C@@H](NC(=O)Nc2ccc(C)cc2OCC[NH+](C)C)CCO1 ZINC000181739725 821970823 /nfs/dbraw/zinc/97/08/23/821970823.db2.gz SMNMHVVRAABYPN-AZUAARDMSA-N 1 0 391.556 4.041 20 0 GIADRO C[N@@H+](Cc1cccc(OC(F)(F)F)c1)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000181744666 821972576 /nfs/dbraw/zinc/97/25/76/821972576.db2.gz KZQSTJNFYXFXFR-UHFFFAOYSA-N 1 0 386.458 4.302 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@@H](C)c2ccc(-n3ccnn3)cc2)cnn1-c1ccc(F)cc1 ZINC000181745801 821973789 /nfs/dbraw/zinc/97/37/89/821973789.db2.gz CWQZRKOYWJFKTH-HOTGVXAUSA-N 1 0 390.466 4.312 20 0 GIADRO CCOc1ccc(Cl)cc1CC[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000181755964 821978586 /nfs/dbraw/zinc/97/85/86/821978586.db2.gz QWMOIAGAALYZBG-CQSZACIVSA-N 1 0 381.925 4.036 20 0 GIADRO Fc1cccc(F)c1-n1ccc(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)n1 ZINC000181765480 821983037 /nfs/dbraw/zinc/98/30/37/821983037.db2.gz OVXCUTXRXGPDNU-KKSFZXQISA-N 1 0 383.442 4.408 20 0 GIADRO CS(=O)(=O)C[C@H]([NH2+]CCCSc1ccccc1Cl)c1ccccc1 ZINC000181767364 821984331 /nfs/dbraw/zinc/98/43/31/821984331.db2.gz ZKMODHVUYCGCLC-KRWDZBQOSA-N 1 0 383.966 4.198 20 0 GIADRO CC(C)Cn1cc(C[NH2+]Cc2cccc(NC(=O)c3cccc(F)c3)c2)cn1 ZINC000181769071 821985352 /nfs/dbraw/zinc/98/53/52/821985352.db2.gz KXBIZNVTQQDHFG-UHFFFAOYSA-N 1 0 380.467 4.220 20 0 GIADRO CC[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1)c1c(C)noc1C ZINC000181770414 821985958 /nfs/dbraw/zinc/98/59/58/821985958.db2.gz UUZVIXVPCUBKKK-IFXJQAMLSA-N 1 0 393.553 4.124 20 0 GIADRO CCN(CC)C(=O)c1ccc(NC(=O)C[NH2+][C@H](C)C(C)(C)c2ccccc2)cc1 ZINC000181775781 821987526 /nfs/dbraw/zinc/98/75/26/821987526.db2.gz AIVQEGKVPTWABR-GOSISDBHSA-N 1 0 395.547 4.063 20 0 GIADRO CS(=O)(=O)C[C@@H]([NH2+]CCCc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000181780229 821989232 /nfs/dbraw/zinc/98/92/32/821989232.db2.gz OZVMUDMMRYSHQR-GOSISDBHSA-N 1 0 385.451 4.014 20 0 GIADRO Cc1cc(C)c(C(=O)N[C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)c(Cl)n1 ZINC000181782808 821990232 /nfs/dbraw/zinc/99/02/32/821990232.db2.gz GEXLUTRXELGOGU-KRWDZBQOSA-N 1 0 399.922 4.070 20 0 GIADRO CCN(CC)C(=O)c1cccc(NC(=O)C[NH2+][C@H](C)C(C)(C)c2ccccc2)c1 ZINC000181791841 821993970 /nfs/dbraw/zinc/99/39/70/821993970.db2.gz HLOXYJDDIAYNQR-GOSISDBHSA-N 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CC(C)OCCCCNC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000181869028 822021592 /nfs/dbraw/zinc/02/15/92/822021592.db2.gz HKXYKIDRVXINPJ-LJQANCHMSA-N 1 0 375.557 4.065 20 0 GIADRO CC(C)N(CC[NH+](C)C)C(=O)Nc1ccc(Cl)cc1OCC(F)(F)F ZINC000181874504 822022769 /nfs/dbraw/zinc/02/27/69/822022769.db2.gz BULGZRZSTXMOCZ-UHFFFAOYSA-N 1 0 381.826 4.085 20 0 GIADRO CC[C@@H](NC(=O)NCC[C@H](C)[NH+]1CCCCC1)c1nc(C(F)(F)F)cs1 ZINC000181881373 822025515 /nfs/dbraw/zinc/02/55/15/822025515.db2.gz HKSDEBRGZDPHGO-QWHCGFSZSA-N 1 0 392.491 4.177 20 0 GIADRO CC1(C)[C@H]([NH2+]C[C@H](O)c2cccc(OCc3ccccc3)c2)[C@@H]2CCCO[C@@H]21 ZINC000181899516 822030587 /nfs/dbraw/zinc/03/05/87/822030587.db2.gz PGYZAXLQRYFNDC-GPJHCHHRSA-N 1 0 381.516 4.092 20 0 GIADRO CC1(C)[C@H]([NH2+]C[C@H](O)c2cccc(OCc3ccccc3)c2)[C@H]2CCCO[C@@H]21 ZINC000181899480 822030779 /nfs/dbraw/zinc/03/07/79/822030779.db2.gz PGYZAXLQRYFNDC-ACESQOTJSA-N 1 0 381.516 4.092 20 0 GIADRO C[C@H]([NH2+]Cc1cc(=O)oc2cc(O)ccc12)c1cccc(OC(F)(F)F)c1 ZINC000181902010 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1 0 388.552 4.151 20 0 GIADRO CC(C)c1ccc(C2(O)CCC([NH2+]CCc3nnc4n3CCCCC4)CC2)cc1 ZINC000181932102 822039088 /nfs/dbraw/zinc/03/90/88/822039088.db2.gz AFUIAILRYPUZSF-UHFFFAOYSA-N 1 0 396.579 4.090 20 0 GIADRO C[NH+](C)CCCOC1CCN(c2nc(-c3ccccc3Cl)cs2)CC1 ZINC000181933750 822039613 /nfs/dbraw/zinc/03/96/13/822039613.db2.gz LJNTUQFYEWVPST-UHFFFAOYSA-N 1 0 379.957 4.401 20 0 GIADRO COc1ccccc1COc1cccc(NC(=O)N(CC[NH+](C)C)C(C)C)c1C ZINC000181938719 822040563 /nfs/dbraw/zinc/04/05/63/822040563.db2.gz GCCRXQXBQXPQJU-UHFFFAOYSA-N 1 0 399.535 4.387 20 0 GIADRO CN(C)C(=O)c1cccc(NC(=O)C[NH2+][C@@H](CC2CCCC2)c2ccccc2)c1 ZINC000181942267 822041437 /nfs/dbraw/zinc/04/14/37/822041437.db2.gz QIEHZTBTWJSWRI-QFIPXVFZSA-N 1 0 393.531 4.238 20 0 GIADRO CCOc1cccc2cc([C@H](C)[NH2+]CCNC(=O)c3c(F)cccc3F)oc21 ZINC000181952211 822044040 /nfs/dbraw/zinc/04/40/40/822044040.db2.gz ZRCYPGVISYYUQY-ZDUSSCGKSA-N 1 0 388.414 4.190 20 0 GIADRO CC(C)[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(Cl)cc1F ZINC000181985473 822053785 /nfs/dbraw/zinc/05/37/85/822053785.db2.gz JFHRURZAIYFJJF-IBGZPJMESA-N 1 0 398.931 4.216 20 0 GIADRO CCOc1ccc(C2(C[NH2+][C@H](C)c3ccc(NC(C)=O)cc3)CCOCC2)cc1 ZINC000181993679 822056878 /nfs/dbraw/zinc/05/68/78/822056878.db2.gz HYYIXLRQYOUCOF-GOSISDBHSA-N 1 0 396.531 4.443 20 0 GIADRO Cc1cc(N2CC[C@H]([NH2+][C@H](C)c3cc4c(ccc5ccccc45)o3)C2=O)n(C)n1 ZINC000181997045 822057841 /nfs/dbraw/zinc/05/78/41/822057841.db2.gz RPCIIYQEBSFNGJ-BEFAXECRSA-N 1 0 388.471 4.084 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1c[nH]c2cc(F)ccc12 ZINC000182011968 822061798 /nfs/dbraw/zinc/06/17/98/822061798.db2.gz ZCNNAIXMGJUUIX-SFHVURJKSA-N 1 0 379.479 4.291 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1ccncc1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000182017879 822063977 /nfs/dbraw/zinc/06/39/77/822063977.db2.gz WFEANDQLXVFORC-INIZCTEOSA-N 1 0 379.435 4.089 20 0 GIADRO Cc1ccc(Oc2ccccc2)c(NC(=O)N2CCC([N@H+](C)CCCO)CC2)c1 ZINC000182021323 822064926 /nfs/dbraw/zinc/06/49/26/822064926.db2.gz AFOSCJUVPPIJAC-UHFFFAOYSA-N 1 0 397.519 4.098 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(C(=O)Nc2ccccc2)c1)c1ccc(-n2ccnn2)cc1 ZINC000182036910 822069732 /nfs/dbraw/zinc/06/97/32/822069732.db2.gz YPSJMZSZXGKWBB-SFHVURJKSA-N 1 0 397.482 4.370 20 0 GIADRO Cc1nn(C)c(C)c1CCC[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000182045938 822072200 /nfs/dbraw/zinc/07/22/00/822072200.db2.gz WNVWDVVAAHUCIK-UHFFFAOYSA-N 1 0 398.938 4.387 20 0 GIADRO COc1cc(C[NH2+]CCCc2c(C)nn(C)c2C)ccc1OCc1ccccc1 ZINC000182047204 822072823 /nfs/dbraw/zinc/07/28/23/822072823.db2.gz WNORAGXAGNUQMT-UHFFFAOYSA-N 1 0 393.531 4.347 20 0 GIADRO C[C@@H]([NH2+]Cc1ccccc1OCC(F)(F)F)c1ccc(-n2ccnn2)cc1 ZINC000182047717 822073091 /nfs/dbraw/zinc/07/30/91/822073091.db2.gz NIVHHWNTBTWTQV-CQSZACIVSA-N 1 0 376.382 4.059 20 0 GIADRO CC(C)[C@@H](CC(=O)Nc1ccccc1C[NH+]1CCC(O)CC1)c1ccccc1 ZINC000182064638 822079285 /nfs/dbraw/zinc/07/92/85/822079285.db2.gz RUPNQDQRKWNOCJ-JOCHJYFZSA-N 1 0 380.532 4.412 20 0 GIADRO CCOc1cccc2cc([C@@H](C)[NH2+]Cc3ccc(C(=O)OC)c(OC)c3)oc21 ZINC000182068872 822080765 /nfs/dbraw/zinc/08/07/65/822080765.db2.gz MSDRAFGCXYKTKP-CQSZACIVSA-N 1 0 383.444 4.478 20 0 GIADRO COC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(OC)c(Br)c2)c(F)c1 ZINC000182070388 822081544 /nfs/dbraw/zinc/08/15/44/822081544.db2.gz VRCBTGCOKOOIHG-NSHDSACASA-N 1 0 396.256 4.234 20 0 GIADRO O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)c1cc(C(F)(F)F)ccc1F ZINC000182070531 822081745 /nfs/dbraw/zinc/08/17/45/822081745.db2.gz FBIUVSSSTQUBCU-UHFFFAOYSA-N 1 0 396.384 4.054 20 0 GIADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)Cc1csc(-c2cccs2)n1 ZINC000182088617 822088949 /nfs/dbraw/zinc/08/89/49/822088949.db2.gz IFCCODSYIYNDKV-OAHLLOKOSA-N 1 0 385.558 4.051 20 0 GIADRO CCOc1cccc2cc([C@@H](C)[NH2+][C@H](C)Cn3ncc4ccccc4c3=O)oc21 ZINC000182092312 822090835 /nfs/dbraw/zinc/09/08/35/822090835.db2.gz DBLLBXRYDRJJHP-HZPDHXFCSA-N 1 0 391.471 4.281 20 0 GIADRO C[S@](=O)C[C@H]([NH2+]Cc1ccc(-n2cnc3ccccc32)cc1)c1ccccc1 ZINC000182100534 822094175 /nfs/dbraw/zinc/09/41/75/822094175.db2.gz OEFIXJXWPWBCBZ-DWACAAAGSA-N 1 0 389.524 4.235 20 0 GIADRO Cc1cc(C(=O)Nc2cc(C[NH+]3CCCC3)ccc2C)nn1-c1ccc(F)cc1 ZINC000182103899 822094858 /nfs/dbraw/zinc/09/48/58/822094858.db2.gz PQHXHYQJQVFVEV-UHFFFAOYSA-N 1 0 392.478 4.476 20 0 GIADRO C[S@@](=O)C[C@H]([NH2+]Cc1ccc(Cl)c(Br)c1)c1ccccc1 ZINC000182103914 822095057 /nfs/dbraw/zinc/09/50/57/822095057.db2.gz WWCWVFUIEUKCBM-HRAATJIYSA-N 1 0 386.742 4.312 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(SC(C)C)cc2)cc1 ZINC000182104964 822095198 /nfs/dbraw/zinc/09/51/98/822095198.db2.gz WARNNGIJKZODQN-OAHLLOKOSA-N 1 0 385.533 4.435 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)C[NH2+][C@H](C)c2ccc(SC(C)C)cc2)c1 ZINC000182105711 822095714 /nfs/dbraw/zinc/09/57/14/822095714.db2.gz ZJXCDEWJZUJBMW-OAHLLOKOSA-N 1 0 385.533 4.435 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(SC(C)C)cc2)cc1 ZINC000182104984 822095950 /nfs/dbraw/zinc/09/59/50/822095950.db2.gz WARNNGIJKZODQN-HNNXBMFYSA-N 1 0 385.533 4.435 20 0 GIADRO c1ccc([C@@H](CN2CCOCC2)[NH2+]Cc2ccccc2Oc2cccnc2)cc1 ZINC000182138025 822112166 /nfs/dbraw/zinc/11/21/66/822112166.db2.gz FJHKWIVSDLNNRK-HSZRJFAPSA-N 1 0 389.499 4.037 20 0 GIADRO N#Cc1ccc(C[NH+]2CCC(Nc3ccc(OC[C@@H]4CCCO4)cc3)CC2)cc1 ZINC000182146951 822117852 /nfs/dbraw/zinc/11/78/52/822117852.db2.gz CKBCHYLXCPSWJX-DEOSSOPVSA-N 1 0 391.515 4.193 20 0 GIADRO N#Cc1ccc(C[NH+]2CCC(Nc3ccc(OC[C@H]4CCCO4)cc3)CC2)cc1 ZINC000182146972 822117945 /nfs/dbraw/zinc/11/79/45/822117945.db2.gz CKBCHYLXCPSWJX-XMMPIXPASA-N 1 0 391.515 4.193 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)cc(OC)c1OC ZINC000182155039 822120865 /nfs/dbraw/zinc/12/08/65/822120865.db2.gz NNGAFVSPHBERKG-CYFODOTGSA-N 1 0 393.430 4.171 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)cc1NC(C)=O ZINC000182159320 822122929 /nfs/dbraw/zinc/12/29/29/822122929.db2.gz UITNFOGVUGBWBX-VXOKYEDTSA-N 1 0 390.430 4.113 20 0 GIADRO C[C@H]([NH2+][C@H]1CCCOc2cc(Cl)ccc21)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000182171616 822130097 /nfs/dbraw/zinc/13/00/97/822130097.db2.gz PRJZKYJYUUDYRN-SJCJKPOMSA-N 1 0 397.899 4.447 20 0 GIADRO C[C@H](CN(C)Cc1ccccc1)[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000182173484 822131436 /nfs/dbraw/zinc/13/14/36/822131436.db2.gz ABGJHLHYEZRHGA-GOSISDBHSA-N 1 0 399.966 4.055 20 0 GIADRO CC(C)(C)OC(=O)c1ccccc1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000182175617 822132802 /nfs/dbraw/zinc/13/28/02/822132802.db2.gz PDXCZJVEAJOWEZ-OXJNMPFZSA-N 1 0 399.535 4.123 20 0 GIADRO Cc1c(Br)cccc1C[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000182196189 822141497 /nfs/dbraw/zinc/14/14/97/822141497.db2.gz FBZZVTWYUIATFQ-CYBMUJFWSA-N 1 0 382.323 4.012 20 0 GIADRO CN(C)C(=O)CC1CC[NH+](CCCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000182197641 822142475 /nfs/dbraw/zinc/14/24/75/822142475.db2.gz PBXNIPGEIJDBAX-UHFFFAOYSA-N 1 0 386.458 4.055 20 0 GIADRO C[C@H]([NH2+]C1(c2cccc(Cl)c2)CC1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000182258557 822173268 /nfs/dbraw/zinc/17/32/68/822173268.db2.gz ZHGXYWASVXDNFT-HNNXBMFYSA-N 1 0 390.936 4.220 20 0 GIADRO Cc1ccc(N[C@@H](C)c2cccc(OCC[NH+](C)C)c2)cc1N1CCOC1=O ZINC000182272291 822181360 /nfs/dbraw/zinc/18/13/60/822181360.db2.gz VPZJMOWAQFUXQA-KRWDZBQOSA-N 1 0 383.492 4.065 20 0 GIADRO CC(C)[C@@H]([NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1)c1ccc(Cl)cc1F ZINC000182276380 822183415 /nfs/dbraw/zinc/18/34/15/822183415.db2.gz GGFYPQRCXAZZLR-KPZWWZAWSA-N 1 0 384.904 4.174 20 0 GIADRO CC1CC[NH+](Cc2ccccc2CNC(=O)N2CCCC[C@H]2c2cn[nH]c2)CC1 ZINC000182303054 822194716 /nfs/dbraw/zinc/19/47/16/822194716.db2.gz AIOMJGWTUQIBSD-QFIPXVFZSA-N 1 0 395.551 4.078 20 0 GIADRO Cc1nn(C(C)(C)C)cc1C(=O)Nc1ccc(C[NH+]2CCSCC2)cc1C ZINC000182321879 822202220 /nfs/dbraw/zinc/20/22/20/822202220.db2.gz XMHICGLBMAMZCZ-UHFFFAOYSA-N 1 0 386.565 4.056 20 0 GIADRO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000182335124 822205887 /nfs/dbraw/zinc/20/58/87/822205887.db2.gz YPWNUKPNEYXBHN-ZDUSSCGKSA-N 1 0 387.423 4.230 20 0 GIADRO COc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@@H](C)c2ccc(C)cc2)c(OC)c1 ZINC000182348946 822210152 /nfs/dbraw/zinc/21/01/52/822210152.db2.gz VHGIEVMWCRZCQF-UWJYYQICSA-N 1 0 382.504 4.027 20 0 GIADRO CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000182355666 822213203 /nfs/dbraw/zinc/21/32/03/822213203.db2.gz AIJYLSZWUIKSIE-OAQYLSRUSA-N 1 0 399.510 4.152 20 0 GIADRO CC[C@@H](C)Oc1cc(C(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)ccn1 ZINC000182369871 822218006 /nfs/dbraw/zinc/21/80/06/822218006.db2.gz JVGHSAGTSZAOFP-GOSISDBHSA-N 1 0 396.535 4.033 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)/C=C/Sc3ccccc3)cc2)CC1 ZINC000182369481 822218184 /nfs/dbraw/zinc/21/81/84/822218184.db2.gz WKIVMVYQOBBKKP-SAPNQHFASA-N 1 0 381.545 4.462 20 0 GIADRO COc1ccc(C[C@H](C)C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)cc1 ZINC000182371063 822218375 /nfs/dbraw/zinc/21/83/75/822218375.db2.gz MPWFEVKTWIWTOQ-SFHVURJKSA-N 1 0 395.547 4.043 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3cc4c(s3)CCCC4)cc2)CC1 ZINC000182372523 822219515 /nfs/dbraw/zinc/21/95/15/822219515.db2.gz YGNAWXQMPHRGTN-UHFFFAOYSA-N 1 0 383.561 4.410 20 0 GIADRO C[C@H](OCCCNC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccccc1 ZINC000182377843 822221216 /nfs/dbraw/zinc/22/12/16/822221216.db2.gz OAWYOTIPYWNCQI-IRFCIJBXSA-N 1 0 387.568 4.107 20 0 GIADRO COc1ccc([C@H](NC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)C2CC2)cc1 ZINC000182380333 822222270 /nfs/dbraw/zinc/22/22/70/822222270.db2.gz JLONOYBHDRRLJR-DKZVUGQWSA-N 1 0 385.552 4.099 20 0 GIADRO C[C@H](NC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(OC(F)F)cc1 ZINC000182403800 822231477 /nfs/dbraw/zinc/23/14/77/822231477.db2.gz RSYZKOUZUJYMTI-YQQAZPJKSA-N 1 0 395.494 4.301 20 0 GIADRO C[C@H](NC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1cccc(OC(F)F)c1 ZINC000182403650 822231563 /nfs/dbraw/zinc/23/15/63/822231563.db2.gz LVCOJYHTCFZUEV-YQQAZPJKSA-N 1 0 395.494 4.301 20 0 GIADRO CC[C@H](NCC(=O)N1CCCCC[C@H]1c1ccc(OC)cc1)c1c(C)noc1C ZINC000182412253 822233569 /nfs/dbraw/zinc/23/35/69/822233569.db2.gz ZRYXBORVVXLERB-SFTDATJTSA-N 1 0 399.535 4.485 20 0 GIADRO COC[C@H](NCc1cn(-c2ccc(Cl)c(Cl)c2)nn1)c1ccccc1 ZINC000182432773 822240615 /nfs/dbraw/zinc/24/06/15/822240615.db2.gz XHQPNJKSCVCABC-SFHVURJKSA-N 1 0 377.275 4.051 20 0 GIADRO CC(C)(NCC1(C[NH2+]C(C)(C)c2cccc(F)c2)COC1)c1cccc(F)c1 ZINC000182437123 822242179 /nfs/dbraw/zinc/24/21/79/822242179.db2.gz BXXLRMRLERCLJV-UHFFFAOYSA-N 1 0 388.502 4.331 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1ccnn1C1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000182459560 822250576 /nfs/dbraw/zinc/25/05/76/822250576.db2.gz WERIKMZDASSQHH-ZDUSSCGKSA-N 1 0 380.414 4.306 20 0 GIADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3cc(Cl)ccc3N3CCCCC3)CC[C@@H]21 ZINC000177943937 822251592 /nfs/dbraw/zinc/25/15/92/822251592.db2.gz MWYRYVYLIIJHPV-APWZRJJASA-N 1 0 390.959 4.278 20 0 GIADRO C[C@@H]([NH2+]Cc1ccccc1N1CCOCC1)c1ccc(F)c(Br)c1 ZINC000177963620 822259547 /nfs/dbraw/zinc/25/95/47/822259547.db2.gz UTADFCLKNHOMBI-CQSZACIVSA-N 1 0 393.300 4.276 20 0 GIADRO C[C@@H]([NH2+]Cc1ccccc1N1CCOCC1)c1cc(Br)ccc1F ZINC000177964506 822260230 /nfs/dbraw/zinc/26/02/30/822260230.db2.gz KTGKWYZJJULPMH-CQSZACIVSA-N 1 0 393.300 4.276 20 0 GIADRO CCc1nc2c(s1)[C@@H]([NH2+]CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)CCC2 ZINC000177976200 822265980 /nfs/dbraw/zinc/26/59/80/822265980.db2.gz BDADNGYMCAOTLQ-GJZGRUSLSA-N 1 0 379.570 4.320 20 0 GIADRO O=C1CCCN1Cc1cccc(C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)c1 ZINC000177992520 822273661 /nfs/dbraw/zinc/27/36/61/822273661.db2.gz PHZJWUUIHZTEPB-HXUWFJFHSA-N 1 0 384.907 4.466 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(COc3cccc(F)c3)c2)C1 ZINC000178012483 822282191 /nfs/dbraw/zinc/28/21/91/822282191.db2.gz FNPFSIKHDQLBEY-GOSISDBHSA-N 1 0 385.483 4.210 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2SC(F)F)c1 ZINC000182526525 822283689 /nfs/dbraw/zinc/28/36/89/822283689.db2.gz UQQHOYFYOXZVSF-GFCCVEGCSA-N 1 0 393.459 4.249 20 0 GIADRO O=C(c1ccccc1F)N1CCC([NH2+][C@H]2CCSc3c(F)cccc32)CC1 ZINC000178017474 822283782 /nfs/dbraw/zinc/28/37/82/822283782.db2.gz PWQKHDSWTRSTAH-IBGZPJMESA-N 1 0 388.483 4.396 20 0 GIADRO Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+]CCNC(=O)c1ccccc1 ZINC000178020355 822285147 /nfs/dbraw/zinc/28/51/47/822285147.db2.gz XREVCAUEGIHRKM-AWEZNQCLSA-N 1 0 383.492 4.338 20 0 GIADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cnn(-c2ccccc2)c1C1CC1 ZINC000182535327 822288168 /nfs/dbraw/zinc/28/81/68/822288168.db2.gz OBELVWOSUURKOT-GOSISDBHSA-N 1 0 388.515 4.000 20 0 GIADRO CCC[C@@H]1C[C@@H](C(=O)Nc2cc(Cl)ccc2N2CC[NH+](CC)CC2)CCO1 ZINC000182538025 822290377 /nfs/dbraw/zinc/29/03/77/822290377.db2.gz FEURJBBMIFHBIV-FUHWJXTLSA-N 1 0 393.959 4.016 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc3nc(-c4ccc(F)cc4)oc3c2)C1 ZINC000178035083 822292357 /nfs/dbraw/zinc/29/23/57/822292357.db2.gz HAUKDEKPNRVPMX-HNNXBMFYSA-N 1 0 396.466 4.439 20 0 GIADRO CC(=O)c1ccc(NC(=O)N(CC[NH+](C)C)Cc2cccs2)cc1Cl ZINC000182541366 822292465 /nfs/dbraw/zinc/29/24/65/822292465.db2.gz SEZQVMJIKRQAAW-UHFFFAOYSA-N 1 0 379.913 4.200 20 0 GIADRO CCN(CC)C(=O)CCC1CC[NH+](Cc2cc(=O)oc3cc(C)c(C)cc23)CC1 ZINC000182548474 822296292 /nfs/dbraw/zinc/29/62/92/822296292.db2.gz JHGIYNHFWCUHIO-UHFFFAOYSA-N 1 0 398.547 4.270 20 0 GIADRO CC[C@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)c1ccc(Br)cc1 ZINC000178045049 822297381 /nfs/dbraw/zinc/29/73/81/822297381.db2.gz PDRXHQZJSADKOT-IBGZPJMESA-N 1 0 385.309 4.330 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CC(=O)N[C@H](CC(C)C)c2ccccc2)c1 ZINC000182552638 822298398 /nfs/dbraw/zinc/29/83/98/822298398.db2.gz QTYURTGMTGSYPR-VGOFRKELSA-N 1 0 381.520 4.199 20 0 GIADRO C[C@@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccc(-c2ccccc2F)s1 ZINC000178049556 822300258 /nfs/dbraw/zinc/30/02/58/822300258.db2.gz NFVHVXPCGUGYRQ-CQSZACIVSA-N 1 0 379.464 4.381 20 0 GIADRO CCCN(CCC)C(=O)C[NH2+][C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000182562384 822303434 /nfs/dbraw/zinc/30/34/34/822303434.db2.gz SYHWHDHYHFKBTJ-GOSISDBHSA-N 1 0 381.520 4.238 20 0 GIADRO CC[NH+]1CCN(c2ccc(N[C@H](C)c3nc4ccccc4n3C)c(C)c2)CC1 ZINC000182565658 822305227 /nfs/dbraw/zinc/30/52/27/822305227.db2.gz MMPSIQJHFSFGRK-GOSISDBHSA-N 1 0 377.536 4.197 20 0 GIADRO CC(C)N(C(=O)C[NH2+][C@H](C)c1cccc(NC(=O)c2ccccc2)c1)C(C)C ZINC000182566781 822305792 /nfs/dbraw/zinc/30/57/92/822305792.db2.gz GLGRVNFNAQJKIW-GOSISDBHSA-N 1 0 381.520 4.235 20 0 GIADRO C[C@@H](c1ccc(F)cc1F)[NH+]1CCC(OCCCNC(=O)OC(C)(C)C)CC1 ZINC000178065154 822306896 /nfs/dbraw/zinc/30/68/96/822306896.db2.gz TVIIDHHZRGPWEN-HNNXBMFYSA-N 1 0 398.494 4.422 20 0 GIADRO CN(C)S(=O)(=O)c1ccc(C[NH2+][C@H](c2ccc(Cl)cc2)C2CCC2)cc1 ZINC000182577509 822310217 /nfs/dbraw/zinc/31/02/17/822310217.db2.gz LFCRRJOCZIJDLU-FQEVSTJZSA-N 1 0 392.952 4.221 20 0 GIADRO CC[C@@H]([NH2+]CC(=O)NC[C@H]1CCN(c2ccccc2)C1)c1cccc(Cl)c1 ZINC000182584263 822312139 /nfs/dbraw/zinc/31/21/39/822312139.db2.gz NTDPNQJBFDUJFM-DYESRHJHSA-N 1 0 385.939 4.023 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1cccc(OC(F)F)c1)c1ccc(NS(C)(=O)=O)cc1 ZINC000178082760 822312817 /nfs/dbraw/zinc/31/28/17/822312817.db2.gz YXRUFKCCYBABFG-CHWSQXEVSA-N 1 0 384.448 4.071 20 0 GIADRO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCc3cc(Cl)ccc32)c(OC)c1 ZINC000178085326 822313441 /nfs/dbraw/zinc/31/34/41/822313441.db2.gz PRWLQFOLFKGGJL-UGSOOPFHSA-N 1 0 388.895 4.351 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCc3cc(Cl)ccc32)cc1 ZINC000178086010 822313556 /nfs/dbraw/zinc/31/35/56/822313556.db2.gz BISAEKSUUUUIST-ORAYPTAESA-N 1 0 378.925 4.440 20 0 GIADRO CCc1ccc([C@H]([NH2+][C@H](C)CCCOC)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000178107062 822322520 /nfs/dbraw/zinc/32/25/20/822322520.db2.gz AXJHFKALNOSMHM-VGSWGCGISA-N 1 0 389.561 4.147 20 0 GIADRO O=C1Nc2ccccc2C12CCC([NH2+][C@@H](c1ccccc1)[C@@H]1CCCO1)CC2 ZINC000178124846 822326457 /nfs/dbraw/zinc/32/64/57/822326457.db2.gz QQKJMWSRIMMJJG-GNBVAXDKSA-N 1 0 376.500 4.329 20 0 GIADRO COc1cc(C)c([C@@H](C)NC(=O)C[NH2+][C@H](C)c2cc3ccccc3o2)cc1OC ZINC000182639452 822334495 /nfs/dbraw/zinc/33/44/95/822334495.db2.gz BIFZPDMAEAMLLO-HZPDHXFCSA-N 1 0 396.487 4.286 20 0 GIADRO COc1ccc([C@H](C)[NH2+]Cc2cccc(Br)c2)cc1NC(C)=O ZINC000178163176 822337783 /nfs/dbraw/zinc/33/77/83/822337783.db2.gz DFPXCKYBIUPXAU-LBPRGKRZSA-N 1 0 377.282 4.267 20 0 GIADRO CCOc1cccc2cc([C@@H](C)[NH2+]C[C@H](O)COc3cccc(C(C)=O)c3)oc21 ZINC000182648446 822338098 /nfs/dbraw/zinc/33/80/98/822338098.db2.gz YXLMCZLJEBICCC-BEFAXECRSA-N 1 0 397.471 4.125 20 0 GIADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCCSc1ccc(F)cc1 ZINC000178168774 822339500 /nfs/dbraw/zinc/33/95/00/822339500.db2.gz AXXCZTQAMLPOOW-CYBMUJFWSA-N 1 0 381.904 4.363 20 0 GIADRO CCOC(=O)C[C@H](C)[N@H+](C)Cc1cc(-c2c(OC)ccc3ccccc32)no1 ZINC000182651688 822339631 /nfs/dbraw/zinc/33/96/31/822339631.db2.gz GBUFDNMFUPXKSM-HNNXBMFYSA-N 1 0 382.460 4.277 20 0 GIADRO O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)c1ccncc1Br ZINC000178173979 822341561 /nfs/dbraw/zinc/34/15/61/822341561.db2.gz DVCHGNOLYAPWAU-UHFFFAOYSA-N 1 0 388.309 4.472 20 0 GIADRO COc1cccc2c1CC[N@H+](CCC(=O)Nc1ccccc1C(F)(F)F)C2 ZINC000182669519 822345565 /nfs/dbraw/zinc/34/55/65/822345565.db2.gz TUDCXIILXRWHTR-UHFFFAOYSA-N 1 0 378.394 4.101 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1ccc(SCC(F)(F)F)cc1 ZINC000178190493 822347618 /nfs/dbraw/zinc/34/76/18/822347618.db2.gz MFEIFQDHGXVYIT-ZBFHGGJFSA-N 1 0 396.482 4.451 20 0 GIADRO C[C@H](CNC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)Sc1ccccc1 ZINC000182677253 822348293 /nfs/dbraw/zinc/34/82/93/822348293.db2.gz ISWVJXNAHWJEDS-FGTMMUONSA-N 1 0 375.582 4.119 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1F)[C@H](C)c1nc2ccccc2s1 ZINC000178202306 822350782 /nfs/dbraw/zinc/35/07/82/822350782.db2.gz YVBXQJZLDPMMQF-WDEREUQCSA-N 1 0 393.434 4.434 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1F)c1cccc(-c2ccncc2)c1 ZINC000178203957 822352152 /nfs/dbraw/zinc/35/21/52/822352152.db2.gz UQZCLKUHYQZEJF-ZDUSSCGKSA-N 1 0 385.389 4.455 20 0 GIADRO Cc1nc(C)c([C@@H](C)[NH2+]Cc2cccc(NC(=O)NCc3ccncc3)c2)s1 ZINC000178208413 822353083 /nfs/dbraw/zinc/35/30/83/822353083.db2.gz NUQCMEJFPGPJON-CQSZACIVSA-N 1 0 395.532 4.327 20 0 GIADRO Cc1ccc(-n2nc(C(=O)Nc3ccc([C@@H](C)[NH3+])cc3)c3c2CCC3)c(F)c1 ZINC000178211145 822353383 /nfs/dbraw/zinc/35/33/83/822353383.db2.gz XTJFAICRVNHXCR-CQSZACIVSA-N 1 0 378.451 4.081 20 0 GIADRO CCCc1c(C(=O)Nc2ccc([C@H](C)[NH3+])cc2)nnn1-c1cccc(Cl)c1 ZINC000178211500 822353403 /nfs/dbraw/zinc/35/34/03/822353403.db2.gz LBOWBNCOLAIQBJ-ZDUSSCGKSA-N 1 0 383.883 4.145 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1)C1CCCCC1 ZINC000182694579 822353425 /nfs/dbraw/zinc/35/34/25/822353425.db2.gz ZYBILUBSAMEBOD-OAHLLOKOSA-N 1 0 385.533 4.497 20 0 GIADRO CCCN(C(=O)c1cccs1)C1CC[NH+](Cc2sc(C)nc2C)CC1 ZINC000178218551 822354718 /nfs/dbraw/zinc/35/47/18/822354718.db2.gz PLRRXTSJOIUEIJ-UHFFFAOYSA-N 1 0 377.579 4.338 20 0 GIADRO C[C@@H]([NH2+]CC1CCC(C(F)(F)F)CC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000178215889 822354735 /nfs/dbraw/zinc/35/47/35/822354735.db2.gz LKKDJHJECGHWSP-LKSINWNRSA-N 1 0 381.435 4.249 20 0 GIADRO C[C@@H](CN(C)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1nccs1 ZINC000182701243 822355004 /nfs/dbraw/zinc/35/50/04/822355004.db2.gz RHFVLRFDCDTCOL-IRXDYDNUSA-N 1 0 386.565 4.114 20 0 GIADRO C[C@@H]([NH3+])c1ccc(NC(=O)CCCOc2cccc(Br)c2)cc1 ZINC000178223259 822355843 /nfs/dbraw/zinc/35/58/43/822355843.db2.gz ZPMXJAUFMWSRKP-CYBMUJFWSA-N 1 0 377.282 4.267 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCC1)Nc1ccccc1OCC(F)F ZINC000178233899 822357046 /nfs/dbraw/zinc/35/70/46/822357046.db2.gz LTPFRHLVLBKDIV-UHFFFAOYSA-N 1 0 389.446 4.248 20 0 GIADRO O=C(/C=C(/c1ccc(Cl)cc1)C(F)(F)F)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000178232956 822357048 /nfs/dbraw/zinc/35/70/48/822357048.db2.gz CUAURDBUTVKFCF-FMNVXAMXSA-N 1 0 386.845 4.230 20 0 GIADRO C[C@H]([NH3+])c1ccc(NC(=O)CCCOc2ccccc2Br)cc1 ZINC000178236955 822357371 /nfs/dbraw/zinc/35/73/71/822357371.db2.gz CVPMIRAEVXDOKW-ZDUSSCGKSA-N 1 0 377.282 4.267 20 0 GIADRO CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000178243681 822358037 /nfs/dbraw/zinc/35/80/37/822358037.db2.gz SMNQRCDNJLMQFD-KUHUBIRLSA-N 1 0 387.911 4.143 20 0 GIADRO COc1cc(F)cc(C[C@H](C)[NH2+][C@@H](C)c2cc(OC)c(OC)c(OC)c2)c1 ZINC000453407910 822358682 /nfs/dbraw/zinc/35/86/82/822358682.db2.gz VKNMNKJTNFEOJL-KBPBESRZSA-N 1 0 377.456 4.142 20 0 GIADRO Cc1cnc(CC[NH2+][C@H](C)c2ccc(Br)cc2Br)cn1 ZINC000453410115 822358896 /nfs/dbraw/zinc/35/88/96/822358896.db2.gz VAOUQRGRYPIQML-LLVKDONJSA-N 1 0 399.130 4.203 20 0 GIADRO Cc1cnc(CC[NH2+][C@H](c2ccc(Br)cc2Cl)C2CC2)cn1 ZINC000453411633 822359043 /nfs/dbraw/zinc/35/90/43/822359043.db2.gz VUFQJOSOMSYJLW-KRWDZBQOSA-N 1 0 380.717 4.484 20 0 GIADRO Cc1cccc([C@@H](C)[NH2+][C@@H](C)c2ccc(S(=O)(=O)NCc3ccco3)cc2)c1 ZINC000453412104 822359116 /nfs/dbraw/zinc/35/91/16/822359116.db2.gz XSBHYBJSSRQZAU-ZWKOTPCHSA-N 1 0 398.528 4.478 20 0 GIADRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)c2ccccc2OC)cc1 ZINC000178256978 822359603 /nfs/dbraw/zinc/35/96/03/822359603.db2.gz IZZBPMAGTZJFFY-SJORKVTESA-N 1 0 390.549 4.138 20 0 GIADRO COC[C@@H]([NH2+]CCc1ccc(OC)c(OC(F)F)c1)c1ccc(F)c(F)c1 ZINC000182741468 822360551 /nfs/dbraw/zinc/36/05/51/822360551.db2.gz RQKRFYBFGUJFDG-MRXNPFEDSA-N 1 0 387.373 4.095 20 0 GIADRO Cc1ccc(C[C@H](CO)[NH2+][C@@H](C)c2ccc(NC(=O)NC(C)C)cc2)cc1C ZINC000453425324 822361187 /nfs/dbraw/zinc/36/11/87/822361187.db2.gz GQGMRNGPJCPBHM-PGRDOPGGSA-N 1 0 383.536 4.088 20 0 GIADRO CC[C@@H]([NH2+][C@@H](c1ccc(Br)cc1C(F)(F)F)C1CC1)C(=O)NC ZINC000453425443 822361246 /nfs/dbraw/zinc/36/12/46/822361246.db2.gz YQVZAMSLKFQCKR-ZIAGYGMSSA-N 1 0 393.247 4.033 20 0 GIADRO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1ccc(-n2cc[nH]c2=S)cc1 ZINC000045085637 822361897 /nfs/dbraw/zinc/36/18/97/822361897.db2.gz KBXYSDNSWCOHDY-UHFFFAOYSA-N 1 0 378.501 4.383 20 0 GIADRO CC[C@@H](C(=O)N1CCC([NH2+][C@H](C)c2ccc3c(c2)CCO3)CC1)c1ccccc1 ZINC000178274290 822362117 /nfs/dbraw/zinc/36/21/17/822362117.db2.gz BSADKGMGNKTACG-WZONZLPQSA-N 1 0 392.543 4.457 20 0 GIADRO O=C(Nc1ccc(Cl)cc1Br)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000178276287 822362330 /nfs/dbraw/zinc/36/23/30/822362330.db2.gz OMYJIRWHCNBTSB-CYBMUJFWSA-N 1 0 386.721 4.195 20 0 GIADRO C[C@@H]([NH2+]Cc1nnc2n1CCCCC2)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000178285406 822363372 /nfs/dbraw/zinc/36/33/72/822363372.db2.gz FWFHVZQFUKPYAZ-CHWSQXEVSA-N 1 0 383.323 4.257 20 0 GIADRO Cc1cc([C@@H](C)[NH2+]CC(=O)Nc2c(C)nn(-c3ccccc3)c2C)c(C)s1 ZINC000182762181 822363902 /nfs/dbraw/zinc/36/39/02/822363902.db2.gz DHXNPAQALIPUDU-CQSZACIVSA-N 1 0 382.533 4.457 20 0 GIADRO Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)[NH2+]CCC(=O)N(C)C ZINC000178292807 822364019 /nfs/dbraw/zinc/36/40/19/822364019.db2.gz WQRKVVZNJWCOAA-NSHDSACASA-N 1 0 396.354 4.010 20 0 GIADRO CC[C@@H]([NH2+][C@H](C)c1cccc(N2CCCS2(=O)=O)c1)c1ccc(OC)cc1 ZINC000178290671 822364054 /nfs/dbraw/zinc/36/40/54/822364054.db2.gz OYSWQYGXYXJGKY-IIBYNOLFSA-N 1 0 388.533 4.037 20 0 GIADRO C[C@H](C[NH2+][C@H](C)c1ccc([S@](C)=O)cc1)Oc1ccccc1Br ZINC000178292814 822364083 /nfs/dbraw/zinc/36/40/83/822364083.db2.gz ODNORAFDTVHCGT-CSTKLKAISA-N 1 0 396.350 4.305 20 0 GIADRO C[C@H](NC(=O)N[C@@H](C[C@@H]1CCOC1)c1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182768600 822364736 /nfs/dbraw/zinc/36/47/36/822364736.db2.gz RZHUIYHMUHOWSL-VKUXKFIQSA-N 1 0 399.579 4.107 20 0 GIADRO CCn1c([C@@H]2CCCCO2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000453452657 822366097 /nfs/dbraw/zinc/36/60/97/822366097.db2.gz QEOWTPYJAROJKH-GIVPXCGWSA-N 1 0 397.567 4.029 20 0 GIADRO C[C@H](NC(=O)NCc1ccccc1N1CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182782022 822366639 /nfs/dbraw/zinc/36/66/39/822366639.db2.gz HJBDJTRNJLHHLA-FPOVZHCZSA-N 1 0 398.595 4.129 20 0 GIADRO COc1cc(OC)c(OC)cc1C[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000178317764 822366859 /nfs/dbraw/zinc/36/68/59/822366859.db2.gz OSJSCNVWFXXGMD-MRXNPFEDSA-N 1 0 397.393 4.388 20 0 GIADRO O=C(N[C@@H](c1ccco1)c1ccccc1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000045155998 822366961 /nfs/dbraw/zinc/36/69/61/822366961.db2.gz SDGDUEQUFRVGCS-HSZRJFAPSA-N 1 0 389.499 4.287 20 0 GIADRO CCn1c([C@@H]2CCCCO2)nnc1N1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000453455195 822366975 /nfs/dbraw/zinc/36/69/75/822366975.db2.gz SBYIUUSZYSLYKL-FQEVSTJZSA-N 1 0 391.604 4.124 20 0 GIADRO COC(=O)CC(C)(C)[NH2+]Cc1csc(-c2ccc(Br)cc2)n1 ZINC000178328499 822367678 /nfs/dbraw/zinc/36/76/78/822367678.db2.gz GOPUELIECDWORF-UHFFFAOYSA-N 1 0 383.311 4.004 20 0 GIADRO CC[NH+](CC)Cc1cc([C@H](C)Nc2cc(C(=O)NC)ccc2C)ccc1OC ZINC000182789816 822367728 /nfs/dbraw/zinc/36/77/28/822367728.db2.gz NNGHWEQRGMAGBS-KRWDZBQOSA-N 1 0 383.536 4.378 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)NCCc1nc2ccccc2s1 ZINC000045184800 822368493 /nfs/dbraw/zinc/36/84/93/822368493.db2.gz QFPHLIWNLZNISC-UHFFFAOYSA-N 1 0 396.560 4.180 20 0 GIADRO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NCc1ccc(-c2nc3ccccc3s2)o1 ZINC000178356873 822370893 /nfs/dbraw/zinc/37/08/93/822370893.db2.gz MQMMWDXEHLXWOF-GOOCMWNKSA-N 1 0 381.501 4.093 20 0 GIADRO COc1ccc(CC[N@H+](CCc2ccccn2)Cc2ccsc2)cc1OC ZINC000178371027 822372201 /nfs/dbraw/zinc/37/22/01/822372201.db2.gz LRDQCOGADBKHSA-UHFFFAOYSA-N 1 0 382.529 4.448 20 0 GIADRO CC[NH+](CC)Cc1cc([C@@H](C)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)ccc1OC ZINC000182819006 822372679 /nfs/dbraw/zinc/37/26/79/822372679.db2.gz PUGJRVQAABMMRS-HZPDHXFCSA-N 1 0 397.519 4.430 20 0 GIADRO CC(C)n1ncc2cc(C[N@H+](CCCO)[C@H]3CCCc4ccccc43)cnc21 ZINC000178397199 822375155 /nfs/dbraw/zinc/37/51/55/822375155.db2.gz JXBFJHDTFUXNFA-QFIPXVFZSA-N 1 0 378.520 4.274 20 0 GIADRO OCCC[N@H+](Cc1cncc(Br)c1)[C@H]1CCCc2ccccc21 ZINC000178396573 822375216 /nfs/dbraw/zinc/37/52/16/822375216.db2.gz GRGUMDUOWSXNQW-IBGZPJMESA-N 1 0 375.310 4.106 20 0 GIADRO CCCC[N@H+](C)CC1CCN(c2nnc([C@H]3CCCCO3)n2CC(C)C)CC1 ZINC000453482890 822376206 /nfs/dbraw/zinc/37/62/06/822376206.db2.gz SBDUYZUULKNWDD-HXUWFJFHSA-N 1 0 391.604 4.124 20 0 GIADRO C[C@H](NC(=O)c1ccccc1NC(=O)C(C)(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182840060 822376553 /nfs/dbraw/zinc/37/65/53/822376553.db2.gz VYXHVTUYPFZWKP-IRXDYDNUSA-N 1 0 385.552 4.054 20 0 GIADRO CSc1cccc(NC(=O)C[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)c1 ZINC000182851146 822378873 /nfs/dbraw/zinc/37/88/73/822378873.db2.gz IDULDUGJHAYPCK-AWEZNQCLSA-N 1 0 398.507 4.331 20 0 GIADRO C[C@@H]([NH2+]CCNC(=O)c1ccc(Br)cc1)c1ccc2ccccc2n1 ZINC000178441060 822379391 /nfs/dbraw/zinc/37/93/91/822379391.db2.gz KEIQNUUGNFENNH-CQSZACIVSA-N 1 0 398.304 4.078 20 0 GIADRO COc1cc(OC)cc(N2CC[C@@H](C[NH2+][C@@H](C)c3ccc4ccccc4n3)C2)c1 ZINC000178443767 822379503 /nfs/dbraw/zinc/37/95/03/822379503.db2.gz LYKKZBPBWKDKQW-ROUUACIJSA-N 1 0 391.515 4.429 20 0 GIADRO C[C@@H](NC(=O)N(Cc1ccc(F)cc1)CC1CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182863076 822381331 /nfs/dbraw/zinc/38/13/31/822381331.db2.gz WBTLIAPGLQFAQD-XLIONFOSSA-N 1 0 387.543 4.400 20 0 GIADRO C[C@@H]([NH2+]CC1(c2ccc3c(c2)OCCO3)CCCC1)c1ccc([S@](C)=O)cc1 ZINC000178462731 822381470 /nfs/dbraw/zinc/38/14/70/822381470.db2.gz NQQPAMBKWCYZMO-UULLZXFKSA-N 1 0 399.556 4.358 20 0 GIADRO C[C@@H](NC(=O)Nc1ccc(F)cc1Br)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182865710 822381832 /nfs/dbraw/zinc/38/18/32/822381832.db2.gz JXPGOJPVPJQVDD-CHWSQXEVSA-N 1 0 398.320 4.363 20 0 GIADRO C[C@H](NC(=O)Nc1ccc(F)cc1Br)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182865693 822381921 /nfs/dbraw/zinc/38/19/21/822381921.db2.gz JXPGOJPVPJQVDD-QWHCGFSZSA-N 1 0 398.320 4.363 20 0 GIADRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+][C@@H](C)CN1CCCC1=O ZINC000178493634 822385049 /nfs/dbraw/zinc/38/50/49/822385049.db2.gz FRHOQAJUBFQFLO-QWHCGFSZSA-N 1 0 377.941 4.433 20 0 GIADRO COc1cc([C@H](C)[NH2+]Cc2ccc(Cn3cccn3)cc2)ccc1OC(F)F ZINC000178502534 822385723 /nfs/dbraw/zinc/38/57/23/822385723.db2.gz OMHWQFNPSAVQOM-HNNXBMFYSA-N 1 0 387.430 4.392 20 0 GIADRO C[C@H]1C[N@H+](CC(c2ccccc2)c2ccccc2)CCN1C(=O)c1cscn1 ZINC000453570066 822385858 /nfs/dbraw/zinc/38/58/58/822385858.db2.gz CBXTZGKGEBRVMT-SFHVURJKSA-N 1 0 391.540 4.122 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)NCc2ccccc2OC(F)F)c1 ZINC000045411970 822385940 /nfs/dbraw/zinc/38/59/40/822385940.db2.gz HLQFNVVEHPQLOM-UHFFFAOYSA-N 1 0 391.462 4.129 20 0 GIADRO C[C@H](c1cc(F)ccc1F)N(C)C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182888999 822386770 /nfs/dbraw/zinc/38/67/70/822386770.db2.gz QMCMIPKVXLMWOX-ARFHVFGLSA-N 1 0 379.495 4.320 20 0 GIADRO CCOc1c(Br)cc(C[NH2+]C[C@H]2CCOC(C)(C)C2)cc1OC ZINC000453575152 822386787 /nfs/dbraw/zinc/38/67/87/822386787.db2.gz CTLOKNSDIOALTE-ZDUSSCGKSA-N 1 0 386.330 4.151 20 0 GIADRO COc1ccc(NC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c2cccnc12 ZINC000182889268 822386856 /nfs/dbraw/zinc/38/68/56/822386856.db2.gz QJNMEGIOISTVLS-HZPDHXFCSA-N 1 0 382.508 4.018 20 0 GIADRO COc1ccc2nc(C[NH+]3CCC4(CC3)OCCc3ccccc34)sc2c1 ZINC000453579781 822387806 /nfs/dbraw/zinc/38/78/06/822387806.db2.gz SHYSQZAEJYJZBU-UHFFFAOYSA-N 1 0 380.513 4.369 20 0 GIADRO COc1cc(NC(=O)C[NH2+][C@H](C)c2cc(C)cc(C)c2)c(OC)cc1Cl ZINC000182897275 822388257 /nfs/dbraw/zinc/38/82/57/822388257.db2.gz PQUYLPMHZMXFNA-CQSZACIVSA-N 1 0 376.884 4.263 20 0 GIADRO CC1(C)C[C@H](C[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)CCO1 ZINC000453583678 822388398 /nfs/dbraw/zinc/38/83/98/822388398.db2.gz PCVPIZZCVJVUPE-CYBMUJFWSA-N 1 0 378.314 4.134 20 0 GIADRO [NH3+]C[C@@H]1CCN(C(=O)c2oc3ccccc3c2COc2ccccc2Cl)C1 ZINC000178530556 822388445 /nfs/dbraw/zinc/38/84/45/822388445.db2.gz RLUISBQCAOTVQN-AWEZNQCLSA-N 1 0 384.863 4.086 20 0 GIADRO C[C@H](NC(=O)c1ccc(C(F)(F)F)nc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182898627 822388671 /nfs/dbraw/zinc/38/86/71/822388671.db2.gz KOLSFXPRERSZPR-RYUDHWBXSA-N 1 0 389.849 4.137 20 0 GIADRO COc1ccc(OCc2nc(C[NH2+]C[C@@H]3CCOC(C)(C)C3)cs2)cc1 ZINC000453585401 822388802 /nfs/dbraw/zinc/38/88/02/822388802.db2.gz SPBZSMOKGACRSJ-OAHLLOKOSA-N 1 0 376.522 4.026 20 0 GIADRO CC(=O)N(c1nc(C[NH2+]C[C@@H]2CCOC(C)(C)C2)cs1)c1ccc(C)cc1 ZINC000453586743 822389001 /nfs/dbraw/zinc/38/90/01/822389001.db2.gz VTWHLFJBWIXCBP-QGZVFWFLSA-N 1 0 387.549 4.431 20 0 GIADRO Cc1ccc(OC2CCN(C(=O)N[C@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)CC2)cc1 ZINC000182905842 822390202 /nfs/dbraw/zinc/39/02/02/822390202.db2.gz UIRZHKOKFBLBCI-WOJBJXKFSA-N 1 0 399.579 4.201 20 0 GIADRO C[C@H](NC(=O)N1CCc2c(Cl)cccc2C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182910132 822390854 /nfs/dbraw/zinc/39/08/54/822390854.db2.gz FPAKOGSHRVSJDN-JKSUJKDBSA-N 1 0 375.944 4.061 20 0 GIADRO C[C@H](NC(=O)N1CC=C(c2ccc(F)cc2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182910984 822391214 /nfs/dbraw/zinc/39/12/14/822391214.db2.gz DENWLTNJRUVUPL-PXNSSMCTSA-N 1 0 385.527 4.277 20 0 GIADRO Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@](O)(c2ccccc2)C(F)(F)F)c1C ZINC000178553600 822391356 /nfs/dbraw/zinc/39/13/56/822391356.db2.gz YPUXFIVNOPTWAG-MGPUTAFESA-N 1 0 394.437 4.060 20 0 GIADRO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]Cc1ccc([C@H](C)O)cc1 ZINC000178555054 822391556 /nfs/dbraw/zinc/39/15/56/822391556.db2.gz MMRDUPBTFNVPDI-KGLIPLIRSA-N 1 0 396.409 4.145 20 0 GIADRO COCCC[C@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1O)c1ccc(Br)cc1 ZINC000178570407 822392704 /nfs/dbraw/zinc/39/27/04/822392704.db2.gz WVOYMLUSWCLZAB-SLFFLAALSA-N 1 0 390.321 4.165 20 0 GIADRO COc1cccc([C@@H](CNC(=O)[C@H]2CCCc3ccccc32)[NH+]2CCCC2)c1 ZINC000045528275 822393532 /nfs/dbraw/zinc/39/35/32/822393532.db2.gz RYHDFIUXXXQAAU-XZOQPEGZSA-N 1 0 378.516 4.068 20 0 GIADRO COc1cc(C[N@@H+](Cc2cnn(C)c2)CC(C)C)ccc1OCc1ccncc1 ZINC000453615765 822393541 /nfs/dbraw/zinc/39/35/41/822393541.db2.gz GDRJRTBKFGWHFM-UHFFFAOYSA-N 1 0 394.519 4.061 20 0 GIADRO COc1cc(OC)c(OC)cc1C[NH2+][C@H](c1ccccc1)C1(CO)CCCC1 ZINC000453616295 822393557 /nfs/dbraw/zinc/39/35/57/822393557.db2.gz NODNOTOFSUDEHW-JOCHJYFZSA-N 1 0 385.504 4.096 20 0 GIADRO C[C@H](NC(=O)N(C)Cc1nc2ccccc2s1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182924479 822393664 /nfs/dbraw/zinc/39/36/64/822393664.db2.gz ZVAYHUVHBRVLHN-JKSUJKDBSA-N 1 0 386.565 4.091 20 0 GIADRO Cc1cc(C)n(-c2cccc(NC(=O)N[C@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)c2)n1 ZINC000182926107 822394286 /nfs/dbraw/zinc/39/42/86/822394286.db2.gz DGUWRVZSLIIRKX-MOPGFXCFSA-N 1 0 395.551 4.264 20 0 GIADRO O=C1OCCN1CCC[NH2+][C@@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21 ZINC000178590687 822394477 /nfs/dbraw/zinc/39/44/77/822394477.db2.gz PZJYVYIGNSCQBG-OAHLLOKOSA-N 1 0 391.924 4.273 20 0 GIADRO C[C@H]1CC[C@H](C[NH2+]Cc2cc(Br)ccc2OCc2ccccn2)O1 ZINC000453633706 822396151 /nfs/dbraw/zinc/39/61/51/822396151.db2.gz RTJKZCSOCHYQFD-KBXCAEBGSA-N 1 0 391.309 4.080 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)N1C[C@H](C)C[C@@H]1c1cccnc1)c1ccsc1 ZINC000182950004 822398499 /nfs/dbraw/zinc/39/84/99/822398499.db2.gz DCKCAAUIPWILAB-NSISKUIASA-N 1 0 386.565 4.319 20 0 GIADRO COc1ccc(CCC(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1F ZINC000045605675 822399340 /nfs/dbraw/zinc/39/93/40/822399340.db2.gz WWNHRNDDHXADJL-UHFFFAOYSA-N 1 0 384.495 4.069 20 0 GIADRO COCC[C@@H](C)Nc1ccccc1C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000182968896 822401507 /nfs/dbraw/zinc/40/15/07/822401507.db2.gz NOAZWJNFEUSXLP-QGZVFWFLSA-N 1 0 384.520 4.099 20 0 GIADRO CSc1ccc(Cl)c(C(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)c1 ZINC000178673400 822401585 /nfs/dbraw/zinc/40/15/85/822401585.db2.gz DATLYLIWWZWIIC-CQSZACIVSA-N 1 0 389.952 4.412 20 0 GIADRO C[C@@H]([NH2+]CC(C)(C)N1CCc2ccccc2C1)c1cccc(N2CCOC2=O)c1 ZINC000178682122 822402444 /nfs/dbraw/zinc/40/24/44/822402444.db2.gz NLIXWXIBQMVYPM-GOSISDBHSA-N 1 0 393.531 4.131 20 0 GIADRO COc1ccc([C@H](NC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)C(C)C)cc1 ZINC000045659378 822403275 /nfs/dbraw/zinc/40/32/75/822403275.db2.gz QRWCRDVZXYDPGW-RBUKOAKNSA-N 1 0 375.538 4.056 20 0 GIADRO Cc1cc(N2CCC([NH2+][C@H](C)c3ccc(C(F)(F)F)cc3)CC2)nc(C)n1 ZINC000178694983 822403404 /nfs/dbraw/zinc/40/34/04/822403404.db2.gz NZZQMDNIRMAWPR-CQSZACIVSA-N 1 0 378.442 4.432 20 0 GIADRO Cc1cc(N2CCC([NH2+][C@H](C)c3ccc(OC(F)(F)F)cc3)CC2)nc(C)n1 ZINC000178695663 822403652 /nfs/dbraw/zinc/40/36/52/822403652.db2.gz WNOYRAZVFIEHQB-CQSZACIVSA-N 1 0 394.441 4.312 20 0 GIADRO Cc1nccn1C[C@@H](C)C[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000178699636 822403841 /nfs/dbraw/zinc/40/38/41/822403841.db2.gz LPDBWQFKINFCMZ-GUYCJALGSA-N 1 0 378.314 4.094 20 0 GIADRO CCSCc1cccc(NC(=O)C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)c1 ZINC000453715968 822403961 /nfs/dbraw/zinc/40/39/61/822403961.db2.gz KZRXLFGYZMMPDB-FQEVSTJZSA-N 1 0 397.544 4.066 20 0 GIADRO Cc1cc(C(=O)CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c(C)n1CCc1cccs1 ZINC000178717722 822405227 /nfs/dbraw/zinc/40/52/27/822405227.db2.gz NDUGYABDWZKCOE-APWZRJJASA-N 1 0 387.593 4.006 20 0 GIADRO Cc1cc2cc(C(=O)NC3CC[NH+](C(C)C)CC3)oc2c(Br)c1 ZINC000182986083 822405395 /nfs/dbraw/zinc/40/53/95/822405395.db2.gz ZNDWQMJYRXSHLV-UHFFFAOYSA-N 1 0 379.298 4.106 20 0 GIADRO O=C(CC[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)Nc1cccc(Cl)c1 ZINC000045696849 822406094 /nfs/dbraw/zinc/40/60/94/822406094.db2.gz MFXWISJAIBAHKA-INIZCTEOSA-N 1 0 385.895 4.019 20 0 GIADRO c1coc([C@H](CNc2ncnc3c2cnn3-c2ccccc2)[NH+]2CCCCC2)c1 ZINC000045698805 822406132 /nfs/dbraw/zinc/40/61/32/822406132.db2.gz LTXWUDBJISDIGE-IBGZPJMESA-N 1 0 388.475 4.048 20 0 GIADRO COc1cc([C@H](C)[NH2+]Cc2ccc(-n3cncn3)cc2)ccc1SC(F)F ZINC000178743688 822406755 /nfs/dbraw/zinc/40/67/55/822406755.db2.gz SXVVRNQXNPIAFJ-ZDUSSCGKSA-N 1 0 390.459 4.441 20 0 GIADRO C[NH+](C)[C@H](CNC(=S)Nc1cccc(Br)c1)c1ccsc1 ZINC000045710414 822407038 /nfs/dbraw/zinc/40/70/38/822407038.db2.gz UFNOJLASMNMZLX-CQSZACIVSA-N 1 0 384.368 4.100 20 0 GIADRO C[NH+](C)[C@H](CNC(=S)Nc1ccc(OC(F)(F)F)cc1)c1ccsc1 ZINC000045710433 822407041 /nfs/dbraw/zinc/40/70/41/822407041.db2.gz IPPTVYRUTXFTDM-CQSZACIVSA-N 1 0 389.468 4.236 20 0 GIADRO Cc1ccc2nc(-c3ccc(NC(=O)C[N@H+](C)C[C@@H]4CCOC4)cc3)sc2c1 ZINC000178763759 822408131 /nfs/dbraw/zinc/40/81/31/822408131.db2.gz CORISQISUJZPIZ-INIZCTEOSA-N 1 0 395.528 4.179 20 0 GIADRO C[N@@H+](CC(=O)Nc1ccccc1Sc1ccc(Cl)cc1)C[C@@H]1CCOC1 ZINC000178778394 822408911 /nfs/dbraw/zinc/40/89/11/822408911.db2.gz WLQNCSVQMMREBM-HNNXBMFYSA-N 1 0 390.936 4.398 20 0 GIADRO Cc1c([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cc(F)ccc2C)cnn1-c1ccc(F)cc1 ZINC000183002679 822409121 /nfs/dbraw/zinc/40/91/21/822409121.db2.gz BZLNYYCWKGBRDT-HUUCEWRRSA-N 1 0 398.457 4.445 20 0 GIADRO C[C@H](Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1)c1ccc(F)c(Cl)c1 ZINC000183005446 822409632 /nfs/dbraw/zinc/40/96/32/822409632.db2.gz UDEVYJNIRFKOIA-ORAYPTAESA-N 1 0 375.875 4.102 20 0 GIADRO COC[C@H]([NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)c1ccc(F)c(F)c1 ZINC000183005771 822409896 /nfs/dbraw/zinc/40/98/96/822409896.db2.gz OMPVDIGFVNIHOM-JMLCCBQJSA-N 1 0 384.467 4.078 20 0 GIADRO C[C@@H](Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1)c1cccc(C(F)(F)F)c1 ZINC000183009142 822410657 /nfs/dbraw/zinc/41/06/57/822410657.db2.gz QXOUCUUZZAKPLI-AUUYWEPGSA-N 1 0 391.437 4.328 20 0 GIADRO COc1cc(C)c(NC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cc1OC ZINC000045756761 822410888 /nfs/dbraw/zinc/41/08/88/822410888.db2.gz UBUBVDKFKXKWHJ-UHFFFAOYSA-N 1 0 397.519 4.107 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc(Cl)s1)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000183013931 822411499 /nfs/dbraw/zinc/41/14/99/822411499.db2.gz ISUSZJHAQOTFLK-CHWSQXEVSA-N 1 0 391.924 4.206 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(CO)c(F)c1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000178801136 822411500 /nfs/dbraw/zinc/41/15/00/822411500.db2.gz TVJQIADJHYJOFK-HNAYVOBHSA-N 1 0 391.458 4.256 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(CO)c(F)c1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000178801116 822411510 /nfs/dbraw/zinc/41/15/10/822411510.db2.gz TVJQIADJHYJOFK-KXBFYZLASA-N 1 0 391.458 4.256 20 0 GIADRO COc1ccc2cc(CNC(=O)N3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)ccc2c1 ZINC000178804255 822412060 /nfs/dbraw/zinc/41/20/60/822412060.db2.gz PRIVEXGWMREHRC-NZQKXSOJSA-N 1 0 393.531 4.007 20 0 GIADRO C[N@H+](CCC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc([S@](C)=O)cc1 ZINC000178807926 822412412 /nfs/dbraw/zinc/41/24/12/822412412.db2.gz XGFVUONMFQUGSY-VWLOTQADSA-N 1 0 399.343 4.191 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)Nc2nnc(C(C)(C)C)s2)CC1 ZINC000183021159 822412629 /nfs/dbraw/zinc/41/26/29/822412629.db2.gz NBJIDOLMCLIRNZ-UHFFFAOYSA-N 1 0 381.590 4.202 20 0 GIADRO CSc1ncc(Cl)c(C(=O)Nc2cc(C[NH+]3CCCC3)ccc2C)n1 ZINC000178819503 822413723 /nfs/dbraw/zinc/41/37/23/822413723.db2.gz WYKWQSYLZNISRA-UHFFFAOYSA-N 1 0 376.913 4.008 20 0 GIADRO COc1cccc(CN(C)C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000045789466 822414066 /nfs/dbraw/zinc/41/40/66/822414066.db2.gz ODTHETLKVKBVAD-IBGZPJMESA-N 1 0 395.547 4.269 20 0 GIADRO CCN(Cc1ccccc1Cl)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000045794373 822414378 /nfs/dbraw/zinc/41/43/78/822414378.db2.gz NLWAJTIYOLWTAY-UHFFFAOYSA-N 1 0 389.927 4.012 20 0 GIADRO C[NH+](C)CCOc1ccc(CNC(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000045794417 822414394 /nfs/dbraw/zinc/41/43/94/822414394.db2.gz JGQFAYBMGOZJRQ-UHFFFAOYSA-N 1 0 382.291 4.256 20 0 GIADRO C[C@H](C(=O)Nc1ccccc1Cl)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000045806874 822415256 /nfs/dbraw/zinc/41/52/56/822415256.db2.gz IVFOWSXMCASAQA-QGZVFWFLSA-N 1 0 377.960 4.255 20 0 GIADRO Cc1cc(-c2cc(C(=O)N3CCC([C@@H](C)[NH3+])CC3)c3c(C)noc3n2)c(C)s1 ZINC000178838554 822415284 /nfs/dbraw/zinc/41/52/84/822415284.db2.gz NTAKKOOKMLHVFU-GFCCVEGCSA-N 1 0 398.532 4.076 20 0 GIADRO O=C(Cc1csc2ccc(Cl)cc12)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000178838896 822415317 /nfs/dbraw/zinc/41/53/17/822415317.db2.gz SWYMYJSCSVRVOB-UHFFFAOYSA-N 1 0 399.947 4.273 20 0 GIADRO CC(C)c1ccccc1NC(=O)[C@@H](C)[NH2+]Cc1ccccc1CN1CCCC1=O ZINC000045812270 822415470 /nfs/dbraw/zinc/41/54/70/822415470.db2.gz LUXLLTKPJOXKQT-GOSISDBHSA-N 1 0 393.531 4.049 20 0 GIADRO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1C ZINC000045812907 822415661 /nfs/dbraw/zinc/41/56/61/822415661.db2.gz IBLCYGNYPZMCJK-IRXDYDNUSA-N 1 0 379.504 4.330 20 0 GIADRO COc1cc([C@@H](C)[NH2+]Cc2cc(C(N)=O)cs2)ccc1OCCC(C)C ZINC000178844784 822415970 /nfs/dbraw/zinc/41/59/70/822415970.db2.gz UWEZPEFOUXHSRG-CQSZACIVSA-N 1 0 376.522 4.131 20 0 GIADRO COc1cc([C@H](C)[NH2+]Cc2cc(C(N)=O)cs2)ccc1OCCC(C)C ZINC000178844798 822416036 /nfs/dbraw/zinc/41/60/36/822416036.db2.gz UWEZPEFOUXHSRG-AWEZNQCLSA-N 1 0 376.522 4.131 20 0 GIADRO Cc1cc(C(=O)NC2CC[NH+](Cc3cn(C)nc3C3CCCCC3)CC2)c(C)o1 ZINC000183040602 822416083 /nfs/dbraw/zinc/41/60/83/822416083.db2.gz JJJKGWSOMGHSDQ-UHFFFAOYSA-N 1 0 398.551 4.072 20 0 GIADRO O=C(Cc1ccc(Cl)cc1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000045819270 822416505 /nfs/dbraw/zinc/41/65/05/822416505.db2.gz HYCPUZRCTMCYKL-LJQANCHMSA-N 1 0 377.315 4.489 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(C(F)(F)F)cc2)c1 ZINC000045820911 822416732 /nfs/dbraw/zinc/41/67/32/822416732.db2.gz ZFZUKQFSFCSCCU-CHWSQXEVSA-N 1 0 393.409 4.342 20 0 GIADRO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1 ZINC000183048278 822417190 /nfs/dbraw/zinc/41/71/90/822417190.db2.gz XQLPYOADVVSINX-PWHSHALESA-N 1 0 391.559 4.349 20 0 GIADRO Cn1c(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)nc2cc(Cl)ccc21 ZINC000178890350 822419356 /nfs/dbraw/zinc/41/93/56/822419356.db2.gz AEWPXCZJGAHRDF-NRFANRHFSA-N 1 0 383.879 4.239 20 0 GIADRO Cc1cc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c(C)n1CC(F)(F)F ZINC000045861204 822419546 /nfs/dbraw/zinc/41/95/46/822419546.db2.gz AZJQCMBOXCAPRV-KRWDZBQOSA-N 1 0 397.441 4.217 20 0 GIADRO COc1ccc([C@@H](C)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)cc1OC ZINC000183072506 822420714 /nfs/dbraw/zinc/42/07/14/822420714.db2.gz UOHXSOORPRAMQX-QGZVFWFLSA-N 1 0 384.520 4.081 20 0 GIADRO CCN(CC)C(=O)[C@H](c1ccccc1)[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000045914071 822423417 /nfs/dbraw/zinc/42/34/17/822423417.db2.gz VHHSKFZIQUAEEL-GOTSBHOMSA-N 1 0 380.532 4.042 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2cn(C)nc2C2CCCCC2)C1)CC(F)(F)F ZINC000183108955 822425606 /nfs/dbraw/zinc/42/56/06/822425606.db2.gz YOQJMPZRLVVUNM-INIZCTEOSA-N 1 0 386.506 4.174 20 0 GIADRO C[NH2+]C[C@H]1CCN(C(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc32)C1 ZINC000178980515 822426064 /nfs/dbraw/zinc/42/60/64/822426064.db2.gz ZYFMRQUGPUYAPC-CYBMUJFWSA-N 1 0 385.920 4.298 20 0 GIADRO c1ccc(N2CCOCC2)c(C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)c1 ZINC000178983565 822426205 /nfs/dbraw/zinc/42/62/05/822426205.db2.gz INEUOWVQPVYZGN-JOCHJYFZSA-N 1 0 378.516 4.015 20 0 GIADRO C[C@H]1CCC[N@H+](CCCCNC(=O)Nc2ccc(Br)cc2F)C1 ZINC000045957580 822426916 /nfs/dbraw/zinc/42/69/16/822426916.db2.gz BUQFVAHPDMWACU-ZDUSSCGKSA-N 1 0 386.309 4.222 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CCC[C@@H]1c1ccsc1 ZINC000045975921 822428390 /nfs/dbraw/zinc/42/83/90/822428390.db2.gz WROVUVHUNSKXBU-HXUWFJFHSA-N 1 0 384.549 4.177 20 0 GIADRO O=C1O[C@H](C[NH+]2CCC(Oc3ccccc3Cl)CC2)CN1c1ccccc1 ZINC000179008718 822429444 /nfs/dbraw/zinc/42/94/44/822429444.db2.gz CURWFGSSWXJRAF-GOSISDBHSA-N 1 0 386.879 4.209 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cc(C)ccc2C)cc1 ZINC000183142715 822430262 /nfs/dbraw/zinc/43/02/62/822430262.db2.gz GHZZJCLMIOSRGN-ROUUACIJSA-N 1 0 376.504 4.475 20 0 GIADRO C[C@@H](CCNC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)[NH+]1CCCCC1 ZINC000183143772 822430555 /nfs/dbraw/zinc/43/05/55/822430555.db2.gz YJCHZSNDYHDTNO-INIZCTEOSA-N 1 0 389.927 4.308 20 0 GIADRO C[NH2+]C[C@H]1CCN(C(=O)c2cc(Cl)ccc2Oc2cccc(Cl)c2)C1 ZINC000179020107 822430579 /nfs/dbraw/zinc/43/05/79/822430579.db2.gz MRWAIYHJCOMMOZ-CYBMUJFWSA-N 1 0 379.287 4.467 20 0 GIADRO CCCC[C@H]([NH2+]C1CCC(OC)CC1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000183145643 822430980 /nfs/dbraw/zinc/43/09/80/822430980.db2.gz NWVGKWBHTLSOOL-UDJZJCJKSA-N 1 0 387.568 4.331 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc3ncccc32)cc1 ZINC000183152961 822432196 /nfs/dbraw/zinc/43/21/96/822432196.db2.gz ALHSHBHMPGMYGH-SJORKVTESA-N 1 0 399.498 4.407 20 0 GIADRO CCc1cccc(C)c1NC(=O)C[NH2+][C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000183157791 822433119 /nfs/dbraw/zinc/43/31/19/822433119.db2.gz XNAIHJPPHJOBHM-KRWDZBQOSA-N 1 0 376.504 4.341 20 0 GIADRO O=C1C[C@H](C[NH2+]Cc2cccc(OC3CCCC3)c2)CN1Cc1ccccc1 ZINC000179051523 822433656 /nfs/dbraw/zinc/43/36/56/822433656.db2.gz VAOFFMLYSAMFFO-OAQYLSRUSA-N 1 0 378.516 4.146 20 0 GIADRO O=C1C[C@H](C[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)CN1Cc1ccccc1 ZINC000179054236 822433898 /nfs/dbraw/zinc/43/38/98/822433898.db2.gz VCLNMMQZJXMFIS-GOSISDBHSA-N 1 0 378.447 4.224 20 0 GIADRO O=C1C[C@@H](C[NH2+]Cc2ccc(-c3c(F)cccc3F)o2)CN1Cc1ccccc1 ZINC000179053993 822433934 /nfs/dbraw/zinc/43/39/34/822433934.db2.gz HGFTUFKCRWOJJK-KRWDZBQOSA-N 1 0 396.437 4.363 20 0 GIADRO C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000454158656 822434041 /nfs/dbraw/zinc/43/40/41/822434041.db2.gz DDXKYJJYBJJNNE-QAPCUYQASA-N 1 0 383.458 4.155 20 0 GIADRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)[C@H](C)c1ccccc1 ZINC000183169837 822434746 /nfs/dbraw/zinc/43/47/46/822434746.db2.gz BZCYRAQSWITMFV-DENIHFKCSA-N 1 0 388.515 4.381 20 0 GIADRO Cc1cc(N(C)C)ccc1NC(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000046015303 822435155 /nfs/dbraw/zinc/43/51/55/822435155.db2.gz PINHZVFZCCNCKF-UHFFFAOYSA-N 1 0 380.536 4.019 20 0 GIADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2coc3ccccc23)cc1 ZINC000179079431 822436138 /nfs/dbraw/zinc/43/61/38/822436138.db2.gz TXMPNRYTQHCATA-INIZCTEOSA-N 1 0 386.517 4.314 20 0 GIADRO CCOC(=O)C[C@@H](C)[N@H+](C)Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000183182268 822437016 /nfs/dbraw/zinc/43/70/16/822437016.db2.gz STODGSNDEVNJLY-OAHLLOKOSA-N 1 0 388.895 4.366 20 0 GIADRO COCc1ccccc1NC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000046031290 822437138 /nfs/dbraw/zinc/43/71/38/822437138.db2.gz FAKTYQWZVPQRGF-UHFFFAOYSA-N 1 0 381.520 4.387 20 0 GIADRO O=C(c1nc2cc(Cl)ccc2s1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000454208240 822439083 /nfs/dbraw/zinc/43/90/83/822439083.db2.gz LWMXWDOSPGZNPP-MLGOLLRUSA-N 1 0 375.925 4.039 20 0 GIADRO CCOc1ccc([C@@H](C)NC(=O)C[NH2+][C@H](c2ccccc2)C2CC2)cc1OC ZINC000179108716 822439190 /nfs/dbraw/zinc/43/91/90/822439190.db2.gz OILKZVDPKFULKM-WAIKUNEKSA-N 1 0 382.504 4.012 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000454211422 822439298 /nfs/dbraw/zinc/43/92/98/822439298.db2.gz LYWLYOHZKAFTAO-YADHBBJMSA-N 1 0 399.579 4.019 20 0 GIADRO Cc1cc(OC[C@@H](O)C[N@H+](C[C@@H]2CCOC2)C2CC2)c(C(C)C)cc1Cl ZINC000046092555 822440782 /nfs/dbraw/zinc/44/07/82/822440782.db2.gz QNTKVBPKBYXSKS-WMZOPIPTSA-N 1 0 381.944 4.012 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)N[C@H]([C@H](CO)C1CC1)C1CC1)C1CCCCC1 ZINC000454226908 822440891 /nfs/dbraw/zinc/44/08/91/822440891.db2.gz LOPJQKDBCVTWCN-GGAORHGYSA-N 1 0 399.579 4.370 20 0 GIADRO C[C@@H](NC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)c1cc[nH]c(=O)c1 ZINC000454225667 822440902 /nfs/dbraw/zinc/44/09/02/822440902.db2.gz JKJFWVSRLZMQJB-MRXNPFEDSA-N 1 0 382.508 4.434 20 0 GIADRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)NCCC[C@@H]2CCOC2)cc1 ZINC000454227472 822441006 /nfs/dbraw/zinc/44/10/06/822441006.db2.gz MJRMEOJZXQDDGC-HXUWFJFHSA-N 1 0 395.547 4.031 20 0 GIADRO CC[NH+](CC)CCOc1ccc(CNC(=O)N2CC[C@H]2c2ccccc2)cc1 ZINC000046104981 822441321 /nfs/dbraw/zinc/44/13/21/822441321.db2.gz HFHUTZNPQQVLAC-QFIPXVFZSA-N 1 0 381.520 4.064 20 0 GIADRO O=C(Nc1ccc(Br)cc1Cl)NC1CC[NH+](C2CCC2)CC1 ZINC000454246080 822442911 /nfs/dbraw/zinc/44/29/11/822442911.db2.gz BMFGRKRDPBYSGQ-UHFFFAOYSA-N 1 0 386.721 4.241 20 0 GIADRO O=C(Nc1nc2c(s1)CCCC2)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000179147995 822443748 /nfs/dbraw/zinc/44/37/48/822443748.db2.gz UTKHXRXJWQLNPY-UHFFFAOYSA-N 1 0 376.570 4.142 20 0 GIADRO C[C@H]1C[C@@H](C(F)(F)F)CCN1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000454259573 822445025 /nfs/dbraw/zinc/44/50/25/822445025.db2.gz GYOARCSNFNIHLO-WMZOPIPTSA-N 1 0 397.485 4.066 20 0 GIADRO O=C(Nc1cccc(-c2ncco2)c1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000179161218 822445885 /nfs/dbraw/zinc/44/58/85/822445885.db2.gz UVBDJCWFMCBXEK-UHFFFAOYSA-N 1 0 390.487 4.170 20 0 GIADRO CCOc1ccc(C(=O)N2CCC([NH2+][C@H](C)c3cccc(F)c3F)CC2)cc1 ZINC000183238756 822446571 /nfs/dbraw/zinc/44/65/71/822446571.db2.gz GXAFDPMUKPUSTM-OAHLLOKOSA-N 1 0 388.458 4.319 20 0 GIADRO COc1cc(Br)c(CN(C)C[C@@H](C)c2nccs2)c(OC)c1 ZINC000183250130 822448417 /nfs/dbraw/zinc/44/84/17/822448417.db2.gz FPAGZBFAKAGTBO-LLVKDONJSA-N 1 0 385.327 4.158 20 0 GIADRO C[C@H](C[N@H+](C)Cc1cc(Br)c2c(c1)OCCCO2)c1nccs1 ZINC000183253694 822448838 /nfs/dbraw/zinc/44/88/38/822448838.db2.gz SQNVPHHTVOHKPE-GFCCVEGCSA-N 1 0 397.338 4.302 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)NCc2cnc(C3CC3)o2)C1 ZINC000454277320 822448943 /nfs/dbraw/zinc/44/89/43/822448943.db2.gz VQWRMNBLYWIZIF-CALCHBBNSA-N 1 0 396.535 4.029 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCCN(Cc2ccccc2)C1)c1ncc(Br)s1 ZINC000179202964 822450321 /nfs/dbraw/zinc/45/03/21/822450321.db2.gz MOARWHXGMONISR-UKRRQHHQSA-N 1 0 380.355 4.221 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CC(c2ccc(Cl)cc2)C1 ZINC000454283435 822450775 /nfs/dbraw/zinc/45/07/75/822450775.db2.gz XVAUNKLPGOWDEK-UHFFFAOYSA-N 1 0 398.938 4.032 20 0 GIADRO Cc1nnc(-c2ccccc2C(=O)OC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)o1 ZINC000183271987 822451761 /nfs/dbraw/zinc/45/17/61/822451761.db2.gz WVFVBDXSGMMHEG-LJQANCHMSA-N 1 0 391.471 4.114 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1cccc(Br)c1Cl ZINC000183274009 822451960 /nfs/dbraw/zinc/45/19/60/822451960.db2.gz FIMSHTZYERTAHS-ZDUSSCGKSA-N 1 0 387.749 4.487 20 0 GIADRO Fc1ccc(COc2cccc(C[N@@H+]3CCOCC4(CCOCC4)C3)c2)cc1 ZINC000183275335 822452342 /nfs/dbraw/zinc/45/23/42/822452342.db2.gz WGLBTUSBPBIYOA-UHFFFAOYSA-N 1 0 385.479 4.034 20 0 GIADRO C[C@@H]([NH2+]C[C@H](C)N1CCc2sccc2C1)c1ncc(Br)s1 ZINC000179215713 822452594 /nfs/dbraw/zinc/45/25/94/822452594.db2.gz SVQQDQNSFRHQAA-WDEREUQCSA-N 1 0 386.384 4.065 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)N2CC[C@H](C(F)(F)F)C[C@@H]2C)CC1 ZINC000454292478 822452781 /nfs/dbraw/zinc/45/27/81/822452781.db2.gz BXVBFRVAYVGRBD-HOTGVXAUSA-N 1 0 398.473 4.023 20 0 GIADRO COCc1cccc(C[N@@H+]2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)c1 ZINC000179235800 822455404 /nfs/dbraw/zinc/45/54/04/822455404.db2.gz PCHLIEJJGAKWAS-LJQANCHMSA-N 1 0 385.483 4.006 20 0 GIADRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1cccnc1C(F)(F)F ZINC000179258945 822458255 /nfs/dbraw/zinc/45/82/55/822458255.db2.gz TVPYKHGTSOWSNT-UHFFFAOYSA-N 1 0 395.450 4.210 20 0 GIADRO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@@H]1CCCOCC1 ZINC000183339406 822460918 /nfs/dbraw/zinc/46/09/18/822460918.db2.gz TVKDFKMPTKGUQD-VXGBXAGGSA-N 1 0 378.822 4.235 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)Cc1nc2ccccc2s1)[C@H](C)c1ccccc1 ZINC000183343886 822461439 /nfs/dbraw/zinc/46/14/39/822461439.db2.gz KAMPFMWASGOKFL-BBWFWOEESA-N 1 0 381.545 4.425 20 0 GIADRO C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000046334781 822462103 /nfs/dbraw/zinc/46/21/03/822462103.db2.gz HJVFIUVAEMSADD-MRXNPFEDSA-N 1 0 389.540 4.303 20 0 GIADRO COC(=O)[C@H](C)Sc1ccccc1C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000183358516 822463365 /nfs/dbraw/zinc/46/33/65/822463365.db2.gz HSNNEEKSFOMQKD-INIZCTEOSA-N 1 0 398.528 4.188 20 0 GIADRO COc1ccc(COC[C@H](O)C[N@@H+]2CCC[C@@H]2c2nc3ccccc3s2)cc1 ZINC000046344448 822463865 /nfs/dbraw/zinc/46/38/65/822463865.db2.gz RNOAEEJULAHRRK-YLJYHZDGSA-N 1 0 398.528 4.020 20 0 GIADRO CCOc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2c2nc3ccccc3s2)cc1 ZINC000046344456 822464047 /nfs/dbraw/zinc/46/40/47/822464047.db2.gz KIHCVEKSICMYES-OXQOHEQNSA-N 1 0 398.528 4.272 20 0 GIADRO C[C@@H](c1nc2ccccc2s1)N(C)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000046346762 822464369 /nfs/dbraw/zinc/46/43/69/822464369.db2.gz PUMIMTSTYBQUCT-XJKSGUPXSA-N 1 0 388.562 4.363 20 0 GIADRO C[C@@H](c1nc2ccccc2s1)N(C)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000046346758 822464378 /nfs/dbraw/zinc/46/43/78/822464378.db2.gz PUMIMTSTYBQUCT-BBRMVZONSA-N 1 0 388.562 4.363 20 0 GIADRO CCN(C(=O)NC[C@@H](c1ccsc1)[NH+](C)C)[C@@H](C)c1cccc(OC)c1 ZINC000046346968 822464432 /nfs/dbraw/zinc/46/44/32/822464432.db2.gz YUHSRNYCBLAPOF-KXBFYZLASA-N 1 0 375.538 4.152 20 0 GIADRO C[C@H](c1nc2ccccc2s1)N(C)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000046346764 822464442 /nfs/dbraw/zinc/46/44/42/822464442.db2.gz PUMIMTSTYBQUCT-CZUORRHYSA-N 1 0 388.562 4.363 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Nc1cccc(OCc2cccnc2)c1)c1ccsc1 ZINC000046346181 822464473 /nfs/dbraw/zinc/46/44/73/822464473.db2.gz NQZZNMRWOMITAA-FQEVSTJZSA-N 1 0 396.516 4.147 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1c(F)c(F)c(F)c(F)c1F)[C@H](C)c1ccccc1 ZINC000183369029 822464756 /nfs/dbraw/zinc/46/47/56/822464756.db2.gz OHRBXGDSCGKDOX-AXFHLTTASA-N 1 0 386.364 4.491 20 0 GIADRO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)[NH2+][C@@H](C)c1ccccn1 ZINC000183376384 822465782 /nfs/dbraw/zinc/46/57/82/822465782.db2.gz OBDYCPIFVFQBER-OCCSQVGLSA-N 1 0 389.521 4.005 20 0 GIADRO CCCCNC(=O)C1CC[NH+](Cc2ccc(-c3c(F)cccc3F)o2)CC1 ZINC000179330214 822467175 /nfs/dbraw/zinc/46/71/75/822467175.db2.gz WXVMIPCGNWUOMK-UHFFFAOYSA-N 1 0 376.447 4.353 20 0 GIADRO COCc1c(C(=O)NCc2cccc(C[NH+](C)C)c2)sc2cccc(F)c21 ZINC000046380068 822467576 /nfs/dbraw/zinc/46/75/76/822467576.db2.gz FCEZWDZSJHEHCH-UHFFFAOYSA-N 1 0 386.492 4.178 20 0 GIADRO O=C(c1cccc(C[N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)c1)N1CCCCC1 ZINC000183398590 822468201 /nfs/dbraw/zinc/46/82/01/822468201.db2.gz RUVMRZPIQVELQT-JOCHJYFZSA-N 1 0 382.479 4.105 20 0 GIADRO CC[C@@H](C)c1ccccc1OCC(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000046404052 822470312 /nfs/dbraw/zinc/47/03/12/822470312.db2.gz YIKSGAUAXXKRMQ-LJQANCHMSA-N 1 0 395.547 4.360 20 0 GIADRO C[N@@H+]1CCCN(c2ccc(NC(=O)c3csc(-c4cccs4)n3)cc2)CC1 ZINC000046404382 822470636 /nfs/dbraw/zinc/47/06/36/822470636.db2.gz IOZWULOENMDHKF-UHFFFAOYSA-N 1 0 398.557 4.266 20 0 GIADRO CSCC1CCC(NC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000454409678 822470800 /nfs/dbraw/zinc/47/08/00/822470800.db2.gz DGTMIGUATMLLOY-LXPRWKDFSA-N 1 0 395.638 4.181 20 0 GIADRO C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(Cl)nc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179363611 822471793 /nfs/dbraw/zinc/47/17/93/822471793.db2.gz INYYEPVHLJUIHZ-SJCJKPOMSA-N 1 0 397.281 4.342 20 0 GIADRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)N2CCC(c3nc4ccccc4o3)CC2)C1 ZINC000046427332 822472290 /nfs/dbraw/zinc/47/22/90/822472290.db2.gz XFWLRPZJNJIWEQ-ROUUACIJSA-N 1 0 398.551 4.085 20 0 GIADRO Cc1cc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(N3CCCC3=O)c2)c(C)s1 ZINC000179372014 822472916 /nfs/dbraw/zinc/47/29/16/822472916.db2.gz YMMAROBAQWUQOH-LSDHHAIUSA-N 1 0 385.533 4.170 20 0 GIADRO Cc1cc([C@H](C)[NH2+][C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)c(C)s1 ZINC000179375914 822473428 /nfs/dbraw/zinc/47/34/28/822473428.db2.gz YAGNDLYCZLBROQ-SOUVJXGZSA-N 1 0 388.533 4.053 20 0 GIADRO Cc1ccc([C@H](CNC(=O)N2CC3(CCC3)[C@H]2c2ccco2)[NH+]2CCCC2)o1 ZINC000454425416 822473522 /nfs/dbraw/zinc/47/35/22/822473522.db2.gz IHQZTURJVNASEP-FXAWDEMLSA-N 1 0 383.492 4.255 20 0 GIADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@@H]2c3ccccc3CC[C@H]2C)CC1 ZINC000179383896 822474689 /nfs/dbraw/zinc/47/46/89/822474689.db2.gz KYRKJRMFKMUJEZ-STSQHVNTSA-N 1 0 392.547 4.230 20 0 GIADRO Cc1ccc(-c2n[nH]cc2C[NH+]2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)o1 ZINC000179387893 822475275 /nfs/dbraw/zinc/47/52/75/822475275.db2.gz JYRFEYWXQGAFFE-OAHLLOKOSA-N 1 0 388.512 4.103 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)Nc1c(F)cc(F)cc1F ZINC000179394066 822476432 /nfs/dbraw/zinc/47/64/32/822476432.db2.gz BUPITGUKWVOSMM-UHFFFAOYSA-N 1 0 392.425 4.269 20 0 GIADRO CCOc1cc(C[NH2+][C@H](C)c2cnc3cc(C)nn3c2C)ccc1OC(F)F ZINC000179400453 822477289 /nfs/dbraw/zinc/47/72/89/822477289.db2.gz KCHCCIJSNGFYKT-CYBMUJFWSA-N 1 0 390.434 4.197 20 0 GIADRO CN(C)S(=O)(=O)c1ccc(C[NH2+][C@@H](c2cccs2)C2CCCC2)cc1 ZINC000179404668 822478009 /nfs/dbraw/zinc/47/80/09/822478009.db2.gz OFLILROLKLFGIM-LJQANCHMSA-N 1 0 378.563 4.020 20 0 GIADRO Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)NCCCC[N@@H+](C)C1CC1 ZINC000454453426 822478097 /nfs/dbraw/zinc/47/80/97/822478097.db2.gz LFSWEQZGMIPTKJ-UHFFFAOYSA-N 1 0 394.519 4.243 20 0 GIADRO C[C@@H]([NH2+]CC1(c2cccc(Br)c2)CCOCC1)c1nccs1 ZINC000179412581 822479040 /nfs/dbraw/zinc/47/90/40/822479040.db2.gz OSITXCAJQYPARM-CYBMUJFWSA-N 1 0 381.339 4.305 20 0 GIADRO Cc1cc2ncc([C@H](C)[NH2+]CCOc3ccc(C(F)(F)F)cc3)c(C)n2n1 ZINC000179412367 822479050 /nfs/dbraw/zinc/47/90/50/822479050.db2.gz YQIOIVUWRZAHPQ-ZDUSSCGKSA-N 1 0 378.398 4.095 20 0 GIADRO Cc1cc2ncc([C@H](C)[NH2+]CCOc3cccc(C(F)(F)F)c3)c(C)n2n1 ZINC000179412341 822479079 /nfs/dbraw/zinc/47/90/79/822479079.db2.gz TYWZTLIPSFSLBK-ZDUSSCGKSA-N 1 0 378.398 4.095 20 0 GIADRO CC(C)(C)Oc1c(F)cc(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1F ZINC000183467886 822479401 /nfs/dbraw/zinc/47/94/01/822479401.db2.gz BMUOOTPVFIGLGI-CQSZACIVSA-N 1 0 381.467 4.092 20 0 GIADRO C[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)Cc1cc(Cl)cc2cccnc21 ZINC000046514406 822479988 /nfs/dbraw/zinc/47/99/88/822479988.db2.gz BYZPLXLPMJFNNS-UHFFFAOYSA-N 1 0 379.891 4.412 20 0 GIADRO Cc1cc2ncc([C@@H](C)[NH2+]Cc3ccnc(O[C@H](C)CC(C)C)c3)c(C)n2n1 ZINC000179427746 822480979 /nfs/dbraw/zinc/48/09/79/822480979.db2.gz AGQDKCBICQJFLE-IAGOWNOFSA-N 1 0 381.524 4.405 20 0 GIADRO O=C(NC[C@@H]1CCCCC1(F)F)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000454476289 822481207 /nfs/dbraw/zinc/48/12/07/822481207.db2.gz BDLSQPWZZJYZQR-UMQXSMKFSA-N 1 0 391.506 4.307 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@H](C)c1nc2c(s1)CCCC2 ZINC000179441227 822483335 /nfs/dbraw/zinc/48/33/35/822483335.db2.gz BNXJAPYURXGQES-GFCCVEGCSA-N 1 0 393.940 4.363 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)c1cc2cc(Cl)ccc2[nH]1)[NH+]1CCCC1 ZINC000046541827 822484630 /nfs/dbraw/zinc/48/46/30/822484630.db2.gz GABGWABYQDUXJX-FQEVSTJZSA-N 1 0 397.906 4.397 20 0 GIADRO Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)NC(C)(C)CCC[NH+](C)C ZINC000454495632 822484641 /nfs/dbraw/zinc/48/46/41/822484641.db2.gz QPYLXHCUDRDSHP-UHFFFAOYSA-N 1 0 396.535 4.489 20 0 GIADRO C[C@@H]([NH2+]CCc1coc(-c2ccc(F)cc2)n1)c1cccc(N2CCOC2=O)c1 ZINC000179453444 822485188 /nfs/dbraw/zinc/48/51/88/822485188.db2.gz UGNDLNJYIIAHOQ-OAHLLOKOSA-N 1 0 395.434 4.331 20 0 GIADRO C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000179456447 822485826 /nfs/dbraw/zinc/48/58/26/822485826.db2.gz HMPLYQKAXUFFKE-INIZCTEOSA-N 1 0 381.451 4.054 20 0 GIADRO CC[C@H]1C[N@H+](CC)CCN1C(=O)Nc1cc(NC(=O)c2ccccc2)ccc1C ZINC000454501243 822485926 /nfs/dbraw/zinc/48/59/26/822485926.db2.gz XPTVFFLXIFPAHD-FQEVSTJZSA-N 1 0 394.519 4.195 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)N1C[C@@H](C)C[C@H]1c1cccnc1 ZINC000183501528 822486716 /nfs/dbraw/zinc/48/67/16/822486716.db2.gz UEHWLNUDIGHTFG-RXVVDRJESA-N 1 0 396.535 4.417 20 0 GIADRO C[C@@H]([NH2+]C[C@H](C)c1nc(-c2ccccc2)no1)c1ccc(N2CCOC2=O)cc1 ZINC000179477734 822488133 /nfs/dbraw/zinc/48/81/33/822488133.db2.gz BPPVISMEYDPHRS-JKSUJKDBSA-N 1 0 392.459 4.148 20 0 GIADRO CC[C@@H]([NH2+]C[C@H](C)c1nc(-c2ccccc2)no1)c1ccc2c(c1)OCCO2 ZINC000179478519 822488304 /nfs/dbraw/zinc/48/83/04/822488304.db2.gz KHXQLFKEBCSXFA-MAUKXSAKSA-N 1 0 379.460 4.352 20 0 GIADRO C[C@@H]([NH2+]C[C@H](C)c1nc(-c2ccccc2)no1)c1cccc(N2CCCC2=O)c1 ZINC000179478467 822488391 /nfs/dbraw/zinc/48/83/91/822488391.db2.gz FTVUPNDVDVJZOE-DLBZAZTESA-N 1 0 390.487 4.318 20 0 GIADRO COc1ccc([C@H](C)[NH2+]C[C@@H](C)c2nc(-c3ccccc3)no2)cc1NC(C)=O ZINC000179478629 822488526 /nfs/dbraw/zinc/48/85/26/822488526.db2.gz AEVABOLTXWXPGK-CABCVRRESA-N 1 0 394.475 4.158 20 0 GIADRO Cc1cccnc1[C@H](NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1)C(C)C ZINC000454515845 822489088 /nfs/dbraw/zinc/48/90/88/822489088.db2.gz PAAILVVIPNYURI-DENIHFKCSA-N 1 0 394.563 4.251 20 0 GIADRO Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000046593635 822489427 /nfs/dbraw/zinc/48/94/27/822489427.db2.gz LTOHMKODIPZFGX-LSDHHAIUSA-N 1 0 379.570 4.034 20 0 GIADRO CCCc1ncc(CNC(=O)NCc2ccccc2C[NH+]2CCCCCC2)o1 ZINC000454517760 822489505 /nfs/dbraw/zinc/48/95/05/822489505.db2.gz XBFSQPSEFZMXLU-UHFFFAOYSA-N 1 0 384.524 4.003 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCC[C@@]3(CCSC3)C2)CC1 ZINC000454519017 822489924 /nfs/dbraw/zinc/48/99/24/822489924.db2.gz OBKKMTGJJFKFBV-PGRDOPGGSA-N 1 0 387.593 4.141 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H]2CCCN(Cc3ccccc3)C2=O)cc1 ZINC000179495947 822491034 /nfs/dbraw/zinc/49/10/34/822491034.db2.gz MFOVERJEXBHLBH-MBSDFSHPSA-N 1 0 388.515 4.023 20 0 GIADRO O=C1C[C@@H](C[NH2+][C@H]2CCc3c2cccc3Br)CN1Cc1ccccc1 ZINC000179496875 822491197 /nfs/dbraw/zinc/49/11/97/822491197.db2.gz IVJZSAJXYXZAJU-JXFKEZNVSA-N 1 0 399.332 4.075 20 0 GIADRO C[C@H]([NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1ccc(-n2cccn2)cc1 ZINC000183538932 822491897 /nfs/dbraw/zinc/49/18/97/822491897.db2.gz PZQUGDIDQLVCDQ-HKUYNNGSSA-N 1 0 384.524 4.313 20 0 GIADRO O=C(OCC1CC[NH+](Cc2ccccc2)CC1)c1ncccc1C(F)(F)F ZINC000183540405 822492223 /nfs/dbraw/zinc/49/22/23/822492223.db2.gz XAKMMPIVDBWSGC-UHFFFAOYSA-N 1 0 378.394 4.169 20 0 GIADRO COc1ccc(C[C@H](C)C[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)cc1OC ZINC000179507888 822493221 /nfs/dbraw/zinc/49/32/21/822493221.db2.gz XVSVDNDZBKOCIS-DLBZAZTESA-N 1 0 398.503 4.190 20 0 GIADRO C[NH+](C)CCOc1cc(CN[C@H](c2ccccc2)c2ccc(F)cc2)ccn1 ZINC000179511525 822493684 /nfs/dbraw/zinc/49/36/84/822493684.db2.gz SVORVCGHTKLMKO-HSZRJFAPSA-N 1 0 379.479 4.040 20 0 GIADRO COc1ccccc1OC[C@H](C)C[NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000179512293 822493953 /nfs/dbraw/zinc/49/39/53/822493953.db2.gz QQZNZAHFKKWLLR-IAGOWNOFSA-N 1 0 384.476 4.018 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)Cn1ncc2ccccc2c1=O)c1ccccc1OC(F)F ZINC000179513777 822494081 /nfs/dbraw/zinc/49/40/81/822494081.db2.gz XWULHHFONQZQDH-KSSFIOAISA-N 1 0 387.430 4.127 20 0 GIADRO Cc1c2ccccc2oc1[C@@H](C)[NH2+]CC(=O)Nc1ccnn1Cc1cccs1 ZINC000183559009 822494603 /nfs/dbraw/zinc/49/46/03/822494603.db2.gz YATQDUXHVGVNBE-OAHLLOKOSA-N 1 0 394.500 4.337 20 0 GIADRO CC(C)COc1ccc([C@H](C)[NH2+][C@H](C)Cn2ncc3ccccc3c2=O)cc1 ZINC000179515559 822494631 /nfs/dbraw/zinc/49/46/31/822494631.db2.gz MQADUBHVTSWHDQ-MSOLQXFVSA-N 1 0 379.504 4.171 20 0 GIADRO CC[C@@H]([NH2+][C@H](C)Cn1ncc2ccccc2c1=O)c1ccc(OC(F)F)cc1 ZINC000179516437 822494880 /nfs/dbraw/zinc/49/48/80/822494880.db2.gz JWGKNXRAUZTZNC-AUUYWEPGSA-N 1 0 387.430 4.127 20 0 GIADRO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@H](C)c1cccc(-c2ccncc2)c1 ZINC000179516982 822495151 /nfs/dbraw/zinc/49/51/51/822495151.db2.gz BNPFTRUEYFWKFD-QZTJIDSGSA-N 1 0 384.483 4.198 20 0 GIADRO Cc1cccnc1CCCNC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000454553782 822496026 /nfs/dbraw/zinc/49/60/26/822496026.db2.gz MPCXRNBFJYAXBM-UHFFFAOYSA-N 1 0 380.536 4.173 20 0 GIADRO CCn1nc(C)c(NC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)c1C ZINC000179521517 822496292 /nfs/dbraw/zinc/49/62/92/822496292.db2.gz LHMUDHWMFRRVEZ-UHFFFAOYSA-N 1 0 383.540 4.218 20 0 GIADRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2oc3ccccc3c2C)c(OC)c1 ZINC000183573623 822496454 /nfs/dbraw/zinc/49/64/54/822496454.db2.gz NNDUIOVDTRGGDV-LSDHHAIUSA-N 1 0 382.460 4.436 20 0 GIADRO Cc1cc2ncc([C@H](C)[NH2+][C@H]3CCN(c4ccc(Cl)c(F)c4)C3)c(C)n2n1 ZINC000179525200 822496969 /nfs/dbraw/zinc/49/69/69/822496969.db2.gz PVWXAFAPQYSQKB-ZFWWWQNUSA-N 1 0 387.890 4.068 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1)c1cccc(-n2cccn2)c1 ZINC000183588279 822497978 /nfs/dbraw/zinc/49/79/78/822497978.db2.gz IJOYHKDDAGCTJL-HZPDHXFCSA-N 1 0 398.457 4.021 20 0 GIADRO Cc1cc(C)c(NC(=O)C[NH2+][C@@H](C)c2cccc(-n3cccn3)c2)c(Cl)c1 ZINC000183607382 822500350 /nfs/dbraw/zinc/50/03/50/822500350.db2.gz KDFWYXCRUNORDR-INIZCTEOSA-N 1 0 382.895 4.432 20 0 GIADRO COC(=O)COc1ccccc1[C@@H](C)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000183610851 822501044 /nfs/dbraw/zinc/50/10/44/822501044.db2.gz RSOBQSFRCKBRAA-RTBURBONSA-N 1 0 396.531 4.115 20 0 GIADRO CC(C)(C)OC(=O)C1CCC([NH2+]CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000179547675 822501106 /nfs/dbraw/zinc/50/11/06/822501106.db2.gz KYXOJCNHRGPKIZ-WWDZGPRUSA-N 1 0 396.572 4.124 20 0 GIADRO CC(C)Oc1ccc([C@H](O)C[NH2+][C@H](c2ccccc2)c2ccc(F)cn2)cc1 ZINC000183611174 822501253 /nfs/dbraw/zinc/50/12/53/822501253.db2.gz YOAXUEMEQQANBO-DHIUTWEWSA-N 1 0 380.463 4.421 20 0 GIADRO CC(C)Oc1cccc([C@@H](O)C[NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)c1 ZINC000183612575 822501266 /nfs/dbraw/zinc/50/12/66/822501266.db2.gz XRLWRKBZBBQFDF-GOTSBHOMSA-N 1 0 380.463 4.421 20 0 GIADRO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000183615141 822501713 /nfs/dbraw/zinc/50/17/13/822501713.db2.gz BZYCOEQWWVBYNS-CQSZACIVSA-N 1 0 395.425 4.083 20 0 GIADRO O=C1CCCN1C[C@H]([NH2+]Cc1ccccc1Oc1cccnc1)c1ccccc1 ZINC000179554268 822502619 /nfs/dbraw/zinc/50/26/19/822502619.db2.gz WJZFVUPAPLWMBX-QFIPXVFZSA-N 1 0 387.483 4.327 20 0 GIADRO CCc1nc2ccccc2c(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1C ZINC000179555031 822502800 /nfs/dbraw/zinc/50/28/00/822502800.db2.gz ZLTYHDNBRKMWLN-UHFFFAOYSA-N 1 0 388.515 4.147 20 0 GIADRO CC[C@@H]([NH2+][C@@H]1CCCc2cc(F)ccc21)c1ccccc1OCC(=O)N(C)C ZINC000179561455 822503834 /nfs/dbraw/zinc/50/38/34/822503834.db2.gz JHIOYFMPZVGPDF-NHCUHLMSSA-N 1 0 384.495 4.411 20 0 GIADRO CC[C@H](NC(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccccc1OC(F)F ZINC000046684299 822504778 /nfs/dbraw/zinc/50/47/78/822504778.db2.gz ITYQZIPJCSERKS-SFHVURJKSA-N 1 0 395.494 4.257 20 0 GIADRO Cc1ccc(CN(C(=O)C[NH2+][C@@H](C)c2cccc(OC(F)F)c2)C2CC2)o1 ZINC000179574346 822505620 /nfs/dbraw/zinc/50/56/20/822505620.db2.gz TYPODFHGDPMOIA-AWEZNQCLSA-N 1 0 378.419 4.031 20 0 GIADRO COc1cccc([C@H](CNC(=O)CCc2ccc3[nH]ccc3c2)[NH+]2CCCC2)c1 ZINC000179573555 822505702 /nfs/dbraw/zinc/50/57/02/822505702.db2.gz HWZGYASCJUJBLM-QHCPKHFHSA-N 1 0 391.515 4.062 20 0 GIADRO Cc1nc(-c2ccccc2Br)sc1[C@@H](C)[NH2+]CC1(C)OCCO1 ZINC000179575688 822505942 /nfs/dbraw/zinc/50/59/42/822505942.db2.gz GTASOVGNNJPMEU-LLVKDONJSA-N 1 0 397.338 4.295 20 0 GIADRO COCCn1ccc2ccc(NC(=O)N[C@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)cc21 ZINC000183651981 822506348 /nfs/dbraw/zinc/50/63/48/822506348.db2.gz YOOOQRGWMRNZBO-IEBWSBKVSA-N 1 0 398.551 4.062 20 0 GIADRO Cc1nn(-c2ccccc2)cc1NC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000183659295 822507031 /nfs/dbraw/zinc/50/70/31/822507031.db2.gz JCRQUYDXYJTOLI-JOCHJYFZSA-N 1 0 389.503 4.139 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)CCc2nc(-c3cccs3)no2)c1 ZINC000046706383 822507548 /nfs/dbraw/zinc/50/75/48/822507548.db2.gz OKSXPXLTKINTFP-UHFFFAOYSA-N 1 0 384.505 4.211 20 0 GIADRO CC(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(-n3ccnc3C)cc2)c1 ZINC000183673122 822509226 /nfs/dbraw/zinc/50/92/26/822509226.db2.gz HAYVGXDYZPYXRW-HZPDHXFCSA-N 1 0 390.487 4.061 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)c2cc(-c3ccccc3Cl)on2)cc1 ZINC000046722905 822509724 /nfs/dbraw/zinc/50/97/24/822509724.db2.gz RMHGVCZUBODGTQ-UHFFFAOYSA-N 1 0 385.851 4.188 20 0 GIADRO CCOCc1cc(CN(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1OC ZINC000179601639 822510754 /nfs/dbraw/zinc/51/07/54/822510754.db2.gz QXDSFOFLGCDWSU-QFIPXVFZSA-N 1 0 382.548 4.186 20 0 GIADRO CCOCc1cc(CN(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1OC ZINC000179601656 822510782 /nfs/dbraw/zinc/51/07/82/822510782.db2.gz QXDSFOFLGCDWSU-JOCHJYFZSA-N 1 0 382.548 4.186 20 0 GIADRO COc1ccc(C)cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000183687227 822511388 /nfs/dbraw/zinc/51/13/88/822511388.db2.gz VKSVIAQZRNJVFP-DLBZAZTESA-N 1 0 392.503 4.176 20 0 GIADRO CCC[C@H]1C[C@H](C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)CCO1 ZINC000183691078 822512336 /nfs/dbraw/zinc/51/23/36/822512336.db2.gz YCTQWJNSKDSNAQ-QUCCMNQESA-N 1 0 392.971 4.264 20 0 GIADRO O=C(CCCc1ncc(-c2ccccc2)o1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000046747022 822512395 /nfs/dbraw/zinc/51/23/95/822512395.db2.gz SLOMQKCJKNLVPQ-OAQYLSRUSA-N 1 0 389.499 4.055 20 0 GIADRO CC(=O)c1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000179616482 822513583 /nfs/dbraw/zinc/51/35/83/822513583.db2.gz GAGPJDIOWAEOMI-CHWSQXEVSA-N 1 0 376.403 4.168 20 0 GIADRO Cc1onc(-c2ccccc2)c1C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000046756481 822513766 /nfs/dbraw/zinc/51/37/66/822513766.db2.gz HPVWIRWCJFUDBJ-UHFFFAOYSA-N 1 0 377.488 4.420 20 0 GIADRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N2CCC(C(=O)c3ccccc3)CC2)C1 ZINC000046758470 822514098 /nfs/dbraw/zinc/51/40/98/822514098.db2.gz UJYWUBBJKWQLMN-PMACEKPBSA-N 1 0 399.579 4.049 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2nc(-c3cccc(C(F)(F)F)c3)oc2C)C1 ZINC000183707233 822514724 /nfs/dbraw/zinc/51/47/24/822514724.db2.gz NHLUKAGGGKQWTD-AWEZNQCLSA-N 1 0 395.425 4.083 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)C(C)(C)c1ccc(Br)cc1)c1ccsc1 ZINC000046765854 822515061 /nfs/dbraw/zinc/51/50/61/822515061.db2.gz YZBZNQBOVLSURG-MRXNPFEDSA-N 1 0 395.366 4.207 20 0 GIADRO Cc1sc([C@@H](C)NC(=O)NC[C@H](C)[NH+](C)C)nc1-c1ccc(Cl)cc1 ZINC000454678775 822516124 /nfs/dbraw/zinc/51/61/24/822516124.db2.gz PKXKHKDVWLDRJU-NWDGAFQWSA-N 1 0 380.945 4.082 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CC(=O)N1CCc2ccccc2C1 ZINC000183722385 822516897 /nfs/dbraw/zinc/51/68/97/822516897.db2.gz RAQZOGKIDFRCMX-MRXNPFEDSA-N 1 0 391.540 4.354 20 0 GIADRO Cc1cc(Sc2ncccn2)ccc1NC(=O)NC(C)(C)CCC[NH+](C)C ZINC000454685231 822516953 /nfs/dbraw/zinc/51/69/53/822516953.db2.gz ZAUXRPHDANLFAQ-UHFFFAOYSA-N 1 0 387.553 4.178 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]Cc1ccc(N2CCOC2=O)cc1 ZINC000183737664 822519346 /nfs/dbraw/zinc/51/93/46/822519346.db2.gz LTTIIWPGYGTQNT-AWEZNQCLSA-N 1 0 394.500 4.321 20 0 GIADRO CCOC(=O)Nc1ccc(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)cc1 ZINC000046809250 822519732 /nfs/dbraw/zinc/51/97/32/822519732.db2.gz UIZKCRMCJKDERD-UHFFFAOYSA-N 1 0 383.492 4.025 20 0 GIADRO C[C@H]([NH2+][C@H]1CCCc2ccc(F)cc21)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000179652042 822520089 /nfs/dbraw/zinc/52/00/89/822520089.db2.gz RZAHBTALORYLBL-NYHFZMIOSA-N 1 0 382.479 4.211 20 0 GIADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CC3(CCC3)[C@H]2c2ccco2)CC1 ZINC000454706259 822520938 /nfs/dbraw/zinc/52/09/38/822520938.db2.gz CSLUTJIEFRVKMD-DYESRHJHSA-N 1 0 394.519 4.137 20 0 GIADRO CCN(CC(=O)Nc1c(C)cccc1Cl)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000183748713 822521747 /nfs/dbraw/zinc/52/17/47/822521747.db2.gz TVLGNNLHNBHINS-IBGZPJMESA-N 1 0 385.939 4.183 20 0 GIADRO Cc1nn(-c2ccc(F)cc2)c(Cl)c1CNCc1cccc(C[NH+](C)C)c1 ZINC000046836846 822522480 /nfs/dbraw/zinc/52/24/80/822522480.db2.gz QJIRNUQELBEZLE-UHFFFAOYSA-N 1 0 386.902 4.325 20 0 GIADRO CN1CC[C@H]([NH2+]Cc2cncc(Br)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000183754324 822522658 /nfs/dbraw/zinc/52/26/58/822522658.db2.gz GKGSPSMQCKWTOW-IRXDYDNUSA-N 1 0 398.707 4.172 20 0 GIADRO COc1cc(C[NH2+]Cc2cccc(C(=O)N(C)C)c2)ccc1OCCC(C)C ZINC000046837211 822522693 /nfs/dbraw/zinc/52/26/93/822522693.db2.gz WYBOHIDIQKIDGD-UHFFFAOYSA-N 1 0 384.520 4.112 20 0 GIADRO CCN(Cc1csc(-c2ccccn2)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000183756675 822523087 /nfs/dbraw/zinc/52/30/87/822523087.db2.gz ZHDVFSJXQUNBJM-HXUWFJFHSA-N 1 0 378.545 4.302 20 0 GIADRO OCCC[C@H]([NH2+]CCc1cc(Cl)c2c(c1)OCCCO2)c1ccccc1 ZINC000179673213 822524348 /nfs/dbraw/zinc/52/43/48/822524348.db2.gz XJDHPUIFTMSTCV-IBGZPJMESA-N 1 0 375.896 4.147 20 0 GIADRO Fc1ccc(N2CC[C@H]([NH2+]Cc3cncc(Br)c3)C2)cc1Cl ZINC000183764315 822524673 /nfs/dbraw/zinc/52/46/73/822524673.db2.gz MIXUYOWXAWSFGQ-ZDUSSCGKSA-N 1 0 384.680 4.005 20 0 GIADRO C[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@@](C)(F)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000454735499 822525029 /nfs/dbraw/zinc/52/50/29/822525029.db2.gz MWBJBJDUNBYJGP-LSBZLQRGSA-N 1 0 385.886 4.006 20 0 GIADRO COc1cccc([C@@H]2[C@@H](NC(=O)Nc3c(F)cccc3F)CC[N@@H+]2C2CC2)c1 ZINC000183767951 822525462 /nfs/dbraw/zinc/52/54/62/822525462.db2.gz BGNPWFRJCIZUEK-AZUAARDMSA-N 1 0 387.430 4.073 20 0 GIADRO COc1cccc([C@H]2[C@H](NC(=O)Nc3c(F)cccc3F)CC[N@@H+]2C2CC2)c1 ZINC000183767937 822525516 /nfs/dbraw/zinc/52/55/16/822525516.db2.gz BGNPWFRJCIZUEK-QUCCMNQESA-N 1 0 387.430 4.073 20 0 GIADRO COc1ccc(C[N@H+](C)Cc2cn(C)nc2-c2ccccc2)cc1OC(F)F ZINC000179680493 822525871 /nfs/dbraw/zinc/52/58/71/822525871.db2.gz MJZSZZOMGBVKNV-UHFFFAOYSA-N 1 0 387.430 4.329 20 0 GIADRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000179681792 822526320 /nfs/dbraw/zinc/52/63/20/822526320.db2.gz STYBFPXFKXQTKU-WMZOPIPTSA-N 1 0 384.524 4.202 20 0 GIADRO CCCn1c(CNc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)nc2ccccc21 ZINC000183774111 822526446 /nfs/dbraw/zinc/52/64/46/822526446.db2.gz FAQZONVGQLFRGH-UHFFFAOYSA-N 1 0 393.535 4.257 20 0 GIADRO Cc1ccc(NCc2ccc(OC(F)F)c(F)c2)cc1NC(=O)CC[NH+](C)C ZINC000183778732 822527366 /nfs/dbraw/zinc/52/73/66/822527366.db2.gz NAFOMXWCJTVTNG-UHFFFAOYSA-N 1 0 395.425 4.238 20 0 GIADRO COc1ccc([C@@H]([NH2+][C@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)C2CC2)cc1 ZINC000179687049 822527355 /nfs/dbraw/zinc/52/73/55/822527355.db2.gz AMKMRYNUOSXACA-HXOBKFHXSA-N 1 0 393.531 4.363 20 0 GIADRO Cc1cccc(NC(=O)C[NH2+][C@@H](C)c2cccc(OCc3ccccn3)c2)c1 ZINC000179688858 822528068 /nfs/dbraw/zinc/52/80/68/822528068.db2.gz CQQHXBGSYNRXNG-SFHVURJKSA-N 1 0 375.472 4.258 20 0 GIADRO C[C@@H]([NH2+]CCCOc1ccc(S(C)(=O)=O)cc1)c1ccc(F)cc1Cl ZINC000183788659 822528284 /nfs/dbraw/zinc/52/82/84/822528284.db2.gz OWFUIEPEZDBFST-CYBMUJFWSA-N 1 0 385.888 4.002 20 0 GIADRO CC(C)(C)C[C@@H](NC(=O)N1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1 ZINC000046899006 822528294 /nfs/dbraw/zinc/52/82/94/822528294.db2.gz PNZQZGREMRZWGN-HXUWFJFHSA-N 1 0 384.499 4.230 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)c1cc(F)ccc1F)c1cccc(OCc2ccccn2)c1 ZINC000179694683 822529086 /nfs/dbraw/zinc/52/90/86/822529086.db2.gz PYLNFIYKWMTEMJ-NYHFZMIOSA-N 1 0 384.426 4.323 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)c1c(F)cccc1F)c1cccc(OCc2ccccn2)c1 ZINC000179694783 822529129 /nfs/dbraw/zinc/52/91/29/822529129.db2.gz JJASTHIJDZIKOP-QVKFZJNVSA-N 1 0 384.426 4.323 20 0 GIADRO Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000183805325 822530161 /nfs/dbraw/zinc/53/01/61/822530161.db2.gz MBROKVVIQBUXMZ-RUZDIDTESA-N 1 0 387.527 4.220 20 0 GIADRO COc1cc([C@@H](C)[NH2+]CCOc2ccccc2)ccc1OCc1ccncc1 ZINC000179699251 822530194 /nfs/dbraw/zinc/53/01/94/822530194.db2.gz XGQQDXDLOKFILM-GOSISDBHSA-N 1 0 378.472 4.399 20 0 GIADRO COc1cc([C@@H](C)[NH2+]C[C@H](O)c2ccccc2)ccc1OCc1ccncc1 ZINC000179702977 822531077 /nfs/dbraw/zinc/53/10/77/822531077.db2.gz HGVXATNQXLNUEM-UTKZUKDTSA-N 1 0 378.472 4.053 20 0 GIADRO Cc1cc(C[NH2+]Cc2cc3cc(Br)ccc3[nH]2)ccc1-n1cncn1 ZINC000183818180 822531302 /nfs/dbraw/zinc/53/13/02/822531302.db2.gz RLZONDAXHZUYFJ-UHFFFAOYSA-N 1 0 396.292 4.109 20 0 GIADRO Cc1ccc(Br)cc1NC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000046926343 822531686 /nfs/dbraw/zinc/53/16/86/822531686.db2.gz HNNQJQZIFZPHQE-UHFFFAOYSA-N 1 0 376.298 4.141 20 0 GIADRO Brc1ccc2[nH]c(C[NH2+]Cc3cnn(Cc4ccccc4)c3)cc2c1 ZINC000183819879 822531805 /nfs/dbraw/zinc/53/18/05/822531805.db2.gz XZAJPCOMMSJUJA-UHFFFAOYSA-N 1 0 395.304 4.465 20 0 GIADRO C[NH+]1CCN(Cc2ccc(NC(=O)CCCC[C@@H]3CCSS3)cc2)CC1 ZINC000046934049 822532311 /nfs/dbraw/zinc/53/23/11/822532311.db2.gz TUZWBRUCNZSUOO-LJQANCHMSA-N 1 0 393.622 4.087 20 0 GIADRO CCOc1ccc(O)c(C[NH2+]Cc2cc3cc(Br)ccc3[nH]2)c1 ZINC000183823786 822532524 /nfs/dbraw/zinc/53/25/24/822532524.db2.gz GIXZKNPZTNIXOZ-UHFFFAOYSA-N 1 0 375.266 4.325 20 0 GIADRO CCOc1ccc(Oc2ccc(NC(=O)NC[C@H]3CC[N@H+](CC)C3)cc2)cc1 ZINC000046956700 822534106 /nfs/dbraw/zinc/53/41/06/822534106.db2.gz LHXURRGIOCZQFN-QGZVFWFLSA-N 1 0 383.492 4.341 20 0 GIADRO CCCCNc1ccccc1C(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1 ZINC000183838783 822534174 /nfs/dbraw/zinc/53/41/74/822534174.db2.gz AUJFLMCMYOEMCE-UHFFFAOYSA-N 1 0 396.535 4.350 20 0 GIADRO CC(C)Oc1ccc2ccccc2c1CNC(=O)[C@@H]([NH2+]C1CCOCC1)C(C)C ZINC000183838389 822534186 /nfs/dbraw/zinc/53/41/86/822534186.db2.gz ZQMQCIAIVPLWON-QHCPKHFHSA-N 1 0 398.547 4.036 20 0 GIADRO Cc1noc(C)c1COc1cccc(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000046988745 822535958 /nfs/dbraw/zinc/53/59/58/822535958.db2.gz LXMVVTRRGSZGBV-KRWDZBQOSA-N 1 0 399.535 4.255 20 0 GIADRO CCOc1c(Cl)cc(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)cc1OC ZINC000046988855 822535994 /nfs/dbraw/zinc/53/59/94/822535994.db2.gz XXIIASHWXAGNHK-OAHLLOKOSA-N 1 0 382.932 4.132 20 0 GIADRO Cc1noc(C)c1COc1cccc(C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000046990777 822536034 /nfs/dbraw/zinc/53/60/34/822536034.db2.gz GZCVHACLROYCCE-KRWDZBQOSA-N 1 0 399.535 4.112 20 0 GIADRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)C1 ZINC000046991510 822536220 /nfs/dbraw/zinc/53/62/20/822536220.db2.gz SHKIVSHCEVPTNU-KRWDZBQOSA-N 1 0 389.540 4.276 20 0 GIADRO Clc1ccc(-n2cc(CNC3CC[NH+](C4CCCC4)CC3)nn2)cc1Cl ZINC000183862144 822537444 /nfs/dbraw/zinc/53/74/44/822537444.db2.gz CVAZDJQKYBNZNB-UHFFFAOYSA-N 1 0 394.350 4.071 20 0 GIADRO C[NH+](C)CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1 ZINC000454806784 822537837 /nfs/dbraw/zinc/53/78/37/822537837.db2.gz QPIVYAWFFZBYNY-UHFFFAOYSA-N 1 0 388.899 4.054 20 0 GIADRO c1coc(COCc2cccc(NC3CC[NH+](Cc4ccncc4)CC3)c2)c1 ZINC000179737821 822539153 /nfs/dbraw/zinc/53/91/53/822539153.db2.gz HVBBNXJDFUNCHY-UHFFFAOYSA-N 1 0 377.488 4.468 20 0 GIADRO Cc1cc(C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c(C)n1CC(F)(F)F ZINC000047039260 822539196 /nfs/dbraw/zinc/53/91/96/822539196.db2.gz NUCDUWRBRKOBBO-GASCZTMLSA-N 1 0 387.490 4.155 20 0 GIADRO CCC(CC)(C[NH2+][C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1)C(=O)OC ZINC000183879383 822539637 /nfs/dbraw/zinc/53/96/37/822539637.db2.gz PZJVTFNMCSSADK-MRXNPFEDSA-N 1 0 395.565 4.033 20 0 GIADRO CC1(CC[NH2+][C@@H](c2ccccc2)c2ccccc2Br)OCCO1 ZINC000183885309 822540566 /nfs/dbraw/zinc/54/05/66/822540566.db2.gz IAEIBVGHHWQBIQ-SFHVURJKSA-N 1 0 376.294 4.281 20 0 GIADRO CCOc1ccccc1[C@H](CC)[NH2+]CC(=O)NCCc1nc2ccccc2s1 ZINC000179742563 822540857 /nfs/dbraw/zinc/54/08/57/822540857.db2.gz JZIQRURAPIFWEL-KRWDZBQOSA-N 1 0 397.544 4.095 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N1CCCCC[C@@H]1c1ccco1 ZINC000179743524 822541240 /nfs/dbraw/zinc/54/12/40/822541240.db2.gz BYECAHITEVUPKQ-HXUWFJFHSA-N 1 0 382.508 4.218 20 0 GIADRO CCc1cccc(C)c1NC(=O)C[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179744607 822541445 /nfs/dbraw/zinc/54/14/45/822541445.db2.gz PWDOWHQHRQERAR-QHCPKHFHSA-N 1 0 380.488 4.008 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1cccc2cc[nH]c21)c1cccc(C(F)(F)F)c1 ZINC000183893936 822541821 /nfs/dbraw/zinc/54/18/21/822541821.db2.gz ADCQJDBGNNKKDK-QGZVFWFLSA-N 1 0 375.394 4.219 20 0 GIADRO CCN(Cc1cccc(Cl)c1)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179747220 822541826 /nfs/dbraw/zinc/54/18/26/822541826.db2.gz DHMGPTVYPBELBD-UHFFFAOYSA-N 1 0 386.927 4.183 20 0 GIADRO CCc1noc(C2CCC([NH2+]C[C@@H](O)c3cccc(C(F)(F)F)c3)CC2)n1 ZINC000183899423 822542883 /nfs/dbraw/zinc/54/28/83/822542883.db2.gz RTGYMILNIOINMP-VDSRIPIWSA-N 1 0 383.414 4.000 20 0 GIADRO C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179752663 822543047 /nfs/dbraw/zinc/54/30/47/822543047.db2.gz MXRJMOBJVHPPHL-IBGZPJMESA-N 1 0 392.547 4.308 20 0 GIADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cccc(C(F)F)c1 ZINC000179753913 822543556 /nfs/dbraw/zinc/54/35/56/822543556.db2.gz ZMEBVLBJQGMACF-IBGZPJMESA-N 1 0 388.458 4.457 20 0 GIADRO O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000179756050 822544018 /nfs/dbraw/zinc/54/40/18/822544018.db2.gz QBTNSGWZOJDYGQ-LJQANCHMSA-N 1 0 399.362 4.188 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N(Cc1ccccc1)CC1CCC1 ZINC000179756923 822544212 /nfs/dbraw/zinc/54/42/12/822544212.db2.gz YYLRNRXFFARGKK-UHFFFAOYSA-N 1 0 392.547 4.310 20 0 GIADRO CC1CC[NH+]([C@@H](CNC(=O)c2ncccc2C(F)(F)F)c2cccs2)CC1 ZINC000179758392 822544726 /nfs/dbraw/zinc/54/47/26/822544726.db2.gz IEWYWMFUHGFUHJ-HNNXBMFYSA-N 1 0 397.466 4.365 20 0 GIADRO O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000047103693 822544773 /nfs/dbraw/zinc/54/47/73/822544773.db2.gz KBOAKZYGGLZAIY-IEBWSBKVSA-N 1 0 376.460 4.243 20 0 GIADRO CCN1c2ccc(N[C@@H](C)c3cccc(OCC[NH+](C)C)c3)cc2CCC1=O ZINC000183913915 822545104 /nfs/dbraw/zinc/54/51/04/822545104.db2.gz HBXADCHFOKZXIU-KRWDZBQOSA-N 1 0 381.520 4.099 20 0 GIADRO CN(C)C(=O)Sc1ccc(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)cc1 ZINC000179760650 822545396 /nfs/dbraw/zinc/54/53/96/822545396.db2.gz GBOUDPFURWKUDZ-NRFANRHFSA-N 1 0 398.528 4.472 20 0 GIADRO CN(C(=O)Nc1ccccc1OCC1CC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000454856148 822546746 /nfs/dbraw/zinc/54/67/46/822546746.db2.gz YAVBRSJPGPVQTF-UHFFFAOYSA-N 1 0 399.457 4.356 20 0 GIADRO C[C@@H](Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)c1cc2ccccc2o1 ZINC000179763731 822546857 /nfs/dbraw/zinc/54/68/57/822546857.db2.gz GTOWLFSNSZNFPV-MRXNPFEDSA-N 1 0 377.488 4.303 20 0 GIADRO C[C@@H]([NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1ccccc1Cl ZINC000179766510 822547638 /nfs/dbraw/zinc/54/76/38/822547638.db2.gz XJABHCPWFHBAHE-XCLFUZPHSA-N 1 0 386.879 4.179 20 0 GIADRO CCOc1ccc(C(C)=O)cc1C[NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000179767388 822547971 /nfs/dbraw/zinc/54/79/71/822547971.db2.gz CCROHXOMRZVDMU-HNNXBMFYSA-N 1 0 380.488 4.487 20 0 GIADRO O=C(Nc1ccccc1O)C1CC[NH+](Cc2cnc(C3CCCC3)s2)CC1 ZINC000179767079 822547988 /nfs/dbraw/zinc/54/79/88/822547988.db2.gz YZZFZOOWSKHHSN-UHFFFAOYSA-N 1 0 385.533 4.357 20 0 GIADRO CCCOc1cc(C[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)ccc1OC ZINC000179767971 822548526 /nfs/dbraw/zinc/54/85/26/822548526.db2.gz PPURXBXLFQTRRV-UHFFFAOYSA-N 1 0 398.503 4.040 20 0 GIADRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000454867434 822548776 /nfs/dbraw/zinc/54/87/76/822548776.db2.gz JIDLYLQFSZKIPM-STQMWFEESA-N 1 0 392.491 4.033 20 0 GIADRO Cc1ccc(C[C@H](Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)C2CC2)cc1 ZINC000179775573 822550378 /nfs/dbraw/zinc/55/03/78/822550378.db2.gz NNUMLWHEMOLKRV-DEOSSOPVSA-N 1 0 391.559 4.126 20 0 GIADRO CC[NH+]1CCN(c2ccccc2N[C@@H](C)c2ccc(OCCOC)cc2)CC1 ZINC000179775750 822550411 /nfs/dbraw/zinc/55/04/11/822550411.db2.gz PRGWKUSRWPRTHE-IBGZPJMESA-N 1 0 383.536 4.027 20 0 GIADRO CO[C@@H](C(=O)N(c1cccc(SC)c1)C1CC[NH+](C)CC1)c1ccccc1 ZINC000183950450 822552599 /nfs/dbraw/zinc/55/25/99/822552599.db2.gz JFRICHCXJBLDEY-OAQYLSRUSA-N 1 0 384.545 4.223 20 0 GIADRO C[N@H+](CCCCNC(=O)N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1)C1CC1 ZINC000454898194 822553180 /nfs/dbraw/zinc/55/31/80/822553180.db2.gz ZPCUENYDLQIRKH-JCNLHEQBSA-N 1 0 383.458 4.125 20 0 GIADRO COc1ccccc1C1(C[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)CCC1 ZINC000183956725 822553589 /nfs/dbraw/zinc/55/35/89/822553589.db2.gz JMVGRBVBYXHXSI-QGZVFWFLSA-N 1 0 380.488 4.424 20 0 GIADRO Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000047213694 822554732 /nfs/dbraw/zinc/55/47/32/822554732.db2.gz BRGZPGWOZDZLSU-INIZCTEOSA-N 1 0 386.515 4.013 20 0 GIADRO C[NH+]1CCC(NC(=O)c2ccc(-c3cccc(OC(F)(F)F)c3)s2)CC1 ZINC000179806986 822556815 /nfs/dbraw/zinc/55/68/15/822556815.db2.gz FNHIRCJCAILWFH-UHFFFAOYSA-N 1 0 384.423 4.138 20 0 GIADRO Cc1c(C(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)cnn1C(C)C ZINC000179808453 822557175 /nfs/dbraw/zinc/55/71/75/822557175.db2.gz UVWOBFWYSIMXEI-UHFFFAOYSA-N 1 0 390.531 4.431 20 0 GIADRO Cn1cc(-c2cc(CNc3ccccc3C[N@H+](C)C3CCCCC3)on2)cn1 ZINC000183984557 822557995 /nfs/dbraw/zinc/55/79/95/822557995.db2.gz PRJBZTDTJSOAKA-UHFFFAOYSA-N 1 0 379.508 4.452 20 0 GIADRO COc1ccc2[nH]cc(C3=CC[N@@H+]([C@H](C(=O)N(C)C)c4ccccc4)CC3)c2c1 ZINC000047257374 822559047 /nfs/dbraw/zinc/55/90/47/822559047.db2.gz KWUQSZACZFVBDI-QHCPKHFHSA-N 1 0 389.499 4.095 20 0 GIADRO C[C@H](NC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C1CC1 ZINC000454932245 822559212 /nfs/dbraw/zinc/55/92/12/822559212.db2.gz WPKHORCDLXIIIO-OPECSJNASA-N 1 0 375.944 4.352 20 0 GIADRO Cc1oc2ccccc2c1C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000183994005 822560074 /nfs/dbraw/zinc/56/00/74/822560074.db2.gz JDEZISPUOGQBFC-KRWDZBQOSA-N 1 0 392.499 4.371 20 0 GIADRO CNC(=O)C1CC[NH+](Cc2ccc(-c3cccc(Br)c3)s2)CC1 ZINC000179822715 822560147 /nfs/dbraw/zinc/56/01/47/822560147.db2.gz BMGNTHUASPJWAW-UHFFFAOYSA-N 1 0 393.350 4.136 20 0 GIADRO Cn1cc(-c2nc(C[N@@H+]3CCC[C@@H](c4nc5ccccc5o4)C3)cs2)cn1 ZINC000047266109 822560173 /nfs/dbraw/zinc/56/01/73/822560173.db2.gz PSPXTIGYZIYDNM-CQSZACIVSA-N 1 0 379.489 4.064 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)NCc2ccc(C(F)F)cc2)CC1 ZINC000184011053 822563361 /nfs/dbraw/zinc/56/33/61/822563361.db2.gz AWHLEZZNVCDCSB-UHFFFAOYSA-N 1 0 387.474 4.396 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1cccnc1Cl)C(c1ccccc1)c1ccccc1 ZINC000184011881 822563507 /nfs/dbraw/zinc/56/35/07/822563507.db2.gz UGLBGGMBALNVHB-INIZCTEOSA-N 1 0 379.891 4.484 20 0 GIADRO O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000047305480 822563839 /nfs/dbraw/zinc/56/38/39/822563839.db2.gz ASDBCVHTJSQKHI-QHCPKHFHSA-N 1 0 394.515 4.095 20 0 GIADRO C[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1cccc(OC(F)F)c1 ZINC000047309352 822564264 /nfs/dbraw/zinc/56/42/64/822564264.db2.gz ZOZIAJYWGDSTTE-MRXNPFEDSA-N 1 0 388.458 4.377 20 0 GIADRO Cc1cccc(NC(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)c1C ZINC000047322146 822565460 /nfs/dbraw/zinc/56/54/60/822565460.db2.gz UJMLCRILSUZJNK-UHFFFAOYSA-N 1 0 380.536 4.027 20 0 GIADRO O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)N1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000455000999 822568333 /nfs/dbraw/zinc/56/83/33/822568333.db2.gz YYUPSCROQKXBOP-YADHBBJMSA-N 1 0 383.536 4.204 20 0 GIADRO O=C(Nc1ccc(OC(F)F)c(Cl)c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000047348300 822569710 /nfs/dbraw/zinc/56/97/10/822569710.db2.gz ZKOIIWQFDPZTIM-UHFFFAOYSA-N 1 0 387.858 4.424 20 0 GIADRO COc1ccc(C(=O)C2CC[NH+](Cc3c[nH]nc3-c3ccc(C)o3)CC2)cc1 ZINC000179880805 822570696 /nfs/dbraw/zinc/57/06/96/822570696.db2.gz DINHDUOWWBMVOZ-UHFFFAOYSA-N 1 0 379.460 4.082 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(Oc2ccccc2Cl)cc1)C1CCOCC1 ZINC000179882532 822571271 /nfs/dbraw/zinc/57/12/71/822571271.db2.gz PQVPHQMOENRTMO-OAHLLOKOSA-N 1 0 388.895 4.476 20 0 GIADRO CC(C)(C)OC(=O)c1cccc(C[NH+]2CCC(NC(=O)c3ccccc3)CC2)c1 ZINC000179896291 822573182 /nfs/dbraw/zinc/57/31/82/822573182.db2.gz UVRFQHQJWBQIGN-UHFFFAOYSA-N 1 0 394.515 4.036 20 0 GIADRO O=C(Nc1ccc2c3c(cccc31)CC2)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000047396335 822574901 /nfs/dbraw/zinc/57/49/01/822574901.db2.gz MLWMBRXNHYFMQA-UHFFFAOYSA-N 1 0 386.499 4.120 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)CCc1cncc(F)c1)c1ccccc1Cl ZINC000179913565 822575837 /nfs/dbraw/zinc/57/58/37/822575837.db2.gz PDNVMGKFQGYAAV-LJQANCHMSA-N 1 0 377.891 4.006 20 0 GIADRO COCc1cc([C@@H](C)[NH2+]CCCc2nc(-c3ccc(F)cc3)no2)ccc1OC ZINC000184091062 822576524 /nfs/dbraw/zinc/57/65/24/822576524.db2.gz FGGWQGIWYPJREO-OAHLLOKOSA-N 1 0 399.466 4.314 20 0 GIADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)Nc3cccc(-c4ccc5c(c4)CCO5)c3)C2)C1 ZINC000455043739 822579021 /nfs/dbraw/zinc/57/90/21/822579021.db2.gz BDLOVLKULLVBAC-XMMPIXPASA-N 1 0 391.515 4.238 20 0 GIADRO C[C@@H](CNC(=O)Nc1cc(Cl)c(OCC(F)(F)F)c(Cl)c1)[NH+](C)C ZINC000455044712 822579188 /nfs/dbraw/zinc/57/91/88/822579188.db2.gz JBRHTZUNUHOVJK-QMMMGPOBSA-N 1 0 388.217 4.006 20 0 GIADRO Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](Cc3cn(C)nc3C(C)(C)C)C2)cc1 ZINC000179932835 822579682 /nfs/dbraw/zinc/57/96/82/822579682.db2.gz LQVNMKOSOHKQEM-GOSISDBHSA-N 1 0 397.567 4.060 20 0 GIADRO COc1cc(C[NH2+]C[C@H](C)c2nc(C)cs2)ccc1OCc1ccncc1 ZINC000184113632 822580196 /nfs/dbraw/zinc/58/01/96/822580196.db2.gz UOIVUIZUHUSRQA-HNNXBMFYSA-N 1 0 383.517 4.327 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)c1 ZINC000047447832 822580276 /nfs/dbraw/zinc/58/02/76/822580276.db2.gz NDPHXSXRWPTFKQ-GHTZIAJQSA-N 1 0 393.531 4.077 20 0 GIADRO CN(CCCn1ccnc1)C(=O)NCc1ccc(Sc2ccc(F)cc2)cc1 ZINC000179944539 822582439 /nfs/dbraw/zinc/58/24/39/822582439.db2.gz UZGHMCZNMUBQFH-UHFFFAOYSA-N 1 0 398.507 4.405 20 0 GIADRO [NH3+]CC1(CC(=O)Nc2nnc(SCc3ccccc3)s2)CCCCC1 ZINC000184135128 822583874 /nfs/dbraw/zinc/58/38/74/822583874.db2.gz XRTSVQNLFJHZTR-UHFFFAOYSA-N 1 0 376.551 4.068 20 0 GIADRO CCn1cc([C@H](C)NC(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)cn1 ZINC000455068399 822584044 /nfs/dbraw/zinc/58/40/44/822584044.db2.gz ZZJWQHPLVVIXHB-SFHVURJKSA-N 1 0 383.540 4.060 20 0 GIADRO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2cccc(-c3ccncc3)c2)cc1 ZINC000179950194 822584260 /nfs/dbraw/zinc/58/42/60/822584260.db2.gz PXIYSRCZNLWSRF-KRWDZBQOSA-N 1 0 380.513 4.393 20 0 GIADRO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2ccccc2OC(F)(F)F)cc1 ZINC000179951823 822584513 /nfs/dbraw/zinc/58/45/13/822584513.db2.gz DTGBIVXAJKGLMO-ZDUSSCGKSA-N 1 0 387.423 4.230 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)NCc2c(F)cc(F)cc2F)[C@@H]1c1cccs1 ZINC000455075428 822585592 /nfs/dbraw/zinc/58/55/92/822585592.db2.gz FEQIIHYGOIXNHC-KZULUSFZSA-N 1 0 397.466 4.048 20 0 GIADRO O=C(Nc1cccc(COc2cccc(F)c2)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000047515334 822585931 /nfs/dbraw/zinc/58/59/31/822585931.db2.gz KEGZHFRSPARTJM-UHFFFAOYSA-N 1 0 397.494 4.497 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CCCOc3cc(F)ccc32)cc1 ZINC000179961866 822586297 /nfs/dbraw/zinc/58/62/97/822586297.db2.gz NWFBFQBOENZOLY-LIRRHRJNSA-N 1 0 392.496 4.152 20 0 GIADRO CCN(CC)C(=O)c1ccc(NC(=O)CC2(C[NH3+])CCCCC2)cc1Cl ZINC000184152307 822586568 /nfs/dbraw/zinc/58/65/68/822586568.db2.gz ZVIFLAFOSJLQCJ-UHFFFAOYSA-N 1 0 379.932 4.060 20 0 GIADRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000179966389 822587142 /nfs/dbraw/zinc/58/71/42/822587142.db2.gz DPDNHDQNLNRSOE-WFASDCNBSA-N 1 0 377.847 4.095 20 0 GIADRO [NH3+]CC1(CC(=O)Nc2ccccc2-c2nnc(-c3ccccc3)[nH]2)CCCCC1 ZINC000184161400 822588362 /nfs/dbraw/zinc/58/83/62/822588362.db2.gz NDLKQNGLCAJOLD-UHFFFAOYSA-N 1 0 389.503 4.377 20 0 GIADRO CN(C(=O)Cc1ccc(NC(=O)CC2(C[NH3+])CCCCC2)cc1)c1ccccc1 ZINC000184162567 822588631 /nfs/dbraw/zinc/58/86/31/822588631.db2.gz YHVDVLPWVAPIGW-UHFFFAOYSA-N 1 0 393.531 4.130 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1nc2ccc(Cl)cc2n1C)c1ccc(-n2cncn2)cc1 ZINC000179977216 822589116 /nfs/dbraw/zinc/58/91/16/822589116.db2.gz UJHNIKUJBHHLOZ-KGLIPLIRSA-N 1 0 380.883 4.219 20 0 GIADRO CC(C)(C)OC(=O)NC1CCC([NH2+]C[C@H](c2ccco2)N2CCCCC2)CC1 ZINC000179979972 822589642 /nfs/dbraw/zinc/58/96/42/822589642.db2.gz TXJPHEIWHAQIOD-CTWPCTMYSA-N 1 0 391.556 4.232 20 0 GIADRO O=C(Nc1cccc(NC(=O)N2CCC([NH+]3CCCC3)CC2)c1)c1ccccc1 ZINC000047550686 822589984 /nfs/dbraw/zinc/58/99/84/822589984.db2.gz SNPPYEPFDGYFNM-UHFFFAOYSA-N 1 0 392.503 4.031 20 0 GIADRO CCCCCOc1ccc([C@H]([NH2+]C[C@@H]2COC3(CCOCC3)O2)C2CC2)cc1 ZINC000179981751 822590136 /nfs/dbraw/zinc/59/01/36/822590136.db2.gz LSYZVNJPRJYCPV-FGZHOGPDSA-N 1 0 389.536 4.218 20 0 GIADRO O=C(NCCCCC[NH+]1CCCC1)N1CC[C@@H](CSc2ccccc2)C1 ZINC000455111547 822590525 /nfs/dbraw/zinc/59/05/25/822590525.db2.gz HHCKBFDYZZFFIZ-LJQANCHMSA-N 1 0 375.582 4.076 20 0 GIADRO C[C@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1ccc(-c2ccccc2F)s1 ZINC000179989643 822591750 /nfs/dbraw/zinc/59/17/50/822591750.db2.gz PEHLQNLOPJTBKA-LSDHHAIUSA-N 1 0 377.481 4.127 20 0 GIADRO Cc1ccc(OC2CCN(C(=O)NCCCCC[NH+]3CCCC3)CC2)cc1C ZINC000455123373 822592306 /nfs/dbraw/zinc/59/23/06/822592306.db2.gz ZEQIZWLIYARMCH-UHFFFAOYSA-N 1 0 387.568 4.122 20 0 GIADRO Cc1ccc(Br)cc1NC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000047571145 822592527 /nfs/dbraw/zinc/59/25/27/822592527.db2.gz FVQNGLCTLGOOAN-UHFFFAOYSA-N 1 0 380.330 4.240 20 0 GIADRO O=C(c1ccccc1F)N1CCC[N@H+](Cc2cccc(-c3cccnc3)c2)CC1 ZINC000180002635 822593580 /nfs/dbraw/zinc/59/35/80/822593580.db2.gz UZRFMAJASQIXPF-UHFFFAOYSA-N 1 0 389.474 4.236 20 0 GIADRO C[C@H]([NH2+]CCc1nccn1Cc1ccccc1)c1nc2ccc(Cl)cc2n1C ZINC000180005672 822594357 /nfs/dbraw/zinc/59/43/57/822594357.db2.gz VMWCXHCRJHKGNS-INIZCTEOSA-N 1 0 393.922 4.365 20 0 GIADRO CC(C)C(=O)N1CCC([NH2+][C@H](c2ccc(Br)cc2)C2CC2)CC1 ZINC000180007308 822594735 /nfs/dbraw/zinc/59/47/35/822594735.db2.gz YLTCTZABIVDHIT-SFHVURJKSA-N 1 0 379.342 4.137 20 0 GIADRO CC(C)C(=O)N1CCC([NH2+][C@@H](c2ccc(Br)cc2)C2CC2)CC1 ZINC000180007292 822594760 /nfs/dbraw/zinc/59/47/60/822594760.db2.gz YLTCTZABIVDHIT-GOSISDBHSA-N 1 0 379.342 4.137 20 0 GIADRO Clc1ccc([C@H]([NH2+]Cc2cccnc2N2CCOCC2)C2CC2)cc1Cl ZINC000180008571 822595226 /nfs/dbraw/zinc/59/52/26/822595226.db2.gz CLRVLIGZNHJVMP-LJQANCHMSA-N 1 0 392.330 4.466 20 0 GIADRO C[C@@H]([NH2+]C[C@@H]1COC2(CCCCCC2)O1)c1ccc(OCc2nccn2C)cc1 ZINC000180011018 822596048 /nfs/dbraw/zinc/59/60/48/822596048.db2.gz HHVWGVGEYALJQD-WIYYLYMNSA-N 1 0 399.535 4.116 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(Cn2ccnc2)cc1)c1nc2ccc(Cl)cc2n1C ZINC000180011466 822596144 /nfs/dbraw/zinc/59/61/44/822596144.db2.gz LKZCROZXJGRWIF-OAHLLOKOSA-N 1 0 379.895 4.322 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc3ncccc32)cc1OC ZINC000047608689 822596318 /nfs/dbraw/zinc/59/63/18/822596318.db2.gz YHYHCYYWPSJAIK-HZPDHXFCSA-N 1 0 393.487 4.320 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NCc2ccccc2Cl)cc1OC ZINC000047609068 822596553 /nfs/dbraw/zinc/59/65/53/822596553.db2.gz PLIADGKLSXUWER-HUUCEWRRSA-N 1 0 390.911 4.103 20 0 GIADRO C[C@H]1CN(C(=O)Nc2ccc(Cl)cc2OC(F)F)CC[N@@H+](C2CCC2)C1 ZINC000455146008 822596600 /nfs/dbraw/zinc/59/66/00/822596600.db2.gz OXXGRLAVOLBKIQ-GFCCVEGCSA-N 1 0 387.858 4.280 20 0 GIADRO Cc1c(N[C@H](C)c2ccc(OCC[NH+](C)C)cc2)cccc1N1CCOC1=O ZINC000180014737 822596777 /nfs/dbraw/zinc/59/67/77/822596777.db2.gz HLNRNIIAKYLRIY-QGZVFWFLSA-N 1 0 383.492 4.065 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(OC)c(OC(C)C)c1)c1ccco1 ZINC000184215281 822597482 /nfs/dbraw/zinc/59/74/82/822597482.db2.gz LVIIFNIAXDKTRJ-KRWDZBQOSA-N 1 0 389.496 4.280 20 0 GIADRO COc1ccc(NC(=O)NC2CC[NH+](C3CCCC3)CC2)cc1OC(C)C ZINC000184217156 822597673 /nfs/dbraw/zinc/59/76/73/822597673.db2.gz CEWVUWWIMGFYGH-UHFFFAOYSA-N 1 0 375.513 4.011 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)Nc1cccc(Cl)c1-n1cccn1 ZINC000047628256 822597946 /nfs/dbraw/zinc/59/79/46/822597946.db2.gz JFEIDFPDZPQTFZ-QGZVFWFLSA-N 1 0 399.882 4.077 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)Nc1cccc(Cl)c1-n1cccn1 ZINC000047628255 822597966 /nfs/dbraw/zinc/59/79/66/822597966.db2.gz JFEIDFPDZPQTFZ-KRWDZBQOSA-N 1 0 399.882 4.077 20 0 GIADRO COc1ccccc1[C@H]([NH2+]Cc1ccc(N2CCO[C@H](C)C2)nc1)C1CCCC1 ZINC000180020980 822598405 /nfs/dbraw/zinc/59/84/05/822598405.db2.gz PVOJPQLVAWHCQE-HOYKHHGWSA-N 1 0 395.547 4.336 20 0 GIADRO CC(C)CS(=O)(=O)N1CCC([NH2+][C@H](C)c2cc(Cl)ccc2Cl)CC1 ZINC000180025933 822599673 /nfs/dbraw/zinc/59/96/73/822599673.db2.gz YIBDOOBKOAPGED-CYBMUJFWSA-N 1 0 393.380 4.094 20 0 GIADRO COc1cc(C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)c([N+](=O)[O-])cc1F ZINC000184236203 822600657 /nfs/dbraw/zinc/60/06/57/822600657.db2.gz YHBGBLTVDXCULM-YJBOKZPZSA-N 1 0 392.427 4.204 20 0 GIADRO CC(C)C(=O)Nc1ccc(C[NH2+][C@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)cc1 ZINC000180030104 822600827 /nfs/dbraw/zinc/60/08/27/822600827.db2.gz YMUSKGAOLWTWBY-MJGOQNOKSA-N 1 0 389.540 4.064 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)Nc2cccc(NC(=O)OC)c2)c1 ZINC000047713605 822602408 /nfs/dbraw/zinc/60/24/08/822602408.db2.gz OJQXIISWRFMKHP-UHFFFAOYSA-N 1 0 384.480 4.028 20 0 GIADRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1ncccc1C(F)(F)F ZINC000180041771 822602892 /nfs/dbraw/zinc/60/28/92/822602892.db2.gz YXIOIZYGXCXPID-UHFFFAOYSA-N 1 0 395.450 4.210 20 0 GIADRO CN(C)S(=O)(=O)c1ccc(C[NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)cc1 ZINC000180043351 822603247 /nfs/dbraw/zinc/60/32/47/822603247.db2.gz IOOXKGGBJYUHQH-OAQYLSRUSA-N 1 0 390.524 4.097 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)Nc1nnc(-c2c(F)cccc2Cl)s1 ZINC000455186128 822603628 /nfs/dbraw/zinc/60/36/28/822603628.db2.gz RYHSLZQKGHTENS-UHFFFAOYSA-N 1 0 399.923 4.240 20 0 GIADRO CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccc(-n3cccn3)cc2)cc1 ZINC000047722984 822603964 /nfs/dbraw/zinc/60/39/64/822603964.db2.gz XQFVLUVHVSXWEN-KRWDZBQOSA-N 1 0 377.492 4.253 20 0 GIADRO COc1cc2c(cc1C[NH2+][C@@H](C)c1ccc(NC(=O)NC(C)C)cc1)O[C@H](C)C2 ZINC000047723798 822604209 /nfs/dbraw/zinc/60/42/09/822604209.db2.gz FVSMKXBGGBHINX-CVEARBPZSA-N 1 0 397.519 4.399 20 0 GIADRO C[C@@H](C[S@@](C)=O)[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccc(Cl)c1 ZINC000184257649 822604414 /nfs/dbraw/zinc/60/44/14/822604414.db2.gz XWCUSLSOGBUAIK-QWXGXRTQSA-N 1 0 387.936 4.049 20 0 GIADRO Cc1cc(NC(=O)NC2CC[NH+](C3CCCC3)CC2)nn1-c1ccc(C)cc1 ZINC000180051151 822604616 /nfs/dbraw/zinc/60/46/16/822604616.db2.gz TUBXNSAMQIXAID-UHFFFAOYSA-N 1 0 381.524 4.018 20 0 GIADRO O=C(NC[C@@H]1CCCO1)c1cccc(C[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)c1 ZINC000180051535 822604895 /nfs/dbraw/zinc/60/48/95/822604895.db2.gz VFQSZNWUPPMCRI-VXKWHMMOSA-N 1 0 398.934 4.490 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)C[C@H](O)c2ccc(Cl)cc2)[C@@H]1c1cccs1 ZINC000180055056 822605203 /nfs/dbraw/zinc/60/52/03/822605203.db2.gz XQYSIUAGTWBRJE-OXFYSEKESA-N 1 0 392.952 4.024 20 0 GIADRO FC(F)Oc1ccc([C@@H]([NH2+]CCCn2ccnn2)c2ccc(Cl)cc2)cc1 ZINC000184264716 822605490 /nfs/dbraw/zinc/60/54/90/822605490.db2.gz MLBLJIGTUBIFNT-SFHVURJKSA-N 1 0 392.837 4.302 20 0 GIADRO CCc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+][C@@H](C)C[S@](C)=O)cc1 ZINC000184269461 822606235 /nfs/dbraw/zinc/60/62/35/822606235.db2.gz GWYGFSOZRCJZBK-JMQGSBJISA-N 1 0 395.572 4.017 20 0 GIADRO CCOc1c(Cl)cc(NC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)cc1Cl ZINC000455198611 822606381 /nfs/dbraw/zinc/60/63/81/822606381.db2.gz ULTNVTVGWADQDR-GOSISDBHSA-N 1 0 386.323 4.342 20 0 GIADRO CC(C)Oc1ccc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)cn1 ZINC000047772155 822608239 /nfs/dbraw/zinc/60/82/39/822608239.db2.gz DGODDFYAYUUOAL-UHFFFAOYSA-N 1 0 399.498 4.406 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N[C@@H]1CCSc2ccccc21 ZINC000047777536 822608520 /nfs/dbraw/zinc/60/85/20/822608520.db2.gz VNQXJRAIVPUTMO-QZTJIDSGSA-N 1 0 385.533 4.343 20 0 GIADRO COc1ccc(OCc2nc(C[NH2+]C[C@H](C)c3nccs3)cs2)cc1 ZINC000184289493 822609398 /nfs/dbraw/zinc/60/93/98/822609398.db2.gz BYAKTIRXTCJBCS-ZDUSSCGKSA-N 1 0 375.519 4.081 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=S)Nc1ccc(F)c(Cl)c1 ZINC000047807992 822611163 /nfs/dbraw/zinc/61/11/63/822611163.db2.gz FTMUUBWWJBXTLF-UHFFFAOYSA-N 1 0 392.931 4.348 20 0 GIADRO C[C@H](C[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1)c1c(Cl)cccc1Cl ZINC000180082348 822611645 /nfs/dbraw/zinc/61/16/45/822611645.db2.gz NONLEONQRGQQKK-NEPJUHHUSA-N 1 0 387.332 4.095 20 0 GIADRO CC(=O)Nc1ccc([C@H](C)[NH2+]CC2(C)CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000184315739 822613241 /nfs/dbraw/zinc/61/32/41/822613241.db2.gz XZOKTQUPVOFSKV-INIZCTEOSA-N 1 0 389.540 4.333 20 0 GIADRO CCc1nn(C)cc1C[NH2+]Cc1ccc(-n2nc(C)cc2C)cc1C(F)(F)F ZINC000180095067 822614270 /nfs/dbraw/zinc/61/42/70/822614270.db2.gz UYZVYJQQDPINRB-UHFFFAOYSA-N 1 0 391.441 4.094 20 0 GIADRO COc1ccc2oc([C@@H](C)[NH2+]C[C@H](O)COc3cccc(C(C)=O)c3)c(C)c2c1 ZINC000184319919 822614303 /nfs/dbraw/zinc/61/43/03/822614303.db2.gz RUADWZCPZKSPMS-QAPCUYQASA-N 1 0 397.471 4.043 20 0 GIADRO COc1ccc2oc([C@H](C)[NH2+]C[C@@H](O)COc3cccc(C(C)=O)c3)c(C)c2c1 ZINC000184319975 822614310 /nfs/dbraw/zinc/61/43/10/822614310.db2.gz RUADWZCPZKSPMS-MAUKXSAKSA-N 1 0 397.471 4.043 20 0 GIADRO Clc1ccccc1[C@@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc2c(c1)OCCO2 ZINC000180094857 822614293 /nfs/dbraw/zinc/61/42/93/822614293.db2.gz BADJVLHPXRXTKR-MWTRTKDXSA-N 1 0 398.934 4.275 20 0 GIADRO COc1cc([C@H](C)[NH2+]CC(=O)N[C@H](C)c2cccs2)ccc1OCC(C)C ZINC000180096905 822614640 /nfs/dbraw/zinc/61/46/40/822614640.db2.gz OLMXMVHYJUSSSD-JKSUJKDBSA-N 1 0 390.549 4.320 20 0 GIADRO CC(C)Oc1ccccc1[C@H](C)NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000047882481 822616252 /nfs/dbraw/zinc/61/62/52/822616252.db2.gz XRHBVPQGVTUGAU-PKOBYXMFSA-N 1 0 385.508 4.264 20 0 GIADRO COc1ccc2oc([C@H](C)[NH2+][C@H](C)C(=O)Nc3cccnc3Cl)c(C)c2c1 ZINC000184330953 822616606 /nfs/dbraw/zinc/61/66/06/822616606.db2.gz LYCLXAMDINQHEX-QWHCGFSZSA-N 1 0 387.867 4.476 20 0 GIADRO CC[C@H](C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(OC)cc1 ZINC000180108771 822617047 /nfs/dbraw/zinc/61/70/47/822617047.db2.gz QPHAWJQUDOXAPE-UTKZUKDTSA-N 1 0 386.561 4.279 20 0 GIADRO COc1cc(CNCC[C@H](C)[NH+]2CCCCC2)ccc1OCc1ccncc1 ZINC000184332879 822617061 /nfs/dbraw/zinc/61/70/61/822617061.db2.gz HGDUNODNQOXCHJ-IBGZPJMESA-N 1 0 383.536 4.023 20 0 GIADRO COc1ccc2oc([C@H](C)[NH2+][C@H](C)C(=O)NCCc3cccs3)c(C)c2c1 ZINC000184332455 822617086 /nfs/dbraw/zinc/61/70/86/822617086.db2.gz PVKVEGGDRHARSB-LSDHHAIUSA-N 1 0 386.517 4.209 20 0 GIADRO Cc1cncc([C@H](C)[NH2+]C[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)c1 ZINC000184333722 822617331 /nfs/dbraw/zinc/61/73/31/822617331.db2.gz KCSKBRGEGKFAOU-JXFKEZNVSA-N 1 0 393.453 4.133 20 0 GIADRO O=C(c1csc(-c2ccc(F)c(F)c2)n1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000180111844 822617704 /nfs/dbraw/zinc/61/77/04/822617704.db2.gz ZLXUFRSMIMNSOR-OAHLLOKOSA-N 1 0 391.487 4.179 20 0 GIADRO CCCN1c2ccc(N[C@H](C)c3ccc(OCC[NH+](C)C)cc3)cc2CCC1=O ZINC000180115209 822618302 /nfs/dbraw/zinc/61/83/02/822618302.db2.gz QLSNCXWOYJIJNM-GOSISDBHSA-N 1 0 395.547 4.489 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)Nc1cccc(OC(F)F)c1 ZINC000047906346 822618290 /nfs/dbraw/zinc/61/82/90/822618290.db2.gz ACIDCLVUHSAYOE-UHFFFAOYSA-N 1 0 375.419 4.206 20 0 GIADRO C[C@@H](CNC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1)C[NH+]1CCCC1 ZINC000047905348 822618306 /nfs/dbraw/zinc/61/83/06/822618306.db2.gz TXKMWZIQBAZCPY-SFHVURJKSA-N 1 0 389.499 4.470 20 0 GIADRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)Nc1cccc(OC(F)F)c1 ZINC000047906705 822618446 /nfs/dbraw/zinc/61/84/46/822618446.db2.gz FJGOYSYWPSVZMU-GOSISDBHSA-N 1 0 375.419 4.247 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)Nc1cccc(Cl)c1Br ZINC000455257915 822619440 /nfs/dbraw/zinc/61/94/40/822619440.db2.gz QWLVHUSKRRASOC-UHFFFAOYSA-N 1 0 376.726 4.344 20 0 GIADRO Cc1cc2occ(C(=O)N3CCC(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)c2cc1C ZINC000184347227 822619769 /nfs/dbraw/zinc/61/97/69/822619769.db2.gz UJYATBRODPKHTC-HDICACEKSA-N 1 0 384.520 4.011 20 0 GIADRO CC[C@@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl)c1nc(C)cs1 ZINC000184350507 822620477 /nfs/dbraw/zinc/62/04/77/822620477.db2.gz RNTDEKYKODJASU-GXTWGEPZSA-N 1 0 375.321 4.239 20 0 GIADRO C[N@@H+]1CC[C@H](NC(=O)c2cc(Br)ccc2Cl)[C@@H]1c1ccccc1 ZINC000180125276 822620552 /nfs/dbraw/zinc/62/05/52/822620552.db2.gz CNAGLXIYYDCTJD-IRXDYDNUSA-N 1 0 393.712 4.278 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CCSc2ccc(F)cc21)c1cccc(F)c1 ZINC000047936082 822620879 /nfs/dbraw/zinc/62/08/79/822620879.db2.gz MAKXCCCFRXFLOE-MSOLQXFVSA-N 1 0 391.487 4.104 20 0 GIADRO C[C@@H](NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1)c1nc2ccccc2n1C ZINC000180126419 822620899 /nfs/dbraw/zinc/62/08/99/822620899.db2.gz NLDVHCPPOUUWIE-RTBURBONSA-N 1 0 392.547 4.124 20 0 GIADRO COc1cccc([C@H](CNC(=O)N[C@H](C)c2cc(C)sc2C)[NH+](C)C)c1 ZINC000047936807 822621160 /nfs/dbraw/zinc/62/11/60/822621160.db2.gz UYMAQFLJRIGYJM-KUHUBIRLSA-N 1 0 375.538 4.037 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(Cl)c(OC(F)F)c2)[C@H](C)C1 ZINC000180135751 822623545 /nfs/dbraw/zinc/62/35/45/822623545.db2.gz MONCSUJGYIZDJA-BXUZGUMPSA-N 1 0 375.847 4.135 20 0 GIADRO C[NH+](C)CCN(Cc1ccco1)C(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000184379129 822624969 /nfs/dbraw/zinc/62/49/69/822624969.db2.gz UBMBUQQLXAFNLS-UHFFFAOYSA-N 1 0 387.814 4.130 20 0 GIADRO CC[C@@H]([NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)c1nc(C)cs1 ZINC000184388606 822626836 /nfs/dbraw/zinc/62/68/36/822626836.db2.gz FVGCZTJCHVUUFI-BXUZGUMPSA-N 1 0 375.321 4.239 20 0 GIADRO Cc1cc(Br)ccc1NC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000048055130 822627547 /nfs/dbraw/zinc/62/75/47/822627547.db2.gz XFRYCNZMNPBOQP-UHFFFAOYSA-N 1 0 382.346 4.342 20 0 GIADRO CSc1c(F)cc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1F ZINC000184396739 822628040 /nfs/dbraw/zinc/62/80/40/822628040.db2.gz FMRQVRJIMRYTQI-SJCJKPOMSA-N 1 0 381.492 4.167 20 0 GIADRO COc1ccc([C@@H](CCO)[NH2+][C@H]2CCc3c2cccc3Br)cc1 ZINC000180157449 822628949 /nfs/dbraw/zinc/62/89/49/822628949.db2.gz GUHLSCLPVACJNS-MOPGFXCFSA-N 1 0 376.294 4.158 20 0 GIADRO COc1ccc([C@H]([NH2+]C[C@@H](c2ccc(OC)c(OC)c2)N(C)C)C2CC2)cc1 ZINC000180159125 822629454 /nfs/dbraw/zinc/62/94/54/822629454.db2.gz CRBZQZMLDBCIHS-NZQKXSOJSA-N 1 0 384.520 4.056 20 0 GIADRO COc1ccccc1S(=O)(=O)CCC[NH2+][C@H](C)c1cc2ccccc2s1 ZINC000184407502 822629504 /nfs/dbraw/zinc/62/95/04/822629504.db2.gz SXVHMNUPFQNSEC-OAHLLOKOSA-N 1 0 389.542 4.425 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC000048076811 822629803 /nfs/dbraw/zinc/62/98/03/822629803.db2.gz OVHQFYKBMGLJRQ-UHFFFAOYSA-N 1 0 396.466 4.440 20 0 GIADRO CCCCOC(=O)c1ccc(NC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC000048079266 822629989 /nfs/dbraw/zinc/62/99/89/822629989.db2.gz RALYYARBIDHXTB-UHFFFAOYSA-N 1 0 389.540 4.228 20 0 GIADRO C[NH+](C)CC(C)(C)NC(=O)Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1 ZINC000455297599 822630478 /nfs/dbraw/zinc/63/04/78/822630478.db2.gz AOVQJMQDCICGLD-UHFFFAOYSA-N 1 0 398.294 4.037 20 0 GIADRO Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000180166513 822630980 /nfs/dbraw/zinc/63/09/80/822630980.db2.gz JORCJHFYLJFGCV-NHCUHLMSSA-N 1 0 394.906 4.009 20 0 GIADRO Cn1cc(C[NH+]2CCC([C@H](O)c3ccc(F)cc3)CC2)c(-c2cccs2)n1 ZINC000180169435 822631619 /nfs/dbraw/zinc/63/16/19/822631619.db2.gz KLOCUWYPMXEIRZ-OAQYLSRUSA-N 1 0 385.508 4.233 20 0 GIADRO C[N@@H+]1CC[C@@H](NC(=O)CCCc2nc3ccccc3s2)[C@@H]1c1ccccc1 ZINC000180171092 822632020 /nfs/dbraw/zinc/63/20/20/822632020.db2.gz HZCFKMXPWBEZKN-GCJKJVERSA-N 1 0 379.529 4.181 20 0 GIADRO C[N@H+](CCCCNC(=O)Nc1ccc(N2CCCCC2)c2ncccc12)C1CC1 ZINC000455312311 822632733 /nfs/dbraw/zinc/63/27/33/822632733.db2.gz OQYCEBIEOUHZMA-UHFFFAOYSA-N 1 0 395.551 4.221 20 0 GIADRO COc1ccc([C@H]([NH2+]Cc2ccc(-n3ccnc3C)nc2)c2ccccc2)cc1 ZINC000180176670 822632773 /nfs/dbraw/zinc/63/27/73/822632773.db2.gz ACQDZIKORRJINB-XMMPIXPASA-N 1 0 384.483 4.464 20 0 GIADRO CCOc1cccc(NC(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCC2)c1 ZINC000048118567 822634895 /nfs/dbraw/zinc/63/48/95/822634895.db2.gz QJAMGKMNKBEWFQ-HXUWFJFHSA-N 1 0 383.492 4.053 20 0 GIADRO Cc1ccccc1[C@@H](OC[C@@H](O)C[NH2+][C@@H](C)c1nccs1)c1ccccc1 ZINC000184438731 822635291 /nfs/dbraw/zinc/63/52/91/822635291.db2.gz HVNWNZRGGSKMDE-CUWPLCDZSA-N 1 0 382.529 4.269 20 0 GIADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)Cc1csc(-c2cccc(F)c2)n1 ZINC000048129755 822636754 /nfs/dbraw/zinc/63/67/54/822636754.db2.gz OLAHBVXGUNTRBP-OAHLLOKOSA-N 1 0 377.529 4.118 20 0 GIADRO COCCC(=O)N1CCC([NH2+][C@@H](c2cccc(C(F)(F)F)c2)C(C)C)CC1 ZINC000180194133 822636695 /nfs/dbraw/zinc/63/66/95/822636695.db2.gz BIHYRFMIKCUYPV-LJQANCHMSA-N 1 0 386.458 4.020 20 0 GIADRO C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000048136751 822637118 /nfs/dbraw/zinc/63/71/18/822637118.db2.gz DNKOQBLHFGKXLS-IERDGZPVSA-N 1 0 377.488 4.129 20 0 GIADRO Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000180199674 822638106 /nfs/dbraw/zinc/63/81/06/822638106.db2.gz WYWXYJYXKROGIE-GHTZIAJQSA-N 1 0 395.890 4.479 20 0 GIADRO C[C@@H]([NH2+]C1CCN([C@@H](C)c2ccncc2)CC1)c1nc2ccc(Cl)cc2n1C ZINC000180199291 822638166 /nfs/dbraw/zinc/63/81/66/822638166.db2.gz MCIWYQXOYZUNQJ-CVEARBPZSA-N 1 0 397.954 4.498 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1ccc(C(F)F)cc1 ZINC000184462427 822639811 /nfs/dbraw/zinc/63/98/11/822639811.db2.gz LBAAHVIJHIKZHF-LJQANCHMSA-N 1 0 387.474 4.288 20 0 GIADRO OC1CC[NH+](CCCN[C@@H](c2cccc(F)c2)c2cccc(Cl)c2)CC1 ZINC000180212600 822640485 /nfs/dbraw/zinc/64/04/85/822640485.db2.gz LMUABZFOFCUSTM-OAQYLSRUSA-N 1 0 376.903 4.005 20 0 GIADRO Cc1c2cc(F)ccc2sc1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180212739 822640676 /nfs/dbraw/zinc/64/06/76/822640676.db2.gz BGQAAAWUXVHZPZ-UHFFFAOYSA-N 1 0 383.492 4.390 20 0 GIADRO O=C1C[C@H]([NH2+]Cc2cnc(-c3cccs3)s2)CN1c1c(F)cccc1F ZINC000180221347 822641983 /nfs/dbraw/zinc/64/19/83/822641983.db2.gz CSOPXZCOABZZDG-NSHDSACASA-N 1 0 391.468 4.045 20 0 GIADRO CC(C)(O)C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000180221789 822642035 /nfs/dbraw/zinc/64/20/35/822642035.db2.gz SOTDGSIWXGBMJJ-UHFFFAOYSA-N 1 0 380.532 4.086 20 0 GIADRO Cc1cc2ncc([C@H](C)[NH2+][C@H]3CCO[C@@H]3c3ccc(Cl)c(F)c3)c(C)n2n1 ZINC000180227474 822643642 /nfs/dbraw/zinc/64/36/42/822643642.db2.gz GJFPKHQQYLSWGQ-FOPRYUNUSA-N 1 0 388.874 4.319 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)COCc1ccccc1Cl)c1nc(C(C)(C)C)cs1 ZINC000184488614 822644567 /nfs/dbraw/zinc/64/45/67/822644567.db2.gz DYQXESVTIPSKDQ-ZFWWWQNUSA-N 1 0 382.957 4.322 20 0 GIADRO C[NH+]1CCC(Nc2ccccc2NC(=O)CCc2ccc3[nH]ccc3c2)CC1 ZINC000180231115 822644574 /nfs/dbraw/zinc/64/45/74/822644574.db2.gz PQSYKYZEHIJVBV-UHFFFAOYSA-N 1 0 376.504 4.245 20 0 GIADRO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1cccnc1SC(F)F ZINC000180234733 822645454 /nfs/dbraw/zinc/64/54/54/822645454.db2.gz LSCZMGKQYINOIA-UHFFFAOYSA-N 1 0 377.460 4.287 20 0 GIADRO COC[C@@H]([NH2+][C@H](C)c1ccc(NC(=O)NC2CC2)cc1)c1ccc(F)c(F)c1 ZINC000180234641 822645465 /nfs/dbraw/zinc/64/54/65/822645465.db2.gz WODNHVAKXFLKTI-ZUOKHONESA-N 1 0 389.446 4.287 20 0 GIADRO CN1CCO[C@@H]([C@H]([NH2+]Cc2ccc(C(F)F)cc2)c2ccc(Cl)cc2)C1 ZINC000184496138 822645494 /nfs/dbraw/zinc/64/54/94/822645494.db2.gz YOLGHHCHRIWTLX-RTBURBONSA-N 1 0 380.866 4.439 20 0 GIADRO Cc1cc(C)n(-c2ccc(C[NH2+][C@@H](C)c3c[nH]nc3C)c(C(F)(F)F)c2)n1 ZINC000180236622 822645637 /nfs/dbraw/zinc/64/56/37/822645637.db2.gz AFUNPDCZKFMNHL-ZDUSSCGKSA-N 1 0 377.414 4.390 20 0 GIADRO CS(=O)(=O)Cc1ccccc1C[NH2+]CC(c1ccccc1)c1ccccc1 ZINC000180242446 822646836 /nfs/dbraw/zinc/64/68/36/822646836.db2.gz KIBGCJPXYXXTTD-UHFFFAOYSA-N 1 0 379.525 4.153 20 0 GIADRO COc1ccc(CC[C@H](C)[NH2+][C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1 ZINC000184511467 822648103 /nfs/dbraw/zinc/64/81/03/822648103.db2.gz XQTQBCBBXXJKDS-HJPURHCSSA-N 1 0 384.495 4.239 20 0 GIADRO O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)NC1CC[NH+](C2CC2)CC1 ZINC000048252333 822648501 /nfs/dbraw/zinc/64/85/01/822648501.db2.gz OPMPIFJRLSLFBZ-UHFFFAOYSA-N 1 0 383.467 4.044 20 0 GIADRO Cc1cc(NC(=O)C[NH2+][C@@H](C)c2sc(-c3ccc(Cl)cc3)nc2C)no1 ZINC000184514565 822648659 /nfs/dbraw/zinc/64/86/59/822648659.db2.gz MVWHWLYRVRUGDA-NSHDSACASA-N 1 0 390.896 4.358 20 0 GIADRO Cc1cc(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)nn1-c1ccc(F)cc1 ZINC000180259590 822649826 /nfs/dbraw/zinc/64/98/26/822649826.db2.gz VXZIHTQTWWLLJG-LJQANCHMSA-N 1 0 398.526 4.048 20 0 GIADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)Nc3cc(Cl)ccc3C(F)(F)F)C2)C1 ZINC000455419191 822650238 /nfs/dbraw/zinc/65/02/38/822650238.db2.gz ZFNPXOQMBSCLLG-INIZCTEOSA-N 1 0 375.822 4.308 20 0 GIADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)Nc3cc(Cl)ccc3C(F)(F)F)C2)C1 ZINC000455419192 822650260 /nfs/dbraw/zinc/65/02/60/822650260.db2.gz ZFNPXOQMBSCLLG-MRXNPFEDSA-N 1 0 375.822 4.308 20 0 GIADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)Cc3noc4ccccc34)cc2)C1 ZINC000048310897 822653014 /nfs/dbraw/zinc/65/30/14/822653014.db2.gz FBTMCQRXFQATAB-QZTJIDSGSA-N 1 0 391.515 4.165 20 0 GIADRO COc1cc(C[N@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)ccc1OC(C)C ZINC000180280963 822654289 /nfs/dbraw/zinc/65/42/89/822654289.db2.gz ZMDJUKWPLRHXFP-QMTYFTJSSA-N 1 0 375.534 4.413 20 0 GIADRO CCCOc1cc(C[N@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)ccc1OC ZINC000180285025 822655220 /nfs/dbraw/zinc/65/52/20/822655220.db2.gz UEVGUIMVDQETEF-QMTYFTJSSA-N 1 0 375.534 4.414 20 0 GIADRO CC(=O)Nc1cc(NC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)ccc1C ZINC000048360955 822656242 /nfs/dbraw/zinc/65/62/42/822656242.db2.gz ZFUNPYLFLITYBD-UHFFFAOYSA-N 1 0 386.540 4.073 20 0 GIADRO CC(=O)Nc1cc(NC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)ccc1C ZINC000048361261 822656277 /nfs/dbraw/zinc/65/62/77/822656277.db2.gz VWIOLHBYNFQNEI-UHFFFAOYSA-N 1 0 382.508 4.115 20 0 GIADRO C[C@H](Oc1ccccc1NC(=O)NC(C)(C)CCC[NH+](C)C)C(F)(F)F ZINC000455451835 822656987 /nfs/dbraw/zinc/65/69/87/822656987.db2.gz UWPXJHRNNILSSI-ZDUSSCGKSA-N 1 0 375.435 4.258 20 0 GIADRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCC[C@@H]1c1ccncc1 ZINC000184559573 822657351 /nfs/dbraw/zinc/65/73/51/822657351.db2.gz UWPWSQRVXAUKHR-FGZHOGPDSA-N 1 0 380.536 4.085 20 0 GIADRO Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)N[C@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000184559133 822657399 /nfs/dbraw/zinc/65/73/99/822657399.db2.gz WKULXGMSBTYBHJ-NHCUHLMSSA-N 1 0 397.567 4.030 20 0 GIADRO CC(C)Oc1cccc([C@H](C)NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000180300839 822659787 /nfs/dbraw/zinc/65/97/87/822659787.db2.gz CSXAAXZWMNRTMJ-SFHVURJKSA-N 1 0 396.535 4.146 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)c2cc(F)ccc2Br)CC1 ZINC000048402264 822659891 /nfs/dbraw/zinc/65/98/91/822659891.db2.gz REWFUOMQMAHSHQ-UHFFFAOYSA-N 1 0 385.321 4.172 20 0 GIADRO CC(C)(C)[NH+]1CCC(NC(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)CC1 ZINC000180306406 822660705 /nfs/dbraw/zinc/66/07/05/822660705.db2.gz PTUCFGMIPSHDBM-UHFFFAOYSA-N 1 0 393.491 4.274 20 0 GIADRO Cc1cc(C)c(NC(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)c(C)n1 ZINC000455472915 822661369 /nfs/dbraw/zinc/66/13/69/822661369.db2.gz JGRUGOJRGYKDSK-UHFFFAOYSA-N 1 0 395.290 4.416 20 0 GIADRO COc1ccccc1NC(=O)C[NH2+][C@H](COc1ccccc1F)c1ccccc1 ZINC000180310314 822661545 /nfs/dbraw/zinc/66/15/45/822661545.db2.gz SLBGYXJOFZJXLL-HXUWFJFHSA-N 1 0 394.446 4.183 20 0 GIADRO Cc1c(NC(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)cccc1-c1ncco1 ZINC000455476706 822661870 /nfs/dbraw/zinc/66/18/70/822661870.db2.gz AKGJLJLWTDMVCR-INIZCTEOSA-N 1 0 390.487 4.218 20 0 GIADRO C[C@@H]([NH2+]C[C@H](O)c1ccc(-c2ccccc2)cc1)c1ccc(-n2cncn2)cc1 ZINC000184587860 822662167 /nfs/dbraw/zinc/66/21/67/822662167.db2.gz OPSPFOHKVDWVND-KOSHJBKYSA-N 1 0 384.483 4.319 20 0 GIADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)Nc2ccc(F)cc2Br)C1 ZINC000048451452 822662985 /nfs/dbraw/zinc/66/29/85/822662985.db2.gz UZXMYXNZADGBGN-CYBMUJFWSA-N 1 0 386.309 4.222 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(F)cc1Br)c1cccs1 ZINC000048451606 822663014 /nfs/dbraw/zinc/66/30/14/822663014.db2.gz YHHVXOAIDHOSHO-ZDUSSCGKSA-N 1 0 386.290 4.074 20 0 GIADRO CSc1ccc([C@@H](CNC(=O)Nc2ccc3c(C)nn(C)c3c2)[NH+](C)C)cc1 ZINC000455483177 822663198 /nfs/dbraw/zinc/66/31/98/822663198.db2.gz URPXTCJTMWCWIH-HXUWFJFHSA-N 1 0 397.548 4.028 20 0 GIADRO Cc1c(NC(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)cccc1-c1ncco1 ZINC000455483840 822663408 /nfs/dbraw/zinc/66/34/08/822663408.db2.gz HEGHVCVLRRRWQK-OXJNMPFZSA-N 1 0 378.476 4.463 20 0 GIADRO CC(C)(C)CNC(=O)C(C)(C)[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000180334985 822665340 /nfs/dbraw/zinc/66/53/40/822665340.db2.gz SJRRTZLGJSFNAG-UHFFFAOYSA-N 1 0 392.341 4.028 20 0 GIADRO Cn1cc([C@@H](NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c2cccc(F)c2)cn1 ZINC000180337104 822665808 /nfs/dbraw/zinc/66/58/08/822665808.db2.gz UQUJPOOZYPENKE-JTSKRJEESA-N 1 0 398.551 4.212 20 0 GIADRO Cn1cc([C@H](NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c2cccc(F)c2)cn1 ZINC000180337124 822665857 /nfs/dbraw/zinc/66/58/57/822665857.db2.gz UQUJPOOZYPENKE-VGOFRKELSA-N 1 0 398.551 4.212 20 0 GIADRO Cc1cc(C)c(NC(=O)NCCNc2cccc(Br)c2)c(C)n1 ZINC000455498150 822666165 /nfs/dbraw/zinc/66/61/65/822666165.db2.gz RCNQSOACARPYRF-UHFFFAOYSA-N 1 0 377.286 4.003 20 0 GIADRO COc1cc([C@@H](C)[NH2+]C2(c3ccccc3)CCC2)ccc1S(=O)(=O)C(F)F ZINC000180347100 822667476 /nfs/dbraw/zinc/66/74/76/822667476.db2.gz JXPDLNRNRHOMNB-CQSZACIVSA-N 1 0 395.471 4.422 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)N1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000455506777 822668073 /nfs/dbraw/zinc/66/80/73/822668073.db2.gz ZEPNPEJLZACLTK-QGZVFWFLSA-N 1 0 393.934 4.213 20 0 GIADRO Cc1cc(NC(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)ccc1-c1ccncc1 ZINC000455511316 822668668 /nfs/dbraw/zinc/66/86/68/822668668.db2.gz QEISLORUZDPCAK-QGZVFWFLSA-N 1 0 378.520 4.395 20 0 GIADRO Cc1ccc([C@H]([NH2+]Cc2cccc(CS(C)(=O)=O)c2)c2ccccc2)cc1 ZINC000180353595 822668838 /nfs/dbraw/zinc/66/88/38/822668838.db2.gz HAWBTVCIIHBZEO-HSZRJFAPSA-N 1 0 379.525 4.419 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Nc2cccc(OCC#N)c2)C1 ZINC000048509298 822668819 /nfs/dbraw/zinc/66/88/19/822668819.db2.gz JXGFWSATOBDEDG-SFHVURJKSA-N 1 0 392.503 4.143 20 0 GIADRO CCOc1cccc2cc([C@@H](C)[NH2+]CC(=O)Nc3cc(OC)ccc3OC)oc21 ZINC000180354814 822668978 /nfs/dbraw/zinc/66/89/78/822668978.db2.gz NMFCWLNWFQIDHQ-CQSZACIVSA-N 1 0 398.459 4.138 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NCCCc1cccc(F)c1 ZINC000180355704 822669319 /nfs/dbraw/zinc/66/93/19/822669319.db2.gz LAHWQLSTUURDNT-UHFFFAOYSA-N 1 0 398.526 4.101 20 0 GIADRO CC(C)Oc1ccc2ccccc2c1C[NH2+][C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000184641411 822669741 /nfs/dbraw/zinc/66/97/41/822669741.db2.gz DAJOUODZRWWCKF-CTNGQTDRSA-N 1 0 375.534 4.072 20 0 GIADRO CC(C)Oc1ccc2ccccc2c1C[NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1 ZINC000184642353 822670021 /nfs/dbraw/zinc/67/00/21/822670021.db2.gz ZMWYGIPGOLEXRO-KRWDZBQOSA-N 1 0 387.487 4.454 20 0 GIADRO CCOc1cccc2cc([C@H](C)[NH2+]CC(=O)N(C)Cc3cccc(OC)c3)oc21 ZINC000180359461 822670082 /nfs/dbraw/zinc/67/00/82/822670082.db2.gz CMOPDFSDDLRYBQ-INIZCTEOSA-N 1 0 396.487 4.149 20 0 GIADRO COc1ccc([C@H](C)[C@H](C)Nc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)cc1 ZINC000184653381 822671151 /nfs/dbraw/zinc/67/11/51/822671151.db2.gz NNTLIUICBNKTLM-MSOLQXFVSA-N 1 0 383.536 4.498 20 0 GIADRO COc1ccc(NC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)c(C(F)(F)F)c1 ZINC000048549730 822671426 /nfs/dbraw/zinc/67/14/26/822671426.db2.gz PSAHVFVVPXNMQC-OAHLLOKOSA-N 1 0 395.425 4.008 20 0 GIADRO COc1ccc([C@@H](C[NH2+][C@H](C)c2ccccc2OC(F)F)N(C)C)cc1OC ZINC000180378583 822672468 /nfs/dbraw/zinc/67/24/68/822672468.db2.gz WOEFLGLZUFILOC-RHSMWYFYSA-N 1 0 394.462 4.259 20 0 GIADRO COc1ccc([C@H](C[NH2+][C@H](C)c2ccccc2OC(F)F)N(C)C)cc1OC ZINC000180378548 822672488 /nfs/dbraw/zinc/67/24/88/822672488.db2.gz WOEFLGLZUFILOC-PBHICJAKSA-N 1 0 394.462 4.259 20 0 GIADRO O=C(Nc1cc(F)cc(F)c1F)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000455540983 822672509 /nfs/dbraw/zinc/67/25/09/822672509.db2.gz MDHGTUZVSWKUPM-HZPDHXFCSA-N 1 0 389.421 4.090 20 0 GIADRO COc1ccc([C@@H](C[NH2+][C@H]2CCSc3c(F)cccc32)N(C)C)cc1OC ZINC000180378736 822672639 /nfs/dbraw/zinc/67/26/39/822672639.db2.gz ZDPDUASHOLGGMC-ZWKOTPCHSA-N 1 0 390.524 4.272 20 0 GIADRO COc1ccc([C@@H](C[NH2+][C@H]2CCSc3ccc(F)cc32)N(C)C)cc1OC ZINC000180381497 822673062 /nfs/dbraw/zinc/67/30/62/822673062.db2.gz STNGNOXFHLTQLH-ZWKOTPCHSA-N 1 0 390.524 4.272 20 0 GIADRO C[C@H](NC(=O)Nc1cc(F)cc(F)c1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000455554336 822674139 /nfs/dbraw/zinc/67/41/39/822674139.db2.gz PRIGCPUNRUOBAG-DZGCQCFKSA-N 1 0 377.410 4.136 20 0 GIADRO Brc1ccc2[nH]c(C[NH2+]C3CCN(Cc4cccnc4)CC3)cc2c1 ZINC000184677276 822674715 /nfs/dbraw/zinc/67/47/15/822674715.db2.gz KNHCYBGABDXTDL-UHFFFAOYSA-N 1 0 399.336 4.080 20 0 GIADRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)Nc1cc(F)cc(F)c1F ZINC000455570901 822676338 /nfs/dbraw/zinc/67/63/38/822676338.db2.gz XKJLIJISYIYACH-LBPRGKRZSA-N 1 0 383.439 4.199 20 0 GIADRO O=C(c1ccc(C[NH2+][C@@H]2CSCCc3ccccc32)cc1)N1CCCCC1 ZINC000180410851 822677212 /nfs/dbraw/zinc/67/72/12/822677212.db2.gz ATERZMLAIMLFNA-JOCHJYFZSA-N 1 0 380.557 4.433 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)C3(c4ccc(F)cc4)CC3)cc2)CC1 ZINC000180416552 822678081 /nfs/dbraw/zinc/67/80/81/822678081.db2.gz PVMWYRBZPOTVQM-UHFFFAOYSA-N 1 0 381.495 4.026 20 0 GIADRO C[C@H]([NH2+]Cc1cn(C)nc1-c1ccccc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000180416941 822678113 /nfs/dbraw/zinc/67/81/13/822678113.db2.gz JGJTVDVWGHECEH-INIZCTEOSA-N 1 0 389.503 4.222 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)N[C@@H]2CCCOc3cc(Cl)ccc32)cc1 ZINC000180418992 822678385 /nfs/dbraw/zinc/67/83/85/822678385.db2.gz WYLWBMSJLUUVSL-LJQANCHMSA-N 1 0 387.911 4.115 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]1CSc2ccccc21 ZINC000180420750 822678681 /nfs/dbraw/zinc/67/86/81/822678681.db2.gz LUUSYKKTZJIQAQ-HXUWFJFHSA-N 1 0 381.545 4.036 20 0 GIADRO CCOc1ccc(C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)cc1OCC ZINC000180421987 822678856 /nfs/dbraw/zinc/67/88/56/822678856.db2.gz DSLOKFDUSRXCIB-UHFFFAOYSA-N 1 0 382.504 4.335 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)N[C@H](c2ccccc2)C(F)F)[C@@H]1c1cccs1 ZINC000455587665 822679278 /nfs/dbraw/zinc/67/92/78/822679278.db2.gz GLNUETYSUDAYHL-KBAYOESNSA-N 1 0 393.503 4.437 20 0 GIADRO CC[C@@H](C)C(=O)Nc1cccc(C[NH2+][C@H](C)c2sc(CCOC)nc2C)c1 ZINC000180423931 822679270 /nfs/dbraw/zinc/67/92/70/822679270.db2.gz VLLLLRPWFUTIMG-HUUCEWRRSA-N 1 0 389.565 4.476 20 0 GIADRO CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@H](C)c2sc(CCOC)nc2C)c1 ZINC000180423951 822679277 /nfs/dbraw/zinc/67/92/77/822679277.db2.gz VLLLLRPWFUTIMG-LSDHHAIUSA-N 1 0 389.565 4.476 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)C(C)(C)c3ccc(F)cc3)cc2)CC1 ZINC000180426885 822679612 /nfs/dbraw/zinc/67/96/12/822679612.db2.gz LUPGMQFDTSHEKK-UHFFFAOYSA-N 1 0 383.511 4.272 20 0 GIADRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2cc(Cl)cc(OC)c2O)ccc1OC ZINC000184707786 822679905 /nfs/dbraw/zinc/67/99/05/822679905.db2.gz PDXIGIWAZGRNOW-INIZCTEOSA-N 1 0 390.867 4.034 20 0 GIADRO COc1ccc(CC[C@@H](C)NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000184708475 822680174 /nfs/dbraw/zinc/68/01/74/822680174.db2.gz IVDCRZLPQYSBDT-HXUWFJFHSA-N 1 0 394.559 4.435 20 0 GIADRO Cc1ccc(C[NH2+]Cc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)cc1 ZINC000048744990 822680729 /nfs/dbraw/zinc/68/07/29/822680729.db2.gz SSMAWSAESDBHQO-UHFFFAOYSA-N 1 0 390.506 4.146 20 0 GIADRO CCCOc1ccccc1Oc1ncccc1C[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000048745825 822680939 /nfs/dbraw/zinc/68/09/39/822680939.db2.gz GIWJUMLEIQWXMS-UHFFFAOYSA-N 1 0 391.471 4.051 20 0 GIADRO CCCOc1cccc(C[NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)c1 ZINC000048748512 822681016 /nfs/dbraw/zinc/68/10/16/822681016.db2.gz ATQWVRVHHWROSG-UHFFFAOYSA-N 1 0 378.472 4.288 20 0 GIADRO Cc1nc(-c2ccccc2Br)sc1[C@H](C)[NH2+]CCn1cccn1 ZINC000180434389 822681100 /nfs/dbraw/zinc/68/11/00/822681100.db2.gz JRBUJKFQVRDKIK-LBPRGKRZSA-N 1 0 391.338 4.428 20 0 GIADRO CC[C@H]([NH2+]Cc1cccc(C(F)(F)F)c1)c1ccccc1OCC(=O)NC ZINC000048749874 822681201 /nfs/dbraw/zinc/68/12/01/822681201.db2.gz GVIOZTFLUDPFJS-KRWDZBQOSA-N 1 0 380.410 4.071 20 0 GIADRO O=C(NCCC1CC(F)(F)C1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000455598443 822681696 /nfs/dbraw/zinc/68/16/96/822681696.db2.gz NVMWFDGQZUEMSJ-NRFANRHFSA-N 1 0 391.506 4.120 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(Br)c(C3CC3)n2)C[C@@H]1C ZINC000455600719 822681949 /nfs/dbraw/zinc/68/19/49/822681949.db2.gz RINAXJLIOSJESC-GXTWGEPZSA-N 1 0 395.345 4.058 20 0 GIADRO CC1(C(=O)N2CCC(OC3CCCC3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000184727159 822682723 /nfs/dbraw/zinc/68/27/23/822682723.db2.gz KBIGIZZLNFFZCH-UHFFFAOYSA-N 1 0 384.564 4.239 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]1C[C@@]12CCc1ccccc12 ZINC000180441896 822682792 /nfs/dbraw/zinc/68/27/92/822682792.db2.gz HRAZSLWHRGEELV-UKILVPOCSA-N 1 0 389.543 4.051 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1cc(F)c(Cl)cc1F ZINC000180444630 822683123 /nfs/dbraw/zinc/68/31/23/822683123.db2.gz UZGUIEHUOITCKP-UHFFFAOYSA-N 1 0 393.865 4.392 20 0 GIADRO CC(=O)Nc1cccc(OCC[NH2+][C@H](C)c2ccc(Br)s2)c1 ZINC000180447236 822683771 /nfs/dbraw/zinc/68/37/71/822683771.db2.gz QJOIOIOSBIKCTB-LLVKDONJSA-N 1 0 383.311 4.199 20 0 GIADRO CCNC(=O)c1cccc(C[NH2+]Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)c1 ZINC000048816454 822684205 /nfs/dbraw/zinc/68/42/05/822684205.db2.gz UJWCPRSJBSRNNS-UHFFFAOYSA-N 1 0 396.922 4.182 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000180449719 822684316 /nfs/dbraw/zinc/68/43/16/822684316.db2.gz YDOXBIRJOHMOQU-UXHICEINSA-N 1 0 399.485 4.228 20 0 GIADRO COc1cccc2[nH]cc(CC[NH2+]Cc3ccc(OCc4ccncc4)cc3)c21 ZINC000180451657 822684720 /nfs/dbraw/zinc/68/47/20/822684720.db2.gz LEJUPQVEKTVJES-UHFFFAOYSA-N 1 0 387.483 4.483 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)Nc2cccc(C3CC3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000455621180 822685545 /nfs/dbraw/zinc/68/55/45/822685545.db2.gz QJUNFDMYNUXGNW-PXNSSMCTSA-N 1 0 378.520 4.476 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CC(C)(C)c2ccc(OC)cc2)cc1 ZINC000180460184 822686078 /nfs/dbraw/zinc/68/60/78/822686078.db2.gz DCXPFBMMQWZUKG-MRXNPFEDSA-N 1 0 390.549 4.085 20 0 GIADRO COc1cccc2[nH]cc(CC[NH2+]Cc3ccccc3OCc3cccnc3)c21 ZINC000180460089 822686085 /nfs/dbraw/zinc/68/60/85/822686085.db2.gz HYXKCKSCAWVTRC-UHFFFAOYSA-N 1 0 387.483 4.483 20 0 GIADRO C[N@H+](CCCCNC(=O)N(Cc1ccc(F)cc1Cl)CC1CC1)C1CC1 ZINC000455624930 822686146 /nfs/dbraw/zinc/68/61/46/822686146.db2.gz WZSPOYOQBUIQRY-UHFFFAOYSA-N 1 0 381.923 4.275 20 0 GIADRO CCC(CC)n1nc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1C ZINC000180466468 822687222 /nfs/dbraw/zinc/68/72/22/822687222.db2.gz BWYUUVIDAOWZPQ-KRWDZBQOSA-N 1 0 388.581 4.256 20 0 GIADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F ZINC000455639440 822688925 /nfs/dbraw/zinc/68/89/25/822688925.db2.gz MGOJMUUEJNNTJY-LLVKDONJSA-N 1 0 393.837 4.433 20 0 GIADRO Cc1ccc(NC(=O)C[C@H](C)[NH2+]Cc2nc3ccccc3n2C2CC2)c(C)c1 ZINC000184776945 822689415 /nfs/dbraw/zinc/68/94/15/822689415.db2.gz WKNTXNDVQUMVDY-KRWDZBQOSA-N 1 0 376.504 4.495 20 0 GIADRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CCn3c(C)csc3=O)s2)cc1 ZINC000184791765 822691540 /nfs/dbraw/zinc/69/15/40/822691540.db2.gz CJUPTEWNYIPJMN-CYBMUJFWSA-N 1 0 389.546 4.010 20 0 GIADRO O=C(N[C@@H](c1ccccc1)C(F)F)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000455650679 822691592 /nfs/dbraw/zinc/69/15/92/822691592.db2.gz NRMWTJFJBOBZFL-IBGZPJMESA-N 1 0 379.495 4.290 20 0 GIADRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CC(=O)N(C(C)C)C(C)C)s2)cc1 ZINC000184793093 822691724 /nfs/dbraw/zinc/69/17/24/822691724.db2.gz BZJQMTHSEVKEGV-OAHLLOKOSA-N 1 0 389.565 4.423 20 0 GIADRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CC(=O)N3CCC[C@H](C)C3)s2)cc1 ZINC000184792975 822691839 /nfs/dbraw/zinc/69/18/39/822691839.db2.gz SZDMWUGPOKSABF-GJZGRUSLSA-N 1 0 387.549 4.036 20 0 GIADRO CCCc1noc2nc(C3CC3)cc(C(=O)N3CCC(C[NH+]4CCCC4)CC3)c12 ZINC000049072850 822692182 /nfs/dbraw/zinc/69/21/82/822692182.db2.gz XEKJSNRWRXGMQL-UHFFFAOYSA-N 1 0 396.535 4.001 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000049072959 822692207 /nfs/dbraw/zinc/69/22/07/822692207.db2.gz BVKIYPULCDXPOD-UHFFFAOYSA-N 1 0 387.524 4.206 20 0 GIADRO O=C(COc1ccccc1-c1ccccc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000049073001 822692210 /nfs/dbraw/zinc/69/22/10/822692210.db2.gz SUTYGJVKRUCSTQ-UHFFFAOYSA-N 1 0 378.516 4.067 20 0 GIADRO COc1ccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)c(OC(F)F)c1 ZINC000180504935 822692600 /nfs/dbraw/zinc/69/26/00/822692600.db2.gz JXPZEBYBQLGJNA-ZBFHGGJFSA-N 1 0 383.460 4.446 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)Nc1ccc([C@H]2CCOC2)cc1 ZINC000455656907 822692834 /nfs/dbraw/zinc/69/28/34/822692834.db2.gz CDSVNVSCVMYMPT-UGKGYDQZSA-N 1 0 393.531 4.319 20 0 GIADRO CCN(C(=O)Nc1ccc([C@H]2CCOC2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000455659597 822693738 /nfs/dbraw/zinc/69/37/38/822693738.db2.gz GPBFVJFSGMCCCF-GMAHTHKFSA-N 1 0 393.531 4.319 20 0 GIADRO CS(=O)(=O)c1cccc([C@@H]([NH2+]C[C@H]2CCc3ccccc32)c2ccccc2)c1 ZINC000180517436 822695064 /nfs/dbraw/zinc/69/50/64/822695064.db2.gz MBOREFYIYCAWTB-QPPBQGQZSA-N 1 0 391.536 4.499 20 0 GIADRO Cc1n[nH]c(C)c1[C@H]1CCCN1CC(=O)Nc1ccccc1SC(F)F ZINC000180525101 822696132 /nfs/dbraw/zinc/69/61/32/822696132.db2.gz RYUCGRLBSOSCPN-CQSZACIVSA-N 1 0 380.464 4.117 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)Nc1ccc([C@@H]2CCOC2)cc1 ZINC000455677432 822698359 /nfs/dbraw/zinc/69/83/59/822698359.db2.gz VHAFPEKQNSQENA-QUCCMNQESA-N 1 0 383.492 4.132 20 0 GIADRO CSc1nnc(CCC[NH2+][C@@H](c2ccccc2)c2ccccn2)n1CC(C)C ZINC000180538658 822698719 /nfs/dbraw/zinc/69/87/19/822698719.db2.gz HIGOTAZNYAWGKX-NRFANRHFSA-N 1 0 395.576 4.363 20 0 GIADRO CCc1nn(C)cc1C[NH+]1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000180542598 822699108 /nfs/dbraw/zinc/69/91/08/822699108.db2.gz ZRZAKMRPCSKPPH-UHFFFAOYSA-N 1 0 382.335 4.471 20 0 GIADRO COc1cc([C@H](C)NC(=O)NCc2cccc(C[NH+](C)C)c2)ccc1OC(C)C ZINC000049331677 822699370 /nfs/dbraw/zinc/69/93/70/822699370.db2.gz DWKASYDHSNVSLR-KRWDZBQOSA-N 1 0 399.535 4.104 20 0 GIADRO Cc1cccc(-c2cncc(C(=O)NCC3CCN(c4cc[nH+]cc4)CC3)c2)c1 ZINC000180551289 822700577 /nfs/dbraw/zinc/70/05/77/822700577.db2.gz WDOPRKFPKXVEDX-UHFFFAOYSA-N 1 0 386.499 4.098 20 0 GIADRO Cc1nc(-c2cccs2)ccc1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180551770 822700802 /nfs/dbraw/zinc/70/08/02/822700802.db2.gz KVLLRMDBHVCCLH-UHFFFAOYSA-N 1 0 392.528 4.160 20 0 GIADRO Cn1cc([C@H]([NH2+]C[C@@H](O)c2cc(Cl)cc(Cl)c2)c2cccc(F)c2)cn1 ZINC000180573498 822704726 /nfs/dbraw/zinc/70/47/26/822704726.db2.gz WWJOVZTYULGNSN-RTBURBONSA-N 1 0 394.277 4.279 20 0 GIADRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)Nc1nc(CC(F)(F)F)cs1 ZINC000455696154 822704880 /nfs/dbraw/zinc/70/48/80/822704880.db2.gz HWTVWRCNMQFWQB-OAHLLOKOSA-N 1 0 398.454 4.207 20 0 GIADRO Cc1cccnc1C[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000180575798 822705096 /nfs/dbraw/zinc/70/50/96/822705096.db2.gz XITHQXRCBUUXIR-UHFFFAOYSA-N 1 0 388.309 4.003 20 0 GIADRO O=C1O[C@@H](C[NH2+][C@@H](CC(F)(F)F)c2ccc(F)cc2)CN1c1ccccc1 ZINC000180580061 822705753 /nfs/dbraw/zinc/70/57/53/822705753.db2.gz UKLRJQOUKORQTG-IRXDYDNUSA-N 1 0 382.357 4.434 20 0 GIADRO Fc1ccc(C([NH2+]CCCOCC2CCOCC2)c2ccc(F)cc2)cc1 ZINC000180598911 822708448 /nfs/dbraw/zinc/70/84/48/822708448.db2.gz DKOOHNFQNRAXJJ-UHFFFAOYSA-N 1 0 375.459 4.477 20 0 GIADRO COc1cc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c(SC)cc1OC ZINC000180601091 822709063 /nfs/dbraw/zinc/70/90/63/822709063.db2.gz JYHWYMHMKMRTOY-CVEARBPZSA-N 1 0 377.506 4.107 20 0 GIADRO O[C@@H](C[C@@H]1CCC[N@@H+]1Cc1ccccc1OCc1cccnc1)c1ccco1 ZINC000180603662 822709975 /nfs/dbraw/zinc/70/99/75/822709975.db2.gz JZKYXGTWOJHIRM-SFTDATJTSA-N 1 0 378.472 4.342 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)N3CCc4c(Cl)cccc4C3)c2)CC1 ZINC000184900827 822710064 /nfs/dbraw/zinc/71/00/64/822710064.db2.gz SXFMRRKHKULURV-UHFFFAOYSA-N 1 0 398.938 4.072 20 0 GIADRO COc1cccc([C@H](CNC(=O)N(C)[C@@H]2CCCc3ccccc32)[NH+](C)C)c1 ZINC000049798662 822710306 /nfs/dbraw/zinc/71/03/06/822710306.db2.gz AKCUTRCHEZNMCQ-YADHBBJMSA-N 1 0 381.520 4.017 20 0 GIADRO CCC(C)(C)NC(=O)C[NH2+][C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000180608094 822711179 /nfs/dbraw/zinc/71/11/79/822711179.db2.gz ORKOFANBUFBQJN-HNNXBMFYSA-N 1 0 385.483 4.033 20 0 GIADRO CC(C)N(C(=O)C[NH2+][C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1)C(C)C ZINC000180609258 822711537 /nfs/dbraw/zinc/71/15/37/822711537.db2.gz BMNXYFQBOBHWKE-QGZVFWFLSA-N 1 0 399.510 4.374 20 0 GIADRO CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1[NH2+][C@@H](CCCO)c1ccccc1 ZINC000180613085 822712537 /nfs/dbraw/zinc/71/25/37/822712537.db2.gz CRBAIAZBJGURQR-SLFFLAALSA-N 1 0 376.541 4.173 20 0 GIADRO COc1ccc([C@H](C)[NH2+]C[C@H](O)c2ccc(F)c(Br)c2)cc1F ZINC000184916996 822712675 /nfs/dbraw/zinc/71/26/75/822712675.db2.gz PIADABXYDONUSL-QFYYESIMSA-N 1 0 386.236 4.120 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)N[C@@H](c3ncccc3C)C(C)C)c2)CC1 ZINC000184924692 822713982 /nfs/dbraw/zinc/71/39/82/822713982.db2.gz NSTVRIVVLNUFAS-OAQYLSRUSA-N 1 0 395.551 4.051 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cccc3cc(C(=O)OC)sc32)C[C@H]1C ZINC000455724081 822714059 /nfs/dbraw/zinc/71/40/59/822714059.db2.gz ZSNFQNBFBKZRGF-UKRRQHHQSA-N 1 0 389.521 4.024 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)c2ccccc21)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000184925373 822714301 /nfs/dbraw/zinc/71/43/01/822714301.db2.gz OZZAHDUUABRBDG-UONOGXRCSA-N 1 0 395.890 4.270 20 0 GIADRO CCc1ccc(-c2noc(CN[C@H](CC)c3ccc4c(c3)OCCO4)n2)cc1 ZINC000180623777 822714763 /nfs/dbraw/zinc/71/47/63/822714763.db2.gz NMFGJSZAMSVBID-GOSISDBHSA-N 1 0 379.460 4.311 20 0 GIADRO CCN(CC)C(=O)c1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000050026864 822714870 /nfs/dbraw/zinc/71/48/70/822714870.db2.gz AHVBBQSIKDMRPP-NRFANRHFSA-N 1 0 393.531 4.019 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)Nc2ccccc2OCCF)CC1 ZINC000455727356 822715143 /nfs/dbraw/zinc/71/51/43/822715143.db2.gz WSPNVGPFXMBMSJ-QGZVFWFLSA-N 1 0 385.483 4.382 20 0 GIADRO O=C(Nc1ccccc1OCCF)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000455729007 822715484 /nfs/dbraw/zinc/71/54/84/822715484.db2.gz BIKQAZRFEMTRGN-HSZRJFAPSA-N 1 0 397.494 4.165 20 0 GIADRO C[C@H](C[NH2+][C@@H](C[S@](C)=O)c1ccccc1)c1cccc(Br)c1 ZINC000184938180 822715836 /nfs/dbraw/zinc/71/58/36/822715836.db2.gz YHDMCFYFMRBEHD-GHNFSYLKSA-N 1 0 380.351 4.262 20 0 GIADRO Cc1sc([C@H](C)[NH2+]C[C@@H](O)COCC(C)C)nc1-c1ccc(Cl)cc1 ZINC000184942026 822716384 /nfs/dbraw/zinc/71/63/84/822716384.db2.gz XALMGXACTNDVOX-SUMWQHHRSA-N 1 0 382.957 4.456 20 0 GIADRO CCCN(CCN1CC[NH+](CC)CC1)C(=O)Nc1cc(C)cc2ccccc21 ZINC000455742016 822718013 /nfs/dbraw/zinc/71/80/13/822718013.db2.gz MSDLKWPHUDHNLG-UHFFFAOYSA-N 1 0 382.552 4.030 20 0 GIADRO CCCn1ncc(NC(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](CC)C2)c1C1CC1 ZINC000455747306 822718887 /nfs/dbraw/zinc/71/88/87/822718887.db2.gz GHBQUERJFMLYFH-FQEVSTJZSA-N 1 0 395.551 4.299 20 0 GIADRO CCN(C)C(=O)C[NH2+][C@H](C)c1sc(-c2ccccc2Br)nc1C ZINC000184963489 822719192 /nfs/dbraw/zinc/71/91/92/822719192.db2.gz FMMILEVMKCEJGH-LLVKDONJSA-N 1 0 396.354 4.010 20 0 GIADRO CSc1cccc(C)c1NC(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000184965614 822719466 /nfs/dbraw/zinc/71/94/66/822719466.db2.gz NBDXAZKUBHKPBZ-UHFFFAOYSA-N 1 0 387.549 4.369 20 0 GIADRO CN(C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@H]1CCc2ccccc21 ZINC000050137057 822719984 /nfs/dbraw/zinc/71/99/84/822719984.db2.gz MVDJSBOMCIXYFJ-UWJYYQICSA-N 1 0 383.561 4.289 20 0 GIADRO Cc1cc([C@H]2CCCN2C(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)on1 ZINC000050156492 822720507 /nfs/dbraw/zinc/72/05/07/822720507.db2.gz WOKCNFXSEYDBBF-RTWAWAEBSA-N 1 0 396.535 4.303 20 0 GIADRO COCc1ccccc1CNC(=O)C[NH2+][C@H](Cc1ccccc1)c1cccs1 ZINC000184978086 822720724 /nfs/dbraw/zinc/72/07/24/822720724.db2.gz XXLQJRSOWHLJNX-OAQYLSRUSA-N 1 0 394.540 4.084 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)Nc2c(C)ccc(F)c2Br)CC1 ZINC000455760229 822721246 /nfs/dbraw/zinc/72/12/46/822721246.db2.gz XNYDZIDJHDNXOT-UHFFFAOYSA-N 1 0 386.309 4.235 20 0 GIADRO CCCn1ncc(NC(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)c1C1CC1 ZINC000455761783 822721617 /nfs/dbraw/zinc/72/16/17/822721617.db2.gz ZBWKCDCQVXJNDL-UHFFFAOYSA-N 1 0 383.540 4.203 20 0 GIADRO CCOC(=O)Nc1ccc2c(C[N@H+](Cc3ccccn3)C(C)C)cc(=O)oc2c1 ZINC000050206875 822721838 /nfs/dbraw/zinc/72/18/38/822721838.db2.gz PFMDKHRDRZUOPU-UHFFFAOYSA-N 1 0 395.459 4.167 20 0 GIADRO CCOc1ccc(C[NH2+][C@@H](C)c2cc(Br)ccc2O)cc1OC ZINC000185009241 822724869 /nfs/dbraw/zinc/72/48/69/822724869.db2.gz BOXIXPNQNPZWKH-LBPRGKRZSA-N 1 0 380.282 4.413 20 0 GIADRO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C(=O)Nc1ccccc1C(C)(F)F ZINC000455777587 822724912 /nfs/dbraw/zinc/72/49/12/822724912.db2.gz UPOKWSKNHWOJIP-LPHOPBHVSA-N 1 0 388.462 4.350 20 0 GIADRO COCCOc1ccc(C[NH2+][C@H](C)c2cc(Br)ccc2O)cc1 ZINC000185011984 822725073 /nfs/dbraw/zinc/72/50/73/822725073.db2.gz MATPNWOJKCJERB-CYBMUJFWSA-N 1 0 380.282 4.031 20 0 GIADRO COc1ccc(C[N@@H+]2CCCN(C(=O)c3c(C)oc4ccccc43)CC2)cc1 ZINC000185033365 822727474 /nfs/dbraw/zinc/72/74/74/822727474.db2.gz RSFJQWXENBCEJJ-UHFFFAOYSA-N 1 0 378.472 4.098 20 0 GIADRO CCCNC(=O)c1cccc(C[NH2+][C@H](C)c2cc(Br)ccc2O)c1 ZINC000185048210 822729146 /nfs/dbraw/zinc/72/91/46/822729146.db2.gz DNPHZRZVFOHHQP-CYBMUJFWSA-N 1 0 391.309 4.145 20 0 GIADRO COc1cc(OC)c(C[NH2+][C@@H](C)c2cc(Br)ccc2O)c(OC)c1 ZINC000185065836 822731735 /nfs/dbraw/zinc/73/17/35/822731735.db2.gz BUUIHFARHQRFSS-NSHDSACASA-N 1 0 396.281 4.031 20 0 GIADRO CCCn1ncc(NC(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)c1C1CC1 ZINC000455823469 822732377 /nfs/dbraw/zinc/73/23/77/822732377.db2.gz GEBYJJXATVEZBV-NRFANRHFSA-N 1 0 395.551 4.438 20 0 GIADRO CCCn1ncc(NC(=O)NC[C@@H](c2ccc(CC)cc2)[NH+](C)C)c1C1CC1 ZINC000455827381 822732982 /nfs/dbraw/zinc/73/29/82/822732982.db2.gz KBFDJMSERSTACK-FQEVSTJZSA-N 1 0 383.540 4.157 20 0 GIADRO Cc1nc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c(-c2ccccc2)o1 ZINC000185072845 822733020 /nfs/dbraw/zinc/73/30/20/822733020.db2.gz OPUCHJIMBMAZRX-DYESRHJHSA-N 1 0 389.499 4.433 20 0 GIADRO C[NH+](C)C[C@H]1CCN(C(=O)Nc2ccc(Cl)cc2OCc2ccccc2)C1 ZINC000455836849 822734420 /nfs/dbraw/zinc/73/44/20/822734420.db2.gz DXFZEHAWSKLSTQ-QGZVFWFLSA-N 1 0 387.911 4.334 20 0 GIADRO CCCn1ncc(NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1C1CC1 ZINC000455839838 822734922 /nfs/dbraw/zinc/73/49/22/822734922.db2.gz WRHNGRDCKHJGCF-FQEVSTJZSA-N 1 0 381.524 4.129 20 0 GIADRO CO[C@H](c1ccccc1F)[C@H](C)NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455840222 822735083 /nfs/dbraw/zinc/73/50/83/822735083.db2.gz DCYZIZNJUPKUAK-DLPLYFIVSA-N 1 0 385.483 4.272 20 0 GIADRO O=C(CCCOCc1ccccc1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000050630799 822735328 /nfs/dbraw/zinc/73/53/28/822735328.db2.gz WLKNFBRZFKNJDC-UHFFFAOYSA-N 1 0 386.561 4.073 20 0 GIADRO O=C(C[NH2+][C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1)Nc1ccccc1 ZINC000185090573 822735614 /nfs/dbraw/zinc/73/56/14/822735614.db2.gz RUGFGJLZPCESRG-NRFANRHFSA-N 1 0 388.446 4.145 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CCO[C@H](c4cccc(Cl)c4)C3)ccc21 ZINC000455846283 822736146 /nfs/dbraw/zinc/73/61/46/822736146.db2.gz IENYVNQWUXCTPJ-SFTDATJTSA-N 1 0 399.922 4.494 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CCc4[nH]c5ccc(F)cc5c4C3)ccc21 ZINC000455850197 822736731 /nfs/dbraw/zinc/73/67/31/822736731.db2.gz KKQLYHWJAISRMR-QFIPXVFZSA-N 1 0 392.478 4.446 20 0 GIADRO COCC[N@H+](C)CC[C@H](NC(=O)Nc1scnc1C(C)C)c1ccccc1 ZINC000455852929 822737215 /nfs/dbraw/zinc/73/72/15/822737215.db2.gz WDSYDUMREHDFRZ-KRWDZBQOSA-N 1 0 390.553 4.098 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCc3ccsc3Br)ccc21 ZINC000455858255 822738274 /nfs/dbraw/zinc/73/82/74/822738274.db2.gz PFGJQPFKENYCTG-OAHLLOKOSA-N 1 0 394.338 4.381 20 0 GIADRO CC(C)Oc1ccc([C@@H](CNC(=O)Nc2scnc2C(C)C)[NH+](C)C)cc1 ZINC000455859902 822738578 /nfs/dbraw/zinc/73/85/78/822738578.db2.gz GUFBBKYLJLRZLN-QGZVFWFLSA-N 1 0 390.553 4.478 20 0 GIADRO CN(Cc1cc(F)c(F)c(F)c1)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455862490 822739049 /nfs/dbraw/zinc/73/90/49/822739049.db2.gz RUOXRMSZIAGYII-SFHVURJKSA-N 1 0 377.410 4.317 20 0 GIADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(CSCC)cc2)[C@@H](C)C1 ZINC000455864397 822739242 /nfs/dbraw/zinc/73/92/42/822739242.db2.gz RAAQSCXTOVXVON-FXAWDEMLSA-N 1 0 393.597 4.198 20 0 GIADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(CSCC)cc2)[C@@H](C)C1 ZINC000455864398 822739263 /nfs/dbraw/zinc/73/92/63/822739263.db2.gz RAAQSCXTOVXVON-PXNSSMCTSA-N 1 0 393.597 4.198 20 0 GIADRO CC(C)n1ncc2cc(C[NH2+]C[C@](C)(O)c3cccc(Cl)c3)c(Cl)nc21 ZINC000185119273 822739352 /nfs/dbraw/zinc/73/93/52/822739352.db2.gz POIXPVCVURKLOB-IBGZPJMESA-N 1 0 393.318 4.316 20 0 GIADRO COCc1ccc([C@H]2CCCN2C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)o1 ZINC000455865898 822739398 /nfs/dbraw/zinc/73/93/98/822739398.db2.gz UOBJZBPFFGXCTG-WOJBJXKFSA-N 1 0 383.492 4.344 20 0 GIADRO CN(Cc1ccccc1N1CCCC1)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455884992 822742407 /nfs/dbraw/zinc/74/24/07/822742407.db2.gz WAIXVZMPUCTNPG-QHCPKHFHSA-N 1 0 392.547 4.500 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CCC(OCc4ccccc4)CC3)ccc21 ZINC000455891577 822743360 /nfs/dbraw/zinc/74/33/60/822743360.db2.gz BVBWCWCVOFDMMC-QHCPKHFHSA-N 1 0 393.531 4.449 20 0 GIADRO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000185155516 822743735 /nfs/dbraw/zinc/74/37/35/822743735.db2.gz VVLQKBLRINPAKZ-LLVKDONJSA-N 1 0 381.354 4.034 20 0 GIADRO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000185155498 822743821 /nfs/dbraw/zinc/74/38/21/822743821.db2.gz VVLQKBLRINPAKZ-NSHDSACASA-N 1 0 381.354 4.034 20 0 GIADRO COc1ccc(CCCNC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)cc1OC ZINC000455897853 822744434 /nfs/dbraw/zinc/74/44/34/822744434.db2.gz DSZQLZHGVHMPNG-FQEVSTJZSA-N 1 0 397.519 4.007 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N(CCc3ccccc3)[C@H]3CCOC3)ccc21 ZINC000455902896 822745428 /nfs/dbraw/zinc/74/54/28/822745428.db2.gz GNSGDASHJHUQBQ-GMAHTHKFSA-N 1 0 393.531 4.101 20 0 GIADRO C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000185176768 822745713 /nfs/dbraw/zinc/74/57/13/822745713.db2.gz IERYKISGHZMGCR-MDYRTPRTSA-N 1 0 388.939 4.024 20 0 GIADRO COCCN(CCCc1ccccc1)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455904284 822745786 /nfs/dbraw/zinc/74/57/86/822745786.db2.gz HCEUQYDJXSXIJO-QHCPKHFHSA-N 1 0 395.547 4.349 20 0 GIADRO C[C@H](NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)c1cccc(-n2cccn2)c1 ZINC000455905457 822746275 /nfs/dbraw/zinc/74/62/75/822746275.db2.gz HNPQDHXVQKYMNY-AOMKIAJQSA-N 1 0 389.503 4.304 20 0 GIADRO C[NH+](C)Cc1ccc(NC(=O)[C@H]2CCCN(c3nc4ccccc4s3)C2)cc1 ZINC000051084513 822746307 /nfs/dbraw/zinc/74/63/07/822746307.db2.gz PEQRDIKQMKTHTJ-KRWDZBQOSA-N 1 0 394.544 4.213 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1cc2c(cc1Br)OCCO2 ZINC000185180372 822746316 /nfs/dbraw/zinc/74/63/16/822746316.db2.gz MXGKYFIFKAECBT-MNOVXSKESA-N 1 0 396.256 4.477 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)NC[C@H]3CCN(c4ccc(F)cc4)C3)ccc21 ZINC000455906971 822746554 /nfs/dbraw/zinc/74/65/54/822746554.db2.gz HVJFZBTVACNHMA-ZHRRBRCNSA-N 1 0 396.510 4.023 20 0 GIADRO COc1ccc([C@@H](CNC(=O)Nc2scnc2C(C)C)[NH+]2CCCC2)cc1 ZINC000455907437 822746556 /nfs/dbraw/zinc/74/65/56/822746556.db2.gz YIESQCLZTVYNLC-QGZVFWFLSA-N 1 0 388.537 4.234 20 0 GIADRO COc1ccc(OC)c([C@H](O)C[N@@H+]2CCC[C@@H]2c2nc3ccccc3s2)c1 ZINC000051117797 822746603 /nfs/dbraw/zinc/74/66/03/822746603.db2.gz ZXJNNWJDIQUIIE-QZTJIDSGSA-N 1 0 384.501 4.184 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCc3ccccc3Br)ccc21 ZINC000455909048 822746892 /nfs/dbraw/zinc/74/68/92/822746892.db2.gz IJTJZRUFGUWZNP-GOSISDBHSA-N 1 0 388.309 4.320 20 0 GIADRO CCc1ccc(NC(=O)N(Cc2ccncc2)C[C@H]2CCC[N@H+]2CC)cc1OC ZINC000455910072 822747197 /nfs/dbraw/zinc/74/71/97/822747197.db2.gz PKIIJFJESXXLSM-OAQYLSRUSA-N 1 0 396.535 4.171 20 0 GIADRO CCOc1ccccc1NC(=O)C[N@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133433 822747434 /nfs/dbraw/zinc/74/74/34/822747434.db2.gz DDPAYRAECKXNBG-WMZHIEFXSA-N 1 0 382.504 4.124 20 0 GIADRO CCOc1ccc(NC(=O)C[N@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)cc1 ZINC000051133233 822747595 /nfs/dbraw/zinc/74/75/95/822747595.db2.gz ZAQXKAVIKNOILO-WMZHIEFXSA-N 1 0 382.504 4.124 20 0 GIADRO O[C@H](C[NH+]1CCC(OCc2ccccc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000051181761 822749296 /nfs/dbraw/zinc/74/92/96/822749296.db2.gz FERHYNFCKCQUET-HXUWFJFHSA-N 1 0 379.422 4.420 20 0 GIADRO COc1ccccc1[C@@H]1CCN(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1 ZINC000455922521 822750050 /nfs/dbraw/zinc/75/00/50/822750050.db2.gz MEHSPXBLPVNDNR-DYESRHJHSA-N 1 0 379.504 4.266 20 0 GIADRO CN(C)c1cc[nH+]cc1CNc1cccc(CS(=O)(=O)C2CCCCC2)c1 ZINC000185219839 822750761 /nfs/dbraw/zinc/75/07/61/822750761.db2.gz GRAHJZLZFZLDTK-UHFFFAOYSA-N 1 0 387.549 4.007 20 0 GIADRO CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000051237677 822751624 /nfs/dbraw/zinc/75/16/24/822751624.db2.gz CUKACADQMOWWDK-UNMCSNQZSA-N 1 0 381.520 4.380 20 0 GIADRO CSCCCN(C)C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000455936833 822753145 /nfs/dbraw/zinc/75/31/45/822753145.db2.gz CXVXWYQHQGBWLQ-UHFFFAOYSA-N 1 0 385.961 4.030 20 0 GIADRO CC(C)[C@@H]1CCN(C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)C1 ZINC000455941715 822754233 /nfs/dbraw/zinc/75/42/33/822754233.db2.gz JRVMTLJSBGPYIL-OAHLLOKOSA-N 1 0 379.932 4.323 20 0 GIADRO CN(Cc1ccccc1)C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000455946373 822755710 /nfs/dbraw/zinc/75/57/10/822755710.db2.gz QCMRGTYXAJUDJM-UHFFFAOYSA-N 1 0 387.911 4.477 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCCc3nc(C(C)(C)C)cs3)ccc21 ZINC000455946690 822755771 /nfs/dbraw/zinc/75/57/71/822755771.db2.gz XAYYLZGJSUCXDJ-QGZVFWFLSA-N 1 0 386.565 4.354 20 0 GIADRO C[C@H]1C[C@H](C)CN(C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)C1 ZINC000455947331 822756091 /nfs/dbraw/zinc/75/60/91/822756091.db2.gz RKEZCLNUSQPWBZ-GJZGRUSLSA-N 1 0 379.932 4.323 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)N2C[C@@H]3CCC[C@@H]3C2)CC1 ZINC000455948639 822756179 /nfs/dbraw/zinc/75/61/79/822756179.db2.gz UKBYVDWECYWLAV-GASCZTMLSA-N 1 0 377.916 4.077 20 0 GIADRO CCC1CCN(C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)CC1 ZINC000455948658 822756355 /nfs/dbraw/zinc/75/63/55/822756355.db2.gz UNKOBHDIMUSOCT-UHFFFAOYSA-N 1 0 379.932 4.467 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)N2CCC3(CCC3)C2)CC1 ZINC000455951015 822756868 /nfs/dbraw/zinc/75/68/68/822756868.db2.gz ZAIQXVNYSXZHDH-UHFFFAOYSA-N 1 0 377.916 4.221 20 0 GIADRO COc1ccc2cc([C@@H](C)[NH2+]Cc3cnc(N4CCOCC4)c(F)c3)ccc2c1 ZINC000185278887 822758512 /nfs/dbraw/zinc/75/85/12/822758512.db2.gz UPANOKRIPSCUHG-MRXNPFEDSA-N 1 0 395.478 4.070 20 0 GIADRO CC(C)CCc1ccc(NC(=O)N(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)nc1 ZINC000455969299 822759002 /nfs/dbraw/zinc/75/90/02/822759002.db2.gz WUTGBMFWMFICAO-UNMCSNQZSA-N 1 0 395.551 4.222 20 0 GIADRO O=[N+]([O-])c1ccc(C[NH2+]CCc2nc(-c3cccc(Cl)c3)no2)cc1Cl ZINC000185293107 822760736 /nfs/dbraw/zinc/76/07/36/822760736.db2.gz BGAHDDBFEUINJE-UHFFFAOYSA-N 1 0 393.230 4.284 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc(N3CCSCC3)cc2C)o1 ZINC000051464453 822761219 /nfs/dbraw/zinc/76/12/19/822761219.db2.gz YPAGUDSDYJURBK-UHFFFAOYSA-N 1 0 387.549 4.235 20 0 GIADRO CC[C@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)c1ccc(Cl)s1 ZINC000185297356 822761500 /nfs/dbraw/zinc/76/15/00/822761500.db2.gz UGPLEYKEWPKWBZ-HNNXBMFYSA-N 1 0 384.954 4.182 20 0 GIADRO COc1ccccc1-c1ccc(C[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)cc1 ZINC000174277908 822761771 /nfs/dbraw/zinc/76/17/71/822761771.db2.gz IMNGHKJQDFTRAD-QGZVFWFLSA-N 1 0 378.438 4.336 20 0 GIADRO Cc1ccc2[nH]cc(CCC(=O)NCC3CC[NH+](Cc4ccccc4)CC3)c2c1 ZINC000174281135 822762362 /nfs/dbraw/zinc/76/23/62/822762362.db2.gz KCSXGFBXFJCJJP-UHFFFAOYSA-N 1 0 389.543 4.437 20 0 GIADRO Cc1cccn2c(CNc3ccc(NC(=O)C[NH+]4CCCCCC4)cc3)cnc12 ZINC000174291963 822764357 /nfs/dbraw/zinc/76/43/57/822764357.db2.gz BCZKMEZSPOIWTM-UHFFFAOYSA-N 1 0 391.519 4.069 20 0 GIADRO Cn1ccnc1COc1ccc(C[N@@H+]2CC[C@H](c3c(F)cccc3F)C2)cc1 ZINC000185314405 822764351 /nfs/dbraw/zinc/76/43/51/822764351.db2.gz AANCSONZCFRRHO-KRWDZBQOSA-N 1 0 383.442 4.267 20 0 GIADRO O=C(CC[NH+]1CCC([C@H](O)c2ccccc2)CC1)N[C@@H]1CCCc2ccccc21 ZINC000051531650 822764665 /nfs/dbraw/zinc/76/46/65/822764665.db2.gz REIWJOKFTTUPMO-ILBGXUMGSA-N 1 0 392.543 4.016 20 0 GIADRO COc1ccc(C[C@H](C)C[NH2+][C@H](c2nc(-c3cccnc3)no2)C(C)C)cc1F ZINC000185317317 822764906 /nfs/dbraw/zinc/76/49/06/822764906.db2.gz NRRYFTSWDVQVPP-YWZLYKJASA-N 1 0 398.482 4.445 20 0 GIADRO C[C@H]([NH2+]Cc1ccc2c(c1)OCCCO2)c1cc(Br)ccc1O ZINC000185322962 822765891 /nfs/dbraw/zinc/76/58/91/822765891.db2.gz IIFHQVZIGWIHNJ-LBPRGKRZSA-N 1 0 378.266 4.167 20 0 GIADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N(C)C(C2CC2)C2CC2)CC1 ZINC000051585519 822766968 /nfs/dbraw/zinc/76/69/68/822766968.db2.gz DEOQJFFKXPGTTC-UHFFFAOYSA-N 1 0 390.959 4.134 20 0 GIADRO CC[NH+](CC)[C@@H]1CCN(Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000174300857 822767076 /nfs/dbraw/zinc/76/70/76/822767076.db2.gz VOFFTWONFNNSPN-CQSZACIVSA-N 1 0 378.314 4.020 20 0 GIADRO Cc1nc(NC(=O)N2CCC[N@@H+](C)CC2)sc1Cc1cccc(Cl)c1F ZINC000456021158 822767505 /nfs/dbraw/zinc/76/75/05/822767505.db2.gz KRPWINVGSRTELN-UHFFFAOYSA-N 1 0 396.919 4.004 20 0 GIADRO CC(=O)N1CC[C@@H]([NH2+]Cc2cnc(C(C)(C)C)s2)c2ccc(F)cc2C1 ZINC000185354581 822770198 /nfs/dbraw/zinc/77/01/98/822770198.db2.gz GFFRSLPALYFCHC-GOSISDBHSA-N 1 0 375.513 4.163 20 0 GIADRO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N(C)[C@@H](C)c2ccccc2OC)cc1 ZINC000051649444 822771575 /nfs/dbraw/zinc/77/15/75/822771575.db2.gz JOJUWXBJXIWJNN-LAUBAEHRSA-N 1 0 382.504 4.060 20 0 GIADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2ccc([C@H](C)C(F)(F)F)cc2)cc1 ZINC000456061185 822772725 /nfs/dbraw/zinc/77/27/25/822772725.db2.gz RBDYUVXCAJPLCQ-LIRRHRJNSA-N 1 0 394.437 4.394 20 0 GIADRO CN(C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)C(C1CC1)C1CC1 ZINC000051679363 822773494 /nfs/dbraw/zinc/77/34/94/822773494.db2.gz VXDPESCZILEWPS-UHFFFAOYSA-N 1 0 375.944 4.134 20 0 GIADRO Cc1ccccc1-c1ccc(Cl)c(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000456078057 822775078 /nfs/dbraw/zinc/77/50/78/822775078.db2.gz YYEZNDVLQAANHQ-UHFFFAOYSA-N 1 0 399.966 4.071 20 0 GIADRO Fc1ccc(-c2nc(CC[NH2+]Cc3ccc(OCC(F)F)cc3)co2)cc1 ZINC000174356083 822777109 /nfs/dbraw/zinc/77/71/09/822777109.db2.gz RJXUOEBOVOQNGN-UHFFFAOYSA-N 1 0 376.378 4.457 20 0 GIADRO COCc1cccc(CNC(=O)C[NH2+][C@@H](Cc2ccccc2)c2ccccc2)c1 ZINC000051797578 822778854 /nfs/dbraw/zinc/77/88/54/822778854.db2.gz FEZMVPYJQIKAOU-DEOSSOPVSA-N 1 0 388.511 4.023 20 0 GIADRO CCCC[C@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)cc1)C(=O)Nc1cc(C)on1 ZINC000174369311 822779316 /nfs/dbraw/zinc/77/93/16/822779316.db2.gz GZBXPUUPNYXDBU-LPHOPBHVSA-N 1 0 381.480 4.017 20 0 GIADRO CN(C(=O)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)C(C1CC1)C1CC1 ZINC000051809844 822779435 /nfs/dbraw/zinc/77/94/35/822779435.db2.gz MXUWHEHKBVQPEZ-UHFFFAOYSA-N 1 0 397.563 4.037 20 0 GIADRO Cc1ccc(NC(=O)c2cnc(Cc3ccccc3F)s2)c(C[NH+](C)C)c1 ZINC000185412344 822780463 /nfs/dbraw/zinc/78/04/63/822780463.db2.gz DHBBTUJAWXRHMF-UHFFFAOYSA-N 1 0 383.492 4.495 20 0 GIADRO COc1ccc(C[NH2+]C[C@@H](O)c2ccc(-c3ccccc3)cc2)c(OC)c1OC ZINC000185419825 822781560 /nfs/dbraw/zinc/78/15/60/822781560.db2.gz WOWQJSWNVYAQRY-OAQYLSRUSA-N 1 0 393.483 4.203 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)N[C@H](C)c2nc(C3CCCCC3)no2)[NH+](C)C)cc1 ZINC000174384544 822781639 /nfs/dbraw/zinc/78/16/39/822781639.db2.gz UTTVPJRFIZZSCW-VQIMIIECSA-N 1 0 399.539 4.089 20 0 GIADRO CCc1nc(C)c([C@H](C)N(C)C(=O)NC[C@@H](c2ccco2)[NH+](CC)CC)s1 ZINC000174390558 822782537 /nfs/dbraw/zinc/78/25/37/822782537.db2.gz XXJSXSISIKDWOA-HOTGVXAUSA-N 1 0 392.569 4.392 20 0 GIADRO Cn1cccc1[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000174395562 822783746 /nfs/dbraw/zinc/78/37/46/822783746.db2.gz IGTCFVYCBGZZOV-SIKLNZKXSA-N 1 0 383.511 4.130 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2c(OC(C)C)ccc3ccccc32)C1 ZINC000185438575 822783907 /nfs/dbraw/zinc/78/39/07/822783907.db2.gz KFVAOCINSVHNFI-SFHVURJKSA-N 1 0 383.536 4.110 20 0 GIADRO CC(C)Oc1ccc2ccccc2c1CNC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000185438846 822783934 /nfs/dbraw/zinc/78/39/34/822783934.db2.gz CXVSQIIOUIFREH-UHFFFAOYSA-N 1 0 395.547 4.397 20 0 GIADRO Cc1sc(NC(=O)CN(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C)c1C ZINC000174401823 822785011 /nfs/dbraw/zinc/78/50/11/822785011.db2.gz UMFNAYCBQPKSJH-FQEVSTJZSA-N 1 0 385.577 4.066 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(NC(N)=O)cc1)c1ccc(Br)cc1O ZINC000185446147 822785028 /nfs/dbraw/zinc/78/50/28/822785028.db2.gz FEAODMZBUAOPME-WDEREUQCSA-N 1 0 378.270 4.057 20 0 GIADRO C[NH+](C)Cc1ccccc1C(=O)N1CC[C@H](c2cccc(Br)c2)C1 ZINC000456158618 822785140 /nfs/dbraw/zinc/78/51/40/822785140.db2.gz UCLWVCVZYCNIJU-INIZCTEOSA-N 1 0 387.321 4.140 20 0 GIADRO CCC[C@@H]([NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1)c1cccnc1 ZINC000185447159 822785264 /nfs/dbraw/zinc/78/52/64/822785264.db2.gz NAAJDTGDVGTLJH-JOCHJYFZSA-N 1 0 389.503 4.429 20 0 GIADRO Cc1nc2cc(C(=O)NC(C)(C)CCC[NH+](C)C)ccc2n1Cc1ccsc1 ZINC000456168175 822785901 /nfs/dbraw/zinc/78/59/01/822785901.db2.gz LANSVZGNSNVNLX-UHFFFAOYSA-N 1 0 398.576 4.305 20 0 GIADRO COc1cc(OC)cc([C@@H](O)C[NH2+]Cc2ccc(-c3ccccc3OC)cc2)c1 ZINC000174407697 822786290 /nfs/dbraw/zinc/78/62/90/822786290.db2.gz GLEAFBZHUJBNGD-QHCPKHFHSA-N 1 0 393.483 4.203 20 0 GIADRO CC1(C(=O)N[C@@H]2CCOc3ccc(F)cc32)CC[NH+](Cc2ccccc2)CC1 ZINC000185452488 822786269 /nfs/dbraw/zinc/78/62/69/822786269.db2.gz KOCRBFUUJXWMHP-HXUWFJFHSA-N 1 0 382.479 4.068 20 0 GIADRO C[N@H+](CC(=O)Nc1ccccc1N1CCCC1=O)Cc1cccc2ccccc21 ZINC000051992709 822786259 /nfs/dbraw/zinc/78/62/59/822786259.db2.gz JPZJDFHVOSTOQN-UHFFFAOYSA-N 1 0 387.483 4.037 20 0 GIADRO COc1ccc(N(CC2CC2)C(=O)c2ccc(C[NH+]3CCSCC3)cc2)cc1 ZINC000456181140 822786946 /nfs/dbraw/zinc/78/69/46/822786946.db2.gz QPSIUDUMGIPQDA-UHFFFAOYSA-N 1 0 396.556 4.301 20 0 GIADRO CC[NH+](CC)CCSCC(=O)Nc1cccc(C(=O)Nc2ccccc2)c1C ZINC000174415038 822787121 /nfs/dbraw/zinc/78/71/21/822787121.db2.gz YSFDYTRFYXQBDX-UHFFFAOYSA-N 1 0 399.560 4.261 20 0 GIADRO O=C(CC[NH2+]Cc1cc(Cl)ccc1OC[C@@H]1CCCO1)Nc1ccccc1 ZINC000174424619 822788278 /nfs/dbraw/zinc/78/82/78/822788278.db2.gz VWQOFCXWEMZGPB-IBGZPJMESA-N 1 0 388.895 4.016 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)c2ccccc2Oc2cccnc2)[NH+](C)C)cc1 ZINC000052027434 822788303 /nfs/dbraw/zinc/78/83/03/822788303.db2.gz VSDGZDBNILCCBW-OAQYLSRUSA-N 1 0 375.472 4.215 20 0 GIADRO Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C[NH2+]C[C@@H]1CCC[C@H](O)C1 ZINC000174426514 822788409 /nfs/dbraw/zinc/78/84/09/822788409.db2.gz NIPMTEYCYKLWMJ-WBVHZDCISA-N 1 0 382.335 4.187 20 0 GIADRO OCC[C@@H](C[NH2+]Cc1cc(Cl)ccc1OC[C@H]1CCCO1)c1ccccc1 ZINC000174427034 822788498 /nfs/dbraw/zinc/78/84/98/822788498.db2.gz OQNQMXRRNQJBKO-GHTZIAJQSA-N 1 0 389.923 4.154 20 0 GIADRO O=C(Nc1ccc(F)c(Br)c1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000174427078 822788507 /nfs/dbraw/zinc/78/85/07/822788507.db2.gz WSTVIVRUIMNBBE-UHFFFAOYSA-N 1 0 384.293 4.070 20 0 GIADRO C[C@H]1C[C@@H](C(=O)Nc2scnc2-c2ccc(Br)cc2)CC[N@@H+]1C ZINC000456233487 822788762 /nfs/dbraw/zinc/78/87/62/822788762.db2.gz ANBKDQKDDUDGNS-AAEUAGOBSA-N 1 0 394.338 4.241 20 0 GIADRO O=C(Nc1ccccc1)c1cccc(C[NH+]2CCC(O)(c3ccccc3)CC2)c1 ZINC000185484406 822789581 /nfs/dbraw/zinc/78/95/81/822789581.db2.gz NLJCYFLDGYVTDF-UHFFFAOYSA-N 1 0 386.495 4.423 20 0 GIADRO Cc1cccc(NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)c1Br ZINC000185486195 822789668 /nfs/dbraw/zinc/78/96/68/822789668.db2.gz SFOKKEWWVFSNSB-UHFFFAOYSA-N 1 0 380.330 4.240 20 0 GIADRO COc1ccc(Br)c(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)c1 ZINC000456254031 822790346 /nfs/dbraw/zinc/79/03/46/822790346.db2.gz AQCXWFBCTPGYSL-GOSISDBHSA-N 1 0 389.293 4.259 20 0 GIADRO COc1ccc2cc(C(=O)Nc3ccc4c(c3)CC[C@H]4[NH+](C)C)c(C)nc2c1 ZINC000456253440 822790384 /nfs/dbraw/zinc/79/03/84/822790384.db2.gz AYMIKSSZQNMLMT-JOCHJYFZSA-N 1 0 375.472 4.353 20 0 GIADRO O=C(c1ccc(F)cc1)N1CCC[N@H+](CC2CCC(C(F)(F)F)CC2)CC1 ZINC000185493790 822790429 /nfs/dbraw/zinc/79/04/29/822790429.db2.gz NUOZKHUSBHHOQA-UHFFFAOYSA-N 1 0 386.433 4.342 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)c3cccc(OCC(F)(F)F)c3)ccc21 ZINC000456256581 822790695 /nfs/dbraw/zinc/79/06/95/822790695.db2.gz CQFMGJLVYPFKHN-SFHVURJKSA-N 1 0 378.394 4.429 20 0 GIADRO COc1ccc(NC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC000174452671 822791668 /nfs/dbraw/zinc/79/16/68/822791668.db2.gz ZKOLENYKLJYGAU-KRWDZBQOSA-N 1 0 387.911 4.334 20 0 GIADRO C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)cc1 ZINC000456267359 822791971 /nfs/dbraw/zinc/79/19/71/822791971.db2.gz IVIKHIUUYATREG-OREJSRFESA-N 1 0 377.488 4.082 20 0 GIADRO Cc1cc(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)c2cnn(C(C)C)c2n1 ZINC000456268224 822791974 /nfs/dbraw/zinc/79/19/74/822791974.db2.gz IYBPVDLHWIESBP-HXUWFJFHSA-N 1 0 377.492 4.122 20 0 GIADRO CCc1c(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)cnn1-c1ccc(F)cc1 ZINC000456268306 822792066 /nfs/dbraw/zinc/79/20/66/822792066.db2.gz JJRBAGSDXCJCRJ-JOCHJYFZSA-N 1 0 392.478 4.375 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)c3cc(Br)ccc3F)ccc21 ZINC000456272869 822792391 /nfs/dbraw/zinc/79/23/91/822792391.db2.gz LQMLADULOKJVSM-KRWDZBQOSA-N 1 0 377.257 4.389 20 0 GIADRO Cc1oc(-c2cccs2)nc1CC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000456278218 822793224 /nfs/dbraw/zinc/79/32/24/822793224.db2.gz OZTOBBBCMPHHQK-GOSISDBHSA-N 1 0 381.501 4.442 20 0 GIADRO CC(C)C(=O)N(C)Cc1ccc(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)cc1 ZINC000456280713 822793498 /nfs/dbraw/zinc/79/34/98/822793498.db2.gz QGZXDNIIIAYOOW-QFIPXVFZSA-N 1 0 393.531 4.102 20 0 GIADRO COCC[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)c1cccc(C(F)(F)F)c1 ZINC000456280262 822793524 /nfs/dbraw/zinc/79/35/24/822793524.db2.gz FBGLCHMIQFGVRS-LJQANCHMSA-N 1 0 394.437 4.275 20 0 GIADRO CCc1c(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)cnn1Cc1ccccc1 ZINC000456281942 822793786 /nfs/dbraw/zinc/79/37/86/822793786.db2.gz RMUGGXXNDXTSNO-HSZRJFAPSA-N 1 0 388.515 4.295 20 0 GIADRO Cc1ccccc1C1(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CCOCC1 ZINC000456283490 822793976 /nfs/dbraw/zinc/79/39/76/822793976.db2.gz SSYAHCGJXOKVHU-JOCHJYFZSA-N 1 0 378.516 4.231 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)C1 ZINC000174466045 822794142 /nfs/dbraw/zinc/79/41/42/822794142.db2.gz YYOQSGVPGSYUAS-GOSISDBHSA-N 1 0 389.499 4.422 20 0 GIADRO CO[C@@]1(C)C[C@@H](N(C)Cc2nnc(-c3ccccc3Br)o2)C1(C)C ZINC000174482260 822795460 /nfs/dbraw/zinc/79/54/60/822795460.db2.gz VWRUGQPXFHGQIH-KDOFPFPSSA-N 1 0 394.313 4.135 20 0 GIADRO C[C@H](CCc1ccccc1)NC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174483562 822795564 /nfs/dbraw/zinc/79/55/64/822795564.db2.gz HYVZOIAXAZUWNN-NFBKMPQASA-N 1 0 379.548 4.171 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)Cc3sccc3Br)ccc21 ZINC000456299733 822795729 /nfs/dbraw/zinc/79/57/29/822795729.db2.gz FEYXKDIBUCIVOF-OAHLLOKOSA-N 1 0 379.323 4.241 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(Cl)c3cccnc23)CC1)c1ccccc1 ZINC000052359361 822797159 /nfs/dbraw/zinc/79/71/59/822797159.db2.gz KEXZOJCXGOQACF-UHFFFAOYSA-N 1 0 379.891 4.283 20 0 GIADRO C[C@@H](CC(=O)Nc1ccccc1NC1CC[NH+](C)CC1)C(=O)c1cccc(F)c1 ZINC000174504132 822797906 /nfs/dbraw/zinc/79/79/06/822797906.db2.gz GKHHGHNGLVOTBW-INIZCTEOSA-N 1 0 397.494 4.179 20 0 GIADRO CC(C)Cc1nnc(NC(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)s1 ZINC000174505305 822798197 /nfs/dbraw/zinc/79/81/97/822798197.db2.gz RCBIQNHRFNDGCA-BBRMVZONSA-N 1 0 393.582 4.003 20 0 GIADRO CCCOc1ccc(C(F)(F)F)cc1NC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000174509335 822798717 /nfs/dbraw/zinc/79/87/17/822798717.db2.gz WDYRFZIUSCGUMD-HIFRSBDPSA-N 1 0 387.446 4.441 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+]Cc2csc(COc3ccc(OC)cc3)n2)C12CCC2 ZINC000174509700 822798898 /nfs/dbraw/zinc/79/88/98/822798898.db2.gz XUKZFXZTSWSZIZ-RBUKOAKNSA-N 1 0 388.533 4.168 20 0 GIADRO Cn1cc(N2CCC[C@H]([NH2+]Cc3ccc(-c4nc5ccccc5s4)o3)C2)cn1 ZINC000174518044 822799866 /nfs/dbraw/zinc/79/98/66/822799866.db2.gz KDKHVFUXGPENLX-HNNXBMFYSA-N 1 0 393.516 4.048 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Nc1cccc(Oc2ccccn2)c1)c1ccc(F)cc1 ZINC000174517845 822799958 /nfs/dbraw/zinc/79/99/58/822799958.db2.gz APMMJVGDSPQLQR-FQEVSTJZSA-N 1 0 394.450 4.437 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CC=CC[C@@H]2c2nc3ccccc3s2)C1 ZINC000174519097 822800019 /nfs/dbraw/zinc/80/00/19/822800019.db2.gz IYAIPTVTGKQNPT-FGTMMUONSA-N 1 0 383.561 4.146 20 0 GIADRO C[C@@H]([NH2+]Cc1nc(-c2cccc(C(F)(F)F)c2)no1)[C@@H]1COc2ccccc21 ZINC000185597979 822800577 /nfs/dbraw/zinc/80/05/77/822800577.db2.gz GWHSOYDFKBCUPM-WBMJQRKESA-N 1 0 389.377 4.410 20 0 GIADRO CCCC[NH+]1CCC(NC(=O)NC[C@H]2CCCO[C@H]2c2ccc(C)cc2)CC1 ZINC000174526662 822801202 /nfs/dbraw/zinc/80/12/02/822801202.db2.gz UVUAOXQFBPDJCJ-IRLDBZIGSA-N 1 0 387.568 4.026 20 0 GIADRO CCC(CC)n1ncc(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)c1C ZINC000456351845 822801221 /nfs/dbraw/zinc/80/12/21/822801221.db2.gz XCSZHAROFBWVLP-SFHVURJKSA-N 1 0 382.552 4.147 20 0 GIADRO CCCNC(=O)C1CC[NH+]([C@H](C)c2cccc(NC(=O)c3ccccc3)c2)CC1 ZINC000052492699 822801404 /nfs/dbraw/zinc/80/14/04/822801404.db2.gz VPZHQEFZGJGJPL-GOSISDBHSA-N 1 0 393.531 4.238 20 0 GIADRO CCC(CC)n1nc(C)cc1C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000456352585 822801572 /nfs/dbraw/zinc/80/15/72/822801572.db2.gz YGPNFXZNODXUDE-GOSISDBHSA-N 1 0 382.552 4.147 20 0 GIADRO Cc1c(Br)scc1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000185607282 822801581 /nfs/dbraw/zinc/80/15/81/822801581.db2.gz QSGCVPRGAPQSNV-UHFFFAOYSA-N 1 0 385.371 4.346 20 0 GIADRO C[C@@](O)(C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccs1)c1ccco1 ZINC000174528415 822801562 /nfs/dbraw/zinc/80/15/62/822801562.db2.gz ZXEAIZWRVGSDEX-OAQYLSRUSA-N 1 0 379.485 4.191 20 0 GIADRO CC(=O)Nc1ccccc1C[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000174533647 822802200 /nfs/dbraw/zinc/80/22/00/822802200.db2.gz MFPPAXJSJHVFQZ-UHFFFAOYSA-N 1 0 388.393 4.139 20 0 GIADRO CCOCc1ccc(CNC(=O)C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)cc1 ZINC000052515327 822802286 /nfs/dbraw/zinc/80/22/86/822802286.db2.gz MARDQKKYSXFENH-JOCHJYFZSA-N 1 0 386.923 4.234 20 0 GIADRO Cc1nn(C)c(C)c1C[C@H](C)[NH2+]Cc1cc(C)c(OCc2ccccn2)c(C)c1 ZINC000174544331 822803200 /nfs/dbraw/zinc/80/32/00/822803200.db2.gz LOORNUOHCSVLPS-SFHVURJKSA-N 1 0 392.547 4.349 20 0 GIADRO COc1cc(CNC(=O)C2CC[NH+](C(C)C)CC2)ccc1OCc1ccccc1 ZINC000174544006 822803275 /nfs/dbraw/zinc/80/32/75/822803275.db2.gz JQGREYOPDHIUCA-UHFFFAOYSA-N 1 0 396.531 4.011 20 0 GIADRO O=C(c1ccccc1COc1ccccc1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174548950 822803813 /nfs/dbraw/zinc/80/38/13/822803813.db2.gz BGIOAYKRVPNGKK-HXUWFJFHSA-N 1 0 378.516 4.214 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]CC(=O)Nc1ccc(C(C)C)cc1 ZINC000185630089 822804228 /nfs/dbraw/zinc/80/42/28/822804228.db2.gz BCOHHTJAUKFVGQ-ZDUSSCGKSA-N 1 0 396.457 4.475 20 0 GIADRO Cc1ccccc1C[C@@H](C)NC(=O)C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000052612181 822805222 /nfs/dbraw/zinc/80/52/22/822805222.db2.gz MHSRMBIDSSREHW-QUCCMNQESA-N 1 0 391.515 4.063 20 0 GIADRO COc1ccc(Nc2ccccc2C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000174562163 822805334 /nfs/dbraw/zinc/80/53/34/822805334.db2.gz VAPSQQFONKDYJL-IBGZPJMESA-N 1 0 393.531 4.387 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]CC(=O)Nc1ccc(Cl)cc1 ZINC000185638582 822805396 /nfs/dbraw/zinc/80/53/96/822805396.db2.gz AOWPEZWZTLJHRA-JTQLQIEISA-N 1 0 388.821 4.005 20 0 GIADRO Cc1nc(-c2cccs2)sc1C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000174564463 822805616 /nfs/dbraw/zinc/80/56/16/822805616.db2.gz CAHBPBOHADHDTC-HNNXBMFYSA-N 1 0 375.563 4.128 20 0 GIADRO Cc1ccc([C@H](CNC(=O)N(Cc2ccc(O)cc2)CC2CC2)[NH+]2CCCC2)o1 ZINC000174568289 822806056 /nfs/dbraw/zinc/80/60/56/822806056.db2.gz YJDHQLYPWPFJRD-NRFANRHFSA-N 1 0 397.519 4.052 20 0 GIADRO COc1ccc([C@@H](CNC(=O)N2CCC[C@@H]2c2cccs2)[NH+]2CCCC2)cc1 ZINC000052659437 822806411 /nfs/dbraw/zinc/80/64/11/822806411.db2.gz GGKUHJVJOLSOQV-WOJBJXKFSA-N 1 0 399.560 4.440 20 0 GIADRO COc1ccc([C@H](CNC(=O)N2CCC[C@@H]2c2cccs2)[NH+]2CCCC2)cc1 ZINC000052659438 822806433 /nfs/dbraw/zinc/80/64/33/822806433.db2.gz GGKUHJVJOLSOQV-UXHICEINSA-N 1 0 399.560 4.440 20 0 GIADRO COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccccc1OC(F)F ZINC000052661740 822806826 /nfs/dbraw/zinc/80/68/26/822806826.db2.gz GFYMUVSFELWBIF-KGLIPLIRSA-N 1 0 378.419 4.283 20 0 GIADRO C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3c(Cl)ccc4cccnc43)CC2)C1 ZINC000052703186 822807644 /nfs/dbraw/zinc/80/76/44/822807644.db2.gz ZONBXPRVWGDKBK-MRXNPFEDSA-N 1 0 385.939 4.359 20 0 GIADRO COC(=O)COc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2C(C)C)cc1 ZINC000185678403 822809218 /nfs/dbraw/zinc/80/92/18/822809218.db2.gz OQXWZVQCMSPLNN-IAGOWNOFSA-N 1 0 398.503 4.040 20 0 GIADRO CC(=O)N(c1nc(C[NH2+]CCc2c[nH]c3ccc(Cl)cc23)cs1)C1CC1 ZINC000174592693 822809297 /nfs/dbraw/zinc/80/92/97/822809297.db2.gz MTEUTIDLEVWNRT-UHFFFAOYSA-N 1 0 388.924 4.125 20 0 GIADRO CCOc1cc(C[NH2+]C2CCC(O)(c3cccnc3)CC2)ccc1OCC(C)C ZINC000185689277 822810379 /nfs/dbraw/zinc/81/03/79/822810379.db2.gz SQJIJOKPVMCTRG-UHFFFAOYSA-N 1 0 398.547 4.435 20 0 GIADRO C[N@H+](CCCc1ccccc1)CC(=O)Nc1c(F)cc(F)cc1Br ZINC000052802750 822810826 /nfs/dbraw/zinc/81/08/26/822810826.db2.gz JVLQIDQKNSLXJS-UHFFFAOYSA-N 1 0 397.263 4.230 20 0 GIADRO C[C@H](N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(=O)Nc1ccc2ccccc2c1 ZINC000185697892 822811129 /nfs/dbraw/zinc/81/11/29/822811129.db2.gz HTPHQLYVOGISER-BBTUJRGHSA-N 1 0 379.548 4.409 20 0 GIADRO COc1ccc(CNC(=O)[C@H](C)[N@H+](C)Cc2csc3ccccc23)cc1OC ZINC000052805951 822811483 /nfs/dbraw/zinc/81/14/83/822811483.db2.gz UYIDOANZPYFIFM-HNNXBMFYSA-N 1 0 398.528 4.055 20 0 GIADRO COc1ccc(C[NH2+]C2CCC(O)(c3cccnc3)CC2)cc1OCCC(C)C ZINC000185703227 822811813 /nfs/dbraw/zinc/81/18/13/822811813.db2.gz XUHXOWPLEHXWOW-UHFFFAOYSA-N 1 0 398.547 4.435 20 0 GIADRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc(=O)oc2cc(NC(C)=O)ccc12 ZINC000052825633 822812273 /nfs/dbraw/zinc/81/22/73/822812273.db2.gz PASQQKXVKAHQLQ-UHFFFAOYSA-N 1 0 389.455 4.035 20 0 GIADRO C[C@H](NCc1cn2cc(Cl)cc(Cl)c2n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185709142 822812633 /nfs/dbraw/zinc/81/26/33/822812633.db2.gz MVRFSJAEXJSTSS-KBPBESRZSA-N 1 0 381.351 4.384 20 0 GIADRO COc1ccc(-c2noc([C@@H](C)N[C@@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)n2)cc1 ZINC000185712088 822813139 /nfs/dbraw/zinc/81/31/39/822813139.db2.gz INCGIPKKGXATEE-LZLYRXPVSA-N 1 0 384.524 4.049 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)N[C@@H](c2ncc(C)s2)C2CC2)cc1 ZINC000174634522 822815386 /nfs/dbraw/zinc/81/53/86/822815386.db2.gz ZVRUBXVTMZKLOM-LJQANCHMSA-N 1 0 386.565 4.244 20 0 GIADRO COc1cc(C[NH2+]C[C@@H](O)c2ccccc2)cc(OC)c1OCc1ccccc1 ZINC000052916049 822815718 /nfs/dbraw/zinc/81/57/18/822815718.db2.gz YZKOMGNLYUUKMC-OAQYLSRUSA-N 1 0 393.483 4.106 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)Cc1csc(-c2ccccc2Cl)n1 ZINC000052954871 822816680 /nfs/dbraw/zinc/81/66/80/822816680.db2.gz QTAMKIWAEMGEIB-HNNXBMFYSA-N 1 0 391.968 4.387 20 0 GIADRO N#CCSc1ccccc1C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000052966024 822817193 /nfs/dbraw/zinc/81/71/93/822817193.db2.gz VJTCKBJXVANNAZ-UHFFFAOYSA-N 1 0 399.947 4.350 20 0 GIADRO Cc1cc(Cl)ccc1NC(=O)[C@H](C)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185753563 822817858 /nfs/dbraw/zinc/81/78/58/822817858.db2.gz KWWPOQUDYRLKCO-YESZJQIVSA-N 1 0 377.960 4.218 20 0 GIADRO O=C(CCCc1nc2ccccc2[nH]1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000052994124 822818189 /nfs/dbraw/zinc/81/81/89/822818189.db2.gz WUTQDUQTSAKACO-UHFFFAOYSA-N 1 0 382.552 4.000 20 0 GIADRO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2cccc3ccccc32)c(OC)c1 ZINC000053017351 822818716 /nfs/dbraw/zinc/81/87/16/822818716.db2.gz BCCKNQCRAUQRGD-MRXNPFEDSA-N 1 0 378.472 4.316 20 0 GIADRO CC(C)[NH+]1CCC(C(=O)Nc2ccc(-c3nc4cc(F)ccc4[nH]3)cc2)CC1 ZINC000174667362 822820954 /nfs/dbraw/zinc/82/09/54/822820954.db2.gz VSGALSGKAVWTND-UHFFFAOYSA-N 1 0 380.467 4.428 20 0 GIADRO CC(C)c1noc(-c2ccnc(NCc3ccccc3C[NH+]3CCCC3)c2)n1 ZINC000174674433 822821821 /nfs/dbraw/zinc/82/18/21/822821821.db2.gz LYDQECYDPSCXKZ-UHFFFAOYSA-N 1 0 377.492 4.463 20 0 GIADRO CC[NH+](CC)[C@@H](CNc1ncccc1C(=O)N1CCCCC1)c1ccsc1 ZINC000174681010 822822682 /nfs/dbraw/zinc/82/26/82/822822682.db2.gz OVVDZFYVJWTKIN-IBGZPJMESA-N 1 0 386.565 4.264 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000456687868 822822820 /nfs/dbraw/zinc/82/28/20/822822820.db2.gz YCLMPDOFYJLKPD-UHFFFAOYSA-N 1 0 380.454 4.260 20 0 GIADRO C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000456694972 822823659 /nfs/dbraw/zinc/82/36/59/822823659.db2.gz ILIGTPZYJDSRLI-GOSISDBHSA-N 1 0 378.516 4.254 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)N[C@@H](c1ncc(C)s1)C1CC1)c1ccccc1 ZINC000174691805 822824063 /nfs/dbraw/zinc/82/40/63/822824063.db2.gz FMDJQUCGCNQMHG-RTBURBONSA-N 1 0 386.565 4.285 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1ccc2ccccc2c1 ZINC000185820033 822824117 /nfs/dbraw/zinc/82/41/17/822824117.db2.gz YLTSOWVNTSYESA-KRWDZBQOSA-N 1 0 380.513 4.231 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1ccc2ccccc2c1 ZINC000185820055 822824125 /nfs/dbraw/zinc/82/41/25/822824125.db2.gz YLTSOWVNTSYESA-QGZVFWFLSA-N 1 0 380.513 4.231 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)c1cc2ccc(Br)cc2s1 ZINC000456698608 822824212 /nfs/dbraw/zinc/82/42/12/822824212.db2.gz MNTVSPHVDKLUGQ-UHFFFAOYSA-N 1 0 393.350 4.411 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNc2ccc3nnc(-c4ccsc4)n3n2)c1 ZINC000185821782 822824437 /nfs/dbraw/zinc/82/44/37/822824437.db2.gz JKNZYOITCUOBHP-UHFFFAOYSA-N 1 0 392.532 4.307 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000053175478 822824529 /nfs/dbraw/zinc/82/45/29/822824529.db2.gz KAAVHROSYPCLFQ-OXJNMPFZSA-N 1 0 381.520 4.035 20 0 GIADRO Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000456702965 822824687 /nfs/dbraw/zinc/82/46/87/822824687.db2.gz QOCCHWQDLIBNQF-UHFFFAOYSA-N 1 0 397.466 4.370 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000456703860 822824775 /nfs/dbraw/zinc/82/47/75/822824775.db2.gz RPMBLFSXBVGTIY-UHFFFAOYSA-N 1 0 394.359 4.471 20 0 GIADRO OCC1(C[NH2+]Cc2ccccc2Oc2ccc(F)cc2Cl)CCOCC1 ZINC000185831878 822825472 /nfs/dbraw/zinc/82/54/72/822825472.db2.gz UCNGJIQUSWCATO-UHFFFAOYSA-N 1 0 379.859 4.150 20 0 GIADRO O=C(CC1([NH+]2CCOCC2)CCCC1)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000174706080 822826226 /nfs/dbraw/zinc/82/62/26/822826226.db2.gz LVLTVFUGOIKBPI-QFIPXVFZSA-N 1 0 395.547 4.257 20 0 GIADRO CCCOc1c(Cl)cc(C(=O)N(CC(C)C)C2CC[NH+](C)CC2)cc1OC ZINC000053222503 822826607 /nfs/dbraw/zinc/82/66/07/822826607.db2.gz BKKYWZJPYFPGRV-UHFFFAOYSA-N 1 0 396.959 4.330 20 0 GIADRO Cc1c(C(=O)N(CC(C)C)C2CC[NH+](C)CC2)cnn1-c1ccc(Cl)cc1 ZINC000053231539 822827051 /nfs/dbraw/zinc/82/70/51/822827051.db2.gz LLRGWOIUPVEWIO-UHFFFAOYSA-N 1 0 388.943 4.027 20 0 GIADRO C[NH+](C)Cc1ccsc1C(=O)N1CCC(Cc2cc(F)cc(F)c2)CC1 ZINC000456726104 822827191 /nfs/dbraw/zinc/82/71/91/822827191.db2.gz PYVYWMWWJYKZQI-UHFFFAOYSA-N 1 0 378.488 4.183 20 0 GIADRO Cc1cc(C(=O)Nc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)c(C)n1C(C)C ZINC000185850505 822827286 /nfs/dbraw/zinc/82/72/86/822827286.db2.gz QAAGEVXUSQDPQW-UHFFFAOYSA-N 1 0 384.524 4.137 20 0 GIADRO Cc1nc(-c2cccnc2)nc(NCc2ccc(OCCC[NH+](C)C)cc2)c1C ZINC000174727272 822829029 /nfs/dbraw/zinc/82/90/29/822829029.db2.gz GDAHEGPXXQBANL-UHFFFAOYSA-N 1 0 391.519 4.098 20 0 GIADRO COc1ccccc1C[C@H]([NH2+]Cc1nnc(-c2ccccc2OC)o1)C(C)C ZINC000185877980 822829581 /nfs/dbraw/zinc/82/95/81/822829581.db2.gz PJBTZXDJXXHDQT-SFHVURJKSA-N 1 0 381.476 4.111 20 0 GIADRO COc1ccccc1C[C@@H]([NH2+]Cc1nnc(Cc2ccccc2C)o1)C(C)C ZINC000185889816 822830330 /nfs/dbraw/zinc/83/03/30/822830330.db2.gz VBYREWXRRCNSHS-HXUWFJFHSA-N 1 0 379.504 4.334 20 0 GIADRO O=C(CSc1ccccc1Cl)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000053350914 822831338 /nfs/dbraw/zinc/83/13/38/822831338.db2.gz NDSANJNAPFRCPK-UHFFFAOYSA-N 1 0 392.927 4.352 20 0 GIADRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2c[nH]c(=S)n2-c2ccccc2)C1 ZINC000053417450 822833875 /nfs/dbraw/zinc/83/38/75/822833875.db2.gz BDLPSCKPBBLYKA-IRXDYDNUSA-N 1 0 386.565 4.023 20 0 GIADRO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)C1 ZINC000174769303 822834797 /nfs/dbraw/zinc/83/47/97/822834797.db2.gz WZGCNJCHVAVDRV-SFHVURJKSA-N 1 0 378.476 4.443 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccccc2Oc2ccccc2)[C@H](C)C1 ZINC000174781189 822836208 /nfs/dbraw/zinc/83/62/08/822836208.db2.gz NKEGMMWLJOVQTN-NQIIRXRSSA-N 1 0 381.520 4.080 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H](c1ncc(C)s1)C1CC1 ZINC000174786091 822836768 /nfs/dbraw/zinc/83/67/68/822836768.db2.gz SRBDADJBVWIARQ-IBGZPJMESA-N 1 0 386.565 4.244 20 0 GIADRO CC[NH+](CC)CCOc1ccc(CNC(=O)c2c[nH]cc2-c2ccccc2)cc1 ZINC000053512577 822838033 /nfs/dbraw/zinc/83/80/33/822838033.db2.gz QZWVMUBRGLKMHN-UHFFFAOYSA-N 1 0 391.515 4.332 20 0 GIADRO CC(C)[NH+]1CCC(C(=O)N2CCC(c3nc(C(C)(C)C)cs3)CC2)CC1 ZINC000174799204 822838654 /nfs/dbraw/zinc/83/86/54/822838654.db2.gz UEJRUFBVEUTNEG-UHFFFAOYSA-N 1 0 377.598 4.267 20 0 GIADRO COc1ccc([C@@H](C)NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1F ZINC000053524267 822838781 /nfs/dbraw/zinc/83/87/81/822838781.db2.gz NUWVCMCZSNUURW-QAPCUYQASA-N 1 0 389.471 4.015 20 0 GIADRO C[C@@H](NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccc(F)cc1F ZINC000053524021 822838814 /nfs/dbraw/zinc/83/88/14/822838814.db2.gz YBGVTTSDZUAYRM-KDOFPFPSSA-N 1 0 377.435 4.145 20 0 GIADRO C[C@H](NC(=O)NC[C@@H](c1cccs1)[NH+](C)C)c1ccc(Br)cc1 ZINC000053528694 822839301 /nfs/dbraw/zinc/83/93/01/822839301.db2.gz QCPDVWYSIQDFJJ-WFASDCNBSA-N 1 0 396.354 4.174 20 0 GIADRO CCC[C@H]([NH2+]Cc1cc(Br)c(OC)c(OC)c1)c1cccnc1 ZINC000185977776 822840220 /nfs/dbraw/zinc/84/02/20/822840220.db2.gz SQRNHAIAHZOITI-INIZCTEOSA-N 1 0 379.298 4.492 20 0 GIADRO COc1cc(Br)c(C[NH2+][C@H](C)c2cc(C)ccc2O)cc1OC ZINC000185984982 822841036 /nfs/dbraw/zinc/84/10/36/822841036.db2.gz JKMSWVHOTYAKLN-GFCCVEGCSA-N 1 0 380.282 4.331 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)CSc2ccc(F)cc2F)CC1 ZINC000053596192 822841893 /nfs/dbraw/zinc/84/18/93/822841893.db2.gz BNSHJXZEVYMNHA-UHFFFAOYSA-N 1 0 390.499 4.146 20 0 GIADRO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)N(Cc1ccco1)Cc1cccs1 ZINC000053602812 822842374 /nfs/dbraw/zinc/84/23/74/822842374.db2.gz DWSLKEOCDFXYOV-IBGZPJMESA-N 1 0 395.528 4.327 20 0 GIADRO C[N@H+](Cc1cc(-c2cccs2)on1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000174827946 822842696 /nfs/dbraw/zinc/84/26/96/822842696.db2.gz PUHXJFWWKMMMAF-UHFFFAOYSA-N 1 0 377.510 4.234 20 0 GIADRO C[N@H+](Cc1nc2ccccc2n1C(F)F)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000174828485 822842804 /nfs/dbraw/zinc/84/28/04/822842804.db2.gz PACZIRNVQVAHEM-UHFFFAOYSA-N 1 0 394.466 4.263 20 0 GIADRO CC[C@@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1cccc(Cl)c1F ZINC000186032366 822845636 /nfs/dbraw/zinc/84/56/36/822845636.db2.gz JUBWOXKCMXINRG-GOSISDBHSA-N 1 0 396.915 4.260 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(-c2ccccc2)o1 ZINC000186039445 822846230 /nfs/dbraw/zinc/84/62/30/822846230.db2.gz BEQYZBUKIIHQGM-QGZVFWFLSA-N 1 0 396.512 4.337 20 0 GIADRO CC(C)(C[NH+]1CCCC1)NC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1 ZINC000457040376 822847701 /nfs/dbraw/zinc/84/77/01/822847701.db2.gz FNLYBLCYZPGEIA-UHFFFAOYSA-N 1 0 399.482 4.238 20 0 GIADRO Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)Nc2cccc(C[NH+](C)C)c2)cc1 ZINC000174868480 822848847 /nfs/dbraw/zinc/84/88/47/822848847.db2.gz HAMBSBFYIUNFFB-RBBKRZOGSA-N 1 0 381.520 4.346 20 0 GIADRO CSCc1ccccc1NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000186067564 822848848 /nfs/dbraw/zinc/84/88/48/822848848.db2.gz IQADCNUWYKITMA-UHFFFAOYSA-N 1 0 383.561 4.091 20 0 GIADRO CNC(=O)c1ccc(C[N@H+](C)CCOC(c2ccccc2)c2ccccc2)cc1 ZINC000053810633 822848982 /nfs/dbraw/zinc/84/89/82/822848982.db2.gz UPMORNGTYKLDED-UHFFFAOYSA-N 1 0 388.511 4.284 20 0 GIADRO C[C@@H](CC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)c1ccc(F)cc1F ZINC000457063121 822849226 /nfs/dbraw/zinc/84/92/26/822849226.db2.gz BACJNFFKENNTOI-ZDUSSCGKSA-N 1 0 392.412 4.334 20 0 GIADRO CCOc1ccc2cc(C(=O)N(C)C3CC[NH+](CCC(F)(F)F)CC3)[nH]c2c1 ZINC000457064104 822849285 /nfs/dbraw/zinc/84/92/85/822849285.db2.gz CBLCFDQPZBFNOJ-UHFFFAOYSA-N 1 0 397.441 4.055 20 0 GIADRO CN(C(=O)[C@@H]1CCC[C@@H]1c1ccccc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457075048 822850428 /nfs/dbraw/zinc/85/04/28/822850428.db2.gz VUJBCHILCOGVDP-RTBURBONSA-N 1 0 382.470 4.446 20 0 GIADRO CN(C(=O)c1cnc(-c2ccccc2)s1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457077434 822850530 /nfs/dbraw/zinc/85/05/30/822850530.db2.gz CMGIVCKWLPLRAT-UHFFFAOYSA-N 1 0 397.466 4.299 20 0 GIADRO C[NH+](C)Cc1ccc(C(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)cc1 ZINC000186089017 822850571 /nfs/dbraw/zinc/85/05/71/822850571.db2.gz YZBFQVXMYYOVKJ-UHFFFAOYSA-N 1 0 390.871 4.312 20 0 GIADRO CN(C(=O)C(C)(C)c1ccc(Cl)cc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457082676 822851063 /nfs/dbraw/zinc/85/10/63/822851063.db2.gz ISIGOLMUDSDMAC-UHFFFAOYSA-N 1 0 390.877 4.493 20 0 GIADRO CN(C(=O)COc1cccc2ccccc21)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457085147 822851527 /nfs/dbraw/zinc/85/15/27/822851527.db2.gz MELVMZRMNGKNPD-UHFFFAOYSA-N 1 0 394.437 4.094 20 0 GIADRO COCc1c2ccccc2oc1C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457086829 822851807 /nfs/dbraw/zinc/85/18/07/822851807.db2.gz PCTPAYFNCFXNRV-UHFFFAOYSA-N 1 0 398.425 4.068 20 0 GIADRO COc1cccc([C@@H](C)CC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000457087569 822851913 /nfs/dbraw/zinc/85/19/13/822851913.db2.gz QDBPFDAQNCSMLF-HNNXBMFYSA-N 1 0 386.458 4.064 20 0 GIADRO CC[C@H](C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)c1ccc(OC)cc1 ZINC000457087612 822851951 /nfs/dbraw/zinc/85/19/51/822851951.db2.gz QHRBKASLCRVCBH-SFHVURJKSA-N 1 0 386.458 4.064 20 0 GIADRO COc1cccc([C@H](C)CC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000457087570 822851962 /nfs/dbraw/zinc/85/19/62/822851962.db2.gz QDBPFDAQNCSMLF-OAHLLOKOSA-N 1 0 386.458 4.064 20 0 GIADRO CN(C(=O)CCCCC(=O)c1ccccc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457089234 822852158 /nfs/dbraw/zinc/85/21/58/822852158.db2.gz SOQJFBDCFUJEJQ-UHFFFAOYSA-N 1 0 398.469 4.305 20 0 GIADRO Cc1cc(C(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)c2ccccc2n1 ZINC000457088695 822852250 /nfs/dbraw/zinc/85/22/50/822852250.db2.gz SEVWKKIEXYJPGZ-UHFFFAOYSA-N 1 0 379.426 4.032 20 0 GIADRO CN(C(=O)c1cc2ccccc2cc1O)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457092976 822852729 /nfs/dbraw/zinc/85/27/29/822852729.db2.gz XTQYCIUSCKSZCC-UHFFFAOYSA-N 1 0 380.410 4.034 20 0 GIADRO CN(C(=O)CCc1ccnc2ccccc12)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457093637 822852887 /nfs/dbraw/zinc/85/28/87/822852887.db2.gz YJNPTWJRQYDFSI-UHFFFAOYSA-N 1 0 393.453 4.043 20 0 GIADRO C[C@@H]([NH2+][C@H](CO)c1cccc(Br)c1)c1cc2c(cc1O)CCCC2 ZINC000186121937 822853576 /nfs/dbraw/zinc/85/35/76/822853576.db2.gz SWPMGGDEWCILEX-BFUOFWGJSA-N 1 0 390.321 4.418 20 0 GIADRO Cc1csc([C@H](NC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)C2CC2)n1 ZINC000174911389 822854540 /nfs/dbraw/zinc/85/45/40/822854540.db2.gz ZLPSQTZSYDULEL-RTBURBONSA-N 1 0 384.549 4.039 20 0 GIADRO COc1ccc(NC(=O)NC2CC[NH+](C(C)C)CC2)cc1Cc1ccccc1 ZINC000053963030 822854640 /nfs/dbraw/zinc/85/46/40/822854640.db2.gz FAVQJHKUNNPBEZ-UHFFFAOYSA-N 1 0 381.520 4.280 20 0 GIADRO Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000457116029 822854792 /nfs/dbraw/zinc/85/47/92/822854792.db2.gz LAYLZSNCZQMSSX-GFCCVEGCSA-N 1 0 385.455 4.178 20 0 GIADRO CCN(Cc1ccncc1)C(=O)NC[C@H](c1ccccc1Cl)[NH+](CC)CC ZINC000053964979 822854806 /nfs/dbraw/zinc/85/48/06/822854806.db2.gz IEFSHYINLBOQQO-HXUWFJFHSA-N 1 0 388.943 4.350 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)CCc2ccc([C@@H]3C[C@H]3C)o2)CC1 ZINC000053968162 822854892 /nfs/dbraw/zinc/85/48/92/822854892.db2.gz MJNFUNGMMQPQHN-XMSQKQJNSA-N 1 0 380.532 4.425 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2cc(-c3cccc(F)c3)no2)CC1 ZINC000053968462 822854973 /nfs/dbraw/zinc/85/49/73/822854973.db2.gz HQNZQBNEHRWJHE-UHFFFAOYSA-N 1 0 393.462 4.184 20 0 GIADRO CCSCc1cc(C(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)no1 ZINC000186140626 822854975 /nfs/dbraw/zinc/85/49/75/822854975.db2.gz PPELQXPMEDYDLY-INIZCTEOSA-N 1 0 379.570 4.044 20 0 GIADRO CCC[C@@H]([NH2+][C@@H](C)c1sccc1OC)C(=O)N1CCc2sccc2C1 ZINC000186147992 822855676 /nfs/dbraw/zinc/85/56/76/822855676.db2.gz JYRNHKLQSQOIIY-DZGCQCFKSA-N 1 0 378.563 4.222 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1sccc1-n1cccc1 ZINC000174918569 822855857 /nfs/dbraw/zinc/85/58/57/822855857.db2.gz QCVPVUMIZZLECH-LJQANCHMSA-N 1 0 379.529 4.133 20 0 GIADRO Cc1cc(NC(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)ccc1N(C)C ZINC000174918521 822855938 /nfs/dbraw/zinc/85/59/38/822855938.db2.gz SCEXPDJSEBJRIA-JXFKEZNVSA-N 1 0 386.565 4.327 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)Nc2cccc(COc3cccc(F)c3)c2)CC[N@@H+]1C ZINC000174928645 822857381 /nfs/dbraw/zinc/85/73/81/822857381.db2.gz OHNMKIMXHDHWFN-JXFKEZNVSA-N 1 0 385.483 4.351 20 0 GIADRO CCc1cccc2c(CC(=O)N(C)C[C@@H]3CC[N@H+](Cc4ccccc4)C3)c[nH]c21 ZINC000174935792 822858010 /nfs/dbraw/zinc/85/80/10/822858010.db2.gz AWJYCTZOMOFWJO-FQEVSTJZSA-N 1 0 389.543 4.253 20 0 GIADRO CC(C)c1c(C(=O)NCCCC[N@H+](C)C2CC2)cnn1-c1ccccc1Cl ZINC000457165752 822858447 /nfs/dbraw/zinc/85/84/47/822858447.db2.gz KTEXUCFVIMSVDT-UHFFFAOYSA-N 1 0 388.943 4.253 20 0 GIADRO CC(=O)c1ccc(Oc2ccc(C(=O)NCCCC[N@@H+](C)C3CC3)cc2)cc1 ZINC000457168011 822858587 /nfs/dbraw/zinc/85/85/87/822858587.db2.gz NAEGELXURMUSSF-UHFFFAOYSA-N 1 0 380.488 4.286 20 0 GIADRO Cc1nn(C)cc1C(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457198258 822860411 /nfs/dbraw/zinc/86/04/11/822860411.db2.gz YGVPXTJKRWVLNJ-HSZRJFAPSA-N 1 0 394.563 4.026 20 0 GIADRO Cc1nc(-c2c[nH]c(C(=O)N(C)C[C@H]3CC[N@H+](Cc4ccccc4)C3)c2)cs1 ZINC000174953495 822860639 /nfs/dbraw/zinc/86/06/39/822860639.db2.gz ABSMIKOBQJDXDY-GOSISDBHSA-N 1 0 394.544 4.041 20 0 GIADRO COCc1cccc(C[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)c1 ZINC000054039515 822860650 /nfs/dbraw/zinc/86/06/50/822860650.db2.gz WGIJMJNTVXLBSK-UHFFFAOYSA-N 1 0 392.293 4.047 20 0 GIADRO Cc1nc(-c2cccc(Cl)c2)sc1C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000457212039 822860847 /nfs/dbraw/zinc/86/08/47/822860847.db2.gz WRPKNUAPGHPLCW-UHFFFAOYSA-N 1 0 377.941 4.376 20 0 GIADRO CC[C@@H](CC(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1)c1ccccc1 ZINC000186206206 822860938 /nfs/dbraw/zinc/86/09/38/822860938.db2.gz BRXMSUBEWRZBLP-SFHVURJKSA-N 1 0 381.520 4.408 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccccc1Br ZINC000174957185 822861013 /nfs/dbraw/zinc/86/10/13/822861013.db2.gz LDTRGMYCOKVAFQ-KRWDZBQOSA-N 1 0 387.321 4.043 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCc1c[nH]c2ccccc12 ZINC000174957817 822861195 /nfs/dbraw/zinc/86/11/95/822861195.db2.gz AWQIKESHOLGVKX-HXUWFJFHSA-N 1 0 375.516 4.081 20 0 GIADRO Cc1cc(C(=O)CCC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C)s1 ZINC000174957928 822861218 /nfs/dbraw/zinc/86/12/18/822861218.db2.gz PGWAVPILXLOKLC-FQEVSTJZSA-N 1 0 398.572 4.308 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)N[C@@H](C)c2cc(OC)ccc2OC)cc1 ZINC000054072788 822861403 /nfs/dbraw/zinc/86/14/03/822861403.db2.gz LSBXLRMGCJXIDH-KRWDZBQOSA-N 1 0 399.535 4.106 20 0 GIADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000174961510 822861886 /nfs/dbraw/zinc/86/18/86/822861886.db2.gz CXUUEHLRQGSFPB-PIGZYNQJSA-N 1 0 391.314 4.103 20 0 GIADRO Cc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1NC(=O)CC[NH+](C)C ZINC000186224901 822862368 /nfs/dbraw/zinc/86/23/68/822862368.db2.gz NCUDXLYFFOPFRM-UHFFFAOYSA-N 1 0 381.520 4.435 20 0 GIADRO COC[C@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)c1ccc(F)c(F)c1 ZINC000186225428 822862504 /nfs/dbraw/zinc/86/25/04/822862504.db2.gz CEXOMKSTPZAYRT-QFYYESIMSA-N 1 0 386.236 4.471 20 0 GIADRO C[NH+](C)Cc1c2ccccc2oc1C(=O)NCc1nc2ccccc2n1C1CC1 ZINC000186247497 822864562 /nfs/dbraw/zinc/86/45/62/822864562.db2.gz VOIBZKUZHKCNBV-UHFFFAOYSA-N 1 0 388.471 4.109 20 0 GIADRO Cc1c2ccccc2oc1C(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1 ZINC000186248272 822864655 /nfs/dbraw/zinc/86/46/55/822864655.db2.gz CSOGZHFMHIAMMK-UHFFFAOYSA-N 1 0 379.460 4.192 20 0 GIADRO Cc1ccc(NC(=O)c2csc3c2CC[C@H](C)C3)cc1NC(=O)CC[NH+](C)C ZINC000186254716 822865549 /nfs/dbraw/zinc/86/55/49/822865549.db2.gz CGLNJNYIESXKOW-AWEZNQCLSA-N 1 0 399.560 4.324 20 0 GIADRO CC(C)N1CCC[C@H]([NH2+][C@@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)C1=O ZINC000174999045 822865566 /nfs/dbraw/zinc/86/55/66/822865566.db2.gz XAPFBTKTLUBVQA-KKSFZXQISA-N 1 0 397.494 4.128 20 0 GIADRO CC(C)[C@H](NC(=O)c1ccc(C[NH+](C)C)nc1)c1cccc(C(F)(F)F)c1 ZINC000568964158 822865628 /nfs/dbraw/zinc/86/56/28/822865628.db2.gz WOFYVAIMTVCUFF-SFHVURJKSA-N 1 0 379.426 4.289 20 0 GIADRO Cc1ccc(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1NC(=O)CC[NH+](C)C ZINC000186259611 822866033 /nfs/dbraw/zinc/86/60/33/822866033.db2.gz AEEYXNJLECDJHB-IPMKNSEASA-N 1 0 385.552 4.430 20 0 GIADRO Cc1ccccc1O[C@H]1CCCC[C@@H]1[NH2+]CCc1nc2ccccc2c(=O)[nH]1 ZINC000568967920 822866116 /nfs/dbraw/zinc/86/61/16/822866116.db2.gz MJJWHDQPNUTAAU-FPOVZHCZSA-N 1 0 377.488 4.166 20 0 GIADRO COc1cc(NC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)ccc1OC(C)C ZINC000186260085 822866227 /nfs/dbraw/zinc/86/62/27/822866227.db2.gz ZPEGUHBDDUPABP-GOSISDBHSA-N 1 0 389.471 4.046 20 0 GIADRO CCCOc1ccc(C(F)(F)F)cc1NC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000568971739 822866566 /nfs/dbraw/zinc/86/65/66/822866566.db2.gz KRCCYBPVMJVBGZ-LSDHHAIUSA-N 1 0 399.457 4.348 20 0 GIADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)CC2(CCc3ccccc3)CCCC2)CC1 ZINC000568974769 822866854 /nfs/dbraw/zinc/86/68/54/822866854.db2.gz YVDPKVCOYBDQIX-UPVQGACJSA-N 1 0 398.591 4.315 20 0 GIADRO CC[C@H](C)NC(=O)c1ccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000054195587 822867658 /nfs/dbraw/zinc/86/76/58/822867658.db2.gz RNTXJHBXFWFWBZ-SFHVURJKSA-N 1 0 393.531 4.453 20 0 GIADRO [NH3+]CCCn1ccc2cc(C(=O)NC[C@@H](c3ccccc3)C(F)(F)F)ccc21 ZINC000568998707 822868534 /nfs/dbraw/zinc/86/85/34/822868534.db2.gz KASVTRKRLWUGEM-SFHVURJKSA-N 1 0 389.421 4.066 20 0 GIADRO COc1ccccc1/C(C)=C/C(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000175021163 822868864 /nfs/dbraw/zinc/86/88/64/822868864.db2.gz FXGFVDMRKBOHMU-HTXNQAPBSA-N 1 0 378.516 4.222 20 0 GIADRO C[NH2+]Cc1ccc(NC(=O)[C@H]2C[C@@]23CCc2cc(Br)ccc23)cc1 ZINC000569004440 822869048 /nfs/dbraw/zinc/86/90/48/822869048.db2.gz FBPGPDUZVQXUJJ-UYAOXDASSA-N 1 0 385.305 4.011 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H](C)Cc1cccs1 ZINC000175022671 822869219 /nfs/dbraw/zinc/86/92/19/822869219.db2.gz CAYWYOLBFKQMBA-ICSRJNTNSA-N 1 0 385.577 4.233 20 0 GIADRO C[NH+]1CCN(Cc2ccc(NC(=O)c3cc4c(s3)CCCCC4)cc2)CC1 ZINC000569012345 822869631 /nfs/dbraw/zinc/86/96/31/822869631.db2.gz JWGMTFOYRFJVIF-UHFFFAOYSA-N 1 0 383.561 4.017 20 0 GIADRO COc1ccc(C(=O)Nc2cccc(C[NH2+]CCC[C@H]3CCCCO3)c2)cc1 ZINC000186282954 822870112 /nfs/dbraw/zinc/87/01/12/822870112.db2.gz JKRPJFLQBUYADY-JOCHJYFZSA-N 1 0 382.504 4.386 20 0 GIADRO [NH3+][C@H]1CN(C(=O)c2[nH]c3ccc(F)cc3c2Cl)CC[C@H]1c1ccc(F)cc1 ZINC000457363192 822870355 /nfs/dbraw/zinc/87/03/55/822870355.db2.gz AFHSMVIRBFWUHY-HOCLYGCPSA-N 1 0 389.833 4.057 20 0 GIADRO COc1ccccc1[C@H]1[C@@H]([NH3+])CCCN1C(=O)[C@@H](C)c1ccc(Cl)s1 ZINC000457363887 822870647 /nfs/dbraw/zinc/87/06/47/822870647.db2.gz QCGWFUDITXMZTN-YEWDVWPNSA-N 1 0 378.925 4.205 20 0 GIADRO CC1(C)CN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)[C@@H]1c1ccncc1 ZINC000457370252 822870972 /nfs/dbraw/zinc/87/09/72/822870972.db2.gz DMGFAPMTVMCCAV-LEWJYISDSA-N 1 0 378.520 4.011 20 0 GIADRO [NH3+][C@H]1CN(C(=O)CCCc2nc3ccccc3s2)CC[C@H]1c1ccc(F)cc1 ZINC000457374883 822871262 /nfs/dbraw/zinc/87/12/62/822871262.db2.gz WZCOWAALQMMOPH-ROUUACIJSA-N 1 0 397.519 4.102 20 0 GIADRO COc1ccc([C@@H]2CCN(C(=O)c3occc3-c3ccccc3)C[C@H]2[NH3+])cc1F ZINC000457379122 822871449 /nfs/dbraw/zinc/87/14/49/822871449.db2.gz NQRNHPJYIKDYDO-FXAWDEMLSA-N 1 0 394.446 4.051 20 0 GIADRO COc1ccc([C@@H]2CCN(C(=O)CC[C@@H](C)c3ccccc3)C[C@@H]2[NH3+])cc1F ZINC000457377168 822871498 /nfs/dbraw/zinc/87/14/98/822871498.db2.gz MOHQVRBPKFLQGC-PBEJRMEISA-N 1 0 384.495 4.061 20 0 GIADRO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000457379779 822871519 /nfs/dbraw/zinc/87/15/19/822871519.db2.gz ULIQYCWUACENOC-CXAGYDPISA-N 1 0 376.932 4.437 20 0 GIADRO COc1ccccc1[C@H](NC(=O)N(C)CCC[NH+](C)C)c1ccccc1Cl ZINC000186291217 822871618 /nfs/dbraw/zinc/87/16/18/822871618.db2.gz WWUCUTLFDQQLMS-HXUWFJFHSA-N 1 0 389.927 4.031 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)c3cc(Cl)cc(F)c3N)C2)s1 ZINC000569036527 822871907 /nfs/dbraw/zinc/87/19/07/822871907.db2.gz HJQANGKIEDXAHM-CYBMUJFWSA-N 1 0 395.931 4.025 20 0 GIADRO CCc1ccc2occ(C(=O)N3CC[C@@H](c4ccc(OC)c(F)c4)[C@@H]([NH3+])C3)c2c1 ZINC000457385286 822872074 /nfs/dbraw/zinc/87/20/74/822872074.db2.gz SFEGGXQPIXSWSC-JXFKEZNVSA-N 1 0 396.462 4.100 20 0 GIADRO COc1ccc([C@@H]2CCN(C(=O)c3csc4ccccc43)C[C@@H]2[NH3+])cc1F ZINC000457389967 822872384 /nfs/dbraw/zinc/87/23/84/822872384.db2.gz WGZMWMFEJQXFLB-KSSFIOAISA-N 1 0 384.476 4.006 20 0 GIADRO CC[C@H](C)[NH2+][C@H](CNC(=O)c1cnccc1Oc1ccccc1)c1ccco1 ZINC000569042155 822872531 /nfs/dbraw/zinc/87/25/31/822872531.db2.gz WFUAFUPTGOUGJH-QFBILLFUSA-N 1 0 379.460 4.326 20 0 GIADRO CC1(C)OCc2cc(C[NH+]3CCC(NC(=O)Nc4ccccc4)CC3)ccc2O1 ZINC000186302340 822873309 /nfs/dbraw/zinc/87/33/09/822873309.db2.gz RELDBDZGTXOFRU-UHFFFAOYSA-N 1 0 395.503 4.118 20 0 GIADRO COc1cccc(OC)c1OCCCC[N@@H+]1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000569047067 822873410 /nfs/dbraw/zinc/87/34/10/822873410.db2.gz NPDLRGCABHQJDJ-AZUAARDMSA-N 1 0 385.504 4.325 20 0 GIADRO Cc1nc([C@H]2CCCN2C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cs1 ZINC000186310487 822874533 /nfs/dbraw/zinc/87/45/33/822874533.db2.gz HERWPDTTYFCGDD-TXPKVOOTSA-N 1 0 378.586 4.056 20 0 GIADRO CC(C)[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccsc1)c1nc2ccccc2[nH]1 ZINC000457426767 822874541 /nfs/dbraw/zinc/87/45/41/822874541.db2.gz BHHREYSJECXDST-LJQANCHMSA-N 1 0 399.564 4.095 20 0 GIADRO CCC(CC)(OC)c1noc([C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000569056156 822874622 /nfs/dbraw/zinc/87/46/22/822874622.db2.gz XRKWLFKDICZRNA-SFHVURJKSA-N 1 0 397.441 4.437 20 0 GIADRO CCC[N@@H+]1CC[C@@H](CNC(=O)NC(C)(C)c2ccc(Br)c(C)c2)C1 ZINC000569055798 822874742 /nfs/dbraw/zinc/87/47/42/822874742.db2.gz SCUJNHHVEQPEGP-HNNXBMFYSA-N 1 0 396.373 4.024 20 0 GIADRO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)N1C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000457443709 822875400 /nfs/dbraw/zinc/87/54/00/822875400.db2.gz SRZSCUFJWRTMCQ-DGAVXFQQSA-N 1 0 377.476 4.112 20 0 GIADRO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)N1C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000457443713 822875574 /nfs/dbraw/zinc/87/55/74/822875574.db2.gz SRZSCUFJWRTMCQ-RFQIPJPRSA-N 1 0 377.476 4.112 20 0 GIADRO Cc1ccc(NC(=O)N2CC[NH+](C3CCCC3)CC2)c(-c2nc(C3CC3)no2)c1 ZINC000175060993 822875693 /nfs/dbraw/zinc/87/56/93/822875693.db2.gz ZULGZGGFFMJDOY-UHFFFAOYSA-N 1 0 395.507 4.015 20 0 GIADRO C[C@H]([NH2+][C@@H](C)[C@@H](c1ccccc1)N(C)C)c1ccc(OCc2nccn2C)cc1 ZINC000186320858 822875910 /nfs/dbraw/zinc/87/59/10/822875910.db2.gz IAITUVVLZHKPDT-JXQFQVJHSA-N 1 0 392.547 4.341 20 0 GIADRO Cc1ccc(-c2noc(CCCN3CC[N@@H+](C)CC34CCCCC4)n2)cc1F ZINC000175063391 822876271 /nfs/dbraw/zinc/87/62/71/822876271.db2.gz GSBWPEXJNIYFDQ-UHFFFAOYSA-N 1 0 386.515 4.067 20 0 GIADRO Cc1cnc([C@H](NC(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)C2CC2)s1 ZINC000186331231 822877244 /nfs/dbraw/zinc/87/72/44/822877244.db2.gz LIKLEHLHRFFVMV-WOJBJXKFSA-N 1 0 398.576 4.112 20 0 GIADRO CC[C@H](c1ccncc1)N(C)C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000186332743 822877388 /nfs/dbraw/zinc/87/73/88/822877388.db2.gz ODMBHBUMMYQZCL-FGZHOGPDSA-N 1 0 380.536 4.085 20 0 GIADRO Cc1ccc(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)c(-c2nc(C3CC3)no2)c1 ZINC000175072968 822877666 /nfs/dbraw/zinc/87/76/66/822877666.db2.gz BSSRCJPRPZZUSP-UHFFFAOYSA-N 1 0 397.523 4.307 20 0 GIADRO Cc1ccc(Oc2ccc(C(=O)N3CCC([NH+]4CCCCC4)CC3)nc2)cc1 ZINC000457466971 822877807 /nfs/dbraw/zinc/87/78/07/822877807.db2.gz BYBCBGBOMILUBF-UHFFFAOYSA-N 1 0 379.504 4.273 20 0 GIADRO CN(C(=O)Nc1cccc2c1OC(C)(C)C2)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000569079499 822877900 /nfs/dbraw/zinc/87/79/00/822877900.db2.gz FCZNFKDCWWXSHD-UHFFFAOYSA-N 1 0 399.457 4.281 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2ccccc2OC(F)F)C1 ZINC000054355982 822877968 /nfs/dbraw/zinc/87/79/68/822877968.db2.gz QEGNMJAPJPKKHC-ZBFHGGJFSA-N 1 0 375.419 4.245 20 0 GIADRO Cc1nc(-c2ccccc2NC(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)cs1 ZINC000569082913 822878250 /nfs/dbraw/zinc/87/82/50/822878250.db2.gz CEXJAGUQVOIPLF-IBGZPJMESA-N 1 0 384.549 4.360 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)N1CCC[C@H]1c1ccc(F)cc1F)c1cccs1 ZINC000457471184 822878296 /nfs/dbraw/zinc/87/82/96/822878296.db2.gz ZDYREAKFUJJRBD-IRXDYDNUSA-N 1 0 379.476 4.176 20 0 GIADRO O=C(c1ccsc1)N1CCC[N@@H+](CCCOc2ccc(Cl)cc2)CC1 ZINC000054362665 822878491 /nfs/dbraw/zinc/87/84/91/822878491.db2.gz HYRBPEKHMXJZOK-UHFFFAOYSA-N 1 0 378.925 4.019 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]C2CCC(O)(c3cccnc3)CC2)cc1 ZINC000186341472 822878550 /nfs/dbraw/zinc/87/85/50/822878550.db2.gz GORJWFFJQDDSGW-OXYBSBDGSA-N 1 0 376.504 4.057 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)c(C)c1OC ZINC000569089061 822879002 /nfs/dbraw/zinc/87/90/02/822879002.db2.gz DNEWZWYGDPCQNU-BHYGNILZSA-N 1 0 382.504 4.029 20 0 GIADRO CC(C)Nc1ncccc1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000175083759 822879415 /nfs/dbraw/zinc/87/94/15/822879415.db2.gz UJAQZPDAJKNJHD-AZUAARDMSA-N 1 0 380.536 4.027 20 0 GIADRO Cc1c(Br)ccnc1NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000569092851 822879508 /nfs/dbraw/zinc/87/95/08/822879508.db2.gz PLTYVGPXJQONFV-UHFFFAOYSA-N 1 0 395.345 4.071 20 0 GIADRO C[C@@H]1CC[C@@H](CCC(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)O1 ZINC000175087359 822879785 /nfs/dbraw/zinc/87/97/85/822879785.db2.gz BNBKYRXWOZFUKW-APWZRJJASA-N 1 0 398.469 4.087 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccc3c(c2)COC(C)(C)O3)C1)CC(F)(F)F ZINC000186349845 822879957 /nfs/dbraw/zinc/87/99/57/822879957.db2.gz AYBUBFWQLXISPT-INIZCTEOSA-N 1 0 386.458 4.038 20 0 GIADRO Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C2CCC(O)(c3cccnc3)CC2)c1 ZINC000186352823 822880715 /nfs/dbraw/zinc/88/07/15/822880715.db2.gz JVSGFNYRMDOBAX-NNDYNSRJSA-N 1 0 376.447 4.472 20 0 GIADRO CCc1ccccc1[C@H]([NH3+])CNC(=O)Cc1csc(-c2cccc(C)c2)n1 ZINC000569118398 822881255 /nfs/dbraw/zinc/88/12/55/822881255.db2.gz GYAOGWFFZVOFNJ-HXUWFJFHSA-N 1 0 379.529 4.040 20 0 GIADRO Cc1cc(F)ccc1NC(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000175098009 822881942 /nfs/dbraw/zinc/88/19/42/822881942.db2.gz ZYAFGFXUAPYGEC-UHFFFAOYSA-N 1 0 399.510 4.327 20 0 GIADRO COc1cccc([C@@H](C[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)N2CCCC2)c1 ZINC000186361244 822882127 /nfs/dbraw/zinc/88/21/27/822882127.db2.gz DBYDRJBLWJGDCP-JOCHJYFZSA-N 1 0 396.531 4.267 20 0 GIADRO O=C(NCC1=CC[NH2+]CC1)[C@@H](Sc1ccc(F)c(Cl)c1)c1ccccc1 ZINC000186361324 822882137 /nfs/dbraw/zinc/88/21/37/822882137.db2.gz DTDCPXAORFAZAK-IBGZPJMESA-N 1 0 390.911 4.348 20 0 GIADRO CC(=O)Nc1ccc(C)c(NC(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)c1 ZINC000175099802 822882207 /nfs/dbraw/zinc/88/22/07/822882207.db2.gz CYWIJQGPZAJDEN-GOSISDBHSA-N 1 0 394.519 4.082 20 0 GIADRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)[C@@]2(C)CCCCO2)CC1 ZINC000457503675 822882984 /nfs/dbraw/zinc/88/29/84/822882984.db2.gz MNVKNBNNFJRDOW-HXUWFJFHSA-N 1 0 398.469 4.087 20 0 GIADRO CC(C)C[C@H]1OCCC[C@@H]1[NH2+]Cc1nnc(-c2ccccc2Br)o1 ZINC000186369402 822883043 /nfs/dbraw/zinc/88/30/43/822883043.db2.gz MBKPNXCRHQNBOT-JKSUJKDBSA-N 1 0 394.313 4.182 20 0 GIADRO C[NH+](C)CCc1ccc(C(=O)N2CCC(Cc3cc(F)ccc3F)CC2)cc1 ZINC000569138594 822883116 /nfs/dbraw/zinc/88/31/16/822883116.db2.gz OHADKXHQTATKLU-UHFFFAOYSA-N 1 0 386.486 4.164 20 0 GIADRO CC1(C)OCc2cc(C[NH2+]CC3(c4ccc(F)cc4)CCOCC3)ccc2O1 ZINC000186369816 822883179 /nfs/dbraw/zinc/88/31/79/822883179.db2.gz LBHBHZZLMMSFNH-UHFFFAOYSA-N 1 0 385.479 4.309 20 0 GIADRO COC(=O)N1CCC([C@H](C)[NH2+]Cc2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000186370312 822883321 /nfs/dbraw/zinc/88/33/21/822883321.db2.gz CWYQTMZBHINLHA-ZDUSSCGKSA-N 1 0 393.940 4.420 20 0 GIADRO COc1ccccc1C[C@H]1CCC[N@@H+]1Cc1c(C)nn(-c2ccccn2)c1C ZINC000569142176 822883358 /nfs/dbraw/zinc/88/33/58/822883358.db2.gz DWXJWVZZFBIZAS-HXUWFJFHSA-N 1 0 376.504 4.100 20 0 GIADRO CCC(=O)Nc1ccc(C)c(NC(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000054412265 822883426 /nfs/dbraw/zinc/88/34/26/822883426.db2.gz ALZHGWUAODRBDW-HOTGVXAUSA-N 1 0 388.556 4.222 20 0 GIADRO CCc1ccc([C@H](CN[C@H](c2cccs2)c2nc[nH]n2)[NH+](CC)CC)cc1 ZINC000569146161 822883743 /nfs/dbraw/zinc/88/37/43/822883743.db2.gz NTVFDPZZAHDOKJ-AZUAARDMSA-N 1 0 383.565 4.191 20 0 GIADRO CC[C@H]([NH2+][C@@H]1CCC[C@H]2CN(C(C)=O)C[C@H]21)c1cc(F)cc(Br)c1 ZINC000569149845 822884152 /nfs/dbraw/zinc/88/41/52/822884152.db2.gz QVJLNOILEZMHCM-NUDXDXSLSA-N 1 0 397.332 4.276 20 0 GIADRO CCc1noc(C2CCC([NH2+]C[C@@H](OC(C)C)c3ccccc3OC)CC2)n1 ZINC000186379261 822884975 /nfs/dbraw/zinc/88/49/75/822884975.db2.gz CBERPKYCPWTJGY-LBXVMSDZSA-N 1 0 387.524 4.423 20 0 GIADRO CCCC(=O)Nc1cccc(NC(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000054436932 822885540 /nfs/dbraw/zinc/88/55/40/822885540.db2.gz IWTNGNNBYGEMDS-UWJYYQICSA-N 1 0 394.519 4.382 20 0 GIADRO COc1ccccc1[C@H](C[NH2+][C@@H](c1cnn(C)c1)c1cccc(F)c1)OC(C)C ZINC000186383238 822885660 /nfs/dbraw/zinc/88/56/60/822885660.db2.gz MNTAISMUONSDDV-XZOQPEGZSA-N 1 0 397.494 4.413 20 0 GIADRO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1ccc(-c2cncnc2)cc1F ZINC000186384257 822885692 /nfs/dbraw/zinc/88/56/92/822885692.db2.gz ZNBCZPXHSKRYPM-UHFFFAOYSA-N 1 0 396.510 4.201 20 0 GIADRO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2cc(NC(=O)c3ccccc3)ccc2C)C1 ZINC000175121002 822886251 /nfs/dbraw/zinc/88/62/51/822886251.db2.gz NRPFNTLCCWPKHJ-FQEVSTJZSA-N 1 0 394.519 4.195 20 0 GIADRO CC[C@H](c1cccc(OC)c1)N(C)C(=O)c1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000569163238 822886713 /nfs/dbraw/zinc/88/67/13/822886713.db2.gz HAYQCRNMQWBDNJ-HSZRJFAPSA-N 1 0 395.547 4.060 20 0 GIADRO O=C([C@H]1C[C@@H]1c1cccc2ccccc21)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000175125604 822887680 /nfs/dbraw/zinc/88/76/80/822887680.db2.gz ADTHFIQYPGJWHQ-RPWUZVMVSA-N 1 0 392.543 4.047 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)N[C@H](C)c2nc3c(s2)CCC3)cc1 ZINC000457539459 822887847 /nfs/dbraw/zinc/88/78/47/822887847.db2.gz XYTDSNRDYPITLM-OAHLLOKOSA-N 1 0 386.565 4.034 20 0 GIADRO CC1(C)OCc2cc(CN3CC[C@]4(CC[N@H+](Cc5ccccc5)C4)C3)ccc2O1 ZINC000569172411 822888499 /nfs/dbraw/zinc/88/84/99/822888499.db2.gz VAJQHXCVGBPYHY-VWLOTQADSA-N 1 0 392.543 4.430 20 0 GIADRO CC[C@H](CC(F)F)C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000457545877 822888825 /nfs/dbraw/zinc/88/88/25/822888825.db2.gz YQQHRIDPUUWEBJ-OAHLLOKOSA-N 1 0 381.467 4.121 20 0 GIADRO CN1CC[C@H]([NH2+]Cc2ccc3c(c2)COC(C)(C)O3)[C@H]1c1ccc(F)c(F)c1 ZINC000186403816 822888917 /nfs/dbraw/zinc/88/89/17/822888917.db2.gz GEIFVRJZPQXJCI-PZJWPPBQSA-N 1 0 388.458 4.145 20 0 GIADRO CC(C)c1ccccc1NC(=O)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000175133361 822889034 /nfs/dbraw/zinc/88/90/34/822889034.db2.gz KIYBZALABMCLRN-UZLBHIALSA-N 1 0 399.560 4.009 20 0 GIADRO CC(C)c1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1 ZINC000175135367 822889548 /nfs/dbraw/zinc/88/95/48/822889548.db2.gz XNZFUUZAEZVRLZ-PXNSSMCTSA-N 1 0 399.560 4.009 20 0 GIADRO COC(=O)N1CCC([C@H](C)[NH2+]Cc2nc(C)c(-c3ccc(Cl)cc3)o2)CC1 ZINC000186411753 822890105 /nfs/dbraw/zinc/89/01/05/822890105.db2.gz UGYKHWOFFLWICM-ZDUSSCGKSA-N 1 0 391.899 4.260 20 0 GIADRO CCOC(=O)N1CCC([C@H](C)[NH2+]Cc2coc(-c3cccc(Cl)c3)n2)CC1 ZINC000186418452 822891305 /nfs/dbraw/zinc/89/13/05/822891305.db2.gz DPXYBLGRVIKWRW-AWEZNQCLSA-N 1 0 391.899 4.342 20 0 GIADRO CCC[N@@H+]1CC[C@@H](CNC(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000054510976 822891808 /nfs/dbraw/zinc/89/18/08/822891808.db2.gz SNAPRXSTHWBQNW-HNNXBMFYSA-N 1 0 384.351 4.399 20 0 GIADRO CCOC(=O)N1CCC([C@H](C)[NH2+]Cc2csc(Cc3ccccc3)n2)CC1 ZINC000186427417 822893117 /nfs/dbraw/zinc/89/31/17/822893117.db2.gz IWBNXCOYSQPHIW-INIZCTEOSA-N 1 0 387.549 4.081 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)c2cc(Br)co2)CC[N@@H+]1Cc1ccccc1 ZINC000457572493 822893118 /nfs/dbraw/zinc/89/31/18/822893118.db2.gz IVLNDXRCQMXFNR-RHSMWYFYSA-N 1 0 391.309 4.167 20 0 GIADRO Brc1cccc2c1CCC[C@H]2[NH2+]Cc1ccc(Cn2cncn2)cc1 ZINC000569208229 822893270 /nfs/dbraw/zinc/89/32/70/822893270.db2.gz ZZFKXOBMECDFKF-HXUWFJFHSA-N 1 0 397.320 4.256 20 0 GIADRO O[C@H](C[NH2+][C@H]1CCOC2(CCCC2)C1)Cn1c2ccccc2c2ccccc21 ZINC000569232066 822894819 /nfs/dbraw/zinc/89/48/19/822894819.db2.gz HSMKSULEFIEMMY-RBUKOAKNSA-N 1 0 378.516 4.237 20 0 GIADRO CCCN(C(=O)NCCCC[NH+]1CCOCC1)[C@H](C)c1cc2ccccc2o1 ZINC000054565086 822895569 /nfs/dbraw/zinc/89/55/69/822895569.db2.gz SRPJYPAKNUUEGO-GOSISDBHSA-N 1 0 387.524 4.028 20 0 GIADRO COc1ccc(-c2ccc(C(=O)N3CCC([C@@H]4[NH2+]CC4(C)C)CC3)c(F)c2)cc1 ZINC000569240659 822895748 /nfs/dbraw/zinc/89/57/48/822895748.db2.gz XZSCIKLWAVPHGS-QFIPXVFZSA-N 1 0 396.506 4.352 20 0 GIADRO Cc1c(Cl)cncc1C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000457623545 822898217 /nfs/dbraw/zinc/89/82/17/822898217.db2.gz WUBUMPSAIFQPSI-JOCHJYFZSA-N 1 0 383.923 4.172 20 0 GIADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000569267931 822898660 /nfs/dbraw/zinc/89/86/60/822898660.db2.gz QPDFVRIEIVCNOI-QGZVFWFLSA-N 1 0 381.398 4.138 20 0 GIADRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1ccc(-c2cncnc2)cc1F ZINC000186463833 822899543 /nfs/dbraw/zinc/89/95/43/822899543.db2.gz IHWAHNKVBYKWQI-UHFFFAOYSA-N 1 0 390.462 4.439 20 0 GIADRO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@@H](C)CCCc1cccnc1 ZINC000457645047 822900430 /nfs/dbraw/zinc/90/04/30/822900430.db2.gz ILEYDGFZDNOIIT-IBGZPJMESA-N 1 0 382.552 4.132 20 0 GIADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc(Oc4cccc(Cl)c4)cn3)CC[C@@H]21 ZINC000457645544 822900759 /nfs/dbraw/zinc/90/07/59/822900759.db2.gz FWKVBNWTCYQZBG-QRWLVFNGSA-N 1 0 385.895 4.084 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)Nc1cccnc1C(F)(F)F ZINC000569287110 822901719 /nfs/dbraw/zinc/90/17/19/822901719.db2.gz PQDNGENDZWOXCO-OAHLLOKOSA-N 1 0 392.425 4.229 20 0 GIADRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)[C@@H]1C[C@]1(C)C(C)C ZINC000186478179 822901859 /nfs/dbraw/zinc/90/18/59/822901859.db2.gz ILPIEOLTDSBHBC-ZRCGQRJVSA-N 1 0 380.536 4.259 20 0 GIADRO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1[nH]ccc1C1CC1 ZINC000457657556 822902214 /nfs/dbraw/zinc/90/22/14/822902214.db2.gz FKLSUENPJXTSMF-IBGZPJMESA-N 1 0 389.503 4.096 20 0 GIADRO CC[C@H](CC(F)F)C(=O)Nc1c(C)cnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000457661598 822902809 /nfs/dbraw/zinc/90/28/09/822902809.db2.gz IHQSKPOBCDAHNU-QZTJIDSGSA-N 1 0 390.478 4.258 20 0 GIADRO Cc1c([C@@H](C)[NH2+]CCc2nn(C)c3ccccc23)cnn1-c1ccc(F)cc1 ZINC000186485076 822902909 /nfs/dbraw/zinc/90/29/09/822902909.db2.gz AGWMRRMXEYAMOB-OAHLLOKOSA-N 1 0 377.467 4.100 20 0 GIADRO Cc1cc(NC(=O)c2[nH]ccc2C2CC2)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000457664469 822903447 /nfs/dbraw/zinc/90/34/47/822903447.db2.gz IHNYGXJBZIZPLR-LJQANCHMSA-N 1 0 389.503 4.096 20 0 GIADRO Cc1cccc(CN(C)C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)n1 ZINC000457666934 822903638 /nfs/dbraw/zinc/90/36/38/822903638.db2.gz KXBGUZLOWGIKKW-FQEVSTJZSA-N 1 0 386.927 4.022 20 0 GIADRO CCOc1cc(C[N@@H+]2CCSC3(CCOCC3)C2)ccc1OCC(C)C ZINC000186490288 822903953 /nfs/dbraw/zinc/90/39/53/822903953.db2.gz FAASSKRXCHUIGB-UHFFFAOYSA-N 1 0 379.566 4.218 20 0 GIADRO Cc1cccc([C@H]2NC(=O)N(C3CC[NH+]([C@@H](C)c4ccccc4)CC3)C2=O)c1C ZINC000569301057 822904348 /nfs/dbraw/zinc/90/43/48/822904348.db2.gz ODTQJXVFQDGKOL-PGRDOPGGSA-N 1 0 391.515 4.122 20 0 GIADRO c1nc2ccccc2n1-c1ccc(C[N@@H+]2CCSC3(CCOCC3)C2)cc1 ZINC000186492514 822904441 /nfs/dbraw/zinc/90/44/41/822904441.db2.gz JFVSPJYRWRBLCG-UHFFFAOYSA-N 1 0 379.529 4.124 20 0 GIADRO COc1ccccc1-c1ncc(C[NH2+][C@H]2CCO[C@@H](c3ccccc3)C2)cn1 ZINC000569303836 822904589 /nfs/dbraw/zinc/90/45/89/822904589.db2.gz VNNBVGMCXNDIKX-SIKLNZKXSA-N 1 0 375.472 4.162 20 0 GIADRO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1c[nH]cc1-c1ccc(Cl)s1 ZINC000054675597 822904697 /nfs/dbraw/zinc/90/46/97/822904697.db2.gz MEYBABXKBIHOTF-HNNXBMFYSA-N 1 0 385.920 4.401 20 0 GIADRO Cc1cc(NC(=O)[C@@H](C)CC(F)(F)F)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000457675030 822904910 /nfs/dbraw/zinc/90/49/10/822904910.db2.gz MPIJWTHFVGZGGT-WMLDXEAASA-N 1 0 394.441 4.166 20 0 GIADRO Cc1cccc2c1[nH+]cc(C)c2N1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000186496310 822905011 /nfs/dbraw/zinc/90/50/11/822905011.db2.gz ATZUBNSYZLJKGJ-UHFFFAOYSA-N 1 0 393.438 4.049 20 0 GIADRO Brc1ccc(C[N@@H+]2CCSC3(CCOCC3)C2)c2ncccc12 ZINC000186496838 822905054 /nfs/dbraw/zinc/90/50/54/822905054.db2.gz OBOPZXGXKRBKNE-UHFFFAOYSA-N 1 0 393.350 4.095 20 0 GIADRO Cc1cccc([C@@H]2CCCN2C(=O)NC2CC[NH+](Cc3ccncc3)CC2)c1C ZINC000175212318 822905399 /nfs/dbraw/zinc/90/53/99/822905399.db2.gz DSAOKWSTWWWMEP-QHCPKHFHSA-N 1 0 392.547 4.210 20 0 GIADRO C[C@@H](Sc1ccccc1)c1ccc(NC(=O)N2CCN(CCO)C[C@@H]2C)cc1 ZINC000569311241 822905626 /nfs/dbraw/zinc/90/56/26/822905626.db2.gz SOLKHXRIMHVZST-ZWKOTPCHSA-N 1 0 399.560 4.070 20 0 GIADRO CC(C)c1nccn1Cc1cccc(NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000175216448 822906720 /nfs/dbraw/zinc/90/67/20/822906720.db2.gz QOXRSNJDLPPAQR-OAQYLSRUSA-N 1 0 397.567 4.393 20 0 GIADRO Cc1cc(C(=O)OC(C)(C)C)cc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000457688317 822906813 /nfs/dbraw/zinc/90/68/13/822906813.db2.gz VBGKPTSTNGIKKF-DYESRHJHSA-N 1 0 398.547 4.039 20 0 GIADRO O=C(Nc1ccc(Oc2ccccc2F)nc1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000569320489 822907174 /nfs/dbraw/zinc/90/71/74/822907174.db2.gz YMVCDVFSMVNFKS-VQIMIIECSA-N 1 0 398.482 4.399 20 0 GIADRO O=C(NCC1(CCOCc2ccccc2)CC1)c1cccc(C[NH+]2CCCC2)c1 ZINC000186521042 822907772 /nfs/dbraw/zinc/90/77/72/822907772.db2.gz JPQNJQAULZJQLS-UHFFFAOYSA-N 1 0 392.543 4.399 20 0 GIADRO CC[N@H+](CCC1CCN(C(=O)c2cc(Br)co2)CC1)CC(C)C ZINC000457698414 822908276 /nfs/dbraw/zinc/90/82/76/822908276.db2.gz FYJIAXLQVOGEJB-UHFFFAOYSA-N 1 0 385.346 4.262 20 0 GIADRO [NH3+][C@@H]1CN(C(=O)Nc2cccc(COC3CCCCC3)c2)C[C@H]1c1ccccc1 ZINC000569330147 822908268 /nfs/dbraw/zinc/90/82/68/822908268.db2.gz LRMKPXBIASWHCB-XZOQPEGZSA-N 1 0 393.531 4.495 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)N[C@@H](C)c1ccc(C)s1)[NH+]1CCCC1 ZINC000054732372 822908900 /nfs/dbraw/zinc/90/89/00/822908900.db2.gz VEQPDPGHTCVGNJ-FUHWJXTLSA-N 1 0 387.549 4.262 20 0 GIADRO COc1ccc(C[C@H]([NH2+][C@H](CCO)c2ccco2)c2ccc(OC)cc2)cc1 ZINC000186534956 822909986 /nfs/dbraw/zinc/90/99/86/822909986.db2.gz LJOMFUKWCVWUSV-YADHBBJMSA-N 1 0 381.472 4.294 20 0 GIADRO O=C(Nc1cccc(OCc2cccnc2)c1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000175234049 822910516 /nfs/dbraw/zinc/91/05/16/822910516.db2.gz ZLRUGSKQTCNIRH-NRFANRHFSA-N 1 0 394.519 4.047 20 0 GIADRO COc1ccc([C@@H](NC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)c2ccco2)cc1 ZINC000457734762 822912532 /nfs/dbraw/zinc/91/25/32/822912532.db2.gz KRYGYMBURCFXPL-XMSQKQJNSA-N 1 0 399.535 4.189 20 0 GIADRO CCCn1nc(C)c(C(=O)NC[C@@H](c2ccc(CC)cc2)[NH+](CC)CC)c1C ZINC000569373554 822912637 /nfs/dbraw/zinc/91/26/37/822912637.db2.gz JUDDPIZSZHXYCG-NRFANRHFSA-N 1 0 384.568 4.285 20 0 GIADRO COc1cccc([C@H]2C[C@H](N(C)C(=O)NCCCC[N@@H+]3CCCC[C@H]3C)C2)c1 ZINC000457739937 822912916 /nfs/dbraw/zinc/91/29/16/822912916.db2.gz OQQNMEFOYRJSJC-HMXCVIKNSA-N 1 0 387.568 4.237 20 0 GIADRO CC(C)(C[NH2+]C1CCN(Cc2ccncc2)CC1)c1cccc(Cl)c1F ZINC000186565791 822914370 /nfs/dbraw/zinc/91/43/70/822914370.db2.gz PIOVBGVFANOHRE-UHFFFAOYSA-N 1 0 375.919 4.406 20 0 GIADRO Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+]C(C)(C)c1cccc(Cl)c1F ZINC000186567793 822914616 /nfs/dbraw/zinc/91/46/16/822914616.db2.gz VOSXPPCLBZUVBK-UHFFFAOYSA-N 1 0 395.906 4.269 20 0 GIADRO CC1CC[NH+](CCCCNC(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)CC1 ZINC000457753468 822914722 /nfs/dbraw/zinc/91/47/22/822914722.db2.gz VKCGPBDZEZDAHL-NRFANRHFSA-N 1 0 397.567 4.312 20 0 GIADRO Cc1c(Cl)cncc1C(=O)Nc1ccccc1N1CCC(C[NH+](C)C)CC1 ZINC000457755830 822915386 /nfs/dbraw/zinc/91/53/86/822915386.db2.gz CJSGOMDGCIYPHF-UHFFFAOYSA-N 1 0 386.927 4.074 20 0 GIADRO COc1ccc([C@@H](C[NH2+]CC2CCC(C(F)(F)F)CC2)N(C)C)cc1OC ZINC000186578261 822916663 /nfs/dbraw/zinc/91/66/63/822916663.db2.gz VJWHTTQPBQJQET-BDVYOWHSSA-N 1 0 388.474 4.265 20 0 GIADRO CCN(CC)[C@H](C[NH2+]Cc1cncc(Br)c1)c1cccc(OC)c1 ZINC000186581675 822916966 /nfs/dbraw/zinc/91/69/66/822916966.db2.gz NPFICWPOHHFLGQ-LJQANCHMSA-N 1 0 392.341 4.025 20 0 GIADRO CSCC[C@@H]([NH2+]CC1CCC(C(F)(F)F)CC1)c1nnc2ccccn21 ZINC000186581446 822917087 /nfs/dbraw/zinc/91/70/87/822917087.db2.gz RHUXQJBYWCKDHR-YMAMQOFZSA-N 1 0 386.487 4.482 20 0 GIADRO Cc1nc(-c2ccc([C@@H](C)NC(=O)N3CC[C@]4(C3)CCC[N@H+](C)C4)cc2)cs1 ZINC000457772730 822917511 /nfs/dbraw/zinc/91/75/11/822917511.db2.gz JXUKNZKAHFXQKG-OPAMFIHVSA-N 1 0 398.576 4.307 20 0 GIADRO Cc1nc(-c2ccc([C@@H](C)NC(=O)N3CC[N@@H+](C4CC4)C[C@H](C)C3)cc2)cs1 ZINC000457775648 822918024 /nfs/dbraw/zinc/91/80/24/822918024.db2.gz NYECYFMQWDADFP-JKSUJKDBSA-N 1 0 398.576 4.305 20 0 GIADRO CC(C)c1cccc(CC(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)c1 ZINC000457787879 822919561 /nfs/dbraw/zinc/91/95/61/822919561.db2.gz NZHZFTRFWOHQMF-UHFFFAOYSA-N 1 0 380.532 4.142 20 0 GIADRO C[C@H]([NH2+][C@@H](Cc1ccc(F)cc1)[C@@H]1COc2ccccc2O1)c1cscn1 ZINC000569417170 822919954 /nfs/dbraw/zinc/91/99/54/822919954.db2.gz TZURSKJYVFZXCU-LFRPXUGBSA-N 1 0 384.476 4.384 20 0 GIADRO CCOc1c(F)cccc1C(=O)N(CC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000175268866 822920055 /nfs/dbraw/zinc/92/00/55/822920055.db2.gz KDIJJYDDEUYVSL-LJQANCHMSA-N 1 0 384.495 4.209 20 0 GIADRO CC[C@H](CC(F)F)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000457802467 822920645 /nfs/dbraw/zinc/92/06/45/822920645.db2.gz XHMMZCOCNIVIJY-HLAWJBBLSA-N 1 0 386.486 4.452 20 0 GIADRO CCOc1c(Cl)cc(C[NH2+]CCC(=O)Nc2cc(F)cc(F)c2)cc1OC ZINC000569422329 822920803 /nfs/dbraw/zinc/92/08/03/822920803.db2.gz DIMWRTQYHXKXIB-UHFFFAOYSA-N 1 0 398.837 4.144 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc2nc(C)ccc2o1 ZINC000175271788 822920850 /nfs/dbraw/zinc/92/08/50/822920850.db2.gz CFWRZUIPKONTBH-IBGZPJMESA-N 1 0 377.488 4.120 20 0 GIADRO Cc1ccc2c(CC(=O)N(Cc3ccccn3)[C@@H]3CCC[NH2+]CC3)coc2c1C ZINC000186598522 822920934 /nfs/dbraw/zinc/92/09/34/822920934.db2.gz OKTYDTBCLGAHQJ-OAQYLSRUSA-N 1 0 391.515 4.158 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(Cl)c(Cl)n1C ZINC000175274604 822921699 /nfs/dbraw/zinc/92/16/99/822921699.db2.gz CCFYJTPARLBDDK-MRXNPFEDSA-N 1 0 394.346 4.316 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCc1ccc(OC)c(F)c1 ZINC000175274779 822921741 /nfs/dbraw/zinc/92/17/41/822921741.db2.gz GDDWBMFEVBHCQX-OAQYLSRUSA-N 1 0 398.522 4.138 20 0 GIADRO CCCC(=O)Nc1cccc(NC(=O)NC2CC[NH+](C3CCCC3)CC2)c1C ZINC000175275103 822921941 /nfs/dbraw/zinc/92/19/41/822921941.db2.gz MAWDNYYMJKNNKE-UHFFFAOYSA-N 1 0 386.540 4.262 20 0 GIADRO O=C(c1ccc(Cl)cc1Cl)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000186603879 822922321 /nfs/dbraw/zinc/92/23/21/822922321.db2.gz FPJQUNMZPHVVQN-INIZCTEOSA-N 1 0 378.303 4.173 20 0 GIADRO CC(C)CC(=O)Nc1cccc(C[NH2+]Cc2cncc(Br)c2)c1 ZINC000186606748 822922774 /nfs/dbraw/zinc/92/27/74/822922774.db2.gz HNBKPHSPQKKXLI-UHFFFAOYSA-N 1 0 376.298 4.119 20 0 GIADRO S=C(Nc1ccc2ccccc2c1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000054941344 822923409 /nfs/dbraw/zinc/92/34/09/822923409.db2.gz AWLAOEVFQARIEH-UHFFFAOYSA-N 1 0 376.529 4.186 20 0 GIADRO O=C(c1ccc(SC(F)F)cc1)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000186613734 822923936 /nfs/dbraw/zinc/92/39/36/822923936.db2.gz WMRFZCDWVYTGDH-KRWDZBQOSA-N 1 0 391.487 4.181 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cc1sc(=S)[nH]c1C ZINC000175284068 822924147 /nfs/dbraw/zinc/92/41/47/822924147.db2.gz GRWTTXNJQXUXAY-KRWDZBQOSA-N 1 0 389.590 4.027 20 0 GIADRO O=C(CC[N@@H+]1CC[C@]2(C1)OCc1ccccc12)Nc1cc(Cl)ccc1Cl ZINC000186617320 822924167 /nfs/dbraw/zinc/92/41/67/822924167.db2.gz HEAYVRCXMHYMMA-HXUWFJFHSA-N 1 0 391.298 4.453 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1sccc1OC(F)F ZINC000175284930 822924343 /nfs/dbraw/zinc/92/43/43/822924343.db2.gz WBEHUGOSYPIXSW-INIZCTEOSA-N 1 0 394.487 4.334 20 0 GIADRO Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)s1 ZINC000054949729 822924503 /nfs/dbraw/zinc/92/45/03/822924503.db2.gz QFQSBJJTOLRQKZ-QGZVFWFLSA-N 1 0 399.560 4.104 20 0 GIADRO O=C([C@@H]1CCC[N@H+](Cc2cccnc2)C1)N1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000569449127 822924859 /nfs/dbraw/zinc/92/48/59/822924859.db2.gz WBNWZOSIADXMJO-DHIUTWEWSA-N 1 0 389.543 4.090 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(-c2ccccc2)n[nH]1 ZINC000175288523 822925353 /nfs/dbraw/zinc/92/53/53/822925353.db2.gz LWZBXYJWDCLRGN-FQEVSTJZSA-N 1 0 388.515 4.061 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)NCc1ccc(COc2ccccc2)cc1 ZINC000457855921 822925693 /nfs/dbraw/zinc/92/56/93/822925693.db2.gz VEFVXQHCJUNMJS-UHFFFAOYSA-N 1 0 383.536 4.185 20 0 GIADRO Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H](c2cnn(C)c2)c2ccc(F)cc2)c(C)c1 ZINC000186627071 822925776 /nfs/dbraw/zinc/92/57/76/822925776.db2.gz ZKQWZHMYDWKLCT-HXOBKFHXSA-N 1 0 394.494 4.272 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000175290476 822925843 /nfs/dbraw/zinc/92/58/43/822925843.db2.gz PPQXMJJCVCLAHK-HMXCVIKNSA-N 1 0 398.497 4.439 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)NCc1ccccc1OCc1ccccc1 ZINC000457858966 822925975 /nfs/dbraw/zinc/92/59/75/822925975.db2.gz WCANCJKYQLWOET-UHFFFAOYSA-N 1 0 383.536 4.185 20 0 GIADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)N(Cc1cccs1)c1ccc(F)cc1 ZINC000054970499 822926305 /nfs/dbraw/zinc/92/63/05/822926305.db2.gz ZBGUFNLSOZPMHR-QGZVFWFLSA-N 1 0 377.554 4.253 20 0 GIADRO COc1ccccc1[C@@H](CNC(=S)Nc1ccccc1F)[NH+]1CCCCC1 ZINC000054971321 822926691 /nfs/dbraw/zinc/92/66/91/822926691.db2.gz PDNLUKLBZXMONX-LJQANCHMSA-N 1 0 387.524 4.348 20 0 GIADRO CC[C@@H](NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccncc1 ZINC000175293589 822926885 /nfs/dbraw/zinc/92/68/85/822926885.db2.gz UPNIWXQLHOPTSQ-BVYCBKJFSA-N 1 0 380.536 4.227 20 0 GIADRO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000569477219 822927996 /nfs/dbraw/zinc/92/79/96/822927996.db2.gz ZBDAXVPMQOAJKU-FGTMMUONSA-N 1 0 394.494 4.236 20 0 GIADRO O=C(NCCC[C@@H]1CCCCO1)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000186648484 822929335 /nfs/dbraw/zinc/92/93/35/822929335.db2.gz QEQMYLYZXDBDLH-VABKMULXSA-N 1 0 399.579 4.032 20 0 GIADRO Cc1cc(C)c(NC(=O)CCC[N@@H+]2CC[C@]3(C2)OCc2ccccc23)c(C)c1 ZINC000186650645 822929671 /nfs/dbraw/zinc/92/96/71/822929671.db2.gz HDLXUXIMBNGQFU-XMMPIXPASA-N 1 0 378.516 4.462 20 0 GIADRO O=C(c1ccc(Cl)s1)C(C(=S)NCc1cccs1)[n+]1ccccc1 ZINC000055027371 822932320 /nfs/dbraw/zinc/93/23/20/822932320.db2.gz PTLMTJIJPNDOGD-UHFFFAOYSA-O 1 0 393.966 4.479 20 0 GIADRO CC[N@@H+]1CC[C@@H](CNC(=O)Cc2c(C)nc3ccccc3c2-c2ccccc2)C1 ZINC000175317446 822933285 /nfs/dbraw/zinc/93/32/85/822933285.db2.gz ZMZHBXSEGZCVSH-IBGZPJMESA-N 1 0 387.527 4.211 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000457921284 822936171 /nfs/dbraw/zinc/93/61/71/822936171.db2.gz BXGUNVXFOZJGTJ-WBVHZDCISA-N 1 0 398.576 4.305 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccc3c(c2)COC(C)(C)O3)C1)C(=O)OC(C)(C)C ZINC000186688498 822937715 /nfs/dbraw/zinc/93/77/15/822937715.db2.gz NTWFBQOGSCDSHP-KRWDZBQOSA-N 1 0 390.524 4.021 20 0 GIADRO Cc1nc(C[N@@H+](C[C@@H](C)O)[C@H](C)Cc2ccc(Cl)cc2)nc2ccccc12 ZINC000569550609 822938911 /nfs/dbraw/zinc/93/89/11/822938911.db2.gz GTFHWUSNUVGXGF-HZPDHXFCSA-N 1 0 383.923 4.406 20 0 GIADRO C[C@H](NC(=O)N(C)CCC[NH3+])c1ccc(-c2ccc(C(F)(F)F)cc2)s1 ZINC000569559287 822939704 /nfs/dbraw/zinc/93/97/04/822939704.db2.gz UQOPJWZSLLGSEL-LBPRGKRZSA-N 1 0 385.455 4.485 20 0 GIADRO C[C@@H](NC(=O)N(C)CCC[NH3+])c1ccc(-c2ccc(C(F)(F)F)cc2)s1 ZINC000569559283 822939726 /nfs/dbraw/zinc/93/97/26/822939726.db2.gz UQOPJWZSLLGSEL-GFCCVEGCSA-N 1 0 385.455 4.485 20 0 GIADRO CCOC(=O)C[C@](C)([NH2+]Cc1csc(-c2ccccc2OC)n1)C(C)C ZINC000186699373 822940166 /nfs/dbraw/zinc/94/01/66/822940166.db2.gz BQZSKNXNSCVQAB-FQEVSTJZSA-N 1 0 376.522 4.276 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc2c(c1)CCC2=O ZINC000569561719 822940195 /nfs/dbraw/zinc/94/01/95/822940195.db2.gz BSVVJAWBOPLBKR-IBGZPJMESA-N 1 0 391.515 4.191 20 0 GIADRO CC(=O)Nc1ccc(C[NH2+][C@@H](C)Cc2ccc(F)cc2Br)cc1 ZINC000569562971 822940481 /nfs/dbraw/zinc/94/04/81/822940481.db2.gz RKKGGACYRTUDET-LBPRGKRZSA-N 1 0 379.273 4.267 20 0 GIADRO O=C(Nc1ccc(OCC(F)(F)F)cc1)c1ccccc1CC1CC[NH2+]CC1 ZINC000569576742 822941826 /nfs/dbraw/zinc/94/18/26/822941826.db2.gz GXQIAAMRDAVGLG-UHFFFAOYSA-N 1 0 392.421 4.422 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)c3cc(Br)co3)C2)s1 ZINC000569583224 822942166 /nfs/dbraw/zinc/94/21/66/822942166.db2.gz LLRUHBZQCPCRSU-ZDUSSCGKSA-N 1 0 397.338 4.006 20 0 GIADRO Fc1ccc(C[NH2+]Cc2ccc(Cn3cncn3)cc2)cc1-c1cccs1 ZINC000055171036 822943187 /nfs/dbraw/zinc/94/31/87/822943187.db2.gz LGHKGDIHSQCGSC-UHFFFAOYSA-N 1 0 378.476 4.484 20 0 GIADRO COC[C@@H](NC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1)c1ccco1 ZINC000175358432 822945007 /nfs/dbraw/zinc/94/50/07/822945007.db2.gz XUKQDWWDSNCXBF-OAQYLSRUSA-N 1 0 399.535 4.231 20 0 GIADRO CC(C)[NH+]1CCN(c2ccc(C(=O)N(CCC(F)(F)F)CC3CC3)cc2)CC1 ZINC000175358676 822945313 /nfs/dbraw/zinc/94/53/13/822945313.db2.gz CQSOKSZWWZSOHD-UHFFFAOYSA-N 1 0 397.485 4.022 20 0 GIADRO C[C@H](C[NH2+][C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1)c1nccs1 ZINC000186730753 822946448 /nfs/dbraw/zinc/94/64/48/822946448.db2.gz FHNBYFJMNMTMBR-HUUCEWRRSA-N 1 0 378.563 4.314 20 0 GIADRO O=C(NCc1ccc2c[nH+]cn2c1)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)F)(C3)C2 ZINC000457981517 822947206 /nfs/dbraw/zinc/94/72/06/822947206.db2.gz WYXMXKNPXBJCEJ-MYMYQCDVSA-N 1 0 377.410 4.099 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCCCC1)c1cccc2c1CC(=O)CC2 ZINC000569632098 822947568 /nfs/dbraw/zinc/94/75/68/822947568.db2.gz PRCSDNIUWKSJQK-UHFFFAOYSA-N 1 0 390.527 4.050 20 0 GIADRO Cc1cc(NC(=O)C[NH2+]Cc2ccc(Cl)c(F)c2)ccc1Br ZINC000569638693 822948548 /nfs/dbraw/zinc/94/85/48/822948548.db2.gz UVCIPBBRUSAIMM-UHFFFAOYSA-N 1 0 385.664 4.278 20 0 GIADRO COc1ccc2cc(C[NH2+][C@@H]3CCCN(C(=O)CCC(F)(F)F)C3)ccc2c1 ZINC000569644524 822949336 /nfs/dbraw/zinc/94/93/36/822949336.db2.gz AXOASFAPJYTGDB-GOSISDBHSA-N 1 0 394.437 4.272 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)Nc2cccc(OCc3cccc(F)c3)c2)CC[N@@H+]1C ZINC000175377840 822951654 /nfs/dbraw/zinc/95/16/54/822951654.db2.gz VJYUOBDYNUOUJF-OXJNMPFZSA-N 1 0 385.483 4.351 20 0 GIADRO CCc1nc(CC(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)cs1 ZINC000055320446 822951922 /nfs/dbraw/zinc/95/19/22/822951922.db2.gz WGQAQFWYYOEWFA-UHFFFAOYSA-N 1 0 385.577 4.329 20 0 GIADRO C[C@H](NC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)[C@@H](C)C1CCCCC1 ZINC000175381088 822952729 /nfs/dbraw/zinc/95/27/29/822952729.db2.gz DPDXHLYQEGFXBH-MSOLQXFVSA-N 1 0 375.557 4.490 20 0 GIADRO COc1cc(C[N@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)ccc1OC(F)F ZINC000175388406 822955381 /nfs/dbraw/zinc/95/53/81/822955381.db2.gz WXTBALIYOSCEQX-SRGMZFCMSA-N 1 0 383.460 4.227 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)OCO2)C(=O)Nc1cccc(Cl)c1Cl ZINC000055374766 822955576 /nfs/dbraw/zinc/95/55/76/822955576.db2.gz GAVGFSRMGQWHNG-QWRGUYRKSA-N 1 0 381.259 4.400 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)Nc2ccc(Oc3cccc(C(F)(F)F)n3)cc2)CC[NH2+]1 ZINC000569691359 822955804 /nfs/dbraw/zinc/95/58/04/822955804.db2.gz GONVMYHRWPUZNW-TZMCWYRMSA-N 1 0 394.397 4.155 20 0 GIADRO C[C@@H](C(=O)N(Cc1csc(Br)c1)C1CC1)[C@H]([NH3+])c1ccccc1 ZINC000569697506 822956326 /nfs/dbraw/zinc/95/63/26/822956326.db2.gz QFZZUWDVARLCDN-PXAZEXFGSA-N 1 0 393.350 4.338 20 0 GIADRO CN(CC[N@H+](C)C1CC1)C(=O)c1ccc(COc2ccc3ccccc3c2)o1 ZINC000186796755 822956943 /nfs/dbraw/zinc/95/69/43/822956943.db2.gz PORKXOLQUTYVCJ-UHFFFAOYSA-N 1 0 378.472 4.178 20 0 GIADRO CC(C)c1ccc(-c2noc(CCC(=O)N[C@H](C)C[N@@H+]3CCC[C@H](C)C3)n2)cc1 ZINC000055404438 822958077 /nfs/dbraw/zinc/95/80/77/822958077.db2.gz YSAXQEPDAQVUPB-ZWKOTPCHSA-N 1 0 398.551 4.029 20 0 GIADRO CCOc1cc(C(=O)Nc2cccc(OCCC[NH+](C)C)c2)cc(Cl)c1O ZINC000186806827 822958655 /nfs/dbraw/zinc/95/86/55/822958655.db2.gz XRDLCIIZGLDSLH-UHFFFAOYSA-N 1 0 392.883 4.027 20 0 GIADRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)NC1CCC(C(F)F)CC1 ZINC000458113380 822959279 /nfs/dbraw/zinc/95/92/79/822959279.db2.gz SSCYNPMUOOPIOD-QQFBHYJXSA-N 1 0 385.524 4.083 20 0 GIADRO Cc1csc([C@H](NC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)C2CC2)n1 ZINC000175399607 822959460 /nfs/dbraw/zinc/95/94/60/822959460.db2.gz NOPPBYNZKLPRMZ-LJQANCHMSA-N 1 0 386.565 4.242 20 0 GIADRO CCOc1ccc(NC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1F ZINC000175402721 822960272 /nfs/dbraw/zinc/96/02/72/822960272.db2.gz QIZJAVPLJDTJGC-IRXDYDNUSA-N 1 0 377.504 4.343 20 0 GIADRO COc1cc(C[NH2+]CCc2c[nH]c3ccccc23)cc(OC)c1OCC(F)F ZINC000569732465 822960351 /nfs/dbraw/zinc/96/03/51/822960351.db2.gz KWIOPGIMGIHISC-UHFFFAOYSA-N 1 0 390.430 4.161 20 0 GIADRO C[C@@H](NC(=O)[C@@H](C)[N@@H+]1CCSC2(CCOCC2)C1)c1cccc2ccccc21 ZINC000186819088 822960801 /nfs/dbraw/zinc/96/08/01/822960801.db2.gz JRDRYHURKYVLKY-QZTJIDSGSA-N 1 0 398.572 4.004 20 0 GIADRO CCCC(=O)Nc1cccc(C[NH2+]Cc2cc(Cl)c(O)c(OCC)c2)c1 ZINC000569735380 822960844 /nfs/dbraw/zinc/96/08/44/822960844.db2.gz VXAGAOLLKJAHEO-UHFFFAOYSA-N 1 0 376.884 4.473 20 0 GIADRO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000175406701 822960995 /nfs/dbraw/zinc/96/09/95/822960995.db2.gz CIIOFVTWRVMPOD-VCCADOKLSA-N 1 0 394.581 4.064 20 0 GIADRO Cc1oc(-c2ccccc2)c(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)c1C ZINC000186826975 822962547 /nfs/dbraw/zinc/96/25/47/822962547.db2.gz PXTPOHUMYVOYOT-UHFFFAOYSA-N 1 0 396.531 4.328 20 0 GIADRO COc1cc(C)c(NC(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)cc1F ZINC000186833849 822963945 /nfs/dbraw/zinc/96/39/45/822963945.db2.gz ABYPGSQFGVLEGK-QGZVFWFLSA-N 1 0 385.483 4.271 20 0 GIADRO O=S(=O)(NC1CC[NH+](C2CCCCC2)CC1)c1c(Cl)cccc1Cl ZINC000175417891 822963994 /nfs/dbraw/zinc/96/39/94/822963994.db2.gz BYDJPDSVYOCXHK-UHFFFAOYSA-N 1 0 391.364 4.069 20 0 GIADRO O=C(N[C@H]1CCCc2cn(C3CCCC3)nc21)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000569755002 822964049 /nfs/dbraw/zinc/96/40/49/822964049.db2.gz AFVNHBABYMAILO-SFTDATJTSA-N 1 0 399.583 4.036 20 0 GIADRO Cc1cc(NC(=O)CCc2ncc(-c3ccccc3)o2)ccc1OCC[NH+](C)C ZINC000458194310 822967400 /nfs/dbraw/zinc/96/74/00/822967400.db2.gz JZKDKCDOAFTZPW-UHFFFAOYSA-N 1 0 393.487 4.162 20 0 GIADRO O=C(c1ccccc1)C1CC[NH+](C[C@@H](O)CO[C@H]2CCCc3ccccc32)CC1 ZINC000055471815 822967804 /nfs/dbraw/zinc/96/78/04/822967804.db2.gz FWTBVCDIUMLNLK-VWNXMTODSA-N 1 0 393.527 4.036 20 0 GIADRO O=C(CCC(F)(F)F)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000458208336 822968882 /nfs/dbraw/zinc/96/88/82/822968882.db2.gz WGRWZQHNQZWTPJ-RBUKOAKNSA-N 1 0 394.412 4.252 20 0 GIADRO COc1ccccc1Oc1ccc(NC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000569790996 822969632 /nfs/dbraw/zinc/96/96/32/822969632.db2.gz NMVSNQJIOXFJNO-QFIPXVFZSA-N 1 0 381.476 4.095 20 0 GIADRO Cc1cc(NC(=O)[C@H](C)Cc2cncc3ccccc32)ccc1OCC[NH+](C)C ZINC000458222818 822970625 /nfs/dbraw/zinc/97/06/25/822970625.db2.gz VTXFTRPZQYLNLH-GOSISDBHSA-N 1 0 391.515 4.301 20 0 GIADRO COc1ccccc1-c1ccc([C@H](C)[NH2+]CCCCCS(C)(=O)=O)cc1 ZINC000186864183 822970669 /nfs/dbraw/zinc/97/06/69/822970669.db2.gz CJWFRKZIROKLFS-KRWDZBQOSA-N 1 0 375.534 4.228 20 0 GIADRO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000458235281 822972119 /nfs/dbraw/zinc/97/21/19/822972119.db2.gz YAGBSJMLZWDSAL-CQSZACIVSA-N 1 0 395.425 4.131 20 0 GIADRO O=C(C[NH2+][C@H]1CCSc2c(Cl)cccc21)N[C@H]1CCOc2ccccc21 ZINC000569816953 822972372 /nfs/dbraw/zinc/97/23/72/822972372.db2.gz DUIZFYXIPIGEQR-IRXDYDNUSA-N 1 0 388.920 4.107 20 0 GIADRO O=C(c1coc(C2CCCC2)n1)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000569819180 822972551 /nfs/dbraw/zinc/97/25/51/822972551.db2.gz SVIVWJFWFJCPPA-QHCPKHFHSA-N 1 0 379.504 4.070 20 0 GIADRO Cc1nccn1CCCCNC(=O)N(Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000175464518 822975442 /nfs/dbraw/zinc/97/54/42/822975442.db2.gz DUVQIIRFBCDZKB-UHFFFAOYSA-N 1 0 396.535 4.061 20 0 GIADRO COc1cc(C[NH2+][C@H](C)[C@H]2COc3ccccc32)cc(OC)c1OCC(F)F ZINC000569847082 822975657 /nfs/dbraw/zinc/97/56/57/822975657.db2.gz WTJQQVJQWJCORZ-CZUORRHYSA-N 1 0 393.430 4.002 20 0 GIADRO COc1ccc(Br)c(CC(=O)Nc2ccc(C[NH+](C)C)c(C)c2)c1 ZINC000458266187 822975748 /nfs/dbraw/zinc/97/57/48/822975748.db2.gz DUVIMYNWNLBSSO-UHFFFAOYSA-N 1 0 391.309 4.009 20 0 GIADRO CSc1nc(C(C)(C)C)nc(C)c1C(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000458279608 822977424 /nfs/dbraw/zinc/97/74/24/822977424.db2.gz JYUPUUXHVKVSRF-UHFFFAOYSA-N 1 0 386.565 4.427 20 0 GIADRO Cc1ncsc1/C=C/C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000186905072 822977525 /nfs/dbraw/zinc/97/75/25/822977525.db2.gz QWZXTCFTAVAREB-WQYQBZSFSA-N 1 0 393.915 4.066 20 0 GIADRO COCCSc1ccc([C@H](C)NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000569863310 822977642 /nfs/dbraw/zinc/97/76/42/822977642.db2.gz GDWNCJHSPABGCU-GHTZIAJQSA-N 1 0 398.572 4.124 20 0 GIADRO CCSCc1ccccc1C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000458287480 822978668 /nfs/dbraw/zinc/97/86/68/822978668.db2.gz KXZSTZJQEQLJKC-UHFFFAOYSA-N 1 0 376.497 4.272 20 0 GIADRO C[C@H]([NH2+]C[C@@H](c1ccco1)N1CCCC1)c1ncc(Br)cc1F ZINC000186914879 822979349 /nfs/dbraw/zinc/97/93/49/822979349.db2.gz GIGSFMDUCHXLHC-WFASDCNBSA-N 1 0 382.277 4.064 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCc1cccc(CSC)c1 ZINC000186923633 822980941 /nfs/dbraw/zinc/98/09/41/822980941.db2.gz DHGBOLNEBQPAHP-UHFFFAOYSA-N 1 0 385.577 4.343 20 0 GIADRO COc1cc(C[N@H+](CC2CCC2)[C@H](C)CO)ccc1OCc1cccs1 ZINC000569889603 822981203 /nfs/dbraw/zinc/98/12/03/822981203.db2.gz WCTIQNCBKZCTIS-MRXNPFEDSA-N 1 0 375.534 4.319 20 0 GIADRO CC[C@@H](NC(=O)NC[C@@H](c1ccc(SC)cc1)[NH+](C)C)c1nc(C)cs1 ZINC000458308492 822981532 /nfs/dbraw/zinc/98/15/32/822981532.db2.gz IJRFMAMIEJYYKM-SJORKVTESA-N 1 0 392.594 4.227 20 0 GIADRO CC(C)Sc1ccc([C@H](C)NC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000458331154 822984090 /nfs/dbraw/zinc/98/40/90/822984090.db2.gz ZMMGYLKTBTZFFR-UWJYYQICSA-N 1 0 375.582 4.375 20 0 GIADRO COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000569909105 822984599 /nfs/dbraw/zinc/98/45/99/822984599.db2.gz NVQJWIMZSHXGTP-DOTOQJQBSA-N 1 0 399.466 4.151 20 0 GIADRO C[C@H]1C[C@H](Nc2ccc(F)c(N3CCCNC3=O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000569916508 822985538 /nfs/dbraw/zinc/98/55/38/822985538.db2.gz MDVNNQXBYHPJIY-FXAWDEMLSA-N 1 0 396.510 4.210 20 0 GIADRO CC[C@@H](CNC(=O)C1CC[NH+](C(C)C)CC1)Oc1ccccc1C(F)(F)F ZINC000175509412 822986776 /nfs/dbraw/zinc/98/67/76/822986776.db2.gz FTSILWDYMYCWMW-INIZCTEOSA-N 1 0 386.458 4.099 20 0 GIADRO Cc1cccc([C@@H](C)NC(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)c1 ZINC000458364185 822987277 /nfs/dbraw/zinc/98/72/77/822987277.db2.gz DQKAZQNMWONPAO-UXHICEINSA-N 1 0 395.547 4.255 20 0 GIADRO C[C@H]1C[C@@H]([N@H+](C)Cc2ccc3c(c2)CCC(=O)N3C)CCN1Cc1ccccc1 ZINC000186961737 822987886 /nfs/dbraw/zinc/98/78/86/822987886.db2.gz ZYFMEYLYFTUYDT-CVDCTZTESA-N 1 0 391.559 4.081 20 0 GIADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1cc(Cl)c(Cl)n1C ZINC000175513896 822988284 /nfs/dbraw/zinc/98/82/84/822988284.db2.gz BWJPXQSZDKVNTR-UHFFFAOYSA-N 1 0 388.261 4.068 20 0 GIADRO C[C@@H]1C[N@@H+](CC2CCN(C(=O)Nc3cccc(C(C)(F)F)c3)CC2)C[C@H](C)O1 ZINC000186969250 822989375 /nfs/dbraw/zinc/98/93/75/822989375.db2.gz MSMVINBRMUWFJA-IYBDPMFKSA-N 1 0 395.494 4.151 20 0 GIADRO CCc1nc(C)c([C@H](C)N(C)C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)s1 ZINC000175525813 822990788 /nfs/dbraw/zinc/99/07/88/822990788.db2.gz UXPKNMMNGLOZHN-RDJZCZTQSA-N 1 0 380.602 4.371 20 0 GIADRO CSc1ccc(C[NH2+][C@@H]2CCCN([C@H](C)c3ccccc3F)C2=O)s1 ZINC000569990822 822993993 /nfs/dbraw/zinc/99/39/93/822993993.db2.gz GKAVDQZVOJUBBZ-CXAGYDPISA-N 1 0 378.538 4.451 20 0 GIADRO Cc1ccccc1-n1cc(CNCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)nn1 ZINC000570003123 822995289 /nfs/dbraw/zinc/99/52/89/822995289.db2.gz MUROJDLNEPJVFF-LJQANCHMSA-N 1 0 389.547 4.097 20 0 GIADRO CSC1(CNC(=O)C[C@H](C)c2cccc(C(F)(F)F)c2)CC[NH+](C)CC1 ZINC000570014423 822996937 /nfs/dbraw/zinc/99/69/37/822996937.db2.gz LVZUHVJMPCOBTA-AWEZNQCLSA-N 1 0 388.499 4.143 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)N[C@H]1Cc2cccc(O)c2C1)C1CCCCC1 ZINC000570025469 822998622 /nfs/dbraw/zinc/99/86/22/822998622.db2.gz INBINEPOEDTACR-IBGZPJMESA-N 1 0 393.531 4.446 20 0 GIADRO CCOCCC[N@@H+]1CC[C@H](NCc2ncc(-c3ccc(Cl)cc3)o2)[C@H](C)C1 ZINC000187026155 822999976 /nfs/dbraw/zinc/99/99/76/822999976.db2.gz VWFNZMOSNCEBMG-APWZRJJASA-N 1 0 391.943 4.222 20 0 GIADRO CCC[NH+]1CCN(c2ccc(NC(=O)c3scnc3Cl)cc2Cl)CC1 ZINC000055695747 823000059 /nfs/dbraw/zinc/00/00/59/823000059.db2.gz KVARDAIYFYEAHG-UHFFFAOYSA-N 1 0 399.347 4.234 20 0 GIADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000175574231 823000453 /nfs/dbraw/zinc/00/04/53/823000453.db2.gz VAZHQXZDNOSPGQ-RBUKOAKNSA-N 1 0 391.581 4.018 20 0 GIADRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cc2cccc(Cl)c2s1 ZINC000570046296 823000518 /nfs/dbraw/zinc/00/05/18/823000518.db2.gz DOXKSXMPRFOXAO-DLBZAZTESA-N 1 0 392.952 4.052 20 0 GIADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1 ZINC000187029664 823000575 /nfs/dbraw/zinc/00/05/75/823000575.db2.gz PATZICWTVQSECK-AWEZNQCLSA-N 1 0 396.409 4.259 20 0 GIADRO COc1ccc([C@H](NC(=O)N(C)CC2([NH+](C)C)CCC2)c2ccc(F)cc2)cc1 ZINC000187036749 823001985 /nfs/dbraw/zinc/00/19/85/823001985.db2.gz HBDAHVHHJNJUQY-OAQYLSRUSA-N 1 0 399.510 4.049 20 0 GIADRO COc1ccc([C@@H](C)CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000175588182 823002960 /nfs/dbraw/zinc/00/29/60/823002960.db2.gz DRCUVXBSTPUSEJ-IBGZPJMESA-N 1 0 380.532 4.278 20 0 GIADRO Cc1ccc([C@H]([NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)C2CCC2)cc1 ZINC000187047048 823003468 /nfs/dbraw/zinc/00/34/68/823003468.db2.gz XZCUKVLTJMJOQB-VGOFRKELSA-N 1 0 386.561 4.437 20 0 GIADRO CCC(CC)[C@H](CNC(=O)Nc1ccc(-c2nc(C3CC3)no2)cc1C)[NH+](C)C ZINC000570077760 823003971 /nfs/dbraw/zinc/00/39/71/823003971.db2.gz CIUOQHKCHMUGPP-IBGZPJMESA-N 1 0 399.539 4.410 20 0 GIADRO C[C@H](COc1ccc(F)cc1F)[NH2+][C@@H](C)c1ncc(Br)cc1F ZINC000187055325 823004474 /nfs/dbraw/zinc/00/44/74/823004474.db2.gz ZUWJLCZEFZCCNU-ZJUUUORDSA-N 1 0 389.215 4.380 20 0 GIADRO COc1cc(F)c(F)cc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000570090717 823004865 /nfs/dbraw/zinc/00/48/65/823004865.db2.gz WYGARHMSAPQOSU-RDTXWAMCSA-N 1 0 389.446 4.006 20 0 GIADRO Cc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C(F)(F)F)c(F)c1 ZINC000175602214 823004924 /nfs/dbraw/zinc/00/49/24/823004924.db2.gz FXFOVRBUIOVMNH-UHFFFAOYSA-N 1 0 395.400 4.157 20 0 GIADRO CN(C(=O)c1nc2ccccc2cc1Cl)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000570092629 823005076 /nfs/dbraw/zinc/00/50/76/823005076.db2.gz VUJYNYILYSEBBJ-SFHVURJKSA-N 1 0 379.891 4.235 20 0 GIADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)c2ccc3nc(C)sc3c2)c1 ZINC000570102599 823005985 /nfs/dbraw/zinc/00/59/85/823005985.db2.gz YOSLTDLVALBRPE-UHFFFAOYSA-N 1 0 396.516 4.137 20 0 GIADRO FC(F)O[C@H]1CC[N@H+](Cc2cnc(-c3ccc(Br)cc3)s2)C1 ZINC000570109997 823006368 /nfs/dbraw/zinc/00/63/68/823006368.db2.gz OITSPBMUPYTTHF-LBPRGKRZSA-N 1 0 389.265 4.386 20 0 GIADRO CC(C)(C)[C@@H]1C[C@H]([NH2+]CCCS(=O)(=O)c2ccc(Cl)cc2)CS1 ZINC000570113459 823006853 /nfs/dbraw/zinc/00/68/53/823006853.db2.gz NKVGENCEJIHDDW-HOCLYGCPSA-N 1 0 375.987 4.014 20 0 GIADRO Cc1ccc(CNC(=O)C2CC[NH+](Cc3ccc4nc(C)ccc4c3)CC2)cc1 ZINC000187080122 823007882 /nfs/dbraw/zinc/00/78/82/823007882.db2.gz CBEOJSBWMPBSTG-UHFFFAOYSA-N 1 0 387.527 4.380 20 0 GIADRO CCCC[C@H]([NH2+]CCS(=O)(=O)c1ccc(F)cc1)c1ccc(OC)cc1 ZINC000570128615 823008425 /nfs/dbraw/zinc/00/84/25/823008425.db2.gz KFJDNSOONKSCRY-FQEVSTJZSA-N 1 0 379.497 4.129 20 0 GIADRO C[C@H]([NH2+]C[C@@H]1CC2c3ccccc3C1c1ccccc12)C1CCS(=O)(=O)CC1 ZINC000187083746 823008401 /nfs/dbraw/zinc/00/84/01/823008401.db2.gz QHCKDQXUUQJGDP-TZWLIBGHSA-N 1 0 395.568 4.087 20 0 GIADRO COc1ccccc1[C@@H]1CC[C@H](C)C[N@@H+]1CCc1c(C)nc2ccccn2c1=O ZINC000570130566 823008636 /nfs/dbraw/zinc/00/86/36/823008636.db2.gz SESAQGOBKZMCET-UWJYYQICSA-N 1 0 391.515 4.027 20 0 GIADRO COc1ccccc1[C@H]1CC[C@H](C)C[N@@H+]1CCc1c(C)nc2ccccn2c1=O ZINC000570130562 823008639 /nfs/dbraw/zinc/00/86/39/823008639.db2.gz SESAQGOBKZMCET-LAUBAEHRSA-N 1 0 391.515 4.027 20 0 GIADRO CCNC(=O)c1cccc(C[NH2+][C@H](C)c2cc(Br)cc(C)c2O)c1 ZINC000187087932 823009000 /nfs/dbraw/zinc/00/90/00/823009000.db2.gz JBCLFNFUBOODGS-CYBMUJFWSA-N 1 0 391.309 4.064 20 0 GIADRO C[C@@H]([NH2+][C@@H](c1cccs1)c1ccc(Cl)cc1)C1CCS(=O)(=O)CC1 ZINC000187089537 823009199 /nfs/dbraw/zinc/00/91/99/823009199.db2.gz INOXSLPCVBFKRJ-FZKQIMNGSA-N 1 0 383.966 4.294 20 0 GIADRO COc1ccccc1[C@@H](CC(C)C)NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000175627087 823009180 /nfs/dbraw/zinc/00/91/80/823009180.db2.gz WZHJYPNLSNXTQX-TZIWHRDSSA-N 1 0 387.568 4.442 20 0 GIADRO COc1ccc(CN(C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1C ZINC000175631066 823009883 /nfs/dbraw/zinc/00/98/83/823009883.db2.gz BGZYPGRGGHYOSQ-DENIHFKCSA-N 1 0 395.547 4.198 20 0 GIADRO COc1ccc(C[C@H](C)C[NH2+]CCc2nccn2Cc2ccccc2)cc1F ZINC000187093649 823009922 /nfs/dbraw/zinc/00/99/22/823009922.db2.gz DNMBFPLCXPZRCG-SFHVURJKSA-N 1 0 381.495 4.090 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)cc1OCC ZINC000187097512 823010325 /nfs/dbraw/zinc/01/03/25/823010325.db2.gz OQHFUPNUWXFUSZ-INIZCTEOSA-N 1 0 382.504 4.244 20 0 GIADRO Cc1nc2cc(NC(=O)N[C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)ccc2o1 ZINC000175635101 823010398 /nfs/dbraw/zinc/01/03/98/823010398.db2.gz GWOTVZLYDZPIEE-BEFAXECRSA-N 1 0 378.476 4.311 20 0 GIADRO COc1cc(NC(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)ccc1F ZINC000187099472 823010472 /nfs/dbraw/zinc/01/04/72/823010472.db2.gz UWNXFHGJYTVASP-INIZCTEOSA-N 1 0 377.504 4.343 20 0 GIADRO C[C@@H](NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1cccc(OC(F)(F)F)c1 ZINC000175636151 823010724 /nfs/dbraw/zinc/01/07/24/823010724.db2.gz FEWIJDFJKPXPRQ-NVXWUHKLSA-N 1 0 399.457 4.306 20 0 GIADRO CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000175637705 823010824 /nfs/dbraw/zinc/01/08/24/823010824.db2.gz DNVZXFXJDQTESE-DENIHFKCSA-N 1 0 395.547 4.280 20 0 GIADRO C[C@H](CCNC(=O)N(C)Cc1nc2ccccc2s1)[N@H+](C)Cc1ccccc1 ZINC000175637791 823010866 /nfs/dbraw/zinc/01/08/66/823010866.db2.gz HSYDGWVBDADPAO-QGZVFWFLSA-N 1 0 396.560 4.348 20 0 GIADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CCCO[C@@H](C)c1ccccc1 ZINC000187103913 823010944 /nfs/dbraw/zinc/01/09/44/823010944.db2.gz MBBHBJPDDLYSQY-INIZCTEOSA-N 1 0 395.952 4.391 20 0 GIADRO O=S(=O)(Nc1cccc(C[NH+]2CCCCC2)c1)C1=Cc2ccccc2OCC1 ZINC000187102710 823010958 /nfs/dbraw/zinc/01/09/58/823010958.db2.gz XKRKYQBLMUOUBI-UHFFFAOYSA-N 1 0 398.528 4.238 20 0 GIADRO Cc1cc(Br)cc([C@H](C)[NH2+]C2CCN(C(=O)CC(C)C)CC2)c1O ZINC000187105127 823011102 /nfs/dbraw/zinc/01/11/02/823011102.db2.gz MDZGIIARRPAQEV-AWEZNQCLSA-N 1 0 397.357 4.151 20 0 GIADRO Cc1nc(-c2ccc(CC[NH2+]Cc3ccc4c(c3)CCC(=O)N4C)s2)cs1 ZINC000187105265 823011179 /nfs/dbraw/zinc/01/11/79/823011179.db2.gz WFDUCJMTQJXOQQ-UHFFFAOYSA-N 1 0 397.569 4.421 20 0 GIADRO COc1cc(CN(C)C(=O)C[C@@H]2CCCC[C@H]2[NH3+])ccc1OCc1ccccc1 ZINC000570158070 823011235 /nfs/dbraw/zinc/01/12/35/823011235.db2.gz MOJKEDLBBKBCDL-LEWJYISDSA-N 1 0 396.531 4.140 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2cnccc2C(F)(F)F)cc1 ZINC000570174421 823012470 /nfs/dbraw/zinc/01/24/70/823012470.db2.gz ZMSDUVIECNCCOV-HNNXBMFYSA-N 1 0 391.437 4.405 20 0 GIADRO C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000175654462 823013600 /nfs/dbraw/zinc/01/36/00/823013600.db2.gz DTXDHLBLRNYIOA-AOMKIAJQSA-N 1 0 399.510 4.348 20 0 GIADRO CN1C(=O)CCc2cc(C[NH2+]C[C@H](c3cccc(Cl)c3)N3CCCC3)ccc21 ZINC000187120677 823013774 /nfs/dbraw/zinc/01/37/74/823013774.db2.gz OCVSGRXBROLMFM-JOCHJYFZSA-N 1 0 397.950 4.176 20 0 GIADRO CCOC(=O)C(C)(C)C1CC[NH+](Cc2ccc(OC)cc2OC(F)F)CC1 ZINC000570204680 823014999 /nfs/dbraw/zinc/01/49/99/823014999.db2.gz UAYMIJKPFXWMKX-UHFFFAOYSA-N 1 0 385.451 4.098 20 0 GIADRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1cc(Oc2ccccc2)ccn1 ZINC000175661843 823015092 /nfs/dbraw/zinc/01/50/92/823015092.db2.gz RKCOEOOWEVHETL-UHFFFAOYSA-N 1 0 381.501 4.139 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)N[C@H](c2ccccc2)C2CC2)CC1 ZINC000175665140 823015718 /nfs/dbraw/zinc/01/57/18/823015718.db2.gz HAPAOQHQYTVFGJ-HSZRJFAPSA-N 1 0 377.532 4.444 20 0 GIADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCC1(c2ccc(Cl)cc2)CCCC1 ZINC000175669993 823016754 /nfs/dbraw/zinc/01/67/54/823016754.db2.gz NQKSSNSFQHJSEI-HXUWFJFHSA-N 1 0 392.971 4.061 20 0 GIADRO COc1ccc([C@@H](C)CC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000175677095 823018288 /nfs/dbraw/zinc/01/82/88/823018288.db2.gz RZSSMQLXZUNOCS-KRWDZBQOSA-N 1 0 384.495 4.109 20 0 GIADRO OC[C@H]1C[N@H+](Cc2ccc(-n3cnc4ccccc43)cc2)CC[C@H]1C(F)(F)F ZINC000570247660 823018853 /nfs/dbraw/zinc/01/88/53/823018853.db2.gz HWQHEOXKWFGXLU-SJLPKXTDSA-N 1 0 389.421 4.018 20 0 GIADRO C[C@H](NC(=O)CCc1ncc(-c2ccccc2F)o1)[C@@H](c1ccccc1)[NH+](C)C ZINC000187167701 823020115 /nfs/dbraw/zinc/02/01/15/823020115.db2.gz GTJKJSPYFFNVMC-HJPURHCSSA-N 1 0 395.478 4.221 20 0 GIADRO CC[C@H]([NH2+][C@@H]1CCN(c2ncccc2F)C1)c1cccc(Br)c1 ZINC000570260218 823020416 /nfs/dbraw/zinc/02/04/16/823020416.db2.gz NCNSSHCVXQRTRZ-WBVHZDCISA-N 1 0 378.289 4.303 20 0 GIADRO CN1C(=O)CCc2cc(C[NH2+]Cc3ccc(-n4cnc5ccccc54)cc3)ccc21 ZINC000187174309 823020711 /nfs/dbraw/zinc/02/07/11/823020711.db2.gz VOWLOJXRDGAFHY-UHFFFAOYSA-N 1 0 396.494 4.224 20 0 GIADRO COc1ccc(C[NH+](C)C)cc1NC(=O)NC[C@H]1CCCC[C@H]1C(F)(F)F ZINC000570267931 823021141 /nfs/dbraw/zinc/02/11/41/823021141.db2.gz ZYNFMKKMFFNASU-HUUCEWRRSA-N 1 0 387.446 4.247 20 0 GIADRO O=C(NCCC[NH2+]C1CC1)c1ccc(Oc2cccc(Cl)c2Cl)nc1 ZINC000570283280 823022212 /nfs/dbraw/zinc/02/22/12/823022212.db2.gz PNESMFJWUATCCA-UHFFFAOYSA-N 1 0 380.275 4.053 20 0 GIADRO CSCc1cnc(C[NH2+][C@@H]2CCCN(Cc3c(F)cccc3F)C2)s1 ZINC000570298032 823023470 /nfs/dbraw/zinc/02/34/70/823023470.db2.gz QGFWBLHJLJQDSF-CYBMUJFWSA-N 1 0 383.533 4.039 20 0 GIADRO COc1ccc([C@@H](C)CC(=O)Nc2ccc(N(C)C3CC[NH+](C)CC3)cc2)cc1 ZINC000175703497 823023752 /nfs/dbraw/zinc/02/37/52/823023752.db2.gz LQPXAIKCVYXFDJ-SFHVURJKSA-N 1 0 395.547 4.358 20 0 GIADRO C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000570304480 823024031 /nfs/dbraw/zinc/02/40/31/823024031.db2.gz BFZYKGLIYRRPAK-FZMZJTMJSA-N 1 0 393.318 4.429 20 0 GIADRO Cc1cc(NC(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)ccc1-c1ccccc1 ZINC000570305532 823024245 /nfs/dbraw/zinc/02/42/45/823024245.db2.gz RYDMJRDCFJIVFX-YADHBBJMSA-N 1 0 379.504 4.022 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)N[C@@H](CO)c1ccc(F)cc1)C1CCCCC1 ZINC000570309466 823024411 /nfs/dbraw/zinc/02/44/11/823024411.db2.gz CSYLNMLFJYLBFE-QFIPXVFZSA-N 1 0 399.510 4.445 20 0 GIADRO C[C@@H]1CC[N@H+](Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C[C@@H]1n1ccnc1 ZINC000570318287 823025413 /nfs/dbraw/zinc/02/54/13/823025413.db2.gz FZYBPEWNMNEVOF-BEFAXECRSA-N 1 0 389.425 4.171 20 0 GIADRO Cc1cccc(N2CCC([NH2+][C@H](C)c3ncc(Br)cc3F)CC2)n1 ZINC000187217478 823026416 /nfs/dbraw/zinc/02/64/16/823026416.db2.gz BAZDHIRXXASCPW-CYBMUJFWSA-N 1 0 393.304 4.006 20 0 GIADRO Cc1oc(-c2ccccc2)nc1CC(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000187221781 823026932 /nfs/dbraw/zinc/02/69/32/823026932.db2.gz FCINZDJFDJLASJ-AOMKIAJQSA-N 1 0 377.488 4.000 20 0 GIADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CCCc1c[nH]c2ccccc12 ZINC000187225085 823027528 /nfs/dbraw/zinc/02/75/28/823027528.db2.gz XFORRCXJDCHAQD-UHFFFAOYSA-N 1 0 390.936 4.337 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc4c(c3)CCC=C4)c(C)c2)CC1 ZINC000570349035 823027636 /nfs/dbraw/zinc/02/76/36/823027636.db2.gz HOLGQEFQONLYJF-UHFFFAOYSA-N 1 0 375.516 4.349 20 0 GIADRO Cc1oc(-c2ccsc2)nc1CC(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000187229918 823028015 /nfs/dbraw/zinc/02/80/15/823028015.db2.gz SAJRTHINBKSROQ-XOBRGWDASA-N 1 0 383.517 4.062 20 0 GIADRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](CCO)c2ccccc2)c1O ZINC000187235033 823028613 /nfs/dbraw/zinc/02/86/13/823028613.db2.gz NXKYTWRGWMEHOH-GOEBONIOSA-N 1 0 378.310 4.280 20 0 GIADRO C[C@@H](NC(=O)Cc1csc(-c2cccc(F)c2)n1)[C@@H](c1ccccc1)[NH+](C)C ZINC000187239245 823029065 /nfs/dbraw/zinc/02/90/65/823029065.db2.gz FVNUIUGNMAGEKV-VFNWGFHPSA-N 1 0 397.519 4.299 20 0 GIADRO Cc1ccc(C[C@H]([NH2+]Cc2ccc3c(c2)CCC(=O)N3C)c2ccccn2)cc1 ZINC000187243566 823029550 /nfs/dbraw/zinc/02/95/50/823029550.db2.gz FUKWHPPKUJCUKE-QHCPKHFHSA-N 1 0 385.511 4.373 20 0 GIADRO CN(CC1(c2ccccc2)CC1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000187244647 823029682 /nfs/dbraw/zinc/02/96/82/823029682.db2.gz QLZNQZWOTMDCFQ-UHFFFAOYSA-N 1 0 377.532 4.156 20 0 GIADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)Nc1cccc(COC2CCCCC2)c1 ZINC000175740407 823029940 /nfs/dbraw/zinc/02/99/40/823029940.db2.gz HAEKYCGXKZQHLW-QFIPXVFZSA-N 1 0 388.552 4.268 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH2+]C[C@H](O)c1ccc(OC(C)C)cc1 ZINC000187246432 823030058 /nfs/dbraw/zinc/03/00/58/823030058.db2.gz FGTCDOQRAJKPFL-QHCPKHFHSA-N 1 0 392.499 4.368 20 0 GIADRO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000187251339 823030667 /nfs/dbraw/zinc/03/06/67/823030667.db2.gz RRERGFXVECDFJE-VXGBXAGGSA-N 1 0 380.330 4.095 20 0 GIADRO Cc1ccc(-c2nc(CC(=O)N[C@@H](C)[C@@H](c3ccccc3)[NH+](C)C)cs2)o1 ZINC000187255009 823031179 /nfs/dbraw/zinc/03/11/79/823031179.db2.gz MCBQUTUISUPOPG-YWZLYKJASA-N 1 0 383.517 4.062 20 0 GIADRO Cc1ccc(-c2nc(CC(=O)N[C@@H](C)[C@H](c3ccccc3)[NH+](C)C)cs2)o1 ZINC000187255047 823031243 /nfs/dbraw/zinc/03/12/43/823031243.db2.gz MCBQUTUISUPOPG-MGPUTAFESA-N 1 0 383.517 4.062 20 0 GIADRO O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000570380267 823031745 /nfs/dbraw/zinc/03/17/45/823031745.db2.gz PKZRNBKVDXYQRZ-MSOLQXFVSA-N 1 0 390.487 4.348 20 0 GIADRO C[C@H](NC(=O)c1c(F)cc(Br)cc1F)[C@@H](c1ccccc1)[NH+](C)C ZINC000187259108 823031848 /nfs/dbraw/zinc/03/18/48/823031848.db2.gz HLZIJSRDIPCMCK-GTNSWQLSSA-N 1 0 397.263 4.149 20 0 GIADRO C[C@@H](NC(=O)c1cc(F)ccc1Br)[C@@H](c1ccccc1)[NH+](C)C ZINC000187266975 823033327 /nfs/dbraw/zinc/03/33/27/823033327.db2.gz KCMFZHMQTQMMIX-PXAZEXFGSA-N 1 0 379.273 4.009 20 0 GIADRO CCc1noc(C)c1CNC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000458377948 823034280 /nfs/dbraw/zinc/03/42/80/823034280.db2.gz RNSFZUINSRMCIV-INIZCTEOSA-N 1 0 384.524 4.008 20 0 GIADRO CCCOc1ccccc1[C@H](CC(C)C)[NH2+][C@@H](C)C1CCS(=O)(=O)CC1 ZINC000187271401 823034376 /nfs/dbraw/zinc/03/43/76/823034376.db2.gz JCJJSXQKFSOCFX-PXNSSMCTSA-N 1 0 381.582 4.366 20 0 GIADRO CCCOc1ccccc1[C@@H](CC(C)C)[NH2+][C@H](C)C1CCS(=O)(=O)CC1 ZINC000187271417 823034471 /nfs/dbraw/zinc/03/44/71/823034471.db2.gz JCJJSXQKFSOCFX-YLJYHZDGSA-N 1 0 381.582 4.366 20 0 GIADRO C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CCC[C@]2(CCSC2)C1)c1ccccc1 ZINC000458381071 823034702 /nfs/dbraw/zinc/03/47/02/823034702.db2.gz VKQHEPWYLMKWED-UTKZUKDTSA-N 1 0 375.582 4.045 20 0 GIADRO C[C@H]([NH2+]C(C)(C)CNC(=O)N1CCC[C@]2(CCSC2)C1)c1ccccc1 ZINC000458381072 823034834 /nfs/dbraw/zinc/03/48/34/823034834.db2.gz VKQHEPWYLMKWED-UWJYYQICSA-N 1 0 375.582 4.045 20 0 GIADRO Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)cc1 ZINC000187273628 823034946 /nfs/dbraw/zinc/03/49/46/823034946.db2.gz ZXLDVPQVYOIIJM-QPPBQGQZSA-N 1 0 378.516 4.162 20 0 GIADRO Cc1nc(C(C)(C)[NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)sc1C ZINC000187275401 823035400 /nfs/dbraw/zinc/03/54/00/823035400.db2.gz SZWNKXHWXGBJBH-CQSZACIVSA-N 1 0 387.318 4.220 20 0 GIADRO Cc1nc(-c2cccc(NC(=O)N[C@H](C)[C@@H](c3ccccc3C)[NH+](C)C)c2)no1 ZINC000570422514 823035659 /nfs/dbraw/zinc/03/56/59/823035659.db2.gz WRBMLOPOUXZXDC-QRWLVFNGSA-N 1 0 393.491 4.166 20 0 GIADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc(Oc2ccccc2F)nc1 ZINC000570421952 823035742 /nfs/dbraw/zinc/03/57/42/823035742.db2.gz ZVEFKJDGEAMHTR-CRAIPNDOSA-N 1 0 384.455 4.104 20 0 GIADRO [NH3+][C@@H]1CCc2ncc(NC(=O)N3CCC[C@H]3c3cccc4ccccc43)cc2C1 ZINC000570424794 823036416 /nfs/dbraw/zinc/03/64/16/823036416.db2.gz AYNGMKYUCILNCO-JPYJTQIMSA-N 1 0 386.499 4.420 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(C)[C@H]1c1ccccc1)c1nnc(-c2ccccc2F)s1 ZINC000570437915 823038357 /nfs/dbraw/zinc/03/83/57/823038357.db2.gz HYEOQRJPNLPWIU-KYNGSXCRSA-N 1 0 382.508 4.440 20 0 GIADRO C[C@H]1CCC[C@H](CCNC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000458424617 823039002 /nfs/dbraw/zinc/03/90/02/823039002.db2.gz VFKHEAKWOQMJJW-JKSUJKDBSA-N 1 0 377.495 4.261 20 0 GIADRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccsc1)c1ncc(-c2ccccc2)o1 ZINC000458432538 823039527 /nfs/dbraw/zinc/03/95/27/823039527.db2.gz RGRGXAAWHSJRPM-INIZCTEOSA-N 1 0 398.532 4.238 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000187300815 823039674 /nfs/dbraw/zinc/03/96/74/823039674.db2.gz OVUSLODUQURCNI-JOCHJYFZSA-N 1 0 393.531 4.028 20 0 GIADRO Cc1nsc(C)c1CN1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000570461758 823041070 /nfs/dbraw/zinc/04/10/70/823041070.db2.gz UFKYCSUMZFHLAL-UHFFFAOYSA-N 1 0 378.929 4.153 20 0 GIADRO Cc1c(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cccc1C(=O)Nc1ccccc1 ZINC000175793667 823041731 /nfs/dbraw/zinc/04/17/31/823041731.db2.gz FWDIJZWMISTAIW-APWZRJJASA-N 1 0 394.519 4.194 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)[C@H]1CCCc2c(O)cccc21 ZINC000190135965 823541765 /nfs/dbraw/zinc/54/17/65/823541765.db2.gz CGYKVJAPQJWBRI-IBGZPJMESA-N 1 0 382.504 4.171 20 0 GIADRO Clc1ccc(C2(C[NH2+]Cc3ccc(-n4ccnc4)cc3)CCOCC2)cc1 ZINC000123804725 823542148 /nfs/dbraw/zinc/54/21/48/823542148.db2.gz CZVWSGMYTKWTNU-UHFFFAOYSA-N 1 0 381.907 4.364 20 0 GIADRO COc1ccccc1C1(CNC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)CCCC1 ZINC000060559111 823542395 /nfs/dbraw/zinc/54/23/95/823542395.db2.gz NGEKNACWYZEBFY-UHFFFAOYSA-N 1 0 387.568 4.023 20 0 GIADRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)NCc1cccc2ccccc21 ZINC000060565501 823542890 /nfs/dbraw/zinc/54/28/90/823542890.db2.gz LCOZIDDGKSTTNO-UHFFFAOYSA-N 1 0 379.479 4.252 20 0 GIADRO Cc1c2ccccc2oc1[C@@H](C)[NH2+][C@@H](C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000190148856 823543218 /nfs/dbraw/zinc/54/32/18/823543218.db2.gz HPSDZRIRDYSJHR-GJYPPUQNSA-N 1 0 378.472 4.420 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CCOc2cccc(C(F)(F)F)c2)cc1NC(C)=O ZINC000177902336 823543967 /nfs/dbraw/zinc/54/39/67/823543967.db2.gz QCHYRWRNPWUEAN-CYBMUJFWSA-N 1 0 396.409 4.402 20 0 GIADRO CC[C@H](C)Sc1ccc(NC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c(C)c1 ZINC000190159072 823544350 /nfs/dbraw/zinc/54/43/50/823544350.db2.gz PAFDXUIYBJTCCM-SJORKVTESA-N 1 0 393.597 4.195 20 0 GIADRO CCOc1ccc([C@@H](CC)[NH2+]Cc2cccnc2-n2cccn2)cc1OCC ZINC000177907255 823544562 /nfs/dbraw/zinc/54/45/62/823544562.db2.gz PBDDVVLHFCJPBA-LJQANCHMSA-N 1 0 380.492 4.306 20 0 GIADRO COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C)[C@H]2C)cc1 ZINC000177907276 823544664 /nfs/dbraw/zinc/54/46/64/823544664.db2.gz QPJIGVDYAYIOER-ZACQAIPSSA-N 1 0 395.503 4.005 20 0 GIADRO O=C(c1cnc2ccccc2n1)N(CCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000411097633 823545340 /nfs/dbraw/zinc/54/53/40/823545340.db2.gz CKERHUUVZHZJAL-UHFFFAOYSA-N 1 0 394.906 4.416 20 0 GIADRO C[C@H]([NH2+]CCCC(=O)Nc1ccc(Cl)cc1)c1ccc([S@](C)=O)cc1 ZINC000177911160 823545450 /nfs/dbraw/zinc/54/54/50/823545450.db2.gz QNSOPBPTSDILDW-SXBQZSJRSA-N 1 0 378.925 4.147 20 0 GIADRO CCn1cc([C@@H](C)[NH2+]CC2(c3cccc(Br)c3)CCOCC2)cn1 ZINC000177913936 823545660 /nfs/dbraw/zinc/54/56/60/823545660.db2.gz ZYYCMAXODBFESE-OAHLLOKOSA-N 1 0 392.341 4.065 20 0 GIADRO Clc1ccc(C2(C[NH2+]C3CCN(Cc4cccnc4)CC3)CCOCC2)cc1 ZINC000177919121 823546188 /nfs/dbraw/zinc/54/61/88/823546188.db2.gz MSCMKTLNOHNOBZ-UHFFFAOYSA-N 1 0 399.966 4.037 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)c1cc(F)cc(F)c1 ZINC000177922228 823546780 /nfs/dbraw/zinc/54/67/80/823546780.db2.gz ZWEHKWBLHHMBDO-OAGGEKHMSA-N 1 0 388.458 4.065 20 0 GIADRO COc1ccc(C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1F ZINC000123864622 823547320 /nfs/dbraw/zinc/54/73/20/823547320.db2.gz ZECDNBGCJMYADL-LIRRHRJNSA-N 1 0 394.849 4.050 20 0 GIADRO O=C(c1ccc(-c2cc(F)c(F)c(F)c2)cc1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000460946681 823548293 /nfs/dbraw/zinc/54/82/93/823548293.db2.gz ZWLJMOQGMCOOGZ-SFHVURJKSA-N 1 0 388.433 4.471 20 0 GIADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2ncoc2-c2ccccc2Cl)C1 ZINC000460950444 823549157 /nfs/dbraw/zinc/54/91/57/823549157.db2.gz PYYLLCLEXOLIBO-XHSDSOJGSA-N 1 0 387.911 4.472 20 0 GIADRO C[C@@H](COc1cccc(F)c1)NC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000060630597 823549331 /nfs/dbraw/zinc/54/93/31/823549331.db2.gz JVYSPCUTTAVXPE-SFHVURJKSA-N 1 0 399.510 4.078 20 0 GIADRO CCN(CCC[NH+]1CCCC1)C(=O)N[C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000190197874 823549825 /nfs/dbraw/zinc/54/98/25/823549825.db2.gz BWGXEHFKJDKLAY-LJQANCHMSA-N 1 0 380.536 4.327 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@H]2CCN(C(=O)C3CCCCC3)C2)ccc1SC ZINC000123896883 823549819 /nfs/dbraw/zinc/54/98/19/823549819.db2.gz VNVFECGFTNKQGX-YJBOKZPZSA-N 1 0 376.566 4.249 20 0 GIADRO Cc1cc(NC(=O)C(=O)N[C@@H](C)c2cccc3ccccc32)ccc1C[NH+](C)C ZINC000411122854 823549885 /nfs/dbraw/zinc/54/98/85/823549885.db2.gz BKOBEXUEHDFEGO-KRWDZBQOSA-N 1 0 389.499 4.026 20 0 GIADRO Cc1ccc(Cl)cc1C(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000123909035 823550769 /nfs/dbraw/zinc/55/07/69/823550769.db2.gz MJZZOFCYGNZYRM-IBGZPJMESA-N 1 0 384.907 4.366 20 0 GIADRO CCOCCC1(C(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CCC1 ZINC000123919959 823551693 /nfs/dbraw/zinc/55/16/93/823551693.db2.gz VXMVZCFFINFKPS-QFBILLFUSA-N 1 0 396.934 4.185 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)c2ccccc2OCc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000123956357 823555144 /nfs/dbraw/zinc/55/51/44/823555144.db2.gz CRZDNOUQHIDYIZ-LPHOPBHVSA-N 1 0 386.923 4.474 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)C[N@H+]2CC[C@@H](Cc3ccc(C(C)C)cc3)C2)c1 ZINC000460981278 823555312 /nfs/dbraw/zinc/55/53/12/823555312.db2.gz OKANESGCJIAICJ-FQEVSTJZSA-N 1 0 393.531 4.272 20 0 GIADRO CCC[N@H+](CC1CCCCC1)[C@H](C)C(=O)Nc1cc(NC(C)=O)ccc1OC ZINC000411193698 823556034 /nfs/dbraw/zinc/55/60/34/823556034.db2.gz SUCZIXSGXBVQGL-MRXNPFEDSA-N 1 0 389.540 4.273 20 0 GIADRO CCCC[N@H+](C)CCNC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1 ZINC000460990343 823556307 /nfs/dbraw/zinc/55/63/07/823556307.db2.gz GANQQENVYPVKCU-UHFFFAOYSA-N 1 0 397.306 4.037 20 0 GIADRO CCCC[N@H+](C)CCNC(=O)c1cc(NC(=O)CC(C)(C)C)ccc1Cl ZINC000460990370 823556464 /nfs/dbraw/zinc/55/64/64/823556464.db2.gz GLGBNLBXYNCFPR-UHFFFAOYSA-N 1 0 381.948 4.176 20 0 GIADRO C[C@H](C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)c1cccc(Cl)c1 ZINC000460993839 823556736 /nfs/dbraw/zinc/55/67/36/823556736.db2.gz AKFJJCJQZOBSPZ-KRWDZBQOSA-N 1 0 386.923 4.235 20 0 GIADRO COc1ccccc1NC(=O)C[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000123974563 823557071 /nfs/dbraw/zinc/55/70/71/823557071.db2.gz XRAXJJMNHIOQIZ-CTNGQTDRSA-N 1 0 382.504 4.002 20 0 GIADRO CC[NH+](CC)[C@@H](C)CNC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1 ZINC000460997935 823557095 /nfs/dbraw/zinc/55/70/95/823557095.db2.gz VJFXCOSVJNTAIE-LBPRGKRZSA-N 1 0 397.306 4.036 20 0 GIADRO O=C(Nc1cccc(N2CCCC2=O)c1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000411215608 823557932 /nfs/dbraw/zinc/55/79/32/823557932.db2.gz CMWDFUZMFQNEFR-UHFFFAOYSA-N 1 0 377.488 4.052 20 0 GIADRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)N(C)[C@H]1CC[C@@H](C(F)(F)F)CC1)c1ccco1 ZINC000461005844 823558034 /nfs/dbraw/zinc/55/80/34/823558034.db2.gz LLTLPIKHBRWHAR-WCVJEAGWSA-N 1 0 389.462 4.471 20 0 GIADRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2CCCc3c(O)cccc32)CC1 ZINC000190275067 823558530 /nfs/dbraw/zinc/55/85/30/823558530.db2.gz SVRLVNUTBCHVGX-HSZRJFAPSA-N 1 0 392.543 4.183 20 0 GIADRO CC1CC[NH+](CCCCNC(=O)C2(c3ccccc3Br)CC2)CC1 ZINC000190278870 823558668 /nfs/dbraw/zinc/55/86/68/823558668.db2.gz UCPKMGQLGXCZEY-UHFFFAOYSA-N 1 0 393.369 4.109 20 0 GIADRO Cc1cccn2cc(C[NH2+]Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)nc12 ZINC000123998735 823558787 /nfs/dbraw/zinc/55/87/87/823558787.db2.gz CIVICOFFKCFPLY-UHFFFAOYSA-N 1 0 385.393 4.137 20 0 GIADRO C[C@@H]1[C@@H](C(=O)N2CCC([N@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)C1(F)F ZINC000461012214 823558913 /nfs/dbraw/zinc/55/89/13/823558913.db2.gz KQNNSAQYKZFHKJ-WBMJQRKESA-N 1 0 390.396 4.029 20 0 GIADRO C(C1CCC2(CC1)OCCO2)[N@@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000190285437 823559218 /nfs/dbraw/zinc/55/92/18/823559218.db2.gz UGKFHPJIAFZQHT-QGZVFWFLSA-N 1 0 376.566 4.135 20 0 GIADRO Cc1c([C@@H](C)[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)cnn1-c1ccc(F)cc1 ZINC000124005504 823559316 /nfs/dbraw/zinc/55/93/16/823559316.db2.gz FTCKVNWKXVZMRM-BEFAXECRSA-N 1 0 392.478 4.055 20 0 GIADRO COc1ccc2oc(C[NH2+]Cc3ccccc3CN3C[C@@H](C)O[C@H](C)C3)cc2c1 ZINC000124006240 823559388 /nfs/dbraw/zinc/55/93/88/823559388.db2.gz YDXCZYUACZYUAG-QZTJIDSGSA-N 1 0 394.515 4.340 20 0 GIADRO CC[C@@H](C)[NH2+][C@H](CNC(=O)N1Cc2ccccc2OC(C)(C)C1)c1ccco1 ZINC000461017115 823559529 /nfs/dbraw/zinc/55/95/29/823559529.db2.gz RDANFHOCTPBXNL-SJLPKXTDSA-N 1 0 385.508 4.092 20 0 GIADRO Fc1ccc(C[NH2+]C[C@@H](c2ccco2)N2CCCCC2)cc1Br ZINC000060818790 823559606 /nfs/dbraw/zinc/55/96/06/823559606.db2.gz IMIWCSQGHHPWFL-KRWDZBQOSA-N 1 0 381.289 4.498 20 0 GIADRO COc1ccc(C[NH2+]Cc2cc(Br)ccc2C)c(OC)c1OC ZINC000190299930 823560313 /nfs/dbraw/zinc/56/03/13/823560313.db2.gz VIUYBALLGXZZTE-UHFFFAOYSA-N 1 0 380.282 4.073 20 0 GIADRO CC[N@H+](Cc1nc2ccc(Cl)cc2c(=O)[nH]1)[C@H](C)Cc1ccc(OC)cc1 ZINC000411256179 823560482 /nfs/dbraw/zinc/56/04/82/823560482.db2.gz QKMTYXXHQXASIZ-CQSZACIVSA-N 1 0 385.895 4.451 20 0 GIADRO Cc1ccc([C@@H](NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)c2ccccc2)cc1 ZINC000411259506 823560688 /nfs/dbraw/zinc/56/06/88/823560688.db2.gz AYSWJSKZOGVKDM-GOTSBHOMSA-N 1 0 394.584 4.418 20 0 GIADRO COc1ccc(Br)cc1C[NH2+]C[C@H](c1cccs1)N1CCCC1 ZINC000060832448 823560978 /nfs/dbraw/zinc/56/09/78/823560978.db2.gz DEJIIISNNHYBEP-MRXNPFEDSA-N 1 0 395.366 4.446 20 0 GIADRO Cc1nc(-c2cccc(NC(=O)C3CC[NH+]([C@H]4CCSC4)CC3)c2)cs1 ZINC000411264767 823561076 /nfs/dbraw/zinc/56/10/76/823561076.db2.gz MYEBCUPIXCOVAE-SFHVURJKSA-N 1 0 387.574 4.275 20 0 GIADRO Cc1ccc(CSCC[NH2+]Cc2ccccc2OCC(=O)N2CCCC2)cc1 ZINC000060842090 823561354 /nfs/dbraw/zinc/56/13/54/823561354.db2.gz QFXYXYMPTJOTJX-UHFFFAOYSA-N 1 0 398.572 4.019 20 0 GIADRO COc1ccc([C@@H]([NH2+]C[C@@H]2CC=CCC2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000124036227 823561740 /nfs/dbraw/zinc/56/17/40/823561740.db2.gz BDFLSADLERPNKC-VGOFRKELSA-N 1 0 385.529 4.134 20 0 GIADRO C[C@@](CO)([NH2+]Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1)C1CCCCC1 ZINC000411285177 823562211 /nfs/dbraw/zinc/56/22/11/823562211.db2.gz QXCKPAYCZMPMHN-FQEVSTJZSA-N 1 0 387.505 4.078 20 0 GIADRO C[C@H]([NH2+]CC1CCC2(CC1)OCCO2)c1cccc(OCc2ccccn2)c1 ZINC000190321003 823562464 /nfs/dbraw/zinc/56/24/64/823562464.db2.gz UXYNUYZIULUWEO-SFHVURJKSA-N 1 0 382.504 4.245 20 0 GIADRO Fc1ccc(-n2ccc(C[NH2+][C@@H](C[C@@H]3CCOC3)c3ccccc3)n2)c(F)c1 ZINC000190325875 823563086 /nfs/dbraw/zinc/56/30/86/823563086.db2.gz DQJOUYVTOAORKI-KKSFZXQISA-N 1 0 383.442 4.408 20 0 GIADRO Cc1ccc(CNC(=O)C2CC[NH+](Cc3cnc4ccc(C)cc4c3)CC2)cc1 ZINC000411299901 823563183 /nfs/dbraw/zinc/56/31/83/823563183.db2.gz BCWOJLCTRPZACH-UHFFFAOYSA-N 1 0 387.527 4.380 20 0 GIADRO CC(=O)c1c(C)[nH]c(C(=O)CN(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1C ZINC000411304184 823563513 /nfs/dbraw/zinc/56/35/13/823563513.db2.gz BNXDRXYLRRUWAO-IERDGZPVSA-N 1 0 395.547 4.002 20 0 GIADRO CN(Cc1ccc(-c2ncco2)cc1F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000411307421 823563791 /nfs/dbraw/zinc/56/37/91/823563791.db2.gz HOMWQJSKZWSAJO-UHFFFAOYSA-N 1 0 394.494 4.015 20 0 GIADRO C[C@@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000411358642 823566337 /nfs/dbraw/zinc/56/63/37/823566337.db2.gz COZGEHBRHUAIHK-CXAGYDPISA-N 1 0 386.483 4.100 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)CC[NH2+]C(C)(C)c1ccccc1OC ZINC000411363639 823566540 /nfs/dbraw/zinc/56/65/40/823566540.db2.gz KIIQBSCYOMDDQM-UHFFFAOYSA-N 1 0 376.884 4.211 20 0 GIADRO O=C(C[NH2+]C1(c2ccc(Cl)cc2)CCOCC1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000411369515 823566924 /nfs/dbraw/zinc/56/69/24/823566924.db2.gz QJMGKBYPQFXXTL-FXAWDEMLSA-N 1 0 390.955 4.117 20 0 GIADRO C[N@H+](Cc1ccc(-c2ncco2)cc1F)C1CCN(C(=O)c2ccccc2)CC1 ZINC000411375365 823567318 /nfs/dbraw/zinc/56/73/18/823567318.db2.gz GMMVFNAEMNNHKW-UHFFFAOYSA-N 1 0 393.462 4.217 20 0 GIADRO C[NH+](C)Cc1cccc(C(=O)N2CCCCC[C@H]2C[C@@H](O)c2ccccc2)c1 ZINC000124102194 823567806 /nfs/dbraw/zinc/56/78/06/823567806.db2.gz BTOAUTJQWZQKJB-XZOQPEGZSA-N 1 0 380.532 4.257 20 0 GIADRO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000124109080 823568205 /nfs/dbraw/zinc/56/82/05/823568205.db2.gz MJZYEUFCSDASHU-LJQANCHMSA-N 1 0 390.535 4.083 20 0 GIADRO O=c1nc(C[NH2+]C2(CO)CCCC2)[nH]c2scc(-c3ccccc3Cl)c21 ZINC000411387408 823568571 /nfs/dbraw/zinc/56/85/71/823568571.db2.gz LGTXGQLTJAMDLY-UHFFFAOYSA-N 1 0 389.908 4.112 20 0 GIADRO COc1cccc(CNC(=O)NCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000060955738 823569337 /nfs/dbraw/zinc/56/93/37/823569337.db2.gz YKTMXUOYBBBMDK-OALUTQOASA-N 1 0 395.547 4.173 20 0 GIADRO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1c[nH]cc1-c1ccc(F)cc1 ZINC000461068378 823569523 /nfs/dbraw/zinc/56/95/23/823569523.db2.gz NWHMRZNNHWEBRD-HXUWFJFHSA-N 1 0 377.463 4.215 20 0 GIADRO CC[NH2+]Cc1cccc(NC(=O)c2sc(C)c(Br)c2OC)c1 ZINC000124135583 823570753 /nfs/dbraw/zinc/57/07/53/823570753.db2.gz LCYTZJJTBZHZTL-UHFFFAOYSA-N 1 0 383.311 4.189 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+](Cc1cccnc1)C(C)C ZINC000411407935 823570976 /nfs/dbraw/zinc/57/09/76/823570976.db2.gz KWAYGMPPDMEDAH-UHFFFAOYSA-N 1 0 391.519 4.123 20 0 GIADRO COc1ccc(C)cc1NC(=O)[C@H]([NH2+]C[C@](C)(OC)C1CC1)c1ccccc1 ZINC000461076162 823571225 /nfs/dbraw/zinc/57/12/25/823571225.db2.gz OOUSCHXAQOJFSW-GGAORHGYSA-N 1 0 382.504 4.088 20 0 GIADRO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1csc(-c2ccc(C)cc2)n1 ZINC000190423925 823571809 /nfs/dbraw/zinc/57/18/09/823571809.db2.gz KGJSEBGXRAKPEX-OALUTQOASA-N 1 0 382.533 4.345 20 0 GIADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](c2ccn(C)n2)c2ccc(Cl)cc2)C[C@H]1C ZINC000461079774 823572128 /nfs/dbraw/zinc/57/21/28/823572128.db2.gz GIWRQDXGARCDQV-GVZBARQTSA-N 1 0 389.927 4.120 20 0 GIADRO Cc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C2CCC(O)CC2)cc1 ZINC000061003539 823572298 /nfs/dbraw/zinc/57/22/98/823572298.db2.gz WHYUZMAAESKJQI-UHFFFAOYSA-N 1 0 375.516 4.300 20 0 GIADRO C[C@@H](c1ccccn1)[N@H+](C)CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000411421520 823572350 /nfs/dbraw/zinc/57/23/50/823572350.db2.gz MUUBYMRTWHSMRX-JTSKRJEESA-N 1 0 379.529 4.432 20 0 GIADRO COc1ccc(CCNC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)cc1 ZINC000061011805 823572613 /nfs/dbraw/zinc/57/26/13/823572613.db2.gz LQFKLDFEPXOACO-UHFFFAOYSA-N 1 0 395.547 4.113 20 0 GIADRO CN(C)C(=O)[C@@H]([NH2+][C@H]1C[C@H](c2ccc(Br)cc2)C1)c1ccccc1 ZINC000461082813 823572869 /nfs/dbraw/zinc/57/28/69/823572869.db2.gz FCOUOBIAZCRINE-WDSOQIARSA-N 1 0 387.321 4.114 20 0 GIADRO CCc1ccc(CNC(=O)NCC2CC[NH+](Cc3cccs3)CC2)s1 ZINC000061021693 823573721 /nfs/dbraw/zinc/57/37/21/823573721.db2.gz RKVIERGBMBNHGW-UHFFFAOYSA-N 1 0 377.579 4.083 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCC(c3ccncc3)CC2)CC1 ZINC000190438959 823574085 /nfs/dbraw/zinc/57/40/85/823574085.db2.gz QZNDPYQNPAIPDC-IBGZPJMESA-N 1 0 392.547 4.196 20 0 GIADRO COc1ccc(OC)c([C@H](C)[NH2+]CCC(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000411438409 823574183 /nfs/dbraw/zinc/57/41/83/823574183.db2.gz NGWNNNCWIKZRRX-ZDUSSCGKSA-N 1 0 396.409 4.402 20 0 GIADRO COc1ccc(Br)cc1C[NH2+]CCc1ccc(OC(F)F)cc1 ZINC000061029617 823574266 /nfs/dbraw/zinc/57/42/66/823574266.db2.gz KYANBPIDPWBUBS-UHFFFAOYSA-N 1 0 386.236 4.391 20 0 GIADRO C[NH+]1CCC(NC(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)cc2)CC1 ZINC000061031030 823574448 /nfs/dbraw/zinc/57/44/48/823574448.db2.gz UKSNWUWSZJDHMB-UHFFFAOYSA-N 1 0 380.532 4.387 20 0 GIADRO Cc1cc(Br)ccc1NC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000124173863 823574477 /nfs/dbraw/zinc/57/44/77/823574477.db2.gz DKBJQZKLFPKLAE-UHFFFAOYSA-N 1 0 376.298 4.141 20 0 GIADRO CCOC(=O)c1ccc(C[NH2+][C@@H](C)c2cccc(OCc3ccccn3)c2)nc1 ZINC000411442133 823574647 /nfs/dbraw/zinc/57/46/47/823574647.db2.gz GFEVKUZTZGPMHX-KRWDZBQOSA-N 1 0 391.471 4.083 20 0 GIADRO C[C@@H](CCc1ccccc1)NC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000061036604 823574804 /nfs/dbraw/zinc/57/48/04/823574804.db2.gz PHVUPTZSEFWMQJ-SFHVURJKSA-N 1 0 385.577 4.281 20 0 GIADRO C[N@@H+](Cc1cc(Br)cs1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000061042578 823574993 /nfs/dbraw/zinc/57/49/93/823574993.db2.gz XTYGIGCVZPOMAG-ZDUSSCGKSA-N 1 0 390.730 4.036 20 0 GIADRO Cc1sc(-c2ccco2)nc1C(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000124183713 823575443 /nfs/dbraw/zinc/57/54/43/823575443.db2.gz ZGANIIQJQANJGV-UHFFFAOYSA-N 1 0 385.489 4.041 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1cccc(OCc2ccccn2)c1)C(=O)N(C)c1ccccc1 ZINC000411450095 823575844 /nfs/dbraw/zinc/57/58/44/823575844.db2.gz SZWXBPIAKNTZHR-OALUTQOASA-N 1 0 389.499 4.363 20 0 GIADRO CCOc1ccccc1NC(=O)CC[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000411450017 823575849 /nfs/dbraw/zinc/57/58/49/823575849.db2.gz SSKUAFBEAOONPS-CQSZACIVSA-N 1 0 378.419 4.366 20 0 GIADRO COc1cc(Br)ccc1[C@@H](C)[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000190449199 823575925 /nfs/dbraw/zinc/57/59/25/823575925.db2.gz RZKVMJQURMVNFD-CQSZACIVSA-N 1 0 390.325 4.304 20 0 GIADRO CC[NH+](CC)CCOc1ccc(CNC(=O)Nc2cscc2C)cc1OC ZINC000124191287 823576139 /nfs/dbraw/zinc/57/61/39/823576139.db2.gz YNCOTLRCQIIKPB-UHFFFAOYSA-N 1 0 391.537 4.107 20 0 GIADRO COc1ccc(C[C@@H]([NH2+]CCc2c(C)nn(C)c2C)c2ccc(OC)cc2)cc1 ZINC000124191766 823576140 /nfs/dbraw/zinc/57/61/40/823576140.db2.gz YNFDJDQLZQWTMX-XMMPIXPASA-N 1 0 393.531 4.170 20 0 GIADRO CCOc1ccccc1NC(=O)CC[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000411452272 823576251 /nfs/dbraw/zinc/57/62/51/823576251.db2.gz WFLAGIHDJBSISV-AWEZNQCLSA-N 1 0 378.419 4.366 20 0 GIADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H](C)CSc2ccccc2OC)C[C@@H]1C ZINC000461098184 823576649 /nfs/dbraw/zinc/57/66/49/823576649.db2.gz NNKLIXCXXJWUDD-VSZNYVQBSA-N 1 0 379.566 4.381 20 0 GIADRO Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000411456042 823576661 /nfs/dbraw/zinc/57/66/61/823576661.db2.gz MGDAGULLMVSAKI-KSZLIROESA-N 1 0 379.504 4.447 20 0 GIADRO COC[C@H]([NH2+]CCC(=O)N[C@@H](c1cccs1)c1ccccc1)c1ccccc1 ZINC000411458357 823577038 /nfs/dbraw/zinc/57/70/38/823577038.db2.gz QDXDSSHUKHGHJD-NZQKXSOJSA-N 1 0 394.540 4.321 20 0 GIADRO CS(=O)(=O)c1ccc(C[NH2+][C@H](c2ccc(Br)cc2)C2CCC2)o1 ZINC000411460051 823577152 /nfs/dbraw/zinc/57/71/52/823577152.db2.gz QPTDKVUEONYCDZ-KRWDZBQOSA-N 1 0 398.322 4.077 20 0 GIADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCc2nc3cc(Cl)ccc3s2)C[C@@H]1C ZINC000461100755 823577380 /nfs/dbraw/zinc/57/73/80/823577380.db2.gz RHMKZAYZGMXOMT-AEGPPILISA-N 1 0 380.941 4.450 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1)C(=O)N1CCCCC1 ZINC000411464885 823577924 /nfs/dbraw/zinc/57/79/24/823577924.db2.gz ZBABAWQFTSNBAK-DLBZAZTESA-N 1 0 397.494 4.130 20 0 GIADRO COCCSc1ccc([C@@H](C)[NH2+]CCc2nc(-c3ccccc3)no2)cc1 ZINC000411467228 823578269 /nfs/dbraw/zinc/57/82/69/823578269.db2.gz WKXXUCRKZUHTGN-MRXNPFEDSA-N 1 0 383.517 4.368 20 0 GIADRO CO[C@@]1(C[NH2+][C@@H](c2cccc(SC)c2)c2cc(F)ccc2F)CCOC1 ZINC000461105163 823578424 /nfs/dbraw/zinc/57/84/24/823578424.db2.gz WUZBZFLOESFVKI-VQTJNVASSA-N 1 0 379.472 4.171 20 0 GIADRO COCCOc1ccc([C@@H](C)[NH2+]Cc2ccc(Br)cc2)cc1OC ZINC000061110335 823578557 /nfs/dbraw/zinc/57/85/57/823578557.db2.gz KPENFLDUNAVVDW-CQSZACIVSA-N 1 0 394.309 4.334 20 0 GIADRO COc1cc(NC(=O)CC[NH2+][C@@H](C)c2ccc(F)cc2F)c(OC)cc1Cl ZINC000411472161 823578719 /nfs/dbraw/zinc/57/87/19/823578719.db2.gz SNCPUABUTGYXKR-NSHDSACASA-N 1 0 398.837 4.315 20 0 GIADRO COc1cc(NC(=O)CC[NH2+]C2(c3cccc(F)c3)CC2)c(OC)cc1Cl ZINC000411472439 823578952 /nfs/dbraw/zinc/57/89/52/823578952.db2.gz MYNWNNHVXJTLAY-UHFFFAOYSA-N 1 0 392.858 4.104 20 0 GIADRO COC[C@H]([NH2+]CCC(=O)Nc1ccccc1C(F)(F)F)c1ccc(F)cc1 ZINC000411474698 823579096 /nfs/dbraw/zinc/57/90/96/823579096.db2.gz LZYZBXTZQNCQJI-KRWDZBQOSA-N 1 0 384.373 4.150 20 0 GIADRO Cn1cc([C@@H]([NH2+]CCC(=O)Nc2c(Cl)cccc2Cl)C(C)(C)C)cn1 ZINC000411474778 823579129 /nfs/dbraw/zinc/57/91/29/823579129.db2.gz MPXQYCGRPBHPDQ-QGZVFWFLSA-N 1 0 383.323 4.433 20 0 GIADRO Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+][C@@H](CCO)C1CCOCC1 ZINC000461110213 823579354 /nfs/dbraw/zinc/57/93/54/823579354.db2.gz OLYNNXFCLUYSFY-ACJLOTCBSA-N 1 0 378.513 4.086 20 0 GIADRO C[C@@H]([NH2+][C@@H](CCO)C1CCOCC1)c1cc2cc(Br)ccc2o1 ZINC000461110936 823579550 /nfs/dbraw/zinc/57/95/50/823579550.db2.gz SNTKIFXSOXOXNX-WBMJQRKESA-N 1 0 382.298 4.024 20 0 GIADRO CCOc1ccc(NC(=O)CC[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)cc1 ZINC000411479746 823579601 /nfs/dbraw/zinc/57/96/01/823579601.db2.gz URPGIXYUUBKPGU-XMSQKQJNSA-N 1 0 382.504 4.171 20 0 GIADRO O=C(CC[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1)NCc1ccccc1Cl ZINC000411481539 823580000 /nfs/dbraw/zinc/58/00/00/823580000.db2.gz XULDFQLHDKUWMI-UWJYYQICSA-N 1 0 386.923 4.104 20 0 GIADRO CC[C@@H]([NH2+]CCC(=O)N[C@H](c1cccs1)c1ccccc1)C1CCOCC1 ZINC000411484416 823580158 /nfs/dbraw/zinc/58/01/58/823580158.db2.gz XYWNLVXRTWQSIJ-KNQAVFIVSA-N 1 0 386.561 4.139 20 0 GIADRO CC(C)CN(CC[NH+](C)C)C(=O)c1cc(NC(=O)CC(C)(C)C)ccc1Cl ZINC000461116207 823580327 /nfs/dbraw/zinc/58/03/27/823580327.db2.gz XMUFDVWDKGSAMA-UHFFFAOYSA-N 1 0 395.975 4.375 20 0 GIADRO O=C(Nc1ncc(-c2ccccc2)s1)Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000461117444 823580479 /nfs/dbraw/zinc/58/04/79/823580479.db2.gz UZHWFAQKDRLCPD-GOSISDBHSA-N 1 0 394.500 4.021 20 0 GIADRO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CCC(=Cc2cccc(F)c2)CC1 ZINC000411493803 823581049 /nfs/dbraw/zinc/58/10/49/823581049.db2.gz SQPDDKLRXBYAJJ-OAQYLSRUSA-N 1 0 388.552 4.049 20 0 GIADRO CC(C)(C)NC(=O)c1cccc(NC(=O)c2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000411493076 823581133 /nfs/dbraw/zinc/58/11/33/823581133.db2.gz HXKDKGVCMOMSRN-UHFFFAOYSA-N 1 0 393.531 4.453 20 0 GIADRO O=c1nc(C[NH2+][C@H](CCO)C2CCCCC2)[nH]c2scc(-c3ccccc3)c21 ZINC000411496443 823581448 /nfs/dbraw/zinc/58/14/48/823581448.db2.gz XNUKESQNBKKXET-GOSISDBHSA-N 1 0 397.544 4.485 20 0 GIADRO CC(C)(C)[C@@H](CO)[NH2+]Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1 ZINC000411498108 823581491 /nfs/dbraw/zinc/58/14/91/823581491.db2.gz AAYRDARLZFVNSQ-CQSZACIVSA-N 1 0 391.924 4.214 20 0 GIADRO CC(=O)Nc1cccc(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)c1C ZINC000190502834 823581627 /nfs/dbraw/zinc/58/16/27/823581627.db2.gz HTJVFHIVIAXHMD-NRFANRHFSA-N 1 0 399.922 4.174 20 0 GIADRO O=C(CC[NH+]1CCC(CCCn2ccnc2)CC1)Nc1ccc(Cl)cc1F ZINC000411500520 823581877 /nfs/dbraw/zinc/58/18/77/823581877.db2.gz GAVNZOLUGYIMOO-UHFFFAOYSA-N 1 0 392.906 4.197 20 0 GIADRO C[C@@H]([NH2+]Cc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)[C@H](C)C1CCCCC1 ZINC000411512995 823582998 /nfs/dbraw/zinc/58/29/98/823582998.db2.gz BZJJNQNXPMOAAY-JKSUJKDBSA-N 1 0 379.508 4.216 20 0 GIADRO C[NH+](C)C(C)(C)CNC(=O)c1ccccc1Nc1ccc(OC(F)F)cc1 ZINC000061206402 823584569 /nfs/dbraw/zinc/58/45/69/823584569.db2.gz FSKZVVBOCRDFHE-UHFFFAOYSA-N 1 0 377.435 4.102 20 0 GIADRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CC(=O)N3CCCC[C@@H]3C)s2)cc1 ZINC000411529235 823585088 /nfs/dbraw/zinc/58/50/88/823585088.db2.gz HQHFWKCPSJWWPH-GJZGRUSLSA-N 1 0 387.549 4.179 20 0 GIADRO C[C@@H](NCc1cccc(C[NH+]2CCCCC2)c1)c1cn(-c2ccccc2)nn1 ZINC000411532167 823585313 /nfs/dbraw/zinc/58/53/13/823585313.db2.gz KRDKKXNXUAKVMQ-LJQANCHMSA-N 1 0 375.520 4.104 20 0 GIADRO CCCCCNC(=O)C[NH2+][C@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000411538709 823586222 /nfs/dbraw/zinc/58/62/22/823586222.db2.gz WLGZNEXNPZJBSP-CQSZACIVSA-N 1 0 375.538 4.084 20 0 GIADRO O=C(N[C@@H](CC(F)(F)F)c1ccccc1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000411541326 823586639 /nfs/dbraw/zinc/58/66/39/823586639.db2.gz XZIICGFIALAIRW-IRXDYDNUSA-N 1 0 386.483 4.014 20 0 GIADRO Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)c2cc3ccccc3o2)C1 ZINC000190563791 823586749 /nfs/dbraw/zinc/58/67/49/823586749.db2.gz GIXPIPJDQATAKT-DOTOQJQBSA-N 1 0 397.544 4.282 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)cc1 ZINC000190563102 823586764 /nfs/dbraw/zinc/58/67/64/823586764.db2.gz FIVFIGMSOBXPHC-QHCPKHFHSA-N 1 0 391.515 4.431 20 0 GIADRO C[C@@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)c1ccc(F)c(Br)c1 ZINC000124321420 823587047 /nfs/dbraw/zinc/58/70/47/823587047.db2.gz MOPOYUQUCCYCGH-GHMZBOCLSA-N 1 0 383.227 4.123 20 0 GIADRO CCC[N@H+](CCc1cccs1)[C@H](C)C(=O)Nc1cc(OC)ccc1OC ZINC000411548163 823587268 /nfs/dbraw/zinc/58/72/68/823587268.db2.gz FEJMGCMLQPDLIA-OAHLLOKOSA-N 1 0 376.522 4.047 20 0 GIADRO CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[N@H+](C)[C@H](C)c1ccc(C)cc1 ZINC000061255830 823587696 /nfs/dbraw/zinc/58/76/96/823587696.db2.gz WSWCOHWDVONWHY-GOSISDBHSA-N 1 0 384.520 4.054 20 0 GIADRO COC(=O)c1ccc(C[NH2+][C@@H](c2cc(F)cc(Br)c2)C2CC2)nc1 ZINC000411553600 823587773 /nfs/dbraw/zinc/58/77/73/823587773.db2.gz DFDHYZJPMHEOAA-QGZVFWFLSA-N 1 0 393.256 4.011 20 0 GIADRO CCS[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1ccccc1Br ZINC000411559550 823587973 /nfs/dbraw/zinc/58/79/73/823587973.db2.gz IGPZJKHDBATQPW-JKSUJKDBSA-N 1 0 385.371 4.432 20 0 GIADRO CC(C)(CNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000190580100 823587994 /nfs/dbraw/zinc/58/79/94/823587994.db2.gz ILZMXSWVDQMGJK-MRXNPFEDSA-N 1 0 397.485 4.110 20 0 GIADRO CCCN(CC[NH+](CC)CC)C(=O)Cc1csc(-c2cccc(F)c2)n1 ZINC000461149859 823588093 /nfs/dbraw/zinc/58/80/93/823588093.db2.gz SFTVVBMXRRLCKN-UHFFFAOYSA-N 1 0 377.529 4.072 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[NH2+][C@H]1CCCO[C@H]1CC(C)C ZINC000411560707 823588124 /nfs/dbraw/zinc/58/81/24/823588124.db2.gz PMXNDDBYWMLXHR-SFTDATJTSA-N 1 0 398.551 4.001 20 0 GIADRO COc1ccccc1[C@H](O)C[NH2+][C@H](c1ccc(Br)s1)C1CC1 ZINC000190591413 823589119 /nfs/dbraw/zinc/58/91/19/823589119.db2.gz NKGNPTUDVMCWAQ-DYVFJYSZSA-N 1 0 382.323 4.294 20 0 GIADRO CC(C)C(=O)Nc1ccc(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)cc1 ZINC000061285971 823589582 /nfs/dbraw/zinc/58/95/82/823589582.db2.gz XGYMQPFJRWFUPN-UHFFFAOYSA-N 1 0 397.544 4.082 20 0 GIADRO CC(C)Cc1nc(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)cs1 ZINC000061286938 823589728 /nfs/dbraw/zinc/58/97/28/823589728.db2.gz DCMMCFZBWZXKAR-UHFFFAOYSA-N 1 0 389.590 4.185 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)[C@@H](NC(=O)c2ccccc2F)C(C)C)cc1 ZINC000190597017 823589907 /nfs/dbraw/zinc/58/99/07/823589907.db2.gz YRCMEGUZOZZJES-NRFANRHFSA-N 1 0 399.510 4.061 20 0 GIADRO CN(Cc1ccco1)C(=O)C[NH2+][C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000411602427 823589942 /nfs/dbraw/zinc/58/99/42/823589942.db2.gz CDTWCDRRJFEWGA-AEFFLSMTSA-N 1 0 380.410 4.183 20 0 GIADRO CN(Cc1ccco1)C(=O)C[NH2+][C@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000411602436 823590081 /nfs/dbraw/zinc/59/00/81/823590081.db2.gz CDTWCDRRJFEWGA-WMZOPIPTSA-N 1 0 380.410 4.183 20 0 GIADRO C[C@@H]([NH2+]CCC(=O)Nc1cc(F)cc(F)c1)c1nc2ccccc2n1C(F)F ZINC000411610298 823590729 /nfs/dbraw/zinc/59/07/29/823590729.db2.gz JJFGEPVDNKSIIT-LLVKDONJSA-N 1 0 394.372 4.389 20 0 GIADRO CC(=O)Nc1cccc(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)c1C ZINC000190607403 823590951 /nfs/dbraw/zinc/59/09/51/823590951.db2.gz JMEDBKZCLWZFME-QGZVFWFLSA-N 1 0 393.531 4.115 20 0 GIADRO Cc1cc(C)cc(OCC(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)c1 ZINC000061308716 823591071 /nfs/dbraw/zinc/59/10/71/823591071.db2.gz WQRSSGXRYFNDOX-UHFFFAOYSA-N 1 0 384.545 4.178 20 0 GIADRO CNC(=O)c1cccc(CC[NH2+][C@H](c2ccc(Br)s2)C2CC2)c1 ZINC000190609720 823591154 /nfs/dbraw/zinc/59/11/54/823591154.db2.gz PYRUYOAOXGWQEY-KRWDZBQOSA-N 1 0 393.350 4.154 20 0 GIADRO CC[C@H](NC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1c(C)noc1C ZINC000124374315 823591370 /nfs/dbraw/zinc/59/13/70/823591370.db2.gz CXTCHQYJQGKHFI-JXFKEZNVSA-N 1 0 384.524 4.267 20 0 GIADRO CC(C)[C@@H](CC(F)(F)F)[NH2+]CCC(=O)Nc1ccc(Br)cc1F ZINC000411621116 823591548 /nfs/dbraw/zinc/59/15/48/823591548.db2.gz XCIXFCFSYVXMKD-CYBMUJFWSA-N 1 0 399.226 4.483 20 0 GIADRO CCCOC(=O)c1ccc(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000061331540 823591753 /nfs/dbraw/zinc/59/17/53/823591753.db2.gz BMXQMFORYVWPON-LJQANCHMSA-N 1 0 399.491 4.195 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C)CC(F)F)c1ccc(C(F)(F)F)cc1 ZINC000411624507 823591960 /nfs/dbraw/zinc/59/19/60/823591960.db2.gz UCIZYHYBTISGHW-WFASDCNBSA-N 1 0 380.401 4.496 20 0 GIADRO Cc1c(F)cccc1NC(=O)CC[N@H+](Cc1ccc(F)cc1)C1CCOCC1 ZINC000411629183 823592300 /nfs/dbraw/zinc/59/23/00/823592300.db2.gz BJRAYUMNTVLPJB-UHFFFAOYSA-N 1 0 388.458 4.283 20 0 GIADRO O=C(CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)Nc1c(Cl)cccc1Cl ZINC000411630937 823592310 /nfs/dbraw/zinc/59/23/10/823592310.db2.gz KYYZRFZKIBLZJB-PJSAGSTRSA-N 1 0 383.319 4.259 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)N1CCc2c(F)cccc2C1 ZINC000124392860 823592861 /nfs/dbraw/zinc/59/28/61/823592861.db2.gz XVZVAJXOFQZLLC-UHFFFAOYSA-N 1 0 399.535 4.007 20 0 GIADRO Cn1c(CCC[NH2+]Cc2ccccc2OCc2cccnc2)nc2ccccc21 ZINC000124408507 823594180 /nfs/dbraw/zinc/59/41/80/823594180.db2.gz CJVZNQQAVXGBSO-UHFFFAOYSA-N 1 0 386.499 4.270 20 0 GIADRO O=C(CC[NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)Nc1ccc(Cl)cc1F ZINC000411650761 823594141 /nfs/dbraw/zinc/59/41/41/823594141.db2.gz RNBWVRCASJXGAY-PKOBYXMFSA-N 1 0 398.812 4.206 20 0 GIADRO Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+]CCc1nc2ccccc2c(=O)[nH]1 ZINC000411651235 823594227 /nfs/dbraw/zinc/59/42/27/823594227.db2.gz XIPFYCDJJWKKID-QGZVFWFLSA-N 1 0 375.394 4.470 20 0 GIADRO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)c1C ZINC000411652980 823594584 /nfs/dbraw/zinc/59/45/84/823594584.db2.gz VDDXPVKTSDBWJJ-IFCGJNOESA-N 1 0 388.895 4.179 20 0 GIADRO COc1ccccc1NC(=O)c1ccc(NC(=O)CC[NH2+][C@@H]2CCC[C@@H]2C)cc1 ZINC000411654100 823594687 /nfs/dbraw/zinc/59/46/87/823594687.db2.gz WYJYUFSNCBWRQM-QFBILLFUSA-N 1 0 395.503 4.054 20 0 GIADRO COc1ccccc1NC(=O)c1ccc(NC(=O)CC[NH2+][C@H]2CCC[C@H]2C)cc1 ZINC000411654098 823594730 /nfs/dbraw/zinc/59/47/30/823594730.db2.gz WYJYUFSNCBWRQM-APWZRJJASA-N 1 0 395.503 4.054 20 0 GIADRO Cc1c(F)cccc1NC(=O)CC[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000411655010 823594902 /nfs/dbraw/zinc/59/49/02/823594902.db2.gz ZXDTYJTXCVGXPP-UYAOXDASSA-N 1 0 376.859 4.236 20 0 GIADRO COC(=O)CC1([NH2+]Cc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)CCCC1 ZINC000411657122 823595101 /nfs/dbraw/zinc/59/51/01/823595101.db2.gz FOLYYBRTFBBRPX-UHFFFAOYSA-N 1 0 397.500 4.029 20 0 GIADRO C[C@H](NC(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1)c1cc2ccccc2o1 ZINC000190652631 823595173 /nfs/dbraw/zinc/59/51/73/823595173.db2.gz HIBDALXVJRSIMT-HKUYNNGSSA-N 1 0 392.503 4.052 20 0 GIADRO COc1ccc(CCCC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)cc1 ZINC000061397921 823595258 /nfs/dbraw/zinc/59/52/58/823595258.db2.gz MKCMWQYAALMJHX-UHFFFAOYSA-N 1 0 380.532 4.061 20 0 GIADRO Cc1cccc([C@@H](NC(=O)NCC(C)(C)[NH+]2CCCCC2)c2ccccn2)c1 ZINC000124454390 823597985 /nfs/dbraw/zinc/59/79/85/823597985.db2.gz CHHRYTKBZQOCDN-OAQYLSRUSA-N 1 0 380.536 4.043 20 0 GIADRO CCOc1c(Br)cc(C[NH2+][C@H](CCO)c2ccccc2)cc1OC ZINC000124460643 823598586 /nfs/dbraw/zinc/59/85/86/823598586.db2.gz YTLDDLQSFPTWLR-QGZVFWFLSA-N 1 0 394.309 4.070 20 0 GIADRO O=C(COC/C=C/c1ccccc1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000124467059 823599060 /nfs/dbraw/zinc/59/90/60/823599060.db2.gz YLSMTWDOCVURNQ-QPJJXVBHSA-N 1 0 398.934 4.151 20 0 GIADRO C[C@H](C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)Oc1cccc(F)c1 ZINC000124474258 823599714 /nfs/dbraw/zinc/59/97/14/823599714.db2.gz NPJJFISXMVHXTF-OAHLLOKOSA-N 1 0 390.886 4.141 20 0 GIADRO CC1CC[NH+](CCCNC(=O)N[C@@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000061498693 823599853 /nfs/dbraw/zinc/59/98/53/823599853.db2.gz GXLFPQZZFPNPKC-QGZVFWFLSA-N 1 0 381.973 4.298 20 0 GIADRO C[C@@H]([NH2+]CCC(=O)Nc1cccc(C(F)(F)F)c1)c1ccc2n[nH]cc2c1 ZINC000411724765 823600097 /nfs/dbraw/zinc/60/00/97/823600097.db2.gz MSAFHVSPYYINHQ-GFCCVEGCSA-N 1 0 376.382 4.261 20 0 GIADRO O=c1nc(C[NH2+][C@@H]2CCC[C@H]2OC(F)F)[nH]c2scc(-c3ccccc3)c21 ZINC000411726568 823600393 /nfs/dbraw/zinc/60/03/93/823600393.db2.gz YRABMYLIRZZISM-ZIAGYGMSSA-N 1 0 391.443 4.314 20 0 GIADRO CCN(CC[NH+]1CCCCCC1)[C@@H](C)c1nc2sc(C)c(C)c2c(=O)[nH]1 ZINC000411730879 823600797 /nfs/dbraw/zinc/60/07/97/823600797.db2.gz JOFYWZTZZFNPLN-HNNXBMFYSA-N 1 0 376.570 4.273 20 0 GIADRO O=C(CC[NH2+][C@@H](CCO)c1ccc(Cl)cc1)Nc1ccc(Cl)cc1F ZINC000411740206 823601154 /nfs/dbraw/zinc/60/11/54/823601154.db2.gz OLGZBGZGJKAMKT-INIZCTEOSA-N 1 0 385.266 4.174 20 0 GIADRO C[C@@H]1c2nnc(C3CCCC3)n2CCN1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411738202 823601234 /nfs/dbraw/zinc/60/12/34/823601234.db2.gz KJXUPJWZTXHZTN-LJQANCHMSA-N 1 0 393.579 4.498 20 0 GIADRO COc1cc([C@H](C)[NH2+]CCC(=O)N[C@@H](c2cccs2)c2ccccc2)ccn1 ZINC000411741975 823601309 /nfs/dbraw/zinc/60/13/09/823601309.db2.gz QHIDBUZIXILWFK-KSFYIVLOSA-N 1 0 395.528 4.098 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)[C@@H]3CCCc4sccc43)CC2)cc1 ZINC000124500346 823601830 /nfs/dbraw/zinc/60/18/30/823601830.db2.gz WTPQUCANQDVEJD-OAQYLSRUSA-N 1 0 398.572 4.205 20 0 GIADRO CN1CC[C@H]([NH2+]Cc2ccc(Br)cn2)[C@@H]1c1ccc(Cl)cc1 ZINC000411749956 823602186 /nfs/dbraw/zinc/60/21/86/823602186.db2.gz PUTXEBWVXDNFRE-IRXDYDNUSA-N 1 0 380.717 4.033 20 0 GIADRO O=C(Nc1ccc(Cl)cc1-c1ccccc1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000190724472 823602291 /nfs/dbraw/zinc/60/22/91/823602291.db2.gz LOVJVRSOCJIVBU-QGZVFWFLSA-N 1 0 399.922 4.193 20 0 GIADRO C[C@@H]([NH2+]C[C@H](C)Oc1cccc(F)c1)c1ccc(OCc2nccn2C)cc1 ZINC000124509653 823602330 /nfs/dbraw/zinc/60/23/30/823602330.db2.gz OEVAMXGPRHIEGX-DLBZAZTESA-N 1 0 383.467 4.256 20 0 GIADRO C[N@@H+]1CCCC[C@@H]1CCC(=O)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000461237708 823602348 /nfs/dbraw/zinc/60/23/48/823602348.db2.gz OWOJUVYINXKLOR-OAHLLOKOSA-N 1 0 380.414 4.094 20 0 GIADRO c1ncc(CCN(Cc2ccncc2)[C@H]2CCC[N@H+](Cc3ccccc3)C2)s1 ZINC000411754736 823602561 /nfs/dbraw/zinc/60/25/61/823602561.db2.gz HUWNRQRTXRHWJI-QFIPXVFZSA-N 1 0 392.572 4.247 20 0 GIADRO CC[NH+](CC)CCn1ccc2cc(NC(=O)CCc3scnc3C)ccc21 ZINC000411757723 823602835 /nfs/dbraw/zinc/60/28/35/823602835.db2.gz MLRODHYUWKVWRJ-UHFFFAOYSA-N 1 0 384.549 4.319 20 0 GIADRO CC1(C)C[C@@H](C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c2ccccc2O1 ZINC000411759582 823603026 /nfs/dbraw/zinc/60/30/26/823603026.db2.gz PYZROLZMXVFPBP-YLJYHZDGSA-N 1 0 398.572 4.421 20 0 GIADRO Brc1cncc([C@H]([NH2+]CCc2nc(-c3ccccc3)no2)C2CC2)c1 ZINC000411761369 823603128 /nfs/dbraw/zinc/60/31/28/823603128.db2.gz ADUVTYWKPJQRLG-GOSISDBHSA-N 1 0 399.292 4.178 20 0 GIADRO C[C@H]([NH2+]CCC(=O)Nc1ccc(Cl)cc1F)[C@@H]1OCCc2sccc21 ZINC000411763562 823603338 /nfs/dbraw/zinc/60/33/38/823603338.db2.gz ZCXWRPKJJZZFFP-VOJFVSQTSA-N 1 0 382.888 4.161 20 0 GIADRO CC(C)[C@@H]([NH2+]Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1)[C@@H](CO)C(C)C ZINC000411783211 823604378 /nfs/dbraw/zinc/60/43/78/823604378.db2.gz FMOJYJFOCPNCFW-SCLBCKFNSA-N 1 0 389.521 4.036 20 0 GIADRO CCOc1c(Br)cc(C[NH2+]CCc2cccc(F)c2)cc1OC ZINC000061581001 823605563 /nfs/dbraw/zinc/60/55/63/823605563.db2.gz MCAWQRGJIWNFIS-UHFFFAOYSA-N 1 0 382.273 4.328 20 0 GIADRO CC[C@H](Cc1cccc(Br)c1)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000461256064 823605880 /nfs/dbraw/zinc/60/58/80/823605880.db2.gz GFPLDRQLHZKZRY-MJGOQNOKSA-N 1 0 395.385 4.351 20 0 GIADRO Cc1ccc(C)c(C(=O)c2ccccc2C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000461255891 823605896 /nfs/dbraw/zinc/60/58/96/823605896.db2.gz FIOFRWFTOLGSTR-FQEVSTJZSA-N 1 0 392.543 4.481 20 0 GIADRO O=C(CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)Nc1ccccc1Oc1ccccc1 ZINC000411801843 823606104 /nfs/dbraw/zinc/60/61/04/823606104.db2.gz NKOCVBFLOWUNQM-CDNPAEQRSA-N 1 0 392.499 4.355 20 0 GIADRO O=C(CSCc1cc(-c2cccs2)on1)NCCC[NH+]1CCCCCC1 ZINC000061619960 823606403 /nfs/dbraw/zinc/60/64/03/823606403.db2.gz IVESIGFSAVAOMM-UHFFFAOYSA-N 1 0 393.578 4.019 20 0 GIADRO CCCOc1ccc(C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cc1OCCC ZINC000461257835 823606446 /nfs/dbraw/zinc/60/64/46/823606446.db2.gz OTAJYSQPWXMPTK-IBGZPJMESA-N 1 0 376.541 4.211 20 0 GIADRO CC1(C)CC(NC(=O)CSCc2cc(-c3cccs3)on2)CC(C)(C)[NH2+]1 ZINC000061620224 823606494 /nfs/dbraw/zinc/60/64/94/823606494.db2.gz YOCZVGKOIYRJJJ-UHFFFAOYSA-N 1 0 393.578 4.062 20 0 GIADRO O=C(Nc1cccc(C2SCCS2)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000124561534 823606568 /nfs/dbraw/zinc/60/65/68/823606568.db2.gz STDRNLYRAABSON-UHFFFAOYSA-N 1 0 377.579 4.257 20 0 GIADRO CC(C)[C@@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)Nc3cccc4[nH]ccc43)c2C1 ZINC000190769588 823606794 /nfs/dbraw/zinc/60/67/94/823606794.db2.gz CXVTULFOXOLRNK-OAHLLOKOSA-N 1 0 390.487 4.105 20 0 GIADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)CCSc1ccccc1Br ZINC000461260520 823607066 /nfs/dbraw/zinc/60/70/66/823607066.db2.gz BJFRTCKWGBTXAZ-HNNXBMFYSA-N 1 0 399.398 4.264 20 0 GIADRO COc1cc(NC(=O)CC[NH2+][C@@H](C)c2ccc(Cl)cc2)cc(OC)c1OC ZINC000411814555 823607498 /nfs/dbraw/zinc/60/74/98/823607498.db2.gz COFLFAZPYRLCRS-ZDUSSCGKSA-N 1 0 392.883 4.045 20 0 GIADRO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000461261912 823607615 /nfs/dbraw/zinc/60/76/15/823607615.db2.gz FRPPWHUZHOBEEY-CQSZACIVSA-N 1 0 393.890 4.389 20 0 GIADRO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000461261911 823607619 /nfs/dbraw/zinc/60/76/19/823607619.db2.gz FRPPWHUZHOBEEY-AWEZNQCLSA-N 1 0 393.890 4.389 20 0 GIADRO CCOc1ccc(Nc2ncccc2C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000461261875 823607663 /nfs/dbraw/zinc/60/76/63/823607663.db2.gz FINAVUGSQVGNIU-LJQANCHMSA-N 1 0 396.535 4.170 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)[C@H](Oc2ccc(F)c(F)c2)c2ccccc2)CC[N@@H+]1C ZINC000124579520 823608193 /nfs/dbraw/zinc/60/81/93/823608193.db2.gz XUAVKACOVDNVPH-LDBYXDLTSA-N 1 0 388.458 4.026 20 0 GIADRO C[C@@H](c1ccncc1)N(C)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000124590548 823609066 /nfs/dbraw/zinc/60/90/66/823609066.db2.gz VODIHTOHDWNGNL-IBGZPJMESA-N 1 0 380.536 4.360 20 0 GIADRO CC(C)[C@@H]([NH2+]CCC(=O)Nc1ccccc1C(F)(F)F)C1(CO)CCCC1 ZINC000411827151 823609277 /nfs/dbraw/zinc/60/92/77/823609277.db2.gz ZUHDHLVXVPDONU-GOSISDBHSA-N 1 0 386.458 4.201 20 0 GIADRO Cc1nnc(N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1Cc1cccs1 ZINC000461286205 823611865 /nfs/dbraw/zinc/61/18/65/823611865.db2.gz CTUHLWRUQFJWSG-XLIONFOSSA-N 1 0 395.576 4.186 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[NH2+][C@@H](C)c1cccc(C)c1 ZINC000411880440 823612341 /nfs/dbraw/zinc/61/23/41/823612341.db2.gz TUDAYOXEXXUVRM-KRWDZBQOSA-N 1 0 376.504 4.477 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc(C(=O)N(CC)CC)c1)c1ccccc1 ZINC000411887485 823613005 /nfs/dbraw/zinc/61/30/05/823613005.db2.gz OJUJALIBKCHFIL-UWJYYQICSA-N 1 0 381.520 4.237 20 0 GIADRO COCCN(C)c1ccc(CNc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cn1 ZINC000190820212 823613030 /nfs/dbraw/zinc/61/30/30/823613030.db2.gz AMDPNDBEKNUQSR-IBGZPJMESA-N 1 0 382.552 4.008 20 0 GIADRO Cc1ccc([C@H](CNC(=O)Nc2cccc(-n3cccn3)c2)[NH+]2CCCC2)cc1 ZINC000061771017 823613044 /nfs/dbraw/zinc/61/30/44/823613044.db2.gz XQQVOALQWSUSMV-QFIPXVFZSA-N 1 0 389.503 4.139 20 0 GIADRO COc1ccc2oc(C[NH2+]Cc3ccc(NC(=O)c4cccnc4)cc3)cc2c1 ZINC000124636615 823613109 /nfs/dbraw/zinc/61/31/09/823613109.db2.gz XWDNHWZFQFOQNA-UHFFFAOYSA-N 1 0 387.439 4.379 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](C(=O)NC(C)C)C2)cc1Br ZINC000124646130 823613810 /nfs/dbraw/zinc/61/38/10/823613810.db2.gz KXLVKXRHEUYGMO-NUEKZKHPSA-N 1 0 397.357 4.192 20 0 GIADRO CO[C@H]1c2ccccc2C[C@H]1[NH2+]CC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000411897901 823614008 /nfs/dbraw/zinc/61/40/08/823614008.db2.gz XHUXWRCPTURDCE-QAPCUYQASA-N 1 0 399.705 4.487 20 0 GIADRO O[C@@H]1C[C@@H](c2ccccc2)[N@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000411923249 823614565 /nfs/dbraw/zinc/61/45/65/823614565.db2.gz KMHRDOVDMBXKGV-APWZRJJASA-N 1 0 383.289 4.305 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000061791717 823614746 /nfs/dbraw/zinc/61/47/46/823614746.db2.gz NSEOPYBMBKGOQU-LEWJYISDSA-N 1 0 399.535 4.095 20 0 GIADRO Cc1cc(C(F)(F)F)ccc1C[NH2+]CCCS(=O)(=O)Cc1ccccc1 ZINC000190845317 823615672 /nfs/dbraw/zinc/61/56/72/823615672.db2.gz MFCLYENTXAMECO-UHFFFAOYSA-N 1 0 385.451 4.109 20 0 GIADRO O=C(CC[NH+]1CCC(c2c[nH]c3ccccc32)CC1)N1CCc2sccc2C1 ZINC000124671234 823615886 /nfs/dbraw/zinc/61/58/86/823615886.db2.gz OSGRKDWWDADNJQ-UHFFFAOYSA-N 1 0 393.556 4.384 20 0 GIADRO Cc1ccc2oc(C(=O)N(C)[C@@H]3CCCC[C@H]3[N@H+](C)C3CCN(C)CC3)cc2c1 ZINC000124676481 823616222 /nfs/dbraw/zinc/61/62/22/823616222.db2.gz WBNGSCSDWOPQKB-NHCUHLMSSA-N 1 0 397.563 4.150 20 0 GIADRO C[NH+](C)Cc1cc(CNC(=O)Nc2cc(Cl)c(N)c(Cl)c2)ccc1F ZINC000190852896 823616696 /nfs/dbraw/zinc/61/66/96/823616696.db2.gz JIGPBSDSNXUYML-UHFFFAOYSA-N 1 0 385.270 4.098 20 0 GIADRO COc1ccc(CNC(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)cc1F ZINC000061867834 823616794 /nfs/dbraw/zinc/61/67/94/823616794.db2.gz DPOJKIAQCITDNY-QGZVFWFLSA-N 1 0 399.510 4.208 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCCOc1cccc(Cl)c1 ZINC000061868934 823616935 /nfs/dbraw/zinc/61/69/35/823616935.db2.gz XCAXZRBALALODT-UHFFFAOYSA-N 1 0 389.927 4.058 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)c2cc3ccccc3n2Cc2ccccc2F)CC[N@@H+]1C ZINC000124681925 823617030 /nfs/dbraw/zinc/61/70/30/823617030.db2.gz JWSXECJOKHABIV-PXNSSMCTSA-N 1 0 393.506 4.383 20 0 GIADRO CO[C@@](C)([C@@H](C)[NH2+]Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1)C1CC1 ZINC000411978032 823617386 /nfs/dbraw/zinc/61/73/86/823617386.db2.gz YNYUGJQPJOBIOB-VGSWGCGISA-N 1 0 387.545 4.121 20 0 GIADRO CC[C@H](C)c1nnc(N(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)n1Cc1cccs1 ZINC000461325383 823617916 /nfs/dbraw/zinc/61/79/16/823617916.db2.gz QKVNPVLJBLXCGQ-LZLYRXPVSA-N 1 0 375.586 4.068 20 0 GIADRO CC(=O)N(c1nc(C[N@@H+]2C[C@H](c3ccccc3)C3(CCC3)C2)cs1)C1CC1 ZINC000411989026 823618497 /nfs/dbraw/zinc/61/84/97/823618497.db2.gz QVADJHPXWHPTEP-HXUWFJFHSA-N 1 0 381.545 4.428 20 0 GIADRO CC[C@H](C(=O)N[C@@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1)c1ccc(F)cc1 ZINC000461329299 823618508 /nfs/dbraw/zinc/61/85/08/823618508.db2.gz CCMVIKDOFPOXMZ-YTFSRNRJSA-N 1 0 396.506 4.422 20 0 GIADRO O=C(c1cccc(C[NH+]2CCCCC2)c1)N(Cc1cc[nH]n1)Cc1ccccc1 ZINC000411990003 823618604 /nfs/dbraw/zinc/61/86/04/823618604.db2.gz YMPNQVRAZDCGDJ-UHFFFAOYSA-N 1 0 388.515 4.238 20 0 GIADRO Cc1cc(C)c(Br)c(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c1 ZINC000461332586 823619045 /nfs/dbraw/zinc/61/90/45/823619045.db2.gz KZPZAWHBAVTIOB-PKOBYXMFSA-N 1 0 387.321 4.241 20 0 GIADRO O=C(C[C@@H](c1ccc(O)cc1)C1CC1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000411995426 823619117 /nfs/dbraw/zinc/61/91/17/823619117.db2.gz DGQRBLJTGQJQDO-AUSIDOKSSA-N 1 0 384.564 4.391 20 0 GIADRO CCC[NH+]1CCC(N(C)c2nnc(CC(C)(C)C)n2Cc2cccs2)CC1 ZINC000461334419 823619436 /nfs/dbraw/zinc/61/94/36/823619436.db2.gz QZYYQGBAIJMTEB-UHFFFAOYSA-N 1 0 389.613 4.287 20 0 GIADRO Cc1cc(C)c(Br)c(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000461335079 823619628 /nfs/dbraw/zinc/61/96/28/823619628.db2.gz YQZGMWAPLCGFME-QAPCUYQASA-N 1 0 391.353 4.155 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000061977490 823620887 /nfs/dbraw/zinc/62/08/87/823620887.db2.gz ZLLJBBUPMFPECM-UHFFFAOYSA-N 1 0 395.547 4.081 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)C(=O)Nc2ccc(C(C)(C)C)cc2)cc1 ZINC000061974063 823620954 /nfs/dbraw/zinc/62/09/54/823620954.db2.gz UPHFTCCKEVHKSD-UHFFFAOYSA-N 1 0 395.547 4.081 20 0 GIADRO OCC1([C@@H]([NH2+]Cc2ccccc2C(F)(F)F)c2ccccc2)CCOCC1 ZINC000412004594 823621165 /nfs/dbraw/zinc/62/11/65/823621165.db2.gz DDBOKNNQJSRAES-IBGZPJMESA-N 1 0 379.422 4.325 20 0 GIADRO COc1cc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCOCC2)ccc1SC ZINC000412006186 823621610 /nfs/dbraw/zinc/62/16/10/823621610.db2.gz CEYBWDXHARLMLZ-NRFANRHFSA-N 1 0 387.545 4.037 20 0 GIADRO O=C(c1ccccc1)N1CC[C@@H](C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)C1 ZINC000412006061 823621613 /nfs/dbraw/zinc/62/16/13/823621613.db2.gz BGVKAOJOMQNZHY-NFBKMPQASA-N 1 0 390.527 4.002 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@H]2CCC[C@H](C(=O)NC(C)C)C2)cnn1-c1ccc(F)cc1 ZINC000124730401 823621634 /nfs/dbraw/zinc/62/16/34/823621634.db2.gz FYULESGZOWFTHM-IEZWGBDMSA-N 1 0 386.515 4.054 20 0 GIADRO OCC1([C@@H]([NH2+]CCc2c(F)cccc2Cl)c2ccccc2)CCOCC1 ZINC000412009021 823622076 /nfs/dbraw/zinc/62/20/76/823622076.db2.gz IRBLKSFIGATDFK-FQEVSTJZSA-N 1 0 377.887 4.142 20 0 GIADRO Cc1nc2sccn2c(=O)c1CC[N@@H+](C)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000412008009 823622084 /nfs/dbraw/zinc/62/20/84/823622084.db2.gz JYJJJOFNFIPGMT-WOJBJXKFSA-N 1 0 381.545 4.265 20 0 GIADRO C[C@H]1CC[C@H](C[NH2+]C2(c3ccc(OCc4ccccc4)cc3)CCOCC2)O1 ZINC000190905539 823622330 /nfs/dbraw/zinc/62/23/30/823622330.db2.gz MMBBESYJENGPBU-WMZHIEFXSA-N 1 0 381.516 4.428 20 0 GIADRO Nc1ccc(F)c(NC(=O)CC[NH2+][C@@H](c2ccccc2)C2(CO)CCCCC2)c1 ZINC000412012085 823622426 /nfs/dbraw/zinc/62/24/26/823622426.db2.gz WNDZWDYPUKIUKR-QFIPXVFZSA-N 1 0 399.510 4.010 20 0 GIADRO OCC1([C@@H]([NH2+]CCOc2cccc3ccccc32)c2ccccc2)CCOCC1 ZINC000412014259 823622803 /nfs/dbraw/zinc/62/28/03/823622803.db2.gz WRQMXGJHXGYMIF-DEOSSOPVSA-N 1 0 391.511 4.339 20 0 GIADRO CCc1nc2ccccc2n1C1CC[NH+]([C@@H]2CCCN(CC(C)(C)C)C2=O)CC1 ZINC000461365538 823623570 /nfs/dbraw/zinc/62/35/70/823623570.db2.gz KXSRRJJMNVBPIY-OAQYLSRUSA-N 1 0 396.579 4.273 20 0 GIADRO COc1ccc(C[C@H](C)NC(=O)c2cccc(C[NH+]3CCCCC3)c2)cc1OC ZINC000412044090 823624055 /nfs/dbraw/zinc/62/40/55/823624055.db2.gz XCXJUIWDQUQAPS-SFHVURJKSA-N 1 0 396.531 4.051 20 0 GIADRO Cc1oc(-c2cccs2)nc1C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000062230149 823625141 /nfs/dbraw/zinc/62/51/41/823625141.db2.gz GXWLTQHVFMALHR-GOSISDBHSA-N 1 0 395.528 4.354 20 0 GIADRO Cc1cc(-c2nnc(C[N@@H+]3CCC[C@@H](CCC(=O)OC(C)(C)C)C3)o2)c(C)o1 ZINC000412063220 823625239 /nfs/dbraw/zinc/62/52/39/823625239.db2.gz IVTAVUNKHLALPQ-INIZCTEOSA-N 1 0 389.496 4.280 20 0 GIADRO Cc1ccccc1C1(C[NH2+][C@@H](C)C(=O)Nc2c(C)cccc2C)CCOCC1 ZINC000062240063 823625689 /nfs/dbraw/zinc/62/56/89/823625689.db2.gz BDQWFKTVCYUKQT-FQEVSTJZSA-N 1 0 380.532 4.277 20 0 GIADRO Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC000412080547 823625998 /nfs/dbraw/zinc/62/59/98/823625998.db2.gz VTWDBEYKPVJPRI-MOPGFXCFSA-N 1 0 388.552 4.464 20 0 GIADRO CCc1cccc(C)c1NC(=O)C[N@@H+]1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC000412082132 823626224 /nfs/dbraw/zinc/62/62/24/823626224.db2.gz XERZFCNLVHRLGE-SFHVURJKSA-N 1 0 388.552 4.330 20 0 GIADRO COc1c(C)cc(C[NH2+]Cc2cc(Br)c3c(c2)OCCO3)cc1C ZINC000062256603 823626637 /nfs/dbraw/zinc/62/66/37/823626637.db2.gz LODPWFLZMDBIBR-UHFFFAOYSA-N 1 0 392.293 4.136 20 0 GIADRO C[C@H](CC(F)F)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000412112074 823627140 /nfs/dbraw/zinc/62/71/40/823627140.db2.gz BCMACNONMJJXKB-HACGYAERSA-N 1 0 392.412 4.496 20 0 GIADRO O=C(N[C@@H]1CCc2c1ccc(Cl)c2Cl)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412114091 823627292 /nfs/dbraw/zinc/62/72/92/823627292.db2.gz IWTSHJJLXXERPP-CXAGYDPISA-N 1 0 399.387 4.314 20 0 GIADRO CCc1ccc([C@@H]2COCCN2C(=O)c2cccc(C[NH+]3CCCCC3)c2)o1 ZINC000412114154 823627295 /nfs/dbraw/zinc/62/72/95/823627295.db2.gz AMYUYAORMVARFC-NRFANRHFSA-N 1 0 382.504 4.042 20 0 GIADRO CCc1ccc([C@H]2COCCN2C(=O)c2cccc(C[NH+]3CCCCC3)c2)o1 ZINC000412114155 823627318 /nfs/dbraw/zinc/62/73/18/823627318.db2.gz AMYUYAORMVARFC-OAQYLSRUSA-N 1 0 382.504 4.042 20 0 GIADRO O=C(NC1CC[NH+](Cc2cccnc2)CC1)c1cccc(Cc2ccccc2)c1 ZINC000412114261 823627324 /nfs/dbraw/zinc/62/73/24/823627324.db2.gz RTEBRSLUASVEIA-UHFFFAOYSA-N 1 0 385.511 4.067 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@@H]2CCN(c3c(C)cc(C)cc3C)C2=O)c1 ZINC000190941193 823627816 /nfs/dbraw/zinc/62/78/16/823627816.db2.gz JFPSNZKMQOJYQM-DYESRHJHSA-N 1 0 379.504 4.026 20 0 GIADRO Cc1cc(C)c(N2CC[C@@H]([NH2+]CC3(c4ccccc4)CCOCC3)C2=O)c(C)c1 ZINC000190944202 823628295 /nfs/dbraw/zinc/62/82/95/823628295.db2.gz UURLIVRJIGVVQN-JOCHJYFZSA-N 1 0 392.543 4.055 20 0 GIADRO Cc1c(C[S@](C)=O)cccc1NC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412130491 823628658 /nfs/dbraw/zinc/62/86/58/823628658.db2.gz KVSZSOLMGKFSBE-MHZLTWQESA-N 1 0 384.545 4.112 20 0 GIADRO O=C(NC[C@H]1CCO[C@H]1c1ccccc1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412135959 823629224 /nfs/dbraw/zinc/62/92/24/823629224.db2.gz NGPFKBKPGQXZRD-PKTZIBPZSA-N 1 0 378.516 4.180 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)CC[N@@H+]1C ZINC000124834429 823629725 /nfs/dbraw/zinc/62/97/25/823629725.db2.gz XABIKINVFLWLKP-SFYZADRCSA-N 1 0 385.122 4.250 20 0 GIADRO c1c2c(sc1-c1nnc(CN3CC[NH+](C4CCCCC4)CC3)o1)CCCC2 ZINC000461400885 823629852 /nfs/dbraw/zinc/62/98/52/823629852.db2.gz XGJZDUNPKIBONW-UHFFFAOYSA-N 1 0 386.565 4.127 20 0 GIADRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)Nc1ccc(F)c(F)c1F ZINC000062372807 823630191 /nfs/dbraw/zinc/63/01/91/823630191.db2.gz DCSUJXVLBCQWSU-UHFFFAOYSA-N 1 0 385.817 4.353 20 0 GIADRO COc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)cc1Cl ZINC000062374135 823630521 /nfs/dbraw/zinc/63/05/21/823630521.db2.gz BJZBROCZGJJKJP-UHFFFAOYSA-N 1 0 397.853 4.223 20 0 GIADRO CO[C@@]1(C[NH2+]Cc2ccc(-c3ccc(Br)cc3)s2)CCOC1 ZINC000461408349 823630707 /nfs/dbraw/zinc/63/07/07/823630707.db2.gz NISITLALPGXBLS-QGZVFWFLSA-N 1 0 382.323 4.073 20 0 GIADRO O=C(Nc1ccc2c(c1)OCCCO2)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000062377234 823631081 /nfs/dbraw/zinc/63/10/81/823631081.db2.gz GZAPFJDPJNPFLH-UHFFFAOYSA-N 1 0 387.524 4.014 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1CC(C)(C)Oc2ccccc21 ZINC000412154948 823631113 /nfs/dbraw/zinc/63/11/13/823631113.db2.gz CVMQRNKUHAXUFI-COPCDDAFSA-N 1 0 392.543 4.358 20 0 GIADRO CSc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)cc1 ZINC000062379865 823631393 /nfs/dbraw/zinc/63/13/93/823631393.db2.gz CYKUSZGPTIUMOP-UHFFFAOYSA-N 1 0 379.476 4.282 20 0 GIADRO O=C(C[NH+]1CCCCCC1)Nc1ccc(NC(=O)C2(c3ccccc3)CC2)cc1 ZINC000124854244 823631410 /nfs/dbraw/zinc/63/14/10/823631410.db2.gz QUSMQVVGIZTEDJ-UHFFFAOYSA-N 1 0 391.515 4.171 20 0 GIADRO C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412160047 823631665 /nfs/dbraw/zinc/63/16/65/823631665.db2.gz IXYBQXSCRPDNKD-KWMCUTETSA-N 1 0 398.572 4.243 20 0 GIADRO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cc(Cl)sc1Cl ZINC000190966957 823632032 /nfs/dbraw/zinc/63/20/32/823632032.db2.gz FHGUNOGVTYCPLV-CQSZACIVSA-N 1 0 399.343 4.076 20 0 GIADRO O=C(CCCOc1ccc(Cl)cc1Cl)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000461417052 823632060 /nfs/dbraw/zinc/63/20/60/823632060.db2.gz GNSLGTOHLSMPSV-INIZCTEOSA-N 1 0 399.362 4.487 20 0 GIADRO O=C(CCCc1ccc(F)c(F)c1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461420425 823632750 /nfs/dbraw/zinc/63/27/50/823632750.db2.gz ARFJNXUBRFAHRX-RTWAWAEBSA-N 1 0 398.497 4.268 20 0 GIADRO COCCc1nc2cc(NC(=O)c3cccc(C[NH+]4CCCCC4)c3)ccc2o1 ZINC000412176518 823632977 /nfs/dbraw/zinc/63/29/77/823632977.db2.gz QIEOXQRHXYKKGK-UHFFFAOYSA-N 1 0 393.487 4.255 20 0 GIADRO O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N1CCC[C@]2(CCCc3ccccc32)C1 ZINC000412181511 823633471 /nfs/dbraw/zinc/63/34/71/823633471.db2.gz YIFNQQSZVXQFIG-XUZZJYLKSA-N 1 0 398.616 4.101 20 0 GIADRO CC(C)[C@H](CNC(=O)N1CC2(CCOCC2)c2ccccc21)[NH+]1CCC(C)CC1 ZINC000190976818 823633503 /nfs/dbraw/zinc/63/35/03/823633503.db2.gz JVKDVLLESDUXQB-QFIPXVFZSA-N 1 0 399.579 4.021 20 0 GIADRO O=C(NC1(c2c(Cl)cccc2Cl)CC1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412188504 823634018 /nfs/dbraw/zinc/63/40/18/823634018.db2.gz SRKABPLEZZJHEV-AWEZNQCLSA-N 1 0 399.387 4.316 20 0 GIADRO COc1ccccc1NC(=O)C1CC[NH+](C[C@@H]2CCC3(CCCCC3)O2)CC1 ZINC000190986080 823634813 /nfs/dbraw/zinc/63/48/13/823634813.db2.gz MDQWWYCYTGEHKA-IBGZPJMESA-N 1 0 386.536 4.228 20 0 GIADRO COc1ccc2cc(C[NH2+][C@H](C)c3cccc(NS(C)(=O)=O)c3)ccc2c1 ZINC000062421283 823634803 /nfs/dbraw/zinc/63/48/03/823634803.db2.gz SMJGNDIAMCWOKJ-OAHLLOKOSA-N 1 0 384.501 4.071 20 0 GIADRO CN(C(=O)C[C@@H](c1ccc(O)cc1)C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000412198708 823634949 /nfs/dbraw/zinc/63/49/49/823634949.db2.gz WWVVPJYHVCBYOF-JTHBVZDNSA-N 1 0 378.516 4.009 20 0 GIADRO CN(C(=O)C[C@H](c1ccc(O)cc1)C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000412198704 823635018 /nfs/dbraw/zinc/63/50/18/823635018.db2.gz WWVVPJYHVCBYOF-GGAORHGYSA-N 1 0 378.516 4.009 20 0 GIADRO O=C(N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)C1(Cc2ccccc2F)CC1 ZINC000461430347 823635313 /nfs/dbraw/zinc/63/53/13/823635313.db2.gz PJKAYFNNBJHGDM-YADHBBJMSA-N 1 0 392.518 4.129 20 0 GIADRO CCSc1cccc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000461431131 823635469 /nfs/dbraw/zinc/63/54/69/823635469.db2.gz QTTIWKRRZMRFJC-LEWJYISDSA-N 1 0 380.557 4.393 20 0 GIADRO CCc1ccc(-c2nc(CC(=O)N3CC[C@H](C[NH+]4CCCCC4)C3)cs2)cc1 ZINC000461430416 823635562 /nfs/dbraw/zinc/63/55/62/823635562.db2.gz 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CCC(CC)n1nc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1C ZINC000461434298 823636499 /nfs/dbraw/zinc/63/64/99/823636499.db2.gz XWMCNTBNNGKUII-LEWJYISDSA-N 1 0 394.563 4.147 20 0 GIADRO Cc1ccc2nc(C)c(C(=O)N3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@@H]4C3)cc2c1 ZINC000461435708 823636735 /nfs/dbraw/zinc/63/67/35/823636735.db2.gz KDDCDHGVGUQOGZ-JTHBVZDNSA-N 1 0 399.538 4.446 20 0 GIADRO O=C(CCc1ccnc2ccccc12)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461435432 823636835 /nfs/dbraw/zinc/63/68/35/823636835.db2.gz IMBRDYZDXDZDTE-XZOQPEGZSA-N 1 0 399.538 4.148 20 0 GIADRO CC1(C)CC[C@@H](CNC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)c2ccccc21 ZINC000412222352 823636898 /nfs/dbraw/zinc/63/68/98/823636898.db2.gz BXGJPUFOKSKBCG-OALUTQOASA-N 1 0 386.605 4.175 20 0 GIADRO O=C([C@@H]1C[C@@H]1c1c(F)cccc1F)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461435928 823636944 /nfs/dbraw/zinc/63/69/44/823636944.db2.gz LQKPTQCEVTZOHR-YSTOQKLRSA-N 1 0 396.481 4.049 20 0 GIADRO 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ZINC000461439326 823637555 /nfs/dbraw/zinc/63/75/55/823637555.db2.gz QTZRXPQQKXSVSP-FCHUYYIVSA-N 1 0 380.557 4.144 20 0 GIADRO C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[C@@H]2c2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000412230141 823637638 /nfs/dbraw/zinc/63/76/38/823637638.db2.gz KSJLNTQPLNLTDT-NYUBLWNDSA-N 1 0 386.898 4.392 20 0 GIADRO O=C(c1c2c(sc1-n1cccc1)CCCC2)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000461439409 823637682 /nfs/dbraw/zinc/63/76/82/823637682.db2.gz RGDWJMITUZNLAG-GOSISDBHSA-N 1 0 397.588 4.366 20 0 GIADRO CC(C)(C)Oc1ccc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000461439573 823637704 /nfs/dbraw/zinc/63/77/04/823637704.db2.gz SKYPHLJKKZYPLG-FCHUYYIVSA-N 1 0 392.543 4.458 20 0 GIADRO O=C(c1cc2c(s1)-c1ccccc1CC2)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000461439565 823637711 /nfs/dbraw/zinc/63/77/11/823637711.db2.gz SJAQRXYEYKYWOM-KRWDZBQOSA-N 1 0 380.557 4.462 20 0 GIADRO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)c1ccc(F)cc1 ZINC000461440172 823637947 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RBKDHMSVXDFSSV-UHFFFAOYSA-N 1 0 385.527 4.015 20 0 GIADRO O=C(c1cc(C2CCCCC2)n[nH]1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461450842 823640427 /nfs/dbraw/zinc/64/04/27/823640427.db2.gz RNBBSTCLTLDRCD-NHCUHLMSSA-N 1 0 392.547 4.052 20 0 GIADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)N(Cc2c(F)cccc2F)C2CC2)C1 ZINC000191035496 823640705 /nfs/dbraw/zinc/64/07/05/823640705.db2.gz IAKSVFGJFXDCPQ-MRXNPFEDSA-N 1 0 379.495 4.151 20 0 GIADRO O=C(CCOc1ccc(Cl)c(Cl)c1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000461453257 823640764 /nfs/dbraw/zinc/64/07/64/823640764.db2.gz ZGMHOEGLLNJDAN-OAHLLOKOSA-N 1 0 385.335 4.097 20 0 GIADRO O=C(c1ccc(C(F)(F)F)cc1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461454193 823641122 /nfs/dbraw/zinc/64/11/22/823641122.db2.gz GQYQPFXKXSJXRW-RBUKOAKNSA-N 1 0 388.433 4.300 20 0 GIADRO O=C(N[C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412262871 823641252 /nfs/dbraw/zinc/64/12/52/823641252.db2.gz YGOYCTKLVVUISL-GOTSBHOMSA-N 1 0 396.506 4.462 20 0 GIADRO Cc1nc2ccccc2cc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461457768 823641646 /nfs/dbraw/zinc/64/16/46/823641646.db2.gz RFZDNOWYBGYYGS-FGZHOGPDSA-N 1 0 385.511 4.137 20 0 GIADRO O=C(NC[C@@H]1CCO[C@H]1c1ccc(F)cc1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412269321 823641774 /nfs/dbraw/zinc/64/17/74/823641774.db2.gz KSJWUPFAHHEIEZ-GMAHTHKFSA-N 1 0 396.506 4.319 20 0 GIADRO Cc1ccsc1CCCC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461458805 823641842 /nfs/dbraw/zinc/64/18/42/823641842.db2.gz VJFXQMNAQYHIIG-NHCUHLMSSA-N 1 0 382.573 4.360 20 0 GIADRO Cc1cccc(C(C)C)c1NC(=O)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000062637675 823642779 /nfs/dbraw/zinc/64/27/79/823642779.db2.gz MFNAGRDXEQVXGB-UHFFFAOYSA-N 1 0 399.579 4.218 20 0 GIADRO CCS(=O)(=O)CCCCC[NH2+]C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000191057633 823643581 /nfs/dbraw/zinc/64/35/81/823643581.db2.gz NNEDCFYBWUTANV-UHFFFAOYSA-N 1 0 377.472 4.279 20 0 GIADRO CC[C@H](Nc1ccccc1)C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000461471881 823643748 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/nfs/dbraw/zinc/65/01/65/823650165.db2.gz ROBWSODZYCRTEG-HIFRSBDPSA-N 1 0 384.998 4.113 20 0 GIADRO O=C(NCCc1cc(C(F)(F)F)ccn1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412366182 823650169 /nfs/dbraw/zinc/65/01/69/823650169.db2.gz QMTLBAGUNKLEQX-UHFFFAOYSA-N 1 0 391.437 4.059 20 0 GIADRO C[C@@H](Oc1ccccc1Cl)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000063080380 823650340 /nfs/dbraw/zinc/65/03/40/823650340.db2.gz QQNXYFWAUAREEQ-QGZVFWFLSA-N 1 0 386.923 4.136 20 0 GIADRO COc1cccc(O[C@@H](C)C[NH2+][C@H](C)c2ccc(OCc3nccn3C)cc2)c1 ZINC000125080942 823650354 /nfs/dbraw/zinc/65/03/54/823650354.db2.gz MAACRQFGFUILIQ-ZWKOTPCHSA-N 1 0 395.503 4.126 20 0 GIADRO O=C(c1cccc(C[NH+]2CCCCC2)c1)N1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000412382523 823651268 /nfs/dbraw/zinc/65/12/68/823651268.db2.gz WLKPPJDDHQMNKV-YADHBBJMSA-N 1 0 382.548 4.094 20 0 GIADRO COc1cc(C[NH2+][C@H]2CCOc3c(F)cccc32)ccc1OCc1ccncc1 ZINC000191122577 823651431 /nfs/dbraw/zinc/65/14/31/823651431.db2.gz JHBOBVCILZGMBY-FQEVSTJZSA-N 1 0 394.446 4.422 20 0 GIADRO O=C(c1ccc(C[NH+]2CCSCC2)cc1)N1CC(c2cccc(Cl)c2)C1 ZINC000412390567 823652080 /nfs/dbraw/zinc/65/20/80/823652080.db2.gz VYRLZHOFLKJNLW-UHFFFAOYSA-N 1 0 386.948 4.128 20 0 GIADRO O=C(N[C@@H]1CCO[C@@H](c2cccs2)C1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412393857 823652583 /nfs/dbraw/zinc/65/25/83/823652583.db2.gz PMFFPOKPJQHZCV-WOJBJXKFSA-N 1 0 384.545 4.384 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)N2CCC(Oc3ccc(F)nc3)CC2)cc1)C(C)C ZINC000191140379 823653157 /nfs/dbraw/zinc/65/31/57/823653157.db2.gz ATZORSNDANWSMP-UHFFFAOYSA-N 1 0 399.510 4.135 20 0 GIADRO COc1ccc2c(c1)CN(C(=O)Nc1ccc(CC[NH+]3CCCCC3)cc1)CC2 ZINC000063160749 823653344 /nfs/dbraw/zinc/65/33/44/823653344.db2.gz MAEPABDCHWJUFR-UHFFFAOYSA-N 1 0 393.531 4.314 20 0 GIADRO CN(c1ccc(NC(=O)N2CCC([NH+](C)C)CC2)cc1F)C1CCCCC1 ZINC000125181376 823657167 /nfs/dbraw/zinc/65/71/67/823657167.db2.gz ZDVJRPXGOQEEBB-UHFFFAOYSA-N 1 0 376.520 4.153 20 0 GIADRO CCc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC000191188974 823657732 /nfs/dbraw/zinc/65/77/32/823657732.db2.gz IVKBIAPDTUALRX-KFKAGJAMSA-N 1 0 389.540 4.002 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)c3c(F)cccc3Cl)CC2)cc1 ZINC000063263039 823657978 /nfs/dbraw/zinc/65/79/78/823657978.db2.gz IFQISSUTRDQDIJ-UHFFFAOYSA-N 1 0 390.886 4.130 20 0 GIADRO Cc1ccc(Cl)cc1C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000125191061 823658075 /nfs/dbraw/zinc/65/80/75/823658075.db2.gz MEDKVWRTWUPHJJ-IBGZPJMESA-N 1 0 399.922 4.067 20 0 GIADRO O=C(Nc1ccccc1O)C1CC[NH+](Cc2ccc(OCC3CC3)cc2)CC1 ZINC000191193686 823658124 /nfs/dbraw/zinc/65/81/24/823658124.db2.gz JGYZHTLJWRPYDF-UHFFFAOYSA-N 1 0 380.488 4.032 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)CCSc3ccccc3)CC2)cc1 ZINC000063263923 823658144 /nfs/dbraw/zinc/65/81/44/823658144.db2.gz LATMCHVDCRXKHI-UHFFFAOYSA-N 1 0 398.572 4.206 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(Oc2cccnc2)cc1 ZINC000063264981 823658358 /nfs/dbraw/zinc/65/83/58/823658358.db2.gz XVCGXNRKXUVLDO-UHFFFAOYSA-N 1 0 387.483 4.400 20 0 GIADRO O=C(CCc1ccc(-c2ccccc2)[nH]1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000063271997 823658774 /nfs/dbraw/zinc/65/87/74/823658774.db2.gz MULBMUCGJXEJJK-UHFFFAOYSA-N 1 0 379.548 4.385 20 0 GIADRO Cc1ccc(C[N@@H+](CCCOc2ccc(S(C)(=O)=O)cc2)C(C)C)s1 ZINC000063286989 823660000 /nfs/dbraw/zinc/66/00/00/823660000.db2.gz DPKUYYFSJYJDOO-UHFFFAOYSA-N 1 0 381.563 4.140 20 0 GIADRO CCC1CCC([N@H+](CCCOc2ccc(S(C)(=O)=O)cc2)C2CC2)CC1 ZINC000063286595 823660029 /nfs/dbraw/zinc/66/00/29/823660029.db2.gz NJJCVVJSPPDEQN-UHFFFAOYSA-N 1 0 379.566 4.292 20 0 GIADRO CCC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1)c1ccsc1 ZINC000191219475 823660126 /nfs/dbraw/zinc/66/01/26/823660126.db2.gz QDEDRXNAELLUOW-LJQANCHMSA-N 1 0 380.579 4.408 20 0 GIADRO CCc1ccc([C@H](CC)[NH2+]Cc2ccccc2CS(=O)(=O)NC(C)C)cc1 ZINC000125224806 823660397 /nfs/dbraw/zinc/66/03/97/823660397.db2.gz WGAHXCJSISXRJA-QFIPXVFZSA-N 1 0 388.577 4.318 20 0 GIADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@H](O)c1ccc(C(C)(C)C)cc1 ZINC000125230404 823660762 /nfs/dbraw/zinc/66/07/62/823660762.db2.gz ZVEIYSMYBWNPGV-KDOFPFPSSA-N 1 0 389.927 4.073 20 0 GIADRO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H](O)c1cccc(Br)c1 ZINC000063297638 823660876 /nfs/dbraw/zinc/66/08/76/823660876.db2.gz VOLVNGFYUYBKHI-SFHVURJKSA-N 1 0 391.265 4.079 20 0 GIADRO COC(=O)[C@H](C)c1cccc(NC(=O)c2oc3ccccc3c2C[NH+](C)C)c1 ZINC000412552660 823661543 /nfs/dbraw/zinc/66/15/43/823661543.db2.gz UTVKEKQVCJDQME-CQSZACIVSA-N 1 0 380.444 4.023 20 0 GIADRO CCOc1c(Br)cc(C[NH2+]C2CC=CC2)cc1Br ZINC000125239469 823661566 /nfs/dbraw/zinc/66/15/66/823661566.db2.gz MTJIGXFYHHKXPD-UHFFFAOYSA-N 1 0 375.104 4.419 20 0 GIADRO CCOc1ccc(C(=O)CCC(=O)Nc2ccc(C[NH+](C)C)cc2F)cc1F ZINC000412558402 823662221 /nfs/dbraw/zinc/66/22/21/823662221.db2.gz KWPBIDNHGOOEDY-UHFFFAOYSA-N 1 0 390.430 4.027 20 0 GIADRO Cc1cc(NC(=O)NC2CC[NH+](CC3CCCC3)CC2)n(Cc2ccccc2)n1 ZINC000063321413 823662289 /nfs/dbraw/zinc/66/22/89/823662289.db2.gz CDFOVYGEBFIRJC-UHFFFAOYSA-N 1 0 395.551 4.016 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000412562217 823662575 /nfs/dbraw/zinc/66/25/75/823662575.db2.gz HJDIKNKKBXEQAS-UHFFFAOYSA-N 1 0 397.302 4.124 20 0 GIADRO C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000412563079 823662752 /nfs/dbraw/zinc/66/27/52/823662752.db2.gz YPNWXCKOMOGIMD-GFCCVEGCSA-N 1 0 384.373 4.312 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)[C@@H](C)c1cc2ccccc2o1 ZINC000412562871 823662826 /nfs/dbraw/zinc/66/28/26/823662826.db2.gz JJKILOPVEWSGKO-HNNXBMFYSA-N 1 0 382.460 4.124 20 0 GIADRO Cc1c([C@H](C)[NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cnn1C(C)(C)C ZINC000191251597 823663469 /nfs/dbraw/zinc/66/34/69/823663469.db2.gz NMOXPAXXKQAIDQ-RDJZCZTQSA-N 1 0 378.561 4.244 20 0 GIADRO Cc1c([C@@H](C)[NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cnn1C(C)(C)C ZINC000191251580 823663519 /nfs/dbraw/zinc/66/35/19/823663519.db2.gz NMOXPAXXKQAIDQ-WBVHZDCISA-N 1 0 378.561 4.244 20 0 GIADRO COc1cc([C@H](C)[NH2+]C[C@H](O)c2ccc(C(C)(C)C)cc2)cc(OC)c1OC ZINC000125269160 823663595 /nfs/dbraw/zinc/66/35/95/823663595.db2.gz WPWAJUDWAFLUIO-KXBFYZLASA-N 1 0 387.520 4.394 20 0 GIADRO C[C@@H](C(=O)Nc1ccc(C[NH+](C)C)cc1F)c1cccc(Br)c1 ZINC000412580207 823664127 /nfs/dbraw/zinc/66/41/27/823664127.db2.gz QMMIWBACBUAPMA-GFCCVEGCSA-N 1 0 379.273 4.392 20 0 GIADRO Cc1cc(C(=O)N2CCC([N@@H+]3CCC[C@H]3C)CC2)ccc1NC(=O)CC(C)C ZINC000125277477 823664367 /nfs/dbraw/zinc/66/43/67/823664367.db2.gz MMJNDLHSWWXYBC-GOSISDBHSA-N 1 0 385.552 4.069 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)CCc2ccc(Br)cc2F)CC1 ZINC000063340471 823664447 /nfs/dbraw/zinc/66/44/47/823664447.db2.gz HTVXWOFRLGTVAR-UHFFFAOYSA-N 1 0 399.348 4.100 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)c1ccc(C(C)(C)C)cc1)c1cccc(N2CCOC2=O)c1 ZINC000125280319 823664537 /nfs/dbraw/zinc/66/45/37/823664537.db2.gz TVEQHMPCWMMIID-HRAATJIYSA-N 1 0 382.504 4.325 20 0 GIADRO Cc1c([C@H](C)[NH2+]CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)cnn1C(C)(C)C ZINC000191274970 823666269 /nfs/dbraw/zinc/66/62/69/823666269.db2.gz CJIHWZCWXNBVHT-RDJZCZTQSA-N 1 0 378.561 4.244 20 0 GIADRO C[C@@H](NC(=O)CCc1ccc(Cl)c(Cl)c1)C1([NH+]2CCOCC2)CCCC1 ZINC000461588675 823666294 /nfs/dbraw/zinc/66/62/94/823666294.db2.gz IZZHKABCKXWJCW-OAHLLOKOSA-N 1 0 399.362 4.076 20 0 GIADRO Cc1c([C@H](C)[NH2+]Cc2cccc(COC3CCOCC3)c2)cnn1C(C)(C)C ZINC000191281419 823666944 /nfs/dbraw/zinc/66/69/44/823666944.db2.gz PCBWLPJGSRRGFZ-KRWDZBQOSA-N 1 0 385.552 4.493 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccc(C(C)(C)C)cc2)cc1NC(C)=O ZINC000125310935 823666997 /nfs/dbraw/zinc/66/69/97/823666997.db2.gz ZAEJHELSMOPPDO-QVKFZJNVSA-N 1 0 384.520 4.335 20 0 GIADRO CCCN(CCC[NH+](C)C)C(=O)Nc1cccc(NC(=O)c2ccccc2)c1 ZINC000191281755 823667116 /nfs/dbraw/zinc/66/71/16/823667116.db2.gz OLUPZWGVYPMBIT-UHFFFAOYSA-N 1 0 382.508 4.135 20 0 GIADRO CCc1nc(CN2CCC(C[NH2+]Cc3cc4cc(OC)ccc4o3)CC2)cs1 ZINC000125350549 823670003 /nfs/dbraw/zinc/67/00/03/823670003.db2.gz MAAOSCCKDOXRMJ-UHFFFAOYSA-N 1 0 399.560 4.462 20 0 GIADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)Cc1csc(-c2ccccc2Cl)n1 ZINC000461615022 823671383 /nfs/dbraw/zinc/67/13/83/823671383.db2.gz RNAGZQNEAHVECR-CQSZACIVSA-N 1 0 379.957 4.243 20 0 GIADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)Cc1csc(-c2ccc(Cl)s2)n1 ZINC000461616951 823671558 /nfs/dbraw/zinc/67/15/58/823671558.db2.gz DSBQCGLTNVGGSF-GFCCVEGCSA-N 1 0 385.986 4.304 20 0 GIADRO CCCNC(=O)C1CC[NH+](Cc2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000125386723 823672319 /nfs/dbraw/zinc/67/23/19/823672319.db2.gz PEROZHCDUUDLEU-UHFFFAOYSA-N 1 0 383.517 4.295 20 0 GIADRO C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccccc2NC(=O)c2cccs2)CC1 ZINC000125392270 823672812 /nfs/dbraw/zinc/67/28/12/823672812.db2.gz PRFTXCYWZSOPBV-MRXNPFEDSA-N 1 0 397.544 4.089 20 0 GIADRO C[C@@H]1c2ccsc2CCN1C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000063464007 823673189 /nfs/dbraw/zinc/67/31/89/823673189.db2.gz UJRAASMRUKULPX-IEBWSBKVSA-N 1 0 383.561 4.289 20 0 GIADRO FC(F)(F)c1ccc2c(c1)[nH+]ccc2N1CCC(OC2CCOCC2)CC1 ZINC000125408499 823673871 /nfs/dbraw/zinc/67/38/71/823673871.db2.gz SMASADITNWTVHA-UHFFFAOYSA-N 1 0 380.410 4.418 20 0 GIADRO CCN(CCC[NH+](C)C)C(=O)Nc1ccc(N2CCc3sccc3C2)cc1 ZINC000191348684 823675074 /nfs/dbraw/zinc/67/50/74/823675074.db2.gz PFSCTSDQJROSRW-UHFFFAOYSA-N 1 0 386.565 4.116 20 0 GIADRO CCCN(CCC[NH+](C)C)C(=O)Nc1ccc(N2CCSCC2)c(Cl)c1 ZINC000191350030 823675259 /nfs/dbraw/zinc/67/52/59/823675259.db2.gz YXVXRFIEERXBOD-UHFFFAOYSA-N 1 0 399.004 4.089 20 0 GIADRO C[C@@H](c1ccccc1Br)N(C)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000125428469 823675494 /nfs/dbraw/zinc/67/54/94/823675494.db2.gz SVDTWBUGOQRBPZ-FHERZECASA-N 1 0 396.373 4.272 20 0 GIADRO C[NH+](C)CCN(CCCc1ccccc1)C(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC000063485838 823675453 /nfs/dbraw/zinc/67/54/53/823675453.db2.gz WMJWYUZCKITQNE-UHFFFAOYSA-N 1 0 383.923 4.458 20 0 GIADRO CC[C@H](C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1)C1CCC(C)CC1 ZINC000461660061 823676469 /nfs/dbraw/zinc/67/64/69/823676469.db2.gz MLLZTIKIZGGORQ-HCPAQRILSA-N 1 0 386.580 4.112 20 0 GIADRO Cc1cc(C)n(Cc2cccc(C(=O)NC[C@@H](C(C)C)[NH+]3CCC(C)CC3)c2)n1 ZINC000063505615 823676695 /nfs/dbraw/zinc/67/66/95/823676695.db2.gz JDCCZHLRFOJLRB-QHCPKHFHSA-N 1 0 396.579 4.035 20 0 GIADRO CC[C@H](C(=O)N(CC)[C@@H](c1cccnc1)c1ccc(F)c(F)c1)[NH+](CC)CC ZINC000461664230 823677332 /nfs/dbraw/zinc/67/73/32/823677332.db2.gz RDRKHQBWUGXZRS-NHCUHLMSSA-N 1 0 389.490 4.418 20 0 GIADRO Cn1cc(C[N@H+](C)Cc2ccccc2OC(F)(F)F)c(-c2cccnc2)n1 ZINC000125459613 823677907 /nfs/dbraw/zinc/67/79/07/823677907.db2.gz WSTPYZGESDYVPV-UHFFFAOYSA-N 1 0 376.382 4.013 20 0 GIADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@@H]1c2ccccc2O[C@@H]1C ZINC000461668038 823678041 /nfs/dbraw/zinc/67/80/41/823678041.db2.gz UWJAMRLXBDOUMF-UZLBHIALSA-N 1 0 387.549 4.124 20 0 GIADRO CCC(CC)n1ncc(C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1C ZINC000125463592 823678165 /nfs/dbraw/zinc/67/81/65/823678165.db2.gz STHRIPQPEJTBAV-HXUWFJFHSA-N 1 0 382.552 4.147 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccc(OC(C)C)cc2)cc1 ZINC000125464445 823678214 /nfs/dbraw/zinc/67/82/14/823678214.db2.gz VMRTXJKZVKTJKR-UZUQRXQVSA-N 1 0 379.504 4.352 20 0 GIADRO O[C@H](COc1cccc(C(F)(F)F)c1)C[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000063549429 823678923 /nfs/dbraw/zinc/67/89/23/823678923.db2.gz XVJJEFMUALOTSF-HKUYNNGSSA-N 1 0 383.385 4.421 20 0 GIADRO Cc1c([C@@H](C)[NH2+]Cc2ccc(COC3CCOCC3)cc2)cnn1C(C)(C)C ZINC000191389688 823679362 /nfs/dbraw/zinc/67/93/62/823679362.db2.gz LGTCBMYOZWZMDM-QGZVFWFLSA-N 1 0 385.552 4.493 20 0 GIADRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+]Cc3cccc4ccccc43)cc2)C[C@H](C)O1 ZINC000063561774 823679623 /nfs/dbraw/zinc/67/96/23/823679623.db2.gz NFFQHAXBTULEID-KDURUIRLSA-N 1 0 388.511 4.379 20 0 GIADRO COc1ccccc1[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC(OC2CCCCC2)CC1 ZINC000125482504 823679807 /nfs/dbraw/zinc/67/98/07/823679807.db2.gz HCJXMQQBPKXADR-MSOLQXFVSA-N 1 0 388.552 4.075 20 0 GIADRO Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000461679206 823680001 /nfs/dbraw/zinc/68/00/01/823680001.db2.gz BXOZLKACKKJCST-CYBMUJFWSA-N 1 0 379.957 4.478 20 0 GIADRO CC[C@@H](C(=O)N1CC2(CCOCC2)[C@@H]1c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000412751244 823680687 /nfs/dbraw/zinc/68/06/87/823680687.db2.gz ZAUXHROINIRPHB-GOTSBHOMSA-N 1 0 392.543 4.277 20 0 GIADRO Cc1c([C@@H](C)[NH2+][C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)cnn1C(C)C ZINC000191401649 823681112 /nfs/dbraw/zinc/68/11/12/823681112.db2.gz NBTAZLLQLRFTEG-KZULUSFZSA-N 1 0 378.879 4.021 20 0 GIADRO C[N@H+](Cc1cc(F)cc2cccnc21)[C@@H](CO)c1cccc(Br)c1 ZINC000125542738 823683829 /nfs/dbraw/zinc/68/38/29/823683829.db2.gz SRHYAPRIAMTRLY-SFHVURJKSA-N 1 0 389.268 4.302 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NCc3c(O)ccc(Cl)c3F)cc2F)CC1 ZINC000191425643 823683884 /nfs/dbraw/zinc/68/38/84/823683884.db2.gz ZYAJWHINGTVFDN-UHFFFAOYSA-N 1 0 395.881 4.466 20 0 GIADRO COC(=O)c1ccc(OC(C)C)c(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000063621577 823684023 /nfs/dbraw/zinc/68/40/23/823684023.db2.gz AMCRHXYDWJOHJG-UHFFFAOYSA-N 1 0 396.487 4.109 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@H]2CCCN(c3ccc(C)cc3)C2)cc1NC(C)=O ZINC000125553704 823684817 /nfs/dbraw/zinc/68/48/17/823684817.db2.gz NLDTUALCLLREHK-PXNSSMCTSA-N 1 0 381.520 4.282 20 0 GIADRO C[C@H](NC(=O)c1cn(Cc2ccccc2)c2ccccc12)C(C)(C)C[NH+](C)C ZINC000461710762 823685762 /nfs/dbraw/zinc/68/57/62/823685762.db2.gz IHHCLOKDUZJGQM-SFHVURJKSA-N 1 0 377.532 4.396 20 0 GIADRO C[C@@H]([NH2+]Cc1nccn1-c1ccccc1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000191456211 823687108 /nfs/dbraw/zinc/68/71/08/823687108.db2.gz JBPCNRKWDRLVRH-NTKDMRAZSA-N 1 0 391.515 4.287 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(Br)o1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000191456385 823687339 /nfs/dbraw/zinc/68/73/39/823687339.db2.gz SOJUONMRTJVVMG-KUHUBIRLSA-N 1 0 394.309 4.457 20 0 GIADRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NCC(C)(C)c2cccnc2)c1 ZINC000412888282 823688609 /nfs/dbraw/zinc/68/86/09/823688609.db2.gz WEGLOOVFVMYNAM-UHFFFAOYSA-N 1 0 387.527 4.421 20 0 GIADRO CCCn1ccnc1CCC[N@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000191471119 823688808 /nfs/dbraw/zinc/68/88/08/823688808.db2.gz VJDMSXVFPJILDE-IRXDYDNUSA-N 1 0 390.959 4.077 20 0 GIADRO O=C(CCOc1cccc(F)c1)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000063679438 823688966 /nfs/dbraw/zinc/68/89/66/823688966.db2.gz ZBUMWPOPYZVERY-UHFFFAOYSA-N 1 0 384.495 4.287 20 0 GIADRO CCCn1ccnc1CCC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000191483257 823689680 /nfs/dbraw/zinc/68/96/80/823689680.db2.gz GIOCAKWPQAHXOI-OAHLLOKOSA-N 1 0 396.457 4.204 20 0 GIADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2SCc2cscn2)C1 ZINC000063693879 823689710 /nfs/dbraw/zinc/68/97/10/823689710.db2.gz JCBQXTCVIOEFGU-MRXNPFEDSA-N 1 0 389.590 4.286 20 0 GIADRO Cc1ccc(C(=O)c2ccccc2C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000063693887 823689817 /nfs/dbraw/zinc/68/98/17/823689817.db2.gz CYHYKRUBZNBBFV-IBGZPJMESA-N 1 0 378.516 4.076 20 0 GIADRO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000063695275 823689974 /nfs/dbraw/zinc/68/99/74/823689974.db2.gz LDNZGLPAZFRKEA-CQSZACIVSA-N 1 0 393.890 4.293 20 0 GIADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(C3SCCCS3)cc2)C1 ZINC000063695450 823690005 /nfs/dbraw/zinc/69/00/05/823690005.db2.gz RJSHHLMKERFYMY-INIZCTEOSA-N 1 0 378.607 4.406 20 0 GIADRO Cc1noc(C)c1CSc1ccccc1C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000063706919 823690366 /nfs/dbraw/zinc/69/03/66/823690366.db2.gz JHGJKSANADMMTL-KRWDZBQOSA-N 1 0 387.549 4.044 20 0 GIADRO COc1ncccc1C[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000191493530 823691043 /nfs/dbraw/zinc/69/10/43/823691043.db2.gz XLGMADCUWLRENZ-GOSISDBHSA-N 1 0 391.309 4.110 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(CN3CCCC3=O)c1)CCS2 ZINC000191495080 823691189 /nfs/dbraw/zinc/69/11/89/823691189.db2.gz QMVABHXETPKCJY-HXUWFJFHSA-N 1 0 382.529 4.144 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(-n3nc(C)cc3C)nc1)CCS2 ZINC000191497423 823691584 /nfs/dbraw/zinc/69/15/84/823691584.db2.gz CXTJQUSSCMSBFK-LJQANCHMSA-N 1 0 380.517 4.219 20 0 GIADRO CCCn1ccnc1CCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(Cl)c1Cl ZINC000191497836 823691604 /nfs/dbraw/zinc/69/16/04/823691604.db2.gz JYESUKFMXKHNPK-AWEZNQCLSA-N 1 0 397.350 4.492 20 0 GIADRO CCCOc1c(Cl)cc(C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cc1OCC ZINC000063727371 823692178 /nfs/dbraw/zinc/69/21/78/823692178.db2.gz GGYAXFRWSCKIDJ-UHFFFAOYSA-N 1 0 396.959 4.474 20 0 GIADRO CC1=NN(c2ccc(C(=O)N3CCC(C[NH+]4CCCCCC4)CC3)cc2)CC1 ZINC000063745499 823693175 /nfs/dbraw/zinc/69/31/75/823693175.db2.gz KHSZKGMRTUMPTQ-UHFFFAOYSA-N 1 0 382.552 4.001 20 0 GIADRO C[C@H](CNC(=O)c1ccccc1SCc1cscn1)[N@@H+]1CCC[C@H](C)C1 ZINC000063749576 823693355 /nfs/dbraw/zinc/69/33/55/823693355.db2.gz BIZPRJCHHOTZGW-JKSUJKDBSA-N 1 0 389.590 4.286 20 0 GIADRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NC[C@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000461766759 823693388 /nfs/dbraw/zinc/69/33/88/823693388.db2.gz XYADHWNHVYTIFT-KKSHJYNMSA-N 1 0 399.579 4.203 20 0 GIADRO COc1ccc(C[N@H+](Cc2ccc(O)c(OC)c2)C2CC2)cc1OC(F)F ZINC000191509768 823693424 /nfs/dbraw/zinc/69/34/24/823693424.db2.gz KEUNGBLTYWIVNN-UHFFFAOYSA-N 1 0 379.403 4.175 20 0 GIADRO COc1ccc2c(c1)[C@@H]([NH2+]CCc1cc(F)cc3c1OCOC3)CCS2 ZINC000191510023 823693606 /nfs/dbraw/zinc/69/36/06/823693606.db2.gz XLCDZVPQQVGCHQ-SFHVURJKSA-N 1 0 375.465 4.070 20 0 GIADRO CC(C)(C)C[C@@H](O)C[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000191515910 823694420 /nfs/dbraw/zinc/69/44/20/823694420.db2.gz STDZVOBAGFVPGD-MSOLQXFVSA-N 1 0 384.358 4.304 20 0 GIADRO CCCc1noc2nc(C3CC3)cc(C(=O)N(C)CC[N@H+](C)C3CCCCC3)c12 ZINC000063771270 823694534 /nfs/dbraw/zinc/69/45/34/823694534.db2.gz RKXFDXOECKPOQV-UHFFFAOYSA-N 1 0 398.551 4.389 20 0 GIADRO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1cc(-c2cccc(Cl)c2)on1 ZINC000063771383 823694563 /nfs/dbraw/zinc/69/45/63/823694563.db2.gz CPPMRYIPWCGWAA-UHFFFAOYSA-N 1 0 375.900 4.332 20 0 GIADRO CCN(CCC[NH+](C)C)C(=O)Nc1ccc2nc(Cc3ccccc3)oc2c1 ZINC000191517440 823694580 /nfs/dbraw/zinc/69/45/80/823694580.db2.gz HICKKPASSHTMON-UHFFFAOYSA-N 1 0 380.492 4.224 20 0 GIADRO COc1ccc(C(C)(C)C[NH2+][C@H](C)C(=O)Nc2ccc(F)cc2Cl)cc1 ZINC000063774592 823694919 /nfs/dbraw/zinc/69/49/19/823694919.db2.gz AUMLQJCOHQXRGZ-CYBMUJFWSA-N 1 0 378.875 4.382 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)Nc1ccc2c(c1)OCCO2 ZINC000063777746 823695261 /nfs/dbraw/zinc/69/52/61/823695261.db2.gz OALAEMCMWXPJIU-UHFFFAOYSA-N 1 0 395.503 4.156 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C)cc1O[C@H]1CCOC1)CCS2 ZINC000191525251 823695307 /nfs/dbraw/zinc/69/53/07/823695307.db2.gz HZCUYMOHUSBZMP-AZUAARDMSA-N 1 0 385.529 4.498 20 0 GIADRO C[C@@H](CNC(=O)COC(c1ccccc1)c1ccccc1)C[NH+]1CCCCC1 ZINC000063782398 823695471 /nfs/dbraw/zinc/69/54/71/823695471.db2.gz MXKIILAAOVUDIB-FQEVSTJZSA-N 1 0 380.532 4.031 20 0 GIADRO CC(C)[N@H+](C)CCCNC(=O)c1[nH]c2ccc(Br)cc2c1Cl ZINC000063782509 823695517 /nfs/dbraw/zinc/69/55/17/823695517.db2.gz PDLQXVSYMVZKEL-UHFFFAOYSA-N 1 0 386.721 4.044 20 0 GIADRO CC[NH+]1CCC(N[C@H](C)c2cccc(NC(=O)Cc3ccccc3F)c2)CC1 ZINC000461790976 823695945 /nfs/dbraw/zinc/69/59/45/823695945.db2.gz LDWLWRVSSVSJGC-QGZVFWFLSA-N 1 0 383.511 4.142 20 0 GIADRO COCC[C@H](Cc1cccc(F)c1)[NH2+][C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000191531510 823696350 /nfs/dbraw/zinc/69/63/50/823696350.db2.gz BHIZSDJGGJCKCM-IFXJQAMLSA-N 1 0 387.430 4.313 20 0 GIADRO CCCCn1c(SC[C@@H]2CCCC[N@@H+]2C(C)C)nnc1[C@@H](CC)N(C)C ZINC000412979826 823696568 /nfs/dbraw/zinc/69/65/68/823696568.db2.gz DCFUZHJYTNHQBM-ZWKOTPCHSA-N 1 0 381.634 4.446 20 0 GIADRO CC[C@@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1cc(Cl)ccc1OC ZINC000125696177 823697677 /nfs/dbraw/zinc/69/76/77/823697677.db2.gz RKOPXWQLXVAQNB-GOSISDBHSA-N 1 0 381.925 4.134 20 0 GIADRO C[C@@H]1CC([NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)C[C@@H](C)O1 ZINC000191539646 823697743 /nfs/dbraw/zinc/69/77/43/823697743.db2.gz JHPKGNGCGIYXMI-PJIJBLCYSA-N 1 0 382.342 4.462 20 0 GIADRO Oc1ccccc1-c1nc(SCc2cccc(C[NH+]3CCCCC3)c2)n[nH]1 ZINC000412993311 823698621 /nfs/dbraw/zinc/69/86/21/823698621.db2.gz VTUOGMIWAIAAOU-UHFFFAOYSA-N 1 0 380.517 4.456 20 0 GIADRO C[NH+](C)CCN(C(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1ccccc1 ZINC000063829321 823700050 /nfs/dbraw/zinc/70/00/50/823700050.db2.gz PQIQXHSJVXRDDE-UHFFFAOYSA-N 1 0 399.441 4.147 20 0 GIADRO COc1ccc([C@@H]2CCCN2C(=O)C[NH2+]C(C)(C)CC(C)(C)C)cc1OC ZINC000125726161 823700785 /nfs/dbraw/zinc/70/07/85/823700785.db2.gz ASLXQKXDFJNGMV-KRWDZBQOSA-N 1 0 376.541 4.172 20 0 GIADRO Cc1cnc(CC[NH2+][C@@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)c(C)c1 ZINC000574315796 823701335 /nfs/dbraw/zinc/70/13/35/823701335.db2.gz BJMDNABLRHNNKT-HXUWFJFHSA-N 1 0 378.438 4.251 20 0 GIADRO C[N@H+](CCO)C1CCN(Cc2ccccc2Oc2ccc(F)cc2Cl)CC1 ZINC000461818619 823701649 /nfs/dbraw/zinc/70/16/49/823701649.db2.gz RPUPEALPPNBXRY-UHFFFAOYSA-N 1 0 392.902 4.160 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)[C@@H](C)C(=O)Nc3cc(C)ccc3C)C2)s1 ZINC000574320386 823702165 /nfs/dbraw/zinc/70/21/65/823702165.db2.gz PDVNSFUQGTZBKA-VQTJNVASSA-N 1 0 399.604 4.454 20 0 GIADRO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000163335295 823702250 /nfs/dbraw/zinc/70/22/50/823702250.db2.gz RUWYQOZGRZBPNF-RDTXWAMCSA-N 1 0 378.563 4.272 20 0 GIADRO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)C1 ZINC000063852609 823702339 /nfs/dbraw/zinc/70/23/39/823702339.db2.gz DAWLKLOCXXJYFG-GOSISDBHSA-N 1 0 389.499 4.470 20 0 GIADRO CCN(c1ccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1)C(C)C ZINC000063854676 823702691 /nfs/dbraw/zinc/70/26/91/823702691.db2.gz IJWSSALVLFNSRB-UHFFFAOYSA-N 1 0 379.548 4.447 20 0 GIADRO C[C@H](NC1CC[NH+](CCc2ccccc2)CC1)c1nc(C2CCCCC2)no1 ZINC000191580809 823703896 /nfs/dbraw/zinc/70/38/96/823703896.db2.gz FYFXNMLQXLZOTL-SFHVURJKSA-N 1 0 382.552 4.475 20 0 GIADRO COC(=O)[C@](C)(C[NH2+][C@H](C)CC(=O)Nc1ccccc1C(C)C)c1ccccc1 ZINC000191581645 823704247 /nfs/dbraw/zinc/70/42/47/823704247.db2.gz NENWVNKQXYBZFK-HOYKHHGWSA-N 1 0 396.531 4.248 20 0 GIADRO Cc1cccc([C@H](NC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)C(F)(F)F)c1 ZINC000163374054 823704833 /nfs/dbraw/zinc/70/48/33/823704833.db2.gz UXYDEOCEYBPNEU-WMZOPIPTSA-N 1 0 383.458 4.116 20 0 GIADRO CO[C@@H](c1ccccc1Cl)[C@@H](C)NC(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000574341391 823705185 /nfs/dbraw/zinc/70/51/85/823705185.db2.gz FWTXPSUZBQBSAG-OXQOHEQNSA-N 1 0 395.975 4.178 20 0 GIADRO CC[C@@H](C(=O)N(Cc1ccccc1)[C@H](C)c1cccc(NC(C)=O)c1)[NH+](C)C ZINC000413093931 823706117 /nfs/dbraw/zinc/70/61/17/823706117.db2.gz APGBVBANNOCVQH-VGSWGCGISA-N 1 0 381.520 4.075 20 0 GIADRO C[C@H](NC(=O)[C@H](C)[NH+]1CCC(OCCc2ccccc2)CC1)c1ccc(F)cc1 ZINC000125768129 823706293 /nfs/dbraw/zinc/70/62/93/823706293.db2.gz VSCITGWVYUIXPV-OALUTQOASA-N 1 0 398.522 4.115 20 0 GIADRO COCC[C@@H](Cc1cccc(F)c1)[NH2+][C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000191596977 823707349 /nfs/dbraw/zinc/70/73/49/823707349.db2.gz CKDLCVAUAJAHGF-JXFKEZNVSA-N 1 0 383.467 4.098 20 0 GIADRO Cc1c([C@@H](C)[NH2+]C2CCN(C(=O)CC(C)C)CC2)cnn1-c1cc(C)ccc1C ZINC000163415001 823707494 /nfs/dbraw/zinc/70/74/94/823707494.db2.gz NKKHNKHJDZYTCP-LJQANCHMSA-N 1 0 396.579 4.485 20 0 GIADRO C[C@@H]([NH2+]Cc1ccnc(N2CCCC2)c1)c1ccc(Br)cc1F ZINC000125775789 823707515 /nfs/dbraw/zinc/70/75/15/823707515.db2.gz IVYJAIQZTOJIKU-CYBMUJFWSA-N 1 0 378.289 4.434 20 0 GIADRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccccn1)c1ccc(F)c2ccccc21 ZINC000574356470 823707558 /nfs/dbraw/zinc/70/75/58/823707558.db2.gz UQWMLIBFXKQCLF-QGZVFWFLSA-N 1 0 394.494 4.208 20 0 GIADRO COCCOCCC[NH2+][C@H](C)c1cnn(-c2ccc(Cl)cc2Cl)c1C ZINC000163417420 823707836 /nfs/dbraw/zinc/70/78/36/823707836.db2.gz YFPIZRNEPQJWIM-CYBMUJFWSA-N 1 0 386.323 4.191 20 0 GIADRO C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)C[C@@H]([NH3+])c2ccccc2)cc1Cl ZINC000163423797 823708213 /nfs/dbraw/zinc/70/82/13/823708213.db2.gz WJXAUGDWSXSBBO-FOIQADDNSA-N 1 0 399.922 4.383 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1ccc(Br)c(Cl)c1)c1cccs1 ZINC000163430181 823708471 /nfs/dbraw/zinc/70/84/71/823708471.db2.gz OFPJJKQRENUVLH-CYBMUJFWSA-N 1 0 387.730 4.197 20 0 GIADRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1ccccc1OC[C@H]1CCCO1 ZINC000163429081 823708508 /nfs/dbraw/zinc/70/85/08/823708508.db2.gz XBYXAXGFERSWGH-HXUWFJFHSA-N 1 0 394.515 4.401 20 0 GIADRO Cc1ccc(C)c([C@@H]2CCCN2Cn2nc(-c3ccccn3)n(C)c2=S)c1 ZINC000163435234 823708783 /nfs/dbraw/zinc/70/87/83/823708783.db2.gz PYTUSXZZZZGNKX-IBGZPJMESA-N 1 0 379.533 4.425 20 0 GIADRO CCc1ccc([C@H](CNC(=O)Nc2ccc(NC(=O)C3CC3)cc2)[NH+](C)C)cc1 ZINC000125783593 823709498 /nfs/dbraw/zinc/70/94/98/823709498.db2.gz RTHYTMUCHCGIOR-NRFANRHFSA-N 1 0 394.519 4.022 20 0 GIADRO CCOc1cc2c(cc1NC(=O)c1cccc(C[NH+]3CCCC3)c1)O[C@@H](C)C2 ZINC000063914065 823710590 /nfs/dbraw/zinc/71/05/90/823710590.db2.gz WGVNBRYPBGYNMX-INIZCTEOSA-N 1 0 380.488 4.257 20 0 GIADRO CC(C)[C@@H]([NH2+][C@H]1CCCc2ccc(S(N)(=O)=O)cc21)c1ccc(Cl)cc1 ZINC000574369902 823710913 /nfs/dbraw/zinc/71/09/13/823710913.db2.gz SSBGUGXQDKYVET-VQTJNVASSA-N 1 0 392.952 4.352 20 0 GIADRO COC(=O)COc1c(C)cc(C[NH2+]Cc2ccc3[nH]c(C)c(C)c3c2)cc1C ZINC000063916539 823711102 /nfs/dbraw/zinc/71/11/02/823711102.db2.gz YYBCQSHLJAXWFV-UHFFFAOYSA-N 1 0 380.488 4.243 20 0 GIADRO CCCCOc1ccc(CNC(=O)c2cccc(C[NH+]3CCCC3)c2)cc1OC ZINC000063915893 823711127 /nfs/dbraw/zinc/71/11/27/823711127.db2.gz NDPVYMSXSOVVLZ-UHFFFAOYSA-N 1 0 396.531 4.400 20 0 GIADRO CCCN(C)c1ccc(C(=O)N2c3ccc(C)cc3[C@H]3C[N@@H+](C)CC[C@@H]32)cc1 ZINC000063917794 823711629 /nfs/dbraw/zinc/71/16/29/823711629.db2.gz DWYNXXAEYRMERU-GGAORHGYSA-N 1 0 377.532 4.289 20 0 GIADRO OCC[C@]1(C[NH2+][C@@H](Cc2ccc(F)cc2)c2ccccc2Cl)CCOC1 ZINC000125793257 823711995 /nfs/dbraw/zinc/71/19/95/823711995.db2.gz FKEIDURDSOVBMP-LEWJYISDSA-N 1 0 377.887 4.142 20 0 GIADRO CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@@H](C)C[C@H](C)O ZINC000125795580 823712588 /nfs/dbraw/zinc/71/25/88/823712588.db2.gz PGQNAYVUYVQRKA-GJZGRUSLSA-N 1 0 394.357 4.255 20 0 GIADRO CCc1nc(C(C)C)ccc1C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000574382188 823714964 /nfs/dbraw/zinc/71/49/64/823714964.db2.gz RLMNRSVCPYHZKU-UHFFFAOYSA-N 1 0 394.563 4.470 20 0 GIADRO O=C(N[C@@H](CCc1ccccc1)c1ccccc1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000574383955 823715147 /nfs/dbraw/zinc/71/51/47/823715147.db2.gz XMANUZJSYIXPBZ-LADGPHEKSA-N 1 0 377.532 4.146 20 0 GIADRO Cc1nc(-c2cc([C@H](C)[NH2+][C@H]3CCN(CC(F)(F)F)C3)cs2)cs1 ZINC000125803766 823715285 /nfs/dbraw/zinc/71/52/85/823715285.db2.gz ARWPLIBMYIZSGA-GWCFXTLKSA-N 1 0 375.485 4.467 20 0 GIADRO COc1ccc(-c2nc3c(s2)[C@@H]([NH2+]CCC(=O)N2CCCCC2)CCC3)cc1 ZINC000163517071 823717534 /nfs/dbraw/zinc/71/75/34/823717534.db2.gz SYCFTHGZXRGUIN-SFHVURJKSA-N 1 0 399.560 4.188 20 0 GIADRO CCOc1ccccc1[C@H](CC)NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000125816478 823718248 /nfs/dbraw/zinc/71/82/48/823718248.db2.gz WIPNLSZEEAQRFC-JRGCBEDISA-N 1 0 385.552 4.195 20 0 GIADRO CCc1nn(C)c(CC)c1C[NH2+][C@H](C)c1ccc(Br)cc1OC ZINC000191629988 823718554 /nfs/dbraw/zinc/71/85/54/823718554.db2.gz OBJWKQOITIMOKW-GFCCVEGCSA-N 1 0 380.330 4.167 20 0 GIADRO O=C(c1ccc(Oc2ccccc2Cl)nc1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000574396411 823718927 /nfs/dbraw/zinc/71/89/27/823718927.db2.gz ZMZZLMYBUKGZGY-SFHVURJKSA-N 1 0 385.895 4.132 20 0 GIADRO CCO[C@@H](C)c1nc(CN(C)c2cc[nH+]c3cc(OC)c(OC)cc32)cs1 ZINC000413169704 823720063 /nfs/dbraw/zinc/72/00/63/823720063.db2.gz OBNFCNCFYZHDFG-ZDUSSCGKSA-N 1 0 387.505 4.442 20 0 GIADRO CCc1c(NC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cnn1-c1ccccc1C ZINC000191636042 823721008 /nfs/dbraw/zinc/72/10/08/823721008.db2.gz ZNXBZKJIBXGSST-IBGZPJMESA-N 1 0 395.551 4.083 20 0 GIADRO CCc1c(NC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cnn1-c1ccccc1C ZINC000191636027 823721136 /nfs/dbraw/zinc/72/11/36/823721136.db2.gz ZNXBZKJIBXGSST-LJQANCHMSA-N 1 0 395.551 4.083 20 0 GIADRO CCc1c(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cnn1-c1ccccc1C ZINC000191646611 823722887 /nfs/dbraw/zinc/72/28/87/823722887.db2.gz QVGHLQDGLUXWSN-MOPGFXCFSA-N 1 0 395.551 4.222 20 0 GIADRO c1ccc(CN2C[C@@H](c3ccccc3)[C@H]([NH2+]CCCO[C@H]3CCCCO3)C2)cc1 ZINC000574416337 823723651 /nfs/dbraw/zinc/72/36/51/823723651.db2.gz QMOXPPOANYQQKD-GVAUOCQISA-N 1 0 394.559 4.178 20 0 GIADRO CCn1c(C2CCC2)nnc1N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000574416783 823724190 /nfs/dbraw/zinc/72/41/90/823724190.db2.gz XDQOHFFJEJDTFS-UHFFFAOYSA-N 1 0 375.520 4.041 20 0 GIADRO CCN(Cc1occc1C)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000413196320 823725583 /nfs/dbraw/zinc/72/55/83/823725583.db2.gz DODADCWWIVDHRV-UHFFFAOYSA-N 1 0 375.538 4.093 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[N@H+](C)CCCCS(C)(=O)=O ZINC000163586969 823725672 /nfs/dbraw/zinc/72/56/72/823725672.db2.gz MHVMCHIOFHDVFC-MRXNPFEDSA-N 1 0 380.579 4.245 20 0 GIADRO COc1ccc(C(C)(C)C(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC000574423418 823725897 /nfs/dbraw/zinc/72/58/97/823725897.db2.gz SRDCNNQYMMKDIJ-VWLOTQADSA-N 1 0 392.543 4.097 20 0 GIADRO c1ccc2c(c1)[nH]c1c2CCC[C@@H]1[NH2+]Cc1ccc(CN2CCOCC2)cc1 ZINC000574433742 823727590 /nfs/dbraw/zinc/72/75/90/823727590.db2.gz BSVIBHSUMZIFBK-QHCPKHFHSA-N 1 0 375.516 4.167 20 0 GIADRO Cc1cc(Br)cc(C[NH+]2CCC(Oc3ccc(F)nc3)CC2)c1O ZINC000191675147 823729410 /nfs/dbraw/zinc/72/94/10/823729410.db2.gz QQHMMUYUARBLSF-UHFFFAOYSA-N 1 0 395.272 4.041 20 0 GIADRO O[C@H](COc1cc(Cl)ccc1Cl)C[NH+]1CCC(c2ccncc2)CC1 ZINC000191674443 823729420 /nfs/dbraw/zinc/72/94/20/823729420.db2.gz QKWAHRHVDKPUQC-KRWDZBQOSA-N 1 0 381.303 4.008 20 0 GIADRO [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)CC3(CCc4ccccc4)CCCC3)CC2)C1 ZINC000574441735 823731284 /nfs/dbraw/zinc/73/12/84/823731284.db2.gz BGDGFTHSJUAYAP-DHIUTWEWSA-N 1 0 398.591 4.315 20 0 GIADRO Cc1ccc([C@H](OC[C@H](O)C[NH2+][C@@H]2CCO[C@@H](C3CC3)C2)c2ccccc2)cc1 ZINC000574446145 823732286 /nfs/dbraw/zinc/73/22/86/823732286.db2.gz REQTUMSPNZIROZ-ZGFBMJKBSA-N 1 0 395.543 4.009 20 0 GIADRO CC1(C(=O)N[C@H]2CCCN(c3ccccc3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000163666212 823734522 /nfs/dbraw/zinc/73/45/22/823734522.db2.gz ZEUBNZQYPDVXQJ-QFIPXVFZSA-N 1 0 391.559 4.074 20 0 GIADRO COc1cccc(F)c1C(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000461877806 823734635 /nfs/dbraw/zinc/73/46/35/823734635.db2.gz WAJCNHFDZGIZKZ-CALCHBBNSA-N 1 0 384.495 4.242 20 0 GIADRO O=C(c1ccc(Oc2ccncc2)c(Cl)c1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000574455596 823734982 /nfs/dbraw/zinc/73/49/82/823734982.db2.gz FFRLBVZOCMSILV-VQIMIIECSA-N 1 0 385.895 4.132 20 0 GIADRO CCN(CCC[NH+](C)C)C(=O)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F ZINC000191689641 823735005 /nfs/dbraw/zinc/73/50/05/823735005.db2.gz YKUDYNXMXQBUQH-AWEZNQCLSA-N 1 0 399.379 4.292 20 0 GIADRO Cc1ccc(C(=O)N2C[C@H](C)C[C@H](C)C2)cc1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC000461880238 823736202 /nfs/dbraw/zinc/73/62/02/823736202.db2.gz FKQSWQBAVGXWKA-HDICACEKSA-N 1 0 399.579 4.172 20 0 GIADRO CCNC(=O)c1ccc(C[NH2+]Cc2cccc(OCc3ccc(F)cc3)c2)cc1 ZINC000163688244 823737541 /nfs/dbraw/zinc/73/75/41/823737541.db2.gz KQVXSBHRCGFMDJ-UHFFFAOYSA-N 1 0 392.474 4.444 20 0 GIADRO CCCN(C)c1ccc(C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000064035273 823737888 /nfs/dbraw/zinc/73/78/88/823737888.db2.gz VTFWOJQYDNBRAU-UHFFFAOYSA-N 1 0 379.548 4.236 20 0 GIADRO COCOc1ccc(OC)cc1CNCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000163694719 823738222 /nfs/dbraw/zinc/73/82/22/823738222.db2.gz DIZLRGQDHYWCHS-LJQANCHMSA-N 1 0 398.547 4.200 20 0 GIADRO COc1ccc2c(c1)C[C@H]([NH2+][C@H](c1cncc(Br)c1)C1CC1)CC2 ZINC000574469988 823738808 /nfs/dbraw/zinc/73/88/08/823738808.db2.gz WTLDAWJEZGVGTO-QUCCMNQESA-N 1 0 387.321 4.451 20 0 GIADRO CC(=O)CC(C)(C)CC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000191697286 823738977 /nfs/dbraw/zinc/73/89/77/823738977.db2.gz ADMPGSFQQOBNDN-UHFFFAOYSA-N 1 0 380.532 4.427 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@@H]2CCN(CC(F)(F)F)C2)ccc1SC(F)F ZINC000125894642 823739060 /nfs/dbraw/zinc/73/90/60/823739060.db2.gz XTRMMJUECJNFNE-CMPLNLGQSA-N 1 0 384.414 4.297 20 0 GIADRO c1ccc([C@H](CN2CCOCC2)[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)cc1 ZINC000163719633 823741449 /nfs/dbraw/zinc/74/14/49/823741449.db2.gz JDBZZRMTGMVTIT-YADHBBJMSA-N 1 0 378.516 4.096 20 0 GIADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000163716750 823741678 /nfs/dbraw/zinc/74/16/78/823741678.db2.gz DOQAKLBAZAGDRY-CQSZACIVSA-N 1 0 392.425 4.448 20 0 GIADRO CC(C)c1nn(C)c(Cl)c1C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000163725466 823741976 /nfs/dbraw/zinc/74/19/76/823741976.db2.gz MLWNQPXQXFCTBO-AWEZNQCLSA-N 1 0 376.932 4.056 20 0 GIADRO Cc1cc2ncn(C[C@@H](O)C[NH2+]Cc3c(Cl)cccc3Cl)c2cc1C ZINC000574484269 823743419 /nfs/dbraw/zinc/74/34/19/823743419.db2.gz QKWSBCMVJXZCIV-AWEZNQCLSA-N 1 0 378.303 4.111 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCSC3(CCC3)CC2)CC1 ZINC000413276487 823743746 /nfs/dbraw/zinc/74/37/46/823743746.db2.gz FKMLBGHNIVXWBP-SFHVURJKSA-N 1 0 387.593 4.283 20 0 GIADRO CC(C)[N@@H+]1CC[C@H](CNCc2cnc(-c3ccc(Br)cc3)s2)C1 ZINC000574486591 823744677 /nfs/dbraw/zinc/74/46/77/823744677.db2.gz KNGZVZQUNJIOIZ-CQSZACIVSA-N 1 0 394.382 4.393 20 0 GIADRO COc1ccc([C@@H]([NH2+][C@@H]2CCN(CC(F)(F)F)C2)c2ccc(F)cc2)cc1 ZINC000163776885 823747691 /nfs/dbraw/zinc/74/76/91/823747691.db2.gz YPOVIKFGARHODI-MJGOQNOKSA-N 1 0 382.401 4.150 20 0 GIADRO O=C(NCCCCC[NH+]1CCCCC1)N1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000413300083 823748174 /nfs/dbraw/zinc/74/81/74/823748174.db2.gz MWZFCIQEZDFMKR-JOCHJYFZSA-N 1 0 399.579 4.206 20 0 GIADRO FC(F)(F)c1ccc2c(c1)[nH+]ccc2N1CCC(OC[C@@H]2CCCO2)CC1 ZINC000125945992 823750550 /nfs/dbraw/zinc/75/05/50/823750550.db2.gz VLYSFNAMLRGOHT-INIZCTEOSA-N 1 0 380.410 4.418 20 0 GIADRO C[C@@H](c1ccccc1)n1cnn(CN2CC[NH+](CC3CCCCC3)CC2)c1=S ZINC000064127167 823751319 /nfs/dbraw/zinc/75/13/19/823751319.db2.gz SPGBUPXKRDWCJG-IBGZPJMESA-N 1 0 399.608 4.179 20 0 GIADRO Cc1ccc(-c2nn(CN3CC[NH+](CC4CCCCC4)CC3)c(=S)n2C)cc1 ZINC000064128266 823751944 /nfs/dbraw/zinc/75/19/44/823751944.db2.gz DOSZOJSNSCQFNQ-UHFFFAOYSA-N 1 0 399.608 4.082 20 0 GIADRO C[C@H](C[NH2+]Cc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)S(C)(=O)=O ZINC000574512114 823752819 /nfs/dbraw/zinc/75/28/19/823752819.db2.gz JDTIBYHCKJUTBC-CYBMUJFWSA-N 1 0 387.423 4.020 20 0 GIADRO C[N@@H+](Cc1ccsc1)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000064138690 823753302 /nfs/dbraw/zinc/75/33/02/823753302.db2.gz GXRBBNIBCGPSLG-ZDUSSCGKSA-N 1 0 390.730 4.036 20 0 GIADRO Cc1ccccc1[C@H]([NH3+])C(=O)Nc1ccc(NC(=O)N2CCCCCC2)cc1 ZINC000574515868 823753476 /nfs/dbraw/zinc/75/34/76/823753476.db2.gz YWBWLTYHZCYQBM-FQEVSTJZSA-N 1 0 380.492 4.041 20 0 GIADRO C[N@H+](CCc1ccccc1)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000064142100 823754096 /nfs/dbraw/zinc/75/40/96/823754096.db2.gz ULBIYILOGXSXFZ-MRXNPFEDSA-N 1 0 398.728 4.017 20 0 GIADRO Cc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC000163881599 823756686 /nfs/dbraw/zinc/75/66/86/823756686.db2.gz YBZUUUSDXOKWKW-BHIYHBOVSA-N 1 0 389.540 4.138 20 0 GIADRO CCCOc1ccc(CNC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)c(C)c1 ZINC000191752057 823757262 /nfs/dbraw/zinc/75/72/62/823757262.db2.gz HZWUDCYBGLMWGK-UHFFFAOYSA-N 1 0 399.535 4.183 20 0 GIADRO C[C@H]([NH2+][C@@H](C)C(C)(C)c1ccccc1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000163891550 823757665 /nfs/dbraw/zinc/75/76/65/823757665.db2.gz UQNPBWMZXRINSY-ROUUACIJSA-N 1 0 386.561 4.243 20 0 GIADRO COc1ccc([C@@H](C[NH+](C)C)NCc2cn(-c3ccccc3)nc2C(C)C)cc1 ZINC000574539300 823758542 /nfs/dbraw/zinc/75/85/42/823758542.db2.gz QZOFEMCRRBGSMA-HSZRJFAPSA-N 1 0 392.547 4.397 20 0 GIADRO CN(C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(-c2ccccc2)nn1 ZINC000125984823 823759916 /nfs/dbraw/zinc/75/99/16/823759916.db2.gz YJSVWTOVMAVDIR-OAQYLSRUSA-N 1 0 386.499 4.019 20 0 GIADRO C[C@H]1C[C@@H](NC(=O)N2CCSC3(CCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000413361132 823759808 /nfs/dbraw/zinc/75/98/08/823759808.db2.gz OBNVHNFMDLQFML-ICSRJNTNSA-N 1 0 387.593 4.111 20 0 GIADRO CC[C@H](C)[C@@H](O)C[NH2+][C@@H](C)c1sc(Cc2ccc(OC)c(OC)c2)nc1C ZINC000163978792 823768036 /nfs/dbraw/zinc/76/80/36/823768036.db2.gz VOSGLGZOINTWEG-ZQIUZPCESA-N 1 0 392.565 4.117 20 0 GIADRO C[NH+](C)CC[C@@H](NC(=O)N[C@H]1CCCc2cn(C3CCCC3)nc21)C(C)(C)C ZINC000461948682 823768618 /nfs/dbraw/zinc/76/86/18/823768618.db2.gz SYCRAPBDSAOYRY-RBUKOAKNSA-N 1 0 389.588 4.041 20 0 GIADRO CC[C@@H](CNC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)CC(F)(F)F ZINC000413400990 823769455 /nfs/dbraw/zinc/76/94/55/823769455.db2.gz NFOUCZSULJCCTQ-KLAILNCOSA-N 1 0 377.495 4.307 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@H](C)c2ccc(NC(N)=O)cc2)cnn1-c1ccc(F)cc1 ZINC000164040178 823772796 /nfs/dbraw/zinc/77/27/96/823772796.db2.gz YWRJSCIUUHJFMC-KGLIPLIRSA-N 1 0 381.455 4.222 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)NCc2ccc(-c3ccccc3)o2)c1 ZINC000064225173 823773676 /nfs/dbraw/zinc/77/36/76/823773676.db2.gz QCFQAYNWJTUJLR-UHFFFAOYSA-N 1 0 377.488 4.398 20 0 GIADRO Cc1c([C@@H](C)[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)cnn1-c1ccc(F)cc1 ZINC000164048989 823773823 /nfs/dbraw/zinc/77/38/23/823773823.db2.gz MEOTXIRXQDXKCW-LGRMXARXSA-N 1 0 385.508 4.469 20 0 GIADRO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@H]2C[C@H](O)c2cccs2)c1 ZINC000191806062 823775141 /nfs/dbraw/zinc/77/51/41/823775141.db2.gz NWLQJHYJIACZLN-RDJZCZTQSA-N 1 0 391.334 4.470 20 0 GIADRO Cc1cccn2c(=O)cc(CNc3ccccc3C[N@@H+](C)C3CCCCC3)nc12 ZINC000126049851 823775388 /nfs/dbraw/zinc/77/53/88/823775388.db2.gz LLJFRUCOBKKAHI-UHFFFAOYSA-N 1 0 390.531 4.380 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)N(Cc2ccccc2)C[C@@H]2CCCO2)c1 ZINC000064229289 823775655 /nfs/dbraw/zinc/77/56/55/823775655.db2.gz IGGZMZMCVNINLL-QHCPKHFHSA-N 1 0 395.547 4.029 20 0 GIADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)[C@@H]2CC(C)(C)Oc3ccccc32)CC1 ZINC000413431505 823776735 /nfs/dbraw/zinc/77/67/35/823776735.db2.gz ATHJHBNFRFQEBN-HXUWFJFHSA-N 1 0 382.504 4.047 20 0 GIADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cccnc2SCc2ccc(F)cc2)C1 ZINC000164094798 823777413 /nfs/dbraw/zinc/77/74/13/823777413.db2.gz BWBBXJAYMCKRRO-XLIONFOSSA-N 1 0 399.535 4.069 20 0 GIADRO COc1ccc(-c2nc(C[NH2+][C@@H]3[C@H]4CCCO[C@@H]4C3(C)C)cs2)cc1OC ZINC000574604932 823778033 /nfs/dbraw/zinc/77/80/33/823778033.db2.gz SGPACMASNMHWPO-LZQZEXGQSA-N 1 0 388.533 4.121 20 0 GIADRO COc1ccc(F)cc1[C@@H](C)NC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000064237285 823778382 /nfs/dbraw/zinc/77/83/82/823778382.db2.gz KVDOFOSLCSTVCL-UTKZUKDTSA-N 1 0 399.510 4.340 20 0 GIADRO C[NH+](C)CCN(CCCc1ccccc1)C(=O)c1cc(-c2ccccc2)ns1 ZINC000461979459 823780572 /nfs/dbraw/zinc/78/05/72/823780572.db2.gz YZFGLZDIBNJKMB-UHFFFAOYSA-N 1 0 393.556 4.447 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)N2CCC[C@@H](Nc3ccccc3)C2)cc1)C1CC1 ZINC000164149577 823781503 /nfs/dbraw/zinc/78/15/03/823781503.db2.gz UNIDGHOTKKPTEJ-JOCHJYFZSA-N 1 0 377.532 4.388 20 0 GIADRO COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H](C)c2cc(C)sc2C)c(OC)c1 ZINC000126081833 823782455 /nfs/dbraw/zinc/78/24/55/823782455.db2.gz ZRFRGLFLHFFSTG-OCCSQVGLSA-N 1 0 376.522 4.450 20 0 GIADRO C[N@H+](CCCCS(C)(=O)=O)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000164174420 823783711 /nfs/dbraw/zinc/78/37/11/823783711.db2.gz NAPAWDJCVHTKSX-IBGZPJMESA-N 1 0 383.916 4.325 20 0 GIADRO CC(C)[NH+]1CCC(C(=O)N[C@@H](Cc2cccc(F)c2)c2cccc(F)c2)CC1 ZINC000461987814 823784418 /nfs/dbraw/zinc/78/44/18/823784418.db2.gz RGTRPCWJHWONOZ-QFIPXVFZSA-N 1 0 386.486 4.485 20 0 GIADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3csc(-c4ccc(Cl)c(Cl)c4)n3)C[C@H]21 ZINC000574630686 823786183 /nfs/dbraw/zinc/78/61/83/823786183.db2.gz NEDJLNKKXJXQFO-LALPHHSUSA-N 1 0 396.343 4.316 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)[C@H](C)c1cccc(Br)c1)c1ccco1 ZINC000461991883 823786633 /nfs/dbraw/zinc/78/66/33/823786633.db2.gz ZVWVCEGIWSBPQZ-PBHICJAKSA-N 1 0 393.325 4.345 20 0 GIADRO CCC[NH+](CCC)CCCNC(=O)N[C@@H]1CCCc2cn(C3CCCC3)nc21 ZINC000461996595 823788753 /nfs/dbraw/zinc/78/87/53/823788753.db2.gz IVXWMWKGCBWELW-HXUWFJFHSA-N 1 0 389.588 4.187 20 0 GIADRO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)C1(Cc2ccc(Cl)cc2)CC1 ZINC000574643933 823789310 /nfs/dbraw/zinc/78/93/10/823789310.db2.gz DKQVQTQFZGLSTI-UHFFFAOYSA-N 1 0 385.939 4.038 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1)c1cc2c(s1)CCCC2 ZINC000164243050 823789404 /nfs/dbraw/zinc/78/94/04/823789404.db2.gz ZECAYYCVAXFCGS-UONOGXRCSA-N 1 0 378.563 4.410 20 0 GIADRO C[C@H](CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)CC(F)(F)F ZINC000413526036 823792328 /nfs/dbraw/zinc/79/23/28/823792328.db2.gz BAYAQBIVZFZCJQ-RDJZCZTQSA-N 1 0 385.474 4.175 20 0 GIADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000462013243 823794185 /nfs/dbraw/zinc/79/41/85/823794185.db2.gz VVOPURNAKLLXKK-MRXNPFEDSA-N 1 0 388.581 4.306 20 0 GIADRO COc1ccc(CN(Cc2ccccc2)C(=O)N[C@@H](C)C[N@H+](C)C(C)C)cc1 ZINC000462012321 823794429 /nfs/dbraw/zinc/79/44/29/823794429.db2.gz UBCXPZDEGBNGRY-IBGZPJMESA-N 1 0 383.536 4.136 20 0 GIADRO CN(C(=O)Nc1ncc(Cc2ccccc2Cl)s1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000574663268 823794434 /nfs/dbraw/zinc/79/44/34/823794434.db2.gz ZEQKNXDQINQEEN-YIONKMFJSA-N 1 0 390.940 4.134 20 0 GIADRO Cc1ccccc1CN(C)C(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000064334672 823795606 /nfs/dbraw/zinc/79/56/06/823795606.db2.gz NJZJVLOAMCQGOT-NRFANRHFSA-N 1 0 390.449 4.408 20 0 GIADRO Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]Cc1nccn1CCCc1ccccc1 ZINC000164324589 823796125 /nfs/dbraw/zinc/79/61/25/823796125.db2.gz DGJWZSXGFVORMJ-HXUWFJFHSA-N 1 0 390.531 4.331 20 0 GIADRO C[C@H]1CCCN(c2cc(C(=O)N3CCC[C@@H](C[NH+]4CCCCCC4)C3)ccn2)C1 ZINC000462018410 823796244 /nfs/dbraw/zinc/79/62/44/823796244.db2.gz WOEDRXTVOICHEB-SFTDATJTSA-N 1 0 398.595 4.046 20 0 GIADRO COc1ccc(C2(c3noc(C4CC[NH+](C5CC5)CC4)n3)CCCC2)cc1OC ZINC000574675401 823797408 /nfs/dbraw/zinc/79/74/08/823797408.db2.gz BFIYTHDSJOZINB-UHFFFAOYSA-N 1 0 397.519 4.289 20 0 GIADRO C[C@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccccc1)c1ccc(OCc2nccn2C)cc1 ZINC000191863923 823798526 /nfs/dbraw/zinc/79/85/26/823798526.db2.gz GSBXVZBGQBMYBM-XZOYJPPVSA-N 1 0 391.515 4.428 20 0 GIADRO COC(=O)c1ccc(C[NH2+][C@H](C)Cc2cccc(C(F)(F)F)c2)nc1C1CC1 ZINC000574678230 823798536 /nfs/dbraw/zinc/79/85/36/823798536.db2.gz PMKUMNWMSVMICM-CYBMUJFWSA-N 1 0 392.421 4.485 20 0 GIADRO Cc1ccncc1CCC[NH2+][C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000574678506 823798740 /nfs/dbraw/zinc/79/87/40/823798740.db2.gz SPRDPLYUXXXONK-SFHVURJKSA-N 1 0 392.330 4.415 20 0 GIADRO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000462024165 823799304 /nfs/dbraw/zinc/79/93/04/823799304.db2.gz DDPRMOAFPWCQKJ-SFHVURJKSA-N 1 0 385.939 4.072 20 0 GIADRO COc1ccc(-c2n[nH]cc2C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000462025021 823799766 /nfs/dbraw/zinc/79/97/66/823799766.db2.gz DHODFNRGWZSZPM-UHFFFAOYSA-N 1 0 390.487 4.324 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=S)NC1CCCCC1 ZINC000064371362 823802489 /nfs/dbraw/zinc/80/24/89/823802489.db2.gz CFOQKWCPHWMUCZ-UHFFFAOYSA-N 1 0 387.515 4.276 20 0 GIADRO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)Nc1cccc(C(F)F)c1 ZINC000191882188 823803219 /nfs/dbraw/zinc/80/32/19/823803219.db2.gz XVRPMDGFDGANAL-IBGZPJMESA-N 1 0 389.446 4.037 20 0 GIADRO CN1CC[NH+]([C@@H]2CCCCN(C(=O)Nc3cccc(-c4cccs4)c3)C2)CC1 ZINC000126167454 823804053 /nfs/dbraw/zinc/80/40/53/823804053.db2.gz DVGGLBXGKSZTJF-HXUWFJFHSA-N 1 0 398.576 4.049 20 0 GIADRO NC(=O)c1ccc(-c2nc(C[NH2+][C@@H]3CCC[C@@H]3Cc3ccccc3)cs2)cc1 ZINC000191890441 823805364 /nfs/dbraw/zinc/80/53/64/823805364.db2.gz KRACADNAEMDXTQ-TZIWHRDSSA-N 1 0 391.540 4.410 20 0 GIADRO CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+][C@@H]2COc3c(cccc3OC)C2)cc1 ZINC000164508621 823805983 /nfs/dbraw/zinc/80/59/83/823805983.db2.gz LYHIDUWRNBSZRZ-UZLBHIALSA-N 1 0 397.519 4.223 20 0 GIADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)N[C@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000462040235 823807684 /nfs/dbraw/zinc/80/76/84/823807684.db2.gz MBFBLECUHFLPOO-PUECVXPYSA-N 1 0 384.351 4.426 20 0 GIADRO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000126187172 823807671 /nfs/dbraw/zinc/80/76/71/823807671.db2.gz UDRBHUOHMYTSRW-HIFRSBDPSA-N 1 0 378.394 4.016 20 0 GIADRO Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@H]3CCC[C@H]3c3ccccc3)CC2)cc1 ZINC000462041069 823808151 /nfs/dbraw/zinc/80/81/51/823808151.db2.gz QBHSCJPLTAQHNL-GOTSBHOMSA-N 1 0 398.572 4.074 20 0 GIADRO COc1cccc2c1OC[C@H]([NH2+][C@H](C)c1sc(-c3cccnc3)nc1C)C2 ZINC000164547228 823808221 /nfs/dbraw/zinc/80/82/21/823808221.db2.gz FEUKJPWEYFJZMV-CXAGYDPISA-N 1 0 381.501 4.176 20 0 GIADRO Cc1ccc(OCc2ccc(C(=O)N3CCC[C@@H]4C[N@H+](C)CC[C@@H]43)o2)c(C)c1 ZINC000164560368 823808308 /nfs/dbraw/zinc/80/83/08/823808308.db2.gz MZFHVIBLMJHNGD-QUCCMNQESA-N 1 0 382.504 4.032 20 0 GIADRO COC(=O)C[C@](C)([NH2+]Cc1cccc(OCc2ccccc2)c1)c1ccncc1 ZINC000191904931 823808900 /nfs/dbraw/zinc/80/89/00/823808900.db2.gz PBHDPQVWUAQSQA-DEOSSOPVSA-N 1 0 390.483 4.229 20 0 GIADRO COc1ccc2c(c1)OC[C@@H](C(=O)Nc1ccc(C[N@@H+]3CCCC[C@H]3C)cc1)C2 ZINC000064393786 823809250 /nfs/dbraw/zinc/80/92/50/823809250.db2.gz BFXDANMHJHGKPN-XLIONFOSSA-N 1 0 394.515 4.259 20 0 GIADRO C[C@@]12CCC[N@@H+]1C[C@@H](c1noc(-c3cc(Oc4ccccc4)ccc3O)n1)OC2 ZINC000574724228 823810141 /nfs/dbraw/zinc/81/01/41/823810141.db2.gz BPXCPJXQEWSWET-UGKGYDQZSA-N 1 0 393.443 4.160 20 0 GIADRO COc1ccc(CN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccccc2Cl)cc1OC ZINC000126195980 823810281 /nfs/dbraw/zinc/81/02/81/823810281.db2.gz ZXYNXCBZWXEVCN-LSDHHAIUSA-N 1 0 390.911 4.055 20 0 GIADRO Cc1nn(C)c(OCC(F)(F)F)c1C[N@H+](C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000574725315 823810524 /nfs/dbraw/zinc/81/05/24/823810524.db2.gz DZFPSZYDQYJCDY-TXEJJXNPSA-N 1 0 387.368 4.223 20 0 GIADRO CC(C)CN(C(=O)NC1CCC(C[NH+](C)C)CC1)[C@H]1CCCc2cccnc21 ZINC000164593260 823810729 /nfs/dbraw/zinc/81/07/29/823810729.db2.gz QLXQNXAVGLYVKC-MNLRITNHSA-N 1 0 386.584 4.247 20 0 GIADRO C[C@H](NC(=O)CC[NH+]1CCN(c2ccccc2)CC1)c1ccc2ccccc2c1 ZINC000462047250 823811179 /nfs/dbraw/zinc/81/11/79/823811179.db2.gz YTKIFBDSLFZSFP-FQEVSTJZSA-N 1 0 387.527 4.229 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1cccc(Cl)c1)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000126212419 823813352 /nfs/dbraw/zinc/81/33/52/823813352.db2.gz DWPOGNQTDHPFIU-HUUCEWRRSA-N 1 0 385.895 4.145 20 0 GIADRO CC1CC[NH+](C2CCC(NC(=O)Nc3cnn(Cc4ccccc4)c3)CC2)CC1 ZINC000126211875 823813381 /nfs/dbraw/zinc/81/33/81/823813381.db2.gz HBCGDUPDEHCXSB-UHFFFAOYSA-N 1 0 395.551 4.096 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCCc1ccccc1 ZINC000064412277 823813598 /nfs/dbraw/zinc/81/35/98/823813598.db2.gz BPSVKAQPLCWZAQ-UHFFFAOYSA-N 1 0 393.453 4.021 20 0 GIADRO C[C@@H](CC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(F)c(Br)c1 ZINC000462055715 823814789 /nfs/dbraw/zinc/81/47/89/823814789.db2.gz QORGDNNIGNQUBZ-DZGCQCFKSA-N 1 0 397.332 4.215 20 0 GIADRO Cc1cccc(Nc2nn(CN3CC[C@H]4[C@H](CCC[N@H+]4C)C3)c(=S)s2)c1 ZINC000164654740 823814769 /nfs/dbraw/zinc/81/47/69/823814769.db2.gz JEGFNERXDKUHKD-WBVHZDCISA-N 1 0 389.594 4.100 20 0 GIADRO O[C@@H]1CCC[C@@H]1[NH+]1CCC(N[C@@H]2CCCOc3c(Cl)c(Cl)ccc32)CC1 ZINC000574743935 823816447 /nfs/dbraw/zinc/81/64/47/823816447.db2.gz HAWKVTQBDIIUHC-FGTMMUONSA-N 1 0 399.362 4.175 20 0 GIADRO Cc1nccn1CCCC[NH2+][C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000164708886 823816552 /nfs/dbraw/zinc/81/65/52/823816552.db2.gz ZHZQROLCNFAZSO-QGZVFWFLSA-N 1 0 389.565 4.039 20 0 GIADRO CC(C)Cc1ccc(C(=O)C2CC[NH+](C[C@H]3CC4(CCC4)C(=O)O3)CC2)cc1 ZINC000191937534 823816947 /nfs/dbraw/zinc/81/69/47/823816947.db2.gz DLVUEMUMECDYJA-OAQYLSRUSA-N 1 0 383.532 4.266 20 0 GIADRO C[C@@H](C(=O)NCCCCC[NH+]1CCCCC1)c1cccc(Br)c1 ZINC000462069933 823819398 /nfs/dbraw/zinc/81/93/98/823819398.db2.gz ISIDPRBJNRLVCD-MRXNPFEDSA-N 1 0 381.358 4.325 20 0 GIADRO Cc1csc(SCc2ccc(C(=O)N(C)[C@@H]3CC[N@@H+](C)C[C@@H]3C)cc2)n1 ZINC000126245832 823820043 /nfs/dbraw/zinc/82/00/43/823820043.db2.gz BYVMIRFXXSOGLL-KBXCAEBGSA-N 1 0 389.590 4.156 20 0 GIADRO C[N@H+]1CC=C(CN[C@@H](c2ccc(Br)o2)c2ccc(F)cc2)CC1 ZINC000574762533 823820414 /nfs/dbraw/zinc/82/04/14/823820414.db2.gz WEMRDSOXSISZOY-GOSISDBHSA-N 1 0 379.273 4.122 20 0 GIADRO Cc1ccccc1-c1cc(NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)n(C)n1 ZINC000462076277 823820550 /nfs/dbraw/zinc/82/05/50/823820550.db2.gz VEOYCIDCSQPMAC-GOSISDBHSA-N 1 0 383.540 4.172 20 0 GIADRO CC(C)c1ccc(C[C@H]2CC[N@H+](Cc3cnc(N4CCOCC4)s3)C2)cc1 ZINC000462080311 823822290 /nfs/dbraw/zinc/82/22/90/823822290.db2.gz UMEXQMGULKTLFQ-LJQANCHMSA-N 1 0 385.577 4.168 20 0 GIADRO C[C@H]1CN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C[C@@H](c2ccsc2)O1 ZINC000164861382 823823279 /nfs/dbraw/zinc/82/32/79/823823279.db2.gz FUUCECHGEJGREP-RXVVDRJESA-N 1 0 398.572 4.339 20 0 GIADRO CC[C@H]1CCCCN1CC[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000164864097 823823475 /nfs/dbraw/zinc/82/34/75/823823475.db2.gz DEVNMMXCRSLKKW-HOTGVXAUSA-N 1 0 385.474 4.277 20 0 GIADRO Cc1cc(C)c(-c2csc(NC(=O)C[N@H+](C[C@H]3CCOC3)C3CC3)n2)cc1C ZINC000164866794 823823768 /nfs/dbraw/zinc/82/37/68/823823768.db2.gz JNTJOQZHDJSBNF-QGZVFWFLSA-N 1 0 399.560 4.175 20 0 GIADRO COc1cc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cc(Cl)c1OCC(C)C ZINC000574778366 823824046 /nfs/dbraw/zinc/82/40/46/823824046.db2.gz HXBXBWHYMWNWGZ-DOTOQJQBSA-N 1 0 394.943 4.082 20 0 GIADRO C[C@@H]1C[N@@H+](Cc2ccc(CNc3ccc4ccc(F)cc4n3)cc2)C[C@H](C)O1 ZINC000462088572 823824492 /nfs/dbraw/zinc/82/44/92/823824492.db2.gz NXNAUHGSOFIGRA-CALCHBBNSA-N 1 0 379.479 4.017 20 0 GIADRO C[C@H]([NH2+]C[C@@H]1CCCN(C)[C@@H]1c1cccs1)c1cccc(N2CCOC2=O)c1 ZINC000164977939 823828034 /nfs/dbraw/zinc/82/80/34/823828034.db2.gz OIWFQZYYISMIDT-MDKPJZGXSA-N 1 0 399.560 4.438 20 0 GIADRO CCOc1ccccc1[C@@H](C)[NH2+]Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000165030248 823830893 /nfs/dbraw/zinc/83/08/93/823830893.db2.gz KSGVASNNBAQDLK-QGZVFWFLSA-N 1 0 378.472 4.459 20 0 GIADRO COc1ccc(CNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000165040416 823830959 /nfs/dbraw/zinc/83/09/59/823830959.db2.gz XWXZAFWWHVSGNA-UHFFFAOYSA-N 1 0 386.923 4.267 20 0 GIADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2cnn(-c3ccccc3Cl)c2)C1 ZINC000064497995 823831423 /nfs/dbraw/zinc/83/14/23/823831423.db2.gz QBCYMYHAWNTMTQ-SOLBZPMBSA-N 1 0 386.927 4.003 20 0 GIADRO Brc1cccc(-c2cnc(C[N@@H+]3CC[C@@H](c4cccnc4)C3)o2)c1 ZINC000574808045 823832867 /nfs/dbraw/zinc/83/28/67/823832867.db2.gz PWVUDVIYWLZCQM-MRXNPFEDSA-N 1 0 384.277 4.489 20 0 GIADRO Cc1[nH+]c2ccc(Br)cc2c(N2CCN(c3ccccn3)CC2)c1C ZINC000462121540 823835470 /nfs/dbraw/zinc/83/54/70/823835470.db2.gz ZCNSTRFJDYGOEP-UHFFFAOYSA-N 1 0 397.320 4.336 20 0 GIADRO O=C(C[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)N[C@H](c1ccccc1)C1CC1 ZINC000192021737 823836107 /nfs/dbraw/zinc/83/61/07/823836107.db2.gz NYJVMURWLHLXAL-CEMLEFRQSA-N 1 0 384.907 4.027 20 0 GIADRO C[C@H](CNC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)CC(F)(F)F ZINC000413763288 823836519 /nfs/dbraw/zinc/83/65/19/823836519.db2.gz MVWQILNXDGZJAW-KRWDZBQOSA-N 1 0 397.485 4.273 20 0 GIADRO Cc1csc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1Br ZINC000192026896 823836552 /nfs/dbraw/zinc/83/65/52/823836552.db2.gz FACZADCBPHAWFY-UHFFFAOYSA-N 1 0 393.350 4.345 20 0 GIADRO CC[C@@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)c1cccc(Br)c1 ZINC000165166420 823837420 /nfs/dbraw/zinc/83/74/20/823837420.db2.gz PAGLYUILGDSWRT-LJQANCHMSA-N 1 0 389.337 4.434 20 0 GIADRO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)CC(C)(C)C1 ZINC000574841277 823839662 /nfs/dbraw/zinc/83/96/62/823839662.db2.gz XLZXHWYILJKUIU-HNNXBMFYSA-N 1 0 385.533 4.307 20 0 GIADRO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3sccc3Br)C2)n1 ZINC000165208806 823840068 /nfs/dbraw/zinc/84/00/68/823840068.db2.gz NQZNZNWSYKEJRL-ZDUSSCGKSA-N 1 0 394.338 4.065 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Nc1cccc(NC(C)=O)c1C)Cc1ccccc1 ZINC000126325457 823840277 /nfs/dbraw/zinc/84/02/77/823840277.db2.gz BXOZXQCMOYOPQC-FQEVSTJZSA-N 1 0 396.535 4.028 20 0 GIADRO COC(=O)c1cc(C[NH2+]C2(c3ccc(Br)cc3)CCCC2)cn1C ZINC000574844615 823840635 /nfs/dbraw/zinc/84/06/35/823840635.db2.gz PKUWCJRQZREIEC-UHFFFAOYSA-N 1 0 391.309 4.133 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Nc1cccc(NC(C)=O)c1C)c1ccsc1 ZINC000126326288 823840717 /nfs/dbraw/zinc/84/07/17/823840717.db2.gz ANLUCDNVNYIJEB-LJQANCHMSA-N 1 0 388.537 4.220 20 0 GIADRO Cc1nccn1-c1ccc(C[NH2+][C@H](C)c2ccc(Br)s2)cn1 ZINC000126337543 823842816 /nfs/dbraw/zinc/84/28/16/823842816.db2.gz YOBYSHFZDALWMS-LLVKDONJSA-N 1 0 377.311 4.251 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(SC(F)F)cc2)CC1)c1ccsc1 ZINC000064557845 823843894 /nfs/dbraw/zinc/84/38/94/823843894.db2.gz NZQLPYJZPPFWQA-UHFFFAOYSA-N 1 0 382.501 4.457 20 0 GIADRO CC[C@H](CNC(=O)Nc1cc(OC)ccc1Cl)[N@@H+]1CCc2ccccc2C1 ZINC000064561070 823844412 /nfs/dbraw/zinc/84/44/12/823844412.db2.gz OAVKSNFICXDYFJ-QGZVFWFLSA-N 1 0 387.911 4.307 20 0 GIADRO Cc1cc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)ccc1Oc1cccnc1 ZINC000165344916 823844635 /nfs/dbraw/zinc/84/46/35/823844635.db2.gz ZSCPAJXYQYTXJY-PXNSSMCTSA-N 1 0 380.492 4.130 20 0 GIADRO CCOc1ccc(C(F)(F)F)cc1NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000165353938 823845091 /nfs/dbraw/zinc/84/50/91/823845091.db2.gz WRMXHOFCGZNCCD-BBRMVZONSA-N 1 0 385.430 4.052 20 0 GIADRO CN1CCCc2cc(NC(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)ccc21 ZINC000064562145 823845338 /nfs/dbraw/zinc/84/53/38/823845338.db2.gz OAGWESZQGNLTIC-UHFFFAOYSA-N 1 0 392.547 4.377 20 0 GIADRO CC(=O)N(c1nc(CN2CC[C@@H]([NH+]3CCCC3)C2)cs1)c1ccc(C)cc1C ZINC000165370676 823846067 /nfs/dbraw/zinc/84/60/67/823846067.db2.gz VWTGSEJPZUGOQA-HXUWFJFHSA-N 1 0 398.576 4.115 20 0 GIADRO C[C@@H](CC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1ccc(F)c(Br)c1 ZINC000462151622 823846279 /nfs/dbraw/zinc/84/62/79/823846279.db2.gz YPLNGZCQIRKBSC-STQMWFEESA-N 1 0 387.337 4.174 20 0 GIADRO CCOc1ccc(NC(=O)NC[C@H](C)C[NH+]2CCCCC2)c(C(F)(F)F)c1 ZINC000064563729 823846736 /nfs/dbraw/zinc/84/67/36/823846736.db2.gz OIQKXVFYSJGAKF-AWEZNQCLSA-N 1 0 387.446 4.348 20 0 GIADRO CN(C(=O)c1cccc(C[NH+]2CCCCC2)c1)[C@H](CO)c1ccc(Cl)cc1 ZINC000413829758 823846892 /nfs/dbraw/zinc/84/68/92/823846892.db2.gz GXOATDVPJXYPMU-OAQYLSRUSA-N 1 0 386.923 4.132 20 0 GIADRO C[C@@H](CC(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1)C1CC[NH2+]CC1 ZINC000165394624 823846936 /nfs/dbraw/zinc/84/69/36/823846936.db2.gz BAXJAVNUPJGFKZ-AWEZNQCLSA-N 1 0 389.927 4.213 20 0 GIADRO CCOc1ccc(NC(=O)NCc2cccc(C[NH+](C)C)c2)c(C(F)(F)F)c1 ZINC000064564416 823847691 /nfs/dbraw/zinc/84/76/91/823847691.db2.gz IUMJSLHAUHMCOD-UHFFFAOYSA-N 1 0 395.425 4.487 20 0 GIADRO CCCN(C(=O)c1cnn([C@H]2CCC[NH2+]C2)c1)[C@@H](C)c1cc2ccccc2o1 ZINC000574868731 823848120 /nfs/dbraw/zinc/84/81/20/823848120.db2.gz NYMLSPMVARBPCN-LPHOPBHVSA-N 1 0 380.492 4.167 20 0 GIADRO CCCN(C(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1)[C@H](C)c1cc2ccccc2o1 ZINC000574868734 823848312 /nfs/dbraw/zinc/84/83/12/823848312.db2.gz NYMLSPMVARBPCN-VQIMIIECSA-N 1 0 380.492 4.167 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@H](O)c1ccc(Cl)cc1 ZINC000126358856 823848370 /nfs/dbraw/zinc/84/83/70/823848370.db2.gz NHIRDKJEGHNIFO-SJCJKPOMSA-N 1 0 397.302 4.042 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+][C@H](C)c1ccc(NC(N)=O)cc1 ZINC000165449727 823849413 /nfs/dbraw/zinc/84/94/13/823849413.db2.gz KNJUQOMWAHGOSN-OLZOCXBDSA-N 1 0 381.505 4.416 20 0 GIADRO COCCSc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)cc1 ZINC000165452576 823849434 /nfs/dbraw/zinc/84/94/34/823849434.db2.gz SDIIYZBKYHYZQD-SJORKVTESA-N 1 0 382.533 4.418 20 0 GIADRO COc1cccc(OC)c1Oc1ccc(C[NH2+][C@H](C)CC2CCOCC2)cn1 ZINC000165446079 823849502 /nfs/dbraw/zinc/84/95/02/823849502.db2.gz XNSNVXWKVGULLD-MRXNPFEDSA-N 1 0 386.492 4.186 20 0 GIADRO O=C(NCC[NH2+][C@H]1CCCOc2c(Cl)cccc21)c1ccccc1Cl ZINC000165502455 823850821 /nfs/dbraw/zinc/85/08/21/823850821.db2.gz VCCYKHAMMWTTFP-KRWDZBQOSA-N 1 0 379.287 4.227 20 0 GIADRO CC[C@@H](C[NH2+][C@H](C)CC(=O)Nc1cccnc1Cl)Oc1cccc(F)c1 ZINC000165517220 823852009 /nfs/dbraw/zinc/85/20/09/823852009.db2.gz SMVJHUBOXUOXMK-HIFRSBDPSA-N 1 0 379.863 4.038 20 0 GIADRO O=C(CC[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)Nc1ccc(F)cc1 ZINC000192077178 823852609 /nfs/dbraw/zinc/85/26/09/823852609.db2.gz BCZHTQHPEPEBJG-PKOBYXMFSA-N 1 0 380.822 4.067 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cnc(-c2ccsc2)s1 ZINC000462173003 823853546 /nfs/dbraw/zinc/85/35/46/823853546.db2.gz BHYYLTJPRGPTCT-YOEHRIQHSA-N 1 0 383.542 4.122 20 0 GIADRO CC(=O)Nc1ccc(CC[NH2+][C@@H](C)c2ccc(F)c(Br)c2)cc1 ZINC000165598272 823854716 /nfs/dbraw/zinc/85/47/16/823854716.db2.gz BVOOCSFVOFFXQQ-LBPRGKRZSA-N 1 0 379.273 4.440 20 0 GIADRO Cc1ccc2[nH]cc(CCC(=O)N[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C)c2c1 ZINC000462175546 823854780 /nfs/dbraw/zinc/85/47/80/823854780.db2.gz KTACDIHCZLIPAI-WZONZLPQSA-N 1 0 375.516 4.046 20 0 GIADRO CC(=O)Nc1ccc(CC[NH2+][C@H](C)c2ccc(F)cc2Br)cc1 ZINC000165613017 823855479 /nfs/dbraw/zinc/85/54/79/823855479.db2.gz KBTUJIKBTXDBDK-GFCCVEGCSA-N 1 0 379.273 4.440 20 0 GIADRO C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)C(=O)Nc1ccc(F)c(F)c1 ZINC000192088183 823856048 /nfs/dbraw/zinc/85/60/48/823856048.db2.gz VPEXRQGQLGCFLT-WQRJOSILSA-N 1 0 398.812 4.204 20 0 GIADRO Fc1cc(C[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c2c(c1)COCO2 ZINC000192089321 823856292 /nfs/dbraw/zinc/85/62/92/823856292.db2.gz LSKMBRIJKHMTSY-IEBWSBKVSA-N 1 0 381.806 4.105 20 0 GIADRO COc1ccc(C[N@H+](CC(=O)N(CC(F)(F)F)C(C)C)[C@@H](C)C2CC2)cc1 ZINC000064641618 823856354 /nfs/dbraw/zinc/85/63/54/823856354.db2.gz BHJBPJGRNYBPQC-HNNXBMFYSA-N 1 0 386.458 4.095 20 0 GIADRO Fc1cc(C[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c2c(c1)COCO2 ZINC000192089339 823856921 /nfs/dbraw/zinc/85/69/21/823856921.db2.gz LSKMBRIJKHMTSY-HKUYNNGSSA-N 1 0 381.806 4.105 20 0 GIADRO CC[C@@H]([NH2+][C@@H](C)c1ccccc1OC)c1ccccc1OCC(=O)N1CCCC1 ZINC000165650242 823856952 /nfs/dbraw/zinc/85/69/52/823856952.db2.gz CGQVACAWFSLXIL-GHTZIAJQSA-N 1 0 396.531 4.498 20 0 GIADRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccc(Br)c(F)c1 ZINC000064645945 823857110 /nfs/dbraw/zinc/85/71/10/823857110.db2.gz ILXNDFKDASZQDS-GOSISDBHSA-N 1 0 391.284 4.155 20 0 GIADRO C[C@H](NC(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1)c1ccc(Oc2cccnc2)cc1 ZINC000574902423 823857284 /nfs/dbraw/zinc/85/72/84/823857284.db2.gz UQDVOHPQGJPRHU-ROUUACIJSA-N 1 0 394.519 4.061 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1occc1COc1ccccc1 ZINC000462180388 823857301 /nfs/dbraw/zinc/85/73/01/823857301.db2.gz HKIQZNZYVDICOX-XMSQKQJNSA-N 1 0 390.483 4.109 20 0 GIADRO CC[C@@H]([NH2+][C@@H](C)c1cnn(C(C)C)c1)c1ccccc1OCC(=O)N1CCCC1 ZINC000165662837 823857348 /nfs/dbraw/zinc/85/73/48/823857348.db2.gz FRCDUTKIIJJBRM-GHTZIAJQSA-N 1 0 398.551 4.267 20 0 GIADRO Cc1nn2c(C[NH2+][C@H](c3ccccc3)C3(CO)CCCCC3)c(C)nc2s1 ZINC000574904454 823857734 /nfs/dbraw/zinc/85/77/34/823857734.db2.gz WLEDGLIBSBCEGG-LJQANCHMSA-N 1 0 384.549 4.181 20 0 GIADRO CCCc1c(NC(=O)N2CCC3(CC[NH2+]CC3)CC2)cnn1-c1ccccc1C ZINC000574904985 823857934 /nfs/dbraw/zinc/85/79/34/823857934.db2.gz ABWOWBOAMGBDET-UHFFFAOYSA-N 1 0 395.551 4.131 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)CCCc1c[nH]c2ccccc12 ZINC000462182468 823858300 /nfs/dbraw/zinc/85/83/00/823858300.db2.gz OVBRSFJGFDNLRY-MBSDFSHPSA-N 1 0 375.516 4.127 20 0 GIADRO CSc1nnc(CCC[NH2+][C@@H](C)c2ccc(-n3ccnc3)cc2)n1CC(C)C ZINC000165695750 823859407 /nfs/dbraw/zinc/85/94/07/823859407.db2.gz UGBGXPOYPRMNTH-KRWDZBQOSA-N 1 0 398.580 4.125 20 0 GIADRO C[C@H](NC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)c1cccc(F)c1F ZINC000165691581 823859540 /nfs/dbraw/zinc/85/95/40/823859540.db2.gz PAUNSKHLDWODIK-IRXDYDNUSA-N 1 0 379.495 4.179 20 0 GIADRO CC(=O)c1cccc(OC[C@@H](O)C[NH2+]C[C@H](C)c2ccc(C(F)(F)F)cc2)c1 ZINC000574912636 823859691 /nfs/dbraw/zinc/85/96/91/823859691.db2.gz QFNDOFDQGZRSDO-LIRRHRJNSA-N 1 0 395.421 4.041 20 0 GIADRO Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000192102869 823860673 /nfs/dbraw/zinc/86/06/73/823860673.db2.gz RXIVMGZGPYUYCO-LPHOPBHVSA-N 1 0 397.277 4.499 20 0 GIADRO CSc1nnc(CCC[NH2+][C@@H]2c3cc(F)ccc3C[C@@H]2C)n1CC(C)C ZINC000165737807 823861442 /nfs/dbraw/zinc/86/14/42/823861442.db2.gz CDBIXOSXWZMELX-LIRRHRJNSA-N 1 0 376.545 4.251 20 0 GIADRO Cc1cc(Br)cc(C(=O)Nc2ccc(OCC[NH+](C)C)cc2F)c1 ZINC000413900051 823862803 /nfs/dbraw/zinc/86/28/03/823862803.db2.gz JYCMLNQYXHTSLG-UHFFFAOYSA-N 1 0 395.272 4.089 20 0 GIADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(OCc3ccc(F)cc3)c2)[C@H]1n1cccn1 ZINC000574930288 823863194 /nfs/dbraw/zinc/86/31/94/823863194.db2.gz QNDBTQHJRDBHDH-DNVJHFABSA-N 1 0 395.478 4.110 20 0 GIADRO Cc1nc(C2CCCC2)sc1C(=O)Nc1ccc(OCC[NH+](C)C)cc1F ZINC000413906879 823863946 /nfs/dbraw/zinc/86/39/46/823863946.db2.gz ZXCHGBHMRABXTQ-UHFFFAOYSA-N 1 0 391.512 4.441 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000126427437 823863999 /nfs/dbraw/zinc/86/39/99/823863999.db2.gz QLSFBRIKJOVHQZ-UHFFFAOYSA-N 1 0 391.437 4.018 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)c(F)c1 ZINC000413921891 823866591 /nfs/dbraw/zinc/86/65/91/823866591.db2.gz YMSSSFSOZNXSOO-DLBZAZTESA-N 1 0 376.859 4.162 20 0 GIADRO CN1CC[C@H]([NH2+]Cc2cn3cc(Cl)ccc3n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000574945419 823867539 /nfs/dbraw/zinc/86/75/39/823867539.db2.gz HWPZAHXDHVQHTM-PKOBYXMFSA-N 1 0 393.293 4.315 20 0 GIADRO Cc1ccccc1[C@H]([C@@H](C)Nc1ccc(C(=O)N2CCC(C)CC2)cn1)[NH+](C)C ZINC000574949931 823869487 /nfs/dbraw/zinc/86/94/87/823869487.db2.gz ZDTVOCVTMNVQFJ-XXBNENTESA-N 1 0 394.563 4.365 20 0 GIADRO c1ccc(CCN2CCC([NH2+][C@@H](C[C@@H]3CCOC3)c3ccccc3)CC2)cc1 ZINC000166136914 823870124 /nfs/dbraw/zinc/87/01/24/823870124.db2.gz IWXVGEFTBSYSFK-DHLKQENFSA-N 1 0 378.560 4.451 20 0 GIADRO CC(C)Cn1ccc2c1cccc2C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000574955843 823870606 /nfs/dbraw/zinc/87/06/06/823870606.db2.gz GEFCVEFELWZMEP-UHFFFAOYSA-N 1 0 390.531 4.087 20 0 GIADRO CCOc1c(Cl)cc(C[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)cc1OC ZINC000166138382 823870668 /nfs/dbraw/zinc/87/06/68/823870668.db2.gz CZYVHBONBKLFPT-ZJWNCGCPSA-N 1 0 381.925 4.336 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)Cc1cc2ccccc2s1 ZINC000413934977 823870757 /nfs/dbraw/zinc/87/07/57/823870757.db2.gz CFYIETRNDGBWLW-UHFFFAOYSA-N 1 0 384.501 4.032 20 0 GIADRO C[NH+](C)Cc1ccc(C(=O)NC(C)(C)COc2ncc(Cl)cc2Cl)cc1 ZINC000574954692 823870823 /nfs/dbraw/zinc/87/08/23/823870823.db2.gz ZAKBFOGEBRYEAN-UHFFFAOYSA-N 1 0 396.318 4.037 20 0 GIADRO FC(F)(F)COc1cc(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)ccn1 ZINC000166155504 823871007 /nfs/dbraw/zinc/87/10/07/823871007.db2.gz LTTVKNUKUATSAZ-FUHWJXTLSA-N 1 0 380.410 4.280 20 0 GIADRO C[C@@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000166181744 823871784 /nfs/dbraw/zinc/87/17/84/823871784.db2.gz MKNXIUZNELWFBO-ZPMCFJSWSA-N 1 0 395.522 4.284 20 0 GIADRO CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)c1 ZINC000166197332 823872380 /nfs/dbraw/zinc/87/23/80/823872380.db2.gz PQXUTXKOQACJDF-GREBRCKQSA-N 1 0 380.532 4.472 20 0 GIADRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1ccc(OCC(=O)NC3CC3)cc1)CCC2 ZINC000166209019 823872551 /nfs/dbraw/zinc/87/25/51/823872551.db2.gz OTVXTBOBYVDPBE-GAJHUEQPSA-N 1 0 378.516 4.381 20 0 GIADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)CCCc2nc3ccccc3s2)C1 ZINC000064726155 823872664 /nfs/dbraw/zinc/87/26/64/823872664.db2.gz HROLWUCPDVFXCO-FGTMMUONSA-N 1 0 385.577 4.483 20 0 GIADRO C[NH+](C)CCN(Cc1cnc(C2CC2)s1)Cc1ccc(Br)cc1 ZINC000574962626 823873604 /nfs/dbraw/zinc/87/36/04/823873604.db2.gz UFUHOGXQFDNYNL-UHFFFAOYSA-N 1 0 394.382 4.347 20 0 GIADRO Clc1ccc(CN2CCC([NH2+]Cc3ccc(C4OCCO4)cc3)CC2)cc1 ZINC000166315325 823875239 /nfs/dbraw/zinc/87/52/39/823875239.db2.gz WFBNSFUYPNSDQE-UHFFFAOYSA-N 1 0 386.923 4.140 20 0 GIADRO COc1ccc2cc(C(=O)N3CCC[C@@H]([N@H+]4[C@H](C)CC[C@@H]4C)C3)c(C)nc2c1 ZINC000064735235 823875359 /nfs/dbraw/zinc/87/53/59/823875359.db2.gz JYMSVZVBZOJDOT-JTDSTZFVSA-N 1 0 381.520 4.029 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1coc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000166315591 823875442 /nfs/dbraw/zinc/87/54/42/823875442.db2.gz AWNALCWRBTWGGB-MSOLQXFVSA-N 1 0 379.426 4.419 20 0 GIADRO Fc1ccc([C@H]2OCC[C@@H]2[NH2+]Cc2ccn(-c3c(F)cccc3F)n2)cc1F ZINC000192138317 823875569 /nfs/dbraw/zinc/87/55/69/823875569.db2.gz OOCMFISEAXMAFT-AZUAARDMSA-N 1 0 391.368 4.049 20 0 GIADRO Cc1cc(C)n(-c2ccc(C[NH2+][C@@H]3CCO[C@@H]3c3ccc(F)c(F)c3)cc2)n1 ZINC000192143036 823877843 /nfs/dbraw/zinc/87/78/43/823877843.db2.gz NLCDYOPQIJWJDI-FGZHOGPDSA-N 1 0 383.442 4.387 20 0 GIADRO Cc1cc(C)n(-c2ccc(C[NH2+][C@H]3CCO[C@H]3c3ccc(F)c(F)c3)cc2)n1 ZINC000192143054 823878023 /nfs/dbraw/zinc/87/80/23/823878023.db2.gz NLCDYOPQIJWJDI-VXKWHMMOSA-N 1 0 383.442 4.387 20 0 GIADRO CC[C@H](Sc1ccccc1)C(=O)Nc1ccc(OCC[NH+](C)C)cc1OC ZINC000413961049 823878483 /nfs/dbraw/zinc/87/84/83/823878483.db2.gz RFCPYVSWPASUTJ-FQEVSTJZSA-N 1 0 388.533 4.145 20 0 GIADRO Cc1cc(C)c(NC(=O)C[NH2+][C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c(Cl)c1 ZINC000192143602 823878619 /nfs/dbraw/zinc/87/86/19/823878619.db2.gz JTYTYXLOKVOYPY-YLJYHZDGSA-N 1 0 394.849 4.293 20 0 GIADRO Cc1sc(NC(=O)C[NH2+][C@H]2CCO[C@H]2c2ccc(F)c(F)c2)c(C)c1C ZINC000192144822 823879014 /nfs/dbraw/zinc/87/90/14/823879014.db2.gz MUWQNCLSRPUICD-WMZOPIPTSA-N 1 0 380.460 4.010 20 0 GIADRO O=C(NC[C@@H](Cc1ccccc1)C(F)(F)F)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000462222085 823879481 /nfs/dbraw/zinc/87/94/81/823879481.db2.gz BRBHRQHRKPFGKW-RTBURBONSA-N 1 0 397.485 4.068 20 0 GIADRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@H](C)Oc1cccc(F)c1 ZINC000126482076 823879823 /nfs/dbraw/zinc/87/98/23/823879823.db2.gz SDZWSBHYVHVZCT-INIZCTEOSA-N 1 0 388.508 4.089 20 0 GIADRO Cc1cccc(OCCC(=O)Nc2cc(C[NH+]3CCSCC3)ccc2C)c1 ZINC000126485843 823881052 /nfs/dbraw/zinc/88/10/52/823881052.db2.gz PLOAGXAMRBIOKK-UHFFFAOYSA-N 1 0 384.545 4.260 20 0 GIADRO O=C(NC[C@H](Cc1ccccc1)C(F)(F)F)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000462225798 823881338 /nfs/dbraw/zinc/88/13/38/823881338.db2.gz OLBUDDUHVNAEHP-OALUTQOASA-N 1 0 397.485 4.068 20 0 GIADRO CC(=O)c1ccc(Oc2ccc(C(=O)N(C)CC3CC[NH+](C)CC3)cc2)cc1 ZINC000126489544 823881974 /nfs/dbraw/zinc/88/19/74/823881974.db2.gz VTBJZCWNWXWOEC-UHFFFAOYSA-N 1 0 380.488 4.095 20 0 GIADRO COc1ccccc1CC(=O)N1CCC([NH2+][C@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000126489891 823882317 /nfs/dbraw/zinc/88/23/17/823882317.db2.gz MBJCPIVUWPAQPW-OFNKIYASSA-N 1 0 392.543 4.155 20 0 GIADRO FC(F)(F)CN1CCC(CC[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000166774292 823882524 /nfs/dbraw/zinc/88/25/24/823882524.db2.gz JMPMWLUOLUEMCY-AZUAARDMSA-N 1 0 384.486 4.408 20 0 GIADRO Cc1noc(C)c1C[C@@H](C)NC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000126491155 823882700 /nfs/dbraw/zinc/88/27/00/823882700.db2.gz RDKPNJCAWAGRQB-QGZVFWFLSA-N 1 0 398.551 4.098 20 0 GIADRO O=C(NC[C@@H](Cc1ccccc1)C(F)(F)F)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000462228600 823882664 /nfs/dbraw/zinc/88/26/64/823882664.db2.gz OPWRZNAHCXLGIZ-MOPGFXCFSA-N 1 0 397.485 4.068 20 0 GIADRO c1cn(CCc2ccccc2)c(C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)n1 ZINC000166802049 823883105 /nfs/dbraw/zinc/88/31/05/823883105.db2.gz VOGLQZFFWOLJPQ-FYYLOGMGSA-N 1 0 375.516 4.383 20 0 GIADRO CCc1noc(CC)c1C[NH2+][C@@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000166934252 823884450 /nfs/dbraw/zinc/88/44/50/823884450.db2.gz OFCIIYDOPKGSIR-LBPRGKRZSA-N 1 0 383.414 4.325 20 0 GIADRO CCc1noc(CC)c1C[NH2+][C@@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000166993646 823885052 /nfs/dbraw/zinc/88/50/52/823885052.db2.gz BKXOOXFIBHHECX-LBPRGKRZSA-N 1 0 399.413 4.205 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccc(F)cc2CSC)cc1 ZINC000167121805 823886547 /nfs/dbraw/zinc/88/65/47/823886547.db2.gz FNFOGCDIOFWHNX-AWEZNQCLSA-N 1 0 396.553 4.301 20 0 GIADRO CCOCCOc1cc(C)ccc1C[NH2+][C@H](C)c1ccc2c(c1)OCCCO2 ZINC000167145715 823886962 /nfs/dbraw/zinc/88/69/62/823886962.db2.gz VRBKDJWTNDCYOV-GOSISDBHSA-N 1 0 385.504 4.422 20 0 GIADRO C[NH+](C)CCCCC(=O)Nc1cc(-c2cccs2)nn1Cc1ccccc1 ZINC000575013193 823887715 /nfs/dbraw/zinc/88/77/15/823887715.db2.gz DQXNIMBWULNORW-UHFFFAOYSA-N 1 0 382.533 4.330 20 0 GIADRO O=C(c1ccoc1)N1CCC([NH2+]Cc2ccc(Br)c(Cl)c2)CC1 ZINC000192165678 823888710 /nfs/dbraw/zinc/88/87/10/823888710.db2.gz LQMGCFZGIZWVBN-UHFFFAOYSA-N 1 0 397.700 4.090 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(C)cc2OC[C@H]2CCOC2)c(OC)c1 ZINC000167210658 823888748 /nfs/dbraw/zinc/88/87/48/823888748.db2.gz WXWQCQUAUXVSMB-MSOLQXFVSA-N 1 0 385.504 4.278 20 0 GIADRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)c1ccnc(OCc2ccccc2)c1)c1ccco1 ZINC000575016274 823888951 /nfs/dbraw/zinc/88/89/51/823888951.db2.gz KSPNZXFFJLVPGF-XLIONFOSSA-N 1 0 393.487 4.113 20 0 GIADRO Cc1ccc(C[NH2+][C@H](C)c2ccc3c(c2)OCCO3)c(OC[C@H]2CCOC2)c1 ZINC000167195067 823889030 /nfs/dbraw/zinc/88/90/30/823889030.db2.gz FDFCJNUDTTUICE-MSOLQXFVSA-N 1 0 383.488 4.032 20 0 GIADRO CC(C)CC(=O)N1CCC([NH2+]Cc2ccc(Br)c(Cl)c2)CC1 ZINC000192166746 823889219 /nfs/dbraw/zinc/88/92/19/823889219.db2.gz MCPZUZZNVQMFFF-UHFFFAOYSA-N 1 0 387.749 4.229 20 0 GIADRO CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000414013343 823889496 /nfs/dbraw/zinc/88/94/96/823889496.db2.gz GOOWVCUCBJDDEN-SFHVURJKSA-N 1 0 395.547 4.244 20 0 GIADRO CC(C)n1nc(-c2ccccc2)cc1NC(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000575021469 823889900 /nfs/dbraw/zinc/88/99/00/823889900.db2.gz MZHYZZBIIXILMP-UHFFFAOYSA-N 1 0 381.524 4.127 20 0 GIADRO CSc1cccc(C)c1NC(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000575022081 823890535 /nfs/dbraw/zinc/89/05/35/823890535.db2.gz DHXSNTXWHASCSG-FUHWJXTLSA-N 1 0 387.524 4.371 20 0 GIADRO C[C@H]1CC[N@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)CCS1 ZINC000192174417 823891483 /nfs/dbraw/zinc/89/14/83/823891483.db2.gz KLFFVGCEUWANPH-ZDUSSCGKSA-N 1 0 378.339 4.234 20 0 GIADRO C[C@@H]1CC[N@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)CCS1 ZINC000192174411 823891531 /nfs/dbraw/zinc/89/15/31/823891531.db2.gz KLFFVGCEUWANPH-CYBMUJFWSA-N 1 0 378.339 4.234 20 0 GIADRO C[C@@H]1C[C@H](N(C)c2nnc(-c3ccccc3F)n2C)CC[N@@H+]1Cc1ccccc1 ZINC000575028167 823892995 /nfs/dbraw/zinc/89/29/95/823892995.db2.gz VGBQTTFPYRQXQV-IEBWSBKVSA-N 1 0 393.510 4.111 20 0 GIADRO C[C@H]1C[C@H](N(C)c2nnc(-c3ccccc3F)n2C)CC[N@@H+]1Cc1ccccc1 ZINC000575028169 823893144 /nfs/dbraw/zinc/89/31/44/823893144.db2.gz VGBQTTFPYRQXQV-PKOBYXMFSA-N 1 0 393.510 4.111 20 0 GIADRO CC(C)CC(=O)Nc1cccc(CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000064826979 823893299 /nfs/dbraw/zinc/89/32/99/823893299.db2.gz BQPIIBCUERISOK-UHFFFAOYSA-N 1 0 393.531 4.197 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc(-n2cnnn2)cc1 ZINC000167565453 823893515 /nfs/dbraw/zinc/89/35/15/823893515.db2.gz STEPLFWWKKIDRT-MRXNPFEDSA-N 1 0 395.470 4.056 20 0 GIADRO CSC1(CNC(=O)Nc2cccc(COC(C)(C)C)c2C)CC[NH+](C)CC1 ZINC000575030624 823893576 /nfs/dbraw/zinc/89/35/76/823893576.db2.gz MXJHCHZTXVWGGY-UHFFFAOYSA-N 1 0 393.597 4.259 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1cccc(-c2nccs2)c1 ZINC000462244608 823893737 /nfs/dbraw/zinc/89/37/37/823893737.db2.gz LJZINIBBLIKMNV-UZLBHIALSA-N 1 0 392.528 4.452 20 0 GIADRO C[C@@H](NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)c1ccc(N2CCOC2=O)cc1 ZINC000167853479 823896872 /nfs/dbraw/zinc/89/68/72/823896872.db2.gz KYXUIAOQZUSNKF-MSOLQXFVSA-N 1 0 381.520 4.423 20 0 GIADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]CC(C)(C)N[C@H](C)c1ccccc1 ZINC000167848606 823897005 /nfs/dbraw/zinc/89/70/05/823897005.db2.gz OIFHDCVDWVFHIA-HZPDHXFCSA-N 1 0 388.943 4.171 20 0 GIADRO Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2CN2C(=O)NC3(CCCCC3)C2=O)o1 ZINC000167898356 823897703 /nfs/dbraw/zinc/89/77/03/823897703.db2.gz VYTBKFNEZPWUHV-QGZVFWFLSA-N 1 0 395.503 4.194 20 0 GIADRO C[C@@H](C(=O)N[C@@H](C)c1ccc(OCc2cccnc2)cc1)[C@H]([NH3+])c1ccccc1 ZINC000575043140 823898240 /nfs/dbraw/zinc/89/82/40/823898240.db2.gz JWVAIGFAEJBQEJ-STSQHVNTSA-N 1 0 389.499 4.174 20 0 GIADRO CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000575041031 823898356 /nfs/dbraw/zinc/89/83/56/823898356.db2.gz HWVGMNNQNTUAHD-UHFFFAOYSA-N 1 0 388.515 4.335 20 0 GIADRO C[C@@H](C(=O)N[C@@H](C)c1ccc(OCc2cccnc2)cc1)[C@@H]([NH3+])c1ccccc1 ZINC000575043138 823898436 /nfs/dbraw/zinc/89/84/36/823898436.db2.gz JWVAIGFAEJBQEJ-IEGUWTFLSA-N 1 0 389.499 4.174 20 0 GIADRO COC(=O)c1cnc([C@@H](C)[NH2+]C[C@@H]2CCN(c3cc(Cl)ccc3C)C2)s1 ZINC000414061283 823898339 /nfs/dbraw/zinc/89/83/39/823898339.db2.gz AOYORNQCYLYDIQ-KGLIPLIRSA-N 1 0 393.940 4.069 20 0 GIADRO Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+]CCc1nnc2n1CCCCC2 ZINC000126558932 823898672 /nfs/dbraw/zinc/89/86/72/823898672.db2.gz OYTVRUCMNLGTOE-CQSZACIVSA-N 1 0 399.539 4.469 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(c2ncccc2F)C1)c1ccc(F)c(Br)c1 ZINC000168127145 823900110 /nfs/dbraw/zinc/90/01/10/823900110.db2.gz QGQDCFMUOAWKCH-WCQYABFASA-N 1 0 382.252 4.052 20 0 GIADRO CS(=O)(=O)c1ccc(OCC[NH2+][C@@H]2CC[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000414067627 823900433 /nfs/dbraw/zinc/90/04/33/823900433.db2.gz ANZTVGCQBGNTPL-FUHWJXTLSA-N 1 0 393.936 4.048 20 0 GIADRO C[C@@H](CN1CCCC1=O)[NH2+][C@@H](c1ccccc1)c1cccc(Br)c1 ZINC000414069155 823900656 /nfs/dbraw/zinc/90/06/56/823900656.db2.gz KHHDYFCGQOOEPE-YWZLYKJASA-N 1 0 387.321 4.139 20 0 GIADRO C[C@H](CN1CCCC1=O)[NH2+][C@@H](c1ccccc1)c1cccc(Br)c1 ZINC000414069064 823900852 /nfs/dbraw/zinc/90/08/52/823900852.db2.gz KHHDYFCGQOOEPE-QRWLVFNGSA-N 1 0 387.321 4.139 20 0 GIADRO COC(=O)c1cnc([C@H](C)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)s1 ZINC000414071513 823901240 /nfs/dbraw/zinc/90/12/40/823901240.db2.gz LYBZBNFVNHWWLN-WMZOPIPTSA-N 1 0 387.549 4.054 20 0 GIADRO COC(=O)c1cnc([C@H](C)[NH2+]CCc2ccc(-c3csc(C)n3)s2)s1 ZINC000414073993 823901898 /nfs/dbraw/zinc/90/18/98/823901898.db2.gz WKSZNJROZPGENK-JTQLQIEISA-N 1 0 393.559 4.316 20 0 GIADRO CC1(C)CN(c2c(C(=O)[O-])c[nH+]c3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000575062614 823902027 /nfs/dbraw/zinc/90/20/27/823902027.db2.gz UABRFBYASZLCGK-UHFFFAOYSA-N 1 0 375.472 4.034 20 0 GIADRO Cc1cc(Cl)c2c(c1)[C@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)CCCO2 ZINC000126572504 823902339 /nfs/dbraw/zinc/90/23/39/823902339.db2.gz CYDWYGXAODDIOP-LJQANCHMSA-N 1 0 393.936 4.197 20 0 GIADRO COc1cc(Cl)c(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1C ZINC000575066484 823902601 /nfs/dbraw/zinc/90/26/01/823902601.db2.gz UICVJBPRRFGSOU-KBXCAEBGSA-N 1 0 377.916 4.138 20 0 GIADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](c2ccccc2F)C2CCCC2)cc1 ZINC000168496758 823903000 /nfs/dbraw/zinc/90/30/00/823903000.db2.gz CNNNAYGANXNLDJ-BTYIYWSLSA-N 1 0 390.524 4.316 20 0 GIADRO COc1ccc2oc(C[NH2+]Cc3ccc(C)cc3OC[C@@H]3CCOC3)cc2c1 ZINC000126575501 823903435 /nfs/dbraw/zinc/90/34/35/823903435.db2.gz KAKSZTIJFBQKBV-QGZVFWFLSA-N 1 0 381.472 4.455 20 0 GIADRO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000192210668 823904020 /nfs/dbraw/zinc/90/40/20/823904020.db2.gz NUWPSXJXDMDGJW-HOTGVXAUSA-N 1 0 398.732 4.329 20 0 GIADRO C[C@@H]([NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1cc2n(n1)CCC2 ZINC000414080926 823904247 /nfs/dbraw/zinc/90/42/47/823904247.db2.gz DNYCZXYAYNQTPM-CQSZACIVSA-N 1 0 393.362 4.451 20 0 GIADRO Cc1ccc(OC(F)F)c(C[NH2+][C@H](C)CC(=O)Nc2cccnc2Cl)c1 ZINC000168603913 823905041 /nfs/dbraw/zinc/90/50/41/823905041.db2.gz SEZCTZCLMFHHDA-GFCCVEGCSA-N 1 0 383.826 4.152 20 0 GIADRO C[C@@H]([NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1)c1cc2n(n1)CCC2 ZINC000414085062 823905586 /nfs/dbraw/zinc/90/55/86/823905586.db2.gz YKLMFCUVTYMVNW-OAHLLOKOSA-N 1 0 393.453 4.247 20 0 GIADRO O=C(c1cccc(C[NH2+][C@@H]2CC[C@H](c3cccc(Cl)c3)C2)c1)N1CCOCC1 ZINC000414085869 823906044 /nfs/dbraw/zinc/90/60/44/823906044.db2.gz YXDGWGQNKJLYLG-SIKLNZKXSA-N 1 0 398.934 4.238 20 0 GIADRO CC[C@H]([NH2+][C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1)[C@@H]1C[C@@H]1C ZINC000414087243 823906083 /nfs/dbraw/zinc/90/60/83/823906083.db2.gz BELXCUQGLMRWCA-MYDCNYLUSA-N 1 0 375.509 4.343 20 0 GIADRO Brc1cccc([C@H]([NH2+][C@H]2CCc3n[nH]cc3C2)c2ccccc2)c1 ZINC000414090074 823907006 /nfs/dbraw/zinc/90/70/06/823907006.db2.gz KOFAANNEDKDNDK-AZUAARDMSA-N 1 0 382.305 4.409 20 0 GIADRO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc(Cl)cc1Cl ZINC000192219751 823907469 /nfs/dbraw/zinc/90/74/69/823907469.db2.gz YFSAAVVYQKPRCX-KRWDZBQOSA-N 1 0 393.314 4.014 20 0 GIADRO CN(Cc1ccccc1)c1ccccc1NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000168985022 823907558 /nfs/dbraw/zinc/90/75/58/823907558.db2.gz KAYBEBILNJAXOS-IRLDBZIGSA-N 1 0 392.547 4.271 20 0 GIADRO NC(=O)C1CCC([NH2+][C@H](c2ccccc2)c2cccc(Br)c2)CC1 ZINC000414105281 823910795 /nfs/dbraw/zinc/91/07/95/823910795.db2.gz VXKOAISZGKQABV-XUJQIHCRSA-N 1 0 387.321 4.172 20 0 GIADRO C[C@H]([NH2+]C[C@@H]1C[C@@H](O)CN1Cc1ccccc1)c1csc(-c2ccccc2)n1 ZINC000414106742 823911196 /nfs/dbraw/zinc/91/11/96/823911196.db2.gz RHEAUQABDNPFIK-DZFGPLHGSA-N 1 0 393.556 4.096 20 0 GIADRO Cc1cnn([C@@H]2CCN([C@@H](c3nc(-c4ccccc4)no3)c3ccccc3)C2)c1 ZINC000575097936 823911864 /nfs/dbraw/zinc/91/18/64/823911864.db2.gz UTYFTWSAFCGZDK-NHCUHLMSSA-N 1 0 385.471 4.278 20 0 GIADRO O=C1C[C@@H]([N@@H+]2CC[C@H](Cc3ccccc3)C2)C(=O)N1c1cccc2ccccc21 ZINC000462285608 823912805 /nfs/dbraw/zinc/91/28/05/823912805.db2.gz BXQMDEWHPIHMSO-AUSIDOKSSA-N 1 0 384.479 4.036 20 0 GIADRO C[C@H]([NH2+][C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1)[C@H]1C[C@H]1C ZINC000414117061 823913521 /nfs/dbraw/zinc/91/35/21/823913521.db2.gz RQFMWOCUHWHWHP-BBNYVJOESA-N 1 0 377.937 4.467 20 0 GIADRO C[C@@H]1C(=O)CC[C@@H](C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)C1(C)C ZINC000575103350 823913653 /nfs/dbraw/zinc/91/36/53/823913653.db2.gz UKWSHAMONRRKDX-NRSPTQNISA-N 1 0 384.564 4.046 20 0 GIADRO CS(=O)(=O)Cc1ccccc1C[NH2+][C@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000414119511 823913684 /nfs/dbraw/zinc/91/36/84/823913684.db2.gz WMZAZGZGUOIUDG-UZLBHIALSA-N 1 0 377.937 4.311 20 0 GIADRO COC(=O)c1cnc([C@@H](C)NCc2cccc(C[NH+]3CCC(C)CC3)c2)s1 ZINC000414124089 823914522 /nfs/dbraw/zinc/91/45/22/823914522.db2.gz OYCRQPUKGLSYRJ-MRXNPFEDSA-N 1 0 387.549 4.012 20 0 GIADRO COC(=O)c1cnc([C@@H](C)NCc2ccccc2C[NH+]2CCCCCC2)s1 ZINC000414122591 823914586 /nfs/dbraw/zinc/91/45/86/823914586.db2.gz OAIDVSAEJNIXMG-MRXNPFEDSA-N 1 0 387.549 4.157 20 0 GIADRO CC(C)c1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)CCCO2 ZINC000126628775 823915149 /nfs/dbraw/zinc/91/51/49/823915149.db2.gz NGDXLDUQKBHSEU-NRFANRHFSA-N 1 0 387.545 4.358 20 0 GIADRO CCc1ccc(C[C@@H](Cc2ccc(Cl)cc2)[NH2+]CCc2cn(C)cn2)nc1 ZINC000414127925 823915508 /nfs/dbraw/zinc/91/55/08/823915508.db2.gz QWAQLEOJHQCHOG-JOCHJYFZSA-N 1 0 382.939 4.017 20 0 GIADRO COc1ccc(C[NH2+][C@H](C)c2c(C)nn(CC(F)(F)F)c2C)c(C)c1OC ZINC000575112612 823915664 /nfs/dbraw/zinc/91/56/64/823915664.db2.gz XYZGTOOCOVLLRQ-GFCCVEGCSA-N 1 0 385.430 4.239 20 0 GIADRO CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(C)c(F)c2)c1 ZINC000126635057 823916064 /nfs/dbraw/zinc/91/60/64/823916064.db2.gz AZPKCKPGOMRIAZ-SJORKVTESA-N 1 0 399.510 4.294 20 0 GIADRO Cc1csc([C@H](C)C[NH2+]C[C@@H](O)COC(c2ccccc2)c2ccccc2)n1 ZINC000575117814 823916892 /nfs/dbraw/zinc/91/68/92/823916892.db2.gz IEUFDZPBQDXGJU-DYESRHJHSA-N 1 0 396.556 4.312 20 0 GIADRO CC(=O)NCCc1ccc([C@@H](C)[NH2+]Cc2ccc(Br)c(C)c2)cc1 ZINC000414137016 823917161 /nfs/dbraw/zinc/91/71/61/823917161.db2.gz FZMXMPKTJWHTRI-OAHLLOKOSA-N 1 0 389.337 4.287 20 0 GIADRO CS(=O)(=O)c1cccc([C@H]([NH2+][C@H]2CCC[C@@H](F)C2)c2ccc(F)cc2F)c1 ZINC000575123132 823917772 /nfs/dbraw/zinc/91/77/72/823917772.db2.gz XNOIMBRWMNAAIR-IIMJZQEZSA-N 1 0 397.462 4.328 20 0 GIADRO Cc1c(Cl)c(C(=O)Nc2ccc(SCC[NH+]3CCCCC3)cc2)nn1C ZINC000575125496 823918221 /nfs/dbraw/zinc/91/82/21/823918221.db2.gz GJNCRFPWUATTHF-UHFFFAOYSA-N 1 0 392.956 4.212 20 0 GIADRO O=C(Nc1nc2ccc(Oc3ccccc3)cc2s1)[C@H]1CCn2cncc2C1 ZINC000126652205 823919876 /nfs/dbraw/zinc/91/98/76/823919876.db2.gz LSNVZIGVXQGTSN-AWEZNQCLSA-N 1 0 390.468 4.486 20 0 GIADRO C[C@]1(O)CCOC[C@@H]1[C@H]1CCC[N@@H+]1[C@H](c1ccc(Cl)cc1)C1CCOCC1 ZINC000575134567 823920825 /nfs/dbraw/zinc/92/08/25/823920825.db2.gz BTZHSKSLGRXYSK-YSFYHYPLSA-N 1 0 393.955 4.060 20 0 GIADRO C[C@@H]([NH2+]CCn1cc(Br)cn1)c1csc(-c2ccccc2)n1 ZINC000414167647 823921586 /nfs/dbraw/zinc/92/15/86/823921586.db2.gz SXDFMVWSPWEZDX-GFCCVEGCSA-N 1 0 377.311 4.120 20 0 GIADRO C[C@H]([NH2+][C@H]1c2sccc2OC(C)(C)[C@@H]1O)c1ccc(Br)s1 ZINC000414166581 823921880 /nfs/dbraw/zinc/92/18/80/823921880.db2.gz FEKRREUDCPGHDL-ORUWWINDSA-N 1 0 388.352 4.496 20 0 GIADRO Clc1ccc2c(c1)[C@H]([NH2+]CCc1nnc3n1CCCCC3)CCCS2 ZINC000126666986 823922958 /nfs/dbraw/zinc/92/29/58/823922958.db2.gz LEKKUBOYJLMMOZ-MRXNPFEDSA-N 1 0 376.957 4.417 20 0 GIADRO COc1ccc([C@@H](CO)C[NH2+][C@@H](C)c2ccc(Oc3ccccc3)cn2)cc1 ZINC000414176065 823923469 /nfs/dbraw/zinc/92/34/69/823923469.db2.gz IWXSULPKPSBBJT-PKOBYXMFSA-N 1 0 378.472 4.309 20 0 GIADRO Cc1ccc[n+](C(C(=O)c2ccc(Cl)s2)C(=S)NCC(F)(F)F)c1 ZINC000170637260 823923706 /nfs/dbraw/zinc/92/37/06/823923706.db2.gz YPTFRVBXSZWLOY-UHFFFAOYSA-O 1 0 393.863 4.088 20 0 GIADRO COc1ccc([C@H](CO)C[NH2+][C@H](C)c2ccc(OCC(F)(F)F)cc2)cc1 ZINC000414186260 823924557 /nfs/dbraw/zinc/92/45/57/823924557.db2.gz PMUTULQPUMLDKM-PBHICJAKSA-N 1 0 383.410 4.063 20 0 GIADRO C#CCOc1ccccc1C[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000065014633 823924897 /nfs/dbraw/zinc/92/48/97/823924897.db2.gz LVRPIFFXFREOCL-UHFFFAOYSA-N 1 0 385.389 4.193 20 0 GIADRO Cc1cc(Cl)ccc1S(=O)(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000462326030 823925417 /nfs/dbraw/zinc/92/54/17/823925417.db2.gz JHMSDPCOQYPGCT-KSSFIOAISA-N 1 0 398.981 4.071 20 0 GIADRO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2Oc2cccnc2)C1 ZINC000170647141 823925814 /nfs/dbraw/zinc/92/58/14/823925814.db2.gz SRJMVSOSVKOAAU-KRWDZBQOSA-N 1 0 383.492 4.221 20 0 GIADRO Cc1[nH]c2ccc(CNC(=O)NC[C@H](C)[N@@H+]3CCc4ccccc4C3)cc2c1C ZINC000065018546 823926003 /nfs/dbraw/zinc/92/60/03/823926003.db2.gz AISHOZJELWJXGV-INIZCTEOSA-N 1 0 390.531 4.031 20 0 GIADRO COc1ccc([C@H](CO)C[NH2+][C@H](C)c2cc(Br)ccc2F)cc1 ZINC000414196718 823926116 /nfs/dbraw/zinc/92/61/16/823926116.db2.gz VXLYTCYXEPYKFI-OCCSQVGLSA-N 1 0 382.273 4.024 20 0 GIADRO Cc1[nH]c2ccc(CNC(=O)NCc3ccc(C[NH+]4CCCC4)cc3)cc2c1C ZINC000065019077 823926052 /nfs/dbraw/zinc/92/60/52/823926052.db2.gz BLRZPXSEFMGNBV-UHFFFAOYSA-N 1 0 390.531 4.380 20 0 GIADRO CC(C)C[C@@H]1C[C@H]1[NH2+][C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000414198860 823926437 /nfs/dbraw/zinc/92/64/37/823926437.db2.gz ZZJFQIDTJFKMHV-DUXKGJEZSA-N 1 0 375.509 4.343 20 0 GIADRO COc1ccc([C@H](CO)C[NH2+][C@@H](C)c2csc(-c3ccccc3F)n2)cc1 ZINC000414200250 823927338 /nfs/dbraw/zinc/92/73/38/823927338.db2.gz XRBYVOXFYXEWFQ-HOCLYGCPSA-N 1 0 386.492 4.385 20 0 GIADRO C[C@@H]([NH2+]CCc1nnc2n1CCCCC2)c1cc(Cl)ccc1OC(F)F ZINC000126689285 823927617 /nfs/dbraw/zinc/92/76/17/823927617.db2.gz KWQPXAQMNSWYCT-GFCCVEGCSA-N 1 0 384.858 4.153 20 0 GIADRO COc1ccc([C@@H](CO)C[NH2+][C@H](C)c2cc(C)c(Br)s2)cc1 ZINC000414202358 823927602 /nfs/dbraw/zinc/92/76/02/823927602.db2.gz ZAWFYXFZWMDSDP-TZMCWYRMSA-N 1 0 384.339 4.254 20 0 GIADRO CC(=O)Nc1ccc(CC[NH2+][C@@H](C)c2ccc(Br)cc2F)cc1 ZINC000126690362 823928132 /nfs/dbraw/zinc/92/81/32/823928132.db2.gz FPEOFXSYIAWVAA-LBPRGKRZSA-N 1 0 379.273 4.440 20 0 GIADRO COc1ccc2oc([C@@H](C)[NH2+][C@H](C)C(=O)Nc3ccccc3OC)c(C)c2c1 ZINC000575162800 823928462 /nfs/dbraw/zinc/92/84/62/823928462.db2.gz LETRCMQFWSAVMP-HUUCEWRRSA-N 1 0 382.460 4.436 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H](C)C2CCC(F)(F)CC2)c1 ZINC000414206019 823928753 /nfs/dbraw/zinc/92/87/53/823928753.db2.gz DWSBWEPKILRIFL-GFCCVEGCSA-N 1 0 379.900 4.437 20 0 GIADRO CN(C(=O)/C=C/c1c(Cl)cccc1Cl)C1CC[NH+](C2CCOCC2)CC1 ZINC000065040021 823928840 /nfs/dbraw/zinc/92/88/40/823928840.db2.gz LSWOEIVBRPVTKD-AATRIKPKSA-N 1 0 397.346 4.108 20 0 GIADRO CSc1ccc(C[NH2+]C[C@H](CO)Cc2ccccc2C(F)(F)F)s1 ZINC000575167586 823929698 /nfs/dbraw/zinc/92/96/98/823929698.db2.gz JKHNFJBFRZNKGH-GFCCVEGCSA-N 1 0 375.481 4.430 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)[C@@H](C)c2ccc(OC)cc2)c1 ZINC000414213022 823930506 /nfs/dbraw/zinc/93/05/06/823930506.db2.gz RVKHUGRPMNAMHI-CABCVRRESA-N 1 0 395.952 4.424 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)c2ccc(F)c(OC)c2)c1 ZINC000414214967 823930801 /nfs/dbraw/zinc/93/08/01/823930801.db2.gz WFVUWKQBOJRZLW-LBPRGKRZSA-N 1 0 385.888 4.132 20 0 GIADRO CCCOc1ccc(Br)cc1C[NH2+][C@@H](CCO)c1ccccc1 ZINC000462340020 823930906 /nfs/dbraw/zinc/93/09/06/823930906.db2.gz WNSSYBICNQZWKS-SFHVURJKSA-N 1 0 378.310 4.451 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H]2c3cc(C)ccc3C[C@@H]2C)c1 ZINC000414216251 823931624 /nfs/dbraw/zinc/93/16/24/823931624.db2.gz ZKBKKXIHMYNWAA-VBKZILBWSA-N 1 0 377.937 4.465 20 0 GIADRO CCc1c(NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cnn1C(CC)CC ZINC000575182596 823933337 /nfs/dbraw/zinc/93/33/37/823933337.db2.gz BYPPPFLEYJLUGB-SFHVURJKSA-N 1 0 375.561 4.289 20 0 GIADRO COc1cc([C@H](C)[NH2+]CCCc2ccncc2)ccc1OCc1ccncc1 ZINC000462345389 823933453 /nfs/dbraw/zinc/93/34/53/823933453.db2.gz XLQFDMYADXDTMX-SFHVURJKSA-N 1 0 377.488 4.348 20 0 GIADRO C[C@@H]1[C@H](c2ccc(Br)cc2)OCC[N@@H+]1CCCc1ccncc1 ZINC000462346120 823933530 /nfs/dbraw/zinc/93/35/30/823933530.db2.gz CGNIOFSNMLHNIS-DNVCBOLYSA-N 1 0 375.310 4.239 20 0 GIADRO C[C@@H]1C[C@H]([NH2+][C@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)CS1 ZINC000414226112 823933556 /nfs/dbraw/zinc/93/35/56/823933556.db2.gz JNVAFLUPSGYXFG-XVGQJIODSA-N 1 0 395.977 4.317 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)Nc1cncc(Br)c1 ZINC000126715842 823934187 /nfs/dbraw/zinc/93/41/87/823934187.db2.gz GBZKWBYOJOQGAR-UHFFFAOYSA-N 1 0 391.313 4.006 20 0 GIADRO CS(=O)(=O)c1ccccc1C[NH2+][C@H]1CCC[C@@H]1Cc1ccc(Cl)cc1 ZINC000414231463 823934733 /nfs/dbraw/zinc/93/47/33/823934733.db2.gz CDYKYQIGHIHEIY-APWZRJJASA-N 1 0 377.937 4.245 20 0 GIADRO CO[C@@](C)([C@H](C)[NH2+]C1CCN(Cc2ccccc2Br)CC1)C1CC1 ZINC000414234373 823935656 /nfs/dbraw/zinc/93/56/56/823935656.db2.gz JDLBQQBAZPHQPY-YWZLYKJASA-N 1 0 395.385 4.207 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(-n2cncn2)cc1)c1ccc(Br)cc1F ZINC000126722252 823935753 /nfs/dbraw/zinc/93/57/53/823935753.db2.gz RGJUQYTVXJXCEX-GFCCVEGCSA-N 1 0 375.245 4.020 20 0 GIADRO C[C@@H](CCNC(=O)Nc1c(F)cc(F)cc1Br)[NH+]1CCCCC1 ZINC000192293347 823936619 /nfs/dbraw/zinc/93/66/19/823936619.db2.gz LVFGIUBSXVEVQN-NSHDSACASA-N 1 0 390.272 4.113 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@@H](C)c2ccc(Br)cc2)cn1 ZINC000414239066 823936929 /nfs/dbraw/zinc/93/69/29/823936929.db2.gz CQSKGGHNUGZARL-DHSIGJKJSA-N 1 0 378.314 4.094 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)cn1 ZINC000414245866 823939321 /nfs/dbraw/zinc/93/93/21/823939321.db2.gz MUHFXEVWXDLBHS-WWPVKYPJSA-N 1 0 379.479 4.499 20 0 GIADRO Cc1cccc(C)c1OC[C@H](C)[NH2+]Cc1cnc2ccc(Br)cn12 ZINC000462359540 823940370 /nfs/dbraw/zinc/94/03/70/823940370.db2.gz MQOYCTFYYBMWNJ-HNNXBMFYSA-N 1 0 388.309 4.271 20 0 GIADRO O[C@@H]1CCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000575212573 823940612 /nfs/dbraw/zinc/94/06/12/823940612.db2.gz FDDVARRMCIAZHH-VNQPRFMTSA-N 1 0 382.291 4.169 20 0 GIADRO CCOc1c(Br)cc(C[NH2+][C@H]2C[C@@H]2C(F)F)cc1Br ZINC000575213146 823940850 /nfs/dbraw/zinc/94/08/50/823940850.db2.gz XIDJOINBVFAHRL-KWQFWETISA-N 1 0 399.073 4.354 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@H]2CCc3ccc(Br)cc32)cn1 ZINC000414250139 823940976 /nfs/dbraw/zinc/94/09/76/823940976.db2.gz QXLZGJVHPGJKTK-ZOCIIQOWSA-N 1 0 390.325 4.020 20 0 GIADRO Cc1ccc(Br)c(C[NH2+][C@@H](C)c2ccc(C(=O)N(C)C)cc2)c1 ZINC000414251107 823941216 /nfs/dbraw/zinc/94/12/16/823941216.db2.gz GVHZFOLCTHETLF-AWEZNQCLSA-N 1 0 375.310 4.310 20 0 GIADRO C[C@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1=O)c1ccc(Cl)c2ccccc21 ZINC000462363105 823941625 /nfs/dbraw/zinc/94/16/25/823941625.db2.gz RZZORDGTHYSJFV-XOBRGWDASA-N 1 0 382.895 4.073 20 0 GIADRO CC(=O)NCCc1ccc([C@@H](C)[NH2+]Cc2cc(C)ccc2Br)cc1 ZINC000414255488 823942868 /nfs/dbraw/zinc/94/28/68/823942868.db2.gz JRKGDIDBAASHBZ-OAHLLOKOSA-N 1 0 389.337 4.287 20 0 GIADRO C[C@@H]1N(C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)CCC12CCOCC2 ZINC000575218072 823942903 /nfs/dbraw/zinc/94/29/03/823942903.db2.gz QIPFKQZRUOTSCD-FQEVSTJZSA-N 1 0 399.579 4.019 20 0 GIADRO C[C@@H](NC(=O)Nc1cc(Cl)c(N)c(Cl)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000192314216 823943702 /nfs/dbraw/zinc/94/37/02/823943702.db2.gz MJQLHVGQYZJRGU-NEPJUHHUSA-N 1 0 385.339 4.350 20 0 GIADRO C[C@H]([NH2+]CCC(C)(C)S(C)(=O)=O)c1ccc2ccccc2c1OC(F)F ZINC000414258425 823943978 /nfs/dbraw/zinc/94/39/78/823943978.db2.gz LYGISUVGNOPDEX-ZDUSSCGKSA-N 1 0 385.476 4.305 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)N(C)CCc1nccs1)c1ccccc1Cl ZINC000126761233 823944161 /nfs/dbraw/zinc/94/41/61/823944161.db2.gz JIZCBBFKRKMVBD-KRWDZBQOSA-N 1 0 394.972 4.064 20 0 GIADRO CS(=O)(=O)Cc1ccccc1C[NH2+][C@@H]1CCCOc2cc3c(cc21)CCCC3 ZINC000126772134 823947593 /nfs/dbraw/zinc/94/75/93/823947593.db2.gz HCDMEXOCGPQREQ-JOCHJYFZSA-N 1 0 399.556 4.114 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Cc1c(C)noc1C)c1ccc(C(F)(F)F)cc1 ZINC000065121887 823947446 /nfs/dbraw/zinc/94/74/46/823947446.db2.gz UTUOBXDPTWXFNW-SFHVURJKSA-N 1 0 397.441 4.052 20 0 GIADRO CNC(=O)c1cccc(CNc2c(C)c(C)[nH+]c3ccc(Br)cc32)c1 ZINC000462374846 823947862 /nfs/dbraw/zinc/94/78/62/823947862.db2.gz ZRDQSYVLFCRDQF-UHFFFAOYSA-N 1 0 398.304 4.008 20 0 GIADRO CCOc1ccc2cc(C(=O)N[C@H]3CC[N@@H+]([C@@H](C)c4ccccc4)C3)[nH]c2c1 ZINC000065141104 823950430 /nfs/dbraw/zinc/95/04/30/823950430.db2.gz GZVKZULVXMLCDX-LPHOPBHVSA-N 1 0 377.488 4.132 20 0 GIADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@H](C)CC(F)(F)F ZINC000414279781 823950526 /nfs/dbraw/zinc/95/05/26/823950526.db2.gz JWPDSCDDJOWEFI-WDEREUQCSA-N 1 0 381.236 4.344 20 0 GIADRO Cc1nc(C(C)(C)[NH2+]C[C@@H](O)CO[C@H](C)c2ccc(Cl)cc2)sc1C ZINC000126785167 823950873 /nfs/dbraw/zinc/95/08/73/823950873.db2.gz QQDQCTVUZKRXBH-CXAGYDPISA-N 1 0 382.957 4.377 20 0 GIADRO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+]C[C@H](C)CC(F)(F)F)cc1 ZINC000414285430 823951458 /nfs/dbraw/zinc/95/14/58/823951458.db2.gz RMZDUMKTGNPQJY-DJIMGWMZSA-N 1 0 377.472 4.258 20 0 GIADRO CCCC[NH+]1CCC(NC(=O)Nc2cnn(-c3ccccc3)c2C(C)C)CC1 ZINC000192341117 823952362 /nfs/dbraw/zinc/95/23/62/823952362.db2.gz KTJDFWULWWVEBE-UHFFFAOYSA-N 1 0 383.540 4.382 20 0 GIADRO C[C@H](C[NH2+][C@@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1)CC(F)(F)F ZINC000414295200 823952987 /nfs/dbraw/zinc/95/29/87/823952987.db2.gz ZPHCILWGPZRORT-ZNMIVQPWSA-N 1 0 382.426 4.162 20 0 GIADRO C[C@H](C[NH2+][C@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1)CC(F)(F)F ZINC000414295199 823953324 /nfs/dbraw/zinc/95/33/24/823953324.db2.gz ZPHCILWGPZRORT-SOUVJXGZSA-N 1 0 382.426 4.162 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)C(C)(C)c1cccc(Cl)c1 ZINC000126797265 823953401 /nfs/dbraw/zinc/95/34/01/823953401.db2.gz VFGAIGIZRBJFKN-UHFFFAOYSA-N 1 0 385.939 4.388 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCCc2c(O)cccc21)C(=O)Nc1ccccc1Br ZINC000192346484 823954911 /nfs/dbraw/zinc/95/49/11/823954911.db2.gz KXYBPTUCYMZCGR-WBMJQRKESA-N 1 0 389.293 4.149 20 0 GIADRO COc1ccc(CN(C(=O)C[N@H+](Cc2ccc(C)s2)C(C)C)C2CC2)cc1 ZINC000065162030 823955030 /nfs/dbraw/zinc/95/50/30/823955030.db2.gz XBZFGHBLOFEELH-UHFFFAOYSA-N 1 0 386.561 4.467 20 0 GIADRO C[C@H]([NH2+][C@H]1CCCc2c(O)cccc21)C(=O)Nc1ccccc1Br ZINC000192346478 823955099 /nfs/dbraw/zinc/95/50/99/823955099.db2.gz KXYBPTUCYMZCGR-LRDDRELGSA-N 1 0 389.293 4.149 20 0 GIADRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+][C@@H]3CCCC(F)(F)[C@H]3O)s2)cc1 ZINC000414310184 823955051 /nfs/dbraw/zinc/95/50/51/823955051.db2.gz ZJBZXMVFRKKSJJ-JGFGOQIWSA-N 1 0 382.476 4.326 20 0 GIADRO CCC(CC)[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)c1cccs1 ZINC000414309667 823955058 /nfs/dbraw/zinc/95/50/58/823955058.db2.gz VJAHUPXFBOXQLA-QGZVFWFLSA-N 1 0 386.970 4.316 20 0 GIADRO Cc1csc(C(=O)Nc2c(C)cnn2[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000575324754 823955952 /nfs/dbraw/zinc/95/59/52/823955952.db2.gz XKMIPVQFRXDKML-GOSISDBHSA-N 1 0 380.517 4.261 20 0 GIADRO O=C1CC[C@@H](c2cccc(NC3CC[NH+](Cc4ccc(Cl)cc4)CC3)c2)N1 ZINC000414314827 823956223 /nfs/dbraw/zinc/95/62/23/823956223.db2.gz LRBGJJKZIBMPML-NRFANRHFSA-N 1 0 383.923 4.368 20 0 GIADRO CCOc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@@H]2CCCc3c(O)cccc32)cc1 ZINC000192354599 823957184 /nfs/dbraw/zinc/95/71/84/823957184.db2.gz QVCCDPHWUUYDRH-FGZHOGPDSA-N 1 0 394.515 4.122 20 0 GIADRO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000192354333 823957475 /nfs/dbraw/zinc/95/74/75/823957475.db2.gz BSUVQAYUWLCCGY-CXAGYDPISA-N 1 0 388.895 4.357 20 0 GIADRO CCOc1c(OC)cc(C[NH2+]Cc2cn(-c3cccc(F)c3)nc2C)cc1OC ZINC000414320612 823957872 /nfs/dbraw/zinc/95/78/72/823957872.db2.gz PVFSXTGAHNJIDY-UHFFFAOYSA-N 1 0 399.466 4.026 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000126817476 823958157 /nfs/dbraw/zinc/95/81/57/823958157.db2.gz IBPUIXXHEYMTJF-NHCUHLMSSA-N 1 0 383.923 4.214 20 0 GIADRO FC(F)(F)c1ccc(-c2nc(CN3CC[C@H]([NH+]4CCCC4)C3)cs2)cc1 ZINC000170742095 823958439 /nfs/dbraw/zinc/95/84/39/823958439.db2.gz IPHFGHREOMDDOS-KRWDZBQOSA-N 1 0 381.467 4.499 20 0 GIADRO OC[C@@H]1CCC[C@H]([NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000414328786 823959321 /nfs/dbraw/zinc/95/93/21/823959321.db2.gz CPLWHGAMQYBRSW-CCKFTAQKSA-N 1 0 382.342 4.058 20 0 GIADRO C[NH+]1CCC(C(=O)NC[C@@H](OCc2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000575347162 823959429 /nfs/dbraw/zinc/95/94/29/823959429.db2.gz NRQWPJPSBFFQEQ-OAQYLSRUSA-N 1 0 386.923 4.056 20 0 GIADRO Cc1nc(-c2cc([C@H](C)[NH2+]CC3(CS(C)(=O)=O)CCC3)cs2)cs1 ZINC000414330652 823959754 /nfs/dbraw/zinc/95/97/54/823959754.db2.gz QAOZXBSPDMKWJP-LBPRGKRZSA-N 1 0 384.592 4.046 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](Cc3ccc(C)cc3)C2)c1 ZINC000575348623 823959746 /nfs/dbraw/zinc/95/97/46/823959746.db2.gz VCOXVNCDPNYLIE-RXVVDRJESA-N 1 0 393.531 4.235 20 0 GIADRO O=C(NCCCCCOC1CCCCC1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000126823883 823959883 /nfs/dbraw/zinc/95/98/83/823959883.db2.gz VTTXBVVWIBHZCB-UGKGYDQZSA-N 1 0 391.600 4.164 20 0 GIADRO C[C@H](OC[C@H](O)C[NH2+][C@@H]1CCCc2c(O)cccc21)c1ccc(Cl)cc1 ZINC000192364508 823959944 /nfs/dbraw/zinc/95/99/44/823959944.db2.gz YBBHNUGOONGXTN-JNAXZKDPSA-N 1 0 375.896 4.151 20 0 GIADRO Brc1ccc(Br)c(C[NH2+][C@@H]2CCC23CCOCC3)c1 ZINC000575349305 823959965 /nfs/dbraw/zinc/95/99/65/823959965.db2.gz XKECOEBDEAQCDY-CQSZACIVSA-N 1 0 389.131 4.260 20 0 GIADRO Cc1ccc(NC(=O)C[NH2+][C@H]2CCCc3c(O)cccc32)c(Br)c1 ZINC000192368202 823960921 /nfs/dbraw/zinc/96/09/21/823960921.db2.gz GCLLGZNJYIFUGL-INIZCTEOSA-N 1 0 389.293 4.069 20 0 GIADRO Cc1cc2ncc([C@@H](C)[NH2+][C@H](C)Cc3cn(C)c4ccc(F)cc34)c(C)n2n1 ZINC000414336118 823960853 /nfs/dbraw/zinc/96/08/53/823960853.db2.gz CSIWMDURKPMNND-UKRRQHHQSA-N 1 0 379.483 4.259 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)Cc1cn(C)c2ccc(F)cc12)c1ccc(S(C)(=O)=O)cc1 ZINC000414337638 823960949 /nfs/dbraw/zinc/96/09/49/823960949.db2.gz DRMQJIBWIXMNDF-LSDHHAIUSA-N 1 0 388.508 4.003 20 0 GIADRO Cc1cc(Br)ccc1NC(=O)C[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000192368307 823961071 /nfs/dbraw/zinc/96/10/71/823961071.db2.gz KCRXFZNDFFLNNN-KRWDZBQOSA-N 1 0 389.293 4.069 20 0 GIADRO COCC1CCC([NH2+]C2CCN(Cc3cccc(Br)c3)CC2)CC1 ZINC000414345089 823961568 /nfs/dbraw/zinc/96/15/68/823961568.db2.gz DCOLOHYPFTYWFO-UHFFFAOYSA-N 1 0 395.385 4.208 20 0 GIADRO CC(=O)NCCc1ccc([C@@H](C)[NH2+][C@@H](C)Cc2cn(C)c3ccc(F)cc23)cc1 ZINC000414355150 823963201 /nfs/dbraw/zinc/96/32/01/823963201.db2.gz YJFDGIQQQJXBQX-DLBZAZTESA-N 1 0 395.522 4.278 20 0 GIADRO Cc1ccc([C@@H]([NH2+][C@@H]2C[C@H]2c2ccco2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000414354334 823963239 /nfs/dbraw/zinc/96/32/39/823963239.db2.gz XHBGIYWZMUDTCI-KCZVDYSFSA-N 1 0 381.497 4.227 20 0 GIADRO CN(C(=O)c1nc(Cl)ccc1Cl)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000126842196 823964303 /nfs/dbraw/zinc/96/43/03/823964303.db2.gz WIJVSBDNFFBPHN-UHFFFAOYSA-N 1 0 394.302 4.140 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(Br)cc2C)cc1F ZINC000170765087 823965114 /nfs/dbraw/zinc/96/51/14/823965114.db2.gz VALOZSJVRMCTSS-LBPRGKRZSA-N 1 0 395.272 4.195 20 0 GIADRO COCC[C@H](NC(=O)[C@H]1C[NH2+]Cc2ccccc21)c1ccc(Cl)c(Cl)c1 ZINC000575399259 823966887 /nfs/dbraw/zinc/96/68/87/823966887.db2.gz YOCHFKZJZMACQJ-LPHOPBHVSA-N 1 0 393.314 4.074 20 0 GIADRO Cc1cc(C(=O)NC2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)c(C)o1 ZINC000170775821 823968106 /nfs/dbraw/zinc/96/81/06/823968106.db2.gz GKBLHDVQUPHHFX-UHFFFAOYSA-N 1 0 396.409 4.189 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1cnccc1C(F)(F)F ZINC000575426830 823969693 /nfs/dbraw/zinc/96/96/93/823969693.db2.gz AVQLQKVVFKWLRF-HNNXBMFYSA-N 1 0 391.437 4.405 20 0 GIADRO Fc1cccc(Cl)c1CC[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000170779624 823970189 /nfs/dbraw/zinc/97/01/89/823970189.db2.gz JGWGTOGOZGOVHI-UHFFFAOYSA-N 1 0 386.858 4.346 20 0 GIADRO COc1ccc(COC[C@H](O)C[N@H+](CC(C)C)[C@@H]2CCCc3cccnc32)cc1 ZINC000126870632 823970886 /nfs/dbraw/zinc/97/08/86/823970886.db2.gz RRDOTCWKSFLKRJ-FYYLOGMGSA-N 1 0 398.547 4.003 20 0 GIADRO O=C(C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1)N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000575441669 823971450 /nfs/dbraw/zinc/97/14/50/823971450.db2.gz HAOINHOXAIOHSZ-GIWBLDEGSA-N 1 0 398.934 4.189 20 0 GIADRO C[C@H](Cc1ccc(Cl)cc1)C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000126872465 823971497 /nfs/dbraw/zinc/97/14/97/823971497.db2.gz XBYJDYGLSXEFMY-QGZVFWFLSA-N 1 0 385.939 4.289 20 0 GIADRO C[N@H+](CC(=O)NCc1ccccc1)[C@H](c1ccc(Cl)cc1)C1CCOCC1 ZINC000575445439 823972131 /nfs/dbraw/zinc/97/21/31/823972131.db2.gz YBVUMWIHFMHZTL-JOCHJYFZSA-N 1 0 386.923 4.056 20 0 GIADRO Cc1occc1C[NH+]1CCC(N(CC(F)(F)F)C(=O)c2ccccc2F)CC1 ZINC000414401690 823972472 /nfs/dbraw/zinc/97/24/72/823972472.db2.gz WJZMFRDHOIIXAP-UHFFFAOYSA-N 1 0 398.400 4.396 20 0 GIADRO C[C@H](CC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C)c1ccc(F)c(Br)c1 ZINC000462436327 823974918 /nfs/dbraw/zinc/97/49/18/823974918.db2.gz MQMFHGUJSBUBJN-QWQRMKEZSA-N 1 0 397.332 4.167 20 0 GIADRO COCCOCc1ccc(C[N@@H+]2CCC[C@@H]2c2nc3ccccc3n2C)cc1 ZINC000575586932 823978404 /nfs/dbraw/zinc/97/84/04/823978404.db2.gz HQSQWURXTHMEFY-JOCHJYFZSA-N 1 0 379.504 4.073 20 0 GIADRO COc1ccccc1[C@H](C)CC(=O)N(C)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000126911535 823979129 /nfs/dbraw/zinc/97/91/29/823979129.db2.gz CZPRHNSWSUVYBW-LJQANCHMSA-N 1 0 396.531 4.326 20 0 GIADRO O=C(Nc1ccccc1-c1nc2ccccc2s1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000575715805 823982397 /nfs/dbraw/zinc/98/23/97/823982397.db2.gz YBIVWWCAADKYMB-CABCVRRESA-N 1 0 378.501 4.322 20 0 GIADRO COc1ccc(C)cc1NC(=O)C[N@H+](CC(C)C)[C@H]1CCCc2cccnc21 ZINC000126926271 823982677 /nfs/dbraw/zinc/98/26/77/823982677.db2.gz MMENYEKTYSACCG-FQEVSTJZSA-N 1 0 381.520 4.373 20 0 GIADRO CC(C)N(C(=O)[C@H](C)[NH+]1CCC(c2noc3cc(F)ccc32)CC1)C(C)C ZINC000575737765 823983635 /nfs/dbraw/zinc/98/36/35/823983635.db2.gz KUHZGUJROZMFMB-HNNXBMFYSA-N 1 0 375.488 4.180 20 0 GIADRO CCc1ncc(C[NH2+][C@H](Cc2ccccn2)c2ccc(Br)cc2)cn1 ZINC000414432600 823984400 /nfs/dbraw/zinc/98/44/00/823984400.db2.gz JGSYURPAPULABP-LJQANCHMSA-N 1 0 397.320 4.270 20 0 GIADRO Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000414435323 823985615 /nfs/dbraw/zinc/98/56/15/823985615.db2.gz QWSQFZFTOXOEGL-IFMALSPDSA-N 1 0 383.442 4.469 20 0 GIADRO O=C([C@H]1C[C@H]1c1ccccc1C(F)(F)F)N1CCC([NH2+]C2CCCC2)CC1 ZINC000126941037 823985861 /nfs/dbraw/zinc/98/58/61/823985861.db2.gz KJIDWLZNAJKONW-ROUUACIJSA-N 1 0 380.454 4.332 20 0 GIADRO CS[C@@H](C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1)c1ccccc1 ZINC000575754037 823986607 /nfs/dbraw/zinc/98/66/07/823986607.db2.gz GRSUJPOEEAAKBO-FXAWDEMLSA-N 1 0 388.602 4.441 20 0 GIADRO CN(C(=O)c1scnc1C(C)(C)C)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000126944536 823986647 /nfs/dbraw/zinc/98/66/47/823986647.db2.gz SFPLWVSSIYAEHP-UHFFFAOYSA-N 1 0 387.549 4.192 20 0 GIADRO Cc1ccc(-n2cc(C[N@@H+]3CC[C@@H](O)[C@@H](C)C3)c(-c3ccc(F)cc3)n2)cc1 ZINC000575756463 823987237 /nfs/dbraw/zinc/98/72/37/823987237.db2.gz JCTJBPMVQWPPSH-HTAPYJJXSA-N 1 0 379.479 4.190 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)Nc1cc(C(F)(F)F)ccn1 ZINC000192425247 823987410 /nfs/dbraw/zinc/98/74/10/823987410.db2.gz VQIDGSHEVARQAW-UHFFFAOYSA-N 1 0 378.398 4.018 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3csc(-c4cnccn4)n3)cc2)C1 ZINC000170841886 823987767 /nfs/dbraw/zinc/98/77/67/823987767.db2.gz GTOVIFDWUPWHIG-HNNXBMFYSA-N 1 0 393.516 4.084 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)C[N@@H+](CC(C)C)[C@H]2CCCc3cccnc32)c1 ZINC000126952529 823987941 /nfs/dbraw/zinc/98/79/41/823987941.db2.gz CMPYCSFVJKXYSL-NRFANRHFSA-N 1 0 394.519 4.014 20 0 GIADRO Cc1nc(COc2ccc(C[N@@H+]3CC[C@H](Cc4ccc(F)cc4)C3)cc2)no1 ZINC000126960457 823990133 /nfs/dbraw/zinc/99/01/33/823990133.db2.gz XJCSVINLUVSHQN-LJQANCHMSA-N 1 0 381.451 4.161 20 0 GIADRO CCO[C@@H]1C[C@@H](N(C)Cc2nc3ccc(Cl)cc3c(=O)[nH]2)C12CCCC2 ZINC000575771031 823990378 /nfs/dbraw/zinc/99/03/78/823990378.db2.gz XECDKJDHEDTWAD-IAGOWNOFSA-N 1 0 375.900 4.158 20 0 GIADRO COCC[C@H](C)C[NH2+]Cc1cc(Br)ccc1OCc1ccccn1 ZINC000414480384 823992455 /nfs/dbraw/zinc/99/24/55/823992455.db2.gz JVOLBONRRYTKMS-HNNXBMFYSA-N 1 0 393.325 4.185 20 0 GIADRO CCCC[N@H+](C)C[C@H](C)NC(=O)Nc1cccc(OCC(F)(F)F)c1C ZINC000575781555 823993579 /nfs/dbraw/zinc/99/35/79/823993579.db2.gz HKMCSGOEXHPXSJ-ZDUSSCGKSA-N 1 0 375.435 4.178 20 0 GIADRO COc1cccc2c1CC[C@H]([NH2+][C@H](C)c1ccc(NC(=O)NC3CC3)cc1)C2 ZINC000192439396 823993550 /nfs/dbraw/zinc/99/35/50/823993550.db2.gz QBJNILYQAOEPSM-QRWLVFNGSA-N 1 0 379.504 4.187 20 0 GIADRO C[NH+](C)Cc1ccc(NCc2csc(-c3ccc4c(c3)OCO4)n2)c(F)c1 ZINC000414488107 823993719 /nfs/dbraw/zinc/99/37/19/823993719.db2.gz NXJNMOSKXIVABC-UHFFFAOYSA-N 1 0 385.464 4.352 20 0 GIADRO COc1ccccc1[C@@H](C)CC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000170868403 823994706 /nfs/dbraw/zinc/99/47/06/823994706.db2.gz LUDYGZPPJCEREX-IBGZPJMESA-N 1 0 380.532 4.012 20 0 GIADRO COc1cc(C[NH2+][C@@H]2Cc3ccccc3[C@@H]2OC)ccc1OCC(F)(F)F ZINC000414492848 823994831 /nfs/dbraw/zinc/99/48/31/823994831.db2.gz GIPHYMPYEYXRQA-APWZRJJASA-N 1 0 381.394 4.038 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)Nc1ccc(C[NH+](C)C)cc1F ZINC000414499250 823995753 /nfs/dbraw/zinc/99/57/53/823995753.db2.gz OGNWQXJUERISPP-CYBMUJFWSA-N 1 0 393.890 4.379 20 0 GIADRO CC(=O)c1ccc(Oc2ccc(C(=O)N[C@H]3CCC[C@@H]([NH+](C)C)C3)cc2)cc1 ZINC000126989454 823995838 /nfs/dbraw/zinc/99/58/38/823995838.db2.gz OMIYDYNEMLHUSU-VQTJNVASSA-N 1 0 380.488 4.284 20 0 GIADRO COc1ccc(OCc2ccccn2)c(C[NH2+]CCc2ccc(OC)c(F)c2)c1 ZINC000170874378 823996765 /nfs/dbraw/zinc/99/67/65/823996765.db2.gz WLSIWVORJWXANM-UHFFFAOYSA-N 1 0 396.462 4.149 20 0 GIADRO CN(C)C(=O)[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3Br)s2)C1 ZINC000414504558 823997001 /nfs/dbraw/zinc/99/70/01/823997001.db2.gz YIKSNZXKNIVNTI-ZDUSSCGKSA-N 1 0 393.350 4.088 20 0 GIADRO CC(C)(C)OC(=O)N1CCCc2cc(NC(=O)C3CC[NH+](C4CC4)CC3)ccc21 ZINC000192454225 823997384 /nfs/dbraw/zinc/99/73/84/823997384.db2.gz KNYMFBCKAALHAU-UHFFFAOYSA-N 1 0 399.535 4.187 20 0 GIADRO COc1cc(C[NH2+][C@H](C)[C@@](C)(OC)C2CC2)ccc1OCc1c(C)noc1C ZINC000414507025 823997522 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C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(Br)c(Br)c2)[C@@H](C)O1 ZINC000414510538 823998307 /nfs/dbraw/zinc/99/83/07/823998307.db2.gz FGECZNQKMNWLDC-FOGDFJRCSA-N 1 0 377.120 4.115 20 0 GIADRO CC(C)(CC[NH2+]C/C=C/c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O ZINC000414520610 824000310 /nfs/dbraw/zinc/00/03/10/824000310.db2.gz ZXGFBKLDCUFPDW-JXMROGBWSA-N 1 0 387.545 4.082 20 0 GIADRO COc1cc(C[NH2+][C@H](c2ccccc2)C2(CO)CCCCC2)cc(OC)c1OC ZINC000414525045 824001570 /nfs/dbraw/zinc/00/15/70/824001570.db2.gz IZAKABWORDKIFD-HSZRJFAPSA-N 1 0 399.531 4.486 20 0 GIADRO CC(C)(CC[NH2+]Cc1cccc(OCc2ccccc2Cl)c1)S(C)(=O)=O ZINC000414524053 824001695 /nfs/dbraw/zinc/00/16/95/824001695.db2.gz ZFHZZSDHIAKAIV-UHFFFAOYSA-N 1 0 395.952 4.222 20 0 GIADRO C[N@H+](CCCNC(=O)N[C@H](c1ccccc1)c1cccnc1)C1CCCCC1 ZINC000170892481 824001739 /nfs/dbraw/zinc/00/17/39/824001739.db2.gz NAHYJKOXUPJLMR-JOCHJYFZSA-N 1 0 380.536 4.125 20 0 GIADRO CC(C)[N@@H+]1CCCC[C@@H]1CN1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000575820124 824003102 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Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+]1CCc2c(C)cccc2C1 ZINC000170922081 824006063 /nfs/dbraw/zinc/00/60/63/824006063.db2.gz MQFBHODFDSGBMR-UHFFFAOYSA-N 1 0 388.515 4.184 20 0 GIADRO OC[C@@H]([NH2+]Cc1cccc(Oc2cccc(C(F)(F)F)c2)c1)[C@@H]1CCCOC1 ZINC000414544809 824007499 /nfs/dbraw/zinc/00/74/99/824007499.db2.gz FNOCPUYXGGZTII-OXQOHEQNSA-N 1 0 395.421 4.375 20 0 GIADRO CCCOc1ccc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCOCC2)cc1OC ZINC000414546917 824007854 /nfs/dbraw/zinc/00/78/54/824007854.db2.gz YSMBDRBGIXOOIN-QHCPKHFHSA-N 1 0 399.531 4.104 20 0 GIADRO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2ccccc2OCc2ccccc2)CC1 ZINC000414549587 824008663 /nfs/dbraw/zinc/00/86/63/824008663.db2.gz LRASOJFECLYEPT-JOCHJYFZSA-N 1 0 378.516 4.243 20 0 GIADRO O=C1CCCN1[C@H]1CCC[N@H+](Cc2ccccc2OCc2ccccc2)CC1 ZINC000414549589 824008913 /nfs/dbraw/zinc/00/89/13/824008913.db2.gz LRASOJFECLYEPT-QFIPXVFZSA-N 1 0 378.516 4.243 20 0 GIADRO COc1cc(C)ccc1OCC(=O)Nc1ccc(-c2ncc3n2CCCC3)cc1 ZINC000192491989 824009842 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GIADRO CC(C)(CNC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000575845986 824011291 /nfs/dbraw/zinc/01/12/91/824011291.db2.gz DWCFHXBVDLKCQV-QGZVFWFLSA-N 1 0 385.474 4.176 20 0 GIADRO OC[C@H]([NH2+]Cc1ccc(-c2cccc(Br)c2)s1)[C@H]1CCCOC1 ZINC000414558366 824011788 /nfs/dbraw/zinc/01/17/88/824011788.db2.gz OPQXEXGQNPDDMH-YOEHRIQHSA-N 1 0 396.350 4.055 20 0 GIADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]C[C@@H]1C[C@H]1c1cccc(OC)c1 ZINC000414558509 824012052 /nfs/dbraw/zinc/01/20/52/824012052.db2.gz RVQCZQXDVAAYTB-WMZOPIPTSA-N 1 0 393.936 4.036 20 0 GIADRO O=C(Nc1ccc(OC2CCCC2)c(F)c1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000575851006 824012227 /nfs/dbraw/zinc/01/22/27/824012227.db2.gz MSXYQOGNANCLPG-JKSUJKDBSA-N 1 0 375.488 4.001 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)Cc2cc(F)c(F)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000127079008 824013024 /nfs/dbraw/zinc/01/30/24/824013024.db2.gz XDPVDJKUEBSJLK-QAPCUYQASA-N 1 0 390.449 4.158 20 0 GIADRO Cc1nc(CCC(=O)N(CC[NH+](C)C)C2CCCCC2)oc1-c1ccccc1 ZINC000170947639 824013016 /nfs/dbraw/zinc/01/30/16/824013016.db2.gz HXAZWSDTJGORRE-UHFFFAOYSA-N 1 0 383.536 4.306 20 0 GIADRO Clc1cccc(C2(C[NH2+][C@H]3CCCc4c3cnn4-c3ncccn3)CC2)c1 ZINC000575855107 824013401 /nfs/dbraw/zinc/01/34/01/824013401.db2.gz RAWWBRGNPWXJJH-SFHVURJKSA-N 1 0 379.895 4.015 20 0 GIADRO O=C(C[C@@H]1CCCOC1)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000192506296 824014385 /nfs/dbraw/zinc/01/43/85/824014385.db2.gz YNZAEHHVUCVBGT-NRFANRHFSA-N 1 0 392.543 4.382 20 0 GIADRO Cc1ccc(NC(=O)CC[NH2+][C@H](C)CCc2ccc(Br)cc2)nc1 ZINC000575867019 824016010 /nfs/dbraw/zinc/01/60/10/824016010.db2.gz DHWPDGMMOQCRJK-OAHLLOKOSA-N 1 0 390.325 4.092 20 0 GIADRO Brc1cccc(CN2CCC([NH2+]C/C=C/c3ccncc3)CC2)c1 ZINC000414584612 824016276 /nfs/dbraw/zinc/01/62/76/824016276.db2.gz JEMIBEUJLZYPKH-DUXPYHPUSA-N 1 0 386.337 4.112 20 0 GIADRO O=C(C[NH2+][C@@H](c1ccccc1)C1CC1)Nc1c(F)cc(F)cc1Br ZINC000192512675 824016344 /nfs/dbraw/zinc/01/63/44/824016344.db2.gz LLNRYFQWWJUODH-KRWDZBQOSA-N 1 0 395.247 4.407 20 0 GIADRO CC(C)[N@@H+](Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C[C@@H]1CCC(=O)N1 ZINC000414585458 824016378 /nfs/dbraw/zinc/01/63/78/824016378.db2.gz UAQDDLPXEHYNCJ-AWEZNQCLSA-N 1 0 382.348 4.213 20 0 GIADRO OC[C@@H]1CCC[C@H]([NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccs2)C1 ZINC000414590189 824016623 /nfs/dbraw/zinc/01/66/23/824016623.db2.gz XJYNRWDNBKCDCL-QUCCMNQESA-N 1 0 381.545 4.301 20 0 GIADRO CC[C@H](NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1)c1cc(F)ccc1F ZINC000127099200 824017032 /nfs/dbraw/zinc/01/70/32/824017032.db2.gz DTIPPUYCFOYZDO-IBGZPJMESA-N 1 0 379.426 4.116 20 0 GIADRO CC(C)(c1nc(-c2ccc(N3CCCCC3)nc2)no1)[C@@H]([NH3+])c1ccccc1 ZINC000414618445 824018040 /nfs/dbraw/zinc/01/80/40/824018040.db2.gz JOCJWECFGIWXIT-IBGZPJMESA-N 1 0 377.492 4.100 20 0 GIADRO C[C@H]1CCCN(C(=O)C2CC[NH+](CCOc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000170958264 824018403 /nfs/dbraw/zinc/01/84/03/824018403.db2.gz CPMWUOQLAOEPDP-INIZCTEOSA-N 1 0 398.469 4.055 20 0 GIADRO CC1CC[NH+](C[C@H]2CCCN(C(=O)Nc3ccc4c(c3)CCCC4=O)C2)CC1 ZINC000575883129 824019349 /nfs/dbraw/zinc/01/93/49/824019349.db2.gz UEOABXFVHADUND-GOSISDBHSA-N 1 0 383.536 4.181 20 0 GIADRO [NH3+][C@@H]1CN(C(=O)Nc2cc(Cl)ccc2Cl)CC[C@H]1c1ccc(F)cc1 ZINC000414663358 824021765 /nfs/dbraw/zinc/02/17/65/824021765.db2.gz RJEKFYBYRPOLRK-GOEBONIOSA-N 1 0 382.266 4.481 20 0 GIADRO C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](CCC(=O)[O-])Cc2ccccc2)CC1 ZINC000414665222 824021832 /nfs/dbraw/zinc/02/18/32/824021832.db2.gz UHWLQTVOJKEPIC-YKSBVNFPSA-N 1 0 394.559 4.148 20 0 GIADRO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000414687935 824023529 /nfs/dbraw/zinc/02/35/29/824023529.db2.gz CUKBIFRJTHLSQY-UHFFFAOYSA-N 1 0 375.822 4.356 20 0 GIADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3s2)C1 ZINC000575900407 824023827 /nfs/dbraw/zinc/02/38/27/824023827.db2.gz GZXUGKCOSWEMPA-AOIWGVFYSA-N 1 0 394.544 4.007 20 0 GIADRO CCCOc1ccc(NC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1OCCC ZINC000414715744 824025980 /nfs/dbraw/zinc/02/59/80/824025980.db2.gz NJHURTABKSZPRD-VQTJNVASSA-N 1 0 397.519 4.223 20 0 GIADRO Cc1nc2ccc(NC(=O)N3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@H]4C3)cc2o1 ZINC000575910058 824027150 /nfs/dbraw/zinc/02/71/50/824027150.db2.gz DWRZRKANIDKNCT-OALUTQOASA-N 1 0 390.487 4.122 20 0 GIADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000414723939 824027527 /nfs/dbraw/zinc/02/75/27/824027527.db2.gz DGIMXLIBFYIGSC-BBRMVZONSA-N 1 0 384.446 4.039 20 0 GIADRO O=C(C[NH2+]C1(c2ccccc2)CCC1)N[C@H](c1nccs1)c1ccccc1 ZINC000170983755 824027791 /nfs/dbraw/zinc/02/77/91/824027791.db2.gz CNISYYTUFSBMMN-FQEVSTJZSA-N 1 0 377.513 4.018 20 0 GIADRO C[C@]1(C[NH3+])CCN(C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)C1 ZINC000414724656 824027777 /nfs/dbraw/zinc/02/77/77/824027777.db2.gz FWTCEFMJWKOOPL-OAQYLSRUSA-N 1 0 380.517 4.090 20 0 GIADRO COc1ccc(Oc2ccc(Cl)cc2NC(=O)NC2CC[NH2+]CC2)cc1 ZINC000414725842 824028434 /nfs/dbraw/zinc/02/84/34/824028434.db2.gz MVRLXIGCRSLODY-UHFFFAOYSA-N 1 0 375.856 4.014 20 0 GIADRO CN(C)c1ccc(C(F)(F)F)cc1NC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000414733487 824030003 /nfs/dbraw/zinc/03/00/03/824030003.db2.gz JJMNYZNYPIXYDW-QGZVFWFLSA-N 1 0 398.473 4.013 20 0 GIADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 ZINC000414733895 824030093 /nfs/dbraw/zinc/03/00/93/824030093.db2.gz KKVFYFOVMXHVMP-LRDDRELGSA-N 1 0 378.929 4.121 20 0 GIADRO CO[C@@H](C[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1)c1ccccc1 ZINC000575931683 824031617 /nfs/dbraw/zinc/03/16/17/824031617.db2.gz VSTARVXWYJGFDI-UWJYYQICSA-N 1 0 385.483 4.047 20 0 GIADRO CN(C(=O)c1ccccc1CSc1nc2ccccc2o1)C1CC[NH+](C)CC1 ZINC000192560911 824031883 /nfs/dbraw/zinc/03/18/83/824031883.db2.gz LGQRNKUMNAQYAF-UHFFFAOYSA-N 1 0 395.528 4.286 20 0 GIADRO CCCN(C(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1)[C@H](C)c1cc2ccccc2o1 ZINC000414745092 824032365 /nfs/dbraw/zinc/03/23/65/824032365.db2.gz OYGBVTKDAWHQFS-JKSUJKDBSA-N 1 0 393.487 4.391 20 0 GIADRO CCCN(C(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1)[C@H](C)c1cc2ccccc2o1 ZINC000414745091 824032440 /nfs/dbraw/zinc/03/24/40/824032440.db2.gz OYGBVTKDAWHQFS-HZPDHXFCSA-N 1 0 393.487 4.391 20 0 GIADRO O=C(NCCC[NH+]1CCCC1)c1ccccc1-c1ncc(-c2ccccc2F)o1 ZINC000192565678 824033599 /nfs/dbraw/zinc/03/35/99/824033599.db2.gz FJIXDPWZJHDPGQ-UHFFFAOYSA-N 1 0 393.462 4.363 20 0 GIADRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000414758896 824033623 /nfs/dbraw/zinc/03/36/23/824033623.db2.gz ZADMDGXIJSHJIO-SFHVURJKSA-N 1 0 380.517 4.473 20 0 GIADRO CC(C)Oc1ccc([C@H](C)[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)cc1Cl ZINC000575943338 824033851 /nfs/dbraw/zinc/03/38/51/824033851.db2.gz SLMVDBORHSMSTI-GUYCJALGSA-N 1 0 394.865 4.041 20 0 GIADRO [NH3+]CCC[C@H](NC(=O)Nc1ccccc1OCC(F)(F)F)c1ccccc1 ZINC000414765454 824034176 /nfs/dbraw/zinc/03/41/76/824034176.db2.gz GBJGBJYUJHGFGN-HNNXBMFYSA-N 1 0 381.398 4.229 20 0 GIADRO C[C@]1(C[NH3+])CCN(C(=O)Nc2ccc(OC(F)F)c(Cc3ccccc3)c2)C1 ZINC000414785763 824036072 /nfs/dbraw/zinc/03/60/72/824036072.db2.gz LTLJASYLEYMDOJ-OAQYLSRUSA-N 1 0 389.446 4.081 20 0 GIADRO CC(C)Sc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000414810489 824038302 /nfs/dbraw/zinc/03/83/02/824038302.db2.gz XBVGYFMXIFQLHJ-HUUCEWRRSA-N 1 0 385.533 4.023 20 0 GIADRO CCCCOc1ccc(OC)cc1NC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000414814706 824038624 /nfs/dbraw/zinc/03/86/24/824038624.db2.gz WBAUSHHCLYHUIU-FXAWDEMLSA-N 1 0 389.540 4.260 20 0 GIADRO Cc1ccccc1[C@H](NC(=O)C(=O)Nc1ccc(C[NH3+])cc1)[C@@H]1CCC[C@H](C)C1 ZINC000414825230 824039984 /nfs/dbraw/zinc/03/99/84/824039984.db2.gz CAZVATNGYFROCY-DKZVUGQWSA-N 1 0 393.531 4.076 20 0 GIADRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)cc1 ZINC000414829808 824040478 /nfs/dbraw/zinc/04/04/78/824040478.db2.gz NFWPALYWMUBYFI-VXKWHMMOSA-N 1 0 397.519 4.189 20 0 GIADRO Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000414837398 824040779 /nfs/dbraw/zinc/04/07/79/824040779.db2.gz HETJFAKJVAQEIA-QFIPXVFZSA-N 1 0 382.508 4.132 20 0 GIADRO [NH3+][C@H]1CCc2ncc(NC(=O)N3CCCC[C@H]3c3cccc(Cl)c3)cc2C1 ZINC000575971312 824041939 /nfs/dbraw/zinc/04/19/39/824041939.db2.gz SJGACNNETQOGIY-PXNSSMCTSA-N 1 0 384.911 4.310 20 0 GIADRO Cc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000414852448 824042131 /nfs/dbraw/zinc/04/21/31/824042131.db2.gz QACSEOLIZALWNI-INIZCTEOSA-N 1 0 383.540 4.069 20 0 GIADRO Cn1c(=O)sc2cc(C[NH2+]Cc3cc(Cl)ccc3OC(F)F)ccc21 ZINC000192599897 824042673 /nfs/dbraw/zinc/04/26/73/824042673.db2.gz ISOXWQFHNAGQPW-UHFFFAOYSA-N 1 0 384.835 4.145 20 0 GIADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1cc(C(C)(C)C)nn1-c1cccc(Cl)c1 ZINC000414854155 824042710 /nfs/dbraw/zinc/04/27/10/824042710.db2.gz UALVOKWGEORICJ-KBPBESRZSA-N 1 0 389.931 4.024 20 0 GIADRO O=C(Nc1ccccc1OC(F)F)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000192600325 824042779 /nfs/dbraw/zinc/04/27/79/824042779.db2.gz FPBJMUMERCZADY-UHFFFAOYSA-N 1 0 389.446 4.117 20 0 GIADRO Cc1oc(-c2ccsc2)nc1CC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000171029745 824042844 /nfs/dbraw/zinc/04/28/44/824042844.db2.gz BSDOZHULDRJVOX-UHFFFAOYSA-N 1 0 387.549 4.025 20 0 GIADRO Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000414867662 824043481 /nfs/dbraw/zinc/04/34/81/824043481.db2.gz CPSNRVXAKSYGMC-LJQANCHMSA-N 1 0 382.508 4.084 20 0 GIADRO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NCc2cnc(-c3ccsc3)s2)cc1 ZINC000414877988 824044222 /nfs/dbraw/zinc/04/42/22/824044222.db2.gz GRMGNJBQJIJRBE-RBUKOAKNSA-N 1 0 385.558 4.116 20 0 GIADRO COc1ccc(C(=O)CCCCCc2nc(-c3ccc(C[NH3+])cc3)no2)cc1 ZINC000575987685 824044642 /nfs/dbraw/zinc/04/46/42/824044642.db2.gz BKGDHZBHJKPYDS-UHFFFAOYSA-N 1 0 379.460 4.190 20 0 GIADRO [NH3+]C1(CNC(=O)c2ccccc2CCC(F)(F)F)C2CC3CC(C2)CC1C3 ZINC000575987372 824044780 /nfs/dbraw/zinc/04/47/80/824044780.db2.gz RNZARTWUDFMOQM-UHFFFAOYSA-N 1 0 380.454 4.065 20 0 GIADRO C[N@@H+](Cc1ccccc1)CC1CCN(Cn2nc(C(C)(C)C)[nH]c2=S)CC1 ZINC000171041613 824044850 /nfs/dbraw/zinc/04/48/50/824044850.db2.gz SRRBRVMPOXTZPJ-UHFFFAOYSA-N 1 0 387.597 4.040 20 0 GIADRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000414883091 824045038 /nfs/dbraw/zinc/04/50/38/824045038.db2.gz CLAOMFHHYABNBN-GOSISDBHSA-N 1 0 383.496 4.134 20 0 GIADRO [NH3+]C1(CNCc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)CCC1 ZINC000414886396 824045404 /nfs/dbraw/zinc/04/54/04/824045404.db2.gz XZQAMPGFMDAKMD-UHFFFAOYSA-N 1 0 378.303 4.217 20 0 GIADRO CCCCN(C(=O)C(=O)Nc1ccccc1C[NH2+]CC)[C@H](C)c1ccccc1 ZINC000414886697 824045581 /nfs/dbraw/zinc/04/55/81/824045581.db2.gz QJHKCBRZRLTGRL-GOSISDBHSA-N 1 0 381.520 4.125 20 0 GIADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(CCCc2c(Cl)cccc2Cl)CC1 ZINC000192623459 824048332 /nfs/dbraw/zinc/04/83/32/824048332.db2.gz SOVNTFRXXHFMOC-QGZVFWFLSA-N 1 0 384.395 4.028 20 0 GIADRO Cn1ccnc1[C@@H](O)[C@@H]1CCC[N@H+](CCCc2c(Cl)cccc2Cl)C1 ZINC000192627043 824049336 /nfs/dbraw/zinc/04/93/36/824049336.db2.gz DZPIYNAFRLMCJR-KDOFPFPSSA-N 1 0 382.335 4.105 20 0 GIADRO C[NH+](C)C[C@H](NC(=O)c1cccc([C@H]2CCCOC2)c1)c1ccc(Cl)cc1 ZINC000576010389 824049390 /nfs/dbraw/zinc/04/93/90/824049390.db2.gz LCCCMVHBQJUZGL-FPOVZHCZSA-N 1 0 386.923 4.267 20 0 GIADRO COc1cc(CNc2ccc(C[NH3+])cc2)cc(Br)c1OC(F)F ZINC000414916310 824049574 /nfs/dbraw/zinc/04/95/74/824049574.db2.gz SDOFHSIZAWOKCZ-UHFFFAOYSA-N 1 0 387.224 4.130 20 0 GIADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cc1ncc(-c2cccc(Br)c2)o1 ZINC000576013894 824049913 /nfs/dbraw/zinc/04/99/13/824049913.db2.gz HXOXFGMLKINNFR-RHSMWYFYSA-N 1 0 390.325 4.163 20 0 GIADRO C[C@@H](NC1(C[NH2+]CCCc2ccc3c(c2)CCO3)CCOCC1)c1ccccc1 ZINC000192629790 824050309 /nfs/dbraw/zinc/05/03/09/824050309.db2.gz XCZFKTDBNGFOJP-HXUWFJFHSA-N 1 0 394.559 4.044 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H]1CCCc2cc(N)ccc21 ZINC000414921843 824050664 /nfs/dbraw/zinc/05/06/64/824050664.db2.gz DZVCJNKODRFYPF-UGSOOPFHSA-N 1 0 387.911 4.315 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)C[N@@H+](C)[C@H]2CCCC[C@H]2C)c(C(F)(F)F)c1 ZINC000192631459 824050793 /nfs/dbraw/zinc/05/07/93/824050793.db2.gz DRSXXFMKIXUTQZ-PXAZEXFGSA-N 1 0 385.430 4.113 20 0 GIADRO Nc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000414927631 824050950 /nfs/dbraw/zinc/05/09/50/824050950.db2.gz MGASNUMMMGSZFO-GOSISDBHSA-N 1 0 379.485 4.288 20 0 GIADRO Cc1ccc(NC(=O)C[C@@H](C)N[C@H](C[NH3+])c2ccc3ccccc3c2)c(C)c1 ZINC000414941217 824052814 /nfs/dbraw/zinc/05/28/14/824052814.db2.gz LBSWTKZCOSSBOC-WZONZLPQSA-N 1 0 375.516 4.463 20 0 GIADRO C[C@@H]1C[NH2+]CC[C@H]1NCc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000414948757 824053307 /nfs/dbraw/zinc/05/33/07/824053307.db2.gz YZVVHVRHFBKNDG-BFUOFWGJSA-N 1 0 392.330 4.333 20 0 GIADRO CC(C)(CCC[NH3+])NC(=O)Nc1ccc(Br)cc1C(F)(F)F ZINC000414953078 824053903 /nfs/dbraw/zinc/05/39/03/824053903.db2.gz ABWWXYAPDQQLOD-UHFFFAOYSA-N 1 0 382.224 4.107 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1 ZINC000171066397 824054257 /nfs/dbraw/zinc/05/42/57/824054257.db2.gz YLXDQKRJPNCYLN-HZPDHXFCSA-N 1 0 378.472 4.062 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1 ZINC000171066382 824054273 /nfs/dbraw/zinc/05/42/73/824054273.db2.gz YLXDQKRJPNCYLN-JKSUJKDBSA-N 1 0 378.472 4.062 20 0 GIADRO CCCC[C@H](C[NH3+])NC(=O)Nc1ccc(Br)cc1C(F)(F)F ZINC000414971228 824055852 /nfs/dbraw/zinc/05/58/52/824055852.db2.gz IIXMDOCKMWETLY-SNVBAGLBSA-N 1 0 382.224 4.107 20 0 GIADRO COc1ccc([C@@H](O)[C@@H]2CCC[N@@H+]2Cc2nnc(-c3ccc(Cl)cc3)o2)cc1 ZINC000359979794 212128777 /nfs/dbraw/zinc/12/87/77/212128777.db2.gz VGMFHWXZIVCCLR-AZUAARDMSA-N 1 0 399.878 4.097 20 0 GIADRO CCN1CCC[C@@H](C[N@H+](C)[C@@H](C)c2nc3ccccc3o2)[C@@H]1c1cnn(C)c1 ZINC000328628428 212087933 /nfs/dbraw/zinc/08/79/33/212087933.db2.gz HFTGTBWYYQMLRB-XGHQBKJUSA-N 1 0 381.524 4.027 20 0 GIADRO NC(=O)[C@H]([NH2+]C[C@H]1CCO[C@@H]1c1ccccc1)c1cccc(Br)c1 ZINC000328614274 212086274 /nfs/dbraw/zinc/08/62/74/212086274.db2.gz AEUIDTZQVQZZOP-KBAYOESNSA-N 1 0 389.293 4.393 20 0 GIADRO FC1CC2(C1)CCN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)CC2 ZINC001164415580 718884516 /nfs/dbraw/zinc/88/45/16/718884516.db2.gz LRHCWTUVFJFIPH-UHFFFAOYSA-N 1 0 385.861 4.375 20 0 GIADRO [NH3+][C@]12C[C@H]1CN(C(F)(F)c1ccccc1-c1nc(Cl)c3ccccc3n1)C2 ZINC001164420386 718888976 /nfs/dbraw/zinc/88/89/76/718888976.db2.gz UTUMRGZLUHSMTA-BUXKBTBVSA-N 1 0 386.833 4.033 20 0 GIADRO FC(F)(c1ccc2c(Cl)ncnc2c1)N1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001164419689 718891493 /nfs/dbraw/zinc/89/14/93/718891493.db2.gz QUTJYFVNDZTIKS-KRWDZBQOSA-N 1 0 380.870 4.187 20 0 GIADRO FC(F)(c1ccc2ncnc(Cl)c2c1)N1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001164416720 718891771 /nfs/dbraw/zinc/89/17/71/718891771.db2.gz FZLNRYHPZZZBCB-KRWDZBQOSA-N 1 0 380.870 4.187 20 0 GIADRO Fc1cnc(Cl)cc1C(F)(F)N1CC[C@@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164627769 719045498 /nfs/dbraw/zinc/04/54/98/719045498.db2.gz WEGUXVAXADNWRD-MAUKXSAKSA-N 1 0 381.829 4.003 20 0 GIADRO Cc1ccc(C(F)(F)N2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)nc1Cl ZINC001164618316 719046197 /nfs/dbraw/zinc/04/61/97/719046197.db2.gz AMGKIRHGQFUZMQ-VQIMIIECSA-N 1 0 377.866 4.172 20 0 GIADRO CCOC(=O)c1cc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)ncc1Cl ZINC001164623666 719058257 /nfs/dbraw/zinc/05/82/57/719058257.db2.gz KHVTTWPASBTWGU-PXNSSMCTSA-N 1 0 399.922 4.013 20 0 GIADRO c1ccc(C[N@@H+]2C[C@H]3CCCN(c4cc(Oc5ccccc5)ncn4)[C@@H]3C2)cc1 ZINC001164621859 719064116 /nfs/dbraw/zinc/06/41/16/719064116.db2.gz IAFZSVQYXOUZQC-IFMALSPDSA-N 1 0 386.499 4.370 20 0 GIADRO Clc1cccc2c1ncnc2N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164629776 719065068 /nfs/dbraw/zinc/06/50/68/719065068.db2.gz YYYQOWDOQMXAGO-YLJYHZDGSA-N 1 0 378.907 4.384 20 0 GIADRO Clc1cc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c2cccnc2n1 ZINC001164628883 719074553 /nfs/dbraw/zinc/07/45/53/719074553.db2.gz UGOFDUKBSKIWFC-XLIONFOSSA-N 1 0 378.907 4.384 20 0 GIADRO Clc1ccc2c(cnnc2N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001164626599 719080741 /nfs/dbraw/zinc/08/07/41/719080741.db2.gz OSKQEFBNGAXNQW-DYESRHJHSA-N 1 0 378.907 4.384 20 0 GIADRO Cc1nc2c(nc(Cl)nc2N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC001164622799 719081684 /nfs/dbraw/zinc/08/16/84/719081684.db2.gz IUWJXSDGZHTWMW-CVEARBPZSA-N 1 0 399.951 4.149 20 0 GIADRO Clc1ccnc2cnc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)cc12 ZINC001164628924 719085339 /nfs/dbraw/zinc/08/53/39/719085339.db2.gz UWSLYDRGTIEAQF-UWJYYQICSA-N 1 0 378.907 4.384 20 0 GIADRO Cc1cc(C(F)(F)N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c(Cl)nn1 ZINC001164622658 719099326 /nfs/dbraw/zinc/09/93/26/719099326.db2.gz CFKCLHCEYQNIMU-AEFFLSMTSA-N 1 0 392.881 4.084 20 0 GIADRO [NH3+]C1([C@@H]2CN(C(F)(F)c3ccc(-c4ccnc(Cl)c4)cc3)C[C@@H]2CF)CC1 ZINC001164624277 719117436 /nfs/dbraw/zinc/11/74/36/719117436.db2.gz FCRFFUJRWGUIEI-DOTOQJQBSA-N 1 0 395.856 4.460 20 0 GIADRO [NH3+]C1([C@H]2CN(C(F)(F)c3cc(Cl)nc4c3CCCCC4)C[C@@H]2CF)CC1 ZINC001164619158 719126936 /nfs/dbraw/zinc/12/69/36/719126936.db2.gz CMQNPRIOZHWDOJ-WFASDCNBSA-N 1 0 387.877 4.062 20 0 GIADRO Cc1cc2c(ncnc2N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)s1 ZINC001164691484 719803342 /nfs/dbraw/zinc/80/33/42/719803342.db2.gz IDMJVCHSAYOYDC-UHFFFAOYSA-N 1 0 399.589 4.400 20 0 GIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ncnc4ccc(C)cc42)CC3)cs1 ZINC001164692227 719805832 /nfs/dbraw/zinc/80/58/32/719805832.db2.gz LTSWQEPHAXWDGS-UHFFFAOYSA-N 1 0 393.560 4.338 20 0 GIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2cc4ccccc4nn2)CC3)cs1 ZINC001164693965 719808854 /nfs/dbraw/zinc/80/88/54/719808854.db2.gz STAVGDGPJPKMHC-UHFFFAOYSA-N 1 0 379.533 4.030 20 0 GIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(C(C)(C)C)ncn2)CC3)cs1 ZINC001164693435 719813116 /nfs/dbraw/zinc/81/31/16/719813116.db2.gz VALRARDJFITXAH-UHFFFAOYSA-N 1 0 385.581 4.174 20 0 GIADRO Cc1cc(Cl)c(C)c(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164696161 719893703 /nfs/dbraw/zinc/89/37/03/719893703.db2.gz AAJMJLIXSNTEFR-UHFFFAOYSA-N 1 0 391.968 4.285 20 0 GIADRO CCc1cc2c(ccnc2N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)o1 ZINC001164705921 719907274 /nfs/dbraw/zinc/90/72/74/719907274.db2.gz FVCSPIFTASNOOX-UHFFFAOYSA-N 1 0 397.544 4.323 20 0 GIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(Cl)nc3ccccc31)C2 ZINC001164809342 720065798 /nfs/dbraw/zinc/06/57/98/720065798.db2.gz JPHVMXLQUAAGPF-HTAPYJJXSA-N 1 0 385.939 4.073 20 0 GIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nccc3ccc(Cl)cc31)C2 ZINC001164806437 720099778 /nfs/dbraw/zinc/09/97/78/720099778.db2.gz CTUCJTWVFGELMA-AVRDEDQJSA-N 1 0 385.939 4.073 20 0 GIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc3cccc(Cl)c3n1)C2 ZINC001164806959 720100885 /nfs/dbraw/zinc/10/08/85/720100885.db2.gz ABYSBUIPWDOCBN-XMSQKQJNSA-N 1 0 385.939 4.073 20 0 GIADRO COc1cccc2c(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)cc(Cl)nc12 ZINC001164721185 720330641 /nfs/dbraw/zinc/33/06/41/720330641.db2.gz BAFWXKCRFKXMLO-QZTJIDSGSA-N 1 0 394.906 4.145 20 0 GIADRO COc1ccc2c(cc(Cl)nc2N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c1 ZINC001164726331 720411818 /nfs/dbraw/zinc/41/18/18/720411818.db2.gz BMNILVUSROPDFJ-PMACEKPBSA-N 1 0 394.906 4.145 20 0 GIADRO CC(C)c1nc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)cc(C(C)(C)C)n1 ZINC001164729321 720456720 /nfs/dbraw/zinc/45/67/20/720456720.db2.gz GYOCSDGEVYTWOO-MOPGFXCFSA-N 1 0 379.552 4.146 20 0 GIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H](O)[C@H]2Cc2ccccc2)nc1 ZINC001164832569 720494106 /nfs/dbraw/zinc/49/41/06/720494106.db2.gz JRUQWUXLEJBVLV-ZLNRFVROSA-N 1 0 379.548 4.201 20 0 GIADRO Cc1ccc2cc(Cl)nc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)c2c1 ZINC001164727993 720574705 /nfs/dbraw/zinc/57/47/05/720574705.db2.gz GYXLHNOMGLMGFH-UHFFFAOYSA-N 1 0 395.938 4.052 20 0 GIADRO Cc1cccc2ccnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)c12 ZINC001164843159 720627125 /nfs/dbraw/zinc/62/71/25/720627125.db2.gz WZTABGTZKNPRJZ-YPAWHYETSA-N 1 0 389.547 4.118 20 0 GIADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(Cl)ncc1F)CC2 ZINC001164841863 720687804 /nfs/dbraw/zinc/68/78/04/720687804.db2.gz JPWNNJFMHURIFG-KRWDZBQOSA-N 1 0 389.902 4.134 20 0 GIADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc3occc3n1)CC2 ZINC001164841275 720695968 /nfs/dbraw/zinc/69/59/68/720695968.db2.gz IRJUCPWKGQWINP-LJQANCHMSA-N 1 0 377.488 4.088 20 0 GIADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(C(C)(C)C)nn1)CC2 ZINC001164837608 720712816 /nfs/dbraw/zinc/71/28/16/720712816.db2.gz FCUPORIWNHERPA-FQEVSTJZSA-N 1 0 394.563 4.034 20 0 GIADRO CCSc1ccnc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164842314 720724514 /nfs/dbraw/zinc/72/45/14/720724514.db2.gz YDYAZSFLVGYTMC-FQEVSTJZSA-N 1 0 397.588 4.454 20 0 GIADRO Cc1cccc(CN2CC[C@]3(CC[N@@H+](C(C)(C)c4ccnc(Cl)c4)C3)C2=O)c1 ZINC001164851180 720809052 /nfs/dbraw/zinc/80/90/52/720809052.db2.gz KEVSFIKHASEDCJ-HSZRJFAPSA-N 1 0 397.950 4.403 20 0 GIADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCOC[C@H]2c2csc(C)n2)nc1 ZINC001164745454 720865000 /nfs/dbraw/zinc/86/50/00/720865000.db2.gz DPLJJIRKYDWTLP-PMACEKPBSA-N 1 0 386.565 4.361 20 0 GIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCOC[C@@H]2c2csc(C)n2)nc1 ZINC001164745462 720865159 /nfs/dbraw/zinc/86/51/59/720865159.db2.gz DPLJJIRKYDWTLP-WOJBJXKFSA-N 1 0 386.565 4.361 20 0 GIADRO Cc1cc(C(F)(F)N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)cc(Cl)n1 ZINC001164859934 720924091 /nfs/dbraw/zinc/92/40/91/720924091.db2.gz QOFCHVSJSYBKDJ-AWEZNQCLSA-N 1 0 397.901 4.206 20 0 GIADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(Cl)cc(C(C)(C)C)n1)[C@H]2C ZINC001164863423 720994005 /nfs/dbraw/zinc/99/40/05/720994005.db2.gz VIHHSBCXDFKINE-AWEZNQCLSA-N 1 0 390.963 4.045 20 0 GIADRO Cc1ccc(-c2ccc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@@H]3C)nn2)cc1 ZINC001164861605 720998818 /nfs/dbraw/zinc/99/88/18/720998818.db2.gz QAIFVCALDDFUAA-SFHVURJKSA-N 1 0 390.535 4.070 20 0 GIADRO Cc1c(Cl)nc(C(C)C)nc1N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164858806 721017658 /nfs/dbraw/zinc/01/76/58/721017658.db2.gz HEQYWTINHZEJRM-HNNXBMFYSA-N 1 0 390.963 4.180 20 0 GIADRO COc1cc2ccnc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@@H]3C)c2cc1F ZINC001164861041 721018178 /nfs/dbraw/zinc/01/81/78/721018178.db2.gz NDBZEJWURPSLKQ-HNNXBMFYSA-N 1 0 397.498 4.000 20 0 GIADRO FC(F)(c1ccc2ccc(Cl)nc2c1)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001164773425 721286074 /nfs/dbraw/zinc/28/60/74/721286074.db2.gz ONWGWRKALAIIQH-UHFFFAOYSA-N 1 0 377.866 4.355 20 0 GIADRO FC(F)(c1cccc2c(Cl)nccc21)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001164770193 721294149 /nfs/dbraw/zinc/29/41/49/721294149.db2.gz PYYQUGVUASWYLN-UHFFFAOYSA-N 1 0 377.866 4.355 20 0 GIADRO Clc1cc(OCc2ccccc2)cnc1N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001164767992 721295377 /nfs/dbraw/zinc/29/53/77/721295377.db2.gz CRKUXNMPVLJBJG-UHFFFAOYSA-N 1 0 383.923 4.236 20 0 GIADRO FC(F)c1nc2ccc(Cl)cc2c(N2CC3(C2)CC[N@H+](CC2CC2)C3)n1 ZINC001164774691 721301732 /nfs/dbraw/zinc/30/17/32/721301732.db2.gz HSCCSAFKTKTYRQ-UHFFFAOYSA-N 1 0 378.854 4.143 20 0 GIADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@@H]2CC(=O)N3c2ccsc2)nc1 ZINC001164881279 721359118 /nfs/dbraw/zinc/35/91/18/721359118.db2.gz AVORWHIEXZIKPP-AQNXPRMDSA-N 1 0 396.560 4.074 20 0 GIADRO FC1(F)CCN(c2cc3ccccc3cn2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164908247 721691927 /nfs/dbraw/zinc/69/19/27/721691927.db2.gz YEJLXXNXARRYLP-QFIPXVFZSA-N 1 0 394.469 4.368 20 0 GIADRO Fc1cnc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c(Cl)c1 ZINC001164904860 721698145 /nfs/dbraw/zinc/69/81/45/721698145.db2.gz GZMAGHLGCBGVKZ-SFHVURJKSA-N 1 0 396.844 4.007 20 0 GIADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CC[C@@]3(CCCN3C(=O)C(C)C)C2)nc1 ZINC001165007399 721727304 /nfs/dbraw/zinc/72/73/04/721727304.db2.gz CKGUMWJLOZOVFC-URXFXBBRSA-N 1 0 398.595 4.246 20 0 GIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(-c4ccccc4)nn3)C[C@H]21 ZINC001165026143 721804425 /nfs/dbraw/zinc/80/44/25/721804425.db2.gz QAIIJDAXDSVWMB-BGWNEDDSSA-N 1 0 399.542 4.276 20 0 GIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)cc4[nH]ccc43)C[C@H]21 ZINC001165027577 721805479 /nfs/dbraw/zinc/80/54/79/721805479.db2.gz WKQGCOUFWGWRKW-QKYXUNIQSA-N 1 0 395.938 4.348 20 0 GIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN([C@@H](F)c3ccnc(Cl)c3)C[C@@H]21 ZINC001165021665 721811434 /nfs/dbraw/zinc/81/14/34/721811434.db2.gz FVIYRXCKYYCAPT-WQZMEWCLSA-N 1 0 388.918 4.331 20 0 GIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN([C@H](F)c3ccnc(Cl)c3)C[C@@H]21 ZINC001165021663 721811598 /nfs/dbraw/zinc/81/15/98/721811598.db2.gz FVIYRXCKYYCAPT-LYSIVYOWSA-N 1 0 388.918 4.331 20 0 GIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc4ccsc4cn3)C[C@H]21 ZINC001165026010 721816739 /nfs/dbraw/zinc/81/67/39/721816739.db2.gz OTUIZRXQRSOQDM-DFQSSKMNSA-N 1 0 378.545 4.428 20 0 GIADRO Cc1cc(Cl)c(C)nc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165024896 721817590 /nfs/dbraw/zinc/81/75/90/721817590.db2.gz KZRCTXBZRQBICM-FBBABVLZSA-N 1 0 384.955 4.484 20 0 GIADRO CSCc1ccnc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165027007 721828758 /nfs/dbraw/zinc/82/87/58/721828758.db2.gz QSTZRGFWYFCULN-CEWLAPEOSA-N 1 0 382.577 4.077 20 0 GIADRO CC(C)c1c(Cl)ncnc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165020642 721829544 /nfs/dbraw/zinc/82/95/44/721829544.db2.gz DAPVTNAJZUSJJT-QXAKKESOSA-N 1 0 399.970 4.385 20 0 GIADRO Cc1cc(C(C)C)nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165024489 721830576 /nfs/dbraw/zinc/83/05/76/721830576.db2.gz KHIBFWXPXRGTOZ-CZTZKLFOSA-N 1 0 379.552 4.040 20 0 GIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc(Cl)c(C)n2)CC1 ZINC001165021502 721840153 /nfs/dbraw/zinc/84/01/53/721840153.db2.gz NGYLGENHTRCVNF-UHFFFAOYSA-N 1 0 389.927 4.161 20 0 GIADRO COc1cccc(-c2cc(C(F)(F)N3CCC[C@@H]([NH+](C)C)C3)cnc2Cl)c1 ZINC001165039743 721899588 /nfs/dbraw/zinc/89/95/88/721899588.db2.gz ZWWAJDOBLZHTPZ-MRXNPFEDSA-N 1 0 395.881 4.486 20 0 GIADRO Cc1sc2nc(-c3cccnc3)nc(N(C)CC3CC[NH+](C)CC3)c2c1C ZINC001165043500 721936950 /nfs/dbraw/zinc/93/69/50/721936950.db2.gz ZKXIXBIFUIKBIN-UHFFFAOYSA-N 1 0 381.549 4.148 20 0 GIADRO CN(CC1CC[NH+](C)CC1)C(F)(F)c1cccc(-c2ccc(Cl)nn2)c1 ZINC001165042707 721938095 /nfs/dbraw/zinc/93/80/95/721938095.db2.gz KMZBOFJHVHKVDE-UHFFFAOYSA-N 1 0 380.870 4.120 20 0 GIADRO Fc1cnc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c2ccccc12 ZINC001164952149 722018434 /nfs/dbraw/zinc/01/84/34/722018434.db2.gz HZSJTCFEOVAFBU-UHFFFAOYSA-N 1 0 376.479 4.261 20 0 GIADRO Clc1ccnc2nc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)ccc12 ZINC001164955431 722018853 /nfs/dbraw/zinc/01/88/53/722018853.db2.gz GMMJLQXKXGBVRL-UHFFFAOYSA-N 1 0 393.922 4.171 20 0 GIADRO Cc1ccc(-c2ccc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)nn2)cc1 ZINC001164955281 722021428 /nfs/dbraw/zinc/02/14/28/722021428.db2.gz DCIFTAFGPPKGMU-UHFFFAOYSA-N 1 0 399.542 4.340 20 0 GIADRO CSc1nc(Cl)ncc1N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164995400 722199676 /nfs/dbraw/zinc/19/96/76/722199676.db2.gz NPIHSEJIQNBMQN-LJQANCHMSA-N 1 0 392.931 4.236 20 0 GIADRO Cc1ccc2nc(N3CCC[C@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)ncc2c1 ZINC001164994489 722201214 /nfs/dbraw/zinc/20/12/14/722201214.db2.gz ICVMTJDZCWJNHI-QHCPKHFHSA-N 1 0 376.479 4.322 20 0 GIADRO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2nncc4ccc(F)cc42)C3)c1 ZINC001164994459 722201659 /nfs/dbraw/zinc/20/16/59/722201659.db2.gz HHTNGABELHGKKW-JOCHJYFZSA-N 1 0 380.442 4.153 20 0 GIADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2nnc(Cl)c4ccoc42)C3)c1 ZINC001164993741 722203926 /nfs/dbraw/zinc/20/39/26/722203926.db2.gz AJWGJUDUHUHALJ-FQEVSTJZSA-N 1 0 386.858 4.260 20 0 GIADRO Cc1csc2cnc(N3CCC[C@@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)nc12 ZINC001164993811 722206598 /nfs/dbraw/zinc/20/65/98/722206598.db2.gz BUMPGSAKZVLUQU-OAQYLSRUSA-N 1 0 382.508 4.384 20 0 GIADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CC(c2cccc(Cl)c2)C1 ZINC000458477632 823045162 /nfs/dbraw/zinc/04/51/62/823045162.db2.gz BOIGUTKLVBEUQP-UHFFFAOYSA-N 1 0 375.944 4.246 20 0 GIADRO COc1ccc(-c2csc(CNC(=O)N(C)[C@@H]3CC[N@@H+](C(C)C)C3)c2)cc1 ZINC000458477072 823045178 /nfs/dbraw/zinc/04/51/78/823045178.db2.gz AXAUEOZGFWYLLG-GOSISDBHSA-N 1 0 387.549 4.048 20 0 GIADRO CCO[C@H]1C[C@]([NH3+])(C(=O)Nc2nc(-c3ccccc3)c(C(C)C)s2)C1(C)C ZINC000187341540 823046107 /nfs/dbraw/zinc/04/61/07/823046107.db2.gz SQKJFQSQEYMFKU-BTYIYWSLSA-N 1 0 387.549 4.405 20 0 GIADRO COc1ccccc1CSc1ccccc1NC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000570498513 823046651 /nfs/dbraw/zinc/04/66/51/823046651.db2.gz KCZKMKVPBIYSLW-RDJZCZTQSA-N 1 0 385.533 4.107 20 0 GIADRO O=c1cc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)c2cc3c(cc2o1)CCC3 ZINC000175815450 823046837 /nfs/dbraw/zinc/04/68/37/823046837.db2.gz VAORSEYMOTZVOU-QUCCMNQESA-N 1 0 395.524 4.431 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)N2CC(C)(CC(F)(F)F)C2)CC[N@@H+]1Cc1ccccc1 ZINC000458490970 823047024 /nfs/dbraw/zinc/04/70/24/823047024.db2.gz JMJNOMOOIATNCU-WBVHZDCISA-N 1 0 383.458 4.023 20 0 GIADRO C[C@H]([NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000570502283 823047079 /nfs/dbraw/zinc/04/70/79/823047079.db2.gz NTLSZYROOKGRHT-SAWYMBPVSA-N 1 0 389.511 4.213 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3s2)CC[NH2+]1 ZINC000570501468 823047086 /nfs/dbraw/zinc/04/70/86/823047086.db2.gz IOUONXWHYXABPC-AYBZRNKSSA-N 1 0 394.544 4.020 20 0 GIADRO CN1c2ccc(C[NH2+]Cc3ccc(-c4ccccc4C#N)cc3)cc2CCC1=O ZINC000187351229 823047599 /nfs/dbraw/zinc/04/75/99/823047599.db2.gz MGGGSTBZCLOOBT-UHFFFAOYSA-N 1 0 381.479 4.424 20 0 GIADRO C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000570515127 823048406 /nfs/dbraw/zinc/04/84/06/823048406.db2.gz GFXPSQACRWKTSY-MAUKXSAKSA-N 1 0 379.504 4.173 20 0 GIADRO OC[C@@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1cccc(Cl)c1F ZINC000570514912 823048410 /nfs/dbraw/zinc/04/84/10/823048410.db2.gz XTWWEIIPHVXUKF-YLJYHZDGSA-N 1 0 388.914 4.299 20 0 GIADRO COc1ccc(-c2cnc(C[N@@H+]3CCC[C@H]3C[C@H](O)c3cccs3)o2)cc1 ZINC000175826741 823049288 /nfs/dbraw/zinc/04/92/88/823049288.db2.gz MTPMABFAAWKEFI-WMZOPIPTSA-N 1 0 384.501 4.500 20 0 GIADRO Cc1cc(=O)oc2cc(OCC[N@@H+]3CCC[C@H]3C[C@H](O)c3cccs3)ccc12 ZINC000175832218 823050353 /nfs/dbraw/zinc/05/03/53/823050353.db2.gz DUAZWEAGAIHBAX-LPHOPBHVSA-N 1 0 399.512 4.130 20 0 GIADRO COc1cc(C[NH2+]C[C@@]2(O)CCCC2(C)C)ccc1OCc1cccs1 ZINC000570532688 823050832 /nfs/dbraw/zinc/05/08/32/823050832.db2.gz XKMNDLBXWRLVEZ-NRFANRHFSA-N 1 0 375.534 4.367 20 0 GIADRO CC[NH+](CC)[C@H]1CCN(C(=O)N[C@H](C)c2sc(-c3ccccc3)nc2C)C1 ZINC000175834146 823050895 /nfs/dbraw/zinc/05/08/95/823050895.db2.gz AFNOSAGQWBOENT-AEFFLSMTSA-N 1 0 386.565 4.305 20 0 GIADRO CC1(C)OCc2cc(C[NH2+]C[C@H](O)c3cc(Cl)cc(Cl)c3)ccc2O1 ZINC000187368143 823050990 /nfs/dbraw/zinc/05/09/90/823050990.db2.gz JLTNUGLJWCMXQQ-KRWDZBQOSA-N 1 0 382.287 4.462 20 0 GIADRO C[C@H](NC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)c1cncc(F)c1 ZINC000570535376 823051105 /nfs/dbraw/zinc/05/11/05/823051105.db2.gz RQALWICVVDPQKU-KRWDZBQOSA-N 1 0 384.499 4.157 20 0 GIADRO COc1cccc([C@@H]2[C@H](NC(=O)[C@H]3CC[C@H](C(F)(F)F)C3)CC[N@@H+]2C2CC2)c1 ZINC000570535890 823051118 /nfs/dbraw/zinc/05/11/18/823051118.db2.gz BXYGNDVUMUJJIS-ILRDRHFLSA-N 1 0 396.453 4.068 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1cc2cccc(F)c2o1 ZINC000120724275 823052982 /nfs/dbraw/zinc/05/29/82/823052982.db2.gz VLEBZKXNNDGBTE-UHFFFAOYSA-N 1 0 382.435 4.029 20 0 GIADRO Cc1ccc(C[NH2+]C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)s1 ZINC000187381483 823053119 /nfs/dbraw/zinc/05/31/19/823053119.db2.gz SKJHEGGKKPCLBL-UHFFFAOYSA-N 1 0 382.451 4.470 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc(C(=O)c3ccccc3)c2)[C@H](C)C1 ZINC000120733867 823054511 /nfs/dbraw/zinc/05/45/11/823054511.db2.gz QAGCMYBVUYABGI-UTKZUKDTSA-N 1 0 379.504 4.112 20 0 GIADRO O=C(c1cscc1-c1ccccc1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000570560197 823054523 /nfs/dbraw/zinc/05/45/23/823054523.db2.gz UGTIZKAWWNPOCQ-UHFFFAOYSA-N 1 0 398.572 4.380 20 0 GIADRO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]CCc1nn(C)c2ccccc12 ZINC000187392241 823055088 /nfs/dbraw/zinc/05/50/88/823055088.db2.gz MRCYNIIFSRZKAK-UHFFFAOYSA-N 1 0 387.531 4.076 20 0 GIADRO CC[S@](=O)[C@H]1CCC[C@H]([NH2+]Cc2csc(COc3ccc(C)cc3)n2)C1 ZINC000175865786 823058917 /nfs/dbraw/zinc/05/89/17/823058917.db2.gz JXNVUYGBNYTEIB-VONMNZPZSA-N 1 0 392.590 4.200 20 0 GIADRO CC(C)C[C@@H](CNC(=O)NCc1cnc(C2CC2)o1)[NH2+][C@H](C)c1ccccc1 ZINC000458565551 823056988 /nfs/dbraw/zinc/05/69/88/823056988.db2.gz UBDQWIVPPJHJAF-APWZRJJASA-N 1 0 384.524 4.117 20 0 GIADRO Cc1noc([C@H](C)N(C)C(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)n1 ZINC000570580521 823057117 /nfs/dbraw/zinc/05/71/17/823057117.db2.gz YLGRXAGVEYMDFX-INIZCTEOSA-N 1 0 399.539 4.045 20 0 GIADRO O=c1[nH]c2ccccc2cc1C[N@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1 ZINC000175859472 823057257 /nfs/dbraw/zinc/05/72/57/823057257.db2.gz FTCOESCJRIXZSA-QUCCMNQESA-N 1 0 382.529 4.458 20 0 GIADRO COCc1cc([C@@H](C)[NH2+]C[C@H](c2c(F)cccc2F)N(C)C)ccc1OC ZINC000120756672 823058003 /nfs/dbraw/zinc/05/80/03/823058003.db2.gz WXZXXFAOQNIXOT-AUUYWEPGSA-N 1 0 378.463 4.073 20 0 GIADRO Cc1csc(C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)c1Cl ZINC000570619946 823063076 /nfs/dbraw/zinc/06/30/76/823063076.db2.gz PAEWHFMJKBTUQH-UHFFFAOYSA-N 1 0 378.925 4.113 20 0 GIADRO C[C@H]([NH2+]CCSCc1ccc(Cl)cc1Cl)C1CCS(=O)(=O)CC1 ZINC000187420172 823060267 /nfs/dbraw/zinc/06/02/67/823060267.db2.gz OWOWSGZEWICWDP-LBPRGKRZSA-N 1 0 396.405 4.030 20 0 GIADRO COC(=O)COc1ccc(C[N@H+](C)Cc2cnc(-c3cccs3)s2)cc1 ZINC000187435929 823063497 /nfs/dbraw/zinc/06/34/97/823063497.db2.gz GYLPDHWSARZXJF-UHFFFAOYSA-N 1 0 388.514 4.055 20 0 GIADRO C[C@H](NC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2)[C@@H](C)c1ccccc1C(F)(F)F ZINC000458610046 823063282 /nfs/dbraw/zinc/06/32/82/823063282.db2.gz LWXWLICNZMOVFC-GUXCAODWSA-N 1 0 397.485 4.325 20 0 GIADRO CCOc1ccc(OCC)c(NC(=O)N(CC[NH+](C)C)Cc2cccs2)c1 ZINC000175878187 823062081 /nfs/dbraw/zinc/06/20/81/823062081.db2.gz XAHQVGNYRILMNI-UHFFFAOYSA-N 1 0 391.537 4.141 20 0 GIADRO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)N1C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000458605806 823062528 /nfs/dbraw/zinc/06/25/28/823062528.db2.gz ZHZPEQWZDWJUSW-ZENOOKHLSA-N 1 0 389.437 4.148 20 0 GIADRO C[N@@H+]1CC[C@H](CNC(=O)N2CC(C(C)(C)C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000458613642 823063841 /nfs/dbraw/zinc/06/38/41/823063841.db2.gz JDZUUPZLIQRVPT-KDOFPFPSSA-N 1 0 381.923 4.159 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(-c2nc(C3CC3)no2)cc1)c1ccco1 ZINC000175888288 823063945 /nfs/dbraw/zinc/06/39/45/823063945.db2.gz KAKPMBFEBNKZBZ-GOSISDBHSA-N 1 0 394.475 4.020 20 0 GIADRO O=C(C[C@H]1CCC[N@H+](Cc2cc3ccc(F)cc3[nH]2)C1)NCc1ccc(F)cc1 ZINC000570633405 823064748 /nfs/dbraw/zinc/06/47/48/823064748.db2.gz SDFAVMSHLKZKHK-QGZVFWFLSA-N 1 0 397.469 4.365 20 0 GIADRO 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 ZINC000458622377 823064943 /nfs/dbraw/zinc/06/49/43/823064943.db2.gz BJZDMAFIYTUPEI-KSWRQPAISA-N 1 0 389.506 4.400 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)[C@@H](C)c3nc(-c4cccnc4)no3)C2)s1 ZINC000570635693 823065023 /nfs/dbraw/zinc/06/50/23/823065023.db2.gz SHDGXARNBHKFLC-DLBZAZTESA-N 1 0 397.548 4.016 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)Nc2cccc(CSc3ccccn3)c2)CC[N@@H+]1C ZINC000175893260 823065144 /nfs/dbraw/zinc/06/51/44/823065144.db2.gz CNLDRCRZUGIEQE-QFBILLFUSA-N 1 0 384.549 4.320 20 0 GIADRO C[C@@H]([NH2+]C1(CNC(=O)C2(Cc3ccccc3)CC2)CCOCC1)c1ccccc1 ZINC000175894152 823065394 /nfs/dbraw/zinc/06/53/94/823065394.db2.gz XMFKLPZJEHWYJJ-HXUWFJFHSA-N 1 0 392.543 4.026 20 0 GIADRO C[C@@H](c1ccncc1)N(C)C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000187449585 823065886 /nfs/dbraw/zinc/06/58/86/823065886.db2.gz XCBZJELPMJZGRE-KSSFIOAISA-N 1 0 394.441 4.106 20 0 GIADRO COc1ccc(C[C@@H](C)[NH2+]C[C@@H](c2c(F)cccc2F)N(C)C)c(C)c1OC ZINC000570645108 823066056 /nfs/dbraw/zinc/06/60/56/823066056.db2.gz CMKJPYXIBQSERK-KUHUBIRLSA-N 1 0 392.490 4.114 20 0 GIADRO Oc1cccc(C[N@H+](Cc2cccc(Br)c2)[C@H]2CC[C@H](O)CC2)c1 ZINC000570643268 823066084 /nfs/dbraw/zinc/06/60/84/823066084.db2.gz RFKBDWVAHDYOFH-WGSAOQKQSA-N 1 0 390.321 4.460 20 0 GIADRO Cc1cc(Sc2ncccn2)ccc1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000175896854 823066438 /nfs/dbraw/zinc/06/64/38/823066438.db2.gz JSFBLAZUKHYZJZ-ALOPSCKCSA-N 1 0 397.548 4.073 20 0 GIADRO C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CC[C@H](c2c(F)cccc2F)C1 ZINC000187454614 823066646 /nfs/dbraw/zinc/06/66/46/823066646.db2.gz BKVZFMGLXIDPCT-AWEZNQCLSA-N 1 0 384.426 4.402 20 0 GIADRO O[C@H](C[C@@H]1CCC[N@@H+]1Cc1cnn(Cc2ccc(F)cc2)c1)c1cccs1 ZINC000187454596 823066675 /nfs/dbraw/zinc/06/66/75/823066675.db2.gz ZVOAUDSSAQFSNR-VQTJNVASSA-N 1 0 385.508 4.220 20 0 GIADRO CCc1cnccc1[C@H](C)NC(=O)NC[C@H](c1ccc(SC)cc1)[NH+](C)C ZINC000458633490 823067460 /nfs/dbraw/zinc/06/74/60/823067460.db2.gz WQFDWZWXOVIYFK-MGPUTAFESA-N 1 0 386.565 4.029 20 0 GIADRO CCc1cnccc1[C@@H](C)NC(=O)NC[C@@H](c1ccc(SC)cc1)[NH+](C)C ZINC000458633491 823067489 /nfs/dbraw/zinc/06/74/89/823067489.db2.gz WQFDWZWXOVIYFK-QRWLVFNGSA-N 1 0 386.565 4.029 20 0 GIADRO O[C@@H](C[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1)c1ccc(F)cc1Cl ZINC000187462684 823068150 /nfs/dbraw/zinc/06/81/50/823068150.db2.gz ORNHLGQWPFAVDW-HNNXBMFYSA-N 1 0 391.796 4.065 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc2c(c1)CCCO2 ZINC000175903065 823068159 /nfs/dbraw/zinc/06/81/59/823068159.db2.gz DVZOOXFKXXRJOX-FQEVSTJZSA-N 1 0 393.531 4.388 20 0 GIADRO Cc1nc2ccc(NC(=O)N(Cc3ccccc3)C3CC[NH+](C)CC3)cc2o1 ZINC000175903379 823068276 /nfs/dbraw/zinc/06/82/76/823068276.db2.gz BPAPNMITIZLLIQ-UHFFFAOYSA-N 1 0 378.476 4.265 20 0 GIADRO CC(C)(C)CC[NH+]1CCN(CC(=O)N[C@H](c2cccs2)c2ccccc2)CC1 ZINC000055934810 823068440 /nfs/dbraw/zinc/06/84/40/823068440.db2.gz YVRJJVNJXQCDFB-QFIPXVFZSA-N 1 0 399.604 4.008 20 0 GIADRO C[C@H](c1cccnc1)N(C)C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000187466710 823068527 /nfs/dbraw/zinc/06/85/27/823068527.db2.gz GJFOCUQJDSJHHU-KDOFPFPSSA-N 1 0 394.441 4.106 20 0 GIADRO C[C@@H](NC(=O)N1CC(c2ccc(Cl)cc2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000458641872 823068625 /nfs/dbraw/zinc/06/86/25/823068625.db2.gz WCLUSUFFOJALOZ-NVXWUHKLSA-N 1 0 375.944 4.102 20 0 GIADRO O=C(Nc1ccccc1)C1CC[NH+](Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC000120811955 823069007 /nfs/dbraw/zinc/06/90/07/823069007.db2.gz FZBYXPXVGXFWSJ-UHFFFAOYSA-N 1 0 378.394 4.278 20 0 GIADRO COc1ccccc1Nc1ccccc1C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000570685909 823072054 /nfs/dbraw/zinc/07/20/54/823072054.db2.gz ZKYNNNDRMGKZCA-QGZVFWFLSA-N 1 0 381.520 4.241 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H](C)c1cc2ccccc2o1 ZINC000175908226 823069761 /nfs/dbraw/zinc/06/97/61/823069761.db2.gz FDHNPIJIJCMQOP-QGZVFWFLSA-N 1 0 377.488 4.235 20 0 GIADRO COc1ccc(C[NH2+][C@H]2CCc3c2cc(Br)cc3Cl)c(OC)n1 ZINC000570671463 823070067 /nfs/dbraw/zinc/07/00/67/823070067.db2.gz QTVFYHBWMAQRKF-HNNXBMFYSA-N 1 0 397.700 4.292 20 0 GIADRO Cc1cc(C)c2nc(C3CC3)cc(C(=O)N3CC[C@H](C[NH+]4CCCC4)C3)c2c1 ZINC000175910952 823070346 /nfs/dbraw/zinc/07/03/46/823070346.db2.gz MKQMJVFFQXOKKR-GOSISDBHSA-N 1 0 377.532 4.287 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)cc1 ZINC000055946206 823070462 /nfs/dbraw/zinc/07/04/62/823070462.db2.gz MJRADFNNFVDTJB-VXKWHMMOSA-N 1 0 384.495 4.318 20 0 GIADRO O=C(NCC1(c2ccc(C(F)(F)F)cc2)CC1)N1CCC([NH+]2CCCC2)CC1 ZINC000187476587 823070853 /nfs/dbraw/zinc/07/08/53/823070853.db2.gz ISQNXOGLPGFJBQ-UHFFFAOYSA-N 1 0 395.469 4.007 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccc2ncccc2c1 ZINC000120820051 823070990 /nfs/dbraw/zinc/07/09/90/823070990.db2.gz GDFZMPOUQLNZEH-UHFFFAOYSA-N 1 0 379.891 4.283 20 0 GIADRO C[C@H](NC(=O)C[C@H]1CCCC[C@@H]1[NH3+])c1cccc(NC(=O)c2ccccc2)c1 ZINC000570679540 823071274 /nfs/dbraw/zinc/07/12/74/823071274.db2.gz OEMSIKGDCJJQDQ-SCWSEQNSSA-N 1 0 379.504 4.024 20 0 GIADRO COCCc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2cccc(Cl)c2Cl)cc1 ZINC000570692417 823072645 /nfs/dbraw/zinc/07/26/45/823072645.db2.gz FZVUGFGVVIVBSG-HOCLYGCPSA-N 1 0 398.330 4.273 20 0 GIADRO CCCc1c(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cnn1-c1ccc(C)cc1 ZINC000570694042 823072784 /nfs/dbraw/zinc/07/27/84/823072784.db2.gz ULSVOEXBWXWVNZ-IBGZPJMESA-N 1 0 395.551 4.083 20 0 GIADRO C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000570693677 823072980 /nfs/dbraw/zinc/07/29/80/823072980.db2.gz GDLWUXRHNTUKCA-IERDGZPVSA-N 1 0 386.923 4.046 20 0 GIADRO CCCc1c(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cnn1-c1ccc(C)cc1 ZINC000570694051 823072993 /nfs/dbraw/zinc/07/29/93/823072993.db2.gz ULSVOEXBWXWVNZ-LJQANCHMSA-N 1 0 395.551 4.083 20 0 GIADRO C[C@@H](NC(=O)N1Cc2ccc(Cl)cc2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000458682095 823073542 /nfs/dbraw/zinc/07/35/42/823073542.db2.gz OGEIZDCSBGZLSQ-AEFFLSMTSA-N 1 0 383.923 4.276 20 0 GIADRO C[C@H](NC(=O)N1Cc2ccc(Cl)cc2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000458682096 823073576 /nfs/dbraw/zinc/07/35/76/823073576.db2.gz OGEIZDCSBGZLSQ-FUHWJXTLSA-N 1 0 383.923 4.276 20 0 GIADRO Cc1cnc([C@H]([NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)C2CC2)s1 ZINC000187488670 823073704 /nfs/dbraw/zinc/07/37/04/823073704.db2.gz WNSPCOLCLPWFNB-HUUCEWRRSA-N 1 0 385.302 4.127 20 0 GIADRO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000175924042 823074061 /nfs/dbraw/zinc/07/40/61/823074061.db2.gz XUMRNSSQHIJCSY-UHFFFAOYSA-N 1 0 388.471 4.462 20 0 GIADRO CC(C)C1CCC([NH+]2CCN([C@H](C)C(=O)Nc3c(F)cccc3F)CC2)CC1 ZINC000175927496 823075099 /nfs/dbraw/zinc/07/50/99/823075099.db2.gz HIPNTSXRNVOCRW-WWDZGPRUSA-N 1 0 393.522 4.124 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)COCc1ccccc1)c1ccc(Oc2cccnc2)cc1 ZINC000570718954 823075437 /nfs/dbraw/zinc/07/54/37/823075437.db2.gz IBOCFXKABZIBCU-WIYYLYMNSA-N 1 0 378.472 4.102 20 0 GIADRO CN(C)C(=O)COc1cccc(C[NH2+]Cc2ccc(-c3ccccc3Cl)o2)c1 ZINC000120853674 823077181 /nfs/dbraw/zinc/07/71/81/823077181.db2.gz NVGPOLVQWMRNEB-UHFFFAOYSA-N 1 0 398.890 4.357 20 0 GIADRO C[C@@H](N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(-n2cncn2)cc1Cl ZINC000120851916 823076427 /nfs/dbraw/zinc/07/64/27/823076427.db2.gz ARBCJSPDQDOJQW-VGSWGCGISA-N 1 0 395.938 4.408 20 0 GIADRO CC(C)[C@@H]1CN(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)[C@H]1C(C)C ZINC000458721900 823078278 /nfs/dbraw/zinc/07/82/78/823078278.db2.gz ADHBICFBNJHBMN-FOIPXRHGSA-N 1 0 389.506 4.114 20 0 GIADRO COc1cc(OC)c(OC)cc1C[NH2+]Cc1cccc(Br)c1C ZINC000570738596 823078879 /nfs/dbraw/zinc/07/88/79/823078879.db2.gz AVTAPDWQCVGLOA-UHFFFAOYSA-N 1 0 380.282 4.073 20 0 GIADRO Cc1nc(CCCC(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)cs1 ZINC000175949538 823080159 /nfs/dbraw/zinc/08/01/59/823080159.db2.gz MKDPBYJBIXJURA-UHFFFAOYSA-N 1 0 389.590 4.270 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)C[NH2+][C@@H]2CCC(C)(C)C[C@H]2C)c(C(F)(F)F)c1 ZINC000120876496 823080934 /nfs/dbraw/zinc/08/09/34/823080934.db2.gz BFQOGVITCJMREL-MLGOLLRUSA-N 1 0 399.457 4.407 20 0 GIADRO Cc1cc(C)c(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1Br ZINC000187528395 823082358 /nfs/dbraw/zinc/08/23/58/823082358.db2.gz AMCVBTKASZGFLM-WMLDXEAASA-N 1 0 380.330 4.014 20 0 GIADRO C[C@H](Cc1ccccc1F)NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000175959262 823082465 /nfs/dbraw/zinc/08/24/65/823082465.db2.gz HKOZVVISDLGVMQ-GOSISDBHSA-N 1 0 383.511 4.063 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1c(F)ccc(F)c1F ZINC000187529822 823082626 /nfs/dbraw/zinc/08/26/26/823082626.db2.gz OAXDXYXDOYHFFT-MRXNPFEDSA-N 1 0 376.422 4.088 20 0 GIADRO O=C(NCC[NH2+][C@@H](c1ccc(Br)s1)C1CC1)c1ccccc1F ZINC000190591515 823589055 /nfs/dbraw/zinc/58/90/55/823589055.db2.gz YEYCPWCPUORSBG-MRXNPFEDSA-N 1 0 397.313 4.120 20 0 GIADRO Brc1ccccc1-c1ccc(C[N@@H+]2CCO[C@]3(CCOC3)C2)s1 ZINC000187534770 823083714 /nfs/dbraw/zinc/08/37/14/823083714.db2.gz FQRKTTSOFNTYIB-GOSISDBHSA-N 1 0 394.334 4.169 20 0 GIADRO CCOc1ccc(NC(=O)NC2CC([NH+]3CCCCC3)C2)c(C(F)(F)F)c1 ZINC000570770644 823084670 /nfs/dbraw/zinc/08/46/70/823084670.db2.gz HWUHSYSFKUZCEZ-UHFFFAOYSA-N 1 0 385.430 4.243 20 0 GIADRO COC(=O)Cc1cccc(C(=O)Nc2cccc3c2C[N@H+](CCC(C)C)C3)c1 ZINC000187537805 823084843 /nfs/dbraw/zinc/08/48/43/823084843.db2.gz HPLKIMLYHZCLIM-UHFFFAOYSA-N 1 0 380.488 4.016 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)c2ccccc2CSC2=NCCS2)c1 ZINC000175973662 823086171 /nfs/dbraw/zinc/08/61/71/823086171.db2.gz GRNXHCPWZUFKDR-UHFFFAOYSA-N 1 0 399.585 4.014 20 0 GIADRO CC[C@@]1(CO)CCC[N@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000187546138 823086234 /nfs/dbraw/zinc/08/62/34/823086234.db2.gz LUGYSUQLMVGMGK-HSZRJFAPSA-N 1 0 382.504 4.292 20 0 GIADRO C[C@H]([NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)C(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000570782120 823086441 /nfs/dbraw/zinc/08/64/41/823086441.db2.gz KREMHEDVZVDIER-TZOBPFOUSA-N 1 0 380.532 4.199 20 0 GIADRO C[C@@H](O)C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000570785427 823087241 /nfs/dbraw/zinc/08/72/41/823087241.db2.gz VHJQZJUGQPALBT-DENIHFKCSA-N 1 0 396.531 4.220 20 0 GIADRO CCOc1ccc2c(c1)[C@H]([NH2+]Cc1c[nH]nc1-c1c(F)cccc1F)CCO2 ZINC000187552956 823087261 /nfs/dbraw/zinc/08/72/61/823087261.db2.gz UKJGFBHUZSNGSG-GOSISDBHSA-N 1 0 385.414 4.367 20 0 GIADRO C[C@@H]([NH2+]C[C@@](C)(O)c1ccccc1Cl)c1ncc(Br)cc1F ZINC000187553847 823087392 /nfs/dbraw/zinc/08/73/92/823087392.db2.gz JVGZXJVOUNHEGZ-QLJPJBMISA-N 1 0 387.680 4.195 20 0 GIADRO c1nc(-c2ccncc2)sc1C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000570787452 823087619 /nfs/dbraw/zinc/08/76/19/823087619.db2.gz PYINFUUNZZQLIF-UHFFFAOYSA-N 1 0 375.501 4.461 20 0 GIADRO COc1cccc([C@H](CNC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)[NH+]2CCCC2)c1 ZINC000056144421 823087739 /nfs/dbraw/zinc/08/77/39/823087739.db2.gz CPWKSYILWJURBV-QYZOEREBSA-N 1 0 398.469 4.317 20 0 GIADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)Nc1ccc(NCCc2ccccc2)cc1 ZINC000175980901 823087861 /nfs/dbraw/zinc/08/78/61/823087861.db2.gz NWLFEJGQOFSBIU-QHCPKHFHSA-N 1 0 395.547 4.073 20 0 GIADRO C[C@H](C[C@H](O)c1ccco1)[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000120927791 823088072 /nfs/dbraw/zinc/08/80/72/823088072.db2.gz ZZAWUYHGYPAHPE-KUHUBIRLSA-N 1 0 380.891 4.138 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)N[C@H]1CCc2sc(Cl)cc21 ZINC000458803769 823088742 /nfs/dbraw/zinc/08/87/42/823088742.db2.gz JOVFTKXJPVYEMI-AWEZNQCLSA-N 1 0 383.970 4.224 20 0 GIADRO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(NC(=O)NC3CC3)cc2)c(C)c1 ZINC000056159749 823092380 /nfs/dbraw/zinc/09/23/80/823092380.db2.gz LBYXPADQMBOYQK-IAGOWNOFSA-N 1 0 394.519 4.265 20 0 GIADRO CCc1nnc(-c2ccc(NC(=O)NCCCC[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)o1 ZINC000176000113 823092348 /nfs/dbraw/zinc/09/23/48/823092348.db2.gz VKIGBJPCNYKWAQ-CALCHBBNSA-N 1 0 399.539 4.179 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)[C@@H]1c1cccs1 ZINC000175987159 823089315 /nfs/dbraw/zinc/08/93/15/823089315.db2.gz XXLFYYSFSSQRMN-DLVXIWMQSA-N 1 0 387.524 4.125 20 0 GIADRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)CC1 ZINC000570800621 823089343 /nfs/dbraw/zinc/08/93/43/823089343.db2.gz URVYGXLLANCVEX-RCCFBDPRSA-N 1 0 381.347 4.334 20 0 GIADRO CCOC(=O)N1CCC([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc3ccccc3c2)CC1 ZINC000187565012 823089394 /nfs/dbraw/zinc/08/93/94/823089394.db2.gz GYAOOZJBSSVYSF-DLBZAZTESA-N 1 0 397.519 4.013 20 0 GIADRO CCOC(=O)N1CCC([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc3ccccc3c2)CC1 ZINC000187564996 823089408 /nfs/dbraw/zinc/08/94/08/823089408.db2.gz GYAOOZJBSSVYSF-IAGOWNOFSA-N 1 0 397.519 4.013 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1cccc(NC(=O)c2ccccc2)c1)C(=O)N1CCC(C)CC1 ZINC000056153255 823090041 /nfs/dbraw/zinc/09/00/41/823090041.db2.gz AMKUDBDJFPPHDA-OALUTQOASA-N 1 0 393.531 4.237 20 0 GIADRO CC(C)c1noc2nc(-c3ccco3)cc(C(=O)N(C)[C@H]3CC[N@H+](C)C[C@H]3C)c21 ZINC000120944278 823090584 /nfs/dbraw/zinc/09/05/84/823090584.db2.gz RDSUUGDXYYYSJJ-PBHICJAKSA-N 1 0 396.491 4.018 20 0 GIADRO COc1cc(C)c([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(Cl)c2)cc1OC ZINC000056154182 823090817 /nfs/dbraw/zinc/09/08/17/823090817.db2.gz LOTCCRUSIBBDDD-ZIAGYGMSSA-N 1 0 376.884 4.343 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[C@@H](c2ccccc2)C(F)(F)F)[C@@H](C)C1 ZINC000458816155 823090885 /nfs/dbraw/zinc/09/08/85/823090885.db2.gz IMKPREYVMBMTKT-SZMVWBNQSA-N 1 0 385.474 4.094 20 0 GIADRO C[NH+](C)CCN(C(=O)NCC[C@@H](c1ccccc1)C(F)(F)F)C1CCCC1 ZINC000458817395 823091204 /nfs/dbraw/zinc/09/12/04/823091204.db2.gz KKUYRSLVWFVQPC-SFHVURJKSA-N 1 0 385.474 4.238 20 0 GIADRO CCn1nc(C)c(C[NH2+]CCCOc2ncc(C(F)(F)F)cc2Cl)c1C ZINC000120950978 823091647 /nfs/dbraw/zinc/09/16/47/823091647.db2.gz WDKNRSLKENRNIU-UHFFFAOYSA-N 1 0 390.837 4.146 20 0 GIADRO CCN(C(=O)NCCC1(COC)CCC1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000458830570 823093699 /nfs/dbraw/zinc/09/36/99/823093699.db2.gz NZSVGWARUCPIMK-TZIWHRDSSA-N 1 0 387.568 4.060 20 0 GIADRO CC(C)Oc1ccc([C@H](C)[NH2+][C@H](C)C(=O)NC(=O)Nc2ccccc2F)cc1 ZINC000056163588 823094007 /nfs/dbraw/zinc/09/40/07/823094007.db2.gz QZSVFWOKMBHRMV-LSDHHAIUSA-N 1 0 387.455 4.000 20 0 GIADRO CC(C)Oc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NC(=O)Nc2ccccc2F)cc1 ZINC000056163587 823094016 /nfs/dbraw/zinc/09/40/16/823094016.db2.gz QZSVFWOKMBHRMV-HUUCEWRRSA-N 1 0 387.455 4.000 20 0 GIADRO CC[NH+]1CCN(c2ccc(N[C@H](C)c3nnc(-c4cccs4)o3)c(C)c2)CC1 ZINC000056170285 823094849 /nfs/dbraw/zinc/09/48/49/823094849.db2.gz BHJJVTIHNITOAB-MRXNPFEDSA-N 1 0 397.548 4.422 20 0 GIADRO Cc1ccc(C)c(OC2CCN(C(=O)NC3CC[NH+](C4CCCC4)CC3)CC2)c1 ZINC000176008787 823094863 /nfs/dbraw/zinc/09/48/63/823094863.db2.gz QLMYWSVXDGARDF-UHFFFAOYSA-N 1 0 399.579 4.263 20 0 GIADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)NCC[C@H](c2ccccc2)C(F)(F)F)C1 ZINC000458835201 823094904 /nfs/dbraw/zinc/09/49/04/823094904.db2.gz CPCWASOYDMMFFG-IEBWSBKVSA-N 1 0 397.485 4.096 20 0 GIADRO CC[NH+]1CCN(c2ccc(N[C@@H](C)C(=O)Nc3ccc(C)cc3F)c(C)c2)CC1 ZINC000056170384 823095041 /nfs/dbraw/zinc/09/50/41/823095041.db2.gz DNHDNAJVAFIRSH-SFHVURJKSA-N 1 0 398.526 4.024 20 0 GIADRO O=C(NCCCCC[NH+]1CCCC1)N1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000458840373 823095992 /nfs/dbraw/zinc/09/59/92/823095992.db2.gz DWXFWJUCTNQYSE-FQEVSTJZSA-N 1 0 383.540 4.066 20 0 GIADRO C[C@H](C(=O)NCC1CC[NH+](Cc2cccs2)CC1)c1c(F)cccc1F ZINC000120978010 823096432 /nfs/dbraw/zinc/09/64/32/823096432.db2.gz LSPSPRIWFHPWII-AWEZNQCLSA-N 1 0 378.488 4.158 20 0 GIADRO Cc1cccc2nc(C3CCN(C(=O)NCCCCC[NH+]4CCCC4)CC3)oc21 ZINC000458844376 823096491 /nfs/dbraw/zinc/09/64/91/823096491.db2.gz IGVUNRDDHCNROW-UHFFFAOYSA-N 1 0 398.551 4.291 20 0 GIADRO CC[NH+](CC)Cc1cccc(CN[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)c1 ZINC000056184906 823098066 /nfs/dbraw/zinc/09/80/66/823098066.db2.gz OYDBLQLXDWMTDN-HNNXBMFYSA-N 1 0 398.576 4.294 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc2c(c1)OCO2)c1cccc(C(F)(F)F)c1 ZINC000120981910 823097065 /nfs/dbraw/zinc/09/70/65/823097065.db2.gz ZLYMMOMRVXEBBA-NEPJUHHUSA-N 1 0 380.366 4.112 20 0 GIADRO O=C(NCC[C@H](c1ccccc1)C(F)(F)F)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000458847873 823097307 /nfs/dbraw/zinc/09/73/07/823097307.db2.gz REPLFERYQHVWBS-RTBURBONSA-N 1 0 397.485 4.383 20 0 GIADRO Clc1cnn(C2CC[NH+](Cc3ccc(OCc4ccccc4)nc3)CC2)c1 ZINC000570860054 823097350 /nfs/dbraw/zinc/09/73/50/823097350.db2.gz UZQZGQPRWZNGHC-UHFFFAOYSA-N 1 0 382.895 4.348 20 0 GIADRO COc1ccccc1-c1nnc(SCC[NH+](C)C)n1-c1ccc(Cl)cc1 ZINC000120992009 823098896 /nfs/dbraw/zinc/09/88/96/823098896.db2.gz PFUDPODWKYOLBQ-UHFFFAOYSA-N 1 0 388.924 4.250 20 0 GIADRO CCc1cnc(CNC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)s1 ZINC000176027118 823098993 /nfs/dbraw/zinc/09/89/93/823098993.db2.gz LDXLVCKFBMPXSN-UHFFFAOYSA-N 1 0 386.565 4.081 20 0 GIADRO CCOc1cccc([C@@H](C)NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)c1 ZINC000176027947 823099267 /nfs/dbraw/zinc/09/92/67/823099267.db2.gz LBEVIWIQNVCATE-LJQANCHMSA-N 1 0 395.547 4.452 20 0 GIADRO CCc1ccc([C@H](NC(=O)C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)c2cccs2)cc1 ZINC000570871907 823099493 /nfs/dbraw/zinc/09/94/93/823099493.db2.gz QQZPUAJLYGBXDJ-QTEQDKRBSA-N 1 0 398.572 4.160 20 0 GIADRO CCN(C(=O)NC[C@@H](c1ccc(SC)cc1)[NH+](C)C)[C@@H](C)c1cccnc1 ZINC000458877102 823100398 /nfs/dbraw/zinc/10/03/98/823100398.db2.gz AUCNVJAOIBJISH-JXFKEZNVSA-N 1 0 386.565 4.199 20 0 GIADRO Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H](c2ccco2)N2CCCCC2)c(C)c1 ZINC000121001169 823100582 /nfs/dbraw/zinc/10/05/82/823100582.db2.gz JFMDTXGIKJXWAQ-PZJWPPBQSA-N 1 0 383.536 4.430 20 0 GIADRO CSc1ccc([C@@H](CNC(=O)NC2CCC(C(F)F)CC2)[NH+](C)C)cc1 ZINC000458878991 823100708 /nfs/dbraw/zinc/10/07/08/823100708.db2.gz BZJGYEVNLPYKNQ-VMBOVVBDSA-N 1 0 385.524 4.134 20 0 GIADRO COc1cc(C[NH2+][C@@H]2C[C@@H](OC(C)C)C2(C)C)cc(OC)c1OCC(F)F ZINC000570881661 823101159 /nfs/dbraw/zinc/10/11/59/823101159.db2.gz QVVNFROOGOZISC-IAGOWNOFSA-N 1 0 387.467 4.029 20 0 GIADRO CSc1ccc([C@H](CNC(=O)N(C)Cc2cccc3[nH]ccc32)[NH+](C)C)cc1 ZINC000458882454 823101303 /nfs/dbraw/zinc/10/13/03/823101303.db2.gz FEWFJHCAOHELSS-NRFANRHFSA-N 1 0 396.560 4.334 20 0 GIADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(COc2ccc3ccccc3c2)o1 ZINC000121006173 823101727 /nfs/dbraw/zinc/10/17/27/823101727.db2.gz KDMDOLMICHHBQE-JTSKRJEESA-N 1 0 392.499 4.424 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1ccccc1SC(F)(F)F)Cc1ccccc1 ZINC000056202936 823102322 /nfs/dbraw/zinc/10/23/22/823102322.db2.gz PYMIBSZGQSLHGC-OAHLLOKOSA-N 1 0 382.451 4.201 20 0 GIADRO CC[C@@]1(CO)CCC[N@@H+]([C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000187641293 823103361 /nfs/dbraw/zinc/10/33/61/823103361.db2.gz FACFLQRTCFGLGM-SCLBCKFNSA-N 1 0 383.414 4.301 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)c2c(F)cccc2Br)c1 ZINC000176039882 823103541 /nfs/dbraw/zinc/10/35/41/823103541.db2.gz CXJWFUHASAWQDL-UHFFFAOYSA-N 1 0 393.300 4.360 20 0 GIADRO C[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C)c1cc(F)c(Cl)cc1Cl ZINC000176040078 823103747 /nfs/dbraw/zinc/10/37/47/823103747.db2.gz XEPSTRGTCBXVOF-MMPTUQATSA-N 1 0 376.303 4.175 20 0 GIADRO CSc1ccc([C@H](CNC(=O)N2CC(C)(C)[C@@H]2c2ccncc2)[NH+](C)C)cc1 ZINC000458901453 823103911 /nfs/dbraw/zinc/10/39/11/823103911.db2.gz RWTDROSIAAPIMN-PMACEKPBSA-N 1 0 398.576 4.199 20 0 GIADRO CSc1ccc([C@H](CNC(=O)N2C[C@H](C)C[C@@H]2c2cccnc2)[NH+](C)C)cc1 ZINC000458902642 823104208 /nfs/dbraw/zinc/10/42/08/823104208.db2.gz SUQPMIPSTWIPRQ-HBGVWJBISA-N 1 0 398.576 4.199 20 0 GIADRO COc1cc(CC(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2ccccc2)ccc1Cl ZINC000570898968 823104799 /nfs/dbraw/zinc/10/47/99/823104799.db2.gz ALJAUWSBRXWUJT-XMSQKQJNSA-N 1 0 386.923 4.090 20 0 GIADRO CCOc1ccccc1NC(=O)[C@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1ccccc1 ZINC000187653771 823106090 /nfs/dbraw/zinc/10/60/90/823106090.db2.gz ZGVJENBTIQNZRO-GHTZIAJQSA-N 1 0 382.504 4.312 20 0 GIADRO C[C@@H](NC(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1)C(C)(C)C[NH+](C)C ZINC000121052376 823109266 /nfs/dbraw/zinc/10/92/66/823109266.db2.gz CVQMZRFMJRKFBM-QGZVFWFLSA-N 1 0 396.535 4.061 20 0 GIADRO CC[C@@H]1CCCC[C@@H]1CNC(=O)N1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000458941736 823109610 /nfs/dbraw/zinc/10/96/10/823109610.db2.gz MPIZQVHEPYCMNZ-GUDVDZBRSA-N 1 0 392.613 4.131 20 0 GIADRO CCC[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(CC)CC)cc1)c1ccsc1 ZINC000187669327 823109680 /nfs/dbraw/zinc/10/96/80/823109680.db2.gz DOYWPHPBPQBHTJ-IBGZPJMESA-N 1 0 380.579 4.410 20 0 GIADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CCCC[C@H]2CC(F)(F)F)o1 ZINC000458941950 823109795 /nfs/dbraw/zinc/10/97/95/823109795.db2.gz HWYNYTAQHMYTOW-RDJZCZTQSA-N 1 0 389.462 4.172 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cc(F)ccc1Cl ZINC000176063549 823110307 /nfs/dbraw/zinc/11/03/07/823110307.db2.gz YSXQZEZVISFKTG-INIZCTEOSA-N 1 0 375.875 4.465 20 0 GIADRO CC(C)(C[NH2+]Cc1conc1Cc1ccccc1)N1CCc2ccccc2C1 ZINC000570944387 823110354 /nfs/dbraw/zinc/11/03/54/823110354.db2.gz ABLDWUFSLUCYDY-UHFFFAOYSA-N 1 0 375.516 4.192 20 0 GIADRO COc1ccc(C[N@H+](Cc2cnc(N(C)C)s2)[C@H](C)C2CC2)c(OC)c1 ZINC000570944401 823110455 /nfs/dbraw/zinc/11/04/55/823110455.db2.gz AOIBKZPHIAVPPZ-CQSZACIVSA-N 1 0 375.538 4.027 20 0 GIADRO COc1cccc(C[C@H]([NH2+]C2CCN(C(=O)c3ccccc3F)CC2)C2CC2)c1 ZINC000121061299 823111126 /nfs/dbraw/zinc/11/11/26/823111126.db2.gz XOGVWOPADNNSIV-QHCPKHFHSA-N 1 0 396.506 4.050 20 0 GIADRO C[N@H+](Cc1ccccc1)C1(CNC(=O)N2CCC(c3nccs3)CC2)CCC1 ZINC000458971418 823112074 /nfs/dbraw/zinc/11/20/74/823112074.db2.gz JTSQDGJNKCRELG-UHFFFAOYSA-N 1 0 398.576 4.087 20 0 GIADRO COc1cccc(COC[C@@H](O)C[N@H+](C)[C@H](C)c2sc(C(C)C)nc2C)c1 ZINC000121068588 823112214 /nfs/dbraw/zinc/11/22/14/823112214.db2.gz KXJMIMDCIBDYED-AEFFLSMTSA-N 1 0 392.565 4.154 20 0 GIADRO Cc1nc([C@H]2CCCN2C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)cs1 ZINC000187691947 823114094 /nfs/dbraw/zinc/11/40/94/823114094.db2.gz FFDXWCXWKUIASR-AFMYVXGZSA-N 1 0 390.597 4.341 20 0 GIADRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccccc1OC(F)F)c1ccc(OC)cc1 ZINC000121085007 823115509 /nfs/dbraw/zinc/11/55/09/823115509.db2.gz RMBKBNUOPABPSZ-CJNGLKHVSA-N 1 0 378.419 4.365 20 0 GIADRO CCOC(=O)N1CCC([C@@H](C)[NH2+][C@@H](C)c2ccc(SC)c(OC)c2)CC1 ZINC000187701029 823115662 /nfs/dbraw/zinc/11/56/62/823115662.db2.gz RGFLUWDOAMPZPO-CABCVRRESA-N 1 0 380.554 4.325 20 0 GIADRO Cc1nn2c(C[N@@H+]3CC[C@]4(C3)CCc3ccccc3O4)c(C(C)C)nc2s1 ZINC000570983691 823115752 /nfs/dbraw/zinc/11/57/52/823115752.db2.gz NZMAPVHOYLWVHL-NRFANRHFSA-N 1 0 382.533 4.192 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2nn(CCC(C)C)c3ccccc23)C[C@H]1C ZINC000459014171 823116786 /nfs/dbraw/zinc/11/67/86/823116786.db2.gz UYTZQFFFYOUFQD-MOPGFXCFSA-N 1 0 399.583 4.097 20 0 GIADRO COc1cccc(C[C@H]([NH2+]Cc2ccc(-n3nc(C)cc3C)nc2)C2CC2)c1 ZINC000121091726 823116907 /nfs/dbraw/zinc/11/69/07/823116907.db2.gz ABPVNNWXFHZURX-QFIPXVFZSA-N 1 0 376.504 4.004 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NC[C@@H]2CCOC3(CCC3)C2)CC1 ZINC000459014538 823116993 /nfs/dbraw/zinc/11/69/93/823116993.db2.gz KWXBTMHSKCYLSI-PZJWPPBQSA-N 1 0 391.600 4.022 20 0 GIADRO CCC[C@H](NC(=O)N1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1)C(C)(C)C ZINC000459014797 823117059 /nfs/dbraw/zinc/11/70/59/823117059.db2.gz RMBMECCAFLWPAS-WMZOPIPTSA-N 1 0 380.602 4.130 20 0 GIADRO CC[NH+](CC)CC(=O)Nc1cccc(N[C@@H]2CCCOc3cc(F)ccc32)c1 ZINC000570994479 823117248 /nfs/dbraw/zinc/11/72/48/823117248.db2.gz NXIQUMCDNHPIQH-HXUWFJFHSA-N 1 0 385.483 4.432 20 0 GIADRO C[C@@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1cccc(Cl)c1 ZINC000187709725 823117891 /nfs/dbraw/zinc/11/78/91/823117891.db2.gz MKIKUSIEPIKKIT-HNNXBMFYSA-N 1 0 376.903 4.334 20 0 GIADRO CCCN(CCC)C(=O)c1ccc(NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1 ZINC000121099212 823118248 /nfs/dbraw/zinc/11/82/48/823118248.db2.gz GQRHKNQKVARTEO-QGZVFWFLSA-N 1 0 390.572 4.047 20 0 GIADRO CC1CC[NH+](Cc2ccc(-c3noc(C(F)(F)C4CCOCC4)n3)cc2)CC1 ZINC000571004406 823118605 /nfs/dbraw/zinc/11/86/05/823118605.db2.gz QFMJKCPBGIXMIH-UHFFFAOYSA-N 1 0 391.462 4.487 20 0 GIADRO O=C(CC[NH+]1CCC(OC2CCCC2)CC1)Nc1ccccc1Br ZINC000121134524 823124260 /nfs/dbraw/zinc/12/42/60/823124260.db2.gz JJUWETVQLBMFND-UHFFFAOYSA-N 1 0 395.341 4.201 20 0 GIADRO COc1ccc2c(CC(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)coc2c1 ZINC000176102738 823121141 /nfs/dbraw/zinc/12/11/41/823121141.db2.gz HPGCOFLUENBEGH-FXAWDEMLSA-N 1 0 392.499 4.153 20 0 GIADRO CCOc1ccccc1CCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000176103795 823121709 /nfs/dbraw/zinc/12/17/09/823121709.db2.gz BUTPSQUHGUDJMK-KNQAVFIVSA-N 1 0 380.532 4.187 20 0 GIADRO C[NH2+][C@@H](CC(C)(C)C)C(=O)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F ZINC000571043748 823124481 /nfs/dbraw/zinc/12/44/81/823124481.db2.gz CIDLTYRCBWWVQE-AAEUAGOBSA-N 1 0 382.373 4.032 20 0 GIADRO Cc1cccc2[nH]cc(CC(=O)N[C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)c21 ZINC000176104889 823121885 /nfs/dbraw/zinc/12/18/85/823121885.db2.gz KBQLVAOPAQKQHB-NQIIRXRSSA-N 1 0 375.516 4.188 20 0 GIADRO Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CCC(=O)Nc1ccc2c(c1)OCO2 ZINC000121121754 823122184 /nfs/dbraw/zinc/12/21/84/823122184.db2.gz FDHKRVLSCVPSRB-AWEZNQCLSA-N 1 0 389.521 4.325 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)CC[NH+]1CCC(OC2CCCC2)CC1 ZINC000121123371 823122491 /nfs/dbraw/zinc/12/24/91/823122491.db2.gz ZYANEADXUUIVRS-UHFFFAOYSA-N 1 0 380.916 4.101 20 0 GIADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2cccc(-c3nccn3C)c2)C1 ZINC000176107451 823122523 /nfs/dbraw/zinc/12/25/23/823122523.db2.gz CBGOQCCFKMSOEE-OALUTQOASA-N 1 0 395.551 4.205 20 0 GIADRO Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)C[C@H](O)COCc1ccccc1F ZINC000121128239 823123002 /nfs/dbraw/zinc/12/30/02/823123002.db2.gz QMZOOQLOYRNOMM-RDJZCZTQSA-N 1 0 380.529 4.285 20 0 GIADRO Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000176110196 823123237 /nfs/dbraw/zinc/12/32/37/823123237.db2.gz PTJDIYNVDQAEOP-DYESRHJHSA-N 1 0 389.499 4.433 20 0 GIADRO CC[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1cccc(Cl)c1 ZINC000121140003 823125402 /nfs/dbraw/zinc/12/54/02/823125402.db2.gz URGMCZFCRMKPRV-IFXJQAMLSA-N 1 0 380.941 4.392 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)CCCOc2ccccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000176115809 823125400 /nfs/dbraw/zinc/12/54/00/823125400.db2.gz URPIPULXYGMLAY-UYAOXDASSA-N 1 0 384.495 4.154 20 0 GIADRO CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)c1ccc(Cl)cc1Cl ZINC000571055863 823125787 /nfs/dbraw/zinc/12/57/87/823125787.db2.gz VUUJCLOJTNHEEO-IYHXRUFHSA-N 1 0 398.378 4.118 20 0 GIADRO Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1NC(=O)Nc1ccccc1 ZINC000121145447 823126718 /nfs/dbraw/zinc/12/67/18/823126718.db2.gz IJTCBQZRLOYQDH-UWJYYQICSA-N 1 0 394.519 4.051 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000176120130 823126749 /nfs/dbraw/zinc/12/67/49/823126749.db2.gz QIKURYHJIMNELH-ZQYQINFJSA-N 1 0 384.470 4.238 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)CCCOCCc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000176120637 823127016 /nfs/dbraw/zinc/12/70/16/823127016.db2.gz OHHHUVNJFCKJST-QPPBQGQZSA-N 1 0 394.559 4.195 20 0 GIADRO COc1ccccc1SCC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000121149541 823127692 /nfs/dbraw/zinc/12/76/92/823127692.db2.gz ARNJVZDDCAJEJR-UHFFFAOYSA-N 1 0 398.572 4.158 20 0 GIADRO O=C(N[C@@H]1CCC[N@H+](Cc2cccc3c[nH]nc32)C1)c1ccc2ccccc2c1 ZINC000571070495 823127814 /nfs/dbraw/zinc/12/78/14/823127814.db2.gz UQTHLBIZNZQHOY-JOCHJYFZSA-N 1 0 384.483 4.111 20 0 GIADRO CCCOc1c(Cl)cc(C[N@H+](C)Cc2ccc(C(=O)NC)cc2)cc1OC ZINC000121151248 823128068 /nfs/dbraw/zinc/12/80/68/823128068.db2.gz HYXBTEGCBBDCAQ-UHFFFAOYSA-N 1 0 390.911 4.129 20 0 GIADRO CCC[C@@H]1CCCC[C@@H]1CNC(=O)N(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000459103097 823128383 /nfs/dbraw/zinc/12/83/83/823128383.db2.gz BFDAILCZDKWJII-WKDRNLAYSA-N 1 0 386.584 4.322 20 0 GIADRO CCC[C@H]1CCCC[C@@H]1CNC(=O)N(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000459103094 823128427 /nfs/dbraw/zinc/12/84/27/823128427.db2.gz BFDAILCZDKWJII-MXNKGDRCSA-N 1 0 386.584 4.322 20 0 GIADRO COc1cc(NC(=O)CC[NH2+]Cc2ccc(C3CC3)cc2)c(OC)cc1Cl ZINC000571075304 823128529 /nfs/dbraw/zinc/12/85/29/823128529.db2.gz WGGSJPCDUGUYGF-UHFFFAOYSA-N 1 0 388.895 4.353 20 0 GIADRO CC(C)NC(=O)Nc1ccccc1C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000056327011 823128527 /nfs/dbraw/zinc/12/85/27/823128527.db2.gz WLTAMUHTCKGEMN-UHFFFAOYSA-N 1 0 394.519 4.107 20 0 GIADRO Cc1noc(Cl)c1CCC(=O)NC[C@@H](c1ccc(CC(C)C)cc1)[NH+](C)C ZINC000571079461 823128735 /nfs/dbraw/zinc/12/87/35/823128735.db2.gz RSFCAZYKSHAIIO-IBGZPJMESA-N 1 0 391.943 4.187 20 0 GIADRO Cc1cc(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)c2cnn(C(C)C)c2n1 ZINC000056327229 823128841 /nfs/dbraw/zinc/12/88/41/823128841.db2.gz KCXMKUFMUQNBBD-UHFFFAOYSA-N 1 0 391.519 4.211 20 0 GIADRO Cc1cc2c(o1)CC(C)(C)C[C@H]2[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000121154497 823128894 /nfs/dbraw/zinc/12/88/94/823128894.db2.gz PXVUDBZXJAFKLL-HNAYVOBHSA-N 1 0 390.549 4.203 20 0 GIADRO CCO[C@H]1C[C@]([NH3+])(C(=O)Nc2cccc(OCc3ccccc3C)c2)C1(C)C ZINC000187771614 823129630 /nfs/dbraw/zinc/12/96/30/823129630.db2.gz VHIAAKCSBGZCNU-REWPJTCUSA-N 1 0 382.504 4.045 20 0 GIADRO Cc1nccnc1[C@@H](C)[NH2+]C[C@@H](c1ccccc1)N1CCc2sccc2C1 ZINC000187777654 823130917 /nfs/dbraw/zinc/13/09/17/823130917.db2.gz NIBCWMQEYAJUHS-XLIONFOSSA-N 1 0 378.545 4.297 20 0 GIADRO O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000121166196 823130895 /nfs/dbraw/zinc/13/08/95/823130895.db2.gz APXXAGOERASONC-OAHLLOKOSA-N 1 0 394.359 4.425 20 0 GIADRO C[N@H+](CCCCNC(=O)N1CCc2sccc2[C@@H]1c1cccs1)C1CC1 ZINC000459149700 823135351 /nfs/dbraw/zinc/13/53/51/823135351.db2.gz HAQPMGOHVSFBAZ-LJQANCHMSA-N 1 0 389.590 4.341 20 0 GIADRO O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000121166024 823131070 /nfs/dbraw/zinc/13/10/70/823131070.db2.gz APXXAGOERASONC-HNNXBMFYSA-N 1 0 394.359 4.425 20 0 GIADRO C[C@H]1C[C@@H](NC(=O)Cc2coc(-c3cccs3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000176135210 823132499 /nfs/dbraw/zinc/13/24/99/823132499.db2.gz WLVIPOCRVGLAMF-WMZOPIPTSA-N 1 0 395.528 4.115 20 0 GIADRO 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 823132577 /nfs/dbraw/zinc/13/25/77/823132577.db2.gz GQAWQWSKAFUSQC-DJABAAGCSA-N 1 0 377.960 4.490 20 0 GIADRO CCC[C@H]([NH2+]C1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccsc1 ZINC000187786023 823132685 /nfs/dbraw/zinc/13/26/85/823132685.db2.gz IOGHTHPQHXLJGT-FQEVSTJZSA-N 1 0 392.590 4.173 20 0 GIADRO Fc1ccc([C@H]([NH2+]CCc2ccc(OC(F)(F)F)cc2)c2ncc[nH]2)cc1 ZINC000187786084 823132945 /nfs/dbraw/zinc/13/29/45/823132945.db2.gz FLUNNPMMRDFOBR-KRWDZBQOSA-N 1 0 379.357 4.369 20 0 GIADRO CC(C)Oc1ccc(C[NH+]2CCC(C(=O)N[C@H](C)C(C)C)CC2)cc1Cl ZINC000187792272 823134185 /nfs/dbraw/zinc/13/41/85/823134185.db2.gz NKXYSIUDPBJZFI-MRXNPFEDSA-N 1 0 380.960 4.500 20 0 GIADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc2ccccc2n1Cc1ccccc1F ZINC000121188899 823135011 /nfs/dbraw/zinc/13/50/11/823135011.db2.gz PDKWCDAFTLQPNB-UTKZUKDTSA-N 1 0 393.506 4.241 20 0 GIADRO CCS(=O)(=O)c1ccc(C[NH2+]C[C@H](C)c2ccc(C(F)(F)F)cc2)s1 ZINC000571126121 823136745 /nfs/dbraw/zinc/13/67/45/823136745.db2.gz QWCNMQDZQMAECG-LBPRGKRZSA-N 1 0 391.480 4.454 20 0 GIADRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(-n3ccnc3C)nc1)CCCS2 ZINC000187803817 823137022 /nfs/dbraw/zinc/13/70/22/823137022.db2.gz VQGXDZYSERNHIB-IBGZPJMESA-N 1 0 380.517 4.301 20 0 GIADRO C[N@H+](CCCCNC(=O)N(CCc1ccccc1F)C1CCCC1)C1CC1 ZINC000459171740 823137778 /nfs/dbraw/zinc/13/77/78/823137778.db2.gz XVKHKVAGKHXEOH-UHFFFAOYSA-N 1 0 375.532 4.197 20 0 GIADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccc(C)c(NC(=O)c2ccccc2F)c1 ZINC000571131875 823138037 /nfs/dbraw/zinc/13/80/37/823138037.db2.gz NIGOFOAVRYHHMI-QGZVFWFLSA-N 1 0 399.510 4.237 20 0 GIADRO Cc1ccc([C@H]2C[C@H](C)N(C(=O)C3CCN(c4cc[nH+]cc4C)CC3)C2)cc1 ZINC000571140474 823140056 /nfs/dbraw/zinc/14/00/56/823140056.db2.gz USOWRMCYINYIKF-UGKGYDQZSA-N 1 0 377.532 4.319 20 0 GIADRO CCOc1c(OC)cc(C[N@H+](C)Cc2ccccc2N2CCCC2)cc1OC ZINC000121241685 823145646 /nfs/dbraw/zinc/14/56/46/823145646.db2.gz ZUKKPZQWAPDDLW-UHFFFAOYSA-N 1 0 384.520 4.335 20 0 GIADRO C[C@@H](NC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)c1ncc(-c2ccccc2)o1 ZINC000121221737 823141523 /nfs/dbraw/zinc/14/15/23/823141523.db2.gz RNOWYOQQNQNCDW-MJGOQNOKSA-N 1 0 382.508 4.063 20 0 GIADRO Cc1oc(-c2ccccc2)c(C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)c1C ZINC000187828684 823141639 /nfs/dbraw/zinc/14/16/39/823141639.db2.gz LOQNOEZZDZGSAS-UHFFFAOYSA-N 1 0 396.531 4.280 20 0 GIADRO C[C@H](CC(=O)N1CC[C@H](Oc2ccncc2)C1)c1ccc(C(F)(F)F)cc1 ZINC000121241429 823145788 /nfs/dbraw/zinc/14/57/88/823145788.db2.gz DTCIYVKAERFSAA-KDOFPFPSSA-N 1 0 378.394 4.274 20 0 GIADRO CC[N@H+](CCc1nccs1)[C@@H](C)C(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000121227472 823142509 /nfs/dbraw/zinc/14/25/09/823142509.db2.gz FJPYNCNYGNLTJJ-IRXDYDNUSA-N 1 0 381.545 4.427 20 0 GIADRO CC(=O)c1ccc(NC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000121228481 823142804 /nfs/dbraw/zinc/14/28/04/823142804.db2.gz ZMEYEDRKNIWVDS-VGSWGCGISA-N 1 0 379.504 4.406 20 0 GIADRO O=C(NCc1ccc2c[nH+]cn2c1)N1CCC(F)(c2cccc(Cl)c2)CC1 ZINC000459201450 823143149 /nfs/dbraw/zinc/14/31/49/823143149.db2.gz RGOVNPSMGSBPHU-UHFFFAOYSA-N 1 0 386.858 4.158 20 0 GIADRO C[C@H]([NH2+]C1CC1)C(=O)Nc1cccc(NC(=O)Nc2cccc3c2CCCC3)c1 ZINC000571165860 823143214 /nfs/dbraw/zinc/14/32/14/823143214.db2.gz PMHQAFMGDWJYGW-HNNXBMFYSA-N 1 0 392.503 4.288 20 0 GIADRO COc1ccc([C@@H](NC(=O)N2CCC([NH+]3CCCCC3)CC2)c2ccco2)cc1 ZINC000459203332 823143719 /nfs/dbraw/zinc/14/37/19/823143719.db2.gz IZEIMCIPBRPXDN-JOCHJYFZSA-N 1 0 397.519 4.038 20 0 GIADRO COc1cc(C[N@H+](C)[C@H](C)CO)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000571172194 823143802 /nfs/dbraw/zinc/14/38/02/823143802.db2.gz PYXXHTVYFHJCGG-CQSZACIVSA-N 1 0 383.410 4.106 20 0 GIADRO O[C@@H](C[NH2+]Cc1cc(Br)ccc1OC(F)F)c1ccccc1F ZINC000121235568 823144234 /nfs/dbraw/zinc/14/42/34/823144234.db2.gz SKSAWJQVYDTQLQ-AWEZNQCLSA-N 1 0 390.199 4.013 20 0 GIADRO Cc1cc(Br)c(C[NH2+][C@@H]2CCC[C@@H](N3CCCC3=O)C2)cc1Cl ZINC000571179868 823144769 /nfs/dbraw/zinc/14/47/69/823144769.db2.gz XATHGMOHDXMLIL-HUUCEWRRSA-N 1 0 399.760 4.434 20 0 GIADRO CCN(Cc1ccc(OC)cc1)C(=O)NCc1cccc(C[NH+](CC)CC)c1 ZINC000056408934 823145484 /nfs/dbraw/zinc/14/54/84/823145484.db2.gz SAVSOGLMRXRENW-UHFFFAOYSA-N 1 0 383.536 4.269 20 0 GIADRO C/C=C/c1ccc(NC(=O)N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)cc1 ZINC000571192330 823146441 /nfs/dbraw/zinc/14/64/41/823146441.db2.gz UHTWPPHGUZNIOM-SHXHPMEISA-N 1 0 381.524 4.000 20 0 GIADRO C[C@H](CCCc1cccnc1)NC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000459221290 823146839 /nfs/dbraw/zinc/14/68/39/823146839.db2.gz SQQCHUDSNWPRHA-NHCUHLMSSA-N 1 0 394.563 4.099 20 0 GIADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl ZINC000121247769 823146936 /nfs/dbraw/zinc/14/69/36/823146936.db2.gz XDVNNPOEUSENMH-YUMQZZPRSA-N 1 0 385.122 4.107 20 0 GIADRO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000056421895 823147346 /nfs/dbraw/zinc/14/73/46/823147346.db2.gz DHYXEXKMWWVPSV-MRXNPFEDSA-N 1 0 386.927 4.102 20 0 GIADRO CC(C)C[C@@H](NC(=O)NC1CC[NH+](Cc2ccncc2)CC1)c1ccccc1 ZINC000056421833 823147370 /nfs/dbraw/zinc/14/73/70/823147370.db2.gz NBYBABFFJOWXAP-JOCHJYFZSA-N 1 0 380.536 4.133 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@@H]1C[C@H]1c1ccccc1F ZINC000459225771 823147953 /nfs/dbraw/zinc/14/79/53/823147953.db2.gz CYIGRAKYWXOWNN-RBBKRZOGSA-N 1 0 396.510 4.025 20 0 GIADRO C[C@@H](c1ccccc1F)N(C)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000056441124 823149400 /nfs/dbraw/zinc/14/94/00/823149400.db2.gz XKLDJJPSHDANBV-INIZCTEOSA-N 1 0 387.474 4.332 20 0 GIADRO CCCOc1ccc(CNC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000056441193 823149453 /nfs/dbraw/zinc/14/94/53/823149453.db2.gz JWRCNFFWGLSHEO-UHFFFAOYSA-N 1 0 399.510 4.078 20 0 GIADRO CC[C@H]([NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)c1cccc(F)c1 ZINC000187870424 823149894 /nfs/dbraw/zinc/14/98/94/823149894.db2.gz XRUOOGLGWVRAFB-YVHKJVDXSA-N 1 0 384.495 4.316 20 0 GIADRO CN(C)c1cc(Cl)cc(Cl)c1C[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000571216663 823149944 /nfs/dbraw/zinc/14/99/44/823149944.db2.gz MGMWDBJCGMTDQT-LBPRGKRZSA-N 1 0 381.307 4.309 20 0 GIADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)NC1CCC(C(F)F)CC1 ZINC000459239661 823149987 /nfs/dbraw/zinc/14/99/87/823149987.db2.gz COXZIRXCXDOJCQ-UHFFFAOYSA-N 1 0 387.437 4.116 20 0 GIADRO C[N@@H+]1CCC[C@@H](CCNC(=O)N(Cc2ccc(F)cc2F)C2CCCC2)C1 ZINC000459258449 823152868 /nfs/dbraw/zinc/15/28/68/823152868.db2.gz JUKYQBUKFOBBBF-INIZCTEOSA-N 1 0 379.495 4.151 20 0 GIADRO O=C(Nc1cccc(-c2noc(C3CC3)n2)c1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000176222305 823156362 /nfs/dbraw/zinc/15/63/62/823156362.db2.gz SEMAKHQYCZQXBT-HXUWFJFHSA-N 1 0 388.471 4.217 20 0 GIADRO C[N@@H+]1CCC[C@@H](CCNC(=O)N(Cc2cccc(-c3cccnc3)c2)C2CC2)C1 ZINC000459267107 823154166 /nfs/dbraw/zinc/15/41/66/823154166.db2.gz QQULZYMTYXDHRP-IBGZPJMESA-N 1 0 392.547 4.155 20 0 GIADRO CC(=O)NC[C@H]1CCC[N@H+](C/C=C\c2ccc(OCc3ccccc3)cc2)C1 ZINC000459287690 823156541 /nfs/dbraw/zinc/15/65/41/823156541.db2.gz ZMJLKPLWXCNQRM-YNCGVASMSA-N 1 0 378.516 4.127 20 0 GIADRO C[N@@H+]1CCC[C@H](CCNC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)C1 ZINC000459275069 823155017 /nfs/dbraw/zinc/15/50/17/823155017.db2.gz ZZWIKKJLXLYKNI-OAHLLOKOSA-N 1 0 383.458 4.111 20 0 GIADRO Cc1cc(=NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[nH]n1C1CCCCC1 ZINC000571250354 823155578 /nfs/dbraw/zinc/15/55/78/823155578.db2.gz YZIMPQCQHNOWOD-UHFFFAOYSA-N 1 0 395.551 4.036 20 0 GIADRO CC(C)[N@@H+](Cc1cnc(C2CC2)nc1)C[C@H](O)COc1cccc2ccccc21 ZINC000459303696 823158526 /nfs/dbraw/zinc/15/85/26/823158526.db2.gz XYRABEYHNRKILW-NRFANRHFSA-N 1 0 391.515 4.158 20 0 GIADRO Cc1cccnc1[C@@H](NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)C(C)C ZINC000176232297 823158813 /nfs/dbraw/zinc/15/88/13/823158813.db2.gz IPJCUUGJAVEXDN-QFIPXVFZSA-N 1 0 394.563 4.393 20 0 GIADRO COc1ccccc1NC(=O)C[C@H](C)[NH2+]Cc1cc(Br)ccc1C ZINC000190699880 823599581 /nfs/dbraw/zinc/59/95/81/823599581.db2.gz LLIWPWMVABSDOB-AWEZNQCLSA-N 1 0 391.309 4.273 20 0 GIADRO CCC[C@@H](NC(=O)N1CC[C@H](C[N@H+](C)Cc2scnc2C)C1)C1CCCC1 ZINC000459314764 823159929 /nfs/dbraw/zinc/15/99/29/823159929.db2.gz KWASQBSHFYPCOK-IEBWSBKVSA-N 1 0 392.613 4.274 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc(F)c(Cl)c2)[C@@H]1c1cccs1 ZINC000176237867 823160512 /nfs/dbraw/zinc/16/05/12/823160512.db2.gz BOAKLUGBKLZXAP-RDTXWAMCSA-N 1 0 395.931 4.423 20 0 GIADRO CCOc1ccccc1Oc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cn1 ZINC000121310904 823160639 /nfs/dbraw/zinc/16/06/39/823160639.db2.gz NKAWUQLUTQZWLD-YHYVQYDKSA-N 1 0 380.488 4.320 20 0 GIADRO C[C@H]1CN(c2ccccc2C[N@H+]2CC=C(c3c[nH]c4ncccc34)CC2)CCO1 ZINC000459319566 823160785 /nfs/dbraw/zinc/16/07/85/823160785.db2.gz XBMMHCFYDAFGKE-SFHVURJKSA-N 1 0 388.515 4.077 20 0 GIADRO Cc1cc(Br)c2ccccc2c1NC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000571295779 823161732 /nfs/dbraw/zinc/16/17/32/823161732.db2.gz BVLIMADRUQOJBT-CYBMUJFWSA-N 1 0 376.298 4.113 20 0 GIADRO CC(=O)N(C)C1CC[NH+](C/C=C\c2ccc(OCc3ccccc3)cc2)CC1 ZINC000459327782 823162054 /nfs/dbraw/zinc/16/20/54/823162054.db2.gz PMPRSOXTRVMJDB-TWGQIWQCSA-N 1 0 378.516 4.222 20 0 GIADRO O=C1Nc2ccccc2C12CCC([NH2+]C1CCN(Cc3ccsc3)CC1)CC2 ZINC000121326605 823163886 /nfs/dbraw/zinc/16/38/86/823163886.db2.gz MIKUHERWKBJXJC-UHFFFAOYSA-N 1 0 395.572 4.135 20 0 GIADRO Cc1sc2nc([C@H](C)N3CC[C@H](Cc4ccc(F)cc4)C3)[nH]c(=O)c2c1C ZINC000121336286 823165490 /nfs/dbraw/zinc/16/54/90/823165490.db2.gz AHRUSGHKWLVRBD-XJKSGUPXSA-N 1 0 385.508 4.366 20 0 GIADRO C[C@@H](O)C[N@H+](C)C1CCN(C/C=C/c2ccc(OCc3ccccc3)cc2)CC1 ZINC000459341417 823165532 /nfs/dbraw/zinc/16/55/32/823165532.db2.gz WFDAXRYMRIACQZ-VHTFYLNKSA-N 1 0 394.559 4.056 20 0 GIADRO Clc1ccc([C@H](Cc2cccnc2)[NH2+]C[C@H]2CCCN2c2cccnn2)cc1 ZINC000571335323 823166817 /nfs/dbraw/zinc/16/68/17/823166817.db2.gz MVBKBHRTZAMYPK-RTWAWAEBSA-N 1 0 393.922 4.067 20 0 GIADRO Clc1ccc([C@H](Cc2cccnc2)[NH2+]C[C@@H]2CCCN2c2cccnn2)cc1 ZINC000571335324 823166867 /nfs/dbraw/zinc/16/68/67/823166867.db2.gz MVBKBHRTZAMYPK-SFTDATJTSA-N 1 0 393.922 4.067 20 0 GIADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N(C)Cc2ccoc2C)CC1 ZINC000056551589 823167289 /nfs/dbraw/zinc/16/72/89/823167289.db2.gz OTDYOMFQAHKCMJ-UHFFFAOYSA-N 1 0 390.915 4.047 20 0 GIADRO CO[C@H](C[NH2+]Cc1c(Cl)cccc1N1CCOCC1)c1ccc(Cl)cc1 ZINC000571347161 823168708 /nfs/dbraw/zinc/16/87/08/823168708.db2.gz JHZMTZVLIHOZFI-HXUWFJFHSA-N 1 0 395.330 4.307 20 0 GIADRO Fc1ccc([C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c2ncc[nH]2)cc1 ZINC000187995765 823168833 /nfs/dbraw/zinc/16/88/33/823168833.db2.gz SAABWGJBJIGQNT-GLCCWIKHSA-N 1 0 390.506 4.423 20 0 GIADRO CO[C@H](C)C(=O)Nc1cccc(N[C@@H]2CCC[N@H+](Cc3ccccc3)[C@@H]2C)c1 ZINC000571349591 823169161 /nfs/dbraw/zinc/16/91/61/823169161.db2.gz TZTBIJPQSUDJME-JBYIUTFZSA-N 1 0 381.520 4.125 20 0 GIADRO CN(C)c1c(Cl)cccc1NC(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000459353112 823169203 /nfs/dbraw/zinc/16/92/03/823169203.db2.gz ICQLNMSIFZSNFR-UHFFFAOYSA-N 1 0 380.945 4.063 20 0 GIADRO CO[C@H](C)c1nc(C)c(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)s1 ZINC000176274292 823169484 /nfs/dbraw/zinc/16/94/84/823169484.db2.gz IKWNQBJCTYPNOW-SJLPKXTDSA-N 1 0 387.549 4.034 20 0 GIADRO COC(=O)c1cccc(C[NH2+][C@H]2c3cccc(Br)c3CC2(C)C)n1 ZINC000571355106 823170240 /nfs/dbraw/zinc/17/02/40/823170240.db2.gz CEDQPRRWLCQMJI-KRWDZBQOSA-N 1 0 389.293 4.044 20 0 GIADRO CC[C@H]([NH2+]CC(=O)Nc1cc2c(cc1Cl)OCCCO2)c1ccc(C)cc1 ZINC000121364049 823170868 /nfs/dbraw/zinc/17/08/68/823170868.db2.gz OFBPRBNXCZNYPS-KRWDZBQOSA-N 1 0 388.895 4.489 20 0 GIADRO C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]C1CCN(c2ccccn2)CC1 ZINC000121363640 823170876 /nfs/dbraw/zinc/17/08/76/823170876.db2.gz ALRDGLALXNQCMM-MRXNPFEDSA-N 1 0 375.463 4.263 20 0 GIADRO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@@]1(CO)C[C@H]1c1ccccc1 ZINC000571368112 823172650 /nfs/dbraw/zinc/17/26/50/823172650.db2.gz PMQVHMQQICODLY-XZOQPEGZSA-N 1 0 395.934 4.398 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@@H]1c1ccccn1)c1cccc(OC)c1 ZINC000056582566 823174421 /nfs/dbraw/zinc/17/44/21/823174421.db2.gz KVXAUXOFNIHZKN-YADHBBJMSA-N 1 0 396.535 4.020 20 0 GIADRO CC(C)Oc1ccc(-c2nc(C(=O)N(C)CC3([NH+](C)C)CCC3)cs2)cc1 ZINC000188031355 823174495 /nfs/dbraw/zinc/17/44/95/823174495.db2.gz OFHVRMXIMMAQOR-UHFFFAOYSA-N 1 0 387.549 4.154 20 0 GIADRO CC(C)(C)CC[NH+]1CCN(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)CC1 ZINC000056587058 823174990 /nfs/dbraw/zinc/17/49/90/823174990.db2.gz PDQMPATUKCDUHB-UHFFFAOYSA-N 1 0 398.507 4.118 20 0 GIADRO CCC[NH+]1CCC(CNC(=O)N[C@H](C)c2ccc(-c3cccnc3)cc2)CC1 ZINC000176296299 823175504 /nfs/dbraw/zinc/17/55/04/823175504.db2.gz BCPZLFOKMXKPNW-GOSISDBHSA-N 1 0 380.536 4.231 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]Cc1ccccc1N1CCO[C@H](C)C1 ZINC000459374163 823175729 /nfs/dbraw/zinc/17/57/29/823175729.db2.gz JCNJFQYAQAKFHY-GOSISDBHSA-N 1 0 390.531 4.004 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCNCc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459375901 823176538 /nfs/dbraw/zinc/17/65/38/823176538.db2.gz KRFVDESCOLAKIE-IBGZPJMESA-N 1 0 381.568 4.414 20 0 GIADRO Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000571401072 823177728 /nfs/dbraw/zinc/17/77/28/823177728.db2.gz OKGYHKXTGRDKMV-RTBURBONSA-N 1 0 391.437 4.256 20 0 GIADRO Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000571401069 823177761 /nfs/dbraw/zinc/17/77/61/823177761.db2.gz OKGYHKXTGRDKMV-RBUKOAKNSA-N 1 0 391.437 4.256 20 0 GIADRO O=C(Nc1ccc(OC(F)(F)F)c(Cl)c1)NC1CC[NH+](C2CCC2)CC1 ZINC000571401964 823178110 /nfs/dbraw/zinc/17/81/10/823178110.db2.gz CCPJFJRSUFKISE-UHFFFAOYSA-N 1 0 391.821 4.377 20 0 GIADRO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000459383611 823178851 /nfs/dbraw/zinc/17/88/51/823178851.db2.gz XBROVFIWQAVPSY-QGZVFWFLSA-N 1 0 396.535 4.224 20 0 GIADRO CC(=O)Nc1ccc(C)c(C(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000188079628 823183059 /nfs/dbraw/zinc/18/30/59/823183059.db2.gz KBUBBQGEDMLANP-QGZVFWFLSA-N 1 0 393.531 4.115 20 0 GIADRO C[C@H](C[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1)N1CCCC[C@H]1C ZINC000459384226 823179123 /nfs/dbraw/zinc/17/91/23/823179123.db2.gz YVJBENAPPVHVSA-RTBURBONSA-N 1 0 381.568 4.413 20 0 GIADRO COc1ccccc1Oc1ccc(NC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000571413934 823179714 /nfs/dbraw/zinc/17/97/14/823179714.db2.gz OYGNUMFLZHMOAZ-ARFHVFGLSA-N 1 0 399.466 4.136 20 0 GIADRO C[C@H]1CN(C(=O)c2ccc(C[NH2+]Cc3ccc(C4CC4)cc3)cc2)C[C@H](C)O1 ZINC000459387934 823180214 /nfs/dbraw/zinc/18/02/14/823180214.db2.gz DILIFEOVKAWSAM-ROUUACIJSA-N 1 0 378.516 4.103 20 0 GIADRO CC(C)n1cnnc1-c1ccccc1NC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000176317899 823180844 /nfs/dbraw/zinc/18/08/44/823180844.db2.gz JEFQEGROGRMWDR-UHFFFAOYSA-N 1 0 396.539 4.008 20 0 GIADRO CCOc1cc(C[NH2+]C[C@@H]2CCN(c3cccc(OC)c3)C2)cc(Cl)c1O ZINC000459397832 823183323 /nfs/dbraw/zinc/18/33/23/823183323.db2.gz KHLGYAOGOBWGSO-HNNXBMFYSA-N 1 0 390.911 4.069 20 0 GIADRO Cc1cc(C)n(-c2ccc(C[NH2+]Cc3c(C)nc4scc(C5CC5)n34)cn2)n1 ZINC000459391257 823181109 /nfs/dbraw/zinc/18/11/09/823181109.db2.gz OKJSBXIWVVPDFN-UHFFFAOYSA-N 1 0 392.532 4.069 20 0 GIADRO CC(=O)Nc1ccc(C)c(NC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)c1 ZINC000056617649 823181820 /nfs/dbraw/zinc/18/18/20/823181820.db2.gz AODQVTZRPLZCTE-UHFFFAOYSA-N 1 0 386.540 4.073 20 0 GIADRO CC(C)Oc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccsc2)c(F)c1 ZINC000459394398 823182063 /nfs/dbraw/zinc/18/20/63/823182063.db2.gz SZDVBNXUMRUTIR-UHFFFAOYSA-N 1 0 379.501 4.270 20 0 GIADRO C[C@H]([NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000188082614 823183449 /nfs/dbraw/zinc/18/34/49/823183449.db2.gz ZCGPEFDZPZLRMM-KVSKMBFKSA-N 1 0 375.509 4.291 20 0 GIADRO CC(C)Cn1ncc(C(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)c1C(F)F ZINC000571438936 823182810 /nfs/dbraw/zinc/18/28/10/823182810.db2.gz GEBBKTSDSPDUPJ-KRWDZBQOSA-N 1 0 378.467 4.030 20 0 GIADRO Cc1ccccc1C1(C[NH2+]Cc2cccc(O)c2Br)CCOCC1 ZINC000459397115 823182958 /nfs/dbraw/zinc/18/29/58/823182958.db2.gz QZQRXSQQKGMTDQ-UHFFFAOYSA-N 1 0 390.321 4.301 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1C[NH2+]Cc1ccc(-n2ccnc2)c(F)c1 ZINC000459400031 823183956 /nfs/dbraw/zinc/18/39/56/823183956.db2.gz WANPSIVOGOSUNZ-UHFFFAOYSA-N 1 0 381.480 4.196 20 0 GIADRO CCOc1cc(C[NH2+][C@@H]2CCc3cc(F)ccc32)cc(Br)c1O ZINC000459401765 823184488 /nfs/dbraw/zinc/18/44/88/823184488.db2.gz XWOWAFSIKDAFHM-MRXNPFEDSA-N 1 0 380.257 4.470 20 0 GIADRO COc1ccc([C@H]([NH2+]CCc2cncn2C)c2ccc(C(F)(F)F)cc2)cc1 ZINC000459401969 823184984 /nfs/dbraw/zinc/18/49/84/823184984.db2.gz OAEPLTDFTIHLBP-HXUWFJFHSA-N 1 0 389.421 4.369 20 0 GIADRO COc1ccc(NC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)c(C(F)(F)F)c1 ZINC000056627866 823185098 /nfs/dbraw/zinc/18/50/98/823185098.db2.gz ATDJDVYPZMXZIO-OAHLLOKOSA-N 1 0 395.425 4.008 20 0 GIADRO CC(C)c1nccn1Cc1cccc(NC(=O)NC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000056629402 823185463 /nfs/dbraw/zinc/18/54/63/823185463.db2.gz NCQOYDPQZQLLRN-GOSISDBHSA-N 1 0 383.540 4.051 20 0 GIADRO CN1CC[C@H]([NH2+][C@@H](Cn2ccccc2=O)c2ccccc2)C[C@H]1c1ccccc1 ZINC000571466599 823187100 /nfs/dbraw/zinc/18/71/00/823187100.db2.gz BUINKQLJNWEWIH-HJOGWXRNSA-N 1 0 387.527 4.015 20 0 GIADRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CCn3cc(Cl)cn3)s2)cc1 ZINC000459411228 823187127 /nfs/dbraw/zinc/18/71/27/823187127.db2.gz UJYIFNXYTPYACW-GFCCVEGCSA-N 1 0 376.913 4.328 20 0 GIADRO c1c(C[NH2+]CCCCNc2ccccn2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459412935 823187431 /nfs/dbraw/zinc/18/74/31/823187431.db2.gz WQCUUHFUHCRWAH-UHFFFAOYSA-N 1 0 390.535 4.437 20 0 GIADRO Clc1cc(Br)cc(CN2CCSC3(CCOCC3)C2)c1 ZINC000459416494 823188065 /nfs/dbraw/zinc/18/80/65/823188065.db2.gz XZIXWADODFUUQF-UHFFFAOYSA-N 1 0 376.747 4.201 20 0 GIADRO O=c1cc(C[NH2+][C@H](c2cc(F)cc(Br)c2)C2CC2)nc(C2CC2)[nH]1 ZINC000459418254 823188280 /nfs/dbraw/zinc/18/82/80/823188280.db2.gz ZPLFXEUATBIULI-KRWDZBQOSA-N 1 0 392.272 4.202 20 0 GIADRO CCOc1cc(C[NH2+][C@H](COC)c2ccc(F)cc2)cc(Br)c1O ZINC000459422189 823189173 /nfs/dbraw/zinc/18/91/73/823189173.db2.gz NDSWJBUVLAGUTJ-MRXNPFEDSA-N 1 0 398.272 4.170 20 0 GIADRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(NC(N)=O)cc2)[C@H]1Sc1ccccc1 ZINC000459422533 823189185 /nfs/dbraw/zinc/18/91/85/823189185.db2.gz YLDHGAFPYQDCJS-NDSDBLNTSA-N 1 0 385.533 4.166 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(NC(N)=O)cc2)[C@H]1Sc1ccccc1 ZINC000459422540 823189223 /nfs/dbraw/zinc/18/92/23/823189223.db2.gz YLDHGAFPYQDCJS-ZVEHZALQSA-N 1 0 385.533 4.166 20 0 GIADRO COc1cc(C[NH2+][C@H](c2ccc(C)cc2)C2CCCCC2)ccc1OCC(N)=O ZINC000188156080 823195417 /nfs/dbraw/zinc/19/54/17/823195417.db2.gz UJXFPDDTSPYEFG-DEOSSOPVSA-N 1 0 396.531 4.279 20 0 GIADRO Cc1cc(F)c(CNCc2ccccc2C[NH+]2CCC(O)CC2)c(Cl)c1 ZINC000459425752 823189876 /nfs/dbraw/zinc/18/98/76/823189876.db2.gz LZBGCGFBIZUYSR-UHFFFAOYSA-N 1 0 376.903 4.034 20 0 GIADRO CCC1(CC)Oc2ccc(NC(=O)N3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cc2O1 ZINC000188127733 823190635 /nfs/dbraw/zinc/19/06/35/823190635.db2.gz NZYFVHFDAGENML-QFBILLFUSA-N 1 0 399.535 4.455 20 0 GIADRO CCOC(=O)c1noc(C[NH2+][C@@H]2CCCCC[C@@H]2c2ccc(Cl)cc2)n1 ZINC000459453827 823195528 /nfs/dbraw/zinc/19/55/28/823195528.db2.gz NFBRZXJXBIDEFS-HZPDHXFCSA-N 1 0 377.872 4.106 20 0 GIADRO C[C@@H](CN1CCCC1=O)[NH2+][C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC000188140446 823192680 /nfs/dbraw/zinc/19/26/80/823192680.db2.gz GRAUZSWIGAJNPU-YWZLYKJASA-N 1 0 387.321 4.139 20 0 GIADRO CCc1noc(CC)c1C[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459442399 823192663 /nfs/dbraw/zinc/19/26/63/823192663.db2.gz ZXIDCHYMCKZMKH-UHFFFAOYSA-N 1 0 379.508 4.463 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1CNc1ccc(OC2CC[NH+](C)CC2)nc1 ZINC000459444565 823193368 /nfs/dbraw/zinc/19/33/68/823193368.db2.gz CDMFPKPQNUIGPK-UHFFFAOYSA-N 1 0 397.548 4.062 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc([S@](C)=O)cc2)[C@H]1Sc1ccccc1 ZINC000459447625 823194188 /nfs/dbraw/zinc/19/41/88/823194188.db2.gz GNNVEWZFKQUCFI-VYNBVOBBSA-N 1 0 389.586 4.413 20 0 GIADRO c1c(C[NH2+]CCc2cnc(C3CC3)nc2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459448573 823194349 /nfs/dbraw/zinc/19/43/49/823194349.db2.gz IBRINYSBQBHCPA-UHFFFAOYSA-N 1 0 388.519 4.060 20 0 GIADRO Cc1ccc(F)c(C(=O)Nc2nc(C3CC[NH2+]CC3)cs2)c1Br ZINC000571514444 823194615 /nfs/dbraw/zinc/19/46/15/823194615.db2.gz HQVVCLKKSRFVTK-UHFFFAOYSA-N 1 0 398.301 4.072 20 0 GIADRO C[C@H](O)C[C@H](C[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1)c1ccccc1 ZINC000121502604 823195923 /nfs/dbraw/zinc/19/59/23/823195923.db2.gz TUZDFPZESXJUDO-ABSDTBQOSA-N 1 0 381.520 4.176 20 0 GIADRO Cc1ccc([C@H](OC[C@H](O)C[NH2+][C@@H](C)Cc2ccncc2)c2ccccc2)cc1 ZINC000571515969 823194880 /nfs/dbraw/zinc/19/48/80/823194880.db2.gz FEDQLDXCBAOGGN-BUUDZMLXSA-N 1 0 390.527 4.078 20 0 GIADRO c1c(C[NH2+]CCCNc2ccccn2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459459804 823196465 /nfs/dbraw/zinc/19/64/65/823196465.db2.gz IAFWAKCLTQXUDK-UHFFFAOYSA-N 1 0 376.508 4.047 20 0 GIADRO Cc1ccc(NC(=O)c2cccc(C(C)(C)C)c2)cc1NC(=O)CC[NH+](C)C ZINC000571533370 823196726 /nfs/dbraw/zinc/19/67/26/823196726.db2.gz PBSFKQDBYJVXPX-UHFFFAOYSA-N 1 0 381.520 4.435 20 0 GIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccccc2Oc2ccncc2)C1 ZINC000571532059 823196767 /nfs/dbraw/zinc/19/67/67/823196767.db2.gz PLWTUIMUDOUXPB-ICSRJNTNSA-N 1 0 387.483 4.439 20 0 GIADRO CCOc1cc(C[NH2+]C[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)ccc1O ZINC000459461141 823196895 /nfs/dbraw/zinc/19/68/95/823196895.db2.gz JUAXUQOOWAULRO-HRAATJIYSA-N 1 0 392.902 4.366 20 0 GIADRO C[C@@H]1C[C@H](CCNC(=O)Nc2ccc3c(c2)CCN3)C[N@@H+]1Cc1ccccc1 ZINC000571533635 823197141 /nfs/dbraw/zinc/19/71/41/823197141.db2.gz AJCFDCRZTZCQBX-MJGOQNOKSA-N 1 0 378.520 4.077 20 0 GIADRO CC(C)Oc1ccc([C@H](C)NC(=O)N(CC[NH+](C)C)Cc2cccs2)cc1 ZINC000176392918 823197495 /nfs/dbraw/zinc/19/74/95/823197495.db2.gz JNCOPIXCPHMCRY-KRWDZBQOSA-N 1 0 389.565 4.370 20 0 GIADRO Oc1cccc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)c1Br ZINC000459466042 823198138 /nfs/dbraw/zinc/19/81/38/823198138.db2.gz OOFVRYKADVFLFE-PBHICJAKSA-N 1 0 382.685 4.428 20 0 GIADRO COc1cc(Br)ccc1CCC[NH2+]Cc1cnc(C(C)(C)C)nc1 ZINC000571544830 823198686 /nfs/dbraw/zinc/19/86/86/823198686.db2.gz AEUWKXNDYWFDRW-UHFFFAOYSA-N 1 0 392.341 4.268 20 0 GIADRO CCC(=O)c1cccc(NC(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)c1 ZINC000121518436 823198823 /nfs/dbraw/zinc/19/88/23/823198823.db2.gz IWZHATQBOKVALJ-INIZCTEOSA-N 1 0 380.492 4.021 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1cc(F)c(OC)c(F)c1)c1ccsc1 ZINC000056717437 823198773 /nfs/dbraw/zinc/19/87/73/823198773.db2.gz OCXPWDDBEZRABT-INIZCTEOSA-N 1 0 383.464 4.240 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1cc(F)c(OC)c(F)c1 ZINC000056717983 823199016 /nfs/dbraw/zinc/19/90/16/823199016.db2.gz SBYZOYUUJWMBOR-UHFFFAOYSA-N 1 0 377.435 4.137 20 0 GIADRO C[C@H]1CN(c2ccccc2C[NH+]2CCC3(CC2)OCCc2ccsc23)CCO1 ZINC000459481074 823201296 /nfs/dbraw/zinc/20/12/96/823201296.db2.gz MQXVVWGQVQFEDN-SFHVURJKSA-N 1 0 398.572 4.037 20 0 GIADRO CC(C)Cn1ncc(NC(=O)N(CC[NH+](C)C)Cc2ccsc2)c1C(F)F ZINC000459472536 823199542 /nfs/dbraw/zinc/19/95/42/823199542.db2.gz XMHQVJGODHRKTL-UHFFFAOYSA-N 1 0 399.511 4.134 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+][C@H](c2nnc3ccccn32)C(C)C)[C@H]1Sc1ccccc1 ZINC000459475303 823200041 /nfs/dbraw/zinc/20/00/41/823200041.db2.gz ZQQXIBSGDHXZPT-IZZBFERCSA-N 1 0 396.560 4.354 20 0 GIADRO CCC[C@H]([NH2+][C@@H]1C[C@@H](OCC)[C@@H]1Sc1ccccc1)c1nnc2ccccn21 ZINC000459475361 823200175 /nfs/dbraw/zinc/20/01/75/823200175.db2.gz ZUTRFASJNXDJLG-QEUVDIPISA-N 1 0 396.560 4.498 20 0 GIADRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1cccs1)c1ccc(OC(F)F)cc1 ZINC000176401658 823200264 /nfs/dbraw/zinc/20/02/64/823200264.db2.gz DFDNEDCETODNJM-CQSZACIVSA-N 1 0 397.491 4.184 20 0 GIADRO Cc1cccc2c(CCNC(=O)NC3CC[NH+](C4CCCCC4)CC3)c[nH]c21 ZINC000176401903 823200608 /nfs/dbraw/zinc/20/06/08/823200608.db2.gz NJJGZPKPCGFKBT-UHFFFAOYSA-N 1 0 382.552 4.115 20 0 GIADRO C[C@@H]([NH2+]CCSCCCO)c1ccc(Br)cc1C(F)(F)F ZINC000188189905 823200616 /nfs/dbraw/zinc/20/06/16/823200616.db2.gz KWEDVJOYOYILTN-SNVBAGLBSA-N 1 0 386.277 4.234 20 0 GIADRO C[C@H](NC(=O)c1ccccc1CC1CC[NH2+]CC1)c1ncc(-c2ccccc2)o1 ZINC000571563280 823200719 /nfs/dbraw/zinc/20/07/19/823200719.db2.gz WMQPIBRMAGQYPF-KRWDZBQOSA-N 1 0 389.499 4.375 20 0 GIADRO O[C@@H](CCc1ccccc1)C[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459478633 823200807 /nfs/dbraw/zinc/20/08/07/823200807.db2.gz JLPRGDJTAUAJTL-QFIPXVFZSA-N 1 0 390.531 4.144 20 0 GIADRO C[C@@H]1CN(c2ccccc2C[N@H+](C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)CCO1 ZINC000459482245 823201654 /nfs/dbraw/zinc/20/16/54/823201654.db2.gz LNULBVHDTJUIGZ-RVSNTGDXSA-N 1 0 398.522 4.403 20 0 GIADRO C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000571604689 823206920 /nfs/dbraw/zinc/20/69/20/823206920.db2.gz YGUSXWVTQJXKIH-FHJLPGHOSA-N 1 0 396.556 4.270 20 0 GIADRO COc1ccc(CN2CC[C@@H]([NH2+][C@@H](C)c3cc4ccccc4s3)C2=O)cc1 ZINC000188203040 823202776 /nfs/dbraw/zinc/20/27/76/823202776.db2.gz ITBYLIWGYFVHLH-HNAYVOBHSA-N 1 0 380.513 4.362 20 0 GIADRO C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@@H](CO)Cc1c[nH]c2ccccc12 ZINC000188206414 823203051 /nfs/dbraw/zinc/20/30/51/823203051.db2.gz JHDNCSZDKOHKML-KBXCAEBGSA-N 1 0 387.321 4.055 20 0 GIADRO COc1ccc(-c2ccccc2C)cc1C[NH2+][C@@H]1CCO[C@H](c2cncn2C)C1 ZINC000459489067 823203283 /nfs/dbraw/zinc/20/32/83/823203283.db2.gz PWAFEZVDWKELLH-YKSBVNFPSA-N 1 0 391.515 4.414 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2cc(-c3ccc(C)cc3)no2)C1)CC(F)(F)F ZINC000176415221 823203681 /nfs/dbraw/zinc/20/36/81/823203681.db2.gz BTUGXBVVDVXBHS-MRXNPFEDSA-N 1 0 381.442 4.356 20 0 GIADRO C[C@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1)c1cccc(CO)c1 ZINC000121552895 823204595 /nfs/dbraw/zinc/20/45/95/823204595.db2.gz GRQJOQSKFBZPTD-SFHVURJKSA-N 1 0 384.483 4.277 20 0 GIADRO Cc1cnc([C@@H](C)NC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)s1 ZINC000176421989 823204733 /nfs/dbraw/zinc/20/47/33/823204733.db2.gz XDLNLGRWGVVNCG-DOTOQJQBSA-N 1 0 386.565 4.386 20 0 GIADRO Cc1cnc([C@@H](C)NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)s1 ZINC000176421948 823204795 /nfs/dbraw/zinc/20/47/95/823204795.db2.gz OKCBANYELDOBAE-DOTOQJQBSA-N 1 0 386.565 4.244 20 0 GIADRO C[C@H](c1ccccn1)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000459500636 823205335 /nfs/dbraw/zinc/20/53/35/823205335.db2.gz DPNPUECAMHMOLL-GOSISDBHSA-N 1 0 384.955 4.083 20 0 GIADRO CC[C@@]1(C)Oc2ccc(NC(=O)N(CC[NH+](C)C)Cc3ccsc3)cc2O1 ZINC000459502647 823205799 /nfs/dbraw/zinc/20/57/99/823205799.db2.gz KAPWUHVNILARBO-FQEVSTJZSA-N 1 0 389.521 4.241 20 0 GIADRO Cc1cc(CNC(=O)Nc2ccccc2CC[NH+](C)C)ccc1Br ZINC000459502566 823205848 /nfs/dbraw/zinc/20/58/48/823205848.db2.gz DILKAADPRMQJGM-UHFFFAOYSA-N 1 0 390.325 4.183 20 0 GIADRO O=C(CC[NH+]1CCC(c2ncc3n2CCCC3)CC1)Nc1ccc(Cl)cc1 ZINC000571601701 823206046 /nfs/dbraw/zinc/20/60/46/823206046.db2.gz FFXJEMFVZZIFCN-UHFFFAOYSA-N 1 0 386.927 4.081 20 0 GIADRO CC[C@H]([NH2+]Cc1ccc(OC(C)C)c(Cl)c1)c1cccc(S(N)(=O)=O)c1 ZINC000188225005 823206168 /nfs/dbraw/zinc/20/61/68/823206168.db2.gz RPTQPNQMAMYOHZ-SFHVURJKSA-N 1 0 396.940 4.016 20 0 GIADRO OCC1(C[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)CC2(CCC2)C1 ZINC000459509840 823207703 /nfs/dbraw/zinc/20/77/03/823207703.db2.gz VWBPNPAAVVUJTD-UHFFFAOYSA-N 1 0 380.536 4.093 20 0 GIADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C/C=C\c1ccc(OCc2ccccc2)cc1 ZINC000459509724 823207733 /nfs/dbraw/zinc/20/77/33/823207733.db2.gz LFYRSUXXHGMVCD-PWYGHMFVSA-N 1 0 394.559 4.056 20 0 GIADRO Oc1cccc(C[NH2+]C[C@H]2CCCN(c3ccccc3)C2)c1Br ZINC000459511942 823208035 /nfs/dbraw/zinc/20/80/35/823208035.db2.gz YSWUULGEZZASHC-OAHLLOKOSA-N 1 0 375.310 4.161 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N1CCN(c2ccccc2)CC1 ZINC000056764217 823208989 /nfs/dbraw/zinc/20/89/89/823208989.db2.gz VNYDHBIHNMEGNW-UHFFFAOYSA-N 1 0 392.547 4.069 20 0 GIADRO FC(F)Oc1cc(C[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)ccn1 ZINC000459516982 823209250 /nfs/dbraw/zinc/20/92/50/823209250.db2.gz FBVWOEGUKYMKBJ-UHFFFAOYSA-N 1 0 399.445 4.346 20 0 GIADRO COc1ccccc1[C@@H](C[NH2+]Cc1ccccc1N1CCO[C@@H](C)C1)OC(C)C ZINC000459518186 823209796 /nfs/dbraw/zinc/20/97/96/823209796.db2.gz FFJOEVAGPGQOPR-YADARESESA-N 1 0 398.547 4.176 20 0 GIADRO CC(C)CNC(=O)c1cccc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCCC2)c1 ZINC000459520728 823210113 /nfs/dbraw/zinc/21/01/13/823210113.db2.gz DVYLKVGLYSLYNA-QHCPKHFHSA-N 1 0 394.559 4.456 20 0 GIADRO COCCc1ccc(OC[C@@H](O)C[N@H+](C)[C@@H](C)c2cc3ccccc3o2)cc1 ZINC000571623513 823210893 /nfs/dbraw/zinc/21/08/93/823210893.db2.gz BKYZZFINPNIGCJ-PXNSSMCTSA-N 1 0 383.488 4.054 20 0 GIADRO COc1ccccc1-c1csc([C@H]2CCC[N@H+](CCCN3CCCC3=O)C2)n1 ZINC000571626569 823211241 /nfs/dbraw/zinc/21/12/41/823211241.db2.gz YYTOWZAEJFQIKA-KRWDZBQOSA-N 1 0 399.560 4.011 20 0 GIADRO Cc1sc2[nH]c(C[NH2+]C(C)(C)CN(C)C)nc(=O)c2c1-c1ccc(C)cc1 ZINC000459550029 823217864 /nfs/dbraw/zinc/21/78/64/823217864.db2.gz OKWSOQHQYYMBPQ-UHFFFAOYSA-N 1 0 384.549 4.111 20 0 GIADRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)Nc1ccc(-c2csnn2)cc1 ZINC000056786698 823213063 /nfs/dbraw/zinc/21/30/63/823213063.db2.gz WJORBWBXYFCVFQ-FQEVSTJZSA-N 1 0 393.516 4.164 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)c1 ZINC000121595482 823213225 /nfs/dbraw/zinc/21/32/25/823213225.db2.gz PUBJWUJQSJYICI-OAHLLOKOSA-N 1 0 399.922 4.254 20 0 GIADRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]CC1(N2CCCCC2)CCOCC1 ZINC000188278760 823213195 /nfs/dbraw/zinc/21/31/95/823213195.db2.gz QUVHVSDNIBMXPO-KRWDZBQOSA-N 1 0 395.385 4.005 20 0 GIADRO C[C@H](NC(=O)Nc1ccc(-c2nncs2)cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000459532366 823213293 /nfs/dbraw/zinc/21/32/93/823213293.db2.gz ISOZUVKVPNESMT-KBXCAEBGSA-N 1 0 381.505 4.018 20 0 GIADRO O=C(c1ccc2c[nH+]cn2c1)N1CCCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000571639410 823213292 /nfs/dbraw/zinc/21/32/92/823213292.db2.gz RSMSPAPOKBWJAE-GOSISDBHSA-N 1 0 379.851 4.231 20 0 GIADRO O=C(Nc1ccc(-c2csnn2)cc1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000056788216 823213609 /nfs/dbraw/zinc/21/36/09/823213609.db2.gz BMQVHDDRPCABJK-UHFFFAOYSA-N 1 0 399.564 4.325 20 0 GIADRO CCOc1ccccc1Oc1ccccc1C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000176467576 823214016 /nfs/dbraw/zinc/21/40/16/823214016.db2.gz LQIDZUNDOJXAOD-QZTJIDSGSA-N 1 0 382.504 4.432 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(C(C)(C)c3ccccc3)n2C2CC2)C1 ZINC000571648822 823214399 /nfs/dbraw/zinc/21/43/99/823214399.db2.gz JGHTZYAMFVHPJA-GOSISDBHSA-N 1 0 381.568 4.107 20 0 GIADRO C[C@@]1(C[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)CCO[C@H]1C1CC1 ZINC000459539336 823215291 /nfs/dbraw/zinc/21/52/91/823215291.db2.gz TUFDKLBKLXUCTB-GOTSBHOMSA-N 1 0 380.536 4.355 20 0 GIADRO C[NH+](C)CCC1CCN(C(=O)NCC(c2ccccc2)c2ccccc2)CC1 ZINC000056797947 823215324 /nfs/dbraw/zinc/21/53/24/823215324.db2.gz LAEXUHIAQVEESX-UHFFFAOYSA-N 1 0 379.548 4.192 20 0 GIADRO CC(C)Oc1ccc([C@@H](CNC(=O)c2ccnc3ccccc32)[NH+](C)C)cc1 ZINC000571668917 823216680 /nfs/dbraw/zinc/21/66/80/823216680.db2.gz YCJYISHIAIKHLW-JOCHJYFZSA-N 1 0 377.488 4.055 20 0 GIADRO Brc1ccc([C@H]([NH2+][C@H]2CCc3n[nH]cc3C2)c2ccccc2)cc1 ZINC000188308646 823217615 /nfs/dbraw/zinc/21/76/15/823217615.db2.gz QMGMXVZAWKFYJB-AZUAARDMSA-N 1 0 382.305 4.409 20 0 GIADRO CCOc1cc(C[N@H+](Cc2cccnc2)C(C)C)cc(Br)c1O ZINC000459549659 823217760 /nfs/dbraw/zinc/21/77/60/823217760.db2.gz FYVOJZHWEHOBPP-UHFFFAOYSA-N 1 0 379.298 4.359 20 0 GIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(-c3nncs3)cc2)C1 ZINC000459548962 823217812 /nfs/dbraw/zinc/21/78/12/823217812.db2.gz ZOCINOQXCVWGIH-HNAYVOBHSA-N 1 0 393.516 4.162 20 0 GIADRO CC(C)c1csc(NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000571690940 823219459 /nfs/dbraw/zinc/21/94/59/823219459.db2.gz PTJURCLIJFAWTD-ZWKOTPCHSA-N 1 0 384.549 4.252 20 0 GIADRO CCOc1ccc([C@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)cc1 ZINC000056827707 823219762 /nfs/dbraw/zinc/21/97/62/823219762.db2.gz RHPQBITYLRAFLD-KRWDZBQOSA-N 1 0 387.499 4.059 20 0 GIADRO COCC1(C[NH2+]C/C=C\c2ccc(OCc3ccccc3)cc2)CCOCC1 ZINC000459557486 823220179 /nfs/dbraw/zinc/22/01/79/823220179.db2.gz LTJFGDDZNXWIFW-YVMONPNESA-N 1 0 381.516 4.312 20 0 GIADRO C[C@@H](C(=O)NCc1cccs1)[NH+]1CCC(c2ccnc3ccccc32)CC1 ZINC000571697205 823220414 /nfs/dbraw/zinc/22/04/14/823220414.db2.gz COOBCNKEBSCARI-INIZCTEOSA-N 1 0 379.529 4.181 20 0 GIADRO C[C@@]1(c2ccccc2)CC[C@@H](Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)C1 ZINC000188331389 823220495 /nfs/dbraw/zinc/22/04/95/823220495.db2.gz BPERCSILPAUCKZ-ILBGXUMGSA-N 1 0 391.559 4.306 20 0 GIADRO C[C@]1(c2ccccc2)CC[C@H](Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)C1 ZINC000188331316 823220633 /nfs/dbraw/zinc/22/06/33/823220633.db2.gz BPERCSILPAUCKZ-ZCYQVOJMSA-N 1 0 391.559 4.306 20 0 GIADRO CCOc1cc(C[NH2+][C@@H]2c3ccccc3O[C@@H]2C)cc(Br)c1O ZINC000459562195 823220714 /nfs/dbraw/zinc/22/07/14/823220714.db2.gz ATWSAEXGQIZTKS-DIFFPNOSSA-N 1 0 378.266 4.165 20 0 GIADRO CCO[C@H](C)c1nc(CN2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cs1 ZINC000409446610 823220900 /nfs/dbraw/zinc/22/09/00/823220900.db2.gz IJVURDMVCRPVIN-MISYRCLQSA-N 1 0 385.577 4.195 20 0 GIADRO C[C@H]1CN(c2ccccc2C[NH2+]Cc2ccncc2OCCC(C)(C)C)CCO1 ZINC000459573431 823223139 /nfs/dbraw/zinc/22/31/39/823223139.db2.gz WMBLJTHQOVNJSK-IBGZPJMESA-N 1 0 397.563 4.412 20 0 GIADRO CCCC(=O)N1CCC[C@@H](C(=O)Nc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)C1 ZINC000056847992 823223096 /nfs/dbraw/zinc/22/30/96/823223096.db2.gz DIZPIAUHYIEGJV-AZUAARDMSA-N 1 0 385.552 4.038 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1C[NH2+][C@@H](CCO)c1ccc(Cl)cc1 ZINC000459565926 823221677 /nfs/dbraw/zinc/22/16/77/823221677.db2.gz UBCWUDQEABNVJO-INIZCTEOSA-N 1 0 375.925 4.448 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@H]2CCc3cc(F)ccc32)CC1 ZINC000056840062 823221695 /nfs/dbraw/zinc/22/16/95/823221695.db2.gz BTKCRAJXXNXCCC-QFIPXVFZSA-N 1 0 381.495 4.085 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)CCCc3ccc(F)cc3)C2)s1 ZINC000571701031 823221744 /nfs/dbraw/zinc/22/17/44/823221744.db2.gz RERWMTAHSUDBFF-IBGZPJMESA-N 1 0 388.552 4.499 20 0 GIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cc(Cl)cc3cccnc32)C1 ZINC000409454678 823222493 /nfs/dbraw/zinc/22/24/93/823222493.db2.gz SYDCFOGOAXNCLW-HNAYVOBHSA-N 1 0 379.891 4.454 20 0 GIADRO Cc1nc2c(s1)[C@@H](N(C)C(=O)NC1CC[NH+](C3CCCCC3)CC1)CCC2 ZINC000176502580 823222828 /nfs/dbraw/zinc/22/28/28/823222828.db2.gz NLEKXKAPTJONLV-IBGZPJMESA-N 1 0 390.597 4.267 20 0 GIADRO OC[C@@]1(Cc2ccc(F)cc2)CC[N@H+](Cc2cccc(-c3cccnc3)c2)C1 ZINC000571689463 823219278 /nfs/dbraw/zinc/21/92/78/823219278.db2.gz SXKWEGLCBQSTJW-XMMPIXPASA-N 1 0 376.475 4.315 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)[C@H]2CCc3[nH]nc(C(F)(F)F)c3C2)cc1 ZINC000188349466 823223893 /nfs/dbraw/zinc/22/38/93/823223893.db2.gz FAJOCWIHFFPLPC-AWEZNQCLSA-N 1 0 394.441 4.014 20 0 GIADRO C[C@@H](NC(=O)N1CCC([NH+]2CCCCC2)CC1)c1ccccc1C(F)(F)F ZINC000056853532 823224049 /nfs/dbraw/zinc/22/40/49/823224049.db2.gz JKAYUNLBAYSXNG-OAHLLOKOSA-N 1 0 383.458 4.426 20 0 GIADRO C[C@H](NC(=O)NCc1cccc(C[NH+](C)C)c1)c1ccccc1C(F)(F)F ZINC000056853841 823224347 /nfs/dbraw/zinc/22/43/47/823224347.db2.gz AZCOWGGMQFCYLQ-AWEZNQCLSA-N 1 0 379.426 4.327 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000409462140 823225067 /nfs/dbraw/zinc/22/50/67/823225067.db2.gz CLIAHPAGCCBDPJ-MJEZEWASSA-N 1 0 396.934 4.041 20 0 GIADRO COc1ccc(C(=O)CCN2CCC[C@@H]2c2ccc(Br)cn2)cc1 ZINC000459584048 823225528 /nfs/dbraw/zinc/22/55/28/823225528.db2.gz AOBZGBYOZANJRU-GOSISDBHSA-N 1 0 389.293 4.263 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)c2cnn(-c3ccccc3)c2COC)cc1 ZINC000188363639 823226235 /nfs/dbraw/zinc/22/62/35/823226235.db2.gz ZRVNYYQZNMXVEW-UHFFFAOYSA-N 1 0 392.503 4.113 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(OCC2CC2)c(F)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000121673254 823227327 /nfs/dbraw/zinc/22/73/27/823227327.db2.gz ZNGCYNGPQCGWKE-CABCVRRESA-N 1 0 391.508 4.430 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)NCc2ccnc(Oc3ccccc3)c2)CC1 ZINC000056848329 823223366 /nfs/dbraw/zinc/22/33/66/823223366.db2.gz ANVRWRAGCOPNKZ-UHFFFAOYSA-N 1 0 396.535 4.136 20 0 GIADRO Cc1ncc(C[N@H+]2CCC=C(c3cn(C(C)C)nn3)CC2)n1-c1ccccc1 ZINC000571748415 823229144 /nfs/dbraw/zinc/22/91/44/823229144.db2.gz OTXSHLFXHJSPAP-UHFFFAOYSA-N 1 0 376.508 4.033 20 0 GIADRO CC[S@](=O)c1ccccc1C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000121698083 823232760 /nfs/dbraw/zinc/23/27/60/823232760.db2.gz SXPKNTDIDHNSQB-XDBZFTIUSA-N 1 0 398.572 4.119 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)c2cccc(NC(=O)NC(C)C)c2)cc1 ZINC000188376141 823229317 /nfs/dbraw/zinc/22/93/17/823229317.db2.gz UYGODUNWHYTXGY-UHFFFAOYSA-N 1 0 382.508 4.311 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@H](C)c2ccc(-n3cncn3)cc2Cl)c1 ZINC000121681620 823229463 /nfs/dbraw/zinc/22/94/63/823229463.db2.gz MNUSMAKLDHQYMQ-ZIAGYGMSSA-N 1 0 383.883 4.291 20 0 GIADRO C[C@@H](NC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)c1ccc(OC(F)F)cc1 ZINC000056936944 823232863 /nfs/dbraw/zinc/23/28/63/823232863.db2.gz UVCKMHJIQISENN-FZKQIMNGSA-N 1 0 395.425 4.090 20 0 GIADRO Cc1ccccc1[C@@H](OC[C@@H](O)C[NH2+][C@@H](C)c1cncc(F)c1)c1ccccc1 ZINC000459618114 823230507 /nfs/dbraw/zinc/23/05/07/823230507.db2.gz BUPWJVHHFFILDK-OEOAZWSVSA-N 1 0 394.490 4.347 20 0 GIADRO O=C(Nc1ccc2c(c1)C[NH2+]CC2)N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000571772364 823232902 /nfs/dbraw/zinc/23/29/02/823232902.db2.gz PKKSEAVIEUGYOS-RHDGDCLCSA-N 1 0 389.421 4.419 20 0 GIADRO C[C@H](CCCc1cccnc1)[NH2+]CC(=O)N1CC[C@H](C)Sc2ccccc21 ZINC000459631089 823232973 /nfs/dbraw/zinc/23/29/73/823232973.db2.gz BDOPBGNBALYPDK-MSOLQXFVSA-N 1 0 383.561 4.300 20 0 GIADRO CC(C)Oc1ccc(CC[C@@H](C)NC(=O)N2CCC(CC[NH+](C)C)CC2)cc1 ZINC000056914159 823231556 /nfs/dbraw/zinc/23/15/56/823231556.db2.gz HVZBWJXQYDIASM-LJQANCHMSA-N 1 0 389.584 4.168 20 0 GIADRO CC(C)[C@H](NC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)c1nc2ccccc2[nH]1 ZINC000056936661 823232500 /nfs/dbraw/zinc/23/25/00/823232500.db2.gz ORMPQEWFCPTEFM-PMACEKPBSA-N 1 0 397.498 4.001 20 0 GIADRO CCN(C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)[C@@H](C)c1cccc(OC)c1 ZINC000056935853 823232635 /nfs/dbraw/zinc/23/26/35/823232635.db2.gz LNHMOKYJSAEIBZ-HRAATJIYSA-N 1 0 387.499 4.230 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)CCCc1cccnc1)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000459630507 823232679 /nfs/dbraw/zinc/23/26/79/823232679.db2.gz ANJASCCHYVVQBT-LSDHHAIUSA-N 1 0 377.435 4.011 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1oc(CC(C)C)nc1C)c1cccc(OC)c1 ZINC000188397293 823233682 /nfs/dbraw/zinc/23/36/82/823233682.db2.gz CKCJLBCISTZIEI-IBGZPJMESA-N 1 0 387.524 4.003 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)/C=C(/c2ccc(Cl)cc2)C(F)(F)F)C1 ZINC000121703921 823233815 /nfs/dbraw/zinc/23/38/15/823233815.db2.gz LYLVXFBIPQVIBQ-FMNVXAMXSA-N 1 0 388.861 4.476 20 0 GIADRO COC1CCN(C(C)(C)C[NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)CC1 ZINC000571783152 823233975 /nfs/dbraw/zinc/23/39/75/823233975.db2.gz QPCKENMQVYTWIV-UHFFFAOYSA-N 1 0 393.984 4.443 20 0 GIADRO CCN(C(=O)C[NH2+][C@@H](C)CCCc1cccnc1)c1nc2ccccc2s1 ZINC000459635712 823234500 /nfs/dbraw/zinc/23/45/00/823234500.db2.gz GPJHGPUSIFQYRJ-INIZCTEOSA-N 1 0 382.533 4.045 20 0 GIADRO C[C@H](CCCc1cccnc1)[NH2+]CC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000459639288 823235325 /nfs/dbraw/zinc/23/53/25/823235325.db2.gz KCQPEJDCPPXCRS-WZONZLPQSA-N 1 0 393.556 4.350 20 0 GIADRO OC[C@@]1(Cc2ccc(F)cc2)CC[N@H+](Cc2c(Cl)ccc3cccnc32)C1 ZINC000571795907 823235437 /nfs/dbraw/zinc/23/54/37/823235437.db2.gz BIOQFPCXQVPMGL-JOCHJYFZSA-N 1 0 384.882 4.454 20 0 GIADRO CC(C)N(C(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1)c1ccccc1 ZINC000459640469 823235473 /nfs/dbraw/zinc/23/54/73/823235473.db2.gz LEPSUJRHWULDJG-GOSISDBHSA-N 1 0 398.469 4.109 20 0 GIADRO C[C@@H]([NH2+]CCc1ccnn1C)c1ccc(Br)cc1C(F)(F)F ZINC000188409157 823235843 /nfs/dbraw/zinc/23/58/43/823235843.db2.gz MNFWWPMQQVARND-SNVBAGLBSA-N 1 0 376.220 4.095 20 0 GIADRO O=C(c1ccccc1CC1CC[NH2+]CC1)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000571802940 823236133 /nfs/dbraw/zinc/23/61/33/823236133.db2.gz PFCVHYUNYQDPDC-IBGZPJMESA-N 1 0 394.481 4.423 20 0 GIADRO C[C@H](CCCc1cccnc1)[NH2+][C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000459644628 823236710 /nfs/dbraw/zinc/23/67/10/823236710.db2.gz FNJXVSYICPOHRF-MSOLQXFVSA-N 1 0 387.955 4.473 20 0 GIADRO CC[NH+]1CCC(N(C)C(=O)c2cccc(OCc3cccc(Cl)c3)c2)CC1 ZINC000056973963 823236876 /nfs/dbraw/zinc/23/68/76/823236876.db2.gz VYFGNQBREPAACX-UHFFFAOYSA-N 1 0 386.923 4.475 20 0 GIADRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1csc(Br)c1 ZINC000121721067 823237104 /nfs/dbraw/zinc/23/71/04/823237104.db2.gz BRSHYPRMTPHWTH-ZBFHGGJFSA-N 1 0 391.334 4.267 20 0 GIADRO C[C@@H](CCCc1cccnc1)[NH2+]CC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000459647981 823238107 /nfs/dbraw/zinc/23/81/07/823238107.db2.gz UQZRNPZATRTPOV-INIZCTEOSA-N 1 0 380.517 4.145 20 0 GIADRO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@H](C)c1nc2c(s1)CCC2 ZINC000459647519 823238141 /nfs/dbraw/zinc/23/81/41/823238141.db2.gz KCGLPIFYDQMZBC-ZIAGYGMSSA-N 1 0 391.968 4.373 20 0 GIADRO C[C@H](CCCc1cccnc1)[NH2+][C@H](C)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000459648083 823238380 /nfs/dbraw/zinc/23/83/80/823238380.db2.gz UVYQPFANTGKIJZ-HZPDHXFCSA-N 1 0 391.918 4.222 20 0 GIADRO CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]CCN2CCc3ccccc3C2)cc1 ZINC000121727388 823238381 /nfs/dbraw/zinc/23/83/81/823238381.db2.gz UJKHUQYWDJNRDV-IBGZPJMESA-N 1 0 394.563 4.269 20 0 GIADRO COc1ccc(C[C@@H](C)C(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)cc1 ZINC000121728923 823238482 /nfs/dbraw/zinc/23/84/82/823238482.db2.gz XLVSLBUPPDBUNA-QGZVFWFLSA-N 1 0 398.572 4.370 20 0 GIADRO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@H](C)c1nc2c(s1)CCC2 ZINC000459657866 823242502 /nfs/dbraw/zinc/24/25/02/823242502.db2.gz XNVLGZVNPZKGRV-ZIAGYGMSSA-N 1 0 391.968 4.373 20 0 GIADRO C[C@H](CCCc1cccnc1)[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000459651548 823239498 /nfs/dbraw/zinc/23/94/98/823239498.db2.gz ZIRUVDUYRLLHMX-GDBMZVCRSA-N 1 0 383.319 4.129 20 0 GIADRO COC(=O)c1oc([C@@H](C)[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)cc1C ZINC000459653860 823240435 /nfs/dbraw/zinc/24/04/35/823240435.db2.gz DQHSTVQKDZIESB-UKRRQHHQSA-N 1 0 389.414 4.117 20 0 GIADRO COc1ccc2c(c1)CCC[C@@H]2CC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000057030365 823240995 /nfs/dbraw/zinc/24/09/95/823240995.db2.gz SNULBOBBJSPAOI-WIYYLYMNSA-N 1 0 382.504 4.052 20 0 GIADRO C[NH+]1CCC(NC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000057035066 823241631 /nfs/dbraw/zinc/24/16/31/823241631.db2.gz WJTCAGJGFMXYJV-IBGZPJMESA-N 1 0 392.330 4.476 20 0 GIADRO Cn1cc(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c(-c2ccccc2)n1 ZINC000459657477 823242106 /nfs/dbraw/zinc/24/21/06/823242106.db2.gz WYMUMJLNBNEHEY-SFHVURJKSA-N 1 0 393.453 4.268 20 0 GIADRO Cc1nc2cc(C(=O)NCC[N@@H+](C)C3CCCC3)ccc2n1Cc1ccsc1 ZINC000409528774 823242281 /nfs/dbraw/zinc/24/22/81/823242281.db2.gz JIPGMNFYIJVXJP-UHFFFAOYSA-N 1 0 396.560 4.059 20 0 GIADRO Cc1c2cccc(C)c2oc1C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000057055962 823244243 /nfs/dbraw/zinc/24/42/43/823244243.db2.gz YCZIXTUQSOTHGL-UHFFFAOYSA-N 1 0 377.488 4.049 20 0 GIADRO COc1ccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)cc1SC ZINC000459664272 823244828 /nfs/dbraw/zinc/24/48/28/823244828.db2.gz FSKBQJATNVCFIT-QAPCUYQASA-N 1 0 385.533 4.202 20 0 GIADRO CC[C@H](C)[NH2+][C@H](CNC(=O)Nc1cc(OC)c(Cl)c(OC)c1)c1ccco1 ZINC000459666388 823245702 /nfs/dbraw/zinc/24/57/02/823245702.db2.gz MNHBYJSZHKUMKM-GXTWGEPZSA-N 1 0 395.887 4.201 20 0 GIADRO COc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000459668455 823246447 /nfs/dbraw/zinc/24/64/47/823246447.db2.gz QHVWHSZJNPRDRA-PBFPGSCMSA-N 1 0 376.859 4.351 20 0 GIADRO Cc1cc(O)ccc1NC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000571855752 823246663 /nfs/dbraw/zinc/24/66/63/823246663.db2.gz XLAWKVSRWVEWBI-UHFFFAOYSA-N 1 0 389.883 4.471 20 0 GIADRO C[C@H](NC(=O)N1CCC(CC[NH+](C)C)CC1)c1ccc(-c2cccnc2)cc1 ZINC000176606510 823247175 /nfs/dbraw/zinc/24/71/75/823247175.db2.gz ZPVYWBUBFOSWOZ-SFHVURJKSA-N 1 0 380.536 4.183 20 0 GIADRO COc1ccc2c(c1)[C@@H]([NH2+]C1CCC(O)(c3cccnc3)CC1)CCCS2 ZINC000188481707 823248235 /nfs/dbraw/zinc/24/82/35/823248235.db2.gz NHMSZCXGANOPJG-DHHCDUQHSA-N 1 0 384.545 4.437 20 0 GIADRO CC[C@@H]1C[C@H]([NH2+]C[C@@H](O)CO[C@@H](c2ccccc2)c2ccc(C)cc2)CCO1 ZINC000571874710 823248641 /nfs/dbraw/zinc/24/86/41/823248641.db2.gz DQMGYWHCUGJKII-YCAMKHIRSA-N 1 0 383.532 4.009 20 0 GIADRO c1csc(-c2ncc(C[N@@H+]3CCC[C@@H](c4nnc5ccccn54)C3)s2)c1 ZINC000121778402 823248875 /nfs/dbraw/zinc/24/88/75/823248875.db2.gz CWQUTBGHBJPOFI-CQSZACIVSA-N 1 0 381.530 4.294 20 0 GIADRO COC1CCC([NH2+]Cc2ccc(OCc3cn4cccc(C)c4n3)cc2)CC1 ZINC000459678230 823248962 /nfs/dbraw/zinc/24/89/62/823248962.db2.gz MQSKYUDHHCMXBH-UHFFFAOYSA-N 1 0 379.504 4.269 20 0 GIADRO c1ccn2c(c1)nnc2[C@H]1CCC[N@@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000121782175 823249994 /nfs/dbraw/zinc/24/99/94/823249994.db2.gz MLLQXZLUSNMDCT-NRFANRHFSA-N 1 0 399.498 4.083 20 0 GIADRO CC(C)(C)OC(=O)c1ccc(C[NH2+][C@H]2c3sccc3OC(C)(C)[C@@H]2O)cc1 ZINC000459691142 823251251 /nfs/dbraw/zinc/25/12/51/823251251.db2.gz JCFBOGPETSGTCU-FUHWJXTLSA-N 1 0 389.517 4.066 20 0 GIADRO CC(C)c1csc(CNC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)n1 ZINC000121793644 823252674 /nfs/dbraw/zinc/25/26/74/823252674.db2.gz DEVBEMRGGXVZLN-UHFFFAOYSA-N 1 0 394.972 4.193 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)CSc3ccc(F)cc3)C2)s1 ZINC000571904887 823252135 /nfs/dbraw/zinc/25/21/35/823252135.db2.gz RNJVMZMVWNONOT-INIZCTEOSA-N 1 0 392.565 4.268 20 0 GIADRO C[C@H](C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)c1ccc(C(F)(F)F)cc1 ZINC000409573755 823252277 /nfs/dbraw/zinc/25/22/77/823252277.db2.gz GNNAXKOMWYUXLW-KXBFYZLASA-N 1 0 378.438 4.098 20 0 GIADRO C[C@@H](CNC(=O)N1CCC(c2nc3ccccc3s2)CC1)[NH+]1CCCCC1 ZINC000057165976 823257650 /nfs/dbraw/zinc/25/76/50/823257650.db2.gz SFLUMGPDRCZNRZ-INIZCTEOSA-N 1 0 386.565 4.060 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1ccc(SC(F)(F)F)cc1 ZINC000057166516 823257669 /nfs/dbraw/zinc/25/76/69/823257669.db2.gz HGQVIJNIAWHJBP-UHFFFAOYSA-N 1 0 395.450 4.088 20 0 GIADRO C[C@H](NC(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1)[C@@H]1CCCOC1 ZINC000571916888 823253567 /nfs/dbraw/zinc/25/35/67/823253567.db2.gz ATASGFUGTLOAHI-ZWKOTPCHSA-N 1 0 391.581 4.201 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC000188512554 823254091 /nfs/dbraw/zinc/25/40/91/823254091.db2.gz WFTSNSHPXYUJPA-CYBMUJFWSA-N 1 0 398.498 4.438 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC000188512578 823254209 /nfs/dbraw/zinc/25/42/09/823254209.db2.gz WFTSNSHPXYUJPA-ZDUSSCGKSA-N 1 0 398.498 4.438 20 0 GIADRO CC(C)n1cc(CN(CCC[NH+](C)C)Cc2ccc(Cl)c(Cl)c2)nn1 ZINC000571924584 823254871 /nfs/dbraw/zinc/25/48/71/823254871.db2.gz MEQNCTCMWPEWCM-UHFFFAOYSA-N 1 0 384.355 4.120 20 0 GIADRO CN(C(=O)c1ccc(NC/C=C/c2ccc(F)c(F)c2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000571923939 823255004 /nfs/dbraw/zinc/25/50/04/823255004.db2.gz HMURXWPJFNTDKK-HQMUEHRGSA-N 1 0 399.485 4.256 20 0 GIADRO CC(C)(C)CC(=O)N1CCC([NH2+]C[C@]2(C)CCCN2Cc2ccccc2)CC1 ZINC000121808086 823255264 /nfs/dbraw/zinc/25/52/64/823255264.db2.gz GQJQETVWYNWJDQ-DEOSSOPVSA-N 1 0 385.596 4.058 20 0 GIADRO CC(C)c1[nH+]c(CNc2ccc(NC(=O)[C@@H]3CCCO3)cc2)c2ccccn21 ZINC000571928291 823255585 /nfs/dbraw/zinc/25/55/85/823255585.db2.gz FAYFNFDDRQIINX-FQEVSTJZSA-N 1 0 378.476 4.187 20 0 GIADRO CC(C)Cn1c(-c2ccccc2F)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000571942587 823257984 /nfs/dbraw/zinc/25/79/84/823257984.db2.gz HOKLIWQBPHEJLD-GOSISDBHSA-N 1 0 385.531 4.052 20 0 GIADRO COC(=O)c1ccc(C[NH2+]CC2CCC(F)(F)CC2)c(Br)c1 ZINC000571945126 823258248 /nfs/dbraw/zinc/25/82/48/823258248.db2.gz BXEVNWMFQVKHGQ-UHFFFAOYSA-N 1 0 376.241 4.151 20 0 GIADRO CC[C@H](c1ccncc1)N(C)C(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000121828543 823258998 /nfs/dbraw/zinc/25/89/98/823258998.db2.gz VKIFNXIRFKTSSB-CNNODRBYSA-N 1 0 394.563 4.331 20 0 GIADRO COc1ccc([C@H](CO)C[NH2+]C/C(C)=C\c2ccccc2OC(F)F)cc1 ZINC000459742021 823259109 /nfs/dbraw/zinc/25/91/09/823259109.db2.gz KMNQRFNUAQFRIT-RXBGNRNISA-N 1 0 377.431 4.066 20 0 GIADRO COc1ccc([C@@H](CO)C[NH2+]C/C(C)=C/c2ccccc2OC(F)F)cc1 ZINC000459742015 823259297 /nfs/dbraw/zinc/25/92/97/823259297.db2.gz KMNQRFNUAQFRIT-HAZIXKIPSA-N 1 0 377.431 4.066 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)NC[C@@H]1CCCC(F)(F)C1 ZINC000409603707 823259427 /nfs/dbraw/zinc/25/94/27/823259427.db2.gz YHHLLRQTNONRNO-QGZVFWFLSA-N 1 0 397.510 4.032 20 0 GIADRO Cc1cccc2nc(C3CCN(C(=O)NC[C@H]4CCC[N@@H+](C(C)C)C4)CC3)oc21 ZINC000188538761 823259608 /nfs/dbraw/zinc/25/96/08/823259608.db2.gz BSEQVEYOGMEGKS-GOSISDBHSA-N 1 0 398.551 4.146 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1cccc(CO)c1 ZINC000121835916 823260213 /nfs/dbraw/zinc/26/02/13/823260213.db2.gz CSLOQNQXGMXQSD-FOIQADDNSA-N 1 0 378.438 4.123 20 0 GIADRO Clc1cccc(CC[NH2+][C@@H]2CCO[C@H]2c2cncc(Br)c2)c1 ZINC000459754031 823260629 /nfs/dbraw/zinc/26/06/29/823260629.db2.gz DPMXTEWKCFNBIV-SJORKVTESA-N 1 0 381.701 4.160 20 0 GIADRO CO[C@H]1C[C@H]([NH2+]Cc2ncc(-c3cccc(Br)c3)o2)C12CCC2 ZINC000459756705 823260963 /nfs/dbraw/zinc/26/09/63/823260963.db2.gz KFYIFJJATCDSLX-HOTGVXAUSA-N 1 0 377.282 4.151 20 0 GIADRO CCc1ccccc1N(C(C)=O)c1nc(CN[C@H]2C[C@@H](OC)C23CCC3)cs1 ZINC000459761927 823261538 /nfs/dbraw/zinc/26/15/38/823261538.db2.gz NHQNANOAUZWCLQ-VQTJNVASSA-N 1 0 399.560 4.437 20 0 GIADRO CCc1ccccc1N(C(C)=O)c1nc(CN[C@@H]2C[C@@H](OC)C23CCC3)cs1 ZINC000459761928 823261655 /nfs/dbraw/zinc/26/16/55/823261655.db2.gz NHQNANOAUZWCLQ-WOJBJXKFSA-N 1 0 399.560 4.437 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)C(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000459765096 823262250 /nfs/dbraw/zinc/26/22/50/823262250.db2.gz DCAZDTZGBRGPEX-WSTLGDPDSA-N 1 0 381.545 4.479 20 0 GIADRO O=C(C[NH2+]C1(C2CCC2)CCC1)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000459781164 823264204 /nfs/dbraw/zinc/26/42/04/823264204.db2.gz WFRRYUFYDIZURY-QGZVFWFLSA-N 1 0 383.517 4.331 20 0 GIADRO Cc1ccccc1[C@]1(F)CCN(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000409623187 823264302 /nfs/dbraw/zinc/26/43/02/823264302.db2.gz GZCNGRBJGKDOTO-URXFXBBRSA-N 1 0 395.522 4.097 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@H]2CCCC(F)(F)C2)CC1 ZINC000409626166 823265192 /nfs/dbraw/zinc/26/51/92/823265192.db2.gz QYQHKOXNCUWLFT-SJORKVTESA-N 1 0 379.495 4.337 20 0 GIADRO C[C@H](CCCOc1ccccc1C(N)=O)[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000121867115 823266348 /nfs/dbraw/zinc/26/63/48/823266348.db2.gz SXTHCYIFGWESDC-CQSZACIVSA-N 1 0 380.410 4.142 20 0 GIADRO Cc1cc(C(=O)[C@@H](C)[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)c(C)n1Cc1ccco1 ZINC000459810326 823266472 /nfs/dbraw/zinc/26/64/72/823266472.db2.gz TXSHDIVHGSGULL-YFXJRYMSSA-N 1 0 398.547 4.190 20 0 GIADRO CC(C)OCC[NH+]1CCC(NC(=O)C2(c3cccc(F)c3)CCCCC2)CC1 ZINC000176684750 823267108 /nfs/dbraw/zinc/26/71/08/823267108.db2.gz RAZTUQCLIGMXML-UHFFFAOYSA-N 1 0 390.543 4.033 20 0 GIADRO CC1(C)Cc2occc2[C@@H]([NH2+]C2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)C1 ZINC000572005550 823268257 /nfs/dbraw/zinc/26/82/57/823268257.db2.gz DWNHPCFLTVMNPZ-KRWDZBQOSA-N 1 0 375.900 4.169 20 0 GIADRO CC(C)OCC[NH+]1CCC(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)CC1 ZINC000176692649 823269339 /nfs/dbraw/zinc/26/93/39/823269339.db2.gz RVMNYSLDYNYADE-UHFFFAOYSA-N 1 0 392.971 4.157 20 0 GIADRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1scnc1C(C)C ZINC000459861035 823268663 /nfs/dbraw/zinc/26/86/63/823268663.db2.gz QVGACUBYQUJZMN-UHFFFAOYSA-N 1 0 385.537 4.210 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)CC[N@@H+]1C ZINC000572018698 823269586 /nfs/dbraw/zinc/26/95/86/823269586.db2.gz MRLIJNFTGCNPAV-TZMCWYRMSA-N 1 0 378.929 4.410 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1NC(C)=O ZINC000121881766 823269639 /nfs/dbraw/zinc/26/96/39/823269639.db2.gz ASKVYNCIUOFPJS-GJZGRUSLSA-N 1 0 395.503 4.414 20 0 GIADRO COc1cc([C@@H](C)NC(=O)c2ccccc2CC[NH3+])ccc1OC1CCCC1 ZINC000572052039 823274511 /nfs/dbraw/zinc/27/45/11/823274511.db2.gz CFWTUQNZLBYERR-MRXNPFEDSA-N 1 0 382.504 4.009 20 0 GIADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2scnc2C(C)C)CC1 ZINC000459891006 823270480 /nfs/dbraw/zinc/27/04/80/823270480.db2.gz PUQMWNYIIPWAFH-UHFFFAOYSA-N 1 0 392.956 4.314 20 0 GIADRO COc1cc([C@H](C)[NH2+]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)ccc1OC(F)F ZINC000188603849 823270934 /nfs/dbraw/zinc/27/09/34/823270934.db2.gz UGWMQFAETZSXDF-BNLOLNQZSA-N 1 0 397.384 4.431 20 0 GIADRO COc1cc(OC)c(OC)cc1C[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000572051336 823274579 /nfs/dbraw/zinc/27/45/79/823274579.db2.gz LUEBKBZXYYIZMC-GFCCVEGCSA-N 1 0 398.322 4.314 20 0 GIADRO C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)c3cnn([C@H]4CCC[NH2+]C4)c3)c2)C1 ZINC000572026470 823271183 /nfs/dbraw/zinc/27/11/83/823271183.db2.gz KFSJVYYFZBHTPE-WTNAPCKOSA-N 1 0 396.535 4.155 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)c2cc(-c3ccccc3)nc3onc(C)c32)CC1 ZINC000057255065 823271552 /nfs/dbraw/zinc/27/15/52/823271552.db2.gz DTDAFUAYEZRXFX-UHFFFAOYSA-N 1 0 392.503 4.145 20 0 GIADRO Cc1csc(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1Br ZINC000190884895 823619504 /nfs/dbraw/zinc/61/95/04/823619504.db2.gz UVRZTFCPWQPUAV-HNNXBMFYSA-N 1 0 393.350 4.213 20 0 GIADRO CC[C@H](OC1CCCCC1)C(=O)Nc1cccc(NC(=O)C[NH+](CC)CC)c1 ZINC000572033745 823271920 /nfs/dbraw/zinc/27/19/20/823271920.db2.gz FLIWRBDSLSIJOX-FQEVSTJZSA-N 1 0 389.540 4.033 20 0 GIADRO Cc1c2ccccc2oc1C(=O)Nc1cc(Cl)ccc1N1CC[NH+](C)CC1 ZINC000005200801 817560270 /nfs/dbraw/zinc/56/02/70/817560270.db2.gz OJVBKMLRKUQGCJ-UHFFFAOYSA-N 1 0 383.879 4.399 20 0 GIADRO O=C(CCC(F)(F)F)N1CCC[C@@H]([NH2+]Cc2ccccc2OC(F)(F)F)C1 ZINC000572037280 823272408 /nfs/dbraw/zinc/27/24/08/823272408.db2.gz BXCIPCLAWBDOQK-CYBMUJFWSA-N 1 0 398.347 4.008 20 0 GIADRO Cc1c2cc(Cl)ccc2oc1C(=O)NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000176704523 823272486 /nfs/dbraw/zinc/27/24/86/823272486.db2.gz VVAGGDBVEHRSFU-ZIAGYGMSSA-N 1 0 378.900 4.014 20 0 GIADRO OC[C@]1(Cc2ccc(F)cc2)CC[N@H+](Cc2cccc(Br)c2)C1 ZINC000572040092 823272990 /nfs/dbraw/zinc/27/29/90/823272990.db2.gz WZRWQEMUHBPADN-IBGZPJMESA-N 1 0 378.285 4.015 20 0 GIADRO CCCN(CC[NH+]1CCCCCC1)C(=O)c1cc(C2CC2)nc2onc(C)c21 ZINC000572077258 823278700 /nfs/dbraw/zinc/27/87/00/823278700.db2.gz IRZIIWLYVQWFBW-UHFFFAOYSA-N 1 0 384.524 4.137 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)[NH2+]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)cc1 ZINC000188626774 823275730 /nfs/dbraw/zinc/27/57/30/823275730.db2.gz HOKQSDXJHVNFSP-UCLAIMLFSA-N 1 0 381.442 4.315 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc(-n2cncn2)cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000121912335 823276010 /nfs/dbraw/zinc/27/60/10/823276010.db2.gz FDXVFQWTOQTINY-HZPDHXFCSA-N 1 0 375.476 4.028 20 0 GIADRO CCOc1cc(C[NH2+][C@@H]2CCC[C@@H](N3CCCC3=O)C2)ccc1OCC(C)C ZINC000572060368 823276239 /nfs/dbraw/zinc/27/62/39/823276239.db2.gz OUVUUTHZRKEOKW-WOJBJXKFSA-N 1 0 388.552 4.143 20 0 GIADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N(CCC(F)(F)F)Cc2ccccc2)C1 ZINC000188630487 823276393 /nfs/dbraw/zinc/27/63/93/823276393.db2.gz HXKWABSKPYHAKJ-SFHVURJKSA-N 1 0 385.474 4.271 20 0 GIADRO O=C(c1cccn1-c1c(Cl)cccc1Cl)N1CCC([NH+]2CCCC2)CC1 ZINC000409660853 823276722 /nfs/dbraw/zinc/27/67/22/823276722.db2.gz AAOSYSHQBUIYSD-UHFFFAOYSA-N 1 0 392.330 4.485 20 0 GIADRO C[C@H]1C[C@H](NC(=O)c2cc(F)c(Cl)nc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000176720714 823276817 /nfs/dbraw/zinc/27/68/17/823276817.db2.gz PWPUTPPQYNMOIV-GXTWGEPZSA-N 1 0 396.293 4.310 20 0 GIADRO C[C@H](Cc1ccccc1C(F)(F)F)[N@H+](C)CC(=O)N(C)Cc1cccs1 ZINC000572068633 823277354 /nfs/dbraw/zinc/27/73/54/823277354.db2.gz ISFWFCRAOICUDY-CQSZACIVSA-N 1 0 384.467 4.288 20 0 GIADRO C[C@H]1C[C@@H](NC(=O)c2ccc(Cl)nc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000176723099 823277437 /nfs/dbraw/zinc/27/74/37/823277437.db2.gz YQLBLVKGOKVHES-ZFWWWQNUSA-N 1 0 378.303 4.171 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)c2ccc(Cl)nc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000176723059 823277485 /nfs/dbraw/zinc/27/74/85/823277485.db2.gz YQLBLVKGOKVHES-UKRRQHHQSA-N 1 0 378.303 4.171 20 0 GIADRO CC(C)C(=O)Nc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000176723931 823277887 /nfs/dbraw/zinc/27/78/87/823277887.db2.gz MPEGZWIEQRVYNZ-PGRDOPGGSA-N 1 0 393.531 4.064 20 0 GIADRO C[C@H](C(=O)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21)[C@@H]1OCCc2sccc21 ZINC000460027313 823280804 /nfs/dbraw/zinc/28/08/04/823280804.db2.gz QAVNCCJTXDJEHT-XPIZARPCSA-N 1 0 382.529 4.009 20 0 GIADRO CC(C)C[C@H](CNC(=O)c1cnc2cnccc2c1)[NH2+][C@H](C)c1ccccc1 ZINC000409680235 823281301 /nfs/dbraw/zinc/28/13/01/823281301.db2.gz VRDBLYVBAUOJHG-DYESRHJHSA-N 1 0 376.504 4.125 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)C[C@H](c2ccccc2)C(F)(F)F)cc1F ZINC000121940558 823281426 /nfs/dbraw/zinc/28/14/26/823281426.db2.gz KOEBDTHKRUSLHS-QGZVFWFLSA-N 1 0 382.401 4.240 20 0 GIADRO COc1cc(C[NH2+]C[C@@H](c2ccccc2)C(F)(F)F)ccc1OC(=O)C1CC1 ZINC000188662647 823282109 /nfs/dbraw/zinc/28/21/09/823282109.db2.gz BWKSJYKDCOUEFX-KRWDZBQOSA-N 1 0 393.405 4.446 20 0 GIADRO O=C(NCc1ccc2c(c1)C[NH2+]C2)[C@@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000188684548 823285668 /nfs/dbraw/zinc/28/56/68/823285668.db2.gz XGANZJWGDGELFR-JWQCQUIFSA-N 1 0 398.506 4.289 20 0 GIADRO Cc1cc(C)n(-c2ccc(C[NH2+][C@H]3CCCOc4cc5c(cc43)CCC5)cn2)n1 ZINC000121951118 823283624 /nfs/dbraw/zinc/28/36/24/823283624.db2.gz VERVRUPIODKSSR-QFIPXVFZSA-N 1 0 388.515 4.376 20 0 GIADRO C[C@@H](c1cccc(Cl)c1)N(C)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000121954476 823284216 /nfs/dbraw/zinc/28/42/16/823284216.db2.gz AWFJHMKBECYVEB-INIZCTEOSA-N 1 0 389.927 4.183 20 0 GIADRO 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 823284605 /nfs/dbraw/zinc/28/46/05/823284605.db2.gz DNUAOCFLRIKDMJ-HRCADAONSA-N 1 0 377.495 4.259 20 0 GIADRO Cc1ccc([C@H](C)NC(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000460101142 823284676 /nfs/dbraw/zinc/28/46/76/823284676.db2.gz CJWUJUTXEMOBGB-WWPVKYPJSA-N 1 0 377.532 4.220 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cn2nc(C(F)(F)F)sc2=S)C1 ZINC000188677777 823284715 /nfs/dbraw/zinc/28/47/15/823284715.db2.gz VOVYGYPNZDURQL-CHWSQXEVSA-N 1 0 394.532 4.237 20 0 GIADRO CNC(=O)c1ccc(C[NH2+][C@@H](c2ccc(Br)cc2)C2CCC2)cc1 ZINC000121959860 823284995 /nfs/dbraw/zinc/28/49/95/823284995.db2.gz DRQDPAFRQKMKQF-LJQANCHMSA-N 1 0 387.321 4.440 20 0 GIADRO CC(C)c1c(C(=O)NCc2ccc3c(c2)C[NH2+]C3)cnn1-c1cccc(Cl)c1 ZINC000188686956 823286149 /nfs/dbraw/zinc/28/61/49/823286149.db2.gz WYDPXSKSPOOANL-UHFFFAOYSA-N 1 0 394.906 4.182 20 0 GIADRO CCC(CC)C(=O)N1CCC([NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000121970799 823286798 /nfs/dbraw/zinc/28/67/98/823286798.db2.gz GLTHHKWQMNAQSL-JOCHJYFZSA-N 1 0 384.564 4.406 20 0 GIADRO CSc1ccc(CNC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000460121295 823288544 /nfs/dbraw/zinc/28/85/44/823288544.db2.gz OCFWHOWPDPUPRG-LEWJYISDSA-N 1 0 395.572 4.072 20 0 GIADRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc3ccccc3n2)cc1 ZINC000007219210 817796223 /nfs/dbraw/zinc/79/62/23/817796223.db2.gz WAWNYAMJQSBJQE-QGZVFWFLSA-N 1 0 397.544 4.116 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)C1(COC)CCC1)c1ccc(C(F)(F)F)cc1 ZINC000572139986 823288936 /nfs/dbraw/zinc/28/89/36/823288936.db2.gz MJVRCSITMKBPSI-KRWDZBQOSA-N 1 0 386.458 4.021 20 0 GIADRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc(-c4ccc(OC(F)F)cc4)s3)C2)C1 ZINC000572141594 823289263 /nfs/dbraw/zinc/28/92/63/823289263.db2.gz QIWCEHNHHAYXJI-FQEVSTJZSA-N 1 0 392.471 4.184 20 0 GIADRO CC(C)[C@H](C)[N@@H+]1Cc2cccc(N[C@@H](C)C(=O)N3CCc4ccccc43)c2C1 ZINC000572141803 823289425 /nfs/dbraw/zinc/28/94/25/823289425.db2.gz BJEJKSYANBBWIS-ROUUACIJSA-N 1 0 377.532 4.436 20 0 GIADRO Oc1ccccc1N1CC[NH+](Cc2c(-c3ccccc3)nc3ccccn32)CC1 ZINC000007285464 817810774 /nfs/dbraw/zinc/81/07/74/817810774.db2.gz SRIJBOBFARFMMF-UHFFFAOYSA-N 1 0 384.483 4.029 20 0 GIADRO CCc1nc2ccccc2n1C1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC000460127367 823290364 /nfs/dbraw/zinc/29/03/64/823290364.db2.gz LZFIUIIKGNJQDQ-UHFFFAOYSA-N 1 0 396.579 4.274 20 0 GIADRO C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CC2(CCC2)[C@@H]1C1CCOCC1)c1ccccc1 ZINC000572150663 823290711 /nfs/dbraw/zinc/29/07/11/823290711.db2.gz AKFQSQKJTDSJRS-NQIIRXRSSA-N 1 0 399.579 4.107 20 0 GIADRO CC[C@H](C)C[C@H](CC)[NH2+]C1CCN(c2ccc(S(=O)(=O)CC)cc2)CC1 ZINC000122001859 823291222 /nfs/dbraw/zinc/29/12/22/823291222.db2.gz JUHCOZVTKASOJH-ROUUACIJSA-N 1 0 380.598 4.253 20 0 GIADRO COc1ccc(NC(=S)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000007402922 817831421 /nfs/dbraw/zinc/83/14/21/817831421.db2.gz XTJHAAZJLROZGW-UHFFFAOYSA-N 1 0 389.952 4.300 20 0 GIADRO CCN(C(=O)N[C@H](C1CC1)C(F)(F)F)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000572159945 823292036 /nfs/dbraw/zinc/29/20/36/823292036.db2.gz KEWGYKSUHMINER-BMGDILEWSA-N 1 0 383.458 4.194 20 0 GIADRO O=C(COc1ccc(Cl)cc1Cl)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000007406351 817832477 /nfs/dbraw/zinc/83/24/77/817832477.db2.gz QSGAIHDJAUHGTQ-MRXNPFEDSA-N 1 0 397.302 4.309 20 0 GIADRO CCCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(Br)cc1Br ZINC000057406160 823292047 /nfs/dbraw/zinc/29/20/47/823292047.db2.gz LWDMXJVVVDUGGR-SNVBAGLBSA-N 1 0 392.135 4.271 20 0 GIADRO O=C(CSCc1ccc(Cl)cc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000007454715 817845449 /nfs/dbraw/zinc/84/54/49/817845449.db2.gz URRNIWWDWHEMGD-UHFFFAOYSA-N 1 0 388.964 4.354 20 0 GIADRO Cc1ccc(-c2csc3ncnc(N4CCN(c5cc[nH+]cc5)CC4)c23)cc1 ZINC000007467817 817848696 /nfs/dbraw/zinc/84/86/96/817848696.db2.gz LTXUGQSEKUNARM-UHFFFAOYSA-N 1 0 387.512 4.388 20 0 GIADRO C[C@@H]([NH2+]Cc1c[nH]nc1-c1ccc(Cl)cc1)c1ccc2c(c1)CCC(=O)N2 ZINC000572166893 823293183 /nfs/dbraw/zinc/29/31/83/823293183.db2.gz LGTSVPBIDIIAHA-CYBMUJFWSA-N 1 0 380.879 4.466 20 0 GIADRO CCS(=O)(=O)c1ccc(N2CCC([NH2+][C@@H](C)CCCC(C)C)CC2)cc1 ZINC000122014698 823293504 /nfs/dbraw/zinc/29/35/04/823293504.db2.gz SEGGICXOXBKLMK-SFHVURJKSA-N 1 0 380.598 4.253 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(Br)o1)c1cc(Br)ccc1O ZINC000188731149 823294830 /nfs/dbraw/zinc/29/48/30/823294830.db2.gz NIIIVDBKWWWTOQ-MRVPVSSYSA-N 1 0 375.060 4.361 20 0 GIADRO C[C@H]([NH2+][C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)c1cccc(CO)c1 ZINC000122025474 823295055 /nfs/dbraw/zinc/29/50/55/823295055.db2.gz WAPCUBJYPWUUHD-SBUREZEXSA-N 1 0 395.524 4.023 20 0 GIADRO Cc1nn(-c2ccccc2)cc1NC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000572181463 823295647 /nfs/dbraw/zinc/29/56/47/823295647.db2.gz GHBSAOVPJUEZQO-FQEVSTJZSA-N 1 0 397.910 4.259 20 0 GIADRO CCS(=O)(=O)c1ccccc1N1CCC([NH2+][C@H](C)c2ccc(C)s2)CC1 ZINC000122030574 823295992 /nfs/dbraw/zinc/29/59/92/823295992.db2.gz HGXSNSZIXDPZLG-MRXNPFEDSA-N 1 0 392.590 4.170 20 0 GIADRO Cc1cccc(OCCCCC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000057432740 823296307 /nfs/dbraw/zinc/29/63/07/823296307.db2.gz YVRNVYPRHOLSNX-UHFFFAOYSA-N 1 0 398.522 4.464 20 0 GIADRO C[C@H](NC(=O)NCC1CCC(F)(F)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000409742772 823296845 /nfs/dbraw/zinc/29/68/45/823296845.db2.gz SPIKAUHXXJHHPG-LPHOPBHVSA-N 1 0 379.495 4.022 20 0 GIADRO COCC[N@H+](C)CC[C@@H](NC(=O)[C@@H](C)c1cccc(Cl)c1)c1ccccc1 ZINC000460150466 823297971 /nfs/dbraw/zinc/29/79/71/823297971.db2.gz MYDJYDMYGNFRNZ-LAUBAEHRSA-N 1 0 388.939 4.269 20 0 GIADRO Clc1cnn([C@H]2CCN(Cc3ccc(Br)c4cccnc34)C2)c1 ZINC000572207828 823300529 /nfs/dbraw/zinc/30/05/29/823300529.db2.gz OJXLTCDYSHSYIF-AWEZNQCLSA-N 1 0 391.700 4.294 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)Cc2ccc(Br)cc2)cc1 ZINC000007828503 817927249 /nfs/dbraw/zinc/92/72/49/817927249.db2.gz FTAPZVPJVPTYDU-UHFFFAOYSA-N 1 0 389.337 4.150 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCCC1)[C@@H]1COc2ccc(Cl)cc2C1 ZINC000007850393 817937223 /nfs/dbraw/zinc/93/72/23/817937223.db2.gz YTNBCQSVAWZIRI-FQEVSTJZSA-N 1 0 398.934 4.193 20 0 GIADRO CCCc1ccc([C@@H]([NH2+]CC(=O)Nc2ccc(C(=O)N(C)C)cc2)C(C)C)cc1 ZINC000007851758 817938303 /nfs/dbraw/zinc/93/83/03/817938303.db2.gz KAICVJQAWSCJNS-QHCPKHFHSA-N 1 0 395.547 4.266 20 0 GIADRO Cc1cc(NC(=O)NC2CC[NH+](CC(C)C)CC2)ccc1Oc1cccnc1 ZINC000057481427 823302556 /nfs/dbraw/zinc/30/25/56/823302556.db2.gz RYHARXQVGRAIBU-UHFFFAOYSA-N 1 0 382.508 4.424 20 0 GIADRO O=C(CCCC1CCOCC1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000409767262 823302915 /nfs/dbraw/zinc/30/29/15/823302915.db2.gz AWDLUOGHRUCXSX-XMMPIXPASA-N 1 0 384.564 4.098 20 0 GIADRO COc1ccc2cc(C[N@H+](C)Cc3cc(=O)oc4cc(O)ccc34)ccc2c1 ZINC000007926738 817960785 /nfs/dbraw/zinc/96/07/85/817960785.db2.gz KEBJEOAXCWAPMO-UHFFFAOYSA-N 1 0 375.424 4.292 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)c2cc(Br)ccc2Cl)cc1F ZINC000122052375 823299122 /nfs/dbraw/zinc/29/91/22/823299122.db2.gz LUGUBUHAKMGWNN-UHFFFAOYSA-N 1 0 399.691 4.233 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc(F)cc1Br ZINC000007946474 817967115 /nfs/dbraw/zinc/96/71/15/817967115.db2.gz MBVQTUQFEZKLJF-UHFFFAOYSA-N 1 0 393.300 4.360 20 0 GIADRO O=C(Nc1cccc(-c2noc(-c3ccc4c[nH+]cn4c3)n2)c1)c1ccccc1F ZINC000572203598 823299445 /nfs/dbraw/zinc/29/94/45/823299445.db2.gz IHSCYLSYCOLQCE-UHFFFAOYSA-N 1 0 399.385 4.443 20 0 GIADRO COc1ccc([C@H](C)N[C@@H](C)c2ccncc2OC)cc1C[NH+]1CCCCC1 ZINC000188764485 823299886 /nfs/dbraw/zinc/29/98/86/823299886.db2.gz CHJOZSJZABRXGU-ROUUACIJSA-N 1 0 383.536 4.497 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccc(Br)cc1F ZINC000008012933 817982862 /nfs/dbraw/zinc/98/28/62/817982862.db2.gz MYOGUSODBIJJMJ-UHFFFAOYSA-N 1 0 391.284 4.114 20 0 GIADRO C[C@@H]1CN(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)CCC1(F)F ZINC000460167558 823303576 /nfs/dbraw/zinc/30/35/76/823303576.db2.gz JJCRJDFOFJSACJ-PBHICJAKSA-N 1 0 385.886 4.164 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCC(C(F)(F)F)CC2)CC1 ZINC000176827851 823303772 /nfs/dbraw/zinc/30/37/72/823303772.db2.gz UVLNZUDUQNSQBF-HNNXBMFYSA-N 1 0 383.458 4.196 20 0 GIADRO Cc1cnc([C@H](NC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)C2CC2)s1 ZINC000176830282 823304178 /nfs/dbraw/zinc/30/41/78/823304178.db2.gz ZUCHUCDBSNFMFB-OXQOHEQNSA-N 1 0 398.576 4.427 20 0 GIADRO CCC[NH+]1CCC(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)CC1 ZINC000008130625 818005304 /nfs/dbraw/zinc/00/53/04/818005304.db2.gz NTSWMYVHXWUUHZ-UHFFFAOYSA-N 1 0 379.715 4.016 20 0 GIADRO 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 823305593 /nfs/dbraw/zinc/30/55/93/823305593.db2.gz ZPBKVHJZCRKMRC-WNKDZCFJSA-N 1 0 377.495 4.117 20 0 GIADRO O=C(c1cc(F)cc2cccnc21)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000122095685 823305786 /nfs/dbraw/zinc/30/57/86/823305786.db2.gz RMQVBXDLWRTMLF-UHFFFAOYSA-N 1 0 391.490 4.155 20 0 GIADRO CCn1c(-c2sccc2C)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000460183025 823308730 /nfs/dbraw/zinc/30/87/30/823308730.db2.gz IOOOMSMWUSWACE-UHFFFAOYSA-N 1 0 399.539 4.186 20 0 GIADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N[C@@H]2CCSc3ccc(F)cc32)C1 ZINC000057514833 823306413 /nfs/dbraw/zinc/30/64/13/823306413.db2.gz FJGGBKOLXSKKDD-IIDMSEBBSA-N 1 0 379.545 4.030 20 0 GIADRO CC(C)(C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000176848129 823308916 /nfs/dbraw/zinc/30/89/16/823308916.db2.gz KDPFNPAHEHVIKH-UHFFFAOYSA-N 1 0 394.559 4.152 20 0 GIADRO CCn1c(Cc2ccc3ccccc3c2)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000460180224 823307558 /nfs/dbraw/zinc/30/75/58/823307558.db2.gz WEULBIXTACBQGA-AVRDEDQJSA-N 1 0 391.563 4.209 20 0 GIADRO CC[N@H+](CC(=O)Nc1nc(-c2cc(OC)ccc2OC)cs1)C1CCCC1 ZINC000572250524 823307955 /nfs/dbraw/zinc/30/79/55/823307955.db2.gz YJEQSWXADVFKLS-UHFFFAOYSA-N 1 0 389.521 4.030 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000572261509 823309151 /nfs/dbraw/zinc/30/91/51/823309151.db2.gz KMNRFWORPOGNPQ-VGSWGCGISA-N 1 0 398.576 4.273 20 0 GIADRO Cc1ccc(NC(=O)C2CC2)cc1NC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000057542630 823308387 /nfs/dbraw/zinc/30/83/87/823308387.db2.gz KIRCWEUPQZJZJE-QGZVFWFLSA-N 1 0 386.540 4.120 20 0 GIADRO Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000057553008 823309402 /nfs/dbraw/zinc/30/94/02/823309402.db2.gz GXVPMIRUODGMDP-LJQANCHMSA-N 1 0 385.511 4.106 20 0 GIADRO Cc1ccc(-n2cc(C[NH2+][C@H](C)CC[S@@](C)=O)c(-c3ccc(F)cc3)n2)cc1 ZINC000572264647 823309505 /nfs/dbraw/zinc/30/95/05/823309505.db2.gz ZDLJCXJVDREOIE-JYRCXFKTSA-N 1 0 399.535 4.234 20 0 GIADRO CCN(c1nnc(-c2cccnc2)n1CC)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000460187849 823310431 /nfs/dbraw/zinc/31/04/31/823310431.db2.gz GXVIKIAVBHQXGR-WIYYLYMNSA-N 1 0 390.535 4.022 20 0 GIADRO Cc1cccc([C@@H](NC(=O)N2CCC(OCCC[NH+](C)C)CC2)C(C)(C)C)c1 ZINC000176854309 823310455 /nfs/dbraw/zinc/31/04/55/823310455.db2.gz CLBMQWUAGREYJI-OAQYLSRUSA-N 1 0 389.584 4.225 20 0 GIADRO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[NH+]1CCC(c2c(C)[nH]c3ccccc32)CC1 ZINC000122128632 823310612 /nfs/dbraw/zinc/31/06/12/823310612.db2.gz HYSKSMOWPMHJJK-KRWDZBQOSA-N 1 0 393.535 4.033 20 0 GIADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)CC2CCC(c3ccccc3)CC2)CC1 ZINC000572272696 823311469 /nfs/dbraw/zinc/31/14/69/823311469.db2.gz QGSYMNYKNJKSBF-DJPZRAAOSA-N 1 0 384.564 4.095 20 0 GIADRO C[C@@H](C(=O)N(CC[NH+](C)C)Cc1cccs1)c1ccc(C(F)(F)F)cc1 ZINC000409803809 823311838 /nfs/dbraw/zinc/31/18/38/823311838.db2.gz DISJYXOIGCRCQK-CQSZACIVSA-N 1 0 384.467 4.461 20 0 GIADRO C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000572278984 823312056 /nfs/dbraw/zinc/31/20/56/823312056.db2.gz MMNBIXHVFRUVRR-AWEZNQCLSA-N 1 0 377.448 4.106 20 0 GIADRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@H]3CCN(c4ccccc4F)C3)c2C1 ZINC000572294391 823315009 /nfs/dbraw/zinc/31/50/09/823315009.db2.gz MTVJVWDJBBAXAW-SFHVURJKSA-N 1 0 381.495 4.262 20 0 GIADRO CCc1nn(C)c(CC)c1CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000188834625 823315246 /nfs/dbraw/zinc/31/52/46/823315246.db2.gz ANGRYXRHBZWFPZ-KRWDZBQOSA-N 1 0 382.552 4.101 20 0 GIADRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1cccc(Br)c1 ZINC000011752803 818116615 /nfs/dbraw/zinc/11/66/15/818116615.db2.gz KUAGMRDNGYQIDP-HKUYNNGSSA-N 1 0 385.305 4.206 20 0 GIADRO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)c3cccc(C4CCC4)c3)CC2)C[C@H](C)O1 ZINC000409810165 823313241 /nfs/dbraw/zinc/31/32/41/823313241.db2.gz RCOCAIUZMQEWQU-KDURUIRLSA-N 1 0 384.564 4.306 20 0 GIADRO C[C@H](NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)c1ccc(Br)cc1 ZINC000057606748 823314057 /nfs/dbraw/zinc/31/40/57/823314057.db2.gz ALHFQWSLOXEUSB-AWEZNQCLSA-N 1 0 382.346 4.026 20 0 GIADRO Cc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@H]2CC[C@H](O)C2)cc1 ZINC000188827627 823314215 /nfs/dbraw/zinc/31/42/15/823314215.db2.gz RLZMAKDEHDFVEJ-REWPJTCUSA-N 1 0 375.516 4.157 20 0 GIADRO CC[C@H](C)[NH2+][C@H](CNC(=O)[C@H]1CCN(c2ccccc2Cl)C1)c1ccco1 ZINC000572296794 823315607 /nfs/dbraw/zinc/31/56/07/823315607.db2.gz UOSRAUKHYFSDOV-XYJFISCASA-N 1 0 389.927 4.005 20 0 GIADRO CCc1ccc([C@@H](CNC(=O)c2cc(O)ccc2C(F)(F)F)[NH+](C)C)cc1 ZINC000188842802 823316046 /nfs/dbraw/zinc/31/60/46/823316046.db2.gz WSTZTJJMLTZLTG-GOSISDBHSA-N 1 0 380.410 4.006 20 0 GIADRO CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000460204375 823316365 /nfs/dbraw/zinc/31/63/65/823316365.db2.gz MJDGCYRZLAWREB-INIZCTEOSA-N 1 0 391.922 4.212 20 0 GIADRO O=C(Nc1ccccc1OCC(F)(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000572300741 823316423 /nfs/dbraw/zinc/31/64/23/823316423.db2.gz KORUFCGHCUZVPD-MRXNPFEDSA-N 1 0 378.394 4.088 20 0 GIADRO O=C(CCCc1csc2ccccc12)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000122171596 823316638 /nfs/dbraw/zinc/31/66/38/823316638.db2.gz JWIFDOQHXCWWQF-UHFFFAOYSA-N 1 0 393.556 4.400 20 0 GIADRO Cc1c(NCC(C)(C)C)cccc1C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000176884443 823317145 /nfs/dbraw/zinc/31/71/45/823317145.db2.gz MRBIAJQEDQEZMI-UHFFFAOYSA-N 1 0 394.563 4.242 20 0 GIADRO CCn1c(-c2ccccc2C)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000460208362 823317546 /nfs/dbraw/zinc/31/75/46/823317546.db2.gz YSXYJQQWFHYWNG-UHFFFAOYSA-N 1 0 393.510 4.125 20 0 GIADRO CCOc1cc(C[NH2+][C@@H](C)COc2cccc(C)c2)cc(Br)c1O ZINC000572310098 823317836 /nfs/dbraw/zinc/31/78/36/823317836.db2.gz SJACJHPJEFLMIN-AWEZNQCLSA-N 1 0 394.309 4.419 20 0 GIADRO CC(C)(C)OC(=O)Nc1cc2ccccc2cc1C(=O)N1CC[NH+]2CCC1CC2 ZINC000188858469 823318126 /nfs/dbraw/zinc/31/81/26/823318126.db2.gz ZDAFHIOTCUDOGR-UHFFFAOYSA-N 1 0 395.503 4.107 20 0 GIADRO C[C@H](C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccc(F)c(F)c1 ZINC000460210719 823318382 /nfs/dbraw/zinc/31/83/82/823318382.db2.gz OBGJUUSHAYDQJR-RFUYNDQBSA-N 1 0 378.488 4.329 20 0 GIADRO CCn1ncc(C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)c1-c1ccccc1 ZINC000572313660 823318551 /nfs/dbraw/zinc/31/85/51/823318551.db2.gz WOXUOBBCWOXEDE-FQEVSTJZSA-N 1 0 396.922 4.256 20 0 GIADRO C[C@@H](C(=O)N1CCC[C@H](Cc2nccn2C)C1)c1ccc(C(F)(F)F)cc1 ZINC000409830481 823319290 /nfs/dbraw/zinc/31/92/90/823319290.db2.gz SHORSXDUKAFAGK-HUUCEWRRSA-N 1 0 379.426 4.024 20 0 GIADRO C[NH+](C)CC1(C(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)cc2)CCCCC1 ZINC000460214548 823319589 /nfs/dbraw/zinc/31/95/89/823319589.db2.gz YETLYLFYSGOABA-UHFFFAOYSA-N 1 0 395.503 4.028 20 0 GIADRO CCn1c(Cc2cccc3ccccc32)nnc1N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000460215110 823319969 /nfs/dbraw/zinc/31/99/69/823319969.db2.gz WYPMQXGJNHDZAM-RXVVDRJESA-N 1 0 391.563 4.351 20 0 GIADRO C[NH+](C)Cc1ccnc(NC(=O)CCCOc2cccc(Cl)c2Cl)c1 ZINC000176899743 823320224 /nfs/dbraw/zinc/32/02/24/823320224.db2.gz FEPJPZUIVRJDSV-UHFFFAOYSA-N 1 0 382.291 4.248 20 0 GIADRO COc1ccc([C@H](CNC(=O)c2ccc(Cl)cc2F)[NH+]2CCCC2)cc1 ZINC000014238970 818229928 /nfs/dbraw/zinc/22/99/28/818229928.db2.gz PWOLXPMRKSAYRZ-IBGZPJMESA-N 1 0 376.859 4.055 20 0 GIADRO C[NH+](C)Cc1ccnc(NC(=O)c2ccc(-c3nc4ccccc4s3)o2)c1 ZINC000176909674 823321931 /nfs/dbraw/zinc/32/19/31/823321931.db2.gz OLABKZAZEZIIGF-UHFFFAOYSA-N 1 0 378.457 4.265 20 0 GIADRO C[NH+](C)Cc1ccnc(NC(=O)CCc2nc3ccccc3n2-c2ccccc2)c1 ZINC000176910375 823322345 /nfs/dbraw/zinc/32/23/45/823322345.db2.gz HXGOWAPLVZZDQJ-UHFFFAOYSA-N 1 0 399.498 4.053 20 0 GIADRO C[C@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000409841108 823322305 /nfs/dbraw/zinc/32/23/05/823322305.db2.gz FFNAYVCWRIHHRH-QOKNQOGYSA-N 1 0 380.454 4.284 20 0 GIADRO CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000460221941 823322359 /nfs/dbraw/zinc/32/23/59/823322359.db2.gz MKRDHCJZNSRRAH-PBHICJAKSA-N 1 0 395.473 4.150 20 0 GIADRO C[C@H]([NH2+]C1(CNC(=O)N2CCC(F)(F)[C@@H](C)C2)CCCC1)c1ccccc1 ZINC000460222834 823322493 /nfs/dbraw/zinc/32/24/93/823322493.db2.gz AASZKSXGYLFTGD-IRXDYDNUSA-N 1 0 379.495 4.337 20 0 GIADRO CC[NH+]1CCC(NC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc32)CC1 ZINC000014523660 818249174 /nfs/dbraw/zinc/24/91/74/818249174.db2.gz KYVKBISDMFLMED-UHFFFAOYSA-N 1 0 377.463 4.255 20 0 GIADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)c2ccccc2Br)C1 ZINC000409844334 823323194 /nfs/dbraw/zinc/32/31/94/823323194.db2.gz MDHXEWYEBZHSTD-INIZCTEOSA-N 1 0 395.385 4.211 20 0 GIADRO CC[N@H+](Cc1ccc(SC(=O)N(C)C)cc1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000176914784 823323547 /nfs/dbraw/zinc/32/35/47/823323547.db2.gz ZUNRLQFIZOVKMP-UHFFFAOYSA-N 1 0 399.560 4.184 20 0 GIADRO COc1ccc(OC)c(-c2csc(NC(=O)[C@H]3CCCCCC[C@H]3[NH3+])n2)c1 ZINC000572355432 823326456 /nfs/dbraw/zinc/32/64/56/823326456.db2.gz NSBSZONNZKEBBE-GOEBONIOSA-N 1 0 389.521 4.064 20 0 GIADRO O=C(C[NH2+][C@@H](Cc1ccccc1)c1ccccc1)N[C@H]1CCOc2ccccc21 ZINC000409847774 823324650 /nfs/dbraw/zinc/32/46/50/823324650.db2.gz YHEKPEPLYXBHQZ-GOTSBHOMSA-N 1 0 386.495 4.200 20 0 GIADRO O=C(Nc1ccccc1O)C1CC[NH+](Cc2ccccc2Br)CC1 ZINC000015043801 818285831 /nfs/dbraw/zinc/28/58/31/818285831.db2.gz CEPIGTOFPNIFSA-UHFFFAOYSA-N 1 0 389.293 4.005 20 0 GIADRO O=C(CCCC(F)(F)F)NC1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000572350902 823325631 /nfs/dbraw/zinc/32/56/31/823325631.db2.gz PFEGJHPBLQDRIE-UHFFFAOYSA-N 1 0 395.425 4.155 20 0 GIADRO CCN(C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1)[C@H]1CCOC(C)(C)C1 ZINC000460233908 823325901 /nfs/dbraw/zinc/32/59/01/823325901.db2.gz DOCQZTXUYRPZNB-MJGOQNOKSA-N 1 0 375.557 4.105 20 0 GIADRO COc1cc(-c2noc(C[N@@H+]3CCC[C@H]3c3cccc4ccccc43)n2)ncn1 ZINC000572352612 823325989 /nfs/dbraw/zinc/32/59/89/823325989.db2.gz KLKHRXSKIGNJOF-IBGZPJMESA-N 1 0 387.443 4.026 20 0 GIADRO Cc1nc(CC[NH2+]C[C@@H](O)CO[C@H](c2ccccc2)c2ccc(C)cc2)cs1 ZINC000572356693 823326665 /nfs/dbraw/zinc/32/66/65/823326665.db2.gz SABTUFXAVZSTRO-DHIUTWEWSA-N 1 0 396.556 4.059 20 0 GIADRO COCC1(C[NH2+][C@@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)CCC1 ZINC000409853019 823326712 /nfs/dbraw/zinc/32/67/12/823326712.db2.gz MFLVYULGDCGGKY-OAQYLSRUSA-N 1 0 382.504 4.090 20 0 GIADRO CC(C)C[C@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)CC1CCC(=O)CC1 ZINC000572389917 823331751 /nfs/dbraw/zinc/33/17/51/823331751.db2.gz OGQPXVUVCVYTHU-QHCPKHFHSA-N 1 0 398.591 4.328 20 0 GIADRO O=C(CC[N@@H+]1CC[C@@H](c2cccnc2)C1)N[C@H](c1cccs1)c1ccccc1 ZINC000572360103 823327244 /nfs/dbraw/zinc/32/72/44/823327244.db2.gz GJLZDKHDKIAQTP-OFNKIYASSA-N 1 0 391.540 4.228 20 0 GIADRO O=C(c1ccc(-c2ccc(Br)s2)s1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000572361528 823327499 /nfs/dbraw/zinc/32/74/99/823327499.db2.gz PXFBTDHFEPLEAQ-QWRGUYRKSA-N 1 0 397.363 4.063 20 0 GIADRO Cc1nc(-c2ccc(C)cc2C)sc1C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC000572361354 823327540 /nfs/dbraw/zinc/32/75/40/823327540.db2.gz HLVOBKHLDYQVMH-ZDUSSCGKSA-N 1 0 398.557 4.260 20 0 GIADRO Cc1ccccc1NC(=O)[C@H](C)[NH2+][C@H]1CCOc2c(Br)cccc21 ZINC000409857970 823327885 /nfs/dbraw/zinc/32/78/85/823327885.db2.gz OFSYUDPYZTUBFL-GUYCJALGSA-N 1 0 389.293 4.198 20 0 GIADRO Cc1csc2nc(CNc3ccccc3C[N@@H+](C)C3CCCCC3)cc(=O)n12 ZINC000015322827 818312888 /nfs/dbraw/zinc/31/28/88/818312888.db2.gz SHCWFTGNJQBGNJ-UHFFFAOYSA-N 1 0 396.560 4.441 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)c2cccc3ccc(=O)[nH]c32)CC[N@@H+]1Cc1ccccc1 ZINC000572370110 823328551 /nfs/dbraw/zinc/32/85/51/823328551.db2.gz FJIGUDYXSJQUSC-PXNSSMCTSA-N 1 0 389.499 4.066 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)c2cccc3ccc(=O)[nH]c32)CC[N@@H+]1Cc1ccccc1 ZINC000572370109 823328599 /nfs/dbraw/zinc/32/85/99/823328599.db2.gz FJIGUDYXSJQUSC-FXAWDEMLSA-N 1 0 389.499 4.066 20 0 GIADRO C[C@@H](C[NH2+]CCC(=O)Nc1cccc(Cl)c1)c1nc(-c2ccccc2)no1 ZINC000572393666 823332354 /nfs/dbraw/zinc/33/23/54/823332354.db2.gz SOOASDKUKOPXES-AWEZNQCLSA-N 1 0 384.867 4.112 20 0 GIADRO C[C@H](O)[C@](C)(C[NH2+]C1CCN(CCc2ccc(F)cc2)CC1)Cc1ccccc1 ZINC000188929138 823329712 /nfs/dbraw/zinc/32/97/12/823329712.db2.gz XLQWUFWDSAZAFM-CPJSRVTESA-N 1 0 398.566 4.052 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(Cl)cc2OC(F)F)C[C@H]1C ZINC000460255405 823332219 /nfs/dbraw/zinc/33/22/19/823332219.db2.gz XQJXYQRQSPLMER-YPMHNXCESA-N 1 0 375.847 4.278 20 0 GIADRO FC(F)(F)Cn1ccnc1C[NH2+][C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000188934815 823330559 /nfs/dbraw/zinc/33/05/59/823330559.db2.gz LLOJXLIMWUXEIF-LBPRGKRZSA-N 1 0 393.240 4.121 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)CCc1ccc([C@@H]2C[C@@H]2C)o1)[NH+]1CCCC1 ZINC000057789453 823333377 /nfs/dbraw/zinc/33/33/77/823333377.db2.gz AFRIMRKTTXZBGP-WMQCIHAUSA-N 1 0 396.531 4.298 20 0 GIADRO CCOc1ccc(NC(=S)NC[C@H](c2ccccc2OC)[NH+]2CCCC2)cc1 ZINC000016241283 818409025 /nfs/dbraw/zinc/40/90/25/818409025.db2.gz YQZGBMBGTKCPAM-HXUWFJFHSA-N 1 0 399.560 4.217 20 0 GIADRO C[NH+](C)[C@H](CNC(=S)Nc1ccc(OC(F)F)cc1)c1cccc(F)c1 ZINC000016242567 818409638 /nfs/dbraw/zinc/40/96/38/818409638.db2.gz AMUNRYCMPNCBTJ-MRXNPFEDSA-N 1 0 383.439 4.016 20 0 GIADRO COc1cccc([C@@H](CNC(=S)Nc2cccc(C)c2C)[NH+]2CCCC2)c1 ZINC000016244964 818410305 /nfs/dbraw/zinc/41/03/05/818410305.db2.gz CUFNRQNHGSDINV-OAQYLSRUSA-N 1 0 383.561 4.436 20 0 GIADRO COc1cccc([C@H](CNC(=S)Nc2cccc(C)c2C)[NH+]2CCCC2)c1 ZINC000016244965 818410361 /nfs/dbraw/zinc/41/03/61/818410361.db2.gz CUFNRQNHGSDINV-NRFANRHFSA-N 1 0 383.561 4.436 20 0 GIADRO CCOc1ccc(NC(=O)C[N@H+](C)[C@@H]2CCCc3ccccc32)cc1OCC ZINC000016342674 818426872 /nfs/dbraw/zinc/42/68/72/818426872.db2.gz HHPMLPNAYFJRPC-HXUWFJFHSA-N 1 0 382.504 4.432 20 0 GIADRO C[NH+](C)CCN(C(=O)c1csc(CCc2ccccc2)n1)C1CCCCC1 ZINC000409885520 823335814 /nfs/dbraw/zinc/33/58/14/823335814.db2.gz WVXOKRZHGXKPOQ-UHFFFAOYSA-N 1 0 385.577 4.265 20 0 GIADRO CCc1cccc(C)c1NC(=O)COC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000016402133 818436110 /nfs/dbraw/zinc/43/61/10/818436110.db2.gz FRWUAJOIARKESS-UHFFFAOYSA-N 1 0 394.515 4.339 20 0 GIADRO Fc1ccc(Cn2cc(C[NH2+]C[C@@H](c3cccs3)N3CCCC3)cn2)cc1 ZINC000188982415 823338002 /nfs/dbraw/zinc/33/80/02/823338002.db2.gz YAJJKHNXXQMZKJ-FQEVSTJZSA-N 1 0 384.524 4.059 20 0 GIADRO Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H](CN(C)C)c1ccc(F)cc1 ZINC000572433281 823338456 /nfs/dbraw/zinc/33/84/56/823338456.db2.gz TYRIKSKPTCKVIF-YWZLYKJASA-N 1 0 391.918 4.397 20 0 GIADRO CC[N@H+](C)[C@@H](C(=O)NCc1ccc(COCC(F)(F)F)cc1)c1ccccc1 ZINC000057826854 823338591 /nfs/dbraw/zinc/33/85/91/823338591.db2.gz HMUYJNIDJODGJY-LJQANCHMSA-N 1 0 394.437 4.075 20 0 GIADRO CC(C)c1n[nH]cc1C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000188990571 823338948 /nfs/dbraw/zinc/33/89/48/823338948.db2.gz GMMBXFMWUJXGKL-UHFFFAOYSA-N 1 0 376.504 4.192 20 0 GIADRO O=C(NC[C@H]1CCCCN1Cc1cccc(Cl)c1)c1c(F)ccc(O)c1F ZINC000572444856 823340508 /nfs/dbraw/zinc/34/05/08/823340508.db2.gz IESMNSLIBZUCGK-OAHLLOKOSA-N 1 0 394.849 4.108 20 0 GIADRO Cc1cc2cc(NC(=O)N3CCC(CC[NH+]4C[C@@H](C)O[C@H](C)C4)CC3)ccc2[nH]1 ZINC000176978107 823340560 /nfs/dbraw/zinc/34/05/60/823340560.db2.gz NRNBCMQKDJNLJM-QZTJIDSGSA-N 1 0 398.551 4.220 20 0 GIADRO CC(C)n1cnc(C(=O)N[C@H]2CCN(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000409905246 823340796 /nfs/dbraw/zinc/34/07/96/823340796.db2.gz VTWYJDFOQLAVLU-PKOBYXMFSA-N 1 0 392.906 4.210 20 0 GIADRO COc1cccc(OC)c1OCCCC[N@@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000572446338 823340809 /nfs/dbraw/zinc/34/08/09/823340809.db2.gz QCVNOWBNDFIDPO-DEOSSOPVSA-N 1 0 397.515 4.333 20 0 GIADRO CCn1c(C2CCC2)nnc1N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000460287750 823340982 /nfs/dbraw/zinc/34/09/82/823340982.db2.gz FKOIBUUYFAZSEE-HSZRJFAPSA-N 1 0 379.552 4.058 20 0 GIADRO CC(=O)c1cccc(NC(=O)C[NH2+]C(C)(C)c2cccc(C(F)(F)F)c2)c1 ZINC000057846821 823341065 /nfs/dbraw/zinc/34/10/65/823341065.db2.gz WZPOIVBAGIOYLY-UHFFFAOYSA-N 1 0 378.394 4.371 20 0 GIADRO COc1ccc(C(=O)Nc2cccc(C[NH2+]CCOc3ccc(C)cc3)c2)cc1 ZINC000017311991 818507826 /nfs/dbraw/zinc/50/78/26/818507826.db2.gz ROGHZCBGOWFGPL-UHFFFAOYSA-N 1 0 390.483 4.425 20 0 GIADRO CN1CCC([NH2+]Cc2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)CC1 ZINC000017313842 818508606 /nfs/dbraw/zinc/50/86/06/818508606.db2.gz QVIQOZKMWXRYFI-UHFFFAOYSA-N 1 0 386.499 4.469 20 0 GIADRO C[NH+]1CCN(c2ccc(NC(=O)c3cc(F)c(Cl)cc3Cl)cc2)CC1 ZINC000017371319 818513900 /nfs/dbraw/zinc/51/39/00/818513900.db2.gz GPXPKZIJVUTLGI-UHFFFAOYSA-N 1 0 382.266 4.137 20 0 GIADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1cc(F)c(F)cc1F ZINC000176982041 823341733 /nfs/dbraw/zinc/34/17/33/823341733.db2.gz ZNMZGROMGIWDHO-HNNXBMFYSA-N 1 0 392.425 4.017 20 0 GIADRO CC1CC[NH+]([C@H](CNC(=O)N2CCC[C@@H]2c2cccn2C)c2ccccc2)CC1 ZINC000057855123 823341841 /nfs/dbraw/zinc/34/18/41/823341841.db2.gz DKFDWYOAFKCHJS-DHIUTWEWSA-N 1 0 394.563 4.345 20 0 GIADRO C[C@H](CCCOc1ccccc1C(N)=O)[NH2+][C@@H](c1nccs1)c1ccccc1 ZINC000122348975 823341951 /nfs/dbraw/zinc/34/19/51/823341951.db2.gz BTYUPRUBNWLMTK-OXQOHEQNSA-N 1 0 395.528 4.169 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1ccc(OCc2ccccc2)cc1)c1cccs1 ZINC000017795974 818527494 /nfs/dbraw/zinc/52/74/94/818527494.db2.gz FDJQRSPVRRQXGR-HXUWFJFHSA-N 1 0 380.513 4.360 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1cc2c(s1)-c1ccccc1OC2)c1cccc(F)c1 ZINC000017794293 818527748 /nfs/dbraw/zinc/52/77/48/818527748.db2.gz YMVQIEMOIIFDFR-SFHVURJKSA-N 1 0 396.487 4.479 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)Nc2ccc3c(c2)OC(C)(C)O3)cc1 ZINC000057858350 823342712 /nfs/dbraw/zinc/34/27/12/823342712.db2.gz XZURKXDZUQSGGK-UHFFFAOYSA-N 1 0 383.492 4.357 20 0 GIADRO CCc1ccc(-c2nc(CC(=O)N(C)[C@@H]3CC[N@@H+](CC)C[C@@H]3C)cs2)cc1 ZINC000122352236 823342767 /nfs/dbraw/zinc/34/27/67/823342767.db2.gz ZFLKRRWTMZNLDZ-OXJNMPFZSA-N 1 0 385.577 4.104 20 0 GIADRO COc1ccc([C@H](CNC(=O)c2ccc3c(c2)CCCC3)[NH+]2CCCC2)cc1 ZINC000017911751 818532959 /nfs/dbraw/zinc/53/29/59/818532959.db2.gz URSNFXLKZIWNIO-QHCPKHFHSA-N 1 0 378.516 4.141 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)Nc2ccc(-n3cccn3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000176990802 823343979 /nfs/dbraw/zinc/34/39/79/823343979.db2.gz YFDKAHGDXOBURX-WIYYLYMNSA-N 1 0 389.503 4.047 20 0 GIADRO CC1CC[NH+]([C@@H](CNC(=O)NCC(C)(C)C(F)(F)F)c2cccs2)CC1 ZINC000572493172 823349214 /nfs/dbraw/zinc/34/92/14/823349214.db2.gz PNPAARCYUOPMLO-AWEZNQCLSA-N 1 0 391.503 4.409 20 0 GIADRO Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1C ZINC000018041886 818541142 /nfs/dbraw/zinc/54/11/42/818541142.db2.gz LGYKWGYADHNXFZ-UHFFFAOYSA-N 1 0 393.531 4.000 20 0 GIADRO Clc1cnc(-n2cc(N[C@@H]3CC[NH2+][C@H](c4ccccc4)C3)cn2)c(Cl)c1 ZINC000572464049 823344631 /nfs/dbraw/zinc/34/46/31/823344631.db2.gz BKJDQHOAZDNDLT-QAPCUYQASA-N 1 0 388.302 4.479 20 0 GIADRO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000189032485 823345017 /nfs/dbraw/zinc/34/50/17/823345017.db2.gz AOOZZQIDCSPRNI-DYVFJYSZSA-N 1 0 389.540 4.340 20 0 GIADRO CC(C)(CNC(=S)Nc1ccc(OC(F)(F)F)cc1)[NH+]1CCCCC1 ZINC000018144612 818550608 /nfs/dbraw/zinc/55/06/08/818550608.db2.gz JDPPOFROLJKIIF-UHFFFAOYSA-N 1 0 375.460 4.136 20 0 GIADRO COc1cccc([C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2)[NH+]2CCCC2)c1 ZINC000018184042 818554844 /nfs/dbraw/zinc/55/48/44/818554844.db2.gz UIIQUHIRFGXGNT-LJQANCHMSA-N 1 0 392.421 4.281 20 0 GIADRO CC(C)(O)C[N@@H+]1CCc2c(cccc2NC(=O)CC2CC(c3ccccc3)C2)C1 ZINC000409928673 823345741 /nfs/dbraw/zinc/34/57/41/823345741.db2.gz APBGLSXJHFUKJI-UHFFFAOYSA-N 1 0 392.543 4.338 20 0 GIADRO CCC(CC)[C@@H]1C[C@H]([NH2+]C[C@@H](O)CO[C@H](C)c2ccc(Cl)cc2)CCO1 ZINC000572476831 823346466 /nfs/dbraw/zinc/34/64/66/823346466.db2.gz NDMVGVQJPUEJBB-DOVSJBTNSA-N 1 0 383.960 4.352 20 0 GIADRO C[C@H](NC(=O)Nc1cccc(C[NH+](C)C)c1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000177000298 823346508 /nfs/dbraw/zinc/34/65/08/823346508.db2.gz GKSBKHBBIGAWTP-ZDUSSCGKSA-N 1 0 399.882 4.334 20 0 GIADRO Cc1nc(C(C)C)sc1[C@@H](C)[NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000189040319 823346616 /nfs/dbraw/zinc/34/66/16/823346616.db2.gz MIFNHWCVORSFRK-DYVFJYSZSA-N 1 0 375.513 4.166 20 0 GIADRO C[N@@H+](Cc1ccc(Br)s1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000057944548 823349529 /nfs/dbraw/zinc/34/95/29/823349529.db2.gz BNMHWXAUIISIAK-LBPRGKRZSA-N 1 0 390.730 4.036 20 0 GIADRO COc1ccccc1[C@]1(C)C[C@H]1NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000572479573 823347186 /nfs/dbraw/zinc/34/71/86/823347186.db2.gz VHGFNZLMKXIMSQ-LSWJPFSZSA-N 1 0 379.504 4.096 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3c(C)onc3-c3ccccc3)cc2)CC1 ZINC000018891952 818579185 /nfs/dbraw/zinc/57/91/85/818579185.db2.gz HZZFEGKLCQPVMD-UHFFFAOYSA-N 1 0 390.487 4.044 20 0 GIADRO COc1ccccc1[C@@H](CNC(=S)Nc1ccc(C)c(F)c1)[NH+]1CCCC1 ZINC000018925441 818580983 /nfs/dbraw/zinc/58/09/83/818580983.db2.gz IXQLELLSFAKVCA-LJQANCHMSA-N 1 0 387.524 4.266 20 0 GIADRO CC[N@H+](C)[C@@H](C(=O)NCc1cccc(NC(=O)C2CCCC2)c1)c1ccccc1 ZINC000057914498 823347740 /nfs/dbraw/zinc/34/77/40/823347740.db2.gz MORFYMBUEYWKKC-JOCHJYFZSA-N 1 0 393.531 4.125 20 0 GIADRO Fc1ccc(Cn2cc(C[NH2+]Cc3ccc(N4CCCCCC4)nc3)cn2)cc1 ZINC000189047430 823348016 /nfs/dbraw/zinc/34/80/16/823348016.db2.gz PKTPCFLPYTYYPN-UHFFFAOYSA-N 1 0 393.510 4.136 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1ccccc1CSc1nc2ccccc2o1)C1CC1 ZINC000122389905 823348053 /nfs/dbraw/zinc/34/80/53/823348053.db2.gz IGNBOSKBCQAOTQ-LJQANCHMSA-N 1 0 395.528 4.190 20 0 GIADRO C[NH+](C)CCN(Cc1cccs1)C(=O)NC[C@@H](c1ccccc1)C(F)(F)F ZINC000189048777 823348205 /nfs/dbraw/zinc/34/82/05/823348205.db2.gz MMRJXIGQFNDQCH-KRWDZBQOSA-N 1 0 399.482 4.167 20 0 GIADRO COc1ccc(NC(=O)C[NH2+][C@@H](Cc2ccccc2)c2ccccc2)c(OC)c1 ZINC000019538785 818593929 /nfs/dbraw/zinc/59/39/29/818593929.db2.gz YVVCJGFJXNNEKM-QFIPXVFZSA-N 1 0 390.483 4.216 20 0 GIADRO CC[N@@H+](Cc1nc(-c2ccccc2F)no1)CC1CCN(c2ccccn2)CC1 ZINC000189056971 823349777 /nfs/dbraw/zinc/34/97/77/823349777.db2.gz MOVMARICOPEPOD-UHFFFAOYSA-N 1 0 395.482 4.009 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccc(Br)s1 ZINC000189050426 823348594 /nfs/dbraw/zinc/34/85/94/823348594.db2.gz LFHHYNNJNDGWQQ-RISCZKNCSA-N 1 0 397.313 4.101 20 0 GIADRO O=C(C1CC[NH+](Cc2ccc(-c3nc4ccccc4s3)o2)CC1)N1CCCC1 ZINC000122444879 823355238 /nfs/dbraw/zinc/35/52/38/823355238.db2.gz YVIBJSIJNLCGOT-UHFFFAOYSA-N 1 0 395.528 4.391 20 0 GIADRO CC[NH+](CC)[C@@H](C(=O)Nc1cccc2nccn21)c1cccc(C(F)(F)F)c1 ZINC000460329104 823355245 /nfs/dbraw/zinc/35/52/45/823355245.db2.gz BVHLQVLACCHCKE-GOSISDBHSA-N 1 0 390.409 4.375 20 0 GIADRO FC(F)CN1CCC([NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)CC1 ZINC000057977958 823352347 /nfs/dbraw/zinc/35/23/47/823352347.db2.gz AEDKDDMVUNILDZ-UHFFFAOYSA-N 1 0 395.881 4.133 20 0 GIADRO COc1ccc(C[NH2+][C@@H]2CCN(CC(F)(F)F)C2)cc1OCc1ccccc1 ZINC000057976951 823352379 /nfs/dbraw/zinc/35/23/79/823352379.db2.gz MUMLQGVQHILWRZ-GOSISDBHSA-N 1 0 394.437 4.000 20 0 GIADRO CC(C)(C)c1n[nH]cc1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000057979162 823352576 /nfs/dbraw/zinc/35/25/76/823352576.db2.gz QBWYMWKXSDNASH-UHFFFAOYSA-N 1 0 386.503 4.245 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(NC(=O)C(C)(C)C)ccc2C)C1 ZINC000177030579 823354289 /nfs/dbraw/zinc/35/42/89/823354289.db2.gz MEYXBZLWHYCEAP-KRWDZBQOSA-N 1 0 388.556 4.175 20 0 GIADRO COc1ccccc1[C@H](CNC(=S)Nc1cc(C)ccc1C)[NH+]1CCCC1 ZINC000021323162 818675182 /nfs/dbraw/zinc/67/51/82/818675182.db2.gz JOFWLKVSKGHNAO-FQEVSTJZSA-N 1 0 383.561 4.436 20 0 GIADRO CCCCC[C@H](C)NC(=O)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000057960387 823350768 /nfs/dbraw/zinc/35/07/68/823350768.db2.gz TWPKNBVHNMEABZ-SFHVURJKSA-N 1 0 387.568 4.475 20 0 GIADRO CC(=O)Nc1cc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)ccc1C ZINC000177021637 823351244 /nfs/dbraw/zinc/35/12/44/823351244.db2.gz AJYSOISMZXBUDR-UTKZUKDTSA-N 1 0 394.519 4.128 20 0 GIADRO C[NH+](C)Cc1ccccc1CNC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000021405357 818684316 /nfs/dbraw/zinc/68/43/16/818684316.db2.gz NSYZAYSZKWQURA-UHFFFAOYSA-N 1 0 397.906 4.306 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1cc(O)ccc1C(F)(F)F)c1ccsc1 ZINC000189091597 823356421 /nfs/dbraw/zinc/35/64/21/823356421.db2.gz LMMYZWWDHLCZHY-MRXNPFEDSA-N 1 0 386.439 4.285 20 0 GIADRO CC1CC[NH+](Cc2cccc(CNC(=O)N3CCCc4occc4C3)c2)CC1 ZINC000460353060 823361604 /nfs/dbraw/zinc/36/16/04/823361604.db2.gz XOABBMVYKGQQCX-UHFFFAOYSA-N 1 0 381.520 4.170 20 0 GIADRO CCC[N@H+](CCCc1nc(-c2cccs2)no1)CC(=O)Nc1ccccc1C ZINC000058040398 823356955 /nfs/dbraw/zinc/35/69/55/823356955.db2.gz YEMKSSNYZTUTJX-UHFFFAOYSA-N 1 0 398.532 4.390 20 0 GIADRO COc1ccc(C[NH+](Cc2ccc(OC)cc2)C[C@H](O)CC(F)(F)F)cc1 ZINC000189097653 823357448 /nfs/dbraw/zinc/35/74/48/823357448.db2.gz ZCZRDUVIUFZRGA-QGZVFWFLSA-N 1 0 383.410 4.019 20 0 GIADRO O=C([C@@H]1CCCC(F)(F)C1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000409969580 823358111 /nfs/dbraw/zinc/35/81/11/823358111.db2.gz DAFKYZJNZOELTQ-CTNGQTDRSA-N 1 0 376.491 4.327 20 0 GIADRO CC(C)(CNC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)c1cccs1 ZINC000460340085 823358386 /nfs/dbraw/zinc/35/83/86/823358386.db2.gz GQSANJZRMMWYRJ-PMACEKPBSA-N 1 0 397.588 4.189 20 0 GIADRO C[C@H](C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)[C@H]1OCCc2sccc21 ZINC000572546113 823358564 /nfs/dbraw/zinc/35/85/64/823358564.db2.gz LYJPQFFPOURAIN-WAOWUJCRSA-N 1 0 390.593 4.113 20 0 GIADRO CCCC[C@@H](C)N(C)C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000460345697 823359527 /nfs/dbraw/zinc/35/95/27/823359527.db2.gz HIILQSAKYJBFRZ-MSOLQXFVSA-N 1 0 392.563 4.249 20 0 GIADRO C[C@H](CO)[C@H](C)[NH2+][C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC000460345144 823359754 /nfs/dbraw/zinc/35/97/54/823359754.db2.gz FETDDBMLCQWQFL-VBHSOAQHSA-N 1 0 381.303 4.280 20 0 GIADRO Cc1ccc(-c2nc(CC[NH2+]Cc3cnn(Cc4ccc(F)cc4)c3)co2)cc1 ZINC000189118993 823360035 /nfs/dbraw/zinc/36/00/35/823360035.db2.gz SIGHXJGRSJQVTB-UHFFFAOYSA-N 1 0 390.462 4.366 20 0 GIADRO C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@H](c2ccncc2)C1 ZINC000572563077 823361531 /nfs/dbraw/zinc/36/15/31/823361531.db2.gz OFNPHZSMWYVGJL-HOCLYGCPSA-N 1 0 377.410 4.307 20 0 GIADRO CCOc1ccc(C(=O)CCC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000021917893 818755772 /nfs/dbraw/zinc/75/57/72/818755772.db2.gz CUOPFIKVZCCUHZ-QFIPXVFZSA-N 1 0 394.515 4.002 20 0 GIADRO CNC(=O)C1CC[NH+](Cc2ccc(OCc3c(F)cccc3Cl)cc2)CC1 ZINC000122524182 823366878 /nfs/dbraw/zinc/36/68/78/823366878.db2.gz RRIHQSDRZNYXPR-UHFFFAOYSA-N 1 0 390.886 4.016 20 0 GIADRO COc1cc(OC)c(NC(=O)C[N@H+](C)[C@H]2CCCc3ccccc32)cc1Cl ZINC000022062462 818768456 /nfs/dbraw/zinc/76/84/56/818768456.db2.gz INEGPGCMIDKTFJ-SFHVURJKSA-N 1 0 388.895 4.305 20 0 GIADRO CC(C)Sc1c(Cl)cccc1NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000177063974 823362496 /nfs/dbraw/zinc/36/24/96/823362496.db2.gz MBQKJFNVCSBWLX-HNNXBMFYSA-N 1 0 397.972 4.027 20 0 GIADRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)C1 ZINC000409985725 823362896 /nfs/dbraw/zinc/36/28/96/823362896.db2.gz ALXAIJNDPQUWAZ-INIZCTEOSA-N 1 0 384.907 4.033 20 0 GIADRO C[C@@H](C(=O)Nc1ccccc1Cc1ccccc1)[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000189136721 823363242 /nfs/dbraw/zinc/36/32/42/823363242.db2.gz VPMMZRJHHVGHSK-YADARESESA-N 1 0 392.543 4.495 20 0 GIADRO Cc1ccccc1C[N@H+]1CCCN(C(=O)Nc2ccc(N(C)C)c(C)c2)CC1 ZINC000058124065 823363338 /nfs/dbraw/zinc/36/33/38/823363338.db2.gz YYJQZHNUNYKMQQ-UHFFFAOYSA-N 1 0 380.536 4.109 20 0 GIADRO COc1ccc(NC(=O)c2nnc(C[NH2+][C@H]3CCCC[C@H]3C(C)C)s2)cc1 ZINC000460364008 823364489 /nfs/dbraw/zinc/36/44/89/823364489.db2.gz QLSKESWXDLQZFW-IRXDYDNUSA-N 1 0 388.537 4.103 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)Nc2cc(F)c(F)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000177084873 823367228 /nfs/dbraw/zinc/36/72/28/823367228.db2.gz ZDCKTOKVLGNZPN-HIFRSBDPSA-N 1 0 377.410 4.279 20 0 GIADRO COc1cccc(CN(C)C(=O)NCc2ccccc2C[NH+]2CCCCC2)c1 ZINC000022429104 818805288 /nfs/dbraw/zinc/80/52/88/818805288.db2.gz USAJCRBECGFUNR-UHFFFAOYSA-N 1 0 381.520 4.023 20 0 GIADRO COc1cc(Br)ccc1[C@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000189145561 823364948 /nfs/dbraw/zinc/36/49/48/823364948.db2.gz KRIGORADVKQKDP-ZDUSSCGKSA-N 1 0 391.309 4.010 20 0 GIADRO C[C@@H](Sc1nc2ccccc2s1)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000022457727 818809220 /nfs/dbraw/zinc/80/92/20/818809220.db2.gz CRMFRHTUIOZASC-PBHICJAKSA-N 1 0 385.558 4.196 20 0 GIADRO C[C@@H](NC(=O)C[NH+]1CCC([C@H]2CCCO2)CC1)c1ccc(Cl)cc1Cl ZINC000189147884 823365104 /nfs/dbraw/zinc/36/51/04/823365104.db2.gz PKKQNGIZKRMQIF-FZKQIMNGSA-N 1 0 385.335 4.062 20 0 GIADRO Cc1c(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000022463521 818810481 /nfs/dbraw/zinc/81/04/81/818810481.db2.gz YBCODXQWLSRMGZ-IBGZPJMESA-N 1 0 393.531 4.045 20 0 GIADRO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](Cc2cccc(C(=O)NCc3ccco3)c2)C1 ZINC000460366957 823365466 /nfs/dbraw/zinc/36/54/66/823365466.db2.gz UGEWPSXHFSBGJH-VGSWGCGISA-N 1 0 375.472 4.188 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(NC(=O)C2CCC2)c1)c1ccc2c(c1)OCCCO2 ZINC000122516079 823365816 /nfs/dbraw/zinc/36/58/16/823365816.db2.gz UDSFVQXRGSWIAJ-MRXNPFEDSA-N 1 0 380.488 4.437 20 0 GIADRO CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CCC(F)(F)[C@@H](C)C2)c1 ZINC000460372726 823367618 /nfs/dbraw/zinc/36/76/18/823367618.db2.gz ILGAZFMZQMGDHN-KRWDZBQOSA-N 1 0 381.511 4.495 20 0 GIADRO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000572592276 823366551 /nfs/dbraw/zinc/36/65/51/823366551.db2.gz BNQPSHRMPNNYPH-BQGCOEIASA-N 1 0 385.335 4.336 20 0 GIADRO CC(C)[N@@H+](Cc1ccc(NC(=O)c2ccc(F)cn2)cc1)C[C@@H]1CCCCO1 ZINC000409999752 823367508 /nfs/dbraw/zinc/36/75/08/823367508.db2.gz QJJVYADOGWIGII-FQEVSTJZSA-N 1 0 385.483 4.253 20 0 GIADRO COc1cc(CC(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)ccc1C ZINC000022681423 818842349 /nfs/dbraw/zinc/84/23/49/818842349.db2.gz IMCCVKREHKCAAM-IBGZPJMESA-N 1 0 386.561 4.197 20 0 GIADRO CCCCOc1ccc(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)cc1OC ZINC000022682379 818842744 /nfs/dbraw/zinc/84/27/44/818842744.db2.gz QCUXGZCSYHNRFP-LJQANCHMSA-N 1 0 388.483 4.046 20 0 GIADRO CCc1ccc([C@H](CNC(=O)c2sc(-c3ccccn3)nc2C)[NH+](C)C)cc1 ZINC000022684177 818842914 /nfs/dbraw/zinc/84/29/14/818842914.db2.gz PKWQXSSEHABUQN-IBGZPJMESA-N 1 0 394.544 4.109 20 0 GIADRO CC1CC[NH+](C2CCC(NC(=O)c3c(F)cccc3Br)CC2)CC1 ZINC000122532299 823368027 /nfs/dbraw/zinc/36/80/27/823368027.db2.gz KDUCLILVCHQAHC-UHFFFAOYSA-N 1 0 397.332 4.361 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1)C1CCCCC1 ZINC000058191292 823368291 /nfs/dbraw/zinc/36/82/91/823368291.db2.gz ZGYGQCFORQSICJ-IBGZPJMESA-N 1 0 389.540 4.274 20 0 GIADRO C[NH+](C)C[C@@H](NC(=O)CCCc1ncc(-c2ccccc2)o1)c1ccc(F)cc1 ZINC000572610121 823368904 /nfs/dbraw/zinc/36/89/04/823368904.db2.gz IUYHFUBJKNKEIK-HXUWFJFHSA-N 1 0 395.478 4.223 20 0 GIADRO CCOc1cc(C[NH2+][C@H](CC)c2ccc(C)cc2)ccc1O[C@H](C)C(=O)N(C)C ZINC000022778333 818860120 /nfs/dbraw/zinc/86/01/20/818860120.db2.gz LPDSVPFZLYTTCW-WIYYLYMNSA-N 1 0 398.547 4.490 20 0 GIADRO COc1ccc(C[NH2+][C@@H](C)c2ccc(Br)cc2)c(OC)c1OC ZINC000022783581 818860206 /nfs/dbraw/zinc/86/02/06/818860206.db2.gz DNUKIDJVXODQMI-LBPRGKRZSA-N 1 0 380.282 4.326 20 0 GIADRO CC[C@H]([NH2+]Cc1cc2c(cc1Br)OCO2)c1ccc(OC)cc1 ZINC000022791606 818861290 /nfs/dbraw/zinc/86/12/90/818861290.db2.gz IBBUZABBSKYVRN-INIZCTEOSA-N 1 0 378.266 4.427 20 0 GIADRO CCc1cccc(CC)c1NC(=O)CN1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000022849814 818867324 /nfs/dbraw/zinc/86/73/24/818867324.db2.gz YKQROVTWWHMFQG-UHFFFAOYSA-N 1 0 397.538 4.097 20 0 GIADRO Cc1ccc(-c2ccc(C(=O)N3CCC(OCCC[NH+](C)C)CC3)c(F)c2)cc1 ZINC000177092977 823369631 /nfs/dbraw/zinc/36/96/31/823369631.db2.gz CCEUORNIZYBYOH-UHFFFAOYSA-N 1 0 398.522 4.374 20 0 GIADRO COc1ccc([C@H](CNC(=O)NCc2ccc(C)c(F)c2)[NH+]2CCCCC2)cc1 ZINC000023174447 818905117 /nfs/dbraw/zinc/90/51/17/818905117.db2.gz KFHNWOJFNCJTHZ-QFIPXVFZSA-N 1 0 399.510 4.169 20 0 GIADRO COc1cccc([C@@H](CNC(=O)CCc2ccc(Cl)cc2Cl)[NH+](C)C)c1 ZINC000023195552 818907664 /nfs/dbraw/zinc/90/76/64/818907664.db2.gz LBEIXASXVYISGW-LJQANCHMSA-N 1 0 395.330 4.354 20 0 GIADRO CC[NH+](CC)CCOc1ccc(CNC(=O)c2sc(C(C)C)nc2C)cc1 ZINC000058259789 823372260 /nfs/dbraw/zinc/37/22/60/823372260.db2.gz IOKBSXMZMWHUNV-UHFFFAOYSA-N 1 0 389.565 4.226 20 0 GIADRO CC[NH+](CC)CCOc1ccc(CNC(=O)c2cc3cc(C)ccc3o2)cc1 ZINC000058261202 823372453 /nfs/dbraw/zinc/37/24/53/823372453.db2.gz XPZITJOVEWTUQI-UHFFFAOYSA-N 1 0 380.488 4.392 20 0 GIADRO Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000189187071 823372542 /nfs/dbraw/zinc/37/25/42/823372542.db2.gz FKPKTFNABDSQGO-NHYWBVRUSA-N 1 0 393.409 4.024 20 0 GIADRO C[NH+](C)CCCOC1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000177106998 823373022 /nfs/dbraw/zinc/37/30/22/823373022.db2.gz LFOGPIMKOOUODV-SJORKVTESA-N 1 0 399.362 4.056 20 0 GIADRO CCN(CC)c1ccc(C[NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)cn1 ZINC000572642217 823373881 /nfs/dbraw/zinc/37/38/81/823373881.db2.gz UIQVRQMYNVTUCF-QFIPXVFZSA-N 1 0 378.564 4.215 20 0 GIADRO CC[NH+]1CCC(CNC(=O)N2CCC(Oc3ccc(C(C)C)cc3)CC2)CC1 ZINC000572664378 823378367 /nfs/dbraw/zinc/37/83/67/823378367.db2.gz DBTNWHMRWNKGHE-UHFFFAOYSA-N 1 0 387.568 4.095 20 0 GIADRO COc1cc(C)c(CN2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1OC ZINC000572646710 823374508 /nfs/dbraw/zinc/37/45/08/823374508.db2.gz HEMSQILPNVJUFJ-DEOSSOPVSA-N 1 0 380.532 4.110 20 0 GIADRO CCOc1ccc2c(c1)CN(C(=O)c1ccc(OCC[NH+](CC)CC)cc1)CC2 ZINC000058288440 823374882 /nfs/dbraw/zinc/37/48/82/823374882.db2.gz JYHRLSOHVVDHQD-UHFFFAOYSA-N 1 0 396.531 4.004 20 0 GIADRO COc1ccc([C@@H](CNC(=O)[C@@H](C)Sc2ccc(C)cc2)[NH+]2CCCC2)cc1 ZINC000023487190 818945953 /nfs/dbraw/zinc/94/59/53/818945953.db2.gz NIUDTFXOVFGSLH-XMSQKQJNSA-N 1 0 398.572 4.438 20 0 GIADRO C[C@@H]([NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1)[C@H](C)CO ZINC000572655256 823376668 /nfs/dbraw/zinc/37/66/68/823376668.db2.gz WZRMMPYZQMRQOY-IAGOWNOFSA-N 1 0 383.923 4.358 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000023657410 818971827 /nfs/dbraw/zinc/97/18/27/818971827.db2.gz NEFPLAIIFOHKLH-UHFFFAOYSA-N 1 0 383.923 4.071 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)N1C[C@@H](C)O[C@H](c2ccccc2)C1)c1ccccc1 ZINC000410039582 823377129 /nfs/dbraw/zinc/37/71/29/823377129.db2.gz TYJNVJOXAQFMNT-PTUXOGIPSA-N 1 0 395.547 4.241 20 0 GIADRO O=C(Cc1ccc(Cl)c(Cl)c1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000023738576 818977220 /nfs/dbraw/zinc/97/72/20/818977220.db2.gz SRYBOTOVGVGAKC-IBGZPJMESA-N 1 0 377.315 4.489 20 0 GIADRO COc1cc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)ccc1OCC(C)C ZINC000023738269 818977392 /nfs/dbraw/zinc/97/73/92/818977392.db2.gz YYWFBDVQFWGXLM-OAQYLSRUSA-N 1 0 396.531 4.297 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)CSc1cc(C)ccc1C)[NH+]1CCCC1 ZINC000023982256 819001646 /nfs/dbraw/zinc/00/16/46/819001646.db2.gz FVUHHLRUFJTKQI-HXUWFJFHSA-N 1 0 398.572 4.357 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)CCSc1ccc(C)cc1)[NH+]1CCCC1 ZINC000023982284 819002376 /nfs/dbraw/zinc/00/23/76/819002376.db2.gz OWAMBKOOLSLENI-OAQYLSRUSA-N 1 0 398.572 4.439 20 0 GIADRO O=C(Nc1cccc(COC2CCCCC2)c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000177150509 823383838 /nfs/dbraw/zinc/38/38/38/823383838.db2.gz VPVPLYGCVYSHRQ-HXUWFJFHSA-N 1 0 385.552 4.486 20 0 GIADRO Cc1ccc(-c2nc(CC(=O)NCc3ccc(C[NH+](C)C)cc3)cs2)cc1 ZINC000024067179 819017935 /nfs/dbraw/zinc/01/79/35/819017935.db2.gz DWWYCMRYNMWAHE-UHFFFAOYSA-N 1 0 379.529 4.039 20 0 GIADRO Cc1noc(C2CCC([NH2+]C[C@@H](c3cccc(Cl)c3)N3CCCC3)CC2)n1 ZINC000572672488 823380061 /nfs/dbraw/zinc/38/00/61/823380061.db2.gz MVNJNQUTDFBHQX-GQOXECLESA-N 1 0 388.943 4.484 20 0 GIADRO O=C([C@H](Sc1ccccc1)c1ccccc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000024086725 819021725 /nfs/dbraw/zinc/02/17/25/819021725.db2.gz ZARUVKGYSJBHAH-JOCHJYFZSA-N 1 0 389.524 4.264 20 0 GIADRO CC(=O)c1cccc(OC[C@H](O)C[N@@H+](Cc2ccc(C(C)C)cc2)C2CC2)c1 ZINC000024101420 819024044 /nfs/dbraw/zinc/02/40/44/819024044.db2.gz KVSBIMCCZAWVKQ-HSZRJFAPSA-N 1 0 381.516 4.417 20 0 GIADRO CC(=O)c1cccc(OC[C@@H](O)C[N@@H+](Cc2ccc(C(C)C)cc2)C2CC2)c1 ZINC000024101422 819024071 /nfs/dbraw/zinc/02/40/71/819024071.db2.gz KVSBIMCCZAWVKQ-QHCPKHFHSA-N 1 0 381.516 4.417 20 0 GIADRO COc1ccc([C@H](C)[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)cc1F ZINC000024102501 819024862 /nfs/dbraw/zinc/02/48/62/819024862.db2.gz SUPGTMNFGYFVPD-FZMZJTMJSA-N 1 0 388.266 4.232 20 0 GIADRO CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)c1ccc2cc[nH]c2c1 ZINC000410053293 823380917 /nfs/dbraw/zinc/38/09/17/823380917.db2.gz LZQMEIUDDLSBMF-QFIPXVFZSA-N 1 0 375.516 4.371 20 0 GIADRO CCC(CC)c1cc(C[NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)on1 ZINC000189249055 823381290 /nfs/dbraw/zinc/38/12/90/823381290.db2.gz OHYDXTTWMWFPCH-UHFFFAOYSA-N 1 0 395.503 4.275 20 0 GIADRO COc1ccc([C@H](CNC(=O)c2cccc3c(C)c(C)[nH]c32)[NH+]2CCCC2)cc1 ZINC000024538547 819067893 /nfs/dbraw/zinc/06/78/93/819067893.db2.gz XATRDRCGQHDQQV-QFIPXVFZSA-N 1 0 391.515 4.360 20 0 GIADRO COc1ccc(-c2nc(C)c(C(=O)NC[C@@H](c3ccccc3)[NH+](C)C)s2)cc1 ZINC000024577613 819074679 /nfs/dbraw/zinc/07/46/79/819074679.db2.gz NPIOOOSJKMLOQZ-IBGZPJMESA-N 1 0 395.528 4.160 20 0 GIADRO CC[C@@H](C)Oc1ccc(NC(=O)C(=O)Nc2cccc(C[NH+](CC)CC)c2)cc1 ZINC000189293291 823388809 /nfs/dbraw/zinc/38/88/09/823388809.db2.gz NAFKNVNFUCSTAG-QGZVFWFLSA-N 1 0 397.519 4.283 20 0 GIADRO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000122633352 823384987 /nfs/dbraw/zinc/38/49/87/823384987.db2.gz BYSGAWAOIWHPFT-QZTJIDSGSA-N 1 0 380.513 4.262 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)NC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)cc1 ZINC000572719364 823388580 /nfs/dbraw/zinc/38/85/80/823388580.db2.gz XOGSAWRLDWRIKN-KKSFZXQISA-N 1 0 376.504 4.084 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)C(C)(C)Sc2ccc(Br)cc2)CC[N@@H+]1C ZINC000122673680 823391779 /nfs/dbraw/zinc/39/17/79/823391779.db2.gz BAEWZARZXMDHBS-UKRRQHHQSA-N 1 0 399.398 4.261 20 0 GIADRO COc1cccc([C@H](C)C(=O)N[C@@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)c1 ZINC000410101589 823391969 /nfs/dbraw/zinc/39/19/69/823391969.db2.gz KWSSZZPEHLJBBB-MBSDFSHPSA-N 1 0 394.559 4.388 20 0 GIADRO CCc1ccc(-c2nc(CC(=O)NC[C@H](C)[N@@H+]3CCCC[C@H]3C)cs2)cc1 ZINC000058444153 823392117 /nfs/dbraw/zinc/39/21/17/823392117.db2.gz NOBXAPPPRJGQID-SJORKVTESA-N 1 0 385.577 4.294 20 0 GIADRO Cc1cc(C)n([C@@H](C)CC(=O)N[C@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)n1 ZINC000410107448 823393872 /nfs/dbraw/zinc/39/38/72/823393872.db2.gz VINYQFIRSYCTPF-SIKLNZKXSA-N 1 0 396.579 4.040 20 0 GIADRO CC[C@@H](CNC(=O)c1oc2ccccc2c1C[NH+](C)C)Oc1ccccc1F ZINC000177181047 823392917 /nfs/dbraw/zinc/39/29/17/823392917.db2.gz YKSGAXIMMZTHSH-HNNXBMFYSA-N 1 0 384.451 4.221 20 0 GIADRO COC(=O)[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)c1ccc(F)cc1 ZINC000572758360 823393578 /nfs/dbraw/zinc/39/35/78/823393578.db2.gz OZUYUZLGINUOMQ-JTSKRJEESA-N 1 0 384.495 4.062 20 0 GIADRO COc1ccc(OC)c(C[NH2+][C@H](C)[C@H](OC2CCOCC2)c2ccccc2)c1 ZINC000122682330 823393669 /nfs/dbraw/zinc/39/36/69/823393669.db2.gz DFHPDAFIVTXLNS-HXOBKFHXSA-N 1 0 385.504 4.119 20 0 GIADRO O=C(NCC1CCC(F)(F)CC1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000410098764 823391039 /nfs/dbraw/zinc/39/10/39/823391039.db2.gz YICZRULKESFQEF-IHWFROFDSA-N 1 0 391.506 4.307 20 0 GIADRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N[C@@H](C)c2ccc3ncsc3c2)cc1 ZINC000572739080 823391090 /nfs/dbraw/zinc/39/10/90/823391090.db2.gz PSQSMAFAGZJVFE-KSSFIOAISA-N 1 0 382.533 4.480 20 0 GIADRO Fc1ccc(Cn2cc(CNc3cccc(C[NH+]4CCSCC4)c3)cn2)cc1 ZINC000189332296 823395465 /nfs/dbraw/zinc/39/54/65/823395465.db2.gz LZIQPUOZMOZXNE-UHFFFAOYSA-N 1 0 396.535 4.231 20 0 GIADRO COc1ccc(Cn2cc(NC3CC[NH+]([C@H]4CCC[C@H](C)C4)CC3)cn2)cc1 ZINC000572786889 823398605 /nfs/dbraw/zinc/39/86/05/823398605.db2.gz VKSRHDNQFWOBJK-AVRDEDQJSA-N 1 0 382.552 4.395 20 0 GIADRO COc1ccc(Cn2cc(NC3CC[NH+]([C@@H]4CCC[C@@H](C)C4)CC3)cn2)cc1 ZINC000572786892 823398610 /nfs/dbraw/zinc/39/86/10/823398610.db2.gz VKSRHDNQFWOBJK-XMSQKQJNSA-N 1 0 382.552 4.395 20 0 GIADRO CC(C)c1[nH+]c(CNc2cccc(OCC(=O)N3CCCC3)c2)c2ccccn21 ZINC000572771421 823396080 /nfs/dbraw/zinc/39/60/80/823396080.db2.gz HGZQEDOEROLDPE-UHFFFAOYSA-N 1 0 392.503 4.071 20 0 GIADRO CC(C)(C[NH2+]Cc1ccccc1OCc1ccccn1)c1ccc2c(c1)OCO2 ZINC000058476177 823397226 /nfs/dbraw/zinc/39/72/26/823397226.db2.gz WAAWKIVVZRTWIS-UHFFFAOYSA-N 1 0 390.483 4.457 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)Nc2cc(Cl)ccc2OCC2CCC2)CC[N@@H+]1C ZINC000189341540 823397393 /nfs/dbraw/zinc/39/73/93/823397393.db2.gz RQPZOIXRRUSFKA-WMLDXEAASA-N 1 0 379.932 4.465 20 0 GIADRO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)Cc1cccc(Cl)c1 ZINC000189348558 823398874 /nfs/dbraw/zinc/39/88/74/823398874.db2.gz DGLFFANMVNQTAV-OAHLLOKOSA-N 1 0 378.925 4.073 20 0 GIADRO Clc1cnccc1CN[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000572783497 823398081 /nfs/dbraw/zinc/39/80/81/823398081.db2.gz SAPMXCORQGKISZ-JTHBVZDNSA-N 1 0 377.919 4.493 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)N[C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000058483309 823398065 /nfs/dbraw/zinc/39/80/65/823398065.db2.gz HQQUJOJMGXHOCI-HNAYVOBHSA-N 1 0 395.494 4.229 20 0 GIADRO C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000410130966 823398209 /nfs/dbraw/zinc/39/82/09/823398209.db2.gz AQDOSQJAFWGPJB-XHDPSFHLSA-N 1 0 387.332 4.241 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)[C@H](C)Oc2cccc(C(C)C)c2)CC1 ZINC000410136574 823399363 /nfs/dbraw/zinc/39/93/63/823399363.db2.gz WLZSYFXJVQRSBS-IBGZPJMESA-N 1 0 395.547 4.358 20 0 GIADRO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CCc1ccc(Cl)nc1 ZINC000122722441 823400651 /nfs/dbraw/zinc/40/06/51/823400651.db2.gz FIJPOEDVMNLFMV-GFCCVEGCSA-N 1 0 385.817 4.303 20 0 GIADRO Cc1ccc(Cl)c(O[C@H](C)C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000410143463 823400820 /nfs/dbraw/zinc/40/08/20/823400820.db2.gz QPMNDADKDKKSQI-WBVHZDCISA-N 1 0 392.952 4.431 20 0 GIADRO C[C@@H](NC(=O)NC[C@H](Cc1ccccc1)[NH+](C)C)c1ccc(C(F)(F)F)cc1 ZINC000410145512 823401180 /nfs/dbraw/zinc/40/11/80/823401180.db2.gz MLGMNXPYFADDND-BEFAXECRSA-N 1 0 393.453 4.239 20 0 GIADRO COc1ccccc1C[C@@H]1CCC[N@@H+]1CCC(=O)NCc1ccccc1Cl ZINC000058525491 823403793 /nfs/dbraw/zinc/40/37/93/823403793.db2.gz XKXKQISUDQOWJL-IBGZPJMESA-N 1 0 386.923 4.062 20 0 GIADRO COc1ccc(OCc2ccccn2)c(C[N@@H+]2CCC=C(c3ccncc3)C2)c1 ZINC000572801887 823401661 /nfs/dbraw/zinc/40/16/61/823401661.db2.gz FHEYVQXOQFTFET-UHFFFAOYSA-N 1 0 387.483 4.354 20 0 GIADRO O=C1C[C@@H](C[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)CN1Cc1ccccc1 ZINC000189367031 823401719 /nfs/dbraw/zinc/40/17/19/823401719.db2.gz BHONFYIUCNESLF-INIZCTEOSA-N 1 0 396.840 4.497 20 0 GIADRO Cc1ccc(C)c(OCCC[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)c1 ZINC000058505850 823401722 /nfs/dbraw/zinc/40/17/22/823401722.db2.gz YAZBDUXLTJDNJN-FQEVSTJZSA-N 1 0 382.552 4.270 20 0 GIADRO COc1cc(C)c([C@H](C)[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)cc1OC ZINC000177217422 823402110 /nfs/dbraw/zinc/40/21/10/823402110.db2.gz QQYWOAMDZXJDIY-HNNXBMFYSA-N 1 0 378.513 4.062 20 0 GIADRO COc1ccc([C@@H]([NH2+]C[C@](C)(O)C(F)(F)F)C(C)C)c(Br)c1 ZINC000572805243 823402229 /nfs/dbraw/zinc/40/22/29/823402229.db2.gz KDBMFNPNAAFIEV-KBPBESRZSA-N 1 0 384.236 4.058 20 0 GIADRO COc1ccc(NC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)c(OC)c1 ZINC000058522774 823403413 /nfs/dbraw/zinc/40/34/13/823403413.db2.gz CSXAGTFSGHLHSP-QGZVFWFLSA-N 1 0 397.519 4.400 20 0 GIADRO CN(C(=O)NCC[N@H+](C)Cc1ccc(F)cc1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000460482728 823404149 /nfs/dbraw/zinc/40/41/49/823404149.db2.gz IDXLSYUPYQYPCP-WOVMCDHWSA-N 1 0 389.437 4.020 20 0 GIADRO COc1cc(C[N@H+](C)CCC(=O)N[C@H]2CCCc3ccccc32)ccc1SC ZINC000058527903 823404180 /nfs/dbraw/zinc/40/41/80/823404180.db2.gz NFYFVYAEDAEHBO-FQEVSTJZSA-N 1 0 398.572 4.433 20 0 GIADRO COc1ccc(C[C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3ccc(Cl)cn3)C2)cc1 ZINC000572813589 823404289 /nfs/dbraw/zinc/40/42/89/823404289.db2.gz AQDWBGCCLUQUSD-RDJZCZTQSA-N 1 0 387.911 4.025 20 0 GIADRO COc1ccc2cc(C(=O)NC3CC[NH+](C4CCCCC4)CC3)c(C)nc2c1 ZINC000177229459 823405177 /nfs/dbraw/zinc/40/51/77/823405177.db2.gz SDMBAORIOCWPKD-UHFFFAOYSA-N 1 0 381.520 4.079 20 0 GIADRO CCC[C@@H](CC1CCCC1)C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000460492829 823407038 /nfs/dbraw/zinc/40/70/38/823407038.db2.gz QIEDSSXMVKCXIQ-NRFANRHFSA-N 1 0 377.617 4.050 20 0 GIADRO COc1ccc(NC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)cc1OC1CCCC1 ZINC000058547517 823407303 /nfs/dbraw/zinc/40/73/03/823407303.db2.gz OYUXOXPRXVYNFQ-IAGOWNOFSA-N 1 0 389.540 4.401 20 0 GIADRO Cc1cc(C)n(Cc2ccc(C(=O)NC3CC[NH+](C4CCCCC4)CC3)cc2)n1 ZINC000177247920 823408888 /nfs/dbraw/zinc/40/88/88/823408888.db2.gz ONXPQHNKJFTRGT-UHFFFAOYSA-N 1 0 394.563 4.075 20 0 GIADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1cccnc1SC(F)(F)F ZINC000177242694 823408409 /nfs/dbraw/zinc/40/84/09/823408409.db2.gz GRLUPBMOUFYOMC-UHFFFAOYSA-N 1 0 387.471 4.220 20 0 GIADRO CC[C@@H](NC(=O)C(=O)Nc1ccc(C[NH+](CC)CC)cc1)c1ccc(C)cc1 ZINC000189412798 823411050 /nfs/dbraw/zinc/41/10/50/823411050.db2.gz DOAGUORLVLATHV-OAQYLSRUSA-N 1 0 381.520 4.043 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+]CC(C)(C)Oc2cc(F)cc(F)c2)s1 ZINC000572864845 823411230 /nfs/dbraw/zinc/41/12/30/823411230.db2.gz INIKZZHWKQGVRT-GFCCVEGCSA-N 1 0 384.492 4.427 20 0 GIADRO COc1ccc(C[N@H+](C)[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)c(C)c1OC ZINC000572886182 823413835 /nfs/dbraw/zinc/41/38/35/823413835.db2.gz CLTAQXOORASOHD-GCJKJVERSA-N 1 0 382.548 4.497 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@H](C)c2cc(C)sc2C)cc1 ZINC000189417295 823411855 /nfs/dbraw/zinc/41/18/55/823411855.db2.gz MMOOZLVIRCFCCG-OAHLLOKOSA-N 1 0 387.549 4.023 20 0 GIADRO O=C(CC1CCCC1)N1CCC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000058578952 823412180 /nfs/dbraw/zinc/41/21/80/823412180.db2.gz WWFJOKKBNFOPNN-UHFFFAOYSA-N 1 0 384.442 4.200 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)Nc3ccsc3Cl)CC2)cc1 ZINC000189421813 823412490 /nfs/dbraw/zinc/41/24/90/823412490.db2.gz MKVSPRHBUSWVQN-UHFFFAOYSA-N 1 0 393.940 4.444 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2cccc(OCCF)c2)C1 ZINC000122791365 823412730 /nfs/dbraw/zinc/41/27/30/823412730.db2.gz OXWDRPXEDMUOOY-MSOLQXFVSA-N 1 0 377.504 4.153 20 0 GIADRO CCc1ccc(C[C@H](Cc2ccc(Cl)cc2)[NH2+]CCCN2CCCC2=O)nc1 ZINC000572879041 823412934 /nfs/dbraw/zinc/41/29/34/823412934.db2.gz NNLYWUXHAIBISM-QFIPXVFZSA-N 1 0 399.966 4.053 20 0 GIADRO CCn1c(-c2cc(C)oc2C)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000572849909 823409262 /nfs/dbraw/zinc/40/92/62/823409262.db2.gz NNWQQWOQJVQLKD-LJQANCHMSA-N 1 0 385.556 4.123 20 0 GIADRO COc1cc(F)c(NC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)cc1OC ZINC000122774165 823409941 /nfs/dbraw/zinc/40/99/41/823409941.db2.gz XFUUKXNEVDGRLX-UHFFFAOYSA-N 1 0 393.503 4.008 20 0 GIADRO CC(=O)NCC[C@@H]1CCC[N@H+](Cc2cc(C)c(OCc3ccccn3)c(C)c2)C1 ZINC000572888787 823414486 /nfs/dbraw/zinc/41/44/86/823414486.db2.gz KRVBWOSAWAQINM-NRFANRHFSA-N 1 0 395.547 4.016 20 0 GIADRO C[C@H]1CN(C)CC[C@H]1[N@H+](C)Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000572888998 823414496 /nfs/dbraw/zinc/41/44/96/823414496.db2.gz TXNNLMOBGSFMPU-SMDDNHRTSA-N 1 0 395.263 4.120 20 0 GIADRO C[C@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000572888996 823414509 /nfs/dbraw/zinc/41/45/09/823414509.db2.gz TXNNLMOBGSFMPU-FZMZJTMJSA-N 1 0 395.263 4.120 20 0 GIADRO FC(F)(F)Cc1noc(-c2cccc(C[NH2+]C3CCC4(CCCO4)CC3)c2)n1 ZINC000572891779 823414926 /nfs/dbraw/zinc/41/49/26/823414926.db2.gz SFDSFYCJKDXPMH-UHFFFAOYSA-N 1 0 395.425 4.423 20 0 GIADRO COc1ccc(C[NH2+][C@H](C)[C@H](OC2CCOCC2)c2ccccc2)c(OC)c1 ZINC000122803081 823415072 /nfs/dbraw/zinc/41/50/72/823415072.db2.gz HSFRMWAYNBCXOW-HXOBKFHXSA-N 1 0 385.504 4.119 20 0 GIADRO COc1ccc(C[NH2+][C@@H](C)[C@@H](OC2CCOCC2)c2ccccc2)c(OC)c1 ZINC000122803240 823415171 /nfs/dbraw/zinc/41/51/71/823415171.db2.gz HSFRMWAYNBCXOW-GAJHUEQPSA-N 1 0 385.504 4.119 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)NCc1cc2ccccc2[nH]1 ZINC000058616744 823417482 /nfs/dbraw/zinc/41/74/82/823417482.db2.gz BAYZQWRECQUYLI-UHFFFAOYSA-N 1 0 380.492 4.210 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1c(Cl)nccc1C(F)(F)F ZINC000122827375 823419375 /nfs/dbraw/zinc/41/93/75/823419375.db2.gz QNOVCSPFUOJALG-UHFFFAOYSA-N 1 0 397.828 4.148 20 0 GIADRO CSC[C@@H]([NH2+]C[C@]1(N(C)C)CCSC1)c1ccc(C(F)(F)F)cc1 ZINC000572912149 823418479 /nfs/dbraw/zinc/41/84/79/823418479.db2.gz MRZMEPZKCRTCEX-HZPDHXFCSA-N 1 0 378.529 4.136 20 0 GIADRO Cc1ccc([C@H](CNC(=O)N(CCC(F)(F)F)CC2CC2)[NH+]2CCCC2)o1 ZINC000177285255 823421439 /nfs/dbraw/zinc/42/14/39/823421439.db2.gz HRZVXGVQISYWJD-INIZCTEOSA-N 1 0 387.446 4.099 20 0 GIADRO CCc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3cccc(Br)c3)C2)ncn1 ZINC000410212317 823421471 /nfs/dbraw/zinc/42/14/71/823421471.db2.gz BYYSEIZDNJPIAM-KBXCAEBGSA-N 1 0 389.341 4.121 20 0 GIADRO FC(F)(F)CN1CCC(C[NH2+]Cc2csc(COc3ccccc3)n2)CC1 ZINC000189474311 823424706 /nfs/dbraw/zinc/42/47/06/823424706.db2.gz WMXCUSHKGIDPJT-UHFFFAOYSA-N 1 0 399.482 4.086 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCCc2ccccc21)c1cccc(OC)c1 ZINC000058648094 823424150 /nfs/dbraw/zinc/42/41/50/823424150.db2.gz DTRUAYIBWWCTOL-DHIUTWEWSA-N 1 0 380.532 4.314 20 0 GIADRO COc1ccc(CC[NH2+][C@@H](C)c2cccc(Br)c2)c(OC)c1OC ZINC000410223318 823424434 /nfs/dbraw/zinc/42/44/34/823424434.db2.gz CXDZQXBDFKIVII-ZDUSSCGKSA-N 1 0 394.309 4.368 20 0 GIADRO Cc1cccc(CC[N@@H+]2CCC[C@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)c1 ZINC000572947817 823425261 /nfs/dbraw/zinc/42/52/61/823425261.db2.gz MGUIMXRAZWNZBU-NRFANRHFSA-N 1 0 388.515 4.393 20 0 GIADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C2(Cc3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC000189476515 823425450 /nfs/dbraw/zinc/42/54/50/823425450.db2.gz BSQKBWSLTAWEHR-KRWDZBQOSA-N 1 0 398.469 4.145 20 0 GIADRO CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1csc(-c2ccoc2)n1 ZINC000189477050 823425664 /nfs/dbraw/zinc/42/56/64/823425664.db2.gz VYHYKJVYUAAXCO-HZPDHXFCSA-N 1 0 377.510 4.329 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1cccc(OCCF)c1 ZINC000122865383 823425828 /nfs/dbraw/zinc/42/58/28/823425828.db2.gz VZMKOANODZQALQ-UTKZUKDTSA-N 1 0 385.483 4.067 20 0 GIADRO COc1cc(NC(=O)CC[NH2+][C@@H]2CC[C@H]3CCC[C@H]3C2)c(OC)cc1Cl ZINC000572953213 823426304 /nfs/dbraw/zinc/42/63/04/823426304.db2.gz DIXYNGAMMZLVDC-QLFBSQMISA-N 1 0 380.916 4.244 20 0 GIADRO COc1ccc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1OC(F)F ZINC000122869869 823426399 /nfs/dbraw/zinc/42/63/99/823426399.db2.gz XPMGSVVCHTXNJX-INIZCTEOSA-N 1 0 390.430 4.147 20 0 GIADRO Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+][C@H]1CCN(C(C)(C)C)C1=O ZINC000572959964 823426927 /nfs/dbraw/zinc/42/69/27/823426927.db2.gz LCLRZXNHYMVYDB-WBMJQRKESA-N 1 0 375.513 4.308 20 0 GIADRO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000122892704 823429954 /nfs/dbraw/zinc/42/99/54/823429954.db2.gz ZBOXRSOGVARPJR-KBPBESRZSA-N 1 0 380.410 4.349 20 0 GIADRO COc1ccc(C[NH+](C)C)cc1NC(=O)N[C@@]1(c2ccc(Cl)cc2)C[C@@H]1C ZINC000572987248 823430367 /nfs/dbraw/zinc/43/03/67/823430367.db2.gz VVTLTKSPCCNFQT-QKKBWIMNSA-N 1 0 387.911 4.467 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CC(C)(C)c2ccc3c(c2)OCCO3)cc1NC(C)=O ZINC000122895960 823430669 /nfs/dbraw/zinc/43/06/69/823430669.db2.gz BAIVTJQSFZGZSK-HNNXBMFYSA-N 1 0 398.503 4.053 20 0 GIADRO CCCn1c(C[NH2+]CC2=CCN(C(=O)OC(C)(C)C)CC2)nc2ccccc21 ZINC000189498172 823431478 /nfs/dbraw/zinc/43/14/78/823431478.db2.gz UPDCEZJMBMTJOE-UHFFFAOYSA-N 1 0 384.524 4.103 20 0 GIADRO COc1cccc(Cl)c1C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000573007370 823432764 /nfs/dbraw/zinc/43/27/64/823432764.db2.gz AGMVIFXMWYWGGG-HNNXBMFYSA-N 1 0 392.952 4.313 20 0 GIADRO C[NH+](C)Cc1ccccc1NC(=O)c1cccc(NC(=O)c2cccs2)c1 ZINC000024643140 819858477 /nfs/dbraw/zinc/85/84/77/819858477.db2.gz SKPUEXCQARNWGD-UHFFFAOYSA-N 1 0 379.485 4.314 20 0 GIADRO C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000024666478 819862014 /nfs/dbraw/zinc/86/20/14/819862014.db2.gz AKBCOGGNWVQFEC-FUHWJXTLSA-N 1 0 395.478 4.193 20 0 GIADRO Cc1cc(C[NH2+]Cc2ccccc2OCC(=O)N(C)C)ccc1-c1ccccc1 ZINC000189508634 823433787 /nfs/dbraw/zinc/43/37/87/823433787.db2.gz QXIWKWQGTCRXTC-UHFFFAOYSA-N 1 0 388.511 4.419 20 0 GIADRO COCCc1ccccc1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000189514857 823435175 /nfs/dbraw/zinc/43/51/75/823435175.db2.gz LOUYSNXPJCCPHV-FRIKZZABSA-N 1 0 393.531 4.193 20 0 GIADRO Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1ccccc1C[NH+](C)C ZINC000024809176 819880028 /nfs/dbraw/zinc/88/00/28/819880028.db2.gz XPKCGMVMUBHZPT-UHFFFAOYSA-N 1 0 399.491 4.484 20 0 GIADRO C[C@H](Oc1ccccc1F)C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000024898093 819891256 /nfs/dbraw/zinc/89/12/56/819891256.db2.gz IZPMBVSPITZOEM-SFHVURJKSA-N 1 0 384.495 4.141 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)CC[N@@H+]1C ZINC000177331767 823436127 /nfs/dbraw/zinc/43/61/27/823436127.db2.gz CCRCDSIGAADOQO-OXJNMPFZSA-N 1 0 386.540 4.152 20 0 GIADRO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000573027250 823436113 /nfs/dbraw/zinc/43/61/13/823436113.db2.gz SJVAWHBAFPPYEP-UFYCRDLUSA-N 1 0 398.497 4.487 20 0 GIADRO CC[NH+](CC)[C@H](C(=O)N1CCC[C@H](c2ncc3n2CCCC3)C1)c1ccccc1 ZINC000410256967 823436315 /nfs/dbraw/zinc/43/63/15/823436315.db2.gz PWWINTJJMQYMIJ-UNMCSNQZSA-N 1 0 394.563 4.009 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)c2cccc(NC(=O)[C@@H]3C[C@H]3C)c2)c1 ZINC000024928194 819896358 /nfs/dbraw/zinc/89/63/58/819896358.db2.gz HYKSCZARURDGHL-IIBYNOLFSA-N 1 0 379.504 4.375 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)N1CCc2ccccc2C1 ZINC000024976878 819903788 /nfs/dbraw/zinc/90/37/88/819903788.db2.gz APIHXSADPJEOAR-UHFFFAOYSA-N 1 0 383.923 4.072 20 0 GIADRO O[C@@H](C[C@H]1CCCCC[N@@H+]1CCOCC(F)(F)C(F)F)c1cccs1 ZINC000189523362 823437225 /nfs/dbraw/zinc/43/72/25/823437225.db2.gz KWKUIZZWLUTJKK-KGLIPLIRSA-N 1 0 383.451 4.333 20 0 GIADRO C[C@@H]1CCCC[C@H]1CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000573035934 823437474 /nfs/dbraw/zinc/43/74/74/823437474.db2.gz GKIVDEHUROTHOU-AKIFATBCSA-N 1 0 398.591 4.248 20 0 GIADRO CC[C@H](NC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C)c1ccccc1OC(F)F ZINC000573033620 823437641 /nfs/dbraw/zinc/43/76/41/823437641.db2.gz MVIHPSQTDLFNIL-UXLLHSPISA-N 1 0 381.467 4.007 20 0 GIADRO CC[C@H](NC(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C)c1ccccc1OC(F)F ZINC000573033619 823437648 /nfs/dbraw/zinc/43/76/48/823437648.db2.gz MVIHPSQTDLFNIL-INMHGKMJSA-N 1 0 381.467 4.007 20 0 GIADRO C[C@@H](NC(C)(C)C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC000177335355 823438072 /nfs/dbraw/zinc/43/80/72/823438072.db2.gz KMZNAXNSDDOIQL-QGZVFWFLSA-N 1 0 375.557 4.105 20 0 GIADRO CC(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000460570477 823438114 /nfs/dbraw/zinc/43/81/14/823438114.db2.gz DJUUGPKGPBILHF-OAQYLSRUSA-N 1 0 399.558 4.119 20 0 GIADRO O=C(NCc1ccccc1)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000025103260 819929232 /nfs/dbraw/zinc/92/92/32/819929232.db2.gz DRGBYRDWSOPJKL-UHFFFAOYSA-N 1 0 391.437 4.123 20 0 GIADRO C[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(COCC3CC3)c2)[C@@H]1c1ccccc1 ZINC000189532450 823438704 /nfs/dbraw/zinc/43/87/04/823438704.db2.gz GCVCJNJVLTXLIS-YADHBBJMSA-N 1 0 379.504 4.180 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1cccc(CSc2nccn2C)c1 ZINC000177336712 823438777 /nfs/dbraw/zinc/43/87/77/823438777.db2.gz KCWMTQXQCWUVSO-UHFFFAOYSA-N 1 0 394.544 4.335 20 0 GIADRO CNC(=O)c1ccc(C[N@H+](Cc2c(C)cc(C)c(C(C)=O)c2C)C2CC2)cc1 ZINC000025191455 819941329 /nfs/dbraw/zinc/94/13/29/819941329.db2.gz NKCGWBUOVRLDOF-UHFFFAOYSA-N 1 0 378.516 4.339 20 0 GIADRO CC(C)(C)OC(=O)N1CCC([NH2+]C[C@H](O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000177345905 823441204 /nfs/dbraw/zinc/44/12/04/823441204.db2.gz MVRHQOUQSROAPF-IBGZPJMESA-N 1 0 376.541 4.007 20 0 GIADRO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]Cc1ccc2cnn(C)c2c1 ZINC000573054329 823441191 /nfs/dbraw/zinc/44/11/91/823441191.db2.gz QIGLRNSRYDZBQV-CYBMUJFWSA-N 1 0 390.409 4.099 20 0 GIADRO COc1ccc([C@H]2CCCCC[N@@H+]2C[C@@H](O)COc2cccc(C(C)=O)c2)cc1 ZINC000025302207 819958194 /nfs/dbraw/zinc/95/81/94/819958194.db2.gz PDJZDQCQJKKBQC-ZJSXRUAMSA-N 1 0 397.515 4.255 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)COc1ccccc1Cc1ccccc1)c1ccsc1 ZINC000025330172 819963955 /nfs/dbraw/zinc/96/39/55/819963955.db2.gz RFNACCYSDTWLQJ-OAQYLSRUSA-N 1 0 394.540 4.137 20 0 GIADRO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+]([C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)C1 ZINC000573057773 823441925 /nfs/dbraw/zinc/44/19/25/823441925.db2.gz WRZTURVRFXZIPO-VGSWGCGISA-N 1 0 385.508 4.326 20 0 GIADRO CCCCC1CCC(C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)CC1 ZINC000058738015 823441977 /nfs/dbraw/zinc/44/19/77/823441977.db2.gz JODORHWJCLXMBH-UHFFFAOYSA-N 1 0 387.524 4.091 20 0 GIADRO C[C@@H]([NH2+]CCC(=O)NC(=O)Nc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000025366454 819970653 /nfs/dbraw/zinc/97/06/53/819970653.db2.gz IQQIXZCMPAGCCL-CYBMUJFWSA-N 1 0 379.382 4.094 20 0 GIADRO O=C(CCc1ncc(-c2ccccc2)o1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000025384090 819973615 /nfs/dbraw/zinc/97/36/15/819973615.db2.gz YZPLSXAIUWZOKG-GOSISDBHSA-N 1 0 395.528 4.289 20 0 GIADRO Cc1ccc2nc(C)c(C(=O)NC[C@H](c3cccs3)[NH+]3CCCC3)cc2c1 ZINC000025383710 819973676 /nfs/dbraw/zinc/97/36/76/819973676.db2.gz LNCAXDXEPJFHFU-HXUWFJFHSA-N 1 0 379.529 4.480 20 0 GIADRO Cc1nc(-c2ccccc2)c(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)s1 ZINC000025382649 819973819 /nfs/dbraw/zinc/97/38/19/819973819.db2.gz JGJLPWVEMJHGTM-IBGZPJMESA-N 1 0 379.529 4.021 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1CCN(c2ccc(C(C)C)cc2)C1=O ZINC000177366091 823446398 /nfs/dbraw/zinc/44/63/98/823446398.db2.gz AQHKEDWEEPRDGL-OAQYLSRUSA-N 1 0 393.531 4.172 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1Cl)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177351578 823442929 /nfs/dbraw/zinc/44/29/29/823442929.db2.gz AHGLNOUWETYSGD-STQMWFEESA-N 1 0 384.904 4.141 20 0 GIADRO Cc1sc(-c2ccco2)nc1C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000025464773 819985824 /nfs/dbraw/zinc/98/58/24/819985824.db2.gz ITRWETZKJLOTIY-UHFFFAOYSA-N 1 0 395.528 4.278 20 0 GIADRO CO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)C12CCC2 ZINC000573070381 823443587 /nfs/dbraw/zinc/44/35/87/823443587.db2.gz PNDRMZZNHPQRNC-CWFSZBLJSA-N 1 0 377.550 4.011 20 0 GIADRO NC(=O)[C@@H](NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000025501769 819992105 /nfs/dbraw/zinc/99/21/05/819992105.db2.gz WOIMCRXZMOOAKS-VWLOTQADSA-N 1 0 399.538 4.266 20 0 GIADRO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC000025545842 820001438 /nfs/dbraw/zinc/00/14/38/820001438.db2.gz WQKIQLCGCFLVHZ-IBGZPJMESA-N 1 0 393.531 4.190 20 0 GIADRO C[C@H](CNC(=O)CCCc1c[nH]c2ccccc12)[N@@H+]1CCc2ccccc2C1 ZINC000025633284 820008887 /nfs/dbraw/zinc/00/88/87/820008887.db2.gz SSNBQYCYDHSTPD-GOSISDBHSA-N 1 0 375.516 4.054 20 0 GIADRO C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000573082586 823445207 /nfs/dbraw/zinc/44/52/07/823445207.db2.gz KKUBWEHMMJKRGS-LBPRGKRZSA-N 1 0 397.466 4.446 20 0 GIADRO Cc1ccc([C@@H](OC[C@H](O)C[NH2+]CC2CC(F)(F)C2)c2ccccc2)cc1 ZINC000573083662 823445584 /nfs/dbraw/zinc/44/55/84/823445584.db2.gz HHJYRYWXSIOSOZ-RTWAWAEBSA-N 1 0 375.459 4.097 20 0 GIADRO CC[C@@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1cc(F)ccc1F ZINC000177364463 823445835 /nfs/dbraw/zinc/44/58/35/823445835.db2.gz WKEGCTLCGUNTRR-BFUOFWGJSA-N 1 0 382.476 4.017 20 0 GIADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2cc(F)ccc2C)CC1 ZINC000025804632 820026658 /nfs/dbraw/zinc/02/66/58/820026658.db2.gz JODMXXCEYPQVRR-UHFFFAOYSA-N 1 0 375.875 4.182 20 0 GIADRO CC(=O)c1c(C)cc(C)c(C[NH+]2CCC(NC(=O)c3ccccc3)CC2)c1C ZINC000025828030 820029327 /nfs/dbraw/zinc/02/93/27/820029327.db2.gz AOEFRYFOLDOFLA-UHFFFAOYSA-N 1 0 378.516 4.209 20 0 GIADRO Cc1ccc(-n2cc(C[NH2+]CCC3CC(O)C3)c(-c3ccc(F)cc3)n2)cc1 ZINC000573098474 823446913 /nfs/dbraw/zinc/44/69/13/823446913.db2.gz PZWDZZQQTXULID-UHFFFAOYSA-N 1 0 379.479 4.237 20 0 GIADRO COc1cc(NC2CC[NH+](Cc3cccc4cccnc43)CC2)cc(OC)c1 ZINC000177370170 823447293 /nfs/dbraw/zinc/44/72/93/823447293.db2.gz RNAOARDEPZQXLA-UHFFFAOYSA-N 1 0 377.488 4.329 20 0 GIADRO C[C@@H]([NH2+]Cc1cccnc1Oc1cccc(S(C)(=O)=O)c1)C1CCCCC1 ZINC000177369917 823447361 /nfs/dbraw/zinc/44/73/61/823447361.db2.gz FCLUCUMHAYOAPL-MRXNPFEDSA-N 1 0 388.533 4.336 20 0 GIADRO CC(C)(CNC(=O)CCC(=O)c1ccc(Cl)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000025897604 820036415 /nfs/dbraw/zinc/03/64/15/820036415.db2.gz QAAFMOOAVSXZAI-UHFFFAOYSA-N 1 0 398.934 4.256 20 0 GIADRO CN1CCC[C@@H](C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)[C@H]1c1cccs1 ZINC000177371443 823447692 /nfs/dbraw/zinc/44/76/92/823447692.db2.gz POXLOFNZVMRORZ-LPHOPBHVSA-N 1 0 393.597 4.120 20 0 GIADRO OC[C@H](C[NH2+][C@@H](C[C@H]1CCCO1)c1ccc(F)cc1)c1ccccc1Cl ZINC000573100871 823447699 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GIADRO COc1ccc2ccccc2c1CNC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000026150774 820064572 /nfs/dbraw/zinc/06/45/72/820064572.db2.gz LXCBWICDZGUKEI-LJQANCHMSA-N 1 0 383.517 4.012 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)NC(=O)Nc2cccc(OCCF)c2)cc1 ZINC000123024882 823449781 /nfs/dbraw/zinc/44/97/81/823449781.db2.gz HGVMUBCYYZSLTC-HNNXBMFYSA-N 1 0 382.439 4.412 20 0 GIADRO C[C@H](CNC(=O)N[C@@H](C)c1cc2ccccc2o1)[N@@H+]1CCc2ccccc2C1 ZINC000026174075 820067080 /nfs/dbraw/zinc/06/70/80/820067080.db2.gz VTJQZWMDGARESN-SJORKVTESA-N 1 0 377.488 4.240 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(C(C)(C)C)cc2)c1 ZINC000026193521 820068213 /nfs/dbraw/zinc/06/82/13/820068213.db2.gz RCAPQKSDMWJRJA-MRXNPFEDSA-N 1 0 381.520 4.402 20 0 GIADRO CN(C)[C@@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1)c1ccccc1 ZINC000026304233 820080017 /nfs/dbraw/zinc/08/00/17/820080017.db2.gz SICNSUCQYQSYMO-DEOSSOPVSA-N 1 0 397.526 4.327 20 0 GIADRO Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]C[C@@H](c1ccco1)N(C)C ZINC000026306750 820080617 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C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000026485726 820103995 /nfs/dbraw/zinc/10/39/95/820103995.db2.gz ZEDMUYRNDIKWAK-CRAIPNDOSA-N 1 0 383.517 4.039 20 0 GIADRO Cc1ccc(CCC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)cc1Cl ZINC000026620903 820123472 /nfs/dbraw/zinc/12/34/72/820123472.db2.gz WAICGYDQJDUOQH-UHFFFAOYSA-N 1 0 385.939 4.280 20 0 GIADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)Nc1cnn(-c2ccccc2)c1C(F)(F)F ZINC000573143670 823454878 /nfs/dbraw/zinc/45/48/78/823454878.db2.gz WSBGXNWYCITMRQ-CQSZACIVSA-N 1 0 397.445 4.133 20 0 GIADRO CCCN(C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000573145026 823455013 /nfs/dbraw/zinc/45/50/13/823455013.db2.gz KHDNEBBLGNKXGF-YSFYHYPLSA-N 1 0 399.579 4.059 20 0 GIADRO O=C(C[NH2+]C1CCC(C(F)(F)F)CC1)Nc1ccc(Br)cc1 ZINC000123059292 823455251 /nfs/dbraw/zinc/45/52/51/823455251.db2.gz ABIUJSQZNZPOHW-UHFFFAOYSA-N 1 0 379.220 4.098 20 0 GIADRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1cc2cc(Br)ccc2[nH]1 ZINC000177408000 823455271 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CO[C@@H](C)c1nc(C)c(C(=O)N(CC[NH+]2CCCCCC2)C2CCC2)s1 ZINC000573158245 823456919 /nfs/dbraw/zinc/45/69/19/823456919.db2.gz QTTRIMFMBPZEMC-INIZCTEOSA-N 1 0 379.570 4.030 20 0 GIADRO CCOCC(C)(C)C[NH2+][C@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000573162805 823457461 /nfs/dbraw/zinc/45/74/61/823457461.db2.gz SMWMURFLNUKNJI-OAQYLSRUSA-N 1 0 389.561 4.140 20 0 GIADRO CCOCC(C)(C)C[NH2+][C@@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000573162804 823457487 /nfs/dbraw/zinc/45/74/87/823457487.db2.gz SMWMURFLNUKNJI-NRFANRHFSA-N 1 0 389.561 4.140 20 0 GIADRO COC(=O)[C@H](C)[C@H]([NH2+]CC(=O)Nc1c(Cl)cccc1Cl)c1ccccc1 ZINC000177418310 823457858 /nfs/dbraw/zinc/45/78/58/823457858.db2.gz QPLLIWHUBAXHHY-PXAZEXFGSA-N 1 0 395.286 4.072 20 0 GIADRO CC(C)(C(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccc(Br)cc1 ZINC000177422331 823458900 /nfs/dbraw/zinc/45/89/00/823458900.db2.gz XWJXIFCBMKUHRG-UHFFFAOYSA-N 1 0 393.369 4.250 20 0 GIADRO CC(C)Cn1c(C2CC2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000460626411 823459944 /nfs/dbraw/zinc/45/99/44/823459944.db2.gz DPLRSBSWZQFMFF-NQIIRXRSSA-N 1 0 381.568 4.301 20 0 GIADRO Cc1c2ccccc2sc1C(=O)C(C(=S)NC1CC1)[n+]1ccc(C)cc1 ZINC000027060274 820187198 /nfs/dbraw/zinc/18/71/98/820187198.db2.gz ALSWGKNSWZPICR-UHFFFAOYSA-O 1 0 381.546 4.496 20 0 GIADRO C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1ccc(OC)c(NC(=O)C2CCCCC2)c1 ZINC000573203403 823464823 /nfs/dbraw/zinc/46/48/23/823464823.db2.gz DUYHCLYJQLYEBJ-GOSISDBHSA-N 1 0 389.540 4.177 20 0 GIADRO COC[C@@H]1CCC[N@H+](Cc2csc(-c3ccc(Br)cc3)n2)C1 ZINC000177428919 823460197 /nfs/dbraw/zinc/46/01/97/823460197.db2.gz HZTKEKVNKRYELU-CYBMUJFWSA-N 1 0 381.339 4.431 20 0 GIADRO CCOc1ccc(/C=C(\C#N)C(=O)NC[C@H](c2ccccc2)[NH+](CC)CC)cc1 ZINC000027088138 820192497 /nfs/dbraw/zinc/19/24/97/820192497.db2.gz IFLOCCIAWPZKRM-BTZCDPCDSA-N 1 0 391.515 4.192 20 0 GIADRO CC(=O)N(c1nc(CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cs1)c1ccc(C)cc1 ZINC000123089540 823460500 /nfs/dbraw/zinc/46/05/00/823460500.db2.gz QGUICFNAPPMHAG-OXQOHEQNSA-N 1 0 386.565 4.051 20 0 GIADRO O[C@]1(C[NH2+]Cc2ccccc2OCc2ccccn2)CCC[C@H](C(F)(F)F)C1 ZINC000189621816 823460763 /nfs/dbraw/zinc/46/07/63/823460763.db2.gz FOHPKBMHGGCIMR-FXAWDEMLSA-N 1 0 394.437 4.234 20 0 GIADRO Cc1cc(C)n(-c2ccc(C(=O)Nc3cccc(C[NH+]4CCCCC4)c3)cn2)n1 ZINC000027143025 820200694 /nfs/dbraw/zinc/20/06/94/820200694.db2.gz UKFVBUIXULYNKM-UHFFFAOYSA-N 1 0 389.503 4.122 20 0 GIADRO O=C(C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O)Nc1ccc(Oc2ccccc2)cc1 ZINC000573177090 823461027 /nfs/dbraw/zinc/46/10/27/823461027.db2.gz WPQQDXIPDLIBBW-YPAWHYETSA-N 1 0 380.488 4.043 20 0 GIADRO COc1ccccc1[C@@H](O)C[NH2+]Cc1c(C)nn(Cc2ccc(Cl)cc2)c1C ZINC000123093212 823461057 /nfs/dbraw/zinc/46/10/57/823461057.db2.gz MUTLMWZHNFNYSI-NRFANRHFSA-N 1 0 399.922 4.033 20 0 GIADRO CC1CN(C[C@H]2CCC3(CCCC3)O2)CC[N@H+](C[C@H]2CCC3(CCCC3)O2)C1 ZINC000573177300 823461119 /nfs/dbraw/zinc/46/11/19/823461119.db2.gz OZCKLRSPGIJMFR-FGZHOGPDSA-N 1 0 390.612 4.224 20 0 GIADRO CC[C@@H](NC(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1cccs1 ZINC000177435235 823461296 /nfs/dbraw/zinc/46/12/96/823461296.db2.gz OJRJKZACKSQIEL-ZIFCJYIRSA-N 1 0 393.597 4.120 20 0 GIADRO COc1ccccc1C(=O)C(C(=S)Nc1ccc(F)cc1)[n+]1ccccc1 ZINC000027194136 820208428 /nfs/dbraw/zinc/20/84/28/820208428.db2.gz DXIHHFIAHDRTGA-UHFFFAOYSA-O 1 0 381.452 4.173 20 0 GIADRO Cc1ccc(C(=O)C2CC[NH+](C[C@@H](O)COc3c(C)cccc3C)CC2)c(C)c1 ZINC000027211663 820210326 /nfs/dbraw/zinc/21/03/26/820210326.db2.gz YGQHBCADWZZPEU-JOCHJYFZSA-N 1 0 395.543 4.255 20 0 GIADRO Clc1ccc(OCc2cccnc2)c(C[NH2+]C[C@H]2Cc3ccccc3O2)c1 ZINC000027220283 820211520 /nfs/dbraw/zinc/21/15/20/820211520.db2.gz VMXKXIPUYVRBSG-HXUWFJFHSA-N 1 0 380.875 4.407 20 0 GIADRO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC000123097278 823461822 /nfs/dbraw/zinc/46/18/22/823461822.db2.gz OHHRHXCAIVABQP-OAQYLSRUSA-N 1 0 387.886 4.164 20 0 GIADRO O[C@@]1(C[NH2+]Cc2c[nH]nc2-c2cccc(Cl)c2)CCC[C@H](C(F)(F)F)C1 ZINC000189625398 823461876 /nfs/dbraw/zinc/46/18/76/823461876.db2.gz IPAOIEARIMQJLC-YOEHRIQHSA-N 1 0 387.833 4.303 20 0 GIADRO O[C@]1(C[NH2+]Cc2cc(Br)ccc2F)CCC[C@@H](C(F)(F)F)C1 ZINC000189628182 823462134 /nfs/dbraw/zinc/46/21/34/823462134.db2.gz XKCJQARLIUNDRB-BXUZGUMPSA-N 1 0 384.211 4.161 20 0 GIADRO O=C(c1ccc(Cl)cc1)N1CCC[N@H+](CCCCC2CCOCC2)CC1 ZINC000410330298 823465089 /nfs/dbraw/zinc/46/50/89/823465089.db2.gz MYSBDHIFELWTCJ-UHFFFAOYSA-N 1 0 378.944 4.085 20 0 GIADRO CCCCNC(=S)C(C(=O)c1ccc2c(c1)CCO2)[n+]1ccc(CCC)cc1 ZINC000027321964 820224313 /nfs/dbraw/zinc/22/43/13/820224313.db2.gz QIMQAUBTIRADRG-UHFFFAOYSA-O 1 0 397.564 4.190 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccccc1COc1ccccc1 ZINC000027336419 820226416 /nfs/dbraw/zinc/22/64/16/820226416.db2.gz NZKXHAUTCGEAJQ-QFIPXVFZSA-N 1 0 390.483 4.426 20 0 GIADRO COc1cccc([C@@H](CNC(=O)COc2ccccc2C(C)C)[NH+]2CCCC2)c1 ZINC000027340424 820227046 /nfs/dbraw/zinc/22/70/46/820227046.db2.gz DBYXKZMXAHVLPP-JOCHJYFZSA-N 1 0 396.531 4.151 20 0 GIADRO COc1cccc([C@@H](CNC(=O)CCc2ccc(C)cc2C)[NH+]2CCCC2)c1 ZINC000027342678 820227951 /nfs/dbraw/zinc/22/79/51/820227951.db2.gz DBTMTTLTTRXBNF-HSZRJFAPSA-N 1 0 380.532 4.198 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)/C=C/c2ccc3ccc(Cl)cc3n2)CC1 ZINC000058861026 823463414 /nfs/dbraw/zinc/46/34/14/823463414.db2.gz XKJOHJJZDQCSBP-CMDGGOBGSA-N 1 0 385.939 4.480 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1ccnc(N2CCCCC2)c1)CC3 ZINC000123108564 823463594 /nfs/dbraw/zinc/46/35/94/823463594.db2.gz WIYZJHQPIDXFQH-SFHVURJKSA-N 1 0 390.531 4.209 20 0 GIADRO CCCc1ccc([C@H]([NH2+]CC(=O)Nc2cccc(C(=O)N(C)C)c2)C(C)C)cc1 ZINC000027422931 820242687 /nfs/dbraw/zinc/24/26/87/820242687.db2.gz WHWNFEUXUFBDCG-HSZRJFAPSA-N 1 0 395.547 4.266 20 0 GIADRO CCCOc1ccc(C[NH2+]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)cc1OC ZINC000189636685 823463912 /nfs/dbraw/zinc/46/39/12/823463912.db2.gz DNBWTVKSGKJUKG-MAUKXSAKSA-N 1 0 375.431 4.057 20 0 GIADRO CCCc1cc[n+](C(C(=O)c2ccccc2)C(=S)NCCCSC)cc1 ZINC000027480959 820249967 /nfs/dbraw/zinc/24/99/67/820249967.db2.gz BELNRYPWIFMHDF-UHFFFAOYSA-O 1 0 387.594 4.208 20 0 GIADRO C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000177427448 823459879 /nfs/dbraw/zinc/45/98/79/823459879.db2.gz SFZXXBONIKIBKU-ZDUSSCGKSA-N 1 0 385.335 4.284 20 0 GIADRO Cc1nc(-c2cccs2)sc1C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000027584972 820263837 /nfs/dbraw/zinc/26/38/37/820263837.db2.gz QPLWXMTULPMBKC-INIZCTEOSA-N 1 0 385.558 4.083 20 0 GIADRO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000573207439 823465624 /nfs/dbraw/zinc/46/56/24/823465624.db2.gz WDRVFTWIGSDEEJ-OXQOHEQNSA-N 1 0 375.463 4.158 20 0 GIADRO Cc1cc(C(=O)CCC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)c(C)s1 ZINC000058881056 823465737 /nfs/dbraw/zinc/46/57/37/823465737.db2.gz ZKJOMDYYIPNDGS-UHFFFAOYSA-N 1 0 390.593 4.442 20 0 GIADRO C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000058880683 823465760 /nfs/dbraw/zinc/46/57/60/823465760.db2.gz BOPPAZKUXUGRNY-KRWDZBQOSA-N 1 0 378.944 4.222 20 0 GIADRO Cc1cc(Cl)ccc1O[C@H](C)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000027602900 820265780 /nfs/dbraw/zinc/26/57/80/820265780.db2.gz LWOMWGZNTSOALU-NVXWUHKLSA-N 1 0 392.952 4.431 20 0 GIADRO COCc1c2ccccc2oc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000027603532 820266293 /nfs/dbraw/zinc/26/62/93/820266293.db2.gz IUISVHPQYAFLBV-KRWDZBQOSA-N 1 0 384.501 4.208 20 0 GIADRO O=C(CCC(=O)c1ccc2c(c1)CCC2)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000027607185 820266840 /nfs/dbraw/zinc/26/68/40/820266840.db2.gz XSQBCAMCUQLHOD-HXUWFJFHSA-N 1 0 396.556 4.153 20 0 GIADRO COc1ccc([C@H](CNC(=O)CCc2ccc(F)cc2)[NH+]2CCCCC2)cc1 ZINC000027668117 820272935 /nfs/dbraw/zinc/27/29/35/820272935.db2.gz FXRKOVVFPFXXTN-QFIPXVFZSA-N 1 0 384.495 4.110 20 0 GIADRO CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000460649221 823466503 /nfs/dbraw/zinc/46/65/03/823466503.db2.gz ASGLRTSSHUXQPE-FGZHOGPDSA-N 1 0 387.568 4.062 20 0 GIADRO Cc1noc(C)c1CSc1ccccc1C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000027764900 820284332 /nfs/dbraw/zinc/28/43/32/820284332.db2.gz ZBOYARGMBUYPKH-OAHLLOKOSA-N 1 0 387.549 4.188 20 0 GIADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)COc1cc(Cl)c(Cl)cc1Cl ZINC000027770685 820284758 /nfs/dbraw/zinc/28/47/58/820284758.db2.gz IMADWQJCLAUQSI-NSHDSACASA-N 1 0 379.715 4.016 20 0 GIADRO COc1cc(NC(=O)C[N@H+](C)[C@H]2CCCc3ccccc32)c(OC)cc1Cl ZINC000027906549 820295549 /nfs/dbraw/zinc/29/55/49/820295549.db2.gz OWGYHLXJGBANRA-SFHVURJKSA-N 1 0 388.895 4.305 20 0 GIADRO CC(C)c1cc(C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)nn1C(C)(C)C ZINC000058899787 823467995 /nfs/dbraw/zinc/46/79/95/823467995.db2.gz WZFJMPAISIHLHG-HDICACEKSA-N 1 0 376.589 4.249 20 0 GIADRO O=C(CSc1ccc(Cl)cc1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000027926480 820297643 /nfs/dbraw/zinc/29/76/43/820297643.db2.gz MONPRZVEHGLOIE-UHFFFAOYSA-N 1 0 388.964 4.255 20 0 GIADRO CC(C)c1ccc(OCC(=O)NC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000027929286 820298049 /nfs/dbraw/zinc/29/80/49/820298049.db2.gz BCKANRPFLXUJJM-UHFFFAOYSA-N 1 0 380.532 4.012 20 0 GIADRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)c1cc2c(cccc2F)s1 ZINC000027930819 820298307 /nfs/dbraw/zinc/29/83/07/820298307.db2.gz CARZQPIHRPZKQI-UHFFFAOYSA-N 1 0 382.504 4.477 20 0 GIADRO CCCCCc1ccc(C(=O)CCC(=O)N2CCC([NH+]3CCCC3)CC2)cc1 ZINC000058908276 823469273 /nfs/dbraw/zinc/46/92/73/823469273.db2.gz CROGLHXKAWNGOH-UHFFFAOYSA-N 1 0 384.564 4.469 20 0 GIADRO c1ccc(-c2nc3ccccn3c2C[NH+]2CCC(OC[C@H]3CCCO3)CC2)cc1 ZINC000177467949 823469380 /nfs/dbraw/zinc/46/93/80/823469380.db2.gz BIQFOCOTDLMEQA-OAQYLSRUSA-N 1 0 391.515 4.161 20 0 GIADRO CC(C)n1nccc1C[N@H+](C[C@H](O)COc1cccc2ccccc21)C(C)C ZINC000410347139 823469471 /nfs/dbraw/zinc/46/94/71/823469471.db2.gz YXBPXWGOFXOVDZ-NRFANRHFSA-N 1 0 381.520 4.268 20 0 GIADRO CO[C@H](C)c1noc(CN2CCC[N@@H+]([C@H](C)c3ccc4ccccc4c3)CC2)n1 ZINC000177468662 823469647 /nfs/dbraw/zinc/46/96/47/823469647.db2.gz WPYFBXOWLKCUPO-QZTJIDSGSA-N 1 0 394.519 4.199 20 0 GIADRO O=C(C[N@H+]1CCC[C@@H]1c1ccc(F)cc1)N1CCc2[nH]c3ccccc3c2C1 ZINC000028281377 820322715 /nfs/dbraw/zinc/32/27/15/820322715.db2.gz SZHOAXDAWWIECK-JOCHJYFZSA-N 1 0 377.463 4.029 20 0 GIADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc([C@@H]3C[C@@H]3C)o2)cc1 ZINC000028306800 820323775 /nfs/dbraw/zinc/32/37/75/820323775.db2.gz AYWYCSJZBLDNDR-TWOQFEAHSA-N 1 0 390.549 4.284 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc3ccccc3c2)c1 ZINC000028336824 820326090 /nfs/dbraw/zinc/32/60/90/820326090.db2.gz LPXFXCYRWAGAAC-JKSUJKDBSA-N 1 0 375.472 4.476 20 0 GIADRO CC(C)c1ccc(CN(C)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000028353968 820328421 /nfs/dbraw/zinc/32/84/21/820328421.db2.gz ZYLAIUDXMWIFRC-UHFFFAOYSA-N 1 0 379.548 4.400 20 0 GIADRO CC[C@H](CNC(=O)N(C)[C@@H](C)c1ccc(F)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000028392377 820332362 /nfs/dbraw/zinc/33/23/62/820332362.db2.gz QHLASVBEMSYESC-HTAPYJJXSA-N 1 0 383.511 4.365 20 0 GIADRO CC[C@H](C(=O)Nc1ccccc1C[N@@H+]1CCC[C@H](C(N)=O)C1)C1CCC(C)CC1 ZINC000460666329 823471659 /nfs/dbraw/zinc/47/16/59/823471659.db2.gz DSUHKEDVKHUCIZ-RQWVFBBXSA-N 1 0 399.579 4.175 20 0 GIADRO CC[C@@H](c1ccc(Cl)cc1)[N@@H+]1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 ZINC000177474117 823471051 /nfs/dbraw/zinc/47/10/51/823471051.db2.gz VPARLPFWFMAKBS-QAPCUYQASA-N 1 0 392.931 4.089 20 0 GIADRO COc1ccc(NC(=O)[C@H]([NH2+]CCc2ccc(F)cc2)c2ccccc2)cc1 ZINC000028621979 820345682 /nfs/dbraw/zinc/34/56/82/820345682.db2.gz KHEYLVXDJSNTCU-JOCHJYFZSA-N 1 0 378.447 4.346 20 0 GIADRO Cc1cc(C)cc(NC(=O)NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000410356555 823472394 /nfs/dbraw/zinc/47/23/94/823472394.db2.gz XMYUHJQMYOYWQR-KDURUIRLSA-N 1 0 381.520 4.234 20 0 GIADRO C[C@@H]1CN(C(=O)NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c2ccccc21 ZINC000410356658 823472488 /nfs/dbraw/zinc/47/24/88/823472488.db2.gz XZOHOVNGOHVOAU-GUDVDZBRSA-N 1 0 393.531 4.129 20 0 GIADRO O=C(c1ccccc1COc1ccccc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000058936799 823472703 /nfs/dbraw/zinc/47/27/03/823472703.db2.gz JYRAPNOZUCXOMW-UHFFFAOYSA-N 1 0 378.516 4.356 20 0 GIADRO CC(C)(C)OC(=O)Nc1cccc(C(=O)N2CCC([NH+]3CCCCC3)CC2)c1 ZINC000058936625 823472748 /nfs/dbraw/zinc/47/27/48/823472748.db2.gz FNZYGUVMIZZLRH-UHFFFAOYSA-N 1 0 387.524 4.124 20 0 GIADRO COc1ccc([C@@H](NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c2ccco2)cc1 ZINC000573266113 823473156 /nfs/dbraw/zinc/47/31/56/823473156.db2.gz UEYKPMOYXTYGKK-NFBKMPQASA-N 1 0 390.483 4.016 20 0 GIADRO C[C@@H]1C[N@@H+](CCCNC(=O)C[C@H](Cc2ccccc2)c2ccccc2)C[C@H](C)O1 ZINC000460672844 823473844 /nfs/dbraw/zinc/47/38/44/823473844.db2.gz BJUTWDPWEZCUQJ-IMSXRSKXSA-N 1 0 394.559 4.019 20 0 GIADRO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CCC(=O)Nc1cccc2ccccc21 ZINC000028899927 820369953 /nfs/dbraw/zinc/36/99/53/820369953.db2.gz NRPHHQYAXZKJGP-GOSISDBHSA-N 1 0 399.498 4.442 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@H](O)COc2ccc(C(C)(C)C)cc2C)c1 ZINC000028918130 820372775 /nfs/dbraw/zinc/37/27/75/820372775.db2.gz XCXGUUZPQWERJF-JTSKRJEESA-N 1 0 398.547 4.341 20 0 GIADRO COc1cc2c(cc1C[NH2+][C@@H](C)c1ccc(NC(=O)C3CC3)cc1)O[C@@H](C)C2 ZINC000028925589 820374367 /nfs/dbraw/zinc/37/43/67/820374367.db2.gz XMHKIIOMOUFDOY-GJZGRUSLSA-N 1 0 380.488 4.218 20 0 GIADRO COc1cc2c(cc1C[NH2+][C@@H](C)c1ccc(NC(=O)C3CC3)cc1)O[C@H](C)C2 ZINC000028925588 820374894 /nfs/dbraw/zinc/37/48/94/820374894.db2.gz XMHKIIOMOUFDOY-CABCVRRESA-N 1 0 380.488 4.218 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)cc1 ZINC000058950434 823474652 /nfs/dbraw/zinc/47/46/52/823474652.db2.gz DGEBQVOFILHNHE-AOMKIAJQSA-N 1 0 398.934 4.334 20 0 GIADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)C1 ZINC000123179490 823474873 /nfs/dbraw/zinc/47/48/73/823474873.db2.gz MCWXJPCKSPKUKJ-PMACEKPBSA-N 1 0 392.543 4.115 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N[C@H]3CCCc4occc43)cc2)C1 ZINC000410363489 823475120 /nfs/dbraw/zinc/47/51/20/823475120.db2.gz JDLUKBQRPQPFGC-UTKZUKDTSA-N 1 0 381.520 4.388 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N[C@@H]3CCCc4occc43)cc2)C1 ZINC000410363487 823475231 /nfs/dbraw/zinc/47/52/31/823475231.db2.gz JDLUKBQRPQPFGC-LAUBAEHRSA-N 1 0 381.520 4.388 20 0 GIADRO COC(=O)/C=C/c1ccc(NC[C@@H](c2ccco2)[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000029069340 820389143 /nfs/dbraw/zinc/38/91/43/820389143.db2.gz KAVRWTCLSVMMOV-RQMBKDMJSA-N 1 0 399.447 4.013 20 0 GIADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C3(c4cccc(Cl)c4)CC3)cc2)CC1 ZINC000058954345 823475323 /nfs/dbraw/zinc/47/53/23/823475323.db2.gz BWOIMRGUYGKNIO-UHFFFAOYSA-N 1 0 397.950 4.148 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)/C=C/c1ccc(Br)o1)c1ccsc1 ZINC000058954540 823475358 /nfs/dbraw/zinc/47/53/58/823475358.db2.gz SXQQIDGDMFJYFR-PMGBHYCQSA-N 1 0 397.338 4.316 20 0 GIADRO COc1cc(NC(=O)C[NH2+][C@@H](c2ccc(F)cc2)C(C)C)c(OC)cc1Cl ZINC000029117391 820396218 /nfs/dbraw/zinc/39/62/18/820396218.db2.gz BJFTZWLOAKJGTI-HXUWFJFHSA-N 1 0 394.874 4.422 20 0 GIADRO CCOc1ccccc1NC(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000410365224 823475956 /nfs/dbraw/zinc/47/59/56/823475956.db2.gz CWFHCRIHQIYDSS-QZTJIDSGSA-N 1 0 397.519 4.016 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1cc(C)nc2c1cnn2C(C)C)c1ccccc1 ZINC000029167903 820404059 /nfs/dbraw/zinc/40/40/59/820404059.db2.gz QBHXRBULRULZRO-OAQYLSRUSA-N 1 0 393.535 4.134 20 0 GIADRO O=C(Cc1cccc(C(F)(F)F)c1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000029177439 820406122 /nfs/dbraw/zinc/40/61/22/820406122.db2.gz KQRNYJJYKSBNPD-IBGZPJMESA-N 1 0 376.422 4.201 20 0 GIADRO COc1cc(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)ccc1OCC(C)C ZINC000029177677 820406361 /nfs/dbraw/zinc/40/63/61/820406361.db2.gz SFFQVHMERABMSQ-NRFANRHFSA-N 1 0 396.531 4.297 20 0 GIADRO C/C=C/c1ccc(OCC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)c(OC)c1 ZINC000029177883 820406454 /nfs/dbraw/zinc/40/64/54/820406454.db2.gz UQKRENVWWSWDGN-IMRRZOKOSA-N 1 0 394.515 4.060 20 0 GIADRO Cc1c(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)cnn1-c1ccc(C)cc1 ZINC000029179708 820407768 /nfs/dbraw/zinc/40/77/68/820407768.db2.gz ZMTKABIBIYNCIM-QHCPKHFHSA-N 1 0 388.515 4.056 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCC[C@@H]2c2cccn2C)C1 ZINC000410370003 823477784 /nfs/dbraw/zinc/47/77/84/823477784.db2.gz ZLMXIHIAJMJXJT-AUSIDOKSSA-N 1 0 394.563 4.304 20 0 GIADRO Cc1cc(Br)cc(C)c1NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000177528271 823483074 /nfs/dbraw/zinc/48/30/74/823483074.db2.gz SNNBFYNDMIVJFY-HNNXBMFYSA-N 1 0 380.330 4.016 20 0 GIADRO Cn1nccc1[C@@H]1C[C@@H]([NH2+][C@H](Cc2cccnc2)c2cccc(Cl)c2)CCO1 ZINC000573297716 823477958 /nfs/dbraw/zinc/47/79/58/823477958.db2.gz VYCOBYWJHUQHPP-VWPQPMDRSA-N 1 0 396.922 4.262 20 0 GIADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)Nc1cccc(OCCF)c1 ZINC000123238529 823483639 /nfs/dbraw/zinc/48/36/39/823483639.db2.gz WZEPRMBWXPWEDV-KRWDZBQOSA-N 1 0 377.485 4.055 20 0 GIADRO C[C@@H](c1ncc(C(C)(C)C)o1)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177503495 823478222 /nfs/dbraw/zinc/47/82/22/823478222.db2.gz MWLPDTCYSYPDID-KSZLIROESA-N 1 0 377.573 4.244 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1)C1CCCCC1 ZINC000029366458 820444698 /nfs/dbraw/zinc/44/46/98/820444698.db2.gz WKUIUFFBYXCYQU-UHFFFAOYSA-N 1 0 391.559 4.205 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)c2nc(-c3ccco3)sc2C)cc1 ZINC000029439310 820455219 /nfs/dbraw/zinc/45/52/19/820455219.db2.gz HYLKQMMLBYRQJU-UHFFFAOYSA-N 1 0 383.517 4.483 20 0 GIADRO CSc1ccc(NC(=O)NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000410375948 823480324 /nfs/dbraw/zinc/48/03/24/823480324.db2.gz QPDWKFCPLIHONR-IRXDYDNUSA-N 1 0 399.560 4.339 20 0 GIADRO Cc1cc(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)c2cnn(C)c2n1 ZINC000177515307 823480398 /nfs/dbraw/zinc/48/03/98/823480398.db2.gz MHCRHVNAIBQIQN-UHFFFAOYSA-N 1 0 391.519 4.294 20 0 GIADRO COc1ccc(NC(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1OC ZINC000410376363 823480589 /nfs/dbraw/zinc/48/05/89/823480589.db2.gz TUCXAWKQEVJLOT-QGZVFWFLSA-N 1 0 397.519 4.257 20 0 GIADRO CCOC(=O)Nc1ccc2c(C[N@H+](C)[C@@H]3CCc4ccccc43)cc(=O)oc2c1 ZINC000029484681 820461854 /nfs/dbraw/zinc/46/18/54/820461854.db2.gz RDXSAOPQXAMFFQ-HXUWFJFHSA-N 1 0 392.455 4.481 20 0 GIADRO O=c1oc2cc(Br)ccc2n1C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000029499524 820464112 /nfs/dbraw/zinc/46/41/12/820464112.db2.gz HMMNUEZUIIDDQA-CYBMUJFWSA-N 1 0 379.279 4.213 20 0 GIADRO O=C(Nc1ccc(Oc2ccccn2)cc1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000573336258 823481551 /nfs/dbraw/zinc/48/15/51/823481551.db2.gz KFIIVCPXUSPIBM-GOSISDBHSA-N 1 0 383.517 4.030 20 0 GIADRO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000029563100 820476672 /nfs/dbraw/zinc/47/66/72/820476672.db2.gz QEAJOUGIIHZIIS-PTUXOGIPSA-N 1 0 386.580 4.245 20 0 GIADRO O=C1[C@H]([NH2+][C@H](CCc2ccccc2)c2ccccc2)CCN1CC(F)(F)F ZINC000573348491 823482672 /nfs/dbraw/zinc/48/26/72/823482672.db2.gz CTZJRRZJHIXPBI-RTBURBONSA-N 1 0 376.422 4.113 20 0 GIADRO O=C1[C@@H]([NH2+][C@H](CCc2ccccc2)c2ccccc2)CCN1CC(F)(F)F ZINC000573348487 823482718 /nfs/dbraw/zinc/48/27/18/823482718.db2.gz CTZJRRZJHIXPBI-MOPGFXCFSA-N 1 0 376.422 4.113 20 0 GIADRO COc1cc([C@@H](C)[NH2+]Cc2cc3ccccc3[nH]c2=O)ccc1OCC(C)C ZINC000123235920 823482946 /nfs/dbraw/zinc/48/29/46/823482946.db2.gz OTWHTEMWAXEFMT-MRXNPFEDSA-N 1 0 380.488 4.422 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH2+]CC2(c3ccccc3)CCCC2)c1 ZINC000029711127 820503906 /nfs/dbraw/zinc/50/39/06/820503906.db2.gz KEGPXAIMSMXAKL-KRWDZBQOSA-N 1 0 379.504 4.074 20 0 GIADRO CC[C@H](c1ccncc1)N(C)C(=O)N[C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000123245912 823484618 /nfs/dbraw/zinc/48/46/18/823484618.db2.gz YKLZHYQSOZORMD-HRAATJIYSA-N 1 0 377.492 4.429 20 0 GIADRO COc1ccc(C(=O)NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)c(F)c1 ZINC000059057294 823484830 /nfs/dbraw/zinc/48/48/30/823484830.db2.gz SDUPEARUMQEFIF-CALCHBBNSA-N 1 0 384.495 4.242 20 0 GIADRO O=C(COc1ccc(Cl)c(Cl)c1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000029754986 820511305 /nfs/dbraw/zinc/51/13/05/820511305.db2.gz HJLHMZVDNUTDNZ-MRXNPFEDSA-N 1 0 399.343 4.387 20 0 GIADRO CC[C@H](NC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1c(C)noc1C ZINC000123252416 823485613 /nfs/dbraw/zinc/48/56/13/823485613.db2.gz MQXZUBSMHNTQSM-AEFFLSMTSA-N 1 0 390.553 4.015 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(OCC)cc2C(F)(F)F)C1 ZINC000177539613 823485875 /nfs/dbraw/zinc/48/58/75/823485875.db2.gz HLANKMRLFLLMHF-CQSZACIVSA-N 1 0 387.446 4.300 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)CCCC[C@H]3CCSS3)cc2)CC1 ZINC000029798875 820520957 /nfs/dbraw/zinc/52/09/57/820520957.db2.gz MAZFKPVDSCJRHL-IBGZPJMESA-N 1 0 393.622 4.481 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(OCC)cc2C(F)(F)F)C1 ZINC000177539596 823485934 /nfs/dbraw/zinc/48/59/34/823485934.db2.gz HLANKMRLFLLMHF-AWEZNQCLSA-N 1 0 387.446 4.300 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CCSc1ccccc1F ZINC000029832960 820528777 /nfs/dbraw/zinc/52/87/77/820528777.db2.gz IOJWXFNWUNVPTL-UHFFFAOYSA-N 1 0 387.524 4.007 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)Cc2ccc3c(c2)CCCC3)CC1 ZINC000059123049 823486511 /nfs/dbraw/zinc/48/65/11/823486511.db2.gz YGLUOHMIJDXYIZ-UHFFFAOYSA-N 1 0 376.544 4.197 20 0 GIADRO CCN(CC)C(=O)[C@H]([NH2+][C@H]1c2ccccc2CC12CCOCC2)c1ccccc1 ZINC000573409791 823489724 /nfs/dbraw/zinc/48/97/24/823489724.db2.gz RSFKSBQVKAVOEI-PKTZIBPZSA-N 1 0 392.543 4.280 20 0 GIADRO C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000177554751 823489796 /nfs/dbraw/zinc/48/97/96/823489796.db2.gz YGUMAVBRRQMICC-LAUBAEHRSA-N 1 0 391.540 4.451 20 0 GIADRO CSCc1cccc(CNC(=O)NC2CC[NH+](CC3CCCC3)CC2)c1 ZINC000189750096 823487578 /nfs/dbraw/zinc/48/75/78/823487578.db2.gz XBHNESSWIVCODG-UHFFFAOYSA-N 1 0 375.582 4.003 20 0 GIADRO CCCCNC(=O)C1CC[NH+](Cc2cc(=O)oc3cc(C)c(C(C)C)cc23)CC1 ZINC000029927033 820549344 /nfs/dbraw/zinc/54/93/44/820549344.db2.gz MTFGIDLNESRBBV-UHFFFAOYSA-N 1 0 398.547 4.353 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@@H](O)c1cccc(OC(C)C)c1)CC3 ZINC000123269045 823488072 /nfs/dbraw/zinc/48/80/72/823488072.db2.gz BEDDIBDODRGELB-MZNJEOGPSA-N 1 0 394.515 4.144 20 0 GIADRO Cc1ccc(Br)cc1NC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000059264400 823488121 /nfs/dbraw/zinc/48/81/21/823488121.db2.gz AMEWZGKAYQALMZ-KRWDZBQOSA-N 1 0 394.288 4.321 20 0 GIADRO C[C@@H](C1CC1)n1cc(NC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000189753868 823488300 /nfs/dbraw/zinc/48/83/00/823488300.db2.gz XHNAVXXNULNSPW-KRWDZBQOSA-N 1 0 396.539 4.020 20 0 GIADRO CC(C)Cn1cc(NC(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)c(C(F)F)n1 ZINC000573402433 823488481 /nfs/dbraw/zinc/48/84/81/823488481.db2.gz GXKROBIOGBDWSS-OAHLLOKOSA-N 1 0 393.482 4.119 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)CCOc3ccc(C)c(C)c3)c(C)c2)CC1 ZINC000029967886 820558168 /nfs/dbraw/zinc/55/81/68/820558168.db2.gz SNAKKTCIQCPMHF-UHFFFAOYSA-N 1 0 395.547 4.161 20 0 GIADRO O=C(Nc1ccc(Cl)cn1)C1CC[NH+](Cc2cnc3ccccc3c2)CC1 ZINC000410424836 823493621 /nfs/dbraw/zinc/49/36/21/823493621.db2.gz YBSCOBSBSRRODQ-UHFFFAOYSA-N 1 0 380.879 4.134 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)N(C)Cc2ccccc2N2CCCC2)cc1 ZINC000059368609 823493969 /nfs/dbraw/zinc/49/39/69/823493969.db2.gz XCNBBBSEBDTIFA-UHFFFAOYSA-N 1 0 379.548 4.401 20 0 GIADRO CC[NH+](CC)CCOc1ccc(CNC(=O)[C@H]2CCSc3ccccc32)cc1 ZINC000460718956 823493968 /nfs/dbraw/zinc/49/39/68/823493968.db2.gz PMWSOBWAKYDPPX-NRFANRHFSA-N 1 0 398.572 4.303 20 0 GIADRO COc1cccc(Cl)c1C[NH2+]CCCc1nnc(SC)n1CC(C)C ZINC000177559321 823490906 /nfs/dbraw/zinc/49/09/06/823490906.db2.gz UPPFTLHJQISZCQ-UHFFFAOYSA-N 1 0 382.961 4.040 20 0 GIADRO C[C@@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)c1ccc(-n2cccn2)cc1 ZINC000177560219 823491132 /nfs/dbraw/zinc/49/11/32/823491132.db2.gz GCFZVCRAEZOVPG-GOSISDBHSA-N 1 0 395.551 4.030 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccnc2Cl)ccc1OC(C)C ZINC000030492527 820622449 /nfs/dbraw/zinc/62/24/49/820622449.db2.gz ZQZJDXLYSAZBBC-KBPBESRZSA-N 1 0 391.899 4.209 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccnc2Cl)ccc1OC(C)C ZINC000030492528 820622559 /nfs/dbraw/zinc/62/25/59/820622559.db2.gz ZQZJDXLYSAZBBC-ZIAGYGMSSA-N 1 0 391.899 4.209 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(F)cc2F)ccc1OC(C)C ZINC000030492718 820623189 /nfs/dbraw/zinc/62/31/89/820623189.db2.gz VGFSCOOEAYXINZ-KGLIPLIRSA-N 1 0 392.446 4.438 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2c(F)cccc2F)ccc1OC(C)C ZINC000030492708 820623247 /nfs/dbraw/zinc/62/32/47/820623247.db2.gz BHSGHWJDTNYUMO-ZIAGYGMSSA-N 1 0 392.446 4.438 20 0 GIADRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(OC(C)C)c(OC)c2)cc1 ZINC000030492549 820623302 /nfs/dbraw/zinc/62/33/02/820623302.db2.gz LCMVDDUGPRXCHE-CVEARBPZSA-N 1 0 386.492 4.169 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(F)c(F)c2)ccc1OC(C)C ZINC000030492704 820623396 /nfs/dbraw/zinc/62/33/96/820623396.db2.gz CDVILOXJPSDZAP-ZIAGYGMSSA-N 1 0 392.446 4.438 20 0 GIADRO C[C@H](NCc1ccccc1C[N@@H+]1CCCC[C@H]1C)c1nnnn1C1CCCCC1 ZINC000189772804 823491856 /nfs/dbraw/zinc/49/18/56/823491856.db2.gz IDWYRDLPGSUCET-MOPGFXCFSA-N 1 0 396.583 4.404 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1cc(Cl)ccc1Br)c1cccs1 ZINC000030512070 820628841 /nfs/dbraw/zinc/62/88/41/820628841.db2.gz AJTXZXHEZFDEGZ-CYBMUJFWSA-N 1 0 387.730 4.197 20 0 GIADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2cccnc2SCc2ccc(F)cc2)C1 ZINC000177577750 823495139 /nfs/dbraw/zinc/49/51/39/823495139.db2.gz LGYOYFYRNJKASQ-ROUUACIJSA-N 1 0 387.524 4.116 20 0 GIADRO COc1cc([C@H](C)[NH2+]C[C@H](O)COc2ccc(C)cc2C)ccc1OC(C)C ZINC000030533503 820634000 /nfs/dbraw/zinc/63/40/00/820634000.db2.gz IFABRIFZENKWOL-ICSRJNTNSA-N 1 0 387.520 4.190 20 0 GIADRO COc1cc([C@H](C)[NH2+]C[C@@H](O)COc2ccc(Cl)cc2)ccc1OC(C)C ZINC000030533712 820634837 /nfs/dbraw/zinc/63/48/37/820634837.db2.gz QWUSTXJVOFIXCA-MAUKXSAKSA-N 1 0 393.911 4.226 20 0 GIADRO COc1ccc(C[NH2+]C[C@H](c2cccs2)N(C)C)cc1OCc1cccnc1 ZINC000030544885 820637176 /nfs/dbraw/zinc/63/71/76/820637176.db2.gz FRKVFWNCBMYEBL-LJQANCHMSA-N 1 0 397.544 4.123 20 0 GIADRO COc1cc(C[NH2+]C[C@H](c2ccccc2)N(C)C)ccc1OCc1ccncc1 ZINC000030545047 820637263 /nfs/dbraw/zinc/63/72/63/820637263.db2.gz FKXJGBXIGGKKJN-JOCHJYFZSA-N 1 0 391.515 4.062 20 0 GIADRO Cc1cc(C[NH2+]C[C@H]2COc3ccccc3O2)cc(C)c1OCc1ccccn1 ZINC000030544414 820637335 /nfs/dbraw/zinc/63/73/35/820637335.db2.gz OZPCEYHXZKSJED-NRFANRHFSA-N 1 0 390.483 4.207 20 0 GIADRO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1c[nH]cc1-c1ccc(F)cc1 ZINC000460714742 823492651 /nfs/dbraw/zinc/49/26/51/823492651.db2.gz DNXDGXOMUAQJHH-HXUWFJFHSA-N 1 0 377.463 4.215 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccc(Br)s1 ZINC000030556250 820640397 /nfs/dbraw/zinc/64/03/97/820640397.db2.gz KEKBNRCVXKCCTP-UHFFFAOYSA-N 1 0 379.323 4.036 20 0 GIADRO Cc1cc(OCC(=O)NCc2ccccc2C[NH+]2CCCC2)ccc1C(C)C ZINC000030556229 820640608 /nfs/dbraw/zinc/64/06/08/820640608.db2.gz ZSFAZNCKELJXPO-UHFFFAOYSA-N 1 0 380.532 4.409 20 0 GIADRO C[NH+](C)CCOc1cccc(CNC(=O)Cc2ccc(-c3ccccc3)cc2)c1 ZINC000059350501 823492942 /nfs/dbraw/zinc/49/29/42/823492942.db2.gz ABEFCMGTEZACSI-UHFFFAOYSA-N 1 0 388.511 4.153 20 0 GIADRO Cc1ccc(C[N@H+](CC(=O)NCC(F)(F)F)[C@@H]2CCc3ccccc32)cc1 ZINC000059405751 823495572 /nfs/dbraw/zinc/49/55/72/823495572.db2.gz HFBCYIGXKVUQBV-LJQANCHMSA-N 1 0 376.422 4.163 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1cccc(OCc2cccs2)c1)c1ccsc1 ZINC000030636712 820655810 /nfs/dbraw/zinc/65/58/10/820655810.db2.gz KLDQWROYPORZBX-LJQANCHMSA-N 1 0 386.542 4.421 20 0 GIADRO c1cn(Cc2ccccc2C[NH2+]Cc2cccc(OCc3ccccn3)c2)cn1 ZINC000030651515 820658489 /nfs/dbraw/zinc/65/84/89/820658489.db2.gz XSYGZESMVGYRJQ-UHFFFAOYSA-N 1 0 384.483 4.195 20 0 GIADRO Cc1n[nH]cc1CCC[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000030667101 820661440 /nfs/dbraw/zinc/66/14/40/820661440.db2.gz ZIFSJYWCVGSDEP-UHFFFAOYSA-N 1 0 382.895 4.346 20 0 GIADRO CC(=O)c1c(C)[nH]c(C(=O)NCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)c1C ZINC000059410546 823495939 /nfs/dbraw/zinc/49/59/39/823495939.db2.gz DQQHWSJCEJJAAE-HOTGVXAUSA-N 1 0 395.547 4.242 20 0 GIADRO CSc1cccc(N(C(=O)COCC2CCCC2)C2CC[NH+](C)CC2)c1 ZINC000410474920 823498446 /nfs/dbraw/zinc/49/84/46/823498446.db2.gz YTNLABOWZOHEKS-UHFFFAOYSA-N 1 0 376.566 4.043 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2ncoc2-c2ccccc2Cl)C1 ZINC000460731743 823498465 /nfs/dbraw/zinc/49/84/65/823498465.db2.gz NDHLIABXRANECG-IYBDPMFKSA-N 1 0 389.927 4.483 20 0 GIADRO Cc1cccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C(F)(F)F)c1F ZINC000123339768 823498485 /nfs/dbraw/zinc/49/84/85/823498485.db2.gz CRCSOIFYIRRWRS-UHFFFAOYSA-N 1 0 395.400 4.157 20 0 GIADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)[C@@H](C)C1 ZINC000410484539 823498566 /nfs/dbraw/zinc/49/85/66/823498566.db2.gz QMYVICIVDVRERO-MLDBQTBOSA-N 1 0 386.580 4.214 20 0 GIADRO Cn1nccc1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccc(Cl)c1 ZINC000030906732 820705795 /nfs/dbraw/zinc/70/57/95/820705795.db2.gz TYZDXNLVYHUCFA-UHFFFAOYSA-N 1 0 377.879 4.216 20 0 GIADRO COc1cc(C[NH2+][C@@H]2CCCc3c2cnn3C)ccc1OCc1ccccc1 ZINC000030908624 820707057 /nfs/dbraw/zinc/70/70/57/820707057.db2.gz UWKLHXVODJIJBM-HXUWFJFHSA-N 1 0 377.488 4.175 20 0 GIADRO Clc1cccc([C@@H](C[NH2+]Cc2cnn(-c3ccccc3)c2)N2CCCC2)c1 ZINC000030911113 820707396 /nfs/dbraw/zinc/70/73/96/820707396.db2.gz VXPBBGDPGOXSKL-JOCHJYFZSA-N 1 0 380.923 4.452 20 0 GIADRO Clc1cccc([C@@H](C[NH2+]Cc2ccc(-n3cccn3)cc2)N2CCCC2)c1 ZINC000030910995 820707715 /nfs/dbraw/zinc/70/77/15/820707715.db2.gz ZAQWWTWDNJKGHB-JOCHJYFZSA-N 1 0 380.923 4.452 20 0 GIADRO COc1ccc(C[NH2+]C[C@@H](c2cccc(C)c2)N2CCOCC2)c2ccccc12 ZINC000030915559 820708221 /nfs/dbraw/zinc/70/82/21/820708221.db2.gz IUHZEDPJHVFZDK-DEOSSOPVSA-N 1 0 390.527 4.320 20 0 GIADRO Cc1cccc2nc(C3CC[NH+](C[C@@H]4CN(c5ccccc5)C(=O)O4)CC3)oc21 ZINC000189809153 823498814 /nfs/dbraw/zinc/49/88/14/823498814.db2.gz CQFULUKTBOOEJI-LJQANCHMSA-N 1 0 391.471 4.341 20 0 GIADRO CC(C)NC(=O)Nc1ccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000031025039 820723188 /nfs/dbraw/zinc/72/31/88/820723188.db2.gz IRIRPRDFKGJBQL-UHFFFAOYSA-N 1 0 394.519 4.455 20 0 GIADRO Cc1nc2c(s1)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)N3C(=O)OC(C)(C)C)CCC2 ZINC000123346243 823499835 /nfs/dbraw/zinc/49/98/35/823499835.db2.gz MMNAWLMPACKWOY-UCMJJCQDSA-N 1 0 377.554 4.349 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)CC(F)(F)F)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000189835270 823503941 /nfs/dbraw/zinc/50/39/41/823503941.db2.gz XTZYUVOOUSYWHQ-YVEFUNNKSA-N 1 0 384.373 4.042 20 0 GIADRO CC(C)(C)c1ccc(S(=O)(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000031075331 820735057 /nfs/dbraw/zinc/73/50/57/820735057.db2.gz JOKJHDPXDUAEFT-UHFFFAOYSA-N 1 0 386.561 4.058 20 0 GIADRO C[C@](O)(CC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1)c1ccccc1 ZINC000189835882 823504104 /nfs/dbraw/zinc/50/41/04/823504104.db2.gz PUXIOSMCXBDJNQ-VWLOTQADSA-N 1 0 398.510 4.322 20 0 GIADRO O=C(Nc1nc2ccccc2s1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000031090070 820737545 /nfs/dbraw/zinc/73/75/45/820737545.db2.gz BVXBJTNUZQCJMJ-UHFFFAOYSA-N 1 0 380.517 4.125 20 0 GIADRO COc1ccc([C@H](Cc2ccccc2C)[NH2+]C[C@@H](O)CC(F)(F)F)cc1OC ZINC000189837661 823504377 /nfs/dbraw/zinc/50/43/77/823504377.db2.gz GLOPDJSCEIPSMJ-ROUUACIJSA-N 1 0 397.437 4.199 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)c1 ZINC000060060352 823506147 /nfs/dbraw/zinc/50/61/47/823506147.db2.gz YZOHNFAHHHHZJH-UHFFFAOYSA-N 1 0 394.494 4.010 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCC1)N[C@@H]1CCSc2c(F)cccc21 ZINC000031102797 820743058 /nfs/dbraw/zinc/74/30/58/820743058.db2.gz JYNGWNAELFWGHV-HXUWFJFHSA-N 1 0 399.535 4.458 20 0 GIADRO COc1cccc([C@@H](CNC(=O)c2cc(Cl)ccc2OC(C)C)[NH+](C)C)c1 ZINC000059994105 823504488 /nfs/dbraw/zinc/50/44/88/823504488.db2.gz LBDDOTCWARDLLC-LJQANCHMSA-N 1 0 390.911 4.169 20 0 GIADRO COc1cccc([C@H](CNC(=O)c2cc(Cl)ccc2OC(C)C)[NH+](C)C)c1 ZINC000059994103 823504529 /nfs/dbraw/zinc/50/45/29/823504529.db2.gz LBDDOTCWARDLLC-IBGZPJMESA-N 1 0 390.911 4.169 20 0 GIADRO CC[C@H](NC(=O)NCc1ccccc1C[NH+](CC)CC)c1ccccc1OC ZINC000031106095 820744473 /nfs/dbraw/zinc/74/44/73/820744473.db2.gz LNKNKELTEWAXNP-NRFANRHFSA-N 1 0 383.536 4.488 20 0 GIADRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)N[C@@H]1CCSc2c(F)cccc21 ZINC000031123527 820747020 /nfs/dbraw/zinc/74/70/20/820747020.db2.gz QWKQSDZMYYSKLA-HXUWFJFHSA-N 1 0 399.535 4.110 20 0 GIADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccc(NC(=O)c2cccs2)cc1 ZINC000060015939 823504789 /nfs/dbraw/zinc/50/47/89/823504789.db2.gz YSFGNKFRROHNJZ-BRWVUGGUSA-N 1 0 399.560 4.097 20 0 GIADRO CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)c1c(C)nn(C)c1C ZINC000123392974 823504912 /nfs/dbraw/zinc/50/49/12/823504912.db2.gz SJZZFBMURUWAAV-HQSKLWIPSA-N 1 0 376.545 4.008 20 0 GIADRO C[C@H]1C[C@H](N(C)Cc2coc(-c3ccc(Br)cc3)n2)CC[N@@H+]1C ZINC000123392697 823504988 /nfs/dbraw/zinc/50/49/88/823504988.db2.gz VISZRXVLMUBBJR-SUMWQHHRSA-N 1 0 378.314 4.019 20 0 GIADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000060061824 823506249 /nfs/dbraw/zinc/50/62/49/823506249.db2.gz JYLIEKOAQCSGDW-VNHYZAJKSA-N 1 0 391.364 4.019 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2c(F)ccc(SCC3CC3)c2F)[C@@H](C)C1 ZINC000410513457 823500758 /nfs/dbraw/zinc/50/07/58/823500758.db2.gz MHBQXAIPZAHMKQ-XJKSGUPXSA-N 1 0 382.520 4.269 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)NCc1ccc(OC(F)F)cc1)c1ccsc1 ZINC000031194379 820765812 /nfs/dbraw/zinc/76/58/12/820765812.db2.gz CGOGFSNDTUUCSX-KRWDZBQOSA-N 1 0 397.491 4.232 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)NCc2nc(C3CC3)cs2)CC[N@@H+]1Cc1ccccc1 ZINC000123399056 823505736 /nfs/dbraw/zinc/50/57/36/823505736.db2.gz KJSDQYOTAGYUFK-VQIMIIECSA-N 1 0 398.576 4.215 20 0 GIADRO COc1ccc(OC)c([C@H](C)NC(=O)C[N@@H+](Cc2ccccc2)CC2CCC2)c1 ZINC000060041791 823505807 /nfs/dbraw/zinc/50/58/07/823505807.db2.gz BALVKSDFWPQGKC-SFHVURJKSA-N 1 0 396.531 4.183 20 0 GIADRO CC(=O)c1c(C)[nH]c(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)c1C(C)C ZINC000123370420 823502463 /nfs/dbraw/zinc/50/24/63/823502463.db2.gz FBHBQUCSYLZFDQ-LJQANCHMSA-N 1 0 381.520 4.216 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)[C@@H](C)c1ccc(F)c(F)c1 ZINC000460746659 823502988 /nfs/dbraw/zinc/50/29/88/823502988.db2.gz NUBNASINZGIHGH-INIZCTEOSA-N 1 0 390.474 4.105 20 0 GIADRO Nc1c(Cl)cc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC000059951250 823503513 /nfs/dbraw/zinc/50/35/13/823503513.db2.gz KEDBDKIOQWRKGZ-AWEZNQCLSA-N 1 0 378.303 4.426 20 0 GIADRO CN(Cc1ccccc1N1CCCC1)C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000059951300 823503524 /nfs/dbraw/zinc/50/35/24/823503524.db2.gz RPYKKZSFBJPGHZ-QHCPKHFHSA-N 1 0 391.559 4.157 20 0 GIADRO CC[NH2+]Cc1cccc(NC(=O)[C@H](C)Oc2ccc(F)cc2Br)c1 ZINC000123380710 823503564 /nfs/dbraw/zinc/50/35/64/823503564.db2.gz VAVRLARFMRMFBO-LBPRGKRZSA-N 1 0 395.272 4.104 20 0 GIADRO CCN(C(=O)NCC[NH+]1CCC2(CCCCC2)CC1)[C@@H]1CCOC(C)(C)C1 ZINC000460765592 823506668 /nfs/dbraw/zinc/50/66/68/823506668.db2.gz CQFWGKQNPZRUKZ-LJQANCHMSA-N 1 0 379.589 4.022 20 0 GIADRO CC(C)OCCC(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000060065771 823506845 /nfs/dbraw/zinc/50/68/45/823506845.db2.gz UXMJTUROBDHXDC-UHFFFAOYSA-N 1 0 375.340 4.089 20 0 GIADRO COC(=O)c1ccc(C[NH+](Cc2ccc(C(=O)OC)o2)[C@H]2CCC[C@@H](C)C2)o1 ZINC000031471825 820815176 /nfs/dbraw/zinc/81/51/76/820815176.db2.gz LBKVEXASEUTNHV-CABCVRRESA-N 1 0 389.448 4.027 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)[NH2+]CCOCC(F)(F)C(F)(F)F)cc1 ZINC000189858540 823506924 /nfs/dbraw/zinc/50/69/24/823506924.db2.gz MZSJBXCYZYGOFX-LBPRGKRZSA-N 1 0 377.357 4.046 20 0 GIADRO CC[C@@H](NC(=O)N1CCC[N@H+](CC2CCCCC2)CC1)c1c(C)noc1C ZINC000123415896 823507214 /nfs/dbraw/zinc/50/72/14/823507214.db2.gz RJBUHHXPMBLOAX-LJQANCHMSA-N 1 0 376.545 4.040 20 0 GIADRO Cc1nc2cc(F)ccc2cc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000031544639 820823468 /nfs/dbraw/zinc/82/34/68/820823468.db2.gz HLOBYXHADYWQLV-HXUWFJFHSA-N 1 0 377.463 4.077 20 0 GIADRO CC[NH2+]Cc1cccc(NC(=O)c2ccc(C)c(NC(=O)NC(C)(C)C)c2)c1 ZINC000123423345 823507764 /nfs/dbraw/zinc/50/77/64/823507764.db2.gz NJWATNQLWIPMMF-UHFFFAOYSA-N 1 0 382.508 4.277 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)c1 ZINC000123423093 823507810 /nfs/dbraw/zinc/50/78/10/823507810.db2.gz BXKHMONKYSXVGM-QZTJIDSGSA-N 1 0 376.422 4.187 20 0 GIADRO C[C@H](NC(=O)N1CC[C@H](C(F)(F)F)C(C)(C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000189866798 823508079 /nfs/dbraw/zinc/50/80/79/823508079.db2.gz NVRGWQOUDPUEDX-ZOBUZTSGSA-N 1 0 389.506 4.259 20 0 GIADRO C[C@@H](C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)s1 ZINC000177656598 823508693 /nfs/dbraw/zinc/50/86/93/823508693.db2.gz VJCNHCKTSMWQFI-NVXWUHKLSA-N 1 0 376.953 4.486 20 0 GIADRO COc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@H](C)C[C@@H](C)O)cc1 ZINC000123451192 823510157 /nfs/dbraw/zinc/51/01/57/823510157.db2.gz SMBDFMFRCUIWJE-RTBURBONSA-N 1 0 393.531 4.104 20 0 GIADRO CSc1ccc(Cl)c(C(=O)N(CC[NH+](C)C)Cc2ccccc2F)c1 ZINC000060166916 823510834 /nfs/dbraw/zinc/51/08/34/823510834.db2.gz KYNKLURPLISGAK-UHFFFAOYSA-N 1 0 380.916 4.405 20 0 GIADRO CC[C@@H]([NH2+]Cc1cc2cc(OC)ccc2o1)c1ccccc1OCC(=O)N(C)C ZINC000123457655 823511014 /nfs/dbraw/zinc/51/10/14/823511014.db2.gz KKPYJWSCQGVZBW-HXUWFJFHSA-N 1 0 396.487 4.149 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)CCCc1nc2ccccc2[nH]1)c1ccsc1 ZINC000031983281 820883023 /nfs/dbraw/zinc/88/30/23/820883023.db2.gz PGTVPHUZCXSAGM-LJQANCHMSA-N 1 0 384.549 4.146 20 0 GIADRO CC1CC[NH+]([C@H](CNC(=O)c2nccc3ccccc32)c2cccs2)CC1 ZINC000060200780 823511465 /nfs/dbraw/zinc/51/14/65/823511465.db2.gz HONCEWWJDHQDNY-LJQANCHMSA-N 1 0 379.529 4.499 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Cc1nc(-c2ccccc2)oc1C)c1ccsc1 ZINC000031984592 820883900 /nfs/dbraw/zinc/88/39/00/820883900.db2.gz OGLWTDDZYIJBNE-HXUWFJFHSA-N 1 0 397.544 4.453 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Cc1coc2cc(OC)ccc12)c1ccsc1 ZINC000031988608 820885442 /nfs/dbraw/zinc/88/54/42/820885442.db2.gz LWAAVDWGJFIPOJ-LJQANCHMSA-N 1 0 386.517 4.245 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C)Oc1cccc(Cl)c1)c1ccsc1 ZINC000031988121 820885638 /nfs/dbraw/zinc/88/56/38/820885638.db2.gz RFTMFFOCVDWBPS-KDOFPFPSSA-N 1 0 380.941 4.368 20 0 GIADRO O=C(NCc1ccccc1Cl)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000060219824 823512663 /nfs/dbraw/zinc/51/26/63/823512663.db2.gz FAOKDVCKBMVMBQ-UHFFFAOYSA-N 1 0 377.941 4.113 20 0 GIADRO Cc1ccc(C(=O)NCC[NH+](C(C)C)C(C)C)cc1NC(=O)c1ccccc1F ZINC000032047765 820891944 /nfs/dbraw/zinc/89/19/44/820891944.db2.gz WFPHAZAGTXOIDB-UHFFFAOYSA-N 1 0 399.510 4.235 20 0 GIADRO COc1ccc(OCCCC(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1 ZINC000060238965 823512843 /nfs/dbraw/zinc/51/28/43/823512843.db2.gz YFMVLYQRDUUALW-HSZRJFAPSA-N 1 0 396.531 4.116 20 0 GIADRO COc1ccc2oc(C(=O)NC[C@@H]3CCC[N@H+](Cc4cccs4)C3)c(C)c2c1 ZINC000060244098 823513185 /nfs/dbraw/zinc/51/31/85/823513185.db2.gz QTICLCIZTCDADQ-INIZCTEOSA-N 1 0 398.528 4.453 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@@H](c1ccccc1)C(C)(C)CO)CC3 ZINC000123482336 823513323 /nfs/dbraw/zinc/51/33/23/823513323.db2.gz WVTFNSVDSJRSFX-GCJKJVERSA-N 1 0 392.543 4.426 20 0 GIADRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCc1nc(C(F)(F)F)cs1 ZINC000189955940 823517713 /nfs/dbraw/zinc/51/77/13/823517713.db2.gz JSKJKVFBBHNXEL-KBPBESRZSA-N 1 0 383.483 4.408 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)CCc1ccccc1OC)c1ccccc1Cl ZINC000032316277 820914116 /nfs/dbraw/zinc/91/41/16/820914116.db2.gz JLKLUAUYVXIGBQ-FQEVSTJZSA-N 1 0 388.939 4.481 20 0 GIADRO C[C@@H](CNC(=O)c1ccccc1SC(F)(F)F)[N@@H+]1CCc2ccccc2C1 ZINC000032369466 820927130 /nfs/dbraw/zinc/92/71/30/820927130.db2.gz RLVYLYCRSUAGLI-AWEZNQCLSA-N 1 0 394.462 4.475 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)/C=C/c1ccccc1OC(F)(F)F)c1ccsc1 ZINC000032369045 820927184 /nfs/dbraw/zinc/92/71/84/820927184.db2.gz IYPXLRXIARSZNC-MVGZEHJDSA-N 1 0 384.423 4.079 20 0 GIADRO CCCCOc1ccc(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc1OC ZINC000032399183 820933645 /nfs/dbraw/zinc/93/36/45/820933645.db2.gz RTERYQRTMJHJCO-UHFFFAOYSA-N 1 0 396.531 4.052 20 0 GIADRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)C1(c2cccc(F)c2)CCCC1 ZINC000032401299 820934414 /nfs/dbraw/zinc/93/44/14/820934414.db2.gz WKYSMBXGCHDULC-UHFFFAOYSA-N 1 0 380.507 4.202 20 0 GIADRO C[C@H](C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)[N@@H+]1CCC2(CCC2)C1 ZINC000123508820 823515726 /nfs/dbraw/zinc/51/57/26/823515726.db2.gz HGUODPWFOVXYEJ-OAHLLOKOSA-N 1 0 383.517 4.203 20 0 GIADRO Cc1sc(NC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)nc1-c1c[nH]c2ncccc12 ZINC000123516778 823516294 /nfs/dbraw/zinc/51/62/94/823516294.db2.gz QXMCSTSUJQDSON-AVGNSLFASA-N 1 0 383.521 4.195 20 0 GIADRO CCCOc1ccc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1OCC ZINC000032462735 820949938 /nfs/dbraw/zinc/94/99/38/820949938.db2.gz NWSUJPHXKOXISI-UHFFFAOYSA-N 1 0 396.531 4.400 20 0 GIADRO O=C(Nc1ccc(Cl)cc1-n1cccn1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000189946128 823516816 /nfs/dbraw/zinc/51/68/16/823516816.db2.gz FHOKVNVVZRCXSO-DNVCBOLYSA-N 1 0 399.926 4.006 20 0 GIADRO C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000032483513 820956899 /nfs/dbraw/zinc/95/68/99/820956899.db2.gz NDZVCPIHFJFTHE-GDBMZVCRSA-N 1 0 395.330 4.050 20 0 GIADRO CN(C[C@@H]1CCC[N@H+](Cc2cc(F)cc3cccnc32)C1)C(=O)OC(C)(C)C ZINC000060339780 823517058 /nfs/dbraw/zinc/51/70/58/823517058.db2.gz CPQROKLXXPWFDP-INIZCTEOSA-N 1 0 387.499 4.453 20 0 GIADRO Cc1ccc(-c2ocnc2C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000460806435 823517552 /nfs/dbraw/zinc/51/75/52/823517552.db2.gz PHPMBJDWRHXCLZ-HXUWFJFHSA-N 1 0 375.472 4.217 20 0 GIADRO C[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000460806359 823517561 /nfs/dbraw/zinc/51/75/61/823517561.db2.gz PAZVTLFHXBUFKR-RBUKOAKNSA-N 1 0 377.315 4.475 20 0 GIADRO Cc1ccc(N(C)C(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000060352061 823518431 /nfs/dbraw/zinc/51/84/31/823518431.db2.gz NDCDMNQOCQMRAU-FQEVSTJZSA-N 1 0 376.422 4.412 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)c2cccnc2SC(F)(F)F)[NH+]2CCCC2)o1 ZINC000060354879 823518811 /nfs/dbraw/zinc/51/88/11/823518811.db2.gz RELJZVQKZJOMOP-CQSZACIVSA-N 1 0 399.438 4.162 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)c2cccn2Cc2ccccc2)[NH+]2CCCC2)o1 ZINC000060355111 823518835 /nfs/dbraw/zinc/51/88/35/823518835.db2.gz RDFQMTMWJALIFS-OAQYLSRUSA-N 1 0 377.488 4.005 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@H](C)Cc2cccs2)ccc1S(=O)(=O)C(F)F ZINC000177742739 823519217 /nfs/dbraw/zinc/51/92/17/823519217.db2.gz ODRDDXLAMFIISI-NEPJUHHUSA-N 1 0 389.489 4.035 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1cc(Cl)ccc1Br)c1cccc(F)c1 ZINC000032731392 820998693 /nfs/dbraw/zinc/99/86/93/820998693.db2.gz LDYBTZUGHLOIQY-MRXNPFEDSA-N 1 0 399.691 4.274 20 0 GIADRO Cc1noc(Cl)c1CCC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000060368248 823520449 /nfs/dbraw/zinc/52/04/49/823520449.db2.gz UAOHAIATFUFQBZ-UHFFFAOYSA-N 1 0 389.927 4.117 20 0 GIADRO C[C@H]1C[NH+](CC2CCN(Cc3csc(C4CCCC4)n3)CC2)C[C@H](C)O1 ZINC000060368409 823520450 /nfs/dbraw/zinc/52/04/50/823520450.db2.gz CEDGNBIAFPVZLS-IRXDYDNUSA-N 1 0 377.598 4.122 20 0 GIADRO CCc1ccc([C@@H](CNC(=O)CCC(=O)c2ccc(Cl)cc2)[NH+](C)C)cc1 ZINC000032735510 821001009 /nfs/dbraw/zinc/00/10/09/821001009.db2.gz YKKPVZUAHOEYCY-HXUWFJFHSA-N 1 0 386.923 4.284 20 0 GIADRO C[C@@H](CNC(=O)CCc1ncc(-c2ccccc2Cl)o1)[N@@H+]1CCCC[C@H]1C ZINC000032735088 821001291 /nfs/dbraw/zinc/00/12/91/821001291.db2.gz CTCCOOGMMLFNFP-CVEARBPZSA-N 1 0 389.927 4.307 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)CCCc1nc2ccccc2[nH]1 ZINC000032738015 821002035 /nfs/dbraw/zinc/00/20/35/821002035.db2.gz WBGWCWPQHYVBBB-UHFFFAOYSA-N 1 0 378.520 4.042 20 0 GIADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccc(Br)s1 ZINC000032761214 821003681 /nfs/dbraw/zinc/00/36/81/821003681.db2.gz HQWZSUAGPZIRNX-LLVKDONJSA-N 1 0 385.352 4.139 20 0 GIADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccc(F)cc1Br ZINC000032761784 821004561 /nfs/dbraw/zinc/00/45/61/821004561.db2.gz AQJKNJNJAOIYJU-HNNXBMFYSA-N 1 0 397.313 4.217 20 0 GIADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1csc(Br)c1 ZINC000032762912 821004998 /nfs/dbraw/zinc/00/49/98/821004998.db2.gz LSINCGUMVXCMQS-GFCCVEGCSA-N 1 0 385.352 4.139 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1)c1ccc(-n2cccn2)cc1 ZINC000177754566 823521006 /nfs/dbraw/zinc/52/10/06/823521006.db2.gz GOIREBMAPCJBRK-DLBZAZTESA-N 1 0 376.460 4.241 20 0 GIADRO O=C(Cc1ccc(Br)cc1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000032763295 821005519 /nfs/dbraw/zinc/00/55/19/821005519.db2.gz LIWUUYUMSOOHKN-MRXNPFEDSA-N 1 0 393.350 4.006 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1csc(-c2cccc(Cl)c2)n1 ZINC000177755391 823521204 /nfs/dbraw/zinc/52/12/04/823521204.db2.gz NOAQTNYCNAREMG-CVEARBPZSA-N 1 0 375.925 4.162 20 0 GIADRO CCN1CC[NH+](C[C@H](C)CNc2ncnc3sc(-c4ccccc4)cc32)CC1 ZINC000060380180 823521882 /nfs/dbraw/zinc/52/18/82/823521882.db2.gz NCJXMQBWCJQRCH-QGZVFWFLSA-N 1 0 395.576 4.044 20 0 GIADRO CC[NH+]1CCC(N(C)C(=O)c2sc(-c3ccc(Cl)s3)nc2C)CC1 ZINC000123578654 823523337 /nfs/dbraw/zinc/52/33/37/823523337.db2.gz ABESMWSFCHUSLA-UHFFFAOYSA-N 1 0 383.970 4.390 20 0 GIADRO CCCOc1c(Cl)cc(C(=O)N(C)C2CC[NH+](CCC)CC2)cc1OC ZINC000060404562 823524114 /nfs/dbraw/zinc/52/41/14/823524114.db2.gz SXLZFNDHQJYMSP-UHFFFAOYSA-N 1 0 382.932 4.084 20 0 GIADRO COc1cc(C[NH2+][C@H]2COc3ccc(C)cc32)ccc1OCc1ccncc1 ZINC000123631449 823527849 /nfs/dbraw/zinc/52/78/49/823527849.db2.gz AKAQAHFTYWTFOH-FQEVSTJZSA-N 1 0 376.456 4.201 20 0 GIADRO CCOCCC1(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCC1 ZINC000123632651 823527927 /nfs/dbraw/zinc/52/79/27/823527927.db2.gz RBDUVZHZCXCZCB-FRIKZZABSA-N 1 0 399.579 4.078 20 0 GIADRO CC1CC[NH+](Cc2ccccc2CNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)CC1 ZINC000060441262 823528034 /nfs/dbraw/zinc/52/80/34/823528034.db2.gz UQBJMNAOWFYNOG-XZOQPEGZSA-N 1 0 380.507 4.478 20 0 GIADRO COc1ccc(-c2ccc(C(=O)N3CCC[C@@H]3C[NH+]3CCCC3)c(F)c2)cc1 ZINC000035931731 821067187 /nfs/dbraw/zinc/06/71/87/821067187.db2.gz GFDUTEZRBVSPIS-LJQANCHMSA-N 1 0 382.479 4.202 20 0 GIADRO C[C@H]([NH2+]C[C@H](c1cccc(F)c1)N1CCOCC1)c1ccc2ccccc2n1 ZINC000177810263 823528787 /nfs/dbraw/zinc/52/87/87/823528787.db2.gz UKPAZVSXNLTFSL-GAJHUEQPSA-N 1 0 379.479 4.098 20 0 GIADRO COc1ccc(CCC(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)cc1 ZINC000036099698 821068957 /nfs/dbraw/zinc/06/89/57/821068957.db2.gz ITKGKSWZDZRDRC-NRFANRHFSA-N 1 0 386.923 4.235 20 0 GIADRO COc1ccc(CCC(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)cc1 ZINC000036099701 821069083 /nfs/dbraw/zinc/06/90/83/821069083.db2.gz ITKGKSWZDZRDRC-OAQYLSRUSA-N 1 0 386.923 4.235 20 0 GIADRO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000036664147 821074706 /nfs/dbraw/zinc/07/47/06/821074706.db2.gz HPHZBWDWGMWZAM-YOEHRIQHSA-N 1 0 393.314 4.151 20 0 GIADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2cc(C(F)(F)F)ccc2Br)C1 ZINC000123655241 823529428 /nfs/dbraw/zinc/52/94/28/823529428.db2.gz VPAHHVLDOVDERB-NEPJUHHUSA-N 1 0 393.247 4.071 20 0 GIADRO Cc1ccc(Oc2ccccc2NC(=O)CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000123591731 823524262 /nfs/dbraw/zinc/52/42/62/823524262.db2.gz TUABHDAJADAJOC-MOPGFXCFSA-N 1 0 381.520 4.140 20 0 GIADRO CCOCCC[N@@H+]1CC[C@H](NCc2ccccc2Oc2cccnc2)[C@H](C)C1 ZINC000190008072 823524991 /nfs/dbraw/zinc/52/49/91/823524991.db2.gz XOIOQFFAFMQCEZ-KNQAVFIVSA-N 1 0 383.536 4.101 20 0 GIADRO CCN(C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1)[C@@H]1CCOC(C)(C)C1 ZINC000460834319 823525128 /nfs/dbraw/zinc/52/51/28/823525128.db2.gz AHAAMMXVQCNZHO-OFNKIYASSA-N 1 0 387.568 4.030 20 0 GIADRO COc1c(Br)cc(C[NH2+]C(C2CC2)C2CC2)cc1Br ZINC000037230179 821091270 /nfs/dbraw/zinc/09/12/70/821091270.db2.gz OEFDYXRFSURVGM-UHFFFAOYSA-N 1 0 389.131 4.498 20 0 GIADRO CC(C)[C@H](CC(F)(F)F)NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460835615 823525281 /nfs/dbraw/zinc/52/52/81/823525281.db2.gz LPBBGKRPOOZYIG-OTWHNJEPSA-N 1 0 397.485 4.127 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)c1ccccc1C(F)(F)F)c1ccc(N2CCCC2=O)cc1 ZINC000177779939 823525385 /nfs/dbraw/zinc/52/53/85/823525385.db2.gz LGSRWOWLIQAOFO-AUUYWEPGSA-N 1 0 392.421 4.216 20 0 GIADRO COc1cccc(C[NH+]2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)c1 ZINC000038853475 821100761 /nfs/dbraw/zinc/10/07/61/821100761.db2.gz BJYMJEMQUBMSAW-UHFFFAOYSA-N 1 0 376.859 4.338 20 0 GIADRO COc1ccc(CC(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)cc1F ZINC000060425990 823526027 /nfs/dbraw/zinc/52/60/27/823526027.db2.gz FNCOFTKRJPEVSP-QGZVFWFLSA-N 1 0 384.495 4.068 20 0 GIADRO CCN(C(=O)c1ccc(C(F)(F)F)nc1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000123615334 823526128 /nfs/dbraw/zinc/52/61/28/823526128.db2.gz SPGGJEZCPIXWRD-YJBOKZPZSA-N 1 0 391.437 4.398 20 0 GIADRO CC(C)Cn1c(Cc2ccsc2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000460844138 823526881 /nfs/dbraw/zinc/52/68/81/823526881.db2.gz BHKBQAHEKWPTQO-UHFFFAOYSA-N 1 0 387.597 4.041 20 0 GIADRO CC(C)N(C)C(=O)C1CCN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)CC1 ZINC000123673222 823530650 /nfs/dbraw/zinc/53/06/50/823530650.db2.gz TYJUWZBPGWJGKE-UHFFFAOYSA-N 1 0 379.426 4.337 20 0 GIADRO Cc1cc(C[NH2+]C2(c3ccc(OCc4ccccc4)cc3)CCOCC2)on1 ZINC000177821571 823531017 /nfs/dbraw/zinc/53/10/17/823531017.db2.gz WUQSZUDMYSTOBV-UHFFFAOYSA-N 1 0 378.472 4.358 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)NC[C@H]2CC[C@@H](c3ccccc3)O2)cc1)C1CC1 ZINC000460863454 823531629 /nfs/dbraw/zinc/53/16/29/823531629.db2.gz RELNOFMHQAXYPD-PKTZIBPZSA-N 1 0 378.516 4.321 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1cccnc1Oc1ccccc1)c1cccs1 ZINC000040121148 821142559 /nfs/dbraw/zinc/14/25/59/821142559.db2.gz DNLJPDUXJCUHCB-QGZVFWFLSA-N 1 0 382.489 4.360 20 0 GIADRO C[N@@H+](Cc1ccc(Cl)s1)C[C@H](O)COc1ccc(Br)cc1 ZINC000060474420 823531964 /nfs/dbraw/zinc/53/19/64/823531964.db2.gz DVOKWAROHALXFL-LBPRGKRZSA-N 1 0 390.730 4.036 20 0 GIADRO COc1cc(C)ccc1OCC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000060475334 823532189 /nfs/dbraw/zinc/53/21/89/823532189.db2.gz BOFFYFRFONMFRT-LJQANCHMSA-N 1 0 396.531 4.073 20 0 GIADRO CC(C)Cn1c(-c2ccoc2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000460866328 823532319 /nfs/dbraw/zinc/53/23/19/823532319.db2.gz WLGYWLFZPSXIKQ-UHFFFAOYSA-N 1 0 397.498 4.046 20 0 GIADRO COCc1cccc(C[NH2+]C[C@H](O)c2cccc(OCc3ccccc3)c2)c1 ZINC000177831499 823532848 /nfs/dbraw/zinc/53/28/48/823532848.db2.gz JVVPNMDYUSPZKP-DEOSSOPVSA-N 1 0 377.484 4.235 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc2nc(C)c(C)nc2c1)c1ccccc1 ZINC000040654283 821163517 /nfs/dbraw/zinc/16/35/17/821163517.db2.gz LTLIXIHFJUBPMD-QFIPXVFZSA-N 1 0 376.504 4.060 20 0 GIADRO C[C@H]([NH2+]C[C@@H](c1cccs1)N1CCOCC1)c1ccc(OC(F)F)cc1 ZINC000123701891 823533159 /nfs/dbraw/zinc/53/31/59/823533159.db2.gz OKSQZPGCJRQYOD-YOEHRIQHSA-N 1 0 382.476 4.074 20 0 GIADRO CN(CCc1cccc(Br)c1)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000461113179 823579927 /nfs/dbraw/zinc/57/99/27/823579927.db2.gz WDJVHBFBESYNQU-UHFFFAOYSA-N 1 0 390.325 4.217 20 0 GIADRO Cc1oc(-c2ccccc2)nc1CC(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000041401194 821188745 /nfs/dbraw/zinc/18/87/45/821188745.db2.gz ZIBWUIJUZIZWPA-NRFANRHFSA-N 1 0 383.536 4.065 20 0 GIADRO CCC(CC)n1ncc(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1C ZINC000123720784 823534784 /nfs/dbraw/zinc/53/47/84/823534784.db2.gz QMDAHFRGWKMSQL-JXFKEZNVSA-N 1 0 388.581 4.427 20 0 GIADRO Brc1cccc(C2([NH2+]Cc3cnn(Cc4ccccc4)c3)CC2)c1 ZINC000123736676 823536072 /nfs/dbraw/zinc/53/60/72/823536072.db2.gz HIFXGIALGKRYJR-UHFFFAOYSA-N 1 0 382.305 4.473 20 0 GIADRO CCOCCCNC(=O)C1CC[NH+](Cc2sc3ccccc3c2Cl)CC1 ZINC000041623015 821215208 /nfs/dbraw/zinc/21/52/08/821215208.db2.gz UTNREHUAIYNZLR-UHFFFAOYSA-N 1 0 394.968 4.310 20 0 GIADRO C[C@H]([NH2+]C[C@@H]1CCCOC1)c1ccc(Br)cc1Br ZINC000041660264 821215691 /nfs/dbraw/zinc/21/56/91/821215691.db2.gz PECPTLDDTMAXOT-QWRGUYRKSA-N 1 0 377.120 4.289 20 0 GIADRO C[C@@H]([NH2+]CCc1cccnc1)c1ccc(Br)cc1Br ZINC000041652876 821215812 /nfs/dbraw/zinc/21/58/12/821215812.db2.gz ZTJVRQSZYLRIRI-LLVKDONJSA-N 1 0 384.115 4.500 20 0 GIADRO Cc1nc(CSc2ccc(C(=O)NCC3([NH+](C)C)CCCC3)cc2)cs1 ZINC000041671135 821216560 /nfs/dbraw/zinc/21/65/60/821216560.db2.gz PTVDJVUEKQHNEG-UHFFFAOYSA-N 1 0 389.590 4.348 20 0 GIADRO Cc1nc(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)c(Br)s1 ZINC000411048189 823537623 /nfs/dbraw/zinc/53/76/23/823537623.db2.gz NVEASMRJMRYFTE-ZDUSSCGKSA-N 1 0 380.311 4.015 20 0 GIADRO CC1(C)[C@@H](c2ccccc2)C[C@@H]1Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000123755632 823537824 /nfs/dbraw/zinc/53/78/24/823537824.db2.gz ABRVPCZRLJNBET-PKTZIBPZSA-N 1 0 391.559 4.378 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)Nc1ccccc1-c1ccccc1 ZINC000041786457 821229791 /nfs/dbraw/zinc/22/97/91/821229791.db2.gz ONKJOKMCLXEDHQ-LJQANCHMSA-N 1 0 393.531 4.063 20 0 GIADRO CCCOc1ccc(NC(=O)N(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)cc1OCCC ZINC000177861918 823537926 /nfs/dbraw/zinc/53/79/26/823537926.db2.gz CSZRXWKSTXYNRS-HKUYNNGSSA-N 1 0 391.556 4.458 20 0 GIADRO O=C(Cc1cccc2cccnc21)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000041816150 821233213 /nfs/dbraw/zinc/23/32/13/821233213.db2.gz XWOOUSPWOQFODN-OAQYLSRUSA-N 1 0 393.918 4.384 20 0 GIADRO COc1cccc([C@@H](CNC(=O)c2c(F)cccc2Cl)[NH+]2CCCC2)c1 ZINC000041816126 821233316 /nfs/dbraw/zinc/23/33/16/821233316.db2.gz CVIUXQZVGPSZRJ-GOSISDBHSA-N 1 0 376.859 4.055 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)c2sc(-c3ccccc3)nc2C)C1 ZINC000177863397 823538140 /nfs/dbraw/zinc/53/81/40/823538140.db2.gz OGJYBPPIUVIQGB-IRXDYDNUSA-N 1 0 386.565 4.163 20 0 GIADRO Cc1cc(CSc2ccccc2C(=O)NCCC[N@H+]2CCCC[C@H]2C)on1 ZINC000041822722 821234127 /nfs/dbraw/zinc/23/41/27/821234127.db2.gz JFHWDIKIDXTABC-QGZVFWFLSA-N 1 0 387.549 4.270 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)NC2(c3noc(C)n3)CCCCCC2)cc1 ZINC000041840883 821235815 /nfs/dbraw/zinc/23/58/15/821235815.db2.gz QFCBMNGFMVGIPO-UHFFFAOYSA-N 1 0 384.524 4.199 20 0 GIADRO CS(=O)(=O)c1cccc([C@@H]([NH2+]CCc2ccccc2)c2ccc(F)cc2)c1 ZINC000123765232 823538610 /nfs/dbraw/zinc/53/86/10/823538610.db2.gz RWGUDVFNBMWRED-QFIPXVFZSA-N 1 0 383.488 4.151 20 0 GIADRO C[C@H]([NH2+]Cc1cc2ccccc2[nH]c1=O)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000123765136 823538649 /nfs/dbraw/zinc/53/86/49/823538649.db2.gz RYVCNBWUWOCRFL-INIZCTEOSA-N 1 0 398.466 4.439 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(OCc2ccccn2)cc1)c1ccco1 ZINC000460913447 823541190 /nfs/dbraw/zinc/54/11/90/823541190.db2.gz YNTNQXORQMLMQL-OAQYLSRUSA-N 1 0 393.487 4.067 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2cccc(C(=O)N3CCCCC3)c2)c1 ZINC000177874291 823539794 /nfs/dbraw/zinc/53/97/94/823539794.db2.gz ZSBIPCSEWICPFF-KRWDZBQOSA-N 1 0 379.504 4.122 20 0 GIADRO O=C(Nc1ccc(Br)cc1F)c1cccc(C[NH+]2CCCC2)c1 ZINC000060549692 823541353 /nfs/dbraw/zinc/54/13/53/823541353.db2.gz XTYJYNJFMDKXBJ-UHFFFAOYSA-N 1 0 377.257 4.436 20 0 GIADRO CC(C)c1ccccc1NC(=O)[C@@H](C)[NH2+]CC1(N2CCSCC2)CCCC1 ZINC000042183553 821280115 /nfs/dbraw/zinc/28/01/15/821280115.db2.gz FASJUKIGGGNQQM-GOSISDBHSA-N 1 0 389.609 4.088 20 0 GIADRO COc1cc(C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)ccn1 ZINC000042208465 821284746 /nfs/dbraw/zinc/28/47/46/821284746.db2.gz VJZBRWQYLZZNTI-UHFFFAOYSA-N 1 0 384.483 4.292 20 0 GIADRO CCN(Cc1ccccc1)c1ccc(C[NH2+]C2CCN(C(=O)C3CC3)CC2)cc1 ZINC000042209323 821284992 /nfs/dbraw/zinc/28/49/92/821284992.db2.gz NRMJKJONZPHBII-UHFFFAOYSA-N 1 0 391.559 4.204 20 0 GIADRO Cc1nn(Cc2ccccc2Cl)c(Cl)c1CNC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000042229149 821288832 /nfs/dbraw/zinc/28/88/32/821288832.db2.gz BQNAWUGYHCVBMV-OAHLLOKOSA-N 1 0 393.362 4.121 20 0 GIADRO C[C@@H]([NH2+]C(c1ccccc1)c1ccccc1)C(=O)N1CCc2sccc2C1 ZINC000042287760 821295410 /nfs/dbraw/zinc/29/54/10/821295410.db2.gz XVPAHEZUPVXRMM-QGZVFWFLSA-N 1 0 376.525 4.401 20 0 GIADRO CC(C)[C@H](CNC(=O)N1CCC(C(=O)c2ccccc2)CC1)[NH+]1CCC(C)CC1 ZINC000042343095 821302487 /nfs/dbraw/zinc/30/24/87/821302487.db2.gz WPNLVZHMBAZQDV-QFIPXVFZSA-N 1 0 399.579 4.047 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)N1CC=C(c2ccc(O)cc2)CC1)c1ccsc1 ZINC000042346226 821302893 /nfs/dbraw/zinc/30/28/93/821302893.db2.gz YFSNTJBKLRCPDE-NRFANRHFSA-N 1 0 399.560 4.336 20 0 GIADRO COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]2c2cccs2)c1 ZINC000042356108 821304198 /nfs/dbraw/zinc/30/41/98/821304198.db2.gz GCFAKMQIMWCIPZ-RLFYNMQTSA-N 1 0 388.533 4.168 20 0 GIADRO O[C@H](COc1ccc2ccccc2c1)C[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000042634973 821316450 /nfs/dbraw/zinc/31/64/50/821316450.db2.gz ZJIJNWMAOIUOTC-UKILVPOCSA-N 1 0 391.511 4.025 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc3c(c2)CCCC3)c1 ZINC000042636593 821317690 /nfs/dbraw/zinc/31/76/90/821317690.db2.gz OTZNHYNJSRFKIL-HOTGVXAUSA-N 1 0 379.504 4.202 20 0 GIADRO O=C(Nc1ccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1)NC1CC1 ZINC000042661682 821322075 /nfs/dbraw/zinc/32/20/75/821322075.db2.gz KYJHHDNTKGKXKE-UHFFFAOYSA-N 1 0 392.503 4.209 20 0 GIADRO CCCNC(=O)C1CC[NH+](Cc2cc3ccc(SC)cc3nc2Cl)CC1 ZINC000042686164 821324631 /nfs/dbraw/zinc/32/46/31/821324631.db2.gz LDTVWJBVFGVUKV-UHFFFAOYSA-N 1 0 391.968 4.348 20 0 GIADRO CC1(C)CC(NC(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)CC(C)(C)[NH2+]1 ZINC000042908501 821344107 /nfs/dbraw/zinc/34/41/07/821344107.db2.gz NKJOODRUTZJFBO-HNNXBMFYSA-N 1 0 384.524 4.026 20 0 GIADRO CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)Nc2ccccc2C[NH+](C)C)CC1=O ZINC000042752540 821330630 /nfs/dbraw/zinc/33/06/30/821330630.db2.gz ODQIKUICEBCOMQ-IEBWSBKVSA-N 1 0 393.531 4.253 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cc(C2CC2)n(C(C)(C)C)n1 ZINC000042766213 821331972 /nfs/dbraw/zinc/33/19/72/821331972.db2.gz QVZRFKCIODEMQG-UHFFFAOYSA-N 1 0 382.552 4.287 20 0 GIADRO COc1cc(C(=O)N(C)C2CC[NH+](C(C)C)CC2)cc(Cl)c1OCC(C)C ZINC000043114867 821362873 /nfs/dbraw/zinc/36/28/73/821362873.db2.gz XUGKGSNNJGNKFN-UHFFFAOYSA-N 1 0 396.959 4.328 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)Nc1ccccc1Br ZINC000043133021 821364953 /nfs/dbraw/zinc/36/49/53/821364953.db2.gz LMSXPSLGAJVYPH-UHFFFAOYSA-N 1 0 388.309 4.367 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)N[C@@H](c1ccco1)c1ccccc1 ZINC000043137225 821366308 /nfs/dbraw/zinc/36/63/08/821366308.db2.gz NZUUQTLURFRUAC-SIKLNZKXSA-N 1 0 393.487 4.488 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N[C@@H](c1ccco1)c1ccccc1 ZINC000043137227 821366567 /nfs/dbraw/zinc/36/65/67/821366567.db2.gz NZUUQTLURFRUAC-DENIHFKCSA-N 1 0 393.487 4.488 20 0 GIADRO C[C@@H]1C[C@H]1c1ccc(CN(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)C2CC2)o1 ZINC000043143857 821367314 /nfs/dbraw/zinc/36/73/14/821367314.db2.gz SZBMLQBKJUODNJ-OLMNPRSZSA-N 1 0 387.549 4.441 20 0 GIADRO CCN(C(=O)NC[C@@H](c1cccs1)[NH+](C)C)[C@@H](C)c1cccc(OC)c1 ZINC000043144189 821367684 /nfs/dbraw/zinc/36/76/84/821367684.db2.gz CVEHKRAKFJVWHY-YJBOKZPZSA-N 1 0 375.538 4.152 20 0 GIADRO CCOc1ccc([C@H]2CCCN2C(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1 ZINC000043146178 821367832 /nfs/dbraw/zinc/36/78/32/821367832.db2.gz KLBWRIJFYGSVTO-MOPGFXCFSA-N 1 0 387.549 4.296 20 0 GIADRO Cc1ccc(Br)cc1NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000043166996 821371750 /nfs/dbraw/zinc/37/17/50/821371750.db2.gz YNVXWNIDJJUWLD-MRXNPFEDSA-N 1 0 392.297 4.309 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N[C@H](c1ccco1)c1ccccc1 ZINC000043167503 821372083 /nfs/dbraw/zinc/37/20/83/821372083.db2.gz JEMILUKIQVKQLB-NQIIRXRSSA-N 1 0 379.460 4.098 20 0 GIADRO CCOc1ccc([C@@H]2CCCN2C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000043167483 821372131 /nfs/dbraw/zinc/37/21/31/821372131.db2.gz ALWMWXIDTIHLFB-SFTDATJTSA-N 1 0 397.519 4.362 20 0 GIADRO CCOc1ccc([C@H]2CCCN2C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000043167486 821372293 /nfs/dbraw/zinc/37/22/93/821372293.db2.gz ALWMWXIDTIHLFB-NHCUHLMSSA-N 1 0 397.519 4.362 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N[C@@H](c1ccco1)c1ccccc1 ZINC000043167502 821372352 /nfs/dbraw/zinc/37/23/52/821372352.db2.gz JEMILUKIQVKQLB-GHTZIAJQSA-N 1 0 379.460 4.098 20 0 GIADRO COC(=O)c1oc([C@H](C)[NH+]2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)cc1C ZINC000180631050 821375706 /nfs/dbraw/zinc/37/57/06/821375706.db2.gz GXVUJJCOXOLOCG-CABCVRRESA-N 1 0 394.512 4.061 20 0 GIADRO CN(Cc1ccc(F)c(F)c1)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000043231251 821377797 /nfs/dbraw/zinc/37/77/97/821377797.db2.gz UTJCCFTYKPNPQH-QGZVFWFLSA-N 1 0 379.476 4.005 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)Nc1ccccc1N1CCCCC1 ZINC000180638718 821378351 /nfs/dbraw/zinc/37/83/51/821378351.db2.gz XEAGQACWQUMJCH-UHFFFAOYSA-N 1 0 393.535 4.110 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCCC1)Nc1ccc(F)c(F)c1F ZINC000043233367 821378871 /nfs/dbraw/zinc/37/88/71/821378871.db2.gz VJIDSMJEYADQJA-UHFFFAOYSA-N 1 0 377.410 4.412 20 0 GIADRO Cn1ccnc1[C@H](O)[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3Cl)o2)C1 ZINC000180653753 821383627 /nfs/dbraw/zinc/38/36/27/821383627.db2.gz ICLRIGZJRPEQPA-MGPUTAFESA-N 1 0 385.895 4.279 20 0 GIADRO CC1CC[NH+](Cc2ccc(NC(=O)[C@@H]3CC(=O)Nc4cc(F)ccc43)cc2)CC1 ZINC000043268097 821383724 /nfs/dbraw/zinc/38/37/24/821383724.db2.gz ZNKULXVEYGDYMB-HXUWFJFHSA-N 1 0 395.478 4.122 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)Cc2nc(-c3ccccc3)oc2C)c1 ZINC000043274073 821385130 /nfs/dbraw/zinc/38/51/30/821385130.db2.gz SIDMBQJMZGIEHN-UHFFFAOYSA-N 1 0 391.515 4.351 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc3nc(NC(C)=O)sc3c2)cc1 ZINC000043273540 821385147 /nfs/dbraw/zinc/38/51/47/821385147.db2.gz TVMBMASIHRQRIQ-UHFFFAOYSA-N 1 0 396.516 4.349 20 0 GIADRO COc1cc2c(cc1NC(=O)NC[C@@H]1CC[N@@H+](C3CC3)C1)oc1ccccc12 ZINC000043278761 821386141 /nfs/dbraw/zinc/38/61/41/821386141.db2.gz QMTBSEYJQNGRTP-AWEZNQCLSA-N 1 0 379.460 4.200 20 0 GIADRO COC(=O)CC[C@@H]([NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1)c1ccccc1 ZINC000180670842 821389639 /nfs/dbraw/zinc/38/96/39/821389639.db2.gz AQFPIAQWTSQHHW-LAUBAEHRSA-N 1 0 380.488 4.159 20 0 GIADRO O=C(c1cccc(Br)c1Cl)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000180675103 821391542 /nfs/dbraw/zinc/39/15/42/821391542.db2.gz RGFWTQQECQPTJE-CYBMUJFWSA-N 1 0 385.733 4.193 20 0 GIADRO Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000180690312 821396479 /nfs/dbraw/zinc/39/64/79/821396479.db2.gz KYTVLQZRAIYMDP-KDOFPFPSSA-N 1 0 380.410 4.054 20 0 GIADRO C[C@H](NC[C@H](O)c1cccc(C(F)(F)F)c1)c1ncc(Br)s1 ZINC000180691463 821397256 /nfs/dbraw/zinc/39/72/56/821397256.db2.gz SPQAQSXAUBBYAH-KWQFWETISA-N 1 0 395.244 4.309 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1)c1cccc(N2CCOC2=O)c1 ZINC000180692811 821398374 /nfs/dbraw/zinc/39/83/74/821398374.db2.gz YFCGVDQDQREFSA-FZKQIMNGSA-N 1 0 394.393 4.046 20 0 GIADRO COc1ccccc1[C@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1ccccc1 ZINC000180695299 821399349 /nfs/dbraw/zinc/39/93/49/821399349.db2.gz OMKZNRFUAJOBFY-HSZRJFAPSA-N 1 0 390.483 4.272 20 0 GIADRO CCOc1cccc([C@H](C)[NH2+]CC(=O)Nc2c(C)nn(-c3ccccc3)c2C)c1 ZINC000180696495 821400117 /nfs/dbraw/zinc/40/01/17/821400117.db2.gz KOFQELGYTPYTFQ-INIZCTEOSA-N 1 0 392.503 4.177 20 0 GIADRO COc1cc(C)c(NC(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1OC ZINC000043404821 821402873 /nfs/dbraw/zinc/40/28/73/821402873.db2.gz SSUCTYJETYZGBX-UHFFFAOYSA-N 1 0 397.519 4.320 20 0 GIADRO CCOc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccccc2)cc1OCC ZINC000043416921 821405274 /nfs/dbraw/zinc/40/52/74/821405274.db2.gz ZJPQCJZUIPJGJS-UHFFFAOYSA-N 1 0 385.508 4.080 20 0 GIADRO Cc1cc(Br)ccc1NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000043449139 821408382 /nfs/dbraw/zinc/40/83/82/821408382.db2.gz JDJTWQRCESQPSW-MRXNPFEDSA-N 1 0 392.297 4.309 20 0 GIADRO C[C@@H]([NH2+]CCc1nc(-c2ccc(Cl)cc2)no1)c1ccc([S@@](C)=O)cc1 ZINC000180707994 821409075 /nfs/dbraw/zinc/40/90/75/821409075.db2.gz KNNDPMMNVGXQGA-ZBSNKRKSSA-N 1 0 389.908 4.021 20 0 GIADRO O=C(NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)Nc1cccc2ccccc21 ZINC000180709612 821409500 /nfs/dbraw/zinc/40/95/00/821409500.db2.gz YCDHFSBOZCUKBM-OAQYLSRUSA-N 1 0 389.499 4.118 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)Nc1ccccc1N1CCCC1 ZINC000043485957 821414124 /nfs/dbraw/zinc/41/41/24/821414124.db2.gz UKLIQGVODRHKFZ-FQEVSTJZSA-N 1 0 382.508 4.229 20 0 GIADRO CCOc1cccc([C@@H](C)[NH2+]CC(=O)N[C@@H](c2nccs2)c2ccccc2)c1 ZINC000180718746 821416211 /nfs/dbraw/zinc/41/62/11/821416211.db2.gz GUDAZUJTBNMJPP-IIBYNOLFSA-N 1 0 395.528 4.098 20 0 GIADRO Cn1cc([C@H]([NH2+][C@@H]2CCN(c3cccc(Cl)c3)C2)c2cccc(F)c2)cn1 ZINC000180727264 821420199 /nfs/dbraw/zinc/42/01/99/821420199.db2.gz VEFAYKGEBNCYBV-TZIWHRDSSA-N 1 0 384.886 4.171 20 0 GIADRO C[C@H]([NH2+]CCCNC(=O)c1cccc(F)c1)c1cccc(-c2ccncc2)c1 ZINC000180728632 821420941 /nfs/dbraw/zinc/42/09/41/821420941.db2.gz KMXFSMDOBACOOK-KRWDZBQOSA-N 1 0 377.463 4.358 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)N2CCc3sccc3[C@H]2C)CC1 ZINC000043574448 821428636 /nfs/dbraw/zinc/42/86/36/821428636.db2.gz BAQGVTGPKXVGKJ-MRXNPFEDSA-N 1 0 384.549 4.041 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)N(C)Cc2ccc(Cl)s2)CC1 ZINC000043574931 821429271 /nfs/dbraw/zinc/42/92/71/821429271.db2.gz GOHKOISPJYKROA-UHFFFAOYSA-N 1 0 392.956 4.207 20 0 GIADRO COc1ccc([C@@H]([NH2+]CCCO[C@@H]2CCOC2)c2ccccc2Cl)cc1 ZINC000180754158 821435507 /nfs/dbraw/zinc/43/55/07/821435507.db2.gz GLPQWBIKNPMSHQ-WIYYLYMNSA-N 1 0 375.896 4.223 20 0 GIADRO O=C(CCC[NH2+][C@H]1CCCOc2cc3c(cc21)CCC3)N1Cc2ccccc2C1 ZINC000180757267 821437510 /nfs/dbraw/zinc/43/75/10/821437510.db2.gz FBOCZTHKTWHNRB-QHCPKHFHSA-N 1 0 390.527 4.301 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)c2ccc(-c3ccccc3)[nH]c2=O)CC1 ZINC000180759083 821438685 /nfs/dbraw/zinc/43/86/85/821438685.db2.gz WBNDOSVHEKTGJI-UHFFFAOYSA-N 1 0 395.547 4.016 20 0 GIADRO CC[NH+](CC)CCOc1ccc(NC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1 ZINC000043687129 821441357 /nfs/dbraw/zinc/44/13/57/821441357.db2.gz LMRTWLXHLGWUSZ-UHFFFAOYSA-N 1 0 395.503 4.008 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1=O)c1cccc(-c2ccncc2)c1 ZINC000180771907 821446382 /nfs/dbraw/zinc/44/63/82/821446382.db2.gz YENBZBDIXNSAOK-IIBYNOLFSA-N 1 0 375.447 4.344 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+][C@H]1CCN(c2ccccc2F)C1=O ZINC000180772522 821446518 /nfs/dbraw/zinc/44/65/18/821446518.db2.gz YRTYOQBNZYAOTG-GUYCJALGSA-N 1 0 396.491 4.109 20 0 GIADRO CCc1ccc([C@@H](CNC(=O)c2csc(Br)c2)[NH+](C)C)cc1 ZINC000043729091 821448227 /nfs/dbraw/zinc/44/82/27/821448227.db2.gz ZTLKIYBZBNITLL-OAHLLOKOSA-N 1 0 381.339 4.106 20 0 GIADRO O=C(c1ccccc1)N1CCC([NH2+]Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000180780580 821453062 /nfs/dbraw/zinc/45/30/62/821453062.db2.gz YVRJYQHBJLTMKQ-UHFFFAOYSA-N 1 0 376.456 4.466 20 0 GIADRO Cn1c2ccc(C(F)(F)F)cc2nc1CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000180782775 821455126 /nfs/dbraw/zinc/45/51/26/821455126.db2.gz RNNQUSLUXOSGFE-KDOFPFPSSA-N 1 0 392.469 4.041 20 0 GIADRO COc1ccc2cc(C[N@H+](C)CCC(=O)Nc3ccc4c(c3)OCO4)ccc2c1 ZINC000043783056 821457961 /nfs/dbraw/zinc/45/79/61/821457961.db2.gz BHURFLYEOBHTKY-UHFFFAOYSA-N 1 0 392.455 4.038 20 0 GIADRO C[C@H](NC(=O)Nc1ccccc1N1CC[NH+](C)CC1)c1cc2ccccc2o1 ZINC000043800486 821460892 /nfs/dbraw/zinc/46/08/92/821460892.db2.gz QEXVFETYLAMISJ-INIZCTEOSA-N 1 0 378.476 4.067 20 0 GIADRO COc1ccc(C[N@@H+]2CCCN(C(=O)/C=C/c3ccc(Cl)cc3)CC2)cc1 ZINC000043810235 821462627 /nfs/dbraw/zinc/46/26/27/821462627.db2.gz LRKMPSQIVUFSQI-KPKJPENVSA-N 1 0 384.907 4.096 20 0 GIADRO CCOC(=O)C1CCC([NH2+]CC2(c3ccc(Cl)cc3)CCOCC2)CC1 ZINC000180806462 821468953 /nfs/dbraw/zinc/46/89/53/821468953.db2.gz DIWAAVVZBDWILH-UHFFFAOYSA-N 1 0 379.928 4.100 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1ccccc1Br)Cc1ccccc1 ZINC000043844861 821470190 /nfs/dbraw/zinc/47/01/90/821470190.db2.gz MXWSYRHFEYOGKX-KRWDZBQOSA-N 1 0 389.337 4.132 20 0 GIADRO CCc1nn(C)c(CC)c1C[NH2+]CC1(c2ccc(Cl)cc2)CCOCC1 ZINC000180806934 821470286 /nfs/dbraw/zinc/47/02/86/821470286.db2.gz BAQBKGJFSRVPSD-UHFFFAOYSA-N 1 0 375.944 4.036 20 0 GIADRO COc1cccc([C@@H](CNC(=O)Nc2ccc(SC)cc2)[NH+]2CCCC2)c1 ZINC000043857749 821474352 /nfs/dbraw/zinc/47/43/52/821474352.db2.gz WBLVBIHMFVBUNJ-HXUWFJFHSA-N 1 0 385.533 4.376 20 0 GIADRO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3cccc(OCc4ccccc4F)c3)[C@@H]2C1 ZINC000180817444 821478046 /nfs/dbraw/zinc/47/80/46/821478046.db2.gz JJWPHNOUBFFEHK-UEVCKROQSA-N 1 0 385.479 4.173 20 0 GIADRO Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@H](C)CCc1ccco1 ZINC000180828884 821483870 /nfs/dbraw/zinc/48/38/70/821483870.db2.gz RPMNQVKVUJIHFM-CQSZACIVSA-N 1 0 379.298 4.290 20 0 GIADRO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2cccc(OCc3ccccc3Cl)c2)C1 ZINC000180829280 821484514 /nfs/dbraw/zinc/48/45/14/821484514.db2.gz WMMDFAJWIIYKMW-LJQANCHMSA-N 1 0 386.923 4.219 20 0 GIADRO Cc1cc(C)c(NC(=O)C[NH2+][C@H](C)c2ccc(-n3cccn3)cc2)c(Cl)c1 ZINC000180853755 821496218 /nfs/dbraw/zinc/49/62/18/821496218.db2.gz XXMFIHJKOHFJNO-MRXNPFEDSA-N 1 0 382.895 4.432 20 0 GIADRO CCCOc1c(Cl)cc(C(=O)NCc2cccc(C[NH+](C)C)c2)cc1OC ZINC000043966608 821496782 /nfs/dbraw/zinc/49/67/82/821496782.db2.gz ZSRREGFOTOQNLN-UHFFFAOYSA-N 1 0 390.911 4.129 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)[NH2+]CCc2nc3c(cccc3F)n2C)cc1 ZINC000180861344 821499446 /nfs/dbraw/zinc/49/94/46/821499446.db2.gz WQMRTZYTBAAJAE-HNNXBMFYSA-N 1 0 377.467 4.100 20 0 GIADRO CC(C)[NH+]1CCC(NC(=O)c2ccccc2SCc2cscn2)CC1 ZINC000044009577 821501049 /nfs/dbraw/zinc/50/10/49/821501049.db2.gz PSWNQCMXPFOSSP-UHFFFAOYSA-N 1 0 375.563 4.038 20 0 GIADRO CN(c1ccccc1CNc1ccccc1OCC(F)F)C1CC[NH+](C)CC1 ZINC000180866554 821502434 /nfs/dbraw/zinc/50/24/34/821502434.db2.gz DKCYEWOOZKVMLK-UHFFFAOYSA-N 1 0 389.490 4.473 20 0 GIADRO C[NH+](C)CCN(Cc1ccccc1)C(=O)Nc1cccc(OC(F)(F)F)c1 ZINC000044018018 821504729 /nfs/dbraw/zinc/50/47/29/821504729.db2.gz YUTSOEWEULDTFS-UHFFFAOYSA-N 1 0 381.398 4.181 20 0 GIADRO CC(C)CC(=O)Nc1ccc(NC(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1 ZINC000044031649 821507778 /nfs/dbraw/zinc/50/77/78/821507778.db2.gz KHQUKDLSPLHMTF-QGZVFWFLSA-N 1 0 388.537 4.157 20 0 GIADRO C[C@H]([NH2+]CC(=O)N[C@H]1CCOc2ccccc21)c1ccc(-c2ccncc2)cc1 ZINC000180884970 821513368 /nfs/dbraw/zinc/51/33/68/821513368.db2.gz DXTNZLCZIHFOQJ-JTSKRJEESA-N 1 0 387.483 4.039 20 0 GIADRO Cc1nc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(-c3ccncc3)cc2)sc1C ZINC000180886828 821514380 /nfs/dbraw/zinc/51/43/80/821514380.db2.gz HPPNASLGGWRQJE-LSDHHAIUSA-N 1 0 380.517 4.500 20 0 GIADRO Cc1nc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(-c3ccncc3)cc2)sc1C ZINC000180886850 821514488 /nfs/dbraw/zinc/51/44/88/821514488.db2.gz HPPNASLGGWRQJE-GJZGRUSLSA-N 1 0 380.517 4.500 20 0 GIADRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)NCC[C@H]2CCCCO2)cc1 ZINC000180887090 821514877 /nfs/dbraw/zinc/51/48/77/821514877.db2.gz STLVMBLXBUXFCZ-JOCHJYFZSA-N 1 0 395.547 4.174 20 0 GIADRO CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000180892680 821519521 /nfs/dbraw/zinc/51/95/21/821519521.db2.gz SWPAOFNMOFSCNH-GJZGRUSLSA-N 1 0 389.565 4.425 20 0 GIADRO C[C@](O)(C[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(F)cc1F ZINC000180898840 821523127 /nfs/dbraw/zinc/52/31/27/821523127.db2.gz BKERBZVDNYRFOQ-NRFANRHFSA-N 1 0 394.893 4.080 20 0 GIADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)Nc1cccc(NC(=O)C2CC2)c1 ZINC000044103016 821523902 /nfs/dbraw/zinc/52/39/02/821523902.db2.gz AEYMIMADZISQDN-GOSISDBHSA-N 1 0 398.532 4.055 20 0 GIADRO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CCc1nc2cc(F)ccc2n1C)CC3 ZINC000180907662 821529562 /nfs/dbraw/zinc/52/95/62/821529562.db2.gz LJLCNRWETWDQFQ-INIZCTEOSA-N 1 0 376.479 4.192 20 0 GIADRO COC(=O)COc1cccc(C[NH2+][C@H](C)c2ccc(OC)c3ccccc32)c1 ZINC000180909452 821530545 /nfs/dbraw/zinc/53/05/45/821530545.db2.gz WOMCWJMFRQJBMT-MRXNPFEDSA-N 1 0 379.456 4.251 20 0 GIADRO COc1ccc(CN2CC[C@H]([NH2+][C@H](C)c3ccccc3C(F)(F)F)C2=O)cc1 ZINC000180914191 821533966 /nfs/dbraw/zinc/53/39/66/821533966.db2.gz YRIJQLWXUSYKCW-KUHUBIRLSA-N 1 0 392.421 4.166 20 0 GIADRO COc1ccccc1CN(C)C(=O)C[NH2+][C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000180917177 821536681 /nfs/dbraw/zinc/53/66/81/821536681.db2.gz CEQSNRHQZUZPOF-GOSISDBHSA-N 1 0 389.499 4.066 20 0 GIADRO C[C@@H](NC(=O)[C@]1(C)CCCC[NH2+]1)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000180920121 821538606 /nfs/dbraw/zinc/53/86/06/821538606.db2.gz VGODEBPKNOJOQZ-ZHRRBRCNSA-N 1 0 380.492 4.040 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1ccnn1C1CCCC1)c1ccc(-c2ccncc2)cc1 ZINC000180925250 821541605 /nfs/dbraw/zinc/54/16/05/821541605.db2.gz GQSRCHYAVVANGD-QGZVFWFLSA-N 1 0 389.503 4.350 20 0 GIADRO COc1cc(Br)ccc1C[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000180933745 821545913 /nfs/dbraw/zinc/54/59/13/821545913.db2.gz OIUIRYSSIPBXEF-ZDUSSCGKSA-N 1 0 375.266 4.211 20 0 GIADRO Cn1cc([C@H]([NH2+]CCOc2ncc(Cl)cc2Cl)c2cccc(F)c2)cn1 ZINC000180946116 821551197 /nfs/dbraw/zinc/55/11/97/821551197.db2.gz YAUYWXGDKJGDKY-QGZVFWFLSA-N 1 0 395.265 4.019 20 0 GIADRO Brc1ccccc1[C@@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1ccccc1 ZINC000180949800 821552387 /nfs/dbraw/zinc/55/23/87/821552387.db2.gz ONBQCRVFPXXWDT-UZLBHIALSA-N 1 0 382.305 4.409 20 0 GIADRO C[C@H]([NH2+]CCC(=O)Nc1cc(N)ccc1F)c1ccc(OCC(F)(F)F)cc1 ZINC000180948999 821552515 /nfs/dbraw/zinc/55/25/15/821552515.db2.gz AGZYWNAMPSPMQX-LBPRGKRZSA-N 1 0 399.388 4.028 20 0 GIADRO CCc1nc2ccccc2n1C1CC[NH+](Cc2ccc(OC(C)=O)cc2)CC1 ZINC000180960985 821557957 /nfs/dbraw/zinc/55/79/57/821557957.db2.gz XZFCTNYRMHRFRL-UHFFFAOYSA-N 1 0 377.488 4.361 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)NCc2ccc(COCC(F)(F)F)cc2)c1 ZINC000044277262 821558407 /nfs/dbraw/zinc/55/84/07/821558407.db2.gz MDUHVUMVZCVANL-UHFFFAOYSA-N 1 0 395.425 4.149 20 0 GIADRO COc1cc(CN(C)C(=O)Nc2cccc(C[NH+](C)C)c2)ccc1OC(F)F ZINC000044276900 821558467 /nfs/dbraw/zinc/55/84/67/821558467.db2.gz PVUCKDOTZDQSBN-UHFFFAOYSA-N 1 0 393.434 4.022 20 0 GIADRO COc1ccc([C@H]2CCCN2C(=O)Nc2cccc(C[NH+](C)C)c2)cc1OC ZINC000044277226 821558538 /nfs/dbraw/zinc/55/85/38/821558538.db2.gz UZKWBGASJGZNFF-LJQANCHMSA-N 1 0 383.492 4.134 20 0 GIADRO C[C@H](NC(=O)Nc1cccc(C[NH+](C)C)c1)c1ccc(Br)cc1 ZINC000044292148 821561123 /nfs/dbraw/zinc/56/11/23/821561123.db2.gz HLIDYFIBHKDHQX-ZDUSSCGKSA-N 1 0 376.298 4.393 20 0 GIADRO COCOc1ccc(OC)cc1C[NH2+][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000180968668 821562635 /nfs/dbraw/zinc/56/26/35/821562635.db2.gz GGNFHYVZNNTKFO-GOSISDBHSA-N 1 0 377.868 4.335 20 0 GIADRO COc1cc(Br)ccc1C[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000180973787 821565927 /nfs/dbraw/zinc/56/59/27/821565927.db2.gz MQVCPYCVRKYRHR-YTEVENLXSA-N 1 0 382.323 4.046 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc2oc(C3CC3)nc2c1)c1cccc(F)c1 ZINC000044309219 821566030 /nfs/dbraw/zinc/56/60/30/821566030.db2.gz SYYMWTGYYNIEMX-SFHVURJKSA-N 1 0 382.439 4.269 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCC[C@@H](C(F)(F)F)C3)c(C)c2)CC1 ZINC000044313542 821568609 /nfs/dbraw/zinc/56/86/09/821568609.db2.gz DKXYLYDDDGWWOJ-IAGOWNOFSA-N 1 0 397.485 4.444 20 0 GIADRO CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000180980008 821570756 /nfs/dbraw/zinc/57/07/56/821570756.db2.gz ZBJCGQJGGNQCII-KSMMKXTCSA-N 1 0 381.925 4.170 20 0 GIADRO CCn1c2ccccc2nc1[C@H](C)[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000180994719 821581777 /nfs/dbraw/zinc/58/17/77/821581777.db2.gz UEDKJICCGFXCTH-CVEARBPZSA-N 1 0 378.476 4.425 20 0 GIADRO Cc1cccc(C[NH2+][C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)c1O ZINC000181014733 821594157 /nfs/dbraw/zinc/59/41/57/821594157.db2.gz CDIZNCNHERQBRU-GOSISDBHSA-N 1 0 392.421 4.000 20 0 GIADRO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NCc2ccc(Oc3ccccc3)o2)c1 ZINC000181016205 821595216 /nfs/dbraw/zinc/59/52/16/821595216.db2.gz AIOCRTIVSQUNAR-NRFANRHFSA-N 1 0 391.471 4.134 20 0 GIADRO Cc1cc(Br)oc1C(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000044507180 821597173 /nfs/dbraw/zinc/59/71/73/821597173.db2.gz AYCRDKITAXXLMX-UHFFFAOYSA-N 1 0 391.309 4.007 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)Nc2cccc(C)c2C(=O)N2CCCC2)cc1 ZINC000044537655 821601737 /nfs/dbraw/zinc/60/17/37/821601737.db2.gz DDRTUMAKZMVLMX-UHFFFAOYSA-N 1 0 393.531 4.325 20 0 GIADRO Cc1nc2ccccc2n1CC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000044552891 821607806 /nfs/dbraw/zinc/60/78/06/821607806.db2.gz PMNULXNEIQKXEK-SFHVURJKSA-N 1 0 390.531 4.036 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)CCCc2ncc(-c3ccccc3)o2)C1 ZINC000044583356 821615397 /nfs/dbraw/zinc/61/53/97/821615397.db2.gz VRICCGBMBBCSQK-KDURUIRLSA-N 1 0 383.536 4.149 20 0 GIADRO CCCC(=O)Nc1ccc(CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000044596911 821617795 /nfs/dbraw/zinc/61/77/95/821617795.db2.gz CITDAWQHTPFKNF-UHFFFAOYSA-N 1 0 393.531 4.341 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(N2CCOC2=O)cc1)c1ccc(Br)cc1 ZINC000181069102 821617927 /nfs/dbraw/zinc/61/79/27/821617927.db2.gz AOVMHEPKQFOMOL-ZDUSSCGKSA-N 1 0 375.266 4.257 20 0 GIADRO C[C@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)[N@H+](C)CCCn1ccnc1 ZINC000181070904 821618270 /nfs/dbraw/zinc/61/82/70/821618270.db2.gz FZOXEKZCEWWQRU-GFCCVEGCSA-N 1 0 380.279 4.323 20 0 GIADRO COc1ccc([C@@H](NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C(C)C)cc1 ZINC000181088400 821626531 /nfs/dbraw/zinc/62/65/31/821626531.db2.gz PKIBAEXKQSEHFQ-QFIPXVFZSA-N 1 0 396.535 4.003 20 0 GIADRO CC(C)n1ncc2cc(C[NH2+]C[C@H]3COC4(CCCCCC4)O3)c(Cl)nc21 ZINC000181100808 821632849 /nfs/dbraw/zinc/63/28/49/821632849.db2.gz WPUCXWZSYXFHEG-KRWDZBQOSA-N 1 0 392.931 4.221 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)c1c(F)cccc1F)c1ccc(OCC(F)(F)F)cc1 ZINC000181104864 821634617 /nfs/dbraw/zinc/63/46/17/821634617.db2.gz OFKMZDHWMCFBGE-BDJLRTHQSA-N 1 0 375.337 4.290 20 0 GIADRO C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@H](O)c1c(Cl)cccc1Cl ZINC000181105786 821635101 /nfs/dbraw/zinc/63/51/01/821635101.db2.gz XOJRCEBOQVOOMN-DYVFJYSZSA-N 1 0 381.303 4.058 20 0 GIADRO Cc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H](O)c1c(Cl)cccc1Cl ZINC000181106216 821635837 /nfs/dbraw/zinc/63/58/37/821635837.db2.gz YRZQXXMKIGHHRR-SUMWQHHRSA-N 1 0 381.303 4.342 20 0 GIADRO CC[C@@H](CSc1ccc(Cl)cc1)[NH2+]C1CCC(S(C)(=O)=O)CC1 ZINC000181115774 821642028 /nfs/dbraw/zinc/64/20/28/821642028.db2.gz QGZAXNZKTHVXLW-UQPPLGOBSA-N 1 0 375.987 4.156 20 0 GIADRO CS(=O)(=O)C1CCC([NH2+][C@@H]2CC3(CCCCC3)Oc3ccccc32)CC1 ZINC000181116364 821642214 /nfs/dbraw/zinc/64/22/14/821642214.db2.gz ONFPLOQVSHWRHA-FAFZWHIHSA-N 1 0 377.550 4.159 20 0 GIADRO C[C@@H]([NH2+]C1CCC(S(C)(=O)=O)CC1)c1ccc(SCC(F)(F)F)cc1 ZINC000181117978 821643348 /nfs/dbraw/zinc/64/33/48/821643348.db2.gz GIDPMSJZQJSWSP-XEBKBJJBSA-N 1 0 395.512 4.347 20 0 GIADRO CCOc1cc(C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)ccc1OC ZINC000181118971 821644315 /nfs/dbraw/zinc/64/43/15/821644315.db2.gz WVIORSCIZHATEI-UHFFFAOYSA-N 1 0 383.414 4.146 20 0 GIADRO COc1ccc2ccccc2c1-c1cc(CN(C)C[C@@H]2CCC[N@H+](C)C2)on1 ZINC000181119360 821645074 /nfs/dbraw/zinc/64/50/74/821645074.db2.gz HAGJFTGOSQCXGV-QGZVFWFLSA-N 1 0 379.504 4.277 20 0 GIADRO Cc1cccc(-c2n[nH]cc2C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)c1 ZINC000181122931 821646858 /nfs/dbraw/zinc/64/68/58/821646858.db2.gz PKLFPZXJERGVDL-UHFFFAOYSA-N 1 0 389.425 4.438 20 0 GIADRO Cc1ccc(-c2n[nH]cc2C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)o1 ZINC000181122872 821647012 /nfs/dbraw/zinc/64/70/12/821647012.db2.gz ZVGLNLSRSCVCDI-UHFFFAOYSA-N 1 0 379.386 4.031 20 0 GIADRO Fc1cc(C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)ccc1OC(F)F ZINC000181124166 821647720 /nfs/dbraw/zinc/64/77/20/821647720.db2.gz PBLWBUNIUSNPKA-UHFFFAOYSA-N 1 0 393.331 4.480 20 0 GIADRO Fc1ccccc1-c1n[nH]cc1C[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000181124953 821648494 /nfs/dbraw/zinc/64/84/94/821648494.db2.gz NPEBUXXQIJZCBX-UHFFFAOYSA-N 1 0 393.388 4.268 20 0 GIADRO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CC(C)(C)C[C@H](C)O ZINC000181136877 821656428 /nfs/dbraw/zinc/65/64/28/821656428.db2.gz UOUHMEIVIGCGEU-NEPJUHHUSA-N 1 0 394.865 4.463 20 0 GIADRO CCOc1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000044803172 821665297 /nfs/dbraw/zinc/66/52/97/821665297.db2.gz RPJLGFVIRFTWIR-ZIAGYGMSSA-N 1 0 378.419 4.365 20 0 GIADRO COc1cccc([C@H](CNC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)[NH+]2CCCC2)c1 ZINC000044836026 821670351 /nfs/dbraw/zinc/67/03/51/821670351.db2.gz MFEDEEMPKNRCHK-AOIWGVFYSA-N 1 0 398.469 4.317 20 0 GIADRO C[C@@H](c1nc2ccccc2o1)[NH+]1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000181158751 821670855 /nfs/dbraw/zinc/67/08/55/821670855.db2.gz AJWJRGKBRVYBJG-INIZCTEOSA-N 1 0 375.472 4.190 20 0 GIADRO C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N(C)c1ccccc1)c1cncc(F)c1 ZINC000181162531 821673008 /nfs/dbraw/zinc/67/30/08/821673008.db2.gz KIQDFCAXDJEZKV-VGSWGCGISA-N 1 0 377.463 4.146 20 0 GIADRO C[C@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000044876452 821675504 /nfs/dbraw/zinc/67/55/04/821675504.db2.gz HGFLSEJGSKXWRC-SFHVURJKSA-N 1 0 384.495 4.141 20 0 GIADRO O=C(CCCc1ccc2ccccc2c1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000181170746 821677205 /nfs/dbraw/zinc/67/72/05/821677205.db2.gz JODNVNIRIUCRCY-UHFFFAOYSA-N 1 0 394.559 4.266 20 0 GIADRO CC[C@@H](C)[C@H](C)C(=O)Nc1ccc(Cl)c(C(=O)NCC[NH+](CC)CC)c1 ZINC000181176736 821679820 /nfs/dbraw/zinc/67/98/20/821679820.db2.gz VNNZZLNANJSJEP-CABCVRRESA-N 1 0 381.948 4.032 20 0 GIADRO C[C@H](OC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1nc(-c2cccnc2)no1 ZINC000044925970 821681709 /nfs/dbraw/zinc/68/17/09/821681709.db2.gz WWAODBCXWOFIGB-INIZCTEOSA-N 1 0 392.459 4.036 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]C[C@@H](OC)c2cccc(Cl)c2)cc1NC(C)=O ZINC000181196643 821691411 /nfs/dbraw/zinc/69/14/11/821691411.db2.gz PIGSQDRTNJBVGQ-ZUOKHONESA-N 1 0 376.884 4.345 20 0 GIADRO O=C(C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1)Nc1nc(-c2ccco2)cs1 ZINC000181216984 821702686 /nfs/dbraw/zinc/70/26/86/821702686.db2.gz URFMZTOMGMLJMK-NVXWUHKLSA-N 1 0 397.500 4.099 20 0 GIADRO O=C(NCCC[NH2+][C@H]1CCCc2nc(-c3ccccc3F)sc21)C1CCC1 ZINC000181230638 821708639 /nfs/dbraw/zinc/70/86/39/821708639.db2.gz UKVTUDUAYUKWJG-KRWDZBQOSA-N 1 0 387.524 4.223 20 0 GIADRO COCc1ccsc1C(=O)Nc1ccc(C[NH+]2CCSCC2)cc1C ZINC000181237023 821712261 /nfs/dbraw/zinc/71/22/61/821712261.db2.gz LQBYHFPGOFQURC-UHFFFAOYSA-N 1 0 376.547 4.004 20 0 GIADRO Cc1cccc(C(C)C)c1NC(=O)C[NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000181268950 821725586 /nfs/dbraw/zinc/72/55/86/821725586.db2.gz NLYJCLROQHHCRB-QGZVFWFLSA-N 1 0 395.503 4.364 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1cccc2ccccc21)c1ccc(N2CCOC2=O)cc1 ZINC000181275701 821729191 /nfs/dbraw/zinc/72/91/91/821729191.db2.gz BPTPLYVDIWQHPB-MRXNPFEDSA-N 1 0 389.455 4.086 20 0 GIADRO COc1cccc([C@@H]2[C@H]([NH2+][C@@H](C)c3cccc(NC(C)=O)c3)CCN2C2CC2)c1 ZINC000181282448 821733697 /nfs/dbraw/zinc/73/36/97/821733697.db2.gz AUWDWVYNEYUIAI-NAKSJZFLSA-N 1 0 393.531 4.282 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1)C(=O)NCCc1cccs1 ZINC000181294459 821739832 /nfs/dbraw/zinc/73/98/32/821739832.db2.gz ATQDHSDMEQLXIN-DLBZAZTESA-N 1 0 379.529 4.208 20 0 GIADRO COc1cccc(CNC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(-c3cccnc3)cc2)c1 ZINC000181295446 821740574 /nfs/dbraw/zinc/74/05/74/821740574.db2.gz UJIIHRRMUZCXHO-ROUUACIJSA-N 1 0 389.499 4.113 20 0 GIADRO CCOc1ccc(OC[C@H](O)C[NH2+][C@H](C)c2ccc(-c3cccnc3)cc2)cc1 ZINC000181299973 821743306 /nfs/dbraw/zinc/74/33/06/821743306.db2.gz IKTKVFGYQBIUFW-XMSQKQJNSA-N 1 0 392.499 4.238 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)c(OC)c1 ZINC000181304031 821744717 /nfs/dbraw/zinc/74/47/17/821744717.db2.gz FRJMDCUEIUHEMX-RYUDHWBXSA-N 1 0 385.430 4.491 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)c(OC)c1 ZINC000181304066 821744749 /nfs/dbraw/zinc/74/47/49/821744749.db2.gz FRJMDCUEIUHEMX-NEPJUHHUSA-N 1 0 385.430 4.491 20 0 GIADRO CC(C)c1ccccc1NC(=O)C[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000181305650 821745981 /nfs/dbraw/zinc/74/59/81/821745981.db2.gz WMTRTMXMGHIORJ-INIZCTEOSA-N 1 0 381.476 4.056 20 0 GIADRO Cc1cc2ncc([C@H](C)[NH2+][C@@H](C)c3c(C)nn(CC(F)(F)F)c3C)c(C)n2n1 ZINC000181307016 821747168 /nfs/dbraw/zinc/74/71/68/821747168.db2.gz FNHOEJIMUISUPG-RYUDHWBXSA-N 1 0 394.445 4.134 20 0 GIADRO CCn1c(C[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)nc2cc(F)ccc21 ZINC000181309827 821748365 /nfs/dbraw/zinc/74/83/65/821748365.db2.gz HEHKRHNOOGTPAX-AWEZNQCLSA-N 1 0 382.439 4.003 20 0 GIADRO COc1cc(NC(=O)C[NH2+][C@H](C)c2ccc(-c3cccnc3)cc2)cc(OC)c1 ZINC000181317124 821755466 /nfs/dbraw/zinc/75/54/66/821755466.db2.gz SHOILTMKCUKZEP-MRXNPFEDSA-N 1 0 391.471 4.055 20 0 GIADRO COc1ccc([C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C(F)(F)F)cc1 ZINC000181330253 821763134 /nfs/dbraw/zinc/76/31/34/821763134.db2.gz UZXZFIFYDRNAEH-CRAIPNDOSA-N 1 0 384.442 4.069 20 0 GIADRO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCc1c[nH]c2cccc(OC)c12 ZINC000181335447 821767111 /nfs/dbraw/zinc/76/71/11/821767111.db2.gz CKJMJTTXVALGTF-MRXNPFEDSA-N 1 0 379.504 4.288 20 0 GIADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N(Cc1ccco1)Cc1ccco1 ZINC000181339890 821771101 /nfs/dbraw/zinc/77/11/01/821771101.db2.gz KFKZQFXPYCSJAU-GOSISDBHSA-N 1 0 381.476 4.105 20 0 GIADRO Cc1cccc(C)c1NC(=O)CCC[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000181345723 821775464 /nfs/dbraw/zinc/77/54/64/821775464.db2.gz TWOVHDFDNMOYTF-IBGZPJMESA-N 1 0 393.531 4.500 20 0 GIADRO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000181361514 821787943 /nfs/dbraw/zinc/78/79/43/821787943.db2.gz GHXJKXCVICIIGL-GBESFXJTSA-N 1 0 393.531 4.038 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(SC(=O)N(C)C)c1)c1ccc(N2CCCC2=O)cc1 ZINC000181377635 821795160 /nfs/dbraw/zinc/79/51/60/821795160.db2.gz HTHLFAWYFUCTKS-MRXNPFEDSA-N 1 0 397.544 4.438 20 0 GIADRO CCC[C@@H]([NH2+]Cc1cccc(C)c1O)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000181382508 821797621 /nfs/dbraw/zinc/79/76/21/821797621.db2.gz SFVGYYBPLGGZJJ-OAQYLSRUSA-N 1 0 381.520 4.198 20 0 GIADRO O=C(Nc1ccc(F)cc1OCC(F)F)NC1CC[NH+](C2CCCCC2)CC1 ZINC000181385936 821799305 /nfs/dbraw/zinc/79/93/05/821799305.db2.gz NYFJAOFIUSZUBB-UHFFFAOYSA-N 1 0 399.457 4.388 20 0 GIADRO CC[C@@H]([NH2+][C@@H](CO)c1cccc(Br)c1)c1ccc2c(c1)CCO2 ZINC000181392099 821802510 /nfs/dbraw/zinc/80/25/10/821802510.db2.gz CMRCATIAEVOBLB-MSOLQXFVSA-N 1 0 376.294 4.158 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+]Cc2ccc(Br)s2)s1 ZINC000181393230 821803201 /nfs/dbraw/zinc/80/32/01/821803201.db2.gz YSNSPBMAUFRMCH-SECBINFHSA-N 1 0 375.357 4.315 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)s1 ZINC000181393420 821803806 /nfs/dbraw/zinc/80/38/06/821803806.db2.gz XJVVFWBRVKSYMA-GJZGRUSLSA-N 1 0 387.549 4.179 20 0 GIADRO C[C@H]([NH2+][C@@H](CO)c1cccc(Br)c1)c1cnc2ccsc2c1 ZINC000181393796 821804377 /nfs/dbraw/zinc/80/43/77/821804377.db2.gz GVHVPCXEPNLZPH-ZBEGNZNMSA-N 1 0 377.307 4.443 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+]CCOc2cccc(C(F)(F)F)c2)s1 ZINC000181397336 821806235 /nfs/dbraw/zinc/80/62/35/821806235.db2.gz QPZYGOQXUHIWDH-LBPRGKRZSA-N 1 0 388.455 4.389 20 0 GIADRO CCc1cccc(CC)c1NC(=O)C[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181399098 821806405 /nfs/dbraw/zinc/80/64/05/821806405.db2.gz HSTHMMZCWUBFQJ-QGZVFWFLSA-N 1 0 393.531 4.228 20 0 GIADRO Cc1ccn(-c2ccccc2CN[C@@H](C)c2ncc(Br)s2)n1 ZINC000181402354 821808152 /nfs/dbraw/zinc/80/81/52/821808152.db2.gz KORJQSBXWHMOIX-LBPRGKRZSA-N 1 0 377.311 4.251 20 0 GIADRO Cc1nc(C)c([C@H](C)[NH2+]C[C@@H](CO)Cc2ccc(OC(F)(F)F)cc2)s1 ZINC000181407444 821809629 /nfs/dbraw/zinc/80/96/29/821809629.db2.gz KCWASDBZVCAFFR-NHYWBVRUSA-N 1 0 388.455 4.160 20 0 GIADRO COc1cccc2cc([C@@H](C)[NH2+]Cc3ccccc3CN3CCOCC3)oc21 ZINC000181416093 821814256 /nfs/dbraw/zinc/81/42/56/821814256.db2.gz CJOQLGPRBNSPDD-QGZVFWFLSA-N 1 0 380.488 4.124 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)s1 ZINC000181417505 821815763 /nfs/dbraw/zinc/81/57/63/821815763.db2.gz CRJXYKJZCVLIBU-ZUZCIYMTSA-N 1 0 389.348 4.331 20 0 GIADRO Nc1nc(C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2ccccc2)nc2ccccc12 ZINC000181421398 821817626 /nfs/dbraw/zinc/81/76/26/821817626.db2.gz VESWJLMPMDRIFV-RXVVDRJESA-N 1 0 376.504 4.080 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+]C[C@@H](O)c2cc(Cl)cc(Cl)c2)s1 ZINC000181422274 821818338 /nfs/dbraw/zinc/81/83/38/821818338.db2.gz GZJFHMHWNGJDIC-MEBBXXQBSA-N 1 0 389.348 4.331 20 0 GIADRO CSc1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)c1 ZINC000181423383 821819156 /nfs/dbraw/zinc/81/91/56/821819156.db2.gz ODRWYVBIRRUAAB-HOTGVXAUSA-N 1 0 397.544 4.213 20 0 GIADRO C[C@@H](NC(=O)CCC(=O)c1ccc(Cl)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181429373 821822288 /nfs/dbraw/zinc/82/22/88/821822288.db2.gz JNFFREBOEMPRFU-WBVHZDCISA-N 1 0 376.928 4.072 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)s1 ZINC000181432389 821824258 /nfs/dbraw/zinc/82/42/58/821824258.db2.gz CBWOIGBVOGTUEO-FVQBIDKESA-N 1 0 397.585 4.127 20 0 GIADRO O=C(CCCc1ccc2ccccc2c1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000181435750 821826323 /nfs/dbraw/zinc/82/63/23/821826323.db2.gz QZVQQSSHWTYSFK-DNQXCXABSA-N 1 0 394.559 4.047 20 0 GIADRO Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181442348 821828297 /nfs/dbraw/zinc/82/82/97/821828297.db2.gz MAXOJTZGXFSDBB-HZPDHXFCSA-N 1 0 399.922 4.453 20 0 GIADRO Cc1nc(Cc2ccccc2)sc1C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181453171 821832393 /nfs/dbraw/zinc/83/23/93/821832393.db2.gz MCAZRFDIBDTSDO-QFBILLFUSA-N 1 0 397.588 4.425 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(Br)cc1N1CCOCC1)c1ccsc1 ZINC000181459655 821835708 /nfs/dbraw/zinc/83/57/08/821835708.db2.gz UHLLFLYFGZNNNV-CYBMUJFWSA-N 1 0 381.339 4.198 20 0 GIADRO CCOc1ccc(-c2nc(C[N@H+](C)CCc3ccncc3)cs2)cc1OC ZINC000181460203 821836342 /nfs/dbraw/zinc/83/63/42/821836342.db2.gz AXYYGNHCAZNXNM-UHFFFAOYSA-N 1 0 383.517 4.287 20 0 GIADRO C[C@H](NC(=O)CCc1ccc(OC(F)(F)F)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181461272 821836913 /nfs/dbraw/zinc/83/69/13/821836913.db2.gz WWSJKFIMKKBHFA-RDJZCZTQSA-N 1 0 398.469 4.287 20 0 GIADRO CC[C@@H]([NH2+]C1CCN(C(=O)C(C)C)CC1)c1cc(F)cc(Br)c1 ZINC000181466815 821839480 /nfs/dbraw/zinc/83/94/80/821839480.db2.gz LSEZLPRWHHCONX-QGZVFWFLSA-N 1 0 385.321 4.276 20 0 GIADRO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]Cc1ccn(C2CCCC2)n1 ZINC000181476953 821843567 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385.464 4.333 20 0 GIADRO CC(C)[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1ccc(C(F)(F)F)cc1 ZINC000181511200 821860982 /nfs/dbraw/zinc/86/09/82/821860982.db2.gz RTIHUFOTGZWSKG-UONOGXRCSA-N 1 0 382.348 4.155 20 0 GIADRO C[C@H](NC(=O)CCc1ccccc1OC(F)(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181512019 821861444 /nfs/dbraw/zinc/86/14/44/821861444.db2.gz POLUVACMRCPVPD-RDJZCZTQSA-N 1 0 398.469 4.287 20 0 GIADRO C[C@H](NC(=O)CCc1ccccc1OC(F)(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181511992 821861540 /nfs/dbraw/zinc/86/15/40/821861540.db2.gz POLUVACMRCPVPD-DOTOQJQBSA-N 1 0 398.469 4.287 20 0 GIADRO CO[C@@H](C)c1nc(C[NH2+][C@@H](CNC(=O)OC(C)(C)C)C2CCCCC2)cs1 ZINC000181514502 821862417 /nfs/dbraw/zinc/86/24/17/821862417.db2.gz GRJGSDIDYFPGMY-YOEHRIQHSA-N 1 0 397.585 4.414 20 0 GIADRO C[C@@H](NC(=O)CCc1ncc(-c2ccccc2)o1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181518760 821863991 /nfs/dbraw/zinc/86/39/91/821863991.db2.gz BERAWTSMSBJNPP-MJGOQNOKSA-N 1 0 381.520 4.043 20 0 GIADRO COc1cccc2cc([C@@H](C)[NH2+]Cc3cccc(CN4CCOCC4)c3)oc21 ZINC000181530754 821868492 /nfs/dbraw/zinc/86/84/92/821868492.db2.gz LYSUYVIKYYWXDQ-QGZVFWFLSA-N 1 0 380.488 4.124 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+][C@H](C)Cc2cc(C)nn2-c2ccccc2)s1 ZINC000181531765 821869723 /nfs/dbraw/zinc/86/97/23/821869723.db2.gz GJYMOYUGOYOASW-NVXWUHKLSA-N 1 0 398.576 4.416 20 0 GIADRO CC(C)n1cc(Br)cc1C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181538656 821872998 /nfs/dbraw/zinc/87/29/98/821872998.db2.gz JXUBWYWHZYMFKY-LSDHHAIUSA-N 1 0 396.373 4.214 20 0 GIADRO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCOc1ncccc1C(F)(F)F ZINC000181539061 821873210 /nfs/dbraw/zinc/87/32/10/821873210.db2.gz VPSOSWMCGPVCCO-CQSZACIVSA-N 1 0 395.425 4.049 20 0 GIADRO CC[C@@H]([NH2+]C[C@H](O)c1ccccc1Br)c1cccc([N+](=O)[O-])c1 ZINC000181549336 821876786 /nfs/dbraw/zinc/87/67/86/821876786.db2.gz AJCCOAZJAXWJNQ-SJORKVTESA-N 1 0 379.254 4.132 20 0 GIADRO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@H](C)[C@H](O)Cc1ccccc1 ZINC000181550472 821877386 /nfs/dbraw/zinc/87/73/86/821877386.db2.gz RLRZTSNQOKNNOV-SPYBWZPUSA-N 1 0 394.437 4.004 20 0 GIADRO COc1ccccc1COC1CC[NH+](Cc2c[nH]nc2-c2ccc(C)o2)CC1 ZINC000181551231 821877827 /nfs/dbraw/zinc/87/78/27/821877827.db2.gz XQBIGHNXUPGINA-UHFFFAOYSA-N 1 0 381.476 4.168 20 0 GIADRO C[C@H](C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(Br)s1 ZINC000181555605 821879614 /nfs/dbraw/zinc/87/96/14/821879614.db2.gz UYRIXUZHVRKTPG-BFHYXJOUSA-N 1 0 399.398 4.383 20 0 GIADRO FC(F)(F)Oc1ccc2c(c1)[C@@H]([NH2+]CCc1nnc(-c3ccccc3)o1)CC2 ZINC000181559579 821881158 /nfs/dbraw/zinc/88/11/58/821881158.db2.gz LWSICTGRFAFZBD-KRWDZBQOSA-N 1 0 389.377 4.455 20 0 GIADRO C[C@@H]([NH2+]CCCS(=O)(=O)c1ccccc1)c1ccc(OCC2CC2)c(F)c1 ZINC000181576769 821886351 /nfs/dbraw/zinc/88/63/51/821886351.db2.gz ZOEHGVPJSKHIIN-MRXNPFEDSA-N 1 0 391.508 4.129 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]Cc2cn(C)nc2C(F)(F)F)cc1Br ZINC000181579381 821887241 /nfs/dbraw/zinc/88/72/41/821887241.db2.gz OCVQLPRWGJAUOU-SECBINFHSA-N 1 0 392.219 4.061 20 0 GIADRO C[N@@H+]1CCCN(C(=O)Nc2ccc(Oc3ccc(F)cc3)c3ccncc23)CC1 ZINC000181585229 821890337 /nfs/dbraw/zinc/89/03/37/821890337.db2.gz GSMVOSMMQQFNQX-UHFFFAOYSA-N 1 0 394.450 4.336 20 0 GIADRO C[C@@H]([NH2+]C1CCN([C@H](C)c2ccncc2)CC1)c1ccc2c(c1)OCCCO2 ZINC000181586920 821891409 /nfs/dbraw/zinc/89/14/09/821891409.db2.gz IPKPWQWHCKDMHP-QZTJIDSGSA-N 1 0 381.520 4.119 20 0 GIADRO CC1(C)[C@H]([NH2+]C[C@@H]2CCN(c3ccc(Br)cc3)C2)[C@@H]2CCCO[C@@H]21 ZINC000181587383 821891904 /nfs/dbraw/zinc/89/19/04/821891904.db2.gz XGRHGAYGKOLPBV-FZDIXFNVSA-N 1 0 393.369 4.069 20 0 GIADRO COCCCOc1cccc(C[NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)c1 ZINC000181602634 821898321 /nfs/dbraw/zinc/89/83/21/821898321.db2.gz WKVGJUQRDGPUJU-KRWDZBQOSA-N 1 0 397.519 4.237 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(COC2CCOCC2)cc1)c1ccc2c(c1)OCCO2 ZINC000181611149 821902230 /nfs/dbraw/zinc/90/22/30/821902230.db2.gz UKBNZSAVQMOTJM-KRWDZBQOSA-N 1 0 383.488 4.004 20 0 GIADRO COCc1ccsc1C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000181635491 821915851 /nfs/dbraw/zinc/91/58/51/821915851.db2.gz BULVXPDDFWRANM-UHFFFAOYSA-N 1 0 392.952 4.190 20 0 GIADRO CCOc1cccc2cc([C@H](C)[NH2+]Cc3cccc(CS(C)(=O)=O)c3)oc21 ZINC000181639597 821917812 /nfs/dbraw/zinc/91/78/12/821917812.db2.gz QWEJEBADAVXMDZ-HNNXBMFYSA-N 1 0 387.501 4.227 20 0 GIADRO C[C@@H](NC(=O)CSc1nc2ccccc2s1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181639891 821918306 /nfs/dbraw/zinc/91/83/06/821918306.db2.gz YBWIOFFTIQCUFF-HUUCEWRRSA-N 1 0 389.590 4.158 20 0 GIADRO CC(C)[C@@H]([NH2+]CC(=O)N1CCC[C@@H](C(F)(F)F)C1)c1ccc(F)cc1F ZINC000181650192 821922911 /nfs/dbraw/zinc/92/29/11/821922911.db2.gz HAVFVUVWWYPNLQ-SJKOYZFVSA-N 1 0 378.385 4.052 20 0 GIADRO COc1ccc(Cl)cc1N1CC[C@@H]([NH2+][C@@H](C)c2ccc(OCC#N)cc2)C1 ZINC000181658178 821926805 /nfs/dbraw/zinc/92/68/05/821926805.db2.gz NDZIPPFWUNJQIF-MAUKXSAKSA-N 1 0 385.895 4.180 20 0 GIADRO C[C@H](NC(=O)Cc1csc(Cc2ccccc2)n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181669478 821934637 /nfs/dbraw/zinc/93/46/37/821934637.db2.gz SXIIHACIDVOGQE-PKOBYXMFSA-N 1 0 397.588 4.046 20 0 GIADRO CC[C@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181670480 821935441 /nfs/dbraw/zinc/93/54/41/821935441.db2.gz IWVNXVXUDGWNHY-FCEWJHQRSA-N 1 0 378.944 4.267 20 0 GIADRO C[C@@H](NC(=O)c1cnc(-c2ccccc2F)s1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181670048 821935493 /nfs/dbraw/zinc/93/54/93/821935493.db2.gz YLAWHFRWRPRQMJ-CABCVRRESA-N 1 0 387.524 4.332 20 0 GIADRO C[C@H](NCc1nnc(C2CCC2)n1C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000181682102 821942060 /nfs/dbraw/zinc/94/20/60/821942060.db2.gz MCNRZCSEZQFFNP-INIZCTEOSA-N 1 0 389.503 4.186 20 0 GIADRO COC(=O)c1ccc(C[NH2+][C@@H]2CCSc3ccc(Cl)cc32)cc1OC ZINC000181687645 821944966 /nfs/dbraw/zinc/94/49/66/821944966.db2.gz VSAHXYKKUGMLSQ-MRXNPFEDSA-N 1 0 377.893 4.462 20 0 GIADRO C[C@H]1CO[C@@H](c2ccccc2Cl)CN1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000181698527 821948577 /nfs/dbraw/zinc/94/85/77/821948577.db2.gz DMHFFMGAJONNGC-OXJNMPFZSA-N 1 0 392.971 4.387 20 0 GIADRO CC(C)(C)C(=O)N1CCC(C[NH+]2CCC(CN3CCc4ccccc43)CC2)CC1 ZINC000181698132 821948594 /nfs/dbraw/zinc/94/85/94/821948594.db2.gz JCAZHMGLCNKAQU-UHFFFAOYSA-N 1 0 397.607 4.046 20 0 GIADRO CC(=O)N1CCC(C[NH2+][C@@H](C)c2cc3cc(Br)ccc3o2)CC1 ZINC000181711596 821955069 /nfs/dbraw/zinc/95/50/69/821955069.db2.gz WOSHKLGOBMZFLZ-LBPRGKRZSA-N 1 0 379.298 4.104 20 0 GIADRO COc1cc(OC)c([C@@H](C)[NH2+][C@H](C)c2ccc(-n3ccnn3)cc2)cc1Cl ZINC000181744875 821973056 /nfs/dbraw/zinc/97/30/56/821973056.db2.gz GGKSNJRROFCPJE-ZIAGYGMSSA-N 1 0 386.883 4.350 20 0 GIADRO CCOc1ccc(Cl)cc1CC[NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000181756065 821978499 /nfs/dbraw/zinc/97/84/99/821978499.db2.gz PJVSCUKUSJGMEC-UWJYYQICSA-N 1 0 387.955 4.176 20 0 GIADRO C[C@H]([NH2+]CC(=O)N(C)Cc1ccc(OC(F)F)cc1)c1cc2ccccc2o1 ZINC000181765028 821982442 /nfs/dbraw/zinc/98/24/42/821982442.db2.gz GSHIBEBQESROTN-AWEZNQCLSA-N 1 0 388.414 4.343 20 0 GIADRO Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 ZINC000181800635 821998111 /nfs/dbraw/zinc/99/81/11/821998111.db2.gz CCWBBUNXQQAOPQ-FUHWJXTLSA-N 1 0 388.458 4.296 20 0 GIADRO Cc1cc(C)c2c(c1)[C@@H]([NH2+]C[C@H]1CC(=O)N(Cc3ccccc3)C1)CCCO2 ZINC000181813576 822003685 /nfs/dbraw/zinc/00/36/85/822003685.db2.gz KWOPCMSMVLNNFK-IRLDBZIGSA-N 1 0 378.516 4.155 20 0 GIADRO C[C@@H]([NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1OC(F)(F)F ZINC000181819700 822005793 /nfs/dbraw/zinc/00/57/93/822005793.db2.gz ZVYVDUNWQWGSJH-NVXWUHKLSA-N 1 0 392.421 4.285 20 0 GIADRO C[C@H](C[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1)c1nc(-c2ccccc2)no1 ZINC000181846801 822015786 /nfs/dbraw/zinc/01/57/86/822015786.db2.gz WAEOFZMBGARLQV-SJORKVTESA-N 1 0 390.487 4.318 20 0 GIADRO C[C@H](C[NH2+][C@@H](C)c1ccc2c(c1)OCCCO2)c1nc(-c2ccccc2)no1 ZINC000181846876 822015808 /nfs/dbraw/zinc/01/58/08/822015808.db2.gz DWZCZWWYYTVIKZ-CVEARBPZSA-N 1 0 379.460 4.352 20 0 GIADRO Cc1nc(C)c([C@H](C)[N@H+](C)C[C@H](O)COc2ccccc2C(F)(F)F)s1 ZINC000181860477 822019365 /nfs/dbraw/zinc/01/93/65/822019365.db2.gz GLMPESZGFOAHID-JSGCOSHPSA-N 1 0 388.455 4.211 20 0 GIADRO COc1cccc2cc([C@H](C)[NH2+]C3CCN(c4cc(C)nc(C)n4)CC3)oc21 ZINC000181863150 822019615 /nfs/dbraw/zinc/01/96/15/822019615.db2.gz KNZOABVMKRAQBR-HNNXBMFYSA-N 1 0 380.492 4.168 20 0 GIADRO Cc1ccc(S(=O)(=O)CCC[NH2+][C@H](C)c2cccc(N3CCCC3)c2)cc1 ZINC000181863241 822019804 /nfs/dbraw/zinc/01/98/04/822019804.db2.gz BRXROFBKTTUNGM-LJQANCHMSA-N 1 0 386.561 4.110 20 0 GIADRO C[C@@H]([NH2+]C[C@H](O)COCc1ccc(Cl)cc1)c1cccc(N2CCCC2)c1 ZINC000181864537 822020602 /nfs/dbraw/zinc/02/06/02/822020602.db2.gz KMBSSGFUBLPFRN-VGSWGCGISA-N 1 0 388.939 4.169 20 0 GIADRO Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)NCC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000181877570 822023963 /nfs/dbraw/zinc/02/39/63/822023963.db2.gz AYLVTLZWLSTEKK-HJNYFJLDSA-N 1 0 387.568 4.026 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)COCc1ccccc1Cl)c1cccc(N2CCCC2)c1 ZINC000181884066 822026275 /nfs/dbraw/zinc/02/62/75/822026275.db2.gz SXUFFONLRSPOBU-UWJYYQICSA-N 1 0 388.939 4.169 20 0 GIADRO C[C@@H]([NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1)c1cccc(OC(F)(F)F)c1 ZINC000181897704 822030316 /nfs/dbraw/zinc/03/03/16/822030316.db2.gz XOOHGLAZCUUUJU-LLVKDONJSA-N 1 0 397.784 4.097 20 0 GIADRO Cc1ccc(C[C@H](C)C(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)cc1 ZINC000181899471 822030516 /nfs/dbraw/zinc/03/05/16/822030516.db2.gz CELXEYSBJRYLSR-LEWJYISDSA-N 1 0 394.559 4.190 20 0 GIADRO COc1cccc2cc([C@@H](C)[NH2+]C[C@@H](c3ccc(OC)c(OC)c3)N(C)C)oc21 ZINC000181918810 822036572 /nfs/dbraw/zinc/03/65/72/822036572.db2.gz QSKTZQWFXSNEMB-QAPCUYQASA-N 1 0 398.503 4.412 20 0 GIADRO CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H]1CCCOCC1 ZINC000181920561 822037065 /nfs/dbraw/zinc/03/70/65/822037065.db2.gz AENKNLJDXDETIT-KRWDZBQOSA-N 1 0 392.341 4.417 20 0 GIADRO O=C(Nc1ccnc(Cl)c1)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000181923689 822037236 /nfs/dbraw/zinc/03/72/36/822037236.db2.gz IVDTWOHHKJFOCY-HKUYNNGSSA-N 1 0 384.911 4.253 20 0 GIADRO COc1cc(C[NH2+][C@H](C)c2ccc(NC(C)=O)cc2)ccc1OCC(F)(F)F ZINC000181937713 822040204 /nfs/dbraw/zinc/04/02/04/822040204.db2.gz VMRLWTFUFFNTPO-CYBMUJFWSA-N 1 0 396.409 4.446 20 0 GIADRO CC(C)[C@@H]([NH2+]Cc1cccnc1N1CCOCC1)c1ccc(Cl)cc1F ZINC000181938380 822040794 /nfs/dbraw/zinc/04/07/94/822040794.db2.gz BOZIECBCIDWPTQ-LJQANCHMSA-N 1 0 377.891 4.198 20 0 GIADRO O=C(c1ccc(C(F)(F)F)cc1Cl)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000181951965 822043462 /nfs/dbraw/zinc/04/34/62/822043462.db2.gz OPXDZGYWKRVGNE-YVEFUNNKSA-N 1 0 386.845 4.448 20 0 GIADRO COc1ccc(OC)c([C@H](C)[NH2+][C@@H](C)C(=O)N2CCC[C@@H]2c2cccs2)c1 ZINC000181953567 822044485 /nfs/dbraw/zinc/04/44/85/822044485.db2.gz KMWOAEOEPKYVML-RLFYNMQTSA-N 1 0 388.533 4.168 20 0 GIADRO CC(C)[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(Cl)cc1F ZINC000181985493 822053574 /nfs/dbraw/zinc/05/35/74/822053574.db2.gz JFHRURZAIYFJJF-LJQANCHMSA-N 1 0 398.931 4.216 20 0 GIADRO CC(=O)Nc1ccc([C@H](C)[NH2+]CCc2cc(Br)ccc2F)cc1 ZINC000182002821 822058998 /nfs/dbraw/zinc/05/89/98/822058998.db2.gz ISIYYEZRNKWTIS-LBPRGKRZSA-N 1 0 379.273 4.440 20 0 GIADRO Cc1nc(C[NH2+][C@H](CC(N)=O)C2CCCCC2)oc1-c1ccc(Cl)cc1 ZINC000182006161 822060294 /nfs/dbraw/zinc/06/02/94/822060294.db2.gz NBXKMHSAUJIJIY-QGZVFWFLSA-N 1 0 375.900 4.217 20 0 GIADRO C[C@H]([NH2+]CC(=O)N(C)c1nccs1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000182018856 822064651 /nfs/dbraw/zinc/06/46/51/822064651.db2.gz VKPPZZYNBMMIDV-HNNXBMFYSA-N 1 0 399.491 4.175 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2c3ccccc3oc2C(C)=O)cc1F ZINC000182028887 822067526 /nfs/dbraw/zinc/06/75/26/822067526.db2.gz RQXRXLLYBANOHW-QWHCGFSZSA-N 1 0 398.434 4.461 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)c(Br)c1 ZINC000182037285 822069975 /nfs/dbraw/zinc/06/99/75/822069975.db2.gz LZXQRECILCCMGQ-PBFPGSCMSA-N 1 0 386.355 4.163 20 0 GIADRO Cc1nn(C)c(C)c1CCC[NH2+]Cc1csc(COc2ccc(C)cc2)n1 ZINC000182046596 822072307 /nfs/dbraw/zinc/07/23/07/822072307.db2.gz IWXDXHJBDSXQFR-UHFFFAOYSA-N 1 0 384.549 4.103 20 0 GIADRO COc1ccc([C@@H]([NH2+]CC(=O)N(C)c2nc3ccccc3s2)C(C)C)cc1 ZINC000182048501 822073359 /nfs/dbraw/zinc/07/33/59/822073359.db2.gz KJVXQHIDTMLWTE-FQEVSTJZSA-N 1 0 383.517 4.255 20 0 GIADRO CC[C@H](CC(=O)Nc1ccccc1C[NH+]1CCC(O)CC1)c1ccc(C)cc1 ZINC000182057905 822076800 /nfs/dbraw/zinc/07/68/00/822076800.db2.gz AIRQONLAPZWODH-LJQANCHMSA-N 1 0 380.532 4.474 20 0 GIADRO CCOc1ccc(C(=O)N2CCC([NH2+]C[C@@H](C)Cc3ccccc3)CC2)cc1 ZINC000182057361 822076819 /nfs/dbraw/zinc/07/68/19/822076819.db2.gz OHASQHXASPMDLL-IBGZPJMESA-N 1 0 380.532 4.158 20 0 GIADRO CCc1ccc([C@H](C)CC(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000182060462 822077771 /nfs/dbraw/zinc/07/77/71/822077771.db2.gz JMKBPVSFHYNWBQ-GOSISDBHSA-N 1 0 380.532 4.338 20 0 GIADRO C/C(=C\C(=O)Nc1ccccc1C[NH+]1CCC(O)CC1)c1ccccc1Cl ZINC000182061941 822078091 /nfs/dbraw/zinc/07/80/91/822078091.db2.gz ZTPBYDOPVGRQEO-JQIJEIRASA-N 1 0 384.907 4.339 20 0 GIADRO CCCCCOc1ccc(C(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000182063128 822078536 /nfs/dbraw/zinc/07/85/36/822078536.db2.gz MAYUBQVOORXYIB-UHFFFAOYSA-N 1 0 396.531 4.465 20 0 GIADRO CC(C)c1ccccc1OCCC(=O)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC000182069840 822081094 /nfs/dbraw/zinc/08/10/94/822081094.db2.gz RRYJDOSHBWTGLE-UHFFFAOYSA-N 1 0 396.531 4.174 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)CC1)C1CC1 ZINC000182071047 822081483 /nfs/dbraw/zinc/08/14/83/822081483.db2.gz MBJRYJXNGGFRMH-UHFFFAOYSA-N 1 0 392.421 4.456 20 0 GIADRO O=C(Nc1ccc(Br)c(Cl)c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000182084046 822086709 /nfs/dbraw/zinc/08/67/09/822086709.db2.gz SVBJUXIWCHBKCS-GFCCVEGCSA-N 1 0 386.721 4.052 20 0 GIADRO CCc1c2ccccc2oc1[C@H](C)[NH2+][C@@H](C)Cn1ncc2ccccc2c1=O ZINC000182092572 822090897 /nfs/dbraw/zinc/09/08/97/822090897.db2.gz FWSKFFBDJPGZAB-HOTGVXAUSA-N 1 0 375.472 4.444 20 0 GIADRO Cc1nc(CCC(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)oc1-c1ccccc1 ZINC000182099935 822093487 /nfs/dbraw/zinc/09/34/87/822093487.db2.gz FDFGHNNTIMSHAJ-GOSISDBHSA-N 1 0 391.515 4.219 20 0 GIADRO C[S@](=O)C[C@@H]([NH2+]Cc1ccc(-n2cnc3ccccc32)cc1)c1ccccc1 ZINC000182100577 822093881 /nfs/dbraw/zinc/09/38/81/822093881.db2.gz OEFIXJXWPWBCBZ-DFHRPNOPSA-N 1 0 389.524 4.235 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[NH2+][C@H](C)c2ccc(SC(C)C)cc2)c1 ZINC000182101399 822094370 /nfs/dbraw/zinc/09/43/70/822094370.db2.gz BKNHGKMDFINXDA-OAHLLOKOSA-N 1 0 388.533 4.494 20 0 GIADRO CC(C)Sc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2sccc2C(N)=O)cc1 ZINC000182105360 822095976 /nfs/dbraw/zinc/09/59/76/822095976.db2.gz QCLYEHGATRDKGZ-QWHCGFSZSA-N 1 0 391.562 4.025 20 0 GIADRO CCSc1ccc([C@@H](C)[NH2+]CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)cc1 ZINC000182112942 822099123 /nfs/dbraw/zinc/09/91/23/822099123.db2.gz SBVNJTKHRIANSK-MOPGFXCFSA-N 1 0 397.588 4.092 20 0 GIADRO CCc1nn(C)c(OC)c1C[NH2+]C1CCC(O)(c2ccc(C(C)C)cc2)CC1 ZINC000182126383 822105407 /nfs/dbraw/zinc/10/54/07/822105407.db2.gz QGHPUNRFEFTQHJ-UHFFFAOYSA-N 1 0 385.552 4.035 20 0 GIADRO C[C@@H](Nc1ccc(OC[C@H]2CCCO2)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000182140269 822113366 /nfs/dbraw/zinc/11/33/66/822113366.db2.gz WRIXSVOCIIJXKN-WZONZLPQSA-N 1 0 384.520 4.358 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1)c1cccc(N2CCOC2=O)c1 ZINC000182142451 822115012 /nfs/dbraw/zinc/11/50/12/822115012.db2.gz FDNXNSMJPPHGGD-MRXNPFEDSA-N 1 0 396.487 4.449 20 0 GIADRO CC[NH+](CC)Cc1cc([C@H](C)Nc2cnn(Cc3ccccn3)c2)ccc1OC ZINC000182146114 822117108 /nfs/dbraw/zinc/11/71/08/822117108.db2.gz PNBAENSXMSXWGH-SFHVURJKSA-N 1 0 393.535 4.350 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+][C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)s1 ZINC000182154340 822120302 /nfs/dbraw/zinc/12/03/02/822120302.db2.gz XYIRGOHQQKMART-LIXBPZJASA-N 1 0 382.476 4.099 20 0 GIADRO Cc1cccc(C)c1CC(=O)Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000182157048 822122606 /nfs/dbraw/zinc/12/26/06/822122606.db2.gz UNRUQHYOVUGOOK-NRFANRHFSA-N 1 0 388.515 4.128 20 0 GIADRO CCCc1c(NC(=O)c2ccc(C[NH+](C)C)cc2)cnn1-c1cccc(F)c1 ZINC000182170757 822129692 /nfs/dbraw/zinc/12/96/92/822129692.db2.gz IGKAFCWMOJFNAO-UHFFFAOYSA-N 1 0 380.467 4.278 20 0 GIADRO C[C@H](CN(C)Cc1ccccc1)[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000182172736 822130905 /nfs/dbraw/zinc/13/09/05/822130905.db2.gz GWQWVELIEXWHOL-MSOLQXFVSA-N 1 0 380.536 4.142 20 0 GIADRO C[C@H](CN(C)Cc1ccccc1)[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000182173534 822131491 /nfs/dbraw/zinc/13/14/91/822131491.db2.gz BMBQBZKKWAFUDE-UXHICEINSA-N 1 0 392.547 4.170 20 0 GIADRO CCOC(=O)C1CCC([NH2+]CC2(c3ccccc3Cl)CCOCC2)CC1 ZINC000182185602 822137412 /nfs/dbraw/zinc/13/74/12/822137412.db2.gz WKFZYAXJVIYCOD-UHFFFAOYSA-N 1 0 379.928 4.100 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[NH2+]C(C)(c2ccccc2)c2ccccc2)c1 ZINC000182190929 822140099 /nfs/dbraw/zinc/14/00/99/822140099.db2.gz ZZYJPBGREYETRU-UHFFFAOYSA-N 1 0 390.483 4.196 20 0 GIADRO Cc1nc(C(C)(C)[NH2+]C[C@@H](O)COc2ccccc2C(F)(F)F)sc1C ZINC000182193950 822141184 /nfs/dbraw/zinc/14/11/84/822141184.db2.gz GYRHBYRGNPXUNE-CYBMUJFWSA-N 1 0 388.455 4.043 20 0 GIADRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]C2(c3cccc(F)c3)CC2)cc1 ZINC000182221490 822154061 /nfs/dbraw/zinc/15/40/61/822154061.db2.gz ZBXXJDRRJDPQQX-MRXNPFEDSA-N 1 0 390.524 4.196 20 0 GIADRO COc1cc(C[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)cc(OC)c1OC ZINC000182232552 822158550 /nfs/dbraw/zinc/15/85/50/822158550.db2.gz QASLMJOCPUAGBT-MRXNPFEDSA-N 1 0 377.868 4.369 20 0 GIADRO CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)NCC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000182255185 822171030 /nfs/dbraw/zinc/17/10/30/822171030.db2.gz GHZUDOKVDNSCTJ-MRXNPFEDSA-N 1 0 393.959 4.319 20 0 GIADRO C[C@@H]([NH2+]C1(c2cccc(Br)c2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000182272770 822181832 /nfs/dbraw/zinc/18/18/32/822181832.db2.gz GSZGBYIKRXDLQR-CYBMUJFWSA-N 1 0 394.334 4.193 20 0 GIADRO CCOc1ncccc1CN[C@@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000182350728 822210617 /nfs/dbraw/zinc/21/06/17/822210617.db2.gz LXLLBHRYTDDMMU-SFHVURJKSA-N 1 0 383.536 4.326 20 0 GIADRO Cc1ccc2c(CC(=O)Nc3ccc(N4CCC([NH+](C)C)CC4)cc3)c[nH]c2c1 ZINC000182352170 822211046 /nfs/dbraw/zinc/21/10/46/822211046.db2.gz MSIKMZBMSWXMHJ-UHFFFAOYSA-N 1 0 390.531 4.188 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3cccc(Cl)c3F)cc2)CC1 ZINC000182351125 822211264 /nfs/dbraw/zinc/21/12/64/822211264.db2.gz GKPOGAJDCJSKLY-UHFFFAOYSA-N 1 0 375.875 4.262 20 0 GIADRO CC(C)Cc1nc(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)cs1 ZINC000182360102 822214897 /nfs/dbraw/zinc/21/48/97/822214897.db2.gz QSRLLRTVFBSIDC-UHFFFAOYSA-N 1 0 386.565 4.124 20 0 GIADRO Cc1ccc2cccc(C(=O)Nc3ccc(N4CCC([NH+](C)C)CC4)cc3)c2n1 ZINC000182359825 822215123 /nfs/dbraw/zinc/21/51/23/822215123.db2.gz VJMVPSWJAOMGDV-UHFFFAOYSA-N 1 0 388.515 4.326 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H]3C[C@@H]3c3cc(F)ccc3F)cc2)CC1 ZINC000182362781 822215979 /nfs/dbraw/zinc/21/59/79/822215979.db2.gz GALVGSMBXSNQLV-TZIWHRDSSA-N 1 0 399.485 4.237 20 0 GIADRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)C(=O)N[C@H](C)c2ccc3ccccc3c2)c1 ZINC000182375542 822220161 /nfs/dbraw/zinc/22/01/61/822220161.db2.gz NWUVUMADVSLAPP-IXDOHACOSA-N 1 0 392.499 4.471 20 0 GIADRO COc1ccc([C@H](NC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)C2CC2)cc1 ZINC000182380399 822222193 /nfs/dbraw/zinc/22/21/93/822222193.db2.gz JLONOYBHDRRLJR-GTCCEBARSA-N 1 0 385.552 4.099 20 0 GIADRO Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+]C(C)(C)c1cccc(Cl)c1 ZINC000182455974 822248960 /nfs/dbraw/zinc/24/89/60/822248960.db2.gz JTEJXVVHKCVSPH-UHFFFAOYSA-N 1 0 377.916 4.130 20 0 GIADRO CCC[C@H](C)C[NH2+][C@@H](c1ccc(OC)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000182463489 822253038 /nfs/dbraw/zinc/25/30/38/822253038.db2.gz XITKPXUVVZBGBW-KKSFZXQISA-N 1 0 375.534 4.214 20 0 GIADRO C[C@H]([NH2+]Cc1ccccc1N1CCOCC1)c1cc(Br)ccc1F ZINC000177964495 822260092 /nfs/dbraw/zinc/26/00/92/822260092.db2.gz KTGKWYZJJULPMH-AWEZNQCLSA-N 1 0 393.300 4.276 20 0 GIADRO COc1ccc([C@@H](C)NC2CC[NH+](CCc3ccccc3)CC2)cc1NC(C)=O ZINC000177969531 822262818 /nfs/dbraw/zinc/26/28/18/822262818.db2.gz TZPPANJHJIBXMF-GOSISDBHSA-N 1 0 395.547 4.011 20 0 GIADRO C[C@H]([NH2+]CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(-n2ccnc2)cc1 ZINC000177976864 822266174 /nfs/dbraw/zinc/26/61/74/822266174.db2.gz ISOCVWBHPPIDCI-ZWKOTPCHSA-N 1 0 384.524 4.170 20 0 GIADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)Nc1cc(Br)c(F)cc1Cl ZINC000177985952 822269684 /nfs/dbraw/zinc/26/96/84/822269684.db2.gz LRYKGJCBEQXJQK-JTQLQIEISA-N 1 0 392.700 4.047 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000177987404 822270619 /nfs/dbraw/zinc/27/06/19/822270619.db2.gz JKUCIWBDSDMATC-QXAKKESOSA-N 1 0 398.576 4.305 20 0 GIADRO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2cc(Br)c(F)cc2Cl)C1 ZINC000177989091 822271657 /nfs/dbraw/zinc/27/16/57/822271657.db2.gz KMZQPBHXUURZFU-JTQLQIEISA-N 1 0 392.700 4.190 20 0 GIADRO O=c1[nH]c2ccccc2cc1C[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000177997409 822276133 /nfs/dbraw/zinc/27/61/33/822276133.db2.gz PSSXXMOOYVVQGG-FYYLOGMGSA-N 1 0 376.500 4.396 20 0 GIADRO Cc1nc(C)c(C[N@@H+]2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)s1 ZINC000178000931 822277121 /nfs/dbraw/zinc/27/71/21/822277121.db2.gz QISIJVHFNLVMGO-ZDUSSCGKSA-N 1 0 395.454 4.201 20 0 GIADRO CC(=O)c1ccc(NC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1Cl ZINC000182514279 822277494 /nfs/dbraw/zinc/27/74/94/822277494.db2.gz KQITWEYFAHDIMD-GOSISDBHSA-N 1 0 399.922 4.229 20 0 GIADRO CCCN(Cc1ccc(C)cc1)C(=O)C[NH2+][C@@H](C)c1cccc(NC(C)=O)c1 ZINC000182526732 822283844 /nfs/dbraw/zinc/28/38/44/822283844.db2.gz OCJNBASUCZKUIZ-SFHVURJKSA-N 1 0 381.520 4.043 20 0 GIADRO O=C(c1ccccc1F)N1CCC([NH2+][C@@H]2CCSc3c(F)cccc32)CC1 ZINC000178017462 822283918 /nfs/dbraw/zinc/28/39/18/822283918.db2.gz PWQKHDSWTRSTAH-LJQANCHMSA-N 1 0 388.483 4.396 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CC(=O)N[C@H](C)c2cccc3ccccc32)c1 ZINC000182527210 822284252 /nfs/dbraw/zinc/28/42/52/822284252.db2.gz CTQDNWFZPZWJQF-IAGOWNOFSA-N 1 0 389.499 4.326 20 0 GIADRO COc1ccc([C@@H](C)NCc2cccc3c2OCO3)cc1C[NH+]1CCCCC1 ZINC000182539403 822290815 /nfs/dbraw/zinc/29/08/15/822290815.db2.gz FVGPDRPQGDMYBM-QGZVFWFLSA-N 1 0 382.504 4.261 20 0 GIADRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)Nc1cccc(OCCF)c1 ZINC000178032410 822291439 /nfs/dbraw/zinc/29/14/39/822291439.db2.gz DTFZVAYCXSWYIY-UHFFFAOYSA-N 1 0 385.483 4.069 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc3nc(-c4ccc(F)cc4)oc3c2)C1 ZINC000178035099 822292208 /nfs/dbraw/zinc/29/22/08/822292208.db2.gz HAUKDEKPNRVPMX-OAHLLOKOSA-N 1 0 396.466 4.439 20 0 GIADRO Brc1ccc([C@H](NC[C@@H]2CC[N@@H+](C3CC3)C2)c2ccco2)cc1 ZINC000182541298 822292334 /nfs/dbraw/zinc/29/23/34/822292334.db2.gz WQTNRVIECHREEL-LIRRHRJNSA-N 1 0 375.310 4.205 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)C1 ZINC000178035927 822292375 /nfs/dbraw/zinc/29/23/75/822292375.db2.gz LGKBGNXVGXCXCY-LBPRGKRZSA-N 1 0 393.837 4.087 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(OCc3ccccc3)cc2C)C1 ZINC000178036839 822293033 /nfs/dbraw/zinc/29/30/33/822293033.db2.gz AWCZNSPDTZJOMZ-HXUWFJFHSA-N 1 0 381.520 4.380 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)c1 ZINC000182547282 822295627 /nfs/dbraw/zinc/29/56/27/822295627.db2.gz OFBYHFGGQLODJZ-CVEARBPZSA-N 1 0 393.487 4.261 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(Cl)cn3)cc2)C1 ZINC000178043091 822295869 /nfs/dbraw/zinc/29/58/69/822295869.db2.gz TUPWAZKPKQTFRS-HNNXBMFYSA-N 1 0 388.899 4.333 20 0 GIADRO CC[C@@H]1CCCCN1C(=O)C[NH2+][C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000182559398 822301749 /nfs/dbraw/zinc/30/17/49/822301749.db2.gz HRORVLKCMXKYSR-XMSQKQJNSA-N 1 0 393.531 4.381 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)NC1CCCC1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000182559705 822302375 /nfs/dbraw/zinc/30/23/75/822302375.db2.gz JTXYHKHAQSTZJZ-SJORKVTESA-N 1 0 379.504 4.037 20 0 GIADRO CCN(CC)C(=O)CCC1CC[NH+](CC(=O)Nc2cccc(C(C)C)c2)CC1 ZINC000182560865 822303128 /nfs/dbraw/zinc/30/31/28/822303128.db2.gz ZDTFPXDJGCVMEA-UHFFFAOYSA-N 1 0 387.568 4.109 20 0 GIADRO C[C@H]([NH2+]CC(=O)N[C@H]1CCCC[C@H]1C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000182563750 822304451 /nfs/dbraw/zinc/30/44/51/822304451.db2.gz GXMQNTVOIGKKNJ-FGSXEWAUSA-N 1 0 393.531 4.284 20 0 GIADRO C[C@H]([NH2+]CC(=O)N[C@@H]1CCCC[C@@H]1C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000182563810 822304788 /nfs/dbraw/zinc/30/47/88/822304788.db2.gz GXMQNTVOIGKKNJ-NPPFBWRTSA-N 1 0 393.531 4.284 20 0 GIADRO CC[NH+]1CCN(c2ccc(N[C@@H](C)c3ccc([S@@](C)=O)cc3)c(C)c2)CC1 ZINC000182565499 822305164 /nfs/dbraw/zinc/30/51/64/822305164.db2.gz MYMKCQMUGZXOAB-XRHLQHRESA-N 1 0 385.577 4.047 20 0 GIADRO CC[NH+]1CCN(c2ccc(N[C@H](C)c3ccc([S@](C)=O)cc3)c(C)c2)CC1 ZINC000182565478 822305244 /nfs/dbraw/zinc/30/52/44/822305244.db2.gz MYMKCQMUGZXOAB-CLYVBNDRSA-N 1 0 385.577 4.047 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2ccc(-c3ncco3)cc2)C1 ZINC000182565588 822305468 /nfs/dbraw/zinc/30/54/68/822305468.db2.gz FTVOXUYHBWZLPN-MSOLQXFVSA-N 1 0 382.508 4.460 20 0 GIADRO CN(C)S(=O)(=O)c1cccc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CCC2)c1 ZINC000182582748 822311584 /nfs/dbraw/zinc/31/15/84/822311584.db2.gz PZSZGULGQGWRFI-HXUWFJFHSA-N 1 0 392.952 4.221 20 0 GIADRO CC[C@H]([NH2+]CC(=O)Nc1cccc(N2CCCC2=O)c1)c1cccc(Cl)c1 ZINC000182583338 822312284 /nfs/dbraw/zinc/31/22/84/822312284.db2.gz PYIUMKZAKQDASG-IBGZPJMESA-N 1 0 385.895 4.146 20 0 GIADRO CC[C@H]([NH2+]CC(=O)Nc1nc(CN2CCCC2)cs1)c1cccc(Cl)c1 ZINC000182585364 822312736 /nfs/dbraw/zinc/31/27/36/822312736.db2.gz LHEGIUHSBHDLAD-KRWDZBQOSA-N 1 0 392.956 4.072 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@@H]2CCc3c2cccc3Cl)c1 ZINC000178090614 822315058 /nfs/dbraw/zinc/31/50/58/822315058.db2.gz ZDODARAAVWHPFF-SCLBCKFNSA-N 1 0 388.895 4.351 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@@H]2CCc3c2cccc3Cl)ccc1S(C)(=O)=O ZINC000178091803 822315511 /nfs/dbraw/zinc/31/55/11/822315511.db2.gz PFHWJOPNDFYNBC-SJKOYZFVSA-N 1 0 379.909 4.090 20 0 GIADRO COc1cc(C[NH2+]C(C)(C)c2ccc(F)cc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000182595918 822316804 /nfs/dbraw/zinc/31/68/04/822316804.db2.gz XTDPYYFHMHBWOR-UHFFFAOYSA-N 1 0 398.381 4.411 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)cc1NC(C)=O ZINC000178102914 822320734 /nfs/dbraw/zinc/32/07/34/822320734.db2.gz FECLZROBODDANY-OAHLLOKOSA-N 1 0 398.503 4.460 20 0 GIADRO Cc1ccc(OCCCC(=O)Nc2ccc(C[NH2+][C@@H](C)[C@@H]3CCOC3)cc2)cc1 ZINC000178114497 822324245 /nfs/dbraw/zinc/32/42/45/822324245.db2.gz GXXCUWJYRVSZRZ-PZJWPPBQSA-N 1 0 396.531 4.307 20 0 GIADRO CCOC(=O)C1CCC([NH2+]Cc2ccc(C(=O)Nc3ccc(F)cc3)cc2)CC1 ZINC000182618526 822324827 /nfs/dbraw/zinc/32/48/27/822324827.db2.gz NKPOBIXXLPKPAJ-UHFFFAOYSA-N 1 0 398.478 4.290 20 0 GIADRO COc1ccc([C@H](N[C@@H](C)c2ccoc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000178123785 822326544 /nfs/dbraw/zinc/32/65/44/822326544.db2.gz KGUFMSHOCBGNDT-BTYIYWSLSA-N 1 0 385.485 4.132 20 0 GIADRO O=C1Nc2ccccc2C12CCC([NH2+][C@@H](c1ccccc1)[C@H]1CCCO1)CC2 ZINC000178124867 822326565 /nfs/dbraw/zinc/32/65/65/822326565.db2.gz QQKJMWSRIMMJJG-QOGHZYJPSA-N 1 0 376.500 4.329 20 0 GIADRO COc1ccc(CN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c2cc3ccccc3o2)cc1F ZINC000182626237 822328071 /nfs/dbraw/zinc/32/80/71/822328071.db2.gz YBROFMNKBNXLGR-GJZGRUSLSA-N 1 0 384.451 4.278 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)[NH2+]CC(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000178133238 822328735 /nfs/dbraw/zinc/32/87/35/822328735.db2.gz XNKDCGQPSHFQFQ-SFHVURJKSA-N 1 0 376.504 4.395 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1cc2ccccc2o1)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000182627292 822329013 /nfs/dbraw/zinc/32/90/13/822329013.db2.gz HIVWMABZZQRYSE-HZPDHXFCSA-N 1 0 391.471 4.237 20 0 GIADRO CC(C)Oc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000178142775 822331186 /nfs/dbraw/zinc/33/11/86/822331186.db2.gz GQFXPXGPSGUBNL-HZPDHXFCSA-N 1 0 376.522 4.257 20 0 GIADRO CN(C)C(=O)N1CCC([NH2+][C@@H](c2cccs2)c2ccc(Cl)cc2)CC1 ZINC000182648818 822338046 /nfs/dbraw/zinc/33/80/46/822338046.db2.gz QKLUKQDADRXCPD-GOSISDBHSA-N 1 0 377.941 4.227 20 0 GIADRO CCOC(=O)C1CCC([NH2+][C@H](C)[C@@H](OC2CCOCC2)c2ccccc2)CC1 ZINC000182658704 822341798 /nfs/dbraw/zinc/34/17/98/822341798.db2.gz PBCNSNQFWVAFDJ-ABRVWIGJSA-N 1 0 389.536 4.023 20 0 GIADRO O=C(Nc1cccc(OCc2cscn2)c1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178181267 822345153 /nfs/dbraw/zinc/34/51/53/822345153.db2.gz OICDRUWFJXZORV-MRXNPFEDSA-N 1 0 385.533 4.315 20 0 GIADRO CCOc1c(Br)cc(C(=O)Nc2ccc([C@H](C)[NH3+])cc2)cc1OC ZINC000178183603 822345527 /nfs/dbraw/zinc/34/55/27/822345527.db2.gz ABBWYPRVHQTPNF-NSHDSACASA-N 1 0 393.281 4.128 20 0 GIADRO CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000182669262 822345555 /nfs/dbraw/zinc/34/55/55/822345555.db2.gz CLHLKOYZKXWEJW-WIYYLYMNSA-N 1 0 397.567 4.167 20 0 GIADRO c1ccc(-c2nc3c(s2)[C@H]([NH2+][C@@H]2CCCN(c4ncccn4)C2)CCC3)cc1 ZINC000178190952 822347590 /nfs/dbraw/zinc/34/75/90/822347590.db2.gz CMMFVLSAFRSNIB-QZTJIDSGSA-N 1 0 391.544 4.236 20 0 GIADRO CCOC(=O)C1CCC([NH2+]C[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000182678950 822348985 /nfs/dbraw/zinc/34/89/85/822348985.db2.gz WGYUAOUKTGXYCS-GTWUMGGNSA-N 1 0 396.934 4.183 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@H]2CCCN(c3ncccn3)C2)ccc1SC(F)F ZINC000178195776 822349511 /nfs/dbraw/zinc/34/95/11/822349511.db2.gz KDQUGEOVRKBBKB-HIFRSBDPSA-N 1 0 394.491 4.120 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]CCC(=O)N1CCCCC1 ZINC000178198618 822349989 /nfs/dbraw/zinc/34/99/89/822349989.db2.gz XRSUEEYWDNMDAO-AWEZNQCLSA-N 1 0 375.513 4.311 20 0 GIADRO C[C@@H](c1cccnc1)N(C)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000178199093 822350473 /nfs/dbraw/zinc/35/04/73/822350473.db2.gz WTDAHARRMFAUPY-SFHVURJKSA-N 1 0 382.508 4.171 20 0 GIADRO Cn1cccc1[C@H]1CCCN1C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000178201532 822350934 /nfs/dbraw/zinc/35/09/34/822350934.db2.gz XHOCNWQSNHISSF-JOCHJYFZSA-N 1 0 396.535 4.259 20 0 GIADRO COc1cc(CCC(=O)Nc2ccc([C@H](C)[NH3+])cc2)ccc1OCC(F)(F)F ZINC000178219323 822355096 /nfs/dbraw/zinc/35/50/96/822355096.db2.gz ZBXDBYQUOVVFEZ-ZDUSSCGKSA-N 1 0 396.409 4.227 20 0 GIADRO Cc1ccc(OC(F)F)c(CNC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000182722769 822357882 /nfs/dbraw/zinc/35/78/82/822357882.db2.gz OTSARKKGJPUPDX-JKSUJKDBSA-N 1 0 395.494 4.049 20 0 GIADRO CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000178255425 822359236 /nfs/dbraw/zinc/35/92/36/822359236.db2.gz NPYZAALWTHMDOG-DRFBCEGUSA-N 1 0 397.563 4.002 20 0 GIADRO O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@@H]([NH2+]CCC2CC(F)(F)C2)C1 ZINC000453413711 822359554 /nfs/dbraw/zinc/35/95/54/822359554.db2.gz JAYIJQYIESZXCD-HZPDHXFCSA-N 1 0 376.447 4.009 20 0 GIADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)c2ccccc2OC)cc1 ZINC000178257028 822359764 /nfs/dbraw/zinc/35/97/64/822359764.db2.gz IZZBPMAGTZJFFY-DLBZAZTESA-N 1 0 390.549 4.138 20 0 GIADRO Cc1cc(C(=O)N2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c(C)n1C(C)C ZINC000178257529 822359865 /nfs/dbraw/zinc/35/98/65/822359865.db2.gz WPHUJTVNIUIERQ-RTBURBONSA-N 1 0 389.584 4.037 20 0 GIADRO Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H](C)c2c1cccc2Br ZINC000453419666 822360393 /nfs/dbraw/zinc/36/03/93/822360393.db2.gz DDVPYCSXDQARIU-BTJLNZGRSA-N 1 0 388.309 4.318 20 0 GIADRO C[C@@H]([NH3+])c1ccc(NC(=O)c2nc(C3CC3)n(-c3ccccc3Cl)n2)cc1 ZINC000178261870 822360454 /nfs/dbraw/zinc/36/04/54/822360454.db2.gz LBFQAVAFZUXRSU-GFCCVEGCSA-N 1 0 381.867 4.070 20 0 GIADRO COc1cccc(C[NH2+][C@H]2CCCOc3ccc(Br)cc32)c1OC ZINC000178263759 822360593 /nfs/dbraw/zinc/36/05/93/822360593.db2.gz KLSJRUGAJRSBAZ-INIZCTEOSA-N 1 0 392.293 4.470 20 0 GIADRO Cc1ccc([C@H]([NH2+]CCc2ccc(C)cn2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000453425772 822361311 /nfs/dbraw/zinc/36/13/11/822361311.db2.gz NUJNPFKKIAPYSV-QHCPKHFHSA-N 1 0 394.540 4.024 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+][C@H](CO)Cc1ccc(C)c(C)c1 ZINC000453430875 822362048 /nfs/dbraw/zinc/36/20/48/822362048.db2.gz IYCWHCAMLFHFJI-JXFKEZNVSA-N 1 0 381.545 4.385 20 0 GIADRO O=C(NCCC[NH+]1CCCCC1)N(Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000178274630 822362110 /nfs/dbraw/zinc/36/21/10/822362110.db2.gz NZSUZWXPZXZFBT-UHFFFAOYSA-N 1 0 392.547 4.299 20 0 GIADRO COc1ccc([C@@H](C)NC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)cc1F ZINC000045102965 822363167 /nfs/dbraw/zinc/36/31/67/822363167.db2.gz ULUONZXMIMQGGX-QGZVFWFLSA-N 1 0 391.531 4.193 20 0 GIADRO C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)[NH2+]Cc1nnc2n1CCCCC2 ZINC000178285391 822363443 /nfs/dbraw/zinc/36/34/43/822363443.db2.gz FWFHVZQFUKPYAZ-QWHCGFSZSA-N 1 0 383.323 4.257 20 0 GIADRO COc1cc(C)c([C@@H](C)NC(=O)C[NH2+][C@H](C)c2cc(C)sc2C)cc1OC ZINC000182759510 822363457 /nfs/dbraw/zinc/36/34/57/822363457.db2.gz IUAMXNXIEGLKNZ-HUUCEWRRSA-N 1 0 390.549 4.219 20 0 GIADRO Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@@H](C)CCc1cccc(C(F)(F)F)c1 ZINC000453442201 822363614 /nfs/dbraw/zinc/36/36/14/822363614.db2.gz NEHKYNUCSDURSE-ZFWWWQNUSA-N 1 0 379.426 4.347 20 0 GIADRO Cc1ccc(C(=O)C2CCN(C(=O)NCCC[NH+]3CCC(C)CC3)CC2)c(C)c1 ZINC000045122527 822364186 /nfs/dbraw/zinc/36/41/86/822364186.db2.gz ZHBAOBKVQXBWIQ-UHFFFAOYSA-N 1 0 399.579 4.030 20 0 GIADRO Cc1nc([C@@H](C)[NH+]2CCC(C(=O)N(C)C)CC2)oc1-c1ccc(Cl)cc1 ZINC000178293513 822364343 /nfs/dbraw/zinc/36/43/43/822364343.db2.gz ALDNZRPEFHEYHM-CQSZACIVSA-N 1 0 375.900 4.165 20 0 GIADRO C[C@@H](Nc1cccc(C(=O)NC(C)(C)C)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000182779358 822366170 /nfs/dbraw/zinc/36/61/70/822366170.db2.gz BVEYGRLZYLHWEV-QGZVFWFLSA-N 1 0 383.536 4.328 20 0 GIADRO COc1ccc(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1OC1CCCC1 ZINC000182788313 822367522 /nfs/dbraw/zinc/36/75/22/822367522.db2.gz PWZHTVQPOXPSLI-IBGZPJMESA-N 1 0 386.536 4.107 20 0 GIADRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccnc1C)c1ccc(OC(F)(F)F)cc1 ZINC000453457437 822367643 /nfs/dbraw/zinc/36/76/43/822367643.db2.gz VLXOEMXYOHOUKK-XJKSGUPXSA-N 1 0 381.398 4.357 20 0 GIADRO CCOc1cc(NC(=O)NCc2ccccc2C[NH+](CC)CC)ccc1OC ZINC000045184738 822368520 /nfs/dbraw/zinc/36/85/20/822368520.db2.gz DNXXAPBXFVREKL-UHFFFAOYSA-N 1 0 385.508 4.257 20 0 GIADRO Cc1c([C@H](C)[NH2+]C2CCN(CC(F)(F)F)CC2)cnn1-c1cc(C)ccc1C ZINC000178365195 822371535 /nfs/dbraw/zinc/37/15/35/822371535.db2.gz UVYACXIQNGYSMU-INIZCTEOSA-N 1 0 394.485 4.475 20 0 GIADRO COc1cc(C[NH2+][C@H]2CC(C)(C)Oc3cc(F)ccc32)cc(OC)c1OC ZINC000178378813 822372901 /nfs/dbraw/zinc/37/29/01/822372901.db2.gz JFILTHZHHNVPNB-INIZCTEOSA-N 1 0 375.440 4.244 20 0 GIADRO CCN(CC)c1ccc(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)cc1 ZINC000182831223 822374534 /nfs/dbraw/zinc/37/45/34/822374534.db2.gz HRPOJFXACZFDRY-UHFFFAOYSA-N 1 0 394.563 4.316 20 0 GIADRO Cc1nc(-c2ccc(CNC(=O)NCCCC[N@H+]3CCC[C@@H](C)C3)o2)cs1 ZINC000045275141 822375481 /nfs/dbraw/zinc/37/54/81/822375481.db2.gz ZXDKLBNCQWQNHA-OAHLLOKOSA-N 1 0 390.553 4.023 20 0 GIADRO Cc1nc2ccccc2n1CC[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000178405690 822375975 /nfs/dbraw/zinc/37/59/75/822375975.db2.gz CTARCUAOJDJOSL-KRWDZBQOSA-N 1 0 389.503 4.008 20 0 GIADRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)COc1cccc2cccnc21 ZINC000182839516 822376234 /nfs/dbraw/zinc/37/62/34/822376234.db2.gz MGTXOVRFRHARJN-UHFFFAOYSA-N 1 0 375.472 4.157 20 0 GIADRO CC(C)(C)[NH+]1CCC(NCc2cccc(NC(=O)c3ccc(F)cc3)c2)CC1 ZINC000178409498 822376528 /nfs/dbraw/zinc/37/65/28/822376528.db2.gz NCGZEODNMVKLAN-UHFFFAOYSA-N 1 0 383.511 4.431 20 0 GIADRO COc1c(C)cc(CN(C)C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1C ZINC000182841866 822376654 /nfs/dbraw/zinc/37/66/54/822376654.db2.gz YSJLKNUJFBVPDB-QUCCMNQESA-N 1 0 387.568 4.106 20 0 GIADRO C[N@H+](CCCOc1cccc(C(F)(F)F)c1)Cc1ccc([S@@](C)=O)cc1 ZINC000178409850 822376662 /nfs/dbraw/zinc/37/66/62/822376662.db2.gz NNHYOZZQZBNPDI-AREMUKBSSA-N 1 0 385.451 4.344 20 0 GIADRO C[C@H](NC(=O)N1C[C@H](c2ccc(F)cc2)C[C@@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182847290 822377945 /nfs/dbraw/zinc/37/79/45/822377945.db2.gz DIGLBLUQAFOAON-RAUXBKROSA-N 1 0 387.543 4.366 20 0 GIADRO O=C(CCc1ccccc1)N1CC[C@@H]([NH2+][C@@H]2CCSc3c(F)cccc32)C1 ZINC000178444647 822379614 /nfs/dbraw/zinc/37/96/14/822379614.db2.gz GDPZFQUDTLXVTN-YLJYHZDGSA-N 1 0 384.520 4.186 20 0 GIADRO Cc1ccc([C@H](CNC(=O)Nc2c(F)cc(Cl)cc2F)[NH+]2CCCC2)o1 ZINC000182861064 822381011 /nfs/dbraw/zinc/38/10/11/822381011.db2.gz XUSHRXJDYCEIQL-HNNXBMFYSA-N 1 0 383.826 4.478 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)Nc2c(F)cc(Cl)cc2F)[NH+]2CCCC2)o1 ZINC000182861043 822381021 /nfs/dbraw/zinc/38/10/21/822381021.db2.gz XUSHRXJDYCEIQL-OAHLLOKOSA-N 1 0 383.826 4.478 20 0 GIADRO C[C@@H](NC(=O)Nc1ccc(F)cc1Br)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182865757 822381781 /nfs/dbraw/zinc/38/17/81/822381781.db2.gz JXPGOJPVPJQVDD-OLZOCXBDSA-N 1 0 398.320 4.363 20 0 GIADRO C[C@@H](NC(=O)Nc1ccc(N2CCCC2)c(F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182868922 822382520 /nfs/dbraw/zinc/38/25/20/822382520.db2.gz IGSUIMYAWSGWOF-SJORKVTESA-N 1 0 388.531 4.200 20 0 GIADRO COc1ccc([C@H](C)[NH2+]Cc2ccc(OC(F)(F)F)cc2)cc1NC(C)=O ZINC000178472790 822382841 /nfs/dbraw/zinc/38/28/41/822382841.db2.gz XWTTTXZSUHIYTP-LBPRGKRZSA-N 1 0 382.382 4.403 20 0 GIADRO O=C(NC1CC[NH+](CC2CC2)CC1)c1ccc2cc(Br)ccc2c1 ZINC000178475952 822383006 /nfs/dbraw/zinc/38/30/06/822383006.db2.gz WMOHABRJMBFNHD-UHFFFAOYSA-N 1 0 387.321 4.207 20 0 GIADRO CC[C@@H]([NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1)c1ccc2c(c1)OCCO2 ZINC000178480641 822383734 /nfs/dbraw/zinc/38/37/34/822383734.db2.gz HLOIGZRLPYEJIC-OXQOHEQNSA-N 1 0 380.488 4.387 20 0 GIADRO COc1ccc(NC(=O)CC[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)cc1 ZINC000182879740 822385111 /nfs/dbraw/zinc/38/51/11/822385111.db2.gz RUGRVAXEJCPUNT-HNNXBMFYSA-N 1 0 396.466 4.008 20 0 GIADRO Fc1ccc(Cn2cc(C[NH+]3CCC4(CC3)OCCc3ccccc34)cn2)cc1 ZINC000453571289 822385963 /nfs/dbraw/zinc/38/59/63/822385963.db2.gz CCVQBVBXVRLIPR-UHFFFAOYSA-N 1 0 391.490 4.135 20 0 GIADRO FC(F)(F)c1ccc2c(NCc3ccnc(N4CCOCC4)c3)cc[nH+]c2c1 ZINC000178509514 822386314 /nfs/dbraw/zinc/38/63/14/822386314.db2.gz RKIRJSSNGFZWKA-UHFFFAOYSA-N 1 0 388.393 4.097 20 0 GIADRO Cc1cc(Br)c(C[NH2+]Cc2ccnc(N3CCCCC3)c2)s1 ZINC000453576240 822386873 /nfs/dbraw/zinc/38/68/73/822386873.db2.gz VGOBRGGXRVNRPC-UHFFFAOYSA-N 1 0 380.355 4.494 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000453576570 822387076 /nfs/dbraw/zinc/38/70/76/822387076.db2.gz VUYLODKLKDDMBV-NSHDSACASA-N 1 0 395.454 4.432 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1cccc(CSc2ccccn2)c1)c1cccnc1 ZINC000182891952 822387293 /nfs/dbraw/zinc/38/72/93/822387293.db2.gz QINWSYDWEDVCDY-INIZCTEOSA-N 1 0 378.501 4.058 20 0 GIADRO C[C@H](NC(=O)N(C)Cc1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182893327 822387436 /nfs/dbraw/zinc/38/74/36/822387436.db2.gz ABGVURVCSJJKPQ-DOTOQJQBSA-N 1 0 397.485 4.500 20 0 GIADRO c1nc(-c2ccncc2)sc1C[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000453579737 822387713 /nfs/dbraw/zinc/38/77/13/822387713.db2.gz RYLGVGLZLJAMOD-UHFFFAOYSA-N 1 0 377.513 4.269 20 0 GIADRO C[C@@H]([NH2+]CCCc1nnc2n1CCCCC2)c1ccc(Br)s1 ZINC000178525184 822387961 /nfs/dbraw/zinc/38/79/61/822387961.db2.gz CGGCGMHDAXPKOX-GFCCVEGCSA-N 1 0 383.359 4.112 20 0 GIADRO COc1cc(NC(=O)C[NH2+][C@@H](C)c2cc(C)cc(C)c2)c(OC)cc1Cl ZINC000182897293 822388233 /nfs/dbraw/zinc/38/82/33/822388233.db2.gz PQUYLPMHZMXFNA-AWEZNQCLSA-N 1 0 376.884 4.263 20 0 GIADRO COc1ccc(OCc2nc(C[NH2+]C[C@H]3CCOC(C)(C)C3)cs2)cc1 ZINC000453585390 822388754 /nfs/dbraw/zinc/38/87/54/822388754.db2.gz SPBZSMOKGACRSJ-HNNXBMFYSA-N 1 0 376.522 4.026 20 0 GIADRO Cc1cc(Br)c(C[NH2+]C2CCN(c3cccc(C)n3)CC2)s1 ZINC000453587713 822389238 /nfs/dbraw/zinc/38/92/38/822389238.db2.gz KVDIKXZYWKDIPZ-UHFFFAOYSA-N 1 0 380.355 4.281 20 0 GIADRO CCOCCC[N@@H+]1CC[C@@H](NCc2sc(C)cc2Br)[C@@H](C)C1 ZINC000453592373 822390204 /nfs/dbraw/zinc/39/02/04/822390204.db2.gz RCXIXUNJVHOZKS-XJKSGUPXSA-N 1 0 389.403 4.046 20 0 GIADRO Cc1nc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)sc1C ZINC000178546807 822390508 /nfs/dbraw/zinc/39/05/08/822390508.db2.gz IEKIJAJTQXEHQE-OALUTQOASA-N 1 0 384.549 4.278 20 0 GIADRO CON1CCC([N@H+](C)Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC1 ZINC000453604146 822391462 /nfs/dbraw/zinc/39/14/62/822391462.db2.gz MAWAMIODUVXDNF-UHFFFAOYSA-N 1 0 387.911 4.050 20 0 GIADRO COCCC[C@@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1O)c1ccc(Br)cc1 ZINC000178570416 822392625 /nfs/dbraw/zinc/39/26/25/822392625.db2.gz WVOYMLUSWCLZAB-HSALFYBXSA-N 1 0 390.321 4.165 20 0 GIADRO C[C@@H](NC(=O)Nc1ccccc1OCC(F)(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182918911 822392728 /nfs/dbraw/zinc/39/27/28/822392728.db2.gz IGGUFHIPZOWPQM-CABCVRRESA-N 1 0 399.457 4.402 20 0 GIADRO C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+][C@@H](C)C(=O)Nc1cccnc1C ZINC000453611977 822393038 /nfs/dbraw/zinc/39/30/38/822393038.db2.gz MMEJCLIGMVHQDW-WVUXNXBLSA-N 1 0 377.410 4.429 20 0 GIADRO CCC(CC)n1nc(C(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2C)cc1C ZINC000182923136 822393481 /nfs/dbraw/zinc/39/34/81/822393481.db2.gz PABZBUAZWUQJEQ-UHFFFAOYSA-N 1 0 397.567 4.255 20 0 GIADRO Cc1ncc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c(C(C)C)n1 ZINC000178600378 822395278 /nfs/dbraw/zinc/39/52/78/822395278.db2.gz IOOFHDOVFOYLAA-IFMALSPDSA-N 1 0 392.547 4.035 20 0 GIADRO Cc1nc(COc2ccc(C[N@@H+](Cc3cnn(C)c3)CC(C)C)cc2)cs1 ZINC000453628073 822395588 /nfs/dbraw/zinc/39/55/88/822395588.db2.gz WJDKYUAOAZYWFZ-UHFFFAOYSA-N 1 0 384.549 4.422 20 0 GIADRO CCCOc1ccc([C@H](C)[NH2+]Cc2cccc(NC(=O)[C@@H]3CCCO3)c2)cc1 ZINC000178615552 822396369 /nfs/dbraw/zinc/39/63/69/822396369.db2.gz UUWJCKACMCVRTM-JTSKRJEESA-N 1 0 382.504 4.444 20 0 GIADRO O=C(CSc1nccc2ccccc21)NC1CC[NH+](CC2CCCC2)CC1 ZINC000178617926 822396714 /nfs/dbraw/zinc/39/67/14/822396714.db2.gz BRZNXIDSCOAKLP-UHFFFAOYSA-N 1 0 383.561 4.098 20 0 GIADRO COc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@H](C)c2cc(C)cc(C)c2)cc1OC ZINC000182947693 822398161 /nfs/dbraw/zinc/39/81/61/822398161.db2.gz DXVMXFIBVGTNRY-WIYYLYMNSA-N 1 0 396.531 4.335 20 0 GIADRO COc1ccc(CN(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)C2CC2)cc1 ZINC000182952103 822398953 /nfs/dbraw/zinc/39/89/53/822398953.db2.gz IQQFGTFYMPGKII-IEBWSBKVSA-N 1 0 385.552 4.022 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]C[C@H](CCO)c2ccccc2)cc1Br ZINC000178643754 822399154 /nfs/dbraw/zinc/39/91/54/822399154.db2.gz VJLGEIIBZJOIHL-PBHICJAKSA-N 1 0 378.310 4.275 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]C[C@H](O)COCc1ccccc1 ZINC000178654182 822399759 /nfs/dbraw/zinc/39/97/59/822399759.db2.gz MKCBNKUOWWGPRI-UZLBHIALSA-N 1 0 382.529 4.347 20 0 GIADRO OCC[C@H](C[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1)c1ccccc1 ZINC000178656904 822400187 /nfs/dbraw/zinc/40/01/87/822400187.db2.gz ASCVOGSPPNAHCX-GOSISDBHSA-N 1 0 390.930 4.199 20 0 GIADRO Cc1nccn1C[C@H](C)C[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000178696196 822403615 /nfs/dbraw/zinc/40/36/15/822403615.db2.gz XXJOIFHAODVDSQ-DYVFJYSZSA-N 1 0 378.314 4.094 20 0 GIADRO Cc1nccn1C[C@@H](C)C[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000178696185 822403673 /nfs/dbraw/zinc/40/36/73/822403673.db2.gz XXJOIFHAODVDSQ-GUYCJALGSA-N 1 0 378.314 4.094 20 0 GIADRO CC(C)N(CC[NH+](C)C)C(=O)NCc1ccc(-c2nc3ccccc3s2)o1 ZINC000178715041 822405108 /nfs/dbraw/zinc/40/51/08/822405108.db2.gz CQZKELZPYFQPQT-UHFFFAOYSA-N 1 0 386.521 4.038 20 0 GIADRO CC(C)n1cc([C@H](C)[NH2+]C[C@@H]2CCN(c3ccc(Br)cc3)C2)cn1 ZINC000178712812 822405132 /nfs/dbraw/zinc/40/51/32/822405132.db2.gz FXWSPIROGBFHHZ-HOTGVXAUSA-N 1 0 391.357 4.404 20 0 GIADRO COc1ccc(C[N@H+](C)CCC(=O)Nc2ccc(Br)cc2F)cc1 ZINC000045684939 822405498 /nfs/dbraw/zinc/40/54/98/822405498.db2.gz HLQOLOXJYRDQQU-UHFFFAOYSA-N 1 0 395.272 4.057 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1)c1ccc(N2CCCC2=O)cc1 ZINC000178722139 822405510 /nfs/dbraw/zinc/40/55/10/822405510.db2.gz XYHLIMFAKAXSOL-IRXDYDNUSA-N 1 0 393.487 4.182 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2sc(-c3ccc(F)c(F)c3)nc2C)[C@H](C)C1 ZINC000182987595 822406010 /nfs/dbraw/zinc/40/60/10/822406010.db2.gz QBDQLWNUBAMHIM-SJKOYZFVSA-N 1 0 393.503 4.199 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(-n2cncn2)cc1)c1ccc(F)cc1Br ZINC000178742317 822406464 /nfs/dbraw/zinc/40/64/64/822406464.db2.gz UJSLXIHVOGPKTI-LBPRGKRZSA-N 1 0 375.245 4.020 20 0 GIADRO CCOc1ccc([C@H](CC)[NH2+]Cc2ccc(-n3cncn3)cc2)cc1OCC ZINC000178743665 822406767 /nfs/dbraw/zinc/40/67/67/822406767.db2.gz SJHLDQAZKUUWIE-FQEVSTJZSA-N 1 0 380.492 4.306 20 0 GIADRO Cc1c([C@@H](C)[NH2+][C@H](C)C(=O)N(C)Cc2ccccc2)cnn1-c1ccc(F)cc1 ZINC000182993575 822407432 /nfs/dbraw/zinc/40/74/32/822407432.db2.gz GZAYPXODMDEPJH-IAGOWNOFSA-N 1 0 394.494 4.018 20 0 GIADRO Cc1cc(Cl)c(NC(=O)C(=O)Nc2cccc(CC[N@@H+](C)C3CC3)c2)cc1C ZINC000453766250 822408551 /nfs/dbraw/zinc/40/85/51/822408551.db2.gz REELYNXZJJEAKX-UHFFFAOYSA-N 1 0 399.922 4.171 20 0 GIADRO CC[NH+]1CCC(n2nccc2NC(=O)c2ccc(-c3ccc(C)o3)s2)CC1 ZINC000183000322 822408740 /nfs/dbraw/zinc/40/87/40/822408740.db2.gz UULGUQHCMDCXIV-UHFFFAOYSA-N 1 0 384.505 4.422 20 0 GIADRO Cc1cc2c(cc1C)[C@H](Nc1cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c1)CCCO2 ZINC000183004897 822409587 /nfs/dbraw/zinc/40/95/87/822409587.db2.gz IVDLLLDSJAEEHN-FGZHOGPDSA-N 1 0 393.531 4.079 20 0 GIADRO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(N[C@@H]2CCCOc3c(Cl)cccc32)c1 ZINC000183006007 822409910 /nfs/dbraw/zinc/40/99/10/822409910.db2.gz HPZXICLIKLWFPU-WOJBJXKFSA-N 1 0 399.922 4.116 20 0 GIADRO Cc1c2ccccc2oc1[C@@H](C)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000183007892 822410402 /nfs/dbraw/zinc/41/04/02/822410402.db2.gz WFAFOOKXQKHBTL-OXQOHEQNSA-N 1 0 377.488 4.364 20 0 GIADRO CCC[C@H](Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1)c1ccc(OC)cc1 ZINC000183007351 822410416 /nfs/dbraw/zinc/41/04/16/822410416.db2.gz RZYMBVRKXNGYAN-FCHUYYIVSA-N 1 0 381.520 4.098 20 0 GIADRO CC(C)(C)[C@@H](NC(=O)NC1CC[NH+](Cc2ccccn2)CC1)c1ccccc1 ZINC000045754042 822410583 /nfs/dbraw/zinc/41/05/83/822410583.db2.gz ULGYRDBCTDSBEZ-NRFANRHFSA-N 1 0 380.536 4.133 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)N2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)c1 ZINC000178795638 822410812 /nfs/dbraw/zinc/41/08/12/822410812.db2.gz INNUKNZFQWKRLM-SFTDATJTSA-N 1 0 385.483 4.007 20 0 GIADRO O=C(Nc1ccc(Cl)cc1Cl)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000045756027 822410879 /nfs/dbraw/zinc/41/08/79/822410879.db2.gz KBXLNXIXHUZBDF-UHFFFAOYSA-N 1 0 379.291 4.175 20 0 GIADRO C[C@H]([NH3+])C1CCN(C(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)CC1 ZINC000178805712 822412125 /nfs/dbraw/zinc/41/21/25/822412125.db2.gz SUXNLQYQEXOMRN-JTQLQIEISA-N 1 0 384.332 4.316 20 0 GIADRO COCCN(Cc1ccco1)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000045780519 822413087 /nfs/dbraw/zinc/41/30/87/822413087.db2.gz RFWIOYFIWCULGS-IBGZPJMESA-N 1 0 399.535 4.012 20 0 GIADRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)CC(C)(C)NC(=O)OC(C)(C)C ZINC000178820327 822413673 /nfs/dbraw/zinc/41/36/73/822413673.db2.gz GUPVWFATMXMXDD-UHFFFAOYSA-N 1 0 389.540 4.223 20 0 GIADRO COc1ccc(F)cc1[C@H](C)NC(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000045789682 822413939 /nfs/dbraw/zinc/41/39/39/822413939.db2.gz YLBKGCPGCPJAFV-INIZCTEOSA-N 1 0 387.499 4.235 20 0 GIADRO C[N@H+](CCNC(=O)c1ccccc1NC(=O)OCc1ccccc1)C1CCCC1 ZINC000183029931 822414355 /nfs/dbraw/zinc/41/43/55/822414355.db2.gz ASQIKIZKYUNWBO-UHFFFAOYSA-N 1 0 395.503 4.040 20 0 GIADRO C[C@H](c1cc2ccccc2o1)N(C)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000045793905 822414437 /nfs/dbraw/zinc/41/44/37/822414437.db2.gz UEJNVXMSUIXCCO-QGZVFWFLSA-N 1 0 395.503 4.276 20 0 GIADRO CCN(C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(NC(=O)C2CC2)cc1)c1ccccc1 ZINC000045812589 822415445 /nfs/dbraw/zinc/41/54/45/822415445.db2.gz LLAFTBHRSJLOGO-SJORKVTESA-N 1 0 379.504 4.127 20 0 GIADRO C[NH+](C)CCOc1cccc(CNC(=O)Nc2cc(Cl)ccc2Cl)c1 ZINC000045812771 822415620 /nfs/dbraw/zinc/41/56/20/822415620.db2.gz WSZAYPXLPFWFFK-UHFFFAOYSA-N 1 0 382.291 4.256 20 0 GIADRO CCc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000045813275 822415873 /nfs/dbraw/zinc/41/58/73/822415873.db2.gz SNUYXAVQKCXZJW-JKSUJKDBSA-N 1 0 379.504 4.275 20 0 GIADRO C[C@H]([NH3+])C1CCN(C(=O)/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000178856048 822416595 /nfs/dbraw/zinc/41/65/95/822416595.db2.gz URSFBGGGLGOULU-VUDBWIFFSA-N 1 0 394.359 4.323 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1[nH]c(C)c(C(=O)OC(C)C)c1C)c1ccccc1 ZINC000045843478 822418628 /nfs/dbraw/zinc/41/86/28/822418628.db2.gz DCTUBTNBPOAJMZ-LJQANCHMSA-N 1 0 399.535 4.010 20 0 GIADRO Cc1ccc(CNC(=O)C2CC[NH+](Cc3cccc4cnccc43)CC2)cc1F ZINC000183059751 822418726 /nfs/dbraw/zinc/41/87/26/822418726.db2.gz FAGINLODJVOOOJ-UHFFFAOYSA-N 1 0 391.490 4.211 20 0 GIADRO CCCN(C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1)[C@@H]1CC[NH2+]C1 ZINC000178884832 822418958 /nfs/dbraw/zinc/41/89/58/822418958.db2.gz ZBXLJOYEORFDGV-GFCCVEGCSA-N 1 0 384.332 4.331 20 0 GIADRO CCCN(C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1)[C@H]1CC[NH2+]C1 ZINC000178885338 822419028 /nfs/dbraw/zinc/41/90/28/822419028.db2.gz CYKZZHFGZQTOCY-LBPRGKRZSA-N 1 0 384.332 4.331 20 0 GIADRO Cc1cc(Cl)c(NC(=O)C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)cc1C ZINC000453943826 822419867 /nfs/dbraw/zinc/41/98/67/822419867.db2.gz JKMPKQBXIXSYMM-IBGZPJMESA-N 1 0 385.895 4.083 20 0 GIADRO CCCN(C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)[C@@H]1CC[NH2+]C1 ZINC000178896846 822420095 /nfs/dbraw/zinc/42/00/95/822420095.db2.gz YIPDKYBTWGLMPX-CQSZACIVSA-N 1 0 396.318 4.182 20 0 GIADRO COC(=O)C[C@H]1CCCN1C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000178904459 822420512 /nfs/dbraw/zinc/42/05/12/822420512.db2.gz DXVPIFGPQRBQEQ-LJQANCHMSA-N 1 0 387.524 4.011 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)C(=O)Nc3cc(Cl)cc(Cl)c3)ccc21 ZINC000453976406 822420655 /nfs/dbraw/zinc/42/06/55/822420655.db2.gz IDTQPZUZFMJOCE-KRWDZBQOSA-N 1 0 392.286 4.120 20 0 GIADRO CC[C@@H](Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccc2c(c1)CCO2 ZINC000183072356 822420696 /nfs/dbraw/zinc/42/06/96/822420696.db2.gz TVOIESDMLVEVCW-HSZRJFAPSA-N 1 0 380.532 4.389 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc(N2CCC(C)=N2)cc1 ZINC000045876386 822421000 /nfs/dbraw/zinc/42/10/00/822421000.db2.gz DXMOZFBBRHBWSQ-UHFFFAOYSA-N 1 0 378.520 4.044 20 0 GIADRO C[C@@H](Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccc(-n2ccnc2)cc1 ZINC000183076638 822421387 /nfs/dbraw/zinc/42/13/87/822421387.db2.gz QFXHFJLYLLKUEP-LJQANCHMSA-N 1 0 390.531 4.250 20 0 GIADRO CCCN(C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)[C@@H]1CC[NH2+]C1 ZINC000178920850 822421887 /nfs/dbraw/zinc/42/18/87/822421887.db2.gz YJKIFQTWVJKRGD-CQSZACIVSA-N 1 0 398.359 4.260 20 0 GIADRO C[C@@H](Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccc(F)cc1N(C)C ZINC000183080816 822422033 /nfs/dbraw/zinc/42/20/33/822422033.db2.gz BHDDFNGONXLIML-QGZVFWFLSA-N 1 0 385.527 4.269 20 0 GIADRO CCCN(C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1)[C@H]1CC[NH2+]C1 ZINC000178923419 822422143 /nfs/dbraw/zinc/42/21/43/822422143.db2.gz JJJLFPLKIALUFI-AWEZNQCLSA-N 1 0 383.439 4.043 20 0 GIADRO C[C@@H](Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1cc(F)c(F)c(F)c1 ZINC000183081167 822422228 /nfs/dbraw/zinc/42/22/28/822422228.db2.gz UVYABIXTMMQXIA-CQSZACIVSA-N 1 0 378.438 4.481 20 0 GIADRO COc1cc(C)c([C@H](C)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)cc1OC ZINC000183082721 822422498 /nfs/dbraw/zinc/42/24/98/822422498.db2.gz NMXODVXHUXXINY-SFHVURJKSA-N 1 0 398.547 4.390 20 0 GIADRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)CC(C)(C)NC(=O)OC(C)(C)C)c2C1 ZINC000178943931 822423744 /nfs/dbraw/zinc/42/37/44/822423744.db2.gz BSWMFWIOIMCCBM-UHFFFAOYSA-N 1 0 389.540 4.290 20 0 GIADRO CC[C@@H](NC(=O)C(=O)Nc1cccc2c1C[N@@H+]([C@@H](C)C(C)C)C2)C1CCCC1 ZINC000454030637 822423776 /nfs/dbraw/zinc/42/37/76/822423776.db2.gz LXCIFKGJXLUYMY-OXJNMPFZSA-N 1 0 385.552 4.070 20 0 GIADRO Cc1cc(N(C)C)cc(C)c1NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000178954697 822424336 /nfs/dbraw/zinc/42/43/36/822424336.db2.gz XSYSOYZHRUMMEX-UHFFFAOYSA-N 1 0 394.563 4.403 20 0 GIADRO CC[NH+](CC)Cc1cc([C@@H](C)N[C@@H]2CCCn3nc(C(C)C)nc32)ccc1OC ZINC000183103013 822424641 /nfs/dbraw/zinc/42/46/41/822424641.db2.gz ZCBGWSQFPYVHLD-YLJYHZDGSA-N 1 0 399.583 4.438 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2cnc3ccc(F)cc3c2)CC1 ZINC000178982394 822426303 /nfs/dbraw/zinc/42/63/03/822426303.db2.gz XNVJXEXJMACADN-UHFFFAOYSA-N 1 0 377.463 4.077 20 0 GIADRO Cc1csc(C2([NH2+]C[C@@H](O)CO[C@H]3CCCc4ccccc43)CCCC2)n1 ZINC000178990357 822426935 /nfs/dbraw/zinc/42/69/35/822426935.db2.gz JSAPLRLRYPKNRJ-QUCCMNQESA-N 1 0 386.561 4.266 20 0 GIADRO O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@H+](Cc2cccc3cnccc32)C1 ZINC000183119745 822426957 /nfs/dbraw/zinc/42/69/57/822426957.db2.gz LSKPNODJRGBXKH-KRWDZBQOSA-N 1 0 380.879 4.134 20 0 GIADRO Cc1cccc([C@H](C)NC(=O)C(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000454084480 822427442 /nfs/dbraw/zinc/42/74/42/822427442.db2.gz IIMAABYLOGOFOT-OALUTQOASA-N 1 0 393.531 4.043 20 0 GIADRO CC(C)[C@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)NCC3(C4CCC4)CCC3)c2C1 ZINC000454088281 822428020 /nfs/dbraw/zinc/42/80/20/822428020.db2.gz NKQDXJJYHMUOOV-KRWDZBQOSA-N 1 0 397.563 4.072 20 0 GIADRO C[N@@H+]1CC[C@H](NC(=O)N[C@H](c2ccco2)c2ccccc2)[C@@H]1c1ccccc1 ZINC000179000341 822428433 /nfs/dbraw/zinc/42/84/33/822428433.db2.gz BNMJXLBXAFZJPA-BVSLBCMMSA-N 1 0 375.472 4.114 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)N(C)Cc2cccc(F)c2)cc1 ZINC000183136499 822429088 /nfs/dbraw/zinc/42/90/88/822429088.db2.gz DNOKEXODFQVWNI-IAGOWNOFSA-N 1 0 394.494 4.018 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000045979917 822429115 /nfs/dbraw/zinc/42/91/15/822429115.db2.gz ZIMRMHNIRGDDGL-KRWDZBQOSA-N 1 0 394.519 4.341 20 0 GIADRO CCc1nn(C)c(CC)c1C[NH2+]Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000179008213 822429264 /nfs/dbraw/zinc/42/92/64/822429264.db2.gz RKHGVKPEWNYULP-UHFFFAOYSA-N 1 0 393.531 4.422 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(F)cc2F)cc1 ZINC000183142871 822430230 /nfs/dbraw/zinc/43/02/30/822430230.db2.gz CGNHUODZRSNYCA-ZIAGYGMSSA-N 1 0 384.430 4.137 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)NC[C@@H](C)c2ccccc2)cc1 ZINC000183143830 822430525 /nfs/dbraw/zinc/43/05/25/822430525.db2.gz OWKUOJNHTKTTOS-CEXWTWQISA-N 1 0 390.531 4.140 20 0 GIADRO C[NH2+]C[C@@H]1CCN(C(=O)c2cc(Cl)ccc2Oc2cccc(Cl)c2)C1 ZINC000179020094 822430560 /nfs/dbraw/zinc/43/05/60/822430560.db2.gz MRWAIYHJCOMMOZ-ZDUSSCGKSA-N 1 0 379.287 4.467 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)Nc2ccc(NC(=O)C(C)C)cc2)c1 ZINC000045986343 822430589 /nfs/dbraw/zinc/43/05/89/822430589.db2.gz VVZYYKBJIPWJDJ-UHFFFAOYSA-N 1 0 396.535 4.445 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)NCc2cc(-c3ccccc3)no2)c1 ZINC000045986488 822430613 /nfs/dbraw/zinc/43/06/13/822430613.db2.gz VCWWVRHOIMMDQH-UHFFFAOYSA-N 1 0 392.503 4.183 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)Nc2ccc(NC(C)=O)c(C)c2)c1 ZINC000045986764 822430821 /nfs/dbraw/zinc/43/08/21/822430821.db2.gz REPYJQOLQXFWOJ-UHFFFAOYSA-N 1 0 382.508 4.117 20 0 GIADRO COCc1c(C(=O)NCC[C@H](C)[NH+]2CCCCC2)sc2cccc(F)c21 ZINC000183146089 822430954 /nfs/dbraw/zinc/43/09/54/822430954.db2.gz OERQUJYMTPABMU-AWEZNQCLSA-N 1 0 378.513 4.181 20 0 GIADRO C[NH2+]CC1CCN(C(=O)CCN2c3ccccc3Sc3ccccc32)CC1 ZINC000179030125 822431303 /nfs/dbraw/zinc/43/13/03/822431303.db2.gz FPOHARBTUUURRY-UHFFFAOYSA-N 1 0 381.545 4.137 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]Cc2cccc(C(=O)NCC(C)C)c2)cc1 ZINC000183149989 822431664 /nfs/dbraw/zinc/43/16/64/822431664.db2.gz XFYBXWSZDALPIV-GOSISDBHSA-N 1 0 390.531 4.417 20 0 GIADRO COc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(-n3ccnc3C)cc2)cc1Cl ZINC000183150254 822431702 /nfs/dbraw/zinc/43/17/02/822431702.db2.gz QOTGQRYUSLKUMI-CQSZACIVSA-N 1 0 398.894 4.132 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc3ncccc32)cc1 ZINC000183153000 822432123 /nfs/dbraw/zinc/43/21/23/822432123.db2.gz ALHSHBHMPGMYGH-IAGOWNOFSA-N 1 0 399.498 4.407 20 0 GIADRO CC(=O)c1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(-n3ccnc3C)cc2)cc1 ZINC000183152828 822432177 /nfs/dbraw/zinc/43/21/77/822432177.db2.gz ARYPWPNEIUXNAC-HZPDHXFCSA-N 1 0 390.487 4.061 20 0 GIADRO CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)Nc3ccc(C)cc3C)CC2)cc1 ZINC000454139057 822432686 /nfs/dbraw/zinc/43/26/86/822432686.db2.gz HDUZTKGCLSZRIG-UHFFFAOYSA-N 1 0 394.519 4.048 20 0 GIADRO CC(=O)c1ccc(NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)cc1C ZINC000179042317 822432776 /nfs/dbraw/zinc/43/27/76/822432776.db2.gz PUPSXABXCOCTAC-UHFFFAOYSA-N 1 0 379.504 4.026 20 0 GIADRO O=C1C[C@H](C[NH2+]Cc2ccc(-c3c(F)cccc3F)o2)CN1Cc1ccccc1 ZINC000179054002 822433920 /nfs/dbraw/zinc/43/39/20/822433920.db2.gz HGFTUFKCRWOJJK-QGZVFWFLSA-N 1 0 396.437 4.363 20 0 GIADRO CN(C(=O)c1c2c(nc3ccccc31)/C(=C\c1ccccc1)CC2)[C@@H]1CC[NH2+]C1 ZINC000179054853 822434077 /nfs/dbraw/zinc/43/40/77/822434077.db2.gz ACDZOAGYDDQOPZ-NZCCEVMUSA-N 1 0 383.495 4.156 20 0 GIADRO CC[C@@H]1c2ccsc2CCN1C(=O)C[NH2+][C@@H](C)c1ccccc1-n1cccn1 ZINC000183168327 822434721 /nfs/dbraw/zinc/43/47/21/822434721.db2.gz MHDDUHPVWMPXAU-QFBILLFUSA-N 1 0 394.544 4.120 20 0 GIADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1cnc2ccc(F)cc2c1 ZINC000179069375 822434913 /nfs/dbraw/zinc/43/49/13/822434913.db2.gz TYVOKFDBRVFFSV-UHFFFAOYSA-N 1 0 385.405 4.110 20 0 GIADRO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)[C@H](C)c1ccccc1 ZINC000183169853 822434937 /nfs/dbraw/zinc/43/49/37/822434937.db2.gz BZCYRAQSWITMFV-KNQAVFIVSA-N 1 0 388.515 4.381 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)CCc2c(C)nc3cc(C)nn3c2C)c1 ZINC000046016195 822435167 /nfs/dbraw/zinc/43/51/67/822435167.db2.gz BHIFVJMZGQDLKR-UHFFFAOYSA-N 1 0 393.535 4.068 20 0 GIADRO Cc1ccc(C)c(NC(=O)[C@@H](C)[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)c1 ZINC000183172328 822435538 /nfs/dbraw/zinc/43/55/38/822435538.db2.gz BOFFFMVZYFDGSV-OAHLLOKOSA-N 1 0 394.441 4.183 20 0 GIADRO C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1csc(-c2cccc(Br)c2)n1 ZINC000179085645 822436714 /nfs/dbraw/zinc/43/67/14/822436714.db2.gz FTIKTIJCIFIKLW-MLGOLLRUSA-N 1 0 381.339 4.308 20 0 GIADRO Cc1cc(N(C)C)ccc1NC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000046030742 822436898 /nfs/dbraw/zinc/43/68/98/822436898.db2.gz STDBTTRQLMLYCL-UHFFFAOYSA-N 1 0 380.536 4.369 20 0 GIADRO C[C@H]([NH2+]Cc1cnc(-c2ccccc2)[nH]1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000179090320 822437014 /nfs/dbraw/zinc/43/70/14/822437014.db2.gz GTWYQZCWFRZOSK-MBSDFSHPSA-N 1 0 391.515 4.492 20 0 GIADRO COCc1ccccc1NC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000046032450 822437091 /nfs/dbraw/zinc/43/70/91/822437091.db2.gz FDXXTHYVZJIKDX-HXUWFJFHSA-N 1 0 387.911 4.445 20 0 GIADRO CN(C)C(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000179092763 822437276 /nfs/dbraw/zinc/43/72/76/822437276.db2.gz DCNSJWFMLNQGBK-HOCLYGCPSA-N 1 0 397.466 4.171 20 0 GIADRO COCc1ccccc1NC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000046033105 822437382 /nfs/dbraw/zinc/43/73/82/822437382.db2.gz IXINJYRMTTZPBO-LJQANCHMSA-N 1 0 387.549 4.489 20 0 GIADRO O=C(c1csc(-c2cccc(Cl)c2)n1)N1CC[NH+](C2CCCC2)CC1 ZINC000046043655 822438003 /nfs/dbraw/zinc/43/80/03/822438003.db2.gz RSANEICAAZLBOF-UHFFFAOYSA-N 1 0 375.925 4.164 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](c1ccccc1Cl)N1CCOCC1)c1ccc(Cl)nc1 ZINC000179100030 822438159 /nfs/dbraw/zinc/43/81/59/822438159.db2.gz JOODDRFZXYZZJA-KDOFPFPSSA-N 1 0 380.319 4.113 20 0 GIADRO Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]Cc1ccc(Cn2cncn2)cc1 ZINC000179100320 822438207 /nfs/dbraw/zinc/43/82/07/822438207.db2.gz ANSKEXKDBROQGK-HXUWFJFHSA-N 1 0 382.895 4.292 20 0 GIADRO Cc1noc(C)c1C[N@H+](C)C[C@@H](O)CO[C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000046060706 822438441 /nfs/dbraw/zinc/43/84/41/822438441.db2.gz VVHLBFROWYQSBH-VWNXMTODSA-N 1 0 394.515 4.199 20 0 GIADRO Cc1noc(C)c1C[N@H+](C)C[C@H](O)CO[C@H](c1ccccc1)c1ccc(C)cc1 ZINC000046060708 822438523 /nfs/dbraw/zinc/43/85/23/822438523.db2.gz VVHLBFROWYQSBH-LADGPHEKSA-N 1 0 394.515 4.199 20 0 GIADRO CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]Cc1ccccc1CS(C)(=O)=O ZINC000179113762 822439772 /nfs/dbraw/zinc/43/97/72/822439772.db2.gz LWGJDHVDJDOGNG-NRFANRHFSA-N 1 0 387.545 4.358 20 0 GIADRO CCOc1ccc(C(=O)N2CCC([NH2+][C@H](C)c3ccc(Cl)nc3)CC2)cc1 ZINC000179114494 822439786 /nfs/dbraw/zinc/43/97/86/822439786.db2.gz MUJSRZIBGCRVTD-OAHLLOKOSA-N 1 0 387.911 4.089 20 0 GIADRO C[C@H](NC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)c1cc[nH]c(=O)c1 ZINC000454225664 822440861 /nfs/dbraw/zinc/44/08/61/822440861.db2.gz JKJFWVSRLZMQJB-INIZCTEOSA-N 1 0 382.508 4.434 20 0 GIADRO O=C(NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1)N1CC[C@H](F)C1 ZINC000454228416 822441040 /nfs/dbraw/zinc/44/10/40/822441040.db2.gz NMFYLAITEQTTDE-NRFANRHFSA-N 1 0 381.495 4.203 20 0 GIADRO CCc1nc(CN2CCC(C[NH2+][C@H](C)c3ccc(Cl)nc3)CC2)cs1 ZINC000179125019 822441102 /nfs/dbraw/zinc/44/11/02/822441102.db2.gz ILFSLQUGFPLLIK-CQSZACIVSA-N 1 0 378.973 4.317 20 0 GIADRO CC[NH+](CC)CCOc1ccc(CNC(=O)N(C)[C@@H](C)c2cccs2)cc1 ZINC000046104725 822441286 /nfs/dbraw/zinc/44/12/86/822441286.db2.gz QCMZWYFWTZZTIV-KRWDZBQOSA-N 1 0 389.565 4.371 20 0 GIADRO C[NH2+]C1CCN(C(=O)c2ccccc2-c2ncc(-c3ccc(C)cc3)o2)CC1 ZINC000179139327 822442125 /nfs/dbraw/zinc/44/21/25/822442125.db2.gz RWEQBIAOYZFYTB-UHFFFAOYSA-N 1 0 375.472 4.141 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccc(OCC(F)(F)F)cc1 ZINC000046143717 822443782 /nfs/dbraw/zinc/44/37/82/822443782.db2.gz JRISSCBEBFIYJW-KRWDZBQOSA-N 1 0 396.409 4.178 20 0 GIADRO OCC[N@@H+](Cc1cccc2cnccc21)Cc1cc(Br)ccc1F ZINC000183224441 822443919 /nfs/dbraw/zinc/44/39/19/822443919.db2.gz WLXZBVSAJNINIK-UHFFFAOYSA-N 1 0 389.268 4.131 20 0 GIADRO CC(C)c1ccccc1OCCC(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000179148927 822444012 /nfs/dbraw/zinc/44/40/12/822444012.db2.gz YJAOIWZOSFUNJU-UHFFFAOYSA-N 1 0 395.547 4.360 20 0 GIADRO C[N@H+](CCCCNC(=O)Nc1cc(Cl)ccc1N1CCCCC1)C1CC1 ZINC000454260444 822445300 /nfs/dbraw/zinc/44/53/00/822445300.db2.gz HUNMZEDLHQEKEO-UHFFFAOYSA-N 1 0 378.948 4.326 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cc(-c4cccnc4)on3)cc2)C1 ZINC000046155919 822445382 /nfs/dbraw/zinc/44/53/82/822445382.db2.gz RQLREWGQRPCTSZ-INIZCTEOSA-N 1 0 376.460 4.221 20 0 GIADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2ccccc2NC(=O)OCc2ccccc2)C1 ZINC000183234023 822445501 /nfs/dbraw/zinc/44/55/01/822445501.db2.gz QRGOCPSNNKMYTI-RBUKOAKNSA-N 1 0 395.503 4.038 20 0 GIADRO C[C@H]([NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1)c1cccc(CO)c1 ZINC000183237041 822446127 /nfs/dbraw/zinc/44/61/27/822446127.db2.gz KJQGTEREAQFCTI-RDJZCZTQSA-N 1 0 389.337 4.119 20 0 GIADRO CCCOc1ccccc1NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000454266213 822446487 /nfs/dbraw/zinc/44/64/87/822446487.db2.gz IUIRDMABFYNFCB-UHFFFAOYSA-N 1 0 387.446 4.356 20 0 GIADRO CCOc1ccc(NC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)cc1OC ZINC000179172007 822446869 /nfs/dbraw/zinc/44/68/69/822446869.db2.gz WAVMCKMTCFUFCE-UHFFFAOYSA-N 1 0 389.540 4.259 20 0 GIADRO C[C@@H](C[N@H+](C)Cc1cnn(-c2ccc(Br)cc2)c1)c1nccs1 ZINC000183249221 822448386 /nfs/dbraw/zinc/44/83/86/822448386.db2.gz ZPIGAGVKIGIDKZ-ZDUSSCGKSA-N 1 0 391.338 4.327 20 0 GIADRO CCc1noc(C)c1CNC(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000454276537 822448520 /nfs/dbraw/zinc/44/85/20/822448520.db2.gz USWDBTLZBDPSBD-IRXDYDNUSA-N 1 0 398.551 4.023 20 0 GIADRO O=C(c1cc(-c2ccccn2)ccc1Cl)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000179191364 822449117 /nfs/dbraw/zinc/44/91/17/822449117.db2.gz IBIAODITYHQDFD-VGOFRKELSA-N 1 0 395.934 4.491 20 0 GIADRO COc1cc(C[N@H+](C)C[C@H](C)c2nccs2)ccc1OCc1ccncc1 ZINC000183257747 822449288 /nfs/dbraw/zinc/44/92/88/822449288.db2.gz VBTKKGVEWYDPRV-INIZCTEOSA-N 1 0 383.517 4.361 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)N3CC(C)(C)[C@@H]4CCC[C@@H]43)c(C)c2)CC1 ZINC000454280303 822449687 /nfs/dbraw/zinc/44/96/87/822449687.db2.gz ZUZCWJMMDBLYGI-CTNGQTDRSA-N 1 0 384.568 4.179 20 0 GIADRO COc1cccc([C@@H]2[C@@H](NC(=O)[C@H](C)c3ccccc3F)CC[N@@H+]2C2CC2)c1 ZINC000183261495 822450086 /nfs/dbraw/zinc/45/00/86/822450086.db2.gz VMNOMBZXZOMQLD-KBJGYGKASA-N 1 0 382.479 4.032 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CC(c2cccc(Cl)c2)C1 ZINC000454284035 822450720 /nfs/dbraw/zinc/45/07/20/822450720.db2.gz YTSJOFXIZRWKJV-UHFFFAOYSA-N 1 0 398.938 4.032 20 0 GIADRO COc1cccc([C@@H]2[C@@H](NC(=O)c3c(C)[nH]c4ccccc43)CC[N@@H+]2C2CC2)c1 ZINC000183275057 822452043 /nfs/dbraw/zinc/45/20/43/822452043.db2.gz FLZJKAZJNSBJLJ-JTHBVZDNSA-N 1 0 389.499 4.193 20 0 GIADRO COc1cccc([C@H]2[C@@H](NC(=O)c3coc4ccccc34)CC[N@@H+]2C2CC2)c1 ZINC000183274477 822452119 /nfs/dbraw/zinc/45/21/19/822452119.db2.gz NHAYLUARZXQMCM-UNMCSNQZSA-N 1 0 376.456 4.149 20 0 GIADRO COc1cccc([C@@H]2[C@H](NC(=O)c3c(C)[nH]c4ccccc43)CC[N@@H+]2C2CC2)c1 ZINC000183275038 822452162 /nfs/dbraw/zinc/45/21/62/822452162.db2.gz FLZJKAZJNSBJLJ-FYYLOGMGSA-N 1 0 389.499 4.193 20 0 GIADRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)c1cnc2ccc(F)cc2c1 ZINC000179215225 822452589 /nfs/dbraw/zinc/45/25/89/822452589.db2.gz ADMAVBFYIKJDCN-UHFFFAOYSA-N 1 0 383.492 4.077 20 0 GIADRO CCSc1cccc(NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)c1 ZINC000179223820 822453587 /nfs/dbraw/zinc/45/35/87/822453587.db2.gz GJMZCVSJLRDSNW-UHFFFAOYSA-N 1 0 384.545 4.255 20 0 GIADRO CC1(C)CN(C(=O)Nc2cccnc2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000454297874 822453910 /nfs/dbraw/zinc/45/39/10/822453910.db2.gz OCUAQWWXSIFKGF-OAQYLSRUSA-N 1 0 378.520 4.236 20 0 GIADRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1cnc2ccc(F)cc2c1 ZINC000179232611 822454726 /nfs/dbraw/zinc/45/47/26/822454726.db2.gz RRMAPTYANXPOQD-UHFFFAOYSA-N 1 0 395.503 4.483 20 0 GIADRO C[C@@H](NCC[C@H](C)[N@H+](C)Cc1ccccc1)c1ncc(Br)s1 ZINC000179236636 822455479 /nfs/dbraw/zinc/45/54/79/822455479.db2.gz WWOZPSUZJFFYML-UONOGXRCSA-N 1 0 382.371 4.467 20 0 GIADRO O=C(OCc1nc(C(F)(F)F)cs1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000179238757 822456038 /nfs/dbraw/zinc/45/60/38/822456038.db2.gz OGESVEJIAOYZOX-AWEZNQCLSA-N 1 0 384.423 4.117 20 0 GIADRO COC(=O)COc1ccccc1[C@H](C)[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000183321167 822458716 /nfs/dbraw/zinc/45/87/16/822458716.db2.gz RZWULOGCTUQHGL-KGLIPLIRSA-N 1 0 379.403 4.252 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1)c1cccc(N2CCOC2=O)c1 ZINC000183335366 822460500 /nfs/dbraw/zinc/46/05/00/822460500.db2.gz OGZGRXNAAZYNQL-MAUKXSAKSA-N 1 0 385.895 4.226 20 0 GIADRO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@H]1CCCOCC1 ZINC000183339437 822461053 /nfs/dbraw/zinc/46/10/53/822461053.db2.gz TVKDFKMPTKGUQD-NEPJUHHUSA-N 1 0 378.822 4.235 20 0 GIADRO C[C@H](NC(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1cccc(F)c1F ZINC000179298720 822462643 /nfs/dbraw/zinc/46/26/43/822462643.db2.gz QZEQXJXZZMYRLY-INIZCTEOSA-N 1 0 387.474 4.032 20 0 GIADRO CCC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCO[C@@H](CC)C3)cc2Cl)CC1 ZINC000183356938 822463152 /nfs/dbraw/zinc/46/31/52/822463152.db2.gz JZFTUCJTZQKEFY-AEFFLSMTSA-N 1 0 393.959 4.016 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1cccc(OCc2cccnc2)c1)c1ccsc1 ZINC000046346183 822464392 /nfs/dbraw/zinc/46/43/92/822464392.db2.gz NQZZNMRWOMITAA-HXUWFJFHSA-N 1 0 396.516 4.147 20 0 GIADRO OCC[C@H](C[NH2+][C@H]1CCc2c1c(Br)ccc2F)c1ccccc1 ZINC000179318822 822465557 /nfs/dbraw/zinc/46/55/57/822465557.db2.gz IEPCRFHJEXBMEY-KDOFPFPSSA-N 1 0 378.285 4.331 20 0 GIADRO C[C@@H](CNC(=O)N(Cc1ccco1)Cc1cccs1)[N@@H+]1CCC[C@H](C)C1 ZINC000046368134 822466625 /nfs/dbraw/zinc/46/66/25/822466625.db2.gz YJCRGFJEYQQWGT-IRXDYDNUSA-N 1 0 375.538 4.173 20 0 GIADRO O[C@H](C[C@H]1CCC[N@@H+]1Cc1ccc(OCC(F)(F)F)c(F)c1)c1ccco1 ZINC000183392340 822467657 /nfs/dbraw/zinc/46/76/57/822467657.db2.gz HQSBIBFFEPPUDS-GDBMZVCRSA-N 1 0 387.373 4.448 20 0 GIADRO C[N@H+](CCCCNC(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1)C1CC1 ZINC000454395148 822468413 /nfs/dbraw/zinc/46/84/13/822468413.db2.gz SNIDKSGFIICWMQ-UHFFFAOYSA-N 1 0 395.507 4.327 20 0 GIADRO Cc1oc(-c2cccs2)nc1C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000046403658 822470321 /nfs/dbraw/zinc/47/03/21/822470321.db2.gz JOJIIPILUGASHX-UHFFFAOYSA-N 1 0 396.516 4.106 20 0 GIADRO C[N@@H+]1CCCN(c2ccc(NC(=O)CSc3ccccc3Cl)cc2)CC1 ZINC000046403641 822470343 /nfs/dbraw/zinc/47/03/43/822470343.db2.gz NACYWKGJJHZUAZ-UHFFFAOYSA-N 1 0 389.952 4.213 20 0 GIADRO Cc1ccc(-c2nc(C(=O)Nc3ccc(N4CCC[N@@H+](C)CC4)cc3)cs2)o1 ZINC000046403587 822470378 /nfs/dbraw/zinc/47/03/78/822470378.db2.gz BVEMPFXOWBZESH-UHFFFAOYSA-N 1 0 396.516 4.106 20 0 GIADRO C[N@@H+]1CCCN(c2ccc(NC(=O)c3cnc(-c4ccccc4)s3)cc2)CC1 ZINC000046403636 822470383 /nfs/dbraw/zinc/47/03/83/822470383.db2.gz ZTLNVFRSDIQDIX-UHFFFAOYSA-N 1 0 392.528 4.204 20 0 GIADRO C[N@@H+]1CCCN(c2ccc(NC(=O)CSc3ccc(Cl)cc3)cc2)CC1 ZINC000046403684 822470424 /nfs/dbraw/zinc/47/04/24/822470424.db2.gz NYKQRLVVYGUTEW-UHFFFAOYSA-N 1 0 389.952 4.213 20 0 GIADRO C[N@@H+]1CCCN(c2ccc(NC(=O)c3ccc(Cl)c4cccnc34)cc2)CC1 ZINC000046404532 822470688 /nfs/dbraw/zinc/47/06/88/822470688.db2.gz DYSUMHMRRWRXEK-UHFFFAOYSA-N 1 0 394.906 4.282 20 0 GIADRO Cc1c([C@H](C)[NH2+]CC(=O)Nc2ccc(Oc3cccc(Cl)c3)cc2)cnn1C ZINC000183421200 822471988 /nfs/dbraw/zinc/47/19/88/822471988.db2.gz LWZHOOKLTTYAPO-AWEZNQCLSA-N 1 0 398.894 4.464 20 0 GIADRO CC(C)c1cnc(C[NH2+]C[C@H](c2ccccc2Cl)N2CCOCC2)s1 ZINC000183424250 822472823 /nfs/dbraw/zinc/47/28/23/822472823.db2.gz OSQNNWFXLHZQNP-QGZVFWFLSA-N 1 0 379.957 4.083 20 0 GIADRO C[C@@H]([NH2+]Cc1cn(Cc2cccnc2)nn1)C(c1ccccc1)c1ccccc1 ZINC000183429427 822473812 /nfs/dbraw/zinc/47/38/12/822473812.db2.gz JFAYEGCKAQMLBT-LJQANCHMSA-N 1 0 383.499 4.032 20 0 GIADRO Cc1ccc(C[NH2+]C2CCN(C(=O)c3ccccc3)CC2)cc1Br ZINC000179393538 822476421 /nfs/dbraw/zinc/47/64/21/822476421.db2.gz YVADEMQRGFNLSC-UHFFFAOYSA-N 1 0 387.321 4.152 20 0 GIADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)C1 ZINC000183448799 822476559 /nfs/dbraw/zinc/47/65/59/822476559.db2.gz MWYWWTWWZZDVHV-BHIYHBOVSA-N 1 0 395.469 4.282 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)Cc1noc(C2CCCCC2)n1 ZINC000179395247 822476659 /nfs/dbraw/zinc/47/66/59/822476659.db2.gz BSQGGSWBIRGNSC-UHFFFAOYSA-N 1 0 383.540 4.251 20 0 GIADRO C[C@H](CCNC(=O)Nc1cccc(COCc2ccco2)c1)[NH+]1CCCCC1 ZINC000183449949 822476800 /nfs/dbraw/zinc/47/68/00/822476800.db2.gz GCBNHQZXDKCSLD-GOSISDBHSA-N 1 0 385.508 4.382 20 0 GIADRO CC(C)c1cnc(C[NH2+]C2CCN(c3ccc(C(F)(F)F)cn3)CC2)s1 ZINC000183459487 822478361 /nfs/dbraw/zinc/47/83/61/822478361.db2.gz DYRBOKMHMLDPNJ-UHFFFAOYSA-N 1 0 384.471 4.439 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2Oc2ccccc2)cnn1C ZINC000183462809 822478746 /nfs/dbraw/zinc/47/87/46/822478746.db2.gz AGVNIZRJJBPFOB-HOTGVXAUSA-N 1 0 378.476 4.199 20 0 GIADRO Cc1cc2ncc([C@@H](C)[NH2+]CCOc3ccc(C(F)(F)F)cc3)c(C)n2n1 ZINC000179412357 822479136 /nfs/dbraw/zinc/47/91/36/822479136.db2.gz YQIOIVUWRZAHPQ-CYBMUJFWSA-N 1 0 378.398 4.095 20 0 GIADRO CN(C)c1cc(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)c2ccccc2n1 ZINC000183467395 822479377 /nfs/dbraw/zinc/47/93/77/822479377.db2.gz LCIJIPQFNXCEPX-UHFFFAOYSA-N 1 0 394.563 4.029 20 0 GIADRO CCC[C@H]1C[C@H](C(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)CCO1 ZINC000183468527 822479597 /nfs/dbraw/zinc/47/95/97/822479597.db2.gz BGPGGLJQGCRPEF-IRLDBZIGSA-N 1 0 380.532 4.079 20 0 GIADRO COc1ccc(C[NH2+][C@H](C)c2cnc3cc(C)nn3c2C)c(C(F)(F)F)c1 ZINC000179420939 822479895 /nfs/dbraw/zinc/47/98/95/822479895.db2.gz NZMUMCBQKOLKOQ-GFCCVEGCSA-N 1 0 378.398 4.224 20 0 GIADRO CC(C)(C)Oc1c(F)cc(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1F ZINC000183473724 822480945 /nfs/dbraw/zinc/48/09/45/822480945.db2.gz KIDLNTBWFDWTCQ-OAHLLOKOSA-N 1 0 381.467 4.234 20 0 GIADRO C[C@](O)(C[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1)c1ccc(F)cc1F ZINC000183478694 822482107 /nfs/dbraw/zinc/48/21/07/822482107.db2.gz CANUQHDETKYNGJ-KRWDZBQOSA-N 1 0 393.327 4.042 20 0 GIADRO COCCn1ccc2ccc(NC(=O)NC3CC[NH+](CC4CCCC4)CC3)cc21 ZINC000179437603 822482674 /nfs/dbraw/zinc/48/26/74/822482674.db2.gz BOCUFPADYZMHHS-UHFFFAOYSA-N 1 0 398.551 4.064 20 0 GIADRO CCC(CC)(C[NH2+][C@@H](C)c1cnc2cc(C)nn2c1C)NC(=O)OC(C)(C)C ZINC000179439552 822483199 /nfs/dbraw/zinc/48/31/99/822483199.db2.gz WBPRBEIULGCTNC-HNNXBMFYSA-N 1 0 389.544 4.080 20 0 GIADRO COC(=O)c1ccc(OCC[NH2+][C@H](c2nc(C)cs2)C2CC2)c(Cl)c1 ZINC000183490504 822484603 /nfs/dbraw/zinc/48/46/03/822484603.db2.gz JSDZJYUBOORISA-INIZCTEOSA-N 1 0 380.897 4.011 20 0 GIADRO COC(=O)COc1ccccc1[C@@H](C)[NH2+][C@@H]1CCOc2c(Cl)cccc21 ZINC000183491533 822484813 /nfs/dbraw/zinc/48/48/13/822484813.db2.gz LXNFZGGIAGUZNO-CXAGYDPISA-N 1 0 375.852 4.066 20 0 GIADRO C[C@@H](NC(=O)Nc1ccc(F)cc1OC(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183499842 822486499 /nfs/dbraw/zinc/48/64/99/822486499.db2.gz GZTJDKBUBZGNFH-CHWSQXEVSA-N 1 0 385.430 4.202 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)N1C[C@@H](C)C[C@@H]1c1cccnc1 ZINC000183501490 822486780 /nfs/dbraw/zinc/48/67/80/822486780.db2.gz UEHWLNUDIGHTFG-GHTZIAJQSA-N 1 0 396.535 4.417 20 0 GIADRO CCC[C@H]([NH2+]CCC(=O)Nc1ccc(Br)cc1)c1ccccn1 ZINC000179468697 822487046 /nfs/dbraw/zinc/48/70/46/822487046.db2.gz KOLWSKKMLLDTPR-INIZCTEOSA-N 1 0 376.298 4.304 20 0 GIADRO CCc1nnc(-c2ccc(NC(=O)N[C@@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)cc2)o1 ZINC000183503776 822487171 /nfs/dbraw/zinc/48/71/71/822487171.db2.gz ISIDSHAXBJJHBB-RDJZCZTQSA-N 1 0 397.523 4.074 20 0 GIADRO Cc1ncsc1C(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000046572951 822487321 /nfs/dbraw/zinc/48/73/21/822487321.db2.gz HNCRAIUDVOOUSM-UHFFFAOYSA-N 1 0 392.528 4.026 20 0 GIADRO CCc1nc2ccccc2n1C1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000179470517 822487424 /nfs/dbraw/zinc/48/74/24/822487424.db2.gz AYJGIEHGFNYABY-UHFFFAOYSA-N 1 0 390.531 4.138 20 0 GIADRO COCCOc1ccc([C@@H](C)[NH2+]C[C@H](C)c2nc(-c3ccccc3)no2)cc1 ZINC000179478172 822488372 /nfs/dbraw/zinc/48/83/72/822488372.db2.gz GOGUNKKSMGBIGK-DLBZAZTESA-N 1 0 381.476 4.216 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)cc2)cc1NC(C)=O ZINC000183513922 822488560 /nfs/dbraw/zinc/48/85/60/822488560.db2.gz KEKSIPRBZCEGMZ-LTBCBRHQSA-N 1 0 388.895 4.488 20 0 GIADRO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]C[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000179485391 822489741 /nfs/dbraw/zinc/48/97/41/822489741.db2.gz QYEAICOTZYXSAC-UMGGQSCQSA-N 1 0 395.572 4.013 20 0 GIADRO CC[C@H]1C[N@H+](CC)CCN1C(=O)Nc1cccc(Cn2ccnc2C(C)C)c1 ZINC000454520490 822490536 /nfs/dbraw/zinc/49/05/36/822490536.db2.gz XLNVFXALCXUIFR-FQEVSTJZSA-N 1 0 383.540 4.003 20 0 GIADRO FC(F)(F)COc1ccccc1C[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179494739 822490676 /nfs/dbraw/zinc/49/06/76/822490676.db2.gz JDOIPRDUAKNSRH-OAHLLOKOSA-N 1 0 380.414 4.003 20 0 GIADRO Cc1cc2ncc([C@H](C)[NH2+][C@H]3CCN(C)[C@@H]3c3ccc(Cl)cc3)c(C)n2n1 ZINC000179494511 822490691 /nfs/dbraw/zinc/49/06/91/822490691.db2.gz ICMHZKBDMGVVOZ-ONTRVFCTSA-N 1 0 383.927 4.096 20 0 GIADRO Cc1csc([C@@H]([NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)C2CC2)n1 ZINC000183530843 822490758 /nfs/dbraw/zinc/49/07/58/822490758.db2.gz YTJXOHKAHYBQTF-DOMZBBRYSA-N 1 0 387.332 4.239 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1)c1ccc([S@@](C)=O)cc1 ZINC000179494447 822490786 /nfs/dbraw/zinc/49/07/86/822490786.db2.gz VTTCDUPQSLQAHU-VHJYLZSDSA-N 1 0 376.953 4.173 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(COc3ccccc3)cc2)C1 ZINC000179495763 822490891 /nfs/dbraw/zinc/49/08/91/822490891.db2.gz LROGPYPOJZBOLR-HXUWFJFHSA-N 1 0 381.520 4.461 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(COc3ccccc3)cc2)C1 ZINC000179495754 822491020 /nfs/dbraw/zinc/49/10/20/822491020.db2.gz LROGPYPOJZBOLR-FQEVSTJZSA-N 1 0 381.520 4.461 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCCN(c2ccccc2F)C1)c1ccc(N2CCOC2=O)cc1 ZINC000179499809 822492061 /nfs/dbraw/zinc/49/20/61/822492061.db2.gz RNJOKJKMDASLAA-AEFFLSMTSA-N 1 0 383.467 4.102 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccccc3F)C2)cc1NC(C)=O ZINC000179500210 822492090 /nfs/dbraw/zinc/49/20/90/822492090.db2.gz VCXJHRODLZGFKI-CRAIPNDOSA-N 1 0 385.483 4.112 20 0 GIADRO NC(=O)c1ccc(-c2nc(C[NH2+]C3(c4ccccc4)CCCC3)cs2)cc1 ZINC000183550158 822493638 /nfs/dbraw/zinc/49/36/38/822493638.db2.gz CFNGLPJWMOHTEJ-UHFFFAOYSA-N 1 0 377.513 4.468 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]C[C@@H](C)COc2ccccc2OC)cc1NC(C)=O ZINC000179512716 822493868 /nfs/dbraw/zinc/49/38/68/822493868.db2.gz YMDAVBUSHBPEPJ-HZPDHXFCSA-N 1 0 386.492 4.028 20 0 GIADRO Fc1ccc([C@@H]([NH2+]CCc2cc(F)cc3c2OCOC3)c2ccccc2)nc1 ZINC000183552667 822493881 /nfs/dbraw/zinc/49/38/81/822493881.db2.gz DWGYDQKPGXHDSC-NRFANRHFSA-N 1 0 382.410 4.148 20 0 GIADRO Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@H](C)Cn2ncc3ccccc3c2=O)c1 ZINC000179513743 822494188 /nfs/dbraw/zinc/49/41/88/822494188.db2.gz KXHFDBIVNAJMMR-CABCVRRESA-N 1 0 387.430 4.046 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)c1ccccc1O ZINC000183556151 822494406 /nfs/dbraw/zinc/49/44/06/822494406.db2.gz JNKCPHJYTFGPKK-WCQYABFASA-N 1 0 385.817 4.389 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N1CCC[C@]2(CCSC2)C1 ZINC000454545305 822494708 /nfs/dbraw/zinc/49/47/08/822494708.db2.gz DMFMGQNLZXROKK-QFIPXVFZSA-N 1 0 387.593 4.466 20 0 GIADRO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@H](C)c1nc(-c2ccccc2)cs1 ZINC000179516026 822494807 /nfs/dbraw/zinc/49/48/07/822494807.db2.gz PECHXQRKJFWJAV-HZPDHXFCSA-N 1 0 390.512 4.259 20 0 GIADRO C[C@@H]([NH2+]CC1(c2ccccc2Cl)CC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000179519242 822495837 /nfs/dbraw/zinc/49/58/37/822495837.db2.gz DSPFQPVJOPFZFC-CQSZACIVSA-N 1 0 378.925 4.094 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(SC(=O)N(C)C)cc1)c1cccc(-n2cccn2)c1 ZINC000183571276 822496258 /nfs/dbraw/zinc/49/62/58/822496258.db2.gz KAZHXMHHKKSWJN-INIZCTEOSA-N 1 0 380.517 4.497 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+][C@H]2CCN(c3ccc(Cl)c(F)c3)C2)c1 ZINC000179524555 822496717 /nfs/dbraw/zinc/49/67/17/822496717.db2.gz TYIWZKLXHLYZRN-GUYCJALGSA-N 1 0 375.875 4.367 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)c1 ZINC000179524529 822496804 /nfs/dbraw/zinc/49/68/04/822496804.db2.gz TYIWZKLXHLYZRN-SUMWQHHRSA-N 1 0 375.875 4.367 20 0 GIADRO CCCCC[N@H+](CCCOC)Cn1ccc(=O)c2cccc(Br)c21 ZINC000183577578 822496912 /nfs/dbraw/zinc/49/69/12/822496912.db2.gz MRJQMKNTRVSVJD-UHFFFAOYSA-N 1 0 395.341 4.250 20 0 GIADRO C[C@H](NC(=O)C[NH2+][C@@H](C)c1cccc(-n2cccn2)c1)c1ccc(Cl)cc1 ZINC000183585780 822497802 /nfs/dbraw/zinc/49/78/02/822497802.db2.gz RLMXQXIGAWAWGC-HOTGVXAUSA-N 1 0 382.895 4.054 20 0 GIADRO C[C@H]([NH2+]CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1)c1cccc(-n2cccn2)c1 ZINC000183588224 822498024 /nfs/dbraw/zinc/49/80/24/822498024.db2.gz IJOYHKDDAGCTJL-HOTGVXAUSA-N 1 0 398.457 4.021 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)c1ccccc1C(F)(F)F)c1cccc(-n2cccn2)c1 ZINC000183593006 822498620 /nfs/dbraw/zinc/49/86/20/822498620.db2.gz YSZDCGXRFFGTBH-IFXJQAMLSA-N 1 0 375.394 4.275 20 0 GIADRO Cc1nc(C(F)(F)F)c(CN(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000183593640 822498703 /nfs/dbraw/zinc/49/87/03/822498703.db2.gz FSERCWRMVXWOFF-MRXNPFEDSA-N 1 0 383.483 4.424 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1cccc(Cl)c1Cl)c1cccc(-n2cccn2)c1 ZINC000183600432 822499737 /nfs/dbraw/zinc/49/97/37/822499737.db2.gz SFPCFGAYSRSLTN-CYBMUJFWSA-N 1 0 389.286 4.468 20 0 GIADRO Cc1cc(Sc2ccccc2)ccc1NC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000454577947 822500015 /nfs/dbraw/zinc/50/00/15/822500015.db2.gz LZOKPWOXYZULOZ-SFHVURJKSA-N 1 0 399.560 4.115 20 0 GIADRO CCn1nc(C)c(NC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)c1C ZINC000179543386 822500335 /nfs/dbraw/zinc/50/03/35/822500335.db2.gz WOEWWJCVBSJYDA-MRXNPFEDSA-N 1 0 383.540 4.216 20 0 GIADRO Cc1cc(C)c(NC(=O)C[NH2+][C@H](C)c2cccc(-n3cccn3)c2)c(Cl)c1 ZINC000183607399 822500613 /nfs/dbraw/zinc/50/06/13/822500613.db2.gz KDFWYXCRUNORDR-MRXNPFEDSA-N 1 0 382.895 4.432 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1N[C@@H](c1ccccc1)c1ccc(F)cn1 ZINC000183611588 822501161 /nfs/dbraw/zinc/50/11/61/822501161.db2.gz WJDMONDGRNCIRB-OUOWLKGYSA-N 1 0 390.506 4.205 20 0 GIADRO C[C@@H](OCc1ccccc1)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000046670158 822501511 /nfs/dbraw/zinc/50/15/11/822501511.db2.gz PYLRYBSWSJVNJA-QGZVFWFLSA-N 1 0 386.923 4.026 20 0 GIADRO COc1ccc(OC)c(NC(=O)[C@H](C)[NH2+][C@H](C)c2oc3ccccc3c2C)c1 ZINC000183624717 822502765 /nfs/dbraw/zinc/50/27/65/822502765.db2.gz DDNQXRUIQQYDNV-CABCVRRESA-N 1 0 382.460 4.436 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)N[C@H](C)c2nc3ccccc3[nH]2)CC1 ZINC000183636145 822504536 /nfs/dbraw/zinc/50/45/36/822504536.db2.gz SDGPPYAHZOCWBY-QGZVFWFLSA-N 1 0 385.556 4.168 20 0 GIADRO Cc1nc(C(F)(F)F)c(C[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)s1 ZINC000183643028 822505435 /nfs/dbraw/zinc/50/54/35/822505435.db2.gz MSBHABYRFXABJC-JTQLQIEISA-N 1 0 385.411 4.278 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)Cc1cccc(F)c1)c1cccc(OC(F)F)c1 ZINC000179573188 822505629 /nfs/dbraw/zinc/50/56/29/822505629.db2.gz MXWGSNFUAUGFEI-KGLIPLIRSA-N 1 0 380.410 4.125 20 0 GIADRO C[C@H]([NH2+]CC(=O)N(C)[C@@H](C)c1ccc(F)cc1)c1cccc(OC(F)F)c1 ZINC000179576930 822506132 /nfs/dbraw/zinc/50/61/32/822506132.db2.gz CYOCEGHGSRQVMZ-KBPBESRZSA-N 1 0 380.410 4.297 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)N[C@@H]1CCO[C@@H](c2cccs2)C1)CC(C)C ZINC000454619855 822507769 /nfs/dbraw/zinc/50/77/69/822507769.db2.gz NTIWPNJHDIJSTH-KZNAEPCWSA-N 1 0 381.586 4.024 20 0 GIADRO C[C@@H](CCNC(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1)[NH+]1CCCCC1 ZINC000183663974 822507867 /nfs/dbraw/zinc/50/78/67/822507867.db2.gz RJLGRFZACHQYNT-INIZCTEOSA-N 1 0 390.528 4.420 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[NH2+]C(C)(C)c1cccc(C)c1 ZINC000179590131 822508193 /nfs/dbraw/zinc/50/81/93/822508193.db2.gz XHODHNRPFVNMHX-UHFFFAOYSA-N 1 0 376.504 4.261 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc(C)c2C)cc1 ZINC000183672277 822509015 /nfs/dbraw/zinc/50/90/15/822509015.db2.gz WBRPAPGVZCWKJS-ROUUACIJSA-N 1 0 376.504 4.475 20 0 GIADRO O=C(NC1CC[NH+](C2CCCC2)CC1)N[C@H]1CCCc2c(F)cc(F)cc21 ZINC000454629740 822509112 /nfs/dbraw/zinc/50/91/12/822509112.db2.gz YCTPRBNMJORPRZ-FQEVSTJZSA-N 1 0 377.479 4.048 20 0 GIADRO COc1cc(F)cc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)c1 ZINC000179596470 822509561 /nfs/dbraw/zinc/50/95/61/822509561.db2.gz UOORYELTXZARPM-OAHLLOKOSA-N 1 0 391.508 4.401 20 0 GIADRO Cc1ccc(-c2nc(C)c(C(=O)Nc3ccc(OCC[NH+](C)C)cc3)s2)o1 ZINC000046720844 822509559 /nfs/dbraw/zinc/50/95/59/822509559.db2.gz YSJVJEXGRCUQST-UHFFFAOYSA-N 1 0 385.489 4.213 20 0 GIADRO CCC[C@H](C[NH+]1CCN(CC(=O)Nc2c(C)cccc2C)CC1)c1ccccc1 ZINC000179597404 822509809 /nfs/dbraw/zinc/50/98/09/822509809.db2.gz AJWDFZVUHVOAGS-HSZRJFAPSA-N 1 0 393.575 4.443 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)c2ccccc2SC(F)(F)F)cc1 ZINC000046723045 822509826 /nfs/dbraw/zinc/50/98/26/822509826.db2.gz JNFKORCQNDBJQZ-UHFFFAOYSA-N 1 0 384.423 4.491 20 0 GIADRO CC(C)C[C@@H]([NH2+][C@H](C)c1cnn(Cc2ccccc2)c1)C(=O)Nc1nccs1 ZINC000179599463 822510092 /nfs/dbraw/zinc/51/00/92/822510092.db2.gz ULQOSZJIEHKGMC-VQIMIIECSA-N 1 0 397.548 4.092 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)[NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000183682878 822510671 /nfs/dbraw/zinc/51/06/71/822510671.db2.gz UAOIITRDYQSQDI-FUHWJXTLSA-N 1 0 384.524 4.088 20 0 GIADRO Cc1ccc(S(=O)(=O)CCC[NH2+][C@H](C)c2ccc(OC(F)F)cc2)cc1 ZINC000179603366 822510909 /nfs/dbraw/zinc/51/09/09/822510909.db2.gz QJUBQJYJWMWPPA-OAHLLOKOSA-N 1 0 383.460 4.111 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N1CCSc2ccccc21)c1ccc(OC(F)F)cc1 ZINC000179603874 822511134 /nfs/dbraw/zinc/51/11/34/822511134.db2.gz IBSAHPAKVBISHH-CYBMUJFWSA-N 1 0 378.444 4.078 20 0 GIADRO CC(C)C[NH+]1CCC(NC(=O)CCSc2ccccc2Br)CC1 ZINC000046745045 822512233 /nfs/dbraw/zinc/51/22/33/822512233.db2.gz XWMHCPXIVFQIAS-UHFFFAOYSA-N 1 0 399.398 4.168 20 0 GIADRO O=C(CCCc1ncc(-c2ccccc2)o1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000046747021 822512460 /nfs/dbraw/zinc/51/24/60/822512460.db2.gz SLOMQKCJKNLVPQ-NRFANRHFSA-N 1 0 389.499 4.055 20 0 GIADRO CC[C@H](C)[NH+]1CCN(C(=O)Nc2cccc(CSc3ccccn3)c2)CC1 ZINC000454652734 822512459 /nfs/dbraw/zinc/51/24/59/822512459.db2.gz BLWJGOFUPYJLNO-KRWDZBQOSA-N 1 0 384.549 4.322 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1ccc(OC(F)F)cc1)c1ccc(OC(F)F)cc1 ZINC000179611635 822512681 /nfs/dbraw/zinc/51/26/81/822512681.db2.gz HTPDTPXXWQKKOT-NSHDSACASA-N 1 0 386.345 4.179 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000046750700 822512930 /nfs/dbraw/zinc/51/29/30/822512930.db2.gz FBRZAJFVFRUASY-SFHVURJKSA-N 1 0 395.551 4.016 20 0 GIADRO C[N@H+](CCCCNC(=O)Nc1cccc(CSc2ccccn2)c1)C1CC1 ZINC000454657152 822513050 /nfs/dbraw/zinc/51/30/50/822513050.db2.gz FPXPZIYDSQTDFT-UHFFFAOYSA-N 1 0 384.549 4.370 20 0 GIADRO CC[NH+](CC)CCOc1cc(NC(=O)NCc2cc(C)cs2)ccc1OC ZINC000454659865 822513532 /nfs/dbraw/zinc/51/35/32/822513532.db2.gz VGUCRTCKOGWDOQ-UHFFFAOYSA-N 1 0 391.537 4.107 20 0 GIADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N(Cc2ccco2)Cc2ccco2)C1 ZINC000046763061 822514409 /nfs/dbraw/zinc/51/44/09/822514409.db2.gz PQVJRXRUCGFYCX-RTBURBONSA-N 1 0 387.524 4.343 20 0 GIADRO Cc1oc(-c2cccs2)nc1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000046765498 822514808 /nfs/dbraw/zinc/51/48/08/822514808.db2.gz RDTFGMWAFFEKBL-CQSZACIVSA-N 1 0 387.530 4.340 20 0 GIADRO COc1cccc(NC(=O)C[NH2+][C@@H](C)c2sc(-c3ccccc3)nc2C)c1 ZINC000183710700 822515123 /nfs/dbraw/zinc/51/51/23/822515123.db2.gz LLXDHNVEFPEGJA-AWEZNQCLSA-N 1 0 381.501 4.416 20 0 GIADRO O=S(=O)(CCC[NH2+]C1c2ccccc2-c2ccccc21)Cc1ccccc1 ZINC000183710786 822515136 /nfs/dbraw/zinc/51/51/36/822515136.db2.gz RLYXWWRQYAUFOI-UHFFFAOYSA-N 1 0 377.509 4.351 20 0 GIADRO COc1cc(C)c([C@@H](C)[NH2+]CC(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1OC ZINC000179627712 822515482 /nfs/dbraw/zinc/51/54/82/822515482.db2.gz XUNLYZXVZIPYTB-LSDHHAIUSA-N 1 0 390.911 4.194 20 0 GIADRO Fc1ccc([C@@H]([NH2+][C@@H]2CCN(c3ncccc3Cl)C2)c2ccccc2)nc1 ZINC000183713822 822515557 /nfs/dbraw/zinc/51/55/57/822515557.db2.gz NYKKNGVQZNNKEZ-XLIONFOSSA-N 1 0 382.870 4.227 20 0 GIADRO C[N@@H+](Cc1csc(-c2cccc(Br)c2)n1)CC1CCOCC1 ZINC000179629724 822516063 /nfs/dbraw/zinc/51/60/63/822516063.db2.gz ILAVPOONJKCINY-UHFFFAOYSA-N 1 0 381.339 4.431 20 0 GIADRO CCOc1cc(C[N@H+](C)[C@H](C)c2cccnc2)cc(Br)c1OC ZINC000183723147 822516860 /nfs/dbraw/zinc/51/68/60/822516860.db2.gz CDUPDMNLGOEOIM-CYBMUJFWSA-N 1 0 379.298 4.444 20 0 GIADRO COc1cc(C)c([C@@H](C)[NH2+]CC(=O)N(C)Cc2ccc(Cl)s2)cc1OC ZINC000179635140 822517027 /nfs/dbraw/zinc/51/70/27/822517027.db2.gz AZNLRRCIOJFLQF-CYBMUJFWSA-N 1 0 396.940 4.036 20 0 GIADRO CCCc1noc2nc(C3CC3)cc(C(=O)Nc3ccccc3C[NH+](C)C)c12 ZINC000046787852 822517401 /nfs/dbraw/zinc/51/74/01/822517401.db2.gz PUVVDHXWCADDRU-UHFFFAOYSA-N 1 0 378.476 4.367 20 0 GIADRO O=C(Nc1ccccc1)[C@H]1CCC[N@H+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000179639594 822517887 /nfs/dbraw/zinc/51/78/87/822517887.db2.gz DKPYPDJJAVWAJF-INIZCTEOSA-N 1 0 380.517 4.124 20 0 GIADRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCc1cncc(Br)c1 ZINC000183733707 822518462 /nfs/dbraw/zinc/51/84/62/822518462.db2.gz GPQKZLNQXHWDFR-HOTGVXAUSA-N 1 0 388.353 4.090 20 0 GIADRO C[C@H]1CCc2ccccc2[C@H]1NC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000179646570 822519094 /nfs/dbraw/zinc/51/90/94/822519094.db2.gz DBDATFYUTDAHQX-JTSKRJEESA-N 1 0 381.520 4.209 20 0 GIADRO Brc1cncc(CNc2ccc(OCC[NH+]3CCCCC3)cc2)c1 ZINC000183736408 822519186 /nfs/dbraw/zinc/51/91/86/822519186.db2.gz WWCXPCVZWJHNHI-UHFFFAOYSA-N 1 0 390.325 4.321 20 0 GIADRO Cn1cc(C[N@H+](C)Cc2ccc(F)cc2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000179646135 822519157 /nfs/dbraw/zinc/51/91/57/822519157.db2.gz FTJPXALTZJZKHL-UHFFFAOYSA-N 1 0 381.451 4.020 20 0 GIADRO CC(=O)Nc1cc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)ccc1C ZINC000046810092 822519964 /nfs/dbraw/zinc/51/99/64/822519964.db2.gz STVGZCVVAGEQQT-FQEVSTJZSA-N 1 0 399.560 4.218 20 0 GIADRO COc1ccc([C@@H](C[NH2+][C@@H](c2ccco2)c2ccccc2)N(C)C)cc1OC ZINC000183740057 822520119 /nfs/dbraw/zinc/52/01/19/822520119.db2.gz NFRNIWALVUHPMR-AUSIDOKSSA-N 1 0 380.488 4.279 20 0 GIADRO COc1ccc([C@H](C[NH2+][C@@H](c2ccco2)c2ccccc2)N(C)C)cc1OC ZINC000183740037 822520212 /nfs/dbraw/zinc/52/02/12/822520212.db2.gz NFRNIWALVUHPMR-WMZHIEFXSA-N 1 0 380.488 4.279 20 0 GIADRO CC(C)OC(=O)c1ccc(Cl)c(NC(=O)NC2CC[NH+](C3CCC3)CC2)c1 ZINC000454704069 822520492 /nfs/dbraw/zinc/52/04/92/822520492.db2.gz VKSGTWKZIJVOCB-UHFFFAOYSA-N 1 0 393.915 4.044 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000183745027 822521035 /nfs/dbraw/zinc/52/10/35/822521035.db2.gz XMAHVXMREHQIQZ-UGSOOPFHSA-N 1 0 383.473 4.411 20 0 GIADRO Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc2c(c1)NC(=O)CO2 ZINC000046819633 822521139 /nfs/dbraw/zinc/52/11/39/822521139.db2.gz RGOFDQPJKPKZJN-HZPDHXFCSA-N 1 0 395.503 4.127 20 0 GIADRO COCc1ccc(C[NH2+]Cc2ccc(OCc3c(C)noc3C)c(OC)c2)cc1 ZINC000046837541 822522709 /nfs/dbraw/zinc/52/27/09/822522709.db2.gz HVDPBMGWCJPPGU-UHFFFAOYSA-N 1 0 396.487 4.315 20 0 GIADRO COC(=O)COc1ccccc1[C@@H](C)[NH2+]Cc1ccc(Br)cc1C ZINC000183756000 822523043 /nfs/dbraw/zinc/52/30/43/822523043.db2.gz MJWBTQDMTAARHY-CQSZACIVSA-N 1 0 392.293 4.160 20 0 GIADRO COc1ccc(C(=O)Nc2cccc(C[N@H+](C)CCc3ccncc3)c2)cc1 ZINC000183757751 822523256 /nfs/dbraw/zinc/52/32/56/822523256.db2.gz GSMKVFYHHLHTBJ-UHFFFAOYSA-N 1 0 375.472 4.017 20 0 GIADRO CC(C)Oc1ccc(NC(=O)NCCCC[N@H+](C)C2CC2)c(C(F)(F)F)c1 ZINC000454722656 822523528 /nfs/dbraw/zinc/52/35/28/822523528.db2.gz ADCUWKLKILUHNB-UHFFFAOYSA-N 1 0 387.446 4.489 20 0 GIADRO C[C@@H]([NH2+]CCOc1cccc(S(C)(=O)=O)c1)c1cccc(Cl)c1Cl ZINC000183763749 822524766 /nfs/dbraw/zinc/52/47/66/822524766.db2.gz ZCMJHJZUWDJQAC-GFCCVEGCSA-N 1 0 388.316 4.127 20 0 GIADRO COc1cccc([C@H]2[C@@H](NC(=O)Nc3cc(F)ccc3F)CC[N@@H+]2C2CC2)c1 ZINC000183767895 822525474 /nfs/dbraw/zinc/52/54/74/822525474.db2.gz LQUJTLFTKURFEH-ICSRJNTNSA-N 1 0 387.430 4.073 20 0 GIADRO COc1ccc(C[N@H+](C)Cc2cn(C)nc2-c2cccs2)cc1OC(F)F ZINC000179680460 822525852 /nfs/dbraw/zinc/52/58/52/822525852.db2.gz ZUHCQBXEAAWPCA-UHFFFAOYSA-N 1 0 393.459 4.391 20 0 GIADRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000179681770 822526361 /nfs/dbraw/zinc/52/63/61/822526361.db2.gz STYBFPXFKXQTKU-FUHWJXTLSA-N 1 0 384.524 4.202 20 0 GIADRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000179681781 822526373 /nfs/dbraw/zinc/52/63/73/822526373.db2.gz STYBFPXFKXQTKU-SJLPKXTDSA-N 1 0 384.524 4.202 20 0 GIADRO CCOCc1cc(CNc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)ccc1OC ZINC000183774150 822526431 /nfs/dbraw/zinc/52/64/31/822526431.db2.gz SPIOKNUKYMGWPP-UHFFFAOYSA-N 1 0 399.535 4.042 20 0 GIADRO COc1cccc(Cl)c1CNc1ccc(C)c(NC(=O)CC[NH+](C)C)c1 ZINC000183775409 822526796 /nfs/dbraw/zinc/52/67/96/822526796.db2.gz OJYOYLYGUQMAPQ-UHFFFAOYSA-N 1 0 375.900 4.159 20 0 GIADRO Cc1ccc(NCc2c(C3CC3)nc3sccn23)cc1NC(=O)CC[NH+](C)C ZINC000183780984 822527542 /nfs/dbraw/zinc/52/75/42/822527542.db2.gz RMJMJMTWXAACKA-UHFFFAOYSA-N 1 0 397.548 4.084 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1scnc1C1CCCC1 ZINC000183782403 822527606 /nfs/dbraw/zinc/52/76/06/822527606.db2.gz DDKACHONEXADDW-UHFFFAOYSA-N 1 0 384.549 4.113 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1cc(F)ccc1F)c1cccc(OCc2ccccn2)c1 ZINC000179688911 822528051 /nfs/dbraw/zinc/52/80/51/822528051.db2.gz MVQYXIJUTKZKSN-HNNXBMFYSA-N 1 0 397.425 4.228 20 0 GIADRO COc1ccccc1OCC[NH2+][C@@H](C)c1cccc(OCc2ccccn2)c1 ZINC000179693158 822528725 /nfs/dbraw/zinc/52/87/25/822528725.db2.gz UTZCRQXQGKBSKM-SFHVURJKSA-N 1 0 378.472 4.399 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N[C@@H](C)c1cccs1)c1cccc(OCc2ccccn2)c1 ZINC000179694297 822528832 /nfs/dbraw/zinc/52/88/32/822528832.db2.gz POYGOKAIGCJZLF-SJORKVTESA-N 1 0 395.528 4.250 20 0 GIADRO Cc1cc2c(cc1NC(=O)N(C)[C@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)OCO2 ZINC000183799209 822529568 /nfs/dbraw/zinc/52/95/68/822529568.db2.gz WCPIFJMFOYCROI-MJGOQNOKSA-N 1 0 395.503 4.241 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)NCc2ccc(OC(F)F)c(OC)c2)cc1 ZINC000046912695 822530111 /nfs/dbraw/zinc/53/01/11/822530111.db2.gz WJZOASNUGNHZOS-UHFFFAOYSA-N 1 0 392.446 4.068 20 0 GIADRO CSCC1CCC(NC(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000454767513 822530408 /nfs/dbraw/zinc/53/04/08/822530408.db2.gz KYOFABWTAHVJMQ-PPXMBRMGSA-N 1 0 389.609 4.118 20 0 GIADRO CC(C)(NC(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1)C1CCC1 ZINC000454771244 822530772 /nfs/dbraw/zinc/53/07/72/822530772.db2.gz UYIKJLZOKJBBIG-UHFFFAOYSA-N 1 0 386.540 4.201 20 0 GIADRO C[C@H](NC(=O)N1CC[C@H](C(F)(F)F)C[C@@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000454777951 822532219 /nfs/dbraw/zinc/53/22/19/822532219.db2.gz VEJCZFUGIBWNNP-DKKFBQAASA-N 1 0 397.485 4.269 20 0 GIADRO CC(C)(C)C(=O)N1CCC([NH2+]Cc2cc3cc(Br)ccc3[nH]2)CC1 ZINC000183823032 822532312 /nfs/dbraw/zinc/53/23/12/822532312.db2.gz XMIMLBLKZRYSPD-UHFFFAOYSA-N 1 0 392.341 4.057 20 0 GIADRO CCOc1cccc(C[NH2+]Cc2cc3cc(Br)ccc3[nH]2)c1O ZINC000183825721 822532822 /nfs/dbraw/zinc/53/28/22/822532822.db2.gz VSQXSFAYBPAYAM-UHFFFAOYSA-N 1 0 375.266 4.325 20 0 GIADRO CC(C)c1ccc(-c2noc(CCC(=O)NC[C@H](C)[N@@H+]3CCC[C@H](C)C3)n2)cc1 ZINC000046952583 822533673 /nfs/dbraw/zinc/53/36/73/822533673.db2.gz NEJIZNRHOARSOB-ROUUACIJSA-N 1 0 398.551 4.029 20 0 GIADRO CNC(=O)C(C)(C)C[NH2+][C@@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC000183839206 822534366 /nfs/dbraw/zinc/53/43/66/822534366.db2.gz KPPLACUWIJFNOH-QGZVFWFLSA-N 1 0 393.300 4.039 20 0 GIADRO CC[C@H]([NH2+][C@H](C)C(=O)NCc1cccc(OC)c1)c1ccccc1OC(F)F ZINC000179718076 822534324 /nfs/dbraw/zinc/53/43/24/822534324.db2.gz PQJOZXIYMZPIQO-KDOFPFPSSA-N 1 0 392.446 4.042 20 0 GIADRO CC[C@H]([NH2+][C@H](C)C(=O)NCCc1cccs1)c1ccccc1OC(F)F ZINC000179717825 822534381 /nfs/dbraw/zinc/53/43/81/822534381.db2.gz IMIGHAWKLRDBJM-CJNGLKHVSA-N 1 0 382.476 4.138 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1cc(=O)c2ccccc2o1 ZINC000046980579 822534842 /nfs/dbraw/zinc/53/48/42/822534842.db2.gz CLSNHYBHGHTSPC-KRWDZBQOSA-N 1 0 390.483 4.097 20 0 GIADRO CCOc1ccccc1NC(=O)C[NH2+][C@H](CC)c1ccccc1OC(F)F ZINC000179721223 822534976 /nfs/dbraw/zinc/53/49/76/822534976.db2.gz QMIXIQSELDUKFM-OAHLLOKOSA-N 1 0 378.419 4.366 20 0 GIADRO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3cccc(CSCc4ccccc4)c3)C[C@@H]21 ZINC000454792330 822535099 /nfs/dbraw/zinc/53/50/99/822535099.db2.gz IJHAEOXDHXLAOW-CTNGQTDRSA-N 1 0 381.545 4.288 20 0 GIADRO O=C(Nc1cccc(Cl)n1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000183848595 822535403 /nfs/dbraw/zinc/53/54/03/822535403.db2.gz VPWZUPHLSDILJM-UHFFFAOYSA-N 1 0 379.291 4.175 20 0 GIADRO CC[C@@H]([NH2+]C[C@@H]1CN(c2ccccc2)C(=O)O1)c1ccccc1OC(F)F ZINC000179725089 822535741 /nfs/dbraw/zinc/53/57/41/822535741.db2.gz VEIZOCRYUUMUPY-NVXWUHKLSA-N 1 0 376.403 4.354 20 0 GIADRO COCc1c(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)sc2cccc(F)c21 ZINC000046991392 822536274 /nfs/dbraw/zinc/53/62/74/822536274.db2.gz JVLDUEFPGNFTTF-HNNXBMFYSA-N 1 0 392.540 4.429 20 0 GIADRO CCc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179729014 822536655 /nfs/dbraw/zinc/53/66/55/822536655.db2.gz UFXMOHNBOKTKSG-OYHNWAKOSA-N 1 0 380.488 4.088 20 0 GIADRO C[C@@H](NC(=O)C[NH2+][C@@H](CCCO)c1ccccc1)c1ccc2ccccc2c1 ZINC000179738316 822539438 /nfs/dbraw/zinc/53/94/38/822539438.db2.gz BMIDYTYBPOORSH-JPYJTQIMSA-N 1 0 376.500 4.120 20 0 GIADRO CSc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179740090 822540070 /nfs/dbraw/zinc/54/00/70/822540070.db2.gz RLJSTLLWDGYLMD-LHSJRXKWSA-N 1 0 398.528 4.248 20 0 GIADRO CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000179740988 822540315 /nfs/dbraw/zinc/54/03/15/822540315.db2.gz WVOVQRXTHYSVST-GOSISDBHSA-N 1 0 397.519 4.007 20 0 GIADRO O=C(C[NH2+][C@@H](CCCO)c1ccccc1)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000179741249 822540534 /nfs/dbraw/zinc/54/05/34/822540534.db2.gz MRALJKAOEASLOQ-LADGPHEKSA-N 1 0 398.522 4.277 20 0 GIADRO CCn1c(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)nc2c1cccc2F ZINC000179741455 822540555 /nfs/dbraw/zinc/54/05/55/822540555.db2.gz CTAHQGSQCRXAAO-OAQYLSRUSA-N 1 0 381.451 4.207 20 0 GIADRO Cc1cc2oc(=O)cc(C[NH2+][C@H](c3ccc4c(c3)OCCO4)C3CC3)c2cc1C ZINC000179742300 822540764 /nfs/dbraw/zinc/54/07/64/822540764.db2.gz YDGLTTHCARAOKS-DEOSSOPVSA-N 1 0 391.467 4.422 20 0 GIADRO C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000179743158 822541023 /nfs/dbraw/zinc/54/10/23/822541023.db2.gz YTGOTYRVIFESGI-HTAPYJJXSA-N 1 0 396.510 4.230 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N1CCCCC[C@H]1c1ccco1 ZINC000179743510 822541170 /nfs/dbraw/zinc/54/11/70/822541170.db2.gz BYECAHITEVUPKQ-FQEVSTJZSA-N 1 0 382.508 4.218 20 0 GIADRO CCc1cccc(C)c1NC(=O)C[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179744596 822541477 /nfs/dbraw/zinc/54/14/77/822541477.db2.gz PWDOWHQHRQERAR-HSZRJFAPSA-N 1 0 380.488 4.008 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N1CCC[C@H](c2ccccc2)CC1 ZINC000179749459 822542261 /nfs/dbraw/zinc/54/22/61/822542261.db2.gz YXEUIFYEZYNAOK-QFIPXVFZSA-N 1 0 392.547 4.277 20 0 GIADRO O=C(C1CC[NH+](Cc2c(F)cccc2N2CCCC2)CC1)N1CCCCCC1 ZINC000179753951 822543547 /nfs/dbraw/zinc/54/35/47/822543547.db2.gz YEGPBKYMAKFHJL-UHFFFAOYSA-N 1 0 387.543 4.041 20 0 GIADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cccc(C(F)F)c1 ZINC000179753891 822543614 /nfs/dbraw/zinc/54/36/14/822543614.db2.gz ZMEBVLBJQGMACF-LJQANCHMSA-N 1 0 388.458 4.457 20 0 GIADRO O=C(C[NH2+][C@H](CCCO)c1ccccc1)N[C@@H](c1ccccc1)C1CCCC1 ZINC000179756129 822544068 /nfs/dbraw/zinc/54/40/68/822544068.db2.gz GURWFWRTLWXNKP-VWNXMTODSA-N 1 0 380.532 4.138 20 0 GIADRO Cc1ccc(NC(=O)N2CC[C@H](C(F)(F)F)C[C@H]2C)c(OCC[NH+](C)C)c1 ZINC000454841831 822544329 /nfs/dbraw/zinc/54/43/29/822544329.db2.gz RDQYQMLYDKPJGA-CABCVRRESA-N 1 0 387.446 4.130 20 0 GIADRO Cc1cc(C)c(NC(=O)C[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)c(C)c1 ZINC000179759731 822544952 /nfs/dbraw/zinc/54/49/52/822544952.db2.gz OJXRGZKFLWIZKS-KRWDZBQOSA-N 1 0 379.504 4.250 20 0 GIADRO C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179760618 822545158 /nfs/dbraw/zinc/54/51/58/822545158.db2.gz RLVSSFMOMVLKOP-XLIONFOSSA-N 1 0 396.510 4.025 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)N[C@H](c2nc(C)cs2)C2CC2)CC1 ZINC000183913984 822545339 /nfs/dbraw/zinc/54/53/39/822545339.db2.gz AENNHRDYPRMZEM-IBGZPJMESA-N 1 0 392.613 4.446 20 0 GIADRO Cc1nc(CSc2ccc(C(=O)NCC[NH+]3CCC(C)CC3)cc2)cs1 ZINC000047119932 822545731 /nfs/dbraw/zinc/54/57/31/822545731.db2.gz PMEGJCHRPGIMOB-UHFFFAOYSA-N 1 0 389.590 4.206 20 0 GIADRO CCSCc1cccc(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)c1 ZINC000454851073 822545765 /nfs/dbraw/zinc/54/57/65/822545765.db2.gz HJIGLPVLYZXZSM-YOFSQIOKSA-N 1 0 391.581 4.045 20 0 GIADRO COc1ccc([C@H](C)C[NH+]2CCC(C(=O)Nc3ccccc3OC)CC2)cc1 ZINC000179762718 822546402 /nfs/dbraw/zinc/54/64/02/822546402.db2.gz ICPBWIHNDWVDBE-QGZVFWFLSA-N 1 0 382.504 4.158 20 0 GIADRO C[C@@H](C[N@H+](C)Cc1cc2c(cc1Br)OCCCO2)c1nccs1 ZINC000183929966 822548974 /nfs/dbraw/zinc/54/89/74/822548974.db2.gz HIYKRMAZTPLPTB-LBPRGKRZSA-N 1 0 397.338 4.302 20 0 GIADRO CC(C)n1ncc2cc(CN3CCC[N@@H+](C4CCCC4)CC3)c(Cl)nc21 ZINC000179769240 822549029 /nfs/dbraw/zinc/54/90/29/822549029.db2.gz JUQVETPMWMOXEK-UHFFFAOYSA-N 1 0 375.948 4.116 20 0 GIADRO CC1(C)CN(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)[C@H]2CCC[C@@H]21 ZINC000454876886 822549947 /nfs/dbraw/zinc/54/99/47/822549947.db2.gz UGFKGLCAUBYICH-GQGLESIBSA-N 1 0 387.490 4.012 20 0 GIADRO CCN(C)c1ccc([C@@H](C)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)cc1 ZINC000179774201 822550026 /nfs/dbraw/zinc/55/00/26/822550026.db2.gz MRVYNQCQHKPNGA-GOSISDBHSA-N 1 0 394.563 4.013 20 0 GIADRO CN(C(=O)Nc1ncc(C(C)(C)C)s1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000454879915 822550095 /nfs/dbraw/zinc/55/00/95/822550095.db2.gz ZWXNOXLQWLPTTR-UHFFFAOYSA-N 1 0 392.491 4.321 20 0 GIADRO COC(=O)c1cc2cc(C[NH2+][C@@H](C)c3ccc(NC(=O)C4CC4)cc3)ccc2o1 ZINC000179774927 822550259 /nfs/dbraw/zinc/55/02/59/822550259.db2.gz GTWDFTWEZSCINS-AWEZNQCLSA-N 1 0 392.455 4.419 20 0 GIADRO CC[C@@H](Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)c1cc(C)ccc1OC ZINC000179776204 822550634 /nfs/dbraw/zinc/55/06/34/822550634.db2.gz OIGYQYXRBQHWBU-JOCHJYFZSA-N 1 0 395.547 4.264 20 0 GIADRO CCOCc1ccc(NC(=O)NC[C@H](c2ccc(SC)cc2)[NH+](C)C)cc1 ZINC000454887197 822551287 /nfs/dbraw/zinc/55/12/87/822551287.db2.gz NMGIBCMULBPDEZ-HXUWFJFHSA-N 1 0 387.549 4.369 20 0 GIADRO Cc1cc(Br)ccc1C[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000179781085 822551733 /nfs/dbraw/zinc/55/17/33/822551733.db2.gz GHAPFJRRMSJLOB-INIZCTEOSA-N 1 0 385.309 4.180 20 0 GIADRO CCOCc1cc(C[N@H+](C)C2CCN(C(=O)OC(C)(C)C)CC2)ccc1OC ZINC000179784851 822552339 /nfs/dbraw/zinc/55/23/39/822552339.db2.gz ZZMIEWUQAMTIGP-UHFFFAOYSA-N 1 0 392.540 4.063 20 0 GIADRO CC1CC[NH+](CCCCNC(=O)c2ccc(NC(=O)c3cccs3)cc2)CC1 ZINC000047198917 822553720 /nfs/dbraw/zinc/55/37/20/822553720.db2.gz NCCYWTXPYUOQRF-UHFFFAOYSA-N 1 0 399.560 4.242 20 0 GIADRO CCSc1cccc(NC(=O)N2CCC(CCC[N@H+](C)CCOC)CC2)c1 ZINC000179798016 822554778 /nfs/dbraw/zinc/55/47/78/822554778.db2.gz YBJMDSILGSJDOP-UHFFFAOYSA-N 1 0 393.597 4.401 20 0 GIADRO C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000183986826 822558493 /nfs/dbraw/zinc/55/84/93/822558493.db2.gz QQNZAKSNTWSMDH-JPYJTQIMSA-N 1 0 392.547 4.059 20 0 GIADRO O=C(Nc1ccc(-n2ncc3ccccc32)cc1)NC1CC[NH+](CC2CC2)CC1 ZINC000183987802 822558678 /nfs/dbraw/zinc/55/86/78/822558678.db2.gz HRTISTMWZMHGBB-UHFFFAOYSA-N 1 0 389.503 4.021 20 0 GIADRO C[C@@H](NC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C1CC1 ZINC000454932217 822559222 /nfs/dbraw/zinc/55/92/22/822559222.db2.gz WPKHORCDLXIIIO-IOHIJNGWSA-N 1 0 375.944 4.352 20 0 GIADRO COc1ccc(Cl)cc1C[NH+]1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000047262370 822559861 /nfs/dbraw/zinc/55/98/61/822559861.db2.gz ZUYVWDCAABPYAA-UHFFFAOYSA-N 1 0 394.302 4.248 20 0 GIADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCC[C@@H]1CCCCO1 ZINC000184000975 822561389 /nfs/dbraw/zinc/56/13/89/822561389.db2.gz SXJROBOBGOZEBB-YOEHRIQHSA-N 1 0 383.330 4.105 20 0 GIADRO CSc1ncc(Cl)c(C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)n1 ZINC000047283506 822561948 /nfs/dbraw/zinc/56/19/48/822561948.db2.gz JSTUTUNWXYPENQ-CYBMUJFWSA-N 1 0 390.940 4.336 20 0 GIADRO Cc1nc(COc2ccc(NC3CC[NH+]([C@H]4CCC[C@H](C)C4)CC3)cc2)no1 ZINC000179832293 822562215 /nfs/dbraw/zinc/56/22/15/822562215.db2.gz RKFKQXLVBFSNCK-JXFKEZNVSA-N 1 0 384.524 4.412 20 0 GIADRO C[C@H](NC(=O)NCCCC[N@H+](C)C1CC1)c1ccc(Oc2cccnc2)cc1 ZINC000454951591 822562369 /nfs/dbraw/zinc/56/23/69/822562369.db2.gz AYQRTATYKXEMSU-KRWDZBQOSA-N 1 0 382.508 4.109 20 0 GIADRO Cc1nc(COc2ccc(N[C@@H](C)c3ccc(OCC[NH+](C)C)cc3)cc2)no1 ZINC000179834916 822562874 /nfs/dbraw/zinc/56/28/74/822562874.db2.gz OBSIREKJXBUURH-INIZCTEOSA-N 1 0 396.491 4.071 20 0 GIADRO CCCOc1c(Br)cc(CN2CCC([NH2+]C(C)C)CC2)cc1OC ZINC000179836892 822563285 /nfs/dbraw/zinc/56/32/85/822563285.db2.gz FUWRVZJYDRMMFM-UHFFFAOYSA-N 1 0 399.373 4.209 20 0 GIADRO CN(Cc1ccccc1N1CCCC1)C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000047303563 822563668 /nfs/dbraw/zinc/56/36/68/822563668.db2.gz MOCOMMUICINKSV-UHFFFAOYSA-N 1 0 391.559 4.157 20 0 GIADRO Cc1cc(NC(=O)C2CC[NH+](Cc3cnc(-c4ccc(C)cc4)s3)CC2)no1 ZINC000179858043 822567410 /nfs/dbraw/zinc/56/74/10/822567410.db2.gz HJBIPYRIARNWCO-UHFFFAOYSA-N 1 0 396.516 4.266 20 0 GIADRO CCc1nc2ccccc2n1C1CC[NH+](Cn2nccc2-c2cccnc2)CC1 ZINC000179874085 822569372 /nfs/dbraw/zinc/56/93/72/822569372.db2.gz CQYNKWCQHFCBQJ-UHFFFAOYSA-N 1 0 386.503 4.152 20 0 GIADRO COCc1ccsc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000179875306 822569612 /nfs/dbraw/zinc/56/96/12/822569612.db2.gz IONWCZGGCCOECE-INIZCTEOSA-N 1 0 378.563 4.159 20 0 GIADRO Cc1cc(Br)ccc1NC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000047358704 822570458 /nfs/dbraw/zinc/57/04/58/822570458.db2.gz IIRLEZBWONTSAQ-UHFFFAOYSA-N 1 0 380.330 4.240 20 0 GIADRO CC[C@@H](C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccc(OC)cc1 ZINC000179881230 822570665 /nfs/dbraw/zinc/57/06/65/822570665.db2.gz LAVLBVINYROHGQ-JOCHJYFZSA-N 1 0 384.495 4.109 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)N(Cc3ccc(C)o3)C3CC3)c(C)c2)CC1 ZINC000047373188 822571811 /nfs/dbraw/zinc/57/18/11/822571811.db2.gz JMOJNRABNWCJSF-UHFFFAOYSA-N 1 0 396.535 4.235 20 0 GIADRO Cc1nc([C@@H](N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c2ccc(Cl)cc2)no1 ZINC000179895536 822572985 /nfs/dbraw/zinc/57/29/85/822572985.db2.gz JVSNBJZTSMJVJU-RTWAWAEBSA-N 1 0 396.922 4.375 20 0 GIADRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)Nc1cnn(CC(C)C)c1C(F)F ZINC000455022393 822573082 /nfs/dbraw/zinc/57/30/82/822573082.db2.gz JSIXUDWSPMLUCT-HNNXBMFYSA-N 1 0 385.503 4.109 20 0 GIADRO O=C(Nc1cccc2ccc(O)cc21)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000184068954 822573843 /nfs/dbraw/zinc/57/38/43/822573843.db2.gz UZOWYTVYDZYZFC-UHFFFAOYSA-N 1 0 390.483 4.002 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)CC1 ZINC000184071095 822574075 /nfs/dbraw/zinc/57/40/75/822574075.db2.gz UNCPMDWTROSPAK-RTBURBONSA-N 1 0 378.507 4.429 20 0 GIADRO O=C(NCCCCC[NH+]1CCCC1)N1CC=C(c2c(F)cccc2F)CC1 ZINC000455033730 822575860 /nfs/dbraw/zinc/57/58/60/822575860.db2.gz LUSBNPKIAIVAOC-UHFFFAOYSA-N 1 0 377.479 4.030 20 0 GIADRO C[C@H](CC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)C(=O)c1ccc(Cl)cc1 ZINC000179918504 822576843 /nfs/dbraw/zinc/57/68/43/822576843.db2.gz YQDZRMRZEQDVAW-SJORKVTESA-N 1 0 378.944 4.320 20 0 GIADRO CCOc1ncc(C(=O)N2CCC(CCC[NH+](CC)CC)CC2)cc1Cl ZINC000184093391 822576908 /nfs/dbraw/zinc/57/69/08/822576908.db2.gz VDFLLCRSISWZIP-UHFFFAOYSA-N 1 0 381.948 4.108 20 0 GIADRO CCSc1cc(Cl)ccc1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000184095656 822577178 /nfs/dbraw/zinc/57/71/78/822577178.db2.gz PFJBTZCGFYVYEJ-UHFFFAOYSA-N 1 0 389.952 4.241 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)c2cn(-c3ccccc3)nc2C)CC1 ZINC000184095333 822577187 /nfs/dbraw/zinc/57/71/87/822577187.db2.gz KODILLKZRLPPCA-UHFFFAOYSA-N 1 0 382.552 4.155 20 0 GIADRO CCCNC(=O)C1CC[NH+](Cc2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC000179923332 822577904 /nfs/dbraw/zinc/57/79/04/822577904.db2.gz LXZXRBNHNYYKQV-UHFFFAOYSA-N 1 0 384.495 4.143 20 0 GIADRO CCCC(=O)Nc1ccc(Cl)c(NC(=O)NC(C)(C)CCC[NH+](C)C)c1 ZINC000455048305 822580082 /nfs/dbraw/zinc/58/00/82/822580082.db2.gz LHDMAXRFQNBZIA-UHFFFAOYSA-N 1 0 382.936 4.321 20 0 GIADRO C[NH+](C)C[C@@H]1CCN(C(=O)c2ccc(-c3cccc(OC(F)(F)F)c3)s2)C1 ZINC000179935557 822580314 /nfs/dbraw/zinc/58/03/14/822580314.db2.gz WZSLQUJPEBLWPG-ZDUSSCGKSA-N 1 0 398.450 4.337 20 0 GIADRO CO[C@H]1CCN(C(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)CC1(C)C ZINC000455050021 822580510 /nfs/dbraw/zinc/58/05/10/822580510.db2.gz CTNRVBXWHVWPRN-NRFANRHFSA-N 1 0 387.568 4.240 20 0 GIADRO COc1ccc(-c2nc(C(=O)Nc3cccc(C[NH+](C)C)c3)cs2)cc1OC ZINC000047453686 822580988 /nfs/dbraw/zinc/58/09/88/822580988.db2.gz PYMIHEOISAEZNT-UHFFFAOYSA-N 1 0 397.500 4.141 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)c1 ZINC000047453837 822581037 /nfs/dbraw/zinc/58/10/37/822581037.db2.gz NNKAIIJJTXHVJX-UHFFFAOYSA-N 1 0 385.414 4.253 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2C[C@H]2c2ccccc2)[C@H]1c1cccs1 ZINC000455055338 822581720 /nfs/dbraw/zinc/58/17/20/822581720.db2.gz VOIWWJQDNNBOGO-IWFBPKFRSA-N 1 0 383.561 4.234 20 0 GIADRO O=C(Nc1ccccc1OCCc1ccccc1)N1CCC([NH+]2CCCC2)CC1 ZINC000047498096 822584209 /nfs/dbraw/zinc/58/42/09/822584209.db2.gz PCPDNEWZBBAFOA-UHFFFAOYSA-N 1 0 393.531 4.400 20 0 GIADRO CCOc1c(Cl)cc(CNC(=O)Nc2cccc(C[NH+](C)C)c2)cc1OC ZINC000047505725 822585094 /nfs/dbraw/zinc/58/50/94/822585094.db2.gz JVISNILNEVQDLN-UHFFFAOYSA-N 1 0 391.899 4.131 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+][C@@H]2CCCOc3cc(F)ccc32)cc1 ZINC000179961818 822586272 /nfs/dbraw/zinc/58/62/72/822586272.db2.gz NWFBFQBOENZOLY-AUUYWEPGSA-N 1 0 392.496 4.152 20 0 GIADRO O=C(/C=C/c1ccccn1)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000047519647 822586500 /nfs/dbraw/zinc/58/65/00/822586500.db2.gz HAKMBWUFBTWHJR-SDNWHVSQSA-N 1 0 398.510 4.056 20 0 GIADRO COc1ccc(C[NH+]2CCC(C(F)(F)F)CC2)cc1OCc1cccnc1 ZINC000179964833 822586645 /nfs/dbraw/zinc/58/66/45/822586645.db2.gz AQQVOBUWVFBSAQ-UHFFFAOYSA-N 1 0 380.410 4.444 20 0 GIADRO Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@@H](C)c1ccc(Oc2ccccc2)c(F)c1 ZINC000179964317 822586651 /nfs/dbraw/zinc/58/66/51/822586651.db2.gz WZLZFCKFINJNQU-ZDUSSCGKSA-N 1 0 382.439 4.247 20 0 GIADRO CC(C)[C@@H](NC(=O)c1ccco1)C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000047544218 822589078 /nfs/dbraw/zinc/58/90/78/822589078.db2.gz SVNIGETZWLAPNS-DYESRHJHSA-N 1 0 397.519 4.047 20 0 GIADRO CC(C)C[C@@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1cccc(C(F)(F)F)c1 ZINC000179977088 822589074 /nfs/dbraw/zinc/58/90/74/822589074.db2.gz GJADUBBMFCFBRA-QZTJIDSGSA-N 1 0 387.442 4.304 20 0 GIADRO CC(C)COC[C@H]([NH2+]C[C@H](O)c1cccc(Br)c1)c1ccco1 ZINC000184169328 822589886 /nfs/dbraw/zinc/58/98/86/822589886.db2.gz OFYDQEHQCBRHHD-IRXDYDNUSA-N 1 0 382.298 4.079 20 0 GIADRO CCCCCOc1ccc([C@@H]([NH2+]C[C@@H]2COC3(CCOCC3)O2)C2CC2)cc1 ZINC000179981761 822590032 /nfs/dbraw/zinc/59/00/32/822590032.db2.gz LSYZVNJPRJYCPV-YADHBBJMSA-N 1 0 389.536 4.218 20 0 GIADRO Fc1ccc(-c2noc(CCC[NH2+]C3CCN(Cc4ccccc4)CC3)n2)cc1 ZINC000184171999 822590499 /nfs/dbraw/zinc/59/04/99/822590499.db2.gz RDGLRHNPGJMVKM-UHFFFAOYSA-N 1 0 394.494 4.063 20 0 GIADRO O=C(NCC[NH2+][C@@H](c1ccc(Cl)cc1)c1ccc(OC(F)F)cc1)C1CC1 ZINC000179989892 822591793 /nfs/dbraw/zinc/59/17/93/822591793.db2.gz PFTSSGTYLJERAZ-SFHVURJKSA-N 1 0 394.849 4.147 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]C[C@H]1COC2(CCC(C)CC2)O1 ZINC000180002836 822593554 /nfs/dbraw/zinc/59/35/54/822593554.db2.gz VFXRROFLYMMSFI-YVDIRLSNSA-N 1 0 387.549 4.486 20 0 GIADRO COc1ccccc1[C@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)C1CCCC1 ZINC000180004024 822593958 /nfs/dbraw/zinc/59/39/58/822593958.db2.gz BCADJGAPXIVODL-JOCHJYFZSA-N 1 0 382.504 4.414 20 0 GIADRO O=S(=O)(c1ccccc1C[NH2+][C@H](c1ccccc1)C1CC1)N1CCCCC1 ZINC000180004004 822593986 /nfs/dbraw/zinc/59/39/86/822593986.db2.gz WQOPMMQHWVENNZ-JOCHJYFZSA-N 1 0 384.545 4.102 20 0 GIADRO Cc1[nH]c2ccccc2c1C(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000047588565 822594627 /nfs/dbraw/zinc/59/46/27/822594627.db2.gz ZPYNDYCSEQWVMN-CALCHBBNSA-N 1 0 391.515 4.016 20 0 GIADRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)c3c(F)cccc3Cl)cc2)C[C@H](C)O1 ZINC000047588676 822594672 /nfs/dbraw/zinc/59/46/72/822594672.db2.gz OLXNWTOQZMJERJ-GJZGRUSLSA-N 1 0 390.886 4.018 20 0 GIADRO CC(C)[C@@H]([NH2+]Cc1cccnc1N1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000180008832 822595238 /nfs/dbraw/zinc/59/52/38/822595238.db2.gz GJPVUYFSMAAMHM-LJQANCHMSA-N 1 0 393.453 4.424 20 0 GIADRO COc1cc(C)c(Br)cc1NC(=O)NC(C)(C)CCC[NH+](C)C ZINC000455141722 822595959 /nfs/dbraw/zinc/59/59/59/822595959.db2.gz OMYLRPPUXJIGKD-UHFFFAOYSA-N 1 0 386.334 4.008 20 0 GIADRO Cc1cc(Br)c(F)cc1NC(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000455144862 822596332 /nfs/dbraw/zinc/59/63/32/822596332.db2.gz FJNFYXUWVSYUCT-GFCCVEGCSA-N 1 0 398.320 4.235 20 0 GIADRO Clc1ccc(-c2noc([C@@H]3CCC[N@H+](Cc4cccc5nccn54)C3)n2)cc1 ZINC000180014252 822596637 /nfs/dbraw/zinc/59/66/37/822596637.db2.gz AEICLWKWTUJZOK-MRXNPFEDSA-N 1 0 393.878 4.417 20 0 GIADRO COc1ccc(NC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1OC(C)C ZINC000184218578 822597891 /nfs/dbraw/zinc/59/78/91/822597891.db2.gz FBOWVKDKIZQZDM-IAGOWNOFSA-N 1 0 389.540 4.257 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1cccc(Cl)c1-n1cccn1)c1ccsc1 ZINC000047630140 822598226 /nfs/dbraw/zinc/59/82/26/822598226.db2.gz RUMVUZMXJOLWIR-MRXNPFEDSA-N 1 0 389.912 4.012 20 0 GIADRO C[C@@H]1C[C@@H]1[C@H]([NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1)c1ccc(Cl)cc1 ZINC000180022658 822598480 /nfs/dbraw/zinc/59/84/80/822598480.db2.gz QUBGFKOOYKDOCN-VOBQZIQPSA-N 1 0 392.952 4.077 20 0 GIADRO Cc1ccc(N2CCOC2=O)cc1N[C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000180023773 822598922 /nfs/dbraw/zinc/59/89/22/822598922.db2.gz ZPDOGGXLRTYDHV-QGZVFWFLSA-N 1 0 383.492 4.065 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NCc1ccc(Cl)cc1 ZINC000180024494 822599156 /nfs/dbraw/zinc/59/91/56/822599156.db2.gz IQQVHHNZWXFQHE-UHFFFAOYSA-N 1 0 386.927 4.183 20 0 GIADRO Cc1cc(C)n(-c2ccc(C[NH2+][C@@H]3CCc4c3cccc4Br)cn2)n1 ZINC000180025581 822599623 /nfs/dbraw/zinc/59/96/23/822599623.db2.gz JBMWPUMBINZDIM-LJQANCHMSA-N 1 0 397.320 4.424 20 0 GIADRO C[C@@H]1C[C@H]1[C@H]([NH2+]CCC(=O)Nc1cc(N)ccc1F)c1ccc(Cl)cc1 ZINC000180031526 822600952 /nfs/dbraw/zinc/60/09/52/822600952.db2.gz DWYATQYRFITUEB-CBLJQSSYSA-N 1 0 375.875 4.377 20 0 GIADRO CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3cc(F)cc4cccnc43)ccc2NC1=O ZINC000180031664 822601208 /nfs/dbraw/zinc/60/12/08/822601208.db2.gz NEROAKDISUJNGC-DJJJIMSYSA-N 1 0 379.435 4.334 20 0 GIADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(Br)c2Cl)C1 ZINC000184245850 822602142 /nfs/dbraw/zinc/60/21/42/822602142.db2.gz OPHSCDCAONDLJB-ZDUSSCGKSA-N 1 0 387.749 4.200 20 0 GIADRO COc1ccccc1-c1ccc(C[NH2+][C@H]2CCCN(c3cccnc3)C2=O)cc1 ZINC000184253994 822603730 /nfs/dbraw/zinc/60/37/30/822603730.db2.gz FTXRLDJSPOKGBY-QFIPXVFZSA-N 1 0 387.483 4.042 20 0 GIADRO COc1cccc(CC[NH2+]Cc2ccc(OC)c(OCc3cccnc3)c2)c1 ZINC000047720622 822603860 /nfs/dbraw/zinc/60/38/60/822603860.db2.gz MBRBFOYGIGDDGT-UHFFFAOYSA-N 1 0 378.472 4.010 20 0 GIADRO COc1ccc([C@H]([NH2+]Cc2cccc(C(=O)NC[C@@H]3CCCO3)c2)C(C)C)cc1 ZINC000180051355 822604912 /nfs/dbraw/zinc/60/49/12/822604912.db2.gz FGQDNYTXFUSGGV-XZOQPEGZSA-N 1 0 396.531 4.091 20 0 GIADRO Cc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+][C@H](C)C[S@@](C)=O)cc1C ZINC000184260222 822604930 /nfs/dbraw/zinc/60/49/30/822604930.db2.gz ICWHJCUTEXSGIG-WHLCRQNOSA-N 1 0 395.572 4.072 20 0 GIADRO COCCOc1cccc(NC(=O)NCc2ccccc2C[NH+]2CCCCC2)c1 ZINC000047738826 822605360 /nfs/dbraw/zinc/60/53/60/822605360.db2.gz CWIUHFAYVVEFBE-UHFFFAOYSA-N 1 0 397.519 4.019 20 0 GIADRO C[C@H]([NH2+][C@@H](CCc1ccccc1)c1ccccc1)c1ccc(S(N)(=O)=O)cc1 ZINC000180061643 822606687 /nfs/dbraw/zinc/60/66/87/822606687.db2.gz JRXVBYZCOSPJNR-MBSDFSHPSA-N 1 0 394.540 4.359 20 0 GIADRO COc1cc(Br)ccc1CCC[NH2+]Cc1ccc(NC(C)=O)cc1 ZINC000184277204 822607388 /nfs/dbraw/zinc/60/73/88/822607388.db2.gz DADGGHKZMOPWLI-UHFFFAOYSA-N 1 0 391.309 4.139 20 0 GIADRO CCC[C@@H](C)C[NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000180069699 822609035 /nfs/dbraw/zinc/60/90/35/822609035.db2.gz XBBDSSXZRFGAIF-JLTOFOAXSA-N 1 0 381.488 4.484 20 0 GIADRO C[C@@H](C[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1)c1nccs1 ZINC000184291190 822609625 /nfs/dbraw/zinc/60/96/25/822609625.db2.gz MUHXJMNVUHIGNF-NSHDSACASA-N 1 0 377.311 4.189 20 0 GIADRO CS(=O)(=O)Cc1cccc(C[NH2+][C@@H](c2ccccc2F)C2CCCC2)c1 ZINC000180076528 822610593 /nfs/dbraw/zinc/61/05/93/822610593.db2.gz SBQBJRZKEFWBDY-OAQYLSRUSA-N 1 0 375.509 4.391 20 0 GIADRO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1ccccc1CN1CCCC1=O)CC3 ZINC000180083651 822611867 /nfs/dbraw/zinc/61/18/67/822611867.db2.gz QMOWQHGZSIJWMD-FQEVSTJZSA-N 1 0 387.527 4.246 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000180085984 822612273 /nfs/dbraw/zinc/61/22/73/822612273.db2.gz GGURNXOLXZPDLZ-LBPRGKRZSA-N 1 0 397.445 4.007 20 0 GIADRO CC(C)Oc1cccc([C@@H](C)NC(=O)NC[C@H](c2cccs2)[NH+](C)C)c1 ZINC000047832316 822613275 /nfs/dbraw/zinc/61/32/75/822613275.db2.gz MKSWWPXMMDRQQQ-CRAIPNDOSA-N 1 0 375.538 4.198 20 0 GIADRO Clc1ccccc1[C@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc2c(c1)OCCO2 ZINC000180094803 822614217 /nfs/dbraw/zinc/61/42/17/822614217.db2.gz BADJVLHPXRXTKR-QMHKHESXSA-N 1 0 398.934 4.275 20 0 GIADRO Brc1ccc([C@H]([NH2+]Cc2ccc(-n3cncn3)cc2)C2CC2)cc1 ZINC000180094880 822614280 /nfs/dbraw/zinc/61/42/80/822614280.db2.gz FGBNWODCXOAPGP-LJQANCHMSA-N 1 0 383.293 4.271 20 0 GIADRO C[C@H]([NH2+][C@H](c1ccc(Cl)cc1)C1CCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000180097380 822614706 /nfs/dbraw/zinc/61/47/06/822614706.db2.gz NTWOJRSPQAEHOH-DJJJIMSYSA-N 1 0 378.925 4.179 20 0 GIADRO COc1ccc2oc([C@@H](C)[NH2+]C[C@H](O)COCc3cccs3)c(C)c2c1 ZINC000184322950 822614906 /nfs/dbraw/zinc/61/49/06/822614906.db2.gz JGYQNKOVXHYOAV-CABCVRRESA-N 1 0 375.490 4.040 20 0 GIADRO O=C(CCc1ccc2[nH]ccc2c1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000180104700 822615967 /nfs/dbraw/zinc/61/59/67/822615967.db2.gz HKABJHHYNSOROU-UHFFFAOYSA-N 1 0 379.529 4.288 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N[C@@H]1CCSc2ccc(F)cc21 ZINC000047882439 822615982 /nfs/dbraw/zinc/61/59/82/822615982.db2.gz VKHIIIRGMMGVOK-SJORKVTESA-N 1 0 389.496 4.092 20 0 GIADRO CC[C@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(OC)cc1 ZINC000180108734 822617030 /nfs/dbraw/zinc/61/70/30/822617030.db2.gz QPHAWJQUDOXAPE-UWJYYQICSA-N 1 0 386.561 4.279 20 0 GIADRO CCC[C@H]([NH2+][C@H](C)c1cncc(C)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000184336676 822617908 /nfs/dbraw/zinc/61/79/08/822617908.db2.gz VYAKPAFRZGMIHL-GCJKJVERSA-N 1 0 380.536 4.448 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(Cl)c(OC(F)F)c1)c1cccs1 ZINC000180113375 822618048 /nfs/dbraw/zinc/61/80/48/822618048.db2.gz GKANNNHQFXGLHT-LBPRGKRZSA-N 1 0 389.855 4.427 20 0 GIADRO COc1ccc2oc([C@H](C)[NH2+]CC(=O)Nc3ccnn3C3CCCC3)c(C)c2c1 ZINC000184339336 822618320 /nfs/dbraw/zinc/61/83/20/822618320.db2.gz RARMCRJVRBFWDF-HNNXBMFYSA-N 1 0 396.491 4.351 20 0 GIADRO Cc1cc(F)c(Br)cc1NC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000455253534 822618473 /nfs/dbraw/zinc/61/84/73/822618473.db2.gz WHSSOLVGTZNZIF-UHFFFAOYSA-N 1 0 384.293 4.035 20 0 GIADRO COc1ccc2oc([C@@H](C)[NH2+]CC(=O)Nc3ccc(OC)c(OC)c3)c(C)c2c1 ZINC000184341987 822618794 /nfs/dbraw/zinc/61/87/94/822618794.db2.gz PMAOHLSORPBPSS-CQSZACIVSA-N 1 0 398.459 4.056 20 0 GIADRO COc1ccc2oc([C@H](C)[NH2+]C[C@@H]3CN(c4ccccc4)C(=O)O3)c(C)c2c1 ZINC000184341487 822618797 /nfs/dbraw/zinc/61/87/97/822618797.db2.gz GOWSVSLGQZAVEJ-MAUKXSAKSA-N 1 0 380.444 4.426 20 0 GIADRO COc1ccc(OC(F)F)c(NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000047915048 822619081 /nfs/dbraw/zinc/61/90/81/822619081.db2.gz HOVNDFRGOISQBZ-CQSZACIVSA-N 1 0 385.455 4.073 20 0 GIADRO Cc1cnc([C@H](C)C[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)s1 ZINC000184345903 822619590 /nfs/dbraw/zinc/61/95/90/822619590.db2.gz VVWRYEBKKQIZSK-LLVKDONJSA-N 1 0 391.338 4.497 20 0 GIADRO Cc1cc2occ(C(=O)N3CCC(C[NH+]4C[C@@H](C)O[C@H](C)C4)CC3)c2cc1C ZINC000184347246 822619825 /nfs/dbraw/zinc/61/98/25/822619825.db2.gz UJYATBRODPKHTC-QZTJIDSGSA-N 1 0 384.520 4.011 20 0 GIADRO C[N@@H+]1CC[C@H](NC(=O)c2ccc(C(=O)Nc3ccccc3)cc2)[C@@H]1c1ccccc1 ZINC000180123442 822620054 /nfs/dbraw/zinc/62/00/54/822620054.db2.gz XUECIOMRYKMVGX-GOTSBHOMSA-N 1 0 399.494 4.114 20 0 GIADRO CC(C)C[C@H]([NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000180132222 822622473 /nfs/dbraw/zinc/62/24/73/822622473.db2.gz MLNZRBSVDFXUIQ-KUHUBIRLSA-N 1 0 380.941 4.425 20 0 GIADRO CCN(CC)C(=O)c1cccc(NC(=O)C[N@H+](C)[C@@H](C)c2ccc(C)cc2)c1 ZINC000047960080 822622778 /nfs/dbraw/zinc/62/27/78/822622778.db2.gz VZHWDOLZELLAKO-SFHVURJKSA-N 1 0 381.520 4.109 20 0 GIADRO Cc1ccc(OCc2nc(CN3CCC(C[NH+]4CCCC4)CC3)cs2)cc1 ZINC000047972941 822623422 /nfs/dbraw/zinc/62/34/22/822623422.db2.gz FEVXYBDSCSKLNR-UHFFFAOYSA-N 1 0 385.577 4.338 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)NC(c2ccccc2C)c2ccccc2C)C1 ZINC000184369478 822623489 /nfs/dbraw/zinc/62/34/89/822623489.db2.gz HFGQFEQQDOFVPO-FQEVSTJZSA-N 1 0 379.548 4.376 20 0 GIADRO CC[NH+]1CCC(NC(=O)NC[C@H]2CC3c4ccccc4C2c2ccccc23)CC1 ZINC000047978578 822623505 /nfs/dbraw/zinc/62/35/05/822623505.db2.gz CQGDRPPVNXCWJV-ZPSAWSNLSA-N 1 0 389.543 4.067 20 0 GIADRO C[NH+](C)CC1CCC(NC(=O)Nc2ccc(Cl)c(OC(F)F)c2)CC1 ZINC000180139749 822624618 /nfs/dbraw/zinc/62/46/18/822624618.db2.gz JTJNOHDYONCLGL-UHFFFAOYSA-N 1 0 375.847 4.183 20 0 GIADRO COc1ccccc1[C@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)C1CCCC1 ZINC000180142730 822625382 /nfs/dbraw/zinc/62/53/82/822625382.db2.gz AKHFQKJHGAZLFY-JOCHJYFZSA-N 1 0 387.545 4.261 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1ccccc1Br)c1ccc(F)cc1 ZINC000048050399 822626864 /nfs/dbraw/zinc/62/68/64/822626864.db2.gz QFAYFFHCUOOTDY-MRXNPFEDSA-N 1 0 380.261 4.013 20 0 GIADRO Cc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000048059299 822628017 /nfs/dbraw/zinc/62/80/17/822628017.db2.gz UOFYPWIFBKTUKC-NRFANRHFSA-N 1 0 378.520 4.116 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(OCC(F)(F)F)cc1)c1ccc(F)cc1 ZINC000048061219 822628239 /nfs/dbraw/zinc/62/82/39/822628239.db2.gz GERZOOKLSHEZGM-KRWDZBQOSA-N 1 0 399.388 4.191 20 0 GIADRO CC[C@H](NCC1(C[NH2+][C@@H](CC)c2nc(C)cs2)COC1)c1nc(C)cs1 ZINC000184398784 822628408 /nfs/dbraw/zinc/62/84/08/822628408.db2.gz QSFNANXRANWCCN-HOTGVXAUSA-N 1 0 394.610 4.015 20 0 GIADRO CSc1c(F)cc(NC(=O)N(CC[NH+](C)C)Cc2cccs2)cc1F ZINC000184400879 822628673 /nfs/dbraw/zinc/62/86/73/822628673.db2.gz LDCIEKHCVRFARR-UHFFFAOYSA-N 1 0 385.505 4.344 20 0 GIADRO C[C@H](NC(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccnc1 ZINC000048067529 822628941 /nfs/dbraw/zinc/62/89/41/822628941.db2.gz HPTPVMKLUKLUKL-OTWHNJEPSA-N 1 0 380.536 4.120 20 0 GIADRO COc1ccc([C@H](CCO)[NH2+][C@@H]2CCc3c2cccc3Br)cc1 ZINC000180157434 822629003 /nfs/dbraw/zinc/62/90/03/822629003.db2.gz GUHLSCLPVACJNS-RBUKOAKNSA-N 1 0 376.294 4.158 20 0 GIADRO COc1cc(-c2noc(CCCCC[NH2+][C@@H](C)c3cncc(C)c3)n2)ccc1O ZINC000184405804 822629471 /nfs/dbraw/zinc/62/94/71/822629471.db2.gz ALBGRSHAWZLGKE-INIZCTEOSA-N 1 0 396.491 4.218 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(F)cc1Br)c1ccc(F)cc1 ZINC000048082800 822630321 /nfs/dbraw/zinc/63/03/21/822630321.db2.gz MYGFEDAEOVSDOF-INIZCTEOSA-N 1 0 398.251 4.152 20 0 GIADRO C[N@@H+]1CC[C@@H](NC(=O)c2ncoc2-c2ccccc2Cl)[C@@H]1c1ccccc1 ZINC000180166874 822631026 /nfs/dbraw/zinc/63/10/26/822631026.db2.gz YPOKQEMWYMWKOQ-MJGOQNOKSA-N 1 0 381.863 4.170 20 0 GIADRO Cn1cc(C[NH+]2CCC([C@@H](O)c3ccc(F)cc3)CC2)c(-c2cccs2)n1 ZINC000180169449 822631607 /nfs/dbraw/zinc/63/16/07/822631607.db2.gz KLOCUWYPMXEIRZ-NRFANRHFSA-N 1 0 385.508 4.233 20 0 GIADRO FC(F)(F)CCN1CCC([NH2+][C@@H]2CCc3c2cccc3Br)CC1 ZINC000180172134 822631926 /nfs/dbraw/zinc/63/19/26/822631926.db2.gz AGRLPIXNHUGRBU-MRXNPFEDSA-N 1 0 391.275 4.443 20 0 GIADRO O=C(CCC[NH2+][C@H]1CCc2c1cccc2Br)N1Cc2ccccc2C1 ZINC000180172844 822632130 /nfs/dbraw/zinc/63/21/30/822632130.db2.gz SYWOEISAJVMICF-FQEVSTJZSA-N 1 0 399.332 4.349 20 0 GIADRO C[C@H]1CCN(C(=O)Nc2nc(Cc3ccccc3)cs2)C[C@@H]1n1ccnc1 ZINC000184423820 822632605 /nfs/dbraw/zinc/63/26/05/822632605.db2.gz OORVHHFYNMTSLX-YJBOKZPZSA-N 1 0 381.505 4.045 20 0 GIADRO C[C@H](CC(=O)NC1CC[NH+](CC2CCCC2)CC1)C(=O)c1ccc(Cl)cc1 ZINC000180185433 822634977 /nfs/dbraw/zinc/63/49/77/822634977.db2.gz JKMNDIAJKFXQGE-MRXNPFEDSA-N 1 0 390.955 4.320 20 0 GIADRO C[N@@H+]1CC[C@@H](NC(=O)Cc2coc(-c3ccc(Cl)cc3)n2)[C@@H]1c1ccccc1 ZINC000180194445 822636679 /nfs/dbraw/zinc/63/66/79/822636679.db2.gz SPBNJGSPNULZFF-CTNGQTDRSA-N 1 0 395.890 4.099 20 0 GIADRO Cc1nc2cc(Cl)c(NC(=O)N3CC[C@]4(C3)CCC[N@@H+](C)C4)cc2s1 ZINC000455351798 822638495 /nfs/dbraw/zinc/63/84/95/822638495.db2.gz IEOOTNANHYNCOA-GOSISDBHSA-N 1 0 378.929 4.208 20 0 GIADRO Cc1cc([C@@H](NCCC[NH+]2CCC(O)CC2)c2ccccc2Cl)ccc1F ZINC000180211932 822640424 /nfs/dbraw/zinc/64/04/24/822640424.db2.gz JHBKXDLOWVJNFB-JOCHJYFZSA-N 1 0 390.930 4.313 20 0 GIADRO CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2cccc(SC(=O)N(C)C)c2)C1 ZINC000184465927 822640745 /nfs/dbraw/zinc/64/07/45/822640745.db2.gz WCLRUMQBIIPYPT-KRWDZBQOSA-N 1 0 378.538 4.014 20 0 GIADRO Cc1nc(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)c(-c2ccccc2)o1 ZINC000184466385 822640844 /nfs/dbraw/zinc/64/08/44/822640844.db2.gz LQWLCHCJXZYPTG-UHFFFAOYSA-N 1 0 393.512 4.451 20 0 GIADRO C[C@H](c1ccc(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)cc1)C(F)(F)F ZINC000455365367 822641009 /nfs/dbraw/zinc/64/10/09/822641009.db2.gz GXRBLNFYCIUHEF-OAHLLOKOSA-N 1 0 394.437 4.223 20 0 GIADRO C[C@H]([NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000180215904 822641039 /nfs/dbraw/zinc/64/10/39/822641039.db2.gz ZQTYUHASAQYVIJ-KPZWWZAWSA-N 1 0 398.450 4.155 20 0 GIADRO COc1ccc(S[C@H](C)C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000048185655 822643304 /nfs/dbraw/zinc/64/33/04/822643304.db2.gz MDSULTBOUPMMHJ-QAPCUYQASA-N 1 0 390.574 4.191 20 0 GIADRO Cc1ccc(SCCC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1C ZINC000180228301 822643769 /nfs/dbraw/zinc/64/37/69/822643769.db2.gz IQELWOGUOAMTCB-UHFFFAOYSA-N 1 0 383.561 4.213 20 0 GIADRO C[NH+](C)Cc1ccccc1NC(=O)CCCOc1ccccc1Br ZINC000048193614 822644135 /nfs/dbraw/zinc/64/41/35/822644135.db2.gz TXUARTSLIWSHRT-UHFFFAOYSA-N 1 0 391.309 4.308 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1cccc(OC2CCCC2)c1 ZINC000180230028 822644185 /nfs/dbraw/zinc/64/41/85/822644185.db2.gz IMVFUSKFBKRBFJ-UHFFFAOYSA-N 1 0 379.504 4.049 20 0 GIADRO CC(C)OC(=O)C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000184486613 822644289 /nfs/dbraw/zinc/64/42/89/822644289.db2.gz RIQLMTAGDWIENC-HXUWFJFHSA-N 1 0 394.515 4.493 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)C1(c2ccc(F)cc2F)CCCC1 ZINC000180230713 822644431 /nfs/dbraw/zinc/64/44/31/822644431.db2.gz VUEQUVZUHQAPFE-UHFFFAOYSA-N 1 0 399.485 4.204 20 0 GIADRO CC(C)(C)OC(=O)c1cccc(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)c1 ZINC000180243424 822646855 /nfs/dbraw/zinc/64/68/55/822646855.db2.gz NVGAQANVTDTETL-NRFANRHFSA-N 1 0 389.536 4.192 20 0 GIADRO CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cc(F)c(F)c(F)c2)c2ccc(F)cc2C1 ZINC000184508997 822647449 /nfs/dbraw/zinc/64/74/49/822647449.db2.gz PAOCXATVPWXJOA-NSPYISDASA-N 1 0 380.385 4.387 20 0 GIADRO C[N@@H+]1CC[C@]2(CCN(C(=O)Nc3ccc(-c4ccc(Cl)s4)nc3)C2)C1 ZINC000455408179 822648101 /nfs/dbraw/zinc/64/81/01/822648101.db2.gz JVLQNQJFJFSTGJ-SFHVURJKSA-N 1 0 376.913 4.023 20 0 GIADRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+]C[C@@H](C)CS(C)(=O)=O ZINC000184511731 822648196 /nfs/dbraw/zinc/64/81/96/822648196.db2.gz XFSMUPOYZXSAJS-VXGBXAGGSA-N 1 0 386.970 4.103 20 0 GIADRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+]CC(=O)Nc1ccncc1 ZINC000184513635 822648663 /nfs/dbraw/zinc/64/86/63/822648663.db2.gz RCGBQAXXVSEIEA-LBPRGKRZSA-N 1 0 386.908 4.456 20 0 GIADRO Cc1ccc(NC(=O)C(C)C)cc1NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000048255341 822648711 /nfs/dbraw/zinc/64/87/11/822648711.db2.gz SFQAIDXVCFPVJJ-LJQANCHMSA-N 1 0 398.507 4.141 20 0 GIADRO CCC(=O)Nc1ccc(C)c(NC(=O)N(CC[NH+](CC)CC)CC(C)C)c1 ZINC000048257598 822649480 /nfs/dbraw/zinc/64/94/80/822649480.db2.gz UJKKQZPYUZOGFV-UHFFFAOYSA-N 1 0 376.545 4.175 20 0 GIADRO C[C@H]([NH2+]CCc1ccncc1)c1ccc(Br)cc1Br ZINC000048261939 822649673 /nfs/dbraw/zinc/64/96/73/822649673.db2.gz JYFPDAPUEAGOMX-NSHDSACASA-N 1 0 384.115 4.500 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Nc1cc(NC(C)=O)ccc1C)Cc1ccccc1 ZINC000048270766 822650258 /nfs/dbraw/zinc/65/02/58/822650258.db2.gz YMTGFCFJRNFZOX-NRFANRHFSA-N 1 0 396.535 4.028 20 0 GIADRO CC(=O)Nc1ccc(C[NH2+]C[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)cc1 ZINC000184530011 822651833 /nfs/dbraw/zinc/65/18/33/822651833.db2.gz BFBVEACRFCHDRR-IBGZPJMESA-N 1 0 379.426 4.056 20 0 GIADRO O=C(CCSCc1ccccn1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000048298163 822652261 /nfs/dbraw/zinc/65/22/61/822652261.db2.gz LHZWNKNBNWMHTI-UHFFFAOYSA-N 1 0 375.582 4.010 20 0 GIADRO COc1ccc([C@H](NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)C2CC2)cc1 ZINC000048304573 822652510 /nfs/dbraw/zinc/65/25/10/822652510.db2.gz HPINHIUSPLAGGW-HSZRJFAPSA-N 1 0 393.531 4.242 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)N(C)Cc2cc(Br)cs2)o1 ZINC000048328044 822654089 /nfs/dbraw/zinc/65/40/89/822654089.db2.gz PUQHLJHDVCNIOA-UHFFFAOYSA-N 1 0 385.327 4.218 20 0 GIADRO CCC[NH+]1CCC(NC(=O)[C@H](C)Sc2cc(Cl)ccc2Cl)CC1 ZINC000048338711 822654460 /nfs/dbraw/zinc/65/44/60/822654460.db2.gz AMWLSTDTPVPGDR-LBPRGKRZSA-N 1 0 375.365 4.465 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]CCCS(=O)(=O)C(C)C ZINC000184545157 822654615 /nfs/dbraw/zinc/65/46/15/822654615.db2.gz SBILUPRLEBRKLR-HNNXBMFYSA-N 1 0 380.579 4.291 20 0 GIADRO Cc1c(-c2cc(C[NH+]3CCC(c4c[nH]c5cc(F)ccc54)CC3)on2)cnn1C ZINC000184545331 822654871 /nfs/dbraw/zinc/65/48/71/822654871.db2.gz DYMXHXAJRGEYSM-UHFFFAOYSA-N 1 0 393.466 4.384 20 0 GIADRO CC(C)[C@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(C(F)(F)F)c1 ZINC000455443619 822655150 /nfs/dbraw/zinc/65/51/50/822655150.db2.gz IKZNCJKCKNOQCM-FBVQUNGASA-N 1 0 383.458 4.327 20 0 GIADRO Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)N[C@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000184559115 822657405 /nfs/dbraw/zinc/65/74/05/822657405.db2.gz WKULXGMSBTYBHJ-RTWAWAEBSA-N 1 0 397.567 4.030 20 0 GIADRO Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000180294649 822658041 /nfs/dbraw/zinc/65/80/41/822658041.db2.gz KBMDXQLNHGFGSC-MOPGFXCFSA-N 1 0 399.539 4.083 20 0 GIADRO Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180295899 822658218 /nfs/dbraw/zinc/65/82/18/822658218.db2.gz VGDHLEMJXHBTQQ-LJQANCHMSA-N 1 0 394.563 4.493 20 0 GIADRO CCC(=O)Nc1ccc(NC(=O)NC[C@H](c2ccccc2)[NH+](CC)CC)cc1 ZINC000048390381 822658660 /nfs/dbraw/zinc/65/86/60/822658660.db2.gz GVROGYMZMQBHAU-HXUWFJFHSA-N 1 0 382.508 4.240 20 0 GIADRO CCC(=O)Nc1ccc(NC(=O)NC[C@@H](Cc2ccccc2)[NH+](CC)CC)cc1 ZINC000048390198 822658728 /nfs/dbraw/zinc/65/87/28/822658728.db2.gz ZBLSFYTUUSHQPZ-OAQYLSRUSA-N 1 0 396.535 4.110 20 0 GIADRO Cc1ccc(C(=O)NCCC[N@H+]2CCCC[C@@H]2C)cc1NC(=O)c1ccccc1 ZINC000048397366 822659199 /nfs/dbraw/zinc/65/91/99/822659199.db2.gz OCBNLUVKXJTQIE-IBGZPJMESA-N 1 0 393.531 4.242 20 0 GIADRO Cc1cc(NC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)n(Cc2ccccc2)n1 ZINC000180300012 822659403 /nfs/dbraw/zinc/65/94/03/822659403.db2.gz WOPCCZVLNIKILJ-UYAOXDASSA-N 1 0 395.551 4.014 20 0 GIADRO CN(C)C(=O)CCC[NH2+][C@@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC000180300869 822659791 /nfs/dbraw/zinc/65/97/91/822659791.db2.gz BNLIZXZFIRDMEC-LJQANCHMSA-N 1 0 393.300 4.136 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(-c2ccccc2)cc1)c1ccc(-n2cncn2)cc1 ZINC000184587893 822662150 /nfs/dbraw/zinc/66/21/50/822662150.db2.gz OPSPFOHKVDWVND-HOYKHHGWSA-N 1 0 384.483 4.319 20 0 GIADRO Cc1ccc(C2(C(=O)Nc3cccc(CC[NH+]4CCCC4)c3)CCOCC2)cc1 ZINC000180317317 822662339 /nfs/dbraw/zinc/66/23/39/822662339.db2.gz VSRKDOVXFJRYFN-UHFFFAOYSA-N 1 0 392.543 4.320 20 0 GIADRO 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 822663033 /nfs/dbraw/zinc/66/30/33/822663033.db2.gz WIGAHCZUCRIQFD-KGLIBXPVSA-N 1 0 395.469 4.423 20 0 GIADRO CSCC[C@H]([NH2+]CCCOc1cccc(Cl)c1)c1nnc2ccccn21 ZINC000184600884 822664110 /nfs/dbraw/zinc/66/41/10/822664110.db2.gz LUESAIDMPMHJCL-KRWDZBQOSA-N 1 0 390.940 4.236 20 0 GIADRO C[N@H+](CCCNC(=O)Cc1nc(-c2ccc(F)cc2)cs1)Cc1ccccc1 ZINC000184607747 822665099 /nfs/dbraw/zinc/66/50/99/822665099.db2.gz CHYMRHAVWYRARN-UHFFFAOYSA-N 1 0 397.519 4.130 20 0 GIADRO Cn1cc([C@H](NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c2cccc(F)c2)cn1 ZINC000180337088 822665820 /nfs/dbraw/zinc/66/58/20/822665820.db2.gz UQUJPOOZYPENKE-HTAPYJJXSA-N 1 0 398.551 4.212 20 0 GIADRO C[C@@H](NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1cc2ccccc2o1 ZINC000180342412 822666735 /nfs/dbraw/zinc/66/67/35/822666735.db2.gz QZDFYGWMQWDMLT-MRXNPFEDSA-N 1 0 378.476 4.105 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)N1Cc2ccccc2-c2ccccc2C1 ZINC000455503801 822667235 /nfs/dbraw/zinc/66/72/35/822667235.db2.gz ORKKKDVWOGMLPJ-UHFFFAOYSA-N 1 0 375.516 4.396 20 0 GIADRO N#CCOc1cccc(NC(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)c1 ZINC000048510607 822668970 /nfs/dbraw/zinc/66/89/70/822668970.db2.gz FDVCUMAQMJSVEK-HXUWFJFHSA-N 1 0 398.894 4.201 20 0 GIADRO CC1CC[NH+]([C@H](CNC(=O)Nc2cccc(OCC#N)c2)c2cccs2)CC1 ZINC000048513889 822669297 /nfs/dbraw/zinc/66/92/97/822669297.db2.gz MFKSEBKJDCOBHY-LJQANCHMSA-N 1 0 398.532 4.245 20 0 GIADRO CCOc1cccc2cc([C@H](C)[NH2+]CC(=O)Nc3ccc(C(C)=O)cc3)oc21 ZINC000180355568 822669321 /nfs/dbraw/zinc/66/93/21/822669321.db2.gz PNRXAVIWVARFLW-AWEZNQCLSA-N 1 0 380.444 4.323 20 0 GIADRO COc1ccc(NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)c(C(F)(F)F)c1 ZINC000048549575 822671381 /nfs/dbraw/zinc/67/13/81/822671381.db2.gz FYHJBVHWLBIHDN-AWEZNQCLSA-N 1 0 387.427 4.200 20 0 GIADRO COc1ccc([C@@H](C[NH2+][C@@H](C)c2ccc3ccccc3n2)N(C)C)cc1OC ZINC000180379484 822672834 /nfs/dbraw/zinc/67/28/34/822672834.db2.gz DJNXZRARALQGNJ-HRAATJIYSA-N 1 0 379.504 4.206 20 0 GIADRO COc1ccc([C@@H](C[NH2+][C@@H](C)c2cc(F)c(F)c(F)c2)N(C)C)cc1OC ZINC000180381064 822673118 /nfs/dbraw/zinc/67/31/18/822673118.db2.gz IRARJXZLLMXXHY-YVEFUNNKSA-N 1 0 382.426 4.075 20 0 GIADRO CN1CCC[C@H](NC(=O)NC2CC[NH+](C3CCCCC3)CC2)c2ccccc21 ZINC000455550714 822673772 /nfs/dbraw/zinc/67/37/72/822673772.db2.gz JJCPNOFEXYCUFM-NRFANRHFSA-N 1 0 384.568 4.054 20 0 GIADRO C[C@@H](NC(=O)Nc1cc(F)cc(F)c1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000455554339 822674031 /nfs/dbraw/zinc/67/40/31/822674031.db2.gz PRIGCPUNRUOBAG-UKRRQHHQSA-N 1 0 377.410 4.136 20 0 GIADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1cc(F)cc(F)c1F ZINC000455563065 822675040 /nfs/dbraw/zinc/67/50/40/822675040.db2.gz IFPHSGRLLBVUCF-MRXNPFEDSA-N 1 0 392.425 4.017 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000455566043 822675514 /nfs/dbraw/zinc/67/55/14/822675514.db2.gz RGWVYBRSVYJZFH-UHFFFAOYSA-N 1 0 382.335 4.078 20 0 GIADRO O=C(NC1CC[NH+](C2CC2)CC1)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC000180402484 822675949 /nfs/dbraw/zinc/67/59/49/822675949.db2.gz UQHIZTMPEZGZBY-UHFFFAOYSA-N 1 0 395.469 4.221 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2cc(F)cc(F)c2F)[C@H]1c1cccs1 ZINC000455567793 822675976 /nfs/dbraw/zinc/67/59/76/822675976.db2.gz PIFXCPDEZOWSNU-DIFFPNOSSA-N 1 0 383.439 4.370 20 0 GIADRO Cc1nc(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c(-c2ccccc2)o1 ZINC000184684788 822676169 /nfs/dbraw/zinc/67/61/69/822676169.db2.gz ANVDYTIGCKEQCE-IBGZPJMESA-N 1 0 381.520 4.378 20 0 GIADRO CCCC[C@@H]1CCC[C@@H]1[NH2+]Cc1nc(C(C)(C)NC(=O)OC(C)(C)C)no1 ZINC000184696519 822678038 /nfs/dbraw/zinc/67/80/38/822678038.db2.gz BHGNKWCZXNYVMZ-CABCVRRESA-N 1 0 380.533 4.278 20 0 GIADRO COc1ccc(C[NH2+]Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)cc1OC ZINC000048681055 822678229 /nfs/dbraw/zinc/67/82/29/822678229.db2.gz XQLATZNMCPPHGN-UHFFFAOYSA-N 1 0 385.895 4.450 20 0 GIADRO O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)c1ncccc1C(F)(F)F ZINC000180430801 822680462 /nfs/dbraw/zinc/68/04/62/822680462.db2.gz GYQZOTMTBCHCKD-UHFFFAOYSA-N 1 0 393.409 4.217 20 0 GIADRO O=C(Nc1cccc(C2CC2)n1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000455597404 822681228 /nfs/dbraw/zinc/68/12/28/822681228.db2.gz CGWCFGNMZXBYPE-UHFFFAOYSA-N 1 0 390.531 4.479 20 0 GIADRO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCCn2ccnc2C)o1 ZINC000048750379 822681386 /nfs/dbraw/zinc/68/13/86/822681386.db2.gz APTBUEZHHYDBKR-UHFFFAOYSA-N 1 0 375.476 4.126 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]Cc2c(C)oc3ccccc32)c1 ZINC000184719913 822681569 /nfs/dbraw/zinc/68/15/69/822681569.db2.gz OQIKLAHPAFDGBW-AWEZNQCLSA-N 1 0 382.460 4.265 20 0 GIADRO Cc1cc([C@@H](C)[NH2+]C2CC(C(=O)OC(C)C)(C(=O)OC(C)C)C2)c(C)s1 ZINC000180440644 822682402 /nfs/dbraw/zinc/68/24/02/822682402.db2.gz WUQOSFMNKXWAML-CQSZACIVSA-N 1 0 381.538 4.068 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@H](c2ccccc2)C(F)F)CC1 ZINC000455604250 822682971 /nfs/dbraw/zinc/68/29/71/822682971.db2.gz UASCOSOGWBPKKR-HXUWFJFHSA-N 1 0 387.474 4.265 20 0 GIADRO Cc1ccccc1C1(C(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000180445007 822683142 /nfs/dbraw/zinc/68/31/42/822683142.db2.gz HTMSPBVIZDFNJR-UHFFFAOYSA-N 1 0 377.532 4.187 20 0 GIADRO COc1ccc(C(C)(C)C(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000180444599 822683206 /nfs/dbraw/zinc/68/32/06/822683206.db2.gz LZJJFQJARWEFFT-UHFFFAOYSA-N 1 0 395.547 4.133 20 0 GIADRO Cc1ccc2c(CC(=O)N(C)CCC3CCN(c4cc[nH+]cc4)CC3)c[nH]c2c1 ZINC000180444940 822683212 /nfs/dbraw/zinc/68/32/12/822683212.db2.gz VRRBTLRCXCERLX-UHFFFAOYSA-N 1 0 390.531 4.179 20 0 GIADRO COc1ccccc1SC[C@@H](C)C[NH2+][C@@H](C)c1cnc2cc(C)nn2c1C ZINC000180446844 822683601 /nfs/dbraw/zinc/68/36/01/822683601.db2.gz CZVKSSPTTUKZGL-HOCLYGCPSA-N 1 0 384.549 4.434 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1nc(Cl)ccc1Cl ZINC000180448104 822683847 /nfs/dbraw/zinc/68/38/47/822683847.db2.gz DCIHBWZPGDSGRA-UHFFFAOYSA-N 1 0 393.318 4.162 20 0 GIADRO C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 ZINC000180449344 822684263 /nfs/dbraw/zinc/68/42/63/822684263.db2.gz IGBPRDGBPZGACV-HXOBKFHXSA-N 1 0 395.524 4.106 20 0 GIADRO CC(=O)Nc1cccc(OCC[NH2+][C@H](C)c2ccc(F)cc2OC(F)F)c1 ZINC000180450959 822684544 /nfs/dbraw/zinc/68/45/44/822684544.db2.gz XHYPUURHFYDSRZ-GFCCVEGCSA-N 1 0 382.382 4.115 20 0 GIADRO COCc1cccc(CNC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)c1 ZINC000048826040 822684859 /nfs/dbraw/zinc/68/48/59/822684859.db2.gz FGRIMJNJZDSRHR-IBGZPJMESA-N 1 0 395.547 4.207 20 0 GIADRO CC1(C(=O)N2CCO[C@H](c3ccccc3F)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000184742920 822685007 /nfs/dbraw/zinc/68/50/07/822685007.db2.gz WMIPMKKIAFYJKN-QFIPXVFZSA-N 1 0 396.506 4.028 20 0 GIADRO CCOCc1ccc(CNC(=O)NCc2ccccc2C[N@H+](C)C(C)C)cc1 ZINC000048828822 822685095 /nfs/dbraw/zinc/68/50/95/822685095.db2.gz MJDMVJYOBDMDKD-UHFFFAOYSA-N 1 0 383.536 4.063 20 0 GIADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1ccccc1CSC ZINC000184750088 822685814 /nfs/dbraw/zinc/68/58/14/822685814.db2.gz MLUWCGCZJRDGQL-HXUWFJFHSA-N 1 0 398.576 4.463 20 0 GIADRO O=C(Nc1cccc(C2CC2)n1)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000455625618 822686033 /nfs/dbraw/zinc/68/60/33/822686033.db2.gz MJJLLZPIIRSUAM-HSZRJFAPSA-N 1 0 376.504 4.089 20 0 GIADRO CCc1cccc(C)c1NC(=O)CNC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000184755568 822686389 /nfs/dbraw/zinc/68/63/89/822686389.db2.gz DDWGWNXIAIBGCL-PMACEKPBSA-N 1 0 393.575 4.242 20 0 GIADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]Cc1sccc1Br ZINC000180480250 822688956 /nfs/dbraw/zinc/68/89/56/822688956.db2.gz XUXVUEHPAVIYMO-SECBINFHSA-N 1 0 388.718 4.066 20 0 GIADRO CSCc1ccccc1NC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000184774982 822689135 /nfs/dbraw/zinc/68/91/35/822689135.db2.gz NZICULPVJKFIDW-UHFFFAOYSA-N 1 0 384.549 4.254 20 0 GIADRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)Nc2cccc(C3CC3)n2)CC1 ZINC000455644971 822689903 /nfs/dbraw/zinc/68/99/03/822689903.db2.gz OLMUSQQWYKIUFZ-UHFFFAOYSA-N 1 0 378.520 4.335 20 0 GIADRO CC1(C(=O)N2CCC[C@@H](c3nccs3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000184784511 822690414 /nfs/dbraw/zinc/69/04/14/822690414.db2.gz XACIWEUASKCDLG-LJQANCHMSA-N 1 0 383.561 4.151 20 0 GIADRO CCC(C)(C)NC(=O)C[NH2+][C@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000184790364 822691414 /nfs/dbraw/zinc/69/14/14/822691414.db2.gz WFLXRTPWGCBARK-CYBMUJFWSA-N 1 0 375.538 4.083 20 0 GIADRO Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000180503346 822692215 /nfs/dbraw/zinc/69/22/15/822692215.db2.gz ICUNAJDJVORMML-DENIHFKCSA-N 1 0 394.563 4.033 20 0 GIADRO CC1(C(=O)NCCc2cc3ccccc3o2)CC[NH+](Cc2ccccc2)CC1 ZINC000184804926 822693174 /nfs/dbraw/zinc/69/31/74/822693174.db2.gz QPVJUWHRHATPPH-UHFFFAOYSA-N 1 0 376.500 4.394 20 0 GIADRO Cn1cc([C@@H]([NH2+]C[C@@H](O)c2ccc3ccccc3c2)c2cccc(F)c2)cn1 ZINC000180508997 822693496 /nfs/dbraw/zinc/69/34/96/822693496.db2.gz NEJDIAMSPMXVIF-PKTZIBPZSA-N 1 0 375.447 4.125 20 0 GIADRO CC(C)(C)OC(=O)NC1CCC([NH2+]C[C@H](O)c2ccc3ccccc3c2)CC1 ZINC000180508873 822693588 /nfs/dbraw/zinc/69/35/88/822693588.db2.gz MRPKMGGGUMAGIX-CBNMVNINSA-N 1 0 384.520 4.299 20 0 GIADRO C[NH+](C)CCN(CCCc1ccccc1)C(=O)Nc1ccc([C@H]2CCOC2)cc1 ZINC000455661128 822693946 /nfs/dbraw/zinc/69/39/46/822693946.db2.gz IOGJWUNWGDHJSG-QFIPXVFZSA-N 1 0 395.547 4.219 20 0 GIADRO Cc1cc(C(=O)NNc2cc[nH+]cc2)c(C)n1-c1ccccc1Br ZINC000180510245 822693988 /nfs/dbraw/zinc/69/39/88/822693988.db2.gz ULOLBTJRQSBTNL-UHFFFAOYSA-N 1 0 385.265 4.009 20 0 GIADRO C[NH+](C)CCn1nccc1NC(=O)N1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000455661303 822694066 /nfs/dbraw/zinc/69/40/66/822694066.db2.gz UGKOVBWTTYKFBD-GOSISDBHSA-N 1 0 389.931 4.247 20 0 GIADRO C[C@H](NC(=O)N[C@H](c1ccccc1)C(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000455664202 822694757 /nfs/dbraw/zinc/69/47/57/822694757.db2.gz YFSRSUXRDUJDGJ-PWIZWCRZSA-N 1 0 387.474 4.203 20 0 GIADRO CC(C)Oc1ccccc1[C@H](C)NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000049194654 822694780 /nfs/dbraw/zinc/69/47/80/822694780.db2.gz CIMSCXRQNBTVNE-YJBOKZPZSA-N 1 0 375.538 4.198 20 0 GIADRO CC(C)Oc1ccccc1[C@@H](C)NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000049194651 822694814 /nfs/dbraw/zinc/69/48/14/822694814.db2.gz CIMSCXRQNBTVNE-QAPCUYQASA-N 1 0 375.538 4.198 20 0 GIADRO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3C(F)(F)F)cc2)CC1 ZINC000184815333 822694834 /nfs/dbraw/zinc/69/48/34/822694834.db2.gz CQIVGJIPDQTRIA-UHFFFAOYSA-N 1 0 397.828 4.363 20 0 GIADRO Cc1nc(CN2CCC(C[NH2+][C@H](c3ccccc3)c3ccccn3)CC2)oc1C ZINC000180524103 822696013 /nfs/dbraw/zinc/69/60/13/822696013.db2.gz UDUXUJIIWSTVPX-XMMPIXPASA-N 1 0 390.531 4.278 20 0 GIADRO CSc1ccccc1C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000184830065 822696696 /nfs/dbraw/zinc/69/66/96/822696696.db2.gz WGOXEHRVFLANIC-INIZCTEOSA-N 1 0 382.451 4.460 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(OCC(F)F)c1)c1cccc(N2CCOC2=O)c1 ZINC000180529150 822696959 /nfs/dbraw/zinc/69/69/59/822696959.db2.gz YHFYGUPHIUHEDV-AWEZNQCLSA-N 1 0 376.403 4.138 20 0 GIADRO COc1ccc2oc([C@@H](C)[NH2+]CC(=O)N3CCc4sccc4C3)c(C)c2c1 ZINC000180529970 822697131 /nfs/dbraw/zinc/69/71/31/822697131.db2.gz QOHWPCDZWJOLBB-CQSZACIVSA-N 1 0 384.501 4.047 20 0 GIADRO C[C@H]([NH2+]CCc1cccc(C(N)=O)c1)c1ccc(SCC(F)(F)F)cc1 ZINC000180532315 822697406 /nfs/dbraw/zinc/69/74/06/822697406.db2.gz DZGDVZIFQITULF-ZDUSSCGKSA-N 1 0 382.451 4.333 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)Nc2cc3c(cn2)CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000455677172 822698335 /nfs/dbraw/zinc/69/83/35/822698335.db2.gz XJSJODGESRYTMM-LAUBAEHRSA-N 1 0 378.520 4.087 20 0 GIADRO COCC[C@@](C)(O)C[NH2+][C@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC000180557870 822702028 /nfs/dbraw/zinc/70/20/28/822702028.db2.gz VKAVZYYIXYFUMV-RBUKOAKNSA-N 1 0 396.300 4.055 20 0 GIADRO CCc1noc(-c2ccc(CC[NH2+][C@@H](C)Cc3ccc(OC)c(OC)c3)cc2)n1 ZINC000180560686 822702743 /nfs/dbraw/zinc/70/27/43/822702743.db2.gz GSCJGNNKZCRSGX-INIZCTEOSA-N 1 0 395.503 4.080 20 0 GIADRO CCC[C@@H]1C[C@H](C(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CCO1 ZINC000180566509 822703528 /nfs/dbraw/zinc/70/35/28/822703528.db2.gz DOWOOILKFLNWHO-AXVVYFOYSA-N 1 0 396.934 4.183 20 0 GIADRO CSCCCC[NH2+][C@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000180578109 822705488 /nfs/dbraw/zinc/70/54/88/822705488.db2.gz WSWDSMAUQRXZKX-HXUWFJFHSA-N 1 0 377.575 4.221 20 0 GIADRO CCN(CCC[NH+]1CCCC1)C(=O)Nc1c(C)ccc(F)c1Br ZINC000455698595 822705581 /nfs/dbraw/zinc/70/55/81/822705581.db2.gz RXPYEOGRUBYTRU-UHFFFAOYSA-N 1 0 386.309 4.236 20 0 GIADRO O[C@@H](C[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1)COc1cccc2[nH]ccc21 ZINC000180580856 822705968 /nfs/dbraw/zinc/70/59/68/822705968.db2.gz ZBBJXIUZRDUOAK-MAUKXSAKSA-N 1 0 396.384 4.330 20 0 GIADRO C[C@@H](C(=O)Nc1ccccc1NC1CC[NH+](C)CC1)c1cn(C)c2ccccc12 ZINC000184878817 822706050 /nfs/dbraw/zinc/70/60/50/822706050.db2.gz GRHXTZLPQCHNKY-QGZVFWFLSA-N 1 0 390.531 4.427 20 0 GIADRO CC(=O)Nc1ccc(C[N@@H+](Cc2ccccc2)C[C@H](O)c2ccsc2)cc1 ZINC000180583234 822706132 /nfs/dbraw/zinc/70/61/32/822706132.db2.gz BYNYRUMMBSRMDB-QFIPXVFZSA-N 1 0 380.513 4.442 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)N(C)[C@@H](C)c3ccc(F)cc3)c2)CC1 ZINC000184890089 822708086 /nfs/dbraw/zinc/70/80/86/822708086.db2.gz HHYKAFQUVOBHHY-KRWDZBQOSA-N 1 0 384.499 4.193 20 0 GIADRO Cc1c(Cl)cncc1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000455706590 822708374 /nfs/dbraw/zinc/70/83/74/822708374.db2.gz FLMMHYBLTUGBSN-AYHJJNSGSA-N 1 0 384.911 4.361 20 0 GIADRO CCOc1c(Cl)cc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)cc1OC ZINC000180601577 822709233 /nfs/dbraw/zinc/70/92/33/822709233.db2.gz GSESAOSGHFHCIC-WBVHZDCISA-N 1 0 379.884 4.428 20 0 GIADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2ccccc2OCCF)C1 ZINC000455709532 822709432 /nfs/dbraw/zinc/70/94/32/822709432.db2.gz CJPFVERYFDOMHQ-ROUUACIJSA-N 1 0 377.504 4.153 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1)C(=O)NC1CCCC1 ZINC000180603315 822709655 /nfs/dbraw/zinc/70/96/55/822709655.db2.gz LSPKLEHXPDWYQL-JKSUJKDBSA-N 1 0 397.494 4.176 20 0 GIADRO COc1cccc([C@@H](CNC(=O)N(C)[C@H](C)c2cc3ccccc3o2)[NH+](C)C)c1 ZINC000049798625 822710253 /nfs/dbraw/zinc/71/02/53/822710253.db2.gz UYBBVHAIRNVXBZ-OXQOHEQNSA-N 1 0 395.503 4.447 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)N[C@@H](c1ccco1)c1ccccc1)c1cccc(F)c1 ZINC000049798452 822710279 /nfs/dbraw/zinc/71/02/79/822710279.db2.gz CUTVFDSLPLUJIL-PZJWPPBQSA-N 1 0 381.451 4.110 20 0 GIADRO CCN(C(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C)[C@@H](C)c1cccc(OC)c1 ZINC000049798800 822710314 /nfs/dbraw/zinc/71/03/14/822710314.db2.gz QFQQDBRPPBINQP-HTAPYJJXSA-N 1 0 399.535 4.099 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)c1ccccc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000180605570 822710560 /nfs/dbraw/zinc/71/05/60/822710560.db2.gz JXUFQLGLFUQNNM-OPAMFIHVSA-N 1 0 378.447 4.462 20 0 GIADRO CC[C@H](c1ccncc1)N(CC)C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1 ZINC000184921018 822713352 /nfs/dbraw/zinc/71/33/52/822713352.db2.gz BNXPZKFMYGIQLY-JOCHJYFZSA-N 1 0 395.551 4.229 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)Nc1ccccc1OCCF ZINC000455723590 822713932 /nfs/dbraw/zinc/71/39/32/822713932.db2.gz MZICZULESOQBGI-SFHVURJKSA-N 1 0 385.483 4.163 20 0 GIADRO COc1cc(C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)cc(OC)c1OC ZINC000180620946 822714369 /nfs/dbraw/zinc/71/43/69/822714369.db2.gz SBHLCSNGRHTVHY-MSOLQXFVSA-N 1 0 389.492 4.174 20 0 GIADRO CCN(CC)C(=O)c1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000050026862 822714846 /nfs/dbraw/zinc/71/48/46/822714846.db2.gz AHVBBQSIKDMRPP-OAQYLSRUSA-N 1 0 393.531 4.019 20 0 GIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)Nc2nc(CC(F)(F)F)cs2)C1 ZINC000455734095 822716759 /nfs/dbraw/zinc/71/67/59/822716759.db2.gz XIMNOVNMWIPJCW-GXTWGEPZSA-N 1 0 398.454 4.205 20 0 GIADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Nc2cc(C)c(C)cc2Cl)[C@@H](C)C1 ZINC000455738134 822717417 /nfs/dbraw/zinc/71/74/17/822717417.db2.gz YSPYNOXHYWZCLQ-FUHWJXTLSA-N 1 0 381.948 4.215 20 0 GIADRO CC(C)[NH+]1CCC(NC(=O)Nc2ccc(OCc3ccccc3F)cc2)CC1 ZINC000050082984 822717877 /nfs/dbraw/zinc/71/78/77/822717877.db2.gz IDABBXWWHQYWJR-UHFFFAOYSA-N 1 0 385.483 4.399 20 0 GIADRO Cc1cc(Cl)c(NC(=O)NCc2ccncc2OCCC[NH+](C)C)cc1C ZINC000455750544 822719587 /nfs/dbraw/zinc/71/95/87/822719587.db2.gz RXQQCPZQIAIBDS-UHFFFAOYSA-N 1 0 390.915 4.004 20 0 GIADRO CCCn1ncc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1C1CC1 ZINC000455750923 822719590 /nfs/dbraw/zinc/71/95/90/822719590.db2.gz JXUFYHYWSPJHQO-YLJYHZDGSA-N 1 0 395.551 4.345 20 0 GIADRO CC(=O)c1cccc(OC[C@H](O)C[NH2+][C@@H](Cc2ccccc2)c2cccs2)c1 ZINC000184967384 822719650 /nfs/dbraw/zinc/71/96/50/822719650.db2.gz YGQZJRWCHDKZJT-IRLDBZIGSA-N 1 0 395.524 4.264 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2c(C)ccc(F)c2Br)C[C@H]1C ZINC000455753411 822720035 /nfs/dbraw/zinc/72/00/35/822720035.db2.gz PPCCFRIIDADIMB-OLZOCXBDSA-N 1 0 386.309 4.233 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)C[NH2+][C@H](Cc2ccccc2)c2cccs2)cc1 ZINC000184973506 822720132 /nfs/dbraw/zinc/72/01/32/822720132.db2.gz FGTFWXGAGKOIKB-HXUWFJFHSA-N 1 0 393.512 4.219 20 0 GIADRO Cc1csc2nc(C[NH2+][C@@H](Cc3ccccc3)c3cccs3)cc(=O)n12 ZINC000184973567 822720182 /nfs/dbraw/zinc/72/01/82/822720182.db2.gz NKISBVQEQJLMGA-KRWDZBQOSA-N 1 0 381.526 4.200 20 0 GIADRO CC1CC[NH+]([C@H](CNC(=O)N2CCC[C@H]2c2ccncc2)c2ccccc2)CC1 ZINC000050157080 822720473 /nfs/dbraw/zinc/72/04/73/822720473.db2.gz CSHLCMITAPCHLQ-XZOQPEGZSA-N 1 0 392.547 4.401 20 0 GIADRO COc1ccc(NC(=O)C[NH2+][C@H](Cc2ccccc2)c2cccs2)cc1OC ZINC000184997509 822723351 /nfs/dbraw/zinc/72/33/51/822723351.db2.gz LDRJRVSNWDSVKX-GOSISDBHSA-N 1 0 396.512 4.277 20 0 GIADRO Cc1nc(C(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)c(-c2ccccc2)o1 ZINC000185011169 822725080 /nfs/dbraw/zinc/72/50/80/822725080.db2.gz DPRJLKZYXWDOOM-GOSISDBHSA-N 1 0 389.499 4.387 20 0 GIADRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2sccc2Br)ccc1OC ZINC000185035001 822727672 /nfs/dbraw/zinc/72/76/72/822727672.db2.gz ZTJFUSCSXSHYQC-CYBMUJFWSA-N 1 0 395.322 4.490 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185056788 822730104 /nfs/dbraw/zinc/73/01/04/822730104.db2.gz SLUXCSCLLLFLEA-ZDUSSCGKSA-N 1 0 383.319 4.490 20 0 GIADRO CCCn1ncc(NC(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)c1C1CC1 ZINC000455820156 822731901 /nfs/dbraw/zinc/73/19/01/822731901.db2.gz BBBWSMNCPWFZET-LJQANCHMSA-N 1 0 375.561 4.049 20 0 GIADRO C[C@H]([NH2+]CCCc1nc(-c2ccccc2)no1)c1nc(-c2cccc(F)c2)no1 ZINC000185067511 822732046 /nfs/dbraw/zinc/73/20/46/822732046.db2.gz AIYFJNJNASJCNJ-AWEZNQCLSA-N 1 0 393.422 4.209 20 0 GIADRO CCc1cc2oc(=O)cc(C[N@H+](C)Cc3ccc(C(=O)NC)cc3)c2cc1Cl ZINC000050506875 822732270 /nfs/dbraw/zinc/73/22/70/822732270.db2.gz WSMMDWGAKAVNPW-UHFFFAOYSA-N 1 0 398.890 4.000 20 0 GIADRO CCCn1ncc(NC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)c1C1CC1 ZINC000455833658 822733771 /nfs/dbraw/zinc/73/37/71/822733771.db2.gz QBUYSRKEIZIHGB-FQEVSTJZSA-N 1 0 381.524 4.129 20 0 GIADRO Cc1ccc(-c2ccc(C[NH2+]Cc3cnc(N4CCOCC4)c(F)c3)s2)cc1 ZINC000185078518 822734034 /nfs/dbraw/zinc/73/40/34/822734034.db2.gz VLTOFOMVXVAWRJ-UHFFFAOYSA-N 1 0 397.519 4.384 20 0 GIADRO C[C@@H]1CN(c2cccc(F)c2)CCN1C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455847805 822736307 /nfs/dbraw/zinc/73/63/07/822736307.db2.gz JFGUJZDTZVTJQQ-OPAMFIHVSA-N 1 0 396.510 4.117 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(Cn2cccn2)c1)c1ccc(Br)cc1O ZINC000185094033 822736311 /nfs/dbraw/zinc/73/63/11/822736311.db2.gz OWQLIAKHNGZUJP-AWEZNQCLSA-N 1 0 386.293 4.250 20 0 GIADRO O=C(C1CC[NH+](Cc2c3c(ccc2O)oc2c3CCCC2)CC1)C(F)(F)F ZINC000185095765 822736469 /nfs/dbraw/zinc/73/64/69/822736469.db2.gz OTRFGEOXSSAAPS-UHFFFAOYSA-N 1 0 381.394 4.361 20 0 GIADRO C[C@@H]([NH2+]C1CCN(c2ccccc2)CC1)c1ccc(Br)cc1O ZINC000185104558 822737668 /nfs/dbraw/zinc/73/76/68/822737668.db2.gz YQIGCTHXXBZKFI-CQSZACIVSA-N 1 0 375.310 4.474 20 0 GIADRO COc1cc2c(cc1F)CC[C@H]2NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455858207 822738210 /nfs/dbraw/zinc/73/82/10/822738210.db2.gz PAQVANWSDDEMOB-UXHICEINSA-N 1 0 383.467 4.192 20 0 GIADRO CC(C)Oc1ncc(Cl)cc1NC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000455859345 822738380 /nfs/dbraw/zinc/73/83/80/822738380.db2.gz KSCFNFOJNUHMKA-UHFFFAOYSA-N 1 0 380.920 4.004 20 0 GIADRO CCc1ccc([C@H]2CN(C(=O)Nc3ccc4c(c3)CC[C@@H]4[NH+](C)C)CCO2)cc1 ZINC000455859790 822738540 /nfs/dbraw/zinc/73/85/40/822738540.db2.gz PYAOKNFAETVMHZ-XZOQPEGZSA-N 1 0 393.531 4.403 20 0 GIADRO CN(C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)[C@H](c1ncc[nH]1)c1ccccc1 ZINC000455859822 822738584 /nfs/dbraw/zinc/73/85/84/822738584.db2.gz QDBVYKBQUXJIMU-RTWAWAEBSA-N 1 0 389.503 4.212 20 0 GIADRO CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455863805 822739130 /nfs/dbraw/zinc/73/91/30/822739130.db2.gz SITPUFRRQHBXLX-ISKFKSNPSA-N 1 0 395.547 4.431 20 0 GIADRO Cc1csc([C@H](NC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C(F)(F)F)n1 ZINC000455865915 822739393 /nfs/dbraw/zinc/73/93/93/822739393.db2.gz UQIQOAFTLUHHNA-GJZGRUSLSA-N 1 0 398.454 4.426 20 0 GIADRO CSc1ccc([C@@H](CNC(=O)Nc2scnc2C(C)C)[NH+](C)C)cc1 ZINC000455867760 822739705 /nfs/dbraw/zinc/73/97/05/822739705.db2.gz PGVNRXFLFCVOPP-OAHLLOKOSA-N 1 0 378.567 4.413 20 0 GIADRO C[C@H](C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)c1cn(C)c2ccccc12 ZINC000185127120 822740468 /nfs/dbraw/zinc/74/04/68/822740468.db2.gz RTZOZKRUDQZVLJ-IBGZPJMESA-N 1 0 389.543 4.310 20 0 GIADRO CCCN(CCc1cccs1)C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185129494 822740603 /nfs/dbraw/zinc/74/06/03/822740603.db2.gz PGKOHWDHLQXCDF-QZTJIDSGSA-N 1 0 377.598 4.365 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N[C@H]3CCCN(c4ccccc4)C3)ccc21 ZINC000455876106 822741045 /nfs/dbraw/zinc/74/10/45/822741045.db2.gz BBTVTQGDABXGJE-UGKGYDQZSA-N 1 0 378.520 4.026 20 0 GIADRO CCSCc1ccc(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)cc1 ZINC000455891294 822743225 /nfs/dbraw/zinc/74/32/25/822743225.db2.gz IVQNWYVPXXPOJJ-YOFSQIOKSA-N 1 0 391.581 4.045 20 0 GIADRO O=C(NC1CC1)c1ccc(C[N@@H+](Cc2cccc(OC(F)F)c2)C2CC2)cc1 ZINC000050959539 822743268 /nfs/dbraw/zinc/74/32/68/822743268.db2.gz DROQGVVWLYIVAQ-UHFFFAOYSA-N 1 0 386.442 4.345 20 0 GIADRO COC(=O)C(C)(C)c1ccc(NC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)cc1 ZINC000455893068 822743686 /nfs/dbraw/zinc/74/36/86/822743686.db2.gz CIBBWJIELWHLFI-FQEVSTJZSA-N 1 0 395.503 4.330 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)NCc3cccc(Br)c3)ccc21 ZINC000455897005 822744293 /nfs/dbraw/zinc/74/42/93/822744293.db2.gz DMASQBBMAJYILL-SFHVURJKSA-N 1 0 388.309 4.320 20 0 GIADRO Cc1cc(NC(=O)c2ccc([C@H](C)C(F)(F)F)cc2)n(C2CC[NH+](C)CC2)n1 ZINC000455896365 822744328 /nfs/dbraw/zinc/74/43/28/822744328.db2.gz KSRDIIGQYFBEPQ-AWEZNQCLSA-N 1 0 394.441 4.376 20 0 GIADRO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]([C@@H](C)c2nnc(-c3cccc(C)c3)o2)C1 ZINC000051054415 822745067 /nfs/dbraw/zinc/74/50/67/822745067.db2.gz CQNRFEHCCUHGTI-LNLFQRSKSA-N 1 0 384.524 4.123 20 0 GIADRO C[C@@H](NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)c1cccc(-n2cccn2)c1 ZINC000455905475 822746283 /nfs/dbraw/zinc/74/62/83/822746283.db2.gz HNPQDHXVQKYMNY-OPAMFIHVSA-N 1 0 389.503 4.304 20 0 GIADRO CCc1ccc(NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)cc1OC ZINC000455907215 822746573 /nfs/dbraw/zinc/74/65/73/822746573.db2.gz NWECSTSRLBHLMZ-UHFFFAOYSA-N 1 0 381.520 4.386 20 0 GIADRO C[N@@H+](Cc1ccccc1N1CCCC1)C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000051120065 822746648 /nfs/dbraw/zinc/74/66/48/822746648.db2.gz CUDNIRABBZFYDT-FQEVSTJZSA-N 1 0 378.438 4.471 20 0 GIADRO C[C@H](c1nc(C2CC2)no1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000051127664 822746793 /nfs/dbraw/zinc/74/67/93/822746793.db2.gz WDXOHPDFWXHPMI-GOSISDBHSA-N 1 0 388.515 4.415 20 0 GIADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000185186017 822746986 /nfs/dbraw/zinc/74/69/86/822746986.db2.gz IJGMVWIFHFVWFM-IAGOWNOFSA-N 1 0 380.454 4.121 20 0 GIADRO C[N@H+](CCC(=O)N1CCc2ccccc21)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132597 822747194 /nfs/dbraw/zinc/74/71/94/822747194.db2.gz SZMFHYUTGMRYCI-XUZZJYLKSA-N 1 0 378.516 4.066 20 0 GIADRO Cc1ccc(CNC(=O)[C@H](C)[N@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)cc1 ZINC000051132912 822747249 /nfs/dbraw/zinc/74/72/49/822747249.db2.gz NVXXMEITQBLZOY-AJSBUHFISA-N 1 0 380.532 4.099 20 0 GIADRO O=C(CC[N@H+](Cc1ccco1)C1CCCC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000185190700 822747419 /nfs/dbraw/zinc/74/74/19/822747419.db2.gz MTPAZASBXYHVJP-UHFFFAOYSA-N 1 0 375.400 4.100 20 0 GIADRO CCN(C(=O)Cc1ccc(NCc2c[nH+]ccc2N(C)C)cc1)c1ccccc1 ZINC000185214775 822750161 /nfs/dbraw/zinc/75/01/61/822750161.db2.gz XJULKKGSZFLXQN-UHFFFAOYSA-N 1 0 388.515 4.355 20 0 GIADRO COc1ccc([C@H](OC)[C@H](C)NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)cc1 ZINC000455925219 822750549 /nfs/dbraw/zinc/75/05/49/822750549.db2.gz MXQPJKQVMNDDQO-ITEAAPOESA-N 1 0 397.519 4.142 20 0 GIADRO CC(C)O[C@@H]1C[C@H]([NH2+]Cc2cccc(NC(=O)NCc3ccncc3)c2)C1(C)C ZINC000185225321 822751507 /nfs/dbraw/zinc/75/15/07/822751507.db2.gz NKYHFHDCLYJLMI-LEWJYISDSA-N 1 0 396.535 4.085 20 0 GIADRO COc1ccc(CCCN(C)C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)cc1 ZINC000455935249 822752784 /nfs/dbraw/zinc/75/27/84/822752784.db2.gz RJEUWSANVKHVAD-QFIPXVFZSA-N 1 0 381.520 4.341 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CC[C@@H](Cc4ccc(F)cc4)C3)ccc21 ZINC000455935210 822752812 /nfs/dbraw/zinc/75/28/12/822752812.db2.gz RJEBPTLWTUQSSI-JTSKRJEESA-N 1 0 381.495 4.471 20 0 GIADRO CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000051267728 822752901 /nfs/dbraw/zinc/75/29/01/822752901.db2.gz GRTKONWBYRBOAR-AZUAARDMSA-N 1 0 387.568 4.105 20 0 GIADRO CC[C@H](NC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1)C(F)(F)F ZINC000455936815 822753141 /nfs/dbraw/zinc/75/31/41/822753141.db2.gz CWQURDZSGLYMBM-HNNXBMFYSA-N 1 0 393.837 4.275 20 0 GIADRO C[C@@H]1CC[C@H](C)N(C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)C1 ZINC000455940439 822753761 /nfs/dbraw/zinc/75/37/61/822753761.db2.gz HVQVNQVSTJICOT-CABCVRRESA-N 1 0 379.932 4.465 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)Nc2cccc(OC(F)F)c2)CC1 ZINC000051283476 822754174 /nfs/dbraw/zinc/75/41/74/822754174.db2.gz KUVNJOGAUWFRQQ-UHFFFAOYSA-N 1 0 390.434 4.074 20 0 GIADRO CC(C)COC[C@@H](NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)c1ccco1 ZINC000455945562 822755412 /nfs/dbraw/zinc/75/54/12/822755412.db2.gz WJLWLMJZRPTQPA-UXHICEINSA-N 1 0 385.508 4.364 20 0 GIADRO CC[C@@H](CSC)N(C)C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000455946273 822755741 /nfs/dbraw/zinc/75/57/41/822755741.db2.gz PPBSNDVYVHXOCN-HNNXBMFYSA-N 1 0 399.988 4.418 20 0 GIADRO C[C@H](CNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)COCc1ccccc1 ZINC000455948292 822756257 /nfs/dbraw/zinc/75/62/57/822756257.db2.gz YEVYDGGUZFBAPL-VGOFRKELSA-N 1 0 381.520 4.210 20 0 GIADRO CC[C@H]1CN(C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)CCS1 ZINC000455949345 822756414 /nfs/dbraw/zinc/75/64/14/822756414.db2.gz WHLNKGKOIRYWQE-INIZCTEOSA-N 1 0 397.972 4.172 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)NC3CCN(c4ccccc4)CC3)ccc21 ZINC000455949801 822756574 /nfs/dbraw/zinc/75/65/74/822756574.db2.gz ZFKSAIGFAVSFOS-QFIPXVFZSA-N 1 0 378.520 4.026 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)N2C[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000455950143 822756728 /nfs/dbraw/zinc/75/67/28/822756728.db2.gz XSAQTQBVOYBHSM-IYBDPMFKSA-N 1 0 391.943 4.467 20 0 GIADRO Cc1cccnc1/C=C/C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000185273036 822757901 /nfs/dbraw/zinc/75/79/01/822757901.db2.gz RMGYIBJSUPKWRU-XQBSKJPRSA-N 1 0 387.886 4.005 20 0 GIADRO COc1ccc(C(=O)C2CC[NH+](CCCOCCc3ccccc3)CC2)cc1 ZINC000051380323 822758145 /nfs/dbraw/zinc/75/81/45/822758145.db2.gz QFGJIXHCNBJOLI-UHFFFAOYSA-N 1 0 381.516 4.239 20 0 GIADRO O=C(Nc1ccc2cnccc2c1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000455971738 822759355 /nfs/dbraw/zinc/75/93/55/822759355.db2.gz ODAZSLZIHDHIKM-VXKWHMMOSA-N 1 0 386.499 4.221 20 0 GIADRO O=S1(=O)CCCN1c1cccc(C[NH2+]C2c3ccccc3-c3ccccc32)c1 ZINC000185294458 822760921 /nfs/dbraw/zinc/76/09/21/822760921.db2.gz CBYUFIVYUUWVEY-UHFFFAOYSA-N 1 0 390.508 4.086 20 0 GIADRO COc1ccc(C[C@H](C)C[NH2+]CCc2nc(C(F)(F)F)cs2)cc1F ZINC000185297349 822761434 /nfs/dbraw/zinc/76/14/34/822761434.db2.gz TVLAQNOZBGXARD-NSHDSACASA-N 1 0 376.419 4.321 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000174276603 822761598 /nfs/dbraw/zinc/76/15/98/822761598.db2.gz DGBFTOPIBGQHDG-UWWQBHOKSA-N 1 0 386.565 4.304 20 0 GIADRO C[C@H](c1ccc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1)C(F)(F)F ZINC000455987485 822762141 /nfs/dbraw/zinc/76/21/41/822762141.db2.gz CZWFMUBTNCCYEL-OAHLLOKOSA-N 1 0 391.437 4.394 20 0 GIADRO CC(C)C[C@H](C)C(=O)Nc1ccccc1N1CC[NH+](CCc2ccncc2)CC1 ZINC000185301731 822762281 /nfs/dbraw/zinc/76/22/81/822762281.db2.gz PYIONFZFKSDFFG-FQEVSTJZSA-N 1 0 394.563 4.067 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H]3C[C@H]3c3cccc(Cl)c3)nc2)CC1 ZINC000455998818 822764095 /nfs/dbraw/zinc/76/40/95/822764095.db2.gz JUEDDNFYNWLJJU-VQTJNVASSA-N 1 0 398.938 4.008 20 0 GIADRO C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000455998664 822764122 /nfs/dbraw/zinc/76/41/22/822764122.db2.gz QZYIDWCDBKCBCR-GUMYABAYSA-N 1 0 382.935 4.470 20 0 GIADRO O=[N+]([O-])c1ccc(C[NH2+]Cc2cc3c(c(Br)c2)OCO3)cc1Cl ZINC000185316664 822764899 /nfs/dbraw/zinc/76/48/99/822764899.db2.gz KZMMVVGEGWALMW-UHFFFAOYSA-N 1 0 399.628 4.029 20 0 GIADRO Cc1cnc([C@@H](NC(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C2CC2)s1 ZINC000174293365 822764923 /nfs/dbraw/zinc/76/49/23/822764923.db2.gz WKGUJBXGEFOTIP-PMACEKPBSA-N 1 0 398.576 4.209 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1oc(C)nc1C)c1ccc(C(F)(F)F)cc1 ZINC000174295376 822765603 /nfs/dbraw/zinc/76/56/03/822765603.db2.gz BGUOVUJOHHJHED-INIZCTEOSA-N 1 0 383.414 4.123 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc2c(c1)OCCCO2)c1cc(Br)ccc1O ZINC000185322982 822765885 /nfs/dbraw/zinc/76/58/85/822765885.db2.gz IIFHQVZIGWIHNJ-GFCCVEGCSA-N 1 0 378.266 4.167 20 0 GIADRO Cc1ccc(C(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c(C2CC2)n1 ZINC000456015303 822766794 /nfs/dbraw/zinc/76/67/94/822766794.db2.gz LMKRFUJKHFNITD-UHFFFAOYSA-N 1 0 389.543 4.396 20 0 GIADRO CC[C@@H](C)n1ncc(C(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)c1C1CC1 ZINC000185332524 822767339 /nfs/dbraw/zinc/76/73/39/822767339.db2.gz LBGBNPUTEMWUTK-VGOFRKELSA-N 1 0 394.563 4.372 20 0 GIADRO Cc1cc(C[NH2+]CC2(c3ccc(Cl)cc3)CCOCC2)ccc1-n1cncn1 ZINC000174302984 822767586 /nfs/dbraw/zinc/76/75/86/822767586.db2.gz ZHSKXGWLZSGIIS-UHFFFAOYSA-N 1 0 396.922 4.067 20 0 GIADRO CC[C@@H](NC(=O)NCCC[NH+](C(C)C)C(C)C)c1nc(C(F)(F)F)cs1 ZINC000174309553 822768838 /nfs/dbraw/zinc/76/88/38/822768838.db2.gz NLVXWGVIHWVAFB-CYBMUJFWSA-N 1 0 394.507 4.421 20 0 GIADRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)c1ccccc1C(F)(F)F)C1CC1 ZINC000185346442 822769129 /nfs/dbraw/zinc/76/91/29/822769129.db2.gz AKXCFBCVFVJDCE-LJQANCHMSA-N 1 0 376.422 4.346 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000185347980 822769209 /nfs/dbraw/zinc/76/92/09/822769209.db2.gz JIQQYUFNKUFTCD-CQSZACIVSA-N 1 0 390.528 4.054 20 0 GIADRO CC(C)Cn1ncc(C(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)c1C1CC1 ZINC000185349521 822769348 /nfs/dbraw/zinc/76/93/48/822769348.db2.gz RUFGBKUPNOGBDL-JOCHJYFZSA-N 1 0 394.563 4.057 20 0 GIADRO CC(=O)N1CC[C@H]([NH2+]Cc2ccc(Br)s2)c2ccc(F)cc2C1 ZINC000185363847 822772188 /nfs/dbraw/zinc/77/21/88/822772188.db2.gz IOXNZOLIPDGBEB-INIZCTEOSA-N 1 0 397.313 4.233 20 0 GIADRO Cc1cc(=O)n2nc(C[NH+]3CCC(Cc4ccc(C(C)C)cc4)CC3)sc2n1 ZINC000185365029 822772341 /nfs/dbraw/zinc/77/23/41/822772341.db2.gz BYSXPXQHPYTBNT-UHFFFAOYSA-N 1 0 396.560 4.038 20 0 GIADRO CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000051675952 822773268 /nfs/dbraw/zinc/77/32/68/822773268.db2.gz NNXAFOGSVMZIGP-RTWAWAEBSA-N 1 0 387.568 4.060 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)N(C)[C@@H](CO)c2ccc(Cl)cc2)cc1)C1CC1 ZINC000456071280 822774314 /nfs/dbraw/zinc/77/43/14/822774314.db2.gz FCYYMEGLYNOQGI-NRFANRHFSA-N 1 0 386.923 4.130 20 0 GIADRO CN(C(=O)c1ccc(C[NH+]2CCCCC2)cc1)[C@H](CO)c1ccc(Cl)cc1 ZINC000456086567 822776197 /nfs/dbraw/zinc/77/61/97/822776197.db2.gz YIWVZRHUMVQGDK-OAQYLSRUSA-N 1 0 386.923 4.132 20 0 GIADRO Cc1sc2[nH]c([C@@H](C)[NH2+][C@@H](C)c3ccc(-n4cccn4)cc3)nc(=O)c2c1C ZINC000174378509 822780635 /nfs/dbraw/zinc/78/06/35/822780635.db2.gz MTJTWCSSCLIHHY-UONOGXRCSA-N 1 0 393.516 4.199 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Nc1cnn(C(C)(C)C)c1)c1cccc(C(F)(F)F)c1 ZINC000185437564 822783669 /nfs/dbraw/zinc/78/36/69/822783669.db2.gz ZESYJIUVINKDKH-INIZCTEOSA-N 1 0 397.445 4.081 20 0 GIADRO COc1ccc(-c2cnc(CN(C)C[C@@H]3CC[N@H+](Cc4ccccc4)C3)o2)cc1 ZINC000174399411 822784391 /nfs/dbraw/zinc/78/43/91/822784391.db2.gz NOXBXLFRVPUZCG-FQEVSTJZSA-N 1 0 391.515 4.304 20 0 GIADRO COc1ccccc1-c1ccc(CN[C@H](C)c2nnnn2-c2ccccc2)cc1 ZINC000174400238 822784540 /nfs/dbraw/zinc/78/45/40/822784540.db2.gz ZBGIPADIZAFQAC-QGZVFWFLSA-N 1 0 385.471 4.189 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)c1cc(F)c(Br)cc1Cl ZINC000456160252 822785325 /nfs/dbraw/zinc/78/53/25/822785325.db2.gz BKGCPIIGVQZZPO-UHFFFAOYSA-N 1 0 379.701 4.092 20 0 GIADRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1ccccc1Oc1cccnc1 ZINC000051982587 822785506 /nfs/dbraw/zinc/78/55/06/822785506.db2.gz YKJHWFSVVKHWKV-UHFFFAOYSA-N 1 0 387.483 4.052 20 0 GIADRO Cc1ccccc1COc1cccc(CC(=O)NC(C)(C)CCC[NH+](C)C)c1 ZINC000456163356 822785566 /nfs/dbraw/zinc/78/55/66/822785566.db2.gz GIRXQQATFUNSJG-UHFFFAOYSA-N 1 0 382.548 4.353 20 0 GIADRO CC[C@@H](Cc1cccc(Br)c1)C(=O)NC(C)(C)CCC[NH+](C)C ZINC000456166269 822785685 /nfs/dbraw/zinc/78/56/85/822785685.db2.gz JIFKYJIRKYHRDM-INIZCTEOSA-N 1 0 383.374 4.254 20 0 GIADRO COCc1cccc(C[NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)c1 ZINC000174406641 822785939 /nfs/dbraw/zinc/78/59/39/822785939.db2.gz ZZFPCRMIIHMFDC-FQEVSTJZSA-N 1 0 375.896 4.334 20 0 GIADRO Clc1ccc(OC[C@@H]2CCCO2)c(C[NH2+]Cc2ccc(-n3cccn3)cc2)c1 ZINC000174406554 822785972 /nfs/dbraw/zinc/78/59/72/822785972.db2.gz DSHJLCVYWVNRND-NRFANRHFSA-N 1 0 397.906 4.373 20 0 GIADRO c1cnc(Oc2ccc(C[NH2+][C@@H](c3ccc4c(c3)OCCO4)C3CC3)cc2)cn1 ZINC000174408216 822786306 /nfs/dbraw/zinc/78/63/06/822786306.db2.gz OOQPZMWBBLBHCG-HSZRJFAPSA-N 1 0 389.455 4.281 20 0 GIADRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1O)c1ccc(Br)cc1Br ZINC000051998911 822786336 /nfs/dbraw/zinc/78/63/36/822786336.db2.gz QWRSOSHSXLBTIK-HERUPUMHSA-N 1 0 377.120 4.166 20 0 GIADRO CC[C@H](C)[N@H+](C)CCNC(=O)Nc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1 ZINC000174414477 822786945 /nfs/dbraw/zinc/78/69/45/822786945.db2.gz RLQLBMFNMCZRFI-JKSUJKDBSA-N 1 0 392.544 4.124 20 0 GIADRO Fc1ccc(-c2nc(CC[NH2+]Cc3ccc(Oc4cnccn4)cc3)co2)cc1 ZINC000174421228 822787736 /nfs/dbraw/zinc/78/77/36/822787736.db2.gz LZXQWAAWBCOKSN-UHFFFAOYSA-N 1 0 390.418 4.395 20 0 GIADRO CCOc1ccc(-c2nc(C)c(C(=O)NC(C)(C)CCC[NH+](C)C)s2)cc1 ZINC000456198793 822787854 /nfs/dbraw/zinc/78/78/54/822787854.db2.gz KFAQTZWSMPZXTO-UHFFFAOYSA-N 1 0 389.565 4.367 20 0 GIADRO COc1cc(C(=O)NC(C)(C)CCC[NH+](C)C)cc(Cl)c1OCC(C)C ZINC000456204274 822788005 /nfs/dbraw/zinc/78/80/05/822788005.db2.gz OFARJEOLSQRAGJ-UHFFFAOYSA-N 1 0 384.948 4.234 20 0 GIADRO COc1cc([C@@H](C)[NH2+]Cc2cc(O)cc(F)c2)ccc1OCc1ccncc1 ZINC000185472018 822788100 /nfs/dbraw/zinc/78/81/00/822788100.db2.gz BJBQYYJHDHTXBN-OAHLLOKOSA-N 1 0 382.435 4.365 20 0 GIADRO CC(C)(CO)CCC[NH2+]Cc1csc(-c2cccc(Br)c2)n1 ZINC000174426088 822788396 /nfs/dbraw/zinc/78/83/96/822788396.db2.gz LRSFURUVVDQQQY-UHFFFAOYSA-N 1 0 383.355 4.461 20 0 GIADRO O[C@H](C[NH2+]Cc1ccc(Oc2cnccn2)cc1)c1c(Cl)cccc1Cl ZINC000174427220 822788572 /nfs/dbraw/zinc/78/85/72/822788572.db2.gz QAWNILDCDAEYPO-QGZVFWFLSA-N 1 0 390.270 4.399 20 0 GIADRO O[C@@H]1CCC[C@@H](C[NH2+]Cc2csc(-c3cccc(Br)c3)n2)C1 ZINC000174428561 822788754 /nfs/dbraw/zinc/78/87/54/822788754.db2.gz IVVPWHIQCMSGRP-MLGOLLRUSA-N 1 0 381.339 4.213 20 0 GIADRO C[N@@H+](CC(=O)N1N=C(c2cc3ccccc3o2)C[C@@H]1c1ccco1)CC1CC1 ZINC000052128175 822790946 /nfs/dbraw/zinc/79/09/46/822790946.db2.gz ZXOREELZCIWBSU-GOSISDBHSA-N 1 0 377.444 4.045 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)c3ccc(CNC(=O)C(C)(C)C)cc3)ccc21 ZINC000456259161 822791003 /nfs/dbraw/zinc/79/10/03/822791003.db2.gz FBVWZOQXXKZIDK-OAQYLSRUSA-N 1 0 393.531 4.150 20 0 GIADRO O=C(NCc1ccc(C(F)F)cc1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000185499533 822791211 /nfs/dbraw/zinc/79/12/11/822791211.db2.gz HJRRUXQKAWTBIP-KRWDZBQOSA-N 1 0 377.435 4.244 20 0 GIADRO Cc1nccn1CCCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000174452844 822792011 /nfs/dbraw/zinc/79/20/11/822792011.db2.gz NTPPECUTUUSANV-UHFFFAOYSA-N 1 0 386.503 4.009 20 0 GIADRO CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000456272421 822792340 /nfs/dbraw/zinc/79/23/40/822792340.db2.gz YRXAENVQFKSKQN-SSKFGXFMSA-N 1 0 393.531 4.019 20 0 GIADRO O[C@H](C[C@@H]1COCC[N@@H+]1CC1CCC(C(F)(F)F)CC1)c1cccs1 ZINC000185521268 822793179 /nfs/dbraw/zinc/79/31/79/822793179.db2.gz OWZFUZDFLVCLFU-QDIHITRGSA-N 1 0 377.472 4.241 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(C3CC3)nc3onc(CC(C)(C)C)c32)C1 ZINC000174468472 822794370 /nfs/dbraw/zinc/79/43/70/822794370.db2.gz RNCAZUJAFXRIFB-OAHLLOKOSA-N 1 0 398.551 4.103 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)Cc3cc(F)ccc3Br)ccc21 ZINC000456292016 822794945 /nfs/dbraw/zinc/79/49/45/822794945.db2.gz ZGNCBONGDONMKS-GOSISDBHSA-N 1 0 391.284 4.318 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)Cc3coc(-c4ccc(F)cc4)n3)ccc21 ZINC000456291098 822794962 /nfs/dbraw/zinc/79/49/62/822794962.db2.gz YSIYDUNZNLHSSC-FQEVSTJZSA-N 1 0 379.435 4.211 20 0 GIADRO CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000456292755 822795091 /nfs/dbraw/zinc/79/50/91/822795091.db2.gz ZVFLUSWEGVJWFR-FQEVSTJZSA-N 1 0 390.487 4.072 20 0 GIADRO CC(C)Oc1ccc(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c(F)c1 ZINC000052267863 822795245 /nfs/dbraw/zinc/79/52/45/822795245.db2.gz QTYQRWZPPLOCNE-UHFFFAOYSA-N 1 0 385.483 4.399 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)C1(Cc2cccc(F)c2)CCC1 ZINC000185549202 822795541 /nfs/dbraw/zinc/79/55/41/822795541.db2.gz YSDSTUOTOANQKP-UHFFFAOYSA-N 1 0 380.507 4.319 20 0 GIADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Nc1c(C)cccc1C ZINC000174490472 822796140 /nfs/dbraw/zinc/79/61/40/822796140.db2.gz LYBYCXZFXVHKGH-UHFFFAOYSA-N 1 0 382.508 4.098 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccs2)C1 ZINC000174496386 822796923 /nfs/dbraw/zinc/79/69/23/822796923.db2.gz RJGSXWPPZIWXEQ-KRWDZBQOSA-N 1 0 394.544 4.015 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(-c3ccccc3)nc3cc(F)ccc32)C1 ZINC000174501172 822797497 /nfs/dbraw/zinc/79/74/97/822797497.db2.gz VZVFRDHVOKJYPB-KRWDZBQOSA-N 1 0 391.490 4.455 20 0 GIADRO CC[NH+](CC)CCSCC(=O)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000174502005 822797657 /nfs/dbraw/zinc/79/76/57/822797657.db2.gz WQQCJSPBPBUGCS-UHFFFAOYSA-N 1 0 391.562 4.014 20 0 GIADRO C[C@H]1CN(C(=O)c2cccc(-c3cscn3)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000456316368 822797722 /nfs/dbraw/zinc/79/77/22/822797722.db2.gz ABHZFQOWDQDRPT-GOSISDBHSA-N 1 0 391.540 4.404 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(Nc2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000052406946 822798267 /nfs/dbraw/zinc/79/82/67/822798267.db2.gz QRUOAJJKDNZOJF-UHFFFAOYSA-N 1 0 394.487 4.068 20 0 GIADRO Oc1cc(F)cc(C[NH2+]C2CCN(Cc3ccc(Br)cc3)CC2)c1 ZINC000185577532 822798433 /nfs/dbraw/zinc/79/84/33/822798433.db2.gz XXJFLYXBQRILQR-UHFFFAOYSA-N 1 0 393.300 4.048 20 0 GIADRO C[C@H]1CN(C(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000456331696 822799243 /nfs/dbraw/zinc/79/92/43/822799243.db2.gz KMYMBHYYOGYBRR-NEWSRXKRSA-N 1 0 382.470 4.336 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC=CC[C@@H]2c2nc3ccccc3s2)C1 ZINC000174519083 822800031 /nfs/dbraw/zinc/80/00/31/822800031.db2.gz IYAIPTVTGKQNPT-OKZBNKHCSA-N 1 0 383.561 4.146 20 0 GIADRO CCSc1cccc(CNc2ccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)cc2)c1 ZINC000185594364 822800318 /nfs/dbraw/zinc/80/03/18/822800318.db2.gz PDFRQIYZKBWWSY-LJQANCHMSA-N 1 0 383.561 4.108 20 0 GIADRO Cc1[nH]c2ccccc2c1C1CC[NH+](CC(=O)N2CCc3sccc3C2)CC1 ZINC000052458213 822800367 /nfs/dbraw/zinc/80/03/67/822800367.db2.gz MNLIKASSYVPLQN-UHFFFAOYSA-N 1 0 393.556 4.302 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cccnc2SCC2CCCCC2)C1 ZINC000174523307 822800578 /nfs/dbraw/zinc/80/05/78/822800578.db2.gz NDDOJRRKUJEAPY-SFHVURJKSA-N 1 0 375.582 4.168 20 0 GIADRO COc1ccc(N2CCC[N@@H+]([C@H](C)C(=O)Nc3ccccc3C(C)C)CC2)cc1 ZINC000052466396 822800835 /nfs/dbraw/zinc/80/08/35/822800835.db2.gz FSOZHGMGVHLPIU-LJQANCHMSA-N 1 0 395.547 4.358 20 0 GIADRO C[C@H]1CN(C(=O)CCc2cncc3ccccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000456348393 822800933 /nfs/dbraw/zinc/80/09/33/822800933.db2.gz VGHQMEVRTAKCQQ-HXUWFJFHSA-N 1 0 387.527 4.148 20 0 GIADRO CCC(CC)n1nc(C)cc1C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000456352587 822801450 /nfs/dbraw/zinc/80/14/50/822801450.db2.gz YGPNFXZNODXUDE-SFHVURJKSA-N 1 0 382.552 4.147 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)Nc1nnc(-c2ccsc2)s1 ZINC000052496285 822801643 /nfs/dbraw/zinc/80/16/43/822801643.db2.gz AMPRDNXWIUHQKN-UHFFFAOYSA-N 1 0 399.545 4.184 20 0 GIADRO COc1cc(C[NH2+]C[C@](C)(O)c2ccco2)ccc1OCc1ccc(F)cc1 ZINC000174530110 822801869 /nfs/dbraw/zinc/80/18/69/822801869.db2.gz YHHKPQQGNXIDIB-QFIPXVFZSA-N 1 0 385.435 4.004 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)Sc2cc(Cl)ccc2Cl)C1 ZINC000174530716 822801946 /nfs/dbraw/zinc/80/19/46/822801946.db2.gz XMJNCQQILYKLOB-CHWSQXEVSA-N 1 0 375.365 4.274 20 0 GIADRO CC(C)[NH+]1CCC(C(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000174537247 822802659 /nfs/dbraw/zinc/80/26/59/822802659.db2.gz AKWAHGDYVHVUOE-SFHVURJKSA-N 1 0 385.335 4.014 20 0 GIADRO CCc1cc2oc(=O)cc(C[N@H+](C)Cc3ccc(O)c(OC)c3)c2cc1Cl ZINC000174540956 822802926 /nfs/dbraw/zinc/80/29/26/822802926.db2.gz LNZRJBDUWGEPRN-UHFFFAOYSA-N 1 0 387.863 4.355 20 0 GIADRO Cc1onc(-c2ccccc2Cl)c1C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174541171 822802988 /nfs/dbraw/zinc/80/29/88/822802988.db2.gz MEKJWNIRYRYXII-MRXNPFEDSA-N 1 0 387.911 4.251 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1cccc(C)c1C ZINC000185620113 822803128 /nfs/dbraw/zinc/80/31/28/822803128.db2.gz QXYBLJINFJONKK-HIFRSBDPSA-N 1 0 396.457 4.357 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc(C)c(C)c1 ZINC000185620184 822803166 /nfs/dbraw/zinc/80/31/66/822803166.db2.gz ADEJSNJAJMZHSJ-HIFRSBDPSA-N 1 0 396.457 4.357 20 0 GIADRO COc1cc(C[NH2+][C@@H](C)Cc2c(C)nn(C)c2C)ccc1OCc1ccccc1 ZINC000174544531 822803266 /nfs/dbraw/zinc/80/32/66/822803266.db2.gz XLHIBJWJALIKOX-KRWDZBQOSA-N 1 0 393.531 4.345 20 0 GIADRO O=C(CCOc1ccccc1F)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000052554588 822803398 /nfs/dbraw/zinc/80/33/98/822803398.db2.gz OHUSTGBJJTUQHX-UHFFFAOYSA-N 1 0 390.886 4.029 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)N[C@H](CC(F)(F)F)c1ccccc1)c1ccc(F)cc1 ZINC000052555038 822803419 /nfs/dbraw/zinc/80/34/19/822803419.db2.gz XOTRJNJMZOETKW-MSOLQXFVSA-N 1 0 397.416 4.421 20 0 GIADRO CCCOc1ccc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1OCCC ZINC000174548195 822803639 /nfs/dbraw/zinc/80/36/39/822803639.db2.gz ZBZIGTJAWUTSNZ-SJLPKXTDSA-N 1 0 377.529 4.211 20 0 GIADRO CCN(Cc1ccncc1)C(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000052582165 822804253 /nfs/dbraw/zinc/80/42/53/822804253.db2.gz USCMOICVUJGJKM-JOCHJYFZSA-N 1 0 380.536 4.086 20 0 GIADRO CC(C)(C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccc(Br)cc1 ZINC000174554472 822804520 /nfs/dbraw/zinc/80/45/20/822804520.db2.gz SYPRYRVBUISNEZ-INIZCTEOSA-N 1 0 393.369 4.061 20 0 GIADRO C[NH+](C)[C@H](CNC(=S)Nc1cccc(Br)c1)c1cccs1 ZINC000052600035 822804700 /nfs/dbraw/zinc/80/47/00/822804700.db2.gz YDYRAFDMHZXWDX-CYBMUJFWSA-N 1 0 384.368 4.100 20 0 GIADRO O=C(c1csc(-c2ccc(Cl)s2)n1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174561472 822805154 /nfs/dbraw/zinc/80/51/54/822805154.db2.gz CEIAEGMXJWWUCO-CYBMUJFWSA-N 1 0 395.981 4.473 20 0 GIADRO O=C(c1cc2ccc(OC(F)(F)F)cc2[nH]1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000174561857 822805166 /nfs/dbraw/zinc/80/51/66/822805166.db2.gz PMTJQFKVKRWNMB-AWEZNQCLSA-N 1 0 395.425 4.015 20 0 GIADRO COc1ccc(O)c([C@H](C)[NH2+]CCC(=O)Nc2cc(C)c(Cl)cc2OC)c1 ZINC000185640260 822805610 /nfs/dbraw/zinc/80/56/10/822805610.db2.gz IJUUYXZWGWDDMD-ZDUSSCGKSA-N 1 0 392.883 4.051 20 0 GIADRO COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000185640472 822805770 /nfs/dbraw/zinc/80/57/70/822805770.db2.gz BPQOHSMPUWWNAX-GFCCVEGCSA-N 1 0 380.847 4.181 20 0 GIADRO COc1cc(C[NH2+][C@@H](C)CCc2cccn2C)ccc1OCc1c(C)noc1C ZINC000174567135 822805804 /nfs/dbraw/zinc/80/58/04/822805804.db2.gz YRWVINXWNFNDEO-INIZCTEOSA-N 1 0 397.519 4.328 20 0 GIADRO COc1cc(C[NH2+][C@H](C)CCc2cccn2C)ccc1OCc1c(C)noc1C ZINC000174567152 822805881 /nfs/dbraw/zinc/80/58/81/822805881.db2.gz YRWVINXWNFNDEO-MRXNPFEDSA-N 1 0 397.519 4.328 20 0 GIADRO CN(C(=O)[C@H](Cc1ccccc1)[NH2+]Cc1cnn(C(C)(C)C)c1)c1ccccc1 ZINC000174568514 822806126 /nfs/dbraw/zinc/80/61/26/822806126.db2.gz NXPMZJJOASKALH-QFIPXVFZSA-N 1 0 390.531 4.002 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccnc2Cl)cc1OCC ZINC000052659683 822806614 /nfs/dbraw/zinc/80/66/14/822806614.db2.gz FCGDHIWMZUJQPK-ZIAGYGMSSA-N 1 0 391.899 4.210 20 0 GIADRO COc1ccc(C)cc1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1ccccc1OC(F)F ZINC000052661742 822806779 /nfs/dbraw/zinc/80/67/79/822806779.db2.gz GFYMUVSFELWBIF-ZIAGYGMSSA-N 1 0 378.419 4.283 20 0 GIADRO C[NH+](C)Cc1ccccc1NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000052665874 822806894 /nfs/dbraw/zinc/80/68/94/822806894.db2.gz MTLOUHBOURMSMD-UHFFFAOYSA-N 1 0 397.482 4.248 20 0 GIADRO C[NH+](C)Cc1c2ccccc2oc1C(=O)N[C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000456449432 822807877 /nfs/dbraw/zinc/80/78/77/822807877.db2.gz LYWSAINLNDFXJF-OAHLLOKOSA-N 1 0 388.389 4.329 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cc(C)c(Cl)cc2OC)cc1F ZINC000052710587 822807950 /nfs/dbraw/zinc/80/79/50/822807950.db2.gz NUPGGPAKBZXKNU-CHWSQXEVSA-N 1 0 394.874 4.483 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2OC(F)F)cc1F ZINC000052710597 822808044 /nfs/dbraw/zinc/80/80/44/822808044.db2.gz QLXOTCYSBVRSLU-RYUDHWBXSA-N 1 0 382.382 4.114 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)CCSc2ccccc2F)CC1 ZINC000052737433 822808953 /nfs/dbraw/zinc/80/89/53/822808953.db2.gz JWYXJKBUIFJQTP-UHFFFAOYSA-N 1 0 387.524 4.089 20 0 GIADRO Cc1ccccc1C(=O)NC1CC[NH+](Cc2cc(F)cc3cccnc32)CC1 ZINC000052747622 822809334 /nfs/dbraw/zinc/80/93/34/822809334.db2.gz SWMHGJLCHSDYER-UHFFFAOYSA-N 1 0 377.463 4.077 20 0 GIADRO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@H](C)c2cccc(N3CCCC3)c2)cc1 ZINC000185691725 822810598 /nfs/dbraw/zinc/81/05/98/822810598.db2.gz HLNDWRYRFNOKDS-RBUKOAKNSA-N 1 0 386.561 4.108 20 0 GIADRO CC1CC[NH+](C[C@H]2CCCN(C(=O)NCc3ccc(C(F)F)cc3)C2)CC1 ZINC000185694293 822810781 /nfs/dbraw/zinc/81/07/81/822810781.db2.gz RIEZEXDQYFMTGI-GOSISDBHSA-N 1 0 379.495 4.278 20 0 GIADRO COc1cc(Cl)c(C[NH2+]C2CCC(O)(c3cccnc3)CC2)cc1Cl ZINC000185703800 822811965 /nfs/dbraw/zinc/81/19/65/822811965.db2.gz YAAFKGDZPJSDAN-UHFFFAOYSA-N 1 0 381.303 4.317 20 0 GIADRO CC(C)[C@H](CNC(=O)c1cccc(NC(=O)c2ccco2)c1)[NH+]1CCC(C)CC1 ZINC000052822804 822811973 /nfs/dbraw/zinc/81/19/73/822811973.db2.gz ILESMSYZPJHDFB-FQEVSTJZSA-N 1 0 397.519 4.018 20 0 GIADRO CC(C)[C@H](NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000174608411 822811990 /nfs/dbraw/zinc/81/19/90/822811990.db2.gz WKEAXLOUVAZNMZ-ROUUACIJSA-N 1 0 381.442 4.058 20 0 GIADRO CS(=O)(=O)c1cccc([C@H]([NH2+]C2CCCCC2)c2ccc(F)c(F)c2)c1 ZINC000174622885 822813772 /nfs/dbraw/zinc/81/37/72/822813772.db2.gz WBZKNZRKOULKRK-FQEVSTJZSA-N 1 0 379.472 4.380 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCN(c2ncccc2Cl)C1)c1cc(Br)ccc1O ZINC000185717840 822813807 /nfs/dbraw/zinc/81/38/07/822813807.db2.gz GPPWKXUAWAAZGX-YPMHNXCESA-N 1 0 396.716 4.133 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1c(C)nn(C(C)(C)C)c1C)c1ccsc1 ZINC000052877858 822813905 /nfs/dbraw/zinc/81/39/05/822813905.db2.gz ORMRGDFMIHWIFY-KRWDZBQOSA-N 1 0 376.570 4.129 20 0 GIADRO C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000174625305 822814257 /nfs/dbraw/zinc/81/42/57/822814257.db2.gz PBKLIGDEAJFOKS-ROUUACIJSA-N 1 0 393.531 4.119 20 0 GIADRO CC(C)(C)[C@@H](NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000174629257 822814478 /nfs/dbraw/zinc/81/44/78/822814478.db2.gz MGJUIABHWONMLL-MSOLQXFVSA-N 1 0 395.469 4.448 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)N[C@@H](c2nc(C)cs2)C2CC2)cc1 ZINC000174632980 822814995 /nfs/dbraw/zinc/81/49/95/822814995.db2.gz MYHYYUAMLOYHHU-LJQANCHMSA-N 1 0 386.565 4.244 20 0 GIADRO Cc1ccc(NC(=O)[C@H](C)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(Cl)c1 ZINC000185729326 822815390 /nfs/dbraw/zinc/81/53/90/822815390.db2.gz WQUJTIJUZDUTFL-YESZJQIVSA-N 1 0 377.960 4.218 20 0 GIADRO Cc1nc(-c2ccc(C[NH2+]Cc3ccc(N4CCOCC4)cc3)cc2)cs1 ZINC000052916017 822815735 /nfs/dbraw/zinc/81/57/35/822815735.db2.gz WVDRTWKSKLNCDF-UHFFFAOYSA-N 1 0 379.529 4.245 20 0 GIADRO C[NH+](C)[C@H]1Cc2ccccc2N(C(=O)c2cnc(Cc3ccccc3F)s2)C1 ZINC000185741887 822816740 /nfs/dbraw/zinc/81/67/40/822816740.db2.gz KBIVCAALTXARAT-KRWDZBQOSA-N 1 0 395.503 4.006 20 0 GIADRO COc1ccc([C@@H]([NH2+]C2CCN(C(C)=O)CC2)c2ccccc2Cl)c(C)c1 ZINC000174644226 822816797 /nfs/dbraw/zinc/81/67/97/822816797.db2.gz OOYAQHLHTJEOMI-JOCHJYFZSA-N 1 0 386.923 4.347 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1ccc(-c2cncnc2)cc1F ZINC000185743613 822816838 /nfs/dbraw/zinc/81/68/38/822816838.db2.gz HXFGKQOTSDDOEF-UHFFFAOYSA-N 1 0 390.462 4.173 20 0 GIADRO C[C@@H](NCC(=O)N[C@@H](C)c1ccc2ccccc2c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185744365 822816986 /nfs/dbraw/zinc/81/69/86/822816986.db2.gz OIUIXPSXFAIGIC-SELNLUPBSA-N 1 0 393.575 4.260 20 0 GIADRO Cc1ccc(Cc2cnc(NC(=O)N(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)s2)cc1F ZINC000174647609 822817209 /nfs/dbraw/zinc/81/72/09/822817209.db2.gz PPKNHMPEVNZJAM-GDBMZVCRSA-N 1 0 390.528 4.128 20 0 GIADRO C[C@H]1CCN(C(=O)NCc2nc3ccccc3s2)CC[N@@H+]1Cc1ccccc1 ZINC000174649060 822817499 /nfs/dbraw/zinc/81/74/99/822817499.db2.gz HZKJHMJWZHGHQR-KRWDZBQOSA-N 1 0 394.544 4.102 20 0 GIADRO O=C(c1ccc(Br)cc1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000052994034 822818017 /nfs/dbraw/zinc/81/80/17/822818017.db2.gz FYVSLCKTTVKHOO-UHFFFAOYSA-N 1 0 379.342 4.177 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1ccc(-n2cc[nH]c2=S)cc1 ZINC000053016726 822818784 /nfs/dbraw/zinc/81/87/84/822818784.db2.gz FVOVWMJVDLLWRK-UHFFFAOYSA-N 1 0 394.544 4.305 20 0 GIADRO Cc1nc(-c2ccccc2)sc1CNC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000174657167 822819320 /nfs/dbraw/zinc/81/93/20/822819320.db2.gz MLVRONJYKPUJTA-SFHVURJKSA-N 1 0 386.565 4.134 20 0 GIADRO CCOc1ccc(-c2nc(CN[C@@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)co2)cc1 ZINC000185768132 822819355 /nfs/dbraw/zinc/81/93/55/822819355.db2.gz SAOZRQZTVLBGEO-HKUYNNGSSA-N 1 0 383.536 4.483 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1cc(COc2ccccc2F)on1 ZINC000185778029 822820349 /nfs/dbraw/zinc/82/03/49/822820349.db2.gz UQBPVNFVFPDLRB-UHFFFAOYSA-N 1 0 383.423 4.015 20 0 GIADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H](C)c2cn(C)c3ccccc23)CC1 ZINC000185787294 822821207 /nfs/dbraw/zinc/82/12/07/822821207.db2.gz FNIIEINLTJOUBQ-ZWKOTPCHSA-N 1 0 390.531 4.019 20 0 GIADRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)[C@@H]1CC=CC[C@@H]1c1nc3ccccc3s1)C2 ZINC000174673643 822821713 /nfs/dbraw/zinc/82/17/13/822821713.db2.gz HRCVPZZAUBDRTN-XWTMOSNGSA-N 1 0 381.545 4.041 20 0 GIADRO C[C@H](C(=O)NC1CC[NH+](C2CCC2)CC1)c1cccc(C(=O)c2ccccc2)c1 ZINC000456681969 822822207 /nfs/dbraw/zinc/82/22/07/822822207.db2.gz IZEJQMGUIMLWHV-SFHVURJKSA-N 1 0 390.527 4.154 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)c2cc(-c3cccc(Cl)c3)on2)CC1 ZINC000053121173 822822679 /nfs/dbraw/zinc/82/26/79/822822679.db2.gz CYFUYIPLSWEAHT-UHFFFAOYSA-N 1 0 375.900 4.187 20 0 GIADRO C[NH+]1CCN(Cc2cccc(C(=O)Nc3ccccc3OC3CCCC3)c2)CC1 ZINC000174685200 822823222 /nfs/dbraw/zinc/82/32/22/822823222.db2.gz PRKVJMIUWLXDSV-UHFFFAOYSA-N 1 0 393.531 4.008 20 0 GIADRO O=C(COc1cc(Cl)c(Cl)cc1Cl)NC1CC[NH+](C2CCC2)CC1 ZINC000456692064 822823245 /nfs/dbraw/zinc/82/32/45/822823245.db2.gz FCHDOGZXAJORPU-UHFFFAOYSA-N 1 0 391.726 4.159 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000456693311 822823396 /nfs/dbraw/zinc/82/33/96/822823396.db2.gz GLCAJSUCADSPCW-UHFFFAOYSA-N 1 0 375.925 4.210 20 0 GIADRO Cc1ncc(C[N@H+](C)CCC(=O)N[C@@H](c2cccs2)c2ccccc2)s1 ZINC000053145647 822823510 /nfs/dbraw/zinc/82/35/10/822823510.db2.gz OSGXFJZVULOGGJ-HXUWFJFHSA-N 1 0 385.558 4.241 20 0 GIADRO Cc1ncc(C[N@H+](C)CCC(=O)NC(c2ccccc2)c2ccccc2)s1 ZINC000053145608 822823563 /nfs/dbraw/zinc/82/35/63/822823563.db2.gz IIFBVDHPDQGYGC-UHFFFAOYSA-N 1 0 379.529 4.179 20 0 GIADRO C[NH+]1CCC(Nc2ccccc2NC(=O)[C@@H]2C[C@@]23CCCc2ccccc23)CC1 ZINC000174694620 822824368 /nfs/dbraw/zinc/82/43/68/822824368.db2.gz SZWTXKDFXKZULT-SQJMNOBHSA-N 1 0 389.543 4.425 20 0 GIADRO C[NH+]1CCC(Nc2ccccc2NC(=O)[C@H]2C[C@@]23CCc2ccccc23)CC1 ZINC000174694695 822824474 /nfs/dbraw/zinc/82/44/74/822824474.db2.gz RKOHKOOMOMYJNO-HYBUGGRVSA-N 1 0 375.516 4.035 20 0 GIADRO CCCOc1ccc(C(=O)N(CC(C)C)C2CC[NH+](C)CC2)cc1OCCC ZINC000053223149 822826638 /nfs/dbraw/zinc/82/66/38/822826638.db2.gz ZIDJAZYFQVAXBH-UHFFFAOYSA-N 1 0 390.568 4.457 20 0 GIADRO Cc1ccc2[nH]c(C(=O)Nc3ccc(C)c(NC(=O)CC[NH+](C)C)c3)cc2c1C ZINC000185850123 822827258 /nfs/dbraw/zinc/82/72/58/822827258.db2.gz JOMMUDBWROTTSA-UHFFFAOYSA-N 1 0 392.503 4.236 20 0 GIADRO COc1ccc([C@@H](CNC(=O)N(C)[C@@H](C)c2ccc(F)cc2)[NH+]2CCCC2)cc1 ZINC000053235543 822827404 /nfs/dbraw/zinc/82/74/04/822827404.db2.gz YKDQSSJQNTWXOU-HTAPYJJXSA-N 1 0 399.510 4.374 20 0 GIADRO Cc1nc(COc2cccc(C(=O)NCC(C)(C)[NH+]3CCCCC3)c2)cs1 ZINC000053267641 822828630 /nfs/dbraw/zinc/82/86/30/822828630.db2.gz NAEMCVUGKKUYKA-UHFFFAOYSA-N 1 0 387.549 4.025 20 0 GIADRO O=C(CSc1ccc(F)c(F)c1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000053273336 822828699 /nfs/dbraw/zinc/82/86/99/822828699.db2.gz KLDQWPDPWDMEAF-INIZCTEOSA-N 1 0 382.501 4.072 20 0 GIADRO O=C(c1ccc(Oc2ccccc2Cl)nc1)N1CC[NH+](C2CCCC2)CC1 ZINC000053294379 822829555 /nfs/dbraw/zinc/82/95/55/822829555.db2.gz WBUJRPYLMQIPEA-UHFFFAOYSA-N 1 0 385.895 4.228 20 0 GIADRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)CCc2ncc(-c3ccccc3)o2)C1 ZINC000053302217 822829676 /nfs/dbraw/zinc/82/96/76/822829676.db2.gz PDNIJPANQLAVSJ-ROUUACIJSA-N 1 0 383.536 4.147 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)c2ccc(F)c(F)c2)CC1 ZINC000456776036 822830265 /nfs/dbraw/zinc/83/02/65/822830265.db2.gz DTXOGFNBRTYAOJ-UHFFFAOYSA-N 1 0 380.822 4.344 20 0 GIADRO CC(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)s1 ZINC000456789000 822831044 /nfs/dbraw/zinc/83/10/44/822831044.db2.gz UBDLNBALXIISMK-UHFFFAOYSA-N 1 0 392.908 4.329 20 0 GIADRO CC[C@@H](NC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1)c1nc(C(F)(F)F)cs1 ZINC000174744236 822831351 /nfs/dbraw/zinc/83/13/51/822831351.db2.gz DPCRUOBRSGTFLI-CHWSQXEVSA-N 1 0 392.491 4.033 20 0 GIADRO CC[C@H](NC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1)c1nc(C)cs1 ZINC000174762672 822834001 /nfs/dbraw/zinc/83/40/01/822834001.db2.gz JFCUZJKOXKAERV-MJGOQNOKSA-N 1 0 386.565 4.209 20 0 GIADRO Cc1cc(Oc2ncccn2)ccc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000174796577 822838133 /nfs/dbraw/zinc/83/81/33/822838133.db2.gz XTONGOCSRBJZAB-MSOLQXFVSA-N 1 0 395.507 4.056 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=S)Nc1ccc2c(c1)CCC2 ZINC000053516114 822838277 /nfs/dbraw/zinc/83/82/77/822838277.db2.gz ORNRATVZIXNOEZ-UHFFFAOYSA-N 1 0 380.561 4.044 20 0 GIADRO CCOc1ccc(CN(C)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000053524067 822838752 /nfs/dbraw/zinc/83/87/52/822838752.db2.gz SJXDVXHFDHGQHZ-FQEVSTJZSA-N 1 0 385.508 4.047 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=S)Nc2ccc(OC(F)F)cc2)C1 ZINC000053528958 822839282 /nfs/dbraw/zinc/83/92/82/822839282.db2.gz MSRYANAYOGMJBF-PBHICJAKSA-N 1 0 391.487 4.410 20 0 GIADRO CCN(Cc1ccc(Cl)s1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000053534661 822839470 /nfs/dbraw/zinc/83/94/70/822839470.db2.gz YGPCRJJXOJHAMJ-OAHLLOKOSA-N 1 0 381.929 4.363 20 0 GIADRO CC1CC[NH+]([C@@H](CNC(=O)N(C)Cc2cccs2)c2cccs2)CC1 ZINC000053537103 822839571 /nfs/dbraw/zinc/83/95/71/822839571.db2.gz AYDFVBQTAVASPG-KRWDZBQOSA-N 1 0 377.579 4.424 20 0 GIADRO COc1cc(Br)c(C[NH2+][C@@H](C)c2cc(C)ccc2O)cc1OC ZINC000185984999 822841200 /nfs/dbraw/zinc/84/12/00/822841200.db2.gz JKMSWVHOTYAKLN-LBPRGKRZSA-N 1 0 380.282 4.331 20 0 GIADRO COC(=O)CC[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1O)c1ccccc1 ZINC000185999696 822842538 /nfs/dbraw/zinc/84/25/38/822842538.db2.gz COXIPLONBQKWIT-SUMWQHHRSA-N 1 0 392.293 4.500 20 0 GIADRO C[N@H+](Cc1csc(-c2ccccn2)n1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000174828471 822842755 /nfs/dbraw/zinc/84/27/55/822842755.db2.gz QUMFCASJEMFNDC-UHFFFAOYSA-N 1 0 388.537 4.036 20 0 GIADRO CCN(CC)C(=O)c1ccc(NC(=O)C[NH2+][C@@H](c2ccccc2)C(C)(C)C)cc1 ZINC000053618006 822842847 /nfs/dbraw/zinc/84/28/47/822842847.db2.gz KKZWTEWOMKANPG-QFIPXVFZSA-N 1 0 395.547 4.484 20 0 GIADRO CC[C@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1cccc(Cl)c1 ZINC000186030981 822845294 /nfs/dbraw/zinc/84/52/94/822845294.db2.gz DBIGHOXQBZDQHG-IBGZPJMESA-N 1 0 378.925 4.121 20 0 GIADRO Cc1c2ccccc2oc1[C@@H](C)[NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1 ZINC000186035938 822845952 /nfs/dbraw/zinc/84/59/52/822845952.db2.gz CFHVPPPGBNONFL-MRXNPFEDSA-N 1 0 384.501 4.132 20 0 GIADRO Cc1nc2ccccc2n1CC(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000053722071 822846158 /nfs/dbraw/zinc/84/61/58/822846158.db2.gz LIBRGOBJWGECJO-QGZVFWFLSA-N 1 0 376.504 4.358 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1cccc(C(F)(F)F)c1 ZINC000186039855 822846419 /nfs/dbraw/zinc/84/64/19/822846419.db2.gz VVHGYUOYERSQDL-AWEZNQCLSA-N 1 0 398.450 4.096 20 0 GIADRO Cc1[nH]c2ccccc2c1C1CC[NH+](Cc2cc(=O)n3cccc(C)c3n2)CC1 ZINC000053743000 822846772 /nfs/dbraw/zinc/84/67/72/822846772.db2.gz JQQBLCDAFRORPN-UHFFFAOYSA-N 1 0 386.499 4.172 20 0 GIADRO CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)c1nc(C(F)(F)F)cs1 ZINC000174855897 822846897 /nfs/dbraw/zinc/84/68/97/822846897.db2.gz YAOVCMDYECXZTI-TZMCWYRMSA-N 1 0 377.476 4.240 20 0 GIADRO COc1ccc(N2CCC[N@@H+]([C@@H](C)c3nnc(-c4ccc(C)cc4)o3)CC2)cc1 ZINC000053773562 822847555 /nfs/dbraw/zinc/84/75/55/822847555.db2.gz IYJHHJIBXFJDBX-SFHVURJKSA-N 1 0 392.503 4.327 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1ncc(-c2ccccc2)cn1)CC3 ZINC000186055721 822847632 /nfs/dbraw/zinc/84/76/32/822847632.db2.gz ATYAYZAAKZKTKY-GOSISDBHSA-N 1 0 384.483 4.281 20 0 GIADRO CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]Cc1ncc(-c2ccccc2)cn1 ZINC000186056970 822847886 /nfs/dbraw/zinc/84/78/86/822847886.db2.gz MLJPYKZLMBUXME-FQEVSTJZSA-N 1 0 377.488 4.272 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H](C)c1cccc(O)c1 ZINC000174868716 822848833 /nfs/dbraw/zinc/84/88/33/822848833.db2.gz HRSRXOGHOJEJQD-ICSRJNTNSA-N 1 0 381.520 4.007 20 0 GIADRO CC(C)O[C@@H](C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)c1ccccc1 ZINC000457069668 822849793 /nfs/dbraw/zinc/84/97/93/822849793.db2.gz NZNNELXFDXZJKK-GOSISDBHSA-N 1 0 386.458 4.028 20 0 GIADRO CN(C(=O)c1ccc(-c2ccccc2)o1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457070497 822849972 /nfs/dbraw/zinc/84/99/72/822849972.db2.gz OSECCVOPRVDMET-UHFFFAOYSA-N 1 0 380.410 4.435 20 0 GIADRO CN(C(=O)c1ccc(Cl)c2ncccc12)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457073168 822850124 /nfs/dbraw/zinc/85/01/24/822850124.db2.gz SRYZNYASSQJDPB-UHFFFAOYSA-N 1 0 399.844 4.377 20 0 GIADRO Cc1oc(-c2ccccc2)nc1C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457077473 822850592 /nfs/dbraw/zinc/85/05/92/822850592.db2.gz CTHZHXHNHPOXEU-UHFFFAOYSA-N 1 0 395.425 4.139 20 0 GIADRO Cc1cnc([C@@H](NC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)C2CC2)s1 ZINC000174889138 822851180 /nfs/dbraw/zinc/85/11/80/822851180.db2.gz CQUHJSWKIOGIMA-YJBOKZPZSA-N 1 0 386.565 4.331 20 0 GIADRO Cc1cccc(CSCC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000457083737 822851234 /nfs/dbraw/zinc/85/12/34/822851234.db2.gz KOBHLMXVDRDNFE-UHFFFAOYSA-N 1 0 388.499 4.103 20 0 GIADRO C[C@H](Cc1ccc(Cl)cc1)C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457083793 822851241 /nfs/dbraw/zinc/85/12/41/822851241.db2.gz KXZTYCLOMGNFTR-CQSZACIVSA-N 1 0 390.877 4.394 20 0 GIADRO CN(C(=O)C1(c2ccc(Cl)cc2)CC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457085154 822851547 /nfs/dbraw/zinc/85/15/47/822851547.db2.gz MHECDYHBWJULQH-UHFFFAOYSA-N 1 0 388.861 4.247 20 0 GIADRO Cc1cc(F)cc2[nH]c(C(=O)N(C)C3CC[NH+](CCC(F)(F)F)CC3)cc21 ZINC000457085192 822851665 /nfs/dbraw/zinc/85/16/65/822851665.db2.gz MRKJAHUTVQASFQ-UHFFFAOYSA-N 1 0 385.405 4.104 20 0 GIADRO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000186100324 822851749 /nfs/dbraw/zinc/85/17/49/822851749.db2.gz QOHRTLKVSYINIX-KBPBESRZSA-N 1 0 387.423 4.098 20 0 GIADRO CC[C@@H](C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)c1ccc(OC)cc1 ZINC000457087610 822851969 /nfs/dbraw/zinc/85/19/69/822851969.db2.gz QHRBKASLCRVCBH-GOSISDBHSA-N 1 0 386.458 4.064 20 0 GIADRO CN(C(=O)c1ccc(Cl)c2cccnc12)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457088731 822852209 /nfs/dbraw/zinc/85/22/09/822852209.db2.gz SGFMLPBTFOTISN-UHFFFAOYSA-N 1 0 399.844 4.377 20 0 GIADRO CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457089943 822852345 /nfs/dbraw/zinc/85/23/45/822852345.db2.gz UFJQLTUUZOYGPT-JQHSSLGASA-N 1 0 392.506 4.236 20 0 GIADRO CCN(c1ccc(C(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)cc1)C(C)C ZINC000457092266 822852568 /nfs/dbraw/zinc/85/25/68/822852568.db2.gz WWKHVMZNHCEDAK-UHFFFAOYSA-N 1 0 399.501 4.410 20 0 GIADRO CN(C(=O)c1ccccc1C(F)(F)F)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457093681 822852837 /nfs/dbraw/zinc/85/28/37/822852837.db2.gz YUGVBCZEUJNUCP-UHFFFAOYSA-N 1 0 382.348 4.194 20 0 GIADRO C[C@H](CC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)Cc1cccc(F)c1 ZINC000457094492 822852988 /nfs/dbraw/zinc/85/29/88/822852988.db2.gz ZPEUASCHDPELFO-HNNXBMFYSA-N 1 0 388.449 4.270 20 0 GIADRO CC[C@H]([NH2+][C@H](C)c1sccc1OC)c1ccccc1OCC(=O)N(C)C ZINC000186116335 822853019 /nfs/dbraw/zinc/85/30/19/822853019.db2.gz XYEGNOIBVLVRMP-ZBFHGGJFSA-N 1 0 376.522 4.026 20 0 GIADRO Cc1ccn(-c2ccccc2C[NH2+][C@H](C)c2cc(Br)ccc2O)n1 ZINC000186122724 822853626 /nfs/dbraw/zinc/85/36/26/822853626.db2.gz LELKMGSOWCYXOL-CQSZACIVSA-N 1 0 386.293 4.500 20 0 GIADRO O=C(N[C@@H]1CCC[C@H](c2cccc(Cl)c2)C1)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000457107456 822853698 /nfs/dbraw/zinc/85/36/98/822853698.db2.gz BYJSZVRFZQWMJC-FBBABVLZSA-N 1 0 390.955 4.126 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Nc1cccc(N2CCCC2=O)c1)c1ccccc1 ZINC000053974241 822855157 /nfs/dbraw/zinc/85/51/57/822855157.db2.gz ALTMLQVKSOVDLN-OAQYLSRUSA-N 1 0 394.519 4.018 20 0 GIADRO COc1ccsc1[C@@H](C)[NH2+][C@H](C)CC(=O)Nc1cccc(N2CCCC2)c1 ZINC000186146893 822855628 /nfs/dbraw/zinc/85/56/28/822855628.db2.gz ARABAWFMKLHOLH-HZPDHXFCSA-N 1 0 387.549 4.425 20 0 GIADRO Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000053991425 822855937 /nfs/dbraw/zinc/85/59/37/822855937.db2.gz MRHVPNFVEDBZST-LJQANCHMSA-N 1 0 395.547 4.062 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1cc2c(ccc3ccccc23)[nH]1 ZINC000053991001 822856009 /nfs/dbraw/zinc/85/60/09/822856009.db2.gz MRSWYVIICGPPDJ-UHFFFAOYSA-N 1 0 384.483 4.111 20 0 GIADRO Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2[NH2+]C2CCC(OC(C)C)CC2)cc1 ZINC000186159896 822856851 /nfs/dbraw/zinc/85/68/51/822856851.db2.gz ARPCHGOZRGETAP-NZUHHQEFSA-N 1 0 393.593 4.406 20 0 GIADRO C[C@]1(C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CCCC[C@@H]1O ZINC000174936525 822858207 /nfs/dbraw/zinc/85/82/07/822858207.db2.gz WQUKDANFHBFPIG-LADGPHEKSA-N 1 0 390.531 4.024 20 0 GIADRO Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000457163637 822858308 /nfs/dbraw/zinc/85/83/08/822858308.db2.gz HIWDJOIYINZFFX-UHFFFAOYSA-N 1 0 395.425 4.273 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1)c1ccc(Br)cc1O ZINC000186183995 822858889 /nfs/dbraw/zinc/85/88/89/822858889.db2.gz VQEVALDNWVXKME-QWHCGFSZSA-N 1 0 387.281 4.147 20 0 GIADRO Cc1ccc(C(=O)CCC(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)cc1C ZINC000054012211 822858924 /nfs/dbraw/zinc/85/89/24/822858924.db2.gz WMNOGKZTLRJFCP-UHFFFAOYSA-N 1 0 393.531 4.047 20 0 GIADRO Cc1cc(C)cc(C2(C(=O)Nc3ccc(N4CCC[N@@H+](C)CC4)cc3)CC2)c1 ZINC000054012730 822858948 /nfs/dbraw/zinc/85/89/48/822858948.db2.gz WGTAYAOIEVQDMW-UHFFFAOYSA-N 1 0 377.532 4.116 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(F)c(F)cc1Cl ZINC000174943700 822859140 /nfs/dbraw/zinc/85/91/40/822859140.db2.gz WOLGJYDBXAAJKF-HNNXBMFYSA-N 1 0 378.850 4.212 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCn1ccc2ccccc21 ZINC000174945727 822859421 /nfs/dbraw/zinc/85/94/21/822859421.db2.gz VQPPNMCPRHWOGL-OAQYLSRUSA-N 1 0 375.516 4.012 20 0 GIADRO Cc1ccc(C(=O)CCCC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000186191529 822859643 /nfs/dbraw/zinc/85/96/43/822859643.db2.gz IYUPEEUUSSXBBI-JOCHJYFZSA-N 1 0 392.543 4.029 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)Cc2csc(-c3ccc(C)o3)n2)c1 ZINC000054032591 822859679 /nfs/dbraw/zinc/85/96/79/822859679.db2.gz AOFNTAMYCPVRFY-UHFFFAOYSA-N 1 0 397.544 4.412 20 0 GIADRO O=C(Cc1cccnc1)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457191898 822859721 /nfs/dbraw/zinc/85/97/21/822859721.db2.gz BZJKPNSDXBRVFW-XMMPIXPASA-N 1 0 391.559 4.308 20 0 GIADRO C[C@@H]1OCC[C@@H]1C(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457193201 822859845 /nfs/dbraw/zinc/85/98/45/822859845.db2.gz GDKOPIUFXAJMQN-VJBMBRPKSA-N 1 0 384.564 4.095 20 0 GIADRO O=C([C@@H]1CC1(F)F)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457195253 822860025 /nfs/dbraw/zinc/86/00/25/822860025.db2.gz OFMVNCSBZYHRDI-VQTJNVASSA-N 1 0 376.491 4.325 20 0 GIADRO Cc1nc(CSc2ccc(C(=O)NCCCC[N@@H+](C)C3CC3)cc2)cs1 ZINC000457195212 822860069 /nfs/dbraw/zinc/86/00/69/822860069.db2.gz GRCUHUDGTYKVBC-UHFFFAOYSA-N 1 0 389.590 4.348 20 0 GIADRO O=C([C@H]1CCCOC1)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457195484 822860086 /nfs/dbraw/zinc/86/00/86/822860086.db2.gz PBCAACSRYGRQBQ-XZOQPEGZSA-N 1 0 384.564 4.096 20 0 GIADRO C[C@@H](CNC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1)c1nccs1 ZINC000186199966 822860138 /nfs/dbraw/zinc/86/01/38/822860138.db2.gz OIZARUPQUNKISQ-IRXDYDNUSA-N 1 0 386.565 4.209 20 0 GIADRO Cc1nnsc1C(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457197229 822860371 /nfs/dbraw/zinc/86/03/71/822860371.db2.gz UXJSLAJIVKFBMW-FQEVSTJZSA-N 1 0 398.576 4.144 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000174953977 822860621 /nfs/dbraw/zinc/86/06/21/822860621.db2.gz BLMKZVIUNJLOFW-OAHLLOKOSA-N 1 0 392.341 4.268 20 0 GIADRO CC[C@H]([NH2+]C[C@H](CCO)c1ccccc1)c1cc(Br)ccc1O ZINC000186207739 822861010 /nfs/dbraw/zinc/86/10/10/822861010.db2.gz DLKXYIPMSFPUCT-YJBOKZPZSA-N 1 0 378.310 4.362 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(CC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000174967060 822862376 /nfs/dbraw/zinc/86/23/76/822862376.db2.gz OHXOWBPWZIUHBR-LJQANCHMSA-N 1 0 381.520 4.081 20 0 GIADRO COc1ccc(S[C@@H](C)C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000174969821 822862515 /nfs/dbraw/zinc/86/25/15/822862515.db2.gz RKGSCXJFBGPMOD-ICSRJNTNSA-N 1 0 398.572 4.156 20 0 GIADRO CC(C)c1cc(C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1C(C)(C)C ZINC000174969741 822862591 /nfs/dbraw/zinc/86/25/91/822862591.db2.gz YFRXYRXQRGCHMW-FQEVSTJZSA-N 1 0 396.579 4.356 20 0 GIADRO CC[C@H](C(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1)c1ccc(F)cc1 ZINC000186228085 822862674 /nfs/dbraw/zinc/86/26/74/822862674.db2.gz SJVKCZLNHLVPKO-IBGZPJMESA-N 1 0 385.483 4.157 20 0 GIADRO CC(C)c1c(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cnn1-c1ccc(F)cc1 ZINC000174973412 822863133 /nfs/dbraw/zinc/86/31/33/822863133.db2.gz UHSLHJAWAHWDCZ-QUCCMNQESA-N 1 0 398.526 4.222 20 0 GIADRO O=c1[nH]c(CC[N@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)nc2ccccc21 ZINC000054173545 822865679 /nfs/dbraw/zinc/86/56/79/822865679.db2.gz LPIQHIUSPCOLBK-QFIPXVFZSA-N 1 0 381.479 4.113 20 0 GIADRO Cc1c(COc2ccccc2)cccc1NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000175000931 822865755 /nfs/dbraw/zinc/86/57/55/822865755.db2.gz VGEMRMMZBOUJII-HXUWFJFHSA-N 1 0 377.488 4.052 20 0 GIADRO O=C(Nc1ccc2c(c1)CN(CC(F)(F)F)C2)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000457323588 822865807 /nfs/dbraw/zinc/86/58/07/822865807.db2.gz HSTNBDWONKBSAX-LJQANCHMSA-N 1 0 395.469 4.300 20 0 GIADRO O=S(=O)(c1ccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2)cc1)N1CCCC1 ZINC000054175677 822865804 /nfs/dbraw/zinc/86/58/04/822865804.db2.gz HYKUKPPKUZQRAJ-UHFFFAOYSA-N 1 0 399.343 4.068 20 0 GIADRO Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000568964961 822865917 /nfs/dbraw/zinc/86/59/17/822865917.db2.gz AFVDPBFRPKZYIO-ZDUSSCGKSA-N 1 0 396.318 4.419 20 0 GIADRO C[C@@H](CCNC(=O)N1CCCC[C@@H]1c1nc2ccccc2[nH]1)[NH+]1CCCCC1 ZINC000568964980 822865956 /nfs/dbraw/zinc/86/59/56/822865956.db2.gz FLWYDHBQJJGTET-FXAWDEMLSA-N 1 0 383.540 4.064 20 0 GIADRO Cc1ccc(NC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc1NC(=O)CC[NH+](C)C ZINC000186259645 822866067 /nfs/dbraw/zinc/86/60/67/822866067.db2.gz AEEYXNJLECDJHB-GUDVDZBRSA-N 1 0 385.552 4.430 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H](C)c1ccc(Cl)s1 ZINC000175005445 822866073 /nfs/dbraw/zinc/86/60/73/822866073.db2.gz NUMXWHLJFMNOLS-CQSZACIVSA-N 1 0 377.941 4.204 20 0 GIADRO CC[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1)c1ccccc1OCC(=O)NC ZINC000054175955 822866174 /nfs/dbraw/zinc/86/61/74/822866174.db2.gz CXPWNRWHHHZTRF-QGZVFWFLSA-N 1 0 381.303 4.359 20 0 GIADRO COc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@@H]2CCCOC2)cc1 ZINC000054181146 822866334 /nfs/dbraw/zinc/86/63/34/822866334.db2.gz ZNBZLDYJQXSBPY-FQEVSTJZSA-N 1 0 391.515 4.123 20 0 GIADRO CCCOc1ccc(C(F)(F)F)cc1NC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000568971737 822866523 /nfs/dbraw/zinc/86/65/23/822866523.db2.gz KRCCYBPVMJVBGZ-GJZGRUSLSA-N 1 0 399.457 4.348 20 0 GIADRO [NH3+]C[C@H]1CN(C(=O)N[C@H](CC2CCCCC2)c2ccccc2)CC12CCOCC2 ZINC000568974724 822866839 /nfs/dbraw/zinc/86/68/39/822866839.db2.gz POPRIDJDDFQCNE-FCHUYYIVSA-N 1 0 399.579 4.095 20 0 GIADRO CCC[NH+](CCC)CCCC(=O)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000457330484 822866903 /nfs/dbraw/zinc/86/69/03/822866903.db2.gz PWNSMNQOMABVLA-GOSISDBHSA-N 1 0 396.373 4.410 20 0 GIADRO O=C(COc1ccc(Cl)cc1)NC1CCC([NH2+][C@@H]2CCC[C@@H](F)C2)CC1 ZINC000568983396 822867376 /nfs/dbraw/zinc/86/73/76/822867376.db2.gz IYZITTAHWIQYAB-AQEOSJORSA-N 1 0 382.907 4.017 20 0 GIADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc(-c3ccc(Br)s3)s2)C1 ZINC000568982467 822867417 /nfs/dbraw/zinc/86/74/17/822867417.db2.gz AGNSTTQRIICDJH-QWRGUYRKSA-N 1 0 399.379 4.439 20 0 GIADRO Cc1ccc(NC(=O)C[C@@H](C)Cc2cccc(F)c2)cc1NC(=O)CC[NH+](C)C ZINC000186268771 822867498 /nfs/dbraw/zinc/86/74/98/822867498.db2.gz VVNVPGMPJPKABB-INIZCTEOSA-N 1 0 399.510 4.232 20 0 GIADRO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3cc(-c4ccc(F)cc4)no3)C2)n1 ZINC000054205471 822868222 /nfs/dbraw/zinc/86/82/22/822868222.db2.gz FTELFXUWDFTZJX-QGZVFWFLSA-N 1 0 394.450 4.035 20 0 GIADRO Cc1oc(-c2ccccc2)nc1CC(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000054223939 822869239 /nfs/dbraw/zinc/86/92/39/822869239.db2.gz KXPLNTLJPCGJSR-UWJYYQICSA-N 1 0 389.499 4.144 20 0 GIADRO Cc1ccc(Br)c(C)c1C(=O)Nc1ccccc1CC[NH+](C)C ZINC000569012405 822869541 /nfs/dbraw/zinc/86/95/41/822869541.db2.gz SPUNPJNRLBNKCF-UHFFFAOYSA-N 1 0 375.310 4.422 20 0 GIADRO Cc1cc(C[N@@H+](C)[C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)c(C)s1 ZINC000186280716 822869737 /nfs/dbraw/zinc/86/97/37/822869737.db2.gz INWJDJLWRIRVFJ-HNNXBMFYSA-N 1 0 378.563 4.098 20 0 GIADRO Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000054227437 822869877 /nfs/dbraw/zinc/86/98/77/822869877.db2.gz KJXPWHOMQVYEGQ-OXJNMPFZSA-N 1 0 375.472 4.215 20 0 GIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CCCCC(=O)c2ccccc2)C1 ZINC000054228182 822870091 /nfs/dbraw/zinc/87/00/91/822870091.db2.gz QXEZGFDRONYABK-UGKGYDQZSA-N 1 0 378.516 4.381 20 0 GIADRO [NH3+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c(F)cccc2Cl)CC[C@H]1c1ccc(F)cc1 ZINC000457368712 822870752 /nfs/dbraw/zinc/87/07/52/822870752.db2.gz FUKJEHDYEKPJHR-WFXMFSGNSA-N 1 0 390.861 4.065 20 0 GIADRO CCc1cc(N2CCC([NH2+][C@H](C)c3ccc(Br)cc3)CC2)ncn1 ZINC000175030132 822870941 /nfs/dbraw/zinc/87/09/41/822870941.db2.gz UMGBYBILNJMNPY-CQSZACIVSA-N 1 0 389.341 4.121 20 0 GIADRO [NH3+][C@@H]1CN(C(=O)C[C@H](c2ccccc2)C(F)(F)F)CC[C@@H]1c1ccc(F)cc1 ZINC000457370437 822870942 /nfs/dbraw/zinc/87/09/42/822870942.db2.gz OFSKCVCXQFCLHP-GUDVDZBRSA-N 1 0 394.412 4.205 20 0 GIADRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000457373324 822871134 /nfs/dbraw/zinc/87/11/34/822871134.db2.gz KGSGCPUUWJPYPE-PZJWPPBQSA-N 1 0 379.504 4.353 20 0 GIADRO [NH3+][C@@H]1CN(C(=O)CCCc2nc3ccccc3s2)CC[C@H]1c1ccc(F)cc1 ZINC000457374885 822871330 /nfs/dbraw/zinc/87/13/30/822871330.db2.gz WZCOWAALQMMOPH-ZWKOTPCHSA-N 1 0 397.519 4.102 20 0 GIADRO COc1ccc([C@H]2CCN(C(=O)c3cccc(Cl)c3Cl)C[C@@H]2[NH3+])cc1F ZINC000457377061 822871541 /nfs/dbraw/zinc/87/15/41/822871541.db2.gz MKSTWRYNVQZZFP-WBMJQRKESA-N 1 0 397.277 4.098 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(SC)c2)c(C)c1OC ZINC000569034266 822871734 /nfs/dbraw/zinc/87/17/34/822871734.db2.gz KSLGBRUXVSAHLN-LSDHHAIUSA-N 1 0 388.533 4.412 20 0 GIADRO [NH3+][C@@H]1CN(C(=O)CC2CCC(C(F)(F)F)CC2)CC[C@H]1c1ccc(F)cc1 ZINC000457383655 822871832 /nfs/dbraw/zinc/87/18/32/822871832.db2.gz QYZIUHFGSFPQBA-NWCILSHNSA-N 1 0 386.433 4.228 20 0 GIADRO COc1ccc([C@H]2CCN(C(=O)c3cc4ccccc4s3)C[C@@H]2[NH3+])cc1F ZINC000457389202 822872171 /nfs/dbraw/zinc/87/21/71/822872171.db2.gz VNNSVUQWVYHLRT-WBVHZDCISA-N 1 0 384.476 4.006 20 0 GIADRO C[N@H+](CCNC(=O)Cc1csc(-c2ccccc2Cl)n1)Cc1ccccc1 ZINC000054281541 822872694 /nfs/dbraw/zinc/87/26/94/822872694.db2.gz MNAKHOCFQXKORV-UHFFFAOYSA-N 1 0 399.947 4.254 20 0 GIADRO OC[C@@H](C[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1)c1ccccc1 ZINC000175049358 822873675 /nfs/dbraw/zinc/87/36/75/822873675.db2.gz ZKTCYVIUDFREAM-HXUWFJFHSA-N 1 0 382.891 4.180 20 0 GIADRO OC[C@H](C[NH2+]Cc1csc(COc2ccc(Cl)cc2)n1)c1ccccc1 ZINC000175050070 822873893 /nfs/dbraw/zinc/87/38/93/822873893.db2.gz SEKXHYVLEURSCR-INIZCTEOSA-N 1 0 388.920 4.241 20 0 GIADRO CCN(C(=O)c1ccc(N2CCC(C)=N2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186312548 822874756 /nfs/dbraw/zinc/87/47/56/822874756.db2.gz MQAWPSOSFNXZDR-QHCPKHFHSA-N 1 0 390.531 4.009 20 0 GIADRO COc1ccc([C@H](NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)c2ccco2)cc1 ZINC000457444235 822875661 /nfs/dbraw/zinc/87/56/61/822875661.db2.gz FLTLAVJHWQVMJL-PXNSSMCTSA-N 1 0 399.516 4.041 20 0 GIADRO CC(C)COC1CC[NH+]([C@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)CC1 ZINC000054322276 822876223 /nfs/dbraw/zinc/87/62/23/822876223.db2.gz MQSWYOXCDWEQQQ-LJQANCHMSA-N 1 0 387.568 4.141 20 0 GIADRO CCN(C(=O)c1cc(NC(C)=O)ccc1Cl)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186325370 822876332 /nfs/dbraw/zinc/87/63/32/822876332.db2.gz ONIKTOVTBAMQFA-IBGZPJMESA-N 1 0 399.922 4.035 20 0 GIADRO CC(C)COC1CC[NH+](CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000054324108 822876337 /nfs/dbraw/zinc/87/63/37/822876337.db2.gz VRBBNNYQMXFVHU-UHFFFAOYSA-N 1 0 387.351 4.089 20 0 GIADRO COc1ccc(C(=O)Nc2cccc(C[NH2+]C[C@H]3CCCO[C@H]3C(C)C)c2)cc1 ZINC000175064461 822876576 /nfs/dbraw/zinc/87/65/76/822876576.db2.gz FVHYGZMRBNYCBG-OFNKIYASSA-N 1 0 396.531 4.488 20 0 GIADRO COc1cccc([C@H]2C[C@H](N(C)C(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)C2)c1 ZINC000457454420 822876577 /nfs/dbraw/zinc/87/65/77/822876577.db2.gz IWVFCLFYMCYNDH-SFHLNBCPSA-N 1 0 397.519 4.013 20 0 GIADRO CC1CCN(C(=O)C2CC[NH+](Cc3c(Cl)ccc4cccnc43)CC2)CC1 ZINC000054337303 822876813 /nfs/dbraw/zinc/87/68/13/822876813.db2.gz XQWCJLMSXIGUCU-UHFFFAOYSA-N 1 0 385.939 4.359 20 0 GIADRO C[C@H]([NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)[C@@H](c1ccccc1)N(C)C ZINC000186327458 822876814 /nfs/dbraw/zinc/87/68/14/822876814.db2.gz CUTFFXAHUBLMFG-ACAXCVFMSA-N 1 0 375.557 4.103 20 0 GIADRO CC[C@@H](c1ccncc1)N(C)C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000186332727 822877434 /nfs/dbraw/zinc/87/74/34/822877434.db2.gz ODMBHBUMMYQZCL-FCHUYYIVSA-N 1 0 380.536 4.085 20 0 GIADRO O=C(NCC1=CC[NH2+]CC1)c1cccc(Oc2cccc(C(F)(F)F)c2)c1 ZINC000186337219 822877916 /nfs/dbraw/zinc/87/79/16/822877916.db2.gz YNWOFPYYEMPREA-UHFFFAOYSA-N 1 0 376.378 4.147 20 0 GIADRO COc1cccc([C@H]2C[C@H](NC(=O)NC[C@H](c3cccs3)[NH+]3CCCC3)C2)c1 ZINC000457481072 822879839 /nfs/dbraw/zinc/87/98/39/822879839.db2.gz DKZBFSUMOWQCEP-QWFCFKBJSA-N 1 0 399.560 4.139 20 0 GIADRO CC(C)c1c(NC(=O)N(C)C[C@H]2CCC[N@@H+]2C)cnn1-c1ccccc1Cl ZINC000569103226 822880162 /nfs/dbraw/zinc/88/01/62/822880162.db2.gz XCKGFRAQPLWRJY-OAHLLOKOSA-N 1 0 389.931 4.207 20 0 GIADRO Cn1cc(Br)cc1C[N@H+](C)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000186350921 822880242 /nfs/dbraw/zinc/88/02/42/822880242.db2.gz ZKXUXFLOKWJGOL-UHFFFAOYSA-N 1 0 379.298 4.065 20 0 GIADRO C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000457489383 822880981 /nfs/dbraw/zinc/88/09/81/822880981.db2.gz LFQKVSVVSZSIQY-KFWWJZLASA-N 1 0 389.487 4.257 20 0 GIADRO COc1cc(OC)c([C@H](C)[NH2+]C2CCC(O)(c3cccnc3)CC2)cc1Cl ZINC000186355696 822881095 /nfs/dbraw/zinc/88/10/95/822881095.db2.gz IKZKAAHZOVEEAL-DOOHWEDMSA-N 1 0 390.911 4.233 20 0 GIADRO CN(Cc1cccs1)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000054393611 822881441 /nfs/dbraw/zinc/88/14/41/822881441.db2.gz ZMJDVJOQVKQOHM-UHFFFAOYSA-N 1 0 377.941 4.208 20 0 GIADRO CC(C)(C)n1cc(C(=O)NCc2ccc(C[NH3+])cc2)c(-c2ccccc2Cl)n1 ZINC000569123340 822881518 /nfs/dbraw/zinc/88/15/18/822881518.db2.gz KYDURFZLXQHUQE-UHFFFAOYSA-N 1 0 396.922 4.347 20 0 GIADRO Cc1cc(Br)ccc1NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000175100875 822882430 /nfs/dbraw/zinc/88/24/30/822882430.db2.gz HLCGQRPXRXAVNA-UHFFFAOYSA-N 1 0 380.330 4.286 20 0 GIADRO CC(C)C(=O)Nc1cccc(NC(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000054406251 822882621 /nfs/dbraw/zinc/88/26/21/822882621.db2.gz VVJACPQHMBBGJQ-CALCHBBNSA-N 1 0 388.556 4.159 20 0 GIADRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]Cc1csc(CC(=O)Nc2ccccc2)n1 ZINC000186367034 822882829 /nfs/dbraw/zinc/88/28/29/822882829.db2.gz DHIVROXZQAXEEJ-OALUTQOASA-N 1 0 387.549 4.008 20 0 GIADRO Cc1cc2ncc([C@H](C)[NH2+]CC3(CCOCc4ccccc4)CC3)c(C)n2n1 ZINC000186367392 822882961 /nfs/dbraw/zinc/88/29/61/822882961.db2.gz RKZJVDKTSQPCJD-SFHVURJKSA-N 1 0 378.520 4.384 20 0 GIADRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1cc(Br)co1 ZINC000457504812 822883034 /nfs/dbraw/zinc/88/30/34/822883034.db2.gz NIWBYAUUNKXZSJ-UHFFFAOYSA-N 1 0 395.322 4.152 20 0 GIADRO CC[NH+]1CCC(CNC(=O)N2CCC[C@@H]2c2ccc(Br)cc2)CC1 ZINC000569141973 822883507 /nfs/dbraw/zinc/88/35/07/822883507.db2.gz WPXVCCBFRDJFAH-GOSISDBHSA-N 1 0 394.357 4.028 20 0 GIADRO COc1cc(OC)cc(N2CC[C@H]([NH2+][C@H](C)c3csc(C(C)C)n3)C2)c1 ZINC000186373046 822883739 /nfs/dbraw/zinc/88/37/39/822883739.db2.gz LHHBLPRLXJESTK-CABCVRRESA-N 1 0 375.538 4.213 20 0 GIADRO COCC[N@H+](CCC(=O)Nc1c(Cl)cccc1Cl)Cc1ccccc1 ZINC000054425042 822883790 /nfs/dbraw/zinc/88/37/90/822883790.db2.gz QVUMXXWBLMQZQT-UHFFFAOYSA-N 1 0 381.303 4.471 20 0 GIADRO CCCC[N@H+](C)C[C@H](C)NC(=O)Nc1cccc(C(=O)Nc2ccccc2)c1C ZINC000569148750 822884169 /nfs/dbraw/zinc/88/41/69/822884169.db2.gz CZCMUEVNBYZEKH-KRWDZBQOSA-N 1 0 396.535 4.489 20 0 GIADRO CC[C@H]([NH2+][C@@H]1CCC[C@H]2CN(C(C)=O)C[C@@H]21)c1cc(F)cc(Br)c1 ZINC000569149847 822884343 /nfs/dbraw/zinc/88/43/43/822884343.db2.gz QVJLNOILEZMHCM-ZQEOTTOMSA-N 1 0 397.332 4.276 20 0 GIADRO COc1ccccc1[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1ccccc1C)OC(C)C ZINC000186380606 822885219 /nfs/dbraw/zinc/88/52/19/822885219.db2.gz LJRDDIZEMMGRHR-PGRDOPGGSA-N 1 0 384.520 4.477 20 0 GIADRO CC(=O)Nc1cc(NC(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)ccc1C ZINC000175117974 822885529 /nfs/dbraw/zinc/88/55/29/822885529.db2.gz VTWISZJSDLPIEF-SFHVURJKSA-N 1 0 394.519 4.082 20 0 GIADRO CC(=O)Nc1c(C)ccc(NC(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c1C ZINC000054446084 822886674 /nfs/dbraw/zinc/88/66/74/822886674.db2.gz QUELLWCRUXASJO-PXNSSMCTSA-N 1 0 394.519 4.219 20 0 GIADRO O=C(CCC(F)(F)F)N1CCC[C@@H]([NH2+]Cc2cnc(-c3ccccc3)s2)C1 ZINC000569166888 822887407 /nfs/dbraw/zinc/88/74/07/822887407.db2.gz JCSQHCKSZAXQLN-OAHLLOKOSA-N 1 0 397.466 4.233 20 0 GIADRO COC(=O)N1CCC([C@H](C)[NH2+]Cc2nc3ccccc3c(C)c2Cl)CC1 ZINC000186396789 822887792 /nfs/dbraw/zinc/88/77/92/822887792.db2.gz QONJISHJMLTBSD-AWEZNQCLSA-N 1 0 375.900 4.153 20 0 GIADRO CC1(C)[C@H](OCc2ccccc2)C[C@@H]1[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000186398054 822888016 /nfs/dbraw/zinc/88/80/16/822888016.db2.gz LHAUTFYBWJBQMJ-RBUKOAKNSA-N 1 0 384.486 4.377 20 0 GIADRO O=C(c1ccc(Oc2cccc(Cl)c2)cn1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000457545651 822888589 /nfs/dbraw/zinc/88/85/89/822888589.db2.gz FQAOQDKTIGOGKK-KRWDZBQOSA-N 1 0 385.895 4.228 20 0 GIADRO Cc1cccc(Br)c1C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000569178938 822889333 /nfs/dbraw/zinc/88/93/33/822889333.db2.gz OJDXVSUOVNDDDC-ZIAGYGMSSA-N 1 0 381.358 4.244 20 0 GIADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)Cc2ccccc2OC2CCCC2)CC1 ZINC000457549640 822889426 /nfs/dbraw/zinc/88/94/26/822889426.db2.gz ABPDOHJSFMAFQO-UHFFFAOYSA-N 1 0 396.531 4.267 20 0 GIADRO COc1ccc(-c2n[nH]cc2C[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)cc1 ZINC000569200110 822892151 /nfs/dbraw/zinc/89/21/51/822892151.db2.gz CDBCHIVOWYHVDR-QHCPKHFHSA-N 1 0 389.499 4.439 20 0 GIADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000457568031 822892391 /nfs/dbraw/zinc/89/23/91/822892391.db2.gz ZNWNTECNWLYLRM-HNNXBMFYSA-N 1 0 398.532 4.180 20 0 GIADRO Cc1ccc(Oc2ccc(C(=O)N3CCC[C@@H]([NH+]4CCCC4)CC3)nc2)cc1 ZINC000457570501 822892557 /nfs/dbraw/zinc/89/25/57/822892557.db2.gz HLGJOMUYGLKZOV-LJQANCHMSA-N 1 0 379.504 4.273 20 0 GIADRO CC(C)c1cccc(CC(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)c1 ZINC000457570446 822892591 /nfs/dbraw/zinc/89/25/91/822892591.db2.gz GUWVVNBWQNLWMQ-HXUWFJFHSA-N 1 0 394.559 4.369 20 0 GIADRO CC(C)c1cccc(CC(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)c1 ZINC000457570444 822892644 /nfs/dbraw/zinc/89/26/44/822892644.db2.gz GUWVVNBWQNLWMQ-FQEVSTJZSA-N 1 0 394.559 4.369 20 0 GIADRO Cc1cccc(Oc2ccc(C(=O)N(CC(C)C)C3CC[NH+](C)CC3)nc2)c1 ZINC000457571245 822892778 /nfs/dbraw/zinc/89/27/78/822892778.db2.gz HNAHTPFCKULXHC-UHFFFAOYSA-N 1 0 381.520 4.375 20 0 GIADRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)Nc2ccc(Oc3cccnc3)cc2)CC1 ZINC000569212380 822893409 /nfs/dbraw/zinc/89/34/09/822893409.db2.gz TZOVMQFZNQGRPP-FQEVSTJZSA-N 1 0 380.492 4.116 20 0 GIADRO [NH3+]Cc1ccc(NC(=O)NCc2nc3c(s2)C[C@@H](c2ccccc2)CC3)cc1 ZINC000569212277 822893585 /nfs/dbraw/zinc/89/35/85/822893585.db2.gz KPGYPPVQHZOKQX-KRWDZBQOSA-N 1 0 392.528 4.196 20 0 GIADRO CO[C@@H](C)c1nc(C)c(C(=O)OC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)s1 ZINC000175161134 822895022 /nfs/dbraw/zinc/89/50/22/822895022.db2.gz IQNRSIYLSUUUGO-FUHWJXTLSA-N 1 0 388.533 4.228 20 0 GIADRO CCCN(C(=O)NCCCC[NH+]1CCOCC1)[C@@H](C)c1cc2ccccc2o1 ZINC000054565084 822895538 /nfs/dbraw/zinc/89/55/38/822895538.db2.gz SRPJYPAKNUUEGO-SFHVURJKSA-N 1 0 387.524 4.028 20 0 GIADRO C[C@@H](C(=O)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F)C1CCC1 ZINC000457591479 822895635 /nfs/dbraw/zinc/89/56/35/822895635.db2.gz BUDPJWCGAKTMES-SJLPKXTDSA-N 1 0 382.470 4.336 20 0 GIADRO COC1CCC(NC(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)CC1 ZINC000457602818 822896527 /nfs/dbraw/zinc/89/65/27/822896527.db2.gz FTFASLRWQODONT-UHFFFAOYSA-N 1 0 395.547 4.172 20 0 GIADRO O=C(c1ccoc1)N1CCC([NH2+]CC2(c3ccc(F)cc3F)CCCC2)CC1 ZINC000186442914 822896521 /nfs/dbraw/zinc/89/65/21/822896521.db2.gz PSGZPVGSUPUALE-UHFFFAOYSA-N 1 0 388.458 4.264 20 0 GIADRO COc1cc(C[NH2+]C[C@@H](C)Cn2cccn2)ccc1OCc1ccc(F)cc1 ZINC000569261447 822897877 /nfs/dbraw/zinc/89/78/77/822897877.db2.gz FXYVTOKHPACWDV-QGZVFWFLSA-N 1 0 383.467 4.036 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(Oc2cccc(Cl)c2)cn1 ZINC000457632465 822899227 /nfs/dbraw/zinc/89/92/27/822899227.db2.gz NRUFYMYLGLUDRZ-SJORKVTESA-N 1 0 385.895 4.226 20 0 GIADRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)Nc1ccc(Oc2cccc(F)c2F)nc1 ZINC000569276881 822900265 /nfs/dbraw/zinc/90/02/65/822900265.db2.gz JVGLCACUEYJHQS-CYBMUJFWSA-N 1 0 378.423 4.002 20 0 GIADRO Cc1ccc(SC[C@H](C)[NH2+][C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)cc1 ZINC000186473684 822901068 /nfs/dbraw/zinc/90/10/68/822901068.db2.gz OVAVFZIEYORXGA-LSDHHAIUSA-N 1 0 381.538 4.369 20 0 GIADRO CCCC(=O)Nc1cccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c1 ZINC000569282086 822901143 /nfs/dbraw/zinc/90/11/43/822901143.db2.gz VHZZAGMWHZNNTD-LAUBAEHRSA-N 1 0 394.519 4.210 20 0 GIADRO CC(C)Oc1ccc([C@H](CNC(=O)Nc2cc(C3CC3)ccn2)[NH+](C)C)cc1 ZINC000569294439 822902979 /nfs/dbraw/zinc/90/29/79/822902979.db2.gz VMBPTEXSRKRGKG-FQEVSTJZSA-N 1 0 382.508 4.171 20 0 GIADRO CC[C@@H](C)c1ccccc1OCC(=O)Nc1ccccc1N1CC[NH+](CC)CC1 ZINC000054671985 822903563 /nfs/dbraw/zinc/90/35/63/822903563.db2.gz LAGLLGPHMMLALI-LJQANCHMSA-N 1 0 395.547 4.360 20 0 GIADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(Oc3cccc(Cl)c3)cn2)C1 ZINC000457669780 822904248 /nfs/dbraw/zinc/90/42/48/822904248.db2.gz NSRBHESFJWRWDX-YWZLYKJASA-N 1 0 385.895 4.084 20 0 GIADRO Cc1cc(NC(=O)[C@@H](C)CC(F)(F)F)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000457675034 822904974 /nfs/dbraw/zinc/90/49/74/822904974.db2.gz MPIJWTHFVGZGGT-YOEHRIQHSA-N 1 0 394.441 4.166 20 0 GIADRO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1CCSC2(CCOCC2)C1 ZINC000186499614 822905298 /nfs/dbraw/zinc/90/52/98/822905298.db2.gz JTDIRGFMYYQJIG-UHFFFAOYSA-N 1 0 391.968 4.241 20 0 GIADRO Cc1cc(C[N@@H+]2CCSC3(CCOCC3)C2)cc(C)c1OCc1ccccn1 ZINC000186500774 822905559 /nfs/dbraw/zinc/90/55/59/822905559.db2.gz FIXKWHINSXWGDO-UHFFFAOYSA-N 1 0 398.572 4.375 20 0 GIADRO CC(C)c1nccn1Cc1cccc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000175216333 822906586 /nfs/dbraw/zinc/90/65/86/822906586.db2.gz MWLMKLKUKZSWAS-YLJYHZDGSA-N 1 0 383.540 4.001 20 0 GIADRO C[NH2+]CCC1CCN(C(=O)NCc2nc(-c3cc4ccccc4o3)cs2)CC1 ZINC000569322251 822907303 /nfs/dbraw/zinc/90/73/03/822907303.db2.gz BKUWVVSKSXXNAT-UHFFFAOYSA-N 1 0 398.532 4.087 20 0 GIADRO CCN(Cc1ccc(OC)cc1)C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000054719155 822907414 /nfs/dbraw/zinc/90/74/14/822907414.db2.gz XCOWEPMGZKNGCJ-RXVVDRJESA-N 1 0 381.520 4.062 20 0 GIADRO CC(C)(Cc1ccc(Cl)cc1)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000457693916 822907780 /nfs/dbraw/zinc/90/77/80/822907780.db2.gz NHDQHXIKINEAIC-UHFFFAOYSA-N 1 0 385.939 4.337 20 0 GIADRO Cc1cc(Br)c(C(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2)s1 ZINC000457700998 822908242 /nfs/dbraw/zinc/90/82/42/822908242.db2.gz HNBNUGQVTMAGLU-LBPRGKRZSA-N 1 0 381.339 4.069 20 0 GIADRO O=C(Nc1ccc(Oc2ccccn2)cc1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000569330221 822908665 /nfs/dbraw/zinc/90/86/65/822908665.db2.gz XWJIHAWLKUPSNS-XLIONFOSSA-N 1 0 380.492 4.260 20 0 GIADRO O=C(NCC1=CC[NH2+]CC1)N[C@@H](c1ccccc1)c1cc(Cl)ccc1Cl ZINC000569334377 822908935 /nfs/dbraw/zinc/90/89/35/822908935.db2.gz HTDIKWLJEVKZMK-IBGZPJMESA-N 1 0 390.314 4.302 20 0 GIADRO CCOc1cc(F)ccc1NC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000175228991 822909613 /nfs/dbraw/zinc/90/96/13/822909613.db2.gz AEHVBMBKHQMAFF-GOSISDBHSA-N 1 0 385.483 4.210 20 0 GIADRO Cc1ccc2nc(C[NH2+]C[C@@H]3CCN(c4cccc(Br)c4)C3)cn2c1 ZINC000569349132 822910272 /nfs/dbraw/zinc/91/02/72/822910272.db2.gz BXHQFONIGVCOLS-INIZCTEOSA-N 1 0 399.336 4.021 20 0 GIADRO COc1ccc2c(c1)nc(C[NH2+][C@@H](C)[C@H](C)c1nc3ccccc3s1)n2C ZINC000186538574 822910517 /nfs/dbraw/zinc/91/05/17/822910517.db2.gz CMZDREUVAFTELB-KBPBESRZSA-N 1 0 380.517 4.473 20 0 GIADRO NS(=O)(=O)c1ccc2c(c1)CCC[C@H]2[NH2+]C1CCC(c2ccccc2)CC1 ZINC000569368820 822911919 /nfs/dbraw/zinc/91/19/19/822911919.db2.gz FVDJZBUPJJQSJB-RKOYOZNISA-N 1 0 384.545 4.027 20 0 GIADRO O=C(Nc1cccc(COCc2ccco2)c1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000175243094 822912273 /nfs/dbraw/zinc/91/22/73/822912273.db2.gz JLVWVXVJAQOEIS-OAQYLSRUSA-N 1 0 397.519 4.382 20 0 GIADRO Cn1c2ccccc2nc1C(C)(C)[NH2+]C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000186554635 822912333 /nfs/dbraw/zinc/91/23/33/822912333.db2.gz JUYQJXKJCRRJBI-MRXNPFEDSA-N 1 0 391.437 4.020 20 0 GIADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1cccc(COc2cccc(F)c2)c1 ZINC000569373104 822912768 /nfs/dbraw/zinc/91/27/68/822912768.db2.gz GDZGBQYPYQCXOT-JTSKRJEESA-N 1 0 397.494 4.495 20 0 GIADRO CC[C@@H](C)[NH2+][C@H](CNC(=O)c1ccc(Br)cc1C)c1ccco1 ZINC000569378902 822913261 /nfs/dbraw/zinc/91/32/61/822913261.db2.gz GPUUIUFUHYYPOS-CZUORRHYSA-N 1 0 379.298 4.210 20 0 GIADRO COc1ccc([C@H](NC(=O)NCCCC[NH+]2CCC(C)CC2)c2ccco2)cc1 ZINC000457741713 822913263 /nfs/dbraw/zinc/91/32/63/822913263.db2.gz KXSPPIIFVGZIQN-QFIPXVFZSA-N 1 0 399.535 4.189 20 0 GIADRO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)N1C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000457753129 822914787 /nfs/dbraw/zinc/91/47/87/822914787.db2.gz XGEDOUPJCYKKPP-MWDXBVQZSA-N 1 0 377.495 4.402 20 0 GIADRO Cc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@H]2CCC(=O)N[C@H]2C2CC2)CCC3)cc1 ZINC000569389352 822914930 /nfs/dbraw/zinc/91/49/30/822914930.db2.gz YVNWQTHDVNUHHE-QKLQHJQFSA-N 1 0 381.545 4.143 20 0 GIADRO CC(C)N(CC[NH+]1CCCCCC1)C(=O)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000569395079 822915971 /nfs/dbraw/zinc/91/59/71/822915971.db2.gz FNTCANSMNVRUIX-UHFFFAOYSA-N 1 0 396.535 4.341 20 0 GIADRO CC[N@H+](CCNC(=O)c1ccc(OC(C)C)cc1Cl)CCC(F)(F)F ZINC000457761992 822915950 /nfs/dbraw/zinc/91/59/50/822915950.db2.gz JFNJBFVVHZKNSR-UHFFFAOYSA-N 1 0 380.838 4.131 20 0 GIADRO Cc1cc(Br)c(C(=O)Nc2cccc3c2OCC[C@@H]3[NH+](C)C)s1 ZINC000457762038 822915978 /nfs/dbraw/zinc/91/59/78/822915978.db2.gz JCCIVDCZZXGXNH-AWEZNQCLSA-N 1 0 395.322 4.457 20 0 GIADRO Cc1cc(CCCC(=O)N(Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c(C)s1 ZINC000186574796 822916094 /nfs/dbraw/zinc/91/60/94/822916094.db2.gz UNSJRWANQUHPFJ-OAQYLSRUSA-N 1 0 385.577 4.254 20 0 GIADRO CC(=O)c1oc2cc(C)ccc2c1CC(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000569395290 822916257 /nfs/dbraw/zinc/91/62/57/822916257.db2.gz OPOQGHZDAODRSE-QGZVFWFLSA-N 1 0 392.499 4.123 20 0 GIADRO Fc1ccc(CCN2CCC([NH2+]Cc3ccc(N4CCCCC4)nc3)CC2)cc1 ZINC000569404150 822917614 /nfs/dbraw/zinc/91/76/14/822917614.db2.gz FWWDFQRGAMHQRJ-UHFFFAOYSA-N 1 0 396.554 4.008 20 0 GIADRO COc1ccc([C@@H]([NH2+]CC2CCC(C(F)(F)F)CC2)c2nccn2C)cc1 ZINC000186585442 822917763 /nfs/dbraw/zinc/91/77/63/822917763.db2.gz WSQOMABPBLIFLB-JFUPDXTOSA-N 1 0 381.442 4.476 20 0 GIADRO O=C(c1ccc(-c2ccccc2F)o1)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000186585403 822917846 /nfs/dbraw/zinc/91/78/46/822917846.db2.gz QQBFKWQCFWJQRD-SFHVURJKSA-N 1 0 393.462 4.265 20 0 GIADRO Cc1nc(-c2ccc([C@@H](C)NC(=O)N3CC[N@@H+](C4CC4)C[C@@H](C)C3)cc2)cs1 ZINC000457775647 822917971 /nfs/dbraw/zinc/91/79/71/822917971.db2.gz NYECYFMQWDADFP-HZPDHXFCSA-N 1 0 398.576 4.305 20 0 GIADRO O=C(c1cc(F)cc(C(F)(F)F)c1)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000186586876 822918144 /nfs/dbraw/zinc/91/81/44/822918144.db2.gz WYUDVHODGKAEIQ-SFHVURJKSA-N 1 0 395.400 4.024 20 0 GIADRO O[C@H](C[NH2+]CC1(c2ccc(F)cc2)CCOCC1)Cc1ccc2ccccc2c1 ZINC000569410507 822918627 /nfs/dbraw/zinc/91/86/27/822918627.db2.gz KYBKJAOXHVHGDX-DEOSSOPVSA-N 1 0 393.502 4.220 20 0 GIADRO CC(C)c1cccc(CC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c1 ZINC000457782349 822918999 /nfs/dbraw/zinc/91/89/99/822918999.db2.gz YXIPQYWVKYXPME-UHFFFAOYSA-N 1 0 382.470 4.274 20 0 GIADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCC(F)(Cc2ccc(Cl)cc2)CC1 ZINC000457793027 822919926 /nfs/dbraw/zinc/91/99/26/822919926.db2.gz SMCSMOFLEMGPFD-RBUKOAKNSA-N 1 0 393.934 4.023 20 0 GIADRO Fc1cccc([C@@H]2CC[C@H]([NH2+][C@H]3CCCc4c3cnn4-c3ncccn3)C2)c1 ZINC000569416583 822919960 /nfs/dbraw/zinc/91/99/60/822919960.db2.gz FJKDSVKDZWAPMV-KPFFTGBYSA-N 1 0 377.467 4.105 20 0 GIADRO COC(=O)CCN(C(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1C ZINC000569417679 822920174 /nfs/dbraw/zinc/92/01/74/822920174.db2.gz YIMBTZWLUWWFQG-UHFFFAOYSA-N 1 0 394.515 4.191 20 0 GIADRO COc1cc2c(cc1F)CC[C@H]2[NH2+]C[C@@H](O)COc1cccc2ccccc21 ZINC000569420697 822920789 /nfs/dbraw/zinc/92/07/89/822920789.db2.gz ULJYIXJVLSKUTG-DYESRHJHSA-N 1 0 381.447 4.004 20 0 GIADRO COc1cc2c(cc1F)CC[C@@H]2[NH2+]C[C@@H](O)COc1cccc2ccccc21 ZINC000569420699 822920796 /nfs/dbraw/zinc/92/07/96/822920796.db2.gz ULJYIXJVLSKUTG-UTKZUKDTSA-N 1 0 381.447 4.004 20 0 GIADRO O=C(CC[NH+]1CCC(C2CCOCC2)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000569422939 822920986 /nfs/dbraw/zinc/92/09/86/822920986.db2.gz RPKPEKPKJDZBRO-UHFFFAOYSA-N 1 0 384.442 4.173 20 0 GIADRO CC(C)(C)C1CC(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)C1 ZINC000457808178 822921267 /nfs/dbraw/zinc/92/12/67/822921267.db2.gz CPVRMAAIIMOPDH-LZBANZJXSA-N 1 0 398.591 4.104 20 0 GIADRO Cc1c(Cl)cncc1C(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000457807202 822921332 /nfs/dbraw/zinc/92/13/32/822921332.db2.gz CDAISINOHBAGTO-UHFFFAOYSA-N 1 0 383.923 4.172 20 0 GIADRO FC(F)(F)COc1ccccc1C[NH2+]Cc1cncc(Br)c1 ZINC000186601332 822921724 /nfs/dbraw/zinc/92/17/24/822921724.db2.gz QUZBOBGMQBWPLC-UHFFFAOYSA-N 1 0 375.188 4.075 20 0 GIADRO C[C@@H](C(=O)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1)c1ccc(Cl)s1 ZINC000186602934 822921979 /nfs/dbraw/zinc/92/19/79/822921979.db2.gz OLWROYRPIGREPQ-ZBFHGGJFSA-N 1 0 377.941 4.071 20 0 GIADRO CCSc1cc(C(=O)N(CC)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccn1 ZINC000175277154 822922224 /nfs/dbraw/zinc/92/22/24/822922224.db2.gz LTRUIOQGCQOBJS-LJQANCHMSA-N 1 0 383.561 4.178 20 0 GIADRO O=C(c1cc(Cl)ccc1Cl)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000186604091 822922279 /nfs/dbraw/zinc/92/22/79/822922279.db2.gz ZXHPZDHXLDWYHV-MRXNPFEDSA-N 1 0 378.303 4.173 20 0 GIADRO O=C(c1cc(Cl)ccc1Cl)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000186604108 822922315 /nfs/dbraw/zinc/92/23/15/822922315.db2.gz ZXHPZDHXLDWYHV-INIZCTEOSA-N 1 0 378.303 4.173 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc2c(cccc2F)[nH]1 ZINC000175279826 822923030 /nfs/dbraw/zinc/92/30/30/822923030.db2.gz HEFYZNGJPOVILW-GOSISDBHSA-N 1 0 379.479 4.291 20 0 GIADRO Brc1cncc(C[NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)c1 ZINC000186611562 822923298 /nfs/dbraw/zinc/92/32/98/822923298.db2.gz VEYXBROIMQSFRW-UHFFFAOYSA-N 1 0 393.288 4.473 20 0 GIADRO Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)s1 ZINC000054948123 822924031 /nfs/dbraw/zinc/92/40/31/822924031.db2.gz GSKIGZRBOMXDHM-RDJZCZTQSA-N 1 0 399.560 4.104 20 0 GIADRO C[C@@H]([NH2+]Cc1cc(Cl)cc2c1OCC2)c1ccc(OCc2nccn2C)cc1 ZINC000186616012 822924067 /nfs/dbraw/zinc/92/40/67/822924067.db2.gz QKQUXNASBPRSMQ-OAHLLOKOSA-N 1 0 397.906 4.438 20 0 GIADRO C[NH+](C)CCCCC(=O)N1CCCC[C@H]1Cc1cccc(Br)c1 ZINC000569447803 822924580 /nfs/dbraw/zinc/92/45/80/822924580.db2.gz NXNFIXVBEXJAAU-SFHVURJKSA-N 1 0 381.358 4.105 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(C(C)(C)O)cc1)c1ccc(I)cc1 ZINC000186622839 822925100 /nfs/dbraw/zinc/92/51/00/822925100.db2.gz SCBHLXSWBYLFQK-ZDUSSCGKSA-N 1 0 395.284 4.369 20 0 GIADRO COCC[C@H](Cc1cccc(F)c1)[NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000186625556 822925410 /nfs/dbraw/zinc/92/54/10/822925410.db2.gz AZAYQDYJNQSSHU-FGZHOGPDSA-N 1 0 385.458 4.025 20 0 GIADRO COc1ccccc1[C@H](CNC(=S)Nc1ccccc1C#N)[NH+]1CCCCC1 ZINC000054971291 822926297 /nfs/dbraw/zinc/92/62/97/822926297.db2.gz ZOBDMXXILSHSRB-FQEVSTJZSA-N 1 0 394.544 4.080 20 0 GIADRO CC[N@@H+]1CCCN(c2nnc(CSc3ccc(Cl)cc3)n2C2CC2)CC1 ZINC000569466315 822926377 /nfs/dbraw/zinc/92/63/77/822926377.db2.gz SGFQLDMJHLPGOH-UHFFFAOYSA-N 1 0 391.972 4.091 20 0 GIADRO CC1(C)CC[N@H+](CC(=O)N[C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)C1 ZINC000569473677 822927388 /nfs/dbraw/zinc/92/73/88/822927388.db2.gz UAHOVAZVSDWIFA-IBGZPJMESA-N 1 0 398.469 4.021 20 0 GIADRO Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000569477221 822927969 /nfs/dbraw/zinc/92/79/69/822927969.db2.gz ZBDAXVPMQOAJKU-KURKYZTESA-N 1 0 394.494 4.236 20 0 GIADRO O=C(CC[N@@H+]1CC[C@]2(C1)OCc1ccccc12)Nc1cccc(C(F)(F)F)c1 ZINC000186642630 822928372 /nfs/dbraw/zinc/92/83/72/822928372.db2.gz YLIBXTULESARQY-HXUWFJFHSA-N 1 0 390.405 4.165 20 0 GIADRO COc1ccc(OC)c([C@H]2CCCN2C(=O)C[N@@H+]2CCC[C@@H]2c2ccccc2)c1 ZINC000054993380 822929219 /nfs/dbraw/zinc/92/92/19/822929219.db2.gz RSIYMRNKCHQGKV-FGZHOGPDSA-N 1 0 394.515 4.204 20 0 GIADRO CC(C)[C@H]([NH2+][C@@H](C)Cn1cc(Br)ccc1=O)c1ccc(F)cc1 ZINC000569511368 822931966 /nfs/dbraw/zinc/93/19/66/822931966.db2.gz DNGYFRIRVWNMKH-UGSOOPFHSA-N 1 0 381.289 4.125 20 0 GIADRO CC(C)[C@H]([NH2+][C@H](C)Cn1cc(Br)ccc1=O)c1ccc(F)cc1 ZINC000569511115 822931974 /nfs/dbraw/zinc/93/19/74/822931974.db2.gz DNGYFRIRVWNMKH-ACJLOTCBSA-N 1 0 381.289 4.125 20 0 GIADRO CC(C)c1noc(-c2ccc(NC(=O)NC3CC[NH+](C4CCCC4)CC3)cc2)n1 ZINC000175315888 822932795 /nfs/dbraw/zinc/93/27/95/822932795.db2.gz MJRYIQMXOBKKNV-UHFFFAOYSA-N 1 0 397.523 4.389 20 0 GIADRO CC(C)c1c(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)cnn1-c1ccc(Cl)cc1 ZINC000569516329 822933111 /nfs/dbraw/zinc/93/31/11/822933111.db2.gz CAHGTBBDSSHBTB-HNNXBMFYSA-N 1 0 376.932 4.108 20 0 GIADRO COc1cc(C[NH2+][C@H]2C[C@H](c3ccccc3)C2)cc(OC)c1OCC(F)F ZINC000569526161 822934463 /nfs/dbraw/zinc/93/44/63/822934463.db2.gz UGCNESWSBGGKMO-QAQDUYKDSA-N 1 0 377.431 4.384 20 0 GIADRO C[C@@H]1[C@@H](C)CCN1C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000175323357 822935138 /nfs/dbraw/zinc/93/51/38/822935138.db2.gz SQJZSVXDPVTBDK-ZWKOTPCHSA-N 1 0 386.540 4.153 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)N[C@H](C(C)(C)C)C(F)(F)F)[C@H]1c1cccs1 ZINC000569541921 822937533 /nfs/dbraw/zinc/93/75/33/822937533.db2.gz GWPBGGJEJNYMNV-VHDGCEQUSA-N 1 0 391.503 4.407 20 0 GIADRO C[C@@H]1c2c(F)cccc2CCN1C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000569556805 822939386 /nfs/dbraw/zinc/93/93/86/822939386.db2.gz GEUHJYXOKLYEHQ-LLVKDONJSA-N 1 0 381.373 4.454 20 0 GIADRO Cc1c(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cccc1-c1ncco1 ZINC000569561830 822940295 /nfs/dbraw/zinc/94/02/95/822940295.db2.gz KIUUCCNIOQFSAT-UXHICEINSA-N 1 0 376.460 4.217 20 0 GIADRO COc1ccccc1Oc1ccc(NC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cc1F ZINC000569573029 822941242 /nfs/dbraw/zinc/94/12/42/822941242.db2.gz OWCHRSASVDMSNQ-QFIPXVFZSA-N 1 0 399.466 4.234 20 0 GIADRO O=C(CC[N@@H+]1CC[C@@]2(C1)OCc1ccccc12)Nc1c(Cl)cccc1Cl ZINC000186708242 822941617 /nfs/dbraw/zinc/94/16/17/822941617.db2.gz GZTBTOSQXUAKDQ-FQEVSTJZSA-N 1 0 391.298 4.453 20 0 GIADRO Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000569579408 822941817 /nfs/dbraw/zinc/94/18/17/822941817.db2.gz KRFDWSPUDLSDHG-DOTOQJQBSA-N 1 0 389.952 4.376 20 0 GIADRO COc1cc(-c2noc(C[N@H+](C[C@@H](C)c3ccccc3)[C@@H](C)CO)n2)ccc1C ZINC000569584694 822942141 /nfs/dbraw/zinc/94/21/41/822942141.db2.gz PLNNMQRNIYDLHZ-MSOLQXFVSA-N 1 0 395.503 4.040 20 0 GIADRO CCc1c(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cnn1-c1ccccc1C ZINC000186711626 822942429 /nfs/dbraw/zinc/94/24/29/822942429.db2.gz CRTZOPVQJCSWHE-RBUKOAKNSA-N 1 0 394.563 4.126 20 0 GIADRO O=C(Nc1cccc(C(=O)c2ccccc2)c1)NC1CC[NH+](C2CCCC2)CC1 ZINC000175353665 822942964 /nfs/dbraw/zinc/94/29/64/822942964.db2.gz FUAMTMJJBQNVTK-UHFFFAOYSA-N 1 0 391.515 4.446 20 0 GIADRO COc1cccc(N2CC[C@H](C[NH2+][C@@H](C)c3ccc(OC)c(OC)c3C)C2)c1 ZINC000569600026 822943515 /nfs/dbraw/zinc/94/35/15/822943515.db2.gz WCQFOZNPPAKTOU-ZWKOTPCHSA-N 1 0 384.520 4.198 20 0 GIADRO C[C@H]([NH3+])[C@H]1CCN(CC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)C1 ZINC000569604910 822943756 /nfs/dbraw/zinc/94/37/56/822943756.db2.gz FCFQPRIMHBOZEQ-GJZGRUSLSA-N 1 0 389.952 4.099 20 0 GIADRO CC[NH+]1CCC(CNC(=O)N(Cc2ccc(F)cc2Cl)CC2CC2)CC1 ZINC000569603518 822943762 /nfs/dbraw/zinc/94/37/62/822943762.db2.gz NFQYIKKUBOKDNJ-UHFFFAOYSA-N 1 0 381.923 4.133 20 0 GIADRO COC(=O)[C@H](NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1ccc(F)cc1 ZINC000569618917 822945842 /nfs/dbraw/zinc/94/58/42/822945842.db2.gz KVTMCBCNLFLMOR-VGOFRKELSA-N 1 0 384.495 4.062 20 0 GIADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@H](C)c1nccs1 ZINC000186728456 822945913 /nfs/dbraw/zinc/94/59/13/822945913.db2.gz YOOIAMUKKWXHOW-RYUDHWBXSA-N 1 0 382.327 4.016 20 0 GIADRO CCOc1ccc(NC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C)c1 ZINC000175360980 822946186 /nfs/dbraw/zinc/94/61/86/822946186.db2.gz KMJJAZPITNPFCN-HXUWFJFHSA-N 1 0 381.520 4.380 20 0 GIADRO Cc1[nH]c2ccc(CNC(=O)N(CC[NH+](C)C)Cc3ccsc3)cc2c1C ZINC000457976928 822946850 /nfs/dbraw/zinc/94/68/50/822946850.db2.gz AFTZRRUMWDGFKK-UHFFFAOYSA-N 1 0 384.549 4.120 20 0 GIADRO CN(C(=O)NCc1cc2ccccc2s1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457980693 822947310 /nfs/dbraw/zinc/94/73/10/822947310.db2.gz IITJVVPSTIRDKI-UHFFFAOYSA-N 1 0 399.482 4.460 20 0 GIADRO COc1ccc(C[C@@H](C)[NH2+][C@H](CO)c2cccc(Cl)c2F)c(C)c1OC ZINC000569635720 822948071 /nfs/dbraw/zinc/94/80/71/822948071.db2.gz FLTODFKBLQSLHT-SJKOYZFVSA-N 1 0 381.875 4.059 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H](CO)c1ccc(Cl)cc1 ZINC000569636299 822948335 /nfs/dbraw/zinc/94/83/35/822948335.db2.gz GRDOHKBJBCBURC-SJCJKPOMSA-N 1 0 397.302 4.042 20 0 GIADRO CCc1nc(CC(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)cs1 ZINC000055281935 822949343 /nfs/dbraw/zinc/94/93/43/822949343.db2.gz NLSLMGXYJUTYBQ-IAGOWNOFSA-N 1 0 385.577 4.042 20 0 GIADRO Cc1nc(CSc2ccc(C(=O)NCC(C)(C)C[NH+](C)C)cc2)cs1 ZINC000055291176 822949942 /nfs/dbraw/zinc/94/99/42/822949942.db2.gz CIUHNUGEAFKIDB-UHFFFAOYSA-N 1 0 377.579 4.061 20 0 GIADRO COc1ccc(CCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1Cl ZINC000055293335 822950285 /nfs/dbraw/zinc/95/02/85/822950285.db2.gz ZHUZIJUYEXJXRK-UHFFFAOYSA-N 1 0 386.923 4.193 20 0 GIADRO CN(C)c1cc(Cl)cc(Cl)c1C[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000569652070 822950487 /nfs/dbraw/zinc/95/04/87/822950487.db2.gz WWTCNOMYEKSSAW-UHFFFAOYSA-N 1 0 393.362 4.209 20 0 GIADRO COc1ccc(CCC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1Cl ZINC000055311176 822950880 /nfs/dbraw/zinc/95/08/80/822950880.db2.gz FSVWPDPSHNFWMS-KRWDZBQOSA-N 1 0 392.952 4.296 20 0 GIADRO CCO[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3 ZINC000569663525 822952371 /nfs/dbraw/zinc/95/23/71/822952371.db2.gz LRAYJKKSQJJEPS-QHSBEEBCSA-N 1 0 375.538 4.130 20 0 GIADRO CCOc1ccc(C[N@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)cc1OCC ZINC000175381241 822952631 /nfs/dbraw/zinc/95/26/31/822952631.db2.gz CFFGWAPVKNXBTK-DXPJPUQTSA-N 1 0 375.534 4.414 20 0 GIADRO Cc1cnc([C@H](C)C[NH2+][C@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)s1 ZINC000186771677 822952685 /nfs/dbraw/zinc/95/26/85/822952685.db2.gz AYDCHUXMSPGNLF-ZIAGYGMSSA-N 1 0 379.957 4.235 20 0 GIADRO CSCCCCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000186777663 822953914 /nfs/dbraw/zinc/95/39/14/822953914.db2.gz DGGBUOBWMYPSFR-KRWDZBQOSA-N 1 0 384.611 4.045 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc2c(c1)OCO2)C(=O)Nc1cccc(Cl)c1Cl ZINC000055374774 822955559 /nfs/dbraw/zinc/95/55/59/822955559.db2.gz GAVGFSRMGQWHNG-GHMZBOCLSA-N 1 0 381.259 4.400 20 0 GIADRO C[C@H]1C[C@H](NC(=O)Nc2ccc(Oc3cccc(C(F)(F)F)n3)cc2)CC[NH2+]1 ZINC000569691356 822955679 /nfs/dbraw/zinc/95/56/79/822955679.db2.gz GONVMYHRWPUZNW-GXTWGEPZSA-N 1 0 394.397 4.155 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(N2CCCCC2)cc1)c1ccc2c(c1)OCO2 ZINC000055375098 822955853 /nfs/dbraw/zinc/95/58/53/822955853.db2.gz MMLMABKBMBHKIW-SJORKVTESA-N 1 0 395.503 4.083 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Cl)cc1Cl)c1ccc2c(c1)OCO2 ZINC000055374904 822955868 /nfs/dbraw/zinc/95/58/68/822955868.db2.gz SNHBZOUGGJNWJN-MNOVXSKESA-N 1 0 381.259 4.400 20 0 GIADRO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000055375680 822956147 /nfs/dbraw/zinc/95/61/47/822956147.db2.gz YMFKXELKCGVJET-CHWSQXEVSA-N 1 0 390.867 4.064 20 0 GIADRO Cc1ccc([C@H](C)NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)cc1C ZINC000458086407 822956542 /nfs/dbraw/zinc/95/65/42/822956542.db2.gz OHSATWQCMQOFAD-INIZCTEOSA-N 1 0 385.474 4.423 20 0 GIADRO C[NH+](C)[C@@H](CNc1nc(-c2ccncc2)nc2ccccc21)c1cccs1 ZINC000055396799 822957332 /nfs/dbraw/zinc/95/73/32/822957332.db2.gz OUQZQMQSACLMJF-SFHVURJKSA-N 1 0 375.501 4.468 20 0 GIADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(C2SCCCS2)cc1 ZINC000055403088 822957819 /nfs/dbraw/zinc/95/78/19/822957819.db2.gz RYRKKYAPWXZHSO-HZPDHXFCSA-N 1 0 378.607 4.406 20 0 GIADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CCc1ncc(-c2ccccc2Cl)o1 ZINC000055404772 822957997 /nfs/dbraw/zinc/95/79/97/822957997.db2.gz KYDZPFAGYCWOFE-HZPDHXFCSA-N 1 0 389.927 4.164 20 0 GIADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000055404768 822958141 /nfs/dbraw/zinc/95/81/41/822958141.db2.gz QYSXMINGUIDUDD-JKSUJKDBSA-N 1 0 389.927 4.164 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)c(CC(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)s1 ZINC000569721766 822959142 /nfs/dbraw/zinc/95/91/42/822959142.db2.gz HURFFSZZMMPAHD-QGZVFWFLSA-N 1 0 397.588 4.302 20 0 GIADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2sc(C3CCCC3)nc2C)cc1 ZINC000569731916 822960039 /nfs/dbraw/zinc/96/00/39/822960039.db2.gz AZQCMNHPOXYMGD-GOSISDBHSA-N 1 0 387.549 4.150 20 0 GIADRO CCc1cnccc1[C@@H](C)[NH2+]CC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C ZINC000569730688 822960123 /nfs/dbraw/zinc/96/01/23/822960123.db2.gz JHWHAHZBUQEBLS-MRXNPFEDSA-N 1 0 391.519 4.044 20 0 GIADRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000186823908 822961674 /nfs/dbraw/zinc/96/16/74/822961674.db2.gz IPRPRMUYCGOWSE-PMACEKPBSA-N 1 0 378.944 4.128 20 0 GIADRO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CCCc1nc(-c2ccccc2)no1 ZINC000175413075 822962615 /nfs/dbraw/zinc/96/26/15/822962615.db2.gz QWNMMAYKJSKJPE-JWIGPWBQSA-N 1 0 383.517 4.100 20 0 GIADRO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CCCc1nc(-c2ccccc2)no1 ZINC000175413097 822962666 /nfs/dbraw/zinc/96/26/66/822962666.db2.gz QWNMMAYKJSKJPE-RKOGDMNLSA-N 1 0 383.517 4.100 20 0 GIADRO C[N@@H+]1CCC[C@H](CCNC(=O)[C@H]2CC=CC[C@@H]2c2nc3ccccc3s2)C1 ZINC000458157633 822963682 /nfs/dbraw/zinc/96/36/82/822963682.db2.gz CUGKYMNHWOODSO-SQNIBIBYSA-N 1 0 383.561 4.194 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(F)c(Cl)nc1Cl ZINC000175416223 822963738 /nfs/dbraw/zinc/96/37/38/822963738.db2.gz XAMIXTGZSOTPKW-AWEZNQCLSA-N 1 0 396.293 4.122 20 0 GIADRO O=C(N[C@@H]1CCCc2cn(C3CCCC3)nc21)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000569754999 822964039 /nfs/dbraw/zinc/96/40/39/822964039.db2.gz AFVNHBABYMAILO-LEWJYISDSA-N 1 0 399.583 4.036 20 0 GIADRO Cc1ccccc1[C@H](NC(=O)NC1CC[NH+](Cc2ccncc2)CC1)C(C)(C)C ZINC000175419595 822964383 /nfs/dbraw/zinc/96/43/83/822964383.db2.gz PGZMQJNRFVDKPM-QFIPXVFZSA-N 1 0 394.563 4.441 20 0 GIADRO CC[NH+](CC)[C@H](c1nc(-c2ccc(OCC(F)F)nc2)no1)c1ccccc1 ZINC000569765876 822965750 /nfs/dbraw/zinc/96/57/50/822965750.db2.gz CKIGAWDLFSWLOU-SFHVURJKSA-N 1 0 388.418 4.207 20 0 GIADRO CC(C)c1c(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)cnn1-c1cccc(Cl)c1 ZINC000458180135 822965808 /nfs/dbraw/zinc/96/58/08/822965808.db2.gz YNDJBWWXHURRBO-INIZCTEOSA-N 1 0 388.943 4.111 20 0 GIADRO Cc1cc(C[NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)cc(C)c1OC(F)F ZINC000055472628 822967824 /nfs/dbraw/zinc/96/78/24/822967824.db2.gz XCBOBECEGPYUFH-UHFFFAOYSA-N 1 0 388.458 4.431 20 0 GIADRO CC(C)c1c(C(=O)NCC[C@H]2CCC[N@H+](C)C2)cnn1-c1ccccc1Cl ZINC000458208001 822968906 /nfs/dbraw/zinc/96/89/06/822968906.db2.gz JLFXWLYLKIEXGN-MRXNPFEDSA-N 1 0 388.943 4.111 20 0 GIADRO C[N@@H+]1CCC[C@H](CCNC(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)C1 ZINC000458207211 822968935 /nfs/dbraw/zinc/96/89/35/822968935.db2.gz JDJXYODEGDZYDO-CQSZACIVSA-N 1 0 396.409 4.307 20 0 GIADRO C[C@@H]([NH2+]CCCCCS(C)(=O)=O)c1cc2cc(Br)ccc2o1 ZINC000186858298 822969168 /nfs/dbraw/zinc/96/91/68/822969168.db2.gz YBDXQVFBQBIUHR-GFCCVEGCSA-N 1 0 388.327 4.061 20 0 GIADRO CN1C(=O)CCc2cc(C[N@H+](C)Cc3ccccc3OC(F)(F)F)ccc21 ZINC000186870805 822971679 /nfs/dbraw/zinc/97/16/79/822971679.db2.gz XKKFQARJUGGXPB-UHFFFAOYSA-N 1 0 378.394 4.126 20 0 GIADRO C[C@@H]([NH2+]C[C@H](C1CC1)N(C)Cc1ccccc1)c1ccc(N2CCOC2=O)cc1 ZINC000186876706 822972947 /nfs/dbraw/zinc/97/29/47/822972947.db2.gz OCPQLMOYFLHZES-WZONZLPQSA-N 1 0 393.531 4.204 20 0 GIADRO CC1(C)OCc2cc(CNc3ccccc3C[NH+]3CCC(CO)CC3)ccc2O1 ZINC000186877452 822973179 /nfs/dbraw/zinc/97/31/79/822973179.db2.gz PLIPMKNHTDJXMD-UHFFFAOYSA-N 1 0 396.531 4.148 20 0 GIADRO CC(C)Cc1ccc([C@H](CNC(=O)[C@@H]2CCC(=O)c3ccccc32)[NH+](C)C)cc1 ZINC000569828397 822973479 /nfs/dbraw/zinc/97/34/79/822973479.db2.gz JVLOBKQQGZIKFT-PKTZIBPZSA-N 1 0 392.543 4.364 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)NCc2cccc3cccnc32)CC[N@@H+]1Cc1ccccc1 ZINC000175461832 822974742 /nfs/dbraw/zinc/97/47/42/822974742.db2.gz QDZSFAPPTXODSP-GCJKJVERSA-N 1 0 388.515 4.087 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000458261377 822975086 /nfs/dbraw/zinc/97/50/86/822975086.db2.gz JCSNCPIJFGBSGO-CYBMUJFWSA-N 1 0 396.457 4.174 20 0 GIADRO CC(C)Oc1ccc(C(=O)Nc2ccc(OCC[NH+](C)C)c(F)c2)c(Cl)c1 ZINC000458266477 822975671 /nfs/dbraw/zinc/97/56/71/822975671.db2.gz BTYGZFZSBCAGRA-UHFFFAOYSA-N 1 0 394.874 4.459 20 0 GIADRO Cc1cc(NC(=O)c2ccc(-c3noc(C(F)F)n3)cc2)ccc1C[NH+](C)C ZINC000458266790 822975709 /nfs/dbraw/zinc/97/57/09/822975709.db2.gz ORSVIXROXMVKDW-UHFFFAOYSA-N 1 0 386.402 4.297 20 0 GIADRO Cc1cc(NC(=O)CCCc2nnc(-c3ccccc3)o2)ccc1C[NH+](C)C ZINC000458268144 822976022 /nfs/dbraw/zinc/97/60/22/822976022.db2.gz FVACGTRPYHJNTM-UHFFFAOYSA-N 1 0 378.476 4.068 20 0 GIADRO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2nc(-c3ccccc3Cl)cs2)C1 ZINC000186896200 822976315 /nfs/dbraw/zinc/97/63/15/822976315.db2.gz WZIZXYYVPFJHGB-CQSZACIVSA-N 1 0 377.941 4.202 20 0 GIADRO COc1ccc(COC[C@H](O)C[NH2+][C@H](C)c2nc(-c3ccccc3)cs2)cc1 ZINC000569855570 822976366 /nfs/dbraw/zinc/97/63/66/822976366.db2.gz ACAOUJNINWEXFZ-VQIMIIECSA-N 1 0 398.528 4.047 20 0 GIADRO CC(C)[C@H]1CCCC[C@@H]1NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458273381 822976698 /nfs/dbraw/zinc/97/66/98/822976698.db2.gz WTWJBZSFBYCZTL-SJORKVTESA-N 1 0 377.495 4.259 20 0 GIADRO Cc1cccc(Br)c1C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000458278063 822977231 /nfs/dbraw/zinc/97/72/31/822977231.db2.gz QUGWPVITUFVYAU-UHFFFAOYSA-N 1 0 395.272 4.089 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)CSc1ccc(F)c(F)c1 ZINC000055553080 822977581 /nfs/dbraw/zinc/97/75/81/822977581.db2.gz AULSRQSMAZBDDM-UHFFFAOYSA-N 1 0 394.487 4.416 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)c2scnc2C2CCCC2)cc1F ZINC000458283710 822977827 /nfs/dbraw/zinc/97/78/27/822977827.db2.gz JACUUHIHFVUGCU-UHFFFAOYSA-N 1 0 377.485 4.133 20 0 GIADRO Cc1cc(NC(=O)[C@H](c2c(F)cccc2Cl)N(C)C)ccc1C[NH+](C)C ZINC000458294148 822979786 /nfs/dbraw/zinc/97/97/86/822979786.db2.gz VNBWGKXDONGEDJ-IBGZPJMESA-N 1 0 377.891 4.091 20 0 GIADRO CC(C)[C@@H]1CCC[C@H](NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000458296230 822980054 /nfs/dbraw/zinc/98/00/54/822980054.db2.gz QWDQGSRZNUNOMH-CVEARBPZSA-N 1 0 377.495 4.259 20 0 GIADRO C[N@H+](CCCCNC(=O)NC1(c2ccc(Br)cc2)CCC1)C1CC1 ZINC000458298914 822980237 /nfs/dbraw/zinc/98/02/37/822980237.db2.gz ZSVRCJSHRMGFFJ-UHFFFAOYSA-N 1 0 394.357 4.002 20 0 GIADRO CN(C(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1)C1CC[NH+](C)CC1 ZINC000186920808 822980395 /nfs/dbraw/zinc/98/03/95/822980395.db2.gz SBKZQVJXKOCVTJ-UHFFFAOYSA-N 1 0 382.382 4.011 20 0 GIADRO Cn1cc([C@@H](NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c2ccccc2)cn1 ZINC000569891933 822981576 /nfs/dbraw/zinc/98/15/76/822981576.db2.gz HCZQSINOGNWJEI-DHLKQENFSA-N 1 0 388.559 4.401 20 0 GIADRO Cc1cc(NC(=O)Cn2c3ccccc3nc2C(F)(F)F)ccc1C[NH+](C)C ZINC000458311033 822981938 /nfs/dbraw/zinc/98/19/38/822981938.db2.gz GWKOVZWCACZCTA-UHFFFAOYSA-N 1 0 390.409 4.064 20 0 GIADRO COc1cc2c(c(OC)c1OC)CC[N@H+](CCc1ccc(F)cc1Cl)CC2 ZINC000569895214 822982033 /nfs/dbraw/zinc/98/20/33/822982033.db2.gz OJBKDDYNAGZCJT-UHFFFAOYSA-N 1 0 393.886 4.148 20 0 GIADRO CCN(C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)[C@H](C)Cc1ccsc1 ZINC000186934865 822983236 /nfs/dbraw/zinc/98/32/36/822983236.db2.gz LYXUZKZPMZSYRL-DENIHFKCSA-N 1 0 399.604 4.275 20 0 GIADRO C(=C\[C@H]1CCCCC[N@H+]1Cc1cnc(N2CCOCC2)s1)\c1ccccc1 ZINC000569914155 822985217 /nfs/dbraw/zinc/98/52/17/822985217.db2.gz SMJAOBPQMNOXHC-JPMGXVIASA-N 1 0 383.561 4.438 20 0 GIADRO Cn1c2ccccc2nc1[C@@H]1CCCN1C(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000569923196 822986081 /nfs/dbraw/zinc/98/60/81/822986081.db2.gz GKOPECSGOSVVML-RXVVDRJESA-N 1 0 382.552 4.315 20 0 GIADRO Cc1noc(C)c1C(=O)C(C(=S)Nc1ccc(Cl)cc1)[n+]1ccccc1 ZINC000186956863 822986688 /nfs/dbraw/zinc/98/66/88/822986688.db2.gz HCPXHTSMGMBDLU-UHFFFAOYSA-O 1 0 386.884 4.283 20 0 GIADRO CCO[C@@H]1CCN(C(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)C[C@H]1C ZINC000458368256 822987700 /nfs/dbraw/zinc/98/77/00/822987700.db2.gz ISIHXWZSTWXMIX-SVFBPWRDSA-N 1 0 387.568 4.107 20 0 GIADRO C[NH+](C)CCc1ccc(C(=O)Nc2cccc(CSC3CCOCC3)c2)cc1 ZINC000569939030 822988030 /nfs/dbraw/zinc/98/80/30/822988030.db2.gz HEMRDUYTXOFYAX-UHFFFAOYSA-N 1 0 398.572 4.455 20 0 GIADRO CN(Cc1ccc(F)c(F)c1)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000175515944 822988669 /nfs/dbraw/zinc/98/86/69/822988669.db2.gz OWJYTEJAFVOCFA-DNVCBOLYSA-N 1 0 393.503 4.251 20 0 GIADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1cc2ccccc2nc1C ZINC000175516055 822988759 /nfs/dbraw/zinc/98/87/59/822988759.db2.gz ZOLVWUONBBRBKV-UHFFFAOYSA-N 1 0 381.442 4.280 20 0 GIADRO c1ccc(-c2nc3ccccc3n2Cc2nc(CC34CCC[NH+]3CCC4)no2)cc1 ZINC000569949188 822988866 /nfs/dbraw/zinc/98/88/66/822988866.db2.gz DYEJTBOMVMOPJZ-UHFFFAOYSA-N 1 0 399.498 4.306 20 0 GIADRO C[C@H]1C[NH+](CC2CCN(C(=O)Nc3cccc(C(C)(F)F)c3)CC2)C[C@H](C)O1 ZINC000186969268 822989362 /nfs/dbraw/zinc/98/93/62/822989362.db2.gz MSMVINBRMUWFJA-HOTGVXAUSA-N 1 0 395.494 4.151 20 0 GIADRO CN(C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)[C@@H]1CCc2ccccc2C1 ZINC000175520006 822989824 /nfs/dbraw/zinc/98/98/24/822989824.db2.gz BTFAUVQNAPGDLF-KCZVDYSFSA-N 1 0 397.588 4.330 20 0 GIADRO CC(C)[N@H+](Cc1cccnc1)Cc1cc(Br)c2c(c1)OCCCO2 ZINC000569968877 822990913 /nfs/dbraw/zinc/99/09/13/822990913.db2.gz NVSYMKCEXOJJPE-UHFFFAOYSA-N 1 0 391.309 4.416 20 0 GIADRO O=C(Nc1nc(C2CC[NH2+]CC2)cs1)c1ccc(Sc2ccccn2)cc1 ZINC000569971162 822991583 /nfs/dbraw/zinc/99/15/83/822991583.db2.gz JSYDVRIUJDJVSB-UHFFFAOYSA-N 1 0 396.541 4.409 20 0 GIADRO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]C[C@]1(C)OCCc2sccc21 ZINC000569973639 822991828 /nfs/dbraw/zinc/99/18/28/822991828.db2.gz KXVHMKUMVDBEFB-QFIPXVFZSA-N 1 0 381.545 4.187 20 0 GIADRO Cc1cc(C(=O)N(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)c(C)o1 ZINC000175532526 822992137 /nfs/dbraw/zinc/99/21/37/822992137.db2.gz SBDCKUXSMDVKTH-GOSISDBHSA-N 1 0 394.437 4.423 20 0 GIADRO O=C(Nc1ccc(SCC[NH+]2CCCCC2)cc1)c1ccc(CO)c(F)c1 ZINC000569976276 822992336 /nfs/dbraw/zinc/99/23/36/822992336.db2.gz GLJSHHNVKSPLGS-UHFFFAOYSA-N 1 0 388.508 4.148 20 0 GIADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(C(C)(F)F)c2)[C@H](C)C1 ZINC000186996671 822994412 /nfs/dbraw/zinc/99/44/12/822994412.db2.gz PWBDCFJUZQWLOI-CRAIPNDOSA-N 1 0 383.483 4.057 20 0 GIADRO O[C@@H](C[NH2+]CCCn1cnc2ccccc21)Cn1c2ccccc2c2ccccc21 ZINC000569995285 822994403 /nfs/dbraw/zinc/99/44/03/822994403.db2.gz OIXLRULNNHLLGK-IBGZPJMESA-N 1 0 398.510 4.185 20 0 GIADRO C[C@@H](NC(=O)c1ccc2ncn(-c3ccc(Cl)cc3)c2c1)C1=CC[N@H+](C)CC1 ZINC000569999479 822994786 /nfs/dbraw/zinc/99/47/86/822994786.db2.gz ZQSPXOVFBSBEIP-OAHLLOKOSA-N 1 0 394.906 4.059 20 0 GIADRO Cc1ccccc1[C@@H](CO)[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000570003856 822995321 /nfs/dbraw/zinc/99/53/21/822995321.db2.gz GXWVVTWRLOSXNF-MRXNPFEDSA-N 1 0 399.126 4.343 20 0 GIADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)Cc1cccc(OC(F)F)c1 ZINC000570009245 822996332 /nfs/dbraw/zinc/99/63/32/822996332.db2.gz UAIKOZMRXUUFOH-IBGZPJMESA-N 1 0 375.463 4.170 20 0 GIADRO O[C@H](C[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1)c1ccc(F)cc1Cl ZINC000187007889 822996532 /nfs/dbraw/zinc/99/65/32/822996532.db2.gz SYHYBIYSFXYMQQ-WOJBJXKFSA-N 1 0 381.850 4.097 20 0 GIADRO C[C@@H](CC(=O)NCCc1ccccc1)[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000570012014 822996818 /nfs/dbraw/zinc/99/68/18/822996818.db2.gz IJDGSNDUAUIFJR-HOTGVXAUSA-N 1 0 378.438 4.494 20 0 GIADRO CCCCCOc1ccc([C@@H](C)[NH2+][C@@H](C)C2CCS(=O)(=O)CC2)cc1OC ZINC000187016489 822998150 /nfs/dbraw/zinc/99/81/50/822998150.db2.gz JPTRCCXENSUECX-DLBZAZTESA-N 1 0 397.581 4.128 20 0 GIADRO Cc1cccnc1C(C)(C)C[NH2+]C[C@@H](O)CO[C@H](C)c1ccc(Cl)cc1 ZINC000570038663 822999800 /nfs/dbraw/zinc/99/98/00/822999800.db2.gz GKKQAODRHLWACL-VQIMIIECSA-N 1 0 376.928 4.049 20 0 GIADRO Cc1cccnc1C(C)(C)C[NH2+]C[C@H](O)CO[C@H](C)c1ccc(Cl)cc1 ZINC000570038658 822999883 /nfs/dbraw/zinc/99/98/83/822999883.db2.gz GKKQAODRHLWACL-APWZRJJASA-N 1 0 376.928 4.049 20 0 GIADRO C[C@@H]([NH2+]CCCOCCc1ccccc1)c1ncc(Br)cc1F ZINC000187032860 823001182 /nfs/dbraw/zinc/00/11/82/823001182.db2.gz MKLIEDXFTCWPOS-CQSZACIVSA-N 1 0 381.289 4.283 20 0 GIADRO O=C(N[C@H]1CCc2ccc(-c3ccccc3)cc21)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000187034513 823001453 /nfs/dbraw/zinc/00/14/53/823001453.db2.gz KGXVXEFQEVALFI-ZEQRLZLVSA-N 1 0 390.527 4.101 20 0 GIADRO COc1cccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCCO[C@H](C(C)C)C2)c1 ZINC000570063117 823001880 /nfs/dbraw/zinc/00/18/80/823001880.db2.gz NVGHPLCYIHOFAO-VXKWHMMOSA-N 1 0 382.504 4.122 20 0 GIADRO CCN(C(=O)C[NH2+][C@H](CCO)c1ccc(Cl)cc1)[C@H](C)c1ccc(F)cc1 ZINC000570068809 823002807 /nfs/dbraw/zinc/00/28/07/823002807.db2.gz KBICXAGISDHSOT-FOIQADDNSA-N 1 0 392.902 4.102 20 0 GIADRO CCN(C(=O)C[NH2+][C@@H](CCO)c1ccc(Cl)cc1)[C@H](C)c1ccc(F)cc1 ZINC000570068811 823002935 /nfs/dbraw/zinc/00/29/35/823002935.db2.gz KBICXAGISDHSOT-QRWLVFNGSA-N 1 0 392.902 4.102 20 0 GIADRO COc1ccc([C@H](C)CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000175588158 823002981 /nfs/dbraw/zinc/00/29/81/823002981.db2.gz DRCUVXBSTPUSEJ-LJQANCHMSA-N 1 0 380.532 4.278 20 0 GIADRO C[C@@H](Cc1cnn(C)c1)[NH2+][C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000570076751 823003792 /nfs/dbraw/zinc/00/37/92/823003792.db2.gz HOJXNPCZGWUWCB-KPZWWZAWSA-N 1 0 387.325 4.262 20 0 GIADRO CCC(CC)[C@@H](CNC(=O)Nc1ccc(-c2nc(C3CC3)no2)cc1C)[NH+](C)C ZINC000570077761 823003988 /nfs/dbraw/zinc/00/39/88/823003988.db2.gz CIUOQHKCHMUGPP-LJQANCHMSA-N 1 0 399.539 4.410 20 0 GIADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2nnc(-c3ccc(Br)o3)o2)C1(CC)CC ZINC000187053408 823004173 /nfs/dbraw/zinc/00/41/73/823004173.db2.gz KXNLZVPASURATN-CHWSQXEVSA-N 1 0 398.301 4.166 20 0 GIADRO C/C(=C/c1ccccc1OC(F)F)C[NH2+][C@@H]1CCC[C@H](C(=O)NC(C)C)C1 ZINC000570087953 823004691 /nfs/dbraw/zinc/00/46/91/823004691.db2.gz IVNJOBPGZYKBNP-CAIDRUDRSA-N 1 0 380.479 4.364 20 0 GIADRO COc1cc(F)c(F)cc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000570090716 823004878 /nfs/dbraw/zinc/00/48/78/823004878.db2.gz WYGARHMSAPQOSU-KSSFIOAISA-N 1 0 389.446 4.006 20 0 GIADRO COc1ccc(-c2noc(C[N@@H+]3CC[C@@H](c4ccccc4)[C@H]3C)n2)c(OC)c1 ZINC000175605185 823005433 /nfs/dbraw/zinc/00/54/33/823005433.db2.gz WKNXPMDEEIBMMS-CRAIPNDOSA-N 1 0 379.460 4.132 20 0 GIADRO CC[C@@H](CNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)c1ccccc1 ZINC000175608737 823005950 /nfs/dbraw/zinc/00/59/50/823005950.db2.gz YLQNWFHNLVORRQ-NRFANRHFSA-N 1 0 379.548 4.486 20 0 GIADRO CC(C)OCC[NH+]1CCC(NC(=O)Nc2ccc(OC(C)C)c(Cl)c2)CC1 ZINC000175610210 823006179 /nfs/dbraw/zinc/00/61/79/823006179.db2.gz SNSLAZYXUBOEOY-UHFFFAOYSA-N 1 0 397.947 4.138 20 0 GIADRO CC[C@@H](NC(=O)c1ccccc1)c1noc(-c2cccc(C[NH+]3CCCC3)c2)n1 ZINC000570126504 823008014 /nfs/dbraw/zinc/00/80/14/823008014.db2.gz FWIAHPINOIZEKV-HXUWFJFHSA-N 1 0 390.487 4.214 20 0 GIADRO COc1cc(NC(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)ccc1F ZINC000187084792 823008514 /nfs/dbraw/zinc/00/85/14/823008514.db2.gz XXNPOZXUYWVMKG-FZKQIMNGSA-N 1 0 377.485 4.100 20 0 GIADRO COc1cc(NC(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)ccc1F ZINC000187084812 823008592 /nfs/dbraw/zinc/00/85/92/823008592.db2.gz XXNPOZXUYWVMKG-SCLBCKFNSA-N 1 0 377.485 4.100 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000187097706 823010228 /nfs/dbraw/zinc/01/02/28/823010228.db2.gz DIZZNCZHASCSAU-INIZCTEOSA-N 1 0 376.456 4.379 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000187099910 823010459 /nfs/dbraw/zinc/01/04/59/823010459.db2.gz DHALPTGTQJNEQF-KRWDZBQOSA-N 1 0 385.471 4.189 20 0 GIADRO CN1C(=O)CCc2cc(C[NH2+]CCc3csc(-c4ccccc4)n3)ccc21 ZINC000187102664 823010791 /nfs/dbraw/zinc/01/07/91/823010791.db2.gz YRZXAWRJPOQRIN-UHFFFAOYSA-N 1 0 377.513 4.051 20 0 GIADRO CCN(Cc1ccc(OC)cc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000175637723 823010883 /nfs/dbraw/zinc/01/08/83/823010883.db2.gz DNVZXFXJDQTESE-KNQAVFIVSA-N 1 0 395.547 4.280 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH2+]Cc1ccc(Cn2cccn2)cc1 ZINC000187108280 823011484 /nfs/dbraw/zinc/01/14/84/823011484.db2.gz ZYISBGAKNGFKGF-UHFFFAOYSA-N 1 0 384.483 4.292 20 0 GIADRO c1c(C[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)c(-c2ccccn2)nn1C1CCCC1 ZINC000570162484 823011531 /nfs/dbraw/zinc/01/15/31/823011531.db2.gz MSXZSDGFLBIUNW-GCJKJVERSA-N 1 0 380.536 4.451 20 0 GIADRO C[C@H](CCNC(=O)N1CCC(OC2CCCC2)CC1)[N@H+](C)Cc1ccccc1 ZINC000175644256 823011992 /nfs/dbraw/zinc/01/19/92/823011992.db2.gz MOXZCPGDAKHBKB-LJQANCHMSA-N 1 0 387.568 4.030 20 0 GIADRO CCN(CC[NH+]1CCCCCC1)C(=O)c1cnc(Cc2ccc(F)cc2)s1 ZINC000570171966 823012275 /nfs/dbraw/zinc/01/22/75/823012275.db2.gz WPRPDRMQWMUGHA-UHFFFAOYSA-N 1 0 389.540 4.211 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2cnccc2C(F)(F)F)cc1 ZINC000570174422 823012458 /nfs/dbraw/zinc/01/24/58/823012458.db2.gz ZMSDUVIECNCCOV-OAHLLOKOSA-N 1 0 391.437 4.405 20 0 GIADRO Cc1ccc(-c2cnc(CCC(=O)N(CC[NH+](C)C)Cc3cccs3)o2)cc1 ZINC000175654112 823013487 /nfs/dbraw/zinc/01/34/87/823013487.db2.gz PVNWXMCKZXBXPM-UHFFFAOYSA-N 1 0 397.544 4.235 20 0 GIADRO C[C@@H]([NH2+]CC(C)(C)c1ccc(Cl)c(Cl)c1)C1CCS(=O)(=O)CC1 ZINC000187123373 823013992 /nfs/dbraw/zinc/01/39/92/823013992.db2.gz VXTNNKDGAICZCG-GFCCVEGCSA-N 1 0 378.365 4.074 20 0 GIADRO C[C@H](Cc1ccc(Br)cc1)[NH2+]Cc1ccc2c(c1)CCC(=O)N2C ZINC000187126480 823014692 /nfs/dbraw/zinc/01/46/92/823014692.db2.gz IVABYTFINGZTJX-CQSZACIVSA-N 1 0 387.321 4.079 20 0 GIADRO CSc1ccc(Cl)cc1NC(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000175661649 823014987 /nfs/dbraw/zinc/01/49/87/823014987.db2.gz IQNDUPSRFDHTHK-UHFFFAOYSA-N 1 0 385.961 4.073 20 0 GIADRO Cc1cc(Br)cc([C@H](C)[NH2+]C2CCN(CC(F)(F)F)CC2)c1O ZINC000187130583 823015139 /nfs/dbraw/zinc/01/51/39/823015139.db2.gz OSRXXKVSSZZGTH-NSHDSACASA-N 1 0 395.263 4.140 20 0 GIADRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1ccc(Oc2cccnc2)cc1 ZINC000175663346 823015326 /nfs/dbraw/zinc/01/53/26/823015326.db2.gz IXKBFTSTJRTVJR-UHFFFAOYSA-N 1 0 381.501 4.139 20 0 GIADRO COc1cc(NC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)ccc1F ZINC000187132534 823015522 /nfs/dbraw/zinc/01/55/22/823015522.db2.gz CXVSVEWGONULSQ-UHFFFAOYSA-N 1 0 385.483 4.210 20 0 GIADRO CC(C)c1ccc([C@@H](C)CC(=O)NC2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000175667072 823016120 /nfs/dbraw/zinc/01/61/20/823016120.db2.gz ZANQSNHFKKAETI-IBGZPJMESA-N 1 0 379.548 4.479 20 0 GIADRO CCC[C@@H]([NH2+][C@H](C)C1CCS(=O)(=O)CC1)c1cccc(C(F)(F)F)c1 ZINC000187141922 823016804 /nfs/dbraw/zinc/01/68/04/823016804.db2.gz WXSJMWHUTKYQOI-CXAGYDPISA-N 1 0 377.472 4.350 20 0 GIADRO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]Cc1coc2ccccc12 ZINC000570230571 823017126 /nfs/dbraw/zinc/01/71/26/823017126.db2.gz RYRRWXCMVHHLKD-OAHLLOKOSA-N 1 0 391.471 4.288 20 0 GIADRO O[C@H](C[N@H+](CCC(F)(F)F)CC1CC1)c1ccc(F)c(Br)c1 ZINC000187145749 823017368 /nfs/dbraw/zinc/01/73/68/823017368.db2.gz BOXJIFRINHCZQY-CQSZACIVSA-N 1 0 384.211 4.286 20 0 GIADRO Cc1cc(Br)cc([C@@H](C)[NH2+]CCCc2nc(C(C)C)no2)c1O ZINC000187147405 823017566 /nfs/dbraw/zinc/01/75/66/823017566.db2.gz HNISFHXVGUXQPR-GFCCVEGCSA-N 1 0 382.302 4.253 20 0 GIADRO CCOc1ccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c(C(F)(F)F)c1 ZINC000175680674 823018977 /nfs/dbraw/zinc/01/89/77/823018977.db2.gz LXWQLBSUPPDKHZ-AGUYFDCRSA-N 1 0 385.430 4.241 20 0 GIADRO C[C@H]1CN(c2ccc(C[NH2+]Cc3cscc3C(F)(F)F)cn2)C[C@H](C)O1 ZINC000570250248 823019131 /nfs/dbraw/zinc/01/91/31/823019131.db2.gz MUUBBTPRRRIOHV-STQMWFEESA-N 1 0 385.455 4.065 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)c2c[nH]nc2-c2ccsc2)CC[N@@H+]1Cc1ccccc1 ZINC000187162811 823019471 /nfs/dbraw/zinc/01/94/71/823019471.db2.gz PQFXIDYBRSJFNR-APWZRJJASA-N 1 0 394.544 4.263 20 0 GIADRO CC(C)OCC[NH+]1CCC(NC(=O)Nc2cccc(SC(F)F)c2)CC1 ZINC000175684110 823019960 /nfs/dbraw/zinc/01/99/60/823019960.db2.gz YYCSJGQMAMIHRV-UHFFFAOYSA-N 1 0 387.496 4.012 20 0 GIADRO COc1ccc(C[C@H](C)[NH2+][C@@H](C)c2ncc(Br)cc2F)cc1OC ZINC000187181500 823021842 /nfs/dbraw/zinc/02/18/42/823021842.db2.gz MGPJXUQHVIBRPL-RYUDHWBXSA-N 1 0 397.288 4.282 20 0 GIADRO CC[C@H](NC(=O)N1CCc2ccccc2[C@H]1C[NH3+])c1ccccc1OC(F)F ZINC000570277315 823021937 /nfs/dbraw/zinc/02/19/37/823021937.db2.gz HWMIZLQDCXJNAF-ZWKOTPCHSA-N 1 0 389.446 4.007 20 0 GIADRO C[C@H](NC(=O)CCc1ncc(-c2ccccc2)o1)[C@@H](c1ccccc1)[NH+](C)C ZINC000187183864 823022016 /nfs/dbraw/zinc/02/20/16/823022016.db2.gz HEMGWIWJZFSMBH-SBUREZEXSA-N 1 0 377.488 4.082 20 0 GIADRO CC(C)Sc1ccc(Cl)cc1NC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000175694687 823022046 /nfs/dbraw/zinc/02/20/46/823022046.db2.gz MCBORJGDQGBTEP-UHFFFAOYSA-N 1 0 397.972 4.169 20 0 GIADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](CCC(=O)OC)c2ccccc2)c2ccccc21 ZINC000570286478 823022415 /nfs/dbraw/zinc/02/24/15/823022415.db2.gz UZJQUIGQDVYXPF-VSKRKVRLSA-N 1 0 395.499 4.452 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)Nc2ccc(NC(=O)c3ccco3)c(C)c2)CC1 ZINC000175698221 823022898 /nfs/dbraw/zinc/02/28/98/823022898.db2.gz PZWAQHRYWYJLLU-UHFFFAOYSA-N 1 0 398.507 4.084 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)Cc2c[nH]c3ccc(Cl)cc23)CC1 ZINC000175699671 823023079 /nfs/dbraw/zinc/02/30/79/823023079.db2.gz YWPFKSVJUZNEJS-UHFFFAOYSA-N 1 0 395.934 4.487 20 0 GIADRO O=C1CCCN1[C@H]1CCC[C@H]([NH2+]Cc2cc3cc(Br)ccc3o2)C1 ZINC000570291963 823023103 /nfs/dbraw/zinc/02/31/03/823023103.db2.gz GTDMZOCEZLNSCP-HOTGVXAUSA-N 1 0 391.309 4.219 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)CC[N@@H+]1C ZINC000175700441 823023217 /nfs/dbraw/zinc/02/32/17/823023217.db2.gz JCQYPVRTAUVKDA-NVXWUHKLSA-N 1 0 378.948 4.277 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH2+]Cc1ccc2c(c1)OCCCO2 ZINC000187194307 823023438 /nfs/dbraw/zinc/02/34/38/823023438.db2.gz MKPZMBFIYXDKDK-UHFFFAOYSA-N 1 0 376.456 4.208 20 0 GIADRO CCC(=O)Nc1ccc(NC(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000175726385 823027749 /nfs/dbraw/zinc/02/77/49/823027749.db2.gz JSDUDIHKFHKCGM-OAQYLSRUSA-N 1 0 394.519 4.163 20 0 GIADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)Nc1cccc(-c2nccc(C)n2)c1)c1ccco1 ZINC000570354583 823028380 /nfs/dbraw/zinc/02/83/80/823028380.db2.gz UWAVJIRBAHGUAN-KXBFYZLASA-N 1 0 393.491 4.296 20 0 GIADRO O=C(NC[C@H](c1ccccc1)C(F)(F)F)NC1CC[NH+](C2CCCCC2)CC1 ZINC000187233041 823028533 /nfs/dbraw/zinc/02/85/33/823028533.db2.gz HMBBIQRSRPXBTG-LJQANCHMSA-N 1 0 397.485 4.429 20 0 GIADRO C[C@@H](NC(=O)Cc1csc(Cc2ccccc2)n1)[C@H](c1ccccc1)[NH+](C)C ZINC000187241988 823029422 /nfs/dbraw/zinc/02/94/22/823029422.db2.gz VXKMJDWIYXNELQ-UZUQRXQVSA-N 1 0 393.556 4.084 20 0 GIADRO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000187251301 823030674 /nfs/dbraw/zinc/03/06/74/823030674.db2.gz RRERGFXVECDFJE-NWDGAFQWSA-N 1 0 380.330 4.095 20 0 GIADRO CSC1(CNC(=O)C(Cc2ccccc2)Cc2ccccc2)CC[NH+](C)CC1 ZINC000570374281 823031059 /nfs/dbraw/zinc/03/10/59/823031059.db2.gz QYVMFSXTDFXGRT-UHFFFAOYSA-N 1 0 396.600 4.032 20 0 GIADRO Cc1ccc(C(C)(C)NC(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000570376000 823031130 /nfs/dbraw/zinc/03/11/30/823031130.db2.gz UZSJBQJPYUCZFR-NRFANRHFSA-N 1 0 394.563 4.227 20 0 GIADRO COc1cc(C[NH2+][C@H](C)c2cccc(OC(F)(F)F)c2)cc2c1OCCO2 ZINC000175752431 823031923 /nfs/dbraw/zinc/03/19/23/823031923.db2.gz RZAUCCQKKDGVSG-GFCCVEGCSA-N 1 0 383.366 4.216 20 0 GIADRO Cc1ccc(-c2cnc(CCC(=O)N[C@@H](C)[C@H](c3ccccc3)[NH+](C)C)o2)cc1 ZINC000187261889 823032459 /nfs/dbraw/zinc/03/24/59/823032459.db2.gz PUTDNXBBRWVILP-MHECFPHRSA-N 1 0 391.515 4.390 20 0 GIADRO C[N@H+](CCc1cccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)c1)C1CC1 ZINC000570402125 823033091 /nfs/dbraw/zinc/03/30/91/823033091.db2.gz MQDCWPWFPQWNCJ-UHFFFAOYSA-N 1 0 396.506 4.149 20 0 GIADRO COc1ccccc1-c1nnc(NC(=O)c2cccc(C[NH+]3CCCC3)c2)s1 ZINC000570404726 823033301 /nfs/dbraw/zinc/03/33/01/823033301.db2.gz ZLWBBSLGIQWNKN-UHFFFAOYSA-N 1 0 394.500 4.062 20 0 GIADRO C[C@@H](CNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)Cc1cccs1 ZINC000175762537 823034158 /nfs/dbraw/zinc/03/41/58/823034158.db2.gz CSZWKJUGEJZRJT-GOSISDBHSA-N 1 0 385.577 4.233 20 0 GIADRO COC(=O)CCC[C@H]1CCC[C@H]([NH2+]CCc2nc(C(F)(F)F)cs2)C1 ZINC000570415084 823034773 /nfs/dbraw/zinc/03/47/73/823034773.db2.gz ZRSVNZNRRSXEBO-OLZOCXBDSA-N 1 0 378.460 4.196 20 0 GIADRO COc1cc(CNCC[N@H+]2[C@H](C)CCC[C@@H]2C)ccc1OCc1ccncc1 ZINC000570419791 823035450 /nfs/dbraw/zinc/03/54/50/823035450.db2.gz WXQMQGZVNHIJAG-KDURUIRLSA-N 1 0 383.536 4.022 20 0 GIADRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000187288211 823037266 /nfs/dbraw/zinc/03/72/66/823037266.db2.gz PHSQBNOZPWJVGF-HXUWFJFHSA-N 1 0 389.540 4.021 20 0 GIADRO C[C@@H](C(=O)N1CCC[C@H](c2ccncc2)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000570434684 823037664 /nfs/dbraw/zinc/03/76/64/823037664.db2.gz GCIZIYCOHYZFBW-RDPSFJRHSA-N 1 0 391.559 4.131 20 0 GIADRO COc1c(Br)cccc1C[NH2+]C1CCN(c2cccs2)CC1 ZINC000187292019 823037819 /nfs/dbraw/zinc/03/78/19/823037819.db2.gz XOOXXBVZQQKPKQ-UHFFFAOYSA-N 1 0 381.339 4.278 20 0 GIADRO CCCCCCOc1cc(C)ccc1C[NH2+][C@H](C)C1CCS(=O)(=O)CC1 ZINC000187292866 823037974 /nfs/dbraw/zinc/03/79/74/823037974.db2.gz WZEKIGNQZCHALZ-GOSISDBHSA-N 1 0 381.582 4.257 20 0 GIADRO Cc1cn2cc(NC(=O)NC[C@H]3CCCC[N@H+](Cc4ccccc4)C3)ccc2n1 ZINC000570439320 823038493 /nfs/dbraw/zinc/03/84/93/823038493.db2.gz UVEJCPKHVFTYCP-HXUWFJFHSA-N 1 0 391.519 4.067 20 0 GIADRO COc1c(Br)cccc1C[NH2+]C[C@@H](C[C@@H](C)O)c1ccccc1 ZINC000187298188 823039047 /nfs/dbraw/zinc/03/90/47/823039047.db2.gz XRUDPZJBLWXDHY-RHSMWYFYSA-N 1 0 378.310 4.102 20 0 GIADRO C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@H](O)COC(c1ccccc1)c1ccccc1 ZINC000570444463 823039343 /nfs/dbraw/zinc/03/93/43/823039343.db2.gz JFNDQSBWJJMMOO-DVECYGJZSA-N 1 0 391.511 4.080 20 0 GIADRO COc1cccc([C@H]2C[C@H](N(C)C(=O)NCCCCC[NH+]3CCCCC3)C2)c1 ZINC000458430870 823039349 /nfs/dbraw/zinc/03/93/49/823039349.db2.gz MUQNTIAQDOWAQY-MEMLXQNLSA-N 1 0 387.568 4.239 20 0 GIADRO CSCC1CCC(NC(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1 ZINC000458431392 823039624 /nfs/dbraw/zinc/03/96/24/823039624.db2.gz OIMICWCAGQSPCP-MPLMCADHSA-N 1 0 395.638 4.352 20 0 GIADRO CCOc1ccccc1CNC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000175789449 823040656 /nfs/dbraw/zinc/04/06/56/823040656.db2.gz BEBHWLQEGCSVGT-XLIONFOSSA-N 1 0 387.549 4.029 20 0 GIADRO CCc1ncsc1NC(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000570468740 823042063 /nfs/dbraw/zinc/04/20/63/823042063.db2.gz ZNZNGRNBDVLITM-WBMJQRKESA-N 1 0 396.919 4.313 20 0 GIADRO C[C@H]([NH2+]CC1(c2ccc(C(C)(C)C)cc2)CCC1)C1CCS(=O)(=O)CC1 ZINC000187322664 823043441 /nfs/dbraw/zinc/04/34/41/823043441.db2.gz DUUWJJHWKJWODG-KRWDZBQOSA-N 1 0 377.594 4.209 20 0 GIADRO CC(C)[N@H+](CCc1nccs1)C[C@H](O)c1ccc(F)c(Br)c1 ZINC000187327880 823044135 /nfs/dbraw/zinc/04/41/35/823044135.db2.gz VEWYOAAPXGYRFU-HNNXBMFYSA-N 1 0 387.318 4.031 20 0 GIADRO COc1ccc(OCc2ccccn2)c(C[N@@H+]2CCC[C@@H]2c2ccncc2)c1 ZINC000570486372 823044740 /nfs/dbraw/zinc/04/47/40/823044740.db2.gz VSXOIZJOBKCLMG-JOCHJYFZSA-N 1 0 375.472 4.401 20 0 GIADRO O=C(CCCc1cc(F)ccc1F)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000123798813 823541752 /nfs/dbraw/zinc/54/17/52/823541752.db2.gz BUPGOFLDQMPUJG-UHFFFAOYSA-N 1 0 390.449 4.207 20 0 GIADRO C[C@H](CCc1ccco1)NC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000060566763 823542945 /nfs/dbraw/zinc/54/29/45/823542945.db2.gz CSFHXRRILNSOQS-LJQANCHMSA-N 1 0 383.536 4.476 20 0 GIADRO CC(C)c1ccc(C[C@H]2CCN(C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)cc1 ZINC000460924066 823543339 /nfs/dbraw/zinc/54/33/39/823543339.db2.gz FPCFBNVGEJKCDR-SNWXZZBVSA-N 1 0 383.580 4.399 20 0 GIADRO Cc1c([C@H](C)[NH2+]Cc2cccnc2-n2cccn2)cnn1-c1cc(C)ccc1C ZINC000177902415 823543940 /nfs/dbraw/zinc/54/39/40/823543940.db2.gz VXDWVSYYICYJIQ-SFHVURJKSA-N 1 0 386.503 4.229 20 0 GIADRO C[C@@H]([NH2+]CCOc1cccc(C(F)(F)F)c1)c1ccc(-n2cncn2)cc1 ZINC000177902573 823544019 /nfs/dbraw/zinc/54/40/19/823544019.db2.gz KYRYOPXAJCTRNV-CQSZACIVSA-N 1 0 376.382 4.016 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)C2(c3ccc(Br)cc3)CCCC2)CC[N@@H+]1C ZINC000123832509 823544050 /nfs/dbraw/zinc/54/40/50/823544050.db2.gz RVNBBELZCUOKSA-CRAIPNDOSA-N 1 0 393.369 4.202 20 0 GIADRO C[N@@H+]1CC[C@H](CNC(=O)c2cccc3ncccc32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123835196 823544133 /nfs/dbraw/zinc/54/41/33/823544133.db2.gz JIHKFQOHLQQCKM-VFNWGFHPSA-N 1 0 397.881 4.450 20 0 GIADRO O=C(c1cn2ccnc2s1)N(CCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000411097193 823545332 /nfs/dbraw/zinc/54/53/32/823545332.db2.gz BFKWBICZHPLFEM-UHFFFAOYSA-N 1 0 388.924 4.182 20 0 GIADRO CC[C@H]1C[C@H](C(=O)N(CCC[NH+]2CCCC2)c2ccc(Cl)cc2)CCO1 ZINC000411099540 823545790 /nfs/dbraw/zinc/54/57/90/823545790.db2.gz GWDYZJRATZQORL-XLIONFOSSA-N 1 0 378.944 4.364 20 0 GIADRO O=C(c1ncc(F)cc1F)N(CCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000411101741 823546148 /nfs/dbraw/zinc/54/61/48/823546148.db2.gz MAMRFKUZJNXQDL-UHFFFAOYSA-N 1 0 379.838 4.146 20 0 GIADRO CC[C@H]([NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)c1ccc(OC)cc1 ZINC000177921603 823546418 /nfs/dbraw/zinc/54/64/18/823546418.db2.gz GGYSVMAJRVAMQA-PNCHPQGNSA-N 1 0 396.531 4.186 20 0 GIADRO CC[C@H]([NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)c1ccc(C)cc1 ZINC000177920370 823546564 /nfs/dbraw/zinc/54/65/64/823546564.db2.gz LJMRLGBOAHVJFB-PWHSHALESA-N 1 0 380.532 4.485 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)c1cc(F)cc(F)c1 ZINC000177922200 823546678 /nfs/dbraw/zinc/54/66/78/823546678.db2.gz ZWEHKWBLHHMBDO-XHSDSOJGSA-N 1 0 388.458 4.065 20 0 GIADRO C[C@H]1CC(=O)CC[C@H]1C(=O)N(CCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000411105884 823547278 /nfs/dbraw/zinc/54/72/78/823547278.db2.gz YUNPUQGNDDNOGC-OXJNMPFZSA-N 1 0 376.928 4.164 20 0 GIADRO COc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(Cn3ccccc3=O)cc2)cc1OC ZINC000177929051 823547270 /nfs/dbraw/zinc/54/72/70/823547270.db2.gz MVUVOUVFYNLOMB-GOSISDBHSA-N 1 0 392.499 4.073 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1c(F)c(F)cc(F)c1F ZINC000177930637 823547488 /nfs/dbraw/zinc/54/74/88/823547488.db2.gz DMIXRDKMOVZZON-OAHLLOKOSA-N 1 0 394.412 4.227 20 0 GIADRO COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2ccc(Cn3ccccc3=O)cc2)cc1 ZINC000177930965 823547565 /nfs/dbraw/zinc/54/75/65/823547565.db2.gz GBBAKFMEWHOTJJ-RTBURBONSA-N 1 0 376.500 4.187 20 0 GIADRO O=c1ccccn1Cc1ccc(C[NH2+][C@H]2CCSc3c(F)cccc32)cc1 ZINC000177931320 823547647 /nfs/dbraw/zinc/54/76/47/823547647.db2.gz OQCQPVVOHPNKAV-FQEVSTJZSA-N 1 0 380.488 4.362 20 0 GIADRO Cc1cc(C(=O)N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)ccc1NC(=O)CC(C)C ZINC000460945544 823548119 /nfs/dbraw/zinc/54/81/19/823548119.db2.gz AZBKNVIDCHPMIB-ZVDOUQERSA-N 1 0 399.579 4.457 20 0 GIADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1csc(-c2ccccc2OC)n1 ZINC000123874681 823548340 /nfs/dbraw/zinc/54/83/40/823548340.db2.gz FXOGXYNFRVGSTK-OAHLLOKOSA-N 1 0 375.538 4.059 20 0 GIADRO Fc1ccc(-c2nnc(SCC[NH+]3CCCCC3)n2Cc2ccco2)cc1 ZINC000123876992 823548453 /nfs/dbraw/zinc/54/84/53/823548453.db2.gz JUKZIPJDEJOLIH-UHFFFAOYSA-N 1 0 386.496 4.304 20 0 GIADRO CC[C@@H](NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)c1c(C)noc1C ZINC000123877661 823548632 /nfs/dbraw/zinc/54/86/32/823548632.db2.gz YSKSVUZYVPYFIU-HXUWFJFHSA-N 1 0 384.524 4.049 20 0 GIADRO CN(Cc1cccc(Cl)c1Cl)C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000411128124 823550331 /nfs/dbraw/zinc/55/03/31/823550331.db2.gz DSTCLUDUDOBYTG-OAHLLOKOSA-N 1 0 387.376 4.169 20 0 GIADRO C[C@@H]([NH2+]C[C@@H]1Cc2ccccc2O1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000123905021 823550477 /nfs/dbraw/zinc/55/04/77/823550477.db2.gz VQJSMMRGALFWBB-APWZRJJASA-N 1 0 385.529 4.057 20 0 GIADRO CCOc1c(OC)cc(C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)cc1OC ZINC000123919872 823551751 /nfs/dbraw/zinc/55/17/51/823551751.db2.gz KTTYYWRXONKTDF-UHFFFAOYSA-N 1 0 395.503 4.358 20 0 GIADRO C[C@H]1c2ccsc2CC[N@H+]1CCC(=O)Nc1ccccc1Br ZINC000411149635 823551980 /nfs/dbraw/zinc/55/19/80/823551980.db2.gz WJVZLHNORIFTPR-LBPRGKRZSA-N 1 0 379.323 4.459 20 0 GIADRO Cn1c(CC[NH2+]Cc2ccc(OCc3ccncc3)cc2)nc2cc(F)ccc21 ZINC000123923221 823552144 /nfs/dbraw/zinc/55/21/44/823552144.db2.gz CEXFXRWRBMDZIG-UHFFFAOYSA-N 1 0 390.462 4.019 20 0 GIADRO C[C@H](Oc1ccccc1)C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123928793 823552443 /nfs/dbraw/zinc/55/24/43/823552443.db2.gz QTDCLLGBXMPBFB-YYFZDKIDSA-N 1 0 390.886 4.056 20 0 GIADRO COCCCOc1cccc(C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)c1 ZINC000123927647 823552524 /nfs/dbraw/zinc/55/25/24/823552524.db2.gz YQIMTZVFYCXYTE-UHFFFAOYSA-N 1 0 379.504 4.358 20 0 GIADRO C[N@@H+]1CC[C@H](CNC(=O)c2cc3ccccc3[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123932055 823552765 /nfs/dbraw/zinc/55/27/65/823552765.db2.gz WDJHTHRKPZSKQP-QRWLVFNGSA-N 1 0 385.870 4.383 20 0 GIADRO CSC1(CNC(=O)c2ccc(O[C@H](C)c3ccccc3)cc2)CC[NH+](C)CC1 ZINC000460970476 823553127 /nfs/dbraw/zinc/55/31/27/823553127.db2.gz VKPWWTOVXXVOTO-GOSISDBHSA-N 1 0 398.572 4.384 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)c2cc(Br)ccc2C)c1 ZINC000460973319 823553667 /nfs/dbraw/zinc/55/36/67/823553667.db2.gz LRBHFQZFEDEBJI-UHFFFAOYSA-N 1 0 375.310 4.139 20 0 GIADRO CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@]2(C)OCCc3sccc32)cc1 ZINC000460974343 823553860 /nfs/dbraw/zinc/55/38/60/823553860.db2.gz TZHIYNCCKBGSKM-QFIPXVFZSA-N 1 0 386.561 4.198 20 0 GIADRO CC(C)c1ccc(C[C@H]2CC[N@H+](Cc3nc4ccccc4c(=O)n3C)C2)cc1 ZINC000460975358 823554079 /nfs/dbraw/zinc/55/40/79/823554079.db2.gz FURRAQGFLBLFLT-LJQANCHMSA-N 1 0 375.516 4.122 20 0 GIADRO C[C@H]1CCC[C@@](CNC(=O)c2ncoc2-c2ccccc2Cl)([NH+](C)C)C1 ZINC000460976442 823554227 /nfs/dbraw/zinc/55/42/27/823554227.db2.gz JGUWIMHQUOXEJQ-VBKZILBWSA-N 1 0 375.900 4.235 20 0 GIADRO Cc1cc(C)c(Br)c(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000460977479 823554628 /nfs/dbraw/zinc/55/46/28/823554628.db2.gz GSGWONSYSFIYJU-CQSZACIVSA-N 1 0 381.358 4.308 20 0 GIADRO FC(F)(F)COc1cccc(C[NH2+]CCc2nc(-c3ccccn3)cs2)c1 ZINC000123952807 823554882 /nfs/dbraw/zinc/55/48/82/823554882.db2.gz FHHMMQOHEPQQCX-UHFFFAOYSA-N 1 0 393.434 4.479 20 0 GIADRO CC[N@@H+]1CC[C@@H](CNC(=O)C2(c3cccc(C(F)(F)F)c3)CCCCC2)C1 ZINC000460979396 823554981 /nfs/dbraw/zinc/55/49/81/823554981.db2.gz QSTUVXKAFUFDMD-INIZCTEOSA-N 1 0 382.470 4.365 20 0 GIADRO Cc1csc2nc(C[N@H+]3CC[C@@H](Cc4ccc(C(C)C)cc4)C3)cc(=O)n12 ZINC000460978773 823555013 /nfs/dbraw/zinc/55/50/13/823555013.db2.gz KFIGBJFCMKNYGG-SFHVURJKSA-N 1 0 381.545 4.252 20 0 GIADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000060758729 823555798 /nfs/dbraw/zinc/55/57/98/823555798.db2.gz CMWPSADZAKRXFL-UHFFFAOYSA-N 1 0 397.500 4.056 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)C1(c2cccc(C(F)(F)F)c2)CCCCC1)C1CC1 ZINC000460991618 823556495 /nfs/dbraw/zinc/55/64/95/823556495.db2.gz TUWXPJOAHMIJFF-SFHVURJKSA-N 1 0 382.470 4.364 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)c2ccc(OCc3ccccn3)cc2)CC1 ZINC000460991635 823556498 /nfs/dbraw/zinc/55/64/98/823556498.db2.gz UCBIUQYKWBAUFK-UHFFFAOYSA-N 1 0 395.547 4.245 20 0 GIADRO Fc1ccc(C[NH2+]CCc2nc(-c3ccccn3)cs2)cc1Br ZINC000123975801 823557281 /nfs/dbraw/zinc/55/72/81/823557281.db2.gz KGVMNCJLQDXGSD-UHFFFAOYSA-N 1 0 392.297 4.439 20 0 GIADRO COCc1ccc(C[NH2+][C@H](C)c2ccc(I)cc2)cc1 ZINC000124446304 823597463 /nfs/dbraw/zinc/59/74/63/823597463.db2.gz MVJBHAHNVUTPOF-CYBMUJFWSA-N 1 0 381.257 4.288 20 0 GIADRO Cc1nc(CC2CC2)sc1C(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000190266766 823557989 /nfs/dbraw/zinc/55/79/89/823557989.db2.gz CSBJRWGHFFUCRY-UHFFFAOYSA-N 1 0 384.549 4.162 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)ccc1OC(F)F ZINC000123988458 823558083 /nfs/dbraw/zinc/55/80/83/823558083.db2.gz MDSQUROTRCXZBR-BBRMVZONSA-N 1 0 390.430 4.032 20 0 GIADRO CC(C)([NH2+]CCc1nc2ccccc2c(=O)[nH]1)c1cccc(C(F)(F)F)c1 ZINC000411223361 823558462 /nfs/dbraw/zinc/55/84/62/823558462.db2.gz CHNXBGIRZIBQTB-UHFFFAOYSA-N 1 0 375.394 4.422 20 0 GIADRO O[C@H](C[N@@H+](Cc1ccccc1)CC1CCC2(CC1)OCCO2)c1ccsc1 ZINC000190275187 823558503 /nfs/dbraw/zinc/55/85/03/823558503.db2.gz SBVDOJNWXGNUNN-OAQYLSRUSA-N 1 0 387.545 4.217 20 0 GIADRO 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 823558577 /nfs/dbraw/zinc/55/85/77/823558577.db2.gz ZZQAFTRZOPCTJD-CUBALJKWSA-N 1 0 390.396 4.106 20 0 GIADRO CCN(c1nnc(C)n1Cc1cccs1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000461013956 823559138 /nfs/dbraw/zinc/55/91/38/823559138.db2.gz ILYKVNZBWMJHTC-YLJYHZDGSA-N 1 0 395.576 4.358 20 0 GIADRO CCN(c1nnc(C)n1Cc1cccs1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000461013923 823559153 /nfs/dbraw/zinc/55/91/53/823559153.db2.gz ILYKVNZBWMJHTC-FXAWDEMLSA-N 1 0 395.576 4.358 20 0 GIADRO Fc1cc(Br)ccc1CNC1CC[NH+](Cc2ccccc2)CC1 ZINC000060815061 823559344 /nfs/dbraw/zinc/55/93/44/823559344.db2.gz SYGKUEUGINXYDR-UHFFFAOYSA-N 1 0 377.301 4.342 20 0 GIADRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)N1Cc2ccccc2OC(C)(C)C1)c1ccco1 ZINC000461017112 823559566 /nfs/dbraw/zinc/55/95/66/823559566.db2.gz RDANFHOCTPBXNL-AEFFLSMTSA-N 1 0 385.508 4.092 20 0 GIADRO COc1ccc(C(=O)C2CC[NH+](Cc3c[nH]nc3-c3ccccc3)CC2)cc1 ZINC000124012909 823560034 /nfs/dbraw/zinc/56/00/34/823560034.db2.gz AWNYHBVCCABWDL-UHFFFAOYSA-N 1 0 375.472 4.180 20 0 GIADRO Cc1ccc(C[NH2+]Cc2ccc(OC(F)F)cc2)c(-n2cc(Cl)cn2)n1 ZINC000190302757 823560726 /nfs/dbraw/zinc/56/07/26/823560726.db2.gz PMCHAAYPKICUOW-UHFFFAOYSA-N 1 0 378.810 4.120 20 0 GIADRO Cc1ccc(C(=O)N[C@H](C)C[N@H+](C)C(C)C)cc1NC(=O)Nc1ccccc1 ZINC000461023127 823560816 /nfs/dbraw/zinc/56/08/16/823560816.db2.gz CDXGCYHLHWWNLA-QGZVFWFLSA-N 1 0 382.508 4.098 20 0 GIADRO CC1CC[NH+](Cc2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2)CC1 ZINC000060833633 823560994 /nfs/dbraw/zinc/56/09/94/823560994.db2.gz LGEFSXNOHUWQTB-UHFFFAOYSA-N 1 0 376.456 4.277 20 0 GIADRO CC(C)c1ccc(CC[NH2+]Cc2ccccc2OCC(=O)N2CCCC2)cc1 ZINC000060832061 823561002 /nfs/dbraw/zinc/56/10/02/823561002.db2.gz GWCMZQAQBRZNBR-UHFFFAOYSA-N 1 0 380.532 4.144 20 0 GIADRO Cc1cn2c(n1)CC[C@@H]([NH2+][C@@H](C)c1nnc(-c3ccc(Cl)cc3Cl)o1)C2 ZINC000124033939 823561423 /nfs/dbraw/zinc/56/14/23/823561423.db2.gz YAKFSZRRIDUZOP-WCQYABFASA-N 1 0 392.290 4.214 20 0 GIADRO CC[C@@H]([NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(F)c1)c1ccc(OC)c(OC)c1 ZINC000124039265 823562105 /nfs/dbraw/zinc/56/21/05/823562105.db2.gz FCWWPZLDPXCGCS-CXAGYDPISA-N 1 0 395.496 4.048 20 0 GIADRO Cc1ccc([C@@H](CNc2ccc(S(=O)(=O)C(F)F)cc2)[NH+]2CCCC2)cc1 ZINC000060862646 823563290 /nfs/dbraw/zinc/56/32/90/823563290.db2.gz YCMMZVQAZFTRAE-LJQANCHMSA-N 1 0 394.487 4.240 20 0 GIADRO CC(=O)c1c(C)[nH]c(C(=O)CN(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1C ZINC000411304190 823563402 /nfs/dbraw/zinc/56/34/02/823563402.db2.gz BNXDRXYLRRUWAO-KKSFZXQISA-N 1 0 395.547 4.002 20 0 GIADRO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)C(=O)Nc1cccc2ccccc21 ZINC000190329764 823563475 /nfs/dbraw/zinc/56/34/75/823563475.db2.gz KIWAVCVANNXDIM-UHFFFAOYSA-N 1 0 387.483 4.055 20 0 GIADRO CC[C@@H](c1ccccc1)[NH+]1CCN(Cc2nc(-c3ccc(OC)cc3)no2)CC1 ZINC000060876406 823564066 /nfs/dbraw/zinc/56/40/66/823564066.db2.gz QSWXIPKCSRGAIV-NRFANRHFSA-N 1 0 392.503 4.014 20 0 GIADRO COc1ccc([C@@H]2CCCN2C(=O)C[N@@H+]2CCC[C@@H]2CC(C)(C)C)c(OC)c1 ZINC000060877027 823564183 /nfs/dbraw/zinc/56/41/83/823564183.db2.gz HCMJMDZTDIRBTH-XLIONFOSSA-N 1 0 388.552 4.268 20 0 GIADRO CO[C@H](C)c1nc(CN2CCC[N@@H+]([C@@H]3C[C@H]3c3cccc(F)c3)CC2)cs1 ZINC000411330242 823564871 /nfs/dbraw/zinc/56/48/71/823564871.db2.gz KSBLHLSNYGKRCZ-UIAACRFSSA-N 1 0 389.540 4.053 20 0 GIADRO COC[C@@](C)(CCO)[NH2+]Cc1sc(-c2ccc(C(F)(F)F)cc2)nc1C ZINC000411334013 823564962 /nfs/dbraw/zinc/56/49/62/823564962.db2.gz ONQDWRUGLYBBHI-QGZVFWFLSA-N 1 0 388.455 4.014 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)N(CCC(F)(F)F)Cc1ccccc1)c1ccccc1 ZINC000190356646 823565944 /nfs/dbraw/zinc/56/59/44/823565944.db2.gz MKHWICDDPYMVRL-LJQANCHMSA-N 1 0 393.453 4.454 20 0 GIADRO CCOC(=O)c1ccc(C[NH2+]C2(c3cccc(Br)c3)CCC2)nc1 ZINC000411360795 823566306 /nfs/dbraw/zinc/56/63/06/823566306.db2.gz XHILZIYAVPWEAP-UHFFFAOYSA-N 1 0 389.293 4.190 20 0 GIADRO O=C(CC[NH2+]C1(c2ccc(Cl)cc2)CCOCC1)Nc1cc(F)cc(F)c1 ZINC000411367107 823566676 /nfs/dbraw/zinc/56/66/76/823566676.db2.gz KUFFFDIROILZNG-UHFFFAOYSA-N 1 0 394.849 4.242 20 0 GIADRO O=C(CC[NH2+]C1(c2ccc(Cl)cc2)CCOCC1)Nc1ccccc1F ZINC000411371153 823567107 /nfs/dbraw/zinc/56/71/07/823567107.db2.gz WTWKATDOOYYVIN-UHFFFAOYSA-N 1 0 376.859 4.103 20 0 GIADRO C[N@H+](CCOc1ccc(C(F)(F)F)cc1)Cc1cc2ccccc2[nH]c1=O ZINC000190376552 823567494 /nfs/dbraw/zinc/56/74/94/823567494.db2.gz HRRRVLHLTFGQJC-UHFFFAOYSA-N 1 0 376.378 4.058 20 0 GIADRO CC[C@@](C)([NH2+]CCC(=O)Nc1ccc(Br)cc1)c1nccs1 ZINC000411384305 823568348 /nfs/dbraw/zinc/56/83/48/823568348.db2.gz HPIGCZBSQIPRSM-MRXNPFEDSA-N 1 0 382.327 4.149 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)N1CCc2c(F)cccc2C1 ZINC000124111861 823568619 /nfs/dbraw/zinc/56/86/19/823568619.db2.gz MPVLLQOAXSQEOP-UHFFFAOYSA-N 1 0 385.483 4.137 20 0 GIADRO Cc1ccc([C@@H](C[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)N2CCCC2)cc1 ZINC000060950375 823568804 /nfs/dbraw/zinc/56/88/04/823568804.db2.gz RNRFVPWAOQLKQY-JOCHJYFZSA-N 1 0 378.495 4.451 20 0 GIADRO C[C@@H](C(=O)NC1CC[NH+](C(C)(C)C)CC1)c1cccc(C(=O)c2ccccc2)c1 ZINC000124117438 823569111 /nfs/dbraw/zinc/56/91/11/823569111.db2.gz PLYFHLKORVGYRH-GOSISDBHSA-N 1 0 392.543 4.400 20 0 GIADRO CC(C)[N@H+](CCC(=O)Nc1ccccc1Br)Cc1cccnc1 ZINC000411408131 823570982 /nfs/dbraw/zinc/57/09/82/823570982.db2.gz LSJVVQRYNPANQA-UHFFFAOYSA-N 1 0 376.298 4.083 20 0 GIADRO Cc1cccc(C)c1NCC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000461076599 823571183 /nfs/dbraw/zinc/57/11/83/823571183.db2.gz PFZQIYIEQHACQB-IRLDBZIGSA-N 1 0 379.548 4.227 20 0 GIADRO COc1cccc(CC[NH2+]Cc2c(C)nn(Cc3ccc(F)cc3)c2Cl)c1 ZINC000060998695 823571908 /nfs/dbraw/zinc/57/19/08/823571908.db2.gz RFNXCJVWUBKNBG-UHFFFAOYSA-N 1 0 387.886 4.373 20 0 GIADRO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1OC ZINC000190426210 823572206 /nfs/dbraw/zinc/57/22/06/823572206.db2.gz PYYHIFSXYSVRPM-RDJZCZTQSA-N 1 0 384.307 4.228 20 0 GIADRO O=C(C[C@@H](Cc1ccccc1)c1ccccc1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000461080728 823572282 /nfs/dbraw/zinc/57/22/82/823572282.db2.gz DBHLJDRICRVEDW-DNQXCXABSA-N 1 0 376.544 4.490 20 0 GIADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(NC(=O)CC(C)(C)C)ccc1Cl ZINC000461081115 823572522 /nfs/dbraw/zinc/57/25/22/823572522.db2.gz FSAOCKMFHYUNDO-MRXNPFEDSA-N 1 0 393.959 4.319 20 0 GIADRO CC[N@@H+]1CCC[C@H]1CNCc1c(C)nn(Cc2ccc(Cl)cc2)c1Cl ZINC000061012602 823572701 /nfs/dbraw/zinc/57/27/01/823572701.db2.gz LXNNOWURXDCKRH-KRWDZBQOSA-N 1 0 381.351 4.121 20 0 GIADRO COc1ccc(CN(C)C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)cc1 ZINC000061011834 823572738 /nfs/dbraw/zinc/57/27/38/823572738.db2.gz VMXOOUPEQKKTID-UHFFFAOYSA-N 1 0 395.547 4.413 20 0 GIADRO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1cc(Br)ccc1Cl ZINC000190430199 823572702 /nfs/dbraw/zinc/57/27/02/823572702.db2.gz IDCNQIHHJLYYMQ-HOTGVXAUSA-N 1 0 398.732 4.329 20 0 GIADRO C[C@H]1CCc2c(sc3nc(CC[N@@H+]4CCC[C@@H]4c4cccnc4)nc(N)c23)C1 ZINC000411424191 823572788 /nfs/dbraw/zinc/57/27/88/823572788.db2.gz VZWFLDMTSNDKTI-WMLDXEAASA-N 1 0 393.560 4.173 20 0 GIADRO CCOc1ccc(C[NH2+]Cc2ccc(OCc3ccncc3)c(OC)c2)cc1 ZINC000061025054 823573902 /nfs/dbraw/zinc/57/39/02/823573902.db2.gz ZWAXDJZPOFTCNA-UHFFFAOYSA-N 1 0 378.472 4.358 20 0 GIADRO CCCOc1cc(C[NH2+]Cc2cc3c(cc2OCC)C[C@H](C)O3)ccc1OC ZINC000061028591 823574062 /nfs/dbraw/zinc/57/40/62/823574062.db2.gz DGNTYWAJQXJOMX-INIZCTEOSA-N 1 0 385.504 4.496 20 0 GIADRO Cc1nc(-c2ccccc2)sc1C(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000124169654 823574154 /nfs/dbraw/zinc/57/41/54/823574154.db2.gz MBPQOSUBLYZLEW-UHFFFAOYSA-N 1 0 395.528 4.448 20 0 GIADRO C[C@]1(CCCO)CCC[N@@H+]1CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000411441303 823574391 /nfs/dbraw/zinc/57/43/91/823574391.db2.gz PQNOJXFFUHQGAG-HSZRJFAPSA-N 1 0 382.504 4.435 20 0 GIADRO CSc1ccc(OC[C@H](O)C[NH2+][C@H](C)c2cccc(OC(F)F)c2)cc1 ZINC000411441145 823574401 /nfs/dbraw/zinc/57/44/01/823574401.db2.gz CWWNDPGXWWQFMB-UKRRQHHQSA-N 1 0 383.460 4.100 20 0 GIADRO CCC[NH+]1CCC(NC(=O)c2ccc(CSc3nc(C)cs3)cc2)CC1 ZINC000061031700 823574490 /nfs/dbraw/zinc/57/44/90/823574490.db2.gz NVXUVBVZBSEQRS-UHFFFAOYSA-N 1 0 389.590 4.348 20 0 GIADRO CC(C)Oc1cccc([C@H](C)NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000124174493 823574509 /nfs/dbraw/zinc/57/45/09/823574509.db2.gz ZNSAOBYLKRZEMG-LRXVAGHRSA-N 1 0 385.552 4.193 20 0 GIADRO COC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(Br)cc2OC)cc1F ZINC000190441199 823574505 /nfs/dbraw/zinc/57/45/05/823574505.db2.gz KTQCPYKGKOZUOK-NSHDSACASA-N 1 0 396.256 4.234 20 0 GIADRO COC(=O)c1cc(C[NH2+][C@@H](C)c2ccc(OCC(C)C)c(OC)c2)cs1 ZINC000411442692 823574670 /nfs/dbraw/zinc/57/46/70/823574670.db2.gz AJTMWXYIQXLHEW-AWEZNQCLSA-N 1 0 377.506 4.429 20 0 GIADRO COc1ccc(C[NH2+][C@@H](C)c2ccc(Br)cc2OC)cc1OC ZINC000190442413 823574721 /nfs/dbraw/zinc/57/47/21/823574721.db2.gz VUFZMXGSUINGMT-LBPRGKRZSA-N 1 0 380.282 4.326 20 0 GIADRO CCCOc1cc(C[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)ccc1OC ZINC000124178766 823574969 /nfs/dbraw/zinc/57/49/69/823574969.db2.gz GXDYMMHSQJIGHG-IBGZPJMESA-N 1 0 398.551 4.182 20 0 GIADRO COc1cc(NC(=O)CC[NH2+][C@@H](C)c2cc(C)sc2C)cc(OC)c1OC ZINC000411449273 823575597 /nfs/dbraw/zinc/57/55/97/823575597.db2.gz RTDWTYUIDKCNDB-ZDUSSCGKSA-N 1 0 392.521 4.070 20 0 GIADRO FC(F)(F)Oc1ccccc1C[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000124187786 823575834 /nfs/dbraw/zinc/57/58/34/823575834.db2.gz BHTOIHGJPDKLEZ-MRXNPFEDSA-N 1 0 394.441 4.283 20 0 GIADRO COc1ccc2c(c1)CCC[C@H]2C[NH2+][C@@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000124188562 823575962 /nfs/dbraw/zinc/57/59/62/823575962.db2.gz DRNZWMDDOMXHJY-KXBFYZLASA-N 1 0 382.504 4.433 20 0 GIADRO COc1cc(F)c([C@@H](C)[NH2+]CCC(=O)Nc2ccc(Cl)cc2F)cc1OC ZINC000411452734 823576296 /nfs/dbraw/zinc/57/62/96/823576296.db2.gz BNODOENTXXRSPW-LLVKDONJSA-N 1 0 398.837 4.315 20 0 GIADRO O=C([C@@H]1Cc2ccccc21)N(CCCn1ccnc1)Cc1c(F)cccc1Cl ZINC000461097860 823576467 /nfs/dbraw/zinc/57/64/67/823576467.db2.gz HABLVJYMFKUSQO-GOSISDBHSA-N 1 0 397.881 4.434 20 0 GIADRO CSc1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccccc2OC(F)F)cc1 ZINC000411455295 823576617 /nfs/dbraw/zinc/57/66/17/823576617.db2.gz ZWCWMXUTWRSVJH-KGLIPLIRSA-N 1 0 383.460 4.100 20 0 GIADRO CC(C)Oc1ccc(CCNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000061070461 823576747 /nfs/dbraw/zinc/57/67/47/823576747.db2.gz DMWOHWYWOFJXGX-NRFANRHFSA-N 1 0 399.535 4.136 20 0 GIADRO Clc1ccc(-c2noc(CC[NH2+][C@@H](c3ccccc3)[C@H]3CCOC3)n2)cc1 ZINC000411458548 823576979 /nfs/dbraw/zinc/57/69/79/823576979.db2.gz JKNOZUNAIRCPMG-PXNSSMCTSA-N 1 0 383.879 4.300 20 0 GIADRO CC[C@@H]([NH2+]Cc1cnc2ccc(C)cc2c1)c1ccccc1OCC(=O)N(C)C ZINC000411458301 823577055 /nfs/dbraw/zinc/57/70/55/823577055.db2.gz XRYWGJGTBIUOIP-OAQYLSRUSA-N 1 0 391.515 4.251 20 0 GIADRO COCCOc1ccc([C@@H](C)[NH2+]Cc2cnc3ccc(C)cc3c2)cc1OC ZINC000411459266 823577138 /nfs/dbraw/zinc/57/71/38/823577138.db2.gz YSFZXLLELROCHS-QGZVFWFLSA-N 1 0 380.488 4.428 20 0 GIADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)[C@@H](C)c1cccc(Cl)c1 ZINC000461100983 823577293 /nfs/dbraw/zinc/57/72/93/823577293.db2.gz CEPQLFUXXSASQO-LAUBAEHRSA-N 1 0 385.939 4.352 20 0 GIADRO CO[C@]1(C[NH2+][C@@H]2CC[C@@H]3[C@H]4CCc5cc(O)ccc5[C@H]4CC[C@]23C)CCOC1 ZINC000461101237 823577549 /nfs/dbraw/zinc/57/75/49/823577549.db2.gz SEIHBTHALYEADM-ISGSKPSGSA-N 1 0 385.548 4.012 20 0 GIADRO O=C(CC[NH2+][C@@H](CC(F)(F)F)c1ccccc1)Nc1ccc2c(c1)OCO2 ZINC000411463333 823577593 /nfs/dbraw/zinc/57/75/93/823577593.db2.gz WAIDQXZBWBMGNL-HNNXBMFYSA-N 1 0 380.366 4.027 20 0 GIADRO COc1cc(NC(=O)CC[NH2+][C@H](C)c2cc(C)cc(C)c2)cc(OC)c1OC ZINC000411463954 823577805 /nfs/dbraw/zinc/57/78/05/823577805.db2.gz LXWZKTZRZPICOT-MRXNPFEDSA-N 1 0 386.492 4.009 20 0 GIADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc(Oc3ccc(F)cc3)ccn2)C[C@H]1C ZINC000461103922 823578070 /nfs/dbraw/zinc/57/80/70/823578070.db2.gz QIADHAILCBNIIS-LDBYXDLTSA-N 1 0 386.467 4.471 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@@H]2CCc3ccccc3NC2=O)cc1Br ZINC000411466085 823578165 /nfs/dbraw/zinc/57/81/65/823578165.db2.gz YHSCGZCPPFSXAM-SJKOYZFVSA-N 1 0 389.293 4.062 20 0 GIADRO CC[N@H+](Cc1c[nH]c2ccccc12)[C@@H](C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000190470551 823578741 /nfs/dbraw/zinc/57/87/41/823578741.db2.gz BALUDEGLALPMSE-HRAATJIYSA-N 1 0 377.488 4.018 20 0 GIADRO CCOc1ccc([C@H](NC(=O)NCC2([NH+](C)C)CCCC2)c2ccccc2)cc1 ZINC000061116241 823579073 /nfs/dbraw/zinc/57/90/73/823579073.db2.gz FEKUCMMSIODDAP-JOCHJYFZSA-N 1 0 395.547 4.348 20 0 GIADRO COC[C@@H]([NH2+]CCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(F)cc1 ZINC000411478272 823579394 /nfs/dbraw/zinc/57/93/94/823579394.db2.gz UGWLJYOWGYIVQQ-QGZVFWFLSA-N 1 0 375.831 4.049 20 0 GIADRO O=C(Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1)Nc1ccc(Cl)cc1Cl ZINC000461111883 823579710 /nfs/dbraw/zinc/57/97/10/823579710.db2.gz LHVHIQNVMYVJQU-OAHLLOKOSA-N 1 0 380.275 4.204 20 0 GIADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2[nH]c3ccccc3c2Br)C1 ZINC000124245190 823580563 /nfs/dbraw/zinc/58/05/63/823580563.db2.gz QXWFWFWAEZXPIG-AWEZNQCLSA-N 1 0 392.341 4.028 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)c2ccccc2OCc2ccccc2Cl)CC[N@@H+]1C ZINC000124243583 823580645 /nfs/dbraw/zinc/58/06/45/823580645.db2.gz YTUDZVLXLMSXJN-FUHWJXTLSA-N 1 0 386.923 4.474 20 0 GIADRO CC[C@@H](CO)[N@H+](CCC(=O)Nc1ccccc1C(F)(F)F)Cc1ccccc1 ZINC000411501600 823581894 /nfs/dbraw/zinc/58/18/94/823581894.db2.gz HQZBHJBPKAPALY-KRWDZBQOSA-N 1 0 394.437 4.307 20 0 GIADRO O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N1CCC[C@H]1c1cccc(Cl)c1 ZINC000411501943 823581912 /nfs/dbraw/zinc/58/19/12/823581912.db2.gz VPQPSOMORDLLDS-OALUTQOASA-N 1 0 378.969 4.221 20 0 GIADRO CCOc1cc(C)ccc1NC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000061166760 823581971 /nfs/dbraw/zinc/58/19/71/823581971.db2.gz FTJMCYOZMBUCIM-UHFFFAOYSA-N 1 0 381.520 4.176 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1cccc(OC(F)F)c1 ZINC000061165898 823581978 /nfs/dbraw/zinc/58/19/78/823581978.db2.gz KUWNRLLQLSEBLZ-UHFFFAOYSA-N 1 0 377.435 4.452 20 0 GIADRO CC(C)OC(=O)C[C@@H]([NH2+]CCC(=O)Nc1ccccc1Cl)c1ccccc1 ZINC000411506514 823582237 /nfs/dbraw/zinc/58/22/37/823582237.db2.gz QBMLQVQOVZYNPH-LJQANCHMSA-N 1 0 388.895 4.341 20 0 GIADRO CCCOc1ccc([C@@H](C)NC(=O)NCC(C)(C)[NH+]2CCCCC2)cc1OC ZINC000061185525 823582629 /nfs/dbraw/zinc/58/26/29/823582629.db2.gz ZFCKTVSKWQILEX-QGZVFWFLSA-N 1 0 391.556 4.109 20 0 GIADRO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](CCC(=O)Nc2ccccc2Br)C1 ZINC000411521715 823584229 /nfs/dbraw/zinc/58/42/29/823584229.db2.gz BZNUVZNCHBUARQ-KDOFPFPSSA-N 1 0 388.309 4.256 20 0 GIADRO CCN(Cc1nc2ccc(Cl)cc2c(=O)[nH]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000411523820 823584520 /nfs/dbraw/zinc/58/45/20/823584520.db2.gz GUCHZXYUNRRXKF-SFHVURJKSA-N 1 0 396.922 4.085 20 0 GIADRO CCCCNC(=O)CC[NH2+][C@@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000411527782 823584950 /nfs/dbraw/zinc/58/49/50/823584950.db2.gz RHHWABPQIXXBTO-AWEZNQCLSA-N 1 0 395.263 4.339 20 0 GIADRO CCCCNC(=O)CC[NH2+][C@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000411527783 823584990 /nfs/dbraw/zinc/58/49/90/823584990.db2.gz RHHWABPQIXXBTO-CQSZACIVSA-N 1 0 395.263 4.339 20 0 GIADRO Cc1ccc(C(C)(C)[NH2+]CC(=O)N(Cc2ccco2)Cc2ccccc2)cn1 ZINC000411532582 823585287 /nfs/dbraw/zinc/58/52/87/823585287.db2.gz YNYGQOFLMMLPIL-UHFFFAOYSA-N 1 0 377.488 4.037 20 0 GIADRO C[C@H](NCc1cccc(C[NH+]2CCCCC2)c1)c1nc(Cc2ccccc2)no1 ZINC000411534184 823585761 /nfs/dbraw/zinc/58/57/61/823585761.db2.gz NQNCREZNBKGQEU-IBGZPJMESA-N 1 0 390.531 4.497 20 0 GIADRO Cc1c(F)cccc1NC(=O)CC[NH2+][C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000411536694 823585953 /nfs/dbraw/zinc/58/59/53/823585953.db2.gz HOIAPTFDVPJGSS-KRWDZBQOSA-N 1 0 380.467 4.058 20 0 GIADRO Cc1cnc([C@@H](C)[NH2+]CCc2nc3sc4c(c3c(N)n2)CC[C@@H](C)C4)s1 ZINC000411539843 823586401 /nfs/dbraw/zinc/58/64/01/823586401.db2.gz MIYMPTJZEPEWHJ-ZYHUDNBSSA-N 1 0 387.578 4.057 20 0 GIADRO Cc1cnc([C@H](C)[NH2+]CCc2nc3sc4c(c3c(N)n2)CC[C@H](C)C4)s1 ZINC000411539841 823586535 /nfs/dbraw/zinc/58/65/35/823586535.db2.gz MIYMPTJZEPEWHJ-JQWIXIFHSA-N 1 0 387.578 4.057 20 0 GIADRO CC(C)[NH+]1CCC(N[C@H](c2nc(-c3ccccc3)no2)c2ccccc2)CC1 ZINC000124316265 823586552 /nfs/dbraw/zinc/58/65/52/823586552.db2.gz VPPQOHQYOFEXCO-NRFANRHFSA-N 1 0 376.504 4.288 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)CSCC(=O)Nc2cccc(C)c2)cc1 ZINC000190565370 823586953 /nfs/dbraw/zinc/58/69/53/823586953.db2.gz ODQGONGKJARZPH-UHFFFAOYSA-N 1 0 399.560 4.147 20 0 GIADRO CSc1ccccc1NC(=O)CC[NH2+]C(C)(C)c1nc2ccccc2n1C ZINC000411545740 823587033 /nfs/dbraw/zinc/58/70/33/823587033.db2.gz RFXDHJRNRXVCHJ-UHFFFAOYSA-N 1 0 382.533 4.149 20 0 GIADRO C[C@@H](N[C@@H](C)c1noc(-c2ccccc2)n1)c1cccc(OCC[NH+](C)C)c1 ZINC000124328374 823587567 /nfs/dbraw/zinc/58/75/67/823587567.db2.gz QTTHRDVQIPGQQF-SJORKVTESA-N 1 0 380.492 4.089 20 0 GIADRO Cc1ccc([C@@H](C)[N@H+](C)CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000061255822 823587688 /nfs/dbraw/zinc/58/76/88/823587688.db2.gz XUQGGFMVMLYCAE-WIYYLYMNSA-N 1 0 394.515 4.123 20 0 GIADRO COc1ccc([C@H](O)C[NH2+][C@H](c2ccc(Br)s2)C2CC2)cc1 ZINC000190578166 823587914 /nfs/dbraw/zinc/58/79/14/823587914.db2.gz LVHFWSYMXPUCRF-PBHICJAKSA-N 1 0 382.323 4.294 20 0 GIADRO NC(=O)Nc1ccc(C[NH2+][C@H](c2ccc(Br)s2)C2CC2)cc1 ZINC000190579673 823588040 /nfs/dbraw/zinc/58/80/40/823588040.db2.gz FQQRZAPLNZUPIQ-HNNXBMFYSA-N 1 0 380.311 4.242 20 0 GIADRO CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@H](C)[C@H](O)c2ccc(F)cc2)cc1 ZINC000124346676 823588963 /nfs/dbraw/zinc/58/89/63/823588963.db2.gz AGHHBXDHDICCEQ-MRUHUIDDSA-N 1 0 387.499 4.472 20 0 GIADRO C[C@@H]([NH2+]C1CCN(c2ccccn2)CC1)c1ccc(F)c(Br)c1 ZINC000124347625 823589129 /nfs/dbraw/zinc/58/91/29/823589129.db2.gz XEAOVEKPWYTNFV-CYBMUJFWSA-N 1 0 378.289 4.303 20 0 GIADRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)NCCc2cccs2)C1 ZINC000061285211 823589307 /nfs/dbraw/zinc/58/93/07/823589307.db2.gz ZCFVAGJIGBBNAR-ROUUACIJSA-N 1 0 385.577 4.268 20 0 GIADRO COC(=O)c1ccc(NC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000061286116 823589550 /nfs/dbraw/zinc/58/95/50/823589550.db2.gz QZULPJHLBHRSAW-QGZVFWFLSA-N 1 0 395.503 4.169 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(NC(=O)NC(C)C)cc2)cc1 ZINC000190594984 823589672 /nfs/dbraw/zinc/58/96/72/823589672.db2.gz MIYMLPVJPFFFCZ-UHFFFAOYSA-N 1 0 382.508 4.311 20 0 GIADRO O=C(/C=C/c1ccc2ccccc2n1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000061286582 823589752 /nfs/dbraw/zinc/58/97/52/823589752.db2.gz XQZWSYRPYKUINC-ZHACJKMWSA-N 1 0 389.524 4.436 20 0 GIADRO Cc1cc(C)cc(OCCC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)c1 ZINC000061288102 823589944 /nfs/dbraw/zinc/58/99/44/823589944.db2.gz ZGNXWYJIAGNBGW-UHFFFAOYSA-N 1 0 398.572 4.302 20 0 GIADRO CCOc1ccccc1CCC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000061288801 823590001 /nfs/dbraw/zinc/59/00/01/823590001.db2.gz UKKPRVMKYJCCRK-UHFFFAOYSA-N 1 0 398.572 4.248 20 0 GIADRO Cc1cc(C[N@@H+]2CCCN(C(=O)Oc3ccccc3)CC2)c2ccccc2n1 ZINC000124365806 823590640 /nfs/dbraw/zinc/59/06/40/823590640.db2.gz GBAFFRCSHNVGJD-UHFFFAOYSA-N 1 0 375.472 4.250 20 0 GIADRO COc1ccccc1CCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1C ZINC000061308536 823590964 /nfs/dbraw/zinc/59/09/64/823590964.db2.gz SVTQCXPTAWUXKG-UHFFFAOYSA-N 1 0 384.545 4.124 20 0 GIADRO O=C(C[C@H](c1ccc(O)cc1)C1CC1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000411616539 823591069 /nfs/dbraw/zinc/59/10/69/823591069.db2.gz JPNRPNXURYEDDE-DEOSSOPVSA-N 1 0 392.543 4.304 20 0 GIADRO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H](C)[C@H](O)c1ccc(F)cc1 ZINC000124382211 823592021 /nfs/dbraw/zinc/59/20/21/823592021.db2.gz JVRQUDVTZOBWID-NQCMUKECSA-N 1 0 398.400 4.273 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)c2cnc3c(C)cc(F)cc3c2O)cc1 ZINC000190617730 823592059 /nfs/dbraw/zinc/59/20/59/823592059.db2.gz FCDKTNFBWBGCFQ-UHFFFAOYSA-N 1 0 381.451 4.070 20 0 GIADRO CCCN(CC[NH+](CC)CC)C(=O)c1ccc(C(=O)N(C)c2ccccc2)cc1 ZINC000461169009 823592079 /nfs/dbraw/zinc/59/20/79/823592079.db2.gz PQTGAZHCPJHVDX-UHFFFAOYSA-N 1 0 395.547 4.157 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCC1)N(Cc1c(F)cccc1F)C1CC1 ZINC000190616398 823592140 /nfs/dbraw/zinc/59/21/40/823592140.db2.gz HBFAOFLIYCHUCQ-UHFFFAOYSA-N 1 0 399.485 4.435 20 0 GIADRO O=C(C[NH2+][C@H]1CCCc2c(O)cccc21)N(Cc1ccco1)Cc1ccccc1 ZINC000411625522 823592111 /nfs/dbraw/zinc/59/21/11/823592111.db2.gz WVJZMECBKBFIRG-QFIPXVFZSA-N 1 0 390.483 4.181 20 0 GIADRO CCCn1ccnc1CCC[N@H+](C)CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000411629564 823592319 /nfs/dbraw/zinc/59/23/19/823592319.db2.gz DCPBXUIKEDVMQT-UHFFFAOYSA-N 1 0 387.915 4.104 20 0 GIADRO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]CCCc1nc2ccccc2n1C ZINC000124384892 823592316 /nfs/dbraw/zinc/59/23/16/823592316.db2.gz JJLIPNXJRRNFKB-UHFFFAOYSA-N 1 0 387.531 4.157 20 0 GIADRO COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)[NH2+][C@H](C)c2cc3ccccc3o2)c1 ZINC000190620493 823592348 /nfs/dbraw/zinc/59/23/48/823592348.db2.gz YAOUTJMEMIQAQK-ARFHVFGLSA-N 1 0 396.487 4.367 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1cnc2c(cnn2C(C)C)c1)c1ccccc1 ZINC000061353154 823593262 /nfs/dbraw/zinc/59/32/62/823593262.db2.gz PLXAQOAOGYZFJN-FQEVSTJZSA-N 1 0 394.523 4.217 20 0 GIADRO CCCCn1ncc(C(=O)Nc2cc(C[NH+]3CCSCC3)ccc2C)c1C ZINC000124399141 823593320 /nfs/dbraw/zinc/59/33/20/823593320.db2.gz PIZLRNAEIWAWRR-UHFFFAOYSA-N 1 0 386.565 4.101 20 0 GIADRO CCOc1ccc([C@@H](C)NC(=O)NCC2([NH+](C)C)CCCCCC2)cc1OC ZINC000061379126 823594202 /nfs/dbraw/zinc/59/42/02/823594202.db2.gz AEVUKTRASKFIDU-QGZVFWFLSA-N 1 0 391.556 4.109 20 0 GIADRO C[C@@H](NC(=O)[C@@H](C)[NH2+][C@H](C)c1cc2ccccc2o1)c1ccc2c(c1)OCCO2 ZINC000190645023 823594774 /nfs/dbraw/zinc/59/47/74/823594774.db2.gz VONZYKALJOZLRR-BZUAXINKSA-N 1 0 394.471 4.121 20 0 GIADRO O=C(CC[NH2+][C@@H](CO)c1ccc(Cl)cc1C(F)(F)F)Nc1ccccc1 ZINC000411669653 823595898 /nfs/dbraw/zinc/59/58/98/823595898.db2.gz ZSSAGGWTUNGBBN-INIZCTEOSA-N 1 0 386.801 4.011 20 0 GIADRO COc1cc(C[NH2+][C@H](CCO)c2ccccc2)ccc1OCc1ccccc1 ZINC000124438066 823596820 /nfs/dbraw/zinc/59/68/20/823596820.db2.gz HRYTYKKNPBRLAH-JOCHJYFZSA-N 1 0 377.484 4.488 20 0 GIADRO Cc1nc(CC(C)C)oc1C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000190673704 823597361 /nfs/dbraw/zinc/59/73/61/823597361.db2.gz UPIDAWWPRDCZCT-QGZVFWFLSA-N 1 0 375.557 4.298 20 0 GIADRO CCCCNC(=O)CC[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000411696173 823597694 /nfs/dbraw/zinc/59/76/94/823597694.db2.gz JJAOOILVOUZOGT-IBGZPJMESA-N 1 0 386.458 4.069 20 0 GIADRO C[C@@H]([NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1)[C@@H](O)c1ccc(F)cc1 ZINC000124456400 823598270 /nfs/dbraw/zinc/59/82/70/823598270.db2.gz WXORYQBTIBCPTJ-QVKFZJNVSA-N 1 0 376.903 4.155 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccn(C2CCCC2)n1 ZINC000124468736 823599241 /nfs/dbraw/zinc/59/92/41/823599241.db2.gz XISSBEVFLYOPEF-UHFFFAOYSA-N 1 0 386.927 4.046 20 0 GIADRO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH2+][C@@H]2CCC[C@@H]2OCc2ccccc2)c1C ZINC000411716018 823599236 /nfs/dbraw/zinc/59/92/36/823599236.db2.gz DCAPHWVYOLFTBM-DBVUQKKJSA-N 1 0 382.504 4.133 20 0 GIADRO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH2+][C@H]2CCC[C@H]2OCc2ccccc2)c1C ZINC000411716019 823599260 /nfs/dbraw/zinc/59/92/60/823599260.db2.gz DCAPHWVYOLFTBM-FFZOFVMBSA-N 1 0 382.504 4.133 20 0 GIADRO CCO[C@H]1C[C@H]([NH2+]CCC(=O)Nc2ccccc2C(F)(F)F)C12CCCC2 ZINC000411716973 823599434 /nfs/dbraw/zinc/59/94/34/823599434.db2.gz GPTPGDWVXVANNM-IRXDYDNUSA-N 1 0 384.442 4.361 20 0 GIADRO CS(=O)(=O)c1ccc(C[NH2+][C@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)o1 ZINC000411717684 823599499 /nfs/dbraw/zinc/59/94/99/823599499.db2.gz JHNZMXPIHCMRNH-HOTGVXAUSA-N 1 0 387.423 4.128 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCCc2c1cnn2Cc1ccccc1)c1ccc2c(c1)OCO2 ZINC000124476264 823599904 /nfs/dbraw/zinc/59/99/04/823599904.db2.gz OOGNAQDNDCGQHB-OXQOHEQNSA-N 1 0 375.472 4.388 20 0 GIADRO CCc1c(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)[nH]c(C)c1C(C)=O ZINC000061503515 823600184 /nfs/dbraw/zinc/60/01/84/823600184.db2.gz VUGYRFTUNJGYTF-UHFFFAOYSA-N 1 0 395.547 4.394 20 0 GIADRO O=C(CSCc1ccccn1)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000061503512 823600208 /nfs/dbraw/zinc/60/02/08/823600208.db2.gz YDPZTSXZSALQJK-UHFFFAOYSA-N 1 0 383.561 4.007 20 0 GIADRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1C(F)(F)F)c1ccc2n[nH]cc2c1 ZINC000411728585 823600606 /nfs/dbraw/zinc/60/06/06/823600606.db2.gz UUHJEAGJXIQXAL-LBPRGKRZSA-N 1 0 376.382 4.261 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)C2(c3cccc(C(F)(F)F)c3)CCC2)CC1 ZINC000461220090 823600738 /nfs/dbraw/zinc/60/07/38/823600738.db2.gz RVDNCPWSCAXVPQ-UHFFFAOYSA-N 1 0 382.470 4.365 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2ccc(Cl)cc2F)c(C)c1OC ZINC000411739495 823601143 /nfs/dbraw/zinc/60/11/43/823601143.db2.gz NOFPAPVSAQZIME-CYBMUJFWSA-N 1 0 394.874 4.484 20 0 GIADRO CCOc1ccc(NC(=O)CC[NH2+][C@H]2c3ccccc3CC23CCOCC3)cc1 ZINC000411740495 823601194 /nfs/dbraw/zinc/60/11/94/823601194.db2.gz BAJUVYWEFYDBEA-QHCPKHFHSA-N 1 0 394.515 4.098 20 0 GIADRO CCOc1ccc(NC(=O)CC[NH2+][C@@H](C)c2ccc(OC)c(OC)c2C)cc1 ZINC000411739278 823601199 /nfs/dbraw/zinc/60/11/99/823601199.db2.gz NDYFANDGMUHTIP-INIZCTEOSA-N 1 0 386.492 4.090 20 0 GIADRO CC[C@@H](NC(=O)C(=O)Nc1cccc2c1C[N@@H+]([C@H](C)C(C)C)C2)c1ccccc1 ZINC000411742922 823601595 /nfs/dbraw/zinc/60/15/95/823601595.db2.gz FXQJNPFTHHNNGN-DYESRHJHSA-N 1 0 393.531 4.253 20 0 GIADRO COc1ccc(NC(=O)CC[NH2+][C@H](C)[C@@H]2OCCc3sccc32)cc1Cl ZINC000411761244 823603253 /nfs/dbraw/zinc/60/32/53/823603253.db2.gz USVUVDGVCUPCOE-BLVKFPJESA-N 1 0 394.924 4.031 20 0 GIADRO O=C(NCc1ccc(Cl)s1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000061553541 823603288 /nfs/dbraw/zinc/60/32/88/823603288.db2.gz IWVDRMOMAWGYPD-UHFFFAOYSA-N 1 0 377.941 4.387 20 0 GIADRO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+]C[C@H]1COc2ccccc2C1 ZINC000061556019 823603630 /nfs/dbraw/zinc/60/36/30/823603630.db2.gz JOQJPGPDFXYDKY-KRWDZBQOSA-N 1 0 399.897 4.373 20 0 GIADRO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]CCC(=O)Nc1c(Cl)cccc1Cl ZINC000411769663 823603769 /nfs/dbraw/zinc/60/37/69/823603769.db2.gz AXVHJYBMQXWFTH-DOMZBBRYSA-N 1 0 387.307 4.034 20 0 GIADRO O=c1[nH]c(CC[NH2+]C2(c3ccc(OC(F)(F)F)cc3)CC2)nc2ccccc21 ZINC000411774967 823604099 /nfs/dbraw/zinc/60/40/99/823604099.db2.gz WILBMWLKFJAKIP-UHFFFAOYSA-N 1 0 389.377 4.055 20 0 GIADRO O=C(CCOc1ccccc1Cl)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000061567979 823604319 /nfs/dbraw/zinc/60/43/19/823604319.db2.gz OCIUFUROZKMTEK-UHFFFAOYSA-N 1 0 392.952 4.199 20 0 GIADRO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000411785067 823604532 /nfs/dbraw/zinc/60/45/32/823604532.db2.gz IHXKRPMMIFCMGF-UXHICEINSA-N 1 0 380.488 4.004 20 0 GIADRO C[C@@H]1CCC[C@](CNC(=O)CCc2ncc(-c3ccccc3F)o2)([NH+](C)C)C1 ZINC000124538265 823604555 /nfs/dbraw/zinc/60/45/55/823604555.db2.gz RLWIFDQGNPEGFF-ZHRRBRCNSA-N 1 0 387.499 4.040 20 0 GIADRO Cc1ccccc1NCCC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000061572225 823604638 /nfs/dbraw/zinc/60/46/38/823604638.db2.gz NVAFOCVDBGZLIM-UHFFFAOYSA-N 1 0 383.561 4.027 20 0 GIADRO Cc1cnc([C@@H](NC(=O)[C@H](C)[NH+]2CCC(Cc3ccccc3)CC2)C2CC2)s1 ZINC000461254136 823605387 /nfs/dbraw/zinc/60/53/87/823605387.db2.gz ZGRCXLQXZDUSKO-UWJYYQICSA-N 1 0 397.588 4.362 20 0 GIADRO O=C(CC[NH2+][C@@H]([C@H](CO)C1CC1)C1CC1)Nc1ccccc1-c1ccccc1 ZINC000411795166 823605513 /nfs/dbraw/zinc/60/55/13/823605513.db2.gz URDDVQGUNOBIEQ-ZJSXRUAMSA-N 1 0 378.516 4.069 20 0 GIADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1csc(-c2ccc(Cl)s2)n1 ZINC000461255404 823605727 /nfs/dbraw/zinc/60/57/27/823605727.db2.gz CQEZVBQWPCQCMW-LBPRGKRZSA-N 1 0 383.970 4.471 20 0 GIADRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)CCOc1ccccc1F ZINC000061596763 823605849 /nfs/dbraw/zinc/60/58/49/823605849.db2.gz MIWJDYRZJSYGBR-UHFFFAOYSA-N 1 0 388.508 4.091 20 0 GIADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cc(-c2ccco2)nn1-c1ccccc1 ZINC000461255931 823605811 /nfs/dbraw/zinc/60/58/11/823605811.db2.gz FRUCVSNRIQSRSL-GOSISDBHSA-N 1 0 392.503 4.079 20 0 GIADRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1ccccc1SCC#N ZINC000061596726 823605873 /nfs/dbraw/zinc/60/58/73/823605873.db2.gz MQAZXBYUAFRIGS-UHFFFAOYSA-N 1 0 397.569 4.412 20 0 GIADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1ccc(-c2noc(CC(C)(C)C)n2)cc1 ZINC000461256119 823605951 /nfs/dbraw/zinc/60/59/51/823605951.db2.gz GWWCFTAQSYRVBZ-IBGZPJMESA-N 1 0 398.551 4.272 20 0 GIADRO OCC[C@H]([NH2+]CCc1nc(-c2ccccc2)no1)c1cccc(C(F)(F)F)c1 ZINC000411802031 823606053 /nfs/dbraw/zinc/60/60/53/823606053.db2.gz UYUPQSQLKYYAIP-KRWDZBQOSA-N 1 0 391.393 4.011 20 0 GIADRO CC[NH+](CC)CCNC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1 ZINC000061620344 823606477 /nfs/dbraw/zinc/60/64/77/823606477.db2.gz GHNYFLJVGUXVPA-UHFFFAOYSA-N 1 0 386.348 4.117 20 0 GIADRO CCOc1c(C[NH+]2CCC([C@@H](O)c3ccccc3)CC2)c(C)nn1CC(C)C ZINC000124559117 823606484 /nfs/dbraw/zinc/60/64/84/823606484.db2.gz NVYYQKNUFWETPM-QFIPXVFZSA-N 1 0 385.552 4.192 20 0 GIADRO CC(C)(C)C(=O)N1CCC([NH2+][C@H](c2cccc(Cl)c2)c2ccccn2)CC1 ZINC000124561241 823606639 /nfs/dbraw/zinc/60/66/39/823606639.db2.gz AWSLUTSDRKFQIK-HXUWFJFHSA-N 1 0 385.939 4.451 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)c(CC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)s1 ZINC000461260031 823606900 /nfs/dbraw/zinc/60/69/00/823606900.db2.gz GGXJMORVWFZGBI-LJQANCHMSA-N 1 0 385.577 4.302 20 0 GIADRO COc1ccc([C@@H]2CCN(C(=O)c3cccc(C[NH+]4CCCCC4)c3)C2)cc1 ZINC000411824532 823608935 /nfs/dbraw/zinc/60/89/35/823608935.db2.gz QQJPWULCWGOABY-JOCHJYFZSA-N 1 0 378.516 4.311 20 0 GIADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(C)(C)c1ccc(Br)cc1 ZINC000461266834 823609021 /nfs/dbraw/zinc/60/90/21/823609021.db2.gz XOTYSURGDWZAQQ-QGZVFWFLSA-N 1 0 381.358 4.060 20 0 GIADRO COc1ccc(Oc2cc(CNCc3nccn3-c3ccccc3)ccn2)cc1 ZINC000190788924 823609178 /nfs/dbraw/zinc/60/91/78/823609178.db2.gz FESBLGMKWIAEIX-UHFFFAOYSA-N 1 0 386.455 4.358 20 0 GIADRO CC(C)[C@H]([NH2+]CCC(=O)Nc1ccccc1C(F)(F)F)C1(CO)CCCC1 ZINC000411827152 823609282 /nfs/dbraw/zinc/60/92/82/823609282.db2.gz ZUHDHLVXVPDONU-SFHVURJKSA-N 1 0 386.458 4.201 20 0 GIADRO Brc1ccccc1-c1noc([C@@H]2CCC[N@@H+]2CCc2cccnc2)n1 ZINC000190790681 823609357 /nfs/dbraw/zinc/60/93/57/823609357.db2.gz IALXTQSMWLMYMT-KRWDZBQOSA-N 1 0 399.292 4.274 20 0 GIADRO Cc1cc(-n2cccn2)ccc1NC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000190793844 823609785 /nfs/dbraw/zinc/60/97/85/823609785.db2.gz RYMFVUQYZYSTTH-HXUWFJFHSA-N 1 0 393.491 4.122 20 0 GIADRO Cc1c(C(=O)Nc2cc(C)cc(N3CC[NH+](C(C)C)CC3)c2)cnn1C(C)(C)C ZINC000190800137 823610537 /nfs/dbraw/zinc/61/05/37/823610537.db2.gz GRNGFSNEFPJBTD-UHFFFAOYSA-N 1 0 397.567 4.038 20 0 GIADRO Cc1noc(C)c1[C@@H](C)CC(=O)Nc1cc(C)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000190803214 823610843 /nfs/dbraw/zinc/61/08/43/823610843.db2.gz VDNFVULRMANUIQ-KRWDZBQOSA-N 1 0 398.551 4.263 20 0 GIADRO COc1ccc(NC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)c(OC)c1 ZINC000061746125 823611244 /nfs/dbraw/zinc/61/12/44/823611244.db2.gz TZONVXYSRJFSMI-UHFFFAOYSA-N 1 0 397.519 4.402 20 0 GIADRO CCOc1c(OC)cc(C[NH+]2CCC([C@H](O)c3ccccc3)CC2)cc1OC ZINC000124623060 823611979 /nfs/dbraw/zinc/61/19/79/823611979.db2.gz OSOHFLOSMASJEU-JOCHJYFZSA-N 1 0 385.504 4.048 20 0 GIADRO CCOc1c(OC)cc(C[NH+]2CCC([C@@H](O)c3ccccc3)CC2)cc1OC ZINC000124623256 823611985 /nfs/dbraw/zinc/61/19/85/823611985.db2.gz OSOHFLOSMASJEU-QFIPXVFZSA-N 1 0 385.504 4.048 20 0 GIADRO Cc1ccccc1-c1nnc(N(C)[C@@H]2CC[N@@H+](C3CC3)C2)n1Cc1cccs1 ZINC000461293472 823612906 /nfs/dbraw/zinc/61/29/06/823612906.db2.gz NSOWMIYHNVWFSI-GOSISDBHSA-N 1 0 393.560 4.036 20 0 GIADRO CC[C@H]([NH2+]CC(=O)N1CCC[C@@H]1c1cc(OC)ccc1OC)c1ccccc1 ZINC000411887265 823612970 /nfs/dbraw/zinc/61/29/70/823612970.db2.gz NUSOMUKRHAXVBE-LEWJYISDSA-N 1 0 382.504 4.108 20 0 GIADRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1cccc(C(=O)N(CC)CC)c1)c1ccccc1 ZINC000411887481 823613011 /nfs/dbraw/zinc/61/30/11/823613011.db2.gz OJUJALIBKCHFIL-UTKZUKDTSA-N 1 0 381.520 4.237 20 0 GIADRO CCN(Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000190822508 823613158 /nfs/dbraw/zinc/61/31/58/823613158.db2.gz AMFQGKCZJCBWCT-ROUUACIJSA-N 1 0 382.552 4.352 20 0 GIADRO CC(C)(C)c1nnc(N2CCC[C@@H]([NH+]3CCCC3)CC2)n1Cc1cccs1 ZINC000461297403 823613228 /nfs/dbraw/zinc/61/32/28/823613228.db2.gz USZDCGXYFGNIIO-QGZVFWFLSA-N 1 0 387.597 4.140 20 0 GIADRO COc1c(F)cc(NC(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1F ZINC000061775400 823613416 /nfs/dbraw/zinc/61/34/16/823613416.db2.gz ACJLAFNZGSKPHN-UHFFFAOYSA-N 1 0 395.475 4.069 20 0 GIADRO CCN(C(=O)C(=O)Nc1cccc2c1C[N@@H+]([C@@H](C)C(C)C)C2)C1CC(C)(C)C1 ZINC000411894307 823613632 /nfs/dbraw/zinc/61/36/32/823613632.db2.gz RDGUAYNASBYVFP-INIZCTEOSA-N 1 0 385.552 4.022 20 0 GIADRO CN(c1ccc(NCc2ccc(Br)o2)cc1)C1CC[NH+](C)CC1 ZINC000190836411 823614651 /nfs/dbraw/zinc/61/46/51/823614651.db2.gz KBAIUGFUYHGABN-UHFFFAOYSA-N 1 0 378.314 4.185 20 0 GIADRO CC(C)CCN(C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)C1CC1 ZINC000061790815 823614673 /nfs/dbraw/zinc/61/46/73/823614673.db2.gz AKZYIAVGRFFAIE-UHFFFAOYSA-N 1 0 375.582 4.320 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)N(Cc1ccccc1)C1CC1 ZINC000061792419 823614848 /nfs/dbraw/zinc/61/48/48/823614848.db2.gz AWNMFBIUOCASHX-UHFFFAOYSA-N 1 0 395.572 4.474 20 0 GIADRO Cc1ccc(CNC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)c(C)c1 ZINC000061791958 823614911 /nfs/dbraw/zinc/61/49/11/823614911.db2.gz JVRBYRJYFXSTTA-UHFFFAOYSA-N 1 0 383.561 4.216 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)N[C@@H]1CCc2ccccc21 ZINC000061792875 823614924 /nfs/dbraw/zinc/61/49/24/823614924.db2.gz NDBFAGJECIJBDM-OAQYLSRUSA-N 1 0 381.545 4.087 20 0 GIADRO Cc1ccc2[nH]c([C@H]3CCCN3C(=O)NC[C@@H](c3ccccc3)[NH+](C)C)nc2c1 ZINC000061794726 823615134 /nfs/dbraw/zinc/61/51/34/823615134.db2.gz UIHUWMBJRRGEDP-RTWAWAEBSA-N 1 0 391.519 4.021 20 0 GIADRO CO[C@](C)([C@H](C)[NH2+]Cc1coc(-c2ccc(Br)cc2)n1)C1CC1 ZINC000411939190 823615193 /nfs/dbraw/zinc/61/51/93/823615193.db2.gz FCMVBVGTNHMMQA-KPZWWZAWSA-N 1 0 379.298 4.397 20 0 GIADRO C[C@@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)[N@@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000411945246 823615587 /nfs/dbraw/zinc/61/55/87/823615587.db2.gz PIVJQLJPGXUJPL-NWDGAFQWSA-N 1 0 382.291 4.120 20 0 GIADRO C[C@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)[N@@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000411945249 823615669 /nfs/dbraw/zinc/61/56/69/823615669.db2.gz PIVJQLJPGXUJPL-VXGBXAGGSA-N 1 0 382.291 4.120 20 0 GIADRO Cc1cc(C(F)(F)F)ccc1C[NH2+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000190850589 823616252 /nfs/dbraw/zinc/61/62/52/823616252.db2.gz HAPHUTQPIBETDE-LJQANCHMSA-N 1 0 392.421 4.421 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@H]2CC(C)(C)c3ccccc32)c1 ZINC000124676546 823616280 /nfs/dbraw/zinc/61/62/80/823616280.db2.gz IHOQFXNOIAKZML-NRFANRHFSA-N 1 0 393.531 4.006 20 0 GIADRO Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)NCCCC[NH+]3CCC(C)CC3)nc2c1 ZINC000061864455 823616392 /nfs/dbraw/zinc/61/63/92/823616392.db2.gz KWMZOHFUSXPLAJ-NRFANRHFSA-N 1 0 397.567 4.230 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)N[C@H](C)c2ccc(OC(C)C)cc2)c1 ZINC000061862025 823616418 /nfs/dbraw/zinc/61/64/18/823616418.db2.gz KQOIQNQSXNBUJE-GOSISDBHSA-N 1 0 383.536 4.486 20 0 GIADRO CO[C@](C)([C@H](C)[NH2+]CC(=O)N(C)C(c1ccccc1)c1ccccc1)C1CC1 ZINC000411961387 823616782 /nfs/dbraw/zinc/61/67/82/823616782.db2.gz ZWGJVEDTPBFOBC-MHECFPHRSA-N 1 0 380.532 4.028 20 0 GIADRO CC(C)[C@@H](NC(=O)c1cccc(C[NH+]2CCCCC2)c1)c1nc(C2CC2)no1 ZINC000411967111 823616958 /nfs/dbraw/zinc/61/69/58/823616958.db2.gz DAPPOUCRVXHDOP-LJQANCHMSA-N 1 0 382.508 4.060 20 0 GIADRO CCC[N@H+](CCCn1ccnc1C)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000124683592 823616982 /nfs/dbraw/zinc/61/69/82/823616982.db2.gz MZXCTJOTTMMYHP-UHFFFAOYSA-N 1 0 383.323 4.239 20 0 GIADRO CSc1ccccc1OC[C@H](O)C[N@H+](Cc1ccc(C(C)=O)cc1)C(C)C ZINC000411978318 823617665 /nfs/dbraw/zinc/61/76/65/823617665.db2.gz CSPMSJBWWYMWAW-HXUWFJFHSA-N 1 0 387.545 4.261 20 0 GIADRO CC(=O)N(c1nc(C[N@@H+]2C[C@@H](c3ccccc3)C3(CCC3)C2)cs1)C1CC1 ZINC000411989009 823618358 /nfs/dbraw/zinc/61/83/58/823618358.db2.gz QVADJHPXWHPTEP-FQEVSTJZSA-N 1 0 381.545 4.428 20 0 GIADRO Cc1csc(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)c1Br ZINC000190878154 823618912 /nfs/dbraw/zinc/61/89/12/823618912.db2.gz SOGWHEUUKLSWNE-OAHLLOKOSA-N 1 0 393.350 4.386 20 0 GIADRO CCN(C(=O)[C@H](C)[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1)c1ccccc1 ZINC000411993369 823618947 /nfs/dbraw/zinc/61/89/47/823618947.db2.gz ZBDMVDWCPFFMBQ-SIKLNZKXSA-N 1 0 378.516 4.282 20 0 GIADRO CSc1ccccc1OC[C@H](O)C[N@H+](Cc1cn2cc(C)ccc2n1)C(C)C ZINC000411991874 823618954 /nfs/dbraw/zinc/61/89/54/823618954.db2.gz YLMHJKCMNFSQIQ-LJQANCHMSA-N 1 0 399.560 4.015 20 0 GIADRO C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000411995208 823619149 /nfs/dbraw/zinc/61/91/49/823619149.db2.gz CILIQVJEZJZXAS-PWHSHALESA-N 1 0 390.527 4.206 20 0 GIADRO C[C@@H](c1ccco1)N(C)C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000124711610 823619770 /nfs/dbraw/zinc/61/97/70/823619770.db2.gz XWKNWWWKINLVHO-YJBOKZPZSA-N 1 0 375.900 4.473 20 0 GIADRO Cc1csc(C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1Br ZINC000190889830 823620126 /nfs/dbraw/zinc/62/01/26/823620126.db2.gz CIHIQDOGNQPPGP-BETUJISGSA-N 1 0 387.387 4.307 20 0 GIADRO Cc1nc(CSc2ccccc2C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cs1 ZINC000124714783 823620150 /nfs/dbraw/zinc/62/01/50/823620150.db2.gz IKXHOICBCTXZGB-RHSMWYFYSA-N 1 0 389.590 4.299 20 0 GIADRO Cc1ccccc1CN(C)C(=O)[C@H](C)[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000412000909 823620456 /nfs/dbraw/zinc/62/04/56/823620456.db2.gz PHPWBHGRQXFJMF-NZQKXSOJSA-N 1 0 392.543 4.196 20 0 GIADRO CCCC[C@@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)c1ccc(OC)cc1 ZINC000412003258 823620817 /nfs/dbraw/zinc/62/08/17/823620817.db2.gz PGQYCNSLZZQDPT-TZIWHRDSSA-N 1 0 390.593 4.260 20 0 GIADRO CCN(CC)C(=O)[C@H](c1ccccc1)[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412004070 823621084 /nfs/dbraw/zinc/62/10/84/823621084.db2.gz YAULTLKIIBHKQM-GOTSBHOMSA-N 1 0 392.543 4.450 20 0 GIADRO CCOc1ccc(NC(=O)CC[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)cc1 ZINC000412006050 823621531 /nfs/dbraw/zinc/62/15/31/823621531.db2.gz BFLZALZFYOUEQO-QHCPKHFHSA-N 1 0 394.515 4.268 20 0 GIADRO C[C@H](CC[NH2+][C@@H](c1ccccc1)C1(CO)CCOCC1)OCc1ccccc1 ZINC000412006265 823621569 /nfs/dbraw/zinc/62/15/69/823621569.db2.gz CTQAQQMQBDUITR-OFNKIYASSA-N 1 0 383.532 4.102 20 0 GIADRO C[C@@H]1CC[C@H](C[NH2+]C2(c3ccc(OCc4ccccc4)cc3)CCOCC2)O1 ZINC000190905518 823622376 /nfs/dbraw/zinc/62/23/76/823622376.db2.gz MMBBESYJENGPBU-AUSIDOKSSA-N 1 0 381.516 4.428 20 0 GIADRO Cc1cc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c(C)n1-c1nccs1 ZINC000124739204 823622413 /nfs/dbraw/zinc/62/24/13/823622413.db2.gz STADZTAGLVGHJW-HXUWFJFHSA-N 1 0 394.544 4.118 20 0 GIADRO CO[C@@H]1CC[C@H]([NH2+]Cc2cc(Br)ccc2OCc2ccccn2)C1 ZINC000190913849 823623388 /nfs/dbraw/zinc/62/33/88/823623388.db2.gz RIDXGQFDOIEVPQ-FUHWJXTLSA-N 1 0 391.309 4.080 20 0 GIADRO O=C1CCCN1[C@@H]1CCC[N@@H+](CC/C=C/c2ccc(Br)cc2)CC1 ZINC000412059577 823624940 /nfs/dbraw/zinc/62/49/40/823624940.db2.gz XQDBFDVGHYZIIU-PNSHKWOCSA-N 1 0 391.353 4.329 20 0 GIADRO CCc1ccc(C(=O)CCC(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000062231396 823625260 /nfs/dbraw/zinc/62/52/60/823625260.db2.gz SKILNUWKMZIMPD-QFIPXVFZSA-N 1 0 392.543 4.240 20 0 GIADRO O=C(Cc1ccc(C(F)(F)F)cc1)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000062230945 823625344 /nfs/dbraw/zinc/62/53/44/823625344.db2.gz SYHGLCLEHPQEGR-IBGZPJMESA-N 1 0 390.449 4.276 20 0 GIADRO COC(=O)[C@@]1(C)CCC[N@@H+]([C@H](C)c2nnc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC000412065963 823625528 /nfs/dbraw/zinc/62/55/28/823625528.db2.gz LHBAARTVGNHXGO-ZMZPIMSZSA-N 1 0 398.290 4.380 20 0 GIADRO C[C@H]([NH2+]Cc1cc(Br)c(Cl)s1)C(=O)N1CCCC[C@H]1C ZINC000190926676 823625569 /nfs/dbraw/zinc/62/55/69/823625569.db2.gz IBCAXBABXRBTPP-ZJUUUORDSA-N 1 0 379.751 4.043 20 0 GIADRO Cc1ccc(NC(=O)[C@@H](C)[NH2+]CC2(c3ccccc3C)CCOCC2)c(C)c1 ZINC000062240137 823625678 /nfs/dbraw/zinc/62/56/78/823625678.db2.gz UNDIQRFETZIWPK-HXUWFJFHSA-N 1 0 380.532 4.277 20 0 GIADRO CC(C)C[NH+]1CCC(NC(=O)c2csc(-c3ccc(Cl)s3)n2)CC1 ZINC000062244453 823625862 /nfs/dbraw/zinc/62/58/62/823625862.db2.gz HMVGFDKDKIQFQR-UHFFFAOYSA-N 1 0 383.970 4.375 20 0 GIADRO CC(C)(CC(F)F)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000412105937 823626780 /nfs/dbraw/zinc/62/67/80/823626780.db2.gz BCDOQWXBRGHAOM-CQSZACIVSA-N 1 0 378.385 4.077 20 0 GIADRO COc1cc(Cl)c(F)c(C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000412132282 823628832 /nfs/dbraw/zinc/62/88/32/823628832.db2.gz PTYFYLMEXUZUDO-KZULUSFZSA-N 1 0 396.915 4.362 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C[C@H](c1ccc(O)cc1)C1CC1 ZINC000412132429 823628839 /nfs/dbraw/zinc/62/88/39/823628839.db2.gz QCLDWWAJMQITOE-DVECYGJZSA-N 1 0 392.543 4.399 20 0 GIADRO COc1ccccc1[C@@H]1C[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000412136077 823629192 /nfs/dbraw/zinc/62/91/92/823629192.db2.gz VVTXRBQTHXDXNI-VGSGFSFPSA-N 1 0 392.543 4.310 20 0 GIADRO CC(C)[C@@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)c1ccc(Cl)cc1 ZINC000412141136 823629727 /nfs/dbraw/zinc/62/97/27/823629727.db2.gz WINZGRDLOODKLG-RTBURBONSA-N 1 0 380.985 4.371 20 0 GIADRO C[C@@H](C(=O)NCCc1ccccc1)[NH+]1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000062367232 823629810 /nfs/dbraw/zinc/62/98/10/823629810.db2.gz RXLPSQIMBZYQLN-SFHVURJKSA-N 1 0 375.516 4.095 20 0 GIADRO CSc1cccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)c1 ZINC000062369234 823630028 /nfs/dbraw/zinc/63/00/28/823630028.db2.gz NXXDSINBZKNMJV-UHFFFAOYSA-N 1 0 379.476 4.282 20 0 GIADRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(F)c1 ZINC000062369101 823630080 /nfs/dbraw/zinc/63/00/80/823630080.db2.gz NADJJODXDAKNHN-UHFFFAOYSA-N 1 0 383.389 4.440 20 0 GIADRO C[C@H](CN1CCCC1=O)[NH2+]Cc1ccccc1Oc1ccc(F)cc1Cl ZINC000461410131 823631080 /nfs/dbraw/zinc/63/10/80/823631080.db2.gz WCRLZZLEECJPNX-CQSZACIVSA-N 1 0 376.859 4.372 20 0 GIADRO CSc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)cc1 ZINC000062379868 823631388 /nfs/dbraw/zinc/63/13/88/823631388.db2.gz DVDJECZAICTCMY-UHFFFAOYSA-N 1 0 379.476 4.282 20 0 GIADRO O=C(Nc1cccc(Cn2cccn2)c1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000062388011 823631984 /nfs/dbraw/zinc/63/19/84/823631984.db2.gz USDUDLASMVLUKT-UHFFFAOYSA-N 1 0 395.551 4.098 20 0 GIADRO CN(C)C1(C[NH2+]Cc2ccccc2Oc2ccc(F)cc2Cl)CCOCC1 ZINC000461419018 823632349 /nfs/dbraw/zinc/63/23/49/823632349.db2.gz FUUVWTWBGPWKKE-UHFFFAOYSA-N 1 0 392.902 4.472 20 0 GIADRO Cc1csc(C(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1Br ZINC000190970432 823632459 /nfs/dbraw/zinc/63/24/59/823632459.db2.gz NBKSJKHWWAUJSW-DZGCQCFKSA-N 1 0 393.350 4.212 20 0 GIADRO Cc1c(Cl)cccc1-n1c(SC[C@H]2CC[N@@H+](C)C2)nnc1-c1ccncc1 ZINC000190971045 823632561 /nfs/dbraw/zinc/63/25/61/823632561.db2.gz PCYABDVUMCYALJ-HNNXBMFYSA-N 1 0 399.951 4.335 20 0 GIADRO Cc1cc(C(F)(F)F)ccc1C[NH2+]CCCC(=O)N1Cc2ccccc2C1 ZINC000190972009 823632631 /nfs/dbraw/zinc/63/26/31/823632631.db2.gz XDGXOJOQVBVYJU-UHFFFAOYSA-N 1 0 376.422 4.426 20 0 GIADRO O=C(Cc1cccc(C(F)F)c1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461420527 823632804 /nfs/dbraw/zinc/63/28/04/823632804.db2.gz BCKYDMWGJKWUFU-LEWJYISDSA-N 1 0 384.470 4.147 20 0 GIADRO COC(=O)C[C@](C)([NH2+]Cc1ccc(SC(F)(F)F)cc1)c1ccncc1 ZINC000190973854 823632952 /nfs/dbraw/zinc/63/29/52/823632952.db2.gz OXXHOENGDBKOQZ-KRWDZBQOSA-N 1 0 384.423 4.262 20 0 GIADRO O=C(c1ccc(-c2ccccc2)[nH]1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461421480 823633094 /nfs/dbraw/zinc/63/30/94/823633094.db2.gz CPGMQTSPJOQNBN-YADHBBJMSA-N 1 0 385.511 4.276 20 0 GIADRO O=C(c1cc2c(ccc(Cl)c2Cl)[nH]1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000461422113 823633288 /nfs/dbraw/zinc/63/32/88/823633288.db2.gz DGCFOUDSUKMHPP-CYBMUJFWSA-N 1 0 380.319 4.423 20 0 GIADRO COc1c(Cl)cccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000062407439 823633550 /nfs/dbraw/zinc/63/35/50/823633550.db2.gz NXMYJBLMAZOHGC-UHFFFAOYSA-N 1 0 397.853 4.223 20 0 GIADRO C[C@@H]1CN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)C[C@@H](c2ccsc2)O1 ZINC000412185715 823633945 /nfs/dbraw/zinc/63/39/45/823633945.db2.gz MQLJZFMWSQLDLR-UTKZUKDTSA-N 1 0 384.545 4.336 20 0 GIADRO CC[C@H](OC1CCCCC1)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461426974 823634356 /nfs/dbraw/zinc/63/43/56/823634356.db2.gz LFTPKHZAMHODDB-GIWBLDEGSA-N 1 0 384.564 4.095 20 0 GIADRO O=C(CCc1cncc2ccccc21)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461427021 823634557 /nfs/dbraw/zinc/63/45/57/823634557.db2.gz KITXHHZSBHVAIG-DNQXCXABSA-N 1 0 399.538 4.148 20 0 GIADRO O=C([C@@H]1C[C@H]1c1cccc(O)c1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000412195472 823634590 /nfs/dbraw/zinc/63/45/90/823634590.db2.gz PUINTVMAEOQBQB-IQFVJIFQSA-N 1 0 390.527 4.009 20 0 GIADRO COCCOc1ccc([C@@H](C)[NH2+]Cc2cc(OC)nc3ccccc23)cc1OC ZINC000124895578 823634686 /nfs/dbraw/zinc/63/46/86/823634686.db2.gz IZYAYEJOWNXAQB-MRXNPFEDSA-N 1 0 396.487 4.128 20 0 GIADRO CCC(CC)n1ncc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1C ZINC000461428254 823634889 /nfs/dbraw/zinc/63/48/89/823634889.db2.gz MRIYQDOAEKHKTC-NHCUHLMSSA-N 1 0 394.563 4.147 20 0 GIADRO O=C(Nc1ccc(Cl)cn1)C1CC[NH+](C[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000190986728 823634948 /nfs/dbraw/zinc/63/49/48/823634948.db2.gz JJDUOERUDCPYNO-GOSISDBHSA-N 1 0 391.943 4.267 20 0 GIADRO Cc1cc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)nc2ccccc12 ZINC000461429884 823635077 /nfs/dbraw/zinc/63/50/77/823635077.db2.gz PDLXNLDDKIVXQK-SFTDATJTSA-N 1 0 385.511 4.137 20 0 GIADRO CC(=O)c1ccc2c(c1)CCN(C(=O)c1cccc(C[NH+]3CCCCC3)c1)CC2 ZINC000412212750 823636267 /nfs/dbraw/zinc/63/62/67/823636267.db2.gz HWYWDDWDTJMSRK-UHFFFAOYSA-N 1 0 390.527 4.116 20 0 GIADRO O=C(COc1ccccc1-c1ccccc1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000461433160 823636244 /nfs/dbraw/zinc/63/62/44/823636244.db2.gz QKTUIKBSNOFEBW-FQEVSTJZSA-N 1 0 378.516 4.067 20 0 GIADRO Cc1ccc(C[C@H](C)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000461433240 823636248 /nfs/dbraw/zinc/63/62/48/823636248.db2.gz WIZLSGBIWKUAFD-OYDLWJJNSA-N 1 0 376.544 4.154 20 0 GIADRO CS[C@H](C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)c1ccccc1 ZINC000461433112 823636254 /nfs/dbraw/zinc/63/62/54/823636254.db2.gz PONBQKZGWPXXDQ-VSKRKVRLSA-N 1 0 380.557 4.071 20 0 GIADRO CCC(CC)n1nc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1C ZINC000461434299 823636442 /nfs/dbraw/zinc/63/64/42/823636442.db2.gz XWMCNTBNNGKUII-NHCUHLMSSA-N 1 0 394.563 4.147 20 0 GIADRO C[N@@H+]1CC[C@H](CSC2=N/C(=C/c3ccccc3)C(=O)N2c2ccc(F)cc2)C1 ZINC000191001125 823636856 /nfs/dbraw/zinc/63/68/56/823636856.db2.gz KMMUSHLXFSXOKR-NNIWKIFQSA-N 1 0 395.503 4.254 20 0 GIADRO Cc1ccnc2ccc(C(=O)N3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@@H]4C3)cc12 ZINC000461435775 823636888 /nfs/dbraw/zinc/63/68/88/823636888.db2.gz ZWXQYAJOCUGBOB-FCHUYYIVSA-N 1 0 385.511 4.137 20 0 GIADRO Cc1nc(CC(C)C)c(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)s1 ZINC000461440099 823637785 /nfs/dbraw/zinc/63/77/85/823637785.db2.gz WSZLGMBCXWYJGV-UXHICEINSA-N 1 0 397.588 4.244 20 0 GIADRO COc1ccc([C@H](OC)[C@H](C)NC(=O)c2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000412233417 823637980 /nfs/dbraw/zinc/63/79/80/823637980.db2.gz UCCREOMDVNTWIE-FDDCHVKYSA-N 1 0 396.531 4.187 20 0 GIADRO CC(C)(C)c1ccc(OCCCC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000461441677 823638314 /nfs/dbraw/zinc/63/83/14/823638314.db2.gz GNFQRLKINGFSKV-HXUWFJFHSA-N 1 0 386.580 4.478 20 0 GIADRO O=C(N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)C1(c2ccc(Cl)cc2)CC1 ZINC000461441897 823638488 /nfs/dbraw/zinc/63/84/88/823638488.db2.gz DLFIYAPAZQRNLF-VQTJNVASSA-N 1 0 394.946 4.352 20 0 GIADRO O=C(Nc1ncc(C2CCCCC2)s1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412238452 823638613 /nfs/dbraw/zinc/63/86/13/823638613.db2.gz ADPIPGGXWXGZLI-MRXNPFEDSA-N 1 0 379.595 4.347 20 0 GIADRO O=C(c1coc(C2CCCCC2)n1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461443126 823638617 /nfs/dbraw/zinc/63/86/17/823638617.db2.gz ILQOTTMJMXLNPP-RTWAWAEBSA-N 1 0 393.531 4.316 20 0 GIADRO Cc1ccc([C@@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)s1 ZINC000062499905 823638769 /nfs/dbraw/zinc/63/87/69/823638769.db2.gz OFYTWXIXKIBAPG-CQSZACIVSA-N 1 0 381.492 4.169 20 0 GIADRO C[C@H](CC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)c1ccccc1F ZINC000461446569 823639508 /nfs/dbraw/zinc/63/95/08/823639508.db2.gz HHZHLFHPJMASPE-HLAWJBBLSA-N 1 0 380.507 4.300 20 0 GIADRO O=C(c1ccc(-n2cccc2)cc1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461448391 823639834 /nfs/dbraw/zinc/63/98/34/823639834.db2.gz UXFDPJVOFCOEDR-GOTSBHOMSA-N 1 0 385.511 4.071 20 0 GIADRO CSc1c(F)cccc1C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461449902 823639967 /nfs/dbraw/zinc/63/99/67/823639967.db2.gz PEXRSSSSAOTJOL-ROUUACIJSA-N 1 0 384.520 4.142 20 0 GIADRO O=C(c1ccccc1OCC1CC1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461448944 823640005 /nfs/dbraw/zinc/64/00/05/823640005.db2.gz WURJRKZYKFHLJL-YADHBBJMSA-N 1 0 390.527 4.070 20 0 GIADRO Cc1ccc2cc(C(=O)N3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@H]4C3)ccc2n1 ZINC000461449950 823640025 /nfs/dbraw/zinc/64/00/25/823640025.db2.gz PLMQKAHYFCQHJU-GOTSBHOMSA-N 1 0 385.511 4.137 20 0 GIADRO O=C(c1ccccc1OCC1CC1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461448941 823640027 /nfs/dbraw/zinc/64/00/27/823640027.db2.gz WURJRKZYKFHLJL-FCHUYYIVSA-N 1 0 390.527 4.070 20 0 GIADRO O=C(c1sccc1-n1cccc1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461455075 823641073 /nfs/dbraw/zinc/64/10/73/823641073.db2.gz KDDYGVAXRXCPJF-UXHICEINSA-N 1 0 391.540 4.133 20 0 GIADRO Cc1nc(CC(C)C)sc1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461454905 823641128 /nfs/dbraw/zinc/64/11/28/823641128.db2.gz ISTRENGXPZRJME-UXHICEINSA-N 1 0 397.588 4.244 20 0 GIADRO O=C(c1cccc(C[NH+]2CCCCC2)c1)N1CC[C@@H](COc2ccccc2)C1 ZINC000412261978 823641204 /nfs/dbraw/zinc/64/12/04/823641204.db2.gz XSDGJJFJRUAOQP-OAQYLSRUSA-N 1 0 378.516 4.214 20 0 GIADRO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)c2cccc(Cc3ccccc3)c2)C1 ZINC000412264998 823641460 /nfs/dbraw/zinc/64/14/60/823641460.db2.gz BWVVUEVFVMLCRP-DEOSSOPVSA-N 1 0 399.538 4.267 20 0 GIADRO Cc1[nH]c2c(cccc2C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1C ZINC000461457678 823641750 /nfs/dbraw/zinc/64/17/50/823641750.db2.gz QRSSOIXJCCTOHD-LEWJYISDSA-N 1 0 387.527 4.379 20 0 GIADRO Cc1cc(CNC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)ccc1-c1ccccc1 ZINC000412268533 823641780 /nfs/dbraw/zinc/64/17/80/823641780.db2.gz JBDSWJRLVLZTJJ-QFIPXVFZSA-N 1 0 394.584 4.496 20 0 GIADRO O=C(c1csc2ccccc12)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461458044 823641923 /nfs/dbraw/zinc/64/19/23/823641923.db2.gz XBFBIBNBYSRSOF-RTBURBONSA-N 1 0 376.525 4.495 20 0 GIADRO O=C(c1cccc(C[NH+]2CCCCC2)c1)N1CC2(CCOCC2)c2ccccc21 ZINC000412284100 823642819 /nfs/dbraw/zinc/64/28/19/823642819.db2.gz CWULCUWVKMNWTL-UHFFFAOYSA-N 1 0 390.527 4.381 20 0 GIADRO O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1c[nH]nc1-c1ccsc1 ZINC000461465916 823642972 /nfs/dbraw/zinc/64/29/72/823642972.db2.gz HORCWGLWZXWVIZ-GOSISDBHSA-N 1 0 394.544 4.170 20 0 GIADRO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC(=O)c2ccccc21 ZINC000461468419 823643302 /nfs/dbraw/zinc/64/33/02/823643302.db2.gz JROYMYMTAXZQBZ-NZQKXSOJSA-N 1 0 390.527 4.165 20 0 GIADRO CCC[C@@H](C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000461470805 823643718 /nfs/dbraw/zinc/64/37/18/823643718.db2.gz ZIUOJGBDZZHWEO-FGZHOGPDSA-N 1 0 379.548 4.384 20 0 GIADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1c[nH]nc1-c1ccccc1Cl ZINC000124997917 823643773 /nfs/dbraw/zinc/64/37/73/823643773.db2.gz SOCGPGHVWFJELG-UHFFFAOYSA-N 1 0 386.927 4.257 20 0 GIADRO O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N1C[C@H](c2ccccc2)c2ccccc21 ZINC000412296592 823644101 /nfs/dbraw/zinc/64/41/01/823644101.db2.gz VWPMOCJDIXEHLO-RBBKRZOGSA-N 1 0 392.568 4.383 20 0 GIADRO Cc1ccc(-c2cccnc2)cc1NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412302647 823644509 /nfs/dbraw/zinc/64/45/09/823644509.db2.gz GOWCMNRWOUKSRM-HXUWFJFHSA-N 1 0 381.545 4.213 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=S)Nc3ccccc3C)CC2)cc1 ZINC000062700191 823644976 /nfs/dbraw/zinc/64/49/76/823644976.db2.gz KSFNPNFTJJGFRM-UHFFFAOYSA-N 1 0 383.561 4.202 20 0 GIADRO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2C(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000412316879 823645760 /nfs/dbraw/zinc/64/57/60/823645760.db2.gz NNEDQZKXQPXLTE-HWHRFOGPSA-N 1 0 384.564 4.074 20 0 GIADRO COc1ccc(OC)c([C@@H](O)C[NH2+][C@H](C)c2sc(C(C)(C)C)nc2C)c1 ZINC000125022476 823645835 /nfs/dbraw/zinc/64/58/35/823645835.db2.gz FMRBZYWLQFUVQW-WBMJQRKESA-N 1 0 378.538 4.150 20 0 GIADRO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000412316880 823645820 /nfs/dbraw/zinc/64/58/20/823645820.db2.gz NNEDQZKXQPXLTE-MSYGRNIXSA-N 1 0 384.564 4.074 20 0 GIADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(C)o3)n2Cc2cccs2)CC1 ZINC000461484655 823646353 /nfs/dbraw/zinc/64/63/53/823646353.db2.gz UJEXCFCCDGTNHX-UHFFFAOYSA-N 1 0 399.564 4.267 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)NCc2ccc(OC)c(Cl)c2)CC1 ZINC000125035641 823647043 /nfs/dbraw/zinc/64/70/43/823647043.db2.gz ICFGOLLZINKLOY-UHFFFAOYSA-N 1 0 381.948 4.002 20 0 GIADRO C[C@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000191087760 823647069 /nfs/dbraw/zinc/64/70/69/823647069.db2.gz GVHOBURVXLFPRZ-APWZRJJASA-N 1 0 397.485 4.469 20 0 GIADRO CC[C@@H](C)c1nnc(N2CCC[C@H]([NH+]3CCCC3)CC2)n1Cc1cccs1 ZINC000461489848 823647280 /nfs/dbraw/zinc/64/72/80/823647280.db2.gz OSWOBCGBBJMHTA-MSOLQXFVSA-N 1 0 387.597 4.356 20 0 GIADRO CC[C@@H](C)c1nnc(N2CCC[C@@H]([NH+]3CCCC3)CC2)n1Cc1cccs1 ZINC000461489849 823647308 /nfs/dbraw/zinc/64/73/08/823647308.db2.gz OSWOBCGBBJMHTA-QZTJIDSGSA-N 1 0 387.597 4.356 20 0 GIADRO Cn1ccnc1[C@H](O)[C@@H]1CCC[N@H+](CCCCc2ccc(Cl)c(Cl)c2)C1 ZINC000191092558 823647757 /nfs/dbraw/zinc/64/77/57/823647757.db2.gz BOBINIRQFDJVOJ-VQIMIIECSA-N 1 0 396.362 4.495 20 0 GIADRO Cc1cccc(-c2cnc(NC(=O)C3CC[NH+]([C@H]4CCSC4)CC3)s2)c1 ZINC000412341841 823648371 /nfs/dbraw/zinc/64/83/71/823648371.db2.gz FXFKLKUSQBZKCB-KRWDZBQOSA-N 1 0 387.574 4.275 20 0 GIADRO CC1CC[NH+]([C@H](CNC(=O)CSCc2cscn2)c2cccs2)CC1 ZINC000125058773 823648864 /nfs/dbraw/zinc/64/88/64/823648864.db2.gz CGZONDODDIRIME-MRXNPFEDSA-N 1 0 395.619 4.027 20 0 GIADRO O=C(Nc1nc(CC(F)(F)F)cs1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412364008 823650016 /nfs/dbraw/zinc/65/00/16/823650016.db2.gz IOKKCFQZZKEQSD-UHFFFAOYSA-N 1 0 383.439 4.486 20 0 GIADRO Cc1ccc(OC[C@@H](C)NC(=O)NCc2ccccc2C[N@H+](C)C(C)C)cc1 ZINC000063071026 823650109 /nfs/dbraw/zinc/65/01/09/823650109.db2.gz CYFMWVYJWURZHX-LJQANCHMSA-N 1 0 383.536 4.102 20 0 GIADRO COc1ccc(SCCC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000063080683 823650372 /nfs/dbraw/zinc/65/03/72/823650372.db2.gz PIVFINBITVUWHC-UHFFFAOYSA-N 1 0 398.572 4.206 20 0 GIADRO CC1CC[NH+](C2CCC(NC(=O)NCc3cc(-c4ccccc4)on3)CC2)CC1 ZINC000125081406 823650622 /nfs/dbraw/zinc/65/06/22/823650622.db2.gz ZLYSEQBOKFAERU-UHFFFAOYSA-N 1 0 396.535 4.184 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000125088450 823651094 /nfs/dbraw/zinc/65/10/94/823651094.db2.gz SLCXIHPBLJEXTA-LWILDLIXSA-N 1 0 377.550 4.011 20 0 GIADRO COCCOc1ccc([C@H](C)[NH2+]Cc2cc(Br)ccc2F)cc1 ZINC000125090797 823651229 /nfs/dbraw/zinc/65/12/29/823651229.db2.gz HBVVEMKTLAKNGT-ZDUSSCGKSA-N 1 0 382.273 4.464 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)N2CCc3cc(Br)ccc3C2)c1 ZINC000191120364 823651235 /nfs/dbraw/zinc/65/12/35/823651235.db2.gz MXPNKUCYAUEVKT-UHFFFAOYSA-N 1 0 388.309 4.101 20 0 GIADRO COc1ccc([C@H](C[NH2+][C@@H](C)c2cnn(C(C)(C)C)c2C)N2CCCC2)cc1 ZINC000191121328 823651445 /nfs/dbraw/zinc/65/14/45/823651445.db2.gz VGGOZZSBWQYOMY-JTSKRJEESA-N 1 0 384.568 4.443 20 0 GIADRO Oc1cc2c(cc1C[N@@H+]1CCO[C@@H](c3ccc(Br)cc3)C1)CCC2 ZINC000063125715 823652167 /nfs/dbraw/zinc/65/21/67/823652167.db2.gz XZUKUYNCVBVIOC-HXUWFJFHSA-N 1 0 388.305 4.217 20 0 GIADRO Cc1nn(C)c(C)c1C[NH+]1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000125110853 823652366 /nfs/dbraw/zinc/65/23/66/823652366.db2.gz YQHYCHTUGKXXFU-UHFFFAOYSA-N 1 0 395.334 4.194 20 0 GIADRO C[C@H](NC(=S)NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1F ZINC000063144288 823652498 /nfs/dbraw/zinc/65/24/98/823652498.db2.gz RWPZDAPTKZBWLA-HNNXBMFYSA-N 1 0 389.515 4.155 20 0 GIADRO C[C@H]1C[C@@H](C(=O)Nc2ccc3c(Cl)ccc(Br)c3n2)CC[N@@H+]1C ZINC000412393958 823652593 /nfs/dbraw/zinc/65/25/93/823652593.db2.gz PTJRZDKJWKOTKV-QWRGUYRKSA-N 1 0 396.716 4.320 20 0 GIADRO S=C(NC1CC[NH+](Cc2ccccc2)CC1)NC1(c2ccccc2)CCC1 ZINC000063145865 823652796 /nfs/dbraw/zinc/65/27/96/823652796.db2.gz VTFTYEDTHCVCLL-UHFFFAOYSA-N 1 0 379.573 4.195 20 0 GIADRO S=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@H]1c1ccsc1 ZINC000063148878 823652884 /nfs/dbraw/zinc/65/28/84/823652884.db2.gz LHSWQZBQMHCJMK-FQEVSTJZSA-N 1 0 385.602 4.424 20 0 GIADRO CC(C)Oc1ccccc1NC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000063148660 823652916 /nfs/dbraw/zinc/65/29/16/823652916.db2.gz ASXRWISTWWPKMW-UHFFFAOYSA-N 1 0 383.561 4.425 20 0 GIADRO Cc1ccccc1C[C@H](C)NC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000063149801 823653216 /nfs/dbraw/zinc/65/32/16/823653216.db2.gz LYOULTOKRXZDML-IBGZPJMESA-N 1 0 381.589 4.055 20 0 GIADRO C[C@H]([NH2+]C1(CNCc2ccc(Br)o2)CCOCC1)c1ccccc1 ZINC000191153872 823654392 /nfs/dbraw/zinc/65/43/92/823654392.db2.gz QAPBUDZZOMTRIL-HNNXBMFYSA-N 1 0 393.325 4.032 20 0 GIADRO CCc1nc(NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)sc1C(C)(C)C ZINC000412427867 823654602 /nfs/dbraw/zinc/65/46/02/823654602.db2.gz QDKMWIRUDAZGHT-CQSZACIVSA-N 1 0 381.611 4.159 20 0 GIADRO C[C@@H](C[NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000191156100 823654594 /nfs/dbraw/zinc/65/45/94/823654594.db2.gz CEHCASZBNIVBPY-AWEZNQCLSA-N 1 0 380.410 4.296 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)CCc1ccccn1)c1ccc(C(F)(F)F)cc1 ZINC000063244737 823656441 /nfs/dbraw/zinc/65/64/41/823656441.db2.gz PQHAVZORKFRBKV-LJQANCHMSA-N 1 0 393.453 4.232 20 0 GIADRO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000125171206 823656631 /nfs/dbraw/zinc/65/66/31/823656631.db2.gz QGITUINHWYYTTE-SFHVURJKSA-N 1 0 388.577 4.489 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(Br)c1)c1ccc(NC(N)=O)cc1 ZINC000125174370 823656807 /nfs/dbraw/zinc/65/68/07/823656807.db2.gz UDKYIGJFIVAWSZ-MNOVXSKESA-N 1 0 380.261 4.491 20 0 GIADRO Cc1ccc(Cl)cc1C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000125190846 823658029 /nfs/dbraw/zinc/65/80/29/823658029.db2.gz MEDKVWRTWUPHJJ-LJQANCHMSA-N 1 0 399.922 4.067 20 0 GIADRO C[N@@H+]1CC[C@@H](CSc2nnc(-c3cccc(Cl)c3)n2Cc2ccco2)C1 ZINC000191194146 823658293 /nfs/dbraw/zinc/65/82/93/823658293.db2.gz SIAURWFVRMQOMC-CQSZACIVSA-N 1 0 388.924 4.284 20 0 GIADRO Cc1nc2ccccc2c(C)c1CC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000063271785 823658716 /nfs/dbraw/zinc/65/87/16/823658716.db2.gz WWXUNYCUXOXWBD-UHFFFAOYSA-N 1 0 379.548 4.165 20 0 GIADRO CCc1noc(CC)c1CC(=O)N(CC)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000125214582 823659681 /nfs/dbraw/zinc/65/96/81/823659681.db2.gz ZXWBKPMDKOBWHX-PKOBYXMFSA-N 1 0 383.536 4.026 20 0 GIADRO CC(C)[N@H+](CCCOc1ccc(S(C)(=O)=O)cc1)Cc1cccc(Cl)c1 ZINC000063286495 823660025 /nfs/dbraw/zinc/66/00/25/823660025.db2.gz PKXFNRUTNXWDQL-UHFFFAOYSA-N 1 0 395.952 4.423 20 0 GIADRO Cc1ccc(C(=O)N[C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c(Cl)c1 ZINC000191218578 823660103 /nfs/dbraw/zinc/66/01/03/823660103.db2.gz VOFCKAPDAWKHBB-HNNXBMFYSA-N 1 0 389.902 4.030 20 0 GIADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@H](C)c2csc(Cl)c2)cc1 ZINC000191219605 823660113 /nfs/dbraw/zinc/66/01/13/823660113.db2.gz FAFGSOXFCZWOPL-CYBMUJFWSA-N 1 0 386.970 4.283 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccc(Sc3ccccc3)cc2)CC[N@@H+]1C ZINC000125235193 823661099 /nfs/dbraw/zinc/66/10/99/823661099.db2.gz SEQMERSUASSXEF-MJGOQNOKSA-N 1 0 383.561 4.462 20 0 GIADRO C[NH+](C)Cc1ccc(NC(=O)C2(c3ccccc3Br)CC2)c(F)c1 ZINC000412556950 823661904 /nfs/dbraw/zinc/66/19/04/823661904.db2.gz HHQUOAWDULWHDT-UHFFFAOYSA-N 1 0 391.284 4.320 20 0 GIADRO CCCN(CCC)C(=O)c1cccc(C(=O)Nc2ccc(C[NH+](C)C)cc2F)c1 ZINC000412556304 823661945 /nfs/dbraw/zinc/66/19/45/823661945.db2.gz DWWVMDWEIJQGJU-UHFFFAOYSA-N 1 0 399.510 4.402 20 0 GIADRO Cc1c([C@H](C)[NH2+]C[C@@H](c2ccc(Cl)cc2)N2CCOCC2)cnn1C(C)C ZINC000191237131 823661926 /nfs/dbraw/zinc/66/19/26/823661926.db2.gz UULQUGSLJSBVNA-KKSFZXQISA-N 1 0 390.959 4.150 20 0 GIADRO C[NH+](C)Cc1ccc(NC(=O)CCc2cccc(Br)c2)c(F)c1 ZINC000412555608 823661997 /nfs/dbraw/zinc/66/19/97/823661997.db2.gz CFIFHJNRNDAQJY-UHFFFAOYSA-N 1 0 379.273 4.221 20 0 GIADRO CCCN(CC)C(=O)c1ccc(C(=O)Nc2ccc(C[NH+](C)C)cc2F)cc1 ZINC000412555986 823662030 /nfs/dbraw/zinc/66/20/30/823662030.db2.gz DDDTUSOWTGSIDT-UHFFFAOYSA-N 1 0 385.483 4.012 20 0 GIADRO C[C@H](C(=O)Nc1ccc(C[NH+](C)C)cc1F)c1ccc(Br)cc1 ZINC000412558149 823662193 /nfs/dbraw/zinc/66/21/93/823662193.db2.gz KOXOCLKMQJFILR-LBPRGKRZSA-N 1 0 379.273 4.392 20 0 GIADRO C[NH+](C)Cc1ccc(NC(=O)CCC(=O)c2ccc3c(c2)CCCC3)c(F)c1 ZINC000412561097 823662364 /nfs/dbraw/zinc/66/23/64/823662364.db2.gz RZCJGMXEBQCLPI-UHFFFAOYSA-N 1 0 382.479 4.368 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)c1cccc(OC2CCCC2)c1 ZINC000412560947 823662392 /nfs/dbraw/zinc/66/23/92/823662392.db2.gz CNNOPWLOXTWYHT-UHFFFAOYSA-N 1 0 398.503 4.209 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)[C@@H](C)Sc1ccc(C)cc1 ZINC000412560584 823662411 /nfs/dbraw/zinc/66/24/11/823662411.db2.gz BUMJJFGMLKSYKB-MRXNPFEDSA-N 1 0 388.533 4.063 20 0 GIADRO Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000412562299 823662584 /nfs/dbraw/zinc/66/25/84/823662584.db2.gz WGRGXAOIGWDSHO-UHFFFAOYSA-N 1 0 398.457 4.010 20 0 GIADRO Cc1cccc(CN(CC[NH+](C)C)C(=O)Nc2cc(-n3cccn3)ccc2C)c1 ZINC000191250817 823663391 /nfs/dbraw/zinc/66/33/91/823663391.db2.gz MDUDYXNURLWYJP-UHFFFAOYSA-N 1 0 391.519 4.085 20 0 GIADRO CC(C)Oc1cccc([C@@H](C)NC(=O)NC2CC[NH+](CC3CCCC3)CC2)c1 ZINC000063332573 823663440 /nfs/dbraw/zinc/66/34/40/823663440.db2.gz CBPLDDLATHJVGJ-GOSISDBHSA-N 1 0 387.568 4.489 20 0 GIADRO COc1cccc(C[C@@H]2CCCN2C(=O)NC2CC[NH+](CC3CCCC3)CC2)c1 ZINC000063332300 823663484 /nfs/dbraw/zinc/66/34/84/823663484.db2.gz KKPKAASOEHPYTL-QFIPXVFZSA-N 1 0 399.579 4.066 20 0 GIADRO Cc1c([C@@H](C)[NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)cnn1C(C)(C)C ZINC000191251453 823663450 /nfs/dbraw/zinc/66/34/50/823663450.db2.gz GULAJTBWHIOZAM-OAHLLOKOSA-N 1 0 378.561 4.244 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)NCC(C)(C)c2ccccc2OC)cc1 ZINC000063335139 823663751 /nfs/dbraw/zinc/66/37/51/823663751.db2.gz SVMNKKZQMUGTMS-UHFFFAOYSA-N 1 0 397.563 4.314 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)cnn1C(C)C ZINC000191254676 823663766 /nfs/dbraw/zinc/66/37/66/823663766.db2.gz MBYWQYSYTDRJEN-MSOLQXFVSA-N 1 0 397.567 4.441 20 0 GIADRO Cc1c([C@@H](C)[NH2+][C@@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)cnn1C(C)C ZINC000191254632 823663890 /nfs/dbraw/zinc/66/38/90/823663890.db2.gz MBYWQYSYTDRJEN-ZWKOTPCHSA-N 1 0 397.567 4.441 20 0 GIADRO Cc1c2ccccc2oc1[C@H](C)[NH2+][C@H](C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000191254460 823663905 /nfs/dbraw/zinc/66/39/05/823663905.db2.gz HPSDZRIRDYSJHR-FCEWJHQRSA-N 1 0 378.472 4.420 20 0 GIADRO Cc1nc(C)c(C(=O)N2CC[N@H+](Cc3ccccc3)C3(CCCCC3)C2)s1 ZINC000461581385 823664313 /nfs/dbraw/zinc/66/43/13/823664313.db2.gz RNCHOYPVIQMXMT-UHFFFAOYSA-N 1 0 383.561 4.421 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1OC(C)C ZINC000125281372 823664499 /nfs/dbraw/zinc/66/44/99/823664499.db2.gz XOODYCJGOLNUKK-JKSUJKDBSA-N 1 0 391.533 4.298 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)[C@H](C)Cc1cccc(Cl)c1 ZINC000412585291 823664538 /nfs/dbraw/zinc/66/45/38/823664538.db2.gz XTUBMVPICOZPLL-OAHLLOKOSA-N 1 0 390.911 4.106 20 0 GIADRO Cc1noc(C)c1[C@H](C)C(=O)OC[C@@H]1CCC[N@H+](Cc2cc(F)ccc2F)C1 ZINC000125281740 823664679 /nfs/dbraw/zinc/66/46/79/823664679.db2.gz HSEMDRZWWCZXFC-XJKSGUPXSA-N 1 0 392.446 4.129 20 0 GIADRO Cc1ccc(-c2noc(CCCN3CC[NH+](CCC(C)(C)C)CC3)n2)cc1F ZINC000125296007 823665791 /nfs/dbraw/zinc/66/57/91/823665791.db2.gz BOYFDDSWFPFUAH-UHFFFAOYSA-N 1 0 388.531 4.171 20 0 GIADRO Cc1c([C@@H](C)[NH2+]CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cnn1C(C)C ZINC000191276529 823666391 /nfs/dbraw/zinc/66/63/91/823666391.db2.gz BTQQSIQWRVYVAU-SJLPKXTDSA-N 1 0 378.561 4.460 20 0 GIADRO Cc1c([C@H](C)[NH2+]CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cnn1C(C)C ZINC000191276538 823666396 /nfs/dbraw/zinc/66/63/96/823666396.db2.gz BTQQSIQWRVYVAU-FUHWJXTLSA-N 1 0 378.561 4.460 20 0 GIADRO CCN(CCC[NH+](C)C)C(=O)Nc1cc(NC(=O)c2ccccc2)ccc1C ZINC000191279988 823666723 /nfs/dbraw/zinc/66/67/23/823666723.db2.gz UKHQXUTXOAZSNV-UHFFFAOYSA-N 1 0 382.508 4.053 20 0 GIADRO O=C(Nc1ccc(OC(F)F)c(F)c1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000063392244 823667110 /nfs/dbraw/zinc/66/71/10/823667110.db2.gz KBNNIMWZCRNVPA-UHFFFAOYSA-N 1 0 385.430 4.203 20 0 GIADRO Cc1c([C@@H](C)[NH2+][C@@H]2CCN(c3ccccc3OC(F)F)C2)cnn1C(C)C ZINC000191294055 823668288 /nfs/dbraw/zinc/66/82/88/823668288.db2.gz ZREOIDFETFRMEP-GDBMZVCRSA-N 1 0 378.467 4.303 20 0 GIADRO CCC[NH+]1CCN(c2ccc(NC(=O)CC3CC(OCC)C3)cc2Cl)CC1 ZINC000191292396 823668320 /nfs/dbraw/zinc/66/83/20/823668320.db2.gz LURZFKRPKKDCEA-UHFFFAOYSA-N 1 0 393.959 4.016 20 0 GIADRO Cc1c([C@H](C)[NH2+]CC2CCN(C(=O)c3ccccc3)CC2)cnn1C(C)(C)C ZINC000191300128 823668979 /nfs/dbraw/zinc/66/89/79/823668979.db2.gz UPLLILPQNNSZMH-KRWDZBQOSA-N 1 0 382.552 4.150 20 0 GIADRO FC(F)(F)c1nnc(N2CCC[N@@H+]([C@@H]3CCCc4ccccc43)CC2)s1 ZINC000191306727 823669688 /nfs/dbraw/zinc/66/96/88/823669688.db2.gz ADEDNJXJEOEZDM-OAHLLOKOSA-N 1 0 382.455 4.147 20 0 GIADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2ccc3nc(N(C)C)oc3c2)C1 ZINC000125354552 823670182 /nfs/dbraw/zinc/67/01/82/823670182.db2.gz DNCQFYZFRYJHHK-IRXDYDNUSA-N 1 0 399.539 4.012 20 0 GIADRO COc1ccc([C@@H](O)C[NH2+][C@@H](C)c2cnn(-c3cccc(Cl)c3)c2C)cc1 ZINC000125359380 823670477 /nfs/dbraw/zinc/67/04/77/823670477.db2.gz WUJZFOWEAAPIHW-QKKBWIMNSA-N 1 0 385.895 4.227 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CSCC(=O)OC(C)(C)C)cc1 ZINC000125371022 823671322 /nfs/dbraw/zinc/67/13/22/823671322.db2.gz ZHTBHYVMJDCBTC-MRXNPFEDSA-N 1 0 392.565 4.074 20 0 GIADRO CC[NH+](CC)[C@H](C(=O)NC[C@@H]1C[C@@H](C)O[C@H]1C)c1cccc(C(F)(F)F)c1 ZINC000412656466 823671463 /nfs/dbraw/zinc/67/14/63/823671463.db2.gz PIGZRNXBJHESQJ-OAOQPFQOSA-N 1 0 386.458 4.018 20 0 GIADRO Cn1ncc2c1CCC[C@H]2[NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000125378392 823671683 /nfs/dbraw/zinc/67/16/83/823671683.db2.gz JNORWSDCKNIBMO-LJQANCHMSA-N 1 0 392.469 4.071 20 0 GIADRO C[C@H](c1ccc(F)cc1)N(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000063464424 823673212 /nfs/dbraw/zinc/67/32/12/823673212.db2.gz LEIWUGNWYRHOMM-QUCCMNQESA-N 1 0 383.511 4.440 20 0 GIADRO CN(Cc1ccc(Cl)cc1)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000063464658 823673419 /nfs/dbraw/zinc/67/34/19/823673419.db2.gz MVFWZUISRCCPIK-HXUWFJFHSA-N 1 0 385.939 4.394 20 0 GIADRO CN(C(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1)C1CC[NH2+]CC1 ZINC000125401362 823673564 /nfs/dbraw/zinc/67/35/64/823673564.db2.gz ZGDAIFGXLPPROR-UHFFFAOYSA-N 1 0 397.569 4.292 20 0 GIADRO COc1cc([C@@H](C)[NH2+]C[C@H](O)c2ccc(OC(C)C)cc2)ccc1OC(F)F ZINC000125406017 823673850 /nfs/dbraw/zinc/67/38/50/823673850.db2.gz GVZAXUZDNLKRQW-KDOFPFPSSA-N 1 0 395.446 4.468 20 0 GIADRO COc1cc(C[NH2+][C@H](C)c2cnn(C(C)C)c2C)cc(Br)c1OC ZINC000191354225 823675581 /nfs/dbraw/zinc/67/55/81/823675581.db2.gz MXRYUTQJJNBOKW-GFCCVEGCSA-N 1 0 396.329 4.403 20 0 GIADRO O=C([C@H]1CC[N@@H+](C2CCCCC2)C1)N1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000412703671 823676414 /nfs/dbraw/zinc/67/64/14/823676414.db2.gz AOWORSOFUIMGOE-RBBKRZOGSA-N 1 0 382.548 4.021 20 0 GIADRO Cc1cc(C(=O)C[N@@H+](C)[C@H](C)Cc2ccc(O)cc2)c(C)n1CC(F)(F)F ZINC000125442900 823676492 /nfs/dbraw/zinc/67/64/92/823676492.db2.gz VBXXVPIZMNHOSE-CYBMUJFWSA-N 1 0 382.426 4.119 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1nccc2ccccc21)c1cccc(OC)c1 ZINC000063501941 823676497 /nfs/dbraw/zinc/67/64/97/823676497.db2.gz BNQMKXXSFCBYAM-NRFANRHFSA-N 1 0 377.488 4.056 20 0 GIADRO C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)CC1 ZINC000125444190 823676710 /nfs/dbraw/zinc/67/67/10/823676710.db2.gz WDUGTKVUFKFCNK-MRXNPFEDSA-N 1 0 387.524 4.123 20 0 GIADRO CCC(CC)n1ncc(C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1C ZINC000125463391 823678252 /nfs/dbraw/zinc/67/82/52/823678252.db2.gz STHRIPQPEJTBAV-FQEVSTJZSA-N 1 0 382.552 4.147 20 0 GIADRO CC(C)c1c(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cnn1-c1cccc(Cl)c1 ZINC000461671677 823678652 /nfs/dbraw/zinc/67/86/52/823678652.db2.gz YMPFQBOGVRYVRX-HNNXBMFYSA-N 1 0 390.959 4.355 20 0 GIADRO CC[C@H]1c2ccsc2CCN1C(=O)C[NH+]1CCC(OC2CCCCC2)CC1 ZINC000125501848 823681243 /nfs/dbraw/zinc/68/12/43/823681243.db2.gz VRFQWZXUSMWDLW-FQEVSTJZSA-N 1 0 390.593 4.398 20 0 GIADRO CCCN(CCC[NH+](C)C)C(=O)Nc1ccc(C)c(NC(=O)C(C)(C)C)c1 ZINC000191416263 823682786 /nfs/dbraw/zinc/68/27/86/823682786.db2.gz CCUHQGWWWSESIZ-UHFFFAOYSA-N 1 0 376.545 4.175 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2OC(C)C)cc1 ZINC000063621227 823683868 /nfs/dbraw/zinc/68/38/68/823683868.db2.gz YDRJDQVFQBQVST-UHFFFAOYSA-N 1 0 398.503 4.355 20 0 GIADRO Cc1nc2cc(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)ccc2n1-c1ccccc1 ZINC000461702844 823684107 /nfs/dbraw/zinc/68/41/07/823684107.db2.gz YJVZIIAKJIJMDB-MRXNPFEDSA-N 1 0 378.520 4.040 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CNc2ccccc2Cl)cc1 ZINC000063645472 823686417 /nfs/dbraw/zinc/68/64/17/823686417.db2.gz YFFLVKMEHAYSPK-QGZVFWFLSA-N 1 0 385.939 4.443 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)N[C@H](COC)c2cccc(Cl)c2)CC1 ZINC000461729962 823688582 /nfs/dbraw/zinc/68/85/82/823688582.db2.gz JNSQSSARMZEYGX-HXUWFJFHSA-N 1 0 395.975 4.181 20 0 GIADRO CCCn1ccnc1CCC[N@H+](C)[C@@H](C)C(=O)Nc1cc(Cl)ccc1C ZINC000191479271 823689327 /nfs/dbraw/zinc/68/93/27/823689327.db2.gz CMBIQXCSPAOGAA-INIZCTEOSA-N 1 0 376.932 4.147 20 0 GIADRO C[NH+](C)CCN(CCCc1ccccc1)C(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000063704818 823690035 /nfs/dbraw/zinc/69/00/35/823690035.db2.gz WFRYGJDJWGCDSF-UHFFFAOYSA-N 1 0 396.428 4.481 20 0 GIADRO Clc1ccc(C[NH+]2CCC(N[C@H](c3ncc[nH]3)c3ccccc3)CC2)cc1 ZINC000125615640 823690228 /nfs/dbraw/zinc/69/02/28/823690228.db2.gz ZJLQYOGUQCYKGZ-NRFANRHFSA-N 1 0 380.923 4.407 20 0 GIADRO Cc1nc(C(F)(F)F)sc1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000461744327 823690729 /nfs/dbraw/zinc/69/07/29/823690729.db2.gz GDJNWVBXFKZIMA-CQSZACIVSA-N 1 0 383.439 4.037 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1sc(C(F)(F)F)nc1C)c1ccccc1 ZINC000461745430 823690945 /nfs/dbraw/zinc/69/09/45/823690945.db2.gz JPPAZASMLQCBJQ-AWEZNQCLSA-N 1 0 385.455 4.283 20 0 GIADRO 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CC[C@@H](CNC(=O)NCC1CC[NH+](Cc2cccs2)CC1)CC(F)(F)F ZINC000413199396 823726135 /nfs/dbraw/zinc/72/61/35/823726135.db2.gz JHOWCIFTFDRKCZ-CQSZACIVSA-N 1 0 391.503 4.238 20 0 GIADRO CC[C@@H]([NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1)c1ccncc1 ZINC000163626692 823729325 /nfs/dbraw/zinc/72/93/25/823729325.db2.gz SMJLMUTXCSOIBV-CXAGYDPISA-N 1 0 376.298 4.302 20 0 GIADRO CC[N@H+](C[C@@H](O)Cn1c2ccccc2c2ccccc21)[C@H]1CCOC(C)(C)C1 ZINC000574441555 823730592 /nfs/dbraw/zinc/73/05/92/823730592.db2.gz VVAANZACLFCOLQ-RBUKOAKNSA-N 1 0 380.532 4.435 20 0 GIADRO Cn1cc([C@H]2OCCC[C@@H]2[NH2+]CC(Cc2ccccc2)Cc2ccccc2)cn1 ZINC000574445609 823732499 /nfs/dbraw/zinc/73/24/99/823732499.db2.gz LPUDEEYQMMBOTL-LOSJGSFVSA-N 1 0 389.543 4.331 20 0 GIADRO C[C@@H](CCc1ccco1)NC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000574447784 823733027 /nfs/dbraw/zinc/73/30/27/823733027.db2.gz SKNKGMBPHQVFBX-PZJWPPBQSA-N 1 0 383.536 4.202 20 0 GIADRO C[C@H](SCC1CC[NH2+]CC1)c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3 ZINC000574450351 823733903 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O=C(c1cccc(C[NH+]2CCCC2)c1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000064026912 823736113 /nfs/dbraw/zinc/73/61/13/823736113.db2.gz OBUVRALBUBNWJS-OAQYLSRUSA-N 1 0 384.907 4.150 20 0 GIADRO CCN(CC)C(=O)c1ccccc1NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000064027861 823736769 /nfs/dbraw/zinc/73/67/69/823736769.db2.gz RKPWXJCWGGUZND-UHFFFAOYSA-N 1 0 379.504 4.017 20 0 GIADRO CC(C)c1ccc([C@@H]2CCCCN2C(=O)C(=O)Nc2ccc3nccn3c2)cc1 ZINC000574475700 823740405 /nfs/dbraw/zinc/74/04/05/823740405.db2.gz MEOOOBLELVIOIW-FQEVSTJZSA-N 1 0 390.487 4.150 20 0 GIADRO C[C@@H]([NH2+]CCN(C)c1ccccc1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000125906925 823741183 /nfs/dbraw/zinc/74/11/83/823741183.db2.gz SAZFMDOTXXTFMD-GOSISDBHSA-N 1 0 386.561 4.190 20 0 GIADRO COC1CCN(CC[NH2+][C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)CC1 ZINC000163732969 823742684 /nfs/dbraw/zinc/74/26/84/823742684.db2.gz MOYUBZBQNWRGGN-GOSISDBHSA-N 1 0 389.540 4.027 20 0 GIADRO CC(C)[N@@H+]1CC[C@@H](CNCc2cnc(-c3ccc(Br)cc3)s2)C1 ZINC000574486590 823744560 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GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000163794046 823749223 /nfs/dbraw/zinc/74/92/23/823749223.db2.gz BFZTWIVFDJWRGJ-XZOQPEGZSA-N 1 0 395.547 4.248 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1ccccc1C(F)(F)F ZINC000163806938 823750993 /nfs/dbraw/zinc/75/09/93/823750993.db2.gz KJPVPHLVQWMQRG-AWEZNQCLSA-N 1 0 380.410 4.023 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1cc(Cl)cc(Cl)c1 ZINC000163830710 823752469 /nfs/dbraw/zinc/75/24/69/823752469.db2.gz SXFHURKTSZWMBU-ZDUSSCGKSA-N 1 0 381.303 4.311 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1cc(Cl)cc(Cl)c1 ZINC000163830799 823752680 /nfs/dbraw/zinc/75/26/80/823752680.db2.gz SXFHURKTSZWMBU-CYBMUJFWSA-N 1 0 381.303 4.311 20 0 GIADRO C[C@@H](NC(=O)[C@@H](C)N1CC[NH+](CC2CCCCC2)CC1)c1ccc(Cl)cc1 ZINC000064130148 823752832 /nfs/dbraw/zinc/75/28/32/823752832.db2.gz GYTHIJKJUPQTAW-QZTJIDSGSA-N 1 0 391.987 4.104 20 0 GIADRO CC(=O)Nc1cc(F)c(F)cc1NC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000413336022 823754989 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CCCOc1ccccc1Oc1ncccc1CN[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000163916054 823760373 /nfs/dbraw/zinc/76/03/73/823760373.db2.gz SSHGKEJJEUSLKV-CMKODMSKSA-N 1 0 383.536 4.481 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)Nc2cc(Cl)ccc2O[C@@H](C)COC)CC1 ZINC000191769371 823761592 /nfs/dbraw/zinc/76/15/92/823761592.db2.gz ICHWJZWYMOKEQF-HNNXBMFYSA-N 1 0 397.947 4.092 20 0 GIADRO C[C@H](CNC(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C)CC(F)(F)F ZINC000413381534 823764244 /nfs/dbraw/zinc/76/42/44/823764244.db2.gz KRPAAXXJJGQIRP-JYJNAYRXSA-N 1 0 385.474 4.031 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)N[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000163948543 823764405 /nfs/dbraw/zinc/76/44/05/823764405.db2.gz PRPSJJFBZAJOKX-XZOQPEGZSA-N 1 0 393.531 4.002 20 0 GIADRO C[C@H](C(=O)N1CCC([NH+]2CCCCC2)CC1)c1cccc(Br)c1 ZINC000461939982 823766587 /nfs/dbraw/zinc/76/65/87/823766587.db2.gz ZHQOQIRRNBDWKO-HNNXBMFYSA-N 1 0 379.342 4.030 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2nnc(-c3cc4ccccc4o3)s2)[C@H](C)C1 ZINC000191791084 823768919 /nfs/dbraw/zinc/76/89/19/823768919.db2.gz KNBHDVIEUFGQQZ-UKRRQHHQSA-N 1 0 399.520 4.145 20 0 GIADRO Cc1cc(C[NH2+][C@H]2CCC[C@@H](N3CCCC3=O)C2)ccc1Oc1cccnc1 ZINC000574585523 823772024 /nfs/dbraw/zinc/77/20/24/823772024.db2.gz XTKQWSUTZXEOQZ-VQTJNVASSA-N 1 0 379.504 4.206 20 0 GIADRO C[C@H]([NH2+][C@@H]1CC[C@H](c2ccccc2)C1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000126038512 823772272 /nfs/dbraw/zinc/77/22/72/823772272.db2.gz QFFKYKIWDSRUPP-RBDMOPTHSA-N 1 0 378.516 4.331 20 0 GIADRO C[C@@H]1CN(Cc2cccc(C[NH2+][C@@H](c3ncc[nH]3)C3CCCCC3)c2)CCO1 ZINC000574591415 823773886 /nfs/dbraw/zinc/77/38/86/823773886.db2.gz TXSBZTWRALDCER-XMSQKQJNSA-N 1 0 382.552 4.042 20 0 GIADRO Cc1ccc2[nH]c([C@H]3CCCN3C(=O)NCC(C)(C)[N@@H+]3CCC[C@H](C)C3)nc2c1 ZINC000064227028 823775044 /nfs/dbraw/zinc/77/50/44/823775044.db2.gz KFJOGNXFUQBCBQ-FXAWDEMLSA-N 1 0 397.567 4.228 20 0 GIADRO Cc1ccccc1OC[C@@H](O)C[NH2+]Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000574595275 823775207 /nfs/dbraw/zinc/77/52/07/823775207.db2.gz SPAULUGVCUFBPV-QFIPXVFZSA-N 1 0 395.474 4.243 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)N2CCC[C@@H]2CCc2ccccc2)c1 ZINC000064229781 823775910 /nfs/dbraw/zinc/77/59/10/823775910.db2.gz HOJMPQLLUHNXJW-HSZRJFAPSA-N 1 0 379.548 4.445 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)N2CCC(COc3ccccc3)CC2)c1 ZINC000064229275 823776007 /nfs/dbraw/zinc/77/60/07/823776007.db2.gz GLZFJDSUKRXFBC-UHFFFAOYSA-N 1 0 395.547 4.139 20 0 GIADRO CC(C)[C@@H](C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)c1cccnc1 ZINC000164120212 823779773 /nfs/dbraw/zinc/77/97/73/823779773.db2.gz HXVNBORMFSMCRI-HXUWFJFHSA-N 1 0 385.939 4.369 20 0 GIADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)C1 ZINC000164142775 823780675 /nfs/dbraw/zinc/78/06/75/823780675.db2.gz ZPRKNLNAXHAWEL-RKDXNWHRSA-N 1 0 397.133 4.252 20 0 GIADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3cccc(OCc4cccc(F)c4)c3)CC[C@@H]21 ZINC000164146049 823781169 /nfs/dbraw/zinc/78/11/69/823781169.db2.gz CFCHMABKIRQVKV-GCJKJVERSA-N 1 0 397.494 4.353 20 0 GIADRO Clc1cccc(Cl)c1CC[NH2+][C@@H]1CCCc2c1cnn2-c1ncccn1 ZINC000574622410 823784561 /nfs/dbraw/zinc/78/45/61/823784561.db2.gz CTZQUSNUMAYMOO-QGZVFWFLSA-N 1 0 388.302 4.179 20 0 GIADRO CCCCNc1ccccc1C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000164187039 823784961 /nfs/dbraw/zinc/78/49/61/823784961.db2.gz FHGNZLQACFOPAV-GOSISDBHSA-N 1 0 380.536 4.249 20 0 GIADRO CC[NH+](CC)CCSCC(=O)N[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC000461989538 823785392 /nfs/dbraw/zinc/78/53/92/823785392.db2.gz NOCUTKAHFZKPCF-ZDUSSCGKSA-N 1 0 377.381 4.116 20 0 GIADRO COc1ccc(CC[C@H](C)[NH2+][C@@H](CCSC)c2nnc3ccccn32)cc1 ZINC000164223583 823787597 /nfs/dbraw/zinc/78/75/97/823787597.db2.gz LJZSOSXGZOQDCT-LPHOPBHVSA-N 1 0 384.549 4.143 20 0 GIADRO CCC(CC)(Cc1nc2ccccc2s1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000064299480 823787769 /nfs/dbraw/zinc/78/77/69/823787769.db2.gz OLEBEZWSQBCEEJ-UHFFFAOYSA-N 1 0 385.577 4.199 20 0 GIADRO CCCN(CC[NH+](CC)CC)C(=O)NC[C@H]1CCCO[C@@H]1c1ccc(C)cc1 ZINC000461996218 823788134 /nfs/dbraw/zinc/78/81/34/823788134.db2.gz ULCVJNWQZHGVAL-FGZHOGPDSA-N 1 0 389.584 4.226 20 0 GIADRO c1ccc(CCCc2nnc(N3CCC(C[NH+]4CCCC4)CC3)n2C2CC2)cc1 ZINC000574645074 823789353 /nfs/dbraw/zinc/78/93/53/823789353.db2.gz KGIUFBBBAVULEU-UHFFFAOYSA-N 1 0 393.579 4.101 20 0 GIADRO CCc1nc2cc(C[NH2+][C@@H](C)CC(=O)N3CCCCCC3)ccc2n1C1CC1 ZINC000574654702 823791583 /nfs/dbraw/zinc/79/15/83/823791583.db2.gz HDIPUAGTIHJIPU-KRWDZBQOSA-N 1 0 382.552 4.204 20 0 GIADRO Cc1cccc(N2CC[NH+](CCC(=O)Nc3cc(F)ccc3OC(C)C)CC2)c1 ZINC000462004796 823791815 /nfs/dbraw/zinc/79/18/15/823791815.db2.gz SJFVWZIPQUYGMG-UHFFFAOYSA-N 1 0 399.510 4.072 20 0 GIADRO O=C(NC1CC([NH+]2CCCCC2)C1)N[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000413523817 823791814 /nfs/dbraw/zinc/79/18/14/823791814.db2.gz YRQHXMGJOYFKJG-FVPXHTFXSA-N 1 0 375.944 4.292 20 0 GIADRO CC(C)[C@H]([NH2+][C@H]1CCc2cccc(Br)c2C1)c1nnc2ccccn21 ZINC000574655481 823792166 /nfs/dbraw/zinc/79/21/66/823792166.db2.gz XUYUAXJZANUCRV-KXBFYZLASA-N 1 0 399.336 4.336 20 0 GIADRO CCc1ccccc1NC(=O)C[C@H](C)[NH2+]Cc1nccn1CCc1ccccc1 ZINC000164276207 823792128 /nfs/dbraw/zinc/79/21/28/823792128.db2.gz YAXNDKLLCZIXOI-IBGZPJMESA-N 1 0 390.531 4.195 20 0 GIADRO C[C@H](CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)CC(F)(F)F ZINC000413526034 823792218 /nfs/dbraw/zinc/79/22/18/823792218.db2.gz BAYAQBIVZFZCJQ-DOTOQJQBSA-N 1 0 385.474 4.175 20 0 GIADRO C[C@@H]1CN(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)C[C@@H](c2ccsc2)O1 ZINC000164289653 823793269 /nfs/dbraw/zinc/79/32/69/823793269.db2.gz FWSSPTGIJSTUPQ-QMMLZNLJSA-N 1 0 399.560 4.057 20 0 GIADRO CC[C@H](C)N(Cc1ccccc1)C(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000462010629 823793653 /nfs/dbraw/zinc/79/36/53/823793653.db2.gz OSUBHVUTLFAMEE-NRFANRHFSA-N 1 0 379.548 4.026 20 0 GIADRO CCO[C@@H](CC)C(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000574661769 823793868 /nfs/dbraw/zinc/79/38/68/823793868.db2.gz SQVKUMCKMQGKDS-XDLUSNJSSA-N 1 0 378.944 4.185 20 0 GIADRO CCO[C@H](CC)C(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000574661770 823793973 /nfs/dbraw/zinc/79/39/73/823793973.db2.gz SQVKUMCKMQGKDS-YGDSSSOMSA-N 1 0 378.944 4.185 20 0 GIADRO CCCCN(C(=O)c1cc(-c2ccccn2)no1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000462012687 823794201 /nfs/dbraw/zinc/79/42/01/823794201.db2.gz ZMHIYKDFYGXEPX-UHFFFAOYSA-N 1 0 384.524 4.288 20 0 GIADRO C[C@H]([NH2+][C@H]1COc2ccccc2C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000164340956 823796673 /nfs/dbraw/zinc/79/66/73/823796673.db2.gz DDOMZMJQGDUXHK-QFBILLFUSA-N 1 0 385.529 4.057 20 0 GIADRO C[C@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccccc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000191855736 823796838 /nfs/dbraw/zinc/79/68/38/823796838.db2.gz LUBJUHFOIABFHY-BPXKWBHBSA-N 1 0 379.504 4.399 20 0 GIADRO CC[C@H](C(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1)[NH+](CC)CC ZINC000462019190 823796862 /nfs/dbraw/zinc/79/68/62/823796862.db2.gz XEHBFGDKCCQIOQ-IAGOWNOFSA-N 1 0 391.314 4.153 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccccc1)CC3 ZINC000191856226 823797201 /nfs/dbraw/zinc/79/72/01/823797201.db2.gz CWDNRBDLIQKUGZ-RHGYRFJNSA-N 1 0 376.500 4.401 20 0 GIADRO CC[N@H+](CC(=O)NC(=O)Nc1ccc(OC)cc1)[C@H](C)c1cc2ccccc2o1 ZINC000064349052 823797914 /nfs/dbraw/zinc/79/79/14/823797914.db2.gz IFRZNQFUSRIKPX-OAHLLOKOSA-N 1 0 395.459 4.173 20 0 GIADRO [NH3+][C@H]1CCCCCC[C@@H]1C(=O)Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1 ZINC000164354676 823797927 /nfs/dbraw/zinc/79/79/27/823797927.db2.gz NSRKEROJNNXGAZ-LPHOPBHVSA-N 1 0 399.514 4.047 20 0 GIADRO Cc1cccc(N2CC[NH+](CCC(=O)N[C@@H](C)c3ccc(Cl)s3)CC2)c1 ZINC000462023809 823798681 /nfs/dbraw/zinc/79/86/81/823798681.db2.gz ALIXYUBDAXKCRY-INIZCTEOSA-N 1 0 391.968 4.099 20 0 GIADRO C[C@H](c1cc2ccccc2o1)N(C)C(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000462023262 823798900 /nfs/dbraw/zinc/79/89/00/823798900.db2.gz KBZGVIRJYQUTQW-LJQANCHMSA-N 1 0 391.515 4.165 20 0 GIADRO CC[C@H](Oc1ccccc1F)C(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000413578930 823799923 /nfs/dbraw/zinc/79/99/23/823799923.db2.gz YLASSHOWLHAROC-NRFANRHFSA-N 1 0 384.495 4.106 20 0 GIADRO CC(C)Sc1ccc(Cl)cc1NC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000574683529 823800469 /nfs/dbraw/zinc/80/04/69/823800469.db2.gz PDEDRKYOFNFUGE-OAHLLOKOSA-N 1 0 378.929 4.214 20 0 GIADRO COc1cccc(CSCC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000064374836 823803705 /nfs/dbraw/zinc/80/37/05/823803705.db2.gz UTMOUMMAHJFAJA-UHFFFAOYSA-N 1 0 398.572 4.018 20 0 GIADRO C[NH+](C)CCN(CCCc1ccccc1)C(=O)c1cnc2c(F)ccc(F)c2c1 ZINC000574706653 823804642 /nfs/dbraw/zinc/80/46/42/823804642.db2.gz BPYXXHBJHWLABP-UHFFFAOYSA-N 1 0 397.469 4.150 20 0 GIADRO Cc1cccc2c1OCC[C@H]2NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000191891372 823805415 /nfs/dbraw/zinc/80/54/15/823805415.db2.gz KLRHDKUYOLPSBE-IRFCIJBXSA-N 1 0 385.552 4.115 20 0 GIADRO C[C@@H](C(=O)Nc1ccc(CC[NH+](C)C)cc1)c1cccc(Br)c1 ZINC000462036699 823805829 /nfs/dbraw/zinc/80/58/29/823805829.db2.gz GQKBZINYMCEHEH-CQSZACIVSA-N 1 0 375.310 4.295 20 0 GIADRO COc1ccc(C[NH2+][C@H](C)c2ccc(F)c(Br)c2)c(OC)c1OC ZINC000164529030 823807126 /nfs/dbraw/zinc/80/71/26/823807126.db2.gz LOHQRRYMWFAREI-LLVKDONJSA-N 1 0 398.272 4.465 20 0 GIADRO C[C@H](NC(=O)CC[NH+]1CCN(c2ccccc2)CC1)c1cccc2ccccc21 ZINC000462040285 823807647 /nfs/dbraw/zinc/80/76/47/823807647.db2.gz MOYIOIDULQOYBF-FQEVSTJZSA-N 1 0 387.527 4.229 20 0 GIADRO Cc1cc(NC(=O)C(C)(C)CC(F)F)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000413639257 823807863 /nfs/dbraw/zinc/80/78/63/823807863.db2.gz JLSNZIFYZCLMPI-KRWDZBQOSA-N 1 0 390.478 4.258 20 0 GIADRO C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000462041374 823808341 /nfs/dbraw/zinc/80/83/41/823808341.db2.gz RGHUIISOLXRDRY-IIBYNOLFSA-N 1 0 397.950 4.414 20 0 GIADRO COc1cccc(CN(CC[NH+](C)C)C(=O)Nc2ccc(Cl)cc2F)c1 ZINC000191903984 823808492 /nfs/dbraw/zinc/80/84/92/823808492.db2.gz ZMMUSFZWTITFKE-UHFFFAOYSA-N 1 0 379.863 4.083 20 0 GIADRO COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C[NH+]2CCSCC2)c1 ZINC000126193663 823809802 /nfs/dbraw/zinc/80/98/02/823809802.db2.gz DPTJWTJYQDLBOT-UHFFFAOYSA-N 1 0 395.528 4.105 20 0 GIADRO CC[NH+](CC)CCSCC(=O)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000462045039 823810378 /nfs/dbraw/zinc/81/03/78/823810378.db2.gz AXURLNKWPJRGIT-INIZCTEOSA-N 1 0 377.579 4.035 20 0 GIADRO C[C@@H](C(=O)N1CCC[C@H]1c1cccs1)[NH+]1CCC(N(C)c2ccccc2)CC1 ZINC000126203188 823811113 /nfs/dbraw/zinc/81/11/13/823811113.db2.gz AWJMLBZNEPWKQL-RXVVDRJESA-N 1 0 397.588 4.401 20 0 GIADRO COc1cccc(C[N@@H+](Cc2ccc(-n3cccn3)cc2)C[C@@H]2CCCO2)c1 ZINC000064400343 823812257 /nfs/dbraw/zinc/81/22/57/823812257.db2.gz PEARVDAWXOJPKB-QHCPKHFHSA-N 1 0 377.488 4.062 20 0 GIADRO CN(C(=O)N[C@@H](c1c(Cl)cccc1Cl)C1CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000462050837 823812632 /nfs/dbraw/zinc/81/26/32/823812632.db2.gz BVMLIJAMVNZKCE-RDTXWAMCSA-N 1 0 382.335 4.323 20 0 GIADRO COC(=O)CCC1CC[NH+](Cc2cc(Br)cc3cccnc32)CC1 ZINC000164633365 823813553 /nfs/dbraw/zinc/81/35/53/823813553.db2.gz SMAUEERHJBVZQJ-UHFFFAOYSA-N 1 0 391.309 4.163 20 0 GIADRO CC[NH+](CC)CCSCC(=O)Nc1nc(-c2ccc(OC)cc2)c(C)s1 ZINC000462055491 823814780 /nfs/dbraw/zinc/81/47/80/823814780.db2.gz XSRSSILDLVPQOH-UHFFFAOYSA-N 1 0 393.578 4.141 20 0 GIADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)Nc2ccc3nc(Cc4ccccc4)oc3c2)C1 ZINC000574739645 823815161 /nfs/dbraw/zinc/81/51/61/823815161.db2.gz WLGIQOLTEQNYKN-DLBZAZTESA-N 1 0 378.476 4.058 20 0 GIADRO Fc1cc(OCC[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)ccc1Cl ZINC000191933529 823815346 /nfs/dbraw/zinc/81/53/46/823815346.db2.gz BSKIZDAVCPOUIQ-HNNXBMFYSA-N 1 0 392.906 4.055 20 0 GIADRO O=C(NCc1ccnc(Oc2ccccc2F)c1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000574742941 823816286 /nfs/dbraw/zinc/81/62/86/823816286.db2.gz AOJQKXVGNNGLMG-LJQANCHMSA-N 1 0 383.467 4.036 20 0 GIADRO Cc1cccc(N2CC[NH+](CCC(=O)N[C@@H](C)c3cc4ccccc4o3)CC2)c1 ZINC000462060573 823816292 /nfs/dbraw/zinc/81/62/92/823816292.db2.gz RXFNZHVXUKNKNC-IBGZPJMESA-N 1 0 391.515 4.131 20 0 GIADRO O[C@@H]1CCC[C@H]1[NH+]1CCC(N[C@@H]2CCCOc3c(Cl)c(Cl)ccc32)CC1 ZINC000574743936 823816426 /nfs/dbraw/zinc/81/64/26/823816426.db2.gz HAWKVTQBDIIUHC-KZNAEPCWSA-N 1 0 399.362 4.175 20 0 GIADRO COc1ccc(CN(C)C(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(Cl)cc2)cc1OC ZINC000126236245 823817920 /nfs/dbraw/zinc/81/79/20/823817920.db2.gz ZVSUHUFVRWPCME-HUUCEWRRSA-N 1 0 390.911 4.055 20 0 GIADRO CC(C)n1cc([C@@H](C)[NH2+][C@H]2CCN(c3ccc(Br)cc3)C2)cn1 ZINC000164759309 823818760 /nfs/dbraw/zinc/81/87/60/823818760.db2.gz ZWEMERHIWAENPU-PBHICJAKSA-N 1 0 377.330 4.156 20 0 GIADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000413694713 823819096 /nfs/dbraw/zinc/81/90/96/823819096.db2.gz DZXLJVDLZLGWTQ-BPAFIMBUSA-N 1 0 377.960 4.348 20 0 GIADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000064441768 823819620 /nfs/dbraw/zinc/81/96/20/823819620.db2.gz XCPKBOKBENKLKP-QGZVFWFLSA-N 1 0 399.510 4.318 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)NCc3ccccc3OC3CCC3)ccc21 ZINC000574769832 823821641 /nfs/dbraw/zinc/82/16/41/823821641.db2.gz WKQRHKGNVLEVOJ-NRFANRHFSA-N 1 0 379.504 4.489 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC[C@@H]3CCO[C@@H]3c3ccccc3)ccc21 ZINC000574769697 823821832 /nfs/dbraw/zinc/82/18/32/823821832.db2.gz MSPPMMMZBXEGSH-VLCRHTCISA-N 1 0 379.504 4.135 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)CCc1c(C)noc1Cl)c1ccccc1Cl ZINC000064458470 823822894 /nfs/dbraw/zinc/82/28/94/823822894.db2.gz IKZFDYQFAVTQJZ-KRWDZBQOSA-N 1 0 398.334 4.422 20 0 GIADRO CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3cc4cc(OC)ccc4o3)ccc2NC1=O ZINC000126262104 823823674 /nfs/dbraw/zinc/82/36/74/823823674.db2.gz JXCWNSFFDPIFSW-DJJJIMSYSA-N 1 0 380.444 4.402 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)/C=C/c1ccccc1 ZINC000064470647 823825179 /nfs/dbraw/zinc/82/51/79/823825179.db2.gz MMZFMMZVMBPQFK-JLHYYAGUSA-N 1 0 376.422 4.309 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](CO)Cc1ccccc1Br)c1nccc2ccccc21 ZINC000574795280 823829005 /nfs/dbraw/zinc/82/90/05/823829005.db2.gz NLYAMWINHUIJQR-CVEARBPZSA-N 1 0 399.332 4.499 20 0 GIADRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)c2ccc3c(c2)COC3)cc1 ZINC000064487630 823829019 /nfs/dbraw/zinc/82/90/19/823829019.db2.gz JUSXGHIHCFVIRW-UHFFFAOYSA-N 1 0 386.495 4.375 20 0 GIADRO C[C@@H](CNC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1)CC(F)(F)F ZINC000413739237 823829095 /nfs/dbraw/zinc/82/90/95/823829095.db2.gz BEWMYKWWHLBQBX-CVEARBPZSA-N 1 0 377.495 4.261 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1cnn(-c2ccccc2Cl)c1 ZINC000064488096 823829178 /nfs/dbraw/zinc/82/91/78/823829178.db2.gz HLAUVFBKPURDCR-UHFFFAOYSA-N 1 0 394.906 4.052 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)cc1 ZINC000165036754 823831027 /nfs/dbraw/zinc/83/10/27/823831027.db2.gz ADNLGVAIOUGUGH-QGZVFWFLSA-N 1 0 378.472 4.459 20 0 GIADRO CCC[NH+]1CCC(N[C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)CC1 ZINC000462111934 823831174 /nfs/dbraw/zinc/83/11/74/823831174.db2.gz NFQUAQPDNICFTE-QFIPXVFZSA-N 1 0 380.511 4.381 20 0 GIADRO C[C@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000165062502 823832591 /nfs/dbraw/zinc/83/25/91/823832591.db2.gz DEYPJZVEIWLTIM-XMSQKQJNSA-N 1 0 398.522 4.056 20 0 GIADRO CC[C@@H](Cc1ccc(C)cc1)[NH2+]Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000462117388 823833719 /nfs/dbraw/zinc/83/37/19/823833719.db2.gz LUFHAFHMYRZQFC-FQEVSTJZSA-N 1 0 393.556 4.492 20 0 GIADRO CCO[C@H](C(=O)Nc1ccccc1N1CCC(C[NH+](C)C)CC1)c1ccccc1 ZINC000413754528 823834576 /nfs/dbraw/zinc/83/45/76/823834576.db2.gz HAUBEDXWKASMQI-QHCPKHFHSA-N 1 0 395.547 4.181 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)c2cccc(Br)c2F)[NH+]2CCCC2)o1 ZINC000192014775 823835104 /nfs/dbraw/zinc/83/51/04/823835104.db2.gz OKRBIUPUXOQOTM-OAHLLOKOSA-N 1 0 395.272 4.057 20 0 GIADRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1nc(Cl)ccc1Cl ZINC000064521916 823835239 /nfs/dbraw/zinc/83/52/39/823835239.db2.gz DIOJNIABJDRWTG-LBPRGKRZSA-N 1 0 384.332 4.092 20 0 GIADRO O=C(CCc1c[nH]c2ccccc12)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000064522097 823835866 /nfs/dbraw/zinc/83/58/66/823835866.db2.gz QKVIDIFPVKJLJL-KRWDZBQOSA-N 1 0 381.545 4.190 20 0 GIADRO COc1ccc(C[NH2+]C2CCN(C(=O)c3ccco3)CC2)cc1OC1CCCC1 ZINC000165157186 823836542 /nfs/dbraw/zinc/83/65/42/823836542.db2.gz VUTZKKKUWBEEHL-UHFFFAOYSA-N 1 0 398.503 4.004 20 0 GIADRO COCCN1CCC([NH2+]Cc2ccccc2COc2ccccc2Cl)CC1 ZINC000462124501 823837074 /nfs/dbraw/zinc/83/70/74/823837074.db2.gz VLOVMLJFWRBLKW-UHFFFAOYSA-N 1 0 388.939 4.119 20 0 GIADRO COc1ccc(NC(=O)C[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)cc2)cc1Cl ZINC000192031464 823837750 /nfs/dbraw/zinc/83/77/50/823837750.db2.gz BNTVTQBOKRJGRB-QFBILLFUSA-N 1 0 395.286 4.060 20 0 GIADRO CC(C)C(C[NH2+][C@@H](CN1CCC(C(N)=O)CC1)c1ccc(Cl)cc1)C(C)C ZINC000574834905 823837912 /nfs/dbraw/zinc/83/79/12/823837912.db2.gz SRNFUBQWDOSRNM-NRFANRHFSA-N 1 0 394.003 4.096 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cc1Cl ZINC000165177525 823837880 /nfs/dbraw/zinc/83/78/80/823837880.db2.gz AESSRISMBCCHEY-CQSZACIVSA-N 1 0 378.875 4.175 20 0 GIADRO COc1ccc2oc([C@@H](C)NC(=O)N(CC[NH+](C)C)Cc3ccco3)c(C)c2c1 ZINC000126316242 823838019 /nfs/dbraw/zinc/83/80/19/823838019.db2.gz GSFBMIHEPLZGLL-MRXNPFEDSA-N 1 0 399.491 4.177 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)N2CCc3ccccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000574836731 823838148 /nfs/dbraw/zinc/83/81/48/823838148.db2.gz YIXBYUCVYWQIQB-AUSIDOKSSA-N 1 0 377.532 4.150 20 0 GIADRO O=C(C[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1)Nc1cc(Cl)ccc1F ZINC000192032718 823838491 /nfs/dbraw/zinc/83/84/91/823838491.db2.gz CSRGMFDQJSYSET-MAUKXSAKSA-N 1 0 383.250 4.191 20 0 GIADRO CN(Cc1ccc(Cl)s1)C(=O)C[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000192034014 823838802 /nfs/dbraw/zinc/83/88/02/823838802.db2.gz XXDQHELHYRAPSK-CRAIPNDOSA-N 1 0 399.343 4.133 20 0 GIADRO COc1ccc2c(c1F)CC[C@@H]2[NH2+]C1CCN(C(=O)CCc2ccccc2)CC1 ZINC000574839694 823839144 /nfs/dbraw/zinc/83/91/44/823839144.db2.gz LOCQOECWPCICTL-NRFANRHFSA-N 1 0 396.506 4.035 20 0 GIADRO Cc1ccc([C@H](CNc2cnn(C(C)(C)C)c(=O)c2Cl)[NH+]2CCCC2)cc1 ZINC000064538671 823839655 /nfs/dbraw/zinc/83/96/55/823839655.db2.gz SQKAAZZLVYJGCD-SFHVURJKSA-N 1 0 388.943 4.209 20 0 GIADRO CC(C)c1cccc(S(=O)(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000462135609 823840734 /nfs/dbraw/zinc/84/07/34/823840734.db2.gz DELDOIMMNCXMSJ-UHFFFAOYSA-N 1 0 386.561 4.095 20 0 GIADRO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000192040014 823840949 /nfs/dbraw/zinc/84/09/49/823840949.db2.gz WDRWOPQNHPVCPZ-XWRIVVANSA-N 1 0 390.886 4.118 20 0 GIADRO C[C@H](CC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(F)c(Br)c1 ZINC000462136492 823840908 /nfs/dbraw/zinc/84/09/08/823840908.db2.gz CNDGFSYVVQLQCA-UMVBOHGHSA-N 1 0 385.321 4.023 20 0 GIADRO CC[C@@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1nccs1 ZINC000126332606 823842373 /nfs/dbraw/zinc/84/23/73/823842373.db2.gz KSDBIOHWVIHANR-XVLXNVKGSA-N 1 0 384.549 4.089 20 0 GIADRO O=C(CN1CC[NH+](CC2CC2)CC1)Nc1ccc(Oc2cccc(Cl)c2)cc1 ZINC000064557415 823843501 /nfs/dbraw/zinc/84/35/01/823843501.db2.gz SEZURUSZCDYNTN-UHFFFAOYSA-N 1 0 399.922 4.098 20 0 GIADRO COc1ccc([C@@H](CNC(=O)Nc2ccc3cnccc3c2)[NH+]2CCCC2)cc1 ZINC000574852204 823843566 /nfs/dbraw/zinc/84/35/66/823843566.db2.gz FWKYRAYNPWKOHY-JOCHJYFZSA-N 1 0 390.487 4.202 20 0 GIADRO C[C@H](NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1cnn(Cc2ccccc2)c1 ZINC000165330578 823843657 /nfs/dbraw/zinc/84/36/57/823843657.db2.gz ZEZXGAGIVZCJPD-URXFXBBRSA-N 1 0 388.559 4.147 20 0 GIADRO CC(C)[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000462146237 823844341 /nfs/dbraw/zinc/84/43/41/823844341.db2.gz MOUREJSZSBWFHC-FQEVSTJZSA-N 1 0 378.944 4.078 20 0 GIADRO C[C@H](NC1CC[NH+](CCc2ccccc2)CC1)c1noc(Cc2ccccc2)n1 ZINC000165373996 823846140 /nfs/dbraw/zinc/84/61/40/823846140.db2.gz YSYRVLRYWSLXGC-IBGZPJMESA-N 1 0 390.531 4.018 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)C(=O)Nc1cc(F)ccc1F ZINC000192059387 823847271 /nfs/dbraw/zinc/84/72/71/823847271.db2.gz ZWLLVPPSURXTQH-LIXBPZJASA-N 1 0 380.822 4.065 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1Br)c1ccc(NC(N)=O)cc1 ZINC000165416863 823848252 /nfs/dbraw/zinc/84/82/52/823848252.db2.gz NJFIXVJVDFVVAS-MNOVXSKESA-N 1 0 380.261 4.491 20 0 GIADRO CC(C)(C)[N@@H+]1CCc2nc(NC(=O)c3c[nH]nc3-c3ccsc3)sc2C1 ZINC000574871031 823848867 /nfs/dbraw/zinc/84/88/67/823848867.db2.gz MPLAUMGBIVQFCJ-UHFFFAOYSA-N 1 0 387.534 4.004 20 0 GIADRO CC(C)OC1CCC(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000126361733 823849036 /nfs/dbraw/zinc/84/90/36/823849036.db2.gz LYGVDVKDNNARRS-LBDAMEBMSA-N 1 0 399.579 4.217 20 0 GIADRO C[C@H](NC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)c1noc(Cc2ccccc2)n1 ZINC000165445842 823849247 /nfs/dbraw/zinc/84/92/47/823849247.db2.gz LAYQXDWYUGGDQC-BBTUJRGHSA-N 1 0 382.552 4.354 20 0 GIADRO COCCSc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)cc1 ZINC000165452690 823849374 /nfs/dbraw/zinc/84/93/74/823849374.db2.gz SDIIYZBKYHYZQD-DLBZAZTESA-N 1 0 382.533 4.418 20 0 GIADRO COc1cccc(OC)c1Oc1ccc(C[NH2+][C@@H](C)CC2CCOCC2)cn1 ZINC000165445960 823849513 /nfs/dbraw/zinc/84/95/13/823849513.db2.gz XNSNVXWKVGULLD-INIZCTEOSA-N 1 0 386.492 4.186 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)NCc1ccc2sccc2c1 ZINC000462163502 823850188 /nfs/dbraw/zinc/85/01/88/823850188.db2.gz JWCNCYDWPMJUDE-UHFFFAOYSA-N 1 0 385.508 4.314 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(Oc2cccnc2)cc1 ZINC000462168398 823851639 /nfs/dbraw/zinc/85/16/39/823851639.db2.gz XYVCSHPERQBLNK-MBSDFSHPSA-N 1 0 387.483 4.124 20 0 GIADRO CC[C@@H](C)n1ncc(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c1C ZINC000574890814 823853247 /nfs/dbraw/zinc/85/32/47/823853247.db2.gz WOQHXJQBCFXKBM-NQIIRXRSSA-N 1 0 382.552 4.195 20 0 GIADRO CC(C)n1cc([C@H](C)[NH2+]Cc2ccc(OCCOc3ccccc3)nc2)cn1 ZINC000165551774 823853770 /nfs/dbraw/zinc/85/37/70/823853770.db2.gz FYAHFXCMCBSNAS-SFHVURJKSA-N 1 0 380.492 4.168 20 0 GIADRO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000574892539 823853786 /nfs/dbraw/zinc/85/37/86/823853786.db2.gz ITKCIWNDIAKYME-JPYJTQIMSA-N 1 0 394.515 4.270 20 0 GIADRO CC(=O)c1ccc(NC(=O)CC[NH+]2CCC(Oc3cc(C)ccc3C)CC2)cc1 ZINC000064631630 823854590 /nfs/dbraw/zinc/85/45/90/823854590.db2.gz TVYTVYRBHILCPT-UHFFFAOYSA-N 1 0 394.515 4.378 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Nc1ccc2oc(N(C)C)nc2c1 ZINC000165612635 823855276 /nfs/dbraw/zinc/85/52/76/823855276.db2.gz VGNNIRXFHZIQOF-UHFFFAOYSA-N 1 0 395.507 4.009 20 0 GIADRO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC1(CCO)CCCCC1 ZINC000165623151 823855903 /nfs/dbraw/zinc/85/59/03/823855903.db2.gz PHZDNXDXYVRWHN-HNNXBMFYSA-N 1 0 386.458 4.345 20 0 GIADRO Fc1cc(C[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c2c(c1)COCO2 ZINC000192089334 823856635 /nfs/dbraw/zinc/85/66/35/823856635.db2.gz LSKMBRIJKHMTSY-PKOBYXMFSA-N 1 0 381.806 4.105 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)c1cncc(F)c1)c1ccccc1OCC(=O)N1CCCC1 ZINC000165657874 823856864 /nfs/dbraw/zinc/85/68/64/823856864.db2.gz NQDBWRAYQJZSRP-JXFKEZNVSA-N 1 0 385.483 4.024 20 0 GIADRO C[C@@H](NC(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1)c1ccc(Oc2cccnc2)cc1 ZINC000574902422 823857413 /nfs/dbraw/zinc/85/74/13/823857413.db2.gz UQDVOHPQGJPRHU-QZTJIDSGSA-N 1 0 394.519 4.061 20 0 GIADRO COc1ccc(C[NH2+][C@@H](Cc2ccccn2)c2ccc(Br)cc2)cn1 ZINC000126400821 823857620 /nfs/dbraw/zinc/85/76/20/823857620.db2.gz LXPWUWVJYZEZRZ-IBGZPJMESA-N 1 0 398.304 4.321 20 0 GIADRO COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCCc3ccccc32)c(OC)c1 ZINC000126400695 823857774 /nfs/dbraw/zinc/85/77/74/823857774.db2.gz SYLORZMFQFNUEZ-WMZOPIPTSA-N 1 0 382.504 4.131 20 0 GIADRO Cc1c(Cl)cccc1NC(=O)C[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000192092146 823857885 /nfs/dbraw/zinc/85/78/85/823857885.db2.gz NVSNACNDHRNZTQ-PKOBYXMFSA-N 1 0 397.277 4.499 20 0 GIADRO Fc1cc([C@H]2OCC[C@@H]2[NH2+]CCOCC(F)(F)C(F)(F)F)ccc1Cl ZINC000192097330 823858824 /nfs/dbraw/zinc/85/88/24/823858824.db2.gz IZORUFXALDWHAN-QWHCGFSZSA-N 1 0 391.739 4.113 20 0 GIADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2C[C@H]2c2cccc(Br)c2)C1 ZINC000064657202 823858938 /nfs/dbraw/zinc/85/89/38/823858938.db2.gz OVIYEMBYMSGIEF-JLSDUUJJSA-N 1 0 393.369 4.179 20 0 GIADRO CC[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1)c1ccccc1OCC(=O)N(C)C ZINC000165691799 823859434 /nfs/dbraw/zinc/85/94/34/823859434.db2.gz YTWGKFOPONJQML-IFXJQAMLSA-N 1 0 376.447 4.234 20 0 GIADRO C[C@H](NC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1)c1cccc(F)c1F ZINC000165691710 823859460 /nfs/dbraw/zinc/85/94/60/823859460.db2.gz PAUNSKHLDWODIK-DLBZAZTESA-N 1 0 379.495 4.179 20 0 GIADRO Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000192102852 823860485 /nfs/dbraw/zinc/86/04/85/823860485.db2.gz RXIVMGZGPYUYCO-VQIMIIECSA-N 1 0 397.277 4.499 20 0 GIADRO CSc1ccc(NC(=O)C[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000192103182 823860639 /nfs/dbraw/zinc/86/06/39/823860639.db2.gz GLAXCOQUAIAKEX-HKUYNNGSSA-N 1 0 394.899 4.259 20 0 GIADRO CC[C@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1)CC(F)(F)F ZINC000413895672 823861678 /nfs/dbraw/zinc/86/16/78/823861678.db2.gz ASHJIOLIBHOARP-ZDUSSCGKSA-N 1 0 395.416 4.017 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)Cc2c[nH]c3cc(Cl)ccc23)c(F)c1 ZINC000413899013 823862251 /nfs/dbraw/zinc/86/22/51/823862251.db2.gz IFERAAUEPBUPKT-UHFFFAOYSA-N 1 0 389.858 4.082 20 0 GIADRO Cc1ccc(SCCC(=O)Nc2ccc(OCC[NH+](C)C)cc2F)cc1 ZINC000413897435 823862282 /nfs/dbraw/zinc/86/22/82/823862282.db2.gz DSLVVPMRFIYYJL-UHFFFAOYSA-N 1 0 376.497 4.195 20 0 GIADRO COc1ccc([C@H](CO)[N@H+](C)Cc2cn(C)nc2-c2cc3ccccc3o2)cc1 ZINC000126422687 823862882 /nfs/dbraw/zinc/86/28/82/823862882.db2.gz LRUFLXFRSSNLKU-FQEVSTJZSA-N 1 0 391.471 4.007 20 0 GIADRO C[C@@H](CSc1ccc(F)cc1)C(=O)Nc1ccc(OCC[NH+](C)C)cc1F ZINC000413902857 823863121 /nfs/dbraw/zinc/86/31/21/823863121.db2.gz PLNCOKJKHDIDST-AWEZNQCLSA-N 1 0 394.487 4.272 20 0 GIADRO C[C@H]([NH2+]CC(=O)N(C)Cc1ccccc1)c1ccc(Oc2cccnc2)cc1 ZINC000574940677 823865928 /nfs/dbraw/zinc/86/59/28/823865928.db2.gz SFMZSDXHQLFEKG-SFHVURJKSA-N 1 0 375.472 4.183 20 0 GIADRO COC[C@H]([NH2+][C@@H](C)c1sc(Cc2ccc(OC)c(OC)c2)nc1C)C(C)C ZINC000165941363 823866245 /nfs/dbraw/zinc/86/62/45/823866245.db2.gz UYSXFRHQDWSWQJ-YOEHRIQHSA-N 1 0 392.565 4.381 20 0 GIADRO CC[C@@H](C(=O)Nc1cc(OC)cc(OC)c1Cl)[N@H+](C)Cc1ccccc1 ZINC000413927760 823867907 /nfs/dbraw/zinc/86/79/07/823867907.db2.gz CNFZAJVNWFHGAF-KRWDZBQOSA-N 1 0 376.884 4.206 20 0 GIADRO CC[C@H](C(=O)Nc1cc(OC)cc(OC)c1Cl)[N@H+](C)Cc1ccccc1 ZINC000413927761 823868049 /nfs/dbraw/zinc/86/80/49/823868049.db2.gz CNFZAJVNWFHGAF-QGZVFWFLSA-N 1 0 376.884 4.206 20 0 GIADRO CC(=O)N(c1nc(CN2CCC[C@H]([NH+]3CCCC3)CC2)cs1)c1ccccc1 ZINC000165995189 823868073 /nfs/dbraw/zinc/86/80/73/823868073.db2.gz YVQNMIVAZIZUKJ-FQEVSTJZSA-N 1 0 398.576 4.278 20 0 GIADRO Cc1nc(C(F)(F)F)sc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000462202273 823868420 /nfs/dbraw/zinc/86/84/20/823868420.db2.gz GLPIVFYYAITAGN-WFASDCNBSA-N 1 0 397.466 4.253 20 0 GIADRO CCC(CC)C(=O)N1CCC([NH2+][C@@H](CC)c2ccc(OC)c(OC)c2)CC1 ZINC000166054335 823868938 /nfs/dbraw/zinc/86/89/38/823868938.db2.gz MAMRAKNRCWVXTE-IBGZPJMESA-N 1 0 376.541 4.172 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CC[C@@H](C)c2ccc(OC)cc2)cc1 ZINC000166101398 823869985 /nfs/dbraw/zinc/86/99/85/823869985.db2.gz ODJZHXJRYQGMFK-SJORKVTESA-N 1 0 390.549 4.301 20 0 GIADRO CC(=O)N(c1nc(CN(C)CC[C@@H]2CCCC[N@@H+]2C)cs1)c1ccccc1 ZINC000166113342 823870021 /nfs/dbraw/zinc/87/00/21/823870021.db2.gz SBWHUTISFSQMQI-IBGZPJMESA-N 1 0 386.565 4.134 20 0 GIADRO C[NH+](C)Cc1ccc(NC(=O)C2(c3cccc(Cl)c3)CCOCC2)c(F)c1 ZINC000413934253 823870272 /nfs/dbraw/zinc/87/02/72/823870272.db2.gz AEDSINANBCGRIW-UHFFFAOYSA-N 1 0 390.886 4.228 20 0 GIADRO C[NH+](C)CCc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2OC(F)(F)F)cc1 ZINC000126451014 823871295 /nfs/dbraw/zinc/87/12/95/823871295.db2.gz CQYABUMREPBLSR-ZWKOTPCHSA-N 1 0 392.421 4.432 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)c1ccc(F)c(Br)c1 ZINC000462209050 823872250 /nfs/dbraw/zinc/87/22/50/823872250.db2.gz NPJRNBXUVYKDAN-BMFZPTHFSA-N 1 0 397.332 4.167 20 0 GIADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)Cc2csc(-c3ccccc3)n2)C1 ZINC000064725611 823872508 /nfs/dbraw/zinc/87/25/08/823872508.db2.gz TXLBLMRMUIJOSY-QKLQHJQFSA-N 1 0 383.561 4.216 20 0 GIADRO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c(Cl)c1 ZINC000192134085 823872862 /nfs/dbraw/zinc/87/28/62/823872862.db2.gz MUEOEWFCIBMCOW-YXKWSERDSA-N 1 0 394.849 4.373 20 0 GIADRO Fc1ccc(-n2cc(C[NH2+][C@@H]3c4ccccc4CC34CCOCC4)cn2)cc1 ZINC000574964453 823874008 /nfs/dbraw/zinc/87/40/08/823874008.db2.gz IXNPEXWQDWKUGM-JOCHJYFZSA-N 1 0 377.463 4.195 20 0 GIADRO CCc1c(C(=O)N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)cnn1-c1ccc(F)cc1 ZINC000064735596 823875240 /nfs/dbraw/zinc/87/52/40/823875240.db2.gz DEPIIAGDTGIOKJ-QKLQHJQFSA-N 1 0 398.526 4.051 20 0 GIADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)CCc2ccccc2Br)C1 ZINC000064735938 823875717 /nfs/dbraw/zinc/87/57/17/823875717.db2.gz OUKPISKLFZNPOZ-SOLBZPMBSA-N 1 0 393.369 4.246 20 0 GIADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2cccnc2SC(F)(F)F)C1 ZINC000064736118 823875835 /nfs/dbraw/zinc/87/58/35/823875835.db2.gz CJIALVRNBNRUIO-MJBXVCDLSA-N 1 0 387.471 4.171 20 0 GIADRO COCCOc1ccc(C[NH+]2CCC(OC3CCCCC3)CC2)cc1OC ZINC000126473137 823877439 /nfs/dbraw/zinc/87/74/39/823877439.db2.gz GCAJZUJRCUKHJY-UHFFFAOYSA-N 1 0 377.525 4.034 20 0 GIADRO CC(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc(N3CCCC3)c2)c1 ZINC000126472882 823877514 /nfs/dbraw/zinc/87/75/14/823877514.db2.gz HOKUGZUYTCLRTC-DLBZAZTESA-N 1 0 379.504 4.167 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+][C@H]1CCCN(c2cnn(C)c2)C1 ZINC000166602093 823879600 /nfs/dbraw/zinc/87/96/00/823879600.db2.gz QKZVPEVFLPAAIF-YJBOKZPZSA-N 1 0 381.549 4.172 20 0 GIADRO Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+][C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000166574794 823879638 /nfs/dbraw/zinc/87/96/38/823879638.db2.gz LVZAXMNDOMQRLR-VQIMIIECSA-N 1 0 395.576 4.095 20 0 GIADRO COc1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@@H]2c4ccccc4C[C@@H]2O)CCC3)cc1 ZINC000166614551 823880053 /nfs/dbraw/zinc/88/00/53/823880053.db2.gz XSRYLSJYDUBGSB-SESVDKBCSA-N 1 0 392.524 4.444 20 0 GIADRO O=C(NC[C@H](Cc1ccccc1)C(F)(F)F)N1CC[NH+](C2CCCCC2)CC1 ZINC000462226323 823881869 /nfs/dbraw/zinc/88/18/69/823881869.db2.gz JEZUZXFZJACUBM-SFHVURJKSA-N 1 0 397.485 4.068 20 0 GIADRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)C[C@H](c1ncc[nH]1)c1ccccc1 ZINC000574997666 823882945 /nfs/dbraw/zinc/88/29/45/823882945.db2.gz GVMKVBFAAXGRRC-FQEVSTJZSA-N 1 0 382.552 4.093 20 0 GIADRO O=C([C@H]1CC[N@H+](Cc2ccccc2)C1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000575000122 823884026 /nfs/dbraw/zinc/88/40/26/823884026.db2.gz VKXMKJYDCQDQNL-NRFANRHFSA-N 1 0 385.511 4.306 20 0 GIADRO C[C@@H](c1ccccc1F)N1CCC[C@H](NCc2coc(-c3ccccc3)n2)C1=O ZINC000575006374 823885084 /nfs/dbraw/zinc/88/50/84/823885084.db2.gz YQSLPQSMZQXMJO-KKSFZXQISA-N 1 0 393.462 4.323 20 0 GIADRO Cc1nc(C(F)(F)F)sc1C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000462231843 823884994 /nfs/dbraw/zinc/88/49/94/823884994.db2.gz GMZYEWNKVACFLX-UHFFFAOYSA-N 1 0 389.487 4.199 20 0 GIADRO Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]C1CCN(C(=O)c3ccco3)CC1)CCCO2 ZINC000126507447 823886614 /nfs/dbraw/zinc/88/66/14/823886614.db2.gz DEWOEXPDNRDUJG-SFHVURJKSA-N 1 0 388.895 4.350 20 0 GIADRO CCOCCOc1cc(C)ccc1C[NH2+][C@H]1CCCOc2ccc(OC)cc21 ZINC000167138072 823887202 /nfs/dbraw/zinc/88/72/02/823887202.db2.gz GZJVCKKNLUUPEY-NRFANRHFSA-N 1 0 385.504 4.422 20 0 GIADRO O=C(c1cccnc1Nc1ccccc1F)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000126509974 823887612 /nfs/dbraw/zinc/88/76/12/823887612.db2.gz YITOYNQPDBGSCM-IIBYNOLFSA-N 1 0 394.494 4.053 20 0 GIADRO Clc1ccc([C@H](C[NH2+]CC2=CCCOC2)N2CCc3sccc3C2)cc1 ZINC000126512620 823888130 /nfs/dbraw/zinc/88/81/30/823888130.db2.gz AQTNQGLRJHYZEL-FQEVSTJZSA-N 1 0 388.964 4.437 20 0 GIADRO Cc1ccsc1CNC(=O)C[NH+]1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000575013506 823888195 /nfs/dbraw/zinc/88/81/95/823888195.db2.gz QNNPRJLJPFMJIH-UHFFFAOYSA-N 1 0 385.508 4.173 20 0 GIADRO CC[C@H]([NH2+]Cc1ccc(C)cc1OC[C@H]1CCOC1)c1ccc2c(c1)OCCO2 ZINC000167180047 823888311 /nfs/dbraw/zinc/88/83/11/823888311.db2.gz OIHDYYRRXYNNKA-RXVVDRJESA-N 1 0 397.515 4.422 20 0 GIADRO O=C(c1ccco1)N1CCC([NH2+]Cc2ccc(Br)c(Cl)c2)CC1 ZINC000192165624 823888463 /nfs/dbraw/zinc/88/84/63/823888463.db2.gz XARJCTMHROGPAK-UHFFFAOYSA-N 1 0 397.700 4.090 20 0 GIADRO Cc1ccc(C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)c(OCC(F)(F)F)c1 ZINC000167319399 823890427 /nfs/dbraw/zinc/89/04/27/823890427.db2.gz MKUVTMHTUHWKHD-OAHLLOKOSA-N 1 0 390.409 4.368 20 0 GIADRO CCCN(CC[NH+]1CCCCCC1)C(=O)Nc1cn(-c2ccccc2)nc1C ZINC000575021969 823890515 /nfs/dbraw/zinc/89/05/15/823890515.db2.gz TUTWNNBHLQJUDM-UHFFFAOYSA-N 1 0 383.540 4.301 20 0 GIADRO CCc1cc(O)ccc1NC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000192172171 823890588 /nfs/dbraw/zinc/89/05/88/823890588.db2.gz GHVZBEGNXJUBLQ-UHFFFAOYSA-N 1 0 385.533 4.190 20 0 GIADRO O=C(Nc1ccc(Cl)cn1)C1CC[NH+](C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000575025896 823891852 /nfs/dbraw/zinc/89/18/52/823891852.db2.gz DKQKOOVHVFXLRH-OWOJBTEDSA-N 1 0 391.849 4.377 20 0 GIADRO CCN(CC[NH2+][C@H](C)c1ccc(OC)cc1Br)CCC(F)(F)F ZINC000575027240 823892310 /nfs/dbraw/zinc/89/23/10/823892310.db2.gz XCNUEMAYBXQYBD-GFCCVEGCSA-N 1 0 397.279 4.383 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]Cc1ccc(-n2ccnc2)cc1C ZINC000192178468 823893103 /nfs/dbraw/zinc/89/31/03/823893103.db2.gz IVMCTASIOCCUQY-AWEZNQCLSA-N 1 0 391.441 4.407 20 0 GIADRO Cc1n[nH]cc1C[NH2+][C@@H]1CCCc2c(Br)cc(Br)cc21 ZINC000575031429 823894110 /nfs/dbraw/zinc/89/41/10/823894110.db2.gz LOIRELXQVTYMKK-OAHLLOKOSA-N 1 0 399.130 4.410 20 0 GIADRO CCCOc1cc(C)ccc1C[NH2+][C@H](C)c1ccc(NS(=O)(=O)CC)cc1 ZINC000167678758 823894132 /nfs/dbraw/zinc/89/41/32/823894132.db2.gz HWIHVVGKTYNBNA-QGZVFWFLSA-N 1 0 390.549 4.396 20 0 GIADRO CCCOc1cc(C)ccc1C[NH2+][C@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000167677044 823894302 /nfs/dbraw/zinc/89/43/02/823894302.db2.gz YYTRSEOXGNASMY-MRXNPFEDSA-N 1 0 376.522 4.006 20 0 GIADRO CCN(C(=O)c1ccc(C)c(NC(C)=O)c1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000126545891 823895390 /nfs/dbraw/zinc/89/53/90/823895390.db2.gz BZYAPFJNUWBEMN-AVRDEDQJSA-N 1 0 393.531 4.251 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CCC(O)CC1)CC2 ZINC000167787002 823895368 /nfs/dbraw/zinc/89/53/68/823895368.db2.gz VLZRZWHHVVZZSZ-OYHNWAKOSA-N 1 0 384.495 4.134 20 0 GIADRO CC(C)n1ncc2cc(C[NH2+]C[C@@H](c3ccco3)N3CCCC3)c(Cl)nc21 ZINC000126547753 823895797 /nfs/dbraw/zinc/89/57/97/823895797.db2.gz NLPSREWGYUCNJZ-KRWDZBQOSA-N 1 0 387.915 4.185 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CCC(O)CC1)c1cc(F)cc(F)c1 ZINC000167810002 823895854 /nfs/dbraw/zinc/89/58/54/823895854.db2.gz VZMXZPAZLNUHFG-KGLIPLIRSA-N 1 0 378.438 4.477 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CCC(O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000167825956 823896447 /nfs/dbraw/zinc/89/64/47/823896447.db2.gz COWGHIVFUILJFD-GJZGRUSLSA-N 1 0 387.455 4.107 20 0 GIADRO C[C@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)c1ccccc1-n1cccn1 ZINC000126551625 823896633 /nfs/dbraw/zinc/89/66/33/823896633.db2.gz BCKCGTCNXZJMNA-SFHVURJKSA-N 1 0 395.551 4.030 20 0 GIADRO CC(C)n1ncc2ccc(NC(=O)N[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C)cc21 ZINC000462247969 823896765 /nfs/dbraw/zinc/89/67/65/823896765.db2.gz PXBKVXXRLGJDCQ-LAUBAEHRSA-N 1 0 391.519 4.259 20 0 GIADRO CSCC[C@H]([NH2+][C@H]1C[C@H](OC(C)(C)C)C1(C)C)c1nnc2ccccn21 ZINC000414061951 823898367 /nfs/dbraw/zinc/89/83/67/823898367.db2.gz KTFMMUAQXAPGJN-JYJNAYRXSA-N 1 0 376.570 4.095 20 0 GIADRO COc1cc([C@@H](C)[NH2+]Cc2ccc(OC(F)F)c(F)c2)cc(OC)c1OC ZINC000168060216 823899639 /nfs/dbraw/zinc/89/96/39/823899639.db2.gz ILMAVXGLSNYNRD-LLVKDONJSA-N 1 0 385.382 4.304 20 0 GIADRO COCc1cc(Cl)ccc1NC(=O)N[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000575049985 823899815 /nfs/dbraw/zinc/89/98/15/823899815.db2.gz WEZLPPLIJQAWDJ-NRFANRHFSA-N 1 0 387.911 4.273 20 0 GIADRO CCCS(=O)(=O)N1CCC([NH2+][C@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000414065827 823899879 /nfs/dbraw/zinc/89/98/79/823899879.db2.gz OYYYDUYMDRDHLF-XLIONFOSSA-N 1 0 399.000 4.160 20 0 GIADRO CS(=O)(=O)Cc1ccc(C[NH2+][C@H]2CC[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000414065881 823899938 /nfs/dbraw/zinc/89/99/38/823899938.db2.gz HMKJCEWCMZXYIE-ICSRJNTNSA-N 1 0 377.937 4.311 20 0 GIADRO COc1ccc(C[C@H]([NH2+][C@@H](C)c2cc3n(n2)CCC3)c2ccccc2)cc1OC ZINC000414068728 823900208 /nfs/dbraw/zinc/90/02/08/823900208.db2.gz IRIFHMSYDUYLOG-JTSKRJEESA-N 1 0 391.515 4.481 20 0 GIADRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](c1ccccc1)c1cccc(Br)c1)CC2 ZINC000414067013 823900244 /nfs/dbraw/zinc/90/02/44/823900244.db2.gz HOEACGYONQBUBL-UYAOXDASSA-N 1 0 397.320 4.043 20 0 GIADRO O=C(NC[C@@H](Cc1ccccc1)C(F)(F)F)NC1CC[NH+](C2CCCC2)CC1 ZINC000575051873 823900197 /nfs/dbraw/zinc/90/01/97/823900197.db2.gz JATDSBAWXUQGNE-QGZVFWFLSA-N 1 0 397.485 4.114 20 0 GIADRO COc1cccc(Oc2ccc(C[NH2+][C@@H](C)Cc3ccc(OC)nc3)cn2)c1 ZINC000414067598 823900497 /nfs/dbraw/zinc/90/04/97/823900497.db2.gz JDGLHYCQZNMJAA-INIZCTEOSA-N 1 0 379.460 4.007 20 0 GIADRO Fc1cc(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)ccc1OC(F)F ZINC000168140253 823900624 /nfs/dbraw/zinc/90/06/24/823900624.db2.gz SZNRYQDBBIBQAO-LJQANCHMSA-N 1 0 379.378 4.439 20 0 GIADRO CN1CCC[C@H](C[NH2+]C[C@@H](O)Cc2ccc3ccccc3c2)[C@@H]1c1cccs1 ZINC000575053506 823900695 /nfs/dbraw/zinc/90/06/95/823900695.db2.gz ODPLAAZJQLOHNJ-AOHZBQACSA-N 1 0 394.584 4.477 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCN(c2ncccc2F)C1)c1ccc(F)cc1Br ZINC000168148266 823900883 /nfs/dbraw/zinc/90/08/83/823900883.db2.gz PYIPRWUEFKHEIZ-DGCLKSJQSA-N 1 0 382.252 4.052 20 0 GIADRO CC(C)c1nn(Cc2ccccc2)c(Cl)c1C[NH2+]CCCc1cnn(C)c1 ZINC000168223080 823901225 /nfs/dbraw/zinc/90/12/25/823901225.db2.gz YVYMTGYBLRKRPY-UHFFFAOYSA-N 1 0 385.943 4.164 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(OCC(=O)NC3CC3)cc2)c(C)c1 ZINC000414070978 823901413 /nfs/dbraw/zinc/90/14/13/823901413.db2.gz LMWUTQHJBQBJGP-IRXDYDNUSA-N 1 0 382.504 4.073 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(OCC(=O)NC3CC3)cc2)c(C)c1 ZINC000414070972 823901579 /nfs/dbraw/zinc/90/15/79/823901579.db2.gz LMWUTQHJBQBJGP-IAGOWNOFSA-N 1 0 382.504 4.073 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCCC2)c1)c1ccc(NS(C)(=O)=O)cc1 ZINC000168361133 823902669 /nfs/dbraw/zinc/90/26/69/823902669.db2.gz WKFNXPJHCGXOHP-SJORKVTESA-N 1 0 387.549 4.070 20 0 GIADRO OC1(c2cccnc2)CCC([NH2+]Cc2ccc(Br)c(Cl)c2)CC1 ZINC000192209157 823902926 /nfs/dbraw/zinc/90/29/26/823902926.db2.gz ZETPLTFLMHJXFE-UHFFFAOYSA-N 1 0 395.728 4.418 20 0 GIADRO COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N[C@H](C)CCCC[NH3+])cc1 ZINC000575068426 823903919 /nfs/dbraw/zinc/90/39/19/823903919.db2.gz MOFRNLMUNNBQKW-QGZVFWFLSA-N 1 0 393.531 4.410 20 0 GIADRO COc1cc(C[NH2+][C@H]2CCCOc3c(Cl)cc(C)cc32)ccc1OCCO ZINC000126578146 823904098 /nfs/dbraw/zinc/90/40/98/823904098.db2.gz OTBRUQDXASBYCO-SFHVURJKSA-N 1 0 391.895 4.032 20 0 GIADRO Cc1nc(CN2CCC(C[NH2+][C@H]3C[C@@H](OC(C)(C)C)C3(C)C)CC2)oc1C ZINC000414081959 823904922 /nfs/dbraw/zinc/90/49/22/823904922.db2.gz FHPGKWXASBPRLK-RBUKOAKNSA-N 1 0 377.573 4.075 20 0 GIADRO O=C(CC[NH2+]C[C@H](c1ccco1)N1CCCC1)Nc1cccc(C(F)(F)F)c1 ZINC000575074093 823904918 /nfs/dbraw/zinc/90/49/18/823904918.db2.gz VPUBICPBINYINE-QGZVFWFLSA-N 1 0 395.425 4.054 20 0 GIADRO COc1cc([C@H](C)[NH2+]Cc2cc(C)ccc2OC(F)F)cc(OC)c1OC ZINC000168611456 823905141 /nfs/dbraw/zinc/90/51/41/823905141.db2.gz FHKVFFIOJKGEJY-ZDUSSCGKSA-N 1 0 381.419 4.473 20 0 GIADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H](C)c1cccc(O)c1 ZINC000126584503 823905491 /nfs/dbraw/zinc/90/54/91/823905491.db2.gz TYUPEADWXOSELA-CHWSQXEVSA-N 1 0 377.282 4.223 20 0 GIADRO COc1ccc(CC[NH2+]Cc2nc3cc(Cl)ccc3n2C)c(Cl)c1OC ZINC000575075334 823905484 /nfs/dbraw/zinc/90/54/84/823905484.db2.gz AEMNGXOZSYPRAM-UHFFFAOYSA-N 1 0 394.302 4.230 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=S)Nc2ccc(OC(F)F)cc2)C1 ZINC000064894614 823907077 /nfs/dbraw/zinc/90/70/77/823907077.db2.gz MSRYANAYOGMJBF-RHSMWYFYSA-N 1 0 391.487 4.410 20 0 GIADRO COc1cc(C[NH2+]C2(C)CCC2)ccc1OCC(=O)Nc1ccccc1Cl ZINC000169048472 823907994 /nfs/dbraw/zinc/90/79/94/823907994.db2.gz QMSQFKPJRDOMQE-UHFFFAOYSA-N 1 0 388.895 4.398 20 0 GIADRO Clc1ccc2c(c1Cl)OCCC[C@H]2[NH2+]CCc1nnc2n1CCCCC2 ZINC000126604039 823908887 /nfs/dbraw/zinc/90/88/87/823908887.db2.gz JKZLLMJCGDWQOD-OAHLLOKOSA-N 1 0 395.334 4.357 20 0 GIADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1cc(-c2ccccn2)ccc1Cl ZINC000169229650 823909839 /nfs/dbraw/zinc/90/98/39/823909839.db2.gz OLQBMKHESYXPOL-IBGZPJMESA-N 1 0 393.918 4.305 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1)c1ccco1 ZINC000575094211 823910622 /nfs/dbraw/zinc/91/06/22/823910622.db2.gz UGXBJEAWVJOVBY-ICSRJNTNSA-N 1 0 387.499 4.076 20 0 GIADRO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000414106171 823911380 /nfs/dbraw/zinc/91/13/80/823911380.db2.gz QQZWWNQMDHIFDS-WRWLIDTKSA-N 1 0 381.907 4.364 20 0 GIADRO O=C(c1cccs1)c1ccccc1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000126615872 823912014 /nfs/dbraw/zinc/91/20/14/823912014.db2.gz QRYMEDTWKVPKJE-OXQOHEQNSA-N 1 0 394.540 4.068 20 0 GIADRO C[C@@H]([NH2+][C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1)[C@H]1C[C@H]1C ZINC000414117066 823913537 /nfs/dbraw/zinc/91/35/37/823913537.db2.gz RQFMWOCUHWHWHP-NSMLZSOPSA-N 1 0 377.937 4.467 20 0 GIADRO C[S@@](=O)C1(C[NH2+][C@H](c2ccccc2)c2cccc(Br)c2)CC1 ZINC000414124362 823914825 /nfs/dbraw/zinc/91/48/25/823914825.db2.gz CEGRKJYBVAUICT-VGOFRKELSA-N 1 0 378.335 4.039 20 0 GIADRO C[C@@H]([NH2+]CCc1cccc(Br)c1)c1ccc(C(=O)N(C)C)cc1 ZINC000414125095 823914985 /nfs/dbraw/zinc/91/49/85/823914985.db2.gz LYNOJBWFYBBMPG-CQSZACIVSA-N 1 0 375.310 4.044 20 0 GIADRO CCOC(=O)c1csc(CC[NH2+][C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)n1 ZINC000414126542 823914999 /nfs/dbraw/zinc/91/49/99/823914999.db2.gz DVOSADQZIWXECI-GDBMZVCRSA-N 1 0 378.925 4.442 20 0 GIADRO Cc1c([C@@H](C)[NH2+]CCc2cn(C)cn2)cnn1-c1ccc(Cl)cc1Cl ZINC000414127970 823915448 /nfs/dbraw/zinc/91/54/48/823915448.db2.gz QZKCVOQRVHBVQH-GFCCVEGCSA-N 1 0 378.307 4.114 20 0 GIADRO CC(C)(C)C[C@@H]([NH2+]Cc1cc(C(N)=O)co1)c1ccc(Br)cc1 ZINC000414128590 823915718 /nfs/dbraw/zinc/91/57/18/823915718.db2.gz HGLAJKYIYOCHOK-MRXNPFEDSA-N 1 0 379.298 4.408 20 0 GIADRO CCCCNC(=O)c1ccc(C[NH2+]Cc2c[nH]nc2-c2ccc(C)cc2)cc1 ZINC000126636823 823916834 /nfs/dbraw/zinc/91/68/34/823916834.db2.gz VQVXPFVDTRKPLQ-UHFFFAOYSA-N 1 0 376.504 4.205 20 0 GIADRO C[C@@H]([NH2+]C1CCC(CS(C)(=O)=O)CC1)c1csc(-c2ccccc2)n1 ZINC000414133433 823916995 /nfs/dbraw/zinc/91/69/95/823916995.db2.gz GSGNXZCTZKSASM-HPUBIQBYSA-N 1 0 378.563 4.064 20 0 GIADRO CCO[C@H]1C[C@@H]([NH2+][C@H](C)c2sc(Cc3ccc(OC)c(OC)c3)nc2C)C1 ZINC000414137050 823917078 /nfs/dbraw/zinc/91/70/78/823917078.db2.gz GCKFPENMPBVCCV-XYPHTWIQSA-N 1 0 390.549 4.278 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H]1C[C@H]1c1ccccc1Cl ZINC000126638637 823917346 /nfs/dbraw/zinc/91/73/46/823917346.db2.gz QWENPFOCBYNYAP-PMACEKPBSA-N 1 0 383.923 4.214 20 0 GIADRO Cc1cc(C[NH2+][C@@H](C)c2cccc(N3CCOCC3)c2)ccc1Br ZINC000414141665 823917800 /nfs/dbraw/zinc/91/78/00/823917800.db2.gz JZVMPCZABNGCDJ-INIZCTEOSA-N 1 0 389.337 4.445 20 0 GIADRO CC(C)Oc1cccc(C[NH2+]Cc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)c1 ZINC000126646456 823918747 /nfs/dbraw/zinc/91/87/47/823918747.db2.gz CEWWRRGHKLMOPB-OALUTQOASA-N 1 0 396.531 4.013 20 0 GIADRO COc1cc(F)c(C[N@H+](Cc2ccc(F)cc2)C2CCOCC2)cc1OC ZINC000575129552 823918801 /nfs/dbraw/zinc/91/88/01/823918801.db2.gz TZHXYPIRSTZMQW-UHFFFAOYSA-N 1 0 377.431 4.163 20 0 GIADRO Fc1cc(C[NH2+][C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)cnc1N1CCOCC1 ZINC000414149861 823919069 /nfs/dbraw/zinc/91/90/69/823919069.db2.gz XVGSMSANTDRTBI-IEBWSBKVSA-N 1 0 389.902 4.137 20 0 GIADRO COc1ccc([C@H](C)[NH2+]C2CCN(Cc3ccc(NC(C)=O)cc3)CC2)c(C)c1 ZINC000414156426 823920223 /nfs/dbraw/zinc/92/02/23/823920223.db2.gz WMSDLEVTEREAIP-SFHVURJKSA-N 1 0 395.547 4.277 20 0 GIADRO COc1ccc([C@H](CO)C[NH2+][C@H](Cc2cccnc2)c2ccc(Cl)cc2)cc1 ZINC000414169191 823922078 /nfs/dbraw/zinc/92/20/78/823922078.db2.gz ATYZPWTYMVQZMC-NZQKXSOJSA-N 1 0 396.918 4.393 20 0 GIADRO CC[C@H](C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccc(F)cc1 ZINC000126665402 823922129 /nfs/dbraw/zinc/92/21/29/823922129.db2.gz LQHREXJUKCHKBX-QFIPXVFZSA-N 1 0 384.495 4.162 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1cc(Cl)sc1Cl ZINC000126664226 823922443 /nfs/dbraw/zinc/92/24/43/823922443.db2.gz WQSHYRCTLZCXTM-UHFFFAOYSA-N 1 0 384.332 4.439 20 0 GIADRO COc1ccc([C@H](CO)C[NH2+][C@H](C)c2ccc(Br)cc2F)cc1 ZINC000414172538 823922897 /nfs/dbraw/zinc/92/28/97/823922897.db2.gz FKXDFDLFHMGJEI-OCCSQVGLSA-N 1 0 382.273 4.024 20 0 GIADRO Clc1ccc([C@H]([NH2+]CC2(N3CCOCC3)CCOCC2)C2CCCC2)cc1 ZINC000414180771 823923877 /nfs/dbraw/zinc/92/38/77/823923877.db2.gz LPRZCTBSLSNXQM-OAQYLSRUSA-N 1 0 392.971 4.042 20 0 GIADRO FC(F)(F)c1ccn(-c2ccc(C[NH2+]Cc3ccc(-n4cccn4)cc3)cc2)n1 ZINC000065014536 823924150 /nfs/dbraw/zinc/92/41/50/823924150.db2.gz FLTZMGYGACWVAH-UHFFFAOYSA-N 1 0 397.404 4.367 20 0 GIADRO Cc1nc(C(F)(F)F)sc1C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000462324407 823924964 /nfs/dbraw/zinc/92/49/64/823924964.db2.gz YATQOIZCOREYNR-LBPRGKRZSA-N 1 0 385.411 4.108 20 0 GIADRO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@@H](C)c1ccn(C)n1 ZINC000414192755 823925318 /nfs/dbraw/zinc/92/53/18/823925318.db2.gz SYJLVMAIKNRGRJ-MNOVXSKESA-N 1 0 388.821 4.160 20 0 GIADRO C[C@H]([NH2+]C[C@H]1CNC(=O)C1)c1ccc(Oc2ccc(Br)cc2)cc1 ZINC000414191930 823925578 /nfs/dbraw/zinc/92/55/78/823925578.db2.gz LPESVQDOBABTDN-KBPBESRZSA-N 1 0 389.293 4.028 20 0 GIADRO C[C@@H]([NH2+][C@H]1c2sccc2OC(C)(C)[C@@H]1O)c1cccc(Br)c1 ZINC000414194819 823925799 /nfs/dbraw/zinc/92/57/99/823925799.db2.gz WZBIZUNIUMRJTC-FUEDEBDSSA-N 1 0 382.323 4.434 20 0 GIADRO Cc1cc(C)c(S(=O)(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c(C)c1 ZINC000462328377 823926254 /nfs/dbraw/zinc/92/62/54/823926254.db2.gz TVJQMPVASCPAJA-HKUYNNGSSA-N 1 0 392.590 4.035 20 0 GIADRO Cc1ccc(-c2nc(CN3CC[C@@H](CNC(=O)OC(C)(C)C)C3)cs2)cc1 ZINC000170648238 823926294 /nfs/dbraw/zinc/92/62/94/823926294.db2.gz IFFIFDFQUANRKN-INIZCTEOSA-N 1 0 387.549 4.465 20 0 GIADRO CC[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1sc(Cc2ccc(OC)c(OC)c2)nc1C ZINC000414200868 823927636 /nfs/dbraw/zinc/92/76/36/823927636.db2.gz DOIIUJVXFJNGJB-XKQJLSEDSA-N 1 0 390.549 4.278 20 0 GIADRO COc1ccc([C@H](CO)C[NH2+][C@H](c2ccc(Br)s2)C2CC2)cc1 ZINC000414201181 823927651 /nfs/dbraw/zinc/92/76/51/823927651.db2.gz YFYJSBFBJPZNAV-KSSFIOAISA-N 1 0 396.350 4.336 20 0 GIADRO CC[C@@H](C)n1ncc(C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1C1CC1 ZINC000126690098 823927687 /nfs/dbraw/zinc/92/76/87/823927687.db2.gz ZHRRGGQQTGOSEM-QUCCMNQESA-N 1 0 394.563 4.326 20 0 GIADRO Cc1ccc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c2ccccc12 ZINC000414207498 823928582 /nfs/dbraw/zinc/92/85/82/823928582.db2.gz HEBXXAUPNYQPSI-QGZVFWFLSA-N 1 0 382.529 4.249 20 0 GIADRO C[C@H](Cc1ccccc1)n1cccc1-c1nc([C@H]2C[N@@H+]3CCC[C@@]3(C)CO2)no1 ZINC000575162921 823928630 /nfs/dbraw/zinc/92/86/30/823928630.db2.gz OXCCFRNKKHWIEB-LLBVYWAGSA-N 1 0 392.503 4.268 20 0 GIADRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c2ccccc12 ZINC000414207494 823928616 /nfs/dbraw/zinc/92/86/16/823928616.db2.gz HEBXXAUPNYQPSI-KRWDZBQOSA-N 1 0 382.529 4.249 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)C2CCC(F)(F)CC2)c1 ZINC000414206020 823928785 /nfs/dbraw/zinc/92/87/85/823928785.db2.gz DWSBWEPKILRIFL-LBPRGKRZSA-N 1 0 379.900 4.437 20 0 GIADRO CN(C(=O)c1sc2ccccc2c1Cl)C1CC[NH+](C2CCOCC2)CC1 ZINC000065039595 823928804 /nfs/dbraw/zinc/92/88/04/823928804.db2.gz JACQERITCLKTSG-UHFFFAOYSA-N 1 0 392.952 4.270 20 0 GIADRO CC[C@H](C)[C@H]1CN(CCCc2ccncc2)CC[N@@H+]1CCCc1ccncc1 ZINC000462335087 823928978 /nfs/dbraw/zinc/92/89/78/823928978.db2.gz SOHUHOJWBMMKTO-XUZZJYLKSA-N 1 0 380.580 4.074 20 0 GIADRO Fc1ccc([C@H](Cc2ccccc2Br)[NH2+]CCc2cn[nH]c2)cc1 ZINC000575167260 823929735 /nfs/dbraw/zinc/92/97/35/823929735.db2.gz XHQCZQZKYRPYEA-IBGZPJMESA-N 1 0 388.284 4.427 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCC(c2ccncc2)CC1 ZINC000192279208 823930606 /nfs/dbraw/zinc/93/06/06/823930606.db2.gz XZRBPYHKHGZSHP-UHFFFAOYSA-N 1 0 380.536 4.013 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H](C)c2ccc3c(c2)CCC3)c1 ZINC000414213750 823930773 /nfs/dbraw/zinc/93/07/73/823930773.db2.gz UKBMAVOJUHNYHH-CQSZACIVSA-N 1 0 377.937 4.473 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H]2CCCc3c(O)cccc32)c1 ZINC000414215585 823931546 /nfs/dbraw/zinc/93/15/46/823931546.db2.gz XVFDSMQOYKWQQP-GOSISDBHSA-N 1 0 379.909 4.006 20 0 GIADRO CCc1ccc([C@H]([NH2+][C@@H]2CS[C@@H](C)C2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000414220637 823932557 /nfs/dbraw/zinc/93/25/57/823932557.db2.gz CGTOVLJDIFLPBD-ZRCAFCQKSA-N 1 0 389.586 4.226 20 0 GIADRO CC[C@@H]([NH2+]Cc1cnccc1C(C)(C)C)c1ccccc1OCC(=O)N(C)C ZINC000414221622 823932664 /nfs/dbraw/zinc/93/26/64/823932664.db2.gz DJYDFIFLINTGPG-HXUWFJFHSA-N 1 0 383.536 4.087 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCC1)N[C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000170676714 823934477 /nfs/dbraw/zinc/93/44/77/823934477.db2.gz KPFHONZKDVVCGF-PKTZIBPZSA-N 1 0 393.531 4.002 20 0 GIADRO CCOc1cccc2cc([C@H](C)[NH2+]C[C@@H]3CCO[C@H]3c3cnn(CC)c3)oc21 ZINC000414239558 823937152 /nfs/dbraw/zinc/93/71/52/823937152.db2.gz DBBZKYGEECGUFH-HZUJVAHNSA-N 1 0 383.492 4.476 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+]C/C(C)=C/c2ccccc2C(F)(F)F)[C@H]1n1cccn1 ZINC000575199819 823937413 /nfs/dbraw/zinc/93/74/13/823937413.db2.gz HPSKWVROPKLPCI-ZDNDTSDDSA-N 1 0 379.426 4.314 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@@H](C)[C@@H]2C[C@H]2c2ccc(Cl)s2)cn1 ZINC000414242180 823937998 /nfs/dbraw/zinc/93/79/98/823937998.db2.gz HIKASRCRQFFIAD-RMVLQADPSA-N 1 0 379.957 4.477 20 0 GIADRO CN1CCN(C(=O)Nc2ccccc2CC(F)(F)F)[C@@H](c2ccccc2)C1 ZINC000575203243 823938198 /nfs/dbraw/zinc/93/81/98/823938198.db2.gz SHMWLMFAAMKJMC-GOSISDBHSA-N 1 0 377.410 4.312 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@@H]2CCCOc3c(C)cc(Cl)cc32)cn1 ZINC000414244514 823938724 /nfs/dbraw/zinc/93/87/24/823938724.db2.gz LGMAHQIMXLPYBQ-NYSBEXSLSA-N 1 0 389.927 4.446 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@@H](c2cccnc2)c2ccc(F)cc2F)cn1 ZINC000414246427 823939784 /nfs/dbraw/zinc/93/97/84/823939784.db2.gz NIYQSKBBUOMWOI-WQTXXOFMSA-N 1 0 398.457 4.033 20 0 GIADRO O=C(C[NH+]1CCCCCCC1)Nc1ccc(NC(=O)c2ccoc2Cl)cc1 ZINC000192303389 823940334 /nfs/dbraw/zinc/94/03/34/823940334.db2.gz BASZUMWNYRJOKI-UHFFFAOYSA-N 1 0 389.883 4.390 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@H](C)Cc2cccc(C(F)(F)F)c2)cn1 ZINC000414259652 823944367 /nfs/dbraw/zinc/94/43/67/823944367.db2.gz YGHIOBNVUSXYGE-SIXWZSSISA-N 1 0 381.442 4.220 20 0 GIADRO Cc1cccnc1C(C)(C)C[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000575221090 823944433 /nfs/dbraw/zinc/94/44/33/823944433.db2.gz BWAGTKQHTIBADH-UHFFFAOYSA-N 1 0 375.310 4.155 20 0 GIADRO Cc1ccc(Br)c(C[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)c1 ZINC000414260864 823944588 /nfs/dbraw/zinc/94/45/88/823944588.db2.gz NDXPDZPRBBTPOQ-OXJNMPFZSA-N 1 0 388.353 4.153 20 0 GIADRO C[C@@H]([NH2+]CCC(C)(C)S(C)(=O)=O)c1ccc(Oc2ccccc2)c(F)c1 ZINC000414262975 823945039 /nfs/dbraw/zinc/94/50/39/823945039.db2.gz OSXOZPVUPGFHGN-OAHLLOKOSA-N 1 0 379.497 4.482 20 0 GIADRO CCN(CC)C(=O)c1ccc(C[NH2+]Cc2cn(-c3cccc(F)c3)nc2C)cc1 ZINC000414263409 823945153 /nfs/dbraw/zinc/94/51/53/823945153.db2.gz JLDZRRRQOBEUIH-UHFFFAOYSA-N 1 0 394.494 4.092 20 0 GIADRO O=C(c1ccc2[nH]c3c(c2c1)CCCC3)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000126765902 823945563 /nfs/dbraw/zinc/94/55/63/823945563.db2.gz HGZCIXWJGSTWCP-GAJHUEQPSA-N 1 0 377.532 4.136 20 0 GIADRO CC(C)CN(CC[NH+](C)C)C(=O)Nc1cc(NC(=O)OC(C)(C)C)ccc1F ZINC000126765365 823945774 /nfs/dbraw/zinc/94/57/74/823945774.db2.gz ZQVHVSYAUBBWTN-UHFFFAOYSA-N 1 0 396.507 4.224 20 0 GIADRO COc1ccc([C@@H]2CCCC[C@H]2[NH2+]Cc2nccc(C(F)(F)F)n2)cc1F ZINC000414270000 823948113 /nfs/dbraw/zinc/94/81/13/823948113.db2.gz YHJXXAIRRSBUEY-DZGCQCFKSA-N 1 0 383.389 4.459 20 0 GIADRO Cc1nn(-c2cccc(F)c2)cc1C[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000414273430 823948813 /nfs/dbraw/zinc/94/88/13/823948813.db2.gz SUXFITBEVRWTSK-UHFFFAOYSA-N 1 0 387.842 4.034 20 0 GIADRO CC(C)(CC[NH2+][C@H](c1ccc(F)cc1)c1ccc(Cl)cc1)S(C)(=O)=O ZINC000414273635 823948897 /nfs/dbraw/zinc/94/88/97/823948897.db2.gz ZHKZATGFIIXKJV-SFHVURJKSA-N 1 0 383.916 4.371 20 0 GIADRO CC(C)(CC[NH2+][C@@H](Cc1ccccc1Cl)c1ccsc1)S(C)(=O)=O ZINC000414273801 823949303 /nfs/dbraw/zinc/94/93/03/823949303.db2.gz ZWFHWJBMAKIPDI-KRWDZBQOSA-N 1 0 385.982 4.488 20 0 GIADRO CN(C(=O)c1cc(-c2ccccc2)on1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000126779280 823949562 /nfs/dbraw/zinc/94/95/62/823949562.db2.gz DFQGVCZAELLYIT-UHFFFAOYSA-N 1 0 391.471 4.093 20 0 GIADRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cnn(-c2ccccc2)c1C(C)C ZINC000192334592 823949931 /nfs/dbraw/zinc/94/99/31/823949931.db2.gz MLSHDNLQCPUZBC-IEBWSBKVSA-N 1 0 381.524 4.086 20 0 GIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccc(OCC(F)(F)F)cc2)C1 ZINC000065140458 823950714 /nfs/dbraw/zinc/95/07/14/823950714.db2.gz BZQLABQFNFMGPV-YJBOKZPZSA-N 1 0 392.421 4.193 20 0 GIADRO Cc1nc(-c2ccc([C@@H](C)[NH2+]Cc3ccc(S(C)(=O)=O)s3)cc2)cs1 ZINC000414283250 823950943 /nfs/dbraw/zinc/95/09/43/823950943.db2.gz OVNWPQZTLQLEJK-GFCCVEGCSA-N 1 0 392.571 4.434 20 0 GIADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)Nc2cnn(-c3ccccc3)c2C(C)C)C1 ZINC000192338160 823951574 /nfs/dbraw/zinc/95/15/74/823951574.db2.gz MPSBWXNOQKZQJW-GOSISDBHSA-N 1 0 383.540 4.095 20 0 GIADRO CC(C)[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)c1ccc(Cl)cc1 ZINC000414287194 823951906 /nfs/dbraw/zinc/95/19/06/823951906.db2.gz UESCSEOKDFNKDA-QGZVFWFLSA-N 1 0 387.332 4.128 20 0 GIADRO CC(C)[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)c1ccc(Cl)cc1 ZINC000414287193 823952152 /nfs/dbraw/zinc/95/21/52/823952152.db2.gz UESCSEOKDFNKDA-KRWDZBQOSA-N 1 0 387.332 4.128 20 0 GIADRO COc1ccccc1-c1nc(C2CC[NH+](CCc3ccc(C)cc3)CC2)no1 ZINC000192343061 823954009 /nfs/dbraw/zinc/95/40/09/823954009.db2.gz MHYAJIHJFXDGFB-UHFFFAOYSA-N 1 0 377.488 4.476 20 0 GIADRO COc1ccccc1N1CCC([NH2+]Cc2cn(-c3cccc(F)c3)nc2C)CC1 ZINC000414322997 823958428 /nfs/dbraw/zinc/95/84/28/823958428.db2.gz UDMYCUPDIDDTLT-UHFFFAOYSA-N 1 0 394.494 4.087 20 0 GIADRO Cc1nn(-c2cccc(F)c2)cc1C[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000414327470 823958740 /nfs/dbraw/zinc/95/87/40/823958740.db2.gz YPQGVAKGOFASMF-UHFFFAOYSA-N 1 0 397.469 4.297 20 0 GIADRO CS(=O)(=O)CC1(C[NH2+][C@@H]2CCCOc3c(Cl)c(Cl)ccc32)CCC1 ZINC000414327120 823958939 /nfs/dbraw/zinc/95/89/39/823958939.db2.gz MHYPIJGGIPOXFI-CQSZACIVSA-N 1 0 392.348 4.012 20 0 GIADRO CC(C)c1nc(N2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)cc(C(C)(C)C)n1 ZINC000192359462 823959154 /nfs/dbraw/zinc/95/91/54/823959154.db2.gz ORIWSBDPTAAWEL-LJQANCHMSA-N 1 0 381.568 4.251 20 0 GIADRO C[C@@H](C[NH2+]Cc1ccc(S(C)(=O)=O)s1)c1c(Cl)cccc1Cl ZINC000414328627 823959457 /nfs/dbraw/zinc/95/94/57/823959457.db2.gz AQZVWOCDVDEEOL-JTQLQIEISA-N 1 0 378.346 4.352 20 0 GIADRO O=C(C[NH2+][C@@H]1CCCc2c(O)cccc21)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000192361368 823959505 /nfs/dbraw/zinc/95/95/05/823959505.db2.gz GEUUKTIRIWJTNF-OAHLLOKOSA-N 1 0 396.821 4.253 20 0 GIADRO CCOc1ccc(Oc2ccccc2NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000575349644 823959715 /nfs/dbraw/zinc/95/97/15/823959715.db2.gz GTXYOQVNBGLMKP-HDICACEKSA-N 1 0 395.503 4.341 20 0 GIADRO O=C(NCCCCCOC1CCCCC1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000126823663 823959959 /nfs/dbraw/zinc/95/99/59/823959959.db2.gz VTTXBVVWIBHZCB-SIKLNZKXSA-N 1 0 391.600 4.164 20 0 GIADRO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@@H]1CCC[C@@H](CO)C1 ZINC000414331388 823959936 /nfs/dbraw/zinc/95/99/36/823959936.db2.gz FJWHXGDAOUEMMX-YRGRVCCFSA-N 1 0 392.849 4.217 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)N(C)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000575354827 823960768 /nfs/dbraw/zinc/96/07/68/823960768.db2.gz HZNXRDJVXXDORJ-SJORKVTESA-N 1 0 386.565 4.129 20 0 GIADRO Cc1cc(C[NH2+]C2CCN(C(=O)CC(F)(F)F)CC2)ccc1C(F)(F)F ZINC000414337419 823960958 /nfs/dbraw/zinc/96/09/58/823960958.db2.gz XPAXXPKCOUHHIU-UHFFFAOYSA-N 1 0 382.348 4.047 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)C1(C2CC2)CCOCC1)c1ccccc1Cl ZINC000462403336 823960982 /nfs/dbraw/zinc/96/09/82/823960982.db2.gz QVXLQCYNAFEDEL-IBGZPJMESA-N 1 0 378.944 4.046 20 0 GIADRO CC(C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1C(F)(F)F ZINC000414339002 823961230 /nfs/dbraw/zinc/96/12/30/823961230.db2.gz JGOPKRQBWFGNAB-UWVGGRQHSA-N 1 0 381.236 4.032 20 0 GIADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(Cc2cccc(C(=O)N3CCCCC3)c2)C1 ZINC000575359517 823961371 /nfs/dbraw/zinc/96/13/71/823961371.db2.gz MDAAMEZJKICUEV-ZRCGQRJVSA-N 1 0 383.580 4.150 20 0 GIADRO CC[C@H](CSc1ccc(Cl)cc1)[NH2+][C@@H]1CCC[C@@H]2CN(C(C)=O)C[C@H]21 ZINC000575356685 823961495 /nfs/dbraw/zinc/96/14/95/823961495.db2.gz PFJQLHDWVZSDGX-RARDXLECSA-N 1 0 380.985 4.447 20 0 GIADRO CC[N@H+](CCC1CCN(C(=O)N[C@H]2C[C@H]2c2cccc(F)c2)CC1)CC1CC1 ZINC000575364163 823962150 /nfs/dbraw/zinc/96/21/50/823962150.db2.gz UPGGYEVMWNSKPF-VXKWHMMOSA-N 1 0 387.543 4.225 20 0 GIADRO CC[C@@H](c1ccncc1)N(C)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000126835711 823962448 /nfs/dbraw/zinc/96/24/48/823962448.db2.gz MCJKVPKKXADGEV-GCJKJVERSA-N 1 0 380.536 4.400 20 0 GIADRO Cc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000414355333 823963257 /nfs/dbraw/zinc/96/32/57/823963257.db2.gz WXWVEFDVXXHISW-GOSISDBHSA-N 1 0 380.941 4.173 20 0 GIADRO CS(=O)(=O)c1ccc(C[NH2+]CC2(Sc3ccccc3)CCCC2)s1 ZINC000414353595 823963300 /nfs/dbraw/zinc/96/33/00/823963300.db2.gz WEJNHKXQLUWDDS-UHFFFAOYSA-N 1 0 381.588 4.346 20 0 GIADRO O=C(N[C@H](c1cc2ccccc2o1)c1ccccc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000170757986 823963282 /nfs/dbraw/zinc/96/32/82/823963282.db2.gz SFHCGMUSNXOGLK-REWPJTCUSA-N 1 0 389.499 4.402 20 0 GIADRO CCn1c(COc2ccc(Cl)cc2)nnc1SCC[C@H]1CCC[N@@H+]1C ZINC000126838505 823963479 /nfs/dbraw/zinc/96/34/79/823963479.db2.gz AAOYEHJEFACWLP-OAHLLOKOSA-N 1 0 380.945 4.107 20 0 GIADRO COc1ccc(C[NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)cc1Br ZINC000192374167 823964136 /nfs/dbraw/zinc/96/41/36/823964136.db2.gz KOKKFQJSLLUXNX-LPHOPBHVSA-N 1 0 376.294 4.325 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CSC[C@@H]2CCCCO2)cc1 ZINC000170760369 823964369 /nfs/dbraw/zinc/96/43/69/823964369.db2.gz NVTMHHXDHJXRLY-PXNSSMCTSA-N 1 0 376.566 4.302 20 0 GIADRO COc1cccc([C@H](C)C(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)c1 ZINC000170774498 823967077 /nfs/dbraw/zinc/96/70/77/823967077.db2.gz BXPVMRHNRNHSEZ-IBGZPJMESA-N 1 0 380.532 4.169 20 0 GIADRO CC[C@H](Oc1ccccc1F)C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000575411800 823968357 /nfs/dbraw/zinc/96/83/57/823968357.db2.gz CFLVKGXPRRDDGN-XUZZJYLKSA-N 1 0 396.506 4.108 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)C1(Cc2ccccc2)CCC1 ZINC000126860845 823968468 /nfs/dbraw/zinc/96/84/68/823968468.db2.gz YQQGZOANFHCIIX-UHFFFAOYSA-N 1 0 377.532 4.169 20 0 GIADRO C[C@H]([NH2+][C@H]1CCN(C(=O)C2CCCC2)C1)c1ccc(F)cc1Br ZINC000126861673 823968927 /nfs/dbraw/zinc/96/89/27/823968927.db2.gz AARBLWRLUNPSGG-WFASDCNBSA-N 1 0 383.305 4.030 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1cnc(-c2ccccn2)s1)c1ccsc1 ZINC000170779455 823969496 /nfs/dbraw/zinc/96/94/96/823969496.db2.gz UBRXYWNFVNSWSC-MRXNPFEDSA-N 1 0 386.546 4.080 20 0 GIADRO CCc1ncc(C[NH2+]C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cn1 ZINC000414388145 823971072 /nfs/dbraw/zinc/97/10/72/823971072.db2.gz BNUQPANLWVQKRT-UHFFFAOYSA-N 1 0 379.335 4.100 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)N[C@H]2CCc3c2cccc3Br)c1 ZINC000170793857 823972768 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399.844 4.390 20 0 GIADRO C[C@@H](c1cc(F)ccc1F)[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000170834631 823985412 /nfs/dbraw/zinc/98/54/12/823985412.db2.gz BNAIXDFSLCIKJO-ZDUSSCGKSA-N 1 0 388.414 4.105 20 0 GIADRO CN(C(=O)c1sccc1OC(F)F)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000126941304 823985852 /nfs/dbraw/zinc/98/58/52/823985852.db2.gz LHRPXJMWDWRCCC-UHFFFAOYSA-N 1 0 396.459 4.101 20 0 GIADRO Cc1cc(C[NH2+]Cc2ccncc2OC[C@@H]2CCOC2)ccc1C(F)(F)F ZINC000414442664 823986536 /nfs/dbraw/zinc/98/65/36/823986536.db2.gz MDWMLHBAZANISV-MRXNPFEDSA-N 1 0 380.410 4.114 20 0 GIADRO Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@@H](c1ccccc1)C1(CO)CCC1 ZINC000414453307 823988131 /nfs/dbraw/zinc/98/81/31/823988131.db2.gz ORFOKGRGMGOHDU-QFIPXVFZSA-N 1 0 379.479 4.313 20 0 GIADRO CCOc1ccc(C[NH2+]CCc2cnc(SC3CCCC3)nc2)cc1OC ZINC000575766109 823989305 /nfs/dbraw/zinc/98/93/05/823989305.db2.gz OBOVKBNDKVOWDM-UHFFFAOYSA-N 1 0 387.549 4.251 20 0 GIADRO CCO[C@@H](C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1)c1ccccc1 ZINC000170849667 823990055 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CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]Cc2cccc(OCC(C)C)c2)c1 ZINC000414492448 823994845 /nfs/dbraw/zinc/99/48/45/823994845.db2.gz FTOWCTBXYSATEB-UHFFFAOYSA-N 1 0 395.952 4.458 20 0 GIADRO COc1cccc2c1CC[C@H]([NH2+]CCc1nc(-c3cccc(Cl)c3)no1)C2 ZINC000192445494 823995367 /nfs/dbraw/zinc/99/53/67/823995367.db2.gz NNRGPTNKBMCMMF-KRWDZBQOSA-N 1 0 383.879 4.088 20 0 GIADRO C[NH+](C)CCc1ccc(C(=O)NCCOc2ccccc2-c2ccccc2)cc1 ZINC000575786316 823995418 /nfs/dbraw/zinc/99/54/18/823995418.db2.gz JHPSJCBFEIXXHQ-UHFFFAOYSA-N 1 0 388.511 4.267 20 0 GIADRO COc1ccc([C@H]([NH2+][C@H](C)C(=O)Nc2cccc3ncccc32)C2CC2)cc1 ZINC000170874205 823996258 /nfs/dbraw/zinc/99/62/58/823996258.db2.gz XIGBDGSRBLRQQU-IVZQSRNASA-N 1 0 375.472 4.311 20 0 GIADRO COc1cccc2c1CC[C@@H]([NH2+][C@@H](C)c1c(C)nn(CC(F)(F)F)c1C)C2 ZINC000192447558 823996411 /nfs/dbraw/zinc/99/64/11/823996411.db2.gz YJKYUOIXQZETSH-BLLLJJGKSA-N 1 0 381.442 4.279 20 0 GIADRO Cc1nn2c(nc(C)c2C[NH2+]Cc2cc(Cl)cc(Br)c2)s1 ZINC000414508754 823998050 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GIADRO Fc1ccc(C([NH2+]Cc2ccc(Cn3cncn3)cc2)c2ccc(F)cc2)cc1 ZINC000192464841 824001328 /nfs/dbraw/zinc/00/13/28/824001328.db2.gz ILDOLIOGCWKIPT-UHFFFAOYSA-N 1 0 390.437 4.484 20 0 GIADRO COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N[C@@](C)(C[NH3+])C2CC2)cc1 ZINC000575810972 824001408 /nfs/dbraw/zinc/00/14/08/824001408.db2.gz BORIDLATKYXETO-DEOSSOPVSA-N 1 0 391.515 4.020 20 0 GIADRO OCC1([C@@H]([NH2+]Cc2ccc(N3CCCC3)nc2)c2ccccc2)CCCCC1 ZINC000414525409 824001594 /nfs/dbraw/zinc/00/15/94/824001594.db2.gz JPYSMPZZRVKWOH-QHCPKHFHSA-N 1 0 379.548 4.456 20 0 GIADRO CC[C@H]([NH2+][C@H]1CCN(C(=O)C2CCCC2)C1)c1cccc(Br)c1 ZINC000127022651 824002404 /nfs/dbraw/zinc/00/24/04/824002404.db2.gz OKLANDCXECMFIX-ROUUACIJSA-N 1 0 379.342 4.281 20 0 GIADRO COCCNc1ccc(C[NH2+][C@H](C)c2ccc(F)c(Br)c2)cc1 ZINC000127027018 824003266 /nfs/dbraw/zinc/00/32/66/824003266.db2.gz FVXKICAJAFRWOW-CYBMUJFWSA-N 1 0 381.289 4.497 20 0 GIADRO CC(C)[C@@H]1[N@H+](Cc2csc(-c3ccc4c(c3)OCO4)n2)CC12CCOCC2 ZINC000414539279 824005495 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CC(C)(C[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)c1cccnc1 ZINC000414554456 824010585 /nfs/dbraw/zinc/01/05/85/824010585.db2.gz HDNBFHCCXPVWEM-UHFFFAOYSA-N 1 0 388.437 4.413 20 0 GIADRO COc1cc(C[N@@H+]2CCC[C@@H](CCC(=O)OC(C)(C)C)C2)cc(OC)c1OC ZINC000414553442 824010614 /nfs/dbraw/zinc/01/06/14/824010614.db2.gz FQTJZONMJSOPLQ-INIZCTEOSA-N 1 0 393.524 4.046 20 0 GIADRO O=C(NC[C@H](Cc1ccccc1)C(F)(F)F)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000575844948 824010772 /nfs/dbraw/zinc/01/07/72/824010772.db2.gz UXIIHMMBTJQEOC-SFHVURJKSA-N 1 0 399.416 4.398 20 0 GIADRO C[C@H]([NH2+]C1(CNC(=O)c2cnc([C@@H]3CCCO3)s2)CCCC1)c1ccccc1 ZINC000127073478 824011467 /nfs/dbraw/zinc/01/14/67/824011467.db2.gz ZFQVGZPTRDCZLE-WMZOPIPTSA-N 1 0 399.560 4.388 20 0 GIADRO COc1ccc(C[N@@H+]2CCC[C@@H](N3CCCC3=O)CC2)cc1OCCC(C)C ZINC000414557757 824011907 /nfs/dbraw/zinc/01/19/07/824011907.db2.gz XTOOIUHHJGXQKI-HXUWFJFHSA-N 1 0 388.552 4.097 20 0 GIADRO CCOc1cc(C[NH2+]CC(C)(C)c2cccnc2)cc(Br)c1O ZINC000414561228 824013100 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CC[C@@H](NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1)c1cc(F)ccc1F ZINC000127099359 824017053 /nfs/dbraw/zinc/01/70/53/824017053.db2.gz DTIPPUYCFOYZDO-LJQANCHMSA-N 1 0 379.426 4.116 20 0 GIADRO O=C(Nc1ccc(F)cc1Cl)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000192515553 824017247 /nfs/dbraw/zinc/01/72/47/824017247.db2.gz CFPXHWDIMKWZFW-UHFFFAOYSA-N 1 0 375.875 4.308 20 0 GIADRO C[C@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)c1nc(-c2ccccc2)cs1 ZINC000170955869 824017403 /nfs/dbraw/zinc/01/74/03/824017403.db2.gz PPXXAZIMJBGMPC-FUHWJXTLSA-N 1 0 384.549 4.141 20 0 GIADRO Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000192516867 824017598 /nfs/dbraw/zinc/01/75/98/824017598.db2.gz IXHAJVMWRAOZTQ-UHFFFAOYSA-N 1 0 375.925 4.129 20 0 GIADRO CC(C)C[N@H+](CC(=O)Nc1ccnn1C1CCCC1)[C@H]1CCCc2cccnc21 ZINC000127104250 824017783 /nfs/dbraw/zinc/01/77/83/824017783.db2.gz FKPKYQCTHMOWQA-FQEVSTJZSA-N 1 0 395.551 4.367 20 0 GIADRO [NH3+]C1CCC(OCc2nc(-c3ccccc3OCc3ccccc3)no2)CC1 ZINC000414626953 824018714 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IHJQZBVVTWYBSX-OAHLLOKOSA-N 1 0 395.347 4.332 20 0 GIADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000414683052 824023205 /nfs/dbraw/zinc/02/32/05/824023205.db2.gz SIEUKKFTWQZWMJ-UWVGGRQHSA-N 1 0 383.336 4.315 20 0 GIADRO O=C(C[NH2+]C1(c2ccc(F)cc2)CCOCC1)Nc1ccc(C(F)(F)F)cc1 ZINC000170971489 824023582 /nfs/dbraw/zinc/02/35/82/824023582.db2.gz AVTBODLWKIBJLM-UHFFFAOYSA-N 1 0 396.384 4.079 20 0 GIADRO COc1ccc(C[N@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)cc1OC(F)F ZINC000127141246 824025081 /nfs/dbraw/zinc/02/50/81/824025081.db2.gz QOHPYBSDYZTXIM-CQSZACIVSA-N 1 0 388.418 4.070 20 0 GIADRO C[N@H+](Cc1ccc(OC(F)F)c(Br)c1)C1CCC(CO)CC1 ZINC000575907863 824026618 /nfs/dbraw/zinc/02/66/18/824026618.db2.gz VBHJXSHCYVUOIX-UHFFFAOYSA-N 1 0 378.257 4.033 20 0 GIADRO C[NH2+][C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(Br)cc3)cc2)C1 ZINC000414722876 824027129 /nfs/dbraw/zinc/02/71/29/824027129.db2.gz GPCMFSMFTIDXHW-OAHLLOKOSA-N 1 0 390.281 4.067 20 0 GIADRO CCOc1ccc(Oc2ccccc2NC(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000414722277 824027147 /nfs/dbraw/zinc/02/71/47/824027147.db2.gz FBVPYABKONTQFE-IRXDYDNUSA-N 1 0 383.492 4.469 20 0 GIADRO C[NH2+]C[C@H]1CCCN1C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000414723919 824027476 /nfs/dbraw/zinc/02/74/76/824027476.db2.gz DEJFKSFFOPMPIB-QGZVFWFLSA-N 1 0 380.517 4.103 20 0 GIADRO COc1ccc([C@@H]2CCCC[C@@H]2[NH2+]C2CCN(C(=O)C(C)C)CC2)cc1F ZINC000575911022 824027633 /nfs/dbraw/zinc/02/76/33/824027633.db2.gz RXMXHECRSTZFOC-ICSRJNTNSA-N 1 0 376.516 4.097 20 0 GIADRO C[C@@]1(C[NH3+])CCN(C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)C1 ZINC000414724655 824027820 /nfs/dbraw/zinc/02/78/20/824027820.db2.gz FWTCEFMJWKOOPL-NRFANRHFSA-N 1 0 380.517 4.090 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NC2(c3ccccc3)CCCC2)cc1 ZINC000575912056 824028139 /nfs/dbraw/zinc/02/81/39/824028139.db2.gz CPIHNQIOJRUMCO-UHFFFAOYSA-N 1 0 393.531 4.053 20 0 GIADRO C[N@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)Cc1nnc(-c2ccccc2)o1 ZINC000170987929 824028539 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399.347 4.160 20 0 GIADRO C[NH2+]C[C@H]1CCCN1C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 ZINC000414739772 824031145 /nfs/dbraw/zinc/03/11/45/824031145.db2.gz QFCQMSQZMHFGPJ-GFCCVEGCSA-N 1 0 399.347 4.256 20 0 GIADRO CC(C)CC[C@H](NC(=O)C(=O)Nc1ccc(C[NH3+])cc1)c1ccc(Cl)cc1 ZINC000414741196 824031671 /nfs/dbraw/zinc/03/16/71/824031671.db2.gz RSEDHTMSRYFIKJ-IBGZPJMESA-N 1 0 387.911 4.031 20 0 GIADRO [NH3+][C@H]1CCC[C@@H](CNC(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)C1 ZINC000414742789 824031880 /nfs/dbraw/zinc/03/18/80/824031880.db2.gz UFWYUECJIQIAIG-HIFRSBDPSA-N 1 0 378.929 4.026 20 0 GIADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)C1 ZINC000414745535 824032370 /nfs/dbraw/zinc/03/23/70/824032370.db2.gz KXNOTKPHSBLVSD-PWSUYJOCSA-N 1 0 384.427 4.030 20 0 GIADRO [NH3+]CC1CCN(C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)CC1 ZINC000414747903 824032687 /nfs/dbraw/zinc/03/26/87/824032687.db2.gz NLGIXRYUECYWNR-UHFFFAOYSA-N 1 0 384.427 4.032 20 0 GIADRO COCc1ccc(NC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)cc1 ZINC000192565071 824033219 /nfs/dbraw/zinc/03/32/19/824033219.db2.gz OWCDZAAVNCMGQT-UHFFFAOYSA-N 1 0 381.520 4.209 20 0 GIADRO [NH3+]CCCN(Cc1ccccc1)C(=O)Nc1ccc(OCC(F)(F)F)cc1 ZINC000414767576 824034604 /nfs/dbraw/zinc/03/46/04/824034604.db2.gz JCICHJBHWCSKPX-UHFFFAOYSA-N 1 0 381.398 4.011 20 0 GIADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000414769319 824034689 /nfs/dbraw/zinc/03/46/89/824034689.db2.gz JUJSYOWWZGWBJO-KXBFYZLASA-N 1 0 381.480 4.064 20 0 GIADRO COCc1ccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000192570648 824034836 /nfs/dbraw/zinc/03/48/36/824034836.db2.gz GSKGJBUTYWNQNU-GMAHTHKFSA-N 1 0 393.531 4.351 20 0 GIADRO Cc1cc(NC(=O)N(C)CC[C@H]([NH3+])C(C)C)n(-c2cccc(C(F)(F)F)c2)n1 ZINC000414775687 824035042 /nfs/dbraw/zinc/03/50/42/824035042.db2.gz MMPMMVBXVTVHBQ-INIZCTEOSA-N 1 0 397.445 4.037 20 0 GIADRO O=C(Nc1ccccc1N1CCCCCC1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000414777409 824035432 /nfs/dbraw/zinc/03/54/32/824035432.db2.gz FGBVENFIMJHJKG-PZJWPPBQSA-N 1 0 384.568 4.453 20 0 GIADRO CC[NH2+]CC1CCN(C(=O)Nc2ccc(Oc3ccccc3OC)cc2)CC1 ZINC000414786521 824036130 /nfs/dbraw/zinc/03/61/30/824036130.db2.gz MICKQLVVBREKGE-UHFFFAOYSA-N 1 0 383.492 4.341 20 0 GIADRO CC[C@H](CNC(=O)C1CC[NH+](C2CC2)CC1)Cc1cccc(Br)c1 ZINC000192575064 824036134 /nfs/dbraw/zinc/03/61/34/824036134.db2.gz GLADVJJXNAZWPY-HNNXBMFYSA-N 1 0 393.369 4.008 20 0 GIADRO C[C@@H]1CN(C(=O)Nc2ccc(OC(F)F)c(Cc3ccccc3)c2)CC[C@@H]1[NH3+] ZINC000414788209 824036473 /nfs/dbraw/zinc/03/64/73/824036473.db2.gz NFKLETIDDVTYNM-KDOFPFPSSA-N 1 0 389.446 4.080 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)Nc2ccc(OC(F)F)c(Cc3ccccc3)c2)CC[NH2+]1 ZINC000414789479 824036508 /nfs/dbraw/zinc/03/65/08/824036508.db2.gz OOOJCSKRZSEVKZ-RDTXWAMCSA-N 1 0 389.446 4.141 20 0 GIADRO C[C@@H]1CN(C(=O)Nc2ccc(OC(F)F)c(Cc3ccccc3)c2)CC[C@H]1[NH3+] ZINC000414788215 824036600 /nfs/dbraw/zinc/03/66/00/824036600.db2.gz NFKLETIDDVTYNM-RDTXWAMCSA-N 1 0 389.446 4.080 20 0 GIADRO CN(C(=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1)[C@H](C[NH3+])C1CC1 ZINC000414797037 824037289 /nfs/dbraw/zinc/03/72/89/824037289.db2.gz WEXSLMMJZXHERM-GOSISDBHSA-N 1 0 389.446 4.080 20 0 GIADRO O=C([C@H]1CC[N@@H+](Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)C1)N1CCCC1 ZINC000575956597 824037380 /nfs/dbraw/zinc/03/73/80/824037380.db2.gz ZOQPBWOFYJPTSU-INIZCTEOSA-N 1 0 392.421 4.410 20 0 GIADRO CCOc1cc(CNc2ccc([C@@H](C)[NH3+])cc2)cc(Br)c1OC ZINC000414798200 824037409 /nfs/dbraw/zinc/03/74/09/824037409.db2.gz BQOSWQJGFUYCAM-GFCCVEGCSA-N 1 0 379.298 4.488 20 0 GIADRO CC(C)n1c(-c2c[nH]c3ccccc23)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000575959574 824038329 /nfs/dbraw/zinc/03/83/29/824038329.db2.gz RIBCAPBMADLUBL-UHFFFAOYSA-N 1 0 392.551 4.462 20 0 GIADRO O=C(C1CC[NH+](CCOc2cc(Cl)ccc2Cl)CC1)N1CCCCC1 ZINC000171015948 824038340 /nfs/dbraw/zinc/03/83/40/824038340.db2.gz HCNIHRGNPJCSAO-UHFFFAOYSA-N 1 0 385.335 4.097 20 0 GIADRO Cc1cc(C)n(-c2ccccc2NC(=O)N[C@@H](CCC[NH3+])c2ccccc2)n1 ZINC000414814100 824038765 /nfs/dbraw/zinc/03/87/65/824038765.db2.gz NEBVBSJDGVIFMT-IBGZPJMESA-N 1 0 377.492 4.091 20 0 GIADRO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000414819288 824039138 /nfs/dbraw/zinc/03/91/38/824039138.db2.gz YJAPBNQOKVYDAL-HXUWFJFHSA-N 1 0 399.922 4.046 20 0 GIADRO CC[C@H](C(=O)N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1)[N@H+](C)Cc1ccccc1 ZINC000575961955 824039198 /nfs/dbraw/zinc/03/91/98/824039198.db2.gz SJZBBEXFIBORHQ-VSKRKVRLSA-N 1 0 384.495 4.073 20 0 GIADRO O=C(Nc1ccccc1N1CCc2ccccc21)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414821057 824039688 /nfs/dbraw/zinc/03/96/88/824039688.db2.gz BPKVRXWNSPJENM-VQTJNVASSA-N 1 0 390.531 4.234 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)NC[C@]2(C)CCCS2)CC1 ZINC000575964396 824039924 /nfs/dbraw/zinc/03/99/24/824039924.db2.gz DXCNLEMTPHXFOA-IBGZPJMESA-N 1 0 397.972 4.220 20 0 GIADRO CCCOc1c(Br)cc(C[NH2+]C[C@H](N)c2ccccc2)cc1OC ZINC000414827544 824039958 /nfs/dbraw/zinc/03/99/58/824039958.db2.gz HFKQEAQMLQUOPV-KRWDZBQOSA-N 1 0 393.325 4.036 20 0 GIADRO [NH3+]CCC[C@@H](NC(=O)Nc1cccc(OCC(F)(F)F)c1)c1ccccc1 ZINC000414824640 824040045 /nfs/dbraw/zinc/04/00/45/824040045.db2.gz RATOUEZMMKUFAD-QGZVFWFLSA-N 1 0 381.398 4.229 20 0 GIADRO [NH3+]CCCOC1CCN(C(=O)Nc2ccccc2SC2CCCC2)CC1 ZINC000414831471 824040214 /nfs/dbraw/zinc/04/02/14/824040214.db2.gz PQESQLKYRXIAAQ-UHFFFAOYSA-N 1 0 377.554 4.083 20 0 GIADRO Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)NCC1([NH3+])CCCCCC1 ZINC000414834488 824040462 /nfs/dbraw/zinc/04/04/62/824040462.db2.gz CDMOWNSTVMYRAE-UHFFFAOYSA-N 1 0 394.519 4.421 20 0 GIADRO C[C@@H]([NH3+])c1ccc(NC(=O)Nc2ccc(S(=O)(=O)C3CCCC3)cc2)cc1 ZINC000414833687 824040496 /nfs/dbraw/zinc/04/04/96/824040496.db2.gz PUBFDVCLOLTCHY-CQSZACIVSA-N 1 0 387.505 4.067 20 0 GIADRO Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)N2CCC[C@H](CC[NH3+])C2)c1 ZINC000414843256 824041204 /nfs/dbraw/zinc/04/12/04/824041204.db2.gz CBHIBSCJHDEUPI-QGZVFWFLSA-N 1 0 383.540 4.071 20 0 GIADRO C[NH2+]CCC1CCN(C(=O)Nc2ccccc2N2CCc3ccccc32)CC1 ZINC000414843592 824041335 /nfs/dbraw/zinc/04/13/35/824041335.db2.gz JSAOKTFPELNWDE-UHFFFAOYSA-N 1 0 378.520 4.234 20 0 GIADRO C[C@@H]1CN(C(=O)Nc2cc(C(C)(C)C)nn2-c2cccc(Cl)c2)CC[C@H]1[NH3+] ZINC000414851236 824041719 /nfs/dbraw/zinc/04/17/19/824041719.db2.gz NXJIIEVBASBEAE-CZUORRHYSA-N 1 0 389.931 4.024 20 0 GIADRO CC[C@@H](NC(=O)Nc1ccc2c(c1)C[NH2+]CCO2)c1ccccc1OC(F)F ZINC000575971076 824041902 /nfs/dbraw/zinc/04/19/02/824041902.db2.gz GVGSMVRGFUALJA-MRXNPFEDSA-N 1 0 391.418 4.043 20 0 GIADRO C[C@@H](NCc1csc(-c2cccc(Br)c2)n1)[C@H]1CCC[NH2+]C1 ZINC000414852626 824042142 /nfs/dbraw/zinc/04/21/42/824042142.db2.gz KDNYFAACROHDPV-OCCSQVGLSA-N 1 0 380.355 4.050 20 0 GIADRO Cc1nc(-c2ccco2)ccc1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000171028207 824042216 /nfs/dbraw/zinc/04/22/16/824042216.db2.gz GONXDKDCRRZSDJ-UHFFFAOYSA-N 1 0 389.499 4.087 20 0 GIADRO COCc1ccc(NC(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)cc1 ZINC000192599418 824042221 /nfs/dbraw/zinc/04/22/21/824042221.db2.gz PMRTZYXMMNWRNK-SFHVURJKSA-N 1 0 395.425 4.276 20 0 GIADRO COc1cc(/C=C\c2nc(CC34CCC[NH+]3CCC4)no2)ccc1C(F)(F)F ZINC000575975092 824042262 /nfs/dbraw/zinc/04/22/62/824042262.db2.gz RYOZGFUQBQFZCO-ALCCZGGFSA-N 1 0 393.409 4.438 20 0 GIADRO COc1ccccc1[C@@H](NC(=O)C1CC[NH+](C2CC2)CC1)c1ccccc1Cl ZINC000192599122 824042294 /nfs/dbraw/zinc/04/22/94/824042294.db2.gz HYMIZMVSAOPHDY-QFIPXVFZSA-N 1 0 398.934 4.429 20 0 GIADRO CC[NH2+]Cc1ccccc1NCc1ccc(OC)c(OCc2cccnc2)c1 ZINC000414861563 824043154 /nfs/dbraw/zinc/04/31/54/824043154.db2.gz FWNAEZAZXIPVST-UHFFFAOYSA-N 1 0 377.488 4.391 20 0 GIADRO C[NH+](C)CCN(C(=O)c1csc(-c2c(F)cccc2F)n1)c1ccccc1 ZINC000171032588 824043402 /nfs/dbraw/zinc/04/34/02/824043402.db2.gz XNXXUSIQZSIACQ-UHFFFAOYSA-N 1 0 387.455 4.297 20 0 GIADRO COc1cc(NC(=O)CC[N@@H+]2CCC[C@@H]2c2ccccc2C)cc(OC)c1OC ZINC000171033332 824043541 /nfs/dbraw/zinc/04/35/41/824043541.db2.gz GGRUYOGSSXMWFH-LJQANCHMSA-N 1 0 398.503 4.187 20 0 GIADRO O=C(NCC[NH2+]C1CCCCCC1)Nc1cccc(NC(=O)c2ccccc2)c1 ZINC000414873956 824043829 /nfs/dbraw/zinc/04/38/29/824043829.db2.gz AGFIEQVNPJZHDH-UHFFFAOYSA-N 1 0 394.519 4.373 20 0 GIADRO CC[C@H](C)[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1)c1ccc(Cl)cc1 ZINC000414879908 824044171 /nfs/dbraw/zinc/04/41/71/824044171.db2.gz PZYXBCWHAAFCFN-KSMMKXTCSA-N 1 0 387.911 4.202 20 0 GIADRO O=C(c1ccc(C2SCCS2)cc1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000171044554 824046155 /nfs/dbraw/zinc/04/61/55/824046155.db2.gz ACPBFTDDWHFGLP-SFHVURJKSA-N 1 0 376.591 4.256 20 0 GIADRO Cc1cc(Br)cc(C)c1NC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000414891147 824046273 /nfs/dbraw/zinc/04/62/73/824046273.db2.gz VGAJQLHZTYHWNE-NVXWUHKLSA-N 1 0 394.357 4.452 20 0 GIADRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000414892562 824046687 /nfs/dbraw/zinc/04/66/87/824046687.db2.gz QDCWFKFCBDMTAV-UZLBHIALSA-N 1 0 395.507 4.373 20 0 GIADRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000414892976 824046718 /nfs/dbraw/zinc/04/67/18/824046718.db2.gz QPWGWUOMSQJWDX-DNVCBOLYSA-N 1 0 395.507 4.230 20 0 GIADRO CCC(CC)(C[NH3+])NC(=O)Nc1cc(NC(=O)Nc2ccccc2)ccc1C ZINC000414894652 824046852 /nfs/dbraw/zinc/04/68/52/824046852.db2.gz UHCXRVGWHFIJLC-UHFFFAOYSA-N 1 0 383.496 4.278 20 0 GIADRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414894674 824047042 /nfs/dbraw/zinc/04/70/42/824047042.db2.gz UHWQLEYREQBJGL-NVXWUHKLSA-N 1 0 381.480 4.030 20 0 GIADRO CC(C)c1nccn1Cc1cccc(NC(=O)N(CC[NH3+])Cc2ccccc2)c1 ZINC000414897747 824047120 /nfs/dbraw/zinc/04/71/20/824047120.db2.gz FLRBZIDQVXOJPT-UHFFFAOYSA-N 1 0 391.519 4.048 20 0 GIADRO O=C(CC[N@H+]1CC[C@H](OC(F)F)C1)Nc1ccc(Oc2ccccc2)cc1 ZINC000576005260 824048336 /nfs/dbraw/zinc/04/83/36/824048336.db2.gz HNCISDQVODGMEJ-SFHVURJKSA-N 1 0 376.403 4.121 20 0 GIADRO CCCN(C(=O)Nc1cccc(Cn2ccnc2C(C)C)c1)C1CC[NH2+]CC1 ZINC000414905812 824048592 /nfs/dbraw/zinc/04/85/92/824048592.db2.gz OXDPALUSNDWJMA-UHFFFAOYSA-N 1 0 383.540 4.051 20 0 GIADRO Cc1ccc(Br)cc1NC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000414910215 824049019 /nfs/dbraw/zinc/04/90/19/824049019.db2.gz SNBOOMKGHBQYCV-WMLDXEAASA-N 1 0 380.330 4.144 20 0 GIADRO Cn1ccnc1[C@H](O)[C@H]1CCC[N@H+](CCCc2c(Cl)cccc2Cl)C1 ZINC000192627054 824049240 /nfs/dbraw/zinc/04/92/40/824049240.db2.gz DZPIYNAFRLMCJR-KBXCAEBGSA-N 1 0 382.335 4.105 20 0 GIADRO Cc1ccc(Br)c(NC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)c1 ZINC000576016524 824050245 /nfs/dbraw/zinc/05/02/45/824050245.db2.gz BMTGUXXZARQWNX-QGZVFWFLSA-N 1 0 394.288 4.321 20 0 GIADRO COc1ccc(C[NH2+][C@H]2CCCc3cc(N)ccc32)cc1OCc1cccnc1 ZINC000414924193 824051015 /nfs/dbraw/zinc/05/10/15/824051015.db2.gz IJQNHGZYNPBVOZ-QFIPXVFZSA-N 1 0 389.499 4.419 20 0 GIADRO CC(C)(C)C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2)c1ccc(Cl)cc1 ZINC000414925693 824051064 /nfs/dbraw/zinc/05/10/64/824051064.db2.gz JEERBGSGPHISEZ-LJQANCHMSA-N 1 0 399.922 4.175 20 0 GIADRO CC(C)CNC(=O)c1ccc(NC(=O)Nc2ccc([C@H](C)[NH3+])cc2)cc1Cl ZINC000414938259 824052211 /nfs/dbraw/zinc/05/22/11/824052211.db2.gz DZLVWUIKKMJHFZ-ZDUSSCGKSA-N 1 0 388.899 4.390 20 0 GIADRO CC(C)(C)Oc1ccc(CNC(=O)C2CC[NH+](C3CC3)CC2)c(C(F)(F)F)c1 ZINC000192635940 824052291 /nfs/dbraw/zinc/05/22/91/824052291.db2.gz DMSGDFRRGOWWBQ-UHFFFAOYSA-N 1 0 398.469 4.373 20 0 GIADRO CC[NH+](CC)Cc1ccc(-c2nc(Cc3csc([C@@H](C)OC)n3)no2)cc1 ZINC000576026728 824052956 /nfs/dbraw/zinc/05/29/56/824052956.db2.gz FCYGIBKIHPDIHS-CQSZACIVSA-N 1 0 386.521 4.333 20 0 GIADRO C[C@H]([NH3+])c1ccc(NC(=O)Nc2ccc3c(c2)N(C(=O)C(C)(C)C)CCO3)cc1 ZINC000414962303 824054367 /nfs/dbraw/zinc/05/43/67/824054367.db2.gz CFGRLZRLLZGWJN-AWEZNQCLSA-N 1 0 396.491 4.122 20 0 GIADRO Cc1nc(C)c(CC[NH2+][C@@H](C)c2ccccc2I)s1 ZINC000482816177 370698730 /nfs/dbraw/zinc/69/87/30/370698730.db2.gz PPVFVJRXRBJIKM-JTQLQIEISA-N 1 0 386.302 4.258 20 0 GIADRO NC(=O)[C@@H]([NH2+]C[C@H]1CCO[C@@H]1c1ccccc1)c1ccc(Br)cc1 ZINC000328631663 212087914 /nfs/dbraw/zinc/08/79/14/212087914.db2.gz RGFNDTJKHWLUGV-BPQIPLTHSA-N 1 0 389.293 4.393 20 0 GIADRO COc1ccccc1[C@H](CNc1nc(C)nc2sc3c(c21)CCC3)[NH+](C)C ZINC000007979206 221017345 /nfs/dbraw/zinc/01/73/45/221017345.db2.gz HHXVAJVZDMDRDR-INIZCTEOSA-N 1 0 382.533 4.212 20 0 GIADRO COc1cc(C[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)cc(OC)c1OC ZINC000013993963 221295455 /nfs/dbraw/zinc/29/54/55/221295455.db2.gz UBGZVYXLJAWPOF-IBGZPJMESA-N 1 0 389.467 4.033 20 0 GIADRO Cc1ccc(-c2cnc(CCC(=O)NCC(C)(C)[N@@H+]3CCC[C@@H](C)C3)o2)cc1 ZINC000053403948 222009692 /nfs/dbraw/zinc/00/96/92/222009692.db2.gz DRNRYMGKVXRISN-GOSISDBHSA-N 1 0 383.536 4.209 20 0 GIADRO CCC(=O)Nc1cccc(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)c1 ZINC000053359834 222009913 /nfs/dbraw/zinc/00/99/13/222009913.db2.gz MPQVMHKSPKUIGR-GOSISDBHSA-N 1 0 393.531 4.340 20 0 GIADRO Brc1ccc(-c2nc(CN3CCC[C@@H]([NH+]4CCCC4)C3)co2)cc1 ZINC000064508487 222072259 /nfs/dbraw/zinc/07/22/59/222072259.db2.gz MAFRHNCVQVDSGC-GOSISDBHSA-N 1 0 390.325 4.164 20 0 GIADRO Cc1cc(C(F)(F)N2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)cc(Cl)n1 ZINC001164387818 718814100 /nfs/dbraw/zinc/81/41/00/718814100.db2.gz ITWJTQJZLWRBFT-CYBMUJFWSA-N 1 0 383.792 4.099 20 0 GIADRO Cc1ccc(C(F)(F)N2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)nc1Cl ZINC001164387577 718814738 /nfs/dbraw/zinc/81/47/38/718814738.db2.gz IKZXWVCEVZLNEH-CYBMUJFWSA-N 1 0 383.792 4.099 20 0 GIADRO Cc1cc(C(F)(F)N2[C@H](C(F)(F)F)CCC23CC[NH2+]CC3)cc(Cl)n1 ZINC001164413472 718879897 /nfs/dbraw/zinc/87/98/97/718879897.db2.gz IUHZACHLLUPCMB-LBPRGKRZSA-N 1 0 383.792 4.242 20 0 GIADRO Cc1ccc(C(F)(F)N2[C@H](C(F)(F)F)CCC23CC[NH2+]CC3)nc1Cl ZINC001164414447 718880696 /nfs/dbraw/zinc/88/06/96/718880696.db2.gz UIBPHFZXSKFYMA-LBPRGKRZSA-N 1 0 383.792 4.242 20 0 GIADRO CC(C)c1ccc(-c2cc(C(F)(F)N3C[C@@H]4C[C@]4([NH3+])C3)c(Cl)nn2)cc1 ZINC001164417936 718889281 /nfs/dbraw/zinc/88/92/81/718889281.db2.gz LOOLPECTQZWODG-KSSFIOAISA-N 1 0 378.854 4.003 20 0 GIADRO Fc1ccc2nc(C(F)(F)N3CCCC[C@@H]3C3CC[NH2+]CC3)nc(Cl)c2c1 ZINC001164420668 718891884 /nfs/dbraw/zinc/89/18/84/718891884.db2.gz VLOIIXVDGTXOKH-MRXNPFEDSA-N 1 0 398.860 4.326 20 0 GIADRO FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1CCCCC12CC[NH2+]CC2 ZINC001164420473 718911476 /nfs/dbraw/zinc/91/14/76/718911476.db2.gz JIAWFOJSEVGLHZ-UHFFFAOYSA-N 1 0 392.881 4.454 20 0 GIADRO CSc1ccc(C(F)(F)N2C[C@@H]3[NH2+]Cc4ccccc4[C@@H]3C2)nc1Cl ZINC001164425893 718943548 /nfs/dbraw/zinc/94/35/48/718943548.db2.gz XYFLIWWHEQHVMM-KBPBESRZSA-N 1 0 381.879 4.077 20 0 GIADRO Fc1cc(C(F)(F)N2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cnc1Cl ZINC001164618731 719045645 /nfs/dbraw/zinc/04/56/45/719045645.db2.gz BCVZMMKIQXXJIE-CRAIPNDOSA-N 1 0 381.829 4.003 20 0 GIADRO FC(F)(Sc1ccc(Cl)nc1)N1CC[C@@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164619264 719049122 /nfs/dbraw/zinc/04/91/22/719049122.db2.gz CFXWDBYRSNTUQJ-FUHWJXTLSA-N 1 0 395.906 4.457 20 0 GIADRO FC(F)(c1ccc(Cl)nc1)N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164618363 719050282 /nfs/dbraw/zinc/05/02/82/719050282.db2.gz AVFPVIREYAULLQ-SJLPKXTDSA-N 1 0 377.866 4.381 20 0 GIADRO Clc1cccc2c1ncnc2N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164629773 719065270 /nfs/dbraw/zinc/06/52/70/719065270.db2.gz YYYQOWDOQMXAGO-FXAWDEMLSA-N 1 0 378.907 4.384 20 0 GIADRO Clc1nnc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c2sccc21 ZINC001164622853 719066362 /nfs/dbraw/zinc/06/63/62/719066362.db2.gz IZRHERPUDUFEIU-RDJZCZTQSA-N 1 0 384.936 4.446 20 0 GIADRO Clc1ccc2c(c1)ncnc2N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164627772 719071116 /nfs/dbraw/zinc/07/11/16/719071116.db2.gz QPOCWDCAOAPMDM-LAUBAEHRSA-N 1 0 378.907 4.384 20 0 GIADRO CC(C)(C)OC(=O)c1ccc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1 ZINC001164623648 719077163 /nfs/dbraw/zinc/07/71/63/719077163.db2.gz KBPRBTUWRCGXKG-RTWAWAEBSA-N 1 0 393.531 4.138 20 0 GIADRO Clc1ccc2c(cnnc2N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001164626604 719080962 /nfs/dbraw/zinc/08/09/62/719080962.db2.gz OSKQEFBNGAXNQW-UTKZUKDTSA-N 1 0 378.907 4.384 20 0 GIADRO c1ccc(C[N@H+]2C[C@H]3[C@H](C2)CCCN3c2ncnc3[nH]c4ccccc4c32)cc1 ZINC001164629863 719083159 /nfs/dbraw/zinc/08/31/59/719083159.db2.gz ZOYGTCRZHYAYAA-RXVVDRJESA-N 1 0 383.499 4.212 20 0 GIADRO Clc1ccnc2nc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)ccc12 ZINC001164628878 719084222 /nfs/dbraw/zinc/08/42/22/719084222.db2.gz UEWIOCFUQMYGCR-PXNSSMCTSA-N 1 0 378.907 4.384 20 0 GIADRO Cc1cc(C(F)(F)N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c(Cl)nn1 ZINC001164622670 719099181 /nfs/dbraw/zinc/09/91/81/719099181.db2.gz CFKCLHCEYQNIMU-SJLPKXTDSA-N 1 0 392.881 4.084 20 0 GIADRO Fc1ccc(-c2ccc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)nn2)cc1 ZINC001164625166 719100736 /nfs/dbraw/zinc/10/07/36/719100736.db2.gz GXZWGFICYPTFJJ-OFNKIYASSA-N 1 0 388.490 4.384 20 0 GIADRO c1ccc(Cc2nccc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)n2)cc1 ZINC001164629862 719103490 /nfs/dbraw/zinc/10/34/90/719103490.db2.gz TYZHIULCJHTMAO-XZOQPEGZSA-N 1 0 384.527 4.168 20 0 GIADRO c1cc(-c2ccc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)nn2)cs1 ZINC001164630076 719108452 /nfs/dbraw/zinc/10/84/52/719108452.db2.gz UWPRJAGCQPNDEM-WIYYLYMNSA-N 1 0 376.529 4.306 20 0 GIADRO COc1cc(Cl)cc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)n1 ZINC001164692871 719808070 /nfs/dbraw/zinc/80/80/70/719808070.db2.gz NGEYPIXGTQJUAM-UHFFFAOYSA-N 1 0 392.956 4.144 20 0 GIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(C)c(Cl)c(C)n2)CC3)cs1 ZINC001164692619 719810558 /nfs/dbraw/zinc/81/05/58/719810558.db2.gz LRCMCTUFOQACGW-UHFFFAOYSA-N 1 0 391.972 4.147 20 0 GIADRO CSCc1ccc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)nc1 ZINC001164691574 719815331 /nfs/dbraw/zinc/81/53/31/719815331.db2.gz HULCJCUWCVVSNK-UHFFFAOYSA-N 1 0 388.606 4.345 20 0 GIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(Cl)nc3ccsc31)C2 ZINC001164814230 720099070 /nfs/dbraw/zinc/09/90/70/720099070.db2.gz WFSUYEJDHIXMEA-MGPUTAFESA-N 1 0 391.968 4.134 20 0 GIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(Cl)nc3ccsc31)C2 ZINC001164814232 720099626 /nfs/dbraw/zinc/09/96/26/720099626.db2.gz WFSUYEJDHIXMEA-QRWLVFNGSA-N 1 0 391.968 4.134 20 0 GIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc3ccc(Cl)cc3n1)C2 ZINC001164811131 720139253 /nfs/dbraw/zinc/13/92/53/720139253.db2.gz LOJBYDJLJKLDKU-PGRDOPGGSA-N 1 0 385.939 4.073 20 0 GIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)cc3ccc(C)cc31)C2 ZINC001164814383 720145062 /nfs/dbraw/zinc/14/50/62/720145062.db2.gz SDLUXIDKCOFLJA-CVDCTZTESA-N 1 0 399.966 4.381 20 0 GIADRO Cc1ccc2cc(Cl)nc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c2c1 ZINC001164731603 720410694 /nfs/dbraw/zinc/41/06/94/720410694.db2.gz MCPGITKMMGONDH-UXHICEINSA-N 1 0 378.907 4.445 20 0 GIADRO Fc1cccc2cc(Cl)nc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c12 ZINC001164731120 720488671 /nfs/dbraw/zinc/48/86/71/720488671.db2.gz VUIDHQJQUBMLDD-QZTJIDSGSA-N 1 0 382.870 4.276 20 0 GIADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2cc(-c3ccccc3)c3ccccc3n2)C1 ZINC001164734631 720523267 /nfs/dbraw/zinc/52/32/67/720523267.db2.gz RJJDERXGBLSYPJ-IBGZPJMESA-N 1 0 397.526 4.296 20 0 GIADRO Cc1ccc2ccnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)c2c1 ZINC001164838050 720542728 /nfs/dbraw/zinc/54/27/28/720542728.db2.gz NRBRDHILBLFUDO-FUPPJEDESA-N 1 0 389.547 4.118 20 0 GIADRO Cc1c(Cl)ccc2ccc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)nc21 ZINC001164736356 720575586 /nfs/dbraw/zinc/57/55/86/720575586.db2.gz KHBDZFHCPKTBCG-UHFFFAOYSA-N 1 0 395.938 4.052 20 0 GIADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc3occc3n1)CC2 ZINC001164841272 720696056 /nfs/dbraw/zinc/69/60/56/720696056.db2.gz IRJUCPWKGQWINP-IBGZPJMESA-N 1 0 377.488 4.088 20 0 GIADRO CSc1cccc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164836456 720709283 /nfs/dbraw/zinc/70/92/83/720709283.db2.gz AWJPSHGXCJXRED-LJQANCHMSA-N 1 0 383.561 4.063 20 0 GIADRO CCCCc1cc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)ncn1 ZINC001164836973 720723636 /nfs/dbraw/zinc/72/36/36/720723636.db2.gz CEUFNZOUIWOXKT-JOCHJYFZSA-N 1 0 394.563 4.079 20 0 GIADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCOC[C@@H]2c2csc(C)n2)nc1 ZINC001164745461 720865037 /nfs/dbraw/zinc/86/50/37/720865037.db2.gz DPLJJIRKYDWTLP-VQTJNVASSA-N 1 0 386.565 4.361 20 0 GIADRO Cc1cc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)nc2c(C)cccc12 ZINC001164859889 720927215 /nfs/dbraw/zinc/92/72/15/720927215.db2.gz QHEZDAOHJNRWQV-SFHVURJKSA-N 1 0 377.536 4.470 20 0 GIADRO Cc1cc(Cl)ncc1C(F)(F)N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001164859919 720962877 /nfs/dbraw/zinc/96/28/77/720962877.db2.gz OLYAYAARBJJHFH-CQSZACIVSA-N 1 0 397.901 4.206 20 0 GIADRO COc1ccc2nc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@@H]3C)cc(C)c2c1 ZINC001164859177 720963246 /nfs/dbraw/zinc/96/32/46/720963246.db2.gz KTPTUQJTVZKUHG-KRWDZBQOSA-N 1 0 393.535 4.170 20 0 GIADRO Fc1ccc2nc(Cl)cc(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)c2c1 ZINC001164787516 721401116 /nfs/dbraw/zinc/40/11/16/721401116.db2.gz POKVYXJYJQHADW-BETUJISGSA-N 1 0 388.899 4.052 20 0 GIADRO FC1(F)CCN(c2ccc3c(n2)CCCC3)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164907933 721699652 /nfs/dbraw/zinc/69/96/52/721699652.db2.gz WSDNYWMWXBABIT-JOCHJYFZSA-N 1 0 398.501 4.093 20 0 GIADRO Fc1cnc(Cl)cc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164907515 721701402 /nfs/dbraw/zinc/70/14/02/721701402.db2.gz VCGGLKPQQAYHLP-GOSISDBHSA-N 1 0 396.844 4.007 20 0 GIADRO Cc1cccc2ncc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)nc12 ZINC001165026414 721809673 /nfs/dbraw/zinc/80/96/73/721809673.db2.gz PWKRXBJBINDMCC-RCZSKKKRSA-N 1 0 387.531 4.070 20 0 GIADRO Cc1nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc2ccccc12 ZINC001165027365 721809700 /nfs/dbraw/zinc/80/97/00/721809700.db2.gz UJYWKCYHXZLFCQ-HARLFGEKSA-N 1 0 387.531 4.070 20 0 GIADRO Cc1cc2ncnc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c2s1 ZINC001165024885 721820518 /nfs/dbraw/zinc/82/05/18/721820518.db2.gz KUICLRLRPXKJAW-HQRMLTQVSA-N 1 0 393.560 4.132 20 0 GIADRO Cc1csc2cnc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)nc12 ZINC001165020755 721821079 /nfs/dbraw/zinc/82/10/79/721821079.db2.gz DPFFFOUQJVRTTC-WDSOQIARSA-N 1 0 393.560 4.132 20 0 GIADRO CSc1cnc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c(C)c1 ZINC001165028978 721821789 /nfs/dbraw/zinc/82/17/89/721821789.db2.gz WCCVDYVWUSASRT-WMQCIHAUSA-N 1 0 382.577 4.244 20 0 GIADRO Cc1cc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc(C(C)(C)C)n1 ZINC001165019920 721825861 /nfs/dbraw/zinc/82/58/61/721825861.db2.gz CNDXLMZVNVOPLL-CEWLAPEOSA-N 1 0 393.579 4.214 20 0 GIADRO Cc1cc2c(ccnc2N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)o1 ZINC001165024034 721826370 /nfs/dbraw/zinc/82/63/70/721826370.db2.gz JJWSVXGUXSSPKJ-DZFGPLHGSA-N 1 0 376.504 4.268 20 0 GIADRO CSCc1ccc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc1 ZINC001165022201 721827723 /nfs/dbraw/zinc/82/77/23/721827723.db2.gz GQCVOZOOTAKBLQ-TYPHKJRUSA-N 1 0 382.577 4.077 20 0 GIADRO FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1CC[NH+](C2CCCC2)CC1 ZINC001165032610 721859810 /nfs/dbraw/zinc/85/98/10/721859810.db2.gz TVFBUUKGQWWHGS-UHFFFAOYSA-N 1 0 392.881 4.407 20 0 GIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc5ccsc5cn4)CC3)C2)cc1 ZINC001164938617 721928017 /nfs/dbraw/zinc/92/80/17/721928017.db2.gz AWZWACAZOWCEDK-UHFFFAOYSA-N 1 0 393.556 4.476 20 0 GIADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CC[C@@H](c2ccncc2)C1 ZINC001165040818 721929837 /nfs/dbraw/zinc/92/98/37/721929837.db2.gz OXRVONZVUIPYFO-MRXNPFEDSA-N 1 0 390.865 4.046 20 0 GIADRO CN(CC1CC[NH+](C)CC1)C(F)(F)c1ccc2nc(Cl)c(Cl)nc2c1 ZINC001165041246 721934427 /nfs/dbraw/zinc/93/44/27/721934427.db2.gz MKKSQBUPIADUQA-UHFFFAOYSA-N 1 0 389.277 4.260 20 0 GIADRO COCc1nc2scc(-c3ccccc3)c2c(N(C)CC2CC[NH+](C)CC2)n1 ZINC000301206756 721938067 /nfs/dbraw/zinc/93/80/67/721938067.db2.gz SAFRVCXNZPHWEM-UHFFFAOYSA-N 1 0 396.560 4.283 20 0 GIADRO CN(CC1CC[NH+](C)CC1)c1cnc(Cl)nc1Oc1cccc(Cl)c1 ZINC001165043745 721939103 /nfs/dbraw/zinc/93/91/03/721939103.db2.gz FFOATCFLRKZZKG-UHFFFAOYSA-N 1 0 381.307 4.354 20 0 GIADRO c1ccc2nc(N3CCCC[C@H]3CC[NH+]3CCCC3)c(N3CCCC3)nc2c1 ZINC001165046622 721975005 /nfs/dbraw/zinc/97/50/05/721975005.db2.gz BJGNYHXMJUOIFG-IBGZPJMESA-N 1 0 379.552 4.075 20 0 GIADRO Cc1ccc(-c2nc3c(ncnc3N3CCCC[C@H]3CC[NH+]3CCCC3)o2)cc1 ZINC001165048800 721975866 /nfs/dbraw/zinc/97/58/66/721975866.db2.gz LGAVXNUOALOZEH-IBGZPJMESA-N 1 0 391.519 4.438 20 0 GIADRO Clc1ccc(-c2ccccc2)c(N2CC[NH+](CCc3ccccn3)CC2)n1 ZINC001165056529 722012785 /nfs/dbraw/zinc/01/27/85/722012785.db2.gz VEDTZPDHZFEYCX-UHFFFAOYSA-N 1 0 378.907 4.162 20 0 GIADRO Clc1nc2ccccc2nc1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164951696 722015656 /nfs/dbraw/zinc/01/56/56/722015656.db2.gz CGVQYZBKFQDHJQ-UHFFFAOYSA-N 1 0 393.922 4.171 20 0 GIADRO Clc1ccc2c(c1)ncnc2N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164952198 722016071 /nfs/dbraw/zinc/01/60/71/722016071.db2.gz JFIBQKRGLAXMFM-UHFFFAOYSA-N 1 0 393.922 4.171 20 0 GIADRO Cc1c(Cl)nc(C(C)C)nc1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164962664 722024091 /nfs/dbraw/zinc/02/40/91/722024091.db2.gz QRQCOJHFKKFUBF-UHFFFAOYSA-N 1 0 399.970 4.449 20 0 GIADRO CC(C)(c1ccnc(Cl)c1)[NH+]1CCC2(CC[C@H](C(=O)NCC3CC3)C2)CC1 ZINC001164984536 722092065 /nfs/dbraw/zinc/09/20/65/722092065.db2.gz WUMSSJXZWILIJN-KRWDZBQOSA-N 1 0 389.971 4.379 20 0 GIADRO c1ccc2c(c1)[C@@H]1CN(c3ccc(C[NH+]4CCCC4)cn3)C[C@@H]1[C@@H]2OCC1CC1 ZINC001164978790 722171265 /nfs/dbraw/zinc/17/12/65/722171265.db2.gz SHEXWJYTGGQBQG-SONWIMMPSA-N 1 0 389.543 4.379 20 0 GIADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2cc(Cl)nc(C4CC4)n2)C3)c1 ZINC001164993879 722193518 /nfs/dbraw/zinc/19/35/18/722193518.db2.gz IHBSFSUNJXLYAS-OAQYLSRUSA-N 1 0 386.902 4.391 20 0 GIADRO COc1ccc2ncnc(N3CCC[C@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)c2c1 ZINC001164994685 722195791 /nfs/dbraw/zinc/19/57/91/722195791.db2.gz OZWWLAABYXGYAH-QHCPKHFHSA-N 1 0 392.478 4.022 20 0 GIADRO Cc1cc2cccnc2c(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164995529 722211769 /nfs/dbraw/zinc/21/17/69/722211769.db2.gz JPKAKNCBJQHNRG-HSZRJFAPSA-N 1 0 376.479 4.322 20 0 GIADRO c1ccc(C[C@H]2[C@@H](OCC3CC3)CCN2c2ccc(C[NH+]3CCCC3)cn2)cc1 ZINC001165005714 722271873 /nfs/dbraw/zinc/27/18/73/722271873.db2.gz JCEXDBHRSQSQLF-ZEQRLZLVSA-N 1 0 391.559 4.294 20 0 GIADRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)Nc2nc(-c3ccccc3)c(C(C)C)s2)C1(C)C ZINC000187341559 823046062 /nfs/dbraw/zinc/04/60/62/823046062.db2.gz SQKJFQSQEYMFKU-QVKFZJNVSA-N 1 0 387.549 4.405 20 0 GIADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CC[C@@H](c2c(F)cccc2F)C1 ZINC000187345407 823046858 /nfs/dbraw/zinc/04/68/58/823046858.db2.gz OBUPOSDVIRQCFZ-MRXNPFEDSA-N 1 0 391.506 4.261 20 0 GIADRO C[C@H](CCCc1cccnc1)NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000458491520 823047157 /nfs/dbraw/zinc/04/71/57/823047157.db2.gz JZTLTHNMDJUUGN-QTEQDKRBSA-N 1 0 394.563 4.145 20 0 GIADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)N[C@@H](c3ccccc3)c3ccc(Cl)cc3)C[C@H]21 ZINC000570500982 823047234 /nfs/dbraw/zinc/04/72/34/823047234.db2.gz ABYWOHHCSOPPBB-WLRLJWMZSA-N 1 0 383.923 4.198 20 0 GIADRO C[C@H](CCCc1cccnc1)NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000458491522 823047243 /nfs/dbraw/zinc/04/72/43/823047243.db2.gz JZTLTHNMDJUUGN-VIZSFHNOSA-N 1 0 394.563 4.145 20 0 GIADRO C[NH+](C)Cc1cccc(C(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)c1 ZINC000187349834 823047553 /nfs/dbraw/zinc/04/75/53/823047553.db2.gz YLHMBAHGUVIHMN-UHFFFAOYSA-N 1 0 386.908 4.096 20 0 GIADRO C[C@@H](Cc1cccc(F)c1)N(C)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000458505322 823048681 /nfs/dbraw/zinc/04/86/81/823048681.db2.gz VXPWQVDUKJHZJI-KRWDZBQOSA-N 1 0 375.532 4.195 20 0 GIADRO Cc1csc([C@H](NC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)C2CC2)n1 ZINC000175825266 823048751 /nfs/dbraw/zinc/04/87/51/823048751.db2.gz WHBGFRFGWDNMLC-UYAOXDASSA-N 1 0 398.576 4.066 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)NC2CCC(C(F)F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000458509665 823049035 /nfs/dbraw/zinc/04/90/35/823049035.db2.gz WRWPCMGTAFZAMQ-HJZRJOMTSA-N 1 0 379.495 4.163 20 0 GIADRO C[C@H]1CCN(C(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)C[C@@H]1C[NH3+] ZINC000570519552 823049129 /nfs/dbraw/zinc/04/91/29/823049129.db2.gz HRVZILJBISXDRW-RYUDHWBXSA-N 1 0 398.359 4.103 20 0 GIADRO Clc1ccc(Cc2nnc(N3CCC[C@@H]([NH+]4CCCC4)CC3)n2C2CC2)cc1 ZINC000570523176 823049446 /nfs/dbraw/zinc/04/94/46/823049446.db2.gz LAGASGWAYURCLR-LJQANCHMSA-N 1 0 399.970 4.312 20 0 GIADRO CN(C(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1)[C@H]1CCC[N@H+](C)C1 ZINC000187362609 823049948 /nfs/dbraw/zinc/04/99/48/823049948.db2.gz IOMCHWPGYBMRMA-ZDUSSCGKSA-N 1 0 382.382 4.011 20 0 GIADRO O=C(Nc1ccc(SCC[NH+]2CCCCC2)cc1)c1cccc2[nH]c(=O)[nH]c21 ZINC000570527796 823050262 /nfs/dbraw/zinc/05/02/62/823050262.db2.gz SSYASDGYWQTKHC-UHFFFAOYSA-N 1 0 396.516 4.099 20 0 GIADRO CN1C(=O)CCc2cc(C[NH2+]Cc3cc4cc(Br)ccc4[nH]3)ccc21 ZINC000187364753 823050271 /nfs/dbraw/zinc/05/02/71/823050271.db2.gz XVENSHQZEPJYHF-UHFFFAOYSA-N 1 0 398.304 4.129 20 0 GIADRO Cc1cc(=O)oc2cc(OCC[N@@H+]3CCC[C@@H]3C[C@H](O)c3cccs3)ccc12 ZINC000175832199 823050385 /nfs/dbraw/zinc/05/03/85/823050385.db2.gz DUAZWEAGAIHBAX-APWZRJJASA-N 1 0 399.512 4.130 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+]CCOc2cccc(Br)c2)c1 ZINC000124337026 823588248 /nfs/dbraw/zinc/58/82/48/823588248.db2.gz LCWSLDFIEPACCC-ZDUSSCGKSA-N 1 0 377.282 4.137 20 0 GIADRO Clc1cccc(-c2nnc(C[N@@H+]3CCCN4c5ccccc5C[C@H]4C3)o2)c1 ZINC000570555306 823054087 /nfs/dbraw/zinc/05/40/87/823054087.db2.gz VUNCONOJLUSJNO-SFHVURJKSA-N 1 0 380.879 4.027 20 0 GIADRO Fc1ccc(Cn2cc(C[N@@H+]3CC[C@@H](COCc4ccccc4)C3)cn2)cc1 ZINC000187371165 823051448 /nfs/dbraw/zinc/05/14/48/823051448.db2.gz LOVOVRYRVYXYBV-OAQYLSRUSA-N 1 0 379.479 4.109 20 0 GIADRO Cc1ccc(C[NH2+][C@H]2CCN(Cc3ccccn3)C[C@@H]2C)cc1Br ZINC000120722165 823052328 /nfs/dbraw/zinc/05/23/28/823052328.db2.gz GTRZXKLUGBZEFD-JXFKEZNVSA-N 1 0 388.353 4.153 20 0 GIADRO Cc1csc([C@H](NC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)C2CC2)n1 ZINC000175841572 823052587 /nfs/dbraw/zinc/05/25/87/823052587.db2.gz KMXWYZSCEPOFQF-HXUWFJFHSA-N 1 0 398.576 4.209 20 0 GIADRO Cc1csc([C@H](NC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)C2CC2)n1 ZINC000175840471 823052632 /nfs/dbraw/zinc/05/26/32/823052632.db2.gz IYUUVVQRBXBPAF-PKOBYXMFSA-N 1 0 390.597 4.056 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC(=O)NCCC1=CC[NH2+]CC1 ZINC000570550120 823052637 /nfs/dbraw/zinc/05/26/37/823052637.db2.gz YNSADKHGECDTPH-MRXNPFEDSA-N 1 0 384.549 4.097 20 0 GIADRO Cc1ccc(C[NH2+]C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1 ZINC000187380182 823052867 /nfs/dbraw/zinc/05/28/67/823052867.db2.gz OZHSPTMWBXMMNR-UHFFFAOYSA-N 1 0 376.422 4.408 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)Cc3nc(-c4ccccc4)no3)C2)s1 ZINC000570553803 823053495 /nfs/dbraw/zinc/05/34/95/823053495.db2.gz OTVRGJCTNTXRBP-QGZVFWFLSA-N 1 0 382.533 4.060 20 0 GIADRO C[C@H](NC(=O)NC(C)(C)CCC[NH+](C)C)c1ccc(OCC2CC2)c(F)c1 ZINC000458549878 823054337 /nfs/dbraw/zinc/05/43/37/823054337.db2.gz UFZVJJVNASDQOS-HNNXBMFYSA-N 1 0 379.520 4.095 20 0 GIADRO Cn1c(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)nc2cc(Cl)ccc21 ZINC000175846262 823053826 /nfs/dbraw/zinc/05/38/26/823053826.db2.gz ONHNLBRJHFGGTQ-PBHICJAKSA-N 1 0 375.925 4.376 20 0 GIADRO C[N@H+](CCC1CCOCC1)Cc1ncc(-c2ccccc2Br)o1 ZINC000120759291 823058405 /nfs/dbraw/zinc/05/84/05/823058405.db2.gz VZTISWWEBYJJIM-UHFFFAOYSA-N 1 0 379.298 4.353 20 0 GIADRO O=C(C[C@H]1CCC[N@H+](C[C@@H]2CCC3(CCCC3)O2)C1)NCc1ccc(F)cc1 ZINC000570567108 823055543 /nfs/dbraw/zinc/05/55/43/823055543.db2.gz RCPFYWRQNVOSIK-CTNGQTDRSA-N 1 0 388.527 4.036 20 0 GIADRO C[N@H+](CCC1CCOCC1)CC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000120748705 823056533 /nfs/dbraw/zinc/05/65/33/823056533.db2.gz MUAALYJJCZVICD-UHFFFAOYSA-N 1 0 379.715 4.334 20 0 GIADRO CCCc1c(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)cnn1-c1ccc(C)cc1 ZINC000570579556 823056856 /nfs/dbraw/zinc/05/68/56/823056856.db2.gz FCYALQFZXDESAM-FQEVSTJZSA-N 1 0 395.551 4.225 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)c1ccc(Cl)c(F)c1)c1ncc(Br)cc1F ZINC000187407314 823057154 /nfs/dbraw/zinc/05/71/54/823057154.db2.gz QJAZYQJRLZPERZ-RTHLEPHNSA-N 1 0 391.643 4.160 20 0 GIADRO C[NH+](C)CCN(Cc1cccs1)C(=O)Nc1cccc(Br)c1 ZINC000175860294 823057196 /nfs/dbraw/zinc/05/71/96/823057196.db2.gz PHINEVSQRKDFQR-UHFFFAOYSA-N 1 0 382.327 4.106 20 0 GIADRO COc1ccc(F)cc1[C@@H](C)NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000175862768 823058057 /nfs/dbraw/zinc/05/80/57/823058057.db2.gz JJSRAOFOYARZQX-QGZVFWFLSA-N 1 0 399.510 4.201 20 0 GIADRO Cc1ccccc1C[C@H]([NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1)C1CC1 ZINC000570588075 823058103 /nfs/dbraw/zinc/05/81/03/823058103.db2.gz CJKHQSAVKNPBFO-YDHSSHFGSA-N 1 0 379.548 4.115 20 0 GIADRO C[C@H](c1ccccc1C(F)(F)F)[C@H](C)[NH2+][C@@H](C)C1CCS(=O)(=O)CC1 ZINC000187414251 823058929 /nfs/dbraw/zinc/05/89/29/823058929.db2.gz UPDMSUPDGAYDHM-IHRRRGAJSA-N 1 0 377.472 4.000 20 0 GIADRO C[C@H]([NH2+]CC1(c2ccc(Cl)cc2Cl)CCC1)C1CCS(=O)(=O)CC1 ZINC000187417111 823059432 /nfs/dbraw/zinc/05/94/32/823059432.db2.gz JFMVGMUZDHKENZ-ZDUSSCGKSA-N 1 0 390.376 4.218 20 0 GIADRO C[C@@H]([NH2+]CC1(c2ccc(Cl)cc2Cl)CCC1)C1CCS(=O)(=O)CC1 ZINC000187417131 823059439 /nfs/dbraw/zinc/05/94/39/823059439.db2.gz JFMVGMUZDHKENZ-CYBMUJFWSA-N 1 0 390.376 4.218 20 0 GIADRO C[NH+](C)C[C@H](NC(=O)[C@H]1C[C@H]1c1c(F)cccc1Cl)c1ccc(F)cc1 ZINC000570595241 823059499 /nfs/dbraw/zinc/05/94/99/823059499.db2.gz GNUIEXPXXOOZAX-VKJFTORMSA-N 1 0 378.850 4.141 20 0 GIADRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CC[C@H]1CCOC1 ZINC000175870134 823060002 /nfs/dbraw/zinc/06/00/02/823060002.db2.gz BNJXJRKPANILMC-HNNXBMFYSA-N 1 0 387.351 4.090 20 0 GIADRO CC(C)(C)[C@H](CO)[NH2+]CC(=O)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000570604860 823060912 /nfs/dbraw/zinc/06/09/12/823060912.db2.gz UBGQPERKSSCGHQ-SFHVURJKSA-N 1 0 376.884 4.067 20 0 GIADRO Cc1cnc([C@H](NC(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)C2CC2)s1 ZINC000175874180 823061038 /nfs/dbraw/zinc/06/10/38/823061038.db2.gz PAYBRKIUCYPEQS-OXJNMPFZSA-N 1 0 398.576 4.209 20 0 GIADRO Cc1cnc([C@H](NC(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)C2CC2)s1 ZINC000175874216 823061142 /nfs/dbraw/zinc/06/11/42/823061142.db2.gz PAYBRKIUCYPEQS-OXQOHEQNSA-N 1 0 398.576 4.209 20 0 GIADRO Cc1cnc([C@@H](NC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)C2CC2)s1 ZINC000175883942 823063287 /nfs/dbraw/zinc/06/32/87/823063287.db2.gz SHJJBXCOINDXRZ-IBGZPJMESA-N 1 0 390.597 4.200 20 0 GIADRO COC[C@@H]([NH2+]CCCCn1cc(Br)cn1)c1cccc(Cl)c1 ZINC000570608513 823061663 /nfs/dbraw/zinc/06/16/63/823061663.db2.gz YPWWARMVBBVZIV-MRXNPFEDSA-N 1 0 386.721 4.057 20 0 GIADRO 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 823062912 /nfs/dbraw/zinc/06/29/12/823062912.db2.gz CLDVTBINEAIUPN-APWZRJJASA-N 1 0 388.556 4.174 20 0 GIADRO O=C(N1CC[C@H](C[NH+]2CCCCC2)C1)C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000187434053 823062962 /nfs/dbraw/zinc/06/29/62/823062962.db2.gz VTEMBMNTWRMBBM-MRXNPFEDSA-N 1 0 380.454 4.071 20 0 GIADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](c2ccc(F)cc2F)C(C)(C)C)cc1 ZINC000120804224 823067649 /nfs/dbraw/zinc/06/76/49/823067649.db2.gz XDDQONBNMQBDQH-ORAYPTAESA-N 1 0 396.503 4.311 20 0 GIADRO C[C@H](C[C@H](O)c1ccco1)[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000120786485 823063994 /nfs/dbraw/zinc/06/39/94/823063994.db2.gz ZVGQDSLIGYGZBZ-XUJVJEKNSA-N 1 0 385.245 4.047 20 0 GIADRO CC1CC[NH+](CCc2cccc(NC[C@@H](O)COCc3cccs3)c2)CC1 ZINC000570626935 823064080 /nfs/dbraw/zinc/06/40/80/823064080.db2.gz ODNCIYZILITZIA-OAQYLSRUSA-N 1 0 388.577 4.012 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000458618946 823064601 /nfs/dbraw/zinc/06/46/01/823064601.db2.gz SATXFAGOZJADIG-IBGZPJMESA-N 1 0 375.513 4.038 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)[C@H](C)c3nc(-c4cccnc4)no3)C2)s1 ZINC000570635696 823065069 /nfs/dbraw/zinc/06/50/69/823065069.db2.gz SHDGXARNBHKFLC-SJORKVTESA-N 1 0 397.548 4.016 20 0 GIADRO COc1ccc(C(=O)Nc2cccc(C[N@H+](C)CCc3ccccn3)c2)cc1 ZINC000120807411 823068096 /nfs/dbraw/zinc/06/80/96/823068096.db2.gz BQRPFRJRBWAPKX-UHFFFAOYSA-N 1 0 375.472 4.017 20 0 GIADRO C[C@@H](c1ccccn1)N(C)C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000187452388 823066099 /nfs/dbraw/zinc/06/60/99/823066099.db2.gz VTQPVUAKYAAIEI-KSSFIOAISA-N 1 0 394.441 4.106 20 0 GIADRO CC(C)N(C)c1cccc(NC(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)c1 ZINC000120799846 823066619 /nfs/dbraw/zinc/06/66/19/823066619.db2.gz JPYCXYYFKYHKRS-GOSISDBHSA-N 1 0 395.551 4.273 20 0 GIADRO CCOc1cccc2cc([C@H](C)[NH2+]CCn3cc(Br)cn3)oc21 ZINC000570648110 823066840 /nfs/dbraw/zinc/06/68/40/823066840.db2.gz KICDFRPXQODULQ-LBPRGKRZSA-N 1 0 378.270 4.141 20 0 GIADRO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)C1 ZINC000120802173 823067144 /nfs/dbraw/zinc/06/71/44/823067144.db2.gz GSNLFWYANWFLGK-QKNQBKEWSA-N 1 0 388.552 4.391 20 0 GIADRO O=C(C[C@H]1CCCc2ccccc21)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000175900576 823067524 /nfs/dbraw/zinc/06/75/24/823067524.db2.gz HMWSBFAQVYUOEZ-JOCHJYFZSA-N 1 0 392.543 4.340 20 0 GIADRO CCc1cnccc1[C@H](C)NC(=O)NC[C@@H](c1ccc(SC)cc1)[NH+](C)C ZINC000458633492 823067499 /nfs/dbraw/zinc/06/74/99/823067499.db2.gz WQFDWZWXOVIYFK-YWZLYKJASA-N 1 0 386.565 4.029 20 0 GIADRO CC[C@H](CC(F)(F)F)NC(=O)NC[C@H](c1ccc(SC)cc1)[NH+](C)C ZINC000458638785 823068187 /nfs/dbraw/zinc/06/81/87/823068187.db2.gz ATYRQXULHURDOE-UKRRQHHQSA-N 1 0 377.476 4.041 20 0 GIADRO CCC(CC)c1cc(CNC(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)on1 ZINC000175905354 823068733 /nfs/dbraw/zinc/06/87/33/823068733.db2.gz NIYLNDXFXQDLCQ-GOSISDBHSA-N 1 0 390.572 4.232 20 0 GIADRO C[C@H](N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(N2CCOC2=O)cc1 ZINC000120810287 823068745 /nfs/dbraw/zinc/06/87/45/823068745.db2.gz OHTBMYZDKOHTDF-AVRDEDQJSA-N 1 0 379.504 4.131 20 0 GIADRO Cc1oc2ccccc2c1CNC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458648308 823069651 /nfs/dbraw/zinc/06/96/51/823069651.db2.gz OUGUCTTXEMVDMJ-UHFFFAOYSA-N 1 0 397.441 4.299 20 0 GIADRO C[C@@H](N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000120814854 823069859 /nfs/dbraw/zinc/06/98/59/823069859.db2.gz HOBDBHYSMSSBKS-VGSWGCGISA-N 1 0 377.532 4.404 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)NCCC1CC(F)(F)C1)c1cccc(C(F)(F)F)c1 ZINC000458653630 823070176 /nfs/dbraw/zinc/07/01/76/823070176.db2.gz RRKIGQGTPKKHJO-OAHLLOKOSA-N 1 0 393.400 4.043 20 0 GIADRO CC[C@H]1CCCC[C@@H]1[N@H+](C)Cc1nc(-c2cc(OC)c(OC)c(OC)c2)no1 ZINC000120818319 823070384 /nfs/dbraw/zinc/07/03/84/823070384.db2.gz KVGOVKMBJYRWGL-HOCLYGCPSA-N 1 0 389.496 4.163 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)N[C@H](c2ccc(F)cc2)[C@H]2CCCO2)cc1 ZINC000055946209 823070549 /nfs/dbraw/zinc/07/05/49/823070549.db2.gz MJRADFNNFVDTJB-FGZHOGPDSA-N 1 0 384.495 4.318 20 0 GIADRO O[C@H](C[NH2+][C@@H]1C[C@H]1c1ccccc1C(F)(F)F)COc1cccc2[nH]ccc21 ZINC000570675412 823070941 /nfs/dbraw/zinc/07/09/41/823070941.db2.gz LBGLUCVLEYEFDA-ACWOFJMJSA-N 1 0 390.405 4.072 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@@H](c2ccc(F)cc2F)C(C)C)ccc1S(C)(=O)=O ZINC000120826536 823072252 /nfs/dbraw/zinc/07/22/52/823072252.db2.gz SZVHQPOAIFPXEV-RNODOKPDSA-N 1 0 397.487 4.425 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)c2ccc3nccnc3c2)CC1 ZINC000570676867 823071020 /nfs/dbraw/zinc/07/10/20/823071020.db2.gz JIGARZHVVBOMGO-UHFFFAOYSA-N 1 0 396.878 4.009 20 0 GIADRO Cc1cccc(-c2cccc(CNC(=O)[C@@H]([NH2+]C3CCOCC3)C(C)C)c2)c1 ZINC000175913952 823071105 /nfs/dbraw/zinc/07/11/05/823071105.db2.gz HAPNDTBXSJONFH-QHCPKHFHSA-N 1 0 380.532 4.071 20 0 GIADRO O=C(CCCN1CCC[C@H]1C[NH+]1CCCCC1)c1ccc(Br)cc1 ZINC000570688124 823071833 /nfs/dbraw/zinc/07/18/33/823071833.db2.gz RSVMVVCYEAMIPZ-IBGZPJMESA-N 1 0 393.369 4.362 20 0 GIADRO Cc1csc([C@@H](NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C2CC2)n1 ZINC000175919903 823072696 /nfs/dbraw/zinc/07/26/96/823072696.db2.gz SNYNFIXWSPJDAD-FQEVSTJZSA-N 1 0 398.576 4.114 20 0 GIADRO Cc1nc(CSc2ccc(C(=O)N3CC4CCC3(C[NH3+])CC4)cc2)cs1 ZINC000570692717 823072843 /nfs/dbraw/zinc/07/28/43/823072843.db2.gz SKDCBKPEZYREFW-UHFFFAOYSA-N 1 0 387.574 4.087 20 0 GIADRO C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000570693679 823072905 /nfs/dbraw/zinc/07/29/05/823072905.db2.gz GDLWUXRHNTUKCA-IIBYNOLFSA-N 1 0 386.923 4.046 20 0 GIADRO COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H]2CN(Cc3ccccc3)CCCO2)cc1 ZINC000570704222 823073733 /nfs/dbraw/zinc/07/37/33/823073733.db2.gz NRNXQOSPJTUKSZ-REHUZNOOSA-N 1 0 382.548 4.068 20 0 GIADRO C[C@@H](NC(=O)N1CC(c2cccc(Cl)c2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000458683438 823073812 /nfs/dbraw/zinc/07/38/12/823073812.db2.gz OZILREIKBKQAEP-XLIONFOSSA-N 1 0 397.950 4.359 20 0 GIADRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1ccc(Cl)nc1C ZINC000120839790 823074517 /nfs/dbraw/zinc/07/45/17/823074517.db2.gz NNVHOBIKSNKKMH-UHFFFAOYSA-N 1 0 375.925 4.153 20 0 GIADRO CC1(C)OCc2cc(C[NH+]3CCC(n4ccc(C(F)(F)F)n4)CC3)ccc2O1 ZINC000187505390 823077015 /nfs/dbraw/zinc/07/70/15/823077015.db2.gz DGFPOJZWITWEOE-UHFFFAOYSA-N 1 0 395.425 4.384 20 0 GIADRO C[C@@H](CNc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)c1cccc(Cl)c1 ZINC000187495686 823074996 /nfs/dbraw/zinc/07/49/96/823074996.db2.gz QKNDVGHDUMGXCC-INIZCTEOSA-N 1 0 385.939 4.253 20 0 GIADRO Cc1noc(C)c1CCCNC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000120847347 823075902 /nfs/dbraw/zinc/07/59/02/823075902.db2.gz OUGYPXKLAHBSRK-QGZVFWFLSA-N 1 0 398.551 4.098 20 0 GIADRO C/C=C/c1ccc(OC[C@H](O)C[NH2+][C@@H](c2ncccc2C)C(C)C)c(OC)c1 ZINC000120848881 823076228 /nfs/dbraw/zinc/07/62/28/823076228.db2.gz QLDPDLWLGBLVIS-JZJAWGSMSA-N 1 0 384.520 4.158 20 0 GIADRO COc1ccc(-c2nc3c(s2)[C@H]([NH2+]Cc2ncccc2N(C)C)CCC3)cc1 ZINC000570733014 823077801 /nfs/dbraw/zinc/07/78/01/823077801.db2.gz ACKHGHBLJSGFAG-QGZVFWFLSA-N 1 0 394.544 4.447 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)N(C)[C@H](C)c2ccccc2Br)CC1 ZINC000175957132 823081903 /nfs/dbraw/zinc/08/19/03/823081903.db2.gz MAJQZXBUUMKSAA-OAHLLOKOSA-N 1 0 396.373 4.274 20 0 GIADRO CCC(=O)Nc1cccc(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)c1 ZINC000056042594 823081533 /nfs/dbraw/zinc/08/15/33/823081533.db2.gz JCQPOMWVKKQAKI-UHFFFAOYSA-N 1 0 379.504 4.316 20 0 GIADRO C[N@H+](CCCNC(=O)c1ccccc1NCc1cccnc1)C1CCCCC1 ZINC000175943315 823078371 /nfs/dbraw/zinc/07/83/71/823078371.db2.gz OMESSLRTQLNCHS-UHFFFAOYSA-N 1 0 380.536 4.078 20 0 GIADRO Cc1ccc(-c2n[nH]cc2C[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)o1 ZINC000120867334 823079528 /nfs/dbraw/zinc/07/95/28/823079528.db2.gz LRCHIBYEHFZEFX-UHFFFAOYSA-N 1 0 384.911 4.386 20 0 GIADRO Cc1ccc(-c2c[nH]cc2C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000187520246 823080162 /nfs/dbraw/zinc/08/01/62/823080162.db2.gz UJRIOODPCSRYCR-UHFFFAOYSA-N 1 0 380.517 4.093 20 0 GIADRO 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 823080269 /nfs/dbraw/zinc/08/02/69/823080269.db2.gz NEJCSJSEBWVJJJ-QFHJOOASSA-N 1 0 397.485 4.269 20 0 GIADRO OC[C@]1(Cc2ccc(F)cc2)CC[N@H+](Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000570758053 823081817 /nfs/dbraw/zinc/08/18/17/823081817.db2.gz NZTPCXDXNKQXRV-QFIPXVFZSA-N 1 0 384.426 4.047 20 0 GIADRO Cc1cc(C)c(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1Br ZINC000187523768 823081035 /nfs/dbraw/zinc/08/10/35/823081035.db2.gz UCXFAGDWWBFPIF-OAHLLOKOSA-N 1 0 380.330 4.016 20 0 GIADRO CC[C@@H](C)[NH2+][C@H](CNC(=O)N(C)[C@H]1C[C@H](c2cccc(OC)c2)C1)c1ccco1 ZINC000458750213 823081178 /nfs/dbraw/zinc/08/11/78/823081178.db2.gz BGYKGWVHJNWKCM-XLBJILASSA-N 1 0 399.535 4.305 20 0 GIADRO COc1ccc(C[C@@H](C)C[NH2+][C@H](c2cnn(C)c2)c2ccc(F)cc2)cc1F ZINC000187527458 823082177 /nfs/dbraw/zinc/08/21/77/823082177.db2.gz MBRBWNKKUHYBME-QRQCRPRQSA-N 1 0 385.458 4.265 20 0 GIADRO Cc1cccnc1[C@@H]([NH2+]CC(=O)Nc1ccnn1CC1CCCCC1)C(C)C ZINC000120888451 823082567 /nfs/dbraw/zinc/08/25/67/823082567.db2.gz CMMVCDJIJFTLPQ-NRFANRHFSA-N 1 0 383.540 4.092 20 0 GIADRO Cc1coc(-c2ccc(C)c(NC(=O)NCc3cccc(C[NH+](C)C)c3)c2)n1 ZINC000120919241 823086663 /nfs/dbraw/zinc/08/66/63/823086663.db2.gz RWJMVNRWQZUCCK-UHFFFAOYSA-N 1 0 378.476 4.342 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Cc2noc3ccc(F)cc32)C1 ZINC000570783645 823086733 /nfs/dbraw/zinc/08/67/33/823086733.db2.gz OHUHLPNKRKDUSL-MRXNPFEDSA-N 1 0 395.478 4.058 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N(C)CCOCc2ccccc2)CC1 ZINC000120895602 823083351 /nfs/dbraw/zinc/08/33/51/823083351.db2.gz ADKFUPNRQWHINO-FQEVSTJZSA-N 1 0 395.547 4.070 20 0 GIADRO COc1ccc2oc([C@@H](C)NC(=O)Nc3ccc4c(c3)C[NH2+]CCO4)c(C)c2c1 ZINC000570783635 823086875 /nfs/dbraw/zinc/08/68/75/823086875.db2.gz OFVNPRWKNSGSFR-CQSZACIVSA-N 1 0 395.459 4.115 20 0 GIADRO C[NH+](C)CCN(Cc1cccs1)C(=O)Nc1cccc(COCC2CC2)c1 ZINC000175968043 823084321 /nfs/dbraw/zinc/08/43/21/823084321.db2.gz AKSHRUBSQOLZKJ-UHFFFAOYSA-N 1 0 387.549 4.270 20 0 GIADRO CCn1ncc2ccc(NC(=O)N(CC[NH+](CC)CC)CCC(F)(F)F)cc21 ZINC000175971581 823085120 /nfs/dbraw/zinc/08/51/20/823085120.db2.gz XFYDHJALSZUSCO-UHFFFAOYSA-N 1 0 399.461 4.184 20 0 GIADRO CCOc1ccc2c(c1)[C@@H](NC(=O)c1oc3ccccc3c1C[NH+](C)C)CCO2 ZINC000187542450 823085634 /nfs/dbraw/zinc/08/56/34/823085634.db2.gz AAMAGRBDTDBXFG-IBGZPJMESA-N 1 0 394.471 4.147 20 0 GIADRO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000570785428 823087043 /nfs/dbraw/zinc/08/70/43/823087043.db2.gz VHJQZJUGQPALBT-KNQAVFIVSA-N 1 0 396.531 4.220 20 0 GIADRO CC(C)[NH+]1CCC(NC(=O)CCc2cc(Cl)ccc2Br)CC1 ZINC000175974353 823086064 /nfs/dbraw/zinc/08/60/64/823086064.db2.gz BPEMXZZIPFBSCO-UHFFFAOYSA-N 1 0 387.749 4.024 20 0 GIADRO COc1ccc(NC(=O)c2nnc(C[NH2+][C@@H]3CCC(C)(C)C[C@@H]3C)s2)cc1 ZINC000120915207 823086232 /nfs/dbraw/zinc/08/62/32/823086232.db2.gz UBNHCPQFUWGSQE-XJKSGUPXSA-N 1 0 388.537 4.103 20 0 GIADRO CC(C)c1oc([C@H]2CCCN2C(=O)NCC[C@H]2CCC[NH2+]2)nc1-c1ccccc1 ZINC000570785998 823087233 /nfs/dbraw/zinc/08/72/33/823087233.db2.gz QVDUZXGHASSQPD-RTBURBONSA-N 1 0 396.535 4.454 20 0 GIADRO C[C@H](C[C@H](O)c1ccco1)[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000120921076 823087216 /nfs/dbraw/zinc/08/72/16/823087216.db2.gz QOCQENMUUDIKEQ-WQVCFCJDSA-N 1 0 380.282 4.358 20 0 GIADRO O=C([C@@H]1CCCC[N@@H+]1Cc1ccccc1)N1CCC([C@H](O)c2ccccc2)CC1 ZINC000120923649 823087433 /nfs/dbraw/zinc/08/74/33/823087433.db2.gz DEUMWCKRWRDMPO-BJKOFHAPSA-N 1 0 392.543 4.013 20 0 GIADRO Cc1ccc([C@@H]([NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)C2CCC2)cc1 ZINC000187553758 823087526 /nfs/dbraw/zinc/08/75/26/823087526.db2.gz UMBWGCQCRFNZST-QFIPXVFZSA-N 1 0 384.545 4.166 20 0 GIADRO CCOC(=O)N1CCC([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc3ccccc32)CC1 ZINC000187556656 823087835 /nfs/dbraw/zinc/08/78/35/823087835.db2.gz NNBJAKWWSGDNKR-IRXDYDNUSA-N 1 0 397.519 4.013 20 0 GIADRO C/C(=C\C(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1)c1cccc(Cl)c1 ZINC000175980932 823087866 /nfs/dbraw/zinc/08/78/66/823087866.db2.gz PVMDSWQRCXZTQU-FBMGVBCBSA-N 1 0 397.950 4.304 20 0 GIADRO CC(C)Oc1ccc(F)cc1NC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000175980693 823087941 /nfs/dbraw/zinc/08/79/41/823087941.db2.gz ULSDSTLDQQAIHM-UHFFFAOYSA-N 1 0 379.501 4.270 20 0 GIADRO CCC[C@H](C[NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1)c1ccccc1 ZINC000187559240 823088299 /nfs/dbraw/zinc/08/82/99/823088299.db2.gz AZHBNFGOVUCRHZ-LJQANCHMSA-N 1 0 390.524 4.039 20 0 GIADRO Cc1ccc(C)c(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(NC(=O)NC3CC3)cc2)c1 ZINC000056159741 823092351 /nfs/dbraw/zinc/09/23/51/823092351.db2.gz XPUCZVGLUOFQOQ-IAGOWNOFSA-N 1 0 394.519 4.265 20 0 GIADRO C[C@@H]1CN(c2cc(F)cc(NC3CC[NH+](C4CCCC4)CC3)c2)C[C@H](C)O1 ZINC000570808696 823089788 /nfs/dbraw/zinc/08/97/88/823089788.db2.gz VZYKTOBBVISNMC-CALCHBBNSA-N 1 0 375.532 4.258 20 0 GIADRO COc1cc(C)c([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(F)cc2Cl)cc1OC ZINC000056154174 823090854 /nfs/dbraw/zinc/09/08/54/823090854.db2.gz BNLFOHYHHRLIPD-CHWSQXEVSA-N 1 0 394.874 4.483 20 0 GIADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCC[C@@H](c1ccccc1)C(F)(F)F ZINC000458820320 823091688 /nfs/dbraw/zinc/09/16/88/823091688.db2.gz QPIHJGRKWJTXTF-YJBOKZPZSA-N 1 0 385.474 4.094 20 0 GIADRO CCN(CCC[NH+]1CCCC1)C(=O)NCC[C@@H](c1ccccc1)C(F)(F)F ZINC000458819824 823091836 /nfs/dbraw/zinc/09/18/36/823091836.db2.gz PSQFBWZVIBTSEX-SFHVURJKSA-N 1 0 385.474 4.240 20 0 GIADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2c(F)cccc2Br)C1 ZINC000176004420 823093110 /nfs/dbraw/zinc/09/31/10/823093110.db2.gz WCPGYNVJEXJSIH-ZIAGYGMSSA-N 1 0 385.321 4.076 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)Nc2ccc3c(cc(C)c(=O)n3C)c2)cc1)C1CC1 ZINC000570834934 823093283 /nfs/dbraw/zinc/09/32/83/823093283.db2.gz PRCDKODCELZYCP-UHFFFAOYSA-N 1 0 389.499 4.084 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(OC(C)C)cc2)c1 ZINC000056163527 823093828 /nfs/dbraw/zinc/09/38/28/823093828.db2.gz MEKPPBFRHWJWGF-JKSUJKDBSA-N 1 0 383.492 4.110 20 0 GIADRO CCc1nnc(-c2ccc(NC(=O)NC3CC[NH+](CC4CCCC4)CC3)cc2)o1 ZINC000176021086 823097889 /nfs/dbraw/zinc/09/78/89/823097889.db2.gz QPZWBBRRLMVDKI-UHFFFAOYSA-N 1 0 397.523 4.075 20 0 GIADRO CC[NH+]1CCN(c2ccc(N[C@H](C)C(=O)Nc3cc(C)cc(C)c3)c(C)c2)CC1 ZINC000056170377 823095070 /nfs/dbraw/zinc/09/50/70/823095070.db2.gz VGMYERPRFTXKPN-HXUWFJFHSA-N 1 0 394.563 4.193 20 0 GIADRO NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+][C@@H](c1ccccc1)C1CCCC1)CCC2 ZINC000570862768 823097941 /nfs/dbraw/zinc/09/79/41/823097941.db2.gz OASPAMHBIJGUTE-YADHBBJMSA-N 1 0 384.545 4.233 20 0 GIADRO CCCN(C(=O)NCc1c(C)onc1CC)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000458838398 823095768 /nfs/dbraw/zinc/09/57/68/823095768.db2.gz HZLYFCGWICDQBZ-HXUWFJFHSA-N 1 0 398.551 4.132 20 0 GIADRO CC(=O)c1ccc(NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1C ZINC000570853089 823095789 /nfs/dbraw/zinc/09/57/89/823095789.db2.gz DXYKWAQHFQRAJH-SFTDATJTSA-N 1 0 391.515 4.183 20 0 GIADRO C[C@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)NCCCCC[NH+]1CCCC1 ZINC000458841189 823096034 /nfs/dbraw/zinc/09/60/34/823096034.db2.gz FSCVJEWRYRHWHF-FXAWDEMLSA-N 1 0 393.959 4.078 20 0 GIADRO CN(C)c1cccc([C@H]2CCCN2C(=O)NC2CC[NH+](C3CCCC3)CC2)c1 ZINC000176014457 823096264 /nfs/dbraw/zinc/09/62/64/823096264.db2.gz XNBILGPAFMOIMZ-JOCHJYFZSA-N 1 0 384.568 4.006 20 0 GIADRO CSc1ccc([C@H](CNC(=O)NC(C)(C)c2nc(C)cs2)[NH+](C)C)cc1 ZINC000458893293 823102710 /nfs/dbraw/zinc/10/27/10/823102710.db2.gz MHFNHUQMIKKGLR-INIZCTEOSA-N 1 0 392.594 4.011 20 0 GIADRO CSC1(CNC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)CC[NH+](C)CC1 ZINC000570866915 823098776 /nfs/dbraw/zinc/09/87/76/823098776.db2.gz HTDXLUDYZWNHGG-NRFANRHFSA-N 1 0 397.588 4.097 20 0 GIADRO CC(C)(CO)[C@H]([NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)c1ccccc1 ZINC000570889494 823102829 /nfs/dbraw/zinc/10/28/29/823102829.db2.gz YJPXJDOKAZMIPB-HNAYVOBHSA-N 1 0 398.330 4.083 20 0 GIADRO CCc1ccc([C@H](NC(=O)C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)c2cccs2)cc1 ZINC000570871904 823099583 /nfs/dbraw/zinc/09/95/83/823099583.db2.gz QQZPUAJLYGBXDJ-JTAQYXEDSA-N 1 0 398.572 4.160 20 0 GIADRO CCC[N@H+](C)[C@@H](CNC(=O)c1cc(-c2cccnc2)on1)c1ccc(Cl)cc1 ZINC000570874308 823100045 /nfs/dbraw/zinc/10/00/45/823100045.db2.gz XGTDLAFBGARVQB-IBGZPJMESA-N 1 0 398.894 4.203 20 0 GIADRO CCN(C(=O)NC[C@@H](c1ccc(SC)cc1)[NH+](C)C)[C@H](C)c1cccnc1 ZINC000458877108 823100456 /nfs/dbraw/zinc/10/04/56/823100456.db2.gz AUCNVJAOIBJISH-UZLBHIALSA-N 1 0 386.565 4.199 20 0 GIADRO CC[C@H](c1ccncc1)N(C)C(=O)NC[C@H](c1ccc(SC)cc1)[NH+](C)C ZINC000458878063 823100674 /nfs/dbraw/zinc/10/06/74/823100674.db2.gz BEDILUAWXPEJPC-WOJBJXKFSA-N 1 0 386.565 4.199 20 0 GIADRO CCN(C(=O)NC[C@@H](c1ccc(SC)cc1)[NH+](C)C)[C@H]1CCOC(C)(C)C1 ZINC000458878927 823100684 /nfs/dbraw/zinc/10/06/84/823100684.db2.gz BVMOIJBAPDWMAQ-HKUYNNGSSA-N 1 0 393.597 4.000 20 0 GIADRO COc1sc(C[NH2+][C@@H](C)c2ccc(OC)cc2OC)cc1Br ZINC000121002385 823100754 /nfs/dbraw/zinc/10/07/54/823100754.db2.gz GKRGVWXONDVPMC-JTQLQIEISA-N 1 0 386.311 4.387 20 0 GIADRO CSc1ccc([C@H](CNC(=O)N(C)Cc2sccc2C)[NH+](C)C)cc1 ZINC000458881395 823101019 /nfs/dbraw/zinc/10/10/19/823101019.db2.gz DHBKTARCBNFNAC-KRWDZBQOSA-N 1 0 377.579 4.223 20 0 GIADRO CSc1ccc([C@H](CNC(=O)N(Cc2ccco2)C(C)C)[NH+](C)C)cc1 ZINC000458885557 823101687 /nfs/dbraw/zinc/10/16/87/823101687.db2.gz GXDLAEFSGSDBBX-IBGZPJMESA-N 1 0 375.538 4.224 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(F)c1)c1cccc(OCc2ccccn2)c1 ZINC000056201320 823101964 /nfs/dbraw/zinc/10/19/64/823101964.db2.gz BLQPTDDLACKDGK-SJORKVTESA-N 1 0 393.462 4.478 20 0 GIADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCC[C@H](CCCc2ccccc2)C1 ZINC000121018187 823103575 /nfs/dbraw/zinc/10/35/75/823103575.db2.gz IVSCKSCLVCYTCH-GMAHTHKFSA-N 1 0 386.580 4.041 20 0 GIADRO CSc1ccc([C@H](CNC(=O)N2C[C@H](C)C[C@H]2c2cccnc2)[NH+](C)C)cc1 ZINC000458902640 823103713 /nfs/dbraw/zinc/10/37/13/823103713.db2.gz SUQPMIPSTWIPRQ-CZAAIQMYSA-N 1 0 398.576 4.199 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)[C@H](C)CC(F)F)c1ccc(C(F)(F)F)cc1 ZINC000411624505 823591968 /nfs/dbraw/zinc/59/19/68/823591968.db2.gz UCIZYHYBTISGHW-IUODEOHRSA-N 1 0 380.401 4.496 20 0 GIADRO CSc1ccc([C@H](CNC(=O)N2CCC(OC(C)(C)C)CC2)[NH+](C)C)cc1 ZINC000458904554 823104513 /nfs/dbraw/zinc/10/45/13/823104513.db2.gz URVMGDITGCJABT-IBGZPJMESA-N 1 0 393.597 4.000 20 0 GIADRO COc1ccc(C)cc1NC(=O)[C@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1ccccc1 ZINC000187647829 823104614 /nfs/dbraw/zinc/10/46/14/823104614.db2.gz GUUDTRYCQLZYOO-GHTZIAJQSA-N 1 0 382.504 4.231 20 0 GIADRO Cc1cccc(COc2ccc(CNC(=O)N(C)[C@@H]3CC[N@@H+](C)C[C@@H]3C)cc2)c1 ZINC000176044883 823105338 /nfs/dbraw/zinc/10/53/38/823105338.db2.gz QBNGQHYINXTWJE-WMZHIEFXSA-N 1 0 395.547 4.056 20 0 GIADRO CC(=O)c1cccc(NC(=O)[C@H](C)Nc2ccc(CC[NH+]3CCCCC3)cc2)c1 ZINC000056216216 823105595 /nfs/dbraw/zinc/10/55/95/823105595.db2.gz BDGZQNVLDPTQJD-SFHVURJKSA-N 1 0 393.531 4.357 20 0 GIADRO O=C(C1CC[NH+](Cc2ccc(OCc3ccccc3)cc2O)CC1)C(F)(F)F ZINC000187654052 823106084 /nfs/dbraw/zinc/10/60/84/823106084.db2.gz GGUPUCMKTYPIOD-UHFFFAOYSA-N 1 0 393.405 4.315 20 0 GIADRO COc1ccccc1C[C@H](C)[NH2+][C@@H]1CCCN([C@H](C)c2ccccc2F)C1=O ZINC000570914234 823106779 /nfs/dbraw/zinc/10/67/79/823106779.db2.gz QYRKDMXSRYYNHC-CSODHUTKSA-N 1 0 384.495 4.107 20 0 GIADRO CN(Cc1ccccc1C(F)(F)F)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000121037499 823106860 /nfs/dbraw/zinc/10/68/60/823106860.db2.gz RAWSUPYSPKXUKR-UHFFFAOYSA-N 1 0 379.426 4.109 20 0 GIADRO Cc1cccc2nc(C3CCN(C(=O)NC[C@@H](C)C[NH+]4CCCCC4)CC3)oc21 ZINC000187660240 823107541 /nfs/dbraw/zinc/10/75/41/823107541.db2.gz VGBDQFUBVMCKCQ-QGZVFWFLSA-N 1 0 398.551 4.147 20 0 GIADRO c1ccc(-n2c(SCCC[NH+]3CCCCC3)nnc2-c2ccncc2)cc1 ZINC000187660670 823107549 /nfs/dbraw/zinc/10/75/49/823107549.db2.gz JLPHMMYNVKKIAO-UHFFFAOYSA-N 1 0 379.533 4.297 20 0 GIADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC000570930655 823108768 /nfs/dbraw/zinc/10/87/68/823108768.db2.gz DAJHXOHYQQMMEK-YYWHXJBOSA-N 1 0 392.971 4.276 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(F)cc2OC2CCCC2)C1 ZINC000121051061 823109246 /nfs/dbraw/zinc/10/92/46/823109246.db2.gz ASHPQRQPGODXGO-INIZCTEOSA-N 1 0 377.504 4.343 20 0 GIADRO O=C(Nc1ccc2c(c1F)CC[NH2+]C2)N1CCCc2c3cccc(F)c3[nH]c2C1 ZINC000570938076 823110101 /nfs/dbraw/zinc/11/01/01/823110101.db2.gz SCXYWKCOUNFDOL-UHFFFAOYSA-N 1 0 396.441 4.072 20 0 GIADRO CCc1c(C(=O)Nc2cc(C[NH+](C)C)ccc2C)cnn1-c1ccccc1OC ZINC000187671406 823110240 /nfs/dbraw/zinc/11/02/40/823110240.db2.gz YHIIVPODUGTHBJ-UHFFFAOYSA-N 1 0 392.503 4.066 20 0 GIADRO Cc1nc(CSc2ccccc2C(=O)N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)cs1 ZINC000570973754 823113918 /nfs/dbraw/zinc/11/39/18/823113918.db2.gz COBVBLWQDNENEN-DLBZAZTESA-N 1 0 387.574 4.053 20 0 GIADRO CCc1ccccc1N(C(C)=O)c1nc(CN(C)[C@@H]2CCSC2)cs1 ZINC000121065624 823111675 /nfs/dbraw/zinc/11/16/75/823111675.db2.gz OCVLTKRMURGZEI-QGZVFWFLSA-N 1 0 375.563 4.327 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](c2ccc(F)c(Cl)c2)C2CC2)C[C@H]1C ZINC000458975184 823112404 /nfs/dbraw/zinc/11/24/04/823112404.db2.gz AROQGAPSUSVNHM-ACWOFJMJSA-N 1 0 381.923 4.444 20 0 GIADRO CCN(C(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1)[C@H]1CCOC(C)(C)C1 ZINC000458979527 823112988 /nfs/dbraw/zinc/11/29/88/823112988.db2.gz QXUUYJSVJQAMPU-FQEVSTJZSA-N 1 0 387.568 4.030 20 0 GIADRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1c(C)nn(Cc2ccc(Cl)cc2)c1C ZINC000570968896 823113247 /nfs/dbraw/zinc/11/32/47/823113247.db2.gz MFIGJAJPELDOOS-HNNXBMFYSA-N 1 0 390.959 4.052 20 0 GIADRO CCN(CCc1nccs1)[C@@H](C)C(=O)N(c1nccs1)C1CCCCC1 ZINC000121083432 823115194 /nfs/dbraw/zinc/11/51/94/823115194.db2.gz UGCOBONZPIOOAA-HNNXBMFYSA-N 1 0 392.594 4.218 20 0 GIADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1 ZINC000570991296 823116527 /nfs/dbraw/zinc/11/65/27/823116527.db2.gz ZDFJWUWPDAKJPW-KUHUBIRLSA-N 1 0 392.952 4.248 20 0 GIADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1 ZINC000570991290 823116689 /nfs/dbraw/zinc/11/66/89/823116689.db2.gz ZDFJWUWPDAKJPW-AUUYWEPGSA-N 1 0 392.952 4.248 20 0 GIADRO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1cc(C)nc(-c2ccc(Cl)cc2)n1 ZINC000570996129 823117525 /nfs/dbraw/zinc/11/75/25/823117525.db2.gz DJXYQFOWNOZHAV-GOSISDBHSA-N 1 0 386.927 4.052 20 0 GIADRO c1c(C[NH2+]C[C@H]2COc3ccccc32)c(-c2cccnc2)nn1-c1ccccc1 ZINC000571000678 823117872 /nfs/dbraw/zinc/11/78/72/823117872.db2.gz IOKXUMZZCXGSEZ-FQEVSTJZSA-N 1 0 382.467 4.200 20 0 GIADRO C[C@@H]([NH2+]CC1CCN(CC(F)(F)F)CC1)c1cccc(Br)c1 ZINC000187713243 823118535 /nfs/dbraw/zinc/11/85/35/823118535.db2.gz ZGPXGKPZLQIKNQ-GFCCVEGCSA-N 1 0 379.264 4.374 20 0 GIADRO C[NH+](C)CCC1CCN(C(=O)N[C@H](c2ccc(F)c(Cl)c2)C2CC2)CC1 ZINC000459027238 823118733 /nfs/dbraw/zinc/11/87/33/823118733.db2.gz WMJQQICFSNNUMV-IBGZPJMESA-N 1 0 381.923 4.304 20 0 GIADRO CSC1(C[NH2+]CCc2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)CC1 ZINC000571005939 823118836 /nfs/dbraw/zinc/11/88/36/823118836.db2.gz GGOWXWBITONCBM-UHFFFAOYSA-N 1 0 384.545 4.040 20 0 GIADRO C[C@H]1CN(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)[C@H]1c1ccccc1 ZINC000176100607 823120274 /nfs/dbraw/zinc/12/02/74/823120274.db2.gz RXUIOYQAUQAWQF-LAUBAEHRSA-N 1 0 383.561 4.363 20 0 GIADRO CCOc1c(Cl)cc(NC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)cc1Cl ZINC000571028389 823122278 /nfs/dbraw/zinc/12/22/78/823122278.db2.gz QHTXOVUGZVQXMY-CYBMUJFWSA-N 1 0 386.323 4.246 20 0 GIADRO Brc1ccc2c(c1)CCCC[C@@H]2[NH2+]CCc1cn2c(n1)SCC2 ZINC000571028462 823122282 /nfs/dbraw/zinc/12/22/82/823122282.db2.gz USKXVTXCUQZHMN-KRWDZBQOSA-N 1 0 392.366 4.351 20 0 GIADRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1CCO[C@H](c2cccs2)C1 ZINC000459076878 823124601 /nfs/dbraw/zinc/12/46/01/823124601.db2.gz PYFFZSZNCLRMHO-VJANTYMQSA-N 1 0 393.597 4.168 20 0 GIADRO CC(C)c1noc2ncc(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)cc21 ZINC000176111859 823123952 /nfs/dbraw/zinc/12/39/52/823123952.db2.gz ZZYSOMWOAZYOQN-VQIMIIECSA-N 1 0 392.503 4.129 20 0 GIADRO COC(=O)COc1ccc(C[N@H+](C)Cc2ccc(Cl)c3cccnc23)cc1 ZINC000187744684 823124003 /nfs/dbraw/zinc/12/40/03/823124003.db2.gz VGBXUBVTVYGPAO-UHFFFAOYSA-N 1 0 384.863 4.072 20 0 GIADRO C[C@@H]([NH2+]CC1=CCN(C(=O)OC(C)(C)C)CC1)c1nc2c(s1)CCCC2 ZINC000187749278 823124912 /nfs/dbraw/zinc/12/49/12/823124912.db2.gz WSIUUAJGEYLVDH-CQSZACIVSA-N 1 0 377.554 4.240 20 0 GIADRO O=C(CCCC1CCCCC1)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000571046163 823124993 /nfs/dbraw/zinc/12/49/93/823124993.db2.gz BEPXKYUGGXNPSF-UHFFFAOYSA-N 1 0 386.584 4.333 20 0 GIADRO 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 823125199 /nfs/dbraw/zinc/12/51/99/823125199.db2.gz DQIKWWHOCWXPGA-DJABAAGCSA-N 1 0 377.960 4.490 20 0 GIADRO C[C@H]([NH2+]CC1=CCN(C(=O)OC(C)(C)C)CC1)c1nc2c(s1)CCCC2 ZINC000187749261 823124846 /nfs/dbraw/zinc/12/48/46/823124846.db2.gz WSIUUAJGEYLVDH-AWEZNQCLSA-N 1 0 377.554 4.240 20 0 GIADRO CCc1noc(-c2ccc(CC[NH2+][C@H]3CCc4c3ccc(OC)c4F)cc2)n1 ZINC000571084691 823129937 /nfs/dbraw/zinc/12/99/37/823129937.db2.gz YHRKUGFCCXHHLF-SFHVURJKSA-N 1 0 381.451 4.266 20 0 GIADRO COc1ccccc1CSc1ccccc1NC(=O)NCC1CC[NH2+]CC1 ZINC000571055730 823125999 /nfs/dbraw/zinc/12/59/99/823125999.db2.gz WOUBEHHAPWSHPX-UHFFFAOYSA-N 1 0 385.533 4.109 20 0 GIADRO CC(C)Oc1cccc([C@H](C)[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000121147909 823127073 /nfs/dbraw/zinc/12/70/73/823127073.db2.gz SINWHLSCYQMMRN-SJORKVTESA-N 1 0 390.549 4.136 20 0 GIADRO COc1cc([C@H](C)[NH2+]CCCCCc2ccc(F)cc2)ccc1S(C)(=O)=O ZINC000187759800 823127191 /nfs/dbraw/zinc/12/71/91/823127191.db2.gz GISYYFNZIZQGAK-INIZCTEOSA-N 1 0 393.524 4.301 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 ZINC000459095134 823127418 /nfs/dbraw/zinc/12/74/18/823127418.db2.gz HOPSDVXCVJLTOH-YTFSRNRJSA-N 1 0 381.564 4.371 20 0 GIADRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+]Cc1nnc(-c2cc(C)oc2C)o1 ZINC000571069579 823127548 /nfs/dbraw/zinc/12/75/48/823127548.db2.gz OEHPACROZNDWHM-MISYRCLQSA-N 1 0 381.476 4.387 20 0 GIADRO Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000056326156 823128260 /nfs/dbraw/zinc/12/82/60/823128260.db2.gz SGIWTPUVRDQWCI-UHFFFAOYSA-N 1 0 389.499 4.470 20 0 GIADRO Cc1cc2c(o1)CC(C)(C)C[C@H]2[NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000121154814 823128939 /nfs/dbraw/zinc/12/89/39/823128939.db2.gz PXVUDBZXJAFKLL-DNVCBOLYSA-N 1 0 390.549 4.203 20 0 GIADRO CCOc1cc(C[NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)ccc1OC ZINC000571083102 823129479 /nfs/dbraw/zinc/12/94/79/823129479.db2.gz BXBHPPUMZCUHHY-NRFANRHFSA-N 1 0 380.532 4.381 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1ccc(-n2cc[nH]c2=S)cc1 ZINC000056333001 823129828 /nfs/dbraw/zinc/12/98/28/823129828.db2.gz YRUPXEYXUDZAGJ-UHFFFAOYSA-N 1 0 392.528 4.425 20 0 GIADRO O=C(Cc1csc(-c2ccccn2)n1)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000056332388 823129834 /nfs/dbraw/zinc/12/98/34/823129834.db2.gz SZXCASLHAFTRIB-UHFFFAOYSA-N 1 0 392.528 4.025 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)N(Cc1ccccc1)Cc1ccccc1 ZINC000459117119 823130350 /nfs/dbraw/zinc/13/03/50/823130350.db2.gz VEHDUDMSJHGLTN-UHFFFAOYSA-N 1 0 377.532 4.415 20 0 GIADRO Fc1ccc(C[NH+]2CCC(N[C@H](c3ncc[nH]3)c3ccc(F)cc3)CC2)cc1 ZINC000187797452 823135339 /nfs/dbraw/zinc/13/53/39/823135339.db2.gz JEBOKPHSUDXBBD-NRFANRHFSA-N 1 0 382.458 4.032 20 0 GIADRO Cc1nccnc1[C@H](C)[NH2+]C[C@H](c1ccccc1)N1CCc2sccc2C1 ZINC000187777709 823131094 /nfs/dbraw/zinc/13/10/94/823131094.db2.gz NIBCWMQEYAJUHS-FXAWDEMLSA-N 1 0 378.545 4.297 20 0 GIADRO C[C@H]1C[N@H+](CCCNC(=O)Nc2ccc3oc4ccccc4c3c2)CCCO1 ZINC000571120897 823135374 /nfs/dbraw/zinc/13/53/74/823135374.db2.gz DUUVHZSRALBLNH-INIZCTEOSA-N 1 0 381.476 4.208 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1c2ccccc2O[C@@H]1C ZINC000571120531 823135485 /nfs/dbraw/zinc/13/54/85/823135485.db2.gz RBQLWNSWDFNFHX-XQFWAAQXSA-N 1 0 393.531 4.062 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)CCc2nc3ccccc3s2)CC[N@@H+]1Cc1ccccc1 ZINC000176137332 823132817 /nfs/dbraw/zinc/13/28/17/823132817.db2.gz HJYIHFJGGQKGHS-IEBWSBKVSA-N 1 0 393.556 4.398 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCc2ccc(-c3ccccc3)cc21)c1ccc(S(N)(=O)=O)cc1 ZINC000187786725 823132895 /nfs/dbraw/zinc/13/28/95/823132895.db2.gz XFEFOHYEDOFNRP-MWTRTKDXSA-N 1 0 392.524 4.339 20 0 GIADRO COc1ccc([C@@H](NC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c2ccco2)cc1 ZINC000459137973 823133486 /nfs/dbraw/zinc/13/34/86/823133486.db2.gz AEVNDDYWKBBPOP-SIKLNZKXSA-N 1 0 397.519 4.038 20 0 GIADRO O=C(Nc1ccccc1-c1cccs1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000121182742 823133782 /nfs/dbraw/zinc/13/37/82/823133782.db2.gz KNYYSFDSHMPVSY-UXHICEINSA-N 1 0 399.560 4.305 20 0 GIADRO C[C@H](NC(=O)N(C)Cc1cn2c(n1)CCCC2)c1ccc(-c2cccnc2)cc1 ZINC000571116048 823134406 /nfs/dbraw/zinc/13/44/06/823134406.db2.gz RVKSXKOQFRJZRY-KRWDZBQOSA-N 1 0 389.503 4.184 20 0 GIADRO CN(C(=O)N[C@H]1CC[C@@H](c2cccc(Cl)c2)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000459143466 823134471 /nfs/dbraw/zinc/13/44/71/823134471.db2.gz PVWFIQWONFOGNX-SKPIHXQZSA-N 1 0 375.944 4.243 20 0 GIADRO C[N@H+](CCCCNC(=O)N(Cc1c(F)cccc1F)C1CCCC1)C1CC1 ZINC000459167801 823136891 /nfs/dbraw/zinc/13/68/91/823136891.db2.gz UVKDNNLLSRHFGG-UHFFFAOYSA-N 1 0 379.495 4.293 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(-n3ccnc3C)nc1)CCCS2 ZINC000187803797 823136886 /nfs/dbraw/zinc/13/68/86/823136886.db2.gz VQGXDZYSERNHIB-LJQANCHMSA-N 1 0 380.517 4.301 20 0 GIADRO O=C(NCC1CC[NH+](C2CC2)CC1)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000571132228 823138479 /nfs/dbraw/zinc/13/84/79/823138479.db2.gz KWONBGLNJBCNRG-QFIPXVFZSA-N 1 0 380.536 4.279 20 0 GIADRO COc1ccc([C@H](NC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)c2ccco2)cc1 ZINC000459190026 823140877 /nfs/dbraw/zinc/14/08/77/823140877.db2.gz DHIRICZASUFIHF-UGKGYDQZSA-N 1 0 397.519 4.038 20 0 GIADRO Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+](C)[C@@H](C)C[S@](C)=O)cc1 ZINC000187829425 823141600 /nfs/dbraw/zinc/14/16/00/823141600.db2.gz HRZFGMHGSOQBGJ-MYUZEXMDSA-N 1 0 381.545 4.047 20 0 GIADRO C[C@H](CCCc1cccnc1)NC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000459194269 823141586 /nfs/dbraw/zinc/14/15/86/823141586.db2.gz DRBZTNJHYZNMTH-RTWAWAEBSA-N 1 0 394.563 4.099 20 0 GIADRO OC1(C(F)(F)F)CCC([NH2+]C/C=C\c2ccc(Br)cc2)CC1 ZINC000571156713 823141948 /nfs/dbraw/zinc/14/19/48/823141948.db2.gz QRMJFARPQQVSJJ-UPHRSURJSA-N 1 0 378.232 4.288 20 0 GIADRO CCN(Cc1ccc(OC)cc1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000056394838 823142345 /nfs/dbraw/zinc/14/23/45/823142345.db2.gz FJHXBJHSAZVNGD-UHFFFAOYSA-N 1 0 381.520 4.023 20 0 GIADRO Cc1ccc([C@H](O)C[NH2+][C@@H](C)CC(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000121242888 823146054 /nfs/dbraw/zinc/14/60/54/823146054.db2.gz AHAUFVCVTXDVLY-KBXCAEBGSA-N 1 0 380.410 4.054 20 0 GIADRO CC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1)c1cccc(F)c1 ZINC000187834093 823142484 /nfs/dbraw/zinc/14/24/84/823142484.db2.gz PTIDOHNDANBXHO-HXUWFJFHSA-N 1 0 378.513 4.096 20 0 GIADRO Cc1cc(NC(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)ccc1Oc1cccnc1 ZINC000121232400 823143780 /nfs/dbraw/zinc/14/37/80/823143780.db2.gz JQPCSBGJWFXMAU-GOSISDBHSA-N 1 0 382.508 4.282 20 0 GIADRO COc1ccc(C)cc1[C@H](C)NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000459205576 823144056 /nfs/dbraw/zinc/14/40/56/823144056.db2.gz WHPGQSPOOMIQAF-IBGZPJMESA-N 1 0 395.547 4.371 20 0 GIADRO O=C(NCc1ccc2c[nH+]cn2c1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000459207156 823144288 /nfs/dbraw/zinc/14/42/88/823144288.db2.gz DJXYPXVPRIGMEY-UHFFFAOYSA-N 1 0 388.393 4.227 20 0 GIADRO Cc1ccc([C@@H](O)C[NH2+][C@H](C)CC(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000121243356 823145974 /nfs/dbraw/zinc/14/59/74/823145974.db2.gz AHAUFVCVTXDVLY-KDOFPFPSSA-N 1 0 380.410 4.054 20 0 GIADRO CCc1nn(C)c(OC)c1C[NH2+][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000571186187 823145533 /nfs/dbraw/zinc/14/55/33/823145533.db2.gz UHQIPFRWTZLXQJ-MAUKXSAKSA-N 1 0 381.442 4.436 20 0 GIADRO COc1ccc([C@H](NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c2ccco2)cc1 ZINC000459214680 823145587 /nfs/dbraw/zinc/14/55/87/823145587.db2.gz NXAOTHZLBQTZQK-KNQAVFIVSA-N 1 0 397.519 4.038 20 0 GIADRO COc1ccc(C(C)(C)CNC(=O)N(CC[NH+](C)C)Cc2cccc(C)c2)cc1 ZINC000571195880 823146797 /nfs/dbraw/zinc/14/67/97/823146797.db2.gz ZIZHTFIFLWPJOI-UHFFFAOYSA-N 1 0 397.563 4.055 20 0 GIADRO CCOc1c(Cl)cc(C(=O)NC[C@H]([NH2+][C@@H](C)CC)c2ccco2)cc1OC ZINC000571194882 823146814 /nfs/dbraw/zinc/14/68/14/823146814.db2.gz IKVIYFSWCNWSHL-BBRMVZONSA-N 1 0 394.899 4.200 20 0 GIADRO [NH3+]CCOc1ccc(NC(=O)C23C[C@H]4C[C@@H](C2)CC(C(F)(F)F)(C4)C3)cc1 ZINC000571194376 823146825 /nfs/dbraw/zinc/14/68/25/823146825.db2.gz GJZFXDBTVKSPGL-BAUKFBFWSA-N 1 0 382.426 4.112 20 0 GIADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl ZINC000121247603 823146923 /nfs/dbraw/zinc/14/69/23/823146923.db2.gz XDVNNPOEUSENMH-SFYZADRCSA-N 1 0 385.122 4.107 20 0 GIADRO C[C@@H](CCCc1cccnc1)NC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000459221292 823146983 /nfs/dbraw/zinc/14/69/83/823146983.db2.gz SQQCHUDSNWPRHA-SFTDATJTSA-N 1 0 394.563 4.099 20 0 GIADRO CSCC[C@@H](CO)[NH2+][C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000571201045 823147454 /nfs/dbraw/zinc/14/74/54/823147454.db2.gz GYNUNWPGCIIGFV-BLLLJJGKSA-N 1 0 383.355 4.011 20 0 GIADRO CC[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(CC)CC)cc1)c1cccc(F)c1 ZINC000187858248 823147589 /nfs/dbraw/zinc/14/75/89/823147589.db2.gz WXXZHFJYHUBECF-FQEVSTJZSA-N 1 0 378.513 4.097 20 0 GIADRO c1cc([C@@H]2CCC[N@@H+](Cc3cn(Cc4ccccc4)nc3-c3cccnc3)C2)n[nH]1 ZINC000121256965 823149248 /nfs/dbraw/zinc/14/92/48/823149248.db2.gz MQEJRKCEZZLFGF-OAQYLSRUSA-N 1 0 398.514 4.096 20 0 GIADRO C[N@@H+]1CCC[C@@H](CCNC(=O)N(Cc2cc(F)ccc2F)C2CCCC2)C1 ZINC000459250062 823151712 /nfs/dbraw/zinc/15/17/12/823151712.db2.gz FIETVHYVBLBLSO-INIZCTEOSA-N 1 0 379.495 4.151 20 0 GIADRO C[N@H+](CCCO[C@H]1CCCCO1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000571228201 823151890 /nfs/dbraw/zinc/15/18/90/823151890.db2.gz WUAKVQMOCXWHGW-AEFFLSMTSA-N 1 0 384.314 4.138 20 0 GIADRO CC[NH+](CC)CCCNC(=O)c1ccccc1SCc1csc(C)n1 ZINC000121270993 823152233 /nfs/dbraw/zinc/15/22/33/823152233.db2.gz LATTXHPBNMMKDZ-UHFFFAOYSA-N 1 0 377.579 4.206 20 0 GIADRO NC(=O)c1ccc(-c2nc(C[N@@H+]3CC[C@@H](Cc4ccc(F)cc4)C3)cs2)cc1 ZINC000121279412 823153660 /nfs/dbraw/zinc/15/36/60/823153660.db2.gz CDQJENHLIFALCZ-INIZCTEOSA-N 1 0 395.503 4.113 20 0 GIADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000459268214 823153987 /nfs/dbraw/zinc/15/39/87/823153987.db2.gz RTVYDMQSTKTJJN-INIZCTEOSA-N 1 0 396.373 4.101 20 0 GIADRO CC(=O)NC[C@@H]1CCC[N@H+](C/C=C\c2ccc(OCc3ccccc3)cc2)C1 ZINC000459287686 823156504 /nfs/dbraw/zinc/15/65/04/823156504.db2.gz ZMJLKPLWXCNQRM-IRIZWXGVSA-N 1 0 378.516 4.127 20 0 GIADRO COc1cccc(C[C@@H]2CCCN2C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)c1 ZINC000571259216 823157362 /nfs/dbraw/zinc/15/73/62/823157362.db2.gz LDHLZPVOUKVYOW-REWPJTCUSA-N 1 0 393.531 4.483 20 0 GIADRO O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1c(F)cccc1Cl ZINC000056479389 823158056 /nfs/dbraw/zinc/15/80/56/823158056.db2.gz CHTKESXQOPSSFX-UHFFFAOYSA-N 1 0 387.886 4.263 20 0 GIADRO O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1ccc2ncsc2c1 ZINC000056479076 823158081 /nfs/dbraw/zinc/15/80/81/823158081.db2.gz KBQFDXQAWBDRCO-UHFFFAOYSA-N 1 0 392.528 4.081 20 0 GIADRO COc1ccccc1C[C@H](C)N(C)C(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000176232279 823158789 /nfs/dbraw/zinc/15/87/89/823158789.db2.gz XPGDOADUQLIJEF-FXAWDEMLSA-N 1 0 399.535 4.006 20 0 GIADRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)CCc3ncc(C(C)(C)C)o3)cc2)C1 ZINC000571294083 823161281 /nfs/dbraw/zinc/16/12/81/823161281.db2.gz ZVWAAPWGSRZQES-KRWDZBQOSA-N 1 0 399.535 4.264 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2cncc(C(F)(F)F)c2)CC1 ZINC000571272435 823159022 /nfs/dbraw/zinc/15/90/22/823159022.db2.gz HJWLWRPROBCEBC-OAHLLOKOSA-N 1 0 383.458 4.217 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1csc(C(F)(F)F)n1 ZINC000187927334 823159232 /nfs/dbraw/zinc/15/92/32/823159232.db2.gz KVLMAGBRBDXJTN-UHFFFAOYSA-N 1 0 387.427 4.135 20 0 GIADRO C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3cccc(OCC(F)(F)F)c3)CC2)C1 ZINC000056494385 823159375 /nfs/dbraw/zinc/15/93/75/823159375.db2.gz PWPZEUYYIHZOAB-MRXNPFEDSA-N 1 0 398.469 4.098 20 0 GIADRO CCCOc1ccc(-c2nc(C(=O)N3CCC([C@@H]4CC[NH2+]C4)CC3)cs2)cc1 ZINC000571281883 823159900 /nfs/dbraw/zinc/15/99/00/823159900.db2.gz YLPFLARZQCELLB-GOSISDBHSA-N 1 0 399.560 4.061 20 0 GIADRO C[C@@H]1CN(c2ccccc2C[N@H+]2CC=C(c3c[nH]c4ncccc34)CC2)CCO1 ZINC000459319565 823160685 /nfs/dbraw/zinc/16/06/85/823160685.db2.gz XBMMHCFYDAFGKE-GOSISDBHSA-N 1 0 388.515 4.077 20 0 GIADRO O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)Nc1ccc(F)cc1F ZINC000056519315 823160770 /nfs/dbraw/zinc/16/07/70/823160770.db2.gz LSXITYVRVITKEC-UHFFFAOYSA-N 1 0 386.446 4.141 20 0 GIADRO O=C1CCCN1C1CC[NH+](C/C=C/c2ccc(OCc3ccccc3)cc2)CC1 ZINC000459337856 823164486 /nfs/dbraw/zinc/16/44/86/823164486.db2.gz LLZCADMQQPIDIT-XBXARRHUSA-N 1 0 390.527 4.366 20 0 GIADRO COCCCOC1CC[NH+](Cc2cn(C3CCCC3)nc2-c2ccccn2)CC1 ZINC000459340352 823165064 /nfs/dbraw/zinc/16/50/64/823165064.db2.gz IQKFKKZEFUTXOC-UHFFFAOYSA-N 1 0 398.551 4.078 20 0 GIADRO C[C@@H](O)C[N@H+](C)C1CCN(C/C=C\c2ccc(OCc3ccccc3)cc2)CC1 ZINC000459341413 823165233 /nfs/dbraw/zinc/16/52/33/823165233.db2.gz WFDAXRYMRIACQZ-DFOOEPSASA-N 1 0 394.559 4.056 20 0 GIADRO C[C@@H](NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C)[C@H]1c1ccccc1)c1cc2ccccc2o1 ZINC000571331795 823166520 /nfs/dbraw/zinc/16/65/20/823166520.db2.gz WYVOVQUPFZSCDG-UGBDLMATSA-N 1 0 391.515 4.034 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+][C@@H](C)c2ccccc2Cl)c1 ZINC000121371857 823172097 /nfs/dbraw/zinc/17/20/97/823172097.db2.gz ZWKHRKCCYARUIQ-KGLIPLIRSA-N 1 0 376.884 4.425 20 0 GIADRO Cc1cccc(NC2CC[NH+](Cc3ccccc3N3CCO[C@@H](C)C3)CC2)c1 ZINC000459348042 823167443 /nfs/dbraw/zinc/16/74/43/823167443.db2.gz QTFKMIITTNFZCV-FQEVSTJZSA-N 1 0 379.548 4.297 20 0 GIADRO C/C(=C\c1ccccc1OC(F)F)C[N@H+]1CCC[C@@H]1CN1C[C@H](C)O[C@@H](C)C1 ZINC000571339290 823167623 /nfs/dbraw/zinc/16/76/23/823167623.db2.gz NHCAFJTXNWRUKA-INYBSHKGSA-N 1 0 394.506 4.265 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@@H]1CCc2c1cccc2Cl ZINC000056553215 823167857 /nfs/dbraw/zinc/16/78/57/823167857.db2.gz IGVVSXHYJXTHCV-OAQYLSRUSA-N 1 0 398.938 4.209 20 0 GIADRO Cc1occc1CN(C)C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000056555525 823168768 /nfs/dbraw/zinc/16/87/68/823168768.db2.gz AZLAJNBZXLQUOX-LJQANCHMSA-N 1 0 375.900 4.220 20 0 GIADRO Oc1cccc(CNc2cccc(C[NH+]3CCSCC3)c2)c1Br ZINC000459354019 823169556 /nfs/dbraw/zinc/16/95/56/823169556.db2.gz NQTMAVYQXQYVHJ-UHFFFAOYSA-N 1 0 393.350 4.316 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCc2c1cc(F)cc2F)c1cc(F)ccc1N1CCC(O)CC1 ZINC000121360025 823170057 /nfs/dbraw/zinc/17/00/57/823170057.db2.gz HHPMPPBOCPHSOC-YEJXKQKISA-N 1 0 390.449 4.403 20 0 GIADRO CCC[N@@H+]1CCCC[C@H]1C(=O)NCc1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000121365554 823171185 /nfs/dbraw/zinc/17/11/85/823171185.db2.gz HCDXVUFJYBJFDI-KRWDZBQOSA-N 1 0 375.900 4.184 20 0 GIADRO CCOc1cc(CNc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)ccc1O ZINC000459360888 823171503 /nfs/dbraw/zinc/17/15/03/823171503.db2.gz VOCAIBQKVXWJHP-UHFFFAOYSA-N 1 0 397.519 4.218 20 0 GIADRO COc1ccc2c(c1)[C@@H]([NH2+]CCNC(=O)c1ccccc1Cl)CCCS2 ZINC000188009954 823171514 /nfs/dbraw/zinc/17/15/14/823171514.db2.gz DFFMYJXPUAASIU-SFHVURJKSA-N 1 0 390.936 4.295 20 0 GIADRO C[NH2+]CCCNC(=O)c1ccccc1SCc1ccc(Br)cc1 ZINC000121376720 823173272 /nfs/dbraw/zinc/17/32/72/823173272.db2.gz ZOWNFZIGEYLCJI-UHFFFAOYSA-N 1 0 393.350 4.081 20 0 GIADRO CC(=O)Nc1ccc2c(C[N@H+]3C[C@H](c4ccc(F)cc4)C[C@@H]3C)cc(=O)oc2c1 ZINC000121385068 823174936 /nfs/dbraw/zinc/17/49/36/823174936.db2.gz BWNXDUSQFCQZRA-WMLDXEAASA-N 1 0 394.446 4.269 20 0 GIADRO CC[C@H](C)C(=O)Nc1cccc(C[NH2+]Cc2ccccc2N2CCO[C@@H](C)C2)c1 ZINC000459377761 823177337 /nfs/dbraw/zinc/17/73/37/823177337.db2.gz VAIKTCIJLFOSRH-OALUTQOASA-N 1 0 395.547 4.186 20 0 GIADRO O[C@H](C[NH2+]CC1(C(F)(F)F)CC1)COC(c1ccccc1)c1ccccc1 ZINC000571397767 823177416 /nfs/dbraw/zinc/17/74/16/823177416.db2.gz WCJQXVQYSZYGHP-GOSISDBHSA-N 1 0 379.422 4.086 20 0 GIADRO O=c1cc(C[NH+]2CCC(c3c[nH]c4ncccc34)CC2)nc(-c2ccccc2)[nH]1 ZINC000459375783 823176279 /nfs/dbraw/zinc/17/62/79/823176279.db2.gz KGWYQGFGDUVHIU-UHFFFAOYSA-N 1 0 385.471 4.105 20 0 GIADRO Fc1ccc2nc([C@H]3CCC[N@@H+]([C@H]4CCN(Cc5ccccc5)C4)C3)oc2c1 ZINC000459377698 823176846 /nfs/dbraw/zinc/17/68/46/823176846.db2.gz PWSYCFSZSKWJRY-ICSRJNTNSA-N 1 0 379.479 4.421 20 0 GIADRO O=c1cc(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)nc(-c2ccccc2)[nH]1 ZINC000459380107 823177956 /nfs/dbraw/zinc/17/79/56/823177956.db2.gz ASVQHJDYOXIKGX-LAUBAEHRSA-N 1 0 375.472 4.107 20 0 GIADRO CN(C)c1ccc(N2CCC([NH2+]Cc3ccc([N+](=O)[O-])c(Cl)c3)CC2)cc1 ZINC000188052116 823178282 /nfs/dbraw/zinc/17/82/82/823178282.db2.gz LUBIKAWYPIFCDT-UHFFFAOYSA-N 1 0 388.899 4.073 20 0 GIADRO CCOC(=O)c1noc(C[N@H+](C)[C@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)n1 ZINC000459397771 823183070 /nfs/dbraw/zinc/18/30/70/823183070.db2.gz JTOAGAWGKRGOIR-GJZGRUSLSA-N 1 0 397.397 4.033 20 0 GIADRO CCOc1cc(C[NH2+][C@H](C)c2ccc(OC)cc2)cc(Br)c1O ZINC000459384734 823179252 /nfs/dbraw/zinc/17/92/52/823179252.db2.gz DXSLFWMBNGQJKJ-GFCCVEGCSA-N 1 0 380.282 4.413 20 0 GIADRO C[C@@H]1CN(c2ccccc2C[NH2+]Cc2ccc(Br)c(F)c2)CCO1 ZINC000459386489 823179895 /nfs/dbraw/zinc/17/98/95/823179895.db2.gz HNLNSMQXZVTCCT-CQSZACIVSA-N 1 0 393.300 4.103 20 0 GIADRO Oc1cccc(C[NH2+]CCCCOCCc2ccccc2)c1Br ZINC000459397605 823183240 /nfs/dbraw/zinc/18/32/40/823183240.db2.gz WWWBJTKKUFYIPV-UHFFFAOYSA-N 1 0 378.310 4.284 20 0 GIADRO CC1CC[NH+]([C@H](CNC(=O)[C@H]2CCC(=O)c3ccccc32)c2ccccc2)CC1 ZINC000571422854 823180836 /nfs/dbraw/zinc/18/08/36/823180836.db2.gz UIOXHZNCUHKIEL-XZOQPEGZSA-N 1 0 390.527 4.336 20 0 GIADRO O=C(N[C@H](c1ccccc1)c1ccncc1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176319811 823181024 /nfs/dbraw/zinc/18/10/24/823181024.db2.gz XMJNTGKRGIAGAG-HSZRJFAPSA-N 1 0 392.547 4.267 20 0 GIADRO FC(F)(F)c1cccc(CN2CCC([NH2+]Cc3cnc(C4CC4)nc3)CC2)c1 ZINC000459390732 823181122 /nfs/dbraw/zinc/18/11/22/823181122.db2.gz NRPHAQIZIZZVDX-UHFFFAOYSA-N 1 0 390.453 4.127 20 0 GIADRO COc1ccc(C[NH2+]Cc2c(C)nc3scc(C4CC4)n23)cc1OC(F)F ZINC000459391263 823181130 /nfs/dbraw/zinc/18/11/30/823181130.db2.gz PJVHJPNFXVPFLT-UHFFFAOYSA-N 1 0 393.459 4.481 20 0 GIADRO FC(F)(F)c1cc([C@@H]2CN(CCc3cn[nH]c3)CCO2)cc(C(F)(F)F)c1 ZINC000459399180 823183515 /nfs/dbraw/zinc/18/35/15/823183515.db2.gz APNIOTMQTWLRCP-HNNXBMFYSA-N 1 0 393.331 4.063 20 0 GIADRO Cc1nc(CSc2ccc(C(=O)N(C)CC3([NH+](C)C)CCC3)cc2)cs1 ZINC000188067989 823181260 /nfs/dbraw/zinc/18/12/60/823181260.db2.gz RZHQDHCTGGGFGH-UHFFFAOYSA-N 1 0 389.590 4.300 20 0 GIADRO CCC[C@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)c1ccc(F)cc1F ZINC000571427789 823181236 /nfs/dbraw/zinc/18/12/36/823181236.db2.gz JEHCMTKPAVQSLQ-APWZRJJASA-N 1 0 382.520 4.140 20 0 GIADRO COc1cccc(C[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)c1OC ZINC000459392732 823181727 /nfs/dbraw/zinc/18/17/27/823181727.db2.gz PUKCSIHTNDBGFA-UHFFFAOYSA-N 1 0 392.503 4.367 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)NC1CCC(C(F)F)CC1 ZINC000459392869 823181735 /nfs/dbraw/zinc/18/17/35/823181735.db2.gz RFQIJXBVXGVZPY-UHFFFAOYSA-N 1 0 397.535 4.223 20 0 GIADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H](C)c2ccc(-c3cccnc3)cc2)C1 ZINC000176332019 823184425 /nfs/dbraw/zinc/18/44/25/823184425.db2.gz NPUUGUJAIKKKRP-OALUTQOASA-N 1 0 380.536 4.229 20 0 GIADRO CCOc1cc(C[NH2+][C@H]2CCc3cc(F)ccc32)cc(Br)c1O ZINC000459401762 823184530 /nfs/dbraw/zinc/18/45/30/823184530.db2.gz XWOWAFSIKDAFHM-INIZCTEOSA-N 1 0 380.257 4.470 20 0 GIADRO C[N@H+](Cc1cc(=O)[nH]c(-c2ccccc2)n1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000459402858 823185150 /nfs/dbraw/zinc/18/51/50/823185150.db2.gz NVDMDQIUFYXBEA-LEWJYISDSA-N 1 0 393.462 4.340 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc(C(=O)c2cccc(O)c2)cc1 ZINC000188095076 823185530 /nfs/dbraw/zinc/18/55/30/823185530.db2.gz DNJVJJUJPBHRAG-UHFFFAOYSA-N 1 0 388.467 4.246 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H](C)c1nc(C)cs1 ZINC000176336147 823185556 /nfs/dbraw/zinc/18/55/56/823185556.db2.gz YLDSJJFSKHYXFO-HKUYNNGSSA-N 1 0 386.565 4.066 20 0 GIADRO CC(=O)NC1CCC([NH2+]C/C=C\c2ccc(OCc3ccccc3)cc2)CC1 ZINC000459405782 823185935 /nfs/dbraw/zinc/18/59/35/823185935.db2.gz UFEUOWLWMNMZBB-YVMONPNESA-N 1 0 378.516 4.316 20 0 GIADRO CCOc1ccc(C[NH2+]Cc2cc(Br)c(O)c(OCC)c2)cc1F ZINC000459406759 823186070 /nfs/dbraw/zinc/18/60/70/823186070.db2.gz UYLJZMHYYPRNPX-UHFFFAOYSA-N 1 0 398.272 4.381 20 0 GIADRO CCc1nc2n(n1)C[C@H]([NH2+]C/C=C/c1ccc(OCc3ccccc3)cc1)CC2 ZINC000459406617 823186106 /nfs/dbraw/zinc/18/61/06/823186106.db2.gz USOGCTHCMGTMLF-VHTFYLNKSA-N 1 0 388.515 4.037 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CCCC1)c1cncc(Br)c1 ZINC000571463727 823186415 /nfs/dbraw/zinc/18/64/15/823186415.db2.gz IIWFUHIJSMTYRX-CJNGLKHVSA-N 1 0 380.355 4.393 20 0 GIADRO Cc1nc(CN2CCC(C[NH2+]Cc3c(F)cc(C)cc3Cl)CC2)oc1C ZINC000459407365 823186554 /nfs/dbraw/zinc/18/65/54/823186554.db2.gz PDEHLYPAIVDQNW-UHFFFAOYSA-N 1 0 379.907 4.394 20 0 GIADRO CC(C)n1cnnc1-c1ccccc1NC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000176339608 823186687 /nfs/dbraw/zinc/18/66/87/823186687.db2.gz HGRUXVYHGBMKSO-KRWDZBQOSA-N 1 0 398.555 4.158 20 0 GIADRO CC(C)NC(=O)CC[NH2+][C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC000188115937 823188895 /nfs/dbraw/zinc/18/88/95/823188895.db2.gz WRIMQDSBOIONLS-IBGZPJMESA-N 1 0 375.310 4.043 20 0 GIADRO COc1cccc([C@@H](NCc2cnc(C3CC3)nc2)c2cc(F)ccc2OC)c1 ZINC000459421700 823188926 /nfs/dbraw/zinc/18/89/26/823188926.db2.gz HBRMOZRWNTVUET-JOCHJYFZSA-N 1 0 393.462 4.390 20 0 GIADRO COc1ccc(Cl)cc1C1(C[NH2+][C@H](C)c2cccc(CO)c2)CCOCC1 ZINC000121454692 823187546 /nfs/dbraw/zinc/18/75/46/823187546.db2.gz VYEGJSWBUIVHMS-MRXNPFEDSA-N 1 0 389.923 4.240 20 0 GIADRO CCc1cc(N2CCC([NH2+][C@H]3CCCSc4ccc(OC)cc43)CC2)ncn1 ZINC000188107631 823187674 /nfs/dbraw/zinc/18/76/74/823187674.db2.gz BUSVYIXEYBAELC-FQEVSTJZSA-N 1 0 398.576 4.233 20 0 GIADRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)c1cnc(-c2ccc(OC)cc2)s1)c1ccco1 ZINC000571474762 823188132 /nfs/dbraw/zinc/18/81/32/823188132.db2.gz JYSOJGVLGFYREL-PBHICJAKSA-N 1 0 399.516 4.271 20 0 GIADRO C[C@H](N(Cc1ccccc1)C(=O)N=c1ccn(C2CC[NH+](C)CC2)[nH]1)C(C)(C)C ZINC000571472988 823188136 /nfs/dbraw/zinc/18/81/36/823188136.db2.gz ZKOZLTIVYVEUKQ-SFHVURJKSA-N 1 0 397.567 4.040 20 0 GIADRO CC[C@H](C)[NH2+][C@H](CNC(=O)c1cnc(-c2ccc(OC)cc2)s1)c1ccco1 ZINC000571474764 823188413 /nfs/dbraw/zinc/18/84/13/823188413.db2.gz JYSOJGVLGFYREL-WMLDXEAASA-N 1 0 399.516 4.271 20 0 GIADRO COc1ccc(-c2nc3c(s2)[C@@H]([NH2+]Cc2cn4cccnc4n2)CCC3)cc1 ZINC000459398507 823183582 /nfs/dbraw/zinc/18/35/82/823183582.db2.gz IKSYPVYJHOVMHK-KRWDZBQOSA-N 1 0 391.500 4.029 20 0 GIADRO COc1cc([C@@H](C)[NH2+]Cc2cnc(C3CC3)nc2)ccc1OCc1ccncc1 ZINC000459398435 823183610 /nfs/dbraw/zinc/18/36/10/823183610.db2.gz YFNQZDSVCFGCSC-MRXNPFEDSA-N 1 0 390.487 4.187 20 0 GIADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)[C@@H](C)c1cc2ccccc2o1 ZINC000176349654 823189341 /nfs/dbraw/zinc/18/93/41/823189341.db2.gz LHIKZWGHNTXNRI-RXVVDRJESA-N 1 0 391.515 4.444 20 0 GIADRO CCOc1cc(C[NH2+][C@@H](CC)c2c(C)nn(C)c2C)cc(Br)c1O ZINC000459425553 823189774 /nfs/dbraw/zinc/18/97/74/823189774.db2.gz MOWBVMMRNCMJAY-HNNXBMFYSA-N 1 0 396.329 4.145 20 0 GIADRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCc2sc3ccc(Cl)cc3c2C)C1(C)C ZINC000571520756 823195535 /nfs/dbraw/zinc/19/55/35/823195535.db2.gz YRFJREBTRIIITJ-VQIMIIECSA-N 1 0 380.941 4.012 20 0 GIADRO Cc1nccn1C[C@H](C)C[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000121502740 823195978 /nfs/dbraw/zinc/19/59/78/823195978.db2.gz YSUQDMXANNDYLN-DYVFJYSZSA-N 1 0 378.314 4.094 20 0 GIADRO CCOc1cc(C[NH2+]C[C@@H](c2cccnc2)C(C)C)cc(Br)c1O ZINC000459434969 823191512 /nfs/dbraw/zinc/19/15/12/823191512.db2.gz VWTKONBWPHMJTC-MRXNPFEDSA-N 1 0 393.325 4.478 20 0 GIADRO Cc1ccc(O[C@H](C)CNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)cc1 ZINC000176362756 823191570 /nfs/dbraw/zinc/19/15/70/823191570.db2.gz UHALPMHLWFGVLN-HXUWFJFHSA-N 1 0 395.547 4.068 20 0 GIADRO FC(F)(F)CSCC[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459440637 823192417 /nfs/dbraw/zinc/19/24/17/823192417.db2.gz MNTKQIRJKDRUOZ-UHFFFAOYSA-N 1 0 384.471 4.445 20 0 GIADRO Cc1ccc2cc([C@H](C)[NH2+]Cc3ccc(C(=O)N4CCOCC4)cc3)oc2c1 ZINC000571498553 823192653 /nfs/dbraw/zinc/19/26/53/823192653.db2.gz QWODJIKTAKQYQW-KRWDZBQOSA-N 1 0 378.472 4.064 20 0 GIADRO CCOc1cc(C[NH2+]Cc2cc(C)cc(OC)c2)cc(Br)c1O ZINC000459447478 823194022 /nfs/dbraw/zinc/19/40/22/823194022.db2.gz KBXJAQYGCIDNCO-UHFFFAOYSA-N 1 0 380.282 4.160 20 0 GIADRO CC(C)n1cc2cc(NC(=O)N(CC[NH+](C)C)Cc3ccsc3)ccc2n1 ZINC000459448852 823194336 /nfs/dbraw/zinc/19/43/36/823194336.db2.gz SOMSPIORSPQFIP-UHFFFAOYSA-N 1 0 385.537 4.274 20 0 GIADRO Cc1ccn(-c2ccccc2C[NH2+]Cc2c(C)nc3scc(C4CC4)n23)n1 ZINC000459451767 823194660 /nfs/dbraw/zinc/19/46/60/823194660.db2.gz VOLYKSBHRLBXQQ-UHFFFAOYSA-N 1 0 377.517 4.366 20 0 GIADRO CC(C)Cn1cc(NC(=O)N(CC[NH+](C)C)Cc2ccsc2)c(C(F)F)n1 ZINC000459453388 823195191 /nfs/dbraw/zinc/19/51/91/823195191.db2.gz AJEOXQZNNTVIBL-UHFFFAOYSA-N 1 0 399.511 4.134 20 0 GIADRO Cc1ncsc1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)CC1CCC(F)(F)CC1 ZINC000459453068 823195253 /nfs/dbraw/zinc/19/52/53/823195253.db2.gz ZZWFFVICRCVUOV-HOTGVXAUSA-N 1 0 375.504 4.121 20 0 GIADRO CC[C@@H](C(=O)Nc1cccc(CN2C[C@@H](C)O[C@@H](C)C2)c1)c1c(C)noc1C ZINC000121507941 823196896 /nfs/dbraw/zinc/19/68/96/823196896.db2.gz UXMFOHTZKIWEKR-QEEYODRMSA-N 1 0 385.508 4.033 20 0 GIADRO O=C(NC1(c2cccc(C(F)(F)F)c2)CC1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000571534857 823197193 /nfs/dbraw/zinc/19/71/93/823197193.db2.gz IAMKFPLKGIHWKA-KRWDZBQOSA-N 1 0 398.494 4.028 20 0 GIADRO COc1ccc(-c2ccccc2C)cc1C[NH2+][C@@H](C)C(=O)NCc1ccco1 ZINC000459463296 823197403 /nfs/dbraw/zinc/19/74/03/823197403.db2.gz KUEKDYQZDPYFED-KRWDZBQOSA-N 1 0 378.472 4.058 20 0 GIADRO CCOc1cc(C[NH2+][C@H](CCOC)c2ccc(C)o2)cc(Br)c1O ZINC000459463596 823197502 /nfs/dbraw/zinc/19/75/02/823197502.db2.gz NYBLRLRCURADTI-OAHLLOKOSA-N 1 0 398.297 4.322 20 0 GIADRO CCC[C@@H](C)C(=O)NCC[NH2+][C@@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000571540931 823197783 /nfs/dbraw/zinc/19/77/83/823197783.db2.gz FIVWPAMFGUTYNZ-KGLIPLIRSA-N 1 0 377.529 4.461 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ncc(-c3cccc(F)c3)o2)C1)CC(F)(F)F ZINC000176395671 823198377 /nfs/dbraw/zinc/19/83/77/823198377.db2.gz NGSJHQWBIVGQFZ-AWEZNQCLSA-N 1 0 385.405 4.187 20 0 GIADRO CC(C)c1cc(Br)ccc1NC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000459468347 823198528 /nfs/dbraw/zinc/19/85/28/823198528.db2.gz TVZHSRYJSSGTRB-AWEZNQCLSA-N 1 0 382.346 4.426 20 0 GIADRO 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 823198827 /nfs/dbraw/zinc/19/88/27/823198827.db2.gz VNHCAWVJQPMGGE-HMSXATMWSA-N 1 0 398.513 4.468 20 0 GIADRO CC[C@@H](C)Oc1cc(C[NH+]2CCC(CC(=O)N3CCCC3)CC2)ccc1OC ZINC000121518645 823198880 /nfs/dbraw/zinc/19/88/80/823198880.db2.gz FLNUWPJKRSJHOB-GOSISDBHSA-N 1 0 388.552 4.097 20 0 GIADRO CC1(C)[C@H]([NH2+]Cc2cc(Br)cc(Br)c2)[C@H]2CCO[C@H]21 ZINC000571545949 823198954 /nfs/dbraw/zinc/19/89/54/823198954.db2.gz ZNJPQOYGYRECFR-MGPQQGTHSA-N 1 0 389.131 4.115 20 0 GIADRO CC(C)N1CC[C@H]([NH2+]C2CCN(C3CC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000459471447 823199101 /nfs/dbraw/zinc/19/91/01/823199101.db2.gz TZLSLNKGXBACDU-LEWJYISDSA-N 1 0 379.951 4.219 20 0 GIADRO CC(C)[NH+]1CCN(CCCSc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000188179429 823199182 /nfs/dbraw/zinc/19/91/82/823199182.db2.gz UHWNGDQRPDHJCM-UHFFFAOYSA-N 1 0 381.895 4.262 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2cc(=O)oc3cc(C)c(C)cc23)C1)CC(F)(F)F ZINC000176398256 823199364 /nfs/dbraw/zinc/19/93/64/823199364.db2.gz GBBSZPYBMZLNSP-INIZCTEOSA-N 1 0 396.453 4.116 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2nc(-c3cccs3)oc2C)C1)CC(F)(F)F ZINC000176400795 823200016 /nfs/dbraw/zinc/20/00/16/823200016.db2.gz RHDNAWPHMJHPEN-AWEZNQCLSA-N 1 0 387.471 4.418 20 0 GIADRO O=C(c1ccncc1)N1CCC([NH2+][C@@H]2CCCC[C@H](c3ccccc3)C2)CC1 ZINC000459474620 823200019 /nfs/dbraw/zinc/20/00/19/823200019.db2.gz YPYHGCBUSHWOMR-JTHBVZDNSA-N 1 0 377.532 4.392 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ncc(-c3ccc(F)cc3)o2)C1)CC(F)(F)F ZINC000176401224 823200275 /nfs/dbraw/zinc/20/02/75/823200275.db2.gz XMBSBKWVPVYKMQ-AWEZNQCLSA-N 1 0 385.405 4.187 20 0 GIADRO c1c(C[N@@H+]2CCC[C@H]2C2CCOCC2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459475822 823200353 /nfs/dbraw/zinc/20/03/53/823200353.db2.gz XDFZIAFRECVSKG-QFIPXVFZSA-N 1 0 380.536 4.451 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N1CCC[C@H]1c1ccccn1 ZINC000056727017 823200939 /nfs/dbraw/zinc/20/09/39/823200939.db2.gz UXISQRBOLBZAJY-QFIPXVFZSA-N 1 0 378.520 4.479 20 0 GIADRO CCC[N@@H+]1CC[C@H](CNC(=O)NC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000056729706 823201690 /nfs/dbraw/zinc/20/16/90/823201690.db2.gz VOTXWMVZXOWWFY-MRXNPFEDSA-N 1 0 387.474 4.085 20 0 GIADRO Cn1ccnc1[C@H]1OCC[C@@H]1[NH2+]C/C=C/c1ccc(OCc2ccccc2)cc1 ZINC000459481852 823201665 /nfs/dbraw/zinc/20/16/65/823201665.db2.gz BMKDJLUUMHFSHR-HRWOIXESSA-N 1 0 389.499 4.132 20 0 GIADRO O=C(CC[N@H+]1CC[C@@H](c2cccc(F)c2)C1)Nc1ccc(Br)cc1 ZINC000571569785 823201766 /nfs/dbraw/zinc/20/17/66/823201766.db2.gz PGLZJQOEPDVEFG-OAHLLOKOSA-N 1 0 391.284 4.406 20 0 GIADRO COc1ccc(CN2CC[C@H]([NH2+][C@H](C)c3cc4ccccc4s3)C2=O)cc1 ZINC000188203111 823202785 /nfs/dbraw/zinc/20/27/85/823202785.db2.gz ITBYLIWGYFVHLH-BEFAXECRSA-N 1 0 380.513 4.362 20 0 GIADRO Cc1cccc(N2CCC([NH2+][C@H](C)Cc3ccc(Br)cc3)CC2)n1 ZINC000188208614 823203403 /nfs/dbraw/zinc/20/34/03/823203403.db2.gz NOFAOAMNHCPETM-MRXNPFEDSA-N 1 0 388.353 4.342 20 0 GIADRO [NH3+][C@H]1CCO[C@@H](C2CCN(C(=O)N(c3ccccc3)c3ccccc3)CC2)C1 ZINC000571582295 823203758 /nfs/dbraw/zinc/20/37/58/823203758.db2.gz PBKDETXYIKJDAQ-SIKLNZKXSA-N 1 0 379.504 4.163 20 0 GIADRO CCOCCOc1c(Cl)cccc1NC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000176415821 823203855 /nfs/dbraw/zinc/20/38/55/823203855.db2.gz BKECIISBMVMLFB-UHFFFAOYSA-N 1 0 397.947 4.093 20 0 GIADRO COC(=O)c1cccc(C[NH+]2CCC3(CC2)OCCc2ccccc23)c1Cl ZINC000459495992 823204135 /nfs/dbraw/zinc/20/41/35/823204135.db2.gz NNAFRJVQMDVMDF-UHFFFAOYSA-N 1 0 385.891 4.191 20 0 GIADRO CCOc1cc(C[NH2+]Cc2c(CC)nn(-c3ccccc3)c2CC)ccc1O ZINC000459500319 823205168 /nfs/dbraw/zinc/20/51/68/823205168.db2.gz GQUJCSBVOXJUKV-UHFFFAOYSA-N 1 0 379.504 4.391 20 0 GIADRO OC[C@H](C[NH2+]Cc1cscc1C(F)(F)F)Cc1cc(F)c(F)c(F)c1 ZINC000571605044 823206980 /nfs/dbraw/zinc/20/69/80/823206980.db2.gz UZDCLHHBKPEZEV-JTQLQIEISA-N 1 0 383.357 4.125 20 0 GIADRO COc1ccc(-c2nc(C[NH+]3CCC4(CC3)OCCc3ccccc34)co2)cc1 ZINC000459510123 823207547 /nfs/dbraw/zinc/20/75/47/823207547.db2.gz CGCPCPFOVFMICT-UHFFFAOYSA-N 1 0 390.483 4.414 20 0 GIADRO O=C(CC[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1)Nc1ccc(Br)cc1 ZINC000571607485 823207591 /nfs/dbraw/zinc/20/75/91/823207591.db2.gz JVOZHZKGVQSCND-HNNXBMFYSA-N 1 0 398.304 4.016 20 0 GIADRO COc1ccc(F)c(C(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1OC ZINC000188237759 823207659 /nfs/dbraw/zinc/20/76/59/823207659.db2.gz PPZKKSJFHSTTLM-HNNXBMFYSA-N 1 0 386.467 4.327 20 0 GIADRO C[C@H]1CN(c2ccccc2C[NH+]2CCC(c3ncccc3Cl)CC2)CCO1 ZINC000459511098 823208002 /nfs/dbraw/zinc/20/80/02/823208002.db2.gz PHOWHNFISDKZKB-KRWDZBQOSA-N 1 0 385.939 4.340 20 0 GIADRO CC(C)c1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)Cc1ccc(Br)cc1 ZINC000188241979 823208285 /nfs/dbraw/zinc/20/82/85/823208285.db2.gz BMLGBGJKGGTMJH-CZUORRHYSA-N 1 0 377.330 4.220 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3ccc(F)c(Cl)c3)cc2F)CC1 ZINC000121570924 823208287 /nfs/dbraw/zinc/20/82/87/823208287.db2.gz RQYUDSBGCAFTOV-UHFFFAOYSA-N 1 0 393.865 4.401 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ocnc1-c1ccccc1 ZINC000571611669 823208703 /nfs/dbraw/zinc/20/87/03/823208703.db2.gz RIGZOBHSHOCZAB-UHFFFAOYSA-N 1 0 375.472 4.258 20 0 GIADRO COc1ccccc1CN(C)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000056764212 823208966 /nfs/dbraw/zinc/20/89/66/823208966.db2.gz GKMGKXIIWMLGBW-UHFFFAOYSA-N 1 0 381.520 4.388 20 0 GIADRO CCOc1cc(CNc2cccc(N3CC[NH+](CC)CC3)c2)cc(Cl)c1O ZINC000459514982 823209026 /nfs/dbraw/zinc/20/90/26/823209026.db2.gz DBPHKRREURZJMF-UHFFFAOYSA-N 1 0 389.927 4.198 20 0 GIADRO O[C@H](C[NH2+]C[C@H](c1cccs1)N1CCCC1)Cc1ccc2ccccc2c1 ZINC000571630886 823212257 /nfs/dbraw/zinc/21/22/57/823212257.db2.gz IFOXRMSQVORDCZ-FCHUYYIVSA-N 1 0 380.557 4.231 20 0 GIADRO COc1ccc(-c2nnc(SCCC[NH+]3CCCC3)n2Cc2ccco2)cc1 ZINC000188249474 823209052 /nfs/dbraw/zinc/20/90/52/823209052.db2.gz RCJQWUQWMUOSNY-UHFFFAOYSA-N 1 0 398.532 4.173 20 0 GIADRO COc1cccc(-c2nnc(SCCC[NH+]3CCCC3)n2Cc2ccco2)c1 ZINC000188251090 823209312 /nfs/dbraw/zinc/20/93/12/823209312.db2.gz DPXFUHHQFZKXEP-UHFFFAOYSA-N 1 0 398.532 4.173 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)Nc1cccc(-c2nccs2)c1 ZINC000056778478 823212337 /nfs/dbraw/zinc/21/23/37/823212337.db2.gz FNIPRATYWXGYJT-KRWDZBQOSA-N 1 0 382.489 4.362 20 0 GIADRO COc1ccc([C@H](C)[NH2+]C[C@@H](C[C@@H](C)O)c2ccccc2)cc1Cn1cccn1 ZINC000121592298 823212513 /nfs/dbraw/zinc/21/25/13/823212513.db2.gz KEUXXOOIMDANMJ-XQBPLPMBSA-N 1 0 393.531 4.145 20 0 GIADRO C[C@](O)(C[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1)C1CCCCC1 ZINC000459523457 823211114 /nfs/dbraw/zinc/21/11/14/823211114.db2.gz NDUMKLMWNUEVIA-QHCPKHFHSA-N 1 0 382.552 4.481 20 0 GIADRO C[NH+](C)CCOc1ccc(CNC(=O)Nc2cccc(-c3nccs3)c2)cc1 ZINC000056776770 823211731 /nfs/dbraw/zinc/21/17/31/823211731.db2.gz AJGXVIINPGFNGK-UHFFFAOYSA-N 1 0 396.516 4.072 20 0 GIADRO Cc1cc(C)c(NC(=O)C[NH2+][C@@H](c2ccccc2)C2(CO)CCCC2)c(C)c1 ZINC000459532054 823213050 /nfs/dbraw/zinc/21/30/50/823213050.db2.gz NXPJCKAWFNMYIF-QHCPKHFHSA-N 1 0 380.532 4.434 20 0 GIADRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)c1c[nH]c3cccc(F)c13)c1ccccc1O2 ZINC000121595455 823213306 /nfs/dbraw/zinc/21/33/06/823213306.db2.gz ZAUXELRRQSJPRS-LJQANCHMSA-N 1 0 393.462 4.025 20 0 GIADRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000571643224 823213603 /nfs/dbraw/zinc/21/36/03/823213603.db2.gz ZNOJMICNYFZSQH-RPIYSHSISA-N 1 0 387.483 4.254 20 0 GIADRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)Nc2ccc(-c3csnn3)cc2)C1 ZINC000056788108 823213681 /nfs/dbraw/zinc/21/36/81/823213681.db2.gz PNKHGUVQOURIFC-HOTGVXAUSA-N 1 0 387.553 4.085 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)[C@@H](C)c3nc(C(C)(C)C)no3)C2)s1 ZINC000571645826 823213794 /nfs/dbraw/zinc/21/37/94/823213794.db2.gz ISQWZPRFVUDXOA-JKSUJKDBSA-N 1 0 376.570 4.252 20 0 GIADRO CC1(C)C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)c2cc(N)ccc2O1 ZINC000571679863 823217967 /nfs/dbraw/zinc/21/79/67/823217967.db2.gz XKFFOHHVDMYQCE-NHCUHLMSSA-N 1 0 393.531 4.042 20 0 GIADRO O=C(N[C@H](c1cccc(Cl)c1)c1ccccn1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000121623322 823218010 /nfs/dbraw/zinc/21/80/10/823218010.db2.gz WXUAOQDUMYQBOR-PZJWPPBQSA-N 1 0 398.938 4.094 20 0 GIADRO CCOC1CC2(C1)CC[N@H+](Cc1cn(C3CCCC3)nc1-c1ccccn1)C2 ZINC000459537841 823215037 /nfs/dbraw/zinc/21/50/37/823215037.db2.gz NKOHDVDVEWWIAO-UHFFFAOYSA-N 1 0 380.536 4.451 20 0 GIADRO [NH3+]CCC[C@@H](NC(=O)NCc1ccc(OC2CCCCC2)nc1)c1ccccc1 ZINC000571656708 823215250 /nfs/dbraw/zinc/21/52/50/823215250.db2.gz XELFEWINPUMBAR-OAQYLSRUSA-N 1 0 396.535 4.073 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H](C)Oc1ccc(C(F)(F)F)cc1 ZINC000188296791 823215985 /nfs/dbraw/zinc/21/59/85/823215985.db2.gz JZENQIGVRHYTOA-AWEZNQCLSA-N 1 0 380.410 4.481 20 0 GIADRO CCOc1ccc(C[NH2+]Cc2ccc(OCc3noc(C)n3)cc2)cc1Cl ZINC000571663572 823216202 /nfs/dbraw/zinc/21/62/02/823216202.db2.gz AAEPHGRIJRZSMC-UHFFFAOYSA-N 1 0 387.867 4.299 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)NC1CCC(OC(C)C)CC1)c1ccsc1 ZINC000121625385 823218276 /nfs/dbraw/zinc/21/82/76/823218276.db2.gz OMQDRFHHZDFXFO-ACBHZAAOSA-N 1 0 381.586 4.166 20 0 GIADRO CC(C)c1csc(NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC000571690937 823219648 /nfs/dbraw/zinc/21/96/48/823219648.db2.gz PTJURCLIJFAWTD-MSOLQXFVSA-N 1 0 384.549 4.252 20 0 GIADRO CCO[C@@H]1C[C@@H](Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)[C@H]1Sc1ccccc1 ZINC000459561253 823220638 /nfs/dbraw/zinc/22/06/38/823220638.db2.gz RHPDMYHWCKFLRD-MLDBQTBOSA-N 1 0 398.572 4.003 20 0 GIADRO COc1ccc(-c2ccccc2C)cc1C[NH2+][C@H]1CCO[C@@H](c2ccnn2C)C1 ZINC000459563653 823221187 /nfs/dbraw/zinc/22/11/87/823221187.db2.gz DQZQPMZJVFUHEU-GBXCKJPGSA-N 1 0 391.515 4.414 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cnc3onc(C(C)(C)C)c3c2)C1 ZINC000409453923 823222433 /nfs/dbraw/zinc/22/24/33/823222433.db2.gz BRZNHOATPOVSNL-CRAIPNDOSA-N 1 0 392.503 4.086 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)Nc1ccc(C2CCC2)cc1 ZINC000571711780 823222511 /nfs/dbraw/zinc/22/25/11/823222511.db2.gz GLNMXQKMTZYELM-UHFFFAOYSA-N 1 0 393.531 4.233 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](C)c1oc2ccc(OC)cc2c1C ZINC000176500900 823222594 /nfs/dbraw/zinc/22/25/94/823222594.db2.gz UGHATTUXIGXVGR-BBWFWOEESA-N 1 0 385.508 4.079 20 0 GIADRO CCCN(C(=O)c1ccnc2ccncc21)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000188348482 823223620 /nfs/dbraw/zinc/22/36/20/823223620.db2.gz MXXBRHOSCKVJEC-HXUWFJFHSA-N 1 0 388.515 4.147 20 0 GIADRO COc1ccc(-c2ccccc2C)cc1C[NH2+][C@@H]1CCC[C@@H]2CN(C(C)=O)C[C@@H]21 ZINC000459575151 823223735 /nfs/dbraw/zinc/22/37/35/823223735.db2.gz ZLXDJSYJQIFYNU-FGCOXFRFSA-N 1 0 392.543 4.407 20 0 GIADRO CC1CC[NH+](Cc2ccccc2CNC(=O)c2cccnc2C(F)(F)F)CC1 ZINC000188354042 823224442 /nfs/dbraw/zinc/22/44/42/823224442.db2.gz QHZHZEKTUNNGRA-UHFFFAOYSA-N 1 0 391.437 4.262 20 0 GIADRO C[C@H]1CCC[N@H+](CCCCNC(=O)C(C)(C)c2ccccc2Br)C1 ZINC000409462639 823225216 /nfs/dbraw/zinc/22/52/16/823225216.db2.gz HDAYHZFVJGYCBR-INIZCTEOSA-N 1 0 395.385 4.355 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)N[C@@H](C)c2cccc(OC(F)F)c2)CC1 ZINC000056866511 823225545 /nfs/dbraw/zinc/22/55/45/823225545.db2.gz FZFIOUFNRLMFLD-HNNXBMFYSA-N 1 0 383.483 4.111 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)N[C@H](C)c2cccc(OC(F)F)c2)CC1 ZINC000056866512 823225610 /nfs/dbraw/zinc/22/56/10/823225610.db2.gz FZFIOUFNRLMFLD-OAHLLOKOSA-N 1 0 383.483 4.111 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)c2[nH]c3ccc(Cl)cc3c2Cl)c1 ZINC000056891834 823228512 /nfs/dbraw/zinc/22/85/12/823228512.db2.gz HMDRNHYUQFBLFU-UHFFFAOYSA-N 1 0 376.287 4.466 20 0 GIADRO CC(C)Oc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccco2)cc1Cl ZINC000176516458 823226758 /nfs/dbraw/zinc/22/67/58/823226758.db2.gz IKKGZZTUQYWBHH-UHFFFAOYSA-N 1 0 379.888 4.316 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)Nc2ccccc2)cc1 ZINC000188368267 823227496 /nfs/dbraw/zinc/22/74/96/823227496.db2.gz KWTHBKZSTVXBND-NRFANRHFSA-N 1 0 394.519 4.163 20 0 GIADRO O=C(C(Cc1ccccc1)Cc1ccccc1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000409475371 823229299 /nfs/dbraw/zinc/22/92/99/823229299.db2.gz DADRMIRKHKSFHC-XMMPIXPASA-N 1 0 376.544 4.175 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N[C@H](c3cccs3)C(C)(C)CO)ccc21 ZINC000459611442 823229610 /nfs/dbraw/zinc/22/96/10/823229610.db2.gz DAFXOMYHJQXUGS-PKOBYXMFSA-N 1 0 387.549 4.178 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)C[C@@](O)(c2ccc(C)o2)C(F)(F)F)cc1 ZINC000188377705 823229618 /nfs/dbraw/zinc/22/96/18/823229618.db2.gz TXUNBRYANRZKSX-LJQANCHMSA-N 1 0 398.425 4.209 20 0 GIADRO CC[C@@H](NC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1)c1nccs1 ZINC000121684204 823230280 /nfs/dbraw/zinc/23/02/80/823230280.db2.gz GAJBSRNITDBPPU-CVEARBPZSA-N 1 0 392.594 4.428 20 0 GIADRO Cc1ccc([C@@H](OC[C@@H](O)C[NH2+][C@@H](C)c2cncc(F)c2)c2ccccc2)cc1 ZINC000459620222 823230984 /nfs/dbraw/zinc/23/09/84/823230984.db2.gz HQJUBUULPXXLCU-NWVWQQAFSA-N 1 0 394.490 4.347 20 0 GIADRO C[C@H]([NH2+]CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)c1cncc(F)c1 ZINC000459624125 823231657 /nfs/dbraw/zinc/23/16/57/823231657.db2.gz ULMANZDRTZFGFJ-OYHNWAKOSA-N 1 0 395.503 4.107 20 0 GIADRO C[C@H]([NH2+]CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1)c1cncc(F)c1 ZINC000459625139 823231930 /nfs/dbraw/zinc/23/19/30/823231930.db2.gz XAAGFCMCYYMRAG-ZDUSSCGKSA-N 1 0 395.400 4.081 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)c1nc2c(s1)CCC2 ZINC000459629193 823232341 /nfs/dbraw/zinc/23/23/41/823232341.db2.gz DFOWQEOSYWMJCV-WDEREUQCSA-N 1 0 387.332 4.029 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)N(C)Cc1ccccc1)[NH+]1CCCCC1 ZINC000056934050 823232474 /nfs/dbraw/zinc/23/24/74/823232474.db2.gz DCLUCQKLGZQSEF-OAQYLSRUSA-N 1 0 381.520 4.064 20 0 GIADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@H](C(F)(F)F)C3(CCC3)C2)C1 ZINC000571779069 823233227 /nfs/dbraw/zinc/23/32/27/823233227.db2.gz GEFUIYMAGJNSHB-SJORKVTESA-N 1 0 389.506 4.119 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1sc(CC2CC2)nc1C ZINC000188415617 823237380 /nfs/dbraw/zinc/23/73/80/823237380.db2.gz SRYRBXHYALXZQL-UHFFFAOYSA-N 1 0 387.549 4.377 20 0 GIADRO Clc1cccc(-c2nnc(C[N@@H+]3C[C@H](c4ccccc4)[C@H]4COCC[C@@H]43)o2)c1 ZINC000571785182 823233892 /nfs/dbraw/zinc/23/38/92/823233892.db2.gz IODBZNZAVSKCRY-AQNXPRMDSA-N 1 0 395.890 4.395 20 0 GIADRO COc1ccc(NC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1SC ZINC000459646365 823237436 /nfs/dbraw/zinc/23/74/36/823237436.db2.gz BOSSVZAATUZQHF-SFHVURJKSA-N 1 0 399.560 4.103 20 0 GIADRO O=C(NCC1(c2ccc(Cl)cc2)CCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000056948808 823234181 /nfs/dbraw/zinc/23/41/81/823234181.db2.gz WODZWFXIWVOMKV-UHFFFAOYSA-N 1 0 375.944 4.078 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)N[C@H](c1ccco1)c1ccccc1)c1ccc(F)cc1 ZINC000056950223 823234432 /nfs/dbraw/zinc/23/44/32/823234432.db2.gz QRYXWAGHPQQKJD-FPOVZHCZSA-N 1 0 381.451 4.110 20 0 GIADRO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)CCCc1cccnc1 ZINC000459635717 823234623 /nfs/dbraw/zinc/23/46/23/823234623.db2.gz GPPRPQYDTTZQNG-JKSUJKDBSA-N 1 0 389.927 4.380 20 0 GIADRO C[C@@H](CCCc1cccnc1)[NH2+]Cc1csc(CC(=O)Nc2ccccc2)n1 ZINC000459636313 823234944 /nfs/dbraw/zinc/23/49/44/823234944.db2.gz KQVKFACELOUVCT-KRWDZBQOSA-N 1 0 394.544 4.220 20 0 GIADRO C[C@H](CCCc1cccnc1)[NH2+][C@@H](C)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000459638906 823235211 /nfs/dbraw/zinc/23/52/11/823235211.db2.gz JXTOFFPUJGLCOI-SQNIBIBYSA-N 1 0 379.504 4.395 20 0 GIADRO CC(C)C[C@@H]([NH3+])c1noc(C2CCN(c3noc4ccc(Cl)cc43)CC2)n1 ZINC000571799175 823235829 /nfs/dbraw/zinc/23/58/29/823235829.db2.gz BXOZVGBLIBRBPP-OAHLLOKOSA-N 1 0 389.887 4.294 20 0 GIADRO FC(F)(F)[C@H]1CC[N@H+](CCCc2ccc3c(c2)CCO3)CC12CCOCC2 ZINC000459642918 823236277 /nfs/dbraw/zinc/23/62/77/823236277.db2.gz CCZZBNCRSSJIQI-IBGZPJMESA-N 1 0 383.454 4.235 20 0 GIADRO C[C@H]([NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)c1cncc(F)c1 ZINC000459644322 823236743 /nfs/dbraw/zinc/23/67/43/823236743.db2.gz DUIRQGPXTCUDPI-ZDUSSCGKSA-N 1 0 378.373 4.335 20 0 GIADRO CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[NH2+][C@H](C)CCCc1cccnc1 ZINC000459645711 823237122 /nfs/dbraw/zinc/23/71/22/823237122.db2.gz RFDUPCHVKBVNMP-CVEARBPZSA-N 1 0 393.487 4.358 20 0 GIADRO CC[C@@H](C(=O)Nc1cccc(C(=O)NC(C)(C)C)c1)[N@H+](C)Cc1ccccc1 ZINC000571812907 823238496 /nfs/dbraw/zinc/23/84/96/823238496.db2.gz SIJCOVRHPKLQMT-FQEVSTJZSA-N 1 0 381.520 4.064 20 0 GIADRO COc1ccc(C[NH2+][C@H](C)CCCc2cccnc2)c(Br)c1O ZINC000459648445 823238572 /nfs/dbraw/zinc/23/85/72/823238572.db2.gz LCORJPCVRRCVRR-CYBMUJFWSA-N 1 0 379.298 4.059 20 0 GIADRO FC(F)(F)[C@H]1CC[N@H+](Cc2c(C3CC3)nc3sccn23)CC12CCOCC2 ZINC000459651645 823239491 /nfs/dbraw/zinc/23/94/91/823239491.db2.gz PQSOZELLRKOTFK-HNNXBMFYSA-N 1 0 399.482 4.454 20 0 GIADRO COc1cc(C[NH2+][C@H](C)CCCc2cccnc2)c(Br)cc1O ZINC000459653632 823240106 /nfs/dbraw/zinc/24/01/06/823240106.db2.gz SCHNJTLDGMNERS-CYBMUJFWSA-N 1 0 379.298 4.059 20 0 GIADRO CC[C@H](Cc1ccccc1)C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000571826227 823240329 /nfs/dbraw/zinc/24/03/29/823240329.db2.gz KHKDUGQDAWXSGY-JOCHJYFZSA-N 1 0 380.532 4.098 20 0 GIADRO COc1ccc2c(c1)CCC[C@H]2CC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000057030364 823240924 /nfs/dbraw/zinc/24/09/24/823240924.db2.gz SNULBOBBJSPAOI-RXVVDRJESA-N 1 0 382.504 4.052 20 0 GIADRO COc1ccc(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cc1SC ZINC000459657154 823241841 /nfs/dbraw/zinc/24/18/41/823241841.db2.gz FGJPNGOVWXNHIV-QAPCUYQASA-N 1 0 385.533 4.059 20 0 GIADRO COc1cccc([C@@H]2CCCN2C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)c1 ZINC000571835192 823241839 /nfs/dbraw/zinc/24/18/39/823241839.db2.gz LRWYMPFZSUIFBR-GCJKJVERSA-N 1 0 381.520 4.062 20 0 GIADRO CCOC(=O)CC(C)(C)CC[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459656761 823241866 /nfs/dbraw/zinc/24/18/66/823241866.db2.gz HUZPQOGSURSYNJ-OAHLLOKOSA-N 1 0 379.463 4.037 20 0 GIADRO FC(F)(F)[C@H]1CC[N@H+](Cc2conc2Cc2ccccc2)CC12CCOCC2 ZINC000459657426 823242187 /nfs/dbraw/zinc/24/21/87/823242187.db2.gz WVKAVEZDTPUSLR-IBGZPJMESA-N 1 0 394.437 4.446 20 0 GIADRO COc1ccc(CCCCC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cc1 ZINC000057040477 823242309 /nfs/dbraw/zinc/24/23/09/823242309.db2.gz ZSANHJOARQWBLS-UHFFFAOYSA-N 1 0 380.532 4.143 20 0 GIADRO Cc1cnn([C@H]2CC[N@H+](Cc3c(C)nn(Cc4ccc(Cl)cc4)c3C)C2)c1 ZINC000571843831 823244040 /nfs/dbraw/zinc/24/40/40/823244040.db2.gz NPOKVXHJMOGOQJ-FQEVSTJZSA-N 1 0 383.927 4.154 20 0 GIADRO C[NH+](C)Cc1cccc(NCc2cc(Br)c3c(c2)OCCCO3)c1 ZINC000121756520 823244229 /nfs/dbraw/zinc/24/42/29/823244229.db2.gz NCYGZRBIMZNWFN-UHFFFAOYSA-N 1 0 391.309 4.284 20 0 GIADRO Cc1cc(C[NH2+]Cc2ccccc2OCc2ccncc2)cc(N2CCCC2)n1 ZINC000571845546 823244409 /nfs/dbraw/zinc/24/44/09/823244409.db2.gz UCSZHSNGIBZIIA-UHFFFAOYSA-N 1 0 388.515 4.254 20 0 GIADRO COc1ccc(-c2noc(C[N@@H+]3CCCCC[C@H]3C[C@H](O)c3ccco3)n2)cc1 ZINC000121759081 823244836 /nfs/dbraw/zinc/24/48/36/823244836.db2.gz HLKIXLXFLLWYHJ-HKUYNNGSSA-N 1 0 397.475 4.207 20 0 GIADRO Cc1sc(CC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)nc1C(C)C ZINC000571849498 823245309 /nfs/dbraw/zinc/24/53/09/823245309.db2.gz TXJOTRYLDMWFKM-FUHWJXTLSA-N 1 0 377.598 4.230 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1cc2ccccc2s1 ZINC000188466821 823245347 /nfs/dbraw/zinc/24/53/47/823245347.db2.gz RLQXSRKKTHQEJO-OAHLLOKOSA-N 1 0 386.542 4.292 20 0 GIADRO CC[C@H](C)Oc1cc(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)ccc1OC ZINC000121765649 823245900 /nfs/dbraw/zinc/24/59/00/823245900.db2.gz HQGNVZUMTMXGCO-HKUYNNGSSA-N 1 0 394.519 4.295 20 0 GIADRO FC(F)(F)[C@@H]1CC[N@H+](Cc2cccc(-n3cccn3)c2)CC12CCOCC2 ZINC000459674722 823247910 /nfs/dbraw/zinc/24/79/10/823247910.db2.gz ZZTDKHJAXWQKBF-GOSISDBHSA-N 1 0 379.426 4.053 20 0 GIADRO FC(F)(F)[C@H]1CC[N@H+](CCCOCCc2ccccc2)CC12CCOCC2 ZINC000459668844 823246307 /nfs/dbraw/zinc/24/63/07/823246307.db2.gz UKQRRZSKBIMIGS-IBGZPJMESA-N 1 0 385.470 4.317 20 0 GIADRO CC(C)N(Cc1cccnc1)C(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000121771952 823247248 /nfs/dbraw/zinc/24/72/48/823247248.db2.gz SZLBXULHHSPXPQ-WOJBJXKFSA-N 1 0 394.563 4.158 20 0 GIADRO CC[C@@H]1C[C@H]([NH2+]C[C@H](O)CO[C@H](c2ccccc2)c2ccc(C)cc2)CCO1 ZINC000571874709 823248588 /nfs/dbraw/zinc/24/85/88/823248588.db2.gz DQMGYWHCUGJKII-UEQSERJNSA-N 1 0 383.532 4.009 20 0 GIADRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)CCCC3CCOCC3)cc2)C1 ZINC000409575644 823252545 /nfs/dbraw/zinc/25/25/45/823252545.db2.gz LMZXWAFJJKHNOV-PMACEKPBSA-N 1 0 386.580 4.378 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1occc1Br ZINC000176620411 823250557 /nfs/dbraw/zinc/25/05/57/823250557.db2.gz CGLKXUUDISOMHK-UHFFFAOYSA-N 1 0 381.270 4.015 20 0 GIADRO CC(C)[C@@H](C(=O)NCC1([NH+]2CCCCC2)CCOCC1)c1cccc(Cl)c1 ZINC000176621889 823250798 /nfs/dbraw/zinc/25/07/98/823250798.db2.gz CWXLZRRTYMYESD-HXUWFJFHSA-N 1 0 392.971 4.231 20 0 GIADRO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CCC(C(F)(F)F)CC1 ZINC000176621512 823250931 /nfs/dbraw/zinc/25/09/31/823250931.db2.gz MSXXLZMZWDEEOX-YQQQUEKLSA-N 1 0 395.469 4.166 20 0 GIADRO CC(C)OCC[NH+]1CCC(NC(=O)N(Cc2cccc(Cl)c2)C(C)C)CC1 ZINC000176623386 823251194 /nfs/dbraw/zinc/25/11/94/823251194.db2.gz RRMDHMRZKHVLDF-UHFFFAOYSA-N 1 0 395.975 4.149 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)Nc2cccc(Br)n2)CC1 ZINC000188501157 823251906 /nfs/dbraw/zinc/25/19/06/823251906.db2.gz GZSPHRWZOSQIIK-UHFFFAOYSA-N 1 0 397.361 4.210 20 0 GIADRO CC(C)OCC[NH+]1CCC(NC(=O)N2CCC[C@@H]2c2ccccc2Cl)CC1 ZINC000176626064 823252015 /nfs/dbraw/zinc/25/20/15/823252015.db2.gz JCIRQOLWPWHBGJ-HXUWFJFHSA-N 1 0 393.959 4.076 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1ccc(-c2ccccc2Cl)o1 ZINC000057165629 823257623 /nfs/dbraw/zinc/25/76/23/823257623.db2.gz JMNPUWRUDMIKOS-UHFFFAOYSA-N 1 0 395.890 4.389 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)N[C@@H](CC(F)(F)F)c1ccccc1)c1cccc(F)c1 ZINC000057131353 823253134 /nfs/dbraw/zinc/25/31/34/823253134.db2.gz VMCYJTDXMXOIBL-ROUUACIJSA-N 1 0 397.416 4.421 20 0 GIADRO CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC000188508766 823253222 /nfs/dbraw/zinc/25/32/22/823253222.db2.gz MCXOVHZAVMKEJK-INIZCTEOSA-N 1 0 399.501 4.391 20 0 GIADRO CCc1ccc(OCc2nnc(SCC[NH+](C)C)n2Cc2ccccc2)cc1 ZINC000409577584 823253242 /nfs/dbraw/zinc/25/32/42/823253242.db2.gz SPDUJDADTNLZLV-UHFFFAOYSA-N 1 0 396.560 4.122 20 0 GIADRO Brc1ccc(-c2cnc(CN3CC4(CCC4)[C@H]4COC[C@@H]43)o2)cc1 ZINC000459703800 823253404 /nfs/dbraw/zinc/25/34/04/823253404.db2.gz HHVQUFJGZWTRSD-HOTGVXAUSA-N 1 0 389.293 4.105 20 0 GIADRO Brc1ccc(-c2cnc(CN3CC4(CCC4)[C@@H]4COC[C@@H]43)o2)cc1 ZINC000459703799 823253519 /nfs/dbraw/zinc/25/35/19/823253519.db2.gz HHVQUFJGZWTRSD-CVEARBPZSA-N 1 0 389.293 4.105 20 0 GIADRO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)o1 ZINC000571916117 823253631 /nfs/dbraw/zinc/25/36/31/823253631.db2.gz RGDHHPDJSOCSEL-QZTJIDSGSA-N 1 0 394.475 4.091 20 0 GIADRO C[C@@H]([NH2+]CC1CCN(CC(F)(F)F)CC1)c1cc(Br)ccc1O ZINC000188511112 823253912 /nfs/dbraw/zinc/25/39/12/823253912.db2.gz GVRQWBYNZZJJCF-LLVKDONJSA-N 1 0 395.263 4.080 20 0 GIADRO CO[C@@](C)([C@H](C)[NH2+]CC(=O)Nc1c(Cl)cccc1C(F)(F)F)C1CC1 ZINC000411935574 823615013 /nfs/dbraw/zinc/61/50/13/823615013.db2.gz BILJJNBLYIULBP-QFYYESIMSA-N 1 0 378.822 4.091 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000057141157 823254221 /nfs/dbraw/zinc/25/42/21/823254221.db2.gz NWRZYVAOVXSRSS-OAQYLSRUSA-N 1 0 388.515 4.340 20 0 GIADRO C[C@@H](NC(=O)Cc1csc(-c2ccc(Cl)s2)n1)C(C)(C)C[NH+](C)C ZINC000176637673 823254639 /nfs/dbraw/zinc/25/46/39/823254639.db2.gz ODIZVKOLXFJCFU-LLVKDONJSA-N 1 0 385.986 4.160 20 0 GIADRO CC[C@H]1c2ccsc2CCN1C(=O)C[N@@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000571929681 823256001 /nfs/dbraw/zinc/25/60/01/823256001.db2.gz MGRSXAQLHRCVIC-WMZHIEFXSA-N 1 0 396.556 4.054 20 0 GIADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)Nc1cccc(OCC(F)(F)F)c1C ZINC000571929387 823256007 /nfs/dbraw/zinc/25/60/07/823256007.db2.gz HGDLCHNBWBECGY-CYBMUJFWSA-N 1 0 375.435 4.178 20 0 GIADRO C[NH+](C)CCCCCCCNC(=O)N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000188522822 823256127 /nfs/dbraw/zinc/25/61/27/823256127.db2.gz YYSDXJPDRIAIBQ-IBGZPJMESA-N 1 0 399.938 4.074 20 0 GIADRO Cc1cc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)ccc1N1CCCC1 ZINC000057155116 823256424 /nfs/dbraw/zinc/25/64/24/823256424.db2.gz HWYFATPXQQNMPQ-UHFFFAOYSA-N 1 0 377.532 4.446 20 0 GIADRO O=c1nc(C[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)[nH]c2sc3c(c21)CCC3 ZINC000057157863 823256951 /nfs/dbraw/zinc/25/69/51/823256951.db2.gz VRKRGEZMZFLKAH-SFHVURJKSA-N 1 0 385.920 4.368 20 0 GIADRO COc1ccc([C@H](CO)C[NH2+]Cc2cc(Br)c(Cl)s2)cc1 ZINC000459722814 823256969 /nfs/dbraw/zinc/25/69/69/823256969.db2.gz ABEWXYCGPWRGLB-NSHDSACASA-N 1 0 390.730 4.038 20 0 GIADRO C[C@@H](CNC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1)[NH+]1CCCCC1 ZINC000057164299 823257335 /nfs/dbraw/zinc/25/73/35/823257335.db2.gz KFEJGFPWGAEOLX-DLBZAZTESA-N 1 0 386.565 4.060 20 0 GIADRO CC(C)C(=O)Nc1cccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000057169078 823258254 /nfs/dbraw/zinc/25/82/54/823258254.db2.gz NHCBIVJMOQVLCR-UHFFFAOYSA-N 1 0 379.504 4.132 20 0 GIADRO COc1cc(Br)c(CNc2ccc(C[NH+](C)C)c(C)c2)cc1OC ZINC000459733425 823258420 /nfs/dbraw/zinc/25/84/20/823258420.db2.gz AQUOAOKOQYPBMJ-UHFFFAOYSA-N 1 0 393.325 4.448 20 0 GIADRO CO[C@](C)([C@@H](C)[NH2+]Cc1ccnc(-c2ccc(Br)cc2)n1)C1CC1 ZINC000411970600 823617239 /nfs/dbraw/zinc/61/72/39/823617239.db2.gz NJSIFGDFMCIYEA-BFUOFWGJSA-N 1 0 390.325 4.199 20 0 GIADRO COc1ccc(NC(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc1SC ZINC000459746495 823259424 /nfs/dbraw/zinc/25/94/24/823259424.db2.gz CAVFCFYMRABUPM-YJBOKZPZSA-N 1 0 385.533 4.202 20 0 GIADRO CO[C@@H]1C[C@H]([NH2+]CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)C12CCC2 ZINC000459774772 823263098 /nfs/dbraw/zinc/26/30/98/823263098.db2.gz UHEFNFPWBJQRFZ-QWHCGFSZSA-N 1 0 377.699 4.133 20 0 GIADRO COc1ccccc1CN(C(=O)C1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000057177399 823259704 /nfs/dbraw/zinc/25/97/04/823259704.db2.gz XCCMZHLNOXFXDU-UHFFFAOYSA-N 1 0 378.516 4.098 20 0 GIADRO CC(C)[NH2+]C1CCN(C(=O)NC[C@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000176659237 823259887 /nfs/dbraw/zinc/25/98/87/823259887.db2.gz PBHVDZLNXXFZBA-QFIPXVFZSA-N 1 0 379.548 4.185 20 0 GIADRO C[C@@H](C(=O)NCc1ccccc1OCC[NH+](C)C)c1ccc(C(F)(F)F)cc1 ZINC000409605667 823259953 /nfs/dbraw/zinc/25/99/53/823259953.db2.gz YYISRNINDHHSCA-OAHLLOKOSA-N 1 0 394.437 4.066 20 0 GIADRO C[C@@H](Cc1cccc(F)c1)[N@H+](C)Cc1nnc(-c2ccc(Br)o2)o1 ZINC000459748574 823260035 /nfs/dbraw/zinc/26/00/35/823260035.db2.gz DYKXKXBKCOPRRE-NSHDSACASA-N 1 0 394.244 4.294 20 0 GIADRO C[C@H]([NH2+][C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1cccc(CO)c1 ZINC000121836078 823260176 /nfs/dbraw/zinc/26/01/76/823260176.db2.gz CSLOQNQXGMXQSD-YWZLYKJASA-N 1 0 378.438 4.123 20 0 GIADRO C[C@@H](CC[NH2+][C@@H]1CCO[C@H]1c1cncc(Br)c1)c1ccccc1 ZINC000459752688 823260711 /nfs/dbraw/zinc/26/07/11/823260711.db2.gz BXYXJOYGTPAHHC-KYNGSXCRSA-N 1 0 375.310 4.458 20 0 GIADRO O=C(NCCCCC[NH+]1CCCCC1)Nc1cccc(-c2noc(C3CC3)n2)c1 ZINC000176664541 823261201 /nfs/dbraw/zinc/26/12/01/823261201.db2.gz UVEHHSLXTAHXBP-UHFFFAOYSA-N 1 0 397.523 4.392 20 0 GIADRO C[C@@H](Cc1cccc(F)c1)[N@H+](C)CC(=O)N[C@H](c1nccs1)c1ccccc1 ZINC000459757671 823261261 /nfs/dbraw/zinc/26/12/61/823261261.db2.gz HOTIGSLLNNAOLA-KKSFZXQISA-N 1 0 397.519 4.051 20 0 GIADRO C[C@@H](C[NH2+][C@@H]1CCO[C@H]1c1cncc(Br)c1)Cc1ccccc1 ZINC000459763088 823261891 /nfs/dbraw/zinc/26/18/91/823261891.db2.gz MINYKWZISFVMSG-ZMYBRWDISA-N 1 0 375.310 4.143 20 0 GIADRO CC[C@@H](NC(=O)NCc1ccccc1C[NH+]1CCCCCC1)c1ccncc1 ZINC000176670549 823263624 /nfs/dbraw/zinc/26/36/24/823263624.db2.gz RPAXMSKKUKMNHY-JOCHJYFZSA-N 1 0 380.536 4.408 20 0 GIADRO CS(=O)(=O)c1cccc([C@H]([NH2+]C[C@H]2CCC=CO2)c2ccc(Cl)cc2)c1 ZINC000188578589 823264690 /nfs/dbraw/zinc/26/46/90/823264690.db2.gz YKSJTJOKCXOOMH-UYAOXDASSA-N 1 0 391.920 4.115 20 0 GIADRO COc1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1SC ZINC000459783839 823264859 /nfs/dbraw/zinc/26/48/59/823264859.db2.gz VZOLFYBBFXZBGP-VQIMIIECSA-N 1 0 399.560 4.449 20 0 GIADRO CCc1nc2cc(CNC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)ccc2n1C1CC1 ZINC000571982023 823265151 /nfs/dbraw/zinc/26/51/51/823265151.db2.gz GLXOTOMKWBLADA-UHFFFAOYSA-N 1 0 397.567 4.042 20 0 GIADRO CC(C)c1csc(CNC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)n1 ZINC000121865491 823265679 /nfs/dbraw/zinc/26/56/79/823265679.db2.gz MWEYAPTZLKOKQX-SJORKVTESA-N 1 0 378.586 4.063 20 0 GIADRO CC(C)OCC[NH+]1CCC(NC(=O)CCCOc2cccc3ccccc32)CC1 ZINC000176690943 823268991 /nfs/dbraw/zinc/26/89/91/823268991.db2.gz LQARXRLAAUAYGU-UHFFFAOYSA-N 1 0 398.547 4.004 20 0 GIADRO CC[NH+](CC)CCOc1cc(NC(=O)c2ncsc2C(C)C)ccc1OC ZINC000571989041 823266208 /nfs/dbraw/zinc/26/62/08/823266208.db2.gz MVJUQUGVKPNAOM-UHFFFAOYSA-N 1 0 391.537 4.248 20 0 GIADRO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]C[C@H](O)COc1cccc2ccccc21 ZINC000121877083 823268271 /nfs/dbraw/zinc/26/82/71/823268271.db2.gz BZXZXMYMBDAIAI-APWZRJJASA-N 1 0 381.520 4.190 20 0 GIADRO C[C@@H]1C[NH+](CCCCNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C[C@@H](C)O1 ZINC000176689483 823268585 /nfs/dbraw/zinc/26/85/85/823268585.db2.gz SMLHEMBVQKCGJY-MUIFIZLQSA-N 1 0 399.362 4.103 20 0 GIADRO CCc1cnc(CNC(=O)NCc2ccccc2C[NH+]2CCCCCC2)s1 ZINC000176670616 823263553 /nfs/dbraw/zinc/26/35/53/823263553.db2.gz ORHFEPPHUFJSQJ-UHFFFAOYSA-N 1 0 386.565 4.081 20 0 GIADRO CC[NH+](CC)CCn1ccc2cc(NC(=O)CCc3nnc(C(C)C)o3)ccc21 ZINC000176694542 823269508 /nfs/dbraw/zinc/26/95/08/823269508.db2.gz FZBRMIOLJRGLAG-UHFFFAOYSA-N 1 0 397.523 4.061 20 0 GIADRO COc1cc([C@H](C)[NH2+]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)ccc1OC(F)F ZINC000188603896 823271115 /nfs/dbraw/zinc/27/11/15/823271115.db2.gz UGWMQFAETZSXDF-PLQHRBFRSA-N 1 0 397.384 4.431 20 0 GIADRO C[C@H]1CN(C(=O)c2ccc(Br)cc2Cl)CC[N@@H+](C2CCC2)C1 ZINC000572026634 823271173 /nfs/dbraw/zinc/27/11/73/823271173.db2.gz CXDVVCDNYGUBBD-GFCCVEGCSA-N 1 0 385.733 4.049 20 0 GIADRO CSCc1cccnc1C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000572052837 823275025 /nfs/dbraw/zinc/27/50/25/823275025.db2.gz MFXAVVLHQUOSHX-UHFFFAOYSA-N 1 0 383.561 4.251 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)C1(c2ccc(F)cc2)CCOCC1 ZINC000057266612 823273356 /nfs/dbraw/zinc/27/33/56/823273356.db2.gz ZVQOGGPFWLNRTB-UHFFFAOYSA-N 1 0 396.506 4.151 20 0 GIADRO Cc1c(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)cccc1-c1ccccn1 ZINC000121904910 823274113 /nfs/dbraw/zinc/27/41/13/823274113.db2.gz GHGIGMGZWUSUHI-QFIPXVFZSA-N 1 0 377.463 4.229 20 0 GIADRO CN(CC1CC[NH+](C)CC1)C(=O)c1cccn1-c1c(Cl)cccc1Cl ZINC000409656763 823275471 /nfs/dbraw/zinc/27/54/71/823275471.db2.gz OVGHDNGSIXDVDS-UHFFFAOYSA-N 1 0 380.319 4.198 20 0 GIADRO CC(C)(CNC(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccc(Cl)cc1 ZINC000057281745 823275562 /nfs/dbraw/zinc/27/55/62/823275562.db2.gz JIYCDQGLIKFABP-UHFFFAOYSA-N 1 0 377.960 4.135 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1)c1ccc(-n2cncn2)cc1 ZINC000121912191 823276031 /nfs/dbraw/zinc/27/60/31/823276031.db2.gz FDXVFQWTOQTINY-JKSUJKDBSA-N 1 0 375.476 4.028 20 0 GIADRO CCc1nc2cc(C[NH2+][C@H]3CCC[C@@H](c4ccnn4C)C3)ccc2n1C1CC1 ZINC000572063447 823276654 /nfs/dbraw/zinc/27/66/54/823276654.db2.gz XILUXCUVOPWJFI-MSOLQXFVSA-N 1 0 377.536 4.483 20 0 GIADRO Cc1cc(Br)c(C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cc1Cl ZINC000572068084 823277248 /nfs/dbraw/zinc/27/72/48/823277248.db2.gz UHYPGRVVRKFMGR-UHFFFAOYSA-N 1 0 387.749 4.357 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)N1CCC[C@H]1c1ccccc1Cl ZINC000121934599 823280159 /nfs/dbraw/zinc/28/01/59/823280159.db2.gz QXNWHEJTGFQAFE-NRFANRHFSA-N 1 0 398.938 4.246 20 0 GIADRO CC(C)C(=O)Nc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000176723949 823277981 /nfs/dbraw/zinc/27/79/81/823277981.db2.gz MPEGZWIEQRVYNZ-GCJKJVERSA-N 1 0 393.531 4.064 20 0 GIADRO CCS(=O)(=O)c1ccc(N2CCC([NH2+][C@@H]3CCc4c3cccc4C)CC2)cc1 ZINC000121964265 823285561 /nfs/dbraw/zinc/28/55/61/823285561.db2.gz QXUFSGWVQVAQMU-HSZRJFAPSA-N 1 0 398.572 4.035 20 0 GIADRO C[C@@H]([NH2+]C[C@](C)(O)C1CCCCC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000188665777 823282829 /nfs/dbraw/zinc/28/28/29/823282829.db2.gz FROJRGXPCYOELY-VGSWGCGISA-N 1 0 393.593 4.385 20 0 GIADRO COc1ccc(Cl)c(NC(=S)N(Cc2ccco2)C2CC[NH+](C)CC2)c1 ZINC000006792237 817718295 /nfs/dbraw/zinc/71/82/95/817718295.db2.gz SLTRZUGERJFUTF-UHFFFAOYSA-N 1 0 393.940 4.235 20 0 GIADRO CCN(C(=O)NCc1ccc(OCC[NH+](C)C)cc1)[C@@H](C)c1ccc(F)cc1 ZINC000121948912 823283176 /nfs/dbraw/zinc/28/31/76/823283176.db2.gz XUZBPXOMMAFZPH-KRWDZBQOSA-N 1 0 387.499 4.059 20 0 GIADRO Cc1ccc(Oc2ccc(NC(=O)N3CCC([C@@H]4[NH2+]CC4(C)C)CC3)cn2)cc1 ZINC000572100841 823283519 /nfs/dbraw/zinc/28/35/19/823283519.db2.gz KMADLPASTSVTDN-NRFANRHFSA-N 1 0 394.519 4.424 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(OCc3ccccc3)cc2)C1 ZINC000176760102 823286019 /nfs/dbraw/zinc/28/60/19/823286019.db2.gz NSADUCKXAGJKBH-HXUWFJFHSA-N 1 0 381.520 4.461 20 0 GIADRO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@@](C)(O)C1CCCCC1 ZINC000188676004 823284561 /nfs/dbraw/zinc/28/45/61/823284561.db2.gz PETQQGHWKVSGIU-AUUYWEPGSA-N 1 0 386.458 4.343 20 0 GIADRO C[NH+](C)Cc1ccccc1CNC(=O)CCCCc1nc2ccccc2s1 ZINC000007065659 817751236 /nfs/dbraw/zinc/75/12/36/817751236.db2.gz QTRFIPCHGKYVDJ-UHFFFAOYSA-N 1 0 381.545 4.387 20 0 GIADRO COc1ccc(C[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)c(OC)c1OC ZINC000121961341 823285186 /nfs/dbraw/zinc/28/51/86/823285186.db2.gz BBBHLURERLUXQI-IBGZPJMESA-N 1 0 383.488 4.205 20 0 GIADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)C1 ZINC000572119905 823286115 /nfs/dbraw/zinc/28/61/15/823286115.db2.gz BUBYPAKGNXFEPH-GOEBONIOSA-N 1 0 381.501 4.317 20 0 GIADRO C[C@@H]([NH2+]CCc1ccccc1OC(F)F)c1ccc(N2CCOC2=O)cc1 ZINC000188714514 823291202 /nfs/dbraw/zinc/29/12/02/823291202.db2.gz SQCDUOMGCGRUHX-CQSZACIVSA-N 1 0 376.403 4.138 20 0 GIADRO Cc1ncc(C[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)n1-c1ccccc1 ZINC000176765343 823287040 /nfs/dbraw/zinc/28/70/40/823287040.db2.gz BSQLTWLSEIYCKT-IBGZPJMESA-N 1 0 375.394 4.023 20 0 GIADRO Cc1ccc(COc2ccc([C@@H]3NC(=[NH2+])Nc4nc5ccccc5n43)cc2)cc1 ZINC000007127248 817767979 /nfs/dbraw/zinc/76/79/79/817767979.db2.gz VNJRWWPUKKUIDS-OAQYLSRUSA-N 1 0 383.455 4.020 20 0 GIADRO CCN1CCC([NH+]2CCC(C(=O)N[C@@H]3CCC[C@H](c4ccccc4)C3)CC2)CC1 ZINC000572132878 823288300 /nfs/dbraw/zinc/28/83/00/823288300.db2.gz QEPRDDVSIVUXPB-XZOQPEGZSA-N 1 0 397.607 4.025 20 0 GIADRO Cc1cc(NC2CCN(c3nccs3)CC2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000188700593 823288681 /nfs/dbraw/zinc/28/86/81/823288681.db2.gz PGIGMTDAAKKNFH-UHFFFAOYSA-N 1 0 399.608 4.063 20 0 GIADRO CCCOc1c(Cl)cc(C(=O)NCc2ccc3c(c2)C[NH2+]C3)cc1OCC ZINC000188703147 823288934 /nfs/dbraw/zinc/28/89/34/823288934.db2.gz WBXVKBACQPZDFV-UHFFFAOYSA-N 1 0 388.895 4.061 20 0 GIADRO CC[NH+](CC)CCOc1ccc(CNC(=O)Nc2cc(C)cc(C)c2)cc1OC ZINC000409715254 823289068 /nfs/dbraw/zinc/28/90/68/823289068.db2.gz PBAAQIVCUTZHGB-UHFFFAOYSA-N 1 0 399.535 4.354 20 0 GIADRO C[C@H]([NH2+]CCc1ccccc1OC(F)F)c1ncc(Br)s1 ZINC000188715870 823291583 /nfs/dbraw/zinc/29/15/83/823291583.db2.gz IYOONHOYIUUXIN-VIFPVBQESA-N 1 0 377.254 4.400 20 0 GIADRO CC[C@H]([NH2+]C1CCN(c2ccc(S(=O)(=O)CC)cc2)CC1)c1cccs1 ZINC000121987187 823289109 /nfs/dbraw/zinc/28/91/09/823289109.db2.gz JFHGWCKWHOLXSJ-IBGZPJMESA-N 1 0 392.590 4.251 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N2CCc3ccccc32)cc1OCC ZINC000007266835 817807876 /nfs/dbraw/zinc/80/78/76/817807876.db2.gz NYBZDZAJENJOLA-IRXDYDNUSA-N 1 0 382.504 4.112 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2OC)cc1OCC ZINC000007266824 817807906 /nfs/dbraw/zinc/80/79/06/817807906.db2.gz LXAOOPXEHPHENA-HZPDHXFCSA-N 1 0 386.492 4.170 20 0 GIADRO Cc1ccncc1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000460126938 823289860 /nfs/dbraw/zinc/28/98/60/823289860.db2.gz JJDKDVINZLMIFJ-LPHOPBHVSA-N 1 0 391.437 4.222 20 0 GIADRO CCN(C(=O)Nc1ccccc1OC(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000460129962 823290944 /nfs/dbraw/zinc/29/09/44/823290944.db2.gz WUARSABFKYJIHL-KRWDZBQOSA-N 1 0 389.446 4.416 20 0 GIADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2c2ccnc3c(Br)ccc(F)c23)C1 ZINC000409730002 823292502 /nfs/dbraw/zinc/29/25/02/823292502.db2.gz FURKJFCGCWMERA-IUODEOHRSA-N 1 0 378.289 4.057 20 0 GIADRO Cc1ccc(-c2ocnc2-c2nc(-c3cccc(OCC[NH+](C)C)c3)no2)cc1 ZINC000572163332 823292596 /nfs/dbraw/zinc/29/25/96/823292596.db2.gz DOGMLVOTLUYUMJ-UHFFFAOYSA-N 1 0 390.443 4.307 20 0 GIADRO CCc1cc2c(C[N@H+](C)Cc3cc(OC)c(OC)cc3C)cc(=O)oc2cc1O ZINC000007453846 817845374 /nfs/dbraw/zinc/84/53/74/817845374.db2.gz NWSKLUIWXPHTEB-UHFFFAOYSA-N 1 0 397.471 4.019 20 0 GIADRO FC1(F)CC[N@H+](Cc2ccccc2)C[C@@H]1c1nc(C2CCSCC2)no1 ZINC000572164331 823292900 /nfs/dbraw/zinc/29/29/00/823292900.db2.gz AJEAUXJHMZEIFM-MRXNPFEDSA-N 1 0 379.476 4.305 20 0 GIADRO O=C1Nc2ccccc2C12CCC([NH2+]CCc1ccccc1OC(F)F)CC2 ZINC000188722062 823292939 /nfs/dbraw/zinc/29/29/39/823292939.db2.gz RGMCDHIHBAGAHM-UHFFFAOYSA-N 1 0 386.442 4.253 20 0 GIADRO C[N@H+](CCCNC(=S)Nc1ccc(OC(F)(F)F)cc1)Cc1ccccc1 ZINC000007500894 817856060 /nfs/dbraw/zinc/85/60/60/817856060.db2.gz BKUUFSPLEXPKSL-UHFFFAOYSA-N 1 0 397.466 4.394 20 0 GIADRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)Nc1ccc2nc(Cc3ccccc3)oc2c1 ZINC000572170821 823294050 /nfs/dbraw/zinc/29/40/50/823294050.db2.gz KNIPNNQKLXAOBW-MRXNPFEDSA-N 1 0 380.492 4.269 20 0 GIADRO CCCCCC[C@@H](C)[NH2+]C1CCN(c2ccc(S(=O)(=O)CC)cc2)CC1 ZINC000122022822 823294470 /nfs/dbraw/zinc/29/44/70/823294470.db2.gz XJNZUECYOGAICK-GOSISDBHSA-N 1 0 380.598 4.398 20 0 GIADRO COc1ccc(NC(=S)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000007559712 817869355 /nfs/dbraw/zinc/86/93/55/817869355.db2.gz MJONPAPNHWYRNL-IBGZPJMESA-N 1 0 389.952 4.472 20 0 GIADRO CC(C)(C(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccccc1Br ZINC000409734808 823294710 /nfs/dbraw/zinc/29/47/10/823294710.db2.gz SDJBNTDMYJUDRZ-UHFFFAOYSA-N 1 0 393.369 4.061 20 0 GIADRO COc1cccc([C@@H](CNC(=O)Cc2ccc(-c3ccccc3)cc2)[NH+](C)C)c1 ZINC000007598275 817876125 /nfs/dbraw/zinc/87/61/25/817876125.db2.gz KIIGGNNOUYYXLZ-XMMPIXPASA-N 1 0 388.511 4.324 20 0 GIADRO COc1ccc(C(=O)NC2CC[NH+](CC3CCCC3)CC2)cc1-c1ccccn1 ZINC000122030827 823295969 /nfs/dbraw/zinc/29/59/69/823295969.db2.gz XYMOPDQHGJBSOP-UHFFFAOYSA-N 1 0 393.531 4.142 20 0 GIADRO C[C@H]1C[NH+](CCC2CCN(C(=O)Nc3cccc(Cl)c3F)CC2)C[C@H](C)O1 ZINC000176802552 823296416 /nfs/dbraw/zinc/29/64/16/823296416.db2.gz QCPDQYIDMHGEGW-GJZGRUSLSA-N 1 0 397.922 4.222 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H](C)CSCc1ccccc1 ZINC000122032294 823296389 /nfs/dbraw/zinc/29/63/89/823296389.db2.gz LSPBEWKXKFJJNS-LJQANCHMSA-N 1 0 397.588 4.255 20 0 GIADRO CCc1ccc([C@@H](CNC(=O)c2oc3ccc(OC)cc3c2C)[NH+](C)C)cc1 ZINC000007684708 817894338 /nfs/dbraw/zinc/89/43/38/817894338.db2.gz ZPHFFIYVVFYDDF-HXUWFJFHSA-N 1 0 380.488 4.345 20 0 GIADRO C[C@H]1C[NH+](CCC2CCN(C(=O)Nc3cc(Cl)ccc3F)CC2)C[C@H](C)O1 ZINC000176807717 823297923 /nfs/dbraw/zinc/29/79/23/823297923.db2.gz HJYQQYRQEGJRCQ-GJZGRUSLSA-N 1 0 397.922 4.222 20 0 GIADRO C[C@H]1CCC[N@H+](CCCCNC(=O)N(C)[C@H]2CC[C@@H](C(F)(F)F)CC2)C1 ZINC000460159758 823301624 /nfs/dbraw/zinc/30/16/24/823301624.db2.gz CJIXWSSJKIYFNN-YESZJQIVSA-N 1 0 377.495 4.261 20 0 GIADRO O=C1CCCN1Cc1ccc(C[NH2+]Cc2ccc(CSC(F)F)o2)cc1 ZINC000122073407 823302026 /nfs/dbraw/zinc/30/20/26/823302026.db2.gz NOFHXIXXSHLSBD-UHFFFAOYSA-N 1 0 380.460 4.148 20 0 GIADRO CCOC1CC(CC[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC000188778616 823303410 /nfs/dbraw/zinc/30/34/10/823303410.db2.gz MUBYNDFZGLNATN-UHFFFAOYSA-N 1 0 390.531 4.288 20 0 GIADRO C[C@H](NC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21)c1ccc(Oc2cccnc2)cc1 ZINC000572196010 823298117 /nfs/dbraw/zinc/29/81/17/823298117.db2.gz FCYPFCWSVBNHQH-JLMWRMLUSA-N 1 0 394.519 4.061 20 0 GIADRO Cc1cccnc1[C@@H](NC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000176810691 823298770 /nfs/dbraw/zinc/29/87/70/823298770.db2.gz ADSDZTANRXONBE-YADHBBJMSA-N 1 0 394.563 4.251 20 0 GIADRO COc1ccc2nc(C[NH2+][C@H]3CCO[C@H]3c3ccc(F)c(F)c3)sc2c1 ZINC000188760653 823299292 /nfs/dbraw/zinc/29/92/92/823299292.db2.gz AQPBHZMMPRDJMJ-LPHOPBHVSA-N 1 0 376.428 4.203 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)[C@@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)cc1F ZINC000122054658 823299360 /nfs/dbraw/zinc/29/93/60/823299360.db2.gz POLVPJJSFXQMBZ-QZTJIDSGSA-N 1 0 394.412 4.326 20 0 GIADRO CCCOc1ncccc1C[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000122059031 823300339 /nfs/dbraw/zinc/30/03/39/823300339.db2.gz MIQDBTMXPFKMSI-AWEZNQCLSA-N 1 0 395.425 4.396 20 0 GIADRO CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC000188801378 823308489 /nfs/dbraw/zinc/30/84/89/823308489.db2.gz VXSMUNKSIFVTPQ-KBXCAEBGSA-N 1 0 392.341 4.009 20 0 GIADRO CCN(C(=O)NC[C@@H](c1ccsc1)[NH+](CC)CC)[C@H]1CCOC(C)(C)C1 ZINC000460169656 823304463 /nfs/dbraw/zinc/30/44/63/823304463.db2.gz KTGOQLKFAVKSDK-ROUUACIJSA-N 1 0 381.586 4.120 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(OCC(F)(F)F)cc1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000572229868 823304984 /nfs/dbraw/zinc/30/49/84/823304984.db2.gz ZEJVPLILCDVZNR-LSDHHAIUSA-N 1 0 392.421 4.084 20 0 GIADRO C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+](C)Cc1ccc2ccccc2c1 ZINC000008226133 818020101 /nfs/dbraw/zinc/02/01/01/818020101.db2.gz MHZJUKFZAUOORY-INIZCTEOSA-N 1 0 376.456 4.070 20 0 GIADRO CN(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000008261674 818025770 /nfs/dbraw/zinc/02/57/70/818025770.db2.gz HXRJWZGIKMUPFG-GOSISDBHSA-N 1 0 379.529 4.134 20 0 GIADRO Cc1ccc([C@H]([NH2+]CC(=O)Nc2ccc3c(c2)OCCO3)c2ccccc2)cc1 ZINC000008265587 818026988 /nfs/dbraw/zinc/02/69/88/818026988.db2.gz QJSGTQMYKMVHDA-XMMPIXPASA-N 1 0 388.467 4.084 20 0 GIADRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000572241131 823306443 /nfs/dbraw/zinc/30/64/43/823306443.db2.gz NDLSYRJLXPXIKY-GOSISDBHSA-N 1 0 387.505 4.260 20 0 GIADRO CC(C)OCc1ccccc1CNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000572241590 823306477 /nfs/dbraw/zinc/30/64/77/823306477.db2.gz JXGBRJSNAIGEIX-JOCHJYFZSA-N 1 0 381.520 4.482 20 0 GIADRO COc1cc(OC)c(NC(=O)C[N@H+](Cc2ccccc2)C(C)C)cc1Cl ZINC000011035884 818046161 /nfs/dbraw/zinc/04/61/61/818046161.db2.gz SAGGTUALPMDTJQ-UHFFFAOYSA-N 1 0 376.884 4.206 20 0 GIADRO Cc1cc(NC(=O)[C@H](C)[NH2+]C[C@H](c2c[nH]c3ccccc32)c2ccccc2)on1 ZINC000011037499 818046754 /nfs/dbraw/zinc/04/67/54/818046754.db2.gz XYOXUMPVJKPLNL-LPHOPBHVSA-N 1 0 388.471 4.213 20 0 GIADRO C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]Cc1cccc(NS(C)(=O)=O)c1 ZINC000572265060 823309673 /nfs/dbraw/zinc/30/96/73/823309673.db2.gz BCKUYJHNDOZDJJ-MRXNPFEDSA-N 1 0 399.560 4.385 20 0 GIADRO CCn1c(-c2cc3ccccc3o2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000460200537 823314763 /nfs/dbraw/zinc/31/47/63/823314763.db2.gz YVXWLVHHPPTDKL-UHFFFAOYSA-N 1 0 379.508 4.166 20 0 GIADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1ccc(C)c(OC)c1C ZINC000176852515 823310003 /nfs/dbraw/zinc/31/00/03/823310003.db2.gz ASJUQEVASSIBOK-HXUWFJFHSA-N 1 0 396.535 4.225 20 0 GIADRO COc1cc(C)c(C[N@H+](C)Cc2ccc(SC(=O)N(C)C)cc2)cc1OC ZINC000176853881 823310144 /nfs/dbraw/zinc/31/01/44/823310144.db2.gz VGJWGQVKZJMLRJ-UHFFFAOYSA-N 1 0 388.533 4.418 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)NC12CC3CC(CC(C3)C1)C2)[NH+]1CCCC1 ZINC000057580488 823311568 /nfs/dbraw/zinc/31/15/68/823311568.db2.gz FTPDLHCWWYAFFQ-ZNKOEICNSA-N 1 0 397.563 4.100 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@H]1CCSc2ccccc21 ZINC000460196331 823313077 /nfs/dbraw/zinc/31/30/77/823313077.db2.gz WJDHEGAFNFLHFF-RXVVDRJESA-N 1 0 380.557 4.389 20 0 GIADRO C[C@@H]1C[NH+](CCC2CCN(C(=O)c3cccc(C4CCC4)c3)CC2)C[C@@H](C)O1 ZINC000409810168 823313214 /nfs/dbraw/zinc/31/32/14/823313214.db2.gz RCOCAIUZMQEWQU-RTBURBONSA-N 1 0 384.564 4.306 20 0 GIADRO CCOc1ccccc1NC(=O)C[N@H+](Cc1ccc(OC)cc1)[C@H](C)C1CC1 ZINC000057601426 823313331 /nfs/dbraw/zinc/31/33/31/823313331.db2.gz ZDMHBQSHHGVLMY-QGZVFWFLSA-N 1 0 382.504 4.333 20 0 GIADRO CC[NH+](CC)CCCNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000011922273 818129103 /nfs/dbraw/zinc/12/91/03/818129103.db2.gz VLCGUQZNNNKBBC-UHFFFAOYSA-N 1 0 376.504 4.001 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3oc4ccc(F)cc4c3C)cc2)CC1 ZINC000011948491 818132022 /nfs/dbraw/zinc/13/20/22/818132022.db2.gz PWTUGFBCYFCJRC-UHFFFAOYSA-N 1 0 381.451 4.275 20 0 GIADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)[C@@H]1CCN(c2ccccc2Cl)C1)c1ccco1 ZINC000572296792 823315815 /nfs/dbraw/zinc/31/58/15/823315815.db2.gz UOSRAUKHYFSDOV-JZXOWHBKSA-N 1 0 389.927 4.005 20 0 GIADRO CC[C@H](NC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1)c1c(C)noc1C ZINC000122168318 823315886 /nfs/dbraw/zinc/31/58/86/823315886.db2.gz GNXUYLVPAAMENT-NRFANRHFSA-N 1 0 398.551 4.474 20 0 GIADRO COc1cc(C)c(C[N@@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)cc1OC ZINC000572325075 823320862 /nfs/dbraw/zinc/32/08/62/823320862.db2.gz SPUQJGUZBGXECN-GOSISDBHSA-N 1 0 392.503 4.177 20 0 GIADRO COC(=O)CCN(C(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1cccc(F)c1 ZINC000460203742 823315967 /nfs/dbraw/zinc/31/59/67/823315967.db2.gz KFNYXWLEGHGZLH-UHFFFAOYSA-N 1 0 398.478 4.022 20 0 GIADRO CCOc1ccc(C(F)(F)F)cc1NC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000409821270 823316715 /nfs/dbraw/zinc/31/67/15/823316715.db2.gz SCNZUDQVAAZXRZ-UHFFFAOYSA-N 1 0 385.430 4.196 20 0 GIADRO CC[C@@H](NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)c1c(C)noc1C ZINC000122176951 823317174 /nfs/dbraw/zinc/31/71/74/823317174.db2.gz CUMMJIXAEXYYDU-HRAATJIYSA-N 1 0 398.551 4.474 20 0 GIADRO Cc1nc(CCCC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cs1 ZINC000176883331 823317187 /nfs/dbraw/zinc/31/71/87/823317187.db2.gz HYCBGVWMBXJVJI-UTKZUKDTSA-N 1 0 385.577 4.286 20 0 GIADRO CCn1c(-c2cc(C)oc2C)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000460208741 823317599 /nfs/dbraw/zinc/31/75/99/823317599.db2.gz GVBPIJHJQXBPJN-UHFFFAOYSA-N 1 0 393.535 4.276 20 0 GIADRO CCn1c(Cc2cccc3ccccc32)nnc1N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000460213953 823319294 /nfs/dbraw/zinc/31/92/94/823319294.db2.gz UGRMYVQIAWARDL-WIYYLYMNSA-N 1 0 389.547 4.105 20 0 GIADRO CCn1c(Cc2cccc3ccccc32)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000460213326 823319345 /nfs/dbraw/zinc/31/93/45/823319345.db2.gz UXQJLGKBAJZECP-PGRDOPGGSA-N 1 0 391.563 4.209 20 0 GIADRO CC[NH+](CC)CCOC(=O)c1ccc(NC(=S)N[C@H](C)c2ccccc2)cc1 ZINC000013749769 818215125 /nfs/dbraw/zinc/21/51/25/818215125.db2.gz YCYWAGWEXTTYMO-QGZVFWFLSA-N 1 0 399.560 4.233 20 0 GIADRO CC(C)(CNC(=O)c1cc(-c2ccncc2)nc2ccccc21)[NH+]1CCCCC1 ZINC000014060686 818218843 /nfs/dbraw/zinc/21/88/43/818218843.db2.gz OPEOVTALFPQUPQ-UHFFFAOYSA-N 1 0 388.515 4.291 20 0 GIADRO CC[C@H](NC(=O)NC1CC[NH+](Cc2cccc(C)c2)CC1)c1c(C)noc1C ZINC000122203205 823321257 /nfs/dbraw/zinc/32/12/57/823321257.db2.gz GDKDYMFEIBOBDX-FQEVSTJZSA-N 1 0 384.524 4.015 20 0 GIADRO CSc1ccccc1[C@@H](C)[NH2+][C@@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O ZINC000409837618 823321375 /nfs/dbraw/zinc/32/13/75/823321375.db2.gz SEHCVCKWIKLZSZ-WBMJQRKESA-N 1 0 382.451 4.175 20 0 GIADRO CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460221240 823322012 /nfs/dbraw/zinc/32/20/12/823322012.db2.gz MHEINUYVKUDTMZ-IHPCNDPISA-N 1 0 397.567 4.118 20 0 GIADRO CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000460221239 823322058 /nfs/dbraw/zinc/32/20/58/823322058.db2.gz MHEINUYVKUDTMZ-HOJAQTOUSA-N 1 0 397.567 4.118 20 0 GIADRO O=C(c1ccccc1)C1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000014413712 818243934 /nfs/dbraw/zinc/24/39/34/818243934.db2.gz PDUDZSODPKKQOF-UHFFFAOYSA-N 1 0 390.527 4.408 20 0 GIADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(NC(=O)c2ccco2)cc1 ZINC000122224967 823323899 /nfs/dbraw/zinc/32/38/99/823323899.db2.gz QJILXKKIDOEGIN-QZTJIDSGSA-N 1 0 399.491 4.067 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(C)cc2OCC(F)(F)F)C1 ZINC000176918872 823324395 /nfs/dbraw/zinc/32/43/95/823324395.db2.gz XGZFDYIRXKSYNF-OAHLLOKOSA-N 1 0 387.446 4.132 20 0 GIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2sccc2Br)C1 ZINC000409847483 823324423 /nfs/dbraw/zinc/32/44/23/823324423.db2.gz FQSSOUGXNQYIKC-GXTWGEPZSA-N 1 0 379.323 4.076 20 0 GIADRO CC(C)n1c(-c2c[nH]c3ccccc23)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000572355592 823326588 /nfs/dbraw/zinc/32/65/88/823326588.db2.gz JAZDRWNGOBTYRS-IRXDYDNUSA-N 1 0 378.524 4.070 20 0 GIADRO O=C(Nc1ccccc1O)C1CC[NH+](CCCOc2ccc(Cl)cc2)CC1 ZINC000015044551 818285969 /nfs/dbraw/zinc/28/59/69/818285969.db2.gz AXJCCHVSQGNFDA-UHFFFAOYSA-N 1 0 388.895 4.165 20 0 GIADRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cccc(Br)c2)cc1 ZINC000572345797 823325383 /nfs/dbraw/zinc/32/53/83/823325383.db2.gz IOQIGOMANVVHSA-CYBMUJFWSA-N 1 0 382.323 4.094 20 0 GIADRO Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000176924452 823325594 /nfs/dbraw/zinc/32/55/94/823325594.db2.gz RQBFBGXSNONJKE-UHFFFAOYSA-N 1 0 394.422 4.332 20 0 GIADRO C[NH+](C)[C@H](CNc1nc(-c2cccnc2)nc2ccccc21)Cc1ccccc1 ZINC000015128925 818293312 /nfs/dbraw/zinc/29/33/12/818293312.db2.gz BIEPRMCVUUTNDR-FQEVSTJZSA-N 1 0 383.499 4.277 20 0 GIADRO C[C@H](O)[C@@](C)(C[NH2+]C1CCC2(CC1)C(=O)Nc1ccccc12)Cc1ccccc1 ZINC000188910005 823326924 /nfs/dbraw/zinc/32/69/24/823326924.db2.gz JVUGSPIOGFBJHN-VZCAFRCYSA-N 1 0 392.543 4.039 20 0 GIADRO CCn1c(-c2ccc(Cl)cc2F)nnc1N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000460237752 823326975 /nfs/dbraw/zinc/32/69/75/823326975.db2.gz AZXFXPZHKMPJKN-DZGCQCFKSA-N 1 0 379.911 4.067 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)[C@H](C)C1 ZINC000122245902 823327018 /nfs/dbraw/zinc/32/70/18/823327018.db2.gz PUALWDBWCRYUOH-DNVCBOLYSA-N 1 0 396.560 4.198 20 0 GIADRO CCN(CCC[NH+](C)C)C(=O)c1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1 ZINC000188944986 823331734 /nfs/dbraw/zinc/33/17/34/823331734.db2.gz FGTRCKFGHPITFS-UHFFFAOYSA-N 1 0 392.503 4.126 20 0 GIADRO COc1ccc(C(=O)C(C(=S)Nc2ccc(F)cc2F)[n+]2ccccc2)cc1 ZINC000015246023 818302374 /nfs/dbraw/zinc/30/23/74/818302374.db2.gz SCUQLROQOSCFJF-UHFFFAOYSA-O 1 0 399.442 4.312 20 0 GIADRO C[NH+](C)Cc1ccnc(NC(=O)Cc2csc(-c3ccccc3Cl)n2)c1 ZINC000176931057 823327295 /nfs/dbraw/zinc/32/72/95/823327295.db2.gz YHSPHGHWIXUZPE-UHFFFAOYSA-N 1 0 386.908 4.101 20 0 GIADRO CCn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC[N@H+](CC)CC1 ZINC000460238627 823327239 /nfs/dbraw/zinc/32/72/39/823327239.db2.gz XPHHCBUTXRLHIN-GOSISDBHSA-N 1 0 393.535 4.123 20 0 GIADRO C[NH+](C)Cc1ccc(C(=O)N2CCC[C@@H](COc3ccccc3Cl)C2)cc1 ZINC000122247795 823327439 /nfs/dbraw/zinc/32/74/39/823327439.db2.gz OODYXOMJGBUXHA-GOSISDBHSA-N 1 0 386.923 4.333 20 0 GIADRO C[C@@H](CC(=O)NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1)C1CC[NH2+]CC1 ZINC000572361702 823327482 /nfs/dbraw/zinc/32/74/82/823327482.db2.gz YXJOSRJIYUEHCG-ZDUSSCGKSA-N 1 0 386.433 4.018 20 0 GIADRO O=C(c1ccc(-c2ccc(Br)s2)s1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000572361526 823327570 /nfs/dbraw/zinc/32/75/70/823327570.db2.gz PXFBTDHFEPLEAQ-GHMZBOCLSA-N 1 0 397.363 4.063 20 0 GIADRO O=C(c1ccc(-c2ccc(Br)s2)s1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000572361529 823327599 /nfs/dbraw/zinc/32/75/99/823327599.db2.gz PXFBTDHFEPLEAQ-WDEREUQCSA-N 1 0 397.363 4.063 20 0 GIADRO CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[N@H+](C)[C@H]1CCCc2ccccc21 ZINC000015291837 818307154 /nfs/dbraw/zinc/30/71/54/818307154.db2.gz HXJPBKAHQHYKTI-NRFANRHFSA-N 1 0 396.531 4.062 20 0 GIADRO C[C@H](CC(=O)NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1)C1CC[NH2+]CC1 ZINC000572361701 823327671 /nfs/dbraw/zinc/32/76/71/823327671.db2.gz YXJOSRJIYUEHCG-CYBMUJFWSA-N 1 0 386.433 4.018 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)CCc2ccc(O)cc2)CC1 ZINC000572361760 823327777 /nfs/dbraw/zinc/32/77/77/823327777.db2.gz LOBLBHIJZFXNDI-UHFFFAOYSA-N 1 0 388.895 4.090 20 0 GIADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000460239741 823327920 /nfs/dbraw/zinc/32/79/20/823327920.db2.gz SRNBPPZTBGRXIL-LLVKDONJSA-N 1 0 375.847 4.135 20 0 GIADRO COc1ccc(NC(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)cc1F ZINC000057753780 823328714 /nfs/dbraw/zinc/32/87/14/823328714.db2.gz NFJUWGQXJAWYLH-GOSISDBHSA-N 1 0 391.874 4.446 20 0 GIADRO CCOC(=O)Nc1ccc2c(C[N@@H+]3CCC[C@@H]3c3cccn3C)cc(=O)oc2c1 ZINC000015521861 818333896 /nfs/dbraw/zinc/33/38/96/818333896.db2.gz RVEDKVQOHKRQCF-LJQANCHMSA-N 1 0 395.459 4.037 20 0 GIADRO C[C@H]([NH2+]C1(CNC(=O)NCC2(C)CCCCC2)CCOCC1)c1ccccc1 ZINC000460244746 823329324 /nfs/dbraw/zinc/32/93/24/823329324.db2.gz SRFQAAHEIZCYAF-IBGZPJMESA-N 1 0 387.568 4.156 20 0 GIADRO O=C(CC[NH+]1CCC(Oc2ccc(F)cc2F)CC1)Nc1ccc(Cl)cc1 ZINC000572375961 823329325 /nfs/dbraw/zinc/32/93/25/823329325.db2.gz LAYXQFYUFTZDIH-UHFFFAOYSA-N 1 0 394.849 4.490 20 0 GIADRO Cc1nn(C)c(C)c1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000015581325 818342095 /nfs/dbraw/zinc/34/20/95/818342095.db2.gz AABUANMAMSCAAV-UHFFFAOYSA-N 1 0 389.478 4.319 20 0 GIADRO O=C(NC1CC(c2ccccc2)C1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460246842 823329748 /nfs/dbraw/zinc/32/97/48/823329748.db2.gz KXZJCPBYTMDCGM-RFQWIFLJSA-N 1 0 389.543 4.096 20 0 GIADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(Cl)cc2OC(F)F)C1 ZINC000460247511 823329843 /nfs/dbraw/zinc/32/98/43/823329843.db2.gz ONRVMCNBGPNNLV-GFCCVEGCSA-N 1 0 375.847 4.041 20 0 GIADRO C[C@H](CCCC(F)(F)F)NC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000572382448 823329803 /nfs/dbraw/zinc/32/98/03/823329803.db2.gz XNHRNHZMIVVMMT-DOMZBBRYSA-N 1 0 379.854 4.363 20 0 GIADRO CCOc1ccccc1Oc1ccccc1C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000572393066 823332157 /nfs/dbraw/zinc/33/21/57/823332157.db2.gz XWFQHUROHRMQBO-QHCPKHFHSA-N 1 0 380.488 4.093 20 0 GIADRO Cc1cc(Br)cc(C)c1NC(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000057772913 823330872 /nfs/dbraw/zinc/33/08/72/823330872.db2.gz WTLQJGRSQPMMSN-SWLSCSKDSA-N 1 0 382.346 4.308 20 0 GIADRO CC[C@H](C)c1nnc(N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)n1CC ZINC000460253468 823331586 /nfs/dbraw/zinc/33/15/86/823331586.db2.gz SPRMAQNIZXXFJQ-CVDCTZTESA-N 1 0 381.568 4.304 20 0 GIADRO Cn1ccnc1[C@H]1CCN(C(=O)c2cccn2-c2c(Cl)cccc2Cl)C1 ZINC000409874651 823332611 /nfs/dbraw/zinc/33/26/11/823332611.db2.gz LBGSGGINPLKNFA-ZDUSSCGKSA-N 1 0 389.286 4.147 20 0 GIADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)Nc2nnc(-c3ccsc3)s2)C1 ZINC000057787284 823332827 /nfs/dbraw/zinc/33/28/27/823332827.db2.gz ZNQNMAFRSPYDCQ-ZIAGYGMSSA-N 1 0 393.582 4.146 20 0 GIADRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3nc(-c4ccccc4Cl)cs3)[C@@H]2C1 ZINC000572401482 823332906 /nfs/dbraw/zinc/33/29/06/823332906.db2.gz BGMGJEQBEZKLNG-LESCRADOSA-N 1 0 389.952 4.200 20 0 GIADRO O=C(Cc1ccc(Cl)c(Cl)c1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000015988771 818381507 /nfs/dbraw/zinc/38/15/07/818381507.db2.gz ZUXUEQLBWWAMEB-QGZVFWFLSA-N 1 0 381.303 4.472 20 0 GIADRO Cc1ccc(-c2nc(CC[NH2+][C@@H]3CCC[C@H]3NC(=O)OC(C)(C)C)co2)cc1 ZINC000122293536 823333657 /nfs/dbraw/zinc/33/36/57/823333657.db2.gz JVIAWWVUDDTTAF-RTBURBONSA-N 1 0 385.508 4.228 20 0 GIADRO C[NH+](C)[C@H](CNC(=S)Nc1cccc(C(F)(F)F)c1)Cc1ccccc1 ZINC000016242238 818409667 /nfs/dbraw/zinc/40/96/67/818409667.db2.gz ILIALVDTQGHCGT-KRWDZBQOSA-N 1 0 381.467 4.165 20 0 GIADRO COc1cccc([C@H](CNC(=S)Nc2ccc(F)cc2F)[NH+]2CCCC2)c1 ZINC000016244955 818410263 /nfs/dbraw/zinc/41/02/63/818410263.db2.gz GOFGTVRIDRFEBD-IBGZPJMESA-N 1 0 391.487 4.097 20 0 GIADRO CCN(CCC[NH+](C)C)C(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000188962789 823334898 /nfs/dbraw/zinc/33/48/98/823334898.db2.gz JKGMUPPTUXWWRU-UHFFFAOYSA-N 1 0 377.488 4.422 20 0 GIADRO CCc1ccc(NC(=S)NC[C@H](c2cccc(OC)c2)[NH+]2CCCC2)cc1 ZINC000016244990 818410996 /nfs/dbraw/zinc/41/09/96/818410996.db2.gz UQTLENKLHYWQSL-OAQYLSRUSA-N 1 0 383.561 4.381 20 0 GIADRO COc1cccc([C@H](CNC(=S)Nc2ccc(C(C)=O)cc2)[NH+]2CCCC2)c1 ZINC000016244981 818411148 /nfs/dbraw/zinc/41/11/48/818411148.db2.gz HONGNUBELCUMBY-NRFANRHFSA-N 1 0 397.544 4.021 20 0 GIADRO Cc1c(NC(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)cccc1OCC(F)(F)F ZINC000122305192 823335474 /nfs/dbraw/zinc/33/54/74/823335474.db2.gz HIURJUPRRZDVRC-OAHLLOKOSA-N 1 0 387.446 4.036 20 0 GIADRO COc1ccc([C@@H](CNC(=S)Nc2ccccc2F)[NH+]2CCCCC2)cc1 ZINC000016318398 818423241 /nfs/dbraw/zinc/42/32/41/818423241.db2.gz ZWUGRKUEYUQKAV-HXUWFJFHSA-N 1 0 387.524 4.348 20 0 GIADRO Cc1nn(Cc2ccccc2Cl)c(C)c1CN1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000572430644 823337675 /nfs/dbraw/zinc/33/76/75/823337675.db2.gz HQUQFPZWRJQGDJ-YADHBBJMSA-N 1 0 385.939 4.345 20 0 GIADRO C[NH+](C)CCCC1CCN(C(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000188971079 823336144 /nfs/dbraw/zinc/33/61/44/823336144.db2.gz AXMSVXJFRANZGM-UHFFFAOYSA-N 1 0 382.470 4.317 20 0 GIADRO O=C(COC(=O)c1ccc(C[NH+]2CCCCC2)cc1)Nc1ccc(Cl)cc1 ZINC000016402035 818436100 /nfs/dbraw/zinc/43/61/00/818436100.db2.gz FGRFHUHEZRTGQY-UHFFFAOYSA-N 1 0 386.879 4.121 20 0 GIADRO O=C(COC(=O)c1ccc(C[NH+]2CCCCC2)cc1)Nc1ccccc1Cl ZINC000016401956 818436236 /nfs/dbraw/zinc/43/62/36/818436236.db2.gz FNGLEJLQXDLKHC-UHFFFAOYSA-N 1 0 386.879 4.121 20 0 GIADRO CSc1ccc(Cl)c(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000188974135 823336626 /nfs/dbraw/zinc/33/66/26/823336626.db2.gz KUWYFFJTHDSXEC-FZKQIMNGSA-N 1 0 396.890 4.216 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[C@@H](c2ccccc2OC)C1 ZINC000122314137 823336698 /nfs/dbraw/zinc/33/66/98/823336698.db2.gz WJJXBEGYXZHWOM-OAQYLSRUSA-N 1 0 395.547 4.236 20 0 GIADRO Fc1ccc(NC(=S)Nc2ccc(CC[NH+]3CCSCC3)cc2)c(F)c1 ZINC000057817458 823336911 /nfs/dbraw/zinc/33/69/11/823336911.db2.gz QUCYBAFBWDRJJA-UHFFFAOYSA-N 1 0 393.528 4.365 20 0 GIADRO Cc1nc(-c2cccs2)ccc1C(=O)N(C)CCC[N@H+](C)Cc1ccncc1 ZINC000572437932 823338947 /nfs/dbraw/zinc/33/89/47/823338947.db2.gz YWTKGZNAGMQNJH-UHFFFAOYSA-N 1 0 394.544 4.108 20 0 GIADRO CC[C@@H]([NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1)c1ccc(OC)c(OC)c1 ZINC000122336309 823339883 /nfs/dbraw/zinc/33/98/83/823339883.db2.gz LTBXOWATRACEJE-JOCHJYFZSA-N 1 0 397.563 4.480 20 0 GIADRO c1c(C[NH2+]Cc2ccc3c(c2)OCO3)c(-c2cccnc2)nn1Cc1ccccc1 ZINC000017309739 818506886 /nfs/dbraw/zinc/50/68/86/818506886.db2.gz UCETWWBJRICCGH-UHFFFAOYSA-N 1 0 398.466 4.012 20 0 GIADRO COc1ccccc1OCC[NH2+]Cc1c(C)nn(Cc2ccc(C)cc2)c1Cl ZINC000017312059 818507831 /nfs/dbraw/zinc/50/78/31/818507831.db2.gz ZXPYJMSVTLSIGT-UHFFFAOYSA-N 1 0 399.922 4.379 20 0 GIADRO c1c(C[NH2+]CCOc2ccccc2)c(-c2cccnc2)nn1Cc1ccccc1 ZINC000017313280 818508537 /nfs/dbraw/zinc/50/85/37/818508537.db2.gz JBJCKYQMPITITN-UHFFFAOYSA-N 1 0 384.483 4.162 20 0 GIADRO Cc1cc(OCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)ccc1C(C)C ZINC000017362824 818512544 /nfs/dbraw/zinc/51/25/44/818512544.db2.gz WJTPLDUGBUVVEX-UHFFFAOYSA-N 1 0 380.532 4.278 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=S)Nc1ccc(C(C)=O)cc1)c1cccc(OC)c1 ZINC000017516688 818517989 /nfs/dbraw/zinc/51/79/89/818517989.db2.gz SYBZRHZHRXSHGH-NRFANRHFSA-N 1 0 399.560 4.267 20 0 GIADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@@H](C)Cc1ccsc1 ZINC000057856162 823342142 /nfs/dbraw/zinc/34/21/42/823342142.db2.gz VHOOKOWPDGPQCG-INIZCTEOSA-N 1 0 379.595 4.294 20 0 GIADRO CC1CC[NH+]([C@H](CNC(=O)N2CCC[C@H]2c2cccn2C)c2ccccc2)CC1 ZINC000057855129 823342238 /nfs/dbraw/zinc/34/22/38/823342238.db2.gz DKFDWYOAFKCHJS-XZOQPEGZSA-N 1 0 394.563 4.345 20 0 GIADRO Fc1ccc(Cn2cc(C[NH2+]Cc3ccc(OCC(F)(F)F)cc3)cn2)cc1 ZINC000189012476 823342306 /nfs/dbraw/zinc/34/23/06/823342306.db2.gz WPBKUADRCOGNFB-UHFFFAOYSA-N 1 0 393.384 4.301 20 0 GIADRO Cn1ncc2ccc(C[NH2+]C3CCN(Cc4c(F)cccc4Cl)CC3)cc21 ZINC000572453103 823342778 /nfs/dbraw/zinc/34/27/78/823342778.db2.gz CLIRPFALZMJJMG-UHFFFAOYSA-N 1 0 386.902 4.120 20 0 GIADRO Cc1[nH]c2ccccc2c1CC(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000122400431 823349252 /nfs/dbraw/zinc/34/92/52/823349252.db2.gz MRKMWVLHFFRVRT-UHFFFAOYSA-N 1 0 390.531 4.188 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@H]2CCN(Cc3ccc(F)cc3)C2=O)ccc1SC ZINC000189034321 823345259 /nfs/dbraw/zinc/34/52/59/823345259.db2.gz NZBMYGZOKQQGIG-KSSFIOAISA-N 1 0 388.508 4.008 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1cc(OC)cc(OC)c1)c1ccccc1Cl ZINC000018227288 818557766 /nfs/dbraw/zinc/55/77/66/818557766.db2.gz FQCIGLXWPQYINE-HXUWFJFHSA-N 1 0 390.911 4.170 20 0 GIADRO CC(C)c1c(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)cnn1-c1ccccn1 ZINC000572480859 823347243 /nfs/dbraw/zinc/34/72/43/823347243.db2.gz YPUFJJQIGSRRQT-FQEVSTJZSA-N 1 0 389.503 4.192 20 0 GIADRO COc1ccccc1[C@H](CNC(=S)Nc1ccc(C)c(F)c1)[NH+]1CCCC1 ZINC000018925444 818581083 /nfs/dbraw/zinc/58/10/83/818581083.db2.gz IXQLELLSFAKVCA-IBGZPJMESA-N 1 0 387.524 4.266 20 0 GIADRO CCn1c(-c2sccc2C)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000460307399 823347595 /nfs/dbraw/zinc/34/75/95/823347595.db2.gz TUIWSMUGKDXUOQ-UHFFFAOYSA-N 1 0 395.576 4.436 20 0 GIADRO COc1cc(NC(=O)C[NH2+][C@H](Cc2ccccc2)c2ccccc2)cc(OC)c1 ZINC000019538758 818593873 /nfs/dbraw/zinc/59/38/73/818593873.db2.gz NBDPQHLLHUTDHA-HSZRJFAPSA-N 1 0 390.483 4.216 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[NH2+][C@@H](Cc2ccccc2)c2ccccc2)c1 ZINC000019538661 818593901 /nfs/dbraw/zinc/59/39/01/818593901.db2.gz YAROYACAQPTEIA-NRFANRHFSA-N 1 0 390.483 4.216 20 0 GIADRO CCOC(=O)[C@H]1CC[C@@H]([NH2+]Cc2ccccc2-n2ccnc2)c2ccccc21 ZINC000572491957 823348890 /nfs/dbraw/zinc/34/88/90/823348890.db2.gz AFNNUIFOVJUEJB-LEWJYISDSA-N 1 0 375.472 4.144 20 0 GIADRO COc1ccc([C@H]2CCCCC[N@@H+]2C[C@H](O)COc2cccc(C(C)=O)c2)cc1 ZINC000057974273 823351929 /nfs/dbraw/zinc/35/19/29/823351929.db2.gz PDJZDQCQJKKBQC-XUZZJYLKSA-N 1 0 397.515 4.255 20 0 GIADRO [NH3+][C@H](CCC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1)CC1CCCCC1 ZINC000572517304 823352391 /nfs/dbraw/zinc/35/23/91/823352391.db2.gz KUDJUVQQDPTSDP-LJQANCHMSA-N 1 0 382.552 4.347 20 0 GIADRO COCCC1(C[NH2+]CC2(c3ccc(OC)cc3)CCOCC2)CCCCC1 ZINC000189079888 823354025 /nfs/dbraw/zinc/35/40/25/823354025.db2.gz XYFCQIBUGJQYHP-UHFFFAOYSA-N 1 0 375.553 4.320 20 0 GIADRO c1c(C[NH2+]CCCOC[C@@H]2CCCO2)c(-c2ccccc2)nn1-c1ccccc1 ZINC000058013599 823354725 /nfs/dbraw/zinc/35/47/25/823354725.db2.gz QBKRVWRIASXCHS-QHCPKHFHSA-N 1 0 391.515 4.215 20 0 GIADRO CCCc1noc2nc(CC)cc(C(=O)Nc3ccccc3CC[NH+](C)C)c12 ZINC000409945325 823350118 /nfs/dbraw/zinc/35/01/18/823350118.db2.gz ZSNUSFFBWFSIJE-UHFFFAOYSA-N 1 0 380.492 4.094 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cccc(Cl)c1Cl ZINC000021319078 818674408 /nfs/dbraw/zinc/67/44/08/818674408.db2.gz INBDERNEPJRWJY-UHFFFAOYSA-N 1 0 378.303 4.306 20 0 GIADRO Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)c1 ZINC000021319123 818674634 /nfs/dbraw/zinc/67/46/34/818674634.db2.gz SDTJVHXDQVIROT-UHFFFAOYSA-N 1 0 395.547 4.196 20 0 GIADRO CC1(C)CC(NC(=O)CCc2ncc(-c3ccccc3Cl)o2)CC(C)(C)[NH2+]1 ZINC000021473080 818692214 /nfs/dbraw/zinc/69/22/14/818692214.db2.gz WFHOKAKDFWMCAC-UHFFFAOYSA-N 1 0 389.927 4.353 20 0 GIADRO CO[C@@H](CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccc(Cl)cc1 ZINC000460332416 823356188 /nfs/dbraw/zinc/35/61/88/823356188.db2.gz ZEDRXQZXTILRAZ-NRFANRHFSA-N 1 0 386.923 4.443 20 0 GIADRO CCCC[C@H]1CCC[C@H]1[NH2+]Cc1nnc(C(=O)NCc2ccc(F)cc2)s1 ZINC000460351870 823361132 /nfs/dbraw/zinc/36/11/32/823361132.db2.gz ZQRXZQVJBKCNIL-DOTOQJQBSA-N 1 0 390.528 4.056 20 0 GIADRO O=C(NCC1([NH+]2CCCCC2)CCCCC1)Nc1cccc(Cn2cccn2)c1 ZINC000058054441 823357806 /nfs/dbraw/zinc/35/78/06/823357806.db2.gz LRHZMEFSDXIFDC-UHFFFAOYSA-N 1 0 395.551 4.242 20 0 GIADRO COc1ccc([C@@H]2CCCCC[N@@H+]2Cc2cc(=O)n3cc(Cl)ccc3n2)cc1 ZINC000021673105 818723843 /nfs/dbraw/zinc/72/38/43/818723843.db2.gz BAGBNSMLWYYHHO-FQEVSTJZSA-N 1 0 397.906 4.474 20 0 GIADRO CCCOc1c(Br)cc(CNC[C@H]2CC[N@@H+](C(C)C)C2)cc1OC ZINC000058061138 823358500 /nfs/dbraw/zinc/35/85/00/823358500.db2.gz SBUAMKRYCDYQCN-OAHLLOKOSA-N 1 0 399.373 4.066 20 0 GIADRO C[C@@H]1CN(C(=O)N[C@@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)CCC1(F)F ZINC000460339976 823358417 /nfs/dbraw/zinc/35/84/17/823358417.db2.gz QYRKCHAYXQJJAM-APWZRJJASA-N 1 0 393.522 4.146 20 0 GIADRO CCOc1ccc(-c2nc(C(=O)N(C)[C@@H]3CC[N@H+](CC)C[C@H]3C)cs2)cc1 ZINC000122468094 823358837 /nfs/dbraw/zinc/35/88/37/823358837.db2.gz DCJNYAFXNHCTOJ-DNVCBOLYSA-N 1 0 387.549 4.011 20 0 GIADRO CCOc1ccc(-c2nc(C(=O)N(C)[C@H]3CC[N@H+](CC)C[C@H]3C)cs2)cc1 ZINC000122467856 823358901 /nfs/dbraw/zinc/35/89/01/823358901.db2.gz DCJNYAFXNHCTOJ-BEFAXECRSA-N 1 0 387.549 4.011 20 0 GIADRO CC(C)CCn1ncc(NC(=O)N2CCCC23CC[NH+](C)CC3)c1C(C)C ZINC000572550258 823359093 /nfs/dbraw/zinc/35/90/93/823359093.db2.gz UVEBKSIRWSQHOK-UHFFFAOYSA-N 1 0 375.561 4.145 20 0 GIADRO Cc1nc(CN2CCC(C[NH2+][C@@H](C)CCc3ccc(F)cc3F)CC2)oc1C ZINC000572548790 823359151 /nfs/dbraw/zinc/35/91/51/823359151.db2.gz PXXRWMMGXLMNOC-HNNXBMFYSA-N 1 0 391.506 4.393 20 0 GIADRO CCCC[C@@H](C)N(C)C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000460345698 823359615 /nfs/dbraw/zinc/35/96/15/823359615.db2.gz HIILQSAKYJBFRZ-QZTJIDSGSA-N 1 0 392.563 4.249 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(OCC(F)(F)F)c(C)c2)C1 ZINC000177051644 823359757 /nfs/dbraw/zinc/35/97/57/823359757.db2.gz SEPXZBNUSQWXTE-OAHLLOKOSA-N 1 0 387.446 4.132 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)C[C@@H](C)c3c(C)noc3C)C2)s1 ZINC000572556190 823360067 /nfs/dbraw/zinc/36/00/67/823360067.db2.gz AXBIQTRAIHYEJQ-KDOFPFPSSA-N 1 0 389.565 4.135 20 0 GIADRO Cc1ccc(C)c(C(=O)CCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000021939729 818758220 /nfs/dbraw/zinc/75/82/20/818758220.db2.gz BXILDVTVNKYHPU-UHFFFAOYSA-N 1 0 378.516 4.179 20 0 GIADRO Cc1noc2nc(-c3ccccc3)cc(C(=O)NC[C@@H]3CCC[N@@H+](C(C)C)C3)c12 ZINC000409978873 823360815 /nfs/dbraw/zinc/36/08/15/823360815.db2.gz RRQUYFKPQXMJKJ-KRWDZBQOSA-N 1 0 392.503 4.048 20 0 GIADRO CC(C)(Cc1ccc(C(F)(F)F)cc1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000189156770 823366934 /nfs/dbraw/zinc/36/69/34/823366934.db2.gz QHGUEWDRUNCAFE-UHFFFAOYSA-N 1 0 382.470 4.265 20 0 GIADRO [NH3+]CC[C@@H]1CCCCN1C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1 ZINC000572594300 823366979 /nfs/dbraw/zinc/36/69/79/823366979.db2.gz BYXVSLUIBFSQDH-LBPRGKRZSA-N 1 0 384.332 4.460 20 0 GIADRO Brc1cccc(N2CC[C@@H]([NH2+]Cc3ccnn3-c3ccccc3)C2)c1 ZINC000572570101 823363055 /nfs/dbraw/zinc/36/30/55/823363055.db2.gz CCVWNJVJDTXVKR-QGZVFWFLSA-N 1 0 397.320 4.003 20 0 GIADRO CC(C)[C@H](C(=O)N1CCC(OCCC[NH+](C)C)CC1)c1cccc(Cl)c1 ZINC000177065233 823363026 /nfs/dbraw/zinc/36/30/26/823363026.db2.gz BBQUQIRDBRRGFF-FQEVSTJZSA-N 1 0 380.960 4.039 20 0 GIADRO C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000189136743 823363311 /nfs/dbraw/zinc/36/33/11/823363311.db2.gz VPMMZRJHHVGHSK-NTKDMRAZSA-N 1 0 392.543 4.495 20 0 GIADRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2nc3ccccc3s2)C1 ZINC000177067708 823363614 /nfs/dbraw/zinc/36/36/14/823363614.db2.gz KEHZUDVYDLNTCB-GJZGRUSLSA-N 1 0 375.538 4.422 20 0 GIADRO Cc1ccc(Cl)cc1NC(=O)CN[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000460361342 823363906 /nfs/dbraw/zinc/36/39/06/823363906.db2.gz HBPALQNLVKEFQN-CYGODWOOSA-N 1 0 399.966 4.333 20 0 GIADRO CSC1(CNC(=O)N[C@H](c2ccc(F)cc2F)C(C)(C)C)CC[NH+](C)CC1 ZINC000460361888 823363957 /nfs/dbraw/zinc/36/39/57/823363957.db2.gz LIUXXDCLPSXFRP-QGZVFWFLSA-N 1 0 399.551 4.179 20 0 GIADRO C[C@H](CNC(=O)Nc1ccc(N(C)C)cc1C(F)(F)F)[N@@H+]1CCC[C@@H](C)C1 ZINC000058132511 823363988 /nfs/dbraw/zinc/36/39/88/823363988.db2.gz DMLBYBNSHKKJGN-ZIAGYGMSSA-N 1 0 386.462 4.013 20 0 GIADRO O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)N[C@H]1CCCC(F)(F)C1 ZINC000460362806 823364182 /nfs/dbraw/zinc/36/41/82/823364182.db2.gz ZSZKPUCJVLLKTD-MOPGFXCFSA-N 1 0 379.495 4.166 20 0 GIADRO COc1ccc([C@H](NC(=O)NCc2ccccc2C[NH+]2CCCC2)C(C)C)cc1 ZINC000022419820 818803860 /nfs/dbraw/zinc/80/38/60/818803860.db2.gz FFOMTJWEOLWECI-HSZRJFAPSA-N 1 0 395.547 4.488 20 0 GIADRO Cc1ccc(COc2ccc(C[NH+]3CCC(C(=O)N4CCCC4)CC3)cc2)cc1 ZINC000122509160 823364840 /nfs/dbraw/zinc/36/48/40/823364840.db2.gz UTRFWXRRXLMCQX-UHFFFAOYSA-N 1 0 392.543 4.408 20 0 GIADRO C[C@H](Sc1nc2ccccc2s1)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000022457732 818809758 /nfs/dbraw/zinc/80/97/58/818809758.db2.gz CRMFRHTUIOZASC-YOEHRIQHSA-N 1 0 385.558 4.196 20 0 GIADRO C[C@H]1C[C@@H](NC(=O)Nc2cc(F)c(F)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000177084885 823367299 /nfs/dbraw/zinc/36/72/99/823367299.db2.gz ZDCKTOKVLGNZPN-ZFWWWQNUSA-N 1 0 377.410 4.279 20 0 GIADRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1occc1COc1ccccc1 ZINC000022464291 818810505 /nfs/dbraw/zinc/81/05/05/818810505.db2.gz RRSOVHPWCANWFC-JOCHJYFZSA-N 1 0 390.483 4.426 20 0 GIADRO Brc1ccc(-c2cnc(C[NH+]3CCC([C@H]4CCCO4)CC3)o2)cc1 ZINC000189148876 823365440 /nfs/dbraw/zinc/36/54/40/823365440.db2.gz WEGRUWSSCPTAMK-QGZVFWFLSA-N 1 0 391.309 4.495 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(NC(=O)C2CCC2)c1)c1ccc2c(c1)OCCCO2 ZINC000122515871 823365858 /nfs/dbraw/zinc/36/58/58/823365858.db2.gz UDSFVQXRGSWIAJ-INIZCTEOSA-N 1 0 380.488 4.437 20 0 GIADRO CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@H](C)c1noc(-c2ccccc2)n1 ZINC000460368914 823366334 /nfs/dbraw/zinc/36/63/34/823366334.db2.gz HQMXPKRLBGGQBA-GOSISDBHSA-N 1 0 399.539 4.095 20 0 GIADRO CCCC[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1cc2c(cc1Cl)OCCCO2 ZINC000460352901 823361838 /nfs/dbraw/zinc/36/18/38/823361838.db2.gz OEGHVGPLTNIWCA-GDBMZVCRSA-N 1 0 380.916 4.388 20 0 GIADRO FC(F)(F)COc1ccc(CC[NH2+]Cc2cscc2C(F)(F)F)cn1 ZINC000572565907 823361895 /nfs/dbraw/zinc/36/18/95/823361895.db2.gz PLCGHQMCWUJLIY-UHFFFAOYSA-N 1 0 384.345 4.435 20 0 GIADRO CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1 ZINC000460353713 823361942 /nfs/dbraw/zinc/36/19/42/823361942.db2.gz QGMJRTPOCYVQHM-LQWHRVPQSA-N 1 0 382.504 4.161 20 0 GIADRO C[NH+](C)CCCOC1CCN(C(=O)c2[nH]c3ccc(Cl)cc3c2Cl)CC1 ZINC000177088508 823368142 /nfs/dbraw/zinc/36/81/42/823368142.db2.gz GGTUGMYKCVCWDC-UHFFFAOYSA-N 1 0 398.334 4.048 20 0 GIADRO CCCC[N@H+](C)C[C@H](C)NC(=O)NCc1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000460374507 823368515 /nfs/dbraw/zinc/36/85/15/823368515.db2.gz WAMKTZBCEASOES-AWEZNQCLSA-N 1 0 392.931 4.223 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1cc(F)ccc1Br)c1ccccc1 ZINC000022752691 818855871 /nfs/dbraw/zinc/85/58/71/818855871.db2.gz VXZWSYNPZFGPQF-GOSISDBHSA-N 1 0 393.300 4.401 20 0 GIADRO CCOc1cc(C[NH2+]Cc2ccccc2)ccc1OCC(=O)Nc1ccccc1 ZINC000022770386 818858180 /nfs/dbraw/zinc/85/81/80/818858180.db2.gz BIQNAIQCRXHEJJ-UHFFFAOYSA-N 1 0 390.483 4.393 20 0 GIADRO COc1cc(C[NH2+]Cc2cccnc2)ccc1OCCOc1ccccc1Cl ZINC000022770599 818858948 /nfs/dbraw/zinc/85/89/48/818858948.db2.gz QXYQZOIVEKTGGG-UHFFFAOYSA-N 1 0 398.890 4.491 20 0 GIADRO CC[N@H+](CC(=O)Nc1cc(Cl)ccc1F)[C@@H](C)Cc1ccc(OC)cc1 ZINC000572611146 823369253 /nfs/dbraw/zinc/36/92/53/823369253.db2.gz PLHRIKZRROWIMC-AWEZNQCLSA-N 1 0 378.875 4.379 20 0 GIADRO C[C@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C(F)(F)F)cc1 ZINC000410005977 823369467 /nfs/dbraw/zinc/36/94/67/823369467.db2.gz AMOWVEULHGOPKB-FUHWJXTLSA-N 1 0 390.449 4.447 20 0 GIADRO C[C@H]1C[C@@H](NC(=O)Nc2ccc(-c3cc[nH]n3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000177092313 823369615 /nfs/dbraw/zinc/36/96/15/823369615.db2.gz LQGGRRQSKDCZFE-UWJYYQICSA-N 1 0 389.503 4.251 20 0 GIADRO COc1cccc(CCC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)c1 ZINC000022965436 818881153 /nfs/dbraw/zinc/88/11/53/818881153.db2.gz CBOHVEOCMDXPGQ-NRFANRHFSA-N 1 0 386.923 4.235 20 0 GIADRO CC[C@@H]1Oc2cc([C@H](C)[NH2+][C@H]3CCc4c3ccc(OC)c4F)ccc2NC1=O ZINC000572625800 823371054 /nfs/dbraw/zinc/37/10/54/823371054.db2.gz WTRGNUZPVHVWEO-IWEFOYFVSA-N 1 0 384.451 4.282 20 0 GIADRO CC(C)CCOc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000023134145 818902378 /nfs/dbraw/zinc/90/23/78/818902378.db2.gz WREWZGJOIMQEKJ-UHFFFAOYSA-N 1 0 381.520 4.116 20 0 GIADRO Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@H](Cc1ccccc1)C(F)(F)F ZINC000572632703 823371862 /nfs/dbraw/zinc/37/18/62/823371862.db2.gz OLGTZRYFKVHPTN-INIZCTEOSA-N 1 0 382.401 4.474 20 0 GIADRO COc1cc(Br)ccc1C[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000189187335 823372503 /nfs/dbraw/zinc/37/25/03/823372503.db2.gz XFZHRIVIIYPCIP-UHFFFAOYSA-N 1 0 388.309 4.097 20 0 GIADRO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH+]2CCC(n3ccnc3)CC2)o1 ZINC000122560039 823372603 /nfs/dbraw/zinc/37/26/03/823372603.db2.gz RYEJODBMYZSNHU-UHFFFAOYSA-N 1 0 387.487 4.474 20 0 GIADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N(C)[C@H]2CC[C@@H](C(F)(F)F)CC2)C1 ZINC000460388703 823372825 /nfs/dbraw/zinc/37/28/25/823372825.db2.gz QXERRLSHHSWQER-YESZJQIVSA-N 1 0 377.495 4.117 20 0 GIADRO CC[N@@H+]1CCC[C@H](CNC(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)C1 ZINC000058275495 823374050 /nfs/dbraw/zinc/37/40/50/823374050.db2.gz KBBOYILYHQNDMK-IDCRMVTHSA-N 1 0 396.579 4.365 20 0 GIADRO O=C(CN1CCC[N@H+](Cc2ccccc2)CC1)Nc1cccc(Cl)c1Cl ZINC000023354670 818927139 /nfs/dbraw/zinc/92/71/39/818927139.db2.gz NICPBIJQGHOGJJ-UHFFFAOYSA-N 1 0 392.330 4.140 20 0 GIADRO CCC(=O)Nc1ccc(C)c(NC(=O)c2ccc(OCC[NH+](CC)CC)cc2)c1 ZINC000058281558 823374362 /nfs/dbraw/zinc/37/43/62/823374362.db2.gz BDAZDTOECOVHHX-UHFFFAOYSA-N 1 0 397.519 4.316 20 0 GIADRO Brc1ccc(C[NH+]2CCC([C@H]3CCCO3)CC2)c2ncccc12 ZINC000189200062 823374475 /nfs/dbraw/zinc/37/44/75/823374475.db2.gz AGMPSZPSVOQEBA-GOSISDBHSA-N 1 0 375.310 4.388 20 0 GIADRO C[C@@H]1CN(C(=O)NCc2ccccc2C[NH+]2CCCC2)C[C@H](c2ccsc2)O1 ZINC000177114545 823374574 /nfs/dbraw/zinc/37/45/74/823374574.db2.gz YUFQZSUSZINBPQ-DYESRHJHSA-N 1 0 399.560 4.016 20 0 GIADRO CC(=O)c1ccc(OC[C@@H](O)C[NH2+]C(c2ccccc2)c2ccccc2)cc1 ZINC000023387256 818932217 /nfs/dbraw/zinc/93/22/17/818932217.db2.gz BPCDUCGFHKLPNU-QFIPXVFZSA-N 1 0 375.468 4.008 20 0 GIADRO Cc1ccc(CC[C@H](C)NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000460394213 823374733 /nfs/dbraw/zinc/37/47/33/823374733.db2.gz MRANESMLSJLGDB-NYVOZVTQSA-N 1 0 395.547 4.073 20 0 GIADRO Cc1cc(-c2ncccc2NC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cs1 ZINC000189201620 823374773 /nfs/dbraw/zinc/37/47/73/823374773.db2.gz PJBZXUGTNHMULF-KRWDZBQOSA-N 1 0 384.549 4.458 20 0 GIADRO Cc1ccc(CC(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1Br ZINC000189204744 823375389 /nfs/dbraw/zinc/37/53/89/823375389.db2.gz NDXBRZOWOAHYNT-UHFFFAOYSA-N 1 0 393.369 4.213 20 0 GIADRO COc1ccc([C@H](CNC(=O)CCCOc2cccc(C)c2)[NH+]2CCCC2)cc1 ZINC000023486878 818945974 /nfs/dbraw/zinc/94/59/74/818945974.db2.gz HRIODWKQMKUDJF-QHCPKHFHSA-N 1 0 396.531 4.116 20 0 GIADRO COc1ccc(F)cc1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000189207347 823375979 /nfs/dbraw/zinc/37/59/79/823375979.db2.gz DBQLNZNKMYQAFK-UHFFFAOYSA-N 1 0 388.446 4.372 20 0 GIADRO Cc1cccc(NC2CC[NH+]([C@@H](C)C(=O)NCc3ccc(Cl)cc3)CC2)c1 ZINC000572655422 823376632 /nfs/dbraw/zinc/37/66/32/823376632.db2.gz AWSIKCWKYCNGDK-KRWDZBQOSA-N 1 0 385.939 4.230 20 0 GIADRO CCCC[N@H+](C)CC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccc(OC)cc1 ZINC000023696941 818975179 /nfs/dbraw/zinc/97/51/79/818975179.db2.gz RVNIUUVVVCRNPE-OAQYLSRUSA-N 1 0 393.531 4.157 20 0 GIADRO COc1cc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)ccc1OCC(C)C ZINC000023738272 818977263 /nfs/dbraw/zinc/97/72/63/818977263.db2.gz YYWFBDVQFWGXLM-NRFANRHFSA-N 1 0 396.531 4.297 20 0 GIADRO Cc1nc(-c2ccccn2)sc1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000023740750 818977831 /nfs/dbraw/zinc/97/78/31/818977831.db2.gz BHAAYWSXNHBVBF-IBGZPJMESA-N 1 0 392.528 4.080 20 0 GIADRO CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(OC)cc1 ZINC000177124347 823377186 /nfs/dbraw/zinc/37/71/86/823377186.db2.gz ZOALADVJOXQRDQ-OAQYLSRUSA-N 1 0 392.503 4.231 20 0 GIADRO Cc1ccccc1[C@H](NC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C)C(C)(C)C ZINC000177124672 823377311 /nfs/dbraw/zinc/37/73/11/823377311.db2.gz UQPLGMQKFRORKO-FQEVSTJZSA-N 1 0 396.535 4.064 20 0 GIADRO C[C@@H]1CN(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C[C@H](c2ccccc2)O1 ZINC000410040451 823377394 /nfs/dbraw/zinc/37/73/94/823377394.db2.gz YRRMJWVGADOSDP-MISYRCLQSA-N 1 0 399.560 4.057 20 0 GIADRO C[N@@H+](Cc1ccc2c(c1)OCCO2)Cn1c2ccccc2nc1SC(F)F ZINC000023845819 818985890 /nfs/dbraw/zinc/98/58/90/818985890.db2.gz DXBJCGZZLYTJMR-UHFFFAOYSA-N 1 0 391.443 4.212 20 0 GIADRO CCn1c2ccccc2nc(NC2CC[NH+]([C@H](C)c3ccccc3)CC2)c1=O ZINC000572662358 823378092 /nfs/dbraw/zinc/37/80/92/823378092.db2.gz JENWMHMUMCWTOL-QGZVFWFLSA-N 1 0 376.504 4.054 20 0 GIADRO COc1ccc([C@H](C)[NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)cc1F ZINC000189267157 823383759 /nfs/dbraw/zinc/38/37/59/823383759.db2.gz LFPXVGFWSDXDIH-OOHWJJMZSA-N 1 0 396.462 4.092 20 0 GIADRO CCCOc1ccc(C[NH2+][C@@H](C)CC(=O)Nc2cccnc2Cl)c(C)c1 ZINC000189269265 823383893 /nfs/dbraw/zinc/38/38/93/823383893.db2.gz ZTGPTVQABJUYRD-HNNXBMFYSA-N 1 0 375.900 4.339 20 0 GIADRO Cc1nc(COc2ccc(C[NH2+]C[C@@H](c3ccccc3)N(C)C)cc2)cs1 ZINC000024081618 819020532 /nfs/dbraw/zinc/02/05/32/819020532.db2.gz ICQIXTRHEAXWDQ-QFIPXVFZSA-N 1 0 381.545 4.423 20 0 GIADRO Cc1nc(COc2ccc(C[NH2+]C[C@H](c3ccccc3)N(C)C)cc2)cs1 ZINC000024081621 819020558 /nfs/dbraw/zinc/02/05/58/819020558.db2.gz ICQIXTRHEAXWDQ-JOCHJYFZSA-N 1 0 381.545 4.423 20 0 GIADRO Cc1nc2ccccc2c(C)c1CC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000024189449 819031069 /nfs/dbraw/zinc/03/10/69/819031069.db2.gz IVLXMMDORWBADB-UHFFFAOYSA-N 1 0 387.527 4.306 20 0 GIADRO CC1CC[NH+](Cc2ccc(NC(=O)c3ccc(C(F)(F)F)[nH]c3=O)cc2)CC1 ZINC000058353326 823381901 /nfs/dbraw/zinc/38/19/01/823381901.db2.gz QGXKNJKMWHSFNQ-UHFFFAOYSA-N 1 0 393.409 4.290 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)NC[C@@H]3CCCC(F)(F)C3)c(C)c2)CC1 ZINC000410059765 823382374 /nfs/dbraw/zinc/38/23/74/823382374.db2.gz SEQFDLBZPJPCGN-QGZVFWFLSA-N 1 0 394.510 4.084 20 0 GIADRO Cc1oc(-c2cccs2)nc1CC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000024493240 819064003 /nfs/dbraw/zinc/06/40/03/819064003.db2.gz OYDMSPLKDMGEMB-KRWDZBQOSA-N 1 0 399.516 4.190 20 0 GIADRO CCCOc1ccc(C[NH2+][C@@H](C)c2ccc(NS(C)(=O)=O)cc2)c(C)c1 ZINC000189271080 823384314 /nfs/dbraw/zinc/38/43/14/823384314.db2.gz FESZULXFBJLXCM-INIZCTEOSA-N 1 0 376.522 4.006 20 0 GIADRO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000122632969 823384857 /nfs/dbraw/zinc/38/48/57/823384857.db2.gz BYSGAWAOIWHPFT-MSOLQXFVSA-N 1 0 380.513 4.262 20 0 GIADRO COc1ccccc1[C@H]1[C@@H]([NH3+])CCCN1C(=O)CCC(C)(C)c1ccccc1 ZINC000572697690 823385177 /nfs/dbraw/zinc/38/51/77/823385177.db2.gz MWDLTGFVQRKWMN-REWPJTCUSA-N 1 0 380.532 4.444 20 0 GIADRO Cc1nn(-c2ccccn2)c(C)c1C[NH2+]Cc1ccc(OC2CCCC2)cc1 ZINC000572702680 823385997 /nfs/dbraw/zinc/38/59/97/823385997.db2.gz STAAJIJXJDVRMW-UHFFFAOYSA-N 1 0 376.504 4.495 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)C2(c3cccc(F)c3)CCC2)CC1 ZINC000058400073 823386212 /nfs/dbraw/zinc/38/62/12/823386212.db2.gz FDHPPCHSEZMLBG-UHFFFAOYSA-N 1 0 380.507 4.337 20 0 GIADRO C[C@@H](CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)[NH+](C)C ZINC000460430234 823386691 /nfs/dbraw/zinc/38/66/91/823386691.db2.gz VZIYSGKKTFUANO-ZDUSSCGKSA-N 1 0 376.913 4.282 20 0 GIADRO O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)Nc1ccsc1Cl ZINC000189284992 823386774 /nfs/dbraw/zinc/38/67/74/823386774.db2.gz HTJPZOMMZYLTOS-UHFFFAOYSA-N 1 0 392.956 4.125 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000189285422 823387173 /nfs/dbraw/zinc/38/71/73/823387173.db2.gz NTRUFNNADIJIFQ-MSOLQXFVSA-N 1 0 380.454 4.113 20 0 GIADRO Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000572713788 823387468 /nfs/dbraw/zinc/38/74/68/823387468.db2.gz DMMJWDBHCLDHGX-QGZVFWFLSA-N 1 0 381.954 4.049 20 0 GIADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)Cc2cccc(OCc3ccc(Cl)cc3)c2)C1 ZINC000572713965 823387794 /nfs/dbraw/zinc/38/77/94/823387794.db2.gz PDMYZXGEINCIIH-AZUAARDMSA-N 1 0 386.923 4.095 20 0 GIADRO Cc1nc(CSc2ccccc2C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cs1 ZINC000177164192 823388296 /nfs/dbraw/zinc/38/82/96/823388296.db2.gz SCIDMIASCOHASZ-ZFWWWQNUSA-N 1 0 387.574 4.099 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc2nc(C3CC3)oc2c1)c1ccc(F)cc1 ZINC000177184365 823394031 /nfs/dbraw/zinc/39/40/31/823394031.db2.gz RHSSDFLEPIPCSQ-SFHVURJKSA-N 1 0 382.439 4.269 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)C(C)(C)Sc2ccc(Br)cc2)CC[N@@H+]1C ZINC000122674087 823391906 /nfs/dbraw/zinc/39/19/06/823391906.db2.gz BAEWZARZXMDHBS-HIFRSBDPSA-N 1 0 399.398 4.261 20 0 GIADRO C[C@H]1C[C@H](NC(=O)NCC2CCC(F)(F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000410102382 823392290 /nfs/dbraw/zinc/39/22/90/823392290.db2.gz BVLMOEKNVJTRBG-QFBILLFUSA-N 1 0 379.495 4.164 20 0 GIADRO Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000177178967 823392459 /nfs/dbraw/zinc/39/24/59/823392459.db2.gz QZQNKDIQYWGZHC-JQWIXIFHSA-N 1 0 394.302 4.312 20 0 GIADRO Cc1c([C@H](C)[NH2+]CCc2ccc(Cl)nc2)nnn1-c1cccc(Cl)c1 ZINC000122678073 823392942 /nfs/dbraw/zinc/39/29/42/823392942.db2.gz HSIZYTHZZHHXIK-LBPRGKRZSA-N 1 0 376.291 4.171 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCCC1)NCC1CCC(F)(F)CC1 ZINC000410105068 823393097 /nfs/dbraw/zinc/39/30/97/823393097.db2.gz MGKJXPLYLVUHID-UHFFFAOYSA-N 1 0 379.495 4.297 20 0 GIADRO C[C@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)[N@H+](C)CC1(c2ccccc2)CC1 ZINC000189320184 823393298 /nfs/dbraw/zinc/39/32/98/823393298.db2.gz NWTAXCPGJUWDIH-LLVKDONJSA-N 1 0 398.375 4.373 20 0 GIADRO COC(=O)[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)c1ccc(F)cc1 ZINC000572758362 823393426 /nfs/dbraw/zinc/39/34/26/823393426.db2.gz OZUYUZLGINUOMQ-VGSWGCGISA-N 1 0 384.495 4.062 20 0 GIADRO O[C@@H](C[NH2+]C1(c2nccs2)CCCC1)COc1cc(Cl)ccc1Cl ZINC000177168722 823389652 /nfs/dbraw/zinc/38/96/52/823389652.db2.gz XBYMPBAHHXVIKB-ZDUSSCGKSA-N 1 0 387.332 4.249 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)CC[N@H+](CCC(F)(F)F)CC1CC1 ZINC000177169182 823389771 /nfs/dbraw/zinc/38/97/71/823389771.db2.gz YNSVGSGDJHATTI-UHFFFAOYSA-N 1 0 378.822 4.342 20 0 GIADRO c1cn(-c2ccc(C[N@@H+]3CCC[C@H](c4nc(-c5ccccc5)c[nH]4)C3)cn2)cn1 ZINC000177171832 823390507 /nfs/dbraw/zinc/39/05/07/823390507.db2.gz KKSPWHIQQCOABK-FQEVSTJZSA-N 1 0 384.487 4.037 20 0 GIADRO Cc1ccc(NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)c(OCC(F)(F)F)c1 ZINC000058432473 823390728 /nfs/dbraw/zinc/39/07/28/823390728.db2.gz HHIIUAUQHAABEG-UHFFFAOYSA-N 1 0 387.446 4.274 20 0 GIADRO Cc1cccc([C@@H](C)C(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)c1 ZINC000122671671 823391352 /nfs/dbraw/zinc/39/13/52/823391352.db2.gz NDGXGTVQJWKJAU-WOJBJXKFSA-N 1 0 380.532 4.115 20 0 GIADRO Cc1cccn2c(C[NH2+][C@H](C)[C@H](OC3CCOCC3)c3ccccc3)cnc12 ZINC000122671442 823391359 /nfs/dbraw/zinc/39/13/59/823391359.db2.gz BLPVMSKYHGYFEA-GCJKJVERSA-N 1 0 379.504 4.058 20 0 GIADRO CC(C)Cc1nnc(N2CCC[C@@H]([NH+]3CCCC3)CC2)n1CCc1ccccc1 ZINC000460444613 823391488 /nfs/dbraw/zinc/39/14/88/823391488.db2.gz DZYUOAHLNLEODK-JOCHJYFZSA-N 1 0 395.595 4.174 20 0 GIADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1ccsc1Cl ZINC000189307177 823391604 /nfs/dbraw/zinc/39/16/04/823391604.db2.gz WKIGCHJAHBDIOP-HNNXBMFYSA-N 1 0 378.929 4.315 20 0 GIADRO Cc1cc(Br)c(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1Cl ZINC000122709658 823398577 /nfs/dbraw/zinc/39/85/77/823398577.db2.gz UJTXLJRDKVQVHU-NEPJUHHUSA-N 1 0 388.737 4.357 20 0 GIADRO c1ccc(CCn2c(C3CCC3)nnc2N2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000460455662 823395450 /nfs/dbraw/zinc/39/54/50/823395450.db2.gz PBUFYEXAJXLPTL-QFIPXVFZSA-N 1 0 393.579 4.243 20 0 GIADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)CCc2ccccc2OC(F)(F)F)C1 ZINC000410116758 823395848 /nfs/dbraw/zinc/39/58/48/823395848.db2.gz COTRSRFHBFQVKZ-SOLBZPMBSA-N 1 0 398.469 4.382 20 0 GIADRO CC(C)(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000572774602 823396676 /nfs/dbraw/zinc/39/66/76/823396676.db2.gz SBIBYFWXSWAUFU-LJQANCHMSA-N 1 0 383.927 4.467 20 0 GIADRO CCSc1cc(Cl)ccc1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000122702806 823397386 /nfs/dbraw/zinc/39/73/86/823397386.db2.gz NVGOGZBHZRYLDV-UHFFFAOYSA-N 1 0 389.952 4.241 20 0 GIADRO CC[C@H]([NH2+][C@H]1CCC[C@H](N2CCCC2=O)C1)c1ccc(Br)cc1 ZINC000572781566 823397786 /nfs/dbraw/zinc/39/77/86/823397786.db2.gz URFCHXWWJHECFY-BZSNNMDCSA-N 1 0 379.342 4.423 20 0 GIADRO Clc1ccc2c(c1Cl)OCCC[C@H]2[NH2+]C1CCN(c2cccnn2)CC1 ZINC000572792305 823399460 /nfs/dbraw/zinc/39/94/60/823399460.db2.gz PRQXJZIYCDEHNL-MRXNPFEDSA-N 1 0 393.318 4.256 20 0 GIADRO Cc1nc2c(s1)[C@H]([NH2+]C[C@@H](c1ccccc1Cl)N1CCOCC1)CCC2 ZINC000122724991 823400842 /nfs/dbraw/zinc/40/08/42/823400842.db2.gz JARPGACNYWECOU-MJGOQNOKSA-N 1 0 391.968 4.145 20 0 GIADRO CCCOc1ccc(CNC(=O)C[N@H+](C)[C@H]2CC[C@@H](C(F)(F)F)CC2)cc1 ZINC000572798243 823400967 /nfs/dbraw/zinc/40/09/67/823400967.db2.gz YXEAJGDGSQUKBE-CALCHBBNSA-N 1 0 386.458 4.145 20 0 GIADRO Cc1ccc(Cl)c(O[C@@H](C)C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000410143460 823400992 /nfs/dbraw/zinc/40/09/92/823400992.db2.gz QPMNDADKDKKSQI-DOTOQJQBSA-N 1 0 392.952 4.431 20 0 GIADRO CC1CC[NH+](CCCCNC(=O)NCc2ccc(F)cc2C(F)(F)F)CC1 ZINC000410146378 823401306 /nfs/dbraw/zinc/40/13/06/823401306.db2.gz XHMSNVCLUZHBHM-UHFFFAOYSA-N 1 0 389.437 4.156 20 0 GIADRO Cc1ccc([C@H](C)NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1F ZINC000460476555 823402078 /nfs/dbraw/zinc/40/20/78/823402078.db2.gz CATFUOAPOOSJHW-BWAGFHJFSA-N 1 0 395.522 4.359 20 0 GIADRO CCN(CC)C(=O)C1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000058524763 823403938 /nfs/dbraw/zinc/40/39/38/823403938.db2.gz VDMJKPMUBCPFHM-UHFFFAOYSA-N 1 0 394.559 4.373 20 0 GIADRO CC1CC[NH+](Cc2ccccc2CNC(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000058519457 823403222 /nfs/dbraw/zinc/40/32/22/823403222.db2.gz VSNIGZRTQFURCL-UHFFFAOYSA-N 1 0 395.503 4.011 20 0 GIADRO CC[NH+](CC)CCOc1ccc(C(=O)Nc2ccc(OC(F)F)c(F)c2)cc1 ZINC000058529164 823404573 /nfs/dbraw/zinc/40/45/73/823404573.db2.gz AQQLVLNPEAIMHW-UHFFFAOYSA-N 1 0 396.409 4.400 20 0 GIADRO Cc1ccc(SCCC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000058530880 823404631 /nfs/dbraw/zinc/40/46/31/823404631.db2.gz MYAXCZMPAVMKJD-UHFFFAOYSA-N 1 0 386.536 4.397 20 0 GIADRO CCOc1ccc(NC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)cc1OCC ZINC000058532292 823404850 /nfs/dbraw/zinc/40/48/50/823404850.db2.gz GLHSPELZYWBQIO-QGZVFWFLSA-N 1 0 377.529 4.118 20 0 GIADRO Cc1c2ccccc2oc1[C@H](C)[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177229392 823405230 /nfs/dbraw/zinc/40/52/30/823405230.db2.gz MWMOLBKTOZJUMU-HOTGVXAUSA-N 1 0 386.517 4.403 20 0 GIADRO CCCc1nnc(NC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)s1 ZINC000058534106 823405568 /nfs/dbraw/zinc/40/55/68/823405568.db2.gz RCZDEROLXPMHCB-OAHLLOKOSA-N 1 0 387.553 4.187 20 0 GIADRO Cc1cc(C)n(-c2ccc(C(=O)NC3CC[NH+](C4CCCCC4)CC3)cc2F)n1 ZINC000177232062 823405857 /nfs/dbraw/zinc/40/58/57/823405857.db2.gz HPZWGDDSFPUMLN-UHFFFAOYSA-N 1 0 398.526 4.155 20 0 GIADRO O=C(CCc1ccccc1Br)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177234964 823406107 /nfs/dbraw/zinc/40/61/07/823406107.db2.gz LVBWEWNZIHQJNY-UHFFFAOYSA-N 1 0 393.369 4.295 20 0 GIADRO COc1ccc(OC)c([C@@H](C)[NH2+]Cc2c(C)nn(Cc3ccccc3)c2C)c1 ZINC000122768648 823408981 /nfs/dbraw/zinc/40/89/81/823408981.db2.gz RSYVYXMQVOXEBK-MRXNPFEDSA-N 1 0 379.504 4.416 20 0 GIADRO CSc1nccn1-c1ccc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000177237450 823407001 /nfs/dbraw/zinc/40/70/01/823407001.db2.gz PRSZJVNYPCRPQO-UHFFFAOYSA-N 1 0 398.576 4.121 20 0 GIADRO Cc1cc(C)n(-c2ccccc2NC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)n1 ZINC000058546342 823407311 /nfs/dbraw/zinc/40/73/11/823407311.db2.gz BKNOOBKCQMMWHK-SFHVURJKSA-N 1 0 383.540 4.265 20 0 GIADRO O=C([C@H]1C[NH2+]Cc2ccccc21)N1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000572840262 823408105 /nfs/dbraw/zinc/40/81/05/823408105.db2.gz ZPWWARBJBXPNOX-RBBKRZOGSA-N 1 0 386.499 4.017 20 0 GIADRO C[NH+](C)CC1(C(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)CCCCC1 ZINC000460504735 823411040 /nfs/dbraw/zinc/41/10/40/823411040.db2.gz RZKHVCAGTGHPBR-UHFFFAOYSA-N 1 0 398.507 4.052 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@@H](C)c2cccc(-n3ccnn3)c2)ccc1OC(C)C ZINC000572868175 823411954 /nfs/dbraw/zinc/41/19/54/823411954.db2.gz UYJPJGQDJKMGEX-DLBZAZTESA-N 1 0 380.492 4.475 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)Nc1cccc(OCCF)c1 ZINC000122787376 823412189 /nfs/dbraw/zinc/41/21/89/823412189.db2.gz TXFKMFHQQWYSHS-SFHVURJKSA-N 1 0 385.483 4.163 20 0 GIADRO C[N@H+](CCCNC(=O)CSc1nc2ccccc2s1)Cc1ccccc1 ZINC000058581843 823412588 /nfs/dbraw/zinc/41/25/88/823412588.db2.gz WWMPMBSJQCBDOH-UHFFFAOYSA-N 1 0 385.558 4.027 20 0 GIADRO O=C(CCc1ccc(OC(F)F)cc1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177264696 823413960 /nfs/dbraw/zinc/41/39/60/823413960.db2.gz ARKIAZZFGUZSEZ-UHFFFAOYSA-N 1 0 380.479 4.134 20 0 GIADRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)c2c(F)ccc(F)c2F)CC1 ZINC000122790944 823412851 /nfs/dbraw/zinc/41/28/51/823412851.db2.gz LQEUEQCNPFRQNP-UHFFFAOYSA-N 1 0 376.422 4.088 20 0 GIADRO Cc1noc([C@H]2CCC[N@H+](Cc3cc(Br)cc4cccnc43)C2)n1 ZINC000177262704 823413319 /nfs/dbraw/zinc/41/33/19/823413319.db2.gz FAGDXALWFJXZRZ-AWEZNQCLSA-N 1 0 387.281 4.068 20 0 GIADRO CSc1ccc(O[C@@H](C)C(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000177254816 823410534 /nfs/dbraw/zinc/41/05/34/823410534.db2.gz CMSAAFZPTIAGSE-INIZCTEOSA-N 1 0 376.566 4.089 20 0 GIADRO C[NH+]1CCC(N(Cc2ccco2)Cc2ccc(Br)cc2F)CC1 ZINC000572886726 823414106 /nfs/dbraw/zinc/41/41/06/823414106.db2.gz BENWUDLVWIWHGM-UHFFFAOYSA-N 1 0 381.289 4.278 20 0 GIADRO C[C@@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000572888997 823414368 /nfs/dbraw/zinc/41/43/68/823414368.db2.gz TXNNLMOBGSFMPU-RISCZKNCSA-N 1 0 395.263 4.120 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CCOCC1)c1cccc(Br)c1 ZINC000410204285 823418986 /nfs/dbraw/zinc/41/89/86/823418986.db2.gz AOFARSWSOOPTRN-PBHICJAKSA-N 1 0 395.366 4.235 20 0 GIADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000177266966 823414693 /nfs/dbraw/zinc/41/46/93/823414693.db2.gz KJVBVPONBLFSAB-IRXDYDNUSA-N 1 0 378.919 4.496 20 0 GIADRO CC(C)Oc1cccc(CN(C)C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000122801811 823414760 /nfs/dbraw/zinc/41/47/60/823414760.db2.gz FVNFEQYXRFCPEE-LJQANCHMSA-N 1 0 375.557 4.127 20 0 GIADRO COc1cccc([C@@H](C)[NH2+][C@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)c1 ZINC000177279010 823419467 /nfs/dbraw/zinc/41/94/67/823419467.db2.gz HDFNWYXMVJFPHB-QZTJIDSGSA-N 1 0 381.520 4.363 20 0 GIADRO CC(C)(C)OCc1cccc(C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000177279187 823419450 /nfs/dbraw/zinc/41/94/50/823419450.db2.gz JXQRTDRFBYBXDB-UHFFFAOYSA-N 1 0 376.541 4.491 20 0 GIADRO COc1cccc(C2([NH2+]Cc3cnc(CC(C)C)s3)CCOCC2)c1F ZINC000572927890 823421514 /nfs/dbraw/zinc/42/15/14/823421514.db2.gz QKKANAPOOZKCKM-UHFFFAOYSA-N 1 0 378.513 4.285 20 0 GIADRO C/C(=C\C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1ccccc1OC(F)F ZINC000177287716 823422023 /nfs/dbraw/zinc/42/20/23/823422023.db2.gz MJCZSAKIGPCZHG-IWLLYFRBSA-N 1 0 378.463 4.168 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1cc2ccc(C)cc2[nH]1)c1cccc(OC)c1 ZINC000058648090 823424212 /nfs/dbraw/zinc/42/42/12/823424212.db2.gz BPABCUUSLDTALI-JOCHJYFZSA-N 1 0 379.504 4.298 20 0 GIADRO Fc1cc(-c2ccncc2)ccc1C[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC000189472468 823424331 /nfs/dbraw/zinc/42/43/31/823424331.db2.gz XQMXZPAKCCRHRQ-UHFFFAOYSA-N 1 0 381.417 4.252 20 0 GIADRO COc1cccc(C2(F)CCN(C(=O)c3cccc(C[NH+]4CCCC4)c3)CC2)c1 ZINC000410226026 823425470 /nfs/dbraw/zinc/42/54/70/823425470.db2.gz CSIWBPWZCDHELL-UHFFFAOYSA-N 1 0 396.506 4.392 20 0 GIADRO Cc1ccccc1C1(C[NH2+][C@@H]2CCN(C)[C@@H](c3ccccc3)C2)CCOCC1 ZINC000572979054 823429285 /nfs/dbraw/zinc/42/92/85/823429285.db2.gz QXBYVGBVDVOJLZ-ISKFKSNPSA-N 1 0 378.560 4.468 20 0 GIADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2ccc(SC(F)F)cc2)CC1 ZINC000122890116 823429438 /nfs/dbraw/zinc/42/94/38/823429438.db2.gz XKXXZJVVIGWDKW-UHFFFAOYSA-N 1 0 380.460 4.331 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1Cl ZINC000189481456 823427135 /nfs/dbraw/zinc/42/71/35/823427135.db2.gz BQXBCVKAMUFAMX-IAOVAPTHSA-N 1 0 395.931 4.093 20 0 GIADRO CC(C)(C)OC(=O)N1CC=C(C[NH2+]Cc2ccc(Br)s2)CC1 ZINC000189482372 823427171 /nfs/dbraw/zinc/42/71/71/823427171.db2.gz PPKOCBZACCOMFN-UHFFFAOYSA-N 1 0 387.343 4.167 20 0 GIADRO C[C@H]([NH2+]CC(C)(C)c1ccc2c(c1)OCCO2)c1cccc(N2CCOC2=O)c1 ZINC000122880188 823428091 /nfs/dbraw/zinc/42/80/91/823428091.db2.gz BBQGRBFURPQKON-INIZCTEOSA-N 1 0 396.487 4.043 20 0 GIADRO O=C(NCc1nc(-c2cc3ccccc3o2)cs1)C1CC[NH+](C2CC2)CC1 ZINC000572970953 823428186 /nfs/dbraw/zinc/42/81/86/823428186.db2.gz AUHJOYHKCHAHTA-UHFFFAOYSA-N 1 0 381.501 4.047 20 0 GIADRO COC(=O)c1ccc([C@H](C)[NH2+][C@@H]2CCN(C(C)C)[C@@H]2c2ccc(F)c(F)c2)o1 ZINC000572970738 823428302 /nfs/dbraw/zinc/42/83/02/823428302.db2.gz UGSIXBOMGGQPTA-WSXQUGQNSA-N 1 0 392.446 4.219 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC000177307368 823428386 /nfs/dbraw/zinc/42/83/86/823428386.db2.gz LCFJBOOHRPMLOO-LJQANCHMSA-N 1 0 391.515 4.191 20 0 GIADRO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H]1COCc2ccccc21 ZINC000572975560 823429040 /nfs/dbraw/zinc/42/90/40/823429040.db2.gz QOTSRLCLWVXLCR-SCLBCKFNSA-N 1 0 378.394 4.284 20 0 GIADRO C[C@@H]1C[C@@H]1[C@@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)c1ccc(Cl)cc1 ZINC000460555475 823430666 /nfs/dbraw/zinc/43/06/66/823430666.db2.gz FJYMOWXZFAMPDE-PBEJRMEISA-N 1 0 390.955 4.188 20 0 GIADRO COc1ccccc1NC(=O)C1CC[NH+](Cc2ccc(C(C)C)nc2C)CC1 ZINC000572988614 823430659 /nfs/dbraw/zinc/43/06/59/823430659.db2.gz LMCHJMAXYYSEAX-UHFFFAOYSA-N 1 0 381.520 4.373 20 0 GIADRO CCS[C@H]1CCCC[C@H]1[NH2+]Cc1csc(CC(=O)Nc2ccccc2)n1 ZINC000189496016 823430826 /nfs/dbraw/zinc/43/08/26/823430826.db2.gz AIQVHZZDWKQKSB-MSOLQXFVSA-N 1 0 389.590 4.478 20 0 GIADRO CCSc1cccc(NC(=O)C(=O)Nc2ccc(C[NH+](CC)CC)cc2)c1 ZINC000189495529 823430844 /nfs/dbraw/zinc/43/08/44/823430844.db2.gz LCDFLZRWQXIBMK-UHFFFAOYSA-N 1 0 385.533 4.218 20 0 GIADRO COc1cc(C[NH2+]CCC(=O)Nc2cccc(Cl)c2)ccc1OC(F)F ZINC000572992628 823431136 /nfs/dbraw/zinc/43/11/36/823431136.db2.gz WAEQJBPSTUSBJK-UHFFFAOYSA-N 1 0 384.810 4.068 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)CCCc2ccccc2Br)cc1 ZINC000410240584 823431214 /nfs/dbraw/zinc/43/12/14/823431214.db2.gz KOZFIMLRWYQVOW-UHFFFAOYSA-N 1 0 389.337 4.150 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)c2nc(Br)ccc2C)CC1 ZINC000189503420 823432761 /nfs/dbraw/zinc/43/27/61/823432761.db2.gz XFCULGCJGLFMJL-UHFFFAOYSA-N 1 0 396.373 4.127 20 0 GIADRO O=C(NCCC(c1ccccc1)c1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000024662285 819861414 /nfs/dbraw/zinc/86/14/14/819861414.db2.gz FCLOFWUQNTWEAE-UHFFFAOYSA-N 1 0 377.532 4.135 20 0 GIADRO C[N@H+](Cc1cccc(Cl)c1)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000024679327 819863929 /nfs/dbraw/zinc/86/39/29/819863929.db2.gz WTBATSFPDYSFKY-KRWDZBQOSA-N 1 0 376.847 4.009 20 0 GIADRO O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+](Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000024804454 819878787 /nfs/dbraw/zinc/87/87/87/819878787.db2.gz NOWPUXMSNDMBRF-QGZVFWFLSA-N 1 0 379.435 4.331 20 0 GIADRO Cc1cc2cc(NC(=O)N3C[C@@H]4C[N@@H+](Cc5ccccc5)CC[C@@H]4C3)ccc2[nH]1 ZINC000573023531 823435334 /nfs/dbraw/zinc/43/53/34/823435334.db2.gz SOYQDWONHLJNGK-CTNGQTDRSA-N 1 0 388.515 4.462 20 0 GIADRO C[C@@H](OCCCNC(=O)NC1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000177329077 823435545 /nfs/dbraw/zinc/43/55/45/823435545.db2.gz RZUVWUFEOUYUPF-LJQANCHMSA-N 1 0 387.568 4.251 20 0 GIADRO O=C(CC[NH+]1CCC(C(=O)Nc2ccccc2)CC1)Nc1ccccc1Cl ZINC000024856775 819884808 /nfs/dbraw/zinc/88/48/08/819884808.db2.gz BWJRIFACFNYZAY-UHFFFAOYSA-N 1 0 385.895 4.019 20 0 GIADRO Cc1cc2cc(NC(=O)N3C[C@H]4CC[N@H+](Cc5ccccc5)C[C@@H]4C3)ccc2[nH]1 ZINC000573023534 823435585 /nfs/dbraw/zinc/43/55/85/823435585.db2.gz SOYQDWONHLJNGK-TZIWHRDSSA-N 1 0 388.515 4.462 20 0 GIADRO O=C(Nc1cccc(NC(=O)N2CCC([NH+]3CCCC3)CC2)c1)C1CCCCC1 ZINC000177332190 823436438 /nfs/dbraw/zinc/43/64/38/823436438.db2.gz YQKQGWOVIOKUNN-UHFFFAOYSA-N 1 0 398.551 4.298 20 0 GIADRO CCOC(=O)c1cc2cc(C(=O)Nc3cccc(C[NH+](CC)CC)c3)ccc2[nH]1 ZINC000024927818 819896554 /nfs/dbraw/zinc/89/65/54/819896554.db2.gz IGYQRYADLKPCOB-UHFFFAOYSA-N 1 0 393.487 4.439 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1csc(Cc2ccccc2)n1 ZINC000025133050 819934597 /nfs/dbraw/zinc/93/45/97/819934597.db2.gz RISNLSCAOKPACC-UHFFFAOYSA-N 1 0 391.540 4.260 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(Cl)s1 ZINC000177339142 823439526 /nfs/dbraw/zinc/43/95/26/823439526.db2.gz ZCNXQHJYUPHHGB-WFASDCNBSA-N 1 0 386.970 4.454 20 0 GIADRO CCCn1ccnc1CCC[N@H+](C)Cc1c(C)nn(-c2ccc(F)cc2)c1C ZINC000573045987 823439482 /nfs/dbraw/zinc/43/94/82/823439482.db2.gz KYJSCWMFYMPTTE-UHFFFAOYSA-N 1 0 383.515 4.299 20 0 GIADRO O=C(NC1CC1)c1ccc(C[N@@H+](CCSc2ccccc2F)C2CC2)cc1 ZINC000025185244 819940722 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4.276 20 0 GIADRO COc1ccc([C@@H]2CCCCC[N@@H+]2C[C@@H](O)COc2cccc(C(C)=O)c2)cc1 ZINC000025302204 819957946 /nfs/dbraw/zinc/95/79/46/819957946.db2.gz PDJZDQCQJKKBQC-QPPBQGQZSA-N 1 0 397.515 4.255 20 0 GIADRO CCOc1ccccc1Oc1ccccc1C(=O)NCC1CC[NH+](CC)CC1 ZINC000573057236 823441571 /nfs/dbraw/zinc/44/15/71/823441571.db2.gz RVJZHYGZPPPGMD-UHFFFAOYSA-N 1 0 382.504 4.339 20 0 GIADRO CCCOc1c(Cl)cc(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc1OC ZINC000025329460 819963770 /nfs/dbraw/zinc/96/37/70/819963770.db2.gz KBDOPSOAGPXAJO-INIZCTEOSA-N 1 0 396.940 4.232 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1ccccc1COc1ccccc1)c1ccsc1 ZINC000025332152 819964576 /nfs/dbraw/zinc/96/45/76/819964576.db2.gz CEZXZGISERYNAR-OAQYLSRUSA-N 1 0 380.513 4.360 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1ccc(COc2ccccc2)cc1)c1ccsc1 ZINC000025331675 819964807 /nfs/dbraw/zinc/96/48/07/819964807.db2.gz UKSOLYLRIXITLK-NRFANRHFSA-N 1 0 380.513 4.360 20 0 GIADRO CN(Cc1nc2c(s1)CCCC2)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000177350343 823442483 /nfs/dbraw/zinc/44/24/83/823442483.db2.gz DLHIXQQUFZXGAS-LJQANCHMSA-N 1 0 398.576 4.000 20 0 GIADRO O=C(CCc1ncc(-c2ccccc2)o1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000025384094 819973743 /nfs/dbraw/zinc/97/37/43/819973743.db2.gz YZPLSXAIUWZOKG-SFHVURJKSA-N 1 0 395.528 4.289 20 0 GIADRO Cc1ccc2nc(C[N@H+]3Cc4ccccc4[C@@H](c4ccccc4)C3)cc(=O)n2c1 ZINC000025400034 819975665 /nfs/dbraw/zinc/97/56/65/819975665.db2.gz PPFDIXYDVNLQGO-HSZRJFAPSA-N 1 0 381.479 4.151 20 0 GIADRO COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@@H+]3CCc4ccccc4C3)ccc2c1 ZINC000025410757 819977093 /nfs/dbraw/zinc/97/70/93/819977093.db2.gz MPXKNHFKAXKWJC-GOSISDBHSA-N 1 0 388.511 4.254 20 0 GIADRO Cc1cc2oc(=O)cc(C[NH+]3CCC(C(=O)c4ccc(O)cc4)CC3)c2cc1C ZINC000025449286 819982061 /nfs/dbraw/zinc/98/20/61/819982061.db2.gz ORZIIBSBMNUGOX-UHFFFAOYSA-N 1 0 391.467 4.210 20 0 GIADRO CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000177352494 823443153 /nfs/dbraw/zinc/44/31/53/823443153.db2.gz MWYBAHGEOATDCW-KSSFIOAISA-N 1 0 382.932 4.405 20 0 GIADRO Cc1[nH]c2ccc(C(=O)NCC(C)(C)[N@@H+]3CCc4ccccc4C3)cc2c1C ZINC000025459642 819985297 /nfs/dbraw/zinc/98/52/97/819985297.db2.gz ZUUKXBQFKMDHLR-UHFFFAOYSA-N 1 0 375.516 4.351 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)COc1ccc(Oc2ccccn2)cc1 ZINC000177354040 823443466 /nfs/dbraw/zinc/44/34/66/823443466.db2.gz SJSGBDRRMLOOCR-UHFFFAOYSA-N 1 0 391.471 4.261 20 0 GIADRO Cc1[nH]c2ccccc2c1CC(=O)NC[C@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000025541573 820000769 /nfs/dbraw/zinc/00/07/69/820000769.db2.gz SDBVAZPEIXZHGU-XMMPIXPASA-N 1 0 389.543 4.218 20 0 GIADRO Cc1ccc(NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)s1 ZINC000573075219 823444278 /nfs/dbraw/zinc/44/42/78/823444278.db2.gz KZEDNORPXNIRQI-LJQANCHMSA-N 1 0 399.560 4.107 20 0 GIADRO O=C(C[NH2+]C(c1ccccc1)c1ccccc1)N1CCc2[nH]c3ccccc3c2C1 ZINC000025549360 820001782 /nfs/dbraw/zinc/00/17/82/820001782.db2.gz DFGORGSBNVMEGG-UHFFFAOYSA-N 1 0 395.506 4.432 20 0 GIADRO C[C@@H](CNC(=O)c1csc(-c2cccs2)n1)[N@@H+]1CCc2ccccc2C1 ZINC000025637126 820009572 /nfs/dbraw/zinc/00/95/72/820009572.db2.gz KHOAEKMBUCKUHI-AWEZNQCLSA-N 1 0 383.542 4.048 20 0 GIADRO Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000573080793 823445300 /nfs/dbraw/zinc/44/53/00/823445300.db2.gz HVCJXBRDLZUNFQ-AWEZNQCLSA-N 1 0 395.425 4.131 20 0 GIADRO C[C@@H]1C[NH+](CCCNC(=O)[C@H](Sc2ccccc2)c2ccccc2)C[C@@H](C)O1 ZINC000058758079 823445344 /nfs/dbraw/zinc/44/53/44/823445344.db2.gz JKTVBUZUHNRMQV-WOIUINJBSA-N 1 0 398.572 4.136 20 0 GIADRO Cc1ccc([C@H](OC[C@@H](O)C[NH2+]CC2CC(F)(F)C2)c2ccccc2)cc1 ZINC000573083660 823445564 /nfs/dbraw/zinc/44/55/64/823445564.db2.gz HHJYRYWXSIOSOZ-LEWJYISDSA-N 1 0 375.459 4.097 20 0 GIADRO C[C@@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)c1cccc(OC(F)F)c1 ZINC000177367825 823446786 /nfs/dbraw/zinc/44/67/86/823446786.db2.gz DNBXAAMZZQNTHP-OAHLLOKOSA-N 1 0 395.494 4.445 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)C12CC3CC(CC(C3)C1)C2)c1cccc(OC)c1 ZINC000025858770 820031955 /nfs/dbraw/zinc/03/19/55/820031955.db2.gz ZUXQWLSIIQWMLU-NIRMEOIISA-N 1 0 384.564 4.411 20 0 GIADRO COc1cc(NC2CC[NH+](Cc3cc(F)cc4cccnc43)CC2)cc(OC)c1 ZINC000177371176 823447582 /nfs/dbraw/zinc/44/75/82/823447582.db2.gz WORUAKRLEVHJID-UHFFFAOYSA-N 1 0 395.478 4.468 20 0 GIADRO COc1ccc2oc(C[NH2+]Cc3ccc(C(=O)N4CCCCC4)cc3)cc2c1 ZINC000123010540 823447637 /nfs/dbraw/zinc/44/76/37/823447637.db2.gz SWERMBVUMVOQRD-UHFFFAOYSA-N 1 0 378.472 4.357 20 0 GIADRO Cc1cc(C)n(-c2ccc(C[NH+]3CCC([C@@H](O)c4ccccc4)CC3)cc2)n1 ZINC000025938293 820042360 /nfs/dbraw/zinc/04/23/60/820042360.db2.gz YAVSKLUVZCPVMQ-DEOSSOPVSA-N 1 0 375.516 4.435 20 0 GIADRO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCNC(=O)C(C)C)cc1C ZINC000026309565 820080792 /nfs/dbraw/zinc/08/07/92/820080792.db2.gz VGWINWNBNWUIMK-UHFFFAOYSA-N 1 0 390.531 4.018 20 0 GIADRO Clc1cc(C[NH2+]C[C@H](c2cccs2)N2CCCC2)cc2c1OCCCO2 ZINC000026310749 820080921 /nfs/dbraw/zinc/08/09/21/820080921.db2.gz CCAHBYOVIGALRY-QGZVFWFLSA-N 1 0 392.952 4.490 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(N2CCCC2=O)c1)c1ccc(Cl)cc1 ZINC000026369180 820090861 /nfs/dbraw/zinc/09/08/61/820090861.db2.gz SQBIQRYUCDBYSY-CABCVRRESA-N 1 0 385.895 4.145 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000026369240 820090899 /nfs/dbraw/zinc/09/08/99/820090899.db2.gz BOEFOYKDLZXFHU-GJZGRUSLSA-N 1 0 385.895 4.145 20 0 GIADRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ccc(Oc4cccc(F)c4)cc3)[C@H]2C1 ZINC000573132250 823451967 /nfs/dbraw/zinc/45/19/67/823451967.db2.gz OMEJKONNYWYZAM-TZYHBYERSA-N 1 0 382.479 4.355 20 0 GIADRO Cc1cc(C[NH2+]C[C@@H](O)c2ccc(F)cc2)cc(C)c1OCc1ccccn1 ZINC000058792135 823452727 /nfs/dbraw/zinc/45/27/27/823452727.db2.gz IDKIIGVQVYJPHM-JOCHJYFZSA-N 1 0 380.463 4.240 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@@H](C)c1cccc(NC(C)=O)c1)CC3 ZINC000123054069 823454095 /nfs/dbraw/zinc/45/40/95/823454095.db2.gz MLKLPVYKTZSHRH-KSSFIOAISA-N 1 0 377.488 4.343 20 0 GIADRO CCOc1cc(C[NH2+]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)ccc1OC(F)F ZINC000189617066 823459328 /nfs/dbraw/zinc/45/93/28/823459328.db2.gz LPHALHUNDCBYPP-GUYCJALGSA-N 1 0 397.384 4.260 20 0 GIADRO Fc1cccc(F)c1-c1n[nH]cc1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000573140407 823454292 /nfs/dbraw/zinc/45/42/92/823454292.db2.gz NBOBRPRABDHPJT-LVCYWYKZSA-N 1 0 395.453 4.359 20 0 GIADRO CC(C)C[C@@H](C)C[NH+]1CCN(CCCc2nc(-c3cccs3)no2)CC1 ZINC000410296673 823454553 /nfs/dbraw/zinc/45/45/53/823454553.db2.gz CYOGVGCHZPOAKG-QGZVFWFLSA-N 1 0 376.570 4.031 20 0 GIADRO Cc1cccc(Nc2nn(CN3CC[NH+](C4CCCC4)CC3)c(=S)s2)c1 ZINC000026627393 820124849 /nfs/dbraw/zinc/12/48/49/820124849.db2.gz JEQSWJNXGSWNOO-UHFFFAOYSA-N 1 0 389.594 4.244 20 0 GIADRO Cc1c(Cl)cccc1-n1ccn(CN2CC[NH+](C3CCCC3)CC2)c1=S ZINC000026628331 820125456 /nfs/dbraw/zinc/12/54/56/820125456.db2.gz JMLWJUKKUCWMCN-UHFFFAOYSA-N 1 0 390.984 4.488 20 0 GIADRO Cc1csc2nc(C[N@H+](CCc3ccccc3)Cc3ccccc3)cc(=O)n12 ZINC000026648761 820128210 /nfs/dbraw/zinc/12/82/10/820128210.db2.gz LUXIFZYFQDUVRM-UHFFFAOYSA-N 1 0 389.524 4.309 20 0 GIADRO COc1ccc(OC)c([C@H](C)[NH2+]C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)c1 ZINC000026715357 820136346 /nfs/dbraw/zinc/13/63/46/820136346.db2.gz LTAOOSKROZHHLZ-MPGHIAIKSA-N 1 0 393.911 4.147 20 0 GIADRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000573148034 823455674 /nfs/dbraw/zinc/45/56/74/823455674.db2.gz YTPBBCZMHXHMMS-MORSLUCNSA-N 1 0 381.442 4.035 20 0 GIADRO O=C(NC1CC[NH+](C2CCCC2)CC1)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000177413224 823456216 /nfs/dbraw/zinc/45/62/16/823456216.db2.gz XREKAAYLJHYYDY-MSOLQXFVSA-N 1 0 380.454 4.332 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCc1cnn(-c2ccccc2)c1)CC3 ZINC000123070605 823456810 /nfs/dbraw/zinc/45/68/10/823456810.db2.gz NEVGEALFKUAYFC-GOSISDBHSA-N 1 0 386.499 4.052 20 0 GIADRO O[C@]1(C[NH2+]Cc2ccc(OCc3ccncc3)cc2)CCC[C@H](C(F)(F)F)C1 ZINC000189605405 823456947 /nfs/dbraw/zinc/45/69/47/823456947.db2.gz RBUHKFLJELUCAK-AZUAARDMSA-N 1 0 394.437 4.234 20 0 GIADRO COC(=O)[C@H](C)[C@@H]([NH2+]Cc1cccc(OCC(F)(F)F)c1)c1ccccc1 ZINC000177415369 823456970 /nfs/dbraw/zinc/45/69/70/823456970.db2.gz HGVRWOCTYMEKOV-RDTXWAMCSA-N 1 0 381.394 4.268 20 0 GIADRO CC[NH+](CC)CC(=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1F ZINC000058812920 823456958 /nfs/dbraw/zinc/45/69/58/823456958.db2.gz SBPYRLDGGYDKFS-IBGZPJMESA-N 1 0 393.300 4.136 20 0 GIADRO O=C(NCC1(c2ccccc2)CCC1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000410304222 823457064 /nfs/dbraw/zinc/45/70/64/823457064.db2.gz BSWVTGJSEXHSKO-UHFFFAOYSA-N 1 0 391.559 4.115 20 0 GIADRO O=C(Nc1ccccc1)[C@H]1CCC[N@@H+](Cc2coc(-c3cccc(F)c3)n2)C1 ZINC000026910704 820163201 /nfs/dbraw/zinc/16/32/01/820163201.db2.gz MQLXILCGWHYMBU-KRWDZBQOSA-N 1 0 379.435 4.331 20 0 GIADRO CSc1ccc([C@H](CNC(=O)CCCOc2ccccc2F)[NH+](C)C)cc1 ZINC000573161320 823457535 /nfs/dbraw/zinc/45/75/35/823457535.db2.gz QPJFUYOITRLCSM-IBGZPJMESA-N 1 0 390.524 4.126 20 0 GIADRO COC(=O)[C@H](C)[C@H]([NH2+]Cc1cc(=O)oc2c(C)c(C)ccc12)c1ccccc1 ZINC000177417300 823457626 /nfs/dbraw/zinc/45/76/26/823457626.db2.gz RKSMVMBFOGNUOS-IERDGZPVSA-N 1 0 379.456 4.050 20 0 GIADRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1csc(-c2c(F)cccc2F)n1 ZINC000177416667 823457632 /nfs/dbraw/zinc/45/76/32/823457632.db2.gz SJTPDACGRGJOKY-UHFFFAOYSA-N 1 0 391.487 4.225 20 0 GIADRO CCOC(=O)c1cccc(N(CC)C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000058824080 823459603 /nfs/dbraw/zinc/45/96/03/823459603.db2.gz PDMFRSBSMROFDF-OAQYLSRUSA-N 1 0 394.515 4.128 20 0 GIADRO CC(C)[N@H+](CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1)C1CC1 ZINC000026942225 820166820 /nfs/dbraw/zinc/16/68/20/820166820.db2.gz KSFYURUFHJDDPD-UHFFFAOYSA-N 1 0 379.220 4.279 20 0 GIADRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1cc2ccc(Br)cc2[nH]1 ZINC000177420697 823458542 /nfs/dbraw/zinc/45/85/42/823458542.db2.gz XPHJQPYPONUXSE-UHFFFAOYSA-N 1 0 390.325 4.067 20 0 GIADRO COc1ccc2c(c1)C1(CC1)C[N@@H+](CCCCOc1c(OC)cccc1OC)C2 ZINC000573169804 823459012 /nfs/dbraw/zinc/45/90/12/823459012.db2.gz VUYIAAVOMQLIQJ-UHFFFAOYSA-N 1 0 397.515 4.419 20 0 GIADRO Cc1cc(CCC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)ccc1Br ZINC000177423939 823459174 /nfs/dbraw/zinc/45/91/74/823459174.db2.gz XMWZSZDEQPJRSV-GOSISDBHSA-N 1 0 393.369 4.167 20 0 GIADRO O[C@]1(C[NH2+]Cc2cnc(-c3cccs3)s2)CCC[C@H](C(F)(F)F)C1 ZINC000189619506 823460108 /nfs/dbraw/zinc/46/01/08/823460108.db2.gz ARAFATFAPKEGSA-XHDPSFHLSA-N 1 0 376.469 4.445 20 0 GIADRO C[C@@H](C1CC1)n1cc(NC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)cn1 ZINC000189639009 823464842 /nfs/dbraw/zinc/46/48/42/823464842.db2.gz OCDLXWNDGXMPBU-HNNXBMFYSA-N 1 0 389.931 4.103 20 0 GIADRO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3ccc4ccc(Cl)cc4n3)C2)CC1 ZINC000177449083 823464916 /nfs/dbraw/zinc/46/49/16/823464916.db2.gz ATNQUSODYZOCQN-QGZVFWFLSA-N 1 0 385.939 4.472 20 0 GIADRO COc1cccc(CCC(=O)Nc2cccc(C[NH+]3CCCCC3)c2)c1OC ZINC000027140339 820200181 /nfs/dbraw/zinc/20/01/81/820200181.db2.gz FCBVRRIECQEPPE-UHFFFAOYSA-N 1 0 382.504 4.261 20 0 GIADRO COc1ccc(SCCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000027140292 820200299 /nfs/dbraw/zinc/20/02/99/820200299.db2.gz UCAUSUXRCQIFFB-UHFFFAOYSA-N 1 0 384.545 4.090 20 0 GIADRO CSc1ncc(Cl)c(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)n1 ZINC000027142184 820200566 /nfs/dbraw/zinc/20/05/66/820200566.db2.gz TXGWQFSILXGXAB-UHFFFAOYSA-N 1 0 376.913 4.090 20 0 GIADRO C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000027142092 820200632 /nfs/dbraw/zinc/20/06/32/820200632.db2.gz XYUPPBJTJOBKHI-SFHVURJKSA-N 1 0 389.499 4.126 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Cc1coc2cc3c(cc12)CCC3)c1cccc(F)c1 ZINC000027145399 820201131 /nfs/dbraw/zinc/20/11/31/820201131.db2.gz STKBRRCXYITGDS-OAQYLSRUSA-N 1 0 380.463 4.022 20 0 GIADRO COc1ccc(Br)c(C[NH2+]CCc2nc3c(cccc3C)o2)c1 ZINC000410316617 823461038 /nfs/dbraw/zinc/46/10/38/823461038.db2.gz GNBDGFCPCBAIRC-UHFFFAOYSA-N 1 0 375.266 4.240 20 0 GIADRO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@@H](O)c1ccccc1F ZINC000123092987 823461179 /nfs/dbraw/zinc/46/11/79/823461179.db2.gz CBGNJZAAHCNUQV-OAQYLSRUSA-N 1 0 387.886 4.164 20 0 GIADRO CCOc1cccc2[nH]cc(CC(=O)NC[C@H](c3cccs3)[NH+]3CCCC3)c21 ZINC000189638799 823464946 /nfs/dbraw/zinc/46/49/46/823464946.db2.gz NDKISTPNZMYLAG-GOSISDBHSA-N 1 0 397.544 4.124 20 0 GIADRO COc1cccc([C@H](CNC(=O)Nc2cc(Cl)cc(Cl)c2)[NH+](C)C)c1 ZINC000058843161 823461325 /nfs/dbraw/zinc/46/13/25/823461325.db2.gz DYFVREMHLHAQHU-KRWDZBQOSA-N 1 0 382.291 4.426 20 0 GIADRO C[C@H](c1cccs1)N(C)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000123096628 823461735 /nfs/dbraw/zinc/46/17/35/823461735.db2.gz YHLLOHXFRSFGHA-OAHLLOKOSA-N 1 0 375.513 4.254 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)Nc1ccc(F)cc1Cl)[NH+]1CCCC1 ZINC000058847397 823461759 /nfs/dbraw/zinc/46/17/59/823461759.db2.gz XKLCYMOLLHMIOF-SFHVURJKSA-N 1 0 391.874 4.446 20 0 GIADRO Cc1ccccc1[C@H]([C@H](C)[NH2+][C@H](C)c1ccc(Br)cn1)N(C)C ZINC000573178853 823461802 /nfs/dbraw/zinc/46/18/02/823461802.db2.gz RQVZRPHZEQRODT-VCBZYWHSSA-N 1 0 376.342 4.495 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)NCCSc2ccccc2)CC1 ZINC000410331484 823465414 /nfs/dbraw/zinc/46/54/14/823465414.db2.gz ZOOOBUSWYDTKLQ-UHFFFAOYSA-N 1 0 383.561 4.051 20 0 GIADRO O=C(c1cccn1Cc1cccs1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000058878894 823465098 /nfs/dbraw/zinc/46/50/98/823465098.db2.gz OIIQNUVOAFIIGT-UHFFFAOYSA-N 1 0 385.577 4.326 20 0 GIADRO CCCCNC(=S)C(C(=O)c1cccc(OC)c1)[n+]1ccc(CCC)cc1 ZINC000027324054 820224162 /nfs/dbraw/zinc/22/41/62/820224162.db2.gz MDUXNHFSYSLFMO-UHFFFAOYSA-O 1 0 385.553 4.264 20 0 GIADRO O=C(CCc1ccc(-c2ccccc2)o1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000027333672 820226024 /nfs/dbraw/zinc/22/60/24/820226024.db2.gz VVPNRKMKUKLIRA-HXUWFJFHSA-N 1 0 378.472 4.426 20 0 GIADRO CC(C)(C)OC(=O)Nc1cccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000027334988 820226364 /nfs/dbraw/zinc/22/63/64/820226364.db2.gz PHEZQCKNGDWQDY-GOSISDBHSA-N 1 0 399.491 4.194 20 0 GIADRO COc1cccc([C@@H](CNC(=O)c2cccc(-n3cccc3)c2)[NH+]2CCCC2)c1 ZINC000027341528 820227687 /nfs/dbraw/zinc/22/76/87/820227687.db2.gz OIDLETUZDPWSSB-HSZRJFAPSA-N 1 0 389.499 4.053 20 0 GIADRO O=C(CCCOc1ccccc1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000027344106 820228418 /nfs/dbraw/zinc/22/84/18/820228418.db2.gz YNOLVSWAZQAOBX-OAQYLSRUSA-N 1 0 386.923 4.452 20 0 GIADRO Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000573185627 823462865 /nfs/dbraw/zinc/46/28/65/823462865.db2.gz DUBUSOANICXENW-PWSUYJOCSA-N 1 0 394.302 4.312 20 0 GIADRO COc1sc(C[NH2+]CCc2nc3c(cccc3C)o2)cc1Br ZINC000410323779 823462977 /nfs/dbraw/zinc/46/29/77/823462977.db2.gz OVYTXYGKPHFQHY-UHFFFAOYSA-N 1 0 381.295 4.301 20 0 GIADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000027390249 820237718 /nfs/dbraw/zinc/23/77/18/820237718.db2.gz YVNBMMGVNDHACY-UHFFFAOYSA-N 1 0 381.907 4.478 20 0 GIADRO CC[C@H](C)[NH2+]Cc1ccc(OCC(=O)Nc2ccc(F)c(Cl)c2)c(OC)c1 ZINC000027392686 820238393 /nfs/dbraw/zinc/23/83/93/820238393.db2.gz SGSFDWMYLMZYLJ-ZDUSSCGKSA-N 1 0 394.874 4.393 20 0 GIADRO COc1ccccc1C(C)(C)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000058860142 823463404 /nfs/dbraw/zinc/46/34/04/823463404.db2.gz ONFBKDFSEXCUHG-UHFFFAOYSA-N 1 0 380.532 4.001 20 0 GIADRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1ccccc1C(=O)c1cccs1 ZINC000177446268 823463859 /nfs/dbraw/zinc/46/38/59/823463859.db2.gz WWQYASXCEJKSFZ-UHFFFAOYSA-N 1 0 382.529 4.116 20 0 GIADRO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@@H]1C[C@@H](C(C)C)c2ccccc21 ZINC000573193310 823463910 /nfs/dbraw/zinc/46/39/10/823463910.db2.gz BDOLUUJRAGVUGN-WWNPGLIZSA-N 1 0 375.516 4.299 20 0 GIADRO CCC(CC)C(=O)N1CCC([NH2+][C@H]2CCc3[nH]c4ccc(OC)cc4c3C2)CC1 ZINC000123114261 823464645 /nfs/dbraw/zinc/46/46/45/823464645.db2.gz SDYOFOHUZPZOSE-SFHVURJKSA-N 1 0 397.563 4.051 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)c1ccc(F)cc1Cl)[NH+]1CCCC1 ZINC000027570911 820260366 /nfs/dbraw/zinc/26/03/66/820260366.db2.gz KSSOPZDSOQHRRN-SFHVURJKSA-N 1 0 376.859 4.055 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)c1ccc(F)cc1Cl)[NH+]1CCCC1 ZINC000027570907 820260549 /nfs/dbraw/zinc/26/05/49/820260549.db2.gz KSSOPZDSOQHRRN-GOSISDBHSA-N 1 0 376.859 4.055 20 0 GIADRO COc1ccc(CCC(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)cc1 ZINC000027573187 820261268 /nfs/dbraw/zinc/26/12/68/820261268.db2.gz WRXJRGAQPBNNEV-HXUWFJFHSA-N 1 0 386.561 4.279 20 0 GIADRO COc1ccc(CCC(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)cc1 ZINC000027573190 820261311 /nfs/dbraw/zinc/26/13/11/820261311.db2.gz WRXJRGAQPBNNEV-FQEVSTJZSA-N 1 0 386.561 4.279 20 0 GIADRO Cc1cc(C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)c(C)n1CC(F)(F)F ZINC000058880315 823465812 /nfs/dbraw/zinc/46/58/12/823465812.db2.gz BJFOLKYKFCYDJT-UHFFFAOYSA-N 1 0 399.501 4.395 20 0 GIADRO Cc1oc(-c2ccccc2)nc1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000027604041 820266403 /nfs/dbraw/zinc/26/64/03/820266403.db2.gz ZIOCOLHDGNZDSH-QGZVFWFLSA-N 1 0 381.501 4.278 20 0 GIADRO Cc1oc(-c2ccccc2)nc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000027604045 820266413 /nfs/dbraw/zinc/26/64/13/820266413.db2.gz ZIOCOLHDGNZDSH-KRWDZBQOSA-N 1 0 381.501 4.278 20 0 GIADRO CC[C@H](NC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)c1ccc(OC)cc1 ZINC000410332743 823465946 /nfs/dbraw/zinc/46/59/46/823465946.db2.gz MFBBSJVIAXMXJJ-QHCPKHFHSA-N 1 0 395.547 4.419 20 0 GIADRO CC[N@H+](CC(=O)OC(C)(C)C)C1CCN(c2noc3ccc(Cl)cc32)CC1 ZINC000573212767 823466234 /nfs/dbraw/zinc/46/62/34/823466234.db2.gz HUPRPDLYSISWLO-UHFFFAOYSA-N 1 0 393.915 4.114 20 0 GIADRO C[C@H](NC(=O)N[C@@H]1CCc2sc(Cl)cc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000460650283 823466478 /nfs/dbraw/zinc/46/64/78/823466478.db2.gz CFNQPYPKTVBRMI-HEHGZKQESA-N 1 0 381.973 4.341 20 0 GIADRO Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000027756142 820282661 /nfs/dbraw/zinc/28/26/61/820282661.db2.gz JQXSHLCOEOTYRA-ZDUSSCGKSA-N 1 0 377.941 4.376 20 0 GIADRO COc1ccccc1/C=C(/C(=O)N[C@H](C)C[NH+]1CCCCC1)c1ccccc1 ZINC000027763113 820283601 /nfs/dbraw/zinc/28/36/01/820283601.db2.gz PXZRSWDZENZFSW-ACXJOVJBSA-N 1 0 378.516 4.226 20 0 GIADRO COc1ccc2ccccc2c1CN(C(=O)N[C@@H]1CC[NH2+][C@H](C)C1)C1CCCC1 ZINC000573225400 823467877 /nfs/dbraw/zinc/46/78/77/823467877.db2.gz FPTLWOHDHTWZSX-IEBWSBKVSA-N 1 0 395.547 4.443 20 0 GIADRO COc1ccc([C@@H](NC(=O)C[N@H+](C)[C@@H]2CCCc3ccccc32)C2CC2)cc1 ZINC000027906712 820295433 /nfs/dbraw/zinc/29/54/33/820295433.db2.gz FWKNTQHVSVYGNV-VWNXMTODSA-N 1 0 378.516 4.272 20 0 GIADRO CC1CC[NH+](CCCCNC(=O)c2ccc(Br)cc2Cl)CC1 ZINC000058899264 823467970 /nfs/dbraw/zinc/46/79/70/823467970.db2.gz HVECZPFPOCXODZ-UHFFFAOYSA-N 1 0 387.749 4.344 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2cccc(OCc3cccnc3)c2)C1 ZINC000058899387 823467989 /nfs/dbraw/zinc/46/79/89/823467989.db2.gz OOZRMAMFXMEVTI-BGYRXZFFSA-N 1 0 395.547 4.149 20 0 GIADRO CCOc1ccc(SCC(=O)NC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000027928932 820298066 /nfs/dbraw/zinc/29/80/66/820298066.db2.gz VLKQHBSLYVSVRT-UHFFFAOYSA-N 1 0 398.572 4.001 20 0 GIADRO CC(C)(C)c1ccccc1OCC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000027931060 820298131 /nfs/dbraw/zinc/29/81/31/820298131.db2.gz DBIMYTPUVMRAQQ-UHFFFAOYSA-N 1 0 394.559 4.186 20 0 GIADRO COC(=O)c1cccc(NC(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)c1 ZINC000410346589 823469114 /nfs/dbraw/zinc/46/91/14/823469114.db2.gz WEUCFLFUESTCKP-KRWDZBQOSA-N 1 0 395.503 4.169 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCC[C@@H]2c2cccn2C)cc1 ZINC000410346665 823469128 /nfs/dbraw/zinc/46/91/28/823469128.db2.gz WDKRXLXQDSFLIM-WMZHIEFXSA-N 1 0 394.563 4.446 20 0 GIADRO CCOc1ccc(C(=O)CCC(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000028165537 820314887 /nfs/dbraw/zinc/31/48/87/820314887.db2.gz OLCKADPOWDXNGE-UHFFFAOYSA-N 1 0 380.488 4.283 20 0 GIADRO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1nn(-c2ccccc2)c2c1CCC2 ZINC000028176665 820316208 /nfs/dbraw/zinc/31/62/08/820316208.db2.gz YRSKXPWCGJBCHE-UHFFFAOYSA-N 1 0 386.499 4.209 20 0 GIADRO 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 823469791 /nfs/dbraw/zinc/46/97/91/823469791.db2.gz UWZUGSPASNKZGS-VQHPVUNQSA-N 1 0 389.506 4.402 20 0 GIADRO O=C(COc1cc(Cl)c(Cl)cc1Cl)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000058918909 823470256 /nfs/dbraw/zinc/47/02/56/823470256.db2.gz UWYZJGBYZIDPCE-LBPRGKRZSA-N 1 0 391.726 4.112 20 0 GIADRO C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000058918477 823470281 /nfs/dbraw/zinc/47/02/81/823470281.db2.gz ONEZFBPYGUFFJT-KNQAVFIVSA-N 1 0 378.516 4.208 20 0 GIADRO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)C1 ZINC000058925233 823470926 /nfs/dbraw/zinc/47/09/26/823470926.db2.gz PYRSXBKAEUUDGI-KRWDZBQOSA-N 1 0 375.472 4.080 20 0 GIADRO CC[N@H+](CCNC(=O)N[C@@H](C)c1ccc(C(F)(F)F)cc1)CCC(F)(F)F ZINC000460665162 823471052 /nfs/dbraw/zinc/47/10/52/823471052.db2.gz XWNUGKKJKBSSGC-LBPRGKRZSA-N 1 0 399.379 4.340 20 0 GIADRO CCc1ccc(NC(=O)NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000410353249 823471149 /nfs/dbraw/zinc/47/11/49/823471149.db2.gz MGUKLSJIZWZAPE-HDICACEKSA-N 1 0 381.520 4.180 20 0 GIADRO CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H](C)c2ccccc2)c1 ZINC000177476446 823471842 /nfs/dbraw/zinc/47/18/42/823471842.db2.gz AETIVVZOLLWCTC-QYZOEREBSA-N 1 0 395.547 4.277 20 0 GIADRO CSCc1cccc(CNC(=O)NC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000189672916 823472001 /nfs/dbraw/zinc/47/20/01/823472001.db2.gz OPTRZDUNEKUDBQ-UHFFFAOYSA-N 1 0 397.588 4.056 20 0 GIADRO Cc1cccc2oc(CC[NH2+][C@@H](C)c3ncc(Br)cc3F)nc21 ZINC000410355921 823472156 /nfs/dbraw/zinc/47/21/56/823472156.db2.gz ALQUJMKXQRMAKU-NSHDSACASA-N 1 0 378.245 4.326 20 0 GIADRO CCc1nc2c(s1)[C@@H](N(C)C(=O)NC[C@H](c1cccs1)[NH+](C)C)CCC2 ZINC000123163780 823472573 /nfs/dbraw/zinc/47/25/73/823472573.db2.gz MFHNSHWKRZHCMH-LSDHHAIUSA-N 1 0 392.594 4.089 20 0 GIADRO CCc1nnc(-c2ccc(NC(=O)NC[C@H](c3ccc(C)cc3)[NH+](C)C)cc2)o1 ZINC000177483017 823472817 /nfs/dbraw/zinc/47/28/17/823472817.db2.gz MPPXXKXRLQXKEM-LJQANCHMSA-N 1 0 393.491 4.032 20 0 GIADRO COc1ccc([C@H](NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c2ccco2)cc1 ZINC000573266115 823473185 /nfs/dbraw/zinc/47/31/85/823473185.db2.gz UEYKPMOYXTYGKK-OFNKIYASSA-N 1 0 390.483 4.016 20 0 GIADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccc(OCC(F)(F)F)cc1 ZINC000028834519 820361990 /nfs/dbraw/zinc/36/19/90/820361990.db2.gz GONGPWUZPPDYDS-MRXNPFEDSA-N 1 0 398.450 4.256 20 0 GIADRO C[C@@H](Cc1cccs1)NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000410358982 823473511 /nfs/dbraw/zinc/47/35/11/823473511.db2.gz JNDPIITXNTZIFS-MSOLQXFVSA-N 1 0 385.577 4.410 20 0 GIADRO COC(=O)c1ccc(NC(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000410358624 823473527 /nfs/dbraw/zinc/47/35/27/823473527.db2.gz GYFFOKXKXHACPT-KRWDZBQOSA-N 1 0 395.503 4.027 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCCOc1ccccc1F ZINC000410358253 823473533 /nfs/dbraw/zinc/47/35/33/823473533.db2.gz FDQKNRCMTHOCAC-SFHVURJKSA-N 1 0 399.510 4.078 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1)C(=O)Nc1cccnc1Cl ZINC000028878194 820366161 /nfs/dbraw/zinc/36/61/61/820366161.db2.gz SBJNEMGMYUXXCO-WDEREUQCSA-N 1 0 382.689 4.175 20 0 GIADRO Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]Cc1cccc(N2CCOCC2)c1 ZINC000573271672 823473742 /nfs/dbraw/zinc/47/37/42/823473742.db2.gz VGYOKSPQKGFTPP-NRFANRHFSA-N 1 0 386.923 4.489 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)CC[N@H+](C)CCOc1cccc(Cl)c1 ZINC000028901439 820369808 /nfs/dbraw/zinc/36/98/08/820369808.db2.gz GPNOKQFASYMJJD-UHFFFAOYSA-N 1 0 397.302 4.341 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)Nc2cnn([C@@H](C)C3CC3)c2)CC1 ZINC000189680358 823474076 /nfs/dbraw/zinc/47/40/76/823474076.db2.gz JIZPFWLMXBYLFE-KRWDZBQOSA-N 1 0 375.561 4.220 20 0 GIADRO COCc1cccc(NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000410360596 823474152 /nfs/dbraw/zinc/47/41/52/823474152.db2.gz RUOXCYSJXAIESM-SFHVURJKSA-N 1 0 381.520 4.387 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N(C)Cc2ccccc2F)C1 ZINC000410364180 823475146 /nfs/dbraw/zinc/47/51/46/823475146.db2.gz YIWYJQDDBIXOFB-GOSISDBHSA-N 1 0 383.511 4.399 20 0 GIADRO C[C@@H]1C[N@@H+](CCCNC(=O)c2ccccc2Sc2ccccc2)C[C@H](C)O1 ZINC000460676318 823475384 /nfs/dbraw/zinc/47/53/84/823475384.db2.gz IFQFMHRLRZKSIG-HDICACEKSA-N 1 0 384.545 4.067 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Cc1ccc(OC(F)F)cc1)c1ccccc1 ZINC000029166698 820403429 /nfs/dbraw/zinc/40/34/29/820403429.db2.gz INRKQAVPZORSDP-IBGZPJMESA-N 1 0 376.447 4.030 20 0 GIADRO COc1cc(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)ccc1OCC(C)C ZINC000029177678 820406305 /nfs/dbraw/zinc/40/63/05/820406305.db2.gz SFFQVHMERABMSQ-OAQYLSRUSA-N 1 0 396.531 4.297 20 0 GIADRO CCc1ccc(C(=O)CCC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000029177819 820406372 /nfs/dbraw/zinc/40/63/72/820406372.db2.gz OZRVCVLKCUGOEH-JOCHJYFZSA-N 1 0 378.516 4.165 20 0 GIADRO O=C(Cc1cccc(C(F)(F)F)c1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000029177440 820406386 /nfs/dbraw/zinc/40/63/86/820406386.db2.gz KQRNYJJYKSBNPD-LJQANCHMSA-N 1 0 376.422 4.201 20 0 GIADRO O=C(CCC(=O)c1ccc(Cl)cc1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000029177419 820406392 /nfs/dbraw/zinc/40/63/92/820406392.db2.gz KITFULJJIFDNHT-FQEVSTJZSA-N 1 0 384.907 4.256 20 0 GIADRO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(Br)cc1F ZINC000029178711 820407078 /nfs/dbraw/zinc/40/70/78/820407078.db2.gz VZDAUKZZEKDAQO-GOSISDBHSA-N 1 0 391.284 4.155 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCCc1ccc(Cl)s1 ZINC000410367105 823476674 /nfs/dbraw/zinc/47/66/74/823476674.db2.gz JHWSBWIIYITNFD-UHFFFAOYSA-N 1 0 379.957 4.284 20 0 GIADRO CCOc1cccc(CNC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)c1 ZINC000410371196 823478487 /nfs/dbraw/zinc/47/84/87/823478487.db2.gz SLNYMTKPTBGCNE-IBGZPJMESA-N 1 0 395.547 4.459 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCCc2ccc(F)cc2)C1 ZINC000410371765 823478610 /nfs/dbraw/zinc/47/86/10/823478610.db2.gz UFMQYGFRUPPTNQ-SFHVURJKSA-N 1 0 383.511 4.100 20 0 GIADRO O=C(Nc1cccc(CN2CCCC2=O)c1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000029292400 820430075 /nfs/dbraw/zinc/43/00/75/820430075.db2.gz ZGXQWQUOTAUHGC-UHFFFAOYSA-N 1 0 391.515 4.047 20 0 GIADRO COc1cnccc1[C@H](C)NC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000189700443 823479034 /nfs/dbraw/zinc/47/90/34/823479034.db2.gz YUTNLFVWYYPQNY-MSOLQXFVSA-N 1 0 396.535 4.025 20 0 GIADRO C[C@H](c1cn(C)c2ccccc12)c1nc(-c2ccc(OCC[NH+](C)C)cc2)no1 ZINC000573352064 823483126 /nfs/dbraw/zinc/48/31/26/823483126.db2.gz ANZAKRXRPCFGOU-MRXNPFEDSA-N 1 0 390.487 4.321 20 0 GIADRO C[C@@H]1C[N@@H+](CCC2CCN(Cc3coc(-c4ccccc4)n3)CC2)C[C@H](C)O1 ZINC000177509231 823479230 /nfs/dbraw/zinc/47/92/30/823479230.db2.gz RSDDTQFIFONKDB-KDURUIRLSA-N 1 0 383.536 4.053 20 0 GIADRO C[N@@H+]1CC[C@H](NC(=O)Nc2ccccc2CC(F)(F)F)[C@@H]1c1ccccc1 ZINC000189702124 823479392 /nfs/dbraw/zinc/47/93/92/823479392.db2.gz WQDMKOCIWMMOKT-ROUUACIJSA-N 1 0 377.410 4.358 20 0 GIADRO C[C@H](c1ccccc1)N(C)C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000410372929 823479393 /nfs/dbraw/zinc/47/93/93/823479393.db2.gz WLPICPOKXXSBQK-HSALFYBXSA-N 1 0 395.547 4.198 20 0 GIADRO COc1ccccc1CNC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000410376248 823480659 /nfs/dbraw/zinc/48/06/59/823480659.db2.gz UKXBISFZYGPWFO-SFHVURJKSA-N 1 0 381.520 4.069 20 0 GIADRO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc3nc(C4CC4)oc3c2)[C@@H]1c1ccccc1 ZINC000189714879 823480783 /nfs/dbraw/zinc/48/07/83/823480783.db2.gz RXZWHZDUOVSUGX-ICSRJNTNSA-N 1 0 376.460 4.272 20 0 GIADRO O=C(NCc1ccc(OCc2ccccc2)cc1)N1CC[NH+](C2CCCC2)CC1 ZINC000410379597 823481244 /nfs/dbraw/zinc/48/12/44/823481244.db2.gz DYSVDGAGXLVQHN-UHFFFAOYSA-N 1 0 393.531 4.035 20 0 GIADRO O=C(C[NH+]1C[C@@H]2CCCC[C@H]2C1)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000177521432 823481275 /nfs/dbraw/zinc/48/12/75/823481275.db2.gz SOXOOGNOKJPMTL-HOTGVXAUSA-N 1 0 383.517 4.061 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)c2cnn(-c3cccc(C)c3)c2C)cc1 ZINC000029549910 820474721 /nfs/dbraw/zinc/47/47/21/820474721.db2.gz IFCFCBLLOSYWDK-UHFFFAOYSA-N 1 0 390.531 4.261 20 0 GIADRO Cc1c(C(=O)NCc2ccccc2C[NH+]2CCCC2)cnn1-c1cccc(C)c1 ZINC000029552189 820475394 /nfs/dbraw/zinc/47/53/94/820475394.db2.gz HIAHCBOENNRWEI-UHFFFAOYSA-N 1 0 388.515 4.015 20 0 GIADRO O=C(NC1CC[NH+](C2CC2)CC1)c1sc(-c2ccco2)nc1-c1ccccc1 ZINC000029609267 820483647 /nfs/dbraw/zinc/48/36/47/820483647.db2.gz ZJKQVTGZQMYXSN-UHFFFAOYSA-N 1 0 393.512 4.427 20 0 GIADRO CN(C(=O)c1cc(F)c(Cl)cc1Cl)C1CC[NH+](Cc2ccncc2)CC1 ZINC000059008684 823482339 /nfs/dbraw/zinc/48/23/39/823482339.db2.gz GCZNJXVKGRKKAO-UHFFFAOYSA-N 1 0 396.293 4.264 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000177525500 823482413 /nfs/dbraw/zinc/48/24/13/823482413.db2.gz IKDWHQPZJCQHEQ-INIZCTEOSA-N 1 0 386.471 4.209 20 0 GIADRO CSc1nnc(CCC[NH2+]C2CCC(C(F)(F)F)CC2)n1CC(C)C ZINC000123242465 823484028 /nfs/dbraw/zinc/48/40/28/823484028.db2.gz LLXXYBRPRDLEPA-UHFFFAOYSA-N 1 0 378.508 4.299 20 0 GIADRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)cc1 ZINC000029701256 820500610 /nfs/dbraw/zinc/50/06/10/820500610.db2.gz NJYFFSSWCAAMEF-CTNGQTDRSA-N 1 0 398.466 4.069 20 0 GIADRO CC(C)Oc1ccc(CNC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000059037228 823484185 /nfs/dbraw/zinc/48/41/85/823484185.db2.gz GICPSXKKVVCJFT-HXUWFJFHSA-N 1 0 385.508 4.093 20 0 GIADRO Cc1ccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc1-c1ncco1 ZINC000189735683 823484511 /nfs/dbraw/zinc/48/45/11/823484511.db2.gz VTCILKHBMLOEIA-WOJBJXKFSA-N 1 0 376.460 4.217 20 0 GIADRO Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000177534017 823484612 /nfs/dbraw/zinc/48/46/12/823484612.db2.gz TYNWJTDCHZKWAR-NEPJUHHUSA-N 1 0 385.455 4.226 20 0 GIADRO O=C(Nc1cccc(OCc2cccc(F)c2)c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000177536188 823485289 /nfs/dbraw/zinc/48/52/89/823485289.db2.gz XDEUBJDRLPZPAA-LJQANCHMSA-N 1 0 397.494 4.354 20 0 GIADRO C[NH+](C)CCOc1ccc(CNC(=O)Nc2ccc3c4c(cccc42)CC3)cc1 ZINC000410395596 823485545 /nfs/dbraw/zinc/48/55/45/823485545.db2.gz QGHAIHHYWPXMBZ-UHFFFAOYSA-N 1 0 389.499 4.201 20 0 GIADRO CCOc1ccc(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c(C(F)(F)F)c1 ZINC000177539646 823485968 /nfs/dbraw/zinc/48/59/68/823485968.db2.gz IZONELDJBSPURZ-CQSZACIVSA-N 1 0 385.430 4.054 20 0 GIADRO C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029825897 820525630 /nfs/dbraw/zinc/52/56/30/820525630.db2.gz GASBGKXLDPFQFL-QWFCFKBJSA-N 1 0 391.515 4.316 20 0 GIADRO C[C@H](C(=O)N1CCCc2ccccc21)[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029825504 820525729 /nfs/dbraw/zinc/52/57/29/820525729.db2.gz QPFXFYGQYDPWMR-IEBWSBKVSA-N 1 0 389.499 4.375 20 0 GIADRO C[C@@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029828827 820527701 /nfs/dbraw/zinc/52/77/01/820527701.db2.gz YPBHSRGOQJLSEZ-DOTOQJQBSA-N 1 0 395.528 4.042 20 0 GIADRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1cc(Cl)nc2ccccc21 ZINC000029839316 820529415 /nfs/dbraw/zinc/52/94/15/820529415.db2.gz BPTPHVZSZOYCJX-UHFFFAOYSA-N 1 0 379.891 4.066 20 0 GIADRO O=C(CSCc1cccc(Cl)c1)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000029838421 820529574 /nfs/dbraw/zinc/52/95/74/820529574.db2.gz QDIXPNTYTFKDMK-UHFFFAOYSA-N 1 0 388.964 4.138 20 0 GIADRO C[C@@H](C1CC1)[N@H+](CC(=O)Nc1ccccc1N1CCCC1=O)Cc1ccccc1 ZINC000029843748 820531412 /nfs/dbraw/zinc/53/14/12/820531412.db2.gz LECGUXXFVQYYKN-SFHVURJKSA-N 1 0 391.515 4.053 20 0 GIADRO Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1NC(=O)Nc1ccccc1 ZINC000177543919 823486954 /nfs/dbraw/zinc/48/69/54/823486954.db2.gz ZGLUFIVRAGZWEL-WOJBJXKFSA-N 1 0 394.519 4.242 20 0 GIADRO CC[C@@H](CNC(=O)c1c(C)onc1-c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000029907987 820545445 /nfs/dbraw/zinc/54/54/45/820545445.db2.gz BCTIDIOVZSDEAW-NRFANRHFSA-N 1 0 389.499 4.217 20 0 GIADRO COc1ccccc1NC(=O)C1CC[NH+](Cc2cc(-c3ccccc3)no2)CC1 ZINC000029908565 820545850 /nfs/dbraw/zinc/54/58/50/820545850.db2.gz VAFMVUWOTSUPNY-UHFFFAOYSA-N 1 0 391.471 4.201 20 0 GIADRO COc1ccccc1NC(=O)C1CC[NH+](Cc2ccc(F)c3cccnc23)CC1 ZINC000029911572 820546830 /nfs/dbraw/zinc/54/68/30/820546830.db2.gz YNZSLWMWKOEYFY-UHFFFAOYSA-N 1 0 393.462 4.233 20 0 GIADRO C[NH+](C)Cc1ccc(NC(=O)c2ccccc2C(=O)c2ccc(F)cc2)cc1 ZINC000029951785 820555971 /nfs/dbraw/zinc/55/59/71/820555971.db2.gz QQDSDXZKIAZPJX-UHFFFAOYSA-N 1 0 376.431 4.371 20 0 GIADRO O=S(=O)(N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1cccc(Cl)c1Cl ZINC000030004431 820566647 /nfs/dbraw/zinc/56/66/47/820566647.db2.gz UADDOQWOJFBOAT-INIZCTEOSA-N 1 0 399.343 4.109 20 0 GIADRO COc1cc(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)ccc1OC(C)C ZINC000189783996 823493634 /nfs/dbraw/zinc/49/36/34/823493634.db2.gz AKBIZJFRSRYGBR-WIYYLYMNSA-N 1 0 383.492 4.049 20 0 GIADRO CCOc1ccc(NC(=O)c2ccc(NC(=O)C[N@H+](C)[C@@H](C)C(C)C)cc2)cc1 ZINC000030148828 820578930 /nfs/dbraw/zinc/57/89/30/820578930.db2.gz NHDDFKJZGVKARB-KRWDZBQOSA-N 1 0 397.519 4.252 20 0 GIADRO CC[NH+](CC)CCOc1ccc(CNC(=O)[C@@H]2CCSc3ccccc32)cc1 ZINC000460718957 823493944 /nfs/dbraw/zinc/49/39/44/823493944.db2.gz PMWSOBWAKYDPPX-OAQYLSRUSA-N 1 0 398.572 4.303 20 0 GIADRO COc1cccc2cc(C(=O)N3c4ccc(C)cc4[C@H]4C[N@@H+](C)CC[C@@H]43)oc21 ZINC000123307165 823494001 /nfs/dbraw/zinc/49/40/01/823494001.db2.gz FWQZMNXSMIQTLY-MJGOQNOKSA-N 1 0 376.456 4.198 20 0 GIADRO CC(C)c1cccc(O[C@@H](C(=O)N(C)C2CC[NH+](C)CC2)c2ccccc2)c1 ZINC000410426523 823494321 /nfs/dbraw/zinc/49/43/21/823494321.db2.gz PXQHIFYRGBZOCR-HSZRJFAPSA-N 1 0 380.532 4.483 20 0 GIADRO C[C@@H](CNC(=O)C1(c2cccc(C(F)(F)F)c2)CCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000460724222 823495392 /nfs/dbraw/zinc/49/53/92/823495392.db2.gz ZHQNZGADPPIHLV-CVEARBPZSA-N 1 0 382.470 4.364 20 0 GIADRO CCN(CCC[NH+]1CCCC1)C(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F ZINC000189788346 823494482 /nfs/dbraw/zinc/49/44/82/823494482.db2.gz SULMNBYSRHLMKZ-MRXNPFEDSA-N 1 0 393.400 4.086 20 0 GIADRO Cc1noc(C)c1CSc1ccccc1C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000177576485 823494853 /nfs/dbraw/zinc/49/48/53/823494853.db2.gz LTZHMABCDJKBAL-IAGOWNOFSA-N 1 0 387.549 4.186 20 0 GIADRO COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]Cc2ccc3c(c2)OCO3)c1 ZINC000177557595 823490582 /nfs/dbraw/zinc/49/05/82/823490582.db2.gz JUBSWKHYXDVJQT-UHFFFAOYSA-N 1 0 393.487 4.332 20 0 GIADRO CSc1nnc(CCC[NH2+]Cc2cnc(C(C)(C)C)s2)n1CC(C)C ZINC000177558828 823490853 /nfs/dbraw/zinc/49/08/53/823490853.db2.gz ILPGHQGMFJVQIP-UHFFFAOYSA-N 1 0 381.615 4.132 20 0 GIADRO CC[C@@H](CNC(=O)N(Cc1ccc(F)cc1)C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000059308499 823491154 /nfs/dbraw/zinc/49/11/54/823491154.db2.gz PAEJIFOIWKONEE-QFIPXVFZSA-N 1 0 395.522 4.337 20 0 GIADRO COc1cc([C@@H](C)[NH2+]Cc2cc(=O)oc3c(C)c(O)ccc23)ccc1OC(C)C ZINC000030492424 820622543 /nfs/dbraw/zinc/62/25/43/820622543.db2.gz NLDUDIBVNGABIX-OAHLLOKOSA-N 1 0 397.471 4.454 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc(C)c2)cc1Br ZINC000030509590 820627129 /nfs/dbraw/zinc/62/71/29/820627129.db2.gz VZLOXNPZIAMVDO-KGLIPLIRSA-N 1 0 391.309 4.444 20 0 GIADRO COc1cccc2c1CCC[C@@H]2[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000573430207 823492177 /nfs/dbraw/zinc/49/21/77/823492177.db2.gz XLJJJYPCDSAGKR-INIZCTEOSA-N 1 0 390.277 4.354 20 0 GIADRO COc1cc([C@@H](C)[NH2+]C[C@@H](O)COc2ccc(Cl)cc2)ccc1OC(C)C ZINC000030533710 820634704 /nfs/dbraw/zinc/63/47/04/820634704.db2.gz QWUSTXJVOFIXCA-CRAIPNDOSA-N 1 0 393.911 4.226 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(-c2ccccc2)cc1)c1ccc2c(c1)OCO2 ZINC000030535938 820634820 /nfs/dbraw/zinc/63/48/20/820634820.db2.gz JVYGXPDZJRJDSZ-LAUBAEHRSA-N 1 0 391.467 4.173 20 0 GIADRO COc1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccc(Cl)cc2)cc1Br ZINC000030537356 820635724 /nfs/dbraw/zinc/63/57/24/820635724.db2.gz GPYPESKMYQVDTB-MEDUHNTESA-N 1 0 384.701 4.495 20 0 GIADRO COc1ccc(CC[NH2+]Cc2ccccc2OCc2cccnc2)cc1OC ZINC000030543483 820636497 /nfs/dbraw/zinc/63/64/97/820636497.db2.gz UEOJKGXDOOGNKK-UHFFFAOYSA-N 1 0 378.472 4.010 20 0 GIADRO Cc1cc(C[NH2+]C[C@H](c2ccco2)N(C)C)cc(C)c1OCc1ccccn1 ZINC000030544449 820637123 /nfs/dbraw/zinc/63/71/23/820637123.db2.gz IXFUYMRDLZZLRC-OAQYLSRUSA-N 1 0 379.504 4.263 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(OCc2cccnc2)cc1)c1ccc(-n2cncn2)cc1 ZINC000030545447 820637233 /nfs/dbraw/zinc/63/72/33/820637233.db2.gz VZJLNJCYUVZHAU-GOSISDBHSA-N 1 0 385.471 4.092 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cnn(-c2ccc(F)cc2)c1C ZINC000030567703 820641955 /nfs/dbraw/zinc/64/19/55/820641955.db2.gz YVSPCCYDEOBUHK-UHFFFAOYSA-N 1 0 394.494 4.092 20 0 GIADRO C[N@H+](CCCNC(=O)c1cc(Cl)ccc1Br)Cc1ccccc1 ZINC000030564659 820642270 /nfs/dbraw/zinc/64/22/70/820642270.db2.gz FVHDQEHDUQEFIU-UHFFFAOYSA-N 1 0 395.728 4.354 20 0 GIADRO CC[C@@H](Oc1ccccc1Cl)C(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000177577625 823495281 /nfs/dbraw/zinc/49/52/81/823495281.db2.gz CKJXHBTWCTWSAL-LJQANCHMSA-N 1 0 390.911 4.213 20 0 GIADRO C[NH+](C)C[C@H](CNC(=O)c1coc(C2CCCC2)n1)c1ccc(Cl)cc1 ZINC000573467000 823493352 /nfs/dbraw/zinc/49/33/52/823493352.db2.gz JBWBPECMCIHRQY-INIZCTEOSA-N 1 0 375.900 4.061 20 0 GIADRO CC(C)c1c(C(=O)NC2CC[NH+](C3CC3)CC2)cnn1-c1ccc(Cl)cc1 ZINC000030626864 820652936 /nfs/dbraw/zinc/65/29/36/820652936.db2.gz BCWFALGXXCWOJV-UHFFFAOYSA-N 1 0 386.927 4.006 20 0 GIADRO c1c(C[NH2+]CC2CC2)c(-c2ccc3c(c2)OCCCO3)nn1Cc1ccccc1 ZINC000030662386 820660558 /nfs/dbraw/zinc/66/05/58/820660558.db2.gz XLTSZQODECTWTC-UHFFFAOYSA-N 1 0 389.499 4.259 20 0 GIADRO CC(C)C[C@@H](C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1)N(C)C ZINC000030663801 820661683 /nfs/dbraw/zinc/66/16/83/820661683.db2.gz QRAFNVRZHSZDOM-QFIPXVFZSA-N 1 0 377.536 4.000 20 0 GIADRO CC(C)C[C@@H](C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1)N(C)C ZINC000030663796 820661733 /nfs/dbraw/zinc/66/17/33/820661733.db2.gz JAVOFERESFSZHQ-QHCPKHFHSA-N 1 0 391.563 4.059 20 0 GIADRO CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000059699975 823497318 /nfs/dbraw/zinc/49/73/18/823497318.db2.gz TUMOLHJBTFJFLD-ZWKOTPCHSA-N 1 0 397.437 4.367 20 0 GIADRO C[C@]1(c2ccccc2)CC[C@@H]([NH+]2CCN(CCCOCC(F)(F)F)CC2)C1 ZINC000189803065 823497433 /nfs/dbraw/zinc/49/74/33/823497433.db2.gz OFIDXNXDPUCYJH-UXHICEINSA-N 1 0 384.486 4.083 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)Nc2cccc(OC[C@H]3CCCO3)c2)cc1 ZINC000030835502 820688804 /nfs/dbraw/zinc/68/88/04/820688804.db2.gz ZUBPIKFTYGZFQJ-JOCHJYFZSA-N 1 0 382.504 4.339 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)c2ccc(NC(=O)[C@H]3C[C@H]3C)cc2)c1 ZINC000030878286 820700369 /nfs/dbraw/zinc/70/03/69/820700369.db2.gz XLUOSZIKGDKWAZ-IERDGZPVSA-N 1 0 379.504 4.375 20 0 GIADRO Cc1cccc2nc(C3CC[NH+]([C@@H](C)C(=O)NCc4ccc(F)cc4)CC3)oc21 ZINC000189808494 823498623 /nfs/dbraw/zinc/49/86/23/823498623.db2.gz MWYMTALRUJVFPO-INIZCTEOSA-N 1 0 395.478 4.160 20 0 GIADRO Fc1ccccc1-c1ccc(C[NH2+]Cc2ccnc(N3CCOCC3)c2)s1 ZINC000030900323 820704716 /nfs/dbraw/zinc/70/47/16/820704716.db2.gz OYCVZVCYGQIGOD-UHFFFAOYSA-N 1 0 383.492 4.076 20 0 GIADRO Cc1cc(C[NH2+]Cc2ccnc(-n3cccn3)c2)cc(C)c1OCc1ccccn1 ZINC000030900956 820705265 /nfs/dbraw/zinc/70/52/65/820705265.db2.gz UCZKAVBBTHDZDC-UHFFFAOYSA-N 1 0 399.498 4.148 20 0 GIADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)Cc2ccc(Cl)cc2)[C@H](C)C1 ZINC000410483279 823498718 /nfs/dbraw/zinc/49/87/18/823498718.db2.gz MPZWPDSXXXOEQT-XLIONFOSSA-N 1 0 394.987 4.162 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2scnc2C(F)(F)F)CC1 ZINC000410481265 823498727 /nfs/dbraw/zinc/49/87/27/823498727.db2.gz DWVYLFAKLZSYBI-GFCCVEGCSA-N 1 0 383.439 4.117 20 0 GIADRO COc1ccc(C[NH2+][C@@H]2CCCc3c2cnn3C)cc1OCc1ccccc1 ZINC000030908598 820706819 /nfs/dbraw/zinc/70/68/19/820706819.db2.gz NJLYTMJTXDYQCN-HXUWFJFHSA-N 1 0 377.488 4.175 20 0 GIADRO Cc1c(C[NH2+][C@@H]2CCCN(Cc3ccccc3)C2)sc2nc(C)nc(C)c12 ZINC000030908897 820706863 /nfs/dbraw/zinc/70/68/63/820706863.db2.gz SVBPMVBSMQBWFC-LJQANCHMSA-N 1 0 380.561 4.371 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1cc2cccc(OC)c2o1 ZINC000123348387 823499971 /nfs/dbraw/zinc/49/99/71/823499971.db2.gz SFPCAZYBOMJFCB-UHFFFAOYSA-N 1 0 382.460 4.414 20 0 GIADRO COc1ccccc1NC(=O)C[C@H](C)N[C@@H](c1nccs1)c1ccccc1 ZINC000123348667 823500036 /nfs/dbraw/zinc/50/00/36/823500036.db2.gz YBDMIDLNCSFXLX-MGPUTAFESA-N 1 0 381.501 4.248 20 0 GIADRO COc1ccccc1NC(=O)C[C@@H](C)N[C@H](c1nccs1)c1ccccc1 ZINC000123348432 823500044 /nfs/dbraw/zinc/50/00/44/823500044.db2.gz YBDMIDLNCSFXLX-QRWLVFNGSA-N 1 0 381.501 4.248 20 0 GIADRO CC(C)[N@H+](C)CCCNC(=O)c1cc(NC(=O)CC(C)(C)C)ccc1Cl ZINC000460736945 823500148 /nfs/dbraw/zinc/50/01/48/823500148.db2.gz QIZUGVQUIBOSIS-UHFFFAOYSA-N 1 0 381.948 4.175 20 0 GIADRO O=S(=O)(NCc1ccccc1C[NH+]1CCCC1)c1cccc(Cl)c1Cl ZINC000031075341 820734968 /nfs/dbraw/zinc/73/49/68/820734968.db2.gz VMRWRTAHGXDEPQ-UHFFFAOYSA-N 1 0 399.343 4.068 20 0 GIADRO CC(C)(C)NC(=O)c1ccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000031074476 820735095 /nfs/dbraw/zinc/73/50/95/820735095.db2.gz QNNWWFJGWAFVNG-UHFFFAOYSA-N 1 0 393.531 4.453 20 0 GIADRO O=C(NCC[NH+]1CCCCC1)c1ccccc1CSc1nc2ccccc2[nH]1 ZINC000059984688 823504141 /nfs/dbraw/zinc/50/41/41/823504141.db2.gz DYNHCYGAUQBCBB-UHFFFAOYSA-N 1 0 394.544 4.071 20 0 GIADRO O=C(Nc1cccc(N2CCCC2)c1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000059992176 823504259 /nfs/dbraw/zinc/50/42/59/823504259.db2.gz QIDZEOSBELOWGA-UHFFFAOYSA-N 1 0 378.520 4.073 20 0 GIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)COc2cc(Cl)ccc2Cl)C1 ZINC000059989718 823504342 /nfs/dbraw/zinc/50/43/42/823504342.db2.gz APMGYKQVDKSTJI-YOEHRIQHSA-N 1 0 393.314 4.324 20 0 GIADRO CCOc1ccccc1OCCCC(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000059989804 823504389 /nfs/dbraw/zinc/50/43/89/823504389.db2.gz ZSMKBTKMXNAESN-FPOVZHCZSA-N 1 0 396.531 4.196 20 0 GIADRO COc1ccccc1NC(=O)c1ccc(NC(=O)CC[NH+]2[C@H](C)CC[C@H]2C)cc1 ZINC000123388761 823504384 /nfs/dbraw/zinc/50/43/84/823504384.db2.gz BLDCIJXGIKBQRA-IAGOWNOFSA-N 1 0 395.503 4.149 20 0 GIADRO CN(CCCOc1ccc(F)cc1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000031102789 820742883 /nfs/dbraw/zinc/74/28/83/820742883.db2.gz JUKPLCHKYVFZCJ-UHFFFAOYSA-N 1 0 399.510 4.032 20 0 GIADRO O=C(NCCc1ccc2ccccc2c1)NCc1ccccc1C[NH+]1CCCC1 ZINC000031102803 820743016 /nfs/dbraw/zinc/74/30/16/820743016.db2.gz SMPFRMYNYBWVLU-UHFFFAOYSA-N 1 0 387.527 4.478 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)NCc2ccc(NC(=O)C(C)C)cc2)cc1 ZINC000031116351 820746290 /nfs/dbraw/zinc/74/62/90/820746290.db2.gz VRJMRPXNPIYJSZ-UHFFFAOYSA-N 1 0 381.520 4.053 20 0 GIADRO COc1cc(C[NH2+]CC[C@@](C)(O)c2ccccc2)ccc1OCc1ccncc1 ZINC000189847969 823505515 /nfs/dbraw/zinc/50/55/15/823505515.db2.gz NYBVZHNYLVVQPH-XMMPIXPASA-N 1 0 392.499 4.057 20 0 GIADRO CC[C@@H](NC(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1)c1c(C)noc1C ZINC000123354943 823500755 /nfs/dbraw/zinc/50/07/55/823500755.db2.gz WQQPMOWGINSEPU-LJQANCHMSA-N 1 0 384.524 4.049 20 0 GIADRO O=C(Cc1ccc(Cl)c(Cl)c1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000059885225 823501300 /nfs/dbraw/zinc/50/13/00/823501300.db2.gz XTROJMDHWBOPAJ-UHFFFAOYSA-N 1 0 395.305 4.456 20 0 GIADRO Cc1cc(Oc2ncccn2)ccc1NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000177613987 823501450 /nfs/dbraw/zinc/50/14/50/823501450.db2.gz GODTUZZFBSSRGE-QGZVFWFLSA-N 1 0 380.492 4.170 20 0 GIADRO CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)Nc1ccccc1C[NH+](C)C ZINC000031232583 820774884 /nfs/dbraw/zinc/77/48/84/820774884.db2.gz KAIFRWXUIHZLPX-UHFFFAOYSA-N 1 0 377.492 4.204 20 0 GIADRO Cc1ccc(-c2nc(C)c(C(=O)NC[C@H](c3ccsc3)[NH+](C)C)s2)o1 ZINC000031287085 820786323 /nfs/dbraw/zinc/78/63/23/820786323.db2.gz HIHOUXGQVQDHNN-CQSZACIVSA-N 1 0 375.519 4.114 20 0 GIADRO CCC(CC)n1ncc(C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)c1C ZINC000123369248 823502354 /nfs/dbraw/zinc/50/23/54/823502354.db2.gz RBYMUVBPEGXPKC-GOSISDBHSA-N 1 0 382.552 4.289 20 0 GIADRO O=C(Cc1coc2ccc3ccccc3c12)NCC[N@@H+]1CCc2ccccc2C1 ZINC000031337490 820795400 /nfs/dbraw/zinc/79/54/00/820795400.db2.gz GOMJMGKWFCXKKY-UHFFFAOYSA-N 1 0 384.479 4.303 20 0 GIADRO CCCOc1c(Cl)cc(C(=O)N2CCC([NH+]3CCCCC3)CC2)cc1OC ZINC000059923531 823502955 /nfs/dbraw/zinc/50/29/55/823502955.db2.gz MJLIGKIIHKLUOI-UHFFFAOYSA-N 1 0 394.943 4.228 20 0 GIADRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)CCc2ccoc2)CC1 ZINC000177623925 823503242 /nfs/dbraw/zinc/50/32/42/823503242.db2.gz JGUFYQBMXLRFJG-UHFFFAOYSA-N 1 0 394.437 4.354 20 0 GIADRO Cc1cc(NC(=O)C2CC[NH+](Cc3cc(C)c(C)cc3OC(F)F)CC2)no1 ZINC000123403468 823506041 /nfs/dbraw/zinc/50/60/41/823506041.db2.gz BVDQRUHPFHTTEO-UHFFFAOYSA-N 1 0 393.434 4.052 20 0 GIADRO Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000060092887 823507701 /nfs/dbraw/zinc/50/77/01/823507701.db2.gz BJZXBHMKUCGDAO-INIZCTEOSA-N 1 0 388.943 4.219 20 0 GIADRO C[C@@H](NC(=O)N(Cc1c(F)cccc1F)C1CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000189866609 823508019 /nfs/dbraw/zinc/50/80/19/823508019.db2.gz GUPISOQVKOKHMA-HZPDHXFCSA-N 1 0 391.506 4.292 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1c[nH]nc1-c1ccc(F)cc1 ZINC000031620163 820834857 /nfs/dbraw/zinc/83/48/57/820834857.db2.gz RCMGANSGMQHLPG-UHFFFAOYSA-N 1 0 378.451 4.454 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1ccccc1OC[C@H]1CCCO1 ZINC000031619951 820835073 /nfs/dbraw/zinc/83/50/73/820835073.db2.gz GMSYJOSSJMGWTL-OAQYLSRUSA-N 1 0 394.515 4.483 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1cccc(N2CCCC2=O)c1 ZINC000031620605 820835368 /nfs/dbraw/zinc/83/53/68/820835368.db2.gz ZNDVOLQTEFNTLC-UHFFFAOYSA-N 1 0 377.488 4.052 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000177679042 823512519 /nfs/dbraw/zinc/51/25/19/823512519.db2.gz HLVHTJJTMXQXFZ-RTWAWAEBSA-N 1 0 379.504 4.356 20 0 GIADRO Cc1sc(-c2ccco2)nc1C(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000031765413 820856635 /nfs/dbraw/zinc/85/66/35/820856635.db2.gz TXYYAMNMWFYUSW-UHFFFAOYSA-N 1 0 395.528 4.368 20 0 GIADRO Cc1ccc(Br)cc1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000460778736 823509963 /nfs/dbraw/zinc/50/99/63/823509963.db2.gz SGHVMDQHKAQLOY-UHFFFAOYSA-N 1 0 387.321 4.283 20 0 GIADRO Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000060155973 823510206 /nfs/dbraw/zinc/51/02/06/823510206.db2.gz FXZBMLULSZIFIB-LJQANCHMSA-N 1 0 396.922 4.175 20 0 GIADRO O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)c1ccccc1C(F)(F)F ZINC000060159437 823510264 /nfs/dbraw/zinc/51/02/64/823510264.db2.gz CBAKAUUHNWQGSU-QGZVFWFLSA-N 1 0 376.422 4.490 20 0 GIADRO C[C@@H](C/N=C/c1cc(Br)ccc1O)[N@@H+]1CCc2sccc2C1 ZINC000031854490 820868092 /nfs/dbraw/zinc/86/80/92/820868092.db2.gz KSYJXBBGJSYRCT-NJDFMEINSA-N 1 0 379.323 4.082 20 0 GIADRO N#C/C(=C\c1ccc(OCC[NH+]2CCCC2)cc1)C(=O)Nc1ccc(Cl)cc1 ZINC000031854926 820868121 /nfs/dbraw/zinc/86/81/21/820868121.db2.gz SDCHLGBOHBKKKC-OBGWFSINSA-N 1 0 395.890 4.360 20 0 GIADRO c1coc(C[N@H+](Cc2ccc(OCc3ccccn3)cc2)C[C@@H]2CCCO2)c1 ZINC000060168250 823510986 /nfs/dbraw/zinc/51/09/86/823510986.db2.gz NRZHBLQABZQCOZ-QHCPKHFHSA-N 1 0 378.472 4.435 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Cc1ccc(-n2cccc2)cc1)c1ccsc1 ZINC000031983468 820883602 /nfs/dbraw/zinc/88/36/02/820883602.db2.gz ANRBQONYHZQPAD-NRFANRHFSA-N 1 0 381.545 4.281 20 0 GIADRO COc1ccc2oc(C(=O)NCC3CC[NH+](Cc4cccs4)CC3)c(C)c2c1 ZINC000060240384 823512757 /nfs/dbraw/zinc/51/27/57/823512757.db2.gz NSVKYYARJRZFGZ-UHFFFAOYSA-N 1 0 398.528 4.453 20 0 GIADRO C[C@@H](Oc1cccc(Cl)c1)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000060244134 823513143 /nfs/dbraw/zinc/51/31/43/823513143.db2.gz PVOKFZAEJYXVIH-CVEARBPZSA-N 1 0 392.952 4.197 20 0 GIADRO O=C(NCCSc1ccccc1)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000060244805 823513204 /nfs/dbraw/zinc/51/32/04/823513204.db2.gz ACHXLGNUZGJPCQ-QGZVFWFLSA-N 1 0 389.590 4.052 20 0 GIADRO O=C(CCc1ccc(Cl)cc1Cl)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000032196069 820902267 /nfs/dbraw/zinc/90/22/67/820902267.db2.gz AWHFVFFAZUTIAF-UHFFFAOYSA-N 1 0 399.362 4.077 20 0 GIADRO CCc1ccc(Cl)c(CC)c1NC(=O)CCC[N@H+](CC(C)(C)O)C1CC1 ZINC000189922740 823514292 /nfs/dbraw/zinc/51/42/92/823514292.db2.gz RKLUEVADSGFIRL-UHFFFAOYSA-N 1 0 380.960 4.419 20 0 GIADRO CC[NH+](CC)CCOc1cc(NC(=O)C2(c3cccc(C)c3)CC2)ccc1OC ZINC000060304689 823514686 /nfs/dbraw/zinc/51/46/86/823514686.db2.gz QIOUBEIBXRBUFS-UHFFFAOYSA-N 1 0 396.531 4.395 20 0 GIADRO OCC[C@@H]1CCC[C@@H]1[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000189935423 823515504 /nfs/dbraw/zinc/51/55/04/823515504.db2.gz IRPSUWSOLZDDEO-ICSRJNTNSA-N 1 0 381.545 4.301 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)CCOc3ccc(C)cc3C)c(C)c2)CC1 ZINC000032410933 820936903 /nfs/dbraw/zinc/93/69/03/820936903.db2.gz YEIMOCDCPITMSR-UHFFFAOYSA-N 1 0 395.547 4.161 20 0 GIADRO C[C@H](CCCOc1ccccc1C(N)=O)[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000123512120 823516103 /nfs/dbraw/zinc/51/61/03/823516103.db2.gz OHAXYCZUABXPMU-GOSISDBHSA-N 1 0 389.499 4.185 20 0 GIADRO CC[C@@H](CNC(=O)c1ccc(Br)s1)[N@@H+]1CCc2ccccc2C1 ZINC000032446089 820945761 /nfs/dbraw/zinc/94/57/61/820945761.db2.gz NALOCNZXNRQGCJ-HNNXBMFYSA-N 1 0 393.350 4.077 20 0 GIADRO CC[C@H](CNC(=O)c1cc(-c2csc(C)n2)c[nH]1)[N@@H+]1CCc2ccccc2C1 ZINC000032446832 820945796 /nfs/dbraw/zinc/94/57/96/820945796.db2.gz HXUAWQUTIBPQPD-LJQANCHMSA-N 1 0 394.544 4.013 20 0 GIADRO Cc1c(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cnn1-c1cccc(C)c1 ZINC000032464514 820950125 /nfs/dbraw/zinc/95/01/25/820950125.db2.gz VNHMMXMUBXEONJ-UHFFFAOYSA-N 1 0 388.515 4.015 20 0 GIADRO CC[C@@](C)([NH2+]CCC(=O)Nc1cccc(Br)c1)c1nccs1 ZINC000411396680 823569937 /nfs/dbraw/zinc/56/99/37/823569937.db2.gz XMVXCAMKPYCPPF-MRXNPFEDSA-N 1 0 382.327 4.149 20 0 GIADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)C2(Cc3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC000189951951 823517136 /nfs/dbraw/zinc/51/71/36/823517136.db2.gz KHWHZFSLBFBJSL-KRWDZBQOSA-N 1 0 398.469 4.098 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000177725044 823517204 /nfs/dbraw/zinc/51/72/04/823517204.db2.gz YKULNWGTMAFYGF-MSOLQXFVSA-N 1 0 385.508 4.209 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)Nc2cc(F)c(F)cc2NC(C)=O)cc1 ZINC000060351869 823518446 /nfs/dbraw/zinc/51/84/46/823518446.db2.gz ALJPNUUMGGTIRB-UHFFFAOYSA-N 1 0 375.419 4.017 20 0 GIADRO Cc1ccc([C@H](CNC(=O)c2ccc(Oc3cccnc3)cc2)[NH+]2CCCC2)o1 ZINC000060354858 823518738 /nfs/dbraw/zinc/51/87/38/823518738.db2.gz UCRFQVTUDIBKAA-NRFANRHFSA-N 1 0 391.471 4.342 20 0 GIADRO Cc1cc(C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)c(C)n1-c1ccc(F)cc1 ZINC000060395537 823523615 /nfs/dbraw/zinc/52/36/15/823523615.db2.gz ZEQWKRPWJXGFGM-UHFFFAOYSA-N 1 0 385.527 4.426 20 0 GIADRO COc1cccc([C@@H](CNC(=O)[C@@H]2CCSc3ccccc32)[NH+]2CCCC2)c1 ZINC000460811701 823519372 /nfs/dbraw/zinc/51/93/72/823519372.db2.gz MAVZQKDFILWTFG-NHCUHLMSSA-N 1 0 396.556 4.228 20 0 GIADRO Cc1nc(C)c(C[NH2+]C2CCN(Cc3coc(-c4ccccc4)n3)CC2)s1 ZINC000123549596 823520208 /nfs/dbraw/zinc/52/02/08/823520208.db2.gz FWWXYIQSTRQAPD-UHFFFAOYSA-N 1 0 382.533 4.169 20 0 GIADRO CCc1ccc([C@@H](CNC(=O)Cc2csc(-c3cccs3)n2)[NH+](C)C)cc1 ZINC000032733839 821000139 /nfs/dbraw/zinc/00/01/39/821000139.db2.gz UMFLEYDYHGXQCA-GOSISDBHSA-N 1 0 399.585 4.396 20 0 GIADRO CCc1ccc([C@H](CNC(=O)c2cc(F)ccc2Br)[NH+](C)C)cc1 ZINC000032733623 821000305 /nfs/dbraw/zinc/00/03/05/821000305.db2.gz GATNBHMXAOOGPK-SFHVURJKSA-N 1 0 393.300 4.183 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000032761825 821004604 /nfs/dbraw/zinc/00/46/04/821004604.db2.gz VHIMFSNZEJMHGK-LJQANCHMSA-N 1 0 394.544 4.118 20 0 GIADRO O=C(Cc1ccc(C(F)(F)F)cc1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000032762205 821004663 /nfs/dbraw/zinc/00/46/63/821004663.db2.gz NYASIXQMOYMIPS-MRXNPFEDSA-N 1 0 382.451 4.263 20 0 GIADRO O=C(/C=C/c1ccc(Br)o1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000032763376 821005501 /nfs/dbraw/zinc/00/55/01/821005501.db2.gz QMLUUVVFXNTRJJ-OWNNVSBGSA-N 1 0 395.322 4.070 20 0 GIADRO COCc1cc([C@@H](C)[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)ccc1OC ZINC000177755378 823521231 /nfs/dbraw/zinc/52/12/31/823521231.db2.gz YSQUUXQQPUMQNR-HZPDHXFCSA-N 1 0 384.476 4.210 20 0 GIADRO C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000032896944 821018029 /nfs/dbraw/zinc/01/80/29/821018029.db2.gz JNVFLVLUYVQZLE-GOSISDBHSA-N 1 0 395.547 4.142 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1cc(Cl)c(Cl)n1C)c1cccc(OC)c1 ZINC000032949671 821022064 /nfs/dbraw/zinc/02/20/64/821022064.db2.gz DKMMZLLEDOKDHK-QGZVFWFLSA-N 1 0 398.334 4.153 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)CC1 ZINC000060404396 823523986 /nfs/dbraw/zinc/52/39/86/823523986.db2.gz KXEQCTMEYNJDTC-UHFFFAOYSA-N 1 0 385.556 4.082 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C2SCCCS2)cc1 ZINC000177774344 823524006 /nfs/dbraw/zinc/52/40/06/823524006.db2.gz NLNAYSXAIFQJHR-MSOLQXFVSA-N 1 0 376.591 4.254 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)c2cc(Cl)c(OCC(C)C)c(OC)c2)CC1 ZINC000060404216 823524040 /nfs/dbraw/zinc/52/40/40/823524040.db2.gz VQFPGMJQPUCTOA-UHFFFAOYSA-N 1 0 396.959 4.330 20 0 GIADRO Cc1nc2cc(C(=O)NCc3cccc(C[NH+](C)C)c3)ccc2n1-c1ccccc1 ZINC000033084881 821032108 /nfs/dbraw/zinc/03/21/08/821032108.db2.gz KTRMHZFWECESHT-UHFFFAOYSA-N 1 0 398.510 4.326 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)c2cc(Cl)c(OCC)c(OC)c2)CC1 ZINC000123574341 823522962 /nfs/dbraw/zinc/52/29/62/823522962.db2.gz QGBKSMRNEKXMTQ-UHFFFAOYSA-N 1 0 396.959 4.331 20 0 GIADRO C[N@@H+]1CCN(CCCNC(=O)c2cc3ccccc3s2)[C@@H](c2ccccc2)C1 ZINC000033135598 821037256 /nfs/dbraw/zinc/03/72/56/821037256.db2.gz GUZWUHYTJRCKDK-HXUWFJFHSA-N 1 0 393.556 4.010 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)[C@H](C)c1nc2ccccc2s1 ZINC000177774336 823524091 /nfs/dbraw/zinc/52/40/91/823524091.db2.gz HLELXBHGOAPJFS-JKSUJKDBSA-N 1 0 377.517 4.218 20 0 GIADRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NCCc2ccc(Cl)nc2)c1 ZINC000177800275 823527473 /nfs/dbraw/zinc/52/74/73/823527473.db2.gz KCONTTDYZJMLJP-UHFFFAOYSA-N 1 0 393.918 4.340 20 0 GIADRO CC[C@H](NC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1)c1c(C)noc1C ZINC000123630567 823527585 /nfs/dbraw/zinc/52/75/85/823527585.db2.gz MUWVCCQRQVHTMB-NRFANRHFSA-N 1 0 398.551 4.474 20 0 GIADRO COc1ccc(/C=C/C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)cc1 ZINC000060441133 823527992 /nfs/dbraw/zinc/52/79/92/823527992.db2.gz FWLCJBVBUYTUJX-FMIVXFBMSA-N 1 0 378.516 4.257 20 0 GIADRO COc1ccc2[nH]cc(C3=CC[N@H+](C[C@H]4COc5ccccc5O4)CC3)c2c1 ZINC000034228854 821061697 /nfs/dbraw/zinc/06/16/97/821061697.db2.gz YTMFSCPZDRAIJH-SFHVURJKSA-N 1 0 376.456 4.106 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1ccccc1Br)c1ccc(Cl)cc1 ZINC000036090550 821068448 /nfs/dbraw/zinc/06/84/48/821068448.db2.gz VTJQBPUUVORSMI-INIZCTEOSA-N 1 0 381.701 4.135 20 0 GIADRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(COc2ccc(F)cc2)o1 ZINC000036697692 821076866 /nfs/dbraw/zinc/07/68/66/821076866.db2.gz XYRVFVDNILQKSR-LJQANCHMSA-N 1 0 394.446 4.002 20 0 GIADRO CCCOc1c(Cl)cc(C(=O)N(C)C2CC[NH+](CCC)CC2)cc1OCC ZINC000060404689 823524329 /nfs/dbraw/zinc/52/43/29/823524329.db2.gz GPZKETVUNWWQHF-UHFFFAOYSA-N 1 0 396.959 4.474 20 0 GIADRO COc1ccc2oc([C@@H](C)[NH2+]CC(=O)Nc3cc(C)ccc3OC)c(C)c2c1 ZINC000177815285 823529629 /nfs/dbraw/zinc/52/96/29/823529629.db2.gz PQDUHHBAWLVXDH-OAHLLOKOSA-N 1 0 382.460 4.356 20 0 GIADRO O=C(c1ccc2noc(-c3ccc(F)cc3)c2c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000123601153 823525057 /nfs/dbraw/zinc/52/50/57/823525057.db2.gz ICOICLBRZQCACL-INIZCTEOSA-N 1 0 393.462 4.192 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc2c(c1)OCO2)c1ccc(I)cc1 ZINC000037283456 821091449 /nfs/dbraw/zinc/09/14/49/821091449.db2.gz APFVVOGEZDDNLX-VXGBXAGGSA-N 1 0 395.240 4.432 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1csc(-c2ccc(OC(C)C)cc2)n1 ZINC000177814505 823529655 /nfs/dbraw/zinc/52/96/55/823529655.db2.gz ZNRGXCCXLSYKQS-MSOLQXFVSA-N 1 0 399.560 4.296 20 0 GIADRO O=C(NC1CC1)[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000038372077 821096124 /nfs/dbraw/zinc/09/61/24/821096124.db2.gz XQGOYBFIVMQHMP-LAUBAEHRSA-N 1 0 391.540 4.496 20 0 GIADRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)c1cccc(C(F)(F)F)c1 ZINC000038583366 821097958 /nfs/dbraw/zinc/09/79/58/821097958.db2.gz MOPAAGIMEPCGCY-UHFFFAOYSA-N 1 0 376.422 4.347 20 0 GIADRO Cc1nc([C@H]2CCCN2C(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)cs1 ZINC000190017083 823526271 /nfs/dbraw/zinc/52/62/71/823526271.db2.gz QIXKYTKZFAGKST-FXAWDEMLSA-N 1 0 387.524 4.166 20 0 GIADRO COc1ccc(NC(=S)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)cc1 ZINC000060431327 823526808 /nfs/dbraw/zinc/52/68/08/823526808.db2.gz WSPBIPABXREEAG-OAQYLSRUSA-N 1 0 383.561 4.455 20 0 GIADRO COC(=O)C[C@](C)([NH2+]C[C@@H](C)c1cccc(Br)c1)c1ccncc1 ZINC000190022238 823527034 /nfs/dbraw/zinc/52/70/34/823527034.db2.gz QVOQHSYNIMWIOO-KUHUBIRLSA-N 1 0 391.309 4.016 20 0 GIADRO CC[C@H](NC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)c1nccs1 ZINC000123679350 823531066 /nfs/dbraw/zinc/53/10/66/823531066.db2.gz ITYKNSFLSYKFES-LPHOPBHVSA-N 1 0 386.565 4.468 20 0 GIADRO CCCOc1ccc([C@@H](C)[NH2+]C2CCN(CC(=O)Nc3ccccc3)CC2)cc1 ZINC000177821845 823531061 /nfs/dbraw/zinc/53/10/61/823531061.db2.gz LSWIRCJPBCAXGI-LJQANCHMSA-N 1 0 395.547 4.229 20 0 GIADRO O=C(CN1CCC([NH2+][C@@H]2CCSc3c(F)cccc32)CC1)Nc1ccccc1 ZINC000177821555 823531077 /nfs/dbraw/zinc/53/10/77/823531077.db2.gz TXETZEHCAVEKMB-HXUWFJFHSA-N 1 0 399.535 4.055 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)N[C@H](C)CCc3ccccc3)c(C)c2)CC1 ZINC000040103858 821136781 /nfs/dbraw/zinc/13/67/81/821136781.db2.gz TWFZJVZAJIIIFK-HXUWFJFHSA-N 1 0 394.563 4.280 20 0 GIADRO Cc1ncccc1C(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000411025859 823535510 /nfs/dbraw/zinc/53/55/10/823535510.db2.gz WKMQRYSQLVQQAZ-QFIPXVFZSA-N 1 0 377.532 4.153 20 0 GIADRO COCCC[NH+]1CCC(NC(=O)C[C@@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000460865365 823532032 /nfs/dbraw/zinc/53/20/32/823532032.db2.gz SRCRIYRBBOINIM-HSZRJFAPSA-N 1 0 394.559 4.020 20 0 GIADRO COc1ccc(C2([NH2+]CCC(=O)Nc3ccccc3Br)CC2)cc1 ZINC000411465845 823578084 /nfs/dbraw/zinc/57/80/84/823578084.db2.gz YCURMTCSDAFSOO-UHFFFAOYSA-N 1 0 389.293 4.065 20 0 GIADRO O=C(Nc1ccccc1)c1cccc(CN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000040416091 821159211 /nfs/dbraw/zinc/15/92/11/821159211.db2.gz LSFHQQLZWHZHRX-UHFFFAOYSA-N 1 0 385.511 4.257 20 0 GIADRO COc1ccc(CCCCC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000040653906 821163174 /nfs/dbraw/zinc/16/31/74/821163174.db2.gz KTVAONPIQQKJPK-HSZRJFAPSA-N 1 0 380.532 4.361 20 0 GIADRO CCOC(C[N@@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1)OCC ZINC000123715792 823534361 /nfs/dbraw/zinc/53/43/61/823534361.db2.gz JFHUAEGEBMOTAG-QHCPKHFHSA-N 1 0 385.504 4.050 20 0 GIADRO CC(C)[N@H+](C)CCCNC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 ZINC000041318991 821183226 /nfs/dbraw/zinc/18/32/26/821183226.db2.gz MZYKVVTYBATREV-UHFFFAOYSA-N 1 0 393.940 4.114 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1nc(C(C)C)ncc1Cl)c1ccsc1 ZINC000123719094 823534667 /nfs/dbraw/zinc/53/46/67/823534667.db2.gz BUGYAUDLEVNXNU-OAHLLOKOSA-N 1 0 380.945 4.128 20 0 GIADRO COCCC[C@@H]([NH2+]Cc1cccc(CO)c1)c1ccc(Br)cc1 ZINC000177840562 823534741 /nfs/dbraw/zinc/53/47/41/823534741.db2.gz GRDYXNYCCCKUSE-LJQANCHMSA-N 1 0 378.310 4.199 20 0 GIADRO Cc1ccc(C(=O)C(C(=S)Nc2ccccc2)[n+]2ccc(N(C)C)cc2)cc1 ZINC000041466087 821194638 /nfs/dbraw/zinc/19/46/38/821194638.db2.gz QYBXNDNRZIPGED-UHFFFAOYSA-O 1 0 390.532 4.399 20 0 GIADRO CCCc1noc2nc(C3CC3)cc(C(=O)NCCC[NH+]3CCCCCC3)c12 ZINC000060501773 823535296 /nfs/dbraw/zinc/53/52/96/823535296.db2.gz HNUADEHVXDQXBW-UHFFFAOYSA-N 1 0 384.524 4.049 20 0 GIADRO CCS[C@H]1CCCC[C@H]1[NH2+]Cc1csc(-c2ccc(C(N)=O)cc2)n1 ZINC000190047863 823530302 /nfs/dbraw/zinc/53/03/02/823530302.db2.gz WLXOWVAVGLRJFJ-SJORKVTESA-N 1 0 375.563 4.063 20 0 GIADRO C[N@@H+]1CC[C@@H](CNC(=O)Cc2ccccc2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123736867 823536131 /nfs/dbraw/zinc/53/61/31/823536131.db2.gz KKIJVQNYKXMKLY-YWZLYKJASA-N 1 0 395.305 4.484 20 0 GIADRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc3cc[nH]c3c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123742630 823536472 /nfs/dbraw/zinc/53/64/72/823536472.db2.gz XOFFKUCMDFZAGE-JXFKEZNVSA-N 1 0 385.870 4.383 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)CCc3nc(-c4ccco4)no3)cc2)C1 ZINC000060547844 823540825 /nfs/dbraw/zinc/54/08/25/823540825.db2.gz UNPYBVFKHBUQGV-MRXNPFEDSA-N 1 0 394.475 4.133 20 0 GIADRO C[NH+]1CCN(Cc2ccc(NC(=O)c3sccc3-c3ccccc3)cc2)CC1 ZINC000060547402 823540867 /nfs/dbraw/zinc/54/08/67/823540867.db2.gz WHDUELYVKRTARR-UHFFFAOYSA-N 1 0 391.540 4.415 20 0 GIADRO C[C@@H]([NH2+]CCc1ccccn1)c1ccc(Br)cc1Br ZINC000041640943 821215142 /nfs/dbraw/zinc/21/51/42/821215142.db2.gz RERILXFVOFINSN-LLVKDONJSA-N 1 0 384.115 4.500 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)C(c2ccccc2)c2ccccc2)C1 ZINC000177856779 823537125 /nfs/dbraw/zinc/53/71/25/823537125.db2.gz VXMSKBJQPLSWBH-PMACEKPBSA-N 1 0 379.548 4.190 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)CSCc1cccnc1)c1ccccc1Cl ZINC000041774842 821228234 /nfs/dbraw/zinc/22/82/34/821228234.db2.gz OIMAIUOTAYRHAT-LJQANCHMSA-N 1 0 391.968 4.168 20 0 GIADRO C[N@@H+]1CC[C@H](CNC(=O)CC2CCSCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123758899 823538041 /nfs/dbraw/zinc/53/80/41/823538041.db2.gz IKSUYSBODWACQF-BEFAXECRSA-N 1 0 384.948 4.121 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2c(F)c(F)cc(F)c2F)CC1 ZINC000177863841 823538127 /nfs/dbraw/zinc/53/81/27/823538127.db2.gz UDHJKBZNSZISQL-LBPRGKRZSA-N 1 0 380.385 4.198 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccccc1N(C)C(=O)c1cccs1 ZINC000041822730 821234065 /nfs/dbraw/zinc/23/40/65/821234065.db2.gz ZBXAHDUFLJRKDM-KRWDZBQOSA-N 1 0 399.560 4.019 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cccc(C[S@@](C)=O)c3)cc2)C1 ZINC000060548230 823541123 /nfs/dbraw/zinc/54/11/23/823541123.db2.gz CVECSELHJJPAOJ-CRYYWNKWSA-N 1 0 384.545 4.049 20 0 GIADRO Cc1ccc([C@H]([NH2+]CCc2ccccc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000123766205 823538837 /nfs/dbraw/zinc/53/88/37/823538837.db2.gz BROGYARJVHRCDM-QHCPKHFHSA-N 1 0 379.525 4.320 20 0 GIADRO COc1cccc([C@H](CNC(=O)c2c(C)[nH]c3ccccc32)[NH+]2CCCC2)c1 ZINC000041946471 821248296 /nfs/dbraw/zinc/24/82/96/821248296.db2.gz LQNQHRSBZJRODI-NRFANRHFSA-N 1 0 377.488 4.052 20 0 GIADRO CCC[NH+]1CCC(CNC(=O)C2(c3cccc(C(F)(F)F)c3)CCC2)CC1 ZINC000460903734 823539086 /nfs/dbraw/zinc/53/90/86/823539086.db2.gz GEZRWDPZRRZXED-UHFFFAOYSA-N 1 0 382.470 4.365 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]CC(=O)NCc1ccccc1 ZINC000177873371 823539321 /nfs/dbraw/zinc/53/93/21/823539321.db2.gz MMHIJBXUPOUTKW-AWEZNQCLSA-N 1 0 383.492 4.225 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)N1CCc2ccc(F)cc21 ZINC000060534933 823539325 /nfs/dbraw/zinc/53/93/25/823539325.db2.gz DVLKKNWRCKAFSX-UHFFFAOYSA-N 1 0 387.886 4.216 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(COCc2ccccc2)cc1 ZINC000177872776 823539337 /nfs/dbraw/zinc/53/93/37/823539337.db2.gz ZHURRJRQAVZODR-PKTZIBPZSA-N 1 0 393.531 4.494 20 0 GIADRO CCOc1cccc2cc([C@H](C)NC(=O)N3CCC[N@@H+](C(C)(C)C)CC3)oc21 ZINC000060534748 823539376 /nfs/dbraw/zinc/53/93/76/823539376.db2.gz LMLCDZRHZDYBMP-INIZCTEOSA-N 1 0 387.524 4.408 20 0 GIADRO CCOc1ccccc1[C@H](CC(C)C)NC(=O)N1CC[C@@H](C[N@H+](C)CC)C1 ZINC000177885948 823541226 /nfs/dbraw/zinc/54/12/26/823541226.db2.gz WSEKDMXXFYYGSW-ICSRJNTNSA-N 1 0 375.557 4.156 20 0 GIADRO C[C@H](NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000060536667 823539510 /nfs/dbraw/zinc/53/95/10/823539510.db2.gz VKMQQDKBTFSWCG-AWEZNQCLSA-N 1 0 387.446 4.162 20 0 GIADRO CCCCNC(=O)c1ccc(C[NH2+][C@H](C)CC(=O)Nc2ccccc2C)cc1 ZINC000177876514 823539948 /nfs/dbraw/zinc/53/99/48/823539948.db2.gz FXABQLGOVCVLDT-GOSISDBHSA-N 1 0 381.520 4.032 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(Br)ccc1C)c1ccco1 ZINC000460907913 823539965 /nfs/dbraw/zinc/53/99/65/823539965.db2.gz FTRVBGJZJJVELV-INIZCTEOSA-N 1 0 379.298 4.163 20 0 GIADRO Cc1nc(Cl)sc1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000177877955 823540226 /nfs/dbraw/zinc/54/02/26/823540226.db2.gz ANCPREZAEIHIJW-CZUORRHYSA-N 1 0 377.941 4.230 20 0 GIADRO COc1cccc(CN(CC[NH+](C)C)C(=O)Nc2c(F)cc(Cl)cc2F)c1 ZINC000190124492 823540459 /nfs/dbraw/zinc/54/04/59/823540459.db2.gz YVZNLQBVGVJLPA-UHFFFAOYSA-N 1 0 397.853 4.223 20 0 GIADRO COc1ccccc1C[C@@H]1CCCN1C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000060546244 823540554 /nfs/dbraw/zinc/54/05/54/823540554.db2.gz QOPPGENRXZKSOG-FPOVZHCZSA-N 1 0 387.568 4.066 20 0 GIADRO CCCCNC(=O)C1CC[NH+](Cc2cc(-c3ccc(Cl)cc3)no2)CC1 ZINC000042133862 821273129 /nfs/dbraw/zinc/27/31/29/821273129.db2.gz VAINHVBBDKSKQO-UHFFFAOYSA-N 1 0 375.900 4.123 20 0 GIADRO CCn1c2ccccc2c2cc(C[NH2+]C3CCN(C(=O)C4CC4)CC3)ccc21 ZINC000042209422 821285083 /nfs/dbraw/zinc/28/50/83/821285083.db2.gz VEWSOGOFXAXTKH-UHFFFAOYSA-N 1 0 375.516 4.305 20 0 GIADRO CN(C)c1ccc(C[NH2+]Cc2ccc(-c3ccc(Br)cc3)o2)cn1 ZINC000042227614 821287913 /nfs/dbraw/zinc/28/79/13/821287913.db2.gz XPQPOHQDAASWER-UHFFFAOYSA-N 1 0 386.293 4.460 20 0 GIADRO COc1cc(C[NH2+]CCc2nc(C)cs2)cc(OC)c1OCc1ccccc1 ZINC000042228611 821288286 /nfs/dbraw/zinc/28/82/86/821288286.db2.gz FLACZUXDQRJBSD-UHFFFAOYSA-N 1 0 398.528 4.380 20 0 GIADRO Cc1csc(CC[NH2+]Cc2c(C)nn(Cc3ccc(F)cc3)c2Cl)n1 ZINC000042228555 821288371 /nfs/dbraw/zinc/28/83/71/821288371.db2.gz PCWABPHODUYDRZ-UHFFFAOYSA-N 1 0 378.904 4.130 20 0 GIADRO COc1ccc(C[N@H+](C)CCCc2nc(-c3ccc(C)c(F)c3)no2)cc1OC ZINC000042328951 821301241 /nfs/dbraw/zinc/30/12/41/821301241.db2.gz KIYUNOBXYKBLLS-UHFFFAOYSA-N 1 0 399.466 4.266 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)N[C@@H](C)c1nc2ccccc2[nH]1)c1ccsc1 ZINC000042346035 821302515 /nfs/dbraw/zinc/30/25/15/821302515.db2.gz JSYYCDVRNWIOPO-KSSFIOAISA-N 1 0 385.537 4.068 20 0 GIADRO COc1cccc([C@@H](CNC(=O)CCCc2nc3ccccc3s2)[NH+](C)C)c1 ZINC000042674235 821323916 /nfs/dbraw/zinc/32/39/16/821323916.db2.gz OCSCHJWDHZUCNP-LJQANCHMSA-N 1 0 397.544 4.047 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1cc(-c2ccccc2)on1 ZINC000042699724 821325494 /nfs/dbraw/zinc/32/54/94/821325494.db2.gz BZASKWXCAYPOEU-UHFFFAOYSA-N 1 0 379.460 4.315 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)CSCc2cn3cc(C)ccc3n2)c1 ZINC000042724342 821327426 /nfs/dbraw/zinc/32/74/26/821327426.db2.gz YVAYXXVAQJWDRF-UHFFFAOYSA-N 1 0 396.560 4.356 20 0 GIADRO CC(C)(C)n1nc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1C1CC1 ZINC000042765400 821332185 /nfs/dbraw/zinc/33/21/85/821332185.db2.gz IPXIPLNSQYIWCV-NRFANRHFSA-N 1 0 380.536 4.082 20 0 GIADRO CC(C)[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccccc1)c1nc2ccccc2[nH]1 ZINC000043106528 821361994 /nfs/dbraw/zinc/36/19/94/821361994.db2.gz YEWKVOHGDPNICN-OAQYLSRUSA-N 1 0 393.535 4.033 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccccc1SCc1cscn1 ZINC000043118099 821363609 /nfs/dbraw/zinc/36/36/09/821363609.db2.gz ZYMHSKSAPWRSJN-INIZCTEOSA-N 1 0 389.590 4.430 20 0 GIADRO C[C@@H](c1nc2ccccc2s1)N(C)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000043144320 821367262 /nfs/dbraw/zinc/36/72/62/821367262.db2.gz YRODXDRZMTYNOT-DZGCQCFKSA-N 1 0 388.562 4.363 20 0 GIADRO CCN(C(=O)NC[C@H](c1cccs1)[NH+](C)C)[C@H](C)c1cccc(OC)c1 ZINC000043144195 821367348 /nfs/dbraw/zinc/36/73/48/821367348.db2.gz CVEHKRAKFJVWHY-CRAIPNDOSA-N 1 0 375.538 4.152 20 0 GIADRO C[C@H](c1nc2ccccc2s1)N(C)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000043144318 821367471 /nfs/dbraw/zinc/36/74/71/821367471.db2.gz YRODXDRZMTYNOT-HIFRSBDPSA-N 1 0 388.562 4.363 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@H]2CCSc3ccccc32)CC1 ZINC000043166500 821371438 /nfs/dbraw/zinc/37/14/38/821371438.db2.gz SWLBIDSIGUWBKI-NRFANRHFSA-N 1 0 395.572 4.496 20 0 GIADRO CN(Cc1csc2ccccc12)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000043167773 821372370 /nfs/dbraw/zinc/37/23/70/821372370.db2.gz VECRCNSPNJIYJX-GOSISDBHSA-N 1 0 383.517 4.473 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N1CCCCC[C@H]1c1ccncc1 ZINC000043167299 821372483 /nfs/dbraw/zinc/37/24/83/821372483.db2.gz YIKVGRRCXYWQAM-PMACEKPBSA-N 1 0 382.508 4.138 20 0 GIADRO CCC(CC)[C@H]1C[C@@H](NC(=O)NCc2ccccc2C[N@H+](C)C(C)C)CCO1 ZINC000180631122 821375677 /nfs/dbraw/zinc/37/56/77/821375677.db2.gz SMOVABGXQXXTGO-FCHUYYIVSA-N 1 0 389.584 4.310 20 0 GIADRO C[C@@H](NC(=O)N1CCC([NH+]2CCCCC2)CC1)c1ccc(Br)cc1 ZINC000043186851 821376048 /nfs/dbraw/zinc/37/60/48/821376048.db2.gz AFVXURKDHVOFHN-OAHLLOKOSA-N 1 0 394.357 4.170 20 0 GIADRO CC[C@@H]([NH2+][C@H](C)c1nc(=O)c2c(C)c(C)sc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000180633738 821376366 /nfs/dbraw/zinc/37/63/66/821376366.db2.gz LYLJPWCJHIYERX-IUODEOHRSA-N 1 0 399.516 4.175 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)c1nc2ccccc2[nH]1)c1ccccc1 ZINC000043230912 821377627 /nfs/dbraw/zinc/37/76/27/821377627.db2.gz HNEUNJZOVQRVGN-OXJNMPFZSA-N 1 0 379.508 4.006 20 0 GIADRO COc1cccc([C@@H]2CCCN2C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000043231123 821377763 /nfs/dbraw/zinc/37/77/63/821377763.db2.gz HVCZRTOAAKJQLI-PMACEKPBSA-N 1 0 399.560 4.440 20 0 GIADRO CCOc1cc(NC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)ccc1OC ZINC000043231284 821377843 /nfs/dbraw/zinc/37/78/43/821377843.db2.gz UUHKUGFDRJEBIV-MRXNPFEDSA-N 1 0 389.521 4.114 20 0 GIADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N1CCC[C@@H]1c1ccsc1 ZINC000043231553 821378271 /nfs/dbraw/zinc/37/82/71/821378271.db2.gz NKVXVEBEGLLINH-SJORKVTESA-N 1 0 375.563 4.493 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)Nc1ccc(F)c(F)c1F)[NH+]1CCCC1 ZINC000043233738 821378709 /nfs/dbraw/zinc/37/87/09/821378709.db2.gz HZHWXSFQVBIENO-INIZCTEOSA-N 1 0 393.409 4.071 20 0 GIADRO COc1ccc([C@H](CNC(=O)Nc2ccc(F)c(F)c2F)[NH+]2CCCC2)cc1 ZINC000043233877 821378913 /nfs/dbraw/zinc/37/89/13/821378913.db2.gz RIFIZJSQSKUBTD-KRWDZBQOSA-N 1 0 393.409 4.071 20 0 GIADRO CCN(C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H](C)c1cccc(OC)c1 ZINC000043239263 821379599 /nfs/dbraw/zinc/37/95/99/821379599.db2.gz WPXMXEQYXOIZKG-RXVVDRJESA-N 1 0 381.520 4.062 20 0 GIADRO CCN(C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H](C)c1cccc(OC)c1 ZINC000043239266 821379637 /nfs/dbraw/zinc/37/96/37/821379637.db2.gz WPXMXEQYXOIZKG-NQIIRXRSSA-N 1 0 381.520 4.062 20 0 GIADRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N(Cc1ccco1)Cc1ccccc1 ZINC000043240107 821380420 /nfs/dbraw/zinc/38/04/20/821380420.db2.gz SIEXFJMWOSYDER-JOCHJYFZSA-N 1 0 389.499 4.266 20 0 GIADRO COc1cccc([C@@H](O)C[N@H+](Cc2ccccc2)Cc2cccc3nccn32)c1 ZINC000180649198 821382173 /nfs/dbraw/zinc/38/21/73/821382173.db2.gz AKEZENLQJSGIMV-QHCPKHFHSA-N 1 0 387.483 4.079 20 0 GIADRO Cn1cc(C[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccco2)c(-c2ccccc2)n1 ZINC000180650378 821382637 /nfs/dbraw/zinc/38/26/37/821382637.db2.gz XJOWNFIWAVBEAR-JOCHJYFZSA-N 1 0 387.483 4.416 20 0 GIADRO Cn1ccnc1[C@@H](O)[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3Cl)o2)C1 ZINC000180653769 821383768 /nfs/dbraw/zinc/38/37/68/821383768.db2.gz ICLRIGZJRPEQPA-YWZLYKJASA-N 1 0 385.895 4.279 20 0 GIADRO COc1cc(C[N@H+]2CC=C(c3c[nH]c4ccccc43)CC2)cc(OC)c1OC ZINC000180658693 821385815 /nfs/dbraw/zinc/38/58/15/821385815.db2.gz YMMHLGNKAARALE-UHFFFAOYSA-N 1 0 378.472 4.483 20 0 GIADRO CC[NH+]1CCC(NC(=O)N(CCc2ccccc2)Cc2ccc(C)s2)CC1 ZINC000043293181 821387884 /nfs/dbraw/zinc/38/78/84/821387884.db2.gz KVRXPUPNBJHKLT-UHFFFAOYSA-N 1 0 385.577 4.295 20 0 GIADRO CC[C@@H](CSC)[N@H+](C)Cc1nc(-c2ccc(Br)s2)no1 ZINC000180668248 821388685 /nfs/dbraw/zinc/38/86/85/821388685.db2.gz RBGXJSAGWBTGNK-VIFPVBQESA-N 1 0 376.345 4.134 20 0 GIADRO COc1cccc([C@@H](CNC(=O)N(C)[C@@H]2CCc3ccccc32)[NH+]2CCCC2)c1 ZINC000043306935 821389132 /nfs/dbraw/zinc/38/91/32/821389132.db2.gz AFHQYOINOBRZAE-DHIUTWEWSA-N 1 0 393.531 4.161 20 0 GIADRO CSc1ccccc1NC(=O)NCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000043318277 821391549 /nfs/dbraw/zinc/39/15/49/821391549.db2.gz RAEURPBCSAZQBE-UHFFFAOYSA-N 1 0 398.576 4.051 20 0 GIADRO Cc1cccc(N2CC[NH+](CCCCNC(=O)Nc3ccc(C)cc3F)CC2)c1 ZINC000043324346 821392142 /nfs/dbraw/zinc/39/21/42/821392142.db2.gz YPNCILXXNVJEJS-UHFFFAOYSA-N 1 0 398.526 4.166 20 0 GIADRO C[C@@H]([NH2+]CCOc1ccccc1C(F)(F)F)c1cccc(N2CCOC2=O)c1 ZINC000180678932 821393046 /nfs/dbraw/zinc/39/30/46/821393046.db2.gz IYNUQEAUVCVLLH-CQSZACIVSA-N 1 0 394.393 4.392 20 0 GIADRO Cc1cccc(C)c1NC(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000043357966 821397322 /nfs/dbraw/zinc/39/73/22/821397322.db2.gz AXQNKQNHZQZHQL-KDURUIRLSA-N 1 0 381.520 4.234 20 0 GIADRO COc1ccccc1[C@@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1ccccc1 ZINC000180695316 821399017 /nfs/dbraw/zinc/39/90/17/821399017.db2.gz OMKZNRFUAJOBFY-QHCPKHFHSA-N 1 0 390.483 4.272 20 0 GIADRO Cn1ncc2c1CCC[C@H]2NC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000043390843 821400432 /nfs/dbraw/zinc/40/04/32/821400432.db2.gz NEPFGZWILLBBAA-OAQYLSRUSA-N 1 0 395.551 4.384 20 0 GIADRO COc1cc(C)c(NC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1OC ZINC000043405194 821403016 /nfs/dbraw/zinc/40/30/16/821403016.db2.gz UBCSMUMFICCMJB-MRXNPFEDSA-N 1 0 389.521 4.032 20 0 GIADRO CCOc1ccc(NC(=O)NCc2ccccc2C[NH+]2CCCC2)cc1OCC ZINC000043416882 821405324 /nfs/dbraw/zinc/40/53/24/821405324.db2.gz DYLUNEXLFYYSBW-UHFFFAOYSA-N 1 0 397.519 4.402 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)Nc1ccccc1N1CCCC1 ZINC000043456964 821411107 /nfs/dbraw/zinc/41/11/07/821411107.db2.gz SRDFSGPQGMEKMT-UHFFFAOYSA-N 1 0 378.520 4.204 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@H](c1ccccc1)C(C)C ZINC000043490812 821415919 /nfs/dbraw/zinc/41/59/19/821415919.db2.gz HGJDJYGKTAZYTA-QFIPXVFZSA-N 1 0 380.536 4.266 20 0 GIADRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)CCc2cncc(F)c2)cc1 ZINC000180734222 821423738 /nfs/dbraw/zinc/42/37/38/821423738.db2.gz GTLNEUMTUNXWCO-UHFFFAOYSA-N 1 0 391.490 4.198 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)c1cccs1 ZINC000043549677 821425842 /nfs/dbraw/zinc/42/58/42/821425842.db2.gz JWVWHRHQGIQKKH-HNNXBMFYSA-N 1 0 387.505 4.214 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)N2CCC[C@H]2c2ccccc2)CC1 ZINC000043574707 821429311 /nfs/dbraw/zinc/42/93/11/821429311.db2.gz AKEBUVXNZMITQS-NRFANRHFSA-N 1 0 378.520 4.198 20 0 GIADRO O=C(C1CCC(c2ccccc2)CC1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000180744598 821430374 /nfs/dbraw/zinc/43/03/74/821430374.db2.gz ASBTUPKGOLPGMS-UHFFFAOYSA-N 1 0 398.591 4.311 20 0 GIADRO C[NH+]1CCC(NC(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)CC1 ZINC000043624523 821432141 /nfs/dbraw/zinc/43/21/41/821432141.db2.gz AYQKDAITTNNTFE-UHFFFAOYSA-N 1 0 384.427 4.045 20 0 GIADRO Cc1cc(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)nn1-c1cccc(F)c1 ZINC000180748264 821432433 /nfs/dbraw/zinc/43/24/33/821432433.db2.gz GAZGEMAICBQKOR-UHFFFAOYSA-N 1 0 399.514 4.238 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCC1)Nc1nc(C(F)(F)F)cs1 ZINC000043635119 821433861 /nfs/dbraw/zinc/43/38/61/821433861.db2.gz MBMIOZILTJKGDO-UHFFFAOYSA-N 1 0 384.427 4.079 20 0 GIADRO C[C@H]([NH2+]CCCC(=O)N1Cc2ccccc2C1)c1ccc(Br)s1 ZINC000180750938 821433919 /nfs/dbraw/zinc/43/39/19/821433919.db2.gz VBSSJFIFPSYFDQ-ZDUSSCGKSA-N 1 0 393.350 4.484 20 0 GIADRO CCc1ccc([C@@H]([NH2+]C[C@H]2CCCS2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000180753399 821435493 /nfs/dbraw/zinc/43/54/93/821435493.db2.gz AIKJZSANBGOFBO-TZIWHRDSSA-N 1 0 389.586 4.227 20 0 GIADRO CCc1ccc([C@@H]([NH2+]C[C@@H]2CCCS2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000180753366 821435569 /nfs/dbraw/zinc/43/55/69/821435569.db2.gz AIKJZSANBGOFBO-PZJWPPBQSA-N 1 0 389.586 4.227 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)Nc2ccc(NC(=O)C(C)C)cc2)cc1 ZINC000043674801 821440039 /nfs/dbraw/zinc/44/00/39/821440039.db2.gz TYFKDKADGPLOBU-UHFFFAOYSA-N 1 0 396.535 4.445 20 0 GIADRO CC(C)(C)OC(=O)NC1CCC([NH2+]C[C@@H](O)c2cc3ccccc3s2)CC1 ZINC000180761964 821440619 /nfs/dbraw/zinc/44/06/19/821440619.db2.gz IRULTBYEEKMDAR-OFLPRAFFSA-N 1 0 390.549 4.360 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1cccc(OCc2ccccc2)c1 ZINC000180766904 821443227 /nfs/dbraw/zinc/44/32/27/821443227.db2.gz QFYJCYTUEQCMPP-DNVCBOLYSA-N 1 0 392.421 4.079 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1=O)c1ccc(-c2ccncc2)cc1 ZINC000180770052 821445287 /nfs/dbraw/zinc/44/52/87/821445287.db2.gz CDYSRZOOGVURBF-IIBYNOLFSA-N 1 0 375.447 4.344 20 0 GIADRO C[C@H]([NH2+][C@H]1CCN(c2ccccc2F)C1=O)c1ccc(-c2ccncc2)cc1 ZINC000180770076 821445316 /nfs/dbraw/zinc/44/53/16/821445316.db2.gz CDYSRZOOGVURBF-KKSFZXQISA-N 1 0 375.447 4.344 20 0 GIADRO O=c1cc(C[NH2+][C@@H](Cc2ccc(Cl)cc2)c2ccccc2)nc2sccn21 ZINC000180769991 821445415 /nfs/dbraw/zinc/44/54/15/821445415.db2.gz BMBPAAUPQYAZRR-IBGZPJMESA-N 1 0 395.915 4.483 20 0 GIADRO CCN(CC)C(=O)CCC1CC[NH+](Cc2c[nH]nc2-c2ccc(C)cc2)CC1 ZINC000180771498 821446061 /nfs/dbraw/zinc/44/60/61/821446061.db2.gz CCCJGKPCCRFIDN-UHFFFAOYSA-N 1 0 382.552 4.246 20 0 GIADRO CCc1ccc([C@@H](CNC(=O)c2cnn(-c3cccc(C)c3)c2C)[NH+](C)C)cc1 ZINC000043729012 821448333 /nfs/dbraw/zinc/44/83/33/821448333.db2.gz ACEMYDMYCMKBGT-HSZRJFAPSA-N 1 0 390.531 4.084 20 0 GIADRO CC(C)N(C)c1ccc(NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1F ZINC000180774673 821448555 /nfs/dbraw/zinc/44/85/55/821448555.db2.gz CVODSEDCEYGZRU-UHFFFAOYSA-N 1 0 399.514 4.103 20 0 GIADRO O=C(c1cccc2c3c([nH]c21)CCCC3)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000043732134 821449373 /nfs/dbraw/zinc/44/93/73/821449373.db2.gz KYWUZSSTWBKKAZ-UHFFFAOYSA-N 1 0 387.527 4.395 20 0 GIADRO Cc1cc([C@@H]([NH2+]C[C@@]2(CCO)CCOC2)c2ccccc2Cl)ccc1F ZINC000180775913 821449810 /nfs/dbraw/zinc/44/98/10/821449810.db2.gz JURUWPMCYLQPAY-NHCUHLMSSA-N 1 0 377.887 4.256 20 0 GIADRO Fc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)cc1 ZINC000180801664 821465800 /nfs/dbraw/zinc/46/58/00/821465800.db2.gz ZTYUADFWJJOJET-MRXNPFEDSA-N 1 0 393.388 4.268 20 0 GIADRO COc1cc([C@@H](C)[NH2+]CCCOc2cccc3cccnc32)cc(OC)c1OC ZINC000180804557 821467553 /nfs/dbraw/zinc/46/75/53/821467553.db2.gz CXMPNJCNCISVKS-MRXNPFEDSA-N 1 0 396.487 4.380 20 0 GIADRO CCCc1cnc(NC(=O)N(Cc2ccncc2)C[C@@H]2CCC[N@@H+]2CC)s1 ZINC000180805953 821468736 /nfs/dbraw/zinc/46/87/36/821468736.db2.gz RYVZLTGLTWWMMT-KRWDZBQOSA-N 1 0 387.553 4.009 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccccc1N1CCCC1=O)c1ccccc1 ZINC000043853057 821472887 /nfs/dbraw/zinc/47/28/87/821472887.db2.gz FEHPEVOFCPBRIB-OAQYLSRUSA-N 1 0 394.519 4.018 20 0 GIADRO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)c1cccc(-n2cccn2)c1 ZINC000180815425 821475735 /nfs/dbraw/zinc/47/57/35/821475735.db2.gz JNUARGSDBRPJDH-UPRUFMODSA-N 1 0 396.535 4.453 20 0 GIADRO CC[C@@H](C)Oc1ccc(NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000180815907 821476494 /nfs/dbraw/zinc/47/64/94/821476494.db2.gz WCTXXVPDLSCZMU-QGZVFWFLSA-N 1 0 382.508 4.297 20 0 GIADRO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cccc(OCc4ccc(F)cc4)c3)[C@@H]2C1 ZINC000180817727 821477797 /nfs/dbraw/zinc/47/77/97/821477797.db2.gz UXRWZWUHAGGKEX-MZYLBHOOSA-N 1 0 385.479 4.173 20 0 GIADRO CCS(=O)(=O)C[C@H](C)[NH2+][C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000180821565 821480644 /nfs/dbraw/zinc/48/06/44/821480644.db2.gz IKYHTFBHJCNLDG-VHSXEESVSA-N 1 0 391.377 4.198 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)Nc1ccccc1OC(F)(F)F ZINC000043879490 821483331 /nfs/dbraw/zinc/48/33/31/821483331.db2.gz YPLYJIOLXZOTGV-CQSZACIVSA-N 1 0 383.370 4.137 20 0 GIADRO Cc1ncc([C@H](C)[NH2+]CCC(=O)Nc2cc(Br)ccc2C)s1 ZINC000180830157 821484459 /nfs/dbraw/zinc/48/44/59/821484459.db2.gz WGUKXABILVXCJG-NSHDSACASA-N 1 0 382.327 4.202 20 0 GIADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)CCCc2ccc3ccccc3c2)[C@H](C)C1 ZINC000180834881 821486603 /nfs/dbraw/zinc/48/66/03/821486603.db2.gz LCRHBRIODCNZTL-YKSBVNFPSA-N 1 0 396.575 4.416 20 0 GIADRO CC(C)Oc1ccc(F)cc1NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180836856 821488124 /nfs/dbraw/zinc/48/81/24/821488124.db2.gz YYOMKZHXGYIZHK-UHFFFAOYSA-N 1 0 386.471 4.046 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1ccc(OCC(F)(F)F)cc1)c1ccsc1 ZINC000043919043 821489865 /nfs/dbraw/zinc/48/98/65/821489865.db2.gz YJYRYARIOBZEFE-OAHLLOKOSA-N 1 0 387.427 4.114 20 0 GIADRO O=C(Nc1ccccc1SCC(F)(F)F)N1CCN(c2cc[nH+]cc2)CC1 ZINC000043960653 821496347 /nfs/dbraw/zinc/49/63/47/821496347.db2.gz ZFGAVYNGYJJTMF-UHFFFAOYSA-N 1 0 396.438 4.090 20 0 GIADRO COc1ccc([C@H]([NH2+][C@H]2CCCOC2)c2ccccc2)cc1Br ZINC000180859925 821498864 /nfs/dbraw/zinc/49/88/64/821498864.db2.gz JCTSQWBSUMIULB-QFBILLFUSA-N 1 0 376.294 4.316 20 0 GIADRO COc1cc(OC)c([C@@H](C)[NH2+]CCc2nc3c(cccc3F)n2C)cc1Cl ZINC000180860555 821498930 /nfs/dbraw/zinc/49/89/30/821498930.db2.gz GCMNNNSFGFSORA-GFCCVEGCSA-N 1 0 391.874 4.276 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)N(C)Cc1ccc(OC)cc1 ZINC000043993832 821499248 /nfs/dbraw/zinc/49/92/48/821499248.db2.gz NRTCTIVGCIXTRB-UHFFFAOYSA-N 1 0 385.508 4.080 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)N1CCC[C@H]1c1cc(C)on1 ZINC000043993353 821499313 /nfs/dbraw/zinc/49/93/13/821499313.db2.gz HSPOESDPRPLVLA-IBGZPJMESA-N 1 0 386.496 4.073 20 0 GIADRO COc1ccc2cc(CNC(=O)N[C@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)ccc2c1 ZINC000180861935 821500215 /nfs/dbraw/zinc/50/02/15/821500215.db2.gz BEIYQFVJVFZXSC-UTKZUKDTSA-N 1 0 395.547 4.301 20 0 GIADRO Cc1ccc(-c2nn(Cc3ccccc3)cc2C[N@H+]2CC[C@@H]([C@@H](C)O)C2)cc1 ZINC000180868489 821503714 /nfs/dbraw/zinc/50/37/14/821503714.db2.gz DQBIUMMMARFOBW-DENIHFKCSA-N 1 0 375.516 4.110 20 0 GIADRO O=C(NC1CC[NH+](C2CCCC2)CC1)N[C@H]1CCCOc2c(Cl)cccc21 ZINC000180877198 821508074 /nfs/dbraw/zinc/50/80/74/821508074.db2.gz VJYQEYZLUDFEMB-IBGZPJMESA-N 1 0 391.943 4.260 20 0 GIADRO COc1cccc([C@@H](CNC(=S)N[C@@H](C)c2ccccc2)[NH+]2CCCC2)c1 ZINC000044056221 821513899 /nfs/dbraw/zinc/51/38/99/821513899.db2.gz GIYUYWYIMUDHKH-LAUBAEHRSA-N 1 0 383.561 4.057 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[NH2+][C@H](C)c2ccc(-c3ccncc3)cc2)c1 ZINC000180897535 821522232 /nfs/dbraw/zinc/52/22/32/821522232.db2.gz OKJVAZWRPVTCKK-MRXNPFEDSA-N 1 0 391.471 4.055 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[NH2+][C@@H](C)c2ccc(-c3ccncc3)cc2)c1 ZINC000180897515 821522445 /nfs/dbraw/zinc/52/24/45/821522445.db2.gz OKJVAZWRPVTCKK-INIZCTEOSA-N 1 0 391.471 4.055 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc(-c2ccncc2)cc1)C(=O)NCCc1cccs1 ZINC000180899982 821524185 /nfs/dbraw/zinc/52/41/85/821524185.db2.gz MAMZJNNZQAEUTE-IAGOWNOFSA-N 1 0 379.529 4.208 20 0 GIADRO C[NH+](C)Cc1ccc(NC(=S)NCCSc2ccc(Cl)cc2)cc1 ZINC000044106271 821524336 /nfs/dbraw/zinc/52/43/36/821524336.db2.gz VHMFWIYLNCIUGT-UHFFFAOYSA-N 1 0 379.982 4.480 20 0 GIADRO COc1cccc(CNC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(-c3ccncc3)cc2)c1 ZINC000180900589 821524945 /nfs/dbraw/zinc/52/49/45/821524945.db2.gz CSVZWBGFSIXFRB-ROUUACIJSA-N 1 0 389.499 4.113 20 0 GIADRO COC(=O)COc1cccc(C[NH2+][C@H](C)[C@@H](C)c2nc3ccccc3s2)c1 ZINC000180909184 821530533 /nfs/dbraw/zinc/53/05/33/821530533.db2.gz VZGDVVDEZAKNGS-HUUCEWRRSA-N 1 0 384.501 4.130 20 0 GIADRO COC(=O)COc1cccc(C[NH2+][C@@H]2CCCOc3c(Cl)cc(C)cc32)c1 ZINC000180911505 821532601 /nfs/dbraw/zinc/53/26/01/821532601.db2.gz STGFLXMZNQZUSI-LJQANCHMSA-N 1 0 389.879 4.204 20 0 GIADRO COc1ccc(C[NH2+][C@@H]2CCc3[nH]c4ccc(C)cc4c3C2)c(OC)c1OC ZINC000180912496 821532978 /nfs/dbraw/zinc/53/29/78/821532978.db2.gz YOIULRMHPIKMDE-MRXNPFEDSA-N 1 0 380.488 4.149 20 0 GIADRO CCc1nc(NC(=O)C[NH2+][C@H](C)c2ccc(-c3ccncc3)cc2)sc1C ZINC000180914228 821534070 /nfs/dbraw/zinc/53/40/70/821534070.db2.gz MXMOTXZYELGDBC-CQSZACIVSA-N 1 0 380.517 4.365 20 0 GIADRO C[C@H](NC(=O)[C@]1(C)CCCC[NH2+]1)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000180920101 821538709 /nfs/dbraw/zinc/53/87/09/821538709.db2.gz VGODEBPKNOJOQZ-AOMKIAJQSA-N 1 0 380.492 4.040 20 0 GIADRO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(-c3ccncc3)cc2)cc1OC ZINC000180924412 821540326 /nfs/dbraw/zinc/54/03/26/821540326.db2.gz UIIMXJWNNSIXLB-INIZCTEOSA-N 1 0 391.471 4.055 20 0 GIADRO O=C(NCCC[NH2+][C@@H](c1ccccc1)c1ccc(OC(F)F)cc1)C1CCC1 ZINC000180930734 821543954 /nfs/dbraw/zinc/54/39/54/821543954.db2.gz MBXSEQQTESLNQT-FQEVSTJZSA-N 1 0 388.458 4.273 20 0 GIADRO Brc1ccccc1[C@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1ccccc1 ZINC000180949822 821552333 /nfs/dbraw/zinc/55/23/33/821552333.db2.gz ONBQCRVFPXXWDT-OXQOHEQNSA-N 1 0 382.305 4.409 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]CC(C)(C)Cc2ccccc2)c1 ZINC000180955195 821554789 /nfs/dbraw/zinc/55/47/89/821554789.db2.gz AXRNCZRFTVUQHA-KRWDZBQOSA-N 1 0 384.520 4.279 20 0 GIADRO CCc1nc2ccccc2n1C1CC[NH+](Cc2cc(C)c(C(=O)OC)o2)CC1 ZINC000180961105 821557926 /nfs/dbraw/zinc/55/79/26/821557926.db2.gz ZAKPGJJZLOORBP-UHFFFAOYSA-N 1 0 381.476 4.124 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1cccc(Cn2cccn2)c1)c1ccccc1 ZINC000044266314 821557844 /nfs/dbraw/zinc/55/78/44/821557844.db2.gz JYSOTFQYXVZQKG-QFIPXVFZSA-N 1 0 391.519 4.136 20 0 GIADRO CCOc1ccc([C@@H](C)NC(=O)Nc2cccc(C[NH+](C)C)c2)cc1OCC ZINC000044293215 821561245 /nfs/dbraw/zinc/56/12/45/821561245.db2.gz MFMFOZKSBFFLRX-MRXNPFEDSA-N 1 0 385.508 4.428 20 0 GIADRO Cc1ccc([C@@H](CC(=O)OC(C)C)NC(=O)Nc2cccc(C[NH+](C)C)c2)cc1 ZINC000044293474 821561322 /nfs/dbraw/zinc/56/13/22/821561322.db2.gz VSNYKGMYKZNLDR-OAQYLSRUSA-N 1 0 397.519 4.261 20 0 GIADRO COCOc1ccc(OC)cc1C[NH2+][C@H]1CCCOc2cc(Cl)ccc21 ZINC000180968693 821562457 /nfs/dbraw/zinc/56/24/57/821562457.db2.gz GGNFHYVZNNTKFO-SFHVURJKSA-N 1 0 377.868 4.335 20 0 GIADRO Cc1ccc(CNC(=O)C2CC[NH+]([C@@H](C)c3nc4ccccc4o3)CC2)cc1F ZINC000180970402 821563878 /nfs/dbraw/zinc/56/38/78/821563878.db2.gz AMKINLVJCNDRRH-INIZCTEOSA-N 1 0 395.478 4.365 20 0 GIADRO C[C@@H]([NH2+]C[C@@H]1CN(c2ccccc2)C(=O)O1)c1ccc(OCC(F)(F)F)cc1 ZINC000180975628 821567955 /nfs/dbraw/zinc/56/79/55/821567955.db2.gz SHZMLUIIBRDPHX-RDTXWAMCSA-N 1 0 394.393 4.304 20 0 GIADRO C[C@H]([NH2+]Cc1cnn(C)c1C(F)(F)F)c1ccc(OCC(F)(F)F)cc1 ZINC000180976118 821568539 /nfs/dbraw/zinc/56/85/39/821568539.db2.gz BARNNGUAVPRIES-JTQLQIEISA-N 1 0 381.320 4.231 20 0 GIADRO Cn1cc([C@@H]([NH2+]C[C@@H](c2ccccc2)C(C)(C)CO)c2cccc(F)c2)cn1 ZINC000180980931 821571920 /nfs/dbraw/zinc/57/19/20/821571920.db2.gz LUCLQRYMRCQZEF-VXKWHMMOSA-N 1 0 381.495 4.041 20 0 GIADRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1cc(=O)[nH]c(C(C)C)c1 ZINC000180991727 821579052 /nfs/dbraw/zinc/57/90/52/821579052.db2.gz AFNPOZNQCQEKSJ-UHFFFAOYSA-N 1 0 385.533 4.020 20 0 GIADRO COc1cc(C[NH2+][C@H]2CCCOc3c(Cl)cccc32)cc2c1OCCO2 ZINC000180995543 821582404 /nfs/dbraw/zinc/58/24/04/821582404.db2.gz NKLXSCRPRSNJLC-INIZCTEOSA-N 1 0 375.852 4.123 20 0 GIADRO C[C@H]([NH2+]CCc1nc(-c2ccccn2)cs1)c1ccc(N2CCCC2=O)cc1 ZINC000181006925 821589111 /nfs/dbraw/zinc/58/91/11/821589111.db2.gz SSLSTVXLOYRURU-INIZCTEOSA-N 1 0 392.528 4.225 20 0 GIADRO CCc1ccccc1NC(=O)C[C@H](C)[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000181007001 821589145 /nfs/dbraw/zinc/58/91/45/821589145.db2.gz VJUYHKNIAAIBKF-INIZCTEOSA-N 1 0 394.544 4.317 20 0 GIADRO COCCOc1ccc([C@H](C)[NH2+]CCc2nc(-c3ccccn3)cs2)cc1 ZINC000181008577 821590320 /nfs/dbraw/zinc/59/03/20/821590320.db2.gz AMNBEOYKHVFHRY-INIZCTEOSA-N 1 0 383.517 4.124 20 0 GIADRO Cn1cc([C@@H]([NH2+][C@@H]2CCCN(c3ccccc3F)C2)c2cccc(F)c2)cn1 ZINC000181033435 821604144 /nfs/dbraw/zinc/60/41/44/821604144.db2.gz JLVKVPRSPLZIJC-KNQAVFIVSA-N 1 0 382.458 4.046 20 0 GIADRO COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H](Cc2ccccc2)C2CC2)c(OC)c1 ZINC000181048830 821610371 /nfs/dbraw/zinc/61/03/71/821610371.db2.gz FPMVVFNWWSZFDF-IERDGZPVSA-N 1 0 382.504 4.032 20 0 GIADRO O=C(NCc1ccc(Cl)cn1)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000181075016 821619816 /nfs/dbraw/zinc/61/98/16/821619816.db2.gz IPOVQAVNBAYMII-SFHVURJKSA-N 1 0 393.318 4.025 20 0 GIADRO Cc1ccc2c(c1)[C@H](Nc1cccc(C[NH+]3CCC(C(N)=O)CC3)c1)[C@@H](C)C2 ZINC000181081602 821623434 /nfs/dbraw/zinc/62/34/34/821623434.db2.gz UUDVDOFQZZIDAG-GAJHUEQPSA-N 1 0 377.532 4.038 20 0 GIADRO Cc1cc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000181084123 821624635 /nfs/dbraw/zinc/62/46/35/821624635.db2.gz AXVJUKXMRFEMOV-OCCSQVGLSA-N 1 0 395.334 4.042 20 0 GIADRO C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)[N@H+](C)CCCn1ccnc1 ZINC000181114350 821641544 /nfs/dbraw/zinc/64/15/44/821641544.db2.gz YTFIMVUMTBXUNC-GOSISDBHSA-N 1 0 378.476 4.025 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1ccc2[nH]c(C(F)F)nc2c1)c1ccc(F)cc1 ZINC000181119863 821644840 /nfs/dbraw/zinc/64/48/40/821644840.db2.gz JJXJPYYXXOREQK-MRXNPFEDSA-N 1 0 391.397 4.064 20 0 GIADRO CC(=O)Nc1cccc(C(=O)NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000044756054 821654411 /nfs/dbraw/zinc/65/44/11/821654411.db2.gz FLKUXZMCNWUFEN-HDICACEKSA-N 1 0 393.531 4.053 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+][C@H]1CCN(c2ccc(C)cc2)C1=O ZINC000181144890 821662310 /nfs/dbraw/zinc/66/23/10/821662310.db2.gz DOACUGWGPVFPGV-BEFAXECRSA-N 1 0 392.528 4.278 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+][C@@H]1CCN(c2ccc(C)cc2)C1=O ZINC000181144869 821662419 /nfs/dbraw/zinc/66/24/19/821662419.db2.gz DOACUGWGPVFPGV-HNAYVOBHSA-N 1 0 392.528 4.278 20 0 GIADRO CCOc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)cc1 ZINC000044803009 821665180 /nfs/dbraw/zinc/66/51/80/821665180.db2.gz OBIXOAFIXUGYEJ-KBPBESRZSA-N 1 0 378.419 4.365 20 0 GIADRO CCOc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000044803170 821665188 /nfs/dbraw/zinc/66/51/88/821665188.db2.gz RPJLGFVIRFTWIR-KBPBESRZSA-N 1 0 378.419 4.365 20 0 GIADRO CSC1(C[NH2+][C@H]2CCCOc3ccc(Br)cc32)CCOCC1 ZINC000181158352 821670689 /nfs/dbraw/zinc/67/06/89/821670689.db2.gz SQONSDKHLPIQIY-HNNXBMFYSA-N 1 0 386.355 4.165 20 0 GIADRO CC(C)C(=O)NCC[NH2+]Cc1ccc(-c2ccccc2Br)s1 ZINC000044861684 821673664 /nfs/dbraw/zinc/67/36/64/821673664.db2.gz BIAXSJZANBTXIQ-UHFFFAOYSA-N 1 0 381.339 4.039 20 0 GIADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]2C[C@H]2C)cc1 ZINC000181164118 821673720 /nfs/dbraw/zinc/67/37/20/821673720.db2.gz MHDOBJGJCNBNFB-RYMBOPBQSA-N 1 0 392.952 4.296 20 0 GIADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]2C[C@@H]2C)cc1 ZINC000181164138 821673916 /nfs/dbraw/zinc/67/39/16/821673916.db2.gz MHDOBJGJCNBNFB-AFHBHXEDSA-N 1 0 392.952 4.296 20 0 GIADRO CCc1ccc(OCC(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000044876632 821675527 /nfs/dbraw/zinc/67/55/27/821675527.db2.gz WNIWAJZQRLCFAU-UHFFFAOYSA-N 1 0 380.532 4.176 20 0 GIADRO COc1ccc([C@H](C)[NH2+]C[C@H](C)Oc2cccc(Cl)c2)cc1NC(C)=O ZINC000181173685 821678575 /nfs/dbraw/zinc/67/85/75/821678575.db2.gz WBGJIXSXPWDQTP-KBPBESRZSA-N 1 0 376.884 4.425 20 0 GIADRO C[C@H]([NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1)C1CCC1 ZINC000181194258 821689202 /nfs/dbraw/zinc/68/92/02/821689202.db2.gz FFTVYRVUENNBJF-RNODOKPDSA-N 1 0 379.472 4.236 20 0 GIADRO C[C@H]([NH2+]C1CCN(C(=O)c2ccccc2F)CC1)c1nc2c(s1)CCCC2 ZINC000181201171 821693281 /nfs/dbraw/zinc/69/32/81/821693281.db2.gz OYHXOSLUFPHQGU-AWEZNQCLSA-N 1 0 387.524 4.116 20 0 GIADRO O=C(C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1)Nc1cccc2c1N=S=N2 ZINC000181223410 821705095 /nfs/dbraw/zinc/70/50/95/821705095.db2.gz MHOQNFYTCUHQQE-RDTXWAMCSA-N 1 0 382.489 4.109 20 0 GIADRO CC[C@@H]1c2ccsc2CCN1C(=O)C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000181226172 821705702 /nfs/dbraw/zinc/70/57/02/821705702.db2.gz AHJCBLUVWYHIOG-DZFGPLHGSA-N 1 0 398.572 4.341 20 0 GIADRO O=C(C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1)Nc1cccc(C(F)(F)F)c1 ZINC000181233786 821710323 /nfs/dbraw/zinc/71/03/23/821710323.db2.gz WZMIBBAWRBNRRU-KXBFYZLASA-N 1 0 392.421 4.401 20 0 GIADRO O=C(C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1)Nc1ccc(F)cc1Cl ZINC000181236768 821712382 /nfs/dbraw/zinc/71/23/82/821712382.db2.gz ZEDPDUJEIHYGAS-KUHUBIRLSA-N 1 0 376.859 4.175 20 0 GIADRO CCC(CC)n1nc(C)cc1C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000181247035 821717259 /nfs/dbraw/zinc/71/72/59/821717259.db2.gz HYGNHJFZLOYSCG-UHFFFAOYSA-N 1 0 398.551 4.009 20 0 GIADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]Cc1ccccc1N1CCCCC1 ZINC000181267279 821725186 /nfs/dbraw/zinc/72/51/86/821725186.db2.gz VHCWIEIOJWYWKF-MRXNPFEDSA-N 1 0 386.927 4.232 20 0 GIADRO CC(C)c1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)cc1 ZINC000181271029 821726182 /nfs/dbraw/zinc/72/61/82/821726182.db2.gz RDMGHQSUALKVIG-INIZCTEOSA-N 1 0 381.476 4.056 20 0 GIADRO Cc1nc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(-c3cccnc3)cc2)sc1C ZINC000181277097 821730084 /nfs/dbraw/zinc/73/00/84/821730084.db2.gz IDJAIMNUEJBCPZ-HUUCEWRRSA-N 1 0 380.517 4.500 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccnc1 ZINC000181284508 821734476 /nfs/dbraw/zinc/73/44/76/821734476.db2.gz UHCVOKIFMRQORZ-SNVBAGLBSA-N 1 0 391.315 4.409 20 0 GIADRO C[C@@H]([NH2+]CCC(=O)Nc1cc(N)ccc1F)c1ccc(-c2cccnc2)cc1 ZINC000181284903 821735254 /nfs/dbraw/zinc/73/52/54/821735254.db2.gz KKYDNRNDEQSBMZ-OAHLLOKOSA-N 1 0 378.451 4.149 20 0 GIADRO CC(C)OC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)cc1 ZINC000181289019 821737031 /nfs/dbraw/zinc/73/70/31/821737031.db2.gz SKZVPJSNWMDLEP-INIZCTEOSA-N 1 0 382.460 4.059 20 0 GIADRO COc1ccccc1N1CC[C@H]([NH2+][C@@H](C)c2cccc(-c3ccncc3)c2)C1=O ZINC000181288640 821737175 /nfs/dbraw/zinc/73/71/75/821737175.db2.gz SUHVRIRCOOSQFD-UWJYYQICSA-N 1 0 387.483 4.213 20 0 GIADRO C[C@H](Cc1ccccc1Br)[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000181308378 821747838 /nfs/dbraw/zinc/74/78/38/821747838.db2.gz OKUGNOGRZKIUKW-KGLIPLIRSA-N 1 0 396.350 4.134 20 0 GIADRO C[C@H](Cc1ccccc1Br)[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000181309178 821748382 /nfs/dbraw/zinc/74/83/82/821748382.db2.gz HHNFFCFJVXYSSD-MRXNPFEDSA-N 1 0 388.353 4.029 20 0 GIADRO CCc1nc(NC(=O)C[NH2+][C@H](C)c2ccc(-c3cccnc3)cc2)sc1C ZINC000181311524 821749571 /nfs/dbraw/zinc/74/95/71/821749571.db2.gz AFVZSJWCLVGRSB-CQSZACIVSA-N 1 0 380.517 4.365 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N1CCC[C@@H](C(F)(F)F)C1)c1ccc(-c2cccnc2)cc1 ZINC000181311606 821749863 /nfs/dbraw/zinc/74/98/63/821749863.db2.gz HZMZJWGHIBBWLI-DNVCBOLYSA-N 1 0 391.437 4.200 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+][C@H]2CCCOc3c(F)cccc32)cc1 ZINC000181321973 821758208 /nfs/dbraw/zinc/75/82/08/821758208.db2.gz YIIGREIBVSDABF-KUHUBIRLSA-N 1 0 392.496 4.152 20 0 GIADRO COc1cccc2[nH]cc(CC[NH2+][C@@H](C)c3cccc(N4CCOC4=O)c3)c21 ZINC000181331735 821764693 /nfs/dbraw/zinc/76/46/93/821764693.db2.gz RFIGJNQPNLEMDZ-HNNXBMFYSA-N 1 0 379.460 4.026 20 0 GIADRO CC(C)CNC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)c1 ZINC000181347897 821777632 /nfs/dbraw/zinc/77/76/32/821777632.db2.gz RSRDFNZXJQCQKQ-SFHVURJKSA-N 1 0 393.531 4.050 20 0 GIADRO O=C(C[NH2+][C@@H](CC1CCC1)c1ccccc1)Nc1cccc(C(=O)NC2CC2)c1 ZINC000181350991 821779541 /nfs/dbraw/zinc/77/95/41/821779541.db2.gz OJZFHOKWDSAVRV-QFIPXVFZSA-N 1 0 391.515 4.038 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+]Cc2ccc(OC)c(OC(F)F)c2)s1 ZINC000181376677 821794284 /nfs/dbraw/zinc/79/42/84/821794284.db2.gz ABRLBKNGIHXMFP-LLVKDONJSA-N 1 0 386.464 4.101 20 0 GIADRO CCc1ccc2c(C[NH2+][C@H](C)c3ccc(N4CCCC4=O)cc3)cc(=O)oc2c1 ZINC000181378261 821795818 /nfs/dbraw/zinc/79/58/18/821795818.db2.gz FEZCSXVYPDAJSO-MRXNPFEDSA-N 1 0 390.483 4.333 20 0 GIADRO C[C@@H]([NH2+]C[C@H](O)c1cccc(Br)c1)c1ccccc1-n1cccn1 ZINC000181388892 821800271 /nfs/dbraw/zinc/80/02/71/821800271.db2.gz XVFTXGJOKLTOCX-KUHUBIRLSA-N 1 0 386.293 4.019 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)N[C@H](c2c(F)cccc2F)C(F)(F)F)c1 ZINC000181395700 821805122 /nfs/dbraw/zinc/80/51/22/821805122.db2.gz IJBSGKFPDJFQGG-MRXNPFEDSA-N 1 0 387.352 4.452 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)s1 ZINC000181398828 821806427 /nfs/dbraw/zinc/80/64/27/821806427.db2.gz NLOJZYFOUCCBLY-VBKZILBWSA-N 1 0 388.533 4.214 20 0 GIADRO Cc1ccn(-c2ccccc2CN[C@H](C)c2ncc(Br)s2)n1 ZINC000181402376 821808008 /nfs/dbraw/zinc/80/80/08/821808008.db2.gz KORJQSBXWHMOIX-GFCCVEGCSA-N 1 0 377.311 4.251 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+]C[C@H]2CCCN(Cc3cccs3)C2)s1 ZINC000181405355 821809180 /nfs/dbraw/zinc/80/91/80/821809180.db2.gz WZHAQZKWQXTDBU-NVXWUHKLSA-N 1 0 393.622 4.265 20 0 GIADRO COc1cccc2cc([C@H](C)[NH2+]Cc3ccccc3CN3CCOCC3)oc21 ZINC000181416073 821814311 /nfs/dbraw/zinc/81/43/11/821814311.db2.gz CJOQLGPRBNSPDD-KRWDZBQOSA-N 1 0 380.488 4.124 20 0 GIADRO COc1cccc2cc([C@@H](C)[NH2+][C@@H](CN3CCOCC3)c3ccccc3)oc21 ZINC000181421508 821818071 /nfs/dbraw/zinc/81/80/71/821818071.db2.gz IROGVKWNRQIZFP-XLIONFOSSA-N 1 0 380.488 4.166 20 0 GIADRO Cc1cccc(Cl)c1NC(=O)C[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181427993 821821696 /nfs/dbraw/zinc/82/16/96/821821696.db2.gz OBTAKBJBYJCDJD-HNNXBMFYSA-N 1 0 385.895 4.065 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+]Cc2cc(N(C)C)nc3ccccc23)s1 ZINC000181429270 821822454 /nfs/dbraw/zinc/82/24/54/821822454.db2.gz SNHUZBJOPKSORN-CQSZACIVSA-N 1 0 384.549 4.105 20 0 GIADRO Cc1ccc(-c2nc(CC(=O)N[C@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)cs2)o1 ZINC000181431933 821823492 /nfs/dbraw/zinc/82/34/92/821823492.db2.gz KWSDICZBSPQIDC-HZPDHXFCSA-N 1 0 387.549 4.023 20 0 GIADRO CCOc1cccc2cc([C@H](C)[NH2+]Cc3ccc(Cn4cncn4)cc3)oc21 ZINC000181445118 821829421 /nfs/dbraw/zinc/82/94/21/821829421.db2.gz YASBUHBWGFXHFZ-INIZCTEOSA-N 1 0 376.460 4.322 20 0 GIADRO Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)cc1Cl ZINC000181447494 821830281 /nfs/dbraw/zinc/83/02/81/821830281.db2.gz NMYHIMXNXPFLCI-IDHHARJASA-N 1 0 382.957 4.010 20 0 GIADRO C[C@H](NC(=O)CSCc1ccc(Cl)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181449960 821831286 /nfs/dbraw/zinc/83/12/86/821831286.db2.gz HXDGCQQFXRPMRP-RDJZCZTQSA-N 1 0 380.985 4.342 20 0 GIADRO CN(C)C(=O)c1cccc(NC(=O)C[NH2+]C2(c3cccc(Cl)c3)CCCC2)c1 ZINC000181459468 821835833 /nfs/dbraw/zinc/83/58/33/821835833.db2.gz MGICGGRUIZKUJI-UHFFFAOYSA-N 1 0 399.922 4.039 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(Br)cc1N1CCOCC1)c1cccc(F)c1 ZINC000181459601 821835850 /nfs/dbraw/zinc/83/58/50/821835850.db2.gz UHNVCSCLSPQJBO-AWEZNQCLSA-N 1 0 393.300 4.276 20 0 GIADRO CC[NH+](CC)CCCC1CCN(Cn2nc(N3CCCC3)sc2=S)CC1 ZINC000181459309 821836127 /nfs/dbraw/zinc/83/61/27/821836127.db2.gz GSEQBHFLOQSXQE-UHFFFAOYSA-N 1 0 397.658 4.066 20 0 GIADRO CC(C)(Cc1ccc(Br)cc1)[NH2+]Cc1nnc(C2CC2)n1C1CC1 ZINC000181462887 821837835 /nfs/dbraw/zinc/83/78/35/821837835.db2.gz AYNTWWRHXGQJDF-UHFFFAOYSA-N 1 0 389.341 4.364 20 0 GIADRO CCOc1cccc(CC[NH2+][C@@H](C)c2ccc(OCc3nccn3C)cc2)c1 ZINC000181483509 821846412 /nfs/dbraw/zinc/84/64/12/821846412.db2.gz VBJOUOGZAUWZHE-SFHVURJKSA-N 1 0 379.504 4.291 20 0 GIADRO CCCOc1ccc(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1OCC ZINC000181483290 821846659 /nfs/dbraw/zinc/84/66/59/821846659.db2.gz PLFYYHAOIFNFLF-MJGOQNOKSA-N 1 0 388.552 4.257 20 0 GIADRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2)c1 ZINC000181487155 821848724 /nfs/dbraw/zinc/84/87/24/821848724.db2.gz OEBBJOZZOOWLEC-QHCPKHFHSA-N 1 0 397.478 4.280 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)C[NH2+][C@H](c2ccccc2F)C2CCCC2)cc1 ZINC000181495247 821852736 /nfs/dbraw/zinc/85/27/36/821852736.db2.gz VFSMHEJRICHQTK-QFIPXVFZSA-N 1 0 383.467 4.244 20 0 GIADRO COc1cccc(-c2nc(C[NH2+][C@@H](CCO)C3CCCCC3)cs2)c1OC ZINC000181497253 821854392 /nfs/dbraw/zinc/85/43/92/821854392.db2.gz BNMLTZHIWDHYSX-SFHVURJKSA-N 1 0 390.549 4.248 20 0 GIADRO Cc1nc2ccccc2c(C)c1CC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181503564 821856365 /nfs/dbraw/zinc/85/63/65/821856365.db2.gz TWTMLNCGDLUFJF-PKOBYXMFSA-N 1 0 379.548 4.163 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1cccc(O)c1)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000181506809 821858282 /nfs/dbraw/zinc/85/82/82/821858282.db2.gz DWWOXKWFCNRDAD-CHWSQXEVSA-N 1 0 385.464 4.333 20 0 GIADRO C[C@@H](NC(=O)CCc1cccc(Br)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181507456 821859160 /nfs/dbraw/zinc/85/91/60/821859160.db2.gz KTQYAQJPRDDQLR-NVXWUHKLSA-N 1 0 393.369 4.151 20 0 GIADRO CCOc1cccc2cc([C@@H](C)[NH2+]Cc3ccc(N4CCO[C@H](C)C4)nc3)oc21 ZINC000181510351 821860511 /nfs/dbraw/zinc/86/05/11/821860511.db2.gz IPCMVVCCUFKTJG-IAGOWNOFSA-N 1 0 395.503 4.302 20 0 GIADRO C[C@@H](NC(=O)CCc1ccccc1OC(F)(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181512004 821861602 /nfs/dbraw/zinc/86/16/02/821861602.db2.gz POLUVACMRCPVPD-NVXWUHKLSA-N 1 0 398.469 4.287 20 0 GIADRO CC(C)([NH2+]CCC(=O)Nc1cc(N)ccc1F)c1ccccc1Br ZINC000181514998 821862621 /nfs/dbraw/zinc/86/26/21/821862621.db2.gz RCFZDNPIVHVFMM-UHFFFAOYSA-N 1 0 394.288 4.024 20 0 GIADRO CCCc1ccc(C(=O)CCC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000181518377 821864102 /nfs/dbraw/zinc/86/41/02/821864102.db2.gz BJRLUBXNTAGHHJ-GHTZIAJQSA-N 1 0 384.564 4.371 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1ccc(OCc2ccccc2)cc1)c1cccc(O)c1 ZINC000181519420 821864330 /nfs/dbraw/zinc/86/43/30/821864330.db2.gz OEIXTJVKDXVGIZ-KRWDZBQOSA-N 1 0 376.456 4.261 20 0 GIADRO C[C@H]([NH2+]CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)c1cccc(O)c1 ZINC000181522665 821865680 /nfs/dbraw/zinc/86/56/80/821865680.db2.gz XSLOYDDUUAIBIE-QMHKHESXSA-N 1 0 392.524 4.279 20 0 GIADRO COCc1cccc(CNC(=O)C[NH2+][C@H](C)c2ccc(Cl)c(Cl)c2)c1 ZINC000181523269 821865790 /nfs/dbraw/zinc/86/57/90/821865790.db2.gz FVBBJBKYZOJNJR-CYBMUJFWSA-N 1 0 381.303 4.107 20 0 GIADRO Cc1ccc(-c2nc(C)c(C(=O)N[C@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)s2)o1 ZINC000181528677 821867223 /nfs/dbraw/zinc/86/72/23/821867223.db2.gz HSMIOPLQHKWEDM-GDBMZVCRSA-N 1 0 387.549 4.403 20 0 GIADRO COc1cccc2cc([C@H](C)[NH2+]Cc3cccc(CN4CCOCC4)c3)oc21 ZINC000181530740 821868712 /nfs/dbraw/zinc/86/87/12/821868712.db2.gz LYSUYVIKYYWXDQ-KRWDZBQOSA-N 1 0 380.488 4.124 20 0 GIADRO CCCCOc1ccc(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1OC ZINC000181533444 821870502 /nfs/dbraw/zinc/87/05/02/821870502.db2.gz HASVANKQLLYCNR-IEBWSBKVSA-N 1 0 388.552 4.257 20 0 GIADRO COC[C@H](Cc1ccccc1)[NH2+][C@H](C)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000181536660 821872019 /nfs/dbraw/zinc/87/20/19/821872019.db2.gz LDHBNVPONQMPHP-WNOPAQSVSA-N 1 0 383.532 4.159 20 0 GIADRO CC(C)(CO)[C@H](C[NH2+]C1CCC2(CC1)C(=O)Nc1ccccc12)c1ccccc1 ZINC000181554648 821878981 /nfs/dbraw/zinc/87/89/81/821878981.db2.gz HONYCVJPQYWPDC-FMQWRWPZSA-N 1 0 392.543 4.211 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1cccc(CSc2ccccn2)c1)c1cccc(O)c1 ZINC000181572430 821884542 /nfs/dbraw/zinc/88/45/42/821884542.db2.gz LVONJCDUKRLMSY-MRXNPFEDSA-N 1 0 393.512 4.369 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1cc(F)ccc1F)c1ccc(OCC2CC2)c(F)c1 ZINC000181576421 821886366 /nfs/dbraw/zinc/88/63/66/821886366.db2.gz HBVWOAHXMZFGCD-LBPRGKRZSA-N 1 0 378.394 4.182 20 0 GIADRO C[C@@H]([NH2+]C1CCN([C@@H](C)c2ccncc2)CC1)c1cccc(N2CCCC2=O)c1 ZINC000181590076 821893132 /nfs/dbraw/zinc/89/31/32/821893132.db2.gz LNRYBTSRDFAMPK-MOPGFXCFSA-N 1 0 392.547 4.085 20 0 GIADRO CC[C@@H]([NH2+]C1CCN([C@H](C)c2ccncc2)CC1)c1ccc2c(c1)OCCO2 ZINC000181590174 821893525 /nfs/dbraw/zinc/89/35/25/821893525.db2.gz HOVKYBQAHBHSPS-DYESRHJHSA-N 1 0 381.520 4.119 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(COCC(F)(F)F)c1)c1ccc2c(c1)OCCO2 ZINC000181595847 821895335 /nfs/dbraw/zinc/89/53/35/821895335.db2.gz MXCGGBNYFLIQEH-AWEZNQCLSA-N 1 0 381.394 4.388 20 0 GIADRO COc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1OC1CCCC1 ZINC000181596814 821895813 /nfs/dbraw/zinc/89/58/13/821895813.db2.gz AXFDMYSQLNQXPW-IBGZPJMESA-N 1 0 398.503 4.177 20 0 GIADRO O=c1cc(C[NH2+][C@@H](Cc2ccccc2Cl)c2ccccc2)nc2ccccn12 ZINC000181598588 821897073 /nfs/dbraw/zinc/89/70/73/821897073.db2.gz QUQPTLLUTPKGBF-NRFANRHFSA-N 1 0 389.886 4.422 20 0 GIADRO CC[C@H](C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(OC)cc1 ZINC000181602379 821898581 /nfs/dbraw/zinc/89/85/81/821898581.db2.gz HDLVMGXYUOEVMK-QHCPKHFHSA-N 1 0 395.547 4.349 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(COC2CCOCC2)cc1)c1ccc(F)cc1N(C)C ZINC000181610980 821902354 /nfs/dbraw/zinc/90/23/54/821902354.db2.gz IYVQYVJZKBGVLA-KRWDZBQOSA-N 1 0 386.511 4.438 20 0 GIADRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(COC3CCOCC3)cc1)CCCO2 ZINC000181612841 821903872 /nfs/dbraw/zinc/90/38/72/821903872.db2.gz MTQOSNUQKDKPBK-QHCPKHFHSA-N 1 0 397.515 4.394 20 0 GIADRO CC1(C)[C@H]([NH2+]Cc2ccc(Cn3cnc4ccccc43)cc2)[C@H]2CCCO[C@@H]21 ZINC000181629788 821912347 /nfs/dbraw/zinc/91/23/47/821912347.db2.gz SRCSODAWGNJVHL-PTUXOGIPSA-N 1 0 375.516 4.378 20 0 GIADRO CC1(C)[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)[C@H]2CCCO[C@@H]21 ZINC000181630570 821913003 /nfs/dbraw/zinc/91/30/03/821913003.db2.gz CFRCNKUEJLBGED-MZYLBHOOSA-N 1 0 388.515 4.228 20 0 GIADRO C[C@@H]([NH2+]CC1([C@H](O)c2ccccc2)CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000181647264 821920592 /nfs/dbraw/zinc/92/05/92/821920592.db2.gz QRUVWOUDVPUWEM-IIBYNOLFSA-N 1 0 379.504 4.135 20 0 GIADRO C[C@@H]([NH2+]CC(=O)NC[C@H]1CCN(c2ccccc2)C1)c1cccc2ccccc21 ZINC000181649033 821922371 /nfs/dbraw/zinc/92/23/71/821922371.db2.gz MLZZXBXWSHSPLD-WOJBJXKFSA-N 1 0 387.527 4.133 20 0 GIADRO CCOc1cccc2cc([C@@H](C)[NH2+]CCCNC(=O)c3cccc(O)c3)oc21 ZINC000181651675 821923692 /nfs/dbraw/zinc/92/36/92/821923692.db2.gz KPMOVCQDJKRNMY-OAHLLOKOSA-N 1 0 382.460 4.008 20 0 GIADRO CC(=O)Nc1cccc(C[NH2+]C(C)(C)COc2ncccc2C(F)(F)F)c1 ZINC000181653922 821925034 /nfs/dbraw/zinc/92/50/34/821925034.db2.gz DBFWSUANYBEFED-UHFFFAOYSA-N 1 0 381.398 4.006 20 0 GIADRO COc1ccc(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1-c1ccccn1 ZINC000181657268 821926979 /nfs/dbraw/zinc/92/69/79/821926979.db2.gz AFBNVHGMWJZONT-HKUYNNGSSA-N 1 0 393.531 4.140 20 0 GIADRO CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000181659197 821927511 /nfs/dbraw/zinc/92/75/11/821927511.db2.gz QGWJNSZNZCPSOB-KSSFIOAISA-N 1 0 379.522 4.205 20 0 GIADRO C[C@H](NC(=O)c1ccc(OCc2ccccc2)nc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181659194 821927576 /nfs/dbraw/zinc/92/75/76/821927576.db2.gz GQEPEWIEFLZLTE-RXVVDRJESA-N 1 0 393.531 4.043 20 0 GIADRO CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000181660767 821929020 /nfs/dbraw/zinc/92/90/20/821929020.db2.gz BDHJBQUXGGMIJT-GDBMZVCRSA-N 1 0 383.460 4.191 20 0 GIADRO CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000181662593 821929665 /nfs/dbraw/zinc/92/96/65/821929665.db2.gz PAUCMOGTQMITAW-MAUKXSAKSA-N 1 0 379.522 4.205 20 0 GIADRO C[C@@H](NC(=O)c1cccc(Oc2ccncc2)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181663227 821930667 /nfs/dbraw/zinc/93/06/67/821930667.db2.gz YQCDAAKHJFPCDO-IEBWSBKVSA-N 1 0 379.504 4.257 20 0 GIADRO CCO[C@H]1C[C@H]([NH2+]C2CCN(C(=O)c3ccc(C)cc3)CC2)C12CCCCC2 ZINC000181668208 821934256 /nfs/dbraw/zinc/93/42/56/821934256.db2.gz FHJPCGMOWMEEER-VXKWHMMOSA-N 1 0 384.564 4.317 20 0 GIADRO C[C@@H](NC(=O)COc1ccc(Cl)c(Cl)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181680481 821940513 /nfs/dbraw/zinc/94/05/13/821940513.db2.gz DNAGSRRYSQJOHG-ZIAGYGMSSA-N 1 0 385.335 4.141 20 0 GIADRO C[C@@H](NC(=O)C(C)(C)Oc1cccc(Cl)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181682385 821941959 /nfs/dbraw/zinc/94/19/59/821941959.db2.gz RZUKSVXFZNGAJX-CVEARBPZSA-N 1 0 378.944 4.267 20 0 GIADRO COC(=O)c1ccc(C[NH2+][C@@H](C)c2cccc(-c3ccncc3)c2)cc1OC ZINC000181686916 821944395 /nfs/dbraw/zinc/94/43/95/821944395.db2.gz IMUGSLWRNFXRST-INIZCTEOSA-N 1 0 376.456 4.395 20 0 GIADRO CC(C)(C)C(=O)N1CCC(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)CC1 ZINC000181713158 821956367 /nfs/dbraw/zinc/95/63/67/821956367.db2.gz CBKDORVCBTWWPU-LJQANCHMSA-N 1 0 388.527 4.005 20 0 GIADRO CCc1nn(C)c(CC)c1C[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000181723919 821962102 /nfs/dbraw/zinc/96/21/02/821962102.db2.gz JLOQDIBFKDPNLP-KRWDZBQOSA-N 1 0 392.341 4.311 20 0 GIADRO CC[C@H]([NH2+][C@H](C)c1ccc(C(F)(F)F)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000181735635 821968279 /nfs/dbraw/zinc/96/82/79/821968279.db2.gz QFTKXRJGXSXQKN-PXAZEXFGSA-N 1 0 386.439 4.155 20 0 GIADRO C[C@H]1C[C@H]([N@H+](C)CC2CCN(C(=O)C(C)(C)C)CC2)CCN1Cc1ccccc1 ZINC000181736971 821969450 /nfs/dbraw/zinc/96/94/50/821969450.db2.gz XHRXTFBAWITPRL-NZQKXSOJSA-N 1 0 399.623 4.256 20 0 GIADRO CCC1(CC)[C@@H]([NH2+]Cc2cccc(NC(=O)NCc3ccncc3)c2)C[C@@H]1OC ZINC000181748678 821975207 /nfs/dbraw/zinc/97/52/07/821975207.db2.gz QSRUPEBURSQBAY-SFTDATJTSA-N 1 0 396.535 4.087 20 0 GIADRO C[C@H]([NH2+]CCCOc1ccc(S(C)(=O)=O)cc1)c1c(F)cccc1Cl ZINC000181748570 821975212 /nfs/dbraw/zinc/97/52/12/821975212.db2.gz BAVCZPHLUSBZHO-ZDUSSCGKSA-N 1 0 385.888 4.002 20 0 GIADRO CCC[N@H+](CC1CCN(C(=O)C(C)(C)C)CC1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000181754129 821977692 /nfs/dbraw/zinc/97/76/92/821977692.db2.gz BYXXXQOUFSDKLH-SFHVURJKSA-N 1 0 387.568 4.010 20 0 GIADRO CC(C)(C)c1ccc([C@H](O)C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000181762742 821981207 /nfs/dbraw/zinc/98/12/07/821981207.db2.gz CCFWXMRQWMQUOV-XMMPIXPASA-N 1 0 391.559 4.143 20 0 GIADRO Cc1ccc(CNC(=O)c2cccc(C[NH2+]Cc3cnn(CC(C)C)c3)c2)cc1 ZINC000181765902 821983511 /nfs/dbraw/zinc/98/35/11/821983511.db2.gz CPNQRPUVXAIGIJ-UHFFFAOYSA-N 1 0 390.531 4.067 20 0 GIADRO Cc1c(C[NH2+][C@H](C)c2cnn(-c3ccc(Cl)cc3Cl)c2C)cnn1C ZINC000181778776 821988798 /nfs/dbraw/zinc/98/87/98/821988798.db2.gz KPJLFIHWEMXWJR-LLVKDONJSA-N 1 0 378.307 4.380 20 0 GIADRO CS(=O)(=O)C[C@H]([NH2+]CCCc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000181780212 821989306 /nfs/dbraw/zinc/98/93/06/821989306.db2.gz OZVMUDMMRYSHQR-SFHVURJKSA-N 1 0 385.451 4.014 20 0 GIADRO COc1cc(NC(=O)C[NH2+][C@H](C)C(C)(C)c2ccccc2)c(OC)cc1Cl ZINC000181781063 821990028 /nfs/dbraw/zinc/99/00/28/821990028.db2.gz OJUKTHFVZMWHSG-CQSZACIVSA-N 1 0 390.911 4.252 20 0 GIADRO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000181808891 822001576 /nfs/dbraw/zinc/00/15/76/822001576.db2.gz XVYKOLYVWKRRHA-AOIWGVFYSA-N 1 0 393.556 4.427 20 0 GIADRO CC[C@@H]([NH2+][C@@H](C)C(=O)N(C)Cc1nc2ccccc2s1)c1ccc(OC)cc1 ZINC000181811466 822002798 /nfs/dbraw/zinc/00/27/98/822002798.db2.gz JDJIJJMLMRWAAE-MAUKXSAKSA-N 1 0 397.544 4.393 20 0 GIADRO Cc1cc(C)c2c(c1)[C@H]([NH2+]C[C@H]1CC(=O)N(Cc3ccccc3)C1)CCCO2 ZINC000181813556 822003632 /nfs/dbraw/zinc/00/36/32/822003632.db2.gz KWOPCMSMVLNNFK-IFMALSPDSA-N 1 0 378.516 4.155 20 0 GIADRO CC[C@@H]([NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(OC(F)F)cc1 ZINC000181814797 822004113 /nfs/dbraw/zinc/00/41/13/822004113.db2.gz LJHSMYUFVQHZDE-YLJYHZDGSA-N 1 0 388.458 4.377 20 0 GIADRO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1cccc(-c2ccncc2)c1 ZINC000181817019 822004770 /nfs/dbraw/zinc/00/47/70/822004770.db2.gz RJBXTVPSMIFBKN-CTNGQTDRSA-N 1 0 385.511 4.448 20 0 GIADRO CC[NH+](CC)CCCC1CCN(c2ncccc2C(=O)N2CCCCC2)CC1 ZINC000181831620 822010564 /nfs/dbraw/zinc/01/05/64/822010564.db2.gz WJQLWMPQMFGBQX-UHFFFAOYSA-N 1 0 386.584 4.046 20 0 GIADRO CC(C)OC(=O)C[C@H]([NH2+]Cc1ccc(C(=O)N2CCCC2)cc1)c1ccccc1 ZINC000181835275 822011744 /nfs/dbraw/zinc/01/17/44/822011744.db2.gz XSJXTXSHQGPERR-QFIPXVFZSA-N 1 0 394.515 4.095 20 0 GIADRO C[C@H](CN(C)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1nccs1 ZINC000181835372 822011757 /nfs/dbraw/zinc/01/17/57/822011757.db2.gz FXKWIBXLEHGVOE-VYDXJSESSA-N 1 0 392.594 4.033 20 0 GIADRO C[C@H](CN(C)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1nccs1 ZINC000181835412 822012260 /nfs/dbraw/zinc/01/22/60/822012260.db2.gz FXKWIBXLEHGVOE-INMHGKMJSA-N 1 0 392.594 4.033 20 0 GIADRO C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000181886274 822026706 /nfs/dbraw/zinc/02/67/06/822026706.db2.gz OXSDZYSIAMOKGA-MRXNPFEDSA-N 1 0 397.485 4.154 20 0 GIADRO COc1cccc2cc([C@@H](C)[NH2+][C@H]3CCN(C(=O)CCc4ccccc4)C3)oc21 ZINC000181890544 822028384 /nfs/dbraw/zinc/02/83/84/822028384.db2.gz DLUAJFFUKZKPHH-XLIONFOSSA-N 1 0 392.499 4.326 20 0 GIADRO C[C@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1cccc(OC(F)(F)F)c1 ZINC000181898597 822030760 /nfs/dbraw/zinc/03/07/60/822030760.db2.gz HMNHSPOQVGKQBM-NSHDSACASA-N 1 0 383.395 4.198 20 0 GIADRO CC(C)[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1cccc(C(F)(F)F)c1 ZINC000181899019 822030834 /nfs/dbraw/zinc/03/08/34/822030834.db2.gz ZPJBMRRHBZBOBV-UONOGXRCSA-N 1 0 382.348 4.155 20 0 GIADRO CC[NH+](CC)CCOc1ccc(NC(=O)N2CCC[C@@H]2c2c(C)n[nH]c2C)cc1 ZINC000181907127 822033312 /nfs/dbraw/zinc/03/33/12/822033312.db2.gz QUGVIXMUTQAOAK-HXUWFJFHSA-N 1 0 399.539 4.116 20 0 GIADRO CCC(CC)[C@@H]1C[C@@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCO1 ZINC000181924692 822037634 /nfs/dbraw/zinc/03/76/34/822037634.db2.gz ZJZFRLNHXILFFP-VXKWHMMOSA-N 1 0 387.568 4.065 20 0 GIADRO CCC(CC)[C@H]1C[C@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCO1 ZINC000181924676 822037709 /nfs/dbraw/zinc/03/77/09/822037709.db2.gz ZJZFRLNHXILFFP-FGZHOGPDSA-N 1 0 387.568 4.065 20 0 GIADRO CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)cc1 ZINC000181954364 822044459 /nfs/dbraw/zinc/04/44/59/822044459.db2.gz UTTQCRJRXCCXCK-GJZGRUSLSA-N 1 0 380.492 4.341 20 0 GIADRO COc1cccc([C@@H]2[C@@H](NC(=O)N3CCC[C@@H]3c3ccco3)CC[N@@H+]2C2CC2)c1 ZINC000181988006 822054785 /nfs/dbraw/zinc/05/47/85/822054785.db2.gz MFTYXUUUJCLWTC-TUNNFDKTSA-N 1 0 395.503 4.113 20 0 GIADRO Cc1ccnc(Oc2cc(NC(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)ccc2C)c1 ZINC000181989014 822055328 /nfs/dbraw/zinc/05/53/28/822055328.db2.gz WTABITNARUSEHP-IBGZPJMESA-N 1 0 394.519 4.440 20 0 GIADRO CC(=O)Nc1ccc([C@@H](C)[NH2+]CCc2cc(Br)ccc2F)cc1 ZINC000182002843 822058962 /nfs/dbraw/zinc/05/89/62/822058962.db2.gz ISIYYEZRNKWTIS-GFCCVEGCSA-N 1 0 379.273 4.440 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1ccccc1-c1ccccc1)c1ccc(-n2ccnn2)cc1 ZINC000182008413 822060452 /nfs/dbraw/zinc/06/04/52/822060452.db2.gz TUBWHCCETQIAEN-SFHVURJKSA-N 1 0 397.482 4.224 20 0 GIADRO C[C@@H]([NH2+][C@H](CC(N)=O)C1CCCCC1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000182007555 822060530 /nfs/dbraw/zinc/06/05/30/822060530.db2.gz OWHAAZQJEAYYGV-VGOFRKELSA-N 1 0 393.531 4.095 20 0 GIADRO Cc1ccc(N2CCC(C(=O)N[C@@H]3CCCOc4cc(Cl)ccc43)CC2)nc1 ZINC000182021456 822065428 /nfs/dbraw/zinc/06/54/28/822065428.db2.gz BVGZZTNYJZBRMR-LJQANCHMSA-N 1 0 399.922 4.290 20 0 GIADRO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000182021600 822065559 /nfs/dbraw/zinc/06/55/59/822065559.db2.gz VRAFBGKZPYHVKZ-VCBZYWHSSA-N 1 0 391.357 4.029 20 0 GIADRO COc1ccccc1[C@H](NC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1)c1noc(C)n1 ZINC000182032190 822068435 /nfs/dbraw/zinc/06/84/35/822068435.db2.gz CQJAQKBAPVLEGY-BPXKWBHBSA-N 1 0 398.551 4.109 20 0 GIADRO O=C(Nc1ccc(C[NH2+][C@H]2CCCOc3cc(F)ccc32)cc1)c1cccnc1 ZINC000182037912 822070017 /nfs/dbraw/zinc/07/00/17/822070017.db2.gz ALHJPPVMOOPTSX-NRFANRHFSA-N 1 0 391.446 4.477 20 0 GIADRO Cc1nn(C)c(C)c1CCC[NH2+]Cc1c(C)nn(-c2ccc(F)cc2)c1Cl ZINC000182047367 822072879 /nfs/dbraw/zinc/07/28/79/822072879.db2.gz DZPSTZDWXKEWGJ-UHFFFAOYSA-N 1 0 389.906 4.046 20 0 GIADRO CCC[C@H]1CN(C(=O)c2ccc(C)c(NC(C)=O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000182054699 822075913 /nfs/dbraw/zinc/07/59/13/822075913.db2.gz FVGWIKLQLCWOIX-QFIPXVFZSA-N 1 0 393.531 4.080 20 0 GIADRO Cc1cc(C)c(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c(Cl)n1 ZINC000182065456 822079692 /nfs/dbraw/zinc/07/96/92/822079692.db2.gz KMXUWKQXNWQKOA-YOEHRIQHSA-N 1 0 377.941 4.226 20 0 GIADRO Cc1ccc(OCCCC(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)c(C)c1 ZINC000182068041 822080076 /nfs/dbraw/zinc/08/00/76/822080076.db2.gz YVTSMSREZGXFEA-UHFFFAOYSA-N 1 0 396.531 4.058 20 0 GIADRO CCOc1cc(C[N@H+](C)[C@@H](C)c2ccccn2)cc(Br)c1OC ZINC000182068211 822080744 /nfs/dbraw/zinc/08/07/44/822080744.db2.gz UHMWCNWIJYMKJH-ZDUSSCGKSA-N 1 0 379.298 4.444 20 0 GIADRO CC(C)c1ccc(CCC(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000182069365 822080982 /nfs/dbraw/zinc/08/09/82/822080982.db2.gz OILZVUCHMJNFMN-UHFFFAOYSA-N 1 0 380.532 4.338 20 0 GIADRO C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)c1ccc(OCC#N)cc1 ZINC000182075387 822082900 /nfs/dbraw/zinc/08/29/00/822082900.db2.gz BMZDGBINVNJHHX-SZFUDVHCSA-N 1 0 387.886 4.477 20 0 GIADRO COc1cccc2cc([C@H](C)[NH2+]C[C@@H]3CC(=O)N(Cc4ccccc4)C3)oc21 ZINC000182084397 822087229 /nfs/dbraw/zinc/08/72/29/822087229.db2.gz WXVZXGCRIRHINP-WMZOPIPTSA-N 1 0 378.472 4.141 20 0 GIADRO CC(=O)Nc1ccc([C@H](C)[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)cc1 ZINC000182091227 822090442 /nfs/dbraw/zinc/09/04/42/822090442.db2.gz WIDRJEIEKCKTPY-STJZUHDESA-N 1 0 375.513 4.132 20 0 GIADRO CC[C@@H]1Oc2cc([C@H](C)[NH2+][C@@H](C)c3ccc(NC(C)=O)cc3)ccc2NC1=O ZINC000182105548 822095863 /nfs/dbraw/zinc/09/58/63/822095863.db2.gz BJVHBIYTVXHFQB-YRVVQQKDSA-N 1 0 381.476 4.166 20 0 GIADRO CCSc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cccc(N3CCCC3=O)c2)cc1 ZINC000182112013 822098647 /nfs/dbraw/zinc/09/86/47/822098647.db2.gz BZWACEBJIMIGNX-MRXNPFEDSA-N 1 0 397.544 4.215 20 0 GIADRO CC(=O)Nc1ccc([C@@H](C)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)cc1 ZINC000182190873 822140116 /nfs/dbraw/zinc/14/01/16/822140116.db2.gz WYJKEWAOAFMUDF-GOSISDBHSA-N 1 0 392.547 4.350 20 0 GIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cccc(Cl)c2[O-])CC1 ZINC000182197590 822142493 /nfs/dbraw/zinc/14/24/93/822142493.db2.gz HLUUVCCNZZLPFG-HNNXBMFYSA-N 1 0 391.918 4.177 20 0 GIADRO CC(C)[C@@H](Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1)c1ccc(F)c(F)c1 ZINC000182202676 822145501 /nfs/dbraw/zinc/14/55/01/822145501.db2.gz NNBPIUMBBINWNH-NHCUHLMSSA-N 1 0 387.474 4.224 20 0 GIADRO CCC(CC)[C@@H]1C[C@@H](NC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CCO1 ZINC000182215906 822151273 /nfs/dbraw/zinc/15/12/73/822151273.db2.gz COTGHVIMHPMQPC-FHWLQOOXSA-N 1 0 393.597 4.168 20 0 GIADRO Cc1cc(C)c(NC(=O)CCC[N@@H+]2CCN(CC(F)(F)F)CC2(C)C)c(C)c1 ZINC000182227613 822156267 /nfs/dbraw/zinc/15/62/67/822156267.db2.gz KBNOYFXUPXGACX-UHFFFAOYSA-N 1 0 399.501 4.289 20 0 GIADRO CCCCc1ccc([C@@H]([NH2+][C@H]2CCCS(=O)(=O)C2)c2cccs2)cc1 ZINC000182239578 822162228 /nfs/dbraw/zinc/16/22/28/822162228.db2.gz KEDRDNRAGHCEGC-AZUAARDMSA-N 1 0 377.575 4.347 20 0 GIADRO Cc1nc([C@H](N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c2ccccc2F)no1 ZINC000182246660 822166030 /nfs/dbraw/zinc/16/60/30/822166030.db2.gz UZZDBBGNYFPPCD-RRMPHLOHSA-N 1 0 380.467 4.032 20 0 GIADRO COc1cc([C@@H](C)[NH2+]C2(c3cccc(Cl)c3)CC2)ccc1S(C)(=O)=O ZINC000182257904 822172305 /nfs/dbraw/zinc/17/23/05/822172305.db2.gz JMTIRMZTOORLOW-CYBMUJFWSA-N 1 0 379.909 4.092 20 0 GIADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](c2ccc(Cl)cc2F)C(C)C)cc1 ZINC000182275568 822182453 /nfs/dbraw/zinc/18/24/53/822182453.db2.gz UDHZFCPMXADMSP-YJYMSZOUSA-N 1 0 398.931 4.435 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1ccc(SC(F)F)cc1)c1ccc2c(c1)OCO2 ZINC000182305758 822195705 /nfs/dbraw/zinc/19/57/05/822195705.db2.gz GWSKRPQVGKAWBI-NSHDSACASA-N 1 0 380.416 4.019 20 0 GIADRO Cc1ccc([C@H](C)[NH2+]CC(=O)NCc2cccc(COCc3ccco3)c2)cc1 ZINC000182329093 822204133 /nfs/dbraw/zinc/20/41/33/822204133.db2.gz PJXARMWKERFRTR-IBGZPJMESA-N 1 0 392.499 4.272 20 0 GIADRO CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2cccc(Br)c2)cc1 ZINC000182334953 822206071 /nfs/dbraw/zinc/20/60/71/822206071.db2.gz LCLJBAUVOYIUOF-CYBMUJFWSA-N 1 0 382.323 4.094 20 0 GIADRO CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2ccc(Br)cc2)cc1 ZINC000182337008 822207027 /nfs/dbraw/zinc/20/70/27/822207027.db2.gz JQYGNPKSEZAPSE-CYBMUJFWSA-N 1 0 382.323 4.094 20 0 GIADRO C[C@H](CCOc1ccccc1)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000182350719 822210740 /nfs/dbraw/zinc/21/07/40/822210740.db2.gz JXJZWXFGTUVCAT-LJQANCHMSA-N 1 0 395.547 4.261 20 0 GIADRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(Cl)c2Cl)c1 ZINC000182350220 822210774 /nfs/dbraw/zinc/21/07/74/822210774.db2.gz WHYHWNJTFIDTHD-WDEREUQCSA-N 1 0 383.275 4.385 20 0 GIADRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)c1 ZINC000182351121 822210875 /nfs/dbraw/zinc/21/08/75/822210875.db2.gz WJJXUNJPTIQPNU-RYUDHWBXSA-N 1 0 397.302 4.236 20 0 GIADRO O=C(Nc1ccccn1)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000182354365 822212199 /nfs/dbraw/zinc/21/21/99/822212199.db2.gz QPOFCDBLJRCYSB-UHFFFAOYSA-N 1 0 379.291 4.175 20 0 GIADRO CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000182355649 822213161 /nfs/dbraw/zinc/21/31/61/822213161.db2.gz AIJYLSZWUIKSIE-NRFANRHFSA-N 1 0 399.510 4.152 20 0 GIADRO Cc1ccc(OCCC(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)cc1C ZINC000182356888 822213651 /nfs/dbraw/zinc/21/36/51/822213651.db2.gz PDRIIOJXTBDGLG-UHFFFAOYSA-N 1 0 395.547 4.241 20 0 GIADRO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000182358404 822214021 /nfs/dbraw/zinc/21/40/21/822214021.db2.gz MZYRKTRUXVPIMG-UXHICEINSA-N 1 0 383.561 4.329 20 0 GIADRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)c1 ZINC000182359626 822214549 /nfs/dbraw/zinc/21/45/49/822214549.db2.gz LCVIQITZOKVAJP-NWDGAFQWSA-N 1 0 397.302 4.236 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)CC1 ZINC000182372157 822218983 /nfs/dbraw/zinc/21/89/83/822218983.db2.gz GDHPTZWTQGYWIV-UHFFFAOYSA-N 1 0 391.437 4.488 20 0 GIADRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000182384574 822223804 /nfs/dbraw/zinc/22/38/04/822223804.db2.gz CMKOPBFZRLFBPS-RYUDHWBXSA-N 1 0 382.382 4.097 20 0 GIADRO COc1ccc([C@H](CCO)[NH2+]Cc2c(-c3ccccc3)nc3ccccn32)cc1 ZINC000182397730 822229190 /nfs/dbraw/zinc/22/91/90/822229190.db2.gz UCLDRWPBHSYARR-NRFANRHFSA-N 1 0 387.483 4.223 20 0 GIADRO CC(C)Oc1cccc([C@H](C)NC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000182403965 822231634 /nfs/dbraw/zinc/23/16/34/822231634.db2.gz BTKDDNIIQIZDSG-CMKODMSKSA-N 1 0 387.568 4.487 20 0 GIADRO COc1ccc([C@@H](CCO)[NH2+]Cc2ccc(C(=O)Nc3ccccc3)cc2)cc1 ZINC000182406514 822231912 /nfs/dbraw/zinc/23/19/12/822231912.db2.gz VVVXVXVOFAUMBN-HSZRJFAPSA-N 1 0 390.483 4.161 20 0 GIADRO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000182418430 822235803 /nfs/dbraw/zinc/23/58/03/822235803.db2.gz GLZHEVVBRPWBPP-MAUKXSAKSA-N 1 0 390.530 4.002 20 0 GIADRO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000182418474 822235901 /nfs/dbraw/zinc/23/59/01/822235901.db2.gz GLZHEVVBRPWBPP-CRAIPNDOSA-N 1 0 390.530 4.002 20 0 GIADRO C[C@H]([NH2+]CC(=O)N1CCC[C@H](C(F)(F)F)C1)c1ccc(C(F)(F)F)cc1 ZINC000182452621 822247311 /nfs/dbraw/zinc/24/73/11/822247311.db2.gz RZEYRMFENOCEID-FZMZJTMJSA-N 1 0 382.348 4.157 20 0 GIADRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@H]1CCOc2c(Cl)cccc21 ZINC000177948691 822254511 /nfs/dbraw/zinc/25/45/11/822254511.db2.gz XTIOTABIYSZIAG-FZMZJTMJSA-N 1 0 380.275 4.219 20 0 GIADRO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+]Cc1cn(Cc2ccccc2)nc1C(C)(C)C ZINC000182484885 822261545 /nfs/dbraw/zinc/26/15/45/822261545.db2.gz JJBDQPUJSZPFON-QGZVFWFLSA-N 1 0 393.579 4.300 20 0 GIADRO Cc1c([C@@H](C)NCc2cccc(C[N@@H+](C)C(C)C)c2)nnn1-c1ccc(F)cc1 ZINC000177978671 822267495 /nfs/dbraw/zinc/26/74/95/822267495.db2.gz QDNFRUMKBWDQIM-QGZVFWFLSA-N 1 0 395.526 4.406 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]Cc2cccc(CN3CCCC3=O)c2)cc1 ZINC000177994119 822274335 /nfs/dbraw/zinc/27/43/35/822274335.db2.gz ZVBJUNWEPANLIL-GOSISDBHSA-N 1 0 388.515 4.154 20 0 GIADRO Cc1cc(C)c2c(c1)[C@@H]([NH2+]Cc1cccc(CN3CCCC3=O)c1)CCCO2 ZINC000177995495 822275419 /nfs/dbraw/zinc/27/54/19/822275419.db2.gz WZSYIVQNOZBFCY-QFIPXVFZSA-N 1 0 378.516 4.429 20 0 GIADRO COCCOc1ccc(C[NH2+][C@@H](C)c2cc(Br)ccc2F)cc1 ZINC000178000647 822277442 /nfs/dbraw/zinc/27/74/42/822277442.db2.gz QKSNOQDHXQWMQD-ZDUSSCGKSA-N 1 0 382.273 4.464 20 0 GIADRO CCCOc1ccc(NC(=O)N2CC[C@@H](C[N@H+](C)CC)C2)cc1OCCC ZINC000178002923 822277880 /nfs/dbraw/zinc/27/78/80/822277880.db2.gz RLRIBNTXDKFWDH-KRWDZBQOSA-N 1 0 377.529 4.070 20 0 GIADRO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@@H+]1CCCOCc1ccccc1 ZINC000182524862 822282757 /nfs/dbraw/zinc/28/27/57/822282757.db2.gz YUBLXIDRBGRGFL-OAQYLSRUSA-N 1 0 382.504 4.013 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+][C@@H]2CCSc3ccccc32)cc1 ZINC000178027732 822288699 /nfs/dbraw/zinc/28/86/99/822288699.db2.gz IREMVRYWKYKJJQ-RDTXWAMCSA-N 1 0 376.547 4.336 20 0 GIADRO C[C@@H]1C[N@@H+](CCCCNC(=O)N(c2ccccc2)c2ccccc2)C[C@H](C)O1 ZINC000182540567 822291414 /nfs/dbraw/zinc/29/14/14/822291414.db2.gz IHXTVWSEVIJDRC-BGYRXZFFSA-N 1 0 381.520 4.424 20 0 GIADRO C[C@@H]([NH2+]CCc1csc2ccccc12)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000178047772 822299083 /nfs/dbraw/zinc/29/90/83/822299083.db2.gz PPDSZKFUYZQSFX-CYBMUJFWSA-N 1 0 377.506 4.337 20 0 GIADRO Cc1cc(C)c(C(=O)N2CCC([N@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)[nH]1 ZINC000178048054 822299109 /nfs/dbraw/zinc/29/91/09/822299109.db2.gz CKOQRTMWSUESAN-UHFFFAOYSA-N 1 0 393.453 4.387 20 0 GIADRO C[C@H]([NH2+]CC1(c2ccc(Cl)cc2)CCOCC1)c1cn(-c2ccccc2)nn1 ZINC000178048726 822299596 /nfs/dbraw/zinc/29/95/96/822299596.db2.gz GTYZISYZIPKVBM-KRWDZBQOSA-N 1 0 396.922 4.320 20 0 GIADRO Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+]Cc1cccnc1-n1cncn1 ZINC000178049844 822300067 /nfs/dbraw/zinc/30/00/67/822300067.db2.gz MSCTZMLYSHXYHL-CYBMUJFWSA-N 1 0 394.479 4.084 20 0 GIADRO CCN(CC)C(=O)CCC1CC[NH+](Cc2cc(Cl)cc(C(C)=O)c2O)CC1 ZINC000182562316 822303407 /nfs/dbraw/zinc/30/34/07/822303407.db2.gz LDXBLXRFHWOIMC-UHFFFAOYSA-N 1 0 394.943 4.109 20 0 GIADRO C[C@H](c1ccc(F)cc1)[NH+]1CCC(OCCCNC(=O)OC(C)(C)C)CC1 ZINC000178066039 822307512 /nfs/dbraw/zinc/30/75/12/822307512.db2.gz JIZZBLQFZQGVSE-MRXNPFEDSA-N 1 0 380.504 4.283 20 0 GIADRO CCN(CC)C(=O)CCC1CC[NH+](Cc2cc(Br)cs2)CC1 ZINC000182575747 822309330 /nfs/dbraw/zinc/30/93/30/822309330.db2.gz PAAHLOBSUZSOPX-UHFFFAOYSA-N 1 0 387.387 4.371 20 0 GIADRO CC[C@H]([NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1)c1nccn1C ZINC000182579109 822310737 /nfs/dbraw/zinc/31/07/37/822310737.db2.gz NTIBIFGJUZTVIG-KRWDZBQOSA-N 1 0 381.442 4.228 20 0 GIADRO COc1ccc([C@H](C)[NH2+]C2CCN(C(=O)CC(C)C)CC2)cc1Br ZINC000178079578 822311230 /nfs/dbraw/zinc/31/12/30/822311230.db2.gz DBQQHIGDNUUALM-AWEZNQCLSA-N 1 0 397.357 4.145 20 0 GIADRO CC(C)CC(=O)N1CCC([NH2+][C@@H](C)c2cc(Br)ccc2F)CC1 ZINC000178082684 822311978 /nfs/dbraw/zinc/31/19/78/822311978.db2.gz VBDIYPOFOLLPGM-ZDUSSCGKSA-N 1 0 385.321 4.276 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)C[NH2+][C@@H](c2ccc(Cl)cc2)C2CCC2)c1 ZINC000182587569 822313512 /nfs/dbraw/zinc/31/35/12/822313512.db2.gz LJQIKMFIBPRKDU-OAQYLSRUSA-N 1 0 385.895 4.368 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@@H]2CCc3cc(F)ccc32)ccc1S(=O)(=O)C(F)F ZINC000178088821 822314591 /nfs/dbraw/zinc/31/45/91/822314591.db2.gz YHVCHEFHOGYZOQ-BDJLRTHQSA-N 1 0 399.434 4.169 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(-n2cccn2)cc1)c1ccc(OCc2nccn2C)cc1 ZINC000178089902 822315170 /nfs/dbraw/zinc/31/51/70/822315170.db2.gz HLRRBOHNVFBVBL-SFHVURJKSA-N 1 0 387.487 4.036 20 0 GIADRO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCc3c2cccc3Cl)c(OC)c1 ZINC000178090812 822315196 /nfs/dbraw/zinc/31/51/96/822315196.db2.gz RAJUFSUHRQSUPT-SCLBCKFNSA-N 1 0 388.895 4.351 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@@H]2CCc3c2cccc3Cl)ccc1S(C)(=O)=O ZINC000178091789 822315723 /nfs/dbraw/zinc/31/57/23/822315723.db2.gz PFHWJOPNDFYNBC-YVEFUNNKSA-N 1 0 379.909 4.090 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1cc(OC)ccc1OC)c1cccc(Cl)c1 ZINC000182594832 822316214 /nfs/dbraw/zinc/31/62/14/822316214.db2.gz YQBPOBKRFYUYAX-GUYCJALGSA-N 1 0 376.884 4.425 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCCc2nc(-c3ccc(F)cc3)sc21)C(=O)NC(C)(C)C ZINC000178097666 822318238 /nfs/dbraw/zinc/31/82/38/822318238.db2.gz PSOBDLQWBKWLBW-DOMZBBRYSA-N 1 0 375.513 4.219 20 0 GIADRO COCCOc1ccc([C@H](C)[NH2+][C@@H](c2ccccc2)[C@@H]2CCCO2)cc1OC ZINC000178121729 822326169 /nfs/dbraw/zinc/32/61/69/822326169.db2.gz BCRRMEHMGVKGAE-HYVJGQCMSA-N 1 0 385.504 4.291 20 0 GIADRO C[C@H](NC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1nc(C(C)(C)C)cs1 ZINC000182624769 822327241 /nfs/dbraw/zinc/32/72/41/822327241.db2.gz NGFMQXXEWRTOIG-HRCADAONSA-N 1 0 392.613 4.454 20 0 GIADRO COc1ccc(CN(C)C(=O)[C@H](C)[NH2+][C@H](C)c2cc3ccccc3o2)cc1F ZINC000182626256 822328400 /nfs/dbraw/zinc/32/84/00/822328400.db2.gz YBROFMNKBNXLGR-CABCVRRESA-N 1 0 384.451 4.278 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1cc2ccccc2o1)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000182627275 822328877 /nfs/dbraw/zinc/32/88/77/822328877.db2.gz HIVWMABZZQRYSE-JKSUJKDBSA-N 1 0 391.471 4.237 20 0 GIADRO Cc1cc(C)c(NC(=O)C[NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)c(C)c1 ZINC000178134628 822329235 /nfs/dbraw/zinc/32/92/35/822329235.db2.gz PTEBXUYBNSFMKH-GOSISDBHSA-N 1 0 379.504 4.028 20 0 GIADRO O=C(CC[N@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1)c1ccccc1 ZINC000182631083 822330877 /nfs/dbraw/zinc/33/08/77/822330877.db2.gz QCFYARBYGOKIPJ-GOSISDBHSA-N 1 0 379.435 4.328 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+]CCNC(=O)c2ccccc2Cl)cc1OCC ZINC000178172862 822341481 /nfs/dbraw/zinc/34/14/81/822341481.db2.gz NMXGVHFWUQAGRL-HNNXBMFYSA-N 1 0 390.911 4.218 20 0 GIADRO CCOc1cccc2cc([C@@H](C)[NH2+]CC(=O)Nc3cc(C)nn3C(C)(C)C)oc21 ZINC000182662856 822343291 /nfs/dbraw/zinc/34/32/91/822343291.db2.gz WSBSXXFHPSEUOL-OAHLLOKOSA-N 1 0 398.507 4.381 20 0 GIADRO CCCNC(=O)c1ccc(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1Cl ZINC000178176625 822343349 /nfs/dbraw/zinc/34/33/49/822343349.db2.gz MEPJHQZWLSNDPB-OAHLLOKOSA-N 1 0 391.943 4.073 20 0 GIADRO CC[C@H](C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000178183035 822345670 /nfs/dbraw/zinc/34/56/70/822345670.db2.gz KCLPYJOIABTNTD-KSMMKXTCSA-N 1 0 387.911 4.143 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000178190062 822347111 /nfs/dbraw/zinc/34/71/11/822347111.db2.gz DBRKZCSMBMFQLD-KBXCAEBGSA-N 1 0 397.523 4.367 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000178194690 822348718 /nfs/dbraw/zinc/34/87/18/822348718.db2.gz NHMGULZGDIQXLL-CRAIPNDOSA-N 1 0 379.533 4.228 20 0 GIADRO Cc1c([C@H](C)[NH2+]CC(=O)Nc2cccc(C)c2C)cnn1-c1ccc(F)cc1 ZINC000178196415 822349330 /nfs/dbraw/zinc/34/93/30/822349330.db2.gz NJPWZWRMYXZUFX-INIZCTEOSA-N 1 0 380.467 4.226 20 0 GIADRO COc1ccccc1CC(=O)N1CCC([NH2+][C@@H]2CCCc3cc(F)ccc32)CC1 ZINC000182700231 822354761 /nfs/dbraw/zinc/35/47/61/822354761.db2.gz HSYNHEQZLAXJSD-JOCHJYFZSA-N 1 0 396.506 4.035 20 0 GIADRO CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000178243716 822358056 /nfs/dbraw/zinc/35/80/56/822358056.db2.gz SMNQRCDNJLMQFD-IFXJQAMLSA-N 1 0 387.911 4.143 20 0 GIADRO CC(C)C(=O)Nc1ccc(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000045027356 822358250 /nfs/dbraw/zinc/35/82/50/822358250.db2.gz BGGWHUYDVWDXLH-UHFFFAOYSA-N 1 0 394.519 4.067 20 0 GIADRO C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)[NH2+][C@@H]1CCO[C@@H](c2nccn2C)C1 ZINC000453405520 822358683 /nfs/dbraw/zinc/35/86/83/822358683.db2.gz SSAHJUKRONPHHK-YRWGSWDYSA-N 1 0 398.334 4.393 20 0 GIADRO Cc1nc(C)c([C@H](C)[NH2+]Cc2ccc(OCCOc3ccccc3)nc2)s1 ZINC000178252063 822358785 /nfs/dbraw/zinc/35/87/85/822358785.db2.gz ZBLHYMFXZASOAI-HNNXBMFYSA-N 1 0 383.517 4.464 20 0 GIADRO CCOc1ccc([C@H](CC)[NH2+][C@@H]2CCO[C@H](c3nccn3C)C2)cc1OCC ZINC000453412197 822359308 /nfs/dbraw/zinc/35/93/08/822359308.db2.gz XVXJPGPJEZLRLC-LQWHRVPQSA-N 1 0 387.524 4.179 20 0 GIADRO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CCC1CC(F)(F)C1 ZINC000453412609 822359385 /nfs/dbraw/zinc/35/93/85/822359385.db2.gz IWCCKWZHALOQDR-LLVKDONJSA-N 1 0 380.357 4.327 20 0 GIADRO COC(=O)c1ccc(C[NH2+][C@H](C)c2sc(-c3ccc(OC)cc3)nc2C)o1 ZINC000178256304 822359536 /nfs/dbraw/zinc/35/95/36/822359536.db2.gz ICEWOSYRTYLCKD-GFCCVEGCSA-N 1 0 386.473 4.358 20 0 GIADRO CSc1ccc(C)c(C(=O)N2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000178257803 822359828 /nfs/dbraw/zinc/35/98/28/822359828.db2.gz WLCIDEDFSXAQLY-HDICACEKSA-N 1 0 390.593 4.068 20 0 GIADRO Cc1nc2c(s1)[C@@H]([NH2+][C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1)CCC2 ZINC000453422883 822360607 /nfs/dbraw/zinc/36/06/07/822360607.db2.gz XNFQGSULPLDKMB-RYQLBKOJSA-N 1 0 395.494 4.449 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCO[C@@H](c2cccs2)C1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000453423998 822360751 /nfs/dbraw/zinc/36/07/51/822360751.db2.gz MWSOMOPVJNAORM-RQGSJKACSA-N 1 0 386.561 4.020 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCO[C@@H](c2cccs2)C1)[C@H](c1ccccc1)N1CCOCC1 ZINC000453423992 822360895 /nfs/dbraw/zinc/36/08/95/822360895.db2.gz MWSOMOPVJNAORM-JWUVWSEFSA-N 1 0 386.561 4.020 20 0 GIADRO Cc1ccc(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c(Cl)n1 ZINC000045078767 822361491 /nfs/dbraw/zinc/36/14/91/822361491.db2.gz WUNLONUQFGWXKH-UHFFFAOYSA-N 1 0 378.303 4.091 20 0 GIADRO Cc1cc([C@@H](C)[NH2+]CCC(=O)Nc2ccc(N3CCCC3=O)cc2)c(C)s1 ZINC000182750049 822361895 /nfs/dbraw/zinc/36/18/95/822361895.db2.gz VEOGPVQGCMZVDP-OAHLLOKOSA-N 1 0 385.533 4.171 20 0 GIADRO Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)CCCO2 ZINC000178277346 822362367 /nfs/dbraw/zinc/36/23/67/822362367.db2.gz KUXXWYOYIGXSSE-IBGZPJMESA-N 1 0 393.936 4.197 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(OC(F)F)cc1)c1ccc(OCc2nccn2C)cc1 ZINC000178281682 822362889 /nfs/dbraw/zinc/36/28/89/822362889.db2.gz AIMUNBFJEKNCGB-OAHLLOKOSA-N 1 0 387.430 4.451 20 0 GIADRO C[C@@H](NC(=O)NCc1cccc(-c2ccccn2)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182759851 822363369 /nfs/dbraw/zinc/36/33/69/822363369.db2.gz QCARTUNSDFVPMR-WIYYLYMNSA-N 1 0 392.547 4.201 20 0 GIADRO CC1(C)C[C@@H](C[NH2+]C2CCN(Cc3ccccc3Br)CC2)CCO1 ZINC000453441586 822363539 /nfs/dbraw/zinc/36/35/39/822363539.db2.gz WTSCEGNJVUMSFE-INIZCTEOSA-N 1 0 395.385 4.208 20 0 GIADRO COCCC[C@H]([NH2+]CCc1ccc(C)cn1)c1ccc(Br)cc1 ZINC000453441163 822363573 /nfs/dbraw/zinc/36/35/73/822363573.db2.gz XIJXCGZFQLRSLY-IBGZPJMESA-N 1 0 377.326 4.453 20 0 GIADRO COCCC[C@@H]([NH2+]CCc1ccc(C)cn1)c1ccc(Br)cc1 ZINC000453441167 822363590 /nfs/dbraw/zinc/36/35/90/822363590.db2.gz XIJXCGZFQLRSLY-LJQANCHMSA-N 1 0 377.326 4.453 20 0 GIADRO CC1CC[NH+](CCCNC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)CC1 ZINC000045122407 822364181 /nfs/dbraw/zinc/36/41/81/822364181.db2.gz DCOJAGWVYBJNFY-GOSISDBHSA-N 1 0 386.565 4.265 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H](C)c1cc(OC)ccc1OC ZINC000045132344 822365001 /nfs/dbraw/zinc/36/50/01/822365001.db2.gz KMRSYKZGUOHAOZ-KRWDZBQOSA-N 1 0 399.535 4.106 20 0 GIADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]Cc1ccc(Oc2ccccc2)nc1 ZINC000178299763 822365070 /nfs/dbraw/zinc/36/50/70/822365070.db2.gz VEIXXOGZTQWJFD-AWEZNQCLSA-N 1 0 387.281 4.011 20 0 GIADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2CCc3cc(F)ccc32)cc1 ZINC000178339662 822368641 /nfs/dbraw/zinc/36/86/41/822368641.db2.gz UJWBMLPYALHZEH-YCRPNKLZSA-N 1 0 390.524 4.194 20 0 GIADRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)c2sc(C)nc2C)cc1 ZINC000178340245 822368944 /nfs/dbraw/zinc/36/89/44/822368944.db2.gz CHOKGEQXFZZAHO-KGLIPLIRSA-N 1 0 395.594 4.202 20 0 GIADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)c2sc(C)nc2C)cc1 ZINC000178340254 822368956 /nfs/dbraw/zinc/36/89/56/822368956.db2.gz CHOKGEQXFZZAHO-KBPBESRZSA-N 1 0 395.594 4.202 20 0 GIADRO CCCCOc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccnc2C)cc1OC ZINC000453462858 822369194 /nfs/dbraw/zinc/36/91/94/822369194.db2.gz XKRPLKDMNULISA-RDJZCZTQSA-N 1 0 385.508 4.255 20 0 GIADRO CCn1c([C@@H]2CC[C@H](C)O2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000453462702 822369276 /nfs/dbraw/zinc/36/92/76/822369276.db2.gz JCEGQHPUDIUSRV-QIJZPMMNSA-N 1 0 397.567 4.027 20 0 GIADRO COc1cc(C[NH2+][C@@H](C)c2cc(C)ccc2OC(F)F)cc(OC)c1OC ZINC000178378480 822372969 /nfs/dbraw/zinc/37/29/69/822372969.db2.gz QFDBTWFEHKAKRC-ZDUSSCGKSA-N 1 0 381.419 4.473 20 0 GIADRO COc1ccccc1[C@H](NC(=O)Nc1cccc(C[NH+](C)C)c1)c1ccco1 ZINC000178390316 822374521 /nfs/dbraw/zinc/37/45/21/822374521.db2.gz USWJAYOHXZOHMM-NRFANRHFSA-N 1 0 379.460 4.261 20 0 GIADRO C[C@H](NC(=O)N1CC[C@H](Cc2ccc(F)cc2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182835698 822375530 /nfs/dbraw/zinc/37/55/30/822375530.db2.gz JTFCDRHXFOTJQB-SXLOBPIMSA-N 1 0 387.543 4.053 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2Cl)c1cccc(N2CCCS2(=O)=O)c1 ZINC000178406258 822376304 /nfs/dbraw/zinc/37/63/04/822376304.db2.gz BHKULGKZYNZCPP-JLTOFOAXSA-N 1 0 390.936 4.218 20 0 GIADRO C[C@H](NC(=O)Nc1cccc(OC(F)(F)F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182840422 822376457 /nfs/dbraw/zinc/37/64/57/822376457.db2.gz ZWCJQNMQOVFVSV-KBPBESRZSA-N 1 0 385.430 4.360 20 0 GIADRO C[C@@H](NC(=O)N1CCC(OCC2CCCC2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182843247 822377015 /nfs/dbraw/zinc/37/70/15/822377015.db2.gz VQRNCXVEBVUROJ-UYAOXDASSA-N 1 0 391.600 4.020 20 0 GIADRO C[C@@H](NC(=O)Nc1cccc(OCC(F)(F)F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182845821 822377636 /nfs/dbraw/zinc/37/76/36/822377636.db2.gz NDCMLEACQFOBMJ-HUUCEWRRSA-N 1 0 399.457 4.402 20 0 GIADRO Clc1ccccc1CN1CCC([NH2+]Cc2cccc(-n3ccnc3)c2)CC1 ZINC000045321513 822378691 /nfs/dbraw/zinc/37/86/91/822378691.db2.gz UOQBZYWSCNTHGS-UHFFFAOYSA-N 1 0 380.923 4.280 20 0 GIADRO Cc1ccc2c(C[N@@H+]3CCC[C@H](n4ccc(C(F)(F)F)n4)C3)cc(=O)oc2c1 ZINC000182850262 822378739 /nfs/dbraw/zinc/37/87/39/822378739.db2.gz JGKYVUBIHJXLRJ-HNNXBMFYSA-N 1 0 391.393 4.154 20 0 GIADRO O=C(Nc1ccccc1SC(F)F)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000178432477 822378759 /nfs/dbraw/zinc/37/87/59/822378759.db2.gz YSYHTJRFKAFULY-CZUORRHYSA-N 1 0 381.492 4.482 20 0 GIADRO O=C(Nc1ccc2c3c(cccc31)CC2)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000178434593 822378961 /nfs/dbraw/zinc/37/89/61/822378961.db2.gz QMUASRODZLOXLQ-AVRDEDQJSA-N 1 0 375.516 4.419 20 0 GIADRO CC[C@H](C)c1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1Cc1cccs1 ZINC000453502433 822379385 /nfs/dbraw/zinc/37/93/85/822379385.db2.gz RCXWMSRHWAHZQV-SJORKVTESA-N 1 0 387.597 4.212 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCCCC1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000182861482 822381130 /nfs/dbraw/zinc/38/11/30/822381130.db2.gz BUWACWAVWSZNNE-JOCHJYFZSA-N 1 0 395.551 4.223 20 0 GIADRO C[C@H](NC(=O)N(Cc1ccc(F)cc1)CC1CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182862895 822381372 /nfs/dbraw/zinc/38/13/72/822381372.db2.gz WBTLIAPGLQFAQD-FXAWDEMLSA-N 1 0 387.543 4.400 20 0 GIADRO CCN(CC)[C@H](C[NH2+][C@H](C)c1ccc([S@](C)=O)cc1)c1cccc(OC)c1 ZINC000178463224 822381416 /nfs/dbraw/zinc/38/14/16/822381416.db2.gz WQGQEFVXBUYTEU-NZBDPPQNSA-N 1 0 388.577 4.166 20 0 GIADRO C[C@H](NC(=O)Nc1ccc(N2CCCC2)c(F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182868900 822382584 /nfs/dbraw/zinc/38/25/84/822382584.db2.gz IGSUIMYAWSGWOF-IRXDYDNUSA-N 1 0 388.531 4.200 20 0 GIADRO CCC[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(OC)cc1 ZINC000178487506 822384451 /nfs/dbraw/zinc/38/44/51/822384451.db2.gz TYWMXSMGJDJXRM-HRAATJIYSA-N 1 0 390.549 4.138 20 0 GIADRO Cc1ccc(CN(CCc2ccccc2)C(=O)NC2CC[NH+](C3CC3)CC2)s1 ZINC000045410523 822385570 /nfs/dbraw/zinc/38/55/70/822385570.db2.gz RCHJPXSZTKYNOX-UHFFFAOYSA-N 1 0 397.588 4.438 20 0 GIADRO CCOc1ccc(CCC2CCN(C(=O)NC3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC000045409444 822385627 /nfs/dbraw/zinc/38/56/27/822385627.db2.gz CVQVYWDUWDMPLR-UHFFFAOYSA-N 1 0 399.579 4.066 20 0 GIADRO CCC[C@H]([NH2+][C@H](C)c1sc(C)nc1C)C(=O)N1CCc2sccc2C1 ZINC000178503556 822385861 /nfs/dbraw/zinc/38/58/61/822385861.db2.gz VUDHRZCERMTFEA-CJNGLKHVSA-N 1 0 377.579 4.226 20 0 GIADRO COc1cc(OC)c([C@H](C)[NH2+]Cc2ccc(Cn3cccn3)cc2)cc1Cl ZINC000178505770 822386192 /nfs/dbraw/zinc/38/61/92/822386192.db2.gz JONGROHULANSAZ-HNNXBMFYSA-N 1 0 385.895 4.453 20 0 GIADRO [NH3+]C[C@@H]1CCN(C(=O)c2c3ccccc3nc3c2CCC/C3=C/c2ccco2)C1 ZINC000178523654 822387672 /nfs/dbraw/zinc/38/76/72/822387672.db2.gz KATWRHURVAKGQB-MUBYSKIDSA-N 1 0 387.483 4.126 20 0 GIADRO Clc1ccc2c(c1)[C@H]([NH2+]CCCc1nnc3n1CCCCC3)CCS2 ZINC000178526019 822387909 /nfs/dbraw/zinc/38/79/09/822387909.db2.gz HALFRYYOCTZNAY-MRXNPFEDSA-N 1 0 376.957 4.417 20 0 GIADRO Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000178530274 822388465 /nfs/dbraw/zinc/38/84/65/822388465.db2.gz UMFNUCITTPABCM-WBVHZDCISA-N 1 0 389.952 4.328 20 0 GIADRO Cc1ccc(C[NH+]2CCC3(CC2)OCCc2ccccc23)c(-c2cnn(C)c2)c1 ZINC000453584286 822388516 /nfs/dbraw/zinc/38/85/16/822388516.db2.gz ZTSALZWJPNFHRD-UHFFFAOYSA-N 1 0 387.527 4.460 20 0 GIADRO C[C@H](NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182899914 822388887 /nfs/dbraw/zinc/38/88/87/822388887.db2.gz ACYHLWFNXMHHRR-STQMWFEESA-N 1 0 380.876 4.023 20 0 GIADRO CC1(C)C[C@H](C[NH2+]Cc2ccc(OC(F)F)c(Br)c2)CCO1 ZINC000453586767 822389038 /nfs/dbraw/zinc/38/90/38/822389038.db2.gz VYNVWZMGSFVWEN-GFCCVEGCSA-N 1 0 378.257 4.345 20 0 GIADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+][C@@H](C)Cc1cc(F)cc(OC)c1 ZINC000453593517 822390079 /nfs/dbraw/zinc/39/00/79/822390079.db2.gz JSDPLNNLXMQGFE-ZDUSSCGKSA-N 1 0 399.915 4.002 20 0 GIADRO C[C@@H](NC(=O)Nc1ccccc1Br)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182908625 822390627 /nfs/dbraw/zinc/39/06/27/822390627.db2.gz OLIADJXOOROEIC-ZIAGYGMSSA-N 1 0 380.330 4.224 20 0 GIADRO C[C@@H](NC(=O)N1CCc2c(Cl)cccc2C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182910192 822390932 /nfs/dbraw/zinc/39/09/32/822390932.db2.gz FPAKOGSHRVSJDN-CVEARBPZSA-N 1 0 375.944 4.061 20 0 GIADRO CCOc1ccc(OCC)c(NC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000182914895 822391850 /nfs/dbraw/zinc/39/18/50/822391850.db2.gz QBDMYRKGVCFWFC-IAGOWNOFSA-N 1 0 389.540 4.259 20 0 GIADRO CC(C)Oc1cccc(CN(C)C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000182916959 822392312 /nfs/dbraw/zinc/39/23/12/822392312.db2.gz UWODIVLCIVKFFL-QUCCMNQESA-N 1 0 387.568 4.268 20 0 GIADRO C[C@H](NC(=O)N(CCc1cccc(F)c1)C1CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182919347 822392798 /nfs/dbraw/zinc/39/27/98/822392798.db2.gz YUPZUPXZCRUOED-PKOBYXMFSA-N 1 0 387.543 4.195 20 0 GIADRO CCC1C[NH+](Cc2ccc(OCC(=O)Nc3ccccc3Cl)c(OC)c2)C1 ZINC000453611082 822392844 /nfs/dbraw/zinc/39/28/44/822392844.db2.gz YWCYJIQURVGTCF-UHFFFAOYSA-N 1 0 388.895 4.208 20 0 GIADRO Cc1nc(-c2ccccc2)c(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000178572372 822392940 /nfs/dbraw/zinc/39/29/40/822392940.db2.gz OKKQVYPEAJKENY-MJGOQNOKSA-N 1 0 381.545 4.207 20 0 GIADRO CCN(CC)C(=O)c1cccc(NC(=O)C[NH2+][C@@H](C)c2cc(C)cc(C)c2)c1 ZINC000182920174 822393005 /nfs/dbraw/zinc/39/30/05/822393005.db2.gz IOUFGTHDCYRCNC-SFHVURJKSA-N 1 0 381.520 4.075 20 0 GIADRO COc1cccc([C@H](CNC(=O)[C@H]2CCCc3ccccc32)[NH+]2CCCC2)c1 ZINC000045528278 822393706 /nfs/dbraw/zinc/39/37/06/822393706.db2.gz RYHDFIUXXXQAAU-GOTSBHOMSA-N 1 0 378.516 4.068 20 0 GIADRO COCc1ccsc1C(=O)N(c1cccc(SC)c1)C1CC[NH+](C)CC1 ZINC000182926981 822394312 /nfs/dbraw/zinc/39/43/12/822394312.db2.gz YZCZYXNHTHDMNY-UHFFFAOYSA-N 1 0 390.574 4.357 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)N1CCC(C(=O)c2ccccc2)CC1)CC(C)C ZINC000045537818 822394457 /nfs/dbraw/zinc/39/44/57/822394457.db2.gz NLTLIPCJHMPBNZ-NRFANRHFSA-N 1 0 387.568 4.047 20 0 GIADRO C[C@H](NC(=O)N(C)Cc1ccc(OC(F)F)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182927144 822394507 /nfs/dbraw/zinc/39/45/07/822394507.db2.gz LSWLGKOIQRLNCL-RDJZCZTQSA-N 1 0 395.494 4.082 20 0 GIADRO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000453621151 822394501 /nfs/dbraw/zinc/39/45/01/822394501.db2.gz UBFGTFDPRMGJMG-VLIAUNLRSA-N 1 0 399.922 4.047 20 0 GIADRO C[C@H](NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000045541206 822394714 /nfs/dbraw/zinc/39/47/14/822394714.db2.gz SHUALGOUSFKFDW-LRDDRELGSA-N 1 0 385.455 4.430 20 0 GIADRO C[C@@H](NC(=O)NC[C@H](c1ccsc1)[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000045541209 822394744 /nfs/dbraw/zinc/39/47/44/822394744.db2.gz SHUALGOUSFKFDW-MLGOLLRUSA-N 1 0 385.455 4.430 20 0 GIADRO Cc1cc(CN(C)C(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)no1 ZINC000045567925 822395870 /nfs/dbraw/zinc/39/58/70/822395870.db2.gz GZTOUDCONZUTDJ-UHFFFAOYSA-N 1 0 392.503 4.053 20 0 GIADRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)C1(c2ccc(F)cc2F)CCC1 ZINC000182945530 822397653 /nfs/dbraw/zinc/39/76/53/822397653.db2.gz AFXCZZLJWVZVHZ-UHFFFAOYSA-N 1 0 398.497 4.210 20 0 GIADRO COc1cc(NC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(OC)cc1Cl ZINC000182949360 822398522 /nfs/dbraw/zinc/39/85/22/822398522.db2.gz OUQHFXQAVWLTQM-KGLIPLIRSA-N 1 0 395.931 4.132 20 0 GIADRO C[N@@H+]1CCC[C@@H]2CN(Cc3csc(COc4ccc(Cl)cc4)n3)CC[C@@H]21 ZINC000178640104 822398685 /nfs/dbraw/zinc/39/86/85/822398685.db2.gz DDDUVQXDCJDTHT-BEFAXECRSA-N 1 0 391.968 4.292 20 0 GIADRO C[C@H](NC(=O)N(Cc1ccco1)Cc1ccco1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182952034 822398891 /nfs/dbraw/zinc/39/88/91/822398891.db2.gz ZYFAVUJIIVCQPL-ROUUACIJSA-N 1 0 385.508 4.237 20 0 GIADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)Nc2nc3c(s2)CCCCC3)CC1 ZINC000178646746 822399133 /nfs/dbraw/zinc/39/91/33/822399133.db2.gz UOFHHFCCOYRXIP-OAHLLOKOSA-N 1 0 399.564 4.154 20 0 GIADRO OCC[C@H](C[NH2+][C@H]1CCCOc2c(Br)cccc21)c1ccccc1 ZINC000178648553 822399444 /nfs/dbraw/zinc/39/94/44/822399444.db2.gz AIRRWIRZYIQLQP-APWZRJJASA-N 1 0 390.321 4.419 20 0 GIADRO COc1cc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)ccc1OC1CCCC1 ZINC000045611475 822399944 /nfs/dbraw/zinc/39/99/44/822399944.db2.gz FOFFEERYVDGISQ-QGZVFWFLSA-N 1 0 388.533 4.111 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1ccc(I)cc1 ZINC000178654403 822399942 /nfs/dbraw/zinc/39/99/42/822399942.db2.gz BFCOFLYOPJWZLW-RHSMWYFYSA-N 1 0 395.284 4.108 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)C(=O)Nc3ccc(C(C)(C)C)cc3)ccc21 ZINC000453689052 822400944 /nfs/dbraw/zinc/40/09/44/822400944.db2.gz FFGGPBQIJJUGNU-FQEVSTJZSA-N 1 0 379.504 4.110 20 0 GIADRO CC[C@@H](C)N(Cc1ccccc1)C(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000453698237 822401502 /nfs/dbraw/zinc/40/15/02/822401502.db2.gz XMODCPBPEHBYMQ-VGSWGCGISA-N 1 0 393.531 4.001 20 0 GIADRO C[C@H](NC(=O)NC1CCC(C[NH+](C)C)CC1)c1cccc(OC(F)(F)F)c1 ZINC000178691281 822403214 /nfs/dbraw/zinc/40/32/14/822403214.db2.gz HQSLZYZXDVYFAW-HLIUYOAVSA-N 1 0 387.446 4.066 20 0 GIADRO Cc1cccc(C)c1NC(=O)CN1CC[NH+]([C@@H](C)CCc2cccc(F)c2)CC1 ZINC000182984756 822405002 /nfs/dbraw/zinc/40/50/02/822405002.db2.gz ZJLQFCFUVJRXCZ-FQEVSTJZSA-N 1 0 397.538 4.020 20 0 GIADRO COc1ccc(CN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(Cl)s2)cc1OC ZINC000182984899 822405225 /nfs/dbraw/zinc/40/52/25/822405225.db2.gz BAAFUEBDCNFXBY-QWHCGFSZSA-N 1 0 396.940 4.116 20 0 GIADRO Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)NC[C@@H]3CCC[N@@H+](CC(C)C)C3)nc2c1 ZINC000178729778 822405939 /nfs/dbraw/zinc/40/59/39/822405939.db2.gz WGIRWIYWHBECFU-RXVVDRJESA-N 1 0 397.567 4.086 20 0 GIADRO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000178747319 822406932 /nfs/dbraw/zinc/40/69/32/822406932.db2.gz QDPPQAFJYGDOFZ-INIZCTEOSA-N 1 0 386.517 4.111 20 0 GIADRO Cc1c([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(F)c2)cnn1-c1ccc(F)cc1 ZINC000182995001 822407820 /nfs/dbraw/zinc/40/78/20/822407820.db2.gz ILXNNHYWXZRQOM-ZIAGYGMSSA-N 1 0 384.430 4.137 20 0 GIADRO Cc1cc(C)c(CCNC(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)c(C)c1 ZINC000178774913 822408752 /nfs/dbraw/zinc/40/87/52/822408752.db2.gz ABRITQHTQKHXTM-HXUWFJFHSA-N 1 0 394.563 4.074 20 0 GIADRO CCSc1ccccc1[C@@H](C)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000183001786 822408946 /nfs/dbraw/zinc/40/89/46/822408946.db2.gz WBVJSAJJYJEEFR-OXQOHEQNSA-N 1 0 383.561 4.421 20 0 GIADRO C[C@@H](Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1)c1ccccc1C(F)(F)F ZINC000183002757 822409216 /nfs/dbraw/zinc/40/92/16/822409216.db2.gz QILKSBJZNPTIIX-AUUYWEPGSA-N 1 0 391.437 4.328 20 0 GIADRO CN(Cc1ccc2ccccc2c1)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000045754148 822410658 /nfs/dbraw/zinc/41/06/58/822410658.db2.gz SMGKUDRNMPVPNS-UHFFFAOYSA-N 1 0 388.515 4.041 20 0 GIADRO Cc1ccc(NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)cc1C(F)(F)F ZINC000045755737 822410666 /nfs/dbraw/zinc/41/06/66/822410666.db2.gz DLRZHTDWVVEVEF-UHFFFAOYSA-N 1 0 392.425 4.195 20 0 GIADRO Cc1ccc(-c2csc(NC(=O)[C@H](C)N3CC[NH+](C4CCCC4)CC3)n2)cc1 ZINC000045768681 822411648 /nfs/dbraw/zinc/41/16/48/822411648.db2.gz SRAYJTTYGRCZCG-KRWDZBQOSA-N 1 0 398.576 4.006 20 0 GIADRO O=C(Nc1ncc(Cc2ccccc2)s1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000178806072 822412232 /nfs/dbraw/zinc/41/22/32/822412232.db2.gz LHAIHSIFPBCKSX-FXAWDEMLSA-N 1 0 396.560 4.215 20 0 GIADRO COc1ccccc1CN(C)C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000045777680 822412564 /nfs/dbraw/zinc/41/25/64/822412564.db2.gz FTQJWPZBEFXNLR-UHFFFAOYSA-N 1 0 395.547 4.269 20 0 GIADRO Cc1noc(C)c1CN(C)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000045779062 822412628 /nfs/dbraw/zinc/41/26/28/822412628.db2.gz FLKRTBWUAAESRJ-INIZCTEOSA-N 1 0 384.524 4.007 20 0 GIADRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1cnc(-c2ccncc2)s1 ZINC000178819719 822413595 /nfs/dbraw/zinc/41/35/95/822413595.db2.gz YIYKNFUPJGNFLP-UHFFFAOYSA-N 1 0 378.501 4.362 20 0 GIADRO Cc1ccc(-n2cc(C(=O)N3CCC([C@H](C)[NH3+])CC3)c(-c3ccccc3)n2)cc1 ZINC000178819426 822413604 /nfs/dbraw/zinc/41/36/04/822413604.db2.gz FBFGMXPUCVQXGR-SFHVURJKSA-N 1 0 388.515 4.047 20 0 GIADRO Cc1ccc(N2CCC(C(=O)Nc3cc(C[NH+]4CCCC4)ccc3C)CC2)nc1 ZINC000178818992 822413614 /nfs/dbraw/zinc/41/36/14/822413614.db2.gz ZEZARFWOBDMROE-UHFFFAOYSA-N 1 0 392.547 4.149 20 0 GIADRO CCOc1cc(NC(=O)NCc2ccccc2C[N@H+](C)C(C)C)ccc1OC ZINC000045789843 822414051 /nfs/dbraw/zinc/41/40/51/822414051.db2.gz LXLXGPGYEVXDTK-UHFFFAOYSA-N 1 0 385.508 4.256 20 0 GIADRO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1C ZINC000045812910 822415690 /nfs/dbraw/zinc/41/56/90/822415690.db2.gz IBLCYGNYPZMCJK-IAGOWNOFSA-N 1 0 379.504 4.330 20 0 GIADRO CSc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1 ZINC000045813173 822415814 /nfs/dbraw/zinc/41/58/14/822415814.db2.gz FIFZCVRZRPOFIQ-LSDHHAIUSA-N 1 0 397.544 4.435 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1cccc(NC(=O)c2cccs2)c1)c1cccs1 ZINC000045823890 822416905 /nfs/dbraw/zinc/41/69/05/822416905.db2.gz QZTXRIAVEWVUPN-INIZCTEOSA-N 1 0 399.541 4.095 20 0 GIADRO Cc1cc(-c2nc3ccc(F)cc3n2C(C)C)ccc1NC(=O)[C@@H]1CCC[NH2+]1 ZINC000178871043 822417944 /nfs/dbraw/zinc/41/79/44/822417944.db2.gz NXQYAUAGMMYAOJ-IBGZPJMESA-N 1 0 380.467 4.422 20 0 GIADRO COc1cc(-c2ccccc2)ccc1C[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000183057721 822418318 /nfs/dbraw/zinc/41/83/18/822418318.db2.gz ZOAOJVOIZBRPLD-UHFFFAOYSA-N 1 0 378.438 4.479 20 0 GIADRO CN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2cn(C)nc2C2CCCCC2)CC1 ZINC000183063069 822419174 /nfs/dbraw/zinc/41/91/74/822419174.db2.gz XQDFNZYSYUNKSB-UHFFFAOYSA-N 1 0 390.572 4.299 20 0 GIADRO COc1cccc([C@@H](CNC(=O)c2c[nH]cc2-c2ccccc2)[NH+]2CCCC2)c1 ZINC000045857706 822419336 /nfs/dbraw/zinc/41/93/36/822419336.db2.gz DLLWBJNREJRRFJ-HSZRJFAPSA-N 1 0 389.499 4.257 20 0 GIADRO C[NH+]1CCN(Cc2cccc(NC(=O)CC3CCC(C(F)(F)F)CC3)c2)CC1 ZINC000183066193 822419635 /nfs/dbraw/zinc/41/96/35/822419635.db2.gz PVRFJCNBSZZKNN-UHFFFAOYSA-N 1 0 397.485 4.131 20 0 GIADRO CCSCc1ccc(NC(=O)C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)cc1 ZINC000453933031 822419695 /nfs/dbraw/zinc/41/96/95/822419695.db2.gz AQEIRUQKRAZMPQ-HXUWFJFHSA-N 1 0 397.544 4.066 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)C(=O)Nc3ccccc3NC(C)(C)C)ccc21 ZINC000453953915 822420134 /nfs/dbraw/zinc/42/01/34/822420134.db2.gz RAPWZDMZCQGAQF-HXUWFJFHSA-N 1 0 394.519 4.023 20 0 GIADRO COc1cccc(C[C@@H](Nc2cccc(C[NH+]3CCC(CO)CC3)c2)C2CC2)c1 ZINC000183076402 822421363 /nfs/dbraw/zinc/42/13/63/822421363.db2.gz SXMDAZYUPULNSJ-RUZDIDTESA-N 1 0 394.559 4.333 20 0 GIADRO COc1cc(-c2ccccc2)ccc1C[NH2+][C@@H](C)Cn1ncc2ccccc2c1=O ZINC000183087264 822423135 /nfs/dbraw/zinc/42/31/35/822423135.db2.gz CIXFLLJKIXJEHD-SFHVURJKSA-N 1 0 399.494 4.250 20 0 GIADRO C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(F)cc2-c2ccc(Cl)c(Cl)c2)C1 ZINC000178968286 822425191 /nfs/dbraw/zinc/42/51/91/822425191.db2.gz IHUYKYANBURCLA-LBPRGKRZSA-N 1 0 381.278 4.481 20 0 GIADRO Cc1[nH]c2ccccc2c1C1=CC[N@H+](C[C@@H](O)COCc2cccs2)CC1 ZINC000178970227 822425378 /nfs/dbraw/zinc/42/53/78/822425378.db2.gz MHUDLKYIPAJASY-GOSISDBHSA-N 1 0 382.529 4.205 20 0 GIADRO CC1CC[NH+](C2CCC(NC(=O)NCc3nccc4ccccc43)CC2)CC1 ZINC000178976142 822425616 /nfs/dbraw/zinc/42/56/16/822425616.db2.gz OGLOFRGKJHLWKX-UHFFFAOYSA-N 1 0 380.536 4.077 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000045947524 822426157 /nfs/dbraw/zinc/42/61/57/822426157.db2.gz CEFBAIXHGIFGGF-MRXNPFEDSA-N 1 0 381.476 4.111 20 0 GIADRO Cc1onc(-c2ccccc2Cl)c1C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000183113964 822426268 /nfs/dbraw/zinc/42/62/68/822426268.db2.gz KZOILBVSBSJJDZ-AWEZNQCLSA-N 1 0 375.900 4.298 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1ccc(Br)cc1F ZINC000045957583 822426898 /nfs/dbraw/zinc/42/68/98/822426898.db2.gz AVBBPEROZZQJOW-CYBMUJFWSA-N 1 0 386.309 4.364 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cnc2ccc(F)cc2c1 ZINC000178994888 822427566 /nfs/dbraw/zinc/42/75/66/822427566.db2.gz PBJHWXHUMXBXIG-LJQANCHMSA-N 1 0 391.490 4.358 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)[NH2+]CC(=O)N[C@H](c2ccccc2)C2CC2)cc1 ZINC000183138919 822429492 /nfs/dbraw/zinc/42/94/92/822429492.db2.gz YXECMROFVGEKGO-BXKMTCNYSA-N 1 0 388.515 4.099 20 0 GIADRO O=C(NC1CC[NH+](Cc2cccnc2)CC1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000179011362 822429911 /nfs/dbraw/zinc/42/99/11/822429911.db2.gz PQSNZXVCDVHABR-UHFFFAOYSA-N 1 0 397.828 4.148 20 0 GIADRO C[S@@](=O)C[C@@H]([NH2+]Cc1ccc(C(=O)Nc2ccccc2)cc1)c1ccccc1 ZINC000183140990 822430040 /nfs/dbraw/zinc/43/00/40/822430040.db2.gz HHFHGEUVJXOXBR-SKCUWOTOSA-N 1 0 392.524 4.148 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(SC(=O)N(C)C)cc1)c1ccccc1-n1cccn1 ZINC000183141138 822430055 /nfs/dbraw/zinc/43/00/55/822430055.db2.gz OBEBKMSQBXQFGZ-MRXNPFEDSA-N 1 0 380.517 4.497 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)N(C)Cc2nc3ccccc3s2)c1 ZINC000045987316 822430749 /nfs/dbraw/zinc/43/07/49/822430749.db2.gz ONKULPNVVRZYAU-UHFFFAOYSA-N 1 0 396.560 4.480 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)[NH2+]CC(=O)Nc2sc(C)c(C)c2C)cc1 ZINC000183157090 822433079 /nfs/dbraw/zinc/43/30/79/822433079.db2.gz QFUCJOPSNOSBPA-HNNXBMFYSA-N 1 0 382.533 4.457 20 0 GIADRO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[NH2+][C@@H](C)c1ccccc1-n1cccn1 ZINC000183158527 822433090 /nfs/dbraw/zinc/43/30/90/822433090.db2.gz OKOLATFJFMWRSS-JKSUJKDBSA-N 1 0 398.457 4.021 20 0 GIADRO C[C@H]([NH2+]CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1)c1ccccc1-n1cccn1 ZINC000183158510 822433122 /nfs/dbraw/zinc/43/31/22/822433122.db2.gz OKOLATFJFMWRSS-HOTGVXAUSA-N 1 0 398.457 4.021 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000454151943 822433496 /nfs/dbraw/zinc/43/34/96/822433496.db2.gz BZZKLRMASQINBL-UHFFFAOYSA-N 1 0 393.837 4.229 20 0 GIADRO O=C1C[C@H](C[NH2+]Cc2cc(C(F)(F)F)ccc2Cl)CN1Cc1ccccc1 ZINC000179057657 822434325 /nfs/dbraw/zinc/43/43/25/822434325.db2.gz DKSYAFPIYPWPAT-OAHLLOKOSA-N 1 0 396.840 4.497 20 0 GIADRO O=C1C[C@H](C[NH2+]Cc2csc(-c3ccsc3)n2)CN1Cc1ccccc1 ZINC000179057450 822434328 /nfs/dbraw/zinc/43/43/28/822434328.db2.gz FYYWVPAGLUDSFZ-MRXNPFEDSA-N 1 0 383.542 4.010 20 0 GIADRO O=C1C[C@@H](C[NH2+]Cc2ccc(Cl)c3cccnc23)CN1Cc1ccccc1 ZINC000179060464 822434443 /nfs/dbraw/zinc/43/44/43/822434443.db2.gz IGTXPFGSZNHDNC-KRWDZBQOSA-N 1 0 379.891 4.027 20 0 GIADRO O=C1C[C@H](C[NH2+]Cc2ccc(SC(F)(F)F)cc2)CN1Cc1ccccc1 ZINC000179060243 822434454 /nfs/dbraw/zinc/43/44/54/822434454.db2.gz AJEZYSJJCCCTNF-QGZVFWFLSA-N 1 0 394.462 4.437 20 0 GIADRO O=C1C[C@@H](C[NH2+]Cc2cc(Cl)ccc2OC(F)F)CN1Cc1ccccc1 ZINC000179060347 822434483 /nfs/dbraw/zinc/43/44/83/822434483.db2.gz KRVHBLJKCYHGEO-HNNXBMFYSA-N 1 0 394.849 4.080 20 0 GIADRO COC(=O)c1ccc(C[NH2+]C2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)o1 ZINC000183171403 822435230 /nfs/dbraw/zinc/43/52/30/822435230.db2.gz XJSJTTQSKDBOQC-UHFFFAOYSA-N 1 0 397.302 4.127 20 0 GIADRO C[C@H](NC(=O)C[NH2+][C@@H](C)c1ccccc1-n1cccn1)c1ccccc1Cl ZINC000183171895 822435245 /nfs/dbraw/zinc/43/52/45/822435245.db2.gz ZLYSRDWDHPWJKT-HOTGVXAUSA-N 1 0 382.895 4.054 20 0 GIADRO C[S@](=O)C[C@@H]([NH2+]Cc1cccc(NC(=O)OC(C)(C)C)c1)c1ccccc1 ZINC000183176047 822435712 /nfs/dbraw/zinc/43/57/12/822435712.db2.gz CFQPEKQXAZSEQT-WINIVTDRSA-N 1 0 388.533 4.243 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)N(C)Cc2c(F)cccc2F)cc1 ZINC000454176915 822436021 /nfs/dbraw/zinc/43/60/21/822436021.db2.gz ZIYIMCGCRGDVQB-UHFFFAOYSA-N 1 0 375.463 4.148 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccccc1COC)c1cccc(OC)c1 ZINC000046032784 822437082 /nfs/dbraw/zinc/43/70/82/822437082.db2.gz IKUUYTJDDGDFKW-OAQYLSRUSA-N 1 0 385.508 4.046 20 0 GIADRO FC(F)(F)c1csc([C@H]2CCC[N@H+](Cc3cccc4c3OCCO4)C2)n1 ZINC000179092986 822437490 /nfs/dbraw/zinc/43/74/90/822437490.db2.gz ZCBVGMPCNYPOKS-ZDUSSCGKSA-N 1 0 384.423 4.313 20 0 GIADRO COCCOc1ccc(NC(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)c(C)c1 ZINC000179105191 822438708 /nfs/dbraw/zinc/43/87/08/822438708.db2.gz ASTJAFMIYZQOFG-UHFFFAOYSA-N 1 0 399.535 4.052 20 0 GIADRO C[C@@H](CC(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1ccc(F)cc1F ZINC000179109631 822439070 /nfs/dbraw/zinc/43/90/70/822439070.db2.gz FNKKKAOGAMOZOZ-KRWDZBQOSA-N 1 0 386.486 4.282 20 0 GIADRO CC[C@H]([NH2+][C@H](C)c1ccc(Cl)nc1)c1ccccc1OCC(=O)N(C)C ZINC000179108873 822439095 /nfs/dbraw/zinc/43/90/95/822439095.db2.gz IWOGMJYHHGCSLY-PBHICJAKSA-N 1 0 375.900 4.004 20 0 GIADRO CCOc1ccc(-c2nc(C[N@H+](C[C@H]3CCOC3)C3CC3)cs2)cc1OC ZINC000046091805 822440659 /nfs/dbraw/zinc/44/06/59/822440659.db2.gz GMFJIYVDBVWZPW-OAHLLOKOSA-N 1 0 388.533 4.218 20 0 GIADRO O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000454235805 822441815 /nfs/dbraw/zinc/44/18/15/822441815.db2.gz HKHPRKXLKUWSLJ-PZJWPPBQSA-N 1 0 379.504 4.353 20 0 GIADRO COc1ccc(CN(CCC[NH3+])c2cccc(F)c2)cc1OCc1cccnc1 ZINC000183218036 822443259 /nfs/dbraw/zinc/44/32/59/822443259.db2.gz IICLVKDICOUWHM-UHFFFAOYSA-N 1 0 395.478 4.164 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)Nc2ccc(Br)nc2)CC1 ZINC000183236877 822446128 /nfs/dbraw/zinc/44/61/28/822446128.db2.gz MGWXAAMZGUIKKA-UHFFFAOYSA-N 1 0 397.361 4.210 20 0 GIADRO COc1cccc([C@@H]2[C@@H](NC(=O)c3cccc(C(F)F)c3)CC[N@@H+]2C2CC2)c1 ZINC000183238554 822446386 /nfs/dbraw/zinc/44/63/86/822446386.db2.gz GTEOVJMWDLVBPH-VQTJNVASSA-N 1 0 386.442 4.341 20 0 GIADRO c1sc(COc2ccccc2)nc1CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000179181254 822447818 /nfs/dbraw/zinc/44/78/18/822447818.db2.gz WYDNOIOXBOFPHS-DYESRHJHSA-N 1 0 383.561 4.171 20 0 GIADRO CCc1noc(C)c1CNC(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000454276534 822448527 /nfs/dbraw/zinc/44/85/27/822448527.db2.gz USWDBTLZBDPSBD-IAGOWNOFSA-N 1 0 398.551 4.023 20 0 GIADRO CCc1noc(C)c1CNC(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000454276530 822448529 /nfs/dbraw/zinc/44/85/29/822448529.db2.gz USWDBTLZBDPSBD-CALCHBBNSA-N 1 0 398.551 4.023 20 0 GIADRO C[C@@H](NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ncc(Br)s1 ZINC000179189031 822448692 /nfs/dbraw/zinc/44/86/92/822448692.db2.gz QLYFUPQSTCAJNN-UKRRQHHQSA-N 1 0 380.355 4.393 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000454276805 822448762 /nfs/dbraw/zinc/44/87/62/822448762.db2.gz NSUXUPYJUXIPOZ-OAQYLSRUSA-N 1 0 394.519 4.099 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)N[C@@H](CC(C)C)C[NH+]1CCCC1 ZINC000454277185 822449020 /nfs/dbraw/zinc/44/90/20/822449020.db2.gz PLNPGQIDDFHQPZ-IBGZPJMESA-N 1 0 383.540 4.121 20 0 GIADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2cc(-c3ccccn3)ccc2Cl)C1 ZINC000179191070 822449042 /nfs/dbraw/zinc/44/90/42/822449042.db2.gz MLJQSZVFBDORDD-QGZVFWFLSA-N 1 0 385.939 4.500 20 0 GIADRO CCCc1ncc(CNC(=O)NCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)o1 ZINC000454278643 822449421 /nfs/dbraw/zinc/44/94/21/822449421.db2.gz WRIJIAUJFWWBBJ-ROUUACIJSA-N 1 0 398.551 4.104 20 0 GIADRO C[C@@H](N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1ncc(Br)s1 ZINC000179197376 822449500 /nfs/dbraw/zinc/44/95/00/822449500.db2.gz ZFBIPVWIMKOBRZ-HIFRSBDPSA-N 1 0 380.355 4.393 20 0 GIADRO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3ccc(Cc4nc5ccccc5s4)cc3)C[C@@H]21 ZINC000454279489 822449642 /nfs/dbraw/zinc/44/96/42/822449642.db2.gz LYCLXQCOAYCUGX-APWZRJJASA-N 1 0 392.528 4.055 20 0 GIADRO C[C@H](NCc1cccc(C[NH+]2CCCC2)c1)c1ncc(Br)s1 ZINC000179198394 822449681 /nfs/dbraw/zinc/44/96/81/822449681.db2.gz CJBSZXBHNNYGKT-ZDUSSCGKSA-N 1 0 380.355 4.352 20 0 GIADRO Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000183269699 822451194 /nfs/dbraw/zinc/45/11/94/822451194.db2.gz HUJYSJPXBZPOMY-NRFANRHFSA-N 1 0 395.551 4.059 20 0 GIADRO Brc1cccc2c1CC[C@@H]2[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000179207279 822451263 /nfs/dbraw/zinc/45/12/63/822451263.db2.gz UJCQQQRWSMHXDD-FQEVSTJZSA-N 1 0 386.337 4.086 20 0 GIADRO O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)N1CCC[C@H]1c1ccncc1 ZINC000046226215 822452270 /nfs/dbraw/zinc/45/22/70/822452270.db2.gz FQWDPROTMKDKNC-LEWJYISDSA-N 1 0 398.938 4.419 20 0 GIADRO C[C@H](C[NH2+][C@@H](C)c1ncc(Br)s1)N1CCc2sccc2C1 ZINC000179215699 822452509 /nfs/dbraw/zinc/45/25/09/822452509.db2.gz SVQQDQNSFRHQAA-MNOVXSKESA-N 1 0 386.384 4.065 20 0 GIADRO C[C@@H](NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ncc(Br)s1 ZINC000179223950 822453571 /nfs/dbraw/zinc/45/35/71/822453571.db2.gz BKDFYRPNRABAKG-ZBFHGGJFSA-N 1 0 394.382 4.121 20 0 GIADRO C[C@H](NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ncc(Br)s1 ZINC000179223961 822453575 /nfs/dbraw/zinc/45/35/75/822453575.db2.gz BKDFYRPNRABAKG-GOEBONIOSA-N 1 0 394.382 4.121 20 0 GIADRO C[C@@H](NCc1ccc(OCCC[NH+](C)C)cc1)c1ncc(Br)s1 ZINC000179223891 822453577 /nfs/dbraw/zinc/45/35/77/822453577.db2.gz AVQMQVAJZVQULG-CYBMUJFWSA-N 1 0 398.370 4.087 20 0 GIADRO O=C(Nc1ccc(Br)cc1)N1CCC([NH2+]Cc2ccccc2)CC1 ZINC000454315013 822456988 /nfs/dbraw/zinc/45/69/88/822456988.db2.gz ZPHMSJZQRQSRLV-UHFFFAOYSA-N 1 0 388.309 4.235 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@@H]1CSc2ccccc21 ZINC000454317491 822457354 /nfs/dbraw/zinc/45/73/54/822457354.db2.gz PKOCFCSNJPLPCT-LJQANCHMSA-N 1 0 383.561 4.216 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)NC[C@@H]2CSc3ccccc32)CC1 ZINC000454322440 822457813 /nfs/dbraw/zinc/45/78/13/822457813.db2.gz UAVQKGYRUKMXDN-LJQANCHMSA-N 1 0 395.572 4.148 20 0 GIADRO COC(=O)COc1ccccc1[C@H](C)[NH2+]Cc1ccc2cc(OC)ccc2c1 ZINC000183317202 822458270 /nfs/dbraw/zinc/45/82/70/822458270.db2.gz RVZAOJCBCOLGNE-INIZCTEOSA-N 1 0 379.456 4.251 20 0 GIADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)NCc3cnc(C4CC4)o3)cc2)C1 ZINC000454329612 822458614 /nfs/dbraw/zinc/45/86/14/822458614.db2.gz SURLJCPVZQSDSP-IAGOWNOFSA-N 1 0 396.535 4.029 20 0 GIADRO FC(F)(F)CN1CCC([NH2+]CCOCc2ccc(Cl)cc2Cl)CC1 ZINC000183323941 822459192 /nfs/dbraw/zinc/45/91/92/822459192.db2.gz VJJUPHJPBJLXQA-UHFFFAOYSA-N 1 0 385.257 4.126 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc(N2CCOC2=O)cc1 ZINC000183333398 822460288 /nfs/dbraw/zinc/46/02/88/822460288.db2.gz LDLCBMSWYCGWMQ-CRAIPNDOSA-N 1 0 385.895 4.226 20 0 GIADRO CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@H]1CCCOC1 ZINC000179293299 822461952 /nfs/dbraw/zinc/46/19/52/822461952.db2.gz KJKPDMAPEITXJE-OAHLLOKOSA-N 1 0 392.341 4.274 20 0 GIADRO COC(=O)COc1ccccc1[C@H](C)[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000183349468 822462170 /nfs/dbraw/zinc/46/21/70/822462170.db2.gz CRVLRERKEGWFCA-SUMWQHHRSA-N 1 0 375.465 4.265 20 0 GIADRO C[C@@H](CNC(=O)N(Cc1ccco1)Cc1cccs1)[N@@H+]1CCCC[C@H]1C ZINC000046339021 822462714 /nfs/dbraw/zinc/46/27/14/822462714.db2.gz OROKYYUTKQSYQE-SJORKVTESA-N 1 0 375.538 4.316 20 0 GIADRO COC(=O)COc1ccccc1[C@H](C)[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000183355310 822462820 /nfs/dbraw/zinc/46/28/20/822462820.db2.gz RIAFIMZBRXMLBE-LBPRGKRZSA-N 1 0 385.357 4.247 20 0 GIADRO CC(C)c1noc(CCC[NH2+]Cc2cn(Cc3ccccc3)nc2C(C)(C)C)n1 ZINC000179301355 822462843 /nfs/dbraw/zinc/46/28/43/822462843.db2.gz BLCNUQQCWIHUAI-UHFFFAOYSA-N 1 0 395.551 4.458 20 0 GIADRO CC(C)c1ccc(C[C@H](C)NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000179299747 822462847 /nfs/dbraw/zinc/46/28/47/822462847.db2.gz GPOHYNVDSSGNSB-IBGZPJMESA-N 1 0 394.563 4.100 20 0 GIADRO Cc1c([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cnn1C ZINC000183357798 822463275 /nfs/dbraw/zinc/46/32/75/822463275.db2.gz LZUMRYOMEHETFB-ZJUUUORDSA-N 1 0 388.821 4.079 20 0 GIADRO COc1cc(N[C@@H]2CCC[N@H+](Cc3cccc4cnccc43)C2)cc(OC)c1 ZINC000183366669 822464325 /nfs/dbraw/zinc/46/43/25/822464325.db2.gz NIKDNCAFYSTLAN-LJQANCHMSA-N 1 0 377.488 4.329 20 0 GIADRO C[C@H]([NH2+][C@@H](C)[C@@H](C)c1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000183374221 822465530 /nfs/dbraw/zinc/46/55/30/822465530.db2.gz TYRMHBAWQRHWSM-RDBSUJKOSA-N 1 0 375.856 4.357 20 0 GIADRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C[C@H](c2ccco2)N2CCCCC2)CC1 ZINC000183379292 822465944 /nfs/dbraw/zinc/46/59/44/822465944.db2.gz OUSKPOPULBWDPY-RBUKOAKNSA-N 1 0 391.556 4.186 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)c1C ZINC000454391162 822467552 /nfs/dbraw/zinc/46/75/52/822467552.db2.gz UNEYNLNNLHEJHX-UHFFFAOYSA-N 1 0 394.519 4.130 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)c2ccccc2SCc2cscn2)c1 ZINC000046380239 822467584 /nfs/dbraw/zinc/46/75/84/822467584.db2.gz WMQJRYDCRQCPHY-UHFFFAOYSA-N 1 0 397.569 4.427 20 0 GIADRO O[C@@H](C[C@@H]1CCC[N@@H+]1Cc1ccc(OCC(F)(F)F)c(F)c1)c1ccco1 ZINC000183392320 822467613 /nfs/dbraw/zinc/46/76/13/822467613.db2.gz HQSBIBFFEPPUDS-HOCLYGCPSA-N 1 0 387.373 4.448 20 0 GIADRO O[C@H](C[C@@H]1CCC[N@@H+]1Cc1ccc(OCC(F)(F)F)c(F)c1)c1ccco1 ZINC000183392298 822467684 /nfs/dbraw/zinc/46/76/84/822467684.db2.gz HQSBIBFFEPPUDS-GOEBONIOSA-N 1 0 387.373 4.448 20 0 GIADRO C[N@@H+]1CCCN(c2ccc(NC(=O)c3ccc(-c4ccccc4F)o3)cc2)CC1 ZINC000046404303 822470611 /nfs/dbraw/zinc/47/06/11/822470611.db2.gz NSNJNDMAKYKIQD-UHFFFAOYSA-N 1 0 393.462 4.480 20 0 GIADRO CC(C)COc1cccc(C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)c1 ZINC000046404292 822470696 /nfs/dbraw/zinc/47/06/96/822470696.db2.gz WMZJONXUSWCNDS-UHFFFAOYSA-N 1 0 381.520 4.116 20 0 GIADRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]CC2(c3ccccc3)CCOCC2)CC1 ZINC000183414966 822471137 /nfs/dbraw/zinc/47/11/37/822471137.db2.gz LGBVSRBBBUWMOP-HXUWFJFHSA-N 1 0 388.552 4.114 20 0 GIADRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]CC2(c3ccccc3)CCOCC2)CC1 ZINC000183414947 822471198 /nfs/dbraw/zinc/47/11/98/822471198.db2.gz LGBVSRBBBUWMOP-FQEVSTJZSA-N 1 0 388.552 4.114 20 0 GIADRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000454415618 822471951 /nfs/dbraw/zinc/47/19/51/822471951.db2.gz SYEGRFPDQXMWDG-FXAWDEMLSA-N 1 0 399.560 4.490 20 0 GIADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CCC(c3nc4ccccc4o3)CC2)C1 ZINC000046427335 822472294 /nfs/dbraw/zinc/47/22/94/822472294.db2.gz XFWLRPZJNJIWEQ-QZTJIDSGSA-N 1 0 398.551 4.085 20 0 GIADRO COc1ccc(CN(C)C(=O)[C@@H](C)[NH2+][C@H](C)c2cc(C)sc2C)cc1F ZINC000179370176 822472489 /nfs/dbraw/zinc/47/24/89/822472489.db2.gz LJVFIMUQHCRRRY-ZIAGYGMSSA-N 1 0 378.513 4.210 20 0 GIADRO Fc1cccc([C@H](C[NH2+][C@@H](c2ccco2)c2ccccc2)N2CCOCC2)c1 ZINC000183424271 822472861 /nfs/dbraw/zinc/47/28/61/822472861.db2.gz UPJGNLRNWRHSKB-JTHBVZDNSA-N 1 0 380.463 4.171 20 0 GIADRO Cc1nc(-c2ccccc2)sc1CNC(=O)NCCCCC[NH+]1CCCC1 ZINC000454422257 822472973 /nfs/dbraw/zinc/47/29/73/822472973.db2.gz CQANSYLTXOPYBB-UHFFFAOYSA-N 1 0 386.565 4.184 20 0 GIADRO COc1cc([C@@H](C)[NH2+]C[C@@]2(C)CCCc3ccccc32)ccc1S(C)(=O)=O ZINC000183431542 822473907 /nfs/dbraw/zinc/47/39/07/822473907.db2.gz UBZRGYJVUBADIT-OPAMFIHVSA-N 1 0 387.545 4.044 20 0 GIADRO COc1cc([C@@H](C)[NH2+]C[C@]2(C)CCCc3ccccc32)ccc1S(C)(=O)=O ZINC000183431500 822473914 /nfs/dbraw/zinc/47/39/14/822473914.db2.gz UBZRGYJVUBADIT-ZHRRBRCNSA-N 1 0 387.545 4.044 20 0 GIADRO CC[C@@H](C)n1ncc(C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)c1C1CC1 ZINC000179382327 822474431 /nfs/dbraw/zinc/47/44/31/822474431.db2.gz KVKMGCRXSMLXLQ-QGZVFWFLSA-N 1 0 395.551 4.126 20 0 GIADRO CCC(=O)Nc1ccc(Cl)c(NC(=O)NCC[C@H](C)[NH+]2CCCCC2)c1 ZINC000183435109 822474543 /nfs/dbraw/zinc/47/45/43/822474543.db2.gz DYBIVIJYBUHWJU-AWEZNQCLSA-N 1 0 380.920 4.075 20 0 GIADRO C[C@H]([NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1)c1ccccc1O ZINC000183445175 822476040 /nfs/dbraw/zinc/47/60/40/822476040.db2.gz YIFUYGPIDYAUII-LSDHHAIUSA-N 1 0 375.310 4.332 20 0 GIADRO CC(C)Oc1ccc(NC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(F)c1 ZINC000183448578 822476503 /nfs/dbraw/zinc/47/65/03/822476503.db2.gz MTXQQFRUOVIOFQ-HOTGVXAUSA-N 1 0 377.504 4.387 20 0 GIADRO COc1cccc(NC(=[NH2+])NCCc2csc(-c3ccc(Cl)cc3)n2)c1 ZINC000179394754 822476604 /nfs/dbraw/zinc/47/66/04/822476604.db2.gz GQNBRZKKAPKIMF-UHFFFAOYSA-N 1 0 386.908 4.441 20 0 GIADRO Cc1c([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2Oc2ccccc2)cnn1C ZINC000183462797 822478763 /nfs/dbraw/zinc/47/87/63/822478763.db2.gz AGVNIZRJJBPFOB-CVEARBPZSA-N 1 0 378.476 4.199 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cc(F)c(OC(C)(C)C)c(F)c2)C1 ZINC000183467346 822479367 /nfs/dbraw/zinc/47/93/67/822479367.db2.gz IROKYWZWXNUSPF-CQSZACIVSA-N 1 0 383.483 4.338 20 0 GIADRO CCC[C@@H]1C[C@@H](C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CCO1 ZINC000183472373 822480492 /nfs/dbraw/zinc/48/04/92/822480492.db2.gz XHFCNOOFNBOKTJ-FXAWDEMLSA-N 1 0 378.944 4.016 20 0 GIADRO CC(C)(C)Oc1c(F)cc(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1F ZINC000183473745 822480874 /nfs/dbraw/zinc/48/08/74/822480874.db2.gz KIDLNTBWFDWTCQ-HNNXBMFYSA-N 1 0 381.467 4.234 20 0 GIADRO CSc1ccc(Cl)c(C(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)c1 ZINC000179432929 822481753 /nfs/dbraw/zinc/48/17/53/822481753.db2.gz VOGBLGGKACAPDZ-UHFFFAOYSA-N 1 0 390.936 4.271 20 0 GIADRO O=C(Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CCC(F)(F)CC1 ZINC000179438180 822483010 /nfs/dbraw/zinc/48/30/10/822483010.db2.gz AXIUDWOAIPCLAS-GOSISDBHSA-N 1 0 388.462 4.094 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)CCNC(=O)c1ccsc1)C1CCCCC1 ZINC000046539158 822483873 /nfs/dbraw/zinc/48/38/73/822483873.db2.gz OQAFBDPWOXWMQL-UHFFFAOYSA-N 1 0 399.560 4.271 20 0 GIADRO C[C@H](NC(=O)Nc1cc(Cl)ccc1N(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183486679 822484016 /nfs/dbraw/zinc/48/40/16/822484016.db2.gz WYVABGMJPVOZNZ-LSDHHAIUSA-N 1 0 378.948 4.181 20 0 GIADRO Cc1cc2ncc([C@@H](C)[NH2+]Cc3ccc(C)cc3OCC(F)(F)F)c(C)n2n1 ZINC000179446978 822484461 /nfs/dbraw/zinc/48/44/61/822484461.db2.gz QTBVKPCVTDUCIA-CQSZACIVSA-N 1 0 392.425 4.446 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2cnc(C3CCCC3)s2)C1)C(=O)OC(C)(C)C ZINC000179449473 822484747 /nfs/dbraw/zinc/48/47/47/822484747.db2.gz WPVJBCCSPLOUSE-OAHLLOKOSA-N 1 0 379.570 4.490 20 0 GIADRO Cc1oc(-c2cccs2)nc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000046565548 822486611 /nfs/dbraw/zinc/48/66/11/822486611.db2.gz JUCIIXGSAFQRBG-UHFFFAOYSA-N 1 0 396.516 4.024 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)NC[C@H](C)c1nc(C)cs1 ZINC000183501620 822486776 /nfs/dbraw/zinc/48/67/76/822486776.db2.gz DFDPLVNIBYNJNG-HNNXBMFYSA-N 1 0 390.553 4.097 20 0 GIADRO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(OCC(F)(F)F)cc2)[C@@H]1c1ccccc1 ZINC000179466661 822486811 /nfs/dbraw/zinc/48/68/11/822486811.db2.gz LPGHSGBKOJJCOE-MSOLQXFVSA-N 1 0 393.409 4.195 20 0 GIADRO CC[C@H]([NH2+][C@@H]1CCCc2ccc(F)cc21)c1ccccc1OCC(=O)N(C)C ZINC000179467245 822487069 /nfs/dbraw/zinc/48/70/69/822487069.db2.gz YYJNCWRHXDREPB-LEWJYISDSA-N 1 0 384.495 4.411 20 0 GIADRO CC(C)CC(=O)Nc1ccc(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc1 ZINC000179470273 822487480 /nfs/dbraw/zinc/48/74/80/822487480.db2.gz VJNRODMSBLCVTP-RBBKRZOGSA-N 1 0 394.519 4.238 20 0 GIADRO CC(C)c1nccn1Cc1cccc(NC(=O)NC(C)(C)CCC[NH+](C)C)c1 ZINC000454512499 822487974 /nfs/dbraw/zinc/48/79/74/822487974.db2.gz QCYNERNWKKBTGN-UHFFFAOYSA-N 1 0 385.556 4.297 20 0 GIADRO COc1cccc(C[C@H]([NH2+]C[C@@H](C)c2nc(-c3ccccc3)no2)C2CC2)c1 ZINC000179477873 822488050 /nfs/dbraw/zinc/48/80/50/822488050.db2.gz GIJMLHMLLURWTN-IERDGZPVSA-N 1 0 377.488 4.460 20 0 GIADRO COc1cccc(C[C@@H]([NH2+]C[C@@H](C)c2nc(-c3ccccc3)no2)C2CC2)c1 ZINC000179477890 822488115 /nfs/dbraw/zinc/48/81/15/822488115.db2.gz GIJMLHMLLURWTN-IIBYNOLFSA-N 1 0 377.488 4.460 20 0 GIADRO C[C@H](C[NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1)c1nc(-c2ccccc2)no1 ZINC000179477744 822488138 /nfs/dbraw/zinc/48/81/38/822488138.db2.gz BPPVISMEYDPHRS-HZPDHXFCSA-N 1 0 392.459 4.148 20 0 GIADRO COCc1cc([C@H](C)[NH2+]C[C@H](C)c2nc(-c3ccccc3)no2)ccc1OC ZINC000179479070 822488522 /nfs/dbraw/zinc/48/85/22/822488522.db2.gz USVBDTXDWOLOFI-HOTGVXAUSA-N 1 0 381.476 4.346 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+]C[C@H](C)c1nc(-c3ccccc3)no1)CCCO2 ZINC000179479295 822488603 /nfs/dbraw/zinc/48/86/03/822488603.db2.gz FEKJPVJTWLWGMV-HNAYVOBHSA-N 1 0 379.460 4.352 20 0 GIADRO C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1)c1ccc(-n2cncn2)cc1 ZINC000179493962 822490479 /nfs/dbraw/zinc/49/04/79/822490479.db2.gz XZLPHQHSFSXMAN-ONGXBYRLSA-N 1 0 381.911 4.017 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+][C@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)s1 ZINC000179494715 822490777 /nfs/dbraw/zinc/49/07/77/822490777.db2.gz HZBOQIWIGZYEEF-SOVGHPHASA-N 1 0 393.984 4.390 20 0 GIADRO C[C@@H]([NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(C(F)(F)F)cc1 ZINC000179496094 822490964 /nfs/dbraw/zinc/49/09/64/822490964.db2.gz REKOVDVINKSCOG-NVXWUHKLSA-N 1 0 376.422 4.405 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCCN(Cc3ccccc3)C2=O)cc1 ZINC000179495919 822491028 /nfs/dbraw/zinc/49/10/28/822491028.db2.gz MFOVERJEXBHLBH-WZONZLPQSA-N 1 0 388.515 4.023 20 0 GIADRO C[C@H]([NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1cccc(-n2cccn2)c1 ZINC000183539353 822491890 /nfs/dbraw/zinc/49/18/90/822491890.db2.gz RQLRCBJCIFZJTA-HKUYNNGSSA-N 1 0 384.524 4.313 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1cccc(-n2cccn2)c1 ZINC000183539370 822491941 /nfs/dbraw/zinc/49/19/41/822491941.db2.gz RQLRCBJCIFZJTA-MJGOQNOKSA-N 1 0 384.524 4.313 20 0 GIADRO COc1ccc(CNC(=O)[C@@H](C)[NH2+][C@H](C)c2oc3ccccc3c2C)cc1OC ZINC000183545367 822492883 /nfs/dbraw/zinc/49/28/83/822492883.db2.gz HLZSFMMPIRTJMD-HZPDHXFCSA-N 1 0 396.487 4.114 20 0 GIADRO CCOc1ccc(NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)cc1F ZINC000454535898 822493026 /nfs/dbraw/zinc/49/30/26/822493026.db2.gz MVXNLIWHWRGWSB-UHFFFAOYSA-N 1 0 391.409 4.105 20 0 GIADRO CC(C)(C)OC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c1 ZINC000179508614 822493164 /nfs/dbraw/zinc/49/31/64/822493164.db2.gz JXGHPEBYKWTDFV-QGZVFWFLSA-N 1 0 397.523 4.409 20 0 GIADRO Clc1ccc(-c2cc(C[N@@H+]3CCC[C@H](c4nnc(C5CC5)[nH]4)C3)on2)cc1 ZINC000179510711 822493694 /nfs/dbraw/zinc/49/36/94/822493694.db2.gz DYIPDRWWFCPEPI-HNNXBMFYSA-N 1 0 383.883 4.370 20 0 GIADRO C[C@H]([NH2+][C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)c1ccccc1O ZINC000183556184 822494463 /nfs/dbraw/zinc/49/44/63/822494463.db2.gz JNKCPHJYTFGPKK-AAEUAGOBSA-N 1 0 385.817 4.389 20 0 GIADRO COc1c(F)cc(NC(=O)NC[C@@H](c2ccc(SC)cc2)[NH+](C)C)cc1F ZINC000454544875 822494510 /nfs/dbraw/zinc/49/45/10/822494510.db2.gz NJNVONAIPZKFON-KRWDZBQOSA-N 1 0 395.475 4.120 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)Cn1ncc2ccccc2c1=O)c1nc(-c2ccccc2)cs1 ZINC000179516010 822494874 /nfs/dbraw/zinc/49/48/74/822494874.db2.gz PECHXQRKJFWJAV-JKSUJKDBSA-N 1 0 390.512 4.259 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1ccccc1-n1cccn1 ZINC000183559819 822494864 /nfs/dbraw/zinc/49/48/64/822494864.db2.gz ZJTBGHXDDWBUGG-MSOLQXFVSA-N 1 0 384.524 4.313 20 0 GIADRO Cc1cc2cc([C@H](C)[NH2+][C@@H](C)Cn3ncc4ccccc4c3=O)oc2cc1C ZINC000179517093 822495268 /nfs/dbraw/zinc/49/52/68/822495268.db2.gz TXQHLCCVIDTHAW-IRXDYDNUSA-N 1 0 375.472 4.499 20 0 GIADRO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H](C)c1cc(Cl)ccc1Cl ZINC000179517388 822495342 /nfs/dbraw/zinc/49/53/42/822495342.db2.gz RRGSYYOFISCPNU-OLZOCXBDSA-N 1 0 376.287 4.443 20 0 GIADRO C[C@H]([NH2+]CC1(c2ccccc2Cl)CC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000179519197 822495760 /nfs/dbraw/zinc/49/57/60/822495760.db2.gz BBSKFEKYWSEXSK-ZDUSSCGKSA-N 1 0 381.900 4.265 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+][C@@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)s1 ZINC000179524129 822496744 /nfs/dbraw/zinc/49/67/44/822496744.db2.gz FSQANUMWUMXKOG-OEPMTFCVSA-N 1 0 395.519 4.015 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1c(Cl)cccc1Cl)c1cccc(-n2cccn2)c1 ZINC000183578180 822496979 /nfs/dbraw/zinc/49/69/79/822496979.db2.gz APGCQDWSEHGXDB-CYBMUJFWSA-N 1 0 389.286 4.468 20 0 GIADRO C[NH+](C)CCCC1CCN(C(=O)NCc2ccc(Oc3ccccc3)nc2)CC1 ZINC000179529578 822497771 /nfs/dbraw/zinc/49/77/71/822497771.db2.gz OQKLHTFHAYLUCF-UHFFFAOYSA-N 1 0 396.535 4.137 20 0 GIADRO CCn1nc(C)c(NC(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)c1C ZINC000179530699 822497977 /nfs/dbraw/zinc/49/79/77/822497977.db2.gz OYUOVROGFHTMSD-IAGOWNOFSA-N 1 0 397.567 4.319 20 0 GIADRO Cc1cccc([C@H]([NH2+][C@H](C)Cn2cc(Br)cn2)c2ccccn2)c1 ZINC000179533664 822498720 /nfs/dbraw/zinc/49/87/20/822498720.db2.gz GOOSFBRDXLHREC-BEFAXECRSA-N 1 0 385.309 4.117 20 0 GIADRO CC[C@@H](CSC)N(C)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000179535965 822499210 /nfs/dbraw/zinc/49/92/10/822499210.db2.gz ZLPYNZVKTXAITO-SFHVURJKSA-N 1 0 383.989 4.087 20 0 GIADRO CC[C@@H]1c2ccsc2CCN1C(=O)C[NH2+][C@@H](C)c1cccc(-n2cccn2)c1 ZINC000183597881 822499314 /nfs/dbraw/zinc/49/93/14/822499314.db2.gz HWWDNPPSCUTDRT-OXJNMPFZSA-N 1 0 394.544 4.120 20 0 GIADRO CC[C@H]1c2ccsc2CCN1C(=O)C[NH2+][C@H](C)c1cccc(-n2cccn2)c1 ZINC000183597939 822499382 /nfs/dbraw/zinc/49/93/82/822499382.db2.gz HWWDNPPSCUTDRT-UZLBHIALSA-N 1 0 394.544 4.120 20 0 GIADRO C[C@@H]([NH2+]Cc1nn(-c2ccccc2)c2c1CCC2)c1cccc(-n2cccn2)c1 ZINC000183608485 822500590 /nfs/dbraw/zinc/50/05/90/822500590.db2.gz RIPZDUWWKQKSII-GOSISDBHSA-N 1 0 383.499 4.398 20 0 GIADRO C[N@H+](CCCOc1ccccc1)CC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000046669657 822501560 /nfs/dbraw/zinc/50/15/60/822501560.db2.gz KGMYCNCOUZICPC-QHCPKHFHSA-N 1 0 394.540 4.355 20 0 GIADRO O=C(CCCc1nc2ccccc2[nH]1)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000179550916 822501857 /nfs/dbraw/zinc/50/18/57/822501857.db2.gz HIWJTCXUYSXFEL-UHFFFAOYSA-N 1 0 376.504 4.163 20 0 GIADRO Cc1nc(Cc2ccccc2)sc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000046672296 822502104 /nfs/dbraw/zinc/50/21/04/822502104.db2.gz BLQRBNARETTZPN-HXUWFJFHSA-N 1 0 391.540 4.047 20 0 GIADRO C[C@H]1C[C@H](NC(=O)N(C)Cc2c(F)cccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000454591396 822502470 /nfs/dbraw/zinc/50/24/70/822502470.db2.gz KDKGKQHCKHYPMT-FUHWJXTLSA-N 1 0 387.474 4.159 20 0 GIADRO C[C@H]([NH2+]CC1(c2ccc(F)cc2Cl)CC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000179554373 822502581 /nfs/dbraw/zinc/50/25/81/822502581.db2.gz ZEMGLDUXLXXNJC-LBPRGKRZSA-N 1 0 399.890 4.404 20 0 GIADRO C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CC1(c2ccc(F)cc2Cl)CC1 ZINC000179554175 822502596 /nfs/dbraw/zinc/50/25/96/822502596.db2.gz ZYOGFHYFJCWSTP-KKSFZXQISA-N 1 0 387.930 4.406 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)cc1F ZINC000179556164 822503005 /nfs/dbraw/zinc/50/30/05/822503005.db2.gz FAGDEGBHJHTILE-WVFSVQOHSA-N 1 0 392.902 4.210 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+][C@@H](C)c2cccc(F)c2F)c1 ZINC000179559004 822503524 /nfs/dbraw/zinc/50/35/24/822503524.db2.gz NREBXCAGFKGYIX-OLZOCXBDSA-N 1 0 378.419 4.050 20 0 GIADRO CCOCc1cc(C[NH+]2CCC([C@H](O)c3ccc(F)cc3)CC2)ccc1OC ZINC000179561532 822503808 /nfs/dbraw/zinc/50/38/08/822503808.db2.gz RRJXQPCBSWEEDH-HSZRJFAPSA-N 1 0 387.495 4.316 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)CCc1ccc2[nH]ccc2c1)[NH+]1CCCC1 ZINC000179568533 822504978 /nfs/dbraw/zinc/50/49/78/822504978.db2.gz ARRFGZLJQXXMGU-QFIPXVFZSA-N 1 0 391.515 4.062 20 0 GIADRO CCOCc1cc(C[NH+]2CCC(N(C)C(=O)OC(C)(C)C)CC2)ccc1OC ZINC000179568257 822504992 /nfs/dbraw/zinc/50/49/92/822504992.db2.gz OYKCVMVXXUGRDR-UHFFFAOYSA-N 1 0 392.540 4.063 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)N2CC[C@H](C(F)(F)F)C[C@@H]2C)CC[N@@H+]1Cc1ccccc1 ZINC000454609589 822505583 /nfs/dbraw/zinc/50/55/83/822505583.db2.gz VNOGLFZROSVSPD-KCITZHQASA-N 1 0 397.485 4.412 20 0 GIADRO CSc1ccc(CN(C)C(=O)C[NH2+][C@@H](C)c2cccc(OC(F)F)c2)cc1 ZINC000179573493 822505646 /nfs/dbraw/zinc/50/56/46/822505646.db2.gz QUQXKBVLONQANT-AWEZNQCLSA-N 1 0 394.487 4.319 20 0 GIADRO C[C@H](NC(=O)Nc1ccc(F)cc1OCC(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183654398 822506552 /nfs/dbraw/zinc/50/65/52/822506552.db2.gz NACPSAJOHDWNRH-UONOGXRCSA-N 1 0 399.457 4.244 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CCO[C@@H](c2cccs2)C1)CC(C)C ZINC000454619857 822507783 /nfs/dbraw/zinc/50/77/83/822507783.db2.gz NTIWPNJHDIJSTH-OKZBNKHCSA-N 1 0 381.586 4.024 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CCO[C@H](c2cccs2)C1)CC(C)C ZINC000454619859 822507840 /nfs/dbraw/zinc/50/78/40/822507840.db2.gz NTIWPNJHDIJSTH-SQNIBIBYSA-N 1 0 381.586 4.024 20 0 GIADRO O=C(NC1CC[NH+](C2CCCC2)CC1)N1CCC[C@H]1c1ccc(F)cc1F ZINC000454620866 822508000 /nfs/dbraw/zinc/50/80/00/822508000.db2.gz PNQNLQZPVGUBON-FQEVSTJZSA-N 1 0 377.479 4.218 20 0 GIADRO CCn1ncc2ccc(NC(=O)N3CC[N@H+](Cc4ccccc4)C[C@@H](C)C3)cc21 ZINC000454624527 822508382 /nfs/dbraw/zinc/50/83/82/822508382.db2.gz BQCGVZQQUIFRRS-GOSISDBHSA-N 1 0 391.519 4.042 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@H](C(F)(F)F)C[C@@H]1C ZINC000454630340 822509282 /nfs/dbraw/zinc/50/92/82/822509282.db2.gz YNYDJVQKHCRWBW-NEPXVJNWSA-N 1 0 397.485 4.269 20 0 GIADRO COc1cc(C)c([C@@H](C)[NH2+][C@@H](CC(C)C)C(=O)Nc2nccs2)cc1OC ZINC000179601444 822510473 /nfs/dbraw/zinc/51/04/73/822510473.db2.gz FKMHVRULMFBSDK-ZBFHGGJFSA-N 1 0 391.537 4.173 20 0 GIADRO O[C@H](C[NH2+]C1(c2ccc(F)cc2)CCOCC1)c1ccc(Cl)cc1Cl ZINC000179601052 822510534 /nfs/dbraw/zinc/51/05/34/822510534.db2.gz TZVZWALWVRBLLQ-GOSISDBHSA-N 1 0 384.278 4.461 20 0 GIADRO Brc1ccc([C@@H](NC2CC[NH+](C3CC3)CC2)c2ccco2)cc1 ZINC000183686107 822511088 /nfs/dbraw/zinc/51/10/88/822511088.db2.gz NCJLIURXLULIDR-LJQANCHMSA-N 1 0 375.310 4.348 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)C(F)F)cc1)c1ccc(OC(F)F)cc1 ZINC000179603541 822511095 /nfs/dbraw/zinc/51/10/95/822511095.db2.gz GMYLNCHODIMYLN-LLVKDONJSA-N 1 0 391.386 4.135 20 0 GIADRO CC[NH+](CC)CCOc1cc(NC(=O)N2CC(CC)(CC)C2)ccc1OC ZINC000454643429 822511223 /nfs/dbraw/zinc/51/12/23/822511223.db2.gz FFNZPEWRCBROFE-UHFFFAOYSA-N 1 0 377.529 4.070 20 0 GIADRO Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000183687438 822511329 /nfs/dbraw/zinc/51/13/29/822511329.db2.gz UAQIODXALUQDQU-KRWDZBQOSA-N 1 0 388.556 4.366 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]CC(=O)NC2(c3ccccc3)CCC2)cc1 ZINC000183689269 822511801 /nfs/dbraw/zinc/51/18/01/822511801.db2.gz RSUFKJFDGMEIAS-GOSISDBHSA-N 1 0 388.515 4.027 20 0 GIADRO Brc1cncc(C[NH2+][C@@H]2CCc3c2cccc3Br)c1 ZINC000183701625 822513832 /nfs/dbraw/zinc/51/38/32/822513832.db2.gz INLCKXCCQPCHAG-OAHLLOKOSA-N 1 0 382.099 4.384 20 0 GIADRO COc1cc(C)c([C@@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2C)cc1OC ZINC000179621004 822514402 /nfs/dbraw/zinc/51/44/02/822514402.db2.gz XUKMJPJXMFFQQE-CQSZACIVSA-N 1 0 376.884 4.263 20 0 GIADRO CCOc1ccc(-c2nc(C[N@H+](C)CC3CCOCC3)cs2)cc1OC ZINC000179627480 822515389 /nfs/dbraw/zinc/51/53/89/822515389.db2.gz OFHQDDHJBNNPIM-UHFFFAOYSA-N 1 0 376.522 4.076 20 0 GIADRO COc1cc(C)c([C@@H](C)[NH2+]CC(=O)Nc2cccc3c2N=S=N3)cc1OC ZINC000179631756 822516421 /nfs/dbraw/zinc/51/64/21/822516421.db2.gz RWOVHPPMFSCNQZ-GFCCVEGCSA-N 1 0 386.477 4.028 20 0 GIADRO C[NH+](C)C[C@H]1CCN(Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C1 ZINC000179636194 822517197 /nfs/dbraw/zinc/51/71/97/822517197.db2.gz LOLLLPSRBCFBEX-GOSISDBHSA-N 1 0 378.495 4.062 20 0 GIADRO COc1cc(OC)cc(N2CC[C@H]([NH2+]CC3CCC(C(F)(F)F)CC3)C2)c1 ZINC000183725814 822517344 /nfs/dbraw/zinc/51/73/44/822517344.db2.gz XRIIKSQQRXHXRV-GPANFISMSA-N 1 0 386.458 4.241 20 0 GIADRO COc1cccc(CCC(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)c1 ZINC000046790083 822517454 /nfs/dbraw/zinc/51/74/54/822517454.db2.gz UFWJQMITWLYSAD-IBGZPJMESA-N 1 0 380.532 4.319 20 0 GIADRO C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000179646528 822519053 /nfs/dbraw/zinc/51/90/53/822519053.db2.gz DBDATFYUTDAHQX-VGOFRKELSA-N 1 0 381.520 4.209 20 0 GIADRO Cc1ccc(OC(F)F)c([C@H](C)[NH2+]Cc2ccc(N3CCOC3=O)cc2)c1 ZINC000183742931 822520575 /nfs/dbraw/zinc/52/05/75/822520575.db2.gz ZIZZOIUNBGIWKJ-AWEZNQCLSA-N 1 0 376.403 4.404 20 0 GIADRO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NCC3CCC(C(F)(F)F)CC3)cc2)C1 ZINC000183743085 822520615 /nfs/dbraw/zinc/52/06/15/822520615.db2.gz QGOCEZWVKSFTHU-IIIMJFFVSA-N 1 0 397.485 4.165 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)NCc2cc(-c3ccccc3)on2)CC1 ZINC000183745347 822521073 /nfs/dbraw/zinc/52/10/73/822521073.db2.gz QWTNIZGGDKWNFD-UHFFFAOYSA-N 1 0 398.551 4.385 20 0 GIADRO Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)NC(=O)CO2 ZINC000046819629 822521178 /nfs/dbraw/zinc/52/11/78/822521178.db2.gz RGOFDQPJKPKZJN-JKSUJKDBSA-N 1 0 395.503 4.127 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)N[C@H]2CCO[C@H](C(CC)CC)C2)CC1 ZINC000183751494 822522185 /nfs/dbraw/zinc/52/21/85/822522185.db2.gz QXUSEXQXLPTHBE-SFTDATJTSA-N 1 0 381.605 4.124 20 0 GIADRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cn(C)nc2-c2ccccc2)cc1OC ZINC000179660671 822522189 /nfs/dbraw/zinc/52/21/89/822522189.db2.gz FWTICDWAHPVZBH-FQEVSTJZSA-N 1 0 377.488 4.441 20 0 GIADRO COc1ccc(C[NH2+][C@@H](C)c2ccc(OC(F)(F)F)cc2)c(OC)c1OC ZINC000046836369 822522498 /nfs/dbraw/zinc/52/24/98/822522498.db2.gz RMRUSOLKGXELEZ-LBPRGKRZSA-N 1 0 385.382 4.462 20 0 GIADRO CN(C)C(=O)c1cccc(C[NH2+]Cc2ccc(OCc3ccccc3F)cc2)c1 ZINC000046837343 822522743 /nfs/dbraw/zinc/52/27/43/822522743.db2.gz HTMFLGYYZMFKNP-UHFFFAOYSA-N 1 0 392.474 4.396 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)N2CCC[C@@H]2c2ccc(F)cc2F)cc1F ZINC000454728280 822524179 /nfs/dbraw/zinc/52/41/79/822524179.db2.gz FQNULALBYLYPPD-HXUWFJFHSA-N 1 0 391.437 4.212 20 0 GIADRO CCC(CC)n1nc(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1C ZINC000179676281 822524951 /nfs/dbraw/zinc/52/49/51/822524951.db2.gz SQKLOQWPTVUJSJ-JXFKEZNVSA-N 1 0 388.581 4.427 20 0 GIADRO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000179681802 822526262 /nfs/dbraw/zinc/52/62/62/822526262.db2.gz STYBFPXFKXQTKU-AEFFLSMTSA-N 1 0 384.524 4.202 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1)c1cccc(OCc2ccccn2)c1 ZINC000179689524 822528036 /nfs/dbraw/zinc/52/80/36/822528036.db2.gz NNOOBQZHKHBNLZ-HNNXBMFYSA-N 1 0 397.425 4.228 20 0 GIADRO Cc1cc(C)cc(-c2ccc(C[NH+]3CCC(C(=O)N4CCOCC4)CC3)cc2)c1 ZINC000179690008 822528091 /nfs/dbraw/zinc/52/80/91/822528091.db2.gz FBVWWHJHXSHPNI-UHFFFAOYSA-N 1 0 392.543 4.041 20 0 GIADRO CC(=O)Nc1cccc(C[NH2+][C@H](C)c2cccc(OCc3ccccn3)c2)c1 ZINC000179694932 822529137 /nfs/dbraw/zinc/52/91/37/822529137.db2.gz HWDDQMPIBXWKEA-QGZVFWFLSA-N 1 0 375.472 4.470 20 0 GIADRO O=C(CC[NH+]1CCCCC1)Nc1cccc(NC(=O)N[C@H](C2CC2)C2CCC2)c1 ZINC000454758865 822529153 /nfs/dbraw/zinc/52/91/53/822529153.db2.gz LJCDVATZZPBOKB-QFIPXVFZSA-N 1 0 398.551 4.201 20 0 GIADRO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1ccc(NC(N)=O)cc1 ZINC000183809296 822530573 /nfs/dbraw/zinc/53/05/73/822530573.db2.gz ZWDOHOBFZHRJEC-MPGHIAIKSA-N 1 0 390.528 4.006 20 0 GIADRO O=C1C[C@@H]([NH2+]Cc2cccc3cnccc32)CN1Cc1ccccc1C(F)(F)F ZINC000183815356 822531113 /nfs/dbraw/zinc/53/11/13/822531113.db2.gz AQPOAJFYFWJCLB-GOSISDBHSA-N 1 0 399.416 4.144 20 0 GIADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2ccc(Br)cc2C(F)(F)F)C1 ZINC000179707771 822531976 /nfs/dbraw/zinc/53/19/76/822531976.db2.gz QYPAXIZAZMFVIE-RYUDHWBXSA-N 1 0 393.247 4.071 20 0 GIADRO C[C@H](NC(=O)NC[C@@H]1CSc2ccccc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000454780547 822532738 /nfs/dbraw/zinc/53/27/38/822532738.db2.gz XRDFCQZSEOJJAX-DFQSSKMNSA-N 1 0 395.572 4.086 20 0 GIADRO C[C@H](NC(=O)NC[C@H]1CSc2ccccc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000454780550 822532761 /nfs/dbraw/zinc/53/27/61/822532761.db2.gz XRDFCQZSEOJJAX-IHPCNDPISA-N 1 0 395.572 4.086 20 0 GIADRO Cc1cc(CSc2ccccc2C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)on1 ZINC000046952436 822533758 /nfs/dbraw/zinc/53/37/58/822533758.db2.gz SEMDJHFYZIVGBS-RDJZCZTQSA-N 1 0 387.549 4.126 20 0 GIADRO CCOc1ccc(Oc2ccc(NC(=O)NC[C@@H]3CC[N@H+](CC)C3)cc2)cc1 ZINC000046956702 822534121 /nfs/dbraw/zinc/53/41/21/822534121.db2.gz LHXURRGIOCZQFN-KRWDZBQOSA-N 1 0 383.492 4.341 20 0 GIADRO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccnn1C(C)C)c1ccccc1OC(F)F ZINC000179719515 822534755 /nfs/dbraw/zinc/53/47/55/822534755.db2.gz DQQWSVSCURANJP-UKRRQHHQSA-N 1 0 380.439 4.133 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2ccccc2SCC#N)C1 ZINC000046980760 822534901 /nfs/dbraw/zinc/53/49/01/822534901.db2.gz STQDKIAGJRCWQD-SFHVURJKSA-N 1 0 393.556 4.464 20 0 GIADRO CC[C@H]([NH2+]CC(=O)Nc1ccnn1C1CCCC1)c1ccccc1OC(F)F ZINC000179723607 822535477 /nfs/dbraw/zinc/53/54/77/822535477.db2.gz HZYDTLUZYRCDBE-INIZCTEOSA-N 1 0 392.450 4.279 20 0 GIADRO CC(C)(C)OC(=O)Nc1cccc(C[N@@H+]2CCC[C@H](C3(C)OCCO3)C2)c1 ZINC000183854531 822536382 /nfs/dbraw/zinc/53/63/82/822536382.db2.gz SDOPVIWKXZJBRD-KRWDZBQOSA-N 1 0 376.497 4.009 20 0 GIADRO CCc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179728999 822536585 /nfs/dbraw/zinc/53/65/85/822536585.db2.gz UFXMOHNBOKTKSG-IVZQSRNASA-N 1 0 380.488 4.088 20 0 GIADRO OCCC[C@H]([NH2+]C[C@H](O)Cn1c2ccccc2c2ccccc21)c1ccccc1 ZINC000179729838 822536868 /nfs/dbraw/zinc/53/68/68/822536868.db2.gz RVIBJQVXIMSXDJ-REWPJTCUSA-N 1 0 388.511 4.259 20 0 GIADRO C[C@@H](C(=O)NC1CC[NH+](CC2CCCC2)CC1)c1ccc(Br)cc1 ZINC000179730998 822537303 /nfs/dbraw/zinc/53/73/03/822537303.db2.gz NVVPGKFEWBQXRM-OAHLLOKOSA-N 1 0 393.369 4.323 20 0 GIADRO CC(C)(C[NH+]1CCCC1)NC(=O)Nc1cccc(CSC2CCOCC2)c1 ZINC000454810375 822538590 /nfs/dbraw/zinc/53/85/90/822538590.db2.gz RVPDXIOFWBKWFO-UHFFFAOYSA-N 1 0 391.581 4.095 20 0 GIADRO Cc1ccc(NC(=O)C[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)c(Cl)c1 ZINC000179736591 822539004 /nfs/dbraw/zinc/53/90/04/822539004.db2.gz KGHGIQBGQOVSHJ-NRFANRHFSA-N 1 0 386.879 4.099 20 0 GIADRO Cc1c(Cl)cccc1NC(=O)C[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179738304 822539406 /nfs/dbraw/zinc/53/94/06/822539406.db2.gz ZUUBIZZTOCRKDA-NRFANRHFSA-N 1 0 386.879 4.099 20 0 GIADRO Cc1ccc(NC(=O)NC(C)(C)CCC[NH+](C)C)cc1NC(=O)C(C)(C)C ZINC000454815277 822539541 /nfs/dbraw/zinc/53/95/41/822539541.db2.gz MILBHZZYYSGDRV-UHFFFAOYSA-N 1 0 376.545 4.222 20 0 GIADRO CC1(CC[NH2+][C@H](c2ccccc2)c2ccccc2Br)OCCO1 ZINC000183885329 822540607 /nfs/dbraw/zinc/54/06/07/822540607.db2.gz IAEIBVGHHWQBIQ-GOSISDBHSA-N 1 0 376.294 4.281 20 0 GIADRO Cc1ccc(-c2ncc(C[N@@H+]3CC[C@@H](CNC(=O)OC(C)(C)C)C3)s2)cc1 ZINC000179742818 822541058 /nfs/dbraw/zinc/54/10/58/822541058.db2.gz QZMRRSXHQNWABI-INIZCTEOSA-N 1 0 387.549 4.465 20 0 GIADRO O=C(Nc1ccccc1)C1CC[NH+](Cc2c[nH]nc2-c2c(F)cccc2F)CC1 ZINC000179744433 822541373 /nfs/dbraw/zinc/54/13/73/822541373.db2.gz SZZIIOVOGNYGFX-UHFFFAOYSA-N 1 0 396.441 4.206 20 0 GIADRO Cc1ccc(-c2noc(CCC[NH2+][C@@H](CCCO)c3ccccc3)n2)cc1F ZINC000179745678 822541611 /nfs/dbraw/zinc/54/16/11/822541611.db2.gz FYMJCRSEVFQYME-FQEVSTJZSA-N 1 0 383.467 4.220 20 0 GIADRO O=C(NCc1ccccc1)C1CC[NH+](Cc2cnc(C3CCCC3)s2)CC1 ZINC000179748583 822542041 /nfs/dbraw/zinc/54/20/41/822542041.db2.gz RWPYAKFDUJKBHU-UHFFFAOYSA-N 1 0 383.561 4.329 20 0 GIADRO C[C@@H](NC(=O)NCCCCC[NH+]1CCCC1)c1ccc(Br)s1 ZINC000454830703 822542307 /nfs/dbraw/zinc/54/23/07/822542307.db2.gz KNWPZVAKROHCQQ-CYBMUJFWSA-N 1 0 388.375 4.137 20 0 GIADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)Nc3cc(F)ccc3SCC(F)F)C2)C1 ZINC000454831409 822542509 /nfs/dbraw/zinc/54/25/09/822542509.db2.gz KZKLFYSCECZLBD-SFHVURJKSA-N 1 0 387.471 4.133 20 0 GIADRO Cc1cc(C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)ccc1Br ZINC000179752806 822543070 /nfs/dbraw/zinc/54/30/70/822543070.db2.gz DWERQCCBDSMWGQ-UHFFFAOYSA-N 1 0 393.369 4.372 20 0 GIADRO Cc1oc2ccccc2c1C[NH2+]Cc1ccccc1OCC(=O)N1CCCC1 ZINC000183911975 822544968 /nfs/dbraw/zinc/54/49/68/822544968.db2.gz UTPXBQBUBQTUEP-UHFFFAOYSA-N 1 0 378.472 4.032 20 0 GIADRO Clc1ccc(-n2cc(C[NH2+][C@@H]3CCOC4(CCCC4)C3)nn2)cc1Cl ZINC000183915888 822545568 /nfs/dbraw/zinc/54/55/68/822545568.db2.gz SLKIOLAMRYGTNM-CYBMUJFWSA-N 1 0 381.307 4.156 20 0 GIADRO CC(C)CNC(=O)c1cccc(C[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)c1 ZINC000179761865 822545802 /nfs/dbraw/zinc/54/58/02/822545802.db2.gz UYKFOISKDZDKAD-QGZVFWFLSA-N 1 0 393.531 4.272 20 0 GIADRO C[C@H](Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)c1cc2ccccc2o1 ZINC000179763714 822546836 /nfs/dbraw/zinc/54/68/36/822546836.db2.gz GTOWLFSNSZNFPV-INIZCTEOSA-N 1 0 377.488 4.303 20 0 GIADRO Cc1csc(SCc2ccccc2C(=O)NCC[N@H+]2CCC[C@@H](C)C2)n1 ZINC000047146495 822548343 /nfs/dbraw/zinc/54/83/43/822548343.db2.gz OVPXAYSTTOQUSK-OAHLLOKOSA-N 1 0 389.590 4.206 20 0 GIADRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)c3cnc(-c4ccncc4)s3)c2C1 ZINC000179768318 822548472 /nfs/dbraw/zinc/54/84/72/822548472.db2.gz NDOFETPYZFRDSL-UHFFFAOYSA-N 1 0 378.501 4.429 20 0 GIADRO COc1cc([C@H](C)[NH2+]Cc2cc(Br)c(OC)c(OC)c2)ccc1F ZINC000179767961 822548531 /nfs/dbraw/zinc/54/85/31/822548531.db2.gz QKAXPKZMBGHRPP-NSHDSACASA-N 1 0 398.272 4.465 20 0 GIADRO C[C@H]1CC[C@@H](Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)c2ccccc21 ZINC000179769971 822549238 /nfs/dbraw/zinc/54/92/38/822549238.db2.gz YKFSUZIEFRWGNM-GAJHUEQPSA-N 1 0 377.532 4.434 20 0 GIADRO Cc1c(C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)[nH]c2c1C(=O)CCC2 ZINC000047164111 822549530 /nfs/dbraw/zinc/54/95/30/822549530.db2.gz HADNSMUKSSSZOB-UHFFFAOYSA-N 1 0 393.531 4.004 20 0 GIADRO NC(=O)C1CC[NH+](Cc2cccc(N[C@@H]3CCCc4cc(F)ccc43)c2)CC1 ZINC000179773549 822550032 /nfs/dbraw/zinc/55/00/32/822550032.db2.gz WBCGFDROZXAVPI-JOCHJYFZSA-N 1 0 381.495 4.013 20 0 GIADRO CC(C)OC(=O)c1ccc(C[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1 ZINC000179775812 822550406 /nfs/dbraw/zinc/55/04/06/822550406.db2.gz ZTYBTEORWRMVKR-MRXNPFEDSA-N 1 0 380.488 4.451 20 0 GIADRO O=C(NC1CC([NH+]2CCCCC2)C1)N[C@@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000454882307 822550514 /nfs/dbraw/zinc/55/05/14/822550514.db2.gz KAHHWRXYDCPGMQ-FVPXHTFXSA-N 1 0 375.944 4.292 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)c1ccc(C)nc1C1CC1)[NH+]1CCCCC1 ZINC000454882969 822550622 /nfs/dbraw/zinc/55/06/22/822550622.db2.gz LGBHTMJURMLOMV-NRFANRHFSA-N 1 0 393.531 4.233 20 0 GIADRO O=C(NCC1CC[NH+](C2CC2)CC1)N[C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000454884763 822550800 /nfs/dbraw/zinc/55/08/00/822550800.db2.gz FEDQFRAUIFTKLL-LJQANCHMSA-N 1 0 379.907 4.104 20 0 GIADRO O=C(NCC1CC[NH+](C2CC2)CC1)N[C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000454884760 822550805 /nfs/dbraw/zinc/55/08/05/822550805.db2.gz FEDQFRAUIFTKLL-IBGZPJMESA-N 1 0 379.907 4.104 20 0 GIADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)N1C[C@H](C(C)(C)C)c2ccccc21 ZINC000454885722 822550929 /nfs/dbraw/zinc/55/09/29/822550929.db2.gz FOAPOYAXOFXLQN-SFHVURJKSA-N 1 0 394.519 4.029 20 0 GIADRO CC[NH+](CC)CCOc1ccc(C(=O)Nc2ccc(NC(=O)C(C)C)cc2)cc1 ZINC000047205531 822554101 /nfs/dbraw/zinc/55/41/01/822554101.db2.gz BHERRAGWYQSXDO-UHFFFAOYSA-N 1 0 397.519 4.254 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)CSc1nc2ccccc2s1 ZINC000047213719 822554742 /nfs/dbraw/zinc/55/47/42/822554742.db2.gz JFRAOYGSPLFXEJ-OAHLLOKOSA-N 1 0 377.579 4.159 20 0 GIADRO O=C(NCc1ccc(F)cc1)C1CC[NH+](Cc2ccc(C(F)F)cc2)CC1 ZINC000183964506 822554819 /nfs/dbraw/zinc/55/48/19/822554819.db2.gz JCILKGZLQBQAMS-UHFFFAOYSA-N 1 0 376.422 4.292 20 0 GIADRO COCCc1noc(C[NH2+][C@@H](Cc2ccc(Cl)cc2)C2CCCCC2)n1 ZINC000179799842 822555176 /nfs/dbraw/zinc/55/51/76/822555176.db2.gz LXKFZVMEBFCUFR-SFHVURJKSA-N 1 0 377.916 4.193 20 0 GIADRO COc1ccc(C[NH+]2CCC(OCc3ccccc3)CC2)cc1OC(F)F ZINC000179800611 822555384 /nfs/dbraw/zinc/55/53/84/822555384.db2.gz AAIHTVLJHIRFJI-UHFFFAOYSA-N 1 0 377.431 4.478 20 0 GIADRO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CCC[C@H]1CCCCO1 ZINC000183994216 822560005 /nfs/dbraw/zinc/56/00/05/822560005.db2.gz DVOXBDXKFDTKFI-GDBMZVCRSA-N 1 0 388.430 4.241 20 0 GIADRO COc1cc(-c2nc(C[N@H+](C)C[C@H](C)c3nccs3)cs2)ccc1O ZINC000184009965 822563101 /nfs/dbraw/zinc/56/31/01/822563101.db2.gz UMHLYPYWASGPDT-LBPRGKRZSA-N 1 0 375.519 4.216 20 0 GIADRO C[C@H](c1cc2ccccc2o1)N(C)C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000047305206 822563874 /nfs/dbraw/zinc/56/38/74/822563874.db2.gz HSMJPKRJOGSEJV-GOSISDBHSA-N 1 0 391.515 4.013 20 0 GIADRO O=C(c1csc(-c2ccc(F)c(F)c2)n1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000184013326 822564019 /nfs/dbraw/zinc/56/40/19/822564019.db2.gz MCAHGTCUZGVOFG-CQSZACIVSA-N 1 0 391.487 4.036 20 0 GIADRO CC[NH+](CC)CCOc1ccc(CNC(=O)Nc2ccccc2C)cc1OC ZINC000047321618 822565325 /nfs/dbraw/zinc/56/53/25/822565325.db2.gz HKRNFMGZXAQWTO-UHFFFAOYSA-N 1 0 385.508 4.046 20 0 GIADRO O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)Nc1ccccc1Cl ZINC000047323077 822565679 /nfs/dbraw/zinc/56/56/79/822565679.db2.gz OBCUJZLUIGJWPZ-UHFFFAOYSA-N 1 0 386.927 4.064 20 0 GIADRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)Nc1ccccc1C(F)(F)F ZINC000047325144 822566507 /nfs/dbraw/zinc/56/65/07/822566507.db2.gz XBHJOOXCZJZNKK-UHFFFAOYSA-N 1 0 383.389 4.440 20 0 GIADRO O=C(NC[C@H]1CCCC1(F)F)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000454991251 822566992 /nfs/dbraw/zinc/56/69/92/822566992.db2.gz ZNQWURSHQYHVNX-RBUKOAKNSA-N 1 0 379.495 4.023 20 0 GIADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)Nc3ccc(Br)c(Cl)c3)C2)C1 ZINC000454995626 822567552 /nfs/dbraw/zinc/56/75/52/822567552.db2.gz FAGVRUOLNSVGJN-MRXNPFEDSA-N 1 0 386.721 4.052 20 0 GIADRO Cc1ccc(NC(=O)N2CCC([NH+]3CCCCC3)CC2)c(Br)c1 ZINC000047338145 822568480 /nfs/dbraw/zinc/56/84/80/822568480.db2.gz XPMWLGATEIJUBC-UHFFFAOYSA-N 1 0 380.330 4.240 20 0 GIADRO O=C(NCc1ccc(C(F)F)cc1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000184048559 822570640 /nfs/dbraw/zinc/57/06/40/822570640.db2.gz XAYSGSPTBMPQAR-UHFFFAOYSA-N 1 0 387.474 4.336 20 0 GIADRO CC(C)(C)OC(=O)c1cccc(C[NH+]2CCC(c3nnc4ccccn43)CC2)c1 ZINC000179890030 822572339 /nfs/dbraw/zinc/57/23/39/822572339.db2.gz VYKMLDZWLLHEJM-UHFFFAOYSA-N 1 0 392.503 4.064 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)CC1 ZINC000184071066 822574048 /nfs/dbraw/zinc/57/40/48/822574048.db2.gz OIWMQPSBZFZYAR-ICSRJNTNSA-N 1 0 378.507 4.429 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)[C@H]2C[C@H]2c2cccc(F)c2F)CC1 ZINC000184071155 822574073 /nfs/dbraw/zinc/57/40/73/822574073.db2.gz UNCPMDWTROSPAK-OALUTQOASA-N 1 0 378.507 4.429 20 0 GIADRO C[C@H](c1cccc(Cl)c1)N(C)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000047393038 822574143 /nfs/dbraw/zinc/57/41/43/822574143.db2.gz YBNYRNBSOZZOCU-MRXNPFEDSA-N 1 0 386.927 4.317 20 0 GIADRO O=C(NCCCCC[NH+]1CCCC1)Nc1cccc2c1CN(c1nccs1)C2 ZINC000455028413 822574514 /nfs/dbraw/zinc/57/45/14/822574514.db2.gz WSAGAUHEMQIOLD-UHFFFAOYSA-N 1 0 399.564 4.051 20 0 GIADRO Clc1cccc(N2CCCC2)c1C[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000179907346 822574810 /nfs/dbraw/zinc/57/48/10/822574810.db2.gz JHYPBVWIMRKNJW-GOSISDBHSA-N 1 0 378.944 4.100 20 0 GIADRO CCc1ccnc(C(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000179911949 822575594 /nfs/dbraw/zinc/57/55/94/822575594.db2.gz MMPVMBZUOHAVFH-UHFFFAOYSA-N 1 0 391.437 4.011 20 0 GIADRO O=C(C[N@H+](C[C@@H]1CCOC1)C1CC1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000047405826 822575739 /nfs/dbraw/zinc/57/57/39/822575739.db2.gz BWSJWSXCMVBYNM-JTQLQIEISA-N 1 0 377.699 4.086 20 0 GIADRO Cc1cccc(Oc2ccc(NC(=O)C[N@H+](C[C@H]3CCOC3)C3CC3)cc2)c1 ZINC000047405502 822575756 /nfs/dbraw/zinc/57/57/56/822575756.db2.gz MIVDMQVNXMNRFF-GOSISDBHSA-N 1 0 380.488 4.227 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+]CCCc1nc(-c3ccc(F)cc3)no1)CCCO2 ZINC000184089617 822576320 /nfs/dbraw/zinc/57/63/20/822576320.db2.gz SEQGGDKBGZOKEB-LJQANCHMSA-N 1 0 397.450 4.320 20 0 GIADRO C/C(=C\c1c(Cl)cccc1Cl)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000184091117 822576530 /nfs/dbraw/zinc/57/65/30/822576530.db2.gz ZPTACQIEVGWATR-ATGUSINASA-N 1 0 397.346 4.014 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)c2sc([C@@H](C)OC)nc2C)CC1 ZINC000184107318 822579152 /nfs/dbraw/zinc/57/91/52/822579152.db2.gz UKZAPJAKWWRWSL-MRXNPFEDSA-N 1 0 381.586 4.133 20 0 GIADRO CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000047453419 822580979 /nfs/dbraw/zinc/58/09/79/822580979.db2.gz NJBGJZFVIGDWNL-UHFFFAOYSA-N 1 0 377.492 4.204 20 0 GIADRO Cc1cccc(CN(C)C(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)n1 ZINC000455063719 822583146 /nfs/dbraw/zinc/58/31/46/822583146.db2.gz SVUXWZUHZDKQGV-UHFFFAOYSA-N 1 0 380.536 4.328 20 0 GIADRO O=C(NCCC[C@H]1CCCCO1)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000184129455 822583227 /nfs/dbraw/zinc/58/32/27/822583227.db2.gz MOWPRNJKOSWRCO-HXUWFJFHSA-N 1 0 389.540 4.022 20 0 GIADRO CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2ccc(OCC(C)C)cc2)cc1 ZINC000179947444 822583295 /nfs/dbraw/zinc/58/32/95/822583295.db2.gz COVAWXJGQSYKBY-QGZVFWFLSA-N 1 0 375.534 4.366 20 0 GIADRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1cccc(Br)c1Cl ZINC000184132971 822583671 /nfs/dbraw/zinc/58/36/71/822583671.db2.gz VZXJDHSNDBYZEF-UHFFFAOYSA-N 1 0 385.733 4.239 20 0 GIADRO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2cccc(OC(F)(F)F)c2)cc1 ZINC000179951123 822584466 /nfs/dbraw/zinc/58/44/66/822584466.db2.gz GUXMLDKWNAQPFT-ZDUSSCGKSA-N 1 0 387.423 4.230 20 0 GIADRO Cc1nc(C(=O)NCc2ccccc2C[NH+]2CCCC2)c(-c2ccccc2)o1 ZINC000184146442 822585524 /nfs/dbraw/zinc/58/55/24/822585524.db2.gz QPNQIUWGWNRQJJ-UHFFFAOYSA-N 1 0 375.472 4.176 20 0 GIADRO Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)CC1(C[NH3+])CCCCC1 ZINC000184151333 822586337 /nfs/dbraw/zinc/58/63/37/822586337.db2.gz BVTRQIZDFXIPAV-UHFFFAOYSA-N 1 0 379.504 4.485 20 0 GIADRO COc1ccc(C[NH2+]C2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)cc1O ZINC000184152044 822586603 /nfs/dbraw/zinc/58/66/03/822586603.db2.gz MCDQBPSWJOJPLS-UHFFFAOYSA-N 1 0 395.330 4.462 20 0 GIADRO COc1ccc(C(=O)Nc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)c(OC)c1OC ZINC000047522389 822586853 /nfs/dbraw/zinc/58/68/53/822586853.db2.gz OSBJKCCIOMXKPI-MRXNPFEDSA-N 1 0 398.503 4.339 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@H]2CCCOc3cc(F)ccc32)cc(OC)c1OC ZINC000179965983 822586861 /nfs/dbraw/zinc/58/68/61/822586861.db2.gz PGALFSBOEBGKCO-GUYCJALGSA-N 1 0 375.440 4.416 20 0 GIADRO CC(C)[NH2+]C1CCN(Cc2ccc(OC(F)F)c(Br)c2)CC1 ZINC000179965190 822586876 /nfs/dbraw/zinc/58/68/76/822586876.db2.gz GCODYKAKGGVPTA-UHFFFAOYSA-N 1 0 377.273 4.013 20 0 GIADRO CC1CC[NH+]([C@H](CNC(=O)c2ncccc2C(F)(F)F)c2ccccc2)CC1 ZINC000179966787 822587084 /nfs/dbraw/zinc/58/70/84/822587084.db2.gz ABVWIXIZBMDYTG-GOSISDBHSA-N 1 0 391.437 4.303 20 0 GIADRO CC(C)(C)OC(=O)N1CCC([C@@H]([NH2+]CC2(C)COC2)c2ccc(F)cc2)CC1 ZINC000184158194 822587733 /nfs/dbraw/zinc/58/77/33/822587733.db2.gz CMIYFISKBAYSEL-IBGZPJMESA-N 1 0 392.515 4.140 20 0 GIADRO C[NH+]1CCC([C@H]2CCN(C(=O)Nc3ccc(Oc4ccccc4)cn3)C2)CC1 ZINC000455106000 822589689 /nfs/dbraw/zinc/58/96/89/822589689.db2.gz DFXBRAHVIFUUQE-SFHVURJKSA-N 1 0 380.492 4.070 20 0 GIADRO CCc1ccccc1NC(=S)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000047567311 822591322 /nfs/dbraw/zinc/59/13/22/822591322.db2.gz XXUDUNCMVDVPEN-ROUUACIJSA-N 1 0 397.588 4.345 20 0 GIADRO Cc1cccc(NC(=S)NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c1 ZINC000047567415 822591401 /nfs/dbraw/zinc/59/14/01/822591401.db2.gz AOCYVLLOGLBGFL-QZTJIDSGSA-N 1 0 383.561 4.091 20 0 GIADRO CC(C)COC[C@@H](N[C@@H](C)C(=O)Nc1cc(Cl)ccc1F)c1ccco1 ZINC000184180398 822591856 /nfs/dbraw/zinc/59/18/56/822591856.db2.gz SCLPJMUOXPCKIM-SUMWQHHRSA-N 1 0 382.863 4.403 20 0 GIADRO CC(C)COC[C@H](N[C@@H](C)C(=O)Nc1cc(Cl)ccc1F)c1ccco1 ZINC000184180379 822591887 /nfs/dbraw/zinc/59/18/87/822591887.db2.gz SCLPJMUOXPCKIM-GUYCJALGSA-N 1 0 382.863 4.403 20 0 GIADRO CC[NH+](CC)CC1CCN(C(=O)Nc2ccc(Oc3ccccc3)cn2)CC1 ZINC000455120494 822591921 /nfs/dbraw/zinc/59/19/21/822591921.db2.gz TYDOCIPFWYCRAP-UHFFFAOYSA-N 1 0 382.508 4.460 20 0 GIADRO CC[NH+](CC)CCOC1CCN(C(=O)N[C@H](C)c2cccc(C3CC3)c2)CC1 ZINC000455120798 822591951 /nfs/dbraw/zinc/59/19/51/822591951.db2.gz UESJLCCPAPHYHB-GOSISDBHSA-N 1 0 387.568 4.157 20 0 GIADRO CC(F)(F)CCCNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000455126863 822593129 /nfs/dbraw/zinc/59/31/29/822593129.db2.gz MSOMYHQPWJVNFX-OALUTQOASA-N 1 0 379.495 4.118 20 0 GIADRO CCOC(=O)N1CCC([NH2+][C@@H](c2ccc(Br)cc2)C2CC2)CC1 ZINC000179999763 822593343 /nfs/dbraw/zinc/59/33/43/822593343.db2.gz FSDFYLOIPTVWGS-QGZVFWFLSA-N 1 0 381.314 4.111 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]C[C@@H]1COC2(CCC(C)CC2)O1 ZINC000180002802 822593506 /nfs/dbraw/zinc/59/35/06/822593506.db2.gz VFXRROFLYMMSFI-CDOGXQQPSA-N 1 0 387.549 4.486 20 0 GIADRO COc1cc(OC)cc([C@H]([NH2+][C@H](C)Cc2ccc(Cl)cc2)c2nccn2C)c1 ZINC000180003305 822593806 /nfs/dbraw/zinc/59/38/06/822593806.db2.gz YQPWDLLZBYHQQJ-VFNWGFHPSA-N 1 0 399.922 4.401 20 0 GIADRO CC1CC[NH+](CCCNC(=O)Nc2cccc(COCc3ccco3)c2)CC1 ZINC000047603055 822595717 /nfs/dbraw/zinc/59/57/17/822595717.db2.gz FIOBZOQARJRLLB-UHFFFAOYSA-N 1 0 385.508 4.240 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Nc1cccc(COCc2ccco2)c1)c1cccs1 ZINC000047602741 822595743 /nfs/dbraw/zinc/59/57/43/822595743.db2.gz JOOHIFBKTAQZGN-IBGZPJMESA-N 1 0 399.516 4.482 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1cccc(COCc2ccco2)c1)c1cccs1 ZINC000047602743 822595748 /nfs/dbraw/zinc/59/57/48/822595748.db2.gz JOOHIFBKTAQZGN-LJQANCHMSA-N 1 0 399.516 4.482 20 0 GIADRO CC(=O)c1ccc(NC(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCCC2)nc1 ZINC000455140422 822595756 /nfs/dbraw/zinc/59/57/56/822595756.db2.gz LFEUGPWJRQNUGF-MRXNPFEDSA-N 1 0 380.492 4.069 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)Nc2cccc(COCc3ccco3)c2)c1 ZINC000047603535 822595942 /nfs/dbraw/zinc/59/59/42/822595942.db2.gz HLBWVLMLNWBQOA-UHFFFAOYSA-N 1 0 393.487 4.380 20 0 GIADRO CCNC(=O)c1cccc(NC(=O)C[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]2C[C@@H]2C)c1 ZINC000180016982 822597289 /nfs/dbraw/zinc/59/72/89/822597289.db2.gz ZEEZULPMEVZDJA-UQIDSAAFSA-N 1 0 399.922 4.015 20 0 GIADRO Cc1ccc([C@@H]([NH2+]CCc2cccc(F)c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000180019972 822598097 /nfs/dbraw/zinc/59/80/97/822598097.db2.gz PGVOCRVSPQCSHF-HSZRJFAPSA-N 1 0 397.515 4.459 20 0 GIADRO Cc1ccc([C@@H]([NH2+]CCCOCC(C)C)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000180021151 822598335 /nfs/dbraw/zinc/59/83/35/822598335.db2.gz SRGLLOKJMMJVKA-JOCHJYFZSA-N 1 0 389.561 4.140 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1)c1nc2ccccc2n1C ZINC000180021865 822598569 /nfs/dbraw/zinc/59/85/69/822598569.db2.gz QGJXRQSUBMRRJR-GJZGRUSLSA-N 1 0 377.492 4.269 20 0 GIADRO CC(C)CS(=O)(=O)N1CCC([NH2+][C@@H](C)c2ccc(-c3ccccc3)o2)CC1 ZINC000180023796 822598915 /nfs/dbraw/zinc/59/89/15/822598915.db2.gz RXXMUHNFYSLIAL-KRWDZBQOSA-N 1 0 390.549 4.047 20 0 GIADRO COc1cccc(F)c1NC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000455161020 822599530 /nfs/dbraw/zinc/59/95/30/822599530.db2.gz JQGMRPMLKQGVOD-UHFFFAOYSA-N 1 0 397.494 4.354 20 0 GIADRO CC[N@H+](CCc1nccs1)Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000180027302 822600084 /nfs/dbraw/zinc/60/00/84/822600084.db2.gz TVSSLTNKUQRYJP-UHFFFAOYSA-N 1 0 391.338 4.156 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCCCC1(F)F ZINC000455164502 822600456 /nfs/dbraw/zinc/60/04/56/822600456.db2.gz JZMHNYSGFHBZRE-WOJBJXKFSA-N 1 0 393.522 4.366 20 0 GIADRO CC(C)C(=O)Nc1ccc(C[NH2+][C@@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)cc1 ZINC000180030120 822600779 /nfs/dbraw/zinc/60/07/79/822600779.db2.gz YMUSKGAOLWTWBY-PKOBYXMFSA-N 1 0 389.540 4.064 20 0 GIADRO CCCC(=O)Nc1cccc(NC(=O)NC[C@@H](c2ccc(CC)cc2)[NH+](C)C)c1 ZINC000047715209 822602812 /nfs/dbraw/zinc/60/28/12/822602812.db2.gz BRTVJVWWKYSDGN-NRFANRHFSA-N 1 0 396.535 4.412 20 0 GIADRO CC(C)[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1Cl ZINC000180043520 822603184 /nfs/dbraw/zinc/60/31/84/822603184.db2.gz GHZWQZFLLKYXFU-IBGZPJMESA-N 1 0 380.941 4.077 20 0 GIADRO COc1cc(C[NH2+]Cc2ccc(-n3cncn3)c(F)c2)ccc1OC1CCCC1 ZINC000047717795 822603640 /nfs/dbraw/zinc/60/36/40/822603640.db2.gz CXXPDPANGQAADJ-UHFFFAOYSA-N 1 0 396.466 4.026 20 0 GIADRO CC(C)Oc1ncccc1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000047720986 822603958 /nfs/dbraw/zinc/60/39/58/822603958.db2.gz QBZGHIGGCVRSPY-UHFFFAOYSA-N 1 0 399.498 4.406 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)c3c(C)onc3-c3ccccc3)c2)CC1 ZINC000184256549 822604187 /nfs/dbraw/zinc/60/41/87/822604187.db2.gz HGRLAHPWZMPJMO-UHFFFAOYSA-N 1 0 390.487 4.044 20 0 GIADRO CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccc(NC(C)=O)cc2)cc1 ZINC000047724016 822604249 /nfs/dbraw/zinc/60/42/49/822604249.db2.gz HCQSBUZCIKNVRQ-INIZCTEOSA-N 1 0 382.508 4.370 20 0 GIADRO Cc1cccc(C[NH2+]CC2(c3cccc(Br)c3)CCOCC2)c1O ZINC000180050047 822604391 /nfs/dbraw/zinc/60/43/91/822604391.db2.gz UFTHTLWSFCLGKF-UHFFFAOYSA-N 1 0 390.321 4.301 20 0 GIADRO O=C(N[C@H](c1ccc(Cl)cc1)C(F)(F)F)NC1CC[NH+](C2CCC2)CC1 ZINC000455192101 822604916 /nfs/dbraw/zinc/60/49/16/822604916.db2.gz FDZYVNKBJUBIJX-MRXNPFEDSA-N 1 0 389.849 4.260 20 0 GIADRO Cc1ccc([C@H]([NH2+]Cc2ccccc2S(=O)(=O)NC(C)(C)C)C2CC2)cc1 ZINC000180053526 822605097 /nfs/dbraw/zinc/60/50/97/822605097.db2.gz HDURJRPFOKNPOA-NRFANRHFSA-N 1 0 386.561 4.313 20 0 GIADRO CCCc1nc(C)c(NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)s1 ZINC000455198923 822606537 /nfs/dbraw/zinc/60/65/37/822606537.db2.gz WBBSJFOXBJYGRP-UHFFFAOYSA-N 1 0 392.491 4.285 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)c3c(Cl)cccc3Cl)c2)CC1 ZINC000184276612 822607380 /nfs/dbraw/zinc/60/73/80/822607380.db2.gz BDLBYQJUVNQUDA-UHFFFAOYSA-N 1 0 378.303 4.388 20 0 GIADRO C[C@H](c1ccc(C(=O)NCc2ccccc2OCC[NH+](C)C)cc1)C(F)(F)F ZINC000455202122 822607471 /nfs/dbraw/zinc/60/74/71/822607471.db2.gz LQOIDFGQKRKJQZ-OAHLLOKOSA-N 1 0 394.437 4.223 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)c3cc(SC)ccc3Cl)c2)CC1 ZINC000184280362 822607970 /nfs/dbraw/zinc/60/79/70/822607970.db2.gz KFJYHRYZAMCVKC-UHFFFAOYSA-N 1 0 389.952 4.456 20 0 GIADRO COc1cccc([C@H]2[C@H](NC(=O)Nc3ccc(F)cc3F)CC[N@@H+]2C2CC2)c1 ZINC000180068625 822608692 /nfs/dbraw/zinc/60/86/92/822608692.db2.gz AUGIXQFWFGUEHX-UXHICEINSA-N 1 0 387.430 4.073 20 0 GIADRO CCC[C@H](C)C[NH2+][C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000180069681 822608917 /nfs/dbraw/zinc/60/89/17/822608917.db2.gz XBBDSSXZRFGAIF-XOBRGWDASA-N 1 0 381.488 4.484 20 0 GIADRO C[C@@H]([NH2+][C@@H](c1ccc(F)cc1)C1CCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000180070989 822609403 /nfs/dbraw/zinc/60/94/03/822609403.db2.gz NJNPGNBRTILWPH-JLTOFOAXSA-N 1 0 376.497 4.055 20 0 GIADRO Cc1cc([C@H](C)[NH2+]C2CCN(C(=O)c3ccoc3)CC2)ccc1Br ZINC000180072173 822609679 /nfs/dbraw/zinc/60/96/79/822609679.db2.gz DSGCMSMPEGVMBC-AWEZNQCLSA-N 1 0 391.309 4.306 20 0 GIADRO C[C@H](C[S@](C)=O)[NH2+][C@@H](Cc1ccccc1F)c1ccccc1Br ZINC000184298693 822610628 /nfs/dbraw/zinc/61/06/28/822610628.db2.gz WOERYHMDMDZKHG-UTAGQHFDSA-N 1 0 398.341 4.229 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](C)c1c(Cl)cccc1Cl)c1ccc(S(N)(=O)=O)cc1 ZINC000180082380 822611655 /nfs/dbraw/zinc/61/16/55/822611655.db2.gz NONLEONQRGQQKK-VXGBXAGGSA-N 1 0 387.332 4.095 20 0 GIADRO COc1cccc(N2CC[C@@H](C[NH2+][C@H](C)c3nc4ccc(Cl)cc4n3C)C2)c1 ZINC000180083306 822611720 /nfs/dbraw/zinc/61/17/20/822611720.db2.gz NNYNHQZZQLONLK-CVEARBPZSA-N 1 0 398.938 4.412 20 0 GIADRO C[C@H]([NH2+]Cc1cnn(Cc2ccccc2Cl)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000047826815 822612813 /nfs/dbraw/zinc/61/28/13/822612813.db2.gz YIEHIIONLUZUFG-HNNXBMFYSA-N 1 0 394.906 4.320 20 0 GIADRO CCOC(=O)C1CCC([NH2+]Cc2cccc(NC(=O)c3ccc(F)cc3)c2)CC1 ZINC000180089295 822612989 /nfs/dbraw/zinc/61/29/89/822612989.db2.gz WOPOEDRKKHDLIW-UHFFFAOYSA-N 1 0 398.478 4.290 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)c(CC(=O)NC2CC[NH+](CC(C)C)CC2)s1 ZINC000047852266 822614067 /nfs/dbraw/zinc/61/40/67/822614067.db2.gz DFCTYNYLEGPXBH-UHFFFAOYSA-N 1 0 385.577 4.206 20 0 GIADRO COC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(OCC(C)C)c(OC)c2)s1 ZINC000180096053 822614427 /nfs/dbraw/zinc/61/44/27/822614427.db2.gz UFMGGYMKQSZPCJ-AWEZNQCLSA-N 1 0 377.506 4.429 20 0 GIADRO Cc1cc2cc[nH]c2cc1NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000455238358 822615075 /nfs/dbraw/zinc/61/50/75/822615075.db2.gz ZEJXNSYWZDHKQL-KRWDZBQOSA-N 1 0 376.504 4.462 20 0 GIADRO CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000180103368 822615711 /nfs/dbraw/zinc/61/57/11/822615711.db2.gz MFAUXRBHOBCEEX-QUCCMNQESA-N 1 0 388.552 4.018 20 0 GIADRO COc1ccc2oc([C@@H](C)[NH2+][C@@H](C)C(=O)NCc3cccc(OC)c3)c(C)c2c1 ZINC000184329551 822616001 /nfs/dbraw/zinc/61/60/01/822616001.db2.gz PJMHYWHMJHOXCG-CVEARBPZSA-N 1 0 396.487 4.114 20 0 GIADRO C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000184330760 822616540 /nfs/dbraw/zinc/61/65/40/822616540.db2.gz NIBDNHOWDHYHLU-IRXDYDNUSA-N 1 0 378.944 4.320 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(COC2CCOCC2)c1)c1nc2ccccc2n1C ZINC000180109122 822617060 /nfs/dbraw/zinc/61/70/60/822617060.db2.gz FKRPUYQPWICZSR-QGZVFWFLSA-N 1 0 379.504 4.120 20 0 GIADRO CSc1ccc(C[NH+]2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)cc1 ZINC000047892879 822617248 /nfs/dbraw/zinc/61/72/48/822617248.db2.gz KFOFGRNDUKRXMH-UHFFFAOYSA-N 1 0 386.536 4.384 20 0 GIADRO O=C(c1ccccc1F)N1CCC([NH2+][C@H](c2ccccc2)c2ccccn2)CC1 ZINC000180114649 822618025 /nfs/dbraw/zinc/61/80/25/822618025.db2.gz XDTBKFGLWCDAKD-HSZRJFAPSA-N 1 0 389.474 4.205 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)cc1 ZINC000047905365 822618238 /nfs/dbraw/zinc/61/82/38/822618238.db2.gz JBQFJQHROCTFEF-UHFFFAOYSA-N 1 0 381.520 4.309 20 0 GIADRO COc1cc(-c2noc(C[N@H+]([C@@H](C)C3CC3)C3CC3)n2)ccc1OC(F)F ZINC000047909263 822618925 /nfs/dbraw/zinc/61/89/25/822618925.db2.gz AKITUCOBTIPYCP-NSHDSACASA-N 1 0 379.407 4.110 20 0 GIADRO COc1ccc(C[NH2+]C[C@@H](C)c2ncc(C)s2)cc1OCc1cccnc1 ZINC000184348101 822619982 /nfs/dbraw/zinc/61/99/82/822619982.db2.gz PJAUARBWLXRZTP-OAHLLOKOSA-N 1 0 383.517 4.327 20 0 GIADRO C[C@@H]([NH2+]CCOc1cccc(S(C)(=O)=O)c1)c1cc2ccccc2s1 ZINC000184354152 822620829 /nfs/dbraw/zinc/62/08/29/822620829.db2.gz IDKITRPRJDLJAL-CQSZACIVSA-N 1 0 375.515 4.034 20 0 GIADRO COc1cccc([C@@H](CNC(=O)N[C@@H](C)c2ccc(SC)cc2)[NH+](C)C)c1 ZINC000047937237 822621132 /nfs/dbraw/zinc/62/11/32/822621132.db2.gz DCHAAFAJCUKCSI-MGPUTAFESA-N 1 0 387.549 4.080 20 0 GIADRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)c2ncccc2C(F)(F)F)CC1 ZINC000180131791 822622427 /nfs/dbraw/zinc/62/24/27/822622427.db2.gz ONZYWSMZOYWBRI-UHFFFAOYSA-N 1 0 391.437 4.085 20 0 GIADRO CCCC(=O)Nc1ccc(C[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)cc1 ZINC000180136571 822623985 /nfs/dbraw/zinc/62/39/85/822623985.db2.gz AAPPBOQYKAIYSO-UHFFFAOYSA-N 1 0 389.540 4.351 20 0 GIADRO O=C(Nc1ccc(Cl)cc1OC(F)F)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000184374224 822624086 /nfs/dbraw/zinc/62/40/86/822624086.db2.gz HZIAAICMZYPVGT-MLGOLLRUSA-N 1 0 399.869 4.422 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(Cl)cc2OC(F)F)C1 ZINC000184379328 822625176 /nfs/dbraw/zinc/62/51/76/822625176.db2.gz RYYMJOLPAHBTRH-LBPRGKRZSA-N 1 0 375.847 4.137 20 0 GIADRO CCCc1c(NC(=O)NCCCC[N@H+](C)C2CC2)cnn1-c1cccc(C)c1 ZINC000455279769 822625570 /nfs/dbraw/zinc/62/55/70/822625570.db2.gz YZLDOGXHDAPOKN-UHFFFAOYSA-N 1 0 383.540 4.129 20 0 GIADRO C[N@@H+]1CC[C@H](NC(=O)c2cc(Cl)ccc2Br)[C@@H]1c1ccccc1 ZINC000180144425 822625768 /nfs/dbraw/zinc/62/57/68/822625768.db2.gz XCUCJCQUDMNQRG-IRXDYDNUSA-N 1 0 393.712 4.278 20 0 GIADRO C[C@@H]1CCCN(C(=O)C2CC[NH+](CCOc3ccc4ccccc4c3)CC2)C1 ZINC000048046580 822626486 /nfs/dbraw/zinc/62/64/86/822626486.db2.gz UUAIKIPTONKAKW-LJQANCHMSA-N 1 0 380.532 4.189 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(N[C@H](c2cnn(C)c2)c2cccc(F)c2)CC1 ZINC000180150279 822627266 /nfs/dbraw/zinc/62/72/66/822627266.db2.gz VZKDUOHTGAZZQR-DEOSSOPVSA-N 1 0 392.522 4.211 20 0 GIADRO C[C@H]([NH2+][C@H](c1cccc(F)c1)C1CCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000180151988 822627632 /nfs/dbraw/zinc/62/76/32/822627632.db2.gz NYVWAPIJSBDMHF-XOBRGWDASA-N 1 0 376.497 4.055 20 0 GIADRO O=C(Nc1ccc(Cl)cc1OC(F)F)NC1CC[NH+](C2CCCC2)CC1 ZINC000184394776 822627735 /nfs/dbraw/zinc/62/77/35/822627735.db2.gz KIZXNJHUWKFMFB-UHFFFAOYSA-N 1 0 387.858 4.470 20 0 GIADRO CCN(CC)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)c1ccco1 ZINC000180152390 822627848 /nfs/dbraw/zinc/62/78/48/822627848.db2.gz LFNNAHDUCRJSQX-IPQPSQTFSA-N 1 0 391.556 4.183 20 0 GIADRO CSc1c(F)cc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1F ZINC000184396674 822628060 /nfs/dbraw/zinc/62/80/60/822628060.db2.gz FMRQVRJIMRYTQI-SJKOYZFVSA-N 1 0 381.492 4.167 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)c2ncccc2C(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000180154600 822628362 /nfs/dbraw/zinc/62/83/62/822628362.db2.gz UQJXHLYSCHZFLM-DOTOQJQBSA-N 1 0 391.437 4.226 20 0 GIADRO Cc1ccc(C(=O)CCCC(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000184404623 822629263 /nfs/dbraw/zinc/62/92/63/822629263.db2.gz ZCEKUBULVWKBOV-UHFFFAOYSA-N 1 0 378.516 4.260 20 0 GIADRO C[N@@H+]1CC[C@H](NC(=O)Cc2csc(-c3cccc(F)c3)n2)[C@@H]1c1ccccc1 ZINC000180159483 822629450 /nfs/dbraw/zinc/62/94/50/822629450.db2.gz BRTPFXBGBGJWPS-FPOVZHCZSA-N 1 0 395.503 4.053 20 0 GIADRO FC(F)(F)CCN1CCC([NH2+]CCOc2ccc(C(F)(F)F)cc2)CC1 ZINC000180159771 822629615 /nfs/dbraw/zinc/62/96/15/822629615.db2.gz BQJWJKBWVJRCND-UHFFFAOYSA-N 1 0 384.364 4.091 20 0 GIADRO Cc1ccc([C@H]([NH2+]Cc2cccc(OCC(=O)N(C)C)c2)c2ccccc2)cc1 ZINC000180159783 822629669 /nfs/dbraw/zinc/62/96/69/822629669.db2.gz LJBGQNVNTPCKPY-RUZDIDTESA-N 1 0 388.511 4.341 20 0 GIADRO Cc1nc2c(s1)[C@@H](Nc1cccc(N3CC[NH+](CC4CC4)CC3)c1)CCC2 ZINC000180160249 822629674 /nfs/dbraw/zinc/62/96/74/822629674.db2.gz ZNFXBGLPXCYWRU-NRFANRHFSA-N 1 0 382.577 4.473 20 0 GIADRO CC(C)c1nccn1Cc1cccc(NC(=O)NC[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000048084188 822630539 /nfs/dbraw/zinc/63/05/39/822630539.db2.gz FVYMBJQFWMBRBL-LJQANCHMSA-N 1 0 397.567 4.298 20 0 GIADRO CCc1ccc([C@H](CNC(=O)c2sccc2Br)[NH+](C)C)cc1 ZINC000048087532 822630728 /nfs/dbraw/zinc/63/07/28/822630728.db2.gz TVOCMBUOAHGNTQ-HNNXBMFYSA-N 1 0 381.339 4.106 20 0 GIADRO Cc1c(Br)ccc(NC(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)c1F ZINC000455301095 822631002 /nfs/dbraw/zinc/63/10/02/822631002.db2.gz KXFMRVQNTUUHAB-GFCCVEGCSA-N 1 0 398.320 4.235 20 0 GIADRO Cc1c(NC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cccc1N(C)C ZINC000180166678 822630971 /nfs/dbraw/zinc/63/09/71/822630971.db2.gz ZHEIUAWCGNQFTG-FQEVSTJZSA-N 1 0 380.536 4.047 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1csc(Cc2cccc(F)c2)n1 ZINC000180168500 822631432 /nfs/dbraw/zinc/63/14/32/822631432.db2.gz HUWSVEGLFOISKU-UHFFFAOYSA-N 1 0 383.492 4.495 20 0 GIADRO Clc1ccc(-n2cc(C[NH+]3CCC(OC[C@H]4CCCCO4)CC3)cn2)cc1 ZINC000180169420 822631524 /nfs/dbraw/zinc/63/15/24/822631524.db2.gz XIKZTZXFOCEYCV-OAQYLSRUSA-N 1 0 389.927 4.076 20 0 GIADRO Cc1ccc([C@H](C[NH2+][C@H](c2ccccc2)c2ccccn2)N2CCOCC2)cc1 ZINC000180174241 822632631 /nfs/dbraw/zinc/63/26/31/822632631.db2.gz XNHDPYLGKBRPLS-LOSJGSFVSA-N 1 0 387.527 4.143 20 0 GIADRO CCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)cc1F ZINC000180176222 822632800 /nfs/dbraw/zinc/63/28/00/822632800.db2.gz IYEQQNXKBJJRIN-ALOPSCKCSA-N 1 0 378.488 4.245 20 0 GIADRO COC(=O)COc1cccc(C[NH2+][C@@H](c2ccccc2OC)C2CCCC2)c1 ZINC000180178140 822633193 /nfs/dbraw/zinc/63/31/93/822633193.db2.gz YXKXIRBTHFLLCR-HSZRJFAPSA-N 1 0 383.488 4.268 20 0 GIADRO CN(Cc1ccccc1NC(=O)NC1CC[NH+](C2CCC2)CC1)c1ccccc1 ZINC000455332842 822636014 /nfs/dbraw/zinc/63/60/14/822636014.db2.gz YQDVNPUMQQNQJP-UHFFFAOYSA-N 1 0 392.547 4.461 20 0 GIADRO CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000184446160 822636545 /nfs/dbraw/zinc/63/65/45/822636545.db2.gz UQNYFFNMZPAQFN-NRFANRHFSA-N 1 0 382.504 4.214 20 0 GIADRO C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000048136753 822637128 /nfs/dbraw/zinc/63/71/28/822637128.db2.gz DNKOQBLHFGKXLS-IIBYNOLFSA-N 1 0 377.488 4.129 20 0 GIADRO O=C(c1ccccc1)N1CCC([NH2+]Cc2c(Cl)cccc2N2CCCC2)CC1 ZINC000180201262 822638317 /nfs/dbraw/zinc/63/83/17/822638317.db2.gz WBROEVQCXVLTES-UHFFFAOYSA-N 1 0 397.950 4.335 20 0 GIADRO OC1CC[NH+](CCCN[C@@H](c2ccccc2Cl)c2cc(F)ccc2F)CC1 ZINC000180211708 822640212 /nfs/dbraw/zinc/64/02/12/822640212.db2.gz CFHNROZQMODBSS-NRFANRHFSA-N 1 0 394.893 4.144 20 0 GIADRO C[C@@H](NCc1cccnc1OCC(F)F)c1nc2ccc(Cl)cc2n1C ZINC000180211488 822640264 /nfs/dbraw/zinc/64/02/64/822640264.db2.gz ZDUOBFHWKRACFO-LLVKDONJSA-N 1 0 380.826 4.116 20 0 GIADRO CC(C)OC(=O)C[C@H]1CCC[N@H+](Cc2cccc(SC(=O)N(C)C)c2)C1 ZINC000184465949 822640791 /nfs/dbraw/zinc/64/07/91/822640791.db2.gz WCLRUMQBIIPYPT-QGZVFWFLSA-N 1 0 378.538 4.014 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1cc(F)c(Cl)cc1Cl ZINC000180218100 822641449 /nfs/dbraw/zinc/64/14/49/822641449.db2.gz DSHZGLVCJQIYNY-UHFFFAOYSA-N 1 0 382.266 4.174 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1occc1-c1ccc(F)cc1 ZINC000180224355 822642905 /nfs/dbraw/zinc/64/29/05/822642905.db2.gz BBYCITNOROYRHI-UHFFFAOYSA-N 1 0 379.435 4.127 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1ccc(Br)cc1Cl)c1cccc(F)c1 ZINC000048184540 822643189 /nfs/dbraw/zinc/64/31/89/822643189.db2.gz SOYRMJGGQWTEQR-MRXNPFEDSA-N 1 0 399.691 4.274 20 0 GIADRO COc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccccc3OC(C)C)CC2)cc1 ZINC000048193590 822644162 /nfs/dbraw/zinc/64/41/62/822644162.db2.gz DLKAIEYHXLZPPI-UHFFFAOYSA-N 1 0 397.519 4.222 20 0 GIADRO Cn1cc([C@@H]([NH2+]CCc2ccc(Br)s2)c2cccc(F)c2)cn1 ZINC000180236267 822645678 /nfs/dbraw/zinc/64/56/78/822645678.db2.gz KZBULBKZIGJJMQ-KRWDZBQOSA-N 1 0 394.313 4.305 20 0 GIADRO COC[C@@H]([NH2+]C1CCC2(CC1)C(=O)Nc1ccccc12)c1ccc(F)c(F)c1 ZINC000180237926 822645803 /nfs/dbraw/zinc/64/58/03/822645803.db2.gz YRTBYMUGQCHMMC-YOMPXFNTSA-N 1 0 386.442 4.075 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)c1ccnc(-n2ccnc2)c1)C1CCCCC1 ZINC000048223795 822646590 /nfs/dbraw/zinc/64/65/90/822646590.db2.gz KZCJPNWWYPQUNU-UHFFFAOYSA-N 1 0 389.503 4.284 20 0 GIADRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+]CC(=O)N(C)CC1CC1 ZINC000184511332 822648142 /nfs/dbraw/zinc/64/81/42/822648142.db2.gz QMWMQNZMKYFPOD-LBPRGKRZSA-N 1 0 377.941 4.291 20 0 GIADRO CCC(=O)Nc1ccc(C)c(NC(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)c1 ZINC000048257033 822649258 /nfs/dbraw/zinc/64/92/58/822649258.db2.gz LWRRFGMEPLZPPW-HXUWFJFHSA-N 1 0 388.556 4.222 20 0 GIADRO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000184523797 822650622 /nfs/dbraw/zinc/65/06/22/822650622.db2.gz XVIIULCBPAZKGJ-GOTSBHOMSA-N 1 0 382.479 4.295 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)Nc2ncn(C3CCCCC3)n2)CC1 ZINC000184531042 822652084 /nfs/dbraw/zinc/65/20/84/822652084.db2.gz MCDVQTVUIOZNCK-QGZVFWFLSA-N 1 0 396.539 4.130 20 0 GIADRO CCN1CC[NH+](CCCCNC(=O)Nc2ccc3c(c2)oc2ccccc23)CC1 ZINC000048328304 822654050 /nfs/dbraw/zinc/65/40/50/822654050.db2.gz KEIWJIJJVYBNOJ-UHFFFAOYSA-N 1 0 394.519 4.125 20 0 GIADRO Cc1cc(NC(=O)CC[NH2+][C@@H](C)c2sc(-c3ccc(C)cc3)nc2C)no1 ZINC000184541343 822654221 /nfs/dbraw/zinc/65/42/21/822654221.db2.gz ADVGFTKEGNQGNT-AWEZNQCLSA-N 1 0 384.505 4.403 20 0 GIADRO CCCOc1ccc(C[N@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)cc1OC ZINC000180284836 822655207 /nfs/dbraw/zinc/65/52/07/822655207.db2.gz CURGLMFTQFTEGL-QMTYFTJSSA-N 1 0 375.534 4.414 20 0 GIADRO O=C([C@H]1CCn2ccnc2C1)N(Cc1ccccc1C(F)(F)F)C1CCCC1 ZINC000455444927 822655417 /nfs/dbraw/zinc/65/54/17/822655417.db2.gz KXYFLKWLAXEHGO-HNNXBMFYSA-N 1 0 391.437 4.436 20 0 GIADRO Cc1nc(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)c(-c2ccccc2)o1 ZINC000184558614 822657144 /nfs/dbraw/zinc/65/71/44/822657144.db2.gz CUDNUVXQPIKXNZ-UHFFFAOYSA-N 1 0 395.528 4.354 20 0 GIADRO Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc1)[C@@H](C)C2 ZINC000180293757 822657612 /nfs/dbraw/zinc/65/76/12/822657612.db2.gz LSKXBHOOXSAULP-YBJWPOLQSA-N 1 0 392.543 4.268 20 0 GIADRO CN(C)S(=O)(=O)c1cccc(C[NH2+][C@H](c2ccc(F)cc2)C2CCCC2)c1 ZINC000180294022 822657792 /nfs/dbraw/zinc/65/77/92/822657792.db2.gz SKVGWVLUYCXZSQ-NRFANRHFSA-N 1 0 390.524 4.097 20 0 GIADRO CN(C)C(=O)CCC[NH2+][C@H](c1ccccc1)c1ccc(Br)cc1F ZINC000180300836 822659582 /nfs/dbraw/zinc/65/95/82/822659582.db2.gz CASSXCDNHNUEDF-LJQANCHMSA-N 1 0 393.300 4.136 20 0 GIADRO Cc1cc(C)c(NC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c(C)n1 ZINC000455466610 822659974 /nfs/dbraw/zinc/65/99/74/822659974.db2.gz FOQOEYREGINDLL-UHFFFAOYSA-N 1 0 392.425 4.380 20 0 GIADRO CC1(C(=O)NCCc2c[nH]c3ccccc23)CC[NH+](Cc2ccccc2)CC1 ZINC000184586682 822661972 /nfs/dbraw/zinc/66/19/72/822661972.db2.gz AJQSUFWPPZRYDY-UHFFFAOYSA-N 1 0 375.516 4.129 20 0 GIADRO CCCC(=O)Nc1cccc(NC(=O)N2CCC(CCC[NH+](C)C)CC2)c1C ZINC000180316554 822662349 /nfs/dbraw/zinc/66/23/49/822662349.db2.gz JGPNFJFOJBCVOW-UHFFFAOYSA-N 1 0 388.556 4.319 20 0 GIADRO C[C@H]1CCC[N@H+](CCCCNC(=O)Nc2ccc(F)cc2Br)C1 ZINC000048451454 822662897 /nfs/dbraw/zinc/66/28/97/822662897.db2.gz UZXMYXNZADGBGN-ZDUSSCGKSA-N 1 0 386.309 4.222 20 0 GIADRO Cc1cc(Oc2ncccn2)ccc1NC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000180321883 822663048 /nfs/dbraw/zinc/66/30/48/822663048.db2.gz PUOXMFRJRYTVHO-UHFFFAOYSA-N 1 0 397.523 4.163 20 0 GIADRO CSc1cccc(C)c1NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000184598646 822663796 /nfs/dbraw/zinc/66/37/96/822663796.db2.gz DFITYBCFDJCLEY-UHFFFAOYSA-N 1 0 383.561 4.258 20 0 GIADRO CN(C)C(=O)c1cccc(C[NH2+][C@H](COc2ccccc2F)c2ccccc2)c1 ZINC000180327293 822664029 /nfs/dbraw/zinc/66/40/29/822664029.db2.gz HJLJNYBVNFTPCA-JOCHJYFZSA-N 1 0 392.474 4.437 20 0 GIADRO CSCC[C@@H]([NH2+]CCCOc1cccc(Cl)c1)c1nnc2ccccn21 ZINC000184600894 822664107 /nfs/dbraw/zinc/66/41/07/822664107.db2.gz LUESAIDMPMHJCL-QGZVFWFLSA-N 1 0 390.940 4.236 20 0 GIADRO Cn1cc([C@H]([NH2+]CCOc2ccc(F)cc2Cl)c2ccc(F)cc2)cn1 ZINC000184611489 822665571 /nfs/dbraw/zinc/66/55/71/822665571.db2.gz NGBJSRQDNSKEPV-LJQANCHMSA-N 1 0 377.822 4.110 20 0 GIADRO Cc1cc(C)c(NC(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(C)n1 ZINC000455513573 822668993 /nfs/dbraw/zinc/66/89/93/822668993.db2.gz JAKSVWOMEVZVGC-HSZRJFAPSA-N 1 0 378.520 4.137 20 0 GIADRO CCOc1cccc2cc([C@H](C)[NH2+]CC(=O)Nc3cc(OC)cc(OC)c3)oc21 ZINC000180355919 822669491 /nfs/dbraw/zinc/66/94/91/822669491.db2.gz LBCUKWCESCHXBM-AWEZNQCLSA-N 1 0 398.459 4.138 20 0 GIADRO C[C@@H](NC1CC[NH+](Cc2ccccc2)CC1)c1nc(-c2cccc(F)c2)no1 ZINC000184639555 822669595 /nfs/dbraw/zinc/66/95/95/822669595.db2.gz ADBREJXLFGUJEC-MRXNPFEDSA-N 1 0 380.467 4.191 20 0 GIADRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)NCc2ccsc2)cc1 ZINC000048524752 822669641 /nfs/dbraw/zinc/66/96/41/822669641.db2.gz UZYPEJFUUAPLKV-UHFFFAOYSA-N 1 0 379.529 4.476 20 0 GIADRO CC[N@@H+](Cc1cn(C)nc1-c1ccccc1)CC1CCN(c2ccccn2)CC1 ZINC000180368041 822671201 /nfs/dbraw/zinc/67/12/01/822671201.db2.gz CUOAIFRVXMORDT-UHFFFAOYSA-N 1 0 389.547 4.221 20 0 GIADRO COc1ccc([C@H](C[NH2+][C@H]2CCSc3ccc(F)cc32)N(C)C)cc1OC ZINC000180381481 822673058 /nfs/dbraw/zinc/67/30/58/822673058.db2.gz STNGNOXFHLTQLH-ROUUACIJSA-N 1 0 390.524 4.272 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)N1CCC([C@H](F)c2ccccc2F)CC1 ZINC000455560769 822674850 /nfs/dbraw/zinc/67/48/50/822674850.db2.gz MMPWPHVDMMXDHQ-NRFANRHFSA-N 1 0 391.506 4.275 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000184682838 822675833 /nfs/dbraw/zinc/67/58/33/822675833.db2.gz VBQCBIMYMKAQKD-RVKKMQEKSA-N 1 0 392.421 4.144 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2cc(F)cc(F)c2F)[C@@H]1c1cccs1 ZINC000455567791 822675909 /nfs/dbraw/zinc/67/59/09/822675909.db2.gz PIFXCPDEZOWSNU-APPDUMDISA-N 1 0 383.439 4.370 20 0 GIADRO Cn1cc([C@@H]([NH2+]CCCc2nc3c(s2)CCCC3)c2cccc(F)c2)cn1 ZINC000180410440 822677009 /nfs/dbraw/zinc/67/70/09/822677009.db2.gz JLVOYCVAKGNCCP-NRFANRHFSA-N 1 0 384.524 4.206 20 0 GIADRO C[C@@H]([NH2+]Cc1cn(C)nc1-c1ccccc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000180416959 822678085 /nfs/dbraw/zinc/67/80/85/822678085.db2.gz JGJTVDVWGHECEH-MRXNPFEDSA-N 1 0 389.503 4.222 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4)[nH]3)cc2)CC1 ZINC000180417375 822678100 /nfs/dbraw/zinc/67/81/00/822678100.db2.gz AEPZMVATEPWXDS-UHFFFAOYSA-N 1 0 388.515 4.464 20 0 GIADRO O=C(c1ccc(C[NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)cc1)N1CCCC1 ZINC000048686023 822678148 /nfs/dbraw/zinc/67/81/48/822678148.db2.gz NNMMVGQLDSAAJZ-UHFFFAOYSA-N 1 0 394.906 4.052 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3sccc3OC(F)F)cc2)CC1 ZINC000180419533 822678453 /nfs/dbraw/zinc/67/84/53/822678453.db2.gz OKXJDWXZFFFJJU-UHFFFAOYSA-N 1 0 395.475 4.132 20 0 GIADRO CCOCCC1(C(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)CCCC1 ZINC000180419724 822678506 /nfs/dbraw/zinc/67/85/06/822678506.db2.gz LXUGONGZLGIJDK-UHFFFAOYSA-N 1 0 387.568 4.134 20 0 GIADRO C[C@H](c1ccc(C(=O)N2C[C@H]([NH+](C)C)Cc3ccccc32)cc1)C(F)(F)F ZINC000455583721 822678531 /nfs/dbraw/zinc/67/85/31/822678531.db2.gz ZUGCKMUQVQXREJ-RDTXWAMCSA-N 1 0 376.422 4.486 20 0 GIADRO CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000180420660 822678612 /nfs/dbraw/zinc/67/86/12/822678612.db2.gz XYENAWAAVLEVBD-DLBZAZTESA-N 1 0 377.492 4.103 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)C/C=C/c3cccc(F)c3)cc2)CC1 ZINC000180422901 822679102 /nfs/dbraw/zinc/67/91/02/822679102.db2.gz LTUMKLOZLMSWOI-GQCTYLIASA-N 1 0 381.495 4.398 20 0 GIADRO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]Cc1cccc(C(=O)N(C)C)c1 ZINC000048709940 822679146 /nfs/dbraw/zinc/67/91/46/822679146.db2.gz RBBOHVNFVYEHEX-UHFFFAOYSA-N 1 0 396.922 4.134 20 0 GIADRO c1ccc(Oc2cc(C[NH2+]Cc3ccc(N4CCOCC4)cc3)ccn2)cc1 ZINC000048711311 822679161 /nfs/dbraw/zinc/67/91/61/822679161.db2.gz JTPMEJGKLGOIMA-UHFFFAOYSA-N 1 0 375.472 4.000 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)Nc1cc(F)cc(F)c1F)[NH+]1CCCC1 ZINC000455588996 822679493 /nfs/dbraw/zinc/67/94/93/822679493.db2.gz PINJDUACGYUYHQ-QGZVFWFLSA-N 1 0 393.409 4.071 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)C3(c4ccccc4)CCC3)cc2)CC1 ZINC000180426019 822679746 /nfs/dbraw/zinc/67/97/46/822679746.db2.gz VUVXTRDJDVRVJC-UHFFFAOYSA-N 1 0 377.532 4.277 20 0 GIADRO O=C(NCCC1CC(F)(F)C1)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000455591552 822680068 /nfs/dbraw/zinc/68/00/68/822680068.db2.gz BVGFCZCXPIHNJE-UXHICEINSA-N 1 0 391.506 4.118 20 0 GIADRO CN(C(=O)N[C@H](c1ccccc1)C(F)F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000455593415 822680478 /nfs/dbraw/zinc/68/04/78/822680478.db2.gz HDONRIXTWIHJKO-HXUWFJFHSA-N 1 0 387.474 4.299 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N[C@H](c1ccccc1)C(F)F ZINC000455594791 822680860 /nfs/dbraw/zinc/68/08/60/822680860.db2.gz JBLIKQFQSVSZDI-SJLPKXTDSA-N 1 0 377.435 4.112 20 0 GIADRO CC(C)Oc1ccccc1C[NH2+]Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000048748355 822681009 /nfs/dbraw/zinc/68/10/09/822681009.db2.gz AEVHVTVRXRRSGC-UHFFFAOYSA-N 1 0 378.472 4.287 20 0 GIADRO COc1ccc(C[NH2+]Cc2ccc(Oc3c(OC)cccc3OC)nc2)cc1C ZINC000048749696 822681193 /nfs/dbraw/zinc/68/11/93/822681193.db2.gz QJKPRXOTJSRHKL-UHFFFAOYSA-N 1 0 394.471 4.498 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1cnc(-c2ccco2)s1 ZINC000180437347 822681751 /nfs/dbraw/zinc/68/17/51/822681751.db2.gz HFYCPWRROVVWOU-UHFFFAOYSA-N 1 0 396.516 4.177 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1cc2cc(F)ccc2o1 ZINC000180437683 822681927 /nfs/dbraw/zinc/68/19/27/822681927.db2.gz YDUSZUBQVFGPRK-UHFFFAOYSA-N 1 0 381.451 4.346 20 0 GIADRO COCCC1(C[NH2+][C@H](C)C(=O)Nc2ccc(OC(F)F)cc2)CCCCC1 ZINC000184728866 822683039 /nfs/dbraw/zinc/68/30/39/822683039.db2.gz SNNPCCTYMBIWHW-OAHLLOKOSA-N 1 0 384.467 4.192 20 0 GIADRO Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)NNc3cc[nH+]cc3)cc12 ZINC000180444263 822683165 /nfs/dbraw/zinc/68/31/65/822683165.db2.gz QWTKXZXRUAIAHL-UHFFFAOYSA-N 1 0 397.891 4.260 20 0 GIADRO CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000048787394 822683325 /nfs/dbraw/zinc/68/33/25/822683325.db2.gz IYUQHPGFLSGQMJ-MSOLQXFVSA-N 1 0 396.535 4.029 20 0 GIADRO COc1ccccc1SC[C@H](C)C[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000180445446 822683417 /nfs/dbraw/zinc/68/34/17/822683417.db2.gz LYUKRJWFERAJMV-SJORKVTESA-N 1 0 382.533 4.355 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)N[C@H](c2ccccc2)C(F)F)C1 ZINC000455607947 822683570 /nfs/dbraw/zinc/68/35/70/822683570.db2.gz XIGJLGRPHYEITI-ZHALLVOQSA-N 1 0 379.495 4.289 20 0 GIADRO CC(=O)Nc1cccc(OCC[NH2+][C@@H](C)[C@@H](C)c2nc3ccccc3s2)c1 ZINC000180448405 822684069 /nfs/dbraw/zinc/68/40/69/822684069.db2.gz OITQHEFHQSWGSA-CABCVRRESA-N 1 0 383.517 4.415 20 0 GIADRO Cc1nn(-c2ccccc2)cc1CCC[NH2+]Cc1csc(-c2ccccn2)n1 ZINC000048815478 822684216 /nfs/dbraw/zinc/68/42/16/822684216.db2.gz JSRIKXVWNVZKFZ-UHFFFAOYSA-N 1 0 389.528 4.422 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000180449740 822684296 /nfs/dbraw/zinc/68/42/96/822684296.db2.gz YDOXBIRJOHMOQU-VQTJNVASSA-N 1 0 399.485 4.228 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NCC(C)(C)C1=CCCC1 ZINC000455610558 822684312 /nfs/dbraw/zinc/68/43/12/822684312.db2.gz XYLUOQKKMJAHQH-UHFFFAOYSA-N 1 0 384.568 4.466 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000180451726 822684623 /nfs/dbraw/zinc/68/46/23/822684623.db2.gz NSMQGWZWLBWLDI-UHFFFAOYSA-N 1 0 388.515 4.455 20 0 GIADRO COc1ccc(-c2n[nH]cc2C[NH2+]CCCC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000048824966 822684722 /nfs/dbraw/zinc/68/47/22/822684722.db2.gz SVAWUFXDXOPNNM-UHFFFAOYSA-N 1 0 398.894 4.247 20 0 GIADRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c1O ZINC000184744521 822684819 /nfs/dbraw/zinc/68/48/19/822684819.db2.gz QQDKEJHDSQAKKL-ZDUSSCGKSA-N 1 0 389.805 4.107 20 0 GIADRO COc1cccc2[nH]cc(CC[NH2+]Cc3cc(OC)c(OC)cc3SC)c21 ZINC000180453074 822685053 /nfs/dbraw/zinc/68/50/53/822685053.db2.gz FRFDUXAASPYTAX-UHFFFAOYSA-N 1 0 386.517 4.248 20 0 GIADRO C[C@@H](c1ccccc1Br)N(C)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000455620995 822685460 /nfs/dbraw/zinc/68/54/60/822685460.db2.gz SUHMYMJWWMDVFA-AWEZNQCLSA-N 1 0 382.346 4.026 20 0 GIADRO C[C@H](NC(=O)Nc1cc(Cl)ccc1OC(F)(F)F)C1=CC[N@H+](C)CC1 ZINC000455638340 822688481 /nfs/dbraw/zinc/68/84/81/822688481.db2.gz KSWKYRUIWBSPLS-JTQLQIEISA-N 1 0 377.794 4.011 20 0 GIADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F ZINC000455639442 822688896 /nfs/dbraw/zinc/68/88/96/822688896.db2.gz MGOJMUUEJNNTJY-NSHDSACASA-N 1 0 393.837 4.433 20 0 GIADRO C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC000184776157 822689345 /nfs/dbraw/zinc/68/93/45/822689345.db2.gz XIQKUEPLTSRKFK-ZNLUXHQJSA-N 1 0 381.495 4.042 20 0 GIADRO Cc1cc(NC(=O)c2oc3ccccc3c2C[NH+](C)C)cnc1Br ZINC000180487786 822689925 /nfs/dbraw/zinc/68/99/25/822689925.db2.gz OKAVNIWRWXTKIR-UHFFFAOYSA-N 1 0 388.265 4.213 20 0 GIADRO COc1ccc(C(C)(C)C[NH2+][C@@H](c2cnn(C)c2)c2cccc(F)c2)cc1OC ZINC000180490424 822690413 /nfs/dbraw/zinc/69/04/13/822690413.db2.gz GXTIMLZYIXEDDX-JOCHJYFZSA-N 1 0 397.494 4.233 20 0 GIADRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CC(=O)N3CCCCCC3)s2)cc1 ZINC000184784897 822690503 /nfs/dbraw/zinc/69/05/03/822690503.db2.gz MRMWQEIALUVVDX-HNNXBMFYSA-N 1 0 387.549 4.180 20 0 GIADRO Cc1cccc(C[NH2+]C[C@@H]2CCN(c3ccc(Br)cc3)C2)c1O ZINC000180499846 822691617 /nfs/dbraw/zinc/69/16/17/822691617.db2.gz GDCYNWPBQHEAPO-HNNXBMFYSA-N 1 0 375.310 4.079 20 0 GIADRO CC[NH+](CC)CC1CCN(C(=O)c2cc(C3CC3)nc3onc(C(C)C)c32)CC1 ZINC000049075201 822692229 /nfs/dbraw/zinc/69/22/29/822692229.db2.gz NSKALIXWCPLSND-UHFFFAOYSA-N 1 0 398.551 4.418 20 0 GIADRO CC[NH+](CC)CC1CCN(C(=O)CCc2ncc(-c3ccc(C)cc3)o2)CC1 ZINC000049077309 822692385 /nfs/dbraw/zinc/69/23/85/822692385.db2.gz BYWCRGABVNKXJZ-UHFFFAOYSA-N 1 0 383.536 4.163 20 0 GIADRO CC[NH+](CC)CC1CCN(C(=O)c2ccc(C3SCCS3)cc2)CC1 ZINC000049077050 822692460 /nfs/dbraw/zinc/69/24/60/822692460.db2.gz GYYZVBPLOVDEOV-UHFFFAOYSA-N 1 0 378.607 4.359 20 0 GIADRO COc1ccc(NC(=O)C[C@@H](C)[NH2+]CCCc2ccc(Cl)cc2)c(OC)c1 ZINC000180506197 822692799 /nfs/dbraw/zinc/69/27/99/822692799.db2.gz SFDHNWCEZCJFTG-OAHLLOKOSA-N 1 0 390.911 4.297 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)Nc2ccc([C@H]3CCOC3)cc2)cc1 ZINC000455656727 822692856 /nfs/dbraw/zinc/69/28/56/822692856.db2.gz BMFIBIOQMCVZGI-NRFANRHFSA-N 1 0 381.520 4.354 20 0 GIADRO COc1ccc(OC(F)F)c(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cccs2)c1 ZINC000180505881 822692853 /nfs/dbraw/zinc/69/28/53/822692853.db2.gz WHRJUOZOZMCGIZ-HOCLYGCPSA-N 1 0 383.460 4.446 20 0 GIADRO Cc1ccc([C@H](CNC(=O)Nc2ccc([C@@H]3CCOC3)cc2)[NH+]2CCCC2)o1 ZINC000455657628 822692961 /nfs/dbraw/zinc/69/29/61/822692961.db2.gz DKHIWQRKDOHPEH-QUCCMNQESA-N 1 0 383.492 4.051 20 0 GIADRO Oc1ccc(Br)c(C[N@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)c1 ZINC000180507143 822693044 /nfs/dbraw/zinc/69/30/44/822693044.db2.gz QXYUCJWDRUAJMA-XJKSGUPXSA-N 1 0 382.323 4.304 20 0 GIADRO COc1cc(C[NH2+][C@@H](C)c2ccccc2N(C)C)cc(Br)c1OC ZINC000180507156 822693024 /nfs/dbraw/zinc/69/30/24/822693024.db2.gz AVUAAZCSLALWAW-ZDUSSCGKSA-N 1 0 393.325 4.383 20 0 GIADRO CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)c2ccc(C[NH+](CC)CC)o2)c1 ZINC000049117159 822693286 /nfs/dbraw/zinc/69/32/86/822693286.db2.gz ZMCLSTIBZGYLND-MRXNPFEDSA-N 1 0 385.508 4.036 20 0 GIADRO COc1cc(C[NH2+][C@@H](C)c2ccc(Cl)nc2)cc(Br)c1OC ZINC000180507399 822693335 /nfs/dbraw/zinc/69/33/35/822693335.db2.gz SRDOVFDRKFHGIF-JTQLQIEISA-N 1 0 385.689 4.366 20 0 GIADRO CCN(C(=O)Nc1ccc([C@@H]2CCOC2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000455659595 822693435 /nfs/dbraw/zinc/69/34/35/822693435.db2.gz GPBFVJFSGMCCCF-FYYLOGMGSA-N 1 0 393.531 4.319 20 0 GIADRO Cn1cc(C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2cccs2)c(-c2cccnc2)n1 ZINC000180508633 822693561 /nfs/dbraw/zinc/69/35/61/822693561.db2.gz FRGMUWWPFRWNSX-UXHICEINSA-N 1 0 396.560 4.412 20 0 GIADRO CCN(C(=O)Nc1ccc([C@H]2CCOC2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000455659598 822693719 /nfs/dbraw/zinc/69/37/19/822693719.db2.gz GPBFVJFSGMCCCF-JTHBVZDNSA-N 1 0 393.531 4.319 20 0 GIADRO C[NH+](C)Cc1c2ccccc2oc1C(=O)N[C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000180513873 822694399 /nfs/dbraw/zinc/69/43/99/822694399.db2.gz ZBOJBHXFKUGMMJ-ICSRJNTNSA-N 1 0 398.890 4.408 20 0 GIADRO CC[C@@H](NC(=O)NC[C@H](c1ccsc1)[NH+](C)C)c1ccccc1OC(F)F ZINC000049194672 822694744 /nfs/dbraw/zinc/69/47/44/822694744.db2.gz HBTSBGPJPJLIBL-HZPDHXFCSA-N 1 0 397.491 4.403 20 0 GIADRO CC[C@@H](C)[NH2+][C@H](CNC(=O)Nc1ccc(N(C(C)=O)C2CC2)cc1)c1ccco1 ZINC000455668532 822696224 /nfs/dbraw/zinc/69/62/24/822696224.db2.gz VCPJFIXLZGGNJT-FOIQADDNSA-N 1 0 398.507 4.046 20 0 GIADRO CC[C@H](C)[NH2+][C@H](CNC(=O)Nc1ccc(N(C(C)=O)C2CC2)cc1)c1ccco1 ZINC000455668535 822696251 /nfs/dbraw/zinc/69/62/51/822696251.db2.gz VCPJFIXLZGGNJT-MGPUTAFESA-N 1 0 398.507 4.046 20 0 GIADRO CCC[C@@H](NC(=O)Nc1ccnn1CC[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000455670052 822696566 /nfs/dbraw/zinc/69/65/66/822696566.db2.gz PMNNLHUCIMRNEI-MRXNPFEDSA-N 1 0 397.445 4.126 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)C1CCC(F)(F)CC1)c1cccc(C(F)(F)F)c1 ZINC000184829961 822696687 /nfs/dbraw/zinc/69/66/87/822696687.db2.gz KTNJCTZFEUKXGX-OAHLLOKOSA-N 1 0 378.385 4.250 20 0 GIADRO O=C(Nc1ccc(C2CCC2)cn1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000455672821 822697034 /nfs/dbraw/zinc/69/70/34/822697034.db2.gz FMOLKUKNWYQAKF-FGZHOGPDSA-N 1 0 390.531 4.335 20 0 GIADRO Cc1noc(C)c1[C@H](C)CC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000184834165 822697461 /nfs/dbraw/zinc/69/74/61/822697461.db2.gz OAPFJEFPSHYSHL-SJKOYZFVSA-N 1 0 397.441 4.223 20 0 GIADRO C[C@H]([NH2+]C[C@@H](c1cccc(Cl)c1)N1CCOCC1)c1cccnc1Cl ZINC000180535675 822698063 /nfs/dbraw/zinc/69/80/63/822698063.db2.gz CFSWUDYYQMALNI-KSSFIOAISA-N 1 0 380.319 4.113 20 0 GIADRO CN(C(=O)Nc1ccc([C@H]2CCOC2)cc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000455678063 822698519 /nfs/dbraw/zinc/69/85/19/822698519.db2.gz WPFJERMUIUQWCT-JTHBVZDNSA-N 1 0 393.531 4.319 20 0 GIADRO C[C@@H]([NH2+]C(C)(C)CN[C@H](c1cnn(C)c1)c1cccc(F)c1)c1ccccc1 ZINC000180540590 822698922 /nfs/dbraw/zinc/69/89/22/822698922.db2.gz HIMJEJGNEJYFSN-VGSWGCGISA-N 1 0 380.511 4.368 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(N(C(C)=O)C2CC2)cc1)CC(C)C ZINC000455679983 822699100 /nfs/dbraw/zinc/69/91/00/822699100.db2.gz HUHSJBNUCKBGFC-OAQYLSRUSA-N 1 0 388.556 4.080 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](c1ccco1)N1CCCC1)c1cc(Br)ccc1O ZINC000184844876 822699176 /nfs/dbraw/zinc/69/91/76/822699176.db2.gz SETIRHXDWWEBTL-CJNGLKHVSA-N 1 0 379.298 4.235 20 0 GIADRO O=C(CCOc1ccc2ccccc2c1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180551747 822700784 /nfs/dbraw/zinc/70/07/84/822700784.db2.gz HVCAEUXFWVODFT-UHFFFAOYSA-N 1 0 389.499 4.037 20 0 GIADRO CCOCCC1(CNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CCCC1 ZINC000184871487 822704553 /nfs/dbraw/zinc/70/45/53/822704553.db2.gz SXSDEQBLZUPLIY-UHFFFAOYSA-N 1 0 386.580 4.392 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1O)c1ccc2c(c1)OCCO2 ZINC000184875449 822705199 /nfs/dbraw/zinc/70/51/99/822705199.db2.gz YUSHJHRYEFDOCT-RYUDHWBXSA-N 1 0 378.266 4.338 20 0 GIADRO COc1ccc(C[C@H](C)C(=O)NCc2ccccc2C[N@H+](C)C(C)C)cc1OC ZINC000180578479 822705682 /nfs/dbraw/zinc/70/56/82/822705682.db2.gz XYKQZWHKQOWSRT-SFHVURJKSA-N 1 0 398.547 4.039 20 0 GIADRO O=C1O[C@H](C[NH2+][C@H](CC(F)(F)F)c2ccc(F)cc2)CN1c1ccccc1 ZINC000180580125 822705695 /nfs/dbraw/zinc/70/56/95/822705695.db2.gz UKLRJQOUKORQTG-IAGOWNOFSA-N 1 0 382.357 4.434 20 0 GIADRO CCOc1cc(CCC[NH2+][C@@H](c2cnn(C)c2)c2cccc(F)c2)ccc1OC ZINC000180578741 822705735 /nfs/dbraw/zinc/70/57/35/822705735.db2.gz VJFBFMQYWSTFFK-HSZRJFAPSA-N 1 0 397.494 4.278 20 0 GIADRO CC1(C(=O)N2CCC[C@H](Nc3ccccc3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000184882751 822706580 /nfs/dbraw/zinc/70/65/80/822706580.db2.gz LXLRFIMSYVMSFC-QHCPKHFHSA-N 1 0 391.559 4.392 20 0 GIADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2c(C)oc3ccccc32)cc1 ZINC000184884023 822706797 /nfs/dbraw/zinc/70/67/97/822706797.db2.gz SEXMTBCFMDMOHD-UHFFFAOYSA-N 1 0 393.487 4.065 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1O)c1ccc(-n2cncn2)cc1 ZINC000184885232 822706973 /nfs/dbraw/zinc/70/69/73/822706973.db2.gz SZDYXUBCVYRREE-STQMWFEESA-N 1 0 387.281 4.147 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1cc(Br)ccc1O)c1ccc(-n2cncn2)cc1 ZINC000184884502 822706998 /nfs/dbraw/zinc/70/69/98/822706998.db2.gz NARQRADKLAZMTF-CHWSQXEVSA-N 1 0 387.281 4.147 20 0 GIADRO Cn1cc(NC(=O)N(CC[NH+](C)C)Cc2ccccc2)c(C2CCCCC2)n1 ZINC000455704245 822707375 /nfs/dbraw/zinc/70/73/75/822707375.db2.gz ADWHOEIZLYYFAN-UHFFFAOYSA-N 1 0 383.540 4.064 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1)C(=O)NC1CCCC1 ZINC000180603334 822709745 /nfs/dbraw/zinc/70/97/45/822709745.db2.gz LSPKLEHXPDWYQL-HZPDHXFCSA-N 1 0 397.494 4.176 20 0 GIADRO CCN(Cc1ccncc1)C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000049790456 822709825 /nfs/dbraw/zinc/70/98/25/822709825.db2.gz ZNQHKARKIGTULH-IBGZPJMESA-N 1 0 386.565 4.148 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)N[C@H](c1ccco1)c1ccccc1)c1cccc(F)c1 ZINC000049798450 822710194 /nfs/dbraw/zinc/71/01/94/822710194.db2.gz CUTVFDSLPLUJIL-FPOVZHCZSA-N 1 0 381.451 4.110 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)N(Cc1ccco1)Cc1ccccc1)c1cccc(F)c1 ZINC000049798392 822710238 /nfs/dbraw/zinc/71/02/38/822710238.db2.gz JGKVWMUSBMUGEO-QFIPXVFZSA-N 1 0 395.478 4.433 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000180604318 822710268 /nfs/dbraw/zinc/71/02/68/822710268.db2.gz YFCFWEWMWNNJIK-MRXNPFEDSA-N 1 0 391.446 4.367 20 0 GIADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Nc1ccc2c(c1)CCCC2=O ZINC000455714346 822710728 /nfs/dbraw/zinc/71/07/28/822710728.db2.gz MNNRECDNFGNGDQ-UHFFFAOYSA-N 1 0 399.457 4.334 20 0 GIADRO CCC(C)(C)NC(=O)C[NH2+][C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000180608110 822711341 /nfs/dbraw/zinc/71/13/41/822711341.db2.gz ORKOFANBUFBQJN-OAHLLOKOSA-N 1 0 385.483 4.033 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)N3CC[C@@H](c4ccccc4)[C@H]3C)c2)CC1 ZINC000184909381 822711595 /nfs/dbraw/zinc/71/15/95/822711595.db2.gz JNLSKLFZUXTUHG-AUSIDOKSSA-N 1 0 392.547 4.238 20 0 GIADRO C[C@@H]([NH2+]Cc1ccccc1Cn1cccn1)c1ccc(Br)cc1O ZINC000184911451 822711998 /nfs/dbraw/zinc/71/19/98/822711998.db2.gz JACQBYIAVPJYAR-CQSZACIVSA-N 1 0 386.293 4.250 20 0 GIADRO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)Nc1nc(CC(F)(F)F)cs1 ZINC000455718940 822712591 /nfs/dbraw/zinc/71/25/91/822712591.db2.gz IHHTZFNZMOSTGS-HNNXBMFYSA-N 1 0 398.454 4.034 20 0 GIADRO C[C@H]1CCN(C(=O)Nc2ccccc2OCCF)CC[N@@H+]1Cc1ccccc1 ZINC000455718715 822712597 /nfs/dbraw/zinc/71/25/97/822712597.db2.gz BWULTSAPRKLHKR-SFHVURJKSA-N 1 0 385.483 4.163 20 0 GIADRO CC[C@@H]1c2ccsc2CCN1C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1 ZINC000184918744 822712912 /nfs/dbraw/zinc/71/29/12/822712912.db2.gz AZQOPYDDDDYXPN-HXUWFJFHSA-N 1 0 398.576 4.431 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(Cn2cccn2)cc1)c1ccc(Br)cc1O ZINC000184920365 822713234 /nfs/dbraw/zinc/71/32/34/822713234.db2.gz YVEUQMKTTMWJRW-CQSZACIVSA-N 1 0 386.293 4.250 20 0 GIADRO C[C@H](NC(=O)Nc1nc(CC(F)(F)F)cs1)[C@H](c1ccccc1)[NH+](C)C ZINC000455721459 822713399 /nfs/dbraw/zinc/71/33/99/822713399.db2.gz KDCMTJOAEMZEBW-SMDDNHRTSA-N 1 0 386.443 4.061 20 0 GIADRO Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c(C2CC2)n1 ZINC000455722121 822713653 /nfs/dbraw/zinc/71/36/53/822713653.db2.gz XKLSAXRPCFJQMQ-WIYYLYMNSA-N 1 0 377.532 4.393 20 0 GIADRO C[NH+](C)CCCC1CCN(C(=O)Nc2ccn(-c3ccccc3Cl)n2)CC1 ZINC000180620615 822714044 /nfs/dbraw/zinc/71/40/44/822714044.db2.gz WNPQHDLYYPTMEN-UHFFFAOYSA-N 1 0 389.931 4.111 20 0 GIADRO C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000184926336 822714225 /nfs/dbraw/zinc/71/42/25/822714225.db2.gz FEAIPCOXFOMQFY-MRXNPFEDSA-N 1 0 376.928 4.026 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccccc1OCCF ZINC000455725857 822714591 /nfs/dbraw/zinc/71/45/91/822714591.db2.gz RZCAMGINVUBPHF-LJQANCHMSA-N 1 0 385.483 4.021 20 0 GIADRO Cc1cc(N2CCCC2)ccc1NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000050028306 822715013 /nfs/dbraw/zinc/71/50/13/822715013.db2.gz OXFKZBHECVBZDB-NRFANRHFSA-N 1 0 377.532 4.446 20 0 GIADRO CSc1ccc([C@@H](CNC(=O)Nc2ccccc2OCCF)[NH+](C)C)cc1 ZINC000455729031 822715665 /nfs/dbraw/zinc/71/56/65/822715665.db2.gz BKTRNEQCTIJIGN-GOSISDBHSA-N 1 0 391.512 4.181 20 0 GIADRO C[C@H](C[NH2+][C@H](C[S@](C)=O)c1ccccc1)c1cccc(Br)c1 ZINC000184938218 822715862 /nfs/dbraw/zinc/71/58/62/822715862.db2.gz YHDMCFYFMRBEHD-KEQGGVEFSA-N 1 0 380.351 4.262 20 0 GIADRO Cc1cc2ccccc2c(NC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000455738812 822717546 /nfs/dbraw/zinc/71/75/46/822717546.db2.gz GYZOXLVDQPKPII-UHFFFAOYSA-N 1 0 381.520 4.257 20 0 GIADRO C[C@@H]([NH2+]CCn1cccn1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000184956359 822718226 /nfs/dbraw/zinc/71/82/26/822718226.db2.gz ALAPVNNNTVGIJJ-GFCCVEGCSA-N 1 0 377.311 4.120 20 0 GIADRO CCCn1ncc(NC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1C1CC1 ZINC000455745302 822718582 /nfs/dbraw/zinc/71/85/82/822718582.db2.gz CZBXYEQKOPEJMB-IBGZPJMESA-N 1 0 395.551 4.156 20 0 GIADRO CCCn1ncc(NC(=O)N2CC[N@H+](Cc3ccccc3)[C@H](CC)C2)c1C1CC1 ZINC000455747311 822718978 /nfs/dbraw/zinc/71/89/78/822718978.db2.gz GHBQUERJFMLYFH-HXUWFJFHSA-N 1 0 395.551 4.299 20 0 GIADRO Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]Cc1cc(=O)n2ccccc2n1 ZINC000184963638 822719178 /nfs/dbraw/zinc/71/91/78/822719178.db2.gz SNGSIUVVEHJOFT-LJQANCHMSA-N 1 0 375.497 4.138 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2c(C)ccc(F)c2Br)C[C@@H]1C ZINC000455753416 822719989 /nfs/dbraw/zinc/71/99/89/822719989.db2.gz PPCCFRIIDADIMB-QWHCGFSZSA-N 1 0 386.309 4.233 20 0 GIADRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)N(Cc1cccs1)C1CC1 ZINC000050137779 822720016 /nfs/dbraw/zinc/72/00/16/822720016.db2.gz VDJPUAGPRLITSJ-INIZCTEOSA-N 1 0 389.590 4.396 20 0 GIADRO COCc1ccccc1CNC(=O)C[NH2+][C@@H](Cc1ccccc1)c1cccs1 ZINC000184978063 822720713 /nfs/dbraw/zinc/72/07/13/822720713.db2.gz XXLQJRSOWHLJNX-NRFANRHFSA-N 1 0 394.540 4.084 20 0 GIADRO CCOc1ccc(Cl)c(NC(=O)N(C)CCC[N@H+](C)Cc2ccco2)c1 ZINC000455762225 822721762 /nfs/dbraw/zinc/72/17/62/822721762.db2.gz YTOCJLSERGHMRR-UHFFFAOYSA-N 1 0 379.888 4.318 20 0 GIADRO C[C@H]([NH2+]C[C@@H]1CCN(c2ccccc2)C1)c1cc(Br)ccc1O ZINC000184998009 822723580 /nfs/dbraw/zinc/72/35/80/822723580.db2.gz RNLYCQOTXCFKTF-GJZGRUSLSA-N 1 0 375.310 4.332 20 0 GIADRO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@H]2CCSc3c(F)cccc32)cc1 ZINC000185004677 822724338 /nfs/dbraw/zinc/72/43/38/822724338.db2.gz HFGCTEHVDTWNRB-KSSFIOAISA-N 1 0 379.522 4.123 20 0 GIADRO CSc1cccc(C)c1NC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000185008000 822724638 /nfs/dbraw/zinc/72/46/38/822724638.db2.gz OKSJSTYIBVKKGD-UHFFFAOYSA-N 1 0 384.549 4.421 20 0 GIADRO COc1cccc(CN(CC[NH+](C)C)C(=O)Nc2cccc(OC(C)C)c2)c1 ZINC000455781487 822725607 /nfs/dbraw/zinc/72/56/07/822725607.db2.gz LWSLFPHVFZAMOH-UHFFFAOYSA-N 1 0 385.508 4.078 20 0 GIADRO CCOc1ccc(Cl)c(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000455787505 822726615 /nfs/dbraw/zinc/72/66/15/822726615.db2.gz YTMHGQLFMCHRLA-IFXJQAMLSA-N 1 0 377.916 4.219 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc(C(=O)NCC(C)C)cc2C)cc1 ZINC000050382677 822728276 /nfs/dbraw/zinc/72/82/76/822728276.db2.gz QBMCTGRLLQSXGE-UHFFFAOYSA-N 1 0 395.547 4.475 20 0 GIADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)Nc2ccccc2C(C)(F)F)cc1 ZINC000455797048 822728360 /nfs/dbraw/zinc/72/83/60/822728360.db2.gz WKQHEDJELSENHQ-GOSISDBHSA-N 1 0 377.435 4.231 20 0 GIADRO CCOc1ccc([C@H]([NH2+]Cc2cc(-c3cnn(C)c3)no2)C(C)C)cc1OCC ZINC000185048822 822729101 /nfs/dbraw/zinc/72/91/01/822729101.db2.gz OUJLEJOOHFJLGY-JOCHJYFZSA-N 1 0 398.507 4.359 20 0 GIADRO COc1cccc([C@@H](CNC(=O)Nc2ccccc2C(C)(F)F)[NH+](C)C)c1 ZINC000455804848 822729365 /nfs/dbraw/zinc/72/93/65/822729365.db2.gz KACXUAUCJAAZAL-GOSISDBHSA-N 1 0 377.435 4.231 20 0 GIADRO CN(CC[N@H+](C)C1CC1)C(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000185052257 822729596 /nfs/dbraw/zinc/72/95/96/822729596.db2.gz CRLZLYUGDNRSAC-OAQYLSRUSA-N 1 0 390.531 4.035 20 0 GIADRO CC[C@H]([NH2+][C@H](C)c1cc(Cl)ccc1O)c1ccccc1OCC(=O)N(C)C ZINC000185075386 822733519 /nfs/dbraw/zinc/73/35/19/822733519.db2.gz TWOIRPOQBVOJLM-KDOFPFPSSA-N 1 0 390.911 4.315 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CC[C@H](COc4ccccc4)C3)ccc21 ZINC000455840329 822735075 /nfs/dbraw/zinc/73/50/75/822735075.db2.gz DHOOPRULFWCHGP-HTAPYJJXSA-N 1 0 379.504 4.168 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)NCc3c(F)cc(F)c(F)c3F)ccc21 ZINC000455840180 822735095 /nfs/dbraw/zinc/73/50/95/822735095.db2.gz DBHPECGGQMMXER-INIZCTEOSA-N 1 0 381.373 4.114 20 0 GIADRO COC[C@@H](NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)c1ccc(Cl)cc1 ZINC000455845577 822735997 /nfs/dbraw/zinc/73/59/97/822735997.db2.gz HRJJCFWVWRNKKF-UXHICEINSA-N 1 0 387.911 4.398 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCO[C@@H](c4cccc(Cl)c4)C3)ccc21 ZINC000455846281 822736191 /nfs/dbraw/zinc/73/61/91/822736191.db2.gz IENYVNQWUXCTPJ-NHCUHLMSSA-N 1 0 399.922 4.494 20 0 GIADRO Cc1nn(-c2ccccc2)cc1CNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455848669 822736447 /nfs/dbraw/zinc/73/64/47/822736447.db2.gz JZSOWJHMFDGEDB-QFIPXVFZSA-N 1 0 389.503 4.051 20 0 GIADRO COc1cccc(-c2noc([C@@H](C)NCc3ccc(C(=O)OC(C)C)cc3)n2)c1 ZINC000185114845 822738988 /nfs/dbraw/zinc/73/89/88/822738988.db2.gz HIDNAWBKCXUWPG-OAHLLOKOSA-N 1 0 395.459 4.161 20 0 GIADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(CSCC)cc2)[C@H](C)C1 ZINC000455864400 822739275 /nfs/dbraw/zinc/73/92/75/822739275.db2.gz RAAQSCXTOVXVON-YLJYHZDGSA-N 1 0 393.597 4.198 20 0 GIADRO CC(C)n1ncc2cc(C[NH2+]C[C@@](C)(O)c3cccc(Cl)c3)c(Cl)nc21 ZINC000185119289 822739291 /nfs/dbraw/zinc/73/92/91/822739291.db2.gz POIXPVCVURKLOB-LJQANCHMSA-N 1 0 393.318 4.316 20 0 GIADRO Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455868752 822739894 /nfs/dbraw/zinc/73/98/94/822739894.db2.gz WCMJIMHLFHPTQG-JLTOFOAXSA-N 1 0 383.540 4.378 20 0 GIADRO CN(CCCOCc1ccccc1)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455871713 822740459 /nfs/dbraw/zinc/74/04/59/822740459.db2.gz YKLKTSKZPSIUTL-JOCHJYFZSA-N 1 0 381.520 4.306 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)NC[C@@H]3CCN(c4ccccc4F)C3)ccc21 ZINC000455872776 822740625 /nfs/dbraw/zinc/74/06/25/822740625.db2.gz ZCYWIIKFANYDTK-KKSFZXQISA-N 1 0 396.510 4.023 20 0 GIADRO CCCOc1ccc(Oc2ncccc2CNCc2c[nH+]ccc2N(C)C)cc1 ZINC000185141191 822742068 /nfs/dbraw/zinc/74/20/68/822742068.db2.gz CUOJBIFPXJFMFT-UHFFFAOYSA-N 1 0 392.503 4.414 20 0 GIADRO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000051060027 822745321 /nfs/dbraw/zinc/74/53/21/822745321.db2.gz BXLCLGBSOUCALB-OAQYLSRUSA-N 1 0 393.531 4.067 20 0 GIADRO CN(Cc1nc(C(F)(F)F)cs1)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455902972 822745643 /nfs/dbraw/zinc/74/56/43/822745643.db2.gz GRRMQYONAUHBNC-AWEZNQCLSA-N 1 0 398.454 4.375 20 0 GIADRO COc1ccc(C[N@H+](C)CC2CCN(C(=O)C(C)(C)C)CC2)cc1OC(F)F ZINC000185179368 822746118 /nfs/dbraw/zinc/74/61/18/822746118.db2.gz BZXMOKGLDZVYBP-UHFFFAOYSA-N 1 0 398.494 4.013 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC[C@H]3CCN(c4ccc(F)cc4)C3)ccc21 ZINC000455906970 822746555 /nfs/dbraw/zinc/74/65/55/822746555.db2.gz HVJFZBTVACNHMA-OPAMFIHVSA-N 1 0 396.510 4.023 20 0 GIADRO C[N@H+](CCC(=O)N1CCc2sccc2C1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051131982 822747025 /nfs/dbraw/zinc/74/70/25/822747025.db2.gz HNEMNZCAOVSDES-NFBKMPQASA-N 1 0 398.572 4.123 20 0 GIADRO Cc1ccc(OC[C@H](O)C[N@@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)c(C)c1 ZINC000051131971 822747040 /nfs/dbraw/zinc/74/70/40/822747040.db2.gz QIYSFCCIOBXETO-WMTXJRDZSA-N 1 0 383.532 4.143 20 0 GIADRO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132882 822747317 /nfs/dbraw/zinc/74/73/17/822747317.db2.gz RYINFQNUFWRLNH-LDBYXDLTSA-N 1 0 388.458 4.392 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CCC(OCC4CCCC4)CC3)ccc21 ZINC000455910848 822747550 /nfs/dbraw/zinc/74/75/50/822747550.db2.gz IWDADPQQGCBNOX-QFIPXVFZSA-N 1 0 385.552 4.439 20 0 GIADRO C[C@@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cn(C)c2ccccc12 ZINC000185200181 822748711 /nfs/dbraw/zinc/74/87/11/822748711.db2.gz JUVBOGGVEIRPIO-MSOLQXFVSA-N 1 0 395.572 4.372 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CC[C@@H](COCc4ccccc4)C3)ccc21 ZINC000455919657 822749458 /nfs/dbraw/zinc/74/94/58/822749458.db2.gz LLRPBZIAJIAPSM-AUSIDOKSSA-N 1 0 393.531 4.306 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N(CCCO)[C@H]3CCc4ccccc43)ccc21 ZINC000455920607 822749597 /nfs/dbraw/zinc/74/95/97/822749597.db2.gz LQIMYSOYMXKJES-PKTZIBPZSA-N 1 0 393.531 4.139 20 0 GIADRO COc1ccc(C[NH2+][C@@H]2c3ccccc3C[C@@H]2O)cc1OCc1ccccc1 ZINC000051188222 822749945 /nfs/dbraw/zinc/74/99/45/822749945.db2.gz VJUFVHZBULPOMQ-XUZZJYLKSA-N 1 0 375.468 4.022 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1ccc(OC(C)(C)C)cc1 ZINC000185212343 822749977 /nfs/dbraw/zinc/74/99/77/822749977.db2.gz RTANZUHYHJCNJH-MRXNPFEDSA-N 1 0 375.534 4.259 20 0 GIADRO CS(=O)(=O)CCCCC[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000185218885 822750470 /nfs/dbraw/zinc/75/04/70/822750470.db2.gz FNKLOEPBWXRNCP-UHFFFAOYSA-N 1 0 389.439 4.270 20 0 GIADRO C[C@@H]1CN(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C[C@H](c2ccc(F)cc2)O1 ZINC000455929959 822751471 /nfs/dbraw/zinc/75/14/71/822751471.db2.gz ONDGBXDZMLCFSH-KBJGYGKASA-N 1 0 397.494 4.369 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)NC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)c1 ZINC000455931820 822751830 /nfs/dbraw/zinc/75/18/30/822751830.db2.gz PUXVVCQZYKNVBV-QKKBWIMNSA-N 1 0 380.492 4.077 20 0 GIADRO COc1cc(CNC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)c2ccccc2n1 ZINC000455935328 822752847 /nfs/dbraw/zinc/75/28/47/822752847.db2.gz RMNXMOZCVPRCSE-NRFANRHFSA-N 1 0 390.487 4.114 20 0 GIADRO CCCCCNC(=O)C1CC[NH+](C[C@@H](C)Cc2ccc(OC)c(F)c2)CC1 ZINC000185238224 822753204 /nfs/dbraw/zinc/75/32/04/822753204.db2.gz IPSLEYJDTRZNTH-KRWDZBQOSA-N 1 0 378.532 4.031 20 0 GIADRO COc1ccc(C[C@H](C)C[NH+]2CCC(C(=O)Nc3ccc(C)cn3)CC2)cc1F ZINC000185239121 822753252 /nfs/dbraw/zinc/75/32/52/822753252.db2.gz YXDGINHFCFDGMW-KRWDZBQOSA-N 1 0 399.510 4.067 20 0 GIADRO CCOC(=O)C[C@@H](NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)c1ccccc1 ZINC000455942185 822754424 /nfs/dbraw/zinc/75/44/24/822754424.db2.gz UWARSRYQHXIBPJ-RTWAWAEBSA-N 1 0 395.503 4.052 20 0 GIADRO C[C@H]1CN(C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)C(C)(C)C1 ZINC000455943663 822754730 /nfs/dbraw/zinc/75/47/30/822754730.db2.gz LMSXWNOOGQLOFN-CQSZACIVSA-N 1 0 379.932 4.465 20 0 GIADRO CN(Cc1ccc(Br)o1)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455945580 822755385 /nfs/dbraw/zinc/75/53/85/822755385.db2.gz WKMGXSQQAKSURH-MRXNPFEDSA-N 1 0 392.297 4.255 20 0 GIADRO CC(C)c1nc(C2(NC(=O)Nc3ccc4c(c3)CC[C@@H]4[NH+](C)C)CCCC2)no1 ZINC000455945544 822755424 /nfs/dbraw/zinc/75/54/24/822755424.db2.gz WHHAHMYJYPDNAX-SFHVURJKSA-N 1 0 397.523 4.333 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC3(c4cccc(F)c4)CCOCC3)ccc21 ZINC000455949706 822756569 /nfs/dbraw/zinc/75/65/69/822756569.db2.gz YXCPUCPLIPEGAE-OAQYLSRUSA-N 1 0 397.494 4.202 20 0 GIADRO C[C@@H]1CCSCCN1C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000455950749 822756663 /nfs/dbraw/zinc/75/66/63/822756663.db2.gz YSSKZNFXMHFVCD-CQSZACIVSA-N 1 0 397.972 4.172 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCCc3nc(C(F)(F)F)cs3)ccc21 ZINC000455950471 822756700 /nfs/dbraw/zinc/75/67/00/822756700.db2.gz ZLBGZURTHKVUMC-CQSZACIVSA-N 1 0 398.454 4.075 20 0 GIADRO CC(C)c1ccc2c(c1)[C@H]([NH2+]Cc1cnc(N3CCOCC3)c(F)c1)CCCO2 ZINC000185268805 822757288 /nfs/dbraw/zinc/75/72/88/822757288.db2.gz NTZUXUNEXJRHON-OAQYLSRUSA-N 1 0 399.510 4.184 20 0 GIADRO COc1ccc(C[C@@H](C)C[NH2+]Cc2ccc(Cn3ccccc3=O)cc2)cc1F ZINC000185279597 822758744 /nfs/dbraw/zinc/75/87/44/822758744.db2.gz OVQRPGFQVLHVQF-GOSISDBHSA-N 1 0 394.490 4.013 20 0 GIADRO Cc1ccc(-n2ncc(NC3CC[NH+](C(C)C)CC3)c(Cl)c2=O)cc1Cl ZINC000051405668 822758812 /nfs/dbraw/zinc/75/88/12/822758812.db2.gz KNKVOCOLEPEDEU-UHFFFAOYSA-N 1 0 395.334 4.132 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(Cl)cc(Br)c2)C1 ZINC000455968486 822758834 /nfs/dbraw/zinc/75/88/34/822758834.db2.gz JYHPZWVRSZMKCN-LBPRGKRZSA-N 1 0 388.737 4.298 20 0 GIADRO Cc1ncc(C[N@H+](C)C[C@@H](O)CO[C@H](c2ccccc2)c2ccccc2C)s1 ZINC000051408095 822758947 /nfs/dbraw/zinc/75/89/47/822758947.db2.gz JMPFIQKHDWOCOV-NFBKMPQASA-N 1 0 396.556 4.359 20 0 GIADRO Cc1ncc(C[N@H+](C)C[C@H](O)CO[C@H](c2ccccc2)c2ccccc2C)s1 ZINC000051408100 822758998 /nfs/dbraw/zinc/75/89/98/822758998.db2.gz JMPFIQKHDWOCOV-NZQKXSOJSA-N 1 0 396.556 4.359 20 0 GIADRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1cccc(N2CCOC2=O)c1 ZINC000185281206 822759068 /nfs/dbraw/zinc/75/90/68/822759068.db2.gz HXQYZPFUFBOSCX-LBPRGKRZSA-N 1 0 375.812 4.056 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)c1ccccc1C(F)(F)F ZINC000185289379 822760205 /nfs/dbraw/zinc/76/02/05/822760205.db2.gz VCIVJHPCGJYHCQ-CQSZACIVSA-N 1 0 398.450 4.096 20 0 GIADRO Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000174275719 822761227 /nfs/dbraw/zinc/76/12/27/822761227.db2.gz BEKVANYTIWMWOD-SFTDATJTSA-N 1 0 397.588 4.468 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000174276592 822761547 /nfs/dbraw/zinc/76/15/47/822761547.db2.gz DGBFTOPIBGQHDG-QGPMSJSTSA-N 1 0 386.565 4.304 20 0 GIADRO CC[N@@H+](Cc1cccc(C(=O)NCc2ccco2)c1)C[C@@H](O)c1ccc(C)cc1 ZINC000174281963 822762605 /nfs/dbraw/zinc/76/26/05/822762605.db2.gz IFDGGEAXCATDHZ-HSZRJFAPSA-N 1 0 392.499 4.074 20 0 GIADRO C[C@H](c1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1)C(F)(F)F ZINC000455993311 822763109 /nfs/dbraw/zinc/76/31/09/822763109.db2.gz KZVUODUNWHMHAG-DKSSEZFCSA-N 1 0 380.454 4.441 20 0 GIADRO Cc1ccc(C(=O)NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c(C2CC2)n1 ZINC000455994133 822763308 /nfs/dbraw/zinc/76/33/08/822763308.db2.gz LRZQTXYHZAHEAV-AZUAARDMSA-N 1 0 377.532 4.298 20 0 GIADRO COCc1cccc(CNc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)c1 ZINC000174291576 822764368 /nfs/dbraw/zinc/76/43/68/822764368.db2.gz ZUYASWCAVHYPSM-UHFFFAOYSA-N 1 0 381.520 4.260 20 0 GIADRO C[C@@H]([NH2+]C[C@](C)(O)c1cccc(Cl)c1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000185314177 822764367 /nfs/dbraw/zinc/76/43/67/822764367.db2.gz HIBXNMYSYHBRBC-SZNDQCEHSA-N 1 0 387.911 4.182 20 0 GIADRO Cc1csc([C@H](NC(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C2CC2)n1 ZINC000174292636 822764851 /nfs/dbraw/zinc/76/48/51/822764851.db2.gz OVWAWJBOZUYOHB-WOJBJXKFSA-N 1 0 398.576 4.209 20 0 GIADRO CC(C)[NH+]1CCC(N[C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000174295065 822765529 /nfs/dbraw/zinc/76/55/29/822765529.db2.gz MQPHCGZNERKOHL-CYBMUJFWSA-N 1 0 382.430 4.279 20 0 GIADRO CCN(CC)C(=O)CCC1CC[NH+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000185322447 822765775 /nfs/dbraw/zinc/76/57/75/822765775.db2.gz GSODLIAACMNHAB-UHFFFAOYSA-N 1 0 381.904 4.109 20 0 GIADRO Cc1cnc([C@@H]([NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)C2CC2)s1 ZINC000185329805 822766935 /nfs/dbraw/zinc/76/69/35/822766935.db2.gz YKKCSRKLCWDTLG-BBRMVZONSA-N 1 0 387.332 4.239 20 0 GIADRO Cc1cc(NC(=O)N(CC[NH+](C)C)Cc2ccccn2)ccc1C(F)(F)F ZINC000174301067 822767069 /nfs/dbraw/zinc/76/70/69/822767069.db2.gz SVKYZXLHGJZROG-UHFFFAOYSA-N 1 0 380.414 4.005 20 0 GIADRO CC(=O)N1CC[C@H]([NH2+]Cc2cccc(OC(F)F)c2)c2ccc(F)cc2C1 ZINC000185352926 822769955 /nfs/dbraw/zinc/76/99/55/822769955.db2.gz KTQAKTKWZPGAJE-IBGZPJMESA-N 1 0 378.394 4.010 20 0 GIADRO CC(=O)N1CC[C@H]([NH2+]Cc2cccc3c2OC(C)(C)C3)c2ccc(F)cc2C1 ZINC000185355670 822770336 /nfs/dbraw/zinc/77/03/36/822770336.db2.gz UVUWFXDCSFOULJ-NRFANRHFSA-N 1 0 382.479 4.122 20 0 GIADRO Cc1cccn2c(C[NH2+]Cc3cc(Br)ccc3OC(F)F)cnc12 ZINC000174355802 822777146 /nfs/dbraw/zinc/77/71/46/822777146.db2.gz DJKGRMVPZKAKSJ-UHFFFAOYSA-N 1 0 396.235 4.296 20 0 GIADRO CC(C)(CNC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000051777914 822778139 /nfs/dbraw/zinc/77/81/39/822778139.db2.gz FFXGTLOKKKUAES-UHFFFAOYSA-N 1 0 384.351 4.197 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc(Cl)ccc1F)c1ccc(-n2cccn2)cc1 ZINC000174369748 822779438 /nfs/dbraw/zinc/77/94/38/822779438.db2.gz JTVNOCKGGHDECU-KGLIPLIRSA-N 1 0 386.858 4.343 20 0 GIADRO C[NH+](C)CCn1ccc2ccc(NC(=O)c3csc(-c4ccoc4)n3)cc21 ZINC000174370784 822779448 /nfs/dbraw/zinc/77/94/48/822779448.db2.gz YAUBMGWXXDYQLI-UHFFFAOYSA-N 1 0 380.473 4.172 20 0 GIADRO Cn1cc([C@H]([NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)c2ccc(F)cc2)cn1 ZINC000185415285 822780886 /nfs/dbraw/zinc/78/08/86/822780886.db2.gz UJVBNORKFFNQRE-RBUKOAKNSA-N 1 0 394.277 4.279 20 0 GIADRO CCc1cc2c(C[NH2+][C@@H](C)c3ccc(-n4cccn4)cc3)cc(=O)oc2cc1O ZINC000174380114 822781060 /nfs/dbraw/zinc/78/10/60/822781060.db2.gz DYTWJSYSHPQHFB-HNNXBMFYSA-N 1 0 389.455 4.098 20 0 GIADRO O=C(NCc1ccccc1)C1CC[NH+](Cc2c(Cl)ccc3cccnc32)CC1 ZINC000051954824 822783652 /nfs/dbraw/zinc/78/36/52/822783652.db2.gz XQUTZLMKHAOFBK-UHFFFAOYSA-N 1 0 393.918 4.417 20 0 GIADRO C[C@@H](CNC(=O)c1ccccc1Oc1cccnc1)[N@@H+]1CCc2ccccc2C1 ZINC000051982564 822785471 /nfs/dbraw/zinc/78/54/71/822785471.db2.gz IJIPPLBOLCHKGG-SFHVURJKSA-N 1 0 387.483 4.051 20 0 GIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccccc2Oc2cccnc2)C1 ZINC000051983147 822785806 /nfs/dbraw/zinc/78/58/06/822785806.db2.gz BFPDVXWDKJFSSJ-ICSRJNTNSA-N 1 0 387.483 4.439 20 0 GIADRO Cc1nn(-c2ccccc2)cc1CCC[NH2+]Cc1ccc(Oc2cnccn2)cc1 ZINC000174407927 822786221 /nfs/dbraw/zinc/78/62/21/822786221.db2.gz AEDCQYWOMLAPSP-UHFFFAOYSA-N 1 0 399.498 4.485 20 0 GIADRO FC(F)(F)c1cccc(-c2noc(CN3CCC([NH+]4CCCCC4)CC3)n2)c1 ZINC000052002292 822786363 /nfs/dbraw/zinc/78/63/63/822786363.db2.gz LOHDSWLCAPANEP-UHFFFAOYSA-N 1 0 394.441 4.206 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)c1ccnc(Oc2ccc(F)cc2F)c1 ZINC000456177528 822786498 /nfs/dbraw/zinc/78/64/98/822786498.db2.gz YFTIMMIYIPGBMX-UHFFFAOYSA-N 1 0 377.435 4.002 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)C[NH2+]C2(Cc3ccccc3)CCCCC2)cc1 ZINC000185460966 822787129 /nfs/dbraw/zinc/78/71/29/822787129.db2.gz JKBFVEAYLITWFI-UHFFFAOYSA-N 1 0 379.504 4.119 20 0 GIADRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCSC[C@@H]2C2CC2)c1 ZINC000456187244 822787193 /nfs/dbraw/zinc/78/71/93/822787193.db2.gz SUBHUJNLYJJLLZ-JOCHJYFZSA-N 1 0 380.557 4.286 20 0 GIADRO CC[NH+](CC)CCSCC(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000174419159 822787590 /nfs/dbraw/zinc/78/75/90/822787590.db2.gz RHKQENQOZQFWAF-UHFFFAOYSA-N 1 0 391.606 4.077 20 0 GIADRO COCc1cc(C[NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)ccc1F ZINC000174422414 822787855 /nfs/dbraw/zinc/78/78/55/822787855.db2.gz GDSBNBDHNJWKFJ-IBGZPJMESA-N 1 0 393.886 4.473 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)c2ccccc2Oc2cccnc2)c1 ZINC000052027146 822788326 /nfs/dbraw/zinc/78/83/26/822788326.db2.gz YIHHIAUVFJWESP-UHFFFAOYSA-N 1 0 375.472 4.256 20 0 GIADRO O[C@@H]1CCC[C@@H](C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)C1 ZINC000174427478 822788501 /nfs/dbraw/zinc/78/85/01/822788501.db2.gz BDCNIXYTJNEOFL-NFBKMPQASA-N 1 0 375.516 4.239 20 0 GIADRO O[C@H]1CCC[C@H](C[NH2+]Cc2csc(-c3cccc(Br)c3)n2)C1 ZINC000174428546 822788791 /nfs/dbraw/zinc/78/87/91/822788791.db2.gz IVVPWHIQCMSGRP-LRDDRELGSA-N 1 0 381.339 4.213 20 0 GIADRO O[C@@H]1CCC[C@H](C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccs2)C1 ZINC000174429720 822789104 /nfs/dbraw/zinc/78/91/04/822789104.db2.gz WRYUQWXDGJIYOG-AZUAARDMSA-N 1 0 381.545 4.301 20 0 GIADRO Cn1c(=S)n(CN2CCC[N@@H+](C(C)(C)C)CC2)nc1-c1ccccc1Cl ZINC000052087341 822790183 /nfs/dbraw/zinc/79/01/83/822790183.db2.gz BLXFNLAZMDETCZ-UHFFFAOYSA-N 1 0 393.988 4.035 20 0 GIADRO O=C(CC[NH+]1CCC(O)(c2ccccc2)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000185491569 822790249 /nfs/dbraw/zinc/79/02/49/822790249.db2.gz BBITUQAHFWWNEY-UHFFFAOYSA-N 1 0 392.421 4.018 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)CSc3ccc(C(F)(F)F)cn3)ccc21 ZINC000456257837 822790833 /nfs/dbraw/zinc/79/08/33/822790833.db2.gz DCSOFHZQHBKNLN-INIZCTEOSA-N 1 0 395.450 4.380 20 0 GIADRO COc1ccc(NC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC000174452684 822791709 /nfs/dbraw/zinc/79/17/09/822791709.db2.gz ZKOLENYKLJYGAU-QGZVFWFLSA-N 1 0 387.911 4.334 20 0 GIADRO COc1ccc(C(=O)CCCC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)cc1 ZINC000456270246 822792224 /nfs/dbraw/zinc/79/22/24/822792224.db2.gz KCEQDPJXWKLESM-OAQYLSRUSA-N 1 0 380.488 4.236 20 0 GIADRO COCCOc1ccc(Cl)cc1C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000456270303 822792262 /nfs/dbraw/zinc/79/22/62/822792262.db2.gz KGJAWNTXVMGUEJ-LJQANCHMSA-N 1 0 388.895 4.166 20 0 GIADRO Cc1ccc(-c2noc(CCC[NH+]3CCC(O)(c4ccccc4)CC3)n2)cc1F ZINC000185515980 822792647 /nfs/dbraw/zinc/79/26/47/822792647.db2.gz OIDVYPFPEKKHJY-UHFFFAOYSA-N 1 0 395.478 4.100 20 0 GIADRO O=C1OCCN1c1cccc2c1CC[N@@H+](CC1CCC(C(F)(F)F)CC1)C2 ZINC000185518439 822792754 /nfs/dbraw/zinc/79/27/54/822792754.db2.gz JUHXXORRZAITCM-UHFFFAOYSA-N 1 0 382.426 4.370 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)c1cc(Cl)c2c(c1)OCCO2)c1ccc2ccccc2c1O ZINC000185518044 822792806 /nfs/dbraw/zinc/79/28/06/822792806.db2.gz PCYAQKQMWVPWNE-DJJJIMSYSA-N 1 0 399.874 4.354 20 0 GIADRO C[NH+](C)Cc1ccsc1C(=O)N[C@H]1CCc2c1ccc(F)c2Br ZINC000456276992 822793017 /nfs/dbraw/zinc/79/30/17/822793017.db2.gz NLSXYGZXKCYPLM-AWEZNQCLSA-N 1 0 397.313 4.129 20 0 GIADRO Cc1c(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)nnn1-c1ccccc1Cl ZINC000456277455 822793156 /nfs/dbraw/zinc/79/31/56/822793156.db2.gz OGNSZTMYXJJYEH-SFHVURJKSA-N 1 0 395.894 4.030 20 0 GIADRO CC(=O)N[C@H](CC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)c1ccc(Cl)cc1 ZINC000456283517 822794043 /nfs/dbraw/zinc/79/40/43/822794043.db2.gz STGNPULSCRICAS-RTWAWAEBSA-N 1 0 399.922 4.095 20 0 GIADRO CC(=O)c1cccc(OCCCC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)c1 ZINC000456283293 822794045 /nfs/dbraw/zinc/79/40/45/822794045.db2.gz SLEYXTYUMYVHMZ-QFIPXVFZSA-N 1 0 380.488 4.236 20 0 GIADRO COc1ccc(C(=O)C[C@@H](C)C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)cc1 ZINC000456284818 822794196 /nfs/dbraw/zinc/79/41/96/822794196.db2.gz UHZMIJYFZQJOBS-QVKFZJNVSA-N 1 0 380.488 4.092 20 0 GIADRO CC(C)NC(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)c1 ZINC000456287950 822794465 /nfs/dbraw/zinc/79/44/65/822794465.db2.gz WJISBZYIRMHQHA-FQEVSTJZSA-N 1 0 380.492 4.018 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)CSc2cccc3cccc(Cl)c32)C1 ZINC000174473000 822794763 /nfs/dbraw/zinc/79/47/63/822794763.db2.gz KQOLAUXHDNFNRX-OAHLLOKOSA-N 1 0 376.953 4.386 20 0 GIADRO CN(C)c1nc2sc(C(=O)Nc3ccc4c(c3)CC[C@@H]4[NH+](C)C)cc2s1 ZINC000456291181 822794910 /nfs/dbraw/zinc/79/49/10/822794910.db2.gz YVGWYHNYNZFWDS-AWEZNQCLSA-N 1 0 386.546 4.225 20 0 GIADRO CC(C)Oc1ccc(NC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)c(F)c1 ZINC000052267621 822795248 /nfs/dbraw/zinc/79/52/48/822795248.db2.gz NYPNMPFCBRWYMM-LJQANCHMSA-N 1 0 377.435 4.176 20 0 GIADRO CCOc1ccc([C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C(C)C)cc1OCC ZINC000174479840 822795252 /nfs/dbraw/zinc/79/52/52/822795252.db2.gz QWXDXFFXFSBWPF-JOCHJYFZSA-N 1 0 390.568 4.418 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(-c2cncnc2)cc1F)c1ccccc1 ZINC000185546618 822795260 /nfs/dbraw/zinc/79/52/60/822795260.db2.gz KRLRDCMPVNJCLE-JOCHJYFZSA-N 1 0 392.478 4.096 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cccc(OCc3ccc(Cl)cc3)c2)C1 ZINC000174492230 822796307 /nfs/dbraw/zinc/79/63/07/822796307.db2.gz YZTKEYXYDNVDFK-SFHVURJKSA-N 1 0 386.923 4.333 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccccc2OCc2ccccc2Cl)C1 ZINC000174494178 822796508 /nfs/dbraw/zinc/79/65/08/822796508.db2.gz UKAZTKINXLEAGF-QGZVFWFLSA-N 1 0 386.923 4.333 20 0 GIADRO CC(C)Sc1ccccc1C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000174504162 822798062 /nfs/dbraw/zinc/79/80/62/822798062.db2.gz RXOZHSOLULYXJW-UHFFFAOYSA-N 1 0 398.572 4.074 20 0 GIADRO CCc1ccccc1O[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000456320928 822798240 /nfs/dbraw/zinc/79/82/40/822798240.db2.gz OMDLCUCYCVRMNR-VYTWWXLVSA-N 1 0 378.516 4.111 20 0 GIADRO c1ccc(C[NH+]2CCC(Nc3nc(-c4ccncc4)nc4ccccc43)CC2)nc1 ZINC000052407620 822798254 /nfs/dbraw/zinc/79/82/54/822798254.db2.gz UBPZHIVMEKGMHP-UHFFFAOYSA-N 1 0 396.498 4.163 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)N2CCO[C@H](c3ccc(F)cc3Cl)C2)c1 ZINC000185575986 822798341 /nfs/dbraw/zinc/79/83/41/822798341.db2.gz BROAWZBLDAEACS-IBGZPJMESA-N 1 0 391.874 4.146 20 0 GIADRO Cc1ccc(Sc2ncccc2C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(C)c1 ZINC000456323544 822798381 /nfs/dbraw/zinc/79/83/81/822798381.db2.gz UWBOHFBWKLPUSI-AYHJJNSGSA-N 1 0 381.545 4.205 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)Cc3ccc(F)cc3Br)ccc21 ZINC000456327806 822798683 /nfs/dbraw/zinc/79/86/83/822798683.db2.gz RDIRUKUCKWHBTD-GOSISDBHSA-N 1 0 391.284 4.318 20 0 GIADRO C[N@@H+](Cc1ccccc1N1CCCC1)C[C@@H](O)c1ccccc1C(F)(F)F ZINC000052439810 822799718 /nfs/dbraw/zinc/79/97/18/822799718.db2.gz AUPQANHEMOQZQF-HXUWFJFHSA-N 1 0 378.438 4.471 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174519648 822800045 /nfs/dbraw/zinc/80/00/45/822800045.db2.gz IUTNRABFTQTJSR-MRXNPFEDSA-N 1 0 387.524 4.206 20 0 GIADRO CCn1ccnc1[C@@H](C)NC(=O)[C@@H](c1cccc(C(F)(F)F)c1)[NH+](CC)CC ZINC000456339334 822800044 /nfs/dbraw/zinc/80/00/44/822800044.db2.gz CACVJVCNGPFTQB-RHSMWYFYSA-N 1 0 396.457 4.182 20 0 GIADRO C[C@@H]1CCc2c(sc3ncnc(NC4CC[NH+](Cc5ccncc5)CC4)c23)C1 ZINC000052447752 822800094 /nfs/dbraw/zinc/80/00/94/822800094.db2.gz OXVDWHQLDIASLE-OAHLLOKOSA-N 1 0 393.560 4.288 20 0 GIADRO Cc1ccc(-c2ncc(C[NH2+]CCCN3C(=O)COc4ccccc43)s2)cc1 ZINC000174524763 822800702 /nfs/dbraw/zinc/80/07/02/822800702.db2.gz QAOLEKKLPPNHCY-UHFFFAOYSA-N 1 0 393.512 4.024 20 0 GIADRO C[C@H](CC(=O)c1ccccc1F)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000456349123 822800977 /nfs/dbraw/zinc/80/09/77/822800977.db2.gz VPQKYTREQACUFP-RBUKOAKNSA-N 1 0 396.506 4.015 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)NCCC(=O)OC(C)(C)C)C1CCCCC1 ZINC000174526124 822801110 /nfs/dbraw/zinc/80/11/10/822801110.db2.gz ZVHUSLJSWWJLHO-UHFFFAOYSA-N 1 0 389.540 4.304 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2c(C)onc2-c2c(Cl)cccc2Cl)C1 ZINC000174528619 822801495 /nfs/dbraw/zinc/80/14/95/822801495.db2.gz GZCWCPQHWWEJBL-CYBMUJFWSA-N 1 0 396.318 4.371 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(-c3cc(F)c(F)c(F)c3)cc2)C1 ZINC000174544871 822803374 /nfs/dbraw/zinc/80/33/74/822803374.db2.gz MAJYOHZKMKZNQD-CQSZACIVSA-N 1 0 376.422 4.185 20 0 GIADRO CN(C[C@@H]1CCCCO1)C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000052559858 822803712 /nfs/dbraw/zinc/80/37/12/822803712.db2.gz MFUPETUYYNCYFF-QFIPXVFZSA-N 1 0 387.568 4.162 20 0 GIADRO COC(C)(C)C[C@H](C)[NH2+]Cc1csc(N(C(C)=O)c2ccc(F)cc2)n1 ZINC000174553328 822804278 /nfs/dbraw/zinc/80/42/78/822804278.db2.gz YQSNPOXFVNEIFI-ZDUSSCGKSA-N 1 0 379.501 4.260 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]CC(=O)Nc1c(C)cc(C)cc1C ZINC000185630241 822804325 /nfs/dbraw/zinc/80/43/25/822804325.db2.gz FZLZWNPMSLUSIA-CQSZACIVSA-N 1 0 396.457 4.277 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)[C@H]1COc2ccccc21 ZINC000185631145 822804412 /nfs/dbraw/zinc/80/44/12/822804412.db2.gz QEBPTJUXJXJSHM-BXUZGUMPSA-N 1 0 398.812 4.452 20 0 GIADRO COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000185640393 822805707 /nfs/dbraw/zinc/80/57/07/822805707.db2.gz DCYANCMSGIRBOE-AWEZNQCLSA-N 1 0 376.884 4.350 20 0 GIADRO C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1cn(C)c2ccccc12 ZINC000185643926 822806054 /nfs/dbraw/zinc/80/60/54/822806054.db2.gz HKECGWLAQRKDEP-IRFCIJBXSA-N 1 0 389.543 4.451 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccnc2Cl)cc1OCC ZINC000052659682 822806622 /nfs/dbraw/zinc/80/66/22/822806622.db2.gz FCGDHIWMZUJQPK-KBPBESRZSA-N 1 0 391.899 4.210 20 0 GIADRO CCc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1c(C)nn(CC(F)(F)F)c1C ZINC000185654058 822807209 /nfs/dbraw/zinc/80/72/09/822807209.db2.gz BVOCPLGYAMZSHN-GXTWGEPZSA-N 1 0 396.457 4.302 20 0 GIADRO COc1ccc([C@H](CNC(=O)N(C)[C@@H](C)c2ccccc2)[NH+]2CCCC2)cc1 ZINC000052684903 822807273 /nfs/dbraw/zinc/80/72/73/822807273.db2.gz YFAAXANUAUUQPT-AVRDEDQJSA-N 1 0 381.520 4.235 20 0 GIADRO CC(C)c1ncsc1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000456444384 822807406 /nfs/dbraw/zinc/80/74/06/822807406.db2.gz WCPHNNZPZXWJAB-OAHLLOKOSA-N 1 0 379.476 4.362 20 0 GIADRO COc1cc(C[NH2+]C[C@H](C)Oc2cccc(F)c2)ccc1OCc1ccncc1 ZINC000174580913 822807853 /nfs/dbraw/zinc/80/78/53/822807853.db2.gz RLYJRHBGJKFIGN-KRWDZBQOSA-N 1 0 396.462 4.365 20 0 GIADRO CC[C@H](NC(=O)CN[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(Cl)cc1 ZINC000185665213 822808179 /nfs/dbraw/zinc/80/81/79/822808179.db2.gz MLVMVUVRSVQBGT-BLIXFSHQSA-N 1 0 391.987 4.150 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)C(C)(C)NC(=O)Nc2ccccc2)c1 ZINC000174586123 822808490 /nfs/dbraw/zinc/80/84/90/822808490.db2.gz VZVXFYJMEFYSDC-UHFFFAOYSA-N 1 0 382.508 4.067 20 0 GIADRO C[C@H](NCC(=O)Nc1ccccc1SC(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185674200 822808905 /nfs/dbraw/zinc/80/89/05/822808905.db2.gz MPUZWJCWVAVYNI-GJZGRUSLSA-N 1 0 397.535 4.182 20 0 GIADRO Cc1ccccc1C(=O)NC1CC[NH+](Cc2cc(-c3ccccc3)no2)CC1 ZINC000052747081 822809285 /nfs/dbraw/zinc/80/92/85/822809285.db2.gz GSLFBPZOLTVGDP-UHFFFAOYSA-N 1 0 375.472 4.044 20 0 GIADRO COC(=O)COc1ccc([C@@H](C)[NH2+]Cc2ccccc2Oc2cccnc2)cc1 ZINC000185683715 822809773 /nfs/dbraw/zinc/80/97/73/822809773.db2.gz TULDWRDRTWOTKU-QGZVFWFLSA-N 1 0 392.455 4.277 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)CC[N@@H+]1C ZINC000174597679 822810149 /nfs/dbraw/zinc/81/01/49/822810149.db2.gz OIYUPWJJLZWFBX-ZBFHGGJFSA-N 1 0 398.473 4.252 20 0 GIADRO C[C@@H](CC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)C(=O)c1cccc(F)c1 ZINC000174600888 822810595 /nfs/dbraw/zinc/81/05/95/822810595.db2.gz HOOIYKXOWBGVDZ-RBUKOAKNSA-N 1 0 388.527 4.149 20 0 GIADRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000185692828 822810748 /nfs/dbraw/zinc/81/07/48/822810748.db2.gz LCJOCUHIRRTXLP-QIPRVMPFSA-N 1 0 399.516 4.088 20 0 GIADRO C[C@@H](N[C@@H](C)C(=O)Nc1ccc2ccccc2c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185697906 822811230 /nfs/dbraw/zinc/81/12/30/822811230.db2.gz HTPHQLYVOGISER-LVCYWYKZSA-N 1 0 379.548 4.409 20 0 GIADRO CC(C)[C@@H](CNC(=O)c1cccc(NC(=O)c2ccco2)c1)[NH+]1CCC(C)CC1 ZINC000052822805 822812024 /nfs/dbraw/zinc/81/20/24/822812024.db2.gz ILESMSYZPJHDFB-HXUWFJFHSA-N 1 0 397.519 4.018 20 0 GIADRO C[NH+]1CCC(CC(=O)N[C@H](Cc2ccccc2)c2nc3ccccc3s2)CC1 ZINC000456520205 822812609 /nfs/dbraw/zinc/81/26/09/822812609.db2.gz JQRCQZJDMKEKCH-HXUWFJFHSA-N 1 0 393.556 4.428 20 0 GIADRO O=C(c1cccc(C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)c1)N1CCCCC1 ZINC000052866882 822813234 /nfs/dbraw/zinc/81/32/34/822813234.db2.gz SUUNPHZRDFHGCC-XMMPIXPASA-N 1 0 392.543 4.494 20 0 GIADRO CC[NH+]1CCN(Cc2ccc(NC(=O)[C@H]3CCC[C@H](C(F)(F)F)C3)cc2)CC1 ZINC000052877304 822813782 /nfs/dbraw/zinc/81/37/82/822813782.db2.gz SVIFRILWUHCIQC-ROUUACIJSA-N 1 0 397.485 4.131 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1c(C)nn(C(C)(C)C)c1C)c1ccsc1 ZINC000052877860 822813890 /nfs/dbraw/zinc/81/38/90/822813890.db2.gz ORMRGDFMIHWIFY-QGZVFWFLSA-N 1 0 376.570 4.129 20 0 GIADRO Cc1nc(CSc2ccccc2C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cs1 ZINC000174625286 822814103 /nfs/dbraw/zinc/81/41/03/822814103.db2.gz IGMPZEURYTYVCG-SJORKVTESA-N 1 0 387.574 4.053 20 0 GIADRO O=C(N[C@@H]1CCO[C@@H](c2cccs2)C1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000456543350 822814508 /nfs/dbraw/zinc/81/45/08/822814508.db2.gz PXBZQZRLESQIOX-VAMGGRTRSA-N 1 0 384.545 4.139 20 0 GIADRO CS(=O)(=O)c1cccc([C@@H]([NH2+]Cc2cccc3[nH]ccc32)c2ccccc2)c1 ZINC000174631148 822814691 /nfs/dbraw/zinc/81/46/91/822814691.db2.gz LURPEPPEDKXYSF-QHCPKHFHSA-N 1 0 390.508 4.451 20 0 GIADRO CCOc1ccc(NC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000174631721 822814866 /nfs/dbraw/zinc/81/48/66/822814866.db2.gz JFTGFVSNZKSYRA-IBGZPJMESA-N 1 0 397.519 4.080 20 0 GIADRO CS(=O)(=O)c1cccc([C@H]([NH2+]C/C=C/c2ccccc2)c2ccccc2)c1 ZINC000174632597 822815007 /nfs/dbraw/zinc/81/50/07/822815007.db2.gz VYMVBJHOLWCMSO-JYLQPTBZSA-N 1 0 377.509 4.483 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)N[C@H](c2nc(C)cs2)C2CC2)cc1 ZINC000174632991 822815051 /nfs/dbraw/zinc/81/50/51/822815051.db2.gz MYHYYUAMLOYHHU-IBGZPJMESA-N 1 0 386.565 4.244 20 0 GIADRO C[C@@H](NCc1coc(-c2c(F)cccc2F)n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185730365 822815565 /nfs/dbraw/zinc/81/55/65/822815565.db2.gz MPHPEQOEGVBOMZ-HUUCEWRRSA-N 1 0 375.463 4.362 20 0 GIADRO C[N@H+](Cc1ccco1)Cc1ccccc1CNc1nnc(-c2ccccn2)s1 ZINC000185733536 822815705 /nfs/dbraw/zinc/81/57/05/822815705.db2.gz MUEDIZJKXNMOQL-UHFFFAOYSA-N 1 0 391.500 4.437 20 0 GIADRO C[C@H](NCC(=O)N[C@@H](c1cccs1)C(C)(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185740277 822816535 /nfs/dbraw/zinc/81/65/35/822816535.db2.gz WWMDYPQCPXLIHA-FIKGOQFSSA-N 1 0 391.625 4.194 20 0 GIADRO COCc1c(C(=O)NCC2([NH+](C)C)CCCCC2)sc2cccc(F)c21 ZINC000052951142 822816509 /nfs/dbraw/zinc/81/65/09/822816509.db2.gz ANGMUPDNBWXEEP-UHFFFAOYSA-N 1 0 378.513 4.181 20 0 GIADRO C[C@H](NC(=O)CN[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccc2ccccc2c1 ZINC000185744328 822816973 /nfs/dbraw/zinc/81/69/73/822816973.db2.gz OIUIXPSXFAIGIC-SFYKDHMMSA-N 1 0 393.575 4.260 20 0 GIADRO C[C@H](C(=O)N1CCCCCC1)[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000052993688 822817972 /nfs/dbraw/zinc/81/79/72/822817972.db2.gz GLLAMTLITXKPLZ-OAHLLOKOSA-N 1 0 389.927 4.452 20 0 GIADRO C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000052994129 822818183 /nfs/dbraw/zinc/81/81/83/822818183.db2.gz LCOGQTOLRCGFFS-PGRDOPGGSA-N 1 0 397.563 4.009 20 0 GIADRO Cc1ccc(-c2cc(CN(C)C3CC[NH+](CCc4ccccn4)CC3)on2)cc1 ZINC000174658726 822819571 /nfs/dbraw/zinc/81/95/71/822819571.db2.gz WEAKEPWVUMVWHS-UHFFFAOYSA-N 1 0 390.531 4.184 20 0 GIADRO Cc1onc(-c2ccc(F)cc2)c1C(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000053056193 822820078 /nfs/dbraw/zinc/82/00/78/822820078.db2.gz MNVYMHIDPNMKCB-HOTGVXAUSA-N 1 0 387.499 4.277 20 0 GIADRO Cc1cc2cc(C(=O)NC3CC[NH+](C4CCC4)CC3)oc2c(Br)c1 ZINC000456680139 822822030 /nfs/dbraw/zinc/82/20/30/822822030.db2.gz DOGKITTYZXRJLN-UHFFFAOYSA-N 1 0 391.309 4.250 20 0 GIADRO CC(=O)c1ccc(NC(=O)CC[N@@H+](C)Cc2cccc(C(F)(F)F)c2)cc1 ZINC000053112475 822822264 /nfs/dbraw/zinc/82/22/64/822822264.db2.gz ZJPHLRCCVQQLBI-UHFFFAOYSA-N 1 0 378.394 4.369 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)c1ccc2c(ccn2Cc2ccccc2)c1 ZINC000456683564 822822308 /nfs/dbraw/zinc/82/23/08/822822308.db2.gz LZTDCLGIMZOIIP-UHFFFAOYSA-N 1 0 387.527 4.436 20 0 GIADRO CC[C@H](Cc1ccccc1Br)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000456685031 822822428 /nfs/dbraw/zinc/82/24/28/822822428.db2.gz PQRHPRUBAFHBNG-OAHLLOKOSA-N 1 0 393.369 4.151 20 0 GIADRO CC[NH+](CC)[C@H](CNc1ncccc1C(=O)N1CCCCC1)c1ccsc1 ZINC000174681025 822822643 /nfs/dbraw/zinc/82/26/43/822822643.db2.gz OVVDZFYVJWTKIN-LJQANCHMSA-N 1 0 386.565 4.264 20 0 GIADRO CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)c2cc(=O)[nH]c3cc(F)ccc32)CC1 ZINC000456691744 822823230 /nfs/dbraw/zinc/82/32/30/822823230.db2.gz KZANHMSXOJXMSU-UHFFFAOYSA-N 1 0 387.499 4.052 20 0 GIADRO CO[C@@H](C)c1nc(C)c(C(=O)N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)s1 ZINC000456696883 822823740 /nfs/dbraw/zinc/82/37/40/822823740.db2.gz QOMRJHDPXIXEJL-HNNXBMFYSA-N 1 0 381.586 4.132 20 0 GIADRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000185816037 822823765 /nfs/dbraw/zinc/82/37/65/822823765.db2.gz XFNXPGYQRPYWNW-LEWJYISDSA-N 1 0 387.568 4.251 20 0 GIADRO CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)c2ccc(-c3ccco3)[nH]c2=O)CC1 ZINC000456695933 822823806 /nfs/dbraw/zinc/82/38/06/822823806.db2.gz PMIUJMMMETVJJK-UHFFFAOYSA-N 1 0 385.508 4.020 20 0 GIADRO O=C([C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1C[C@@H]2CCC(=O)c3cccc1c32 ZINC000185821136 822824336 /nfs/dbraw/zinc/82/43/36/822824336.db2.gz CDPMJDWDZQLIBF-ROUUACIJSA-N 1 0 392.474 4.145 20 0 GIADRO Cc1nc2ccccc2n1CC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000053187715 822825510 /nfs/dbraw/zinc/82/55/10/822825510.db2.gz LVWRLRPYHVWQBE-GOSISDBHSA-N 1 0 390.531 4.036 20 0 GIADRO C[C@@H]([NH2+]Cc1csc(CC(=O)N(C)C)n1)[C@H](C)c1ccccc1C(F)(F)F ZINC000185833135 822825586 /nfs/dbraw/zinc/82/55/86/822825586.db2.gz OISBWFNSICYCAS-QWHCGFSZSA-N 1 0 399.482 4.074 20 0 GIADRO C[C@H]([NH2+]Cc1csc(CC(=O)N(C)C)n1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000185833157 822825613 /nfs/dbraw/zinc/82/56/13/822825613.db2.gz OISBWFNSICYCAS-OLZOCXBDSA-N 1 0 399.482 4.074 20 0 GIADRO COc1ccc2c(c1)nc(C[NH2+]Cc1ccc(-n3cnc4ccccc43)cc1)n2C ZINC000185838297 822826026 /nfs/dbraw/zinc/82/60/26/822826026.db2.gz VIHIRVWXEKTSAH-UHFFFAOYSA-N 1 0 397.482 4.211 20 0 GIADRO C[NH+]1CCC(CCNC(=O)N(Cc2c(F)cccc2F)C2CCCC2)CC1 ZINC000174710677 822827146 /nfs/dbraw/zinc/82/71/46/822827146.db2.gz UONPJXVXWFBZPH-UHFFFAOYSA-N 1 0 379.495 4.151 20 0 GIADRO COc1cc(NC(=O)CC[N@H+](C)[C@H]2CCc3ccccc32)c(OC)cc1Cl ZINC000174712515 822827202 /nfs/dbraw/zinc/82/72/02/822827202.db2.gz GTVWQZWVYGFDPW-SFHVURJKSA-N 1 0 388.895 4.305 20 0 GIADRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)CCc1ncc(C(C)(C)C)o1 ZINC000185851393 822827395 /nfs/dbraw/zinc/82/73/95/822827395.db2.gz SMMLUJRBPHRPAE-ROUUACIJSA-N 1 0 397.563 4.178 20 0 GIADRO COc1ccc([C@H](C[NH2+][C@@H](C)c2cc(Cl)ccc2O)N(C)C)cc1OC ZINC000185873978 822829025 /nfs/dbraw/zinc/82/90/25/822829025.db2.gz FJQUFUVHDYNPCZ-GUYCJALGSA-N 1 0 378.900 4.016 20 0 GIADRO Cc1nnc(-c2cccc(C(=O)NC3CC[NH+]([C@@H](C)c4ccccc4)CC3)c2)o1 ZINC000174728230 822829264 /nfs/dbraw/zinc/82/92/64/822829264.db2.gz AAIHZQATOJYSBB-INIZCTEOSA-N 1 0 390.487 4.000 20 0 GIADRO Cc1oc2ccccc2c1CNC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000185885344 822830190 /nfs/dbraw/zinc/83/01/90/822830190.db2.gz XKBNJHAPFHWKCR-MRXNPFEDSA-N 1 0 392.503 4.161 20 0 GIADRO C[C@H](C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1)c1cccnc1 ZINC000174740831 822830947 /nfs/dbraw/zinc/83/09/47/822830947.db2.gz XBYOXFLNKIUBIU-FQEVSTJZSA-N 1 0 379.548 4.036 20 0 GIADRO CC[NH+](CC)[C@@H](C(=O)N[C@H](C)c1nc(-c2cccc(F)c2)no1)c1ccccc1 ZINC000174746537 822831611 /nfs/dbraw/zinc/83/16/11/822831611.db2.gz JWSKXFDRUHEJJW-DNVCBOLYSA-N 1 0 396.466 4.136 20 0 GIADRO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000053399408 822832942 /nfs/dbraw/zinc/83/29/42/822832942.db2.gz SEOHIFSMEJUDST-HOCLYGCPSA-N 1 0 382.323 4.087 20 0 GIADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(C3SCCS3)cc2)C1 ZINC000053403835 822833341 /nfs/dbraw/zinc/83/33/41/822833341.db2.gz GWPYMZUCXZEFPC-HNNXBMFYSA-N 1 0 378.607 4.406 20 0 GIADRO Cc1nc(-c2ccccc2)oc1C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000174767939 822834544 /nfs/dbraw/zinc/83/45/44/822834544.db2.gz QHJYIQOEJYUOCO-UHFFFAOYSA-N 1 0 377.488 4.420 20 0 GIADRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)C[C@@H](C)C(=O)c2cccc(F)c2)c1 ZINC000174767903 822834602 /nfs/dbraw/zinc/83/46/02/822834602.db2.gz RIXBYYWKRNNCEZ-QGZVFWFLSA-N 1 0 384.495 4.191 20 0 GIADRO C[NH+](C)Cc1ccsc1C(=O)N1CCC(Cc2c(F)cccc2F)CC1 ZINC000456820004 822834897 /nfs/dbraw/zinc/83/48/97/822834897.db2.gz HEQXYSNLFSPVOF-UHFFFAOYSA-N 1 0 378.488 4.183 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)Cc2ncc(-c3ccc(Br)cc3)o2)[C@H](C)C1 ZINC000174779140 822835807 /nfs/dbraw/zinc/83/58/07/822835807.db2.gz PMGVJFIPKVNWQQ-RHSMWYFYSA-N 1 0 392.341 4.266 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)CC[N@@H+]1C ZINC000174780155 822836011 /nfs/dbraw/zinc/83/60/11/822836011.db2.gz DFNFFBWFMRPMGJ-JXFKEZNVSA-N 1 0 395.507 4.277 20 0 GIADRO Cc1ccc(Br)cc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000174783513 822836464 /nfs/dbraw/zinc/83/64/64/822836464.db2.gz OVXQLZGFXSBKKF-CVEARBPZSA-N 1 0 380.330 4.237 20 0 GIADRO Cc1cc(-c2nc3cc(F)ccc3n2C)ccc1NC(=O)N(C)CCC[NH+](C)C ZINC000185957990 822837241 /nfs/dbraw/zinc/83/72/41/822837241.db2.gz ASMPYBVMDJGATE-UHFFFAOYSA-N 1 0 397.498 4.103 20 0 GIADRO CCc1nc(C)c([C@@H](C)N(C)C(=O)NCCC[N@H+](C)C2CCCCC2)s1 ZINC000174792926 822837556 /nfs/dbraw/zinc/83/75/56/822837556.db2.gz KBRSLODIUCEHAI-MRXNPFEDSA-N 1 0 380.602 4.371 20 0 GIADRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)C3=CCCCCC3)CC2)c1C ZINC000185962222 822838084 /nfs/dbraw/zinc/83/80/84/822838084.db2.gz KWUJMECNYLLOAG-UHFFFAOYSA-N 1 0 385.552 4.020 20 0 GIADRO CN(Cc1c(F)cccc1Cl)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000053513488 822838130 /nfs/dbraw/zinc/83/81/30/822838130.db2.gz ZDYMAHSUSPHOAL-UHFFFAOYSA-N 1 0 389.902 4.285 20 0 GIADRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000053524240 822838804 /nfs/dbraw/zinc/83/88/04/822838804.db2.gz UGGWVLBEOLUUAQ-OAQYLSRUSA-N 1 0 398.551 4.104 20 0 GIADRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)Nc1ccc(N3CCc4sccc4C3)cc1)C2 ZINC000174800405 822838894 /nfs/dbraw/zinc/83/88/94/822838894.db2.gz TYLMVWCBLUYYBL-AZUAARDMSA-N 1 0 396.560 4.011 20 0 GIADRO COc1ccc([C@H](CNC(=O)N(C)Cc2ccsc2)[NH+]2CCCCC2)cc1 ZINC000053527629 822839081 /nfs/dbraw/zinc/83/90/81/822839081.db2.gz CZKSKKSLMUXCAB-FQEVSTJZSA-N 1 0 387.549 4.125 20 0 GIADRO C[C@@H](NC(=O)NC[C@H](c1cccs1)[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000053529331 822839211 /nfs/dbraw/zinc/83/92/11/822839211.db2.gz CPTAWLQRQPDCTP-IUODEOHRSA-N 1 0 385.455 4.430 20 0 GIADRO CN(Cc1c(F)cccc1Cl)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000053534864 822839421 /nfs/dbraw/zinc/83/94/21/822839421.db2.gz QJGLOLSGDOPQHA-QGZVFWFLSA-N 1 0 379.863 4.051 20 0 GIADRO CCOc1ccc(CN(C)C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000053548275 822840396 /nfs/dbraw/zinc/84/03/96/822840396.db2.gz HAZBTMSYGYFVBM-IBGZPJMESA-N 1 0 387.549 4.125 20 0 GIADRO COc1cc(Br)c(C[NH2+][C@H](C)c2cc(F)ccc2O)cc1OC ZINC000185985110 822841176 /nfs/dbraw/zinc/84/11/76/822841176.db2.gz ZOBSQGWVNAFWHI-SNVBAGLBSA-N 1 0 384.245 4.162 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)N(Cc1ccco1)Cc1cccs1)Cc1ccccc1 ZINC000053602788 822842268 /nfs/dbraw/zinc/84/22/68/822842268.db2.gz KCKUCXORKWMYSJ-IBGZPJMESA-N 1 0 397.544 4.226 20 0 GIADRO COC(=O)CC[C@@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)c1ccccc1 ZINC000185998839 822842446 /nfs/dbraw/zinc/84/24/46/822842446.db2.gz RFJONQYATVPXIK-SUMWQHHRSA-N 1 0 392.293 4.500 20 0 GIADRO NC(=O)c1ccc(-c2nc(C[N@@H+]3CCC[C@@H]3Cc3cccc(F)c3)cs2)cc1 ZINC000053610487 822842697 /nfs/dbraw/zinc/84/26/97/822842697.db2.gz CTIBUKHARDLDSC-HXUWFJFHSA-N 1 0 395.503 4.255 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1ncoc1-c1ccc(F)cc1 ZINC000186025366 822844925 /nfs/dbraw/zinc/84/49/25/822844925.db2.gz ZTSDYFQFDVDHQI-KRWDZBQOSA-N 1 0 393.462 4.217 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cccc(OCc3ccc(F)cc3)c2)CC[N@@H+]1C ZINC000174841622 822845010 /nfs/dbraw/zinc/84/50/10/822845010.db2.gz DDOKTTJWHHKJMK-UZLBHIALSA-N 1 0 385.483 4.351 20 0 GIADRO CN(CCC[NH+](C)C)C(=O)Nc1cc(Cl)ccc1SCC(F)(F)F ZINC000186030974 822845259 /nfs/dbraw/zinc/84/52/59/822845259.db2.gz QDQQFSVGXMSVFV-UHFFFAOYSA-N 1 0 383.867 4.410 20 0 GIADRO CC[C@@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1cccc(Cl)c1 ZINC000186031002 822845269 /nfs/dbraw/zinc/84/52/69/822845269.db2.gz DBIGHOXQBZDQHG-LJQANCHMSA-N 1 0 378.925 4.121 20 0 GIADRO CCCOc1cccc(NC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000174848689 822846059 /nfs/dbraw/zinc/84/60/59/822846059.db2.gz LBSTZGCTWPLZBY-HXUWFJFHSA-N 1 0 381.520 4.461 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1 ZINC000053720507 822846115 /nfs/dbraw/zinc/84/61/15/822846115.db2.gz IFJVVICHKOJONF-INIZCTEOSA-N 1 0 376.456 4.420 20 0 GIADRO COc1ccc([C@H](NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2)c2ccco2)cc1 ZINC000457014135 822846313 /nfs/dbraw/zinc/84/63/13/822846313.db2.gz WOLWVMCYCHQDEN-JTSKRJEESA-N 1 0 378.472 4.014 20 0 GIADRO O=S1(=O)CCCN1c1ccc(C[NH2+][C@@H](c2cccs2)C2CCCC2)cc1 ZINC000186042110 822846619 /nfs/dbraw/zinc/84/66/19/822846619.db2.gz VPRLKSTZRVWZBU-HXUWFJFHSA-N 1 0 390.574 4.309 20 0 GIADRO Cc1cn(-c2ccccc2)nc1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000186050148 822847341 /nfs/dbraw/zinc/84/73/41/822847341.db2.gz FKYKODIGIYDKCJ-UWJYYQICSA-N 1 0 394.544 4.055 20 0 GIADRO Cc1cn(-c2ccccc2)nc1C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000186050167 822847384 /nfs/dbraw/zinc/84/73/84/822847384.db2.gz FKYKODIGIYDKCJ-UTKZUKDTSA-N 1 0 394.544 4.055 20 0 GIADRO C[C@H](CSc1ccccc1)C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457062289 822848957 /nfs/dbraw/zinc/84/89/57/822848957.db2.gz AFSSDJCDOSZOHZ-OAHLLOKOSA-N 1 0 388.499 4.290 20 0 GIADRO CN(C(=O)c1ccc(SC2CC2)cc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457062448 822848977 /nfs/dbraw/zinc/84/89/77/822848977.db2.gz CVIGIERMBFBDMQ-UHFFFAOYSA-N 1 0 386.483 4.430 20 0 GIADRO CC(=O)Nc1cc(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)ccc1F ZINC000053811521 822849117 /nfs/dbraw/zinc/84/91/17/822849117.db2.gz JUBKLVNSAQLBML-INIZCTEOSA-N 1 0 397.494 4.089 20 0 GIADRO CN(C(=O)c1c[nH]cc1-c1ccccc1F)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457062690 822849137 /nfs/dbraw/zinc/84/91/37/822849137.db2.gz DNJLIZIUNXKONP-UHFFFAOYSA-N 1 0 397.416 4.310 20 0 GIADRO CN(C(=O)[C@H]1C[C@]12CCCc1ccccc12)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457063094 822849180 /nfs/dbraw/zinc/84/91/80/822849180.db2.gz AYMNVBFBAKONPN-CTNGQTDRSA-N 1 0 394.481 4.156 20 0 GIADRO CN(C(=O)Cc1ccc2ccccc2c1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457064133 822849329 /nfs/dbraw/zinc/84/93/29/822849329.db2.gz CEQVHQPCYXWSIX-UHFFFAOYSA-N 1 0 378.438 4.258 20 0 GIADRO CN(C(=O)C1(Cc2ccc(F)cc2)CC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457075072 822850379 /nfs/dbraw/zinc/85/03/79/822850379.db2.gz WAGYTQRNXQCPGP-UHFFFAOYSA-N 1 0 386.433 4.024 20 0 GIADRO CN(C(=O)c1scnc1C1CCCC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457076962 822850542 /nfs/dbraw/zinc/85/05/42/822850542.db2.gz ZAEUQBFSTOMCAA-UHFFFAOYSA-N 1 0 389.487 4.290 20 0 GIADRO CC1(C)CCC[N@@H+]1CCNC(=O)c1ccccc1SCc1cscn1 ZINC000457081295 822850983 /nfs/dbraw/zinc/85/09/83/822850983.db2.gz VFSFLMFXZKMYSH-UHFFFAOYSA-N 1 0 375.563 4.040 20 0 GIADRO C[C@@H](Cc1ccc(Cl)cc1)C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457083792 822851311 /nfs/dbraw/zinc/85/13/11/822851311.db2.gz KXZTYCLOMGNFTR-AWEZNQCLSA-N 1 0 390.877 4.394 20 0 GIADRO C[NH+](C)Cc1cccc(C(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)c1 ZINC000186100249 822851568 /nfs/dbraw/zinc/85/15/68/822851568.db2.gz CNKMFLDLDJEBJG-UHFFFAOYSA-N 1 0 390.871 4.312 20 0 GIADRO CC[C@@H](Oc1ccccc1C)C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457087077 822851784 /nfs/dbraw/zinc/85/17/84/822851784.db2.gz PSUDBQBEEMGOLA-QGZVFWFLSA-N 1 0 386.458 4.028 20 0 GIADRO Cc1ccnc(Oc2cc(NC(=O)N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C)ccc2C)c1 ZINC000174897343 822852371 /nfs/dbraw/zinc/85/23/71/822852371.db2.gz IMOPCIVBAJQZFL-MOPGFXCFSA-N 1 0 380.492 4.191 20 0 GIADRO Cc1cccc2c(CCC(=O)N(C)C3CC[NH+](CCC(F)(F)F)CC3)c[nH]c21 ZINC000457093609 822852854 /nfs/dbraw/zinc/85/28/54/822852854.db2.gz YHLHNNSVYDMPMF-UHFFFAOYSA-N 1 0 395.469 4.284 20 0 GIADRO CC(C)COc1ccc(C(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000457094084 822852871 /nfs/dbraw/zinc/85/28/71/822852871.db2.gz ZGTKTLWNDDZFSZ-UHFFFAOYSA-N 1 0 386.458 4.210 20 0 GIADRO C[C@H]1CCc2sc(C(=O)N(C)C3CC[NH+](CCC(F)(F)F)CC3)cc2C1 ZINC000457093644 822852905 /nfs/dbraw/zinc/85/29/05/822852905.db2.gz YKCFYAGDCTYYFT-ZDUSSCGKSA-N 1 0 388.499 4.362 20 0 GIADRO COc1ccsc1[C@H](C)[NH2+]Cc1ccc(OCCOc2ccccc2)nc1 ZINC000186116131 822853040 /nfs/dbraw/zinc/85/30/40/822853040.db2.gz UJKFRFQYRBCXIE-INIZCTEOSA-N 1 0 384.501 4.460 20 0 GIADRO Cc1cnc([C@@H](C)NC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)s1 ZINC000174909832 822854433 /nfs/dbraw/zinc/85/44/33/822854433.db2.gz ZYQNXBQSHHCPER-SUMDDJOVSA-N 1 0 386.565 4.207 20 0 GIADRO CO[C@@H](C)c1nc(C)c(C(=O)N[C@H](C[N@H+](C)Cc2ccccc2)C(C)C)s1 ZINC000186138830 822854849 /nfs/dbraw/zinc/85/48/49/822854849.db2.gz AEORCOYRTJFIKF-FUHWJXTLSA-N 1 0 389.565 4.045 20 0 GIADRO COc1ccc(S[C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000053968577 822855002 /nfs/dbraw/zinc/85/50/02/822855002.db2.gz PWBSGINFGDENAR-GOSISDBHSA-N 1 0 398.572 4.265 20 0 GIADRO COc1ccc2oc(C)c(C(=O)NC3CC[NH+](Cc4ccccc4C)CC3)c2c1 ZINC000053968570 822855063 /nfs/dbraw/zinc/85/50/63/822855063.db2.gz FKEQLIWGBNQMQB-UHFFFAOYSA-N 1 0 392.499 4.453 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(Br)cc1 ZINC000174915895 822855490 /nfs/dbraw/zinc/85/54/90/822855490.db2.gz LBFZMAJGEJHRTR-QGZVFWFLSA-N 1 0 387.321 4.043 20 0 GIADRO C[C@@H]([NH2+]CCc1nnc(-c2ccccc2)o1)c1ccc(Br)cc1O ZINC000186149256 822855906 /nfs/dbraw/zinc/85/59/06/822855906.db2.gz FJNWCTMPJGWDBN-GFCCVEGCSA-N 1 0 388.265 4.098 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1c[nH]cc1-c1ccc(F)cc1 ZINC000174923052 822856487 /nfs/dbraw/zinc/85/64/87/822856487.db2.gz VEJLVVYNIYLPNS-LJQANCHMSA-N 1 0 391.490 4.415 20 0 GIADRO Cc1ccc(-c2ocnc2C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000174923084 822856493 /nfs/dbraw/zinc/85/64/93/822856493.db2.gz RHGQQOMORCJJCJ-FQEVSTJZSA-N 1 0 389.499 4.244 20 0 GIADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@H](C)c1ncc(C)s1 ZINC000174925996 822856944 /nfs/dbraw/zinc/85/69/44/822856944.db2.gz FMLNTYCPCBCXLC-OAHLLOKOSA-N 1 0 380.583 4.128 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000174927622 822857210 /nfs/dbraw/zinc/85/72/10/822857210.db2.gz ZBHCTLWPVWLSIW-MRXNPFEDSA-N 1 0 394.412 4.439 20 0 GIADRO COc1cc(C[NH2+]CC2(CCO)CC2)ccc1OCc1ccc(Cl)cc1 ZINC000186175774 822858142 /nfs/dbraw/zinc/85/81/42/822858142.db2.gz GAFACBRKRKMPKD-UHFFFAOYSA-N 1 0 375.896 4.180 20 0 GIADRO C[N@H+](CCCCNC(=O)Cc1csc2ccc(Br)cc12)C1CC1 ZINC000457165701 822858472 /nfs/dbraw/zinc/85/84/72/822858472.db2.gz KNEWMHXBJDRUTI-UHFFFAOYSA-N 1 0 395.366 4.197 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1csc(-c2ccccc2)n1 ZINC000174945944 822859413 /nfs/dbraw/zinc/85/94/13/822859413.db2.gz PIUDVPMMOMDBFE-IBGZPJMESA-N 1 0 391.540 4.404 20 0 GIADRO C[C@@H](C(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1)n1cccn1 ZINC000457191861 822859672 /nfs/dbraw/zinc/85/96/72/822859672.db2.gz ASNVPTPGOAHUEE-REWPJTCUSA-N 1 0 394.563 4.128 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(Cl)cc2cccnc21 ZINC000174948172 822859720 /nfs/dbraw/zinc/85/97/20/822859720.db2.gz ZZDYPTKJOXDATB-GOSISDBHSA-N 1 0 393.918 4.482 20 0 GIADRO Cc1nc(CSc2ccccc2C(=O)NCCCC[N@@H+](C)C2CC2)cs1 ZINC000457196917 822860210 /nfs/dbraw/zinc/86/02/10/822860210.db2.gz HXXRLIGNPDQHFW-UHFFFAOYSA-N 1 0 389.590 4.348 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)/C=C/c1ccnc2ccccc12 ZINC000174951433 822860235 /nfs/dbraw/zinc/86/02/35/822860235.db2.gz DJGYKWZWQYGOFG-RJRNSMGGSA-N 1 0 385.511 4.229 20 0 GIADRO C[C@@H]1C[C@@H](C(=O)N2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)CO1 ZINC000457197213 822860336 /nfs/dbraw/zinc/86/03/36/822860336.db2.gz UHEXWJNEVAGAEN-UEVCKROQSA-N 1 0 384.564 4.095 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCC(=O)c1ccc(Cl)cc1 ZINC000174952197 822860289 /nfs/dbraw/zinc/86/02/89/822860289.db2.gz XEIHFBHVUACNIY-LJQANCHMSA-N 1 0 398.934 4.283 20 0 GIADRO C[N@H+](CCCCNC(=O)c1ccccc1SCc1cscn1)C1CC1 ZINC000457210436 822860826 /nfs/dbraw/zinc/86/08/26/822860826.db2.gz VPDXEJHFJLWNHF-UHFFFAOYSA-N 1 0 375.563 4.040 20 0 GIADRO COc1cc(NC(=O)NCCCC[NH+]2CCC(C)CC2)ccc1OC(C)C ZINC000186229905 822862831 /nfs/dbraw/zinc/86/28/31/822862831.db2.gz QVOSTIWTOYPWBT-UHFFFAOYSA-N 1 0 377.529 4.116 20 0 GIADRO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000186232883 822863211 /nfs/dbraw/zinc/86/32/11/822863211.db2.gz JVGPTPSKULMJBN-RDTXWAMCSA-N 1 0 379.909 4.006 20 0 GIADRO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000186248532 822864622 /nfs/dbraw/zinc/86/46/22/822864622.db2.gz VINRLQRPNZRRAA-MRXNPFEDSA-N 1 0 378.476 4.105 20 0 GIADRO Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000568964960 822865838 /nfs/dbraw/zinc/86/58/38/822865838.db2.gz AFVDPBFRPKZYIO-CYBMUJFWSA-N 1 0 396.318 4.419 20 0 GIADRO CC(C)C[C@@H](C)OCCC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000568969043 822866028 /nfs/dbraw/zinc/86/60/28/822866028.db2.gz XZGIIFDENQKGNV-OAQYLSRUSA-N 1 0 386.580 4.342 20 0 GIADRO Cc1ccccc1O[C@@H]1CCCC[C@H]1[NH2+]CCc1nc2ccccc2c(=O)[nH]1 ZINC000568967922 822866200 /nfs/dbraw/zinc/86/62/00/822866200.db2.gz MJJWHDQPNUTAAU-TZIWHRDSSA-N 1 0 377.488 4.166 20 0 GIADRO CC(=O)N(c1nc(CN[C@@H]2CCC[C@@H]([NH+](C)C)C2)cs1)c1ccc(C)cc1 ZINC000175010282 822866786 /nfs/dbraw/zinc/86/67/86/822866786.db2.gz KXPCUGHSKMSYPO-YLJYHZDGSA-N 1 0 386.565 4.099 20 0 GIADRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+][C@@H]3CCCN(C(C)C)C3=O)s2)cc1 ZINC000175011731 822867078 /nfs/dbraw/zinc/86/70/78/822867078.db2.gz ZXHGTRVQYLDZLE-KBXCAEBGSA-N 1 0 387.549 4.177 20 0 GIADRO COc1cccc([C@H](C)CC(=O)Nc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)c1 ZINC000186266866 822867172 /nfs/dbraw/zinc/86/71/72/822867172.db2.gz PGHKUJQTCLGIJM-QGZVFWFLSA-N 1 0 397.519 4.026 20 0 GIADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccc(-c3ccc(Br)s3)s2)C1 ZINC000568982468 822867439 /nfs/dbraw/zinc/86/74/39/822867439.db2.gz AGNSTTQRIICDJH-WDEREUQCSA-N 1 0 399.379 4.439 20 0 GIADRO Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)cc1NC(=O)CC[NH+](C)C ZINC000186269836 822867677 /nfs/dbraw/zinc/86/76/77/822867677.db2.gz RMUYSTNXOMCBOJ-ZWKOTPCHSA-N 1 0 399.922 4.281 20 0 GIADRO COc1cc(NC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)ccc1OC(C)C ZINC000186271545 822867940 /nfs/dbraw/zinc/86/79/40/822867940.db2.gz KCQMJGXNRPYPIK-UHFFFAOYSA-N 1 0 389.471 4.005 20 0 GIADRO COc1ccc([C@H](NC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C2CC2)cc1 ZINC000054218602 822868751 /nfs/dbraw/zinc/86/87/51/822868751.db2.gz HENFXPNXQMVDKF-PZJWPPBQSA-N 1 0 399.560 4.344 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cc(F)ccc2Br)C1 ZINC000054224927 822869565 /nfs/dbraw/zinc/86/95/65/822869565.db2.gz FAHUIXFXXWZRDY-CJNGLKHVSA-N 1 0 391.284 4.154 20 0 GIADRO COc1c2ccccc2oc1C[NH2+]Cc1cccc(I)c1 ZINC000569011533 822869590 /nfs/dbraw/zinc/86/95/90/822869590.db2.gz DVTHTEFLGGGYHK-UHFFFAOYSA-N 1 0 393.224 4.336 20 0 GIADRO c1c(C[NH2+]CCC[C@@H]2CCCCO2)c(-c2cccnc2)nn1-c1ccccc1 ZINC000186282980 822870162 /nfs/dbraw/zinc/87/01/62/822870162.db2.gz LUSUCOUEVMVQMM-QFIPXVFZSA-N 1 0 376.504 4.373 20 0 GIADRO CCN1CCC([NH+]2CCC(C(=O)N[C@@H](CCC(C)C)C(C)(C)C)CC2)CC1 ZINC000569017938 822870269 /nfs/dbraw/zinc/87/02/69/822870269.db2.gz YLOANGOGKQIVFM-NRFANRHFSA-N 1 0 379.633 4.150 20 0 GIADRO COc1ccc(OCc2nc(C[NH2+]CCC[C@H]3CCCCO3)cs2)cc1 ZINC000186284280 822870349 /nfs/dbraw/zinc/87/03/49/822870349.db2.gz CFGXAZWTTXJERE-GOSISDBHSA-N 1 0 376.522 4.170 20 0 GIADRO COc1ccccc1[C@H]1[C@@H]([NH3+])CCCN1C(=O)[C@@H](C)CCCc1ccccc1 ZINC000457362116 822870382 /nfs/dbraw/zinc/87/03/82/822870382.db2.gz MFAIXPYYQKQXIK-HARLFGEKSA-N 1 0 380.532 4.345 20 0 GIADRO C[C@H]1CCN(C(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)[C@@H](C)[C@H]1[NH3+] ZINC000457363091 822870466 /nfs/dbraw/zinc/87/04/66/822870466.db2.gz OHEAIOZBNGMMHZ-QYWGDWMGSA-N 1 0 375.472 4.206 20 0 GIADRO COc1cc2c(cc1OC)[C@H]([NH2+]CCc1cnc(SC3CCCC3)nc1)CC2 ZINC000569024695 822870604 /nfs/dbraw/zinc/87/06/04/822870604.db2.gz MUAHERRSPQTHPP-LJQANCHMSA-N 1 0 399.560 4.348 20 0 GIADRO COc1ccccc1[C@H]1[C@@H]([NH3+])CCCN1C(=O)[C@H](C)c1ccc(Cl)s1 ZINC000457363886 822870653 /nfs/dbraw/zinc/87/06/53/822870653.db2.gz QCGWFUDITXMZTN-IAISJRAMSA-N 1 0 378.925 4.205 20 0 GIADRO Cc1cccc(OCCCCC(=O)N2CC[C@H](c3ccc(F)cc3)[C@H]([NH3+])C2)c1 ZINC000457374516 822871343 /nfs/dbraw/zinc/87/13/43/822871343.db2.gz WTKRBBYMDMHULX-FGZHOGPDSA-N 1 0 384.495 4.027 20 0 GIADRO Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]Cc1cccc(N2CCCS2(=O)=O)c1 ZINC000186289077 822871518 /nfs/dbraw/zinc/87/15/18/822871518.db2.gz VTRMNISXWQSBPD-NRFANRHFSA-N 1 0 384.545 4.011 20 0 GIADRO COc1ccc([C@@H]2CCN(C(=O)CC[C@H](C)c3ccccc3)C[C@@H]2[NH3+])cc1F ZINC000457377162 822871526 /nfs/dbraw/zinc/87/15/26/822871526.db2.gz MOHQVRBPKFLQGC-LRQRDZAKSA-N 1 0 384.495 4.061 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCC[C@H](SC)C1 ZINC000175036893 822871804 /nfs/dbraw/zinc/87/18/04/822871804.db2.gz BWWUYUXCTOQMOG-NJYVYQBISA-N 1 0 389.609 4.214 20 0 GIADRO [NH3+][C@H]1CN(C(=O)CC2CCC(C(F)(F)F)CC2)CC[C@@H]1c1ccc(F)cc1 ZINC000457383660 822871866 /nfs/dbraw/zinc/87/18/66/822871866.db2.gz QYZIUHFGSFPQBA-OWDOZIACSA-N 1 0 386.433 4.228 20 0 GIADRO COc1ccc([C@H]2CCN(C(=O)c3csc4ccccc43)C[C@H]2[NH3+])cc1F ZINC000457389970 822872422 /nfs/dbraw/zinc/87/24/22/822872422.db2.gz WGZMWMFEJQXFLB-RDTXWAMCSA-N 1 0 384.476 4.006 20 0 GIADRO CC(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1 ZINC000569041307 822872558 /nfs/dbraw/zinc/87/25/58/822872558.db2.gz RFMZAYPNEJHYLN-VQTJNVASSA-N 1 0 383.536 4.360 20 0 GIADRO CCN(C(=O)c1csc(-c2ccoc2)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186299713 822872992 /nfs/dbraw/zinc/87/29/92/822872992.db2.gz XXKIHCQWFFEYJI-GOSISDBHSA-N 1 0 381.501 4.140 20 0 GIADRO Cc1noc(C)c1COc1ccccc1C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000054287717 822873377 /nfs/dbraw/zinc/87/33/77/822873377.db2.gz HGEDBZPLHWNCGK-INIZCTEOSA-N 1 0 399.535 4.111 20 0 GIADRO Cc1nc([C@H]2CCCN2C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cs1 ZINC000186310452 822874451 /nfs/dbraw/zinc/87/44/51/822874451.db2.gz HERWPDTTYFCGDD-JTDSTZFVSA-N 1 0 378.586 4.056 20 0 GIADRO CCN(C(=O)Cc1csc(-c2ccoc2)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186313621 822874914 /nfs/dbraw/zinc/87/49/14/822874914.db2.gz LERSNKPJYBTMFM-FQEVSTJZSA-N 1 0 395.528 4.069 20 0 GIADRO CCN(C(=O)c1cc(C2CC2)n(C(C)(C)C)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186316039 822875207 /nfs/dbraw/zinc/87/52/07/822875207.db2.gz PQQKWVVBWYWBRP-HXUWFJFHSA-N 1 0 394.563 4.252 20 0 GIADRO C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@H]1CCCc2c1cnn2-c1ncccn1 ZINC000569061567 822875473 /nfs/dbraw/zinc/87/54/73/822875473.db2.gz NNIJZUPPELIBAX-XLIONFOSSA-N 1 0 375.520 4.386 20 0 GIADRO COc1ccc([C@H](NC(=O)NC[C@H](c2cccs2)[NH+](C)C)c2ccco2)cc1 ZINC000457444237 822875568 /nfs/dbraw/zinc/87/55/68/822875568.db2.gz FLTLAVJHWQVMJL-XLIONFOSSA-N 1 0 399.516 4.041 20 0 GIADRO Cc1cccc([C@H]2CCCN2C(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)n1 ZINC000186325459 822876390 /nfs/dbraw/zinc/87/63/90/822876390.db2.gz SOUFFUYFEGDDLF-PKTZIBPZSA-N 1 0 392.547 4.147 20 0 GIADRO Cc1noc([C@@H]2CCC[N@H+](CCCCOc3cccc(C(F)(F)F)c3)C2)n1 ZINC000054341109 822877024 /nfs/dbraw/zinc/87/70/24/822877024.db2.gz MTXHUALNKQUEMR-OAHLLOKOSA-N 1 0 383.414 4.435 20 0 GIADRO CN(Cc1c(F)cccc1F)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000457460318 822877069 /nfs/dbraw/zinc/87/70/69/822877069.db2.gz QPKLRQSQNPIRHZ-KRWDZBQOSA-N 1 0 379.476 4.005 20 0 GIADRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)N1CCC(OC2CCCC2)CC1)C1CC1 ZINC000186331986 822877261 /nfs/dbraw/zinc/87/72/61/822877261.db2.gz RNUFNOANAVCYCJ-HSZRJFAPSA-N 1 0 399.579 4.030 20 0 GIADRO CC[C@@H](c1ccncc1)N(C)C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000186332691 822877518 /nfs/dbraw/zinc/87/75/18/822877518.db2.gz ODMBHBUMMYQZCL-VXKWHMMOSA-N 1 0 380.536 4.085 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)N[C@H](c1nc(C)cs1)C1CC1)c1ccsc1 ZINC000175074426 822877822 /nfs/dbraw/zinc/87/78/22/822877822.db2.gz MRKZLMPRCOJAOQ-SJORKVTESA-N 1 0 392.594 4.346 20 0 GIADRO Cc1ccccc1Oc1ccc(C(=O)N2CCC([NH+]3CCCCC3)CC2)nc1 ZINC000457471765 822878381 /nfs/dbraw/zinc/87/83/81/822878381.db2.gz GFOFIJCFTQXROG-UHFFFAOYSA-N 1 0 379.504 4.273 20 0 GIADRO CC(C)C[C@H](CNC(=O)c1coc(C2CCOCC2)n1)[NH2+][C@@H](C)c1ccccc1 ZINC000569083530 822878499 /nfs/dbraw/zinc/87/84/99/822878499.db2.gz WELVHMWOPXFWLZ-FXAWDEMLSA-N 1 0 399.535 4.064 20 0 GIADRO CC(C)Sc1ccc([C@@H](C)NC(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)cc1 ZINC000569091349 822879228 /nfs/dbraw/zinc/87/92/28/822879228.db2.gz HCSLAYYIIFGYDD-RHSMWYFYSA-N 1 0 384.549 4.281 20 0 GIADRO CCO[C@@H]1C[C@H](Nc2cc[nH+]c3cc(C(F)(F)F)ccc23)[C@H]1n1cccn1 ZINC000569091183 822879269 /nfs/dbraw/zinc/87/92/69/822879269.db2.gz QLPWUANGTUIJHF-RCCFBDPRSA-N 1 0 376.382 4.281 20 0 GIADRO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)Nc1ccc2c(c1)OCO2 ZINC000054373709 822879378 /nfs/dbraw/zinc/87/93/78/822879378.db2.gz LGOXJAKLJKZNCO-KRWDZBQOSA-N 1 0 387.867 4.027 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)N[C@@H](c1ccccc1)c1ccccn1 ZINC000457482678 822879978 /nfs/dbraw/zinc/87/99/78/822879978.db2.gz LGFQSHYNIOLYHF-NRFANRHFSA-N 1 0 394.544 4.006 20 0 GIADRO Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]C2CCC(O)(c3cccnc3)CC2)c1 ZINC000186352806 822880392 /nfs/dbraw/zinc/88/03/92/822880392.db2.gz JVSGFNYRMDOBAX-FPPRHVDESA-N 1 0 376.447 4.472 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)c(CC(=O)N2CCc3ccccc3[C@H]2C[NH3+])s1 ZINC000569105843 822880399 /nfs/dbraw/zinc/88/03/99/822880399.db2.gz AEMTYQVNOSZJSV-HXUWFJFHSA-N 1 0 391.540 4.054 20 0 GIADRO C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000186352656 822880461 /nfs/dbraw/zinc/88/04/61/822880461.db2.gz OLCNNYMCTPJIQQ-IDMYKUQPSA-N 1 0 390.474 4.424 20 0 GIADRO C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000457489380 822880918 /nfs/dbraw/zinc/88/09/18/822880918.db2.gz LFQKVSVVSZSIQY-ILXRZTDVSA-N 1 0 389.487 4.257 20 0 GIADRO Cc1ccc(-c2cc(C(=O)NC(C)(C)CCC[NH3+])c3cnn(C(C)C)c3n2)cc1 ZINC000569124554 822881631 /nfs/dbraw/zinc/88/16/31/822881631.db2.gz VKUXKVOTBLPJBW-UHFFFAOYSA-N 1 0 393.535 4.235 20 0 GIADRO COC(=O)N1CCC([C@H](C)[NH2+]Cc2ccc(Oc3cccnc3)c(C)c2)CC1 ZINC000186359697 822881802 /nfs/dbraw/zinc/88/18/02/822881802.db2.gz LHJCKCHZERLLSR-KRWDZBQOSA-N 1 0 383.492 4.139 20 0 GIADRO COc1ccc([C@@H]([NH2+][C@@H](C)CCC2CC2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000186365167 822882370 /nfs/dbraw/zinc/88/23/70/822882370.db2.gz SJRBEMNUMZEFBJ-KSFYIVLOSA-N 1 0 387.545 4.356 20 0 GIADRO Cc1cc(Br)c(C(=O)Nc2cccc(OCC[NH+](C)C)c2)s1 ZINC000457504974 822882996 /nfs/dbraw/zinc/88/29/96/822882996.db2.gz MWWRGBYTUJBVTP-UHFFFAOYSA-N 1 0 383.311 4.012 20 0 GIADRO CC1CCN(c2ccc(C[NH2+]Cc3ccc4c(c3)COC(C)(C)O4)cn2)CC1 ZINC000186366834 822882966 /nfs/dbraw/zinc/88/29/66/822882966.db2.gz HPJPDTNVVXRMKP-UHFFFAOYSA-N 1 0 381.520 4.253 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc2c(c1)COC(C)(C)O2)c1cccc(N2CCOC2=O)c1 ZINC000186371154 822883291 /nfs/dbraw/zinc/88/32/91/822883291.db2.gz TWJOSPUPRIANHT-OAHLLOKOSA-N 1 0 382.460 4.139 20 0 GIADRO Cc1cc(OCc2ccccc2)c(C(=O)N2CCC([NH+]3CCCC3)CC2)s1 ZINC000457507864 822883417 /nfs/dbraw/zinc/88/34/17/822883417.db2.gz KGRXJMOXXWZNFO-UHFFFAOYSA-N 1 0 384.545 4.336 20 0 GIADRO C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CC1(CCOCc2ccccc2)CC1 ZINC000186371650 822883730 /nfs/dbraw/zinc/88/37/30/822883730.db2.gz WSAKPLMKUNGYDA-URXFXBBRSA-N 1 0 393.575 4.269 20 0 GIADRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000186375136 822884221 /nfs/dbraw/zinc/88/42/21/822884221.db2.gz KIUZHIFZCNSKTR-CVEARBPZSA-N 1 0 392.849 4.481 20 0 GIADRO CCc1noc(-c2ccc(CC[NH2+]Cc3ccc4c(c3)COC(C)(C)O4)cc2)n1 ZINC000186382225 822885490 /nfs/dbraw/zinc/88/54/90/822885490.db2.gz DDJKFROFTUEUKO-UHFFFAOYSA-N 1 0 393.487 4.276 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N1CCC[C@]2(CCSC2)C1 ZINC000457525697 822885816 /nfs/dbraw/zinc/88/58/16/822885816.db2.gz JWBIHNVMSGXOHX-QFIPXVFZSA-N 1 0 387.593 4.101 20 0 GIADRO CC1(C)[C@@H]([NH2+]C2CCN(CCC(F)(F)F)CC2)C[C@@H]1OCc1ccccc1 ZINC000186398021 822887995 /nfs/dbraw/zinc/88/79/95/822887995.db2.gz LHAUTFYBWJBQMJ-OALUTQOASA-N 1 0 384.486 4.377 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)cc1 ZINC000457542174 822888063 /nfs/dbraw/zinc/88/80/63/822888063.db2.gz XWNQBKGSQMAJEK-OAQYLSRUSA-N 1 0 391.519 4.061 20 0 GIADRO C[C@H](C[NH2+]Cc1ccc2c(c1)COC(C)(C)O2)c1nc(-c2ccccc2)no1 ZINC000186403165 822888781 /nfs/dbraw/zinc/88/87/81/822888781.db2.gz KCVHSYVNAYXYFO-OAHLLOKOSA-N 1 0 379.460 4.275 20 0 GIADRO Cc1ccc(Oc2ccc(NC(=O)N(C)[C@H]3CC[N@H+](C)[C@H](C)C3)cn2)cc1C ZINC000175133754 822889207 /nfs/dbraw/zinc/88/92/07/822889207.db2.gz KEZPVDGQNMGCTA-MJGOQNOKSA-N 1 0 382.508 4.437 20 0 GIADRO Cc1cccc(Br)c1C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000569178937 822889302 /nfs/dbraw/zinc/88/93/02/822889302.db2.gz OJDXVSUOVNDDDC-OKILXGFUSA-N 1 0 381.358 4.244 20 0 GIADRO CC[C@@]1(C)Oc2ccc(NC(=O)N3CCN(C)C[C@H]3c3ccccc3)cc2O1 ZINC000569185392 822890055 /nfs/dbraw/zinc/89/00/55/822890055.db2.gz ACDULQHBPKETMP-AVRDEDQJSA-N 1 0 381.476 4.105 20 0 GIADRO CCOC(=O)N1CCC([C@H](C)[NH2+]Cc2cc3ccccc3nc2Cl)CC1 ZINC000186411573 822890252 /nfs/dbraw/zinc/89/02/52/822890252.db2.gz RAUFJRZZKAYUIH-AWEZNQCLSA-N 1 0 375.900 4.235 20 0 GIADRO C[C@@H](NC(=O)N1CC[C@H]([NH+]2CCCC2)C1)c1cccc(OCc2ccccc2)c1 ZINC000569188510 822890728 /nfs/dbraw/zinc/89/07/28/822890728.db2.gz DEMWSPBVSJLPDC-KNQAVFIVSA-N 1 0 393.531 4.206 20 0 GIADRO CC(C)(C)OCc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)no1 ZINC000186418704 822891348 /nfs/dbraw/zinc/89/13/48/822891348.db2.gz BKAFFTLHPFSXJK-ZXFUBFMLSA-N 1 0 393.528 4.010 20 0 GIADRO O=C(Nc1ccccc1OCC(F)(F)F)NC1CC[NH+](C2CCCC2)CC1 ZINC000175147581 822891849 /nfs/dbraw/zinc/89/18/49/822891849.db2.gz XUPDWGFMHTXMAB-UHFFFAOYSA-N 1 0 385.430 4.156 20 0 GIADRO Cc1ccccc1[C@H]([C@H](C)NC(=O)Nc1ccc([C@@H]2CCOC2)cc1)[NH+](C)C ZINC000569201072 822892138 /nfs/dbraw/zinc/89/21/38/822892138.db2.gz AHNDHNHTEBVFKS-KPLVRAHFSA-N 1 0 381.520 4.312 20 0 GIADRO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)N[C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000569199873 822892232 /nfs/dbraw/zinc/89/22/32/822892232.db2.gz MSBYBWFNQVIFCB-NZSAHSFTSA-N 1 0 391.581 4.065 20 0 GIADRO CN(C)C(=O)c1ccccc1C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000569203052 822892457 /nfs/dbraw/zinc/89/24/57/822892457.db2.gz IKQQIUSBHJKOFL-QGZVFWFLSA-N 1 0 379.529 4.378 20 0 GIADRO O=C(c1cc(F)ccc1F)C1CC[NH+](Cc2c(O)ccc3ccncc32)CC1 ZINC000054518576 822892675 /nfs/dbraw/zinc/89/26/75/822892675.db2.gz VDHIKMRKYNWBJM-UHFFFAOYSA-N 1 0 382.410 4.314 20 0 GIADRO Cc1nc([C@H]2CCCN2C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000186429525 822893617 /nfs/dbraw/zinc/89/36/17/822893617.db2.gz FMZLQYKJOWNIRS-OAQYLSRUSA-N 1 0 398.576 4.210 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(Oc3cccc(Cl)c3)cn2)[C@@H](C)C1 ZINC000457583436 822894372 /nfs/dbraw/zinc/89/43/72/822894372.db2.gz AECNJQZXIJJJAJ-YWZLYKJASA-N 1 0 387.911 4.330 20 0 GIADRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)[C@H]1CCCC[C@@H]1C ZINC000569232547 822895198 /nfs/dbraw/zinc/89/51/98/822895198.db2.gz FXOHDLNAUNNMQT-WMQCIHAUSA-N 1 0 380.536 4.403 20 0 GIADRO CO[C@H](C)c1nc(C)c(C(=O)OC[C@H]2CCC[N@H+](Cc3ccccc3)C2)s1 ZINC000175161157 822895434 /nfs/dbraw/zinc/89/54/34/822895434.db2.gz IQNRSIYLSUUUGO-AEFFLSMTSA-N 1 0 388.533 4.228 20 0 GIADRO Cc1ccccc1Oc1ccc(C(=O)N(CC(C)C)C2CC[NH+](C)CC2)nc1 ZINC000457594382 822896021 /nfs/dbraw/zinc/89/60/21/822896021.db2.gz ZLYIKRUFHDGQAE-UHFFFAOYSA-N 1 0 381.520 4.375 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)[C@]2(C)CCCCO2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000457609177 822897059 /nfs/dbraw/zinc/89/70/59/822897059.db2.gz XUGLLLXHHQKWMW-KPFFTGBYSA-N 1 0 398.469 4.164 20 0 GIADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2ccc(Oc3cccc(Cl)c3)cn2)C1 ZINC000457613572 822897288 /nfs/dbraw/zinc/89/72/88/822897288.db2.gz MXAKDBHHQAOOFM-KRWDZBQOSA-N 1 0 399.922 4.331 20 0 GIADRO CCCOc1c(Br)cc(C[N@H+](C)[C@@H]2CCN(C)C[C@H]2C)cc1OC ZINC000569255099 822897362 /nfs/dbraw/zinc/89/73/62/822897362.db2.gz UNIDYKQUIPMGTB-RHSMWYFYSA-N 1 0 399.373 4.019 20 0 GIADRO CC[C@@H](c1ccc(Br)cc1)[NH+]1CCC([C@H]2NC(=O)C2(C)C)CC1 ZINC000569255619 822897583 /nfs/dbraw/zinc/89/75/83/822897583.db2.gz BCKVJHMNVNAFCT-DLBZAZTESA-N 1 0 379.342 4.137 20 0 GIADRO C[NH+](C)CCCCC(=O)N1CCCCC[C@H]1c1noc(-c2ccc(F)cc2)n1 ZINC000569256218 822897625 /nfs/dbraw/zinc/89/76/25/822897625.db2.gz WDCCDHGWBCKBNA-SFHVURJKSA-N 1 0 388.487 4.051 20 0 GIADRO CCC(CC)[C@H](CNC(=O)N[C@@H]1CCO[C@@H](c2cccs2)C1)[NH+]1CCCC1 ZINC000457620788 822898008 /nfs/dbraw/zinc/89/80/08/822898008.db2.gz QANZFCCQAIGKMD-CEXWTWQISA-N 1 0 393.597 4.168 20 0 GIADRO Cc1ccc(C[NH+]2CCCC2)cc1NS(=O)(=O)C1=Cc2ccccc2OCC1 ZINC000186454685 822898289 /nfs/dbraw/zinc/89/82/89/822898289.db2.gz ZZXRUWOGZIGABD-UHFFFAOYSA-N 1 0 398.528 4.156 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O)c1ccc(Cl)nc1 ZINC000186459436 822899069 /nfs/dbraw/zinc/89/90/69/822899069.db2.gz BHHBUCFACRGVGV-BXUZGUMPSA-N 1 0 383.801 4.210 20 0 GIADRO Cn1cccc1[C@@H]1CCCCN1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000175182631 822899484 /nfs/dbraw/zinc/89/94/84/822899484.db2.gz CZBQDZBVRCVNSK-OALUTQOASA-N 1 0 386.565 4.160 20 0 GIADRO Cn1c(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)nnc1-c1ccc(Cl)cc1 ZINC000186465139 822899822 /nfs/dbraw/zinc/89/98/22/822899822.db2.gz QWGPDQGUQNTERR-OXJNMPFZSA-N 1 0 396.922 4.393 20 0 GIADRO COc1ccc(C[N@H+](Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)cc1OC(F)F ZINC000569277173 822900248 /nfs/dbraw/zinc/90/02/48/822900248.db2.gz ZBDNLQBYCYZREP-JKSUJKDBSA-N 1 0 395.471 4.297 20 0 GIADRO CN(c1ccc(NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)cc1F)C1CCCCC1 ZINC000175188776 822900640 /nfs/dbraw/zinc/90/06/40/822900640.db2.gz IYZNLFYWIHPEMO-LJQANCHMSA-N 1 0 386.515 4.073 20 0 GIADRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccsc1)c1ccccc1OC(F)F ZINC000457650469 822901251 /nfs/dbraw/zinc/90/12/51/822901251.db2.gz FGSXKNUFJCJPQN-AWEZNQCLSA-N 1 0 397.491 4.184 20 0 GIADRO CC[NH+](CC)CCOc1ccc(-c2noc([C@H]3C[C@@H](C(C)=O)C3(C)C)n2)cc1 ZINC000569289140 822902138 /nfs/dbraw/zinc/90/21/38/822902138.db2.gz LCNXRRGENPMPRQ-RBUKOAKNSA-N 1 0 385.508 4.176 20 0 GIADRO CC1CC[NH+](Cc2ccc(CNC(=O)c3occc3Br)cc2)CC1 ZINC000175199083 822902569 /nfs/dbraw/zinc/90/25/69/822902569.db2.gz DZCZZDSPOVYQQH-UHFFFAOYSA-N 1 0 391.309 4.204 20 0 GIADRO C[C@H](C[NH2+][C@@H](CO)Cc1c[nH]c2ccccc12)c1ccc(C(F)(F)F)cc1 ZINC000569291206 822902664 /nfs/dbraw/zinc/90/26/64/822902664.db2.gz WPFWMFIUHDNPIO-RDTXWAMCSA-N 1 0 376.422 4.483 20 0 GIADRO COc1ccc(C[N@@H+]2CCSC3(CCOCC3)C2)cc1OCc1ccccc1 ZINC000186484599 822902993 /nfs/dbraw/zinc/90/29/93/822902993.db2.gz QYSIRIFQNMTHSU-UHFFFAOYSA-N 1 0 399.556 4.372 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CCc2nn(C)c3ccccc23)cc1Br ZINC000186487015 822903445 /nfs/dbraw/zinc/90/34/45/822903445.db2.gz OTXLFYGRSAIVCT-ZDUSSCGKSA-N 1 0 388.309 4.238 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)N[C@H](C)c2nc3c(s2)CCC3)c1 ZINC000457666451 822903764 /nfs/dbraw/zinc/90/37/64/822903764.db2.gz LEFGXBVWGHSORE-OAHLLOKOSA-N 1 0 386.565 4.034 20 0 GIADRO CSc1cccc(N(C(=O)Cc2cc(F)ccc2F)C2CC[NH+](C)CC2)c1 ZINC000175206075 822904143 /nfs/dbraw/zinc/90/41/43/822904143.db2.gz MIIXCWJCXOOSSQ-UHFFFAOYSA-N 1 0 390.499 4.357 20 0 GIADRO C[C@H](CC(F)(F)F)C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000457675535 822905067 /nfs/dbraw/zinc/90/50/67/822905067.db2.gz ASKRLKPTFWESRH-GMXABZIVSA-N 1 0 380.813 4.177 20 0 GIADRO C[N@@H+]1CC[C@H](CNC(=O)c2[nH]ccc2C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000457676308 822905330 /nfs/dbraw/zinc/90/53/30/822905330.db2.gz BQPXBJLFQUEYGV-AUUYWEPGSA-N 1 0 375.875 4.107 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC3(Cc4ccccc4)CCOCC3)ccc21 ZINC000569312215 822905941 /nfs/dbraw/zinc/90/59/41/822905941.db2.gz GFYFYTVFHHQTNT-JOCHJYFZSA-N 1 0 393.531 4.149 20 0 GIADRO O=C(c1ccc(Oc2cccc(F)c2)cn1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000457688409 822906913 /nfs/dbraw/zinc/90/69/13/822906913.db2.gz VHKWOWXEOLWXRP-ZHRRBRCNSA-N 1 0 395.478 4.102 20 0 GIADRO Cc1cc(C)n(-c2cccc(NC(=O)NC3CC[NH+](C4CCCC4)CC3)c2)n1 ZINC000175217054 822906932 /nfs/dbraw/zinc/90/69/32/822906932.db2.gz WESQUAWRGYKECV-UHFFFAOYSA-N 1 0 381.524 4.018 20 0 GIADRO Cc1cccc(Oc2ccc(C(=O)N3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)nc2)c1 ZINC000457689707 822907286 /nfs/dbraw/zinc/90/72/86/822907286.db2.gz WJUHMUZOUBCMJF-WZONZLPQSA-N 1 0 391.515 4.271 20 0 GIADRO CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000054719152 822907312 /nfs/dbraw/zinc/90/73/12/822907312.db2.gz XCOWEPMGZKNGCJ-GHTZIAJQSA-N 1 0 381.520 4.062 20 0 GIADRO C[C@@H](C[NH2+]CC1(N2CCCCC2)CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000569327004 822908066 /nfs/dbraw/zinc/90/80/66/822908066.db2.gz GACURPNLHJEMOJ-KRWDZBQOSA-N 1 0 384.486 4.434 20 0 GIADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)c2ccccc21 ZINC000569330609 822908693 /nfs/dbraw/zinc/90/86/93/822908693.db2.gz RKUNPCWLIFLCJU-PKTZIBPZSA-N 1 0 389.499 4.203 20 0 GIADRO CC(C)[N@@H+](Cc1ccc(NC(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)cc1)C[C@H]1CCCCO1 ZINC000457709718 822909567 /nfs/dbraw/zinc/90/95/67/822909567.db2.gz ODKVRFGPKQSFNJ-BDKRGJGYSA-N 1 0 398.547 4.020 20 0 GIADRO O=C(NCCc1cccnc1)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000569359841 822911174 /nfs/dbraw/zinc/91/11/74/822911174.db2.gz UHYCLNISMRCBOS-UHFFFAOYSA-N 1 0 384.549 4.024 20 0 GIADRO COc1ccc([C@H](CN(C)C)[NH2+][C@H](C)CC(=O)Nc2ccccc2C(C)C)cc1 ZINC000569364442 822911624 /nfs/dbraw/zinc/91/16/24/822911624.db2.gz RHUWLCCDMROPIJ-JPYJTQIMSA-N 1 0 397.563 4.428 20 0 GIADRO COCCC[C@@H]([NH2+][C@H](CCO)c1ccco1)c1ccc(Br)cc1 ZINC000186551976 822911796 /nfs/dbraw/zinc/91/17/96/822911796.db2.gz OAPKXEDGFQUXJA-IAGOWNOFSA-N 1 0 382.298 4.223 20 0 GIADRO C[C@H]1CCC[N@H+](CCCCNC(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)C1 ZINC000457730683 822911891 /nfs/dbraw/zinc/91/18/91/822911891.db2.gz IKCVOVBGNROIBK-RXVVDRJESA-N 1 0 397.567 4.312 20 0 GIADRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)c1ccc(Br)cc1C)c1ccco1 ZINC000569378901 822913362 /nfs/dbraw/zinc/91/33/62/822913362.db2.gz GPUUIUFUHYYPOS-CJNGLKHVSA-N 1 0 379.298 4.210 20 0 GIADRO Cc1[nH]c(=S)sc1CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000054794188 822913424 /nfs/dbraw/zinc/91/34/24/822913424.db2.gz WKDUEJWQYHHQOX-ZDUSSCGKSA-N 1 0 375.563 4.153 20 0 GIADRO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)C1 ZINC000054806011 822914231 /nfs/dbraw/zinc/91/42/31/822914231.db2.gz FPXNQVXGHMNJQG-MRXNPFEDSA-N 1 0 378.476 4.348 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)N2CCCC[C@H]2c2cccn2C)CC1 ZINC000175250057 822914256 /nfs/dbraw/zinc/91/42/56/822914256.db2.gz RKKUEASHDPXDLR-QHCPKHFHSA-N 1 0 394.563 4.235 20 0 GIADRO COc1ccc([C@@H](NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)c2ccco2)cc1 ZINC000457752319 822914804 /nfs/dbraw/zinc/91/48/04/822914804.db2.gz XCPZTNMDMSDOGV-XMSQKQJNSA-N 1 0 399.535 4.331 20 0 GIADRO CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000186573280 822915523 /nfs/dbraw/zinc/91/55/23/822915523.db2.gz MXGGJUPPGUSCBF-FQEVSTJZSA-N 1 0 385.518 4.149 20 0 GIADRO O=C(Cc1ccccc1OC1CCCC1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000457761339 822915967 /nfs/dbraw/zinc/91/59/67/822915967.db2.gz IXNYUPSQBUTMED-NRFANRHFSA-N 1 0 392.543 4.189 20 0 GIADRO FC(F)(F)COc1ccc(C[NH2+]Cc2cncc(Br)c2)cc1 ZINC000186582374 822917339 /nfs/dbraw/zinc/91/73/39/822917339.db2.gz MIVNURBNLGTWNR-UHFFFAOYSA-N 1 0 375.188 4.075 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(F)c3ccccc32)cc1 ZINC000569406046 822917822 /nfs/dbraw/zinc/91/78/22/822917822.db2.gz BNEZHAQTTSDQHP-AWEZNQCLSA-N 1 0 379.435 4.227 20 0 GIADRO Cc1nc(-c2ccc([C@H](C)NC(=O)N3CC[N@@H+](C4CC4)C[C@@H](C)C3)cc2)cs1 ZINC000457775645 822918015 /nfs/dbraw/zinc/91/80/15/822918015.db2.gz NYECYFMQWDADFP-CVEARBPZSA-N 1 0 398.576 4.305 20 0 GIADRO Cc1cc(C[NH2+]Cc2ccc(-c3ccncc3)cc2F)cc(N2CCCC2)n1 ZINC000569413825 822919317 /nfs/dbraw/zinc/91/93/17/822919317.db2.gz YBXWMHBJTSHIHB-UHFFFAOYSA-N 1 0 376.479 4.481 20 0 GIADRO COc1cc(C[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)ccc1SC ZINC000186594247 822920157 /nfs/dbraw/zinc/92/01/57/822920157.db2.gz NJHOZFVBZGPNLF-UHFFFAOYSA-N 1 0 375.509 4.126 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCC(=O)c1ccc(C)s1 ZINC000175269535 822920360 /nfs/dbraw/zinc/92/03/60/822920360.db2.gz VCNOJZORRNKERX-FQEVSTJZSA-N 1 0 398.572 4.390 20 0 GIADRO COc1ccccc1-c1nc(C2CC[NH+](CC3(OC)CCCCC3)CC2)no1 ZINC000569422075 822920723 /nfs/dbraw/zinc/92/07/23/822920723.db2.gz BPQKWMYUIILQFH-UHFFFAOYSA-N 1 0 385.508 4.274 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc2nc(C)ccc2o1 ZINC000175271772 822920985 /nfs/dbraw/zinc/92/09/85/822920985.db2.gz CFWRZUIPKONTBH-LJQANCHMSA-N 1 0 377.488 4.120 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(-c2cccs2)n[nH]1 ZINC000175272810 822921409 /nfs/dbraw/zinc/92/14/09/822921409.db2.gz KHLXBQGDBOOOCG-SFHVURJKSA-N 1 0 394.544 4.122 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cccc(OC(F)F)c1 ZINC000175278426 822922734 /nfs/dbraw/zinc/92/27/34/822922734.db2.gz VXKZZOAKZPBDAQ-SFHVURJKSA-N 1 0 388.458 4.272 20 0 GIADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccc(Oc4cccc(Cl)c4)cn3)C2)C1 ZINC000457820936 822922793 /nfs/dbraw/zinc/92/27/93/822922793.db2.gz LYCOPJJMMAEKFR-NRFANRHFSA-N 1 0 385.895 4.085 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc2ncsc2c1 ZINC000175278354 822922823 /nfs/dbraw/zinc/92/28/23/822922823.db2.gz UKKDTINTNFVLHT-GOSISDBHSA-N 1 0 379.529 4.281 20 0 GIADRO CC(C)Oc1ccc(/C=C/C(=O)N(Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000186614910 822923767 /nfs/dbraw/zinc/92/37/67/822923767.db2.gz AOKFLTHUPHLBJV-FLSMSTFGSA-N 1 0 393.531 4.053 20 0 GIADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(Oc2cccc(Cl)c2)cn1 ZINC000457832273 822923814 /nfs/dbraw/zinc/92/38/14/822923814.db2.gz YHCLENGYIPMURC-MGPUTAFESA-N 1 0 385.895 4.226 20 0 GIADRO Fc1ccc(C[NH+]2CCC(NC(=S)Nc3ccccc3Cl)CC2)cc1 ZINC000054954853 822924923 /nfs/dbraw/zinc/92/49/23/822924923.db2.gz UHNBVOQJAZUMSE-UHFFFAOYSA-N 1 0 377.916 4.430 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1oc2c(c1C)C(=O)CCC2 ZINC000175287661 822925112 /nfs/dbraw/zinc/92/51/12/822925112.db2.gz GKBVXLPJUSSUDB-IBGZPJMESA-N 1 0 394.515 4.091 20 0 GIADRO Cc1ccc(CN(CC[NH+](C)C)C(=S)Nc2cccc(Br)c2)o1 ZINC000054974499 822927087 /nfs/dbraw/zinc/92/70/87/822927087.db2.gz PUGLKPIVYUEYDY-UHFFFAOYSA-N 1 0 396.354 4.111 20 0 GIADRO Cc1cccc2nc(C3CCN(C(=O)NCC[C@H](C)[NH+]4CCCCC4)CC3)oc21 ZINC000186639791 822927731 /nfs/dbraw/zinc/92/77/31/822927731.db2.gz SPLJPQYILBTBJD-SFHVURJKSA-N 1 0 398.551 4.290 20 0 GIADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C[C@H](C)c1ccccc1F ZINC000175298695 822928313 /nfs/dbraw/zinc/92/83/13/822928313.db2.gz XEEOOBCBUHERPL-KRWDZBQOSA-N 1 0 399.510 4.109 20 0 GIADRO C[C@@H]1CCC[C@@H]1CC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C(F)(F)F ZINC000186645187 822928719 /nfs/dbraw/zinc/92/87/19/822928719.db2.gz NQPNITHLJNLPMI-HUUCEWRRSA-N 1 0 383.458 4.222 20 0 GIADRO C[C@H]1CCC[C@@H]1CC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C(F)(F)F ZINC000186645203 822928767 /nfs/dbraw/zinc/92/87/67/822928767.db2.gz NQPNITHLJNLPMI-LSDHHAIUSA-N 1 0 383.458 4.222 20 0 GIADRO COC[C@@H]([NH2+]Cc1ccc(OCc2noc(C)n2)cc1)c1cccc(Cl)c1 ZINC000569499817 822930480 /nfs/dbraw/zinc/93/04/80/822930480.db2.gz ZURDECJOXVFGBH-LJQANCHMSA-N 1 0 387.867 4.088 20 0 GIADRO C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+]1C[C@@H](c2cnn(C)c2)C(C)(C)C1 ZINC000569501239 822930506 /nfs/dbraw/zinc/93/05/06/822930506.db2.gz NCNSRBJFYNZKFE-KDOFPFPSSA-N 1 0 399.926 4.234 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)Nc2ccccc2N2CCCC2)CC1 ZINC000175312102 822931958 /nfs/dbraw/zinc/93/19/58/822931958.db2.gz LXRABPJIWFYEGM-UHFFFAOYSA-N 1 0 392.547 4.415 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+](C)CCc1ccc(F)cc1 ZINC000055024314 822932015 /nfs/dbraw/zinc/93/20/15/822932015.db2.gz PKSGOYLFUCKYPA-UHFFFAOYSA-N 1 0 394.494 4.131 20 0 GIADRO Cc1ccc(C(=O)C(C(=S)NCc2cccs2)[n+]2cccc(C)c2)cc1 ZINC000055027234 822932295 /nfs/dbraw/zinc/93/22/95/822932295.db2.gz XMBMOKGOHDHPIU-UHFFFAOYSA-O 1 0 381.546 4.381 20 0 GIADRO Cc1nn(-c2cccc(Cl)c2)c(Cl)c1CNC1CC[NH+](C2CC2)CC1 ZINC000055043117 822933642 /nfs/dbraw/zinc/93/36/42/822933642.db2.gz BWGFJOHZIJXBIG-UHFFFAOYSA-N 1 0 379.335 4.204 20 0 GIADRO O=C(Nc1cccc(-c2ccccc2)c1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000569520529 822933820 /nfs/dbraw/zinc/93/38/20/822933820.db2.gz JQCDULOYLDCKKO-GOTSBHOMSA-N 1 0 393.531 4.243 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N1CCC(c2ccc(O)cc2)CC1 ZINC000055044683 822933927 /nfs/dbraw/zinc/93/39/27/822933927.db2.gz HFPNXTZRQFDTCE-OAQYLSRUSA-N 1 0 397.519 4.101 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)N1CCC(c2ccc(O)cc2)CC1 ZINC000055044685 822933962 /nfs/dbraw/zinc/93/39/62/822933962.db2.gz HFPNXTZRQFDTCE-NRFANRHFSA-N 1 0 397.519 4.101 20 0 GIADRO COc1cc(C[NH2+]C[C@H]2CCCSC2)cc(Br)c1OC(F)F ZINC000569524655 822934394 /nfs/dbraw/zinc/93/43/94/822934394.db2.gz DXSMSEALFPHSFI-SNVBAGLBSA-N 1 0 396.297 4.292 20 0 GIADRO CN1CC[C@H]([NH2+][C@H](C(=O)Nc2ccccc2)c2ccccc2)[C@@H]1c1ccccc1 ZINC000569533216 822935753 /nfs/dbraw/zinc/93/57/53/822935753.db2.gz FJIQGISFXQDQLS-HJOGWXRNSA-N 1 0 385.511 4.401 20 0 GIADRO C[C@@H](CCCc1cccnc1)NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000457921717 822936293 /nfs/dbraw/zinc/93/62/93/822936293.db2.gz GOMBWQBMEXOOTN-FQEVSTJZSA-N 1 0 379.548 4.211 20 0 GIADRO C[NH+]1CCC(NC(=O)CCc2c3cc(F)ccc3[nH]c2-c2ccccc2)CC1 ZINC000055083626 822936987 /nfs/dbraw/zinc/93/69/87/822936987.db2.gz XHPIRTGHXFPWJL-UHFFFAOYSA-N 1 0 379.479 4.117 20 0 GIADRO C[C@@H](NC(=O)NC[C@@H](c1cccs1)[NH+](C)C)c1ccccc1C(F)(F)F ZINC000055087574 822936994 /nfs/dbraw/zinc/93/69/94/822936994.db2.gz ZHNHOUGKCADGSY-DOMZBBRYSA-N 1 0 385.455 4.430 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@H](c1cccnc1)C(C)C ZINC000175330880 822937103 /nfs/dbraw/zinc/93/71/03/822937103.db2.gz JLDGSECJJGJFLA-QFIPXVFZSA-N 1 0 382.552 4.162 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@@H](c1cccnc1)C(C)C ZINC000175330863 822937157 /nfs/dbraw/zinc/93/71/57/822937157.db2.gz JLDGSECJJGJFLA-JOCHJYFZSA-N 1 0 382.552 4.162 20 0 GIADRO CC[C@@H](NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)c1cccs1 ZINC000457927682 822938096 /nfs/dbraw/zinc/93/80/96/822938096.db2.gz MMQFKKNDQYLIMG-CQSZACIVSA-N 1 0 377.476 4.257 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000457932785 822939242 /nfs/dbraw/zinc/93/92/42/822939242.db2.gz CFZYDNRAQWRWBZ-UHFFFAOYSA-N 1 0 389.490 4.474 20 0 GIADRO COc1ccc(Sc2ccc(NC(=O)N(C3CC3)[C@H]3CC[NH2+]C3)cc2)cc1 ZINC000569555936 822939376 /nfs/dbraw/zinc/93/93/76/822939376.db2.gz JUCLCNWKQZUARL-KRWDZBQOSA-N 1 0 383.517 4.205 20 0 GIADRO C[C@H](NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)c1nc2c(s1)CCC2 ZINC000457936047 822940154 /nfs/dbraw/zinc/94/01/54/822940154.db2.gz UCAPIRVIFOCBQV-INIZCTEOSA-N 1 0 383.561 4.111 20 0 GIADRO COc1ccc2c(c1)oc(C(=O)N1C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C1)c2-c1ccccc1 ZINC000569567968 822941081 /nfs/dbraw/zinc/94/10/81/822941081.db2.gz WFSUIAOITOXYRJ-PWIZWCRZSA-N 1 0 390.483 4.308 20 0 GIADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl ZINC000186705735 822941336 /nfs/dbraw/zinc/94/13/36/822941336.db2.gz YPPUVTKNTWZZFY-GZMMTYOYSA-N 1 0 376.831 4.301 20 0 GIADRO C[C@H](Sc1ccccc1Cl)C(=O)Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000569583699 822942052 /nfs/dbraw/zinc/94/20/52/822942052.db2.gz UMLGLKBXOSCSSZ-YOEHRIQHSA-N 1 0 390.936 4.026 20 0 GIADRO O=C(c1ccncc1)N1CCC([NH2+]Cc2ccc(F)c(-c3cccs3)c2)CC1 ZINC000055171412 822943257 /nfs/dbraw/zinc/94/32/57/822943257.db2.gz YCXFINGFLRXHPX-UHFFFAOYSA-N 1 0 395.503 4.344 20 0 GIADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@H](C)c1nccs1 ZINC000186728439 822945920 /nfs/dbraw/zinc/94/59/20/822945920.db2.gz YOOIAMUKKWXHOW-VXGBXAGGSA-N 1 0 382.327 4.016 20 0 GIADRO COc1cc(C)c(NC(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1F ZINC000186738635 822947755 /nfs/dbraw/zinc/94/77/55/822947755.db2.gz HZWWLLIPDIOWJC-LIRRHRJNSA-N 1 0 391.512 4.409 20 0 GIADRO C[C@H](C[NH2+][C@@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1)c1nccs1 ZINC000186743009 822948560 /nfs/dbraw/zinc/94/85/60/822948560.db2.gz MMZIXGCTZVIZQE-NEPJUHHUSA-N 1 0 387.427 4.152 20 0 GIADRO C[C@@H]([NH2+]CCc1ccc(OCC(F)(F)F)nc1)c1nc2c(s1)CCCC2 ZINC000186751959 822949846 /nfs/dbraw/zinc/94/98/46/822949846.db2.gz NBZPCRAGABZHKO-GFCCVEGCSA-N 1 0 385.455 4.251 20 0 GIADRO CC(C)c1ccc(-c2noc(CCC(=O)NCCC[N@@H+]3CCCC[C@H]3C)n2)cc1 ZINC000055293136 822950264 /nfs/dbraw/zinc/95/02/64/822950264.db2.gz XXLJSPCLCVLPSY-GOSISDBHSA-N 1 0 398.551 4.173 20 0 GIADRO C[NH+](C)CCOc1ccccc1CNC(=O)Nc1ccc(-c2ccccn2)cc1 ZINC000569653912 822950749 /nfs/dbraw/zinc/95/07/49/822950749.db2.gz XLCFKEFNTDVRIB-UHFFFAOYSA-N 1 0 390.487 4.011 20 0 GIADRO C[NH+](C)CCOc1ccccc1-c1noc([C@@]2(C)CCc3ccccc3C2)n1 ZINC000569655640 822951003 /nfs/dbraw/zinc/95/10/03/822951003.db2.gz VNUWKHSYQSOOFX-QHCPKHFHSA-N 1 0 377.488 4.124 20 0 GIADRO O=C(Nc1cc(F)ccc1SCC(F)F)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000175378900 822952065 /nfs/dbraw/zinc/95/20/65/822952065.db2.gz WKFQLSFWEREUTD-ZDUSSCGKSA-N 1 0 387.471 4.133 20 0 GIADRO C[C@@H]([C@H](C)NC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)C1CCCCC1 ZINC000175381104 822952627 /nfs/dbraw/zinc/95/26/27/822952627.db2.gz DPDXHLYQEGFXBH-ROUUACIJSA-N 1 0 375.557 4.490 20 0 GIADRO CC[C@H]1[C@@H](C)CCN1C(=O)Nc1ccc(OC)c(OCC[NH+](CC)CC)c1 ZINC000186773485 822953031 /nfs/dbraw/zinc/95/30/31/822953031.db2.gz IUICOUVFKLKBDM-WMZOPIPTSA-N 1 0 377.529 4.068 20 0 GIADRO CC[NH+](CC)CCOc1cc(NC(=O)N2CCCC[C@H](C)C2)ccc1OC ZINC000186774884 822953299 /nfs/dbraw/zinc/95/32/99/822953299.db2.gz WAQKJISYNOXJJC-KRWDZBQOSA-N 1 0 377.529 4.070 20 0 GIADRO Cc1cnc([C@H](C)C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)s1 ZINC000186775459 822953526 /nfs/dbraw/zinc/95/35/26/822953526.db2.gz NYXGTZKZLIJQOO-CYBMUJFWSA-N 1 0 377.941 4.103 20 0 GIADRO c1ccc2c(c1)oc1c2ncnc1N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000055357352 822954312 /nfs/dbraw/zinc/95/43/12/822954312.db2.gz HQVTZWUUSAJTEC-UHFFFAOYSA-N 1 0 395.466 4.246 20 0 GIADRO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000055375678 822956067 /nfs/dbraw/zinc/95/60/67/822956067.db2.gz YMFKXELKCGVJET-STQMWFEESA-N 1 0 390.867 4.064 20 0 GIADRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)NC1CCC(C(F)F)CC1 ZINC000458091396 822957380 /nfs/dbraw/zinc/95/73/80/822957380.db2.gz FUNLWUOGLWZEHP-UHFFFAOYSA-N 1 0 385.524 4.083 20 0 GIADRO O=C1CCCN1[C@@H]1CCC[C@@H]([NH2+][C@H](c2cc3ccccc3o2)c2cccnc2)C1 ZINC000569709640 822957545 /nfs/dbraw/zinc/95/75/45/822957545.db2.gz GCHVJDPUKULZOK-REHUZNOOSA-N 1 0 389.499 4.440 20 0 GIADRO O=C(CCc1ccc(-c2ccccc2)[nH]1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000055399071 822957624 /nfs/dbraw/zinc/95/76/24/822957624.db2.gz QZRLLHFNYAIYTE-UHFFFAOYSA-N 1 0 387.527 4.395 20 0 GIADRO C[C@H](NC(=O)[C@H](C)[N@@H+]1CCSC2(CCOCC2)C1)c1ccc2ccccc2c1 ZINC000186801503 822957725 /nfs/dbraw/zinc/95/77/25/822957725.db2.gz FWOOBOILLGZZKJ-ROUUACIJSA-N 1 0 398.572 4.004 20 0 GIADRO Cc1cc(CSc2ccccc2C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)on1 ZINC000055404627 822958152 /nfs/dbraw/zinc/95/81/52/822958152.db2.gz ACNZCAQTRQZFLL-RDJZCZTQSA-N 1 0 387.549 4.126 20 0 GIADRO C[C@H](CC(=O)N[C@H](c1ccccc1OC(F)F)C(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000569720186 822958750 /nfs/dbraw/zinc/95/87/50/822958750.db2.gz BGAKFQJSKNJHTN-XHBSWPGZSA-N 1 0 394.384 4.033 20 0 GIADRO O=C(CC[N@@H+]1CCSC2(CCOCC2)C1)Nc1ccccc1-c1ccccc1 ZINC000186808864 822958840 /nfs/dbraw/zinc/95/88/40/822958840.db2.gz UUHZMAUCHKJWKV-UHFFFAOYSA-N 1 0 396.556 4.280 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)c2ccc(-c3ccc(Br)s3)s2)CC[NH2+]1 ZINC000569723525 822959414 /nfs/dbraw/zinc/95/94/14/822959414.db2.gz LIHOZGPHJJCUJA-ZJUUUORDSA-N 1 0 385.352 4.109 20 0 GIADRO CCSCc1ccc(C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)cc1 ZINC000055418169 822959498 /nfs/dbraw/zinc/95/94/98/822959498.db2.gz QFHMQEQQYAYDPY-UHFFFAOYSA-N 1 0 383.561 4.334 20 0 GIADRO COc1cccc(Oc2ccc(NC(=O)N(C)C[C@@H]3CCC[N@H+](C)C3)cc2)c1 ZINC000175407998 822961597 /nfs/dbraw/zinc/96/15/97/822961597.db2.gz AFLJHLRHIKWOPC-QGZVFWFLSA-N 1 0 383.492 4.293 20 0 GIADRO COc1c(F)cc(NC(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)cc1F ZINC000175412482 822962710 /nfs/dbraw/zinc/96/27/10/822962710.db2.gz HLHCHHUNUZVPLG-HNNXBMFYSA-N 1 0 389.446 4.102 20 0 GIADRO C[C@@H]([NH2+]CC1(N2CCSCC2)CCCCC1)c1ccc(Br)cn1 ZINC000569758368 822964565 /nfs/dbraw/zinc/96/45/65/822964565.db2.gz DQFOZIXSJBSLDT-OAHLLOKOSA-N 1 0 398.414 4.246 20 0 GIADRO Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000458178199 822965682 /nfs/dbraw/zinc/96/56/82/822965682.db2.gz WEXMESROPMUIID-LBPRGKRZSA-N 1 0 385.455 4.085 20 0 GIADRO COC(=O)COc1ccccc1[C@@H](C)[NH2+]C[C@H](c1ccccc1)C(F)(F)F ZINC000186842914 822965926 /nfs/dbraw/zinc/96/59/26/822965926.db2.gz CQIPICASKSCHEF-RHSMWYFYSA-N 1 0 381.394 4.235 20 0 GIADRO COc1ccc(C[C@@H](C)C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)cc1F ZINC000186845501 822966542 /nfs/dbraw/zinc/96/65/42/822966542.db2.gz KHFZPACWMVPDJA-XLIONFOSSA-N 1 0 379.516 4.063 20 0 GIADRO Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc(OCC[NH+](C)C)c(C)c1 ZINC000458189604 822966903 /nfs/dbraw/zinc/96/69/03/822966903.db2.gz CWGNIWVIYOWISN-UHFFFAOYSA-N 1 0 393.487 4.080 20 0 GIADRO CS(=O)(=O)CCCCC[NH2+][C@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000186850421 822967585 /nfs/dbraw/zinc/96/75/85/822967585.db2.gz LOWQABFQDRLNKO-AWEZNQCLSA-N 1 0 380.337 4.012 20 0 GIADRO COc1cc(C[NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)ccc1OC(C)C ZINC000055472603 822967814 /nfs/dbraw/zinc/96/78/14/822967814.db2.gz WNOIQSDKZVAQRL-UHFFFAOYSA-N 1 0 382.504 4.008 20 0 GIADRO CS(=O)(=O)CCCCC[NH2+][C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000186855344 822968498 /nfs/dbraw/zinc/96/84/98/822968498.db2.gz OEJTWHPXVASWTC-INIZCTEOSA-N 1 0 396.553 4.131 20 0 GIADRO C/C(=C\C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccccc1OC(F)F ZINC000175443615 822970373 /nfs/dbraw/zinc/97/03/73/822970373.db2.gz IVEKTMCGBQCGSE-MAUBAPBLSA-N 1 0 378.463 4.026 20 0 GIADRO C[N@@H+]1CCC[C@H](CCNC(=O)c2[nH]ccc2-c2c(Cl)cccc2Cl)C1 ZINC000458222220 822970647 /nfs/dbraw/zinc/97/06/47/822970647.db2.gz QFKHWYSZCOAMFV-CYBMUJFWSA-N 1 0 380.319 4.450 20 0 GIADRO CN(C(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1)C1(C[NH3+])CCC1 ZINC000569802887 822971165 /nfs/dbraw/zinc/97/11/65/822971165.db2.gz RYMGGIXRMDQLJD-UHFFFAOYSA-N 1 0 397.569 4.421 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)c2c(F)ccc(F)c2F)CC[N@@H+]1Cc1ccccc1 ZINC000186869234 822971386 /nfs/dbraw/zinc/97/13/86/822971386.db2.gz NZQLODQNDJXTMC-HOCLYGCPSA-N 1 0 376.422 4.229 20 0 GIADRO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+][C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1 ZINC000569805044 822971481 /nfs/dbraw/zinc/97/14/81/822971481.db2.gz XIGPQTWNOUKVDO-NLWGTHIKSA-N 1 0 393.886 4.037 20 0 GIADRO C[C@@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)[N@@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000569805104 822971484 /nfs/dbraw/zinc/97/14/84/822971484.db2.gz CULXXQFQMIUXGZ-WDEREUQCSA-N 1 0 378.263 4.317 20 0 GIADRO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+][C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c1 ZINC000569805043 822971495 /nfs/dbraw/zinc/97/14/95/822971495.db2.gz XIGPQTWNOUKVDO-GGPKGHCWSA-N 1 0 393.886 4.037 20 0 GIADRO C[C@@H]([NH2+]CCCCCS(C)(=O)=O)c1ccc(Oc2ccccc2)c(F)c1 ZINC000186871366 822971940 /nfs/dbraw/zinc/97/19/40/822971940.db2.gz VRIINRUEQVIYLH-MRXNPFEDSA-N 1 0 379.497 4.484 20 0 GIADRO O[C@H]([C@H]1CCC[N@@H+]([C@@H](c2ccc(Cl)cc2)C2CCOCC2)C1)C(F)(F)F ZINC000569821840 822972877 /nfs/dbraw/zinc/97/28/77/822972877.db2.gz DNQBWZLPZZZZJS-RYQLBKOJSA-N 1 0 391.861 4.443 20 0 GIADRO O[C@H]([C@@H]1CCC[N@@H+]([C@@H](c2ccc(Cl)cc2)C2CCOCC2)C1)C(F)(F)F ZINC000569821837 822972897 /nfs/dbraw/zinc/97/28/97/822972897.db2.gz DNQBWZLPZZZZJS-BPQIPLTHSA-N 1 0 391.861 4.443 20 0 GIADRO CC(C)Cc1ccc([C@H](CNC(=O)[C@H]2CCC(=O)c3ccccc32)[NH+](C)C)cc1 ZINC000569828396 822973349 /nfs/dbraw/zinc/97/33/49/822973349.db2.gz JVLOBKQQGZIKFT-GOTSBHOMSA-N 1 0 392.543 4.364 20 0 GIADRO CCCCOc1ccc([C@@H](C)[NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)cc1 ZINC000569832892 822973991 /nfs/dbraw/zinc/97/39/91/822973991.db2.gz UFEMOYXBXZMKPZ-QGZVFWFLSA-N 1 0 396.597 4.109 20 0 GIADRO CN(Cc1cc2ccccc2o1)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000175458078 822974131 /nfs/dbraw/zinc/97/41/31/822974131.db2.gz SKNGECVLVIDVNB-FQEVSTJZSA-N 1 0 391.515 4.139 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CC2(CCOC)CCCCC2)cc1 ZINC000186887485 822975069 /nfs/dbraw/zinc/97/50/69/822975069.db2.gz CZMRWUODYUXEMK-QGZVFWFLSA-N 1 0 382.570 4.086 20 0 GIADRO CCc1c(C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)cnn1-c1ccccc1OC ZINC000458262580 822975098 /nfs/dbraw/zinc/97/50/98/822975098.db2.gz KOGSYSHLHJBVIY-UHFFFAOYSA-N 1 0 392.503 4.066 20 0 GIADRO Cc1noc(CSc2ccc(C(=O)Nc3ccc(C[NH+](C)C)c(C)c3)cc2)n1 ZINC000458262806 822975102 /nfs/dbraw/zinc/97/51/02/822975102.db2.gz ABPPZEOIJIVMDU-UHFFFAOYSA-N 1 0 396.516 4.293 20 0 GIADRO Cc1cc(NC(=O)Cc2ccc(F)c(Br)c2)ccc1C[NH+](C)C ZINC000458265144 822975437 /nfs/dbraw/zinc/97/54/37/822975437.db2.gz CGQXQVCQVYIUOT-UHFFFAOYSA-N 1 0 379.273 4.139 20 0 GIADRO COc1cc(C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)sc1Br ZINC000458267063 822975728 /nfs/dbraw/zinc/97/57/28/822975728.db2.gz DVQZBIFDKKXUNR-UHFFFAOYSA-N 1 0 383.311 4.142 20 0 GIADRO Cc1cc(NC(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)ccc1C[NH+](C)C ZINC000458268173 822976033 /nfs/dbraw/zinc/97/60/33/822976033.db2.gz FXDJHZOTKVAING-UHFFFAOYSA-N 1 0 391.302 4.192 20 0 GIADRO COc1ccc(COC[C@H](O)C[NH2+][C@@H](C)c2nc(-c3ccccc3)cs2)cc1 ZINC000569855569 822976266 /nfs/dbraw/zinc/97/62/66/822976266.db2.gz ACAOUJNINWEXFZ-QFBILLFUSA-N 1 0 398.528 4.047 20 0 GIADRO C[C@H](Cc1cncc2ccccc21)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000458272048 822976382 /nfs/dbraw/zinc/97/63/82/822976382.db2.gz KNDVLKPSYUBNDX-MRXNPFEDSA-N 1 0 395.478 4.132 20 0 GIADRO CN1C(=O)CCc2cc(C[N@H+](C)Cc3csc(Br)c3)ccc21 ZINC000186912401 822978869 /nfs/dbraw/zinc/97/88/69/822978869.db2.gz VRASWDDWMLMEPG-UHFFFAOYSA-N 1 0 379.323 4.052 20 0 GIADRO CC(C)c1c(NC(=O)NCC2=CC[N@H+](C)CC2)cnn1-c1ccccc1Cl ZINC000569878140 822979736 /nfs/dbraw/zinc/97/97/36/822979736.db2.gz KACVDLABCKUYQD-UHFFFAOYSA-N 1 0 387.915 4.033 20 0 GIADRO Cc1cc(NC(=O)CCC(=O)CCC(=O)c2cccs2)ccc1C[NH+](C)C ZINC000458294156 822979771 /nfs/dbraw/zinc/97/97/71/822979771.db2.gz VOEMDGDHUCFQMB-UHFFFAOYSA-N 1 0 386.517 4.069 20 0 GIADRO CC(C)[C@H]1CCC[C@H](NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000458296236 822980081 /nfs/dbraw/zinc/98/00/81/822980081.db2.gz QWDQGSRZNUNOMH-HOTGVXAUSA-N 1 0 377.495 4.259 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH+]1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000186924518 822980962 /nfs/dbraw/zinc/98/09/62/822980962.db2.gz PSRFXCAHLDPCQR-SFHVURJKSA-N 1 0 395.547 4.130 20 0 GIADRO CC(C)c1cc(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)n(-c2ccccc2)n1 ZINC000569893070 822981883 /nfs/dbraw/zinc/98/18/83/822981883.db2.gz YYVBMGAZASGTBY-UHFFFAOYSA-N 1 0 383.540 4.380 20 0 GIADRO COc1ccc(C[C@@H](C)C[NH2+][C@@H](c2nccn2C)c2cccc(F)c2)cc1F ZINC000186944460 822984451 /nfs/dbraw/zinc/98/44/51/822984451.db2.gz XHFVICQJDIZQKE-QVKFZJNVSA-N 1 0 385.458 4.265 20 0 GIADRO O[C@H](C[NH+]1CCC(O)(Cc2cccc(F)c2)CC1)c1ccc(Cl)cc1Cl ZINC000186946698 822984841 /nfs/dbraw/zinc/98/48/41/822984841.db2.gz RDAARVQRSRAJTR-LJQANCHMSA-N 1 0 398.305 4.236 20 0 GIADRO Cc1nnc(-c2cccc(C(=O)N3CC[NH+](C4CCC(C(C)C)CC4)CC3)c2)o1 ZINC000175504216 822985076 /nfs/dbraw/zinc/98/50/76/822985076.db2.gz CRHFBRZIZOPHOO-UHFFFAOYSA-N 1 0 396.535 4.018 20 0 GIADRO C(=C/[C@H]1CCCCC[N@H+]1Cc1cnc(N2CCOCC2)s1)\c1ccccc1 ZINC000569914154 822985059 /nfs/dbraw/zinc/98/50/59/822985059.db2.gz SMJAOBPQMNOXHC-CTDFXDFQSA-N 1 0 383.561 4.438 20 0 GIADRO C(=C\[C@@H]1CCCCC[N@H+]1Cc1cnc(N2CCOCC2)s1)\c1ccccc1 ZINC000569914156 822985206 /nfs/dbraw/zinc/98/52/06/822985206.db2.gz SMJAOBPQMNOXHC-PISNEZEASA-N 1 0 383.561 4.438 20 0 GIADRO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2cnc(-c3ccc(Cl)cc3)s2)N1 ZINC000569913308 822985232 /nfs/dbraw/zinc/98/52/32/822985232.db2.gz DALIAJZBXOCALC-OAHLLOKOSA-N 1 0 380.864 4.310 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCCc3ccccc3C2)[C@@H]1c1cccs1 ZINC000175512511 822987732 /nfs/dbraw/zinc/98/77/32/822987732.db2.gz DNULOQKPKLNZTR-WIYYLYMNSA-N 1 0 383.561 4.289 20 0 GIADRO CCN(C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)[C@H](C)c1cccnc1 ZINC000175512807 822987776 /nfs/dbraw/zinc/98/77/76/822987776.db2.gz XSINNKGEPUEBAD-KPFFTGBYSA-N 1 0 386.565 4.319 20 0 GIADRO Cc1cc(C(=O)N2CCC3(CCC[N@H+]3C)CC2)cc(Cl)c1Br ZINC000569946021 822988605 /nfs/dbraw/zinc/98/86/05/822988605.db2.gz DCNKXASQMOQRQJ-UHFFFAOYSA-N 1 0 385.733 4.111 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)NCCc2c[nH]c3ccccc23)CC1 ZINC000175516098 822988692 /nfs/dbraw/zinc/98/86/92/822988692.db2.gz YYAZVLULPNMKNW-UHFFFAOYSA-N 1 0 390.531 4.016 20 0 GIADRO CN(Cc1ccc(F)c(F)c1)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000175515971 822988731 /nfs/dbraw/zinc/98/87/31/822988731.db2.gz OWJYTEJAFVOCFA-HNAYVOBHSA-N 1 0 393.503 4.251 20 0 GIADRO CCCN(CC[NH+]1CCCCC1)C(=O)Nc1cc(OC)ccc1Br ZINC000569952913 822989446 /nfs/dbraw/zinc/98/94/46/822989446.db2.gz YKMATWSSIQNFGJ-UHFFFAOYSA-N 1 0 398.345 4.188 20 0 GIADRO CN1c2ccc(C[N@@H+](Cc3ccccc3)CC3CCOCC3)cc2CCC1=O ZINC000186970257 822989598 /nfs/dbraw/zinc/98/95/98/822989598.db2.gz LYCPXTKSDYUOEK-UHFFFAOYSA-N 1 0 378.516 4.024 20 0 GIADRO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[NH2+]C1(c2ccccc2)CCC1 ZINC000175521491 822989910 /nfs/dbraw/zinc/98/99/10/822989910.db2.gz GLMGGLILUKRCLU-UHFFFAOYSA-N 1 0 388.515 4.405 20 0 GIADRO C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C[NH2+][C@H](c1ccccc1)C(C)(C)CO ZINC000569972938 822991861 /nfs/dbraw/zinc/99/18/61/822991861.db2.gz PQDONYPYJYVQET-YADARESESA-N 1 0 394.559 4.163 20 0 GIADRO O=C(Cc1cccs1)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000175532012 822992133 /nfs/dbraw/zinc/99/21/33/822992133.db2.gz MRWCMBPOUKGNTD-QGZVFWFLSA-N 1 0 396.478 4.204 20 0 GIADRO CC(C)C[C@@H]([NH2+][C@@H](C)c1cncc(Br)c1)C(=O)Nc1nccs1 ZINC000569988146 822993788 /nfs/dbraw/zinc/99/37/88/822993788.db2.gz FGPPOQMNDMBJFU-SMDDNHRTSA-N 1 0 397.342 4.005 20 0 GIADRO COC1(C)CC[NH+]([C@@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)CC1 ZINC000569995835 822994588 /nfs/dbraw/zinc/99/45/88/822994588.db2.gz OYKCCQIDWQGIGK-SFHVURJKSA-N 1 0 382.504 4.094 20 0 GIADRO CCOCCC[N@@H+]1CC[C@@H](NCc2cc(-c3ccc(Cl)cc3)no2)[C@H](C)C1 ZINC000187010691 822996922 /nfs/dbraw/zinc/99/69/22/822996922.db2.gz AYXKQJMHPMYESO-OXQOHEQNSA-N 1 0 391.943 4.222 20 0 GIADRO CC(C)CC[NH+]1CCC(CNC(=O)N[C@@H](C)c2ncc(-c3ccccc3)o2)CC1 ZINC000175569482 822999317 /nfs/dbraw/zinc/99/93/17/822999317.db2.gz LLNLPTNSQSRDLC-SFHVURJKSA-N 1 0 398.551 4.460 20 0 GIADRO CCOCCC[N@@H+]1CC[C@H](NCc2coc(-c3cccc(Cl)c3)n2)[C@H](C)C1 ZINC000187024848 822999746 /nfs/dbraw/zinc/99/97/46/822999746.db2.gz ZYPSIGJFIHBOGC-UZLBHIALSA-N 1 0 391.943 4.222 20 0 GIADRO Cc1cccc(COc2cccc(C(=O)N3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)c2)c1 ZINC000570041252 822999998 /nfs/dbraw/zinc/99/99/98/822999998.db2.gz PSCMEQWEPXPBOE-FGZHOGPDSA-N 1 0 378.516 4.036 20 0 GIADRO C[NH+](C)Cc1cc(CNC(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)ccc1F ZINC000187029231 823000532 /nfs/dbraw/zinc/00/05/32/823000532.db2.gz ARNPNVOZHDYGCO-UHFFFAOYSA-N 1 0 394.412 4.254 20 0 GIADRO C[C@@]1(Cc2cccc(F)c2)CCCN1C(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000570047489 823000767 /nfs/dbraw/zinc/00/07/67/823000767.db2.gz WZIUWFZIWBUETI-URXFXBBRSA-N 1 0 395.522 4.057 20 0 GIADRO COc1cccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCCO[C@H](C(C)C)C2)c1 ZINC000570063115 823001932 /nfs/dbraw/zinc/00/19/32/823001932.db2.gz NVGHPLCYIHOFAO-FCHUYYIVSA-N 1 0 382.504 4.122 20 0 GIADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)Nc1ccc(Oc2cccc(F)c2)cc1 ZINC000175584737 823002274 /nfs/dbraw/zinc/00/22/74/823002274.db2.gz JVIUVEGYWYROFM-NRFANRHFSA-N 1 0 386.467 4.350 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)CCc2ncc(C(C)(C)C)o2)[NH+]2CCCC2)cc1 ZINC000187045567 823003140 /nfs/dbraw/zinc/00/31/40/823003140.db2.gz PBVHPUFCTPOFIK-LJQANCHMSA-N 1 0 383.536 4.166 20 0 GIADRO C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+]Cc1ccc(NS(C)(=O)=O)cc1 ZINC000570075875 823003842 /nfs/dbraw/zinc/00/38/42/823003842.db2.gz QRLDOELFRJGWHT-UVTDQMKNSA-N 1 0 398.450 4.270 20 0 GIADRO C[C@@H](C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1)c1ccc(Cl)s1 ZINC000175594416 823003869 /nfs/dbraw/zinc/00/38/69/823003869.db2.gz WORLVGZIRKKTQE-CQSZACIVSA-N 1 0 377.941 4.286 20 0 GIADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H]2CCSc3cc(C)c(C)cc32)cc1 ZINC000187053848 823004319 /nfs/dbraw/zinc/00/43/19/823004319.db2.gz KNPVUEMOLIIDIX-BEFAXECRSA-N 1 0 390.574 4.099 20 0 GIADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H]2CCSc3cc(C)c(C)cc32)cc1 ZINC000187053812 823004355 /nfs/dbraw/zinc/00/43/55/823004355.db2.gz KNPVUEMOLIIDIX-KXBFYZLASA-N 1 0 390.574 4.099 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)COc1ccc(F)cc1F)c1ncc(Br)cc1F ZINC000187055341 823004482 /nfs/dbraw/zinc/00/44/82/823004482.db2.gz ZUWJLCZEFZCCNU-VHSXEESVSA-N 1 0 389.215 4.380 20 0 GIADRO Cc1cc(Br)cc([C@@H](C)[NH2+]Cc2ccccc2-n2ccnc2)c1O ZINC000187055225 823004525 /nfs/dbraw/zinc/00/45/25/823004525.db2.gz BIYWZFGUCMMVIL-CQSZACIVSA-N 1 0 386.293 4.500 20 0 GIADRO COc1cccc([C@@H]2[C@H]([NH2+][C@H](C)c3ccc(OC)c(O)c3)CCN2C2CC2)c1 ZINC000570090646 823004951 /nfs/dbraw/zinc/00/49/51/823004951.db2.gz VGOOTKHRNIPTDP-ZFUCPZCZSA-N 1 0 382.504 4.038 20 0 GIADRO Cc1cccc(NC(=O)C(=O)Nc2ccc(SCC[NH+]3CCCCC3)cc2)c1 ZINC000570091607 823005137 /nfs/dbraw/zinc/00/51/37/823005137.db2.gz POVGNNNFGBYTNH-UHFFFAOYSA-N 1 0 397.544 4.150 20 0 GIADRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N1CCC(OCC2CCCC2)CC1 ZINC000175608258 823005843 /nfs/dbraw/zinc/00/58/43/823005843.db2.gz DTJVPEHNHOPPCH-HSZRJFAPSA-N 1 0 399.579 4.204 20 0 GIADRO CCN1CCC([NH+]2CCC(C(=O)NCc3c(C)c(C)c(C)c(C)c3C)CC2)CC1 ZINC000570105291 823006280 /nfs/dbraw/zinc/00/62/80/823006280.db2.gz XRQNLBLMOPRXRD-UHFFFAOYSA-N 1 0 399.623 4.041 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)c2cscc2Br)CC1 ZINC000570113374 823006955 /nfs/dbraw/zinc/00/69/55/823006955.db2.gz JKPNKCPCRXOMNY-UHFFFAOYSA-N 1 0 393.350 4.247 20 0 GIADRO COc1ccc([C@H](CNC(=O)N([C@@H](C)c2ccco2)C2CC2)[NH+]2CCCC2)cc1 ZINC000175620361 823007996 /nfs/dbraw/zinc/00/79/96/823007996.db2.gz JNNRHZDQFQANCD-UWJYYQICSA-N 1 0 397.519 4.360 20 0 GIADRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1cc2cc(Cl)sc2[nH]1 ZINC000570134807 823009063 /nfs/dbraw/zinc/00/90/63/823009063.db2.gz FULDIFPJHCMSBA-UHFFFAOYSA-N 1 0 379.888 4.226 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCCC1)Nc1ccc2c(c1)CCCN2 ZINC000570145532 823010142 /nfs/dbraw/zinc/01/01/42/823010142.db2.gz ZTQKTAKALSGDEC-UHFFFAOYSA-N 1 0 378.520 4.352 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)N[C@H](C)c2cccc(OC(F)(F)F)c2)CC1 ZINC000175639425 823011201 /nfs/dbraw/zinc/01/12/01/823011201.db2.gz SXEKMTMCTXPSRB-CQSZACIVSA-N 1 0 387.446 4.162 20 0 GIADRO COc1cc(CN(C)C(=O)C[C@H]2CCCC[C@H]2[NH3+])ccc1OCc1ccccc1 ZINC000570158071 823011328 /nfs/dbraw/zinc/01/13/28/823011328.db2.gz MOJKEDLBBKBCDL-NHCUHLMSSA-N 1 0 396.531 4.140 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)c1cc(C(=O)OC)cs1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000570171267 823011984 /nfs/dbraw/zinc/01/19/84/823011984.db2.gz URUQSHKUJWKWFF-QSFXBCCZSA-N 1 0 398.532 4.153 20 0 GIADRO C[NH+](C)CCc1ccc(C(=O)N2CCC(Cc3ccc(F)c(F)c3)CC2)cc1 ZINC000570174708 823012529 /nfs/dbraw/zinc/01/25/29/823012529.db2.gz FZTJWIFLBQBQJV-UHFFFAOYSA-N 1 0 386.486 4.164 20 0 GIADRO COc1cc(NC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)ccc1F ZINC000187118151 823013192 /nfs/dbraw/zinc/01/31/92/823013192.db2.gz SQPGQRLWNOVAEE-UHFFFAOYSA-N 1 0 385.483 4.007 20 0 GIADRO C[C@]1(C2CC2)NC(=O)N(c2cccc(C[NH2+]C3CC4(C3)CCCCC4)c2)C1=O ZINC000570196580 823014272 /nfs/dbraw/zinc/01/42/72/823014272.db2.gz QIAYNDIISVCMEP-JOCHJYFZSA-N 1 0 381.520 4.114 20 0 GIADRO CC[N@H+](CCNC(=O)Nc1ccc(OC(C)C)cc1C)CCC(F)(F)F ZINC000570229306 823016953 /nfs/dbraw/zinc/01/69/53/823016953.db2.gz GQUWBVNYZZAUIX-UHFFFAOYSA-N 1 0 375.435 4.178 20 0 GIADRO Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000175672806 823017254 /nfs/dbraw/zinc/01/72/54/823017254.db2.gz ZENBBEYJCYCABR-IBGZPJMESA-N 1 0 394.563 4.241 20 0 GIADRO O=C(NC1CC[NH+](Cc2cccnc2)CC1)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000175674223 823017723 /nfs/dbraw/zinc/01/77/23/823017723.db2.gz NBQLABFQRVVERX-DNQXCXABSA-N 1 0 385.511 4.119 20 0 GIADRO C[C@@H]1[C@H](NC(=O)N2CCC[C@@H](C(F)(F)F)[C@@H]2C)CC[N@@H+]1Cc1ccccc1 ZINC000570238009 823017804 /nfs/dbraw/zinc/01/78/04/823017804.db2.gz PQKKZNSXVYJKBV-BURFUSLBSA-N 1 0 383.458 4.022 20 0 GIADRO Cc1cccc2nc(C3CCN(C(=O)NCC(C)(C)[NH+]4CCCCC4)CC3)oc21 ZINC000187150841 823018047 /nfs/dbraw/zinc/01/80/47/823018047.db2.gz WKTSIQZQSLQUFY-UHFFFAOYSA-N 1 0 398.551 4.290 20 0 GIADRO COc1ncccc1CC[NH2+][C@@H](C)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000570250314 823019239 /nfs/dbraw/zinc/01/92/39/823019239.db2.gz DKCCXAOCCFIORZ-QFBILLFUSA-N 1 0 388.483 4.071 20 0 GIADRO CC[C@H](C)n1nc(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)cc1C ZINC000570254755 823019913 /nfs/dbraw/zinc/01/99/13/823019913.db2.gz ODORBVRLLFIEEE-GHTZIAJQSA-N 1 0 382.552 4.195 20 0 GIADRO FC(F)Oc1ccc(-c2noc([C@H]3CCC[N@H+](Cc4ccccc4)C3)n2)nc1 ZINC000570271522 823021534 /nfs/dbraw/zinc/02/15/34/823021534.db2.gz SVHUJEITFUTWTI-HNNXBMFYSA-N 1 0 386.402 4.113 20 0 GIADRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1ocnc1-c1ccccc1 ZINC000570274991 823021660 /nfs/dbraw/zinc/02/16/60/823021660.db2.gz SATQGYKMJFCYIH-UHFFFAOYSA-N 1 0 393.512 4.451 20 0 GIADRO CCO[C@H]1C[C@]([NH3+])(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1(C)C ZINC000187189335 823022701 /nfs/dbraw/zinc/02/27/01/823022701.db2.gz SVWAUCSXHOBWNE-WFASDCNBSA-N 1 0 398.347 4.195 20 0 GIADRO Cc1ccccc1OCCCC(=O)Nc1ccc(C[NH2+]Cc2cc[nH]c2)cc1 ZINC000175698368 823022784 /nfs/dbraw/zinc/02/27/84/823022784.db2.gz IXKRFBMIHOQZRD-UHFFFAOYSA-N 1 0 377.488 4.411 20 0 GIADRO O=C1CCCN1[C@H]1CCC[C@@H]([NH2+]Cc2cc3cc(Br)ccc3o2)C1 ZINC000570291961 823023132 /nfs/dbraw/zinc/02/31/32/823023132.db2.gz GTDMZOCEZLNSCP-CVEARBPZSA-N 1 0 391.309 4.219 20 0 GIADRO COc1ccc([C@H](C)CC(=O)Nc2ccc(N(C)C3CC[NH+](C)CC3)cc2)cc1 ZINC000175703520 823023690 /nfs/dbraw/zinc/02/36/90/823023690.db2.gz LQPXAIKCVYXFDJ-GOSISDBHSA-N 1 0 395.547 4.358 20 0 GIADRO C/C=C/c1ccc(OC[C@H](O)C[NH2+]Cc2cc3ccccc3s2)c(OC)c1 ZINC000570303402 823024011 /nfs/dbraw/zinc/02/40/11/823024011.db2.gz WILHNJKEKLMKEC-HNSSHINMSA-N 1 0 383.513 4.473 20 0 GIADRO CC(C)CC(=O)Nc1ccc(C(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)cc1F ZINC000187200645 823024040 /nfs/dbraw/zinc/02/40/40/823024040.db2.gz WYKQBLWNJHYBSQ-KSFYIVLOSA-N 1 0 399.510 4.232 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH2+][C@H](C)Cc1ccc(OC)c(OC)c1 ZINC000187222689 823026997 /nfs/dbraw/zinc/02/69/97/823026997.db2.gz QJCPCBVYYMETFS-QGZVFWFLSA-N 1 0 392.499 4.495 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)N1CCC(OCC2CCCC2)CC1)c1ccco1 ZINC000175723723 823027143 /nfs/dbraw/zinc/02/71/43/823027143.db2.gz LZUDEBXIRMKJOP-FQEVSTJZSA-N 1 0 391.556 4.043 20 0 GIADRO CCC(=O)Nc1ccc(NC(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)cc1 ZINC000175726053 823027587 /nfs/dbraw/zinc/02/75/87/823027587.db2.gz QAFONNAFFCBWSN-QGZVFWFLSA-N 1 0 382.508 4.067 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)N2CCC(OCC3CCCC3)CC2)c1 ZINC000175731146 823028306 /nfs/dbraw/zinc/02/83/06/823028306.db2.gz FOGIJTYPEJAFNY-UHFFFAOYSA-N 1 0 387.568 4.019 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH2+]CCc1nc2c(cccc2F)n1C ZINC000187239707 823029172 /nfs/dbraw/zinc/02/91/72/823029172.db2.gz RAJLNPDRYJLUNM-UHFFFAOYSA-N 1 0 390.462 4.115 20 0 GIADRO COc1ccc(Br)cc1C[NH2+][C@H](c1ccccc1)C(C)(C)CO ZINC000570365546 823029562 /nfs/dbraw/zinc/02/95/62/823029562.db2.gz NUCZQKVPXLSWJX-GOSISDBHSA-N 1 0 378.310 4.307 20 0 GIADRO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1CC1=Cc2cc(Br)ccc2OC1 ZINC000570365684 823029626 /nfs/dbraw/zinc/02/96/26/823029626.db2.gz PHGBOIISECXICV-QGZVFWFLSA-N 1 0 388.309 4.402 20 0 GIADRO CC(C)c1nc2ccc(NC(=O)[C@@H]([NH2+]C3CCOCC3)C(C)C)cc2s1 ZINC000175741078 823030152 /nfs/dbraw/zinc/03/01/52/823030152.db2.gz IMNQSHYOASYHRU-SFHVURJKSA-N 1 0 375.538 4.151 20 0 GIADRO COc1c(Br)cccc1C[NH2+]C[C@H](O)c1cccc(OC(C)C)c1 ZINC000187247893 823030184 /nfs/dbraw/zinc/03/01/84/823030184.db2.gz GBGSYSALOXPEPD-SFHVURJKSA-N 1 0 394.309 4.068 20 0 GIADRO C[C@H](Oc1cccnc1NC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2)c1ccccc1 ZINC000570372254 823030690 /nfs/dbraw/zinc/03/06/90/823030690.db2.gz IDUXWROFMDQKMK-MBSDFSHPSA-N 1 0 394.519 4.171 20 0 GIADRO CC(C)Oc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccccn2)c(Cl)c1 ZINC000187251796 823030852 /nfs/dbraw/zinc/03/08/52/823030852.db2.gz QDXLJANSCCUOJF-UHFFFAOYSA-N 1 0 390.915 4.118 20 0 GIADRO Cc1ccc(C(C)(C)NC(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000570376001 823031108 /nfs/dbraw/zinc/03/11/08/823031108.db2.gz UZSJBQJPYUCZFR-OAQYLSRUSA-N 1 0 394.563 4.227 20 0 GIADRO Cc1cccnc1[C@H]([NH2+]C[C@@H](O)c1ccc(F)c(Br)c1)C(C)C ZINC000187258880 823031893 /nfs/dbraw/zinc/03/18/93/823031893.db2.gz FYASWLCAIAHFKF-IAGOWNOFSA-N 1 0 381.289 4.312 20 0 GIADRO Cc1ccc(-c2cnc(CCC(=O)N[C@H](C)[C@@H](c3ccccc3)[NH+](C)C)o2)cc1 ZINC000187261872 823032447 /nfs/dbraw/zinc/03/24/47/823032447.db2.gz PUTDNXBBRWVILP-KOSHJBKYSA-N 1 0 391.515 4.390 20 0 GIADRO Cc1ccccc1[C@@H](NC(=O)N1CCC(OCCC[NH+](C)C)CC1)C(C)(C)C ZINC000175759866 823033396 /nfs/dbraw/zinc/03/33/96/823033396.db2.gz GEPFUVHWNXZECA-OAQYLSRUSA-N 1 0 389.584 4.225 20 0 GIADRO CCC(CC)(CNC(=O)N[C@@H]1C[C@H](C)n2ccnc21)[NH2+][C@H](C)c1ccccc1 ZINC000458380600 823034531 /nfs/dbraw/zinc/03/45/31/823034531.db2.gz URHLILBNOSRFGO-YQVWRLOYSA-N 1 0 383.540 4.098 20 0 GIADRO COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]CCc2nc(C(F)(F)F)cs2)C1 ZINC000570415080 823034711 /nfs/dbraw/zinc/03/47/11/823034711.db2.gz ZRSVNZNRRSXEBO-CHWSQXEVSA-N 1 0 378.460 4.196 20 0 GIADRO C[C@@H](NC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)c1nc2c(s1)CCC2 ZINC000458383002 823034755 /nfs/dbraw/zinc/03/47/55/823034755.db2.gz YRKRIQQJXWKGLL-LSDHHAIUSA-N 1 0 386.565 4.121 20 0 GIADRO C[C@H](NC1CC[NH+](C2CCCCC2)CC1)c1ncc(Br)cc1F ZINC000187274537 823035088 /nfs/dbraw/zinc/03/50/88/823035088.db2.gz OJGOVMPPXGQUOL-ZDUSSCGKSA-N 1 0 384.337 4.431 20 0 GIADRO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1cc(C2CC2)nc2ccc(OC)cc21 ZINC000570423653 823035973 /nfs/dbraw/zinc/03/59/73/823035973.db2.gz PBJQFGPHEYFQTC-KRWDZBQOSA-N 1 0 381.520 4.067 20 0 GIADRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1cc(F)cc2c1OCOC2 ZINC000570423297 823036190 /nfs/dbraw/zinc/03/61/90/823036190.db2.gz UVRQWRYEHHOGGR-NRFANRHFSA-N 1 0 384.495 4.083 20 0 GIADRO C[C@@H]1[C@@H](NC(=O)N2CCCCC[C@H]2c2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC000570423219 823036240 /nfs/dbraw/zinc/03/62/40/823036240.db2.gz DGMRXOINMOKNKZ-OIBXWCBGSA-N 1 0 392.547 4.371 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(OCc3ccccc3F)cc2)CC[N@@H+]1C ZINC000175771441 823036563 /nfs/dbraw/zinc/03/65/63/823036563.db2.gz CVUGSWFJFLPPGK-APWZRJJASA-N 1 0 385.483 4.351 20 0 GIADRO Cc1ccccc1-n1cc(CNCc2ccccc2C[NH+]2CCCCCC2)nn1 ZINC000570428455 823036765 /nfs/dbraw/zinc/03/67/65/823036765.db2.gz WXMXKLBXSNWGPC-UHFFFAOYSA-N 1 0 389.547 4.242 20 0 GIADRO Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)C1CC[NH+](CC(C)C)CC1 ZINC000055753456 823037551 /nfs/dbraw/zinc/03/75/51/823037551.db2.gz PVNAEBRFKIHNAE-UHFFFAOYSA-N 1 0 399.579 4.174 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@@H]2C2CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000458411144 823037632 /nfs/dbraw/zinc/03/76/32/823037632.db2.gz ZAHVVOWZVKLREN-BHIYHBOVSA-N 1 0 395.469 4.282 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)C2(c3cc(C(F)(F)F)ccc3Cl)CC2)CC[N@@H+]1C ZINC000187299055 823039280 /nfs/dbraw/zinc/03/92/80/823039280.db2.gz NIMOBAFOBZEBJD-JSGCOSHPSA-N 1 0 388.861 4.332 20 0 GIADRO C[C@@H](O)C[C@@H](C[NH2+][C@@H](C)c1ncc(Br)cc1F)c1ccccc1 ZINC000187302583 823039868 /nfs/dbraw/zinc/03/98/68/823039868.db2.gz LYMSCUVKZBUIHB-IPYPFGDCSA-N 1 0 381.289 4.189 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)N2CC(C)(C)[C@@H]2c2ccncc2)[C@H]1c1cccs1 ZINC000458436831 823040299 /nfs/dbraw/zinc/04/02/99/823040299.db2.gz RNNKXLOYFGGVKN-HOJAQTOUSA-N 1 0 398.576 4.319 20 0 GIADRO Cc1ccccc1CCN(C)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000458440098 823040452 /nfs/dbraw/zinc/04/04/52/823040452.db2.gz USMKYCXGMCFWFO-CTNGQTDRSA-N 1 0 385.577 4.324 20 0 GIADRO CN1c2ccc(CNc3ccc(OCC[NH+]4CCCCC4)cc3)cc2CCC1=O ZINC000187307123 823040604 /nfs/dbraw/zinc/04/06/04/823040604.db2.gz YGDMTGYVIGDFSC-UHFFFAOYSA-N 1 0 393.531 4.072 20 0 GIADRO CC(C)Cn1ncnc1C[NH2+][C@@H]1CCN(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000570458734 823040896 /nfs/dbraw/zinc/04/08/96/823040896.db2.gz AKCFRDDBXFNBLZ-UYAOXDASSA-N 1 0 393.938 4.040 20 0 GIADRO Cc1cccc([C@H](C)CNC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000458442748 823041012 /nfs/dbraw/zinc/04/10/12/823041012.db2.gz ZESLVQVPPCTUHG-MRXNPFEDSA-N 1 0 385.474 4.157 20 0 GIADRO CCOC(C)(C)CNC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000187310875 823041257 /nfs/dbraw/zinc/04/12/57/823041257.db2.gz OBMWLKAQJYLWLL-UHFFFAOYSA-N 1 0 383.536 4.030 20 0 GIADRO CC(C)[NH+](CCCNC(=O)Nc1cccc(NC(=O)c2ccoc2)c1)C(C)C ZINC000175795186 823042037 /nfs/dbraw/zinc/04/20/37/823042037.db2.gz PTGZSIORYIWTAD-UHFFFAOYSA-N 1 0 386.496 4.162 20 0 GIADRO CC1(C(=O)Oc2ccc3ccc(=O)oc3c2)CC[NH+](Cc2ccccc2)CC1 ZINC000187318038 823042727 /nfs/dbraw/zinc/04/27/27/823042727.db2.gz NOTCCCXZXZASDB-UHFFFAOYSA-N 1 0 377.440 4.001 20 0 GIADRO COc1ccccc1C[C@@H]1CCCN1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000060563716 823542661 /nfs/dbraw/zinc/54/26/61/823542661.db2.gz JYAKJLODQFXJNC-VXKWHMMOSA-N 1 0 395.547 4.023 20 0 GIADRO CC(C)(C)c1ccc([C@H]2CCCN2C(=O)C[N@H+](C[C@@H]2CCOC2)C2CC2)cc1 ZINC000123814914 823542780 /nfs/dbraw/zinc/54/27/80/823542780.db2.gz JTROFDJDLCOGOU-PGRDOPGGSA-N 1 0 384.564 4.149 20 0 GIADRO C[C@H]1CC[C@@H]([NH2+]Cc2ccc(S(=O)(=O)N3CCCC3)cc2)c2ccccc21 ZINC000177896577 823543321 /nfs/dbraw/zinc/54/33/21/823543321.db2.gz YIOWVGBPLUCATQ-HTAPYJJXSA-N 1 0 384.545 4.199 20 0 GIADRO COc1ccccc1/C=C(/C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000123833543 823544103 /nfs/dbraw/zinc/54/41/03/823544103.db2.gz HTXSRKFUGWKJCX-BWAWGCSNSA-N 1 0 378.516 4.177 20 0 GIADRO COc1ccc(C(C)(C)CNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000060576961 823544178 /nfs/dbraw/zinc/54/41/78/823544178.db2.gz ZSQQPHPSIMTSJD-UHFFFAOYSA-N 1 0 395.547 4.068 20 0 GIADRO C[C@@H]([NH2+]CCOc1ccc(C(F)(F)F)cc1)c1cccc(N2CCOC2=O)c1 ZINC000177903099 823544241 /nfs/dbraw/zinc/54/42/41/823544241.db2.gz RITZDMVNBHXFOL-CQSZACIVSA-N 1 0 394.393 4.392 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@@H](C)Cc2ccccc2C)ccc1S(=O)(=O)C(F)F ZINC000177907254 823544535 /nfs/dbraw/zinc/54/45/35/823544535.db2.gz PTTCLFJDNKDNGY-LSDHHAIUSA-N 1 0 397.487 4.282 20 0 GIADRO C[NH+](C)CCN(CCCc1ccccc1)C(=O)[C@H]1CCSc2ccccc21 ZINC000460930768 823544804 /nfs/dbraw/zinc/54/48/04/823544804.db2.gz SJPQHXURPZSGKK-NRFANRHFSA-N 1 0 382.573 4.289 20 0 GIADRO O=C([C@H]1CCC(=O)c2cccn21)N(CCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000411100109 823545823 /nfs/dbraw/zinc/54/58/23/823545823.db2.gz ILCQQXASNCAYMA-HXUWFJFHSA-N 1 0 399.922 4.178 20 0 GIADRO O=C(c1ccc2nccn2c1)N(CCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000411101058 823545965 /nfs/dbraw/zinc/54/59/65/823545965.db2.gz KCXSCKXHACGRSZ-UHFFFAOYSA-N 1 0 382.895 4.120 20 0 GIADRO CCc1nnc(C)cc1C(=O)N(CCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000411100756 823546031 /nfs/dbraw/zinc/54/60/31/823546031.db2.gz JLNNVORWQBMOEP-UHFFFAOYSA-N 1 0 386.927 4.134 20 0 GIADRO COCc1nc(C(=O)N(CCC[NH+]2CCCC2)c2ccc(Cl)cc2)cs1 ZINC000411101940 823546172 /nfs/dbraw/zinc/54/61/72/823546172.db2.gz MRIOWZBKDZJJHF-UHFFFAOYSA-N 1 0 393.940 4.076 20 0 GIADRO Cn1nc(C(=O)N(CCC[NH+]2CCCC2)c2ccc(Cl)cc2)cc1C1CC1 ZINC000411101677 823546196 /nfs/dbraw/zinc/54/61/96/823546196.db2.gz LQALBKIQKFFOMW-UHFFFAOYSA-N 1 0 386.927 4.084 20 0 GIADRO O=C(c1cc2n(n1)CCCC2)N(CCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000411105016 823547112 /nfs/dbraw/zinc/54/71/12/823547112.db2.gz VQIGHUZJMRPXFC-UHFFFAOYSA-N 1 0 386.927 4.006 20 0 GIADRO Cc1ccc(C)c([C@@H]2CCCN2C(=O)NC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000177925838 823547169 /nfs/dbraw/zinc/54/71/69/823547169.db2.gz CACYHWPUYQQMEU-QHCPKHFHSA-N 1 0 392.547 4.210 20 0 GIADRO C[N@@H+]1CC[C@H](CNC(=O)c2ccc(F)c(F)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123863851 823547368 /nfs/dbraw/zinc/54/73/68/823547368.db2.gz LFIPMUXEZRSGHW-ACJLOTCBSA-N 1 0 382.813 4.180 20 0 GIADRO C[C@@H]1C[C@@H](N(C)CC(=O)Nc2ccccc2Sc2ccccc2)CC[N@@H+]1C ZINC000123866968 823547573 /nfs/dbraw/zinc/54/75/73/823547573.db2.gz AQURTBCAWUNAHE-MSOLQXFVSA-N 1 0 383.561 4.191 20 0 GIADRO COc1ccc(Cl)cc1[C@H](C)[NH2+]Cc1ccc(Cn2ccccc2=O)cc1 ZINC000177932143 823547779 /nfs/dbraw/zinc/54/77/79/823547779.db2.gz YCWIFKSHSFSPSZ-INIZCTEOSA-N 1 0 382.891 4.409 20 0 GIADRO COc1cc([C@@H](C)[NH2+]Cc2ccc(Cn3ccnc3)cc2)ccc1OC(F)F ZINC000177933695 823547869 /nfs/dbraw/zinc/54/78/69/823547869.db2.gz VYCRCZRYLLOHPF-OAHLLOKOSA-N 1 0 387.430 4.392 20 0 GIADRO Cc1cc(C(=O)N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)ccc1NC(=O)CC(C)C ZINC000460945541 823548065 /nfs/dbraw/zinc/54/80/65/823548065.db2.gz AZBKNVIDCHPMIB-SBHAEUEKSA-N 1 0 399.579 4.457 20 0 GIADRO C[C@@H]1C[C@H](CCNC(=O)N2CC3(CCC3)[C@@H]2C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000460948011 823548501 /nfs/dbraw/zinc/54/85/01/823548501.db2.gz IJPCKVOGTRAWBB-CBQOVEMMSA-N 1 0 381.564 4.261 20 0 GIADRO Cc1ccc(Br)cc1C(=O)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000460949654 823549048 /nfs/dbraw/zinc/54/90/48/823549048.db2.gz NGEICTSBWFPKIR-UXLLHSPISA-N 1 0 379.342 4.235 20 0 GIADRO Cn1c(CC[NH2+]Cc2csc(-c3ccc(F)cc3)n2)nc2cc(F)ccc21 ZINC000123884813 823549224 /nfs/dbraw/zinc/54/92/24/823549224.db2.gz XLQOVEPRROBZCX-UHFFFAOYSA-N 1 0 384.455 4.307 20 0 GIADRO CC[NH+](CC)CC1CCN(C(=O)c2ccc(NC(=O)CC(C)C)c(F)c2)CC1 ZINC000460956586 823550307 /nfs/dbraw/zinc/55/03/07/823550307.db2.gz CAYRQPSKUBQHRI-UHFFFAOYSA-N 1 0 391.531 4.004 20 0 GIADRO CC1CC[NH+](C2CCC(NC(=O)NC[C@H]3CC[C@H](c4ccccc4)O3)CC2)CC1 ZINC000460956732 823550344 /nfs/dbraw/zinc/55/03/44/823550344.db2.gz IRMITQDGRWTJDN-BWWMBTDCSA-N 1 0 399.579 4.249 20 0 GIADRO C[N@@H+]1CC[C@@H](CNC(=O)Cc2ccc(F)c(F)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123918708 823551572 /nfs/dbraw/zinc/55/15/72/823551572.db2.gz OGNXVTPGGIZBTM-XOBRGWDASA-N 1 0 396.840 4.109 20 0 GIADRO O=C(C[C@H](c1ccc(O)cc1)C1CC1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000411150900 823551845 /nfs/dbraw/zinc/55/18/45/823551845.db2.gz YGKFFZSWJMEGIQ-LEWJYISDSA-N 1 0 382.504 4.212 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)N(C[C@H]1CCOC1)C1CC1)C1CCCCC1 ZINC000123923340 823552026 /nfs/dbraw/zinc/55/20/26/823552026.db2.gz FNGTVVICERXUNQ-GOSISDBHSA-N 1 0 385.552 4.484 20 0 GIADRO O=C(C[C@H](c1ccc(O)cc1)C1CC1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000411155911 823552501 /nfs/dbraw/zinc/55/25/01/823552501.db2.gz IMTPUYOSQASOKM-GOTSBHOMSA-N 1 0 378.516 4.229 20 0 GIADRO CS(=O)(=O)c1cccc([C@@H]([NH2+]C[C@H]2CC=CCC2)c2ccc(F)c(F)c2)c1 ZINC000123931143 823552591 /nfs/dbraw/zinc/55/25/91/823552591.db2.gz RFELSYVJRZBUDF-YCRPNKLZSA-N 1 0 391.483 4.404 20 0 GIADRO CS(=O)(=O)c1cccc([C@H]([NH2+]C[C@H]2CC=CCC2)c2ccc(F)c(F)c2)c1 ZINC000123930877 823552605 /nfs/dbraw/zinc/55/26/05/823552605.db2.gz RFELSYVJRZBUDF-BTYIYWSLSA-N 1 0 391.483 4.404 20 0 GIADRO CS(=O)(=O)c1cccc([C@@H]([NH2+]C[C@H]2CC=CCC2)c2cc(F)ccc2F)c1 ZINC000123932505 823552776 /nfs/dbraw/zinc/55/27/76/823552776.db2.gz SNNMSYOGQPPSJI-YCRPNKLZSA-N 1 0 391.483 4.404 20 0 GIADRO CC(=O)c1ccc(C(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000123940836 823553701 /nfs/dbraw/zinc/55/37/01/823553701.db2.gz PDDLROMGPYDZID-YLJYHZDGSA-N 1 0 388.870 4.105 20 0 GIADRO CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)[N@H+](C)CCCc2ccccc2)c1 ZINC000123949599 823554290 /nfs/dbraw/zinc/55/42/90/823554290.db2.gz DUAQVDHWSJGLKD-LJQANCHMSA-N 1 0 395.547 4.060 20 0 GIADRO Cc1ccc(CNC(=O)C2CC[NH+]([C@@H]3C[C@H]3c3cccc(F)c3)CC2)cc1F ZINC000411178853 823554853 /nfs/dbraw/zinc/55/48/53/823554853.db2.gz ZDLZORSZZARLOL-RBBKRZOGSA-N 1 0 384.470 4.158 20 0 GIADRO CCc1oc2ccccc2c1CN(C)C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000411181090 823555059 /nfs/dbraw/zinc/55/50/59/823555059.db2.gz DONSIJFPKWFXCG-KRWDZBQOSA-N 1 0 386.561 4.171 20 0 GIADRO CSC1(CNC(=O)c2cccc(N[C@@H](C)C(C)C)c2C)CC[NH+](C)CC1 ZINC000460980619 823555102 /nfs/dbraw/zinc/55/51/02/823555102.db2.gz OQFIGHZAIMOMSS-KRWDZBQOSA-N 1 0 377.598 4.009 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C1(c2ccccc2Br)CC1 ZINC000190248564 823555710 /nfs/dbraw/zinc/55/57/10/823555710.db2.gz UCRFWSVUODKPFS-INIZCTEOSA-N 1 0 393.369 4.252 20 0 GIADRO COc1ccc(OC(F)F)c(C[NH2+]CCc2nc(-c3ccccn3)cs2)c1 ZINC000123963446 823555744 /nfs/dbraw/zinc/55/57/44/823555744.db2.gz ZKAQFAJVRMTRSC-UHFFFAOYSA-N 1 0 391.443 4.147 20 0 GIADRO Cc1cc(C[NH2+]C[C@@H](O)c2c(F)cccc2F)cc(C)c1OCc1ccccn1 ZINC000123963969 823556024 /nfs/dbraw/zinc/55/60/24/823556024.db2.gz JHWFDMAZBCYJCQ-OAQYLSRUSA-N 1 0 398.453 4.379 20 0 GIADRO CC[NH+](CC)C[C@H](C)NC(=O)c1cn(C(C)(C)C)nc1-c1ccc(F)cc1F ZINC000460990320 823556325 /nfs/dbraw/zinc/55/63/25/823556325.db2.gz PWONRFAIRKEBRF-AWEZNQCLSA-N 1 0 392.494 4.043 20 0 GIADRO CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000411198898 823556531 /nfs/dbraw/zinc/55/65/31/823556531.db2.gz MQGVUGZBBKRPTE-UHFFFAOYSA-N 1 0 388.515 4.130 20 0 GIADRO CCSc1cc(Cl)ccc1C(=O)N1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000461001684 823557549 /nfs/dbraw/zinc/55/75/49/823557549.db2.gz RFIYFHWGLXKYHO-INIZCTEOSA-N 1 0 384.973 4.025 20 0 GIADRO CC[C@H](C)[NH2+][C@H](CNC(=O)N(C)[C@H]1CC[C@@H](C(F)(F)F)CC1)c1ccco1 ZINC000461005841 823558105 /nfs/dbraw/zinc/55/81/05/823558105.db2.gz LLTLPIKHBRWHAR-CAOSSQGBSA-N 1 0 389.462 4.471 20 0 GIADRO CCOc1cc(C[NH2+]C2CCC(O)CC2)ccc1OCCOc1ccc(C)cc1 ZINC000060815594 823559337 /nfs/dbraw/zinc/55/93/37/823559337.db2.gz BCMDXGOEGICQBX-UHFFFAOYSA-N 1 0 399.531 4.245 20 0 GIADRO COc1ccc2[nH]cc(C3=CC[N@H+](CC4CCC5(CC4)OCCO5)CC3)c2c1 ZINC000190290830 823559654 /nfs/dbraw/zinc/55/96/54/823559654.db2.gz ZMXRERYJIPFXJD-UHFFFAOYSA-N 1 0 382.504 4.199 20 0 GIADRO C[C@@H](C(=O)N[C@H](c1ccccc1)c1ccc2[nH]cnc2c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000411244696 823559889 /nfs/dbraw/zinc/55/98/89/823559889.db2.gz ILXAPMQTKOFYIG-DVSDUFGPSA-N 1 0 376.504 4.030 20 0 GIADRO CC(C)c1noc2nc(-c3ccco3)cc(C(=O)N(C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)c21 ZINC000124017892 823560340 /nfs/dbraw/zinc/56/03/40/823560340.db2.gz PQYCOFZGMPZHIE-LSDHHAIUSA-N 1 0 396.491 4.161 20 0 GIADRO CCOc1cccc(C[NH2+]C[C@H](c2ccco2)N2CCCC2)c1OC(F)F ZINC000060829505 823560583 /nfs/dbraw/zinc/56/05/83/823560583.db2.gz XBXSOGJHRXBWBZ-MRXNPFEDSA-N 1 0 380.435 4.206 20 0 GIADRO Cc1cc(NC(=O)C(=O)N[C@H](c2cccc(F)c2)C(C)(C)C)ccc1C[NH+](C)C ZINC000411287475 823562397 /nfs/dbraw/zinc/56/23/97/823562397.db2.gz AZPROORKOAJDKR-HXUWFJFHSA-N 1 0 399.510 4.038 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)C2CC[NH+](Cc3cccc(C)c3C)CC2)c1 ZINC000124052568 823563282 /nfs/dbraw/zinc/56/32/82/823563282.db2.gz WPWIWAFGGSRARV-UHFFFAOYSA-N 1 0 379.504 4.113 20 0 GIADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C[C@@H](C)c2ccc(Br)cc2)C1 ZINC000124056444 823563661 /nfs/dbraw/zinc/56/36/61/823563661.db2.gz PTXVFWZSXNLPCL-HZPDHXFCSA-N 1 0 381.358 4.037 20 0 GIADRO C[C@@H]1C[C@H](N(C)Cc2c(Cl)nc(Cl)n2C)CC[N@@H+]1Cc1ccccc1 ZINC000124061747 823564222 /nfs/dbraw/zinc/56/42/22/823564222.db2.gz BPLDFSBGJYBOOR-GDBMZVCRSA-N 1 0 381.351 4.212 20 0 GIADRO CC(C)(C)C[C@H]1CCC[N@@H+]1CC(=O)Nc1cc2c(cc1Cl)OCCCO2 ZINC000060877270 823564323 /nfs/dbraw/zinc/56/43/23/823564323.db2.gz RLFRTVXVQJWKQC-CQSZACIVSA-N 1 0 380.916 4.340 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)NC(=O)c2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000411319448 823564507 /nfs/dbraw/zinc/56/45/07/823564507.db2.gz FNTNJRPLTZVJTG-QGZVFWFLSA-N 1 0 379.504 4.122 20 0 GIADRO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc(-c3ncco3)cc2F)C1)c1ccccc1 ZINC000411338928 823565179 /nfs/dbraw/zinc/56/51/79/823565179.db2.gz XUAGYGVFEBUOGP-KRWDZBQOSA-N 1 0 393.462 4.123 20 0 GIADRO CCOC(=O)c1csc(CC[NH2+]Cc2cc(C(F)(F)F)ccc2Cl)n1 ZINC000190346276 823565159 /nfs/dbraw/zinc/56/51/59/823565159.db2.gz QARNAQFSILHNSO-UHFFFAOYSA-N 1 0 392.830 4.324 20 0 GIADRO O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)c1ccc(C(F)(F)F)c(F)c1 ZINC000190355232 823565756 /nfs/dbraw/zinc/56/57/56/823565756.db2.gz BZBLRGMPAVEVLK-UHFFFAOYSA-N 1 0 396.384 4.054 20 0 GIADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1cc(NC(=O)CC(C)(C)C)ccc1Cl ZINC000461050776 823565864 /nfs/dbraw/zinc/56/58/64/823565864.db2.gz UJUKSESQKMUDPA-HNNXBMFYSA-N 1 0 393.959 4.129 20 0 GIADRO Cc1cc(C[NH+]2CCC(C(=O)N3CCc4ccccc43)CC2)c2ccccc2n1 ZINC000124087665 823566454 /nfs/dbraw/zinc/56/64/54/823566454.db2.gz QQVAPQHSUFDQAP-UHFFFAOYSA-N 1 0 385.511 4.345 20 0 GIADRO COc1cc(NC(=O)CC[NH2+][C@@H](c2ccccc2)C2CCC2)cc(OC)c1OC ZINC000411365552 823566715 /nfs/dbraw/zinc/56/67/15/823566715.db2.gz NWMFIZJLBWLMQE-QFIPXVFZSA-N 1 0 398.503 4.172 20 0 GIADRO O=C(Nc1ccc(F)cc1)C1CC[NH+](Cc2ccc(-c3ncco3)cc2F)CC1 ZINC000411368078 823566725 /nfs/dbraw/zinc/56/67/25/823566725.db2.gz UFEWMBXJPPJNSA-UHFFFAOYSA-N 1 0 397.425 4.471 20 0 GIADRO COc1cccc(NC(=O)[C@@H]([NH2+]CCCOC2CCCC2)c2ccccc2)c1 ZINC000060926271 823567206 /nfs/dbraw/zinc/56/72/06/823567206.db2.gz QQDPHFUTQGCNSM-QFIPXVFZSA-N 1 0 382.504 4.314 20 0 GIADRO Cc1ccc(NC(=O)[C@H](C)Nc2ccc(CC[NH+]3CCSCC3)cc2)cc1C ZINC000060926428 823567269 /nfs/dbraw/zinc/56/72/69/823567269.db2.gz HMYZCUDEHIOEHY-IBGZPJMESA-N 1 0 397.588 4.334 20 0 GIADRO COc1cc(OC)c([C@H](C)[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)cc1Cl ZINC000124115468 823568841 /nfs/dbraw/zinc/56/88/41/823568841.db2.gz VMYZCZVPGYUNFZ-DZGCQCFKSA-N 1 0 388.895 4.093 20 0 GIADRO COc1ccc(C(=O)Nc2cccc(C[NH2+]CCCOC3CCCC3)c2)cc1 ZINC000060951801 823568928 /nfs/dbraw/zinc/56/89/28/823568928.db2.gz APLSGRHHNMWYNX-UHFFFAOYSA-N 1 0 382.504 4.386 20 0 GIADRO CCOc1ccc([C@@H](C)NC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1OCC ZINC000060954462 823569097 /nfs/dbraw/zinc/56/90/97/823569097.db2.gz GSNXHSQDGMIEQU-XLIONFOSSA-N 1 0 399.535 4.147 20 0 GIADRO Cc1cc(NC(=O)[C@@H](C)c2ccc(F)c(F)c2)ccc1OCC[NH+]1CCCC1 ZINC000461067550 823569229 /nfs/dbraw/zinc/56/92/29/823569229.db2.gz PJJSPIJXBASELZ-INIZCTEOSA-N 1 0 388.458 4.490 20 0 GIADRO Cc1nc(C(C)(C)[NH2+]CCC(=O)Nc2cccc(Br)c2)sc1C ZINC000411391740 823569232 /nfs/dbraw/zinc/56/92/32/823569232.db2.gz TUPQPZKOWHVMBH-UHFFFAOYSA-N 1 0 396.354 4.376 20 0 GIADRO CN(Cc1cn(C)nc1C(F)(F)F)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411395928 823569900 /nfs/dbraw/zinc/56/99/00/823569900.db2.gz ITMCDPPWPVGVBQ-UHFFFAOYSA-N 1 0 380.458 4.057 20 0 GIADRO COc1ccc(C(=O)CCCCCC(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000190412438 823570357 /nfs/dbraw/zinc/57/03/57/823570357.db2.gz CPBLLQMYCYDFEH-UHFFFAOYSA-N 1 0 388.552 4.208 20 0 GIADRO CC(C)[N@H+](CCC(=O)Nc1ccccc1Br)CCc1nccs1 ZINC000411403271 823570595 /nfs/dbraw/zinc/57/05/95/823570595.db2.gz UDDAKFOSPCOZPS-UHFFFAOYSA-N 1 0 396.354 4.187 20 0 GIADRO CC1(C)C[C@@H](C(=O)NC2CC[NH+](CCc3ccccc3)CC2)c2ccccc2O1 ZINC000411402872 823570602 /nfs/dbraw/zinc/57/06/02/823570602.db2.gz VEIPRXIRHRSZKT-JOCHJYFZSA-N 1 0 392.543 4.155 20 0 GIADRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]CCC(=O)Nc1c(Cl)cccc1Cl ZINC000411407175 823571047 /nfs/dbraw/zinc/57/10/47/823571047.db2.gz KTTIUXIGFIGINN-SGTLLEGYSA-N 1 0 387.307 4.034 20 0 GIADRO CC(C)(C)[NH+]1CCC(NC(=O)CCC(=O)c2cc(Cl)sc2Cl)CC1 ZINC000124140971 823571206 /nfs/dbraw/zinc/57/12/06/823571206.db2.gz IIIFSSSBVXVEJP-UHFFFAOYSA-N 1 0 391.364 4.397 20 0 GIADRO CC1(C)Cc2cccc(C[N@@H+]3CCC[C@H](c4nnc5n4CCCCC5)C3)c2O1 ZINC000124141048 823571283 /nfs/dbraw/zinc/57/12/83/823571283.db2.gz CPTYAPAPQOKRGY-IBGZPJMESA-N 1 0 380.536 4.098 20 0 GIADRO Cc1ccc([C@@H](C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)N2CCCC2)o1 ZINC000124143940 823571591 /nfs/dbraw/zinc/57/15/91/823571591.db2.gz JJURNGDOOKSSNO-CTWPCTMYSA-N 1 0 376.541 4.215 20 0 GIADRO CC[C@@]1(C)Oc2ccc(NC(=O)NC[C@@H](c3cccs3)[NH+](C)C)cc2O1 ZINC000190422729 823571632 /nfs/dbraw/zinc/57/16/32/823571632.db2.gz AQRWUUZQCJQSNL-LIRRHRJNSA-N 1 0 375.494 4.070 20 0 GIADRO COC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(Br)cc2OC)cc1 ZINC000190425707 823571993 /nfs/dbraw/zinc/57/19/93/823571993.db2.gz MHNGEZCJFAVJPC-LBPRGKRZSA-N 1 0 378.266 4.095 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)N(Cc1c(F)cccc1F)C1CC1)c1cccs1 ZINC000190425882 823572011 /nfs/dbraw/zinc/57/20/11/823572011.db2.gz DVECTTISUOYPMA-KRWDZBQOSA-N 1 0 379.476 4.003 20 0 GIADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](c2ccn(C)n2)c2ccc(Cl)cc2)C[C@@H]1C ZINC000461079770 823572015 /nfs/dbraw/zinc/57/20/15/823572015.db2.gz GIWRQDXGARCDQV-FEUVXWNVSA-N 1 0 389.927 4.120 20 0 GIADRO CC[NH+](CC)CCN(C(=O)c1ncccc1C)c1cccc(C(F)(F)F)c1 ZINC000461079986 823572079 /nfs/dbraw/zinc/57/20/79/823572079.db2.gz ALIAYXQAUVAONF-UHFFFAOYSA-N 1 0 379.426 4.397 20 0 GIADRO C[C@H](c1ccccn1)[N@H+](C)CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000411421523 823572362 /nfs/dbraw/zinc/57/23/62/823572362.db2.gz MUUBYMRTWHSMRX-VGOFRKELSA-N 1 0 379.529 4.432 20 0 GIADRO C[C@H](CCc1ccc(Cl)s1)[NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1 ZINC000461081543 823572408 /nfs/dbraw/zinc/57/24/08/823572408.db2.gz MTGZBAQZCPJQSO-CQSZACIVSA-N 1 0 398.981 4.052 20 0 GIADRO C[NH+](C)CC(C)(C)CNCc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000061012144 823572663 /nfs/dbraw/zinc/57/26/63/823572663.db2.gz KRHZMYLVGSNQTQ-UHFFFAOYSA-N 1 0 382.577 4.337 20 0 GIADRO C[C@@H]1CCc2c(sc3nc(CC[N@@H+]4CCC[C@H]4c4cccnc4)nc(N)c23)C1 ZINC000411424184 823572737 /nfs/dbraw/zinc/57/27/37/823572737.db2.gz VZWFLDMTSNDKTI-PBHICJAKSA-N 1 0 393.560 4.173 20 0 GIADRO O=C(CC[N@H+](Cc1ccncc1)C1CC1)N[C@@H](c1cccs1)c1ccccc1 ZINC000411424482 823572801 /nfs/dbraw/zinc/57/28/01/823572801.db2.gz WJRKNAKHWKHYNN-HSZRJFAPSA-N 1 0 391.540 4.403 20 0 GIADRO Fc1ccc([C@@H](C[NH2+]Cc2cccc(Cl)c2Cl)N2CCOCC2)cc1 ZINC000061013031 823572805 /nfs/dbraw/zinc/57/28/05/823572805.db2.gz AMKXIYBMHGDKKB-GOSISDBHSA-N 1 0 383.294 4.296 20 0 GIADRO Cc1ccc(OCC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)cc1 ZINC000061012843 823572934 /nfs/dbraw/zinc/57/29/34/823572934.db2.gz JOQYMFNOACPRMI-UHFFFAOYSA-N 1 0 384.483 4.411 20 0 GIADRO COc1cc(C[N@H+](CCC(=O)Nc2ccccc2SC)C2CC2)ccc1O ZINC000411425471 823572923 /nfs/dbraw/zinc/57/29/23/823572923.db2.gz RAMHLQOGHMVAHH-UHFFFAOYSA-N 1 0 386.517 4.116 20 0 GIADRO CN(c1ccc(NC(=O)c2c[nH]c3cccc(F)c23)cc1)C1CC[NH+](C)CC1 ZINC000124159625 823573096 /nfs/dbraw/zinc/57/30/96/823573096.db2.gz PGZBXRWVBZJRGD-UHFFFAOYSA-N 1 0 380.467 4.090 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1ccccc1C(C)(C)C ZINC000461084703 823573333 /nfs/dbraw/zinc/57/33/33/823573333.db2.gz TWJQXOMCCSCTPO-KRWDZBQOSA-N 1 0 386.561 4.375 20 0 GIADRO CC[C@H](c1ccncc1)[N@H+](C)CCC(=O)Nc1ccc(Br)cc1 ZINC000411431542 823573596 /nfs/dbraw/zinc/57/35/96/823573596.db2.gz TVMJAXNBGQKSPC-QGZVFWFLSA-N 1 0 376.298 4.256 20 0 GIADRO CC(C)(CNC(=O)NCC1CC[NH+](Cc2cccs2)CC1)c1ccccc1 ZINC000061021730 823573645 /nfs/dbraw/zinc/57/36/45/823573645.db2.gz CTPNAOAGRLBTEV-UHFFFAOYSA-N 1 0 385.577 4.237 20 0 GIADRO O=C(NCc1cc2ccccc2o1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000061021185 823573653 /nfs/dbraw/zinc/57/36/53/823573653.db2.gz UOKLPDYSRFJJLK-UHFFFAOYSA-N 1 0 383.517 4.206 20 0 GIADRO O=S1(=O)CCCN1c1ccc(C[NH2+][C@@H]2CCCC[C@H]2c2ccccc2)cc1 ZINC000461085576 823573651 /nfs/dbraw/zinc/57/36/51/823573651.db2.gz HYEHUYKKJSAOFN-FCHUYYIVSA-N 1 0 384.545 4.043 20 0 GIADRO CC[NH+]1CCN(c2ccc(C(=O)Nc3cc(-c4ncco4)ccc3C)cc2)CC1 ZINC000124167583 823573941 /nfs/dbraw/zinc/57/39/41/823573941.db2.gz LPIQYDRERPRFQW-UHFFFAOYSA-N 1 0 390.487 4.044 20 0 GIADRO C[N@@H+]1CCCC12CCN(Cc1c(F)c(F)c(Br)c(F)c1F)CC2 ZINC000411437882 823574216 /nfs/dbraw/zinc/57/42/16/823574216.db2.gz ARBZLQHPXIKZOQ-UHFFFAOYSA-N 1 0 395.238 4.066 20 0 GIADRO CC[NH2+]Cc1ccccc1NC(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000124170635 823574371 /nfs/dbraw/zinc/57/43/71/823574371.db2.gz DQLYONCJUMRJDB-JKSUJKDBSA-N 1 0 378.394 4.437 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+]CCc2nc3ccccc3c(=O)[nH]2)cc1OCC ZINC000411443175 823574555 /nfs/dbraw/zinc/57/45/55/823574555.db2.gz XRSNWUFGUPRYHN-HNNXBMFYSA-N 1 0 381.476 4.026 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+]CCc2nc3ccccc3c(=O)[nH]2)cc1OCC ZINC000411443178 823574557 /nfs/dbraw/zinc/57/45/57/823574557.db2.gz XRSNWUFGUPRYHN-OAHLLOKOSA-N 1 0 381.476 4.026 20 0 GIADRO CCCOc1ccc([C@H](C)[NH2+]Cc2ccc(Br)cn2)cc1OC ZINC000411442758 823574574 /nfs/dbraw/zinc/57/45/74/823574574.db2.gz AUCCPXGCNTZJAN-ZDUSSCGKSA-N 1 0 379.298 4.492 20 0 GIADRO Cc1cccc(COc2ccc([C@@H](C)[NH2+][C@H](CCO)C3CCOCC3)cc2)c1 ZINC000461090534 823574942 /nfs/dbraw/zinc/57/49/42/823574942.db2.gz AKHAMMNPPQNIHI-NTKDMRAZSA-N 1 0 383.532 4.402 20 0 GIADRO Fc1ccc(N2CCC([NH2+]Cc3ncc(-c4ccccc4)cn3)CC2)c(F)c1 ZINC000461091969 823575210 /nfs/dbraw/zinc/57/52/10/823575210.db2.gz SQLZTUOGICIHOL-UHFFFAOYSA-N 1 0 380.442 4.180 20 0 GIADRO CCOc1ccc(NC(=O)CC[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1 ZINC000411454140 823576409 /nfs/dbraw/zinc/57/64/09/823576409.db2.gz RMKBHALLXBKASO-INIZCTEOSA-N 1 0 395.503 4.113 20 0 GIADRO CO[C@]1(C[NH2+][C@@H](c2ccccc2)c2ccc(Br)cc2F)CCOC1 ZINC000461097997 823576621 /nfs/dbraw/zinc/57/66/21/823576621.db2.gz HGKTYZMVEGSXDB-OALUTQOASA-N 1 0 394.284 4.073 20 0 GIADRO C[N@@H+]1CCCC12CCN(Cc1nc(=O)c3cc(-c4ccccc4)sc3[nH]1)CC2 ZINC000411456819 823576812 /nfs/dbraw/zinc/57/68/12/823576812.db2.gz ZUWSBVUXXPOPPC-UHFFFAOYSA-N 1 0 394.544 4.124 20 0 GIADRO CC[C@H]([NH2+]Cc1cnc2ccc(C)cc2c1)c1ccccc1OCC(=O)N(C)C ZINC000411458294 823576969 /nfs/dbraw/zinc/57/69/69/823576969.db2.gz XRYWGJGTBIUOIP-NRFANRHFSA-N 1 0 391.515 4.251 20 0 GIADRO O=C(CC[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1)N1CCc2ccccc21 ZINC000411458488 823577052 /nfs/dbraw/zinc/57/70/52/823577052.db2.gz OOGZBAADAZCKPQ-QGZVFWFLSA-N 1 0 380.385 4.388 20 0 GIADRO Cc1cn(-c2c(F)cccc2F)nc1C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000190456176 823577119 /nfs/dbraw/zinc/57/71/19/823577119.db2.gz NKXKHHPOVZHJLT-UHFFFAOYSA-N 1 0 396.441 4.307 20 0 GIADRO Fc1cccc(N2CCCC2)c1C[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000124205354 823577278 /nfs/dbraw/zinc/57/72/78/823577278.db2.gz WAIRSBLRMLZFLW-GOSISDBHSA-N 1 0 397.542 4.123 20 0 GIADRO CC(C)(C)n1ccnc1SCC(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000124206201 823577314 /nfs/dbraw/zinc/57/73/14/823577314.db2.gz UHXYLXVZBNFLHM-UHFFFAOYSA-N 1 0 386.565 4.355 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccnn2C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000190459161 823577392 /nfs/dbraw/zinc/57/73/92/823577392.db2.gz ZEKLIXDJHNEHBA-MJGOQNOKSA-N 1 0 383.540 4.155 20 0 GIADRO CSc1ccc(OC[C@@H](O)C[NH2+][C@H](CC(F)(F)F)c2ccccc2)cc1 ZINC000411461260 823577429 /nfs/dbraw/zinc/57/74/29/823577429.db2.gz SPMFWEZKEYPSIY-MAUKXSAKSA-N 1 0 385.451 4.432 20 0 GIADRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1F)c1ccc(OCC(F)(F)F)cc1 ZINC000411460093 823577431 /nfs/dbraw/zinc/57/74/31/823577431.db2.gz QTGPMROTSWMPGC-CYBMUJFWSA-N 1 0 384.373 4.446 20 0 GIADRO O=C(CC[NH2+]C1(c2ccccc2)CC1)Nc1ccc(Br)cc1F ZINC000411463168 823577600 /nfs/dbraw/zinc/57/76/00/823577600.db2.gz ZGFPBZPMVZBEAQ-UHFFFAOYSA-N 1 0 377.257 4.196 20 0 GIADRO O=C(CC[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1)NC(=O)Nc1ccccc1 ZINC000411461778 823577602 /nfs/dbraw/zinc/57/76/02/823577602.db2.gz TYYCSBKDYDMQTQ-INIZCTEOSA-N 1 0 397.372 4.147 20 0 GIADRO COc1ccc2oc(C[N@@H+]3CCC[C@@H](c4nnc5n4CCCCC5)C3)cc2c1 ZINC000124210481 823577625 /nfs/dbraw/zinc/57/76/25/823577625.db2.gz IZLIECGPRDZWDS-MRXNPFEDSA-N 1 0 380.492 4.139 20 0 GIADRO CC[C@H]([NH2+]CC(=O)N(CC)c1nc2ccccc2s1)c1ccc(OC)cc1 ZINC000124209920 823577637 /nfs/dbraw/zinc/57/76/37/823577637.db2.gz IMXAAYUCVPVWBM-KRWDZBQOSA-N 1 0 383.517 4.399 20 0 GIADRO COCCSc1ccc([C@H](C)[NH2+]CC(=O)N2CCC[C@H]3CCCC[C@H]32)cc1 ZINC000411464003 823577728 /nfs/dbraw/zinc/57/77/28/823577728.db2.gz MGBQLEUAIWEFFC-FBBABVLZSA-N 1 0 390.593 4.257 20 0 GIADRO COc1cc(NC(=O)CC[NH2+][C@@H](C)c2cc(C)cc(C)c2)cc(OC)c1OC ZINC000411463953 823577781 /nfs/dbraw/zinc/57/77/81/823577781.db2.gz LXWZKTZRZPICOT-INIZCTEOSA-N 1 0 386.492 4.009 20 0 GIADRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2cc(Oc3ccc(F)cc3)ccn2)C[C@H]1C ZINC000461103924 823578027 /nfs/dbraw/zinc/57/80/27/823578027.db2.gz QIADHAILCBNIIS-QLVMHMETSA-N 1 0 386.467 4.471 20 0 GIADRO CC[NH+](CC)CCN(C(=O)C1CC(F)(F)C1)c1cccc(C(F)(F)F)c1 ZINC000461103678 823578041 /nfs/dbraw/zinc/57/80/41/823578041.db2.gz ZVLXIAKIXBXBOA-UHFFFAOYSA-N 1 0 378.385 4.426 20 0 GIADRO CO[C@@]1(C[NH2+][C@@H](c2ccc(F)cc2)c2ccc(C(F)(F)F)cc2)CCOC1 ZINC000461105013 823578259 /nfs/dbraw/zinc/57/82/59/823578259.db2.gz YUPJXJOKGFSKIR-RTBURBONSA-N 1 0 383.385 4.329 20 0 GIADRO CO[C@]1(C[NH2+][C@H](c2ccc(F)cc2)c2ccc(C(F)(F)F)cc2)CCOC1 ZINC000461105011 823578283 /nfs/dbraw/zinc/57/82/83/823578283.db2.gz YUPJXJOKGFSKIR-OALUTQOASA-N 1 0 383.385 4.329 20 0 GIADRO COCCSc1ccc([C@@H](C)[NH2+]CCC(=O)N2CCc3ccccc32)cc1 ZINC000411467656 823578317 /nfs/dbraw/zinc/57/83/17/823578317.db2.gz YWKCNEKBUXSPAV-QGZVFWFLSA-N 1 0 384.545 4.055 20 0 GIADRO CCCCCCOc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000124218968 823578526 /nfs/dbraw/zinc/57/85/26/823578526.db2.gz ZBECVCFYPLUVIT-IEBWSBKVSA-N 1 0 376.541 4.209 20 0 GIADRO COc1cccc(F)c1[C@H](C)[NH2+]CCC(=O)Nc1ccccc1Br ZINC000411471049 823578685 /nfs/dbraw/zinc/57/86/85/823578685.db2.gz KAANOEJLJHTJMV-LBPRGKRZSA-N 1 0 395.272 4.276 20 0 GIADRO C[NH+](C)C1(CNC(=O)NCc2ccc(COCc3ccccc3)cc2)CCCC1 ZINC000061114808 823579041 /nfs/dbraw/zinc/57/90/41/823579041.db2.gz GFTFNCXKBIXQRV-UHFFFAOYSA-N 1 0 395.547 4.077 20 0 GIADRO C[S@](=O)C[C@@H]([NH2+]Cc1cc(Cl)cc(Br)c1)c1ccccc1 ZINC000411475057 823579126 /nfs/dbraw/zinc/57/91/26/823579126.db2.gz RWHRVFVFDLZNDD-IERDGZPVSA-N 1 0 386.742 4.312 20 0 GIADRO CCOc1ccc(NC(=O)CC[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)cc1 ZINC000411479742 823579676 /nfs/dbraw/zinc/57/96/76/823579676.db2.gz URPGIXYUUBKPGU-GCJKJVERSA-N 1 0 382.504 4.171 20 0 GIADRO COc1ccc([C@H]([NH2+][C@@H]2CCCCNC2=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000411482582 823580219 /nfs/dbraw/zinc/58/02/19/823580219.db2.gz CYGZKXWIXCDREF-RTBURBONSA-N 1 0 392.421 4.062 20 0 GIADRO CC(C)[C@H]([NH2+]CCC(=O)Nc1cccc2ccccc21)c1nnc2ccccn21 ZINC000411484664 823580412 /nfs/dbraw/zinc/58/04/12/823580412.db2.gz FEASEGARZIPKHD-QFIPXVFZSA-N 1 0 387.487 4.198 20 0 GIADRO O=c1nc(C[NH2+][C@@H](CCO)C2CCCCC2)[nH]c2scc(-c3ccccc3)c21 ZINC000411496445 823581508 /nfs/dbraw/zinc/58/15/08/823581508.db2.gz XNUKESQNBKKXET-SFHVURJKSA-N 1 0 397.544 4.485 20 0 GIADRO C[C@@H](N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1)c1noc(-c2ccccc2)n1 ZINC000124259443 823581679 /nfs/dbraw/zinc/58/16/79/823581679.db2.gz KWFQHEAEPGRXGX-DLBZAZTESA-N 1 0 380.492 4.089 20 0 GIADRO CCc1cnccc1[C@H](C)[NH2+]CCC(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000411506985 823582176 /nfs/dbraw/zinc/58/21/76/823582176.db2.gz RAVHLJKTQFVEJW-INIZCTEOSA-N 1 0 391.519 4.126 20 0 GIADRO CC[NH+](CC)CCOc1ccc(C(=O)N2C[C@@H](C)CN(C)c3ccccc32)cc1 ZINC000461126723 823582897 /nfs/dbraw/zinc/58/28/97/823582897.db2.gz JOJXEIBDCHANHO-IBGZPJMESA-N 1 0 395.547 4.140 20 0 GIADRO CC[C@@H]([NH2+]CCC(=O)Nc1cccc(F)c1)c1nc(C(F)(F)F)cs1 ZINC000411514207 823582928 /nfs/dbraw/zinc/58/29/28/823582928.db2.gz FZPIDXRJUNBAEJ-GFCCVEGCSA-N 1 0 375.391 4.371 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]CCc1nc(-c2ccccc2)no1 ZINC000411515729 823583230 /nfs/dbraw/zinc/58/32/30/823583230.db2.gz IIFPYKPKOIVWIY-LBPRGKRZSA-N 1 0 393.413 4.006 20 0 GIADRO COC[C@@H]([NH2+]CCC(=O)N[C@H](c1cccs1)c1ccccc1)c1ccc(C)o1 ZINC000411515743 823583242 /nfs/dbraw/zinc/58/32/42/823583242.db2.gz WFHJOICJLZGCCX-GCJKJVERSA-N 1 0 398.528 4.223 20 0 GIADRO CCc1ccc([C@@H](COC)[NH2+]CCc2nc(-c3cccc(Cl)c3)no2)o1 ZINC000411515280 823583275 /nfs/dbraw/zinc/58/32/75/823583275.db2.gz VGWAJCWNOAGJFX-MRXNPFEDSA-N 1 0 375.856 4.065 20 0 GIADRO CC[C@H]([NH2+]CCC(=O)Nc1c(Cl)cccc1Cl)c1c(C)nn(C)c1C ZINC000411518633 823583814 /nfs/dbraw/zinc/58/38/14/823583814.db2.gz PWJOSWMIPDMTTN-HNNXBMFYSA-N 1 0 383.323 4.413 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(NC(=O)[C@H]3C[C@@H]3C)cc2)cc1 ZINC000190532365 823583929 /nfs/dbraw/zinc/58/39/29/823583929.db2.gz QRESLQMFMXBSDA-KKSFZXQISA-N 1 0 379.504 4.375 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(NC(=O)[C@H]3C[C@H]3C)cc2)cc1 ZINC000190532402 823583961 /nfs/dbraw/zinc/58/39/61/823583961.db2.gz QRESLQMFMXBSDA-IERDGZPVSA-N 1 0 379.504 4.375 20 0 GIADRO Cc1cnc([C@@H]([NH2+]CCC(=O)Nc2cccc(Br)c2)C2CC2)s1 ZINC000411520815 823584168 /nfs/dbraw/zinc/58/41/68/823584168.db2.gz XCHVSZBSPHSIQW-INIZCTEOSA-N 1 0 394.338 4.284 20 0 GIADRO C[C@@H]1C[C@H](c2cccnc2)[N@H+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000411524013 823584558 /nfs/dbraw/zinc/58/45/58/823584558.db2.gz JMWZFRYYXSOCFQ-RDTXWAMCSA-N 1 0 388.309 4.256 20 0 GIADRO CS[C@@H]1CN([C@@H](C)c2nc3ccccc3n2C(F)F)C[C@@H]1[NH+]1CCCC1 ZINC000411525964 823584657 /nfs/dbraw/zinc/58/46/57/823584657.db2.gz NKKNHRCJNXYSLD-RRQGHBQHSA-N 1 0 380.508 4.004 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]CC(=O)N(C)Cc1ccco1 ZINC000411524469 823584702 /nfs/dbraw/zinc/58/47/02/823584702.db2.gz AWHWUATZDUDISM-HNNXBMFYSA-N 1 0 383.517 4.329 20 0 GIADRO O=C(c1cccc(C[NH+]2CCCCC2)c1)N1CCCN(c2ccccc2)CC1 ZINC000411531509 823585318 /nfs/dbraw/zinc/58/53/18/823585318.db2.gz XTHDYTCLNFECOT-UHFFFAOYSA-N 1 0 377.532 4.025 20 0 GIADRO COCC[C@H]([NH2+]CCC(=O)Nc1ccc(Br)cc1)c1ccc(C)o1 ZINC000411531494 823585404 /nfs/dbraw/zinc/58/54/04/823585404.db2.gz KNWNPEOMCJTHMP-INIZCTEOSA-N 1 0 395.297 4.047 20 0 GIADRO C[C@H](NCc1cccc(C[NH+]2CCCCC2)c1)c1noc(Cc2ccccc2)n1 ZINC000411533170 823585512 /nfs/dbraw/zinc/58/55/12/823585512.db2.gz AVEGHRCLUHRPGD-IBGZPJMESA-N 1 0 390.531 4.497 20 0 GIADRO CCOc1ccc(NC(=O)CC[NH2+][C@@H](C)c2cnn(Cc3ccccc3)c2)cc1 ZINC000411534043 823585557 /nfs/dbraw/zinc/58/55/57/823585557.db2.gz COCDLKKZGJTGCK-SFHVURJKSA-N 1 0 392.503 4.010 20 0 GIADRO Cc1cc(C(F)(F)F)ccc1CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000190553766 823585827 /nfs/dbraw/zinc/58/58/27/823585827.db2.gz JTQGNSQEWDJGLQ-SFHVURJKSA-N 1 0 383.458 4.174 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCCc2c(O)cccc21 ZINC000190558786 823586393 /nfs/dbraw/zinc/58/63/93/823586393.db2.gz SIAFTTQOIAEWCX-NFBKMPQASA-N 1 0 392.543 4.183 20 0 GIADRO O=C(NCCC[NH+]1CCCC1)c1ccccc1Nc1ccc(OC(F)F)cc1 ZINC000061238957 823586466 /nfs/dbraw/zinc/58/64/66/823586466.db2.gz IXOPJCVEEUFGLH-UHFFFAOYSA-N 1 0 389.446 4.247 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)C2(NC(=O)OC(C)(C)C)CC2)cc1 ZINC000124323074 823587254 /nfs/dbraw/zinc/58/72/54/823587254.db2.gz BFSNZSCPTDWPPA-INIZCTEOSA-N 1 0 387.524 4.057 20 0 GIADRO COC(=O)c1ccc(C)c(NC(=O)[C@H](C)[NH2+][C@H](C)c2cc3ccccc3o2)c1 ZINC000190571833 823587275 /nfs/dbraw/zinc/58/72/75/823587275.db2.gz WSFADGRPAWVFNB-CABCVRRESA-N 1 0 380.444 4.206 20 0 GIADRO NC(=O)Nc1ccc(C[NH2+][C@@H](c2ccc(Br)s2)C2CC2)cc1 ZINC000190579654 823588073 /nfs/dbraw/zinc/58/80/73/823588073.db2.gz FQQRZAPLNZUPIQ-OAHLLOKOSA-N 1 0 380.311 4.242 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CCOc2ccc(Br)cc2)c1 ZINC000124337651 823588312 /nfs/dbraw/zinc/58/83/12/823588312.db2.gz PIVHWZQIXJYZFG-CYBMUJFWSA-N 1 0 377.282 4.137 20 0 GIADRO COCc1c2ccccc2oc1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000061286597 823589713 /nfs/dbraw/zinc/58/97/13/823589713.db2.gz MTKNXOSSDLWIIQ-UHFFFAOYSA-N 1 0 396.512 4.380 20 0 GIADRO O=C(CSc1ccccc1F)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000061286588 823589725 /nfs/dbraw/zinc/58/97/25/823589725.db2.gz GLHNKELXADWRMF-UHFFFAOYSA-N 1 0 376.522 4.105 20 0 GIADRO O=C(COc1ccc2ccccc2c1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000061286705 823589746 /nfs/dbraw/zinc/58/97/46/823589746.db2.gz HGPPKXJIPAZVDX-UHFFFAOYSA-N 1 0 392.524 4.406 20 0 GIADRO CCOc1ccc(CCC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)cc1 ZINC000061287220 823589778 /nfs/dbraw/zinc/58/97/78/823589778.db2.gz DXLCIKDMXLEXPC-UHFFFAOYSA-N 1 0 398.572 4.248 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[NH2+][C@@H](CC(F)(F)F)C(C)C ZINC000411602390 823589903 /nfs/dbraw/zinc/58/99/03/823589903.db2.gz CAWVBCRCIWJZMF-KRWDZBQOSA-N 1 0 396.457 4.384 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)c1ccc(-n2cccc2)cc1 ZINC000061288745 823590035 /nfs/dbraw/zinc/59/00/35/823590035.db2.gz IJMAGUSUOGSVQT-UHFFFAOYSA-N 1 0 391.540 4.321 20 0 GIADRO CCC(=O)Nc1cccc(C(=O)N(C)C2CC[NH+](C3CCC(C)CC3)CC2)c1 ZINC000061290878 823590174 /nfs/dbraw/zinc/59/01/74/823590174.db2.gz ORCMUMXEVWRSHQ-UHFFFAOYSA-N 1 0 385.552 4.150 20 0 GIADRO COc1cc(CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)ccc1C ZINC000061308027 823590973 /nfs/dbraw/zinc/59/09/73/823590973.db2.gz RZKLFKURSYNUNZ-UHFFFAOYSA-N 1 0 384.545 4.042 20 0 GIADRO CN(Cc1ccco1)C(=O)C[NH2+][C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000411618387 823591260 /nfs/dbraw/zinc/59/12/60/823591260.db2.gz UWYIEPLFTNDCNE-ZWKOTPCHSA-N 1 0 380.410 4.183 20 0 GIADRO OCCOc1ccccc1C[NH2+][C@@H](c1ccc(Br)s1)C1CC1 ZINC000190610564 823591395 /nfs/dbraw/zinc/59/13/95/823591395.db2.gz USVQIVUGDLDGGP-QGZVFWFLSA-N 1 0 382.323 4.123 20 0 GIADRO CCCOC(=O)c1ccc(NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000061331767 823591839 /nfs/dbraw/zinc/59/18/39/823591839.db2.gz QNVZIAVAUDRWPT-UHFFFAOYSA-N 1 0 395.503 4.171 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@H](c1ccccc1)C(C)(C)CO ZINC000411635266 823592764 /nfs/dbraw/zinc/59/27/64/823592764.db2.gz BKXXYCCVCYUINF-HXUWFJFHSA-N 1 0 390.911 4.027 20 0 GIADRO O=C(CC[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)Nc1cccc(F)c1 ZINC000411643382 823593204 /nfs/dbraw/zinc/59/32/04/823593204.db2.gz IWTMPOKDWZEKHC-HKUYNNGSSA-N 1 0 380.822 4.067 20 0 GIADRO COc1ccc(NC(=O)CC[NH2+][C@@H](c2ccccc2)C(C)(C)CO)cc1Cl ZINC000411645657 823593576 /nfs/dbraw/zinc/59/35/76/823593576.db2.gz TZBQRVMHNNSJOE-FQEVSTJZSA-N 1 0 390.911 4.027 20 0 GIADRO O=C(CC[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)Nc1ccccc1Cl ZINC000411645264 823593594 /nfs/dbraw/zinc/59/35/94/823593594.db2.gz KRSDLYDKRBZAEE-IEBWSBKVSA-N 1 0 379.287 4.442 20 0 GIADRO COc1ccc(CCCC(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)cc1 ZINC000061375181 823593955 /nfs/dbraw/zinc/59/39/55/823593955.db2.gz FVHYEOLQUOHOTD-UHFFFAOYSA-N 1 0 380.532 4.061 20 0 GIADRO O=C(CC[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)Nc1ccc(Cl)cc1 ZINC000411650540 823594137 /nfs/dbraw/zinc/59/41/37/823594137.db2.gz QXGYMQJWGSWDHJ-MJGOQNOKSA-N 1 0 380.822 4.067 20 0 GIADRO O=C(CC[NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)Nc1ccc(Cl)cc1 ZINC000411650541 823594201 /nfs/dbraw/zinc/59/42/01/823594201.db2.gz QXGYMQJWGSWDHJ-PKOBYXMFSA-N 1 0 380.822 4.067 20 0 GIADRO CCCN(CC[NH+](CC)CC)C(=O)c1ccc(C(=O)Nc2ccccc2)cc1 ZINC000461182227 823594451 /nfs/dbraw/zinc/59/44/51/823594451.db2.gz WBURSIRHOYICFN-UHFFFAOYSA-N 1 0 381.520 4.133 20 0 GIADRO CCC(CC)n1nccc1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000124412133 823594550 /nfs/dbraw/zinc/59/45/50/823594550.db2.gz FWIKYFQIIYQDMU-IFMALSPDSA-N 1 0 394.563 4.371 20 0 GIADRO CC(C)[N@@H+](Cc1ccc(-c2ncco2)cc1F)C[C@H](O)COc1ccccc1 ZINC000411653332 823594745 /nfs/dbraw/zinc/59/47/45/823594745.db2.gz ZWLKKAPLPSCKPR-IBGZPJMESA-N 1 0 384.451 4.131 20 0 GIADRO COc1ccc(C(=O)CCC(=O)Nc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000061397712 823595202 /nfs/dbraw/zinc/59/52/02/823595202.db2.gz DPPZDFIGBYAFPB-UHFFFAOYSA-N 1 0 380.488 4.283 20 0 GIADRO CCOc1ccccc1NC(=O)CC[NH2+][C@H](c1ccc(C)cc1)c1ccccn1 ZINC000411658675 823595358 /nfs/dbraw/zinc/59/53/58/823595358.db2.gz MPQNHAGHZPLPBL-XMMPIXPASA-N 1 0 389.499 4.497 20 0 GIADRO CCOC(=O)CC1([NH2+]CCC(=O)Nc2c(Cl)cccc2Cl)CCCC1 ZINC000411670616 823596170 /nfs/dbraw/zinc/59/61/70/823596170.db2.gz LDRIISAGBWGHKJ-UHFFFAOYSA-N 1 0 387.307 4.178 20 0 GIADRO Cc1cc(=NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)[nH]n1C1CCCCC1 ZINC000461197831 823596914 /nfs/dbraw/zinc/59/69/14/823596914.db2.gz ZWQCRRKBSJZHAD-UHFFFAOYSA-N 1 0 394.563 4.359 20 0 GIADRO COc1cccc([C@H]2[C@@H]([NH2+]Cc3cc(-c4ccco4)on3)CCN2C2CC2)c1 ZINC000411688426 823597046 /nfs/dbraw/zinc/59/70/46/823597046.db2.gz CLLHNWDSFGMZFM-UGKGYDQZSA-N 1 0 379.460 4.011 20 0 GIADRO CN1CC[C@@H]([NH2+]CCC(=O)Nc2c(Cl)cccc2Cl)[C@@H]1c1ccccc1 ZINC000411693205 823597453 /nfs/dbraw/zinc/59/74/53/823597453.db2.gz LUUAMSAIXWQXJF-XLIONFOSSA-N 1 0 392.330 4.357 20 0 GIADRO Fc1c(F)c(C[NH2+][C@@H]2CCCC23CCOCC3)c(F)c(F)c1Br ZINC000411692683 823597486 /nfs/dbraw/zinc/59/74/86/823597486.db2.gz PSQCMDSRQXPOPM-SNVBAGLBSA-N 1 0 396.222 4.444 20 0 GIADRO CCc1nnc(C2CC[NH+](Cc3cccc(NC(=O)OC(C)(C)C)c3)CC2)[nH]1 ZINC000190679334 823597787 /nfs/dbraw/zinc/59/77/87/823597787.db2.gz JFPXQBHTVMQMPX-UHFFFAOYSA-N 1 0 385.512 4.094 20 0 GIADRO CN1CC[C@H]([NH2+]Cc2ccc(-c3ncco3)cc2F)[C@@H]1c1ccc(F)c(F)c1 ZINC000411702150 823598071 /nfs/dbraw/zinc/59/80/71/823598071.db2.gz YXRAKXVZOCEDOE-PMACEKPBSA-N 1 0 387.405 4.294 20 0 GIADRO Cc1nc(CC(C)C)oc1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000190683971 823598208 /nfs/dbraw/zinc/59/82/08/823598208.db2.gz ZGDBQIASRPZVNG-NHCUHLMSSA-N 1 0 395.547 4.308 20 0 GIADRO C[C@H](NC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cc2ccccc2o1 ZINC000061449930 823598184 /nfs/dbraw/zinc/59/81/84/823598184.db2.gz ABUPPLPSKVLFJK-PXNSSMCTSA-N 1 0 377.488 4.458 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[N@H+](C)C[C@H](O)COCc1ccco1 ZINC000124475921 823599960 /nfs/dbraw/zinc/59/99/60/823599960.db2.gz CGKMFMYIUPISNY-AEFFLSMTSA-N 1 0 386.517 4.282 20 0 GIADRO Cc1nc2ccccc2n1CC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000061503545 823600178 /nfs/dbraw/zinc/60/01/78/823600178.db2.gz ZYKAJLMOHRCSFJ-UHFFFAOYSA-N 1 0 390.531 4.037 20 0 GIADRO COc1ccc(OCCC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)cc1 ZINC000061503952 823600378 /nfs/dbraw/zinc/60/03/78/823600378.db2.gz SUSRTXFZVSNPHI-UHFFFAOYSA-N 1 0 396.531 4.157 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)[C@H](C)Sc2ccc(Br)cc2)CC1 ZINC000461217580 823600533 /nfs/dbraw/zinc/60/05/33/823600533.db2.gz LNFXELWUBPDPOK-AWEZNQCLSA-N 1 0 399.398 4.168 20 0 GIADRO O=C(CC[NH2+][C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)Nc1ccccc1 ZINC000411729948 823600607 /nfs/dbraw/zinc/60/06/07/823600607.db2.gz XNYXQRKHWVPWBA-HXUWFJFHSA-N 1 0 392.421 4.025 20 0 GIADRO COCC[N@H+](CCC(=O)Nc1ccccc1-c1ccccc1)Cc1ccccn1 ZINC000411727856 823600608 /nfs/dbraw/zinc/60/06/08/823600608.db2.gz BAZGMBJZKIFAFR-UHFFFAOYSA-N 1 0 389.499 4.226 20 0 GIADRO CCCOc1c(Cl)cc(C(=O)NCCC2CC[NH+](CC)CC2)cc1OCC ZINC000461220964 823600869 /nfs/dbraw/zinc/60/08/69/823600869.db2.gz MFRMPIDXEXXTNJ-UHFFFAOYSA-N 1 0 396.959 4.379 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)c2csc(-c3ccccc3Cl)n2)CC1 ZINC000461221343 823600953 /nfs/dbraw/zinc/60/09/53/823600953.db2.gz WBPGNQZMEHZGMV-UHFFFAOYSA-N 1 0 377.941 4.315 20 0 GIADRO C[C@@H](OCCCNC(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1ccccc1 ZINC000061525149 823601385 /nfs/dbraw/zinc/60/13/85/823601385.db2.gz PSDVODOTQDIFKN-HXUWFJFHSA-N 1 0 395.547 4.250 20 0 GIADRO OC[C@@]1(Cc2ccccc2)CCC[N@H+](Cc2ccc(-c3ncco3)cc2F)C1 ZINC000411748913 823602285 /nfs/dbraw/zinc/60/22/85/823602285.db2.gz UABDKERPTDTVDM-HSZRJFAPSA-N 1 0 380.463 4.298 20 0 GIADRO COC(=O)c1ccc(C[NH2+][C@@H]2c3cccc(Br)c3CC2(C)C)nc1 ZINC000411753687 823602554 /nfs/dbraw/zinc/60/25/54/823602554.db2.gz CYIGAMUNKHNDHU-QGZVFWFLSA-N 1 0 389.293 4.044 20 0 GIADRO C[C@H]([NH2+]CCC(=O)Nc1cccc(C(F)(F)F)c1)[C@@H]1OCCc2sccc21 ZINC000411760059 823603225 /nfs/dbraw/zinc/60/32/25/823603225.db2.gz QXPVHVQBEVDHAL-SGTLLEGYSA-N 1 0 398.450 4.388 20 0 GIADRO COc1cc(NC(=O)CC[NH2+]C(C)(C)c2ccccc2F)c(OC)cc1Cl ZINC000411762259 823603323 /nfs/dbraw/zinc/60/33/23/823603323.db2.gz WXZSAQZWAZMMLR-UHFFFAOYSA-N 1 0 394.874 4.350 20 0 GIADRO CC(C)[C@@H](CO)[C@H]([NH2+]Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1)C(C)C ZINC000411788830 823604949 /nfs/dbraw/zinc/60/49/49/823604949.db2.gz MWGBKIKASKMIHI-YLJYHZDGSA-N 1 0 399.560 4.443 20 0 GIADRO Cc1c2ccccc2oc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000124548355 823605565 /nfs/dbraw/zinc/60/55/65/823605565.db2.gz LRAQYEMCNQWQRQ-NHCUHLMSSA-N 1 0 397.563 4.150 20 0 GIADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1csc(-c2ccc(Cl)s2)n1 ZINC000461255403 823605769 /nfs/dbraw/zinc/60/57/69/823605769.db2.gz CQEZVBQWPCQCMW-GFCCVEGCSA-N 1 0 383.970 4.471 20 0 GIADRO CCCn1c(C)c(C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c2cc(OC)ccc21 ZINC000461255431 823605918 /nfs/dbraw/zinc/60/59/18/823605918.db2.gz CVYPCBXBFNTLAW-GOSISDBHSA-N 1 0 385.552 4.315 20 0 GIADRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)C[C@H](c3ccc(O)cc3)C3CC3)C2)CC1 ZINC000411801563 823606007 /nfs/dbraw/zinc/60/60/07/823606007.db2.gz WQCNNWOFXSCSCT-CVDCTZTESA-N 1 0 384.564 4.246 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)Nc2ccc(-n3cccn3)cc2C)CC1 ZINC000190763529 823606120 /nfs/dbraw/zinc/60/61/20/823606120.db2.gz XZTIGSYDYRKKAC-UHFFFAOYSA-N 1 0 383.540 4.157 20 0 GIADRO OC[C@@H]([NH2+]Cc1ccc(Br)c(Br)c1)c1ccccc1 ZINC000124566742 823606996 /nfs/dbraw/zinc/60/69/96/823606996.db2.gz VQNKKMVSPRONQL-OAHLLOKOSA-N 1 0 385.099 4.035 20 0 GIADRO CC(C)O[C@@H]1C[C@H]([NH2+]Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)C1(C)C ZINC000411810444 823606982 /nfs/dbraw/zinc/60/69/82/823606982.db2.gz VYQULOAQDWICGE-LSDHHAIUSA-N 1 0 387.505 4.339 20 0 GIADRO Cc1noc(Cl)c1CCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1C ZINC000061646757 823607320 /nfs/dbraw/zinc/60/73/20/823607320.db2.gz QPYUQRKDKDTWEH-UHFFFAOYSA-N 1 0 393.940 4.065 20 0 GIADRO CCO[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000411812601 823607383 /nfs/dbraw/zinc/60/73/83/823607383.db2.gz YUIOJSCLIBLWIJ-WOIUINJBSA-N 1 0 386.561 4.281 20 0 GIADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)CSCc1ccc(Br)cc1 ZINC000461265248 823608677 /nfs/dbraw/zinc/60/86/77/823608677.db2.gz PPEGCTCYWKANDC-QGZVFWFLSA-N 1 0 399.398 4.015 20 0 GIADRO COc1cccc2c(NCc3ccc(C[NH+]4CCC(O)CC4)cc3)cc(C)nc12 ZINC000124586919 823608724 /nfs/dbraw/zinc/60/87/24/823608724.db2.gz CQVXEXXVCGODIL-UHFFFAOYSA-N 1 0 391.515 4.121 20 0 GIADRO CCc1ccc([C@H](CNC(=O)Nc2ccc3c(c2)OC(C)(C)O3)[NH+](C)C)cc1 ZINC000061722984 823608790 /nfs/dbraw/zinc/60/87/90/823608790.db2.gz PIZBJJSPBLFNKS-SFHVURJKSA-N 1 0 383.492 4.181 20 0 GIADRO CC(C)(CNC(=O)Nc1ccc2c(c1)OC(C)(C)O2)[N@@H+]1CCc2ccccc2C1 ZINC000061723126 823608901 /nfs/dbraw/zinc/60/89/01/823608901.db2.gz IXGLWADLTBHNJY-UHFFFAOYSA-N 1 0 395.503 4.152 20 0 GIADRO Brc1ccccc1-c1noc([C@H]2CCC[N@@H+]2C[C@@H]2CCCCO2)n1 ZINC000190791827 823609601 /nfs/dbraw/zinc/60/96/01/823609601.db2.gz ZUBNKZXWHFIMBY-XJKSGUPXSA-N 1 0 392.297 4.205 20 0 GIADRO Cc1cc(NC(=O)[C@@H]2CCOc3ccccc32)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000190792625 823609610 /nfs/dbraw/zinc/60/96/10/823609610.db2.gz TZFSRVUIUAPPEB-JOCHJYFZSA-N 1 0 393.531 4.030 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)NCc1ccc(OC(C)C)cc1)c1ccsc1 ZINC000061735652 823610200 /nfs/dbraw/zinc/61/02/00/823610200.db2.gz DMMYZAJSJQYIPT-FQEVSTJZSA-N 1 0 389.565 4.418 20 0 GIADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)CCOc1ccccc1-c1ccccc1 ZINC000461273578 823610476 /nfs/dbraw/zinc/61/04/76/823610476.db2.gz TYGOXSGMTGLXQU-OAQYLSRUSA-N 1 0 380.532 4.455 20 0 GIADRO CN(Cc1ccc(-c2ncco2)cc1F)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000411871896 823611670 /nfs/dbraw/zinc/61/16/70/823611670.db2.gz LRJBOWAQJASYEP-UHFFFAOYSA-N 1 0 385.405 4.329 20 0 GIADRO Brc1cccc(-c2noc(C[N@@H+]3CCSC4(CCC4)CC3)n2)c1 ZINC000411872262 823611712 /nfs/dbraw/zinc/61/17/12/823611712.db2.gz URANYPQJDRQGSZ-UHFFFAOYSA-N 1 0 394.338 4.361 20 0 GIADRO Cc1ccc([C@H](CNC(=O)Nc2ccc(N(C)C)c(C)c2)[NH+]2CCCC2)cc1 ZINC000061750684 823611760 /nfs/dbraw/zinc/61/17/60/823611760.db2.gz CGNXJYVXJRFFBZ-QFIPXVFZSA-N 1 0 380.536 4.328 20 0 GIADRO Cc1cc(NC(=O)NCC2CC[NH+](Cc3cccs3)CC2)ccc1N(C)C ZINC000061750693 823611776 /nfs/dbraw/zinc/61/17/76/823611776.db2.gz XHSXSJCUVUINMU-UHFFFAOYSA-N 1 0 386.565 4.156 20 0 GIADRO CSc1ccccc1NC(=O)CC[NH2+][C@@H](c1cccs1)C1(CO)CCC1 ZINC000411883293 823612427 /nfs/dbraw/zinc/61/24/27/823612427.db2.gz VSKYDNYRYRUKGA-IBGZPJMESA-N 1 0 390.574 4.292 20 0 GIADRO COc1ccc(-c2nc(C[NH2+][C@@H]3Cc4ccccc4[C@@H]3OC)cs2)cc1OC ZINC000411894942 823613667 /nfs/dbraw/zinc/61/36/67/823613667.db2.gz SZQVNPSTDKZTLV-NQIIRXRSSA-N 1 0 396.512 4.229 20 0 GIADRO O[C@H]1C[C@@H](c2ccccc2)[N@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000411923250 823614535 /nfs/dbraw/zinc/61/45/35/823614535.db2.gz KMHRDOVDMBXKGV-LPHOPBHVSA-N 1 0 383.289 4.305 20 0 GIADRO CCN(Cc1ccccc1)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000061792649 823614936 /nfs/dbraw/zinc/61/49/36/823614936.db2.gz BRLDXGDDWHAXEW-UHFFFAOYSA-N 1 0 383.561 4.332 20 0 GIADRO COc1ccc(OCc2nc(C[NH2+][C@@H](C)[C@@](C)(OC)C3CC3)cs2)cc1 ZINC000411936461 823615187 /nfs/dbraw/zinc/61/51/87/823615187.db2.gz CGPRNEFUEDKPCW-VBKZILBWSA-N 1 0 376.522 4.024 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)c1 ZINC000061794924 823615315 /nfs/dbraw/zinc/61/53/15/823615315.db2.gz BMMWPMXDWWNZIF-OAQYLSRUSA-N 1 0 393.535 4.211 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)N[C@@H](c2ccc(OC)cc2)C(C)C)c1 ZINC000061855866 823616208 /nfs/dbraw/zinc/61/62/08/823616208.db2.gz SCMIGNGRNMIZMO-JOCHJYFZSA-N 1 0 383.536 4.343 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)N[C@H]2CCSc3ccc(F)cc32)c1 ZINC000061856287 823616443 /nfs/dbraw/zinc/61/64/43/823616443.db2.gz DMLWURDGPVIUQZ-IBGZPJMESA-N 1 0 387.524 4.314 20 0 GIADRO C[NH+](C)CCn1c2cc(NCc3ccc(Cl)c(Cl)c3)ccc2oc1=O ZINC000124677973 823616469 /nfs/dbraw/zinc/61/64/69/823616469.db2.gz ATABJMASCNIKAF-UHFFFAOYSA-N 1 0 380.275 4.075 20 0 GIADRO COc1ccc(CNC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)cc1F ZINC000061868122 823617007 /nfs/dbraw/zinc/61/70/07/823617007.db2.gz KXMVHSAAGTUMHS-QGZVFWFLSA-N 1 0 399.510 4.208 20 0 GIADRO CO[C@@](C)([C@@H](C)[NH2+]Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1)C1CC1 ZINC000411974817 823617471 /nfs/dbraw/zinc/61/74/71/823617471.db2.gz UUEJNSYFCORIFF-ASSNKEHSSA-N 1 0 383.517 4.357 20 0 GIADRO CSc1ccccc1OC[C@H](O)C[N@H+](Cc1sc(C)nc1C)C(C)C ZINC000411979818 823617677 /nfs/dbraw/zinc/61/76/77/823617677.db2.gz GDJNAYOBGNPNCD-MRXNPFEDSA-N 1 0 380.579 4.132 20 0 GIADRO CC[C@H](C)c1nnc(N(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)n1Cc1cccs1 ZINC000461325381 823617873 /nfs/dbraw/zinc/61/78/73/823617873.db2.gz QKVNPVLJBLXCGQ-BQFCYCMXSA-N 1 0 375.586 4.068 20 0 GIADRO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@H+](CCCn1ccnc1C)CC2 ZINC000124692316 823618038 /nfs/dbraw/zinc/61/80/38/823618038.db2.gz BGKNEJHIHILSHZ-XMMPIXPASA-N 1 0 391.515 4.247 20 0 GIADRO CSc1ccccc1OC[C@@H](O)C[N@H+](Cc1cccc(C(C)=O)c1)C(C)C ZINC000411987138 823618194 /nfs/dbraw/zinc/61/81/94/823618194.db2.gz QHMGNEYQVLFSDZ-FQEVSTJZSA-N 1 0 387.545 4.261 20 0 GIADRO CC[C@H](C(=O)N[C@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1)c1ccc(F)cc1 ZINC000461329298 823618391 /nfs/dbraw/zinc/61/83/91/823618391.db2.gz CCMVIKDOFPOXMZ-VABKMULXSA-N 1 0 396.506 4.422 20 0 GIADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccccc2-c2ccccc2)CCCCCC1 ZINC000061925370 823618788 /nfs/dbraw/zinc/61/87/88/823618788.db2.gz FYBPNPTYYFJANE-UHFFFAOYSA-N 1 0 393.531 4.063 20 0 GIADRO C[C@H]([NH2+][C@H](CO)[C@@H]1CCCOC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000411993459 823618857 /nfs/dbraw/zinc/61/88/57/823618857.db2.gz LLGYPZMKPBKQDH-FIXISWKDSA-N 1 0 385.348 4.162 20 0 GIADRO C[C@H]([NH2+][C@@H](CO)[C@H]1CCCOC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000411993479 823618952 /nfs/dbraw/zinc/61/89/52/823618952.db2.gz LLGYPZMKPBKQDH-PGUXBMHVSA-N 1 0 385.348 4.162 20 0 GIADRO CCCn1c(C(=O)N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc2ccccc21 ZINC000190883987 823619495 /nfs/dbraw/zinc/61/94/95/823619495.db2.gz HUKAFEVCHQKQGT-KDURUIRLSA-N 1 0 397.563 4.013 20 0 GIADRO OC[C@@H]([NH2+]CCCC(c1ccc(F)cc1)c1ccc(F)cc1)[C@@H]1CCCOC1 ZINC000412000267 823620194 /nfs/dbraw/zinc/62/01/94/823620194.db2.gz YQPBUMYAZLXMLK-AUSIDOKSSA-N 1 0 389.486 4.254 20 0 GIADRO CCSc1cc(Cl)ccc1C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000461337963 823620261 /nfs/dbraw/zinc/62/02/61/823620261.db2.gz JGQYECNTJIKJPA-UHFFFAOYSA-N 1 0 396.984 4.027 20 0 GIADRO Cc1cc(C)c(Br)c(C(=O)N2CCC(CCC[NH+](C)C)CC2)c1 ZINC000461342852 823620988 /nfs/dbraw/zinc/62/09/88/823620988.db2.gz UTMLZNVZFOZJMD-UHFFFAOYSA-N 1 0 381.358 4.260 20 0 GIADRO OCC1([C@H]([NH2+]Cc2cccc(Br)c2)c2ccccc2)CCOCC1 ZINC000412003732 823621032 /nfs/dbraw/zinc/62/10/32/823621032.db2.gz AHAHEAXNFNIHLG-LJQANCHMSA-N 1 0 390.321 4.069 20 0 GIADRO CC(C)c1ccccc1OC[C@@H](O)C[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412005213 823621292 /nfs/dbraw/zinc/62/12/92/823621292.db2.gz ZTTZILVCBRIECL-URXFXBBRSA-N 1 0 395.543 4.403 20 0 GIADRO Cc1ccc(-c2cc(C[NH2+][C@H](c3ccccc3)C3(CO)CCOCC3)on2)cc1 ZINC000412007117 823621837 /nfs/dbraw/zinc/62/18/37/823621837.db2.gz JDOMDQBPHSSQSU-HSZRJFAPSA-N 1 0 392.499 4.270 20 0 GIADRO OCC1([C@H]([NH2+]CCOc2ccc3ccccc3c2)c2ccccc2)CCOCC1 ZINC000412011656 823622459 /nfs/dbraw/zinc/62/24/59/823622459.db2.gz VBFLBSXBHUBEGI-XMMPIXPASA-N 1 0 391.511 4.339 20 0 GIADRO COC(=O)CCc1ccc(NC(=O)c2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000412022193 823623196 /nfs/dbraw/zinc/62/31/96/823623196.db2.gz RDABRUFYPUSYOZ-UHFFFAOYSA-N 1 0 380.488 4.030 20 0 GIADRO COc1ccc(C[C@@H](C)NC(=O)c2cccc(C[NH+]3CCCCC3)c2)cc1OC ZINC000412044089 823624136 /nfs/dbraw/zinc/62/41/36/823624136.db2.gz XCXJUIWDQUQAPS-GOSISDBHSA-N 1 0 396.531 4.051 20 0 GIADRO COc1ccccc1C[C@H]1CCC[N@@H+]1Cc1nnc(Cc2ccccc2C)o1 ZINC000124771682 823624860 /nfs/dbraw/zinc/62/48/60/823624860.db2.gz WKHYZMVBVRIHKY-HXUWFJFHSA-N 1 0 377.488 4.185 20 0 GIADRO COc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1nnc(Cc2ccccc2C)o1 ZINC000124771914 823624996 /nfs/dbraw/zinc/62/49/96/823624996.db2.gz WKHYZMVBVRIHKY-FQEVSTJZSA-N 1 0 377.488 4.185 20 0 GIADRO Cc1ccnc(Oc2ccc(NC(=O)NCC(C)(C)[N@@H+]3CCC[C@@H](C)C3)cc2)n1 ZINC000124772818 823625058 /nfs/dbraw/zinc/62/50/58/823625058.db2.gz QWSYIFPSKHMUKR-MRXNPFEDSA-N 1 0 397.523 4.209 20 0 GIADRO CC(C)Oc1cccc(CC(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000062229354 823625039 /nfs/dbraw/zinc/62/50/39/823625039.db2.gz IDCQQZMZMKCNOX-JOCHJYFZSA-N 1 0 380.532 4.045 20 0 GIADRO O=C(CCOc1ccccc1Cl)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000062230375 823625105 /nfs/dbraw/zinc/62/51/05/823625105.db2.gz OQAHMFUQKSUJJD-IBGZPJMESA-N 1 0 386.923 4.137 20 0 GIADRO C[C@@H]([NH2+]C[C@H](c1ccc(F)cc1)N(C)C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000124777101 823625420 /nfs/dbraw/zinc/62/54/20/823625420.db2.gz CSMVFKXYQFCFIX-QVKFZJNVSA-N 1 0 384.499 4.063 20 0 GIADRO Brc1cccc2c1OCCC[C@@H]2[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000124779405 823625627 /nfs/dbraw/zinc/62/56/27/823625627.db2.gz GRGVHRFFIUIYEL-SFHVURJKSA-N 1 0 399.292 4.033 20 0 GIADRO Cc1ccccc1C1(C[NH2+][C@H](C)C(=O)Nc2ccccc2Cl)CCOCC1 ZINC000062240139 823625697 /nfs/dbraw/zinc/62/56/97/823625697.db2.gz NGBKPRSWTPFTAS-QGZVFWFLSA-N 1 0 386.923 4.313 20 0 GIADRO CCCCCOc1cc(C)ccc1CNC(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000124784123 823625943 /nfs/dbraw/zinc/62/59/43/823625943.db2.gz DWHYKKCHIKCFAC-UHFFFAOYSA-N 1 0 375.557 4.236 20 0 GIADRO COc1cccc(C[NH2+]Cc2ccccc2-c2ccc(Cn3cccn3)cc2)n1 ZINC000190932946 823626458 /nfs/dbraw/zinc/62/64/58/823626458.db2.gz MDOQEQMHPCOSQV-UHFFFAOYSA-N 1 0 384.483 4.292 20 0 GIADRO C[C@@H]([NH2+]C[C@H](c1ccc(F)cc1)N(C)C)c1ccc(OCc2nccn2C)cc1 ZINC000124791967 823626534 /nfs/dbraw/zinc/62/65/34/823626534.db2.gz ATQVAKYYSXNNTQ-VGOFRKELSA-N 1 0 396.510 4.092 20 0 GIADRO CC[N@H+](C[C@@H](O)C(F)(F)F)[C@@H]1CCSc2ccc(Br)cc21 ZINC000461382138 823626904 /nfs/dbraw/zinc/62/69/04/823626904.db2.gz AHGCBQOAWUTAQF-DGCLKSJQSA-N 1 0 384.261 4.231 20 0 GIADRO C[C@@H]([NH2+]C1(CNC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)CCOCC1)c1ccccc1 ZINC000412114005 823627312 /nfs/dbraw/zinc/62/73/12/823627312.db2.gz IQVFTWZWJBPMJO-CKUXNOBLSA-N 1 0 392.543 4.196 20 0 GIADRO CC[C@@H](C)n1ncc(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)c1C1CC1 ZINC000124805990 823627612 /nfs/dbraw/zinc/62/76/12/823627612.db2.gz XOMCAZTYBMCQBV-MRXNPFEDSA-N 1 0 384.524 4.314 20 0 GIADRO CCOc1cc(C[NH2+][C@@H]2CC[C@@H](OC)C2)cc(Br)c1OC(F)F ZINC000190943800 823628182 /nfs/dbraw/zinc/62/81/82/823628182.db2.gz LFEMINPRFNNWPZ-VXGBXAGGSA-N 1 0 394.256 4.106 20 0 GIADRO COc1cc(Cl)c(F)c(C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)c1 ZINC000412128397 823628301 /nfs/dbraw/zinc/62/83/01/823628301.db2.gz JBKBWCSNCQDIHV-CQSZACIVSA-N 1 0 390.886 4.443 20 0 GIADRO Cc1nn(-c2cccc(F)c2)cc1C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000412130382 823628633 /nfs/dbraw/zinc/62/86/33/823628633.db2.gz VJWNGOCMOOMKJC-HKUYNNGSSA-N 1 0 398.526 4.046 20 0 GIADRO COc1cc2c(c(OC)c1OC)CC[N@H+](Cc1ccc(C(F)F)cc1)CC2 ZINC000461393960 823628777 /nfs/dbraw/zinc/62/87/77/823628777.db2.gz CTIIWNBEDRDFAH-UHFFFAOYSA-N 1 0 377.431 4.251 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]2CCO[C@H]2c2ccccc2)CC1 ZINC000412132243 823628848 /nfs/dbraw/zinc/62/88/48/823628848.db2.gz LXMLGAOEYJOIOX-NMNUPHIUSA-N 1 0 378.516 4.106 20 0 GIADRO COc1cc(Cl)c(F)c(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000412132274 823628894 /nfs/dbraw/zinc/62/88/94/823628894.db2.gz PTYFYLMEXUZUDO-KPZWWZAWSA-N 1 0 396.915 4.362 20 0 GIADRO Cc1ccc(-c2noc(CN3CCN(Cc4ccc(C(F)F)cc4)CC3)n2)cc1 ZINC000461394937 823628969 /nfs/dbraw/zinc/62/89/69/823628969.db2.gz REBRILYRGJOIMN-UHFFFAOYSA-N 1 0 398.457 4.300 20 0 GIADRO O=C(Nc1ccc(F)cc1)NC1CC[NH+](Cc2cccc(OC(F)F)c2)CC1 ZINC000124839708 823630071 /nfs/dbraw/zinc/63/00/71/823630071.db2.gz HQQCOMBHOJDQCA-UHFFFAOYSA-N 1 0 393.409 4.213 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)Nc1ccc(F)cc1Cl ZINC000062372924 823630287 /nfs/dbraw/zinc/63/02/87/823630287.db2.gz BKFXNWYNQPNUKO-UHFFFAOYSA-N 1 0 385.817 4.353 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)Nc1ccc(F)cc1Cl ZINC000062372925 823630350 /nfs/dbraw/zinc/63/03/50/823630350.db2.gz CMUVGYMAJYLEGV-UHFFFAOYSA-N 1 0 385.817 4.353 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)Nc2ccc(OCC3CCOCC3)cc2)c1 ZINC000124843278 823630598 /nfs/dbraw/zinc/63/05/98/823630598.db2.gz OSFBNUUTYBYQQT-UHFFFAOYSA-N 1 0 383.492 4.198 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000412154950 823631126 /nfs/dbraw/zinc/63/11/26/823631126.db2.gz CVMQRNKUHAXUFI-QIJUGHKUSA-N 1 0 392.543 4.358 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(N3CCCC3)cc2C)cc1 ZINC000124855412 823631326 /nfs/dbraw/zinc/63/13/26/823631326.db2.gz QAMHLFKDHCDUNR-GOSISDBHSA-N 1 0 381.520 4.283 20 0 GIADRO CO[C@@]1(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccc(Cl)c2)CCOC1 ZINC000461414311 823631561 /nfs/dbraw/zinc/63/15/61/823631561.db2.gz IFDNMAMRRAMTIN-JOCHJYFZSA-N 1 0 397.906 4.088 20 0 GIADRO Cc1cccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C(F)(F)F)cc2)n1 ZINC000124859608 823631722 /nfs/dbraw/zinc/63/17/22/823631722.db2.gz FQPCFNNTLSLGCS-UHFFFAOYSA-N 1 0 380.414 4.005 20 0 GIADRO O=C(Nc1ccccc1-n1cccn1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000062391154 823632117 /nfs/dbraw/zinc/63/21/17/823632117.db2.gz ZWYVICAHHIGVDP-UHFFFAOYSA-N 1 0 381.524 4.039 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)Nc1cccc(OC(F)F)c1 ZINC000062389878 823632124 /nfs/dbraw/zinc/63/21/24/823632124.db2.gz GGKJQRFNEUXVCF-UHFFFAOYSA-N 1 0 399.388 4.162 20 0 GIADRO OCC[C@H]([NH2+]Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1)C1CCOCC1 ZINC000461417803 823632172 /nfs/dbraw/zinc/63/21/72/823632172.db2.gz KQAXZVVQIGIKPY-SFHVURJKSA-N 1 0 383.410 4.233 20 0 GIADRO O=C(Nc1ccc(CCC(F)(F)F)cc1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412172070 823632490 /nfs/dbraw/zinc/63/24/90/823632490.db2.gz KTSVCYCKWTXHSW-KRWDZBQOSA-N 1 0 386.483 4.338 20 0 GIADRO CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412178429 823633126 /nfs/dbraw/zinc/63/31/26/823633126.db2.gz WLAIAGAWFCMHCW-YLJYHZDGSA-N 1 0 390.593 4.006 20 0 GIADRO CC[C@H](C)Oc1cc(C)ccc1CNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412178425 823633133 /nfs/dbraw/zinc/63/31/33/823633133.db2.gz WLAIAGAWFCMHCW-PXNSSMCTSA-N 1 0 390.593 4.006 20 0 GIADRO CC(C)(C)c1nnc(NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)s1 ZINC000062405371 823633190 /nfs/dbraw/zinc/63/31/90/823633190.db2.gz FLLZFPNZGYHFAV-UHFFFAOYSA-N 1 0 379.574 4.002 20 0 GIADRO Cc1cc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c(C(F)(F)F)o1 ZINC000461422569 823633269 /nfs/dbraw/zinc/63/32/69/823633269.db2.gz DDYCFXPCQOCXPT-DLBZAZTESA-N 1 0 392.421 4.201 20 0 GIADRO CCc1ccc(CCC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000461423433 823633425 /nfs/dbraw/zinc/63/34/25/823633425.db2.gz AKFTXPWUNQSIPV-BJKOFHAPSA-N 1 0 376.544 4.162 20 0 GIADRO O=C(CCc1cncc2ccccc21)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461427022 823634567 /nfs/dbraw/zinc/63/45/67/823634567.db2.gz KITXHHZSBHVAIG-RPWUZVMVSA-N 1 0 399.538 4.148 20 0 GIADRO O=C([C@@H]1C[C@H]1c1cccc(O)c1)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000412195476 823634622 /nfs/dbraw/zinc/63/46/22/823634622.db2.gz PUINTVMAEOQBQB-XGAJZPNHSA-N 1 0 390.527 4.009 20 0 GIADRO O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N(CCc1ccccc1)C1CCCC1 ZINC000412199986 823634944 /nfs/dbraw/zinc/63/49/44/823634944.db2.gz ZARKBBXNQBJGRA-QFIPXVFZSA-N 1 0 386.605 4.218 20 0 GIADRO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CCCC[C@@H]1c1ccc(F)cc1F ZINC000412199408 823635030 /nfs/dbraw/zinc/63/50/30/823635030.db2.gz OOQRAVADMIUOCM-YLJYHZDGSA-N 1 0 394.531 4.236 20 0 GIADRO CCN(CC)[C@H](C[NH2+]Cc1cc(Br)ccc1OC)c1ccco1 ZINC000062423732 823635026 /nfs/dbraw/zinc/63/50/26/823635026.db2.gz WBIPIIGQSCSWCI-MRXNPFEDSA-N 1 0 381.314 4.223 20 0 GIADRO O=C(N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)C12CC3CC(CC(C3)C1)C2 ZINC000461429958 823635334 /nfs/dbraw/zinc/63/53/34/823635334.db2.gz PQXAJPCMUBUDFL-RJPNVUGNSA-N 1 0 378.560 4.183 20 0 GIADRO CO[C@]1(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(C)cc2C)CCOC1 ZINC000461430902 823635491 /nfs/dbraw/zinc/63/54/91/823635491.db2.gz RCBLFFDMTHUSNW-DEOSSOPVSA-N 1 0 391.515 4.051 20 0 GIADRO O=C(c1cc(F)c(F)cc1Cl)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461431359 823635718 /nfs/dbraw/zinc/63/57/18/823635718.db2.gz RSABODAHEMCWCE-HOTGVXAUSA-N 1 0 390.861 4.212 20 0 GIADRO O=C(CCOc1cccc(Cl)c1Cl)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000461431411 823635775 /nfs/dbraw/zinc/63/57/75/823635775.db2.gz ZTDIHCAYZRRMAM-OAHLLOKOSA-N 1 0 385.335 4.097 20 0 GIADRO O=C([C@@H](Oc1ccccc1)c1ccccc1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000461432729 823636144 /nfs/dbraw/zinc/63/61/44/823636144.db2.gz VGQSAXXVKCVPNC-REWPJTCUSA-N 1 0 378.516 4.141 20 0 GIADRO CC(C)(CC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)c1ccccc1 ZINC000461433601 823636257 /nfs/dbraw/zinc/63/62/57/823636257.db2.gz WTFJGUOHFYXEIA-VXKWHMMOSA-N 1 0 376.544 4.335 20 0 GIADRO CC(C)(C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)c1cccc(F)c1 ZINC000461433475 823636313 /nfs/dbraw/zinc/63/63/13/823636313.db2.gz CKMPKYJGMUUASK-VQTJNVASSA-N 1 0 380.507 4.084 20 0 GIADRO CCSc1ccc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000461433617 823636366 /nfs/dbraw/zinc/63/63/66/823636366.db2.gz WXDSTGYPOMHVEC-LEWJYISDSA-N 1 0 380.557 4.393 20 0 GIADRO CC(C)COc1ccc(C(C)(C)C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000461436169 823636914 /nfs/dbraw/zinc/63/69/14/823636914.db2.gz APXLBQRMSQHXHM-HXUWFJFHSA-N 1 0 386.580 4.333 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000412225792 823637246 /nfs/dbraw/zinc/63/72/46/823637246.db2.gz HINPVLREIOZVJW-VWNXMTODSA-N 1 0 377.532 4.340 20 0 GIADRO Cc1nn(-c2cccc(F)c2)cc1C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC000412228141 823637509 /nfs/dbraw/zinc/63/75/09/823637509.db2.gz FECUYINHTWQRMK-UHFFFAOYSA-N 1 0 392.478 4.209 20 0 GIADRO O=C(c1ccc(OC2CCC2)cc1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461438340 823637453 /nfs/dbraw/zinc/63/74/53/823637453.db2.gz LEYICNZPFUTKKZ-VXKWHMMOSA-N 1 0 390.527 4.212 20 0 GIADRO CC(C)(C)Oc1ccc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000461439576 823637765 /nfs/dbraw/zinc/63/77/65/823637765.db2.gz SKYPHLJKKZYPLG-YADHBBJMSA-N 1 0 392.543 4.458 20 0 GIADRO CC[C@H](C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)c1ccc(F)cc1 ZINC000461440171 823637857 /nfs/dbraw/zinc/63/78/57/823637857.db2.gz AOJNSPJTLTZFBM-FUDKSRODSA-N 1 0 380.507 4.300 20 0 GIADRO C[C@H](C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)c1ccc(Cl)s1 ZINC000461440774 823638017 /nfs/dbraw/zinc/63/80/17/823638017.db2.gz ZJAXWXRITUMVPU-SZMVWBNQSA-N 1 0 388.964 4.486 20 0 GIADRO O=C(Cc1csc2ccccc12)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461441765 823638278 /nfs/dbraw/zinc/63/82/78/823638278.db2.gz GHAQZTVDBQGPFT-FPOVZHCZSA-N 1 0 390.552 4.424 20 0 GIADRO COc1cc(C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2Cl)c2ccccc2n1 ZINC000124934204 823638397 /nfs/dbraw/zinc/63/83/97/823638397.db2.gz RVBRENXHZYAYDS-CQSZACIVSA-N 1 0 393.878 4.328 20 0 GIADRO Cc1[nH]c2ccc(CNC(=O)N(CC[NH+](C)C)Cc3cccc(F)c3)cc2c1C ZINC000062502428 823638926 /nfs/dbraw/zinc/63/89/26/823638926.db2.gz IEPJHVUSONKACW-UHFFFAOYSA-N 1 0 396.510 4.197 20 0 GIADRO O=C(c1cccc(-n2cccc2)c1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461445158 823639124 /nfs/dbraw/zinc/63/91/24/823639124.db2.gz LRJRZEOGSJEWEU-DHIUTWEWSA-N 1 0 385.511 4.071 20 0 GIADRO C[C@@H](NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)c1cccc(O)c1 ZINC000191031346 823640175 /nfs/dbraw/zinc/64/01/75/823640175.db2.gz QTKITQXLUZWIKT-JZWVFAODSA-N 1 0 393.531 4.149 20 0 GIADRO COc1ccc(OC)c([C@H](O)C[NH2+][C@@H](C)c2ccc(OC)c3ccccc32)c1 ZINC000124956227 823640239 /nfs/dbraw/zinc/64/02/39/823640239.db2.gz CGVMBBIHYHRHIA-YCRPNKLZSA-N 1 0 381.472 4.250 20 0 GIADRO O=C(c1cc(O)c2ccccc2c1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461450861 823640417 /nfs/dbraw/zinc/64/04/17/823640417.db2.gz RONMYRUMCNNOEC-RBBKRZOGSA-N 1 0 386.495 4.140 20 0 GIADRO C[C@@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)C1(c2ccccc2)CCCC1 ZINC000412257109 823640561 /nfs/dbraw/zinc/64/05/61/823640561.db2.gz HULUPNIUWVKVEY-WIYYLYMNSA-N 1 0 386.605 4.221 20 0 GIADRO O=C(c1ccccc1OCc1ccc(F)cc1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000461452539 823640563 /nfs/dbraw/zinc/64/05/63/823640563.db2.gz YHRALRGJAQAWJP-HXUWFJFHSA-N 1 0 396.506 4.353 20 0 GIADRO C[C@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)C1(c2ccccc2)CCCC1 ZINC000412257101 823640587 /nfs/dbraw/zinc/64/05/87/823640587.db2.gz HULUPNIUWVKVEY-GHTZIAJQSA-N 1 0 386.605 4.221 20 0 GIADRO C[C@H](SCc1ccccc1)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461452568 823640577 /nfs/dbraw/zinc/64/05/77/823640577.db2.gz VOTSZHZXVYZRQG-PMOQBDJRSA-N 1 0 394.584 4.289 20 0 GIADRO Cc1cc2[nH]c(C(=O)N3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@H]4C3)cc2c(C)c1 ZINC000461453446 823640946 /nfs/dbraw/zinc/64/09/46/823640946.db2.gz XTLUMKXZCDAKSD-SFTDATJTSA-N 1 0 387.527 4.379 20 0 GIADRO C[C@H](CCOc1ccccc1)C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461455257 823641096 /nfs/dbraw/zinc/64/10/96/823641096.db2.gz LCXSKBCMAUAURE-YMPZKCBVSA-N 1 0 392.543 4.072 20 0 GIADRO O=C([C@@H]1CCSc2ccccc21)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461456867 823641483 /nfs/dbraw/zinc/64/14/83/823641483.db2.gz QHCZBUDDLGISDA-TUNNFDKTSA-N 1 0 392.568 4.247 20 0 GIADRO Cc1nc2ccccc2cc1C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461457767 823641654 /nfs/dbraw/zinc/64/16/54/823641654.db2.gz RFZDNOWYBGYYGS-FCHUYYIVSA-N 1 0 385.511 4.137 20 0 GIADRO O=C(c1cccc(C(F)(F)F)c1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461457673 823641660 /nfs/dbraw/zinc/64/16/60/823641660.db2.gz QRCALZCOVKVHPB-OALUTQOASA-N 1 0 388.433 4.300 20 0 GIADRO O=C(CCc1cc2ccccc2o1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461457181 823641736 /nfs/dbraw/zinc/64/17/36/823641736.db2.gz RSJCWJATRKGYFS-VXKWHMMOSA-N 1 0 388.511 4.346 20 0 GIADRO CCOC(=O)C1CCC(O)(C[NH2+][C@H](Cc2ccccc2)c2cccs2)CC1 ZINC000191051867 823642697 /nfs/dbraw/zinc/64/26/97/823642697.db2.gz MWOOMJBAAKMIFF-GSVIPDFHSA-N 1 0 387.545 4.106 20 0 GIADRO Cc1nc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)c(-c2ccccc2)s1 ZINC000062637497 823642858 /nfs/dbraw/zinc/64/28/58/823642858.db2.gz CJJXKZBATFIEGJ-UHFFFAOYSA-N 1 0 392.528 4.123 20 0 GIADRO Cc1cc(C(F)(F)F)ccc1C[NH+]1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000191055733 823643260 /nfs/dbraw/zinc/64/32/60/823643260.db2.gz KXUZYHQGMRIITJ-UHFFFAOYSA-N 1 0 382.470 4.484 20 0 GIADRO CCC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(COCc2ccc(OC)cc2)c1 ZINC000124992595 823643371 /nfs/dbraw/zinc/64/33/71/823643371.db2.gz BCUYWIJFMSBOJX-QFIPXVFZSA-N 1 0 382.504 4.225 20 0 GIADRO C[C@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)c1ccc(Cl)cc1Cl ZINC000412292365 823643428 /nfs/dbraw/zinc/64/34/28/823643428.db2.gz MGILMHOKAMLFOL-SWLSCSKDSA-N 1 0 387.376 4.388 20 0 GIADRO CCC[C@H](C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000461470807 823643704 /nfs/dbraw/zinc/64/37/04/823643704.db2.gz ZIUOJGBDZZHWEO-YADHBBJMSA-N 1 0 379.548 4.384 20 0 GIADRO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccc(F)c(F)c1F ZINC000461471570 823643741 /nfs/dbraw/zinc/64/37/41/823643741.db2.gz FGCYAJPHABNVRF-INIZCTEOSA-N 1 0 376.422 4.136 20 0 GIADRO CN(C)c1ccc(N2CCC(NC(=O)[C@H]3CCCc4sccc43)CC2)cc1 ZINC000125003807 823644152 /nfs/dbraw/zinc/64/41/52/823644152.db2.gz ZUDIKYFQGQNVFD-FQEVSTJZSA-N 1 0 383.561 4.019 20 0 GIADRO Cc1ccc2oc(C(=O)NC[C@H]3CCCC[N@H+](Cc4ccccc4)C3)cc2n1 ZINC000461474367 823644233 /nfs/dbraw/zinc/64/42/33/823644233.db2.gz MVAHLPQLUMRJQC-LJQANCHMSA-N 1 0 377.488 4.168 20 0 GIADRO Cc1c(NC(=O)c2cccc(C[NH+]3CCCCC3)c2)cccc1NC(=O)N(C)C ZINC000412300023 823644412 /nfs/dbraw/zinc/64/44/12/823644412.db2.gz QAFULCYSIJEULO-UHFFFAOYSA-N 1 0 394.519 4.327 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)c2nnc(-c3ccccc3)n2Cc2cccs2)C[C@H]1C ZINC000461478194 823644830 /nfs/dbraw/zinc/64/48/30/823644830.db2.gz IBDJBUVTYUSDKB-IEBWSBKVSA-N 1 0 395.576 4.364 20 0 GIADRO O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N1CCC(c2cccc(Cl)c2)CC1 ZINC000412308155 823645041 /nfs/dbraw/zinc/64/50/41/823645041.db2.gz NPMRMOUCMGARFT-FQEVSTJZSA-N 1 0 392.996 4.264 20 0 GIADRO O=C(CC[NH+]1CCCCC1)Nc1cccc(NC(=O)c2scnc2C2CC2)c1 ZINC000125032051 823646663 /nfs/dbraw/zinc/64/66/63/823646663.db2.gz JYGZSAFMWBHWPO-UHFFFAOYSA-N 1 0 398.532 4.087 20 0 GIADRO COc1cccc(CN(CC[NH+](C)C)C(=O)Nc2cccc(Cl)c2F)c1 ZINC000191089607 823647432 /nfs/dbraw/zinc/64/74/32/823647432.db2.gz SZIYZGGPKQUGDU-UHFFFAOYSA-N 1 0 379.863 4.083 20 0 GIADRO C[C@H](CNC(=O)N1CCC([NH+]2CCCC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000191095380 823648516 /nfs/dbraw/zinc/64/85/16/823648516.db2.gz ZBFLVKIWPNQPNE-OAHLLOKOSA-N 1 0 383.458 4.079 20 0 GIADRO Cc1ccc(Cl)c2sc(NC(=O)C3CC[NH+]([C@@H]4CCSC4)CC3)nc21 ZINC000412349151 823649051 /nfs/dbraw/zinc/64/90/51/823649051.db2.gz SXLSPSQZMPVZOJ-CYBMUJFWSA-N 1 0 395.981 4.414 20 0 GIADRO C[C@H](NC(=O)c1cccc(C[NH+]2CCCCC2)c1)[C@@H]1OCCc2sccc21 ZINC000412354133 823649370 /nfs/dbraw/zinc/64/93/70/823649370.db2.gz APGYNJPJZGQMFE-KKSFZXQISA-N 1 0 384.545 4.166 20 0 GIADRO CCSc1ccc([C@@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccco2)cc1 ZINC000125068347 823649665 /nfs/dbraw/zinc/64/96/65/823649665.db2.gz FLMFPOBQUIPZEI-MRXNPFEDSA-N 1 0 375.538 4.226 20 0 GIADRO Cc1ccc(NC(=O)[C@H](C)Nc2cccc(N3CC[NH+](C(C)C)CC3)c2)c(C)c1 ZINC000125069113 823649754 /nfs/dbraw/zinc/64/97/54/823649754.db2.gz VNVLQTOSKIGXQG-FQEVSTJZSA-N 1 0 394.563 4.273 20 0 GIADRO Cc1ccc(-c2nnc(N(C)[C@H]3CC[N@@H+](C4CC4)C3)n2Cc2cccs2)s1 ZINC000461503191 823649944 /nfs/dbraw/zinc/64/99/44/823649944.db2.gz PHZVQFMJSPPZLD-INIZCTEOSA-N 1 0 399.589 4.098 20 0 GIADRO CC[NH+](CC)CCOc1ccc(C(=O)Nc2ccc(-c3cc[nH]n3)cc2)cc1 ZINC000063079753 823650367 /nfs/dbraw/zinc/65/03/67/823650367.db2.gz YZTPRJITRMWUNW-UHFFFAOYSA-N 1 0 378.476 4.050 20 0 GIADRO O=C(CCOc1ccccc1Cl)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000063080293 823650419 /nfs/dbraw/zinc/65/04/19/823650419.db2.gz WTBMHYPPBMVISA-UHFFFAOYSA-N 1 0 386.923 4.137 20 0 GIADRO CCOc1ccccc1CCC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000063080991 823650517 /nfs/dbraw/zinc/65/05/17/823650517.db2.gz LLVFKQJGTSZCLJ-UHFFFAOYSA-N 1 0 380.532 4.046 20 0 GIADRO C[C@H](Oc1cccc(Cl)c1)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000063081079 823650575 /nfs/dbraw/zinc/65/05/75/823650575.db2.gz ZWWSNZCPZJLISO-KRWDZBQOSA-N 1 0 386.923 4.136 20 0 GIADRO CC[C@H](OC1CCCCC1)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000125083062 823650568 /nfs/dbraw/zinc/65/05/68/823650568.db2.gz PMUJFBVPEXMLCP-QFIPXVFZSA-N 1 0 387.568 4.283 20 0 GIADRO CC(C)c1cc(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)nn1C(C)(C)C ZINC000063081546 823650744 /nfs/dbraw/zinc/65/07/44/823650744.db2.gz WBUFJQKVAVQLIJ-UHFFFAOYSA-N 1 0 396.579 4.404 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)N2CCc3cc(Cl)ccc3C2)CC1 ZINC000191117689 823650917 /nfs/dbraw/zinc/65/09/17/823650917.db2.gz ZPDGBCRIJDNUGX-UHFFFAOYSA-N 1 0 398.938 4.072 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)c2nnc(-c3ccc(C)o3)n2Cc2cccs2)[C@@H](C)C1 ZINC000461509563 823651140 /nfs/dbraw/zinc/65/11/40/823651140.db2.gz RTEIIYFGFGGUMS-MAUKXSAKSA-N 1 0 399.564 4.123 20 0 GIADRO S=C(NCCCSc1ccccc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000063143755 823652579 /nfs/dbraw/zinc/65/25/79/823652579.db2.gz IYGSQQLSUGQOPN-UHFFFAOYSA-N 1 0 399.629 4.298 20 0 GIADRO S=C(Nc1ccc(N2CCCC2)cc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000063146050 823652763 /nfs/dbraw/zinc/65/27/63/823652763.db2.gz ODGCINUEXWHBPN-UHFFFAOYSA-N 1 0 394.588 4.238 20 0 GIADRO Cc1ccnc(Oc2ccc(NC(=O)NCCC[NH+](C(C)C)C(C)C)cc2)n1 ZINC000125138896 823654330 /nfs/dbraw/zinc/65/43/30/823654330.db2.gz NZGRFSINLFIVOS-UHFFFAOYSA-N 1 0 385.512 4.208 20 0 GIADRO CCN(C(C)=O)c1nc(C[NH2+]C[C@@H](C)c2ccc(C(F)(F)F)cc2)cs1 ZINC000191155354 823654404 /nfs/dbraw/zinc/65/44/04/823654404.db2.gz AHMSWGUZGSYOBC-GFCCVEGCSA-N 1 0 385.455 4.428 20 0 GIADRO COc1cccc(O[C@H](C)C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2Cl)c1 ZINC000125144290 823654665 /nfs/dbraw/zinc/65/46/65/823654665.db2.gz JLNBCWAFYCZQDK-HUUCEWRRSA-N 1 0 386.883 4.047 20 0 GIADRO O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000412430611 823654922 /nfs/dbraw/zinc/65/49/22/823654922.db2.gz VOEUHBZCYLTLHM-LEWJYISDSA-N 1 0 384.589 4.348 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC000191169850 823655810 /nfs/dbraw/zinc/65/58/10/823655810.db2.gz ARVCOVMVWSGNQV-JKSUJKDBSA-N 1 0 377.529 4.016 20 0 GIADRO COCCN(C)c1ccc(C[NH2+][C@H](Cc2ccccc2)c2ccccc2F)cn1 ZINC000191172030 823656128 /nfs/dbraw/zinc/65/61/28/823656128.db2.gz OTTOZUSEWKOYTI-HSZRJFAPSA-N 1 0 393.506 4.377 20 0 GIADRO C[C@@H](c1nc(C(C)(C)NC(=O)c2cccc(Cl)c2)no1)[NH+]1[C@H](C)CC[C@H]1C ZINC000191174069 823656238 /nfs/dbraw/zinc/65/62/38/823656238.db2.gz WYXLEGHLVIJFSM-MCIONIFRSA-N 1 0 390.915 4.322 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)c3csc4c3CCCC4)CC2)cc1 ZINC000063263349 823657991 /nfs/dbraw/zinc/65/79/91/823657991.db2.gz OFSWDWKASGRZID-UHFFFAOYSA-N 1 0 398.572 4.278 20 0 GIADRO Cc1onc(-c2ccc(F)cc2)c1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000063272431 823658657 /nfs/dbraw/zinc/65/86/57/823658657.db2.gz DYOWAGJMAFEJDQ-UHFFFAOYSA-N 1 0 385.483 4.174 20 0 GIADRO CCCc1ccc(C(=O)CCC(=O)NC2CC[NH+](CC3CCCC3)CC2)cc1 ZINC000063273109 823658745 /nfs/dbraw/zinc/65/87/45/823658745.db2.gz FJTRWSFMPVYZJM-UHFFFAOYSA-N 1 0 384.564 4.373 20 0 GIADRO CC[C@@H]([NH2+]Cc1ccccc1CS(=O)(=O)NC(C)C)c1cc(F)ccc1F ZINC000125210338 823659392 /nfs/dbraw/zinc/65/93/92/823659392.db2.gz FBVSSSCSMBSGSJ-HXUWFJFHSA-N 1 0 396.503 4.034 20 0 GIADRO O=C(NCCc1cccs1)C1CC[NH+](Cc2cc(F)cc3cccnc32)CC1 ZINC000063301216 823661177 /nfs/dbraw/zinc/66/11/77/823661177.db2.gz GRNRJGVYFGBXGS-UHFFFAOYSA-N 1 0 397.519 4.006 20 0 GIADRO C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000412554471 823661764 /nfs/dbraw/zinc/66/17/64/823661764.db2.gz YQNNGEAKQVZYTI-GFCCVEGCSA-N 1 0 395.272 4.056 20 0 GIADRO Cc1cccn2cc(COc3ccc(C[NH2+]CCc4ccc(O)cc4)cc3)nc12 ZINC000063319122 823661934 /nfs/dbraw/zinc/66/19/34/823661934.db2.gz DXNJCZPTQAPMCM-UHFFFAOYSA-N 1 0 387.483 4.260 20 0 GIADRO COc1ccc(C(=O)Nc2ccc(C[NH+](C)C)cc2F)c(OC2CCCC2)c1 ZINC000412557490 823662039 /nfs/dbraw/zinc/66/20/39/823662039.db2.gz IRDHEBOGWFWZMG-UHFFFAOYSA-N 1 0 386.467 4.470 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)C[C@@H](C)c1ccc(F)cc1F ZINC000412560008 823662207 /nfs/dbraw/zinc/66/22/07/823662207.db2.gz AFJBEHWDXYTNAG-CQSZACIVSA-N 1 0 392.446 4.046 20 0 GIADRO CCN(CC(=O)Nc1ccc(C[NH+](C)C)cc1F)Cc1ccccc1Cl ZINC000412561447 823662487 /nfs/dbraw/zinc/66/24/87/823662487.db2.gz UECWPVULTGNXSH-UHFFFAOYSA-N 1 0 377.891 4.001 20 0 GIADRO C[C@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000412562345 823662530 /nfs/dbraw/zinc/66/25/30/823662530.db2.gz WOVGCWFLDYWXGH-LBPRGKRZSA-N 1 0 384.373 4.312 20 0 GIADRO CCOc1cccc([C@@H](C)NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000063323130 823662645 /nfs/dbraw/zinc/66/26/45/823662645.db2.gz MHGHFEFWMAWTDV-QGZVFWFLSA-N 1 0 399.510 4.249 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)C[C@@H]1CCCc2ccccc21 ZINC000412562470 823662722 /nfs/dbraw/zinc/66/27/22/823662722.db2.gz HVEGPOLPTLAHJN-SFHVURJKSA-N 1 0 382.504 4.084 20 0 GIADRO C[NH+](C)Cc1ccc(NC(=O)CCc2ccccc2OC(F)(F)F)c(F)c1 ZINC000412563493 823662830 /nfs/dbraw/zinc/66/28/30/823662830.db2.gz ZYXYRXPKIHAYQE-UHFFFAOYSA-N 1 0 384.373 4.357 20 0 GIADRO Cc1ccc(SCCNC(=O)NC2CC[NH+](CC3CCCC3)CC2)cc1 ZINC000063332161 823663516 /nfs/dbraw/zinc/66/35/16/823663516.db2.gz PWVXMHYFYGOYJO-UHFFFAOYSA-N 1 0 375.582 4.041 20 0 GIADRO O=C(NCCCSc1ccccc1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000063333457 823663534 /nfs/dbraw/zinc/66/35/34/823663534.db2.gz RRNMFSMOSNQFQA-UHFFFAOYSA-N 1 0 375.582 4.123 20 0 GIADRO COc1ccc(CC[NH2+][C@H](C)c2cnn(C(C)(C)C)c2C)cc1OC(F)F ZINC000191252184 823663716 /nfs/dbraw/zinc/66/37/16/823663716.db2.gz CWYFIWJPSWJUSZ-CYBMUJFWSA-N 1 0 381.467 4.450 20 0 GIADRO CCCOc1c(Br)cc(CN(C)C2CC[NH+](CC)CC2)cc1OC ZINC000125270031 823663902 /nfs/dbraw/zinc/66/39/02/823663902.db2.gz AQOHTDVIEWFLFK-UHFFFAOYSA-N 1 0 399.373 4.163 20 0 GIADRO CCC[C@H]([NH2+][C@@H](C)c1cnn(C(C)C)c1C)C(=O)N1CCc2sccc2C1 ZINC000191256705 823664064 /nfs/dbraw/zinc/66/40/64/823664064.db2.gz XRFUNSSAMIWRKI-KXBFYZLASA-N 1 0 388.581 4.238 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)c1csc2cc(C)ccc12 ZINC000412583124 823664202 /nfs/dbraw/zinc/66/42/02/823664202.db2.gz WBCJBYORZQCWQI-UHFFFAOYSA-N 1 0 384.501 4.411 20 0 GIADRO CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3ccc(OCC4CC4)cc3)ccc2NC1=O ZINC000191258779 823664343 /nfs/dbraw/zinc/66/43/43/823664343.db2.gz HNQZRTOYCFUBLM-QVKFZJNVSA-N 1 0 380.488 4.436 20 0 GIADRO Cc1noc(C)c1[C@@H](C)C(=O)OC[C@@H]1CCC[N@H+](Cc2cc(F)ccc2F)C1 ZINC000125281503 823664540 /nfs/dbraw/zinc/66/45/40/823664540.db2.gz HSEMDRZWWCZXFC-CZUORRHYSA-N 1 0 392.446 4.129 20 0 GIADRO C[NH+](C)Cc1ccc(NC(=O)CCc2cccc(F)c2Br)c(F)c1 ZINC000412585639 823664522 /nfs/dbraw/zinc/66/45/22/823664522.db2.gz VQRBIVZVFJGSAD-UHFFFAOYSA-N 1 0 397.263 4.360 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1OC(C)C ZINC000125281624 823664584 /nfs/dbraw/zinc/66/45/84/823664584.db2.gz XOODYCJGOLNUKK-HOTGVXAUSA-N 1 0 391.533 4.298 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCCC1)N[C@H]1C[C@H]1c1cccc(F)c1 ZINC000063351968 823665080 /nfs/dbraw/zinc/66/50/80/823665080.db2.gz SRSGWSSBIUJTJM-VXKWHMMOSA-N 1 0 381.495 4.167 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@@H](C)Cn2cc(Br)cn2)ccc1OC(C)C ZINC000125299964 823666099 /nfs/dbraw/zinc/66/60/99/823666099.db2.gz VKIWYHQZHBVMGU-KBPBESRZSA-N 1 0 396.329 4.181 20 0 GIADRO CCC(=O)Nc1ccc(C)c(NC(=O)NC2CC[NH+](CC3CCCC3)CC2)c1 ZINC000063391650 823667139 /nfs/dbraw/zinc/66/71/39/823667139.db2.gz YDPZCNCOCPIYJT-UHFFFAOYSA-N 1 0 386.540 4.120 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@@H]2CCN(c3ccccc3OC(F)F)C2)cnn1C(C)C ZINC000191294074 823668331 /nfs/dbraw/zinc/66/83/31/823668331.db2.gz ZREOIDFETFRMEP-GOEBONIOSA-N 1 0 378.467 4.303 20 0 GIADRO CCOc1cccc([C@@H](C)NC(=O)NCc2ccccc2C[NH+]2CCCC2)c1 ZINC000063404968 823668800 /nfs/dbraw/zinc/66/88/00/823668800.db2.gz UXWWVSLAKJOLJO-GOSISDBHSA-N 1 0 381.520 4.242 20 0 GIADRO CCN(C(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1)C1CCCCC1 ZINC000063407475 823668833 /nfs/dbraw/zinc/66/88/33/823668833.db2.gz QYAGPNRXELQPMZ-UHFFFAOYSA-N 1 0 387.568 4.271 20 0 GIADRO Cc1cc(C)cc(Oc2ccc(CNC(=O)NC3CC[NH+](C)CC3)cc2C)c1 ZINC000063408159 823668945 /nfs/dbraw/zinc/66/89/45/823668945.db2.gz KGJKNBMBXXVISB-UHFFFAOYSA-N 1 0 381.520 4.298 20 0 GIADRO COc1ccccc1C(C)(C)CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000063408450 823669052 /nfs/dbraw/zinc/66/90/52/823669052.db2.gz AYFMOJLIJXSOLZ-UHFFFAOYSA-N 1 0 395.547 4.068 20 0 GIADRO Cc1c([C@H](C)NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)cnn1C(C)(C)C ZINC000191300613 823669063 /nfs/dbraw/zinc/66/90/63/823669063.db2.gz VIAKBMIXPWFZLN-MOPGFXCFSA-N 1 0 398.595 4.497 20 0 GIADRO C[C@H]([NH2+]CCCOC1CCCC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000125339256 823669104 /nfs/dbraw/zinc/66/91/04/823669104.db2.gz FMXOUJXJMRKQAN-KRWDZBQOSA-N 1 0 379.566 4.403 20 0 GIADRO OCC1CC[NH+](Cc2cccc(NCc3c(O)ccc(Cl)c3F)c2)CC1 ZINC000191304009 823669412 /nfs/dbraw/zinc/66/94/12/823669412.db2.gz RDTYCROUFCRYTQ-UHFFFAOYSA-N 1 0 378.875 4.001 20 0 GIADRO O=C1O[C@@H](C[N@H+](CCc2ccccc2)Cc2cccnc2)CN1c1ccccc1 ZINC000191345008 823674405 /nfs/dbraw/zinc/67/44/05/823674405.db2.gz YSTZBKXTNXCOLC-QHCPKHFHSA-N 1 0 387.483 4.152 20 0 GIADRO CCC1(C(=O)NC2CC[NH+](CCOc3ccc(F)cc3)CC2)CCCCC1 ZINC000461646057 823674661 /nfs/dbraw/zinc/67/46/61/823674661.db2.gz CYMWVJXAOGPSCG-UHFFFAOYSA-N 1 0 376.516 4.146 20 0 GIADRO Cc1nn(C)c(=O)c(-c2nc(C[NH2+][C@H]3CCC[C@@H]3CCC(C)C)cs2)c1C ZINC000191347912 823674901 /nfs/dbraw/zinc/67/49/01/823674901.db2.gz RXMSCNGPJYXMLM-AEFFLSMTSA-N 1 0 388.581 4.215 20 0 GIADRO OC[C@@H]([NH2+]Cc1ccc(OCC2CC2)cc1)c1cccc(Br)c1 ZINC000191354264 823675542 /nfs/dbraw/zinc/67/55/42/823675542.db2.gz TUEWHWIFMAVIOQ-LJQANCHMSA-N 1 0 376.294 4.061 20 0 GIADRO COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000191362090 823676626 /nfs/dbraw/zinc/67/66/26/823676626.db2.gz VNTFQWKKXSHRPZ-UONOGXRCSA-N 1 0 395.459 4.078 20 0 GIADRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1csc(Cl)c1 ZINC000191368576 823677467 /nfs/dbraw/zinc/67/74/67/823677467.db2.gz MUWRMOJLEKAGFT-CQSZACIVSA-N 1 0 398.981 4.047 20 0 GIADRO CCCN(CCC[NH+](C)C)C(=O)Nc1ccc(Sc2ncccn2)cc1C ZINC000191370736 823677874 /nfs/dbraw/zinc/67/78/74/823677874.db2.gz XCGLVWZKYHGTBG-UHFFFAOYSA-N 1 0 387.553 4.132 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000191369492 823677692 /nfs/dbraw/zinc/67/76/92/823677692.db2.gz CPJXHSXZBSZSHZ-PZJWPPBQSA-N 1 0 382.504 4.288 20 0 GIADRO Cn1cc(C[N@H+](C)Cc2ccccc2OC(F)(F)F)c(-c2ccncc2)n1 ZINC000125467376 823678491 /nfs/dbraw/zinc/67/84/91/823678491.db2.gz PYDCBRHMRHDZDF-UHFFFAOYSA-N 1 0 376.382 4.013 20 0 GIADRO Fc1cc(C[NH2+]Cc2ccccc2OCc2cccnc2)ccc1-n1ccnc1 ZINC000063548752 823678879 /nfs/dbraw/zinc/67/88/79/823678879.db2.gz BDCYPCFYWRMYSH-UHFFFAOYSA-N 1 0 388.446 4.275 20 0 GIADRO CC[N@@H+](Cc1ccc(N(C)C(C)C)nc1)CC1CCN(c2ccccn2)CC1 ZINC000191387112 823679128 /nfs/dbraw/zinc/67/91/28/823679128.db2.gz SRBUXHXQSWRSIK-UHFFFAOYSA-N 1 0 381.568 4.060 20 0 GIADRO COc1cc2c(cc1C[NH2+]CCc1ccc(Br)s1)O[C@@H](C)C2 ZINC000063560173 823679468 /nfs/dbraw/zinc/67/94/68/823679468.db2.gz VTRAUUJMPYNAAC-NSHDSACASA-N 1 0 382.323 4.175 20 0 GIADRO CC(C)c1ccc(C[NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)cc1 ZINC000063561642 823679513 /nfs/dbraw/zinc/67/95/13/823679513.db2.gz TVYLQNRRRWNANL-RTBURBONSA-N 1 0 380.532 4.349 20 0 GIADRO CC(C)(C)[N@@H+]1CCCN(C(=S)NCCSc2ccc(Cl)cc2)CC1 ZINC000063566897 823679924 /nfs/dbraw/zinc/67/99/24/823679924.db2.gz WMHRIKDTMZCYLG-UHFFFAOYSA-N 1 0 386.030 4.113 20 0 GIADRO Cc1ccc([C@@H]2CCCN2C(=O)NCc2cccc(OCC[NH+](C)C)c2)cc1C ZINC000063615938 823683376 /nfs/dbraw/zinc/68/33/76/823683376.db2.gz MTJWSZCXRKLTFG-QHCPKHFHSA-N 1 0 395.547 4.291 20 0 GIADRO CC(C)[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 ZINC000063618405 823683468 /nfs/dbraw/zinc/68/34/68/823683468.db2.gz IYNMLQMHULLBMG-AVRDEDQJSA-N 1 0 393.531 4.237 20 0 GIADRO COc1cc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc(C)c(C)c2)cc(OC)c1OC ZINC000063619358 823683513 /nfs/dbraw/zinc/68/35/13/823683513.db2.gz PKHZCHOWMOZGRL-IBGZPJMESA-N 1 0 398.503 4.105 20 0 GIADRO C[N@H+](Cc1cc(F)cc2cccnc21)[C@H](CO)c1cccc(Br)c1 ZINC000125542924 823683815 /nfs/dbraw/zinc/68/38/15/823683815.db2.gz SRHYAPRIAMTRLY-GOSISDBHSA-N 1 0 389.268 4.302 20 0 GIADRO CC[NH+]1CCN(Cc2ccc(N[C@H](C)c3cnn(C(C)(C)C)c3C)cc2)CC1 ZINC000191424038 823683857 /nfs/dbraw/zinc/68/38/57/823683857.db2.gz GKIHPGMISUHDAD-GOSISDBHSA-N 1 0 383.584 4.257 20 0 GIADRO COC(=O)[C@@H](C)c1ccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000412804359 823684142 /nfs/dbraw/zinc/68/41/42/823684142.db2.gz DLSGNZBUWFUXBX-KRWDZBQOSA-N 1 0 380.488 4.201 20 0 GIADRO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+](CCOc2ccc3ccccc3c2)C1 ZINC000063627641 823684839 /nfs/dbraw/zinc/68/48/39/823684839.db2.gz YLDDYEQBMIWGGD-GOSISDBHSA-N 1 0 384.520 4.455 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)Cc1csc(-c2ccc(Cl)s2)n1 ZINC000063665178 823687714 /nfs/dbraw/zinc/68/77/14/823687714.db2.gz WAUYBWNXYNCZAB-ZDUSSCGKSA-N 1 0 397.997 4.448 20 0 GIADRO CC(C)N(C)c1ccc(C[NH2+]Cc2cccc(COCC(F)(F)F)c2)cn1 ZINC000191463726 823687946 /nfs/dbraw/zinc/68/79/46/823687946.db2.gz UCCVDYKTCSEKTD-UHFFFAOYSA-N 1 0 381.442 4.295 20 0 GIADRO CCOc1ccccc1NC(=O)[C@H]([NH2+][C@H](C)C1CCOCC1)c1ccccc1 ZINC000125593471 823688152 /nfs/dbraw/zinc/68/81/52/823688152.db2.gz HMSWWHBKZLAMMS-VGOFRKELSA-N 1 0 382.504 4.170 20 0 GIADRO Cc1c2ccccc2oc1[C@@H](C)NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000191468095 823688379 /nfs/dbraw/zinc/68/83/79/823688379.db2.gz ZXMUUFQVFYSNMF-FUHIMQAGSA-N 1 0 381.520 4.461 20 0 GIADRO Cc1ccc(C(=O)c2ccccc2C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)cc1C ZINC000063693896 823689743 /nfs/dbraw/zinc/68/97/43/823689743.db2.gz XTJXTDOOVWNJJP-HXUWFJFHSA-N 1 0 392.543 4.385 20 0 GIADRO CCOc1ccc(-c2nc(C(=O)NC[C@@H]3CCC[N@@H+](C(C)C)C3)cs2)cc1 ZINC000063694379 823689925 /nfs/dbraw/zinc/68/99/25/823689925.db2.gz PWLCEKDBHDUKOA-INIZCTEOSA-N 1 0 387.549 4.059 20 0 GIADRO Cc1ccccc1COc1ccccc1C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000063694099 823689944 /nfs/dbraw/zinc/68/99/44/823689944.db2.gz CYVMCDOIZGSLKO-FQEVSTJZSA-N 1 0 380.532 4.424 20 0 GIADRO COc1ncccc1C[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000191493545 823691077 /nfs/dbraw/zinc/69/10/77/823691077.db2.gz XLGMADCUWLRENZ-SFHVURJKSA-N 1 0 391.309 4.110 20 0 GIADRO Cc1ccc(C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cc1NC(=O)c1ccccc1 ZINC000063722852 823691434 /nfs/dbraw/zinc/69/14/34/823691434.db2.gz ZJYIVIULAOCJDQ-UHFFFAOYSA-N 1 0 393.531 4.194 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(CN3CCCC3=O)cc1)CCS2 ZINC000191498889 823691875 /nfs/dbraw/zinc/69/18/75/823691875.db2.gz LWLAMYHSSIXUPS-HXUWFJFHSA-N 1 0 382.529 4.144 20 0 GIADRO C[C@@H](CNC(=O)c1cc2ccccc2n1Cc1ccccc1F)[NH+]1CCCC1 ZINC000063732671 823692549 /nfs/dbraw/zinc/69/25/49/823692549.db2.gz LIHFNNQROKVHAA-KRWDZBQOSA-N 1 0 379.479 4.043 20 0 GIADRO COc1ccc2c(c1)[C@@H]([NH2+]C1CCN(c3ccccc3OC)CC1)CCS2 ZINC000191506067 823692847 /nfs/dbraw/zinc/69/28/47/823692847.db2.gz MKYPRERYRPQCIY-IBGZPJMESA-N 1 0 384.545 4.499 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)N1CCCC1)CCS2 ZINC000191506397 823692881 /nfs/dbraw/zinc/69/28/81/823692881.db2.gz ASDIROWULYJUJF-NHCUHLMSSA-N 1 0 396.556 4.055 20 0 GIADRO Cc1cc(C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)c(C)n1-c1ccccn1 ZINC000063745491 823693118 /nfs/dbraw/zinc/69/31/18/823693118.db2.gz WUOMOCBLSFHWBO-UHFFFAOYSA-N 1 0 394.563 4.217 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+]C1CCN(C(=O)c3ccc(C)cc3)CC1)CCS2 ZINC000191508385 823693209 /nfs/dbraw/zinc/69/32/09/823693209.db2.gz SMNHGNONEBVASG-OAQYLSRUSA-N 1 0 396.556 4.435 20 0 GIADRO Cc1c(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)cnn1-c1cccc(Cl)c1 ZINC000063758076 823693657 /nfs/dbraw/zinc/69/36/57/823693657.db2.gz NIROYBWYXNYICZ-INIZCTEOSA-N 1 0 388.943 4.219 20 0 GIADRO Cc1noc(C)c1CC[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000191512325 823693820 /nfs/dbraw/zinc/69/38/20/823693820.db2.gz GIOPCYBHPIYIEO-IBGZPJMESA-N 1 0 393.325 4.354 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000063758858 823694006 /nfs/dbraw/zinc/69/40/06/823694006.db2.gz JGIDETSZGWYVTA-IYBDPMFKSA-N 1 0 388.943 4.218 20 0 GIADRO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1cc(-c2ccccc2Cl)on1 ZINC000063771378 823694550 /nfs/dbraw/zinc/69/45/50/823694550.db2.gz BHTVALLBFQZQTP-UHFFFAOYSA-N 1 0 375.900 4.332 20 0 GIADRO CCOc1cc(C[NH2+]Cc2c(C)cc(C)cc2C)ccc1O[C@@H](C)C(=O)N(C)C ZINC000063775938 823695068 /nfs/dbraw/zinc/69/50/68/823695068.db2.gz UFABAJCTMVXBHZ-IBGZPJMESA-N 1 0 398.547 4.156 20 0 GIADRO CCCCN(Cc1ccccc1F)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000063787909 823696042 /nfs/dbraw/zinc/69/60/42/823696042.db2.gz IZSABSMOTFLCFQ-UHFFFAOYSA-N 1 0 398.526 4.197 20 0 GIADRO COc1ccc([C@H](C)[NH2+]Cc2ccc(C)nc2-n2cc(Cl)cn2)cc1OC ZINC000191530732 823696145 /nfs/dbraw/zinc/69/61/45/823696145.db2.gz CKMSDJSQSUEYPM-AWEZNQCLSA-N 1 0 386.883 4.097 20 0 GIADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=S)Nc1ccc(OC(F)(F)F)cc1 ZINC000063791765 823696599 /nfs/dbraw/zinc/69/65/99/823696599.db2.gz NRFZIELBTKJYDM-HZSPNIEDSA-N 1 0 389.487 4.238 20 0 GIADRO Cc1ccc(C[NH2+][C@H](C)c2ccc3c(c2)OCCCO3)c(-n2cc(Cl)cn2)n1 ZINC000191534385 823696691 /nfs/dbraw/zinc/69/66/91/823696691.db2.gz ADMKTFHDONFLDM-OAHLLOKOSA-N 1 0 398.894 4.241 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+][C@H](CO)c1cccc(Br)c1)CCS2 ZINC000191534892 823696871 /nfs/dbraw/zinc/69/68/71/823696871.db2.gz PHSNYCOCKZTSRW-IAGOWNOFSA-N 1 0 394.334 4.318 20 0 GIADRO COC1CCC(CC(=O)N(c2cccc(SC)c2)C2CC[NH+](C)CC2)CC1 ZINC000125692290 823697220 /nfs/dbraw/zinc/69/72/20/823697220.db2.gz WZYPOZWTXFLDKO-UHFFFAOYSA-N 1 0 390.593 4.431 20 0 GIADRO Cc1cncc(C[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)c1 ZINC000191538634 823697563 /nfs/dbraw/zinc/69/75/63/823697563.db2.gz SWPOYWKYZCALJA-LJQANCHMSA-N 1 0 375.310 4.410 20 0 GIADRO COc1ccc(CNC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)cc1F ZINC000063799664 823697968 /nfs/dbraw/zinc/69/79/68/823697968.db2.gz IFWCWSCVDAMTOQ-UHFFFAOYSA-N 1 0 399.510 4.210 20 0 GIADRO Cc1ccc(NC(=O)[C@H](C)N2CCC(OCCc3ccccc3)CC2)c(F)c1 ZINC000125707902 823698643 /nfs/dbraw/zinc/69/86/43/823698643.db2.gz MVGOZUZPNGDMGD-SFHVURJKSA-N 1 0 384.495 4.185 20 0 GIADRO CCN(CCC[NH+](C)C)C(=O)Nc1cc(NC(=O)OC(C)(C)C)ccc1C ZINC000191563858 823700274 /nfs/dbraw/zinc/70/02/74/823700274.db2.gz GDJQAZXKHZEFFB-UHFFFAOYSA-N 1 0 378.517 4.148 20 0 GIADRO COc1cccc(-c2noc([C@H](C)NC3CC[NH+]([C@H]4CCC[C@H](C)C4)CC3)n2)c1 ZINC000191565052 823700548 /nfs/dbraw/zinc/70/05/48/823700548.db2.gz QHPXQIOPXPLRPJ-ZWOKBUDYSA-N 1 0 398.551 4.439 20 0 GIADRO Cc1nc(-c2cccc(Cl)c2)sc1C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000063836370 823700594 /nfs/dbraw/zinc/70/05/94/823700594.db2.gz WJDOLRQUKJUXEU-AWEZNQCLSA-N 1 0 377.941 4.232 20 0 GIADRO CCOC(=O)c1csc(CC[NH2+][C@@H](C)[C@H](C)c2nc3ccccc3s2)n1 ZINC000191565868 823700889 /nfs/dbraw/zinc/70/08/89/823700889.db2.gz ODUJGWPEHRIBTG-STQMWFEESA-N 1 0 389.546 4.254 20 0 GIADRO CCCN(C(=O)c1cc(-c2cc(C)oc2C)nc2onc(C)c21)C1CC[NH2+]CC1 ZINC000163311930 823701062 /nfs/dbraw/zinc/70/10/62/823701062.db2.gz OHPCJAMTOXGZHR-UHFFFAOYSA-N 1 0 396.491 4.012 20 0 GIADRO C[C@@H](NC1CC[NH+](Cc2ccccc2Cl)CC1)c1nc(C(C)(C)C)no1 ZINC000191574329 823702628 /nfs/dbraw/zinc/70/26/28/823702628.db2.gz XQLGVXSHSLVOSK-CQSZACIVSA-N 1 0 376.932 4.336 20 0 GIADRO CC[N@@H+]1CCC[C@H](CNC(=O)C2(c3cccc(C(F)(F)F)c3)CCCC2)C1 ZINC000063852858 823702603 /nfs/dbraw/zinc/70/26/03/823702603.db2.gz YOZKOAXCRLWXFX-MRXNPFEDSA-N 1 0 382.470 4.365 20 0 GIADRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2[nH]c3ccc(Br)cc3c2Cl)C1 ZINC000063853004 823702671 /nfs/dbraw/zinc/70/26/71/823702671.db2.gz MWPQHRQCSOIBBX-NSHDSACASA-N 1 0 398.732 4.046 20 0 GIADRO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2SCc2c(C)noc2C)C1 ZINC000063852856 823702684 /nfs/dbraw/zinc/70/26/84/823702684.db2.gz ZFIYXZGQSSLWCK-QGZVFWFLSA-N 1 0 387.549 4.045 20 0 GIADRO C[C@H](N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000574323502 823702930 /nfs/dbraw/zinc/70/29/30/823702930.db2.gz WRBKJLVFFCJNKW-JVPBZIDWSA-N 1 0 382.895 4.486 20 0 GIADRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cnn(-c3cccc(Cl)c3)c2C(C)C)C1 ZINC000063865545 823703770 /nfs/dbraw/zinc/70/37/70/823703770.db2.gz SHHYMZJJLPKEPV-MRXNPFEDSA-N 1 0 388.943 4.111 20 0 GIADRO COc1cc(OC)cc([C@H]([NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)c2nccn2C)c1 ZINC000125750737 823703831 /nfs/dbraw/zinc/70/38/31/823703831.db2.gz ABRAEAKBQBILQB-DAYGRLMNSA-N 1 0 397.441 4.237 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)NCc2ccc(C3CC3)cc2)CC1 ZINC000191582566 823704199 /nfs/dbraw/zinc/70/41/99/823704199.db2.gz ZNEHODVPKZBBPY-UHFFFAOYSA-N 1 0 377.532 4.370 20 0 GIADRO CO[C@H](c1ccccc1Cl)[C@H](C)NC(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000574341389 823705124 /nfs/dbraw/zinc/70/51/24/823705124.db2.gz FWTXPSUZBQBSAG-JXFKEZNVSA-N 1 0 395.975 4.178 20 0 GIADRO CC(C)[NH+]1CCC(N(C)C(=O)[C@H](C)Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000413095481 823706084 /nfs/dbraw/zinc/70/60/84/823706084.db2.gz RYOFNXWFZMUVAA-OAHLLOKOSA-N 1 0 386.458 4.095 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000125775439 823707556 /nfs/dbraw/zinc/70/75/56/823707556.db2.gz JGMNOHCKGFABIM-UHFFFAOYSA-N 1 0 394.519 4.199 20 0 GIADRO CC(C)CC(=O)N1CCC([NH2+][C@@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000163419265 823707840 /nfs/dbraw/zinc/70/78/40/823707840.db2.gz LXTBPLMCENVTTO-GOSISDBHSA-N 1 0 397.332 4.202 20 0 GIADRO Cc1c([C@H](C)[NH2+]C2CCN(C(=O)CC(C)C)CC2)cnn1-c1ccc(F)cc1 ZINC000163426636 823708491 /nfs/dbraw/zinc/70/84/91/823708491.db2.gz SOSBCCHTNVRETH-INIZCTEOSA-N 1 0 386.515 4.008 20 0 GIADRO COc1cc(C)ccc1Oc1ccc(F)cc1NC(=S)NCCC[NH+](C)C ZINC000063909384 823709289 /nfs/dbraw/zinc/70/92/89/823709289.db2.gz UXLZGSDQFNWCEL-UHFFFAOYSA-N 1 0 391.512 4.173 20 0 GIADRO CCc1ccc([C@@H](CNC(=O)Nc2ccc(NC(=O)C3CC3)cc2)[NH+](C)C)cc1 ZINC000125783378 823709447 /nfs/dbraw/zinc/70/94/47/823709447.db2.gz RTHYTMUCHCGIOR-OAQYLSRUSA-N 1 0 394.519 4.022 20 0 GIADRO CC[C@@H](C[NH2+]C1CCN(CC(F)F)CC1)Oc1cccc(C(F)(F)F)c1 ZINC000163441856 823709719 /nfs/dbraw/zinc/70/97/19/823709719.db2.gz VSVSOPXATWDRMT-HNNXBMFYSA-N 1 0 380.401 4.182 20 0 GIADRO COc1cc(C[NH2+]CCCN2CCN(c3cccc(C)c3)CC2)ccc1SC ZINC000063912355 823710086 /nfs/dbraw/zinc/71/00/86/823710086.db2.gz PZLBJPSCUVJTHY-UHFFFAOYSA-N 1 0 399.604 4.027 20 0 GIADRO CCn1ncc2ccc(NC(=O)N3CCC(CCC[NH+]4CCCC4)CC3)cc21 ZINC000163447190 823710573 /nfs/dbraw/zinc/71/05/73/823710573.db2.gz JECKVBJMCRZNSQ-UHFFFAOYSA-N 1 0 383.540 4.176 20 0 GIADRO COc1cc(OC)c([C@@H](C)[NH2+]C2CCN(C(=O)CC(C)C)CC2)cc1Cl ZINC000163448537 823710992 /nfs/dbraw/zinc/71/09/92/823710992.db2.gz IPFDTZNFCLQWBU-CQSZACIVSA-N 1 0 382.932 4.045 20 0 GIADRO COC(=O)COc1c(C)cc(C[NH2+][C@H]2CCSc3ccc(F)cc32)cc1C ZINC000063916763 823711066 /nfs/dbraw/zinc/71/10/66/823711066.db2.gz IMBDVDKDQINANY-SFHVURJKSA-N 1 0 389.492 4.321 20 0 GIADRO CC[N@@H+]1CCC[C@H](CNCc2cccc(NC(=O)c3ccccc3Cl)c2)C1 ZINC000063917601 823711518 /nfs/dbraw/zinc/71/15/18/823711518.db2.gz HGJDILYJILGPNL-GOSISDBHSA-N 1 0 385.939 4.414 20 0 GIADRO CC[C@@H](C)n1ncc(C(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)c1C1CC1 ZINC000125797316 823712874 /nfs/dbraw/zinc/71/28/74/823712874.db2.gz TWIPLGLFMBMQBI-DNVCBOLYSA-N 1 0 384.524 4.200 20 0 GIADRO CC(C)C[C@@H](CNC(=O)N(C)Cc1cccc(O)c1)[NH2+][C@@H](C)c1ccccc1 ZINC000574376977 823713230 /nfs/dbraw/zinc/71/32/30/823713230.db2.gz SQSPZAQFTMAWFN-RXVVDRJESA-N 1 0 383.536 4.299 20 0 GIADRO Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)N(CC[NH+](C)C)CC(C)C ZINC000125798921 823713452 /nfs/dbraw/zinc/71/34/52/823713452.db2.gz DGVNKDXBPKXLIK-UHFFFAOYSA-N 1 0 396.535 4.299 20 0 GIADRO CC[C@H](CNC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)CC(F)(F)F ZINC000413140770 823714074 /nfs/dbraw/zinc/71/40/74/823714074.db2.gz OXPZQMONSMRNGV-AWEZNQCLSA-N 1 0 389.437 4.068 20 0 GIADRO O=C(N[C@@H](CCc1ccccc1)c1ccccc1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000574383957 823715635 /nfs/dbraw/zinc/71/56/35/823715635.db2.gz XMANUZJSYIXPBZ-UPVQGACJSA-N 1 0 377.532 4.146 20 0 GIADRO Fc1ccc(-n2nc(C[NH+]3CCC(c4ccncc4)CC3)c3c2CCC3)cc1 ZINC000191620190 823715937 /nfs/dbraw/zinc/71/59/37/823715937.db2.gz VARNGOWDKDZTBJ-UHFFFAOYSA-N 1 0 376.479 4.275 20 0 GIADRO Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+]CCC(=O)N1CCCCC1 ZINC000163499850 823716084 /nfs/dbraw/zinc/71/60/84/823716084.db2.gz ITTSYVRLOINWJG-CQSZACIVSA-N 1 0 375.513 4.311 20 0 GIADRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CCCOC[C@@H]3CCCO3)s2)cc1 ZINC000163518616 823717843 /nfs/dbraw/zinc/71/78/43/823717843.db2.gz CSQJDEKZLAGFKU-KXBFYZLASA-N 1 0 390.549 4.363 20 0 GIADRO [NH3+][C@@H](CC(=O)Nc1cccc(COCC(F)(F)C(F)F)c1)c1ccccc1 ZINC000163568961 823723261 /nfs/dbraw/zinc/72/32/61/823723261.db2.gz NITHWCWXFDHJKH-INIZCTEOSA-N 1 0 384.373 4.132 20 0 GIADRO Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+][C@H]1CCN(CC(F)(F)F)C1 ZINC000125835481 823723641 /nfs/dbraw/zinc/72/36/41/823723641.db2.gz ODMSWXVXQWIJGO-BBRMVZONSA-N 1 0 383.483 4.330 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)[C@H]3C[C@H]3c3sccc3C)CC2)cc1 ZINC000163576847 823724338 /nfs/dbraw/zinc/72/43/38/823724338.db2.gz LZXBKLQYCAIHTL-RTWAWAEBSA-N 1 0 398.572 4.197 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@H]2CCc3c2cccc3F)ccc1S(=O)(=O)C(F)F ZINC000163583666 823725200 /nfs/dbraw/zinc/72/52/00/823725200.db2.gz HXDAKPMSWANBLO-ZBEGNZNMSA-N 1 0 399.434 4.169 20 0 GIADRO O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N1CCC[C@@H]1Cc1ccccc1Cl ZINC000574422459 823725145 /nfs/dbraw/zinc/72/51/45/823725145.db2.gz KGUSSHUDOHZPIE-MOPGFXCFSA-N 1 0 392.996 4.091 20 0 GIADRO Oc1cccc2c1CCC[C@H]2[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000191665503 823727528 /nfs/dbraw/zinc/72/75/28/823727528.db2.gz WAZIRDSOPNCZAL-MRXNPFEDSA-N 1 0 390.277 4.093 20 0 GIADRO C[C@@H]1CCN(C(=O)C[N@H+](C)[C@@H]2CCSC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000163611650 823727771 /nfs/dbraw/zinc/72/77/71/823727771.db2.gz JHTWHDPRFWJPMT-MZMPZRCHSA-N 1 0 386.483 4.052 20 0 GIADRO Fc1ccc(OC2CC[NH+](Cc3c[nH]nc3-c3cccc(Cl)c3)CC2)cn1 ZINC000191674284 823729217 /nfs/dbraw/zinc/72/92/17/823729217.db2.gz ZSCOBNUKLZBCFN-UHFFFAOYSA-N 1 0 386.858 4.308 20 0 GIADRO COC(=O)c1ccc(C[NH2+]Cc2cn(Cc3ccccc3)nc2C(C)(C)C)cc1 ZINC000574437883 823729415 /nfs/dbraw/zinc/72/94/15/823729415.db2.gz BCJKFZYCKKHOEX-UHFFFAOYSA-N 1 0 391.515 4.305 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1cccc(OCc2cccnc2)c1)c1ccccc1 ZINC000125856804 823730202 /nfs/dbraw/zinc/73/02/02/823730202.db2.gz RLLGTCKVRJTKKL-JOCHJYFZSA-N 1 0 390.487 4.085 20 0 GIADRO COCC[N@H+](CCC(=O)Nc1ccccc1-c1ccccc1)Cc1cncs1 ZINC000574440737 823730513 /nfs/dbraw/zinc/73/05/13/823730513.db2.gz XTEQTGPALBTSCM-UHFFFAOYSA-N 1 0 395.528 4.287 20 0 GIADRO C[C@H](C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCO1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000413218768 823730668 /nfs/dbraw/zinc/73/06/68/823730668.db2.gz BKWIXKVNNVKVBI-JYYAWHABSA-N 1 0 380.916 4.098 20 0 GIADRO [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)CC3(CCc4ccccc4)CCCC3)CC2)C1 ZINC000574441738 823731245 /nfs/dbraw/zinc/73/12/45/823731245.db2.gz BGDGFTHSJUAYAP-PKTZIBPZSA-N 1 0 398.591 4.315 20 0 GIADRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+][C@H]3CCN(CC(F)(F)F)C3)s2)cc1 ZINC000125864814 823732332 /nfs/dbraw/zinc/73/23/32/823732332.db2.gz KWHIYLGGJOEYFD-DOMZBBRYSA-N 1 0 399.482 4.414 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)N[C@@H]3CCCC[C@@H]3C(F)(F)F)c2)CC1 ZINC000574450111 823733624 /nfs/dbraw/zinc/73/36/24/823733624.db2.gz HIDZDLZKVLDHAQ-ZWKOTPCHSA-N 1 0 398.473 4.071 20 0 GIADRO CCCOCc1ccccc1C[NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000163663358 823734595 /nfs/dbraw/zinc/73/45/95/823734595.db2.gz OTTRLDREBMTCOF-UHFFFAOYSA-N 1 0 381.564 4.438 20 0 GIADRO O=C(Nc1ccccc1NC(=O)N1CCCC1)c1cccc(C[NH+]2CCCC2)c1 ZINC000064026365 823735449 /nfs/dbraw/zinc/73/54/49/823735449.db2.gz NSUUIUJTTHULOC-UHFFFAOYSA-N 1 0 392.503 4.162 20 0 GIADRO CC[C@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc(S(=O)(=O)C(F)F)c(OC)c1 ZINC000163676134 823735326 /nfs/dbraw/zinc/73/53/26/823735326.db2.gz YZQZPNVMZSDZBR-RHSMWYFYSA-N 1 0 397.487 4.363 20 0 GIADRO CC(C)(C)NC(=O)c1cccc(NC(=O)c2cccc(C[NH+]3CCCC3)c2)c1 ZINC000064026498 823735608 /nfs/dbraw/zinc/73/56/08/823735608.db2.gz DPTFFPTXHQVQME-UHFFFAOYSA-N 1 0 379.504 4.063 20 0 GIADRO CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc(S(=O)(=O)C(F)F)c(OC)c1 ZINC000163675772 823735619 /nfs/dbraw/zinc/73/56/19/823735619.db2.gz YZQZPNVMZSDZBR-YOEHRIQHSA-N 1 0 397.487 4.363 20 0 GIADRO Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000125879916 823735652 /nfs/dbraw/zinc/73/56/52/823735652.db2.gz MFBJQLCQKOTGHF-JKSUJKDBSA-N 1 0 378.586 4.294 20 0 GIADRO Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC000461880240 823736054 /nfs/dbraw/zinc/73/60/54/823736054.db2.gz FKQSWQBAVGXWKA-QZTJIDSGSA-N 1 0 399.579 4.172 20 0 GIADRO Clc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(CN3CCOCC3)c1)CCCO2 ZINC000163688410 823737228 /nfs/dbraw/zinc/73/72/28/823737228.db2.gz IOUNKPHQIUAYON-NRFANRHFSA-N 1 0 386.923 4.176 20 0 GIADRO COc1cccc2c1[C@H](c1nc(-c3cccc(C[NH+]4CCCC4)c3)no1)CC2 ZINC000574470056 823738616 /nfs/dbraw/zinc/73/86/16/823738616.db2.gz YXHLSCBQZIEOCQ-LJQANCHMSA-N 1 0 375.472 4.419 20 0 GIADRO C[C@@H]([NH2+][C@H](CN1CCOCC1)c1ccccc1)c1cccc(OC(F)F)c1 ZINC000163700808 823739100 /nfs/dbraw/zinc/73/91/00/823739100.db2.gz LZJZGVKVUOQDOU-OXQOHEQNSA-N 1 0 376.447 4.012 20 0 GIADRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000461887911 823739166 /nfs/dbraw/zinc/73/91/66/823739166.db2.gz GQZNNSQOLJJMSF-IAGOWNOFSA-N 1 0 380.492 4.450 20 0 GIADRO CC1CCC(O)(C[NH2+]Cc2ccc(Br)c(Br)c2)CC1 ZINC000163704435 823739843 /nfs/dbraw/zinc/73/98/43/823739843.db2.gz SMRKUMAQHKXFGK-UHFFFAOYSA-N 1 0 391.147 4.242 20 0 GIADRO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)NC1CC(C(F)(F)F)C1 ZINC000574474471 823740008 /nfs/dbraw/zinc/74/00/08/823740008.db2.gz RMHGGOVIAPKCIO-ZUEPYMLJSA-N 1 0 389.849 4.117 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@H](CN2CCOCC2)c2ccccc2)ccc1SC ZINC000163724957 823742071 /nfs/dbraw/zinc/74/20/71/823742071.db2.gz XQPQBQDSQLZFEO-YLJYHZDGSA-N 1 0 386.561 4.141 20 0 GIADRO CC[C@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)CC(F)(F)F ZINC000413273116 823742674 /nfs/dbraw/zinc/74/26/74/823742674.db2.gz YCCSUTBCFDPTMO-UXDRXVOSSA-N 1 0 397.485 4.460 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)c1cccc(C(F)(F)F)c1 ZINC000163732522 823742758 /nfs/dbraw/zinc/74/27/58/823742758.db2.gz XHTPZPQADAAONK-MRXNPFEDSA-N 1 0 378.438 4.388 20 0 GIADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)[NH2+]CCCc1cnccc1C ZINC000574485192 823744004 /nfs/dbraw/zinc/74/40/04/823744004.db2.gz HPGMYDOCZMUWKX-BEFAXECRSA-N 1 0 377.326 4.451 20 0 GIADRO C[C@@H](O)[C@@](C)(C[NH2+]Cc1ccccc1OCc1cccnc1)Cc1ccccc1 ZINC000191714593 823744737 /nfs/dbraw/zinc/74/47/37/823744737.db2.gz GUKURBBROZCCLH-CJFMBICVSA-N 1 0 390.527 4.380 20 0 GIADRO C[C@H](O)[C@@](C)(C[NH2+]Cc1ccccc1OCc1cccnc1)Cc1ccccc1 ZINC000191714576 823745014 /nfs/dbraw/zinc/74/50/14/823745014.db2.gz GUKURBBROZCCLH-NBGIEHNGSA-N 1 0 390.527 4.380 20 0 GIADRO C[C@H](O)[C@](C)(C[NH2+]Cc1csc(COc2ccccc2)n1)Cc1ccccc1 ZINC000191717053 823745354 /nfs/dbraw/zinc/74/53/54/823745354.db2.gz OXESLKLHVZNLKT-MBSDFSHPSA-N 1 0 396.556 4.442 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)NC[C@H](Cc1ccccc1)C(F)(F)F)c1cccs1 ZINC000574492860 823747294 /nfs/dbraw/zinc/74/72/94/823747294.db2.gz IAGFXCSXPGIELN-JKSUJKDBSA-N 1 0 399.482 4.071 20 0 GIADRO CC[C@@H](Sc1ccccc1)C(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000413305724 823749348 /nfs/dbraw/zinc/74/93/48/823749348.db2.gz VTQZIWFWUSIVCH-JOCHJYFZSA-N 1 0 397.588 4.118 20 0 GIADRO COc1ccc([C@@H]([NH2+][C@H](C)c2ccc(-n3cnnn3)cc2)c2ccc(C)cc2)cc1 ZINC000163789593 823749346 /nfs/dbraw/zinc/74/93/46/823749346.db2.gz UQZDUXWHFLCALT-KOSHJBKYSA-N 1 0 399.498 4.420 20 0 GIADRO Cc1ccc(C)c(OC2CCN(C(=O)Nc3ccc4c(c3)C[NH2+]CC4)CC2)c1 ZINC000574502779 823750475 /nfs/dbraw/zinc/75/04/75/823750475.db2.gz FVHKALFQZKCLCD-UHFFFAOYSA-N 1 0 379.504 4.024 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)Nc1c(C)cccc1F)[NH+]1CCCCC1 ZINC000461914599 823751873 /nfs/dbraw/zinc/75/18/73/823751873.db2.gz QEPKURREXPYOOU-IBGZPJMESA-N 1 0 385.483 4.491 20 0 GIADRO CCN(Cc1occc1C)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000413323191 823752306 /nfs/dbraw/zinc/75/23/06/823752306.db2.gz HRNLNQDFEDFYOQ-QFBILLFUSA-N 1 0 375.538 4.264 20 0 GIADRO CCN(Cc1occc1C)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000413323186 823752429 /nfs/dbraw/zinc/75/24/29/823752429.db2.gz HRNLNQDFEDFYOQ-LPHOPBHVSA-N 1 0 375.538 4.264 20 0 GIADRO CC(=O)Nc1ccc(C[NH+]2CCC(Nc3ncnc4scc(C)c43)CC2)cc1 ZINC000413325477 823752927 /nfs/dbraw/zinc/75/29/27/823752927.db2.gz VRWDGENOHCFMRH-UHFFFAOYSA-N 1 0 395.532 4.035 20 0 GIADRO CC(C)(C)[C@@H](NC(=O)CN1CC[NH+](CC2CCCCC2)CC1)c1cccs1 ZINC000064130415 823752868 /nfs/dbraw/zinc/75/28/68/823752868.db2.gz DGSZNWYEMRVRBA-NRFANRHFSA-N 1 0 391.625 4.149 20 0 GIADRO C[C@H](CC(=O)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000574516740 823754083 /nfs/dbraw/zinc/75/40/83/823754083.db2.gz SOMBIDJFLOKHTP-IIHSZXCVSA-N 1 0 382.470 4.484 20 0 GIADRO CC[C@H]([NH2+][C@@H]1CCN(C(=O)C2CCCC2)C1)c1ccc(Br)cc1 ZINC000125963323 823754919 /nfs/dbraw/zinc/75/49/19/823754919.db2.gz JFKMKSCIVNJRCF-MSOLQXFVSA-N 1 0 379.342 4.281 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@H](C)C(C)(C)c2ccccc2)c1 ZINC000163882195 823756756 /nfs/dbraw/zinc/75/67/56/823756756.db2.gz PEXKRWICRUKLKP-DLBZAZTESA-N 1 0 384.520 4.377 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1cnccc1C(C)(C)C ZINC000413349927 823757022 /nfs/dbraw/zinc/75/70/22/823757022.db2.gz HVAJQDQXENUFPS-XMSQKQJNSA-N 1 0 394.563 4.089 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(C)(C)c1ccccc1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000163891659 823758181 /nfs/dbraw/zinc/75/81/81/823758181.db2.gz UQNPBWMZXRINSY-MSOLQXFVSA-N 1 0 386.561 4.243 20 0 GIADRO CN(C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(-c2ccccc2)nn1 ZINC000125985047 823759874 /nfs/dbraw/zinc/75/98/74/823759874.db2.gz YJSVWTOVMAVDIR-NRFANRHFSA-N 1 0 386.499 4.019 20 0 GIADRO Cn1c2ccccc2nc1[C@@H]([NH2+]C[C@@H](O)CCc1ccccc1)c1ccccc1 ZINC000125988427 823761123 /nfs/dbraw/zinc/76/11/23/823761123.db2.gz NERZNQMNLIAOAH-URXFXBBRSA-N 1 0 385.511 4.246 20 0 GIADRO Cc1cc(N2CC[C@](CO)(c3ccccc3)C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000461931584 823762486 /nfs/dbraw/zinc/76/24/86/823762486.db2.gz OWYMIDMRCAVQRH-QFIPXVFZSA-N 1 0 384.426 4.285 20 0 GIADRO Cc1ccsc1CCCC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000163952451 823764814 /nfs/dbraw/zinc/76/48/14/823764814.db2.gz KGAJXGLJPRSVGD-QGZVFWFLSA-N 1 0 376.591 4.469 20 0 GIADRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)Nc1cc(C2CC2)ccn1 ZINC000574561271 823766996 /nfs/dbraw/zinc/76/69/96/823766996.db2.gz BFXUKOLXKWSVQZ-IAGOWNOFSA-N 1 0 378.520 4.237 20 0 GIADRO C[NH+](C)CC[C@H](NC(=O)N[C@@H]1CCCc2cn(C3CCCC3)nc21)C(C)(C)C ZINC000461948680 823768880 /nfs/dbraw/zinc/76/88/80/823768880.db2.gz SYCRAPBDSAOYRY-MOPGFXCFSA-N 1 0 389.588 4.041 20 0 GIADRO O=C(CC1CC[NH2+]CC1)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000163997089 823769127 /nfs/dbraw/zinc/76/91/27/823769127.db2.gz DOYPRJBASLKOKW-UHFFFAOYSA-N 1 0 377.941 4.045 20 0 GIADRO O=C(C[C@@H]1CCC[N@H+](C[C@H]2CCCCC2(F)F)C1)NCc1ccc(F)cc1 ZINC000574570868 823769170 /nfs/dbraw/zinc/76/91/70/823769170.db2.gz UAQSUQHFXPTAGD-ZWKOTPCHSA-N 1 0 382.470 4.370 20 0 GIADRO CC(C)([NH3+])c1noc(CN[C@@H](c2ccccc2)[C@@H]2CCCc3ccccc32)n1 ZINC000574573201 823770172 /nfs/dbraw/zinc/77/01/72/823770172.db2.gz YJPHFSPGXOLNIW-CTNGQTDRSA-N 1 0 376.504 4.214 20 0 GIADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000126036056 823771170 /nfs/dbraw/zinc/77/11/70/823771170.db2.gz LZXMJHPBGPRNPE-AVRDEDQJSA-N 1 0 378.516 4.115 20 0 GIADRO CCN1CCC([NH+]2CCC(C(=O)N(C)[C@H](C)c3cc4ccccc4o3)CC2)CC1 ZINC000574581138 823771523 /nfs/dbraw/zinc/77/15/23/823771523.db2.gz BBWFHTZTSIXALF-GOSISDBHSA-N 1 0 397.563 4.149 20 0 GIADRO Clc1sccc1CNC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000574586327 823772794 /nfs/dbraw/zinc/77/27/94/823772794.db2.gz BWFRUGDBUYGPDS-IBGZPJMESA-N 1 0 390.980 4.420 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)NCc2ccccc2OC2CCCC2)c1 ZINC000064224456 823773559 /nfs/dbraw/zinc/77/35/59/823773559.db2.gz ZGZAROATQFVGTL-UHFFFAOYSA-N 1 0 395.547 4.459 20 0 GIADRO CC(C)[C@H](c1ccccc1)N(C)C(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000164048831 823773634 /nfs/dbraw/zinc/77/36/34/823773634.db2.gz LLIGYLXOTYECSX-XMMPIXPASA-N 1 0 394.559 4.360 20 0 GIADRO Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000413423395 823774094 /nfs/dbraw/zinc/77/40/94/823774094.db2.gz DSVOENCTKIDXCZ-DEOSSOPVSA-N 1 0 399.538 4.305 20 0 GIADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Cc1cccc(C2CC2)c1 ZINC000413424352 823774592 /nfs/dbraw/zinc/77/45/92/823774592.db2.gz WQXBEJVJTWBBSE-HSZRJFAPSA-N 1 0 377.532 4.015 20 0 GIADRO COCCOCc1ccc(C[NH2+]C[C@@H]2CCCO[C@@H]2c2ccc(C)cc2)cc1 ZINC000574600191 823776590 /nfs/dbraw/zinc/77/65/90/823776590.db2.gz JBXLJAIFAICTLJ-BJKOFHAPSA-N 1 0 383.532 4.416 20 0 GIADRO COc1ccc(CCCNC(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1 ZINC000064236978 823777956 /nfs/dbraw/zinc/77/79/56/823777956.db2.gz MQJUTHUBCAHDLR-QHCPKHFHSA-N 1 0 395.547 4.073 20 0 GIADRO CCCN(CC[NH+](CC)CC)C(=O)Nc1ccc(OC)cc1C(F)(F)F ZINC000461973957 823778202 /nfs/dbraw/zinc/77/82/02/823778202.db2.gz TYAQTGICVMNDRD-UHFFFAOYSA-N 1 0 375.435 4.300 20 0 GIADRO C[C@@H]1CCSCC[N@@H+]1Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000191812471 823778650 /nfs/dbraw/zinc/77/86/50/823778650.db2.gz OIWSOGDUHZNPLC-GOSISDBHSA-N 1 0 378.545 4.321 20 0 GIADRO CC[C@@H](C)Oc1cccc(NC(=O)NC[C@H](c2cccc(OC)c2)[NH+](C)C)c1 ZINC000064240862 823778748 /nfs/dbraw/zinc/77/87/48/823778748.db2.gz JJANBYXMIWGTBY-IIBYNOLFSA-N 1 0 385.508 4.297 20 0 GIADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)Cc2csc(-c3ccc(C)cc3)n2)o1 ZINC000126066926 823778940 /nfs/dbraw/zinc/77/89/40/823778940.db2.gz FOLGPHUGIMKZPL-UHFFFAOYSA-N 1 0 397.544 4.153 20 0 GIADRO CC[N@H+](CCC(=O)Nc1ccc(Br)cc1)[C@H]1CCOC(C)(C)C1 ZINC000574608134 823779631 /nfs/dbraw/zinc/77/96/31/823779631.db2.gz LRKUXWOAXXNVTR-INIZCTEOSA-N 1 0 383.330 4.057 20 0 GIADRO CC(C)[C@H](C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)c1cccnc1 ZINC000164120327 823779832 /nfs/dbraw/zinc/77/98/32/823779832.db2.gz HXVNBORMFSMCRI-FQEVSTJZSA-N 1 0 385.939 4.369 20 0 GIADRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)N1CCC[C@@H]1C1CCCC1 ZINC000064244474 823779833 /nfs/dbraw/zinc/77/98/33/823779833.db2.gz ALVJLIMGARQHTF-HXUWFJFHSA-N 1 0 375.582 4.324 20 0 GIADRO O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)Nc1cccc2c1CCO2 ZINC000574610754 823780898 /nfs/dbraw/zinc/78/08/98/823780898.db2.gz CJNKSYMSFMIYIX-LJQANCHMSA-N 1 0 379.504 4.045 20 0 GIADRO CC(C)[C@@H](C[NH2+][C@H](C)c1ccc(OCc2nccn2C)cc1)c1cccnc1 ZINC000164143126 823781025 /nfs/dbraw/zinc/78/10/25/823781025.db2.gz QLKBTOXNDQCNQL-XMSQKQJNSA-N 1 0 378.520 4.485 20 0 GIADRO CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1)c1cccnc1 ZINC000164142924 823781132 /nfs/dbraw/zinc/78/11/32/823781132.db2.gz QLKBTOXNDQCNQL-PGRDOPGGSA-N 1 0 378.520 4.485 20 0 GIADRO COc1ccccc1-c1cccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000126079545 823781602 /nfs/dbraw/zinc/78/16/02/823781602.db2.gz IHEPEBYJOUUIEP-RXVVDRJESA-N 1 0 379.504 4.310 20 0 GIADRO COc1ccccc1-c1cccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000126079775 823781743 /nfs/dbraw/zinc/78/17/43/823781743.db2.gz IHEPEBYJOUUIEP-NQIIRXRSSA-N 1 0 379.504 4.310 20 0 GIADRO CCC(CC)(CNC(=O)c1cn(C)nc1C1CCC1)[NH2+][C@H](C)c1ccccc1 ZINC000413461443 823782153 /nfs/dbraw/zinc/78/21/53/823782153.db2.gz VNRSXVHRMXMZJC-QGZVFWFLSA-N 1 0 382.552 4.327 20 0 GIADRO O=C(Nc1cc(Cl)ccc1O)C1CC[NH+]([C@@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000574617658 823783023 /nfs/dbraw/zinc/78/30/23/823783023.db2.gz IBDCTVJEJSUHPN-PKOBYXMFSA-N 1 0 388.870 4.391 20 0 GIADRO CCCC[NH+]1CCC(NC(=O)C[C@@H](C)c2ccc(F)c(Br)c2)CC1 ZINC000461986148 823783265 /nfs/dbraw/zinc/78/32/65/823783265.db2.gz SDQJRIOQHGNAGE-CQSZACIVSA-N 1 0 399.348 4.463 20 0 GIADRO Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000574620298 823783664 /nfs/dbraw/zinc/78/36/64/823783664.db2.gz ADFBMHBMUQHDOF-AVCGJXAMSA-N 1 0 392.547 4.251 20 0 GIADRO COc1cccc(COCC[NH2+][C@@H]2CCc3sc(Br)cc32)c1 ZINC000574624012 823784402 /nfs/dbraw/zinc/78/44/02/823784402.db2.gz BHWMYLWASVFQID-OAHLLOKOSA-N 1 0 382.323 4.313 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]C[C@@H](c2cccnc2)C(C)C)cc1Cn1cccn1 ZINC000164186220 823784725 /nfs/dbraw/zinc/78/47/25/823784725.db2.gz OFWZLMLHOPJCOD-XMSQKQJNSA-N 1 0 378.520 4.425 20 0 GIADRO CC[C@@H](C)n1ncc(C(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)c1C1CC1 ZINC000574630673 823786225 /nfs/dbraw/zinc/78/62/25/823786225.db2.gz MQKHMLOGRMTSTJ-VFNWGFHPSA-N 1 0 376.504 4.315 20 0 GIADRO CC(C)[NH+]1CCC(C(=O)Nc2ccc3[nH]c(Cc4ccccc4F)nc3c2)CC1 ZINC000461993195 823786958 /nfs/dbraw/zinc/78/69/58/823786958.db2.gz UFSLFOYFTORREA-UHFFFAOYSA-N 1 0 394.494 4.352 20 0 GIADRO CC(C)c1ccc(C(=O)Nc2sccc2C(=O)NC[C@@H](C2CC2)[NH+](C)C)cc1 ZINC000064300044 823787803 /nfs/dbraw/zinc/78/78/03/823787803.db2.gz LLECJGVUXKXUST-IBGZPJMESA-N 1 0 399.560 4.194 20 0 GIADRO CCn1nccc1C[NH+]1CCC(c2nc(-c3ccccc3OC)cs2)CC1 ZINC000191836514 823791513 /nfs/dbraw/zinc/79/15/13/823791513.db2.gz GFIYKOARXKTZLK-UHFFFAOYSA-N 1 0 382.533 4.415 20 0 GIADRO COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H](CCSC)c2nnc3ccccn32)cc1 ZINC000164277842 823791999 /nfs/dbraw/zinc/79/19/99/823791999.db2.gz BBAQKGWKSNMFCG-GJYPPUQNSA-N 1 0 384.549 4.314 20 0 GIADRO C[C@@H](c1ccccc1F)N1CCC[C@H]([NH2+]Cc2cccc3cccnc32)C1=O ZINC000574655371 823792087 /nfs/dbraw/zinc/79/20/87/823792087.db2.gz VBVYQDYKNMAQNO-KKSFZXQISA-N 1 0 377.463 4.216 20 0 GIADRO C[C@H](c1ccccc1F)N1CCC[C@H]([NH2+]Cc2cccc3cccnc32)C1=O ZINC000574655369 823792102 /nfs/dbraw/zinc/79/21/02/823792102.db2.gz VBVYQDYKNMAQNO-IERDGZPVSA-N 1 0 377.463 4.216 20 0 GIADRO Clc1ccc(Cl)c(-c2csc(CN3CCC4(CC3)OCCO4)n2)c1 ZINC000126117690 823792333 /nfs/dbraw/zinc/79/23/33/823792333.db2.gz VUJGFISQITVGQN-UHFFFAOYSA-N 1 0 385.316 4.456 20 0 GIADRO CC(C)c1c(C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cnn1-c1ccccc1Cl ZINC000191839363 823793000 /nfs/dbraw/zinc/79/30/00/823793000.db2.gz POLWRSKYDXGSLN-MRXNPFEDSA-N 1 0 388.943 4.063 20 0 GIADRO COc1cccc(CNc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)c1OC ZINC000126123480 823793680 /nfs/dbraw/zinc/79/36/80/823793680.db2.gz ZAHQKVDHNOMLML-UHFFFAOYSA-N 1 0 397.519 4.130 20 0 GIADRO CC[C@H](C)[NH2+][C@H](CNC(=O)N(C)Cc1ccc(OC)c(Cl)c1)c1ccco1 ZINC000413537523 823794440 /nfs/dbraw/zinc/79/44/40/823794440.db2.gz WTRHLJUIQDLXBG-WMLDXEAASA-N 1 0 393.915 4.212 20 0 GIADRO CC[NH+]1CCN(c2ccc(C(=O)N(Cc3ccccc3)[C@H](C)C3CC3)cc2)CC1 ZINC000462014913 823795004 /nfs/dbraw/zinc/79/50/04/823795004.db2.gz OFCINCNGYVHMTQ-HXUWFJFHSA-N 1 0 391.559 4.269 20 0 GIADRO Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH+]1CCC2(CC1)OCCO2 ZINC000126132932 823796027 /nfs/dbraw/zinc/79/60/27/823796027.db2.gz ATPIIFVMKSLGFV-UHFFFAOYSA-N 1 0 389.499 4.187 20 0 GIADRO C[C@H]1CN(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)C[C@H](c2ccsc2)O1 ZINC000164349048 823797742 /nfs/dbraw/zinc/79/77/42/823797742.db2.gz WPCYAYGKRYVABZ-LAUBAEHRSA-N 1 0 399.560 4.016 20 0 GIADRO O=C1CCCN1[C@H]1CCCN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)CC1 ZINC000413567885 823798167 /nfs/dbraw/zinc/79/81/67/823798167.db2.gz LIUDADKFGOULLK-HNNXBMFYSA-N 1 0 377.410 4.235 20 0 GIADRO CC[N@H+](CC(=O)NCc1ccc(OC)c(OC)c1)[C@@H](C)c1cc2ccccc2o1 ZINC000064349145 823798579 /nfs/dbraw/zinc/79/85/79/823798579.db2.gz IRUUGBXQOGPBNJ-INIZCTEOSA-N 1 0 396.487 4.149 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)[C@H]2CC(C)(C)Oc3ccccc32)CC1 ZINC000413573276 823798828 /nfs/dbraw/zinc/79/88/28/823798828.db2.gz RVLDLWYOPUVLBK-QFIPXVFZSA-N 1 0 392.543 4.454 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1ccnc(N2CCC[C@H](C)C2)c1 ZINC000462024545 823799360 /nfs/dbraw/zinc/79/93/60/823799360.db2.gz FBHSPEZZEZZWAK-IBGZPJMESA-N 1 0 394.563 4.042 20 0 GIADRO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1c(F)cc(C(F)(F)F)cc1F ZINC000574679460 823799377 /nfs/dbraw/zinc/79/93/77/823799377.db2.gz PAUCRTQDVFUFON-OAHLLOKOSA-N 1 0 398.375 4.378 20 0 GIADRO C[C@H](Oc1ccc(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1)c1ccccc1 ZINC000191867098 823799518 /nfs/dbraw/zinc/79/95/18/823799518.db2.gz CAEUDCPCNDVOEV-PMACEKPBSA-N 1 0 378.516 4.385 20 0 GIADRO COc1ccc([C@@H](CNC(=O)c2c[nH]c3cc(Cl)ccc23)[NH+]2CCCC2)cc1 ZINC000064353990 823799562 /nfs/dbraw/zinc/79/95/62/823799562.db2.gz RHMYFLLXNKPSFJ-OAQYLSRUSA-N 1 0 397.906 4.397 20 0 GIADRO Cc1ccccc1[C@H](OC[C@H](O)C[NH2+]C[C@H](C)c1nccs1)c1ccccc1 ZINC000574685979 823801545 /nfs/dbraw/zinc/80/15/45/823801545.db2.gz IFFRHIAWIRXBRQ-CZTZKLFOSA-N 1 0 396.556 4.312 20 0 GIADRO CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(-n2ccnc2)cc1C ZINC000191876954 823801641 /nfs/dbraw/zinc/80/16/41/823801641.db2.gz WKCJCRVXXMSWRB-UHFFFAOYSA-N 1 0 392.503 4.040 20 0 GIADRO CCCOc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cc1OC ZINC000462029489 823802289 /nfs/dbraw/zinc/80/22/89/823802289.db2.gz DBIASODGGZNYFS-NRFANRHFSA-N 1 0 396.531 4.155 20 0 GIADRO COCCOc1ccc([C@H](C)[NH2+]CCc2c[nH]c3c2cccc3C)cc1OC ZINC000164418687 823802395 /nfs/dbraw/zinc/80/23/95/823802395.db2.gz AWPCQRFONXQPEK-KRWDZBQOSA-N 1 0 382.504 4.403 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)[C@H]3CCCc4c(O)cccc43)C2)s1 ZINC000574697450 823803331 /nfs/dbraw/zinc/80/33/31/823803331.db2.gz JNNDZXKLCAFURP-UTKZUKDTSA-N 1 0 398.572 4.163 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)[C@@H]3CCCc4c(O)cccc43)C2)s1 ZINC000574697449 823803375 /nfs/dbraw/zinc/80/33/75/823803375.db2.gz JNNDZXKLCAFURP-LAUBAEHRSA-N 1 0 398.572 4.163 20 0 GIADRO CN(Cc1nc2c(s1)CCCC2)C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000164448746 823803426 /nfs/dbraw/zinc/80/34/26/823803426.db2.gz HJDIAYJJEQRLSQ-UHFFFAOYSA-N 1 0 397.588 4.283 20 0 GIADRO O=C(N[C@H]1CC[C@@H](c2ccc(Cl)cc2)C1)NC1CC[NH+](C2CCC2)CC1 ZINC000413620540 823804350 /nfs/dbraw/zinc/80/43/50/823804350.db2.gz XJZCFEYQBIAPTD-APWZRJJASA-N 1 0 375.944 4.292 20 0 GIADRO Cc1ccc(C[NH2+]CCc2cn(C)c3cc(F)ccc23)c(-c2cnn(C)c2)c1 ZINC000574707141 823805275 /nfs/dbraw/zinc/80/52/75/823805275.db2.gz WSYOGDBYUVUPNU-UHFFFAOYSA-N 1 0 376.479 4.359 20 0 GIADRO c1oc(-c2ccccc2)nc1CN1CCC(Nc2cc[nH+]c3ccccc23)CC1 ZINC000574713411 823806284 /nfs/dbraw/zinc/80/62/84/823806284.db2.gz IZWUJYLNAQMDKK-UHFFFAOYSA-N 1 0 384.483 4.388 20 0 GIADRO CCC1(CNC(=O)c2cn(C)nc2C2CCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000413637256 823807254 /nfs/dbraw/zinc/80/72/54/823807254.db2.gz GXACYCHWIVKSBT-UHFFFAOYSA-N 1 0 394.563 4.110 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000164546159 823808421 /nfs/dbraw/zinc/80/84/21/823808421.db2.gz ABMCSMDETXJAQW-CZUORRHYSA-N 1 0 388.537 4.174 20 0 GIADRO COC(=O)C[C@@](C)([NH2+]Cc1cccc(Oc2ccccc2)c1)c1ccncc1 ZINC000191905014 823808849 /nfs/dbraw/zinc/80/88/49/823808849.db2.gz CCGSXQMXKZPVIS-HSZRJFAPSA-N 1 0 376.456 4.442 20 0 GIADRO Cc1cccc(N2CC[NH+](CCC(=O)N[C@@H](C)c3ccc(Cl)cc3)CC2)c1 ZINC000462043210 823809186 /nfs/dbraw/zinc/80/91/86/823809186.db2.gz CJEQUYBWPSVHFX-SFHVURJKSA-N 1 0 385.939 4.038 20 0 GIADRO C[NH+](C)CCN(Cc1ccccc1)C(=O)N[C@H]1CCc2sc(Cl)cc21 ZINC000462044211 823809740 /nfs/dbraw/zinc/80/97/40/823809740.db2.gz IHKPBRHFJVKFSS-INIZCTEOSA-N 1 0 377.941 4.162 20 0 GIADRO C[NH+]1CCN(Cc2cccc(C(=O)Nc3ccc4c(c3)Cc3ccccc3-4)c2)CC1 ZINC000462047230 823811345 /nfs/dbraw/zinc/81/13/45/823811345.db2.gz NULZPMYDMFENTL-UHFFFAOYSA-N 1 0 397.522 4.258 20 0 GIADRO COc1ccc(C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(OC(C)C)c1 ZINC000191924589 823812669 /nfs/dbraw/zinc/81/26/69/823812669.db2.gz NYJFJQYAXPIALQ-FQEVSTJZSA-N 1 0 396.531 4.077 20 0 GIADRO COc1ccc(CNC(=O)C[NH2+]Cc2c3ccccc3cc3ccccc32)cc1 ZINC000064411068 823813053 /nfs/dbraw/zinc/81/30/53/823813053.db2.gz OBRJLAXVPIGZTP-UHFFFAOYSA-N 1 0 384.479 4.408 20 0 GIADRO CCN(CC)C(=O)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000064411465 823813282 /nfs/dbraw/zinc/81/32/82/823813282.db2.gz PMULEBLIRUFISQ-UHFFFAOYSA-N 1 0 396.922 4.151 20 0 GIADRO COc1ccc(CNC(=O)C[NH2+]Cc2ccc(-c3ccc(C)cc3)s2)cc1 ZINC000064410787 823813335 /nfs/dbraw/zinc/81/33/35/823813335.db2.gz IAQGAIVCFYYFMU-UHFFFAOYSA-N 1 0 380.513 4.138 20 0 GIADRO O=C(Nc1ccc(C2CCC2)cn1)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000574732454 823813466 /nfs/dbraw/zinc/81/34/66/823813466.db2.gz OQXVIEVBEARNMZ-UHFFFAOYSA-N 1 0 396.457 4.276 20 0 GIADRO CC1(C(=O)N2CCc3c(F)ccc(F)c3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000164641425 823814227 /nfs/dbraw/zinc/81/42/27/823814227.db2.gz HKXASDGDMAJQFS-UHFFFAOYSA-N 1 0 384.470 4.152 20 0 GIADRO Cc1nccn1CCCC[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000164710075 823816695 /nfs/dbraw/zinc/81/66/95/823816695.db2.gz QFIWZDYUNYQVAP-UHFFFAOYSA-N 1 0 378.923 4.018 20 0 GIADRO CN(C(=O)N[C@@H]1CCc2sc(Cl)cc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000462061301 823816974 /nfs/dbraw/zinc/81/69/74/823816974.db2.gz QLUHNDCOEXGOQE-DOTOQJQBSA-N 1 0 389.952 4.305 20 0 GIADRO CCOc1cc(C[N@H+](C)Cc2ccc3c(c2)OCCO3)ccc1OC(F)F ZINC000064432003 823818161 /nfs/dbraw/zinc/81/81/61/823818161.db2.gz VBLUVARAVQERJH-UHFFFAOYSA-N 1 0 379.403 4.090 20 0 GIADRO CCOc1ccccc1Oc1ccc(CNC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])cn1 ZINC000164754444 823818659 /nfs/dbraw/zinc/81/86/59/823818659.db2.gz XYDISMCBOVBRKB-RTBURBONSA-N 1 0 397.519 4.187 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCc2cnccc2C(C)(C)C)C1 ZINC000413693633 823819073 /nfs/dbraw/zinc/81/90/73/823819073.db2.gz LQMHVCBZOKFKSL-RTBURBONSA-N 1 0 386.584 4.175 20 0 GIADRO Cn1c(CN[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)nc2cc(Cl)ccc21 ZINC000574755755 823819143 /nfs/dbraw/zinc/81/91/43/823819143.db2.gz DCUMUNCHESAZAY-KRWDZBQOSA-N 1 0 377.319 4.273 20 0 GIADRO CCCOc1c(Cl)cc(C[NH2+]CCc2c(C)nn(C)c2C)cc1OCC ZINC000126241164 823819269 /nfs/dbraw/zinc/81/92/69/823819269.db2.gz NGHMLNCBZSYBIW-UHFFFAOYSA-N 1 0 379.932 4.210 20 0 GIADRO [NH3+]Cc1cc(NC(=O)CCc2cccc(OC(F)F)c2)cc(C(F)(F)F)c1 ZINC000574755949 823819352 /nfs/dbraw/zinc/81/93/52/823819352.db2.gz ASGUPNAMPKKNHT-UHFFFAOYSA-N 1 0 388.336 4.337 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)Nc2cc3c(cc2Cl)OCO3)CC1 ZINC000126246006 823820239 /nfs/dbraw/zinc/82/02/39/823820239.db2.gz RYXMQOFECYQQRZ-UHFFFAOYSA-N 1 0 381.904 4.045 20 0 GIADRO Cc1occc1C(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000064447862 823820326 /nfs/dbraw/zinc/82/03/26/823820326.db2.gz UURJBQVWVDAFJS-UHFFFAOYSA-N 1 0 380.410 4.343 20 0 GIADRO Cc1cccnc1-c1nnc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)n1C1CC1 ZINC000574764370 823820901 /nfs/dbraw/zinc/82/09/01/823820901.db2.gz ZANLJTZCYGVBRD-LJQANCHMSA-N 1 0 394.567 4.076 20 0 GIADRO Cc1nn(CN2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c(=S)n1C1CC1 ZINC000164816319 823821034 /nfs/dbraw/zinc/82/10/34/823821034.db2.gz ZTSWORCRZJRISM-TZIWHRDSSA-N 1 0 397.592 4.001 20 0 GIADRO CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3cc4cc(OC)ccc4o3)ccc2NC1=O ZINC000126261883 823823381 /nfs/dbraw/zinc/82/33/81/823823381.db2.gz JXCWNSFFDPIFSW-ORAYPTAESA-N 1 0 380.444 4.402 20 0 GIADRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)COc1ccsc1Cl ZINC000574775779 823823732 /nfs/dbraw/zinc/82/37/32/823823732.db2.gz GQQIFYBKQBBELM-UHFFFAOYSA-N 1 0 396.965 4.276 20 0 GIADRO COc1cc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)cc(Cl)c1OCC(C)C ZINC000574778368 823824143 /nfs/dbraw/zinc/82/41/43/823824143.db2.gz HXBXBWHYMWNWGZ-RDJZCZTQSA-N 1 0 394.943 4.082 20 0 GIADRO FC(F)Oc1cc(C[NH2+][C@@H]2CCCOc3c(Br)cccc32)ccn1 ZINC000574777532 823824202 /nfs/dbraw/zinc/82/42/02/823824202.db2.gz RKBZZFIIYLZKBR-CQSZACIVSA-N 1 0 399.235 4.449 20 0 GIADRO COc1cc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)cc(Cl)c1OCC(C)C ZINC000574778367 823824228 /nfs/dbraw/zinc/82/42/28/823824228.db2.gz HXBXBWHYMWNWGZ-NVXWUHKLSA-N 1 0 394.943 4.082 20 0 GIADRO Cc1cc(-c2cccc(F)c2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000462092508 823825982 /nfs/dbraw/zinc/82/59/82/823825982.db2.gz PWABJFJBPGBKHX-UHFFFAOYSA-N 1 0 394.469 4.443 20 0 GIADRO Cc1nccc(N2CC[NH+](Cc3ccc(-c4ccccc4Cl)s3)CC2)n1 ZINC000462095941 823826578 /nfs/dbraw/zinc/82/65/78/823826578.db2.gz XXCZZKIHAUNUDO-UHFFFAOYSA-N 1 0 384.936 4.489 20 0 GIADRO CCC[C@]1(CO)CC[N@H+](Cc2c(C)nn(Cc3ccc(Cl)cc3)c2C)C1 ZINC000574788417 823826694 /nfs/dbraw/zinc/82/66/94/823826694.db2.gz BAMSERCRNGDSDP-NRFANRHFSA-N 1 0 375.944 4.186 20 0 GIADRO O=C(N[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1)N1CCC([NH+]2CCCC2)CC1 ZINC000413727244 823826681 /nfs/dbraw/zinc/82/66/81/823826681.db2.gz WVWLNDBHUHJGLG-PKOBYXMFSA-N 1 0 375.944 4.246 20 0 GIADRO C[C@@H](CSCc1ccccc1)C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000126278842 823827536 /nfs/dbraw/zinc/82/75/36/823827536.db2.gz ZDEWKJVYSQIBQS-IBGZPJMESA-N 1 0 397.588 4.326 20 0 GIADRO COc1ccc2[nH]cc(C3CC[NH+](CC(=O)N(C4CC4)C4CCCC4)CC3)c2c1 ZINC000064483110 823828407 /nfs/dbraw/zinc/82/84/07/823828407.db2.gz DEWRODDMEUZVDN-UHFFFAOYSA-N 1 0 395.547 4.290 20 0 GIADRO O=C(CC[N@@H+](Cc1ccco1)C[C@@H]1CCCO1)Nc1ccc(Cl)cc1F ZINC000064482477 823828523 /nfs/dbraw/zinc/82/85/23/823828523.db2.gz NNVPQOSMCBATGH-INIZCTEOSA-N 1 0 380.847 4.082 20 0 GIADRO C[C@H](CNC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1)CC(F)(F)F ZINC000413739239 823829187 /nfs/dbraw/zinc/82/91/87/823829187.db2.gz BEWMYKWWHLBQBX-HOTGVXAUSA-N 1 0 377.495 4.261 20 0 GIADRO Cc1nccn1CCC[N@@H+](C)Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000574797013 823829395 /nfs/dbraw/zinc/82/93/95/823829395.db2.gz QDEFUEMMQPWYQT-UHFFFAOYSA-N 1 0 390.247 4.495 20 0 GIADRO Cc1csc(C(=O)NCc2ccccc2C[NH+]2CCCC2)c1Br ZINC000191978378 823829532 /nfs/dbraw/zinc/82/95/32/823829532.db2.gz FMRHOOPLLFWJHV-UHFFFAOYSA-N 1 0 393.350 4.345 20 0 GIADRO c1csc(-c2noc(CCC[NH2+][C@H]3c4ccccc4CC34CCOCC4)n2)c1 ZINC000574798043 823829941 /nfs/dbraw/zinc/82/99/41/823829941.db2.gz BESYXAXCBTWPOZ-FQEVSTJZSA-N 1 0 395.528 4.415 20 0 GIADRO CC[N@H+](CC(=O)Nc1cccc(-c2csc(C)n2)c1)[C@H]1CCOC(C)(C)C1 ZINC000574798561 823830406 /nfs/dbraw/zinc/83/04/06/823830406.db2.gz RCJSOAPEZUIYDI-SFHVURJKSA-N 1 0 387.549 4.337 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)c(OC)c1 ZINC000165028871 823830557 /nfs/dbraw/zinc/83/05/57/823830557.db2.gz FQKHWGBQOCQLGG-MRXNPFEDSA-N 1 0 394.471 4.078 20 0 GIADRO C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000165040686 823830907 /nfs/dbraw/zinc/83/09/07/823830907.db2.gz FQRJFECFRRPOEP-IVZQSRNASA-N 1 0 378.447 4.372 20 0 GIADRO Cc1nc(CC(C)C)c(C(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000126292629 823831790 /nfs/dbraw/zinc/83/17/90/823831790.db2.gz NXJRZKGQOQRXAO-UHFFFAOYSA-N 1 0 386.565 4.034 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)Nc1ccc2nc(C)oc2c1)[NH+]1CCCC1 ZINC000126291073 823831901 /nfs/dbraw/zinc/83/19/01/823831901.db2.gz RGKMQDZOIASYIT-LJQANCHMSA-N 1 0 394.475 4.103 20 0 GIADRO CO[C@H](C)c1nc(C[NH2+][C@@H]2CCc3cc(Br)ccc3C2)cs1 ZINC000462115028 823832727 /nfs/dbraw/zinc/83/27/27/823832727.db2.gz BLRNGADUJYFNKK-IAQYHMDHSA-N 1 0 381.339 4.260 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CCc2cccc(C(=O)N(C)C)c2)c2ccccc12 ZINC000165104442 823834063 /nfs/dbraw/zinc/83/40/63/823834063.db2.gz VCSLORRGRSEATL-QGZVFWFLSA-N 1 0 376.500 4.444 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CCc2cccc(C(=O)N(C)C)c2)c2ccccc12 ZINC000165104325 823834185 /nfs/dbraw/zinc/83/41/85/823834185.db2.gz VCSLORRGRSEATL-KRWDZBQOSA-N 1 0 376.500 4.444 20 0 GIADRO CCOC(=O)C1CCN(c2c(C)c(C)[nH+]c3ccc(Br)cc32)CC1 ZINC000462119871 823835066 /nfs/dbraw/zinc/83/50/66/823835066.db2.gz ZCZAHQGJQAFKDH-UHFFFAOYSA-N 1 0 391.309 4.394 20 0 GIADRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)C1(c2cccc(F)c2)CCC1 ZINC000064521614 823835361 /nfs/dbraw/zinc/83/53/61/823835361.db2.gz JUEWWNHBIGQTJV-KRWDZBQOSA-N 1 0 386.536 4.337 20 0 GIADRO Cc1ccc(-c2cc(C(=O)NC[C@@H]3CCC[N@H+](Cc4cccs4)C3)on2)cc1 ZINC000064521472 823835455 /nfs/dbraw/zinc/83/54/55/823835455.db2.gz HBHDVTUZPBLRLK-KRWDZBQOSA-N 1 0 395.528 4.354 20 0 GIADRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccccc1C(F)(F)F ZINC000064521700 823835562 /nfs/dbraw/zinc/83/55/62/823835562.db2.gz RKMZLZWMLRRZTJ-CQSZACIVSA-N 1 0 382.451 4.409 20 0 GIADRO Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000192018619 823835783 /nfs/dbraw/zinc/83/57/83/823835783.db2.gz CISVZEVDYDTPIZ-QWHCGFSZSA-N 1 0 393.409 4.188 20 0 GIADRO CSc1cc(O)ccc1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000574830761 823836456 /nfs/dbraw/zinc/83/64/56/823836456.db2.gz YIQDMHWLOIRHFR-MRXNPFEDSA-N 1 0 392.471 4.210 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1F ZINC000192025190 823836726 /nfs/dbraw/zinc/83/67/26/823836726.db2.gz ORIZDINKGIRGJG-UZCIPKQKSA-N 1 0 380.822 4.065 20 0 GIADRO Cc1cc(Br)c(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)cc1Cl ZINC000574832916 823837012 /nfs/dbraw/zinc/83/70/12/823837012.db2.gz WJXAJVPGEUPQPV-LRDDRELGSA-N 1 0 385.733 4.110 20 0 GIADRO Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000192030359 823837119 /nfs/dbraw/zinc/83/71/19/823837119.db2.gz POOUBSXFDCWGEL-UHFFFAOYSA-N 1 0 377.332 4.497 20 0 GIADRO C[C@@H](CNC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000192031064 823837766 /nfs/dbraw/zinc/83/77/66/823837766.db2.gz IGXVCUQGPNPOES-LVNJIZSUSA-N 1 0 386.923 4.068 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000192038376 823840280 /nfs/dbraw/zinc/84/02/80/823840280.db2.gz WTRUUWWUZVBBAD-DNVCBOLYSA-N 1 0 395.286 4.060 20 0 GIADRO Cc1nc(-c2cccc(NC(=O)N3CCC[N@H+](CC4CCCCC4)CC3)c2)no1 ZINC000064544536 823840768 /nfs/dbraw/zinc/84/07/68/823840768.db2.gz QRZNESFOFALPAL-UHFFFAOYSA-N 1 0 397.523 4.165 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1cccc(-c2noc(C)n2)c1 ZINC000064545262 823840945 /nfs/dbraw/zinc/84/09/45/823840945.db2.gz WBMAMYSDNJPZSS-UHFFFAOYSA-N 1 0 393.491 4.209 20 0 GIADRO COc1cc(C[N@@H+]2CC[C@@H](COC(F)F)C2)ccc1OCc1ccccc1 ZINC000574846322 823841398 /nfs/dbraw/zinc/84/13/98/823841398.db2.gz NXKCGQGLOLWNNX-GOSISDBHSA-N 1 0 377.431 4.335 20 0 GIADRO CC(C)(C)C(=O)N1CCC(C[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000192044456 823842610 /nfs/dbraw/zinc/84/26/10/823842610.db2.gz LUWBPGCKFRUFGI-RBUKOAKNSA-N 1 0 378.944 4.044 20 0 GIADRO Cc1c(Cl)cccc1NC(=O)C[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000192045160 823842946 /nfs/dbraw/zinc/84/29/46/823842946.db2.gz VMDDRYWVVGWQLT-HKUYNNGSSA-N 1 0 379.287 4.360 20 0 GIADRO O=C(NCc1ccc(OC(F)F)c(F)c1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000574851854 823843114 /nfs/dbraw/zinc/84/31/14/823843114.db2.gz NNIVYUJRUDCBGN-UHFFFAOYSA-N 1 0 399.457 4.023 20 0 GIADRO COc1cc([C@@H](C)[NH2+]Cc2ccc(-n3ccnc3C)nc2)ccc1OC(F)F ZINC000126344055 823844809 /nfs/dbraw/zinc/84/48/09/823844809.db2.gz ZEFPOTHHZMOHIZ-CYBMUJFWSA-N 1 0 388.418 4.037 20 0 GIADRO CC[N@@H+]1CCCN(Cc2csc(N(C(C)=O)c3cccc(Cl)c3)n2)CC1 ZINC000165354002 823845116 /nfs/dbraw/zinc/84/51/16/823845116.db2.gz WUPLVILRFJYNIB-UHFFFAOYSA-N 1 0 392.956 4.009 20 0 GIADRO Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000192057842 823846167 /nfs/dbraw/zinc/84/61/67/823846167.db2.gz PLIBZVGZXFNHKE-VQIMIIECSA-N 1 0 379.287 4.360 20 0 GIADRO CSc1ccc(NC(=O)C[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000192058226 823846724 /nfs/dbraw/zinc/84/67/24/823846724.db2.gz XKLLNSDJCBONEH-PKOBYXMFSA-N 1 0 376.909 4.120 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCc2c1cc(Br)cc2F)c1ccc(NC(N)=O)cc1 ZINC000165405546 823847736 /nfs/dbraw/zinc/84/77/36/823847736.db2.gz SVDMCMFHBMUXIC-QGHHPUGFSA-N 1 0 392.272 4.417 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1cccc(NC(C)=O)c1C)c1ccccc1 ZINC000126357919 823847863 /nfs/dbraw/zinc/84/78/63/823847863.db2.gz YXBIIZBKMPDLAZ-NRFANRHFSA-N 1 0 382.508 4.158 20 0 GIADRO C[C@@H]([NH2+]C1CCN(Cc2ccc(F)cc2)CC1)c1ccc2c(c1)OCCCO2 ZINC000165395528 823847860 /nfs/dbraw/zinc/84/78/60/823847860.db2.gz AMPITLSCSOSAKA-QGZVFWFLSA-N 1 0 384.495 4.302 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@@H]1C[C@H]1c1cccc(OC)c1 ZINC000413838461 823848121 /nfs/dbraw/zinc/84/81/21/823848121.db2.gz TXUQUHCMUQACGR-GMAHTHKFSA-N 1 0 395.547 4.092 20 0 GIADRO Cc1c(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cccc1-c1ccccn1 ZINC000462160501 823849137 /nfs/dbraw/zinc/84/91/37/823849137.db2.gz UYBOWMGCAZEVEL-HOYKHHGWSA-N 1 0 385.511 4.307 20 0 GIADRO CCCN(Cc1csc(N(C(C)=O)c2cccc(Cl)c2)n1)[C@@H]1CC[NH2+]C1 ZINC000574876812 823849514 /nfs/dbraw/zinc/84/95/14/823849514.db2.gz HNRTXFKOXIABEO-GOSISDBHSA-N 1 0 392.956 4.055 20 0 GIADRO Cc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000192069863 823849961 /nfs/dbraw/zinc/84/99/61/823849961.db2.gz KCFQDYSUBGCVDL-MJXNMMHHSA-N 1 0 376.859 4.234 20 0 GIADRO Cc1sc(NC(=O)C[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)cc2)c(C)c1C ZINC000192068520 823850013 /nfs/dbraw/zinc/85/00/13/823850013.db2.gz ULBDNSVSDDWVNY-FUHWJXTLSA-N 1 0 378.925 4.385 20 0 GIADRO C[C@H](C(=O)N(CC[NH+](C)C)Cc1cccs1)c1cccc(Br)c1 ZINC000462167853 823851576 /nfs/dbraw/zinc/85/15/76/823851576.db2.gz COEXSHOBVORCCD-AWEZNQCLSA-N 1 0 395.366 4.205 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(Cl)nc1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000165515757 823851726 /nfs/dbraw/zinc/85/17/26/823851726.db2.gz CQFSKICGPHGEBD-CQSZACIVSA-N 1 0 378.925 4.302 20 0 GIADRO C[C@H](Cc1ccccc1Cl)C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000126376152 823851813 /nfs/dbraw/zinc/85/18/13/823851813.db2.gz IXRQGGZQDVXDEQ-QGZVFWFLSA-N 1 0 385.939 4.289 20 0 GIADRO Cc1cnn(C)c1C(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000413860115 823852034 /nfs/dbraw/zinc/85/20/34/823852034.db2.gz MEZHIDKMTBROPQ-QFIPXVFZSA-N 1 0 394.563 4.026 20 0 GIADRO Cc1cccc([C@@H](O)C[N@@H+](Cc2ccccc2)C[C@@H]2CC3(CCC3)C(=O)O2)c1 ZINC000192077905 823852856 /nfs/dbraw/zinc/85/28/56/823852856.db2.gz XYMJTVVRCMTFIO-VXKWHMMOSA-N 1 0 379.500 4.016 20 0 GIADRO O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)N[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000462172900 823853425 /nfs/dbraw/zinc/85/34/25/823853425.db2.gz ZHYBZGZDAXWLTK-XPWALMASSA-N 1 0 399.579 4.251 20 0 GIADRO O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)N[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000462172897 823853510 /nfs/dbraw/zinc/85/35/10/823853510.db2.gz ZHYBZGZDAXWLTK-RJGXRXQPSA-N 1 0 399.579 4.251 20 0 GIADRO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000574892538 823853637 /nfs/dbraw/zinc/85/36/37/823853637.db2.gz ITKCIWNDIAKYME-FDDCHVKYSA-N 1 0 394.515 4.270 20 0 GIADRO Cc1cc(NC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)n(C(C)(C)C)n1 ZINC000064624030 823853994 /nfs/dbraw/zinc/85/39/94/823853994.db2.gz NEKVGEDTXLNRTF-INIZCTEOSA-N 1 0 389.569 4.042 20 0 GIADRO COc1cc(NC(=O)CC[NH2+][C@H]2CCc3cc(F)ccc32)c(OC)cc1Cl ZINC000574895740 823854794 /nfs/dbraw/zinc/85/47/94/823854794.db2.gz CXHVFGSIECUMRR-INIZCTEOSA-N 1 0 392.858 4.102 20 0 GIADRO CSc1cccnc1-c1noc([C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)n1 ZINC000574896490 823854849 /nfs/dbraw/zinc/85/48/49/823854849.db2.gz HCOBYXGHXSCHHD-OAHLLOKOSA-N 1 0 384.480 4.372 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCCc3ccccc32)c1 ZINC000126399963 823857581 /nfs/dbraw/zinc/85/75/81/823857581.db2.gz XKSUKOARBAZDNC-AEFFLSMTSA-N 1 0 382.504 4.131 20 0 GIADRO C[NH+](C)Cc1ccsc1C(=O)N1CC(Cc2ccccc2)(c2ccccc2)C1 ZINC000413882656 823857617 /nfs/dbraw/zinc/85/76/17/823857617.db2.gz QFCZDYRIMQGVIP-UHFFFAOYSA-N 1 0 390.552 4.446 20 0 GIADRO O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000574904602 823857798 /nfs/dbraw/zinc/85/77/98/823857798.db2.gz LNCGJZGGCIBTMS-QFIPXVFZSA-N 1 0 376.460 4.102 20 0 GIADRO CC1(C(=O)Oc2cccc(N3CCCC3=O)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000192094537 823858284 /nfs/dbraw/zinc/85/82/84/823858284.db2.gz WJZWBVSOSVNWLA-UHFFFAOYSA-N 1 0 392.499 4.021 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C[C@@H](C)c2ccc(F)c(Br)c2)C1 ZINC000462188613 823860834 /nfs/dbraw/zinc/86/08/34/823860834.db2.gz ODWVYDRNBMLVIF-CABCVRRESA-N 1 0 399.348 4.272 20 0 GIADRO Cc1ccc(F)cc1NC(=O)[C@H](C)[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000192103797 823860950 /nfs/dbraw/zinc/86/09/50/823860950.db2.gz YGRZTDTUPDTXTR-OYYNGEPBSA-N 1 0 394.849 4.373 20 0 GIADRO Cc1ccc(-n2cc(C(=O)N3CCC(CC[NH3+])CC3)c(-c3ccccc3)n2)cc1 ZINC000574923907 823861263 /nfs/dbraw/zinc/86/12/63/823861263.db2.gz HJDCCINEWMIMOB-UHFFFAOYSA-N 1 0 388.515 4.049 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)[C@H]2CCCC[C@H]2C(F)(F)F)c(F)c1 ZINC000413895925 823861866 /nfs/dbraw/zinc/86/18/66/823861866.db2.gz AWFXEXCECGQNBE-UONOGXRCSA-N 1 0 376.394 4.073 20 0 GIADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)N(c2ccccc2)c2ccccc2)CC1 ZINC000574928282 823861733 /nfs/dbraw/zinc/86/17/33/823861733.db2.gz PJUHSYNMZHKJOF-FCHUYYIVSA-N 1 0 379.504 4.163 20 0 GIADRO COc1cc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cc(OC)c1C(C)C ZINC000462190304 823861813 /nfs/dbraw/zinc/86/18/13/823861813.db2.gz QEZACYZAJLKANM-PXNSSMCTSA-N 1 0 396.531 4.078 20 0 GIADRO Cc1cccc2c(CCC(=O)Nc3ccc(OCC[NH+](C)C)cc3F)c[nH]c21 ZINC000413898899 823862225 /nfs/dbraw/zinc/86/22/25/823862225.db2.gz HSSYTUNQMTYBOC-UHFFFAOYSA-N 1 0 383.467 4.127 20 0 GIADRO C[C@@H](NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)c1cccc(F)c1F ZINC000165755737 823862353 /nfs/dbraw/zinc/86/23/53/823862353.db2.gz SCSSXXOAVRIJSM-MRXNPFEDSA-N 1 0 387.474 4.332 20 0 GIADRO C[C@H](NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)c1cccc(F)c1F ZINC000165755617 823862425 /nfs/dbraw/zinc/86/24/25/823862425.db2.gz SCSSXXOAVRIJSM-INIZCTEOSA-N 1 0 387.474 4.332 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)c2scnc2C2CCCC2)c(F)c1 ZINC000413902235 823863133 /nfs/dbraw/zinc/86/31/33/823863133.db2.gz OIEDYOXIALLJDE-UHFFFAOYSA-N 1 0 377.485 4.133 20 0 GIADRO C[C@H](CC(=O)Nc1ccc(OCC[NH+](C)C)cc1F)c1ccc(F)cc1F ZINC000413903460 823863646 /nfs/dbraw/zinc/86/36/46/823863646.db2.gz QWEOCPZXVYWERE-CYBMUJFWSA-N 1 0 380.410 4.177 20 0 GIADRO O=C(C[NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)Nc1cccc2ccccc21 ZINC000192111292 823863776 /nfs/dbraw/zinc/86/37/76/823863776.db2.gz VUNFUCAWAKMWCP-RBBKRZOGSA-N 1 0 382.410 4.176 20 0 GIADRO Cc1onc(-c2ccccc2)c1C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000126429144 823864545 /nfs/dbraw/zinc/86/45/45/823864545.db2.gz IEJZSFOARJUJDW-UHFFFAOYSA-N 1 0 390.487 4.034 20 0 GIADRO COc1ccc(-c2nc3c(s2)[C@H]([NH2+]Cc2ccc(OC)nc2)CCC3)cc1 ZINC000126430088 823865041 /nfs/dbraw/zinc/86/50/41/823865041.db2.gz JMZJSVMLMCOALB-QGZVFWFLSA-N 1 0 381.501 4.390 20 0 GIADRO Cc1nc(C(F)(F)F)c(C[NH2+][C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)s1 ZINC000192116945 823865576 /nfs/dbraw/zinc/86/55/76/823865576.db2.gz OEBJPZHJHBHNOA-GXTWGEPZSA-N 1 0 378.366 4.368 20 0 GIADRO Cc1nc2ccc(NC(=O)NC[C@H]3CCC[N@H+](Cc4cccs4)C3)cc2o1 ZINC000064697139 823866857 /nfs/dbraw/zinc/86/68/57/823866857.db2.gz RHJXYOBEFODABF-OAHLLOKOSA-N 1 0 384.505 4.231 20 0 GIADRO CCOc1ccc(NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1F ZINC000574945794 823867653 /nfs/dbraw/zinc/86/76/53/823867653.db2.gz ARKUODXFUXSQMR-MOPGFXCFSA-N 1 0 397.494 4.210 20 0 GIADRO Cc1nc(C(F)(F)F)sc1C(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000462201888 823867871 /nfs/dbraw/zinc/86/78/71/823867871.db2.gz USVKDFVMXDWGPZ-OAHLLOKOSA-N 1 0 397.466 4.207 20 0 GIADRO CCN(CC)C(=O)c1ccc(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)cc1 ZINC000166086190 823869551 /nfs/dbraw/zinc/86/95/51/823869551.db2.gz JOVKBNRNIOPADK-OFNKIYASSA-N 1 0 380.532 4.426 20 0 GIADRO O=C(c1ccccc1F)N1CCC([NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000166154735 823871252 /nfs/dbraw/zinc/87/12/52/823871252.db2.gz VPMMMHFSFHEZMP-FDDCHVKYSA-N 1 0 396.506 4.188 20 0 GIADRO C[C@@H](N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000166181977 823871666 /nfs/dbraw/zinc/87/16/66/823871666.db2.gz MKNXIUZNELWFBO-VOQZNFBZSA-N 1 0 395.522 4.284 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@@H]2CCO[C@H](c3ccnn3C)C2)cnn1-c1cccc(Cl)c1 ZINC000574958716 823871902 /nfs/dbraw/zinc/87/19/02/823871902.db2.gz UUWPXZCJSXDLRG-OXTHUFEASA-N 1 0 399.926 4.139 20 0 GIADRO Cc1noc(C)c1CCC[NH2+][C@H](C)c1ccc(I)cc1 ZINC000166206324 823872309 /nfs/dbraw/zinc/87/23/09/823872309.db2.gz NAGZYBQGQNEGNC-LLVKDONJSA-N 1 0 384.261 4.179 20 0 GIADRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)Cn1ccc2ccccc21 ZINC000126455351 823872254 /nfs/dbraw/zinc/87/22/54/823872254.db2.gz BVHZLELEYZDVDE-UHFFFAOYSA-N 1 0 379.529 4.137 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000413941300 823872510 /nfs/dbraw/zinc/87/25/10/823872510.db2.gz UUEJVRFRZZYECO-UXHICEINSA-N 1 0 382.504 4.158 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)[C@H]1CCC[C@H]1c1ccccc1 ZINC000413941298 823872522 /nfs/dbraw/zinc/87/25/22/823872522.db2.gz UUEJVRFRZZYECO-PMACEKPBSA-N 1 0 382.504 4.158 20 0 GIADRO Cc1noc(C)c1CCC[NH2+][C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000166220810 823872916 /nfs/dbraw/zinc/87/29/16/823872916.db2.gz MHCUALPQQKAYFU-OAHLLOKOSA-N 1 0 390.549 4.291 20 0 GIADRO O=C1CCCN1Cc1ccc(C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)cc1 ZINC000166248847 823873331 /nfs/dbraw/zinc/87/33/31/823873331.db2.gz UFWIQVQVTUVRRY-FYYLOGMGSA-N 1 0 378.516 4.067 20 0 GIADRO O=C1CCCCN1c1ccc(C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)cc1 ZINC000166275813 823873848 /nfs/dbraw/zinc/87/38/48/823873848.db2.gz SJTQZZGILCCNPJ-NFBKMPQASA-N 1 0 378.516 4.461 20 0 GIADRO COCCC[C@H]([NH2+][C@H]1C[C@H](C)N(C2CC2)C1)c1ccc(Br)cc1 ZINC000166269582 823874036 /nfs/dbraw/zinc/87/40/36/823874036.db2.gz AQNCVPWNCOEFGT-FNHZYXHNSA-N 1 0 381.358 4.132 20 0 GIADRO CCc1cccc(CC)c1NC(=O)C[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000192136591 823874368 /nfs/dbraw/zinc/87/43/68/823874368.db2.gz PYRYQVDCTKSFMT-KNQAVFIVSA-N 1 0 388.458 4.148 20 0 GIADRO CC(C)c1ccsc1C(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000064733946 823874463 /nfs/dbraw/zinc/87/44/63/823874463.db2.gz NPLUDNHKJOAUGO-UHFFFAOYSA-N 1 0 399.604 4.199 20 0 GIADRO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(C(=O)NC[C@H]3CCCO3)c1)CCC2 ZINC000166312558 823875306 /nfs/dbraw/zinc/87/53/06/823875306.db2.gz UIDCDBSOFKTTSA-GGAORHGYSA-N 1 0 378.516 4.071 20 0 GIADRO COc1ccc2c(c1)CCC[C@@H]2CC(=O)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000064736099 823875673 /nfs/dbraw/zinc/87/56/73/823875673.db2.gz DVZWYNNOTJDMJJ-JYRKZWEQSA-N 1 0 384.564 4.369 20 0 GIADRO COc1ccc(S[C@H](C)C(=O)N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)cc1 ZINC000064735955 823875764 /nfs/dbraw/zinc/87/57/64/823875764.db2.gz UCASFIKGMYQDBA-XMTFNYHQSA-N 1 0 376.566 4.040 20 0 GIADRO Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc1)CCC2 ZINC000166357288 823875894 /nfs/dbraw/zinc/87/58/94/823875894.db2.gz YQSXHASHDNCDGF-YDIMBITNSA-N 1 0 392.543 4.412 20 0 GIADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2cc(-c3cccc(Cl)c3)on2)C1 ZINC000064735679 823875932 /nfs/dbraw/zinc/87/59/32/823875932.db2.gz WMPIJTCFIFWOPN-DAYGRLMNSA-N 1 0 387.911 4.472 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)COc2ccc(Cl)c3ccccc23)CC1 ZINC000064738587 823877033 /nfs/dbraw/zinc/87/70/33/823877033.db2.gz OQOFXNDZPZNLKE-UHFFFAOYSA-N 1 0 388.939 4.451 20 0 GIADRO COC(=O)c1cc2cc(C[NH2+][C@H]3CCO[C@H]3c3ccc(F)c(F)c3)ccc2o1 ZINC000192141218 823877505 /nfs/dbraw/zinc/87/75/05/823877505.db2.gz DGJYJECAWQISGX-PXNSSMCTSA-N 1 0 387.382 4.117 20 0 GIADRO O=C(Nc1ccc2c(c1)C[NH2+]CC2)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000574973057 823877611 /nfs/dbraw/zinc/87/76/11/823877611.db2.gz DTQUAJXFQQOXKB-GOSISDBHSA-N 1 0 378.501 4.311 20 0 GIADRO CC(C)(COc1cc(Cl)cc(Cl)c1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000574973508 823877629 /nfs/dbraw/zinc/87/76/29/823877629.db2.gz WHEVISPKVASAFW-MRXNPFEDSA-N 1 0 385.335 4.095 20 0 GIADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000574972547 823877651 /nfs/dbraw/zinc/87/76/51/823877651.db2.gz UTLGFRAIZCWXBW-RHSMWYFYSA-N 1 0 380.517 4.007 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+][C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000166460733 823877844 /nfs/dbraw/zinc/87/78/44/823877844.db2.gz VCLJEOOOUIHBQA-KBXCAEBGSA-N 1 0 399.539 4.311 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1ccc(SCC(F)(F)F)cc1 ZINC000166465905 823878006 /nfs/dbraw/zinc/87/80/06/823878006.db2.gz NLUNXSDWHJIJQE-GDBMZVCRSA-N 1 0 398.498 4.394 20 0 GIADRO Fc1ccc([C@H](Cn2cnc3ccccc32)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166490245 823878379 /nfs/dbraw/zinc/87/83/79/823878379.db2.gz RVEIKQONUATSTI-VWPQPMDRSA-N 1 0 378.495 4.133 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1c2c(ccc1Cl)OCC2)c1ccc(Cl)cc1 ZINC000574984150 823879797 /nfs/dbraw/zinc/87/97/97/823879797.db2.gz MLPUMOXIHXUYJD-MRXNPFEDSA-N 1 0 394.302 4.353 20 0 GIADRO Cc1ccc(CNCc2[nH+]c(C(C)C)n3ccccc23)c(OC[C@H]2CCOC2)c1 ZINC000574994184 823881621 /nfs/dbraw/zinc/88/16/21/823881621.db2.gz QZNMCRJSBJSZTO-IBGZPJMESA-N 1 0 393.531 4.471 20 0 GIADRO C[C@@H]1CCCN(c2cc(C(=O)N3CCC(CCC[NH+]4CCCC4)CC3)ccn2)C1 ZINC000462226630 823881925 /nfs/dbraw/zinc/88/19/25/823881925.db2.gz AQAPYKCMTHVGIL-HXUWFJFHSA-N 1 0 398.595 4.046 20 0 GIADRO CC1(C)CC[C@H]([NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)c2cc(Br)ccc21 ZINC000574994949 823882068 /nfs/dbraw/zinc/88/20/68/823882068.db2.gz QBIBXQFFAYJWJA-UGSOOPFHSA-N 1 0 391.353 4.162 20 0 GIADRO CC1(C)CC[C@@H]([NH2+]C[C@H]2CC(=O)N(C3CC3)C2)c2cc(Br)ccc21 ZINC000574994947 823882195 /nfs/dbraw/zinc/88/21/95/823882195.db2.gz QBIBXQFFAYJWJA-FZKQIMNGSA-N 1 0 391.353 4.162 20 0 GIADRO Cc1cccc([C@@H]2CCCN2C(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)n1 ZINC000166734777 823882449 /nfs/dbraw/zinc/88/24/49/823882449.db2.gz UJYCPTIHRBCWFN-UGKGYDQZSA-N 1 0 381.495 4.105 20 0 GIADRO O=C1NCN(c2ccccc2)C12CC[NH+](Cc1ccccc1-c1ccccc1)CC2 ZINC000166805519 823883064 /nfs/dbraw/zinc/88/30/64/823883064.db2.gz CHERSYCHYHPFJQ-UHFFFAOYSA-N 1 0 397.522 4.282 20 0 GIADRO CC[C@@H](CCO)C[NH2+][C@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000166823840 823883090 /nfs/dbraw/zinc/88/30/90/823883090.db2.gz XLNDOALOLRZAHN-NEPJUHHUSA-N 1 0 380.838 4.074 20 0 GIADRO Cc1ccc(C[NH2+][C@H]2CCN(Cc3ccccn3)C[C@@H]2C)c(OCC2CC2)c1 ZINC000166918844 823884558 /nfs/dbraw/zinc/88/45/58/823884558.db2.gz JEYQMBOYAVKPCL-CVDCTZTESA-N 1 0 379.548 4.179 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccccc1Br ZINC000462232260 823885540 /nfs/dbraw/zinc/88/55/40/823885540.db2.gz HPGDPVBNTNVHCZ-KSSFIOAISA-N 1 0 388.309 4.091 20 0 GIADRO CC1(C(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000167088106 823886038 /nfs/dbraw/zinc/88/60/38/823886038.db2.gz DIOODFICHPWSIU-PKTZIBPZSA-N 1 0 392.543 4.325 20 0 GIADRO FC(F)(F)COc1cccc(C[NH+]2CCC(c3noc(C4CC4)n3)CC2)c1 ZINC000462233191 823886475 /nfs/dbraw/zinc/88/64/75/823886475.db2.gz CGQJIODFTZAWNY-UHFFFAOYSA-N 1 0 381.398 4.268 20 0 GIADRO CCOCCOc1cc(C)ccc1C[NH2+][C@@H](C)c1ccc2c(c1)OCCCO2 ZINC000167145603 823887013 /nfs/dbraw/zinc/88/70/13/823887013.db2.gz VRBKDJWTNDCYOV-SFHVURJKSA-N 1 0 385.504 4.422 20 0 GIADRO Cc1cc(-n2ccnc2)ccc1C[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000192163888 823887662 /nfs/dbraw/zinc/88/76/62/823887662.db2.gz LZZQWSIXRGNRKM-HSZRJFAPSA-N 1 0 375.472 4.193 20 0 GIADRO OCC[C@@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)c1ccc(Cl)cc1 ZINC000575013671 823887978 /nfs/dbraw/zinc/88/79/78/823887978.db2.gz YSSDKAISVFEBAF-QGZVFWFLSA-N 1 0 382.287 4.368 20 0 GIADRO Cc1ccc(C[NH2+][C@@H](C)c2ccc3c(c2)OCCCO3)c(OC[C@H]2CCOC2)c1 ZINC000167186716 823888035 /nfs/dbraw/zinc/88/80/35/823888035.db2.gz AUGRYXYPAIRAMT-OALUTQOASA-N 1 0 397.515 4.422 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1cc(F)c(F)cc1Cl ZINC000126513658 823888528 /nfs/dbraw/zinc/88/85/28/823888528.db2.gz YYJKRUYNUXVJDA-UHFFFAOYSA-N 1 0 379.838 4.002 20 0 GIADRO Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]C1CCN(C(=O)c3ccoc3)CC1)CCCO2 ZINC000126516779 823888983 /nfs/dbraw/zinc/88/89/83/823888983.db2.gz URWZQYGRQHZJMY-IBGZPJMESA-N 1 0 388.895 4.350 20 0 GIADRO Cc1nn(-c2cc[nH+]cc2)cc1CNc1cccc(Cl)c1OCC(F)F ZINC000575020118 823890018 /nfs/dbraw/zinc/89/00/18/823890018.db2.gz CEBSNJVTMDTVGL-UHFFFAOYSA-N 1 0 378.810 4.485 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)C[NH2+][C@H](C)c2ccc(F)c3ccccc32)c1 ZINC000575020906 823890149 /nfs/dbraw/zinc/89/01/49/823890149.db2.gz HWLFIIGVFQDCAZ-CQSZACIVSA-N 1 0 379.435 4.227 20 0 GIADRO CN(C(=O)Nc1ccc(Oc2ccccc2)cc1C(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000575021389 823890162 /nfs/dbraw/zinc/89/01/62/823890162.db2.gz BEYMUZUTDQDJQY-CYBMUJFWSA-N 1 0 379.382 4.323 20 0 GIADRO Cc1cccc2c1CC[C@@H]2[NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1 ZINC000167317937 823890379 /nfs/dbraw/zinc/89/03/79/823890379.db2.gz FXJVPOZJNXJFRC-QHCPKHFHSA-N 1 0 386.499 4.489 20 0 GIADRO CCN(CC)[C@@H](C[NH2+]Cc1ccccc1N1CCO[C@H](C)C1)c1ccsc1 ZINC000575023415 823891135 /nfs/dbraw/zinc/89/11/35/823891135.db2.gz GENPJISEQZCRFR-GCJKJVERSA-N 1 0 387.593 4.146 20 0 GIADRO O=C(NCc1ccncc1)Nc1cccc(C[NH2+][C@H]2CCC[C@@H](C3CC3)C2)c1 ZINC000167411212 823891556 /nfs/dbraw/zinc/89/15/56/823891556.db2.gz DAAPIFQUFPTXSJ-RTWAWAEBSA-N 1 0 378.520 4.462 20 0 GIADRO O=C(C[N@@H+]1CCC[C@H](c2ccncc2)C1)N(Cc1ccccc1)c1ccccc1 ZINC000575026076 823892250 /nfs/dbraw/zinc/89/22/50/823892250.db2.gz IKYIPQVCBJAREX-QHCPKHFHSA-N 1 0 385.511 4.494 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc(-n2cnnn2)cc1 ZINC000167565345 823893721 /nfs/dbraw/zinc/89/37/21/823893721.db2.gz STEPLFWWKKIDRT-INIZCTEOSA-N 1 0 395.470 4.056 20 0 GIADRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1ccnc(N2CCC[C@@H](C)C2)c1 ZINC000462245843 823894780 /nfs/dbraw/zinc/89/47/80/823894780.db2.gz JQTUDWCBYNGQDA-GOSISDBHSA-N 1 0 392.547 4.474 20 0 GIADRO CCCN(CCC)C(=O)c1ccc(NC(=O)C2CC[NH+](CC(C)C)CC2)cc1 ZINC000064832766 823896589 /nfs/dbraw/zinc/89/65/89/823896589.db2.gz VPEJVCIUDAJDDV-UHFFFAOYSA-N 1 0 387.568 4.255 20 0 GIADRO O=C(c1ccccc1-c1ncc(-c2ccccc2)o1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000575039539 823897515 /nfs/dbraw/zinc/89/75/15/823897515.db2.gz OHZBJDGAPLRIHD-XMMPIXPASA-N 1 0 387.483 4.224 20 0 GIADRO CC[C@H]([NH2+][C@H](C)c1ccc(OC)cc1C)c1ccccc1OCC(=O)N(C)C ZINC000414060182 823897863 /nfs/dbraw/zinc/89/78/63/823897863.db2.gz AQGWNLYGKGKDLC-UTKZUKDTSA-N 1 0 384.520 4.273 20 0 GIADRO CCSc1cc(Cl)ccc1C(=O)NCCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000126556283 823898294 /nfs/dbraw/zinc/89/82/94/823898294.db2.gz YZEJZPDWUSSHOY-GJZGRUSLSA-N 1 0 384.973 4.071 20 0 GIADRO OCC1([C@@H]([NH2+]Cc2cnc(C3CCCCC3)s2)C2CCOCC2)CCC1 ZINC000575041521 823898542 /nfs/dbraw/zinc/89/85/42/823898542.db2.gz LHYQFXCOHVUNHY-IBGZPJMESA-N 1 0 378.582 4.238 20 0 GIADRO NC(=O)C[C@@H](N[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1cccc(Cl)c1 ZINC000575045218 823899153 /nfs/dbraw/zinc/89/91/53/823899153.db2.gz XEKQNLOZAFMIIR-LEWJYISDSA-N 1 0 397.950 4.043 20 0 GIADRO CC(C)c1nn(Cc2ccccc2)c(Cl)c1CNC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000168042583 823899417 /nfs/dbraw/zinc/89/94/17/823899417.db2.gz PKEXIZGDPFNRME-SFHVURJKSA-N 1 0 386.971 4.282 20 0 GIADRO CC(C)c1nn(Cc2ccccc2)c(Cl)c1CNC1CC[NH+](C2CC2)CC1 ZINC000167997977 823899529 /nfs/dbraw/zinc/89/95/29/823899529.db2.gz WXHCOIQXLUHNBB-UHFFFAOYSA-N 1 0 386.971 4.425 20 0 GIADRO CCS[C@@H]1CC[C@@H](N(C)C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000126565104 823899967 /nfs/dbraw/zinc/89/99/67/823899967.db2.gz IEEOAOQGLLKSRH-WOJBJXKFSA-N 1 0 393.572 4.106 20 0 GIADRO CC(C)n1cc(NC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)cn1 ZINC000575056950 823901243 /nfs/dbraw/zinc/90/12/43/823901243.db2.gz HIOVMJGTSKBQSY-SFHVURJKSA-N 1 0 375.904 4.076 20 0 GIADRO Cc1noc(C)c1[C@H](C)[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000168230132 823901397 /nfs/dbraw/zinc/90/13/97/823901397.db2.gz QWBKPBXZPCGWQY-QWRGUYRKSA-N 1 0 380.286 4.122 20 0 GIADRO Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+]CC1(N(C)C)CCOCC1 ZINC000168273066 823901945 /nfs/dbraw/zinc/90/19/45/823901945.db2.gz YIZHTXISECDIIR-CQSZACIVSA-N 1 0 377.529 4.019 20 0 GIADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@@H](C)c1cccc(N2CCCC2)c1 ZINC000168332062 823902011 /nfs/dbraw/zinc/90/20/11/823902011.db2.gz MOVGWOUJVXZGSR-CVEARBPZSA-N 1 0 386.927 4.403 20 0 GIADRO C[C@H](CC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)c1ccc(F)c(Br)c1 ZINC000462257663 823901896 /nfs/dbraw/zinc/90/18/96/823901896.db2.gz QGNACBVFWHNLMB-SIIHOXLZSA-N 1 0 397.332 4.025 20 0 GIADRO C[C@H]([NH2+]CC1(N(C)C)CCOCC1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000168353355 823902314 /nfs/dbraw/zinc/90/23/14/823902314.db2.gz WISDMHSLZGBFFO-SFHVURJKSA-N 1 0 386.511 4.166 20 0 GIADRO CC(C)c1nn(Cc2ccccc2)c(Cl)c1C[NH2+][C@@H]1CCc2n[nH]cc2C1 ZINC000168366905 823902596 /nfs/dbraw/zinc/90/25/96/823902596.db2.gz QDYFLMOYYVSDSJ-QGZVFWFLSA-N 1 0 383.927 4.078 20 0 GIADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H](c2ccccc2F)C2CCCC2)c1 ZINC000168487360 823903162 /nfs/dbraw/zinc/90/31/62/823903162.db2.gz JAKGJSAPWUNWDF-BTYIYWSLSA-N 1 0 390.524 4.316 20 0 GIADRO CC/C(=C/C(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000126576179 823903566 /nfs/dbraw/zinc/90/35/66/823903566.db2.gz ISKXAFSOHLMXRY-VLGSPTGOSA-N 1 0 382.504 4.205 20 0 GIADRO COC(=O)c1cnc([C@@H](C)[NH2+][C@@H](C)CCc2ccc(OC(C)C)cc2)s1 ZINC000414079945 823903729 /nfs/dbraw/zinc/90/37/29/823903729.db2.gz UAOYOQSNHYSVCM-LSDHHAIUSA-N 1 0 376.522 4.389 20 0 GIADRO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cccc(Cl)c1Cl ZINC000192210867 823903842 /nfs/dbraw/zinc/90/38/42/823903842.db2.gz GVISNYBBFVYMNB-INIZCTEOSA-N 1 0 393.314 4.014 20 0 GIADRO COC(=O)c1cnc([C@@H](C)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)s1 ZINC000414078347 823903857 /nfs/dbraw/zinc/90/38/57/823903857.db2.gz RWKFXCRHGHOBTR-JKSUJKDBSA-N 1 0 387.549 4.012 20 0 GIADRO CCCC(=O)Nc1cccc(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000462261405 823904029 /nfs/dbraw/zinc/90/40/29/823904029.db2.gz YIHDBLCFDBIGOQ-UTKZUKDTSA-N 1 0 394.519 4.067 20 0 GIADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H](C)c1cccc(O)c1 ZINC000126583824 823905485 /nfs/dbraw/zinc/90/54/85/823905485.db2.gz TYUPEADWXOSELA-STQMWFEESA-N 1 0 377.282 4.223 20 0 GIADRO CC[NH+](CC)CCOc1ccc(C(=O)Nc2cc(OC)ccc2Cl)cc1 ZINC000064880290 823905544 /nfs/dbraw/zinc/90/55/44/823905544.db2.gz AYQJSAGQLJWONL-UHFFFAOYSA-N 1 0 376.884 4.322 20 0 GIADRO COC(=O)c1cnc([C@@H](C)[NH2+]CCc2nc(-c3ccccc3)c(C)s2)s1 ZINC000414087215 823905936 /nfs/dbraw/zinc/90/59/36/823905936.db2.gz IFZWQCCOEKDLKJ-GFCCVEGCSA-N 1 0 387.530 4.255 20 0 GIADRO Cc1ccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c(Br)c1 ZINC000168798738 823906099 /nfs/dbraw/zinc/90/60/99/823906099.db2.gz CQRSHAIKARAQKF-INIZCTEOSA-N 1 0 393.350 4.386 20 0 GIADRO C[C@@H](C(=O)NCc1ccc(C[NH+](C)C)c(F)c1)c1cccc(Br)c1 ZINC000462267869 823906319 /nfs/dbraw/zinc/90/63/19/823906319.db2.gz JFCRGYYJARHVNB-CYBMUJFWSA-N 1 0 393.300 4.070 20 0 GIADRO COc1ccc([C@H](CNC(=S)Nc2ccc3c(c2)CCC3)[NH+]2CCCC2)cc1 ZINC000064891861 823906747 /nfs/dbraw/zinc/90/67/47/823906747.db2.gz KGEXITPPTQJXMK-QFIPXVFZSA-N 1 0 395.572 4.307 20 0 GIADRO CC(C)OCc1ccc(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000462269177 823907367 /nfs/dbraw/zinc/90/73/67/823907367.db2.gz RRCNGFUKRDZGOS-PGRDOPGGSA-N 1 0 381.520 4.254 20 0 GIADRO CC(C)[NH2+]CCC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1 ZINC000168922371 823907506 /nfs/dbraw/zinc/90/75/06/823907506.db2.gz DVFVBUSRNCRXDH-UHFFFAOYSA-N 1 0 385.361 4.358 20 0 GIADRO CC[C@H]([NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1F)[C@H]1C[C@H]1C ZINC000414095973 823908561 /nfs/dbraw/zinc/90/85/61/823908561.db2.gz QBTALYXZBNEAPY-UQLQBKHNSA-N 1 0 393.499 4.482 20 0 GIADRO COc1ccc(OCc2nc(C[NH2+][C@@H](C)[C@H]3COc4ccccc43)cs2)cc1 ZINC000169133887 823908702 /nfs/dbraw/zinc/90/87/02/823908702.db2.gz YDZIKHFKZVLHHJ-MGPUTAFESA-N 1 0 396.512 4.385 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc(-c2nccs2)cc1 ZINC000462274274 823909224 /nfs/dbraw/zinc/90/92/24/823909224.db2.gz UOGZVCZBGJHRQJ-UZLBHIALSA-N 1 0 392.528 4.452 20 0 GIADRO CCn1nccc1NC(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000575092943 823909943 /nfs/dbraw/zinc/90/99/43/823909943.db2.gz SEPAPPQBJYRYIH-OAQYLSRUSA-N 1 0 395.551 4.058 20 0 GIADRO C[C@H](CNC(=O)CCCOc1ccccc1Cl)[N@@H+]1CCc2ccccc2C1 ZINC000064907833 823910063 /nfs/dbraw/zinc/91/00/63/823910063.db2.gz VRRQOPUSTYNUEW-QGZVFWFLSA-N 1 0 386.923 4.062 20 0 GIADRO CC(C)N1CC[C@H]([NH2+][C@@H](C)c2cc3n(n2)CCC3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000414101150 823910078 /nfs/dbraw/zinc/91/00/78/823910078.db2.gz SSQHRJPGDXURTB-JBYOLUDKSA-N 1 0 390.934 4.496 20 0 GIADRO CC[NH+](CC)[C@@H](CNc1ccc2nnc(-c3ccccc3)n2n1)c1ccsc1 ZINC000064914181 823910707 /nfs/dbraw/zinc/91/07/07/823910707.db2.gz JFTHPNMQPDMUQM-SFHVURJKSA-N 1 0 392.532 4.348 20 0 GIADRO CSCC[C@H](C)[N@H+](C)CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000126614312 823911652 /nfs/dbraw/zinc/91/16/52/823911652.db2.gz UOPAPQGTCUDDAB-AWEZNQCLSA-N 1 0 391.562 4.012 20 0 GIADRO CSCC[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000126614536 823911761 /nfs/dbraw/zinc/91/17/61/823911761.db2.gz UOPAPQGTCUDDAB-CQSZACIVSA-N 1 0 391.562 4.012 20 0 GIADRO CC[C@H]([NH2+][C@H](c1ccc(OC)cc1)c1cccc(S(C)(=O)=O)c1)[C@H]1C[C@H]1C ZINC000414108862 823911868 /nfs/dbraw/zinc/91/18/68/823911868.db2.gz KESHMTLRWGUWJM-NSEXGNSCSA-N 1 0 387.545 4.212 20 0 GIADRO O=C1[C@H]([NH2+][C@H]2CC[C@H](c3cccc(Cl)c3)C2)CCCN1Cc1ccccn1 ZINC000414113390 823912552 /nfs/dbraw/zinc/91/25/52/823912552.db2.gz RTCWHTBQEJXFIV-HFSMHLIXSA-N 1 0 383.923 4.152 20 0 GIADRO CC(C)Cn1ncc(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1C(C)C ZINC000462288362 823913351 /nfs/dbraw/zinc/91/33/51/823913351.db2.gz ULIXYTYHEWDDHD-NQIIRXRSSA-N 1 0 397.567 4.305 20 0 GIADRO O=C1CC[C@H]([NH2+]CCc2cccc(Br)c2)c2cc(F)ccc2N1 ZINC000414120188 823914081 /nfs/dbraw/zinc/91/40/81/823914081.db2.gz BAIYMBMJXILZST-INIZCTEOSA-N 1 0 377.257 4.194 20 0 GIADRO C[C@@H]([NH2+]CCN1CCc2ccccc2C1=O)c1csc(-c2ccccc2)n1 ZINC000414129775 823915817 /nfs/dbraw/zinc/91/58/17/823915817.db2.gz IRDDLAOFYAAJLH-MRXNPFEDSA-N 1 0 377.513 4.159 20 0 GIADRO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1Cl ZINC000462300781 823916229 /nfs/dbraw/zinc/91/62/29/823916229.db2.gz JUZRZDAFZZADDT-KBXCAEBGSA-N 1 0 398.981 4.071 20 0 GIADRO C[C@H](NC[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)c1ccn(C)n1 ZINC000414130821 823916507 /nfs/dbraw/zinc/91/65/07/823916507.db2.gz WXWYYFMASBNFAO-GMBSWORKSA-N 1 0 380.458 4.173 20 0 GIADRO CC1(C[NH2+]Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)OCCCO1 ZINC000192249864 823916548 /nfs/dbraw/zinc/91/65/48/823916548.db2.gz FXTJVWAONDMZBT-UHFFFAOYSA-N 1 0 392.839 4.283 20 0 GIADRO Cc1ccc(Cl)cc1S(=O)(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000462301253 823916840 /nfs/dbraw/zinc/91/68/40/823916840.db2.gz VQTRZAHHVOXOQS-KSSFIOAISA-N 1 0 398.981 4.071 20 0 GIADRO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1Cl ZINC000462300786 823917110 /nfs/dbraw/zinc/91/71/10/823917110.db2.gz JUZRZDAFZZADDT-RDTXWAMCSA-N 1 0 398.981 4.071 20 0 GIADRO C[C@H](c1ccc(Cl)cc1)[N@H+](C)CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000064960827 823918743 /nfs/dbraw/zinc/91/87/43/823918743.db2.gz CEFFJHJLZLFKKX-OAHLLOKOSA-N 1 0 381.925 4.205 20 0 GIADRO CC(C)c1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1 ZINC000462306241 823918951 /nfs/dbraw/zinc/91/89/51/823918951.db2.gz QEMDIIGSEHNIRO-FXAWDEMLSA-N 1 0 392.590 4.233 20 0 GIADRO C[C@@H]([NH2+][C@@H](CCC(=O)OC(C)(C)C)Cc1ccccc1)c1cc2n(n1)CCC2 ZINC000414148454 823918999 /nfs/dbraw/zinc/91/89/99/823918999.db2.gz SQKFEBLSESLBMY-MJGOQNOKSA-N 1 0 383.536 4.213 20 0 GIADRO CC(C)c1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1 ZINC000462306243 823919165 /nfs/dbraw/zinc/91/91/65/823919165.db2.gz QEMDIIGSEHNIRO-XLIONFOSSA-N 1 0 392.590 4.233 20 0 GIADRO CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)C1(C)C ZINC000414156206 823919301 /nfs/dbraw/zinc/91/93/01/823919301.db2.gz ULFSPTAQGINWQQ-SJJHQCBESA-N 1 0 376.507 4.364 20 0 GIADRO C[C@]1(O)CCOC[C@@H]1[C@@H]1CCC[N@@H+]1[C@@H](c1ccc(Cl)cc1)C1CCOCC1 ZINC000575134566 823920070 /nfs/dbraw/zinc/92/00/70/823920070.db2.gz BTZHSKSLGRXYSK-MLNNCEHLSA-N 1 0 393.955 4.060 20 0 GIADRO O=C(CC[NH2+]Cc1c(F)cccc1Cl)Nc1ccc(Br)cc1 ZINC000575139707 823921204 /nfs/dbraw/zinc/92/12/04/823921204.db2.gz IDKUBXLVPRNWQP-UHFFFAOYSA-N 1 0 385.664 4.360 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCCN(C(=O)N2CCCC2)C1)c1csc(-c2ccccc2)n1 ZINC000414164428 823921221 /nfs/dbraw/zinc/92/12/21/823921221.db2.gz OGVCVHCXEBQVNC-SJLPKXTDSA-N 1 0 384.549 4.141 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)Nc2cc(F)cc(N3CCOCC3)c2)cc1)C(C)C ZINC000170627347 823921243 /nfs/dbraw/zinc/92/12/43/823921243.db2.gz MANZBXPGUWDIQW-UHFFFAOYSA-N 1 0 399.510 4.145 20 0 GIADRO C[C@@H]([NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl)c1ccc(NS(C)(=O)=O)cc1 ZINC000414164596 823921522 /nfs/dbraw/zinc/92/15/22/823921522.db2.gz AYOCXWMFOZCTRM-JDSLSITLSA-N 1 0 382.888 4.057 20 0 GIADRO C[C@H]([NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000414178254 823923305 /nfs/dbraw/zinc/92/33/05/823923305.db2.gz JQQSIIHSCSHXOF-KANYHAFZSA-N 1 0 385.863 4.228 20 0 GIADRO COc1cc(N[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cc(OC)c1Cl ZINC000414180339 823923633 /nfs/dbraw/zinc/92/36/33/823923633.db2.gz LXWGWILRLUSUOF-AWEZNQCLSA-N 1 0 378.900 4.471 20 0 GIADRO O=S1(=O)CC[C@H]([NH2+]C[C@H]2CCC[C@H]2C2CC2)c2cc(Br)ccc21 ZINC000414182144 823923756 /nfs/dbraw/zinc/92/37/56/823923756.db2.gz CUJBHZLBYZGGLY-KMFMINBZSA-N 1 0 398.366 4.084 20 0 GIADRO CC(C)[C@H]1[N@H+](CCC(=O)Nc2cccc(C(F)(F)F)c2)CC12CCOCC2 ZINC000414179967 823923841 /nfs/dbraw/zinc/92/38/41/823923841.db2.gz KSYRCORQVGZAEX-GOSISDBHSA-N 1 0 384.442 4.171 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+][C@H]2c3sccc3OC(C)(C)[C@@H]2O)cc1OCC ZINC000414181249 823923886 /nfs/dbraw/zinc/92/38/86/823923886.db2.gz LZZQLHNXQXWDEF-ORPRQENYSA-N 1 0 391.533 4.469 20 0 GIADRO COc1ccc(CCC[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)cc1OC ZINC000065014333 823924098 /nfs/dbraw/zinc/92/40/98/823924098.db2.gz QFJJVKSNFNLGTP-UHFFFAOYSA-N 1 0 391.895 4.241 20 0 GIADRO c1c(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(-c2ccccc2)nn1Cc1ccccc1 ZINC000126673676 823924465 /nfs/dbraw/zinc/92/44/65/823924465.db2.gz KOJKTJMLALRARC-BJKOFHAPSA-N 1 0 386.543 4.315 20 0 GIADRO O=C(Nc1cccc(-c2ccc3c(c2)CCO3)c1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000575152775 823925215 /nfs/dbraw/zinc/92/52/15/823925215.db2.gz ZIWMXMXLDMLIFW-NHCUHLMSSA-N 1 0 391.515 4.142 20 0 GIADRO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000170647189 823925439 /nfs/dbraw/zinc/92/54/39/823925439.db2.gz HPMNCMYNEMRJCN-IBGZPJMESA-N 1 0 397.519 4.007 20 0 GIADRO COc1cccc(Oc2ncccc2C[NH2+]Cc2ccc(OC)c(OC)c2C)c1 ZINC000575156939 823926144 /nfs/dbraw/zinc/92/61/44/823926144.db2.gz HLARQGUCMXKRGE-UHFFFAOYSA-N 1 0 394.471 4.498 20 0 GIADRO CC(C)(C)OC(=O)NC[C@@H]1CCN(Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000170647981 823926470 /nfs/dbraw/zinc/92/64/70/823926470.db2.gz HEKHWWPOSWOVJU-AWEZNQCLSA-N 1 0 391.899 4.342 20 0 GIADRO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c(Cl)c1 ZINC000462328588 823926560 /nfs/dbraw/zinc/92/65/60/823926560.db2.gz VAWWBZPMTBMGBZ-KDOFPFPSSA-N 1 0 398.981 4.071 20 0 GIADRO CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+][C@@H]2Cc3cccc(OC)c3C2)cc1 ZINC000414197495 823926581 /nfs/dbraw/zinc/92/65/81/823926581.db2.gz VWEPUTQJYLCHAR-OXQOHEQNSA-N 1 0 381.520 4.387 20 0 GIADRO COc1ccc([C@H](CO)C[NH2+][C@H](C)c2cc(C)c(Br)s2)cc1 ZINC000414202357 823927575 /nfs/dbraw/zinc/92/75/75/823927575.db2.gz ZAWFYXFZWMDSDP-OCCSQVGLSA-N 1 0 384.339 4.254 20 0 GIADRO COc1ccc([C@@H](CO)C[NH2+][C@@H](C)c2cc(C)c(Br)s2)cc1 ZINC000414202355 823927668 /nfs/dbraw/zinc/92/76/68/823927668.db2.gz ZAWFYXFZWMDSDP-GXTWGEPZSA-N 1 0 384.339 4.254 20 0 GIADRO CC[N@H+](CCCc1ccncc1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000462334355 823928410 /nfs/dbraw/zinc/92/84/10/823928410.db2.gz JIEDATQLQZHXBK-UHFFFAOYSA-N 1 0 381.568 4.227 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)c2ccccc2N(C)C)c1 ZINC000414210335 823929751 /nfs/dbraw/zinc/92/97/51/823929751.db2.gz MGLUXXYJHUDLEG-AWEZNQCLSA-N 1 0 380.941 4.050 20 0 GIADRO Cc1ccc(C[NH2+][C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)c2ccccc12 ZINC000414211435 823929879 /nfs/dbraw/zinc/92/98/79/823929879.db2.gz OMWALUUQVXJOAT-KRWDZBQOSA-N 1 0 382.529 4.249 20 0 GIADRO Cc1c2cccc(C)c2oc1C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000126697201 823930297 /nfs/dbraw/zinc/93/02/97/823930297.db2.gz GDUURSQSSWBLQN-UHFFFAOYSA-N 1 0 377.488 4.433 20 0 GIADRO CC(C)(C)c1ccncc1C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000414219295 823932148 /nfs/dbraw/zinc/93/21/48/823932148.db2.gz ASCANJVUFLPZHB-UHFFFAOYSA-N 1 0 385.939 4.427 20 0 GIADRO [NH3+]CCC[C@@H](NC(=O)CCc1nc2cc(Cl)ccc2s1)c1ccccc1 ZINC000575179864 823932500 /nfs/dbraw/zinc/93/25/00/823932500.db2.gz WXWJEQHLNCEPJR-MRXNPFEDSA-N 1 0 387.936 4.479 20 0 GIADRO CCc1c(NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cnn1C(CC)CC ZINC000575182595 823933185 /nfs/dbraw/zinc/93/31/85/823933185.db2.gz BYPPPFLEYJLUGB-GOSISDBHSA-N 1 0 375.561 4.289 20 0 GIADRO C[C@H](OCCCNC(=O)c1ccccc1CC1CC[NH2+]CC1)c1ccccc1 ZINC000575181835 823933346 /nfs/dbraw/zinc/93/33/46/823933346.db2.gz FLBPAIZLPCDKTO-IBGZPJMESA-N 1 0 380.532 4.126 20 0 GIADRO C[C@H](NC(=O)NCC1CC[NH+](Cc2cccs2)CC1)c1cccc(F)c1F ZINC000126723376 823935984 /nfs/dbraw/zinc/93/59/84/823935984.db2.gz MKWPWNGXUPSXBB-AWEZNQCLSA-N 1 0 393.503 4.299 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+]C/C(C)=C\c2ccccc2C(F)(F)F)[C@H]1n1cccn1 ZINC000575199818 823936581 /nfs/dbraw/zinc/93/65/81/823936581.db2.gz HPSKWVROPKLPCI-SEVKHHHUSA-N 1 0 379.426 4.314 20 0 GIADRO COc1ccc([C@@H](Cc2ccccc2)NC(=O)NCC2(C)CC[NH+](C)CC2)cc1 ZINC000462357387 823939495 /nfs/dbraw/zinc/93/94/95/823939495.db2.gz JGOZCHOVLAMHDY-JOCHJYFZSA-N 1 0 395.547 4.010 20 0 GIADRO CC[C@@H]([NH2+]C[C@@H]1CCO[C@H]1c1cnn(CC)c1)c1cc(Cl)ccc1OC ZINC000414247103 823939768 /nfs/dbraw/zinc/93/97/68/823939768.db2.gz NYXBXHPYWXXDDP-BOUXLOLZSA-N 1 0 377.916 4.384 20 0 GIADRO C[C@@H]([NH2+]C[C@H]1C[C@@H](C)O[C@@H]1C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000414251657 823941169 /nfs/dbraw/zinc/94/11/69/823941169.db2.gz ACYMJZSFUSFKML-SOAMZJECSA-N 1 0 379.504 4.377 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1=O)c1ccc(Cl)c2ccccc21 ZINC000462363104 823941690 /nfs/dbraw/zinc/94/16/90/823941690.db2.gz RZZORDGTHYSJFV-VLIAUNLRSA-N 1 0 382.895 4.073 20 0 GIADRO Cn1cc(C(F)(F)F)nc1[C@H]1CCC[N@H+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC000575217991 823942506 /nfs/dbraw/zinc/94/25/06/823942506.db2.gz LXMUACMRYLLQNJ-ZDUSSCGKSA-N 1 0 399.844 4.407 20 0 GIADRO Cc1ccc(Br)c(C[NH2+][C@H]2CCN(Cc3ccccn3)C[C@@H]2C)c1 ZINC000414260857 823944775 /nfs/dbraw/zinc/94/47/75/823944775.db2.gz NDXPDZPRBBTPOQ-JXFKEZNVSA-N 1 0 388.353 4.153 20 0 GIADRO Cc1nn(-c2cccc(F)c2)cc1CNC1CC[NH+](CCc2ccccc2)CC1 ZINC000414266013 823946258 /nfs/dbraw/zinc/94/62/58/823946258.db2.gz HECKCJHYHHCYPC-UHFFFAOYSA-N 1 0 392.522 4.117 20 0 GIADRO CC(C)(CC[NH2+][C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1)S(C)(=O)=O ZINC000414267964 823946862 /nfs/dbraw/zinc/94/68/62/823946862.db2.gz UDXVJZUCDBOCFY-HZPDHXFCSA-N 1 0 377.472 4.144 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)CCc1nccs1)c1ccc(C(F)(F)F)cc1 ZINC000065121503 823946974 /nfs/dbraw/zinc/94/69/74/823946974.db2.gz GANXMXDDYCRHLD-INIZCTEOSA-N 1 0 399.482 4.294 20 0 GIADRO CC(C)(CC[NH2+][C@H]1CCCOc2c(Cl)c(Cl)ccc21)S(C)(=O)=O ZINC000414268839 823947338 /nfs/dbraw/zinc/94/73/38/823947338.db2.gz UAEZFPGGNVERMV-ZDUSSCGKSA-N 1 0 380.337 4.010 20 0 GIADRO CC(C)(CC[NH2+][C@@H]1CCC[C@H]1c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000414268558 823947538 /nfs/dbraw/zinc/94/75/38/823947538.db2.gz USNHOXASBRZIBW-XJKSGUPXSA-N 1 0 378.365 4.432 20 0 GIADRO O=C(c1ccc(Sc2ccccn2)cc1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000126774932 823947924 /nfs/dbraw/zinc/94/79/24/823947924.db2.gz BHVLBFGSGIOHQL-GHTZIAJQSA-N 1 0 393.556 4.322 20 0 GIADRO CC(C)(CC[NH2+][C@H](Cc1cccc(F)c1)c1cccc(F)c1)S(C)(=O)=O ZINC000414269322 823948020 /nfs/dbraw/zinc/94/80/20/823948020.db2.gz UKIMREARKMLTBS-LJQANCHMSA-N 1 0 381.488 4.052 20 0 GIADRO CC[C@@H](NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1)c1ccc(F)cc1F ZINC000126774349 823948105 /nfs/dbraw/zinc/94/81/05/823948105.db2.gz IBLIUIPNTAMSFM-LJQANCHMSA-N 1 0 379.426 4.116 20 0 GIADRO CCC[NH+]1CCC(CNC(=O)Nc2cnn(-c3ccccc3)c2C(C)C)CC1 ZINC000192333040 823949051 /nfs/dbraw/zinc/94/90/51/823949051.db2.gz VUPWUSRYZAVLHI-UHFFFAOYSA-N 1 0 383.540 4.239 20 0 GIADRO CC(=O)N1CC[C@H]([NH2+][C@@H]2CCCc3nc(-c4ccc(Cl)cc4)sc32)C1 ZINC000575238193 823949119 /nfs/dbraw/zinc/94/91/19/823949119.db2.gz SHXMZVHDEVVBTG-JKSUJKDBSA-N 1 0 375.925 4.051 20 0 GIADRO CC(C)(CC[NH2+][C@@H]1CCCc2nc(-c3ccccc3F)sc21)S(C)(=O)=O ZINC000414274537 823949310 /nfs/dbraw/zinc/94/93/10/823949310.db2.gz ZHPPIUUBHNDOPN-OAHLLOKOSA-N 1 0 396.553 4.130 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)Nc1ccc2c(c1)C(=O)CCCC2 ZINC000575241452 823949968 /nfs/dbraw/zinc/94/99/68/823949968.db2.gz KEHMMLALFYPSBN-UHFFFAOYSA-N 1 0 385.533 4.253 20 0 GIADRO CC(C)C[NH+]1CCC(NC(=O)Nc2cnn(-c3ccccc3)c2C(C)C)CC1 ZINC000192335495 823950001 /nfs/dbraw/zinc/95/00/01/823950001.db2.gz XPJKNPKNVCOAHK-UHFFFAOYSA-N 1 0 383.540 4.238 20 0 GIADRO CCn1ccnc1[C@@H](C)[NH2+]CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000575248919 823950678 /nfs/dbraw/zinc/95/06/78/823950678.db2.gz YJPBROQGUFJNRI-QGZVFWFLSA-N 1 0 378.476 4.375 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cccn2Cc2cccs2)C1 ZINC000065141058 823950772 /nfs/dbraw/zinc/95/07/72/823950772.db2.gz TWEJHCBVKZDOMM-IEBWSBKVSA-N 1 0 379.529 4.163 20 0 GIADRO Cc1cc(Br)ccc1C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000065141112 823950858 /nfs/dbraw/zinc/95/08/58/823950858.db2.gz GWKPAMOKEWFYNK-CRAIPNDOSA-N 1 0 387.321 4.323 20 0 GIADRO C[C@H](C[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1)CC(F)(F)F ZINC000414288885 823951967 /nfs/dbraw/zinc/95/19/67/823951967.db2.gz VJMLGXQGKPBSJU-QWRGUYRKSA-N 1 0 381.236 4.344 20 0 GIADRO Cc1cc(C[NH2+]CCCS(=O)(=O)Cc2ccccc2)ccc1C(F)(F)F ZINC000414290907 823952334 /nfs/dbraw/zinc/95/23/34/823952334.db2.gz OBLHXPNIYCEXAZ-UHFFFAOYSA-N 1 0 385.451 4.109 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCCC(F)(F)[C@H]1O)c1ccc(OC(F)F)cc1OC(F)F ZINC000414304144 823954750 /nfs/dbraw/zinc/95/47/50/823954750.db2.gz QLIGTGYSGQYXDG-KDDOJWQBSA-N 1 0 387.320 4.089 20 0 GIADRO CC[C@@H](C)NC(=O)c1cccc(C[NH2+]Cc2cn(-c3cccc(F)c3)nc2C)c1 ZINC000414310205 823955114 /nfs/dbraw/zinc/95/51/14/823955114.db2.gz KJSZMQASGVJBEM-MRXNPFEDSA-N 1 0 394.494 4.138 20 0 GIADRO Cc1nn(-c2cccc(F)c2)cc1C[NH2+]Cc1ccc(N2CCCCCC2)nc1 ZINC000414307777 823955144 /nfs/dbraw/zinc/95/51/44/823955144.db2.gz HMIFOLCQHBHRES-UHFFFAOYSA-N 1 0 393.510 4.385 20 0 GIADRO CCc1ncc(C[NH2+][C@@H](C)c2ccc(OCc3ccccc3)c(OC)c2)cn1 ZINC000414306979 823955183 /nfs/dbraw/zinc/95/51/83/823955183.db2.gz ZPQUBDNOMDWJEG-KRWDZBQOSA-N 1 0 377.488 4.477 20 0 GIADRO CC[C@H](C)NC(=O)c1cccc(C[NH2+]Cc2cn(-c3cccc(F)c3)nc2C)c1 ZINC000414310201 823955270 /nfs/dbraw/zinc/95/52/70/823955270.db2.gz KJSZMQASGVJBEM-INIZCTEOSA-N 1 0 394.494 4.138 20 0 GIADRO CCc1ncc(C[NH2+][C@H](Cc2ccccc2C)c2ccc(OC)c(OC)c2)cn1 ZINC000414309620 823955366 /nfs/dbraw/zinc/95/53/66/823955366.db2.gz VGWRWYURGQCGON-OAQYLSRUSA-N 1 0 391.515 4.438 20 0 GIADRO COC[C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)c(Br)c2)C1 ZINC000575324982 823955740 /nfs/dbraw/zinc/95/57/40/823955740.db2.gz GDIWIRTWJYYVGN-SFHVURJKSA-N 1 0 390.321 4.496 20 0 GIADRO Cc1ccccc1C(C)(C)[NH2+]CCS(=O)(=O)c1ccc(Br)cc1 ZINC000575325591 823955914 /nfs/dbraw/zinc/95/59/14/823955914.db2.gz PWWWVEJJFUGIPY-UHFFFAOYSA-N 1 0 396.350 4.056 20 0 GIADRO Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000414315497 823956792 /nfs/dbraw/zinc/95/67/92/823956792.db2.gz SHTKXHQUISZOOX-CQSZACIVSA-N 1 0 378.451 4.055 20 0 GIADRO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2ccc(OCc3nccn3C)cc2)cn1 ZINC000126811614 823957147 /nfs/dbraw/zinc/95/71/47/823957147.db2.gz SLDSHNKAGQFWAU-SFHVURJKSA-N 1 0 393.535 4.091 20 0 GIADRO Cc1ccc2c(CC(=O)N(C)CC3CCN(c4cc[nH+]cc4)CC3)coc2c1C ZINC000126811626 823957261 /nfs/dbraw/zinc/95/72/61/823957261.db2.gz GPJMWVAOJLPTIZ-UHFFFAOYSA-N 1 0 391.515 4.362 20 0 GIADRO C[C@H]([NH2+]Cc1cnc(N(C)C)n1C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000414321092 823957892 /nfs/dbraw/zinc/95/78/92/823957892.db2.gz DGQMIRADMHRSBN-INIZCTEOSA-N 1 0 382.483 4.055 20 0 GIADRO O=C(CCCc1ccc(Br)s1)N1CCC([NH2+]C2CCCC2)CC1 ZINC000126821651 823959554 /nfs/dbraw/zinc/95/95/54/823959554.db2.gz YUJDVMGZLDIZOO-UHFFFAOYSA-N 1 0 399.398 4.357 20 0 GIADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC(C)(C)c1cccnc1 ZINC000414331626 823959782 /nfs/dbraw/zinc/95/97/82/823959782.db2.gz KJSQDVLRESEAJB-AWEZNQCLSA-N 1 0 390.325 4.129 20 0 GIADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC(C)(C)c1cccnc1 ZINC000414331628 823959848 /nfs/dbraw/zinc/95/98/48/823959848.db2.gz KJSQDVLRESEAJB-CQSZACIVSA-N 1 0 390.325 4.129 20 0 GIADRO CCc1ncc(C[NH2+][C@H]2c3cc(Br)ccc3SC[C@@H]2C)cn1 ZINC000414329757 823959966 /nfs/dbraw/zinc/95/99/66/823959966.db2.gz INGFWRBWXDSTRO-APPDUMDISA-N 1 0 378.339 4.374 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N[C@H]1CCSc2c(F)cccc21 ZINC000126825530 823960329 /nfs/dbraw/zinc/96/03/29/823960329.db2.gz VORXWEIURYMAFA-DLBZAZTESA-N 1 0 389.496 4.092 20 0 GIADRO C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CC1(CS(C)(=O)=O)CCC1 ZINC000414339548 823961302 /nfs/dbraw/zinc/96/13/02/823961302.db2.gz ZKNMHCRLAMZDPO-MRXNPFEDSA-N 1 0 376.566 4.029 20 0 GIADRO COc1ccc2c(c1F)CC[C@H]2[NH2+]Cc1ccc(COC2CCOCC2)cc1 ZINC000575356631 823961358 /nfs/dbraw/zinc/96/13/58/823961358.db2.gz MZXDUJPACBBTDY-OAQYLSRUSA-N 1 0 385.479 4.307 20 0 GIADRO Cc1ccncc1[C@H](C)[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000414348202 823962292 /nfs/dbraw/zinc/96/22/92/823962292.db2.gz IQROEOYIJYSNBS-INIZCTEOSA-N 1 0 388.353 4.468 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2)C1)c1ccc(OCc2nccn2C)cc1 ZINC000414352461 823963272 /nfs/dbraw/zinc/96/32/72/823963272.db2.gz UEFJMFKZZUCWQB-FXAWDEMLSA-N 1 0 394.494 4.068 20 0 GIADRO CCC[C@H](NC(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1)c1ccccc1 ZINC000170756672 823963314 /nfs/dbraw/zinc/96/33/14/823963314.db2.gz UCDZELLGKYEJQK-QHCPKHFHSA-N 1 0 394.563 4.271 20 0 GIADRO CC(C)[C@H]1C[C@H]([NH2+]C2CCN(Cc3cccc(Br)c3)CC2)CCO1 ZINC000414352312 823963344 /nfs/dbraw/zinc/96/33/44/823963344.db2.gz PIBJNTSEZIMKTP-WOJBJXKFSA-N 1 0 395.385 4.207 20 0 GIADRO COc1ccc2c(c1)C1(CC1)C[N@@H+](CCC(=O)Nc1ccc(Cl)cc1F)C2 ZINC000575370286 823963609 /nfs/dbraw/zinc/96/36/09/823963609.db2.gz XWOLRWBALGJQKR-UHFFFAOYSA-N 1 0 388.870 4.364 20 0 GIADRO COC1(C[C@H](C)[NH2+]C2CCN(Cc3cccc(Br)c3)CC2)CCC1 ZINC000414356505 823963690 /nfs/dbraw/zinc/96/36/90/823963690.db2.gz ZUUGMKOBTIFQRZ-INIZCTEOSA-N 1 0 395.385 4.351 20 0 GIADRO C[C@H](CC[NH2+]Cc1ccc(S(C)(=O)=O)s1)c1cccc(C(F)(F)F)c1 ZINC000414359532 823965008 /nfs/dbraw/zinc/96/50/08/823965008.db2.gz DXYWETSYLUBUAU-GFCCVEGCSA-N 1 0 391.480 4.454 20 0 GIADRO O[C@H](C[NH2+][C@H]1CCOc2c(-c3ccccc3)cccc21)COCc1cccs1 ZINC000575377199 823965559 /nfs/dbraw/zinc/96/55/59/823965559.db2.gz HQWNNOOGTZFGJU-GCJKJVERSA-N 1 0 395.524 4.406 20 0 GIADRO O=C(N[C@@H]1CCOc2c(F)ccc(F)c21)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000462420018 823968192 /nfs/dbraw/zinc/96/81/92/823968192.db2.gz UIDMWTRDYGRUDW-LJQANCHMSA-N 1 0 386.442 4.204 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)C2CCCC2)C1)c1ccc(F)cc1Br ZINC000126861428 823968939 /nfs/dbraw/zinc/96/89/39/823968939.db2.gz AARBLWRLUNPSGG-IUODEOHRSA-N 1 0 383.305 4.030 20 0 GIADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1ncc(C(C)C)s1 ZINC000192396537 823970040 /nfs/dbraw/zinc/97/00/40/823970040.db2.gz UJTURBLJCIRRAN-QGZVFWFLSA-N 1 0 387.553 4.180 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cccnc2Br)cc1 ZINC000126867896 823970517 /nfs/dbraw/zinc/97/05/17/823970517.db2.gz MBXTYWKKGIZZRI-AWEZNQCLSA-N 1 0 388.309 4.471 20 0 GIADRO CSc1ccc(S(=O)(=O)Nc2ccc(C[NH+](C)C)cc2F)cc1Cl ZINC000414391721 823971311 /nfs/dbraw/zinc/97/13/11/823971311.db2.gz BWOFOFHGPLEYDX-UHFFFAOYSA-N 1 0 388.917 4.063 20 0 GIADRO CC(C)C[N@H+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)[C@@H]1CCCc2cccnc21 ZINC000126887738 823974582 /nfs/dbraw/zinc/97/45/82/823974582.db2.gz REPXINOCCJMNLE-ZWKOTPCHSA-N 1 0 397.485 4.218 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@]1(C)CCCc2ccccc21 ZINC000126902729 823977082 /nfs/dbraw/zinc/97/70/82/823977082.db2.gz PHNYJEIWBVDJTE-DEOSSOPVSA-N 1 0 377.532 4.051 20 0 GIADRO CC(C)[C@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)N(C)[C@H]3CCC[C@@H](C)C3)c2C1 ZINC000170820272 823979659 /nfs/dbraw/zinc/97/96/59/823979659.db2.gz VNSXYKXRPSWDNT-AOIWGVFYSA-N 1 0 385.552 4.022 20 0 GIADRO O[C@H](CO[C@@H]1CCCc2ccccc21)C[NH+]1CCC(OC2CCCCC2)CC1 ZINC000126915973 823980042 /nfs/dbraw/zinc/98/00/42/823980042.db2.gz KUZYQTPOVNWYJB-GBXCKJPGSA-N 1 0 387.564 4.255 20 0 GIADRO Cc1cc(NC(=O)N2CC[C@@H](C)[C@H](n3ccnc3)C2)cc(C)c1Br ZINC000192417801 823980332 /nfs/dbraw/zinc/98/03/32/823980332.db2.gz DXWAMTNNPSIFCL-MLGOLLRUSA-N 1 0 391.313 4.377 20 0 GIADRO Cc1cc(NC(=O)N2CC[C@@H](C)[C@@H](n3ccnc3)C2)cc(C)c1Br ZINC000192417804 823980457 /nfs/dbraw/zinc/98/04/57/823980457.db2.gz DXWAMTNNPSIFCL-WBMJQRKESA-N 1 0 391.313 4.377 20 0 GIADRO COc1cccc([C@H]2C[C@H](NC(=O)Nc3cc(C[NH3+])cc(C(F)(F)F)c3)C2)c1 ZINC000575732139 823982445 /nfs/dbraw/zinc/98/24/45/823982445.db2.gz KUXOHCCDQZWHKY-CZIWCDLHSA-N 1 0 393.409 4.240 20 0 GIADRO Cc1nn(-c2cccc(F)c2)cc1CNc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000414429058 823982886 /nfs/dbraw/zinc/98/28/86/823982886.db2.gz BVTMMLFCUXXOSG-OAQYLSRUSA-N 1 0 380.467 4.317 20 0 GIADRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)/C=C/Sc1ccccc1)c1ccccc1O2 ZINC000170830717 823983294 /nfs/dbraw/zinc/98/32/94/823983294.db2.gz LNULLNKICJNNTK-MBNYPGIVSA-N 1 0 394.540 4.397 20 0 GIADRO CN(C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000126933124 823984398 /nfs/dbraw/zinc/98/43/98/823984398.db2.gz AOJWJTWPFDOLLV-SJORKVTESA-N 1 0 398.469 4.493 20 0 GIADRO Cc1cc(C[NH+]2CCC(c3nnc4n3CCCC4)CC2)ccc1C(F)(F)F ZINC000414431980 823984493 /nfs/dbraw/zinc/98/44/93/823984493.db2.gz LZXQRFAFBUXXRA-UHFFFAOYSA-N 1 0 378.442 4.321 20 0 GIADRO Cc1cc(OC[C@@H](O)C[NH2+]C[C@H](C)c2nccs2)c(C(C)C)cc1Cl ZINC000575742569 823984620 /nfs/dbraw/zinc/98/46/20/823984620.db2.gz LHEYRXKETPIHFG-GJZGRUSLSA-N 1 0 382.957 4.361 20 0 GIADRO Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000414435086 823984895 /nfs/dbraw/zinc/98/48/95/823984895.db2.gz RIVWTJXTPXBXAA-RTWAWAEBSA-N 1 0 387.405 4.218 20 0 GIADRO C[C@H](c1ccc(F)c(F)c1)[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000170834640 823985210 /nfs/dbraw/zinc/98/52/10/823985210.db2.gz NTQWNLQCOGEZKF-CYBMUJFWSA-N 1 0 388.414 4.105 20 0 GIADRO Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)CCCC[NH3+] ZINC000575749728 823985904 /nfs/dbraw/zinc/98/59/04/823985904.db2.gz XDDVSFMDZIDWSO-UHFFFAOYSA-N 1 0 393.409 4.334 20 0 GIADRO CN(C(=O)[C@@H]1CSc2ccccc21)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000126943787 823986087 /nfs/dbraw/zinc/98/60/87/823986087.db2.gz WIOCZRVTMNGQNZ-HXUWFJFHSA-N 1 0 382.529 4.014 20 0 GIADRO CCOc1ccc(C(=O)N2CCC([NH2+]C3CC(c4ccccc4F)C3)CC2)cc1 ZINC000126942339 823986248 /nfs/dbraw/zinc/98/62/48/823986248.db2.gz YUYQIWUZLFKHCI-UHFFFAOYSA-N 1 0 396.506 4.365 20 0 GIADRO Cc1cnn([C@@H]2CC[N@H+](CCC(=O)Nc3ccccc3Oc3ccccc3)C2)c1 ZINC000575753009 823986321 /nfs/dbraw/zinc/98/63/21/823986321.db2.gz LRPLZZCJYBICQI-LJQANCHMSA-N 1 0 390.487 4.259 20 0 GIADRO CCc1nc([C@H](C)NC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)cs1 ZINC000126945506 823987140 /nfs/dbraw/zinc/98/71/40/823987140.db2.gz AULHHBWMMKDXJG-IRXDYDNUSA-N 1 0 386.565 4.073 20 0 GIADRO OCC[C@@H]1CN(CC2CCC(F)(F)CC2)CC[N@@H+]1CC1CCC(F)(F)CC1 ZINC000575759682 823988054 /nfs/dbraw/zinc/98/80/54/823988054.db2.gz VEFILGRGTZSMAX-GOSISDBHSA-N 1 0 394.497 4.006 20 0 GIADRO Cc1nn(-c2ccccc2)cc1CCC[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000575771273 823990405 /nfs/dbraw/zinc/99/04/05/823990405.db2.gz BGIMXDJQGJGJTB-UHFFFAOYSA-N 1 0 389.528 4.422 20 0 GIADRO Cn1nccc1[C@H]1[C@H](CNc2ncnc3sc(C(C)(C)C)cc32)CCC[N@@H+]1C ZINC000575773859 823991557 /nfs/dbraw/zinc/99/15/57/823991557.db2.gz RKTDGMCKEPOZQQ-KBXCAEBGSA-N 1 0 398.580 4.217 20 0 GIADRO COc1cccc2c1CC[C@@H]([NH2+][C@H](C)c1ccc(NC(=O)NC3CC3)cc1)C2 ZINC000192439392 823993615 /nfs/dbraw/zinc/99/36/15/823993615.db2.gz QBJNILYQAOEPSM-FOIQADDNSA-N 1 0 379.504 4.187 20 0 GIADRO CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000126984437 823994467 /nfs/dbraw/zinc/99/44/67/823994467.db2.gz BIWKGDXKAMCSMS-NFBKMPQASA-N 1 0 399.604 4.373 20 0 GIADRO COc1cccc2c1CC[C@@H]([NH2+]Cc1cccc(COC3CCOCC3)c1)C2 ZINC000192442401 823994771 /nfs/dbraw/zinc/99/47/71/823994771.db2.gz LAGNERNSOZNAFT-OAQYLSRUSA-N 1 0 381.516 4.038 20 0 GIADRO COc1cccc2c1CC[C@H]([NH2+]CCCc1nc(-c3ccncc3)cs1)C2 ZINC000192445462 823995226 /nfs/dbraw/zinc/99/52/26/823995226.db2.gz NLPABLRDKBDUEG-SFHVURJKSA-N 1 0 379.529 4.293 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H]2CS[C@@H](C(C)(C)C)C2)c1 ZINC000414497876 823995706 /nfs/dbraw/zinc/99/57/06/823995706.db2.gz VAVPBSUUQKHJEX-GDBMZVCRSA-N 1 0 375.987 4.143 20 0 GIADRO CO[C@@](C)([C@@H](C)[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1)C1CC1 ZINC000414499078 823995845 /nfs/dbraw/zinc/99/58/45/823995845.db2.gz JEZZIIDXFOMSRP-XIKOKIGWSA-N 1 0 378.314 4.132 20 0 GIADRO COc1cc(C[NH2+]Cc2cnccc2C(C)(C)C)cc(Br)c1O ZINC000414499144 823995920 /nfs/dbraw/zinc/99/59/20/823995920.db2.gz NXDBQRFZMKCKTN-UHFFFAOYSA-N 1 0 379.298 4.146 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H]2CS[C@H](C(C)(C)C)C2)c1 ZINC000414497879 823995931 /nfs/dbraw/zinc/99/59/31/823995931.db2.gz VAVPBSUUQKHJEX-ZBFHGGJFSA-N 1 0 375.987 4.143 20 0 GIADRO COc1ccc([C@H]([NH2+][C@@H](C)C(=O)Nc2cccc3ncccc32)C2CC2)cc1 ZINC000170874204 823996342 /nfs/dbraw/zinc/99/63/42/823996342.db2.gz XIGBDGSRBLRQQU-OYHNWAKOSA-N 1 0 375.472 4.311 20 0 GIADRO C[C@]1(C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)CCCc2ccccc21 ZINC000126995615 823997165 /nfs/dbraw/zinc/99/71/65/823997165.db2.gz NQHDOYVLTBVZTD-VWLOTQADSA-N 1 0 392.543 4.124 20 0 GIADRO Cc1ccc(Br)c(CNCc2nc3c(s2)C[N@H+](C(C)C)CC3)c1 ZINC000414507664 823997882 /nfs/dbraw/zinc/99/78/82/823997882.db2.gz AAMLYDHZBULJLY-UHFFFAOYSA-N 1 0 394.382 4.270 20 0 GIADRO CCCOc1c(Br)cc(C[NH2+]C[C@@H]2C[C@H](C)O[C@@H]2C)cc1OC ZINC000414508253 823997899 /nfs/dbraw/zinc/99/78/99/823997899.db2.gz AYFCKQKUYAXADP-GUTXKFCHSA-N 1 0 386.330 4.150 20 0 GIADRO COC(=O)c1ccc(COc2ccc(C[NH2+][C@@H]3CCCC[C@H]3F)cc2OC)o1 ZINC000414511298 823999032 /nfs/dbraw/zinc/99/90/32/823999032.db2.gz KKXGLPZVXFYRNA-IAGOWNOFSA-N 1 0 391.439 4.024 20 0 GIADRO O=C(c1ccc(Oc2ccc(F)c(F)c2)cc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000127006374 823999328 /nfs/dbraw/zinc/99/93/28/823999328.db2.gz XJOCYSNAXZRZHD-INIZCTEOSA-N 1 0 386.442 4.315 20 0 GIADRO CC[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2)CC(F)(F)F ZINC000414517764 823999750 /nfs/dbraw/zinc/99/97/50/823999750.db2.gz SIBAPNALUYDTJV-CQSZACIVSA-N 1 0 397.441 4.317 20 0 GIADRO Clc1cccc(Cl)c1-c1nnc(C[N@@H+]2CC[C@@H](c3cccnc3)C2)o1 ZINC000575799907 823999859 /nfs/dbraw/zinc/99/98/59/823999859.db2.gz FLRBPVXTLFDNFQ-CYBMUJFWSA-N 1 0 375.259 4.428 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)C[N@@H+](CC(C)C)[C@H]2CCCc3cccnc32)cc1 ZINC000127008773 824000186 /nfs/dbraw/zinc/00/01/86/824000186.db2.gz QBRTWYGUNFVAPO-NRFANRHFSA-N 1 0 394.519 4.014 20 0 GIADRO CCC(CC)(Cc1nc2ccccc2s1)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000575805245 824000455 /nfs/dbraw/zinc/00/04/55/824000455.db2.gz JOLZHCUOSXQGHS-NRFANRHFSA-N 1 0 385.577 4.247 20 0 GIADRO CC[C@H](CC(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccccc1 ZINC000127012186 824000578 /nfs/dbraw/zinc/00/05/78/824000578.db2.gz LENNQYHURRVZSZ-OAQYLSRUSA-N 1 0 380.532 4.413 20 0 GIADRO FC(F)(F)c1cccc(CCCC[NH2+]CCc2nnc3n2CCCCC3)c1 ZINC000192464058 824000769 /nfs/dbraw/zinc/00/07/69/824000769.db2.gz SWRLUNNSODJJKE-UHFFFAOYSA-N 1 0 380.458 4.178 20 0 GIADRO C[C@@H](C[NH2+][C@@H](c1ccccc1)C1(CO)CCOCC1)c1cc(F)cc(F)c1 ZINC000414522673 824001293 /nfs/dbraw/zinc/00/12/93/824001293.db2.gz CBKCQKXVZRUFGJ-KKSFZXQISA-N 1 0 375.459 4.188 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)[C@@H]1CCCc2cccnc21 ZINC000192466372 824002216 /nfs/dbraw/zinc/00/22/16/824002216.db2.gz QWKOOLNHMYSWQQ-JOCHJYFZSA-N 1 0 377.532 4.194 20 0 GIADRO C[C@H]1C[C@H]([NH3+])CCN1CC(=O)Nc1ccccc1Sc1ccc(Cl)cc1 ZINC000575811855 824002152 /nfs/dbraw/zinc/00/21/52/824002152.db2.gz FMNYCULZSXAMDG-GOEBONIOSA-N 1 0 389.952 4.241 20 0 GIADRO CC(C)Sc1ccccc1NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000127025294 824002755 /nfs/dbraw/zinc/00/27/55/824002755.db2.gz SCJXWWXSOAGUKT-RTBURBONSA-N 1 0 391.581 4.077 20 0 GIADRO CC1(C)[C@H]([NH2+][C@H]2CCN(C(=O)Nc3ccccc3)C2)C[C@@H]1Oc1ccccc1 ZINC000575821364 824003559 /nfs/dbraw/zinc/00/35/59/824003559.db2.gz XXFGPFIYFFMZOT-TYPHKJRUSA-N 1 0 379.504 4.129 20 0 GIADRO C[C@H]1C[C@@H]([N@H+](C)Cc2cc3ccccc3n(C)c2=O)CCN1Cc1ccccc1 ZINC000575822584 824003977 /nfs/dbraw/zinc/00/39/77/824003977.db2.gz PWKNLKVEKJHXHU-CVDCTZTESA-N 1 0 389.543 4.023 20 0 GIADRO CCCCOc1ccc([C@H](C)[NH2+][C@H]2CCN(C(=O)C3CCCC3)C2)cc1OC ZINC000127031092 824004043 /nfs/dbraw/zinc/00/40/43/824004043.db2.gz GOYRGYMJMZHWJE-PXNSSMCTSA-N 1 0 388.552 4.316 20 0 GIADRO OCC1([C@H]([NH2+]Cc2cc(C(F)(F)F)ccc2F)c2ccccc2)CCOCC1 ZINC000414536060 824004317 /nfs/dbraw/zinc/00/43/17/824004317.db2.gz IYGSWJTWHAXNCE-LJQANCHMSA-N 1 0 397.412 4.465 20 0 GIADRO CCCOc1cc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCOCC2)ccc1OC ZINC000414534896 824004421 /nfs/dbraw/zinc/00/44/21/824004421.db2.gz HEFVIOVYWURANW-QHCPKHFHSA-N 1 0 399.531 4.104 20 0 GIADRO O=C(CCc1nc2ccccc2s1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000192473400 824004527 /nfs/dbraw/zinc/00/45/27/824004527.db2.gz FBDYQQPAKSSXCR-UHFFFAOYSA-N 1 0 379.529 4.141 20 0 GIADRO Cc1ccc(CCC(=O)N[C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)c(C)c1 ZINC000192477251 824005936 /nfs/dbraw/zinc/00/59/36/824005936.db2.gz SCVQTXKIVQCOBS-QFIPXVFZSA-N 1 0 392.543 4.340 20 0 GIADRO Cc1ccc(CCC(=O)N[C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)c(C)c1 ZINC000192477241 824006028 /nfs/dbraw/zinc/00/60/28/824006028.db2.gz SCVQTXKIVQCOBS-JOCHJYFZSA-N 1 0 392.543 4.340 20 0 GIADRO C[NH+](C)C[C@H]1CCN(C(=O)Nc2cccc(Cl)c2SCC(F)F)C1 ZINC000127043070 824006017 /nfs/dbraw/zinc/00/60/17/824006017.db2.gz TZJUVGQUBMHTQL-LLVKDONJSA-N 1 0 377.888 4.113 20 0 GIADRO O=C(Nc1cccc(C[NH2+]C[C@H](O)C2CC2)c1)c1ccc(Cl)cc1Cl ZINC000575830435 824006219 /nfs/dbraw/zinc/00/62/19/824006219.db2.gz FBBGSEYFSJSWLG-SFHVURJKSA-N 1 0 379.287 4.106 20 0 GIADRO OCC1([C@H]([NH2+]Cc2cnc(C3CCCC3)s2)c2ccccc2)CCOCC1 ZINC000414542737 824006345 /nfs/dbraw/zinc/00/63/45/824006345.db2.gz SBMSCHMNTUQALT-HXUWFJFHSA-N 1 0 386.561 4.421 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1cc2cc(Cl)ccc2[nH]1 ZINC000127048465 824006950 /nfs/dbraw/zinc/00/69/50/824006950.db2.gz NCXRHLSGFDPUOP-UHFFFAOYSA-N 1 0 397.906 4.278 20 0 GIADRO CC(C)(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000414544078 824006990 /nfs/dbraw/zinc/00/69/90/824006990.db2.gz CWIUNCIJIXQGMU-HXUWFJFHSA-N 1 0 394.563 4.147 20 0 GIADRO CC(C)COc1cccc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCOCC2)c1 ZINC000414544385 824007030 /nfs/dbraw/zinc/00/70/30/824007030.db2.gz UROSKLFSVZPNJY-QHCPKHFHSA-N 1 0 383.532 4.341 20 0 GIADRO CC[NH+]1C[C@H](C)N(C(=O)c2ccc(SCc3csc(C)n3)cc2)[C@@H](C)C1 ZINC000575833746 824007111 /nfs/dbraw/zinc/00/71/11/824007111.db2.gz RUUBAZHSGXGRKT-GJZGRUSLSA-N 1 0 389.590 4.299 20 0 GIADRO OCC1([C@H]([NH2+]Cc2cc(F)cc(C(F)(F)F)c2)c2ccccc2)CCOCC1 ZINC000414546167 824007513 /nfs/dbraw/zinc/00/75/13/824007513.db2.gz XNCMQVPBKBXFET-LJQANCHMSA-N 1 0 397.412 4.465 20 0 GIADRO C[N@H+]1C[C@H]2CN(C(=O)c3oc4ccccc4c3CSc3cccs3)C[C@H]2C1 ZINC000192482508 824008269 /nfs/dbraw/zinc/00/82/69/824008269.db2.gz XHLJZTIURXGADI-GASCZTMLSA-N 1 0 398.553 4.420 20 0 GIADRO CSc1ccccc1OC[C@@H](O)C[N@H+](Cc1cnn(C(C)(C)C)c1)C(C)C ZINC000414551778 824009581 /nfs/dbraw/zinc/00/95/81/824009581.db2.gz KBJYATUPUAEVGI-SFHVURJKSA-N 1 0 391.581 4.010 20 0 GIADRO CSc1ccccc1OC[C@H](O)C[N@H+](Cc1cc2cccnc2o1)C(C)C ZINC000414552583 824010251 /nfs/dbraw/zinc/01/02/51/824010251.db2.gz KLZIRLNNMHEJAT-QGZVFWFLSA-N 1 0 386.517 4.200 20 0 GIADRO C[NH+](C)CC[C@H](NC(=O)NC[C@@H](Cc1ccccc1)C(F)(F)F)C(C)(C)C ZINC000575845503 824010676 /nfs/dbraw/zinc/01/06/76/824010676.db2.gz OUIXSZYWNIMESA-SJORKVTESA-N 1 0 387.490 4.073 20 0 GIADRO COc1cccc([C@H](CNC(=O)Nc2ccc3oc(C)nc3c2)[NH+]2CCCC2)c1 ZINC000127069401 824011098 /nfs/dbraw/zinc/01/10/98/824011098.db2.gz HESIFRVYSVKRNJ-FQEVSTJZSA-N 1 0 394.475 4.103 20 0 GIADRO COc1ccc(-n2cc(C[N@@H+]3CC4(CCOCC4)[C@H]3c3ccccc3)cn2)cc1 ZINC000414559442 824012553 /nfs/dbraw/zinc/01/25/53/824012553.db2.gz PUCGDGXKMZMYGR-HSZRJFAPSA-N 1 0 389.499 4.235 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)C1(c2ccc(F)cc2)CCC1 ZINC000127078200 824012869 /nfs/dbraw/zinc/01/28/69/824012869.db2.gz KNDPJLXXACLJEJ-UHFFFAOYSA-N 1 0 396.506 4.090 20 0 GIADRO Cc1cccnc1[C@@H](NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)C(C)C ZINC000127078657 824012982 /nfs/dbraw/zinc/01/29/82/824012982.db2.gz JOCIXTXIJVUBTD-CBNMVNINSA-N 1 0 386.584 4.429 20 0 GIADRO COCCc1ccc(Oc2ccc(NC(=O)C3CC[NH+](C4CC4)CC3)cc2)cc1 ZINC000192505269 824013875 /nfs/dbraw/zinc/01/38/75/824013875.db2.gz SBMXYVHNHDBVMG-UHFFFAOYSA-N 1 0 394.515 4.481 20 0 GIADRO OC[C@@H]1CCC[C@@H]([NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)C1 ZINC000414571795 824014489 /nfs/dbraw/zinc/01/44/89/824014489.db2.gz KTFQJLGTNXRRHB-IUODEOHRSA-N 1 0 381.339 4.213 20 0 GIADRO CC(C)Oc1cc(Br)cc(NC(=O)[C@](C)([NH3+])c2ccccc2)c1 ZINC000192507550 824014896 /nfs/dbraw/zinc/01/48/96/824014896.db2.gz XTVLLLHADRVSFQ-GOSISDBHSA-N 1 0 377.282 4.049 20 0 GIADRO [NH3+]C1CCN(Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)CC1 ZINC000575867879 824015752 /nfs/dbraw/zinc/01/57/52/824015752.db2.gz FIJTYSUDLIMFRO-UHFFFAOYSA-N 1 0 386.499 4.268 20 0 GIADRO CC[C@@H]1c2ccsc2CCN1C(=O)C[NH2+][C@H](c1ccc(OC)cc1)C1CC1 ZINC000192509413 824015907 /nfs/dbraw/zinc/01/59/07/824015907.db2.gz JAVIBZQYMKXUDF-KNQAVFIVSA-N 1 0 384.545 4.333 20 0 GIADRO CCc1cnc(C[NH2+]C2CCN(Cc3cccc(Br)c3)CC2)s1 ZINC000414584559 824016208 /nfs/dbraw/zinc/01/62/08/824016208.db2.gz JDFFTGSELIKBGT-UHFFFAOYSA-N 1 0 394.382 4.222 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)N1CCCCC[C@@H]1c1ccncc1)c1ccc(F)cc1 ZINC000127112613 824019915 /nfs/dbraw/zinc/01/99/15/824019915.db2.gz JVZUVFOHDQIFEI-RTWAWAEBSA-N 1 0 384.499 4.150 20 0 GIADRO CC[C@@H](C)c1ccc([C@@H](NC(=O)C(=O)Nc2ccc(C[NH3+])cc2)C(C)C)cc1 ZINC000414656952 824021167 /nfs/dbraw/zinc/02/11/67/824021167.db2.gz GTLQUOGGUHFKRL-IERDGZPVSA-N 1 0 381.520 4.111 20 0 GIADRO CC[C@@H](C)c1ccc([C@H](NC(=O)C(=O)Nc2ccc(C[NH3+])cc2)C(C)C)cc1 ZINC000414656954 824021305 /nfs/dbraw/zinc/02/13/05/824021305.db2.gz GTLQUOGGUHFKRL-IIBYNOLFSA-N 1 0 381.520 4.111 20 0 GIADRO CC(C)[C@H](NC(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1)c1ccc(C(C)(C)C)cc1 ZINC000414668475 824022095 /nfs/dbraw/zinc/02/20/95/824022095.db2.gz IWFHVBGTBGYMSM-KKSFZXQISA-N 1 0 395.547 4.456 20 0 GIADRO O=C(Nc1cc(C(F)(F)F)ccc1Cl)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414676867 824022534 /nfs/dbraw/zinc/02/25/34/824022534.db2.gz UBYKLFMKRFSMJS-RYUDHWBXSA-N 1 0 375.822 4.212 20 0 GIADRO O=C(C[NH2+]C1(c2ccc(F)cc2)CCOCC1)Nc1c(Cl)cccc1Cl ZINC000170971279 824023045 /nfs/dbraw/zinc/02/30/45/824023045.db2.gz YMWBZZQHMZOURD-UHFFFAOYSA-N 1 0 397.277 4.367 20 0 GIADRO CCCOc1ccc(C(F)(F)F)cc1NC(=O)N1CCC(C[NH2+]CC)CC1 ZINC000414696791 824024840 /nfs/dbraw/zinc/02/48/40/824024840.db2.gz BKPXRPYVVCDJMN-UHFFFAOYSA-N 1 0 387.446 4.348 20 0 GIADRO Cc1nc2ccc(NC(=O)N3C[C@H]4CC[N@H+](Cc5ccccc5)C[C@@H]4C3)cc2o1 ZINC000575910060 824027061 /nfs/dbraw/zinc/02/70/61/824027061.db2.gz DWRZRKANIDKNCT-RTBURBONSA-N 1 0 390.487 4.122 20 0 GIADRO CCN(C(=O)C[NH2+][C@@H](c1ccccc1)C(C)(C)CO)[C@@H](C)c1ccc(F)cc1 ZINC000575910225 824027070 /nfs/dbraw/zinc/02/70/70/824027070.db2.gz MKOLIVDPRWMVOI-JTSKRJEESA-N 1 0 386.511 4.085 20 0 GIADRO O=C(C[NH2+]C1(c2ccccc2)CCC1)N[C@@H](c1nccs1)c1ccccc1 ZINC000170983757 824027766 /nfs/dbraw/zinc/02/77/66/824027766.db2.gz CNISYYTUFSBMMN-HXUWFJFHSA-N 1 0 377.513 4.018 20 0 GIADRO CCCc1c(C(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)[nH]c(C)c1C(C)=O ZINC000192546599 824027893 /nfs/dbraw/zinc/02/78/93/824027893.db2.gz LXOZFYSUUHTGBZ-HXUWFJFHSA-N 1 0 377.488 4.061 20 0 GIADRO Cc1ncc([C@@H](C)[NH2+]C[C@@H]2CCN(c3ccc(Br)cc3)C2)s1 ZINC000127155537 824028084 /nfs/dbraw/zinc/02/80/84/824028084.db2.gz UTJDVXPJRRRTEA-OCCSQVGLSA-N 1 0 380.355 4.391 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)C[N@@H+](C(C)C)C2CCCC2)c(C(F)(F)F)c1 ZINC000170986021 824028137 /nfs/dbraw/zinc/02/81/37/824028137.db2.gz FJDAPGHGDMAOLR-UHFFFAOYSA-N 1 0 385.430 4.255 20 0 GIADRO Cc1ccc(C2(C(=O)N[C@@H](C[NH3+])c3ccc4ccccc4c3)CCOCC2)cc1 ZINC000192547852 824028332 /nfs/dbraw/zinc/02/83/32/824028332.db2.gz UFKCOEUFPQTHPH-QHCPKHFHSA-N 1 0 388.511 4.013 20 0 GIADRO C[C@@H]1CCCN(C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)[C@@H]1C[NH3+] ZINC000414726592 824028367 /nfs/dbraw/zinc/02/83/67/824028367.db2.gz LHNCLNKEFLMMCS-DNVCBOLYSA-N 1 0 394.544 4.478 20 0 GIADRO C[N@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)Cc1cc(F)cc2c1OCOC2 ZINC000170987898 824028673 /nfs/dbraw/zinc/02/86/73/824028673.db2.gz LNMVAPYBIPWJLU-UHFFFAOYSA-N 1 0 399.441 4.286 20 0 GIADRO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000414729362 824029075 /nfs/dbraw/zinc/02/90/75/824029075.db2.gz DZJCZKVJBWCCAW-GFCCVEGCSA-N 1 0 394.302 4.000 20 0 GIADRO C[C@@H]1CN(C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)CC[C@@H]1[NH3+] ZINC000414732048 824029684 /nfs/dbraw/zinc/02/96/84/824029684.db2.gz UIANWWROXGJASE-PBHICJAKSA-N 1 0 380.517 4.088 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)CC[NH2+]1 ZINC000414732991 824029972 /nfs/dbraw/zinc/02/99/72/824029972.db2.gz JFAPPPWFNSZMRK-ZYHUDNBSSA-N 1 0 399.347 4.303 20 0 GIADRO [NH3+][C@H]1CCC[C@@H](CNC(=O)Nc2ncc(Cc3ccccc3Cl)s2)C1 ZINC000414734315 824030332 /nfs/dbraw/zinc/03/03/32/824030332.db2.gz KQOBFKSQWBJTFE-OCCSQVGLSA-N 1 0 378.929 4.026 20 0 GIADRO CN(C(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1)[C@H](C[NH3+])C1CC1 ZINC000414735099 824030444 /nfs/dbraw/zinc/03/04/44/824030444.db2.gz BXGIDSFIFMWSDX-CQSZACIVSA-N 1 0 384.427 4.030 20 0 GIADRO [NH3+][C@@H](CNC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccccc1 ZINC000414736000 824030836 /nfs/dbraw/zinc/03/08/36/824030836.db2.gz XUOVCSIEJYPLMR-INIZCTEOSA-N 1 0 392.425 4.127 20 0 GIADRO CCOc1ccc(Oc2ccc(NC(=O)N3CC[C@H](C)[C@@H](C[NH3+])C3)cc2)cc1 ZINC000414738689 824031222 /nfs/dbraw/zinc/03/12/22/824031222.db2.gz YYSOAMLYCNSLAX-IRXDYDNUSA-N 1 0 383.492 4.326 20 0 GIADRO [NH3+]C[C@H]1CC[C@H](NC(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)C1 ZINC000414742742 824032017 /nfs/dbraw/zinc/03/20/17/824032017.db2.gz UBAXQRICORSJOU-JQWIXIFHSA-N 1 0 399.347 4.290 20 0 GIADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)C1 ZINC000414745533 824032431 /nfs/dbraw/zinc/03/24/31/824032431.db2.gz KXNOTKPHSBLVSD-CMPLNLGQSA-N 1 0 384.427 4.030 20 0 GIADRO C[C@@H]1CCN(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)C[C@@H]1C[NH3+] ZINC000414750656 824033326 /nfs/dbraw/zinc/03/33/26/824033326.db2.gz MHELPEUIAPEGCN-ZBFHGGJFSA-N 1 0 380.517 4.412 20 0 GIADRO CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)cc1Cl ZINC000575943328 824033570 /nfs/dbraw/zinc/03/35/70/824033570.db2.gz SLMVDBORHSMSTI-CXAGYDPISA-N 1 0 394.865 4.041 20 0 GIADRO C[NH2+]CCC1CCN(C(=O)Nc2ccc(OC)c(Cc3ccccc3)c2)CC1 ZINC000414760451 824033582 /nfs/dbraw/zinc/03/35/82/824033582.db2.gz GXSAHILLTYOAPI-UHFFFAOYSA-N 1 0 381.520 4.139 20 0 GIADRO CCN(C(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1)[C@@H](C)c1cc2ccccc2o1 ZINC000414760995 824033598 /nfs/dbraw/zinc/03/35/98/824033598.db2.gz ZQUKDJJJRJTROL-GJZGRUSLSA-N 1 0 379.460 4.001 20 0 GIADRO Cc1cc2cc(CNC(=O)N3CCC[C@H](C[N@H+]4CCCC[C@@H]4C)C3)ccc2[nH]1 ZINC000575946235 824034476 /nfs/dbraw/zinc/03/44/76/824034476.db2.gz LQWGTXFAKUJEKZ-AZUAARDMSA-N 1 0 382.552 4.272 20 0 GIADRO COCc1ccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000192570607 824034863 /nfs/dbraw/zinc/03/48/63/824034863.db2.gz GSKGJBUTYWNQNU-FYYLOGMGSA-N 1 0 393.531 4.351 20 0 GIADRO COc1ccc(C[NH2+]CCc2ccc(-n3nc(C)cc3C)cc2)c(C)c1OC ZINC000575949909 824034973 /nfs/dbraw/zinc/03/49/73/824034973.db2.gz OAGICVIHLIUFMW-UHFFFAOYSA-N 1 0 379.504 4.147 20 0 GIADRO CC(C)N(Cc1ccccc1)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000171007747 824035314 /nfs/dbraw/zinc/03/53/14/824035314.db2.gz QUZRNWLSORJBSO-UHFFFAOYSA-N 1 0 379.548 4.314 20 0 GIADRO C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+][C@H]1CCCN(CC(F)(F)F)C1=O ZINC000575950936 824035265 /nfs/dbraw/zinc/03/52/65/824035265.db2.gz XKTLBEGRBFVNTR-JQVXPOPVSA-N 1 0 394.359 4.252 20 0 GIADRO C[C@H]1[C@@H]([NH3+])CCN1Cc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000414779048 824035512 /nfs/dbraw/zinc/03/55/12/824035512.db2.gz ZJOKHAXYWWSJOI-SGTLLEGYSA-N 1 0 378.303 4.167 20 0 GIADRO CC(C)C[C@@](C)(C[NH3+])NC(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000414781141 824035517 /nfs/dbraw/zinc/03/55/17/824035517.db2.gz VJONBJCUYMIHLO-NRFANRHFSA-N 1 0 383.496 4.216 20 0 GIADRO CC(C)CC(=O)Nc1ccc(NC(=O)N[C@H](CCC[NH3+])c2ccccc2)cc1 ZINC000414787863 824036481 /nfs/dbraw/zinc/03/64/81/824036481.db2.gz LWBZEYYQBANQCE-HXUWFJFHSA-N 1 0 382.508 4.273 20 0 GIADRO CC(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@H]1Cn1cc(C2CC2)nn1 ZINC000575956241 824037326 /nfs/dbraw/zinc/03/73/26/824037326.db2.gz PPIMMYHBWMOXKC-NRFANRHFSA-N 1 0 390.535 4.129 20 0 GIADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCc1cc2ccccc2o1 ZINC000171014402 824037501 /nfs/dbraw/zinc/03/75/01/824037501.db2.gz BEYYCHRTTCUFJE-HXUWFJFHSA-N 1 0 392.503 4.024 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cc(C)nc2onc(C(C)C)c21 ZINC000171013682 824037527 /nfs/dbraw/zinc/03/75/27/824037527.db2.gz FLJCRFUBMLGASV-UHFFFAOYSA-N 1 0 394.519 4.379 20 0 GIADRO CCCC[C@@H](CN)[NH2+][C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414805169 824037719 /nfs/dbraw/zinc/03/77/19/824037719.db2.gz AEXVPDDYKJRYOR-AAEUAGOBSA-N 1 0 379.854 4.183 20 0 GIADRO C[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000414809791 824038265 /nfs/dbraw/zinc/03/82/65/824038265.db2.gz GZSJWAIXTOQPHB-FQEVSTJZSA-N 1 0 399.922 4.046 20 0 GIADRO C[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)C2CCCC2)c1 ZINC000414818430 824039064 /nfs/dbraw/zinc/03/90/64/824039064.db2.gz VRUVIWYGZAYOAH-HXUWFJFHSA-N 1 0 399.922 4.046 20 0 GIADRO O=C(Nc1ccccc1N1CCc2ccccc21)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414821059 824039462 /nfs/dbraw/zinc/03/94/62/824039462.db2.gz BPKVRXWNSPJENM-WOJBJXKFSA-N 1 0 390.531 4.234 20 0 GIADRO COc1ccc(CNC[C@@H]([NH3+])c2ccc(C(C)C)cc2)c(Br)c1O ZINC000414822727 824039484 /nfs/dbraw/zinc/03/94/84/824039484.db2.gz FORQVLXQPQIVMB-MRXNPFEDSA-N 1 0 393.325 4.076 20 0 GIADRO COc1ccc([C@H]([NH2+][C@H](C)C(=O)N[C@@H](C)c2ccccc2OC)C2CC2)cc1 ZINC000192590512 824039653 /nfs/dbraw/zinc/03/96/53/824039653.db2.gz HGCHEZGHHAFVGB-WJONJSRFSA-N 1 0 382.504 4.010 20 0 GIADRO Cc1ccccc1C1(C(=O)N[C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)CC1 ZINC000171020525 824039863 /nfs/dbraw/zinc/03/98/63/824039863.db2.gz UVZBOWGPQIJLEW-NRFANRHFSA-N 1 0 390.527 4.131 20 0 GIADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)Nc2cc(C(C)(C)C)nn2-c2cccc(Cl)c2)C1 ZINC000414827308 824040078 /nfs/dbraw/zinc/04/00/78/824040078.db2.gz BBQRZUXOONKVIV-KBPBESRZSA-N 1 0 389.931 4.024 20 0 GIADRO C[C@@H](NCc1csc(-c2cccc(Br)c2)n1)[C@@H]1CCC[NH2+]C1 ZINC000414852631 824042068 /nfs/dbraw/zinc/04/20/68/824042068.db2.gz KDNYFAACROHDPV-TZMCWYRMSA-N 1 0 380.355 4.050 20 0 GIADRO CCCCN(C(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1)[C@H](CC)c1ccccc1 ZINC000414851616 824042087 /nfs/dbraw/zinc/04/20/87/824042087.db2.gz OMAOLADPSYLWSH-LAUBAEHRSA-N 1 0 381.520 4.425 20 0 GIADRO CCOc1cc(CNc2ccccc2C[NH2+]C)cc(Br)c1OC ZINC000414857281 824043068 /nfs/dbraw/zinc/04/30/68/824043068.db2.gz CKYUQLPLXALAON-UHFFFAOYSA-N 1 0 379.298 4.188 20 0 GIADRO Cc1cc(Br)cc(C)c1NC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000414873992 824043870 /nfs/dbraw/zinc/04/38/70/824043870.db2.gz AIFLYQSOVBNODV-UHFFFAOYSA-N 1 0 380.330 4.063 20 0 GIADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NCc2cnc(-c3ccsc3)s2)cc1 ZINC000414877987 824044183 /nfs/dbraw/zinc/04/41/83/824044183.db2.gz GRMGNJBQJIJRBE-OALUTQOASA-N 1 0 385.558 4.116 20 0 GIADRO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NCc2csc(-c3ccccc3)n2)cc1 ZINC000414881648 824044676 /nfs/dbraw/zinc/04/46/76/824044676.db2.gz LEHUKOOHNYWFKL-LEWJYISDSA-N 1 0 379.529 4.054 20 0 GIADRO C[C@H](CC(=O)N1CCc2ccccc2[C@H]1Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000575986249 824044772 /nfs/dbraw/zinc/04/47/72/824044772.db2.gz YHUZDJWNQAGYRL-WNOPAQSVSA-N 1 0 376.544 4.381 20 0 GIADRO CSc1ccc(CCCC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000575990740 824045190 /nfs/dbraw/zinc/04/51/90/824045190.db2.gz YVQPHMJDAPWYEP-UHFFFAOYSA-N 1 0 383.561 4.159 20 0 GIADRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000414886710 824045468 /nfs/dbraw/zinc/04/54/68/824045468.db2.gz HQTQRIJOHSBTJR-QGZVFWFLSA-N 1 0 395.507 4.232 20 0 GIADRO CC(C)C[C@@H](NC(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1)c1ccc(Cl)cc1 ZINC000414888355 824045925 /nfs/dbraw/zinc/04/59/25/824045925.db2.gz RKGPVBMXECIJTQ-AUUYWEPGSA-N 1 0 387.911 4.202 20 0 GIADRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000414894676 824047129 /nfs/dbraw/zinc/04/71/29/824047129.db2.gz UHWQLEYREQBJGL-WBVHZDCISA-N 1 0 381.480 4.030 20 0 GIADRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000414895774 824047170 /nfs/dbraw/zinc/04/71/70/824047170.db2.gz ZLGGJVHZQBYKLN-OXQOHEQNSA-N 1 0 395.507 4.230 20 0 GIADRO Cc1ccc(Br)cc1NC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000414913343 824048964 /nfs/dbraw/zinc/04/89/64/824048964.db2.gz WJJNGQTXTUVPMQ-MRXNPFEDSA-N 1 0 376.298 4.359 20 0 GIADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)Nc1ccc(Oc2cccc(F)c2)c2ccncc12 ZINC000576010539 824049382 /nfs/dbraw/zinc/04/93/82/824049382.db2.gz VCPVZHYQYZBFHT-AUUYWEPGSA-N 1 0 394.450 4.286 20 0 GIADRO CC(C)c1nccn1Cc1cccc(NC(=O)NCC2([NH3+])CCCCCC2)c1 ZINC000414915173 824049553 /nfs/dbraw/zinc/04/95/53/824049553.db2.gz YUZYILMJMQWFMR-UHFFFAOYSA-N 1 0 383.540 4.228 20 0 GIADRO Cc1ccc(C[C@@H]2CCC[N@H+](CC(=O)N3CCC[C@@H](C(F)(F)F)C3)C2)cc1 ZINC000576018784 824050429 /nfs/dbraw/zinc/05/04/29/824050429.db2.gz WLFXCFVPHDSDQZ-RBUKOAKNSA-N 1 0 382.470 4.050 20 0 GIADRO Fc1ccc([C@H]2CC[NH2+]C[C@@H]2NCc2csc(-c3ccsc3)n2)cc1F ZINC000414928397 824051427 /nfs/dbraw/zinc/05/14/27/824051427.db2.gz BAUSVFUIOPJLAQ-QAPCUYQASA-N 1 0 391.512 4.385 20 0 GIADRO C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)C2CC[NH+](C3CC3)CC2)cc1 ZINC000192635683 824052203 /nfs/dbraw/zinc/05/22/03/824052203.db2.gz OHKBCBOEHKHTIX-HNNXBMFYSA-N 1 0 387.524 4.085 20 0 GIADRO C[C@@H]([NH3+])c1ccc(CNC(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)cc1 ZINC000414944465 824052765 /nfs/dbraw/zinc/05/27/65/824052765.db2.gz PVCLHYRNYGAMII-QGZVFWFLSA-N 1 0 394.519 4.044 20 0 GIADRO COc1cccc(-c2nn(C(C)(C)C)cc2CN2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c1 ZINC000576028522 824053216 /nfs/dbraw/zinc/05/32/16/824053216.db2.gz JEMFVYTVIXLXIV-PGRDOPGGSA-N 1 0 396.579 4.372 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)c2cnn(Cc3ccccc3)c2C)c1 ZINC000192649539 824055627 /nfs/dbraw/zinc/05/56/27/824055627.db2.gz MKZIASCFGBHBAW-UHFFFAOYSA-N 1 0 376.504 4.334 20 0 GIADRO [NH3+][C@H]1CCC[C@H](CNC(=O)Nc2ccc(Br)cc2C(F)(F)F)C1 ZINC000414972306 824056064 /nfs/dbraw/zinc/05/60/64/824056064.db2.gz JUJCROVDMAQQPH-ONGXEEELSA-N 1 0 394.235 4.107 20 0 GIADRO COc1ccc([C@@H](O)[C@@H]2CCC[N@@H+]2Cc2nnc(-c3ccccc3Cl)o2)cc1 ZINC000359978592 212129386 /nfs/dbraw/zinc/12/93/86/212129386.db2.gz OKXZBWPTVSDXCS-AZUAARDMSA-N 1 0 399.878 4.097 20 0 GIADRO CC1CCC(OC2CCN(C(=O)NC3CC[NH+](C(C)(C)C)CC3)CC2)CC1 ZINC000359908549 212123752 /nfs/dbraw/zinc/12/37/52/212123752.db2.gz OLMXVSFQZFBWDV-UHFFFAOYSA-N 1 0 379.589 4.019 20 0 GIADRO O=C(Cc1cccc(C(F)(F)F)c1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000007686673 221006200 /nfs/dbraw/zinc/00/62/00/221006200.db2.gz QIGQZRJBXTWLDB-LJQANCHMSA-N 1 0 376.422 4.201 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)Cc1coc(-c2ccccc2)n1 ZINC000026942995 221649178 /nfs/dbraw/zinc/64/91/78/221649178.db2.gz HCWYILBOIKLHPQ-UHFFFAOYSA-N 1 0 377.488 4.042 20 0 GIADRO CCC(=O)Nc1cccc(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)c1 ZINC000053359833 222010060 /nfs/dbraw/zinc/01/00/60/222010060.db2.gz MPQVMHKSPKUIGR-SFHVURJKSA-N 1 0 393.531 4.340 20 0 GIADRO F[C@@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CCC2(CCCC[NH2+]2)CC1 ZINC001164388636 718803677 /nfs/dbraw/zinc/80/36/77/718803677.db2.gz ZANWIZFHPSKMFU-LJQANCHMSA-N 1 0 390.890 4.037 20 0 GIADRO Cc1ccc(C(F)(F)N2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)nc1Cl ZINC001164387578 718814585 /nfs/dbraw/zinc/81/45/85/718814585.db2.gz IKZXWVCEVZLNEH-ZDUSSCGKSA-N 1 0 383.792 4.099 20 0 GIADRO Cc1cc(Cl)nc(C(F)(F)N2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)c1 ZINC001164387532 718814736 /nfs/dbraw/zinc/81/47/36/718814736.db2.gz HPTZQEASMJAAAT-CYBMUJFWSA-N 1 0 383.792 4.099 20 0 GIADRO Cc1ccc(Cl)nc1C(F)(F)N1CCC2(CC[NH2+]CC2)[C@H]1C(F)(F)F ZINC001164389411 718815040 /nfs/dbraw/zinc/81/50/40/718815040.db2.gz WCGGQWDQVGVUGK-ZDUSSCGKSA-N 1 0 383.792 4.099 20 0 GIADRO FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1CCCCC12CC[NH2+]CC2 ZINC001164422314 718912314 /nfs/dbraw/zinc/91/23/14/718912314.db2.gz ZZMWXOJLLLOIKD-UHFFFAOYSA-N 1 0 392.881 4.454 20 0 GIADRO CSc1ccc(C(F)(F)N2C[C@@H]3[NH2+]Cc4ccccc4[C@H]3C2)nc1Cl ZINC001164425894 718943611 /nfs/dbraw/zinc/94/36/11/718943611.db2.gz XYFLIWWHEQHVMM-KGLIPLIRSA-N 1 0 381.879 4.077 20 0 GIADRO Cc1cc(Cl)ncc1C(F)(F)N1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164620724 719045811 /nfs/dbraw/zinc/04/58/11/719045811.db2.gz GUCCFJZGBINVDI-IEBWSBKVSA-N 1 0 377.866 4.172 20 0 GIADRO Clc1nnc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c2ccccc12 ZINC001164622719 719060806 /nfs/dbraw/zinc/06/08/06/719060806.db2.gz IQFLDJZTVGLLKS-XLIONFOSSA-N 1 0 378.907 4.384 20 0 GIADRO Clc1cc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c2cccnc2n1 ZINC001164628881 719075286 /nfs/dbraw/zinc/07/52/86/719075286.db2.gz UGOFDUKBSKIWFC-FXAWDEMLSA-N 1 0 378.907 4.384 20 0 GIADRO c1csc(-c2ccc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)nn2)c1 ZINC001164621676 719085513 /nfs/dbraw/zinc/08/55/13/719085513.db2.gz HKAFZQQORJYWIU-UYAOXDASSA-N 1 0 376.529 4.306 20 0 GIADRO CC(C)n1ccc2c1ncnc2N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164624998 719093416 /nfs/dbraw/zinc/09/34/16/719093416.db2.gz FXFGIWDPBGQXRF-PZJWPPBQSA-N 1 0 375.520 4.113 20 0 GIADRO c1ccc(Cc2nccc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)n2)cc1 ZINC001164629860 719103351 /nfs/dbraw/zinc/10/33/51/719103351.db2.gz TYZHIULCJHTMAO-PKTZIBPZSA-N 1 0 384.527 4.168 20 0 GIADRO Fc1cnc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1-c1ccsc1 ZINC001164622771 719111523 /nfs/dbraw/zinc/11/15/23/719111523.db2.gz CKZZHRLEVIKZHR-YLJYHZDGSA-N 1 0 394.519 4.445 20 0 GIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(Cl)ncc2Cl)CC3)cs1 ZINC001164691780 719804053 /nfs/dbraw/zinc/80/40/53/719804053.db2.gz JYKHIOPRIJASNM-UHFFFAOYSA-N 1 0 398.363 4.183 20 0 GIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ncc4cc(C)ccc4n2)CC3)cs1 ZINC001164692556 719809726 /nfs/dbraw/zinc/80/97/26/719809726.db2.gz JDENIWDSGMFZPW-UHFFFAOYSA-N 1 0 393.560 4.338 20 0 GIADRO Cc1ccc2nc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)ccc2c1 ZINC001164701489 719885808 /nfs/dbraw/zinc/88/58/08/719885808.db2.gz NSICOYFSWFPVEA-UHFFFAOYSA-N 1 0 393.556 4.476 20 0 GIADRO c1csc(C[N@@H+]2CCOC3(CCN(c4cc5ccsc5cn4)CC3)C2)c1 ZINC001164698333 719894141 /nfs/dbraw/zinc/89/41/41/719894141.db2.gz ROMNQMDUSXEMEK-UHFFFAOYSA-N 1 0 385.558 4.229 20 0 GIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc3ccc(Cl)c(C)c3n1)C2 ZINC001164814379 720151908 /nfs/dbraw/zinc/15/19/08/720151908.db2.gz FXZWHFYNMBYCAC-WMZHIEFXSA-N 1 0 399.966 4.381 20 0 GIADRO CC(C)c1cc2c(ncnc2N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)s1 ZINC001164722136 720330189 /nfs/dbraw/zinc/33/01/89/720330189.db2.gz FENQXTYLNCCHGO-QZTJIDSGSA-N 1 0 379.533 4.063 20 0 GIADRO Clc1cc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c(-c2ccccc2)nn1 ZINC001164730291 720385036 /nfs/dbraw/zinc/38/50/36/720385036.db2.gz WMMLFOQYUAGXQR-RTBURBONSA-N 1 0 391.906 4.045 20 0 GIADRO Clc1cccc(-c2cc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)ncn2)c1 ZINC001164733928 720450739 /nfs/dbraw/zinc/45/07/39/720450739.db2.gz QTDGJKCRYKUUIC-RTWAWAEBSA-N 1 0 391.906 4.045 20 0 GIADRO Clc1cccc(-c2cc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)ncn2)c1 ZINC001164733925 720450843 /nfs/dbraw/zinc/45/08/43/720450843.db2.gz QTDGJKCRYKUUIC-NHCUHLMSSA-N 1 0 391.906 4.045 20 0 GIADRO Fc1cccc2c(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)cc(Cl)nc12 ZINC001164728243 720476891 /nfs/dbraw/zinc/47/68/91/720476891.db2.gz OOQPZAORGZZQBH-ZWKOTPCHSA-N 1 0 382.870 4.276 20 0 GIADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc3ccccc3cn1)CC2 ZINC001164841763 720673106 /nfs/dbraw/zinc/67/31/06/720673106.db2.gz PWGUOAOLNCTLRL-QHCPKHFHSA-N 1 0 387.527 4.495 20 0 GIADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nccc(C(C)(C)C)n1)CC2 ZINC001164840373 720683924 /nfs/dbraw/zinc/68/39/24/720683924.db2.gz DHLCGQAFCCUOPF-HXUWFJFHSA-N 1 0 394.563 4.034 20 0 GIADRO Cc1cccc(CN2CC[C@@]3(CC[N@@H+](C(C)(C)c4ccnc(Cl)c4)C3)C2=O)c1 ZINC001164851196 720809135 /nfs/dbraw/zinc/80/91/35/720809135.db2.gz KEVSFIKHASEDCJ-QHCPKHFHSA-N 1 0 397.950 4.403 20 0 GIADRO COC(=O)c1cccnc1N1CCC2(CC1)CC[NH+](Cc1ccc(C)cc1)CC2 ZINC001164759087 721042677 /nfs/dbraw/zinc/04/26/77/721042677.db2.gz FVSSYGBCYXCDLY-UHFFFAOYSA-N 1 0 393.531 4.059 20 0 GIADRO COCOc1ccc(N2CCC3(CC2)CC[NH+](Cc2ccc(C)cc2)CC3)nc1 ZINC001164759090 721044861 /nfs/dbraw/zinc/04/48/61/721044861.db2.gz FZEDRHRDEOLGIO-UHFFFAOYSA-N 1 0 395.547 4.255 20 0 GIADRO CSc1cncc(N2CCC3(CC2)CC[NH+](Cc2ccc(C)cc2)CC3)n1 ZINC001164759980 721046716 /nfs/dbraw/zinc/04/67/16/721046716.db2.gz SJCFOYOORYRSSF-UHFFFAOYSA-N 1 0 382.577 4.390 20 0 GIADRO c1ccc([C@@H]2CO[C@]3(C2)CCCN(c2ncccc2C[NH+]2CCCC2)C3)cc1 ZINC001164774270 721061437 /nfs/dbraw/zinc/06/14/37/721061437.db2.gz VTGSCYFHDISRPU-UPVQGACJSA-N 1 0 377.532 4.221 20 0 GIADRO CCc1ccc(Oc2nc(Cl)ncc2N2CC3(C2)CC[N@H+](CC2CC2)C3)cc1 ZINC001164775406 721303220 /nfs/dbraw/zinc/30/32/20/721303220.db2.gz WCYSDXFTWJXDPL-UHFFFAOYSA-N 1 0 398.938 4.407 20 0 GIADRO Cc1cccc2c1ncnc2N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165018586 721806115 /nfs/dbraw/zinc/80/61/15/721806115.db2.gz BJYFBPACRIJWOA-VLCRHTCISA-N 1 0 387.531 4.070 20 0 GIADRO Cc1ccc2ncnc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c2c1 ZINC001165026337 721806254 /nfs/dbraw/zinc/80/62/54/721806254.db2.gz QSILOAVJIDCWLA-QTGUNEKASA-N 1 0 387.531 4.070 20 0 GIADRO Cc1c[nH]c2nc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)ccc12 ZINC001165027200 721807208 /nfs/dbraw/zinc/80/72/08/721807208.db2.gz UFPZHCVXPRSQMV-WMQCIHAUSA-N 1 0 375.520 4.003 20 0 GIADRO Cc1cc2c(ccnc2N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)o1 ZINC001165024041 721826270 /nfs/dbraw/zinc/82/62/70/721826270.db2.gz JJWSVXGUXSSPKJ-YYWHXJBOSA-N 1 0 376.504 4.268 20 0 GIADRO Fc1ccc(Oc2ccc(Cl)nn2)c(N2CC[NH+](C3CCCC3)CC2)c1 ZINC001165032248 721859457 /nfs/dbraw/zinc/85/94/57/721859457.db2.gz NYFNPILTEIJQNT-UHFFFAOYSA-N 1 0 376.863 4.126 20 0 GIADRO C[NH+](C)[C@H]1CCCN(C(F)(F)c2cc(-c3ccccc3F)nnc2Cl)C1 ZINC001165036616 721899478 /nfs/dbraw/zinc/89/94/78/721899478.db2.gz IFGUIYDNQLLKKA-LBPRGKRZSA-N 1 0 384.833 4.011 20 0 GIADRO C[NH+](C)CC1CCN(C(F)(F)c2cccc3c(Cl)nc(Cl)nc32)CC1 ZINC001165042709 721946134 /nfs/dbraw/zinc/94/61/34/721946134.db2.gz WDDHCDASNVFNME-UHFFFAOYSA-N 1 0 389.277 4.260 20 0 GIADRO CCOC(=O)c1c(C)nc(Cl)cc1N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001165046465 721968352 /nfs/dbraw/zinc/96/83/52/721968352.db2.gz FRDAYWCZSOVZKX-MRXNPFEDSA-N 1 0 379.932 4.065 20 0 GIADRO FC(F)(c1ccc2ncnc(Cl)c2n1)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001165049123 721972630 /nfs/dbraw/zinc/97/26/30/721972630.db2.gz NMPDIUIXSMCECF-AWEZNQCLSA-N 1 0 395.885 4.068 20 0 GIADRO Cc1ccc(-c2nc3c(ncnc3N3CCCC[C@@H]3CC[NH+]3CCCC3)o2)cc1 ZINC001165048802 721975844 /nfs/dbraw/zinc/97/58/44/721975844.db2.gz LGAVXNUOALOZEH-LJQANCHMSA-N 1 0 391.519 4.438 20 0 GIADRO C[NH+](C)Cc1ccnc(N2CCC(Oc3ccc(OC(F)(F)F)cc3)CC2)c1 ZINC001165048013 721979875 /nfs/dbraw/zinc/97/98/75/721979875.db2.gz CJGBSNNCXDBJBP-UHFFFAOYSA-N 1 0 395.425 4.090 20 0 GIADRO CC[NH+](CC)C1CCN(c2ccc(-c3ccc(C4OCCCO4)cc3)cn2)CC1 ZINC001165053120 722004527 /nfs/dbraw/zinc/00/45/27/722004527.db2.gz JOCQPPVIDUBJDO-UHFFFAOYSA-N 1 0 395.547 4.495 20 0 GIADRO CC[NH+](CC)C1CCN(c2cnc(Cl)nc2Oc2cccc(OC)c2)CC1 ZINC001165054429 722007355 /nfs/dbraw/zinc/00/73/55/722007355.db2.gz MKBGSQXZZOWHPM-UHFFFAOYSA-N 1 0 390.915 4.242 20 0 GIADRO CC[NH+](CC)C1CCN(c2cnc(Cl)nc2Oc2ccccc2OC)CC1 ZINC001165054064 722007707 /nfs/dbraw/zinc/00/77/07/722007707.db2.gz HTOOEVNUCWLAFA-UHFFFAOYSA-N 1 0 390.915 4.242 20 0 GIADRO c1ccc(CC[NH+]2CCN(c3ccc(-c4cccc5ccccc54)nn3)CC2)nc1 ZINC001165055726 722018840 /nfs/dbraw/zinc/01/88/40/722018840.db2.gz UCWPXHXTVWIKHL-UHFFFAOYSA-N 1 0 395.510 4.057 20 0 GIADRO CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2C[N@H+](C(C)(C)c3ccnc(Cl)c3)C[C@@H]21 ZINC001164981574 722098315 /nfs/dbraw/zinc/09/83/15/722098315.db2.gz LTHKJQDVUPGMLS-CMKODMSKSA-N 1 0 398.938 4.012 20 0 GIADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2nc(Cl)nc4c2CCC4)C3)c1 ZINC001164993277 722193813 /nfs/dbraw/zinc/19/38/13/722193813.db2.gz DZWWZWBSCAETIV-NRFANRHFSA-N 1 0 386.902 4.003 20 0 GIADRO COc1cc(Cl)ncc1N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164995469 722197214 /nfs/dbraw/zinc/19/72/14/722197214.db2.gz VALOBHWSFQZIAT-FQEVSTJZSA-N 1 0 375.875 4.128 20 0 GIADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2ncnc4cc(Cl)cnc42)C3)c1 ZINC001164997222 722202678 /nfs/dbraw/zinc/20/26/78/722202678.db2.gz XEZLGYRSQCTXBS-OAQYLSRUSA-N 1 0 397.885 4.062 20 0 GIADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2ncnc4cc(Cl)cnc42)C3)c1 ZINC001164997220 722202713 /nfs/dbraw/zinc/20/27/13/722202713.db2.gz XEZLGYRSQCTXBS-NRFANRHFSA-N 1 0 397.885 4.062 20 0 GIADRO COC(OC)c1cc(C)cnc1N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164994416 722206033 /nfs/dbraw/zinc/20/60/33/722206033.db2.gz GJHFJAQXGCPELS-QHCPKHFHSA-N 1 0 399.510 4.065 20 0 GIADRO c1ccc(C[C@H]2[C@H](OCC3CC3)CCN2c2ncccc2C[NH+]2CCCC2)cc1 ZINC001165005196 722271973 /nfs/dbraw/zinc/27/19/73/722271973.db2.gz FRINJMUISGWBQL-BJKOFHAPSA-N 1 0 391.559 4.294 20 0 GIADRO Cc1c(NC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cccc1-c1ncco1 ZINC000570489107 823045381 /nfs/dbraw/zinc/04/53/81/823045381.db2.gz FIUYWOFLHSILGB-UHFFFAOYSA-N 1 0 390.487 4.390 20 0 GIADRO CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000175810864 823045661 /nfs/dbraw/zinc/04/56/61/823045661.db2.gz PVVHJNXHPLXMSC-CQSZACIVSA-N 1 0 381.948 4.031 20 0 GIADRO COc1ccc(-c2csc(CNC(=O)NC(C)(C)CCC[NH+](C)C)c2)cc1 ZINC000458485032 823046332 /nfs/dbraw/zinc/04/63/32/823046332.db2.gz IIYDUXVACBFBCY-UHFFFAOYSA-N 1 0 389.565 4.343 20 0 GIADRO COc1ccccc1CSc1ccccc1NC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000570498508 823046661 /nfs/dbraw/zinc/04/66/61/823046661.db2.gz KCZKMKVPBIYSLW-DOTOQJQBSA-N 1 0 385.533 4.107 20 0 GIADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CC[C@H](c2c(F)cccc2F)C1 ZINC000187345431 823046772 /nfs/dbraw/zinc/04/67/72/823046772.db2.gz OBUPOSDVIRQCFZ-INIZCTEOSA-N 1 0 391.506 4.261 20 0 GIADRO O=C(c1ccc2c[nH+]cn2c1)N1CCCc2cc(Br)cc(Cl)c21 ZINC000570502478 823047136 /nfs/dbraw/zinc/04/71/36/823047136.db2.gz CUOWRTUZGTTYJC-UHFFFAOYSA-N 1 0 390.668 4.343 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)NC[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000458494387 823047260 /nfs/dbraw/zinc/04/72/60/823047260.db2.gz GIHCLOXJTVDQIM-HOTGVXAUSA-N 1 0 391.503 4.190 20 0 GIADRO C[C@H](CCCc1cccnc1)NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000458501726 823048218 /nfs/dbraw/zinc/04/82/18/823048218.db2.gz LBXKJSKZYVRZNY-MZKRTTBSSA-N 1 0 394.563 4.003 20 0 GIADRO OC[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1cccc(Cl)c1F ZINC000570514910 823048649 /nfs/dbraw/zinc/04/86/49/823048649.db2.gz XTWWEIIPHVXUKF-XLIONFOSSA-N 1 0 388.914 4.299 20 0 GIADRO Cc1cc([C@H](C)NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)ccc1F ZINC000458509170 823048934 /nfs/dbraw/zinc/04/89/34/823048934.db2.gz LDOUCYRHDDFVGR-AWEZNQCLSA-N 1 0 389.437 4.253 20 0 GIADRO Cc1csc([C@@H](NC(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)C2CC2)n1 ZINC000175829334 823049775 /nfs/dbraw/zinc/04/97/75/823049775.db2.gz GQHJMKTYBRIHLQ-PXNSSMCTSA-N 1 0 398.576 4.209 20 0 GIADRO COC[C@@H](C[NH2+]C1CCC2(CC1)C(=O)Nc1ccccc12)c1ccc(Cl)cc1 ZINC000570524821 823049976 /nfs/dbraw/zinc/04/99/76/823049976.db2.gz RNWRQMLOYOLNNR-IMHYJWESSA-N 1 0 398.934 4.492 20 0 GIADRO O=C(CC[N@H+]1CCC[C@@H]1C[C@H](O)c1cccs1)Nc1ccc(Cl)cc1F ZINC000175830131 823049988 /nfs/dbraw/zinc/04/99/88/823049988.db2.gz IIMCDHAICYWZBY-PBHICJAKSA-N 1 0 396.915 4.457 20 0 GIADRO COc1cccc2c1[C@H](C(=O)NC1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)CC2 ZINC000570532790 823050803 /nfs/dbraw/zinc/05/08/03/823050803.db2.gz CGXZOZVPTRRSDB-LQCXBHPOSA-N 1 0 390.527 4.037 20 0 GIADRO O=C1Nc2cc(Cl)ccc2[C@@H]1C1CC[NH+](Cc2ccc3c(n2)CCC3)CC1 ZINC000570536469 823051180 /nfs/dbraw/zinc/05/11/80/823051180.db2.gz RSQORBWOSCWOSJ-NRFANRHFSA-N 1 0 381.907 4.172 20 0 GIADRO CC(C)[C@H]([NH2+][C@H](C)C1CCS(=O)(=O)CC1)c1ccc(C(F)(F)F)cc1 ZINC000187386877 823054134 /nfs/dbraw/zinc/05/41/34/823054134.db2.gz YDLLZOLEHQNBGJ-DYVFJYSZSA-N 1 0 377.472 4.205 20 0 GIADRO Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)NC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000175837645 823051715 /nfs/dbraw/zinc/05/17/15/823051715.db2.gz FJKXDCGFQZVSMJ-OFNKIYASSA-N 1 0 399.579 4.169 20 0 GIADRO Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)NC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000175837610 823051780 /nfs/dbraw/zinc/05/17/80/823051780.db2.gz FJKXDCGFQZVSMJ-REWPJTCUSA-N 1 0 399.579 4.169 20 0 GIADRO O=C(C[N@H+]1CCC[C@H]1C[C@H](O)c1cccs1)Nc1cccc2ccccc21 ZINC000175837931 823051909 /nfs/dbraw/zinc/05/19/09/823051909.db2.gz VBEAUTNHSJPNHV-PXNSSMCTSA-N 1 0 380.513 4.428 20 0 GIADRO COc1cc([C@@H](C)[NH2+]C2CCN(Cc3ccccn3)CC2)ccc1OC(C)C ZINC000570545361 823052129 /nfs/dbraw/zinc/05/21/29/823052129.db2.gz QIIILNYWCPCXAT-GOSISDBHSA-N 1 0 383.536 4.193 20 0 GIADRO CCCC[N@H+](CC)Cc1cccc(CNC(=O)N[C@@H]2C[C@@H](C)n3ccnc32)c1 ZINC000458536505 823052285 /nfs/dbraw/zinc/05/22/85/823052285.db2.gz GMOMWOAUAJHZLI-YLJYHZDGSA-N 1 0 383.540 4.010 20 0 GIADRO O=C(c1ccccc1C(F)(F)F)N1CCC([NH2+]Cc2cc(F)cc(F)c2)CC1 ZINC000187379991 823052729 /nfs/dbraw/zinc/05/27/29/823052729.db2.gz UPWCGSAWVVYVBF-UHFFFAOYSA-N 1 0 398.375 4.378 20 0 GIADRO CCCC[NH+]1CCC(NC(=O)Nc2cccc(OCc3cscn3)c2)CC1 ZINC000175847251 823054320 /nfs/dbraw/zinc/05/43/20/823054320.db2.gz BJBRUCGIMVODAC-UHFFFAOYSA-N 1 0 388.537 4.108 20 0 GIADRO C[C@H](C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccc(Br)cc1 ZINC000120728611 823053654 /nfs/dbraw/zinc/05/36/54/823053654.db2.gz RKMCIMDYJXIPIY-GMBSWORKSA-N 1 0 391.353 4.028 20 0 GIADRO COc1cc([C@@H](C)[NH2+]CCc2cc(F)cc3c2OCOC3)ccc1SC ZINC000120736510 823054693 /nfs/dbraw/zinc/05/46/93/823054693.db2.gz VVJUARQYMRHKLU-CYBMUJFWSA-N 1 0 377.481 4.316 20 0 GIADRO CCc1nocc1CN(C)C(=O)NC[C@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000458555929 823055315 /nfs/dbraw/zinc/05/53/15/823055315.db2.gz MHMKRILVIBIZRG-PXNSSMCTSA-N 1 0 386.540 4.144 20 0 GIADRO CCCCCN(C)c1ccc(F)cc1C[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000570576978 823056543 /nfs/dbraw/zinc/05/65/43/823056543.db2.gz RBLAIGKVXSNDCC-OAQYLSRUSA-N 1 0 378.532 4.222 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)NCc1cccc(-c2ccccn2)c1 ZINC000458566039 823057086 /nfs/dbraw/zinc/05/70/86/823057086.db2.gz GCZMHANMOYRANT-UHFFFAOYSA-N 1 0 394.544 4.084 20 0 GIADRO CCc1cccc(C)c1NC(=O)CNc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000055870337 823057556 /nfs/dbraw/zinc/05/75/56/823057556.db2.gz QLWJAUVOTVGPFX-KDURUIRLSA-N 1 0 395.547 4.217 20 0 GIADRO Cc1cc(C)c(NC(=O)CNc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)c(C)c1 ZINC000055870231 823057687 /nfs/dbraw/zinc/05/76/87/823057687.db2.gz OOBRUOVVTQFSTL-WOJBJXKFSA-N 1 0 395.547 4.272 20 0 GIADRO COc1cccc2c1CCC[C@H]2[NH2+]Cc1cc(Cl)ccc1N1CCOCC1 ZINC000570586695 823057890 /nfs/dbraw/zinc/05/78/90/823057890.db2.gz ZHOJGGZQBSXALZ-HXUWFJFHSA-N 1 0 386.923 4.352 20 0 GIADRO O[C@H](C[C@H]1CCCCC[N@@H+]1Cc1ccc(-n2ccnc2)nc1)c1cccs1 ZINC000175862595 823058136 /nfs/dbraw/zinc/05/81/36/823058136.db2.gz DPOZQSBNRZOTOB-RTBURBONSA-N 1 0 382.533 4.197 20 0 GIADRO Cc1cccnc1[C@@H]([NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)C(C)C ZINC000120762400 823059163 /nfs/dbraw/zinc/05/91/63/823059163.db2.gz KSQLGDOWMGHPJK-PBHICJAKSA-N 1 0 383.319 4.423 20 0 GIADRO COc1cc(NC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(Cl)c(OC)c1 ZINC000570617644 823063108 /nfs/dbraw/zinc/06/31/08/823063108.db2.gz BVTRJZSQGSCLKF-ZIAGYGMSSA-N 1 0 395.931 4.132 20 0 GIADRO CC(C)[C@@H]1N(C(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)CC12CCCC2 ZINC000458584324 823059805 /nfs/dbraw/zinc/05/98/05/823059805.db2.gz UNFXJCFXADHSHZ-RXVVDRJESA-N 1 0 384.568 4.217 20 0 GIADRO CN(C)c1ccc(N2CCC([NH2+]Cc3ccc4c(c3)COC(C)(C)O4)CC2)cc1 ZINC000187420164 823060337 /nfs/dbraw/zinc/06/03/37/823060337.db2.gz DMCPPIFTPZZEBI-UHFFFAOYSA-N 1 0 395.547 4.156 20 0 GIADRO CC(C)Oc1ccc2ccccc2c1CNC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000570618148 823063236 /nfs/dbraw/zinc/06/32/36/823063236.db2.gz WJHUDPQETHQOGV-PMACEKPBSA-N 1 0 395.547 4.158 20 0 GIADRO CCCCc1nnc(NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)s1 ZINC000175873631 823061125 /nfs/dbraw/zinc/06/11/25/823061125.db2.gz ZYYFIJVYVGGVRW-UHFFFAOYSA-N 1 0 387.553 4.009 20 0 GIADRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)Nc1ccc(Cl)cc1OCC(F)(F)F ZINC000570608901 823061654 /nfs/dbraw/zinc/06/16/54/823061654.db2.gz NVQFLKIMPNSHIJ-LLVKDONJSA-N 1 0 381.826 4.131 20 0 GIADRO O=C(NC1CCC(F)(F)CC1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000458597196 823061779 /nfs/dbraw/zinc/06/17/79/823061779.db2.gz SQSATJSSUKUOMC-UHFFFAOYSA-N 1 0 391.506 4.262 20 0 GIADRO COCCCN(C(=O)c1cc(C)n(C2CCCCC2)c1C)C1CC[NH+](C)CC1 ZINC000570613511 823062503 /nfs/dbraw/zinc/06/25/03/823062503.db2.gz XBBQGUMGUMHVAO-UHFFFAOYSA-N 1 0 389.584 4.183 20 0 GIADRO Cc1c2ccccc2oc(=O)c1C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000175881979 823062782 /nfs/dbraw/zinc/06/27/82/823062782.db2.gz DUWJYJYZLIKLIR-KRWDZBQOSA-N 1 0 390.483 4.057 20 0 GIADRO 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 ZINC000458622376 823064933 /nfs/dbraw/zinc/06/49/33/823064933.db2.gz BJZDMAFIYTUPEI-FIDHJVLJSA-N 1 0 389.506 4.400 20 0 GIADRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)[C@@H]2C[C@@H]2C2CC2)CC1 ZINC000175892822 823065214 /nfs/dbraw/zinc/06/52/14/823065214.db2.gz SIYMSBFEKHXJAK-RTBURBONSA-N 1 0 380.454 4.174 20 0 GIADRO Cn1nccc1[C@@H]1CCC[C@H]([NH2+]CC2(c3ccc4c(c3)OCCO4)CCCC2)C1 ZINC000570638590 823065595 /nfs/dbraw/zinc/06/55/95/823065595.db2.gz WKZFOYINBZEVRA-QUCCMNQESA-N 1 0 395.547 4.319 20 0 GIADRO O=C(Nc1cccc(NC(=O)C2CCCCC2)c1)NC1CC([NH+]2CCCCC2)C1 ZINC000570657503 823067877 /nfs/dbraw/zinc/06/78/77/823067877.db2.gz IROLWUCMJBHROU-UHFFFAOYSA-N 1 0 398.551 4.344 20 0 GIADRO CCN(CC)C(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccc(C)c2)cc1 ZINC000055910856 823066224 /nfs/dbraw/zinc/06/62/24/823066224.db2.gz OSUGPBGCNFFYEQ-JOCHJYFZSA-N 1 0 393.531 4.253 20 0 GIADRO O[C@H](C[C@H]1CCC[N@@H+]1Cc1cnn(Cc2ccc(F)cc2)c1)c1cccs1 ZINC000187454626 823066825 /nfs/dbraw/zinc/06/68/25/823066825.db2.gz ZVOAUDSSAQFSNR-WOJBJXKFSA-N 1 0 385.508 4.220 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)NCc1cccc(-c2cccnc2)c1 ZINC000458633076 823067531 /nfs/dbraw/zinc/06/75/31/823067531.db2.gz BFSYKLLHBRUWDF-UHFFFAOYSA-N 1 0 394.544 4.084 20 0 GIADRO C[C@H](N[C@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000120808458 823068445 /nfs/dbraw/zinc/06/84/45/823068445.db2.gz BIQJCIHWTQRCJO-FDDCHVKYSA-N 1 0 392.547 4.458 20 0 GIADRO CCC(CC)c1cc(CNC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)on1 ZINC000175905643 823068970 /nfs/dbraw/zinc/06/89/70/823068970.db2.gz YRIMSTQXNPKQPQ-UHFFFAOYSA-N 1 0 398.551 4.384 20 0 GIADRO CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000570665384 823069118 /nfs/dbraw/zinc/06/91/18/823069118.db2.gz WLKOINODFCEESB-KRWDZBQOSA-N 1 0 382.470 4.361 20 0 GIADRO CCC(CC)c1cc(CNC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)on1 ZINC000175907532 823069535 /nfs/dbraw/zinc/06/95/35/823069535.db2.gz WIMGJJVVTJEWCA-ZWKOTPCHSA-N 1 0 390.572 4.374 20 0 GIADRO CC(C)[C@H](CNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)c1cccnc1 ZINC000175908959 823069997 /nfs/dbraw/zinc/06/99/97/823069997.db2.gz CVRPRALPFDLYFS-QHCPKHFHSA-N 1 0 394.563 4.127 20 0 GIADRO CCCC[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(=O)Nc1cc(C)on1 ZINC000175911036 823070488 /nfs/dbraw/zinc/07/04/88/823070488.db2.gz IGFUGXLIHPXADS-QMMLZNLJSA-N 1 0 398.551 4.123 20 0 GIADRO [NH3+][C@H](CCC(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1)c1ccccc1 ZINC000570675025 823070679 /nfs/dbraw/zinc/07/06/79/823070679.db2.gz FRTMIHWZYGLFKM-HUUCEWRRSA-N 1 0 397.466 4.348 20 0 GIADRO CC[C@H]1CCCC[C@H]1[N@H+](C)Cc1nc(-c2cc(OC)c(OC)c(OC)c2)no1 ZINC000120818608 823070674 /nfs/dbraw/zinc/07/06/74/823070674.db2.gz KVGOVKMBJYRWGL-GOEBONIOSA-N 1 0 389.496 4.163 20 0 GIADRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N(C)Cc1ccc(Cl)nc1 ZINC000187476437 823070805 /nfs/dbraw/zinc/07/08/05/823070805.db2.gz VFENQPMKSIRMAT-IBGZPJMESA-N 1 0 388.943 4.033 20 0 GIADRO Cc1cccc(-c2cccc(CNC(=O)[C@H]([NH2+]C3CCOCC3)C(C)C)c2)c1 ZINC000175913937 823071057 /nfs/dbraw/zinc/07/10/57/823071057.db2.gz HAPNDTBXSJONFH-HSZRJFAPSA-N 1 0 380.532 4.071 20 0 GIADRO COCCc1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2cccc(Cl)c2Cl)cc1 ZINC000570692416 823072517 /nfs/dbraw/zinc/07/25/17/823072517.db2.gz FZVUGFGVVIVBSG-GOEBONIOSA-N 1 0 398.330 4.273 20 0 GIADRO C[C@H]1CC[C@H](C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C(F)(F)F)CC1 ZINC000570726579 823076732 /nfs/dbraw/zinc/07/67/32/823076732.db2.gz CLJIKICLXSJVHC-SHTZXODSSA-N 1 0 383.458 4.222 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)Nc2ccc(-c3nc(C(C)C)no3)cc2)CC1 ZINC000175921561 823073029 /nfs/dbraw/zinc/07/30/29/823073029.db2.gz VUNNVHGUHRVVLE-UHFFFAOYSA-N 1 0 385.512 4.104 20 0 GIADRO C[NH+](C)CCc1ccc(CNC(=O)N2CCC[C@H]2c2ccc(F)cc2F)cc1 ZINC000458677128 823073047 /nfs/dbraw/zinc/07/30/47/823073047.db2.gz CLPMLIWMRAPLTP-NRFANRHFSA-N 1 0 387.474 4.116 20 0 GIADRO C[C@H](NC(=O)N1Cc2ccc(Cl)cc2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000458682099 823073607 /nfs/dbraw/zinc/07/36/07/823073607.db2.gz OGEIZDCSBGZLSQ-WMZOPIPTSA-N 1 0 383.923 4.276 20 0 GIADRO CCO[C@@H]1C[C@]([NH3+])(C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)C1(C)C ZINC000187497512 823075465 /nfs/dbraw/zinc/07/54/65/823075465.db2.gz HJBQPDOOEONPDS-XLIONFOSSA-N 1 0 380.916 4.132 20 0 GIADRO COc1ccc(OCc2ccccn2)c(CNC[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000120860713 823078535 /nfs/dbraw/zinc/07/85/35/823078535.db2.gz ZQWCULKJTZZPLX-HXUWFJFHSA-N 1 0 397.563 4.127 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2coc(-c3ccccc3)n2)CC1 ZINC000120859483 823078565 /nfs/dbraw/zinc/07/85/65/823078565.db2.gz VLGFPUFGBLUMNH-KRWDZBQOSA-N 1 0 375.472 4.297 20 0 GIADRO CCC1(NC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CCCCC1 ZINC000458747958 823081015 /nfs/dbraw/zinc/08/10/15/823081015.db2.gz RIGLUIPAUXBPGE-UHFFFAOYSA-N 1 0 375.479 4.204 20 0 GIADRO COc1ccccc1OCCC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000056042007 823081160 /nfs/dbraw/zinc/08/11/60/823081160.db2.gz WXBLYOZIZGWEJW-UHFFFAOYSA-N 1 0 382.504 4.131 20 0 GIADRO CO[C@H](C)c1cccc(NC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000175956467 823081982 /nfs/dbraw/zinc/08/19/82/823081982.db2.gz ZHHIMVAJQWOHSU-QUCCMNQESA-N 1 0 381.520 4.380 20 0 GIADRO OC[C@H](C[NH2+]C1CC(c2cc(F)cc(F)c2)C1)Cc1cc(F)c(F)c(F)c1 ZINC000570760150 823082728 /nfs/dbraw/zinc/08/27/28/823082728.db2.gz BYHPSDAIXWBXBH-MKQDKFQKSA-N 1 0 385.376 4.069 20 0 GIADRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)c2occc2Br)CC1 ZINC000175961474 823083087 /nfs/dbraw/zinc/08/30/87/823083087.db2.gz CLGJTLOBRJEZAO-UHFFFAOYSA-N 1 0 391.309 4.026 20 0 GIADRO CC[C@H](C)Oc1cc(C[NH+]2CCC(c3nnc4ccccn43)CC2)ccc1OC ZINC000120895311 823083401 /nfs/dbraw/zinc/08/34/01/823083401.db2.gz PDSIZWZQRMSHOE-KRWDZBQOSA-N 1 0 394.519 4.295 20 0 GIADRO Cc1cc2cc(CNC(=O)N(C)C3CC[NH+](CCC(F)(F)F)CC3)ccc2[nH]1 ZINC000458771303 823083735 /nfs/dbraw/zinc/08/37/35/823083735.db2.gz KQSOKZJNOUFUEI-UHFFFAOYSA-N 1 0 396.457 4.035 20 0 GIADRO C[C@H](NC(=O)NC(C)(C)CCC[NH+](C)C)c1ccc(Oc2cccnc2)cc1 ZINC000458775939 823084200 /nfs/dbraw/zinc/08/42/00/823084200.db2.gz NKMDLVMBXCHPAD-KRWDZBQOSA-N 1 0 384.524 4.355 20 0 GIADRO CCCCOc1ccc(C[NH+]2CCC(c3nnc4ccccn43)CC2)cc1OC ZINC000120920148 823086938 /nfs/dbraw/zinc/08/69/38/823086938.db2.gz SSJJZUHKUKSDAV-UHFFFAOYSA-N 1 0 394.519 4.296 20 0 GIADRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)Nc1ccccc1O[C@H]1CCOC1 ZINC000187539325 823085174 /nfs/dbraw/zinc/08/51/74/823085174.db2.gz VAWNZZABSBWSAU-SFHVURJKSA-N 1 0 389.540 4.021 20 0 GIADRO COc1ccc(C[NH+]2CCC(c3c[nH]nc3C)CC2)c(OCc2cccnc2)c1 ZINC000570787299 823087416 /nfs/dbraw/zinc/08/74/16/823087416.db2.gz AJEGDIGFVSLFCC-UHFFFAOYSA-N 1 0 392.503 4.080 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc(OCc2cccnc2)cc1)C(=O)NC1CCC(C)CC1 ZINC000056144286 823087432 /nfs/dbraw/zinc/08/74/32/823087432.db2.gz XMJFQDBRFCFZEC-IDPGXWOASA-N 1 0 395.547 4.395 20 0 GIADRO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)c(C)c1 ZINC000056159747 823092218 /nfs/dbraw/zinc/09/22/18/823092218.db2.gz LBYXPADQMBOYQK-DLBZAZTESA-N 1 0 394.519 4.265 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1)c1ccc(OCc2cccnc2)cc1 ZINC000056144393 823087881 /nfs/dbraw/zinc/08/78/81/823087881.db2.gz BHKRKEUJKRSLRF-MSOLQXFVSA-N 1 0 375.472 4.338 20 0 GIADRO COc1cccc([C@@H](CNC(=O)c2[nH]c3ccccc3c2Cl)[NH+]2CCCC2)c1 ZINC000056144428 823087914 /nfs/dbraw/zinc/08/79/14/823087914.db2.gz BLGCHQZRJMNINC-LJQANCHMSA-N 1 0 397.906 4.397 20 0 GIADRO CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000056153024 823089772 /nfs/dbraw/zinc/08/97/72/823089772.db2.gz MDSADAHCEXRFHK-SJORKVTESA-N 1 0 381.520 4.283 20 0 GIADRO CCCCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000056153061 823089843 /nfs/dbraw/zinc/08/98/43/823089843.db2.gz PSBAXJDSPUBIGV-ZWKOTPCHSA-N 1 0 381.520 4.284 20 0 GIADRO C[C@@H](NC(=O)Cc1nc(-c2ccc(F)cc2)cs1)[C@@H](c1ccccc1)[NH+](C)C ZINC000187570441 823090261 /nfs/dbraw/zinc/09/02/61/823090261.db2.gz BVDXSPFAQKWEJN-QRQCRPRQSA-N 1 0 397.519 4.299 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCC[C@H](N2CCCC2=O)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000570828007 823092478 /nfs/dbraw/zinc/09/24/78/823092478.db2.gz SEOWRNDHPKJAEN-UAGQMJEPSA-N 1 0 384.442 4.212 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CN[C@H](C(=O)NC2CC2)c2ccccc2)cc1 ZINC000056154637 823090929 /nfs/dbraw/zinc/09/09/29/823090929.db2.gz JQSMXWCXKPVEFV-CYFREDJKSA-N 1 0 391.559 4.171 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+]Cc2ccc(Br)cc2OC)s1 ZINC000187574769 823090935 /nfs/dbraw/zinc/09/09/35/823090935.db2.gz AYCZMTFKJSWOHB-NSHDSACASA-N 1 0 399.354 4.262 20 0 GIADRO Brc1ccc(Br)c(C[NH2+]Cc2ccc3c[nH]nc3c2)c1 ZINC000187575855 823091201 /nfs/dbraw/zinc/09/12/01/823091201.db2.gz PWUSXGMBEOEZRX-UHFFFAOYSA-N 1 0 395.098 4.378 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)NC(=O)Nc2cccc(C[NH+](C)C)c2)cc1 ZINC000175995034 823091173 /nfs/dbraw/zinc/09/11/73/823091173.db2.gz XUSUHCBSHXAISX-MRXNPFEDSA-N 1 0 377.492 4.125 20 0 GIADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCC[C@H](c1ccccc1)C(F)(F)F ZINC000458820317 823091734 /nfs/dbraw/zinc/09/17/34/823091734.db2.gz QPIHJGRKWJTXTF-CRAIPNDOSA-N 1 0 385.474 4.094 20 0 GIADRO CC(C)Sc1ccc([C@@H](C)NC(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)cc1 ZINC000176005527 823093599 /nfs/dbraw/zinc/09/35/99/823093599.db2.gz ZROZQLSSSPKPFC-UZLBHIALSA-N 1 0 378.582 4.158 20 0 GIADRO CC(C)Oc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NC(=O)Nc2ccccc2F)cc1 ZINC000056163585 823093966 /nfs/dbraw/zinc/09/39/66/823093966.db2.gz QZSVFWOKMBHRMV-CABCVRRESA-N 1 0 387.455 4.000 20 0 GIADRO C[NH+](C)CCN(Cc1ccco1)C(=O)NCC[C@@H](c1ccccc1)C(F)(F)F ZINC000458833304 823094440 /nfs/dbraw/zinc/09/44/40/823094440.db2.gz BBRVHUYRVRCBRD-SFHVURJKSA-N 1 0 397.441 4.089 20 0 GIADRO C[NH+]1CCC2(CCCN2C(=O)NC[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000458833042 823094548 /nfs/dbraw/zinc/09/45/48/823094548.db2.gz IIUQOOSCSDVUCG-WMLDXEAASA-N 1 0 396.362 4.367 20 0 GIADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NCC[C@H](c1ccccc1)C(F)(F)F ZINC000458835139 823094814 /nfs/dbraw/zinc/09/48/14/823094814.db2.gz CIUUEPSDADMZIK-QZTJIDSGSA-N 1 0 385.474 4.238 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1c[nH]cc1-c1ccc(F)cc1 ZINC000570847630 823095036 /nfs/dbraw/zinc/09/50/36/823095036.db2.gz TUIAWCLMZFNIPR-UZUQRXQVSA-N 1 0 391.490 4.461 20 0 GIADRO CCC(CC)c1cc(CNC(=O)NC2CC[NH+](CC3CCCC3)CC2)on1 ZINC000176017157 823096607 /nfs/dbraw/zinc/09/66/07/823096607.db2.gz KYTGFPIVKOYJRJ-UHFFFAOYSA-N 1 0 376.545 4.032 20 0 GIADRO O=C(NCC[C@H](c1ccccc1)C(F)(F)F)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000458845858 823096726 /nfs/dbraw/zinc/09/67/26/823096726.db2.gz PEFGHOISXXYUHA-RTBURBONSA-N 1 0 397.485 4.383 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[C@@H](c2ccccc2)C(F)(F)F)C[C@H]1C ZINC000458846759 823096888 /nfs/dbraw/zinc/09/68/88/823096888.db2.gz PTXVPTZOEXPVKJ-NJAFHUGGSA-N 1 0 385.474 4.237 20 0 GIADRO O=C(NCCCCC[NH+]1CCCC1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000458848341 823097227 /nfs/dbraw/zinc/09/72/27/823097227.db2.gz KPAPZZRFYUIOFX-GOSISDBHSA-N 1 0 386.565 4.409 20 0 GIADRO O=C(NCC[C@H](c1ccccc1)C(F)(F)F)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000458847872 823097319 /nfs/dbraw/zinc/09/73/19/823097319.db2.gz REPLFERYQHVWBS-RBUKOAKNSA-N 1 0 397.485 4.383 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1cccc(C(F)(F)F)c1F ZINC000176026081 823098892 /nfs/dbraw/zinc/09/88/92/823098892.db2.gz VWEURNTXWABUOV-UHFFFAOYSA-N 1 0 398.375 4.378 20 0 GIADRO O=C(Nc1cc(F)c(F)c(F)c1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000570889912 823102776 /nfs/dbraw/zinc/10/27/76/823102776.db2.gz XYYOMBLCBWNHMF-HZPDHXFCSA-N 1 0 389.421 4.090 20 0 GIADRO CC[C@@H](NC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)c1ccncc1 ZINC000176027074 823099049 /nfs/dbraw/zinc/09/90/49/823099049.db2.gz GIXXSTQTEOLNDM-JOCHJYFZSA-N 1 0 380.536 4.408 20 0 GIADRO Cc1ccc2[nH]c([C@H]3CCCN3C(=O)NC3CC[NH+](C4CCCC4)CC3)nc2c1 ZINC000176026668 823099132 /nfs/dbraw/zinc/09/91/32/823099132.db2.gz FDBBOQQEENZXDB-OAQYLSRUSA-N 1 0 395.551 4.125 20 0 GIADRO C[NH+](C)CCN(Cc1cccs1)C(=O)N[C@H]1CCCc2c(F)cccc21 ZINC000458872651 823099927 /nfs/dbraw/zinc/09/99/27/823099927.db2.gz BHAIALAZUNCGHN-IBGZPJMESA-N 1 0 375.513 4.038 20 0 GIADRO C[NH+](C)CCN(Cc1cccs1)C(=O)N[C@@H]1CCCc2c(F)cccc21 ZINC000458872652 823099959 /nfs/dbraw/zinc/09/99/59/823099959.db2.gz BHAIALAZUNCGHN-LJQANCHMSA-N 1 0 375.513 4.038 20 0 GIADRO Cc1noc(C)c1C(C)(C)C(=O)NC[C@H](c1ccc(CC(C)C)cc1)[NH+](C)C ZINC000570878184 823100925 /nfs/dbraw/zinc/10/09/25/823100925.db2.gz RUPBKIKZJVFECY-HXUWFJFHSA-N 1 0 385.552 4.187 20 0 GIADRO COc1cc(C[NH2+][C@H]2C[C@@H](OC(C)C)C2(C)C)cc(OC)c1OCC(F)F ZINC000570881659 823101136 /nfs/dbraw/zinc/10/11/36/823101136.db2.gz QVVNFROOGOZISC-DLBZAZTESA-N 1 0 387.467 4.029 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1)C(=O)NC(C)(C)C ZINC000056207182 823103138 /nfs/dbraw/zinc/10/31/38/823103138.db2.gz UZMDDCFFGULGGT-GJZGRUSLSA-N 1 0 385.483 4.032 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1cccc(OCc2ccccn2)c1)C(=O)Nc1ccccc1 ZINC000056201358 823102037 /nfs/dbraw/zinc/10/20/37/823102037.db2.gz JMZSJNNFSSHDBN-QZTJIDSGSA-N 1 0 375.472 4.338 20 0 GIADRO CC(C)CCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000056207101 823103147 /nfs/dbraw/zinc/10/31/47/823103147.db2.gz XPWSVPIMMJWBQI-SJORKVTESA-N 1 0 399.510 4.279 20 0 GIADRO CC1(C)CCC[N@H+](CCNC(=O)CCc2nc3cc(Cl)ccc3s2)C1 ZINC000570896876 823104541 /nfs/dbraw/zinc/10/45/41/823104541.db2.gz ZPGQPVHZFVMVQR-UHFFFAOYSA-N 1 0 379.957 4.121 20 0 GIADRO Cc1cccnc1[C@@H]([NH2+]Cc1cccc(C(=O)NCc2ccco2)c1)C(C)C ZINC000121026974 823105236 /nfs/dbraw/zinc/10/52/36/823105236.db2.gz XLKGMJLVYCKVCM-NRFANRHFSA-N 1 0 377.488 4.400 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)Nc3cccc(C4CC4)n3)c(C)c2)CC1 ZINC000570902078 823105308 /nfs/dbraw/zinc/10/53/08/823105308.db2.gz BAOJEAAGXZVNSA-UHFFFAOYSA-N 1 0 379.508 4.053 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)c2cc(C3CCCCC3)n[nH]2)CC1 ZINC000121030893 823105934 /nfs/dbraw/zinc/10/59/34/823105934.db2.gz BLTWQJDXUVFXAC-UHFFFAOYSA-N 1 0 380.536 4.194 20 0 GIADRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)c3nc4ccccc4nc3C3CC3)cccc21 ZINC000570915469 823107133 /nfs/dbraw/zinc/10/71/33/823107133.db2.gz FHEUXEOSGLJJFX-LJQANCHMSA-N 1 0 388.471 4.145 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@H](c1ccc(F)cc1)C(C)(C)C ZINC000176051836 823107334 /nfs/dbraw/zinc/10/73/34/823107334.db2.gz BUEDGFAUJDGDKR-HXUWFJFHSA-N 1 0 399.510 4.038 20 0 GIADRO C[N@@H+]1CC[C@@H](CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)C1 ZINC000187658606 823107318 /nfs/dbraw/zinc/10/73/18/823107318.db2.gz FVIMJSXUGCRBRE-CQSZACIVSA-N 1 0 385.924 4.027 20 0 GIADRO CC(C)(C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1cccc(Cl)c1 ZINC000570920007 823107749 /nfs/dbraw/zinc/10/77/49/823107749.db2.gz YWAGETPCBKOGOG-OXJNMPFZSA-N 1 0 388.914 4.266 20 0 GIADRO COc1ccccc1-c1nnc(SC[C@H]2CC[N@H+](C)C2)n1-c1ccc(C)cc1 ZINC000187667193 823109256 /nfs/dbraw/zinc/10/92/56/823109256.db2.gz PXXSYCXYIHZABX-KRWDZBQOSA-N 1 0 394.544 4.295 20 0 GIADRO C[C@H](Cc1ccccc1)C(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000570936883 823109822 /nfs/dbraw/zinc/10/98/22/823109822.db2.gz YBRLXHDLNVZVBS-OAQYLSRUSA-N 1 0 376.544 4.380 20 0 GIADRO CC(=O)Nc1cccc(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)c1C ZINC000187674129 823110622 /nfs/dbraw/zinc/11/06/22/823110622.db2.gz HLKUIGCCOTUEDD-UHFFFAOYSA-N 1 0 393.531 4.259 20 0 GIADRO COc1ccc(C[NH2+][C@H](C)CC(=O)Nc2ccccc2C(F)(F)F)c(OC)c1 ZINC000121060792 823111193 /nfs/dbraw/zinc/11/11/93/823111193.db2.gz UCLULCQJHBJZSS-CYBMUJFWSA-N 1 0 396.409 4.230 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)CCc1ccc(Br)cc1 ZINC000176077940 823113971 /nfs/dbraw/zinc/11/39/71/823113971.db2.gz KVSFEAPSSQWXFT-MRXNPFEDSA-N 1 0 381.358 4.153 20 0 GIADRO CCO[C@H]1C[C@@]([NH3+])(C(=O)Nc2nc(-c3ccc4c(c3)CCC4)c(C)s2)C1(C)C ZINC000187681182 823111750 /nfs/dbraw/zinc/11/17/50/823111750.db2.gz NGZDBGCARZJBEE-HTAPYJJXSA-N 1 0 399.560 4.078 20 0 GIADRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2[nH]c3ccc(Cl)cc3c2Cl)C[C@@H](C)C1 ZINC000570954509 823111867 /nfs/dbraw/zinc/11/18/67/823111867.db2.gz OSXXKFZQPHRPOY-MKBNYLNASA-N 1 0 380.319 4.277 20 0 GIADRO C[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccc(F)c2ccccc21 ZINC000570960853 823112213 /nfs/dbraw/zinc/11/22/13/823112213.db2.gz JQDQVZDPKOVNRJ-PKOBYXMFSA-N 1 0 391.490 4.463 20 0 GIADRO CC[C@H](C(=O)Nc1ccc(CN(C(C)=O)C2CC2)cc1)[N@H+](C)Cc1ccccc1 ZINC000570980326 823115109 /nfs/dbraw/zinc/11/51/09/823115109.db2.gz VYSVSJJVGSLDGA-HSZRJFAPSA-N 1 0 393.531 4.047 20 0 GIADRO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccccc1OC(F)F)c1ccc(OC)cc1 ZINC000121085153 823115771 /nfs/dbraw/zinc/11/57/71/823115771.db2.gz RMBKBNUOPABPSZ-CZUORRHYSA-N 1 0 378.419 4.365 20 0 GIADRO O=C(c1ccc(C2SCCCS2)cc1)N1CCC([NH+]2CCCC2)CC1 ZINC000121086826 823115796 /nfs/dbraw/zinc/11/57/96/823115796.db2.gz BCEFFTVAMNMCNY-UHFFFAOYSA-N 1 0 376.591 4.256 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@H](c2ccc(F)c(Cl)c2)C2CC2)C1 ZINC000459008573 823116195 /nfs/dbraw/zinc/11/61/95/823116195.db2.gz LYAPBIAACRRZSL-KUHUBIRLSA-N 1 0 381.923 4.304 20 0 GIADRO CC[NH+](CC)[C@H](CN[C@@H](c1ncc[nH]1)c1ccc(F)cc1)c1cccc(OC)c1 ZINC000187716633 823119432 /nfs/dbraw/zinc/11/94/32/823119432.db2.gz WRLYSGVYKBUYOP-FGZHOGPDSA-N 1 0 396.510 4.320 20 0 GIADRO CC[N@H+](CCC1CCN(C(=O)NC[C@@H]2CCOC3(CCC3)C2)CC1)CC(C)C ZINC000459021909 823117926 /nfs/dbraw/zinc/11/79/26/823117926.db2.gz OUTBVSMKMPKTBU-OAQYLSRUSA-N 1 0 393.616 4.125 20 0 GIADRO COC1(C[NH2+]Cc2cccc(-c3nc(CC(F)(F)F)no3)c2)CCCCC1 ZINC000571010075 823119551 /nfs/dbraw/zinc/11/95/51/823119551.db2.gz VCQKOFJUTUIECU-UHFFFAOYSA-N 1 0 383.414 4.280 20 0 GIADRO Cc1cc(C)n(Cc2cccc(-c3noc([C@]4(F)CC[N@@H+](C(C)(C)C)C4)n3)c2)n1 ZINC000571012986 823120178 /nfs/dbraw/zinc/12/01/78/823120178.db2.gz ZDFFGIDKQMFDDG-QFIPXVFZSA-N 1 0 397.498 4.267 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)CC[N@@H+]1Cc1ccccc1 ZINC000176101703 823120838 /nfs/dbraw/zinc/12/08/38/823120838.db2.gz SAFDSPUILZJYEN-YLJYHZDGSA-N 1 0 394.563 4.298 20 0 GIADRO C[NH+](C)C1CCN(C(=O)Nc2ccccc2-c2cc(F)c(F)c(F)c2)CC1 ZINC000176102241 823120849 /nfs/dbraw/zinc/12/08/49/823120849.db2.gz YXWYJPNSKRMVFI-UHFFFAOYSA-N 1 0 377.410 4.329 20 0 GIADRO COc1ccc2c(CC(=O)N[C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)coc2c1 ZINC000176102775 823121115 /nfs/dbraw/zinc/12/11/15/823121115.db2.gz HPGCOFLUENBEGH-PXNSSMCTSA-N 1 0 392.499 4.153 20 0 GIADRO COc1cc(C2(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)CC2)ccc1C ZINC000176105199 823121950 /nfs/dbraw/zinc/12/19/50/823121950.db2.gz KTRCZPFLEQGKPS-KNQAVFIVSA-N 1 0 392.543 4.205 20 0 GIADRO CCOc1cc2c(cc1C[NH2+]CCC(=O)Nc1cccc(Cl)c1)O[C@H](C)C2 ZINC000571026192 823122010 /nfs/dbraw/zinc/12/20/10/823122010.db2.gz WNPMMGNKEZINKX-CQSZACIVSA-N 1 0 388.895 4.181 20 0 GIADRO C[C@@H](NC(=O)N1CCC(c2nc3ccccc3s2)CC1)C(C)(C)C[NH+](C)C ZINC000121135870 823124531 /nfs/dbraw/zinc/12/45/31/823124531.db2.gz KEMRVGLFZOIELR-OAHLLOKOSA-N 1 0 388.581 4.162 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)Nc1c(F)cccc1Cl ZINC000571043386 823124533 /nfs/dbraw/zinc/12/45/33/823124533.db2.gz KIJHEELPSZXCBU-UHFFFAOYSA-N 1 0 385.817 4.353 20 0 GIADRO Cc1csc(Sc2ccc(NC(=O)N[C@H]3C[NH2+]CC[C@H]3C)c(C)c2)n1 ZINC000571027824 823122236 /nfs/dbraw/zinc/12/22/36/823122236.db2.gz JOGWWNBCCAOCRU-BZNIZROVSA-N 1 0 376.551 4.031 20 0 GIADRO COc1ccc(C[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)cc1OCCC(C)C ZINC000571028923 823122286 /nfs/dbraw/zinc/12/22/86/823122286.db2.gz LVLUXXXGMWIWEW-LPHOPBHVSA-N 1 0 389.458 4.255 20 0 GIADRO CC(=O)Nc1cccc2c1CC[N@H+](Cc1cccc(OCC(F)(F)F)c1)C2 ZINC000056294492 823122608 /nfs/dbraw/zinc/12/26/08/823122608.db2.gz GCVBNGFVPAYIEF-UHFFFAOYSA-N 1 0 378.394 4.144 20 0 GIADRO CSc1ccc(NC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)cc1Cl ZINC000176108529 823122732 /nfs/dbraw/zinc/12/27/32/823122732.db2.gz SPLKPNSJNJHEBH-UHFFFAOYSA-N 1 0 397.972 4.171 20 0 GIADRO O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)[N@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000571034937 823123229 /nfs/dbraw/zinc/12/32/29/823123229.db2.gz YJFXZAKKLWVONP-CZYKHXBRSA-N 1 0 382.479 4.131 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)N[C@H]2CCO[C@H](c3cccs3)C2)CC1 ZINC000459069926 823123714 /nfs/dbraw/zinc/12/37/14/823123714.db2.gz MMQHBASAOFVSMV-OALUTQOASA-N 1 0 393.597 4.122 20 0 GIADRO CCc1ncc(C[NH2+]C[C@@H](O)COc2ccc(C(C)(C)c3ccccc3)cc2)o1 ZINC000571040257 823124109 /nfs/dbraw/zinc/12/41/09/823124109.db2.gz YUMCZIVAPVTHQW-HXUWFJFHSA-N 1 0 394.515 4.092 20 0 GIADRO C[C@H](NC(=O)NC[C@H]1[NH2+]CCc2ccccc21)c1nc(-c2ccccc2)cs1 ZINC000571058852 823126280 /nfs/dbraw/zinc/12/62/80/823126280.db2.gz ZZCANXLPHHARMY-HNAYVOBHSA-N 1 0 392.528 4.057 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)N(Cc1c(F)cccc1F)C1CCCC1 ZINC000459092153 823126879 /nfs/dbraw/zinc/12/68/79/823126879.db2.gz FVYUHDCOHUCSNI-UHFFFAOYSA-N 1 0 391.506 4.436 20 0 GIADRO C[C@H]1C[C@@H](NC(=O)CSc2ccc(F)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000176122374 823127636 /nfs/dbraw/zinc/12/76/36/823127636.db2.gz NYSCGDLTMUVHRX-RDJZCZTQSA-N 1 0 390.499 4.226 20 0 GIADRO CN(CCCCc1ccccc1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000056329101 823129118 /nfs/dbraw/zinc/12/91/18/823129118.db2.gz VNZKHIHZBPZSNL-UHFFFAOYSA-N 1 0 379.548 4.315 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)N(Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000459118520 823130484 /nfs/dbraw/zinc/13/04/84/823130484.db2.gz VWQOFVMVLWFCKK-UHFFFAOYSA-N 1 0 397.563 4.093 20 0 GIADRO COc1ccc(CCCC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000176130624 823131083 /nfs/dbraw/zinc/13/10/83/823131083.db2.gz QGSOAAJDTNOUDN-DENIHFKCSA-N 1 0 380.532 4.187 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)Cc2c[nH]c3ccc(F)cc23)CC[N@@H+]1Cc1ccccc1 ZINC000176134515 823132188 /nfs/dbraw/zinc/13/21/88/823132188.db2.gz LXFWKBGTNBGKFK-UZLBHIALSA-N 1 0 379.479 4.019 20 0 GIADRO O=C(NCCC1CC(F)(F)C1)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000459134248 823132857 /nfs/dbraw/zinc/13/28/57/823132857.db2.gz KCIRIMCECAWSCL-UHFFFAOYSA-N 1 0 391.506 4.120 20 0 GIADRO C[C@H](NC(=O)N1CCC[C@H]([N@H+](C)Cc2ccccn2)CC1)[C@@H]1CCC[C@@H](C)C1 ZINC000459133207 823132906 /nfs/dbraw/zinc/13/29/06/823132906.db2.gz CCOGXCJLJUJFIH-DYQZNNLLSA-N 1 0 386.584 4.292 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+]C1CCN(Cc3ccccn3)CC1)CCCS2 ZINC000187788285 823133143 /nfs/dbraw/zinc/13/31/43/823133143.db2.gz NPVIJRFYWPJLNY-OAQYLSRUSA-N 1 0 383.561 4.271 20 0 GIADRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1cc2ccc(F)cc2nc1C ZINC000121191934 823135542 /nfs/dbraw/zinc/13/55/42/823135542.db2.gz QCJZHUHNJINYKQ-REWPJTCUSA-N 1 0 389.474 4.439 20 0 GIADRO COc1ccc([C@@H](NC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c2ccco2)cc1 ZINC000459137971 823133438 /nfs/dbraw/zinc/13/34/38/823133438.db2.gz AEVNDDYWKBBPOP-DENIHFKCSA-N 1 0 397.519 4.038 20 0 GIADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000459140354 823133721 /nfs/dbraw/zinc/13/37/21/823133721.db2.gz NIHVQZFVOLAANE-BPAFIMBUSA-N 1 0 377.960 4.348 20 0 GIADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2ccc3nc(Cl)ccc3c2)CC1 ZINC000121181841 823133806 /nfs/dbraw/zinc/13/38/06/823133806.db2.gz KFHNXIRGZINHSG-HNNXBMFYSA-N 1 0 394.906 4.239 20 0 GIADRO CC(C)c1nccn1Cc1cccc(NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000121189479 823135202 /nfs/dbraw/zinc/13/52/02/823135202.db2.gz ZNLHLNNAYYTKNF-QGZVFWFLSA-N 1 0 385.556 4.153 20 0 GIADRO C[C@H](c1cc(F)ccc1F)N(C)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000056360377 823136081 /nfs/dbraw/zinc/13/60/81/823136081.db2.gz IPOCMQBUBIZTPV-KDOFPFPSSA-N 1 0 377.435 4.097 20 0 GIADRO C[C@H](NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)[C@H]1CCC[C@H](C)C1 ZINC000459179527 823138856 /nfs/dbraw/zinc/13/88/56/823138856.db2.gz XBRRHHKMXGFBLJ-JYJNAYRXSA-N 1 0 377.495 4.259 20 0 GIADRO C/C(=C\c1ccccc1OC(F)F)C[N@H+](Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000571132146 823138350 /nfs/dbraw/zinc/13/83/50/823138350.db2.gz ZTTQNCNEZLYEMP-NTCAYCPXSA-N 1 0 386.442 4.455 20 0 GIADRO C[C@@H](CCCc1cccnc1)NC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000459194271 823141464 /nfs/dbraw/zinc/14/14/64/823141464.db2.gz DRBZTNJHYZNMTH-SFTDATJTSA-N 1 0 394.563 4.099 20 0 GIADRO c1cc([C@@H]2CCC[N@@H+](Cc3cn(-c4ccccc4)nc3-c3ccncc3)C2)n[nH]1 ZINC000121222772 823141914 /nfs/dbraw/zinc/14/19/14/823141914.db2.gz IXINHIWTTMTIOF-LJQANCHMSA-N 1 0 384.487 4.037 20 0 GIADRO [NH3+]Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2SCC(F)F)co1 ZINC000187830915 823141912 /nfs/dbraw/zinc/14/19/12/823141912.db2.gz XDKHTAUHXHJUIR-UHFFFAOYSA-N 1 0 380.338 4.367 20 0 GIADRO C[C@H](c1cc(F)ccc1F)N(C)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000056394791 823142391 /nfs/dbraw/zinc/14/23/91/823142391.db2.gz IMDVZMMVDDAYQP-MRXNPFEDSA-N 1 0 387.474 4.463 20 0 GIADRO CC[N@H+](CCc1nccs1)[C@@H](C)C(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000121227095 823142427 /nfs/dbraw/zinc/14/24/27/823142427.db2.gz SCVLXXLDRKDIQG-IRXDYDNUSA-N 1 0 381.545 4.427 20 0 GIADRO O=C(c1cccc(C[NH+]2CCCC2)c1)N1CCc2ccc(Br)cc2C1 ZINC000571188252 823145806 /nfs/dbraw/zinc/14/58/06/823145806.db2.gz DFSXNVMIMXDJCF-UHFFFAOYSA-N 1 0 399.332 4.243 20 0 GIADRO CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000459208733 823144544 /nfs/dbraw/zinc/14/45/44/823144544.db2.gz GPPMTUVAOIBKQE-UHFFFAOYSA-N 1 0 390.409 4.473 20 0 GIADRO C[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)c1ccc(Oc2cccnc2)cc1 ZINC000571196589 823147078 /nfs/dbraw/zinc/14/70/78/823147078.db2.gz NOYNMRBLSZXHKM-KRWDZBQOSA-N 1 0 375.472 4.427 20 0 GIADRO COc1ccc2c(c1)[C@@H]([NH2+]CCCS(=O)(=O)c1ccccc1)CCCS2 ZINC000187857177 823147263 /nfs/dbraw/zinc/14/72/63/823147263.db2.gz AQULQBYCVMXGSJ-IBGZPJMESA-N 1 0 391.558 4.076 20 0 GIADRO COc1ccc([C@@H](NC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)C(C)C)cc1 ZINC000121252741 823147996 /nfs/dbraw/zinc/14/79/96/823147996.db2.gz NOANFWXIHHDHPT-QFIPXVFZSA-N 1 0 399.535 4.291 20 0 GIADRO CSc1ccc(OCC[N@H+](Cc2cccc(O)c2)[C@H]2CC[C@H](O)CC2)cc1 ZINC000571223045 823151227 /nfs/dbraw/zinc/15/12/27/823151227.db2.gz QBJFMTPJVYCDAQ-WGSAOQKQSA-N 1 0 387.545 4.299 20 0 GIADRO CCOc1ccc([C@@H](C)NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000056441211 823149425 /nfs/dbraw/zinc/14/94/25/823149425.db2.gz SXCSARLSJDVOOS-QGZVFWFLSA-N 1 0 399.510 4.249 20 0 GIADRO CCc1ccc(CN(C)C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000056441677 823149828 /nfs/dbraw/zinc/14/98/28/823149828.db2.gz USFUDKVQCIGPQD-UHFFFAOYSA-N 1 0 383.511 4.194 20 0 GIADRO COc1c(F)cc(NC(=O)N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)cc1F ZINC000571233803 823152812 /nfs/dbraw/zinc/15/28/12/823152812.db2.gz DWPKCNVHZIWUSX-ACJLOTCBSA-N 1 0 377.435 4.095 20 0 GIADRO COC(=O)[C@H](NCc1ccc(C[NH+]2CCCCCC2)cc1)c1ccc(F)cc1 ZINC000571241479 823154024 /nfs/dbraw/zinc/15/40/24/823154024.db2.gz UDJQIXANSHVXSK-JOCHJYFZSA-N 1 0 384.495 4.206 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NC1CCC(C(F)F)CC1 ZINC000459269570 823154304 /nfs/dbraw/zinc/15/43/04/823154304.db2.gz BHVNZWXJZWUUOB-UHFFFAOYSA-N 1 0 394.510 4.153 20 0 GIADRO c1cc([C@@H]2CCC[N@@H+](Cc3cn(-c4ccccc4)nc3-c3cccnc3)C2)n[nH]1 ZINC000121283308 823154865 /nfs/dbraw/zinc/15/48/65/823154865.db2.gz MARFIIBBOVFWCP-LJQANCHMSA-N 1 0 384.487 4.037 20 0 GIADRO CCOc1ccc(-c2nc(C[N@@H+]3CCCN4c5ccccc5C[C@H]4C3)co2)cc1 ZINC000571247791 823155317 /nfs/dbraw/zinc/15/53/17/823155317.db2.gz FWCBHUAPOPRCAH-NRFANRHFSA-N 1 0 389.499 4.377 20 0 GIADRO FC(F)(F)CCN1CCC([NH2+]C[C@H](Cc2ccccc2)C(F)(F)F)CC1 ZINC000571249434 823155703 /nfs/dbraw/zinc/15/57/03/823155703.db2.gz LASBKRDFELVCOB-HNNXBMFYSA-N 1 0 382.392 4.414 20 0 GIADRO CCCO[C@@H]1CCC[N@H+](Cc2nnc(-c3cc4c(s3)CCCC4)o2)CC1 ZINC000121297645 823157530 /nfs/dbraw/zinc/15/75/30/823157530.db2.gz ZJYYPJYQQYILMN-MRXNPFEDSA-N 1 0 375.538 4.458 20 0 GIADRO C[NH+](C)C[C@@H](NC(=O)Nc1ccccc1OCC(F)(F)F)c1ccc(F)cc1 ZINC000571271678 823158622 /nfs/dbraw/zinc/15/86/22/823158622.db2.gz ZGIDBURVYFVUOZ-MRXNPFEDSA-N 1 0 399.388 4.191 20 0 GIADRO CC(C)c1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC000571273916 823159191 /nfs/dbraw/zinc/15/91/91/823159191.db2.gz FGKDVEWTCULFPX-RTBURBONSA-N 1 0 393.531 4.122 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)N[C@@H](C1CC1)C(C)(C)CO)C1CCCCC1 ZINC000459307605 823159219 /nfs/dbraw/zinc/15/92/19/823159219.db2.gz JFUNODQSJKYZCU-NRFANRHFSA-N 1 0 387.568 4.370 20 0 GIADRO C[C@H](Sc1ccnc2cc(Cl)ccc21)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000176242929 823161405 /nfs/dbraw/zinc/16/14/05/823161405.db2.gz OXRMFUDGEHBRLB-AWEZNQCLSA-N 1 0 391.968 4.169 20 0 GIADRO O=C(N[C@H]1CCc2c1cccc2Cl)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000056517228 823160432 /nfs/dbraw/zinc/16/04/32/823160432.db2.gz SPTJHCREWPHKNJ-NRFANRHFSA-N 1 0 383.923 4.291 20 0 GIADRO CCC[C@@H](NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)C1CCCC1 ZINC000459327489 823161737 /nfs/dbraw/zinc/16/17/37/823161737.db2.gz YCSIAHJYQVQDMT-QGZVFWFLSA-N 1 0 377.495 4.404 20 0 GIADRO CC[C@@H]([NH2+]CC1CCN(C(C)=O)CC1)c1ccc(Br)cc1Cl ZINC000187974063 823165996 /nfs/dbraw/zinc/16/59/96/823165996.db2.gz VFEADMNMGXSEII-QGZVFWFLSA-N 1 0 387.749 4.402 20 0 GIADRO C[C@H]1CN(c2ccccc2C[NH+]2CCC(OCCc3ccccc3)CC2)CCO1 ZINC000459331469 823162723 /nfs/dbraw/zinc/16/27/23/823162723.db2.gz UCGRQOYASXPIEG-NRFANRHFSA-N 1 0 394.559 4.135 20 0 GIADRO Cc1cc(F)c(CNc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)c(Cl)c1 ZINC000459337367 823164177 /nfs/dbraw/zinc/16/41/77/823164177.db2.gz CYDQBLVTHOTSJU-UHFFFAOYSA-N 1 0 389.902 4.097 20 0 GIADRO Cc1noc(C2CCC([NH2+][C@@H]3CCN(Cc4ccccc4)C4(CC4)C3)CC2)n1 ZINC000571325619 823165511 /nfs/dbraw/zinc/16/55/11/823165511.db2.gz QXJNJFOWDIOAAO-XVAXZDLZSA-N 1 0 380.536 4.191 20 0 GIADRO Clc1ccc([C@@H](Cc2cccnc2)[NH2+]C[C@H]2CCCN2c2cccnn2)cc1 ZINC000571335322 823166860 /nfs/dbraw/zinc/16/68/60/823166860.db2.gz MVBKBHRTZAMYPK-NHCUHLMSSA-N 1 0 393.922 4.067 20 0 GIADRO O=C1C[C@H]([C@@H]2CCCC[N@@H+]2C/C=C\c2ccc(OCc3ccccc3)cc2)CN1 ZINC000459360473 823171639 /nfs/dbraw/zinc/17/16/39/823171639.db2.gz OHXFXJFONIWUBL-ZJGCOISNSA-N 1 0 390.527 4.269 20 0 GIADRO Cc1cccc(NC2CC[NH+](Cc3ccccc3N3CCO[C@H](C)C3)CC2)c1 ZINC000459348045 823167715 /nfs/dbraw/zinc/16/77/15/823167715.db2.gz QTFKMIITTNFZCV-HXUWFJFHSA-N 1 0 379.548 4.297 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000056553218 823167833 /nfs/dbraw/zinc/16/78/33/823167833.db2.gz ZVLCSBCVLINPIT-OAQYLSRUSA-N 1 0 398.938 4.209 20 0 GIADRO CC1CC[NH+]([C@H](CNC(=O)N2CCC[C@H]2c2ccccn2)c2cccs2)CC1 ZINC000056553318 823168140 /nfs/dbraw/zinc/16/81/40/823168140.db2.gz GPOBKPKLTDRPQO-VQTJNVASSA-N 1 0 398.576 4.463 20 0 GIADRO CCOC(=O)c1c(C)c2ccccc2nc1C[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC000571342288 823168297 /nfs/dbraw/zinc/16/82/97/823168297.db2.gz ZFZMRCXMJXQOAZ-GOSISDBHSA-N 1 0 375.472 4.104 20 0 GIADRO Cc1nnc(CN[C@@H](CCC[NH+]2CCC(C)CC2)c2ccc(F)cc2)s1 ZINC000571349659 823169299 /nfs/dbraw/zinc/16/92/99/823169299.db2.gz XVFOVYMLMDOMSH-IBGZPJMESA-N 1 0 376.545 4.329 20 0 GIADRO CCOc1ccc(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1OC ZINC000176274105 823169438 /nfs/dbraw/zinc/16/94/38/823169438.db2.gz QNLQJNYTMHEMOI-UHFFFAOYSA-N 1 0 375.513 4.013 20 0 GIADRO c1c(C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459354819 823169889 /nfs/dbraw/zinc/16/98/89/823169889.db2.gz JTHVXZXZUFYTQY-OALUTQOASA-N 1 0 380.536 4.309 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)N[C@@H]2C[C@H]2c2c(F)cccc2Cl)CC1 ZINC000571364359 823171942 /nfs/dbraw/zinc/17/19/42/823171942.db2.gz JTHHKBGVRSZHSI-CRAIPNDOSA-N 1 0 381.923 4.097 20 0 GIADRO CC(C)OCc1cccc(NC(=O)N(CC[NH+](C)C)Cc2ccsc2)c1 ZINC000459361697 823171969 /nfs/dbraw/zinc/17/19/69/823171969.db2.gz OXIAHDYSIAQMQF-UHFFFAOYSA-N 1 0 375.538 4.269 20 0 GIADRO C[NH+](C)CCN(C(=O)c1nc2ccccc2cc1Br)c1ccccc1 ZINC000571359114 823170500 /nfs/dbraw/zinc/17/05/00/823170500.db2.gz IREFERCSMVIJHV-UHFFFAOYSA-N 1 0 398.304 4.206 20 0 GIADRO CCO[C@H]1C[C@]([NH3+])(C(=O)NCC2(Sc3ccc(C)cc3)CCCC2)C1(C)C ZINC000188005476 823170732 /nfs/dbraw/zinc/17/07/32/823170732.db2.gz XUOWUGGUNNNOQO-AVRDEDQJSA-N 1 0 390.593 4.049 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@@H](C)c2ccccc2Cl)c1 ZINC000121371686 823172036 /nfs/dbraw/zinc/17/20/36/823172036.db2.gz ZWKHRKCCYARUIQ-KBPBESRZSA-N 1 0 376.884 4.425 20 0 GIADRO O=C1C[C@H]([C@@H]2CCCC[N@@H+]2C/C=C/c2ccc(OCc3ccccc3)cc2)CN1 ZINC000459360470 823171533 /nfs/dbraw/zinc/17/15/33/823171533.db2.gz OHXFXJFONIWUBL-GKFGRCMVSA-N 1 0 390.527 4.269 20 0 GIADRO Cc1ccc(NC(=O)NCc2ccc(C[NH+](C)C)cc2)c(OCC(F)(F)F)c1 ZINC000056572005 823172280 /nfs/dbraw/zinc/17/22/80/823172280.db2.gz ZEGZXIZHLAZJQF-UHFFFAOYSA-N 1 0 395.425 4.319 20 0 GIADRO Cc1ccc(C(=O)N(C)CC2([NH+](C)C)CCC2)cc1NC(=O)Nc1ccccc1 ZINC000188017976 823172519 /nfs/dbraw/zinc/17/25/19/823172519.db2.gz TVCICVRIMWYZML-UHFFFAOYSA-N 1 0 394.519 4.195 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)Nc1cccc(COCC2CC2)c1 ZINC000459364824 823173476 /nfs/dbraw/zinc/17/34/76/823173476.db2.gz JNFYRGANIQPGII-UHFFFAOYSA-N 1 0 387.549 4.270 20 0 GIADRO C(=C/c1ccc(OCc2ccccc2)cc1)\C[N@@H+]1CCOC2(CCOCC2)C1 ZINC000459366886 823174199 /nfs/dbraw/zinc/17/41/99/823174199.db2.gz YCFMDWYMDWDGAC-QPJJXVBHSA-N 1 0 379.500 4.160 20 0 GIADRO CCOc1ccc(C(=O)N2CCC([NH2+]Cc3ccc(C4CC4)cc3)CC2)cc1 ZINC000459369956 823174422 /nfs/dbraw/zinc/17/44/22/823174422.db2.gz FRECDQFDOJYKPI-UHFFFAOYSA-N 1 0 378.516 4.357 20 0 GIADRO Fc1cccc(OCC[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)c1 ZINC000459372358 823175058 /nfs/dbraw/zinc/17/50/58/823175058.db2.gz KUQDMUTUTCINSV-UHFFFAOYSA-N 1 0 380.467 4.368 20 0 GIADRO Cc1cc(NC(=O)N2CC3(CCC3)[C@H]2c2ccccc2)n(C2CC[NH+](C)CC2)n1 ZINC000571383009 823175555 /nfs/dbraw/zinc/17/55/55/823175555.db2.gz UCRBNVHMOHJAGM-OAQYLSRUSA-N 1 0 393.535 4.217 20 0 GIADRO CCOc1cc2c(cc1C[NH2+]Cc1cnc(-c3ccncc3)s1)O[C@@H](C)C2 ZINC000571391416 823176332 /nfs/dbraw/zinc/17/63/32/823176332.db2.gz CQOPOTJUTBXFNQ-AWEZNQCLSA-N 1 0 381.501 4.217 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000459377533 823176750 /nfs/dbraw/zinc/17/67/50/823176750.db2.gz OZWDVZYIYUAFNU-LJQANCHMSA-N 1 0 381.568 4.224 20 0 GIADRO Cc1ccc([C@H](CNC(=O)N2CCCC[C@H]2c2nccs2)[NH+]2CCCC2)o1 ZINC000176302553 823176802 /nfs/dbraw/zinc/17/68/02/823176802.db2.gz AXOJTOHHMIVNKA-IRXDYDNUSA-N 1 0 388.537 4.118 20 0 GIADRO O=C(C1CC[NH+](CCOCC2CCCC2)CC1)N(Cc1ccccc1)C1CC1 ZINC000459380539 823177778 /nfs/dbraw/zinc/17/77/78/823177778.db2.gz QJKKRXTYYNCQTM-UHFFFAOYSA-N 1 0 384.564 4.096 20 0 GIADRO CO[C@@H]1CCN(Cc2ccc(-c3ccc(C(F)(F)F)cc3)s2)[C@H](C[NH3+])C1 ZINC000571403549 823178074 /nfs/dbraw/zinc/17/80/74/823178074.db2.gz LFQCBHGQHNRRFF-JKSUJKDBSA-N 1 0 384.467 4.372 20 0 GIADRO Clc1cccc(C2(C[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCCC4)CCOCC2)c1 ZINC000121407527 823179099 /nfs/dbraw/zinc/17/90/99/823179099.db2.gz TWCBPRCLOOKFLR-AQNXPRMDSA-N 1 0 375.940 4.326 20 0 GIADRO COc1ccc(CCC2CCN(C(=O)Nc3cccc4c3CC[NH2+]C4)CC2)cc1 ZINC000571415431 823179743 /nfs/dbraw/zinc/17/97/43/823179743.db2.gz MLHWPLVEXPNLMO-UHFFFAOYSA-N 1 0 393.531 4.218 20 0 GIADRO C[C@H]([NH2+]C1(CN[C@@H]2CCc3c2cc(F)cc3F)CCOCC1)c1ccccc1 ZINC000121411402 823179912 /nfs/dbraw/zinc/17/99/12/823179912.db2.gz CHSMUSLYGNOQLE-KSFYIVLOSA-N 1 0 386.486 4.442 20 0 GIADRO Clc1sc(C[NH2+]Cc2ccnc(-n3cccn3)c2)cc1Br ZINC000190748419 823604833 /nfs/dbraw/zinc/60/48/33/823604833.db2.gz AEJXIUPDLVBQMZ-UHFFFAOYSA-N 1 0 383.702 4.035 20 0 GIADRO CC[C@H](C)Oc1ccc(NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000056610664 823180341 /nfs/dbraw/zinc/18/03/41/823180341.db2.gz DTMBSZRLHKJGKV-KRWDZBQOSA-N 1 0 382.508 4.045 20 0 GIADRO COc1cc(OC)cc(C2(F)CCN(Cc3cn4c(cccc4C)n3)CC2)c1 ZINC000571420863 823180467 /nfs/dbraw/zinc/18/04/67/823180467.db2.gz BMCOZEHYDNCXGJ-UHFFFAOYSA-N 1 0 383.467 4.121 20 0 GIADRO Fc1cccc(C[N@H+]2CCC[C@H](c3nc(COc4cccc(F)c4)no3)C2)c1 ZINC000188065382 823180803 /nfs/dbraw/zinc/18/08/03/823180803.db2.gz RQFCIMBVEXLNSI-INIZCTEOSA-N 1 0 385.414 4.306 20 0 GIADRO COCCNc1ccc(C[NH2+][C@H]2CCc3sc(Br)cc32)cc1 ZINC000571424207 823180871 /nfs/dbraw/zinc/18/08/71/823180871.db2.gz IPQHNEKYFJFRTM-HNNXBMFYSA-N 1 0 381.339 4.346 20 0 GIADRO O=C(Nc1c[nH]nc1[C@@H]1CCC[N@H+](CCOCC2CCCC2)C1)c1ccccc1 ZINC000459389722 823180892 /nfs/dbraw/zinc/18/08/92/823180892.db2.gz AJTQLKXQDFKRIA-HXUWFJFHSA-N 1 0 396.535 4.048 20 0 GIADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)[C@@H](c2ccccc2)C(C)C)c1 ZINC000571426101 823181076 /nfs/dbraw/zinc/18/10/76/823181076.db2.gz GURGOUGHFNBGFZ-JOCHJYFZSA-N 1 0 381.520 4.345 20 0 GIADRO O=C(NCc1ccncc1)Nc1cccc(C[NH2+]Cc2coc3ccccc23)c1 ZINC000121423918 823181923 /nfs/dbraw/zinc/18/19/23/823181923.db2.gz SHKBXGDDXSEBFK-UHFFFAOYSA-N 1 0 386.455 4.439 20 0 GIADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)c1ccc(Br)c(F)c1)c1ccco1 ZINC000571434753 823182325 /nfs/dbraw/zinc/18/23/25/823182325.db2.gz JHSFADGEKSYZOT-NHYWBVRUSA-N 1 0 383.261 4.040 20 0 GIADRO COc1ccc(C[NH2+]Cc2ccccc2N2CCO[C@@H](C)C2)c(C(F)(F)F)c1 ZINC000459397252 823182812 /nfs/dbraw/zinc/18/28/12/823182812.db2.gz JSKKIJLCYRJYKG-HNNXBMFYSA-N 1 0 394.437 4.229 20 0 GIADRO CC(C)Cn1ncc(C(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)c1C(F)F ZINC000571438938 823182913 /nfs/dbraw/zinc/18/29/13/823182913.db2.gz GEBBKTSDSPDUPJ-QGZVFWFLSA-N 1 0 378.467 4.030 20 0 GIADRO CC(C)n1cnnc1-c1ccccc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000176330319 823183757 /nfs/dbraw/zinc/18/37/57/823183757.db2.gz SCAGXPTUTLELPF-MSOLQXFVSA-N 1 0 396.539 4.005 20 0 GIADRO C[C@H]([NH2+]Cc1cc(=O)[nH]c(-c2ccccc2)n1)c1ccc(NC(=O)C2CC2)cc1 ZINC000459400004 823183912 /nfs/dbraw/zinc/18/39/12/823183912.db2.gz VYFFIHFGCDHCNB-HNNXBMFYSA-N 1 0 388.471 4.049 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+]C1CCN(c3cc(C)nc(C)n3)CC1)CCCS2 ZINC000188115100 823188551 /nfs/dbraw/zinc/18/85/51/823188551.db2.gz NQRSTQVLLKQAEN-HXUWFJFHSA-N 1 0 398.576 4.288 20 0 GIADRO COc1ccc(C[C@H]([NH2+]Cc2cnc(C3CC3)nc2)c2ccccc2)cc1OC ZINC000459401139 823184540 /nfs/dbraw/zinc/18/45/40/823184540.db2.gz IHNKKTZETQTBOB-NRFANRHFSA-N 1 0 389.499 4.445 20 0 GIADRO COc1ccc(F)cc1-c1csc(NC(=O)C2CC[NH+](C(C)C)CC2)n1 ZINC000121441367 823185147 /nfs/dbraw/zinc/18/51/47/823185147.db2.gz LCHBHBCPULBCAZ-UHFFFAOYSA-N 1 0 377.485 4.017 20 0 GIADRO CCOc1cc(C[NH2+]CCc2nc(CC)c(C)s2)cc(Br)c1O ZINC000459403970 823185534 /nfs/dbraw/zinc/18/55/34/823185534.db2.gz HAXNZNSXBVHJFY-UHFFFAOYSA-N 1 0 399.354 4.213 20 0 GIADRO CCCC[C@H](NC1CC[NH+](C2CC2)CC1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000459404214 823185619 /nfs/dbraw/zinc/18/56/19/823185619.db2.gz RPJQDWDSWWXNEF-QHCPKHFHSA-N 1 0 398.595 4.001 20 0 GIADRO C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459404745 823185632 /nfs/dbraw/zinc/18/56/32/823185632.db2.gz JIJSZPZUDPWSHF-KRWDZBQOSA-N 1 0 376.504 4.487 20 0 GIADRO CC(C)n1cnnc1-c1ccccc1NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000176337677 823186103 /nfs/dbraw/zinc/18/61/03/823186103.db2.gz VNMHNKWBSAKQNU-UHFFFAOYSA-N 1 0 396.539 4.055 20 0 GIADRO CC1(C)C(=O)N[C@H]1C1CC[NH+](CC/C=C\c2ccc(Br)cc2)CC1 ZINC000571460986 823186175 /nfs/dbraw/zinc/18/61/75/823186175.db2.gz BPWPDULFKNGUDD-AJNOYIKESA-N 1 0 391.353 4.089 20 0 GIADRO COc1ccc([C@H]([NH2+]CCc2cn[nH]c2)c2ccc(C(F)(F)F)cc2)cc1 ZINC000459408635 823186463 /nfs/dbraw/zinc/18/64/63/823186463.db2.gz XGPXTNUKERQZJJ-LJQANCHMSA-N 1 0 375.394 4.359 20 0 GIADRO Cc1cccc(Cl)c1NC(=O)CN[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000571464671 823186504 /nfs/dbraw/zinc/18/65/04/823186504.db2.gz CKOGRIMQXRIHIO-FQEVSTJZSA-N 1 0 399.966 4.477 20 0 GIADRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)N(C)CC[NH+](C)C ZINC000176339964 823186576 /nfs/dbraw/zinc/18/65/76/823186576.db2.gz MZSCXGMTBXGKNE-CYBMUJFWSA-N 1 0 380.945 4.036 20 0 GIADRO O=C(Nc1ccccc1)c1cccc(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000571469164 823187418 /nfs/dbraw/zinc/18/74/18/823187418.db2.gz GHBJGYKKLKMOJG-QFIPXVFZSA-N 1 0 391.515 4.029 20 0 GIADRO Fc1ccc([C@@H](Cn2cnc3ccccc32)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000459413168 823187437 /nfs/dbraw/zinc/18/74/37/823187437.db2.gz SZIFGAXQSPQJQU-JOCHJYFZSA-N 1 0 378.495 4.133 20 0 GIADRO C[C@@H](N(Cc1ccccc1)C(=O)N=c1ccn(C2CC[NH+](C)CC2)[nH]1)C(C)(C)C ZINC000571472987 823188074 /nfs/dbraw/zinc/18/80/74/823188074.db2.gz ZKOZLTIVYVEUKQ-GOSISDBHSA-N 1 0 397.567 4.040 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N(CCC(F)(F)F)CC1CC1 ZINC000176344626 823188126 /nfs/dbraw/zinc/18/81/26/823188126.db2.gz AGOOORXEWVUSIM-MRXNPFEDSA-N 1 0 387.446 4.181 20 0 GIADRO COCc1cc(C[NH2+]CCCCSc2ccccc2Br)no1 ZINC000459418384 823188376 /nfs/dbraw/zinc/18/83/76/823188376.db2.gz VLOHUJWAMWZDSF-UHFFFAOYSA-N 1 0 385.327 4.246 20 0 GIADRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)c1 ZINC000176352112 823189678 /nfs/dbraw/zinc/18/96/78/823189678.db2.gz KLGRSJHIXGPJBY-UHFFFAOYSA-N 1 0 389.499 4.016 20 0 GIADRO COc1ccc([C@@H](OC)[C@@H](C)[NH2+]Cc2c(C)nc3scc(C4CC4)n23)cc1 ZINC000459454841 823195453 /nfs/dbraw/zinc/19/54/53/823195453.db2.gz CGXCNDQUQMMRBC-VLIAUNLRSA-N 1 0 385.533 4.456 20 0 GIADRO FC(F)(F)c1cccc(-n2cc(NC3CCN(c4cc[nH+]cc4)CC3)cn2)c1 ZINC000459427819 823190252 /nfs/dbraw/zinc/19/02/52/823190252.db2.gz AAXOBQBHDNOEAS-UHFFFAOYSA-N 1 0 387.409 4.367 20 0 GIADRO CCC1(CC)Oc2ccc(NC(=O)N3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cc2O1 ZINC000188127754 823190610 /nfs/dbraw/zinc/19/06/10/823190610.db2.gz NZYFVHFDAGENML-LPHOPBHVSA-N 1 0 399.535 4.455 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)Nc2ccccc2OC[C@H]2CCCCO2)c1 ZINC000056656921 823190884 /nfs/dbraw/zinc/19/08/84/823190884.db2.gz CZMOQQJPBVORIE-HXUWFJFHSA-N 1 0 397.519 4.018 20 0 GIADRO Cc1nccn1C[C@@H](C)C[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000121502643 823195975 /nfs/dbraw/zinc/19/59/75/823195975.db2.gz YSUQDMXANNDYLN-GUYCJALGSA-N 1 0 378.314 4.094 20 0 GIADRO Cc1cnc([C@@H](C)NC(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)s1 ZINC000176385396 823195624 /nfs/dbraw/zinc/19/56/24/823195624.db2.gz DLTVADHBNSFTPZ-CVEARBPZSA-N 1 0 392.594 4.346 20 0 GIADRO Cc1cnc([C@H](C)NC(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)s1 ZINC000176385414 823195638 /nfs/dbraw/zinc/19/56/38/823195638.db2.gz DLTVADHBNSFTPZ-HOTGVXAUSA-N 1 0 392.594 4.346 20 0 GIADRO Cc1nc(CC2CC2)sc1C(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000188141671 823192883 /nfs/dbraw/zinc/19/28/83/823192883.db2.gz YHQIMRWILWXTTN-UHFFFAOYSA-N 1 0 383.561 4.141 20 0 GIADRO C[C@@H](NC(=O)NC1CC[NH+](CC2CCCC2)CC1)c1cccc(N2CCCC2)c1 ZINC000176371885 823193129 /nfs/dbraw/zinc/19/31/29/823193129.db2.gz NIGWJATUHMVRJH-LJQANCHMSA-N 1 0 398.595 4.302 20 0 GIADRO C[C@@H](C[NH2+]C1CCN(Cc2cccnc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000188147634 823193767 /nfs/dbraw/zinc/19/37/67/823193767.db2.gz TVOBMTOSIVCRON-INIZCTEOSA-N 1 0 377.454 4.458 20 0 GIADRO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[NH2+]CCn1ccnc1 ZINC000121489654 823193787 /nfs/dbraw/zinc/19/37/87/823193787.db2.gz WZGOCFIQCKSTLZ-UHFFFAOYSA-N 1 0 391.450 4.098 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1ccc(C)c(NC(C)=O)c1C ZINC000056691278 823193925 /nfs/dbraw/zinc/19/39/25/823193925.db2.gz PICDAMLIFFOROD-UHFFFAOYSA-N 1 0 396.535 4.425 20 0 GIADRO CC(=O)Nc1ccc(Cl)c(NC(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000056692214 823194406 /nfs/dbraw/zinc/19/44/06/823194406.db2.gz XERZNMCANMWKSX-HUUCEWRRSA-N 1 0 394.947 4.178 20 0 GIADRO CCOc1cc(C[NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)cc(Br)c1O ZINC000459460269 823196512 /nfs/dbraw/zinc/19/65/12/823196512.db2.gz SINXHVBIVBJUQN-BBRMVZONSA-N 1 0 386.330 4.237 20 0 GIADRO CCOc1cc(C[NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)cc(Br)c1O ZINC000459460278 823196869 /nfs/dbraw/zinc/19/68/69/823196869.db2.gz SINXHVBIVBJUQN-XJKSGUPXSA-N 1 0 386.330 4.237 20 0 GIADRO C[C@@H]1CN(c2ccccc2C[NH2+]C[C@H]2CCCO[C@@H]2c2ccccc2)CCO1 ZINC000459461681 823197282 /nfs/dbraw/zinc/19/72/82/823197282.db2.gz GMLASOWSDOQIMR-ZFJSRUIDSA-N 1 0 380.532 4.169 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)Nc2cc(F)c(OC)c(F)c2)c1 ZINC000056715956 823198319 /nfs/dbraw/zinc/19/83/19/823198319.db2.gz HTHYNHLCQRRIGR-UHFFFAOYSA-N 1 0 377.435 4.137 20 0 GIADRO O=C(Nc1cccc(-c2noc(C3CC3)n2)c1)c1cccc(C[NH+]2CCCC2)c1 ZINC000176395892 823198462 /nfs/dbraw/zinc/19/84/62/823198462.db2.gz XCUCNTLICAQYAL-UHFFFAOYSA-N 1 0 388.471 4.462 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccc(Br)s2)C1)CC(F)(F)F ZINC000176396053 823198487 /nfs/dbraw/zinc/19/84/87/823198487.db2.gz CWVNXRFHOASXAS-NSHDSACASA-N 1 0 385.293 4.217 20 0 GIADRO O=C(c1ccncc1)N1CCC([NH2+][C@H]2CCC[C@H]2CCc2ccccc2)CC1 ZINC000459468924 823198853 /nfs/dbraw/zinc/19/88/53/823198853.db2.gz SGULYQJGIBOHQG-REWPJTCUSA-N 1 0 377.532 4.077 20 0 GIADRO OC[C@H](C[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1)Cc1ccccc1 ZINC000459481555 823201281 /nfs/dbraw/zinc/20/12/81/823201281.db2.gz WTPDEFMQTMIOCW-FQEVSTJZSA-N 1 0 390.531 4.001 20 0 GIADRO CCc1noc(-c2ccc(CC[NH2+][C@@H](c3ncc[nH]3)c3ccc(F)cc3)cc2)n1 ZINC000188181265 823199483 /nfs/dbraw/zinc/19/94/83/823199483.db2.gz WLIVSTVUCJQBLF-HXUWFJFHSA-N 1 0 391.450 4.083 20 0 GIADRO C[C@H](C(=O)N1CCC[C@H](c2nc3ccccc3s2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000571554854 823199819 /nfs/dbraw/zinc/19/98/19/823199819.db2.gz KJLINMFXYFPMBQ-RIFZZMRRSA-N 1 0 379.529 4.338 20 0 GIADRO O=C(Nc1cc(F)ccc1OC(F)F)NC1CC[NH+](C2CCCCC2)CC1 ZINC000121524439 823199933 /nfs/dbraw/zinc/19/99/33/823199933.db2.gz MFBLGUUNOVOOFI-UHFFFAOYSA-N 1 0 385.430 4.346 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ncc(-c3ccc(F)cc3)o2)C1)CC(F)(F)F ZINC000176401244 823200219 /nfs/dbraw/zinc/20/02/19/823200219.db2.gz XMBSBKWVPVYKMQ-CQSZACIVSA-N 1 0 385.405 4.187 20 0 GIADRO O=C1C[C@@H](C[NH2+][C@H](CCCc2ccccc2)c2ccc(F)cc2)CN1C1CC1 ZINC000571529594 823196143 /nfs/dbraw/zinc/19/61/43/823196143.db2.gz OLHRLEQLKAHHJY-WMZHIEFXSA-N 1 0 380.507 4.490 20 0 GIADRO CC(C)C[C@H](C)n1nccc1NC(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000459482262 823201624 /nfs/dbraw/zinc/20/16/24/823201624.db2.gz APIOYQUUIFLLEQ-INIZCTEOSA-N 1 0 377.558 4.147 20 0 GIADRO C(=C/c1ccc(OCc2ccccc2)cc1)\C[NH2+]CCc1cn2c(n1)SCC2 ZINC000459483969 823202148 /nfs/dbraw/zinc/20/21/48/823202148.db2.gz SUDXEUBHJKQKOX-QPJJXVBHSA-N 1 0 391.540 4.413 20 0 GIADRO CCCN(C(=O)NCc1ccn(C(C)C)n1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000571603117 823206493 /nfs/dbraw/zinc/20/64/93/823206493.db2.gz DXVOYATVTICKFL-JOCHJYFZSA-N 1 0 397.567 4.050 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1C[N@@H+]1CC[C@@H](n2cnc3c2CCCC3)C1 ZINC000459488782 823202931 /nfs/dbraw/zinc/20/29/31/823202931.db2.gz JLUKLYAVUODRGN-MRXNPFEDSA-N 1 0 381.549 4.104 20 0 GIADRO O=C(NC[C@H]1CC[C@H](c2ccccc2)O1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000571576806 823203406 /nfs/dbraw/zinc/20/34/06/823203406.db2.gz KABHSXCCYZNIRE-YMPZKCBVSA-N 1 0 396.506 4.074 20 0 GIADRO C[C@@H](Nc1cccc(CC[N@H+](C)C2CC2)c1)C(=O)N1c2ccccc2C[C@H]1C ZINC000571589467 823204219 /nfs/dbraw/zinc/20/42/19/823204219.db2.gz JANPMKGLCBSILX-QZTJIDSGSA-N 1 0 377.532 4.102 20 0 GIADRO C[C@@H]1CN(c2ccccc2C[NH2+]C[C@@H](c2ccccc2)C(F)(F)F)CCO1 ZINC000459507498 823206686 /nfs/dbraw/zinc/20/66/86/823206686.db2.gz VWOUJFFPMFSMKK-APWZRJJASA-N 1 0 378.438 4.347 20 0 GIADRO Brc1ccc(Br)c(CNCc2cnc(C3CC3)nc2)c1 ZINC000459497388 823204551 /nfs/dbraw/zinc/20/45/51/823204551.db2.gz IZVCNHCMRLWWJI-UHFFFAOYSA-N 1 0 397.114 4.169 20 0 GIADRO C[NH+](C)CCN(C(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1)C1CCCC1 ZINC000176420089 823204578 /nfs/dbraw/zinc/20/45/78/823204578.db2.gz VENJGIAJVLKSBN-HHHXNRCGSA-N 1 0 393.597 4.072 20 0 GIADRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2csc(-c3ccccc3Cl)n2)C[C@@H](C)C1 ZINC000571591317 823204654 /nfs/dbraw/zinc/20/46/54/823204654.db2.gz VSTLBFILZBIXOA-PMUMKWKESA-N 1 0 389.952 4.266 20 0 GIADRO O=C(Nc1cccc(N2CCCCC2)c1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000056741603 823204678 /nfs/dbraw/zinc/20/46/78/823204678.db2.gz GRACNVGYHCBBMH-UHFFFAOYSA-N 1 0 392.547 4.417 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)c2cccc(-n3ccc(C(F)(F)F)n3)c2)c1 ZINC000121554576 823204791 /nfs/dbraw/zinc/20/47/91/823204791.db2.gz SPGBYUNMECBKOR-UHFFFAOYSA-N 1 0 388.393 4.205 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2C[C@H]2c2cc(OC)ccc2OC)c1 ZINC000188217984 823204822 /nfs/dbraw/zinc/20/48/22/823204822.db2.gz QHIUHOSBXOAVRX-PZJWPPBQSA-N 1 0 382.504 4.288 20 0 GIADRO COCCOCc1ccc(C[NH2+]C2(c3ccc4c(c3)OCCO4)CCCC2)cc1 ZINC000571595683 823205268 /nfs/dbraw/zinc/20/52/68/823205268.db2.gz BDOGLKNSBFGTES-UHFFFAOYSA-N 1 0 397.515 4.180 20 0 GIADRO Cc1ccc(N2CCC([NH2+][C@H](C)Cc3ccc(Br)cc3)CC2)nc1 ZINC000188220779 823205426 /nfs/dbraw/zinc/20/54/26/823205426.db2.gz KISCPVKESXNEMD-MRXNPFEDSA-N 1 0 388.353 4.342 20 0 GIADRO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)cc1 ZINC000571597751 823205514 /nfs/dbraw/zinc/20/55/14/823205514.db2.gz JRROEEIXXURZGS-IIBYNOLFSA-N 1 0 382.529 4.306 20 0 GIADRO C[C@H](Cc1cccc(O)c1)[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000571597874 823205571 /nfs/dbraw/zinc/20/55/71/823205571.db2.gz KWBZHGWXVQCNQZ-GFCCVEGCSA-N 1 0 377.275 4.001 20 0 GIADRO CCOc1cc(C[NH2+]C[C@]2(O)CCC[C@@H](C(F)(F)F)C2)cc(Cl)c1O ZINC000459503754 823206156 /nfs/dbraw/zinc/20/61/56/823206156.db2.gz FSQPFNMGNQUFKU-WBMJQRKESA-N 1 0 381.822 4.018 20 0 GIADRO C[C@H](O)C[C@H](C[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000121561933 823206202 /nfs/dbraw/zinc/20/62/02/823206202.db2.gz LIIHLULSYFRWET-GHTZIAJQSA-N 1 0 386.967 4.449 20 0 GIADRO CN1CC[C@@H]([NH2+]Cc2ncc(-c3ccccc3F)o2)[C@@H]1c1ccc(F)c(F)c1 ZINC000571604529 823207041 /nfs/dbraw/zinc/20/70/41/823207041.db2.gz URLPVBGKEVADDU-NQIIRXRSSA-N 1 0 387.405 4.294 20 0 GIADRO CCCOc1ccc(NC(=O)NCC2(SC)CC[NH+](C)CC2)cc1Cl ZINC000571605061 823207233 /nfs/dbraw/zinc/20/72/33/823207233.db2.gz VTILTKAZYUHELF-UHFFFAOYSA-N 1 0 385.961 4.078 20 0 GIADRO COc1cc(C[N@@H+]2CC[C@H](n3cc(C)cn3)C2)ccc1OCc1cccs1 ZINC000571608255 823207781 /nfs/dbraw/zinc/20/77/81/823207781.db2.gz XNAWSMVFVQEHOK-SFHVURJKSA-N 1 0 383.517 4.288 20 0 GIADRO FC(F)(F)COc1cc(NCc2ccc(OC[C@H]3CCCO3)cc2)ccn1 ZINC000571608879 823208245 /nfs/dbraw/zinc/20/82/45/823208245.db2.gz FFIYLSAUFBIGGK-QGZVFWFLSA-N 1 0 382.382 4.193 20 0 GIADRO O[C@@H](C[NH2+]C[C@@H](c1cccs1)N1CCCC1)Cc1ccc2ccccc2c1 ZINC000571630889 823212199 /nfs/dbraw/zinc/21/21/99/823212199.db2.gz IFOXRMSQVORDCZ-YADHBBJMSA-N 1 0 380.557 4.231 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1C[NH2+]C[C@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000459515582 823208924 /nfs/dbraw/zinc/20/89/24/823208924.db2.gz PKCYXANZMTWFFA-DYVFJYSZSA-N 1 0 387.471 4.155 20 0 GIADRO COc1ccc([C@H](C)[NH2+]Cc2cc(=O)[nH]c(-c3ccccc3)n2)c(C)c1OC ZINC000459516942 823209238 /nfs/dbraw/zinc/20/92/38/823209238.db2.gz DZJQIAIHSFGLPQ-HNNXBMFYSA-N 1 0 379.460 4.026 20 0 GIADRO C[C@H](NC(=O)C[NH+]1CCC2(CC1)OCCc1ccccc12)c1ccc(Cl)cc1 ZINC000459519584 823210067 /nfs/dbraw/zinc/21/00/67/823210067.db2.gz YOPYZWRSWRZFRR-KRWDZBQOSA-N 1 0 398.934 4.081 20 0 GIADRO CCOc1ccccc1Oc1ccccc1C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000176453276 823210838 /nfs/dbraw/zinc/21/08/38/823210838.db2.gz NMIFBCMVQSNVRG-IBGZPJMESA-N 1 0 394.515 4.436 20 0 GIADRO CSc1cccc(NC(=O)[C@H](C)[NH+]2CCC3(CC2)OCCc2ccccc23)c1 ZINC000459525602 823211649 /nfs/dbraw/zinc/21/16/49/823211649.db2.gz ODCVFHXKISDYMB-KRWDZBQOSA-N 1 0 396.556 4.300 20 0 GIADRO c1ccc(-c2noc(CCC[NH+]3CCC4(CC3)OCCc3ccccc34)n2)cc1 ZINC000459525723 823211670 /nfs/dbraw/zinc/21/16/70/823211670.db2.gz OKMIMIDHQKDELP-UHFFFAOYSA-N 1 0 389.499 4.233 20 0 GIADRO C[NH+](C)CCOc1cccc(CNC(=O)Nc2cccc(-c3nccs3)c2)c1 ZINC000056776771 823211730 /nfs/dbraw/zinc/21/17/30/823211730.db2.gz JMGCOKOTZWOZIM-UHFFFAOYSA-N 1 0 396.516 4.072 20 0 GIADRO Cc1ccc2nc(COc3cccc(-c4nc([C@@H]([NH3+])CC(C)C)no4)c3)cn2c1 ZINC000571680256 823217876 /nfs/dbraw/zinc/21/78/76/823217876.db2.gz ROLNKQDUIDUDRF-IBGZPJMESA-N 1 0 391.475 4.318 20 0 GIADRO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000459532560 823213311 /nfs/dbraw/zinc/21/33/11/823213311.db2.gz UKCGCUFQYBLTRI-PMACEKPBSA-N 1 0 392.543 4.125 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(-c3nncs3)cc2)C1 ZINC000459548960 823217893 /nfs/dbraw/zinc/21/78/93/823217893.db2.gz ZOCINOQXCVWGIH-DNVCBOLYSA-N 1 0 393.516 4.162 20 0 GIADRO Cc1cnc([C@@H](C)NC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)s1 ZINC000176465400 823213447 /nfs/dbraw/zinc/21/34/47/823213447.db2.gz HHXTUWHZCTWYHN-QGZVFWFLSA-N 1 0 386.565 4.388 20 0 GIADRO Cc1cnc([C@H](C)NC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)s1 ZINC000176465413 823213504 /nfs/dbraw/zinc/21/35/04/823213504.db2.gz HHXTUWHZCTWYHN-KRWDZBQOSA-N 1 0 386.565 4.388 20 0 GIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2ccc(-c3csnn3)cc2)C1 ZINC000056789034 823213900 /nfs/dbraw/zinc/21/39/00/823213900.db2.gz HWUNZHNTNVPDKG-KXBFYZLASA-N 1 0 393.516 4.162 20 0 GIADRO Cc1noc(C)c1CCC(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000571644727 823213964 /nfs/dbraw/zinc/21/39/64/823213964.db2.gz SNBDCHBBPJNKJR-UHFFFAOYSA-N 1 0 387.549 4.441 20 0 GIADRO Clc1cc(Br)ccc1C[NH2+]Cc1cccc(N2CCOCC2)c1 ZINC000571650598 823214600 /nfs/dbraw/zinc/21/46/00/823214600.db2.gz HCQXMKMODYGJPV-UHFFFAOYSA-N 1 0 395.728 4.229 20 0 GIADRO OCC1([C@H]([NH2+]Cc2cncn2Cc2ccccc2)c2ccccc2)CCCC1 ZINC000459539504 823215759 /nfs/dbraw/zinc/21/57/59/823215759.db2.gz KEIINNFZESICOC-HSZRJFAPSA-N 1 0 375.516 4.315 20 0 GIADRO COCC(C)(C)CCCNC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000571668799 823216747 /nfs/dbraw/zinc/21/67/47/823216747.db2.gz WSZWTHFAVDZPKU-IBGZPJMESA-N 1 0 395.975 4.229 20 0 GIADRO O=C(CC[NH2+][C@H]1CCO[C@@H](c2ccc(F)cc2)C1)Nc1cccc(Cl)c1 ZINC000571671564 823217054 /nfs/dbraw/zinc/21/70/54/823217054.db2.gz ATFLUFMYSYBNEE-PKOBYXMFSA-N 1 0 376.859 4.318 20 0 GIADRO C[NH+](C)C[C@@H](NCc1cccc(O)c1Br)c1ccc(Cl)cc1 ZINC000459545834 823217069 /nfs/dbraw/zinc/21/70/69/823217069.db2.gz PSBXJLIIJPBYAN-OAHLLOKOSA-N 1 0 383.717 4.201 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1CN(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000459551345 823218344 /nfs/dbraw/zinc/21/83/44/823218344.db2.gz NRIZMAIQUPFDAH-UHFFFAOYSA-N 1 0 384.549 4.271 20 0 GIADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000176491413 823219835 /nfs/dbraw/zinc/21/98/35/823219835.db2.gz XYDWOUZZDMGXAA-HXUWFJFHSA-N 1 0 399.535 4.059 20 0 GIADRO C[C@@H]1CN(c2ccccc2C[NH2+]C[C@H](Cc2ccccc2)C(F)(F)F)CCO1 ZINC000459556064 823219893 /nfs/dbraw/zinc/21/98/93/823219893.db2.gz AVKDWWVHYAUKKR-XLIONFOSSA-N 1 0 392.465 4.423 20 0 GIADRO COc1cccc(OC)c1OC[C@@H](O)C[N@@H+]1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000459573517 823223000 /nfs/dbraw/zinc/22/30/00/823223000.db2.gz RBEAPWITXLVCQA-CVDCTZTESA-N 1 0 397.515 4.061 20 0 GIADRO CN(Cc1ccccc1N1CCCC1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176495037 823220698 /nfs/dbraw/zinc/22/06/98/823220698.db2.gz MPWYZBVHYHGTAN-UHFFFAOYSA-N 1 0 398.595 4.225 20 0 GIADRO C[C@H](c1cc(F)ccc1F)N(C)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176494460 823220813 /nfs/dbraw/zinc/22/08/13/823220813.db2.gz WRFWVPHFCMMQPA-OAHLLOKOSA-N 1 0 379.495 4.464 20 0 GIADRO CC1(C)C[N@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)[C@@H]1[C@@H]1CCCO1 ZINC000459562880 823220926 /nfs/dbraw/zinc/22/09/26/823220926.db2.gz NQVOJUFHAVCFHC-RBBKRZOGSA-N 1 0 380.536 4.450 20 0 GIADRO Cc1cc(C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)sc1-c1ccccc1 ZINC000571698549 823220927 /nfs/dbraw/zinc/22/09/27/823220927.db2.gz RPCQQEHQESRLSB-GBESFXJTSA-N 1 0 384.545 4.047 20 0 GIADRO O=C(NC[C@H]1CCC[N@H+](Cn2ccc(=S)c3ccccc32)C1)c1ccccc1 ZINC000176496089 823221155 /nfs/dbraw/zinc/22/11/55/823221155.db2.gz QOOJLDAUUATGBU-GOSISDBHSA-N 1 0 391.540 4.470 20 0 GIADRO COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H](C)c2ccc(Cl)cc2)c(OC)c1 ZINC000121643172 823221377 /nfs/dbraw/zinc/22/13/77/823221377.db2.gz FAZWRZHZAGVORY-KGLIPLIRSA-N 1 0 376.884 4.425 20 0 GIADRO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H](C)c2ccc(Cl)cc2)c(OC)c1 ZINC000121643291 823221427 /nfs/dbraw/zinc/22/14/27/823221427.db2.gz FAZWRZHZAGVORY-UONOGXRCSA-N 1 0 376.884 4.425 20 0 GIADRO CCCc1c(C(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)[nH]c(C)c1C(C)=O ZINC000409453379 823222276 /nfs/dbraw/zinc/22/22/76/823222276.db2.gz OARPJPIHZNEWDE-APWZRJJASA-N 1 0 381.520 4.044 20 0 GIADRO CC(C)(C)CNC(=O)C(C)(C)[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000571689715 823219167 /nfs/dbraw/zinc/21/91/67/823219167.db2.gz WLLDFDUEUYUVAQ-UHFFFAOYSA-N 1 0 379.957 4.494 20 0 GIADRO CC(C)Oc1ccc(NC(=O)CC2([NH+]3CCOCC3)CCCC2)c(Cl)c1 ZINC000188321943 823219369 /nfs/dbraw/zinc/21/93/69/823219369.db2.gz AGQRMLUFHXKAJA-UHFFFAOYSA-N 1 0 380.916 4.101 20 0 GIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Cn2ccc3ccc(Cl)cc32)C1 ZINC000409458056 823223686 /nfs/dbraw/zinc/22/36/86/823223686.db2.gz YUQGLGCKGRLTNF-JXFKEZNVSA-N 1 0 381.907 4.246 20 0 GIADRO CCOc1cc(C[N@@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)cc(Cl)c1O ZINC000459575110 823223891 /nfs/dbraw/zinc/22/38/91/823223891.db2.gz ZALUAINFSNYELK-OAQYLSRUSA-N 1 0 393.886 4.011 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)[C@@H]2CCc3[nH]nc(C(F)(F)F)c3C2)cc1 ZINC000188349451 823223943 /nfs/dbraw/zinc/22/39/43/823223943.db2.gz FAJOCWIHFFPLPC-CQSZACIVSA-N 1 0 394.441 4.014 20 0 GIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cccn2Cc2cccs2)C1 ZINC000409460505 823224392 /nfs/dbraw/zinc/22/43/92/823224392.db2.gz TWEJHCBVKZDOMM-PKOBYXMFSA-N 1 0 379.529 4.163 20 0 GIADRO COc1ccc(-c2ccccc2C)cc1C[N@@H+]1C[C@H](O)C[C@H]1[C@@H]1CCCOC1 ZINC000459580326 823224760 /nfs/dbraw/zinc/22/47/60/823224760.db2.gz PDMXSXZIBQBXQQ-LSWJPFSZSA-N 1 0 381.516 4.032 20 0 GIADRO OC[C@@H](C[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1)C1CCCCC1 ZINC000459581313 823225033 /nfs/dbraw/zinc/22/50/33/823225033.db2.gz BVTAUTVIEBZRDU-HXUWFJFHSA-N 1 0 382.552 4.339 20 0 GIADRO C[N@H+](Cc1cn(C2CCCC2)nc1-c1ccccn1)[C@H](CO)c1ccccc1 ZINC000459583067 823225325 /nfs/dbraw/zinc/22/53/25/823225325.db2.gz SDNDXSUWTARCJM-JOCHJYFZSA-N 1 0 376.504 4.226 20 0 GIADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@H](C)c2ccccc2OC(C)C)o1 ZINC000056867041 823225531 /nfs/dbraw/zinc/22/55/31/823225531.db2.gz SBHJBZTXMPWSRQ-GOSISDBHSA-N 1 0 387.524 4.210 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)[C@@]23CCC(=O)N2c2ccccc2S3)cc1 ZINC000188362568 823226163 /nfs/dbraw/zinc/22/61/63/823226163.db2.gz OUXFXZZFAIPVKR-QFIPXVFZSA-N 1 0 395.528 4.096 20 0 GIADRO CC(C)(C)[C@@H]([NH2+][C@H]1CC[C@](C)(c2ccccc2)C1)c1nc(-c2nc[nH]n2)no1 ZINC000188363734 823226281 /nfs/dbraw/zinc/22/62/81/823226281.db2.gz YWTOBOVEGHRGTP-QYWGDWMGSA-N 1 0 380.496 4.042 20 0 GIADRO CC1CC[NH+](Cc2ccc(NC(=O)CCCNC(=O)[C@@H]3CC=CCC3)cc2)CC1 ZINC000409467319 823227085 /nfs/dbraw/zinc/22/70/85/823227085.db2.gz ZDKLNKLLRZYHTK-OAQYLSRUSA-N 1 0 397.563 4.110 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)[C@H](O)Cc2cccc(C(F)(F)F)c2)cc1 ZINC000188377907 823229576 /nfs/dbraw/zinc/22/95/76/823229576.db2.gz ZQLTVIUBEWAERC-LJQANCHMSA-N 1 0 394.437 4.089 20 0 GIADRO CC(C)(C)[NH+]1CCC(NC(=O)C(C)(C)c2ccccc2Br)CC1 ZINC000409477916 823229851 /nfs/dbraw/zinc/22/98/51/823229851.db2.gz KTZODSVVEGSOOU-UHFFFAOYSA-N 1 0 381.358 4.106 20 0 GIADRO CC(C)(O)C1C[NH+](Cc2cn(Cc3ccccc3Cl)nc2-c2ccccc2)C1 ZINC000459616915 823230040 /nfs/dbraw/zinc/23/00/40/823230040.db2.gz ZMZCKMCNWAWYQD-UHFFFAOYSA-N 1 0 395.934 4.455 20 0 GIADRO O=C(Nc1cccc2c1CC[NH2+]C2)NC1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000571772389 823232895 /nfs/dbraw/zinc/23/28/95/823232895.db2.gz QMZCUMLRMVWUKA-UHFFFAOYSA-N 1 0 376.287 4.450 20 0 GIADRO CCOCC[C@@H](O)C[NH2+][C@H](c1ccc(OC)cc1C)c1ccccc1Cl ZINC000571755048 823230616 /nfs/dbraw/zinc/23/06/16/823230616.db2.gz SRFMVVVZVFTHIE-IIBYNOLFSA-N 1 0 377.912 4.124 20 0 GIADRO C[C@@H](NC(=O)c1oc2ccccc2c1C[NH+](C)C)c1ccccc1-n1cccn1 ZINC000121688332 823230832 /nfs/dbraw/zinc/23/08/32/823230832.db2.gz OYXOWYWZELHWCA-MRXNPFEDSA-N 1 0 388.471 4.171 20 0 GIADRO CC(C)Oc1ccccc1C[N@H+](CCC(=O)OC(C)(C)C)C1CCOCC1 ZINC000571757615 823231051 /nfs/dbraw/zinc/23/10/51/823231051.db2.gz BUOXTAVWYXOQSS-UHFFFAOYSA-N 1 0 377.525 4.187 20 0 GIADRO O=C(N[C@H](c1cccc(Cl)c1)c1ccccn1)N1CC[NH+](C2CCCC2)CC1 ZINC000121693371 823231435 /nfs/dbraw/zinc/23/14/35/823231435.db2.gz LELREHVYDZKSIV-OAQYLSRUSA-N 1 0 398.938 4.094 20 0 GIADRO C[C@@H](NC(=O)[C@H](C)[NH2+][C@@H](C)c1cncc(F)c1)c1ccc(Cl)cc1Cl ZINC000459624246 823231668 /nfs/dbraw/zinc/23/16/68/823231668.db2.gz SLEPMCMHRFWPOJ-TUAOUCFPSA-N 1 0 384.282 4.444 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)N(Cc1ccco1)Cc1ccco1)c1ccc(F)cc1 ZINC000056937796 823233078 /nfs/dbraw/zinc/23/30/78/823233078.db2.gz LPZYPPWQIIOSQK-HXUWFJFHSA-N 1 0 385.439 4.026 20 0 GIADRO C[NH+](C)Cc1ccccc1NC(=O)[C@@H]1CC(c2ccc(Cl)cc2Cl)=NO1 ZINC000056930739 823232296 /nfs/dbraw/zinc/23/22/96/823232296.db2.gz MQZQJRYQGAUKAQ-SFHVURJKSA-N 1 0 392.286 4.187 20 0 GIADRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1cccs1)c1ncc(-c2ccccc2)o1 ZINC000176540858 823232643 /nfs/dbraw/zinc/23/26/43/823232643.db2.gz VNBHZUZYYFVMKE-MRXNPFEDSA-N 1 0 398.532 4.238 20 0 GIADRO O=C(CC1CC(c2ccccc2)C1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000409473125 823228558 /nfs/dbraw/zinc/22/85/58/823228558.db2.gz ASKLRLCDBLUWIV-UHFFFAOYSA-N 1 0 380.507 4.490 20 0 GIADRO COc1ccc(-c2ccc(CNC(=O)N(C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)s2)cc1 ZINC000176522890 823228648 /nfs/dbraw/zinc/22/86/48/823228648.db2.gz UPSGAECPDPABAJ-DOTOQJQBSA-N 1 0 387.549 4.048 20 0 GIADRO CC(C)(C)CC(=O)N1CCC([NH2+]CCc2cccc(Br)c2)CC1 ZINC000459632413 823233357 /nfs/dbraw/zinc/23/33/57/823233357.db2.gz CSTGRDIVAKKXGC-UHFFFAOYSA-N 1 0 381.358 4.008 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)/C=C(/c2ccc(Cl)cc2)C(F)(F)F)C1 ZINC000121704091 823233791 /nfs/dbraw/zinc/23/37/91/823233791.db2.gz LYLVXFBIPQVIBQ-RQNDZEIBSA-N 1 0 388.861 4.476 20 0 GIADRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)c1scnc1C(C)(C)C)c1ccccc1O2 ZINC000176546582 823234206 /nfs/dbraw/zinc/23/42/06/823234206.db2.gz FANRJARAWBEPHY-MRXNPFEDSA-N 1 0 399.560 4.159 20 0 GIADRO CC(=O)Nc1cccc(C(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)c1C ZINC000188401044 823234302 /nfs/dbraw/zinc/23/43/02/823234302.db2.gz NDARIJYQIXXFQZ-SFHVURJKSA-N 1 0 393.531 4.347 20 0 GIADRO COc1ccc(C[C@H](C)C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)cc1 ZINC000121705729 823234558 /nfs/dbraw/zinc/23/45/58/823234558.db2.gz FCYVEVRZTJBIBR-KRWDZBQOSA-N 1 0 384.545 4.061 20 0 GIADRO CC(=O)c1ccc(-c2ccc(C(=O)NCC3([NH3+])C4CC5CC(C4)CC3C5)o2)cc1 ZINC000571799076 823235994 /nfs/dbraw/zinc/23/59/94/823235994.db2.gz CZMUBKSLEHPCRO-UHFFFAOYSA-N 1 0 392.499 4.033 20 0 GIADRO COC(=O)c1cccc(-c2nc(C[NH2+][C@H](C)CCCc3cccnc3)cs2)c1 ZINC000459642825 823236335 /nfs/dbraw/zinc/23/63/35/823236335.db2.gz NULMFGXWYXAJCP-MRXNPFEDSA-N 1 0 395.528 4.493 20 0 GIADRO COc1cc2c(c(C[N@@H+]3CC[C@@H](C(F)(F)F)C4(CCOCC4)C3)c1)O[C@H](C)C2 ZINC000459644695 823236977 /nfs/dbraw/zinc/23/69/77/823236977.db2.gz FPBPNJZPAVUCRY-RDTXWAMCSA-N 1 0 399.453 4.200 20 0 GIADRO C[C@@H](CCCc1cccnc1)[NH2+][C@@H](C)C(=O)Nc1nc2ccc(F)cc2s1 ZINC000459645279 823237067 /nfs/dbraw/zinc/23/70/67/823237067.db2.gz QKZUYBLTZZHVQB-KBPBESRZSA-N 1 0 386.496 4.158 20 0 GIADRO COCC[NH+]1CCC(NC(=O)Nc2ccc(Oc3cc(C)cc(C)c3)cc2)CC1 ZINC000409510013 823237186 /nfs/dbraw/zinc/23/71/86/823237186.db2.gz LHIJSGNGEHUQJU-UHFFFAOYSA-N 1 0 397.519 4.328 20 0 GIADRO CC(C)(Cc1cccc(Cl)c1)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000176560838 823237252 /nfs/dbraw/zinc/23/72/52/823237252.db2.gz QTVUTRJNSIGGPN-UHFFFAOYSA-N 1 0 385.939 4.085 20 0 GIADRO C[C@@H](NC(=O)C[NH2+][C@@H](C)CCCc1cccnc1)c1cccc2ccccc21 ZINC000459650388 823238883 /nfs/dbraw/zinc/23/88/83/823238883.db2.gz XTNFVYAZILMRPU-RBUKOAKNSA-N 1 0 375.516 4.413 20 0 GIADRO Fc1ccc(-n2cc(C[N@@H+]3CC[C@H](C(F)(F)F)C4(CCOCC4)C3)cn2)cc1 ZINC000459653283 823239897 /nfs/dbraw/zinc/23/98/97/823239897.db2.gz RCPYCOAJJKPCET-SFHVURJKSA-N 1 0 397.416 4.192 20 0 GIADRO COc1ccc2c(c1)CCC[C@@H]2CC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000057042759 823242562 /nfs/dbraw/zinc/24/25/62/823242562.db2.gz JFQJYPRXRNCJSF-OAQYLSRUSA-N 1 0 392.543 4.286 20 0 GIADRO FC(F)(F)[C@H]1CC[N@H+](Cc2cnc([C@@H]3CCCO3)s2)CC12CCOCC2 ZINC000459652847 823240066 /nfs/dbraw/zinc/24/00/66/823240066.db2.gz QXHVNCFVEPAJNR-GJZGRUSLSA-N 1 0 390.471 4.176 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cnn(-c3ccccc3C)c2C(C)C)C1 ZINC000188433454 823240356 /nfs/dbraw/zinc/24/03/56/823240356.db2.gz BVWCANVKMBBULD-IBGZPJMESA-N 1 0 382.552 4.108 20 0 GIADRO COc1ccc(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1SC ZINC000459657156 823241666 /nfs/dbraw/zinc/24/16/66/823241666.db2.gz FGJPNGOVWXNHIV-YJBOKZPZSA-N 1 0 385.533 4.059 20 0 GIADRO COc1ccc(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1SC ZINC000459657152 823241830 /nfs/dbraw/zinc/24/18/30/823241830.db2.gz FGJPNGOVWXNHIV-MAUKXSAKSA-N 1 0 385.533 4.059 20 0 GIADRO C[C@H]1C[C@@H](NC(=O)c2nc(Cl)ccc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000176583440 823241989 /nfs/dbraw/zinc/24/19/89/823241989.db2.gz GLRUPOHBZYTSNW-ZFWWWQNUSA-N 1 0 378.303 4.171 20 0 GIADRO O=C(Nc1cc(C(F)(F)F)ccc1Cl)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000409528346 823242067 /nfs/dbraw/zinc/24/20/67/823242067.db2.gz HBHUILAWXFXOAW-CYBMUJFWSA-N 1 0 375.822 4.451 20 0 GIADRO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@@H](C)c1nc2c(s1)CCC2 ZINC000459657862 823242138 /nfs/dbraw/zinc/24/21/38/823242138.db2.gz XNVLGZVNPZKGRV-KGLIPLIRSA-N 1 0 391.968 4.373 20 0 GIADRO CCOc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)cc1OC ZINC000459647018 823237865 /nfs/dbraw/zinc/23/78/65/823237865.db2.gz JMGZMMNYBNOUQG-GOSISDBHSA-N 1 0 387.442 4.275 20 0 GIADRO FC(F)(F)[C@@H]1CCN(Cc2ccc(Br)cn2)CC12CCOCC2 ZINC000459661636 823243793 /nfs/dbraw/zinc/24/37/93/823243793.db2.gz MULBVRQTIXUJLO-CQSZACIVSA-N 1 0 393.247 4.025 20 0 GIADRO Cc1cnn([C@@H]2CC[N@H+](Cc3c(C)nn(Cc4ccc(Cl)cc4)c3C)C2)c1 ZINC000571843832 823244043 /nfs/dbraw/zinc/24/40/43/823244043.db2.gz NPOKVXHJMOGOQJ-HXUWFJFHSA-N 1 0 383.927 4.154 20 0 GIADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(-c3ccccn3)cc2)[C@@H](C)C1 ZINC000571844180 823244074 /nfs/dbraw/zinc/24/40/74/823244074.db2.gz DZINQDHYDXEWHB-RXVVDRJESA-N 1 0 396.535 4.007 20 0 GIADRO COc1ccc(NC(=O)NCc2ccccc2C[NH+]2CCCC2)cc1SC ZINC000459663868 823244986 /nfs/dbraw/zinc/24/49/86/823244986.db2.gz YZIFVYDVSHLBJJ-UHFFFAOYSA-N 1 0 385.533 4.335 20 0 GIADRO C[C@@H](NC(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1ccc(-c2cccnc2)cc1 ZINC000176600391 823245589 /nfs/dbraw/zinc/24/55/89/823245589.db2.gz SWNJZKTXESOGCM-LJQANCHMSA-N 1 0 392.547 4.470 20 0 GIADRO COC[C@@H]([NH2+][C@H]1CCCc2sc(-c3ccc(F)cc3)nc21)C1CCOCC1 ZINC000188475786 823246545 /nfs/dbraw/zinc/24/65/45/823246545.db2.gz NJJBGTQBVMQOLB-ZWKOTPCHSA-N 1 0 390.524 4.358 20 0 GIADRO Fc1ccc(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)c(C(F)(F)F)c1 ZINC000121792543 823252386 /nfs/dbraw/zinc/25/23/86/823252386.db2.gz OYHFIVVZAKYJST-AWEZNQCLSA-N 1 0 378.373 4.267 20 0 GIADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NCC[C@H]2CCc3ccccc32)CC1 ZINC000571873394 823248365 /nfs/dbraw/zinc/24/83/65/823248365.db2.gz WVEZUCKBBUYFDI-WIYYLYMNSA-N 1 0 392.547 4.026 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc3cc[nH]c(=O)c3c2)[C@@H]1c1cccs1 ZINC000571876402 823249088 /nfs/dbraw/zinc/24/90/88/823249088.db2.gz RVKWOZYSEXXHSZ-DNVCBOLYSA-N 1 0 396.516 4.207 20 0 GIADRO CCc1nc(C)c([C@H](C)N(C)C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)s1 ZINC000176617778 823250167 /nfs/dbraw/zinc/25/01/67/823250167.db2.gz XOFWHBUAXGKDIE-WBVHZDCISA-N 1 0 388.581 4.237 20 0 GIADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1 ZINC000121782437 823250303 /nfs/dbraw/zinc/25/03/03/823250303.db2.gz WHKDPRAVZVWNDN-ZUZCIYMTSA-N 1 0 384.332 4.459 20 0 GIADRO CC(C)OCC[NH+]1CCC(NC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000176621949 823250804 /nfs/dbraw/zinc/25/08/04/823250804.db2.gz FNLXDLHTAZZYRG-FQEVSTJZSA-N 1 0 393.959 4.076 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)c2ncoc2-c2ccccc2Cl)cc1F ZINC000121786882 823251129 /nfs/dbraw/zinc/25/11/29/823251129.db2.gz UNERSLAVPLDOCR-UHFFFAOYSA-N 1 0 387.842 4.126 20 0 GIADRO CCSCC[C@H](C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000176623645 823251426 /nfs/dbraw/zinc/25/14/26/823251426.db2.gz IUTITGKROTYYMD-OHSMVPPVSA-N 1 0 375.582 4.013 20 0 GIADRO CC(C)n1cncc1C[NH2+]C1(c2cccc(Br)c2)CCOCC1 ZINC000571909604 823252715 /nfs/dbraw/zinc/25/27/15/823252715.db2.gz ZCZWIXAYFHRGLE-UHFFFAOYSA-N 1 0 378.314 4.022 20 0 GIADRO COc1cc(C[NH2+]C2CCC(OC)CC2)cc(OC)c1OCc1ccccc1 ZINC000459691903 823251584 /nfs/dbraw/zinc/25/15/84/823251584.db2.gz VCOCQBAMPTUEHT-UHFFFAOYSA-N 1 0 385.504 4.330 20 0 GIADRO CCc1c(NC(=O)c2ccc(C[NH+]3CCSCC3)cc2)onc1C(F)(F)F ZINC000571910120 823252781 /nfs/dbraw/zinc/25/27/81/823252781.db2.gz YLWMAVJORZFTOT-UHFFFAOYSA-N 1 0 399.438 4.057 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)N[C@@H](CC(F)(F)F)c2ccccc2)CC1 ZINC000057129525 823252312 /nfs/dbraw/zinc/25/23/12/823252312.db2.gz KEQYZZSWSZKAHE-SFHVURJKSA-N 1 0 385.474 4.442 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)N[C@@H](CC(F)(F)F)c1ccccc1)c1cccs1 ZINC000057131377 823253324 /nfs/dbraw/zinc/25/33/24/823253324.db2.gz NHZJAZXJMZPYJK-GJZGRUSLSA-N 1 0 385.455 4.344 20 0 GIADRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)Cc1nc(-c2ccccc2)oc1C)c1ccco1 ZINC000571914105 823253294 /nfs/dbraw/zinc/25/32/94/823253294.db2.gz QPUUGORPIIPZFO-BEFAXECRSA-N 1 0 381.476 4.031 20 0 GIADRO C[C@@H](CN(C)C)[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000571917149 823253620 /nfs/dbraw/zinc/25/36/20/823253620.db2.gz OALPSQFTQYGSEH-ZDUSSCGKSA-N 1 0 380.319 4.285 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000121798343 823253655 /nfs/dbraw/zinc/25/36/55/823253655.db2.gz XKSKPZLTZDLDOF-HOTGVXAUSA-N 1 0 393.487 4.404 20 0 GIADRO COc1cc(NC(=O)N(CC[NH+](C)C)Cc2cccs2)cc(OC)c1Cl ZINC000459704001 823253763 /nfs/dbraw/zinc/25/37/63/823253763.db2.gz LWQFQTXYMFMZIR-UHFFFAOYSA-N 1 0 397.928 4.014 20 0 GIADRO CC(C)(C)c1ccc(SCC(=O)NC2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000057167197 823257705 /nfs/dbraw/zinc/25/77/05/823257705.db2.gz QEQDBRQCRNYWFB-UHFFFAOYSA-N 1 0 397.588 4.252 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1ccccc1Oc1ccccc1 ZINC000057166804 823257718 /nfs/dbraw/zinc/25/77/18/823257718.db2.gz XDXFBIMTHUQBBB-UHFFFAOYSA-N 1 0 387.483 4.268 20 0 GIADRO COCC[C@H](Cc1cccc(F)c1)[NH2+][C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000121800236 823254002 /nfs/dbraw/zinc/25/40/02/823254002.db2.gz UGNXVMDBXSJPRM-OPAMFIHVSA-N 1 0 384.495 4.473 20 0 GIADRO C[C@H]1CCN(C(=O)N2CCC([N@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)C1 ZINC000409583464 823254699 /nfs/dbraw/zinc/25/46/99/823254699.db2.gz ULGVJOBNBIKENX-HNNXBMFYSA-N 1 0 383.458 4.063 20 0 GIADRO C[C@@H](CCC(F)(F)F)[NH2+]C[C@H](CO)Cc1cc(F)cc(Br)c1 ZINC000459709929 823254756 /nfs/dbraw/zinc/25/47/56/823254756.db2.gz UFVYCMYCDSPPFK-CMPLNLGQSA-N 1 0 386.227 4.060 20 0 GIADRO CC[NH+]1CCC(NC(=O)N[C@H](c2ccc(Br)cc2)C2CCC2)CC1 ZINC000057145118 823254757 /nfs/dbraw/zinc/25/47/57/823254757.db2.gz AHBYVWALDCILEH-SFHVURJKSA-N 1 0 394.357 4.074 20 0 GIADRO OC[C@]1(Cc2ccc(F)cc2)CC[N@H+](Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000571926010 823255259 /nfs/dbraw/zinc/25/52/59/823255259.db2.gz RLCXMKMEWQOIGP-IBGZPJMESA-N 1 0 385.376 4.411 20 0 GIADRO Cc1c([C@H](C)[NH2+]CC2CCN(CC(F)(F)F)CC2)cnn1-c1ccc(F)cc1 ZINC000188518648 823255254 /nfs/dbraw/zinc/25/52/54/823255254.db2.gz VUMYOCPPJYFVMT-AWEZNQCLSA-N 1 0 398.448 4.245 20 0 GIADRO O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000057153401 823255661 /nfs/dbraw/zinc/25/56/61/823255661.db2.gz GOCDEBCNQKTGQA-QFIPXVFZSA-N 1 0 388.515 4.139 20 0 GIADRO CC(=O)c1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(Oc3cccnc3)cc2)cc1 ZINC000571929358 823256134 /nfs/dbraw/zinc/25/61/34/823256134.db2.gz ISWDUNNUNQSWJP-INIZCTEOSA-N 1 0 389.455 4.366 20 0 GIADRO O=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000057154093 823256156 /nfs/dbraw/zinc/25/61/56/823256156.db2.gz CFMHYNDKYMXYIE-HXUWFJFHSA-N 1 0 397.906 4.070 20 0 GIADRO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@H](C)CCc2ccc(F)cc2F)cc1 ZINC000571936395 823257058 /nfs/dbraw/zinc/25/70/58/823257058.db2.gz YVKLHNOOZFTRRU-CVEARBPZSA-N 1 0 381.488 4.046 20 0 GIADRO C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000121818211 823257247 /nfs/dbraw/zinc/25/72/47/823257247.db2.gz SFJXAWAWDDHILN-LPHOPBHVSA-N 1 0 388.943 4.325 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)Cc1ccc(OCc2ccncc2)cc1 ZINC000459728796 823257360 /nfs/dbraw/zinc/25/73/60/823257360.db2.gz AOGXMDWNIGDROG-UHFFFAOYSA-N 1 0 381.545 4.286 20 0 GIADRO CCCCc1ccc(NC(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000176654293 823258260 /nfs/dbraw/zinc/25/82/60/823258260.db2.gz TYOPOIPTKJTJGL-UHFFFAOYSA-N 1 0 395.547 4.308 20 0 GIADRO O=C(Nc1cccc(N2CCCCC2=O)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000057169472 823258374 /nfs/dbraw/zinc/25/83/74/823258374.db2.gz VYSKVXQNKCKGTO-UHFFFAOYSA-N 1 0 391.515 4.054 20 0 GIADRO CN(c1ccccc1)C1CCN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000057175246 823259322 /nfs/dbraw/zinc/25/93/22/823259322.db2.gz VFUWLBFOEIPHMY-QFIPXVFZSA-N 1 0 391.559 4.026 20 0 GIADRO Cc1ccc(C[C@H]([NH2+][C@H](C)c2cccc(-n3cnnn3)c2)c2ccccn2)cc1 ZINC000121833389 823259517 /nfs/dbraw/zinc/25/95/17/823259517.db2.gz BWKDVXXSJHOGQQ-JPYJTQIMSA-N 1 0 384.487 4.000 20 0 GIADRO Cc1nnc([C@H](C)[NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)s1 ZINC000459748782 823259816 /nfs/dbraw/zinc/25/98/16/823259816.db2.gz IAMMMHTUBIBQLB-ONGXBYRLSA-N 1 0 396.535 4.304 20 0 GIADRO C[C@H](Cc1cccc(F)c1)[N@H+](C)Cc1nnc(-c2ccc(Br)o2)o1 ZINC000459748573 823260061 /nfs/dbraw/zinc/26/00/61/823260061.db2.gz DYKXKXBKCOPRRE-LLVKDONJSA-N 1 0 394.244 4.294 20 0 GIADRO Cc1cc(C[NH2+][C@@H]2CCO[C@H]2c2cncc(Br)c2)ccc1Cl ZINC000459750845 823260307 /nfs/dbraw/zinc/26/03/07/823260307.db2.gz ALMXYMSWQHUUBM-SJORKVTESA-N 1 0 381.701 4.426 20 0 GIADRO CC(C)(C)[C@H]1C[C@H]([NH2+][C@@H]2CCO[C@H]2c2cncc(Br)c2)CS1 ZINC000459750925 823260386 /nfs/dbraw/zinc/26/03/86/823260386.db2.gz AXUWSLXZGWNLGD-JJXSEGSLSA-N 1 0 385.371 4.184 20 0 GIADRO CC(=O)c1ccc(NC(=O)CC[N@@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)cc1 ZINC000121838328 823260485 /nfs/dbraw/zinc/26/04/85/823260485.db2.gz ATCIBENXTLCDNH-SFTDATJTSA-N 1 0 398.503 4.179 20 0 GIADRO Brc1cncc([C@@H]2OCC[C@H]2[NH2+]CCSCc2ccccc2)c1 ZINC000459754907 823260886 /nfs/dbraw/zinc/26/08/86/823260886.db2.gz FHSBCCXJTNCKBG-MSOLQXFVSA-N 1 0 393.350 4.197 20 0 GIADRO Fc1cc(Cl)ccc1C[NH2+][C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000459758581 823261241 /nfs/dbraw/zinc/26/12/41/823261241.db2.gz INASCKSERBDNLE-CVEARBPZSA-N 1 0 385.664 4.256 20 0 GIADRO C[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000459764828 823261844 /nfs/dbraw/zinc/26/18/44/823261844.db2.gz NTICAJIKFZHRJZ-RZAIGCCYSA-N 1 0 379.273 4.034 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccn(C)n1 ZINC000459764621 823261949 /nfs/dbraw/zinc/26/19/49/823261949.db2.gz VBPKVGAQBDDWAL-WDEREUQCSA-N 1 0 388.821 4.160 20 0 GIADRO CC(C)(CNC(=O)Nc1cccc(-c2noc(C3CC3)n2)c1)[NH+]1CCCCC1 ZINC000176666633 823262049 /nfs/dbraw/zinc/26/20/49/823262049.db2.gz WTZFQZGYZSHHAD-UHFFFAOYSA-N 1 0 383.496 4.000 20 0 GIADRO CC1CC[NH+](Cc2ccccc2CNC(=O)N2CCC(F)(F)[C@@H](C)C2)CC1 ZINC000571967003 823262155 /nfs/dbraw/zinc/26/21/55/823262155.db2.gz HNZBTCLVJHVEIG-KRWDZBQOSA-N 1 0 379.495 4.105 20 0 GIADRO C[C@@H](Cc1ccccc1F)[NH2+][C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000459766158 823262245 /nfs/dbraw/zinc/26/22/45/823262245.db2.gz PAPBGONAJXAJIR-RZAIGCCYSA-N 1 0 379.273 4.034 20 0 GIADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000459771319 823262800 /nfs/dbraw/zinc/26/28/00/823262800.db2.gz RPAJLZJYYKORHW-CCKFTAQKSA-N 1 0 391.353 4.140 20 0 GIADRO C[C@@H](c1ccc(C[NH2+]C2(C(N)=O)C3CC4CC(C3)CC2C4)cc1)C(F)(F)F ZINC000459778134 823263753 /nfs/dbraw/zinc/26/37/53/823263753.db2.gz PGHAQJMOXUHDNV-JIRUXBQLSA-N 1 0 380.454 4.122 20 0 GIADRO COc1ccccc1[C@H]1[C@@H]([NH3+])CCCN1C(=O)c1cnc(-c2ccccc2)s1 ZINC000571976128 823264195 /nfs/dbraw/zinc/26/41/95/823264195.db2.gz CXQZFMIXMRCKBW-PXNSSMCTSA-N 1 0 393.512 4.123 20 0 GIADRO COc1ccc(C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1-c1ccccn1 ZINC000121858833 823264525 /nfs/dbraw/zinc/26/45/25/823264525.db2.gz RTJUVNNLHCXBSH-RTBURBONSA-N 1 0 395.547 4.245 20 0 GIADRO CCOc1cccc2cc([C@H](C)NC(=O)Nc3ccc4c(c3)C[NH2+]CC4)oc21 ZINC000572011015 823268850 /nfs/dbraw/zinc/26/88/50/823268850.db2.gz WESKPHKKWFEUKN-AWEZNQCLSA-N 1 0 379.460 4.360 20 0 GIADRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N(C)CCc1cccs1 ZINC000121861192 823264991 /nfs/dbraw/zinc/26/49/91/823264991.db2.gz LWAFVLNVSXWEDK-QZTJIDSGSA-N 1 0 385.577 4.089 20 0 GIADRO O[C@H](C[C@H]1CCCCC[N@@H+]1Cc1nc(-c2ccc(F)cc2)no1)c1ccco1 ZINC000121862017 823265065 /nfs/dbraw/zinc/26/50/65/823265065.db2.gz XOHLCWXNJIVHPI-QZTJIDSGSA-N 1 0 385.439 4.337 20 0 GIADRO Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]C1CCN(C(=O)c2ccoc2)CC1 ZINC000121863331 823265371 /nfs/dbraw/zinc/26/53/71/823265371.db2.gz IVQQDWTVVWWEGN-IBGZPJMESA-N 1 0 388.895 4.350 20 0 GIADRO O=C(c1cn(Cc2ccccc2)c2ccccc12)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000572010562 823269002 /nfs/dbraw/zinc/26/90/02/823269002.db2.gz CBXZWXLETXVZBI-HSZRJFAPSA-N 1 0 387.527 4.294 20 0 GIADRO O[C@@H]1CC[N@H+](Cc2nc(-c3c(F)cccc3F)cs2)C[C@H]1C1CCCC1 ZINC000459796259 823265884 /nfs/dbraw/zinc/26/58/84/823265884.db2.gz QAOBMMHTNUQTGK-KBXCAEBGSA-N 1 0 378.488 4.461 20 0 GIADRO COc1cc(NC(=O)CC[NH2+]CC[C@H](C)c2ccccc2)c(OC)cc1Cl ZINC000571993709 823266763 /nfs/dbraw/zinc/26/67/63/823266763.db2.gz HAGVBVVGYCDKFS-HNNXBMFYSA-N 1 0 390.911 4.469 20 0 GIADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3csc(-c4cccc(C(F)(F)F)c4)n3)C[C@@H]21 ZINC000571999341 823267606 /nfs/dbraw/zinc/26/76/06/823267606.db2.gz ADTIKWOPAHFWNB-AEGPPILISA-N 1 0 395.450 4.028 20 0 GIADRO CC(C)OCC[NH+]1CCC(NC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000176687423 823268106 /nfs/dbraw/zinc/26/81/06/823268106.db2.gz GYZRRMAHGZWZJG-SJORKVTESA-N 1 0 399.362 4.103 20 0 GIADRO C[C@H]([NH2+]C[C@]1(O)CCC[C@H](C(F)(F)F)C1)c1ncc(Br)cc1F ZINC000188600512 823270064 /nfs/dbraw/zinc/27/00/64/823270064.db2.gz NVCXDHKPOPHFHQ-BHDSKKPTSA-N 1 0 399.226 4.117 20 0 GIADRO FC(F)Oc1cc(C[NH2+][C@@H]2CCc3sc(Br)cc32)ccn1 ZINC000572022496 823270265 /nfs/dbraw/zinc/27/02/65/823270265.db2.gz FYHMWUKRJFPHFH-SNVBAGLBSA-N 1 0 375.238 4.284 20 0 GIADRO C[C@H]1CCC[C@H]([NH+]2CCC(Nc3ccc(Cc4nnc5n4CCC5)cc3)CC2)C1 ZINC000188603828 823270925 /nfs/dbraw/zinc/27/09/25/823270925.db2.gz MHTNWQCAONRINF-AVRDEDQJSA-N 1 0 393.579 4.270 20 0 GIADRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1 ZINC000572026302 823271085 /nfs/dbraw/zinc/27/10/85/823271085.db2.gz YVIWWFUEAZEURD-UHFFFAOYSA-N 1 0 393.409 4.374 20 0 GIADRO O=C(CC[NH+]1CCC(c2c[nH]c3cc(F)ccc32)CC1)N1CCc2ccccc21 ZINC000572027374 823271142 /nfs/dbraw/zinc/27/11/42/823271142.db2.gz FNBFFICBRBYFIX-UHFFFAOYSA-N 1 0 391.490 4.466 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[C@H](c3ccccc3OC)C2)cc1 ZINC000121892405 823271528 /nfs/dbraw/zinc/27/15/28/823271528.db2.gz GIWKKNGKXMZXQD-NRFANRHFSA-N 1 0 395.547 4.236 20 0 GIADRO O=C(C(Cc1ccccc1)Cc1ccccc1)N1CCC([NH+]2CCCC2)CC1 ZINC000409652926 823274633 /nfs/dbraw/zinc/27/46/33/823274633.db2.gz OSPFVKLOZIJQCY-UHFFFAOYSA-N 1 0 376.544 4.175 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)[C@H]2C[C@H]2c2ccc(C(F)(F)F)cc2)cc1F ZINC000121899603 823272884 /nfs/dbraw/zinc/27/28/84/823272884.db2.gz SICAEDVRCFCYLB-ROUUACIJSA-N 1 0 394.412 4.326 20 0 GIADRO OC[C@@]1(Cc2ccc(F)cc2)CC[N@H+](Cc2cccc(Br)c2)C1 ZINC000572040093 823272966 /nfs/dbraw/zinc/27/29/66/823272966.db2.gz WZRWQEMUHBPADN-LJQANCHMSA-N 1 0 378.285 4.015 20 0 GIADRO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000121901363 823273230 /nfs/dbraw/zinc/27/32/30/823273230.db2.gz ZELCMWSHAQUJNI-KGLIPLIRSA-N 1 0 396.350 4.134 20 0 GIADRO Cc1cc(-c2cc(C(=O)N[C@@H](C)C[C@H](C)[NH3+])c3cnn(C(C)C)c3n2)c(C)s1 ZINC000572043929 823273319 /nfs/dbraw/zinc/27/33/19/823273319.db2.gz UFHTWRQEGSBLID-STQMWFEESA-N 1 0 399.564 4.213 20 0 GIADRO CC(C)n1nc(-c2ccccc2)cc1NC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000572076183 823278441 /nfs/dbraw/zinc/27/84/41/823278441.db2.gz OCQVVTLFXUHCAC-UHFFFAOYSA-N 1 0 381.524 4.269 20 0 GIADRO Cc1cccc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C(=O)N(C)c2ccccn2)c1 ZINC000460016246 823279342 /nfs/dbraw/zinc/27/93/42/823279342.db2.gz MLKJGZSDYFFUEX-PKTZIBPZSA-N 1 0 385.511 4.269 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1occc1Br ZINC000176728960 823279418 /nfs/dbraw/zinc/27/94/18/823279418.db2.gz JXXLYTNCNZVXDU-CQSZACIVSA-N 1 0 391.309 4.347 20 0 GIADRO CC(C)(C)[C@H](NC(=O)NC1CC[NH+](Cc2ccccn2)CC1)c1ccc(F)cc1 ZINC000121933182 823279781 /nfs/dbraw/zinc/27/97/81/823279781.db2.gz OJIIQUXOKBOBCQ-OAQYLSRUSA-N 1 0 398.526 4.272 20 0 GIADRO CC(C)(CNC(=O)N1CCC([NH+]2CCCCC2)CC1)c1ccc(Cl)cc1 ZINC000057282144 823275504 /nfs/dbraw/zinc/27/55/04/823275504.db2.gz QWLUPPSQBWPTQH-UHFFFAOYSA-N 1 0 377.960 4.278 20 0 GIADRO C[C@@H](c1ccco1)N(C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)C1CC1 ZINC000121913161 823275976 /nfs/dbraw/zinc/27/59/76/823275976.db2.gz USXWJTUVGYRATP-IRXDYDNUSA-N 1 0 387.549 4.488 20 0 GIADRO CC[NH+](CC)CCOc1ccc(CNC(=O)Nc2ccc(C)c(C)c2)cc1OC ZINC000409673220 823280041 /nfs/dbraw/zinc/28/00/41/823280041.db2.gz XTTBOBKNVKKYQF-UHFFFAOYSA-N 1 0 399.535 4.354 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)c2cc(F)c(Cl)nc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000176720696 823276554 /nfs/dbraw/zinc/27/65/54/823276554.db2.gz PWPUTPPQYNMOIV-TZMCWYRMSA-N 1 0 396.293 4.310 20 0 GIADRO COc1cc(OC)c([C@H](C)[NH2+]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)cc1Cl ZINC000188634175 823277264 /nfs/dbraw/zinc/27/72/64/823277264.db2.gz BAYJYLLFROGVOQ-NVGCLXPQSA-N 1 0 395.849 4.491 20 0 GIADRO C[C@@H](Cc1ccccc1C(F)(F)F)[N@H+](C)CC(=O)N(C)Cc1cccs1 ZINC000572068632 823277525 /nfs/dbraw/zinc/27/75/25/823277525.db2.gz ISFWFCRAOICUDY-AWEZNQCLSA-N 1 0 384.467 4.288 20 0 GIADRO O=C(N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccoc1C1CC1 ZINC000409698848 823285341 /nfs/dbraw/zinc/28/53/41/823285341.db2.gz QPCRFMIOEDLZMJ-MRXNPFEDSA-N 1 0 378.394 4.180 20 0 GIADRO C[C@H](C(=O)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21)[C@H]1OCCc2sccc21 ZINC000460027309 823280778 /nfs/dbraw/zinc/28/07/78/823280778.db2.gz QAVNCCJTXDJEHT-LUQKVYGDSA-N 1 0 382.529 4.009 20 0 GIADRO Cc1nc(CSc2ccc(C(=O)N3CCCC[C@H]3[C@H](C)[NH3+])cc2)cs1 ZINC000121937346 823280805 /nfs/dbraw/zinc/28/08/05/823280805.db2.gz XLIPYUZERWMTFV-UGSOOPFHSA-N 1 0 375.563 4.086 20 0 GIADRO C[NH+]1CCN(C[C@@H](NCc2cc(Cl)sc2Cl)c2ccccc2)CC1 ZINC000572089912 823281795 /nfs/dbraw/zinc/28/17/95/823281795.db2.gz AHSOWOFFQTWIJZ-MRXNPFEDSA-N 1 0 384.376 4.133 20 0 GIADRO COc1cccc2c1CC[C@H]2[NH2+][C@@H](C)c1ccc(OC)c(Cn2cccn2)c1 ZINC000121949193 823283041 /nfs/dbraw/zinc/28/30/41/823283041.db2.gz NMCAKQWDGJXTNS-HRAATJIYSA-N 1 0 377.488 4.287 20 0 GIADRO COc1ccc(C[NH2+][C@@H]2CCO[C@H]2c2ccccc2)cc1OCc1cccnc1 ZINC000176745432 823283059 /nfs/dbraw/zinc/28/30/59/823283059.db2.gz PCPSVSKKZDJYME-QPPBQGQZSA-N 1 0 390.483 4.289 20 0 GIADRO COc1ccc2c(C[N@@H+]3CCCCC[C@H]3C[C@H](O)c3ccco3)cc(=O)oc2c1 ZINC000121950538 823283778 /nfs/dbraw/zinc/28/37/78/823283778.db2.gz QSMXODLNNVKMEW-PXNSSMCTSA-N 1 0 397.471 4.263 20 0 GIADRO CCOc1ccc(-c2nc(C(=O)N(C3CC3)C3CC[NH+](CC)CC3)cs2)cc1 ZINC000057372005 823283890 /nfs/dbraw/zinc/28/38/90/823283890.db2.gz ZMQQSRMOGZBSIK-UHFFFAOYSA-N 1 0 399.560 4.298 20 0 GIADRO Cc1cccnc1[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(OC(F)F)cc1)C(C)C ZINC000572109459 823284707 /nfs/dbraw/zinc/28/47/07/823284707.db2.gz PSZHBHYTFMRLQH-YOEHRIQHSA-N 1 0 377.435 4.305 20 0 GIADRO Cc1ccc(/C=C/C(=O)NCc2ccccc2C[NH+](C)C)c(Br)c1 ZINC000007064635 817751212 /nfs/dbraw/zinc/75/12/12/817751212.db2.gz GRWLZRFGCBNNJN-ZHACJKMWSA-N 1 0 387.321 4.149 20 0 GIADRO Cc1cccc(OCCCCC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)c1 ZINC000057385026 823286280 /nfs/dbraw/zinc/28/62/80/823286280.db2.gz STWQMOYZFWDGTA-UHFFFAOYSA-N 1 0 380.532 4.279 20 0 GIADRO CSC1(CNC(=O)N[C@H](c2ccc(F)cc2)C(C)(C)C)CC[NH+](C)CC1 ZINC000460110306 823286410 /nfs/dbraw/zinc/28/64/10/823286410.db2.gz VVRXZVJMYWIKEU-QGZVFWFLSA-N 1 0 381.561 4.040 20 0 GIADRO CC[C@H](NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)c1cccs1 ZINC000460111656 823286741 /nfs/dbraw/zinc/28/67/41/823286741.db2.gz SAUFDPKJIJZDHD-AABGKKOBSA-N 1 0 383.561 4.363 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CCc2ccccc2OC(F)F)cc1NC(C)=O ZINC000188716624 823291840 /nfs/dbraw/zinc/29/18/40/823291840.db2.gz IVXNVPUWUSNOFP-CYBMUJFWSA-N 1 0 378.419 4.148 20 0 GIADRO CC1(C)CCN(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CCS1 ZINC000572128971 823287449 /nfs/dbraw/zinc/28/74/49/823287449.db2.gz VNWSSRSWRCDCLG-FQEVSTJZSA-N 1 0 389.609 4.216 20 0 GIADRO Cc1cc(C)c(NC(=O)N2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c(C)c1 ZINC000176766546 823287470 /nfs/dbraw/zinc/28/74/70/823287470.db2.gz YDMCPQLLGFRWAI-PMACEKPBSA-N 1 0 387.568 4.355 20 0 GIADRO C[C@H](NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)c1c(F)cccc1F ZINC000460116565 823287590 /nfs/dbraw/zinc/28/75/90/823287590.db2.gz ZMHVTZIQULINDJ-WDSOQIARSA-N 1 0 399.485 4.189 20 0 GIADRO COc1cnc2ccccc2c1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000572137799 823288645 /nfs/dbraw/zinc/28/86/45/823288645.db2.gz ZZLZVEQZZBFLRP-UHFFFAOYSA-N 1 0 393.512 4.045 20 0 GIADRO Cc1cc(Cl)ccc1NC(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000176771304 823289381 /nfs/dbraw/zinc/28/93/81/823289381.db2.gz MUMSQJDTBAVGRK-CALCHBBNSA-N 1 0 393.959 4.392 20 0 GIADRO CC[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)c1nc(C(F)(F)F)cs1 ZINC000460124612 823289555 /nfs/dbraw/zinc/28/95/55/823289555.db2.gz LFGZDGGFQZSGBJ-GFCCVEGCSA-N 1 0 377.476 4.241 20 0 GIADRO Cc1ccc(NC(=O)N2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(Cl)c1 ZINC000176773111 823289598 /nfs/dbraw/zinc/28/95/98/823289598.db2.gz LHAORJRGTNLCCX-CALCHBBNSA-N 1 0 393.959 4.392 20 0 GIADRO CCC[C@@H](C)[C@@H](CC)[NH2+]C1CCN(c2ccc(S(=O)(=O)CC)cc2)CC1 ZINC000121994722 823290179 /nfs/dbraw/zinc/29/01/79/823290179.db2.gz QBLZQDXSEZDJMU-DYESRHJHSA-N 1 0 380.598 4.253 20 0 GIADRO CCN(C(=O)Nc1cc(F)c(F)cc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000460131863 823291161 /nfs/dbraw/zinc/29/11/61/823291161.db2.gz DLCRKZUBNXYZTK-HNNXBMFYSA-N 1 0 377.410 4.232 20 0 GIADRO CC(C)(C)OC(=O)NC1CCC([NH2+]CCc2ccccc2OC(F)F)CC1 ZINC000188716656 823292037 /nfs/dbraw/zinc/29/20/37/823292037.db2.gz RTCKPILDLJOFLE-UHFFFAOYSA-N 1 0 384.467 4.256 20 0 GIADRO CCN(C(=O)Nc1ccccc1-n1cccn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000460135310 823292256 /nfs/dbraw/zinc/29/22/56/823292256.db2.gz UGHFTEFVMRFXEF-FQEVSTJZSA-N 1 0 389.503 4.001 20 0 GIADRO Cc1nc(-c2ccsc2)ccc1C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000122008936 823292624 /nfs/dbraw/zinc/29/26/24/823292624.db2.gz GWHCCSFMLVFTMB-UHFFFAOYSA-N 1 0 383.492 4.249 20 0 GIADRO Cc1nc(CC(C)C)oc1C(=O)Nc1cc(C[NH+]2CCSCC2)ccc1C ZINC000188721426 823292853 /nfs/dbraw/zinc/29/28/53/823292853.db2.gz XNXLOGHMLSQBPS-UHFFFAOYSA-N 1 0 387.549 4.291 20 0 GIADRO C[N@@H+]1CCC[C@@H]2CN(c3ccnc4c(Br)ccc(F)c34)CC[C@H]21 ZINC000409731287 823293139 /nfs/dbraw/zinc/29/31/39/823293139.db2.gz YSLZLOBLVUTZCK-IUODEOHRSA-N 1 0 378.289 4.057 20 0 GIADRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)C[C@H]1C=CCCC1 ZINC000188727042 823294026 /nfs/dbraw/zinc/29/40/26/823294026.db2.gz YUMCRSNBIRYZSM-PZJWPPBQSA-N 1 0 378.520 4.323 20 0 GIADRO COc1cccc([C@H](CNC(=S)Nc2ccc(F)c(Cl)c2)[NH+](C)C)c1 ZINC000007581470 817873598 /nfs/dbraw/zinc/87/35/98/817873598.db2.gz FWRWLAIYVVUGFO-KRWDZBQOSA-N 1 0 381.904 4.077 20 0 GIADRO CCS(=O)(=O)c1ccccc1N1CCC([NH2+][C@@H](C)c2ccc(C)s2)CC1 ZINC000122030290 823296127 /nfs/dbraw/zinc/29/61/27/823296127.db2.gz HGXSNSZIXDPZLG-INIZCTEOSA-N 1 0 392.590 4.170 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)CC(c1ccccc1)c1ccccc1)Cc1ccccc1 ZINC000007683642 817894309 /nfs/dbraw/zinc/89/43/09/817894309.db2.gz GGKMDRQSNKUFLG-DEOSSOPVSA-N 1 0 386.539 4.498 20 0 GIADRO Cc1ccccc1C1(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)CCOCC1 ZINC000057433931 823296598 /nfs/dbraw/zinc/29/65/98/823296598.db2.gz JXJPZXKXXRTQOO-UHFFFAOYSA-N 1 0 394.559 4.200 20 0 GIADRO O=C(NCc1ccc2c(c1)C[NH2+]C2)C1(c2ccc(Cl)c(Cl)c2)CCC1 ZINC000188754526 823297930 /nfs/dbraw/zinc/29/79/30/823297930.db2.gz FPVUTONXPFMJKV-UHFFFAOYSA-N 1 0 375.299 4.335 20 0 GIADRO C[C@@H](NC(=O)NCC1CCC(F)(F)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000409742770 823296817 /nfs/dbraw/zinc/29/68/17/823296817.db2.gz SPIKAUHXXJHHPG-APWZRJJASA-N 1 0 379.495 4.022 20 0 GIADRO CC1(C)CC(NC(=O)COc2ccc3oc4c(c3c2)CCCC4)CC(C)(C)[NH2+]1 ZINC000007770951 817912319 /nfs/dbraw/zinc/91/23/19/817912319.db2.gz ZXJOZPMLBQVWDH-UHFFFAOYSA-N 1 0 384.520 4.116 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)CCc2nc3ccccc3s2)cc1 ZINC000007828548 817927188 /nfs/dbraw/zinc/92/71/88/817927188.db2.gz ZNZYNORXXYGHQK-UHFFFAOYSA-N 1 0 381.545 4.387 20 0 GIADRO FC(F)(F)c1ccc(-c2n[nH]cc2C[NH2+]CCc2ccc3c(c2)OCO3)cc1 ZINC000572219549 823303295 /nfs/dbraw/zinc/30/32/95/823303295.db2.gz SOQWJPGPRWYAQS-UHFFFAOYSA-N 1 0 389.377 4.157 20 0 GIADRO CCOc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1OC ZINC000007850559 817937877 /nfs/dbraw/zinc/93/78/77/817937877.db2.gz SHULHWZJVWZYCC-UHFFFAOYSA-N 1 0 382.504 4.010 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccccc2Cl)cc1Br ZINC000007879192 817947624 /nfs/dbraw/zinc/94/76/24/817947624.db2.gz IYCCPDXLSWQDGF-NSHDSACASA-N 1 0 397.700 4.400 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2C)cc1Br ZINC000007879139 817947792 /nfs/dbraw/zinc/94/77/92/817947792.db2.gz CPIKIWJIZOHUMI-CYBMUJFWSA-N 1 0 377.282 4.055 20 0 GIADRO CCCC[C@H](C)N(C)C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000460164059 823302776 /nfs/dbraw/zinc/30/27/76/823302776.db2.gz CIFNZPLGMNHEPV-GBESFXJTSA-N 1 0 375.557 4.016 20 0 GIADRO COc1ccc2c(C[N@@H+](Cc3cccs3)C[C@H]3CCCO3)cc(=O)oc2c1 ZINC000007927396 817961817 /nfs/dbraw/zinc/96/18/17/817961817.db2.gz PXRSKYKVTWJXQH-QGZVFWFLSA-N 1 0 385.485 4.044 20 0 GIADRO CCN(C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1)[C@@H]1CCOC(C)(C)C1 ZINC000460153106 823299136 /nfs/dbraw/zinc/29/91/36/823299136.db2.gz WNQIUEVGSBDTSE-RTWAWAEBSA-N 1 0 387.568 4.121 20 0 GIADRO CCOC(=O)Nc1ccc(C(=O)NCc2ccccc2C[NH+](CC)CC)cc1 ZINC000007946810 817966952 /nfs/dbraw/zinc/96/69/52/817966952.db2.gz CXOYXLBZEAOYLT-UHFFFAOYSA-N 1 0 383.492 4.027 20 0 GIADRO C[NH+](C)CCN(C(=O)c1csc(CCc2ccccc2)n1)c1ccccc1 ZINC000409753558 823299542 /nfs/dbraw/zinc/29/95/42/823299542.db2.gz RKVICRCOFMPORS-UHFFFAOYSA-N 1 0 379.529 4.137 20 0 GIADRO CCCCOc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1OC ZINC000008011816 817982232 /nfs/dbraw/zinc/98/22/32/817982232.db2.gz BAHFIVIFCMHWGS-UHFFFAOYSA-N 1 0 396.531 4.400 20 0 GIADRO C/C=C/c1ccc(OCC(=O)NCc2ccccc2C[NH+]2CCCC2)c(OC)c1 ZINC000008012161 817982700 /nfs/dbraw/zinc/98/27/00/817982700.db2.gz DESPJQOTEWMNMR-FPYGCLRLSA-N 1 0 394.515 4.019 20 0 GIADRO CCN(C(=O)NC[C@H](c1ccsc1)[NH+](CC)CC)[C@H]1CCOC(C)(C)C1 ZINC000460169658 823304358 /nfs/dbraw/zinc/30/43/58/823304358.db2.gz KTGOQLKFAVKSDK-ZWKOTPCHSA-N 1 0 381.586 4.120 20 0 GIADRO O=C(c1cc(-c2ccccc2)nc2ccccc21)N1CCN(c2cc[nH+]cc2)CC1 ZINC000008097860 818000214 /nfs/dbraw/zinc/00/02/14/818000214.db2.gz DZUGAZQZMXKEPJ-UHFFFAOYSA-N 1 0 394.478 4.259 20 0 GIADRO C[NH+](C)[C@@H](CNC(=S)Nc1cccc(Br)c1)c1ccccc1 ZINC000008105269 818000807 /nfs/dbraw/zinc/00/08/07/818000807.db2.gz YXPVXBBWHUWRLW-INIZCTEOSA-N 1 0 378.339 4.038 20 0 GIADRO C[N@H+](CCCNC(=S)Nc1cccc(Br)c1)Cc1ccccc1 ZINC000008107621 818001533 /nfs/dbraw/zinc/00/15/33/818001533.db2.gz IHWRWDNTPKEGGP-UHFFFAOYSA-N 1 0 392.366 4.258 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)N1CCCc2occc2C1 ZINC000460170258 823304731 /nfs/dbraw/zinc/30/47/31/823304731.db2.gz YSWSRNGWTXQXDT-UHFFFAOYSA-N 1 0 381.520 4.314 20 0 GIADRO CCC(O)(CC)C(C)(C)C[NH2+]Cc1ccc(OCc2ccncc2)c(OC)c1 ZINC000572258648 823308679 /nfs/dbraw/zinc/30/86/79/823308679.db2.gz SRFGMOOQPICVFN-UHFFFAOYSA-N 1 0 386.536 4.336 20 0 GIADRO O=C(c1cnn([C@H]2CCC[NH2+]C2)c1)N(Cc1ccccc1Cl)C1CCCC1 ZINC000572234379 823305838 /nfs/dbraw/zinc/30/58/38/823305838.db2.gz ZCCPERGNSVVQTO-IBGZPJMESA-N 1 0 386.927 4.046 20 0 GIADRO Cc1ccc([C@@H]([NH2+]CC(=O)Nc2ccc3c(c2)OCCO3)c2ccccc2)cc1 ZINC000008265589 818026794 /nfs/dbraw/zinc/02/67/94/818026794.db2.gz QJSGTQMYKMVHDA-DEOSSOPVSA-N 1 0 388.467 4.084 20 0 GIADRO C[C@@H](c1ccco1)N(C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)C1CC1 ZINC000122099581 823306194 /nfs/dbraw/zinc/30/61/94/823306194.db2.gz HLCBWKHORZHMGY-AZUAARDMSA-N 1 0 381.520 4.079 20 0 GIADRO O=C(Nc1cccc2c1CC[NH2+]C2)N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000572259362 823308841 /nfs/dbraw/zinc/30/88/41/823308841.db2.gz KFDVNSNKGAPIAR-OAHLLOKOSA-N 1 0 394.450 4.024 20 0 GIADRO C[NH+](C)CCSc1nnc(COc2ccccc2Cl)n1-c1ccccc1 ZINC000057533070 823307381 /nfs/dbraw/zinc/30/73/81/823307381.db2.gz GCEQRWOGNUMJFY-UHFFFAOYSA-N 1 0 388.924 4.153 20 0 GIADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000176845247 823307622 /nfs/dbraw/zinc/30/76/22/823307622.db2.gz LQPKCJUENUTWGA-YLJYHZDGSA-N 1 0 394.987 4.162 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)c2cc(-c3ccc(F)cc3)on2)CC1 ZINC000122111152 823307834 /nfs/dbraw/zinc/30/78/34/823307834.db2.gz WIMHKFUVHQLVMA-UHFFFAOYSA-N 1 0 393.462 4.217 20 0 GIADRO Cc1ccc(NC(=O)C(C)C)cc1NC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000057541437 823308040 /nfs/dbraw/zinc/30/80/40/823308040.db2.gz ZFTKADIFTPXSRY-UHFFFAOYSA-N 1 0 388.556 4.366 20 0 GIADRO Cc1cccc([C@H](NC(=O)N(CC[NH+](C)C)Cc2ccccn2)C(C)(C)C)c1 ZINC000176853454 823310306 /nfs/dbraw/zinc/31/03/06/823310306.db2.gz OYBGIEJFTAFIHX-NRFANRHFSA-N 1 0 382.552 4.251 20 0 GIADRO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1ccc(SC(=O)N(C)C)cc1 ZINC000176854127 823310617 /nfs/dbraw/zinc/31/06/17/823310617.db2.gz PPENBCJDHNWVNX-MRXNPFEDSA-N 1 0 395.532 4.234 20 0 GIADRO Cc1c[nH+]ccc1N1CCC(C(=O)N2CCC[C@]2(C)Cc2ccc(F)cc2)CC1 ZINC000572271912 823310997 /nfs/dbraw/zinc/31/09/97/823310997.db2.gz MNIRXHDYCUMNEU-XMMPIXPASA-N 1 0 395.522 4.369 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cc(Cl)ccc2OC)cc1 ZINC000011708372 818110884 /nfs/dbraw/zinc/11/08/84/818110884.db2.gz QWPSGNJFRJCKBI-KGLIPLIRSA-N 1 0 376.884 4.425 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(OC(F)F)cc2)cc1 ZINC000011709951 818111416 /nfs/dbraw/zinc/11/14/16/818111416.db2.gz QRYYJLDWHXBDHR-KBPBESRZSA-N 1 0 378.419 4.365 20 0 GIADRO Cc1nn(Cc2ccccc2)c(C)c1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000572286588 823313630 /nfs/dbraw/zinc/31/36/30/823313630.db2.gz QOWOUDBROBMQBB-UHFFFAOYSA-N 1 0 378.476 4.131 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(Cl)sc3Cl)cc2)CC1 ZINC000011948542 818131820 /nfs/dbraw/zinc/13/18/20/818131820.db2.gz YRENODJVIUYVNW-UHFFFAOYSA-N 1 0 384.332 4.449 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)CCC(=O)c3cc(C)ccc3C)cc2)CC1 ZINC000011952111 818131934 /nfs/dbraw/zinc/13/19/34/818131934.db2.gz NRZFCWWNKBAOIU-UHFFFAOYSA-N 1 0 393.531 4.047 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc4ccc(F)cc4nc3C)cc2)CC1 ZINC000011952834 818132165 /nfs/dbraw/zinc/13/21/65/818132165.db2.gz YLAUBHZKXBSIGM-UHFFFAOYSA-N 1 0 392.478 4.077 20 0 GIADRO CCOc1ccc([C@H](C)NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cc1OCC ZINC000057606244 823314236 /nfs/dbraw/zinc/31/42/36/823314236.db2.gz FPSQQELIBGCMRW-KRWDZBQOSA-N 1 0 391.556 4.061 20 0 GIADRO C[NH+](C)CC1(C(=O)Nc2cccc(C[S@@](=O)C(C)(C)C)c2)CCCCC1 ZINC000460199552 823314310 /nfs/dbraw/zinc/31/43/10/823314310.db2.gz DBHYKKXEJZDEQZ-AREMUKBSSA-N 1 0 378.582 4.184 20 0 GIADRO CC(C)(C)[N@@H+]1CCCN(C(=O)NCc2cccc(COCc3ccco3)c2)CC1 ZINC000057612134 823314453 /nfs/dbraw/zinc/31/44/53/823314453.db2.gz GVWCLPMQEYTTMV-UHFFFAOYSA-N 1 0 399.535 4.012 20 0 GIADRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)CCc2ccc(OC(F)F)cc2)C1 ZINC000122158020 823314585 /nfs/dbraw/zinc/31/45/85/823314585.db2.gz KAHCQAIWGCGEIK-IRXDYDNUSA-N 1 0 382.495 4.095 20 0 GIADRO COc1cc(C[NH2+]CC(=O)Nc2cccc(F)c2)ccc1OCc1ccccc1 ZINC000057620833 823315715 /nfs/dbraw/zinc/31/57/15/823315715.db2.gz LZHAUYPZLQNLGT-UHFFFAOYSA-N 1 0 394.446 4.142 20 0 GIADRO CCc1ccc([C@H](CNC(=O)c2cc(O)ccc2C(F)(F)F)[NH+](C)C)cc1 ZINC000188842824 823316177 /nfs/dbraw/zinc/31/61/77/823316177.db2.gz WSTZTJJMLTZLTG-SFHVURJKSA-N 1 0 380.410 4.006 20 0 GIADRO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CC(=O)NC(C)(C)C)cc1C ZINC000057624503 823316221 /nfs/dbraw/zinc/31/62/21/823316221.db2.gz BSBQNZMMMOAATC-UHFFFAOYSA-N 1 0 390.531 4.160 20 0 GIADRO CCn1c(-c2ccccc2F)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000460204343 823316371 /nfs/dbraw/zinc/31/63/71/823316371.db2.gz URUSASRIZIHUJP-UHFFFAOYSA-N 1 0 393.510 4.205 20 0 GIADRO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H](C)c2ccc(F)cc2F)c(OC)c1 ZINC000122170847 823316627 /nfs/dbraw/zinc/31/66/27/823316627.db2.gz PDSDYYAXDVKYNX-STQMWFEESA-N 1 0 378.419 4.050 20 0 GIADRO CCc1ccc(NC(=O)C(=O)Nc2cccc3c2C[N@@H+]([C@H](C)C(C)C)C3)cc1 ZINC000188847977 823316658 /nfs/dbraw/zinc/31/66/58/823316658.db2.gz ZPIWPJLMMRHYFB-MRXNPFEDSA-N 1 0 379.504 4.186 20 0 GIADRO CC1(C)CN(C(=O)C2C[NH+](Cc3cccs3)C2)c2cc(NC3CC3)ccc21 ZINC000572304919 823316864 /nfs/dbraw/zinc/31/68/64/823316864.db2.gz PUGDTEDWVWNFHZ-UHFFFAOYSA-N 1 0 381.545 4.079 20 0 GIADRO COc1cc2[nH]c(CCC[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCCC4)cc2c(OC)c1 ZINC000122174706 823316876 /nfs/dbraw/zinc/31/68/76/823316876.db2.gz MENAIICCMUGRSF-WTOYTKOKSA-N 1 0 384.520 4.055 20 0 GIADRO COc1cc(C[NH2+]C[C@@H]2CC[C@@H](O)C2)ccc1OCc1ccc(Cl)cc1 ZINC000188848682 823316877 /nfs/dbraw/zinc/31/68/77/823316877.db2.gz ZMTBOQXTWKOHJV-VQIMIIECSA-N 1 0 375.896 4.178 20 0 GIADRO CCn1c(-c2cccc3ccccc32)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000572305473 823317017 /nfs/dbraw/zinc/31/70/17/823317017.db2.gz MZJXUBHWPWRKND-IBGZPJMESA-N 1 0 389.547 4.430 20 0 GIADRO COc1cc(C[NH+]2CCCC2)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000012670457 818175397 /nfs/dbraw/zinc/17/53/97/818175397.db2.gz SLBRAALENNWYLU-UHFFFAOYSA-N 1 0 392.858 4.101 20 0 GIADRO C[C@H]1CN(C(=O)c2cc(-c3ccc(Cl)s3)on2)CC[N@@H+](C2CCC2)C1 ZINC000572312063 823318216 /nfs/dbraw/zinc/31/82/16/823318216.db2.gz WUCMBFHXQOZLNR-GFCCVEGCSA-N 1 0 379.913 4.003 20 0 GIADRO COc1ccc([C@H](CNC(=O)Nc2cccc(OC)c2)[NH+]2CCCCC2)cc1 ZINC000013048779 818201136 /nfs/dbraw/zinc/20/11/36/818201136.db2.gz AHJQDTFQSRPJOJ-NRFANRHFSA-N 1 0 383.492 4.053 20 0 GIADRO C[C@@H](Sc1ccc(Br)cc1)C(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000176898558 823320133 /nfs/dbraw/zinc/32/01/33/823320133.db2.gz IPKYPMLSSPVOHR-GFCCVEGCSA-N 1 0 394.338 4.025 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)N(CCC(=O)OC)c2cccc(F)c2)cc1)C1CC1 ZINC000460215894 823320072 /nfs/dbraw/zinc/32/00/72/823320072.db2.gz LQMPNOCRZITOFB-UHFFFAOYSA-N 1 0 398.478 4.020 20 0 GIADRO Cc1cccc(NC(=O)[C@H](C)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c1C ZINC000572326534 823321017 /nfs/dbraw/zinc/32/10/17/823321017.db2.gz XUBZBKLAMIJRLW-PMVMPFDFSA-N 1 0 391.559 4.084 20 0 GIADRO CC[C@@H](NC(=O)NC1CC[NH+](Cc2cccc(C)c2)CC1)c1c(C)noc1C ZINC000122203422 823321095 /nfs/dbraw/zinc/32/10/95/823321095.db2.gz GDKDYMFEIBOBDX-HXUWFJFHSA-N 1 0 384.524 4.015 20 0 GIADRO Brc1ccccc1-c1ccc(C[NH2+][C@@H]2CCc3nc[nH]c3C2)cc1 ZINC000572327098 823321199 /nfs/dbraw/zinc/32/11/99/823321199.db2.gz UQYFGVLFAMDATR-MRXNPFEDSA-N 1 0 382.305 4.486 20 0 GIADRO CSc1ccccc1[C@@H](C)[NH2+][C@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O ZINC000409837617 823321347 /nfs/dbraw/zinc/32/13/47/823321347.db2.gz SEHCVCKWIKLZSZ-MLGOLLRUSA-N 1 0 382.451 4.175 20 0 GIADRO C[C@@H]([NH2+]C1(CNC(=O)NCCCc2nccs2)CCCC1)c1ccccc1 ZINC000460220301 823321702 /nfs/dbraw/zinc/32/17/02/823321702.db2.gz GRAKZSMBVMPTEX-QGZVFWFLSA-N 1 0 386.565 4.039 20 0 GIADRO Cc1cc(Br)cc(NC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000188879917 823321901 /nfs/dbraw/zinc/32/19/01/823321901.db2.gz XXMLYZDPZCZGRE-OAHLLOKOSA-N 1 0 380.330 4.097 20 0 GIADRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1ccccc1Br ZINC000014334686 818235842 /nfs/dbraw/zinc/23/58/42/818235842.db2.gz NCBQMEOAZQFUQR-QFBILLFUSA-N 1 0 385.305 4.206 20 0 GIADRO Cc1ccc(-c2nc3c(s2)[C@@H]([NH2+]Cc2cccc(C(N)=O)c2)CCC3)cc1 ZINC000122215839 823322569 /nfs/dbraw/zinc/32/25/69/823322569.db2.gz NYLYHWRDZUBVTN-SFHVURJKSA-N 1 0 377.513 4.385 20 0 GIADRO C[C@@H](NC(=O)NC[C@@H](c1cccs1)[NH+](C)C)c1ccc(-c2cccnc2)cc1 ZINC000176929447 823326741 /nfs/dbraw/zinc/32/67/41/823326741.db2.gz KIGIKEXHJMMWMJ-UZLBHIALSA-N 1 0 394.544 4.473 20 0 GIADRO Cc1ccc(C[N@H+](C[C@H](O)COC2CCOCC2)[C@@H]2CCc3ccccc32)cc1 ZINC000176913453 823323149 /nfs/dbraw/zinc/32/31/49/823323149.db2.gz HFSXEJJMACGWBA-WIOPSUGQSA-N 1 0 395.543 4.041 20 0 GIADRO CCc1ccc([C@H](c2cccnc2)N(CC)C(=O)C[N@H+](C)[C@@H]2CCSC2)cc1 ZINC000122218888 823323134 /nfs/dbraw/zinc/32/31/34/823323134.db2.gz ZOZYQYPDXZDJCJ-FYYLOGMGSA-N 1 0 397.588 4.019 20 0 GIADRO Cc1ccc(C[N@H+](C[C@@H](O)COC2CCOCC2)[C@@H]2CCc3ccccc32)cc1 ZINC000176913471 823323215 /nfs/dbraw/zinc/32/32/15/823323215.db2.gz HFSXEJJMACGWBA-RCZVLFRGSA-N 1 0 395.543 4.041 20 0 GIADRO C[NH+]1CCN(c2ccccc2NC(=O)c2cc(F)c(Cl)cc2Cl)CC1 ZINC000014635931 818255820 /nfs/dbraw/zinc/25/58/20/818255820.db2.gz QGANLPNFABORNF-UHFFFAOYSA-N 1 0 382.266 4.137 20 0 GIADRO Cc1ccc(OC[C@H](O)C[NH+]2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000014789006 818265759 /nfs/dbraw/zinc/26/57/59/818265759.db2.gz BKYJYFGLAJXYCS-GOSISDBHSA-N 1 0 382.529 4.224 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(C)cc2OCC(F)(F)F)C1 ZINC000176918853 823324364 /nfs/dbraw/zinc/32/43/64/823324364.db2.gz XGZFDYIRXKSYNF-HNNXBMFYSA-N 1 0 387.446 4.132 20 0 GIADRO C[C@@H](O)[C@@](C)(C[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1)Cc1ccccc1 ZINC000188907174 823326527 /nfs/dbraw/zinc/32/65/27/823326527.db2.gz WQEMLKIWSQRBDS-HOOSLVGPSA-N 1 0 395.547 4.251 20 0 GIADRO COc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc3ccccc3c2)cc1OC ZINC000014932771 818277848 /nfs/dbraw/zinc/27/78/48/818277848.db2.gz FDAWDASXRZEHRM-INIZCTEOSA-N 1 0 378.472 4.316 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(-c3ccc4ccccc4c3)n[nH]2)[C@@H](C)C1 ZINC000572357479 823326731 /nfs/dbraw/zinc/32/67/31/823326731.db2.gz XTXLQENVINNBMR-AOMKIAJQSA-N 1 0 376.504 4.032 20 0 GIADRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cccc(Br)c2)cc1 ZINC000572345798 823325492 /nfs/dbraw/zinc/32/54/92/823325492.db2.gz IOQIGOMANVVHSA-ZDUSSCGKSA-N 1 0 382.323 4.094 20 0 GIADRO Cc1cccc(NC(=O)[C@@H](C)[NH2+][C@@H]2CCOc3c(Br)cccc32)c1 ZINC000409849432 823325536 /nfs/dbraw/zinc/32/55/36/823325536.db2.gz IFMJXDSIUGBILL-CXAGYDPISA-N 1 0 389.293 4.198 20 0 GIADRO COC(=O)c1c(C)[nH]c(C(=O)C[N@@H+]2CCCCC[C@H]2c2ccc(OC)cc2)c1C ZINC000015105680 818290999 /nfs/dbraw/zinc/29/09/99/818290999.db2.gz YYAGRODEGSGZCP-IBGZPJMESA-N 1 0 398.503 4.227 20 0 GIADRO Cc1cc(C(=O)Nc2cc(C[NH+](C)C)ccn2)c2ccc(Br)cc2n1 ZINC000176929670 823326825 /nfs/dbraw/zinc/32/68/25/823326825.db2.gz MCPIMAASWDAACF-UHFFFAOYSA-N 1 0 399.292 4.015 20 0 GIADRO CCN(CCC[NH+]1CCCC1)C(=O)N[C@H]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000572359416 823327313 /nfs/dbraw/zinc/32/73/13/823327313.db2.gz HUKNSUHHWWOPOM-MOPGFXCFSA-N 1 0 397.567 4.107 20 0 GIADRO Cc1cc(C)c(N2CC[C@@H]([NH2+]Cc3cccc(OCCCC#N)c3)C2=O)c(C)c1 ZINC000188944991 823331822 /nfs/dbraw/zinc/33/18/22/823331822.db2.gz QMEXAUVCCVDEQL-JOCHJYFZSA-N 1 0 391.515 4.190 20 0 GIADRO CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000572362421 823327644 /nfs/dbraw/zinc/32/76/44/823327644.db2.gz KEXCBERRHUSWRU-LSTHTHJFSA-N 1 0 390.449 4.227 20 0 GIADRO Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000572364732 823328139 /nfs/dbraw/zinc/32/81/39/823328139.db2.gz QMOIXXWLSMMBES-GNXKAVGDSA-N 1 0 377.532 4.042 20 0 GIADRO COc1cccc(-c2noc([C@@H](C)NCc3[nH+]c(C(C)C)n4ccccc34)n2)c1 ZINC000572369398 823328297 /nfs/dbraw/zinc/32/82/97/823328297.db2.gz DHPIIQYZDDOUAQ-OAHLLOKOSA-N 1 0 391.475 4.367 20 0 GIADRO O=C(/C=C/c1nc2ccccc2s1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000015477094 818327566 /nfs/dbraw/zinc/32/75/66/818327566.db2.gz GOHGJOHLAVHOQA-DVQDXYAYSA-N 1 0 381.501 4.246 20 0 GIADRO O=C(COc1ccc2ccccc2c1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000015477332 818328232 /nfs/dbraw/zinc/32/82/32/818328232.db2.gz OIXYZJNXANMODE-NRFANRHFSA-N 1 0 378.472 4.155 20 0 GIADRO CCCC(=O)Nc1cccc(C[NH2+]C[C@H](O)COc2cccc3ccccc32)c1 ZINC000572393432 823332039 /nfs/dbraw/zinc/33/20/39/823332039.db2.gz JYVINWSEGAFDJZ-NRFANRHFSA-N 1 0 392.499 4.108 20 0 GIADRO C[C@@H]([NH2+]C1(CNC(=O)NCC2(C)CCCCC2)CCOCC1)c1ccccc1 ZINC000460244747 823329354 /nfs/dbraw/zinc/32/93/54/823329354.db2.gz SRFQAAHEIZCYAF-LJQANCHMSA-N 1 0 387.568 4.156 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(F)cc1Br)c1ccccc1 ZINC000057758723 823329456 /nfs/dbraw/zinc/32/94/56/823329456.db2.gz VKDROQNUKIZJGO-INIZCTEOSA-N 1 0 380.261 4.013 20 0 GIADRO Cc1ccc2c(CC(=O)NC3CC[NH+](Cc4ccccc4)CC3)coc2c1C ZINC000015564567 818338799 /nfs/dbraw/zinc/33/87/99/818338799.db2.gz LWRNKRALCNGTIJ-UHFFFAOYSA-N 1 0 376.500 4.373 20 0 GIADRO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(SC(F)(F)F)cc3)cc2)CC1 ZINC000015613261 818347919 /nfs/dbraw/zinc/34/79/19/818347919.db2.gz IYLJZCYYQZTGCV-UHFFFAOYSA-N 1 0 395.450 4.303 20 0 GIADRO Cc1cc(-c2noc(C[NH2+]C3(Cc4cccc(F)c4)CCOCC3)n2)ccc1F ZINC000572383168 823330467 /nfs/dbraw/zinc/33/04/67/823330467.db2.gz WUPSVNGWSCDGCG-UHFFFAOYSA-N 1 0 399.441 4.205 20 0 GIADRO Cc1cc(C(=O)Nc2cccc(C3CC[NH+](Cc4ccccc4)CC3)c2)nn1C ZINC000572395246 823332225 /nfs/dbraw/zinc/33/22/25/823332225.db2.gz ZPSVHJXGVFLPKW-UHFFFAOYSA-N 1 0 388.515 4.360 20 0 GIADRO CC(C)(C)C(=O)N1CCC([NH2+][C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)CC1 ZINC000188935284 823330602 /nfs/dbraw/zinc/33/06/02/823330602.db2.gz DJSAOLCTHWOWCM-MRXNPFEDSA-N 1 0 398.378 4.199 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(Cl)cc2OC(F)F)C[C@@H]1C ZINC000460255404 823332235 /nfs/dbraw/zinc/33/22/35/823332235.db2.gz XQJXYQRQSPLMER-WCQYABFASA-N 1 0 375.847 4.278 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)CCOc2ccccc2-c2ccccc2)[C@H](C)C1 ZINC000122273167 823330925 /nfs/dbraw/zinc/33/09/25/823330925.db2.gz RRUCXMLNALHPIC-KNQAVFIVSA-N 1 0 380.532 4.311 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C1(c2cccnc2)CCCC1 ZINC000572400335 823332922 /nfs/dbraw/zinc/33/29/22/823332922.db2.gz CLTBOFGTACAPLJ-HXUWFJFHSA-N 1 0 377.532 4.016 20 0 GIADRO O=C(Cc1ccc(Cl)c(Cl)c1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000015988772 818381640 /nfs/dbraw/zinc/38/16/40/818381640.db2.gz ZUXUEQLBWWAMEB-KRWDZBQOSA-N 1 0 381.303 4.472 20 0 GIADRO O=C(CCSc1ccccc1F)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000057791360 823333352 /nfs/dbraw/zinc/33/33/52/823333352.db2.gz ADKWXDOQGWBTMT-INIZCTEOSA-N 1 0 378.538 4.323 20 0 GIADRO CC(=O)Nc1ccc(C)c(-c2nc(-c3ccc(C[NH+]4CCCC4)cc3)no2)c1 ZINC000572404202 823333391 /nfs/dbraw/zinc/33/33/91/823333391.db2.gz ZPHLUMULXXBHBN-UHFFFAOYSA-N 1 0 376.460 4.266 20 0 GIADRO CCOCc1cccc(NC(=O)N(Cc2ccncc2)C[C@@H]2CCC[N@@H+]2CC)c1 ZINC000176954191 823333557 /nfs/dbraw/zinc/33/35/57/823333557.db2.gz DHBRSJIJWKIBGV-QFIPXVFZSA-N 1 0 396.535 4.137 20 0 GIADRO C[C@@H]1OCC[C@@]1(O)C[N@H+](Cc1ccccc1)Cc1cccc(-c2ccncc2)c1 ZINC000572409369 823333993 /nfs/dbraw/zinc/33/39/93/823333993.db2.gz KRJGCRMMSQWLTA-NBGIEHNGSA-N 1 0 388.511 4.291 20 0 GIADRO O=C(NC1CC1)[C@@H](c1ccccc1)[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000057799336 823334374 /nfs/dbraw/zinc/33/43/74/823334374.db2.gz GPKUHMSQGVVIPQ-OAQYLSRUSA-N 1 0 391.540 4.496 20 0 GIADRO CC[NH+](CC)[C@H](C(=O)N[C@@H](C)CC(C)(C)OC)c1cccc(C(F)(F)F)c1 ZINC000460264369 823334650 /nfs/dbraw/zinc/33/46/50/823334650.db2.gz JBANZECYUZOJHS-YOEHRIQHSA-N 1 0 388.474 4.408 20 0 GIADRO Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000188962698 823334693 /nfs/dbraw/zinc/33/46/93/823334693.db2.gz KMEQMWHTDPZHTR-HOTGVXAUSA-N 1 0 395.425 4.271 20 0 GIADRO CCc1cccc(CC)c1NC(=S)NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000016242624 818409614 /nfs/dbraw/zinc/40/96/14/818409614.db2.gz LKDGYNJIJSBPRP-HXUWFJFHSA-N 1 0 385.577 4.409 20 0 GIADRO CCOc1ccc(NC(=S)NC[C@@H](c2cccc(OC)c2)[NH+]2CCCC2)cc1 ZINC000016244943 818410380 /nfs/dbraw/zinc/41/03/80/818410380.db2.gz LNMGMAAZSNFUBF-NRFANRHFSA-N 1 0 399.560 4.217 20 0 GIADRO COc1cccc([C@@H](CNC(=S)Nc2c(C)cccc2C)[NH+]2CCCC2)c1 ZINC000016244968 818410920 /nfs/dbraw/zinc/41/09/20/818410920.db2.gz RJOPWVVJCRCRMY-HXUWFJFHSA-N 1 0 383.561 4.436 20 0 GIADRO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1csc(C(F)(F)F)n1 ZINC000188979794 823337700 /nfs/dbraw/zinc/33/77/00/823337700.db2.gz HKRRWVPBDDNDAX-GOOCMWNKSA-N 1 0 395.450 4.087 20 0 GIADRO Cc1nn(Cc2ccccc2Cl)c(C)c1CN1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000572430642 823337703 /nfs/dbraw/zinc/33/77/03/823337703.db2.gz HQUQFPZWRJQGDJ-FGZHOGPDSA-N 1 0 385.939 4.345 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1ccccc1OCc1ccc(F)cc1)c1ccccc1 ZINC000016599363 818459065 /nfs/dbraw/zinc/45/90/65/818459065.db2.gz SXSZFGBOHXGRPX-JOCHJYFZSA-N 1 0 392.474 4.437 20 0 GIADRO CCCc1c(C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cnn1-c1ccc(C)cc1 ZINC000572434984 823338629 /nfs/dbraw/zinc/33/86/29/823338629.db2.gz VOFYMFHCHYDEGB-UHFFFAOYSA-N 1 0 382.552 4.080 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)CCC(=O)c1ccc(Cl)cc1 ZINC000016783931 818477463 /nfs/dbraw/zinc/47/74/63/818477463.db2.gz SFFIAIZWIKUBLJ-UHFFFAOYSA-N 1 0 386.923 4.461 20 0 GIADRO Cc1cc2cc(NC(=O)N3CCC(CC[NH+]4C[C@H](C)O[C@@H](C)C4)CC3)ccc2[nH]1 ZINC000176978122 823340514 /nfs/dbraw/zinc/34/05/14/823340514.db2.gz NRNBCMQKDJNLJM-ROUUACIJSA-N 1 0 398.551 4.220 20 0 GIADRO CN(C)c1cc(Cl)cc(Cl)c1C[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000572447063 823341067 /nfs/dbraw/zinc/34/10/67/823341067.db2.gz VUDYWQMYXCNVRO-CXAGYDPISA-N 1 0 375.365 4.204 20 0 GIADRO Cc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C2CCN(C)CC2)cc1C ZINC000017314079 818508399 /nfs/dbraw/zinc/50/83/99/818508399.db2.gz UCCIYMKNYMKQLN-UHFFFAOYSA-N 1 0 388.559 4.399 20 0 GIADRO Fc1ccc(-c2ccc(C[NH2+]C[C@H]3CN(Cc4ccccc4)CCO3)o2)cc1 ZINC000017312308 818508784 /nfs/dbraw/zinc/50/87/84/818508784.db2.gz BUUYTBCWVGRGQJ-QFIPXVFZSA-N 1 0 380.463 4.076 20 0 GIADRO Cc1oc(-c2ccccc2)nc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000017362905 818512644 /nfs/dbraw/zinc/51/26/44/818512644.db2.gz MEYGLAOAURNBJD-UHFFFAOYSA-N 1 0 375.472 4.044 20 0 GIADRO CC1CC[NH+]([C@@H](CNC(=O)N2CCC[C@@H]2c2cccn2C)c2ccccc2)CC1 ZINC000057855120 823342030 /nfs/dbraw/zinc/34/20/30/823342030.db2.gz DKFDWYOAFKCHJS-PKTZIBPZSA-N 1 0 394.563 4.345 20 0 GIADRO O=C(NCc1ncoc1-c1ccccc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000572453962 823342694 /nfs/dbraw/zinc/34/26/94/823342694.db2.gz HJICQVARIUHOJS-UHFFFAOYSA-N 1 0 375.472 4.258 20 0 GIADRO CN(Cc1ccccc1OC(F)(F)F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000122361150 823343658 /nfs/dbraw/zinc/34/36/58/823343658.db2.gz ZLNAWCYTDBINHY-UHFFFAOYSA-N 1 0 393.453 4.119 20 0 GIADRO COc1ccc([C@H](CNC(=O)c2cc(C)nc3ccccc32)[NH+]2CCCC2)cc1 ZINC000017911623 818532753 /nfs/dbraw/zinc/53/27/53/818532753.db2.gz GORZGZWRPSTPBQ-QHCPKHFHSA-N 1 0 389.499 4.119 20 0 GIADRO C[C@@H](C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)c1ccc(Cl)s1 ZINC000189025007 823343748 /nfs/dbraw/zinc/34/37/48/823343748.db2.gz VWRZDNFMWPEXGL-IXPVHAAZSA-N 1 0 384.879 4.045 20 0 GIADRO C[C@@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)N1CCC[N@@H+](C2CC2)CC1 ZINC000176989386 823343788 /nfs/dbraw/zinc/34/37/88/823343788.db2.gz UIOLYWKZBCTTSU-LBPRGKRZSA-N 1 0 381.307 4.275 20 0 GIADRO CC[C@@H](CC1CCCCC1)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000176992232 823344540 /nfs/dbraw/zinc/34/45/40/823344540.db2.gz CMSBLDRLMSVPEH-FQEVSTJZSA-N 1 0 386.580 4.256 20 0 GIADRO C[C@H](C(=O)Nc1cc(Cl)ccc1F)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000057889412 823345211 /nfs/dbraw/zinc/34/52/11/823345211.db2.gz RDZIOBXUQGYARQ-MRXNPFEDSA-N 1 0 395.950 4.394 20 0 GIADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=S)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000018164539 818553080 /nfs/dbraw/zinc/55/30/80/818553080.db2.gz LPOSPEBBUILYHO-NRFANRHFSA-N 1 0 399.560 4.122 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cc(O)ccc2C(F)(F)F)CC1 ZINC000189034512 823345552 /nfs/dbraw/zinc/34/55/52/823345552.db2.gz QQQFBQNWXVEUCW-CQSZACIVSA-N 1 0 392.421 4.366 20 0 GIADRO COc1cccc([C@@H](CNC(=O)Nc2ccc(Cl)c(Cl)c2)[NH+](C)C)c1 ZINC000018180191 818554594 /nfs/dbraw/zinc/55/45/94/818554594.db2.gz HZNTYQXASIIZNM-QGZVFWFLSA-N 1 0 382.291 4.426 20 0 GIADRO COc1cccc([C@H](CNC(=O)Nc2ccc(Cl)c(Cl)c2)[NH+](C)C)c1 ZINC000018180194 818554794 /nfs/dbraw/zinc/55/47/94/818554794.db2.gz HZNTYQXASIIZNM-KRWDZBQOSA-N 1 0 382.291 4.426 20 0 GIADRO COC1([C@@H](C)[NH2+]CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)CCC1 ZINC000412021603 823623320 /nfs/dbraw/zinc/62/33/20/823623320.db2.gz MWNQCSHGWONPCD-DYVFJYSZSA-N 1 0 385.335 4.204 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)CCc2cccc(N(C)C)c2)CC1 ZINC000189034430 823345710 /nfs/dbraw/zinc/34/57/10/823345710.db2.gz HXXWDVMPEKYLPG-IBGZPJMESA-N 1 0 379.548 4.027 20 0 GIADRO COc1cccc(C2(C[NH2+][C@H](CCn3cncn3)c3ccc(C)cc3)CC2)c1 ZINC000572471395 823346292 /nfs/dbraw/zinc/34/62/92/823346292.db2.gz VCSGGGNJWJIUSU-JOCHJYFZSA-N 1 0 376.504 4.048 20 0 GIADRO O=C(c1ccccc1F)N1CCC([NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000189041118 823346639 /nfs/dbraw/zinc/34/66/39/823346639.db2.gz WECALYSQGMSWII-FPOVZHCZSA-N 1 0 380.507 4.431 20 0 GIADRO C[C@H](c1cccc(NC(=O)CC[C@@H]([NH3+])CC2CCCCC2)c1)N1CCOCC1 ZINC000572479755 823347373 /nfs/dbraw/zinc/34/73/73/823347373.db2.gz IDRPIBKFSVHGDM-WIYYLYMNSA-N 1 0 387.568 4.096 20 0 GIADRO CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000460309051 823348065 /nfs/dbraw/zinc/34/80/65/823348065.db2.gz SMDVZOXKTMQNFE-HIFRSBDPSA-N 1 0 394.350 4.335 20 0 GIADRO O=C(c1csc(-c2ccc(Cl)cc2Cl)n1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000572487124 823348535 /nfs/dbraw/zinc/34/85/35/823348535.db2.gz XHRNSCSVTVBXGD-GOSISDBHSA-N 1 0 396.343 4.333 20 0 GIADRO C[C@H](NCc1ccccc1OCC[NH+](C)C)c1ccc(F)cc1OC(F)F ZINC000122395084 823348640 /nfs/dbraw/zinc/34/86/40/823348640.db2.gz DFQSBFYJLNOFBQ-AWEZNQCLSA-N 1 0 382.426 4.218 20 0 GIADRO C[C@@H](NC(=O)c1c[nH]nc1-c1cc2ccccc2o1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000189051627 823348743 /nfs/dbraw/zinc/34/87/43/823348743.db2.gz HLQCKQNVHQBYNB-WBVHZDCISA-N 1 0 392.503 4.206 20 0 GIADRO CC[C@@H]([NH2+]Cc1cnn(Cc2ccc(F)cc2)c1)c1ccc2c(c1)OCCO2 ZINC000189070747 823351976 /nfs/dbraw/zinc/35/19/76/823351976.db2.gz MCJPHQKXEHWZHU-HXUWFJFHSA-N 1 0 381.451 4.083 20 0 GIADRO Cc1ccccc1C1(C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)CCOCC1 ZINC000189079670 823353611 /nfs/dbraw/zinc/35/36/11/823353611.db2.gz FCBZEHDWBSLXRG-UHFFFAOYSA-N 1 0 393.506 4.217 20 0 GIADRO C[C@H](Cc1cnccn1)[NH2+][C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000572505834 823351098 /nfs/dbraw/zinc/35/10/98/823351098.db2.gz HAZUXWRKEKXTNF-FOIQADDNSA-N 1 0 397.320 4.139 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)C(=O)NC1CCCCCC1)C1CCCCC1 ZINC000057962729 823351090 /nfs/dbraw/zinc/35/10/90/823351090.db2.gz QHICXKPOZANVNW-UHFFFAOYSA-N 1 0 385.552 4.229 20 0 GIADRO OCC1(c2ccccc2)CC[NH+](Cc2cc(F)ccc2Br)CC1 ZINC000572506706 823351200 /nfs/dbraw/zinc/35/12/00/823351200.db2.gz JYDQLSLYPUHMPM-UHFFFAOYSA-N 1 0 378.285 4.114 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1cc(-c2cccs2)on1 ZINC000021410783 818684720 /nfs/dbraw/zinc/68/47/20/818684720.db2.gz DSAQOVJMOBDTPJ-UHFFFAOYSA-N 1 0 381.501 4.319 20 0 GIADRO CC(C)CC(=O)N1CCC([NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000189094047 823356443 /nfs/dbraw/zinc/35/64/43/823356443.db2.gz JARZBEZQLRPZJC-UHFFFAOYSA-N 1 0 376.850 4.486 20 0 GIADRO Cc1nc(CC2CC2)sc1C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000189125209 823361037 /nfs/dbraw/zinc/36/10/37/823361037.db2.gz AAQFYYQFRGBCTM-UHFFFAOYSA-N 1 0 398.576 4.187 20 0 GIADRO O=C([C@H]1CCCC(F)(F)C1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000409969582 823358268 /nfs/dbraw/zinc/35/82/68/823358268.db2.gz DAFKYZJNZOELTQ-PZJWPPBQSA-N 1 0 376.491 4.327 20 0 GIADRO COCc1cccc(NC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)c1 ZINC000058058723 823358459 /nfs/dbraw/zinc/35/84/59/823358459.db2.gz MCSKQMLKAFPCTF-UHFFFAOYSA-N 1 0 389.499 4.336 20 0 GIADRO O=C([C@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1)N1CCCCC1 ZINC000021702861 818728175 /nfs/dbraw/zinc/72/81/75/818728175.db2.gz IKJBSSIQAXQMEI-XMMPIXPASA-N 1 0 391.559 4.126 20 0 GIADRO Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000122467972 823358823 /nfs/dbraw/zinc/35/88/23/823358823.db2.gz NXFJNNPPDHIFLT-MRXNPFEDSA-N 1 0 380.602 4.398 20 0 GIADRO Cc1ccc(CNC(=O)c2nnc(C[NH2+][C@H]3CCCC[C@@H]3C(C)C)s2)cc1 ZINC000460352527 823361332 /nfs/dbraw/zinc/36/13/32/823361332.db2.gz VVWGAQGRPLMTBX-MSOLQXFVSA-N 1 0 386.565 4.081 20 0 GIADRO C[C@H](CCCOc1ccccc1C(N)=O)[NH2+][C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000122471005 823359193 /nfs/dbraw/zinc/35/91/93/823359193.db2.gz IISQZEBVBCCUJQ-CABCVRRESA-N 1 0 389.565 4.438 20 0 GIADRO CCCCCN(C)c1ccc(F)cc1C[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000122473037 823359459 /nfs/dbraw/zinc/35/94/59/823359459.db2.gz CSIJFKMWZLCBJI-UHFFFAOYSA-N 1 0 389.559 4.287 20 0 GIADRO C[C@@H](CCCOc1ccccc1C(N)=O)[NH2+][C@@H](c1ccccc1)c1ccncc1 ZINC000122473144 823359597 /nfs/dbraw/zinc/35/95/97/823359597.db2.gz FFHRAYXCFOHHHZ-MBSDFSHPSA-N 1 0 389.499 4.107 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)C[C@H](C)c3c(C)noc3C)C2)s1 ZINC000572556189 823360101 /nfs/dbraw/zinc/36/01/01/823360101.db2.gz AXBIQTRAIHYEJQ-KBXCAEBGSA-N 1 0 389.565 4.135 20 0 GIADRO Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]CCc1cccc(C(=O)N(C)C)c1 ZINC000122479413 823360406 /nfs/dbraw/zinc/36/04/06/823360406.db2.gz DBCRPTHANPYKDD-FQEVSTJZSA-N 1 0 386.923 4.396 20 0 GIADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(C)(C)c2csc(-c3cccs3)n2)C1 ZINC000409977795 823360618 /nfs/dbraw/zinc/36/06/18/823360618.db2.gz GSKWZETYMFRSBS-GJZGRUSLSA-N 1 0 389.590 4.092 20 0 GIADRO Cc1cc(C)c(C[NH2+]Cc2cccc(N3C(=O)NC4(CCCC4)C3=O)c2)cc1C ZINC000572566664 823362390 /nfs/dbraw/zinc/36/23/90/823362390.db2.gz WUCIGSXCTKVKBW-UHFFFAOYSA-N 1 0 391.515 4.271 20 0 GIADRO CC[C@H](CNC(=O)Nc1ccc(N(C)C)c(C)c1)[N@@H+]1CCc2ccccc2C1 ZINC000058123766 823363366 /nfs/dbraw/zinc/36/33/66/823363366.db2.gz KNSIKAUOQPVMGM-OAQYLSRUSA-N 1 0 380.536 4.019 20 0 GIADRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2nc3ccccc3s2)C1 ZINC000177067695 823363647 /nfs/dbraw/zinc/36/36/47/823363647.db2.gz KEHZUDVYDLNTCB-HUUCEWRRSA-N 1 0 375.538 4.422 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(OC)cc3)nc2)C1 ZINC000177067180 823363764 /nfs/dbraw/zinc/36/37/64/823363764.db2.gz YHMUPXFSITWEFC-QGZVFWFLSA-N 1 0 398.507 4.078 20 0 GIADRO CC1CC[NH+](C2CCC(NC(=O)[C@H]3SCCc4sccc43)CC2)CC1 ZINC000122503616 823364233 /nfs/dbraw/zinc/36/42/33/823364233.db2.gz FBLNLCYWUGIOLI-RJYAGPCLSA-N 1 0 378.607 4.238 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(NC(=O)C2CCC2)c1)c1ccc(N2CCCC2=O)cc1 ZINC000122503585 823364258 /nfs/dbraw/zinc/36/42/58/823364258.db2.gz NTLZXFWTPRWVJM-KRWDZBQOSA-N 1 0 391.515 4.403 20 0 GIADRO CC(C)[N@@H+](Cc1ccc(NC(=O)[C@H]2O[C@H](C)C[C@@H]2C)cc1)C[C@@H]1CCCCO1 ZINC000409998543 823367226 /nfs/dbraw/zinc/36/72/26/823367226.db2.gz MNMFCYLFUOERPS-UDKICSLYSA-N 1 0 388.552 4.218 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)NCCCCOc1ccc(Cl)cc1)c1cccs1 ZINC000022428093 818805073 /nfs/dbraw/zinc/80/50/73/818805073.db2.gz UFPPVTBEVTWXPL-KRWDZBQOSA-N 1 0 395.956 4.163 20 0 GIADRO O=C(NCc1nc2ccccc2s1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000022429288 818805864 /nfs/dbraw/zinc/80/58/64/818805864.db2.gz PJVZIDXMGWVZIP-UHFFFAOYSA-N 1 0 394.544 4.282 20 0 GIADRO O=C(CCSc1ccc(F)cc1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000022444244 818807235 /nfs/dbraw/zinc/80/72/35/818807235.db2.gz MHNNUCNZMLAMOH-SFHVURJKSA-N 1 0 376.497 4.244 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)Nc2cc(F)c(F)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000177084843 823367247 /nfs/dbraw/zinc/36/72/47/823367247.db2.gz ZDCKTOKVLGNZPN-UKRRQHHQSA-N 1 0 377.410 4.279 20 0 GIADRO CC(C)[N@@H+](Cc1ccc(NC(=O)[C@@H]2O[C@H](C)C[C@@H]2C)cc1)C[C@@H]1CCCCO1 ZINC000409998539 823367256 /nfs/dbraw/zinc/36/72/56/823367256.db2.gz MNMFCYLFUOERPS-GKJHBJHPSA-N 1 0 388.552 4.218 20 0 GIADRO CCCCOc1ccc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1OC ZINC000022463279 818810530 /nfs/dbraw/zinc/81/05/30/818810530.db2.gz MJWPNEVBXGEXFU-OAQYLSRUSA-N 1 0 396.531 4.441 20 0 GIADRO CCc1cc(C(=O)Nc2cc(C[NH+](C)C)ccn2)c2c(CC(C)(C)C)noc2n1 ZINC000409993599 823365515 /nfs/dbraw/zinc/36/55/15/823365515.db2.gz RTCMYLGGAVOKRS-UHFFFAOYSA-N 1 0 395.507 4.083 20 0 GIADRO C[C@H]1C[C@@H](c2cccnc2)[N@H+](Cc2cccc(C(=O)NCc3ccco3)c2)C1 ZINC000460366955 823365578 /nfs/dbraw/zinc/36/55/78/823365578.db2.gz UGEWPSXHFSBGJH-JTSKRJEESA-N 1 0 375.472 4.188 20 0 GIADRO O=C(CCN1c2ccccc2Sc2ccccc21)NC1CC[NH+](C2CC2)CC1 ZINC000022603022 818832113 /nfs/dbraw/zinc/83/21/13/818832113.db2.gz CWTNMOPUNPIMCS-UHFFFAOYSA-N 1 0 393.556 4.422 20 0 GIADRO Cc1c2cc(Br)ccc2oc1C(=O)NCC[NH+](C(C)C)C(C)C ZINC000022622961 818835613 /nfs/dbraw/zinc/83/56/13/818835613.db2.gz AQZNBGVDIJXGNO-UHFFFAOYSA-N 1 0 381.314 4.352 20 0 GIADRO Cc1nc2ccccc2nc1C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000177060818 823361863 /nfs/dbraw/zinc/36/18/63/823361863.db2.gz UMMGLHJZGVORJW-NVXWUHKLSA-N 1 0 384.524 4.063 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)Cc1ccc2ccccc2c1)[NH+]1CCCC1 ZINC000022679653 818842149 /nfs/dbraw/zinc/84/21/49/818842149.db2.gz XYUGLCRGWNXYPL-QHCPKHFHSA-N 1 0 388.511 4.344 20 0 GIADRO O=C(c1cc(Cl)ccc1OC1CCCC1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000572599562 823367871 /nfs/dbraw/zinc/36/78/71/823367871.db2.gz CCEJJLHFCMYPIK-HZPDHXFCSA-N 1 0 376.928 4.123 20 0 GIADRO CC[NH+](CC)CCOc1ccc(CNC(=O)c2ccc(Cl)cc2F)cc1 ZINC000058193034 823368205 /nfs/dbraw/zinc/36/82/05/823368205.db2.gz NDORTJXCGAXVLE-UHFFFAOYSA-N 1 0 378.875 4.130 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)CSc1nc2ccccc2s1)C1CCCCC1 ZINC000058191500 823368304 /nfs/dbraw/zinc/36/83/04/823368304.db2.gz DCHUCSJTHHDGQA-MRXNPFEDSA-N 1 0 377.579 4.015 20 0 GIADRO COc1ccc2c(c1F)CC[C@H]2[NH2+]Cc1cccc(COC2CCOCC2)c1 ZINC000572639590 823373040 /nfs/dbraw/zinc/37/30/40/823373040.db2.gz NTDMAHUSWXCISJ-OAQYLSRUSA-N 1 0 385.479 4.307 20 0 GIADRO COc1cc(C[NH2+]CCOc2ccccc2)ccc1OCc1c(C)noc1C ZINC000022778203 818859702 /nfs/dbraw/zinc/85/97/02/818859702.db2.gz NUZMQBZBTOHDIQ-UHFFFAOYSA-N 1 0 382.460 4.048 20 0 GIADRO COc1cc(C[NH2+][C@@H](C)c2ccc(Br)cc2)cc2c1OCCO2 ZINC000022783882 818860723 /nfs/dbraw/zinc/86/07/23/818860723.db2.gz NYCKADCDWIHAHK-LBPRGKRZSA-N 1 0 378.266 4.080 20 0 GIADRO COc1ccc([C@@H]([NH2+]Cc2cc3c(c(OC)c2)OCO3)c2ccccc2)cc1 ZINC000022790852 818861347 /nfs/dbraw/zinc/86/13/47/818861347.db2.gz QREMABJANKAOCJ-QFIPXVFZSA-N 1 0 377.440 4.312 20 0 GIADRO COc1cccc([C@H](CNC(=O)CCCOc2ccccc2C)[NH+]2CCCC2)c1 ZINC000022869530 818868411 /nfs/dbraw/zinc/86/84/11/818868411.db2.gz MQUCMPNEOCXSSB-QFIPXVFZSA-N 1 0 396.531 4.116 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccccc1OC[C@H]1CCCO1)c1ccccc1 ZINC000022870949 818868531 /nfs/dbraw/zinc/86/85/31/818868531.db2.gz KQJWVEGMHYVVFD-IRLDBZIGSA-N 1 0 396.531 4.057 20 0 GIADRO CC(C)[C@H]([NH2+]Cc1ncc(-c2cccc(Br)c2)o1)C1(CO)CCC1 ZINC000572614465 823369716 /nfs/dbraw/zinc/36/97/16/823369716.db2.gz VJVLSRYGKJUHAG-SFHVURJKSA-N 1 0 393.325 4.381 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)c2ccccc2NCc2cccnc2)c1 ZINC000177100373 823370892 /nfs/dbraw/zinc/37/08/92/823370892.db2.gz ZXAOWRUJVYEABP-UHFFFAOYSA-N 1 0 388.515 4.075 20 0 GIADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)/C=C/c2cccs2)CC1 ZINC000023139534 818903676 /nfs/dbraw/zinc/90/36/76/818903676.db2.gz KOMHPWHQHVHDTF-SOFGYWHQSA-N 1 0 375.925 4.195 20 0 GIADRO CC[NH+](CC)CCOc1ccc(CNC(=O)c2cc(F)c(F)cc2Cl)cc1 ZINC000058257040 823371867 /nfs/dbraw/zinc/37/18/67/823371867.db2.gz KJOYNANFFHXOFF-UHFFFAOYSA-N 1 0 396.865 4.269 20 0 GIADRO CC[NH+](CC)CCOc1ccc(CNC(=O)c2cc3ccc(C)cc3[nH]2)cc1 ZINC000058259295 823372191 /nfs/dbraw/zinc/37/21/91/823372191.db2.gz PHYKLVSHESGCRD-UHFFFAOYSA-N 1 0 379.504 4.127 20 0 GIADRO Clc1ccc(C2(C[NH2+]Cc3ccc(N4CCCC4)nc3)CCOCC2)cc1 ZINC000177104832 823372434 /nfs/dbraw/zinc/37/24/34/823372434.db2.gz YNOJPCHFBVFRLH-UHFFFAOYSA-N 1 0 385.939 4.173 20 0 GIADRO CCCCOc1ccc(-c2nnc(C[N@@H+]3CCC[C@H]3[C@@H]3CCCOC3)o2)cc1 ZINC000572636856 823372580 /nfs/dbraw/zinc/37/25/80/823372580.db2.gz FEILNJPLOPUQQF-QUCCMNQESA-N 1 0 385.508 4.307 20 0 GIADRO Fc1ccc(-n2cc(C[NH2+]CCc3nc4ccccc4s3)nn2)cc1Cl ZINC000572636696 823372607 /nfs/dbraw/zinc/37/26/07/823372607.db2.gz XMHXKMBMHXZHPG-UHFFFAOYSA-N 1 0 387.871 4.002 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1C(=O)NCCC[NH+]1CCCCCC1 ZINC000023237018 818916116 /nfs/dbraw/zinc/91/61/16/818916116.db2.gz PHLUFGOVPCRPBE-UHFFFAOYSA-N 1 0 375.513 4.254 20 0 GIADRO O=C(CCC(=O)N1CCC([NH+]2CCCCC2)CC1)c1ccc2ccccc2c1 ZINC000058268952 823372901 /nfs/dbraw/zinc/37/29/01/823372901.db2.gz VVZNLBZUJRUTIQ-UHFFFAOYSA-N 1 0 378.516 4.280 20 0 GIADRO COc1ccccc1Oc1ccc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000177110302 823373787 /nfs/dbraw/zinc/37/37/87/823373787.db2.gz CAPYIMPLZNOIJD-SJLPKXTDSA-N 1 0 381.476 4.188 20 0 GIADRO CCOc1ccc(Oc2ccc(NC(=O)N3CC[NH+](CC4CC4)CC3)cc2)cc1 ZINC000410026627 823373998 /nfs/dbraw/zinc/37/39/98/823373998.db2.gz QHZXHCVNOWJTBE-UHFFFAOYSA-N 1 0 395.503 4.437 20 0 GIADRO C[N@@H+](Cc1ccc(OC(F)F)cc1)C[C@H](O)COc1cccc2ccccc21 ZINC000023390130 818932301 /nfs/dbraw/zinc/93/23/01/818932301.db2.gz FVULLGHWSQSJDU-SFHVURJKSA-N 1 0 387.426 4.313 20 0 GIADRO CC(=O)c1cccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccc(Cl)cc2Cl)c1 ZINC000023409661 818935491 /nfs/dbraw/zinc/93/54/91/818935491.db2.gz CRCKTXKSKUHYMQ-LRDDRELGSA-N 1 0 382.287 4.287 20 0 GIADRO CC(C)c1c(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cnn1-c1cccc(Cl)c1 ZINC000177116189 823374913 /nfs/dbraw/zinc/37/49/13/823374913.db2.gz PNIZBALSPHVLQI-GDBMZVCRSA-N 1 0 386.927 4.004 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(COC)o1)c1ccc(C(F)(F)F)cc1 ZINC000122574612 823375166 /nfs/dbraw/zinc/37/51/66/823375166.db2.gz QIJBKCDHZHUVQA-KRWDZBQOSA-N 1 0 398.425 4.258 20 0 GIADRO Cc1cc(C[NH2+]Cc2cccc(N3C(=O)NC4(CCCC4)C3=O)c2)ccc1Cl ZINC000572651818 823375674 /nfs/dbraw/zinc/37/56/74/823375674.db2.gz UGIXMIIJSAHYIO-UHFFFAOYSA-N 1 0 397.906 4.307 20 0 GIADRO CCOc1cc(C[NH2+]Cc2cc(F)ccc2OC)ccc1OCC(F)(F)F ZINC000189206499 823375737 /nfs/dbraw/zinc/37/57/37/823375737.db2.gz HUFRONWTJKEWLR-UHFFFAOYSA-N 1 0 387.373 4.464 20 0 GIADRO C[NH+](C)CCN(C(=O)CSCc1coc(-c2ccccc2)n1)c1ccccc1 ZINC000058297259 823375762 /nfs/dbraw/zinc/37/57/62/823375762.db2.gz UVSDRHWOGMPGHY-UHFFFAOYSA-N 1 0 395.528 4.170 20 0 GIADRO Cc1cc(Cl)ccc1NC(=O)CN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000572651926 823375852 /nfs/dbraw/zinc/37/58/52/823375852.db2.gz ZNRMTDSGOLROGP-PMACEKPBSA-N 1 0 397.950 4.041 20 0 GIADRO O[C@H](C[C@@H]1CCC[N@@H+]1Cc1ccc(OCc2ccncc2)cc1)c1ccco1 ZINC000177121291 823376134 /nfs/dbraw/zinc/37/61/34/823376134.db2.gz WXFRILAVMNUGJQ-RBBKRZOGSA-N 1 0 378.472 4.342 20 0 GIADRO O[C@H](C[C@H]1CCC[N@@H+]1Cc1ccc(OCc2ccncc2)cc1)c1ccco1 ZINC000177121324 823376299 /nfs/dbraw/zinc/37/62/99/823376299.db2.gz WXFRILAVMNUGJQ-IFMALSPDSA-N 1 0 378.472 4.342 20 0 GIADRO O=C(CCN1c2ccccc2Sc2ccccc21)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000058298755 823376246 /nfs/dbraw/zinc/37/62/46/823376246.db2.gz QUUCSOLQURXZHD-ROUUACIJSA-N 1 0 393.556 4.422 20 0 GIADRO C[C@H](NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)[C@@H](C)c1ccccc1 ZINC000460399387 823376854 /nfs/dbraw/zinc/37/68/54/823376854.db2.gz IUPKTVAOSATAHF-CDPNLFKUSA-N 1 0 391.559 4.342 20 0 GIADRO CCOC(=O)c1cccc(OC[C@@H](O)C[NH2+][C@@H](C)c2cccc3ccccc32)c1 ZINC000023676697 818972578 /nfs/dbraw/zinc/97/25/78/818972578.db2.gz VIWGJQDVILMTBS-PXNSSMCTSA-N 1 0 393.483 4.107 20 0 GIADRO COc1cc(C(C)=O)ccc1OC[C@H](O)C[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000023676562 818972589 /nfs/dbraw/zinc/97/25/89/818972589.db2.gz LLHUAVIWRYPCFH-OXJNMPFZSA-N 1 0 393.483 4.142 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)/C=C/c1ccc(Cl)cc1)[NH+]1CCCC1 ZINC000023691997 818974255 /nfs/dbraw/zinc/97/42/55/818974255.db2.gz TVHJAOPLGMOVCY-XEDBTPMOSA-N 1 0 384.907 4.315 20 0 GIADRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1cc(F)ccc1Br ZINC000023740664 818977854 /nfs/dbraw/zinc/97/78/54/818977854.db2.gz DEWAQEOIDXODLI-GOSISDBHSA-N 1 0 391.284 4.155 20 0 GIADRO C[NH+](C)Cc1ccc(NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)cc1 ZINC000023899728 818991823 /nfs/dbraw/zinc/99/18/23/818991823.db2.gz GZNDGOXDOOWJOW-UHFFFAOYSA-N 1 0 385.414 4.253 20 0 GIADRO COCCCOc1cccc(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000177133287 823379019 /nfs/dbraw/zinc/37/90/19/823379019.db2.gz LFGAIWBJSPAUCX-UHFFFAOYSA-N 1 0 389.540 4.021 20 0 GIADRO CC[NH+]1CCN(CC(=O)Nc2ccc(Sc3ccc(C)cc3C)cc2)CC1 ZINC000023991182 819003293 /nfs/dbraw/zinc/00/32/93/819003293.db2.gz WJCCYQDHAVVRKD-UHFFFAOYSA-N 1 0 383.561 4.031 20 0 GIADRO CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)CCC(=O)c1cccs1 ZINC000410047278 823379329 /nfs/dbraw/zinc/37/93/29/823379329.db2.gz GSRODNACCSNUKS-NRFANRHFSA-N 1 0 398.572 4.300 20 0 GIADRO COCc1c(C(=O)NCc2ccc(C[NH+](C)C)cc2)sc2cccc(F)c21 ZINC000024067175 819017789 /nfs/dbraw/zinc/01/77/89/819017789.db2.gz GUWHBGLUOBWAKJ-UHFFFAOYSA-N 1 0 386.492 4.178 20 0 GIADRO CC(C)c1cc(C(=O)NCc2ccc(C[NH+](C)C)cc2)c2cnn(C(C)C)c2n1 ZINC000024067079 819017799 /nfs/dbraw/zinc/01/77/99/819017799.db2.gz BFFRTHYQMNLXCK-UHFFFAOYSA-N 1 0 393.535 4.127 20 0 GIADRO Cc1ccc(-c2nc(CC(=O)NCc3ccccc3C[NH+](C)C)cs2)cc1 ZINC000024084719 819021231 /nfs/dbraw/zinc/02/12/31/819021231.db2.gz WAVCSRUVTFKMTB-UHFFFAOYSA-N 1 0 379.529 4.039 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1ccc(-n2cnc3ccccc32)cc1)c1cccs1 ZINC000024094423 819022889 /nfs/dbraw/zinc/02/28/89/819022889.db2.gz RGFSZHBRHMMSHE-FQEVSTJZSA-N 1 0 390.512 4.120 20 0 GIADRO CCOc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1OCC ZINC000024189801 819030959 /nfs/dbraw/zinc/03/09/59/819030959.db2.gz MDUSWVPDPBKGCI-UHFFFAOYSA-N 1 0 382.504 4.010 20 0 GIADRO C[C@H](CCc1cccn1C)[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000122612503 823381313 /nfs/dbraw/zinc/38/13/13/823381313.db2.gz YOKCMJRTBKOGRS-CABCVRRESA-N 1 0 381.442 4.372 20 0 GIADRO C[C@H]([NH2+]C(c1ccccc1)c1ccccc1)C(=O)NC(=O)Nc1ccccc1F ZINC000024256421 819040260 /nfs/dbraw/zinc/04/02/60/819040260.db2.gz GDWKOTNDDPUXKC-INIZCTEOSA-N 1 0 391.446 4.242 20 0 GIADRO COc1ccc2c(c1)C1(CC1)C[N@@H+](C[C@@H](O)COc1ccccc1C(C)C)C2 ZINC000572685006 823382731 /nfs/dbraw/zinc/38/27/31/823382731.db2.gz AWGJOFCQQUJNNJ-LJQANCHMSA-N 1 0 381.516 4.106 20 0 GIADRO COc1ccc2[nH]c(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)cc2c1 ZINC000189271063 823384280 /nfs/dbraw/zinc/38/42/80/823384280.db2.gz ITBFJGKPYWAAHU-IHWFROFDSA-N 1 0 389.499 4.102 20 0 GIADRO O=C(Nc1cc(F)ccc1-n1cccn1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000122620325 823382999 /nfs/dbraw/zinc/38/29/99/823382999.db2.gz NDGDEPQQTFAGND-UHFFFAOYSA-N 1 0 399.514 4.131 20 0 GIADRO CC(C)n1ncc2cc(C[N@@H+](Cc3ccccc3)C[C@H](O)c3ccco3)cnc21 ZINC000177152151 823384344 /nfs/dbraw/zinc/38/43/44/823384344.db2.gz XAMVWGSMXMFBQX-NRFANRHFSA-N 1 0 390.487 4.341 20 0 GIADRO CC(C)n1ncc2cc(C[N@@H+](Cc3ccccc3)C[C@@H](O)c3ccco3)cnc21 ZINC000177152168 823384521 /nfs/dbraw/zinc/38/45/21/823384521.db2.gz XAMVWGSMXMFBQX-OAQYLSRUSA-N 1 0 390.487 4.341 20 0 GIADRO CCCN(CCC[NH+](C)C)C(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)(C)C ZINC000189273377 823384871 /nfs/dbraw/zinc/38/48/71/823384871.db2.gz BQDXJUZQINHLSF-UHFFFAOYSA-N 1 0 399.583 4.176 20 0 GIADRO O=C(CC[N@H+](Cc1ccccc1)C[C@H](O)c1ccco1)Nc1ccccc1Cl ZINC000177155391 823385831 /nfs/dbraw/zinc/38/58/31/823385831.db2.gz JIZCGJZUGUIFIA-FQEVSTJZSA-N 1 0 398.890 4.497 20 0 GIADRO C[N@H+](CCOc1ccc(-c2noc([C@H]3CCCO3)n2)cc1)Cc1ccc(F)cc1 ZINC000189280575 823385770 /nfs/dbraw/zinc/38/57/70/823385770.db2.gz ACPZLKGIGPNBLG-HXUWFJFHSA-N 1 0 397.450 4.238 20 0 GIADRO CCS[C@@H]1CC[C@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000177157203 823386249 /nfs/dbraw/zinc/38/62/49/823386249.db2.gz PIEUWGGDUTUPDF-VQTJNVASSA-N 1 0 375.582 4.098 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2ccc(Br)s2)CC1 ZINC000058399289 823386219 /nfs/dbraw/zinc/38/62/19/823386219.db2.gz ITIQTHKXRNUEJN-UHFFFAOYSA-N 1 0 393.350 4.213 20 0 GIADRO C[C@@H]([NH2+]Cc1cc2ccccc2[nH]c1=O)[C@H](OC1CCOCC1)c1ccccc1 ZINC000122644435 823386747 /nfs/dbraw/zinc/38/67/47/823386747.db2.gz BGOYCQVCLCQOPE-HXOBKFHXSA-N 1 0 392.499 4.355 20 0 GIADRO O=C(Nc1ccc2nc(C3CC3)oc2c1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000177166789 823389141 /nfs/dbraw/zinc/38/91/41/823389141.db2.gz IVRTVXHNDHJZRK-UHFFFAOYSA-N 1 0 382.508 4.481 20 0 GIADRO CC[NH+](CC)CCOc1ccc(NC(=O)c2c(C)c3ccccc3oc2=O)cc1 ZINC000177163731 823387726 /nfs/dbraw/zinc/38/77/26/823387726.db2.gz XKHJDVQTRRSTQQ-UHFFFAOYSA-N 1 0 394.471 4.074 20 0 GIADRO CCCc1nnc(NC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)s1 ZINC000058416855 823387869 /nfs/dbraw/zinc/38/78/69/823387869.db2.gz NJJVQTAZVAIKGF-UHFFFAOYSA-N 1 0 387.553 4.188 20 0 GIADRO C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1cccc(COCC(F)(F)C(F)F)c1 ZINC000572717782 823388162 /nfs/dbraw/zinc/38/81/62/823388162.db2.gz CGTDUTJOYHGYMW-CQSZACIVSA-N 1 0 378.410 4.066 20 0 GIADRO COc1c(C)cnc(CN2CCC([N@H+](C)Cc3cc(F)cc(F)c3)CC2)c1C ZINC000189309270 823391841 /nfs/dbraw/zinc/39/18/41/823391841.db2.gz MBZLYTMFRAZAEA-UHFFFAOYSA-N 1 0 389.490 4.082 20 0 GIADRO CCC[N@@H+]1CC[C@@H](CNC(=O)N(C)[C@@H](C)Cc2ccccc2C(F)(F)F)C1 ZINC000572747182 823392063 /nfs/dbraw/zinc/39/20/63/823392063.db2.gz BGAMSMVKNLOZIF-HOTGVXAUSA-N 1 0 385.474 4.010 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)c2cccnc2SCC2CCCCC2)CC[N@@H+]1C ZINC000122663739 823390086 /nfs/dbraw/zinc/39/00/86/823390086.db2.gz DTPMWDHSLWNLGB-FUHWJXTLSA-N 1 0 375.582 4.309 20 0 GIADRO Cc1cc(Cl)c(NC(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)cc1Cl ZINC000572732684 823390393 /nfs/dbraw/zinc/39/03/93/823390393.db2.gz LZZMYIDMASMBLX-AWEZNQCLSA-N 1 0 386.323 4.020 20 0 GIADRO CC1(C)[NH2+]CC[C@H]1NC(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000572732314 823390437 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20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)c3c(Cl)cncc3Cl)C2)s1 ZINC000572772768 823396486 /nfs/dbraw/zinc/39/64/86/823396486.db2.gz NMAXSRYURYDSFN-CYBMUJFWSA-N 1 0 398.359 4.352 20 0 GIADRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1cc(OC)ccc1OC)c1ccc(Cl)cc1 ZINC000123797102 823541702 /nfs/dbraw/zinc/54/17/02/823541702.db2.gz SKEPOWIOENDVPA-DYVFJYSZSA-N 1 0 376.884 4.425 20 0 GIADRO Cc1cn(-c2ccccc2)nc1NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000122700844 823397130 /nfs/dbraw/zinc/39/71/30/823397130.db2.gz DNLRGADGFLQWSP-UHFFFAOYSA-N 1 0 395.551 4.301 20 0 GIADRO COc1cccc(C[NH2+]CC(C)(C)c2ccc3c(c2)OCCO3)c1OC(C)C ZINC000058476729 823397394 /nfs/dbraw/zinc/39/73/94/823397394.db2.gz HFOZBOXPWDJEFV-UHFFFAOYSA-N 1 0 385.504 4.321 20 0 GIADRO COc1cc(NC(=O)C[NH2+]C(C)(C)CCc2ccccc2)c(OC)cc1Cl ZINC000177185647 823394118 /nfs/dbraw/zinc/39/41/18/823394118.db2.gz IGIMLPKPSOWIKE-UHFFFAOYSA-N 1 0 390.911 4.297 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[NH2+]C(C)(C)CCc1ccccc1 ZINC000177185183 823394140 /nfs/dbraw/zinc/39/41/40/823394140.db2.gz UABHHCJNQTVXOR-UHFFFAOYSA-N 1 0 390.531 4.429 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)CCC(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000058491548 823399228 /nfs/dbraw/zinc/39/92/28/823399228.db2.gz GHYWEMUSYODUPW-UHFFFAOYSA-N 1 0 394.515 4.107 20 0 GIADRO c1nnc([C@H]([NH2+]C2CCN(c3nc4ccccc4s3)CC2)C2CCCCC2)[nH]1 ZINC000572791116 823399444 /nfs/dbraw/zinc/39/94/44/823399444.db2.gz XPJJXYYGOJRKPI-LJQANCHMSA-N 1 0 396.564 4.294 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)CCc2ccc(-c3ccccc3)[nH]2)cc1 ZINC000058492344 823399450 /nfs/dbraw/zinc/39/94/50/823399450.db2.gz XRWNXDLZRNSEJL-UHFFFAOYSA-N 1 0 377.488 4.193 20 0 GIADRO CCC[N@@H+](Cc1nnc(-c2ccccc2Cl)o1)C[C@@H](O)c1ccc(F)cc1 ZINC000177211518 823400212 /nfs/dbraw/zinc/40/02/12/823400212.db2.gz PDNZJJWQRCDJBZ-GOSISDBHSA-N 1 0 389.858 4.475 20 0 GIADRO Cc1cc([C@H](C)NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)ccc1F ZINC000460481675 823403756 /nfs/dbraw/zinc/40/37/56/823403756.db2.gz ZAVPXIIUBRJZFW-BWAGFHJFSA-N 1 0 395.522 4.359 20 0 GIADRO CCOC(=O)N1CCC([C@@H](C)[NH2+]Cc2ccc(CSC(F)F)o2)CC1 ZINC000189376562 823403755 /nfs/dbraw/zinc/40/37/55/823403755.db2.gz GCZLAKRPFYSPNQ-GFCCVEGCSA-N 1 0 376.469 4.082 20 0 GIADRO Cc1oc(-c2ccccc2F)nc1C(=O)O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000122726317 823401172 /nfs/dbraw/zinc/40/11/72/823401172.db2.gz HRJZSNDYZLVKIN-KRWDZBQOSA-N 1 0 380.419 4.220 20 0 GIADRO COc1ccccc1C[C@@H]1CCC[N@@H+]1CC(=O)N(Cc1ccccc1)C(C)C ZINC000058525709 823403868 /nfs/dbraw/zinc/40/38/68/823403868.db2.gz HJVARMKYCGRWGT-QFIPXVFZSA-N 1 0 380.532 4.139 20 0 GIADRO CC[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@H](O)COCc1ccc(OC)cc1 ZINC000058523939 823403907 /nfs/dbraw/zinc/40/39/07/823403907.db2.gz QALDPNPCXTVQCW-QPTUXGOLSA-N 1 0 383.532 4.231 20 0 GIADRO CCN(CC)C(=O)C1CC[NH+](CCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000058524128 823403927 /nfs/dbraw/zinc/40/39/27/823403927.db2.gz BTCKNYXGOPHDJZ-UHFFFAOYSA-N 1 0 386.458 4.055 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@H](C)c2ccccc2-n2cccn2)cc(OC)c1OC ZINC000177219803 823402386 /nfs/dbraw/zinc/40/23/86/823402386.db2.gz NWGLFFBBZGPQGD-JKSUJKDBSA-N 1 0 381.476 4.310 20 0 GIADRO CC(C)c1ccc(C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)cc1Cl ZINC000189370907 823402465 /nfs/dbraw/zinc/40/24/65/823402465.db2.gz PMXFOXAWVRTTHZ-UHFFFAOYSA-N 1 0 378.944 4.180 20 0 GIADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1cc(Br)ccc1F ZINC000177245349 823408621 /nfs/dbraw/zinc/40/86/21/823408621.db2.gz GEQROXZEZZYMMP-UHFFFAOYSA-N 1 0 383.305 4.115 20 0 GIADRO CC1CC[NH+]([C@H](CNC(=O)NCc2cccc(F)c2)c2cccs2)CC1 ZINC000410168217 823408694 /nfs/dbraw/zinc/40/86/94/823408694.db2.gz YBUUYTHRBIAZTQ-GOSISDBHSA-N 1 0 375.513 4.160 20 0 GIADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)NCC1(c2ccccc2)CCC1 ZINC000058538464 823406087 /nfs/dbraw/zinc/40/60/87/823406087.db2.gz YSSUHWMGQFCMOG-LJQANCHMSA-N 1 0 383.561 4.306 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)c2cccc(OCc3cccc(Cl)c3)c2)CC[N@@H+]1C ZINC000122761604 823407636 /nfs/dbraw/zinc/40/76/36/823407636.db2.gz FILFWWYKEKXKSG-OXJNMPFZSA-N 1 0 386.923 4.474 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc(NS(C)(=O)=O)cc1)c1ccc(Br)cc1 ZINC000177241761 823407923 /nfs/dbraw/zinc/40/79/23/823407923.db2.gz BENGUQGNHZZNDO-CHWSQXEVSA-N 1 0 397.338 4.232 20 0 GIADRO CCOc1ccccc1OCCCC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177241596 823407980 /nfs/dbraw/zinc/40/79/80/823407980.db2.gz KFCSHNRYNYPYGO-UHFFFAOYSA-N 1 0 388.552 4.158 20 0 GIADRO O=C([C@@H]1C[NH2+]Cc2ccccc21)N1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000572840260 823408057 /nfs/dbraw/zinc/40/80/57/823408057.db2.gz ZPWWARBJBXPNOX-IFMALSPDSA-N 1 0 386.499 4.017 20 0 GIADRO C[C@H]([NH2+]Cc1cnn(-c2ccccc2)c1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000122783099 823411479 /nfs/dbraw/zinc/41/14/79/823411479.db2.gz QQAXWSVOKPCITL-YADARESESA-N 1 0 391.515 4.287 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccccc1-n1cccn1)c1cccc(N2CCOC2=O)c1 ZINC000177257053 823411477 /nfs/dbraw/zinc/41/14/77/823411477.db2.gz DYGIYXYOEOCBFJ-SJORKVTESA-N 1 0 376.460 4.241 20 0 GIADRO O=C(NCc1cc2ccccc2o1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000122785138 823411756 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20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(O)c4ccccc4c3)c(C)c2)CC1 ZINC000572890934 823415071 /nfs/dbraw/zinc/41/50/71/823415071.db2.gz PVOQHNXQCIZVET-UHFFFAOYSA-N 1 0 389.499 4.248 20 0 GIADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccc(Br)cc1F ZINC000177269301 823415763 /nfs/dbraw/zinc/41/57/63/823415763.db2.gz QCOQWKQSSXFKIL-UHFFFAOYSA-N 1 0 383.305 4.115 20 0 GIADRO C[C@@H](NC(=O)NCC[N@@H+]1CCc2ccccc2C1)c1ccc(C(F)(F)F)cc1 ZINC000410200253 823417780 /nfs/dbraw/zinc/41/77/80/823417780.db2.gz SHSKIPJIYIFOLY-OAHLLOKOSA-N 1 0 391.437 4.124 20 0 GIADRO CN(CC(F)(F)F)C(=O)NCCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000410200261 823417864 /nfs/dbraw/zinc/41/78/64/823417864.db2.gz SIANKLPKIPZZJP-UHFFFAOYSA-N 1 0 393.453 4.283 20 0 GIADRO C[C@@H]([NH2+]CCc1ccc(Cl)nc1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000122845917 823422393 /nfs/dbraw/zinc/42/23/93/823422393.db2.gz DLOXXKSSVHZDCB-OAHLLOKOSA-N 1 0 392.952 4.345 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@@H]2CCCC[C@H]2OC(F)F)CC1 ZINC000410215812 823422493 /nfs/dbraw/zinc/42/24/93/823422493.db2.gz MPURAEQWLDTKCA-ATZDWAIDSA-N 1 0 395.494 4.062 20 0 GIADRO CCOc1cc(C[NH2+]CC2CCN(CC(F)(F)F)CC2)cc(Cl)c1OC ZINC000189466765 823423203 /nfs/dbraw/zinc/42/32/03/823423203.db2.gz YJEVSUSDBRBFEW-UHFFFAOYSA-N 1 0 394.865 4.111 20 0 GIADRO C[C@H]([NH2+][C@H](c1ccc(F)cc1)C1CCC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177292591 823423520 /nfs/dbraw/zinc/42/35/20/823423520.db2.gz ZJCARQBNOPBHDB-BTYIYWSLSA-N 1 0 390.524 4.268 20 0 GIADRO COc1ccccc1SC[C@@H](C)C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000177291925 823423562 /nfs/dbraw/zinc/42/35/62/823423562.db2.gz BYLJTSMHJYAPAM-INIZCTEOSA-N 1 0 394.581 4.413 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)C(C)(C)c3ccccc3OC)c(C)c2)CC1 ZINC000058629722 823419959 /nfs/dbraw/zinc/41/99/59/823419959.db2.gz VNTSZIYRYTXOJG-UHFFFAOYSA-N 1 0 395.547 4.062 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N=c1cc(C)n(C2CCCCC2)[nH]1 ZINC000572924840 823420643 /nfs/dbraw/zinc/42/06/43/823420643.db2.gz IWVJPDNJYIRWAS-UHFFFAOYSA-N 1 0 397.567 4.234 20 0 GIADRO Cc1ccc(C[C@H](C)NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000460528928 823420809 /nfs/dbraw/zinc/42/08/09/823420809.db2.gz NUMQITCJZKCZFX-DZFGPLHGSA-N 1 0 397.588 4.151 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)N2CC[C@@H](COCc3ccccc3)C2)cc1)C1CC1 ZINC000460542278 823425428 /nfs/dbraw/zinc/42/54/28/823425428.db2.gz DCLRJLWVBFBBEV-JOCHJYFZSA-N 1 0 392.543 4.350 20 0 GIADRO Cn1cc(NC(=O)N2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000572953110 823426303 /nfs/dbraw/zinc/42/63/03/823426303.db2.gz HVQVVQZFCSBYOS-JOCHJYFZSA-N 1 0 395.551 4.109 20 0 GIADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000122872644 823426805 /nfs/dbraw/zinc/42/68/05/823426805.db2.gz NJRPODQJHZGIBG-UHFFFAOYSA-N 1 0 381.303 4.252 20 0 GIADRO C[N@@H+]1CC[C@H](CNC(=O)N2CC(C)(C)[C@@H]2C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000460549033 823428001 /nfs/dbraw/zinc/42/80/01/823428001.db2.gz DTBMKFTVOCLGLH-MNEFBYGVSA-N 1 0 393.934 4.302 20 0 GIADRO C[N@H+](CC(=O)Nc1ccnn1Cc1ccccc1Cl)C1CCC(F)(F)CC1 ZINC000572981294 823429598 /nfs/dbraw/zinc/42/95/98/823429598.db2.gz CHBPWIGWBMHOIA-UHFFFAOYSA-N 1 0 396.869 4.033 20 0 GIADRO CCS[C@@H]1CCCC[C@H]1[NH2+]Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000189488659 823428813 /nfs/dbraw/zinc/42/88/13/823428813.db2.gz VNMFWLJYNMXSLV-QZTJIDSGSA-N 1 0 389.590 4.227 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)Nc2ccc(OC(C)(C)C)cc2)cc1 ZINC000189490405 823429071 /nfs/dbraw/zinc/42/90/71/823429071.db2.gz UULIVQIQWNYORS-UHFFFAOYSA-N 1 0 397.519 4.283 20 0 GIADRO CCC[NH+]1CCC(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(C)C)CC1 ZINC000058678726 823429091 /nfs/dbraw/zinc/42/90/91/823429091.db2.gz ZCXBWUKEBSDWBS-UHFFFAOYSA-N 1 0 388.943 4.253 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)CC(=O)Nc1ccc(OC)cc1OC)c1ccc(OC)cc1 ZINC000122893283 823429988 /nfs/dbraw/zinc/42/99/88/823429988.db2.gz RCGZCROETOMKLB-KXBFYZLASA-N 1 0 386.492 4.170 20 0 GIADRO Cc1ccc(NC(=O)C2CC[NH+]([C@@H](C)c3ncc(-c4ccccc4)o3)CC2)nc1 ZINC000122892195 823430043 /nfs/dbraw/zinc/43/00/43/823430043.db2.gz YGWWBDXHKWWCAJ-KRWDZBQOSA-N 1 0 390.487 4.457 20 0 GIADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)N[C@H]1CCSc2ccc(F)cc21 ZINC000177316837 823431069 /nfs/dbraw/zinc/43/10/69/823431069.db2.gz KRKVJVDEADQZIU-IBGZPJMESA-N 1 0 391.556 4.459 20 0 GIADRO COc1ccc([C@H](CNC(=O)NCc2cccc(C)c2)[NH+]2CCCCC2)cc1 ZINC000410244662 823432064 /nfs/dbraw/zinc/43/20/64/823432064.db2.gz OBYORNNQQJBGMZ-QFIPXVFZSA-N 1 0 381.520 4.030 20 0 GIADRO Cc1cc(Br)cc(Cl)c1C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000573003367 823432202 /nfs/dbraw/zinc/43/22/02/823432202.db2.gz LXSPIKXMEXBPDA-LBPRGKRZSA-N 1 0 387.749 4.213 20 0 GIADRO Cc1cc(Cl)ccc1OCC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000024631011 819857612 /nfs/dbraw/zinc/85/76/12/819857612.db2.gz MVQUZBPZKYXLDM-INIZCTEOSA-N 1 0 378.925 4.042 20 0 GIADRO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 ZINC000024667899 819862572 /nfs/dbraw/zinc/86/25/72/819862572.db2.gz IGEOIARJMWPYRO-HZPDHXFCSA-N 1 0 379.460 4.043 20 0 GIADRO CC(=O)c1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 ZINC000024668368 819863392 /nfs/dbraw/zinc/86/33/92/819863392.db2.gz CABCLDYYVJGIPA-GOSISDBHSA-N 1 0 391.471 4.239 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1cccc(Nc2ncccn2)c1)c1ccccc1 ZINC000024863926 819886532 /nfs/dbraw/zinc/88/65/32/819886532.db2.gz CVBJNAFHLAXRDK-OAQYLSRUSA-N 1 0 389.503 4.033 20 0 GIADRO O=C(NCCCCC[NH+]1CCCCC1)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000177345097 823440826 /nfs/dbraw/zinc/44/08/26/823440826.db2.gz PPBRWLGULKVDIS-UHFFFAOYSA-N 1 0 382.508 4.000 20 0 GIADRO O=C(Nc1cccnc1-c1ccc(Cl)s1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000189519057 823435884 /nfs/dbraw/zinc/43/58/84/823435884.db2.gz CSGAAHQKSCYMOJ-CYBMUJFWSA-N 1 0 376.913 4.166 20 0 GIADRO CC[NH+](CC)[C@H](C(=O)N1CCC[C@@H](c2ncc3n2CCCC3)C1)c1ccccc1 ZINC000410256965 823436530 /nfs/dbraw/zinc/43/65/30/823436530.db2.gz PWWINTJJMQYMIJ-IRLDBZIGSA-N 1 0 394.563 4.009 20 0 GIADRO C[NH+](C)CCc1ccc(NC(=O)c2cncc(-c3ccc4c(c3)CCO4)c2)cc1 ZINC000122964167 823440849 /nfs/dbraw/zinc/44/08/49/823440849.db2.gz VACTUCFFNCEYRN-UHFFFAOYSA-N 1 0 387.483 4.040 20 0 GIADRO C[C@H]([NH2+]C1CCN(Cc2cccnc2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000122947373 823438215 /nfs/dbraw/zinc/43/82/15/823438215.db2.gz UPBXBXUWWXOFFQ-HNNXBMFYSA-N 1 0 379.426 4.295 20 0 GIADRO Clc1cc2c(cc1C[NH2+][C@H](c1ccc3c(c1)OCCO3)C1CC1)OCCO2 ZINC000573040469 823438213 /nfs/dbraw/zinc/43/82/13/823438213.db2.gz HGKYHHLAYHXAMV-NRFANRHFSA-N 1 0 387.863 4.123 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(F)cc3Cl)c(C)c2)CC1 ZINC000025185378 819940827 /nfs/dbraw/zinc/94/08/27/819940827.db2.gz DOUABASACIOOIW-UHFFFAOYSA-N 1 0 375.875 4.182 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1 ZINC000177339372 823439696 /nfs/dbraw/zinc/43/96/96/823439696.db2.gz AVVMRWJZYYXUPM-UHFFFAOYSA-N 1 0 395.547 4.113 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCSc2ccc(Cl)cc21)C(=O)NC(=O)NC1CCCCC1 ZINC000025215910 819944014 /nfs/dbraw/zinc/94/40/14/819944014.db2.gz QJLGUORGLKJWBI-WBMJQRKESA-N 1 0 395.956 4.014 20 0 GIADRO CC(=O)c1c(C)[nH]c(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c1C(C)C ZINC000122962259 823440259 /nfs/dbraw/zinc/44/02/59/823440259.db2.gz KHYWDJJKSCVPIM-LJQANCHMSA-N 1 0 381.520 4.216 20 0 GIADRO COc1cc(CCC2CC[NH+](C[C@H](O)c3ccc(F)cc3)CC2)cc(OC)c1 ZINC000025307416 819959337 /nfs/dbraw/zinc/95/93/37/819959337.db2.gz PPARGFLTRVDUPQ-QHCPKHFHSA-N 1 0 387.495 4.221 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)c(CC(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)s1 ZINC000573093989 823446274 /nfs/dbraw/zinc/44/62/74/823446274.db2.gz RIBOGTKQHZDRSP-JOCHJYFZSA-N 1 0 397.588 4.206 20 0 GIADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)N(C2CC2)C2CCC(CC)CC2)[C@H](C)C1 ZINC000410279526 823446279 /nfs/dbraw/zinc/44/62/79/823446279.db2.gz OUMOXRDDHZHBPY-FYYGKBSSSA-N 1 0 393.616 4.266 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H](C)Oc1cccc(Br)c1 ZINC000177349314 823442168 /nfs/dbraw/zinc/44/21/68/823442168.db2.gz JORZTOREUOYOQH-CQSZACIVSA-N 1 0 391.309 4.225 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H](C)Oc1ccccc1Br ZINC000177350061 823442445 /nfs/dbraw/zinc/44/24/45/823442445.db2.gz HAZYBKUCBJQZTH-AWEZNQCLSA-N 1 0 391.309 4.225 20 0 GIADRO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2Cc2ccccc2)cc1OCC ZINC000025440429 819980707 /nfs/dbraw/zinc/98/07/07/819980707.db2.gz NKQKTAVUEDHDJC-FQEVSTJZSA-N 1 0 382.504 4.130 20 0 GIADRO O[C@@H](C[NH+]1CCC(OCc2ccc(Cl)c(Cl)c2)CC1)CC(F)(F)F ZINC000189555330 823443017 /nfs/dbraw/zinc/44/30/17/823443017.db2.gz HYMHABGUWRJSNE-GFCCVEGCSA-N 1 0 386.241 4.288 20 0 GIADRO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000573068965 823443306 /nfs/dbraw/zinc/44/33/06/823443306.db2.gz PKLZWCBPEXIESI-SMDDNHRTSA-N 1 0 382.348 4.252 20 0 GIADRO Cc1cc(CSc2ncccc2C(=O)Nc2cc(C[NH+](C)C)ccc2C)no1 ZINC000177353514 823443303 /nfs/dbraw/zinc/44/33/03/823443303.db2.gz RKNWWHZREWYCRC-UHFFFAOYSA-N 1 0 396.516 4.293 20 0 GIADRO Cc1cc(N2CCCC2)ccc1NC(=O)N[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000573094965 823446554 /nfs/dbraw/zinc/44/65/54/823446554.db2.gz UDBCTVNCNIKARA-DEOSSOPVSA-N 1 0 392.547 4.381 20 0 GIADRO CC[NH2+]CCCNC(=O)N(Cc1ccc(-c2ccccc2OC)cc1)C(C)C ZINC000573095325 823446654 /nfs/dbraw/zinc/44/66/54/823446654.db2.gz MUMDLUHNEJJNEN-UHFFFAOYSA-N 1 0 383.536 4.282 20 0 GIADRO CCCOc1ccc(C(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)cc1OCC ZINC000025631213 820008617 /nfs/dbraw/zinc/00/86/17/820008617.db2.gz SGESXHZXRIMBTN-SFHVURJKSA-N 1 0 396.531 4.051 20 0 GIADRO C[C@H](CNC(=O)c1cc(Cl)nc2ccccc21)[N@@H+]1CCc2ccccc2C1 ZINC000025634799 820008993 /nfs/dbraw/zinc/00/89/93/820008993.db2.gz UOUPAGGEHDQALY-OAHLLOKOSA-N 1 0 379.891 4.065 20 0 GIADRO Cc1cc(C)n(Cc2ccc(C(=O)Nc3cc(C[NH+](C)C)ccc3C)cc2)n1 ZINC000177364705 823445812 /nfs/dbraw/zinc/44/58/12/823445812.db2.gz OXWRZAHHTWRXFU-UHFFFAOYSA-N 1 0 376.504 4.171 20 0 GIADRO CC(C)[N@H+](CC(=O)Nc1cc2c(cc1Cl)OCCCO2)Cc1ccccc1 ZINC000025821249 820028846 /nfs/dbraw/zinc/02/88/46/820028846.db2.gz YVBKYXSXDIVJEP-UHFFFAOYSA-N 1 0 388.895 4.350 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1cccc2ncccc21)c1cccc(OC)c1 ZINC000025863086 820032564 /nfs/dbraw/zinc/03/25/64/820032564.db2.gz CVPLQRZERNLLJQ-QFIPXVFZSA-N 1 0 377.488 4.056 20 0 GIADRO COc1ccc(SCCC(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000025898505 820036619 /nfs/dbraw/zinc/03/66/19/820036619.db2.gz DJRZMUZFAICVFK-UHFFFAOYSA-N 1 0 398.572 4.131 20 0 GIADRO CN(C)C(=O)CC[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000025923448 820040131 /nfs/dbraw/zinc/04/01/31/820040131.db2.gz YJQYDCGRFVYCOI-UHFFFAOYSA-N 1 0 396.922 4.103 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@@H](c1ccco1)N1CCCC1)CC3 ZINC000123013320 823448238 /nfs/dbraw/zinc/44/82/38/823448238.db2.gz FCIKLCBNBLUVFL-ZHRRBRCNSA-N 1 0 379.504 4.054 20 0 GIADRO COc1ccccc1-c1nc(C(=O)NCCC[N@H+](C)C2CCCCC2)cs1 ZINC000058793307 823453271 /nfs/dbraw/zinc/45/32/71/823453271.db2.gz MONHOIRWGROHJJ-UHFFFAOYSA-N 1 0 387.549 4.203 20 0 GIADRO CCCOCc1ccccc1CNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177376024 823449003 /nfs/dbraw/zinc/44/90/03/823449003.db2.gz UNUWLCRUCROCPY-UHFFFAOYSA-N 1 0 387.568 4.210 20 0 GIADRO C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000177378791 823449326 /nfs/dbraw/zinc/44/93/26/823449326.db2.gz BXWXPIQXAMYDCC-HOTGVXAUSA-N 1 0 377.960 4.348 20 0 GIADRO COc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(CCc2ccc(O)cc2)CC1 ZINC000026114044 820059540 /nfs/dbraw/zinc/05/95/40/820059540.db2.gz VESRYMXMMSMDFN-QGZVFWFLSA-N 1 0 382.504 4.073 20 0 GIADRO O=C(c1ccco1)N1CCC([NH2+][C@H]2CCCc3cc(OC(F)F)ccc32)CC1 ZINC000123022552 823449485 /nfs/dbraw/zinc/44/94/85/823449485.db2.gz YAYFFCZNVJEJPZ-SFHVURJKSA-N 1 0 390.430 4.153 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)c3cccc4cccnc43)C2)s1 ZINC000573116052 823449482 /nfs/dbraw/zinc/44/94/82/823449482.db2.gz GVTFRGYFMCZWEV-QGZVFWFLSA-N 1 0 379.529 4.199 20 0 GIADRO COc1ccc(-c2cc(C[NH+]3CCC([C@H](O)c4ccccc4)CC3)on2)cc1 ZINC000026120091 820061166 /nfs/dbraw/zinc/06/11/66/820061166.db2.gz NTHKVIDGLHAMMG-HSZRJFAPSA-N 1 0 378.472 4.296 20 0 GIADRO CCOc1ccc([C@@H](C)NC(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000026164841 820065258 /nfs/dbraw/zinc/06/52/58/820065258.db2.gz AVSVSVKHLQQSCI-GOSISDBHSA-N 1 0 395.547 4.282 20 0 GIADRO CCC[N@H+](C)[C@H](CNC(=O)Nc1cnn(C(C)C)c1)c1ccc(Cl)cc1 ZINC000573120741 823450231 /nfs/dbraw/zinc/45/02/31/823450231.db2.gz CDYWBXHPJNPZOL-GOSISDBHSA-N 1 0 377.920 4.322 20 0 GIADRO COc1ccc(C2(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)CCCC2)cc1 ZINC000058781082 823450724 /nfs/dbraw/zinc/45/07/24/823450724.db2.gz GYGIACNBHCHKIG-UHFFFAOYSA-N 1 0 392.543 4.288 20 0 GIADRO CC(=O)Nc1ccc(C[NH2+]Cc2cn(Cc3ccccc3)nc2C(C)(C)C)cc1 ZINC000123031216 823450775 /nfs/dbraw/zinc/45/07/75/823450775.db2.gz YKMRNILBYJDSNS-UHFFFAOYSA-N 1 0 390.531 4.477 20 0 GIADRO CC[NH2+]Cc1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c(OCC)c1 ZINC000026303201 820080007 /nfs/dbraw/zinc/08/00/07/820080007.db2.gz SPYNUCJWOFNKSN-UHFFFAOYSA-N 1 0 396.409 4.231 20 0 GIADRO COCC[N@H+](CC(=O)Nc1cc2oc3ccccc3c2cc1OC)C1CCCC1 ZINC000026447421 820097684 /nfs/dbraw/zinc/09/76/84/820097684.db2.gz PMWJXQIFSCQATM-UHFFFAOYSA-N 1 0 396.487 4.424 20 0 GIADRO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]CCCOCC(F)(F)F ZINC000123086289 823459816 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375.472 4.257 20 0 GIADRO COc1ccc([C@@H](C/N=C/c2cc3ccccc3[nH]c2=O)[NH+]2CCCCC2)cc1 ZINC000027061812 820187510 /nfs/dbraw/zinc/18/75/10/820187510.db2.gz AKVLUPYQLKXMHR-DZQSVEARSA-N 1 0 389.499 4.183 20 0 GIADRO CC(C)n1nccc1CN1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000410315505 823460716 /nfs/dbraw/zinc/46/07/16/823460716.db2.gz BQPCFHUSANILKB-UHFFFAOYSA-N 1 0 380.458 4.191 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1ccc(CN2CCCC2=O)cc1 ZINC000027140547 820200140 /nfs/dbraw/zinc/20/01/40/820200140.db2.gz HNJYBORYCHZJCG-UHFFFAOYSA-N 1 0 391.515 4.047 20 0 GIADRO O=C(NCCc1ccccc1C(F)(F)F)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000058832894 823461006 /nfs/dbraw/zinc/46/10/06/823461006.db2.gz RBNGWUVGNJFPAD-LJQANCHMSA-N 1 0 390.449 4.276 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)C2(c3ccc(OC)cc3)CCCC2)c1 ZINC000058832692 823461019 /nfs/dbraw/zinc/46/10/19/823461019.db2.gz OJSSPKQFFXVRQG-UHFFFAOYSA-N 1 0 380.532 4.275 20 0 GIADRO CC(C)Oc1cc(Br)cc(NC(=O)C2CC[NH+](C(C)C)CC2)c1 ZINC000177437666 823461888 /nfs/dbraw/zinc/46/18/88/823461888.db2.gz MQHBFARGQVPSOZ-UHFFFAOYSA-N 1 0 383.330 4.295 20 0 GIADRO Cc1nc2cc(NC(=O)NC3CC[NH+](Cc4ccc(F)cc4)CC3)ccc2o1 ZINC000123098140 823462097 /nfs/dbraw/zinc/46/20/97/823462097.db2.gz MIZJWMHCGMFTAV-UHFFFAOYSA-N 1 0 382.439 4.061 20 0 GIADRO CCCC[N@H+](CC)CC(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 ZINC000027272720 820217740 /nfs/dbraw/zinc/21/77/40/820217740.db2.gz JXJCJHHUWZAXTC-GOSISDBHSA-N 1 0 381.520 4.238 20 0 GIADRO Cc1cc(C(=O)C(C(=S)NC2CCCCC2)[n+]2ccc(C)cc2)c(C)n1C ZINC000027329755 820225130 /nfs/dbraw/zinc/22/51/30/820225130.db2.gz GHUIDWGJVXWBCD-UHFFFAOYSA-O 1 0 384.569 4.099 20 0 GIADRO Cc1cc(C(=O)NCCC[N@H+]2CCCC[C@@H]2C)cc(C)c1OCc1cccnc1 ZINC000058856357 823462652 /nfs/dbraw/zinc/46/26/52/823462652.db2.gz FAALUIYVMJHVER-FQEVSTJZSA-N 1 0 395.547 4.272 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccc(SC(F)(F)F)cc1 ZINC000027335293 820226345 /nfs/dbraw/zinc/22/63/45/820226345.db2.gz DERPIMRPWLBQKG-OAHLLOKOSA-N 1 0 384.423 4.458 20 0 GIADRO COc1cccc([C@@H](CNC(=O)[C@@H](C)Sc2ccc(C)cc2)[NH+]2CCCC2)c1 ZINC000027341293 820227667 /nfs/dbraw/zinc/22/76/67/820227667.db2.gz HBOILPXIJAOPPT-XMSQKQJNSA-N 1 0 398.572 4.438 20 0 GIADRO C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000177441831 823462819 /nfs/dbraw/zinc/46/28/19/823462819.db2.gz AOARIPXYLVEVEB-CYBMUJFWSA-N 1 0 385.335 4.284 20 0 GIADRO COc1ccc(CCC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000027343777 820228468 /nfs/dbraw/zinc/22/84/68/820228468.db2.gz FJTZEIDHYPILTK-OAQYLSRUSA-N 1 0 386.923 4.235 20 0 GIADRO COc1cccc(CCNC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)c1 ZINC000410323386 823462946 /nfs/dbraw/zinc/46/29/46/823462946.db2.gz MMBASKWQIZSMAI-IBGZPJMESA-N 1 0 395.547 4.112 20 0 GIADRO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@H](C)Cn1ccnc1C ZINC000123104910 823462975 /nfs/dbraw/zinc/46/29/75/823462975.db2.gz JWYDKMSDBJUKGB-HNNXBMFYSA-N 1 0 385.943 4.132 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)N2CCc3c2cc(F)cc3F)CC1 ZINC000410324103 823463317 /nfs/dbraw/zinc/46/33/17/823463317.db2.gz QWGBWNDZLYGFMA-UHFFFAOYSA-N 1 0 385.458 4.010 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)[C@@H](Oc2ccccc2)c2ccccc2)CC1 ZINC000058860998 823463329 /nfs/dbraw/zinc/46/33/29/823463329.db2.gz NLHGIMIGMAAFKG-QHCPKHFHSA-N 1 0 380.532 4.386 20 0 GIADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)COc2cccc3ccccc32)CC1 ZINC000027386919 820236962 /nfs/dbraw/zinc/23/69/62/820236962.db2.gz NUMHEQVMPHAIIU-UHFFFAOYSA-N 1 0 388.511 4.262 20 0 GIADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)/C=C/c2ccc3ccccc3n2)CC1 ZINC000027387160 820237034 /nfs/dbraw/zinc/23/70/34/820237034.db2.gz QYSMDYHSWHXISL-BUHFOSPRSA-N 1 0 385.511 4.291 20 0 GIADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000027391355 820237853 /nfs/dbraw/zinc/23/78/53/820237853.db2.gz SOJCCZUZWMOWDG-UHFFFAOYSA-N 1 0 387.321 4.106 20 0 GIADRO CC[C@H](C)[NH2+]Cc1ccc(OCC(=O)Nc2ccccc2Cl)c(OC)c1 ZINC000027392635 820238479 /nfs/dbraw/zinc/23/84/79/820238479.db2.gz PCPZAOINJWOXGY-AWEZNQCLSA-N 1 0 376.884 4.254 20 0 GIADRO O[C@]1(C[NH2+]Cc2cccc(OCc3ccccn3)c2)CCC[C@@H](C(F)(F)F)C1 ZINC000189634828 823463546 /nfs/dbraw/zinc/46/35/46/823463546.db2.gz BRONQTYLRATGJV-YLJYHZDGSA-N 1 0 394.437 4.234 20 0 GIADRO O=C(COc1ccccc1C(F)(F)F)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000058879436 823465419 /nfs/dbraw/zinc/46/54/19/823465419.db2.gz WZIWGSRGSWWQIF-UHFFFAOYSA-N 1 0 398.469 4.199 20 0 GIADRO Cc1ccc(-c2c[nH]cc2C(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)s1 ZINC000189637059 823463930 /nfs/dbraw/zinc/46/39/30/823463930.db2.gz XFFXOOWAIOYUQJ-MGPUTAFESA-N 1 0 394.544 4.087 20 0 GIADRO OC[C@@]1(Cc2ccc(F)cc2)CC[N@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000573194699 823464307 /nfs/dbraw/zinc/46/43/07/823464307.db2.gz AGJZRJDOHLTPBR-JOCHJYFZSA-N 1 0 399.897 4.296 20 0 GIADRO O=C(NC1CC[NH+](C2CCCC2)CC1)C1(c2cccc(Br)c2)CC1 ZINC000177448227 823464574 /nfs/dbraw/zinc/46/45/74/823464574.db2.gz FSAGFXLSIBSZGC-UHFFFAOYSA-N 1 0 391.353 4.004 20 0 GIADRO CC[C@@H](CNC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)c1ccccc1 ZINC000410328784 823464776 /nfs/dbraw/zinc/46/47/76/823464776.db2.gz DTQJYEXNRKIGMZ-FQEVSTJZSA-N 1 0 379.548 4.452 20 0 GIADRO COc1ccc(F)cc1C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000027575483 820262055 /nfs/dbraw/zinc/26/20/55/820262055.db2.gz JAAOCJDPLNEDNI-QGZVFWFLSA-N 1 0 376.497 4.099 20 0 GIADRO Cc1ccc(C(=O)CCC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)cc1C ZINC000058880448 823465747 /nfs/dbraw/zinc/46/57/47/823465747.db2.gz VYAKJACWEKVOCJ-UHFFFAOYSA-N 1 0 384.564 4.381 20 0 GIADRO O=C(c1ccc(F)cc1Br)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000058880652 823465821 /nfs/dbraw/zinc/46/58/21/823465821.db2.gz KXHKCYIPMQMZHR-UHFFFAOYSA-N 1 0 397.332 4.316 20 0 GIADRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)C(C)C)s2)cc1 ZINC000177452177 823465999 /nfs/dbraw/zinc/46/59/99/823465999.db2.gz AZGJPFNRYJALKL-HIFRSBDPSA-N 1 0 375.538 4.033 20 0 GIADRO O=C(c1cccc(Br)c1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000058881940 823466046 /nfs/dbraw/zinc/46/60/46/823466046.db2.gz XHIALIRNKAHWMG-UHFFFAOYSA-N 1 0 379.342 4.177 20 0 GIADRO COc1cc(C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)ccc1OC(C)C ZINC000058881516 823466099 /nfs/dbraw/zinc/46/60/99/823466099.db2.gz WEZPPDMAJLFLJG-UHFFFAOYSA-N 1 0 388.552 4.211 20 0 GIADRO COc1ccc([C@@H](CNC(=O)c2ccc(Cl)cc2F)[NH+]2CCCCC2)cc1 ZINC000027669392 820273628 /nfs/dbraw/zinc/27/36/28/820273628.db2.gz WHGFALANNDSCKP-HXUWFJFHSA-N 1 0 390.886 4.445 20 0 GIADRO COc1ccc(OC)c(NC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)c1 ZINC000410335423 823466460 /nfs/dbraw/zinc/46/64/60/823466460.db2.gz QJQBVDYYBOFREW-KRWDZBQOSA-N 1 0 397.519 4.400 20 0 GIADRO CC1CC[NH+](Cc2ccccc2CNC(=O)N(C)Cc2cccc(F)c2)CC1 ZINC000410336957 823466666 /nfs/dbraw/zinc/46/66/66/823466666.db2.gz GKLUSHZHMKUJCT-UHFFFAOYSA-N 1 0 383.511 4.399 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)NCCc2cccc3[nH]ccc32)[C@H]1c1cccs1 ZINC000573222414 823467432 /nfs/dbraw/zinc/46/74/32/823467432.db2.gz NWEKQHGQAXEGHB-UTKZUKDTSA-N 1 0 396.560 4.154 20 0 GIADRO O[C@H](C[C@@H]1CCCCC[N@@H+]1Cc1cc(F)cc2c1OCOC2)c1ccco1 ZINC000177458642 823467423 /nfs/dbraw/zinc/46/74/23/823467423.db2.gz MTZHEDXMSZDXDF-RBUKOAKNSA-N 1 0 375.440 4.154 20 0 GIADRO CC(C)([NH3+])c1nocc1C(=O)NCC1(c2ccc(Cl)cc2)CCCCC1 ZINC000573219482 823467505 /nfs/dbraw/zinc/46/75/05/823467505.db2.gz DMNMZGCVPSWOOO-UHFFFAOYSA-N 1 0 375.900 4.154 20 0 GIADRO C[N@H+](CCCCCc1cc(-c2cccc(F)c2)no1)C[C@@](C)(O)C(F)(F)F ZINC000410341499 823467725 /nfs/dbraw/zinc/46/77/25/823467725.db2.gz WKUHWKCPLKUXKL-GOSISDBHSA-N 1 0 388.405 4.439 20 0 GIADRO CC(C)c1oc([C@@H]2CCCN2C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)nc1-c1ccccc1 ZINC000573225381 823467883 /nfs/dbraw/zinc/46/78/83/823467883.db2.gz DVKNGTQDASPKAU-NEWSRXKRSA-N 1 0 396.535 4.439 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N(C)Cc3ccc(F)cc3)cc2)C1 ZINC000410354390 823471413 /nfs/dbraw/zinc/47/14/13/823471413.db2.gz WBVBNNRRRIAKNF-GOSISDBHSA-N 1 0 383.511 4.399 20 0 GIADRO CC1CC[NH+](Cc2ccccc2CNC(=O)N2CCC[C@H]2c2cccnc2)CC1 ZINC000410345462 823468645 /nfs/dbraw/zinc/46/86/45/823468645.db2.gz PSQPGZQFLQCARJ-QHCPKHFHSA-N 1 0 392.547 4.360 20 0 GIADRO COc1ccc(Br)c(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000028163126 820314459 /nfs/dbraw/zinc/31/44/59/820314459.db2.gz FIYSSWDJPUMZBP-UHFFFAOYSA-N 1 0 389.293 4.306 20 0 GIADRO COc1ccc([C@@H]2CCCN2C(=O)C[N@@H+]2CCC[C@@H]2c2ccccc2)cc1OC ZINC000028173428 820315237 /nfs/dbraw/zinc/31/52/37/820315237.db2.gz NGBVSDALBNAEKW-RTWAWAEBSA-N 1 0 394.515 4.204 20 0 GIADRO C[C@H](NC(=O)N(C)[C@H]1CC[C@@H](C(F)(F)F)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000460660816 823469696 /nfs/dbraw/zinc/46/96/96/823469696.db2.gz UWZUGSPASNKZGS-LUKYLMHMSA-N 1 0 389.506 4.402 20 0 GIADRO COc1cccc([C@H]2[C@H](NC(=O)Nc3cc(C4CC4)ccn3)CC[N@@H+]2C2CC2)c1 ZINC000573255967 823471533 /nfs/dbraw/zinc/47/15/33/823471533.db2.gz SQCMJSDXANPNRF-IRLDBZIGSA-N 1 0 392.503 4.067 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)c1 ZINC000028337023 820326293 /nfs/dbraw/zinc/32/62/93/820326293.db2.gz AHWKRZMYBINLBE-CHWSQXEVSA-N 1 0 393.409 4.342 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1ccccc1Cl ZINC000028349290 820328191 /nfs/dbraw/zinc/32/81/91/820328191.db2.gz IVSOXPVIQGISKF-UONOGXRCSA-N 1 0 385.895 4.366 20 0 GIADRO O=C(CCOc1ccccc1-c1ccccc1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000058919432 823470313 /nfs/dbraw/zinc/47/03/13/823470313.db2.gz HUBOQMSGAGUDGC-NRFANRHFSA-N 1 0 378.516 4.209 20 0 GIADRO Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000058919697 823470356 /nfs/dbraw/zinc/47/03/56/823470356.db2.gz KUOAASHYDSVDMP-QGZVFWFLSA-N 1 0 389.952 4.472 20 0 GIADRO Cc1ccc(NC(=O)[C@H]([NH2+]CCOc2ccc(F)cc2)c2ccccc2)cc1 ZINC000028388813 820331582 /nfs/dbraw/zinc/33/15/82/820331582.db2.gz YNEKXNHAJSBNBL-JOCHJYFZSA-N 1 0 378.447 4.483 20 0 GIADRO CC(C)(C)CN1CCC[C@H]([NH2+]CC2(c3ccc(Cl)cc3)CCOCC2)C1=O ZINC000460666529 823471608 /nfs/dbraw/zinc/47/16/08/823471608.db2.gz DHVNDDCHMSFPII-IBGZPJMESA-N 1 0 392.971 4.015 20 0 GIADRO CC[C@@H](NC(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1ccc(OC)cc1 ZINC000028390495 820332009 /nfs/dbraw/zinc/33/20/09/820332009.db2.gz HLBDTETYZSOLPS-JOCHJYFZSA-N 1 0 381.520 4.242 20 0 GIADRO CN(Cc1nc2ccccc2s1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000028390064 820332248 /nfs/dbraw/zinc/33/22/48/820332248.db2.gz VWCDAKYNBHLRRW-UHFFFAOYSA-N 1 0 394.544 4.234 20 0 GIADRO COc1ccc([C@H](NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)C(C)C)cc1 ZINC000028390606 820332330 /nfs/dbraw/zinc/33/23/30/820332330.db2.gz VNNXVIDOCGCIGS-HSZRJFAPSA-N 1 0 395.547 4.488 20 0 GIADRO CCOc1ccc(S[C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000028406050 820333325 /nfs/dbraw/zinc/33/33/25/820333325.db2.gz ONBVKZCGSOHXHV-GOSISDBHSA-N 1 0 398.572 4.347 20 0 GIADRO C[C@@H](Cc1ccco1)NC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000028418304 820334788 /nfs/dbraw/zinc/33/47/88/820334788.db2.gz QFNBVFORYOUDTO-SFHVURJKSA-N 1 0 391.515 4.439 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)c2cc(F)cc3[nH]c(=S)[nH]c32)CC[N@@H+]1Cc1ccccc1 ZINC000177474065 823470728 /nfs/dbraw/zinc/47/07/28/823470728.db2.gz ONOBDGLPAOHBPD-CZUORRHYSA-N 1 0 398.507 4.147 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N(C)Cc2cccc(F)c2)C1 ZINC000410351626 823470803 /nfs/dbraw/zinc/47/08/03/823470803.db2.gz MCWLGEGABDJKIG-SFHVURJKSA-N 1 0 383.511 4.399 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)Nc1ccc(N(C)C)cc1C)[NH+]1CCCC1 ZINC000058930585 823471688 /nfs/dbraw/zinc/47/16/88/823471688.db2.gz YYROWRXJMLXTSC-NRFANRHFSA-N 1 0 396.535 4.028 20 0 GIADRO O=C(c1csc(-c2ccc(Cl)s2)n1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000573254258 823470973 /nfs/dbraw/zinc/47/09/73/823470973.db2.gz WUCVDSUUTKSKPQ-AAEUAGOBSA-N 1 0 381.954 4.129 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCCN(CC(C)(C)C)C1=O)c1cccc(OCc2ccccn2)c1 ZINC000460667707 823472038 /nfs/dbraw/zinc/47/20/38/823472038.db2.gz IGESVGKYJCXOGO-XMSQKQJNSA-N 1 0 395.547 4.348 20 0 GIADRO COc1ccc(NC(=O)[C@@H]([NH2+]CCc2ccccc2OC)c2ccccc2)cc1 ZINC000028622476 820346126 /nfs/dbraw/zinc/34/61/26/820346126.db2.gz UUDPUGPJJKECDG-QHCPKHFHSA-N 1 0 390.483 4.216 20 0 GIADRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)N(C)[C@@H]3CCCC[C@@H]3C)cc2)C[C@@H](C)O1 ZINC000410356957 823472893 /nfs/dbraw/zinc/47/28/93/823472893.db2.gz YAEXZMUHTOHTKM-JZJXAQOMSA-N 1 0 387.568 4.016 20 0 GIADRO COc1cc(F)ccc1NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000410357700 823473101 /nfs/dbraw/zinc/47/31/01/823473101.db2.gz FNQPRLHJCQHBLP-INIZCTEOSA-N 1 0 385.483 4.388 20 0 GIADRO Cc1cccc(-n2ccn(CN3CC[NH+](CCc4ccccc4)CC3)c2=S)c1 ZINC000028812613 820360040 /nfs/dbraw/zinc/36/00/40/820360040.db2.gz WHFQYSQUAJKLIT-UHFFFAOYSA-N 1 0 392.572 4.135 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)Nc2ccc(-c3nnc(CC)o3)cc2)CC1 ZINC000177484832 823473383 /nfs/dbraw/zinc/47/33/83/823473383.db2.gz ZXRMTOGVTDGOHV-UHFFFAOYSA-N 1 0 399.539 4.275 20 0 GIADRO CO[C@@H](CNC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000410369305 823477310 /nfs/dbraw/zinc/47/73/10/823477310.db2.gz BCVIBFCXQOFZNS-CVDCTZTESA-N 1 0 395.547 4.248 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccnc1Cl)c1ccc(Br)cc1 ZINC000028878206 820366195 /nfs/dbraw/zinc/36/61/95/820366195.db2.gz SBJNEMGMYUXXCO-MNOVXSKESA-N 1 0 382.689 4.175 20 0 GIADRO O=C(CCN1CC[NH+](CCc2ccccc2)CC1)Nc1cccc2ccccc21 ZINC000028893336 820367900 /nfs/dbraw/zinc/36/79/00/820367900.db2.gz FSCKAMGTGWIDBC-UHFFFAOYSA-N 1 0 387.527 4.029 20 0 GIADRO C[C@@H]1C[NH+](CCCNC(=O)C[C@H](Cc2ccccc2)c2ccccc2)C[C@@H](C)O1 ZINC000460672845 823473965 /nfs/dbraw/zinc/47/39/65/823473965.db2.gz BJUTWDPWEZCUQJ-LGVFNWMJSA-N 1 0 394.559 4.019 20 0 GIADRO NC(=O)[C@H]([NH2+]C[C@H](c1c[nH]c2ccccc21)c1ccccc1)c1ccc(F)cc1 ZINC000028902704 820370553 /nfs/dbraw/zinc/37/05/53/820370553.db2.gz MTUHSGYEMPOGOF-NZQKXSOJSA-N 1 0 387.458 4.255 20 0 GIADRO CC(C)c1ccccc1OC[C@H](O)C[NH2+][C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000028919393 820373461 /nfs/dbraw/zinc/37/34/61/820373461.db2.gz IHWNRORLDZDUEP-DYESRHJHSA-N 1 0 396.531 4.249 20 0 GIADRO 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 ZINC000123177069 823474515 /nfs/dbraw/zinc/47/45/15/823474515.db2.gz ZBNWZFTZDXFLCI-HZMBPMFUSA-N 1 0 382.348 4.279 20 0 GIADRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@@H](O)c1cccc(Br)c1 ZINC000028966096 820378292 /nfs/dbraw/zinc/37/82/92/820378292.db2.gz WQYWTWBBIJNIQD-YVEFUNNKSA-N 1 0 379.254 4.084 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCC[C@@H]1c1cccn1C ZINC000410362275 823474717 /nfs/dbraw/zinc/47/47/17/823474717.db2.gz UWRDCYQHPJTJTD-AUSIDOKSSA-N 1 0 394.563 4.446 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc(C(F)(F)F)nc1C ZINC000029009276 820383251 /nfs/dbraw/zinc/38/32/51/820383251.db2.gz VARYPDPUVXLTLL-UHFFFAOYSA-N 1 0 379.426 4.181 20 0 GIADRO Cc1ccc(NC(=O)NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1C ZINC000410363510 823475155 /nfs/dbraw/zinc/47/51/55/823475155.db2.gz GFDVTDBPKPTWQK-KDURUIRLSA-N 1 0 381.520 4.234 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N[C@@H]3CCCc4occc43)cc2)C1 ZINC000410363485 823475172 /nfs/dbraw/zinc/47/51/72/823475172.db2.gz JDLUKBQRPQPFGC-DYESRHJHSA-N 1 0 381.520 4.388 20 0 GIADRO Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000573280237 823475211 /nfs/dbraw/zinc/47/52/11/823475211.db2.gz FFPPQOBTYJOCRM-GFCCVEGCSA-N 1 0 382.291 4.028 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1cnn(-c2ccccc2C)c1C)c1ccsc1 ZINC000058954589 823475344 /nfs/dbraw/zinc/47/53/44/823475344.db2.gz GIOKCHNOCSACNT-NRFANRHFSA-N 1 0 396.560 4.364 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000058955048 823475618 /nfs/dbraw/zinc/47/56/18/823475618.db2.gz GXKQBQVLYXUYBW-KBPBESRZSA-N 1 0 375.513 4.108 20 0 GIADRO CC[N@H+](CCNC(=O)N[C@H](C)c1ccc(C(F)(F)F)cc1)CCC(F)(F)F ZINC000460678128 823475834 /nfs/dbraw/zinc/47/58/34/823475834.db2.gz XWNUGKKJKBSSGC-GFCCVEGCSA-N 1 0 399.379 4.340 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)Nc3ccc4c(c3)CCO4)cc2)C1 ZINC000410366051 823476228 /nfs/dbraw/zinc/47/62/28/823476228.db2.gz GFBUOXRLAZJNPZ-QGZVFWFLSA-N 1 0 379.504 4.175 20 0 GIADRO CSc1nc(C2CC2)cc(C(=O)Nc2cccc(C[NH+]3CCCC3)c2)c1C#N ZINC000029171841 820404862 /nfs/dbraw/zinc/40/48/62/820404862.db2.gz MBIXVJMMSCUSKL-UHFFFAOYSA-N 1 0 392.528 4.401 20 0 GIADRO O=C(CC[NH+]1CCC(OCC2CCCC2)CC1)NCc1ccccc1Cl ZINC000177497144 823476829 /nfs/dbraw/zinc/47/68/29/823476829.db2.gz KJMHSZUXPHTHAP-UHFFFAOYSA-N 1 0 378.944 4.018 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)Cc3ccc(Cl)c(F)c3)C2)s1 ZINC000573258354 823471773 /nfs/dbraw/zinc/47/17/73/823471773.db2.gz YEVYAKBYPKWVEL-MRXNPFEDSA-N 1 0 394.943 4.372 20 0 GIADRO Cn1nccc1[C@@H]1C[C@@H]([NH2+][C@@H](Cc2cccnc2)c2cccc(Cl)c2)CCO1 ZINC000573297713 823478071 /nfs/dbraw/zinc/47/80/71/823478071.db2.gz VYCOBYWJHUQHPP-ONTIZHBOSA-N 1 0 396.922 4.262 20 0 GIADRO C[C@@H]1C[NH+](CCC2CCN(Cc3coc(-c4ccccc4)n3)CC2)C[C@@H](C)O1 ZINC000177509262 823479318 /nfs/dbraw/zinc/47/93/18/823479318.db2.gz RSDDTQFIFONKDB-RTBURBONSA-N 1 0 383.536 4.053 20 0 GIADRO CC1CC[NH+](Cc2ccc(CNC(=O)c3ccccc3OC(F)F)cc2)CC1 ZINC000029358662 820443190 /nfs/dbraw/zinc/44/31/90/820443190.db2.gz CTIBDYKUFHYDFY-UHFFFAOYSA-N 1 0 388.458 4.450 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1)c1ccsc1 ZINC000029364453 820443839 /nfs/dbraw/zinc/44/38/39/820443839.db2.gz QCCOOEPXZBQITE-UHFFFAOYSA-N 1 0 391.540 4.000 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)C1 ZINC000177512310 823479959 /nfs/dbraw/zinc/47/99/59/823479959.db2.gz MNHIAPMNAVHTJL-OAHLLOKOSA-N 1 0 398.473 4.111 20 0 GIADRO C/C=C/C=C/C(=O)Nc1ccc(C[NH+]2CCN(c3cccc(C)c3)CC2)cc1 ZINC000029417691 820453418 /nfs/dbraw/zinc/45/34/18/820453418.db2.gz BBDXJNBLCWLEGG-PRKJJMSOSA-N 1 0 375.516 4.388 20 0 GIADRO COc1ccc2cc(CN(C)C(=O)C[N@H+](C)[C@@H]3CCc4ccccc43)ccc2c1 ZINC000029488083 820462821 /nfs/dbraw/zinc/46/28/21/820462821.db2.gz FRFBREAVGVENTM-XMMPIXPASA-N 1 0 388.511 4.426 20 0 GIADRO COc1cc(F)c(C[NH2+][C@@H](C)c2ccc(OC(C)C)c(OC)c2)cc1OC ZINC000573330108 823480858 /nfs/dbraw/zinc/48/08/58/823480858.db2.gz FZSUNAYQLAHDPX-AWEZNQCLSA-N 1 0 377.456 4.490 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCCc2cc(F)ccc2F)CC1 ZINC000177518530 823481108 /nfs/dbraw/zinc/48/11/08/823481108.db2.gz GSQRHXLIKKHEBD-MRXNPFEDSA-N 1 0 387.474 4.032 20 0 GIADRO Cc1ccc(-c2nc(C(=O)N(CC[NH+](C)C)Cc3ccc(F)cc3)cs2)cc1 ZINC000059001017 823481397 /nfs/dbraw/zinc/48/13/97/823481397.db2.gz DNEIWKGJXIIFMC-UHFFFAOYSA-N 1 0 397.519 4.462 20 0 GIADRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(Cn2ccnc2C(C)C)c1 ZINC000177530015 823483630 /nfs/dbraw/zinc/48/36/30/823483630.db2.gz YJJPFKZRSDYGKF-LEWJYISDSA-N 1 0 395.551 4.145 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc4cc(C)ccc4[nH]3)c(C)c2)CC1 ZINC000029597238 820481755 /nfs/dbraw/zinc/48/17/55/820481755.db2.gz UZDDHQXZZUXRFG-UHFFFAOYSA-N 1 0 376.504 4.179 20 0 GIADRO C[N@@H+]1CC[C@H](NC(=O)Nc2cc(F)ccc2Br)[C@@H]1c1ccccc1 ZINC000189723414 823482420 /nfs/dbraw/zinc/48/24/20/823482420.db2.gz KZASHCVFJFHTHP-RDJZCZTQSA-N 1 0 392.272 4.155 20 0 GIADRO Cc1ccc2cc(C[NH+]3CCC(C(=O)Nc4ccc(Cl)cn4)CC3)ccc2n1 ZINC000189726605 823482866 /nfs/dbraw/zinc/48/28/66/823482866.db2.gz CECCOHCKIYFLDZ-UHFFFAOYSA-N 1 0 394.906 4.442 20 0 GIADRO CC1CC[NH+]([C@@H](CNC(=O)NCc2ccccc2F)c2cccs2)CC1 ZINC000029655178 820494231 /nfs/dbraw/zinc/49/42/31/820494231.db2.gz TZEZSLSGKVMHKE-SFHVURJKSA-N 1 0 375.513 4.160 20 0 GIADRO COc1cc(NC(=O)CC[NH2+]C[C@@H](C)c2ccccc2)c(OC)cc1Cl ZINC000573357867 823483935 /nfs/dbraw/zinc/48/39/35/823483935.db2.gz GMYMULAWVJAFOK-CQSZACIVSA-N 1 0 376.884 4.079 20 0 GIADRO O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+](Cc2cc(-c3ccc(F)cc3)no2)C1 ZINC000029711047 820503061 /nfs/dbraw/zinc/50/30/61/820503061.db2.gz GIYFQLKBLGTCQS-QGZVFWFLSA-N 1 0 379.435 4.331 20 0 GIADRO Cc1ccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc1-c1ncco1 ZINC000189735705 823484564 /nfs/dbraw/zinc/48/45/64/823484564.db2.gz VTCILKHBMLOEIA-VQTJNVASSA-N 1 0 376.460 4.217 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)[C@H]3C[C@@H]3c3ccc(F)cc3)c(C)c2)CC1 ZINC000029770991 820513725 /nfs/dbraw/zinc/51/37/25/820513725.db2.gz HHVMNYARRUMMRF-RTWAWAEBSA-N 1 0 381.495 4.018 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3occc3-c3ccccc3)cc2)CC1 ZINC000029798894 820520890 /nfs/dbraw/zinc/52/08/90/820520890.db2.gz AXZXLTARPLSPGJ-UHFFFAOYSA-N 1 0 375.472 4.341 20 0 GIADRO CCN(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029827028 820525941 /nfs/dbraw/zinc/52/59/41/820525941.db2.gz RFGYYMINKFKXFR-LJQANCHMSA-N 1 0 377.488 4.056 20 0 GIADRO C[C@@H]1CCc2ccccc2N1C(=O)C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029827953 820526508 /nfs/dbraw/zinc/52/65/08/820526508.db2.gz IBSDTRJBIXRULA-IEBWSBKVSA-N 1 0 389.499 4.375 20 0 GIADRO C[C@H](C(=O)NCCC1=CCCCC1)[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029827223 820526660 /nfs/dbraw/zinc/52/66/60/820526660.db2.gz WIYSCHNWESNGQX-IEBWSBKVSA-N 1 0 381.520 4.402 20 0 GIADRO C[C@@H](C(=O)NCCC1=CCCCC1)[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029827226 820526843 /nfs/dbraw/zinc/52/68/43/820526843.db2.gz WIYSCHNWESNGQX-PKOBYXMFSA-N 1 0 381.520 4.402 20 0 GIADRO C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029827487 820526892 /nfs/dbraw/zinc/52/68/92/820526892.db2.gz LXHRLKAGQJHERQ-DOTOQJQBSA-N 1 0 397.906 4.366 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)c3ccccc3OC3CC3)C2)s1 ZINC000573378685 823486370 /nfs/dbraw/zinc/48/63/70/823486370.db2.gz SJSFBYTXDMUAMM-QGZVFWFLSA-N 1 0 384.545 4.192 20 0 GIADRO C[NH+](C)CCOc1cccc(CNC(=O)Nc2ccc(OC3CCCC3)cc2)c1 ZINC000410398716 823486443 /nfs/dbraw/zinc/48/64/43/823486443.db2.gz AMVBRESZLCPUAW-UHFFFAOYSA-N 1 0 397.519 4.270 20 0 GIADRO CC[C@@](C)(O)C[N@H+](Cc1ccccc1)Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000189745407 823486550 /nfs/dbraw/zinc/48/65/50/823486550.db2.gz LYHWMRMTEFVBJM-XMMPIXPASA-N 1 0 380.532 4.086 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000059123003 823486493 /nfs/dbraw/zinc/48/64/93/823486493.db2.gz WITBPIUNKZGJAL-UHFFFAOYSA-N 1 0 392.421 4.288 20 0 GIADRO CC[C@@H](CNC(=O)c1nc(-c2ccccc2)oc1C)[N@@H+]1CCc2ccccc2C1 ZINC000029908908 820545905 /nfs/dbraw/zinc/54/59/05/820545905.db2.gz ZJRIMIXDOTVAEP-NRFANRHFSA-N 1 0 389.499 4.217 20 0 GIADRO CC[C@H](CNC(=O)CSCc1ccc(F)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000029908208 820546193 /nfs/dbraw/zinc/54/61/93/820546193.db2.gz ROUPRCHUXYABMP-OAQYLSRUSA-N 1 0 386.536 4.012 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)Nc2nc3c(cccc3COC)s2)c1 ZINC000573395604 823487677 /nfs/dbraw/zinc/48/76/77/823487677.db2.gz SUOFLWCKKXHLMS-UHFFFAOYSA-N 1 0 398.532 4.216 20 0 GIADRO C[NH+](C)Cc1ccc(NC(=O)c2cccc(NC(=O)c3cccs3)c2)cc1 ZINC000029952632 820556261 /nfs/dbraw/zinc/55/62/61/820556261.db2.gz JZRYBIQSVUEVJJ-UHFFFAOYSA-N 1 0 379.485 4.314 20 0 GIADRO COc1cccc(OC)c1OCCCC[N@@H+]1C[C@H](c2ccccc2)OC[C@H]1C ZINC000573402625 823488869 /nfs/dbraw/zinc/48/88/69/823488869.db2.gz HYQUSLVIQOPNQU-XMSQKQJNSA-N 1 0 385.504 4.325 20 0 GIADRO COc1cccc([C@H](CNC(=O)c2cc(-c3cccc(Cl)c3)on2)[NH+](C)C)c1 ZINC000030017146 820570263 /nfs/dbraw/zinc/57/02/63/820570263.db2.gz DCMFPLDBXNBATI-IBGZPJMESA-N 1 0 399.878 4.036 20 0 GIADRO Cc1ccc(-c2nc(C(=O)N3c4ccc(C)cc4[C@@H]4C[N@H+](C)CC[C@@H]43)cs2)o1 ZINC000123304954 823493585 /nfs/dbraw/zinc/49/35/85/823493585.db2.gz UJOTVCSFGYNIBR-LPHOPBHVSA-N 1 0 393.512 4.468 20 0 GIADRO CCOc1ccc2cc(C(=O)NCc3ccccc3C[NH+]3CCCCC3)[nH]c2c1 ZINC000059363531 823493613 /nfs/dbraw/zinc/49/36/13/823493613.db2.gz UKLLTKYYRVDDRO-UHFFFAOYSA-N 1 0 391.515 4.483 20 0 GIADRO O=c1ccccn1Cc1ccc(C[NH2+]Cc2cnc(-c3cccs3)s2)cc1 ZINC000177571879 823493724 /nfs/dbraw/zinc/49/37/24/823493724.db2.gz UZDVALBRFGKLKU-UHFFFAOYSA-N 1 0 393.537 4.371 20 0 GIADRO CC(C)[C@@H](C)[N@H+](C)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000030149220 820578903 /nfs/dbraw/zinc/57/89/03/820578903.db2.gz PZLJJNBYSGZWJO-GDBMZVCRSA-N 1 0 375.563 4.464 20 0 GIADRO CC(C)[C@H](C)[N@H+](C)CC(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 ZINC000030149026 820579015 /nfs/dbraw/zinc/57/90/15/820579015.db2.gz HHLXOUZDQAKJFM-ROUUACIJSA-N 1 0 381.520 4.092 20 0 GIADRO O=C(Nc1ccc(F)cc1)NC1CC[NH+](Cc2cnc3ccccc3c2)CC1 ZINC000410425769 823493915 /nfs/dbraw/zinc/49/39/15/823493915.db2.gz YAVMSESPHYHTES-UHFFFAOYSA-N 1 0 378.451 4.160 20 0 GIADRO O=S(=O)(CC[NH2+]Cc1cnc(-c2cccs2)s1)c1ccc(Cl)cc1 ZINC000177572835 823494064 /nfs/dbraw/zinc/49/40/64/823494064.db2.gz DREWCHHMMVXUFM-UHFFFAOYSA-N 1 0 398.962 4.089 20 0 GIADRO CC[N@H+](Cc1cc(=O)n2ccsc2n1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000123309000 823494264 /nfs/dbraw/zinc/49/42/64/823494264.db2.gz JEKMITFDEYFHPE-LBPRGKRZSA-N 1 0 381.423 4.358 20 0 GIADRO C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2C(=O)NC2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000410428512 823494931 /nfs/dbraw/zinc/49/49/31/823494931.db2.gz YMCBLNPRRYHHMN-UMSONDCASA-N 1 0 378.516 4.287 20 0 GIADRO Cc1cc(C(C)(C)C(=O)NC2CC([NH+]3CCCCC3)C2)ccc1Br ZINC000573412973 823490537 /nfs/dbraw/zinc/49/05/37/823490537.db2.gz PYVJDPJKPNFXQB-UHFFFAOYSA-N 1 0 393.369 4.168 20 0 GIADRO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000573413340 823490825 /nfs/dbraw/zinc/49/08/25/823490825.db2.gz ZERXGXXOGFFCMI-XZOQPEGZSA-N 1 0 379.548 4.390 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cc(F)ccc2F)ccc1OC(C)C ZINC000030492714 820623260 /nfs/dbraw/zinc/62/32/60/820623260.db2.gz IKXACKHMULYONU-KGLIPLIRSA-N 1 0 392.446 4.438 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1cc(Cl)ccc1Br)c1cccs1 ZINC000030512066 820628758 /nfs/dbraw/zinc/62/87/58/820628758.db2.gz AJTXZXHEZFDEGZ-ZDUSSCGKSA-N 1 0 387.730 4.197 20 0 GIADRO CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+][C@H](c2ccc(C(C)C)cc2)C(C)C)cc1 ZINC000030530720 820633375 /nfs/dbraw/zinc/63/33/75/820633375.db2.gz BQKPAVZJNPEPRK-UPVQGACJSA-N 1 0 398.547 4.495 20 0 GIADRO COc1ccc(C([NH2+]C[C@H](O)c2ccc(F)cc2)c2ccc(OC)cc2)cc1 ZINC000030536270 820634714 /nfs/dbraw/zinc/63/47/14/820634714.db2.gz FQKLWSQKOQLVHV-QFIPXVFZSA-N 1 0 381.447 4.256 20 0 GIADRO C[C@@H]([NH2+]C[C@H](O)Cn1c2ccccc2c2ccccc21)c1ccc2c(c1)OCO2 ZINC000030535690 820634860 /nfs/dbraw/zinc/63/48/60/820634860.db2.gz UKVHRDQPZUCGDB-AEFFLSMTSA-N 1 0 388.467 4.235 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccc(Cl)cc2)cc1Br ZINC000030537358 820635746 /nfs/dbraw/zinc/63/57/46/820635746.db2.gz GPYPESKMYQVDTB-BZNIZROVSA-N 1 0 384.701 4.495 20 0 GIADRO CN(C)[C@H](C[NH2+]Cc1ccccc1OCc1cccnc1)c1cccc(F)c1 ZINC000030543673 820636397 /nfs/dbraw/zinc/63/63/97/820636397.db2.gz YRONKZPUQBYEAU-JOCHJYFZSA-N 1 0 379.479 4.192 20 0 GIADRO COc1cc(C[NH2+]CC2(N(C)C)CCCCC2)ccc1OCc1ccncc1 ZINC000030545067 820637293 /nfs/dbraw/zinc/63/72/93/820637293.db2.gz WCGJHRBXUPFMHY-UHFFFAOYSA-N 1 0 383.536 4.023 20 0 GIADRO Cc1ccc(NC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)c(Br)c1 ZINC000059356527 823492893 /nfs/dbraw/zinc/49/28/93/823492893.db2.gz TUSQFRHLBBTYNK-KRWDZBQOSA-N 1 0 394.288 4.321 20 0 GIADRO CC(C)(C)c1nnc(C[NH2+][C@H]2CCc3cccc(Br)c3C2)s1 ZINC000573464122 823493108 /nfs/dbraw/zinc/49/31/08/823493108.db2.gz RONABGFGJLPQJJ-LBPRGKRZSA-N 1 0 380.355 4.245 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2ccc(OCc3cccnc3)cc2)c1 ZINC000030630173 820653539 /nfs/dbraw/zinc/65/35/39/820653539.db2.gz WGOGILNAWSOWTM-QGZVFWFLSA-N 1 0 375.472 4.470 20 0 GIADRO c1ccc2c(c1)CCN2Cc1ccc(C[NH2+]Cc2ccc3c(c2)OCCO3)cc1 ZINC000030639829 820656514 /nfs/dbraw/zinc/65/65/14/820656514.db2.gz WTZREXZUKMHLPN-UHFFFAOYSA-N 1 0 386.495 4.310 20 0 GIADRO Cc1nc(CC[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)cs1 ZINC000030662669 820660591 /nfs/dbraw/zinc/66/05/91/820660591.db2.gz HYOKEMFHICEEHM-UHFFFAOYSA-N 1 0 389.528 4.091 20 0 GIADRO COc1ccc(C(=O)Nc2cccc(C[NH2+]C[C@H](CC(C)C)N(C)C)c2)cc1 ZINC000030663783 820661491 /nfs/dbraw/zinc/66/14/91/820661491.db2.gz XEVAVKNEQPHLJH-NRFANRHFSA-N 1 0 383.536 4.013 20 0 GIADRO O=C(CC[NH+]1CCC(OC[C@@H]2CCCCO2)CC1)Nc1cccc2ccccc21 ZINC000177582354 823496115 /nfs/dbraw/zinc/49/61/15/823496115.db2.gz ZXIAXCHQOMKDQY-NRFANRHFSA-N 1 0 396.531 4.219 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc(NC(=O)CC(C)(C)C)ccc1Cl ZINC000460727881 823496603 /nfs/dbraw/zinc/49/66/03/823496603.db2.gz PFSNZNBVZTXHKV-HNNXBMFYSA-N 1 0 393.959 4.319 20 0 GIADRO COc1ccc(CCC(=O)Nc2ccc(C[NH+](C)C)cc2)cc1Br ZINC000030774343 820681116 /nfs/dbraw/zinc/68/11/16/820681116.db2.gz OGRJYMYIPQRLRO-UHFFFAOYSA-N 1 0 391.309 4.091 20 0 GIADRO CC(C)(C)c1cc(C(=O)NC[C@H](c2cccc(Cl)c2)N2CCCC2)no1 ZINC000460729231 823497243 /nfs/dbraw/zinc/49/72/43/823497243.db2.gz WWCSXERCRNHTIB-QGZVFWFLSA-N 1 0 375.900 4.192 20 0 GIADRO O=C(NCc1ccc(F)cc1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000030991369 820717096 /nfs/dbraw/zinc/71/70/96/820717096.db2.gz XCWXKGBHTNJFGP-UHFFFAOYSA-N 1 0 377.463 4.006 20 0 GIADRO C[C@H](CC(=O)Nc1ccccc1)[NH2+]Cc1nccn1CCCc1ccccc1 ZINC000177607735 823500089 /nfs/dbraw/zinc/50/00/89/823500089.db2.gz FJRJIPJLCMKCLA-LJQANCHMSA-N 1 0 376.504 4.023 20 0 GIADRO COc1ccc2nc(NC(=O)[C@H]3CCC[N@H+](Cc4ccccc4)C3)sc2c1 ZINC000059951514 823503788 /nfs/dbraw/zinc/50/37/88/823503788.db2.gz SQELYZCENASQSS-INIZCTEOSA-N 1 0 381.501 4.156 20 0 GIADRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)c2ccc3[nH]cnc3c2)cc1 ZINC000031077581 820735618 /nfs/dbraw/zinc/73/56/18/820735618.db2.gz RBDFJXQFVDGJCQ-UHFFFAOYSA-N 1 0 384.483 4.222 20 0 GIADRO Cn1c(C[NH2+]CCc2nc(-c3ccccn3)cs2)nc2cc(Cl)ccc21 ZINC000123386616 823504152 /nfs/dbraw/zinc/50/41/52/823504152.db2.gz JGJOKFGBFGVWKH-UHFFFAOYSA-N 1 0 383.908 4.078 20 0 GIADRO CC(C)c1cc(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c2cnn(C(C)C)c2n1 ZINC000059983564 823504184 /nfs/dbraw/zinc/50/41/84/823504184.db2.gz VGEMDIIGDIHTKU-QGZVFWFLSA-N 1 0 399.583 4.376 20 0 GIADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cc(-c2ccncc2)nc2ccccc21 ZINC000059995670 823504496 /nfs/dbraw/zinc/50/44/96/823504496.db2.gz VDHMZTDZKSXAIB-QZTJIDSGSA-N 1 0 388.515 4.147 20 0 GIADRO CCN(CC)C(=O)Cc1ccc(NC(=O)c2ccc(C[NH+](CC)CC)cc2)cc1 ZINC000031116043 820745807 /nfs/dbraw/zinc/74/58/07/820745807.db2.gz KVMGKFJQAIBGAQ-UHFFFAOYSA-N 1 0 395.547 4.192 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)N[C@H]1CCSc2c(F)cccc21 ZINC000031124732 820747037 /nfs/dbraw/zinc/74/70/37/820747037.db2.gz KWROGCGEGLAOFG-FQEVSTJZSA-N 1 0 399.535 4.458 20 0 GIADRO CC(C)(C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1ccccc1 ZINC000060021093 823505173 /nfs/dbraw/zinc/50/51/73/823505173.db2.gz BTMPDAHKWWCDCY-UHFFFAOYSA-N 1 0 377.532 4.135 20 0 GIADRO Cc1cc(OCc2ccccc2)c(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)s1 ZINC000410588518 823505598 /nfs/dbraw/zinc/50/55/98/823505598.db2.gz JQIUCAHCDBEAIA-RTBURBONSA-N 1 0 384.545 4.192 20 0 GIADRO COc1ccc(OC)c([C@@H](C)NC(=O)C[N@@H+](Cc2ccccc2)CC2CCC2)c1 ZINC000060041796 823505658 /nfs/dbraw/zinc/50/56/58/823505658.db2.gz BALVKSDFWPQGKC-GOSISDBHSA-N 1 0 396.531 4.183 20 0 GIADRO C[C@H](C1CC1)n1cc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC000189816148 823500986 /nfs/dbraw/zinc/50/09/86/823500986.db2.gz ZOCSLLCVVLISGT-YRBBNYTNSA-N 1 0 393.535 4.171 20 0 GIADRO Cc1ccc(NC(=O)c2ccc(NC(=O)N(C)C)cc2Cl)c(C[NH+](C)C)c1 ZINC000123363003 823501579 /nfs/dbraw/zinc/50/15/79/823501579.db2.gz UKLIWXABGNHWKY-UHFFFAOYSA-N 1 0 388.899 4.056 20 0 GIADRO COc1ccc(-c2nc(C)c(C(=O)Nc3ccccc3C[NH+](C)C)s2)cc1 ZINC000031232323 820775192 /nfs/dbraw/zinc/77/51/92/820775192.db2.gz KXKXVSLKHNPHJH-UHFFFAOYSA-N 1 0 381.501 4.441 20 0 GIADRO Cc1ccc(OCc2nc(C[NH2+]CC[C@](C)(O)c3ccccc3)cs2)cc1 ZINC000189824879 823502686 /nfs/dbraw/zinc/50/26/86/823502686.db2.gz ICLTYZKTVNYRQQ-QFIPXVFZSA-N 1 0 382.529 4.418 20 0 GIADRO COc1ccc([C@@H](CCO)[NH2+]Cc2ccc(Br)c(Cl)c2)cc1 ZINC000189824815 823502709 /nfs/dbraw/zinc/50/27/09/823502709.db2.gz ZCBRCPBEEWXUKE-QGZVFWFLSA-N 1 0 384.701 4.324 20 0 GIADRO Cc1cccc(COc2cccc(C(=O)NC[C@H]3CCC[N@@H+](C(C)C)C3)c2)c1 ZINC000060207379 823511824 /nfs/dbraw/zinc/51/18/24/823511824.db2.gz OGYDNOYSAVTVOY-OAQYLSRUSA-N 1 0 380.532 4.424 20 0 GIADRO C[C@@H](Sc1ccnc2cc(Cl)ccc21)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000177678103 823512460 /nfs/dbraw/zinc/51/24/60/823512460.db2.gz OIJKPGKHNZUFHS-BMFZPTHFSA-N 1 0 389.952 4.064 20 0 GIADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+]Cc1nccn1CCCc1ccccc1 ZINC000123419558 823507349 /nfs/dbraw/zinc/50/73/49/823507349.db2.gz GWOJKHUBAYPCBJ-VQTJNVASSA-N 1 0 398.551 4.051 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCc1nc2c(s1)CCCC2)CC3 ZINC000123423043 823507802 /nfs/dbraw/zinc/50/78/02/823507802.db2.gz CBUXNJHIZPPAIW-CQSZACIVSA-N 1 0 381.545 4.201 20 0 GIADRO NC(=O)c1csc(C[NH2+][C@H](CC2CC2)c2cc(F)cc(Br)c2)c1 ZINC000189902500 823512060 /nfs/dbraw/zinc/51/20/60/823512060.db2.gz DZUWCFCKYFQNIT-MRXNPFEDSA-N 1 0 397.313 4.380 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)c2cn(-c3ccccc3)nc2-c2cccs2)CC[N@@H+]1C ZINC000123436583 823508921 /nfs/dbraw/zinc/50/89/21/823508921.db2.gz XARCFKSANHGSTQ-FUHWJXTLSA-N 1 0 394.544 4.156 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)c2cn(-c3ccccc3)nc2-c2cccs2)CC[N@@H+]1C ZINC000123436345 823508933 /nfs/dbraw/zinc/50/89/33/823508933.db2.gz XARCFKSANHGSTQ-SJLPKXTDSA-N 1 0 394.544 4.156 20 0 GIADRO COc1ccc(Cl)cc1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000060220837 823512495 /nfs/dbraw/zinc/51/24/95/823512495.db2.gz NOJPQGUBVGZUNJ-UHFFFAOYSA-N 1 0 376.909 4.150 20 0 GIADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2sccc2-n2cccc2)CC1 ZINC000031765498 820856575 /nfs/dbraw/zinc/85/65/75/820856575.db2.gz UFPLLYVQFIWINL-UHFFFAOYSA-N 1 0 379.529 4.195 20 0 GIADRO C[C@@H](C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1)n1cnc2ccccc21 ZINC000031812512 820864065 /nfs/dbraw/zinc/86/40/65/820864065.db2.gz WOEJBUWDVQJWCY-PXNSSMCTSA-N 1 0 396.560 4.248 20 0 GIADRO CC[NH+](CC)[C@H](C)CNC(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000031825496 820866314 /nfs/dbraw/zinc/86/63/14/820866314.db2.gz ZEXAWVOXYXKXKJ-LJQANCHMSA-N 1 0 390.531 4.059 20 0 GIADRO C[C@@H](Oc1cccc(Cl)c1)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000060159607 823510482 /nfs/dbraw/zinc/51/04/82/823510482.db2.gz YYKIVSOYGOFDAP-MJGOQNOKSA-N 1 0 386.923 4.136 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1nnc(-c2ccccc2)s1)CC3 ZINC000123456475 823510665 /nfs/dbraw/zinc/51/06/65/823510665.db2.gz VHLBPVAFIFNVSV-HNNXBMFYSA-N 1 0 390.512 4.342 20 0 GIADRO OCCn1nccc1C1CC[NH+](Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000177666651 823510752 /nfs/dbraw/zinc/51/07/52/823510752.db2.gz GLAHBBANBWQWQT-UHFFFAOYSA-N 1 0 377.488 4.047 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(OC(F)(F)F)cc1)c1ccsc1 ZINC000031987382 820884707 /nfs/dbraw/zinc/88/47/07/820884707.db2.gz GFUZBPFEXAZZMK-INIZCTEOSA-N 1 0 386.439 4.460 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(Br)cc1)c1ccsc1 ZINC000031987954 820885656 /nfs/dbraw/zinc/88/56/56/820885656.db2.gz VRCTWVFEHIFKHV-MRXNPFEDSA-N 1 0 381.339 4.324 20 0 GIADRO Cc1nc([C@H]2CCCN2C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cs1 ZINC000189898338 823511622 /nfs/dbraw/zinc/51/16/22/823511622.db2.gz GSPMHDSTDVKLIU-WOJBJXKFSA-N 1 0 384.549 4.135 20 0 GIADRO Cc1ccc(OCCCC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)cc1 ZINC000060221164 823512597 /nfs/dbraw/zinc/51/25/97/823512597.db2.gz CVNXJPQIBQWLEM-UHFFFAOYSA-N 1 0 398.572 4.384 20 0 GIADRO CC(C)[NH+]1CCN(c2ccc(C(=O)N3CC[C@@H](C)c4ccccc43)cc2)CC1 ZINC000060219961 823512630 /nfs/dbraw/zinc/51/26/30/823512630.db2.gz WTMJEPHPCUPKIS-LJQANCHMSA-N 1 0 377.532 4.371 20 0 GIADRO CCSc1cccc(NC(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)c1 ZINC000189917731 823513633 /nfs/dbraw/zinc/51/36/33/823513633.db2.gz WDESQESFYYBOHQ-UHFFFAOYSA-N 1 0 397.544 4.014 20 0 GIADRO CC(C)[NH+](CCNC(=O)c1c2c(sc1-n1cccc1)CSCC2)C(C)C ZINC000032244533 820904859 /nfs/dbraw/zinc/90/48/59/820904859.db2.gz JNLVHYIEVIAMRH-UHFFFAOYSA-N 1 0 391.606 4.177 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)c2cc3ccc(Cl)cc3[nH]2)CC1 ZINC000032314212 820913470 /nfs/dbraw/zinc/91/34/70/820913470.db2.gz JTKQGLFTEGEODL-UHFFFAOYSA-N 1 0 382.895 4.216 20 0 GIADRO Cc1ccc(Br)cc1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000460795929 823514782 /nfs/dbraw/zinc/51/47/82/823514782.db2.gz QOSKLSCOTLFYEL-UHFFFAOYSA-N 1 0 387.321 4.283 20 0 GIADRO COc1cc(C2(C(=O)NC[C@@H]3CCCC[N@@H+]3Cc3ccccc3)CC2)ccc1C ZINC000060322889 823515644 /nfs/dbraw/zinc/51/56/44/823515644.db2.gz ZGMUWVWLAJYHCQ-QFIPXVFZSA-N 1 0 392.543 4.206 20 0 GIADRO C[C@@H]([NH2+]Cc1ccccc1N1CCOCC1)c1ccc(Br)s1 ZINC000177716750 823516025 /nfs/dbraw/zinc/51/60/25/823516025.db2.gz WANPMYUDLUODSY-CYBMUJFWSA-N 1 0 381.339 4.198 20 0 GIADRO CC[C@H](CNC(=O)Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000032447024 820945711 /nfs/dbraw/zinc/94/57/11/820945711.db2.gz UNYFGKBITUPQJV-HXUWFJFHSA-N 1 0 390.449 4.201 20 0 GIADRO C[C@@H]([NH2+]C[C@H](O)COc1cccc2[nH]ccc21)c1ccc(Br)cc1 ZINC000177731470 823518137 /nfs/dbraw/zinc/51/81/37/823518137.db2.gz LQPCURBMIYNQQP-CJNGLKHVSA-N 1 0 389.293 4.021 20 0 GIADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc(-c3ccc(C)cc3)o2)cc1 ZINC000123517450 823516513 /nfs/dbraw/zinc/51/65/13/823516513.db2.gz HPQREAJNAAPZNN-MRXNPFEDSA-N 1 0 384.501 4.014 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cccc(C2SCCS2)c1 ZINC000177720028 823516534 /nfs/dbraw/zinc/51/65/34/823516534.db2.gz XTITXEFZZAXEFH-SJORKVTESA-N 1 0 377.579 4.256 20 0 GIADRO O=C(Nc1ccc(Cl)cc1-n1cccn1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000189946171 823516825 /nfs/dbraw/zinc/51/68/25/823516825.db2.gz FHOKVNVVZRCXSO-HNAYVOBHSA-N 1 0 399.926 4.006 20 0 GIADRO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000032483749 820957863 /nfs/dbraw/zinc/95/78/63/820957863.db2.gz WRMQLJLFNXQXQC-LRDDRELGSA-N 1 0 399.293 4.319 20 0 GIADRO Cc1cc(Oc2ncccn2)ccc1NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000060351014 823518228 /nfs/dbraw/zinc/51/82/28/823518228.db2.gz DZZGQIMGGNRBFW-NRFANRHFSA-N 1 0 388.471 4.180 20 0 GIADRO Cc1cc(C)n(-c2ccc(C[N@@H+](C)[C@@H](C)c3ccc([S@](C)=O)cc3)cc2)n1 ZINC000177727756 823517420 /nfs/dbraw/zinc/51/74/20/823517420.db2.gz XBKOVBIAJUZPJP-MYUZEXMDSA-N 1 0 381.545 4.420 20 0 GIADRO CCCc1cccc(C(C)C)c1NC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000189953860 823517468 /nfs/dbraw/zinc/51/74/68/823517468.db2.gz WZEPDBVIEUQNPR-UHFFFAOYSA-N 1 0 387.568 4.339 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)CCCOc2ccccc2Cl)[NH+]2CCCC2)o1 ZINC000060354811 823518752 /nfs/dbraw/zinc/51/87/52/823518752.db2.gz AKIYZERIOAVJRX-GOSISDBHSA-N 1 0 390.911 4.354 20 0 GIADRO Cc1c(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)cnn1-c1ccccc1C ZINC000060397799 823523599 /nfs/dbraw/zinc/52/35/99/823523599.db2.gz TZVNNKBOLDIRRJ-UHFFFAOYSA-N 1 0 394.563 4.217 20 0 GIADRO COc1cccc([C@@H](CNC(=O)[C@H]2CCSc3ccccc32)[NH+]2CCCC2)c1 ZINC000460811699 823519386 /nfs/dbraw/zinc/51/93/86/823519386.db2.gz MAVZQKDFILWTFG-LEWJYISDSA-N 1 0 396.556 4.228 20 0 GIADRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cccc(O)c1 ZINC000060358914 823519454 /nfs/dbraw/zinc/51/94/54/823519454.db2.gz RLNTUHHDDVEOBV-UHFFFAOYSA-N 1 0 395.330 4.222 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)C(=O)NCCC1=CCCC1)C1CCCCC1 ZINC000123545783 823519706 /nfs/dbraw/zinc/51/97/06/823519706.db2.gz GXSWNJROXXWBHE-UHFFFAOYSA-N 1 0 383.536 4.006 20 0 GIADRO COCc1cc([C@H](C)[NH2+]Cc2ccccc2-n2nc(C)cc2C)ccc1OC ZINC000123550148 823520075 /nfs/dbraw/zinc/52/00/75/823520075.db2.gz FBGWDXFGQYEWGJ-SFHVURJKSA-N 1 0 379.504 4.495 20 0 GIADRO COc1cc(Br)ccc1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccccc1C ZINC000189976827 823520116 /nfs/dbraw/zinc/52/01/16/823520116.db2.gz GLVQCTOGQLEHQR-KBPBESRZSA-N 1 0 391.309 4.444 20 0 GIADRO CCC[C@@H]([NH2+]Cc1sc(C)nc1C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000123550033 823520211 /nfs/dbraw/zinc/52/02/11/823520211.db2.gz PCLZGIMXTHJKMN-LJQANCHMSA-N 1 0 386.565 4.257 20 0 GIADRO C[C@@H]1C[N@@H+](CC2CCN(C(=O)Nc3cccc4ccccc43)CC2)C[C@H](C)O1 ZINC000060368175 823520275 /nfs/dbraw/zinc/52/02/75/823520275.db2.gz SQYKVMQXISADKK-HDICACEKSA-N 1 0 381.520 4.193 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)CSCc1cccc(Cl)c1)c1cccc(F)c1 ZINC000032728653 820997968 /nfs/dbraw/zinc/99/79/68/820997968.db2.gz CYKQYHYBNSOUFT-GOSISDBHSA-N 1 0 380.916 4.131 20 0 GIADRO Cc1ccc(-c2nc(C)c(C(=O)NC[C@@H](c3cccc(F)c3)[NH+](C)C)s2)o1 ZINC000032731429 820998540 /nfs/dbraw/zinc/99/85/40/820998540.db2.gz MMEZSCUDHOQXGH-INIZCTEOSA-N 1 0 387.480 4.192 20 0 GIADRO O=C(N[C@H](c1cccs1)c1ccc2c(c1)CCCC2)[C@@H]1CCn2cncc2C1 ZINC000123550956 823520427 /nfs/dbraw/zinc/52/04/27/823520427.db2.gz BXUNRFOMVSMAFZ-KNQAVFIVSA-N 1 0 391.540 4.292 20 0 GIADRO COc1cc(F)c([C@H](C)[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)cc1OC ZINC000177750067 823520446 /nfs/dbraw/zinc/52/04/46/823520446.db2.gz QJUOKCUDEQRWMH-KBPBESRZSA-N 1 0 388.439 4.211 20 0 GIADRO COc1ccc(-c2nc(C)c(C(=O)NC[C@@H](C)[N@@H+]3CCCC[C@@H]3C)s2)cc1 ZINC000032733750 821000460 /nfs/dbraw/zinc/00/04/60/821000460.db2.gz ZPNIXNHYTHUMEY-LSDHHAIUSA-N 1 0 387.549 4.120 20 0 GIADRO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000032737103 821000847 /nfs/dbraw/zinc/00/08/47/821000847.db2.gz ZOQOMWGUSWFAIT-STQMWFEESA-N 1 0 393.890 4.435 20 0 GIADRO O=C(/C=C/c1ccc2ccccc2n1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000032761373 821003937 /nfs/dbraw/zinc/00/39/37/821003937.db2.gz GPTWYRJERQUJAN-YVNCXZRQSA-N 1 0 377.513 4.263 20 0 GIADRO O=C(Cc1ccc(Br)cc1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000032763296 821005017 /nfs/dbraw/zinc/00/50/17/821005017.db2.gz LIWUUYUMSOOHKN-INIZCTEOSA-N 1 0 393.350 4.006 20 0 GIADRO CC(C)c1ccc(-c2ncc(CN3CC[NH+](C4CCOCC4)CC3)s2)cc1 ZINC000177754786 823521000 /nfs/dbraw/zinc/52/10/00/823521000.db2.gz RWQTWMHTJWIBOZ-UHFFFAOYSA-N 1 0 385.577 4.230 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)cc1)c1ccc(N2CCOC2=O)cc1 ZINC000177754578 823521017 /nfs/dbraw/zinc/52/10/17/823521017.db2.gz GOIREBMAPCJBRK-SJORKVTESA-N 1 0 376.460 4.241 20 0 GIADRO C[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1F)c1ccc(OCC(F)(F)F)cc1 ZINC000177754806 823521040 /nfs/dbraw/zinc/52/10/40/823521040.db2.gz ZZEUXOYUWQUBIF-DIFFPNOSSA-N 1 0 375.337 4.290 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1c(C)cc(Br)cc1C ZINC000177761189 823521918 /nfs/dbraw/zinc/52/19/18/823521918.db2.gz VGKJZPNXLDEZEN-CVEARBPZSA-N 1 0 380.330 4.156 20 0 GIADRO CCCc1cccc(C(C)C)c1NC(=O)N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1 ZINC000189989298 823522424 /nfs/dbraw/zinc/52/24/24/823522424.db2.gz OJBRJOGDDXJYQX-HDICACEKSA-N 1 0 375.557 4.335 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)c2cc3c(s2)-c2ccccc2OC3)c1 ZINC000033085210 821032118 /nfs/dbraw/zinc/03/21/18/821032118.db2.gz HWNMKQPBCRKADH-UHFFFAOYSA-N 1 0 378.497 4.299 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)C2(c3cccc(Br)c3)CC2)CC1 ZINC000060394610 823523323 /nfs/dbraw/zinc/52/33/23/823523323.db2.gz AIUJEYTVYQRHPS-UHFFFAOYSA-N 1 0 393.369 4.060 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl ZINC000177817752 823530024 /nfs/dbraw/zinc/53/00/24/823530024.db2.gz GDBBYWSGWNTVGN-BDAKNGLRSA-N 1 0 397.133 4.394 20 0 GIADRO C[NH+](C)[C@@H](CNc1ncc(C(=O)N2CCCCC2)cc1Cl)c1cccs1 ZINC000060445851 823528557 /nfs/dbraw/zinc/52/85/57/823528557.db2.gz MTFASBVNQJDZMH-INIZCTEOSA-N 1 0 392.956 4.137 20 0 GIADRO C[NH+](C)[C@@H](CNc1ncc(C(=O)N2CCCCC2)cc1Cl)c1ccccc1 ZINC000060445789 823528664 /nfs/dbraw/zinc/52/86/64/823528664.db2.gz XYIWCMYQROEWDT-IBGZPJMESA-N 1 0 386.927 4.076 20 0 GIADRO O=C(Cc1ccc(Cl)cc1)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000036099583 821068704 /nfs/dbraw/zinc/06/87/04/821068704.db2.gz UFVIWEPUYCXVBC-IBGZPJMESA-N 1 0 377.315 4.489 20 0 GIADRO Cc1ncc([C@@H](C)[NH2+]C[C@H](O)c2cccc(OCc3ccccc3)c2)c(C)n1 ZINC000123647371 823529024 /nfs/dbraw/zinc/52/90/24/823529024.db2.gz NMQOWEGKLHCRRH-MWTRTKDXSA-N 1 0 377.488 4.057 20 0 GIADRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)c2cn3ccnc3s2)cc1 ZINC000190038917 823529497 /nfs/dbraw/zinc/52/94/97/823529497.db2.gz IEGRDBKQCGLWQY-UHFFFAOYSA-N 1 0 390.512 4.054 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1c(C)onc1-c1ccccc1)c1ccccc1 ZINC000036692798 821076180 /nfs/dbraw/zinc/07/61/80/821076180.db2.gz DLVSWVBCJJKOJA-HXUWFJFHSA-N 1 0 377.488 4.463 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)c1ccccc1C(F)(F)F)c1cccc(N2CCOC2=O)c1 ZINC000177779477 823525087 /nfs/dbraw/zinc/52/50/87/823525087.db2.gz DFPLMSOAXOISPX-UGSOOPFHSA-N 1 0 394.393 4.046 20 0 GIADRO CCN(C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)[C@H]1CCOC(C)(C)C1 ZINC000460834317 823525081 /nfs/dbraw/zinc/52/50/81/823525081.db2.gz AHAAMMXVQCNZHO-NZQKXSOJSA-N 1 0 387.568 4.030 20 0 GIADRO O[C@@H](C[NH2+]Cc1ccc(Br)s1)c1cccc(Br)c1 ZINC000037984827 821093956 /nfs/dbraw/zinc/09/39/56/821093956.db2.gz RFBCTLYWJFNPOL-LBPRGKRZSA-N 1 0 391.128 4.096 20 0 GIADRO CC(C)[C@H](CC(F)(F)F)NC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460835616 823525547 /nfs/dbraw/zinc/52/55/47/823525547.db2.gz LPBBGKRPOOZYIG-QRVBRYPASA-N 1 0 397.485 4.127 20 0 GIADRO NC(=O)N1CCC([NH2+]Cc2ccccc2-c2ccc(Cl)cc2Cl)CC1 ZINC000123613053 823525696 /nfs/dbraw/zinc/52/56/96/823525696.db2.gz LKERENSTXSVRDZ-UHFFFAOYSA-N 1 0 378.303 4.293 20 0 GIADRO CC(C)n1cc([C@@H](C)[NH2+]C[C@H](O)c2cccc(OCc3ccccc3)c2)cn1 ZINC000123676985 823530731 /nfs/dbraw/zinc/53/07/31/823530731.db2.gz CBCWYKMBLRRDEX-JPYJTQIMSA-N 1 0 379.504 4.427 20 0 GIADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)Nc2cscc2C)CC1 ZINC000123677487 823530868 /nfs/dbraw/zinc/53/08/68/823530868.db2.gz YIEWRHIQDKSNLI-HNNXBMFYSA-N 1 0 390.528 4.220 20 0 GIADRO Cc1ccsc1[C@@H](C)[NH2+]Cc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000177822736 823531256 /nfs/dbraw/zinc/53/12/56/823531256.db2.gz OZEKSYJPLKDYME-MRXNPFEDSA-N 1 0 378.563 4.082 20 0 GIADRO Cc1ncccc1C(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000411025858 823535432 /nfs/dbraw/zinc/53/54/32/823535432.db2.gz WKMQRYSQLVQQAZ-JOCHJYFZSA-N 1 0 377.532 4.153 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccc(Br)s1 ZINC000177824794 823531679 /nfs/dbraw/zinc/53/16/79/823531679.db2.gz XNEFXZBQUJWYES-WDEREUQCSA-N 1 0 388.352 4.326 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CCOc2cccc(F)c2)C1 ZINC000060475238 823532145 /nfs/dbraw/zinc/53/21/45/823532145.db2.gz WUEOULYQAVTYPR-GOSISDBHSA-N 1 0 384.495 4.143 20 0 GIADRO COc1ccc(CC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)cc1F ZINC000060475254 823532202 /nfs/dbraw/zinc/53/22/02/823532202.db2.gz BGYGKEBJAGNVTI-QGZVFWFLSA-N 1 0 384.495 4.068 20 0 GIADRO CCCc1cc(NCC[C@@](O)(c2nccn2C)C(F)(F)F)c2ccccc2[nH+]1 ZINC000123696851 823532702 /nfs/dbraw/zinc/53/27/02/823532702.db2.gz LTWMEBSVHWIOKN-LJQANCHMSA-N 1 0 392.425 4.173 20 0 GIADRO COCCOc1ccc([C@H](C)[NH2+]Cc2cccc(Br)c2)cc1OC ZINC000061110376 823578629 /nfs/dbraw/zinc/57/86/29/823578629.db2.gz ZEOJEFLKJWQBMH-AWEZNQCLSA-N 1 0 394.309 4.334 20 0 GIADRO C[C@H](C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1)c1ccc(F)c(F)c1 ZINC000460869074 823532910 /nfs/dbraw/zinc/53/29/10/823532910.db2.gz FMFDLLYOENHSLJ-KRWDZBQOSA-N 1 0 386.486 4.439 20 0 GIADRO O=C(CCc1ccc(Cl)c(Cl)c1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000040653960 821163148 /nfs/dbraw/zinc/16/31/48/821163148.db2.gz NZXCTRVQUSPZTM-KRWDZBQOSA-N 1 0 381.303 4.472 20 0 GIADRO Cc1ccc(C(=O)CCC(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1 ZINC000040654359 821163189 /nfs/dbraw/zinc/16/31/89/821163189.db2.gz GYYOFBZCEPBVLL-JOCHJYFZSA-N 1 0 378.516 4.220 20 0 GIADRO COc1ccc(C[C@H]([NH2+]Cc2ccnc(OC)c2)c2ccc(OC)cc2)cc1 ZINC000177841577 823534706 /nfs/dbraw/zinc/53/47/06/823534706.db2.gz HSHZWFVZHSFTTD-QFIPXVFZSA-N 1 0 378.472 4.181 20 0 GIADRO Cc1nc(Cl)sc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000177842786 823534866 /nfs/dbraw/zinc/53/48/66/823534866.db2.gz BSCZKIBMCMUGNP-MQVJKMGUSA-N 1 0 375.925 4.030 20 0 GIADRO CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000460888013 823536334 /nfs/dbraw/zinc/53/63/34/823536334.db2.gz VGHIBKSPEJSOAS-FCHUYYIVSA-N 1 0 387.568 4.204 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cc(NC(=O)C(C)(C)C)ccc1C ZINC000177853081 823536622 /nfs/dbraw/zinc/53/66/22/823536622.db2.gz KOSXETHPOISEJB-MSOLQXFVSA-N 1 0 386.540 4.070 20 0 GIADRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3cc(F)c(F)cc3Cl)cc2)CC1 ZINC000041577831 821213342 /nfs/dbraw/zinc/21/33/42/821213342.db2.gz QYEVNTFOVABLNI-UHFFFAOYSA-N 1 0 393.865 4.008 20 0 GIADRO C[C@@H](Cn1ccnc1)[NH2+][C@@H](C)c1ccc(Br)cc1Br ZINC000041650549 821215784 /nfs/dbraw/zinc/21/57/84/821215784.db2.gz XKMQJULOLUFQAU-QWRGUYRKSA-N 1 0 387.119 4.147 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H](C)C(c2ccccc2)c2ccccc2)C1 ZINC000177856792 823537136 /nfs/dbraw/zinc/53/71/36/823537136.db2.gz VXMSKBJQPLSWBH-VQTJNVASSA-N 1 0 379.548 4.190 20 0 GIADRO 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 823537264 /nfs/dbraw/zinc/53/72/64/823537264.db2.gz MLNQCXLBCBBQFD-KANFNMMFSA-N 1 0 397.485 4.269 20 0 GIADRO C[C@H]([NH2+]C1CCN(C(=O)c2ccccc2)CC1)c1ccc(F)cc1OC(F)F ZINC000177858136 823537336 /nfs/dbraw/zinc/53/73/36/823537336.db2.gz BVFGQMKEEJMSDI-AWEZNQCLSA-N 1 0 392.421 4.383 20 0 GIADRO C[C@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1cccc(OC(F)(F)F)c1 ZINC000177859443 823537555 /nfs/dbraw/zinc/53/75/55/823537555.db2.gz DPQSOPNUILCMDW-ZDUSSCGKSA-N 1 0 382.382 4.134 20 0 GIADRO O=C(Cc1cccc2cccnc21)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000041816151 821233151 /nfs/dbraw/zinc/23/31/51/821233151.db2.gz XWOOUSPWOQFODN-NRFANRHFSA-N 1 0 393.918 4.384 20 0 GIADRO CCOc1c(Cl)cccc1CC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000190108340 823538099 /nfs/dbraw/zinc/53/80/99/823538099.db2.gz ZWHJZDSEORQPQN-RDJZCZTQSA-N 1 0 378.944 4.050 20 0 GIADRO C[C@H](C[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1)N1CCc2sccc2C1 ZINC000177864287 823538150 /nfs/dbraw/zinc/53/81/50/823538150.db2.gz BGGBTNOYSDCNMW-CVEARBPZSA-N 1 0 398.576 4.129 20 0 GIADRO Cc1cc(CSc2ccccc2C(=O)NCCC[NH+]2CCC(C)CC2)on1 ZINC000041836812 821235293 /nfs/dbraw/zinc/23/52/93/821235293.db2.gz FRLNWAJJOQNOOF-UHFFFAOYSA-N 1 0 387.549 4.127 20 0 GIADRO COc1cc(C[NH2+]Cc2cccc3c2OCO3)ccc1OCc1cccs1 ZINC000060527125 823538471 /nfs/dbraw/zinc/53/84/71/823538471.db2.gz HJIAVGVMKNQKNI-UHFFFAOYSA-N 1 0 383.469 4.354 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)Nc2ncc(Cc3cccc(OC)c3)s2)o1 ZINC000041868835 821240657 /nfs/dbraw/zinc/24/06/57/821240657.db2.gz KDFHBUVHGKTFDA-UHFFFAOYSA-N 1 0 399.516 4.430 20 0 GIADRO COc1cc(C[NH2+]Cc2cccc3c2OCO3)c(-c2ccccc2)cc1OC ZINC000060527076 823538553 /nfs/dbraw/zinc/53/85/53/823538553.db2.gz QYIZDIBFFRWHGG-UHFFFAOYSA-N 1 0 377.440 4.389 20 0 GIADRO c1c(C[NH2+]Cc2cccc3c2OCO3)c(-c2cccnc2)nn1Cc1ccccc1 ZINC000060527104 823538583 /nfs/dbraw/zinc/53/85/83/823538583.db2.gz XXWSLMKZRSZLLS-UHFFFAOYSA-N 1 0 398.466 4.012 20 0 GIADRO C[NH+]1CCN(c2ccccc2NC(=O)c2ccc(SC(F)F)cc2)CC1 ZINC000041904888 821245004 /nfs/dbraw/zinc/24/50/04/821245004.db2.gz LBBKKELLTSXYCW-UHFFFAOYSA-N 1 0 377.460 4.005 20 0 GIADRO Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000177870405 823538924 /nfs/dbraw/zinc/53/89/24/823538924.db2.gz SGBGHWUYNFDYQL-SOKVYYICSA-N 1 0 381.545 4.202 20 0 GIADRO CC(C)(C)[N@@H+]1CCCN(C(=O)N[C@@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000060533254 823539130 /nfs/dbraw/zinc/53/91/30/823539130.db2.gz MLQGCEFZHWWVPG-QFIPXVFZSA-N 1 0 379.548 4.486 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)c1c(C)[nH]c2ccccc21 ZINC000060533342 823539257 /nfs/dbraw/zinc/53/92/57/823539257.db2.gz MICVGIJOUQDEAY-UHFFFAOYSA-N 1 0 379.504 4.127 20 0 GIADRO C[C@H]1CN(C(=O)Nc2ccccc2SC2CCCC2)CC[N@@H+]1CC(C)(C)O ZINC000190118296 823539562 /nfs/dbraw/zinc/53/95/62/823539562.db2.gz QEJRFZZTTCRSHQ-INIZCTEOSA-N 1 0 391.581 4.030 20 0 GIADRO CCCCNC(=O)c1ccc(C[NH2+][C@@H](CC)c2ccc3c(c2)OCCO3)cc1 ZINC000177877130 823539936 /nfs/dbraw/zinc/53/99/36/823539936.db2.gz FWOWNNWPUKSLJS-FQEVSTJZSA-N 1 0 382.504 4.229 20 0 GIADRO CCCCNC(=O)c1ccc(C[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)cc1 ZINC000177877870 823540133 /nfs/dbraw/zinc/54/01/33/823540133.db2.gz FUQCAMRTNBWKHF-SFHVURJKSA-N 1 0 393.531 4.194 20 0 GIADRO C[NH+](C)CCn1ccc2ccc(NC(=O)c3c(F)c(F)cc(F)c3F)cc21 ZINC000177878187 823540189 /nfs/dbraw/zinc/54/01/89/823540189.db2.gz VLGCRZFZFVGXIK-UHFFFAOYSA-N 1 0 379.357 4.012 20 0 GIADRO C[C@@H]([NH2+]C1CCN(C(=O)c2ccncc2)CC1)[C@H](C)c1nc2ccccc2s1 ZINC000177885313 823541371 /nfs/dbraw/zinc/54/13/71/823541371.db2.gz IJHQCVCFQOLNKX-JKSUJKDBSA-N 1 0 394.544 4.078 20 0 GIADRO CCC(CC)[C@H](CNC(=O)N1CCC[C@@H]1c1csc(C)n1)[NH+]1CCCC1 ZINC000190125465 823540708 /nfs/dbraw/zinc/54/07/08/823540708.db2.gz NRGURLBGMLPLMU-MOPGFXCFSA-N 1 0 378.586 4.199 20 0 GIADRO COc1ccc([C@H](O)C[NH2+]Cc2ccc(OC)c(OCc3ccccc3)c2)cc1 ZINC000042202298 821282710 /nfs/dbraw/zinc/28/27/10/821282710.db2.gz WRUFQLDODAEBGX-JOCHJYFZSA-N 1 0 393.483 4.106 20 0 GIADRO O[C@@H](C[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1)COc1ccccc1 ZINC000042203325 821283193 /nfs/dbraw/zinc/28/31/93/821283193.db2.gz QJVZMKBUMQJGJT-HNNXBMFYSA-N 1 0 380.469 4.086 20 0 GIADRO Cc1nc(CC[NH2+]Cc2c(C)nn(Cc3ccc(F)cc3)c2Cl)cs1 ZINC000042207562 821284276 /nfs/dbraw/zinc/28/42/76/821284276.db2.gz JVPKIBIWUBJAEL-UHFFFAOYSA-N 1 0 378.904 4.130 20 0 GIADRO COc1ccc(C[NH2+]Cc2ccc(N(C)C)nc2)cc1OCc1ccccc1 ZINC000042227402 821288105 /nfs/dbraw/zinc/28/81/05/821288105.db2.gz RYMXHMVTHFERRW-UHFFFAOYSA-N 1 0 377.488 4.025 20 0 GIADRO CN(C)c1ccc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccs2)cn1 ZINC000042227630 821288517 /nfs/dbraw/zinc/28/85/17/821288517.db2.gz CBLYEBLTOPADRG-UHFFFAOYSA-N 1 0 389.528 4.352 20 0 GIADRO COc1cc(C[NH2+]Cc2cccc(COCc3ccco3)c2)cc2c1OCO2 ZINC000042230052 821288899 /nfs/dbraw/zinc/28/88/99/821288899.db2.gz CVANOHVCSMAQOY-UHFFFAOYSA-N 1 0 381.428 4.024 20 0 GIADRO Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC(OCc2ccccc2)CC1 ZINC000042563665 821310266 /nfs/dbraw/zinc/31/02/66/821310266.db2.gz PQACVRSHPVLHEW-WOJBJXKFSA-N 1 0 380.532 4.242 20 0 GIADRO CC[NH+](CC)CCC[C@H](C)NC(=O)C1(c2ccc(Br)cc2)CC1 ZINC000042539141 821310490 /nfs/dbraw/zinc/31/04/90/821310490.db2.gz FNAVDASNBORQSR-HNNXBMFYSA-N 1 0 381.358 4.107 20 0 GIADRO CC(C)C[C@H](CNC(=O)CCc1ncc(-c2ccccc2Cl)o1)[NH+](C)C ZINC000042587582 821313016 /nfs/dbraw/zinc/31/30/16/821313016.db2.gz CDBPDAIEDTWTKA-OAHLLOKOSA-N 1 0 377.916 4.020 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2)c1 ZINC000042636618 821317473 /nfs/dbraw/zinc/31/74/73/821317473.db2.gz LHXFAAGTTHJARB-QWHCGFSZSA-N 1 0 393.409 4.342 20 0 GIADRO CCc1ccc([C@H](CNC(=O)c2oc3ccccc3c2COC)[NH+](C)C)cc1 ZINC000042674295 821323807 /nfs/dbraw/zinc/32/38/07/821323807.db2.gz QZCNZTRHEOWQIO-FQEVSTJZSA-N 1 0 380.488 4.174 20 0 GIADRO COc1cccc([C@H](CNC(=O)CCCc2nc3ccccc3s2)[NH+](C)C)c1 ZINC000042674234 821323953 /nfs/dbraw/zinc/32/39/53/821323953.db2.gz OCSCHJWDHZUCNP-IBGZPJMESA-N 1 0 397.544 4.047 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1cccc(NC(=O)C2CC2)c1 ZINC000042699112 821325655 /nfs/dbraw/zinc/32/56/55/821325655.db2.gz CVOLNWKJRRUIRJ-UHFFFAOYSA-N 1 0 395.503 4.008 20 0 GIADRO CN(C)C(=O)[C@@H](c1ccccc1)[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000042742527 821329778 /nfs/dbraw/zinc/32/97/78/821329778.db2.gz SJMQAIFQFYVHGI-HXUWFJFHSA-N 1 0 397.906 4.490 20 0 GIADRO C[N@@H+]1CC[C@@H](CNC(=O)CCc2ccc(F)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123796178 823541601 /nfs/dbraw/zinc/54/16/01/823541601.db2.gz LGXSIVWTACHMMO-KKSFZXQISA-N 1 0 392.877 4.360 20 0 GIADRO CC(C)Oc1ccccc1[C@@H](C)NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000042929633 821346109 /nfs/dbraw/zinc/34/61/09/821346109.db2.gz ROZVYNGEIKQIAY-LJQANCHMSA-N 1 0 395.547 4.499 20 0 GIADRO O=C(NCCc1c[nH]c2ccccc12)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000042957208 821348957 /nfs/dbraw/zinc/34/89/57/821348957.db2.gz AQSLHSDCMKDCAF-UHFFFAOYSA-N 1 0 382.552 4.008 20 0 GIADRO COc1cc([C@@H](C)NC(=O)NCCC[NH2+]C2CCCCC2)ccc1OC(C)C ZINC000043036607 821355754 /nfs/dbraw/zinc/35/57/54/821355754.db2.gz SBJUOJZFGLWACO-QGZVFWFLSA-N 1 0 391.556 4.155 20 0 GIADRO COCc1c2ccccc2oc1C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000043086236 821359425 /nfs/dbraw/zinc/35/94/25/821359425.db2.gz MUBCJXIHPXHVBP-UHFFFAOYSA-N 1 0 380.488 4.349 20 0 GIADRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)Nc1ccccc1Br ZINC000043132965 821364719 /nfs/dbraw/zinc/36/47/19/821364719.db2.gz ILDPDLHUYPJTTR-UHFFFAOYSA-N 1 0 388.309 4.019 20 0 GIADRO O=C(Nc1ccccc1Br)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000043133259 821364833 /nfs/dbraw/zinc/36/48/33/821364833.db2.gz FOKIZGPFPIMNPI-UHFFFAOYSA-N 1 0 388.309 4.189 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)Nc1cccc(SC)c1)[NH+]1CCCC1 ZINC000043157439 821370065 /nfs/dbraw/zinc/37/00/65/821370065.db2.gz AUJZKZLRSDJDRK-LJQANCHMSA-N 1 0 385.533 4.376 20 0 GIADRO CCN(C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)[C@@H](C)c1cccc(OC)c1 ZINC000043167244 821371893 /nfs/dbraw/zinc/37/18/93/821371893.db2.gz HMRNGZATDDGEOG-FXAWDEMLSA-N 1 0 385.508 4.218 20 0 GIADRO COc1ccccc1CC(=O)N1CCC([NH2+]C2CC(c3ccc(C)cc3)C2)CC1 ZINC000180624647 821372929 /nfs/dbraw/zinc/37/29/29/821372929.db2.gz VCVUCTFWQIYOPK-UHFFFAOYSA-N 1 0 392.543 4.073 20 0 GIADRO CC(C)n1cnnc1[C@@H]1CCC[N@H+](Cc2nc3cc(C(F)(F)F)ccc3o2)C1 ZINC000180626750 821374117 /nfs/dbraw/zinc/37/41/17/821374117.db2.gz HXJYVCYTPQFHIP-CYBMUJFWSA-N 1 0 393.413 4.399 20 0 GIADRO CC[C@H]([NH2+][C@H](C)c1nc(=O)c2c(C)c(C)sc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000180633726 821376478 /nfs/dbraw/zinc/37/64/78/821376478.db2.gz LYLJPWCJHIYERX-DOMZBBRYSA-N 1 0 399.516 4.175 20 0 GIADRO CC[C@@H]([NH2+]CCCc1nc(-c2ccccc2)no1)c1ccc2c(c1)OCCO2 ZINC000180635254 821377067 /nfs/dbraw/zinc/37/70/67/821377067.db2.gz OGKFCPQRRFOZIR-GOSISDBHSA-N 1 0 379.460 4.181 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)N[C@@H](C)c1nc2ccccc2[nH]1)c1ccccc1 ZINC000043230910 821377831 /nfs/dbraw/zinc/37/78/31/821377831.db2.gz HNEUNJZOVQRVGN-JXFKEZNVSA-N 1 0 379.508 4.006 20 0 GIADRO COc1ccc(F)cc1[C@@H](C)NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000043231436 821378504 /nfs/dbraw/zinc/37/85/04/821378504.db2.gz BZUFYZVKCMCKQW-RHSMWYFYSA-N 1 0 391.512 4.093 20 0 GIADRO COc1cccc([C@H](CNC(=O)Nc2ccc(F)c(F)c2F)[NH+]2CCCC2)c1 ZINC000043233621 821378829 /nfs/dbraw/zinc/37/88/29/821378829.db2.gz CKNBHOPJFKWACM-KRWDZBQOSA-N 1 0 393.409 4.071 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Nc1cccc(C(C)=O)c1)c1cccc(OC)c1 ZINC000043238998 821379963 /nfs/dbraw/zinc/37/99/63/821379963.db2.gz UKUVISJFCAEYAG-OAQYLSRUSA-N 1 0 383.492 4.102 20 0 GIADRO Cn1ccnc1[C@H](O)[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc(F)cc3)s2)C1 ZINC000180647622 821381433 /nfs/dbraw/zinc/38/14/33/821381433.db2.gz QEOFUERTAUDDJF-OXQOHEQNSA-N 1 0 385.508 4.233 20 0 GIADRO COc1ccc(CC(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)cc1OC ZINC000043268806 821383730 /nfs/dbraw/zinc/38/37/30/821383730.db2.gz KWBQKHZAFKEPGL-UHFFFAOYSA-N 1 0 382.504 4.117 20 0 GIADRO CC[NH+]1CCC(NC(=O)N[C@@H](c2cccs2)c2ccc(Cl)cc2)CC1 ZINC000043291605 821387553 /nfs/dbraw/zinc/38/75/53/821387553.db2.gz XBQMTTFNGYDZCU-GOSISDBHSA-N 1 0 377.941 4.274 20 0 GIADRO CCCN(C(=O)NC1CC[NH+](CC)CC1)[C@H](C)c1ccccc1Br ZINC000043292341 821387561 /nfs/dbraw/zinc/38/75/61/821387561.db2.gz VNPNIJMAKCOFNI-OAHLLOKOSA-N 1 0 396.373 4.416 20 0 GIADRO CCOc1cccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)c1 ZINC000180669523 821389360 /nfs/dbraw/zinc/38/93/60/821389360.db2.gz MEEXQBMWZDROLR-MSOLQXFVSA-N 1 0 381.520 4.363 20 0 GIADRO Cc1nc(Br)ccc1NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000180674424 821391004 /nfs/dbraw/zinc/39/10/04/821391004.db2.gz QNTHBBGVIRGEHG-INIZCTEOSA-N 1 0 388.309 4.003 20 0 GIADRO O=C(c1cccc(Br)c1Cl)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000180675085 821391388 /nfs/dbraw/zinc/39/13/88/821391388.db2.gz RGFWTQQECQPTJE-ZDUSSCGKSA-N 1 0 385.733 4.193 20 0 GIADRO COC(=O)CC[C@@H]([NH2+][C@H](C)c1ccc(NC(=O)NC2CC2)cc1)c1ccccc1 ZINC000180675432 821391439 /nfs/dbraw/zinc/39/14/39/821391439.db2.gz MBNADNLAQDADAB-IIBYNOLFSA-N 1 0 395.503 4.316 20 0 GIADRO C[C@@H]([NH2+]CCOc1ccccc1C(F)(F)F)c1ccc(N2CCOC2=O)cc1 ZINC000180678078 821392497 /nfs/dbraw/zinc/39/24/97/821392497.db2.gz MAGWRELKRQESCY-CQSZACIVSA-N 1 0 394.393 4.392 20 0 GIADRO COc1ccc(COCc2cccc(NC(=O)N(CC[NH+](C)C)C(C)C)c2)cc1 ZINC000180689162 821396216 /nfs/dbraw/zinc/39/62/16/821396216.db2.gz VCHBIUXGCYMBJK-UHFFFAOYSA-N 1 0 399.535 4.216 20 0 GIADRO C[C@@H]([NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)c1cccc(-n2cccn2)c1 ZINC000180690028 821396526 /nfs/dbraw/zinc/39/65/26/821396526.db2.gz OYISKZPSJDIPBD-IPJUCJBFSA-N 1 0 384.524 4.359 20 0 GIADRO COc1cc(C)c([C@H](C)[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)cc1OC ZINC000180692693 821397832 /nfs/dbraw/zinc/39/78/32/821397832.db2.gz HBGLZPUTTOHQSU-GUYCJALGSA-N 1 0 383.410 4.415 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)s1 ZINC000180693135 821398343 /nfs/dbraw/zinc/39/83/43/821398343.db2.gz SLXKVMNWCLCOQN-ABAIWWIYSA-N 1 0 388.455 4.043 20 0 GIADRO COc1ccccc1[C@@H]([NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1)c1ccccc1 ZINC000180693533 821398744 /nfs/dbraw/zinc/39/87/44/821398744.db2.gz CHSPHEPDENEURO-SBUREZEXSA-N 1 0 385.471 4.111 20 0 GIADRO COc1ccccc1[C@H]([NH2+]C1CCN(c2nccs2)CC1)c1ccccc1 ZINC000180695128 821399086 /nfs/dbraw/zinc/39/90/86/821399086.db2.gz WYUQMPVMCGQLOA-OAQYLSRUSA-N 1 0 379.529 4.500 20 0 GIADRO CCOc1cccc([C@@H](C)[NH2+]CC(=O)Nc2cc(Cl)c(OC)cc2OC)c1 ZINC000180696806 821400149 /nfs/dbraw/zinc/40/01/49/821400149.db2.gz IKHIDLJUZUMXPA-CYBMUJFWSA-N 1 0 392.883 4.045 20 0 GIADRO CCc1ccccc1NC(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000043402424 821401572 /nfs/dbraw/zinc/40/15/72/821401572.db2.gz DUBFQYHHZSHNSQ-QZTJIDSGSA-N 1 0 381.520 4.180 20 0 GIADRO O[C@@]1(C[NH2+][C@H](c2ccc(Br)cc2)c2ccccc2F)CCSC1 ZINC000180702191 821404446 /nfs/dbraw/zinc/40/44/46/821404446.db2.gz KZWKQJZGCJZHCS-QZTJIDSGSA-N 1 0 396.325 4.135 20 0 GIADRO O=C(Nc1cc(Cl)ccc1N1CCCCC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000043441295 821407464 /nfs/dbraw/zinc/40/74/64/821407464.db2.gz LSHPJEGEYJLXFB-UHFFFAOYSA-N 1 0 399.926 4.079 20 0 GIADRO Cc1cc(Br)ccc1NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000043449138 821408191 /nfs/dbraw/zinc/40/81/91/821408191.db2.gz JDJTWQRCESQPSW-INIZCTEOSA-N 1 0 392.297 4.309 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCOc2ccc(F)cc21)c1ccc(OCc2nccn2C)cc1 ZINC000180717768 821415488 /nfs/dbraw/zinc/41/54/88/821415488.db2.gz SOEXYLDTKSFGCM-QRWLVFNGSA-N 1 0 381.451 4.313 20 0 GIADRO Cc1cc(Br)cc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c1O ZINC000180717653 821415540 /nfs/dbraw/zinc/41/55/40/821415540.db2.gz WOWOUCHRODIHGJ-HOTGVXAUSA-N 1 0 380.282 4.144 20 0 GIADRO Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c1O ZINC000180717628 821415576 /nfs/dbraw/zinc/41/55/76/821415576.db2.gz WOWOUCHRODIHGJ-CVEARBPZSA-N 1 0 380.282 4.144 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N(C)[C@H](C)c1ccc(F)cc1 ZINC000043490132 821415838 /nfs/dbraw/zinc/41/58/38/821415838.db2.gz WZOYPCMPPPDBAC-QGZVFWFLSA-N 1 0 384.499 4.111 20 0 GIADRO CSc1ccc([C@@H](C)NC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)cc1 ZINC000043489821 821416068 /nfs/dbraw/zinc/41/60/68/821416068.db2.gz BDCRRMBWGYXFKJ-QGZVFWFLSA-N 1 0 398.576 4.351 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@@H](C)c1ccccc1Cl ZINC000043491171 821416501 /nfs/dbraw/zinc/41/65/01/821416501.db2.gz DANYNHWJIOKNHY-INIZCTEOSA-N 1 0 386.927 4.283 20 0 GIADRO CC(C)c1cc(C(=O)N(C)C2CC[NH+](C(C)C)CC2)c2cnn(C(C)C)c2n1 ZINC000043506298 821420112 /nfs/dbraw/zinc/42/01/12/821420112.db2.gz VQPZUFYAWOCLGQ-UHFFFAOYSA-N 1 0 385.556 4.080 20 0 GIADRO C[C@H](NCC1([NH+]2CCCCC2)CCOCC1)c1cc(Br)ccc1F ZINC000180738551 821426291 /nfs/dbraw/zinc/42/62/91/821426291.db2.gz PGNQIIHTDIUNKC-HNNXBMFYSA-N 1 0 399.348 4.274 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+]CC2(N3CCCCC3)CCOCC2)cc1OCC ZINC000180739543 821427034 /nfs/dbraw/zinc/42/70/34/821427034.db2.gz RAHUHJGRKAFFAV-IBGZPJMESA-N 1 0 390.568 4.170 20 0 GIADRO C[C@H](NCC1([NH+]2CCCCC2)CCOCC1)c1ccc(F)cc1Br ZINC000180740157 821427756 /nfs/dbraw/zinc/42/77/56/821427756.db2.gz MEQCNWSNRKOWCR-HNNXBMFYSA-N 1 0 399.348 4.274 20 0 GIADRO C[C@@H](NCC1([NH+]2CCCCC2)CCOCC1)c1ccc(F)cc1OC(F)F ZINC000180741731 821428805 /nfs/dbraw/zinc/42/88/05/821428805.db2.gz HBQDGJTUGQBHHF-OAHLLOKOSA-N 1 0 386.458 4.113 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)N2CCC[C@H]2Cc2ccccc2)CC1 ZINC000043574646 821429124 /nfs/dbraw/zinc/42/91/24/821429124.db2.gz HEWULDLQBHHISE-NRFANRHFSA-N 1 0 392.547 4.068 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)N2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000043574679 821429338 /nfs/dbraw/zinc/42/93/38/821429338.db2.gz LWNLSFNKKNUOQX-OAQYLSRUSA-N 1 0 396.510 4.337 20 0 GIADRO O=C(Nc1ncc(Cc2ccccc2Cl)s1)NC1CC[NH+](C2CC2)CC1 ZINC000043602546 821430371 /nfs/dbraw/zinc/43/03/71/821430371.db2.gz VJXDKFQMOGAPRM-UHFFFAOYSA-N 1 0 390.940 4.136 20 0 GIADRO CCCN(C(=O)c1cccs1)C1CC[NH+](Cc2ccc(COC)cc2)CC1 ZINC000180749594 821433264 /nfs/dbraw/zinc/43/32/64/821433264.db2.gz RILKOUDIJWIWPW-UHFFFAOYSA-N 1 0 386.561 4.411 20 0 GIADRO COc1ccc([C@@H]2CCCCCN2C(=O)CN(Cc2ccncc2)C2CC2)cc1 ZINC000180756893 821436693 /nfs/dbraw/zinc/43/66/93/821436693.db2.gz UUJXOGRRULFDAN-QHCPKHFHSA-N 1 0 393.531 4.199 20 0 GIADRO CC(C)C(=O)Nc1ccc(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000043675269 821440027 /nfs/dbraw/zinc/44/00/27/821440027.db2.gz GNFABBHVQDMXIN-IBGZPJMESA-N 1 0 398.507 4.223 20 0 GIADRO CC(C)(C)OC(=O)NC1CCC([NH2+]C[C@H](O)c2cc3ccccc3s2)CC1 ZINC000180761942 821440805 /nfs/dbraw/zinc/44/08/05/821440805.db2.gz IRULTBYEEKMDAR-JCYILVPMSA-N 1 0 390.549 4.360 20 0 GIADRO CC[NH+](CC)CCOc1ccc(NC(=O)c2ccccc2SCC#N)cc1 ZINC000043687176 821441755 /nfs/dbraw/zinc/44/17/55/821441755.db2.gz JQENILGJCLULKD-UHFFFAOYSA-N 1 0 383.517 4.275 20 0 GIADRO CCN(CC)C(=O)CCC1CC[NH+](Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000180771065 821445362 /nfs/dbraw/zinc/44/53/62/821445362.db2.gz PHOWIKNPESWMSI-UHFFFAOYSA-N 1 0 396.535 4.130 20 0 GIADRO COc1ccc([C@H](NC(=O)NC2CC[NH+](CC(C)C)CC2)c2ccccc2)cc1 ZINC000043717096 821446094 /nfs/dbraw/zinc/44/60/94/821446094.db2.gz NJSDHAWJPBGZMZ-HSZRJFAPSA-N 1 0 395.547 4.204 20 0 GIADRO CCN(CC)C(=O)CCC1CC[NH+](Cc2cc(Cl)c(OC)c(OC)c2)CC1 ZINC000180771320 821446051 /nfs/dbraw/zinc/44/60/51/821446051.db2.gz NFRNTTLQWOVDMG-UHFFFAOYSA-N 1 0 396.959 4.218 20 0 GIADRO CSc1ccc([C@H](C)NC(=O)Nc2ccccc2N2CC[NH+](C)CC2)cc1 ZINC000043799045 821460105 /nfs/dbraw/zinc/46/01/05/821460105.db2.gz GXKQVFXSIMSODK-INIZCTEOSA-N 1 0 384.549 4.043 20 0 GIADRO CC(C)[C@@H](NC(=O)Nc1ccccc1N1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000043800416 821460874 /nfs/dbraw/zinc/46/08/74/821460874.db2.gz GDKBLPMPHWUELJ-OAQYLSRUSA-N 1 0 384.499 4.096 20 0 GIADRO C[C@@H](C[C@H](O)c1ccc(F)cc1)[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000180799219 821464636 /nfs/dbraw/zinc/46/46/36/821464636.db2.gz NNLVDBFRRNXUAN-QKHJWGRCSA-N 1 0 380.504 4.063 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1c(Cl)cccc1Cl)c1ccc(-n2cccn2)cc1 ZINC000180828053 821483783 /nfs/dbraw/zinc/48/37/83/821483783.db2.gz SWDLVRZTVYQVHT-ZDUSSCGKSA-N 1 0 389.286 4.468 20 0 GIADRO C[C@@H]([NH2+]CCc1nc2c(s1)CCCC2)c1ccc(NC(=O)NC2CC2)cc1 ZINC000180840353 821489085 /nfs/dbraw/zinc/48/90/85/821489085.db2.gz FTSPQCQUPWWCHS-CQSZACIVSA-N 1 0 384.549 4.199 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)Nc1ccc(OCC(F)(F)F)cc1 ZINC000043924128 821489969 /nfs/dbraw/zinc/48/99/69/821489969.db2.gz IMVGRDNVZQLGLK-INIZCTEOSA-N 1 0 397.397 4.179 20 0 GIADRO COC[C@@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1)c1ccccc1 ZINC000180844620 821490693 /nfs/dbraw/zinc/49/06/93/821490693.db2.gz ZQQFHTYMJQCKPZ-VGOFRKELSA-N 1 0 387.545 4.441 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Nc1ccccc1OCC(F)(F)F)c1cccs1 ZINC000043959414 821495781 /nfs/dbraw/zinc/49/57/81/821495781.db2.gz SOADERZEGLKXKB-ZDUSSCGKSA-N 1 0 387.427 4.114 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)c2cc(Br)ccc2Cl)c1 ZINC000043977397 821497330 /nfs/dbraw/zinc/49/73/30/821497330.db2.gz ABFBCUOOIXNUBO-UHFFFAOYSA-N 1 0 381.701 4.094 20 0 GIADRO CC(C)CC(=O)Nc1ccc(NC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc1 ZINC000044031284 821507755 /nfs/dbraw/zinc/50/77/55/821507755.db2.gz QFBMHUVFCZQVRV-SFHVURJKSA-N 1 0 388.537 4.157 20 0 GIADRO C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)C3(C)CCCCCC3)cc2)CC1 ZINC000180879347 821510062 /nfs/dbraw/zinc/51/00/62/821510062.db2.gz KQHBGJMRXYLNIV-UHFFFAOYSA-N 1 0 386.540 4.201 20 0 GIADRO FC(F)(F)c1ccc2oc(C[N@@H+]3CCC[C@@H](c4nncn4C4CC4)C3)nc2c1 ZINC000180882989 821511232 /nfs/dbraw/zinc/51/12/32/821511232.db2.gz BPHJJPTVQPCJGA-GFCCVEGCSA-N 1 0 391.397 4.153 20 0 GIADRO C[C@@H]([NH2+]CC(=O)NCC1(c2ccccc2)CC1)c1ccc(-c2ccncc2)cc1 ZINC000180884814 821512468 /nfs/dbraw/zinc/51/24/68/821512468.db2.gz JNAZHGDOPPSLKF-LJQANCHMSA-N 1 0 385.511 4.247 20 0 GIADRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)NCC[C@@H]2CCCCO2)cc1 ZINC000180887072 821514768 /nfs/dbraw/zinc/51/47/68/821514768.db2.gz STLVMBLXBUXFCZ-QFIPXVFZSA-N 1 0 395.547 4.174 20 0 GIADRO CC(C)C(=O)Nc1cccc(NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000044083529 821519568 /nfs/dbraw/zinc/51/95/68/821519568.db2.gz TYOODJQJQWROHG-UHFFFAOYSA-N 1 0 394.519 4.199 20 0 GIADRO CCc1ccc([C@H](CNC(=O)Nc2cccc(NC(=O)C(C)C)c2)[NH+](C)C)cc1 ZINC000044084359 821520014 /nfs/dbraw/zinc/52/00/14/821520014.db2.gz ISGZHORZYQTEPM-NRFANRHFSA-N 1 0 396.535 4.268 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Nc1cccc(NC(=O)C(C)C)c1)c1ccccc1 ZINC000044084351 821520099 /nfs/dbraw/zinc/52/00/99/821520099.db2.gz WCWPZLLDMRFYGM-OAQYLSRUSA-N 1 0 396.535 4.486 20 0 GIADRO CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@](C)(O)c1ccc(F)cc1F ZINC000180898763 821523081 /nfs/dbraw/zinc/52/30/81/821523081.db2.gz RRJLARLNZULFPJ-IVZQSRNASA-N 1 0 390.474 4.303 20 0 GIADRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=S)Nc2ccc(OC(F)F)cc2)C1 ZINC000044101463 821523344 /nfs/dbraw/zinc/52/33/44/821523344.db2.gz YNLNJCDYGCAFRL-GJZGRUSLSA-N 1 0 385.524 4.333 20 0 GIADRO CCCCNC(=S)Nc1ccc(C[NH+]2CCN(c3cccc(C)c3)CC2)cc1 ZINC000044133639 821530641 /nfs/dbraw/zinc/53/06/41/821530641.db2.gz LSYUWHTUXUJYOE-UHFFFAOYSA-N 1 0 396.604 4.404 20 0 GIADRO COC(=O)COc1cccc(C[NH2+][C@@H]2CCc3c2ccc(Cl)c3Cl)c1 ZINC000180911132 821532300 /nfs/dbraw/zinc/53/23/00/821532300.db2.gz ZRZKJBSZXGCJQQ-QGZVFWFLSA-N 1 0 380.271 4.322 20 0 GIADRO CC[C@H]([NH2+]Cc1cccc(OCC(=O)OC)c1)c1cccc(Br)c1 ZINC000180911560 821532349 /nfs/dbraw/zinc/53/23/49/821532349.db2.gz CVAKNLWQXGUCTI-SFHVURJKSA-N 1 0 392.293 4.242 20 0 GIADRO COC(=O)COc1cccc(C[NH2+][C@H]2CCc3c2ccc(Cl)c3Cl)c1 ZINC000180911150 821532475 /nfs/dbraw/zinc/53/24/75/821532475.db2.gz ZRZKJBSZXGCJQQ-KRWDZBQOSA-N 1 0 380.271 4.322 20 0 GIADRO CCCCC[C@H](CC)C(=O)Nc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000180924015 821540391 /nfs/dbraw/zinc/54/03/91/821540391.db2.gz CRZGZHTYMOYLKG-KRWDZBQOSA-N 1 0 388.556 4.447 20 0 GIADRO COc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(-c3ccncc3)cc2)cc1OC ZINC000180924428 821540437 /nfs/dbraw/zinc/54/04/37/821540437.db2.gz UIIMXJWNNSIXLB-MRXNPFEDSA-N 1 0 391.471 4.055 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc(-c2ccncc2)cc1)C(=O)Nc1cccnc1Cl ZINC000180925922 821542259 /nfs/dbraw/zinc/54/22/59/821542259.db2.gz KVLYCZSZRZRIOP-HUUCEWRRSA-N 1 0 380.879 4.475 20 0 GIADRO CCOc1cccc(CNC(=O)C[NH2+][C@@H](C)c2ccc(-c3ccncc3)cc2)c1 ZINC000180932190 821544853 /nfs/dbraw/zinc/54/48/53/821544853.db2.gz QUFUKNJSPIRBIA-SFHVURJKSA-N 1 0 389.499 4.114 20 0 GIADRO C[NH+](C)CCOc1ccc(CNC(=S)Nc2ccc3ccccc3c2)cc1 ZINC000044222535 821549536 /nfs/dbraw/zinc/54/95/36/821549536.db2.gz FDSQZLLZTCXSLY-UHFFFAOYSA-N 1 0 379.529 4.267 20 0 GIADRO FC(F)(F)Oc1ccc(NC(=S)N2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000044235262 821552408 /nfs/dbraw/zinc/55/24/08/821552408.db2.gz QDPRSDUVHOMQLO-UHFFFAOYSA-N 1 0 387.471 4.232 20 0 GIADRO C[C@@H]([NH2+]CCC(=O)Nc1cc(N)ccc1F)c1ccc(OCC(F)(F)F)cc1 ZINC000180949014 821552509 /nfs/dbraw/zinc/55/25/09/821552509.db2.gz AGZYWNAMPSPMQX-GFCCVEGCSA-N 1 0 399.388 4.028 20 0 GIADRO CC(C)(CCS(C)(=O)=O)[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000180951042 821553138 /nfs/dbraw/zinc/55/31/38/821553138.db2.gz FYXWNIBDMKWGQJ-UHFFFAOYSA-N 1 0 389.439 4.268 20 0 GIADRO CCN1CC[NH+](CCCCNC(=O)Nc2ccc(C(C)C)cc2C(C)C)CC1 ZINC000044247026 821554191 /nfs/dbraw/zinc/55/41/91/821554191.db2.gz AQXDTVUUVDCJIG-UHFFFAOYSA-N 1 0 388.600 4.473 20 0 GIADRO COCCC(=O)N1CCC([NH2+][C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000180961228 821557594 /nfs/dbraw/zinc/55/75/94/821557594.db2.gz KXUQPSYKCCOPAW-QFIPXVFZSA-N 1 0 386.923 4.047 20 0 GIADRO COc1ccc(OC)c([C@H]2CCCN2C(=O)Nc2cccc(C[NH+](C)C)c2)c1 ZINC000044277515 821558506 /nfs/dbraw/zinc/55/85/06/821558506.db2.gz DGPVJJUERGSCPZ-HXUWFJFHSA-N 1 0 383.492 4.134 20 0 GIADRO Cn1ccnc1[C@@H](NC(=O)Nc1cccc(C[NH+](C)C)c1)c1ccc(Cl)cc1 ZINC000044277389 821558588 /nfs/dbraw/zinc/55/85/88/821558588.db2.gz IEFLLGFIRREHMU-IBGZPJMESA-N 1 0 397.910 4.046 20 0 GIADRO CN(Cc1ccc(Br)cc1)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000044292424 821561308 /nfs/dbraw/zinc/56/13/08/821561308.db2.gz PGWFDOYTWILNMX-UHFFFAOYSA-N 1 0 376.298 4.175 20 0 GIADRO CCc1ccc([C@@H](C)[NH2+]C2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)cc1 ZINC000180971414 821564502 /nfs/dbraw/zinc/56/45/02/821564502.db2.gz HNBSSBASJZRWAD-QGZVFWFLSA-N 1 0 396.531 4.222 20 0 GIADRO COc1ccc(C(=O)N2CCC([NH2+][C@H](C)c3ccc(C)s3)CC2)cc1OC ZINC000180970973 821564540 /nfs/dbraw/zinc/56/45/40/821564540.db2.gz XAPBROHHYFDARD-OAHLLOKOSA-N 1 0 388.533 4.029 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)Nc1ccc2oc(C3CC3)nc2c1 ZINC000044309249 821565965 /nfs/dbraw/zinc/56/59/65/821565965.db2.gz CBHRIQPHEAEBDS-QGZVFWFLSA-N 1 0 380.448 4.257 20 0 GIADRO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)CCc2ccc(Cl)s2)CC1 ZINC000044311932 821567854 /nfs/dbraw/zinc/56/78/54/821567854.db2.gz UZPRAVNCLMJOLZ-UHFFFAOYSA-N 1 0 398.359 4.378 20 0 GIADRO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](c1ccccc1)C(C)(C)CO ZINC000180981282 821571631 /nfs/dbraw/zinc/57/16/31/821571631.db2.gz QEZIYUHMHODBIS-UFYCRDLUSA-N 1 0 390.568 4.072 20 0 GIADRO COCC[C@@H](Cc1cccc(F)c1)[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000181008001 821589853 /nfs/dbraw/zinc/58/98/53/821589853.db2.gz OGWWAAKFWRBJNF-SFHVURJKSA-N 1 0 385.508 4.124 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)CSCc2coc(-c3ccccc3)n2)c1 ZINC000044504055 821595521 /nfs/dbraw/zinc/59/55/21/821595521.db2.gz JHDDCQIWJRUHKA-UHFFFAOYSA-N 1 0 381.501 4.275 20 0 GIADRO O=C(Cc1csc(-c2cccc(F)c2)n1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000044517326 821598371 /nfs/dbraw/zinc/59/83/71/821598371.db2.gz KMKLYUIQFCWFJQ-GOSISDBHSA-N 1 0 399.491 4.038 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)N[C@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000181024486 821599326 /nfs/dbraw/zinc/59/93/26/821599326.db2.gz JTLYYDMCRPUHRF-SFHVURJKSA-N 1 0 379.932 4.070 20 0 GIADRO O[C@@H](C[NH2+][C@H](c1cccc(Cl)c1)C1CCCCC1)COC1CCOCC1 ZINC000181024930 821599400 /nfs/dbraw/zinc/59/94/00/821599400.db2.gz IGVMSSOJZGVXTC-FPOVZHCZSA-N 1 0 381.944 4.108 20 0 GIADRO C[C@@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc(Br)cc1Br ZINC000044533157 821601113 /nfs/dbraw/zinc/60/11/13/821601113.db2.gz DBSXSPWPJZWTQO-NEPJUHHUSA-N 1 0 390.163 4.204 20 0 GIADRO C[NH+](C)Cc1c2ccccc2oc1C(=O)N[C@@H]1CCCOc2c(F)cccc21 ZINC000181047324 821609840 /nfs/dbraw/zinc/60/98/40/821609840.db2.gz KYUALOWOMIYLRO-GOSISDBHSA-N 1 0 382.435 4.277 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1c[nH]c2cc(F)ccc12 ZINC000181073131 821619063 /nfs/dbraw/zinc/61/90/63/821619063.db2.gz DMPZKTJSLZXBQA-UHFFFAOYSA-N 1 0 385.870 4.355 20 0 GIADRO COc1ccc2ccccc2c1-c1cc(CN2CC[C@H](C[NH+]3CCCC3)C2)on1 ZINC000181118622 821644125 /nfs/dbraw/zinc/64/41/25/821644125.db2.gz CZGPAZVAEFGDKF-GOSISDBHSA-N 1 0 391.515 4.421 20 0 GIADRO C[C@H](N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(Br)cc1Br ZINC000044686279 821644502 /nfs/dbraw/zinc/64/45/02/821644502.db2.gz VRQWCKPDNBRCNY-CMPLNLGQSA-N 1 0 388.147 4.099 20 0 GIADRO CC[C@@H]([NH2+]C1CCC(S(C)(=O)=O)CC1)c1ccc2cc(OC)ccc2c1 ZINC000181124487 821648407 /nfs/dbraw/zinc/64/84/07/821648407.db2.gz PQFTYWKQBBEJBZ-DQVLVPHSSA-N 1 0 375.534 4.245 20 0 GIADRO C[C@H]([NH2+]C1CCC(S(C)(=O)=O)CC1)c1ccc(SCC(F)F)cc1 ZINC000181125812 821649000 /nfs/dbraw/zinc/64/90/00/821649000.db2.gz YQHJLXURQZSSHN-YGONEPDPSA-N 1 0 377.522 4.050 20 0 GIADRO CS(=O)(=O)C1CCC([NH2+][C@H](Cc2cccc(F)c2)c2cccc(F)c2)CC1 ZINC000181127096 821649130 /nfs/dbraw/zinc/64/91/30/821649130.db2.gz SOTQEDXRUWRIFV-XVAXZDLZSA-N 1 0 393.499 4.194 20 0 GIADRO Fc1cccc([C@H]([NH2+]C[C@H]2COC3(CCOCC3)O2)c2cccc(Cl)c2)c1 ZINC000181160305 821671791 /nfs/dbraw/zinc/67/17/91/821671791.db2.gz VZORVANHXUXBKY-VQTJNVASSA-N 1 0 391.870 4.080 20 0 GIADRO CN(C(=O)[C@H](Cc1ccccc1)NC1CC[NH+](C(C)(C)C)CC1)c1ccccc1 ZINC000181162803 821673156 /nfs/dbraw/zinc/67/31/56/821673156.db2.gz CNAAVHUWRUDRRH-QHCPKHFHSA-N 1 0 393.575 4.113 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)CCc1ccc(Cl)s1)[NH+]1CCCC1 ZINC000044870088 821674253 /nfs/dbraw/zinc/67/42/53/821674253.db2.gz IESXDFFJUMFYCQ-KRWDZBQOSA-N 1 0 392.952 4.296 20 0 GIADRO COc1ccc2ccccc2c1-c1cc(CN2CCC([NH2+]C(C)C)CC2)on1 ZINC000181168432 821675598 /nfs/dbraw/zinc/67/55/98/821675598.db2.gz GXHRFHZMKZPFFN-UHFFFAOYSA-N 1 0 379.504 4.466 20 0 GIADRO Cc1cc(C)cc(OCC(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000044878880 821676248 /nfs/dbraw/zinc/67/62/48/821676248.db2.gz KNTKJFZVWAZCNI-GOSISDBHSA-N 1 0 380.532 4.231 20 0 GIADRO C[C@H](C[NH2+][C@@H](C)CC(=O)Nc1cccnc1Cl)Oc1cccc(Cl)c1 ZINC000181173592 821677873 /nfs/dbraw/zinc/67/78/73/821677873.db2.gz DJFIRPPJSAYNTH-QWHCGFSZSA-N 1 0 382.291 4.163 20 0 GIADRO COc1cc(NC2CC[NH+]([C@@H](C)c3nc4ccccc4o3)CC2)cc(OC)c1 ZINC000181183032 821682862 /nfs/dbraw/zinc/68/28/62/821682862.db2.gz RHEXKWRSNYFNKG-HNNXBMFYSA-N 1 0 381.476 4.483 20 0 GIADRO CC(C)CNC(=O)c1cccc(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)c1 ZINC000181189840 821686188 /nfs/dbraw/zinc/68/61/88/821686188.db2.gz GNXHTSKIJRJHHP-NZQKXSOJSA-N 1 0 380.532 4.330 20 0 GIADRO Cc1cc(=O)oc2cc(OCC[NH2+][C@H](C[C@@H]3CCOC3)c3ccccc3)ccc12 ZINC000181190129 821686319 /nfs/dbraw/zinc/68/63/19/821686319.db2.gz TXTNMVUABYFLTR-PGRDOPGGSA-N 1 0 393.483 4.238 20 0 GIADRO CC[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)c1cc(C)ccc1OC ZINC000181202658 821693991 /nfs/dbraw/zinc/69/39/91/821693991.db2.gz BLEUXXLBOYGMHJ-UEXGIBASSA-N 1 0 383.536 4.253 20 0 GIADRO CC[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)c1cc(C)ccc1OC ZINC000181202677 821694144 /nfs/dbraw/zinc/69/41/44/821694144.db2.gz BLEUXXLBOYGMHJ-LVCYWYKZSA-N 1 0 383.536 4.253 20 0 GIADRO Cc1c(O)ccc2c(C[NH2+][C@@H](C[C@H]3CCOC3)c3ccccc3)cc(=O)oc12 ZINC000181209256 821698440 /nfs/dbraw/zinc/69/84/40/821698440.db2.gz APVNNBKITQBEHC-UZLBHIALSA-N 1 0 379.456 4.065 20 0 GIADRO O=C(NCCC[NH2+][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21)C1CCC1 ZINC000181229262 821708135 /nfs/dbraw/zinc/70/81/35/821708135.db2.gz GSEUCCZYXKEPGP-QGZVFWFLSA-N 1 0 387.524 4.223 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)N3C[C@H](C)[C@@H]4CCCC[C@@H]43)c(C)c2)CC1 ZINC000181233373 821710361 /nfs/dbraw/zinc/71/03/61/821710361.db2.gz BKQFNQJANKYBSA-VCOUNFBDSA-N 1 0 384.568 4.179 20 0 GIADRO CC[C@H](C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccc(OC)cc1 ZINC000181246995 821717134 /nfs/dbraw/zinc/71/71/34/821717134.db2.gz URTCZBWZPAFYGY-QHCPKHFHSA-N 1 0 396.531 4.032 20 0 GIADRO CC(C)n1cc([C@@H](C)[NH2+][C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cn1 ZINC000181252627 821719615 /nfs/dbraw/zinc/71/96/15/821719615.db2.gz AATZCVJRXNAHJV-PXAZEXFGSA-N 1 0 381.307 4.227 20 0 GIADRO COc1c(Br)cccc1C[NH2+][C@H](C)c1ccccc1-n1cccn1 ZINC000181261561 821722805 /nfs/dbraw/zinc/72/28/05/821722805.db2.gz SZTWGFLZKKACGY-CQSZACIVSA-N 1 0 386.293 4.494 20 0 GIADRO CCOc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1cc(=O)n2cccc(C)c2n1 ZINC000181267890 821724916 /nfs/dbraw/zinc/72/49/16/821724916.db2.gz VJHZYEXNOSRUOD-HXUWFJFHSA-N 1 0 379.504 4.279 20 0 GIADRO CCCOc1ccc(OCC[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)cc1 ZINC000181268599 821725444 /nfs/dbraw/zinc/72/54/44/821725444.db2.gz VJAZHVGAMWKWSO-QGZVFWFLSA-N 1 0 384.476 4.162 20 0 GIADRO C[C@H]([NH2+]CC(=O)N1CCc2sccc2C1)c1ccc(-c2cccnc2)cc1 ZINC000181271793 821726791 /nfs/dbraw/zinc/72/67/91/821726791.db2.gz FDPSVCWBYIOFEK-INIZCTEOSA-N 1 0 377.513 4.046 20 0 GIADRO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(-c3cccnc3)cc2)c(OC)c1 ZINC000181274206 821727693 /nfs/dbraw/zinc/72/76/93/821727693.db2.gz ZLBVBWBXKZWOSQ-INIZCTEOSA-N 1 0 391.471 4.055 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1cccc2ccccc21)c1ccc(N2CCOC2=O)cc1 ZINC000181275684 821728271 /nfs/dbraw/zinc/72/82/71/821728271.db2.gz BPTPLYVDIWQHPB-INIZCTEOSA-N 1 0 389.455 4.086 20 0 GIADRO Cc1cc(C)n(-c2ccc(C[NH2+][C@@H](C)c3ccc(N4CCOC4=O)cc3)cc2)n1 ZINC000181276152 821728896 /nfs/dbraw/zinc/72/88/96/821728896.db2.gz HCUFCGSILAQLNL-SFHVURJKSA-N 1 0 390.487 4.297 20 0 GIADRO CC(C)OC(=O)c1ccc(C[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)cc1 ZINC000181289042 821737119 /nfs/dbraw/zinc/73/71/19/821737119.db2.gz SKZVPJSNWMDLEP-MRXNPFEDSA-N 1 0 382.460 4.059 20 0 GIADRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(-c3cccnc3)cc2)cc1 ZINC000181292168 821738530 /nfs/dbraw/zinc/73/85/30/821738530.db2.gz JOIWSYSFEXKRTD-IRXDYDNUSA-N 1 0 375.472 4.435 20 0 GIADRO CC(=O)c1cccc(OC[C@H](O)C[NH2+][C@H](C)c2ccc(-c3cccnc3)cc2)c1 ZINC000181293960 821739883 /nfs/dbraw/zinc/73/98/83/821739883.db2.gz IRPABESUNAKKPA-UZUQRXQVSA-N 1 0 390.483 4.042 20 0 GIADRO Cc1cnn(CCCCC[N@@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)c1 ZINC000181294663 821740609 /nfs/dbraw/zinc/74/06/09/821740609.db2.gz MWCMFQSSXJTXIL-FQEVSTJZSA-N 1 0 378.524 4.027 20 0 GIADRO Cc1cnn(CCCCC[N@@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)c1 ZINC000181294682 821740907 /nfs/dbraw/zinc/74/09/07/821740907.db2.gz MWCMFQSSXJTXIL-HXUWFJFHSA-N 1 0 378.524 4.027 20 0 GIADRO CC(C)c1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000181298190 821741862 /nfs/dbraw/zinc/74/18/62/821741862.db2.gz RSLJNRLVICKOLC-IRXDYDNUSA-N 1 0 395.503 4.444 20 0 GIADRO CC(C)Cc1nnc(NC(=O)C[NH2+][C@H](C)c2ccc(-c3cccnc3)cc2)s1 ZINC000181299411 821742694 /nfs/dbraw/zinc/74/26/94/821742694.db2.gz YLZAKLVRHITHFY-OAHLLOKOSA-N 1 0 395.532 4.088 20 0 GIADRO CC[NH+](CC)CCSc1nnc(-c2ccc(OC)cc2)n1Cc1ccco1 ZINC000181309548 821748359 /nfs/dbraw/zinc/74/83/59/821748359.db2.gz SBPHZTXSDQNCJD-UHFFFAOYSA-N 1 0 386.521 4.029 20 0 GIADRO CC[C@@H](C)c1ccc(NC(=O)C[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)cc1 ZINC000181316556 821754836 /nfs/dbraw/zinc/75/48/36/821754836.db2.gz CLPHJNISLCFXGI-IAGOWNOFSA-N 1 0 395.503 4.446 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1)C(=O)Nc1cccnc1Cl ZINC000181317792 821755263 /nfs/dbraw/zinc/75/52/63/821755263.db2.gz PPAOZFMREDRITG-LSDHHAIUSA-N 1 0 380.879 4.475 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccnc1Cl)c1ccc(-c2cccnc2)cc1 ZINC000181317778 821755421 /nfs/dbraw/zinc/75/54/21/821755421.db2.gz PPAOZFMREDRITG-CABCVRRESA-N 1 0 380.879 4.475 20 0 GIADRO COc1cc(NC(=O)C[NH2+][C@@H](C)c2ccc(-c3cccnc3)cc2)cc(OC)c1 ZINC000181317104 821755433 /nfs/dbraw/zinc/75/54/33/821755433.db2.gz SHOILTMKCUKZEP-INIZCTEOSA-N 1 0 391.471 4.055 20 0 GIADRO COCCOc1ccc([C@H](C)[NH2+][C@@H]2CCCOc3c(F)cccc32)cc1OC ZINC000181321685 821758077 /nfs/dbraw/zinc/75/80/77/821758077.db2.gz ORBLGDHXPZXHAV-HNAYVOBHSA-N 1 0 389.467 4.424 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@H]2CCCOc3c(F)cccc32)cc(OC)c1OC ZINC000181328284 821762081 /nfs/dbraw/zinc/76/20/81/821762081.db2.gz AUFYRHNDCCEISF-DYVFJYSZSA-N 1 0 375.440 4.416 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[NH2+][C@H](C)c1ccc(C)c(F)c1 ZINC000181354486 821782630 /nfs/dbraw/zinc/78/26/30/821782630.db2.gz GQTCOPNMNOKZNJ-OAHLLOKOSA-N 1 0 380.467 4.226 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@@H]2CCc3n[nH]cc3C2)cnn1-c1ccc(Cl)cc1Cl ZINC000181356329 821784196 /nfs/dbraw/zinc/78/41/96/821784196.db2.gz SPLMVCZDDLWKKD-XHDPSFHLSA-N 1 0 390.318 4.419 20 0 GIADRO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)cc1F ZINC000181365655 821790510 /nfs/dbraw/zinc/79/05/10/821790510.db2.gz SEVRSCXKHLTWPZ-FGTMMUONSA-N 1 0 399.510 4.037 20 0 GIADRO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)c(Cl)c1 ZINC000181371169 821792953 /nfs/dbraw/zinc/79/29/53/821792953.db2.gz RNNKQDWERHOIDH-HZPDHXFCSA-N 1 0 399.922 4.453 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+][C@@H](c2ccc3c(c2)OCCO3)C(C)C)s1 ZINC000181371913 821793010 /nfs/dbraw/zinc/79/30/10/821793010.db2.gz TYGVTAZMRXXSRI-FOIQADDNSA-N 1 0 390.549 4.460 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+]Cc2c(C)nn(Cc3ccccc3)c2C)s1 ZINC000181373372 821793757 /nfs/dbraw/zinc/79/37/57/821793757.db2.gz KRWITODJNCMZFI-INIZCTEOSA-N 1 0 398.576 4.353 20 0 GIADRO COC(=O)c1cc2cc(C[NH2+][C@@H](C)c3ccc(N4CCCC4=O)cc3)ccc2o1 ZINC000181377206 821794422 /nfs/dbraw/zinc/79/44/22/821794422.db2.gz KPTSQHMVCKCFDA-HNNXBMFYSA-N 1 0 392.455 4.197 20 0 GIADRO CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@H](C)c2sc(CCOC)nc2C)c1 ZINC000181383214 821797959 /nfs/dbraw/zinc/79/79/59/821797959.db2.gz LAMPPBNESNPTSG-LSDHHAIUSA-N 1 0 389.565 4.020 20 0 GIADRO COc1ccc2oc([C@@H](C)[NH2+]CCS(=O)(=O)c3ccc(F)cc3)c(C)c2c1 ZINC000181385185 821799317 /nfs/dbraw/zinc/79/93/17/821799317.db2.gz SSOIAQRGEDLALN-CQSZACIVSA-N 1 0 391.464 4.013 20 0 GIADRO CCc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000181387607 821799871 /nfs/dbraw/zinc/79/98/71/821799871.db2.gz ZEKGAGDRYGSBQC-DLBZAZTESA-N 1 0 379.504 4.054 20 0 GIADRO COc1cc(C)c([C@@H](C)[NH2+]C[C@H](O)c2cccc(Br)c2)cc1OC ZINC000181389459 821801045 /nfs/dbraw/zinc/80/10/45/821801045.db2.gz AAIZUBHXUYBLNL-DYVFJYSZSA-N 1 0 394.309 4.159 20 0 GIADRO OC[C@H]([NH2+][C@H]1CCSc2c(F)cccc21)c1cccc(Br)c1 ZINC000181392370 821802581 /nfs/dbraw/zinc/80/25/81/821802581.db2.gz ROASBSPMJMMQAT-HOTGVXAUSA-N 1 0 382.298 4.448 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)s1 ZINC000181393400 821803714 /nfs/dbraw/zinc/80/37/14/821803714.db2.gz XJVVFWBRVKSYMA-LSDHHAIUSA-N 1 0 387.549 4.179 20 0 GIADRO CCc1nc2c(s1)[C@@H]([NH2+][C@H](CO)c1cccc(Br)c1)CCC2 ZINC000181401173 821807497 /nfs/dbraw/zinc/80/74/97/821807497.db2.gz PGYGDZLOHVSEOX-DZGCQCFKSA-N 1 0 381.339 4.169 20 0 GIADRO Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181403932 821808462 /nfs/dbraw/zinc/80/84/62/821808462.db2.gz WFPMFQCEUIQMAS-HNNXBMFYSA-N 1 0 385.895 4.065 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+]C[C@H](c2ccc(C)cc2)N2CCCC2)s1 ZINC000181404981 821808584 /nfs/dbraw/zinc/80/85/84/821808584.db2.gz WCSPGISMLORRKJ-FXAWDEMLSA-N 1 0 387.593 4.437 20 0 GIADRO Cc1cccc([C@@H](O)C[NH2+][C@@H](C)CC(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000181404734 821808768 /nfs/dbraw/zinc/80/87/68/821808768.db2.gz MBJRAJPPKWYSLF-KSSFIOAISA-N 1 0 380.410 4.054 20 0 GIADRO C[C@@H]([NH2+]C[C@H](CO)Cc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)nc1 ZINC000181407965 821809702 /nfs/dbraw/zinc/80/97/02/821809702.db2.gz RZTMFQYOVMHROI-TZMCWYRMSA-N 1 0 388.817 4.135 20 0 GIADRO Cc1cc(Cl)ccc1NC(=O)C[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181411462 821811081 /nfs/dbraw/zinc/81/10/81/821811081.db2.gz HAWFIWLKQYCDPZ-OAHLLOKOSA-N 1 0 385.895 4.065 20 0 GIADRO C[C@H](NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1nc(-c2ccccc2)cs1 ZINC000181414060 821813195 /nfs/dbraw/zinc/81/31/95/821813195.db2.gz GXQFELKUVAGCAM-DQLDELGASA-N 1 0 385.577 4.229 20 0 GIADRO COC[C@@H]([NH2+]CCCC(=O)Nc1c(C)cccc1C)c1ccc(F)c(F)c1 ZINC000181415048 821813817 /nfs/dbraw/zinc/81/38/17/821813817.db2.gz GXTVBUMGFPYAPL-LJQANCHMSA-N 1 0 376.447 4.278 20 0 GIADRO C[C@H](NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(F)cc1Br ZINC000181416151 821814111 /nfs/dbraw/zinc/81/41/11/821814111.db2.gz FGAYDOVUNPPUTF-AGRHKRQWSA-N 1 0 399.348 4.007 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)s1 ZINC000181417465 821814869 /nfs/dbraw/zinc/81/48/69/821814869.db2.gz CRJXYKJZCVLIBU-BONVTDFDSA-N 1 0 389.348 4.331 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+][C@H](C)c2cc(OC)c(OC)cc2F)s1 ZINC000181419330 821816624 /nfs/dbraw/zinc/81/66/24/821816624.db2.gz NZICBKZBYQNPRM-VXGBXAGGSA-N 1 0 382.501 4.209 20 0 GIADRO COc1cccc2cc([C@H](C)[NH2+][C@H](CN3CCOCC3)c3ccccc3)oc21 ZINC000181421527 821817696 /nfs/dbraw/zinc/81/76/96/821817696.db2.gz IROGVKWNRQIZFP-FXAWDEMLSA-N 1 0 380.488 4.166 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(SC(=O)N(C)C)c1)c1cccc(N2CCCC2=O)c1 ZINC000181433283 821824786 /nfs/dbraw/zinc/82/47/86/821824786.db2.gz KRIOCVLQJRPUQY-MRXNPFEDSA-N 1 0 397.544 4.438 20 0 GIADRO Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181442309 821828601 /nfs/dbraw/zinc/82/86/01/821828601.db2.gz MAXOJTZGXFSDBB-JKSUJKDBSA-N 1 0 399.922 4.453 20 0 GIADRO CCc1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181445841 821829312 /nfs/dbraw/zinc/82/93/12/821829312.db2.gz YUAUXZULNYXPST-IAGOWNOFSA-N 1 0 379.504 4.054 20 0 GIADRO C[C@@H](NC(=O)c1cccc(OCc2cccnc2)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181445879 821829533 /nfs/dbraw/zinc/82/95/33/821829533.db2.gz UNKHAXJRWFGFMI-WIYYLYMNSA-N 1 0 393.531 4.043 20 0 GIADRO Cc1oc(-c2cccs2)nc1CC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181451913 821831771 /nfs/dbraw/zinc/83/17/71/821831771.db2.gz ONRISTFWWKZFNI-HOCLYGCPSA-N 1 0 387.549 4.023 20 0 GIADRO O=C(C[NH2+][C@@H](CCCCc1ccccc1)c1ccccc1)NC1CCOCC1 ZINC000181455435 821833868 /nfs/dbraw/zinc/83/38/68/821833868.db2.gz OYFRRVFVCHDSAB-QHCPKHFHSA-N 1 0 380.532 4.026 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(Br)cc1N1CCOCC1)c1ccc(F)cc1 ZINC000181458684 821835333 /nfs/dbraw/zinc/83/53/33/821835333.db2.gz KZRHWSCXJJZRQJ-AWEZNQCLSA-N 1 0 393.300 4.276 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(Br)cc1N1CCOCC1)c1cccs1 ZINC000181459367 821835891 /nfs/dbraw/zinc/83/58/91/821835891.db2.gz LAVJRNAGYUXQLO-CYBMUJFWSA-N 1 0 381.339 4.198 20 0 GIADRO C[C@@H](NC(=O)CCc1ccc(OC(F)(F)F)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181461256 821837161 /nfs/dbraw/zinc/83/71/61/821837161.db2.gz WWSJKFIMKKBHFA-NVXWUHKLSA-N 1 0 398.469 4.287 20 0 GIADRO CC(C)c1nn(C)c2sc(C(=O)N[C@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)cc12 ZINC000181462849 821837816 /nfs/dbraw/zinc/83/78/16/821837816.db2.gz RJJLWZBITPDPNX-HUUCEWRRSA-N 1 0 388.581 4.141 20 0 GIADRO CCOc1c(Cl)cc(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1OC ZINC000181465274 821838679 /nfs/dbraw/zinc/83/86/79/821838679.db2.gz YSILJYOVRCGPFT-LSDHHAIUSA-N 1 0 394.943 4.130 20 0 GIADRO C[C@H](NC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181480471 821845219 /nfs/dbraw/zinc/84/52/19/821845219.db2.gz UEECKYFHMAYCDV-NXNVCVFFSA-N 1 0 378.919 4.352 20 0 GIADRO CN(C)C(=O)c1ccc(C[NH+]2CCC(c3ccc(C(F)(F)F)cc3)CC2)[nH]1 ZINC000181505147 821857303 /nfs/dbraw/zinc/85/73/03/821857303.db2.gz LYSYVEDRTIQNIA-UHFFFAOYSA-N 1 0 379.426 4.115 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]C2CCN(c3ccccn3)CC2)c(Br)c1 ZINC000181505365 821857903 /nfs/dbraw/zinc/85/79/03/821857903.db2.gz BGLKKWMOIVJHMW-CQSZACIVSA-N 1 0 390.325 4.172 20 0 GIADRO CCc1c2ccccc2oc1[C@@H](C)[NH2+]Cc1ccc(N2CCO[C@H](C)C2)nc1 ZINC000181510506 821860535 /nfs/dbraw/zinc/86/05/35/821860535.db2.gz PLZIRFHZARUOQM-IAGOWNOFSA-N 1 0 379.504 4.466 20 0 GIADRO Clc1cccc([C@@H](C[NH2+]Cc2cccc3cnccc32)N2CCOCC2)c1 ZINC000181524465 821865934 /nfs/dbraw/zinc/86/59/34/821865934.db2.gz NPZNKJWXHTZGQE-JOCHJYFZSA-N 1 0 381.907 4.051 20 0 GIADRO COc1ccc(CNc2cc(C[NH+](C)C)ccn2)cc1OCc1ccccc1 ZINC000181526725 821867354 /nfs/dbraw/zinc/86/73/54/821867354.db2.gz QJIRUMXYTCPICX-UHFFFAOYSA-N 1 0 377.488 4.343 20 0 GIADRO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cccc(O)c2)c(Br)c1 ZINC000181528873 821867763 /nfs/dbraw/zinc/86/77/63/821867763.db2.gz BPFWPASVICLQTK-STQMWFEESA-N 1 0 377.282 4.141 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)Nc1ccc(F)c(F)c1F ZINC000181534289 821871437 /nfs/dbraw/zinc/87/14/37/821871437.db2.gz CHIIVTNDELUUTL-UHFFFAOYSA-N 1 0 392.425 4.269 20 0 GIADRO C[C@H]([NH2+][C@@H](C)[C@H](OC1CCOCC1)c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000181536076 821871905 /nfs/dbraw/zinc/87/19/05/821871905.db2.gz UVDVMTWGQRPBEI-XFAGBWLFSA-N 1 0 397.515 4.434 20 0 GIADRO C[C@H]([NH2+]CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1)[C@@H](C)c1ccccc1 ZINC000181539634 821873548 /nfs/dbraw/zinc/87/35/48/821873548.db2.gz WLOIMFUROVSCJC-UWVAXJGDSA-N 1 0 391.471 4.332 20 0 GIADRO C[C@@H](NC(=O)c1cccc(Br)c1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181540332 821873741 /nfs/dbraw/zinc/87/37/41/821873741.db2.gz WDGPUEOXOOOACC-CHWSQXEVSA-N 1 0 399.760 4.485 20 0 GIADRO C[C@@H](NC(=O)c1ccc(Br)cc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181544919 821875139 /nfs/dbraw/zinc/87/51/39/821875139.db2.gz QDOAAJSFEGPNHZ-CHWSQXEVSA-N 1 0 399.760 4.485 20 0 GIADRO COc1ccccc1COC1CC[NH+](Cc2c(C3CC3)nc3sccn23)CC1 ZINC000181551839 821878109 /nfs/dbraw/zinc/87/81/09/821878109.db2.gz UXNYUTGENREXCA-UHFFFAOYSA-N 1 0 397.544 4.463 20 0 GIADRO Cc1c([C@@H](C)[NH2+]C[C@H](c2ccccc2)C(C)(C)CO)nnn1-c1ccc(F)cc1 ZINC000181554728 821879096 /nfs/dbraw/zinc/87/90/96/821879096.db2.gz RPMRUOVOZPXHEE-IIBYNOLFSA-N 1 0 396.510 4.168 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+]CCc2nnc(-c3ccccc3)o2)cc1OCC ZINC000181561298 821881497 /nfs/dbraw/zinc/88/14/97/821881497.db2.gz VJSMBHUZRUPPNY-MRXNPFEDSA-N 1 0 381.476 4.427 20 0 GIADRO c1ccc(-c2nnc(CC[NH2+][C@H]3CCCOc4cc5c(cc43)CCC5)o2)cc1 ZINC000181564817 821882450 /nfs/dbraw/zinc/88/24/50/821882450.db2.gz PTACBKYHAJGPLH-FQEVSTJZSA-N 1 0 375.472 4.271 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]Cc2cccc(-c3ccccn3)c2)cc1 ZINC000181568465 821883555 /nfs/dbraw/zinc/88/35/55/821883555.db2.gz MXOZGCLULKPDMW-QGZVFWFLSA-N 1 0 395.528 4.361 20 0 GIADRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+]CC1(CO)CCOCC1 ZINC000181567856 821883652 /nfs/dbraw/zinc/88/36/52/821883652.db2.gz HXKJXNQAOYKSJS-CYBMUJFWSA-N 1 0 380.941 4.212 20 0 GIADRO C[C@H](CC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C(=O)c1ccc(Cl)cc1 ZINC000181575400 821886119 /nfs/dbraw/zinc/88/61/19/821886119.db2.gz KYTUXJOMXYNXAM-MDYRTPRTSA-N 1 0 388.939 4.024 20 0 GIADRO C[C@H]([NH2+]C1CCN([C@@H](C)c2ccncc2)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000181586695 821891270 /nfs/dbraw/zinc/89/12/70/821891270.db2.gz OALHJWRVJPUHJS-OALUTQOASA-N 1 0 392.547 4.085 20 0 GIADRO COCc1cc([C@H](C)[NH2+]C2CCN([C@@H](C)c3ccncc3)CC2)ccc1OC ZINC000181591977 821894008 /nfs/dbraw/zinc/89/40/08/821894008.db2.gz RBRPWFMCMYLEBH-ROUUACIJSA-N 1 0 383.536 4.113 20 0 GIADRO CCOc1cccc2cc([C@H](C)[NH2+]CCCS(=O)(=O)c3ccccc3)oc21 ZINC000181593087 821894404 /nfs/dbraw/zinc/89/44/04/821894404.db2.gz FMTPXLLHZBSWAM-INIZCTEOSA-N 1 0 387.501 4.346 20 0 GIADRO O=C1[C@@H]([NH2+][C@@H](Cc2cccc(F)c2)c2cccc(F)c2)CCN1CC(F)(F)F ZINC000181594699 821895074 /nfs/dbraw/zinc/89/50/74/821895074.db2.gz RTAHDNZCKJWUMY-ROUUACIJSA-N 1 0 398.375 4.001 20 0 GIADRO COCCCOc1cccc(C[NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)c1 ZINC000181601127 821897594 /nfs/dbraw/zinc/89/75/94/821897594.db2.gz JCCTWEDTWXJVEZ-GOSISDBHSA-N 1 0 382.504 4.080 20 0 GIADRO CN(C(=O)C[NH2+][C@H](Cc1ccccc1Cl)c1ccccc1)c1nccs1 ZINC000181601965 821898386 /nfs/dbraw/zinc/89/83/86/821898386.db2.gz LJVRQQYAWMTNRP-GOSISDBHSA-N 1 0 385.920 4.333 20 0 GIADRO COc1ccc([C@H](C)[NH2+]C2CCN(C(=O)CC(C)C)CC2)c(Br)c1 ZINC000181620189 821906841 /nfs/dbraw/zinc/90/68/41/821906841.db2.gz PULDOCKVLIRKFU-AWEZNQCLSA-N 1 0 397.357 4.145 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]Cc2ccccc2-n2cccn2)c(Br)c1 ZINC000181625302 821909253 /nfs/dbraw/zinc/90/92/53/821909253.db2.gz RXNZBMFGOONGFA-CQSZACIVSA-N 1 0 386.293 4.494 20 0 GIADRO C[C@@H](NC(=O)C1(c2ccc(F)cc2F)CCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181635940 821915549 /nfs/dbraw/zinc/91/55/49/821915549.db2.gz JHGNYKBUOBDWSO-CVEARBPZSA-N 1 0 376.491 4.156 20 0 GIADRO COc1cccc(C2(C(=O)N[C@@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)CCCC2)c1 ZINC000181644767 821920291 /nfs/dbraw/zinc/92/02/91/821920291.db2.gz YWWJZIVOAGFDST-OALUTQOASA-N 1 0 384.564 4.276 20 0 GIADRO COc1cccc(C2(C(=O)N[C@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)CCCC2)c1 ZINC000181644788 821920434 /nfs/dbraw/zinc/92/04/34/821920434.db2.gz YWWJZIVOAGFDST-MOPGFXCFSA-N 1 0 384.564 4.276 20 0 GIADRO CCOc1cc(Cl)ccc1C[NH2+][C@@H](C)CC(=O)Nc1cccnc1Cl ZINC000181651923 821923587 /nfs/dbraw/zinc/92/35/87/821923587.db2.gz NPZIVXIHSDGYLT-LBPRGKRZSA-N 1 0 382.291 4.294 20 0 GIADRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@@H](C)c1ccc(C#N)cc1 ZINC000181655164 821925447 /nfs/dbraw/zinc/92/54/47/821925447.db2.gz RXKHLKRINAKWMS-AWEZNQCLSA-N 1 0 384.411 4.017 20 0 GIADRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@H](C)c1ccc(C#N)cc1 ZINC000181655186 821925645 /nfs/dbraw/zinc/92/56/45/821925645.db2.gz RXKHLKRINAKWMS-CQSZACIVSA-N 1 0 384.411 4.017 20 0 GIADRO C[C@@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181657506 821926685 /nfs/dbraw/zinc/92/66/85/821926685.db2.gz ZNRRXQYNIXRFHT-HZPDHXFCSA-N 1 0 378.944 4.267 20 0 GIADRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NCc2ccc(Cl)cn2)c1 ZINC000181666766 821932809 /nfs/dbraw/zinc/93/28/09/821932809.db2.gz CALBNEDTEZQDEO-UHFFFAOYSA-N 1 0 379.891 4.297 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1)c1cccnc1 ZINC000181667143 821933467 /nfs/dbraw/zinc/93/34/67/821933467.db2.gz OYHOPEWLLACNFF-ZHRRBRCNSA-N 1 0 379.891 4.291 20 0 GIADRO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CC(=O)Nc1ccccc1OC(F)F ZINC000181668381 821934126 /nfs/dbraw/zinc/93/41/26/821934126.db2.gz HCEVNWCDTQRGDW-KRWDZBQOSA-N 1 0 380.410 4.223 20 0 GIADRO CCC[C@H]([NH2+]CC(=O)N1CCC[C@H](C(F)(F)F)C1)c1ccc(F)cc1F ZINC000181675519 821938428 /nfs/dbraw/zinc/93/84/28/821938428.db2.gz OYDLCEUBMSTGDI-LRDDRELGSA-N 1 0 378.385 4.197 20 0 GIADRO CCCC(=O)NC[C@@H]1CCC[N@H+](CCCc2ccccc2Br)C1 ZINC000181682758 821942456 /nfs/dbraw/zinc/94/24/56/821942456.db2.gz BSNHJRSJZRVVNT-INIZCTEOSA-N 1 0 381.358 4.010 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@@H]2CCN(c3ccccn3)C2)cnn1-c1cccc(Cl)c1 ZINC000181698161 821948551 /nfs/dbraw/zinc/94/85/51/821948551.db2.gz QCBIOTAJFWXCSU-MAUKXSAKSA-N 1 0 381.911 4.159 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[NH2+][C@@H](CC(C)C)c2ccccc2OC)c1 ZINC000181705628 821951854 /nfs/dbraw/zinc/95/18/54/821951854.db2.gz NFQKYKBCAGEPIT-SFHVURJKSA-N 1 0 386.492 4.028 20 0 GIADRO COc1ccccc1CC(=O)N1CCC([NH2+]Cc2c(C)oc3ccccc32)CC1 ZINC000181730256 821965144 /nfs/dbraw/zinc/96/51/44/821965144.db2.gz RSZNUFJXXFWUGN-UHFFFAOYSA-N 1 0 392.499 4.073 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(N(C)C)n1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000181731871 821966299 /nfs/dbraw/zinc/96/62/99/821966299.db2.gz GSKGEDOCKDYKRM-LPHOPBHVSA-N 1 0 387.499 4.085 20 0 GIADRO CC(C)(C)C(=O)N1CCC(C[N@@H+](Cc2ccccc2)C[C@H](O)c2ccco2)CC1 ZINC000181739519 821970912 /nfs/dbraw/zinc/97/09/12/821970912.db2.gz YIHNEUHBNYETNI-NRFANRHFSA-N 1 0 398.547 4.100 20 0 GIADRO CCCCC[C@@H]([NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1)c1ccccc1 ZINC000181745470 821973169 /nfs/dbraw/zinc/97/31/69/821973169.db2.gz GMEIUZRZZMQIKD-RTWAWAEBSA-N 1 0 375.534 4.035 20 0 GIADRO CCCCC[C@@H]([NH2+]CC(=O)Nc1cccc(C(=O)N(C)C)c1)c1ccccc1 ZINC000181745792 821973912 /nfs/dbraw/zinc/97/39/12/821973912.db2.gz QYZCGFWIGYEQTE-OAQYLSRUSA-N 1 0 381.520 4.238 20 0 GIADRO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccnc1Oc1cccc(S(C)(=O)=O)c1 ZINC000181749254 821975167 /nfs/dbraw/zinc/97/51/67/821975167.db2.gz JRYOEINZRVZLHE-UZLBHIALSA-N 1 0 388.533 4.336 20 0 GIADRO COc1ccc(OC)c(CCC[NH2+][C@H](C)c2ncc(Br)s2)c1 ZINC000181779906 821989251 /nfs/dbraw/zinc/98/92/51/821989251.db2.gz FXNYCUSOANBYOO-LLVKDONJSA-N 1 0 385.327 4.206 20 0 GIADRO COc1cc(OC)c(NC(=O)C[NH2+][C@H](C)C(C)(C)c2ccccc2)cc1Cl ZINC000181786412 821991943 /nfs/dbraw/zinc/99/19/43/821991943.db2.gz DVRAVXYXNYCXNW-CQSZACIVSA-N 1 0 390.911 4.252 20 0 GIADRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000181810393 822002181 /nfs/dbraw/zinc/00/21/81/822002181.db2.gz NBGHBZJDZRLJHZ-IAGOWNOFSA-N 1 0 396.491 4.181 20 0 GIADRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000181810357 822002353 /nfs/dbraw/zinc/00/23/53/822002353.db2.gz NBGHBZJDZRLJHZ-SJORKVTESA-N 1 0 396.491 4.181 20 0 GIADRO C[C@@H]([NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1)c1cccc(OC(F)(F)F)c1 ZINC000181818874 822005113 /nfs/dbraw/zinc/00/51/13/822005113.db2.gz UHSYONPOQAWEDW-NVXWUHKLSA-N 1 0 392.421 4.285 20 0 GIADRO O=C(NCCc1ccc(OCC[NH+]2CCCC2)cc1)Nc1cccc2[nH]ccc21 ZINC000181821723 822006572 /nfs/dbraw/zinc/00/65/72/822006572.db2.gz IAPDMJVOFCEUPS-UHFFFAOYSA-N 1 0 392.503 4.007 20 0 GIADRO CC[C@@H]([NH2+]CC(=O)N[C@H](c1nccs1)c1ccccc1)c1ccc(OC)cc1 ZINC000181843815 822015162 /nfs/dbraw/zinc/01/51/62/822015162.db2.gz GQFPJPSKZWSTNG-CTNGQTDRSA-N 1 0 395.528 4.098 20 0 GIADRO CC(C)N(CC[NH+](C)C)C(=O)Nc1ccc(N2CCc3sccc3C2)cc1 ZINC000181851645 822016972 /nfs/dbraw/zinc/01/69/72/822016972.db2.gz BFEYAOMQPZMFLT-UHFFFAOYSA-N 1 0 386.565 4.115 20 0 GIADRO Cc1nc(C)c([C@@H](C)[N@H+](C)C[C@H](O)COc2ccccc2C(F)(F)F)s1 ZINC000181860459 822019016 /nfs/dbraw/zinc/01/90/16/822019016.db2.gz GLMPESZGFOAHID-OCCSQVGLSA-N 1 0 388.455 4.211 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N(C)[C@H](C)c1ccc(F)cc1)c1cccc(N2CCCC2)c1 ZINC000181860007 822019153 /nfs/dbraw/zinc/01/91/53/822019153.db2.gz ROPOBZLLIZGQAP-QZTJIDSGSA-N 1 0 383.511 4.296 20 0 GIADRO COc1ccc([C@@H](C[NH2+][C@H](C)c2ccc(NC(C)=O)cc2)N2CCCC2)cc1 ZINC000181917790 822036326 /nfs/dbraw/zinc/03/63/26/822036326.db2.gz GOEQXSXQVYFCPA-UZUQRXQVSA-N 1 0 381.520 4.141 20 0 GIADRO COc1cccc2cc([C@H](C)[NH2+]C[C@H](c3ccc(OC)c(OC)c3)N(C)C)oc21 ZINC000181918830 822036566 /nfs/dbraw/zinc/03/65/66/822036566.db2.gz QSKTZQWFXSNEMB-MAUKXSAKSA-N 1 0 398.503 4.412 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)cc1F ZINC000181997606 822057484 /nfs/dbraw/zinc/05/74/84/822057484.db2.gz YVXHCEYJIIZGDB-JKSUJKDBSA-N 1 0 385.483 4.112 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(Cl)cc(Cl)n1 ZINC000182012014 822061856 /nfs/dbraw/zinc/06/18/56/822061856.db2.gz VURNPFONKWFDSC-INIZCTEOSA-N 1 0 392.330 4.373 20 0 GIADRO CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)C1 ZINC000182025879 822066560 /nfs/dbraw/zinc/06/65/60/822066560.db2.gz KTXNUPCEMYPMKB-HNNXBMFYSA-N 1 0 380.410 4.314 20 0 GIADRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc(C)ccc1SC1CCCC1 ZINC000182053631 822075325 /nfs/dbraw/zinc/07/53/25/822075325.db2.gz HKWKUAXIWHBOHZ-QGZVFWFLSA-N 1 0 378.582 4.116 20 0 GIADRO O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)c1cc2ccccc2c(Cl)n1 ZINC000182058427 822077481 /nfs/dbraw/zinc/07/74/81/822077481.db2.gz XSXINOJZHLWCKX-UHFFFAOYSA-N 1 0 395.890 4.097 20 0 GIADRO CC(C)[C@H](CC(=O)Nc1ccccc1C[NH+]1CCC(O)CC1)c1ccccc1 ZINC000182064656 822079270 /nfs/dbraw/zinc/07/92/70/822079270.db2.gz RUPNQDQRKWNOCJ-QFIPXVFZSA-N 1 0 380.532 4.412 20 0 GIADRO CCc1oc(C(=O)OC)cc1C[NH2+][C@@H](C)c1ccc(OC)c(Br)c1 ZINC000182086309 822088011 /nfs/dbraw/zinc/08/80/11/822088011.db2.gz NHOCVSAXCFUPDC-NSHDSACASA-N 1 0 396.281 4.251 20 0 GIADRO CC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)cc1 ZINC000182100135 822093560 /nfs/dbraw/zinc/09/35/60/822093560.db2.gz XIKDJXMFAHTRRQ-CVAIRZPRSA-N 1 0 389.540 4.379 20 0 GIADRO CCCOc1c(Cl)cc(C[NH2+][C@H](C[S@@](C)=O)c2ccccc2)cc1OC ZINC000182107195 822096883 /nfs/dbraw/zinc/09/68/83/822096883.db2.gz QJQACVHOMCXVSZ-WXTAPIANSA-N 1 0 395.952 4.347 20 0 GIADRO CCSc1ccc([C@H](C)[NH2+]CC(=O)Nc2cccc(N3CCCC3=O)c2)cc1 ZINC000182112032 822098468 /nfs/dbraw/zinc/09/84/68/822098468.db2.gz BZWACEBJIMIGNX-INIZCTEOSA-N 1 0 397.544 4.215 20 0 GIADRO C[C@@H](Nc1cccc(OC[C@H]2CCCO2)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000182126939 822105993 /nfs/dbraw/zinc/10/59/93/822105993.db2.gz FOZHDPOWANMMMJ-WZONZLPQSA-N 1 0 384.520 4.358 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000182141921 822114320 /nfs/dbraw/zinc/11/43/20/822114320.db2.gz KJQLQPJAVKUOMW-OAHLLOKOSA-N 1 0 380.488 4.377 20 0 GIADRO CC[NH+](CC)Cc1cc([C@@H](C)Nc2cnn(Cc3ccccn3)c2)ccc1OC ZINC000182146098 822117048 /nfs/dbraw/zinc/11/70/48/822117048.db2.gz PNBAENSXMSXWGH-GOSISDBHSA-N 1 0 393.535 4.350 20 0 GIADRO C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1ccc(N2CCOC2=O)cc1 ZINC000182157955 822122467 /nfs/dbraw/zinc/12/24/67/822122467.db2.gz PWUNPSRPZARXSY-QTJFZDIUSA-N 1 0 388.414 4.102 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1ccc(N2CCOC2=O)cc1 ZINC000182157978 822123172 /nfs/dbraw/zinc/12/31/72/822123172.db2.gz PWUNPSRPZARXSY-CAYVGHNUSA-N 1 0 388.414 4.102 20 0 GIADRO CC(C)c1ccc(C2(O)CCC([NH2+]Cc3cn(C)nc3C(F)(F)F)CC2)cc1 ZINC000182161786 822124684 /nfs/dbraw/zinc/12/46/84/822124684.db2.gz CWBLCAVPNBXHPE-UHFFFAOYSA-N 1 0 395.469 4.482 20 0 GIADRO Cc1cccnc1[C@H]([NH2+]C[C@H](O)COc1ccccc1C(F)(F)F)C(C)C ZINC000182175236 822132392 /nfs/dbraw/zinc/13/23/92/822132392.db2.gz PYNWBCFGQDXEBS-MAUKXSAKSA-N 1 0 382.426 4.135 20 0 GIADRO COCCOC[C@H]1CC[N@H+](Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)C1 ZINC000182201467 822144636 /nfs/dbraw/zinc/14/46/36/822144636.db2.gz FGEQXQHGMRKOBO-HNNXBMFYSA-N 1 0 383.410 4.450 20 0 GIADRO CN(C)C(=O)CC1CC[NH+](CCOc2ccc(Oc3ccccc3)cc2)CC1 ZINC000182205336 822146004 /nfs/dbraw/zinc/14/60/04/822146004.db2.gz GGHAXOYWKYGMIY-UHFFFAOYSA-N 1 0 382.504 4.048 20 0 GIADRO COc1cccc([C@@H]2[C@@H]([NH2+][C@H](C)c3ccc(NC(C)=O)cc3)CCN2C2CC2)c1 ZINC000182223221 822154756 /nfs/dbraw/zinc/15/47/56/822154756.db2.gz ONSGDHVEDQNCSN-QQTNTEGQSA-N 1 0 393.531 4.282 20 0 GIADRO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H](c1cccs1)c1ccc2c(c1)CCCC2 ZINC000182248870 822167666 /nfs/dbraw/zinc/16/76/66/822167666.db2.gz ZEUNNGQIFGRYHK-MGPUTAFESA-N 1 0 377.575 4.129 20 0 GIADRO CC[C@@H]([NH2+]CC(=O)Nc1cc2oc3ccccc3c2cc1OC)[C@H]1CCCO1 ZINC000182251181 822169054 /nfs/dbraw/zinc/16/90/54/822169054.db2.gz XIVMQKXIDZBMJJ-VQIMIIECSA-N 1 0 382.460 4.080 20 0 GIADRO C[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+](CCC(=O)c2ccc(F)cc2)CC1 ZINC000182250995 822169118 /nfs/dbraw/zinc/16/91/18/822169118.db2.gz ZLBQPEIETQJQAC-OAHLLOKOSA-N 1 0 378.488 4.024 20 0 GIADRO CCOc1ccc(-c2nc(C[NH2+][C@H](CC)[C@@H]3CCCO3)cs2)cc1OC ZINC000182309195 822197800 /nfs/dbraw/zinc/19/78/00/822197800.db2.gz FNAMVMBGGYRQKS-SJORKVTESA-N 1 0 376.522 4.265 20 0 GIADRO CC[C@H]([NH2+]Cc1ccc(S(=O)(=O)CC)cc1)c1ccc(Br)cc1 ZINC000182336341 822206632 /nfs/dbraw/zinc/20/66/32/822206632.db2.gz BOQLWRHQSDSRNO-SFHVURJKSA-N 1 0 396.350 4.484 20 0 GIADRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)c1 ZINC000182344876 822209357 /nfs/dbraw/zinc/20/93/57/822209357.db2.gz VJLIXVHFTSFHHP-VXGBXAGGSA-N 1 0 382.382 4.097 20 0 GIADRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(Cl)c2Cl)c1 ZINC000182350236 822210603 /nfs/dbraw/zinc/21/06/03/822210603.db2.gz WHYHWNJTFIDTHD-GHMZBOCLSA-N 1 0 383.275 4.385 20 0 GIADRO COc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@H](C)c2ccc(C)cc2)cc1OC ZINC000182351184 822211374 /nfs/dbraw/zinc/21/13/74/822211374.db2.gz BGVYAOKOSFMJTB-XLIONFOSSA-N 1 0 382.504 4.027 20 0 GIADRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C(=O)Nc2ccccc2)c2ccccc2)c1 ZINC000182365202 822216770 /nfs/dbraw/zinc/21/67/70/822216770.db2.gz XCCXVXQPTFSWAH-KSFYIVLOSA-N 1 0 376.456 4.431 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)C[C@H]3CCOc4ccccc43)cc2)CC1 ZINC000182373846 822219782 /nfs/dbraw/zinc/21/97/82/822219782.db2.gz IEDPUSDTYVHLQU-GOSISDBHSA-N 1 0 393.531 4.112 20 0 GIADRO C[C@@H](Cc1cccc(F)c1)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000182374025 822219859 /nfs/dbraw/zinc/21/98/59/822219859.db2.gz OSTIWVKZHXCBPY-KRWDZBQOSA-N 1 0 383.511 4.173 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)CCCOc3ccccc3)cc2)CC1 ZINC000182375867 822220414 /nfs/dbraw/zinc/22/04/14/822220414.db2.gz FVMYBCXNQLMXSO-UHFFFAOYSA-N 1 0 381.520 4.015 20 0 GIADRO C[C@@H](NC(=O)NCc1ccc(C(F)(F)F)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182379799 822222327 /nfs/dbraw/zinc/22/23/27/822222327.db2.gz SELAMVRPMVXEBQ-ZBFHGGJFSA-N 1 0 383.458 4.158 20 0 GIADRO CC[C@@H](C)Oc1cc(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)ccn1 ZINC000182384593 822223880 /nfs/dbraw/zinc/22/38/80/822223880.db2.gz GQQXMZKKQDSOCQ-QGZVFWFLSA-N 1 0 396.535 4.042 20 0 GIADRO C[C@@H](NC(=O)N[C@@H](C)c1cccc(OC(F)F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182403694 822231419 /nfs/dbraw/zinc/23/14/19/822231419.db2.gz LVCOJYHTCFZUEV-ZMSDIMECSA-N 1 0 395.494 4.301 20 0 GIADRO CC(C)(CCc1ccccc1)NCc1nnc(C(=O)Nc2ccccc2)s1 ZINC000182432604 822240565 /nfs/dbraw/zinc/24/05/65/822240565.db2.gz BFVMFACCASNGBM-UHFFFAOYSA-N 1 0 380.517 4.291 20 0 GIADRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)c1 ZINC000182438469 822242828 /nfs/dbraw/zinc/24/28/28/822242828.db2.gz QJOCERYELQEKQC-ZWKOTPCHSA-N 1 0 395.503 4.004 20 0 GIADRO COC(=O)c1ccc(C)c(NC(=O)C[NH2+][C@@H](C)c2ccc(C(F)(F)F)cc2)c1 ZINC000182459285 822250683 /nfs/dbraw/zinc/25/06/83/822250683.db2.gz QMKPDOVWEJPKRU-ZDUSSCGKSA-N 1 0 394.393 4.090 20 0 GIADRO C[C@@H]([NH2+]Cc1ccccc1N1CCOCC1)c1ccccc1OC(F)(F)F ZINC000177963660 822259754 /nfs/dbraw/zinc/25/97/54/822259754.db2.gz VVKSYZBWSQAVMH-OAHLLOKOSA-N 1 0 380.410 4.273 20 0 GIADRO C[C@@H]([NH2+]Cc1ccccc1N1CCOCC1)[C@H](C)c1nc2ccccc2s1 ZINC000177964190 822260071 /nfs/dbraw/zinc/26/00/71/822260071.db2.gz ZYJQLOXOAJSXSW-DLBZAZTESA-N 1 0 381.545 4.415 20 0 GIADRO Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000177968497 822261365 /nfs/dbraw/zinc/26/13/65/822261365.db2.gz MRFXNPILAOQZBF-GFCCVEGCSA-N 1 0 386.970 4.353 20 0 GIADRO Cc1ccc(NC(=O)c2nnc(C[N@@H+]3CCC[C@]4(CC=CCC4)C3)s2)cc1 ZINC000182485243 822261586 /nfs/dbraw/zinc/26/15/86/822261586.db2.gz NLWGGYXMQIWJOD-OAQYLSRUSA-N 1 0 382.533 4.421 20 0 GIADRO CC(=O)Nc1cc(C(=O)N(CC[NH+](C)C)C2CCCCC2)cc(C(F)(F)F)c1 ZINC000177976077 822266219 /nfs/dbraw/zinc/26/62/19/822266219.db2.gz HGHCNVAUMWAGGL-UHFFFAOYSA-N 1 0 399.457 4.000 20 0 GIADRO Cc1cc(C)c(NC(=O)CCC[N@@H+](C)[C@@H](C)CNC(=O)OC(C)(C)C)c(C)c1 ZINC000177994586 822274725 /nfs/dbraw/zinc/27/47/25/822274725.db2.gz CWEOHGPGUHXOMV-SFHVURJKSA-N 1 0 391.556 4.176 20 0 GIADRO Cc1coc(-c2ccc(C)c(NC(=O)N3CCC[N@@H+](C4CCCC4)CC3)c2)n1 ZINC000177996122 822275780 /nfs/dbraw/zinc/27/57/80/822275780.db2.gz DSNCRMLAGUREDD-UHFFFAOYSA-N 1 0 382.508 4.441 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000182519933 822280172 /nfs/dbraw/zinc/28/01/72/822280172.db2.gz LOFBMVLKTPPOEP-QFIPXVFZSA-N 1 0 395.551 4.223 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000182519917 822280226 /nfs/dbraw/zinc/28/02/26/822280226.db2.gz LOFBMVLKTPPOEP-JOCHJYFZSA-N 1 0 395.551 4.223 20 0 GIADRO Cc1nn(C(C)(C)C)cc1C(=O)Nc1cc(C[NH+]2CCSCC2)ccc1C ZINC000182525697 822283057 /nfs/dbraw/zinc/28/30/57/822283057.db2.gz PRDAUTJCQSLNGI-UHFFFAOYSA-N 1 0 386.565 4.056 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1)c1ccc2c(c1)OCCCO2 ZINC000178020983 822285595 /nfs/dbraw/zinc/28/55/95/822285595.db2.gz SFUJWJCSICSAMF-DLBZAZTESA-N 1 0 380.488 4.387 20 0 GIADRO Cc1ccc(-c2cc(C[NH2+][C@@H](C)c3ccc(N4CCOC4=O)cc3)on2)cc1 ZINC000178026147 822288065 /nfs/dbraw/zinc/28/80/65/822288065.db2.gz QYCGCGDKGQZTGC-INIZCTEOSA-N 1 0 377.444 4.457 20 0 GIADRO COc1ccc(NC(=O)C[C@H](C)[NH2+]CCc2ccc3ccccc3c2)c(OC)c1 ZINC000178025351 822288206 /nfs/dbraw/zinc/28/82/06/822288206.db2.gz VGIWEMFQFJZVAX-KRWDZBQOSA-N 1 0 392.499 4.406 20 0 GIADRO COc1cc([C@@H](C)[NH2+]CCc2ccc3ccccc3c2)ccc1S(C)(=O)=O ZINC000178025664 822288304 /nfs/dbraw/zinc/28/83/04/822288304.db2.gz WCHIRRDUGYEEOY-MRXNPFEDSA-N 1 0 383.513 4.145 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+][C@H]2CCSc3ccccc32)cc1 ZINC000178027758 822288622 /nfs/dbraw/zinc/28/86/22/822288622.db2.gz IREMVRYWKYKJJQ-KDOFPFPSSA-N 1 0 376.547 4.336 20 0 GIADRO CCC[C@@H]1C[C@H](C(=O)Nc2cc(Cl)ccc2N2CC[NH+](CC)CC2)CCO1 ZINC000182537986 822289527 /nfs/dbraw/zinc/28/95/27/822289527.db2.gz FEURJBBMIFHBIV-SJLPKXTDSA-N 1 0 393.959 4.016 20 0 GIADRO CCN(CC)C(=O)CCC1CC[NH+](Cc2ncc(-c3cccc(F)c3)o2)CC1 ZINC000182548633 822296428 /nfs/dbraw/zinc/29/64/28/822296428.db2.gz IOXANQGUDLAHRL-UHFFFAOYSA-N 1 0 387.499 4.341 20 0 GIADRO COc1ccc(NC(=O)C[C@@H](C)[NH2+]CCc2csc3ccccc23)c(OC)c1 ZINC000178047259 822298380 /nfs/dbraw/zinc/29/83/80/822298380.db2.gz ZHACVJQGWUGFME-OAHLLOKOSA-N 1 0 398.528 4.468 20 0 GIADRO C[C@@H]([NH2+]Cc1cccnc1-n1cncn1)c1cccc(OCc2ccccc2)c1 ZINC000178048200 822299165 /nfs/dbraw/zinc/29/91/65/822299165.db2.gz IGPJSPSUHBDYQG-GOSISDBHSA-N 1 0 385.471 4.092 20 0 GIADRO CCC[C@@H]([NH2+]Cc1cccnc1-n1cncn1)c1cccc(C(F)(F)F)c1 ZINC000178055559 822303054 /nfs/dbraw/zinc/30/30/54/822303054.db2.gz NCISHLBGSPRECX-QGZVFWFLSA-N 1 0 375.398 4.312 20 0 GIADRO C[C@@H](c1ccc(F)cc1)[NH+]1CCC(OCCCNC(=O)OC(C)(C)C)CC1 ZINC000178066026 822307275 /nfs/dbraw/zinc/30/72/75/822307275.db2.gz JIZZBLQFZQGVSE-INIZCTEOSA-N 1 0 380.504 4.283 20 0 GIADRO CC[C@@H]([NH2+]CC(=O)Nc1nc(CN2CCCC2)cs1)c1cccc(Cl)c1 ZINC000182585387 822312613 /nfs/dbraw/zinc/31/26/13/822312613.db2.gz LHEGIUHSBHDLAD-QGZVFWFLSA-N 1 0 392.956 4.072 20 0 GIADRO COc1cccc([C@@H](O)C[NH2+][C@H](C)c2sc(Cc3ccccc3)nc2C)c1 ZINC000178085453 822313526 /nfs/dbraw/zinc/31/35/26/822313526.db2.gz VRYHBKQAANKQFQ-QRWLVFNGSA-N 1 0 382.529 4.435 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(OC)cc1OC)c1cccc(Cl)c1 ZINC000182592270 822315245 /nfs/dbraw/zinc/31/52/45/822315245.db2.gz NQZXHLCCNKFHOA-GUYCJALGSA-N 1 0 376.884 4.425 20 0 GIADRO CCc1nc(CN2CCC(C[NH2+][C@H](C)c3ccc4c(c3)CCO4)CC2)cs1 ZINC000178092418 822315427 /nfs/dbraw/zinc/31/54/27/822315427.db2.gz SROFQDIEQJXHFC-MRXNPFEDSA-N 1 0 385.577 4.203 20 0 GIADRO NC(=O)N1CCC([NH2+][C@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000178102988 822320479 /nfs/dbraw/zinc/32/04/79/822320479.db2.gz CUZZJAPVILAEAW-GOSISDBHSA-N 1 0 378.303 4.216 20 0 GIADRO COc1ccc(C[NH2+][C@@H]2CCCOc3ccc(Br)cc32)cc1OC ZINC000178105998 822322134 /nfs/dbraw/zinc/32/21/34/822322134.db2.gz YMYVIWVGMBLDCM-MRXNPFEDSA-N 1 0 392.293 4.470 20 0 GIADRO O=C(Nc1ccc(-c2ncco2)cc1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000182612807 822322624 /nfs/dbraw/zinc/32/26/24/822322624.db2.gz UYJAQPIOJWPNND-UHFFFAOYSA-N 1 0 390.487 4.170 20 0 GIADRO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@H]1COc2ccccc2C1 ZINC000178109586 822322746 /nfs/dbraw/zinc/32/27/46/822322746.db2.gz RDYXONBWPWUHFR-UKRRQHHQSA-N 1 0 378.394 4.016 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@H](c2ccccc2)[C@@H]2CCCO2)cc1 ZINC000178122861 822325965 /nfs/dbraw/zinc/32/59/65/822325965.db2.gz ANXJVTVGHXCDEJ-ORYQWCPZSA-N 1 0 388.533 4.019 20 0 GIADRO C[C@H](CC(=O)N(C)C)[NH2+][C@@H](c1ccccc1)c1ccc(Br)cc1F ZINC000178129729 822327365 /nfs/dbraw/zinc/32/73/65/822327365.db2.gz JCUSISSSWHRLBE-YJYMSZOUSA-N 1 0 393.300 4.134 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1cc2ccccc2o1)C(=O)NCCc1c[nH]c2ccccc12 ZINC000182625286 822327602 /nfs/dbraw/zinc/32/76/02/822327602.db2.gz GUWUGLQTFBAOCZ-HOTGVXAUSA-N 1 0 375.472 4.312 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1cc2ccccc2o1)C(=O)NCCc1c[nH]c2ccccc12 ZINC000182625328 822327676 /nfs/dbraw/zinc/32/76/76/822327676.db2.gz GUWUGLQTFBAOCZ-JKSUJKDBSA-N 1 0 375.472 4.312 20 0 GIADRO C[C@H]([NH2+]CCC(=O)Nc1ccc(N2CCCC2=O)cc1)c1cc2ccccc2o1 ZINC000182631649 822331426 /nfs/dbraw/zinc/33/14/26/822331426.db2.gz XCSIOBIDWMVDPA-INIZCTEOSA-N 1 0 391.471 4.239 20 0 GIADRO O=C(Nc1cccc(-c2cccs2)c1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000178145610 822332370 /nfs/dbraw/zinc/33/23/70/822332370.db2.gz XWAQHFGRBNODFX-UXHICEINSA-N 1 0 399.560 4.305 20 0 GIADRO C[C@@H]([NH2+]CCNC(=O)c1ccccc1Cl)c1ccc(Br)s1 ZINC000178169173 822339766 /nfs/dbraw/zinc/33/97/66/822339766.db2.gz KPPPVJDGFAYRTF-SNVBAGLBSA-N 1 0 387.730 4.245 20 0 GIADRO C[C@@H](NC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ncc(-c2ccccc2)o1 ZINC000182656573 822340767 /nfs/dbraw/zinc/34/07/67/822340767.db2.gz YLQKAGABDGQNBK-YQVWRLOYSA-N 1 0 396.535 4.355 20 0 GIADRO C[C@@H]([NH2+]CCNC(=O)c1ccccc1Cl)c1cc(Br)ccc1F ZINC000178171241 822340843 /nfs/dbraw/zinc/34/08/43/822340843.db2.gz URFDMBMOEFSRCT-LLVKDONJSA-N 1 0 399.691 4.322 20 0 GIADRO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CCNC(=O)c1ccccc1Cl ZINC000178171674 822341065 /nfs/dbraw/zinc/34/10/65/822341065.db2.gz JEHNDCHCGPBRLV-GFCCVEGCSA-N 1 0 379.957 4.483 20 0 GIADRO O=C(NCc1ccc(Oc2ccccc2)nc1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178177259 822343139 /nfs/dbraw/zinc/34/31/39/822343139.db2.gz CYZBBZSNXRIEKD-IBGZPJMESA-N 1 0 379.504 4.145 20 0 GIADRO CCC(CC)c1cc(CNC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)on1 ZINC000182671029 822346240 /nfs/dbraw/zinc/34/62/40/822346240.db2.gz PRYDPXQRWSPMLC-NVXWUHKLSA-N 1 0 376.545 4.030 20 0 GIADRO COc1ccc([C@H](C)[NH2+]C[C@H](c2ccccc2Cl)N(C)C)cc1NC(C)=O ZINC000178189061 822347121 /nfs/dbraw/zinc/34/71/21/822347121.db2.gz GFUVSSNNXVRHOQ-VBKZILBWSA-N 1 0 389.927 4.261 20 0 GIADRO O=C(CC[NH2+][C@H]1CCCc2nc(-c3ccc(F)cc3)sc21)N1CCCCC1 ZINC000178201881 822350738 /nfs/dbraw/zinc/35/07/38/822350738.db2.gz KYYZRGYEECBZHB-KRWDZBQOSA-N 1 0 387.524 4.319 20 0 GIADRO COc1ccc(CCC(=O)Nc2ccc([C@H](C)[NH3+])cc2)cc1Br ZINC000178207099 822352548 /nfs/dbraw/zinc/35/25/48/822352548.db2.gz CSANRRIYJGCXFK-LBPRGKRZSA-N 1 0 377.282 4.049 20 0 GIADRO C[C@H](CCNC(=O)N(CCc1ccccc1)Cc1ccncc1)[NH+]1CCCCC1 ZINC000182695329 822353572 /nfs/dbraw/zinc/35/35/72/822353572.db2.gz FCTRTLIFOWGZLZ-OAQYLSRUSA-N 1 0 394.563 4.100 20 0 GIADRO C[C@H]([NH2+]C1CCN(Cc2ccncc2)CC1)c1ccc(F)c(Br)c1 ZINC000178231111 822356627 /nfs/dbraw/zinc/35/66/27/822356627.db2.gz NRGFUFHLCBKUOZ-AWEZNQCLSA-N 1 0 392.316 4.298 20 0 GIADRO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CCc1ccc2c(c1)CCO2 ZINC000178232667 822356948 /nfs/dbraw/zinc/35/69/48/822356948.db2.gz XZUZDSDWHRCSPX-AWEZNQCLSA-N 1 0 392.421 4.190 20 0 GIADRO C[C@@H]([NH2+]C1CCN(Cc2ccncc2)CC1)c1ccc(F)cc1OC(F)F ZINC000178235219 822357191 /nfs/dbraw/zinc/35/71/91/822357191.db2.gz UIGFOGWZCBWQAY-CQSZACIVSA-N 1 0 379.426 4.137 20 0 GIADRO CN(C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCc2ccccc21 ZINC000045027154 822358208 /nfs/dbraw/zinc/35/82/08/822358208.db2.gz BATUDQGQAUIKNT-QHCPKHFHSA-N 1 0 377.532 4.370 20 0 GIADRO Cn1ccnc1[C@@H]1C[C@@H]([NH2+][C@@H]2CCCOc3cc4c(cc32)CCCC4)CCO1 ZINC000453404881 822358470 /nfs/dbraw/zinc/35/84/70/822358470.db2.gz RZKAPPQHBCTLRC-DWLFOUALSA-N 1 0 381.520 4.023 20 0 GIADRO COc1cc(F)cc(C[C@H](C)[NH2+][C@H](C)c2cc(OC)c(OC)c(OC)c2)c1 ZINC000453408343 822358598 /nfs/dbraw/zinc/35/85/98/822358598.db2.gz VKNMNKJTNFEOJL-UONOGXRCSA-N 1 0 377.456 4.142 20 0 GIADRO Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)[NH2+][C@@H]1CCC[C@H]1O ZINC000453409400 822358846 /nfs/dbraw/zinc/35/88/46/822358846.db2.gz ONFSWENGTRRBMI-VCTAVGKDSA-N 1 0 381.339 4.445 20 0 GIADRO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)C[C@H](C)O1 ZINC000178256449 822359646 /nfs/dbraw/zinc/35/96/46/822359646.db2.gz YOTLFNYAORRPDM-IYBDPMFKSA-N 1 0 398.469 4.057 20 0 GIADRO C[C@H]1C[NH+](CCC2CCN(C(=O)CCc3ccc(Cl)cc3)CC2)C[C@H](C)O1 ZINC000178261509 822360329 /nfs/dbraw/zinc/36/03/29/822360329.db2.gz LJBNEZDOZOFDML-ROUUACIJSA-N 1 0 392.971 4.011 20 0 GIADRO C[C@@]1(C[NH2+][C@H](c2ccc(F)cc2)c2ccc(C(F)(F)F)cc2)CCC(=O)N1 ZINC000453420399 822360407 /nfs/dbraw/zinc/36/04/07/822360407.db2.gz LNQFANMBEFAHOW-OALUTQOASA-N 1 0 380.385 4.192 20 0 GIADRO C[C@@H]([NH3+])c1ccc(NC(=O)[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)cc1 ZINC000178262887 822360540 /nfs/dbraw/zinc/36/05/40/822360540.db2.gz YEUFMLSTYWPQQR-DGCLKSJQSA-N 1 0 392.286 4.005 20 0 GIADRO Cc1cc(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)ccc1OC1CCOCC1 ZINC000178265225 822360931 /nfs/dbraw/zinc/36/09/31/822360931.db2.gz VILZXRCDTICYEY-SFHVURJKSA-N 1 0 386.536 4.146 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1[nH]c2ccc(F)cc2c1Cl)c1cccc(F)c1 ZINC000045080060 822361402 /nfs/dbraw/zinc/36/14/02/822361402.db2.gz AVYNIHSFOSBLCX-INIZCTEOSA-N 1 0 377.822 4.132 20 0 GIADRO C[C@]1(C[NH2+][C@@H](c2ccc(Cl)cc2)c2ccc(OC(F)F)cc2)CCC(=O)N1 ZINC000453428755 822361807 /nfs/dbraw/zinc/36/18/07/822361807.db2.gz PXQUOGJCQCCRBH-AZUAARDMSA-N 1 0 394.849 4.289 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+][C@@H](CO)Cc1ccc(C)c(C)c1 ZINC000453430877 822362072 /nfs/dbraw/zinc/36/20/72/822362072.db2.gz IYCWHCAMLFHFJI-OXQOHEQNSA-N 1 0 381.545 4.385 20 0 GIADRO COc1cc(OC)cc(N2CC[C@@H]([NH2+][C@@H](C)c3ccc4ccccc4n3)C2)c1 ZINC000178275971 822362189 /nfs/dbraw/zinc/36/21/89/822362189.db2.gz WFJDTGIADHQXIS-FUHWJXTLSA-N 1 0 377.488 4.182 20 0 GIADRO C[C@@H](c1cccc(Br)c1)[NH+]1CCC(C(=O)N2CCCCC2)CC1 ZINC000178279564 822362555 /nfs/dbraw/zinc/36/25/55/822362555.db2.gz FJPWDJUUKNBKSY-HNNXBMFYSA-N 1 0 379.342 4.235 20 0 GIADRO CCOc1ccc([C@@H](C)NC(=O)C[NH2+][C@H](C)c2cc(C)sc2C)cc1OC ZINC000182755746 822362730 /nfs/dbraw/zinc/36/27/30/822362730.db2.gz ZDYJVNZJCKPNIR-HUUCEWRRSA-N 1 0 390.549 4.300 20 0 GIADRO Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000182756777 822362913 /nfs/dbraw/zinc/36/29/13/822362913.db2.gz NGAAKEZAOUPWMV-VQTJNVASSA-N 1 0 389.588 4.021 20 0 GIADRO COc1cc(C)c([C@H](C)NC(=O)C[NH2+][C@H](C)c2cc(C)sc2C)cc1OC ZINC000182759528 822363473 /nfs/dbraw/zinc/36/34/73/822363473.db2.gz IUAMXNXIEGLKNZ-CABCVRRESA-N 1 0 390.549 4.219 20 0 GIADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H](Cc2ccccc2)c2ccccc2)c1 ZINC000178297257 822364430 /nfs/dbraw/zinc/36/44/30/822364430.db2.gz ORVXURQKGJFTSE-JPYJTQIMSA-N 1 0 394.540 4.229 20 0 GIADRO CC[C@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1ccc(OC(F)F)cc1 ZINC000178301278 822364979 /nfs/dbraw/zinc/36/49/79/822364979.db2.gz WWLFQEUVDRZRBN-SFHVURJKSA-N 1 0 383.460 4.074 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(Oc2ccccc2)nc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000178299708 822365027 /nfs/dbraw/zinc/36/50/27/822365027.db2.gz CXPHMYWVSFZQKF-INIZCTEOSA-N 1 0 397.500 4.096 20 0 GIADRO C[C@H](NC(=O)NCc1ccccc1N1CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182781987 822366620 /nfs/dbraw/zinc/36/66/20/822366620.db2.gz HJBDJTRNJLHHLA-PZJWPPBQSA-N 1 0 398.595 4.129 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)N[C@@H](c1ccco1)c1ccccc1 ZINC000045154198 822366791 /nfs/dbraw/zinc/36/67/91/822366791.db2.gz AQJJRTHBRKFVDS-HSZRJFAPSA-N 1 0 389.499 4.464 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccnc1C)c1ccc(OC(F)(F)F)cc1 ZINC000453457436 822367576 /nfs/dbraw/zinc/36/75/76/822367576.db2.gz VLXOEMXYOHOUKK-BBRMVZONSA-N 1 0 381.398 4.357 20 0 GIADRO COc1ccc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1OC1CCCC1 ZINC000182788329 822367644 /nfs/dbraw/zinc/36/76/44/822367644.db2.gz PWZHTVQPOXPSLI-LJQANCHMSA-N 1 0 386.536 4.107 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)N1CCC[C@@H]1c1ccncc1 ZINC000045182166 822368172 /nfs/dbraw/zinc/36/81/72/822368172.db2.gz ANGBXDTUHQOMMZ-OAQYLSRUSA-N 1 0 398.938 4.246 20 0 GIADRO O=C1[C@H]([NH2+][C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)C[C@@H]2CCCCN12 ZINC000453459402 822368252 /nfs/dbraw/zinc/36/82/52/822368252.db2.gz WJXOZLWYTXLCPU-LZLYRXPVSA-N 1 0 385.508 4.070 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)NCc2cc(-c3ccccc3)no2)cc1 ZINC000045181907 822368258 /nfs/dbraw/zinc/36/82/58/822368258.db2.gz VDTMAJHYYRYYIE-UHFFFAOYSA-N 1 0 392.503 4.183 20 0 GIADRO COC(=O)Nc1ccc(NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000045186950 822368729 /nfs/dbraw/zinc/36/87/29/822368729.db2.gz OJFUWXNFTVRDLU-UHFFFAOYSA-N 1 0 396.491 4.173 20 0 GIADRO COc1cccc([C@@H]2CCCN2C(=O)NCc2ccccc2C[NH+]2CCCC2)c1 ZINC000045191923 822369202 /nfs/dbraw/zinc/36/92/02/822369202.db2.gz BZAVLLPLRZLFTE-QHCPKHFHSA-N 1 0 393.531 4.338 20 0 GIADRO CCCCOc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccnc2C)cc1OC ZINC000453462859 822369260 /nfs/dbraw/zinc/36/92/60/822369260.db2.gz XKRPLKDMNULISA-WBVHZDCISA-N 1 0 385.508 4.255 20 0 GIADRO C[C@@H](Nc1cccc(C[NH+]2CCSCC2)c1)c1cccc(N2CCOC2=O)c1 ZINC000182802334 822370039 /nfs/dbraw/zinc/37/00/39/822370039.db2.gz MMLSQZHBJHXQQP-QGZVFWFLSA-N 1 0 397.544 4.365 20 0 GIADRO CC[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccs1 ZINC000178349781 822369983 /nfs/dbraw/zinc/36/99/83/822369983.db2.gz KVXAOBFHBSUJGX-SFHVURJKSA-N 1 0 378.563 4.164 20 0 GIADRO Cc1cc([C@@H](C)[NH2+]Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)c(C)s1 ZINC000178349310 822370112 /nfs/dbraw/zinc/37/01/12/822370112.db2.gz JAPCRIQMSIJHGU-MRXNPFEDSA-N 1 0 392.590 4.390 20 0 GIADRO COCCOc1ccc([C@@H](C)Nc2cccc(C[NH+]3CCSCC3)c2)cc1 ZINC000182804110 822370343 /nfs/dbraw/zinc/37/03/43/822370343.db2.gz ULOWUMOQBPJTOB-GOSISDBHSA-N 1 0 386.561 4.434 20 0 GIADRO COc1ccc([C@@H](C)Nc2cccc(C[NH+]3CCSCC3)c2)cc1NC(C)=O ZINC000182805100 822370500 /nfs/dbraw/zinc/37/05/00/822370500.db2.gz RGQPOHVWHSWNFR-MRXNPFEDSA-N 1 0 399.560 4.376 20 0 GIADRO C[C@@H]([NH2+]C1CCN(C(=O)N(C)C)CC1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000182805481 822370575 /nfs/dbraw/zinc/37/05/75/822370575.db2.gz WKAFXFXNBBFXMG-QGZVFWFLSA-N 1 0 399.510 4.201 20 0 GIADRO Cc1nc2c(s1)[C@@H]([NH2+]CCC(=O)Nc1ccc(Br)cc1)CCC2 ZINC000178353821 822370636 /nfs/dbraw/zinc/37/06/36/822370636.db2.gz NZYGOOAYZHRTTD-AWEZNQCLSA-N 1 0 394.338 4.210 20 0 GIADRO CC[NH+](CC)[C@H](CNc1nccn(C2CC2)c1=O)c1ccc(C(F)(F)F)cc1 ZINC000182806401 822370779 /nfs/dbraw/zinc/37/07/79/822370779.db2.gz ATDFUSJNKOYQAP-QGZVFWFLSA-N 1 0 394.441 4.092 20 0 GIADRO COc1ccc(OC)c([C@H](C)[NH2+][C@H](C)c2ccc(OCc3nccn3C)cc2)c1 ZINC000178356256 822370939 /nfs/dbraw/zinc/37/09/39/822370939.db2.gz WCNKCPTXXKYTPT-SJORKVTESA-N 1 0 395.503 4.428 20 0 GIADRO CCn1c([C@@H]2CC[C@H](C)O2)nnc1N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000453469016 822371214 /nfs/dbraw/zinc/37/12/14/822371214.db2.gz UPKSKMLBLFRNJT-HBFSDRIKSA-N 1 0 389.588 4.019 20 0 GIADRO CC(C)c1ccc([C@@H](C[NH2+][C@@H](C)c2nccn2C)NC(=O)OC(C)(C)C)cc1 ZINC000182811135 822371362 /nfs/dbraw/zinc/37/13/62/822371362.db2.gz WDUSMWOAPLCYMP-QFBILLFUSA-N 1 0 386.540 4.460 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1csc(Br)c1 ZINC000045236745 822372036 /nfs/dbraw/zinc/37/20/36/822372036.db2.gz GACPQYCNVLSGCO-UHFFFAOYSA-N 1 0 397.338 4.484 20 0 GIADRO CC[NH+](CC)Cc1cc([C@H](C)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)ccc1OC ZINC000182819027 822372645 /nfs/dbraw/zinc/37/26/45/822372645.db2.gz PUGJRVQAABMMRS-JKSUJKDBSA-N 1 0 397.519 4.430 20 0 GIADRO COc1cc(C[NH2+][C@H](C)c2sc(-c3cccnc3)nc2C)cc(OC)c1OC ZINC000178378956 822373011 /nfs/dbraw/zinc/37/30/11/822373011.db2.gz MFNBLQWKBAJWHW-CYBMUJFWSA-N 1 0 399.516 4.390 20 0 GIADRO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)Nc1c(F)cc(Cl)cc1F ZINC000182826247 822373889 /nfs/dbraw/zinc/37/38/89/822373889.db2.gz NRUSZJGENVQVKC-OAHLLOKOSA-N 1 0 393.865 4.304 20 0 GIADRO CC[NH2+]Cc1ccccc1NC(=O)Cc1ccc(OCc2c(C)noc2C)cc1 ZINC000178404391 822375826 /nfs/dbraw/zinc/37/58/26/822375826.db2.gz TXJFQBPGBMMGMO-UHFFFAOYSA-N 1 0 393.487 4.161 20 0 GIADRO Cc1nc2ccccc2n1CC[NH2+][C@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000178405701 822375995 /nfs/dbraw/zinc/37/59/95/822375995.db2.gz CTARCUAOJDJOSL-QGZVFWFLSA-N 1 0 389.503 4.008 20 0 GIADRO CC[C@@H]([NH2+][C@@H](C)c1cccc(N2CCCS2(=O)=O)c1)c1cc(F)ccc1F ZINC000178405954 822376090 /nfs/dbraw/zinc/37/60/90/822376090.db2.gz QJPAZDOBTWXIQX-VBKZILBWSA-N 1 0 394.487 4.307 20 0 GIADRO C[C@@H](NC(=O)Nc1cccc(OC(F)(F)F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182840399 822376530 /nfs/dbraw/zinc/37/65/30/822376530.db2.gz ZWCJQNMQOVFVSV-ZIAGYGMSSA-N 1 0 385.430 4.360 20 0 GIADRO Cc1nccn1-c1ccc(C[NH2+][C@H](C)c2cc(Br)ccc2F)cn1 ZINC000178412824 822376961 /nfs/dbraw/zinc/37/69/61/822376961.db2.gz QBNLBXSNNZTTAH-GFCCVEGCSA-N 1 0 389.272 4.328 20 0 GIADRO C[C@H](NC(=O)NC(C)(C)c1ccc(F)c(F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182847645 822377914 /nfs/dbraw/zinc/37/79/14/822377914.db2.gz TURWMVOWFIAKCQ-LSDHHAIUSA-N 1 0 379.495 4.152 20 0 GIADRO CC(C)(C)Sc1cc(C(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)ccn1 ZINC000182848728 822378175 /nfs/dbraw/zinc/37/81/75/822378175.db2.gz CYTVDIHCXUJFRL-UHFFFAOYSA-N 1 0 399.560 4.181 20 0 GIADRO O=C(Nc1ccc(OC(F)F)c(Cl)c1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000178430274 822378408 /nfs/dbraw/zinc/37/84/08/822378408.db2.gz PMTADHMGVTXNDB-BLLLJJGKSA-N 1 0 399.869 4.422 20 0 GIADRO COc1cccc([C@H](CNC(=O)Nc2c(F)cc(Cl)cc2F)[NH+](C)C)c1 ZINC000182857071 822380124 /nfs/dbraw/zinc/38/01/24/822380124.db2.gz YVZXKKJWMLHLRG-INIZCTEOSA-N 1 0 383.826 4.051 20 0 GIADRO C[C@@H](NC(=O)N1CCC(COc2ccccc2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182861095 822381001 /nfs/dbraw/zinc/38/10/01/822381001.db2.gz UGNYHXRYJTVCHE-TZIWHRDSSA-N 1 0 399.579 4.140 20 0 GIADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)C1 ZINC000178462342 822381498 /nfs/dbraw/zinc/38/14/98/822381498.db2.gz HPYRPAANTIURKG-MRXNPFEDSA-N 1 0 397.523 4.104 20 0 GIADRO COc1ccc2cc(CNC(=O)N3CCC([NH+]4CCCCC4)CC3)ccc2c1 ZINC000045379579 822382348 /nfs/dbraw/zinc/38/23/48/822382348.db2.gz SVGSICQJCCFEJP-UHFFFAOYSA-N 1 0 381.520 4.008 20 0 GIADRO OCc1ccc(C[N@@H+]2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1 ZINC000182867508 822382436 /nfs/dbraw/zinc/38/24/36/822382436.db2.gz LZXMXFKAYKCZLV-GOSISDBHSA-N 1 0 383.879 4.262 20 0 GIADRO CC[C@H]([NH2+][C@H](C)c1ccc(OC)c(NC(C)=O)c1)c1ccc2c(c1)OCCO2 ZINC000178480211 822383628 /nfs/dbraw/zinc/38/36/28/822383628.db2.gz ZRSJRYMBTWHRLD-KDOFPFPSSA-N 1 0 384.476 4.227 20 0 GIADRO COc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000178488712 822384653 /nfs/dbraw/zinc/38/46/53/822384653.db2.gz BEWSBYVMZYLHJT-KBPBESRZSA-N 1 0 396.940 4.011 20 0 GIADRO CC(C)(C)c1ccccc1NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000182879321 822384920 /nfs/dbraw/zinc/38/49/20/822384920.db2.gz VHHCSJVBEPHSGZ-FQEVSTJZSA-N 1 0 395.547 4.263 20 0 GIADRO Cc1nn(-c2cc[nH+]cc2)cc1CNc1ccccc1OC[C@@H]1CCCCO1 ZINC000453568054 822385488 /nfs/dbraw/zinc/38/54/88/822385488.db2.gz INZQHGKVXPZBNN-FQEVSTJZSA-N 1 0 378.476 4.136 20 0 GIADRO CN(c1ccc(NC(=O)NC2CC[NH+](C3CC3)CC2)cc1F)C1CCCCC1 ZINC000045409947 822385547 /nfs/dbraw/zinc/38/55/47/822385547.db2.gz ABHAGZYKUQSASP-UHFFFAOYSA-N 1 0 388.531 4.343 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(Cn2cccn2)cc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000178501857 822385618 /nfs/dbraw/zinc/38/56/18/822385618.db2.gz BDZKAPBVWBKQMQ-KRWDZBQOSA-N 1 0 389.503 4.066 20 0 GIADRO Fc1cccc(F)c1-c1n[nH]cc1C[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000453570532 822386001 /nfs/dbraw/zinc/38/60/01/822386001.db2.gz AMEAYHKLOQCMHT-UHFFFAOYSA-N 1 0 395.453 4.419 20 0 GIADRO COc1ccc(NC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c2cccnc12 ZINC000182889312 822386897 /nfs/dbraw/zinc/38/68/97/822386897.db2.gz QJNMEGIOISTVLS-CVEARBPZSA-N 1 0 382.508 4.018 20 0 GIADRO COc1cccc(C[NH+]2CCC3(CC2)OCCc2ccccc23)c1OC(F)F ZINC000453577035 822387109 /nfs/dbraw/zinc/38/71/09/822387109.db2.gz QXGNKRDGCIGCQJ-UHFFFAOYSA-N 1 0 389.442 4.361 20 0 GIADRO C[C@H](Nc1cccc(C(=O)N2CCCCC2)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000182891369 822387208 /nfs/dbraw/zinc/38/72/08/822387208.db2.gz HWPIGKNYJVIIAI-IBGZPJMESA-N 1 0 395.547 4.426 20 0 GIADRO CC[C@H]([NH2+]CCCc1nnc2n1CCCCC2)c1ccc(OC(F)F)cc1 ZINC000178528230 822388345 /nfs/dbraw/zinc/38/83/45/822388345.db2.gz DTMCDHUAPGOJEQ-KRWDZBQOSA-N 1 0 378.467 4.279 20 0 GIADRO CC(C)C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)c1ccccc1 ZINC000453583123 822388417 /nfs/dbraw/zinc/38/84/17/822388417.db2.gz MZNJQYIEIRDORM-VXKWHMMOSA-N 1 0 393.531 4.078 20 0 GIADRO C[C@H](NC(=O)c1c[nH]nc1-c1ccccc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182897996 822388456 /nfs/dbraw/zinc/38/84/56/822388456.db2.gz FDHYSOHQSYOVJK-GJZGRUSLSA-N 1 0 386.927 4.113 20 0 GIADRO C[C@H](NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182899875 822388842 /nfs/dbraw/zinc/38/88/42/822388842.db2.gz ACYHLWFNXMHHRR-QWHCGFSZSA-N 1 0 380.876 4.023 20 0 GIADRO CNC(=O)c1ccc(C[N@H+](C)Cc2cccc(NC(=O)OC(C)(C)C)c2)cc1 ZINC000178533993 822388941 /nfs/dbraw/zinc/38/89/41/822388941.db2.gz AHLNGZKAJITZPQ-UHFFFAOYSA-N 1 0 383.492 4.025 20 0 GIADRO Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000178536560 822389161 /nfs/dbraw/zinc/38/91/61/822389161.db2.gz NIUHGDQJUHLUFL-NVXWUHKLSA-N 1 0 389.952 4.328 20 0 GIADRO Cc1ccc([C@@H](N[C@@H]2CCCS(=O)(=O)C2)c2ccc(F)cc2Cl)cc1 ZINC000182905786 822389858 /nfs/dbraw/zinc/38/98/58/822389858.db2.gz AMRIFGKQKJBEOI-VQIMIIECSA-N 1 0 381.900 4.044 20 0 GIADRO CC(C)OCc1c2ccccc2oc1C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000045495875 822390710 /nfs/dbraw/zinc/39/07/10/822390710.db2.gz SURQZSRUBHIXDA-SFHVURJKSA-N 1 0 386.517 4.452 20 0 GIADRO Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@](O)(c2ccccc2)C(F)(F)F)c1C ZINC000178553588 822391391 /nfs/dbraw/zinc/39/13/91/822391391.db2.gz YPUXFIVNOPTWAG-FOIQADDNSA-N 1 0 394.437 4.060 20 0 GIADRO CCOC(=O)/C=C/c1ccc(NC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000182911049 822391408 /nfs/dbraw/zinc/39/14/08/822391408.db2.gz NRMNXXXZBRQNOU-WBBLPQCNSA-N 1 0 399.535 4.037 20 0 GIADRO C[C@@H](O)c1ccc(C[NH2+][C@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000178555033 822391561 /nfs/dbraw/zinc/39/15/61/822391561.db2.gz MMRDUPBTFNVPDI-ZIAGYGMSSA-N 1 0 396.409 4.145 20 0 GIADRO CCOc1ccc(OCC)c(NC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000182914918 822391787 /nfs/dbraw/zinc/39/17/87/822391787.db2.gz QBDMYRKGVCFWFC-IRXDYDNUSA-N 1 0 389.540 4.259 20 0 GIADRO CC(C)Oc1cccc(CN(C)C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000182916940 822392262 /nfs/dbraw/zinc/39/22/62/822392262.db2.gz UWODIVLCIVKFFL-ICSRJNTNSA-N 1 0 387.568 4.268 20 0 GIADRO C/C(=C/c1ccccc1C(F)(F)F)C[NH2+][C@@H](C)C(=O)Nc1cccnc1C ZINC000453611217 822392807 /nfs/dbraw/zinc/39/28/07/822392807.db2.gz LRRLLDZOJLYBKF-HVCHUGMYSA-N 1 0 377.410 4.429 20 0 GIADRO C[C@@H](NC(=O)N(C)Cc1nc2ccccc2s1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182924499 822393709 /nfs/dbraw/zinc/39/37/09/822393709.db2.gz ZVAYHUVHBRVLHN-HZPDHXFCSA-N 1 0 386.565 4.091 20 0 GIADRO Cc1cc(C)n(-c2cccc(NC(=O)N[C@@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)c2)n1 ZINC000182926046 822394108 /nfs/dbraw/zinc/39/41/08/822394108.db2.gz DGUWRVZSLIIRKX-RBUKOAKNSA-N 1 0 395.551 4.264 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)N[C@H]1CCSc2ccc(F)cc21)c1ccsc1 ZINC000045541313 822394787 /nfs/dbraw/zinc/39/47/87/822394787.db2.gz JVRAOYRYCRUGCX-JKSUJKDBSA-N 1 0 379.526 4.026 20 0 GIADRO C[C@@H](NC(=O)N(Cc1ccccc1)CC(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182934669 822395715 /nfs/dbraw/zinc/39/57/15/822395715.db2.gz CDHDWKDSCBLHOK-SJLPKXTDSA-N 1 0 379.495 4.116 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(CN2CCO[C@H](C)C2)c1)c1ccc2ccccc2n1 ZINC000178617078 822396428 /nfs/dbraw/zinc/39/64/28/822396428.db2.gz LUIPDTGTBVQTRP-MOPGFXCFSA-N 1 0 375.516 4.306 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1)c1ccc2ccccc2n1 ZINC000178615364 822396571 /nfs/dbraw/zinc/39/65/71/822396571.db2.gz HVFMHCDWUFERHQ-KSFYIVLOSA-N 1 0 375.472 4.203 20 0 GIADRO Cc1nc(C)c([C@H](C)[NH2+]C[C@H](O)COc2cccc(Cl)c2Cl)s1 ZINC000178640649 822398625 /nfs/dbraw/zinc/39/86/25/822398625.db2.gz PZBIYIVWOVOMTB-CABZTGNLSA-N 1 0 375.321 4.157 20 0 GIADRO OCC[C@@H](C[NH2+][C@H]1CCCOc2ccc(Br)cc21)c1ccccc1 ZINC000178644648 822399078 /nfs/dbraw/zinc/39/90/78/822399078.db2.gz RVTZZFLTSBDMQW-LPHOPBHVSA-N 1 0 390.321 4.419 20 0 GIADRO Cc1c([C@@H](C)[NH2+]C[C@@H](CCO)c2ccccc2)nnn1-c1cccc(Cl)c1 ZINC000178644030 822399097 /nfs/dbraw/zinc/39/90/97/822399097.db2.gz KTGDEQUYEHNQJN-CRAIPNDOSA-N 1 0 384.911 4.046 20 0 GIADRO Cc1c([C@H](C)[NH2+]C[C@H](CCO)c2ccccc2)nnn1-c1cccc(Cl)c1 ZINC000178644068 822399184 /nfs/dbraw/zinc/39/91/84/822399184.db2.gz KTGDEQUYEHNQJN-YJBOKZPZSA-N 1 0 384.911 4.046 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]C[C@@H](O)COCc1ccccc1 ZINC000178654320 822400069 /nfs/dbraw/zinc/40/00/69/822400069.db2.gz MKCBNKUOWWGPRI-OXJNMPFZSA-N 1 0 382.529 4.347 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H](C)Oc1cccc(C(C)C)c1 ZINC000045614724 822400393 /nfs/dbraw/zinc/40/03/93/822400393.db2.gz QIKTZUXETTVEHD-LJQANCHMSA-N 1 0 395.547 4.276 20 0 GIADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)/C=C/c2ccc(Cl)s2)CC1 ZINC000178671951 822401550 /nfs/dbraw/zinc/40/15/50/822401550.db2.gz ZSSGLGVXYNLTFW-KQIUPUNMSA-N 1 0 375.925 4.152 20 0 GIADRO CN(Cc1ccccc1C(F)(F)F)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000045639853 822401992 /nfs/dbraw/zinc/40/19/92/822401992.db2.gz DGUZTZRNBZLLMD-UHFFFAOYSA-N 1 0 379.426 4.109 20 0 GIADRO Cc1cc(Cl)c(NC(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)cc1C ZINC000453709017 822402982 /nfs/dbraw/zinc/40/29/82/822402982.db2.gz NBULOJWXBGFHFH-UHFFFAOYSA-N 1 0 399.922 4.172 20 0 GIADRO COc1cc(Br)cc(C)c1NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000178688594 822403179 /nfs/dbraw/zinc/40/31/79/822403179.db2.gz CUBNTNMAECFFTQ-UHFFFAOYSA-N 1 0 398.345 4.008 20 0 GIADRO COc1ccc([C@H](NC(=O)NC[C@H](c2ccsc2)[NH+](C)C)C(C)C)cc1 ZINC000045659382 822403354 /nfs/dbraw/zinc/40/33/54/822403354.db2.gz QRWCRDVZXYDPGW-RTBURBONSA-N 1 0 375.538 4.056 20 0 GIADRO Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc(Br)cc3)CC2)nc(C)n1 ZINC000178694820 822403397 /nfs/dbraw/zinc/40/33/97/822403397.db2.gz MMULAHFXPCSUTG-AWEZNQCLSA-N 1 0 389.341 4.176 20 0 GIADRO COCCC[C@H]([NH2+]C[C@H](C)Cn1ccnc1C)c1ccc(Br)cc1 ZINC000178699681 822403827 /nfs/dbraw/zinc/40/38/27/822403827.db2.gz ODDURQIXGAQDLJ-KXBFYZLASA-N 1 0 394.357 4.348 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+][C@@H](c2ccccc2)c2ccncc2)cc1 ZINC000178704132 822404208 /nfs/dbraw/zinc/40/42/08/822404208.db2.gz ZNDNBCLULCTYID-VGSWGCGISA-N 1 0 395.528 4.283 20 0 GIADRO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(C(=O)N3CCCC3)cc2)c(OC)c1 ZINC000045681486 822405159 /nfs/dbraw/zinc/40/51/59/822405159.db2.gz SEIXZQQJSDHMBP-JOCHJYFZSA-N 1 0 394.515 4.277 20 0 GIADRO CC[C@@H](C)NC(=O)CC[NH2+][C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000178716838 822405318 /nfs/dbraw/zinc/40/53/18/822405318.db2.gz NLYHGSOXVHNSCE-KGLIPLIRSA-N 1 0 375.538 4.083 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2sc(-c3ccc(F)c(F)c3)nc2C)[C@H](C)C1 ZINC000182987572 822405778 /nfs/dbraw/zinc/40/57/78/822405778.db2.gz QBDQLWNUBAMHIM-PXAZEXFGSA-N 1 0 393.503 4.199 20 0 GIADRO FC(F)Sc1ccc(NC(=S)NCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000045694041 822405805 /nfs/dbraw/zinc/40/58/05/822405805.db2.gz UGHZCNGEHMQNGV-UHFFFAOYSA-N 1 0 393.528 4.346 20 0 GIADRO O=C(NC[C@H]1CCC[NH2+]1)c1oc2ccccc2c1CSc1ccc(F)cc1 ZINC000178730781 822406110 /nfs/dbraw/zinc/40/61/10/822406110.db2.gz SRXQWHNPLIYEIU-OAHLLOKOSA-N 1 0 384.476 4.346 20 0 GIADRO O=C(NC[C@@H]1CCC[NH2+]1)c1oc2ccccc2c1CSc1ccc(F)cc1 ZINC000178730771 822406137 /nfs/dbraw/zinc/40/61/37/822406137.db2.gz SRXQWHNPLIYEIU-HNNXBMFYSA-N 1 0 384.476 4.346 20 0 GIADRO C[NH+](C)[C@@H](CNC(=S)Nc1ccc(OC(F)(F)F)cc1)c1ccsc1 ZINC000045710431 822407086 /nfs/dbraw/zinc/40/70/86/822407086.db2.gz IPPTVYRUTXFTDM-AWEZNQCLSA-N 1 0 389.468 4.236 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H](C)c2cccc(NC(C)=O)c2)c1 ZINC000045719916 822407911 /nfs/dbraw/zinc/40/79/11/822407911.db2.gz QFPMABXNGDOZKX-KRWDZBQOSA-N 1 0 396.535 4.047 20 0 GIADRO Cc1ccc(Oc2ccc(Cl)cc2NC(=O)C[N@H+](C)C[C@H]2CCOC2)cc1 ZINC000178764651 822408056 /nfs/dbraw/zinc/40/80/56/822408056.db2.gz UJTJYCKDSZZEPQ-MRXNPFEDSA-N 1 0 388.895 4.348 20 0 GIADRO Cc1c([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2C)cnn1-c1ccc(F)cc1 ZINC000182999998 822408693 /nfs/dbraw/zinc/40/86/93/822408693.db2.gz HQPOXQWKBZBMTR-HZPDHXFCSA-N 1 0 380.467 4.306 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cc(F)ccc2C)cnn1-c1ccc(F)cc1 ZINC000183002658 822409224 /nfs/dbraw/zinc/40/92/24/822409224.db2.gz BZLNYYCWKGBRDT-GJZGRUSLSA-N 1 0 398.457 4.445 20 0 GIADRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)cc1 ZINC000183003282 822409392 /nfs/dbraw/zinc/40/93/92/822409392.db2.gz YVIJNNAIYWBERM-LSDHHAIUSA-N 1 0 396.466 4.006 20 0 GIADRO CCN(CCc1ccccc1)C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000045756842 822410784 /nfs/dbraw/zinc/41/07/84/822410784.db2.gz RRZIRLTWMORUNK-UHFFFAOYSA-N 1 0 379.548 4.234 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1C[C@H](C)C[C@H]1c1cccnc1 ZINC000183010913 822410851 /nfs/dbraw/zinc/41/08/51/822410851.db2.gz HWMFCNXYQDOSDA-GCJKJVERSA-N 1 0 380.536 4.215 20 0 GIADRO Cc1nn(C)cc1[C@@H](C)[NH2+][C@H](C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000178802174 822411785 /nfs/dbraw/zinc/41/17/85/822411785.db2.gz ZZDNKEOYNJDEBI-RKVPGOIHSA-N 1 0 375.488 4.227 20 0 GIADRO Cc1cc([C@H]2CCCN2C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)on1 ZINC000045777484 822412612 /nfs/dbraw/zinc/41/26/12/822412612.db2.gz CKJMLOAJUNDDEP-OAQYLSRUSA-N 1 0 396.535 4.262 20 0 GIADRO COc1ccc(CN(C)C(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000045786627 822413496 /nfs/dbraw/zinc/41/34/96/822413496.db2.gz MZWBIBUFQHOZBV-LJQANCHMSA-N 1 0 395.547 4.269 20 0 GIADRO Cc1cc([C@H]2CCCN2C(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)on1 ZINC000045788595 822413675 /nfs/dbraw/zinc/41/36/75/822413675.db2.gz SMRXNHIPVNTFII-LAUBAEHRSA-N 1 0 396.535 4.262 20 0 GIADRO C[C@@H]([NH3+])C1CCN(C(=O)[C@H](Sc2cc(F)ccc2F)c2ccccc2)CC1 ZINC000178827714 822414529 /nfs/dbraw/zinc/41/45/29/822414529.db2.gz IKJILOFUYNRGOS-JLTOFOAXSA-N 1 0 390.499 4.384 20 0 GIADRO C[NH+](C)CCOc1ccc(CNC(=O)Nc2ccccc2SC(F)F)cc1 ZINC000045803598 822414883 /nfs/dbraw/zinc/41/48/83/822414883.db2.gz GNKSGWFHNILKRB-UHFFFAOYSA-N 1 0 395.475 4.263 20 0 GIADRO C[C@@H]([NH3+])C1CCN(C(=O)c2cc(-c3ccc(F)cc3)nc3ccccc32)CC1 ZINC000178837052 822415218 /nfs/dbraw/zinc/41/52/18/822415218.db2.gz NCDJUHCBENBGCY-OAHLLOKOSA-N 1 0 377.463 4.240 20 0 GIADRO CC(C)c1ccccc1NC(=O)[C@H](C)[NH2+]Cc1ccccc1CN1CCCC1=O ZINC000045812274 822415339 /nfs/dbraw/zinc/41/53/39/822415339.db2.gz LUXLLTKPJOXKQT-SFHVURJKSA-N 1 0 393.531 4.049 20 0 GIADRO CSc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1 ZINC000045813168 822415567 /nfs/dbraw/zinc/41/55/67/822415567.db2.gz FIFZCVRZRPOFIQ-GJZGRUSLSA-N 1 0 397.544 4.435 20 0 GIADRO CC(C)[NH+]1CCC(C(=O)N2CCC[C@H](COc3ccccc3Cl)C2)CC1 ZINC000178840759 822415655 /nfs/dbraw/zinc/41/56/55/822415655.db2.gz OIDSBNKEXFXPIY-KRWDZBQOSA-N 1 0 378.944 4.078 20 0 GIADRO C[NH+](C)CCOc1cccc(CNC(=O)Nc2ccccc2SC(F)F)c1 ZINC000045815125 822415871 /nfs/dbraw/zinc/41/58/71/822415871.db2.gz OOWJAFAXTACUOP-UHFFFAOYSA-N 1 0 395.475 4.263 20 0 GIADRO NC(=O)COc1cccc(C[NH2+][C@@H]2CCCc3cc(SC(F)F)ccc32)c1 ZINC000183042683 822416480 /nfs/dbraw/zinc/41/64/80/822416480.db2.gz XPBGNENFFHTWJE-GOSISDBHSA-N 1 0 392.471 4.033 20 0 GIADRO C[C@H]([NH3+])C1CCN(C(=O)c2ccc(-c3ccc(OC(F)F)cc3)s2)CC1 ZINC000178851221 822416486 /nfs/dbraw/zinc/41/64/86/822416486.db2.gz DJPOKKGTFVFWNB-LBPRGKRZSA-N 1 0 380.460 4.216 20 0 GIADRO CC1CC[NH+]([C@@H](CNC(=O)CCc2nc3ccccc3[nH]2)c2cccs2)CC1 ZINC000045820175 822416625 /nfs/dbraw/zinc/41/66/25/822416625.db2.gz LMYNSYZWOAAWDS-IBGZPJMESA-N 1 0 396.560 4.146 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1cccc(OCc2cscn2)c1 ZINC000183044020 822416711 /nfs/dbraw/zinc/41/67/11/822416711.db2.gz HMHGRQHASKWXMV-VGSWGCGISA-N 1 0 394.544 4.440 20 0 GIADRO C[C@@H]([NH3+])C1CCN(C(=O)c2cc3sc(Nc4ccccc4)nc3s2)CC1 ZINC000178867633 822417677 /nfs/dbraw/zinc/41/76/77/822417677.db2.gz RUOLLYDDZGQOJY-GFCCVEGCSA-N 1 0 386.546 4.301 20 0 GIADRO CC[C@@H]1C[C@H](C(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)CCO1 ZINC000183058323 822418568 /nfs/dbraw/zinc/41/85/68/822418568.db2.gz LIUFLZYXWLOEFA-IFMALSPDSA-N 1 0 380.532 4.237 20 0 GIADRO Cc1cc(Cl)c(NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)cc1Cl ZINC000178882432 822418796 /nfs/dbraw/zinc/41/87/96/822418796.db2.gz RGYPQPJWLKEIAU-UHFFFAOYSA-N 1 0 393.318 4.483 20 0 GIADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCC[C@@H]2c2cccc(F)c2)CC1 ZINC000178887242 822419224 /nfs/dbraw/zinc/41/92/24/822419224.db2.gz NCHGTHQIMMVZRO-VGOFRKELSA-N 1 0 396.510 4.293 20 0 GIADRO NC(=O)c1cccc(CC[NH2+]Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 ZINC000178895649 822419835 /nfs/dbraw/zinc/41/98/35/822419835.db2.gz IYUMEGPZAAHDTR-UHFFFAOYSA-N 1 0 390.327 4.155 20 0 GIADRO Cc1cccc(C(C)C)c1NC(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000453978518 822420700 /nfs/dbraw/zinc/42/07/00/822420700.db2.gz JBXDLZOVHFYCRS-HXUWFJFHSA-N 1 0 379.504 4.245 20 0 GIADRO CCSCc1ccc(NC(=O)C(=O)Nc2cccc(C[NH+](CC)CC)c2)cc1 ZINC000453978215 822420715 /nfs/dbraw/zinc/42/07/15/822420715.db2.gz TYXNUVYVZKPMFA-UHFFFAOYSA-N 1 0 399.560 4.359 20 0 GIADRO COc1cc(-c2ccccc2)ccc1CNC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000183078013 822421596 /nfs/dbraw/zinc/42/15/96/822421596.db2.gz VCOLROSABUQDHO-RPWUZVMVSA-N 1 0 394.559 4.220 20 0 GIADRO COc1ccc2c(c1)[C@H](Nc1cccc(C[NH+]3CCC(CO)CC3)c1)CCCO2 ZINC000183081839 822422257 /nfs/dbraw/zinc/42/22/57/822422257.db2.gz WGLDLBXDZWTKJA-HSZRJFAPSA-N 1 0 396.531 4.225 20 0 GIADRO Cc1c(NC(=O)NC2CC[NH+](CC3CCCC3)CC2)cnn1-c1ccccc1F ZINC000178991582 822427148 /nfs/dbraw/zinc/42/71/48/822427148.db2.gz BERMNANHFSCRNH-UHFFFAOYSA-N 1 0 399.514 4.096 20 0 GIADRO COC1CCC([NH2+]CC2(c3cccc(Br)c3)CCOCC2)CC1 ZINC000183137493 822429329 /nfs/dbraw/zinc/42/93/29/822429329.db2.gz FGGOUQSQIXPADE-UHFFFAOYSA-N 1 0 382.342 4.045 20 0 GIADRO CCc1cccc(CC)c1NC(=O)C[NH2+][C@@H](C)c1ccccc1-n1cccn1 ZINC000183138542 822429518 /nfs/dbraw/zinc/42/95/18/822429518.db2.gz OEAJEMAYYHHPRZ-KRWDZBQOSA-N 1 0 376.504 4.286 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)[NH2+]CC(=O)N[C@@H](c2ccccc2)C2CC2)cc1 ZINC000183138872 822429611 /nfs/dbraw/zinc/42/96/11/822429611.db2.gz YXECMROFVGEKGO-XDHUDOTRSA-N 1 0 388.515 4.099 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(C)cc1Br)c1ccco1 ZINC000179013868 822430170 /nfs/dbraw/zinc/43/01/70/822430170.db2.gz PZNMKFFWRZWYLK-MRXNPFEDSA-N 1 0 379.298 4.163 20 0 GIADRO Cc1cc(CSc2ccccc2C(=O)NCC[C@@H](C)[NH+]2CCCCC2)on1 ZINC000183142374 822430266 /nfs/dbraw/zinc/43/02/66/822430266.db2.gz UUSUWIXGMYOTGI-QGZVFWFLSA-N 1 0 387.549 4.270 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2F)cc1 ZINC000183144276 822430521 /nfs/dbraw/zinc/43/05/21/822430521.db2.gz UHXUPYWSTFCYRF-ZDUSSCGKSA-N 1 0 386.858 4.263 20 0 GIADRO Cc1cccc([C@@H](C)NC(=O)C(=O)Nc2cccc3c2C[N@H+]([C@@H](C)C(C)C)C3)c1 ZINC000454113143 822430633 /nfs/dbraw/zinc/43/06/33/822430633.db2.gz XMZDSPDFAJZNFQ-MSOLQXFVSA-N 1 0 393.531 4.171 20 0 GIADRO Cc1cccc(C(=O)N[C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c1Cl ZINC000179029606 822431320 /nfs/dbraw/zinc/43/13/20/822431320.db2.gz VMTVBWBKQXPGFK-OAHLLOKOSA-N 1 0 389.902 4.030 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cc(F)ccc2C)cc1 ZINC000183151142 822431895 /nfs/dbraw/zinc/43/18/95/822431895.db2.gz PTJUADOHUVJSKY-CVEARBPZSA-N 1 0 380.467 4.306 20 0 GIADRO CC(=O)c1ccc(Oc2ccc(C(=O)N3CCC[C@@H]3C[NH+]3CCCC3)cc2)cc1 ZINC000179038624 822432286 /nfs/dbraw/zinc/43/22/86/822432286.db2.gz JVAKRROHGPHLLD-OAQYLSRUSA-N 1 0 392.499 4.382 20 0 GIADRO COC[C@H]([NH2+]CCc1coc(-c2ccc(F)cc2)n1)c1ccc(F)c(F)c1 ZINC000183155658 822432665 /nfs/dbraw/zinc/43/26/65/822432665.db2.gz SLPOCFUKHNYRHB-IBGZPJMESA-N 1 0 376.378 4.279 20 0 GIADRO COc1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000179061592 822434508 /nfs/dbraw/zinc/43/45/08/822434508.db2.gz DSUFFRRGZOGONM-OAHLLOKOSA-N 1 0 393.314 4.140 20 0 GIADRO CC[C@H]1c2ccsc2CCN1C(=O)C[NH2+][C@H](C)c1ccccc1-n1cccn1 ZINC000183168383 822434804 /nfs/dbraw/zinc/43/48/04/822434804.db2.gz MHDDUHPVWMPXAU-APWZRJJASA-N 1 0 394.544 4.120 20 0 GIADRO CC1(C)CCc2ccccc2[C@H]1NC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000179072184 822435477 /nfs/dbraw/zinc/43/54/77/822435477.db2.gz PWTWFVAKFUIUAT-JOCHJYFZSA-N 1 0 392.547 4.059 20 0 GIADRO CCC(C)(C)c1ccc(CNC(=O)NC2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000179071923 822435528 /nfs/dbraw/zinc/43/55/28/822435528.db2.gz HMCCBGGJFCPYJN-UHFFFAOYSA-N 1 0 394.563 4.233 20 0 GIADRO C[S@@](=O)C[C@@H]([NH2+]Cc1cccc(NC(=O)OC(C)(C)C)c1)c1ccccc1 ZINC000183176081 822436081 /nfs/dbraw/zinc/43/60/81/822436081.db2.gz CFQPEKQXAZSEQT-XHCCPWGMSA-N 1 0 388.533 4.243 20 0 GIADRO Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCCc1nc(-c2ccc(F)cc2)no1 ZINC000183177703 822436297 /nfs/dbraw/zinc/43/62/97/822436297.db2.gz HZKBZWNPASXYDW-MRXNPFEDSA-N 1 0 396.466 4.124 20 0 GIADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)Nc1ccccc1COC ZINC000046032958 822437365 /nfs/dbraw/zinc/43/73/65/822437365.db2.gz YVIRLGXYBJMBBT-UHFFFAOYSA-N 1 0 375.538 4.270 20 0 GIADRO CC1(C)[C@H](Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)[C@H]2CCCO[C@@H]21 ZINC000183187301 822437904 /nfs/dbraw/zinc/43/79/04/822437904.db2.gz WJCNGMDSQWFRFD-FCEUIQTBSA-N 1 0 385.552 4.117 20 0 GIADRO COc1cc(C(=O)NC2CC[NH+](CC(C)C)CC2)cc(Cl)c1OCC(C)C ZINC000046050062 822438236 /nfs/dbraw/zinc/43/82/36/822438236.db2.gz PMBLUMCXLVJMEW-UHFFFAOYSA-N 1 0 396.959 4.234 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000046049723 822438280 /nfs/dbraw/zinc/43/82/80/822438280.db2.gz CKGBHIMKWZVZQV-UHFFFAOYSA-N 1 0 375.513 4.108 20 0 GIADRO Cc1noc(C)c1C[N@H+](C)C[C@H](O)CO[C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000046060711 822438515 /nfs/dbraw/zinc/43/85/15/822438515.db2.gz VVHLBFROWYQSBH-UPVQGACJSA-N 1 0 394.515 4.199 20 0 GIADRO COc1ccccc1SC[C@@H](C)C[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000183191702 822438945 /nfs/dbraw/zinc/43/89/45/822438945.db2.gz UQQBADKRCTXLKZ-AWEZNQCLSA-N 1 0 376.488 4.040 20 0 GIADRO O=C(c1nc2cc(Cl)ccc2s1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000454208245 822439149 /nfs/dbraw/zinc/43/91/49/822439149.db2.gz LWMXWDOSPGZNPP-WBMJQRKESA-N 1 0 375.925 4.039 20 0 GIADRO C[C@@H]([NH2+]C[C@H](O)COc1cccc(Cl)c1Cl)c1ccc(Cl)nc1 ZINC000179113166 822439541 /nfs/dbraw/zinc/43/95/41/822439541.db2.gz AHBSPAVALRGLEY-PWSUYJOCSA-N 1 0 375.683 4.132 20 0 GIADRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)N2CCC(CF)CC2)cc1 ZINC000454232099 822441514 /nfs/dbraw/zinc/44/15/14/822441514.db2.gz VBTVUDBQPUKTES-UHFFFAOYSA-N 1 0 383.511 4.306 20 0 GIADRO CO[C@H]([C@@H](C)NC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1)C1CC1 ZINC000454232888 822441749 /nfs/dbraw/zinc/44/17/49/822441749.db2.gz WLPUYRWVYFDVDI-UZUQRXQVSA-N 1 0 395.547 4.028 20 0 GIADRO CSCC1CCC(NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000454241358 822442510 /nfs/dbraw/zinc/44/25/10/822442510.db2.gz BQZYPQBPYGKUAW-UHFFFAOYSA-N 1 0 375.582 4.003 20 0 GIADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N(C)Cc3ccccc3O)cc2)C1 ZINC000046123581 822442522 /nfs/dbraw/zinc/44/25/22/822442522.db2.gz XFTYOPAYEBCXDZ-KDURUIRLSA-N 1 0 395.547 4.212 20 0 GIADRO Cc1noc(C)c1CN(C)C(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000046123886 822442695 /nfs/dbraw/zinc/44/26/95/822442695.db2.gz FHLGEXOWKAANTL-CALCHBBNSA-N 1 0 398.551 4.111 20 0 GIADRO CCc1ccc(Cl)c(CC)c1NC(=O)CCC[N@@H+]1CCC[C@@H]1CC(=O)OC ZINC000179144673 822443110 /nfs/dbraw/zinc/44/31/10/822443110.db2.gz QAVIVJJNQFXYIS-MRXNPFEDSA-N 1 0 394.943 4.211 20 0 GIADRO Cc1noc(C)c1CN(C)C(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000046129823 822443135 /nfs/dbraw/zinc/44/31/35/822443135.db2.gz JGXYJGVLDGRCLY-IAGOWNOFSA-N 1 0 398.551 4.111 20 0 GIADRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)c1nc2cc(Cl)ccc2s1 ZINC000454248703 822443283 /nfs/dbraw/zinc/44/32/83/822443283.db2.gz VTNXFFKKJIAPAR-UHFFFAOYSA-N 1 0 377.897 4.137 20 0 GIADRO CNC(=O)C(C)(C)C[NH2+][C@@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21 ZINC000183219248 822443437 /nfs/dbraw/zinc/44/34/37/822443437.db2.gz RECVNRKANMWBBK-CQSZACIVSA-N 1 0 377.941 4.203 20 0 GIADRO CN(C(=O)Nc1nc(C(C)(C)C)cs1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000454256870 822444468 /nfs/dbraw/zinc/44/44/68/822444468.db2.gz XWZTXEWQAAYGIQ-UHFFFAOYSA-N 1 0 392.491 4.321 20 0 GIADRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000183227276 822444483 /nfs/dbraw/zinc/44/44/83/822444483.db2.gz KPHYPCAHAXKYBW-MFOVYWPASA-N 1 0 389.511 4.382 20 0 GIADRO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)N1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000454264615 822446052 /nfs/dbraw/zinc/44/60/52/822446052.db2.gz LRRUEKMQKDLFNV-JZXOWHBKSA-N 1 0 397.485 4.412 20 0 GIADRO Cc1ccccc1[C@@H](CC(C)C)[NH2+]CC(=O)Nc1cccc(C(=O)N(C)C)c1 ZINC000183243465 822447516 /nfs/dbraw/zinc/44/75/16/822447516.db2.gz INOMQOVHPSVNMT-OAQYLSRUSA-N 1 0 381.520 4.012 20 0 GIADRO C[C@@H](NC(=O)NCc1ccnc(N2CCCCC2)c1)c1ccc(F)cc1Cl ZINC000454274680 822448182 /nfs/dbraw/zinc/44/81/82/822448182.db2.gz JVACVGYJRDVOFB-CQSZACIVSA-N 1 0 390.890 4.425 20 0 GIADRO O=C(Nc1nc(CN2CCCCC2)cs1)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000454276464 822448561 /nfs/dbraw/zinc/44/85/61/822448561.db2.gz UDAQWNQTCQNCSZ-KRWDZBQOSA-N 1 0 386.521 4.481 20 0 GIADRO CCO[C@@H]1CCN(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)C[C@H]1C ZINC000454276074 822448593 /nfs/dbraw/zinc/44/85/93/822448593.db2.gz XHLYYRCERRRQMN-WOIUINJBSA-N 1 0 387.568 4.018 20 0 GIADRO Cc1cc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c2ccc(F)cc2n1 ZINC000046195984 822448849 /nfs/dbraw/zinc/44/88/49/822448849.db2.gz FSBJPUUCWKYMBR-UHFFFAOYSA-N 1 0 377.463 4.077 20 0 GIADRO Cc1cc(C(=O)Nc2ccc(OCC[NH3+])cc2)c(C)n1[C@H](C)c1ccccc1 ZINC000183254863 822448950 /nfs/dbraw/zinc/44/89/50/822448950.db2.gz KRBVGHCHULJFPN-QGZVFWFLSA-N 1 0 377.488 4.304 20 0 GIADRO O=C(c1cc(-c2ccccn2)ccc1Cl)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000179191394 822449137 /nfs/dbraw/zinc/44/91/37/822449137.db2.gz IBIAODITYHQDFD-JTSKRJEESA-N 1 0 395.934 4.491 20 0 GIADRO COc1cccc([C@@H]2[C@@H](NC(=O)[C@@H](C)c3ccccc3F)CC[N@@H+]2C2CC2)c1 ZINC000183261475 822450023 /nfs/dbraw/zinc/45/00/23/822450023.db2.gz VMNOMBZXZOMQLD-UZQPLGKSSA-N 1 0 382.479 4.032 20 0 GIADRO C[N@@H+]1CC[C@H](NC(=O)NCc2csc(-c3ccccc3)n2)[C@@H]1c1ccccc1 ZINC000179202047 822450225 /nfs/dbraw/zinc/45/02/25/822450225.db2.gz NXWXKBGRZVMGMP-PMACEKPBSA-N 1 0 392.528 4.055 20 0 GIADRO O=C(c1ccccc1)N1CCC([NH2+][C@H]2CCc3c2cccc3Br)CC1 ZINC000179203439 822450282 /nfs/dbraw/zinc/45/02/82/822450282.db2.gz PVHGPRBCYHYQDE-FQEVSTJZSA-N 1 0 399.332 4.331 20 0 GIADRO CC(C)c1csc(NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)n1 ZINC000454287770 822451701 /nfs/dbraw/zinc/45/17/01/822451701.db2.gz GVUVYDZRFJSHQF-UHFFFAOYSA-N 1 0 378.464 4.147 20 0 GIADRO C[C@H]([NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1)c1ncc(Br)s1 ZINC000179212032 822451769 /nfs/dbraw/zinc/45/17/69/822451769.db2.gz JWBIRLWHIHWLBX-NWDGAFQWSA-N 1 0 384.318 4.222 20 0 GIADRO C[C@@H]([NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1)c1ncc(Br)s1 ZINC000179212023 822451813 /nfs/dbraw/zinc/45/18/13/822451813.db2.gz JWBIRLWHIHWLBX-NEPJUHHUSA-N 1 0 384.318 4.222 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1 ZINC000454291579 822452533 /nfs/dbraw/zinc/45/25/33/822452533.db2.gz KFFSTKCDHANBOD-UHFFFAOYSA-N 1 0 396.507 4.254 20 0 GIADRO COc1cccc([C@@H]2[C@H](NC(=O)/C=C/SCc3ccco3)CC[N@@H+]2C2CC2)c1 ZINC000183277017 822452659 /nfs/dbraw/zinc/45/26/59/822452659.db2.gz BSZROMOGMHFGNK-ZIBAAHCBSA-N 1 0 398.528 4.129 20 0 GIADRO COc1cccc([C@H](C[NH2+][C@H](c2ccccc2)c2ccc(F)cn2)N(C)C)c1 ZINC000183281133 822452970 /nfs/dbraw/zinc/45/29/70/822452970.db2.gz LHPKFZLVFFQADU-XZOQPEGZSA-N 1 0 379.479 4.211 20 0 GIADRO COc1cc(OC)cc(N2CC[C@@H](C[NH2+][C@@H](C)c3cccc(F)c3F)C2)c1 ZINC000183281261 822453015 /nfs/dbraw/zinc/45/30/15/822453015.db2.gz GCLUJZNDUPMINO-GJZGRUSLSA-N 1 0 376.447 4.159 20 0 GIADRO CC1(C)CN(C(=O)Nc2cccnc2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000454297872 822453901 /nfs/dbraw/zinc/45/39/01/822453901.db2.gz OCUAQWWXSIFKGF-NRFANRHFSA-N 1 0 378.520 4.236 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000454298386 822453911 /nfs/dbraw/zinc/45/39/11/822453911.db2.gz JDNHWLDGPFIMNQ-NRFANRHFSA-N 1 0 397.494 4.320 20 0 GIADRO CCOc1ccc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)cc1OC ZINC000454299283 822454137 /nfs/dbraw/zinc/45/41/37/822454137.db2.gz ZRUMRSDQJVDHHD-GOSISDBHSA-N 1 0 397.519 4.080 20 0 GIADRO COc1ccc([C@@H](C[NH2+][C@@H](c2ccco2)c2ccccc2)N2CCOCC2)cc1 ZINC000183293945 822454456 /nfs/dbraw/zinc/45/44/56/822454456.db2.gz HVCVZBMFIXIIHH-ISKFKSNPSA-N 1 0 392.499 4.041 20 0 GIADRO C[C@H](NCC[C@H](C)[N@H+](C)Cc1ccccc1)c1ncc(Br)s1 ZINC000179236622 822455557 /nfs/dbraw/zinc/45/55/57/822455557.db2.gz WWOZPSUZJFFYML-KBPBESRZSA-N 1 0 382.371 4.467 20 0 GIADRO C[C@H]([NH2+][C@H]1CCN(c2cccc(Cl)c2)C1)c1ncc(Br)s1 ZINC000179237744 822455856 /nfs/dbraw/zinc/45/58/56/822455856.db2.gz CCBHRROGDGLHIP-JQWIXIFHSA-N 1 0 386.746 4.489 20 0 GIADRO COc1ccc([C@H](CCO)[NH2+][C@@H](C)c2cc(Br)ccc2F)cc1 ZINC000179249619 822457099 /nfs/dbraw/zinc/45/70/99/822457099.db2.gz JAMMGMHKBYLMSV-SGTLLEGYSA-N 1 0 382.273 4.371 20 0 GIADRO O=C(N[C@H]1CC[C@@H](c2cccc(Cl)c2)C1)NC1CC[NH+](CC2CC2)CC1 ZINC000454316369 822457180 /nfs/dbraw/zinc/45/71/80/822457180.db2.gz ZNROKQGPAOOKKM-XLIONFOSSA-N 1 0 375.944 4.150 20 0 GIADRO C[C@H]([NH2+]CCOc1c(Cl)cc(Br)cc1Cl)c1nccn1C ZINC000183330672 822459798 /nfs/dbraw/zinc/45/97/98/822459798.db2.gz QZOHIIGCPMRRKD-VIFPVBQESA-N 1 0 393.112 4.219 20 0 GIADRO COCCCC[NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C(C)C ZINC000179286940 822461055 /nfs/dbraw/zinc/46/10/55/822461055.db2.gz FVGVVDLNFKLWEM-UHFFFAOYSA-N 1 0 380.330 4.274 20 0 GIADRO CCc1noc(C)c1CNC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000454361573 822461905 /nfs/dbraw/zinc/46/19/05/822461905.db2.gz KXKSOFKYYOTUCJ-UHFFFAOYSA-N 1 0 398.551 4.309 20 0 GIADRO COCc1ccccc1C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000046332265 822462083 /nfs/dbraw/zinc/46/20/83/822462083.db2.gz YPYZTFJIEINBPX-UHFFFAOYSA-N 1 0 388.511 4.492 20 0 GIADRO CO[C@H]1CCN(C(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)C[C@H]1C ZINC000454364349 822462529 /nfs/dbraw/zinc/46/25/29/822462529.db2.gz MRKGKCVCRBEMHF-GCJKJVERSA-N 1 0 387.568 4.018 20 0 GIADRO COc1cc(OC)c(NC(=O)C[NH2+][C@@H](C)[C@@H](C)c2ccccc2)cc1Cl ZINC000183356944 822463079 /nfs/dbraw/zinc/46/30/79/822463079.db2.gz RLDIMUXAAWIHQJ-KGLIPLIRSA-N 1 0 376.884 4.078 20 0 GIADRO COC(=O)COc1ccccc1[C@H](C)[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000183358424 822463304 /nfs/dbraw/zinc/46/33/04/822463304.db2.gz XAEMHCNVSLHPQJ-KGLIPLIRSA-N 1 0 379.403 4.252 20 0 GIADRO C[C@H](NC(=O)c1ccccc1NCc1cccnc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183361845 822463812 /nfs/dbraw/zinc/46/38/12/822463812.db2.gz BCEXVFHXOUDVSX-AZUAARDMSA-N 1 0 392.547 4.077 20 0 GIADRO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)NCCC1CC[NH+](C)CC1 ZINC000183364481 822464018 /nfs/dbraw/zinc/46/40/18/822464018.db2.gz DHDFRWAAZFHSIF-UHFFFAOYSA-N 1 0 395.425 4.131 20 0 GIADRO C[NH+](C)CCOc1ccc(CN[C@H](c2ccccc2)c2ccc(F)cn2)cc1 ZINC000183368667 822464549 /nfs/dbraw/zinc/46/45/49/822464549.db2.gz ICJKTADLDRVFBT-HSZRJFAPSA-N 1 0 379.479 4.040 20 0 GIADRO C[C@@H](C[C@@H](O)c1ccco1)NC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000179324290 822466112 /nfs/dbraw/zinc/46/61/12/822466112.db2.gz BLSSKKNWAAIUTH-PGRDOPGGSA-N 1 0 392.499 4.154 20 0 GIADRO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)[NH2+][C@H](C)c1cccnc1 ZINC000183384565 822466882 /nfs/dbraw/zinc/46/68/82/822466882.db2.gz MDEVKLVYTMPWAG-GXTWGEPZSA-N 1 0 389.521 4.005 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)c2cc(-c3cccnc3)nc3ccccc32)c1 ZINC000046379186 822467335 /nfs/dbraw/zinc/46/73/35/822467335.db2.gz GJQRKCOSZTXPNN-UHFFFAOYSA-N 1 0 396.494 4.288 20 0 GIADRO Cc1ccc(Br)c(NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)c1 ZINC000179352695 822469845 /nfs/dbraw/zinc/46/98/45/822469845.db2.gz DAFWANYZOWOZMX-UHFFFAOYSA-N 1 0 380.330 4.240 20 0 GIADRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)NC[C@H]1CCCCC1(F)F ZINC000454406641 822470404 /nfs/dbraw/zinc/47/04/04/822470404.db2.gz HTELTWSQYWBYEP-MRXNPFEDSA-N 1 0 385.524 4.085 20 0 GIADRO Cc1cnc(NC(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)s1 ZINC000179363701 822471826 /nfs/dbraw/zinc/47/18/26/822471826.db2.gz ZZIYMRNZWNRQMG-SWLSCSKDSA-N 1 0 382.892 4.059 20 0 GIADRO CC(C)c1cnc(C[NH2+]C[C@@H](c2ccccc2Cl)N2CCOCC2)s1 ZINC000183424234 822472637 /nfs/dbraw/zinc/47/26/37/822472637.db2.gz OSQNNWFXLHZQNP-KRWDZBQOSA-N 1 0 379.957 4.083 20 0 GIADRO CCCn1nc(C)c(C[NH+]2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)c1C ZINC000179387809 822475253 /nfs/dbraw/zinc/47/52/53/822475253.db2.gz CSHGIGFZVPXFPV-HNNXBMFYSA-N 1 0 378.561 4.035 20 0 GIADRO C[C@H](NC(=O)OC(C)(C)C)C1CC[NH+](Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000179388113 822475281 /nfs/dbraw/zinc/47/52/81/822475281.db2.gz QQQONIMXJSUCKO-INIZCTEOSA-N 1 0 384.524 4.202 20 0 GIADRO CCCn1nc(C)c(C[NH+]2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)c1C ZINC000179387801 822475286 /nfs/dbraw/zinc/47/52/86/822475286.db2.gz CSHGIGFZVPXFPV-OAHLLOKOSA-N 1 0 378.561 4.035 20 0 GIADRO CC(C)Oc1ccc(NC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(F)c1 ZINC000183448540 822476527 /nfs/dbraw/zinc/47/65/27/822476527.db2.gz MTXQQFRUOVIOFQ-JKSUJKDBSA-N 1 0 377.504 4.387 20 0 GIADRO COc1cc(-c2ccccc2)ccc1C[N@@H+]1CCC[C@@H]([C@@H](O)c2nccn2C)C1 ZINC000183449341 822476600 /nfs/dbraw/zinc/47/66/00/822476600.db2.gz NWAZBEQAQJDWFH-FYYLOGMGSA-N 1 0 391.515 4.041 20 0 GIADRO C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+]Cc1cccc2cnccc21 ZINC000183457679 822477969 /nfs/dbraw/zinc/47/79/69/822477969.db2.gz ACSCFVDVUIFBIJ-GOSISDBHSA-N 1 0 388.515 4.342 20 0 GIADRO CN(C)S(=O)(=O)c1ccc(C[NH2+][C@H](c2cccs2)C2CCCC2)cc1 ZINC000179404673 822478025 /nfs/dbraw/zinc/47/80/25/822478025.db2.gz OFLILROLKLFGIM-IBGZPJMESA-N 1 0 378.563 4.020 20 0 GIADRO C[NH+](C)C1CCN(C(=O)c2ccc(-c3ccc(Br)s3)s2)CC1 ZINC000183459921 822478354 /nfs/dbraw/zinc/47/83/54/822478354.db2.gz UEGHNEPHUWXTFT-UHFFFAOYSA-N 1 0 399.379 4.405 20 0 GIADRO O[C@H](c1ccc(F)cc1)C1CC[NH+](Cc2cnn(Cc3ccccc3)c2)CC1 ZINC000179426962 822480848 /nfs/dbraw/zinc/48/08/48/822480848.db2.gz WNROGZFEDQONBE-HSZRJFAPSA-N 1 0 379.479 4.016 20 0 GIADRO CC(C)(C[NH+]1CCCC1)NC(=O)Nc1ccccc1COCc1ccccc1 ZINC000454478957 822481791 /nfs/dbraw/zinc/48/17/91/822481791.db2.gz MAJYWQIZXAVHGY-UHFFFAOYSA-N 1 0 381.520 4.399 20 0 GIADRO C[C@H]([NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1)c1nc2c(s1)CCCC2 ZINC000179435818 822482270 /nfs/dbraw/zinc/48/22/70/822482270.db2.gz URDQPSXDMZBGCY-INIZCTEOSA-N 1 0 384.593 4.408 20 0 GIADRO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3cc(F)c(OC(C)(C)C)c(F)c3)CC[C@H]21 ZINC000183479583 822482366 /nfs/dbraw/zinc/48/23/66/822482366.db2.gz KDZXPPGHGMBLOH-SUMWQHHRSA-N 1 0 381.467 4.090 20 0 GIADRO Cc1nn(C)c(C)c1CCC[NH2+][C@H](c1ccc(Br)cc1)C1CC1 ZINC000183486078 822483742 /nfs/dbraw/zinc/48/37/42/822483742.db2.gz OWOLXPKMVAESCB-IBGZPJMESA-N 1 0 376.342 4.473 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)c1nccs1 ZINC000179448670 822484687 /nfs/dbraw/zinc/48/46/87/822484687.db2.gz XPBIFTXXIRNECU-GXSJLCMTSA-N 1 0 376.835 4.140 20 0 GIADRO C[C@H]([NH2+]CCc1coc(-c2ccc(F)cc2)n1)c1cccc(N2CCOC2=O)c1 ZINC000179453434 822485152 /nfs/dbraw/zinc/48/51/52/822485152.db2.gz UGNDLNJYIIAHOQ-HNNXBMFYSA-N 1 0 395.434 4.331 20 0 GIADRO CC[C@@H](C)[NH+]1CCN(C(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)CC1 ZINC000454499491 822485530 /nfs/dbraw/zinc/48/55/30/822485530.db2.gz FNVGBYMBFQWINE-GOSISDBHSA-N 1 0 383.540 4.003 20 0 GIADRO COCC[C@H](Cc1cccc(F)c1)[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000179456560 822485794 /nfs/dbraw/zinc/48/57/94/822485794.db2.gz SUFULEPBBLPPNE-HXUWFJFHSA-N 1 0 386.442 4.400 20 0 GIADRO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(-c3nccs3)cc2)[C@@H]1c1ccccc1 ZINC000179463253 822486397 /nfs/dbraw/zinc/48/63/97/822486397.db2.gz SGFXYDXNYNFYDV-OALUTQOASA-N 1 0 378.501 4.377 20 0 GIADRO C[C@H](NC(=O)Nc1ccc(F)cc1OC(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183499820 822486491 /nfs/dbraw/zinc/48/64/91/822486491.db2.gz GZTJDKBUBZGNFH-QWHCGFSZSA-N 1 0 385.430 4.202 20 0 GIADRO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccccc2N2CCCCC2)[C@@H]1c1ccccc1 ZINC000179470742 822487506 /nfs/dbraw/zinc/48/75/06/822487506.db2.gz MEISIARJMCYICE-IRLDBZIGSA-N 1 0 378.520 4.244 20 0 GIADRO COc1cc(F)c([C@H](C)[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)cc1OC ZINC000183512985 822488325 /nfs/dbraw/zinc/48/83/25/822488325.db2.gz BRMXUDCVLQAJCK-LSDHHAIUSA-N 1 0 396.503 4.283 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+]C[C@@H](C)c1nc(-c3ccccc3)no1)CCCO2 ZINC000179479302 822488694 /nfs/dbraw/zinc/48/86/94/822488694.db2.gz FEKJPVJTWLWGMV-DNVCBOLYSA-N 1 0 379.460 4.352 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N(C)Cc2c(F)cccc2F)CC1 ZINC000454521646 822490837 /nfs/dbraw/zinc/49/08/37/822490837.db2.gz QDOQDKOMGCIRGU-INIZCTEOSA-N 1 0 387.474 4.332 20 0 GIADRO COC(=O)COc1ccccc1[C@H](C)[NH2+]Cc1ccc(Oc2ccccc2)nc1 ZINC000183532021 822490977 /nfs/dbraw/zinc/49/09/77/822490977.db2.gz LTQXVGIMRSEIFK-KRWDZBQOSA-N 1 0 392.455 4.277 20 0 GIADRO CC(C)[C@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(F)c(F)c1 ZINC000179497251 822491175 /nfs/dbraw/zinc/49/11/75/822491175.db2.gz DEYWEQNLWHEEIU-XOBRGWDASA-N 1 0 396.503 4.263 20 0 GIADRO C[N@H+](CCCCNC(=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1)C1CC1 ZINC000454524115 822491165 /nfs/dbraw/zinc/49/11/65/822491165.db2.gz PNESNIYZWPTPHC-UHFFFAOYSA-N 1 0 398.482 4.074 20 0 GIADRO C[C@@H]([NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(Br)cc1 ZINC000179497466 822491337 /nfs/dbraw/zinc/49/13/37/822491337.db2.gz BGPHSXVUWZUWHH-NVXWUHKLSA-N 1 0 387.321 4.148 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(COc2ccccc2)cc1 ZINC000179497569 822491363 /nfs/dbraw/zinc/49/13/63/822491363.db2.gz AJXUSCBWFVWOHR-RTWAWAEBSA-N 1 0 379.504 4.356 20 0 GIADRO FC(F)(F)COc1ccc(C[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)cc1 ZINC000179498872 822491869 /nfs/dbraw/zinc/49/18/69/822491869.db2.gz LXHZLUMSHFPQHW-OAHLLOKOSA-N 1 0 380.414 4.003 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@@H]2CCCN(c3ccccc3F)C2)cc(OC)c1OC ZINC000179500591 822492134 /nfs/dbraw/zinc/49/21/34/822492134.db2.gz RTQUXHFUMOIPIV-DOTOQJQBSA-N 1 0 388.483 4.171 20 0 GIADRO Cc1cc(NC(=O)NCC[C@H](C)[NH+]2CCCCC2)ccc1NC(=O)c1ccco1 ZINC000183541921 822492412 /nfs/dbraw/zinc/49/24/12/822492412.db2.gz XRGVBKCEBLLUMO-KRWDZBQOSA-N 1 0 398.507 4.226 20 0 GIADRO COc1cccc(N2CC[C@H](C[NH2+][C@@H](c3ccccc3)c3ccc(F)cn3)C2)c1 ZINC000183544356 822492633 /nfs/dbraw/zinc/49/26/33/822492633.db2.gz GPBJGEVBNZKCNN-KOSHJBKYSA-N 1 0 391.490 4.435 20 0 GIADRO C[C@H]([NH2+][C@H]1c2ccccc2CC[C@@H]1C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000179505569 822492768 /nfs/dbraw/zinc/49/27/68/822492768.db2.gz MEGKFDBTNLKJJV-PNLZDCPESA-N 1 0 384.545 4.201 20 0 GIADRO CCN(CC)C(=O)c1cccc(NC(=O)C[NH2+]C2(c3ccccc3)CCCC2)c1 ZINC000183545384 822492836 /nfs/dbraw/zinc/49/28/36/822492836.db2.gz HJCSXQVTYTZNGE-UHFFFAOYSA-N 1 0 393.531 4.166 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)Nc1ccc(OC(F)F)c2ncccc12 ZINC000454538207 822493454 /nfs/dbraw/zinc/49/34/54/822493454.db2.gz ATPHCUKODQRQJF-UHFFFAOYSA-N 1 0 380.439 4.078 20 0 GIADRO O=C(C[NH2+]C1(c2ccccc2)CCCC1)N[C@H](c1nccs1)c1ccccc1 ZINC000183550182 822493613 /nfs/dbraw/zinc/49/36/13/822493613.db2.gz QIMZZZJQPVVZIA-NRFANRHFSA-N 1 0 391.540 4.408 20 0 GIADRO COc1ccccc1OC[C@@H](C)C[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000179513198 822494098 /nfs/dbraw/zinc/49/40/98/822494098.db2.gz LMXLIWGTTSXNAP-IRXDYDNUSA-N 1 0 397.519 4.345 20 0 GIADRO c1ccc(Oc2cccnc2)c(C[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c1 ZINC000179513098 822494151 /nfs/dbraw/zinc/49/41/51/822494151.db2.gz KAVJUHAPTZLUOU-GOSISDBHSA-N 1 0 375.476 4.249 20 0 GIADRO CCc1sc(C(=O)NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)cc1C ZINC000046623604 822494443 /nfs/dbraw/zinc/49/44/43/822494443.db2.gz TUNFDXGRZJJVIU-IAGOWNOFSA-N 1 0 386.561 4.158 20 0 GIADRO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000179515266 822494577 /nfs/dbraw/zinc/49/45/77/822494577.db2.gz BOAURKIFUUJYJR-UTKZUKDTSA-N 1 0 389.499 4.211 20 0 GIADRO C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+][C@H]1CCc2c1ccc(Cl)c2Cl ZINC000179517762 822495557 /nfs/dbraw/zinc/49/55/57/822495557.db2.gz JGFGUIGTPKBYDH-SGTLLEGYSA-N 1 0 388.298 4.369 20 0 GIADRO C[C@@H]([NH2+]Cc1cccnc1OCC(F)F)c1cccc(OC(F)(F)F)c1 ZINC000179522346 822496559 /nfs/dbraw/zinc/49/65/59/822496559.db2.gz FTJRTCNVNJWVDT-LLVKDONJSA-N 1 0 376.325 4.475 20 0 GIADRO CCn1nc(C)c(NC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1C ZINC000179522960 822496605 /nfs/dbraw/zinc/49/66/05/822496605.db2.gz WUFZBCJRRJFVMN-UZLBHIALSA-N 1 0 383.540 4.037 20 0 GIADRO CC(C)Oc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2OC(F)F)cc1 ZINC000179526288 822497159 /nfs/dbraw/zinc/49/71/59/822497159.db2.gz KLFGGDLZSJISNQ-CQSZACIVSA-N 1 0 378.419 4.365 20 0 GIADRO CC(C)(CNC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)c1ccccn1 ZINC000454561939 822497248 /nfs/dbraw/zinc/49/72/48/822497248.db2.gz XIWZYYIGBVXWSB-UHFFFAOYSA-N 1 0 380.536 4.209 20 0 GIADRO CCC[C@@H]1C[C@@H](C(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)CCO1 ZINC000183580251 822497395 /nfs/dbraw/zinc/49/73/95/822497395.db2.gz KGEBYRSWERVMOU-PKOBYXMFSA-N 1 0 376.566 4.078 20 0 GIADRO CC[C@H]1c2ccsc2CCN1C(=O)C[NH2+][C@@H](C)c1cccc(-n2cccn2)c1 ZINC000183597901 822499392 /nfs/dbraw/zinc/49/93/92/822499392.db2.gz HWWDNPPSCUTDRT-JXFKEZNVSA-N 1 0 394.544 4.120 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1cccc(Cl)c1Cl)c1cccc(-n2cccn2)c1 ZINC000183600413 822499793 /nfs/dbraw/zinc/49/97/93/822499793.db2.gz SFPCFGAYSRSLTN-ZDUSSCGKSA-N 1 0 389.286 4.468 20 0 GIADRO CCn1nc(C)c(NC(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)c1C ZINC000179540122 822499809 /nfs/dbraw/zinc/49/98/09/822499809.db2.gz FBPBICZNFVFTEW-UHFFFAOYSA-N 1 0 383.540 4.073 20 0 GIADRO Cc1cc(Sc2ccccc2)ccc1NC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000454577944 822500068 /nfs/dbraw/zinc/50/00/68/822500068.db2.gz LZOKPWOXYZULOZ-GOSISDBHSA-N 1 0 399.560 4.115 20 0 GIADRO Cc1cc(Sc2ncccn2)ccc1NC(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000183602957 822500143 /nfs/dbraw/zinc/50/01/43/822500143.db2.gz RBPNMOQNQPPTGZ-KRWDZBQOSA-N 1 0 399.564 4.322 20 0 GIADRO CCn1nc(C)c(NC(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCCC2)c1C ZINC000179544246 822500475 /nfs/dbraw/zinc/50/04/75/822500475.db2.gz JRCIJCZOXCLONS-MRXNPFEDSA-N 1 0 383.540 4.305 20 0 GIADRO Cc1nc(C)c([C@H](C)[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)s1 ZINC000179555109 822502873 /nfs/dbraw/zinc/50/28/73/822502873.db2.gz GCRPZOMWFFRKAB-DOPJRALCSA-N 1 0 379.957 4.136 20 0 GIADRO Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000183627915 822503182 /nfs/dbraw/zinc/50/31/82/822503182.db2.gz DOANYAGITHRKHX-DNVCBOLYSA-N 1 0 383.540 4.002 20 0 GIADRO Cc1ccc(C(=O)CC(C)(C)CC(=O)N2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000183627323 822503202 /nfs/dbraw/zinc/50/32/02/822503202.db2.gz JOUVZWPOVJILEH-UHFFFAOYSA-N 1 0 384.564 4.319 20 0 GIADRO Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000183627869 822503268 /nfs/dbraw/zinc/50/32/68/822503268.db2.gz DOANYAGITHRKHX-KXBFYZLASA-N 1 0 383.540 4.002 20 0 GIADRO Cc1cc(Oc2ncccn2)ccc1NC(=O)N[C@@H](CC(C)C)C[NH+]1CCCC1 ZINC000454599179 822503965 /nfs/dbraw/zinc/50/39/65/822503965.db2.gz ULHNTVJMUTXIIL-SFHVURJKSA-N 1 0 397.523 4.209 20 0 GIADRO CC[C@H](NC(=O)N1CCC([NH+]2CCCCC2)CC1)c1ccccc1OC(F)F ZINC000046683810 822504587 /nfs/dbraw/zinc/50/45/87/822504587.db2.gz QQZLIQMRQDWAQZ-SFHVURJKSA-N 1 0 395.494 4.399 20 0 GIADRO C[NH+](C)CCCOC1CCN(C(=O)N[C@@H](CC2CCC2)c2ccccc2)CC1 ZINC000183642865 822505330 /nfs/dbraw/zinc/50/53/30/822505330.db2.gz CNGUTGFULKYNKD-QFIPXVFZSA-N 1 0 387.568 4.060 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@@H]1CCCCC1(F)F ZINC000454610403 822505731 /nfs/dbraw/zinc/50/57/31/822505731.db2.gz JEAIQQIODFVAFH-NZSAHSFTSA-N 1 0 379.495 4.022 20 0 GIADRO CC[C@H](C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C)c1ccc(OC)cc1 ZINC000179584705 822507001 /nfs/dbraw/zinc/50/70/01/822507001.db2.gz KODJZGNARLKMCG-QFIPXVFZSA-N 1 0 395.547 4.278 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)C[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000179584747 822507013 /nfs/dbraw/zinc/50/70/13/822507013.db2.gz SWYFTZZFOFTTMO-LLVKDONJSA-N 1 0 384.810 4.239 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@@H]1CSc2ccccc21 ZINC000454619260 822507556 /nfs/dbraw/zinc/50/75/56/822507556.db2.gz NZJSBOVJZLKDOL-QFUCXCTJSA-N 1 0 395.572 4.086 20 0 GIADRO Cc1ccc(Oc2ccccc2NC(=O)C[NH2+][C@@H](CO)c2ccccc2)cc1 ZINC000183663111 822507718 /nfs/dbraw/zinc/50/77/18/822507718.db2.gz PKPATXGTDUDHMY-NRFANRHFSA-N 1 0 376.456 4.049 20 0 GIADRO CCOc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000179593517 822508959 /nfs/dbraw/zinc/50/89/59/822508959.db2.gz COMQWKZCZRVITL-KGLIPLIRSA-N 1 0 378.419 4.365 20 0 GIADRO COc1ccc([C@H]2CCCN2C(=O)C[NH2+]C(C)(C)c2cccc(C)c2)cc1OC ZINC000179597823 822509847 /nfs/dbraw/zinc/50/98/47/822509847.db2.gz PEVQVMQLPKZEBJ-HXUWFJFHSA-N 1 0 396.531 4.201 20 0 GIADRO COc1ccc(NC(=O)C[NH2+][C@H](c2ccccc2Cl)C(C)C)c(OC)c1 ZINC000183690745 822512077 /nfs/dbraw/zinc/51/20/77/822512077.db2.gz GXOXERFMXUKBOX-FQEVSTJZSA-N 1 0 376.884 4.283 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000046751162 822512845 /nfs/dbraw/zinc/51/28/45/822512845.db2.gz WKEWBKOVHQWNLY-MRXNPFEDSA-N 1 0 386.515 4.029 20 0 GIADRO O=C(C[C@H](O)c1ccc(Cl)cc1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000179619278 822514023 /nfs/dbraw/zinc/51/40/23/822514023.db2.gz DTQYXASQWSAVNB-NRFANRHFSA-N 1 0 386.923 4.066 20 0 GIADRO C[C@H](CCNC(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1)[NH+]1CCCCC1 ZINC000183703201 822514084 /nfs/dbraw/zinc/51/40/84/822514084.db2.gz FZCTWEUCFLQQGF-XGCWNURASA-N 1 0 393.597 4.120 20 0 GIADRO CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@H](c2ccccc2Cl)C(C)C)cc1 ZINC000183703778 822514274 /nfs/dbraw/zinc/51/42/74/822514274.db2.gz BWJUQUKTDGBRJM-UTKZUKDTSA-N 1 0 390.911 4.025 20 0 GIADRO CCN(CC)C(=O)CCC[NH2+][C@H](c1ccco1)c1ccc(Br)cc1 ZINC000183706467 822514713 /nfs/dbraw/zinc/51/47/13/822514713.db2.gz OAWTWYDJPCIPOJ-IBGZPJMESA-N 1 0 393.325 4.370 20 0 GIADRO CC[C@@](C)(COc1ncccc1Cl)[NH2+]Cc1cc(F)cc2c1OCOC2 ZINC000179625154 822514974 /nfs/dbraw/zinc/51/49/74/822514974.db2.gz BJMGPHXHKJBNGM-IBGZPJMESA-N 1 0 380.847 4.078 20 0 GIADRO O=C(NCCCCC[NH+]1CCCC1)NCCc1nc2cc(Cl)ccc2s1 ZINC000454670760 822515021 /nfs/dbraw/zinc/51/50/21/822515021.db2.gz WZBQNPPMONGLFC-UHFFFAOYSA-N 1 0 394.972 4.058 20 0 GIADRO O[C@@H](C[NH2+]CC1CCC(C(F)(F)F)CC1)c1cc(Cl)c2c(c1)OCCO2 ZINC000183716980 822515962 /nfs/dbraw/zinc/51/59/62/822515962.db2.gz RMBQBOABPRBHFC-HGMXIMQMSA-N 1 0 393.833 4.103 20 0 GIADRO COc1cc(C)c([C@@H](C)[NH2+]CC(=O)Nc2ccccc2C(F)(F)F)cc1OC ZINC000179630791 822516278 /nfs/dbraw/zinc/51/62/78/822516278.db2.gz JUQANQIBLUMALJ-CYBMUJFWSA-N 1 0 396.409 4.320 20 0 GIADRO CCc1noc(C2CCC([NH2+]CCCc3cn(-c4ccccc4)nc3C)CC2)n1 ZINC000183720048 822516450 /nfs/dbraw/zinc/51/64/50/822516450.db2.gz MLQVLVWAEDOMRH-UHFFFAOYSA-N 1 0 393.535 4.375 20 0 GIADRO COc1cc(OC)cc(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)c1 ZINC000046781314 822516828 /nfs/dbraw/zinc/51/68/28/822516828.db2.gz JNMFNORFIOIEKH-QGZVFWFLSA-N 1 0 382.504 4.008 20 0 GIADRO COc1cc(C)c([C@H](C)[NH2+]CC(=O)N(C)Cc2ccc(Cl)s2)cc1OC ZINC000179635151 822516967 /nfs/dbraw/zinc/51/69/67/822516967.db2.gz AZNLRRCIOJFLQF-ZDUSSCGKSA-N 1 0 396.940 4.036 20 0 GIADRO Cc1ccc([C@H]2OCCC[C@H]2C[NH2+]Cc2cncc(Br)c2)cc1 ZINC000183723920 822517098 /nfs/dbraw/zinc/51/70/98/822517098.db2.gz ADPDPKDZUYXXAO-PKOBYXMFSA-N 1 0 375.310 4.410 20 0 GIADRO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000183725518 822517281 /nfs/dbraw/zinc/51/72/81/822517281.db2.gz SPCYBJWUJBFKRY-ABAIWWIYSA-N 1 0 393.409 4.024 20 0 GIADRO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NCC3CCC(C(F)(F)F)CC3)cc2)C1 ZINC000183743067 822520630 /nfs/dbraw/zinc/52/06/30/822520630.db2.gz QGOCEZWVKSFTHU-NXYGQSRBSA-N 1 0 397.485 4.165 20 0 GIADRO CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H](C)c2ccccc2OCC(=O)OC)c1 ZINC000183744031 822520888 /nfs/dbraw/zinc/52/08/88/822520888.db2.gz RELIQPRBRKLIGC-IRXDYDNUSA-N 1 0 398.503 4.074 20 0 GIADRO COc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000046817595 822520954 /nfs/dbraw/zinc/52/09/54/822520954.db2.gz LQNBPKBIMXDKQI-STQMWFEESA-N 1 0 382.382 4.272 20 0 GIADRO CN1CC[C@@H]([NH2+]Cc2cncc(Br)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000183754342 822522665 /nfs/dbraw/zinc/52/26/65/822522665.db2.gz GKGSPSMQCKWTOW-SJORKVTESA-N 1 0 398.707 4.172 20 0 GIADRO CC(C)Oc1cccc([C@@H](C)[NH2+]CC(=O)N(C)c2nc3ccccc3s2)c1 ZINC000179664204 822522815 /nfs/dbraw/zinc/52/28/15/822522815.db2.gz KSXUFIFRIMRBLK-OAHLLOKOSA-N 1 0 383.517 4.397 20 0 GIADRO COc1ccc([C@@H](Cc2ccccc2C)[NH2+]CCCn2ccnc2)cc1OC ZINC000179668718 822523585 /nfs/dbraw/zinc/52/35/85/822523585.db2.gz XMEDDWDUVSMOCC-OAQYLSRUSA-N 1 0 379.504 4.172 20 0 GIADRO CC(C)Oc1cccc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2OC(F)F)c1 ZINC000179670217 822523609 /nfs/dbraw/zinc/52/36/09/822523609.db2.gz XWMWNJKRYFXLQK-CQSZACIVSA-N 1 0 378.419 4.365 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)NCc2ccnc(OCc3ccccc3)c2)o1 ZINC000046851218 822524548 /nfs/dbraw/zinc/52/45/48/822524548.db2.gz GPKPGJUSGSRWHY-UHFFFAOYSA-N 1 0 393.487 4.025 20 0 GIADRO COc1cccc([C@@H]2[C@H](NC(=O)Nc3c(F)cccc3F)CC[N@@H+]2C2CC2)c1 ZINC000183767918 822525492 /nfs/dbraw/zinc/52/54/92/822525492.db2.gz BGNPWFRJCIZUEK-UYAOXDASSA-N 1 0 387.430 4.073 20 0 GIADRO C[N@@H+]1CC[C@H](CNC(=O)NCCCC(C)(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000454741503 822526323 /nfs/dbraw/zinc/52/63/23/822526323.db2.gz SXFYBLJYPSDSHD-CZUORRHYSA-N 1 0 391.865 4.207 20 0 GIADRO Cc1ccc(NCc2ccc(OCC(F)F)cc2)cc1NC(=O)CC[NH+](C)C ZINC000183774354 822526580 /nfs/dbraw/zinc/52/65/80/822526580.db2.gz YOPIBBLWYQKBEK-UHFFFAOYSA-N 1 0 391.462 4.141 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1cc(F)ccc1F)c1cccc(OCc2ccccn2)c1 ZINC000179688925 822528047 /nfs/dbraw/zinc/52/80/47/822528047.db2.gz MVQYXIJUTKZKSN-OAHLLOKOSA-N 1 0 397.425 4.228 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1)c1cccc(OCc2ccccn2)c1 ZINC000179689540 822528107 /nfs/dbraw/zinc/52/81/07/822528107.db2.gz NNOOBQZHKHBNLZ-OAHLLOKOSA-N 1 0 397.425 4.228 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1F)c1cccc(OCc2ccccn2)c1 ZINC000179690221 822528260 /nfs/dbraw/zinc/52/82/60/822528260.db2.gz DBPXZMRYWWRYTJ-IVZQSRNASA-N 1 0 384.426 4.323 20 0 GIADRO Cn1cc(C[NH2+]CCc2nc(-c3ccccn3)cs2)c(C2CCCCC2)n1 ZINC000183794249 822528859 /nfs/dbraw/zinc/52/88/59/822528859.db2.gz PNZZRTMNQYKMHV-UHFFFAOYSA-N 1 0 381.549 4.319 20 0 GIADRO CCC(CC)n1nc(C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1C ZINC000179693902 822528866 /nfs/dbraw/zinc/52/88/66/822528866.db2.gz RLWXCOBFRQGJDA-HXUWFJFHSA-N 1 0 382.552 4.147 20 0 GIADRO O=C(CC[NH+]1CCCCC1)Nc1cccc(NC(=O)N2CC[C@@H](CC3CC3)C2)c1 ZINC000454759556 822529405 /nfs/dbraw/zinc/52/94/05/822529405.db2.gz MAZOZQZWWMVCKI-IBGZPJMESA-N 1 0 398.551 4.155 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)c1cccc(OCc2ccccn2)c1 ZINC000179696379 822529622 /nfs/dbraw/zinc/52/96/22/822529622.db2.gz JLKMGOAKQAPQHO-SFHVURJKSA-N 1 0 389.499 4.213 20 0 GIADRO Cc1ccc(-c2nnco2)cc1NC(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000454767362 822530380 /nfs/dbraw/zinc/53/03/80/822530380.db2.gz HUHSRJUMIGWNGZ-UHFFFAOYSA-N 1 0 399.539 4.409 20 0 GIADRO C[C@@H]([NH2+][C@H](C)[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1ccc(NC(N)=O)cc1 ZINC000183809337 822530673 /nfs/dbraw/zinc/53/06/73/822530673.db2.gz ZWDOHOBFZHRJEC-RKVPGOIHSA-N 1 0 390.528 4.006 20 0 GIADRO COc1cc([C@H](C)[NH2+]C[C@H](O)c2ccccc2)ccc1OCc1ccncc1 ZINC000179702963 822530855 /nfs/dbraw/zinc/53/08/55/822530855.db2.gz HGVXATNQXLNUEM-UWJYYQICSA-N 1 0 378.472 4.053 20 0 GIADRO C[C@H](NC(=O)N1CC[C@H](C(F)(F)F)C[C@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000454777952 822532200 /nfs/dbraw/zinc/53/22/00/822532200.db2.gz VEJCZFUGIBWNNP-JFRXWTBNSA-N 1 0 397.485 4.269 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)CCc3nc(C(C)(C)C)no3)cc2)C1 ZINC000046935125 822532828 /nfs/dbraw/zinc/53/28/28/822532828.db2.gz OYQSXEWRLPHCDY-MRXNPFEDSA-N 1 0 384.524 4.170 20 0 GIADRO COc1cccc(COCC(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000046935120 822532865 /nfs/dbraw/zinc/53/28/65/822532865.db2.gz QPSPVMRSYYSJMX-SFHVURJKSA-N 1 0 382.504 4.082 20 0 GIADRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3ccc(COC(C)C)cc3)cc2)CC1 ZINC000046939716 822533111 /nfs/dbraw/zinc/53/31/11/822533111.db2.gz YJDKZJNMLVZLAJ-UHFFFAOYSA-N 1 0 395.547 4.001 20 0 GIADRO CNC(=O)C(C)(C)C[NH2+][C@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC000183839221 822534359 /nfs/dbraw/zinc/53/43/59/822534359.db2.gz KPPLACUWIJFNOH-KRWDZBQOSA-N 1 0 393.300 4.039 20 0 GIADRO CC[C@H]([NH2+]Cc1cc(=O)oc2cc(O)ccc12)c1ccccc1OC(F)F ZINC000179718938 822534529 /nfs/dbraw/zinc/53/45/29/822534529.db2.gz RZFSTPXSRXRCAH-INIZCTEOSA-N 1 0 375.371 4.341 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)Nc1cccc(CSC2CCOCC2)c1 ZINC000454794294 822535471 /nfs/dbraw/zinc/53/54/71/822535471.db2.gz CXEYEHXBEXZQJW-UHFFFAOYSA-N 1 0 393.597 4.341 20 0 GIADRO Cc1ccc2c(C[NH2+][C@@H](c3ccc4c(c3)OCCO4)C3CC3)cc(=O)oc2c1C ZINC000179726478 822536180 /nfs/dbraw/zinc/53/61/80/822536180.db2.gz NNGBVXBVQDGLKA-HSZRJFAPSA-N 1 0 391.467 4.422 20 0 GIADRO C[C@H](C(=O)NC1CC[NH+](CC2CCCC2)CC1)c1ccc(Br)cc1 ZINC000179730982 822537040 /nfs/dbraw/zinc/53/70/40/822537040.db2.gz NVVPGKFEWBQXRM-HNNXBMFYSA-N 1 0 393.369 4.323 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCCC[C@@H]1CCSS1 ZINC000047011666 822537535 /nfs/dbraw/zinc/53/75/35/822537535.db2.gz WSSOGFIUBVGZPQ-LJQANCHMSA-N 1 0 391.606 4.163 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(SC(F)F)cc1 ZINC000047011677 822537569 /nfs/dbraw/zinc/53/75/69/822537569.db2.gz LNHVCNGPWHNEGC-UHFFFAOYSA-N 1 0 389.471 4.077 20 0 GIADRO CCOc1ccccc1[C@H](CC)[NH2+][C@H](C)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000179733512 822538011 /nfs/dbraw/zinc/53/80/11/822538011.db2.gz RDEPYCAJRFBSRQ-QRWLVFNGSA-N 1 0 383.492 4.112 20 0 GIADRO Cc1oc(-c2cccs2)nc1CC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000047037810 822538929 /nfs/dbraw/zinc/53/89/29/822538929.db2.gz QHBUPZYSTJUHFA-IYBDPMFKSA-N 1 0 389.565 4.128 20 0 GIADRO CCc1nc2cc(NC(=O)N(C)C3CC[NH+](CCC(F)(F)F)CC3)ccc2o1 ZINC000454819613 822540270 /nfs/dbraw/zinc/54/02/70/822540270.db2.gz VUIRGMRKUKFYBG-UHFFFAOYSA-N 1 0 398.429 4.271 20 0 GIADRO Cc1c([C@H](C)[NH2+]CCC2(C)OCCO2)cnn1-c1ccc(Cl)cc1Cl ZINC000183884287 822540455 /nfs/dbraw/zinc/54/04/55/822540455.db2.gz UHOCHGKSSNOBSE-LBPRGKRZSA-N 1 0 384.307 4.291 20 0 GIADRO C[C@H](c1ccccc1Cl)N(C)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179742324 822540784 /nfs/dbraw/zinc/54/07/84/822540784.db2.gz GAAIZTDRVLDHCH-MRXNPFEDSA-N 1 0 386.927 4.354 20 0 GIADRO CCCc1noc2nc(C3CC3)cc(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)c12 ZINC000047065385 822541806 /nfs/dbraw/zinc/54/18/06/822541806.db2.gz PSGZUZDGWAENKA-UHFFFAOYSA-N 1 0 384.524 4.092 20 0 GIADRO CCc1ccc(CN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C2CC2)cc1 ZINC000179747282 822541801 /nfs/dbraw/zinc/54/18/01/822541801.db2.gz VSIQVMACMDHEKJ-UHFFFAOYSA-N 1 0 392.547 4.235 20 0 GIADRO C[C@@H](c1ccc(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)cc1)C(F)(F)F ZINC000454833350 822542867 /nfs/dbraw/zinc/54/28/67/822542867.db2.gz HMWRQIQWYGWCLP-HNNXBMFYSA-N 1 0 391.437 4.142 20 0 GIADRO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[NH2+][C@@H](CCCO)c1ccccc1 ZINC000179753033 822543134 /nfs/dbraw/zinc/54/31/34/822543134.db2.gz BMNKRTANGCLELJ-PXNSSMCTSA-N 1 0 380.488 4.056 20 0 GIADRO Brc1ccc([C@@H]([NH2+]CCCOC2CCOCC2)c2ccco2)cc1 ZINC000183905085 822543874 /nfs/dbraw/zinc/54/38/74/822543874.db2.gz NOENBGQOCVUIJK-LJQANCHMSA-N 1 0 394.309 4.307 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)NCc2coc(-c3ccccc3)n2)CC1 ZINC000183906247 822543968 /nfs/dbraw/zinc/54/39/68/822543968.db2.gz SHNWQOWSGFIKNK-UHFFFAOYSA-N 1 0 398.551 4.385 20 0 GIADRO CCc1cccc(CC)c1NC(=O)C[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179757002 822544431 /nfs/dbraw/zinc/54/44/31/822544431.db2.gz HIUOCDLZPPFJOU-HSZRJFAPSA-N 1 0 394.515 4.262 20 0 GIADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000047104417 822544779 /nfs/dbraw/zinc/54/47/79/822544779.db2.gz XEPZYXZVIFPUFG-ZWKOTPCHSA-N 1 0 381.442 4.006 20 0 GIADRO CCN(Cc1ccccc1)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000179760495 822545061 /nfs/dbraw/zinc/54/50/61/822545061.db2.gz NZYSVLDFJDLINL-MSOLQXFVSA-N 1 0 393.531 4.123 20 0 GIADRO Clc1ccc(-n2cc(C[NH2+][C@H]3CCOC4(CCCC4)C3)nn2)cc1Cl ZINC000183915909 822545621 /nfs/dbraw/zinc/54/56/21/822545621.db2.gz SLKIOLAMRYGTNM-ZDUSSCGKSA-N 1 0 381.307 4.156 20 0 GIADRO C[N@@H+]1CC[C@@H](CNC(=O)Nc2cc(C(F)(F)F)ccc2SCC(F)F)C1 ZINC000454862791 822547829 /nfs/dbraw/zinc/54/78/29/822547829.db2.gz ZUEADUZBLJEDCP-JTQLQIEISA-N 1 0 397.413 4.136 20 0 GIADRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N[C@H]1CCCC[C@H]1CC(F)(F)F ZINC000454863636 822548111 /nfs/dbraw/zinc/54/81/11/822548111.db2.gz APEWPABSWBPJLE-QYZOEREBSA-N 1 0 397.485 4.319 20 0 GIADRO FC(F)n1c(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)nc2ccccc21 ZINC000179767658 822548189 /nfs/dbraw/zinc/54/81/89/822548189.db2.gz VGDYKIFLXXDQKU-HXUWFJFHSA-N 1 0 385.414 4.444 20 0 GIADRO CC[C@@H](Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)c1ccc(N(C)C)cc1 ZINC000179769676 822549002 /nfs/dbraw/zinc/54/90/02/822549002.db2.gz ZODLLXNHWKUGJT-HSZRJFAPSA-N 1 0 394.563 4.013 20 0 GIADRO C[C@H](NC(=O)C[NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1)c1ccc(Cl)cc1 ZINC000179770296 822549246 /nfs/dbraw/zinc/54/92/46/822549246.db2.gz OFTSKDFHLGWESY-GJZGRUSLSA-N 1 0 399.922 4.217 20 0 GIADRO CC[C@@H]1CN(C(=O)Nc2cc(NC(C)=O)ccc2C)CC[N@@H+]1Cc1ccccc1 ZINC000183931482 822549472 /nfs/dbraw/zinc/54/94/72/822549472.db2.gz YCGSFDWYFISGRC-OAQYLSRUSA-N 1 0 394.519 4.082 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1F)c1ccc(NC(=O)C2CC2)cc1 ZINC000179772273 822549595 /nfs/dbraw/zinc/54/95/95/822549595.db2.gz XIRKFDTVYWRVRC-GFCCVEGCSA-N 1 0 389.858 4.117 20 0 GIADRO CCC[C@@H](NC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C(C)(C)C ZINC000454875321 822549725 /nfs/dbraw/zinc/54/97/25/822549725.db2.gz QYXDRMPDOMUOGF-UYSNPLJNSA-N 1 0 377.495 4.306 20 0 GIADRO Cc1ccc(C[C@@H](Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)C2CC2)cc1 ZINC000179775586 822550452 /nfs/dbraw/zinc/55/04/52/822550452.db2.gz NNUMLWHEMOLKRV-XMMPIXPASA-N 1 0 391.559 4.126 20 0 GIADRO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC2c3ccccc3-c3ccccc32)c1 ZINC000183937942 822550503 /nfs/dbraw/zinc/55/05/03/822550503.db2.gz LTJRRABPHYYBLG-QHCPKHFHSA-N 1 0 383.495 4.318 20 0 GIADRO CC[NH+]1CCN(c2ccccc2N[C@H](C)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000179776873 822550801 /nfs/dbraw/zinc/55/08/01/822550801.db2.gz BHYJAZNUDONSOE-QGZVFWFLSA-N 1 0 399.535 4.027 20 0 GIADRO Cc1sc(NC(=O)C[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)c(C)c1C ZINC000179777967 822550838 /nfs/dbraw/zinc/55/08/38/822550838.db2.gz JMIYDQGVWGWNQK-CQSZACIVSA-N 1 0 385.533 4.311 20 0 GIADRO O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)NC1CC[NH+](C2CCC2)CC1 ZINC000454883587 822550826 /nfs/dbraw/zinc/55/08/26/822550826.db2.gz AZGXRGKBPNXTAC-FUHWJXTLSA-N 1 0 382.335 4.165 20 0 GIADRO c1ccc(COc2ccccc2C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)nc1 ZINC000179778148 822551070 /nfs/dbraw/zinc/55/10/70/822551070.db2.gz IIXLHWCAICVAOV-FQEVSTJZSA-N 1 0 399.498 4.083 20 0 GIADRO CCO[C@H]1C[C@@H](Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)C12CCC2 ZINC000179782214 822551874 /nfs/dbraw/zinc/55/18/74/822551874.db2.gz LJBUHQCAMJTLKC-RTWAWAEBSA-N 1 0 375.532 4.116 20 0 GIADRO O=C(CC1CC[NH+](Cc2c(Cl)cccc2N2CCCC2)CC1)N1CCCC1 ZINC000179782145 822551882 /nfs/dbraw/zinc/55/18/82/822551882.db2.gz YLYPJVKLCJOKLK-UHFFFAOYSA-N 1 0 389.971 4.165 20 0 GIADRO CCO[C@H]1C[C@H](Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)C12CCC2 ZINC000179782187 822551977 /nfs/dbraw/zinc/55/19/77/822551977.db2.gz LJBUHQCAMJTLKC-SFTDATJTSA-N 1 0 375.532 4.116 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)COc1ccc(Oc2ccccn2)cc1 ZINC000047188238 822552523 /nfs/dbraw/zinc/55/25/23/822552523.db2.gz HKDLZQAEXHQLKJ-LJQANCHMSA-N 1 0 397.519 4.024 20 0 GIADRO COc1ccccc1C1(C[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)CCC1 ZINC000183958467 822553802 /nfs/dbraw/zinc/55/38/02/822553802.db2.gz UAGZICLNKXSTTK-KRWDZBQOSA-N 1 0 380.488 4.424 20 0 GIADRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)Nc1ccccc1-c1nncn1C(C)C ZINC000454928382 822558372 /nfs/dbraw/zinc/55/83/72/822558372.db2.gz OPSWIIYTMGJFKJ-SFHVURJKSA-N 1 0 398.555 4.158 20 0 GIADRO CC(C)([NH2+]CC(=O)Nc1cc(F)ccc1F)c1ccc(Br)cc1 ZINC000047258098 822559332 /nfs/dbraw/zinc/55/93/32/822559332.db2.gz FNFOJMIIQNEATM-UHFFFAOYSA-N 1 0 383.236 4.191 20 0 GIADRO O=C(Nc1ccc(Br)cn1)C1CC[NH+](CC2CCCCC2)CC1 ZINC000047262028 822559491 /nfs/dbraw/zinc/55/94/91/822559491.db2.gz IDJXFDCNBAJXJG-UHFFFAOYSA-N 1 0 380.330 4.075 20 0 GIADRO O=C(Nc1ccccn1)[C@H]1CCC[N@@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000047260451 822559515 /nfs/dbraw/zinc/55/95/15/822559515.db2.gz JWCROCHBVDXBAU-INIZCTEOSA-N 1 0 396.878 4.241 20 0 GIADRO CNC(=O)C1CC[NH+](Cc2cc(C)c(OCc3cccc(C)c3)c(C)c2)CC1 ZINC000179823130 822560240 /nfs/dbraw/zinc/56/02/40/822560240.db2.gz YVMVCLGOUJFQEL-UHFFFAOYSA-N 1 0 380.532 4.149 20 0 GIADRO C[C@H]([NH2+]CCC[C@@H]1CCCCO1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000183998091 822560757 /nfs/dbraw/zinc/56/07/57/822560757.db2.gz CGZVRAMRGNCEBL-HKUYNNGSSA-N 1 0 379.566 4.403 20 0 GIADRO C[C@H]([NH2+]Cc1nnc(-c2cc3c(s2)CCCC3)o1)[C@@H]1COc2ccccc21 ZINC000184001791 822561558 /nfs/dbraw/zinc/56/15/58/822561558.db2.gz XGKOZUKOVLCNFJ-BBRMVZONSA-N 1 0 381.501 4.331 20 0 GIADRO Cc1nc(COc2ccc(N[C@@H](C)c3cccc(OCC[NH+](C)C)c3)cc2)no1 ZINC000179832207 822562248 /nfs/dbraw/zinc/56/22/48/822562248.db2.gz HYAWWIXKPJKQFF-INIZCTEOSA-N 1 0 396.491 4.071 20 0 GIADRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)Nc1ccc(-c2ncco2)cc1 ZINC000179832885 822562461 /nfs/dbraw/zinc/56/24/61/822562461.db2.gz ARBFPJVCJUOEPV-UHFFFAOYSA-N 1 0 390.487 4.375 20 0 GIADRO CN(C)c1cc[nH+]cc1C(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000184006325 822562726 /nfs/dbraw/zinc/56/27/26/822562726.db2.gz KKDCUQPVMMPOMA-UHFFFAOYSA-N 1 0 375.925 4.198 20 0 GIADRO Cc1cc(C)c(-c2csc(NC(=O)C[NH2+][C@@H](C)C3CCOCC3)n2)cc1C ZINC000179844939 822565081 /nfs/dbraw/zinc/56/50/81/822565081.db2.gz RILIXNIEJYCREW-INIZCTEOSA-N 1 0 387.549 4.079 20 0 GIADRO CC[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2C)CC1)c1ccc(OC)cc1 ZINC000179844714 822565117 /nfs/dbraw/zinc/56/51/17/822565117.db2.gz GRTAGFVSCRDUOR-HSZRJFAPSA-N 1 0 380.532 4.278 20 0 GIADRO CSc1ccc([C@@H](CNC(=O)Nc2ccc3oc(C)nc3c2)[NH+](C)C)cc1 ZINC000454975766 822565249 /nfs/dbraw/zinc/56/52/49/822565249.db2.gz QEZPPNAOBKHXNO-GOSISDBHSA-N 1 0 384.505 4.283 20 0 GIADRO Cc1cc(C)c(NC(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)c(C)c1 ZINC000047323581 822565855 /nfs/dbraw/zinc/56/58/55/822565855.db2.gz PMHOHVZXDXZYRM-UHFFFAOYSA-N 1 0 394.563 4.336 20 0 GIADRO O=C(Nc1ccc(Cl)cc1Br)NC1CC[NH+](C2CCC2)CC1 ZINC000454988386 822566531 /nfs/dbraw/zinc/56/65/31/822566531.db2.gz HASMAGICLOWPRR-UHFFFAOYSA-N 1 0 386.721 4.241 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)Nc1ccc(Cl)cc1Br ZINC000454989299 822566534 /nfs/dbraw/zinc/56/65/34/822566534.db2.gz IESBUGAIHAJLJI-UHFFFAOYSA-N 1 0 376.726 4.344 20 0 GIADRO Cn1nccc1CC[NH2+][C@H](c1ccc(Br)cc1)c1ccccc1F ZINC000184028357 822567258 /nfs/dbraw/zinc/56/72/58/822567258.db2.gz DIDPIUWPXYQSRJ-LJQANCHMSA-N 1 0 388.284 4.243 20 0 GIADRO CCC(CC)n1nc(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)cc1C ZINC000179858982 822567534 /nfs/dbraw/zinc/56/75/34/822567534.db2.gz WUVSMLDTWKLMNG-UHFFFAOYSA-N 1 0 397.567 4.335 20 0 GIADRO O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)N1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000455000998 822568320 /nfs/dbraw/zinc/56/83/20/822568320.db2.gz YYUPSCROQKXBOP-VXKWHMMOSA-N 1 0 383.536 4.204 20 0 GIADRO CC(=O)N(c1nc(C[NH2+][C@H](C)C2CCOCC2)cs1)c1cccc(C)c1C ZINC000179866660 822568537 /nfs/dbraw/zinc/56/85/37/822568537.db2.gz QODWRDWBGXLTSF-MRXNPFEDSA-N 1 0 387.549 4.349 20 0 GIADRO Cc1noc(C)c1[C@@H](C)C[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000184041586 822569396 /nfs/dbraw/zinc/56/93/96/822569396.db2.gz MSTNXRGQJURWLB-JTQLQIEISA-N 1 0 380.279 4.072 20 0 GIADRO CC(C)OC1CCC([NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CC1 ZINC000184041684 822569479 /nfs/dbraw/zinc/56/94/79/822569479.db2.gz KQNKULAYSXCCFB-UHFFFAOYSA-N 1 0 383.323 4.400 20 0 GIADRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1 ZINC000179882409 822571203 /nfs/dbraw/zinc/57/12/03/822571203.db2.gz XXRVKOMTGJGFTO-WMLDXEAASA-N 1 0 386.883 4.228 20 0 GIADRO O=C(NCc1ccc(C(F)F)cc1)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000184064044 822573302 /nfs/dbraw/zinc/57/33/02/822573302.db2.gz MOLQQJRHTRDKKQ-MRXNPFEDSA-N 1 0 393.503 4.397 20 0 GIADRO COC(=O)COc1ccccc1[C@H](C)[NH2+]Cc1ccccc1N1CCCCC1 ZINC000184063887 822573322 /nfs/dbraw/zinc/57/33/22/822573322.db2.gz KXBCWXHHXZWSPD-SFHVURJKSA-N 1 0 382.504 4.080 20 0 GIADRO CSc1ccc(NC(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000047394883 822574560 /nfs/dbraw/zinc/57/45/60/822574560.db2.gz QGGLHDGAJLHTFT-UHFFFAOYSA-N 1 0 398.576 4.132 20 0 GIADRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc2nc(Cc3ccccc3)oc2c1 ZINC000179908457 822575010 /nfs/dbraw/zinc/57/50/10/822575010.db2.gz RQTDDKYEHWORNY-VQIMIIECSA-N 1 0 390.487 4.119 20 0 GIADRO Cc1cc(N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)ccc1OC1CCOCC1 ZINC000179911641 822575341 /nfs/dbraw/zinc/57/53/41/822575341.db2.gz TXVSUXXNQDPSIK-CVDCTZTESA-N 1 0 395.547 4.270 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1cccnc1C(F)(F)F ZINC000179912294 822575640 /nfs/dbraw/zinc/57/56/40/822575640.db2.gz SJLWDTPZKGCTJU-HNNXBMFYSA-N 1 0 391.437 4.405 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2cccnc2C(F)(F)F)C1 ZINC000179912200 822575648 /nfs/dbraw/zinc/57/56/48/822575648.db2.gz SJLWVZBWQCBYET-OAHLLOKOSA-N 1 0 391.437 4.262 20 0 GIADRO O=C(CC[N@H+](C[C@@H]1CCOC1)C1CC1)Nc1ccccc1Oc1ccccc1 ZINC000047405646 822575873 /nfs/dbraw/zinc/57/58/73/822575873.db2.gz VEXGUIWSOXXDJL-SFHVURJKSA-N 1 0 380.488 4.308 20 0 GIADRO C[C@@H]([NH2+]CCCc1nc(-c2ccc(F)cc2)no1)c1nc2c(s1)CCCC2 ZINC000184090687 822576551 /nfs/dbraw/zinc/57/65/51/822576551.db2.gz YHLXMBKMBJMEQR-CYBMUJFWSA-N 1 0 386.496 4.494 20 0 GIADRO CC(=O)N(Cc1ccc(N[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1)C(C)C ZINC000179919943 822577297 /nfs/dbraw/zinc/57/72/97/822577297.db2.gz IUJIVBSLPUOWEH-CYFREDJKSA-N 1 0 394.563 4.161 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)[C@H]2C[C@H]2c2ccc(F)cc2F)CC1 ZINC000184107786 822579327 /nfs/dbraw/zinc/57/93/27/822579327.db2.gz GXNKCVKMNZSOCR-PMACEKPBSA-N 1 0 378.507 4.429 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)cc2F)CC1 ZINC000184107755 822579368 /nfs/dbraw/zinc/57/93/68/822579368.db2.gz GXNKCVKMNZSOCR-UXHICEINSA-N 1 0 378.507 4.429 20 0 GIADRO C[NH+](C)C[C@H]1CCN(C(=O)c2ccc(-c3cccc(OC(F)(F)F)c3)s2)C1 ZINC000179935574 822580393 /nfs/dbraw/zinc/58/03/93/822580393.db2.gz WZSLQUJPEBLWPG-CYBMUJFWSA-N 1 0 398.450 4.337 20 0 GIADRO Cc1csc([C@@H](C)C[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)n1 ZINC000184115287 822580558 /nfs/dbraw/zinc/58/05/58/822580558.db2.gz BEQUNNZZILVAIB-NSHDSACASA-N 1 0 391.338 4.497 20 0 GIADRO CCCC(=O)Nc1ccc(Cl)c(NC(=O)N2CC[N@H+](CC)C[C@@H]2CC)c1 ZINC000455065709 822583552 /nfs/dbraw/zinc/58/35/52/822583552.db2.gz ZQOCSASXUFAYIT-HNNXBMFYSA-N 1 0 380.920 4.027 20 0 GIADRO Cn1cc(C[N@@H+]2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)c(C(C)(C)C)n1 ZINC000179958383 822585628 /nfs/dbraw/zinc/58/56/28/822585628.db2.gz GTCODSJVTHFSAT-MRXNPFEDSA-N 1 0 397.498 4.286 20 0 GIADRO COCCOc1ccc([C@@H](C)[NH2+][C@@H]2CCCOc3cc(F)ccc32)cc1OC ZINC000179961360 822586312 /nfs/dbraw/zinc/58/63/12/822586312.db2.gz HNIYSTFJMARGPN-DNVCBOLYSA-N 1 0 389.467 4.424 20 0 GIADRO Cc1ncc([C@@H](C)[NH2+][C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)s1 ZINC000179972118 822588135 /nfs/dbraw/zinc/58/81/35/822588135.db2.gz ZQHWMXIYMPJQIT-MLGOLLRUSA-N 1 0 397.466 4.312 20 0 GIADRO Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)CC1(C[NH3+])CCCCC1 ZINC000184168848 822589653 /nfs/dbraw/zinc/58/96/53/822589653.db2.gz CCMPSUSQVLIAGX-GOSISDBHSA-N 1 0 385.552 4.247 20 0 GIADRO Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)CC1(C[NH3+])CCCCC1 ZINC000184168890 822589727 /nfs/dbraw/zinc/58/97/27/822589727.db2.gz PHDRSEGEISDENC-KRWDZBQOSA-N 1 0 385.552 4.105 20 0 GIADRO COc1ccc2cc(CN(C)C(=O)NCCCCC[NH+]3CCCC3)ccc2c1 ZINC000455115691 822591112 /nfs/dbraw/zinc/59/11/12/822591112.db2.gz MNKNEMIBUMFHNB-UHFFFAOYSA-N 1 0 383.536 4.256 20 0 GIADRO Cc1ccc(C)c(NC(=S)NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)c1 ZINC000047567398 822591453 /nfs/dbraw/zinc/59/14/53/822591453.db2.gz WRXHBIXWPZVOGN-OALUTQOASA-N 1 0 397.588 4.399 20 0 GIADRO Cc1cccc(NC(=S)NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1C ZINC000047567407 822591456 /nfs/dbraw/zinc/59/14/56/822591456.db2.gz JJKAQERUHIJONC-HDICACEKSA-N 1 0 397.588 4.399 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(Cn2cccn2)cc1)c1nc2ccc(Cl)cc2n1C ZINC000179990612 822591760 /nfs/dbraw/zinc/59/17/60/822591760.db2.gz ONZCGBFRMUNBDA-HNNXBMFYSA-N 1 0 379.895 4.322 20 0 GIADRO O=C(NCC[NH2+][C@H](c1ccc(Cl)cc1)c1ccc(OC(F)F)cc1)C1CC1 ZINC000179989883 822591779 /nfs/dbraw/zinc/59/17/79/822591779.db2.gz PFTSSGTYLJERAZ-GOSISDBHSA-N 1 0 394.849 4.147 20 0 GIADRO COc1cccc(C=C2CCN(C(=O)NCCCCC[NH+]3CCCC3)CC2)c1 ZINC000455120523 822591976 /nfs/dbraw/zinc/59/19/76/822591976.db2.gz SHMZEFGIKKGHPV-UHFFFAOYSA-N 1 0 385.552 4.150 20 0 GIADRO CC(F)(F)CCCNC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000455127499 822593363 /nfs/dbraw/zinc/59/33/63/822593363.db2.gz OQDLZINIRZEHKI-OAHLLOKOSA-N 1 0 393.400 4.014 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CSc2ccccc21 ZINC000455128486 822593523 /nfs/dbraw/zinc/59/35/23/822593523.db2.gz UFQWIHOHEOCGQD-VQTJNVASSA-N 1 0 395.572 4.039 20 0 GIADRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]CC(=O)Nc3c(C)cc(C)cc3C)ccc2NC1=O ZINC000180005319 822594149 /nfs/dbraw/zinc/59/41/49/822594149.db2.gz UCCTZKYQMROPMK-APWZRJJASA-N 1 0 395.503 4.011 20 0 GIADRO CCOc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(OCC)c(OC)c1 ZINC000047609040 822596326 /nfs/dbraw/zinc/59/63/26/822596326.db2.gz PVNKCUWBEXAFFT-CVEARBPZSA-N 1 0 386.492 4.170 20 0 GIADRO CC(F)(F)CCNC(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000455145399 822596555 /nfs/dbraw/zinc/59/65/55/822596555.db2.gz RPTGSFUMCPNFGR-LJQANCHMSA-N 1 0 393.522 4.364 20 0 GIADRO Cn1cc(C[NH+]2CCC(C(=O)Nc3ccc(F)cc3)CC2)c(-c2cccs2)n1 ZINC000180013367 822596590 /nfs/dbraw/zinc/59/65/90/822596590.db2.gz KEDSNLMJTJGLSV-UHFFFAOYSA-N 1 0 398.507 4.138 20 0 GIADRO O=S1(=O)CC[C@@H](C[NH2+]Cc2ccc(-c3ccc(Cl)c(Cl)c3)s2)C1 ZINC000047609596 822596719 /nfs/dbraw/zinc/59/67/19/822596719.db2.gz QOXKJQQXAXXPOD-NSHDSACASA-N 1 0 390.357 4.246 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)cc1OC ZINC000047609938 822596729 /nfs/dbraw/zinc/59/67/29/822596729.db2.gz REFISPKOUJXYBE-ZDUSSCGKSA-N 1 0 377.868 4.369 20 0 GIADRO COc1ccc(NC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1OC(C)C ZINC000184218561 822598000 /nfs/dbraw/zinc/59/80/00/822598000.db2.gz FBOWVKDKIZQZDM-DLBZAZTESA-N 1 0 389.540 4.257 20 0 GIADRO CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3ccc(C(=O)OC(C)C)cc3)ccc2NC1=O ZINC000180025158 822599437 /nfs/dbraw/zinc/59/94/37/822599437.db2.gz PLPDYAZANQGYCD-MGPUTAFESA-N 1 0 396.487 4.212 20 0 GIADRO Cc1cc(C)n(-c2ccc(C[NH2+][C@H]3CCc4c3cccc4Br)cn2)n1 ZINC000180025593 822599701 /nfs/dbraw/zinc/59/97/01/822599701.db2.gz JBMWPUMBINZDIM-IBGZPJMESA-N 1 0 397.320 4.424 20 0 GIADRO C[C@@H]1C[C@H]1[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(Cl)cc1 ZINC000180028039 822600180 /nfs/dbraw/zinc/60/01/80/822600180.db2.gz SRPWIIGNEYPHCM-JSNMRZPZSA-N 1 0 392.952 4.077 20 0 GIADRO CC(C)C(=O)Nc1ccc(C[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)cc1 ZINC000180029829 822600646 /nfs/dbraw/zinc/60/06/46/822600646.db2.gz LHFBLLUOGQYZIT-UHFFFAOYSA-N 1 0 389.540 4.207 20 0 GIADRO C[C@@H]1C[C@H]1[C@H]([NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1)c1ccc(Cl)cc1 ZINC000180031596 822601017 /nfs/dbraw/zinc/60/10/17/822601017.db2.gz MSUZWGRYHAQZGT-WYAVIUHXSA-N 1 0 388.298 4.488 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)NC[C@H]2CCCCC2(F)F)[C@H]1c1cccs1 ZINC000455170678 822601202 /nfs/dbraw/zinc/60/12/02/822601202.db2.gz OPFXFVHPSYRPOT-INMHGKMJSA-N 1 0 385.524 4.256 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)Nc1ccc(OC(F)F)c2cccnc12 ZINC000455171991 822601560 /nfs/dbraw/zinc/60/15/60/822601560.db2.gz ACDNAIIFYKASNT-UHFFFAOYSA-N 1 0 380.439 4.078 20 0 GIADRO COc1ccc(NC(=O)C[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]2C[C@H]2C)c(OC)c1 ZINC000180035521 822601854 /nfs/dbraw/zinc/60/18/54/822601854.db2.gz PQYTVYLYSBTZMU-QKAVXHIFSA-N 1 0 388.895 4.283 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)Nc1cc(CC2CC2)nn1-c1ccccc1 ZINC000455180050 822602724 /nfs/dbraw/zinc/60/27/24/822602724.db2.gz JPQSYXPDSAFSIS-UHFFFAOYSA-N 1 0 383.540 4.067 20 0 GIADRO CCCC(=O)Nc1cccc(NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000047715219 822603025 /nfs/dbraw/zinc/60/30/25/822603025.db2.gz LPCUKTQCASAONN-NRFANRHFSA-N 1 0 394.519 4.384 20 0 GIADRO CN(C)S(=O)(=O)c1ccc(C[NH2+][C@H](c2ccccc2F)C2CCCC2)cc1 ZINC000180043455 822603284 /nfs/dbraw/zinc/60/32/84/822603284.db2.gz PFFYEXFCAPNLGW-NRFANRHFSA-N 1 0 390.524 4.097 20 0 GIADRO FC(F)Oc1ccc([C@H]([NH2+]CCCn2ccnn2)c2ccc(Cl)cc2)cc1 ZINC000184264700 822605530 /nfs/dbraw/zinc/60/55/30/822605530.db2.gz MLBLJIGTUBIFNT-GOSISDBHSA-N 1 0 392.837 4.302 20 0 GIADRO Cc1ccccc1OCCCC(=O)Nc1ccc(C[NH2+]Cc2ccccn2)cc1 ZINC000047747118 822605720 /nfs/dbraw/zinc/60/57/20/822605720.db2.gz NZGLQQHIICFHIG-UHFFFAOYSA-N 1 0 389.499 4.478 20 0 GIADRO CCc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+][C@H](C)C[S@@](C)=O)cc1 ZINC000184269512 822606345 /nfs/dbraw/zinc/60/63/45/822606345.db2.gz GWYGFSOZRCJZBK-KWMCUTETSA-N 1 0 395.572 4.017 20 0 GIADRO COc1cc(Br)ccc1CCC[NH2+]Cc1ccccc1NC(C)=O ZINC000184277178 822607320 /nfs/dbraw/zinc/60/73/20/822607320.db2.gz FEZVQMJRIZMRIN-UHFFFAOYSA-N 1 0 391.309 4.139 20 0 GIADRO CCOc1ccc([C@H](C)NC(=O)NCc2cccc(C[NH+](C)C)c2)cc1OCC ZINC000047774391 822608550 /nfs/dbraw/zinc/60/85/50/822608550.db2.gz RDKCNHROBFDPPU-KRWDZBQOSA-N 1 0 399.535 4.106 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)c1ncccc1C(F)(F)F ZINC000180071799 822609576 /nfs/dbraw/zinc/60/95/76/822609576.db2.gz WJECUBGLCPDMJA-UHFFFAOYSA-N 1 0 391.437 4.406 20 0 GIADRO C[C@H](C[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1)c1nccs1 ZINC000184292703 822609814 /nfs/dbraw/zinc/60/98/14/822609814.db2.gz XDHOIQYOLKEAIU-LLVKDONJSA-N 1 0 377.311 4.189 20 0 GIADRO C[NH+](C)CCc1ccccc1NC(=O)N1CC(c2cccc(C(F)(F)F)c2)C1 ZINC000455227201 822612535 /nfs/dbraw/zinc/61/25/35/822612535.db2.gz LXYUIMBOEPRQEH-UHFFFAOYSA-N 1 0 391.437 4.441 20 0 GIADRO CC[C@@H](NC(=O)NC[C@H](c1cccs1)[NH+](C)C)c1ccccc1OC(F)F ZINC000047832353 822613424 /nfs/dbraw/zinc/61/34/24/822613424.db2.gz OPLSKISRHMWCFZ-HUUCEWRRSA-N 1 0 397.491 4.403 20 0 GIADRO CC[NH+](CC)CCn1ccc2cc(NC(=O)[C@@H]3C[C@H]3c3cccnc3)ccc21 ZINC000455235814 822614695 /nfs/dbraw/zinc/61/46/95/822614695.db2.gz WDCSLMAMTVHVAT-LEWJYISDSA-N 1 0 376.504 4.120 20 0 GIADRO COc1cc([C@H](C)[NH2+]CC(=O)N[C@@H](C)c2cccs2)ccc1OCC(C)C ZINC000180096869 822614749 /nfs/dbraw/zinc/61/47/49/822614749.db2.gz OLMXMVHYJUSSSD-HOTGVXAUSA-N 1 0 390.549 4.320 20 0 GIADRO C[NH+](C)CCc1ccccc1NC(=O)N[C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000455237190 822614913 /nfs/dbraw/zinc/61/49/13/822614913.db2.gz ZGQBKRJYKAZBSZ-MRXNPFEDSA-N 1 0 377.410 4.017 20 0 GIADRO Cc1cccc(-c2nc(CC(=O)N[C@H]3CC[N@@H+](C)[C@@H]3c3ccccc3)cs2)c1 ZINC000180099600 822615249 /nfs/dbraw/zinc/61/52/49/822615249.db2.gz OSKBEDODJTUXAU-RBBKRZOGSA-N 1 0 391.540 4.223 20 0 GIADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N[C@H]1CCSc2ccccc21 ZINC000047868622 822615481 /nfs/dbraw/zinc/61/54/81/822615481.db2.gz UZNORQRCIBXOMR-DLBZAZTESA-N 1 0 387.574 4.421 20 0 GIADRO CCCNC(=O)CN1CCC([NH2+][C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000180102542 822615595 /nfs/dbraw/zinc/61/55/95/822615595.db2.gz GKHUEELKUQDKSH-HSZRJFAPSA-N 1 0 399.966 4.010 20 0 GIADRO C[C@H](NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000047883283 822616262 /nfs/dbraw/zinc/61/62/62/822616262.db2.gz VVJWRMFRYMABDB-WMLDXEAASA-N 1 0 395.425 4.496 20 0 GIADRO O=C(C[N@H+](C1CC1)C1CCCCC1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000047904076 822618023 /nfs/dbraw/zinc/61/80/23/822618023.db2.gz HVPXNXBBINPBRE-OAQYLSRUSA-N 1 0 398.547 4.309 20 0 GIADRO Cn1ccnc1CC1CC[NH+](Cc2ccc(Br)c3cccnc23)CC1 ZINC000180113692 822618086 /nfs/dbraw/zinc/61/80/86/822618086.db2.gz YNYDIADQZSJJTL-UHFFFAOYSA-N 1 0 399.336 4.186 20 0 GIADRO O=C(c1ccccc1F)N1CCC([NH2+][C@@H](c2ccccc2)c2ccccn2)CC1 ZINC000180114626 822618159 /nfs/dbraw/zinc/61/81/59/822618159.db2.gz XDTBKFGLWCDAKD-QHCPKHFHSA-N 1 0 389.474 4.205 20 0 GIADRO COc1ccc2oc([C@@H](C)[NH2+]C[C@@H](O)COc3cccc4[nH]ccc43)c(C)c2c1 ZINC000184338875 822618157 /nfs/dbraw/zinc/61/81/57/822618157.db2.gz AZUZVOWGHYZUSD-HZPDHXFCSA-N 1 0 394.471 4.322 20 0 GIADRO O=C(N[C@H]1CCCC[C@H]1CC(F)(F)F)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000455252948 822618323 /nfs/dbraw/zinc/61/83/23/822618323.db2.gz DZGQWKHWFFEFJZ-MVJTYMMSSA-N 1 0 387.490 4.156 20 0 GIADRO O=C(N[C@H]1CCCC[C@H]1CC(F)(F)F)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000455252949 822618335 /nfs/dbraw/zinc/61/83/35/822618335.db2.gz DZGQWKHWFFEFJZ-UOVPBQLFSA-N 1 0 387.490 4.156 20 0 GIADRO COc1ccc2oc([C@@H](C)[NH2+]C[C@@H]3CN(c4ccccc4)C(=O)O3)c(C)c2c1 ZINC000184341471 822618504 /nfs/dbraw/zinc/61/85/04/822618504.db2.gz GOWSVSLGQZAVEJ-CRAIPNDOSA-N 1 0 380.444 4.426 20 0 GIADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)Nc1cccc(OC(F)F)c1 ZINC000047906709 822618503 /nfs/dbraw/zinc/61/85/03/822618503.db2.gz OGTSXXBFJSVJLL-HNNXBMFYSA-N 1 0 381.448 4.308 20 0 GIADRO Cc1cnc([C@H](C)C[NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)s1 ZINC000184345859 822619617 /nfs/dbraw/zinc/61/96/17/822619617.db2.gz CQPYJKSCOATHOH-SNVBAGLBSA-N 1 0 382.320 4.232 20 0 GIADRO COc1cc(C[NH2+]C[C@@H](C)c2ncc(C)s2)ccc1OCc1ccncc1 ZINC000184346195 822619631 /nfs/dbraw/zinc/61/96/31/822619631.db2.gz SPOMWVKEJKYWML-OAHLLOKOSA-N 1 0 383.517 4.327 20 0 GIADRO Cc1nc(CSc2ccc(C(=O)NC[C@@H](C)C[NH+]3CCCC3)cc2)cs1 ZINC000047920171 822619709 /nfs/dbraw/zinc/61/97/09/822619709.db2.gz XNPUEHOVIIXNLJ-OAHLLOKOSA-N 1 0 389.590 4.206 20 0 GIADRO Cc1cnc([C@H](C)C[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)s1 ZINC000184346927 822619829 /nfs/dbraw/zinc/61/98/29/822619829.db2.gz WFRCJFDPPFMNOQ-LLVKDONJSA-N 1 0 391.338 4.497 20 0 GIADRO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(COc3ccc(F)cc3)o2)[C@@H]1c1ccccc1 ZINC000180126171 822620720 /nfs/dbraw/zinc/62/07/20/822620720.db2.gz WYVHACBGMNCWBB-IRLDBZIGSA-N 1 0 394.446 4.173 20 0 GIADRO CCOC(=O)Nc1ccc(NC(=O)NC[C@@H](c2ccccc2)[NH+](CC)CC)cc1 ZINC000047946160 822621460 /nfs/dbraw/zinc/62/14/60/822621460.db2.gz JFBNIKJUOKZVLP-FQEVSTJZSA-N 1 0 398.507 4.460 20 0 GIADRO O=C(NCCCCOc1ccccc1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000047951101 822622146 /nfs/dbraw/zinc/62/21/46/822622146.db2.gz DKYMWTAVQFRZAL-IBGZPJMESA-N 1 0 387.549 4.043 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1ccnn1Cc1cccs1)c1cc2ccccc2s1 ZINC000184362312 822622509 /nfs/dbraw/zinc/62/25/09/822622509.db2.gz OLZUGLZSBLWNHR-AWEZNQCLSA-N 1 0 396.541 4.497 20 0 GIADRO CCCCOc1ccc(-c2nnc(CN3CCC(C[NH+]4CCCC4)CC3)o2)cc1 ZINC000047968198 822622938 /nfs/dbraw/zinc/62/29/38/822622938.db2.gz MCTBKFHKEGZXIP-UHFFFAOYSA-N 1 0 398.551 4.223 20 0 GIADRO COC(C)(C)C[C@@H](C)[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000180134421 822623223 /nfs/dbraw/zinc/62/32/23/822623223.db2.gz VYYHCEOYIGBJPH-OAHLLOKOSA-N 1 0 383.374 4.207 20 0 GIADRO COC(C)(C)C[C@H](C)[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000180134402 822623253 /nfs/dbraw/zinc/62/32/53/822623253.db2.gz VYYHCEOYIGBJPH-HNNXBMFYSA-N 1 0 383.374 4.207 20 0 GIADRO Cc1ccccc1C(NC(=O)N(C)CC1CC[NH+](C)CC1)c1ccccc1C ZINC000184368983 822623293 /nfs/dbraw/zinc/62/32/93/822623293.db2.gz RTCJYSYZBDAELZ-UHFFFAOYSA-N 1 0 379.548 4.376 20 0 GIADRO CC[NH+](CC)CC1CCN(Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1 ZINC000047977259 822623600 /nfs/dbraw/zinc/62/36/00/822623600.db2.gz OJHYAZRJQGXYHC-UHFFFAOYSA-N 1 0 396.457 4.309 20 0 GIADRO C[NH+](C)C1(CNC(=O)N[C@@H](c2ccccc2)c2ccccn2)CCCCCC1 ZINC000047984065 822623706 /nfs/dbraw/zinc/62/37/06/822623706.db2.gz ASGBKTLJWZLQOH-NRFANRHFSA-N 1 0 380.536 4.125 20 0 GIADRO CCCCCNC(=O)C1CC[NH+](Cc2cccc(OCc3ccccn3)c2)CC1 ZINC000180136793 822623995 /nfs/dbraw/zinc/62/39/95/822623995.db2.gz GTNLCDLHQYATED-UHFFFAOYSA-N 1 0 395.547 4.179 20 0 GIADRO COc1cccc([C@H](CNC(=O)NCc2ccc(Cl)s2)[NH+]2CCCC2)c1 ZINC000047986630 822624104 /nfs/dbraw/zinc/62/41/04/822624104.db2.gz IROLFKRPGHZFCT-KRWDZBQOSA-N 1 0 393.940 4.046 20 0 GIADRO O=C(Nc1ccc(Cl)cc1OC(F)F)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000184374243 822624108 /nfs/dbraw/zinc/62/41/08/822624108.db2.gz HZIAAICMZYPVGT-WBMJQRKESA-N 1 0 399.869 4.422 20 0 GIADRO Cc1c(NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)cccc1N(C)C ZINC000180143257 822625647 /nfs/dbraw/zinc/62/56/47/822625647.db2.gz SVCRCGZWAAOXRP-UHFFFAOYSA-N 1 0 380.536 4.189 20 0 GIADRO COc1cc(C)c(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)cc1C ZINC000455282878 822626357 /nfs/dbraw/zinc/62/63/57/822626357.db2.gz LOXGKNDLZDIZCA-QGZVFWFLSA-N 1 0 381.520 4.298 20 0 GIADRO COc1cc(C)c(NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)cc1C ZINC000455285165 822627191 /nfs/dbraw/zinc/62/71/91/822627191.db2.gz QTGXGINKYXBXPY-UHFFFAOYSA-N 1 0 387.446 4.193 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(N[C@@H](c2cnn(C)c2)c2cccc(F)c2)CC1 ZINC000180150296 822627289 /nfs/dbraw/zinc/62/72/89/822627289.db2.gz VZKDUOHTGAZZQR-XMMPIXPASA-N 1 0 392.522 4.211 20 0 GIADRO C[C@@H]([NH2+][C@@H](c1ccccc1F)C1CCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000180150474 822627371 /nfs/dbraw/zinc/62/73/71/822627371.db2.gz OOZYBECKUOQSIB-JLTOFOAXSA-N 1 0 376.497 4.055 20 0 GIADRO CCc1c(NC(=O)NC(C)(C)CCC[NH+](C)C)cnn1-c1cccc(Cl)c1 ZINC000455287249 822627959 /nfs/dbraw/zinc/62/79/59/822627959.db2.gz TTZFRWYTDUSFPI-UHFFFAOYSA-N 1 0 391.947 4.330 20 0 GIADRO CC(C)c1c(NC(=O)NC(C)(C)C[NH+](C)C)cnn1-c1ccc(Cl)cc1 ZINC000455288359 822628309 /nfs/dbraw/zinc/62/83/09/822628309.db2.gz VIRHUHOFRIGVIN-UHFFFAOYSA-N 1 0 377.920 4.111 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)C2CCCCC2)C1)c1nc2ccc(Cl)cc2n1C ZINC000180155136 822628405 /nfs/dbraw/zinc/62/84/05/822628405.db2.gz KKFMYIOBYOAKBT-RHSMWYFYSA-N 1 0 388.943 4.059 20 0 GIADRO Cc1ccc(C(=O)CCCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000184405981 822629464 /nfs/dbraw/zinc/62/94/64/822629464.db2.gz ZHWJCRFNKYDNSS-UHFFFAOYSA-N 1 0 378.516 4.129 20 0 GIADRO COc1ccc(NC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)c(C(F)(F)F)c1 ZINC000048083341 822630335 /nfs/dbraw/zinc/63/03/35/822630335.db2.gz RHOHGOIEXIZSBM-UHFFFAOYSA-N 1 0 387.446 4.298 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)Nc2ccc(F)cc2Br)CC1 ZINC000048082823 822630362 /nfs/dbraw/zinc/63/03/62/822630362.db2.gz LWQWGQYQWVEUDY-UHFFFAOYSA-N 1 0 386.309 4.172 20 0 GIADRO Cc1nnc(-c2cccc(NCc3c(Cl)cccc3N3CC[NH+](C)CC3)c2)o1 ZINC000180164974 822630635 /nfs/dbraw/zinc/63/06/35/822630635.db2.gz DOVAPBWFGYSPIM-UHFFFAOYSA-N 1 0 397.910 4.062 20 0 GIADRO CN(C(=O)OC(C)(C)C)C1CCN(Cc2c(C3CC3)nc3sccn23)CC1 ZINC000180173359 822632403 /nfs/dbraw/zinc/63/24/03/822632403.db2.gz PYYQPFVTBQICKQ-UHFFFAOYSA-N 1 0 390.553 4.105 20 0 GIADRO O[C@H](C[NH2+]C1CCN(CCC(F)(F)F)CC1)c1c(Cl)cccc1Cl ZINC000180177371 822632983 /nfs/dbraw/zinc/63/29/83/822632983.db2.gz OZWUAQGCJOZVOI-CQSZACIVSA-N 1 0 385.257 4.033 20 0 GIADRO C[N@@H+]1CC[C@@H](NC(=O)CCc2cc(Br)cs2)[C@@H]1c1ccccc1 ZINC000180178745 822633397 /nfs/dbraw/zinc/63/33/97/822633397.db2.gz SEVWPBVJNANTRO-AEFFLSMTSA-N 1 0 393.350 4.005 20 0 GIADRO Cc1c(NC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)cccc1N(C)C ZINC000180180539 822633787 /nfs/dbraw/zinc/63/37/87/822633787.db2.gz LUYBFNSRFXDVFT-SFHVURJKSA-N 1 0 380.536 4.189 20 0 GIADRO C[N@H+](CCCCNC(=O)Nc1ccnc(Oc2ccc(F)cc2F)c1)C1CC1 ZINC000455320140 822633842 /nfs/dbraw/zinc/63/38/42/822633842.db2.gz ZWYIYGHLYRWQTC-UHFFFAOYSA-N 1 0 390.434 4.148 20 0 GIADRO CC(C)[C@@H]([NH2+]C1CCC(S(C)(=O)=O)CC1)c1cccc(C(F)(F)F)c1 ZINC000180183816 822634548 /nfs/dbraw/zinc/63/45/48/822634548.db2.gz VKLTVTQQXBZITR-OFLPRAFFSA-N 1 0 377.472 4.348 20 0 GIADRO COCc1nc2n(n1)C[C@H]([NH2+][C@H](c1ccc(Cl)c(Cl)c1)C(C)C)CC2 ZINC000180189250 822635627 /nfs/dbraw/zinc/63/56/27/822635627.db2.gz GZDYTLJWGXMXOP-ACJLOTCBSA-N 1 0 383.323 4.033 20 0 GIADRO COCc1nc2n(n1)C[C@@H]([NH2+][C@H](c1ccc(Cl)c(Cl)c1)C(C)C)CC2 ZINC000180189285 822635630 /nfs/dbraw/zinc/63/56/30/822635630.db2.gz GZDYTLJWGXMXOP-UGSOOPFHSA-N 1 0 383.323 4.033 20 0 GIADRO Cc1nc(Cc2ccc(F)cc2)sc1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000048127293 822636598 /nfs/dbraw/zinc/63/65/98/822636598.db2.gz QWHUMXJOLLCVQT-UHFFFAOYSA-N 1 0 389.540 4.220 20 0 GIADRO C[N@@H+]1CC[C@H](NC(=O)Cc2coc(-c3ccc(Cl)cc3)n2)[C@@H]1c1ccccc1 ZINC000180194422 822636790 /nfs/dbraw/zinc/63/67/90/822636790.db2.gz SPBNJGSPNULZFF-FPOVZHCZSA-N 1 0 395.890 4.099 20 0 GIADRO CC1CC[NH+](CCCCNC(=O)Nc2ccc(N3CCCC3)c(F)c2)CC1 ZINC000048139361 822637820 /nfs/dbraw/zinc/63/78/20/822637820.db2.gz KDEKUGMBOCFXEX-UHFFFAOYSA-N 1 0 376.520 4.060 20 0 GIADRO O=C(NCCCCC[NH+]1CCCCC1)N1CC[C@H](c2c(F)cccc2F)C1 ZINC000184452694 822637836 /nfs/dbraw/zinc/63/78/36/822637836.db2.gz GXROCSCLSKUYQW-KRWDZBQOSA-N 1 0 379.495 4.120 20 0 GIADRO C[N@@H+]1CC[C@H](NC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)[C@H]1c1ccccc1 ZINC000180201872 822638655 /nfs/dbraw/zinc/63/86/55/822638655.db2.gz PGTCQDSRKSSIRU-VQTJNVASSA-N 1 0 395.503 4.209 20 0 GIADRO CCOc1ccc(C(=O)N2CCC([NH2+]C/C(C)=C/c3ccccc3)CC2)cc1 ZINC000180204546 822639058 /nfs/dbraw/zinc/63/90/58/822639058.db2.gz DGSQQNIURMHYJJ-HTXNQAPBSA-N 1 0 378.516 4.383 20 0 GIADRO C[C@H]([NH2+]CCCNc1cccc(F)c1)c1ccc(OCc2nccn2C)cc1 ZINC000184461894 822639604 /nfs/dbraw/zinc/63/96/04/822639604.db2.gz GLWUSHOQCHKOIL-KRWDZBQOSA-N 1 0 382.483 4.291 20 0 GIADRO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(CCC(F)(F)F)cc2)[C@@H]1c1ccccc1 ZINC000180209080 822639857 /nfs/dbraw/zinc/63/98/57/822639857.db2.gz IWJFWZGGBLMMNP-MOPGFXCFSA-N 1 0 376.422 4.357 20 0 GIADRO COc1ccc(C(=O)Nc2cccc(C[NH+]3CCCC3)c2)cc1OC(F)F ZINC000048148964 822639973 /nfs/dbraw/zinc/63/99/73/822639973.db2.gz YWRHOCOTQZFDGB-UHFFFAOYSA-N 1 0 376.403 4.145 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)CN1CCCCCCC1=O)C1CCCCC1 ZINC000048157383 822640956 /nfs/dbraw/zinc/64/09/56/822640956.db2.gz PAQVIOJSGMHXRF-UHFFFAOYSA-N 1 0 385.552 4.182 20 0 GIADRO CCCCSc1ccc(Cl)cc1C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000184475549 822642591 /nfs/dbraw/zinc/64/25/91/822642591.db2.gz AKEFDBBIBRDHRT-UHFFFAOYSA-N 1 0 396.984 4.169 20 0 GIADRO CC[C@@H](CC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(OC)cc1 ZINC000180224281 822642886 /nfs/dbraw/zinc/64/28/86/822642886.db2.gz JQMAIGYFJVPWCP-IBGZPJMESA-N 1 0 381.520 4.007 20 0 GIADRO Cc1ccc(OCc2ccccc2)c(NC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000455377357 822643327 /nfs/dbraw/zinc/64/33/27/822643327.db2.gz DJQUYZVAKLBXJH-HSZRJFAPSA-N 1 0 379.504 4.134 20 0 GIADRO C[C@@H](CCc1ccccc1)NC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180230551 822644410 /nfs/dbraw/zinc/64/44/10/822644410.db2.gz LSFUYWWPUKVPDS-FQEVSTJZSA-N 1 0 394.563 4.351 20 0 GIADRO Cc1c(-c2cc(C[N@H+](C)CCCc3cc(-c4ccccc4)no3)on2)cnn1C ZINC000184498192 822645700 /nfs/dbraw/zinc/64/57/00/822645700.db2.gz ADQRXPWJQQLQMV-UHFFFAOYSA-N 1 0 391.475 4.103 20 0 GIADRO Cn1cc(C[NH2+]C[C@H](O)c2c(Cl)cccc2Cl)c(-c2ccccc2)n1 ZINC000180239642 822646215 /nfs/dbraw/zinc/64/62/15/822646215.db2.gz UBFUAKDDOBGVQY-KRWDZBQOSA-N 1 0 376.287 4.217 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)Nc2ncn(C3CCCCC3)n2)CC1 ZINC000184508321 822647466 /nfs/dbraw/zinc/64/74/66/822647466.db2.gz QNZYHXJTHGEJEA-UHFFFAOYSA-N 1 0 390.576 4.149 20 0 GIADRO Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1ccc(Br)c2cccnc12 ZINC000180245790 822647584 /nfs/dbraw/zinc/64/75/84/822647584.db2.gz WHYJTDZMZLYUJU-QGZVFWFLSA-N 1 0 385.309 4.240 20 0 GIADRO COc1ccc(CC[C@@H](C)[NH2+][C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1 ZINC000184511485 822648220 /nfs/dbraw/zinc/64/82/20/822648220.db2.gz XQTQBCBBXXJKDS-MWTRTKDXSA-N 1 0 384.495 4.239 20 0 GIADRO CCC(=O)Nc1ccc(C)c(NC(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)c1 ZINC000048257032 822649296 /nfs/dbraw/zinc/64/92/96/822649296.db2.gz LWRRFGMEPLZPPW-FQEVSTJZSA-N 1 0 388.556 4.222 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2OC(F)(F)F)[C@@H]1c1cccs1 ZINC000180258447 822649558 /nfs/dbraw/zinc/64/95/58/822649558.db2.gz UWFGTTQJCBENFI-SUMWQHHRSA-N 1 0 398.450 4.460 20 0 GIADRO CCC(=O)Nc1ccc(C)c(NC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)c1 ZINC000048258346 822649702 /nfs/dbraw/zinc/64/97/02/822649702.db2.gz BNMKFJNNBVCODU-UHFFFAOYSA-N 1 0 394.519 4.083 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1cc(NC(C)=O)ccc1C)c1ccccc1 ZINC000048271553 822650474 /nfs/dbraw/zinc/65/04/74/822650474.db2.gz YRRWRVONDLFBTL-NRFANRHFSA-N 1 0 382.508 4.158 20 0 GIADRO COc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000184523760 822650631 /nfs/dbraw/zinc/65/06/31/822650631.db2.gz XVIIULCBPAZKGJ-PKTZIBPZSA-N 1 0 382.479 4.295 20 0 GIADRO COc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000184523779 822650647 /nfs/dbraw/zinc/65/06/47/822650647.db2.gz XVIIULCBPAZKGJ-DHIUTWEWSA-N 1 0 382.479 4.295 20 0 GIADRO CN1CCc2ccc(NC(=O)N3CCC(C[N@H+](C)Cc4ccccc4)CC3)cc21 ZINC000180266843 822651320 /nfs/dbraw/zinc/65/13/20/822651320.db2.gz YUAABRSSZIBWJO-UHFFFAOYSA-N 1 0 392.547 4.055 20 0 GIADRO COc1ccc([C@@H]([NH2+]CCCS(=O)(=O)c2ccccc2)c2ccccc2)cc1 ZINC000180267985 822651504 /nfs/dbraw/zinc/65/15/04/822651504.db2.gz IITPKARXZNQEMV-QHCPKHFHSA-N 1 0 395.524 4.238 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)N2CCSC[C@@H]2c2nccs2)cc1)C(C)C ZINC000184529196 822651750 /nfs/dbraw/zinc/65/17/50/822651750.db2.gz HNKVENIUVAHRKM-GOSISDBHSA-N 1 0 389.590 4.304 20 0 GIADRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)Nc1cnn(CC(C)C)c1C1CC1 ZINC000455434052 822653057 /nfs/dbraw/zinc/65/30/57/822653057.db2.gz ZNKOQHILHUAIMG-SFHVURJKSA-N 1 0 375.561 4.049 20 0 GIADRO CC1CC[NH+](Cc2ccc(CNC(=O)CCSCc3ccccn3)cc2)CC1 ZINC000048320217 822653475 /nfs/dbraw/zinc/65/34/75/822653475.db2.gz MCPVHZQMCVSILL-UHFFFAOYSA-N 1 0 397.588 4.253 20 0 GIADRO CCC(=O)Nc1ccc(NC(=O)NC[C@H](c2ccsc2)[NH+](CC)CC)cc1 ZINC000048390193 822658688 /nfs/dbraw/zinc/65/86/88/822658688.db2.gz LGRRWCICVHGPMH-GOSISDBHSA-N 1 0 388.537 4.301 20 0 GIADRO CCC(=O)Nc1ccc(NC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000048390385 822658892 /nfs/dbraw/zinc/65/88/92/822658892.db2.gz NKXVQSMPVBCUEP-QGZVFWFLSA-N 1 0 386.521 4.055 20 0 GIADRO Cc1ccc(C(=O)NCCC[N@H+]2CCCC[C@H]2C)cc1NC(=O)c1ccccc1 ZINC000048397369 822659309 /nfs/dbraw/zinc/65/93/09/822659309.db2.gz OCBNLUVKXJTQIE-LJQANCHMSA-N 1 0 393.531 4.242 20 0 GIADRO CSc1ccc(-c2nsc(NC(=O)NC(C)(C)CCC[NH+](C)C)n2)cc1 ZINC000455463392 822659513 /nfs/dbraw/zinc/65/95/13/822659513.db2.gz YBIMHUWZKIKFSE-UHFFFAOYSA-N 1 0 393.582 4.169 20 0 GIADRO Cc1ccn(-c2ccccc2C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)n1 ZINC000180304926 822660463 /nfs/dbraw/zinc/66/04/63/822660463.db2.gz LEZZQJRNLUFKPB-IHWFROFDSA-N 1 0 396.535 4.201 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)Nc1c(C)cc(C)nc1C)[NH+]1CCCCC1 ZINC000455471576 822661069 /nfs/dbraw/zinc/66/10/69/822661069.db2.gz IXQRPBJROXJMSK-FQEVSTJZSA-N 1 0 396.535 4.364 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)CC1 ZINC000180308435 822661195 /nfs/dbraw/zinc/66/11/95/822661195.db2.gz UJPJOBVIHFJWLU-UHFFFAOYSA-N 1 0 393.491 4.228 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)c1ccc(-c2ccccc2)cc1)c1ccc(-n2cncn2)cc1 ZINC000184587874 822662158 /nfs/dbraw/zinc/66/21/58/822662158.db2.gz OPSPFOHKVDWVND-MHECFPHRSA-N 1 0 384.483 4.319 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1c(C)cc(C)nc1C ZINC000455479351 822662335 /nfs/dbraw/zinc/66/23/35/822662335.db2.gz GKHMOBPJQWLIIJ-OAQYLSRUSA-N 1 0 380.536 4.383 20 0 GIADRO COc1ccc([C@H](CNC(=O)Nc2c(C)cc(C)nc2C)[NH+]2CCCCC2)cc1 ZINC000455479033 822662376 /nfs/dbraw/zinc/66/23/76/822662376.db2.gz NLWHCPRKBDBOJB-NRFANRHFSA-N 1 0 396.535 4.364 20 0 GIADRO Cc1c(-c2cc(C[N@@H+]3CCCCC[C@H]3C[C@H](O)c3ccccc3)on2)cnn1C ZINC000184612290 822665785 /nfs/dbraw/zinc/66/57/85/822665785.db2.gz DLIKJTZGRGJBCK-CVDCTZTESA-N 1 0 394.519 4.252 20 0 GIADRO C[C@@H](CC(=O)NC1CC[NH+](Cc2cccnc2)CC1)Cc1ccc(Cl)cc1 ZINC000180338026 822666041 /nfs/dbraw/zinc/66/60/41/822666041.db2.gz XJLXTVWEXWRRIF-QGZVFWFLSA-N 1 0 385.939 4.085 20 0 GIADRO O=C(N[C@H](Cc1ccccc1)c1ccccc1)NC1CC[NH+](C2CCC2)CC1 ZINC000455499927 822666547 /nfs/dbraw/zinc/66/65/47/822666547.db2.gz DEUSDASQBMAGCP-HSZRJFAPSA-N 1 0 377.532 4.287 20 0 GIADRO COc1ccc(CCC2CCN(C(=O)NC3CC[NH+](C4CCC4)CC3)CC2)cc1 ZINC000455505591 822667834 /nfs/dbraw/zinc/66/78/34/822667834.db2.gz UUYBDVKDPUUVJV-UHFFFAOYSA-N 1 0 399.579 4.066 20 0 GIADRO CC(C)CC[NH+]1CCC(CNC(=O)N[C@@H]2CCO[C@H](c3cccs3)C2)CC1 ZINC000455509588 822668512 /nfs/dbraw/zinc/66/85/12/822668512.db2.gz OTDIOKRMLUWMGO-MOPGFXCFSA-N 1 0 393.597 4.026 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(C)n(-c3cccc(Cl)c3)n2)C1 ZINC000180352622 822668538 /nfs/dbraw/zinc/66/85/38/822668538.db2.gz UYLLCWREIFROPF-INIZCTEOSA-N 1 0 389.931 4.030 20 0 GIADRO CC(C)[C@@H](CSc1ccccc1)[NH2+]Cc1cccc(CS(C)(=O)=O)c1 ZINC000180353767 822668781 /nfs/dbraw/zinc/66/87/81/822668781.db2.gz HOUGMSLPSKLANF-HXUWFJFHSA-N 1 0 377.575 4.138 20 0 GIADRO CCOc1cccc2cc([C@H](C)[NH2+]CC(=O)N3CCc4ccccc4C3)oc21 ZINC000180355279 822669284 /nfs/dbraw/zinc/66/92/84/822669284.db2.gz REWHBIFDDWBIHP-INIZCTEOSA-N 1 0 378.472 4.067 20 0 GIADRO CCOc1cccc2cc([C@@H](C)[NH2+]CC(=O)Nc3ccc(OC)cc3OC)oc21 ZINC000180356679 822669499 /nfs/dbraw/zinc/66/94/99/822669499.db2.gz AICWSTXPOGOHQI-CQSZACIVSA-N 1 0 398.459 4.138 20 0 GIADRO CCOc1cccc2cc([C@H](C)[NH2+]CC(=O)Nc3cccc(NC(C)=O)c3)oc21 ZINC000180357174 822669722 /nfs/dbraw/zinc/66/97/22/822669722.db2.gz FUHHMMBXOFZJFU-AWEZNQCLSA-N 1 0 395.459 4.079 20 0 GIADRO O=C(CCC[NH+]1CCN(c2ccccc2)CC1)Nc1c(F)cc(Cl)cc1F ZINC000180367924 822671045 /nfs/dbraw/zinc/67/10/45/822671045.db2.gz MDMVSHJBVDGCQL-UHFFFAOYSA-N 1 0 393.865 4.159 20 0 GIADRO CC1CC[NH+]([C@@H](CNC(=O)NCc2ccc(Cl)cn2)c2cccs2)CC1 ZINC000180366947 822671061 /nfs/dbraw/zinc/67/10/61/822671061.db2.gz XILKWJSQPWDQDE-KRWDZBQOSA-N 1 0 392.956 4.069 20 0 GIADRO Cc1ccc(N[C@@H](C)CCc2ccc3c(c2)OCO3)cc1NC(=O)CC[NH+](C)C ZINC000184656669 822671534 /nfs/dbraw/zinc/67/15/34/822671534.db2.gz UENLTBABKHIOOK-KRWDZBQOSA-N 1 0 397.519 4.047 20 0 GIADRO COc1ccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C(F)(F)F)c1 ZINC000048549762 822671600 /nfs/dbraw/zinc/67/16/00/822671600.db2.gz KSIQTPKWDXBFHC-HNNXBMFYSA-N 1 0 393.409 4.110 20 0 GIADRO COc1ccc([C@H](C[NH2+][C@@H](C)c2cccc(OC(F)F)c2)N(C)C)cc1OC ZINC000180380035 822672820 /nfs/dbraw/zinc/67/28/20/822672820.db2.gz XJJOCEFDDIOIHR-KSSFIOAISA-N 1 0 394.462 4.259 20 0 GIADRO C[N@H+](CCC1CCOCC1)Cc1ccc(OC(F)F)c(Br)c1 ZINC000180380014 822672923 /nfs/dbraw/zinc/67/29/23/822672923.db2.gz ONJPNFQUVSIEBS-UHFFFAOYSA-N 1 0 378.257 4.299 20 0 GIADRO O=C(Nc1cc(F)cc(F)c1F)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000455544564 822672918 /nfs/dbraw/zinc/67/29/18/822672918.db2.gz PFPFWEXDUBVRFY-NRFANRHFSA-N 1 0 389.421 4.234 20 0 GIADRO COc1ccc([C@H](C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)N(C)C)cc1OC ZINC000180381764 822673085 /nfs/dbraw/zinc/67/30/85/822673085.db2.gz JOBOTUNFHIKFOZ-PMACEKPBSA-N 1 0 396.531 4.343 20 0 GIADRO C[C@H](NC(=O)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)c1ccccc1 ZINC000048578667 822673697 /nfs/dbraw/zinc/67/36/97/822673697.db2.gz RBFCHSADUWEOOZ-SFHVURJKSA-N 1 0 393.531 4.267 20 0 GIADRO C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000455552270 822673939 /nfs/dbraw/zinc/67/39/39/822673939.db2.gz FKEIJHKOYSZFPE-HZPDHXFCSA-N 1 0 377.960 4.490 20 0 GIADRO C[C@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000455560109 822674640 /nfs/dbraw/zinc/67/46/40/822674640.db2.gz LQLDPSDPGBWOHZ-OAHLLOKOSA-N 1 0 397.485 4.295 20 0 GIADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000184680098 822675171 /nfs/dbraw/zinc/67/51/71/822675171.db2.gz LZGVKGSMBAMACX-CKEIUWERSA-N 1 0 394.462 4.222 20 0 GIADRO COc1ccc([C@@H](CNC(=O)Nc2cc(F)cc(F)c2F)[NH+]2CCCC2)cc1 ZINC000455565916 822675511 /nfs/dbraw/zinc/67/55/11/822675511.db2.gz AQUJWESPRJDHKZ-GOSISDBHSA-N 1 0 393.409 4.071 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)Nc1cc(F)cc(F)c1F ZINC000455569939 822676330 /nfs/dbraw/zinc/67/63/30/822676330.db2.gz ULSQGKGBDJXZBZ-CQSZACIVSA-N 1 0 377.410 4.232 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000455571100 822676493 /nfs/dbraw/zinc/67/64/93/822676493.db2.gz YGRJXGJJWOGHNF-MRXNPFEDSA-N 1 0 395.469 4.221 20 0 GIADRO Cc1ccccc1-c1ccc(Cl)c(C(=O)N(C)CCCN2CC[NH+](C)CC2)c1 ZINC000455575301 822677184 /nfs/dbraw/zinc/67/71/84/822677184.db2.gz BCVJGDMKJBKUSQ-UHFFFAOYSA-N 1 0 399.966 4.025 20 0 GIADRO COc1cc(C)c([C@H](C)[NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)cc1OC ZINC000180411106 822677298 /nfs/dbraw/zinc/67/72/98/822677298.db2.gz ZOTHFFSOWGLCLV-SFHVURJKSA-N 1 0 396.531 4.489 20 0 GIADRO C[C@H](NC1CC[NH+](C(C)(C)C)CC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000180416115 822678027 /nfs/dbraw/zinc/67/80/27/822678027.db2.gz QPVQKURNJRDEKT-KRWDZBQOSA-N 1 0 392.609 4.316 20 0 GIADRO CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)c1 ZINC000180421167 822678596 /nfs/dbraw/zinc/67/85/96/822678596.db2.gz SDUNZSNVJPCEBC-SFYKDHMMSA-N 1 0 394.563 4.066 20 0 GIADRO CC[C@@H](OC1CCCCC1)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000180421448 822678891 /nfs/dbraw/zinc/67/88/91/822678891.db2.gz QBVHMCBTFRDCOS-JOCHJYFZSA-N 1 0 387.568 4.283 20 0 GIADRO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000048710763 822679150 /nfs/dbraw/zinc/67/91/50/822679150.db2.gz IYNZFOXQYXGBEN-UHFFFAOYSA-N 1 0 393.441 4.243 20 0 GIADRO CCOc1c(F)cccc1C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000180428984 822680278 /nfs/dbraw/zinc/68/02/78/822680278.db2.gz SFMHUCVKCMBYNL-UHFFFAOYSA-N 1 0 385.483 4.007 20 0 GIADRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)N[C@H](c1ccccc1)C(F)F ZINC000455594091 822680685 /nfs/dbraw/zinc/68/06/85/822680685.db2.gz IAJRDNSJRLDNQT-GOSISDBHSA-N 1 0 393.503 4.266 20 0 GIADRO C[C@@H](CC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)c1cccc(F)c1 ZINC000180433171 822680863 /nfs/dbraw/zinc/68/08/63/822680863.db2.gz IOIKPBLNMVTGFY-SFHVURJKSA-N 1 0 383.511 4.479 20 0 GIADRO COc1ccc(C[NH2+][C@@H](C)c2ccc(OCc3ccncc3)c(OC)c2)cc1O ZINC000048746786 822680910 /nfs/dbraw/zinc/68/09/10/822680910.db2.gz HIUDDCSGRFEBQC-INIZCTEOSA-N 1 0 394.471 4.234 20 0 GIADRO COc1cc(C[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)cc(OC)c1 ZINC000048747508 822680970 /nfs/dbraw/zinc/68/09/70/822680970.db2.gz BNWXQIFIGNRECQ-UHFFFAOYSA-N 1 0 391.393 4.198 20 0 GIADRO Cc1ccccc1C(C)(C)C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180433383 822681098 /nfs/dbraw/zinc/68/10/98/822681098.db2.gz FVARNKNVXOHCFZ-UHFFFAOYSA-N 1 0 379.548 4.433 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000180436056 822681540 /nfs/dbraw/zinc/68/15/40/822681540.db2.gz DNDAPMTYJQGNHE-RTBURBONSA-N 1 0 399.485 4.228 20 0 GIADRO COCCC1(C[NH2+][C@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)CCCCC1 ZINC000184723004 822682074 /nfs/dbraw/zinc/68/20/74/822682074.db2.gz WHXMPZDGEZLBJR-CQSZACIVSA-N 1 0 377.554 4.239 20 0 GIADRO COc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2c(C)oc3ccccc32)c(OC)c1 ZINC000184724733 822682303 /nfs/dbraw/zinc/68/23/03/822682303.db2.gz HQZCFBPDLOZGMW-CQSZACIVSA-N 1 0 382.460 4.265 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1cnc(C(C)(C)C)s1 ZINC000180440991 822682607 /nfs/dbraw/zinc/68/26/07/822682607.db2.gz AYEURVOBEQLHQU-UHFFFAOYSA-N 1 0 386.565 4.214 20 0 GIADRO C[C@@H](CN1CCCC1=O)[NH2+]Cc1ccc(-c2ccccc2Br)s1 ZINC000048780070 822682693 /nfs/dbraw/zinc/68/26/93/822682693.db2.gz UEAWLLFKAOUTMD-ZDUSSCGKSA-N 1 0 393.350 4.278 20 0 GIADRO CCOc1ccccc1CCC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180446535 822683549 /nfs/dbraw/zinc/68/35/49/822683549.db2.gz PGXJJAAGSRQFOP-UHFFFAOYSA-N 1 0 395.547 4.178 20 0 GIADRO COc1ccccc1SC[C@H](C)C[NH2+]C1CCN(c2nccs2)CC1 ZINC000180446655 822683568 /nfs/dbraw/zinc/68/35/68/822683568.db2.gz OWEICWNFWMNIII-OAHLLOKOSA-N 1 0 377.579 4.139 20 0 GIADRO CC[C@@H]([NH2+]CCOc1cccc(NC(C)=O)c1)c1ccccc1OC(F)F ZINC000180447343 822683783 /nfs/dbraw/zinc/68/37/83/822683783.db2.gz UOOLEJYURIXFDL-GOSISDBHSA-N 1 0 378.419 4.366 20 0 GIADRO CC(=O)Nc1cccc(OCC[NH2+][C@H](C)c2cc(Br)ccc2F)c1 ZINC000180448569 822684089 /nfs/dbraw/zinc/68/40/89/822684089.db2.gz CWYCLOICYNPGDN-GFCCVEGCSA-N 1 0 395.272 4.276 20 0 GIADRO CC(=O)Nc1cccc(OCC[NH2+][C@@H](C)c2nc(-c3ccccc3)cs2)c1 ZINC000180448955 822684120 /nfs/dbraw/zinc/68/41/20/822684120.db2.gz YFWWFJJGIWYTFH-HNNXBMFYSA-N 1 0 381.501 4.498 20 0 GIADRO O=C(N[C@H](c1ccccc1)C(F)F)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000455615212 822684699 /nfs/dbraw/zinc/68/46/99/822684699.db2.gz FXGFIFFFYYWHHS-OFNKIYASSA-N 1 0 399.485 4.300 20 0 GIADRO COCc1ccc(CNC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000048826115 822684920 /nfs/dbraw/zinc/68/49/20/822684920.db2.gz ZLSZHDDTUWRKQY-IBGZPJMESA-N 1 0 395.547 4.207 20 0 GIADRO COc1ccc(CCCC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000180452858 822685100 /nfs/dbraw/zinc/68/51/00/822685100.db2.gz VPHPAEKLKWHOGF-UHFFFAOYSA-N 1 0 395.547 4.178 20 0 GIADRO CSc1ccc(C)c(C(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000180453830 822685247 /nfs/dbraw/zinc/68/52/47/822685247.db2.gz GRBHMPBCDOAQLC-UHFFFAOYSA-N 1 0 383.561 4.491 20 0 GIADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)Cc2noc3ccccc23)C1 ZINC000048885811 822687841 /nfs/dbraw/zinc/68/78/41/822687841.db2.gz IRDJGTCVPTUHMM-QZTJIDSGSA-N 1 0 391.515 4.165 20 0 GIADRO C[C@@H](NC(=O)Nc1cc(Cl)ccc1OC(F)(F)F)C1=CC[N@H+](C)CC1 ZINC000455638342 822688547 /nfs/dbraw/zinc/68/85/47/822688547.db2.gz KSWKYRUIWBSPLS-SNVBAGLBSA-N 1 0 377.794 4.011 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+]Cc2sccc2Br)s1 ZINC000180481073 822688992 /nfs/dbraw/zinc/68/89/92/822688992.db2.gz PWKUPQOBMSHCEL-SECBINFHSA-N 1 0 375.357 4.315 20 0 GIADRO Cc1noc(CC[NH2+][C@@H](C)c2cnn(-c3ccc(Cl)cc3Cl)c2C)n1 ZINC000180485332 822689710 /nfs/dbraw/zinc/68/97/10/822689710.db2.gz MZSWWIRXCBVOOV-JTQLQIEISA-N 1 0 380.279 4.072 20 0 GIADRO CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCC(C[NH+](CC)CC)CC2)c1C ZINC000049078282 822692468 /nfs/dbraw/zinc/69/24/68/822692468.db2.gz YCLQSBOKSOQROR-PXLXIMEGSA-N 1 0 384.568 4.002 20 0 GIADRO C[C@H]([NH2+]CCCc1ccc(Cl)cc1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000180506265 822692757 /nfs/dbraw/zinc/69/27/57/822692757.db2.gz SXOBQTQLISBVHT-INIZCTEOSA-N 1 0 392.952 4.163 20 0 GIADRO CCC(C)(C)OCc1cccc(NC(=O)Nc2ccnn2CC[NH+](C)C)c1C ZINC000455657990 822693274 /nfs/dbraw/zinc/69/32/74/822693274.db2.gz MNJBBGOPGDWBNR-UHFFFAOYSA-N 1 0 387.528 4.102 20 0 GIADRO Cn1cc(C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2ccccc2)c(-c2ccncc2)n1 ZINC000180510612 822694008 /nfs/dbraw/zinc/69/40/08/822694008.db2.gz ZFBQBUWRNWUJCE-GOTSBHOMSA-N 1 0 390.531 4.350 20 0 GIADRO CC(C)c1ccc([C@@H](NC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)C(C)C)cc1 ZINC000049201810 822695021 /nfs/dbraw/zinc/69/50/21/822695021.db2.gz DGORMPKZKDTDJV-QFIPXVFZSA-N 1 0 395.547 4.324 20 0 GIADRO Cc1nc(C(=O)Nc2cccc(OCCC[NH+](C)C)c2)c(-c2ccccc2)o1 ZINC000184818149 822695238 /nfs/dbraw/zinc/69/52/38/822695238.db2.gz CRSCOSLQOAPYGH-UHFFFAOYSA-N 1 0 379.460 4.233 20 0 GIADRO C[C@@H](CC(=O)NC1CC[NH+](C2CCCC2)CC1)C(=O)c1ccc(Cl)cc1 ZINC000180521036 822695395 /nfs/dbraw/zinc/69/53/95/822695395.db2.gz CALHBUZZSKPQHN-HNNXBMFYSA-N 1 0 376.928 4.072 20 0 GIADRO Cc1ccc([C@@H]([NH2+]CCc2ccc(C)nc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000180520043 822695403 /nfs/dbraw/zinc/69/54/03/822695403.db2.gz PWTZUZNTMCKFCN-HSZRJFAPSA-N 1 0 394.540 4.024 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1ccc2cc[nH]c2c1)c1cccc(C(F)(F)F)c1 ZINC000184831403 822696951 /nfs/dbraw/zinc/69/69/51/822696951.db2.gz TZWTXTSHSJCWHN-GOSISDBHSA-N 1 0 375.394 4.219 20 0 GIADRO C[C@H]([NH2+]CC(=O)N1CCc2sccc2C1)c1ccc(-c2ccncc2)cc1 ZINC000180529561 822696964 /nfs/dbraw/zinc/69/69/64/822696964.db2.gz NEVGUDAEIMOGHA-INIZCTEOSA-N 1 0 377.513 4.046 20 0 GIADRO Cc1nc(CCCC(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)cs1 ZINC000184836255 822697606 /nfs/dbraw/zinc/69/76/06/822697606.db2.gz HBOXBYRSTHVJNW-QGZVFWFLSA-N 1 0 399.482 4.212 20 0 GIADRO C[C@H]([NH2+]C[C@H](c1cccc(Cl)c1)N1CCOCC1)c1cccnc1Cl ZINC000180535713 822698019 /nfs/dbraw/zinc/69/80/19/822698019.db2.gz CFSWUDYYQMALNI-KBXCAEBGSA-N 1 0 380.319 4.113 20 0 GIADRO C[C@@H]([NH2+]C[C@H](c1cccc(Cl)c1)N1CCOCC1)c1cccnc1Cl ZINC000180535733 822698057 /nfs/dbraw/zinc/69/80/57/822698057.db2.gz CFSWUDYYQMALNI-RDTXWAMCSA-N 1 0 380.319 4.113 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)Nc2cc3c(cn2)CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000455677176 822698348 /nfs/dbraw/zinc/69/83/48/822698348.db2.gz XJSJODGESRYTMM-UWJYYQICSA-N 1 0 378.520 4.087 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1ccc([C@@H]2CCOC2)cc1 ZINC000455679474 822698941 /nfs/dbraw/zinc/69/89/41/822698941.db2.gz ZOUAXNXVWBECOD-OAQYLSRUSA-N 1 0 381.520 4.354 20 0 GIADRO C[C@H]([NH2+]C[C@H](c1ccco1)N1CCCC1)c1cc(Br)ccc1O ZINC000184844893 822699362 /nfs/dbraw/zinc/69/93/62/822699362.db2.gz SETIRHXDWWEBTL-XJKSGUPXSA-N 1 0 379.298 4.235 20 0 GIADRO CC(C)c1ccc(NC(=O)C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000049395270 822700206 /nfs/dbraw/zinc/70/02/06/822700206.db2.gz MBRVNROVLOLSFN-UHFFFAOYSA-N 1 0 393.531 4.051 20 0 GIADRO O[C@H](C[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1)COCc1cccs1 ZINC000180569002 822704003 /nfs/dbraw/zinc/70/40/03/822704003.db2.gz QPZCHEHOXGATFS-ZBFHGGJFSA-N 1 0 377.403 4.048 20 0 GIADRO Cc1c(Cl)cncc1NC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000455696162 822704897 /nfs/dbraw/zinc/70/48/97/822704897.db2.gz OCGPCRRQNXUQGM-QZTJIDSGSA-N 1 0 384.911 4.029 20 0 GIADRO O=C1O[C@H](C[NH2+][C@@H](CC(F)(F)F)c2ccc(F)cc2)CN1c1ccccc1 ZINC000180580083 822705679 /nfs/dbraw/zinc/70/56/79/822705679.db2.gz UKLRJQOUKORQTG-SJORKVTESA-N 1 0 382.357 4.434 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc(Br)c(Cl)c2Cl)C1 ZINC000184877747 822705763 /nfs/dbraw/zinc/70/57/63/822705763.db2.gz LTFOBEMEFGWBOL-VIFPVBQESA-N 1 0 395.128 4.219 20 0 GIADRO O[C@H](C[N@H+](Cc1ccccc1)Cc1ccc(N2CCCC2)nc1)c1ccsc1 ZINC000180583168 822706141 /nfs/dbraw/zinc/70/61/41/822706141.db2.gz FYJFKJOUEZTEDK-JOCHJYFZSA-N 1 0 393.556 4.479 20 0 GIADRO C[C@@H](NCC(=O)NC1(c2ccccc2)CCC1)c1ncc(-c2ccccc2)o1 ZINC000184880656 822706432 /nfs/dbraw/zinc/70/64/32/822706432.db2.gz HYSPABRFLGTWDC-QGZVFWFLSA-N 1 0 375.472 4.188 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)N(C)[C@@H](C)c3ccc(C)cc3)c2)CC1 ZINC000184884228 822706780 /nfs/dbraw/zinc/70/67/80/822706780.db2.gz JHLNDLFPZLQPGA-IBGZPJMESA-N 1 0 380.536 4.362 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Nc2ccccc2OCCF)C1 ZINC000455709530 822709277 /nfs/dbraw/zinc/70/92/77/822709277.db2.gz CJPFVERYFDOMHQ-QZTJIDSGSA-N 1 0 377.504 4.153 20 0 GIADRO O[C@@H](C[C@H]1CCC[N@@H+]1Cc1ccccc1OCc1ccccn1)c1ccco1 ZINC000180602567 822709455 /nfs/dbraw/zinc/70/94/55/822709455.db2.gz YSLVPMOIQLYGNC-RTWAWAEBSA-N 1 0 378.472 4.342 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)N1CCC[C@H]1c1ccsc1)[NH+]1CCCC1 ZINC000049790210 822709812 /nfs/dbraw/zinc/70/98/12/822709812.db2.gz TWGDINBVTBNIQE-VQTJNVASSA-N 1 0 399.560 4.440 20 0 GIADRO CCC(CC)c1cc(CNC(=O)Nc2cccc(N3CC[NH+](CC)CC3)c2)on1 ZINC000184901201 822710095 /nfs/dbraw/zinc/71/00/95/822710095.db2.gz HZFDMNAPUBPBHL-UHFFFAOYSA-N 1 0 399.539 4.042 20 0 GIADRO CCOc1cc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)ccc1OC(F)F ZINC000180604494 822710131 /nfs/dbraw/zinc/71/01/31/822710131.db2.gz CMZPVOVQLVMWFM-HOTGVXAUSA-N 1 0 381.419 4.368 20 0 GIADRO O=C(NCCC[NH+]1CCCCCC1)Nc1cccc(OCc2cccnc2)c1 ZINC000049799488 822710138 /nfs/dbraw/zinc/71/01/38/822710138.db2.gz XKSNQTMOXKVOPQ-UHFFFAOYSA-N 1 0 382.508 4.048 20 0 GIADRO COc1cccc([C@H](CNC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)[NH+](C)C)c1 ZINC000049798622 822710153 /nfs/dbraw/zinc/71/01/53/822710153.db2.gz UYBBVHAIRNVXBZ-JXFKEZNVSA-N 1 0 395.503 4.447 20 0 GIADRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)Nc2ccccc2OCCF)CC1 ZINC000455715220 822711133 /nfs/dbraw/zinc/71/11/33/822711133.db2.gz LQQXIOOICGYRCZ-UHFFFAOYSA-N 1 0 399.510 4.411 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(Cn2cccn2)cc1)c1ccc(Br)cc1O ZINC000184920345 822713346 /nfs/dbraw/zinc/71/33/46/822713346.db2.gz YVEUQMKTTMWJRW-AWEZNQCLSA-N 1 0 386.293 4.250 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)Nc1ccccc1OCCF ZINC000455723589 822714001 /nfs/dbraw/zinc/71/40/01/822714001.db2.gz MZICZULESOQBGI-GOSISDBHSA-N 1 0 385.483 4.163 20 0 GIADRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000180621033 822714340 /nfs/dbraw/zinc/71/43/40/822714340.db2.gz NKSPLNHTVYWJAR-FQEVSTJZSA-N 1 0 395.507 4.135 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(C(F)(F)F)cc1O ZINC000180622554 822714557 /nfs/dbraw/zinc/71/45/57/822714557.db2.gz VAZHJWFNWIVEJU-MRXNPFEDSA-N 1 0 392.421 4.005 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)N(C)[C@@H](C)c3ccccc3F)c2)CC1 ZINC000184928815 822714619 /nfs/dbraw/zinc/71/46/19/822714619.db2.gz KLMGALULSZAJIA-KRWDZBQOSA-N 1 0 384.499 4.193 20 0 GIADRO CC(C)n1cnnc1[C@@H]1CCC[N@H+](Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC000180623588 822714667 /nfs/dbraw/zinc/71/46/67/822714667.db2.gz WOUFDPUSOHMUIP-LJQANCHMSA-N 1 0 384.524 4.194 20 0 GIADRO O=C(NCc1ccnc(Oc2ccccc2)c1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000050032149 822715289 /nfs/dbraw/zinc/71/52/89/822715289.db2.gz BSCRNKBBHKPGAM-JOCHJYFZSA-N 1 0 387.483 4.155 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccccc1OCCF ZINC000455727731 822715320 /nfs/dbraw/zinc/71/53/20/822715320.db2.gz XZHXGQCTGOVAMK-HKUYNNGSSA-N 1 0 385.483 4.067 20 0 GIADRO Cc1ccc(C(=O)Nc2ccc(OCC[NH+]3CCCC3)c(C)c2)c(C2CC2)n1 ZINC000455730265 822715832 /nfs/dbraw/zinc/71/58/32/822715832.db2.gz KPNURSIQPDVVBF-UHFFFAOYSA-N 1 0 379.504 4.303 20 0 GIADRO Cc1sc([C@H](C)[NH2+]CCCN2CCOCC2)nc1-c1ccc(Cl)cc1 ZINC000184948719 822717232 /nfs/dbraw/zinc/71/72/32/822717232.db2.gz YQFLYBIYCGIJOQ-AWEZNQCLSA-N 1 0 379.957 4.145 20 0 GIADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2cc(C)c(C)cc2Cl)[C@H](C)C1 ZINC000455738126 822717422 /nfs/dbraw/zinc/71/74/22/822717422.db2.gz YSPYNOXHYWZCLQ-AEFFLSMTSA-N 1 0 381.948 4.215 20 0 GIADRO CCCn1ncc(NC(=O)N[C@H]2CCCC[C@H]2C[NH+](CC)CC)c1C1CC1 ZINC000455746414 822718925 /nfs/dbraw/zinc/71/89/25/822718925.db2.gz DZCGYGKORKTGKH-ROUUACIJSA-N 1 0 375.561 4.193 20 0 GIADRO CCSCc1cc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)no1 ZINC000184976172 822720595 /nfs/dbraw/zinc/72/05/95/822720595.db2.gz BSBJKSGDALKYOQ-RXVVDRJESA-N 1 0 399.560 4.054 20 0 GIADRO CCSCc1cc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)no1 ZINC000184976149 822720616 /nfs/dbraw/zinc/72/06/16/822720616.db2.gz BSBJKSGDALKYOQ-GHTZIAJQSA-N 1 0 399.560 4.054 20 0 GIADRO C[C@H](Cc1ccsc1)NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000050157552 822720630 /nfs/dbraw/zinc/72/06/30/822720630.db2.gz XDYLIEXBHOTCKG-OAHLLOKOSA-N 1 0 391.968 4.296 20 0 GIADRO CSc1cccc(C)c1NC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000184984952 822721749 /nfs/dbraw/zinc/72/17/49/822721749.db2.gz SPEUBOOSOPDOCK-INIZCTEOSA-N 1 0 384.549 4.459 20 0 GIADRO COCc1ccc(CNC(=O)C[NH2+][C@H](Cc2ccccc2)c2cccs2)cc1 ZINC000184986811 822722205 /nfs/dbraw/zinc/72/22/05/822722205.db2.gz ITSGEIDZWAAGFF-OAQYLSRUSA-N 1 0 394.540 4.084 20 0 GIADRO Cc1nc(C)c([C@H](C)[NH2+][C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)s1 ZINC000184995870 822723269 /nfs/dbraw/zinc/72/32/69/822723269.db2.gz BJCUMRQLGVZGAE-FZMZJTMJSA-N 1 0 383.439 4.235 20 0 GIADRO O=C(C[NH2+][C@@H](Cc1ccccc1)c1cccs1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000184998055 822723616 /nfs/dbraw/zinc/72/36/16/822723616.db2.gz KGAZHRZGDURNKE-SJORKVTESA-N 1 0 396.478 4.422 20 0 GIADRO Cc1nc2c(s1)[C@H]([NH2+][C@H]1CCN(c3ccccc3C(F)(F)F)C1=O)CCC2 ZINC000185001851 822723984 /nfs/dbraw/zinc/72/39/84/822723984.db2.gz PPZYPCIMJPOZPU-CABCVRRESA-N 1 0 395.450 4.243 20 0 GIADRO C[C@@H]([NH2+]C1CCC(O)(c2cccnc2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000185006586 822724508 /nfs/dbraw/zinc/72/45/08/822724508.db2.gz YHJNZGYBWLJJGB-ZCGYKAAXSA-N 1 0 380.410 4.461 20 0 GIADRO Cn1cc(-c2cc(C[N@@H+]3CCCCC[C@@H]3C[C@H](O)c3cccs3)on2)cn1 ZINC000185020311 822726154 /nfs/dbraw/zinc/72/61/54/822726154.db2.gz MBAOXFYSXQPOFL-APWZRJJASA-N 1 0 386.521 4.005 20 0 GIADRO CCOc1ccc(Cl)c(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000455787500 822726665 /nfs/dbraw/zinc/72/66/65/822726665.db2.gz YTMHGQLFMCHRLA-AUUYWEPGSA-N 1 0 377.916 4.219 20 0 GIADRO Cc1ccc(CCC(=O)N2CCC(C[NH+]3CCCC3)CC2)c(Br)c1 ZINC000185026274 822726807 /nfs/dbraw/zinc/72/68/07/822726807.db2.gz IGHGMUQXAHRMPB-UHFFFAOYSA-N 1 0 393.369 4.025 20 0 GIADRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)Nc1ncc(C2CCOCC2)s1 ZINC000455792962 822727563 /nfs/dbraw/zinc/72/75/63/822727563.db2.gz RCVSQNZCQZGERX-IAGOWNOFSA-N 1 0 394.585 4.059 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H](C)c2cn(C)c3ccccc23)CC1 ZINC000185035790 822727684 /nfs/dbraw/zinc/72/76/84/822727684.db2.gz QDNRAVRABAFNNO-LJQANCHMSA-N 1 0 389.543 4.371 20 0 GIADRO CC(C)C(=O)c1ccc(NC(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc1 ZINC000455798265 822728473 /nfs/dbraw/zinc/72/84/73/822728473.db2.gz PMUDPMKVRCHQCK-KRWDZBQOSA-N 1 0 394.519 4.267 20 0 GIADRO C[NH+](C)CCOc1ccc(CCNC(=O)Nc2ccccc2C(C)(F)F)cc1 ZINC000455800532 822728880 /nfs/dbraw/zinc/72/88/80/822728880.db2.gz FUPCDZMVPVYSJS-UHFFFAOYSA-N 1 0 391.462 4.103 20 0 GIADRO O=C(c1cncnc1C1CC1)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000455803251 822729156 /nfs/dbraw/zinc/72/91/56/822729156.db2.gz VTYNZUHDJGGGQX-UHFFFAOYSA-N 1 0 390.531 4.015 20 0 GIADRO COc1cc(OC)c(C[NH2+][C@H](C)c2ccc(Br)cc2O)c(OC)c1 ZINC000185066251 822731707 /nfs/dbraw/zinc/73/17/07/822731707.db2.gz DTPCSFGCCSUKDI-LLVKDONJSA-N 1 0 396.281 4.031 20 0 GIADRO O=C(Nc1ccccc1)C1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1 ZINC000050509787 822732148 /nfs/dbraw/zinc/73/21/48/822732148.db2.gz PLASLSFVBNHUPL-UHFFFAOYSA-N 1 0 396.516 4.081 20 0 GIADRO CC[C@@H](C)Oc1cc(CNC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)ccn1 ZINC000455835342 822733964 /nfs/dbraw/zinc/73/39/64/822733964.db2.gz AHMWHUKETWQUGN-QRWLVFNGSA-N 1 0 382.508 4.130 20 0 GIADRO C[NH+](C)C[C@@H]1CCN(C(=O)Nc2ccc(Cl)cc2OCc2ccccc2)C1 ZINC000455836844 822734389 /nfs/dbraw/zinc/73/43/89/822734389.db2.gz DXFZEHAWSKLSTQ-KRWDZBQOSA-N 1 0 387.911 4.334 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC[C@@H]3CCCN(c4ccccc4)C3)ccc21 ZINC000455841651 822735388 /nfs/dbraw/zinc/73/53/88/822735388.db2.gz DWZLKGBKXVEASQ-FDDCHVKYSA-N 1 0 392.547 4.274 20 0 GIADRO CC[C@@H](CO)N(Cc1ccccc1)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455843277 822735702 /nfs/dbraw/zinc/73/57/02/822735702.db2.gz GHXUGVZSHYRSLO-RBBKRZOGSA-N 1 0 381.520 4.041 20 0 GIADRO C[C@H]1CN(c2cccc(F)c2)CCN1C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455847799 822736360 /nfs/dbraw/zinc/73/63/60/822736360.db2.gz JFGUJZDTZVTJQQ-KSFYIVLOSA-N 1 0 396.510 4.117 20 0 GIADRO CN(C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)[C@@H](CO)c1ccc(Cl)cc1 ZINC000455851824 822737040 /nfs/dbraw/zinc/73/70/40/822737040.db2.gz LIXAKDXNGFOQQR-UXHICEINSA-N 1 0 387.911 4.086 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCc3ccc(OC(F)F)cc3)ccc21 ZINC000455854954 822737701 /nfs/dbraw/zinc/73/77/01/822737701.db2.gz HBYWPDPVUZOIBB-GOSISDBHSA-N 1 0 375.419 4.159 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCCc3ccc(F)c(F)c3F)ccc21 ZINC000455858232 822738233 /nfs/dbraw/zinc/73/82/33/822738233.db2.gz PEBUTBNXZHDCNV-QGZVFWFLSA-N 1 0 377.410 4.017 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N(Cc3ccccc3)CC3(CO)CC3)ccc21 ZINC000455858854 822738384 /nfs/dbraw/zinc/73/83/84/822738384.db2.gz PIOMUVRIEWXYQA-QFIPXVFZSA-N 1 0 393.531 4.042 20 0 GIADRO COc1ccc(O)c([C@@H](C)[NH2+]CC2(c3cccc(Cl)c3)CCOCC2)c1 ZINC000185113538 822738773 /nfs/dbraw/zinc/73/87/73/822738773.db2.gz NRDZJFPXOXBPCN-OAHLLOKOSA-N 1 0 375.896 4.453 20 0 GIADRO Cc1ccc(C2CCN(C(=O)Nc3ccc4c(c3)CC[C@@H]4[NH+](C)C)CC2)cn1 ZINC000455862308 822738933 /nfs/dbraw/zinc/73/89/33/822738933.db2.gz RJOKCKVJWCLDPK-QFIPXVFZSA-N 1 0 378.520 4.350 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCO[C@H](c4ccc(Cl)cc4)C3)ccc21 ZINC000455865136 822739241 /nfs/dbraw/zinc/73/92/41/822739241.db2.gz TZMVMNWNSDPYPO-RTWAWAEBSA-N 1 0 399.922 4.494 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CC4(CCOCC4)[C@@H]4CCC[C@@H]43)ccc21 ZINC000455867901 822739714 /nfs/dbraw/zinc/73/97/14/822739714.db2.gz VKZIINDGNPFYHS-NJYVYQBISA-N 1 0 383.536 4.049 20 0 GIADRO Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455868754 822739871 /nfs/dbraw/zinc/73/98/71/822739871.db2.gz WCMJIMHLFHPTQG-VLIAUNLRSA-N 1 0 383.540 4.378 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N[C@@H]3CCc4cc(F)c(F)c(F)c43)ccc21 ZINC000455870339 822740152 /nfs/dbraw/zinc/74/01/52/822740152.db2.gz XGWQLGSJBHJAKY-SJORKVTESA-N 1 0 389.421 4.462 20 0 GIADRO COc1ccc2c(c1)C1(CC1)CN(C(=O)Nc1ccc3c(c1)CC[C@@H]3[NH+](C)C)C2 ZINC000455870766 822740326 /nfs/dbraw/zinc/74/03/26/822740326.db2.gz XKYDQSMQTVRXKV-QFIPXVFZSA-N 1 0 391.515 4.323 20 0 GIADRO C[C@H](NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)c1ccc2c(c1)CCC(=O)N2 ZINC000455873748 822740597 /nfs/dbraw/zinc/74/05/97/822740597.db2.gz ABPCVYSDDKXDNT-LHSJRXKWSA-N 1 0 392.503 4.003 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)NC[C@H]3CCN(c4ccccc4F)C3)ccc21 ZINC000455872774 822740659 /nfs/dbraw/zinc/74/06/59/822740659.db2.gz ZCYWIIKFANYDTK-IERDGZPVSA-N 1 0 396.510 4.023 20 0 GIADRO Cc1nc(NC(=O)N2CCC[C@H](c3ncc[nH]3)C2)sc1Cc1cccc(F)c1 ZINC000455886570 822742556 /nfs/dbraw/zinc/74/25/56/822742556.db2.gz HLVBWOSGXOLCDO-HNNXBMFYSA-N 1 0 399.495 4.316 20 0 GIADRO COc1cccc([C@H](CNC(=O)Nc2scnc2C(C)C)[NH+]2CCCC2)c1 ZINC000455888545 822742954 /nfs/dbraw/zinc/74/29/54/822742954.db2.gz GLHABWKYEGOIIE-KRWDZBQOSA-N 1 0 388.537 4.234 20 0 GIADRO CCCNC(=O)[C@H]1CCC[N@@H+]([C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)C1 ZINC000050995105 822744010 /nfs/dbraw/zinc/74/40/10/822744010.db2.gz MJKMBXCIQRSMAV-RXVVDRJESA-N 1 0 393.531 4.238 20 0 GIADRO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C(C)C)C1 ZINC000051053603 822745130 /nfs/dbraw/zinc/74/51/30/822745130.db2.gz NGXNTBBJDBYZFG-FHWLQOOXSA-N 1 0 387.568 4.154 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)NCc3cc(Br)cs3)ccc21 ZINC000455902862 822745423 /nfs/dbraw/zinc/74/54/23/822745423.db2.gz GKDFISGIXSHLJS-INIZCTEOSA-N 1 0 394.338 4.381 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCc3ccc(Br)s3)ccc21 ZINC000455902915 822745579 /nfs/dbraw/zinc/74/55/79/822745579.db2.gz GPDZFXOGDONQPZ-OAHLLOKOSA-N 1 0 394.338 4.381 20 0 GIADRO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000051062033 822745601 /nfs/dbraw/zinc/74/56/01/822745601.db2.gz XHRZOMLFAYPJIE-MRXNPFEDSA-N 1 0 375.513 4.078 20 0 GIADRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)c2cnn(C(C)(C)C)c2)cc1 ZINC000051066937 822745992 /nfs/dbraw/zinc/74/59/92/822745992.db2.gz AONXWZHOUQTABY-UHFFFAOYSA-N 1 0 390.531 4.297 20 0 GIADRO C[N@@H+](CC(=O)NC1(c2ccccc2)CCC1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132170 822746978 /nfs/dbraw/zinc/74/69/78/822746978.db2.gz FBYLMADXFNMXOA-XUZZJYLKSA-N 1 0 392.543 4.282 20 0 GIADRO COc1ccc(C[NH2+][C@@H]2CCCO[C@H]2CC(C)C)cc1OCc1cccnc1 ZINC000185189133 822747125 /nfs/dbraw/zinc/74/71/25/822747125.db2.gz ODVARRLQTZYVLT-IRLDBZIGSA-N 1 0 384.520 4.353 20 0 GIADRO COc1ccc(-c2noc(C[N@H+](C)C[C@H]3CCCO[C@@H]3c3ccccc3)n2)cc1 ZINC000051133197 822747437 /nfs/dbraw/zinc/74/74/37/822747437.db2.gz IDTWJFRTRQNNNW-DENIHFKCSA-N 1 0 393.487 4.345 20 0 GIADRO C[N@@H+](CC(=O)NCc1cccc(Cl)c1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133218 822747451 /nfs/dbraw/zinc/74/74/51/822747451.db2.gz XYXJRFZDCYMXJW-DENIHFKCSA-N 1 0 386.923 4.056 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N(Cc3ccccc3)C[C@H]3CCCO3)ccc21 ZINC000455912365 822747890 /nfs/dbraw/zinc/74/78/90/822747890.db2.gz JHQYBTREWWXPNC-GGAORHGYSA-N 1 0 393.531 4.449 20 0 GIADRO CCN(C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)[C@@H](COC)Cc1ccccc1 ZINC000455916832 822748900 /nfs/dbraw/zinc/74/89/00/822748900.db2.gz KOJHFYBZNWLYRG-FYYLOGMGSA-N 1 0 395.547 4.347 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCc3cccc(OC(C)(C)C)n3)ccc21 ZINC000455933180 822752256 /nfs/dbraw/zinc/75/22/56/822752256.db2.gz QGXRRFHGXKYDRX-LJQANCHMSA-N 1 0 382.508 4.130 20 0 GIADRO Cc1cc([C@H]2CN(C(=O)Nc3ccc4c(c3)CC[C@H]4[NH+](C)C)CCO2)ccc1F ZINC000455933194 822752346 /nfs/dbraw/zinc/75/23/46/822752346.db2.gz QJLPJOADSJVHDU-FGZHOGPDSA-N 1 0 397.494 4.288 20 0 GIADRO C[C@H](CC(F)(F)F)NC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000455936647 822753088 /nfs/dbraw/zinc/75/30/88/822753088.db2.gz CNMVHIMMGVVZPY-LLVKDONJSA-N 1 0 393.837 4.275 20 0 GIADRO CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000051270781 822753227 /nfs/dbraw/zinc/75/32/27/822753227.db2.gz FRAMTYGBODDISG-GOTSBHOMSA-N 1 0 395.547 4.058 20 0 GIADRO CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000051270783 822753237 /nfs/dbraw/zinc/75/32/37/822753237.db2.gz FRAMTYGBODDISG-PKTZIBPZSA-N 1 0 395.547 4.058 20 0 GIADRO C[C@H]1CCN(C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)C[C@H]1C ZINC000455941649 822754253 /nfs/dbraw/zinc/75/42/53/822754253.db2.gz JOBIHXWOLNCPAJ-LSDHHAIUSA-N 1 0 379.932 4.323 20 0 GIADRO CCOC(=O)C[C@H](NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)c1ccccc1 ZINC000455942183 822754461 /nfs/dbraw/zinc/75/44/61/822754461.db2.gz UWARSRYQHXIBPJ-LEWJYISDSA-N 1 0 395.503 4.052 20 0 GIADRO Cc1cc2ncn(C[C@@H](O)C[N@@H+](C)[C@@H](C)c3nc4ccccc4s3)c2cc1C ZINC000051286580 822754507 /nfs/dbraw/zinc/75/45/07/822754507.db2.gz GEMTXHINKGSQPC-IRXDYDNUSA-N 1 0 394.544 4.317 20 0 GIADRO O=C(c1ccccc1)C1CC[NH+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000051287912 822754511 /nfs/dbraw/zinc/75/45/11/822754511.db2.gz QKQMPNITIRQLSS-LJQANCHMSA-N 1 0 377.406 4.334 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)NCC3(c4ccccc4)CCOCC3)ccc21 ZINC000455943788 822754914 /nfs/dbraw/zinc/75/49/14/822754914.db2.gz VKXYYJSSYXNFTG-QFIPXVFZSA-N 1 0 393.531 4.105 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)N2CC[C@@H]3CCC[C@@H]32)CC1 ZINC000455945448 822755393 /nfs/dbraw/zinc/75/53/93/822755393.db2.gz OIHQGVCOTFDWPG-KSSFIOAISA-N 1 0 377.916 4.219 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)NCCCC(C)(F)F)CC1 ZINC000455946999 822755886 /nfs/dbraw/zinc/75/58/86/822755886.db2.gz QTVIUTZICIUJHC-UHFFFAOYSA-N 1 0 389.874 4.370 20 0 GIADRO CCOc1cc(C[N@H+](C)C[C@H](O)c2c(F)cccc2F)ccc1OC(F)F ZINC000051323854 822756016 /nfs/dbraw/zinc/75/60/16/822756016.db2.gz ODEMBHDBZXMRKC-HNNXBMFYSA-N 1 0 387.373 4.130 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)N2C[C@H]3CCC[C@@H]3C2)CC1 ZINC000455948641 822756192 /nfs/dbraw/zinc/75/61/92/822756192.db2.gz UKBYVDWECYWLAV-HUUCEWRRSA-N 1 0 377.916 4.077 20 0 GIADRO C[C@@H](CNC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1)C(F)(F)F ZINC000455949092 822756398 /nfs/dbraw/zinc/75/63/98/822756398.db2.gz VTXKLBUUWCIQJJ-NSHDSACASA-N 1 0 393.837 4.133 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)N2C[C@@H]3CCCC[C@H]3C2)CC1 ZINC000455950141 822756660 /nfs/dbraw/zinc/75/66/60/822756660.db2.gz XSAQTQBVOYBHSM-HOTGVXAUSA-N 1 0 391.943 4.467 20 0 GIADRO Fc1cc(C[NH2+][C@@H](c2ccccc2)C2CCCCC2)cnc1N1CCOCC1 ZINC000185266684 822756915 /nfs/dbraw/zinc/75/69/15/822756915.db2.gz QXQLSQGZBLMMRH-QFIPXVFZSA-N 1 0 383.511 4.469 20 0 GIADRO Fc1ccccc1[C@@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)C1CCCC1 ZINC000185266781 822756935 /nfs/dbraw/zinc/75/69/35/822756935.db2.gz KGZXQMZYNIBGHY-NRFANRHFSA-N 1 0 387.474 4.218 20 0 GIADRO Cc1cc2cc([C@@H](C)[NH2+]Cc3cccc(N4CCCS4(=O)=O)c3)oc2cc1C ZINC000185289757 822760142 /nfs/dbraw/zinc/76/01/42/822760142.db2.gz ZAVULCLGVJNFQY-QGZVFWFLSA-N 1 0 398.528 4.440 20 0 GIADRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)ccc1OC ZINC000185289579 822760181 /nfs/dbraw/zinc/76/01/81/822760181.db2.gz XMLUOMUFTFBLNT-OAHLLOKOSA-N 1 0 389.839 4.228 20 0 GIADRO Cc1[nH]c2ccccc2c1C1CC[NH+](C[C@@H](O)COCc2cccs2)CC1 ZINC000051473268 822761493 /nfs/dbraw/zinc/76/14/93/822761493.db2.gz RURKSAYDGDWMLB-GOSISDBHSA-N 1 0 384.545 4.295 20 0 GIADRO CCOCCOc1cc(C)ccc1C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000185305380 822762663 /nfs/dbraw/zinc/76/26/63/822762663.db2.gz ZQWVRKQQFSILSM-UHFFFAOYSA-N 1 0 378.856 4.262 20 0 GIADRO O[C@@H](C[NH+]1CCC([C@H](O)c2ccccc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000051531689 822764633 /nfs/dbraw/zinc/76/46/33/822764633.db2.gz IOTTXDWGPQTAAI-VQTJNVASSA-N 1 0 379.422 4.184 20 0 GIADRO COc1ccc(C[C@@H](C)C[NH2+][C@H](c2nc(-c3cccnc3)no2)C(C)C)cc1F ZINC000185317352 822764830 /nfs/dbraw/zinc/76/48/30/822764830.db2.gz NRRYFTSWDVQVPP-QRWLVFNGSA-N 1 0 398.482 4.445 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccc(OCc3ccccc3F)cc2)CC[N@@H+]1C ZINC000185317858 822765041 /nfs/dbraw/zinc/76/50/41/822765041.db2.gz VYOULKNBFOSECS-XLIONFOSSA-N 1 0 399.510 4.029 20 0 GIADRO CC(C)[NH+]1CCC(N[C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000174295050 822765455 /nfs/dbraw/zinc/76/54/55/822765455.db2.gz MQPHCGZNERKOHL-ZDUSSCGKSA-N 1 0 382.430 4.279 20 0 GIADRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)c1sccc1Br)C1CC1 ZINC000185322029 822765493 /nfs/dbraw/zinc/76/54/93/822765493.db2.gz AMJBDFHTEDMBAT-INIZCTEOSA-N 1 0 393.350 4.151 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)c1cccnc1)c1ccc(C(F)(F)F)cc1 ZINC000174295575 822765678 /nfs/dbraw/zinc/76/56/78/822765678.db2.gz RWMDLGGDNICOED-HNAYVOBHSA-N 1 0 393.453 4.403 20 0 GIADRO CC(C)[NH+]1CCC(N[C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000174296196 822765902 /nfs/dbraw/zinc/76/59/02/822765902.db2.gz CEAYRMMTFQCJRS-SFHVURJKSA-N 1 0 381.520 4.268 20 0 GIADRO C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)c1ccc(Cl)c2ccccc21 ZINC000185322292 822765897 /nfs/dbraw/zinc/76/58/97/822765897.db2.gz XMNPCOHAUQTLER-VFNWGFHPSA-N 1 0 386.923 4.314 20 0 GIADRO C[C@H](c1ccc(C(=O)N[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc1)C(F)(F)F ZINC000456014535 822766509 /nfs/dbraw/zinc/76/65/09/822766509.db2.gz ZJHAQTAXYIJSGV-MDASCCDHSA-N 1 0 376.422 4.180 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)NC(c2ccc(F)cc2)c2ccc(F)cc2)CC[N@@H+]1C ZINC000174302302 822767392 /nfs/dbraw/zinc/76/73/92/822767392.db2.gz OBRLIFQOIOBTQM-FOIQADDNSA-N 1 0 387.474 4.178 20 0 GIADRO COc1cccc([C@H](CNC(=O)Nc2cccc(CC(F)(F)F)c2)[NH+](C)C)c1 ZINC000174305823 822768132 /nfs/dbraw/zinc/76/81/32/822768132.db2.gz LXJZCYYHZGAUMR-SFHVURJKSA-N 1 0 395.425 4.224 20 0 GIADRO CC(=O)Nc1ccc(CC[NH2+][C@@H](C)c2ccc(Br)cc2O)cc1 ZINC000185338352 822768173 /nfs/dbraw/zinc/76/81/73/822768173.db2.gz AXTFFKLISSJLNE-LBPRGKRZSA-N 1 0 377.282 4.006 20 0 GIADRO Cc1cccn2c(C[NH2+]Cc3ccc(NC(=O)c4ccc(F)cc4)cc3)cnc12 ZINC000174326441 822771489 /nfs/dbraw/zinc/77/14/89/822771489.db2.gz RTEKUVDENYOOKZ-UHFFFAOYSA-N 1 0 388.446 4.324 20 0 GIADRO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N(C)[C@H](C)c2ccccc2OC)cc1 ZINC000051649445 822771602 /nfs/dbraw/zinc/77/16/02/822771602.db2.gz JOJUWXBJXIWJNN-DYESRHJHSA-N 1 0 382.504 4.060 20 0 GIADRO Cc1cnc([C@H](NCCC[NH2+][C@@H](c2ncc(C)s2)C2CC2)C2CC2)s1 ZINC000185362480 822771910 /nfs/dbraw/zinc/77/19/10/822771910.db2.gz OEJQUAMZYONPRV-IAGOWNOFSA-N 1 0 376.595 4.388 20 0 GIADRO COc1ccccc1-c1ccc(C[NH2+]C2CCN(CC(F)(F)F)CC2)cc1 ZINC000174329368 822772066 /nfs/dbraw/zinc/77/20/66/822772066.db2.gz UFTNARNMPVLHBF-UHFFFAOYSA-N 1 0 378.438 4.479 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCC(=O)N1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000456056713 822772277 /nfs/dbraw/zinc/77/22/77/822772277.db2.gz HQDTVELPBGLZHO-CYBMUJFWSA-N 1 0 389.487 4.132 20 0 GIADRO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(CSC(F)F)o2)c2ccc(F)cc2C1 ZINC000185366225 822772807 /nfs/dbraw/zinc/77/28/07/822772807.db2.gz VMORXPMQNXCVRP-GOSISDBHSA-N 1 0 398.450 4.458 20 0 GIADRO CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000051675951 822773252 /nfs/dbraw/zinc/77/32/52/822773252.db2.gz NNXAFOGSVMZIGP-SFTDATJTSA-N 1 0 387.568 4.060 20 0 GIADRO COCc1ccccc1NC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000185371801 822773823 /nfs/dbraw/zinc/77/38/23/822773823.db2.gz JCTBDRYTLCAKMI-GOSISDBHSA-N 1 0 395.425 4.276 20 0 GIADRO CCCC[C@@H]([NH2+][C@H](C)c1ccc(-n2cccn2)cc1)C(=O)Nc1cc(C)on1 ZINC000174369350 822779464 /nfs/dbraw/zinc/77/94/64/822779464.db2.gz GZBXPUUPNYXDBU-VQIMIIECSA-N 1 0 381.480 4.017 20 0 GIADRO C[NH+](C)CCn1ccc2ccc(NC(=O)Cc3c[nH]c4cc(F)ccc34)cc21 ZINC000174371392 822779631 /nfs/dbraw/zinc/77/96/31/822779631.db2.gz BXVIWIODZWIBPP-UHFFFAOYSA-N 1 0 378.451 4.005 20 0 GIADRO Cc1sc2[nH]c([C@H](C)[NH2+][C@H](C)c3ccc(-n4cccn4)cc3)nc(=O)c2c1C ZINC000174378549 822780755 /nfs/dbraw/zinc/78/07/55/822780755.db2.gz MTJTWCSSCLIHHY-KGLIPLIRSA-N 1 0 393.516 4.199 20 0 GIADRO Cc1cc(C[NH2+]CCCC(=O)N2Cc3ccccc3C2)c(OC(F)F)cc1C ZINC000174381185 822781276 /nfs/dbraw/zinc/78/12/76/822781276.db2.gz XITWLTCRHOZMRY-UHFFFAOYSA-N 1 0 388.458 4.317 20 0 GIADRO Cc1nn(Cc2ccccc2)c2sc(C(=O)NC(C)(C)CCC[NH+](C)C)cc12 ZINC000456165801 822785583 /nfs/dbraw/zinc/78/55/83/822785583.db2.gz DXWWFQZXLTXBEI-UHFFFAOYSA-N 1 0 398.576 4.305 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)c1ccc(Sc2ccccc2Cl)nn1 ZINC000456174190 822786343 /nfs/dbraw/zinc/78/63/43/822786343.db2.gz RXHISZMHVVYZHL-UHFFFAOYSA-N 1 0 392.956 4.131 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)CCc1ncc(-c2ccccc2Cl)o1 ZINC000456194938 822787603 /nfs/dbraw/zinc/78/76/03/822787603.db2.gz GFOZXRYRZLLDND-UHFFFAOYSA-N 1 0 377.916 4.164 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000456206503 822788086 /nfs/dbraw/zinc/78/80/86/822788086.db2.gz RGLMOSYILRDIJR-UHFFFAOYSA-N 1 0 383.323 4.029 20 0 GIADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2ccccc2Oc2cccnc2)C1 ZINC000052027576 822788454 /nfs/dbraw/zinc/78/84/54/822788454.db2.gz ZXCHISXCTDDRNV-GUDVDZBRSA-N 1 0 379.504 4.351 20 0 GIADRO OCC[C@@H](C[NH2+]Cc1cc(Cl)ccc1OC[C@@H]1CCCO1)c1ccccc1 ZINC000174427009 822788517 /nfs/dbraw/zinc/78/85/17/822788517.db2.gz OQNQMXRRNQJBKO-RXVVDRJESA-N 1 0 389.923 4.154 20 0 GIADRO Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C[NH2+]C[C@H]1CCC[C@@H](O)C1 ZINC000174426559 822788534 /nfs/dbraw/zinc/78/85/34/822788534.db2.gz NIPMTEYCYKLWMJ-DOTOQJQBSA-N 1 0 382.335 4.187 20 0 GIADRO OC1(c2ccccc2)CC[NH+](CCc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000185475674 822788522 /nfs/dbraw/zinc/78/85/22/822788522.db2.gz WGJOIEKBRWXXDR-UHFFFAOYSA-N 1 0 387.907 4.027 20 0 GIADRO Fc1cccc(C2([NH2+]Cc3ccc(Oc4cnccn4)cc3)CCOCC2)c1 ZINC000174428340 822788650 /nfs/dbraw/zinc/78/86/50/822788650.db2.gz KKBHLFCBDUIXFX-UHFFFAOYSA-N 1 0 379.435 4.204 20 0 GIADRO CCSc1cccc(C[NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000185491019 822790142 /nfs/dbraw/zinc/79/01/42/822790142.db2.gz HEGSWGUUBLDGEP-HDICACEKSA-N 1 0 398.572 4.338 20 0 GIADRO COCCc1ccc(OCCCC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)cc1 ZINC000456251751 822790221 /nfs/dbraw/zinc/79/02/21/822790221.db2.gz AGUWVXSOARFCPC-HSZRJFAPSA-N 1 0 396.531 4.222 20 0 GIADRO CC[C@H]1CCC[C@@H]([NH2+]Cc2cccnc2Oc2cccc(S(C)(=O)=O)c2)C1 ZINC000174445807 822790800 /nfs/dbraw/zinc/79/08/00/822790800.db2.gz IBILVFMLFTZMMT-FUHWJXTLSA-N 1 0 388.533 4.336 20 0 GIADRO Cc1oc(-c2ccccc2)nc1C[NH+]1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000052157740 822791592 /nfs/dbraw/zinc/79/15/92/822791592.db2.gz SKDFZBLDIVEEII-UHFFFAOYSA-N 1 0 381.520 4.121 20 0 GIADRO COc1cc(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)sc1Br ZINC000456266286 822791828 /nfs/dbraw/zinc/79/18/28/822791828.db2.gz IBEKKCWYHMBRFX-ZDUSSCGKSA-N 1 0 395.322 4.320 20 0 GIADRO CCc1c(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)cnn1-c1ccc(F)cc1 ZINC000456268309 822792153 /nfs/dbraw/zinc/79/21/53/822792153.db2.gz JJRBAGSDXCJCRJ-QFIPXVFZSA-N 1 0 392.478 4.375 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)c3ccc(Br)cc3F)ccc21 ZINC000456270242 822792291 /nfs/dbraw/zinc/79/22/91/822792291.db2.gz KBNWECALFHWZJS-QGZVFWFLSA-N 1 0 377.257 4.389 20 0 GIADRO Cc1cc(C)n(Cc2cccc(C(=O)Nc3ccc4c(c3)CC[C@H]4[NH+](C)C)c2)n1 ZINC000456274198 822792615 /nfs/dbraw/zinc/79/26/15/822792615.db2.gz MGPCLIMUWWUTSS-HSZRJFAPSA-N 1 0 388.515 4.349 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1c(C)nc(C2CC2)nc1SC ZINC000174457832 822792765 /nfs/dbraw/zinc/79/27/65/822792765.db2.gz YOMAEJLFNAZLDB-UHFFFAOYSA-N 1 0 398.576 4.156 20 0 GIADRO Cc1ccc(COc2ccc(C[NH2+]C3CCC(S(C)(=O)=O)CC3)cc2)cc1 ZINC000174459244 822792968 /nfs/dbraw/zinc/79/29/68/822792968.db2.gz MJXXLYADFFRMBB-UHFFFAOYSA-N 1 0 387.545 4.019 20 0 GIADRO CC(=O)CCc1ccc(O[C@H](C)C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)cc1 ZINC000456276753 822792969 /nfs/dbraw/zinc/79/29/69/822792969.db2.gz OBCBCENTUOYLAI-HXOBKFHXSA-N 1 0 394.515 4.163 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)CCCc3nc(-c4cccs4)no3)ccc21 ZINC000456276685 822792995 /nfs/dbraw/zinc/79/29/95/822792995.db2.gz NWIIFETVOOTMBW-QGZVFWFLSA-N 1 0 396.516 4.308 20 0 GIADRO Cc1noc2nc(C(C)C)cc(C(=O)Nc3ccc4c(c3)CC[C@H]4[NH+](C)C)c12 ZINC000456282012 822793723 /nfs/dbraw/zinc/79/37/23/822793723.db2.gz RWBKCKHFDDVCMR-LJQANCHMSA-N 1 0 378.476 4.456 20 0 GIADRO CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)cc1 ZINC000456285642 822794361 /nfs/dbraw/zinc/79/43/61/822794361.db2.gz UZBFRVBKFVUBSW-SPLOXXLWSA-N 1 0 397.544 4.313 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(C3CC3)nc3onc(CC(C)(C)C)c32)C1 ZINC000174468458 822794437 /nfs/dbraw/zinc/79/44/37/822794437.db2.gz RNCAZUJAFXRIFB-HNNXBMFYSA-N 1 0 398.551 4.103 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)C3(c4ccc(F)cc4)CCOCC3)ccc21 ZINC000456289105 822794589 /nfs/dbraw/zinc/79/45/89/822794589.db2.gz XEXQKAFFGMHFLY-NRFANRHFSA-N 1 0 382.479 4.062 20 0 GIADRO COc1ccccc1-c1ccc(C[NH2+]CCc2cccc(C(=O)N(C)C)c2)cc1 ZINC000174471675 822794711 /nfs/dbraw/zinc/79/47/11/822794711.db2.gz KBQJDQFBEPMTLF-UHFFFAOYSA-N 1 0 388.511 4.396 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)CSc2cccc3cccc(Cl)c32)C1 ZINC000174472984 822794869 /nfs/dbraw/zinc/79/48/69/822794869.db2.gz KQOLAUXHDNFNRX-HNNXBMFYSA-N 1 0 376.953 4.386 20 0 GIADRO CC(C)Oc1ccc(NC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)c(F)c1 ZINC000052265318 822795165 /nfs/dbraw/zinc/79/51/65/822795165.db2.gz KBJFCKJLBOQMOF-IBGZPJMESA-N 1 0 377.435 4.176 20 0 GIADRO CC(C)Oc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)c(F)c1 ZINC000052265337 822795201 /nfs/dbraw/zinc/79/52/01/822795201.db2.gz YGURCFMFCLTUJN-UHFFFAOYSA-N 1 0 391.462 4.348 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2c(C)n(C3CCCC3)c3ccc(OC)cc32)C1 ZINC000174482505 822795392 /nfs/dbraw/zinc/79/53/92/822795392.db2.gz OWDVKLHSFBGODD-GOSISDBHSA-N 1 0 397.563 4.487 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)CCCSc2ccc(Br)cc2)C1 ZINC000174492486 822796392 /nfs/dbraw/zinc/79/63/92/822796392.db2.gz MEGOEUCGHPWGGU-HNNXBMFYSA-N 1 0 399.398 4.122 20 0 GIADRO COc1ccc(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)c(OC(F)F)c1 ZINC000456306398 822796479 /nfs/dbraw/zinc/79/64/79/822796479.db2.gz IIQDCXYCQVTTDO-QGZVFWFLSA-N 1 0 376.403 4.098 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)C3(Cc4cccc(F)c4)CCOCC3)ccc21 ZINC000456306597 822796559 /nfs/dbraw/zinc/79/65/59/822796559.db2.gz IRMWESIJGGYDCN-QFIPXVFZSA-N 1 0 396.506 4.353 20 0 GIADRO CCSc1cccc(CNc2ccc(OCCN3CC[NH+](C)CC3)cc2)c1 ZINC000185560033 822796591 /nfs/dbraw/zinc/79/65/91/822796591.db2.gz IAYMGAZCRSFKIE-UHFFFAOYSA-N 1 0 385.577 4.037 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1nc(-c2ccc(F)cc2)cs1)[C@@H]1COc2ccccc21 ZINC000185566597 822797197 /nfs/dbraw/zinc/79/71/97/822797197.db2.gz XJXXSSWKWGOVLV-GUYCJALGSA-N 1 0 397.475 4.042 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1nc2c(s1)CCCC2 ZINC000174501318 822797463 /nfs/dbraw/zinc/79/74/63/822797463.db2.gz BABCIXMPABKLDW-QGZVFWFLSA-N 1 0 384.549 4.008 20 0 GIADRO CC[C@@](C)([NH2+]Cc1cc(C)c(OCC(=O)OC)c(C)c1)c1nc(C)cs1 ZINC000174506471 822798274 /nfs/dbraw/zinc/79/82/74/822798274.db2.gz SSAJGOPFMFXSLB-HXUWFJFHSA-N 1 0 376.522 4.035 20 0 GIADRO C[NH+](C)CCOc1ccc(CNc2nn3cc(-c4ccccc4)nc3s2)cc1 ZINC000052408077 822798345 /nfs/dbraw/zinc/79/83/45/822798345.db2.gz JMPZTQBKEOSUHZ-UHFFFAOYSA-N 1 0 393.516 4.010 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)C3(c4cccc(Cl)c4)CC(=O)C3)ccc21 ZINC000456328894 822798936 /nfs/dbraw/zinc/79/89/36/822798936.db2.gz RRHCVSRAIKITHR-HXUWFJFHSA-N 1 0 382.891 4.128 20 0 GIADRO Cc1cc(CC(C)(C)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1Br ZINC000456329480 822798940 /nfs/dbraw/zinc/79/89/40/822798940.db2.gz KJLYWGLJTIKTTD-ALOPSCKCSA-N 1 0 393.369 4.068 20 0 GIADRO C[C@H]1CN(C(=O)c2ccc([C@H]3CCCOC3)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000456328962 822798949 /nfs/dbraw/zinc/79/89/49/822798949.db2.gz IHXXYTXCBUOMQY-YKSBVNFPSA-N 1 0 392.543 4.175 20 0 GIADRO Cc1c2cc(Br)cc(C)c2oc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000456334112 822799541 /nfs/dbraw/zinc/79/95/41/822799541.db2.gz UQRWWFHEBVQXNK-GOOCMWNKSA-N 1 0 391.309 4.167 20 0 GIADRO Cc1cn(-c2c(F)cccc2F)nc1C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000456340411 822800155 /nfs/dbraw/zinc/80/01/55/822800155.db2.gz YAUYQFSQGRNRCK-IBGZPJMESA-N 1 0 396.441 4.260 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2sc(-c3ccc(Cl)s3)nc2C)C1 ZINC000174521449 822800362 /nfs/dbraw/zinc/80/03/62/822800362.db2.gz PSFFWCLLBSWHPQ-GFCCVEGCSA-N 1 0 383.970 4.247 20 0 GIADRO COc1ccc(N2CCC[N@@H+]([C@H](C)c3nc(-c4ccccc4)no3)CC2)cc1 ZINC000052466459 822800716 /nfs/dbraw/zinc/80/07/16/822800716.db2.gz VGVNAQZSUAWIJC-QGZVFWFLSA-N 1 0 378.476 4.019 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)NCCSc2ccccc2)[C@@H]1c1cccs1 ZINC000174525575 822800854 /nfs/dbraw/zinc/80/08/54/822800854.db2.gz MYXHBQRXIFUPON-QFBILLFUSA-N 1 0 389.590 4.223 20 0 GIADRO C[C@H](CC(=O)c1ccccc1F)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000456349124 822800940 /nfs/dbraw/zinc/80/09/40/822800940.db2.gz VPQKYTREQACUFP-RTBURBONSA-N 1 0 396.506 4.015 20 0 GIADRO O=C([C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174526208 822801052 /nfs/dbraw/zinc/80/10/52/822801052.db2.gz HETFDKSVPRSOLU-KBAYOESNSA-N 1 0 380.454 4.143 20 0 GIADRO C[C@H]1CN(C(=O)c2cccc([C@@H]3CCCOC3)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000456352562 822801468 /nfs/dbraw/zinc/80/14/68/822801468.db2.gz YERXNPCNJONZRQ-HYBUGGRVSA-N 1 0 392.543 4.175 20 0 GIADRO C[C@](O)(C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccs1)c1ccco1 ZINC000174528431 822801487 /nfs/dbraw/zinc/80/14/87/822801487.db2.gz ZXEAIZWRVGSDEX-NRFANRHFSA-N 1 0 379.485 4.191 20 0 GIADRO COc1ccc(Br)cc1NC(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000052495026 822801536 /nfs/dbraw/zinc/80/15/36/822801536.db2.gz MRCNSQFQLVHDBL-UHFFFAOYSA-N 1 0 398.345 4.042 20 0 GIADRO Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[NH2+]C[C@](C)(O)c1ccco1 ZINC000174531688 822802046 /nfs/dbraw/zinc/80/20/46/822802046.db2.gz YNLBFLICJOWGKC-SFHVURJKSA-N 1 0 380.275 4.078 20 0 GIADRO Cc1cc(CSc2ccccc2C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)on1 ZINC000174531831 822802096 /nfs/dbraw/zinc/80/20/96/822802096.db2.gz IZOPAVIDAOIUOW-SFHVURJKSA-N 1 0 399.560 4.223 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1cccc(C)c1C ZINC000185620095 822803100 /nfs/dbraw/zinc/80/31/00/822803100.db2.gz QXYBLJINFJONKK-UKRRQHHQSA-N 1 0 396.457 4.357 20 0 GIADRO Cc1ccc(-c2nc(C(=O)N3CC[C@H](C[NH+]4CCCCC4)C3)cs2)c(C)c1 ZINC000174546128 822803385 /nfs/dbraw/zinc/80/33/85/822803385.db2.gz IAURNQGAIPUFCS-GOSISDBHSA-N 1 0 383.561 4.375 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(-c3cc(F)c(F)c(F)c3)cc2)C1 ZINC000174544857 822803404 /nfs/dbraw/zinc/80/34/04/822803404.db2.gz MAJYOHZKMKZNQD-AWEZNQCLSA-N 1 0 376.422 4.185 20 0 GIADRO CC1CC[NH+]([C@@H](CNC(=O)N(C)Cc2ccccc2O)c2ccccc2)CC1 ZINC000052583661 822804262 /nfs/dbraw/zinc/80/42/62/822804262.db2.gz KUPWAZCRCDBNOD-NRFANRHFSA-N 1 0 381.520 4.007 20 0 GIADRO COC(C)(C)C[C@H](C)[NH2+]Cc1csc(N(C(C)=O)c2ccc(C)cc2)n1 ZINC000174554830 822804498 /nfs/dbraw/zinc/80/44/98/822804498.db2.gz PXVRSTXTFUGGNH-HNNXBMFYSA-N 1 0 375.538 4.429 20 0 GIADRO CC[C@H](CNC(=O)CCCCC(=O)c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000052591446 822804649 /nfs/dbraw/zinc/80/46/49/822804649.db2.gz FFPLEODXWMOKLA-HSZRJFAPSA-N 1 0 392.543 4.383 20 0 GIADRO C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1cn(C)c2ccccc12 ZINC000185643962 822805987 /nfs/dbraw/zinc/80/59/87/822805987.db2.gz HKECGWLAQRKDEP-ZJOUEHCJSA-N 1 0 389.543 4.451 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccnc2Cl)cc1OCC ZINC000052659684 822806628 /nfs/dbraw/zinc/80/66/28/822806628.db2.gz FCGDHIWMZUJQPK-UONOGXRCSA-N 1 0 391.899 4.210 20 0 GIADRO COC(=O)COc1ccc([C@@H](C)[NH2+]Cc2cc3ccccc3nc2Cl)cc1 ZINC000185647824 822806616 /nfs/dbraw/zinc/80/66/16/822806616.db2.gz YBMFXUJPKHKYTK-CQSZACIVSA-N 1 0 384.863 4.291 20 0 GIADRO C[C@H]([NH2+]Cc1ccccc1N1CCCCC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000174579823 822807633 /nfs/dbraw/zinc/80/76/33/822807633.db2.gz UYWDXNWHSLFFFU-INIZCTEOSA-N 1 0 390.524 4.070 20 0 GIADRO C[NH+](C)Cc1c2ccccc2oc1C(=O)N[C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000456449419 822807815 /nfs/dbraw/zinc/80/78/15/822807815.db2.gz LYWSAINLNDFXJF-HNNXBMFYSA-N 1 0 388.389 4.329 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)c2c(C)nc(C3CC3)nc2SC)c1 ZINC000174586138 822808537 /nfs/dbraw/zinc/80/85/37/822808537.db2.gz WPZBLYPSQGWKPZ-UHFFFAOYSA-N 1 0 384.549 4.478 20 0 GIADRO CCCc1ncc(CNC(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)o1 ZINC000456484514 822809892 /nfs/dbraw/zinc/80/98/92/822809892.db2.gz AEUMRLRCGIETAD-UHFFFAOYSA-N 1 0 377.488 4.189 20 0 GIADRO C[N@H+]1[C@@H]2CCC[C@H]1CC([NH2+]Cc1cn(-c3ccccc3)nc1-c1cccnc1)C2 ZINC000174598155 822810104 /nfs/dbraw/zinc/81/01/04/822810104.db2.gz SMEKGIICQSFQFM-BRTIRZTQSA-N 1 0 387.531 4.039 20 0 GIADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)CCCCC(=O)c2ccccc2)CC1 ZINC000052777194 822810406 /nfs/dbraw/zinc/81/04/06/822810406.db2.gz WOBOAFGYZARSFY-UHFFFAOYSA-N 1 0 392.543 4.473 20 0 GIADRO Cc1ccc(-c2nc(C[NH2+]C3CCC(O)(c4cccnc4)CC3)cs2)cc1 ZINC000185691930 822810608 /nfs/dbraw/zinc/81/06/08/822810608.db2.gz IPSDONHMJIFWOS-UHFFFAOYSA-N 1 0 379.529 4.434 20 0 GIADRO Cc1nc(-c2ccccc2)oc1C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000174600935 822810667 /nfs/dbraw/zinc/81/06/67/822810667.db2.gz KYPYEFALENQTSK-LJQANCHMSA-N 1 0 381.520 4.378 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+](C)CCCc1ccccc1 ZINC000052802784 822810887 /nfs/dbraw/zinc/81/08/87/822810887.db2.gz BIVSNJOHXXGFSL-UHFFFAOYSA-N 1 0 390.531 4.382 20 0 GIADRO OC1(c2cccnc2)CCC([NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)CC1 ZINC000185698239 822811225 /nfs/dbraw/zinc/81/12/25/822811225.db2.gz WZZSXIPOLQETRI-UHFFFAOYSA-N 1 0 398.510 4.341 20 0 GIADRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cccc(NC(=O)c2cccs2)c1 ZINC000052818786 822811726 /nfs/dbraw/zinc/81/17/26/822811726.db2.gz JMOOKNBLVZPGSG-INIZCTEOSA-N 1 0 387.549 4.241 20 0 GIADRO O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000052829758 822812196 /nfs/dbraw/zinc/81/21/96/822812196.db2.gz XRJIJEQZPSWLJQ-MRXNPFEDSA-N 1 0 396.878 4.241 20 0 GIADRO O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000052829757 822812211 /nfs/dbraw/zinc/81/22/11/822812211.db2.gz XRJIJEQZPSWLJQ-INIZCTEOSA-N 1 0 396.878 4.241 20 0 GIADRO C[C@@H](N[C@@H](C)C(=O)Nc1cc(Cl)ccc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185706985 822812363 /nfs/dbraw/zinc/81/23/63/822812363.db2.gz JKHXHFWGBKRZJN-QLFBSQMISA-N 1 0 381.923 4.049 20 0 GIADRO COc1ccc(F)cc1C[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000052833915 822812439 /nfs/dbraw/zinc/81/24/39/822812439.db2.gz HECGEFWRGSIRNP-UHFFFAOYSA-N 1 0 394.284 4.392 20 0 GIADRO O=C(Nc1ccccc1)c1cccc(C[N@@H+]2CCNC(=O)C[C@H]2c2ccccc2)c1 ZINC000052836982 822812444 /nfs/dbraw/zinc/81/24/44/822812444.db2.gz YLMOHMWHYMRXOC-QHCPKHFHSA-N 1 0 399.494 4.002 20 0 GIADRO COc1cccc([C@H](CNC(=O)c2cc(F)c(Cl)cc2Cl)[NH+](C)C)c1 ZINC000052839166 822812604 /nfs/dbraw/zinc/81/26/04/822812604.db2.gz HRZRNRVLRLWWNQ-KRWDZBQOSA-N 1 0 385.266 4.174 20 0 GIADRO COc1cccc([C@@H](CNC(=O)c2cc(F)c(Cl)cc2Cl)[NH+](C)C)c1 ZINC000052839167 822812664 /nfs/dbraw/zinc/81/26/64/822812664.db2.gz HRZRNRVLRLWWNQ-QGZVFWFLSA-N 1 0 385.266 4.174 20 0 GIADRO COCCC[NH+]1CCC(NC(=O)N2CCCC[C@@H]2c2cccc(C)c2C)CC1 ZINC000174622092 822813735 /nfs/dbraw/zinc/81/37/35/822813735.db2.gz UZQJWQHKFBIGBH-JOCHJYFZSA-N 1 0 387.568 4.041 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CCO[C@H](c3cccs3)C2)cc1)C1CC1 ZINC000456539192 822814116 /nfs/dbraw/zinc/81/41/16/822814116.db2.gz OFGNMGDBFOYYRM-QUCCMNQESA-N 1 0 384.545 4.383 20 0 GIADRO COc1ccccc1[C@@H](C[NH2+]Cc1cncc(Br)c1)OC(C)C ZINC000185721977 822814445 /nfs/dbraw/zinc/81/44/45/822814445.db2.gz NCZLPKJFDIPKCB-GOSISDBHSA-N 1 0 379.298 4.109 20 0 GIADRO COc1ccc(CN[C@@H]2CC[N@H+](CC3CCCC3)C2)cc1OCc1cccnc1 ZINC000174636357 822815790 /nfs/dbraw/zinc/81/57/90/822815790.db2.gz VFYLOXOENXCCCK-JOCHJYFZSA-N 1 0 395.547 4.023 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ncc(Cc3ccccc3Cl)s2)CC[N@@H+]1C ZINC000174642751 822816401 /nfs/dbraw/zinc/81/64/01/822816401.db2.gz VBWCOJALPZULKF-HIFRSBDPSA-N 1 0 392.956 4.334 20 0 GIADRO Cc1ccc(Cc2cnc(NC(=O)N(C)[C@H]3CC[N@H+](C)[C@H](C)C3)s2)cc1F ZINC000174647624 822817308 /nfs/dbraw/zinc/81/73/08/822817308.db2.gz PPKNHMPEVNZJAM-ZBFHGGJFSA-N 1 0 390.528 4.128 20 0 GIADRO C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000052993569 822818009 /nfs/dbraw/zinc/81/80/09/822818009.db2.gz UMCQDOZUXAADRC-HNNXBMFYSA-N 1 0 389.927 4.308 20 0 GIADRO COc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2cccc3ccccc32)c(OC)c1 ZINC000053017350 822818673 /nfs/dbraw/zinc/81/86/73/822818673.db2.gz BCCKNQCRAUQRGD-INIZCTEOSA-N 1 0 378.472 4.316 20 0 GIADRO CSc1nc(C2CC2)nc(C)c1C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000174657966 822819381 /nfs/dbraw/zinc/81/93/81/822819381.db2.gz LPXSTLJCISFROV-UHFFFAOYSA-N 1 0 398.576 4.155 20 0 GIADRO O=C(NCc1ccc(F)cc1)C1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000053049358 822819678 /nfs/dbraw/zinc/81/96/78/822819678.db2.gz VFHNPWWMTGFPCP-UHFFFAOYSA-N 1 0 394.412 4.373 20 0 GIADRO Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2cc(F)c(F)c(F)c2)c(OCC[NH+](C)C)c1 ZINC000185772593 822819928 /nfs/dbraw/zinc/81/99/28/822819928.db2.gz RXSICUIELQHNJF-HUUCEWRRSA-N 1 0 392.421 4.095 20 0 GIADRO CCCCn1c(SC[C@@H](O)c2ccc(C)cc2)nnc1[C@H](CC)N(C)C ZINC000174668869 822821226 /nfs/dbraw/zinc/82/12/26/822821226.db2.gz LXKIJUMDPBGPQP-ZWKOTPCHSA-N 1 0 376.570 4.225 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNc2ncccc2C(=O)N2CCCCC2)cc1 ZINC000174674264 822821803 /nfs/dbraw/zinc/82/18/03/822821803.db2.gz RYYRCLMMHDVZPA-UHFFFAOYSA-N 1 0 380.536 4.162 20 0 GIADRO C[C@H](C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)c1cn(C)c2ccccc12 ZINC000185798309 822822108 /nfs/dbraw/zinc/82/21/08/822822108.db2.gz UWLDTBNPRZQTGB-HDYDNRTBSA-N 1 0 381.564 4.441 20 0 GIADRO CC[C@@H](Cc1cccc(Br)c1)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000456685071 822822394 /nfs/dbraw/zinc/82/23/94/822822394.db2.gz PXNPZXSWSPMMAF-INIZCTEOSA-N 1 0 393.369 4.151 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1cccnc1Cl)[C@@H](C)c1ccccc1C(F)(F)F ZINC000185829561 822825146 /nfs/dbraw/zinc/82/51/46/822825146.db2.gz ZLZPRLGXMCXBDR-NEPJUHHUSA-N 1 0 385.817 4.474 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1cccnc1Cl)[C@@H](C)c1ccccc1C(F)(F)F ZINC000185829521 822825165 /nfs/dbraw/zinc/82/51/65/822825165.db2.gz ZLZPRLGXMCXBDR-VXGBXAGGSA-N 1 0 385.817 4.474 20 0 GIADRO Cc1c(C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)[nH]c2c1C(=O)CCC2 ZINC000053189679 822825648 /nfs/dbraw/zinc/82/56/48/822825648.db2.gz VTIVLEOFKCDXGX-HNNXBMFYSA-N 1 0 379.504 4.326 20 0 GIADRO Cc1ccc(CCC(=O)N2CCC(CCC[NH+](C)C)CC2)c(Br)c1 ZINC000185840417 822826258 /nfs/dbraw/zinc/82/62/58/822826258.db2.gz QYSZHIPLXSFHOC-UHFFFAOYSA-N 1 0 395.385 4.271 20 0 GIADRO CCOc1ccc(Oc2cc(CNC(=O)C3CC[NH+](C(C)C)CC3)ccn2)cc1 ZINC000174707916 822826489 /nfs/dbraw/zinc/82/64/89/822826489.db2.gz CIRFHQPZEQBWGG-UHFFFAOYSA-N 1 0 397.519 4.009 20 0 GIADRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)C1NC(=O)CCc1ncc(C(C)(C)C)o1 ZINC000185851374 822827379 /nfs/dbraw/zinc/82/73/79/822827379.db2.gz SMMLUJRBPHRPAE-NHJWOMDBSA-N 1 0 397.563 4.178 20 0 GIADRO COc1ccccc1C[C@@H]([NH2+]CC(=O)N(C)c1nc2ccccc2s1)C(C)C ZINC000185869566 822828692 /nfs/dbraw/zinc/82/86/92/822828692.db2.gz SOCJEHJOKZEXEW-GOSISDBHSA-N 1 0 397.544 4.125 20 0 GIADRO Cc1nc(COc2cccc(C(=O)NCCC[N@H+]3CCCC[C@@H]3C)c2)cs1 ZINC000053285531 822829295 /nfs/dbraw/zinc/82/92/95/822829295.db2.gz QYKCFOQHKBCBNW-INIZCTEOSA-N 1 0 387.549 4.025 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)CSCC(F)(F)F)CC1 ZINC000456785414 822830707 /nfs/dbraw/zinc/83/07/07/822830707.db2.gz DGOLFCSKZDGBJU-UHFFFAOYSA-N 1 0 396.862 4.047 20 0 GIADRO CC[C@@H](NC(=O)NC[C@@H](C(C)C)[NH+]1CCCC1)c1nc(C(F)(F)F)cs1 ZINC000174740200 822830955 /nfs/dbraw/zinc/83/09/55/822830955.db2.gz ADXRWEPYMUQNAZ-OLZOCXBDSA-N 1 0 392.491 4.033 20 0 GIADRO C[NH+](C)Cc1cccc(C(=O)Nc2ccc(-n3nccc3C(F)(F)F)cc2)c1 ZINC000174743119 822831331 /nfs/dbraw/zinc/83/13/31/822831331.db2.gz JGYDUVUUGXFMEU-UHFFFAOYSA-N 1 0 388.393 4.205 20 0 GIADRO Cc1c(Br)scc1C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185903491 822831762 /nfs/dbraw/zinc/83/17/62/822831762.db2.gz QCYJDYATFYAFCV-STQMWFEESA-N 1 0 385.371 4.202 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)CCCC(F)(F)F)CC1 ZINC000456795240 822831837 /nfs/dbraw/zinc/83/18/37/822831837.db2.gz SWYWPFOESBMUNT-UHFFFAOYSA-N 1 0 378.822 4.484 20 0 GIADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Cc2csc(-c3cccc(F)c3)n2)C1 ZINC000053404950 822833379 /nfs/dbraw/zinc/83/33/79/822833379.db2.gz SVJBLERFSZNRNC-OAHLLOKOSA-N 1 0 389.540 4.118 20 0 GIADRO CC[C@H](NC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1nc(C)cs1 ZINC000174762276 822833793 /nfs/dbraw/zinc/83/37/93/822833793.db2.gz HHGPPARWURPJKR-OALUTQOASA-N 1 0 386.565 4.066 20 0 GIADRO CC[C@@H](NC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1)c1nc(C)cs1 ZINC000174762663 822834024 /nfs/dbraw/zinc/83/40/24/822834024.db2.gz JFCUZJKOXKAERV-PKOBYXMFSA-N 1 0 386.565 4.209 20 0 GIADRO Cc1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc1Br ZINC000174769992 822834806 /nfs/dbraw/zinc/83/48/06/822834806.db2.gz ZZSXAACKWGFGTG-CVEARBPZSA-N 1 0 380.330 4.237 20 0 GIADRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)Nc1cccc(-c2cc[nH]n2)c1 ZINC000185937691 822835309 /nfs/dbraw/zinc/83/53/09/822835309.db2.gz QPDPYGNGWWDOKF-MRXNPFEDSA-N 1 0 395.532 4.172 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)[C@H](C)C1 ZINC000174775426 822835481 /nfs/dbraw/zinc/83/54/81/822835481.db2.gz BMBZZLIDQMXZLR-BDJLRTHQSA-N 1 0 392.758 4.247 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)[C@H](C)C1 ZINC000174775415 822835505 /nfs/dbraw/zinc/83/55/05/822835505.db2.gz BMBZZLIDQMXZLR-BZNIZROVSA-N 1 0 392.758 4.247 20 0 GIADRO C[C@H](NC(=O)N(C)CCC[NH+](C)C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000185958227 822837290 /nfs/dbraw/zinc/83/72/90/822837290.db2.gz XUVVIGUOUMKMDB-KRWDZBQOSA-N 1 0 387.499 4.059 20 0 GIADRO C[C@H]1CCN(C(=O)Nc2ccc(-n3cccn3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000174790943 822837303 /nfs/dbraw/zinc/83/73/03/822837303.db2.gz USUUGYODBMVQFL-IBGZPJMESA-N 1 0 389.503 4.001 20 0 GIADRO Cc1csc(Sc2ccc(NC(=O)N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2)n1 ZINC000174791007 822837326 /nfs/dbraw/zinc/83/73/26/822837326.db2.gz HJLHFZRIZZAFRU-CVEARBPZSA-N 1 0 388.562 4.303 20 0 GIADRO CN(C(=O)Nc1cccc(-c2cc[nH]n2)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000185961382 822837957 /nfs/dbraw/zinc/83/79/57/822837957.db2.gz GSUFWLLXQQGNSI-UHFFFAOYSA-N 1 0 389.503 4.205 20 0 GIADRO CN(Cc1ccc(Cl)cc1)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000053547877 822840384 /nfs/dbraw/zinc/84/03/84/822840384.db2.gz QVCCUDAJEGETNC-KRWDZBQOSA-N 1 0 377.941 4.380 20 0 GIADRO C[C@H](NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccc(F)cc1F ZINC000053548421 822840621 /nfs/dbraw/zinc/84/06/21/822840621.db2.gz DQBVKHKZCSDXKJ-SUMWQHHRSA-N 1 0 379.476 4.224 20 0 GIADRO Cc1ncsc1/C=C/C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000185983435 822840851 /nfs/dbraw/zinc/84/08/51/822840851.db2.gz SRFHCUXLNZTCDD-SQRWCISFSA-N 1 0 375.563 4.116 20 0 GIADRO C[N@H+](Cc1ncc(-c2ccccc2F)o1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000174827487 822842676 /nfs/dbraw/zinc/84/26/76/822842676.db2.gz VRKKOCPMZJVIKE-UHFFFAOYSA-N 1 0 389.471 4.312 20 0 GIADRO CC(=O)Nc1cc(C(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)ccc1C ZINC000053619164 822843005 /nfs/dbraw/zinc/84/30/05/822843005.db2.gz PLWVFMWBHPARGF-UHFFFAOYSA-N 1 0 379.504 4.438 20 0 GIADRO CCC[N@H+](Cc1ccc(S(=O)(=O)N(C)C)o1)[C@H](C)c1cc2ccccc2o1 ZINC000053643364 822843630 /nfs/dbraw/zinc/84/36/30/822843630.db2.gz TYGFHMPRPPWKRN-OAHLLOKOSA-N 1 0 390.505 4.249 20 0 GIADRO C[C@H]([NH2+]CCc1nc2c(cccc2F)n1C)c1cc(Br)ccc1O ZINC000186038921 822846112 /nfs/dbraw/zinc/84/61/12/822846112.db2.gz PQDCDKLYBNWPOU-NSHDSACASA-N 1 0 392.272 4.074 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(-c2ccccc2)o1 ZINC000186039429 822846330 /nfs/dbraw/zinc/84/63/30/822846330.db2.gz BEQYZBUKIIHQGM-KRWDZBQOSA-N 1 0 396.512 4.337 20 0 GIADRO Cc1nc(-c2ccccc2)oc1C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000174856065 822847088 /nfs/dbraw/zinc/84/70/88/822847088.db2.gz ILUDNDVDSMXTHQ-PKOBYXMFSA-N 1 0 381.520 4.377 20 0 GIADRO CC(C)c1ccc(C(=O)Nc2ccc(C(=O)N(C)[C@@H]3CCC[N@H+](C)C3)cc2)s1 ZINC000186050243 822847263 /nfs/dbraw/zinc/84/72/63/822847263.db2.gz DLGUSHFFGSCNLC-GOSISDBHSA-N 1 0 399.560 4.290 20 0 GIADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)c2sccc2OC)cc1 ZINC000186085161 822850273 /nfs/dbraw/zinc/85/02/73/822850273.db2.gz LUSJLFYVANLGKF-LSDHHAIUSA-N 1 0 396.578 4.199 20 0 GIADRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)c2sccc2OC)cc1 ZINC000186085110 822850308 /nfs/dbraw/zinc/85/03/08/822850308.db2.gz LUSJLFYVANLGKF-CABCVRRESA-N 1 0 396.578 4.199 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCC[C@@H]1c1csc(C)n1 ZINC000186091472 822850663 /nfs/dbraw/zinc/85/06/63/822850663.db2.gz UKUUAZXJZORGRG-HXUWFJFHSA-N 1 0 386.565 4.340 20 0 GIADRO C[C@H](C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)c1cccc(Cl)c1 ZINC000457079394 822850694 /nfs/dbraw/zinc/85/06/94/822850694.db2.gz FECFICOWVDGIMV-ZDUSSCGKSA-N 1 0 376.850 4.319 20 0 GIADRO CN(C(=O)c1cccc(Cl)c1Cl)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457087619 822852050 /nfs/dbraw/zinc/85/20/50/822852050.db2.gz QINUSAHGGADCCX-UHFFFAOYSA-N 1 0 383.241 4.482 20 0 GIADRO CN(C(=O)c1ccc(OC(F)(F)F)cc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457089988 822852427 /nfs/dbraw/zinc/85/24/27/822852427.db2.gz UOKWEJABGIHZLW-UHFFFAOYSA-N 1 0 398.347 4.074 20 0 GIADRO CN(C(=O)c1ccc(-c2ccccc2)[nH]1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457094312 822852940 /nfs/dbraw/zinc/85/29/40/822852940.db2.gz ZKIDPMWUMSSUOU-UHFFFAOYSA-N 1 0 379.426 4.171 20 0 GIADRO CC(C)Oc1ccc(-c2nc(C(=O)N(C)[C@H]3CC[N@@H+](C(C)C)C3)cs2)cc1 ZINC000457108576 822853802 /nfs/dbraw/zinc/85/38/02/822853802.db2.gz FVSJFIIRHSISPJ-KRWDZBQOSA-N 1 0 387.549 4.152 20 0 GIADRO COc1ccsc1[C@@H](C)[NH2+]C[C@@H](O)COc1cccc(Cl)c1Cl ZINC000186126179 822853899 /nfs/dbraw/zinc/85/38/99/822853899.db2.gz QHVXMJNAHBCCNL-GHMZBOCLSA-N 1 0 376.305 4.154 20 0 GIADRO C[C@@H](Sc1ccccn1)C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000186129430 822854203 /nfs/dbraw/zinc/85/42/03/822854203.db2.gz JZYFJBUBQKWYQT-CJNGLKHVSA-N 1 0 397.466 4.000 20 0 GIADRO C[C@H](C(=O)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1)C(C)(C)C ZINC000457112436 822854356 /nfs/dbraw/zinc/85/43/56/822854356.db2.gz INUVOXREBPXEBN-QGZVFWFLSA-N 1 0 391.987 4.135 20 0 GIADRO CCCOc1ccc(NC(=O)NC2CC[NH+](C(C)C)CC2)cc1OCCC ZINC000053962730 822854521 /nfs/dbraw/zinc/85/45/21/822854521.db2.gz JADOWURYZOYIMG-UHFFFAOYSA-N 1 0 377.529 4.259 20 0 GIADRO Cc1cnc([C@H](NC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)C2CC2)s1 ZINC000174912911 822854687 /nfs/dbraw/zinc/85/46/87/822854687.db2.gz ATLXJMXNNUJEDE-RBUKOAKNSA-N 1 0 384.549 4.039 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2ccc(COC(C)C)cc2)CC1 ZINC000053968126 822854934 /nfs/dbraw/zinc/85/49/34/822854934.db2.gz IUPPVKKFIXDKEA-UHFFFAOYSA-N 1 0 380.532 4.314 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2csc(Br)c2)CC1 ZINC000053968307 822855071 /nfs/dbraw/zinc/85/50/71/822855071.db2.gz OGEHCVAHQMPHPH-UHFFFAOYSA-N 1 0 393.350 4.213 20 0 GIADRO O=C(CCC1CCC1)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000457124000 822855527 /nfs/dbraw/zinc/85/55/27/822855527.db2.gz WZAQGIMMKQEJFW-UHFFFAOYSA-N 1 0 389.971 4.033 20 0 GIADRO Cc1cc(NC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1N(C)C ZINC000174916760 822855642 /nfs/dbraw/zinc/85/56/42/822855642.db2.gz XSSNYXIMEXMGND-FQEVSTJZSA-N 1 0 380.536 4.047 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1ccccc1Nc1ccccc1 ZINC000053990182 822855824 /nfs/dbraw/zinc/85/58/24/822855824.db2.gz BJDVZPMAAQWRIV-UHFFFAOYSA-N 1 0 386.499 4.220 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)Nc2ccc3c(c2)OCCCO3)cc1 ZINC000054001304 822856561 /nfs/dbraw/zinc/85/65/61/822856561.db2.gz BYIYDWSZQLNTOH-UHFFFAOYSA-N 1 0 383.492 4.011 20 0 GIADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@@H](C)c1ncc(C)s1 ZINC000174925977 822856924 /nfs/dbraw/zinc/85/69/24/822856924.db2.gz FMLNTYCPCBCXLC-HNNXBMFYSA-N 1 0 380.583 4.128 20 0 GIADRO CCOc1ccc2cc(C(=O)N(C)C[C@@H]3CC[N@H+](Cc4ccccc4)C3)[nH]c2c1 ZINC000174926751 822856974 /nfs/dbraw/zinc/85/69/74/822856974.db2.gz RGDXTHAWDAWNRI-IBGZPJMESA-N 1 0 391.515 4.161 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cccc(COc3cccc(F)c3)c2)CC[N@@H+]1C ZINC000174928625 822857311 /nfs/dbraw/zinc/85/73/11/822857311.db2.gz OHNMKIMXHDHWFN-UZLBHIALSA-N 1 0 385.483 4.351 20 0 GIADRO Cc1[nH]c2ccc(C(=O)Nc3ccc(N4CCC[N@@H+](C)CC4)cc3)cc2c1C ZINC000054012435 822858850 /nfs/dbraw/zinc/85/88/50/822858850.db2.gz AIMXPBKIIUAJHA-UHFFFAOYSA-N 1 0 376.504 4.179 20 0 GIADRO CSCCCCCNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000186185160 822859090 /nfs/dbraw/zinc/85/90/90/822859090.db2.gz KNLJVMXHPHSHNN-SFTDATJTSA-N 1 0 389.609 4.216 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)c2cccc(NC(=O)[C@H]3C[C@H]3C)c2)c1 ZINC000054032614 822859662 /nfs/dbraw/zinc/85/96/62/822859662.db2.gz QNPAYHDOLDRBPT-VGSWGCGISA-N 1 0 393.531 4.053 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)c2ccc(NC(C)=O)c(SC)c2)c1 ZINC000054032775 822859791 /nfs/dbraw/zinc/85/97/91/822859791.db2.gz MPXWBDLTZMCDLX-UHFFFAOYSA-N 1 0 399.560 4.139 20 0 GIADRO C[C@@H]1COCC[C@@H]1C(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457193798 822859947 /nfs/dbraw/zinc/85/99/47/822859947.db2.gz JGZLCXKFWYJMPL-FGCOXFRFSA-N 1 0 398.591 4.342 20 0 GIADRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)Nc1cccc(N(C)C(C)=O)c1 ZINC000174952598 822860378 /nfs/dbraw/zinc/86/03/78/822860378.db2.gz NAHRHSFWTDIRFM-UHFFFAOYSA-N 1 0 396.535 4.045 20 0 GIADRO Cc1ccc(NC(=O)c2cc3ccccc3s2)cc1NC(=O)CC[NH+](C)C ZINC000186208678 822860964 /nfs/dbraw/zinc/86/09/64/822860964.db2.gz YFHYHSCWXXIZHN-UHFFFAOYSA-N 1 0 381.501 4.352 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN([C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000174960202 822861587 /nfs/dbraw/zinc/86/15/87/822861587.db2.gz CNOPCGYMLLNEST-LSDHHAIUSA-N 1 0 396.457 4.480 20 0 GIADRO Cc1ccc(NC(=O)[C@H](C)SCc2ccccc2)cc1NC(=O)CC[NH+](C)C ZINC000186223034 822862253 /nfs/dbraw/zinc/86/22/53/822862253.db2.gz BBUUSLMDMFCZJZ-KRWDZBQOSA-N 1 0 399.560 4.146 20 0 GIADRO COC[C@@H]([NH2+][C@H](C)c1ccc(Br)cc1O)c1ccc(F)c(F)c1 ZINC000186226028 822862426 /nfs/dbraw/zinc/86/24/26/822862426.db2.gz UQFMICFTZUVUHF-QLJPJBMISA-N 1 0 386.236 4.471 20 0 GIADRO CCSc1cc(CNC(=O)NCc2cccc(C[NH+](CC)CC)c2)ccn1 ZINC000186228255 822862774 /nfs/dbraw/zinc/86/27/74/822862774.db2.gz JHDCWCKXIYUXIP-UHFFFAOYSA-N 1 0 386.565 4.035 20 0 GIADRO COc1cc(C2(C(=O)N(C)C[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)ccc1C ZINC000174970821 822862757 /nfs/dbraw/zinc/86/27/57/822862757.db2.gz HSAYXKVZSITOMQ-OAQYLSRUSA-N 1 0 392.543 4.016 20 0 GIADRO Cc1nc([C@@H](C)[NH+]2CCC(Cn3cncn3)CC2)oc1-c1ccc(Cl)cc1 ZINC000186245157 822864377 /nfs/dbraw/zinc/86/43/77/822864377.db2.gz CUVXGGRSZPPWEZ-OAHLLOKOSA-N 1 0 385.899 4.368 20 0 GIADRO CC(C)n1c(-c2ccccn2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000568959824 822865211 /nfs/dbraw/zinc/86/52/11/822865211.db2.gz LWKWYSYREGRJHX-MOPGFXCFSA-N 1 0 382.556 4.012 20 0 GIADRO CC(C)n1c(-c2ccccn2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000568959825 822865298 /nfs/dbraw/zinc/86/52/98/822865298.db2.gz LWKWYSYREGRJHX-OALUTQOASA-N 1 0 382.556 4.012 20 0 GIADRO Cc1c[nH+]ccc1N1CCC(C(=O)N2C[C@H](c3ccccc3)C3(CCC3)C2)CC1 ZINC000568960642 822865340 /nfs/dbraw/zinc/86/53/40/822865340.db2.gz GKSXTQMNVUQWML-JOCHJYFZSA-N 1 0 389.543 4.403 20 0 GIADRO C[NH+](C)CCOc1ccccc1CNC(=O)c1cc(Cl)c(F)cc1Cl ZINC000568963896 822865690 /nfs/dbraw/zinc/86/56/90/822865690.db2.gz BNJYJGPWHUYBPC-UHFFFAOYSA-N 1 0 385.266 4.003 20 0 GIADRO Cc1ccc(NC(=O)c2cc3c(s2)CC[C@@H](C)C3)cc1NC(=O)CC[NH+](C)C ZINC000186257710 822865869 /nfs/dbraw/zinc/86/58/69/822865869.db2.gz KIPQXDWIHUQVBU-CQSZACIVSA-N 1 0 399.560 4.324 20 0 GIADRO COc1cc(NC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)ccc1OC(C)C ZINC000186260272 822866253 /nfs/dbraw/zinc/86/62/53/822866253.db2.gz YSDSSOJZPMKGKA-UHFFFAOYSA-N 1 0 397.519 4.222 20 0 GIADRO [NH3+]C[C@@H]1CN(C(=O)N[C@@H](CC2CCCCC2)c2ccccc2)CC12CCOCC2 ZINC000568974727 822866727 /nfs/dbraw/zinc/86/67/27/822866727.db2.gz POPRIDJDDFQCNE-YADHBBJMSA-N 1 0 399.579 4.095 20 0 GIADRO Cc1cc(C)cc(CCC(=O)Nc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)c1 ZINC000186264241 822866842 /nfs/dbraw/zinc/86/68/42/822866842.db2.gz PCGWQDUNUHRZOP-UHFFFAOYSA-N 1 0 381.520 4.073 20 0 GIADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)CC2(CCc3ccccc3)CCCC2)CC1 ZINC000568974767 822866881 /nfs/dbraw/zinc/86/68/81/822866881.db2.gz YVDPKVCOYBDQIX-LADGPHEKSA-N 1 0 398.591 4.315 20 0 GIADRO C[C@H](c1cccc(O)c1)N(C)C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000186268411 822867489 /nfs/dbraw/zinc/86/74/89/822867489.db2.gz KGEYYBRHGUMPQU-VGOFRKELSA-N 1 0 381.520 4.005 20 0 GIADRO Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)cc1NC(=O)CC[NH+](C)C ZINC000186269795 822867774 /nfs/dbraw/zinc/86/77/74/822867774.db2.gz RMUYSTNXOMCBOJ-QZTJIDSGSA-N 1 0 399.922 4.281 20 0 GIADRO O=C(COc1ccccc1-c1ccccc1)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000568989355 822867770 /nfs/dbraw/zinc/86/77/70/822867770.db2.gz AFWFKBNQFVTMIN-UHFFFAOYSA-N 1 0 393.512 4.295 20 0 GIADRO C[C@@H](OC[C@@H](O)C[NH2+]Cc1nc2ccccc2n1C1CC1)c1ccc(Cl)cc1 ZINC000568993617 822868017 /nfs/dbraw/zinc/86/80/17/822868017.db2.gz TZFPMUOSSFFPEB-BEFAXECRSA-N 1 0 399.922 4.253 20 0 GIADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)Nc3ccc(-c4nc5ccccc5o4)cc3)[C@@H]2C1 ZINC000568994362 822868246 /nfs/dbraw/zinc/86/82/46/822868246.db2.gz QLSLPBGFBZPBFU-QFBILLFUSA-N 1 0 376.460 4.053 20 0 GIADRO O=C(Nc1ccccn1)[C@@H]1CCC[N@@H+](Cc2c(Cl)ccc3cccnc32)C1 ZINC000054202823 822868339 /nfs/dbraw/zinc/86/83/39/822868339.db2.gz NMBXKZWGLWTOII-MRXNPFEDSA-N 1 0 380.879 4.134 20 0 GIADRO CC(C)c1nc([C@@H](C)NC[C@H](O)COc2cccc(C(F)(F)F)c2)cs1 ZINC000186274576 822868545 /nfs/dbraw/zinc/86/85/45/822868545.db2.gz CRBAZOZEWWOWDU-OCCSQVGLSA-N 1 0 388.455 4.376 20 0 GIADRO COc1cc(C(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)ccc1OC(C)C ZINC000175022790 822869231 /nfs/dbraw/zinc/86/92/31/822869231.db2.gz XKHMLFQUAFLJHC-UHFFFAOYSA-N 1 0 396.531 4.219 20 0 GIADRO COc1ccc(N(C)C(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)cc1F ZINC000569017041 822870086 /nfs/dbraw/zinc/87/00/86/822870086.db2.gz IZJMGRCVXZNGDJ-ZDUSSCGKSA-N 1 0 392.500 4.191 20 0 GIADRO CC(C)c1nc([C@H](C)[NH2+]C[C@H](c2cccc(F)c2)N2CCOCC2)cs1 ZINC000186283447 822870108 /nfs/dbraw/zinc/87/01/08/822870108.db2.gz ONYUQEIGEKXJCP-HNAYVOBHSA-N 1 0 377.529 4.130 20 0 GIADRO COc1cccc(F)c1NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000186283356 822870178 /nfs/dbraw/zinc/87/01/78/822870178.db2.gz LUUOSGHOQAGGRT-UYAOXDASSA-N 1 0 397.494 4.353 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)[C@H]2C[C@@H]2c2ccc(F)cc2F)CC1 ZINC000175027248 822870321 /nfs/dbraw/zinc/87/03/21/822870321.db2.gz PGORQTLFPFTTOB-RTWAWAEBSA-N 1 0 384.470 4.191 20 0 GIADRO CCCOc1ccc(CCC(=O)N2CCC[C@H]([NH3+])[C@@H]2c2ccccc2OC)cc1 ZINC000457363053 822870370 /nfs/dbraw/zinc/87/03/70/822870370.db2.gz NWGWNAZUVPCSCU-URXFXBBRSA-N 1 0 396.531 4.108 20 0 GIADRO CC[C@H](CC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H]([NH3+])C1)c1ccc(OC)cc1 ZINC000457362006 822870407 /nfs/dbraw/zinc/87/04/07/822870407.db2.gz IUSDWEWIJJCHJE-NPFVIJTESA-N 1 0 384.495 4.061 20 0 GIADRO CC1(C)CN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)[C@H]1c1ccncc1 ZINC000457370254 822871001 /nfs/dbraw/zinc/87/10/01/822871001.db2.gz DMGFAPMTVMCCAV-RTWAWAEBSA-N 1 0 378.520 4.011 20 0 GIADRO COc1ccc([C@H]2CCN(C(=O)c3cccc(Cl)c3Cl)C[C@H]2[NH3+])cc1F ZINC000457377057 822871549 /nfs/dbraw/zinc/87/15/49/822871549.db2.gz MKSTWRYNVQZZFP-MLGOLLRUSA-N 1 0 397.277 4.098 20 0 GIADRO Cc1cc(C[NH3+])cc(NC(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)c1 ZINC000457384006 822871886 /nfs/dbraw/zinc/87/18/86/822871886.db2.gz TWPJJMWLMXVBQX-UHFFFAOYSA-N 1 0 385.552 4.038 20 0 GIADRO COc1cccc([C@H](NC(=O)N(C)CCC[NH+](C)C)c2ccccc2Cl)c1 ZINC000186291346 822871877 /nfs/dbraw/zinc/87/18/77/822871877.db2.gz FNOJRXLMUCHZSS-FQEVSTJZSA-N 1 0 389.927 4.031 20 0 GIADRO C[C@H]([NH2+]C[C@@H](c1ccc(F)cc1)N1CCOCC1)c1nccc2ccccc21 ZINC000569039608 822872005 /nfs/dbraw/zinc/87/20/05/822872005.db2.gz DOLVFHARXWMWDF-JTSKRJEESA-N 1 0 379.479 4.098 20 0 GIADRO CC(=O)Nc1cccc2c1CCCN2C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000054270746 822872113 /nfs/dbraw/zinc/87/21/13/822872113.db2.gz FYMYTRHFJCLSQR-UHFFFAOYSA-N 1 0 391.515 4.224 20 0 GIADRO COc1cccc([C@@H](CNC(=O)c2ccc(OC(C)C)cc2Cl)[NH+](C)C)c1 ZINC000457387688 822872282 /nfs/dbraw/zinc/87/22/82/822872282.db2.gz KVBCTQYFNMDFEA-HXUWFJFHSA-N 1 0 390.911 4.169 20 0 GIADRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)c1cnccc1Oc1ccccc1)c1ccco1 ZINC000569042150 822872523 /nfs/dbraw/zinc/87/25/23/822872523.db2.gz WFUAFUPTGOUGJH-APWZRJJASA-N 1 0 379.460 4.326 20 0 GIADRO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)Cc1cc2ccccc2o1 ZINC000186298935 822872978 /nfs/dbraw/zinc/87/29/78/822872978.db2.gz JNEUETLXCJBNOT-MRXNPFEDSA-N 1 0 384.501 4.166 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccccc2-n2cccn2)[C@@H]1c1cccs1 ZINC000175048799 822873460 /nfs/dbraw/zinc/87/34/60/822873460.db2.gz CYGACKOMIZIEPM-OXJNMPFZSA-N 1 0 395.532 4.138 20 0 GIADRO CCOC(=O)N(C)c1ccc(NC(=O)c2ccc(C[NH+](CC)CC)cc2)cc1 ZINC000054312278 822874644 /nfs/dbraw/zinc/87/46/44/822874644.db2.gz ZXRMYESNNHFUOX-UHFFFAOYSA-N 1 0 383.492 4.373 20 0 GIADRO COc1ccc(OCc2ccccn2)c(C[NH2+]C[C@@H]2CCCO[C@H]2C(C)C)c1 ZINC000175063187 822876231 /nfs/dbraw/zinc/87/62/31/822876231.db2.gz LUZZWPOMQMSYPX-MBSDFSHPSA-N 1 0 384.520 4.210 20 0 GIADRO CCc1noc(C)c1NC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000569073702 822877155 /nfs/dbraw/zinc/87/71/55/822877155.db2.gz XKDZIKJGXMUEGT-UHFFFAOYSA-N 1 0 382.508 4.065 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)N1CC(c2cccc(C(F)(F)F)c2)C1)c1cccs1 ZINC000457461266 822877350 /nfs/dbraw/zinc/87/73/50/822877350.db2.gz ROPJQMSVIJOKFZ-MRXNPFEDSA-N 1 0 397.466 4.179 20 0 GIADRO CCN(C(=O)c1ccc(NC(=O)C(C)C)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186332226 822877406 /nfs/dbraw/zinc/87/74/06/822877406.db2.gz AENBRGYGLITZEH-JOCHJYFZSA-N 1 0 393.531 4.018 20 0 GIADRO Cc1cc(Br)c(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)s1 ZINC000457462695 822877414 /nfs/dbraw/zinc/87/74/14/822877414.db2.gz PBHVDBKOGZTZIX-UHFFFAOYSA-N 1 0 383.311 4.012 20 0 GIADRO Cc1ccc2[nH]cc(CCC(=O)Nc3cc(CN4CCOCC4)ccc3C)c2c1 ZINC000175076428 822878108 /nfs/dbraw/zinc/87/81/08/822878108.db2.gz UGJAADSISZYCJT-UHFFFAOYSA-N 1 0 391.515 4.188 20 0 GIADRO O=C(Nc1ccc(OCC(F)(F)F)cc1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000569083090 822878311 /nfs/dbraw/zinc/87/83/11/822878311.db2.gz BEPWCWKWZSYKOC-RHSMWYFYSA-N 1 0 385.430 4.014 20 0 GIADRO C[N@H+](Cc1ccc(C(=O)N2CCCC2)cc1)Cc1ccccc1N1CCCC1 ZINC000054358960 822878380 /nfs/dbraw/zinc/87/83/80/822878380.db2.gz PTHUUJKURDBYEY-UHFFFAOYSA-N 1 0 377.532 4.155 20 0 GIADRO c1nc2ccccc2n1CCc1noc(-c2cccc(C[NH+]3CCCCC3)c2)n1 ZINC000569087566 822878631 /nfs/dbraw/zinc/87/86/31/822878631.db2.gz CLDZANCNSGIVMA-UHFFFAOYSA-N 1 0 387.487 4.315 20 0 GIADRO Cc1ccc(NC(=O)NC2CC[NH+](C3CCCC3)CC2)c(Br)c1 ZINC000175082691 822879057 /nfs/dbraw/zinc/87/90/57/822879057.db2.gz LIBVUNYSHDIEPR-UHFFFAOYSA-N 1 0 380.330 4.286 20 0 GIADRO CCc1ccc([C@@H](CNC(=O)NCc2coc(-c3cccs3)n2)[NH+](C)C)cc1 ZINC000054376730 822879396 /nfs/dbraw/zinc/87/93/96/822879396.db2.gz LNEFUOIMVDQCHT-GOSISDBHSA-N 1 0 398.532 4.068 20 0 GIADRO C[C@@H]1CC[C@H](CCC(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)O1 ZINC000175087330 822879750 /nfs/dbraw/zinc/87/97/50/822879750.db2.gz BNBKYRXWOZFUKW-VQIMIIECSA-N 1 0 398.469 4.087 20 0 GIADRO CC(C)c1c(NC(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cnn1-c1ccccc1Cl ZINC000569103225 822880071 /nfs/dbraw/zinc/88/00/71/822880071.db2.gz XCKGFRAQPLWRJY-HNNXBMFYSA-N 1 0 389.931 4.207 20 0 GIADRO CN(C)CC(=O)Nc1ccc(NC(=O)c2cccc(Oc3ccccc3)c2)cc1 ZINC000175091260 822880482 /nfs/dbraw/zinc/88/04/82/822880482.db2.gz PRZBHGXENIUVKB-UHFFFAOYSA-N 1 0 389.455 4.231 20 0 GIADRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)C23C[C@H]4C[C@@H](C2)CC(C(F)(F)F)(C4)C3)CC1 ZINC000569118754 822881221 /nfs/dbraw/zinc/88/12/21/822881221.db2.gz HTCGKRDAKCDWMO-YBNKYDRFSA-N 1 0 398.513 4.372 20 0 GIADRO Cc1cccc(CN(C)C(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)n1 ZINC000457492998 822881386 /nfs/dbraw/zinc/88/13/86/822881386.db2.gz WZXDIXWRIRUJOH-IBGZPJMESA-N 1 0 386.565 4.066 20 0 GIADRO C[C@@H]([NH2+]Cc1cc(Br)cc(Br)c1N)c1cccnc1 ZINC000186361352 822882087 /nfs/dbraw/zinc/88/20/87/822882087.db2.gz SQEBHUUOLAGAAW-SECBINFHSA-N 1 0 385.103 4.040 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1sc(C)cc1Br)c1ccco1 ZINC000457503695 822883019 /nfs/dbraw/zinc/88/30/19/822883019.db2.gz MSAFHXPQUILVBV-CYBMUJFWSA-N 1 0 385.327 4.225 20 0 GIADRO COc1cc2[nH]c(CCC[NH2+][C@@H]3CCCc4c(O)cccc43)cc2c(OC)c1 ZINC000569147401 822883865 /nfs/dbraw/zinc/88/38/65/822883865.db2.gz ZVIIZHQIASKIDQ-HXUWFJFHSA-N 1 0 380.488 4.491 20 0 GIADRO Cc1c(Cl)cccc1NC(=O)CC[NH2+]Cc1ccc2c(c1)COC(C)(C)O2 ZINC000186373606 822883979 /nfs/dbraw/zinc/88/39/79/822883979.db2.gz PZAVWUBZNOIVDL-UHFFFAOYSA-N 1 0 388.895 4.412 20 0 GIADRO COC(=O)c1csc([C@H](C)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000569150285 822884198 /nfs/dbraw/zinc/88/41/98/822884198.db2.gz YUAPSHYIZPNNAT-FAXKSRBJSA-N 1 0 384.545 4.381 20 0 GIADRO COc1ccccc1[C@@H](C[NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1)OC(C)C ZINC000186378888 822884940 /nfs/dbraw/zinc/88/49/40/822884940.db2.gz IGESLQGKTYEPCT-VGOFRKELSA-N 1 0 398.503 4.469 20 0 GIADRO CC[C@@H](NC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1)c1ccncc1 ZINC000175114692 822885152 /nfs/dbraw/zinc/88/51/52/822885152.db2.gz GFGHWACZACFSKZ-JOCHJYFZSA-N 1 0 380.536 4.264 20 0 GIADRO CCCOc1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)cc1OC ZINC000569155357 822885404 /nfs/dbraw/zinc/88/54/04/822885404.db2.gz CLLICJWXCMPWAM-YPAWHYETSA-N 1 0 381.516 4.489 20 0 GIADRO COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@H](C)c3csc(C(C)C)n3)C2)c1 ZINC000186383173 822885431 /nfs/dbraw/zinc/88/54/31/822885431.db2.gz FBRAIYUVHWODOU-HZPDHXFCSA-N 1 0 389.565 4.461 20 0 GIADRO COc1ccccc1[C@@H](C[NH2+][C@@H](c1cnn(C)c1)c1cccc(F)c1)OC(C)C ZINC000186383252 822885620 /nfs/dbraw/zinc/88/56/20/822885620.db2.gz MNTAISMUONSDDV-DHIUTWEWSA-N 1 0 397.494 4.413 20 0 GIADRO CC[C@@]1(C[NH2+]Cc2ccc(Oc3cnccn3)cc2)OCCc2ccccc21 ZINC000569157809 822885677 /nfs/dbraw/zinc/88/56/77/822885677.db2.gz IHPMXHZZFWXHHU-QHCPKHFHSA-N 1 0 375.472 4.237 20 0 GIADRO Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000175120319 822885953 /nfs/dbraw/zinc/88/59/53/822885953.db2.gz SLLHQHBRWXUAEI-XLIONFOSSA-N 1 0 394.519 4.194 20 0 GIADRO CCc1cnc(CNC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)s1 ZINC000175121088 822886312 /nfs/dbraw/zinc/88/63/12/822886312.db2.gz TUCGSPGOPLMMMJ-INIZCTEOSA-N 1 0 386.565 4.079 20 0 GIADRO CC(=O)Nc1ccc(Cl)c(C(=O)N(CC[NH+]2CCCCCC2)C2CCC2)c1 ZINC000569162468 822886402 /nfs/dbraw/zinc/88/64/02/822886402.db2.gz UGIHQJDQGLOBPG-UHFFFAOYSA-N 1 0 391.943 4.169 20 0 GIADRO CC(=O)Nc1ccc(Cl)c(NC(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000054446281 822886691 /nfs/dbraw/zinc/88/66/91/822886691.db2.gz ZYTPCXZEXZFZKM-ZIAGYGMSSA-N 1 0 394.947 4.176 20 0 GIADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2ccc(Oc3cccc(F)c3)cn2)C1 ZINC000457531958 822886867 /nfs/dbraw/zinc/88/68/67/822886867.db2.gz WWBYJXNDXGTOCF-SCTDSRPQSA-N 1 0 397.494 4.490 20 0 GIADRO O=C([C@@H]1C[C@H]1c1cccc2ccccc21)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000175125620 822887475 /nfs/dbraw/zinc/88/74/75/822887475.db2.gz ADTHFIQYPGJWHQ-BJKOFHAPSA-N 1 0 392.543 4.047 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCCC1)NC1CCC(C(F)F)CC1 ZINC000457539747 822887861 /nfs/dbraw/zinc/88/78/61/822887861.db2.gz NKZSMIFSJRFOSX-UHFFFAOYSA-N 1 0 379.495 4.296 20 0 GIADRO CCn1ncc2cc(-c3nc(-c4ccc(C[NH+]5CCCC5)cc4)no3)c(C)nc21 ZINC000569169556 822887845 /nfs/dbraw/zinc/88/78/45/822887845.db2.gz SONBEXKVKOTMBN-UHFFFAOYSA-N 1 0 388.475 4.072 20 0 GIADRO COC(=O)N1CCC([C@@H](C)[NH2+]Cc2nc3ccccc3c(C)c2Cl)CC1 ZINC000186396809 822887816 /nfs/dbraw/zinc/88/78/16/822887816.db2.gz QONJISHJMLTBSD-CQSZACIVSA-N 1 0 375.900 4.153 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)cc1 ZINC000457542173 822888011 /nfs/dbraw/zinc/88/80/11/822888011.db2.gz XWNQBKGSQMAJEK-NRFANRHFSA-N 1 0 391.519 4.061 20 0 GIADRO Cc1cccc2c1OC[C@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)C3CCCC3)cc1)C2 ZINC000569175124 822888691 /nfs/dbraw/zinc/88/86/91/822888691.db2.gz ZSNOYGVRAUEZRG-YLJYHZDGSA-N 1 0 399.556 4.366 20 0 GIADRO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+]C1(Cc2ccccc2)CCOCC1 ZINC000569189893 822890591 /nfs/dbraw/zinc/89/05/91/822890591.db2.gz TZVGAGYLETVBTH-KRWDZBQOSA-N 1 0 386.923 4.357 20 0 GIADRO C[C@@H]1CN(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)CC[N@@H+](C2CC2)C1 ZINC000457557734 822890589 /nfs/dbraw/zinc/89/05/89/822890589.db2.gz SQGJMMMIPHUDHB-SUMWQHHRSA-N 1 0 379.957 4.003 20 0 GIADRO Cn1cc([C@@H]([NH2+]CCc2cn(C)c3cc(F)ccc23)c2cccc(F)c2)cn1 ZINC000186415894 822890791 /nfs/dbraw/zinc/89/07/91/822890791.db2.gz IDSZVUPYRHXHRK-QFIPXVFZSA-N 1 0 380.442 4.112 20 0 GIADRO Cn1cc(CC[NH2+]C2CCC3(CC2)C(=O)Nc2ccccc23)c2ccc(F)cc21 ZINC000186415228 822890928 /nfs/dbraw/zinc/89/09/28/822890928.db2.gz HVQVANTTWMMPPR-UHFFFAOYSA-N 1 0 391.490 4.282 20 0 GIADRO CCOc1cccc(NC(=O)N(C)c2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000569191543 822890938 /nfs/dbraw/zinc/89/09/38/822890938.db2.gz ANXAEPJECJQZRU-UHFFFAOYSA-N 1 0 383.492 4.228 20 0 GIADRO O=C(Nc1ccc(OCC(F)(F)F)cc1)NC1CC[NH+](C2CCCC2)CC1 ZINC000175143898 822890985 /nfs/dbraw/zinc/89/09/85/822890985.db2.gz HIURPPZIVVOJID-UHFFFAOYSA-N 1 0 385.430 4.156 20 0 GIADRO CCO[C@@H]1C[C@@H]([NH2+]CCc2nc(-c3ccccc3)c(C)s2)C12CCOCC2 ZINC000186419575 822891549 /nfs/dbraw/zinc/89/15/49/822891549.db2.gz KETJTGXWJXLCSD-RTBURBONSA-N 1 0 386.561 4.225 20 0 GIADRO CCOC(=O)N1CCC([C@@H](C)[NH2+]Cc2ncc(-c3ccc(Cl)cc3)o2)CC1 ZINC000186419462 822891645 /nfs/dbraw/zinc/89/16/45/822891645.db2.gz URBMRCFSYXGWEP-CQSZACIVSA-N 1 0 391.899 4.342 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)COCc2cccc(Cl)c2)CC1 ZINC000457567352 822892320 /nfs/dbraw/zinc/89/23/20/822892320.db2.gz GSCYEJMBZATPDE-QGZVFWFLSA-N 1 0 386.923 4.198 20 0 GIADRO Cc1cc(C(=O)OC(C)(C)C)cc(C(=O)N(CC(C)C)C2CC[NH+](C)CC2)c1 ZINC000457571170 822892839 /nfs/dbraw/zinc/89/28/39/822892839.db2.gz HGIKARPIQGSVLD-UHFFFAOYSA-N 1 0 388.552 4.143 20 0 GIADRO CCOC(=O)N1CCC([C@@H](C)[NH2+]Cc2csc(Cc3ccccc3)n2)CC1 ZINC000186427399 822893165 /nfs/dbraw/zinc/89/31/65/822893165.db2.gz IWBNXCOYSQPHIW-MRXNPFEDSA-N 1 0 387.549 4.081 20 0 GIADRO COC[C@@H](C)OC[C@H](O)C[NH2+]C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000569212808 822893509 /nfs/dbraw/zinc/89/35/09/822893509.db2.gz RVDTWJFXMMYRSA-AUUYWEPGSA-N 1 0 398.330 4.085 20 0 GIADRO CCOC(=O)N1CCC([C@H](C)[NH2+]Cc2nc(-c3cccs3)oc2C)CC1 ZINC000186431403 822894128 /nfs/dbraw/zinc/89/41/28/822894128.db2.gz CRCYMKNEHDIMML-ZDUSSCGKSA-N 1 0 377.510 4.058 20 0 GIADRO Cc1c[nH+]ccc1N1CCC(c2nc(C3(c4ccc(F)cc4)CC3)no2)CC1 ZINC000569228723 822894710 /nfs/dbraw/zinc/89/47/10/822894710.db2.gz WPBDRLHRRMFSSC-UHFFFAOYSA-N 1 0 378.451 4.376 20 0 GIADRO O=C(NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000569228737 822894718 /nfs/dbraw/zinc/89/47/18/822894718.db2.gz GRBIYHQASHESCL-KONPQCLYSA-N 1 0 386.433 4.004 20 0 GIADRO O=C(Nc1ccc(-c2c[nH]cn2)cc1)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000569248614 822896441 /nfs/dbraw/zinc/89/64/41/822896441.db2.gz SMZNEEFTOZRXBO-LJQANCHMSA-N 1 0 396.441 4.173 20 0 GIADRO CC(=O)N(c1nc(C[NH2+]C2Cc3ccccc3C2)cs1)c1ccc(C)cc1 ZINC000186445949 822897039 /nfs/dbraw/zinc/89/70/39/822897039.db2.gz YKJZVHHUHUNPTL-UHFFFAOYSA-N 1 0 377.513 4.393 20 0 GIADRO CCOc1c(F)cccc1C(=O)Nc1ccc(C[NH+]2CCSCC2)cc1C ZINC000175172716 822897454 /nfs/dbraw/zinc/89/74/54/822897454.db2.gz AGJJTULUGZUOKR-UHFFFAOYSA-N 1 0 388.508 4.334 20 0 GIADRO CC[C@H](c1ccc(Br)cc1)[NH+]1CCC([C@@H]2NC(=O)C2(C)C)CC1 ZINC000569255622 822897508 /nfs/dbraw/zinc/89/75/08/822897508.db2.gz BCKVJHMNVNAFCT-SJORKVTESA-N 1 0 379.342 4.137 20 0 GIADRO CC[C@@H](c1ccc(Br)cc1)[NH+]1CCC([C@@H]2NC(=O)C2(C)C)CC1 ZINC000569255621 822897571 /nfs/dbraw/zinc/89/75/71/822897571.db2.gz BCKVJHMNVNAFCT-IRXDYDNUSA-N 1 0 379.342 4.137 20 0 GIADRO O=C(c1cnc2ccccc2c1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000457621028 822898013 /nfs/dbraw/zinc/89/80/13/822898013.db2.gz USAXZAPGHBTXKM-RUZDIDTESA-N 1 0 385.511 4.363 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O)c1ccc(Cl)nc1 ZINC000186459423 822898911 /nfs/dbraw/zinc/89/89/11/822898911.db2.gz BHHBUCFACRGVGV-SMDDNHRTSA-N 1 0 383.801 4.210 20 0 GIADRO Cc1cc(Br)c(C(=O)NCC2CC[NH+](CCC(C)C)CC2)s1 ZINC000457630192 822899035 /nfs/dbraw/zinc/89/90/35/822899035.db2.gz LQQDURZYDGPZJU-UHFFFAOYSA-N 1 0 387.387 4.307 20 0 GIADRO C[C@@H]([NH2+]C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)c1nccs1 ZINC000186465045 822899700 /nfs/dbraw/zinc/89/97/00/822899700.db2.gz QOUDQEKCSOLXIU-GFCCVEGCSA-N 1 0 383.439 4.117 20 0 GIADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)c2ccc(OC(C)(C)C)cc2)c1 ZINC000569275001 822899729 /nfs/dbraw/zinc/89/97/29/822899729.db2.gz UOAIVJFKICWDBZ-UHFFFAOYSA-N 1 0 397.519 4.397 20 0 GIADRO CC(C)c1cccc(CC(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)c1 ZINC000457640098 822900005 /nfs/dbraw/zinc/90/00/05/822900005.db2.gz ZJRXRIRYCJTPFF-UHFFFAOYSA-N 1 0 380.532 4.196 20 0 GIADRO Cc1c(Cl)cncc1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000457643244 822900112 /nfs/dbraw/zinc/90/01/12/822900112.db2.gz CSVKBFWBBWUYIZ-RXVVDRJESA-N 1 0 383.923 4.170 20 0 GIADRO Cc1ncc([C@@H](C)[NH2+]C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)s1 ZINC000186468442 822900364 /nfs/dbraw/zinc/90/03/64/822900364.db2.gz LTGKYNJEIOLPST-GFCCVEGCSA-N 1 0 397.466 4.426 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@H](C)c1nc2c(s1)CCC2 ZINC000457646302 822900635 /nfs/dbraw/zinc/90/06/35/822900635.db2.gz JWJOPOHPDDCIDE-OAHLLOKOSA-N 1 0 386.565 4.032 20 0 GIADRO O=C(c1cnc2ccccc2c1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000457647866 822900968 /nfs/dbraw/zinc/90/09/68/822900968.db2.gz IPCDNBIGHKIBOE-XUZZJYLKSA-N 1 0 385.511 4.362 20 0 GIADRO C[C@H](NC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)c1cncc(F)c1 ZINC000457654886 822901968 /nfs/dbraw/zinc/90/19/68/822901968.db2.gz PAEGPMAIGOZXMW-IRXDYDNUSA-N 1 0 384.499 4.156 20 0 GIADRO Cc1c([C@H](C)[NH2+]CCc2nn(C)c3ccccc23)cnn1-c1ccc(F)cc1 ZINC000186485090 822902859 /nfs/dbraw/zinc/90/28/59/822902859.db2.gz AGWMRRMXEYAMOB-HNNXBMFYSA-N 1 0 377.467 4.100 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@H]2CCc3cnn(C(C)C)c3C2)nnn1-c1cccc(Cl)c1 ZINC000569300625 822904208 /nfs/dbraw/zinc/90/42/08/822904208.db2.gz CSIMYLYYWLZTJC-KSSFIOAISA-N 1 0 398.942 4.215 20 0 GIADRO CC[NH+](CC)CCOc1ccc(CNC(=O)NC2CCC(C(F)F)CC2)cc1 ZINC000457672165 822904525 /nfs/dbraw/zinc/90/45/25/822904525.db2.gz VFUWVVGLTKHZRT-UHFFFAOYSA-N 1 0 397.510 4.030 20 0 GIADRO Cc1cc(NC(=O)[C@H](C)CC(F)(F)F)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000457675027 822905033 /nfs/dbraw/zinc/90/50/33/822905033.db2.gz MPIJWTHFVGZGGT-RHSMWYFYSA-N 1 0 394.441 4.166 20 0 GIADRO CCCOc1c(Cl)cc(C[N@@H+]2CCSC3(CCOCC3)C2)cc1OC ZINC000186500445 822905276 /nfs/dbraw/zinc/90/52/76/822905276.db2.gz YKQJPRDKQAYLSB-UHFFFAOYSA-N 1 0 385.957 4.235 20 0 GIADRO CC[C@H](CC(F)F)C(=O)Nc1cc(C)nn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000457692313 822907473 /nfs/dbraw/zinc/90/74/73/822907473.db2.gz ZNQCFLFENPSOTK-MSOLQXFVSA-N 1 0 390.478 4.258 20 0 GIADRO COc1cccc([C@@H](CNC(=O)N[C@H](C)c2ccc(C)s2)[NH+]2CCCC2)c1 ZINC000054732086 822908536 /nfs/dbraw/zinc/90/85/36/822908536.db2.gz HUKIZYDZPQZEFL-VQIMIIECSA-N 1 0 387.549 4.262 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N1CC[C@@H](c2cccnc2)C1 ZINC000569337660 822909243 /nfs/dbraw/zinc/90/92/43/822909243.db2.gz NAEBRVAOLYNHAS-OAQYLSRUSA-N 1 0 378.520 4.131 20 0 GIADRO CC(C)[N@@H+](Cc1ccc(NC(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)cc1)C[C@@H]1CCCCO1 ZINC000457709721 822909573 /nfs/dbraw/zinc/90/95/73/822909573.db2.gz ODKVRFGPKQSFNJ-VXSCBNMQSA-N 1 0 398.547 4.020 20 0 GIADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)C1 ZINC000457730682 822911840 /nfs/dbraw/zinc/91/18/40/822911840.db2.gz IKCVOVBGNROIBK-NQIIRXRSSA-N 1 0 397.567 4.312 20 0 GIADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Nc1cccc(COCc2ccco2)c1 ZINC000175241229 822911943 /nfs/dbraw/zinc/91/19/43/822911943.db2.gz YZYVNZOCZLIZPX-HXUWFJFHSA-N 1 0 385.508 4.335 20 0 GIADRO C[NH+](C)C[C@H](NC(=O)CSc1nccc2ccccc21)c1ccc(Cl)cc1 ZINC000569373546 822912722 /nfs/dbraw/zinc/91/27/22/822912722.db2.gz JEPZXHCDWUMTSG-IBGZPJMESA-N 1 0 399.947 4.399 20 0 GIADRO Cc1csc([C@@H](C)C[NH2+][C@H](C)CC(=O)N(C)Cc2ccccc2Cl)n1 ZINC000186562069 822913603 /nfs/dbraw/zinc/91/36/03/822913603.db2.gz VWTHPJHHQGTJHX-UONOGXRCSA-N 1 0 379.957 4.235 20 0 GIADRO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)N1C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000457745607 822913680 /nfs/dbraw/zinc/91/36/80/822913680.db2.gz NRJSIOUGNGNSFU-GVDBMIGSSA-N 1 0 377.495 4.259 20 0 GIADRO Cc1ccc(C(=O)C2CCN(C(=O)NCC(C)(C)[N@@H+]3CCC[C@@H](C)C3)CC2)cc1 ZINC000054804837 822914278 /nfs/dbraw/zinc/91/42/78/822914278.db2.gz XQWYCKMCVUYDSW-LJQANCHMSA-N 1 0 399.579 4.110 20 0 GIADRO COc1cc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)cc(OC)c1O ZINC000569386347 822914330 /nfs/dbraw/zinc/91/43/30/822914330.db2.gz BGVAJWMDMYOXGG-OAHLLOKOSA-N 1 0 384.501 4.399 20 0 GIADRO Cc1cc(Br)c(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000457754352 822915112 /nfs/dbraw/zinc/91/51/12/822915112.db2.gz PHWCEVAEWVEOJX-MLGOLLRUSA-N 1 0 393.350 4.069 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000054839011 822916699 /nfs/dbraw/zinc/91/66/99/822916699.db2.gz ZXSDOUUZMZGPLM-INIZCTEOSA-N 1 0 386.565 4.352 20 0 GIADRO Clc1ccc(CN2CCC([NH2+]Cc3cncc(Br)c3)CC2)cc1 ZINC000186580987 822917026 /nfs/dbraw/zinc/91/70/26/822917026.db2.gz NUZHOPSHDOHJRV-UHFFFAOYSA-N 1 0 394.744 4.252 20 0 GIADRO COc1ccc(C[NH+](C)C)cc1NC(=O)[C@H](C)c1cccc(Br)c1 ZINC000569403980 822917611 /nfs/dbraw/zinc/91/76/11/822917611.db2.gz OULPEYUFYUPABK-CYBMUJFWSA-N 1 0 391.309 4.262 20 0 GIADRO COc1cc(C[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)ccc1OC(C)C ZINC000186587006 822918135 /nfs/dbraw/zinc/91/81/35/822918135.db2.gz ZBQKBIIILKBIJM-UHFFFAOYSA-N 1 0 387.495 4.191 20 0 GIADRO FC(F)(F)COc1cccc(C[NH2+]Cc2cncc(Br)c2)c1 ZINC000186590560 822918984 /nfs/dbraw/zinc/91/89/84/822918984.db2.gz TWCZFAWDQMEMPN-UHFFFAOYSA-N 1 0 375.188 4.075 20 0 GIADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCc2ccc(-c3ccccc3)cc2C1 ZINC000457785808 822919299 /nfs/dbraw/zinc/91/92/99/822919299.db2.gz LQQCVQFOHBHDLP-PKTZIBPZSA-N 1 0 375.516 4.048 20 0 GIADRO Cc1nc(-c2cccc(NC(=O)NC3CC[NH+](C4CCCC4)CC3)c2)oc1C ZINC000175266329 822919350 /nfs/dbraw/zinc/91/93/50/822919350.db2.gz IYUVLROBQKQKFB-UHFFFAOYSA-N 1 0 382.508 4.487 20 0 GIADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCc2ccc(-c3ccccc3)cc2C1 ZINC000457785807 822919384 /nfs/dbraw/zinc/91/93/84/822919384.db2.gz LQQCVQFOHBHDLP-GOTSBHOMSA-N 1 0 375.516 4.048 20 0 GIADRO COc1ccc(C(=O)C2CC[NH+](Cc3nc4ccccc4nc3C)CC2)cc1 ZINC000054886717 822919929 /nfs/dbraw/zinc/91/99/29/822919929.db2.gz XDGWRGGFGONDEF-UHFFFAOYSA-N 1 0 375.472 4.042 20 0 GIADRO O=C(Nc1ccncn1)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000569429523 822921567 /nfs/dbraw/zinc/92/15/67/822921567.db2.gz JLBHNGXGFURRLZ-NRFANRHFSA-N 1 0 393.535 4.165 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccccc1OC(F)F ZINC000175274060 822921692 /nfs/dbraw/zinc/92/16/92/822921692.db2.gz FDQDECVAIJHYCR-GOSISDBHSA-N 1 0 388.458 4.272 20 0 GIADRO CCCC(=O)Nc1cccc(NC(=O)N2CC[NH+]([C@H]3C[C@H]4CC[C@@H]3C4)CC2)c1C ZINC000175274613 822921704 /nfs/dbraw/zinc/92/17/04/822921704.db2.gz QZIZYVNDRYUHDG-UEXGIBASSA-N 1 0 398.551 4.072 20 0 GIADRO C[C@H](C(=O)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1)c1ccc(Cl)s1 ZINC000186602914 822922045 /nfs/dbraw/zinc/92/20/45/822922045.db2.gz OLWROYRPIGREPQ-HOCLYGCPSA-N 1 0 377.941 4.071 20 0 GIADRO O=C(Nc1ccc([C@@H]2CCOC2)cc1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000569430859 822922110 /nfs/dbraw/zinc/92/21/10/822922110.db2.gz YHZWJJBSBJFIPA-OAQYLSRUSA-N 1 0 393.531 4.019 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(OC(F)F)cc1 ZINC000175277273 822922428 /nfs/dbraw/zinc/92/24/28/822922428.db2.gz CUQAULXDRBZKML-GOSISDBHSA-N 1 0 388.458 4.272 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cc1c[nH]c2cc(C)ccc12 ZINC000175277782 822922499 /nfs/dbraw/zinc/92/24/99/822922499.db2.gz GBOVSSLIEYPUTL-OAQYLSRUSA-N 1 0 389.543 4.389 20 0 GIADRO C[C@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(c1ccccc1)c1ccccc1 ZINC000457821738 822922707 /nfs/dbraw/zinc/92/27/07/822922707.db2.gz XHULYBWTFONPDL-IRFPFTSISA-N 1 0 377.532 4.131 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1coc(-c2ccccc2)n1 ZINC000175279378 822922758 /nfs/dbraw/zinc/92/27/58/822922758.db2.gz XZEYKMMNJUDVOB-FQEVSTJZSA-N 1 0 389.499 4.326 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1nc(Cl)ccc1Cl ZINC000175280020 822923070 /nfs/dbraw/zinc/92/30/70/822923070.db2.gz BETMVCNNFLSSLA-INIZCTEOSA-N 1 0 392.330 4.373 20 0 GIADRO Fc1cccc(Oc2ccc(C[NH2+]Cc3cncc(Br)c3)cn2)c1 ZINC000186612257 822923571 /nfs/dbraw/zinc/92/35/71/822923571.db2.gz OLQZBTWSBQIFDC-UHFFFAOYSA-N 1 0 388.240 4.460 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)NCc2nc3ccccc3s2)CC[N@@H+]1Cc1ccccc1 ZINC000175283476 822923766 /nfs/dbraw/zinc/92/37/66/822923766.db2.gz MFIMUZAWKUUWQP-SJLPKXTDSA-N 1 0 394.544 4.149 20 0 GIADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)N[C@@H](c3ccccc3)c3ccc(F)cc3)C2)C1 ZINC000457834005 822923994 /nfs/dbraw/zinc/92/39/94/822923994.db2.gz QQJPDPGHJQYAIH-GMAHTHKFSA-N 1 0 381.495 4.042 20 0 GIADRO CSc1ccc([C@H](CNC(=O)NCc2nccc3ccccc32)[NH+](C)C)cc1 ZINC000457833763 822924055 /nfs/dbraw/zinc/92/40/55/822924055.db2.gz SMQJMTHXMPQCBZ-NRFANRHFSA-N 1 0 394.544 4.059 20 0 GIADRO Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)s1 ZINC000054948122 822924047 /nfs/dbraw/zinc/92/40/47/822924047.db2.gz GSKIGZRBOMXDHM-DOTOQJQBSA-N 1 0 399.560 4.104 20 0 GIADRO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]Cc1ccc(C(C)(C)O)cc1 ZINC000186620172 822924999 /nfs/dbraw/zinc/92/49/99/822924999.db2.gz ITWQUEKJNVLKHH-INIZCTEOSA-N 1 0 388.939 4.094 20 0 GIADRO O=C(Nc1ccc(OC2CCCC2)c(Cl)c1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000569452878 822925123 /nfs/dbraw/zinc/92/51/23/822925123.db2.gz RQMDWTUUVHQJHL-GASCZTMLSA-N 1 0 377.916 4.125 20 0 GIADRO COc1ccc(C[C@@H]2CCC[N@@H+]([C@H](C)c3nc(-c4cccnc4)no3)C2)cc1 ZINC000569467220 822926695 /nfs/dbraw/zinc/92/66/95/822926695.db2.gz ZHGSOTYDKOZRCO-AEFFLSMTSA-N 1 0 378.476 4.156 20 0 GIADRO COc1ccc(C[N@@H+]2CCCN(C(=O)[C@H](C)c3ccc(Cl)s3)CC2)cc1 ZINC000175294369 822927207 /nfs/dbraw/zinc/92/72/07/822927207.db2.gz VTCWJWSHORJPTF-OAHLLOKOSA-N 1 0 392.952 4.248 20 0 GIADRO Cc1cccc(C)c1Oc1ccccc1NC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000569474023 822927293 /nfs/dbraw/zinc/92/72/93/822927293.db2.gz IDIRYYVTYBYRCP-IBGZPJMESA-N 1 0 390.487 4.469 20 0 GIADRO CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000186641792 822928030 /nfs/dbraw/zinc/92/80/30/822928030.db2.gz VMHCECPXYAHEDF-NFBKMPQASA-N 1 0 397.494 4.277 20 0 GIADRO COc1ccc(Br)cc1C[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000569484036 822928261 /nfs/dbraw/zinc/92/82/61/822928261.db2.gz NORLAEQPRUTQPD-UHFFFAOYSA-N 1 0 390.306 4.266 20 0 GIADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=S)Nc1ccc(SC(F)F)cc1 ZINC000054990841 822928979 /nfs/dbraw/zinc/92/89/79/822928979.db2.gz PVZUNRGAVDBYLF-MRXNPFEDSA-N 1 0 395.544 4.461 20 0 GIADRO O=C(Nc1ccc2oc(C(F)(F)F)nc2c1)NC1CC[NH+](C2CCCC2)CC1 ZINC000175302005 822929665 /nfs/dbraw/zinc/92/96/65/822929665.db2.gz KENXRKAPHBLWJG-UHFFFAOYSA-N 1 0 396.413 4.375 20 0 GIADRO O=C(Nc1ccccc1)NC1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000055031722 822932596 /nfs/dbraw/zinc/93/25/96/822932596.db2.gz KPWNQTILWFQJNG-UHFFFAOYSA-N 1 0 377.410 4.492 20 0 GIADRO C[C@@H]([NH2+]CCc1nc2ccccc2n1C)c1ccc(Br)cc1F ZINC000569528845 822934978 /nfs/dbraw/zinc/93/49/78/822934978.db2.gz NFXSHVXVBJTYQA-GFCCVEGCSA-N 1 0 376.273 4.368 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CCCc1ccccc1Cl ZINC000569533190 822935716 /nfs/dbraw/zinc/93/57/16/822935716.db2.gz FBUQJYFMRNETHI-UHFFFAOYSA-N 1 0 385.939 4.362 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)Nc2cc(Br)ccc2OCC)CC1 ZINC000175334181 822938363 /nfs/dbraw/zinc/93/83/63/822938363.db2.gz AANVGXOSSMMTNX-UHFFFAOYSA-N 1 0 398.345 4.186 20 0 GIADRO C[C@H]1c2c(F)cccc2CCN1C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000569556806 822939453 /nfs/dbraw/zinc/93/94/53/822939453.db2.gz GEUHJYXOKLYEHQ-NSHDSACASA-N 1 0 381.373 4.454 20 0 GIADRO CCSc1ccc(Cl)cc1C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000175342001 822940013 /nfs/dbraw/zinc/94/00/13/822940013.db2.gz RHZZULCLBUJROW-UHFFFAOYSA-N 1 0 384.973 4.025 20 0 GIADRO O=C(CC[N@@H+]1CC[C@]2(C1)OCc1ccccc12)Nc1ccccc1C(F)(F)F ZINC000186699010 822940098 /nfs/dbraw/zinc/94/00/98/822940098.db2.gz XHRQYXCGRDLAGA-HXUWFJFHSA-N 1 0 390.405 4.165 20 0 GIADRO Cc1c(NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cccc1-c1ncco1 ZINC000569561827 822940330 /nfs/dbraw/zinc/94/03/30/822940330.db2.gz KIUUCCNIOQFSAT-PMACEKPBSA-N 1 0 376.460 4.217 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000457939336 822940742 /nfs/dbraw/zinc/94/07/42/822940742.db2.gz POXUCTKBGMAAGA-AEFFLSMTSA-N 1 0 386.565 4.304 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000457939338 822940761 /nfs/dbraw/zinc/94/07/61/822940761.db2.gz POXUCTKBGMAAGA-SJLPKXTDSA-N 1 0 386.565 4.304 20 0 GIADRO CC[C@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1)c1cccc(Cl)c1 ZINC000186705299 822941122 /nfs/dbraw/zinc/94/11/22/822941122.db2.gz BFSQPEUFWGNZBQ-SFHVURJKSA-N 1 0 396.915 4.260 20 0 GIADRO Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000569579409 822941881 /nfs/dbraw/zinc/94/18/81/822941881.db2.gz KRFDWSPUDLSDHG-NVXWUHKLSA-N 1 0 389.952 4.376 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)c3cc(Br)co3)C2)s1 ZINC000569583223 822942175 /nfs/dbraw/zinc/94/21/75/822942175.db2.gz LLRUHBZQCPCRSU-CYBMUJFWSA-N 1 0 397.338 4.006 20 0 GIADRO CCc1nc2ccccc2n1C1CCN(C(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000569600717 822943522 /nfs/dbraw/zinc/94/35/22/822943522.db2.gz JQPMLDLGUCLLEW-GAJHUEQPSA-N 1 0 390.531 4.098 20 0 GIADRO COc1ccc(OC(C)C)c(NC(=O)NC2CC[NH+](C3CCCC3)CC2)c1 ZINC000175355385 822943806 /nfs/dbraw/zinc/94/38/06/822943806.db2.gz ZZWZVVAPAGPEPH-UHFFFAOYSA-N 1 0 375.513 4.011 20 0 GIADRO CN(CC[N@H+](C)C1CC1)C(=O)c1ccccc1CSc1nc2ccccc2[nH]1 ZINC000186719730 822944180 /nfs/dbraw/zinc/94/41/80/822944180.db2.gz DOBWYBNIHXSWAL-UHFFFAOYSA-N 1 0 394.544 4.021 20 0 GIADRO CSc1nnc(CCC[NH2+]C2CC(c3cccc(F)c3)C2)n1CC(C)C ZINC000569615529 822945209 /nfs/dbraw/zinc/94/52/09/822945209.db2.gz NDJGHPKAQMGDGT-UHFFFAOYSA-N 1 0 376.545 4.264 20 0 GIADRO C[C@@H](C[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1)c1nccs1 ZINC000186730705 822946463 /nfs/dbraw/zinc/94/64/63/822946463.db2.gz FHNBYFJMNMTMBR-GJZGRUSLSA-N 1 0 378.563 4.314 20 0 GIADRO CCOC(=O)c1csc(CC[NH2+]C[C@H](C)c2ccc(C(F)(F)F)cc2)n1 ZINC000569624890 822946480 /nfs/dbraw/zinc/94/64/80/822946480.db2.gz CUUZDDPEZPBAGL-LBPRGKRZSA-N 1 0 386.439 4.274 20 0 GIADRO C[C@@H](Nc1ccc(C(=O)N2CCCC2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000569625954 822946554 /nfs/dbraw/zinc/94/65/54/822946554.db2.gz WVBRSYFTAQOTQI-KNQAVFIVSA-N 1 0 377.532 4.245 20 0 GIADRO CCO[C@H]1C[C@@]([NH3+])(C(=O)Nc2ccc3c(c2)c2ccccc2n3CC)C1(C)C ZINC000186734760 822947119 /nfs/dbraw/zinc/94/71/19/822947119.db2.gz LTEDLHUHWGKEEO-NZQKXSOJSA-N 1 0 379.504 4.285 20 0 GIADRO CSC1(C[NH2+]CC2(c3ccc(Br)cc3)CCOCC2)CCC1 ZINC000569634021 822947790 /nfs/dbraw/zinc/94/77/90/822947790.db2.gz LCWWXJFOASDDTG-UHFFFAOYSA-N 1 0 384.383 4.373 20 0 GIADRO C[C@H](CN1CCCCCC1)[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000186737641 822947854 /nfs/dbraw/zinc/94/78/54/822947854.db2.gz BVLWPQRLSSUKFL-JKSUJKDBSA-N 1 0 385.474 4.277 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)[C@@H]1Cc2ccccc2C(=O)O1)C1CCCCC1 ZINC000055252150 822947983 /nfs/dbraw/zinc/94/79/83/822947983.db2.gz BJLJQGWSSHIOGU-QFIPXVFZSA-N 1 0 392.499 4.171 20 0 GIADRO COc1ccc(C[C@H](C)[NH2+][C@@H](CO)c2cccc(Cl)c2F)c(C)c1OC ZINC000569635718 822948064 /nfs/dbraw/zinc/94/80/64/822948064.db2.gz FLTODFKBLQSLHT-SJCJKPOMSA-N 1 0 381.875 4.059 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccc(OCC2CC2)cc1 ZINC000055312328 822950838 /nfs/dbraw/zinc/95/08/38/822950838.db2.gz WVYVZGIMIGAVHZ-UHFFFAOYSA-N 1 0 382.479 4.009 20 0 GIADRO COC1CCC([NH2+]Cc2cc(Br)ccc2Br)CC1 ZINC000186761837 822951225 /nfs/dbraw/zinc/95/12/25/822951225.db2.gz WKGWLPUAHAZPQT-UHFFFAOYSA-N 1 0 377.120 4.259 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)C2CCN(C(=O)OC)CC2)cc1OCC ZINC000186763193 822951259 /nfs/dbraw/zinc/95/12/59/822951259.db2.gz BQTLSKCKJYTEQB-HZPDHXFCSA-N 1 0 378.513 4.002 20 0 GIADRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)[C@@H](C)c2ccc(OC)cc2)cc1 ZINC000569675175 822953797 /nfs/dbraw/zinc/95/37/97/822953797.db2.gz UCGVRKRMEXIFQZ-ZACQAIPSSA-N 1 0 375.534 4.332 20 0 GIADRO CCc1sc(C(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)cc1Br ZINC000569680661 822954661 /nfs/dbraw/zinc/95/46/61/822954661.db2.gz OYLGRJAHAZXWPW-GFCCVEGCSA-N 1 0 385.371 4.019 20 0 GIADRO COc1cncc(/C=C/CC[NH2+][C@@H]2CCN(Cc3ccccc3)CC2(C)C)c1 ZINC000569689992 822955703 /nfs/dbraw/zinc/95/57/03/822955703.db2.gz CZHXFBMIZQSDHJ-GULCCPCXSA-N 1 0 379.548 4.384 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc2c(c1)OCO2)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000055375135 822955862 /nfs/dbraw/zinc/95/58/62/822955862.db2.gz FTZPQCURMQXYNZ-VXGBXAGGSA-N 1 0 380.366 4.112 20 0 GIADRO Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000186793053 822956190 /nfs/dbraw/zinc/95/61/90/822956190.db2.gz CQMPKKZSROUOOC-UHFFFAOYSA-N 1 0 382.291 4.123 20 0 GIADRO COc1cc(C)c(NC(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)cc1F ZINC000186794490 822956649 /nfs/dbraw/zinc/95/66/49/822956649.db2.gz CKZBVQGJYCMBNY-QGZVFWFLSA-N 1 0 375.444 4.003 20 0 GIADRO CC[C@@H](NC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)c1ccncc1 ZINC000175393395 822957116 /nfs/dbraw/zinc/95/71/16/822957116.db2.gz BFBXQYJLCUCINK-PGRDOPGGSA-N 1 0 380.536 4.407 20 0 GIADRO Cn1ncc2ccc(C[NH2+]Cc3cn(Cc4ccccc4)nc3C(C)(C)C)cc21 ZINC000569705492 822957327 /nfs/dbraw/zinc/95/73/27/822957327.db2.gz PSZPUMSFQFSVOB-UHFFFAOYSA-N 1 0 387.531 4.405 20 0 GIADRO CC[NH+](CC)CCSCC(=O)Nc1cccc(NC(=O)C2CCCCC2)c1 ZINC000175393919 822957686 /nfs/dbraw/zinc/95/76/86/822957686.db2.gz YVANQWKLOKHIRZ-UHFFFAOYSA-N 1 0 391.581 4.219 20 0 GIADRO O=C(CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1)NC(c1ccccc1)c1ccccc1 ZINC000569719383 822958580 /nfs/dbraw/zinc/95/85/80/822958580.db2.gz FGPOGPDEGJGKSH-DHIUTWEWSA-N 1 0 392.543 4.173 20 0 GIADRO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+]1CCSC2(CCOCC2)C1 ZINC000186808651 822958878 /nfs/dbraw/zinc/95/88/78/822958878.db2.gz PFXQJDAVCHBDFT-KRWDZBQOSA-N 1 0 376.566 4.043 20 0 GIADRO C[NH+](C)CC(C)(C)CNC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000055413570 822959047 /nfs/dbraw/zinc/95/90/47/822959047.db2.gz HAMDQLQQXZNUHG-UHFFFAOYSA-N 1 0 399.482 4.075 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)NCc2ccc(Cl)s2)CC[N@@H+]1Cc1ccccc1 ZINC000175400178 822959431 /nfs/dbraw/zinc/95/94/31/822959431.db2.gz YHILXZUDWDRJJB-ZBFHGGJFSA-N 1 0 377.941 4.254 20 0 GIADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2sc(C3CCCC3)nc2C)cc1 ZINC000569731918 822960062 /nfs/dbraw/zinc/96/00/62/822960062.db2.gz AZQCMNHPOXYMGD-SFHVURJKSA-N 1 0 387.549 4.150 20 0 GIADRO CC1CCN(c2cccc(NC(=O)NC3CC[NH+](C4CCCC4)CC3)c2)CC1 ZINC000175401983 822960064 /nfs/dbraw/zinc/96/00/64/822960064.db2.gz ZUVYJCKLXYBDGN-UHFFFAOYSA-N 1 0 384.568 4.451 20 0 GIADRO CCOc1ccc(NC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1F ZINC000175402698 822960189 /nfs/dbraw/zinc/96/01/89/822960189.db2.gz QIZJAVPLJDTJGC-DLBZAZTESA-N 1 0 377.504 4.343 20 0 GIADRO COC(=O)c1cc(C[N@H+](Cc2ccccc2)Cc2ccc(OC)cc2)cn1C ZINC000569741192 822961661 /nfs/dbraw/zinc/96/16/61/822961661.db2.gz NMWLUXWLGWBPHJ-UHFFFAOYSA-N 1 0 378.472 4.023 20 0 GIADRO COc1cccc(-c2ccc(C[NH2+]Cc3cc(OC)c(O)c(OC)c3)cc2)c1 ZINC000569740968 822961729 /nfs/dbraw/zinc/96/17/29/822961729.db2.gz GMUOIDKACPLVCG-UHFFFAOYSA-N 1 0 379.456 4.375 20 0 GIADRO CC[C@@H]([NH2+]Cc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1)c1cccc(F)c1 ZINC000569753614 822963878 /nfs/dbraw/zinc/96/38/78/822963878.db2.gz XFVHVIJJAMIADG-NFBKMPQASA-N 1 0 395.478 4.292 20 0 GIADRO COc1cc(C)c(NC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1F ZINC000186832941 822963977 /nfs/dbraw/zinc/96/39/77/822963977.db2.gz KNRAFKPFOMUORQ-KRWDZBQOSA-N 1 0 385.483 4.271 20 0 GIADRO O=C(Nc1cccc(C[N@H+]2CC[C@H](O)C23CCCC3)c1)c1ccccc1Cl ZINC000569754941 822964083 /nfs/dbraw/zinc/96/40/83/822964083.db2.gz XKLKNIRIKXSQLC-FQEVSTJZSA-N 1 0 384.907 4.472 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2nnc(C(C)(C)C)s2)[C@H]1c1cccs1 ZINC000175422359 822964827 /nfs/dbraw/zinc/96/48/27/822964827.db2.gz TXBZGIRYEQDZHN-JSGCOSHPSA-N 1 0 393.582 4.102 20 0 GIADRO CC[NH+](CC)CC(=O)Nc1cccc(NCc2c[nH]nc2-c2ccsc2)c1 ZINC000569763342 822965226 /nfs/dbraw/zinc/96/52/26/822965226.db2.gz YPMZKFISTHNQGC-UHFFFAOYSA-N 1 0 383.521 4.031 20 0 GIADRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@@H](c1ccccc1)C(F)(F)F ZINC000186840260 822965350 /nfs/dbraw/zinc/96/53/50/822965350.db2.gz RUNUYZMTRNQJIJ-JSGCOSHPSA-N 1 0 385.817 4.388 20 0 GIADRO c1ncn(Cc2ccccc2)c1Cc1nc(-c2cccc(C[NH+]3CCCC3)c2)no1 ZINC000569773092 822966792 /nfs/dbraw/zinc/96/67/92/822966792.db2.gz RLBSBJDFBZKPLS-UHFFFAOYSA-N 1 0 399.498 4.168 20 0 GIADRO CC(C)[C@@H](CNC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1cccnc1 ZINC000175431429 822967127 /nfs/dbraw/zinc/96/71/27/822967127.db2.gz LKUXYJITHUPWPO-WMZHIEFXSA-N 1 0 394.563 4.346 20 0 GIADRO C[N@H+](CCNC(=O)Nc1ccccc1CC(F)(F)F)Cc1ccc(F)cc1 ZINC000175433446 822967598 /nfs/dbraw/zinc/96/75/98/822967598.db2.gz SAPWQOKPFBZZCC-UHFFFAOYSA-N 1 0 383.389 4.184 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)c1csc(-c2ccc(F)cc2)n1 ZINC000458202630 822968203 /nfs/dbraw/zinc/96/82/03/822968203.db2.gz OARYKXZPKXEMCX-UHFFFAOYSA-N 1 0 389.521 4.215 20 0 GIADRO Cc1cc(NC(=O)c2cc(F)ccc2Br)ccc1OCC[NH+](C)C ZINC000458200796 822968222 /nfs/dbraw/zinc/96/82/22/822968222.db2.gz TYYGTBIWGIJVBL-UHFFFAOYSA-N 1 0 395.272 4.089 20 0 GIADRO Cc1nc(CCC(=O)N(CC[NH+](C)C)Cc2ccsc2)oc1-c1ccccc1 ZINC000458207165 822968741 /nfs/dbraw/zinc/96/87/41/822968741.db2.gz VZBSHEFHXFVZEJ-UHFFFAOYSA-N 1 0 397.544 4.235 20 0 GIADRO CC(C)c1noc(Cc2ccc(NC(=O)N(CC[NH+](C)C)C3CCCC3)cc2)n1 ZINC000569791207 822969667 /nfs/dbraw/zinc/96/96/67/822969667.db2.gz DOYFJOVKQWKSJI-UHFFFAOYSA-N 1 0 399.539 4.122 20 0 GIADRO Cc1c(C(=O)N(CC[NH+](C)C)Cc2ccsc2)cccc1-c1ccccn1 ZINC000458221593 822970389 /nfs/dbraw/zinc/97/03/89/822970389.db2.gz KBTKTSUIOIXQFR-UHFFFAOYSA-N 1 0 379.529 4.323 20 0 GIADRO C[C@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)[N@@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000569805102 822971437 /nfs/dbraw/zinc/97/14/37/822971437.db2.gz CULXXQFQMIUXGZ-MNOVXSKESA-N 1 0 378.263 4.317 20 0 GIADRO C[N@H+](CCCCNC(=O)NC1(c2cccc(Br)c2)CCC1)C1CC1 ZINC000458263819 822975304 /nfs/dbraw/zinc/97/53/04/822975304.db2.gz LTIQGUIHWFJNDQ-UHFFFAOYSA-N 1 0 394.357 4.002 20 0 GIADRO COc1cc(C[NH2+][C@@H](C)[C@H]2COc3ccccc32)cc(OC)c1OCC(F)F ZINC000569847083 822975556 /nfs/dbraw/zinc/97/55/56/822975556.db2.gz WTJQQVJQWJCORZ-XJKSGUPXSA-N 1 0 393.430 4.002 20 0 GIADRO Cc1cc(CSc2ccccc2C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)on1 ZINC000055541634 822976234 /nfs/dbraw/zinc/97/62/34/822976234.db2.gz KRAVXGUZURQFDB-UHFFFAOYSA-N 1 0 387.549 4.314 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)Nc1ccc(OC2CCC2)c(F)c1 ZINC000175475677 822977952 /nfs/dbraw/zinc/97/79/52/822977952.db2.gz NARQUVDRBHAZSF-GOSISDBHSA-N 1 0 387.455 4.309 20 0 GIADRO CC[C@@H](NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1nc(-c2ccccc2)c[nH]1 ZINC000569865056 822978080 /nfs/dbraw/zinc/97/80/80/822978080.db2.gz TXXFWBUPSOCXBS-LEWJYISDSA-N 1 0 388.515 4.166 20 0 GIADRO COC(=O)Cc1cccc(C(=O)Nc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)c1 ZINC000186909983 822978312 /nfs/dbraw/zinc/97/83/12/822978312.db2.gz JTTQEEGATJSQSS-KRWDZBQOSA-N 1 0 380.488 4.029 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)N1CCC(c2cccc(F)c2F)CC1)c1ccccc1 ZINC000569874514 822979179 /nfs/dbraw/zinc/97/91/79/822979179.db2.gz QDUGGYTTZTUPOD-HXUWFJFHSA-N 1 0 387.474 4.157 20 0 GIADRO CCC[C@@H](C)C[NH2+][C@@H](c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1F ZINC000569877405 822979634 /nfs/dbraw/zinc/97/96/34/822979634.db2.gz WBORELUHEPSDSS-VLIAUNLRSA-N 1 0 381.488 4.484 20 0 GIADRO C[NH+](C)C[C@@H](NC(=O)c1ccc(Oc2cccnc2)cc1)c1ccc(F)cc1 ZINC000569880404 822979913 /nfs/dbraw/zinc/97/99/13/822979913.db2.gz APHLMUHCUYETEE-OAQYLSRUSA-N 1 0 379.435 4.046 20 0 GIADRO Cc1cc(NC(=O)C2(c3ccc(F)cc3F)CCOCC2)ccc1C[NH+](C)C ZINC000458296423 822979988 /nfs/dbraw/zinc/97/99/88/822979988.db2.gz XOSGCLNZHDLWEN-UHFFFAOYSA-N 1 0 388.458 4.022 20 0 GIADRO CC(=O)N(c1ccc(NC(=O)c2cccc(C[NH+]3CCCC3)c2)cc1)[C@H]1C[C@H]1C ZINC000569881070 822980218 /nfs/dbraw/zinc/98/02/18/822980218.db2.gz XJDZXVVVKJXCNT-HXOBKFHXSA-N 1 0 391.515 4.296 20 0 GIADRO C[C@H]([NH2+]C[C@H](c1ccco1)N1CCCCC1)c1ncc(Br)cc1F ZINC000186921504 822980306 /nfs/dbraw/zinc/98/03/06/822980306.db2.gz IXRBYCYBLWMNFB-XJKSGUPXSA-N 1 0 396.304 4.454 20 0 GIADRO Cc1nc(C(C)(C)C)sc1C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000458302026 822980538 /nfs/dbraw/zinc/98/05/38/822980538.db2.gz WUZMIGWHICCAAT-UHFFFAOYSA-N 1 0 379.501 4.081 20 0 GIADRO O=C(Nc1cccc(Cl)c1F)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000569891828 822981438 /nfs/dbraw/zinc/98/14/38/822981438.db2.gz QUUXPTPAXVPVIB-SJORKVTESA-N 1 0 387.886 4.465 20 0 GIADRO CC[C@@H](C)[C@H]([NH2+]CCc1ccncc1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000569891041 822981622 /nfs/dbraw/zinc/98/16/22/822981622.db2.gz XXOHODAQOVWVQF-YKSBVNFPSA-N 1 0 393.575 4.110 20 0 GIADRO CCCOc1ccc([C@H](C)[NH2+][C@H](C)C2CCS(=O)(=O)CC2)cc1OCCC ZINC000186929853 822982357 /nfs/dbraw/zinc/98/23/57/822982357.db2.gz CZPNFYRDBMQLGH-SJORKVTESA-N 1 0 397.581 4.128 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)cc1F ZINC000458316490 822982557 /nfs/dbraw/zinc/98/25/57/822982557.db2.gz LZVLWJINESJAQU-KBPBESRZSA-N 1 0 376.394 4.073 20 0 GIADRO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2cnc(-c3ccc(Cl)cc3)s2)N1 ZINC000569913307 822985164 /nfs/dbraw/zinc/98/51/64/822985164.db2.gz DALIAJZBXOCALC-HNNXBMFYSA-N 1 0 380.864 4.310 20 0 GIADRO Cn1nc(-c2nc(-c3ccccc3C[NH+]3CCCCC3)no2)c2c1CCCC2 ZINC000569919899 822985740 /nfs/dbraw/zinc/98/57/40/822985740.db2.gz KGCNTATULFINIV-UHFFFAOYSA-N 1 0 377.492 4.002 20 0 GIADRO C[C@H]1c2c(Cl)cc(Cl)cc2CC[N@H+]1C[C@@H]1CCO[C@H]1c1ccnn1C ZINC000569932582 822987210 /nfs/dbraw/zinc/98/72/10/822987210.db2.gz HAJJIAUFFQBAHS-PTAUBWNISA-N 1 0 380.319 4.424 20 0 GIADRO CCc1nc([C@@H](C)NC(=O)NC[C@@H](c2ccc(SC)cc2)[NH+](C)C)cs1 ZINC000458370309 822987939 /nfs/dbraw/zinc/98/79/39/822987939.db2.gz OXJULDYJTPVHSR-DYVFJYSZSA-N 1 0 392.594 4.091 20 0 GIADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1cc(C)c2ccccc2n1 ZINC000175516197 822988721 /nfs/dbraw/zinc/98/87/21/822988721.db2.gz OXECEKUETRFYPC-UHFFFAOYSA-N 1 0 381.442 4.280 20 0 GIADRO COc1ccc(C2(C(=O)N(C)CCC[N@H+](C)Cc3ccco3)CCCC2)cc1 ZINC000569951462 822989279 /nfs/dbraw/zinc/98/92/79/822989279.db2.gz DPNCEHFFNKWJDW-UHFFFAOYSA-N 1 0 384.520 4.081 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCCC[C@H]2c2cccn2C)CC1 ZINC000175524075 822990583 /nfs/dbraw/zinc/99/05/83/822990583.db2.gz KMHVUDMFLUPAEE-CVDCTZTESA-N 1 0 394.563 4.487 20 0 GIADRO COc1ccccc1CC(=O)N1CCC([NH2+][C@@H]2C[C@H](C)c3ccccc32)CC1 ZINC000569964697 822990679 /nfs/dbraw/zinc/99/06/79/822990679.db2.gz OEUYCUGSPGPFES-HTAPYJJXSA-N 1 0 378.516 4.067 20 0 GIADRO Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000055673116 822996648 /nfs/dbraw/zinc/99/66/48/822996648.db2.gz SXNXWOJLFWAHPY-UHFFFAOYSA-N 1 0 394.302 4.125 20 0 GIADRO C[NH+](C)[C@H]1CCOc2c(NC(=O)c3cccc([C@H]4CCCOC4)c3)cccc21 ZINC000570018627 822997633 /nfs/dbraw/zinc/99/76/33/822997633.db2.gz FIQRKUBJMOJVSO-RXVVDRJESA-N 1 0 380.488 4.218 20 0 GIADRO Cc1ccc(NC(=O)C[C@H](C)[NH2+]Cc2cc3ccccc3n(C)c2=O)cc1Cl ZINC000570024187 822998376 /nfs/dbraw/zinc/99/83/76/822998376.db2.gz ICZRZJQZCBMVFK-HNNXBMFYSA-N 1 0 397.906 4.007 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)CCC(=O)c2ccc(OC)c(F)c2)c1 ZINC000175564798 822998526 /nfs/dbraw/zinc/99/85/26/822998526.db2.gz HWTOREAKTXDCHA-UHFFFAOYSA-N 1 0 386.467 4.278 20 0 GIADRO Cc1nccn1-c1ccc(C[NH2+]CCC(=O)Nc2ccc(Cl)cc2)cc1F ZINC000570026889 822998888 /nfs/dbraw/zinc/99/88/88/822998888.db2.gz JGFDYSGRSPTUED-UHFFFAOYSA-N 1 0 386.858 4.092 20 0 GIADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCC(c3ccsc3)CC2)CC1 ZINC000187022230 822999099 /nfs/dbraw/zinc/99/90/99/822999099.db2.gz TUXISLYEWGQQKO-QGZVFWFLSA-N 1 0 398.576 4.258 20 0 GIADRO Cc1cccnc1C(C)(C)C[NH2+]C[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1 ZINC000570038661 822999817 /nfs/dbraw/zinc/99/98/17/822999817.db2.gz GKKQAODRHLWACL-LPHOPBHVSA-N 1 0 376.928 4.049 20 0 GIADRO CCOCCC[N@@H+]1CC[C@@H](NCc2ncc(-c3ccc(Cl)cc3)o2)[C@H](C)C1 ZINC000187026177 822999972 /nfs/dbraw/zinc/99/99/72/822999972.db2.gz VWFNZMOSNCEBMG-VQIMIIECSA-N 1 0 391.943 4.222 20 0 GIADRO Cc1cccc(COc2cccc(C(=O)N3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)c2)c1 ZINC000570041251 823000031 /nfs/dbraw/zinc/00/00/31/823000031.db2.gz PSCMEQWEPXPBOE-FCHUYYIVSA-N 1 0 378.516 4.036 20 0 GIADRO C[C@H](CCNC(=O)NCc1coc(-c2ccccc2)n1)[N@H+](C)Cc1ccccc1 ZINC000175572202 823000137 /nfs/dbraw/zinc/00/01/37/823000137.db2.gz NLBOQIQJCQOKSC-GOSISDBHSA-N 1 0 392.503 4.051 20 0 GIADRO C[C@H]([NH2+]C1CC1)C(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000570042769 823000256 /nfs/dbraw/zinc/00/02/56/823000256.db2.gz NRFPIYVRZJSEHV-LBPRGKRZSA-N 1 0 391.393 4.037 20 0 GIADRO Cc1csc([C@@H](NC(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)C2CC2)n1 ZINC000175578526 823001292 /nfs/dbraw/zinc/00/12/92/823001292.db2.gz SKTRLYKMGCQTAT-LPHOPBHVSA-N 1 0 386.565 4.112 20 0 GIADRO O=C(N[C@@H]1CCc2ccc(-c3ccccc3)cc21)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000187034531 823001392 /nfs/dbraw/zinc/00/13/92/823001392.db2.gz KGXVXEFQEVALFI-DNQXCXABSA-N 1 0 390.527 4.101 20 0 GIADRO CCOc1ccc([C@@H](C)NC(=O)C[NH2+]C(C)(C)c2ccccc2C)cc1OC ZINC000570062526 823001912 /nfs/dbraw/zinc/00/19/12/823001912.db2.gz MPKNVSNZCPFGGA-QGZVFWFLSA-N 1 0 384.520 4.104 20 0 GIADRO COc1cccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCCO[C@@H](C(C)C)C2)c1 ZINC000570063118 823002079 /nfs/dbraw/zinc/00/20/79/823002079.db2.gz NVGHPLCYIHOFAO-YADHBBJMSA-N 1 0 382.504 4.122 20 0 GIADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)Nc1ccc(Oc2cccc(F)c2)cc1 ZINC000175584753 823002261 /nfs/dbraw/zinc/00/22/61/823002261.db2.gz JVIUVEGYWYROFM-OAQYLSRUSA-N 1 0 386.467 4.350 20 0 GIADRO CS(=O)(=O)C1(C[NH2+][C@H]2CCCc3nc(-c4ccccc4)sc32)CCCC1 ZINC000570067491 823002592 /nfs/dbraw/zinc/00/25/92/823002592.db2.gz UKCMECOCLAOVSQ-INIZCTEOSA-N 1 0 390.574 4.135 20 0 GIADRO COc1ccc([C@H]2CCN(C(=O)N[C@H](C[NH3+])c3ccc4ccccc4c3)C2)cc1 ZINC000570068218 823002826 /nfs/dbraw/zinc/00/28/26/823002826.db2.gz CLZZEBHBSKJCKG-JTHBVZDNSA-N 1 0 389.499 4.047 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)[C@@H]1CC[C@@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1 ZINC000570113463 823006951 /nfs/dbraw/zinc/00/69/51/823006951.db2.gz NRXVTSDMXQUJSI-BPLDGKMQSA-N 1 0 396.375 4.403 20 0 GIADRO C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCC(OCC2CCCC2)CC1 ZINC000175616847 823007330 /nfs/dbraw/zinc/00/73/30/823007330.db2.gz WBWGOVDPGKBHJR-UHFFFAOYSA-N 1 0 384.520 4.306 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)NCCSc2ccccc2)CC1 ZINC000175616912 823007335 /nfs/dbraw/zinc/00/73/35/823007335.db2.gz RAZODAFWFDLJSR-UHFFFAOYSA-N 1 0 383.561 4.085 20 0 GIADRO Cc1cc(Br)cc([C@H](C)[NH2+]Cc2ccc(-n3ccnc3)cc2)c1O ZINC000187080647 823007941 /nfs/dbraw/zinc/00/79/41/823007941.db2.gz AHMXQOHRKWZITN-AWEZNQCLSA-N 1 0 386.293 4.500 20 0 GIADRO CCc1cc(N2CCC([NH2+]CCCc3c(F)cccc3Cl)CC2)ncn1 ZINC000570128724 823008347 /nfs/dbraw/zinc/00/83/47/823008347.db2.gz KOSHOFQIWPCWPV-UHFFFAOYSA-N 1 0 376.907 4.023 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000187084996 823008556 /nfs/dbraw/zinc/00/85/56/823008556.db2.gz BHXMUSXWERAWDS-HSZRJFAPSA-N 1 0 396.531 4.307 20 0 GIADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1sc2ccccc2c1Br ZINC000570135208 823009080 /nfs/dbraw/zinc/00/90/80/823009080.db2.gz JYZZEISDLZCTQQ-OLZOCXBDSA-N 1 0 379.323 4.020 20 0 GIADRO COc1ccccc1[C@H](CC(C)C)NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000175627068 823009155 /nfs/dbraw/zinc/00/91/55/823009155.db2.gz WZHJYPNLSNXTQX-CTNGQTDRSA-N 1 0 387.568 4.442 20 0 GIADRO CCOc1ccccc1CN(C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000175629721 823009656 /nfs/dbraw/zinc/00/96/56/823009656.db2.gz ZPRICEQRDVSQLD-KNQAVFIVSA-N 1 0 395.547 4.280 20 0 GIADRO C[C@@H](c1nc(-c2cccs2)no1)N1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000570141540 823009933 /nfs/dbraw/zinc/00/99/33/823009933.db2.gz LSXQXDGJJHIIFU-HNNXBMFYSA-N 1 0 391.500 4.230 20 0 GIADRO Cc1nc([C@H]2CCCN2C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)cs1 ZINC000187097840 823010278 /nfs/dbraw/zinc/01/02/78/823010278.db2.gz PQCGXZOMBBHPBA-HNAYVOBHSA-N 1 0 386.565 4.427 20 0 GIADRO CC[NH+](CC)Cc1cccc(NS(=O)(=O)C2=Cc3ccccc3OCC2)c1 ZINC000187100344 823010410 /nfs/dbraw/zinc/01/04/10/823010410.db2.gz QRDPBLVAIPHTIO-UHFFFAOYSA-N 1 0 386.517 4.094 20 0 GIADRO COc1ccc([C@H](C)CCNC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)cc1 ZINC000175637526 823010809 /nfs/dbraw/zinc/01/08/09/823010809.db2.gz NWOBOFGEVZYKBS-GOSISDBHSA-N 1 0 399.535 4.088 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)N(Cc2cccs2)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000175638147 823010963 /nfs/dbraw/zinc/01/09/63/823010963.db2.gz DIHHDAKWVNFOJU-IEBWSBKVSA-N 1 0 383.561 4.475 20 0 GIADRO Cc1ccccc1[C@H](OC[C@H](O)C[NH2+][C@H]1CCOC2(CCC2)C1)c1ccccc1 ZINC000570155647 823011010 /nfs/dbraw/zinc/01/10/10/823011010.db2.gz ONYUIAJVJWJDDI-WMTXJRDZSA-N 1 0 395.543 4.153 20 0 GIADRO COc1cc(C(=O)NC(C)(C)CCC[NH3+])ccc1OCc1ccc(Cl)cc1 ZINC000570154648 823011145 /nfs/dbraw/zinc/01/11/45/823011145.db2.gz DYFCVZFVDMPRPY-UHFFFAOYSA-N 1 0 390.911 4.175 20 0 GIADRO CCN(CC)[C@H](C(=O)Nc1ccc2c(c1)C[NH2+]C2)c1cccc(C(F)(F)F)c1 ZINC000570161592 823011313 /nfs/dbraw/zinc/01/13/13/823011313.db2.gz RSEVWNJIHXJEAM-IBGZPJMESA-N 1 0 391.437 4.330 20 0 GIADRO Cc1[nH+]c2ccccc2c(N[C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)c1C ZINC000570185774 823013365 /nfs/dbraw/zinc/01/33/65/823013365.db2.gz MEOGJZQFEAYMHH-OAHLLOKOSA-N 1 0 379.426 4.019 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc2c(c1)OC(C)(C)O2 ZINC000175654108 823013445 /nfs/dbraw/zinc/01/34/45/823013445.db2.gz MKQCUVMWICMTMW-GOSISDBHSA-N 1 0 395.503 4.180 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH2+]Cc1ccc(Cn2ccnc2)cc1 ZINC000187119135 823013485 /nfs/dbraw/zinc/01/34/85/823013485.db2.gz AREGUQCFIQWFFD-UHFFFAOYSA-N 1 0 384.483 4.292 20 0 GIADRO O=C(NCCc1csc(-c2ccccc2)n1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000175656585 823014010 /nfs/dbraw/zinc/01/40/10/823014010.db2.gz KMXSSXQCRSSNNR-HXUWFJFHSA-N 1 0 398.576 4.013 20 0 GIADRO C[NH+](C)CCN(Cc1cccs1)C(=O)C[C@@H](c1ccccc1)C(F)(F)F ZINC000175659103 823014574 /nfs/dbraw/zinc/01/45/74/823014574.db2.gz RZTYIOVQUYLGFX-KRWDZBQOSA-N 1 0 384.467 4.375 20 0 GIADRO C[C@]12CC3CC(C(=O)NC4CC[NH+](Cc5cccnc5)CC4)(C1)C[C@@](C)(C3)C2 ZINC000175673111 823017445 /nfs/dbraw/zinc/01/74/45/823017445.db2.gz GOWXOJWOBSDLKN-ZPKAHVHTSA-N 1 0 381.564 4.159 20 0 GIADRO Cn1cnc2cc(-c3noc([C@@]45CCC[C@@H]4C[N@H+](Cc4ccccc4)C5)n3)ccc21 ZINC000570245389 823018428 /nfs/dbraw/zinc/01/84/28/823018428.db2.gz XJZGYCMBKPFOPA-NTKDMRAZSA-N 1 0 399.498 4.177 20 0 GIADRO CC(=O)Nc1ccc(CC[NH2+][C@H](C)c2cc(Br)cc(C)c2O)cc1 ZINC000187155977 823018598 /nfs/dbraw/zinc/01/85/98/823018598.db2.gz YPOGWJCAFNZLRY-CYBMUJFWSA-N 1 0 391.309 4.315 20 0 GIADRO C[C@@H](NC(=O)CSc1ccc(C(F)(F)F)cn1)[C@H](c1ccccc1)[NH+](C)C ZINC000187167933 823020088 /nfs/dbraw/zinc/02/00/88/823020088.db2.gz JUKKYFNZIWDRSJ-FZKQIMNGSA-N 1 0 397.466 4.000 20 0 GIADRO COc1c(Br)cccc1C[NH2+][C@H](c1ccccc1)[C@@H]1CCCO1 ZINC000187170149 823020292 /nfs/dbraw/zinc/02/02/92/823020292.db2.gz GIIFMRWFYCDWJO-ZWKOTPCHSA-N 1 0 376.294 4.468 20 0 GIADRO C[C@H](NC(=O)Nc1cccc2c1CC[NH2+]C2)c1ccc(OCC(F)(F)F)cc1 ZINC000570263232 823020786 /nfs/dbraw/zinc/02/07/86/823020786.db2.gz SYFMVPQCTIRXPS-ZDUSSCGKSA-N 1 0 393.409 4.156 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)Nc2cccc(COCCc3ccccc3)c2)CC[N@@H+]1C ZINC000175690072 823021025 /nfs/dbraw/zinc/02/10/25/823021025.db2.gz QNPAPYSPYONXQR-CVDCTZTESA-N 1 0 395.547 4.392 20 0 GIADRO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2cccc(COCCc3ccccc3)c2)C1 ZINC000175690567 823021218 /nfs/dbraw/zinc/02/12/18/823021218.db2.gz PBPNEAJEBGFJMF-QHCPKHFHSA-N 1 0 395.547 4.394 20 0 GIADRO O=C(C[NH2+]C1(Cc2ccccc2)CCOCC1)Nc1ccc(Cl)c(Cl)c1 ZINC000570280235 823022030 /nfs/dbraw/zinc/02/20/30/823022030.db2.gz QVJDXEJVBPLNQO-UHFFFAOYSA-N 1 0 393.314 4.313 20 0 GIADRO Cn1ccnc1[C@@H]1C[C@H]([NH2+][C@@H](Cc2cccnc2)c2cccc(Cl)c2)CCO1 ZINC000570283646 823022270 /nfs/dbraw/zinc/02/22/70/823022270.db2.gz BDXWXXGZVRDCKX-HKBOAZHASA-N 1 0 396.922 4.262 20 0 GIADRO CC[NH+]1CCC(n2nccc2NCc2cc(-c3ccncc3)ccc2OC)CC1 ZINC000187190303 823022812 /nfs/dbraw/zinc/02/28/12/823022812.db2.gz XZMAMICCRLZDKC-UHFFFAOYSA-N 1 0 391.519 4.223 20 0 GIADRO Cc1ccc(C(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)c(Br)c1 ZINC000187190136 823022869 /nfs/dbraw/zinc/02/28/69/823022869.db2.gz PWEDFRYJMFTQFF-KBXCAEBGSA-N 1 0 375.310 4.179 20 0 GIADRO Cn1cc(-c2ccc3c(c2)N(CC2C[NH+](Cc4ccsc4)C2)CC3(C)C)cn1 ZINC000570291482 823022927 /nfs/dbraw/zinc/02/29/27/823022927.db2.gz BZGOTNYZOMXSQC-UHFFFAOYSA-N 1 0 392.572 4.378 20 0 GIADRO CSCc1cnc(C[NH2+][C@H]2CCCN(Cc3c(F)cccc3F)C2)s1 ZINC000570298033 823023532 /nfs/dbraw/zinc/02/35/32/823023532.db2.gz QGFWBLHJLJQDSF-ZDUSSCGKSA-N 1 0 383.533 4.039 20 0 GIADRO COc1ccc(C(=O)Nc2cccc(C[N@@H+]3CCCO[C@H](C(C)C)C3)c2)cc1 ZINC000570302403 823023806 /nfs/dbraw/zinc/02/38/06/823023806.db2.gz YAHRCLJQGQXTTM-QFIPXVFZSA-N 1 0 382.504 4.194 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)CC1 ZINC000175704049 823023835 /nfs/dbraw/zinc/02/38/35/823023835.db2.gz KGOXZVWOADIJBS-FPOVZHCZSA-N 1 0 384.470 4.191 20 0 GIADRO CC(C)n1ncc2c1nc(-c1cccs1)cc2C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000570330863 823026444 /nfs/dbraw/zinc/02/64/44/823026444.db2.gz PEEPUFAEGKTDIS-OAHLLOKOSA-N 1 0 397.548 4.003 20 0 GIADRO CCC[N@H+](CC)CCNC(=O)Nc1cc(NC(=O)c2ccccc2)ccc1C ZINC000175725234 823027372 /nfs/dbraw/zinc/02/73/72/823027372.db2.gz CKXQPDQXPGSXTE-UHFFFAOYSA-N 1 0 382.508 4.101 20 0 GIADRO Cc1cccc2c1N(C1CC1)CCN2C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000570346638 823027440 /nfs/dbraw/zinc/02/74/40/823027440.db2.gz ODQXAXRAGCKRRW-UHFFFAOYSA-N 1 0 375.516 4.220 20 0 GIADRO Cc1nc(CCC(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)oc1-c1ccccc1 ZINC000187229568 823027956 /nfs/dbraw/zinc/02/79/56/823027956.db2.gz TWZTUSOIWPMGQC-HXOBKFHXSA-N 1 0 391.515 4.390 20 0 GIADRO COc1ccc(C2(NC(=O)NC3CC[NH+](C4CCCC4)CC3)CCCC2)cc1 ZINC000175729405 823028081 /nfs/dbraw/zinc/02/80/81/823028081.db2.gz OYJMBNORKWOUNH-UHFFFAOYSA-N 1 0 385.552 4.171 20 0 GIADRO CC[C@H](C)[NH2+][C@H](CNC(=O)Nc1cccc(-c2nccc(C)n2)c1)c1ccco1 ZINC000570354582 823028448 /nfs/dbraw/zinc/02/84/48/823028448.db2.gz UWAVJIRBAHGUAN-HNAYVOBHSA-N 1 0 393.491 4.296 20 0 GIADRO C[C@H](NC(=O)Cc1csc(-c2cccc(F)c2)n1)[C@@H](c1ccccc1)[NH+](C)C ZINC000187239231 823028980 /nfs/dbraw/zinc/02/89/80/823028980.db2.gz FVNUIUGNMAGEKV-BTYIYWSLSA-N 1 0 397.519 4.299 20 0 GIADRO CC1CCC(Oc2cc(C[NH2+]Cc3ccc4c(c3)CCC(=O)N4C)ccn2)CC1 ZINC000187240064 823029150 /nfs/dbraw/zinc/02/91/50/823029150.db2.gz SAGCXKBCLYCWMI-UHFFFAOYSA-N 1 0 393.531 4.238 20 0 GIADRO Cc1ccc(-c2noc([C@@H](C)[N@@H+]3CCCN4c5ccccc5C[C@@H]4C3)n2)cc1F ZINC000570367452 823029797 /nfs/dbraw/zinc/02/97/97/823029797.db2.gz SKCHPDKZRHPSGW-VQIMIIECSA-N 1 0 392.478 4.382 20 0 GIADRO CCO[C@H]1C[C@@]([NH3+])(C(=O)Nc2nc(-c3ccc(SC)cc3)cs2)C1(C)C ZINC000187248716 823030159 /nfs/dbraw/zinc/03/01/59/823030159.db2.gz DTIJLXCGWUGUTC-HNAYVOBHSA-N 1 0 391.562 4.003 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH2+]CCCc1nc2ccccc2n1C ZINC000187252477 823030860 /nfs/dbraw/zinc/03/08/60/823030860.db2.gz LJARKVDSCQMRAG-UHFFFAOYSA-N 1 0 386.499 4.366 20 0 GIADRO COc1cccc(O[C@@H](C)C[NH2+][C@H](C)c2ncc(Br)cc2F)c1 ZINC000187257515 823031729 /nfs/dbraw/zinc/03/17/29/823031729.db2.gz ZXXCLBUTMBSSIV-NWDGAFQWSA-N 1 0 383.261 4.110 20 0 GIADRO Cc1cccnc1[C@@H]([NH2+]C[C@H](O)c1ccc(F)c(Br)c1)C(C)C ZINC000187258862 823031926 /nfs/dbraw/zinc/03/19/26/823031926.db2.gz FYASWLCAIAHFKF-IRXDYDNUSA-N 1 0 381.289 4.312 20 0 GIADRO C[C@@H](NC(=O)c1cccc(-c2noc(C3CC3)n2)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000187258585 823031933 /nfs/dbraw/zinc/03/19/33/823031933.db2.gz JHRLQRJALQAORV-QRWLVFNGSA-N 1 0 390.487 4.035 20 0 GIADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)c2ccc(COc3ccc4ccccc4c3)o2)C1 ZINC000570390587 823032564 /nfs/dbraw/zinc/03/25/64/823032564.db2.gz FEGQRUDBNJMJGZ-VQIMIIECSA-N 1 0 378.472 4.259 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)N(C)c2cccc(Br)n2)cc1)C(C)C ZINC000187262451 823032630 /nfs/dbraw/zinc/03/26/30/823032630.db2.gz HNASSRIBISYVRG-UHFFFAOYSA-N 1 0 390.325 4.351 20 0 GIADRO C[C@H](NC(=O)c1cc(F)ccc1Br)[C@@H](c1ccccc1)[NH+](C)C ZINC000187266960 823033369 /nfs/dbraw/zinc/03/33/69/823033369.db2.gz KCMFZHMQTQMMIX-SJCJKPOMSA-N 1 0 379.273 4.009 20 0 GIADRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)c3cnccc3C(F)(F)F)cc2)C1 ZINC000570408657 823034120 /nfs/dbraw/zinc/03/41/20/823034120.db2.gz GSNJEZFGAFJXKA-AWEZNQCLSA-N 1 0 393.409 4.073 20 0 GIADRO O=C(NCCC[NH+]1CCCC1)c1ccc(-c2ccccc2OC(F)(F)F)o1 ZINC000187271062 823034224 /nfs/dbraw/zinc/03/42/24/823034224.db2.gz ZGFDMDRGRHJDRG-UHFFFAOYSA-N 1 0 382.382 4.061 20 0 GIADRO COc1cc(-c2noc([C@H]3CC[N@H+](Cc4ccccc4)C3)n2)cc(Cl)c1OC ZINC000570409902 823034441 /nfs/dbraw/zinc/03/44/41/823034441.db2.gz LAWFHLPKISTYHN-HNNXBMFYSA-N 1 0 399.878 4.397 20 0 GIADRO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000458387610 823035520 /nfs/dbraw/zinc/03/55/20/823035520.db2.gz XPMODGFGXALSEL-KLARFABHSA-N 1 0 379.548 4.012 20 0 GIADRO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2cccc(COc3ccccc3)c2C)C1 ZINC000175769076 823035614 /nfs/dbraw/zinc/03/56/14/823035614.db2.gz SEYZAPUGSKEOCN-IBGZPJMESA-N 1 0 381.520 4.427 20 0 GIADRO COc1ccc([C@H](C)N(C)C(=O)NCC2CC[NH+](CCC(C)C)CC2)cc1 ZINC000175770078 823036030 /nfs/dbraw/zinc/03/60/30/823036030.db2.gz FCYUYQDBRVEQDD-SFHVURJKSA-N 1 0 375.557 4.156 20 0 GIADRO CC[NH2+]Cc1ccccc1NC(=O)N[C@@H]1c2ccccc2CC12CCOCC2 ZINC000570424820 823036302 /nfs/dbraw/zinc/03/63/02/823036302.db2.gz BVPGNTNNRJSMFB-OAQYLSRUSA-N 1 0 379.504 4.012 20 0 GIADRO CN(C(=O)N[C@@H](Cc1ccccc1)C1CC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458404035 823037065 /nfs/dbraw/zinc/03/70/65/823037065.db2.gz AYBJYLJNYJETQV-IBGZPJMESA-N 1 0 397.485 4.066 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)c1ccc2cc[nH]c2c1)[NH+]1CCCCC1 ZINC000055752531 823037173 /nfs/dbraw/zinc/03/71/73/823037173.db2.gz QJJGQUPIESGSJZ-NRFANRHFSA-N 1 0 377.488 4.134 20 0 GIADRO CC[NH+]1C[C@@H](C)N(C(=O)c2cc(-c3ccco3)nc3onc(C(C)C)c32)[C@H](C)C1 ZINC000570430563 823037235 /nfs/dbraw/zinc/03/72/35/823037235.db2.gz GLHVMXLEGLGDJF-HUUCEWRRSA-N 1 0 396.491 4.161 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)N2CC(C)(CC(F)(F)F)C2)[C@@H]1c1cccs1 ZINC000458414738 823037990 /nfs/dbraw/zinc/03/79/90/823037990.db2.gz CXUWXZVEZRGGQA-DZGCQCFKSA-N 1 0 389.487 4.115 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)N2CC(C)(CC(F)(F)F)C2)[C@H]1c1cccs1 ZINC000458414742 823038008 /nfs/dbraw/zinc/03/80/08/823038008.db2.gz CXUWXZVEZRGGQA-HIFRSBDPSA-N 1 0 389.487 4.115 20 0 GIADRO COc1ccc([C@@H]([NH2+]CCC(C)(C)C)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000187295578 823038455 /nfs/dbraw/zinc/03/84/55/823038455.db2.gz YHKUNLDFNQXQJG-HXUWFJFHSA-N 1 0 375.534 4.214 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)CC[N@@H+]1C ZINC000187299619 823039424 /nfs/dbraw/zinc/03/94/24/823039424.db2.gz IOIMLIILQAQJEZ-UONOGXRCSA-N 1 0 396.409 4.400 20 0 GIADRO Cc1cc(Oc2ncccn2)ccc1NC(=O)NCCC[NH+](C(C)C)C(C)C ZINC000175783259 823039380 /nfs/dbraw/zinc/03/93/80/823039380.db2.gz XZUKEAXDCXVOKC-UHFFFAOYSA-N 1 0 385.512 4.208 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc2nc(Cl)ccc2c1 ZINC000175785221 823039818 /nfs/dbraw/zinc/03/98/18/823039818.db2.gz ZTTUAAGVOORWQM-GOSISDBHSA-N 1 0 393.918 4.482 20 0 GIADRO CC(C)Cc1ccc(C(=O)C2CCN(C(=O)C[C@H]3CCCC[C@@H]3[NH3+])CC2)cc1 ZINC000570447416 823039946 /nfs/dbraw/zinc/03/99/46/823039946.db2.gz SIRJLSOITLZJKL-YADHBBJMSA-N 1 0 384.564 4.214 20 0 GIADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1cccc2ccc(C)nc21 ZINC000175789631 823040603 /nfs/dbraw/zinc/04/06/03/823040603.db2.gz ADTWVCNBFMISCF-UHFFFAOYSA-N 1 0 381.442 4.280 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)NC2CCC(C(F)F)CC2)[C@H]1c1cccs1 ZINC000458442170 823040723 /nfs/dbraw/zinc/04/07/23/823040723.db2.gz WAVSYKKLZBKYBB-INTUILBWSA-N 1 0 385.524 4.254 20 0 GIADRO Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)NCCC[NH+](C(C)C)C(C)C ZINC000175792229 823041266 /nfs/dbraw/zinc/04/12/66/823041266.db2.gz QNPCHOFOUMKGJP-UHFFFAOYSA-N 1 0 390.572 4.011 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N[C@H]1CCc2cc(N)ccc21 ZINC000570464728 823041526 /nfs/dbraw/zinc/04/15/26/823041526.db2.gz XUEWOLSTUCBNRJ-HXOBKFHXSA-N 1 0 392.547 4.130 20 0 GIADRO CCc1ncsc1NC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000570468738 823041872 /nfs/dbraw/zinc/04/18/72/823041872.db2.gz ZNZNGRNBDVLITM-LRDDRELGSA-N 1 0 396.919 4.313 20 0 GIADRO Cc1ccc(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1NC(=O)Nc1ccccc1 ZINC000175796130 823042164 /nfs/dbraw/zinc/04/21/64/823042164.db2.gz QADTYCKZONKMFA-QGZVFWFLSA-N 1 0 396.535 4.345 20 0 GIADRO CC[C@H](NC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)c1ccncc1 ZINC000187320588 823042993 /nfs/dbraw/zinc/04/29/93/823042993.db2.gz QIOKXFNNYFYBFT-ZWKOTPCHSA-N 1 0 394.441 4.154 20 0 GIADRO COc1cc(C[NH2+]CCC2C[C@H](C)O[C@@H](C)C2)cc(OC)c1OCC(F)F ZINC000570480078 823043729 /nfs/dbraw/zinc/04/37/29/823043729.db2.gz OXJBENKXBISFAC-KBPBESRZSA-N 1 0 387.467 4.031 20 0 GIADRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1cc2c(cccc2OC(F)F)[nH]1 ZINC000175804733 823044410 /nfs/dbraw/zinc/04/44/10/823044410.db2.gz HNDKLMTZMNPOAU-UHFFFAOYSA-N 1 0 393.459 4.035 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2c(F)c(F)cc(F)c2F)[C@@H]1c1cccs1 ZINC000177889275 823541848 /nfs/dbraw/zinc/54/18/48/823541848.db2.gz GUNVJFABCSBWQJ-DYZYQPBXSA-N 1 0 386.414 4.117 20 0 GIADRO C[C@H](C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)c1cccs1 ZINC000123814253 823542709 /nfs/dbraw/zinc/54/27/09/823542709.db2.gz GTGISWSNGLYYHN-XAYKYTGQSA-N 1 0 380.916 4.453 20 0 GIADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000060567955 823543126 /nfs/dbraw/zinc/54/31/26/823543126.db2.gz ZNSNKVNZHFHEFC-KBPBESRZSA-N 1 0 380.332 4.081 20 0 GIADRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(S(=O)(=O)N3CCCC3)cc2)c2ccccc21 ZINC000177896565 823543418 /nfs/dbraw/zinc/54/34/18/823543418.db2.gz YIOWVGBPLUCATQ-VGOFRKELSA-N 1 0 384.545 4.199 20 0 GIADRO CC(C)c1ccc(C[C@H]2CCN(C(=O)NC3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC000460926387 823543735 /nfs/dbraw/zinc/54/37/35/823543735.db2.gz KIQDRVYJHWUNSY-OAQYLSRUSA-N 1 0 383.580 4.258 20 0 GIADRO COc1ccc(C(C)(C)CNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000060577100 823544156 /nfs/dbraw/zinc/54/41/56/823544156.db2.gz MRIDUXSNFRDMEA-FQEVSTJZSA-N 1 0 399.535 4.092 20 0 GIADRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc2ccccc2cc1NC(=O)C1CC1 ZINC000123839301 823544588 /nfs/dbraw/zinc/54/45/88/823544588.db2.gz KYLDMXGGOFRPMB-KRWDZBQOSA-N 1 0 395.547 4.429 20 0 GIADRO CC[NH2+]Cc1cccc(NC(=O)Cc2csc(-c3ccc(OCC)cc3)n2)c1 ZINC000123842907 823544796 /nfs/dbraw/zinc/54/47/96/823544796.db2.gz XUQOIPKYKPOLRG-UHFFFAOYSA-N 1 0 395.528 4.500 20 0 GIADRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc(Cl)ccc1Br ZINC000123846711 823545121 /nfs/dbraw/zinc/54/51/21/823545121.db2.gz BAIRHDNSMIGCTI-LBPRGKRZSA-N 1 0 375.738 4.343 20 0 GIADRO O=C(c1noc2c1CCCC2)N(CCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000411102010 823546183 /nfs/dbraw/zinc/54/61/83/823546183.db2.gz MXDLXSMWBZXHSU-UHFFFAOYSA-N 1 0 387.911 4.340 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCN(C(=O)C3CCCCC3)C2)cc1 ZINC000123855112 823546320 /nfs/dbraw/zinc/54/63/20/823546320.db2.gz NZRUBRNBMJVPAQ-UTKZUKDTSA-N 1 0 380.536 4.013 20 0 GIADRO c1ccc(-c2ccccc2OCC[NH2+]C2CCN(Cc3ccccn3)CC2)cc1 ZINC000177933068 823547851 /nfs/dbraw/zinc/54/78/51/823547851.db2.gz GVSPCLYVGFFABV-UHFFFAOYSA-N 1 0 387.527 4.382 20 0 GIADRO C[C@H]1C[C@H](CCNC(=O)N2CCCc3occc3C2)C[N@@H+]1Cc1ccccc1 ZINC000460948487 823548698 /nfs/dbraw/zinc/54/86/98/823548698.db2.gz WSIXUBVZSMPDID-ICSRJNTNSA-N 1 0 381.520 4.038 20 0 GIADRO Cc1ccccc1NCCC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000060634874 823549575 /nfs/dbraw/zinc/54/95/75/823549575.db2.gz SHPCGRWGENJAKU-HXUWFJFHSA-N 1 0 385.577 4.448 20 0 GIADRO Cc1cccc(CNC(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)n1 ZINC000123897306 823549917 /nfs/dbraw/zinc/54/99/17/823549917.db2.gz PJQZWNMCFXUZDF-UHFFFAOYSA-N 1 0 388.515 4.118 20 0 GIADRO C[N@@H+]1CC[C@H](CNC(=O)c2cc(F)cc(F)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123898626 823549950 /nfs/dbraw/zinc/54/99/50/823549950.db2.gz HPZMMNYDHCWHPJ-XIKOKIGWSA-N 1 0 382.813 4.180 20 0 GIADRO Cc1ccc(CC(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)s1 ZINC000123906494 823550650 /nfs/dbraw/zinc/55/06/50/823550650.db2.gz AFLIOWYBXOSJHN-AUUYWEPGSA-N 1 0 380.916 4.201 20 0 GIADRO CC(=O)N1CCC[N@H+](Cc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)CC1 ZINC000411133045 823550614 /nfs/dbraw/zinc/55/06/14/823550614.db2.gz ZJCOEYGSJUQZBB-UHFFFAOYSA-N 1 0 397.466 4.192 20 0 GIADRO CC(=O)Nc1cc(C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)ccc1C ZINC000060673545 823551900 /nfs/dbraw/zinc/55/19/00/823551900.db2.gz OSGTVWVBZPEYGR-UHFFFAOYSA-N 1 0 393.531 4.115 20 0 GIADRO CC(C)CC(=O)Nc1ccc(C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)cc1F ZINC000460965260 823552136 /nfs/dbraw/zinc/55/21/36/823552136.db2.gz YLAAOOJVIHLSPR-ZHRRBRCNSA-N 1 0 391.531 4.051 20 0 GIADRO C[C@H](Oc1ccccc1)C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123928330 823552400 /nfs/dbraw/zinc/55/24/00/823552400.db2.gz QTDCLLGBXMPBFB-DKICVRJWSA-N 1 0 390.886 4.056 20 0 GIADRO CCOc1cc(C[N@@H+]2CCC[C@@](CC)(CO)C2)ccc1OCC(F)(F)F ZINC000190227551 823552880 /nfs/dbraw/zinc/55/28/80/823552880.db2.gz LFEPTPCHVBKAOP-GOSISDBHSA-N 1 0 375.431 4.011 20 0 GIADRO O=C(C[C@@H](c1ccc(O)cc1)C1CC1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000411162813 823553173 /nfs/dbraw/zinc/55/31/73/823553173.db2.gz YDPTZHXMEGPWJR-WOJBJXKFSA-N 1 0 384.545 4.291 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C(=O)C3CCCCC3)C2)cc1OCC ZINC000123945804 823553978 /nfs/dbraw/zinc/55/39/78/823553978.db2.gz GLZTVPLVEWAWKO-YLJYHZDGSA-N 1 0 388.552 4.316 20 0 GIADRO CC[N@H+](C)Cc1cccc(CN[C@@H](C)c2nnn(-c3ccc(F)cc3)c2C)c1 ZINC000123951181 823554476 /nfs/dbraw/zinc/55/44/76/823554476.db2.gz PGLMUMQFWAABOL-INIZCTEOSA-N 1 0 381.499 4.017 20 0 GIADRO O=C(NC1CC[NH+](CC2CC2)CC1)C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000460980538 823555049 /nfs/dbraw/zinc/55/50/49/823555049.db2.gz MVSRODFNAYLABU-UHFFFAOYSA-N 1 0 380.454 4.118 20 0 GIADRO FC(F)(F)Oc1ccccc1C[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000123958843 823555406 /nfs/dbraw/zinc/55/54/06/823555406.db2.gz IFMIADVICNZFPN-UHFFFAOYSA-N 1 0 379.407 4.436 20 0 GIADRO CSc1ccc(OC[C@H](O)C[NH+]2CCC(C(=O)c3ccc(C)cc3)CC2)cc1 ZINC000411186357 823555431 /nfs/dbraw/zinc/55/54/31/823555431.db2.gz NTKVRYMOWDQUHF-HXUWFJFHSA-N 1 0 399.556 4.052 20 0 GIADRO CC(C)Oc1ccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c(C(F)(F)F)c1 ZINC000123965588 823556125 /nfs/dbraw/zinc/55/61/25/823556125.db2.gz RTOLOYPCFWIVRB-KSSFIOAISA-N 1 0 399.457 4.441 20 0 GIADRO COc1ccc(C(C)(C)C[NH2+][C@H](C)C(=O)Nc2ccccc2OC(F)F)cc1 ZINC000123971533 823556624 /nfs/dbraw/zinc/55/66/24/823556624.db2.gz HWMREYJICRFYSG-CQSZACIVSA-N 1 0 392.446 4.191 20 0 GIADRO CCCOc1ccc(C[NH2+]CCc2nc(-c3ccccn3)cs2)cc1OC ZINC000123970525 823556753 /nfs/dbraw/zinc/55/67/53/823556753.db2.gz AGJBPYWYUDKCAP-UHFFFAOYSA-N 1 0 383.517 4.335 20 0 GIADRO C[NH+](C)CCOC1CCN(C(=O)c2ccccc2Sc2ccccc2)CC1 ZINC000460995620 823556731 /nfs/dbraw/zinc/55/67/31/823556731.db2.gz XQUOGBYKNVXUOM-UHFFFAOYSA-N 1 0 384.545 4.021 20 0 GIADRO Fc1ccc(Br)cc1C[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000123975564 823557166 /nfs/dbraw/zinc/55/71/66/823557166.db2.gz YJRMLKIJLLIDSP-UHFFFAOYSA-N 1 0 392.297 4.439 20 0 GIADRO c1sc(CC[NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)nc1-c1ccccn1 ZINC000123978563 823557341 /nfs/dbraw/zinc/55/73/41/823557341.db2.gz CSAAOHGVTQRJLO-LJQANCHMSA-N 1 0 395.528 4.095 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000411211629 823557618 /nfs/dbraw/zinc/55/76/18/823557618.db2.gz SRRSKCFNUKHSFH-HXUWFJFHSA-N 1 0 393.531 4.030 20 0 GIADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2cccc3ccccc32)c1 ZINC000060789453 823557662 /nfs/dbraw/zinc/55/76/62/823557662.db2.gz WPYBVDQCBPPOMD-UHFFFAOYSA-N 1 0 389.499 4.164 20 0 GIADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2cc(SC)ccc2C)c1 ZINC000060790082 823557742 /nfs/dbraw/zinc/55/77/42/823557742.db2.gz KLRRMXGRFKEFGZ-UHFFFAOYSA-N 1 0 399.560 4.041 20 0 GIADRO C[N@H+](CCC(=O)N[C@H](c1cccs1)c1ccccc1)[C@@H](CO)c1ccccc1 ZINC000411217613 823557958 /nfs/dbraw/zinc/55/79/58/823557958.db2.gz ANXHFEBRAAOGKR-REWPJTCUSA-N 1 0 394.540 4.009 20 0 GIADRO CC[NH+]1CCC(NC(=O)c2ccc(COc3ccc4ccccc4c3)o2)CC1 ZINC000060793460 823558033 /nfs/dbraw/zinc/55/80/33/823558033.db2.gz PSWDGNAAKBUCEP-UHFFFAOYSA-N 1 0 378.472 4.226 20 0 GIADRO OCCn1nccc1C1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000411221678 823558266 /nfs/dbraw/zinc/55/82/66/823558266.db2.gz FXFYTMRFHHEKNQ-QHCPKHFHSA-N 1 0 395.934 4.498 20 0 GIADRO COc1ccc(C(C)(C)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)cc1OC ZINC000123997098 823558606 /nfs/dbraw/zinc/55/86/06/823558606.db2.gz BUIWDOBPUMMJFQ-UHFFFAOYSA-N 1 0 396.531 4.258 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[NH2+]C(C)(C)c1ccccc1 ZINC000411225080 823558654 /nfs/dbraw/zinc/55/86/54/823558654.db2.gz GIPLOJOAXKTZCA-UHFFFAOYSA-N 1 0 376.504 4.343 20 0 GIADRO CC[C@H](C(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccc(F)cc1 ZINC000461011464 823558782 /nfs/dbraw/zinc/55/87/82/823558782.db2.gz FSAWJWNFOXHTIX-SVMVAKDDSA-N 1 0 390.543 4.057 20 0 GIADRO CC[N@H+](Cc1ccnc(N)c1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000411234603 823559404 /nfs/dbraw/zinc/55/94/04/823559404.db2.gz FRGRQHJOAYQLIY-OAHLLOKOSA-N 1 0 378.339 4.316 20 0 GIADRO F[C@@H](C(F)(F)F)C(F)(F)Oc1ccc(C[NH2+]CCc2ccccn2)cc1 ZINC000060815736 823559497 /nfs/dbraw/zinc/55/94/97/823559497.db2.gz RMAKCMPHBIULRH-HNNXBMFYSA-N 1 0 378.316 4.286 20 0 GIADRO Cc1ccc(C[NH2+]Cc2cnc(C(C)(C)C)s2)c(-n2cc(Cl)cn2)n1 ZINC000190301161 823560561 /nfs/dbraw/zinc/56/05/61/823560561.db2.gz ACFOYQCCCLVLGN-UHFFFAOYSA-N 1 0 375.929 4.273 20 0 GIADRO Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccc(C)nc2-n2cc(Cl)cn2)cc1 ZINC000190304052 823560902 /nfs/dbraw/zinc/56/09/02/823560902.db2.gz XSKDPXKWULSUJM-UHFFFAOYSA-N 1 0 392.894 4.217 20 0 GIADRO CCc1ccc([C@@H](C[NH2+]Cc2ccc(OC)c(OC(F)F)c2)N(C)C)cc1 ZINC000060831897 823561004 /nfs/dbraw/zinc/56/10/04/823561004.db2.gz HDYYURIJAUFFBR-GOSISDBHSA-N 1 0 378.463 4.252 20 0 GIADRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1ccc(Br)s1 ZINC000060848013 823561906 /nfs/dbraw/zinc/56/19/06/823561906.db2.gz JVEWQZRFLSUNMQ-DZGCQCFKSA-N 1 0 391.334 4.267 20 0 GIADRO Cc1cccc(-c2nnc(-c3ccc(C(=O)N[C@H](C)C[N@H+](C)C(C)C)cc3)o2)c1 ZINC000461031083 823562323 /nfs/dbraw/zinc/56/23/23/823562323.db2.gz ZRFWJOOQXCYZFI-QGZVFWFLSA-N 1 0 392.503 4.171 20 0 GIADRO Fc1cccc(CC[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)c1 ZINC000060856739 823562710 /nfs/dbraw/zinc/56/27/10/823562710.db2.gz GBSUVEMRNIBHNY-UHFFFAOYSA-N 1 0 380.257 4.082 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)C2CC[NH+](C/C(C)=C/c3ccccc3)CC2)c1 ZINC000124056151 823563774 /nfs/dbraw/zinc/56/37/74/823563774.db2.gz FTPHHEOWULILHE-OBGWFSINSA-N 1 0 391.515 4.399 20 0 GIADRO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C[N@@H+]1CCC[C@H](CC(N)=O)C1 ZINC000411310125 823563784 /nfs/dbraw/zinc/56/37/84/823563784.db2.gz TZRHPOSEBOYEKQ-CYBMUJFWSA-N 1 0 397.466 4.225 20 0 GIADRO O=C(c1cccc(C[NH+]2CCCCC2)c1)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000411315776 823563969 /nfs/dbraw/zinc/56/39/69/823563969.db2.gz JRPNJVWBUPLKJG-QFIPXVFZSA-N 1 0 382.479 4.025 20 0 GIADRO CO[C@@H](C)c1nc(CN2CCC[N@@H+]([C@@H]3C[C@H]3c3cccc(F)c3)CC2)cs1 ZINC000411330238 823564831 /nfs/dbraw/zinc/56/48/31/823564831.db2.gz KSBLHLSNYGKRCZ-RYGJVYDSSA-N 1 0 389.540 4.053 20 0 GIADRO O=C(CC[N@@H+](CCC(F)(F)F)CC1CC1)Nc1ccccc1Br ZINC000411338286 823565234 /nfs/dbraw/zinc/56/52/34/823565234.db2.gz VJMUFQHYWBQFAC-UHFFFAOYSA-N 1 0 393.247 4.442 20 0 GIADRO O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000411341513 823565343 /nfs/dbraw/zinc/56/53/43/823565343.db2.gz UMOSDIBLKOZFSX-IBGZPJMESA-N 1 0 378.969 4.049 20 0 GIADRO CC(C)n1ncc2c1nc(-c1ccccc1)cc2C(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000461048221 823565404 /nfs/dbraw/zinc/56/54/04/823565404.db2.gz UTJBFKMRNZXXCL-QGZVFWFLSA-N 1 0 393.535 4.138 20 0 GIADRO COc1ccc(CNC(=O)NCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000060909849 823565857 /nfs/dbraw/zinc/56/58/57/823565857.db2.gz NCIIQROLOXLODQ-OALUTQOASA-N 1 0 395.547 4.173 20 0 GIADRO O=C(COc1ccccc1C[N@H+]1CCC[C@H]1c1ccc(F)cc1)N1CCCC1 ZINC000124085988 823566284 /nfs/dbraw/zinc/56/62/84/823566284.db2.gz VFEGZPPXIUROAK-NRFANRHFSA-N 1 0 382.479 4.164 20 0 GIADRO COc1ccc(NC(=O)CC[NH2+][C@@H](c2ncccc2C)C(C)C)cc1Cl ZINC000411377527 823567508 /nfs/dbraw/zinc/56/75/08/823567508.db2.gz MFVDGKSRZJFVAO-LJQANCHMSA-N 1 0 375.900 4.368 20 0 GIADRO CC[C@@](C)([NH2+]CCC(=O)Nc1ccccc1Br)c1nc(C)cs1 ZINC000411383603 823568176 /nfs/dbraw/zinc/56/81/76/823568176.db2.gz HYURAUYNZCHRFQ-QGZVFWFLSA-N 1 0 396.354 4.458 20 0 GIADRO CC[NH2+]Cc1cccc(NC(=O)C2CCN(c3nc4ccccc4s3)CC2)c1 ZINC000124107093 823568292 /nfs/dbraw/zinc/56/82/92/823568292.db2.gz XQIROKFLNSCSEC-UHFFFAOYSA-N 1 0 394.544 4.261 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CN[C@@H](C)c1nc(Cc2ccc(F)cc2)no1 ZINC000124110883 823568408 /nfs/dbraw/zinc/56/84/08/823568408.db2.gz UWGSJSOCNLPXFI-KRWDZBQOSA-N 1 0 396.510 4.492 20 0 GIADRO OC1(CC[NH2+]C2(c3ccc(OCc4ccccc4)cc3)CCOCC2)CCC1 ZINC000411387028 823568521 /nfs/dbraw/zinc/56/85/21/823568521.db2.gz RNCSYXIEYKMINZ-UHFFFAOYSA-N 1 0 381.516 4.166 20 0 GIADRO O[C@H](C[NH2+]Cc1ccccc1OCC1CC1)c1ccc(OC(F)(F)F)cc1 ZINC000060952916 823568988 /nfs/dbraw/zinc/56/89/88/823568988.db2.gz XPXCFXSUOFEZRX-GOSISDBHSA-N 1 0 381.394 4.197 20 0 GIADRO CC(C)[N@H+](CCC(=O)NC(c1ccccc1)c1ccccc1)C1CCOCC1 ZINC000411390167 823569073 /nfs/dbraw/zinc/56/90/73/823569073.db2.gz OCZDYCDNFQJTHX-UHFFFAOYSA-N 1 0 380.532 4.172 20 0 GIADRO Fc1cccc(COc2ccc(C[NH2+]C3CCN(CC(F)F)CC3)cc2)c1 ZINC000060953550 823569106 /nfs/dbraw/zinc/56/91/06/823569106.db2.gz UMULNURVPXJJGJ-UHFFFAOYSA-N 1 0 378.438 4.224 20 0 GIADRO FC(F)COc1ccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000124128230 823569932 /nfs/dbraw/zinc/56/99/32/823569932.db2.gz GJXLWEQGVNAZOV-KRWDZBQOSA-N 1 0 390.478 4.028 20 0 GIADRO COC1CC[NH+](CCNC(=O)Nc2cc(C)ccc2Oc2ccccc2)CC1 ZINC000124128638 823570154 /nfs/dbraw/zinc/57/01/54/823570154.db2.gz YJTXISCOFZMLLY-UHFFFAOYSA-N 1 0 383.492 4.020 20 0 GIADRO CC(C)(C)[NH+]1CCC(NC(=O)C(C)(C)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000190412341 823570377 /nfs/dbraw/zinc/57/03/77/823570377.db2.gz DLZSSIZAGCPUDC-UHFFFAOYSA-N 1 0 386.458 4.242 20 0 GIADRO CSc1ccc(NC(=O)C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)cc1Cl ZINC000411401686 823570429 /nfs/dbraw/zinc/57/04/29/823570429.db2.gz YDLNDEQXJYIDGW-UHFFFAOYSA-N 1 0 391.924 4.009 20 0 GIADRO CCS(=O)(=O)CCCCC[NH+]1CCC(c2c(C)[nH]c3ccccc32)CC1 ZINC000190417007 823570963 /nfs/dbraw/zinc/57/09/63/823570963.db2.gz WFWLUYZCEJYHEK-UHFFFAOYSA-N 1 0 376.566 4.261 20 0 GIADRO CC(C)c1c(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cnn1-c1ccc(Cl)cc1 ZINC000124143636 823571372 /nfs/dbraw/zinc/57/13/72/823571372.db2.gz HMTLLFYHXSKVEC-CRAIPNDOSA-N 1 0 388.943 4.204 20 0 GIADRO CSC[C@H](CCO)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1C ZINC000124146591 823571776 /nfs/dbraw/zinc/57/17/76/823571776.db2.gz JOAGFIPWTXDFSZ-IBGZPJMESA-N 1 0 381.545 4.051 20 0 GIADRO C[C@H](c1ccncc1)[N@H+](C)CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000411417960 823571823 /nfs/dbraw/zinc/57/18/23/823571823.db2.gz JFZBCRDQBUGIHN-VGOFRKELSA-N 1 0 379.529 4.432 20 0 GIADRO Ic1ccccc1C[NH2+]CCc1c[nH]c2ccccc12 ZINC000061003478 823572377 /nfs/dbraw/zinc/57/23/77/823572377.db2.gz XXUQABHKQFDUTO-UHFFFAOYSA-N 1 0 376.241 4.105 20 0 GIADRO Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+]C[C@H](c1ccccc1)N(C)C ZINC000061012464 823572714 /nfs/dbraw/zinc/57/27/14/823572714.db2.gz KFVINGTXTURAAZ-HXUWFJFHSA-N 1 0 386.902 4.366 20 0 GIADRO c1cn(CC[NH2+]Cc2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)cn1 ZINC000061014624 823572939 /nfs/dbraw/zinc/57/29/39/823572939.db2.gz GJKFCEIQWAHYQU-UHFFFAOYSA-N 1 0 383.455 4.272 20 0 GIADRO Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+]C[C@H](c1ccco1)N1CCCC1 ZINC000061013964 823572988 /nfs/dbraw/zinc/57/29/88/823572988.db2.gz KILOUPDSVCLZHC-LJQANCHMSA-N 1 0 384.911 4.354 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCCCOC1CCCC1 ZINC000061017164 823573304 /nfs/dbraw/zinc/57/33/04/823573304.db2.gz JRNOBGRMMHTQSW-LJQANCHMSA-N 1 0 387.568 4.210 20 0 GIADRO C[C@H](c1ccncc1)[N@H+](C)CCc1nc2sc3c(c2c(N)n1)CC[C@@H](C)C3 ZINC000411430959 823573398 /nfs/dbraw/zinc/57/33/98/823573398.db2.gz YYLRCAYVASYJOR-ZIAGYGMSSA-N 1 0 381.549 4.029 20 0 GIADRO COc1ccc(OC)c([C@H](C)[NH2+]CCC(=O)Nc2ccc(OC)c(Cl)c2)c1 ZINC000411436701 823573973 /nfs/dbraw/zinc/57/39/73/823573973.db2.gz IGJMZUSFFAHICZ-ZDUSSCGKSA-N 1 0 392.883 4.045 20 0 GIADRO COc1ccc(OC)c([C@H](C)[NH2+]CCC(=O)Nc2ccc(Cl)cc2F)c1 ZINC000411435943 823574004 /nfs/dbraw/zinc/57/40/04/823574004.db2.gz FROVHGQQSRCLSQ-LBPRGKRZSA-N 1 0 380.847 4.176 20 0 GIADRO c1ccc(-c2cccc(C[N@@H+]3CCC[C@H](c4nnc5n4CCCCC5)C3)c2)nc1 ZINC000124170167 823574058 /nfs/dbraw/zinc/57/40/58/823574058.db2.gz JAYLZCKMMMIVOF-NRFANRHFSA-N 1 0 387.531 4.446 20 0 GIADRO CNC(=O)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(-c2ccccc2)cc1 ZINC000061027800 823574114 /nfs/dbraw/zinc/57/41/14/823574114.db2.gz IGDBRSSIPYOQAH-UHFFFAOYSA-N 1 0 396.494 4.042 20 0 GIADRO Cc1c(C[N@@H+]2CCC[C@H]2c2cccc(Cl)c2)c(=O)n(-c2ccccc2)n1C ZINC000124168826 823574115 /nfs/dbraw/zinc/57/41/15/823574115.db2.gz YCOVCRITZCGWRJ-NRFANRHFSA-N 1 0 381.907 4.475 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000411439614 823574166 /nfs/dbraw/zinc/57/41/66/823574166.db2.gz QEMOMTGPTPQJST-AWEZNQCLSA-N 1 0 398.457 4.447 20 0 GIADRO CC[NH2+]Cc1ccccc1NC(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000124170447 823574373 /nfs/dbraw/zinc/57/43/73/823574373.db2.gz DQLYONCJUMRJDB-CVEARBPZSA-N 1 0 378.394 4.437 20 0 GIADRO CC(C)(C)C[C@@H]([NH2+]CCC(=O)Nc1ccc(C(N)=O)cc1)c1ccc(F)cc1 ZINC000411442765 823574643 /nfs/dbraw/zinc/57/46/43/823574643.db2.gz AVOGRSDSDVLLCB-LJQANCHMSA-N 1 0 385.483 4.020 20 0 GIADRO CC1(C)CN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CC[C@H]1C(F)(F)F ZINC000190441615 823574698 /nfs/dbraw/zinc/57/46/98/823574698.db2.gz CFVIHNZYGXFICE-GDBMZVCRSA-N 1 0 387.446 4.037 20 0 GIADRO CCCOc1cc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)ccc1OC ZINC000124179022 823575042 /nfs/dbraw/zinc/57/50/42/823575042.db2.gz GXDYMMHSQJIGHG-LJQANCHMSA-N 1 0 398.551 4.182 20 0 GIADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C(=O)Nc2ccccc2)c2ccccc2)C[C@@H]1C ZINC000461094166 823575519 /nfs/dbraw/zinc/57/55/19/823575519.db2.gz JWBTYKDFWBBSRL-MVWVFHAYSA-N 1 0 394.515 4.324 20 0 GIADRO C[C@@H]([NH2+]CCc1nc2ccccc2c(=O)[nH]1)c1ccc(OCC(F)(F)F)cc1 ZINC000411448047 823575509 /nfs/dbraw/zinc/57/55/09/823575509.db2.gz DQIAMZVTWQSSKT-CYBMUJFWSA-N 1 0 391.393 4.170 20 0 GIADRO CCCNC(=O)CCC[NH2+][C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000411448116 823575538 /nfs/dbraw/zinc/57/55/38/823575538.db2.gz DTOCARZWGWNCRP-INIZCTEOSA-N 1 0 385.483 4.035 20 0 GIADRO CCOc1ccc(O)c(C[NH2+][C@H](C)c2ccc(Br)cc2OC)c1 ZINC000190446839 823575631 /nfs/dbraw/zinc/57/56/31/823575631.db2.gz IWGCPCBFWWNAFR-GFCCVEGCSA-N 1 0 380.282 4.413 20 0 GIADRO C[C@H]([NH2+][C@H]1CCc2ccccc2NC1=O)c1ccc(OCC(F)(F)F)cc1 ZINC000411451563 823575995 /nfs/dbraw/zinc/57/59/95/823575995.db2.gz HWOISKQWLMSBSF-UGSOOPFHSA-N 1 0 378.394 4.232 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCc2ccccc2NC1=O)c1ccc(OCC(F)(F)F)cc1 ZINC000411451560 823576057 /nfs/dbraw/zinc/57/60/57/823576057.db2.gz HWOISKQWLMSBSF-SCLBCKFNSA-N 1 0 378.394 4.232 20 0 GIADRO COc1cc(F)c([C@H](C)[NH2+]CCC(=O)Nc2ccc(Cl)cc2F)cc1OC ZINC000411452735 823576272 /nfs/dbraw/zinc/57/62/72/823576272.db2.gz BNODOENTXXRSPW-NSHDSACASA-N 1 0 398.837 4.315 20 0 GIADRO CCOc1ccccc1NC(=O)CC[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000411452275 823576288 /nfs/dbraw/zinc/57/62/88/823576288.db2.gz WFLAGIHDJBSISV-CQSZACIVSA-N 1 0 378.419 4.366 20 0 GIADRO Cc1c([C@H](C)[NH2+]CCC(=O)Nc2cccc(F)c2C)cnn1-c1ccc(F)cc1 ZINC000411453605 823576410 /nfs/dbraw/zinc/57/64/10/823576410.db2.gz KCMUSKQNLVFRST-HNNXBMFYSA-N 1 0 398.457 4.447 20 0 GIADRO COc1ccc(CNC(=O)C[NH2+][C@@H](C)c2ccc(-c3cccs3)cc2)cc1 ZINC000461098107 823576640 /nfs/dbraw/zinc/57/66/40/823576640.db2.gz MPJOJCRBKSJBOV-INIZCTEOSA-N 1 0 380.513 4.391 20 0 GIADRO O=C(CC[NH2+][C@H](CC(F)(F)F)c1ccccc1)NC(=O)Nc1ccccc1 ZINC000411456045 823576646 /nfs/dbraw/zinc/57/66/46/823576646.db2.gz MGHJHJLFLKQTAV-MRXNPFEDSA-N 1 0 379.382 4.008 20 0 GIADRO CC[N@H+](CC(=O)Nc1ccccc1Br)Cc1c[nH]c2ccccc12 ZINC000190454257 823576717 /nfs/dbraw/zinc/57/67/17/823576717.db2.gz NOKVNTCZJQYXBZ-UHFFFAOYSA-N 1 0 386.293 4.391 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1CNCc1ccccc1Br ZINC000061069957 823576722 /nfs/dbraw/zinc/57/67/22/823576722.db2.gz OYECVRBHESPEAL-UHFFFAOYSA-N 1 0 391.353 4.460 20 0 GIADRO CCc1ocnc1C(=O)N(CC[NH+](CC)CC)c1cccc(C(F)(F)F)c1 ZINC000461099209 823577042 /nfs/dbraw/zinc/57/70/42/823577042.db2.gz RKLNXXDKYXMJST-UHFFFAOYSA-N 1 0 383.414 4.244 20 0 GIADRO O=C(CC[NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1)Nc1ccccc1C(F)(F)F ZINC000411457977 823577061 /nfs/dbraw/zinc/57/70/61/823577061.db2.gz IKSVBOUPJLYNKR-UZLBHIALSA-N 1 0 392.421 4.401 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccnn2C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000190459124 823577415 /nfs/dbraw/zinc/57/74/15/823577415.db2.gz ZEKLIXDJHNEHBA-IEBWSBKVSA-N 1 0 383.540 4.155 20 0 GIADRO CCCCNC(=O)CC[NH2+][C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000411464305 823577772 /nfs/dbraw/zinc/57/77/72/823577772.db2.gz XXWUAMVAEQRMSV-INIZCTEOSA-N 1 0 385.483 4.035 20 0 GIADRO COc1ccc([C@@H](CCO)[NH2+]Cc2cccc(Br)c2Cl)cc1 ZINC000411463880 823577799 /nfs/dbraw/zinc/57/77/99/823577799.db2.gz SWCSSNRWFARRRH-MRXNPFEDSA-N 1 0 384.701 4.324 20 0 GIADRO COc1ccc(C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)c(C)c1 ZINC000461102641 823577863 /nfs/dbraw/zinc/57/78/63/823577863.db2.gz PJTDJZVKNSMZMG-UHFFFAOYSA-N 1 0 394.559 4.468 20 0 GIADRO COCCSc1ccc([C@@H](C)[NH2+]Cc2ccc(Br)cn2)cc1 ZINC000411465366 823577912 /nfs/dbraw/zinc/57/79/12/823577912.db2.gz ONGWVGZIKXRFJV-CYBMUJFWSA-N 1 0 381.339 4.433 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[NH2+]C(C)(C)c1cccc(F)c1 ZINC000411467882 823578311 /nfs/dbraw/zinc/57/83/11/823578311.db2.gz CGBPMVKLPVLZTK-UHFFFAOYSA-N 1 0 394.494 4.482 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCCc3c(O)cccc32)CC[N@@H+]1Cc1ccccc1 ZINC000190470612 823578622 /nfs/dbraw/zinc/57/86/22/823578622.db2.gz LSDLOZYNGDBXQZ-KKLQWCBXSA-N 1 0 392.543 4.324 20 0 GIADRO CCc1cccc(CC(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)c1 ZINC000124224870 823578806 /nfs/dbraw/zinc/57/88/06/823578806.db2.gz LHXHAJRJNHPVOG-UHFFFAOYSA-N 1 0 383.511 4.100 20 0 GIADRO C[NH+](C)C1(CNC(=O)NCc2ccc(OCc3cccc(F)c3)cc2)CCCC1 ZINC000061113566 823578891 /nfs/dbraw/zinc/57/88/91/823578891.db2.gz USJNGOIOVJWTDA-UHFFFAOYSA-N 1 0 399.510 4.078 20 0 GIADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2NC(=O)c2cccs2)C1 ZINC000124228233 823579165 /nfs/dbraw/zinc/57/91/65/823579165.db2.gz GUVMVBLNLDDAEG-KRWDZBQOSA-N 1 0 399.560 4.098 20 0 GIADRO Cc1nn(Cc2ccccc2)c2sc(C(=O)N(C)[C@H]3CC[N@H+](C)[C@H](C)C3)cc12 ZINC000124229034 823579239 /nfs/dbraw/zinc/57/92/39/823579239.db2.gz PSKROWSQYMBUTG-QAPCUYQASA-N 1 0 396.560 4.009 20 0 GIADRO COC[C@@H]([NH2+]CCC(=O)Nc1c(Cl)cccc1Cl)c1ccc(F)cc1 ZINC000411475772 823579230 /nfs/dbraw/zinc/57/92/30/823579230.db2.gz OIVTXBDUBOYTSE-MRXNPFEDSA-N 1 0 385.266 4.438 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H]2CC(C)(C)Oc3ccccc32)CC1 ZINC000411478665 823579459 /nfs/dbraw/zinc/57/94/59/823579459.db2.gz UXVRVLTUXIEQKF-JOCHJYFZSA-N 1 0 392.543 4.421 20 0 GIADRO CC(C)[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)o1)c1ccc(C(F)(F)F)cc1 ZINC000411478307 823579465 /nfs/dbraw/zinc/57/94/65/823579465.db2.gz UKWDMBDGVWVOJN-INIZCTEOSA-N 1 0 375.412 4.189 20 0 GIADRO CCOc1ccc(NC(=O)CC[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)cc1 ZINC000411479741 823579597 /nfs/dbraw/zinc/57/95/97/823579597.db2.gz URPGIXYUUBKPGU-AVRDEDQJSA-N 1 0 382.504 4.171 20 0 GIADRO Cn1cc([C@@H]([NH2+]CCC(=O)Nc2cc(Cl)ccc2Cl)C(C)(C)C)cn1 ZINC000411479315 823579680 /nfs/dbraw/zinc/57/96/80/823579680.db2.gz VSUBWCZEJYTLON-QGZVFWFLSA-N 1 0 383.323 4.433 20 0 GIADRO O=C(CC[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1)NCc1ccccc1Cl ZINC000411481530 823580062 /nfs/dbraw/zinc/58/00/62/823580062.db2.gz XULDFQLHDKUWMI-DYESRHJHSA-N 1 0 386.923 4.104 20 0 GIADRO COC1CC[NH+](C(C)(C)CNC(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)CC1 ZINC000461115222 823580185 /nfs/dbraw/zinc/58/01/85/823580185.db2.gz SFVXNBVWMGUALP-ROUUACIJSA-N 1 0 399.362 4.103 20 0 GIADRO CC(C)[NH+]1CCN(c2ccc(C(=O)N(C)[C@@H](C)c3ccccc3F)cc2)CC1 ZINC000061138998 823580218 /nfs/dbraw/zinc/58/02/18/823580218.db2.gz HQFINQCVSZHMTG-SFHVURJKSA-N 1 0 383.511 4.189 20 0 GIADRO CCN(Cc1ccccc1C)C(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000061139736 823580304 /nfs/dbraw/zinc/58/03/04/823580304.db2.gz JYJFSEXKHCTDEM-UHFFFAOYSA-N 1 0 379.548 4.188 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[NH2+][C@H](C)c1cccc(F)c1F ZINC000411486494 823580545 /nfs/dbraw/zinc/58/05/45/823580545.db2.gz TZAIFRDUDNCHRG-CQSZACIVSA-N 1 0 398.457 4.447 20 0 GIADRO COc1cc(NC(=O)CC[NH2+][C@@H](C)[C@H](C)c2ccccc2)c(OC)cc1Cl ZINC000411493821 823581116 /nfs/dbraw/zinc/58/11/16/823581116.db2.gz SRTPHPCPTYCQPM-GJZGRUSLSA-N 1 0 390.911 4.468 20 0 GIADRO C[NH+]1CCC(NC(=O)NCCCN2c3ccccc3Sc3ccccc32)CC1 ZINC000061158808 823581316 /nfs/dbraw/zinc/58/13/16/823581316.db2.gz ZQQUOFXBRHHKMV-UHFFFAOYSA-N 1 0 396.560 4.073 20 0 GIADRO O=C(N[C@H]1CCC[NH2+]C1)c1oc2ccccc2c1CSc1ccc(F)cc1 ZINC000124254795 823581425 /nfs/dbraw/zinc/58/14/25/823581425.db2.gz VCNGTVMZOANCKD-HNNXBMFYSA-N 1 0 384.476 4.346 20 0 GIADRO CC(C)(COc1ccc(C(F)(F)F)cn1)[NH2+]CCC(=O)Nc1ccccc1F ZINC000411496173 823581552 /nfs/dbraw/zinc/58/15/52/823581552.db2.gz XARYDAMPCZTVFJ-UHFFFAOYSA-N 1 0 399.388 4.015 20 0 GIADRO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)Nc2ccc(OC(C)(C)C)cc2)C1 ZINC000190503764 823581692 /nfs/dbraw/zinc/58/16/92/823581692.db2.gz JGVFBRCVMMQJLM-IBGZPJMESA-N 1 0 396.535 4.245 20 0 GIADRO Clc1cccc(-c2noc(CC[NH+]3CCC(CCCn4ccnc4)CC3)n2)c1 ZINC000411503272 823582077 /nfs/dbraw/zinc/58/20/77/823582077.db2.gz KOUNMOMXKHKYSZ-UHFFFAOYSA-N 1 0 399.926 4.321 20 0 GIADRO C[C@@H]1COc2ccccc2C[N@@H+]1CCC(=O)Nc1ccccc1Br ZINC000411506838 823582227 /nfs/dbraw/zinc/58/22/27/823582227.db2.gz QRNSFUCIHZJWMR-CQSZACIVSA-N 1 0 389.293 4.061 20 0 GIADRO CC(=O)Nc1cc(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)cc(C(F)(F)F)c1 ZINC000124266886 823582338 /nfs/dbraw/zinc/58/23/38/823582338.db2.gz CDWXJLRZEDHLEN-CQSZACIVSA-N 1 0 399.457 4.048 20 0 GIADRO CC[C@@H]([NH2+]CCC(=O)Nc1c(C)nn(-c2ccccc2)c1C)c1nccs1 ZINC000411512619 823582860 /nfs/dbraw/zinc/58/28/60/823582860.db2.gz BHARKOCMJOHKIJ-QGZVFWFLSA-N 1 0 383.521 4.015 20 0 GIADRO CC[C@H]([NH2+]CCc1nc(-c2ccccc2)no1)c1nc(C(F)(F)F)cs1 ZINC000411514147 823583048 /nfs/dbraw/zinc/58/30/48/823583048.db2.gz FPMMQGQMYCGROB-LBPRGKRZSA-N 1 0 382.411 4.495 20 0 GIADRO CC[C@H]([NH2+]CCC(=O)Nc1ccc(Br)cc1F)c1c(C)noc1C ZINC000411516977 823583428 /nfs/dbraw/zinc/58/34/28/823583428.db2.gz KZFOWMCEEIWRPT-AWEZNQCLSA-N 1 0 398.276 4.263 20 0 GIADRO Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(S(C)(=O)=O)o1 ZINC000411515916 823583535 /nfs/dbraw/zinc/58/35/35/823583535.db2.gz IRYCOUIGPSASKY-QGZVFWFLSA-N 1 0 375.515 4.127 20 0 GIADRO CC(C)[NH+]1CCN(c2ccc(C(=O)N3CCC(c4ccccc4)CC3)cc2)CC1 ZINC000061195504 823583782 /nfs/dbraw/zinc/58/37/82/823583782.db2.gz DRFUSAQUIVSDHI-UHFFFAOYSA-N 1 0 391.559 4.237 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@H](c1ncc(C)s1)C1CC1 ZINC000411521757 823584338 /nfs/dbraw/zinc/58/43/38/823584338.db2.gz ZGRCUDCPIODYGO-KRWDZBQOSA-N 1 0 379.913 4.183 20 0 GIADRO C[C@H]1C[C@H](c2cccnc2)[N@H+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000411524008 823584532 /nfs/dbraw/zinc/58/45/32/823584532.db2.gz JMWZFRYYXSOCFQ-KBXCAEBGSA-N 1 0 388.309 4.256 20 0 GIADRO COc1cc(NC(=O)CC[NH2+][C@@H](C)c2cc(C)oc2C)c(OC)cc1Cl ZINC000411523288 823584540 /nfs/dbraw/zinc/58/45/40/823584540.db2.gz YFNLVHQBNXIOKK-LBPRGKRZSA-N 1 0 380.872 4.246 20 0 GIADRO C[C@@H]([NH2+]CCC(=O)N1CCc2sccc2C1)c1nc(C(C)(C)C)cs1 ZINC000411523479 823584555 /nfs/dbraw/zinc/58/45/55/823584555.db2.gz YOGZTILQSQTOAJ-CYBMUJFWSA-N 1 0 377.579 4.128 20 0 GIADRO Cc1ccc(C(C)(C)[NH2+]CCC(=O)Nc2ccccc2Br)cn1 ZINC000411528719 823584956 /nfs/dbraw/zinc/58/49/56/823584956.db2.gz QNIIHVFVHDIJBF-UHFFFAOYSA-N 1 0 376.298 4.006 20 0 GIADRO Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000124298206 823585117 /nfs/dbraw/zinc/58/51/17/823585117.db2.gz ONLCNQHVCROETK-IAGOWNOFSA-N 1 0 380.602 4.398 20 0 GIADRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CC(=O)N3CCCC[C@H]3C)s2)cc1 ZINC000411529233 823585192 /nfs/dbraw/zinc/58/51/92/823585192.db2.gz HQHFWKCPSJWWPH-CABCVRRESA-N 1 0 387.549 4.179 20 0 GIADRO C[C@H]1C[C@H](NC(=O)N2CCC(c3ccncc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000190552784 823585605 /nfs/dbraw/zinc/58/56/05/823585605.db2.gz KAXAKYWLAZLKDS-WMZHIEFXSA-N 1 0 392.547 4.024 20 0 GIADRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCc1ccc(Br)cn1 ZINC000411534289 823585799 /nfs/dbraw/zinc/58/57/99/823585799.db2.gz PCESJOIUNXPFKI-HOTGVXAUSA-N 1 0 388.353 4.090 20 0 GIADRO CCOC(=O)CCc1ccc(NC(=O)c2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000124306115 823585903 /nfs/dbraw/zinc/58/59/03/823585903.db2.gz XXRPXHCIEZPLAV-UHFFFAOYSA-N 1 0 380.488 4.030 20 0 GIADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2cccc(NC(=O)c3cccs3)c2)C1 ZINC000124314953 823586567 /nfs/dbraw/zinc/58/65/67/823586567.db2.gz BVFPFWJLXHZHQR-QGZVFWFLSA-N 1 0 399.560 4.098 20 0 GIADRO COc1ccc(NC(=O)CC[NH2+][C@H](C)c2cn(C(C)(C)C)nc2C)cc1Cl ZINC000411541176 823586706 /nfs/dbraw/zinc/58/67/06/823586706.db2.gz HINCPPBHHQNANK-CYBMUJFWSA-N 1 0 392.931 4.288 20 0 GIADRO C[C@@H](NCc1ccc(C[NH+]2CCCCC2)cc1)c1noc(Cc2ccccc2)n1 ZINC000411545308 823587172 /nfs/dbraw/zinc/58/71/72/823587172.db2.gz WMYICLIRERAASW-LJQANCHMSA-N 1 0 390.531 4.497 20 0 GIADRO Cc1ccc([C@@H](C)[N@H+](C)CC(=O)N(C)Cc2ccc(OC(F)F)cc2)cc1 ZINC000061255544 823587708 /nfs/dbraw/zinc/58/77/08/823587708.db2.gz JVWQBGJIMVOOPA-MRXNPFEDSA-N 1 0 376.447 4.248 20 0 GIADRO O=C(CC[NH2+][C@@H]1CCCC[C@H]1n1cccn1)Nc1cc(Cl)ccc1Cl ZINC000411558611 823587949 /nfs/dbraw/zinc/58/79/49/823587949.db2.gz LZEFPKURHHQSRT-NVXWUHKLSA-N 1 0 381.307 4.292 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)c2nn(C(C)C)c(=O)c3ccccc32)cc1 ZINC000190581634 823588176 /nfs/dbraw/zinc/58/81/76/823588176.db2.gz KBLQMORTAZYMMR-UHFFFAOYSA-N 1 0 392.503 4.072 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCCCn1ccc2ccccc21 ZINC000061262100 823588319 /nfs/dbraw/zinc/58/83/19/823588319.db2.gz OMVWWDVBUPYFFE-UHFFFAOYSA-N 1 0 392.547 4.371 20 0 GIADRO O=C(CC[NH2+][C@H]1CCCC[C@H]1n1cccn1)Nc1c(Cl)cccc1Cl ZINC000411564432 823588398 /nfs/dbraw/zinc/58/83/98/823588398.db2.gz VYQVYOSLWJELHG-JKSUJKDBSA-N 1 0 381.307 4.292 20 0 GIADRO O=C(CCOc1ccccc1Cl)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000061285921 823589554 /nfs/dbraw/zinc/58/95/54/823589554.db2.gz JGIMOCCJPOJXKI-UHFFFAOYSA-N 1 0 390.936 4.296 20 0 GIADRO Cc1cccc(C2(C(=O)Nc3ccc(CC[NH+]4CCSCC4)cc3)CC2)c1 ZINC000061287261 823589819 /nfs/dbraw/zinc/58/98/19/823589819.db2.gz XLSLLFBOYZJDBV-UHFFFAOYSA-N 1 0 380.557 4.257 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)[C@@H]1CCCc2ccccc21 ZINC000061288159 823590025 /nfs/dbraw/zinc/59/00/25/823590025.db2.gz LPOVDMXRKQUAFW-JOCHJYFZSA-N 1 0 380.557 4.337 20 0 GIADRO Brc1ccc([C@@H]([NH2+]Cc2ccc(-n3cncn3)cc2)C2CC2)s1 ZINC000190600280 823590198 /nfs/dbraw/zinc/59/01/98/823590198.db2.gz FWESNDASLQMEFL-KRWDZBQOSA-N 1 0 389.322 4.332 20 0 GIADRO O=C(C[C@@H](c1ccc(O)cc1)C1CC1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000411616543 823591102 /nfs/dbraw/zinc/59/11/02/823591102.db2.gz JPNRPNXURYEDDE-XMMPIXPASA-N 1 0 392.543 4.304 20 0 GIADRO CC[C@@H](NC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1)c1c(C)noc1C ZINC000124374960 823591348 /nfs/dbraw/zinc/59/13/48/823591348.db2.gz CXTCHQYJQGKHFI-OXQOHEQNSA-N 1 0 384.524 4.267 20 0 GIADRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000411636183 823592731 /nfs/dbraw/zinc/59/27/31/823592731.db2.gz XEOBZPPPIIBYEB-LSDHHAIUSA-N 1 0 387.505 4.340 20 0 GIADRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1sc(-c2ccc(C(F)(F)F)cc2)nc1C ZINC000411635300 823592926 /nfs/dbraw/zinc/59/29/26/823592926.db2.gz ARCLFWFNRRDXTH-HUUCEWRRSA-N 1 0 397.466 4.142 20 0 GIADRO C[C@H]1CC[C@H]([N@H+](CCO)Cc2nc(=O)c3cc(-c4ccccc4)sc3[nH]2)C1 ZINC000411639421 823593107 /nfs/dbraw/zinc/59/31/07/823593107.db2.gz FITYGBUGNVDBNG-HOCLYGCPSA-N 1 0 383.517 4.047 20 0 GIADRO COc1ccc(CCCC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000061368126 823593671 /nfs/dbraw/zinc/59/36/71/823593671.db2.gz WNNOKNAAKCXZGW-UHFFFAOYSA-N 1 0 380.532 4.320 20 0 GIADRO COc1ccccc1NC(=O)c1ccc(NC(=O)CC[NH2+][C@H]2CCC[C@@H]2C)cc1 ZINC000411654099 823594700 /nfs/dbraw/zinc/59/47/00/823594700.db2.gz WYJYUFSNCBWRQM-LPHOPBHVSA-N 1 0 395.503 4.054 20 0 GIADRO COCCCC[C@@H]([NH2+]CCC(=O)N1CCc2sccc2C1)c1ccccc1 ZINC000411661695 823595537 /nfs/dbraw/zinc/59/55/37/823595537.db2.gz VSANVCFTKIHVCH-HXUWFJFHSA-N 1 0 386.561 4.171 20 0 GIADRO CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCc1nc(-c2ccccc2)no1 ZINC000411697565 823597801 /nfs/dbraw/zinc/59/78/01/823597801.db2.gz WDXOTHKIMZSGGA-NRFANRHFSA-N 1 0 390.531 4.169 20 0 GIADRO O=C(CC[NH2+][C@H]1CCc2ccccc2OC1)Nc1ccccc1C(F)(F)F ZINC000411699838 823597842 /nfs/dbraw/zinc/59/78/42/823597842.db2.gz YTGHHLXMMQTNFX-HNNXBMFYSA-N 1 0 378.394 4.017 20 0 GIADRO O=C(CC[NH2+][C@@H]1CCc2ccccc2OC1)Nc1ccccc1C(F)(F)F ZINC000411699840 823597875 /nfs/dbraw/zinc/59/78/75/823597875.db2.gz YTGHHLXMMQTNFX-OAHLLOKOSA-N 1 0 378.394 4.017 20 0 GIADRO Cc1nn(C)c2ncc(C[NH2+]C(C)(C)Cc3ccc(C(F)(F)F)cc3)cc12 ZINC000190685416 823598139 /nfs/dbraw/zinc/59/81/39/823598139.db2.gz CDWRIFNQNFMZFI-UHFFFAOYSA-N 1 0 376.426 4.406 20 0 GIADRO CCCn1nc(C)c(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)c1C ZINC000124456443 823598264 /nfs/dbraw/zinc/59/82/64/823598264.db2.gz NSQMFKOGPSPLIS-UHFFFAOYSA-N 1 0 386.565 4.019 20 0 GIADRO CC[C@H]([NH2+]CCC(=O)Nc1ccccc1SC)c1ccc(OC)c(OC)c1 ZINC000411715688 823599275 /nfs/dbraw/zinc/59/92/75/823599275.db2.gz DBGFPPTZEXSHLF-INIZCTEOSA-N 1 0 388.533 4.495 20 0 GIADRO O=C(CC[NH2+][C@@H](CCO)c1ccc(Cl)c(Cl)c1)Nc1ccccc1F ZINC000411716860 823599599 /nfs/dbraw/zinc/59/95/99/823599599.db2.gz HJZXFTCNKGSOMG-INIZCTEOSA-N 1 0 385.266 4.174 20 0 GIADRO CC(C)Oc1cccc([C@@H](C)NC(=O)NCCC[N@H+](C)Cc2ccccc2)c1 ZINC000061501597 823600004 /nfs/dbraw/zinc/60/00/04/823600004.db2.gz OSGTUTOKIPSUFB-LJQANCHMSA-N 1 0 383.536 4.356 20 0 GIADRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+][C@@H](C)C(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000411724025 823600229 /nfs/dbraw/zinc/60/02/29/823600229.db2.gz CZKCYRAJFPCDPI-NASSWSRMSA-N 1 0 396.531 4.346 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)c2csc(-c3cccc(Cl)c3)n2)CC1 ZINC000461219597 823600645 /nfs/dbraw/zinc/60/06/45/823600645.db2.gz QVOAHYGHBBIPIC-UHFFFAOYSA-N 1 0 377.941 4.315 20 0 GIADRO CCOc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H]1c1nc2cc(C)ccc2[nH]1 ZINC000411732046 823600783 /nfs/dbraw/zinc/60/07/83/823600783.db2.gz MUKBEGGWJRAXEV-FQEVSTJZSA-N 1 0 392.503 4.436 20 0 GIADRO COc1cccc(NC(=O)CC[N@@H+]2CCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)c1 ZINC000411730741 823600801 /nfs/dbraw/zinc/60/08/01/823600801.db2.gz IYUBZEAIOUBXRH-LJQANCHMSA-N 1 0 398.894 4.391 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@H](c1cccs1)C(C)(C)CO ZINC000411731229 823600807 /nfs/dbraw/zinc/60/08/07/823600807.db2.gz ALWJGDXPVNYPDT-GOSISDBHSA-N 1 0 396.940 4.088 20 0 GIADRO CSc1ccccc1NC(=O)CC[NH2+][C@H](c1cccs1)C(C)(C)CO ZINC000411732494 823600820 /nfs/dbraw/zinc/60/08/20/823600820.db2.gz DHFLRVZEDOAUQJ-GOSISDBHSA-N 1 0 378.563 4.148 20 0 GIADRO O=C(NCCCOC1CCCCC1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000061523498 823601328 /nfs/dbraw/zinc/60/13/28/823601328.db2.gz AREMAZRRXHJZHB-UHFFFAOYSA-N 1 0 387.568 4.211 20 0 GIADRO O=C(Nc1ccc(Cl)cc1-c1ccccc1)N1CC[NH+](C2CCOCC2)CC1 ZINC000190714815 823601391 /nfs/dbraw/zinc/60/13/91/823601391.db2.gz GNODFRJUMNJOGN-UHFFFAOYSA-N 1 0 399.922 4.336 20 0 GIADRO CC[C@@H](NC(=O)C(=O)Nc1cccc2c1C[N@@H+]([C@@H](C)C(C)C)C2)c1ccccc1 ZINC000411742926 823601514 /nfs/dbraw/zinc/60/15/14/823601514.db2.gz FXQJNPFTHHNNGN-LAUBAEHRSA-N 1 0 393.531 4.253 20 0 GIADRO COC[C@H]([NH2+]CCC(=O)Nc1ccccc1SC)c1cccc(Cl)c1 ZINC000411742237 823601528 /nfs/dbraw/zinc/60/15/28/823601528.db2.gz DQWGIHFHTYUGFY-KRWDZBQOSA-N 1 0 378.925 4.368 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)CCCOc2cccc(Cl)c2Cl)CC1 ZINC000461228686 823601598 /nfs/dbraw/zinc/60/15/98/823601598.db2.gz JVTDXRPAYLADOK-UHFFFAOYSA-N 1 0 387.351 4.391 20 0 GIADRO CC1(C)CN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)c2cccc(Cl)c21 ZINC000411743962 823601730 /nfs/dbraw/zinc/60/17/30/823601730.db2.gz JMMURIMHCLYEJN-OAHLLOKOSA-N 1 0 378.969 4.182 20 0 GIADRO CN1CC[C@@H]([NH2+]Cc2ccc(Br)cn2)[C@H]1c1ccc(Cl)cc1 ZINC000411749955 823602217 /nfs/dbraw/zinc/60/22/17/823602217.db2.gz PUTXEBWVXDNFRE-IAGOWNOFSA-N 1 0 380.717 4.033 20 0 GIADRO CSc1ccccc1NC(=O)CC[NH2+][C@H](c1ccccc1)C1(CO)CCC1 ZINC000411754883 823602642 /nfs/dbraw/zinc/60/26/42/823602642.db2.gz HIJHTANDQRPZQL-OAQYLSRUSA-N 1 0 384.545 4.231 20 0 GIADRO C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]Cc3c([O-])ccc(Cl)c3F)cc2)C[C@H](C)O1 ZINC000190730394 823602765 /nfs/dbraw/zinc/60/27/65/823602765.db2.gz YVNKPCMVCOOEEC-GASCZTMLSA-N 1 0 392.902 4.084 20 0 GIADRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@H]1C[C@]1(F)c1ccccc1 ZINC000411758277 823603010 /nfs/dbraw/zinc/60/30/10/823603010.db2.gz NARXCLQIGHXXLA-UGKGYDQZSA-N 1 0 384.520 4.367 20 0 GIADRO O=C(Cc1ccc(OC(F)(F)F)cc1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000061552884 823603307 /nfs/dbraw/zinc/60/33/07/823603307.db2.gz AAGLUZCGZPCKCJ-UHFFFAOYSA-N 1 0 398.469 4.242 20 0 GIADRO CC(C)Oc1ccc(CCNC(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000061553107 823603334 /nfs/dbraw/zinc/60/33/34/823603334.db2.gz OELQXPSOZPYGCP-UHFFFAOYSA-N 1 0 395.547 4.112 20 0 GIADRO CC(C)[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCCCO2 ZINC000061554804 823603488 /nfs/dbraw/zinc/60/34/88/823603488.db2.gz YXSSHXRXBUEBEQ-UHFFFAOYSA-N 1 0 377.488 4.258 20 0 GIADRO O=C(CC[NH2+]C1(Cc2cccc(F)c2)CCOCC1)Nc1ccc(Cl)cc1 ZINC000411768028 823603753 /nfs/dbraw/zinc/60/37/53/823603753.db2.gz PPZZCLFWFQWFCX-UHFFFAOYSA-N 1 0 390.886 4.189 20 0 GIADRO C[NH+](C)CCSc1nnc(-c2cccnc2)n1-c1ccc(Cl)c(Cl)c1 ZINC000061573726 823604640 /nfs/dbraw/zinc/60/46/40/823604640.db2.gz AYBMVWOIPHMLRS-UHFFFAOYSA-N 1 0 394.331 4.290 20 0 GIADRO COCC[C@@H]([NH2+]Cc1csc(C(=O)OC)c1)c1cccc(C(F)(F)F)c1 ZINC000411791518 823605120 /nfs/dbraw/zinc/60/51/20/823605120.db2.gz PYZKIPYKNMBBCO-OAHLLOKOSA-N 1 0 387.423 4.421 20 0 GIADRO CC(C)[C@@H](CO)[C@H]([NH2+]Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(C)C ZINC000411799011 823605971 /nfs/dbraw/zinc/60/59/71/823605971.db2.gz YAGORHMFXIWBKB-OXQOHEQNSA-N 1 0 399.560 4.443 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)CSCc1cc(-c2cccs2)on1 ZINC000061620033 823606456 /nfs/dbraw/zinc/60/64/56/823606456.db2.gz SYEZJRKXYNVRJO-HNNXBMFYSA-N 1 0 393.578 4.017 20 0 GIADRO CC1(C)[C@H]([NH2+]CCC(=O)N[C@@H](c2cccs2)c2ccccc2)[C@H]2CCCO[C@@H]21 ZINC000411811799 823607331 /nfs/dbraw/zinc/60/73/31/823607331.db2.gz YXYPKLFHEQQMSL-CIQXWFTPSA-N 1 0 398.572 4.137 20 0 GIADRO CC(C)c1c(C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cnn1-c1ccc(F)cc1 ZINC000461261797 823607658 /nfs/dbraw/zinc/60/76/58/823607658.db2.gz HCOBJIFOHOBXGX-SFHVURJKSA-N 1 0 386.515 4.081 20 0 GIADRO CCCOc1c(Cl)cc(C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cc1OCC ZINC000461263208 823607973 /nfs/dbraw/zinc/60/79/73/823607973.db2.gz LYMJWTLJIFHAOG-KRWDZBQOSA-N 1 0 396.959 4.474 20 0 GIADRO C[C@@H](Sc1ccc(Br)cc1)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000461265978 823608826 /nfs/dbraw/zinc/60/88/26/823608826.db2.gz PPVRNIYGOXVELK-GDBMZVCRSA-N 1 0 399.398 4.263 20 0 GIADRO CCOc1ccc(OCC)c(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000124588975 823608911 /nfs/dbraw/zinc/60/89/11/823608911.db2.gz PGWZAOXBKUGYOQ-SFHVURJKSA-N 1 0 387.480 4.036 20 0 GIADRO COc1cc(C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cc(Cl)c1OCC(C)C ZINC000461269401 823609492 /nfs/dbraw/zinc/60/94/92/823609492.db2.gz WZIVERFDYGISAH-KRWDZBQOSA-N 1 0 396.959 4.330 20 0 GIADRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1C(F)(F)F)c1nc2c(s1)CCC2 ZINC000411830313 823609863 /nfs/dbraw/zinc/60/98/63/823609863.db2.gz YYLNTFMKYLYCEG-NSHDSACASA-N 1 0 383.439 4.330 20 0 GIADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Cc1csc(-c2ccc(Cl)s2)n1 ZINC000461274140 823610673 /nfs/dbraw/zinc/61/06/73/823610673.db2.gz WFBHBTUBGBYTRN-CQSZACIVSA-N 1 0 397.997 4.400 20 0 GIADRO CCCCc1nnc(NC(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)s1 ZINC000061746591 823611453 /nfs/dbraw/zinc/61/14/53/823611453.db2.gz HCHLBVBDCMYQMQ-QGZVFWFLSA-N 1 0 387.553 4.148 20 0 GIADRO O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N1CCc2c(ccc(Cl)c2Cl)C1 ZINC000411875546 823611929 /nfs/dbraw/zinc/61/19/29/823611929.db2.gz NAOLKQKEZNSQEX-HNNXBMFYSA-N 1 0 399.387 4.096 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)[C@@H]2CC(C)(C)Oc3ccccc32)[NH+]2CCCC2)o1 ZINC000411879945 823612221 /nfs/dbraw/zinc/61/22/21/823612221.db2.gz UVJQUCVEKCZUGK-RTBURBONSA-N 1 0 382.504 4.186 20 0 GIADRO C[C@H](OC[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F)c1ccc(Cl)cc1 ZINC000124629753 823612620 /nfs/dbraw/zinc/61/26/20/823612620.db2.gz GCWKCLAEOIMUMY-NKKGCODLSA-N 1 0 379.850 4.489 20 0 GIADRO C[C@@H](OC[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F)c1ccc(Cl)cc1 ZINC000124629877 823612631 /nfs/dbraw/zinc/61/26/31/823612631.db2.gz GCWKCLAEOIMUMY-VDNDLQMASA-N 1 0 379.850 4.489 20 0 GIADRO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc(C(=O)N(CC)CC)c1)c1ccccc1 ZINC000411884019 823612628 /nfs/dbraw/zinc/61/26/28/823612628.db2.gz OJUJALIBKCHFIL-DYESRHJHSA-N 1 0 381.520 4.237 20 0 GIADRO CN(C(=O)c1ccc(C2CCC2)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000190820957 823612972 /nfs/dbraw/zinc/61/29/72/823612972.db2.gz KTXNMUMLODLHOV-UHFFFAOYSA-N 1 0 377.532 4.128 20 0 GIADRO O=C(c1ccco1)N1CCC([NH2+][C@H](c2cccc(Cl)c2)c2ccccn2)CC1 ZINC000124641242 823613437 /nfs/dbraw/zinc/61/34/37/823613437.db2.gz ADRDWOFGHHZGEI-OAQYLSRUSA-N 1 0 395.890 4.312 20 0 GIADRO CCc1oc2ccccc2c1CNc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000124640649 823613479 /nfs/dbraw/zinc/61/34/79/823613479.db2.gz KQOHOVNBKICEFU-UHFFFAOYSA-N 1 0 379.460 4.077 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)Nc1nnc(C(F)F)s1 ZINC000061777094 823613605 /nfs/dbraw/zinc/61/36/05/823613605.db2.gz IMLBDZCZMAUGJV-UHFFFAOYSA-N 1 0 395.479 4.173 20 0 GIADRO O[C@@H]1C[C@H](c2ccccc2)[N@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000411923252 823614576 /nfs/dbraw/zinc/61/45/76/823614576.db2.gz KMHRDOVDMBXKGV-VQIMIIECSA-N 1 0 383.289 4.305 20 0 GIADRO Cc1cc(C(F)(F)F)ccc1C[NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1 ZINC000190839922 823615060 /nfs/dbraw/zinc/61/50/60/823615060.db2.gz DMYWSHTYFUZMIJ-HOTGVXAUSA-N 1 0 393.453 4.312 20 0 GIADRO 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 823615648 /nfs/dbraw/zinc/61/56/48/823615648.db2.gz QQWUTZUNNKZPLC-MNOVXSKESA-N 1 0 382.348 4.195 20 0 GIADRO COCc1cccc(CNC(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000061868623 823616998 /nfs/dbraw/zinc/61/69/98/823616998.db2.gz GOCLDCSAZUBBBS-LJQANCHMSA-N 1 0 395.547 4.064 20 0 GIADRO CC(C)Oc1ccc(CCNC(=O)NCc2ccccc2C[N@H+](C)C(C)C)cc1 ZINC000061868984 823617034 /nfs/dbraw/zinc/61/70/34/823617034.db2.gz FLEXGNGKBOBWSQ-UHFFFAOYSA-N 1 0 397.563 4.356 20 0 GIADRO COc1ccc(CC(=O)NCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000061885924 823617570 /nfs/dbraw/zinc/61/75/70/823617570.db2.gz LYWRKCVCMRIFJI-OALUTQOASA-N 1 0 380.532 4.032 20 0 GIADRO Cc1sc2nc([C@H](C)N3CC[N@H+](Cc4ccccc4)[C@H](C)C3)[nH]c(=O)c2c1C ZINC000411980471 823617618 /nfs/dbraw/zinc/61/76/18/823617618.db2.gz GSDGVXBAVVAPOP-ZBFHGGJFSA-N 1 0 396.560 4.281 20 0 GIADRO CSc1ccccc1OC[C@@H](O)C[N@H+](Cc1cn2cc(C)ccc2n1)C(C)C ZINC000411991872 823618833 /nfs/dbraw/zinc/61/88/33/823618833.db2.gz YLMHJKCMNFSQIQ-IBGZPJMESA-N 1 0 399.560 4.015 20 0 GIADRO O=C1[C@H]([N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)CCCN1c1ccccc1 ZINC000411994858 823619112 /nfs/dbraw/zinc/61/91/12/823619112.db2.gz BHNCTBUPSLJBPG-YADHBBJMSA-N 1 0 376.500 4.036 20 0 GIADRO CCN(C)c1ccc(C[NH2+]Cc2cccc(NC(=O)C3CCCCC3)c2)cn1 ZINC000190882433 823619286 /nfs/dbraw/zinc/61/92/86/823619286.db2.gz UKGISOXFQRAHRB-UHFFFAOYSA-N 1 0 380.536 4.346 20 0 GIADRO COCCN(C)c1ccc(C[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)cn1 ZINC000190881332 823619290 /nfs/dbraw/zinc/61/92/90/823619290.db2.gz LJZAYHABPPFRGU-HSZRJFAPSA-N 1 0 379.479 4.183 20 0 GIADRO CCCn1c(C(=O)N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc2ccccc21 ZINC000190884003 823619509 /nfs/dbraw/zinc/61/95/09/823619509.db2.gz HUKAFEVCHQKQGT-RTBURBONSA-N 1 0 397.563 4.013 20 0 GIADRO C[C@H]([NH2+][C@H](CO)[C@@H]1CCCOC1)c1ncc(-c2ccc(Cl)cc2Cl)o1 ZINC000412000726 823620232 /nfs/dbraw/zinc/62/02/32/823620232.db2.gz ZHPBTILPZLTWFX-HWWQOWPSSA-N 1 0 385.291 4.087 20 0 GIADRO OCC1([C@@H]([NH2+]Cc2ccc(-c3ncco3)cc2F)c2ccccc2)CCOCC1 ZINC000412010978 823622436 /nfs/dbraw/zinc/62/24/36/823622436.db2.gz NHSFQACEVJWDGI-NRFANRHFSA-N 1 0 396.462 4.101 20 0 GIADRO OCC1([C@@H]([NH2+]Cc2ccc(Br)cc2)c2ccccc2)CCOCC1 ZINC000412012421 823622634 /nfs/dbraw/zinc/62/26/34/823622634.db2.gz XQMHSYLHCURSHT-IBGZPJMESA-N 1 0 390.321 4.069 20 0 GIADRO O=C(CC[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1)N1CCCc2ccccc21 ZINC000412013933 823622675 /nfs/dbraw/zinc/62/26/75/823622675.db2.gz PMPMYPWOSFQCIR-DEOSSOPVSA-N 1 0 390.527 4.210 20 0 GIADRO CN1C(=O)c2ccc(Cl)cc2NC12CC[NH+](CCc1ccc(F)cc1)CC2 ZINC000124750002 823623245 /nfs/dbraw/zinc/62/32/45/823623245.db2.gz YYBURPAIZMSFKH-UHFFFAOYSA-N 1 0 387.886 4.011 20 0 GIADRO O=C(CC[NH2+]Cc1cc(Br)c(Cl)s1)N1CCCCCC1 ZINC000190912282 823623282 /nfs/dbraw/zinc/62/32/82/823623282.db2.gz MUJOHZZZUURJAO-UHFFFAOYSA-N 1 0 379.751 4.046 20 0 GIADRO O=C1CCCN1[C@@H]1CCC[N@@H+]([C@H]2CCCc3ccc(Br)cc32)CC1 ZINC000412057015 823624589 /nfs/dbraw/zinc/62/45/89/823624589.db2.gz PYJJLBWTOZRPRZ-MJGOQNOKSA-N 1 0 391.353 4.303 20 0 GIADRO Fc1ccc(C2([NH2+]Cc3ccc(Oc4cnccn4)cc3)CCOCC2)c(F)c1 ZINC000124771453 823624890 /nfs/dbraw/zinc/62/48/90/823624890.db2.gz BEHZKBCXESCEIV-UHFFFAOYSA-N 1 0 397.425 4.343 20 0 GIADRO O=C1CCCN1[C@H]1CCC[N@H+](Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000412059393 823624958 /nfs/dbraw/zinc/62/49/58/823624958.db2.gz XCMSAPRVIOSIEL-QFIPXVFZSA-N 1 0 378.516 4.243 20 0 GIADRO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cc(-c2ccccc2F)on1 ZINC000062230285 823625066 /nfs/dbraw/zinc/62/50/66/823625066.db2.gz HUPBSGNAYUCHPO-GOSISDBHSA-N 1 0 393.462 4.123 20 0 GIADRO O=C(CCC(=O)c1ccc(Cl)cc1)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000062231544 823625482 /nfs/dbraw/zinc/62/54/82/823625482.db2.gz JBKVQUQSSFDBLV-IBGZPJMESA-N 1 0 398.934 4.331 20 0 GIADRO C[C@H]([NH2+]C[C@@H](c1ccc(F)cc1)N(C)C)c1ccc(OCc2nccn2C)cc1 ZINC000124791290 823626472 /nfs/dbraw/zinc/62/64/72/823626472.db2.gz ATQVAKYYSXNNTQ-JTSKRJEESA-N 1 0 396.510 4.092 20 0 GIADRO Cc1nn(Cc2ccccc2Cl)c(Cl)c1C[NH2+]C[C@H](C)Cn1ccnc1 ZINC000062254470 823626765 /nfs/dbraw/zinc/62/67/65/823626765.db2.gz UGVNISCWIQDDBK-AWEZNQCLSA-N 1 0 392.334 4.169 20 0 GIADRO CNC(=O)C1CCC([NH2+]Cc2ccc(-c3ccc(C(F)(F)F)cc3)o2)CC1 ZINC000062259201 823626932 /nfs/dbraw/zinc/62/69/32/823626932.db2.gz CJHWNWIRTPSONC-UHFFFAOYSA-N 1 0 380.410 4.360 20 0 GIADRO CC(C)(CNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)c1ccc(F)cc1Cl ZINC000412112157 823627145 /nfs/dbraw/zinc/62/71/45/823627145.db2.gz GMDUPEDNEXBANX-MRXNPFEDSA-N 1 0 398.975 4.090 20 0 GIADRO COC[C@H]([NH2+][C@H]1CCC[C@H](C(=O)NC(C)C)C1)c1cccc(C(F)(F)F)c1 ZINC000124810211 823627894 /nfs/dbraw/zinc/62/78/94/823627894.db2.gz HAPTXALCJYRCCQ-SZMVWBNQSA-N 1 0 386.458 4.066 20 0 GIADRO CC(C)CN(Cc1ccccc1F)C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412123422 823627939 /nfs/dbraw/zinc/62/79/39/823627939.db2.gz JFGJTLIEMQIFSB-LJQANCHMSA-N 1 0 378.557 4.028 20 0 GIADRO CC1CCN(c2cccc(NC(=O)C3CC[NH+]([C@@H]4CCSC4)CC3)c2)CC1 ZINC000412126906 823628311 /nfs/dbraw/zinc/62/83/11/823628311.db2.gz PUWOIPKZEAKMIP-OAQYLSRUSA-N 1 0 387.593 4.079 20 0 GIADRO COc1cc(Cl)c(F)c(C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1 ZINC000412128394 823628339 /nfs/dbraw/zinc/62/83/39/823628339.db2.gz JBKBWCSNCQDIHV-AWEZNQCLSA-N 1 0 390.886 4.443 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3c(C)cc(C)cc3C)C2=O)cc1OC ZINC000190947108 823628753 /nfs/dbraw/zinc/62/87/53/823628753.db2.gz NRTRVVZVNZPNSJ-MJGOQNOKSA-N 1 0 382.504 4.085 20 0 GIADRO O=C(c1ccc(Cl)cc1F)N1CCN(Cc2ccc(C(F)F)cc2)CC1 ZINC000461394960 823628990 /nfs/dbraw/zinc/62/89/90/823628990.db2.gz RKNJRMFJFJHTGV-UHFFFAOYSA-N 1 0 382.813 4.375 20 0 GIADRO CC(C)[C@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)c1ccccc1Cl ZINC000412137107 823629203 /nfs/dbraw/zinc/62/92/03/823629203.db2.gz OLJAUMWDXTUTBK-APWZRJJASA-N 1 0 380.985 4.371 20 0 GIADRO CCC(CC)(C[NH2+]Cc1cnc2nc(C)cc(C)n12)c1ccc(OC)c(OC)c1 ZINC000461407685 823630686 /nfs/dbraw/zinc/63/06/86/823630686.db2.gz LUTWNFTXOKAUKN-UHFFFAOYSA-N 1 0 396.535 4.211 20 0 GIADRO COc1cc(Cl)c(F)c(C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000412157052 823631438 /nfs/dbraw/zinc/63/14/38/823631438.db2.gz PQSARKIEZCNQRY-MRXNPFEDSA-N 1 0 390.886 4.082 20 0 GIADRO Cc1cc(NC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)ccc1N(C)C ZINC000062388958 823631991 /nfs/dbraw/zinc/63/19/91/823631991.db2.gz OTXOVZKUSCTJAP-UHFFFAOYSA-N 1 0 388.943 4.310 20 0 GIADRO COc1ccc([C@H](C)CC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000461421289 823632942 /nfs/dbraw/zinc/63/29/42/823632942.db2.gz HFWYHDGPWLBACF-OIBXWCBGSA-N 1 0 392.543 4.169 20 0 GIADRO O=C(CCc1ccccc1)N1CCC[N@H+](C[C@@H]2CCC3(CCCCC3)O2)CC1 ZINC000190981122 823633876 /nfs/dbraw/zinc/63/38/76/823633876.db2.gz ZOYYQMNEWYQPKA-QFIPXVFZSA-N 1 0 384.564 4.035 20 0 GIADRO C[C@H](Cc1ccc(Cl)cc1)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461425409 823633962 /nfs/dbraw/zinc/63/39/62/823633962.db2.gz IXLRSIDAWBQZBA-COPCDDAFSA-N 1 0 396.962 4.499 20 0 GIADRO CC(C)OCc1cccc(NC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)c1 ZINC000062411487 823633943 /nfs/dbraw/zinc/63/39/43/823633943.db2.gz VYVWHEPQWBEEDV-UHFFFAOYSA-N 1 0 387.499 4.346 20 0 GIADRO O=C([C@@H]1CCC[C@H](C(F)(F)F)C1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461425454 823634034 /nfs/dbraw/zinc/63/40/34/823634034.db2.gz JCCDRVZKHGLUMG-WTGUMLROSA-N 1 0 394.481 4.336 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NCc1nc2ccccc2s1 ZINC000124892664 823634274 /nfs/dbraw/zinc/63/42/74/823634274.db2.gz RZWQPACGTLUXBB-QGZVFWFLSA-N 1 0 394.544 4.102 20 0 GIADRO C[C@H](CC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)c1ccc(F)cc1F ZINC000461426905 823634346 /nfs/dbraw/zinc/63/43/46/823634346.db2.gz JXVUXNCTKRRGMP-HOJAQTOUSA-N 1 0 398.497 4.439 20 0 GIADRO Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)cc1 ZINC000412191067 823634395 /nfs/dbraw/zinc/63/43/95/823634395.db2.gz JFHKVFCCBUIVTA-FSSWDIPSSA-N 1 0 386.605 4.307 20 0 GIADRO COc1cc(C[NH2+][C@H](COc2ccccc2F)c2ccccc2)cc2c1OCO2 ZINC000062422356 823634696 /nfs/dbraw/zinc/63/46/96/823634696.db2.gz UMZFKCUAXSRIJZ-LJQANCHMSA-N 1 0 395.430 4.473 20 0 GIADRO CCC(CC)n1nc(C)cc1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461427802 823634709 /nfs/dbraw/zinc/63/47/09/823634709.db2.gz QRYQSGPIZIOWMT-RTWAWAEBSA-N 1 0 394.563 4.147 20 0 GIADRO COc1ccccc1[C@@H]1C[C@H]1C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000412202820 823635430 /nfs/dbraw/zinc/63/54/30/823635430.db2.gz FFCQLBXLQXSICK-WENLIBGGSA-N 1 0 392.543 4.216 20 0 GIADRO CCSc1cccc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000461431135 823635595 /nfs/dbraw/zinc/63/55/95/823635595.db2.gz QTTIWKRRZMRFJC-SFTDATJTSA-N 1 0 380.557 4.393 20 0 GIADRO CC1(c2ccccc2)CCC(NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC1 ZINC000412211649 823636018 /nfs/dbraw/zinc/63/60/18/823636018.db2.gz SDOGCLKKSORMNO-QKDPSFTKSA-N 1 0 386.605 4.221 20 0 GIADRO CC(C)(C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)c1cccc(F)c1 ZINC000461432894 823636113 /nfs/dbraw/zinc/63/61/13/823636113.db2.gz CKMPKYJGMUUASK-PMACEKPBSA-N 1 0 380.507 4.084 20 0 GIADRO Cc1ccc(C[C@H](C)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000461433242 823636316 /nfs/dbraw/zinc/63/63/16/823636316.db2.gz WIZLSGBIWKUAFD-ZTCOLXNVSA-N 1 0 376.544 4.154 20 0 GIADRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)NCc1cccs1 ZINC000062465067 823636373 /nfs/dbraw/zinc/63/63/73/823636373.db2.gz CYUIKOQWYWDMNL-UHFFFAOYSA-N 1 0 385.455 4.040 20 0 GIADRO CCC(CC)n1nc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1C ZINC000461434301 823636471 /nfs/dbraw/zinc/63/64/71/823636471.db2.gz XWMCNTBNNGKUII-SFTDATJTSA-N 1 0 394.563 4.147 20 0 GIADRO CCn1c(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc2ccccc21 ZINC000461434408 823636657 /nfs/dbraw/zinc/63/66/57/823636657.db2.gz YWAFPWJQOYVQFA-VXKWHMMOSA-N 1 0 387.527 4.255 20 0 GIADRO CC1(C)CC[C@@H](CNC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)c2ccccc21 ZINC000412222354 823636891 /nfs/dbraw/zinc/63/68/91/823636891.db2.gz BXGJPUFOKSKBCG-RBUKOAKNSA-N 1 0 386.605 4.175 20 0 GIADRO C[C@H](C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)c1ccc(F)c(F)c1 ZINC000461436015 823637020 /nfs/dbraw/zinc/63/70/20/823637020.db2.gz MNBXWYOCKZZJLZ-FFZOFVMBSA-N 1 0 384.470 4.049 20 0 GIADRO CCC1(CNC(=O)Cc2cnccc2Cl)CC[NH+](Cc2ccccc2)CC1 ZINC000412223717 823637162 /nfs/dbraw/zinc/63/71/62/823637162.db2.gz YUNILANPLDNDFT-UHFFFAOYSA-N 1 0 385.939 4.086 20 0 GIADRO CC[C@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F)c1ccccc1 ZINC000062475482 823637219 /nfs/dbraw/zinc/63/72/19/823637219.db2.gz BVDPTMKNVKCEAD-QGZVFWFLSA-N 1 0 389.490 4.232 20 0 GIADRO C#CCN(Cc1ccc(F)cc1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000062476435 823637261 /nfs/dbraw/zinc/63/72/61/823637261.db2.gz BMRRZBTVVHGSAF-UHFFFAOYSA-N 1 0 393.506 4.157 20 0 GIADRO O=C(c1ccc(OC2CCC2)cc1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461438338 823637589 /nfs/dbraw/zinc/63/75/89/823637589.db2.gz LEYICNZPFUTKKZ-FCHUYYIVSA-N 1 0 390.527 4.212 20 0 GIADRO O=C(c1cc2ccccc2s1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461439433 823637740 /nfs/dbraw/zinc/63/77/40/823637740.db2.gz RJVMHHUIHGPTOO-UXHICEINSA-N 1 0 376.525 4.495 20 0 GIADRO O=C(C/C=C/c1ccccc1F)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461440397 823638003 /nfs/dbraw/zinc/63/80/03/823638003.db2.gz XXAHEAHOCSKNND-UYSOZINUSA-N 1 0 378.491 4.210 20 0 GIADRO CCn1cc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c2ccccc21 ZINC000461440800 823638121 /nfs/dbraw/zinc/63/81/21/823638121.db2.gz ZQQODTJEDILFBX-LEWJYISDSA-N 1 0 387.527 4.255 20 0 GIADRO CCc1ccc(CNC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)s1 ZINC000062487095 823638421 /nfs/dbraw/zinc/63/84/21/823638421.db2.gz JPPLQTBQSFMSBK-UHFFFAOYSA-N 1 0 379.957 4.237 20 0 GIADRO O=C(N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)C1(c2ccc(Cl)cc2)CC1 ZINC000461441898 823638498 /nfs/dbraw/zinc/63/84/98/823638498.db2.gz DLFIYAPAZQRNLF-WOJBJXKFSA-N 1 0 394.946 4.352 20 0 GIADRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)NCc1ccc(-c2ccccc2)o1 ZINC000062498633 823638763 /nfs/dbraw/zinc/63/87/63/823638763.db2.gz POBDIASDUHLZCE-UHFFFAOYSA-N 1 0 395.478 4.359 20 0 GIADRO Cc1cc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c2ccccc2n1 ZINC000461444539 823638848 /nfs/dbraw/zinc/63/88/48/823638848.db2.gz KZZWHHHSKQOGHQ-LEWJYISDSA-N 1 0 385.511 4.137 20 0 GIADRO CC(C)(C)Oc1c(F)cc(NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)cc1F ZINC000412248781 823639764 /nfs/dbraw/zinc/63/97/64/823639764.db2.gz SATLNFYVKCRYDR-HNNXBMFYSA-N 1 0 398.519 4.298 20 0 GIADRO O=C(CCSCc1ccccc1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461448245 823639853 /nfs/dbraw/zinc/63/98/53/823639853.db2.gz NXMITYHMTDPDAA-PKTZIBPZSA-N 1 0 394.584 4.290 20 0 GIADRO O=C(c1ccccc1OCC1CC1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461448943 823640015 /nfs/dbraw/zinc/64/00/15/823640015.db2.gz WURJRKZYKFHLJL-VXKWHMMOSA-N 1 0 390.527 4.070 20 0 GIADRO Cc1cc(C(F)(F)F)ccc1CNc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000191031926 823640046 /nfs/dbraw/zinc/64/00/46/823640046.db2.gz KVDSBCCLZHQXRS-IBGZPJMESA-N 1 0 391.437 4.076 20 0 GIADRO CC[C@H](C(=O)N[C@H](c1ccc(OC)cc1)c1ccccc1OC)[NH+](CC)CC ZINC000461451294 823640415 /nfs/dbraw/zinc/64/04/15/823640415.db2.gz DDVTWSIHZUGQAZ-IFMALSPDSA-N 1 0 384.520 4.030 20 0 GIADRO O=C(c1cc2ccc(Cl)cc2[nH]1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461453269 823640776 /nfs/dbraw/zinc/64/07/76/823640776.db2.gz ZKPAISRMJCCWGR-RBUKOAKNSA-N 1 0 393.918 4.415 20 0 GIADRO Cc1ccsc1CCCC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461458806 823641926 /nfs/dbraw/zinc/64/19/26/823641926.db2.gz VJFXQMNAQYHIIG-RTWAWAEBSA-N 1 0 382.573 4.360 20 0 GIADRO Cc1ccc(SCC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000461459156 823642045 /nfs/dbraw/zinc/64/20/45/823642045.db2.gz ZSJROERRYOJFPC-SFTDATJTSA-N 1 0 380.557 4.068 20 0 GIADRO Cc1cccnc1C(C)(C)CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000461459480 823642076 /nfs/dbraw/zinc/64/20/76/823642076.db2.gz CAGIZOXUWFKASO-UHFFFAOYSA-N 1 0 379.548 4.086 20 0 GIADRO CN(C)c1cccc(CCC(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c1 ZINC000461468456 823643312 /nfs/dbraw/zinc/64/33/12/823643312.db2.gz KYWHOOAKVPHJNJ-HSZRJFAPSA-N 1 0 393.575 4.104 20 0 GIADRO Cc1ccc(C2(CNC(=O)C3CC[NH+]([C@H]4CCSC4)CC3)CCC2)cc1C ZINC000412290186 823643245 /nfs/dbraw/zinc/64/32/45/823643245.db2.gz OVLRBLBIXYPBCI-NRFANRHFSA-N 1 0 386.605 4.059 20 0 GIADRO Cc1nc(CC(C)C)oc1C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000461467927 823643403 /nfs/dbraw/zinc/64/34/03/823643403.db2.gz WQYVCNRRCCYZJK-HXUWFJFHSA-N 1 0 383.536 4.214 20 0 GIADRO CCc1c(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)[nH]c(C)c1C(C)=O ZINC000461471649 823643735 /nfs/dbraw/zinc/64/37/35/823643735.db2.gz FWGGHFAVKLBNFY-HXUWFJFHSA-N 1 0 395.547 4.120 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)c2nnc(CC(C)(C)C)n2Cc2cccs2)C[C@H]1C ZINC000461476988 823644515 /nfs/dbraw/zinc/64/45/15/823644515.db2.gz FDSNJHRXIXEDAZ-IAGOWNOFSA-N 1 0 389.613 4.286 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)c2nnc(CC(C)(C)C)n2Cc2cccs2)C[C@@H]1C ZINC000461476989 823644563 /nfs/dbraw/zinc/64/45/63/823644563.db2.gz FDSNJHRXIXEDAZ-IRXDYDNUSA-N 1 0 389.613 4.286 20 0 GIADRO O=C([C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1)N1CCC[N@H+](CC2CCC2)CC1 ZINC000412308668 823645082 /nfs/dbraw/zinc/64/50/82/823645082.db2.gz APWPHPICPJHWJO-RBUKOAKNSA-N 1 0 396.453 4.023 20 0 GIADRO O=C([C@@H]1C[C@H]1c1ccccc1C(F)(F)F)N1CCC[N@H+](CC2CCC2)CC1 ZINC000412310635 823645300 /nfs/dbraw/zinc/64/53/00/823645300.db2.gz DOQHBDKEXMXPGA-ZWKOTPCHSA-N 1 0 380.454 4.143 20 0 GIADRO COc1ccc([C@H](C)[NH2+]C[C@@H](c2ccc(C)cc2)N2CCCC2)cc1NC(C)=O ZINC000125015456 823645296 /nfs/dbraw/zinc/64/52/96/823645296.db2.gz RHYPBRDOOYBORI-MBSDFSHPSA-N 1 0 395.547 4.450 20 0 GIADRO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CC=C(c2cccc(Cl)c2)CC1 ZINC000412311439 823645488 /nfs/dbraw/zinc/64/54/88/823645488.db2.gz USWGRRCMSWFXNN-HXUWFJFHSA-N 1 0 390.980 4.173 20 0 GIADRO CCN(CCC[NH+](C)C)C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000191076125 823645612 /nfs/dbraw/zinc/64/56/12/823645612.db2.gz NKQQCWYSVILQLJ-UHFFFAOYSA-N 1 0 383.496 4.136 20 0 GIADRO Cc1ccc(NC(=O)N(C)C)cc1NC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412314265 823645613 /nfs/dbraw/zinc/64/56/13/823645613.db2.gz RXBHUNREECXRNP-UHFFFAOYSA-N 1 0 394.519 4.327 20 0 GIADRO Cn1ccnc1[C@@H](O)C1CC[NH+](CCCCc2cccc(C(F)(F)F)c2)CC1 ZINC000191078715 823645806 /nfs/dbraw/zinc/64/58/06/823645806.db2.gz HZNZTZDWPQIEHK-IBGZPJMESA-N 1 0 395.469 4.207 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000191084221 823646629 /nfs/dbraw/zinc/64/66/29/823646629.db2.gz MNDDLPPEVJSJJC-HZPDHXFCSA-N 1 0 385.474 4.182 20 0 GIADRO COc1cccc(CN(CC[NH+](C)C)C(=O)Nc2cccc(Cl)c2C)c1 ZINC000191089768 823647472 /nfs/dbraw/zinc/64/74/72/823647472.db2.gz HSPPFVLNBIVPAI-UHFFFAOYSA-N 1 0 375.900 4.253 20 0 GIADRO O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N(Cc1ccccc1Cl)CC1CC1 ZINC000412335961 823647930 /nfs/dbraw/zinc/64/79/30/823647930.db2.gz OFUSXWZOYQXLHG-IBGZPJMESA-N 1 0 392.996 4.296 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)CSCc1cscn1)c1ccccc1Cl ZINC000125062819 823649161 /nfs/dbraw/zinc/64/91/61/823649161.db2.gz ZSGMMDBEHIQEJL-QGZVFWFLSA-N 1 0 397.997 4.229 20 0 GIADRO O=C([C@@H]1C[C@@]1(F)c1ccccc1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000412363975 823650022 /nfs/dbraw/zinc/65/00/22/823650022.db2.gz PHXCOLCNNKMNEU-WIOPSUGQSA-N 1 0 392.518 4.386 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)N[C@H](C)COc2ccc(C)cc2)cc1 ZINC000063071625 823650298 /nfs/dbraw/zinc/65/02/98/823650298.db2.gz ZHBYHRJFZHOXKR-LJQANCHMSA-N 1 0 383.536 4.104 20 0 GIADRO COc1cccc(O[C@H](C)C[NH2+][C@H](C)c2ccc(OCc3nccn3C)cc2)c1 ZINC000125081140 823650374 /nfs/dbraw/zinc/65/03/74/823650374.db2.gz MAACRQFGFUILIQ-QZTJIDSGSA-N 1 0 395.503 4.126 20 0 GIADRO CCOc1ccc(SCC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000063081047 823650482 /nfs/dbraw/zinc/65/04/82/823650482.db2.gz WHWQHWNNDXMYHZ-UHFFFAOYSA-N 1 0 398.572 4.206 20 0 GIADRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)c1nc(Cl)ccc1Cl ZINC000063080840 823650511 /nfs/dbraw/zinc/65/05/11/823650511.db2.gz ZRLWOUBSZGIUOO-UHFFFAOYSA-N 1 0 378.303 4.030 20 0 GIADRO Cc1ccsc1-c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@H]2C)n1Cc1cccs1 ZINC000461505872 823650548 /nfs/dbraw/zinc/65/05/48/823650548.db2.gz GUKRVTNCSGCTIK-CVEARBPZSA-N 1 0 399.589 4.098 20 0 GIADRO COc1ccc([C@@H](C[NH2+][C@H](C)c2csc(Cl)c2)N2CCOCC2)cc1 ZINC000191115777 823650794 /nfs/dbraw/zinc/65/07/94/823650794.db2.gz PMQBETXPAFJAJK-RDTXWAMCSA-N 1 0 380.941 4.134 20 0 GIADRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC([C@@H]3CCCO3)CC2)c1 ZINC000191121189 823651244 /nfs/dbraw/zinc/65/12/44/823651244.db2.gz JUIDAIHLYMSUAT-DEOSSOPVSA-N 1 0 392.543 4.350 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)c2cccnc2SC(F)(F)F)c1 ZINC000063094366 823651526 /nfs/dbraw/zinc/65/15/26/823651526.db2.gz RWPDQUJSJDOESD-UHFFFAOYSA-N 1 0 397.466 4.465 20 0 GIADRO C[NH+]1CCC(NC(=S)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)CC1 ZINC000063143689 823652493 /nfs/dbraw/zinc/65/24/93/823652493.db2.gz PXWQQPGXZAIRHW-UHFFFAOYSA-N 1 0 398.557 4.050 20 0 GIADRO S=C(NC1CC[NH+](Cc2ccccc2)CC1)NC12CC3CC(CC(C3)C1)C2 ZINC000063131066 823652507 /nfs/dbraw/zinc/65/25/07/823652507.db2.gz OPIGWPRVHDSHPH-UHFFFAOYSA-N 1 0 383.605 4.084 20 0 GIADRO FC(F)Oc1cccc(NC(=S)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000063149164 823653000 /nfs/dbraw/zinc/65/30/00/823653000.db2.gz IVMSEBJRXZDCPK-UHFFFAOYSA-N 1 0 391.487 4.239 20 0 GIADRO C=CCN(Cc1ccccc1)C(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000063147972 823653017 /nfs/dbraw/zinc/65/30/17/823653017.db2.gz FRDQOBIYMRLJPJ-UHFFFAOYSA-N 1 0 379.573 4.214 20 0 GIADRO C[C@@H](c1ccccc1F)N(C)C(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000063149718 823653097 /nfs/dbraw/zinc/65/30/97/823653097.db2.gz IYEYPCMZKVULEA-KRWDZBQOSA-N 1 0 385.552 4.358 20 0 GIADRO O=C(N[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412416914 823654349 /nfs/dbraw/zinc/65/43/49/823654349.db2.gz YKKOYAUUCZSZNW-RLLQIKCJSA-N 1 0 392.996 4.310 20 0 GIADRO C[C@H]1CC(O)C[C@H](C)[NH+]1Cc1csc(-c2ccc(Br)cc2)n1 ZINC000191160185 823654860 /nfs/dbraw/zinc/65/48/60/823654860.db2.gz FTTZWFMCENSWHV-RYUDHWBXSA-N 1 0 381.339 4.306 20 0 GIADRO Cc1ccc(C)c(-n2cnc3cc(C(=O)N(C)[C@@H]4CC[N@@H+](C)C[C@@H]4C)ccc32)c1 ZINC000191159889 823654979 /nfs/dbraw/zinc/65/49/79/823654979.db2.gz MZKDNOMIMRYNTJ-GHTZIAJQSA-N 1 0 390.531 4.055 20 0 GIADRO Cc1cccc(Cl)c1NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC000191177316 823656699 /nfs/dbraw/zinc/65/66/99/823656699.db2.gz SHVYFMDLZUVXPF-HZPDHXFCSA-N 1 0 395.931 4.012 20 0 GIADRO Cc1cc([C@@H](C)[NH2+]Cc2ccccc2CS(=O)(=O)NC(C)C)c(C)s1 ZINC000125194581 823658233 /nfs/dbraw/zinc/65/82/33/823658233.db2.gz GMHZVUYMJJNINE-OAHLLOKOSA-N 1 0 380.579 4.044 20 0 GIADRO C[C@@H]([NH2+]C1CCN([C@H](C)c2ccccc2)CC1)c1ccc(-n2cncn2)cc1 ZINC000125196337 823658511 /nfs/dbraw/zinc/65/85/11/823658511.db2.gz NPRKQSRCJLRDTB-RTBURBONSA-N 1 0 375.520 4.144 20 0 GIADRO C[N@@H+]1CC[C@H](CSc2nnc(-c3cccnc3)n2-c2ccc(Cl)cc2)C1 ZINC000191199181 823658570 /nfs/dbraw/zinc/65/85/70/823658570.db2.gz PXNGNZNHDSZUGK-AWEZNQCLSA-N 1 0 385.924 4.027 20 0 GIADRO Cc1c([C@H](C)[NH2+]Cc2cc3c(c(Br)c2)OCO3)cnn1C(C)C ZINC000191212416 823659543 /nfs/dbraw/zinc/65/95/43/823659543.db2.gz AZLSULGWEBFHMY-NSHDSACASA-N 1 0 380.286 4.114 20 0 GIADRO Cc1c([C@@H](C)[NH2+]Cc2cc3c(c(Br)c2)OCO3)cnn1C(C)(C)C ZINC000191212437 823659589 /nfs/dbraw/zinc/65/95/89/823659589.db2.gz WZCBKCCQJOFDNG-LLVKDONJSA-N 1 0 394.313 4.289 20 0 GIADRO COC(=O)[C@@H](C)c1cccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000412535083 823659879 /nfs/dbraw/zinc/65/98/79/823659879.db2.gz AICJWVDLQSFUFE-KRWDZBQOSA-N 1 0 380.488 4.201 20 0 GIADRO CC[NH+]1CCC(N(C)Cc2cn(C(C)(C)C)nc2-c2cccc(OC)c2)CC1 ZINC000125218524 823659882 /nfs/dbraw/zinc/65/98/82/823659882.db2.gz FPHOYSDDYRXUTH-UHFFFAOYSA-N 1 0 384.568 4.230 20 0 GIADRO Cc1c([C@@H](C)[NH2+]Cc2ccc(Cn3ccccc3=O)cc2)cnn1C(C)(C)C ZINC000191226502 823661123 /nfs/dbraw/zinc/66/11/23/823661123.db2.gz IYDHLVQPHCWZII-QGZVFWFLSA-N 1 0 378.520 4.007 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)Nc2cccc([C@@H](C)C(=O)OC)c2)cc1)C1CC1 ZINC000412546828 823661182 /nfs/dbraw/zinc/66/11/82/823661182.db2.gz KDCBKYVRSSQJEO-MRXNPFEDSA-N 1 0 380.488 4.200 20 0 GIADRO COc1cc(C(=O)Nc2ccc(C[NH+](C)C)cc2F)ccc1OC1CCCC1 ZINC000412555733 823661914 /nfs/dbraw/zinc/66/19/14/823661914.db2.gz CQGXVAFFBZRMNU-UHFFFAOYSA-N 1 0 386.467 4.470 20 0 GIADRO CC(C)C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(C[NH+](C)C)cc2F)c1 ZINC000412556058 823661972 /nfs/dbraw/zinc/66/19/72/823661972.db2.gz DMWPXXAJPDRCQT-UHFFFAOYSA-N 1 0 391.874 4.388 20 0 GIADRO C[C@H](CC(=O)Nc1ccc(C[NH+](C)C)cc1F)C(=O)c1ccc(Cl)cc1 ZINC000412556311 823662033 /nfs/dbraw/zinc/66/20/33/823662033.db2.gz DZOLAONZJREIHL-CYBMUJFWSA-N 1 0 376.859 4.388 20 0 GIADRO Cc1cccc(C(C)(C)CNC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)c1 ZINC000063321642 823662249 /nfs/dbraw/zinc/66/22/49/823662249.db2.gz AUAFESFMAZWDQM-UHFFFAOYSA-N 1 0 394.563 4.155 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)c1cc(Cl)cc(Cl)c1 ZINC000412560905 823662394 /nfs/dbraw/zinc/66/23/94/823662394.db2.gz CJAMUFYUJUIVAF-UHFFFAOYSA-N 1 0 383.275 4.195 20 0 GIADRO CCOc1cccc([C@H](C)[NH2+][C@H](C)c2cccc(N3CCCS3(=O)=O)c2)c1 ZINC000125262902 823663336 /nfs/dbraw/zinc/66/33/36/823663336.db2.gz TWNYGBUXSYABCQ-SJORKVTESA-N 1 0 388.533 4.037 20 0 GIADRO O=C(NC1CC[NH+](CC2CCCC2)CC1)N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000063332476 823663466 /nfs/dbraw/zinc/66/34/66/823663466.db2.gz FIXQHKXMYLPQJM-JOCHJYFZSA-N 1 0 387.543 4.197 20 0 GIADRO COc1ccc([C@H](NC(=O)NC2CC[NH+](CC3CCCC3)CC2)C(C)C)cc1 ZINC000063333362 823663472 /nfs/dbraw/zinc/66/34/72/823663472.db2.gz FJFTWANPYXNMER-JOCHJYFZSA-N 1 0 387.568 4.346 20 0 GIADRO COc1ccc(OC(F)(F)F)c(C(=O)Nc2ccc(C[NH+](C)C)cc2F)c1 ZINC000412579241 823664036 /nfs/dbraw/zinc/66/40/36/823664036.db2.gz PNXGTTZANWTLME-UHFFFAOYSA-N 1 0 386.345 4.047 20 0 GIADRO Cc1ccc(-n2ncc(C(=O)N3CC[C@@H](C)[C@@H](n4ccnc4)C3)c2C(C)C)cc1 ZINC000125291875 823665366 /nfs/dbraw/zinc/66/53/66/823665366.db2.gz WIBVEFGIKAWYSZ-NQIIRXRSSA-N 1 0 391.519 4.224 20 0 GIADRO COc1cc(Cl)c(Cl)cc1NC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000191275777 823666239 /nfs/dbraw/zinc/66/62/39/823666239.db2.gz CFLZKSKERUJHRN-CYBMUJFWSA-N 1 0 386.323 4.342 20 0 GIADRO O=C(Nc1ccc(N2CCCC2)c(F)c1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000063392709 823667304 /nfs/dbraw/zinc/66/73/04/823667304.db2.gz ZORJWHDQINWCHC-UHFFFAOYSA-N 1 0 388.531 4.202 20 0 GIADRO CCCN(CCC[NH+](C)C)C(=O)Nc1cccc(Cn2ccnc2C(C)C)c1 ZINC000191288293 823667822 /nfs/dbraw/zinc/66/78/22/823667822.db2.gz TVKBUUMCEJCRLX-UHFFFAOYSA-N 1 0 385.556 4.250 20 0 GIADRO Fc1cccnc1N1CC[C@@H]([NH2+]Cc2cc(Br)c(Cl)s2)C1 ZINC000191308675 823669926 /nfs/dbraw/zinc/66/99/26/823669926.db2.gz MXWCLHGLQKSKES-SECBINFHSA-N 1 0 390.709 4.067 20 0 GIADRO C[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccc(NC(=O)c3cccs3)cc2)CC1 ZINC000125354457 823670163 /nfs/dbraw/zinc/67/01/63/823670163.db2.gz BPIDAIWKNKYRJB-INIZCTEOSA-N 1 0 397.544 4.089 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H]1CCCc2c(O)cccc21 ZINC000191313997 823670620 /nfs/dbraw/zinc/67/06/20/823670620.db2.gz NBYXGLISYUKZIR-NRFANRHFSA-N 1 0 381.520 4.063 20 0 GIADRO CN(C(=O)N[C@@H]1CCCc2c(O)cccc21)C1CC[NH+](Cc2ccccc2)CC1 ZINC000191315001 823670639 /nfs/dbraw/zinc/67/06/39/823670639.db2.gz DPRBRWLGAORJKT-JOCHJYFZSA-N 1 0 393.531 4.076 20 0 GIADRO CC[C@H]1Oc2cc([C@H](C)[NH2+][C@@H](C)c3cnn(C(C)(C)C)c3C)ccc2NC1=O ZINC000191324295 823671818 /nfs/dbraw/zinc/67/18/18/823671818.db2.gz FGWUKAWIKXONPN-CKFHNAJUSA-N 1 0 384.524 4.468 20 0 GIADRO COc1ccc2c(C[NH2+][C@H](C)c3ccc(OC(F)F)cc3)cc(=O)oc2c1 ZINC000125385586 823672292 /nfs/dbraw/zinc/67/22/92/823672292.db2.gz IRKDJEQRONZFHV-GFCCVEGCSA-N 1 0 375.371 4.254 20 0 GIADRO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC(c2ccccc2)CC1 ZINC000063464356 823673228 /nfs/dbraw/zinc/67/32/28/823673228.db2.gz ROWZMQCVTJYOSS-QFIPXVFZSA-N 1 0 391.559 4.488 20 0 GIADRO C[NH+](C)CCOc1ccccc1C(=O)N1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000412676262 823673822 /nfs/dbraw/zinc/67/38/22/823673822.db2.gz OVUUCAREOBCODU-OAQYLSRUSA-N 1 0 378.516 4.037 20 0 GIADRO Cc1cccc(C[N@@H+](Cc2ccccn2)C[C@@H](O)COCc2cccs2)c1 ZINC000125419518 823674604 /nfs/dbraw/zinc/67/46/04/823674604.db2.gz BTLYNYMTHLCMAQ-OAQYLSRUSA-N 1 0 382.529 4.031 20 0 GIADRO CC(C)CCc1noc(CN2CC[NH+](Cc3cccc4ccccc43)CC2)n1 ZINC000063483061 823675299 /nfs/dbraw/zinc/67/52/99/823675299.db2.gz JFCMYGCAGDTXFY-UHFFFAOYSA-N 1 0 378.520 4.129 20 0 GIADRO Cc1nc2cc(F)ccc2cc1C(=O)N(CCCc1ccccc1)CC[NH+](C)C ZINC000063485851 823675526 /nfs/dbraw/zinc/67/55/26/823675526.db2.gz RHMFHMVVYBBDMD-UHFFFAOYSA-N 1 0 393.506 4.319 20 0 GIADRO C[C@H]1CN(C(=O)CCCCC(=O)c2ccccc2)CCN1Cc1ccccc1 ZINC000412693357 823675737 /nfs/dbraw/zinc/67/57/37/823675737.db2.gz FRNGBXRCLGUGEE-FQEVSTJZSA-N 1 0 378.516 4.163 20 0 GIADRO Cc1c([C@H](C)[NH2+]C[C@H](c2cccc(Cl)c2)N2CCOCC2)cnn1C(C)C ZINC000191355156 823675714 /nfs/dbraw/zinc/67/57/14/823675714.db2.gz HBBKFQUYAXEKQH-HRAATJIYSA-N 1 0 390.959 4.150 20 0 GIADRO CC[C@H](C(=O)Nc1cc(Cl)ccc1C(=O)N1CCCCC1)[NH+](CC)CC ZINC000461656050 823676017 /nfs/dbraw/zinc/67/60/17/823676017.db2.gz AQABJIXSWBDTLN-GOSISDBHSA-N 1 0 379.932 4.025 20 0 GIADRO Cc1csc(C(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)c1Br ZINC000191361203 823676443 /nfs/dbraw/zinc/67/64/43/823676443.db2.gz VCGSTTSZXHWQJV-UHFFFAOYSA-N 1 0 397.338 4.149 20 0 GIADRO Cc1cc(C(=O)C[N@@H+](C)[C@@H](C)Cc2ccc(O)cc2)c(C)n1CC(F)(F)F ZINC000125442670 823676512 /nfs/dbraw/zinc/67/65/12/823676512.db2.gz VBXXVPIZMNHOSE-ZDUSSCGKSA-N 1 0 382.426 4.119 20 0 GIADRO CC[C@H](C(=O)N(CC)[C@H](c1cccnc1)c1ccc(F)c(F)c1)[NH+](CC)CC ZINC000461664232 823677312 /nfs/dbraw/zinc/67/73/12/823677312.db2.gz RDRKHQBWUGXZRS-RTWAWAEBSA-N 1 0 389.490 4.418 20 0 GIADRO Cc1ccc(N2CCC[C@H]([NH2+][C@@H](C)c3ccc(N4CCOC4=O)cc3)C2)cc1 ZINC000125453238 823677392 /nfs/dbraw/zinc/67/73/92/823677392.db2.gz JNZVZINMCDNHCD-ICSRJNTNSA-N 1 0 379.504 4.271 20 0 GIADRO C[C@H](NC(=O)CCc1nc2ccccc2n1-c1ccccc1)C(C)(C)C[NH+](C)C ZINC000461665612 823677482 /nfs/dbraw/zinc/67/74/82/823677482.db2.gz YQMSFOHEEIRZBB-SFHVURJKSA-N 1 0 392.547 4.051 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1nc2ccccc2s1 ZINC000125456022 823677547 /nfs/dbraw/zinc/67/75/47/823677547.db2.gz DXVYUEDTKWIOQF-GOSISDBHSA-N 1 0 379.529 4.281 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000191369463 823677640 /nfs/dbraw/zinc/67/76/40/823677640.db2.gz CPJXHSXZBSZSHZ-TZIWHRDSSA-N 1 0 382.504 4.288 20 0 GIADRO C[NH+](C)Cc1c2ccccc2oc1C(=O)NCCc1ccccc1OC(F)F ZINC000191369751 823677648 /nfs/dbraw/zinc/67/76/48/823677648.db2.gz LFYVGJCHBDKDJP-UHFFFAOYSA-N 1 0 388.414 4.068 20 0 GIADRO COc1cc(OC)cc(OCCC[NH2+][C@H](C)c2cnn(C(C)(C)C)c2C)c1 ZINC000191378226 823678401 /nfs/dbraw/zinc/67/84/01/823678401.db2.gz XMTMHDRNGWDJDK-OAHLLOKOSA-N 1 0 375.513 4.083 20 0 GIADRO COc1ccc(Cl)cc1C1(C[NH2+]Cc2c(F)cccc2F)CCOCC1 ZINC000063558712 823679162 /nfs/dbraw/zinc/67/91/62/823679162.db2.gz ICPXWPIIKQEVEG-UHFFFAOYSA-N 1 0 381.850 4.465 20 0 GIADRO COc1cccc(C[NH2+]CC2(c3cc(Cl)ccc3OC)CCOCC2)c1 ZINC000063558730 823679274 /nfs/dbraw/zinc/67/92/74/823679274.db2.gz KXCGZAVAADVOGD-UHFFFAOYSA-N 1 0 375.896 4.195 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3csc(CC(C)C)n3)c(C)c2)CC1 ZINC000063571556 823680268 /nfs/dbraw/zinc/68/02/68/823680268.db2.gz VKTLNXJCSOXROQ-UHFFFAOYSA-N 1 0 386.565 4.044 20 0 GIADRO COc1ccc2oc(C[NH2+][C@@H](C)c3cc(F)ccc3N3CCC(O)CC3)cc2c1 ZINC000125490065 823680370 /nfs/dbraw/zinc/68/03/70/823680370.db2.gz SZUAAGICKYTWQV-HNNXBMFYSA-N 1 0 398.478 4.392 20 0 GIADRO C[C@H]([NH2+]C[C@]1(CCO)CCOC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000125494755 823680658 /nfs/dbraw/zinc/68/06/58/823680658.db2.gz QWBDJQOZMVZTFQ-NHYWBVRUSA-N 1 0 385.348 4.164 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C1CCOCC1 ZINC000125505723 823681421 /nfs/dbraw/zinc/68/14/21/823681421.db2.gz OZUCYULWEGWRNR-MNOVXSKESA-N 1 0 378.822 4.091 20 0 GIADRO Cc1nnsc1C(=O)N(CCC[NH+](C)C)C(c1ccccc1)c1ccccc1 ZINC000191405036 823681497 /nfs/dbraw/zinc/68/14/97/823681497.db2.gz HMTKABYFJTZNIH-UHFFFAOYSA-N 1 0 394.544 4.030 20 0 GIADRO CC(C)C1(c2ccccc2)CN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000412797890 823683658 /nfs/dbraw/zinc/68/36/58/823683658.db2.gz UUJXLIALEOBOMG-UHFFFAOYSA-N 1 0 376.544 4.335 20 0 GIADRO Cc1cc(-c2cc(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c3c(C)noc3n2)c(C)o1 ZINC000461712552 823686008 /nfs/dbraw/zinc/68/60/08/823686008.db2.gz PGQLJPDUUZQRBA-HNNXBMFYSA-N 1 0 398.507 4.114 20 0 GIADRO Cc1ccc(N2CCC[C@@H]([NH2+]C3CCC4(CC3)c3ccccc3NC4=O)C2)cc1 ZINC000125581083 823687193 /nfs/dbraw/zinc/68/71/93/823687193.db2.gz BVHJUYUPEBCDHR-ABGUIGEDSA-N 1 0 389.543 4.386 20 0 GIADRO C[C@@H]([NH2+]Cc1nccn1-c1ccccc1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000191456186 823687183 /nfs/dbraw/zinc/68/71/83/823687183.db2.gz JBPCNRKWDRLVRH-DVECYGJZSA-N 1 0 391.515 4.287 20 0 GIADRO COc1cc(C)c([C@H](C)[NH2+]C[C@@H](O)c2ccc(OC(F)(F)F)cc2)cc1OC ZINC000125583415 823687403 /nfs/dbraw/zinc/68/74/03/823687403.db2.gz WFXKWMCLFAQNMW-SUMWQHHRSA-N 1 0 399.409 4.295 20 0 GIADRO Cc1c([C@@H](C)[NH2+][C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)cnn1C(C)C ZINC000191459831 823687637 /nfs/dbraw/zinc/68/76/37/823687637.db2.gz OHIGVPTWNYJQPE-KZULUSFZSA-N 1 0 378.879 4.021 20 0 GIADRO COC[C@H](Cc1ccccc1)[N@H+](C)CCC(=O)Nc1ccccc1C(F)(F)F ZINC000191482071 823689538 /nfs/dbraw/zinc/68/95/38/823689538.db2.gz SJBMALYETZNPFI-KRWDZBQOSA-N 1 0 394.437 4.224 20 0 GIADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)CSCc2ccc(Cl)cc2Cl)C1 ZINC000063705557 823690104 /nfs/dbraw/zinc/69/01/04/823690104.db2.gz CPOLLJHHDBTSLH-CYBMUJFWSA-N 1 0 375.365 4.073 20 0 GIADRO O[C@H](C[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1)c1ccccc1 ZINC000191486549 823690164 /nfs/dbraw/zinc/69/01/64/823690164.db2.gz IVFCRWSEZHEYTM-UXHICEINSA-N 1 0 390.321 4.240 20 0 GIADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)CSCc2ccc(Cl)cc2Cl)C1 ZINC000063710825 823690348 /nfs/dbraw/zinc/69/03/48/823690348.db2.gz QCASCJZZPCKQBA-CQSZACIVSA-N 1 0 389.392 4.463 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCCN(c2cccc(F)c2)C1)c1cccc(N2CCOC2=O)c1 ZINC000125621371 823690859 /nfs/dbraw/zinc/69/08/59/823690859.db2.gz MGWOGDXGLFCVHL-QFBILLFUSA-N 1 0 383.467 4.102 20 0 GIADRO COc1ccc2c(c1)[C@@H]([NH2+]CCc1nccn1Cc1ccccc1)CCS2 ZINC000191492953 823690939 /nfs/dbraw/zinc/69/09/39/823690939.db2.gz VLTOXUPWXCFZSI-FQEVSTJZSA-N 1 0 379.529 4.309 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1CN1CCCC1=O)CCS2 ZINC000191493768 823690957 /nfs/dbraw/zinc/69/09/57/823690957.db2.gz VXKKZVAQKQRHIE-HXUWFJFHSA-N 1 0 382.529 4.144 20 0 GIADRO Cc1n[nH]cc1CCC[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000191493028 823690976 /nfs/dbraw/zinc/69/09/76/823690976.db2.gz IYYUEUSLCOVDSN-IBGZPJMESA-N 1 0 392.341 4.171 20 0 GIADRO CCc1nc2c(s1)[C@@H]([NH2+]C[C@@H](O)c1ccc(OC(F)(F)F)cc1)CCC2 ZINC000125628593 823691345 /nfs/dbraw/zinc/69/13/45/823691345.db2.gz MOAREQSFZIKTBL-DZGCQCFKSA-N 1 0 386.439 4.305 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+][C@H](CN1CCCC1=O)c1ccccc1)CCS2 ZINC000191496975 823691596 /nfs/dbraw/zinc/69/15/96/823691596.db2.gz FFGAPPQMHWOJFU-WOJBJXKFSA-N 1 0 382.529 4.185 20 0 GIADRO Cc1ccc(C)c(C(=O)c2ccccc2C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)c1 ZINC000063723446 823691703 /nfs/dbraw/zinc/69/17/03/823691703.db2.gz KVMFOVVWCIVRIB-UHFFFAOYSA-N 1 0 392.543 4.481 20 0 GIADRO Cc1nc2cc(C(=O)N3CCC[N@@H+](C(C)(C)C)CC3)ccc2n1-c1ccccc1 ZINC000063725030 823691956 /nfs/dbraw/zinc/69/19/56/823691956.db2.gz VZBQDELOPBTPII-UHFFFAOYSA-N 1 0 390.531 4.280 20 0 GIADRO CC(C)(C)[N@@H+]1CCCN(C(=O)Cc2csc(-c3ccccc3Cl)n2)CC1 ZINC000063725048 823691998 /nfs/dbraw/zinc/69/19/98/823691998.db2.gz JYGPSRDNZHZGDE-UHFFFAOYSA-N 1 0 391.968 4.339 20 0 GIADRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2cc(-c3ccco3)nc3ccccc32)CC1 ZINC000063726424 823692085 /nfs/dbraw/zinc/69/20/85/823692085.db2.gz SKJJOEBYBYGGSV-UHFFFAOYSA-N 1 0 377.488 4.441 20 0 GIADRO CC(C)(C)[N@@H+]1CCCN(C(=O)COc2cc(Cl)c(Cl)cc2Cl)CC1 ZINC000063726281 823692193 /nfs/dbraw/zinc/69/21/93/823692193.db2.gz QYGWPQLBENALQN-UHFFFAOYSA-N 1 0 393.742 4.358 20 0 GIADRO C[C@H](C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)c1cccc(Br)c1 ZINC000461757424 823692452 /nfs/dbraw/zinc/69/24/52/823692452.db2.gz RBYRYXSZAOTVIY-SCLBCKFNSA-N 1 0 393.300 4.111 20 0 GIADRO CC(=O)N1CC[C@H]([NH2+][C@H](C)c2cnn(C(C)(C)C)c2C)c2ccc(F)cc2C1 ZINC000191503585 823692524 /nfs/dbraw/zinc/69/25/24/823692524.db2.gz WSXKNKQIBGFBQJ-SZNDQCEHSA-N 1 0 386.515 4.230 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)c1ccc(OC(F)(F)F)cc1)c1ccc(-n2ccnc2)cc1 ZINC000125646116 823692935 /nfs/dbraw/zinc/69/29/35/823692935.db2.gz PWJFFNZOTQJPDA-LIRRHRJNSA-N 1 0 391.393 4.155 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCN(c3ccccc3OC)C1)CCS2 ZINC000191506707 823693067 /nfs/dbraw/zinc/69/30/67/823693067.db2.gz ZWCTXGWZSSQQED-QFBILLFUSA-N 1 0 384.545 4.357 20 0 GIADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NC[C@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000461766758 823693366 /nfs/dbraw/zinc/69/33/66/823693366.db2.gz XYADHWNHVYTIFT-JFJDKTSWSA-N 1 0 399.579 4.203 20 0 GIADRO CCc1c(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)cnn1-c1ccc(C)cc1 ZINC000063758075 823693775 /nfs/dbraw/zinc/69/37/75/823693775.db2.gz URERQAOTVMETGD-IBGZPJMESA-N 1 0 382.552 4.128 20 0 GIADRO CCCOc1ccc(C(=O)N2CCC([NH+](C)C)CC2)c(OCc2ccccc2)c1 ZINC000191512844 823694047 /nfs/dbraw/zinc/69/40/47/823694047.db2.gz ACBTVNULCPEFLG-UHFFFAOYSA-N 1 0 396.531 4.221 20 0 GIADRO CN(CC[N@H+](C)C1CCCCC1)C(=O)C1(c2cccc(Br)c2)CC1 ZINC000063771477 823694560 /nfs/dbraw/zinc/69/45/60/823694560.db2.gz OOJSWFAOOVVRBC-UHFFFAOYSA-N 1 0 393.369 4.204 20 0 GIADRO O[C@H]1CCCC[C@@H]1C[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000191517958 823694608 /nfs/dbraw/zinc/69/46/08/823694608.db2.gz HQQYKNUEFJYBDA-NZSAHSFTSA-N 1 0 382.342 4.058 20 0 GIADRO CCc1cc2c(C[NH2+]CC(C)(C)c3ccc(OC)cc3)cc(=O)oc2cc1O ZINC000063774565 823694923 /nfs/dbraw/zinc/69/49/23/823694923.db2.gz WWKKTMCDEOIXNW-UHFFFAOYSA-N 1 0 381.472 4.137 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)Nc2cccc(OCC(C)C)c2)c1 ZINC000125666569 823694961 /nfs/dbraw/zinc/69/49/61/823694961.db2.gz UOBWDIPSUCSOCH-UHFFFAOYSA-N 1 0 397.519 4.140 20 0 GIADRO COc1ccc(CNC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000063777731 823695236 /nfs/dbraw/zinc/69/52/36/823695236.db2.gz GANBAGNKJPFIBW-UHFFFAOYSA-N 1 0 381.520 4.071 20 0 GIADRO CC(C)(C)CC[NH+]1CCN(C(=O)c2csc(-c3ccccc3F)n2)CC1 ZINC000063784047 823695578 /nfs/dbraw/zinc/69/55/78/823695578.db2.gz LUMLRVGQZBUOEH-UHFFFAOYSA-N 1 0 375.513 4.143 20 0 GIADRO C/C(=C\c1ccccc1Cl)C(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000125674448 823695702 /nfs/dbraw/zinc/69/57/02/823695702.db2.gz LCPSDKLEMHPKFX-ISLYRVAYSA-N 1 0 397.950 4.304 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)NCC(C)(C)c2ccc(OC)cc2)c1 ZINC000063787983 823696032 /nfs/dbraw/zinc/69/60/32/823696032.db2.gz INNWYWGDXLJHPS-UHFFFAOYSA-N 1 0 397.563 4.314 20 0 GIADRO CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCC[C@H]1c1nc2ccccc2n1CC ZINC000461794102 823696227 /nfs/dbraw/zinc/69/62/27/823696227.db2.gz FONWBKUYEZPMHJ-PXNSSMCTSA-N 1 0 385.556 4.023 20 0 GIADRO COc1ccc(C[C@H](C)[NH2+][C@@H](C)c2nc(-c3cccc(F)c3)no2)cc1OC ZINC000191532457 823696515 /nfs/dbraw/zinc/69/65/15/823696515.db2.gz SHSGEXHDZSBDOW-KBPBESRZSA-N 1 0 385.439 4.175 20 0 GIADRO Cc1cccc(C[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)c1Br ZINC000191537544 823697382 /nfs/dbraw/zinc/69/73/82/823697382.db2.gz CWKDSCYTZRGHKX-QFBILLFUSA-N 1 0 388.353 4.153 20 0 GIADRO CC[C@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1cc(Cl)ccc1OC ZINC000125695994 823697414 /nfs/dbraw/zinc/69/74/14/823697414.db2.gz RKOPXWQLXVAQNB-SFHVURJKSA-N 1 0 381.925 4.134 20 0 GIADRO CCOC(=O)N1CCC([NH2+][C@@H]2CCSc3ccc(Br)cc32)CC1 ZINC000125698223 823697819 /nfs/dbraw/zinc/69/78/19/823697819.db2.gz QPGUWQLLRDHOGN-OAHLLOKOSA-N 1 0 399.354 4.197 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)N1CCc2ccccc2C1 ZINC000063799620 823697952 /nfs/dbraw/zinc/69/79/52/823697952.db2.gz YELIQLDPIYHVFY-UHFFFAOYSA-N 1 0 377.532 4.331 20 0 GIADRO OCC1(C[NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)CCCC1 ZINC000191549595 823698599 /nfs/dbraw/zinc/69/85/99/823698599.db2.gz ALXWTGAEHHIJOO-SFHVURJKSA-N 1 0 382.342 4.059 20 0 GIADRO CCOC(=O)c1csc(CC[NH2+][C@H](CC)c2cccc(Br)c2)n1 ZINC000191557298 823699361 /nfs/dbraw/zinc/69/93/61/823699361.db2.gz NZAIGLMMFQIISR-CQSZACIVSA-N 1 0 397.338 4.366 20 0 GIADRO CCOC(=O)c1csc(CC[NH2+][C@H](c2ccccc2)c2ccc(OC)cc2)n1 ZINC000191559419 823699642 /nfs/dbraw/zinc/69/96/42/823699642.db2.gz QOXLLLOJIQZDGF-OAQYLSRUSA-N 1 0 396.512 4.250 20 0 GIADRO C[C@@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1ccc(Br)cc1 ZINC000163298129 823700247 /nfs/dbraw/zinc/70/02/47/823700247.db2.gz SZLHNTMPHVEPKP-QAPCUYQASA-N 1 0 379.342 4.030 20 0 GIADRO CCOC(=O)c1csc(CC[NH2+][C@@H](C)c2cc3cccc(OCC)c3o2)n1 ZINC000191563470 823700329 /nfs/dbraw/zinc/70/03/29/823700329.db2.gz ASFKYMVCWQZSKW-ZDUSSCGKSA-N 1 0 388.489 4.358 20 0 GIADRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)CC1 ZINC000163310299 823700868 /nfs/dbraw/zinc/70/08/68/823700868.db2.gz BYUGTIUKEDHJGV-NHCUHLMSSA-N 1 0 398.497 4.439 20 0 GIADRO CCOC(=O)c1csc(C2CC[NH+](CCC(=O)c3ccc(C)cc3)CC2)n1 ZINC000191569332 823701617 /nfs/dbraw/zinc/70/16/17/823701617.db2.gz BWAGJIZDJUISSF-UHFFFAOYSA-N 1 0 386.517 4.081 20 0 GIADRO CSC1(CNC(=O)Nc2ccccc2N(C)C2CCCC2)CC[NH+](C)CC1 ZINC000574324531 823702922 /nfs/dbraw/zinc/70/29/22/823702922.db2.gz NYELOMUBSFIBJF-UHFFFAOYSA-N 1 0 390.597 4.014 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)[C@H](C)c1nc2ccccc2s1 ZINC000125755502 823704714 /nfs/dbraw/zinc/70/47/14/823704714.db2.gz RAHSDYSWDVFEGO-LSDHHAIUSA-N 1 0 388.558 4.123 20 0 GIADRO CCC[N@H+](Cc1nc2ccc(F)cc2o1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000163388208 823705893 /nfs/dbraw/zinc/70/58/93/823705893.db2.gz WVFKDJCSXPTAJB-UHFFFAOYSA-N 1 0 395.478 4.484 20 0 GIADRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1cccnc1OCC(F)(F)F ZINC000163394996 823706064 /nfs/dbraw/zinc/70/60/64/823706064.db2.gz YFIBPTUMPHNVMV-UHFFFAOYSA-N 1 0 393.409 4.179 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCSC2(CCC2)CC1 ZINC000413097773 823706721 /nfs/dbraw/zinc/70/67/21/823706721.db2.gz PQKVHJARAGWAHR-UHFFFAOYSA-N 1 0 375.582 4.098 20 0 GIADRO COc1cc(Cl)c(Cl)cc1NC(=O)N1CC[C@@H](Oc2ccncc2)C1 ZINC000574353508 823707230 /nfs/dbraw/zinc/70/72/30/823707230.db2.gz FIGXGBUKGHFGJG-GFCCVEGCSA-N 1 0 382.247 4.082 20 0 GIADRO COc1ccc(CN(C)C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)cc1Cl ZINC000413102526 823707246 /nfs/dbraw/zinc/70/72/46/823707246.db2.gz FFGZIWRBOUHKSP-MRXNPFEDSA-N 1 0 381.948 4.145 20 0 GIADRO C[C@H](NC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)c1nc(Cc2ccccc2)no1 ZINC000191598860 823708227 /nfs/dbraw/zinc/70/82/27/823708227.db2.gz PTTJKGHBGAZXID-LVCYWYKZSA-N 1 0 382.552 4.354 20 0 GIADRO CC[C@@H](NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)c1nc(C)cs1 ZINC000125777772 823708300 /nfs/dbraw/zinc/70/83/00/823708300.db2.gz BFKALFRNEJDRGS-DAWZGUTISA-N 1 0 378.586 4.245 20 0 GIADRO COC(=O)COc1c(C)cc(C[NH2+]Cc2c(OC)ccc3ccccc32)cc1C ZINC000063903885 823708504 /nfs/dbraw/zinc/70/85/04/823708504.db2.gz QTMZCKVPFINEKF-UHFFFAOYSA-N 1 0 393.483 4.307 20 0 GIADRO O=C(Nc1cc2c(cc1Cl)OCCCO2)c1cccc(C[NH+]2CCCC2)c1 ZINC000063914590 823710582 /nfs/dbraw/zinc/71/05/82/823710582.db2.gz DXJNAQGRWOKBPF-UHFFFAOYSA-N 1 0 386.879 4.349 20 0 GIADRO CC(C)CC(=O)N1CCC([NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000163456010 823711314 /nfs/dbraw/zinc/71/13/14/823711314.db2.gz WZVMDWSQNADTAU-GOSISDBHSA-N 1 0 384.442 4.199 20 0 GIADRO COc1cc(C[NH2+]CCOc2cccc(Br)c2)ccc1SC ZINC000063916872 823711541 /nfs/dbraw/zinc/71/15/41/823711541.db2.gz PHLGANPTYSATBJ-UHFFFAOYSA-N 1 0 382.323 4.348 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]CCCOC[C@@H]1CCCO1 ZINC000163463439 823711703 /nfs/dbraw/zinc/71/17/03/823711703.db2.gz MHZNVJQKQLAPLZ-KDOFPFPSSA-N 1 0 378.513 4.494 20 0 GIADRO c1nc(N2CCOCC2)sc1C[N@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000125792700 823711996 /nfs/dbraw/zinc/71/19/96/823711996.db2.gz NQEDLQRZIZTSDZ-JOCHJYFZSA-N 1 0 391.540 4.127 20 0 GIADRO CC[C@@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1ccccc1OC(F)F ZINC000125796376 823712434 /nfs/dbraw/zinc/71/24/34/823712434.db2.gz OZRFGQGTDIROSV-QGZVFWFLSA-N 1 0 383.460 4.074 20 0 GIADRO CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@H](C)C[C@@H](C)O ZINC000125795386 823712526 /nfs/dbraw/zinc/71/25/26/823712526.db2.gz PGQNAYVUYVQRKA-HUUCEWRRSA-N 1 0 394.357 4.255 20 0 GIADRO COc1cc([C@H](C)[NH2+]C2CCN(c3ccc(C)cn3)CC2)ccc1OC(F)F ZINC000163471681 823713144 /nfs/dbraw/zinc/71/31/44/823713144.db2.gz XHFLVWAMKHUHDU-HNNXBMFYSA-N 1 0 391.462 4.320 20 0 GIADRO Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+]CCCOC[C@@H]1CCCO1 ZINC000163474529 823713691 /nfs/dbraw/zinc/71/36/91/823713691.db2.gz IOMPVKZZDXNLIS-HOCLYGCPSA-N 1 0 378.513 4.494 20 0 GIADRO CCc1c(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cnn1-c1cccc(Cl)c1 ZINC000191616502 823713847 /nfs/dbraw/zinc/71/38/47/823713847.db2.gz BINHDAZBDBQFLI-GDBMZVCRSA-N 1 0 389.931 4.035 20 0 GIADRO CCc1c(NC(=O)N2CCC([NH2+]C(C)C)CC2)cnn1-c1cccc(Cl)c1 ZINC000191618424 823715010 /nfs/dbraw/zinc/71/50/10/823715010.db2.gz UMJXROVOQLFCDJ-UHFFFAOYSA-N 1 0 389.931 4.082 20 0 GIADRO Cc1nc(CC[N@H+](Cc2ccco2)Cc2ccc(C(=O)NC3CC3)cc2)cs1 ZINC000125807217 823715702 /nfs/dbraw/zinc/71/57/02/823715702.db2.gz SCIMUBORQYLIAH-UHFFFAOYSA-N 1 0 395.528 4.182 20 0 GIADRO C[NH+](C)CCN(Cc1ccco1)C(=O)Nc1ccccc1CCC(F)(F)F ZINC000125807465 823715904 /nfs/dbraw/zinc/71/59/04/823715904.db2.gz MRJLMYLLTHQACK-UHFFFAOYSA-N 1 0 383.414 4.370 20 0 GIADRO CCCCOc1ccc(C[NH2+]C2CCN(C(=O)c3ccccc3)CC2)cc1OC ZINC000191622518 823716936 /nfs/dbraw/zinc/71/69/36/823716936.db2.gz GJESFOBQUADJFI-UHFFFAOYSA-N 1 0 396.531 4.269 20 0 GIADRO COc1cc(Br)ccc1[C@H](C)[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000191627846 823717947 /nfs/dbraw/zinc/71/79/47/823717947.db2.gz CAKZFMWMBFLUFB-NSHDSACASA-N 1 0 395.263 4.135 20 0 GIADRO CCC(=O)Nc1cccc(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000574393425 823718612 /nfs/dbraw/zinc/71/86/12/823718612.db2.gz WLTZNISPWKRLKH-WBDAEOGXSA-N 1 0 377.532 4.320 20 0 GIADRO Cc1noc(C)c1CSc1ccccc1C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000574398104 823719114 /nfs/dbraw/zinc/71/91/14/823719114.db2.gz NZJBMVDPODUIAP-MSOLQXFVSA-N 1 0 399.560 4.045 20 0 GIADRO CCc1nc(C)c([C@H](C)[NH2+][C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)s1 ZINC000191644662 823722489 /nfs/dbraw/zinc/72/24/89/823722489.db2.gz UPTIEXNFFMAECA-SJCJKPOMSA-N 1 0 393.503 4.134 20 0 GIADRO C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1OC(F)F)[NH+]1[C@H](C)CC[C@H]1C ZINC000413179458 823722551 /nfs/dbraw/zinc/72/25/51/823722551.db2.gz UUGMHBLWNIODCX-MXWKQRLJSA-N 1 0 378.366 4.089 20 0 GIADRO O=C(c1ccccc1)N1CCC([NH2+]Cc2ccc(CSC(F)F)o2)CC1 ZINC000191657599 823725261 /nfs/dbraw/zinc/72/52/61/823725261.db2.gz DGXNMZXUQWQZNF-UHFFFAOYSA-N 1 0 380.460 4.130 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)c(CC(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)s1 ZINC000163586875 823725436 /nfs/dbraw/zinc/72/54/36/823725436.db2.gz BPJUGSJXIWOFCC-IBGZPJMESA-N 1 0 399.604 4.454 20 0 GIADRO Cc1nn(C)c(C)c1CCC[NH2+]Cc1c(C)nn(Cc2ccc(Cl)cc2)c1C ZINC000574422921 823725878 /nfs/dbraw/zinc/72/58/78/823725878.db2.gz SNJTZQCCPKFIAW-UHFFFAOYSA-N 1 0 399.970 4.274 20 0 GIADRO CN(Cc1cccc(OC(F)(F)F)c1)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000574424839 823726253 /nfs/dbraw/zinc/72/62/53/823726253.db2.gz GIUSYUZAXWOZLJ-UHFFFAOYSA-N 1 0 397.372 4.034 20 0 GIADRO CC(C)[C@](C)([NH2+]Cc1ccc(C(N)=O)cc1)c1ccc(Br)cc1 ZINC000191666687 823727513 /nfs/dbraw/zinc/72/75/13/823727513.db2.gz FODXYACMODHGTR-IBGZPJMESA-N 1 0 375.310 4.209 20 0 GIADRO CCc1cc(C(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)oc1CC ZINC000125849348 823728334 /nfs/dbraw/zinc/72/83/34/823728334.db2.gz FOXZTPYQVALSRZ-QGZVFWFLSA-N 1 0 384.520 4.034 20 0 GIADRO CC(=O)c1ccccc1C(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000461869833 823730190 /nfs/dbraw/zinc/73/01/90/823730190.db2.gz FROFMUKXZKNSOC-HDICACEKSA-N 1 0 378.516 4.297 20 0 GIADRO Cc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cc1Br ZINC000163642631 823731320 /nfs/dbraw/zinc/73/13/20/823731320.db2.gz OXPKWOSLWOTPDU-UHFFFAOYSA-N 1 0 393.300 4.023 20 0 GIADRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+][C@H]3CCN(CC(F)(F)F)C3)s2)cc1 ZINC000125865037 823732442 /nfs/dbraw/zinc/73/24/42/823732442.db2.gz KWHIYLGGJOEYFD-WFASDCNBSA-N 1 0 399.482 4.414 20 0 GIADRO CCCOCc1ccccc1C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000163659408 823733413 /nfs/dbraw/zinc/73/34/13/823733413.db2.gz ADOZPUWMQUMKFR-HNNXBMFYSA-N 1 0 379.497 4.007 20 0 GIADRO COCc1ccc(C[NH2+]C2CCN(Cc3cccc(C(F)(F)F)c3)CC2)o1 ZINC000125869751 823733514 /nfs/dbraw/zinc/73/35/14/823733514.db2.gz RSSOKRFKXLOQCX-UHFFFAOYSA-N 1 0 382.426 4.199 20 0 GIADRO CS[C@@H]1CN(c2nc(C(F)F)nc3ccc(Cl)cc32)C[C@@H]1[NH+]1CCCC1 ZINC000413234917 823734756 /nfs/dbraw/zinc/73/47/56/823734756.db2.gz QZTFIVZJVZTULC-LSDHHAIUSA-N 1 0 398.910 4.237 20 0 GIADRO C[N@@H+](CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1)CC1CCCC1 ZINC000064021134 823734883 /nfs/dbraw/zinc/73/48/83/823734883.db2.gz SSKKYTXJSAFIMA-UHFFFAOYSA-N 1 0 383.467 4.139 20 0 GIADRO O=C(c1ccc(Oc2ccncc2)c(Cl)c1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000574455594 823735170 /nfs/dbraw/zinc/73/51/70/823735170.db2.gz FFRLBVZOCMSILV-QFBILLFUSA-N 1 0 385.895 4.132 20 0 GIADRO CC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc(S(=O)(=O)C(F)F)c(OC)c1 ZINC000163676002 823735353 /nfs/dbraw/zinc/73/53/53/823735353.db2.gz YZQZPNVMZSDZBR-PBHICJAKSA-N 1 0 397.487 4.363 20 0 GIADRO CCCOc1ccc(CNC(=O)c2cccc(C[NH+]3CCCC3)c2)cc1OC ZINC000064026194 823735651 /nfs/dbraw/zinc/73/56/51/823735651.db2.gz WMUYHTDDSKLIKU-UHFFFAOYSA-N 1 0 382.504 4.010 20 0 GIADRO CCOC(=O)c1cccc(N(CC)C(=O)c2cccc(C[NH+]3CCCC3)c2)c1 ZINC000064027002 823736076 /nfs/dbraw/zinc/73/60/76/823736076.db2.gz PHXFEKQTULIMLG-UHFFFAOYSA-N 1 0 380.488 4.126 20 0 GIADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2nc(-c3ccccc3)oc2C2CC2)C1 ZINC000163682656 823735991 /nfs/dbraw/zinc/73/59/91/823735991.db2.gz JLLVRZPZIQIHOW-QGZVFWFLSA-N 1 0 381.520 4.317 20 0 GIADRO COc1ccc(CCC[N@H+](C)[C@@H](C)C(=O)Nc2ccccc2OC(F)F)cc1 ZINC000125883565 823736771 /nfs/dbraw/zinc/73/67/71/823736771.db2.gz GRNBYHLTHCCSBC-HNNXBMFYSA-N 1 0 392.446 4.188 20 0 GIADRO Cc1cccc(N2CC[NH+](CCC(=O)N3CCC[C@@H]3c3ccccc3C)CC2)c1 ZINC000461882566 823737121 /nfs/dbraw/zinc/73/71/21/823737121.db2.gz LFRPBLABGDEWAZ-XMMPIXPASA-N 1 0 391.559 4.179 20 0 GIADRO CCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000125884333 823737147 /nfs/dbraw/zinc/73/71/47/823737147.db2.gz BWTHOXBKRZLDBN-QMTHXVAHSA-N 1 0 382.348 4.386 20 0 GIADRO CC[C@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1Br ZINC000064030370 823737383 /nfs/dbraw/zinc/73/73/83/823737383.db2.gz BOKYNMNMINWJJT-KBPBESRZSA-N 1 0 376.722 4.107 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@H]2CCN(CC(F)(F)F)C2)ccc1SC(F)F ZINC000125895103 823739270 /nfs/dbraw/zinc/73/92/70/823739270.db2.gz XTRMMJUECJNFNE-JQWIXIFHSA-N 1 0 384.414 4.297 20 0 GIADRO CC(C)c1c(NC(=O)N2CC[C@H](C[NH+](C)C)C2)cnn1-c1ccc(Cl)cc1 ZINC000191698088 823739576 /nfs/dbraw/zinc/73/95/76/823739576.db2.gz PWSXSKMPQVPIPO-OAHLLOKOSA-N 1 0 389.931 4.065 20 0 GIADRO CC[C@H](CCc1ccc(Br)cc1)[NH2+][C@H](C)C(=O)NCc1ccco1 ZINC000461892596 823740791 /nfs/dbraw/zinc/74/07/91/823740791.db2.gz XAZVFOIVKMEIAG-RHSMWYFYSA-N 1 0 393.325 4.048 20 0 GIADRO CC[C@@H](Cc1ccc(C)cc1)[NH2+][C@H](c1nccn1C)c1cc(OC)cc(OC)c1 ZINC000461892720 823741300 /nfs/dbraw/zinc/74/13/00/823741300.db2.gz YNGFMYYSGFOOQD-REWPJTCUSA-N 1 0 393.531 4.446 20 0 GIADRO COCCOCc1ccc(C[NH2+][C@@H]2COc3c2ccc(Cl)c3Cl)cc1 ZINC000574481293 823742299 /nfs/dbraw/zinc/74/22/99/823742299.db2.gz PIOOVAFVZCHBNZ-QGZVFWFLSA-N 1 0 382.287 4.380 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)c1cccc(C(F)(F)F)c1 ZINC000163732429 823742635 /nfs/dbraw/zinc/74/26/35/823742635.db2.gz XHTPZPQADAAONK-INIZCTEOSA-N 1 0 378.438 4.388 20 0 GIADRO Cc1nc(CC2CC2)sc1C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000191706857 823742510 /nfs/dbraw/zinc/74/25/10/823742510.db2.gz GQQCGNKIMOCBOU-MRXNPFEDSA-N 1 0 383.561 4.359 20 0 GIADRO CCNC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(Br)cc2F)cc1 ZINC000125916386 823743185 /nfs/dbraw/zinc/74/31/85/823743185.db2.gz BGEMEOLFWSGVBW-LBPRGKRZSA-N 1 0 379.273 4.189 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)Nc2cccc(Cl)c2Br)cc1 ZINC000191709756 823743288 /nfs/dbraw/zinc/74/32/88/823743288.db2.gz JITQYLXDMGAPDU-UHFFFAOYSA-N 1 0 396.716 4.486 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+][C@H](CN2CCOCC2)c2ccccc2)cc1OCC ZINC000163745518 823744477 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GIADRO C[C@H](O)[C@](C)(C[NH2+]Cc1cccc(OCc2ccccn2)c1)Cc1ccccc1 ZINC000191721279 823746585 /nfs/dbraw/zinc/74/65/85/823746585.db2.gz ZIYIDESLZORVIB-CPJSRVTESA-N 1 0 390.527 4.380 20 0 GIADRO CC(C)CN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@@H]1CCCc2cccnc21 ZINC000163794783 823749835 /nfs/dbraw/zinc/74/98/35/823749835.db2.gz TXDIJAGAPUEFBI-OTYNDTSQSA-N 1 0 384.568 4.142 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1sc(C(F)(F)F)nc1C)Cc1ccccc1 ZINC000461909479 823749929 /nfs/dbraw/zinc/74/99/29/823749929.db2.gz VCTRQPNGQNNGSO-OAHLLOKOSA-N 1 0 399.482 4.153 20 0 GIADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)Nc2cccc(Cl)c2Br)C1 ZINC000191734695 823750997 /nfs/dbraw/zinc/75/09/97/823750997.db2.gz NTLXKSBWEKORSR-GFCCVEGCSA-N 1 0 388.737 4.202 20 0 GIADRO C[C@@H](NC(=O)[C@@H](C)N1CC[NH+](CC2CCCCC2)CC1)c1cc2ccccc2o1 ZINC000064130074 823752230 /nfs/dbraw/zinc/75/22/30/823752230.db2.gz GCXHIDDVEAYKFM-RTBURBONSA-N 1 0 397.563 4.196 20 0 GIADRO O=C(CN1CC[NH+](CC2CCCCC2)CC1)Nc1ccc(SC(F)F)cc1 ZINC000064129925 823752467 /nfs/dbraw/zinc/75/24/67/823752467.db2.gz DKAWOUBNRAEVGB-UHFFFAOYSA-N 1 0 397.535 4.138 20 0 GIADRO Cc1nc(C)c(CC[NH2+]C[C@H](O)COC(c2ccccc2)c2ccccc2)s1 ZINC000574511883 823752811 /nfs/dbraw/zinc/75/28/11/823752811.db2.gz AGGBYCAWYVEKLC-NRFANRHFSA-N 1 0 396.556 4.059 20 0 GIADRO Cc1cc(N(C)C2CC[NH+](CCC(F)(F)F)CC2)nc(-c2cccs2)n1 ZINC000413325149 823753016 /nfs/dbraw/zinc/75/30/16/823753016.db2.gz UKPBUXUAIGBXQZ-UHFFFAOYSA-N 1 0 384.471 4.367 20 0 GIADRO Clc1cc(CN2CC[NH+](Cc3cccc4cccnc43)CC2)cc(Cl)n1 ZINC000064140228 823753392 /nfs/dbraw/zinc/75/33/92/823753392.db2.gz PCEXXXDWUKMVNL-UHFFFAOYSA-N 1 0 387.314 4.254 20 0 GIADRO COc1ccc(CN(C)C(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1Cl ZINC000413335281 823754976 /nfs/dbraw/zinc/75/49/76/823754976.db2.gz FXVGOMQYUHJNHB-UHFFFAOYSA-N 1 0 393.959 4.287 20 0 GIADRO COc1ccc(F)c(C(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)c1OC ZINC000191746330 823755178 /nfs/dbraw/zinc/75/51/78/823755178.db2.gz WODPTYOHIQVIJS-UHFFFAOYSA-N 1 0 386.467 4.327 20 0 GIADRO CCOc1ccccc1Oc1ccc(C[NH2+]C2CCN(CC(F)F)CC2)cn1 ZINC000163895764 823757895 /nfs/dbraw/zinc/75/78/95/823757895.db2.gz BZEKYUPVKDDSCN-UHFFFAOYSA-N 1 0 391.462 4.092 20 0 GIADRO COc1cc(C[N@H+](C)Cc2cn(C)nc2-c2cc3ccccc3o2)ccc1O ZINC000125981083 823758909 /nfs/dbraw/zinc/75/89/09/823758909.db2.gz NXVWVFRTMUINIL-UHFFFAOYSA-N 1 0 377.444 4.180 20 0 GIADRO C[C@H]1C[C@H](NC(=O)N2CCSC3(CCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000413361130 823759662 /nfs/dbraw/zinc/75/96/62/823759662.db2.gz OBNVHNFMDLQFML-AZUAARDMSA-N 1 0 387.593 4.111 20 0 GIADRO O=C(c1cc(-c2ccccc2C(F)(F)F)on1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000461927418 823760023 /nfs/dbraw/zinc/76/00/23/823760023.db2.gz IDIPJVLFKCTPQD-AWEZNQCLSA-N 1 0 393.409 4.061 20 0 GIADRO C[C@H](CC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)c1ccc(F)c(Br)c1 ZINC000461929462 823760907 /nfs/dbraw/zinc/76/09/07/823760907.db2.gz UDJZDPRUCVVVCT-ZBFHGGJFSA-N 1 0 397.332 4.169 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)Nc2cc(Cl)ccc2O[C@H](C)COC)CC1 ZINC000191769386 823761611 /nfs/dbraw/zinc/76/16/11/823761611.db2.gz ICHWJZWYMOKEQF-OAHLLOKOSA-N 1 0 397.947 4.092 20 0 GIADRO COCCOCc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(OC)cc2OC)cc1 ZINC000574556853 823765066 /nfs/dbraw/zinc/76/50/66/823765066.db2.gz HOUAHBAVIGRLDX-JOCHJYFZSA-N 1 0 385.504 4.204 20 0 GIADRO Fc1ccc(-c2nc3c(s2)[C@@H]([NH2+]CCCNc2ncccn2)CCC3)cc1 ZINC000163952778 823765395 /nfs/dbraw/zinc/76/53/95/823765395.db2.gz JXACQOKDWCPMNG-INIZCTEOSA-N 1 0 383.496 4.208 20 0 GIADRO Cc1cc(NC(=O)c2cccc(C[NH+]3CCCCC3)c2)ccc1C(=O)NC(C)C ZINC000413394193 823767331 /nfs/dbraw/zinc/76/73/31/823767331.db2.gz ARQYEPXMTMFFGV-UHFFFAOYSA-N 1 0 393.531 4.371 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2nnc(-c3cc4ccccc4o3)s2)[C@H](C)C1 ZINC000191791068 823769034 /nfs/dbraw/zinc/76/90/34/823769034.db2.gz KNBHDVIEUFGQQZ-HIFRSBDPSA-N 1 0 399.520 4.145 20 0 GIADRO Cc1ccc(NC(=O)c2cncc(-c3ccc4c(c3)CCO4)c2)c(C[NH+](C)C)c1 ZINC000126027987 823769225 /nfs/dbraw/zinc/76/92/25/823769225.db2.gz JZKXXIAOATXGPH-UHFFFAOYSA-N 1 0 387.483 4.306 20 0 GIADRO C[C@H](CC(=O)N1CCc2ccccc2[C@H]1Cc1ccccc1)C1CC[NH2+]CC1 ZINC000574569407 823769330 /nfs/dbraw/zinc/76/93/30/823769330.db2.gz QEMBXMVUHVAZCT-NTKDMRAZSA-N 1 0 376.544 4.381 20 0 GIADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000126035828 823771213 /nfs/dbraw/zinc/77/12/13/823771213.db2.gz LZXMJHPBGPRNPE-GCJKJVERSA-N 1 0 378.516 4.115 20 0 GIADRO C[C@@H]1CN(Cc2cccc(C[NH2+][C@H](c3ncc[nH]3)C3CCCCC3)c2)CCO1 ZINC000574591413 823773981 /nfs/dbraw/zinc/77/39/81/823773981.db2.gz TXSBZTWRALDCER-GCJKJVERSA-N 1 0 382.552 4.042 20 0 GIADRO C[C@H](c1ccccc1C(F)(F)F)[C@H](C)NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000164067259 823774678 /nfs/dbraw/zinc/77/46/78/823774678.db2.gz MIOITRYKSSRSNI-YESZJQIVSA-N 1 0 397.485 4.325 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)NCc2cccc(OCC(C)C)c2)c1 ZINC000064227568 823775313 /nfs/dbraw/zinc/77/53/13/823775313.db2.gz LWHGCGYJLNPWMV-UHFFFAOYSA-N 1 0 383.536 4.173 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)CN(Cc2ccccc2)Cc2ccccc2)CC1 ZINC000461968136 823775776 /nfs/dbraw/zinc/77/57/76/823775776.db2.gz UTWOJMRKRLXXDU-UHFFFAOYSA-N 1 0 393.575 4.022 20 0 GIADRO COCCOCc1ccc(C[NH2+]C[C@@H]2CCCO[C@H]2c2ccc(C)cc2)cc1 ZINC000574600196 823776394 /nfs/dbraw/zinc/77/63/94/823776394.db2.gz JBXLJAIFAICTLJ-ZEQRLZLVSA-N 1 0 383.532 4.416 20 0 GIADRO COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000191808779 823776960 /nfs/dbraw/zinc/77/69/60/823776960.db2.gz FWLUVQMASHWLSF-HOTGVXAUSA-N 1 0 394.943 4.347 20 0 GIADRO CCOc1cccc(CNC(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)c1 ZINC000064237280 823778224 /nfs/dbraw/zinc/77/82/24/823778224.db2.gz ASMWCRGDCLJQLY-QFIPXVFZSA-N 1 0 381.520 4.030 20 0 GIADRO COc1cc(C[NH2+][C@H](COc2ccccc2F)C(C)(C)C)cc(OC)c1O ZINC000574607189 823778532 /nfs/dbraw/zinc/77/85/32/823778532.db2.gz UGVVYTBAEWFIEQ-LJQANCHMSA-N 1 0 377.456 4.132 20 0 GIADRO COc1cc(C[NH2+][C@@H](COc2ccccc2F)C(C)(C)C)cc(OC)c1O ZINC000574607181 823779092 /nfs/dbraw/zinc/77/90/92/823779092.db2.gz UGVVYTBAEWFIEQ-IBGZPJMESA-N 1 0 377.456 4.132 20 0 GIADRO CC[N@H+](CCC(=O)Nc1ccc(Br)cc1)[C@@H]1CCOC(C)(C)C1 ZINC000574608135 823779593 /nfs/dbraw/zinc/77/95/93/823779593.db2.gz LRKUXWOAXXNVTR-MRXNPFEDSA-N 1 0 383.330 4.057 20 0 GIADRO CN(C(=O)[C@H]1CC(C)(C)Oc2ccccc21)C1CC[NH+](Cc2ccccc2)CC1 ZINC000413446831 823779737 /nfs/dbraw/zinc/77/97/37/823779737.db2.gz CTGIGGMAUNRQFL-QFIPXVFZSA-N 1 0 392.543 4.454 20 0 GIADRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)NC12CC3CC(CC(C3)C1)C2 ZINC000064251294 823780072 /nfs/dbraw/zinc/78/00/72/823780072.db2.gz BFQRGXGIWNZXQT-UHFFFAOYSA-N 1 0 387.593 4.228 20 0 GIADRO CS(=O)(=O)CCCC[NH+]1CCC(Cc2cc(Cl)ccc2Cl)CC1 ZINC000164135573 823780830 /nfs/dbraw/zinc/78/08/30/823780830.db2.gz UWPIZWILLWTDJB-UHFFFAOYSA-N 1 0 378.365 4.073 20 0 GIADRO COc1ccc(C[NH2+][C@H]2CCCc3nc(-c4ccccc4)sc32)c(OC)n1 ZINC000574611653 823781437 /nfs/dbraw/zinc/78/14/37/823781437.db2.gz LLNGZJKWWIEOIT-INIZCTEOSA-N 1 0 381.501 4.390 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)OCCCO3)cc1Br ZINC000126087601 823783848 /nfs/dbraw/zinc/78/38/48/823783848.db2.gz PGMCVMJJVZPLFL-CYBMUJFWSA-N 1 0 392.293 4.470 20 0 GIADRO COC(=O)[C@H]1CC[N@H+](CCSc2ccnc3cc(Cl)ccc32)C[C@@H]1C ZINC000191823957 823784464 /nfs/dbraw/zinc/78/44/64/823784464.db2.gz DCQZTQYOTNBAGL-ZFWWWQNUSA-N 1 0 378.925 4.111 20 0 GIADRO O[C@@H](C[NH2+]C[C@H]1CCOC2(CCC2)C1)COc1ccc(Oc2ccccc2)cc1 ZINC000574631239 823786263 /nfs/dbraw/zinc/78/62/63/823786263.db2.gz IDHXTYGNEXRXEY-PMACEKPBSA-N 1 0 397.515 4.158 20 0 GIADRO COC(=O)c1coc([C@H](C)[NH2+]C[C@H](c2cccc(C(F)(F)F)c2)N(C)C)c1 ZINC000574634242 823786726 /nfs/dbraw/zinc/78/67/26/823786726.db2.gz SBWLTNQCPGPYQU-BLLLJJGKSA-N 1 0 384.398 4.039 20 0 GIADRO C[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1)c1cnc2ccsc2c1 ZINC000191831505 823789440 /nfs/dbraw/zinc/78/94/40/823789440.db2.gz AIPSZPHHYKPHHR-FXAWDEMLSA-N 1 0 381.545 4.238 20 0 GIADRO O=C(Nc1ccc(Cl)cn1)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000064316843 823790289 /nfs/dbraw/zinc/79/02/89/823790289.db2.gz IGNCTQSXYVTWIK-QGZVFWFLSA-N 1 0 383.801 4.128 20 0 GIADRO C[N@@H+]1CCC[C@@H](CCNC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)C1 ZINC000574656628 823792228 /nfs/dbraw/zinc/79/22/28/823792228.db2.gz UXASVIUMKLCWAP-INIZCTEOSA-N 1 0 378.476 4.348 20 0 GIADRO Cc1ccc(CN(Cc2ccco2)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)s1 ZINC000126122480 823793528 /nfs/dbraw/zinc/79/35/28/823793528.db2.gz QFXDHCUTOJSBEI-QGZVFWFLSA-N 1 0 387.549 4.378 20 0 GIADRO C[C@H]1CCCN(c2cc(C(=O)N3CCC[C@H](C[NH+]4CCCCCC4)C3)ccn2)C1 ZINC000462018407 823795994 /nfs/dbraw/zinc/79/59/94/823795994.db2.gz WOEDRXTVOICHEB-LEWJYISDSA-N 1 0 398.595 4.046 20 0 GIADRO COc1ccc(OC(C)C)c(NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)c1 ZINC000462017636 823796151 /nfs/dbraw/zinc/79/61/51/823796151.db2.gz QYGUFDNHGRDJEI-UHFFFAOYSA-N 1 0 377.444 4.295 20 0 GIADRO Cc1cc(C)nc(Sc2ccc(NC(=O)C3CC[NH+](C(C)C)CC3)cc2)n1 ZINC000462022838 823798209 /nfs/dbraw/zinc/79/82/09/823798209.db2.gz HLFAPPLCPKDWJE-UHFFFAOYSA-N 1 0 384.549 4.304 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCCN(c2ccccc2Cl)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000164390744 823800127 /nfs/dbraw/zinc/80/01/27/823800127.db2.gz BVYRQMPONUTPTF-WBVHZDCISA-N 1 0 392.952 4.063 20 0 GIADRO CCCOc1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)cc1OC ZINC000462029490 823802233 /nfs/dbraw/zinc/80/22/33/823802233.db2.gz DBIASODGGZNYFS-OAQYLSRUSA-N 1 0 396.531 4.155 20 0 GIADRO COc1ccc(Cl)c(NC(=S)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000064371767 823802458 /nfs/dbraw/zinc/80/24/58/823802458.db2.gz HADXZIAZIQJDJO-UHFFFAOYSA-N 1 0 389.952 4.300 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC000164443506 823803094 /nfs/dbraw/zinc/80/30/94/823803094.db2.gz BMEWOLGNHKAQRM-JOCHJYFZSA-N 1 0 388.515 4.437 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+](C)[C@H]1CCc2ccccc21 ZINC000164443639 823803287 /nfs/dbraw/zinc/80/32/87/823803287.db2.gz BMEWOLGNHKAQRM-QFIPXVFZSA-N 1 0 388.515 4.437 20 0 GIADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H](c2cccc(F)c2)c2ccccn2)C1 ZINC000126171253 823804890 /nfs/dbraw/zinc/80/48/90/823804890.db2.gz JOSKRUWPYIJBQV-UTKZUKDTSA-N 1 0 398.526 4.120 20 0 GIADRO COc1ccc(-c2noc(C[NH2+][C@@H]3CCC[C@H]3Cc3ccccc3)n2)c(OC)c1 ZINC000191891076 823805330 /nfs/dbraw/zinc/80/53/30/823805330.db2.gz MBEMOOGNXGJEHE-FXAWDEMLSA-N 1 0 393.487 4.255 20 0 GIADRO COc1cccc2c1OC[C@H]([NH2+][C@@H](C)c1sc(-c3cccnc3)nc1C)C2 ZINC000164547342 823808211 /nfs/dbraw/zinc/80/82/11/823808211.db2.gz FEUKJPWEYFJZMV-SUMWQHHRSA-N 1 0 381.501 4.176 20 0 GIADRO COc1ccc(CN(C)C(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2Cl)cc1OC ZINC000126195810 823810375 /nfs/dbraw/zinc/81/03/75/823810375.db2.gz ZXYNXCBZWXEVCN-CABCVRRESA-N 1 0 390.911 4.055 20 0 GIADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000574726413 823811384 /nfs/dbraw/zinc/81/13/84/823811384.db2.gz MMPQUYNLVILVQA-OXQOHEQNSA-N 1 0 392.469 4.009 20 0 GIADRO C[N@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCCO2)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000574726908 823811402 /nfs/dbraw/zinc/81/14/02/823811402.db2.gz SWZWBQSLCCEJKL-IYBDPMFKSA-N 1 0 395.425 4.401 20 0 GIADRO CN(CC1CC[NH+](C)CC1)C(=O)N[C@@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000462051372 823813007 /nfs/dbraw/zinc/81/30/07/823813007.db2.gz NISZOTJOCPMWOT-GOSISDBHSA-N 1 0 384.351 4.428 20 0 GIADRO [NH3+][C@H]1CCC[C@@H](CNC(=O)Nc2ccc3nc(Cc4ccccc4)oc3c2)C1 ZINC000574739648 823814924 /nfs/dbraw/zinc/81/49/24/823814924.db2.gz WLGIQOLTEQNYKN-SJORKVTESA-N 1 0 378.476 4.058 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H]2CCN(Cc3ccccn3)C[C@@H]2C)cc1 ZINC000126224748 823815991 /nfs/dbraw/zinc/81/59/91/823815991.db2.gz ZMJGGJCDJSKZJI-JXQFQVJHSA-N 1 0 389.547 4.137 20 0 GIADRO COc1ccc(CN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(Cl)cc2)cc1OC ZINC000126235504 823817491 /nfs/dbraw/zinc/81/74/91/823817491.db2.gz ZVSUHUFVRWPCME-GJZGRUSLSA-N 1 0 390.911 4.055 20 0 GIADRO COc1ccc(NC(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)c(C(F)(F)F)c1 ZINC000574763632 823820258 /nfs/dbraw/zinc/82/02/58/823820258.db2.gz WGTBBHCFUYPCNO-CQSZACIVSA-N 1 0 395.425 4.356 20 0 GIADRO COc1ccc2c(c1)C1(CC1)C[N@@H+](CCc1nc(-c3cccc(Cl)c3)no1)C2 ZINC000574798365 823829950 /nfs/dbraw/zinc/82/99/50/823829950.db2.gz IVYCFFIFPQJLGX-UHFFFAOYSA-N 1 0 395.890 4.489 20 0 GIADRO C[C@@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1cccc(Br)c1 ZINC000462110954 823830845 /nfs/dbraw/zinc/83/08/45/823830845.db2.gz HQCALMAQTGMNFR-QAPCUYQASA-N 1 0 379.342 4.030 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]Cc1ccc(OC(C)C)nc1 ZINC000126292626 823831890 /nfs/dbraw/zinc/83/18/90/823831890.db2.gz SJXUTNPRBDVYLU-AWEZNQCLSA-N 1 0 391.899 4.038 20 0 GIADRO C[C@@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000165062395 823832686 /nfs/dbraw/zinc/83/26/86/823832686.db2.gz DEYPJZVEIWLTIM-PGRDOPGGSA-N 1 0 398.522 4.056 20 0 GIADRO Cc1ccc2c([nH+]cc(C(=O)[O-])c2N2CC[NH+](C3CCC(C)CC3)CC2)c1C ZINC000574813864 823833504 /nfs/dbraw/zinc/83/35/04/823833504.db2.gz ONQKXMIHMODVJG-UHFFFAOYSA-N 1 0 381.520 4.251 20 0 GIADRO Cc1ccc(OC(F)F)c([C@H](C)[NH2+]CCc2cccc(C(=O)N(C)C)c2)c1 ZINC000165102306 823833787 /nfs/dbraw/zinc/83/37/87/823833787.db2.gz CILWCINCCQSTFI-HNNXBMFYSA-N 1 0 376.447 4.192 20 0 GIADRO c1csc(N2CCC[N@@H+](CCOC(c3ccccc3)c3ccccc3)CC2)n1 ZINC000064518832 823833798 /nfs/dbraw/zinc/83/37/98/823833798.db2.gz PAJQFFIWKCAUIK-UHFFFAOYSA-N 1 0 393.556 4.461 20 0 GIADRO COCCN1CCC([NH2+][C@H]2CCCC[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000462118210 823834337 /nfs/dbraw/zinc/83/43/37/823834337.db2.gz DUYRHDZHMFYCOO-UXHICEINSA-N 1 0 384.486 4.432 20 0 GIADRO Cc1cc(-n2ccnc2)ccc1C[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000192015449 823835221 /nfs/dbraw/zinc/83/52/21/823835221.db2.gz OLBIQQZRPGMLMB-HSZRJFAPSA-N 1 0 379.479 4.265 20 0 GIADRO O=C(CCOc1ccccc1Cl)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000064521511 823835376 /nfs/dbraw/zinc/83/53/76/823835376.db2.gz MCMUVWDLFFRNRL-INIZCTEOSA-N 1 0 392.952 4.199 20 0 GIADRO O=C(CCSc1ccccc1F)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000064521844 823835420 /nfs/dbraw/zinc/83/54/20/823835420.db2.gz VWGIFAWUNKDUNK-INIZCTEOSA-N 1 0 392.565 4.398 20 0 GIADRO CN(C)c1cccc(CN(C)C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000165134632 823835610 /nfs/dbraw/zinc/83/56/10/823835610.db2.gz HEPHXCSNJIRBSR-UHFFFAOYSA-N 1 0 379.548 4.013 20 0 GIADRO COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(OC(C)C)cc2)c1C ZINC000574828521 823835485 /nfs/dbraw/zinc/83/54/85/823835485.db2.gz YRRCFYLNSWCYIS-HOCLYGCPSA-N 1 0 386.492 4.127 20 0 GIADRO COC[C@@H](C)Nc1ccccc1NC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000413760200 823835639 /nfs/dbraw/zinc/83/56/39/823835639.db2.gz ATIUGXDVQDMLIW-GOSISDBHSA-N 1 0 381.520 4.372 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)C(=O)Nc1ccccc1Cl ZINC000192019902 823836022 /nfs/dbraw/zinc/83/60/22/823836022.db2.gz XZPKTJMZOURTKP-JBBXEZCESA-N 1 0 379.287 4.440 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)C(=O)Nc1c(F)cccc1F ZINC000192025241 823836743 /nfs/dbraw/zinc/83/67/43/823836743.db2.gz DYIQUISJBNWGEL-LIXBPZJASA-N 1 0 380.822 4.065 20 0 GIADRO COc1cc(NC(=O)c2cccc(C[NH+]3CCCCC3)c2)c(OC)c(C)c1OC ZINC000413763438 823836852 /nfs/dbraw/zinc/83/68/52/823836852.db2.gz HDIAVMRQPIXXJK-UHFFFAOYSA-N 1 0 398.503 4.259 20 0 GIADRO CC[NH+]1CCC(CNC(=O)N(C)[C@@H](C)Cc2ccccc2C(F)(F)F)CC1 ZINC000574832913 823836984 /nfs/dbraw/zinc/83/69/84/823836984.db2.gz WJEVDSBGVSAOEJ-HNNXBMFYSA-N 1 0 385.474 4.010 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H]1C[C@]12CCCc1ccccc12 ZINC000126313726 823837562 /nfs/dbraw/zinc/83/75/62/823837562.db2.gz OAYZHJJGJLBXGJ-NOZRDPDXSA-N 1 0 389.543 4.051 20 0 GIADRO O=C(C[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)Nc1nc2ccccc2s1 ZINC000192031330 823837780 /nfs/dbraw/zinc/83/77/80/823837780.db2.gz VKQWKTXWOFPQIC-CRAIPNDOSA-N 1 0 387.892 4.008 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)N2CCc3ccccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000574836736 823838135 /nfs/dbraw/zinc/83/81/35/823838135.db2.gz YIXBYUCVYWQIQB-XXBNENTESA-N 1 0 377.532 4.150 20 0 GIADRO O=C(C[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)Nc1cc(Cl)ccc1F ZINC000192032707 823838409 /nfs/dbraw/zinc/83/84/09/823838409.db2.gz CSRGMFDQJSYSET-CRAIPNDOSA-N 1 0 383.250 4.191 20 0 GIADRO CSCC[C@@H](C)[N@H+](C)Cc1nc(-c2cc(Br)cs2)no1 ZINC000126317679 823838575 /nfs/dbraw/zinc/83/85/75/823838575.db2.gz HWDNOCJCZLWIMN-SECBINFHSA-N 1 0 376.345 4.134 20 0 GIADRO CC(C)c1cccc(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000462132483 823839759 /nfs/dbraw/zinc/83/97/59/823839759.db2.gz GBLGLUFGQMJLLG-FRIKZZABSA-N 1 0 398.572 4.284 20 0 GIADRO COCCOc1ccc([C@@H](C)[NH2+]CCc2c[nH]c3cccc(C)c23)cc1OC ZINC000165242105 823841054 /nfs/dbraw/zinc/84/10/54/823841054.db2.gz NVZLOPAIYDSWLP-QGZVFWFLSA-N 1 0 382.504 4.403 20 0 GIADRO COc1ccc(Cl)c(NC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000064548130 823841887 /nfs/dbraw/zinc/84/18/87/823841887.db2.gz KRGOZBJUMRMMCQ-UHFFFAOYSA-N 1 0 387.911 4.443 20 0 GIADRO Cc1csc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)c1Br ZINC000192053070 823844976 /nfs/dbraw/zinc/84/49/76/823844976.db2.gz NYJKSAVVTPOHEE-UHFFFAOYSA-N 1 0 385.371 4.346 20 0 GIADRO O=C(Nc1ccc2c(c1)C[NH2+]CCO2)N[C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000574860245 823845953 /nfs/dbraw/zinc/84/59/53/823845953.db2.gz PLVKZWPMHGASEQ-IBGZPJMESA-N 1 0 381.451 4.065 20 0 GIADRO CSc1ccc(Cl)cc1NC(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000064562834 823846326 /nfs/dbraw/zinc/84/63/26/823846326.db2.gz WEYMCFYYISFRTC-UHFFFAOYSA-N 1 0 393.940 4.324 20 0 GIADRO Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000192057847 823846493 /nfs/dbraw/zinc/84/64/93/823846493.db2.gz PLIBZVGZXFNHKE-QFBILLFUSA-N 1 0 379.287 4.360 20 0 GIADRO CSc1ccc(NC(=O)C[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)cc2)cc1 ZINC000192058240 823846517 /nfs/dbraw/zinc/84/65/17/823846517.db2.gz XKLLNSDJCBONEH-HKUYNNGSSA-N 1 0 376.909 4.120 20 0 GIADRO Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000192057858 823846684 /nfs/dbraw/zinc/84/66/84/823846684.db2.gz PLIBZVGZXFNHKE-LPHOPBHVSA-N 1 0 379.287 4.360 20 0 GIADRO C[C@@H]([NH2+]C1CCN(Cc2ccc(F)cc2)CC1)c1ccc(-n2ccnc2)cc1 ZINC000165379758 823846553 /nfs/dbraw/zinc/84/65/53/823846553.db2.gz SMZZIYYVUSOIKM-GOSISDBHSA-N 1 0 378.495 4.327 20 0 GIADRO CCOc1ccc(NC(=O)NCCC[NH+]2CCCCCC2)c(C(F)(F)F)c1 ZINC000064564541 823847708 /nfs/dbraw/zinc/84/77/08/823847708.db2.gz UZMSHAXRBFWXFS-UHFFFAOYSA-N 1 0 387.446 4.492 20 0 GIADRO [NH3+]Cc1ccc(OCC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000574870017 823848217 /nfs/dbraw/zinc/84/82/17/823848217.db2.gz PIYDSQUYEXBHKI-GOSISDBHSA-N 1 0 379.287 4.195 20 0 GIADRO Fc1cc(Br)ccc1CCC[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000126363770 823849106 /nfs/dbraw/zinc/84/91/06/823849106.db2.gz VDZHXPBAKWFGRO-UHFFFAOYSA-N 1 0 397.254 4.137 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+][C@@H](C)c1ccc(NC(N)=O)cc1 ZINC000165449476 823849394 /nfs/dbraw/zinc/84/93/94/823849394.db2.gz KNJUQOMWAHGOSN-STQMWFEESA-N 1 0 381.505 4.416 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cccc(-c2cscn2)c1 ZINC000462159762 823849355 /nfs/dbraw/zinc/84/93/55/823849355.db2.gz SHOAXJVAVHNOKR-OXQOHEQNSA-N 1 0 377.513 4.060 20 0 GIADRO COc1cc(NCc2[nH+]c(C(C)C)n3ccccc23)ccc1N1CCCC1=O ZINC000574882199 823850899 /nfs/dbraw/zinc/85/08/99/823850899.db2.gz UQAOEWQSFBGTHU-UHFFFAOYSA-N 1 0 378.476 4.205 20 0 GIADRO C[NH+](C)[C@H]1CCOc2c(NC(=O)c3ccc([C@H]4CCCOC4)cc3)cccc21 ZINC000574891768 823853090 /nfs/dbraw/zinc/85/30/90/823853090.db2.gz MAHATOVHGQOXKF-RXVVDRJESA-N 1 0 380.488 4.218 20 0 GIADRO C[C@@H](NC(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000462173224 823853297 /nfs/dbraw/zinc/85/32/97/823853297.db2.gz CKCTYLMJEIICGA-OAHLLOKOSA-N 1 0 383.458 4.426 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cnc(-c2ccsc2)s1 ZINC000462173001 823853312 /nfs/dbraw/zinc/85/33/12/823853312.db2.gz BHYYLTJPRGPTCT-RHSMWYFYSA-N 1 0 383.542 4.122 20 0 GIADRO C[C@@H](NC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)c1ccc(C(F)(F)F)cc1 ZINC000462173085 823853701 /nfs/dbraw/zinc/85/37/01/823853701.db2.gz BJQOQXKDALEEST-QAPCUYQASA-N 1 0 383.458 4.426 20 0 GIADRO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000574892540 823853727 /nfs/dbraw/zinc/85/37/27/823853727.db2.gz ITKCIWNDIAKYME-MBSDFSHPSA-N 1 0 394.515 4.270 20 0 GIADRO Cc1ccc(C)c(OC2CC[NH+]([C@@H](C)C(=O)N3CCc4sccc4C3)CC2)c1 ZINC000064631593 823854602 /nfs/dbraw/zinc/85/46/02/823854602.db2.gz JMRXNRIKPCVPTR-SFHVURJKSA-N 1 0 398.572 4.182 20 0 GIADRO CCC[N@H+](Cc1nc2c3ccccc3oc2c(=O)[nH]1)[C@@H]1CCc2ccccc2C1 ZINC000064632605 823855548 /nfs/dbraw/zinc/85/55/48/823855548.db2.gz BFUNEEDVVAFDDT-GOSISDBHSA-N 1 0 387.483 4.439 20 0 GIADRO CN(C)C(=O)CC[N@H+](Cc1ccc(-c2ccccc2C(F)(F)F)o1)C1CC1 ZINC000064632438 823855579 /nfs/dbraw/zinc/85/55/79/823855579.db2.gz OCFGFBMFXKHGLY-UHFFFAOYSA-N 1 0 380.410 4.408 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Cc1c[nH]c2cc(Cl)ccc12 ZINC000462178218 823856052 /nfs/dbraw/zinc/85/60/52/823856052.db2.gz URRLKMQHBKOICK-VFNWGFHPSA-N 1 0 381.907 4.001 20 0 GIADRO Cc1nccn1-c1ccc(C[NH2+][C@@H](C)[C@@H](C)c2nc3ccccc3s2)cn1 ZINC000126394932 823856156 /nfs/dbraw/zinc/85/61/56/823856156.db2.gz JGVWIEYTSMHSMA-CABCVRRESA-N 1 0 377.517 4.467 20 0 GIADRO CC(=O)Nc1ccc(CC[NH2+][C@@H](C)c2sc(-c3cccnc3)nc2C)cc1 ZINC000165652049 823856807 /nfs/dbraw/zinc/85/68/07/823856807.db2.gz VDCVLLPJXLGEIL-AWEZNQCLSA-N 1 0 380.517 4.365 20 0 GIADRO CN(CCCc1ccccc1)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000064644334 823856808 /nfs/dbraw/zinc/85/68/08/823856808.db2.gz KVDBCIJUNWPSIQ-HXUWFJFHSA-N 1 0 385.577 4.234 20 0 GIADRO Cc1cccc(Cl)c1NC(=O)C[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000192091241 823857330 /nfs/dbraw/zinc/85/73/30/823857330.db2.gz BMRXPUGQNUNPGP-LPHOPBHVSA-N 1 0 397.277 4.499 20 0 GIADRO CCc1nc(C)c([C@H](C)[NH2+][C@@H](CC)c2ccccc2OCC(=O)N(C)C)s1 ZINC000165671963 823857821 /nfs/dbraw/zinc/85/78/21/823857821.db2.gz UXEQYCFFSSXFJV-YOEHRIQHSA-N 1 0 389.565 4.283 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCC(C)(C)c2cccnc2)CC1 ZINC000413884617 823858095 /nfs/dbraw/zinc/85/80/95/823858095.db2.gz CDAZFNOCNUHWLM-IBGZPJMESA-N 1 0 386.584 4.045 20 0 GIADRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1)c1cccc(F)c1F ZINC000165681828 823858247 /nfs/dbraw/zinc/85/82/47/823858247.db2.gz DAPRYZVJULNXKY-ZDUSSCGKSA-N 1 0 397.416 4.077 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ncoc1-c1ccccc1Cl ZINC000462184951 823858896 /nfs/dbraw/zinc/85/88/96/823858896.db2.gz CXMGDXPPMHIRPT-BEFAXECRSA-N 1 0 395.890 4.245 20 0 GIADRO OCCC1(C[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)CCCCC1 ZINC000165695886 823859484 /nfs/dbraw/zinc/85/94/84/823859484.db2.gz SCDBNHUYFYMKBG-UHFFFAOYSA-N 1 0 382.951 4.366 20 0 GIADRO CCn1nc(C)c(C[NH2+]CCC(=O)Nc2ccc(Oc3ccccc3)cc2)c1C ZINC000574911897 823859609 /nfs/dbraw/zinc/85/96/09/823859609.db2.gz HZOMNELAUNMTHZ-UHFFFAOYSA-N 1 0 392.503 4.431 20 0 GIADRO C[C@H](CC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(F)c(Br)c1 ZINC000462185671 823859662 /nfs/dbraw/zinc/85/96/62/823859662.db2.gz FYWMBELMVXDGAP-BPLDGKMQSA-N 1 0 385.321 4.071 20 0 GIADRO Cc1c(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)sc2nccc(C)c12 ZINC000462188470 823860885 /nfs/dbraw/zinc/86/08/85/823860885.db2.gz IEESYSDIKMZYDY-CRAIPNDOSA-N 1 0 379.529 4.163 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)c(F)c1 ZINC000413895927 823861800 /nfs/dbraw/zinc/86/18/00/823861800.db2.gz AWFXEXCECGQNBE-ZIAGYGMSSA-N 1 0 376.394 4.073 20 0 GIADRO C[C@@H](SCc1ccccc1)C(=O)Nc1ccc(OCC[NH+](C)C)cc1F ZINC000413896506 823861831 /nfs/dbraw/zinc/86/18/31/823861831.db2.gz CJAHSGMOORPYRM-OAHLLOKOSA-N 1 0 376.497 4.027 20 0 GIADRO COc1cc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cc(OC)c1C(C)C ZINC000462190305 823861861 /nfs/dbraw/zinc/86/18/61/823861861.db2.gz QEZACYZAJLKANM-XLIONFOSSA-N 1 0 396.531 4.078 20 0 GIADRO COC(=O)c1oc([C@H](C)[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)cc1C ZINC000192105799 823862135 /nfs/dbraw/zinc/86/21/35/823862135.db2.gz QAQSDGVJAGPDRL-GEWABHDNSA-N 1 0 381.831 4.348 20 0 GIADRO CCc1oc(C[N@@H+]2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)cc1C(=O)OC ZINC000574929529 823862319 /nfs/dbraw/zinc/86/23/19/823862319.db2.gz HSDQKVPXTUGRQM-CYBMUJFWSA-N 1 0 386.423 4.289 20 0 GIADRO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c(F)c1 ZINC000192108433 823862613 /nfs/dbraw/zinc/86/26/13/823862613.db2.gz JWKHHOGUAZUWMC-YXKWSERDSA-N 1 0 394.849 4.373 20 0 GIADRO Cc1[nH]c2ccc(Cl)cc2c1C(=O)Nc1ccc(OCC[NH+](C)C)cc1F ZINC000413899844 823862643 /nfs/dbraw/zinc/86/26/43/823862643.db2.gz JFEICFQHYVHZLX-UHFFFAOYSA-N 1 0 389.858 4.462 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000126425803 823863616 /nfs/dbraw/zinc/86/36/16/823863616.db2.gz XUYSQIWAPBXOHI-UHFFFAOYSA-N 1 0 392.330 4.306 20 0 GIADRO O=C(C[NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)Nc1cccc2ccccc21 ZINC000192111285 823863796 /nfs/dbraw/zinc/86/37/96/823863796.db2.gz VUNFUCAWAKMWCP-IFMALSPDSA-N 1 0 382.410 4.176 20 0 GIADRO Cc1cc(C(F)(F)F)ccc1C(=O)Nc1ccc(OCC[NH+](C)C)cc1F ZINC000413908140 823864031 /nfs/dbraw/zinc/86/40/31/823864031.db2.gz CALKCMVFCYMIOO-UHFFFAOYSA-N 1 0 384.373 4.346 20 0 GIADRO Cc1nc(C(F)(F)F)sc1C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000462195085 823864099 /nfs/dbraw/zinc/86/40/99/823864099.db2.gz JWBIDUACCCQBBW-LBPRGKRZSA-N 1 0 385.455 4.111 20 0 GIADRO C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)C(=O)Nc1ccccc1Cl ZINC000192111898 823864208 /nfs/dbraw/zinc/86/42/08/823864208.db2.gz ZJRDDQBFFKTWAE-FJNPEDAXSA-N 1 0 380.822 4.065 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccccc1COC(C)(C)C ZINC000462196658 823865199 /nfs/dbraw/zinc/86/51/99/823865199.db2.gz QXSLLSSRKCFEIU-GCJKJVERSA-N 1 0 380.532 4.252 20 0 GIADRO Cc1nc(C(F)(F)F)c(C[NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)s1 ZINC000192116947 823865616 /nfs/dbraw/zinc/86/56/16/823865616.db2.gz OEBJPZHJHBHNOA-OCCSQVGLSA-N 1 0 378.366 4.368 20 0 GIADRO CC[C@H](CNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)CC(F)(F)F ZINC000413921489 823866695 /nfs/dbraw/zinc/86/66/95/823866695.db2.gz VJGUIHATBJHGKU-INIZCTEOSA-N 1 0 385.474 4.271 20 0 GIADRO Fc1ccc([C@H]2OCC[C@@H]2[NH2+]Cc2nc3ccccc3n2C(F)F)cc1F ZINC000192125608 823868451 /nfs/dbraw/zinc/86/84/51/823868451.db2.gz ZKBCGLWNDHSXIM-MAUKXSAKSA-N 1 0 379.357 4.329 20 0 GIADRO CC(=O)N(c1nc(CN2CC[C@@H]3CC[C@H](C2)[N@@H+]3C(C)C)cs1)c1ccccc1 ZINC000166220196 823872723 /nfs/dbraw/zinc/87/27/23/823872723.db2.gz WYTBEKVPOSJNFD-LEWJYISDSA-N 1 0 398.576 4.275 20 0 GIADRO COC(=O)c1ccc(Cl)c(C[NH2+][C@H]2CCO[C@H]2c2ccc(F)c(F)c2)c1 ZINC000192135318 823873439 /nfs/dbraw/zinc/87/34/39/823873439.db2.gz ROENSRMLVDPTOA-ROUUACIJSA-N 1 0 381.806 4.025 20 0 GIADRO CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3cc(O)cc(C(F)(F)F)c3)ccc2NC1=O ZINC000574964544 823874057 /nfs/dbraw/zinc/87/40/57/823874057.db2.gz KLQSVCMKZPRWOE-APPDUMDISA-N 1 0 394.393 4.371 20 0 GIADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)CCC(=O)c2ccc3c(c2)CCC3)C1 ZINC000064735221 823875252 /nfs/dbraw/zinc/87/52/52/823875252.db2.gz VPCODCHWKIXYJJ-KGVIQGDOSA-N 1 0 382.548 4.002 20 0 GIADRO Cc1c(C[N@H+]2CC=C(c3ccc(Cl)cc3)CC2)c(=O)n(-c2ccccc2)n1C ZINC000126477163 823878242 /nfs/dbraw/zinc/87/82/42/823878242.db2.gz UZCOAZRYVGQHDI-UHFFFAOYSA-N 1 0 393.918 4.427 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)Nc2cc(OC)cc(OC)c2Cl)cc1 ZINC000413961533 823878347 /nfs/dbraw/zinc/87/83/47/823878347.db2.gz UDGCMHZOUQBPTL-UHFFFAOYSA-N 1 0 376.884 4.451 20 0 GIADRO Cc1cc(C)c(NC(=O)C[NH2+][C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c(Cl)c1 ZINC000192143608 823878395 /nfs/dbraw/zinc/87/83/95/823878395.db2.gz JTYTYXLOKVOYPY-FXAWDEMLSA-N 1 0 394.849 4.293 20 0 GIADRO O=C(NC[C@H](Cc1ccccc1)C(F)(F)F)N1CCC([NH+]2CCCCC2)CC1 ZINC000462220180 823878889 /nfs/dbraw/zinc/87/88/89/823878889.db2.gz CVABLYRIBKYTOF-SFHVURJKSA-N 1 0 397.485 4.068 20 0 GIADRO O=C(NC[C@H](Cc1ccccc1)C(F)(F)F)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000462222083 823879407 /nfs/dbraw/zinc/87/94/07/823879407.db2.gz BRBHRQHRKPFGKW-OALUTQOASA-N 1 0 397.485 4.068 20 0 GIADRO Cc1nc(CN2CCC(C[NH2+][C@H](C[C@@H]3CCOC3)c3ccccc3)CC2)oc1C ZINC000166581274 823879455 /nfs/dbraw/zinc/87/94/55/823879455.db2.gz QYJUWFQYJPQTID-JTHBVZDNSA-N 1 0 397.563 4.261 20 0 GIADRO Cc1nc(-c2cc([C@H](C)[NH2+][C@H]3CCCN(c4cnn(C)c4)C3)cs2)cs1 ZINC000166552402 823879573 /nfs/dbraw/zinc/87/95/73/823879573.db2.gz NCOXSXDNFKSPOK-BBRMVZONSA-N 1 0 387.578 4.233 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)NCc2cccc(NC(=O)CC(C)C)c2)cc1 ZINC000064751917 823879979 /nfs/dbraw/zinc/87/99/79/823879979.db2.gz FMSQQMJUWSQXET-UHFFFAOYSA-N 1 0 395.547 4.443 20 0 GIADRO Cc1csc(N2CCC([NH2+][C@H](C)c3ccc(-n4ccnc4C)cc3)CC2)n1 ZINC000166670188 823880756 /nfs/dbraw/zinc/88/07/56/823880756.db2.gz IEGPUDCSOGDIST-MRXNPFEDSA-N 1 0 381.549 4.265 20 0 GIADRO O=C(c1ccccc1)N1CCC(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000166660390 823880809 /nfs/dbraw/zinc/88/08/09/823880809.db2.gz RQTJKQWMLYPYPR-XUZZJYLKSA-N 1 0 392.543 4.296 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCCc1ccsc1 ZINC000064756300 823880884 /nfs/dbraw/zinc/88/08/84/823880884.db2.gz FBGYUZJOSFHYDX-UHFFFAOYSA-N 1 0 399.482 4.083 20 0 GIADRO C[C@H]([NH2+]C[C@H]1CC2(CCC2)C(=O)O1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000192149668 823881046 /nfs/dbraw/zinc/88/10/46/823881046.db2.gz SVOHFHIQBHRQLD-OXJNMPFZSA-N 1 0 378.472 4.075 20 0 GIADRO Cc1cccc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C(F)(F)F)cc2)c1 ZINC000064756489 823881102 /nfs/dbraw/zinc/88/11/02/823881102.db2.gz MDSDMMVPVMDTRO-UHFFFAOYSA-N 1 0 393.453 4.287 20 0 GIADRO C[C@H]([NH2+]C[C@H]1CC2(CCC2)C(=O)O1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000192152877 823882554 /nfs/dbraw/zinc/88/25/54/823882554.db2.gz FCHOTTXJGNDHIP-MGPUTAFESA-N 1 0 396.462 4.214 20 0 GIADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)c2cccc(Br)c2)C1 ZINC000462228975 823883222 /nfs/dbraw/zinc/88/32/22/823883222.db2.gz CEEWLLLYMBIENT-JKSUJKDBSA-N 1 0 381.358 4.037 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)NCC(F)(F)c2ccccc2)CC1 ZINC000462229562 823883622 /nfs/dbraw/zinc/88/36/22/823883622.db2.gz QISIUNTUSBUMMK-UHFFFAOYSA-N 1 0 387.474 4.084 20 0 GIADRO CC[NH+](CC)CC1CCN(C(=O)NC[C@@H](Cc2ccccc2)C(F)(F)F)CC1 ZINC000462232196 823885642 /nfs/dbraw/zinc/88/56/42/823885642.db2.gz HAXFMQSUVQMJBB-LJQANCHMSA-N 1 0 399.501 4.171 20 0 GIADRO O=C(c1ccco1)N1CCC([NH2+][C@@H]2CCCOc3cc4c(cc32)CCCC4)CC1 ZINC000126507022 823886752 /nfs/dbraw/zinc/88/67/52/823886752.db2.gz FFLNNLLXMWUXPE-OAQYLSRUSA-N 1 0 394.515 4.267 20 0 GIADRO CCOCCOc1cc(C)ccc1C[NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000167151992 823887070 /nfs/dbraw/zinc/88/70/70/823887070.db2.gz KKAJAYDAZOXFQW-IBGZPJMESA-N 1 0 379.504 4.447 20 0 GIADRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C)cc1OC[C@H]1CCOC1)CCCO2 ZINC000167167338 823887635 /nfs/dbraw/zinc/88/76/35/823887635.db2.gz VEANSTGPHPRLMM-AVRDEDQJSA-N 1 0 397.515 4.422 20 0 GIADRO CC[C@@H]([NH2+]Cc1ccc(C)cc1OC[C@@H]1CCOC1)c1ccc2c(c1)OCCO2 ZINC000167179930 823887983 /nfs/dbraw/zinc/88/79/83/823887983.db2.gz OIHDYYRRXYNNKA-WIYYLYMNSA-N 1 0 397.515 4.422 20 0 GIADRO C[N@H+](CCNC(=O)CCOc1ccccc1-c1ccccc1)Cc1ccccc1 ZINC000064805044 823888418 /nfs/dbraw/zinc/88/84/18/823888418.db2.gz JMZMGUFQMMMQMD-UHFFFAOYSA-N 1 0 388.511 4.371 20 0 GIADRO Cc1nccn1-c1ccc(C[NH2+]Cc2ccc(Br)c(Cl)c2)cn1 ZINC000192166198 823888633 /nfs/dbraw/zinc/88/86/33/823888633.db2.gz HTFMYKVFPYUINB-UHFFFAOYSA-N 1 0 391.700 4.281 20 0 GIADRO Cc1ccc(C[NH2+]C2CCN(c3ccccc3)CC2)c(OC[C@H]2CCOC2)c1 ZINC000167196176 823888634 /nfs/dbraw/zinc/88/86/34/823888634.db2.gz CAKRZHWWBOAWGI-FQEVSTJZSA-N 1 0 380.532 4.169 20 0 GIADRO Cc1ccc(C[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)c(OC[C@@H]2CCOC2)c1 ZINC000167194752 823888846 /nfs/dbraw/zinc/88/88/46/823888846.db2.gz FDFCJNUDTTUICE-ZWKOTPCHSA-N 1 0 383.488 4.032 20 0 GIADRO Cc1ccc(C[NH2+]C2CCN(c3ccccc3)CC2)c(OC[C@@H]2CCOC2)c1 ZINC000167196072 823888957 /nfs/dbraw/zinc/88/89/57/823888957.db2.gz CAKRZHWWBOAWGI-HXUWFJFHSA-N 1 0 380.532 4.169 20 0 GIADRO C[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1 ZINC000167350188 823890395 /nfs/dbraw/zinc/89/03/95/823890395.db2.gz VEPDQMMNUJXGMA-HXOBKFHXSA-N 1 0 386.499 4.426 20 0 GIADRO CC(C)c1ccc2c(c1)[C@@H]([NH2+]Cc1cccnc1N1CCOCC1)CCCO2 ZINC000126525111 823890327 /nfs/dbraw/zinc/89/03/27/823890327.db2.gz CKJFEENYHGQQKU-NRFANRHFSA-N 1 0 381.520 4.045 20 0 GIADRO C[C@H]([NH2+][C@H]1CCN(c2c(F)cccc2F)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000167470410 823892675 /nfs/dbraw/zinc/89/26/75/823892675.db2.gz XFAVUWMIQQECJI-ZFWWWQNUSA-N 1 0 385.458 4.124 20 0 GIADRO COCCOc1cc(C)ccc1C[NH2+][C@H](C)c1cnn(Cc2ccccc2)c1 ZINC000167650255 823894366 /nfs/dbraw/zinc/89/43/66/823894366.db2.gz NUCNTTKKSDQBOY-LJQANCHMSA-N 1 0 379.504 4.116 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)c2ccc(Br)c(C)c2)C1 ZINC000575032860 823894821 /nfs/dbraw/zinc/89/48/21/823894821.db2.gz DTPFHPAZQVYRQI-INIZCTEOSA-N 1 0 395.385 4.225 20 0 GIADRO C[C@H](NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)c1ccc(N2CCOC2=O)cc1 ZINC000167853244 823896957 /nfs/dbraw/zinc/89/69/57/823896957.db2.gz KYXUIAOQZUSNKF-ROUUACIJSA-N 1 0 381.520 4.423 20 0 GIADRO C[C@@H](CC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2)c1ccc(C(F)(F)F)cc1 ZINC000575039040 823897021 /nfs/dbraw/zinc/89/70/21/823897021.db2.gz NROIEJUDPNYHSJ-BLLLJJGKSA-N 1 0 377.410 4.049 20 0 GIADRO COc1ccc([C@@H](C)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)cc1NC(C)=O ZINC000167869889 823897792 /nfs/dbraw/zinc/89/77/92/823897792.db2.gz NVKMLIJZSRAJIO-IAGOWNOFSA-N 1 0 383.536 4.434 20 0 GIADRO CCOc1ccccc1Oc1ccc(C[NH2+][C@@H](C)Cc2ccc(OC)nc2)cn1 ZINC000414063235 823899254 /nfs/dbraw/zinc/89/92/54/823899254.db2.gz DLLIOVWIFMZJHY-KRWDZBQOSA-N 1 0 393.487 4.397 20 0 GIADRO CC(C)c1nn(Cc2ccccc2)c(Cl)c1CNC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000168042676 823899256 /nfs/dbraw/zinc/89/92/56/823899256.db2.gz PKEXIZGDPFNRME-GOSISDBHSA-N 1 0 386.971 4.282 20 0 GIADRO C[C@H]([NH2+]CCCc1nnc2n1CCCCC2)c1csc(-c2ccccc2)n1 ZINC000414066634 823899858 /nfs/dbraw/zinc/89/98/58/823899858.db2.gz HGKWHVOELQHGJP-INIZCTEOSA-N 1 0 381.549 4.411 20 0 GIADRO CCS[C@H]1CC[C@@H](N(C)C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000126565301 823900108 /nfs/dbraw/zinc/90/01/08/823900108.db2.gz IEEOAOQGLLKSRH-UXHICEINSA-N 1 0 393.572 4.106 20 0 GIADRO CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CCN(C(=O)c3ccccc3F)CC2)C1(C)C ZINC000414067273 823900422 /nfs/dbraw/zinc/90/04/22/823900422.db2.gz QGGUNVCMEGQLPC-RBUKOAKNSA-N 1 0 376.516 4.002 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(OC(F)F)c(F)c1)c1cccc(N2CCCC2=O)c1 ZINC000168173391 823900690 /nfs/dbraw/zinc/90/06/90/823900690.db2.gz NNEBFFBAJXRJOH-CYBMUJFWSA-N 1 0 378.394 4.405 20 0 GIADRO COc1cc(C[NH2+][C@H]2CC[C@@H](c3cccc(Cl)c3)C2)ccc1OCCO ZINC000414070355 823900954 /nfs/dbraw/zinc/90/09/54/823900954.db2.gz LCQPDAAFZFUBNK-MJGOQNOKSA-N 1 0 375.896 4.146 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(OC(F)F)c(F)c1)c1cccc(N2CCCC2=O)c1 ZINC000168173314 823900936 /nfs/dbraw/zinc/90/09/36/823900936.db2.gz NNEBFFBAJXRJOH-ZDUSSCGKSA-N 1 0 378.394 4.405 20 0 GIADRO CCOc1c(OC)cc(C[NH2+]Cc2ccc(OC(F)F)c(F)c2)cc1OC ZINC000168197780 823900988 /nfs/dbraw/zinc/90/09/88/823900988.db2.gz MEZKTULUNWYGFT-UHFFFAOYSA-N 1 0 385.382 4.133 20 0 GIADRO COc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)c(C)c1 ZINC000414071385 823901276 /nfs/dbraw/zinc/90/12/76/823901276.db2.gz KNVJKIZTPYERMO-OTWHNJEPSA-N 1 0 396.531 4.104 20 0 GIADRO CN(C)C1(C[NH2+][C@H]2CCCc3nc(-c4ccccc4F)sc32)CCOCC1 ZINC000168303416 823901860 /nfs/dbraw/zinc/90/18/60/823901860.db2.gz WMHWHOUDCFCHHR-KRWDZBQOSA-N 1 0 389.540 4.027 20 0 GIADRO CC(C)c1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)CCCO2 ZINC000126571757 823902066 /nfs/dbraw/zinc/90/20/66/823902066.db2.gz IRPIBJXDPQXYQD-NRFANRHFSA-N 1 0 387.545 4.358 20 0 GIADRO CS(=O)(=O)Cc1ccc(C[NH2+][C@H]2CCCOc3cc4c(cc32)CCCC4)cc1 ZINC000126572159 823902471 /nfs/dbraw/zinc/90/24/71/823902471.db2.gz QAXOKSYLOSWHOL-QFIPXVFZSA-N 1 0 399.556 4.114 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1)c1cccc(N2CCCC2)c1 ZINC000168363795 823902466 /nfs/dbraw/zinc/90/24/66/823902466.db2.gz YTCLUNRPLSVTLP-CVEARBPZSA-N 1 0 390.524 4.241 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+](C)Cc1cccc(F)c1 ZINC000126573670 823903188 /nfs/dbraw/zinc/90/31/88/823903188.db2.gz DTCXWFOEQPNLOU-UHFFFAOYSA-N 1 0 380.467 4.089 20 0 GIADRO Fc1ccc(CCN2CCC([NH2+]C3CCN(c4cccs4)CC3)CC2)cc1 ZINC000168431568 823903174 /nfs/dbraw/zinc/90/31/74/823903174.db2.gz JEFYLJCSUQZNAH-UHFFFAOYSA-N 1 0 387.568 4.153 20 0 GIADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](c2ccccc2F)C2CCCC2)cc1 ZINC000168496858 823903197 /nfs/dbraw/zinc/90/31/97/823903197.db2.gz CNNNAYGANXNLDJ-VFNWGFHPSA-N 1 0 390.524 4.316 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1nnc([C@H]2CCCS2)n1C1CC1 ZINC000575066827 823903281 /nfs/dbraw/zinc/90/32/81/823903281.db2.gz HIKOIJSCLIUJNM-UYAOXDASSA-N 1 0 397.592 4.139 20 0 GIADRO O=C(c1ccco1)N1CCC([NH2+][C@H](c2ccccc2)c2cccc(F)c2)CC1 ZINC000168566228 823904314 /nfs/dbraw/zinc/90/43/14/823904314.db2.gz VQCQMMLYBMKJTO-JOCHJYFZSA-N 1 0 378.447 4.403 20 0 GIADRO C[C@H]([NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1F)[C@H]1C[C@H]1C ZINC000414084117 823904893 /nfs/dbraw/zinc/90/48/93/823904893.db2.gz FALIBWNDVUCPQD-MHWYNOHBSA-N 1 0 379.472 4.092 20 0 GIADRO O=C(c1cccc(C[NH2+][C@H]2CC[C@@H](c3cccc(Cl)c3)C2)c1)N1CCOCC1 ZINC000414085866 823906020 /nfs/dbraw/zinc/90/60/20/823906020.db2.gz YXDGWGQNKJLYLG-KNQAVFIVSA-N 1 0 398.934 4.238 20 0 GIADRO O=C(Nc1ccccc1)Nc1cccc2c1CC[N@H+](CCO[C@H]1CCCCO1)C2 ZINC000575078870 823906289 /nfs/dbraw/zinc/90/62/89/823906289.db2.gz LORKNFHDPMKBCO-QFIPXVFZSA-N 1 0 395.503 4.232 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2ccncc2C(F)(F)F)CC1 ZINC000192217071 823906416 /nfs/dbraw/zinc/90/64/16/823906416.db2.gz JVFYPVIEWYUUCE-AWEZNQCLSA-N 1 0 377.410 4.056 20 0 GIADRO CCOc1cc(C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2Cl)ccc1OC ZINC000168827464 823906903 /nfs/dbraw/zinc/90/69/03/823906903.db2.gz AATJBEBAQXXOHS-AWEZNQCLSA-N 1 0 386.883 4.179 20 0 GIADRO C[C@H](CC[S@](C)=O)[NH2+][C@@H](c1ccccc1)c1cccc(Br)c1 ZINC000414093428 823907642 /nfs/dbraw/zinc/90/76/42/823907642.db2.gz NZEZKVMMCSKYMT-GHNFSYLKSA-N 1 0 380.351 4.285 20 0 GIADRO COc1ccc(-c2nc3c(s2)[C@H]([NH2+]CCOc2cccnc2)CCC3)cc1 ZINC000169050747 823907748 /nfs/dbraw/zinc/90/77/48/823907748.db2.gz LVRBJSHCHPTAAK-GOSISDBHSA-N 1 0 381.501 4.260 20 0 GIADRO CC[C@H]([NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1F)[C@@H]1C[C@@H]1C ZINC000414095972 823908448 /nfs/dbraw/zinc/90/84/48/823908448.db2.gz QBTALYXZBNEAPY-SNLNFDIBSA-N 1 0 393.499 4.482 20 0 GIADRO CC[C@H]([NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1F)[C@H]1C[C@@H]1C ZINC000414095971 823908647 /nfs/dbraw/zinc/90/86/47/823908647.db2.gz QBTALYXZBNEAPY-SMIBBHEZSA-N 1 0 393.499 4.482 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(N)cc2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000169138664 823908598 /nfs/dbraw/zinc/90/85/98/823908598.db2.gz WKOUDWRHZLYNKN-APWZRJJASA-N 1 0 391.437 4.101 20 0 GIADRO CC(C)(C)C[C@H]([NH2+]C[C@H](O)C1CCOCC1)c1ccc(Br)cc1 ZINC000414097680 823908771 /nfs/dbraw/zinc/90/87/71/823908771.db2.gz PPDSKQIAIXPJDF-ROUUACIJSA-N 1 0 384.358 4.304 20 0 GIADRO COc1ccc(C[NH2+][C@H](C)[C@@H]2COc3ccccc32)cc1OCc1cccnc1 ZINC000169164918 823909124 /nfs/dbraw/zinc/90/91/24/823909124.db2.gz IXDCEOBMMGSMEL-UTKZUKDTSA-N 1 0 390.483 4.324 20 0 GIADRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@H](c1ccccc1)c1cccc(Br)c1 ZINC000414100846 823909882 /nfs/dbraw/zinc/90/98/82/823909882.db2.gz LOIIQZOZALMARD-GUDVDZBRSA-N 1 0 387.321 4.043 20 0 GIADRO CC[C@@H]([NH2+]CCc1nnc2n1CCCCC2)c1ccc2cc(OC)ccc2c1 ZINC000126612786 823911348 /nfs/dbraw/zinc/91/13/48/823911348.db2.gz LQKGDYAXBVBENX-OAQYLSRUSA-N 1 0 378.520 4.450 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC000462282545 823911618 /nfs/dbraw/zinc/91/16/18/823911618.db2.gz WMVGGBDHYDPOFI-ACJLOTCBSA-N 1 0 399.445 4.143 20 0 GIADRO C[C@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)c1csc(-c2ccccc2)n1 ZINC000414109234 823911815 /nfs/dbraw/zinc/91/18/15/823911815.db2.gz GZSBPCJLVOLEMC-INIZCTEOSA-N 1 0 379.529 4.405 20 0 GIADRO C[C@@H]([NH2+]C[C@H](c1ccc(Cl)cc1)N(C)CCC(F)(F)F)c1ccn(C)n1 ZINC000414113182 823912359 /nfs/dbraw/zinc/91/23/59/823912359.db2.gz ASJRNTODJUTQTI-CXAGYDPISA-N 1 0 388.865 4.350 20 0 GIADRO CC(C)(C)C[C@@H]([NH2+]Cc1ccc(C(N)=O)nc1)c1ccc(Br)cc1 ZINC000414120300 823913697 /nfs/dbraw/zinc/91/36/97/823913697.db2.gz XJWIHVGKNOECJY-QGZVFWFLSA-N 1 0 390.325 4.210 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2cc(Cl)ccc2OC)c(C)c1 ZINC000414118643 823913714 /nfs/dbraw/zinc/91/37/14/823913714.db2.gz VOEYAQJONNLPQD-CQSZACIVSA-N 1 0 376.884 4.345 20 0 GIADRO CC[N@H+](Cc1cc(=O)n2ccsc2n1)C(c1ccccc1)c1ccccc1 ZINC000575111283 823915248 /nfs/dbraw/zinc/91/52/48/823915248.db2.gz GTMLMLSPXCYETI-UHFFFAOYSA-N 1 0 375.497 4.368 20 0 GIADRO COc1cccc(Oc2ncccc2C[NH2+][C@H](C)Cc2ccc(OC)nc2)c1 ZINC000414128338 823915806 /nfs/dbraw/zinc/91/58/06/823915806.db2.gz TVAFSZKTBSDQBW-MRXNPFEDSA-N 1 0 379.460 4.007 20 0 GIADRO CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2cccc(COC3CCOCC3)c2)C1(C)C ZINC000414130308 823915994 /nfs/dbraw/zinc/91/59/94/823915994.db2.gz WHUJAHZVOKBGMQ-LEWJYISDSA-N 1 0 375.553 4.454 20 0 GIADRO C[C@@H](CCCc1cccnc1)[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000414137880 823917673 /nfs/dbraw/zinc/91/76/73/823917673.db2.gz FLCQDJJAGIGXDA-OALUTQOASA-N 1 0 378.520 4.456 20 0 GIADRO C[C@H](CCCc1cccnc1)[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000414137878 823917844 /nfs/dbraw/zinc/91/78/44/823917844.db2.gz FLCQDJJAGIGXDA-MOPGFXCFSA-N 1 0 378.520 4.456 20 0 GIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NS(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000064956801 823917992 /nfs/dbraw/zinc/91/79/92/823917992.db2.gz LDMOACQSRXCBQS-BBRMVZONSA-N 1 0 399.343 4.107 20 0 GIADRO CCn1cc(NC(=O)NC[C@@H](c2ccc(C(F)(F)F)cc2)[NH+](CC)CC)cn1 ZINC000064959902 823918790 /nfs/dbraw/zinc/91/87/90/823918790.db2.gz CIPBAULVYHMCCK-KRWDZBQOSA-N 1 0 397.445 4.126 20 0 GIADRO CC[C@H]([NH2+]C1CCN([C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1)[C@H]1CC1(C)C ZINC000414152601 823919405 /nfs/dbraw/zinc/91/94/05/823919405.db2.gz RBABHQKWCOTQKY-DQLDELGASA-N 1 0 392.609 4.030 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1cncc(F)c1)c1ccc(F)c(I)c1 ZINC000414153173 823919442 /nfs/dbraw/zinc/91/94/42/823919442.db2.gz YQYIQJRRXYAIBK-ZJUUUORDSA-N 1 0 388.199 4.376 20 0 GIADRO CC(C)(C)O[C@H]1C[C@H]([NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)C1(C)C ZINC000414156204 823919640 /nfs/dbraw/zinc/91/96/40/823919640.db2.gz ULFSPTAQGINWQQ-GQGLESIBSA-N 1 0 376.507 4.364 20 0 GIADRO CC(C)(C)O[C@H]1C[C@@H]([NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)C1(C)C ZINC000414156196 823919698 /nfs/dbraw/zinc/91/96/98/823919698.db2.gz ULFSPTAQGINWQQ-BACDZXNISA-N 1 0 376.507 4.364 20 0 GIADRO Clc1ccc([C@@H](C[NH2+]Cc2cccc3cccnc32)N2CCOCC2)cc1 ZINC000126651139 823919813 /nfs/dbraw/zinc/91/98/13/823919813.db2.gz FJAQESPTJHHKAI-OAQYLSRUSA-N 1 0 381.907 4.051 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)NC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000575140212 823921669 /nfs/dbraw/zinc/92/16/69/823921669.db2.gz KKPJUDFUMRUNQM-SFHVURJKSA-N 1 0 388.515 4.268 20 0 GIADRO CCC[C@@H]([NH2+]C[C@H](CO)Cc1cc(F)cc(Br)c1)c1cccnc1 ZINC000414171914 823922113 /nfs/dbraw/zinc/92/21/13/823922113.db2.gz DLFPORSUVVPYIH-DNVCBOLYSA-N 1 0 395.316 4.265 20 0 GIADRO CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2ccc(F)cc2Br)C1 ZINC000064995192 823922679 /nfs/dbraw/zinc/92/26/79/823922679.db2.gz VRQNHFJDFKSFSH-ZFWWWQNUSA-N 1 0 385.321 4.105 20 0 GIADRO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2csc(-c3ccsc3)n2)C1 ZINC000064995290 823922785 /nfs/dbraw/zinc/92/27/85/823922785.db2.gz GIPXEPLIIMUYCH-CABCVRRESA-N 1 0 377.579 4.388 20 0 GIADRO CC[C@H]([NH2+]C[C@H](CO)Cc1cc(F)cc(Br)c1)c1ccc(F)cn1 ZINC000414179396 823923287 /nfs/dbraw/zinc/92/32/87/823923287.db2.gz KQTXTKZJNSSTIZ-DYVFJYSZSA-N 1 0 399.279 4.014 20 0 GIADRO C[C@@H]([NH2+]CC1(N2CCOCC2)CCOCC1)c1ccc(Oc2ccccc2)cc1 ZINC000414184241 823924330 /nfs/dbraw/zinc/92/43/30/823924330.db2.gz NRVRVQGNUZLBJD-HXUWFJFHSA-N 1 0 396.531 4.011 20 0 GIADRO CC(C)c1cccc(S(=O)(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000462323255 823924861 /nfs/dbraw/zinc/92/48/61/823924861.db2.gz HFPKHEGZOQISHG-XLIONFOSSA-N 1 0 392.590 4.233 20 0 GIADRO O=C(C[NH2+]C1(c2ccc(Br)cc2)CCC1)Nc1cccnc1Cl ZINC000170643605 823924860 /nfs/dbraw/zinc/92/48/60/823924860.db2.gz KEZQDVDOZLKGMT-UHFFFAOYSA-N 1 0 394.700 4.105 20 0 GIADRO COc1ccc(NC(=O)CC[N@H+](C)CCCc2cc(-c3ccccc3)no2)cc1 ZINC000170647057 823925587 /nfs/dbraw/zinc/92/55/87/823925587.db2.gz KPVGAAYWJXHORW-UHFFFAOYSA-N 1 0 393.487 4.243 20 0 GIADRO C[C@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000170648265 823926401 /nfs/dbraw/zinc/92/64/01/823926401.db2.gz HGKCOJSGUMOJBW-IAGOWNOFSA-N 1 0 397.519 4.013 20 0 GIADRO C[C@H](CC(=O)NC1CC([NH+]2CCCCC2)C1)c1ccc(F)c(Br)c1 ZINC000462330338 823926797 /nfs/dbraw/zinc/92/67/97/823926797.db2.gz DVXCANLOZPUNHO-IUDNXUCKSA-N 1 0 397.332 4.215 20 0 GIADRO COCC[C@H](C)C[NH2+][C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414200155 823926869 /nfs/dbraw/zinc/92/68/69/823926869.db2.gz LNANNVIXXPXXNJ-RYUDHWBXSA-N 1 0 380.838 4.338 20 0 GIADRO COc1ccc([C@H](CO)C[NH2+][C@@H](C)c2ccc(F)cc2Br)cc1 ZINC000414198978 823926986 /nfs/dbraw/zinc/92/69/86/823926986.db2.gz XATGYHFWWMXYCL-JSGCOSHPSA-N 1 0 382.273 4.024 20 0 GIADRO Fc1ccc(NC2CC[NH+](CCCc3nc(-c4ccccc4)no3)CC2)cc1 ZINC000170651145 823927053 /nfs/dbraw/zinc/92/70/53/823927053.db2.gz WPJIUWFHYKAJRA-UHFFFAOYSA-N 1 0 380.467 4.385 20 0 GIADRO COCC[C@H](C)C[NH2+][C@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414200150 823927148 /nfs/dbraw/zinc/92/71/48/823927148.db2.gz LNANNVIXXPXXNJ-NWDGAFQWSA-N 1 0 380.838 4.338 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H]2CCCc3ccc(O)cc32)c1 ZINC000414207922 823929144 /nfs/dbraw/zinc/92/91/44/823929144.db2.gz HYEYRTVKYKBDRS-LJQANCHMSA-N 1 0 379.909 4.006 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H]2CCCc3cc(OC)ccc32)c1 ZINC000414210767 823929811 /nfs/dbraw/zinc/92/98/11/823929811.db2.gz NDMWMWQPSGKDIR-FQEVSTJZSA-N 1 0 393.936 4.309 20 0 GIADRO O=C1C[C@H](C[NH2+][C@@H](Cc2cccc(F)c2)c2ccc(Cl)c(Cl)c2)CN1 ZINC000414212613 823930395 /nfs/dbraw/zinc/93/03/95/823930395.db2.gz WZXJNWORMZAWOG-ACJLOTCBSA-N 1 0 381.278 4.142 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H](c2cccnc2)C2CCC2)c1 ZINC000414214208 823930923 /nfs/dbraw/zinc/93/09/23/823930923.db2.gz VESXMWFDGCHZQA-IBGZPJMESA-N 1 0 378.925 4.160 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)CCCCC(=O)c1ccccc1 ZINC000126707226 823931926 /nfs/dbraw/zinc/93/19/26/823931926.db2.gz OHXWTSCAZWDNHC-UHFFFAOYSA-N 1 0 393.531 4.200 20 0 GIADRO CC[C@@H]([NH2+]CCc1nnc2n1CCCCC2)c1cccc(Br)c1 ZINC000126707518 823932105 /nfs/dbraw/zinc/93/21/05/823932105.db2.gz NJRNYKXPGXYATH-MRXNPFEDSA-N 1 0 377.330 4.050 20 0 GIADRO C[C@@H](SCC1CC[NH2+]CC1)c1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000575178218 823932278 /nfs/dbraw/zinc/93/22/78/823932278.db2.gz PYCIAZYKYBOAKP-LLVKDONJSA-N 1 0 375.519 4.451 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000126711575 823932832 /nfs/dbraw/zinc/93/28/32/823932832.db2.gz QKTLGGMIQDMRNH-LSDHHAIUSA-N 1 0 377.454 4.268 20 0 GIADRO CC(C)(C)[NH+]1CCC(NC(=O)Nc2c(F)cc(F)cc2Br)CC1 ZINC000192285036 823933204 /nfs/dbraw/zinc/93/32/04/823933204.db2.gz PMIZQYPYUQKVFF-UHFFFAOYSA-N 1 0 390.272 4.112 20 0 GIADRO c1cc(CCCN2CC[N@H+](CCCc3ccncc3)C3(CCCCC3)C2)ccn1 ZINC000462346577 823933891 /nfs/dbraw/zinc/93/38/91/823933891.db2.gz LLMHFSHBPDJPNJ-UHFFFAOYSA-N 1 0 392.591 4.363 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N[C@H](c1ccccc1)[C@@H]1CCCO1 ZINC000170676333 823934528 /nfs/dbraw/zinc/93/45/28/823934528.db2.gz JZIKCHKDQHWFOH-XZOQPEGZSA-N 1 0 393.531 4.002 20 0 GIADRO CS(=O)(=O)c1ccccc1C[NH2+][C@@H]1CCC[C@@H]1Cc1ccc(Cl)cc1 ZINC000414231466 823934472 /nfs/dbraw/zinc/93/44/72/823934472.db2.gz CDYKYQIGHIHEIY-VQIMIIECSA-N 1 0 377.937 4.245 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(-n2cncn2)cc1)c1ccc(Br)cc1F ZINC000126722001 823935882 /nfs/dbraw/zinc/93/58/82/823935882.db2.gz RGJUQYTVXJXCEX-LBPRGKRZSA-N 1 0 375.245 4.020 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@@H](C)c2ccc(SC)c(OC)c2)cn1 ZINC000414236577 823936232 /nfs/dbraw/zinc/93/62/32/823936232.db2.gz AKPXODAPLZUAMU-DKICVRJWSA-N 1 0 375.538 4.062 20 0 GIADRO COc1ccc([C@@H]2CCCC[C@@H]2[NH2+]Cc2ccccc2S(C)(=O)=O)cc1F ZINC000414238024 823936392 /nfs/dbraw/zinc/93/63/92/823936392.db2.gz LZLPHGPKPDFZPM-HKUYNNGSSA-N 1 0 391.508 4.054 20 0 GIADRO COc1ccc([C@H]2CCCC[C@H]2[NH2+]Cc2ccccc2S(C)(=O)=O)cc1F ZINC000414238026 823936722 /nfs/dbraw/zinc/93/67/22/823936722.db2.gz LZLPHGPKPDFZPM-IEBWSBKVSA-N 1 0 391.508 4.054 20 0 GIADRO Cc1csc(C2([NH2+]C[C@H](O)COCc3ccccc3Cl)CCCC2)n1 ZINC000126731774 823937529 /nfs/dbraw/zinc/93/75/29/823937529.db2.gz DKCHBEICXITUSG-INIZCTEOSA-N 1 0 380.941 4.042 20 0 GIADRO OCC1(c2ccccc2)CC[NH+](Cc2c[nH]nc2-c2cccc(Cl)c2)CC1 ZINC000575203137 823937859 /nfs/dbraw/zinc/93/78/59/823937859.db2.gz FMYGVFZOOVPBKL-UHFFFAOYSA-N 1 0 381.907 4.256 20 0 GIADRO O=C([C@H]1C[C@@H]1c1ccccc1Cl)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000575204105 823938032 /nfs/dbraw/zinc/93/80/32/823938032.db2.gz KCLXBQDQHUQKSR-YADHBBJMSA-N 1 0 394.946 4.493 20 0 GIADRO CC(C)[NH+]1CCC(NC(=O)N[C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)CC1 ZINC000575202927 823938111 /nfs/dbraw/zinc/93/81/11/823938111.db2.gz HYYQZDPWINJNCS-GOSISDBHSA-N 1 0 399.457 4.208 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCO[C@H]2c2cnn(CC)c2)cc1OCC ZINC000414242498 823938311 /nfs/dbraw/zinc/93/83/11/823938311.db2.gz IAQXUQAKMBSWHQ-TVTNDZMWSA-N 1 0 387.524 4.129 20 0 GIADRO Cc1ncsc1C[NH2+][C@@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1 ZINC000462356041 823938486 /nfs/dbraw/zinc/93/84/86/823938486.db2.gz CXTODRPOHLLUPB-MRXNPFEDSA-N 1 0 379.485 4.139 20 0 GIADRO Cc1csc(C2([NH2+]C[C@H](O)Cc3ccc(C(F)(F)F)cc3)CCCC2)n1 ZINC000126734768 823938706 /nfs/dbraw/zinc/93/87/06/823938706.db2.gz BKPAZKOWCAHXCB-MRXNPFEDSA-N 1 0 384.467 4.433 20 0 GIADRO O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000126737853 823938938 /nfs/dbraw/zinc/93/89/38/823938938.db2.gz KGQMCXQIHLZKED-GOSISDBHSA-N 1 0 376.460 4.197 20 0 GIADRO O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000126738103 823938974 /nfs/dbraw/zinc/93/89/74/823938974.db2.gz KGQMCXQIHLZKED-SFHVURJKSA-N 1 0 376.460 4.197 20 0 GIADRO C[NH+](C)Cc1ccccc1CNC(=O)c1cnc(-c2ccccc2Cl)s1 ZINC000065086533 823938931 /nfs/dbraw/zinc/93/89/31/823938931.db2.gz WXYCICYRYKUKQL-UHFFFAOYSA-N 1 0 385.920 4.455 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@H](C)c2cc(Br)ccc2F)cn1 ZINC000414245376 823939148 /nfs/dbraw/zinc/93/91/48/823939148.db2.gz MKAIRTIHDUGWIC-FHSNZYRGSA-N 1 0 396.304 4.233 20 0 GIADRO C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000192300565 823939427 /nfs/dbraw/zinc/93/94/27/823939427.db2.gz VBHIANWBBQGSBL-OFNKIYASSA-N 1 0 392.543 4.277 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@H](c2cccnc2)c2ccc(F)cc2F)cn1 ZINC000414246426 823939817 /nfs/dbraw/zinc/93/98/17/823939817.db2.gz NIYQSKBBUOMWOI-KNXBSLHKSA-N 1 0 398.457 4.033 20 0 GIADRO C[C@H]1CO[C@@H](c2ccccc2)CN1C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000192300582 823940037 /nfs/dbraw/zinc/94/00/37/823940037.db2.gz VBHIANWBBQGSBL-NZQKXSOJSA-N 1 0 392.543 4.277 20 0 GIADRO CN(c1ccc(NC(=O)CCc2cc(F)ccc2F)cc1)C1CC[NH+](C)CC1 ZINC000065089281 823940218 /nfs/dbraw/zinc/94/02/18/823940218.db2.gz YHTBGTACXSQUAK-UHFFFAOYSA-N 1 0 387.474 4.067 20 0 GIADRO Cc1cc(Cl)c2c(c1)[C@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)CCCO2 ZINC000126743616 823940435 /nfs/dbraw/zinc/94/04/35/823940435.db2.gz RMALYXMUOYSJGG-HXUWFJFHSA-N 1 0 386.923 4.396 20 0 GIADRO FC(F)(F)CN1CCC([NH2+]Cc2cc(Cl)cc(Br)c2)CC1 ZINC000414247955 823940437 /nfs/dbraw/zinc/94/04/37/823940437.db2.gz UNBXZLLLZJZDOG-UHFFFAOYSA-N 1 0 385.655 4.219 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@@H]2CCc3ccc(Br)cc32)cn1 ZINC000414250136 823940771 /nfs/dbraw/zinc/94/07/71/823940771.db2.gz QXLZGJVHPGJKTK-GDIGMMSISA-N 1 0 390.325 4.020 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@H](C)c2ccc(OCC(F)(F)F)cc2)cn1 ZINC000414254408 823942522 /nfs/dbraw/zinc/94/25/22/823942522.db2.gz UTEWXKHFGIMXOV-SIXWZSSISA-N 1 0 397.441 4.273 20 0 GIADRO Cn1cc(C(F)(F)F)nc1[C@@H]1CCC[N@H+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC000575217990 823942944 /nfs/dbraw/zinc/94/29/44/823942944.db2.gz LXMUACMRYLLQNJ-CYBMUJFWSA-N 1 0 399.844 4.407 20 0 GIADRO CSc1cc2c(cc1C[NH2+][C@H](C)COc1ccc(F)cc1F)OCCO2 ZINC000462366418 823943030 /nfs/dbraw/zinc/94/30/30/823943030.db2.gz SCMCCSJKCMAFLO-GFCCVEGCSA-N 1 0 381.444 4.015 20 0 GIADRO C[C@H](NC(=O)Nc1cc(Cl)c(N)c(Cl)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000192314210 823943665 /nfs/dbraw/zinc/94/36/65/823943665.db2.gz MJQLHVGQYZJRGU-RYUDHWBXSA-N 1 0 385.339 4.350 20 0 GIADRO C[NH+](C)CC(C)(C)CNC(=O)C(C)(C)c1csc(-c2cc(F)ccc2F)n1 ZINC000575220812 823944004 /nfs/dbraw/zinc/94/40/04/823944004.db2.gz ZYHHTGJJZWGGMG-UHFFFAOYSA-N 1 0 395.519 4.070 20 0 GIADRO CO[C@](C)(C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccccc1F ZINC000192321108 823945735 /nfs/dbraw/zinc/94/57/35/823945735.db2.gz ZHHXERWKJZCGBP-SBUREZEXSA-N 1 0 384.495 4.029 20 0 GIADRO O=C(c1cc2cc(Br)ccc2[nH]1)N1CCC([NH2+]C2CCCC2)CC1 ZINC000126767162 823945995 /nfs/dbraw/zinc/94/59/95/823945995.db2.gz CFZDPUNJDCRJPY-UHFFFAOYSA-N 1 0 390.325 4.067 20 0 GIADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)Nc1cccc(C(C)=O)c1 ZINC000170708480 823949315 /nfs/dbraw/zinc/94/93/15/823949315.db2.gz VZWVREDKFKETPN-NRFANRHFSA-N 1 0 395.503 4.113 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)Nc2cnn(-c3ccccc3)c2C(C)C)CC1 ZINC000192334545 823949965 /nfs/dbraw/zinc/94/99/65/823949965.db2.gz BQBYLLLUKHOJBH-UHFFFAOYSA-N 1 0 383.540 4.239 20 0 GIADRO COc1cc([C@@H](C)[NH2+]Cc2cn(-c3cccc(F)c3)nc2C)cc(OC)c1OC ZINC000414283518 823950886 /nfs/dbraw/zinc/95/08/86/823950886.db2.gz JIWUTSWKJOPQOK-CQSZACIVSA-N 1 0 399.466 4.196 20 0 GIADRO Cc1c([C@@H](C)[NH2+][C@@H]2CCN(C(=O)C3CCCC3)C2)cnn1-c1cc(C)ccc1C ZINC000126786429 823951039 /nfs/dbraw/zinc/95/10/39/823951039.db2.gz XPBNYEWPHLQDAN-WIYYLYMNSA-N 1 0 394.563 4.239 20 0 GIADRO Cc1cc(C[NH2+]Cc2cccc(CN3CCCC3=O)c2)ccc1C(F)(F)F ZINC000414290446 823951839 /nfs/dbraw/zinc/95/18/39/823951839.db2.gz SMNYDZKOUPYZMY-UHFFFAOYSA-N 1 0 376.422 4.426 20 0 GIADRO C[C@H](C[NH2+][C@@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1)CC(F)(F)F ZINC000414289872 823952002 /nfs/dbraw/zinc/95/20/02/823952002.db2.gz WINLDGYBCWKGCS-QWRGUYRKSA-N 1 0 386.336 4.480 20 0 GIADRO Cc1ccccc1C(=O)C(C(=S)Nc1ccc(Cl)nc1)[n+]1ccccc1 ZINC000170715548 823952340 /nfs/dbraw/zinc/95/23/40/823952340.db2.gz IZVBIXSSDZEEPF-UHFFFAOYSA-O 1 0 382.896 4.382 20 0 GIADRO CC(C)[C@H](C)NC(=O)C1CC[NH+](Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000126793275 823952438 /nfs/dbraw/zinc/95/24/38/823952438.db2.gz LZYKEKZHDSLOBA-HNNXBMFYSA-N 1 0 388.943 4.103 20 0 GIADRO COCC1CCC([NH2+][C@@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000414311416 823955844 /nfs/dbraw/zinc/95/58/44/823955844.db2.gz MTWPIAWLHUMNAV-NFOMZHRRSA-N 1 0 388.430 4.097 20 0 GIADRO CCN(CC)c1ccc(C[NH2+][C@H](C)c2ccc(OC(F)F)c(OC)c2)cn1 ZINC000126806071 823955807 /nfs/dbraw/zinc/95/58/07/823955807.db2.gz PPORHMXYQSOZIS-CQSZACIVSA-N 1 0 379.451 4.389 20 0 GIADRO O=C1CC[C@H](c2cccc(NC3CC[NH+](Cc4ccc(Cl)cc4)CC3)c2)N1 ZINC000414314828 823956283 /nfs/dbraw/zinc/95/62/83/823956283.db2.gz LRBGJJKZIBMPML-OAQYLSRUSA-N 1 0 383.923 4.368 20 0 GIADRO FC(F)SCc1ccc(CNC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)o1 ZINC000192355133 823957121 /nfs/dbraw/zinc/95/71/21/823957121.db2.gz PSFFNGFJUDYRNO-LJQANCHMSA-N 1 0 396.503 4.116 20 0 GIADRO CC[C@@H]([NH2+]Cc1cn(-c2cccc(F)c2)nc1C)c1ccc2c(c1)OCCO2 ZINC000414322125 823958417 /nfs/dbraw/zinc/95/84/17/823958417.db2.gz UVWRUDOYSAYQEC-HXUWFJFHSA-N 1 0 381.451 4.332 20 0 GIADRO CC(C)(C)[C@@H]1CC[N@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C[C@@H]1O ZINC000575338157 823958666 /nfs/dbraw/zinc/95/86/66/823958666.db2.gz MHSQKTSBGDDWAO-CTNGQTDRSA-N 1 0 382.552 4.289 20 0 GIADRO Cc1cccc([C@H]([NH2+]CC2(CS(C)(=O)=O)CCC2)c2cccc(F)c2)c1 ZINC000414325565 823958673 /nfs/dbraw/zinc/95/86/73/823958673.db2.gz KJXBQBDLCTVHAK-FQEVSTJZSA-N 1 0 375.509 4.028 20 0 GIADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2cccc(-c3csc(C)n3)c2)cc1 ZINC000575337559 823958833 /nfs/dbraw/zinc/95/88/33/823958833.db2.gz WYOAXICLEOTNFP-FQEVSTJZSA-N 1 0 395.528 4.160 20 0 GIADRO CC[C@@H](C)[C@H]([NH2+]Cc1ccc(COC)o1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000126824122 823960048 /nfs/dbraw/zinc/96/00/48/823960048.db2.gz LAFGZIQYCBQNEX-VGSWGCGISA-N 1 0 399.535 4.169 20 0 GIADRO C[C@@H](CS(C)(=O)=O)[NH2+]Cc1oc2ccc(Cl)cc2c1-c1ccccc1 ZINC000414334923 823960274 /nfs/dbraw/zinc/96/02/74/823960274.db2.gz UVRXIDXRKSOSCK-ZDUSSCGKSA-N 1 0 377.893 4.276 20 0 GIADRO C[C@H]1[C@H](NC(=O)Nc2cccc(OC(F)F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000575351804 823960378 /nfs/dbraw/zinc/96/03/78/823960378.db2.gz ZVWRCKIDUMBWRH-KBXCAEBGSA-N 1 0 375.419 4.073 20 0 GIADRO Cc1ccc(NC(=O)C[NH2+][C@@H]2CCCc3c(O)cccc32)c(Br)c1 ZINC000192368196 823960843 /nfs/dbraw/zinc/96/08/43/823960843.db2.gz GCLLGZNJYIFUGL-MRXNPFEDSA-N 1 0 389.293 4.069 20 0 GIADRO CC[C@@H]([NH2+]C[C@@H]1C[C@H]1c1cccc(OC)c1)c1ccccc1OCC(=O)N(C)C ZINC000414338361 823960892 /nfs/dbraw/zinc/96/08/92/823960892.db2.gz KHZLGMOFKBBNOF-YUXAGFNASA-N 1 0 396.531 4.007 20 0 GIADRO COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H](C)Cc1cn(C)c2ccc(F)cc12 ZINC000414335999 823960903 /nfs/dbraw/zinc/96/09/03/823960903.db2.gz CLJODFCHLFCMTC-CVEARBPZSA-N 1 0 397.494 4.264 20 0 GIADRO COc1ccc2c(c1F)CC[C@@H]2[NH2+]Cc1ccc(COC2CCOCC2)cc1 ZINC000575356630 823961305 /nfs/dbraw/zinc/96/13/05/823961305.db2.gz MZXDUJPACBBTDY-NRFANRHFSA-N 1 0 385.479 4.307 20 0 GIADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(Cc2cccc(C(=O)N3CCCCC3)c2)C1 ZINC000575359514 823961466 /nfs/dbraw/zinc/96/14/66/823961466.db2.gz MDAAMEZJKICUEV-MZKRTTBSSA-N 1 0 383.580 4.150 20 0 GIADRO C[C@@H]([NH2+]C[C@@H]1CCCN(Cc2cccs2)C1)c1cccc(N2CCOC2=O)c1 ZINC000126830398 823961487 /nfs/dbraw/zinc/96/14/87/823961487.db2.gz KVHUEBYFLGQLOI-MSOLQXFVSA-N 1 0 399.560 4.268 20 0 GIADRO Cc1cc([C@H](C)[NH2+]C2CCN(Cc3cccc(Br)c3)CC2)no1 ZINC000414345091 823961944 /nfs/dbraw/zinc/96/19/44/823961944.db2.gz DCYXWMOISBSJOL-AWEZNQCLSA-N 1 0 378.314 4.061 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)CCc1cncc2ccccc21)c1ccccc1 ZINC000462410148 823964131 /nfs/dbraw/zinc/96/41/31/823964131.db2.gz NSAROOUAKKIFLM-QHCPKHFHSA-N 1 0 375.516 4.367 20 0 GIADRO O=C(C[C@H]1CN(Cc2ccccc2)CCO1)Nc1ccc(Cl)cc1Cl ZINC000575371346 823964304 /nfs/dbraw/zinc/96/43/04/823964304.db2.gz HFTSBIHDVUAOIJ-INIZCTEOSA-N 1 0 379.287 4.223 20 0 GIADRO Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)CC[NH+](C)C ZINC000170768134 823965905 /nfs/dbraw/zinc/96/59/05/823965905.db2.gz GULAVQRMIWNCII-UHFFFAOYSA-N 1 0 393.409 4.156 20 0 GIADRO CSC1(CNC(=O)N(C)Cc2ccccc2-c2ccccc2)CC[NH+](C)CC1 ZINC000575378321 823966035 /nfs/dbraw/zinc/96/60/35/823966035.db2.gz MNLYBSMQSLTQCS-UHFFFAOYSA-N 1 0 397.588 4.322 20 0 GIADRO O=C(CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1)N[C@@H](c1cccs1)c1ccccc1 ZINC000575398418 823966300 /nfs/dbraw/zinc/96/63/00/823966300.db2.gz LYQQKSAOWMZHMU-TXTKFYIRSA-N 1 0 398.572 4.235 20 0 GIADRO Cc1nn(-c2cccc(F)c2)cc1C[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000414364958 823966501 /nfs/dbraw/zinc/96/65/01/823966501.db2.gz NIZFKYGHTNWFNM-UHFFFAOYSA-N 1 0 398.448 4.074 20 0 GIADRO Cc1cc(C[NH+]2CCC(C(=O)N3CCC(C)CC3)CC2)ccc1C(F)(F)F ZINC000414369032 823967003 /nfs/dbraw/zinc/96/70/03/823967003.db2.gz HRYKCLPGKJTGGJ-UHFFFAOYSA-N 1 0 382.470 4.484 20 0 GIADRO Cc1cc(C(=O)NC2CC[NH+](CCCOc3cccc(Cl)c3)CC2)c(C)o1 ZINC000170775521 823967518 /nfs/dbraw/zinc/96/75/18/823967518.db2.gz YGMREXIFXXRWBF-UHFFFAOYSA-N 1 0 390.911 4.213 20 0 GIADRO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2Cl)cn1 ZINC000126856072 823967520 /nfs/dbraw/zinc/96/75/20/823967520.db2.gz YCGOMBIDJQPQLA-HNNXBMFYSA-N 1 0 384.915 4.013 20 0 GIADRO CSc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(CN3CCOCC3)cc1)CCC2 ZINC000575401185 823967617 /nfs/dbraw/zinc/96/76/17/823967617.db2.gz MOMNWYFXYQTLOI-HSZRJFAPSA-N 1 0 382.573 4.408 20 0 GIADRO Cc1nn(-c2cccc(F)c2)cc1C[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000414374091 823968064 /nfs/dbraw/zinc/96/80/64/823968064.db2.gz UUIVDNTVKIEKOX-UHFFFAOYSA-N 1 0 392.478 4.171 20 0 GIADRO COCc1cc([C@H](C)[NH2+]C[C@@H]2CCCN(Cc3cccs3)C2)ccc1OC ZINC000126857953 823968094 /nfs/dbraw/zinc/96/80/94/823968094.db2.gz ONTNDNIXOXVWQT-ROUUACIJSA-N 1 0 388.577 4.466 20 0 GIADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H](c2cccc(F)c2)C2CCCC2)cc1Cl ZINC000414379590 823969945 /nfs/dbraw/zinc/96/99/45/823969945.db2.gz NBCXNABRKMTPBM-LJQANCHMSA-N 1 0 396.915 4.148 20 0 GIADRO Cc1cc(C[NH+]2CCC(NC(=O)c3ccsc3)CC2)ccc1C(F)(F)F ZINC000414383484 823970263 /nfs/dbraw/zinc/97/02/63/823970263.db2.gz RTWHNPULYOQJRC-UHFFFAOYSA-N 1 0 382.451 4.470 20 0 GIADRO COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+]Cc1csc(Cc2ccccc2)n1 ZINC000575441425 823971227 /nfs/dbraw/zinc/97/12/27/823971227.db2.gz AZDCISCHBQCBTF-LAUBAEHRSA-N 1 0 394.540 4.244 20 0 GIADRO COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1ccc(OCc2nccn2C)cc1 ZINC000170785712 823971394 /nfs/dbraw/zinc/97/13/94/823971394.db2.gz KBVNBDFNCHSCOD-NRFANRHFSA-N 1 0 377.488 4.345 20 0 GIADRO COC(=O)[C@@H](Cc1ccccc1)[C@H](C)[NH2+]Cc1csc(Cc2ccccc2)n1 ZINC000575441427 823971513 /nfs/dbraw/zinc/97/15/13/823971513.db2.gz AZDCISCHBQCBTF-UWJYYQICSA-N 1 0 394.540 4.244 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1)c1cccc(O)c1 ZINC000575473040 823973221 /nfs/dbraw/zinc/97/32/21/823973221.db2.gz YSWKXVMMMYDABN-CGTJXYLNSA-N 1 0 378.472 4.040 20 0 GIADRO Fc1ccccc1-c1ncc(C[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)s1 ZINC000575477115 823973630 /nfs/dbraw/zinc/97/36/30/823973630.db2.gz XVNCKPMSIXVHOA-AWEZNQCLSA-N 1 0 383.496 4.324 20 0 GIADRO Cc1nn2c(C[N@H+](C[C@@H](C)c3ccccc3)[C@@H](C)CO)c(C(C)C)nc2s1 ZINC000575600549 823978792 /nfs/dbraw/zinc/97/87/92/823978792.db2.gz VTVPFIRZVSAZAB-CVEARBPZSA-N 1 0 386.565 4.209 20 0 GIADRO CCn1nc(C)c(CNc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)c1C ZINC000126911202 823978822 /nfs/dbraw/zinc/97/88/22/823978822.db2.gz JMOBZWDCFWQQPR-UHFFFAOYSA-N 1 0 397.567 4.337 20 0 GIADRO CSc1ccc(CN(C)C(=O)C[NH+]2CCC(OC3CCCCC3)CC2)cc1 ZINC000126914408 823979590 /nfs/dbraw/zinc/97/95/90/823979590.db2.gz OGXXHENMULMAGA-UHFFFAOYSA-N 1 0 390.593 4.181 20 0 GIADRO CCc1ncc(C[NH2+][C@@H](Cc2ccccn2)c2ccc(Br)cc2)cn1 ZINC000414432591 823984482 /nfs/dbraw/zinc/98/44/82/823984482.db2.gz JGSYURPAPULABP-IBGZPJMESA-N 1 0 397.320 4.270 20 0 GIADRO COc1ccccc1-c1csc([C@H]2CCC[N@H+](Cc3cccnc3N)C2)n1 ZINC000575750792 823985798 /nfs/dbraw/zinc/98/57/98/823985798.db2.gz SWJAWTUPVLPSMB-INIZCTEOSA-N 1 0 380.517 4.176 20 0 GIADRO Cc1cc(C)n(-c2ccc(C[N@H+](Cc3ccc(-n4cncn4)cc3)C3CC3)cc2)n1 ZINC000575765144 823988746 /nfs/dbraw/zinc/98/87/46/823988746.db2.gz CVEAYAVSUDUXJE-UHFFFAOYSA-N 1 0 398.514 4.234 20 0 GIADRO CC(C)(C)c1nn(-c2ccccc2)cc1C[NH+]1CCC(c2ccncn2)CC1 ZINC000414470223 823990676 /nfs/dbraw/zinc/99/06/76/823990676.db2.gz LLZMCYGAFIUIRD-UHFFFAOYSA-N 1 0 375.520 4.339 20 0 GIADRO O=C(Nc1cccc(C[N@@H+]2CCCO[C@H](CF)C2)c1)c1ccccc1Cl ZINC000414480112 823991884 /nfs/dbraw/zinc/99/18/84/823991884.db2.gz SYIQWTSIITVOAD-QGZVFWFLSA-N 1 0 376.859 4.153 20 0 GIADRO Cc1ccc(C[NH2+]Cc2ccccc2OCC(=O)NCC2CC2)c2ccccc12 ZINC000414482081 823992490 /nfs/dbraw/zinc/99/24/90/823992490.db2.gz MHVNXNHJUHDYSY-UHFFFAOYSA-N 1 0 388.511 4.343 20 0 GIADRO CCOc1ccc(Oc2cc(C[NH2+]C3CCC(C(=O)OC)CC3)ccn2)cc1 ZINC000192439733 823993672 /nfs/dbraw/zinc/99/36/72/823993672.db2.gz YIACABIMWJHUTG-UHFFFAOYSA-N 1 0 384.476 4.094 20 0 GIADRO COC(=O)C1CCC([NH2+]CC2(c3cccc(C(F)(F)F)c3)CCOCC2)CC1 ZINC000192440125 823994027 /nfs/dbraw/zinc/99/40/27/823994027.db2.gz FJDBKFBHFBIETO-UHFFFAOYSA-N 1 0 399.453 4.075 20 0 GIADRO CC[C@@H](CCO)C[NH2+][C@@H](C)c1ccc(Br)cc1Br ZINC000126986248 823995026 /nfs/dbraw/zinc/99/50/26/823995026.db2.gz RVWADLYNTIMXIN-QWRGUYRKSA-N 1 0 379.136 4.271 20 0 GIADRO COc1cccc2c1CC[C@H]([NH2+]CC1(N[C@H](C)c3ccccc3)CCOCC1)C2 ZINC000192443157 823995278 /nfs/dbraw/zinc/99/52/78/823995278.db2.gz DYODYQOABSQLIB-KNQAVFIVSA-N 1 0 394.559 4.042 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]Cc2ccc(SC)c(OC)c2)c1 ZINC000414497256 823995292 /nfs/dbraw/zinc/99/52/92/823995292.db2.gz SFCVNQBKFREGIN-UHFFFAOYSA-N 1 0 399.965 4.154 20 0 GIADRO CC(=O)c1ccc(Oc2ccc(C(=O)N[C@@H]3CCC[C@@H]([NH+](C)C)C3)cc2)cc1 ZINC000126989241 823995327 /nfs/dbraw/zinc/99/53/27/823995327.db2.gz OMIYDYNEMLHUSU-WOJBJXKFSA-N 1 0 380.488 4.284 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]Cc2ccc3nc(C)ccc3c2)c1 ZINC000414497897 823995728 /nfs/dbraw/zinc/99/57/28/823995728.db2.gz VCBQFBSBMCANFL-UHFFFAOYSA-N 1 0 388.920 4.280 20 0 GIADRO CCOc1cc(C[NH2+][C@@H](CC)c2ccccc2)ccc1O[C@H](C)C(=O)N(C)C ZINC000414497860 823995793 /nfs/dbraw/zinc/99/57/93/823995793.db2.gz UVEURFANWWJYHO-XLIONFOSSA-N 1 0 384.520 4.182 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H]2CS[C@@H](C(C)(C)C)C2)c1 ZINC000414497877 823995836 /nfs/dbraw/zinc/99/58/36/823995836.db2.gz VAVPBSUUQKHJEX-GOEBONIOSA-N 1 0 375.987 4.143 20 0 GIADRO CO[C@](C)([C@@H](C)[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1)C1CC1 ZINC000414499076 823995942 /nfs/dbraw/zinc/99/59/42/823995942.db2.gz JEZZIIDXFOMSRP-KZULUSFZSA-N 1 0 378.314 4.132 20 0 GIADRO CC1(C)Cc2cc(C[NH2+]Cc3ccc(COC4CCOCC4)cc3)ccc2O1 ZINC000126993453 823996552 /nfs/dbraw/zinc/99/65/52/823996552.db2.gz VYSLBNSJMLGOHY-UHFFFAOYSA-N 1 0 381.516 4.386 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+]Cc2ccc(Br)c(Cl)c2)cn1 ZINC000414501379 823996577 /nfs/dbraw/zinc/99/65/77/823996577.db2.gz GZPXYQDYLHUTBJ-SUMWQHHRSA-N 1 0 398.732 4.186 20 0 GIADRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2c(F)cc(C(F)(F)F)cc2F)C1 ZINC000575790548 823997110 /nfs/dbraw/zinc/99/71/10/823997110.db2.gz NVNCNJXIFGGJLH-LBPRGKRZSA-N 1 0 378.385 4.226 20 0 GIADRO CCOc1c(OC)cc(C[NH2+][C@@H](C)c2ccc(F)cc2N(C)C)cc1OC ZINC000126996649 823997310 /nfs/dbraw/zinc/99/73/10/823997310.db2.gz VIHZHYWLGJLUEA-AWEZNQCLSA-N 1 0 376.472 4.158 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+]Cc2c(Cl)cc(Cl)cc2N(C)C)cn1 ZINC000414505908 823997560 /nfs/dbraw/zinc/99/75/60/823997560.db2.gz ROXLPVHUCUGOMH-ORAYPTAESA-N 1 0 397.350 4.143 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@@H](C)COc2ccc(Cl)c(Cl)c2)cn1 ZINC000414507903 823997984 /nfs/dbraw/zinc/99/79/84/823997984.db2.gz XBALLXUQYYOHSV-CKFHNAJUSA-N 1 0 398.334 4.345 20 0 GIADRO C[C@H](C[N@@H+]1C[C@@H](c2ccccc2)C2(CCC2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000414512004 823998805 /nfs/dbraw/zinc/99/88/05/823998805.db2.gz LZCJBSGHPXZSNN-GCJKJVERSA-N 1 0 383.557 4.463 20 0 GIADRO OC[C@H](C[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1)c1ccc(F)cc1 ZINC000414519478 824000401 /nfs/dbraw/zinc/00/04/01/824000401.db2.gz CJODIFDHGJEQNY-IBGZPJMESA-N 1 0 394.494 4.065 20 0 GIADRO OCC1([C@@H]([NH2+]Cc2cccc(-c3cccnc3)c2)c2ccccc2)CCOCC1 ZINC000414522152 824000912 /nfs/dbraw/zinc/00/09/12/824000912.db2.gz AXJVARRFNHIDFJ-DEOSSOPVSA-N 1 0 388.511 4.369 20 0 GIADRO CC(C)Sc1ccccc1NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000127024873 824002721 /nfs/dbraw/zinc/00/27/21/824002721.db2.gz SCJXWWXSOAGUKT-MOPGFXCFSA-N 1 0 391.581 4.077 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000192469589 824003369 /nfs/dbraw/zinc/00/33/69/824003369.db2.gz GIBSDFWCXHSIMZ-CVEARBPZSA-N 1 0 392.341 4.028 20 0 GIADRO CCOC(=O)c1nc(SCC[N@H+](C)Cc2ccccc2)cc(C(C)(C)C)n1 ZINC000575824431 824003813 /nfs/dbraw/zinc/00/38/13/824003813.db2.gz WTKSAJFRZGPEMV-UHFFFAOYSA-N 1 0 387.549 4.175 20 0 GIADRO O=C(Nc1cccc(C[NH2+][C@H]2CCCC(F)(F)[C@@H]2O)c1)c1ccccc1Cl ZINC000414534411 824003895 /nfs/dbraw/zinc/00/38/95/824003895.db2.gz JYVPLKPMFAFHQX-ZWKOTPCHSA-N 1 0 394.849 4.231 20 0 GIADRO Cc1oc(-c2ccsc2)nc1CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000575827980 824005452 /nfs/dbraw/zinc/00/54/52/824005452.db2.gz BRJWFPOAKAEWQC-HNAYVOBHSA-N 1 0 395.528 4.033 20 0 GIADRO CCOc1c(OC)cc(C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)cc1OC ZINC000414540663 824005943 /nfs/dbraw/zinc/00/59/43/824005943.db2.gz BZHBGGMUNCSUED-HSZRJFAPSA-N 1 0 397.515 4.456 20 0 GIADRO OCC1([C@H]([NH2+]Cc2cccc(-c3ccncc3)c2)c2ccccc2)CCOCC1 ZINC000414544360 824006752 /nfs/dbraw/zinc/00/67/52/824006752.db2.gz UPJKZOJYZIKVGE-XMMPIXPASA-N 1 0 388.511 4.369 20 0 GIADRO Cc1ccccc1OCCCC(=O)Nc1ccc(C[NH2+][C@H]2CCOC[C@@H]2C)cc1 ZINC000192478830 824006916 /nfs/dbraw/zinc/00/69/16/824006916.db2.gz HZHWGGYJLOMUBT-UGKGYDQZSA-N 1 0 396.531 4.307 20 0 GIADRO C[NH+](C)C[C@H]1CCN(C(=O)Nc2cc(Cl)ccc2SCC(F)(F)F)C1 ZINC000127050023 824007155 /nfs/dbraw/zinc/00/71/55/824007155.db2.gz YCEAHVHJPXMZLZ-LLVKDONJSA-N 1 0 395.878 4.410 20 0 GIADRO CC(C)[C@@H]1[N@H+](Cc2nc3cc(C(F)(F)F)ccc3n2C)CC12CCOCC2 ZINC000414545615 824007279 /nfs/dbraw/zinc/00/72/79/824007279.db2.gz WZISXZDLFOGVLI-SFHVURJKSA-N 1 0 381.442 4.229 20 0 GIADRO CSc1ccccc1OC[C@H](O)C[N@H+](Cc1cnn(C(C)(C)C)c1)C(C)C ZINC000414551776 824009477 /nfs/dbraw/zinc/00/94/77/824009477.db2.gz KBJYATUPUAEVGI-GOSISDBHSA-N 1 0 391.581 4.010 20 0 GIADRO COc1cc(-c2ccccc2)ccc1C[N@@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000414550495 824009827 /nfs/dbraw/zinc/00/98/27/824009827.db2.gz NHHWHAYMONKSDS-QFIPXVFZSA-N 1 0 378.516 4.339 20 0 GIADRO Fc1ccc(-n2cc(C[N@@H+]3CC4(CCOCC4)[C@@H]3c3ccccc3)cn2)cc1 ZINC000414552513 824010115 /nfs/dbraw/zinc/01/01/15/824010115.db2.gz KJIUZTXMTHCNFR-QFIPXVFZSA-N 1 0 377.463 4.365 20 0 GIADRO COc1ccccc1-c1ncc(C[N@@H+]2CCC[C@H](Oc3ccccc3)C2)cn1 ZINC000414553276 824010323 /nfs/dbraw/zinc/01/03/23/824010323.db2.gz KVGMEDRCVFQCCR-FQEVSTJZSA-N 1 0 375.472 4.196 20 0 GIADRO COc1ccc(OCc2nc(C[NH2+]CC(C)(C)c3cccnc3)cs2)cc1 ZINC000414553452 824010687 /nfs/dbraw/zinc/01/06/87/824010687.db2.gz FRIKBDRCXWMTSP-UHFFFAOYSA-N 1 0 383.517 4.193 20 0 GIADRO C[C@@H]([NH2+]C1(CNC(=O)c2cnc([C@@H]3CCCO3)s2)CCCC1)c1ccccc1 ZINC000127073700 824011918 /nfs/dbraw/zinc/01/19/18/824011918.db2.gz ZFQVGZPTRDCZLE-AEFFLSMTSA-N 1 0 399.560 4.388 20 0 GIADRO Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000192499975 824011963 /nfs/dbraw/zinc/01/19/63/824011963.db2.gz JZNVFGLPNZMAFO-UHFFFAOYSA-N 1 0 380.536 4.291 20 0 GIADRO COCCOc1ccc(C[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)cc1OC ZINC000414558384 824012028 /nfs/dbraw/zinc/01/20/28/824012028.db2.gz ORPWQBOALWXYPJ-QHCPKHFHSA-N 1 0 397.515 4.074 20 0 GIADRO COc1ccc2oc([C@H](C)NC(=O)N3CCC([C@@H]4[NH2+]CC4(C)C)CC3)c(C)c2c1 ZINC000575852959 824012304 /nfs/dbraw/zinc/01/23/04/824012304.db2.gz QMPOMMKGEYTSCO-BTYIYWSLSA-N 1 0 399.535 4.230 20 0 GIADRO C[C@@H]1CCCC[C@H]1OCC[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000127077618 824012944 /nfs/dbraw/zinc/01/29/44/824012944.db2.gz JNVHJJUFMUNJDY-OXQOHEQNSA-N 1 0 378.944 4.130 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000192503123 824013230 /nfs/dbraw/zinc/01/32/30/824013230.db2.gz SHRKRLFTJZKJON-OAHLLOKOSA-N 1 0 383.561 4.479 20 0 GIADRO C[C@H](CC(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccc(F)cc1 ZINC000127081098 824013481 /nfs/dbraw/zinc/01/34/81/824013481.db2.gz IOMKPIFZXNSGMO-QGZVFWFLSA-N 1 0 384.495 4.162 20 0 GIADRO CCCOc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)cc1 ZINC000575856245 824013615 /nfs/dbraw/zinc/01/36/15/824013615.db2.gz QOASURYTRAOBBV-NVXWUHKLSA-N 1 0 386.458 4.460 20 0 GIADRO O=C(C[NH2+][C@@H](c1ccccc1)C1CC1)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000192504970 824013951 /nfs/dbraw/zinc/01/39/51/824013951.db2.gz LVHMTHYVTWWODD-XXBNENTESA-N 1 0 389.455 4.291 20 0 GIADRO Fc1ccc(Cn2cc(C[N@@H+]3CC4(CCOCC4)[C@@H]3c3ccccc3)cn2)cc1 ZINC000414569755 824014447 /nfs/dbraw/zinc/01/44/47/824014447.db2.gz ZSZDJCTXDNRDIZ-QHCPKHFHSA-N 1 0 391.490 4.424 20 0 GIADRO COc1ccc(NC(=O)C[N@H+](CC(C)C)[C@@H]2CCCc3cccnc32)c(OC)c1 ZINC000127089737 824015022 /nfs/dbraw/zinc/01/50/22/824015022.db2.gz XSYDZZJULZOTBI-HXUWFJFHSA-N 1 0 397.519 4.073 20 0 GIADRO COCCC1(C)CN(C(=O)Nc2ccc(SCC[NH+]3CCCCC3)cc2)C1 ZINC000575866392 824015981 /nfs/dbraw/zinc/01/59/81/824015981.db2.gz OLFYSUFMBKEBGG-UHFFFAOYSA-N 1 0 391.581 4.155 20 0 GIADRO Cc1cc(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c(C)n1[C@@H](C)c1ccccc1 ZINC000127098753 824016995 /nfs/dbraw/zinc/01/69/95/824016995.db2.gz RFCUWEPUCURNRK-FPOVZHCZSA-N 1 0 379.548 4.272 20 0 GIADRO c1ccc(COc2ccccc2-c2noc(CSC3CC[NH2+]CC3)n2)cc1 ZINC000414626401 824018669 /nfs/dbraw/zinc/01/86/69/824018669.db2.gz QGWCIXUMGLROQB-UHFFFAOYSA-N 1 0 381.501 4.301 20 0 GIADRO O=C(Nc1ccc2nc(-c3ccc(F)cc3)oc2c1)C1CC[NH+](C2CC2)CC1 ZINC000192524845 824019716 /nfs/dbraw/zinc/01/97/16/824019716.db2.gz SGJDJKUEIPRKAN-UHFFFAOYSA-N 1 0 379.435 4.447 20 0 GIADRO CC[C@H](C)c1ccc([C@H](NC(=O)C(=O)Nc2ccc(C[NH3+])cc2)C(C)C)cc1 ZINC000414656950 824021057 /nfs/dbraw/zinc/02/10/57/824021057.db2.gz GTLQUOGGUHFKRL-HRAATJIYSA-N 1 0 381.520 4.111 20 0 GIADRO C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[NH+]1CCC(c2ccncn2)CC1 ZINC000575891428 824021719 /nfs/dbraw/zinc/02/17/19/824021719.db2.gz MLYNCRYBNADRTF-ZWKOTPCHSA-N 1 0 388.515 4.075 20 0 GIADRO CC(C)[C@@H](NC(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1)c1ccc(C(C)(C)C)cc1 ZINC000414668474 824022193 /nfs/dbraw/zinc/02/21/93/824022193.db2.gz IWFHVBGTBGYMSM-IIBYNOLFSA-N 1 0 395.547 4.456 20 0 GIADRO CCOc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c(F)c1 ZINC000575898567 824023213 /nfs/dbraw/zinc/02/32/13/824023213.db2.gz JDBZRGSPVKLZNC-LIRRHRJNSA-N 1 0 391.512 4.491 20 0 GIADRO CC(C)(CCC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccccc1 ZINC000575897380 824023403 /nfs/dbraw/zinc/02/34/03/824023403.db2.gz PUZMGXWPVILGBP-HSZRJFAPSA-N 1 0 394.559 4.018 20 0 GIADRO CCC[C@@H](NC(=O)C[NH2+]C1(c2ccc(F)cc2)CCOCC1)c1ccccc1 ZINC000170971414 824023520 /nfs/dbraw/zinc/02/35/20/824023520.db2.gz IFSQNGZZKIVKKS-OAQYLSRUSA-N 1 0 384.495 4.079 20 0 GIADRO CCCOc1ccc(C(F)(F)F)cc1NC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000414695357 824024595 /nfs/dbraw/zinc/02/45/95/824024595.db2.gz AIEKSPIIDMOXMO-UHFFFAOYSA-N 1 0 399.457 4.492 20 0 GIADRO Cc1cccc(Oc2ccc(NC(=O)N3C[C@H](C[NH3+])C4(C3)CCOCC4)cc2)c1 ZINC000414711336 824025611 /nfs/dbraw/zinc/02/56/11/824025611.db2.gz HOVZQQKWKGXMMU-SFHVURJKSA-N 1 0 395.503 4.007 20 0 GIADRO C[C@@H](c1ccncc1)N(C)C(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000127143166 824025985 /nfs/dbraw/zinc/02/59/85/824025985.db2.gz WCQRMAVTUBJALO-AQNXPRMDSA-N 1 0 394.563 4.462 20 0 GIADRO Cc1cccc(Oc2ccccc2NC(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000414721249 824026549 /nfs/dbraw/zinc/02/65/49/824026549.db2.gz BNMTYPXJHPDJQQ-SFHVURJKSA-N 1 0 395.503 4.007 20 0 GIADRO COCc1ccc(NC(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000192544512 824026743 /nfs/dbraw/zinc/02/67/43/824026743.db2.gz UTRKLVMQLWZPRE-QZTJIDSGSA-N 1 0 381.520 4.111 20 0 GIADRO CCN(C(=O)C[NH2+][C@H](c1ccccc1)C(C)(C)CO)[C@@H](C)c1ccc(F)cc1 ZINC000575910224 824027033 /nfs/dbraw/zinc/02/70/33/824027033.db2.gz MKOLIVDPRWMVOI-HTAPYJJXSA-N 1 0 386.511 4.085 20 0 GIADRO CCOc1ccc(Oc2ccccc2NC(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000414722275 824027121 /nfs/dbraw/zinc/02/71/21/824027121.db2.gz FBVPYABKONTQFE-DLBZAZTESA-N 1 0 383.492 4.469 20 0 GIADRO CCCCNC(=O)c1ccc(C[NH2+]Cc2cc(O)cc(C(F)(F)F)c2)cc1 ZINC000575910128 824027102 /nfs/dbraw/zinc/02/71/02/824027102.db2.gz IMKMWQITQPRKRR-UHFFFAOYSA-N 1 0 380.410 4.231 20 0 GIADRO C[NH+](C)C[C@H]1CCN(C(=O)Nc2ccccc2Oc2cc(F)cc(F)c2)C1 ZINC000127151236 824027337 /nfs/dbraw/zinc/02/73/37/824027337.db2.gz YPTMXEWOKJRMHY-CQSZACIVSA-N 1 0 375.419 4.173 20 0 GIADRO COc1ccc(Oc2ccc(Cl)cc2NC(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000414723193 824027465 /nfs/dbraw/zinc/02/74/65/824027465.db2.gz HQGREZISSVDEOC-KGLIPLIRSA-N 1 0 389.883 4.342 20 0 GIADRO C[NH2+]C[C@@H]1CCCN1C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000414723918 824027563 /nfs/dbraw/zinc/02/75/63/824027563.db2.gz DEJFKSFFOPMPIB-KRWDZBQOSA-N 1 0 380.517 4.103 20 0 GIADRO CC[NH2+]Cc1cccc(NC(=O)C(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)c1 ZINC000414725049 824027899 /nfs/dbraw/zinc/02/78/99/824027899.db2.gz LGSZTJLHWPCWSH-UHFFFAOYSA-N 1 0 393.531 4.049 20 0 GIADRO [NH3+]C[C@@H]1CCN(C(=O)Nc2cc(Cl)ccc2Sc2ccc(F)cc2)C1 ZINC000414724094 824027934 /nfs/dbraw/zinc/02/79/34/824027934.db2.gz DPIQEXPAXMPTOJ-LBPRGKRZSA-N 1 0 379.888 4.443 20 0 GIADRO CN(CC(C)(C)C[NH3+])C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000414726399 824028299 /nfs/dbraw/zinc/02/82/99/824028299.db2.gz LCZUCHSZZDPSMM-UHFFFAOYSA-N 1 0 382.533 4.336 20 0 GIADRO Cc1cccc(Oc2ccc(Cl)cc2NC(=O)N2CCCO[C@H](C[NH3+])C2)c1 ZINC000414726490 824028440 /nfs/dbraw/zinc/02/84/40/824028440.db2.gz OBROWJIMMOVEOX-QGZVFWFLSA-N 1 0 389.883 4.022 20 0 GIADRO CCCC[NH+]1CCC(NC(=O)c2ccccc2-c2ccccc2C(=O)OC)CC1 ZINC000192549523 824028849 /nfs/dbraw/zinc/02/88/49/824028849.db2.gz NQVVPVRUQLWYTD-UHFFFAOYSA-N 1 0 394.515 4.135 20 0 GIADRO COc1ccc(Oc2ccc(Cl)cc2NC(=O)N2CCC([NH3+])CC2)cc1 ZINC000414728673 824029198 /nfs/dbraw/zinc/02/91/98/824029198.db2.gz QGPZZZPMMIDYCL-UHFFFAOYSA-N 1 0 375.856 4.096 20 0 GIADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000414730074 824029289 /nfs/dbraw/zinc/02/92/89/824029289.db2.gz RAFHASKLMSQCNL-GOEBONIOSA-N 1 0 380.517 4.088 20 0 GIADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)Nc2ncc(Cc3ccc(C(F)(F)F)cc3)s2)C1 ZINC000414730324 824029546 /nfs/dbraw/zinc/02/95/46/824029546.db2.gz GPIWFMVOVDBGHK-OCCSQVGLSA-N 1 0 398.454 4.002 20 0 GIADRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)CC1 ZINC000414732791 824029988 /nfs/dbraw/zinc/02/99/88/824029988.db2.gz UXLYIPLEKCYJKQ-JOCHJYFZSA-N 1 0 375.516 4.500 20 0 GIADRO CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)N2CCC([NH3+])CC2)cc1 ZINC000414734701 824030354 /nfs/dbraw/zinc/03/03/54/824030354.db2.gz WNZYYDSTJVWILG-UHFFFAOYSA-N 1 0 389.883 4.486 20 0 GIADRO C[C@@H]1CCN(C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)[C@H](C[NH3+])C1 ZINC000414735879 824030789 /nfs/dbraw/zinc/03/07/89/824030789.db2.gz XOITWVKMUNLQLE-QAPCUYQASA-N 1 0 394.544 4.478 20 0 GIADRO C[NH2+]CC1CCN(C(=O)Nc2ccccc2-c2nc3ccccc3s2)CC1 ZINC000414744636 824031874 /nfs/dbraw/zinc/03/18/74/824031874.db2.gz WPFQYYQBVPWDIS-UHFFFAOYSA-N 1 0 380.517 4.427 20 0 GIADRO CN(C(=O)c1sc(-c2ccco2)nc1-c1ccccc1)C1CC[NH+](C)CC1 ZINC000192560777 824031896 /nfs/dbraw/zinc/03/18/96/824031896.db2.gz VAQXEZODFXKKDF-UHFFFAOYSA-N 1 0 381.501 4.236 20 0 GIADRO CC1(C)C[NH2+]CC[C@H]1NC(=O)Nc1ccccc1-c1nc2ccccc2s1 ZINC000414744142 824031958 /nfs/dbraw/zinc/03/19/58/824031958.db2.gz WLKZZKWKOABMKJ-GOSISDBHSA-N 1 0 380.517 4.473 20 0 GIADRO CC(=O)c1ccccc1NC(=O)CCC[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000575932424 824032160 /nfs/dbraw/zinc/03/21/60/824032160.db2.gz KEXRVXKRBPVJTD-UHFFFAOYSA-N 1 0 378.472 4.103 20 0 GIADRO [NH3+]C[C@H]1CC[C@H](NC(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)C1 ZINC000414753613 824033344 /nfs/dbraw/zinc/03/33/44/824033344.db2.gz WOESHUADBSBRPW-GWCFXTLKSA-N 1 0 384.427 4.078 20 0 GIADRO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CCC[C@H]2c2cccc3ccccc32)cc1 ZINC000414758899 824033686 /nfs/dbraw/zinc/03/36/86/824033686.db2.gz VPBAMCSJVREREW-AOMKIAJQSA-N 1 0 387.483 4.162 20 0 GIADRO CC[NH2+]CC1CCN(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)CC1 ZINC000414771009 824034615 /nfs/dbraw/zinc/03/46/15/824034615.db2.gz OQYMEMMTKNLTEU-UHFFFAOYSA-N 1 0 378.476 4.348 20 0 GIADRO [NH3+]C[C@H](NC(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1)C1CCCCC1 ZINC000414768348 824034702 /nfs/dbraw/zinc/03/47/02/824034702.db2.gz HWBPXIAEUBTAKR-FQEVSTJZSA-N 1 0 395.507 4.360 20 0 GIADRO C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+][C@H]1CCCN(CC(F)(F)F)C1=O ZINC000575950938 824035447 /nfs/dbraw/zinc/03/54/47/824035447.db2.gz XKTLBEGRBFVNTR-PINLSGDHSA-N 1 0 394.359 4.252 20 0 GIADRO CCCCN(Cc1ccccc1Cl)C(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000414781101 824035522 /nfs/dbraw/zinc/03/55/22/824035522.db2.gz MQELXPJQULWVCK-OAHLLOKOSA-N 1 0 387.911 4.127 20 0 GIADRO CC(C)Cc1ccc([C@H](NC(=O)C(=O)Nc2ccc([C@H](C)[NH3+])cc2)C2CC2)cc1 ZINC000414782412 824035883 /nfs/dbraw/zinc/03/58/83/824035883.db2.gz ONLKBDPRGDQYGD-AOMKIAJQSA-N 1 0 393.531 4.111 20 0 GIADRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)Nc1ccc(NC(=O)CC(C)C)cc1 ZINC000414785458 824036153 /nfs/dbraw/zinc/03/61/53/824036153.db2.gz IWRHFKSPYORSOP-FQEVSTJZSA-N 1 0 382.508 4.055 20 0 GIADRO O=C(c1cccc(C[NH+]2CCCC2)c1)N1CCC(O)(c2ccccc2Cl)CC1 ZINC000192577271 824036546 /nfs/dbraw/zinc/03/65/46/824036546.db2.gz ORKRTWAPQKRYQF-UHFFFAOYSA-N 1 0 398.934 4.060 20 0 GIADRO C[NH2+]CCC1CCN(C(=O)Nc2cc(C(C)(C)C)nn2Cc2ccccc2)CC1 ZINC000414795220 824036862 /nfs/dbraw/zinc/03/68/62/824036862.db2.gz WTSRKGXXSGXTLZ-UHFFFAOYSA-N 1 0 397.567 4.082 20 0 GIADRO O=C(Nc1ccc2c(c1)C[NH2+]C2)C(=O)N[C@H](CC1CCCCC1)c1ccccc1 ZINC000414793925 824037024 /nfs/dbraw/zinc/03/70/24/824037024.db2.gz UVPIRYXGJYYKTF-JOCHJYFZSA-N 1 0 391.515 4.056 20 0 GIADRO O=C(Nc1cccc(CNC2CC[NH2+]CC2)c1)c1ccc(Cl)cc1Cl ZINC000414797509 824037490 /nfs/dbraw/zinc/03/74/90/824037490.db2.gz YVAUTUAQMYKPKW-UHFFFAOYSA-N 1 0 378.303 4.087 20 0 GIADRO CC[C@@H]([NH2+][C@H]1c2ccccc2CC12CCOCC2)C(=O)Nc1ccc(OC)cc1 ZINC000575958464 824037690 /nfs/dbraw/zinc/03/76/90/824037690.db2.gz RSKITNBSEBHCQR-YADHBBJMSA-N 1 0 394.515 4.096 20 0 GIADRO CCC([NH3+])(CC)CNCc1cc(Br)ccc1OCc1ccccn1 ZINC000414805571 824037792 /nfs/dbraw/zinc/03/77/92/824037792.db2.gz GPCGFUGQPOWYBF-UHFFFAOYSA-N 1 0 392.341 4.030 20 0 GIADRO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)NCC[NH2+]C1CCCCCC1 ZINC000414817116 824039169 /nfs/dbraw/zinc/03/91/69/824039169.db2.gz ZHQKFRXRFJJKHT-HNNXBMFYSA-N 1 0 385.474 4.325 20 0 GIADRO [NH3+]CCC[C@H](NC(=O)Nc1cccc(OCC(F)(F)F)c1)c1ccccc1 ZINC000414824639 824040028 /nfs/dbraw/zinc/04/00/28/824040028.db2.gz RATOUEZMMKUFAD-KRWDZBQOSA-N 1 0 381.398 4.229 20 0 GIADRO CCCOc1c(Br)cc(C[NH2+]C[C@@H](N)c2ccccc2)cc1OC ZINC000414827546 824040084 /nfs/dbraw/zinc/04/00/84/824040084.db2.gz HFKQEAQMLQUOPV-QGZVFWFLSA-N 1 0 393.325 4.036 20 0 GIADRO CC[NH+]1CCC(CNC(=O)c2ccc3c(ccn3Cc3ccccc3)c2)CC1 ZINC000575967036 824040876 /nfs/dbraw/zinc/04/08/76/824040876.db2.gz UGXAGFVLACOJMO-UHFFFAOYSA-N 1 0 375.516 4.151 20 0 GIADRO CN(C)c1ccc(NC(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)c(C(F)(F)F)c1 ZINC000414846792 824041673 /nfs/dbraw/zinc/04/16/73/824041673.db2.gz HXKRZAQPPYJTMT-KBXCAEBGSA-N 1 0 398.473 4.157 20 0 GIADRO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)Nc2ccc(SC3CCCC3)cc2)cc1 ZINC000414853249 824042181 /nfs/dbraw/zinc/04/21/81/824042181.db2.gz XHOLSLHJYAMUGV-CQSZACIVSA-N 1 0 383.517 4.318 20 0 GIADRO CC(=O)N(c1nc(CN[C@H](C[NH3+])C2CCCCC2)cs1)c1ccc(C)cc1 ZINC000414851826 824042187 /nfs/dbraw/zinc/04/21/87/824042187.db2.gz PUANWVSNVUAKSA-HXUWFJFHSA-N 1 0 386.565 4.133 20 0 GIADRO Cc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000414852453 824042263 /nfs/dbraw/zinc/04/22/63/824042263.db2.gz QACSEOLIZALWNI-MRXNPFEDSA-N 1 0 383.540 4.069 20 0 GIADRO Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000414867659 824043418 /nfs/dbraw/zinc/04/34/18/824043418.db2.gz CPSNRVXAKSYGMC-IBGZPJMESA-N 1 0 382.508 4.084 20 0 GIADRO CCOCCOc1ccc(Br)cc1CNc1cccc(C[NH2+]C)c1 ZINC000414873886 824043963 /nfs/dbraw/zinc/04/39/63/824043963.db2.gz YBIGEJHOGRUFAX-UHFFFAOYSA-N 1 0 393.325 4.196 20 0 GIADRO Cc1cc(Br)cc(C)c1NC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000414880222 824044293 /nfs/dbraw/zinc/04/42/93/824044293.db2.gz JHZFYWPBEPMNCF-UHFFFAOYSA-N 1 0 390.325 4.449 20 0 GIADRO COc1ccc([C@H]2CC[NH2+]C[C@H]2NCc2cnc(-c3ccsc3)s2)cc1 ZINC000414877989 824044306 /nfs/dbraw/zinc/04/43/06/824044306.db2.gz GRMGNJBQJIJRBE-RTBURBONSA-N 1 0 385.558 4.116 20 0 GIADRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414881250 824044589 /nfs/dbraw/zinc/04/45/89/824044589.db2.gz ADQSJABRCZKQIA-IAGOWNOFSA-N 1 0 395.507 4.278 20 0 GIADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NCc2cnc(-c3cccs3)s2)cc1 ZINC000414886933 824045532 /nfs/dbraw/zinc/04/55/32/824045532.db2.gz QDPYDUHZHGYRJB-ROUUACIJSA-N 1 0 385.558 4.116 20 0 GIADRO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NCc2ccc(-c3ccncc3)cc2F)cc1 ZINC000414888313 824045842 /nfs/dbraw/zinc/04/58/42/824045842.db2.gz REYPVZSOIMYMEM-LADGPHEKSA-N 1 0 391.490 4.132 20 0 GIADRO Cc1cc(Br)cc(C)c1NC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000414891148 824046259 /nfs/dbraw/zinc/04/62/59/824046259.db2.gz VGAJQLHZTYHWNE-RDJZCZTQSA-N 1 0 394.357 4.452 20 0 GIADRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000414892517 824046286 /nfs/dbraw/zinc/04/62/86/824046286.db2.gz QAYQEDCWWXRGJQ-LJQANCHMSA-N 1 0 397.523 4.476 20 0 GIADRO Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2NCc2ccc(OCc3ccncc3)cc2)cc1 ZINC000414891883 824046319 /nfs/dbraw/zinc/04/63/19/824046319.db2.gz IPJGPXQYOMZSTO-ZEQRLZLVSA-N 1 0 391.490 4.035 20 0 GIADRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000414893019 824046836 /nfs/dbraw/zinc/04/68/36/824046836.db2.gz QSIFVIPDFBPIHL-NVXWUHKLSA-N 1 0 395.507 4.088 20 0 GIADRO C[C@@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccnn1C ZINC000192622142 824047593 /nfs/dbraw/zinc/04/75/93/824047593.db2.gz AFWGJBXIQBIBPV-MRXNPFEDSA-N 1 0 375.451 4.263 20 0 GIADRO Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)NCc1ccc2c[nH+]cn2c1 ZINC000576002721 824047869 /nfs/dbraw/zinc/04/78/69/824047869.db2.gz DEUPKPWYKLVGOX-QGZVFWFLSA-N 1 0 376.382 4.136 20 0 GIADRO Cc1ccc(C[C@H]2CCC[N@H+](CC(=O)N3CCC[C@H](C(F)(F)F)C3)C2)cc1 ZINC000576018783 824050259 /nfs/dbraw/zinc/05/02/59/824050259.db2.gz WLFXCFVPHDSDQZ-MOPGFXCFSA-N 1 0 382.470 4.050 20 0 GIADRO COc1ccc(OCc2ccccn2)c(C[NH2+][C@@H]2CCCc3cc(N)ccc32)c1 ZINC000414921212 824050558 /nfs/dbraw/zinc/05/05/58/824050558.db2.gz DGRZYXUFHQVMKQ-HSZRJFAPSA-N 1 0 389.499 4.419 20 0 GIADRO COc1ccc(OCc2ccccn2)c(C[NH2+][C@H]2CCCc3cc(N)ccc32)c1 ZINC000414921219 824050608 /nfs/dbraw/zinc/05/06/08/824050608.db2.gz DGRZYXUFHQVMKQ-QHCPKHFHSA-N 1 0 389.499 4.419 20 0 GIADRO COc1cc(C[NH2+][C@@H]2CCCc3cc(N)ccc32)ccc1OCc1ccncc1 ZINC000414930825 824051480 /nfs/dbraw/zinc/05/14/80/824051480.db2.gz PKONBBIRKQMLLI-JOCHJYFZSA-N 1 0 389.499 4.419 20 0 GIADRO CC(C)CNC(=O)c1ccc(NC(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)cc1 ZINC000414935579 824051877 /nfs/dbraw/zinc/05/18/77/824051877.db2.gz ULAZAJOHMNFNCU-NRFANRHFSA-N 1 0 396.535 4.017 20 0 GIADRO Cn1cc(-c2nc(-c3cccc(C[NH+]4CCCC4)c3)no2)c(-c2cccs2)n1 ZINC000576026431 824052805 /nfs/dbraw/zinc/05/28/05/824052805.db2.gz VNPOORPTLVDBFN-UHFFFAOYSA-N 1 0 391.500 4.461 20 0 GIADRO O=C([C@@H]1CCCc2cccnc21)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000192639223 824053156 /nfs/dbraw/zinc/05/31/56/824053156.db2.gz GMQCSYZWVPPECQ-ZRBLBEILSA-N 1 0 389.543 4.015 20 0 GIADRO Cc1cc(C)n(-c2ccc(NC(=O)N[C@H](CCC[NH3+])c3ccccc3)cc2F)n1 ZINC000414946453 824053393 /nfs/dbraw/zinc/05/33/93/824053393.db2.gz JOICROSTSKAZTB-HXUWFJFHSA-N 1 0 395.482 4.230 20 0 GIADRO CCc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000576031541 824053670 /nfs/dbraw/zinc/05/36/70/824053670.db2.gz BWFFRGMVKVCIDG-IWMITWMQSA-N 1 0 385.939 4.264 20 0 GIADRO COC(=O)c1cc(C[N@H+](C)CCC(=O)Nc2c(Cl)cccc2Cl)oc1C ZINC000192641842 824054151 /nfs/dbraw/zinc/05/41/51/824054151.db2.gz MZPZZGZATOSISQ-UHFFFAOYSA-N 1 0 399.274 4.142 20 0 GIADRO Cc1ccccc1[C@@H]([NH2+][C@H]1CCCc2ccc(S(N)(=O)=O)cc21)C(C)(C)C ZINC000576032282 824054189 /nfs/dbraw/zinc/05/41/89/824054189.db2.gz DPBLQCOJMNCRRS-LEWJYISDSA-N 1 0 386.561 4.397 20 0 GIADRO C[C@H]1CCCN(C(=O)Nc2ccc(Br)cc2C(F)(F)F)[C@H]1C[NH3+] ZINC000414966393 824055171 /nfs/dbraw/zinc/05/51/71/824055171.db2.gz BQVYPFLNWUFWKE-ZANVPECISA-N 1 0 394.235 4.059 20 0 GIADRO C[C@@H]1CCCN(C(=O)Nc2ccc(Br)cc2C(F)(F)F)[C@H]1C[NH3+] ZINC000414966391 824055326 /nfs/dbraw/zinc/05/53/26/824055326.db2.gz BQVYPFLNWUFWKE-RNCFNFMXSA-N 1 0 394.235 4.059 20 0 GIADRO Cc1cc(C[NH2+]Cc2cccc(-c3nc(CC(F)(F)F)no3)c2)cc(C)c1O ZINC000576037565 824055431 /nfs/dbraw/zinc/05/54/31/824055431.db2.gz MCACPGJVPDNUAQ-UHFFFAOYSA-N 1 0 391.393 4.454 20 0 GIADRO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)N1CC[C@H](CC(F)(F)F)C1 ZINC000576039381 824055824 /nfs/dbraw/zinc/05/58/24/824055824.db2.gz VREAUIGFRFJSQM-MOPGFXCFSA-N 1 0 397.485 4.273 20 0 GIADRO Cc1nc(C)c(CC[NH2+][C@@H](C)c2ccc(I)cc2)s1 ZINC000482814805 370698615 /nfs/dbraw/zinc/69/86/15/370698615.db2.gz LNNGOUGULSSPSM-JTQLQIEISA-N 1 0 386.302 4.258 20 0 GIADRO CCOc1cccc(C[NH2+][C@@H]2CCC(=O)Nc3ccc(F)cc32)c1OC(F)F ZINC000359993597 212130269 /nfs/dbraw/zinc/13/02/69/212130269.db2.gz KZKHKZLIGAPQKJ-OAHLLOKOSA-N 1 0 394.393 4.389 20 0 GIADRO NC(=O)[C@H]([NH2+]C[C@H]1CCO[C@@H]1c1ccccc1)c1ccc(Br)cc1 ZINC000328631664 212087515 /nfs/dbraw/zinc/08/75/15/212087515.db2.gz RGFNDTJKHWLUGV-KBAYOESNSA-N 1 0 389.293 4.393 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)c2csc(-c3ccccc3)n2)CC1 ZINC000104916106 136191415 /nfs/dbraw/zinc/19/14/15/136191415.db2.gz YPYDXOSSCCOXSA-UHFFFAOYSA-N 1 0 392.528 4.204 20 0 GIADRO COc1cc(Br)c(C[NH2+]CCc2ccc(Cl)cc2)cc1OC ZINC000060815845 222061409 /nfs/dbraw/zinc/06/14/09/222061409.db2.gz XXTOSZJYHFDZNC-UHFFFAOYSA-N 1 0 384.701 4.452 20 0 GIADRO CC(=O)Nc1ccc(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)cc1 ZINC000072006079 222203221 /nfs/dbraw/zinc/20/32/21/222203221.db2.gz YUYVJFGAFJEGLH-UHFFFAOYSA-N 1 0 393.531 4.340 20 0 GIADRO [NH3+]C1CC2(C1)CCN(C(F)(F)c1cc(-c3cccs3)nnc1Cl)CC2 ZINC001164387734 718802301 /nfs/dbraw/zinc/80/23/01/718802301.db2.gz NMPCUNURNQHGPT-UHFFFAOYSA-N 1 0 384.883 4.111 20 0 GIADRO [NH3+]C1CC2(C1)CCN(C(F)(F)c1cc(-c3cccc(F)c3)nnc1Cl)CC2 ZINC001164388464 718802626 /nfs/dbraw/zinc/80/26/26/718802626.db2.gz VPBHGLWRISTTPA-UHFFFAOYSA-N 1 0 396.844 4.189 20 0 GIADRO FC(F)(c1ccc(Cl)nc1)N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164618361 719050397 /nfs/dbraw/zinc/05/03/97/719050397.db2.gz AVFPVIREYAULLQ-AEFFLSMTSA-N 1 0 377.866 4.381 20 0 GIADRO Clc1cc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c2cccnc2n1 ZINC001164628884 719074711 /nfs/dbraw/zinc/07/47/11/719074711.db2.gz UGOFDUKBSKIWFC-YLJYHZDGSA-N 1 0 378.907 4.384 20 0 GIADRO Cc1nc(-c2ccccn2)nc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1C ZINC001164623540 719104486 /nfs/dbraw/zinc/10/44/86/719104486.db2.gz DLBDXODRUKZDQD-GGAORHGYSA-N 1 0 399.542 4.256 20 0 GIADRO c1cc(-c2ccc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)nn2)cs1 ZINC001164630075 719108270 /nfs/dbraw/zinc/10/82/70/719108270.db2.gz UWPRJAGCQPNDEM-RXVVDRJESA-N 1 0 376.529 4.306 20 0 GIADRO Fc1cccc2ccc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)nc12 ZINC001164696720 719896227 /nfs/dbraw/zinc/89/62/27/719896227.db2.gz HSNUMSVAXUBTSF-UHFFFAOYSA-N 1 0 397.519 4.307 20 0 GIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nccc3cc(Cl)ccc31)C2 ZINC001164807882 720098480 /nfs/dbraw/zinc/09/84/80/720098480.db2.gz GIALZRRLUQTZMS-XMSQKQJNSA-N 1 0 385.939 4.073 20 0 GIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc3c(Cl)cccc3n1)C2 ZINC001164814943 720110288 /nfs/dbraw/zinc/11/02/88/720110288.db2.gz UPOTUNLZANESNJ-VGOFRKELSA-N 1 0 385.939 4.073 20 0 GIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(Cl)nc3cc(C)ccc31)C2 ZINC001164810647 720129991 /nfs/dbraw/zinc/12/99/91/720129991.db2.gz KMWIVBWFJBHSDR-WZONZLPQSA-N 1 0 399.966 4.381 20 0 GIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(C)c3ccc(C)c(C)c3n1)C2 ZINC001164815072 720174277 /nfs/dbraw/zinc/17/42/77/720174277.db2.gz HVLJEFAIKHCHKQ-SQJMNOBHSA-N 1 0 393.575 4.345 20 0 GIADRO Clc1ccc(-c2ccc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)nn2)cc1 ZINC001164727701 720345298 /nfs/dbraw/zinc/34/52/98/720345298.db2.gz UFSWJNTURBKRSK-SFTDATJTSA-N 1 0 391.906 4.045 20 0 GIADRO Cc1ccc2nc(Cl)cc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c2c1 ZINC001164722487 720365158 /nfs/dbraw/zinc/36/51/58/720365158.db2.gz CUOHMAMZPZRVNF-WOJBJXKFSA-N 1 0 378.907 4.445 20 0 GIADRO Clc1ncc(-c2ccccc2)c(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164725890 720388723 /nfs/dbraw/zinc/38/87/23/720388723.db2.gz OBXITKJPVUOPQG-UXHICEINSA-N 1 0 391.906 4.045 20 0 GIADRO Cc1cc2nc(Cl)c(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)nc2cc1C ZINC001164725826 720406120 /nfs/dbraw/zinc/40/61/20/720406120.db2.gz NQUJRFXMEVLSIV-WOJBJXKFSA-N 1 0 393.922 4.148 20 0 GIADRO c1ccc2c(c1)cc(N1CCCC1)nc2N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164735077 720450401 /nfs/dbraw/zinc/45/04/01/720450401.db2.gz VSVMASNQPBHMKA-DHIUTWEWSA-N 1 0 399.542 4.083 20 0 GIADRO CC(C)c1cc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)nc(C(C)(C)C)n1 ZINC001164729429 720456145 /nfs/dbraw/zinc/45/61/45/720456145.db2.gz HKRUNWFCYMHOEC-VQTJNVASSA-N 1 0 379.552 4.146 20 0 GIADRO Cc1cc(Cl)nc(C(F)(F)N([C@@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)c1 ZINC001164735252 720545196 /nfs/dbraw/zinc/54/51/96/720545196.db2.gz NDXFUGBVPMSMBS-AWEZNQCLSA-N 1 0 387.902 4.104 20 0 GIADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nccc3ccoc31)CC2 ZINC001164842544 720667932 /nfs/dbraw/zinc/66/79/32/720667932.db2.gz RXPJLEZTEDQDOS-FQEVSTJZSA-N 1 0 377.488 4.088 20 0 GIADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(C3CC3)ccn1)CC2 ZINC001164845446 720695503 /nfs/dbraw/zinc/69/55/03/720695503.db2.gz ZYLCKMSRMBLAGE-QFIPXVFZSA-N 1 0 377.532 4.219 20 0 GIADRO CSc1ccnc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164839614 720713083 /nfs/dbraw/zinc/71/30/83/720713083.db2.gz MEQZSGPGFZGPLE-IBGZPJMESA-N 1 0 383.561 4.063 20 0 GIADRO CCCCc1cc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)ncn1 ZINC001164836974 720723426 /nfs/dbraw/zinc/72/34/26/720723426.db2.gz CEUFNZOUIWOXKT-QFIPXVFZSA-N 1 0 394.563 4.079 20 0 GIADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@]3(CCC(=O)N3)[C@@H]2CC)nc1 ZINC001164848997 720757894 /nfs/dbraw/zinc/75/78/94/720757894.db2.gz RUKIRKLQLRMPBZ-QTEQDKRBSA-N 1 0 384.568 4.046 20 0 GIADRO Cc1nc(C2CCCCC2)cc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)n1 ZINC001164861679 720993196 /nfs/dbraw/zinc/99/31/96/720993196.db2.gz QCNLSADDIUZNLM-QGZVFWFLSA-N 1 0 396.583 4.451 20 0 GIADRO Cc1cc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)nc(-c2ccsc2)n1 ZINC001164861715 721011060 /nfs/dbraw/zinc/01/10/60/721011060.db2.gz PGZFJNRHRWFPCR-MRXNPFEDSA-N 1 0 396.564 4.131 20 0 GIADRO Cc1ccc(C[NH+]2CCC3(CCN(c4cnc5cc[nH]c5n4)CC3)CC2)cc1 ZINC001164768728 721041974 /nfs/dbraw/zinc/04/19/74/721041974.db2.gz VPKPVNFWQNOODZ-UHFFFAOYSA-N 1 0 375.520 4.149 20 0 GIADRO C[N@H+](Cc1ccc(N2CCC[C@]3(C[C@@H](c4ccccc4)CO3)C2)nc1)C1CC1 ZINC001164772026 721060441 /nfs/dbraw/zinc/06/04/41/721060441.db2.gz OFLVRPCBHKNRHC-QPPBQGQZSA-N 1 0 377.532 4.219 20 0 GIADRO Fc1cccc2c(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)cc(Cl)nc12 ZINC001164782699 721436892 /nfs/dbraw/zinc/43/68/92/721436892.db2.gz HJBCLJRILRFBRE-STQMWFEESA-N 1 0 388.899 4.052 20 0 GIADRO Fc1cccc2c(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)cc(Cl)nc12 ZINC001164782698 721437153 /nfs/dbraw/zinc/43/71/53/721437153.db2.gz HJBCLJRILRFBRE-CHWSQXEVSA-N 1 0 388.899 4.052 20 0 GIADRO CSCc1ccc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)nc1 ZINC001164795734 721502248 /nfs/dbraw/zinc/50/22/48/721502248.db2.gz LBMDLIRIVONUKT-UHFFFAOYSA-N 1 0 382.577 4.221 20 0 GIADRO Fc1ccc(Cl)nc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164907921 721693026 /nfs/dbraw/zinc/69/30/26/721693026.db2.gz WNMGOJFVYNELMO-SFHVURJKSA-N 1 0 396.844 4.007 20 0 GIADRO Cc1ccc2ncnc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c2c1 ZINC001165026335 721806072 /nfs/dbraw/zinc/80/60/72/721806072.db2.gz QSILOAVJIDCWLA-HARLFGEKSA-N 1 0 387.531 4.070 20 0 GIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(Cl)nc4c3CCC4)C[C@@H]21 ZINC001165025005 721806941 /nfs/dbraw/zinc/80/69/41/721806941.db2.gz NAUJJOWJWALGFY-LKUPVBHCSA-N 1 0 396.966 4.356 20 0 GIADRO Cc1nc(Cl)cc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1C ZINC001165025878 721814533 /nfs/dbraw/zinc/81/45/33/721814533.db2.gz OAXYBNSCGRTNEO-YSIASYRMSA-N 1 0 384.955 4.484 20 0 GIADRO Cc1cc(Cl)c(C)c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165023503 721815341 /nfs/dbraw/zinc/81/53/41/721815341.db2.gz HGPGNVSMCPGQFI-DSKINZAPSA-N 1 0 384.955 4.484 20 0 GIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cccc(OC(C)(C)C)n3)C[C@@H]21 ZINC001165029663 721815806 /nfs/dbraw/zinc/81/58/06/721815806.db2.gz ZYMDKRYBLAVIBM-SESVDKBCSA-N 1 0 394.563 4.391 20 0 GIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cccc(OC(C)(C)C)n3)C[C@H]21 ZINC001165029661 721815887 /nfs/dbraw/zinc/81/58/87/721815887.db2.gz ZYMDKRYBLAVIBM-HMXCVIKNSA-N 1 0 394.563 4.391 20 0 GIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc4[nH]ccc4cc3Cl)C[C@H]21 ZINC001165028164 721816641 /nfs/dbraw/zinc/81/66/41/721816641.db2.gz WMGILWNXFZUBKS-ILZDJORESA-N 1 0 395.938 4.300 20 0 GIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(-c4ccncc4)cn3)C[C@@H]21 ZINC001165023172 721822545 /nfs/dbraw/zinc/82/25/45/721822545.db2.gz HXULKUQBXKLULK-YFNKSVMNSA-N 1 0 399.542 4.276 20 0 GIADRO Fc1ccc(Oc2nc(Cl)ncc2N2CC[NH+](C3CCCC3)CC2)cc1 ZINC001165032641 721859881 /nfs/dbraw/zinc/85/98/81/721859881.db2.gz VZIGAXONYVXOGR-UHFFFAOYSA-N 1 0 376.863 4.126 20 0 GIADRO C[NH+](C)[C@H]1CCCN(c2nc(Cl)nc(-c3ccc(-c4ccccc4)cc3)n2)C1 ZINC001165038998 721891385 /nfs/dbraw/zinc/89/13/85/721891385.db2.gz LEMZRXMHTABXEP-IBGZPJMESA-N 1 0 393.922 4.389 20 0 GIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cccc(C5CC5)n4)CC3)C2)cc1 ZINC001164940839 721932955 /nfs/dbraw/zinc/93/29/55/721932955.db2.gz FFZUVAOOVMHIRE-UHFFFAOYSA-N 1 0 377.532 4.139 20 0 GIADRO C[NH+](C)CC1CCN(C(F)(F)c2cc(-c3ccccc3)nnc2Cl)CC1 ZINC001165045686 721949365 /nfs/dbraw/zinc/94/93/65/721949365.db2.gz VHLMAAKNUIXKDS-UHFFFAOYSA-N 1 0 380.870 4.120 20 0 GIADRO CCOC(=O)c1c(C)cc(Cl)nc1N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001165047100 721968329 /nfs/dbraw/zinc/96/83/29/721968329.db2.gz IOHGPNRESYNTKF-MRXNPFEDSA-N 1 0 379.932 4.065 20 0 GIADRO Clc1nc2c(Cl)nccc2c(N2CCCC[C@@H]2CC[NH+]2CCCC2)n1 ZINC001165049090 721975026 /nfs/dbraw/zinc/97/50/26/721975026.db2.gz MYKCYMQLICJRDT-CYBMUJFWSA-N 1 0 380.323 4.176 20 0 GIADRO COc1ccc(OC)c(-c2ccc(N3CCCC[C@@H]3CC[NH+]3CCCC3)nn2)c1 ZINC001165050459 721976913 /nfs/dbraw/zinc/97/69/13/721976913.db2.gz YGDPNPOOALMHAV-GOSISDBHSA-N 1 0 396.535 4.006 20 0 GIADRO c1ccc(-c2nc(N3CC[NH+](CCc4ccccn4)CC3)nc3ccccc32)cc1 ZINC001165053185 722011976 /nfs/dbraw/zinc/01/19/76/722011976.db2.gz AHLKGMCZLQBRNF-UHFFFAOYSA-N 1 0 395.510 4.057 20 0 GIADRO FC(F)(c1ccnc(Cl)c1)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164955084 722012459 /nfs/dbraw/zinc/01/24/59/722012459.db2.gz SYMJHRXWMWXZKU-UHFFFAOYSA-N 1 0 392.881 4.167 20 0 GIADRO CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2C[N@H+](C(C)(C)c3ccnc(Cl)c3)C[C@@H]21 ZINC001164981580 722098334 /nfs/dbraw/zinc/09/83/34/722098334.db2.gz LTHKJQDVUPGMLS-WSTZPKSXSA-N 1 0 398.938 4.012 20 0 GIADRO C[N@H+](Cc1ccc(N2CCC[C@@]3(C[C@H](OCC4CCCC4)CO3)C2)nc1)C1CC1 ZINC001164976083 722165796 /nfs/dbraw/zinc/16/57/96/722165796.db2.gz JOIRGHCJOLLRRT-LADGPHEKSA-N 1 0 399.579 4.011 20 0 GIADRO COc1ccc2ncc(N3CCC[C@@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)nc2c1 ZINC001164995344 722200263 /nfs/dbraw/zinc/20/02/63/722200263.db2.gz MHCIAURCQRNROO-HSZRJFAPSA-N 1 0 392.478 4.022 20 0 GIADRO COc1cccc2ncnc(N3CCC[C@@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)c21 ZINC001164994075 722208570 /nfs/dbraw/zinc/20/85/70/722208570.db2.gz FIWBCSLREXOCCB-HSZRJFAPSA-N 1 0 392.478 4.022 20 0 GIADRO CCCSc1cncc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164995643 722209673 /nfs/dbraw/zinc/20/96/73/722209673.db2.gz OTAVDKZJHVJDFS-OAQYLSRUSA-N 1 0 386.540 4.363 20 0 GIADRO Cc1ccc(C(=O)NCC2CC2)cc1N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000187333857 823045060 /nfs/dbraw/zinc/04/50/60/823045060.db2.gz MTNKQDKIMXUYKV-SFHVURJKSA-N 1 0 395.547 4.248 20 0 GIADRO O=C(N[C@H]1CCc2cc(F)c(F)c(F)c21)NC1CC[NH+](C2CCCCC2)CC1 ZINC000458478373 823045387 /nfs/dbraw/zinc/04/53/87/823045387.db2.gz CSBMUZVXEBCUCC-KRWDZBQOSA-N 1 0 395.469 4.188 20 0 GIADRO COc1ccc(-c2csc(CNC(=O)N3CC[C@@]4(C3)CCC[N@H+](C)C4)c2)cc1 ZINC000458478396 823045403 /nfs/dbraw/zinc/04/54/03/823045403.db2.gz CSVFQTVQDZMSNS-QFIPXVFZSA-N 1 0 399.560 4.051 20 0 GIADRO Cc1ccccc1[C@@H](CC(C)C)[NH2+][C@@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000570490348 823045559 /nfs/dbraw/zinc/04/55/59/823045559.db2.gz SASZNFQRUBGUDZ-FGZHOGPDSA-N 1 0 386.561 4.397 20 0 GIADRO Cc1ccccc1[C@@H](CC(C)C)[NH2+][C@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000570490347 823045689 /nfs/dbraw/zinc/04/56/89/823045689.db2.gz SASZNFQRUBGUDZ-FCHUYYIVSA-N 1 0 386.561 4.397 20 0 GIADRO COc1cccc([C@H]2C[C@H](N(C)C(=O)NC3CC[NH+](C4CCCCC4)CC3)C2)c1 ZINC000458481899 823045982 /nfs/dbraw/zinc/04/59/82/823045982.db2.gz GLXBBIMCIFDTHQ-XYWHTSSQSA-N 1 0 399.579 4.380 20 0 GIADRO CSc1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2nc(C(C)(C)C)cs2)cc1 ZINC000411539489 823586392 /nfs/dbraw/zinc/58/63/92/823586392.db2.gz XWYMKSRGUNLQHL-KGLIPLIRSA-N 1 0 380.579 4.253 20 0 GIADRO CCS[C@@H]1CCCC[C@@H]1NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458489055 823046740 /nfs/dbraw/zinc/04/67/40/823046740.db2.gz HZYULQWHNQUUJQ-JKSUJKDBSA-N 1 0 395.535 4.109 20 0 GIADRO C[C@@H](Oc1cccc2ccccc21)C(=O)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000570507485 823048034 /nfs/dbraw/zinc/04/80/34/823048034.db2.gz IEYKSEXLHYKXQT-CQSZACIVSA-N 1 0 381.501 4.169 20 0 GIADRO Cc1c(Br)cccc1C[C@@H](CO)C[NH2+]Cc1cnc(C2CC2)s1 ZINC000570519127 823049196 /nfs/dbraw/zinc/04/91/96/823049196.db2.gz ZUTFLEPINGOYIM-CYBMUJFWSA-N 1 0 395.366 4.032 20 0 GIADRO Cc1csc([C@H](NC(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)C2CC2)n1 ZINC000175829314 823049614 /nfs/dbraw/zinc/04/96/14/823049614.db2.gz GQHJMKTYBRIHLQ-FXAWDEMLSA-N 1 0 398.576 4.209 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)N[C@H](c2nc(C)cs2)C2CC2)CC1 ZINC000175830871 823049968 /nfs/dbraw/zinc/04/99/68/823049968.db2.gz KPYSRLPAFWQNHB-SFHVURJKSA-N 1 0 378.586 4.056 20 0 GIADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+][C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000187363638 823050033 /nfs/dbraw/zinc/05/00/33/823050033.db2.gz MGSZYOWLQYQYCI-PKOBYXMFSA-N 1 0 393.936 4.144 20 0 GIADRO CSCc1cccc(CNC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000187364061 823050387 /nfs/dbraw/zinc/05/03/87/823050387.db2.gz HFQQVIYUWZLMKI-QFBILLFUSA-N 1 0 375.582 4.002 20 0 GIADRO Cc1nc(C(F)(F)F)ccc1NC(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000570530270 823050510 /nfs/dbraw/zinc/05/05/10/823050510.db2.gz CKJDJYJECQTEMR-AWEZNQCLSA-N 1 0 394.441 4.441 20 0 GIADRO COc1cccc([C@@H]2[C@H](NC(=O)[C@H]3CC[C@@H](C(F)(F)F)C3)CC[N@@H+]2C2CC2)c1 ZINC000570535892 823051052 /nfs/dbraw/zinc/05/10/52/823051052.db2.gz BXYGNDVUMUJJIS-OSGQAZFXSA-N 1 0 396.453 4.068 20 0 GIADRO COc1cc(F)c(F)cc1NC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000570556167 823054079 /nfs/dbraw/zinc/05/40/79/823054079.db2.gz SVWRALJXBPMOSB-UHFFFAOYSA-N 1 0 397.853 4.223 20 0 GIADRO C[C@@H]([NH2+]CCc1c[nH]c2cc(Cl)ccc12)c1ccc(S(C)(=O)=O)cc1 ZINC000120720080 823052256 /nfs/dbraw/zinc/05/22/56/823052256.db2.gz PBHSJJRAUBMOFH-CYBMUJFWSA-N 1 0 376.909 4.118 20 0 GIADRO Cc1cc(Br)cc([C@@H](C)[NH2+]Cc2cn(C)nc2C(F)(F)F)c1O ZINC000187387671 823054242 /nfs/dbraw/zinc/05/42/42/823054242.db2.gz CVSMOEFSACTHBR-SECBINFHSA-N 1 0 392.219 4.066 20 0 GIADRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)c1ccc(Cl)nc1Cl)C1CC1 ZINC000187389456 823054488 /nfs/dbraw/zinc/05/44/88/823054488.db2.gz LHMRHFYMDHFZEK-MRXNPFEDSA-N 1 0 378.303 4.029 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(C(=O)c3ccccc3)c2)[C@H](C)C1 ZINC000120734048 823054569 /nfs/dbraw/zinc/05/45/69/823054569.db2.gz QAGCMYBVUYABGI-DYESRHJHSA-N 1 0 379.504 4.112 20 0 GIADRO CSc1ccc([C@@H](CNC(=O)NCc2nc(C(C)C)cs2)[NH+](C)C)cc1 ZINC000458560302 823055909 /nfs/dbraw/zinc/05/59/09/823055909.db2.gz PKGOYVMLFLGKBW-QGZVFWFLSA-N 1 0 392.594 4.091 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)c3occc3-c3ccc(F)cc3)c2)CC1 ZINC000187405734 823056832 /nfs/dbraw/zinc/05/68/32/823056832.db2.gz DAJNJTPEFKPDKK-UHFFFAOYSA-N 1 0 393.462 4.480 20 0 GIADRO COc1cc(OC)c([C@@H](C)[NH2+]CCc2cc(F)cc3c2OCOC3)cc1Cl ZINC000120751708 823057072 /nfs/dbraw/zinc/05/70/72/823057072.db2.gz RUTQYCVYVJYGHC-GFCCVEGCSA-N 1 0 395.858 4.256 20 0 GIADRO CCO[C@@H]1C[C@]([NH3+])(C(=O)Nc2ccc(Sc3nc(C)cs3)cc2)C1(C)C ZINC000187408409 823057373 /nfs/dbraw/zinc/05/73/73/823057373.db2.gz AAGRRTFHXBGRBB-BEFAXECRSA-N 1 0 391.562 4.074 20 0 GIADRO CCO[C@@H]1CCN(C(=O)NC[C@H](CC(C)C)[NH2+][C@H](C)c2ccccc2)C[C@@H]1C ZINC000458569146 823057437 /nfs/dbraw/zinc/05/74/37/823057437.db2.gz VKWRTTCPNWNNRE-YUVXSKOASA-N 1 0 389.584 4.208 20 0 GIADRO CN(C)C(=O)c1cccc(C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2cccs2)c1 ZINC000175860674 823057417 /nfs/dbraw/zinc/05/74/17/823057417.db2.gz UITGSVWUVMZNII-PMACEKPBSA-N 1 0 386.561 4.318 20 0 GIADRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ocnc1-c1ccccc1 ZINC000570591345 823058800 /nfs/dbraw/zinc/05/88/00/823058800.db2.gz JPSKFIZNJFAATB-INIZCTEOSA-N 1 0 381.501 4.045 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2)o1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000120755354 823057913 /nfs/dbraw/zinc/05/79/13/823057913.db2.gz ISLKAFDJPKHQBE-QGZVFWFLSA-N 1 0 390.483 4.455 20 0 GIADRO COc1ccc([C@H](CCO)[NH2+]Cc2ccc(OCc3ccccc3F)nc2)cc1 ZINC000187411232 823058337 /nfs/dbraw/zinc/05/83/37/823058337.db2.gz LHZDNQAYYVRUQO-QFIPXVFZSA-N 1 0 396.462 4.022 20 0 GIADRO O=C(Nc1ccc(Br)cc1Cl)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000175865689 823058969 /nfs/dbraw/zinc/05/89/69/823058969.db2.gz VXVRZBULBJQKHD-LBPRGKRZSA-N 1 0 386.721 4.052 20 0 GIADRO CC[C@H](NC(=O)NC[C@@H](c1ccc(SC)cc1)[NH+](C)C)c1c(C)noc1C ZINC000458587509 823059936 /nfs/dbraw/zinc/05/99/36/823059936.db2.gz JLAXGPORJROPSN-ROUUACIJSA-N 1 0 390.553 4.067 20 0 GIADRO COc1cc(Cl)c(NC(=O)N(CC[NH+](C)C)Cc2ccccc2)cc1C ZINC000570601062 823060279 /nfs/dbraw/zinc/06/02/79/823060279.db2.gz NFMKXDNBWJNOQC-UHFFFAOYSA-N 1 0 375.900 4.253 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3ccc(F)c(F)c3F)cc2F)CC1 ZINC000175871131 823060364 /nfs/dbraw/zinc/06/03/64/823060364.db2.gz VTCJTORMONHMMB-UHFFFAOYSA-N 1 0 395.400 4.026 20 0 GIADRO CCC[N@H+](CC)CCNC(=O)Nc1cc(NC(=O)OC(C)(C)C)ccc1F ZINC000175872965 823060779 /nfs/dbraw/zinc/06/07/79/823060779.db2.gz GOIGLGKRZJRISE-UHFFFAOYSA-N 1 0 382.480 4.026 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)CC[C@@H]1CCOC1)c1ccc(C(F)(F)F)cc1 ZINC000175879684 823062621 /nfs/dbraw/zinc/06/26/21/823062621.db2.gz UMJACISMIMAXDG-CRAIPNDOSA-N 1 0 386.458 4.021 20 0 GIADRO O=C(CC[N@H+](Cc1ccco1)Cc1ccccc1)N1CCc2sccc2C1 ZINC000055898781 823063800 /nfs/dbraw/zinc/06/38/00/823063800.db2.gz IZAGLBBQGANAAQ-UHFFFAOYSA-N 1 0 380.513 4.318 20 0 GIADRO CCOc1ccc(NC(=O)c2ccc(C[NH+](C)C)cc2)cc1Br ZINC000187439050 823063884 /nfs/dbraw/zinc/06/38/84/823063884.db2.gz ZDGKDCFGFOWVNK-UHFFFAOYSA-N 1 0 377.282 4.162 20 0 GIADRO O=C(NCc1ccco1)c1cccc(C[NH+]2CCC(c3ccc(O)cc3)CC2)c1 ZINC000055900919 823064046 /nfs/dbraw/zinc/06/40/46/823064046.db2.gz AEOMUSKJAGDWSY-UHFFFAOYSA-N 1 0 390.483 4.295 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)N1Cc2ccccc2C2(CC2)C1 ZINC000187441433 823064363 /nfs/dbraw/zinc/06/43/63/823064363.db2.gz CBPNYXZPQAGXID-UHFFFAOYSA-N 1 0 393.506 4.047 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000570629415 823064520 /nfs/dbraw/zinc/06/45/20/823064520.db2.gz DSGJVIZSIGTYFH-QRWLVFNGSA-N 1 0 391.540 4.491 20 0 GIADRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccc(F)c(Br)c2)cc1[N+](=O)[O-] ZINC000187443592 823064728 /nfs/dbraw/zinc/06/47/28/823064728.db2.gz ZEHJBLOCFSKFEI-DIFFPNOSSA-N 1 0 397.244 4.189 20 0 GIADRO Cc1ccn(-c2ccccc2C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)n1 ZINC000570640793 823065846 /nfs/dbraw/zinc/06/58/46/823065846.db2.gz CRLBEJCKZIHDSX-IBGZPJMESA-N 1 0 388.515 4.136 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H](c1ncc(C)s1)C1CC1 ZINC000175895646 823066004 /nfs/dbraw/zinc/06/60/04/823066004.db2.gz VAGKYGYNTKZQRX-LJQANCHMSA-N 1 0 386.565 4.196 20 0 GIADRO CCN(C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)c1ccc(Br)cc1 ZINC000570643158 823066263 /nfs/dbraw/zinc/06/62/63/823066263.db2.gz NUNCPFIAVLBXNQ-QGZVFWFLSA-N 1 0 397.382 4.020 20 0 GIADRO C[N@@H+]1CC[C@H](CNC(=O)NC2(C3(C)CC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000458629265 823066597 /nfs/dbraw/zinc/06/65/97/823066597.db2.gz WSUOCSXBAOCTMW-RHSMWYFYSA-N 1 0 379.907 4.104 20 0 GIADRO O[C@H](C[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1)c1ccc(F)cc1Cl ZINC000187462667 823067954 /nfs/dbraw/zinc/06/79/54/823067954.db2.gz ORNHLGQWPFAVDW-OAHLLOKOSA-N 1 0 391.796 4.065 20 0 GIADRO Cn1cc(CCNC(=O)c2oc3ccccc3c2C[NH+](C)C)c2ccc(F)cc21 ZINC000187455585 823066860 /nfs/dbraw/zinc/06/68/60/823066860.db2.gz SFDCSQQJTKSBLU-UHFFFAOYSA-N 1 0 393.462 4.098 20 0 GIADRO COc1cccc(C2CC[NH+]([C@H]3CCN([C@@H](C)c4ccc(F)cc4)C3=O)CC2)c1 ZINC000570651064 823066990 /nfs/dbraw/zinc/06/69/90/823066990.db2.gz PXPSTUMJORZVSI-SBUREZEXSA-N 1 0 396.506 4.376 20 0 GIADRO O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)N(C1CC1)C1CCCC1 ZINC000175907362 823069518 /nfs/dbraw/zinc/06/95/18/823069518.db2.gz GFLJPNZEFSOYFH-UHFFFAOYSA-N 1 0 399.579 4.174 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)C(=O)Nc1cccc2ccccc21 ZINC000120818135 823070410 /nfs/dbraw/zinc/07/04/10/823070410.db2.gz BLKMWTGDOBZIIM-UHFFFAOYSA-N 1 0 387.483 4.055 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CCCC1(F)F)c1cccc(C(F)(F)F)c1 ZINC000458656916 823070574 /nfs/dbraw/zinc/07/05/74/823070574.db2.gz UHFPARDWUVKWRW-LSDHHAIUSA-N 1 0 393.400 4.043 20 0 GIADRO CC(C)c1cccc(CNC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000458667096 823071811 /nfs/dbraw/zinc/07/18/11/823071811.db2.gz UKXIEVRVPGHISP-UHFFFAOYSA-N 1 0 385.474 4.368 20 0 GIADRO COc1c(C)ccc(NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)c1C ZINC000175916584 823071889 /nfs/dbraw/zinc/07/18/89/823071889.db2.gz FNAYUTYDTGKTGF-UHFFFAOYSA-N 1 0 381.520 4.440 20 0 GIADRO COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H]2CN(Cc3ccccc3)CCCO2)cc1 ZINC000570704221 823073782 /nfs/dbraw/zinc/07/37/82/823073782.db2.gz NRNXQOSPJTUKSZ-NMMYMHLASA-N 1 0 382.548 4.068 20 0 GIADRO CC(C)c1ccccc1NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000120838592 823074411 /nfs/dbraw/zinc/07/44/11/823074411.db2.gz AWQPEWMNNFTXMF-UHFFFAOYSA-N 1 0 379.504 4.026 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)cc1OCC ZINC000120854253 823077285 /nfs/dbraw/zinc/07/72/85/823077285.db2.gz ZJAXKKZGUVFIFL-HZPDHXFCSA-N 1 0 398.503 4.364 20 0 GIADRO C[C@H](Oc1ccc(C(=O)N2CCC([NH2+]CC3CC3)CC2)cc1)c1ccccc1 ZINC000570716973 823074993 /nfs/dbraw/zinc/07/49/93/823074993.db2.gz JXJAKMGUHCSMOP-SFHVURJKSA-N 1 0 378.516 4.431 20 0 GIADRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2C[C@@]23CCc2ccccc23)CC1 ZINC000175933460 823076134 /nfs/dbraw/zinc/07/61/34/823076134.db2.gz MMVIYCJIXCCCFJ-AZGAKELHSA-N 1 0 388.555 4.261 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(Oc3ccc(OC)cc3)nc2)[C@H](C)C1 ZINC000120851897 823076581 /nfs/dbraw/zinc/07/65/81/823076581.db2.gz JYNPRELVAUNWPA-UZLBHIALSA-N 1 0 398.507 4.077 20 0 GIADRO Cc1nc(CCCC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)cs1 ZINC000175947688 823079671 /nfs/dbraw/zinc/07/96/71/823079671.db2.gz FLMWQPXMBCQFTQ-UHFFFAOYSA-N 1 0 385.577 4.467 20 0 GIADRO COc1cc(-c2noc(C[NH2+][C@H]3CCC(C)(C)C[C@H]3C)n2)cc(OC)c1OC ZINC000120867531 823079707 /nfs/dbraw/zinc/07/97/07/823079707.db2.gz AZNDJPDQOYTSJF-HIFRSBDPSA-N 1 0 389.496 4.067 20 0 GIADRO CCC1(NC(=O)N[C@@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000458748741 823080983 /nfs/dbraw/zinc/08/09/83/823080983.db2.gz CHTDWKRZPMXQLW-DQXYTYHJSA-N 1 0 375.944 4.496 20 0 GIADRO COc1cc(C[NH2+][C@H](C)Cc2ccccc2C)cc(OC)c1OCC(F)F ZINC000570753397 823081127 /nfs/dbraw/zinc/08/11/27/823081127.db2.gz CWEPOWRGMIQHST-OAHLLOKOSA-N 1 0 379.447 4.377 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)c1ccc2c(c1)NC(=O)CS2 ZINC000056041833 823081203 /nfs/dbraw/zinc/08/12/03/823081203.db2.gz TZYCJWJWWPTVHV-UHFFFAOYSA-N 1 0 395.528 4.012 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)c1cc(-c2cccnc2)on1 ZINC000056042495 823081311 /nfs/dbraw/zinc/08/13/11/823081311.db2.gz LTTLHORYRZEXMB-UHFFFAOYSA-N 1 0 376.460 4.017 20 0 GIADRO C[C@H](C[C@H](O)c1ccco1)[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000120885981 823082384 /nfs/dbraw/zinc/08/23/84/823082384.db2.gz PMXFHHUWMWMKEW-WQVCFCJDSA-N 1 0 380.282 4.358 20 0 GIADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)N1CC(c2cccc(Cl)c2)C1)c1ccco1 ZINC000458761392 823082533 /nfs/dbraw/zinc/08/25/33/823082533.db2.gz HMNGPMUHQLLSOQ-KSSFIOAISA-N 1 0 375.900 4.171 20 0 GIADRO CC(C)OCc1ccc(NC(=O)N(CC[NH+](C)C)Cc2cccs2)cc1 ZINC000175965746 823083748 /nfs/dbraw/zinc/08/37/48/823083748.db2.gz MJSUIPUGXYTJOX-UHFFFAOYSA-N 1 0 375.538 4.269 20 0 GIADRO O=C([C@H]1CCCC[N@@H+]1Cc1ccccc1)N1CCC([C@H](O)c2ccccc2)CC1 ZINC000120923501 823087167 /nfs/dbraw/zinc/08/71/67/823087167.db2.gz DEUMWCKRWRDMPO-DNQXCXABSA-N 1 0 392.543 4.013 20 0 GIADRO CC(C)Cn1ccc2c1cccc2C(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000570769330 823084240 /nfs/dbraw/zinc/08/42/40/823084240.db2.gz ZXHBIQLSFXTOGF-FQEVSTJZSA-N 1 0 397.563 4.014 20 0 GIADRO Cc1cc([C@@H](C)[NH2+]Cc2cccc(N3C(=O)N[C@](C)(C4CC4)C3=O)c2)cs1 ZINC000570773846 823085348 /nfs/dbraw/zinc/08/53/48/823085348.db2.gz VAWZVOHORVLINJ-SPLOXXLWSA-N 1 0 383.517 4.132 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccccc2Cc2ccccc2)C[C@@H]1C ZINC000570773860 823085375 /nfs/dbraw/zinc/08/53/75/823085375.db2.gz WGZCJSOPOFSQFR-UGKGYDQZSA-N 1 0 379.548 4.021 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(Br)c(C)cc2C)[C@H](C)C1 ZINC000187542353 823085716 /nfs/dbraw/zinc/08/57/16/823085716.db2.gz AMZQINWAWKXVLG-PBHICJAKSA-N 1 0 382.346 4.260 20 0 GIADRO CC[C@]1(CO)CCC[N@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000187546118 823086188 /nfs/dbraw/zinc/08/61/88/823086188.db2.gz LUGYSUQLMVGMGK-QHCPKHFHSA-N 1 0 382.504 4.292 20 0 GIADRO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(NC(=O)NC3CC3)cc2)c(C)c1 ZINC000056159750 823092259 /nfs/dbraw/zinc/09/22/59/823092259.db2.gz LBYXPADQMBOYQK-SJORKVTESA-N 1 0 394.519 4.265 20 0 GIADRO [NH3+]C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000570792570 823088138 /nfs/dbraw/zinc/08/81/38/823088138.db2.gz MLHXAJHNJWXNDS-BZSNNMDCSA-N 1 0 389.524 4.263 20 0 GIADRO CC(=O)NC1CCC([NH2+][C@@H]2CCCc3sc(-c4ccc(F)cc4)nc32)CC1 ZINC000187559233 823088305 /nfs/dbraw/zinc/08/83/05/823088305.db2.gz FVQAFDZSTTUVQG-DAWZGUTISA-N 1 0 387.524 4.364 20 0 GIADRO CCc1nc2cc(NC(=O)NC3CC[NH+]([C@@H](C)c4ccncc4)CC3)ccc2o1 ZINC000120934736 823089062 /nfs/dbraw/zinc/08/90/62/823089062.db2.gz MRBFDJWTVRYAOZ-HNNXBMFYSA-N 1 0 393.491 4.132 20 0 GIADRO COc1cc(C)c([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2Cl)cc1OC ZINC000056154045 823090454 /nfs/dbraw/zinc/09/04/54/823090454.db2.gz NKIQCGMWRPIAOS-ZIAGYGMSSA-N 1 0 376.884 4.343 20 0 GIADRO COc1cc(C)c([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(F)cc2Cl)cc1OC ZINC000056154172 823090733 /nfs/dbraw/zinc/09/07/33/823090733.db2.gz BNLFOHYHHRLIPD-OLZOCXBDSA-N 1 0 394.874 4.483 20 0 GIADRO CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@@H](C)c2cncc(Br)c2)c1 ZINC000570816224 823090946 /nfs/dbraw/zinc/09/09/46/823090946.db2.gz JRGYYIJYVCBFGF-KGLIPLIRSA-N 1 0 390.325 4.223 20 0 GIADRO CCCOc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(N(C)C)cc2)cc1OC ZINC000056161829 823092543 /nfs/dbraw/zinc/09/25/43/823092543.db2.gz GPBCQFMCWUWCPG-SJORKVTESA-N 1 0 399.535 4.228 20 0 GIADRO 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 ZINC000458821161 823092075 /nfs/dbraw/zinc/09/20/75/823092075.db2.gz SSPMJNJPYQJZNB-DKKFBQAASA-N 1 0 397.485 4.094 20 0 GIADRO CCCOc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccnc2Cl)cc1OC ZINC000056161919 823092783 /nfs/dbraw/zinc/09/27/83/823092783.db2.gz HFEGNHHPYFGJMP-KGLIPLIRSA-N 1 0 391.899 4.210 20 0 GIADRO CCCOc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(OC)cc2)cc1OC ZINC000056161915 823092898 /nfs/dbraw/zinc/09/28/98/823092898.db2.gz DBHWIQMTSSMURT-CVEARBPZSA-N 1 0 386.492 4.170 20 0 GIADRO CCSc1cccc(NC(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)c1 ZINC000176004400 823093160 /nfs/dbraw/zinc/09/31/60/823093160.db2.gz KEBNYKUKRRRJKE-UHFFFAOYSA-N 1 0 399.560 4.077 20 0 GIADRO Cc1cnc(CC[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)c(C)c1 ZINC000570838917 823093869 /nfs/dbraw/zinc/09/38/69/823093869.db2.gz JFQCSYAATVZSLK-HYBUGGRVSA-N 1 0 388.515 4.345 20 0 GIADRO CC(C)(C)OC1CC([NH+]2CCN(CCc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000570848189 823094931 /nfs/dbraw/zinc/09/49/31/823094931.db2.gz OWWHIQVHZBSNHE-UHFFFAOYSA-N 1 0 385.379 4.500 20 0 GIADRO CC(=O)c1ccc(NC(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1C ZINC000570853085 823095778 /nfs/dbraw/zinc/09/57/78/823095778.db2.gz DXYKWAQHFQRAJH-NHCUHLMSSA-N 1 0 391.515 4.183 20 0 GIADRO O=C(CCc1ccc(F)cc1F)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000570854034 823096044 /nfs/dbraw/zinc/09/60/44/823096044.db2.gz BQERQSWNPMUPPF-IBGZPJMESA-N 1 0 386.486 4.316 20 0 GIADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000176015705 823096458 /nfs/dbraw/zinc/09/64/58/823096458.db2.gz VFLFADZNCIYLLU-UHFFFAOYSA-N 1 0 385.352 4.232 20 0 GIADRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)N[C@@H](C)c2ccc(Oc3ccccc3)cc2)C1(C)C ZINC000187617511 823098487 /nfs/dbraw/zinc/09/84/87/823098487.db2.gz VUDCXDVVJXICLZ-LERMDLETSA-N 1 0 382.504 4.189 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(OC(C)(C)C)cc1 ZINC000176024655 823098512 /nfs/dbraw/zinc/09/85/12/823098512.db2.gz LBAOGVXUZYXSDI-HXUWFJFHSA-N 1 0 380.532 4.458 20 0 GIADRO COc1cc(NC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)c(C)c(OC)c1 ZINC000570867656 823099023 /nfs/dbraw/zinc/09/90/23/823099023.db2.gz OUENHCYHVIPIKK-GOSISDBHSA-N 1 0 391.899 4.090 20 0 GIADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)C2(c3cc(F)cc(C(F)(F)F)c3)CC2)C1 ZINC000187620991 823099109 /nfs/dbraw/zinc/09/91/09/823099109.db2.gz YSOMMUWOCDXGOB-AWEZNQCLSA-N 1 0 386.433 4.066 20 0 GIADRO Cc1cccnc1[C@@H]([NH2+]C[C@H](O)COc1cccc(C(F)(F)F)c1)C(C)C ZINC000120996470 823099524 /nfs/dbraw/zinc/09/95/24/823099524.db2.gz VYCPLMMUSILGHQ-WMZOPIPTSA-N 1 0 382.426 4.135 20 0 GIADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC000176029194 823099859 /nfs/dbraw/zinc/09/98/59/823099859.db2.gz COGPSBITTNRGLA-UHFFFAOYSA-N 1 0 399.457 4.334 20 0 GIADRO C[NH+](C)Cc1ccccc1NC(=O)c1cc2sc(N3CCCC3)nc2s1 ZINC000570873206 823100022 /nfs/dbraw/zinc/10/00/22/823100022.db2.gz SKJSFIHXKDNNKL-UHFFFAOYSA-N 1 0 386.546 4.272 20 0 GIADRO CCN(C(=O)NC[C@H](c1ccc(SC)cc1)[NH+](C)C)[C@@H](C)c1cccnc1 ZINC000458877104 823100404 /nfs/dbraw/zinc/10/04/04/823100404.db2.gz AUCNVJAOIBJISH-OXJNMPFZSA-N 1 0 386.565 4.199 20 0 GIADRO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H](c2ccco2)N2CCCCC2)c(C)c1 ZINC000121000687 823100465 /nfs/dbraw/zinc/10/04/65/823100465.db2.gz JFMDTXGIKJXWAQ-CTNGQTDRSA-N 1 0 383.536 4.430 20 0 GIADRO Fc1ccc2cc(C[N@@H+]3C[C@H]4CCC[C@@]4(c4nc(CC5CC5)no4)C3)[nH]c2c1 ZINC000570877024 823100499 /nfs/dbraw/zinc/10/04/99/823100499.db2.gz TUGNISNZFAAZDN-OPAMFIHVSA-N 1 0 380.467 4.196 20 0 GIADRO CSc1ccc([C@@H](CNC(=O)N(Cc2cccnc2)C(C)C)[NH+](C)C)cc1 ZINC000458888031 823101965 /nfs/dbraw/zinc/10/19/65/823101965.db2.gz IBIIZWYPNPGUGW-HXUWFJFHSA-N 1 0 386.565 4.026 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]Cc2c(OC)ccc3ccccc32)cc1 ZINC000121008506 823101949 /nfs/dbraw/zinc/10/19/49/823101949.db2.gz XSJICIQTNRQWKA-MRXNPFEDSA-N 1 0 398.528 4.461 20 0 GIADRO Cc1nc(COc2ccc(N[C@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)C3)cc2)no1 ZINC000121010355 823102350 /nfs/dbraw/zinc/10/23/50/823102350.db2.gz WGLORKKPPWDESL-UZLBHIALSA-N 1 0 378.476 4.032 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)N[C@H]1CCCc2c(F)cccc21 ZINC000458908019 823104742 /nfs/dbraw/zinc/10/47/42/823104742.db2.gz SDUIFJMYAXJVLN-IBGZPJMESA-N 1 0 375.513 4.038 20 0 GIADRO Clc1ccc(SCC[NH2+][C@@H]2CCCc3c2cnn3-c2ncccn2)cc1 ZINC000570901068 823105003 /nfs/dbraw/zinc/10/50/03/823105003.db2.gz HXGZCRGENDHPHP-QGZVFWFLSA-N 1 0 385.924 4.075 20 0 GIADRO CSc1ccc([C@@H](CNC(=O)N(C)[C@@H](C)c2cccs2)[NH+](C)C)cc1 ZINC000458909082 823105130 /nfs/dbraw/zinc/10/51/30/823105130.db2.gz YANUCOUTXADZAN-WMLDXEAASA-N 1 0 377.579 4.475 20 0 GIADRO CCc1ccc(OCc2nnc(SC[C@@H]3CC[N@H+](C)C3)n2CC(C)C)cc1 ZINC000187650097 823105148 /nfs/dbraw/zinc/10/51/48/823105148.db2.gz GMCXLUSODCEWJV-GOSISDBHSA-N 1 0 388.581 4.119 20 0 GIADRO CC(C)CC[N@@H+]1Cc2cccc(NC(=O)CCCc3nc(C4CC4)no3)c2C1 ZINC000121027852 823105222 /nfs/dbraw/zinc/10/52/22/823105222.db2.gz FTBUJAGZKLKVHQ-UHFFFAOYSA-N 1 0 382.508 4.270 20 0 GIADRO C[C@@H](Nc1ccc(CC[NH+]2CCCCC2)cc1)C(=O)Nc1cccnc1Cl ZINC000056216170 823105302 /nfs/dbraw/zinc/10/53/02/823105302.db2.gz NLPZNZROUUUDMH-MRXNPFEDSA-N 1 0 386.927 4.203 20 0 GIADRO C[N@@H+]1CC[C@H](CSc2nnc(-c3ccccc3F)n2Cc2ccccc2)C1 ZINC000187651346 823105500 /nfs/dbraw/zinc/10/55/00/823105500.db2.gz CAYSOLCXVYSZFT-KRWDZBQOSA-N 1 0 382.508 4.176 20 0 GIADRO C[C@H](NC(=O)N[C@H](c1ccsc1)c1ccc(Cl)cc1)[C@H]1CCC[NH2+]C1 ZINC000570911166 823106518 /nfs/dbraw/zinc/10/65/18/823106518.db2.gz KTXCVKFXWGNUDB-YEWWUXTCSA-N 1 0 377.941 4.178 20 0 GIADRO c1csc(-c2nnc(SCCC[NH+]3CCCCC3)n2C[C@@H]2CCCO2)c1 ZINC000187659442 823107209 /nfs/dbraw/zinc/10/72/09/823107209.db2.gz MGXQSSBEBALRLI-INIZCTEOSA-N 1 0 392.594 4.154 20 0 GIADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC000570930654 823108727 /nfs/dbraw/zinc/10/87/27/823108727.db2.gz DAJHXOHYQQMMEK-WMQCIHAUSA-N 1 0 392.971 4.276 20 0 GIADRO COc1cc(NC(=O)CC[NH2+]C[C@@H]2CCc3ccccc32)c(OC)cc1Cl ZINC000570921020 823108017 /nfs/dbraw/zinc/10/80/17/823108017.db2.gz IFLCVOHPGMQBKB-HNNXBMFYSA-N 1 0 388.895 4.005 20 0 GIADRO COc1ccccc1Nc1ccccc1C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000570921580 823108040 /nfs/dbraw/zinc/10/80/40/823108040.db2.gz GMIGHAZKZCJKEP-UHFFFAOYSA-N 1 0 379.504 4.186 20 0 GIADRO CC[C@@H]1CCCC[C@H]1CNC(=O)N1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000458941807 823109781 /nfs/dbraw/zinc/10/97/81/823109781.db2.gz MPIZQVHEPYCMNZ-QRVBRYPASA-N 1 0 392.613 4.131 20 0 GIADRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)N[C@@H]3C[C@@H](C)Oc4ccccc43)C2)CC1 ZINC000458948128 823109965 /nfs/dbraw/zinc/10/99/65/823109965.db2.gz OZWIOYPKZUIPIB-SVFBPWRDSA-N 1 0 385.552 4.052 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)C1 ZINC000187670111 823109951 /nfs/dbraw/zinc/10/99/51/823109951.db2.gz DNZPOMXWIUFXTM-CQSZACIVSA-N 1 0 396.409 4.259 20 0 GIADRO CCn1c(-c2sccc2C)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000570945635 823110368 /nfs/dbraw/zinc/11/03/68/823110368.db2.gz IHBZJZDMJSIGKA-ZWKOTPCHSA-N 1 0 387.597 4.426 20 0 GIADRO CCCOc1c(Br)cc(C[NH2+][C@H](C)c2cc[nH]c(=O)c2)cc1OC ZINC000570945102 823110401 /nfs/dbraw/zinc/11/04/01/823110401.db2.gz PTWBPHNGDCRDDG-GFCCVEGCSA-N 1 0 395.297 4.198 20 0 GIADRO CCn1c(-c2sccc2C)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000570945634 823110419 /nfs/dbraw/zinc/11/04/19/823110419.db2.gz IHBZJZDMJSIGKA-ROUUACIJSA-N 1 0 387.597 4.426 20 0 GIADRO COc1cccc(C[C@H]([NH2+]C2CCN(C(=O)C3CCCCC3)CC2)C2CC2)c1 ZINC000121058889 823110608 /nfs/dbraw/zinc/11/06/08/823110608.db2.gz JKADIKDKUBWUPQ-QHCPKHFHSA-N 1 0 384.564 4.177 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@@H](C)C[C@@H](O)c2ccc(F)cc2)cc(OC)c1OC ZINC000121061703 823111495 /nfs/dbraw/zinc/11/14/95/823111495.db2.gz FUSYBJZJDFPMLE-SUNYJGFJSA-N 1 0 377.456 4.014 20 0 GIADRO O=C(NCC1(c2cccc(Cl)c2)CC1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000121069194 823112222 /nfs/dbraw/zinc/11/22/22/823112222.db2.gz RVNUROMTJNJOGH-IBGZPJMESA-N 1 0 375.944 4.032 20 0 GIADRO COc1ccccc1[C@H](CN[C@H](c1ncc[nH]1)c1ccc(F)cc1)[NH+]1CCCC1 ZINC000187685379 823112757 /nfs/dbraw/zinc/11/27/57/823112757.db2.gz VTABTZWCCQWVLD-UNMCSNQZSA-N 1 0 394.494 4.074 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](c2ccc(F)c(Cl)c2)C2CC2)[C@H](C)C1 ZINC000459002773 823115314 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392.952 4.248 20 0 GIADRO C[NH+](C)CCN(Cc1ccco1)C(=O)N[C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000459013306 823116701 /nfs/dbraw/zinc/11/67/01/823116701.db2.gz ODFSNMPZHZAGJK-IBGZPJMESA-N 1 0 393.890 4.297 20 0 GIADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000459018717 823117382 /nfs/dbraw/zinc/11/73/82/823117382.db2.gz QXRPAERJOLCFDG-BFUOFWGJSA-N 1 0 381.923 4.302 20 0 GIADRO O=C(N[C@@H](c1ccc(F)c(Cl)c1)C1CC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000459020644 823117688 /nfs/dbraw/zinc/11/76/88/823117688.db2.gz SEAHWTSSUBSZAE-AUUYWEPGSA-N 1 0 379.907 4.058 20 0 GIADRO C[C@@H](c1ccc(S(C)(=O)=O)cc1)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000187711153 823118233 /nfs/dbraw/zinc/11/82/33/823118233.db2.gz NVDXSCXRWZEVPR-MOPGFXCFSA-N 1 0 392.609 4.128 20 0 GIADRO CC/C=C\CNC(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000459031386 823118978 /nfs/dbraw/zinc/11/89/78/823118978.db2.gz ZFBVJPISUHANMZ-DAXSKMNVSA-N 1 0 394.357 4.021 20 0 GIADRO CC(C)Oc1ccc(C[NH+]2CCC(C(=O)N3CCCCC3)CC2)cc1Cl ZINC000187723955 823120061 /nfs/dbraw/zinc/12/00/61/823120061.db2.gz YCBUCQDLLIIWLL-UHFFFAOYSA-N 1 0 378.944 4.352 20 0 GIADRO CCOc1ccc(/C=C/C(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)cc1C ZINC000187723354 823120094 /nfs/dbraw/zinc/12/00/94/823120094.db2.gz GDTVPQZEHITAGJ-PKNBQFBNSA-N 1 0 394.515 4.002 20 0 GIADRO C[C@H]([NH2+]CC1=CCN(C(=O)OC(C)(C)C)CC1)c1ccc(-n2ccnc2)cc1 ZINC000187746677 823124327 /nfs/dbraw/zinc/12/43/27/823124327.db2.gz UUKGGJVLDWVUDR-KRWDZBQOSA-N 1 0 382.508 4.090 20 0 GIADRO COc1ccc(-c2noc(C[N@@H+]3CCC[C@@H]3Cc3ccc(F)cc3)n2)c(OC)c1 ZINC000056304825 823124326 /nfs/dbraw/zinc/12/43/26/823124326.db2.gz FRWYUFQIZCPBBF-QGZVFWFLSA-N 1 0 397.450 4.100 20 0 GIADRO CCC(CC)c1cc(C[NH2+][C@H](C)CC(=O)Nc2ccc(OC)cc2OC)on1 ZINC000121119511 823121834 /nfs/dbraw/zinc/12/18/34/823121834.db2.gz BDYNJAKNWOWJFW-CQSZACIVSA-N 1 0 389.496 4.102 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)c2cc(F)c(F)cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000176112897 823124532 /nfs/dbraw/zinc/12/45/32/823124532.db2.gz AVJSONFVCSRHMJ-UKRRQHHQSA-N 1 0 378.850 4.401 20 0 GIADRO COCc1cc([C@H](C)[NH2+]CC2=CCN(C(=O)OC(C)(C)C)CC2)ccc1OC ZINC000187742164 823123224 /nfs/dbraw/zinc/12/32/24/823123224.db2.gz RPQYXFWHHYRCQK-INIZCTEOSA-N 1 0 390.524 4.059 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)N1CCCC[C@H]1c1ccc(F)cc1F ZINC000459073667 823124150 /nfs/dbraw/zinc/12/41/50/823124150.db2.gz DFQPTCQJVBESPL-FQEVSTJZSA-N 1 0 377.479 4.218 20 0 GIADRO CCc1ncc(C[NH2+]C[C@H](O)COc2ccc(C(C)(C)c3ccccc3)cc2)o1 ZINC000571040256 823124131 /nfs/dbraw/zinc/12/41/31/823124131.db2.gz YUMCZIVAPVTHQW-FQEVSTJZSA-N 1 0 394.515 4.092 20 0 GIADRO COc1ccccc1N1CCC([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000187752555 823125522 /nfs/dbraw/zinc/12/55/22/823125522.db2.gz FOPCRLXAEKNSSH-UHFFFAOYSA-N 1 0 375.856 4.015 20 0 GIADRO C[C@H]1C[C@@H](NC(=O)c2ccccc2C(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000176117315 823125739 /nfs/dbraw/zinc/12/57/39/823125739.db2.gz KBIIJDUTRFXFBP-RDJZCZTQSA-N 1 0 376.422 4.488 20 0 GIADRO C[C@H](C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1cc2ccccc2o1 ZINC000176117139 823125872 /nfs/dbraw/zinc/12/58/72/823125872.db2.gz FLFJAEIUFXWEQP-INIZCTEOSA-N 1 0 380.463 4.456 20 0 GIADRO CCN(C(=O)NCc1cnc(C)cc1C)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000459090435 823126386 /nfs/dbraw/zinc/12/63/86/823126386.db2.gz ZJYXXVFVQLYPQN-UGKGYDQZSA-N 1 0 380.536 4.065 20 0 GIADRO Cc1cc(C(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)c2nccc(C)c2c1 ZINC000571065528 823126843 /nfs/dbraw/zinc/12/68/43/823126843.db2.gz DKZBYMPCVVAYMQ-UHFFFAOYSA-N 1 0 377.488 4.181 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)N1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 ZINC000459095136 823127289 /nfs/dbraw/zinc/12/72/89/823127289.db2.gz HOPSDVXCVJLTOH-ZLNRFVROSA-N 1 0 381.564 4.371 20 0 GIADRO COc1cc([C@@H](C)[NH2+]CC2(c3ccc(Cl)cc3)CCOCC2)c(F)cn1 ZINC000571072489 823128101 /nfs/dbraw/zinc/12/81/01/823128101.db2.gz RBOWIFMRTFQHRD-CQSZACIVSA-N 1 0 378.875 4.282 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)c2c(F)c(F)cc(F)c2F)CC[N@@H+]1Cc1ccccc1 ZINC000176123811 823128276 /nfs/dbraw/zinc/12/82/76/823128276.db2.gz OYHNCVHNPOBZHA-TZMCWYRMSA-N 1 0 380.385 4.026 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)N1CCC[C@H]1[C@@H]1CCCOC1 ZINC000571076255 823128526 /nfs/dbraw/zinc/12/85/26/823128526.db2.gz PCQPTQFSZLBMTB-PKTZIBPZSA-N 1 0 399.579 4.163 20 0 GIADRO COCc1c2ccccc2oc1C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000056326518 823128530 /nfs/dbraw/zinc/12/85/30/823128530.db2.gz LKBQWVDQYNUSSV-UHFFFAOYSA-N 1 0 378.472 4.470 20 0 GIADRO CC(C)Oc1ccc([C@H](CNC(=O)c2c(F)cccc2Cl)[NH+](C)C)cc1 ZINC000571078348 823128676 /nfs/dbraw/zinc/12/86/76/823128676.db2.gz KSZCNXPXAAOQQZ-SFHVURJKSA-N 1 0 378.875 4.299 20 0 GIADRO O=C(Cc1coc(-c2ccccc2)n1)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000056327100 823128788 /nfs/dbraw/zinc/12/87/88/823128788.db2.gz XYCOOMPAZAPHBU-UHFFFAOYSA-N 1 0 375.472 4.161 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)/C=C/c2ccnc3ccccc23)CC1 ZINC000176125233 823129141 /nfs/dbraw/zinc/12/91/41/823129141.db2.gz IWAPSSWYSPRAOK-VAWYXSNFSA-N 1 0 385.511 4.371 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C2(Cc3ccc(OC(F)(F)F)cc3)CC2)[C@H](C)C1 ZINC000187769604 823129369 /nfs/dbraw/zinc/12/93/69/823129369.db2.gz GGLAHLYAAVIKFJ-QAPCUYQASA-N 1 0 398.469 4.097 20 0 GIADRO O=C(CCC(=O)c1ccc(F)cc1F)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000056332536 823129782 /nfs/dbraw/zinc/12/97/82/823129782.db2.gz UTVFBPHDWIQKEU-UHFFFAOYSA-N 1 0 386.442 4.205 20 0 GIADRO CCC[N@H+](CCc1ccccn1)Cc1cc(O)c(OC)cc1Br ZINC000571091426 823130799 /nfs/dbraw/zinc/13/07/99/823130799.db2.gz VOOQYKIWKCHQLQ-UHFFFAOYSA-N 1 0 379.298 4.013 20 0 GIADRO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CCCC(C)(C)C2)C1 ZINC000459123370 823131118 /nfs/dbraw/zinc/13/11/18/823131118.db2.gz VNOQSJKGBXGWJM-ROUUACIJSA-N 1 0 392.613 4.131 20 0 GIADRO C[C@@H]1C[N@H+](CCCNC(=O)Nc2ccc3oc4ccccc4c3c2)CCCO1 ZINC000571120899 823135423 /nfs/dbraw/zinc/13/54/23/823135423.db2.gz DUUVHZSRALBLNH-MRXNPFEDSA-N 1 0 381.476 4.208 20 0 GIADRO C[C@H](C[C@H](O)c1cccs1)[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000121173614 823131881 /nfs/dbraw/zinc/13/18/81/823131881.db2.gz OSPFMCILSDJCSJ-KDOFPFPSSA-N 1 0 392.952 4.108 20 0 GIADRO CC[N@H+](Cc1csc(-c2ccc(C(N)=O)cc2)n1)[C@@H](C)Cc1ccsc1 ZINC000187782375 823132020 /nfs/dbraw/zinc/13/20/20/823132020.db2.gz JJXWTOMMTDASNA-AWEZNQCLSA-N 1 0 385.558 4.424 20 0 GIADRO COc1ccccc1CNC(=O)[C@@H](C)[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000121176883 823132453 /nfs/dbraw/zinc/13/24/53/823132453.db2.gz PLRVXQITYFDJRK-DYVFJYSZSA-N 1 0 390.936 4.180 20 0 GIADRO Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)[C@@H]2CCC[C@@H](C)C2)C1 ZINC000459132239 823132551 /nfs/dbraw/zinc/13/25/51/823132551.db2.gz BLXIKOVGAPEZRD-KCITZHQASA-N 1 0 392.613 4.130 20 0 GIADRO COc1ccc(NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C(F)(F)F)c1 ZINC000571102313 823132666 /nfs/dbraw/zinc/13/26/66/823132666.db2.gz KGJNBAFFZOHOAF-HNNXBMFYSA-N 1 0 378.394 4.175 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCc2ccc(-c3ccccc3)cc21)c1ccc(S(N)(=O)=O)cc1 ZINC000187786672 823132925 /nfs/dbraw/zinc/13/29/25/823132925.db2.gz XFEFOHYEDOFNRP-QMHKHESXSA-N 1 0 392.524 4.339 20 0 GIADRO COc1ccc([C@H](NC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c2ccco2)cc1 ZINC000459137974 823133491 /nfs/dbraw/zinc/13/34/91/823133491.db2.gz AEVNDDYWKBBPOP-UGKGYDQZSA-N 1 0 397.519 4.038 20 0 GIADRO C[C@H](CC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)c1ccc(F)cc1 ZINC000571112130 823133953 /nfs/dbraw/zinc/13/39/53/823133953.db2.gz NYZLEAGQAVSABH-DVECYGJZSA-N 1 0 380.507 4.444 20 0 GIADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@H](C)c2ncc(-c3ccccc3)o2)o1 ZINC000121185024 823134312 /nfs/dbraw/zinc/13/43/12/823134312.db2.gz FGMXOBGGCDFVFM-QGZVFWFLSA-N 1 0 396.491 4.077 20 0 GIADRO CN(C(=O)NCC1(C2CCC2)CCC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000459160195 823136371 /nfs/dbraw/zinc/13/63/71/823136371.db2.gz DIOLMHLMXYBERY-UHFFFAOYSA-N 1 0 375.479 4.015 20 0 GIADRO O=C1C[C@@H]([C@@H]2CCCC[N@@H+]2CC(Cc2ccccc2)Cc2ccccc2)CN1 ZINC000571132050 823138048 /nfs/dbraw/zinc/13/80/48/823138048.db2.gz VEJWMWSTNHSING-RPWUZVMVSA-N 1 0 376.544 4.079 20 0 GIADRO C[C@H](NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)[C@H]1CCC[C@@H](C)C1 ZINC000459179529 823138863 /nfs/dbraw/zinc/13/88/63/823138863.db2.gz XBRRHHKMXGFBLJ-PMPSAXMXSA-N 1 0 377.495 4.259 20 0 GIADRO CC[N@H+](CCC(=O)N[C@@H](c1cccs1)c1ccccc1)CCc1nccs1 ZINC000121205719 823138610 /nfs/dbraw/zinc/13/86/10/823138610.db2.gz PZBJGFBJQGUGBL-OAQYLSRUSA-N 1 0 399.585 4.365 20 0 GIADRO C[N@H+](Cc1ccccn1)[C@H]1CCCN(C(=O)NCC(C)(C)C2=CCCC2)CC1 ZINC000459181123 823139126 /nfs/dbraw/zinc/13/91/26/823139126.db2.gz SQMAJCIZCSJNQK-NRFANRHFSA-N 1 0 384.568 4.214 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)c2ccccc2NCc2cccnc2)CC1 ZINC000176161445 823139822 /nfs/dbraw/zinc/13/98/22/823139822.db2.gz NLSVZXRCYXKBSW-UHFFFAOYSA-N 1 0 394.563 4.278 20 0 GIADRO Cc1nccnc1[C@@H](C)[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000187826903 823141146 /nfs/dbraw/zinc/14/11/46/823141146.db2.gz RGLAKJVOXVCGOO-OAHLLOKOSA-N 1 0 379.426 4.203 20 0 GIADRO Brc1cncc([C@H]([NH2+]Cc2cc(-n3ccnc3)cs2)C2CC2)c1 ZINC000571151302 823141300 /nfs/dbraw/zinc/14/13/00/823141300.db2.gz ZMDDNADELKTHTC-QGZVFWFLSA-N 1 0 389.322 4.332 20 0 GIADRO O=C(Nc1cccc(C[NH2+]CCCCCO)c1)c1ccc(Cl)cc1Cl ZINC000571150854 823141340 /nfs/dbraw/zinc/14/13/40/823141340.db2.gz QGCSYUYJTDMUDH-UHFFFAOYSA-N 1 0 381.303 4.498 20 0 GIADRO CC(=O)c1ccc(NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000121228335 823142911 /nfs/dbraw/zinc/14/29/11/823142911.db2.gz ZMEYEDRKNIWVDS-HTAPYJJXSA-N 1 0 379.504 4.406 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)NCCc2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000121229675 823143175 /nfs/dbraw/zinc/14/31/75/823143175.db2.gz KPYOPFMIFRPQJQ-GCJKJVERSA-N 1 0 383.511 4.063 20 0 GIADRO Cc1cccc([C@@H](C)NC(=O)N2CCC[C@H]([N@H+](C)Cc3ccccn3)CC2)c1 ZINC000459214698 823145870 /nfs/dbraw/zinc/14/58/70/823145870.db2.gz NXNDLOOZQDLCIA-KNQAVFIVSA-N 1 0 380.536 4.147 20 0 GIADRO CCCCN(C)c1ccc(C(F)(F)F)cc1C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000571168715 823143586 /nfs/dbraw/zinc/14/35/86/823143586.db2.gz CINMDSRCHJSLAM-IYBDPMFKSA-N 1 0 397.485 4.013 20 0 GIADRO Cc1nc(-c2ccc(NC(=O)C3CC[NH+]([C@H]4CCSC4)CC3)cc2)cs1 ZINC000571175420 823144530 /nfs/dbraw/zinc/14/45/30/823144530.db2.gz DICFLVABZCSAFJ-SFHVURJKSA-N 1 0 387.574 4.275 20 0 GIADRO C[C@@H](c1nc2ccccc2s1)N(C)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000571181154 823144804 /nfs/dbraw/zinc/14/48/04/823144804.db2.gz ZFMFGADIVYYPGV-LBPRGKRZSA-N 1 0 384.480 4.306 20 0 GIADRO CC[C@H]([NH2+]Cc1ccccc1S(=O)(=O)NC(C)(C)C)c1cccc(F)c1 ZINC000187842867 823144835 /nfs/dbraw/zinc/14/48/35/823144835.db2.gz CPHREIXUUIURPW-SFHVURJKSA-N 1 0 378.513 4.143 20 0 GIADRO Cc1cc(Br)c(C[NH2+][C@@H]2CCC[C@H](N3CCCC3=O)C2)cc1Cl ZINC000571179772 823144819 /nfs/dbraw/zinc/14/48/19/823144819.db2.gz XATHGMOHDXMLIL-CABCVRRESA-N 1 0 399.760 4.434 20 0 GIADRO COc1ccc(NC(=O)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)cc1 ZINC000121237588 823144971 /nfs/dbraw/zinc/14/49/71/823144971.db2.gz XBYGNHNZOZTZGS-UHFFFAOYSA-N 1 0 382.508 4.117 20 0 GIADRO Cc1c2ccccc2oc1[C@@H](C)NC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000056406666 823144921 /nfs/dbraw/zinc/14/49/21/823144921.db2.gz KQOZPEBWSZAMMM-QGZVFWFLSA-N 1 0 392.503 4.161 20 0 GIADRO C[C@@H](C[C@H](O)c1cccs1)[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000121244280 823146396 /nfs/dbraw/zinc/14/63/96/823146396.db2.gz GDKURQKFDJFJAH-KXBFYZLASA-N 1 0 378.969 4.468 20 0 GIADRO C[C@H](C[C@H](O)c1cccs1)[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000121244466 823146449 /nfs/dbraw/zinc/14/64/49/823146449.db2.gz GDKURQKFDJFJAH-BEFAXECRSA-N 1 0 378.969 4.468 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NC[C@@H]1COc2ccccc21 ZINC000571197357 823147013 /nfs/dbraw/zinc/14/70/13/823147013.db2.gz WPXMANAIEKDBIM-GHTZIAJQSA-N 1 0 393.531 4.036 20 0 GIADRO C[C@@H]([NH2+]C1CCN(Cc2ccsc2)CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000121248464 823147199 /nfs/dbraw/zinc/14/71/99/823147199.db2.gz YEGSEZBLTZOIJZ-MRXNPFEDSA-N 1 0 398.576 4.347 20 0 GIADRO C[C@H](Cc1ccc(F)cc1Br)[NH2+]Cc1cnn(CC(F)(F)F)c1 ZINC000571199568 823147466 /nfs/dbraw/zinc/14/74/66/823147466.db2.gz BLZXFQBLAMOHTE-SNVBAGLBSA-N 1 0 394.210 4.068 20 0 GIADRO CC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(CC)CC)cc1)c1cccc(F)c1 ZINC000187858277 823147620 /nfs/dbraw/zinc/14/76/20/823147620.db2.gz WXXZHFJYHUBECF-HXUWFJFHSA-N 1 0 378.513 4.097 20 0 GIADRO CCOCc1cc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)ccc1OC ZINC000571207560 823148623 /nfs/dbraw/zinc/14/86/23/823148623.db2.gz BYUXTRDATAYVPM-VJBWXMMDSA-N 1 0 381.516 4.236 20 0 GIADRO CCN(CCc1ccccc1)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000056441198 823149472 /nfs/dbraw/zinc/14/94/72/823149472.db2.gz MVMPQMKMYVQSNJ-UHFFFAOYSA-N 1 0 383.511 4.064 20 0 GIADRO CN(Cc1cccc(Cl)c1)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000056441630 823149780 /nfs/dbraw/zinc/14/97/80/823149780.db2.gz PPJHEHFOTTZNIW-UHFFFAOYSA-N 1 0 389.902 4.285 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)N1CCC(c2ccccc2)CC1 ZINC000056441359 823149785 /nfs/dbraw/zinc/14/97/85/823149785.db2.gz KNABDNGNPRWETQ-UHFFFAOYSA-N 1 0 395.522 4.379 20 0 GIADRO C[C@@H](C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1)c1cc2ccccc2o1 ZINC000176198098 823150565 /nfs/dbraw/zinc/15/05/65/823150565.db2.gz MJXIWNCHAKGNOM-OAHLLOKOSA-N 1 0 379.460 4.065 20 0 GIADRO C[N@@H+]1CCC[C@@H](CCNC(=O)N(Cc2c(F)cccc2F)C2CCCC2)C1 ZINC000459245154 823150995 /nfs/dbraw/zinc/15/09/95/823150995.db2.gz BGVNVGQASJTQGF-INIZCTEOSA-N 1 0 379.495 4.151 20 0 GIADRO C[N@@H+]1CCC[C@H](CCNC(=O)N(Cc2cc(F)ccc2F)C2CCCC2)C1 ZINC000459250063 823151638 /nfs/dbraw/zinc/15/16/38/823151638.db2.gz FIETVHYVBLBLSO-MRXNPFEDSA-N 1 0 379.495 4.151 20 0 GIADRO O=C(c1ccc(C[NH+]2CCCC2)cc1)N1C[C@@H]2CCCCN2c2ccccc21 ZINC000571237140 823153498 /nfs/dbraw/zinc/15/34/98/823153498.db2.gz HPLZWXHJLFQVGF-NRFANRHFSA-N 1 0 375.516 4.302 20 0 GIADRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3csc(-c4ccc(Cl)cc4)n3)[C@H]2C1 ZINC000571240119 823153677 /nfs/dbraw/zinc/15/36/77/823153677.db2.gz LHQCXLHJOLUXKZ-ZYSHUDEJSA-N 1 0 389.952 4.200 20 0 GIADRO C[N@@H+]1CCC[C@H](CCNC(=O)N2CCc3sccc3[C@H]2c2cccs2)C1 ZINC000459266032 823153808 /nfs/dbraw/zinc/15/38/08/823153808.db2.gz OYLNZONWUQBLPY-BEFAXECRSA-N 1 0 389.590 4.199 20 0 GIADRO C[C@@H]([NH2+]CC(=O)NCc1cc(F)cc(F)c1)c1ccc(Oc2cccnc2)cc1 ZINC000571240601 823154087 /nfs/dbraw/zinc/15/40/87/823154087.db2.gz PYOKAZCBNDNPBD-OAHLLOKOSA-N 1 0 397.425 4.119 20 0 GIADRO CCCc1c(NC(=O)NC2CC[NH+](CCC)CC2)cnn1-c1cccc(C)c1 ZINC000571249233 823155616 /nfs/dbraw/zinc/15/56/16/823155616.db2.gz VANDJYZOMXFHCM-UHFFFAOYSA-N 1 0 383.540 4.129 20 0 GIADRO COc1ccc(F)cc1CNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000187904599 823155755 /nfs/dbraw/zinc/15/57/55/823155755.db2.gz NBOPTQOWKBDRCA-UWJYYQICSA-N 1 0 399.510 4.029 20 0 GIADRO Cc1ccc([C@@H]([NH2+]Cc2cccc([C@@]3(C)NC(=O)NC3=O)c2)C2CCCC2)cc1 ZINC000187917535 823158035 /nfs/dbraw/zinc/15/80/35/823158035.db2.gz RCCPAKYSWWDWSB-XUZZJYLKSA-N 1 0 391.515 4.071 20 0 GIADRO O=C(CCCc1cccs1)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000056479141 823158102 /nfs/dbraw/zinc/15/81/02/823158102.db2.gz OCUREZLRSNNRHO-UHFFFAOYSA-N 1 0 383.561 4.242 20 0 GIADRO c1ccc2c(c1)-c1ccccc1C2[NH+]1CCN(Cc2cnc(C3CC3)nc2)CC1 ZINC000459302493 823158553 /nfs/dbraw/zinc/15/85/53/823158553.db2.gz DTFKMNRRPYDURU-UHFFFAOYSA-N 1 0 382.511 4.242 20 0 GIADRO C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3ccc(OCC(F)(F)F)cc3)CC2)C1 ZINC000056494338 823159147 /nfs/dbraw/zinc/15/91/47/823159147.db2.gz FRXFKDZSWMJIEC-MRXNPFEDSA-N 1 0 398.469 4.098 20 0 GIADRO COc1ccc(Oc2cc(C[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCCC4)ccn2)cc1 ZINC000121303821 823159138 /nfs/dbraw/zinc/15/91/38/823159138.db2.gz VZVSDQWISUDILI-FCEUIQTBSA-N 1 0 380.488 4.320 20 0 GIADRO O=C(Nc1cccc(N2CCCCC2)c1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000056501852 823159704 /nfs/dbraw/zinc/15/97/04/823159704.db2.gz ODHLSUUIBHYTDQ-UHFFFAOYSA-N 1 0 392.547 4.463 20 0 GIADRO CC(=O)c1cccc(OC[C@@H](O)C[NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)c1 ZINC000121306575 823159939 /nfs/dbraw/zinc/15/99/39/823159939.db2.gz SGAIKMHEBZOPDM-UPVQGACJSA-N 1 0 393.458 4.147 20 0 GIADRO C[N@@H+]1CCC[C@H](CCNC(=O)N(Cc2ccccc2)Cc2ccc(F)cc2)C1 ZINC000459310424 823160010 /nfs/dbraw/zinc/16/00/10/823160010.db2.gz NMJCEXWPVCUTEU-HXUWFJFHSA-N 1 0 383.511 4.269 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)Nc1ccccc1F ZINC000056515993 823160144 /nfs/dbraw/zinc/16/01/44/823160144.db2.gz MROSBOMOJWBPGO-UHFFFAOYSA-N 1 0 394.288 4.184 20 0 GIADRO COc1cccc(C[C@H]([NH2+]CC2CCN(Cc3nc(C)c(C)o3)CC2)C2CC2)c1 ZINC000121340600 823166078 /nfs/dbraw/zinc/16/60/78/823166078.db2.gz DZKPILHZCXKCBK-QHCPKHFHSA-N 1 0 397.563 4.123 20 0 GIADRO CC[NH+]1CCC(CNC(=O)c2cc(Cl)c(OCCC(C)C)c(OC)c2)CC1 ZINC000571305978 823163101 /nfs/dbraw/zinc/16/31/01/823163101.db2.gz ASWLUCYASCDJLA-UHFFFAOYSA-N 1 0 396.959 4.235 20 0 GIADRO C[C@@H]1CC[C@@](CO)([N@H+](C)CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)C1 ZINC000187954735 823163232 /nfs/dbraw/zinc/16/32/32/823163232.db2.gz UPKKRJAIGHGQFT-QLJPJBMISA-N 1 0 379.715 4.068 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)N2CC[C@H](C(F)(F)F)C(C)(C)C2)c1 ZINC000187955148 823163577 /nfs/dbraw/zinc/16/35/77/823163577.db2.gz YPXUSCNPLDDCCE-KRWDZBQOSA-N 1 0 385.474 4.258 20 0 GIADRO c1cn2c(CN3CC[C@]4(CC[N@H+](Cc5ccccc5)C4)C3)c(C3CC3)nc2s1 ZINC000571328726 823166189 /nfs/dbraw/zinc/16/61/89/823166189.db2.gz SDWFWZXQYJOEAS-QHCPKHFHSA-N 1 0 392.572 4.371 20 0 GIADRO C[C@@H]1CN(c2ccccc2C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)CCO1 ZINC000459334688 823163665 /nfs/dbraw/zinc/16/36/65/823163665.db2.gz ABIZCMBIPDPGMP-CYBMUJFWSA-N 1 0 396.375 4.228 20 0 GIADRO Cc1coc2ccc(NC(=O)N3CCC(CC[NH+]4C[C@H](C)O[C@@H](C)C4)CC3)cc12 ZINC000187959115 823163875 /nfs/dbraw/zinc/16/38/75/823163875.db2.gz TZAAMLLHIDAJIX-ROUUACIJSA-N 1 0 399.535 4.484 20 0 GIADRO CC1(C)CC(NC(=O)Nc2ccccc2OC[C@@H]2CCCCO2)CC(C)(C)[NH2+]1 ZINC000056541120 823164568 /nfs/dbraw/zinc/16/45/68/823164568.db2.gz DKHOANVCOQXRGJ-KRWDZBQOSA-N 1 0 389.540 4.065 20 0 GIADRO CCOc1cc(C[N@H+](CC)Cc2ccc(C(=O)N(C)C)cc2)cc(Cl)c1O ZINC000459339363 823164874 /nfs/dbraw/zinc/16/48/74/823164874.db2.gz NRAUXJCYPZFLED-UHFFFAOYSA-N 1 0 390.911 4.168 20 0 GIADRO c1c(CN2CC[C@@H]([NH+]3CCCCC3)C2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459339255 823164904 /nfs/dbraw/zinc/16/49/04/823164904.db2.gz NMRGJMHDNNJDEW-OAQYLSRUSA-N 1 0 379.552 4.120 20 0 GIADRO CCc1ccc(CCNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)cc1 ZINC000176258675 823165290 /nfs/dbraw/zinc/16/52/90/823165290.db2.gz VWPSYOPGTUMGMI-UHFFFAOYSA-N 1 0 379.548 4.098 20 0 GIADRO C[C@@H]1CN(c2ccccc2C[N@@H+](Cc2ccccc2)CC2CCOCC2)CCO1 ZINC000459342022 823165563 /nfs/dbraw/zinc/16/55/63/823165563.db2.gz GRZOSJQGWCXZDU-OAQYLSRUSA-N 1 0 394.559 4.341 20 0 GIADRO Clc1ccc([C@@H](Cc2cccnc2)[NH2+]C[C@@H]2CCCN2c2cccnn2)cc1 ZINC000571335321 823166798 /nfs/dbraw/zinc/16/67/98/823166798.db2.gz MVBKBHRTZAMYPK-LEWJYISDSA-N 1 0 393.922 4.067 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1cccc(C(=O)NC2CC2)c1)c1cccc2ccccc21 ZINC000121346296 823167347 /nfs/dbraw/zinc/16/73/47/823167347.db2.gz RCZDJEJKVNMMJK-INIZCTEOSA-N 1 0 387.483 4.021 20 0 GIADRO FC(F)(F)c1cccc(CN2CCC([NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCC4)CC2)c1 ZINC000121347776 823167593 /nfs/dbraw/zinc/16/75/93/823167593.db2.gz WLRHCEZJAMMPCG-AQNXPRMDSA-N 1 0 394.481 4.217 20 0 GIADRO CC(=O)Nc1ccc(C)c(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)c1 ZINC000187991615 823168288 /nfs/dbraw/zinc/16/82/88/823168288.db2.gz NBMXKRNRRPOOTK-NRFANRHFSA-N 1 0 399.922 4.174 20 0 GIADRO Cc1occc1CN(C)C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000056555524 823168756 /nfs/dbraw/zinc/16/87/56/823168756.db2.gz AZLAJNBZXLQUOX-IBGZPJMESA-N 1 0 375.900 4.220 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+][C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000571349999 823169104 /nfs/dbraw/zinc/16/91/04/823169104.db2.gz UVNPVFXNKWVWRM-VDGAXYAQSA-N 1 0 385.577 4.413 20 0 GIADRO Cc1nccnc1[C@H](C)[NH2+]CCSCCOc1cccc(Br)c1 ZINC000187999341 823169482 /nfs/dbraw/zinc/16/94/82/823169482.db2.gz QROVVLIRXDCHIV-AWEZNQCLSA-N 1 0 396.354 4.010 20 0 GIADRO COc1ccc(-c2ccccc2C)cc1C[N@@H+]1CCCC[C@H]1[C@@H]1CNC(=O)C1 ZINC000459361675 823171919 /nfs/dbraw/zinc/17/19/19/823171919.db2.gz PNIZDPQSRIDTBC-UGKGYDQZSA-N 1 0 378.516 4.161 20 0 GIADRO C[C@H]([NH2+]CCN1CCc2c(Cl)cccc2C1)c1cccc(N2CCOC2=O)c1 ZINC000188005005 823170280 /nfs/dbraw/zinc/17/02/80/823170280.db2.gz NJNOYXOPGSLUNC-INIZCTEOSA-N 1 0 399.922 4.006 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(CC(=O)c2cc(C)n(Cc3cccs3)c2C)C1 ZINC000176278293 823170636 /nfs/dbraw/zinc/17/06/36/823170636.db2.gz IRZYPRQWUOHSIZ-LJQANCHMSA-N 1 0 387.593 4.061 20 0 GIADRO CCCOc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccsc2)c(C)c1 ZINC000459358174 823170796 /nfs/dbraw/zinc/17/07/96/823170796.db2.gz SMTCVKHPJXOOMW-UHFFFAOYSA-N 1 0 375.538 4.441 20 0 GIADRO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1csc(-c2ccc(C(N)=O)cc2)n1 ZINC000121370966 823172076 /nfs/dbraw/zinc/17/20/76/823172076.db2.gz ORQGYJLDHYLVPE-KBXCAEBGSA-N 1 0 395.503 4.426 20 0 GIADRO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H](C)c2ccccc2Cl)c(OC)c1 ZINC000121373606 823172652 /nfs/dbraw/zinc/17/26/52/823172652.db2.gz CKODXXTVKJIHHW-UONOGXRCSA-N 1 0 376.884 4.425 20 0 GIADRO O=C(Nc1ccccc1O)C1CC[NH+](Cc2ccc(CSC(F)F)o2)CC1 ZINC000121377663 823173489 /nfs/dbraw/zinc/17/34/89/823173489.db2.gz PDEGXTUOKCKYHK-UHFFFAOYSA-N 1 0 396.459 4.292 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(N[C@@H](c2ncc[nH]2)c2ccc(F)cc2)CC1 ZINC000188024990 823173755 /nfs/dbraw/zinc/17/37/55/823173755.db2.gz NEVBVFKPJMGLIO-VGOFRKELSA-N 1 0 378.495 4.453 20 0 GIADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCC3)nc2)[C@H]1Sc1ccccc1 ZINC000459367087 823174014 /nfs/dbraw/zinc/17/40/14/823174014.db2.gz NTWUWSJQAYPIHO-KCZVDYSFSA-N 1 0 383.561 4.110 20 0 GIADRO Cc1ccc(-n2ncc(NC(=O)N3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)c2C(C)C)cc1 ZINC000571377042 823174539 /nfs/dbraw/zinc/17/45/39/823174539.db2.gz WVNZQRRFQRLJBZ-WIYYLYMNSA-N 1 0 395.551 4.252 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)N1CCC(OCC(C)C)CC1 ZINC000056587488 823175268 /nfs/dbraw/zinc/17/52/68/823175268.db2.gz CANPRPRASZWPQM-UHFFFAOYSA-N 1 0 391.556 4.076 20 0 GIADRO O=C(CC[NH+]1CCN(c2cccs2)CC1)Nc1c(Cl)cccc1Cl ZINC000121389464 823175858 /nfs/dbraw/zinc/17/58/58/823175858.db2.gz CSPCVLFEXSBCLY-UHFFFAOYSA-N 1 0 384.332 4.206 20 0 GIADRO Cc1cc(N2CCC([NH2+]Cc3cnc(-c4ccccc4F)s3)CC2)nc(C)n1 ZINC000571392166 823176816 /nfs/dbraw/zinc/17/68/16/823176816.db2.gz ZGJDLLOGYCCNDK-UHFFFAOYSA-N 1 0 397.523 4.115 20 0 GIADRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1cc(=O)[nH]c(C(C)C)c1 ZINC000121401854 823177749 /nfs/dbraw/zinc/17/77/49/823177749.db2.gz MVCKYZPVOFPKAQ-UHFFFAOYSA-N 1 0 385.533 4.020 20 0 GIADRO Cc1cnc([C@@H]([NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)C2CC2)s1 ZINC000188076889 823182934 /nfs/dbraw/zinc/18/29/34/823182934.db2.gz YGANLZYSPDBOFZ-RJYAGPCLSA-N 1 0 395.528 4.100 20 0 GIADRO COc1ccc(Cl)cc1[C@@H](CC(C)C)NC(=O)N1CCC(CC[NH3+])CC1 ZINC000571410671 823178847 /nfs/dbraw/zinc/17/88/47/823178847.db2.gz KORHOWWHWRSQBW-GOSISDBHSA-N 1 0 381.948 4.206 20 0 GIADRO C[C@@H]([NH2+]C1(CN[C@@H]2CCc3c2cc(F)cc3F)CCOCC1)c1ccccc1 ZINC000121411542 823179989 /nfs/dbraw/zinc/17/99/89/823179989.db2.gz CHSMUSLYGNOQLE-OPAMFIHVSA-N 1 0 386.486 4.442 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2nc3ccccc3s2)o1 ZINC000176314937 823180188 /nfs/dbraw/zinc/18/01/88/823180188.db2.gz KPUGAEKTQGAQTB-CABCVRRESA-N 1 0 381.501 4.255 20 0 GIADRO CCCOc1ccc([C@@H](C)[NH2+]Cc2cc(=O)[nH]c(-c3ccccc3)n2)cc1OC ZINC000459387488 823180326 /nfs/dbraw/zinc/18/03/26/823180326.db2.gz DDWUAFKGJWJAQJ-MRXNPFEDSA-N 1 0 393.487 4.497 20 0 GIADRO CC1CC[NH+](Cc2ccccc2CNC(=O)N2CCC[C@@H]2c2ccccn2)CC1 ZINC000056611386 823180670 /nfs/dbraw/zinc/18/06/70/823180670.db2.gz MBGVDJKIXYCFQF-HSZRJFAPSA-N 1 0 392.547 4.360 20 0 GIADRO Cc1ccc(-c2nnc([C@H](C)[NH2+][C@@H]3CCO[C@@H](c4ccccn4)C3)o2)cc1C ZINC000571422657 823180783 /nfs/dbraw/zinc/18/07/83/823180783.db2.gz OULLNBCTCMSFCE-ILZDJORESA-N 1 0 378.476 4.319 20 0 GIADRO COCCCOc1ccccc1NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176318786 823180944 /nfs/dbraw/zinc/18/09/44/823180944.db2.gz SEYWBVPYQURBBR-UHFFFAOYSA-N 1 0 389.540 4.021 20 0 GIADRO CCC[C@@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)c1ccc(F)cc1F ZINC000571427791 823181302 /nfs/dbraw/zinc/18/13/02/823181302.db2.gz JEHCMTKPAVQSLQ-QFBILLFUSA-N 1 0 382.520 4.140 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(Cn3cnc4ccccc43)cc2)[C@@H]1SC ZINC000459391395 823181367 /nfs/dbraw/zinc/18/13/67/823181367.db2.gz QYDFMMSANAKASF-NNWRFLSQSA-N 1 0 381.545 4.083 20 0 GIADRO [NH3+]C1(c2noc(Cc3c[nH]c4cccc(Br)c34)n2)CCCCC1 ZINC000571432410 823182014 /nfs/dbraw/zinc/18/20/14/823182014.db2.gz XLHVPRFEYRJJLP-UHFFFAOYSA-N 1 0 375.270 4.022 20 0 GIADRO Cc1oc(-c2ccccc2)c(C(=O)N2CCC(OCCC[NH+](C)C)CC2)c1C ZINC000188082556 823183492 /nfs/dbraw/zinc/18/34/92/823183492.db2.gz HKBGGVNBSCEXAQ-UHFFFAOYSA-N 1 0 384.520 4.136 20 0 GIADRO CCOc1ccc(C2(C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCCC4)CCOCC2)cc1 ZINC000121427756 823182389 /nfs/dbraw/zinc/18/23/89/823182389.db2.gz OHZZDDCXZMXRNR-BDTNDASRSA-N 1 0 385.548 4.071 20 0 GIADRO C[NH+](C)Cc1ccnc(NC(=O)C2(c3cc(C(F)(F)F)ccc3Cl)CC2)c1 ZINC000188076704 823182493 /nfs/dbraw/zinc/18/24/93/823182493.db2.gz PPYAIQBGPANLGO-UHFFFAOYSA-N 1 0 397.828 4.486 20 0 GIADRO FC(F)(F)c1cc([C@H]2CN(CCc3cn[nH]c3)CCO2)cc(C(F)(F)F)c1 ZINC000459399187 823183475 /nfs/dbraw/zinc/18/34/75/823183475.db2.gz APNIOTMQTWLRCP-OAHLLOKOSA-N 1 0 393.331 4.063 20 0 GIADRO COc1cc(C[N@H+](C[C@H](C)c2ccccc2)[C@@H](C)CO)ccc1OC(F)F ZINC000571448414 823184143 /nfs/dbraw/zinc/18/41/43/823184143.db2.gz GCQWQEVTDFEKJS-HOTGVXAUSA-N 1 0 379.447 4.283 20 0 GIADRO CCO[C@H]1C[C@@H]([NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)C12CCC2 ZINC000459419719 823188573 /nfs/dbraw/zinc/18/85/73/823188573.db2.gz WVWHDDHFQLVEIT-RTWAWAEBSA-N 1 0 380.536 4.498 20 0 GIADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](C)c2ccc(-c3cccnc3)cc2)C1 ZINC000176331998 823184366 /nfs/dbraw/zinc/18/43/66/823184366.db2.gz NPUUGUJAIKKKRP-RBUKOAKNSA-N 1 0 380.536 4.229 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NCc2ccccc2N2CCO[C@@H](C)C2)CC1 ZINC000459405280 823185873 /nfs/dbraw/zinc/18/58/73/823185873.db2.gz FEEUIMPAMMFZML-SFTDATJTSA-N 1 0 393.575 4.227 20 0 GIADRO CC(C)n1cnnc1-c1ccccc1NC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000176339789 823186572 /nfs/dbraw/zinc/18/65/72/823186572.db2.gz QOWYYXSOPWQUJL-UHFFFAOYSA-N 1 0 398.555 4.160 20 0 GIADRO Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+]Cc2ccccc2N2CCO[C@@H](C)C2)cc1 ZINC000459410313 823186794 /nfs/dbraw/zinc/18/67/94/823186794.db2.gz CGWXDLGAAOKZSQ-ZWSUVBHBSA-N 1 0 394.559 4.478 20 0 GIADRO COc1ccc(Cl)cc1C1(C[NH2+][C@@H](C)c2cccc(CO)c2)CCOCC1 ZINC000121454546 823187573 /nfs/dbraw/zinc/18/75/73/823187573.db2.gz VYEGJSWBUIVHMS-INIZCTEOSA-N 1 0 389.923 4.240 20 0 GIADRO COC[C@@H]([NH2+]CCOc1c(Cl)cc(Cl)cc1Cl)C1CCOCC1 ZINC000188117368 823189187 /nfs/dbraw/zinc/18/91/87/823189187.db2.gz CKLCSPHQFGECQI-OAHLLOKOSA-N 1 0 382.715 4.057 20 0 GIADRO Cc1cc(C[N@@H+]2CCCN(CC(F)F)CC2)cc(C)c1OCc1ccccn1 ZINC000571483599 823189690 /nfs/dbraw/zinc/18/96/90/823189690.db2.gz GTNVQMBVBNSZEH-UHFFFAOYSA-N 1 0 389.490 4.050 20 0 GIADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N(CCC(F)(F)F)CC1CC1 ZINC000176351954 823189701 /nfs/dbraw/zinc/18/97/01/823189701.db2.gz MPDGSNAJFHZRSC-OAHLLOKOSA-N 1 0 389.487 4.259 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c2ccccc2O1 ZINC000571521418 823195543 /nfs/dbraw/zinc/19/55/43/823195543.db2.gz PNNRFRMXRMOIKK-KBAYOESNSA-N 1 0 385.533 4.097 20 0 GIADRO Cc1ccc(O[C@@H](C)CNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)cc1 ZINC000176362744 823191478 /nfs/dbraw/zinc/19/14/78/823191478.db2.gz UHALPMHLWFGVLN-FQEVSTJZSA-N 1 0 395.547 4.068 20 0 GIADRO CCOc1cc(C[NH2+]C[C@@H]2CCCO[C@@H]2C(C)C)cc(Br)c1O ZINC000459436724 823191991 /nfs/dbraw/zinc/19/19/91/823191991.db2.gz ZETXDTKRAASJRD-KBXCAEBGSA-N 1 0 386.330 4.094 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N(CCC(F)(F)F)CC1CC1 ZINC000176365394 823191981 /nfs/dbraw/zinc/19/19/81/823191981.db2.gz ZOPGBDHBZFNDOG-UHFFFAOYSA-N 1 0 383.458 4.156 20 0 GIADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1cccc(COCc2ccco2)c1 ZINC000056663716 823192604 /nfs/dbraw/zinc/19/26/04/823192604.db2.gz LWHKESXSSQCDED-QZTJIDSGSA-N 1 0 385.508 4.238 20 0 GIADRO COCCCC[C@H]([NH2+]Cc1cc(=O)[nH]c(-c2ccccc2)n1)c1ccccc1 ZINC000459443589 823193360 /nfs/dbraw/zinc/19/33/60/823193360.db2.gz QJVCRFOJTXHOFD-NRFANRHFSA-N 1 0 377.488 4.497 20 0 GIADRO CC(=O)Nc1c(C)ccc(NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1C ZINC000056690976 823193914 /nfs/dbraw/zinc/19/39/14/823193914.db2.gz BAGFSNDBIHNVBR-UHFFFAOYSA-N 1 0 394.519 4.179 20 0 GIADRO Cc1cc(F)ccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C(F)(F)F ZINC000121492574 823193911 /nfs/dbraw/zinc/19/39/11/823193911.db2.gz HDZMVFOUMYWEPP-UHFFFAOYSA-N 1 0 395.400 4.157 20 0 GIADRO CCOc1cc(C[NH2+]C[C@H](c2ccccc2)C(C)(C)CO)cc(Cl)c1O ZINC000459450758 823194557 /nfs/dbraw/zinc/19/45/57/823194557.db2.gz OURGHQSTPLMGPF-QGZVFWFLSA-N 1 0 377.912 4.336 20 0 GIADRO COc1ccc(-c2ccccc2C)cc1CNC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000459449615 823194641 /nfs/dbraw/zinc/19/46/41/823194641.db2.gz SYPMSPIREQUVPY-ZEQRLZLVSA-N 1 0 394.559 4.138 20 0 GIADRO Cc1cccc([C@H]([NH2+]C[C@H](O)COCc2ccccc2Cl)c2ccccn2)c1 ZINC000571515758 823194868 /nfs/dbraw/zinc/19/48/68/823194868.db2.gz ALXQAQWWLSSCLO-REWPJTCUSA-N 1 0 396.918 4.300 20 0 GIADRO Cc1cnccc1CC[N@H+](Cc1ccco1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000571518847 823195213 /nfs/dbraw/zinc/19/52/13/823195213.db2.gz LRUNFEXWTXGNRQ-UHFFFAOYSA-N 1 0 389.499 4.120 20 0 GIADRO COCC[C@H]([NH2+]Cc1cc(=O)[nH]c(C2CC2)n1)c1ccc(Cl)c(Cl)c1 ZINC000459457834 823196119 /nfs/dbraw/zinc/19/61/19/823196119.db2.gz QEGWDZFMGKSXQF-INIZCTEOSA-N 1 0 382.291 4.234 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)Cc2cc(-c3ccccc3)on2)CC1 ZINC000121504921 823196235 /nfs/dbraw/zinc/19/62/35/823196235.db2.gz VCGPFCZQXIITCV-SFHVURJKSA-N 1 0 389.499 4.226 20 0 GIADRO Cc1csc(C2(NC(=O)[C@H](c3ccc(Cl)cc3)N(C)C)CCCC2)n1 ZINC000571533109 823196822 /nfs/dbraw/zinc/19/68/22/823196822.db2.gz DRKWHNJTPFUTRD-INIZCTEOSA-N 1 0 377.941 4.293 20 0 GIADRO Cc1nccn1C[C@@H](C)C[NH2+][C@H](C)c1ccc(OC(F)F)cc1OC(F)F ZINC000121509018 823197092 /nfs/dbraw/zinc/19/70/92/823197092.db2.gz HDDILVHWUXPSMI-NWDGAFQWSA-N 1 0 389.393 4.381 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ncc(-c3ccc(OC)cc3)o2)C1)CC(F)(F)F ZINC000176392977 823197507 /nfs/dbraw/zinc/19/75/07/823197507.db2.gz AXHRMRDTROYLTD-OAHLLOKOSA-N 1 0 397.441 4.056 20 0 GIADRO C[C@@H]1C[NH+](CCC2CCN(C(=O)Nc3ccccc3Cl)CC2)C[C@@H](C)O1 ZINC000176393190 823197624 /nfs/dbraw/zinc/19/76/24/823197624.db2.gz QIGYQTXLKCPJNA-HZPDHXFCSA-N 1 0 379.932 4.083 20 0 GIADRO Cc1cccc(C)c1NC(=O)C[NH2+][C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000571545051 823198372 /nfs/dbraw/zinc/19/83/72/823198372.db2.gz PFVNIFZRZYVBLC-RXVVDRJESA-N 1 0 389.902 4.069 20 0 GIADRO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)Nc3cccc(Cl)c3)CC2)C[C@H](C)O1 ZINC000176395519 823198600 /nfs/dbraw/zinc/19/86/00/823198600.db2.gz UAUIFZRAJNRPEO-IYBDPMFKSA-N 1 0 379.932 4.083 20 0 GIADRO O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)N1Cc2cccc(F)c2C1 ZINC000459470312 823199047 /nfs/dbraw/zinc/19/90/47/823199047.db2.gz UBMITGAIQHZDMK-UHFFFAOYSA-N 1 0 383.467 4.238 20 0 GIADRO c1c(C[NH2+]Cc2ccc3c(c2)COC3)c(-c2ccncc2)nn1-c1ccccc1 ZINC000571549082 823199417 /nfs/dbraw/zinc/19/94/17/823199417.db2.gz WENWRNOQMKLHEX-UHFFFAOYSA-N 1 0 382.467 4.254 20 0 GIADRO C[C@H](C(=O)N1CCC[C@H](c2nc3ccccc3s2)C1)[C@H]([NH3+])c1ccccc1 ZINC000571554853 823199793 /nfs/dbraw/zinc/19/97/93/823199793.db2.gz KJLINMFXYFPMBQ-KNBMTAEXSA-N 1 0 379.529 4.338 20 0 GIADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]C2CC(c3ccccc3C)C2)s1 ZINC000571558387 823200149 /nfs/dbraw/zinc/20/01/49/823200149.db2.gz LWZHFONJYAJWSX-UHFFFAOYSA-N 1 0 392.590 4.123 20 0 GIADRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1cccs1)c1cccc(OC(F)F)c1 ZINC000176401467 823200202 /nfs/dbraw/zinc/20/02/02/823200202.db2.gz OILQVHOIWCADIE-CQSZACIVSA-N 1 0 397.491 4.184 20 0 GIADRO CCOc1cc(C[NH2+][C@H]2CCO[C@H](CC(C)C)C2)cc(Br)c1O ZINC000459476376 823200343 /nfs/dbraw/zinc/20/03/43/823200343.db2.gz XVYYNUXZDDKQML-LSDHHAIUSA-N 1 0 386.330 4.237 20 0 GIADRO OC[C@@H]1C[N@H+](Cc2cc(Cl)cc(Br)c2)C[C@H]1c1ccsc1 ZINC000459475573 823200527 /nfs/dbraw/zinc/20/05/27/823200527.db2.gz GRFTYSLRWKLPTH-BBRMVZONSA-N 1 0 386.742 4.372 20 0 GIADRO FC(F)COc1ccc(C[N@H+](CCc2ccccn2)Cc2ccncc2)cc1 ZINC000571603271 823206369 /nfs/dbraw/zinc/20/63/69/823206369.db2.gz YHOMPWXLHFPBRW-UHFFFAOYSA-N 1 0 383.442 4.365 20 0 GIADRO COc1ccc2c(c1)[C@@H]([NH2+]CCCNC(=O)c1cccs1)CCCS2 ZINC000188197395 823201936 /nfs/dbraw/zinc/20/19/36/823201936.db2.gz WEAZXSQNEDMXFW-INIZCTEOSA-N 1 0 376.547 4.093 20 0 GIADRO CC(C)[NH+]1CCN(CCCSc2nn(-c3ccccc3)c(=S)s2)CC1 ZINC000188227251 823206537 /nfs/dbraw/zinc/20/65/37/823206537.db2.gz QFCGKVKYOWHSRM-UHFFFAOYSA-N 1 0 394.635 4.171 20 0 GIADRO C[C@H](CCNCc1cn(C2CCCC2)nc1-c1ccccn1)[NH+]1CCCCC1 ZINC000459490562 823203349 /nfs/dbraw/zinc/20/33/49/823203349.db2.gz WPZXLIWFFDOFKR-LJQANCHMSA-N 1 0 381.568 4.414 20 0 GIADRO O=C(N[C@@H](c1cccc(F)c1)c1ccccn1)c1cccc(C[NH+]2CCCC2)c1 ZINC000121546197 823203546 /nfs/dbraw/zinc/20/35/46/823203546.db2.gz QTQYTDWNKODPDJ-QHCPKHFHSA-N 1 0 389.474 4.336 20 0 GIADRO CC[C@]1(C)Oc2ccc(NC(=O)N(CC[NH+](C)C)Cc3ccsc3)cc2O1 ZINC000459502648 823205768 /nfs/dbraw/zinc/20/57/68/823205768.db2.gz KAPWUHVNILARBO-HXUWFJFHSA-N 1 0 389.521 4.241 20 0 GIADRO Fc1ccc([C@H]2C[C@H]([NH2+]Cc3cnc(C4CC4)nc3)C2)cc1Br ZINC000459504668 823206170 /nfs/dbraw/zinc/20/61/70/823206170.db2.gz DDGBHIMGTMSKLP-SHTZXODSSA-N 1 0 376.273 4.291 20 0 GIADRO CC(=O)CCc1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2oc3ccccc3c2C)cc1 ZINC000571601833 823206258 /nfs/dbraw/zinc/20/62/58/823206258.db2.gz DIBKGYCTXXZFHK-AZUAARDMSA-N 1 0 395.499 4.353 20 0 GIADRO Cc1cc(=NC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)[nH]n1C1CCCCC1 ZINC000571605236 823207327 /nfs/dbraw/zinc/20/73/27/823207327.db2.gz BKIVAVVZHWXNQU-NRFANRHFSA-N 1 0 395.551 4.077 20 0 GIADRO C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@H+](C)C[C@@H]1C[C@H]1c1ccccc1 ZINC000459509435 823207407 /nfs/dbraw/zinc/20/74/07/823207407.db2.gz XWZSVEITBIUHNE-XJABCFGWSA-N 1 0 384.545 4.023 20 0 GIADRO C[C@H]1CN(C/C=C\c2ccc(OCc3ccccc3)cc2)CC[N@@H+]1CC(C)(C)O ZINC000459509758 823207723 /nfs/dbraw/zinc/20/77/23/823207723.db2.gz LKZSWRPIVSCBKU-UKSYNSBOSA-N 1 0 394.559 4.056 20 0 GIADRO Oc1cccc(C[NH2+]C[C@@H]2CCCN(c3ccccc3)C2)c1Br ZINC000459511941 823208040 /nfs/dbraw/zinc/20/80/40/823208040.db2.gz YSWUULGEZZASHC-HNNXBMFYSA-N 1 0 375.310 4.161 20 0 GIADRO C[C@H]([NH2+]CCCO[C@@H]1CCOC1)c1ccc(Br)cc1C(F)(F)F ZINC000188243784 823208564 /nfs/dbraw/zinc/20/85/64/823208564.db2.gz UGVVSVWIJZHGFM-WCQYABFASA-N 1 0 396.247 4.314 20 0 GIADRO COc1cccc(CN(C)C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)c1 ZINC000056764430 823209069 /nfs/dbraw/zinc/20/90/69/823209069.db2.gz ZFUMHVHSSNBRSM-UHFFFAOYSA-N 1 0 381.520 4.388 20 0 GIADRO CCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(Br)cc2C(F)(F)F)C1 ZINC000188249896 823209181 /nfs/dbraw/zinc/20/91/81/823209181.db2.gz XHAPPRGTMUNQAB-CMPLNLGQSA-N 1 0 393.247 4.129 20 0 GIADRO Cc1cccc(C)c1NC(=O)[C@@H](C)[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000459519310 823209757 /nfs/dbraw/zinc/20/97/57/823209757.db2.gz JMXBOKQHRQXCJV-LJQANCHMSA-N 1 0 378.516 4.194 20 0 GIADRO C[NH+](C)CCN(Cc1cccs1)C(=O)N[C@H]1CCc2c1cccc2Cl ZINC000176448749 823209876 /nfs/dbraw/zinc/20/98/76/823209876.db2.gz VKPZENHQGAXFCY-SFHVURJKSA-N 1 0 377.941 4.162 20 0 GIADRO C[C@@H](NC(=O)C[NH+]1CCC2(CC1)OCCc1ccccc12)c1ccc(Cl)cc1 ZINC000459519587 823210143 /nfs/dbraw/zinc/21/01/43/823210143.db2.gz YOPYZWRSWRZFRR-QGZVFWFLSA-N 1 0 398.934 4.081 20 0 GIADRO CC1(c2ccccc2)CC([NH2+]Cc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)C1 ZINC000459522572 823210605 /nfs/dbraw/zinc/21/06/05/823210605.db2.gz KDMBVLZODBGYOQ-UHFFFAOYSA-N 1 0 397.462 4.319 20 0 GIADRO COC1(c2nc(CC(F)(F)F)no2)CC[NH+](Cc2ccc(C3CC3)cc2)CC1 ZINC000459522564 823210729 /nfs/dbraw/zinc/21/07/29/823210729.db2.gz KDIXKBIKFXFOPJ-UHFFFAOYSA-N 1 0 395.425 4.190 20 0 GIADRO COc1ccc(OCc2ccccn2)c(C[NH+]2CCC([C@H]3CCCO3)CC2)c1 ZINC000188263309 823210839 /nfs/dbraw/zinc/21/08/39/823210839.db2.gz WJASPEHZCOIRFD-JOCHJYFZSA-N 1 0 382.504 4.060 20 0 GIADRO O=C(N[C@H]1CCSc2ccc(Cl)cc21)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000121582563 823210912 /nfs/dbraw/zinc/21/09/12/823210912.db2.gz RPAJUYNOOBOKRH-RDJZCZTQSA-N 1 0 379.957 4.147 20 0 GIADRO O=C(N[C@@H](c1cccc2ccccc21)C(F)(F)F)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000571623702 823210949 /nfs/dbraw/zinc/21/09/49/823210949.db2.gz JJOBGEYRIPMZED-OLMMMNRUSA-N 1 0 391.437 4.131 20 0 GIADRO O=C(N[C@H](c1cccc2ccccc21)C(F)(F)F)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000571623704 823210968 /nfs/dbraw/zinc/21/09/68/823210968.db2.gz JJOBGEYRIPMZED-YYAJDYIMSA-N 1 0 391.437 4.131 20 0 GIADRO COCCc1ccc(OC[C@H](O)C[N@H+](C)[C@@H](C)c2cc3ccccc3o2)cc1 ZINC000571623512 823211001 /nfs/dbraw/zinc/21/10/01/823211001.db2.gz BKYZZFINPNIGCJ-FXAWDEMLSA-N 1 0 383.488 4.054 20 0 GIADRO C[C@H](c1nc(-c2cccs2)no1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000571630268 823211918 /nfs/dbraw/zinc/21/19/18/823211918.db2.gz KKODJPLXTFSSEW-QRQLOZEOSA-N 1 0 394.544 4.313 20 0 GIADRO COc1ccccc1OCC[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000571643263 823213441 /nfs/dbraw/zinc/21/34/41/823213441.db2.gz FTTFTBZYIKSXHP-UHFFFAOYSA-N 1 0 392.503 4.237 20 0 GIADRO CCOc1cc(C[N@H+](Cc2ccccn2)C(C)C)cc(Br)c1O ZINC000571643261 823213549 /nfs/dbraw/zinc/21/35/49/823213549.db2.gz FHTIQUNIQOIHTQ-UHFFFAOYSA-N 1 0 379.298 4.359 20 0 GIADRO C[C@@H]([NH2+]C(C)(C)CNC(=O)c1c(F)cccc1Br)c1ccccc1 ZINC000176466551 823213729 /nfs/dbraw/zinc/21/37/29/823213729.db2.gz HNCXZVMNVZZPMP-CYBMUJFWSA-N 1 0 393.300 4.447 20 0 GIADRO CC(C)(C)C(=O)N1CCC(C[NH2+][C@@H](c2ccccc2)C2(CO)CCCC2)CC1 ZINC000459534395 823213976 /nfs/dbraw/zinc/21/39/76/823213976.db2.gz FUYCDFIGSBZNOJ-NRFANRHFSA-N 1 0 386.580 4.155 20 0 GIADRO CC[NH+](CC)CCOc1ccc(NC(=O)NCc2coc3ccccc23)cc1 ZINC000571680323 823217985 /nfs/dbraw/zinc/21/79/85/823217985.db2.gz AWUIWIQIADTJQW-UHFFFAOYSA-N 1 0 381.476 4.475 20 0 GIADRO Cc1ccc(C[NH2+]C[C@H]2CCN(c3ccc(F)cc3)C2)c(-c2ccnn2C)c1 ZINC000571659007 823215462 /nfs/dbraw/zinc/21/54/62/823215462.db2.gz AHKFGDYAWDJFKL-GOSISDBHSA-N 1 0 378.495 4.151 20 0 GIADRO O=C(COc1ccccc1C[N@@H+]1CC2(CCC2)[C@@H]1c1ccccc1)N1CCCC1 ZINC000571660990 823215733 /nfs/dbraw/zinc/21/57/33/823215733.db2.gz JBGQUBBUCPWPOM-DEOSSOPVSA-N 1 0 390.527 4.415 20 0 GIADRO C[N@H+](Cc1cnc(-c2ccc(Cl)cc2)s1)C1CCN(c2cnccn2)CC1 ZINC000571664581 823216072 /nfs/dbraw/zinc/21/60/72/823216072.db2.gz XFXQTCBUEXVLIY-UHFFFAOYSA-N 1 0 399.951 4.354 20 0 GIADRO CCOc1cc(C[NH2+]CCC2C[C@H](C)O[C@@H](C)C2)cc(Br)c1O ZINC000459544142 823216508 /nfs/dbraw/zinc/21/65/08/823216508.db2.gz NFKAKFYQZQQQKX-STQMWFEESA-N 1 0 386.330 4.237 20 0 GIADRO CCOc1cc(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)cc(Cl)c1O ZINC000459544787 823216737 /nfs/dbraw/zinc/21/67/37/823216737.db2.gz KENNVGSRGSPTHS-QWFCFKBJSA-N 1 0 387.907 4.449 20 0 GIADRO CCO[C@@H]1C[C@@H]([NH2+]C2CCN(c3nccs3)CC2)[C@H]1Sc1ccccc1 ZINC000459545080 823216949 /nfs/dbraw/zinc/21/69/49/823216949.db2.gz RYPNAFNKCYIWAH-GUDVDZBRSA-N 1 0 389.590 4.040 20 0 GIADRO CCOCC[C@H](O)C[NH2+][C@@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC000571671140 823217027 /nfs/dbraw/zinc/21/70/27/823217027.db2.gz SYDZRTIVCOGJEZ-RBUKOAKNSA-N 1 0 396.300 4.055 20 0 GIADRO Oc1cccc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)c1Br ZINC000459545473 823217056 /nfs/dbraw/zinc/21/70/56/823217056.db2.gz LRNZCSSBBSCXTA-SQNIBIBYSA-N 1 0 388.305 4.159 20 0 GIADRO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1C/C=C\c1ccc(OCc2ccccc2)cc1 ZINC000459546015 823217351 /nfs/dbraw/zinc/21/73/51/823217351.db2.gz MBWRGUDHSYJBSP-QAUSVWTNSA-N 1 0 392.543 4.074 20 0 GIADRO COc1ccc(-c2ccccc2C)cc1C[NH2+][C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000459560823 823220436 /nfs/dbraw/zinc/22/04/36/823220436.db2.gz QQHFHFFWBOKWBY-IFMALSPDSA-N 1 0 387.545 4.116 20 0 GIADRO CCOc1cc(C[N@H+](C)C2CCN(CCC(F)(F)F)CC2)cc(Cl)c1O ZINC000459561574 823220527 /nfs/dbraw/zinc/22/05/27/823220527.db2.gz MQWDBRQSCBIZGX-UHFFFAOYSA-N 1 0 394.865 4.293 20 0 GIADRO C[C@@]1(c2ccccc2)CC[C@H](Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)C1 ZINC000188331343 823220628 /nfs/dbraw/zinc/22/06/28/823220628.db2.gz BPERCSILPAUCKZ-UKILVPOCSA-N 1 0 391.559 4.306 20 0 GIADRO CCO[C@H](C)c1nc(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cs1 ZINC000409446611 823220802 /nfs/dbraw/zinc/22/08/02/823220802.db2.gz IJVURDMVCRPVIN-RLLQIKCJSA-N 1 0 385.577 4.195 20 0 GIADRO CC(C)[NH+]1CCC(NC(=O)NC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000056838017 823220931 /nfs/dbraw/zinc/22/09/31/823220931.db2.gz QFWGTMDPUZENPI-UHFFFAOYSA-N 1 0 387.474 4.226 20 0 GIADRO Cc1cnc([C@H](C)NC(=O)NCc2ccccc2C[NH+]2CCCCCC2)s1 ZINC000176495829 823221186 /nfs/dbraw/zinc/22/11/86/823221186.db2.gz CFWKHYPKSOGVNJ-KRWDZBQOSA-N 1 0 386.565 4.388 20 0 GIADRO COc1cccc([C@@H]2CCCN2C(=O)NC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000176496981 823221366 /nfs/dbraw/zinc/22/13/66/823221366.db2.gz HWWCVRSRBNQJBS-QFIPXVFZSA-N 1 0 385.552 4.339 20 0 GIADRO COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H](C)c2ccc(Cl)cc2)c(OC)c1 ZINC000121643446 823221361 /nfs/dbraw/zinc/22/13/61/823221361.db2.gz FAZWRZHZAGVORY-ZIAGYGMSSA-N 1 0 376.884 4.425 20 0 GIADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2CCSc3ccc(F)cc32)o1 ZINC000056815358 823218562 /nfs/dbraw/zinc/21/85/62/823218562.db2.gz UGLOWDPSHIMOFY-GOSISDBHSA-N 1 0 391.512 4.037 20 0 GIADRO CCCCn1ncc(C(=O)NC[C@@H](c2ccc(SC)cc2)[NH+](C)C)c1CC ZINC000571716089 823223651 /nfs/dbraw/zinc/22/36/51/823223651.db2.gz WASNBDQPBYGUDY-FQEVSTJZSA-N 1 0 388.581 4.000 20 0 GIADRO COc1ccc([C@@H](C)CC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000176506080 823223914 /nfs/dbraw/zinc/22/39/14/823223914.db2.gz RTQLGIFWTWLNOG-IBGZPJMESA-N 1 0 380.532 4.312 20 0 GIADRO COc1cc(-c2noc(-c3scc(C)c3Cl)n2)ccc1OCC[NH+](C)C ZINC000571718413 823224004 /nfs/dbraw/zinc/22/40/04/823224004.db2.gz OFJAOOUUVIPSLY-UHFFFAOYSA-N 1 0 393.896 4.376 20 0 GIADRO O[C@H](C[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1)COc1ccc2ccccc2c1 ZINC000571737034 823228070 /nfs/dbraw/zinc/22/80/70/823228070.db2.gz PLCVBOYWJKKTHS-MZYLBHOOSA-N 1 0 397.902 4.353 20 0 GIADRO Cc1ccc(Nc2ccccc2C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000571723582 823225274 /nfs/dbraw/zinc/22/52/74/823225274.db2.gz LUGORXDPAAEWBW-UEVCKROQSA-N 1 0 393.531 4.062 20 0 GIADRO C[C@@H](C(=O)N1CCc2ccccc21)[NH+]1CCC(c2noc3cc(F)ccc32)CC1 ZINC000571724990 823225602 /nfs/dbraw/zinc/22/56/02/823225602.db2.gz KJFNDXGTJREIFV-HNNXBMFYSA-N 1 0 393.462 4.124 20 0 GIADRO OCCC1C[NH+](Cc2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)C1 ZINC000459587870 823225788 /nfs/dbraw/zinc/22/57/88/823225788.db2.gz GQTXMZMIEGHSTM-UHFFFAOYSA-N 1 0 381.907 4.066 20 0 GIADRO COc1ccc(-c2csc(CNC(=O)N(C)[C@H]3CC[N@H+](C)[C@@H](C)C3)c2)cc1 ZINC000176517691 823227088 /nfs/dbraw/zinc/22/70/88/823227088.db2.gz XMKMTSNZQDNGBC-YJBOKZPZSA-N 1 0 387.549 4.048 20 0 GIADRO CC(C)[C@@H](NC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)c1nc2ccccc2[nH]1 ZINC000056936668 823232944 /nfs/dbraw/zinc/23/29/44/823232944.db2.gz ORMPQEWFCPTEFM-WOJBJXKFSA-N 1 0 397.498 4.001 20 0 GIADRO Cc1nnc([C@H](C)[NH2+][C@@H]2CCN(C(C)(C)C)[C@@H]2c2ccc(Cl)c(F)c2)[nH]1 ZINC000571764133 823231708 /nfs/dbraw/zinc/23/17/08/823231708.db2.gz FJWPOPQBQSNOIA-YMRXKLBXSA-N 1 0 379.911 4.170 20 0 GIADRO Fc1ccc(-c2nn(-c3ccccc3)cc2C[NH+]2CC3(C2)CCOCC3)cc1 ZINC000459627778 823232045 /nfs/dbraw/zinc/23/20/45/823232045.db2.gz XGVVVFKEPMJINQ-UHFFFAOYSA-N 1 0 377.463 4.291 20 0 GIADRO Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cc1 ZINC000571770174 823232478 /nfs/dbraw/zinc/23/24/78/823232478.db2.gz RHGSVOAUTLCJME-SIKLNZKXSA-N 1 0 378.495 4.007 20 0 GIADRO C[C@H](CCCc1cccnc1)[NH2+][C@H](C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000459630506 823232654 /nfs/dbraw/zinc/23/26/54/823232654.db2.gz ANJASCCHYVVQBT-HUUCEWRRSA-N 1 0 377.435 4.011 20 0 GIADRO C[C@@H](CCCc1cccnc1)[NH2+][C@@H](C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000459630505 823232689 /nfs/dbraw/zinc/23/26/89/823232689.db2.gz ANJASCCHYVVQBT-GJZGRUSLSA-N 1 0 377.435 4.011 20 0 GIADRO C[C@H](OC[C@@H](O)C[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F)c1ccc(Cl)cc1 ZINC000124630181 823612566 /nfs/dbraw/zinc/61/25/66/823612566.db2.gz GCWKCLAEOIMUMY-OSMBCOQSSA-N 1 0 379.850 4.489 20 0 GIADRO C[C@H](CCCc1cccnc1)[NH2+][C@@H](C)C(=O)Nc1ccccc1Br ZINC000459633197 823233495 /nfs/dbraw/zinc/23/34/95/823233495.db2.gz DPAAGBSMHQRBBZ-CABCVRRESA-N 1 0 390.325 4.172 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)c1 ZINC000121701261 823233486 /nfs/dbraw/zinc/23/34/86/823233486.db2.gz FHUIJSAAEHPHSK-AQPJMAJASA-N 1 0 377.488 4.128 20 0 GIADRO OCC[C@@H]1CCC[C@H]1[NH2+][C@H](c1ccc(Br)o1)c1ccc(F)cc1 ZINC000571782990 823233679 /nfs/dbraw/zinc/23/36/79/823233679.db2.gz KFINIPFRNJMRAT-PNPHSEOMSA-N 1 0 382.273 4.411 20 0 GIADRO O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)[C@@H]1CCC(=O)c2ccccc21 ZINC000571781982 823233706 /nfs/dbraw/zinc/23/37/06/823233706.db2.gz MWTLIHQMIZEJEI-JOCHJYFZSA-N 1 0 392.499 4.250 20 0 GIADRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)c1scnc1C(C)(C)C)c1ccccc1O2 ZINC000176546595 823234105 /nfs/dbraw/zinc/23/41/05/823234105.db2.gz FANRJARAWBEPHY-INIZCTEOSA-N 1 0 399.560 4.159 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)N[C@@H](c1ccco1)c1ccccc1)c1ccc(F)cc1 ZINC000056950225 823234494 /nfs/dbraw/zinc/23/44/94/823234494.db2.gz QRYXWAGHPQQKJD-PZJWPPBQSA-N 1 0 381.451 4.110 20 0 GIADRO C[C@H](CCCc1cccnc1)[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000459634936 823234557 /nfs/dbraw/zinc/23/45/57/823234557.db2.gz FXCMBMORYXUTCL-PBHICJAKSA-N 1 0 383.319 4.129 20 0 GIADRO C[C@@H](CCCc1cccnc1)[NH2+]Cc1nc2ccc(Br)cc2n1C ZINC000459635484 823234574 /nfs/dbraw/zinc/23/45/74/823234574.db2.gz IZIIIFGIULJMHS-AWEZNQCLSA-N 1 0 387.325 4.232 20 0 GIADRO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[NH2+][C@@H](C)CCCc1cccnc1 ZINC000459635715 823234586 /nfs/dbraw/zinc/23/45/86/823234586.db2.gz GPPRPQYDTTZQNG-HOTGVXAUSA-N 1 0 389.927 4.380 20 0 GIADRO COCCC1(C)C[NH+](Cc2cnc(-c3ccc(Br)cc3)s2)C1 ZINC000459640012 823235445 /nfs/dbraw/zinc/23/54/45/823235445.db2.gz WRHABCCZFWUEMI-UHFFFAOYSA-N 1 0 381.339 4.431 20 0 GIADRO O=C(c1ccc(Cl)cc1)c1ccccc1C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000571796047 823235528 /nfs/dbraw/zinc/23/55/28/823235528.db2.gz CGMQQFLKZFNMCT-GOSISDBHSA-N 1 0 396.918 4.033 20 0 GIADRO C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[NH2+][C@@H](C)CCCc1cccnc1 ZINC000459641563 823235961 /nfs/dbraw/zinc/23/59/61/823235961.db2.gz RFGIPBZMXFPFGJ-ZWKOTPCHSA-N 1 0 379.504 4.348 20 0 GIADRO C[C@H](CCCc1cccnc1)[NH2+]CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000459641299 823236042 /nfs/dbraw/zinc/23/60/42/823236042.db2.gz MEHGXCBXVLDEIQ-QGZVFWFLSA-N 1 0 395.503 4.063 20 0 GIADRO COC(=O)c1cccc(-c2nc(C[NH2+][C@@H](C)CCCc3cccnc3)cs2)c1 ZINC000459642822 823236411 /nfs/dbraw/zinc/23/64/11/823236411.db2.gz NULMFGXWYXAJCP-INIZCTEOSA-N 1 0 395.528 4.493 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@@H](C)c1nc2c(s1)CCC2 ZINC000459644606 823236645 /nfs/dbraw/zinc/23/66/45/823236645.db2.gz FHMPZKMIIUZAIW-NEPJUHHUSA-N 1 0 393.940 4.362 20 0 GIADRO CC[NH+](CC)[C@@H](C(=O)NCC(C)(C)C[C@H](C)O)c1cccc(C(F)(F)F)c1 ZINC000121727268 823237936 /nfs/dbraw/zinc/23/79/36/823237936.db2.gz OZSOATDAVPZQDB-WMLDXEAASA-N 1 0 388.474 4.002 20 0 GIADRO C[NH+](C)CCC1CCN(C(=O)CSCc2ccc(Cl)cc2Cl)CC1 ZINC000056986134 823237948 /nfs/dbraw/zinc/23/79/48/823237948.db2.gz KITCWNURJYQXEW-UHFFFAOYSA-N 1 0 389.392 4.417 20 0 GIADRO Cc1nc(CC2CC2)sc1C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000188421969 823238693 /nfs/dbraw/zinc/23/86/93/823238693.db2.gz DBVJWCZKJVYFFR-UHFFFAOYSA-N 1 0 375.582 4.177 20 0 GIADRO Cn1cc(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c(-c2cccs2)n1 ZINC000459650609 823239300 /nfs/dbraw/zinc/23/93/00/823239300.db2.gz NQQZIUYFMBOSPG-INIZCTEOSA-N 1 0 399.482 4.330 20 0 GIADRO CC(C)n1cnc(C(=O)N(CCC[NH+](C)C)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000409520705 823240078 /nfs/dbraw/zinc/24/00/78/823240078.db2.gz KPZLSQLJYQKHNZ-UHFFFAOYSA-N 1 0 397.350 4.365 20 0 GIADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000057041685 823242597 /nfs/dbraw/zinc/24/25/97/823242597.db2.gz IRXJGUVBLYHAJO-OAHLLOKOSA-N 1 0 396.457 4.131 20 0 GIADRO COC(=O)c1oc([C@@H](C)[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)cc1C ZINC000459653859 823240355 /nfs/dbraw/zinc/24/03/55/823240355.db2.gz DQHSTVQKDZIESB-HIFRSBDPSA-N 1 0 389.414 4.117 20 0 GIADRO Cc1ccc(C[N@@H+]2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)s1 ZINC000121745798 823241582 /nfs/dbraw/zinc/24/15/82/823241582.db2.gz CJSZALOJAGDBIB-CYBMUJFWSA-N 1 0 380.439 4.498 20 0 GIADRO FC(F)(F)[C@@H]1CC[N@H+](Cc2cccc3c2OCCCO3)CC12CCOCC2 ZINC000459656947 823241695 /nfs/dbraw/zinc/24/16/95/823241695.db2.gz WLVVYGUYRRTKHG-QGZVFWFLSA-N 1 0 385.426 4.029 20 0 GIADRO CCc1ccc(C[N@@H+]2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)o1 ZINC000121746710 823241935 /nfs/dbraw/zinc/24/19/35/823241935.db2.gz WTWFZMQKANQEMI-ZDUSSCGKSA-N 1 0 378.398 4.283 20 0 GIADRO C[NH+](C)Cc1ccccc1NC(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000057043301 823242805 /nfs/dbraw/zinc/24/28/05/823242805.db2.gz BEBJQGLBHCOSDV-UHFFFAOYSA-N 1 0 388.393 4.205 20 0 GIADRO C[NH+](C)[C@H](CN[C@@H](c1ncc[nH]1)c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000188480182 823247510 /nfs/dbraw/zinc/24/75/10/823247510.db2.gz JPQGEZMVDMDEGS-RTBURBONSA-N 1 0 388.437 4.410 20 0 GIADRO FC(F)Oc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)cc1 ZINC000459664089 823245058 /nfs/dbraw/zinc/24/50/58/823245058.db2.gz PMBOXQMHYXEBTM-HNNXBMFYSA-N 1 0 379.369 4.469 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)NCCCc2cccc(F)c2)[C@@H]1c1cccs1 ZINC000176602016 823245818 /nfs/dbraw/zinc/24/58/18/823245818.db2.gz FMGFOOHJVSKXES-FXAWDEMLSA-N 1 0 389.540 4.202 20 0 GIADRO C[C@H](NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)c1ccc(-c2cccnc2)cc1 ZINC000176603427 823246077 /nfs/dbraw/zinc/24/60/77/823246077.db2.gz SMKVUQUKRCCQIA-CVDCTZTESA-N 1 0 392.547 4.470 20 0 GIADRO C[C@H](NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccc(-c2cccnc2)cc1 ZINC000176605425 823246718 /nfs/dbraw/zinc/24/67/18/823246718.db2.gz HEOJHLQRAVJQIP-WMZHIEFXSA-N 1 0 392.547 4.470 20 0 GIADRO CC[NH+]1CCC(N2CCC[N@H+](Cc3cnc(C4CCCCC4)s3)CC2)CC1 ZINC000571871566 823248099 /nfs/dbraw/zinc/24/80/99/823248099.db2.gz AKYWVXMDGUCBBP-UHFFFAOYSA-N 1 0 390.641 4.183 20 0 GIADRO CO[C@H](C)c1nc(C)c(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)s1 ZINC000176610789 823248250 /nfs/dbraw/zinc/24/82/50/823248250.db2.gz QCSORUXVAJOMFX-BPIHKTFHSA-N 1 0 399.560 4.084 20 0 GIADRO CCCCOc1cc(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)ccc1OC ZINC000121776495 823248319 /nfs/dbraw/zinc/24/83/19/823248319.db2.gz DSWFKIJOYPBVNT-LJQANCHMSA-N 1 0 394.519 4.296 20 0 GIADRO CC(C)Oc1ccc([C@H](CNC(=O)CC2CC(OC(C)(C)C)C2)[NH+](C)C)cc1 ZINC000571907194 823252375 /nfs/dbraw/zinc/25/23/75/823252375.db2.gz JJWLLJHXAVUCDQ-JITJBCMDSA-N 1 0 390.568 4.177 20 0 GIADRO Cc1ccc([C@H]2CCCCN2C(=O)NC2CC[NH+](CCOC(C)C)CC2)cc1 ZINC000176611362 823248584 /nfs/dbraw/zinc/24/85/84/823248584.db2.gz GRIIVZPZANEMFH-JOCHJYFZSA-N 1 0 387.568 4.121 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(c2nnc(-c3ccc[nH]3)n2C2CC2)CC1 ZINC000571889214 823249944 /nfs/dbraw/zinc/24/99/44/823249944.db2.gz HQXLNLHELKKHDM-QGZVFWFLSA-N 1 0 382.556 4.089 20 0 GIADRO FC(F)(F)Oc1cccc(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)c1 ZINC000121787006 823251410 /nfs/dbraw/zinc/25/14/10/823251410.db2.gz QUYYJRNLEIIXAH-HNNXBMFYSA-N 1 0 376.382 4.008 20 0 GIADRO Cc1csc(N2CCC([NH2+][C@@H](C)c3ccc(NC(=O)C4CC4)cc3)CC2)n1 ZINC000121803703 823254648 /nfs/dbraw/zinc/25/46/48/823254648.db2.gz JNPFYQXJRRCMLX-HNNXBMFYSA-N 1 0 384.549 4.120 20 0 GIADRO OC[C@@H](C[NH2+]C1CCC(C(F)F)CC1)Cc1cc(F)cc(Br)c1 ZINC000459708267 823254765 /nfs/dbraw/zinc/25/47/65/823254765.db2.gz SLFUKKDOAQUKFY-VEAWUBTESA-N 1 0 394.275 4.153 20 0 GIADRO CC(=O)N1CC[C@H]([NH2+]CCCCCOc2ccccc2)c2ccc(F)cc2C1 ZINC000188516644 823254774 /nfs/dbraw/zinc/25/47/74/823254774.db2.gz KPAZWQQCRUEFKI-QHCPKHFHSA-N 1 0 384.495 4.458 20 0 GIADRO CC[C@H]1c2ccsc2CCN1C(=O)C[N@@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000571929679 823256064 /nfs/dbraw/zinc/25/60/64/823256064.db2.gz MGRSXAQLHRCVIC-CVDCTZTESA-N 1 0 396.556 4.054 20 0 GIADRO CC(C)[C@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)Nc1ccccc1 ZINC000057154191 823256151 /nfs/dbraw/zinc/25/61/51/823256151.db2.gz SQNALJOBZGPFRM-QHCPKHFHSA-N 1 0 379.548 4.152 20 0 GIADRO O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC(c2ccc(O)cc2)CC1 ZINC000057153486 823256216 /nfs/dbraw/zinc/25/62/16/823256216.db2.gz RIMVKKDCONIBNX-JOCHJYFZSA-N 1 0 378.516 4.010 20 0 GIADRO C[C@H]([NH2+]C1CCN(CCc2ccccc2)CC1)c1ccc(NC(=O)C2CC2)cc1 ZINC000121813511 823256616 /nfs/dbraw/zinc/25/66/16/823256616.db2.gz YCCATQOXPALKRF-IBGZPJMESA-N 1 0 391.559 4.393 20 0 GIADRO Fc1cccc(C[N@@H+]2CCC[C@@H](c3nc([C@H]4COc5ccccc5O4)no3)C2)c1 ZINC000571935359 823256699 /nfs/dbraw/zinc/25/66/99/823256699.db2.gz KRXSRVZVRYVMQH-OXQOHEQNSA-N 1 0 395.434 4.101 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1sccc1-c1ccccc1 ZINC000057166632 823257590 /nfs/dbraw/zinc/25/75/90/823257590.db2.gz WIGUCWXQCHNJQO-UHFFFAOYSA-N 1 0 377.513 4.205 20 0 GIADRO CC(C)C(=O)Nc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000057169083 823258452 /nfs/dbraw/zinc/25/84/52/823258452.db2.gz OKFLXIRFDXZQAD-LJQANCHMSA-N 1 0 379.504 4.132 20 0 GIADRO CN(c1ccccc1)C1CCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000057175444 823259277 /nfs/dbraw/zinc/25/92/77/823259277.db2.gz DWBCGZZFIXVTHD-UHFFFAOYSA-N 1 0 391.559 4.026 20 0 GIADRO CC[NH+](CC)CC[C@H](CO)Nc1ncnc2scc(-c3ccc(F)cc3)c21 ZINC000571952050 823259394 /nfs/dbraw/zinc/25/93/94/823259394.db2.gz DHWRZIXNIVMAAG-MRXNPFEDSA-N 1 0 388.512 4.002 20 0 GIADRO O=C(Nc1ccc(OC(F)F)c(F)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000057175808 823259698 /nfs/dbraw/zinc/25/96/98/823259698.db2.gz ZWQDFXIPFFWOMP-UHFFFAOYSA-N 1 0 378.394 4.278 20 0 GIADRO OC[C@@H](C[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)c1cccnc1 ZINC000571954931 823259683 /nfs/dbraw/zinc/25/96/83/823259683.db2.gz RIZWZLZFSPDKRO-MRXNPFEDSA-N 1 0 376.378 4.226 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)Cc3cnc4ccccc4c3)C2)s1 ZINC000571954059 823259744 /nfs/dbraw/zinc/25/97/44/823259744.db2.gz WJYOSAAYIVKWBB-SFHVURJKSA-N 1 0 393.556 4.128 20 0 GIADRO C[NH+](C)[C@H]1CCOc2c(NC(=O)CCc3nc4ccccc4s3)cccc21 ZINC000571970305 823263122 /nfs/dbraw/zinc/26/31/22/823263122.db2.gz HEEXPCJATFGYKP-KRWDZBQOSA-N 1 0 381.501 4.253 20 0 GIADRO O=C(NC[C@H](Cc1ccccc1)c1ccccc1)N1CCC([NH+]2CCCC2)CC1 ZINC000176660113 823259924 /nfs/dbraw/zinc/25/99/24/823259924.db2.gz JOVNHLNKBGYODW-QHCPKHFHSA-N 1 0 391.559 4.283 20 0 GIADRO O=C(NC[C@@H](Cc1ccccc1)c1ccccc1)N1CCC([NH+]2CCCC2)CC1 ZINC000176660133 823260052 /nfs/dbraw/zinc/26/00/52/823260052.db2.gz JOVNHLNKBGYODW-HSZRJFAPSA-N 1 0 391.559 4.283 20 0 GIADRO C[N@H+](CCCNC(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1)C1CCCCC1 ZINC000571959722 823260544 /nfs/dbraw/zinc/26/05/44/823260544.db2.gz JAICCWKWKIGLRS-IBGZPJMESA-N 1 0 375.532 4.054 20 0 GIADRO COc1ccc([C@@H](CO)C[NH2+]C2CC(c3ccc(Br)cc3)C2)cc1 ZINC000459759693 823261589 /nfs/dbraw/zinc/26/15/89/823261589.db2.gz TWWUQAVAOUXLKJ-TVRKMHQQSA-N 1 0 390.321 4.069 20 0 GIADRO C[C@H](C[NH2+][C@@H]1CCO[C@H]1c1cncc(Br)c1)Cc1ccccc1 ZINC000459763086 823261885 /nfs/dbraw/zinc/26/18/85/823261885.db2.gz MINYKWZISFVMSG-KYNGSXCRSA-N 1 0 375.310 4.143 20 0 GIADRO COc1ccc(C[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)cc1OCc1cccnc1 ZINC000459765617 823262232 /nfs/dbraw/zinc/26/22/32/823262232.db2.gz NYZCMAYMEZOVGL-FCHUYYIVSA-N 1 0 396.531 4.042 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)C(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000459765079 823262274 /nfs/dbraw/zinc/26/22/74/823262274.db2.gz DCAZDTZGBRGPEX-MFHCWRBVSA-N 1 0 381.545 4.479 20 0 GIADRO Cc1ccccc1C[C@@H](C)[NH2+][C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000459769444 823262352 /nfs/dbraw/zinc/26/23/52/823262352.db2.gz RGHJOHHTUJWQFR-ZMYBRWDISA-N 1 0 375.310 4.203 20 0 GIADRO CO[C@@H]1C[C@H]([NH2+][C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C12CCC2 ZINC000459770549 823262409 /nfs/dbraw/zinc/26/24/09/823262409.db2.gz RKQHNHLLQCJJMR-NZVBXONLSA-N 1 0 390.833 4.233 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@@H]1CCCC(F)(F)C1 ZINC000409619775 823263445 /nfs/dbraw/zinc/26/34/45/823263445.db2.gz GTAPYJGFJUZBPT-QRQLOZEOSA-N 1 0 379.495 4.022 20 0 GIADRO OCC1([NH2+]Cc2ccc(-c3ccc(Br)cc3)o2)CCSCC1 ZINC000459732192 823258227 /nfs/dbraw/zinc/25/82/27/823258227.db2.gz RIAOGGIVCVUBSO-UHFFFAOYSA-N 1 0 382.323 4.057 20 0 GIADRO C[C@H]([NH2+]C1(CNC(=O)C/C=C/c2cccc(F)c2)CCOCC1)c1ccccc1 ZINC000176689516 823268790 /nfs/dbraw/zinc/26/87/90/823268790.db2.gz CHUHYAKRDYYSQA-FNQPIQQGSA-N 1 0 396.506 4.245 20 0 GIADRO COc1ccc(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)cc1-c1ccccn1 ZINC000121856741 823264267 /nfs/dbraw/zinc/26/42/67/823264267.db2.gz TZKBGKSWBCJJIS-SFHVURJKSA-N 1 0 381.520 4.142 20 0 GIADRO Cc1ccccc1[C@@]1(F)CCN(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000409623188 823264294 /nfs/dbraw/zinc/26/42/94/823264294.db2.gz GZCNGRBJGKDOTO-XUZZJYLKSA-N 1 0 395.522 4.097 20 0 GIADRO Cc1ccccc1[C@@]1(F)CCN(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000409623189 823264388 /nfs/dbraw/zinc/26/43/88/823264388.db2.gz GZCNGRBJGKDOTO-ZJSXRUAMSA-N 1 0 395.522 4.097 20 0 GIADRO CC[NH2+]Cc1cccc(NC(=O)N[C@@H]2c3ccccc3CC23CCOCC3)c1 ZINC000572010914 823268876 /nfs/dbraw/zinc/26/88/76/823268876.db2.gz WDPIRZYYCYWSGW-OAQYLSRUSA-N 1 0 379.504 4.012 20 0 GIADRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)N(C)CCc1cccs1 ZINC000121861018 823264961 /nfs/dbraw/zinc/26/49/61/823264961.db2.gz LWAFVLNVSXWEDK-ROUUACIJSA-N 1 0 385.577 4.089 20 0 GIADRO CCn1c2ccccc2c2cc([C@H]3NC(=[NH2+])Nc4nc5ccccc5n43)ccc21 ZINC000004005223 817496471 /nfs/dbraw/zinc/49/64/71/817496471.db2.gz AWIDHKDTBUAXSO-NRFANRHFSA-N 1 0 380.455 4.451 20 0 GIADRO Cc1oc(NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nc1C1CC1 ZINC000571994589 823267196 /nfs/dbraw/zinc/26/71/96/823267196.db2.gz HKWKWUHZYCWNNX-HNAYVOBHSA-N 1 0 382.508 4.377 20 0 GIADRO CCc1sc(-c2nnc(C[N@@H+]3CC4(CCC4)[C@H]3C3CCOCC3)o2)cc1C ZINC000571995420 823267271 /nfs/dbraw/zinc/26/72/71/823267271.db2.gz NVVQDRLNNYQHFK-LJQANCHMSA-N 1 0 387.549 4.450 20 0 GIADRO C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc(NC(=O)Nc2cccc3c2CCCC3)c1 ZINC000572001364 823267939 /nfs/dbraw/zinc/26/79/39/823267939.db2.gz QDVBJVJOXJMYJI-HNAYVOBHSA-N 1 0 392.503 4.146 20 0 GIADRO CC(C)c1cccc2c1OCCC[C@H]2[NH2+]Cc1cccnc1N1CCOCC1 ZINC000121876674 823268350 /nfs/dbraw/zinc/26/83/50/823268350.db2.gz UJPSCEYOEMWKPW-OAQYLSRUSA-N 1 0 381.520 4.045 20 0 GIADRO CC(C)c1ccc(N(C)C(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)cc1 ZINC000121876527 823268434 /nfs/dbraw/zinc/26/84/34/823268434.db2.gz GKRHKYZBCZWESK-UHFFFAOYSA-N 1 0 380.532 4.291 20 0 GIADRO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)Cc2coc3ccccc23)CC1 ZINC000572024634 823270805 /nfs/dbraw/zinc/27/08/05/823270805.db2.gz RTKAAKBXGLDTPW-UHFFFAOYSA-N 1 0 383.879 4.019 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1scnc1C(F)(F)F ZINC000459905690 823270946 /nfs/dbraw/zinc/27/09/46/823270946.db2.gz BQMSIMIRPOTNIY-UHFFFAOYSA-N 1 0 383.439 4.078 20 0 GIADRO Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)c(C)c1 ZINC000188603607 823271120 /nfs/dbraw/zinc/27/11/20/823271120.db2.gz BXDOYISEKZGURT-TXPKVOOTSA-N 1 0 386.458 4.094 20 0 GIADRO C[C@@H](C(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1)c1ccc(Br)cc1 ZINC000572032972 823271802 /nfs/dbraw/zinc/27/18/02/823271802.db2.gz JRFDTEVCFBVXSM-FZKQIMNGSA-N 1 0 393.300 4.111 20 0 GIADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2cc3ccccc3o2)CC1 ZINC000005172745 817557453 /nfs/dbraw/zinc/55/74/53/817557453.db2.gz PWKOZGHITISGQN-UHFFFAOYSA-N 1 0 383.879 4.480 20 0 GIADRO COCCOC1CCC(c2nc(-c3ccccc3C[NH+]3CCCCC3)no2)CC1 ZINC000572041848 823273045 /nfs/dbraw/zinc/27/30/45/823273045.db2.gz DHQHVEMPSDGWNP-UHFFFAOYSA-N 1 0 399.535 4.412 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)N3CCC4(CCCC4)CC3)CC2)cc1 ZINC000572047456 823274019 /nfs/dbraw/zinc/27/40/19/823274019.db2.gz ICLPXTQQGIGYGD-UHFFFAOYSA-N 1 0 399.579 4.273 20 0 GIADRO O=C(c1cnc2c(F)ccc(F)c2c1)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000460024142 823280344 /nfs/dbraw/zinc/28/03/44/823280344.db2.gz MFCABOOHQQWGKJ-MRXNPFEDSA-N 1 0 379.410 4.138 20 0 GIADRO O=C(c1csc(-c2ccc(Cl)cc2Cl)n1)N1CC[NH+]2CCC1CC2 ZINC000188640882 823278735 /nfs/dbraw/zinc/27/87/35/823278735.db2.gz UAVWMTXXTCNOQF-UHFFFAOYSA-N 1 0 382.316 4.037 20 0 GIADRO Cc1noc(C)c1CN(C)C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000057286130 823275963 /nfs/dbraw/zinc/27/59/63/823275963.db2.gz QVWIFDSFGONTGA-UHFFFAOYSA-N 1 0 398.551 4.398 20 0 GIADRO O[C@]1(C[NH2+][C@H](c2ccccc2)c2ccc(F)cn2)CCC[C@H](C(F)(F)F)C1 ZINC000188627688 823276013 /nfs/dbraw/zinc/27/60/13/823276013.db2.gz OECGWEOVDHKDAX-KFKAGJAMSA-N 1 0 382.401 4.383 20 0 GIADRO O=C(C[NH+]1CCCCCC1)Nc1ccc(NC(=O)[C@H]2CCCC(F)(F)C2)cc1 ZINC000572059920 823276044 /nfs/dbraw/zinc/27/60/44/823276044.db2.gz SCBFSPMILBTFCR-INIZCTEOSA-N 1 0 393.478 4.265 20 0 GIADRO CC(C)[C@H](NC(=O)N(C)CCC[N@H+](C)Cc1ccco1)c1nc2ccccc2[nH]1 ZINC000572068625 823277335 /nfs/dbraw/zinc/27/73/35/823277335.db2.gz IHQYMACJEJPWJH-FQEVSTJZSA-N 1 0 397.523 4.017 20 0 GIADRO CC(C)c1ncc(Cl)c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000176723603 823277639 /nfs/dbraw/zinc/27/76/39/823277639.db2.gz IZDOBELXAPCZAL-RDJZCZTQSA-N 1 0 386.927 4.036 20 0 GIADRO COc1cccc2c1CC[C@H]2[NH2+][C@H](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000121938605 823280680 /nfs/dbraw/zinc/28/06/80/823280680.db2.gz WQLJIOPYWHSYHL-CXAGYDPISA-N 1 0 388.895 4.351 20 0 GIADRO O=C(c1csc(-c2ccc(Cl)c(Cl)c2)n1)N1CC[NH+]2CCC1CC2 ZINC000188655349 823281208 /nfs/dbraw/zinc/28/12/08/823281208.db2.gz CMOZVLFFEANJAI-UHFFFAOYSA-N 1 0 382.316 4.037 20 0 GIADRO O=C(c1ccc2noc(-c3ccc(F)cc3)c2c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000121948395 823283058 /nfs/dbraw/zinc/28/30/58/823283058.db2.gz QBVPDPYLCLKLMI-LJQANCHMSA-N 1 0 393.462 4.334 20 0 GIADRO CC[NH+]1CCC(N(C(=O)c2sc3cccc(F)c3c2COC)C2CC2)CC1 ZINC000057371336 823283860 /nfs/dbraw/zinc/28/38/60/823283860.db2.gz FWHUGQMHRKDUAO-UHFFFAOYSA-N 1 0 390.524 4.276 20 0 GIADRO CC(C)c1cccc2c1OCCC[C@H]2[NH2+]Cc1cccc(OCC(=O)N(C)C)c1 ZINC000121959180 823284962 /nfs/dbraw/zinc/28/49/62/823284962.db2.gz LDUKIVRIDYBIMY-JOCHJYFZSA-N 1 0 396.531 4.281 20 0 GIADRO Cc1cc(C)c(C(=O)CCCC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)c(C)c1 ZINC000572122653 823286331 /nfs/dbraw/zinc/28/63/31/823286331.db2.gz NZPWSPWSIXHKCY-UHFFFAOYSA-N 1 0 382.479 4.388 20 0 GIADRO CC[C@H](NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)c1cccs1 ZINC000460111660 823286697 /nfs/dbraw/zinc/28/66/97/823286697.db2.gz SAUFDPKJIJZDHD-UFYCRDLUSA-N 1 0 383.561 4.363 20 0 GIADRO Cc1cc(C)cc(NC(=O)NCCCC[NH+]2CCN(Cc3ccccc3)CC2)c1 ZINC000409704443 823286707 /nfs/dbraw/zinc/28/67/07/823286707.db2.gz DZIRHNJPDXXTLH-UHFFFAOYSA-N 1 0 394.563 4.023 20 0 GIADRO CC(C)(C)c1cc([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc(C(C)(C)C)c1O ZINC000007126704 817767500 /nfs/dbraw/zinc/76/75/00/817767500.db2.gz MLLCFURKCZOMCI-LJQANCHMSA-N 1 0 391.519 4.433 20 0 GIADRO COc1cc(Br)c(C[N@@H+]2CC[C@H](c3cc(C)ccn3)C2)cc1OC ZINC000572131444 823287732 /nfs/dbraw/zinc/28/77/32/823287732.db2.gz BMNATWUVSIQTEQ-AWEZNQCLSA-N 1 0 391.309 4.159 20 0 GIADRO CCc1cccc(C)c1NC(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000176767877 823288096 /nfs/dbraw/zinc/28/80/96/823288096.db2.gz KRTPMZMYQDIJRV-RTBURBONSA-N 1 0 387.568 4.301 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N[C@H]1COCc2ccccc21 ZINC000572133230 823288101 /nfs/dbraw/zinc/28/81/01/823288101.db2.gz HDLZSYLELALBGK-JPYJTQIMSA-N 1 0 393.531 4.132 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N[C@@H]1COCc2ccccc21 ZINC000572133229 823288258 /nfs/dbraw/zinc/28/82/58/823288258.db2.gz HDLZSYLELALBGK-FDDCHVKYSA-N 1 0 393.531 4.132 20 0 GIADRO Cc1ccc2c(CC[NH2+][C@@H](C)c3ccc(N4CCOC4=O)cc3)cn(C)c2c1 ZINC000188699843 823288330 /nfs/dbraw/zinc/28/83/30/823288330.db2.gz PPTATKSZYCAPQS-KRWDZBQOSA-N 1 0 377.488 4.337 20 0 GIADRO CCN(C(=O)Nc1cnn(-c2ccccc2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000460123059 823289005 /nfs/dbraw/zinc/28/90/05/823289005.db2.gz AQYDOVFKZWRQLO-JOCHJYFZSA-N 1 0 389.503 4.001 20 0 GIADRO Cc1c(Cl)cccc1NC(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000176771923 823289404 /nfs/dbraw/zinc/28/94/04/823289404.db2.gz YLWKAYCYVHXQGK-IYBDPMFKSA-N 1 0 393.959 4.392 20 0 GIADRO CCOc1ccc(NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000572142703 823289790 /nfs/dbraw/zinc/28/97/90/823289790.db2.gz GNDZUEADWFOYIB-PMACEKPBSA-N 1 0 379.504 4.071 20 0 GIADRO CCS(=O)(=O)c1ccc(N2CCC([NH2+]C3CCCCCCC3)CC2)cc1 ZINC000121992991 823289985 /nfs/dbraw/zinc/28/99/85/823289985.db2.gz XGDSQCARNVUTQY-UHFFFAOYSA-N 1 0 378.582 4.152 20 0 GIADRO C[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000460128812 823290509 /nfs/dbraw/zinc/29/05/09/823290509.db2.gz NGMFNTTUNWIPPJ-AWEZNQCLSA-N 1 0 390.915 4.079 20 0 GIADRO CC(C)(C)[N@@H+]1CCCN(C(=O)Nc2ccccc2-c2ncc3n2CCCC3)CC1 ZINC000572150726 823290675 /nfs/dbraw/zinc/29/06/75/823290675.db2.gz GHRMXCUMISDIGR-UHFFFAOYSA-N 1 0 395.551 4.225 20 0 GIADRO Cc1ccccc1C1(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)CCOCC1 ZINC000057398469 823290766 /nfs/dbraw/zinc/29/07/66/823290766.db2.gz PROISTRWPDCVFE-UHFFFAOYSA-N 1 0 392.543 4.320 20 0 GIADRO CCS(=O)(=O)c1ccc(N2CCC([NH2+][C@H]3CCC[C@H](C4CC4)C3)CC2)cc1 ZINC000122005507 823291980 /nfs/dbraw/zinc/29/19/80/823291980.db2.gz UKJCMFIGSFWUCW-ICSRJNTNSA-N 1 0 390.593 4.007 20 0 GIADRO CCN(C(=O)Nc1cc(F)c(F)c(F)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000460136129 823292876 /nfs/dbraw/zinc/29/28/76/823292876.db2.gz XEISFJAGPUGZQH-INIZCTEOSA-N 1 0 377.410 4.232 20 0 GIADRO O=C(c1ccc([N+](=O)[O-])cc1)C(C(=S)Nc1ccc(F)cc1)[n+]1ccccc1 ZINC000007611330 817879240 /nfs/dbraw/zinc/87/92/40/817879240.db2.gz FJCIEKPSYJLJSZ-UHFFFAOYSA-O 1 0 396.423 4.072 20 0 GIADRO C[C@H]([NH2+][C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)c1cccc(CO)c1 ZINC000122025924 823295392 /nfs/dbraw/zinc/29/53/92/823295392.db2.gz WAPCUBJYPWUUHD-GAJHUEQPSA-N 1 0 395.524 4.023 20 0 GIADRO Cc1ccc([C@H](CNC(=O)N(C)[C@H]2CC[C@@H](C(F)(F)F)CC2)[NH+](C)C)cc1 ZINC000460144458 823296140 /nfs/dbraw/zinc/29/61/40/823296140.db2.gz WWYJTPBQIPRLHY-KSZLIROESA-N 1 0 385.474 4.360 20 0 GIADRO CCOC(=O)C1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000007663541 817891344 /nfs/dbraw/zinc/89/13/44/817891344.db2.gz NQMRTSSMBUGGOR-UHFFFAOYSA-N 1 0 389.499 4.314 20 0 GIADRO CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000409739378 823296263 /nfs/dbraw/zinc/29/62/63/823296263.db2.gz XJLLNXJAPVRADS-XLIONFOSSA-N 1 0 396.934 4.137 20 0 GIADRO CCc1ccc([C@H](CNC(=O)Cc2cccc(C(F)(F)F)c2)[NH+](C)C)cc1 ZINC000007684803 817895156 /nfs/dbraw/zinc/89/51/56/817895156.db2.gz VGDMJWZQRPHCNP-IBGZPJMESA-N 1 0 378.438 4.229 20 0 GIADRO Cc1nc(COc2ccc(C[NH2+]C3CCN(CC(F)(F)F)CC3)cc2)cs1 ZINC000409743592 823297236 /nfs/dbraw/zinc/29/72/36/823297236.db2.gz BYZBITPPNIZYSV-UHFFFAOYSA-N 1 0 399.482 4.147 20 0 GIADRO COc1ccc(C[C@](C)(O)C[NH2+][C@@H]2CC[C@@](C)(c3ccccc3)C2)cc1OC ZINC000572209000 823300747 /nfs/dbraw/zinc/30/07/47/823300747.db2.gz IGZYTVIGNUYVJK-HUVFLSCGSA-N 1 0 383.532 4.097 20 0 GIADRO CCc1nc(C)c([C@@H](C)N(C)C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)s1 ZINC000176817687 823300794 /nfs/dbraw/zinc/30/07/94/823300794.db2.gz LWDABDVPEJWLPY-CQSZACIVSA-N 1 0 392.544 4.117 20 0 GIADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)C(Cc2ccccc2)Cc2ccccc2)C1 ZINC000409760555 823300861 /nfs/dbraw/zinc/30/08/61/823300861.db2.gz KJVDHBDCBGMVHY-QHCPKHFHSA-N 1 0 378.560 4.278 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(Cc2ccccc2)Cc2ccccc2)C1 ZINC000409761156 823301206 /nfs/dbraw/zinc/30/12/06/823301206.db2.gz BBSQGYVMAFAPJC-QHCPKHFHSA-N 1 0 378.560 4.278 20 0 GIADRO COc1ccc(C)cc1NC(=O)[C@@H]([NH2+]CCCc1nccs1)c1ccccc1 ZINC000572212388 823301431 /nfs/dbraw/zinc/30/14/31/823301431.db2.gz AWXJROCANAPFNZ-NRFANRHFSA-N 1 0 395.528 4.362 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)[C@H]2COc3ccc(Cl)cc3C2)cc1 ZINC000007828722 817927841 /nfs/dbraw/zinc/92/78/41/817927841.db2.gz YRWZJDNKMBODQV-LJQANCHMSA-N 1 0 386.923 4.049 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccccc2C)cc1Br ZINC000007879137 817947539 /nfs/dbraw/zinc/94/75/39/817947539.db2.gz CPIKIWJIZOHUMI-ZDUSSCGKSA-N 1 0 377.282 4.055 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2c(C)cccc2C)cc1Br ZINC000007879188 817947577 /nfs/dbraw/zinc/94/75/77/817947577.db2.gz DQORQOYKLMNREL-CQSZACIVSA-N 1 0 391.309 4.364 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cccc(C)c2C)cc1Br ZINC000007879163 817947657 /nfs/dbraw/zinc/94/76/57/817947657.db2.gz RFWUIWIZKUDGLR-CQSZACIVSA-N 1 0 391.309 4.364 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)N(Cc1ccccc1)CC1CCC1 ZINC000057482448 823302818 /nfs/dbraw/zinc/30/28/18/823302818.db2.gz UQDZHMWGLQDMMG-UHFFFAOYSA-N 1 0 392.547 4.058 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)CC1 ZINC000572197611 823298346 /nfs/dbraw/zinc/29/83/46/823298346.db2.gz JEZHSBPZFPSWPN-NHCUHLMSSA-N 1 0 375.532 4.225 20 0 GIADRO CN(C)C[C@@H]([NH2+]Cc1cccc(OCc2ccccn2)c1)c1ccc(F)cc1 ZINC000572200904 823298715 /nfs/dbraw/zinc/29/87/15/823298715.db2.gz KUKICFGPZFWFIW-HSZRJFAPSA-N 1 0 379.479 4.192 20 0 GIADRO Cc1cccc(C)c1C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000122052992 823299040 /nfs/dbraw/zinc/29/90/40/823299040.db2.gz UCVKGDMEUDUPGY-UHFFFAOYSA-N 1 0 380.532 4.105 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc(OC(F)(F)F)cc1 ZINC000007946250 817966908 /nfs/dbraw/zinc/96/69/08/817966908.db2.gz XJHFJHVRMPQELO-UHFFFAOYSA-N 1 0 380.410 4.357 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H]1COc2ccc(Cl)cc2C1 ZINC000007946113 817967125 /nfs/dbraw/zinc/96/71/25/817967125.db2.gz JWUOCFGJIXUAIW-LJQANCHMSA-N 1 0 386.923 4.049 20 0 GIADRO COc1ccc2nc(C[NH2+][C@@H]3CCO[C@H]3c3ccc(F)c(F)c3)sc2c1 ZINC000188760629 823299256 /nfs/dbraw/zinc/29/92/56/823299256.db2.gz AQPBHZMMPRDJMJ-APWZRJJASA-N 1 0 376.428 4.203 20 0 GIADRO C[NH+](C)CCN(C(=O)CCc1cc(Br)cs1)c1ccccc1 ZINC000409754509 823299477 /nfs/dbraw/zinc/29/94/77/823299477.db2.gz UPFMSZFPHOSVKJ-UHFFFAOYSA-N 1 0 381.339 4.038 20 0 GIADRO Cc1cccnc1[C@@H](NC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1)C(C)C ZINC000176813633 823299793 /nfs/dbraw/zinc/29/97/93/823299793.db2.gz ODYWJOYNLIOJPY-IRLDBZIGSA-N 1 0 394.563 4.393 20 0 GIADRO COc1ccc([C@@H](C)N[C@H](C)c2ccncc2OC)cc1C[NH+]1CCCCC1 ZINC000188764554 823299870 /nfs/dbraw/zinc/29/98/70/823299870.db2.gz CHJOZSJZABRXGU-QZTJIDSGSA-N 1 0 383.536 4.497 20 0 GIADRO C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CC[NH+](CC2(C)CC2)CC1 ZINC000572221123 823303557 /nfs/dbraw/zinc/30/35/57/823303557.db2.gz KHIKPPWIPVJFQM-AWEZNQCLSA-N 1 0 394.441 4.234 20 0 GIADRO O=c1ccn(C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)c2c(Br)cccc12 ZINC000176827428 823303559 /nfs/dbraw/zinc/30/35/59/823303559.db2.gz SAQKBTIZGMZTAM-RDJZCZTQSA-N 1 0 393.350 4.082 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCC(C(F)(F)F)CC2)CC1 ZINC000176827866 823303608 /nfs/dbraw/zinc/30/36/08/823303608.db2.gz UVLNZUDUQNSQBF-OAHLLOKOSA-N 1 0 383.458 4.196 20 0 GIADRO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)C[C@H]2C=CCCC2)ccc1Cl ZINC000188802209 823308436 /nfs/dbraw/zinc/30/84/36/823308436.db2.gz QJXXDGQHDSNWKG-INIZCTEOSA-N 1 0 391.943 4.097 20 0 GIADRO O=C(N[C@H](c1c(Cl)cccc1Cl)C1CC1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000572227346 823304391 /nfs/dbraw/zinc/30/43/91/823304391.db2.gz PZDVCDAJNJZFLJ-NPSOMJIGSA-N 1 0 382.335 4.132 20 0 GIADRO C[NH+](C)[C@H](CNC(=S)Nc1cccc(Br)c1)c1ccccc1 ZINC000008105277 818001085 /nfs/dbraw/zinc/00/10/85/818001085.db2.gz YXPVXBBWHUWRLW-MRXNPFEDSA-N 1 0 378.339 4.038 20 0 GIADRO C[NH+](C)CC1(C(=O)NCc2ccc(Oc3ccc(F)cc3)nc2)CCCCC1 ZINC000460183376 823308663 /nfs/dbraw/zinc/30/86/63/823308663.db2.gz FKBLFNLOELYRQB-UHFFFAOYSA-N 1 0 385.483 4.141 20 0 GIADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1ccc2nc(C)oc2c1 ZINC000176837325 823305882 /nfs/dbraw/zinc/30/58/82/823305882.db2.gz BIXUQCHDPJZFJC-IBGZPJMESA-N 1 0 393.491 4.050 20 0 GIADRO CCn1c(Cc2ccc3ccccc3c2)nnc1N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000460177352 823306524 /nfs/dbraw/zinc/30/65/24/823306524.db2.gz LMRHMZWCRAQGFG-PGRDOPGGSA-N 1 0 391.563 4.351 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc(C(F)(F)F)ccc1F ZINC000176843424 823307086 /nfs/dbraw/zinc/30/70/86/823307086.db2.gz XVIVCRSDACHBRH-UHFFFAOYSA-N 1 0 380.385 4.239 20 0 GIADRO CCN(CC)C(=O)c1cccc(NC(=O)C[N@H+](Cc2ccccc2)C(C)C)c1 ZINC000011034793 818046345 /nfs/dbraw/zinc/04/63/45/818046345.db2.gz ZNRKAOSNBBMSLB-UHFFFAOYSA-N 1 0 381.520 4.018 20 0 GIADRO C[C@H]([NH2+]CC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000011046105 818047207 /nfs/dbraw/zinc/04/72/07/818047207.db2.gz CWYKLHBMJJMKOA-KRWDZBQOSA-N 1 0 388.467 4.164 20 0 GIADRO C[C@@H]([NH2+]CC(c1ccccc1)c1ccccc1)C(=O)N1CCc2ccccc2C1 ZINC000011046467 818047786 /nfs/dbraw/zinc/04/77/86/818047786.db2.gz VDMLLUZYWYSYEX-HXUWFJFHSA-N 1 0 384.523 4.382 20 0 GIADRO C[C@@H](CC(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000176844477 823307572 /nfs/dbraw/zinc/30/75/72/823307572.db2.gz NPIXMEMOGJSWKW-NRFANRHFSA-N 1 0 394.559 4.368 20 0 GIADRO CC1(C)CN(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)[C@H]1c1cccnc1 ZINC000572259382 823308965 /nfs/dbraw/zinc/30/89/65/823308965.db2.gz MPFFYBGEAQFJIH-INIZCTEOSA-N 1 0 378.398 4.174 20 0 GIADRO Cc1ccc(NC(=O)C(C)C)cc1NC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000057541731 823308048 /nfs/dbraw/zinc/30/80/48/823308048.db2.gz NKVUTOWQFRUCKM-FQEVSTJZSA-N 1 0 382.508 4.014 20 0 GIADRO Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000057553011 823309541 /nfs/dbraw/zinc/30/95/41/823309541.db2.gz GXVPMIRUODGMDP-IBGZPJMESA-N 1 0 385.511 4.106 20 0 GIADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000572263545 823309566 /nfs/dbraw/zinc/30/95/66/823309566.db2.gz JWIOPCDBPDULDR-HHXXYDBFSA-N 1 0 389.337 4.000 20 0 GIADRO C[C@H](NC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000572263122 823309584 /nfs/dbraw/zinc/30/95/84/823309584.db2.gz GKZDSURJTOKEAQ-SUMWQHHRSA-N 1 0 399.457 4.066 20 0 GIADRO Cc1cc(Br)cc(C[NH2+]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)c1O ZINC000188807513 823309951 /nfs/dbraw/zinc/30/99/51/823309951.db2.gz JREISPOKLWOFHL-SWLSCSKDSA-N 1 0 396.247 4.036 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@@H]2CCc3sc(Cl)cc32)ccc1S(C)(=O)=O ZINC000572291950 823314821 /nfs/dbraw/zinc/31/48/21/823314821.db2.gz KDKJXOWSNQWQAA-GXFFZTMASA-N 1 0 385.938 4.152 20 0 GIADRO COCCOc1ccc([C@@H](C)[NH2+]Cc2ccc(Br)c(F)c2)cc1 ZINC000122127280 823310264 /nfs/dbraw/zinc/31/02/64/823310264.db2.gz PTAUVGIAVPDAOV-CYBMUJFWSA-N 1 0 382.273 4.464 20 0 GIADRO CC[C@H](NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)c1ccccc1OC(F)F ZINC000057613083 823314934 /nfs/dbraw/zinc/31/49/34/823314934.db2.gz LQTCGKUTQZSDEY-INIZCTEOSA-N 1 0 383.483 4.255 20 0 GIADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)CC2CCC(c3ccccc3)CC2)CC1 ZINC000572272697 823311405 /nfs/dbraw/zinc/31/14/05/823311405.db2.gz QGSYMNYKNJKSBF-MJZONDGZSA-N 1 0 384.564 4.095 20 0 GIADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Nc1nc(C2CC2)cs1 ZINC000176860185 823312008 /nfs/dbraw/zinc/31/20/08/823312008.db2.gz DUCFWSAYFKDHMY-UHFFFAOYSA-N 1 0 378.464 4.149 20 0 GIADRO C[C@H](CCc1n[nH]c2ccccc21)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000572278985 823312230 /nfs/dbraw/zinc/31/22/30/823312230.db2.gz MMNBIXHVFRUVRR-CQSZACIVSA-N 1 0 377.448 4.106 20 0 GIADRO CC[NH+](CC)CCCNC(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000011922072 818129153 /nfs/dbraw/zinc/12/91/53/818129153.db2.gz SCVGCCWCHOQIQO-UHFFFAOYSA-N 1 0 390.531 4.060 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc4cc(Cl)ccc4o3)cc2)CC1 ZINC000011951127 818131995 /nfs/dbraw/zinc/13/19/95/818131995.db2.gz OBYNNEHOHQFCMM-UHFFFAOYSA-N 1 0 383.879 4.480 20 0 GIADRO Cc1c(C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)cnn1C1CCCC1 ZINC000122163805 823315241 /nfs/dbraw/zinc/31/52/41/823315241.db2.gz WQTBLEDLTBHYAX-QGZVFWFLSA-N 1 0 380.536 4.262 20 0 GIADRO C[C@@H]1CCCc2ccccc2[C@H]1[NH2+][C@@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000572291922 823314352 /nfs/dbraw/zinc/31/43/52/823314352.db2.gz ISNKCFLBFZDPCW-RTOPAQNCSA-N 1 0 384.545 4.015 20 0 GIADRO CCc1nn(C)c(CC)c1CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000188834649 823315331 /nfs/dbraw/zinc/31/53/31/823315331.db2.gz ANGRYXRHBZWFPZ-QGZVFWFLSA-N 1 0 382.552 4.101 20 0 GIADRO O=C(CCCC1CCOCC1)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000409817811 823315812 /nfs/dbraw/zinc/31/58/12/823315812.db2.gz AYJYLOHJXBPVPX-DHIUTWEWSA-N 1 0 384.564 4.096 20 0 GIADRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)Cc1cccc2cccnc21 ZINC000122169568 823316183 /nfs/dbraw/zinc/31/61/83/823316183.db2.gz HNWGQLIQMPOWTA-OALUTQOASA-N 1 0 387.527 4.050 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@H](C)c2ccc(F)cc2F)c1 ZINC000122170402 823316240 /nfs/dbraw/zinc/31/62/40/823316240.db2.gz IJIKTDGHRBBZBX-QWHCGFSZSA-N 1 0 378.419 4.050 20 0 GIADRO CC[N@H+](CCC1CCN(C(=O)c2ncc3cc(Cl)ccn32)CC1)CC(C)C ZINC000572301426 823316446 /nfs/dbraw/zinc/31/64/46/823316446.db2.gz FCEHCXSAAFTKTQ-UHFFFAOYSA-N 1 0 390.959 4.208 20 0 GIADRO Cc1ncc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c(C2CC2)n1 ZINC000572305504 823317222 /nfs/dbraw/zinc/31/72/22/823317222.db2.gz OMPDEWMGPRQMRO-HXUWFJFHSA-N 1 0 393.535 4.085 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)c2cc(C3CC3)nc3onc(C)c32)cc1 ZINC000012791969 818182075 /nfs/dbraw/zinc/18/20/75/818182075.db2.gz ZYOFUZVEZHAINT-UHFFFAOYSA-N 1 0 392.503 4.180 20 0 GIADRO CCn1c(Cc2ccsc2)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000460215279 823319851 /nfs/dbraw/zinc/31/98/51/823319851.db2.gz JPHSJNYPCXCFHR-UHFFFAOYSA-N 1 0 395.576 4.051 20 0 GIADRO CC(C)CNC(=O)c1ccccc1NC(=O)C[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000014259241 818230381 /nfs/dbraw/zinc/23/03/81/818230381.db2.gz RNTAYEBVAWKUNG-OAHLLOKOSA-N 1 0 387.911 4.015 20 0 GIADRO Cc1cc(Br)cc(NC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000188879943 823321956 /nfs/dbraw/zinc/32/19/56/823321956.db2.gz XXMLYZDPZCZGRE-HNNXBMFYSA-N 1 0 380.330 4.097 20 0 GIADRO CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000460221945 823322325 /nfs/dbraw/zinc/32/23/25/823322325.db2.gz MKRDHCJZNSRRAH-WMLDXEAASA-N 1 0 395.473 4.150 20 0 GIADRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000176913674 823323062 /nfs/dbraw/zinc/32/30/62/823323062.db2.gz KVBXBHOZHAYHRB-GFCCVEGCSA-N 1 0 389.348 4.295 20 0 GIADRO Cc1cnc(CC[NH2+][C@@H]2CCCc3c4cc(Br)ccc4[nH]c32)cn1 ZINC000572335429 823323231 /nfs/dbraw/zinc/32/32/31/823323231.db2.gz DNWIEPGBFVEQLI-GOSISDBHSA-N 1 0 385.309 4.239 20 0 GIADRO COc1ccccc1CN(Cc1cccs1)C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000460227850 823323865 /nfs/dbraw/zinc/32/38/65/823323865.db2.gz HMUICJFOPKGXRE-UHFFFAOYSA-N 1 0 399.560 4.121 20 0 GIADRO CN(C(=O)c1cccc(C2CCC2)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000409852690 823326430 /nfs/dbraw/zinc/32/64/30/823326430.db2.gz JTXVTNGXQOIEAB-DNQXCXABSA-N 1 0 397.607 4.363 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)c1cccc(CO)c1 ZINC000122228701 823324653 /nfs/dbraw/zinc/32/46/53/823324653.db2.gz FWJYFZNETDSKJS-BLLLJJGKSA-N 1 0 399.844 4.176 20 0 GIADRO CCC[NH+]1CCC(N(C)c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC)CC1 ZINC000460231506 823324954 /nfs/dbraw/zinc/32/49/54/823324954.db2.gz KOZJNERYVAFQFZ-LJQANCHMSA-N 1 0 399.583 4.365 20 0 GIADRO Cc1ccc(C[C@@H]2CCCN(C(=O)C3CCN(c4cc[nH+]cc4C)CC3)C2)cc1 ZINC000572344347 823325053 /nfs/dbraw/zinc/32/50/53/823325053.db2.gz UPFADGHUZSBHNK-QFIPXVFZSA-N 1 0 391.559 4.396 20 0 GIADRO COc1ccc([C@H]2CCCCCN2C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)cc1 ZINC000572345898 823325359 /nfs/dbraw/zinc/32/53/59/823325359.db2.gz SRYNKYDBKLGSPA-OAQYLSRUSA-N 1 0 395.503 4.326 20 0 GIADRO Cc1cccc(NC(=O)[C@@H](C)[NH2+][C@H]2CCOc3c(Br)cccc32)c1 ZINC000409849434 823325468 /nfs/dbraw/zinc/32/54/68/823325468.db2.gz IFMJXDSIUGBILL-DYVFJYSZSA-N 1 0 389.293 4.198 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)COc2ccc(Cl)c3ccccc23)cc1 ZINC000015172220 818297205 /nfs/dbraw/zinc/29/72/05/818297205.db2.gz QMADEGVPNZLBJY-UHFFFAOYSA-N 1 0 382.891 4.250 20 0 GIADRO C[C@H](O)[C@](C)(C[NH2+]C1CCC2(CC1)C(=O)Nc1ccccc12)Cc1ccccc1 ZINC000188909962 823327010 /nfs/dbraw/zinc/32/70/10/823327010.db2.gz JVUGSPIOGFBJHN-HMKHSRINSA-N 1 0 392.543 4.039 20 0 GIADRO O=C(CCCC1CCOCC1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000409854035 823327103 /nfs/dbraw/zinc/32/71/03/823327103.db2.gz PTGXIIRNXHMHAL-UHFFFAOYSA-N 1 0 392.971 4.361 20 0 GIADRO CCC(CC)(CNC(=O)N1CC[C@H](n2cc(C)cn2)C1)[NH2+][C@H](C)c1ccccc1 ZINC000460237833 823327100 /nfs/dbraw/zinc/32/71/00/823327100.db2.gz BMCLMEVYSLCXEF-CTNGQTDRSA-N 1 0 397.567 4.058 20 0 GIADRO COc1ccc(-c2nnc(SCC[NH+](C)C)n2C2CCCCC2)cc1OC ZINC000057746644 823327539 /nfs/dbraw/zinc/32/75/39/823327539.db2.gz VOTLMHWIEDYTIM-UHFFFAOYSA-N 1 0 390.553 4.121 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)c2cccc3ccc(=O)[nH]c32)CC[N@@H+]1Cc1ccccc1 ZINC000572370111 823328321 /nfs/dbraw/zinc/32/83/21/823328321.db2.gz FJIGUDYXSJQUSC-XLIONFOSSA-N 1 0 389.499 4.066 20 0 GIADRO C[C@H](NC(=O)N1CCC(c2ccsc2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000188919824 823328392 /nfs/dbraw/zinc/32/83/92/823328392.db2.gz MRQRAJUTTAHZAU-WMZOPIPTSA-N 1 0 375.582 4.290 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1cc(C)ccc1OC ZINC000015499754 818330715 /nfs/dbraw/zinc/33/07/15/818330715.db2.gz JYUTXTDLGONSSF-KGLIPLIRSA-N 1 0 376.884 4.343 20 0 GIADRO C[C@H]1C[C@@H](NC(=O)Nc2ccc(F)c(F)c2F)CC[N@@H+]1Cc1ccccc1 ZINC000176948875 823332150 /nfs/dbraw/zinc/33/21/50/823332150.db2.gz CFWBFWQEZHFLGO-ZFWWWQNUSA-N 1 0 377.410 4.279 20 0 GIADRO CC1CC[NH+]([C@H](CNC(=S)NCc2cccs2)c2cccs2)CC1 ZINC000057765615 823329783 /nfs/dbraw/zinc/32/97/83/823329783.db2.gz VVONXAWBBMZKQF-MRXNPFEDSA-N 1 0 379.620 4.247 20 0 GIADRO O=C(COc1c(Cl)cccc1Cl)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000015988666 818381402 /nfs/dbraw/zinc/38/14/02/818381402.db2.gz GKJPMIKTZPDPKT-INIZCTEOSA-N 1 0 397.302 4.309 20 0 GIADRO O=S1(=O)CCC[C@@H](C[NH2+]Cc2ccccc2Oc2ccc(F)cc2Cl)C1 ZINC000572400600 823333065 /nfs/dbraw/zinc/33/30/65/823333065.db2.gz RBVDXPSQCOWAHF-AWEZNQCLSA-N 1 0 397.899 4.186 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2csc(-c3ccc(Cl)cc3)n2)[C@H](C)C1 ZINC000122290415 823333192 /nfs/dbraw/zinc/33/31/92/823333192.db2.gz VIJQDPWOLMDUNY-CXAGYDPISA-N 1 0 377.941 4.266 20 0 GIADRO COCC[N@H+](C)CCCC1CCN(C(=O)CC2CC(c3ccccc3)C2)CC1 ZINC000409877769 823333488 /nfs/dbraw/zinc/33/34/88/823333488.db2.gz UBQVHTKOTMDJPU-UHFFFAOYSA-N 1 0 386.580 4.167 20 0 GIADRO COc1ccccc1[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC000572409344 823334166 /nfs/dbraw/zinc/33/41/66/823334166.db2.gz JVISGYUOXMKRFG-QUCCMNQESA-N 1 0 383.532 4.222 20 0 GIADRO C[C@@H]1C[N@@H+]([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CCC1(F)F ZINC000572411925 823334514 /nfs/dbraw/zinc/33/45/14/823334514.db2.gz KUAZLCATLOQQMC-CJNGLKHVSA-N 1 0 390.396 4.174 20 0 GIADRO CCc1ccc(NC(=S)NC[C@H](c2ccccc2OC)[NH+]2CCCC2)cc1 ZINC000016241325 818409693 /nfs/dbraw/zinc/40/96/93/818409693.db2.gz LNUTTXNTSMMJRB-HXUWFJFHSA-N 1 0 383.561 4.381 20 0 GIADRO C[NH+](C)C[C@@H](NC(=O)Nc1ccc(Cl)cc1OC(F)F)c1ccccc1 ZINC000460265096 823334931 /nfs/dbraw/zinc/33/49/31/823334931.db2.gz YLCROOGHUDIDOH-OAHLLOKOSA-N 1 0 383.826 4.366 20 0 GIADRO CSC1(CNC(=O)N[C@@H](C)c2cc3ccccc3s2)CC[NH+](C)CC1 ZINC000460276265 823337605 /nfs/dbraw/zinc/33/76/05/823337605.db2.gz NTNZIJCILURCEG-AWEZNQCLSA-N 1 0 377.579 4.089 20 0 GIADRO Cc1cccc(NC(=O)[C@H](C)OC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000016402193 818436255 /nfs/dbraw/zinc/43/62/55/818436255.db2.gz QYDGVAOKBUUYLH-SFHVURJKSA-N 1 0 380.488 4.165 20 0 GIADRO [NH2+]=C(NCC[C@H]1c2ccccc2NC1=O)Nc1cccc(Oc2ccccc2)c1 ZINC000176966029 823336815 /nfs/dbraw/zinc/33/68/15/823336815.db2.gz CPSUJZKROMEGCA-FQEVSTJZSA-N 1 0 386.455 4.332 20 0 GIADRO COc1ccc2cc([C@H](C)C(=O)NC[C@@H](c3ccccc3)[NH+](C)C)ccc2c1 ZINC000016599531 818458978 /nfs/dbraw/zinc/45/89/78/818458978.db2.gz NLVFUGPSYUZNBS-SBUREZEXSA-N 1 0 376.500 4.371 20 0 GIADRO O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)c1cc(Cl)sc1Cl ZINC000189019883 823342925 /nfs/dbraw/zinc/34/29/25/823342925.db2.gz SMVICIHLEOEKJU-ZANVPECISA-N 1 0 391.270 4.209 20 0 GIADRO C[C@@H](C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000409898752 823339363 /nfs/dbraw/zinc/33/93/63/823339363.db2.gz RIKFBIKUKZFLLJ-OAHLLOKOSA-N 1 0 391.437 4.237 20 0 GIADRO S=C(NC[C@H](c1ccco1)[NH+]1CCCC1)Nc1cccc(Br)c1 ZINC000016943667 818490034 /nfs/dbraw/zinc/49/00/34/818490034.db2.gz FSKBTLMTNZAVOU-OAHLLOKOSA-N 1 0 394.338 4.166 20 0 GIADRO O=C(Cc1cccc(OC(F)F)c1)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000409903593 823340652 /nfs/dbraw/zinc/34/06/52/823340652.db2.gz QKAUBJPCHOBBKH-IBGZPJMESA-N 1 0 388.458 4.001 20 0 GIADRO C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2C(=O)c2ccccc2)CCC1(F)F ZINC000572446232 823340861 /nfs/dbraw/zinc/34/08/61/823340861.db2.gz LNWWDFWZFKEMMU-INIZCTEOSA-N 1 0 386.442 4.223 20 0 GIADRO CC[NH+](CC)CC1CCN([C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000057847234 823340828 /nfs/dbraw/zinc/34/08/28/823340828.db2.gz VPHHTIFLYPYJSO-CQSZACIVSA-N 1 0 386.367 4.374 20 0 GIADRO Cc1csc2nc(C[NH2+]C(C)(C)c3cccc(C(F)(F)F)c3)cc(=O)n12 ZINC000057846883 823340847 /nfs/dbraw/zinc/34/08/47/823340847.db2.gz VGTDBDRHNOHOKP-UHFFFAOYSA-N 1 0 381.423 4.108 20 0 GIADRO COCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccc(Br)c1 ZINC000017309808 818507783 /nfs/dbraw/zinc/50/77/83/818507783.db2.gz JAIOYKQYBGKIHO-UHFFFAOYSA-N 1 0 386.293 4.038 20 0 GIADRO COc1ccc(C(=O)Nc2cccc(C[NH2+]CCOc3ccccc3)c2)cc1 ZINC000017313276 818508544 /nfs/dbraw/zinc/50/85/44/818508544.db2.gz KFIJSDNTNPOIMD-UHFFFAOYSA-N 1 0 376.456 4.116 20 0 GIADRO Cc1ccc(Cn2cc(C[NH2+]C3CCN(C)CC3)c(-c3ccc(C)cc3)n2)cc1 ZINC000017314084 818508579 /nfs/dbraw/zinc/50/85/79/818508579.db2.gz IIZRZFLPFHDYGJ-UHFFFAOYSA-N 1 0 388.559 4.399 20 0 GIADRO c1cn(CCc2noc([C@H]3CCC[N@H+](Cc4cccnc4)C3)n2)c2ccccc12 ZINC000572448386 823341374 /nfs/dbraw/zinc/34/13/74/823341374.db2.gz KRBOAZPFKBMWLO-FQEVSTJZSA-N 1 0 387.487 4.042 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(Cl)c(OCC(C)C)c(OC)c2)[C@H](C)C1 ZINC000122357424 823343287 /nfs/dbraw/zinc/34/32/87/823343287.db2.gz YFXQHAYIRKLNEL-CRAIPNDOSA-N 1 0 396.959 4.186 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)NC(C)(C)COCc2ccccc2)cc1)C1CC1 ZINC000409915652 823343325 /nfs/dbraw/zinc/34/33/25/823343325.db2.gz YNTUNHULIDRMFC-UHFFFAOYSA-N 1 0 380.532 4.396 20 0 GIADRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)Nc2ccc3c(c2)OC(C)(C)O3)C1 ZINC000057856789 823342297 /nfs/dbraw/zinc/34/22/97/823342297.db2.gz SOYRIPRXJHEPQD-HOTGVXAUSA-N 1 0 375.513 4.074 20 0 GIADRO COc1ccc([C@H](CNC(=O)C23CC4CC(CC(C4)C2)C3)[NH+]2CCCC2)cc1 ZINC000017911495 818532863 /nfs/dbraw/zinc/53/28/63/818532863.db2.gz YAKYHPKYYZRVDC-NIRMEOIISA-N 1 0 382.548 4.165 20 0 GIADRO CCOc1cccc2cc([C@@H](C)NC(=O)Nc3cccc4c3CC[NH2+]C4)oc21 ZINC000572465148 823345021 /nfs/dbraw/zinc/34/50/21/823345021.db2.gz BYBHMAKGWXYUIE-CQSZACIVSA-N 1 0 379.460 4.360 20 0 GIADRO COc1cccc(N2CC[C@@H](C[NH2+][C@@H](C)Cc3ccc(OC)c(OC)c3C)C2)c1 ZINC000572468836 823345435 /nfs/dbraw/zinc/34/54/35/823345435.db2.gz MEUQIHLSHBTUPN-HKUYNNGSSA-N 1 0 398.547 4.068 20 0 GIADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=S)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000018164540 818553167 /nfs/dbraw/zinc/55/31/67/818553167.db2.gz LPOSPEBBUILYHO-OAQYLSRUSA-N 1 0 399.560 4.122 20 0 GIADRO C[C@H]1C[C@H](NC(=O)Nc2ccccc2-n2cccn2)CC[N@@H+]1Cc1ccccc1 ZINC000177016238 823349867 /nfs/dbraw/zinc/34/98/67/823349867.db2.gz YNICJGSFOOYCRR-AZUAARDMSA-N 1 0 389.503 4.047 20 0 GIADRO CO[C@@H](CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000460312665 823349541 /nfs/dbraw/zinc/34/95/41/823349541.db2.gz NZNVMBVWZYVWAP-CTNGQTDRSA-N 1 0 386.923 4.056 20 0 GIADRO CCC(CC)[C@@H]1C[C@H]([NH2+]C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)CCO1 ZINC000572476834 823346963 /nfs/dbraw/zinc/34/69/63/823346963.db2.gz NDMVGVQJPUEJBB-ZFCZOSEKSA-N 1 0 383.960 4.352 20 0 GIADRO CC[N@H+](C)[C@H](C(=O)NCc1cccc(NC(=O)C2CCCC2)c1)c1ccccc1 ZINC000057914490 823347910 /nfs/dbraw/zinc/34/79/10/823347910.db2.gz MORFYMBUEYWKKC-QFIPXVFZSA-N 1 0 393.531 4.125 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[NH2+][C@H](Cc2ccccc2)c2ccccc2)c1 ZINC000019538662 818593688 /nfs/dbraw/zinc/59/36/88/818593688.db2.gz YAROYACAQPTEIA-OAQYLSRUSA-N 1 0 390.483 4.216 20 0 GIADRO Fc1ccc(Cn2cc(C[NH2+]Cc3ccc(OC4CCCC4)nc3)cn2)cc1 ZINC000189050269 823348416 /nfs/dbraw/zinc/34/84/16/823348416.db2.gz ZRHOPHGZNTYLCF-UHFFFAOYSA-N 1 0 380.467 4.077 20 0 GIADRO O=C(Cc1csc(-c2ccc(Cl)s2)n1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000572486789 823348504 /nfs/dbraw/zinc/34/85/04/823348504.db2.gz KFDOBUAFUWDVDI-TZMCWYRMSA-N 1 0 395.981 4.058 20 0 GIADRO COc1ccc(Oc2cc(C[NH2+]C[C@@H](O)[C@H](C)c3ccccc3)ccn2)cc1 ZINC000572511782 823351885 /nfs/dbraw/zinc/35/18/85/823351885.db2.gz RFQPTMRZVLKIFX-VGOFRKELSA-N 1 0 378.472 4.137 20 0 GIADRO O[C@H](C[NH2+]Cc1ccc(CSC(F)F)o1)c1ccc(OC(F)(F)F)cc1 ZINC000057974322 823352025 /nfs/dbraw/zinc/35/20/25/823352025.db2.gz QYBLZNLZQZFZPJ-CQSZACIVSA-N 1 0 397.365 4.457 20 0 GIADRO C[C@H](CCNC(=O)c1c(F)cccc1Br)[N@H+](C)Cc1ccccc1 ZINC000177023799 823352225 /nfs/dbraw/zinc/35/22/25/823352225.db2.gz MHBDBVKCVBWBCF-CQSZACIVSA-N 1 0 393.300 4.229 20 0 GIADRO CN(C)C(=O)Sc1cccc(C[N@@H+]2CC[C@H](COCc3ccccc3)C2)c1 ZINC000177026237 823352817 /nfs/dbraw/zinc/35/28/17/823352817.db2.gz SDJBGBBPSKZBRB-FQEVSTJZSA-N 1 0 384.545 4.499 20 0 GIADRO Cc1cc([C@@H]([NH2+]C2CCN(CC(F)(F)F)CC2)c2cccnc2)ccc1F ZINC000572521604 823353226 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C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O)c1cccc(-c2ccncc2)c1 ZINC000189059466 823350275 /nfs/dbraw/zinc/35/02/75/823350275.db2.gz OFNPDSZGNFAXCI-UZUQRXQVSA-N 1 0 389.474 4.339 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cc(Cl)cc(Cl)c1 ZINC000021321402 818675268 /nfs/dbraw/zinc/67/52/68/818675268.db2.gz NNPPNQXYDRKWDF-UHFFFAOYSA-N 1 0 378.303 4.306 20 0 GIADRO OC[C@]1(Cc2ccc(F)cc2)CC[N@H+](Cc2cnc(-c3ccccc3)s2)C1 ZINC000572558817 823361019 /nfs/dbraw/zinc/36/10/19/823361019.db2.gz OLVAJQSLVFCGDK-QFIPXVFZSA-N 1 0 382.504 4.376 20 0 GIADRO CC(C)OCC[NH+]1CCC(NC(=O)[C@@H](c2cccc(Cl)c2)C(C)C)CC1 ZINC000177037584 823356441 /nfs/dbraw/zinc/35/64/41/823356441.db2.gz PCSUWDSTWVPQCA-HXUWFJFHSA-N 1 0 380.960 4.085 20 0 GIADRO COc1ccc([C@@H](CNC(=O)c2c(C)noc2C(C)C)[NH+]2CCCCC2)cc1 ZINC000021556531 818703921 /nfs/dbraw/zinc/70/39/21/818703921.db2.gz DIWJTRRWAPNQBT-LJQANCHMSA-N 1 0 385.508 4.072 20 0 GIADRO CCn1ncc2ccc(NC(=O)N[C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)cc21 ZINC000177057560 823361068 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380.602 4.398 20 0 GIADRO CN(Cc1noc(-c2ccc(F)cc2F)n1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000189110439 823359039 /nfs/dbraw/zinc/35/90/39/823359039.db2.gz YSCPHJBCTUEUNY-UHFFFAOYSA-N 1 0 398.457 4.111 20 0 GIADRO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]([NH2+]C[C@H]1CCCO1)c1ccccc1 ZINC000021818358 818739150 /nfs/dbraw/zinc/73/91/50/818739150.db2.gz AYBKYFMXMBPLCZ-MSOLQXFVSA-N 1 0 378.394 4.154 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(F)ccc2SCC(F)F)C1 ZINC000177051812 823359789 /nfs/dbraw/zinc/35/97/89/823359789.db2.gz NGZJHXWZQPZOQJ-ZDUSSCGKSA-N 1 0 389.487 4.379 20 0 GIADRO CCCc1noc2nc(CC)cc(C(=O)NC3CC[NH+](C4CCCCC4)CC3)c12 ZINC000409977528 823360366 /nfs/dbraw/zinc/36/03/66/823360366.db2.gz NSTCGXNFTGTRLC-UHFFFAOYSA-N 1 0 398.551 4.265 20 0 GIADRO CCOc1ccc(C(=O)CCC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000021917888 818755784 /nfs/dbraw/zinc/75/57/84/818755784.db2.gz CUOPFIKVZCCUHZ-JOCHJYFZSA-N 1 0 394.515 4.002 20 0 GIADRO Cc1cc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c(C)n1-c1ccc(F)cc1 ZINC000058080838 823360536 /nfs/dbraw/zinc/36/05/36/823360536.db2.gz FCQCMNZPSAXYTK-OAQYLSRUSA-N 1 0 395.478 4.393 20 0 GIADRO COCCOc1ccc(Cl)cc1-c1noc([C@]2(F)CC[N@@H+](C(C)(C)C)C2)n1 ZINC000572567015 823362355 /nfs/dbraw/zinc/36/23/55/823362355.db2.gz JMZXDZMBVWZJLT-IBGZPJMESA-N 1 0 397.878 4.084 20 0 GIADRO COC(=O)c1c(F)ccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1C ZINC000572568051 823362550 /nfs/dbraw/zinc/36/25/50/823362550.db2.gz AEKMPCPCASJEDE-UHFFFAOYSA-N 1 0 384.451 4.159 20 0 GIADRO CCN(Cc1cnc(-c2ccncc2)s1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000572568383 823362711 /nfs/dbraw/zinc/36/27/11/823362711.db2.gz QGENGZZLHXMZTM-HXUWFJFHSA-N 1 0 378.545 4.302 20 0 GIADRO Cc1nc(CCCC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cs1 ZINC000177065682 823362934 /nfs/dbraw/zinc/36/29/34/823362934.db2.gz GGPKHWOVUQVDNW-BEFAXECRSA-N 1 0 377.579 4.035 20 0 GIADRO CN(Cc1ccc(F)cc1)C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000572571172 823363464 /nfs/dbraw/zinc/36/34/64/823363464.db2.gz VUJZZBCXTAQCNJ-OAQYLSRUSA-N 1 0 383.511 4.269 20 0 GIADRO C[N@H+](CCCNC(=O)CCc1ncc(-c2ccccc2F)o1)Cc1ccccc1 ZINC000022276662 818788065 /nfs/dbraw/zinc/78/80/65/818788065.db2.gz JCIJNWQDKFDGSW-UHFFFAOYSA-N 1 0 395.478 4.052 20 0 GIADRO COc1ccc([C@H](CNC(=O)Nc2ccc(N(C)C)c(C)c2)[NH+]2CCCC2)cc1 ZINC000058126094 823363806 /nfs/dbraw/zinc/36/38/06/823363806.db2.gz DIEGKJIVPOODFK-QFIPXVFZSA-N 1 0 396.535 4.028 20 0 GIADRO Cc1sc2nc(CN3CCCC3)nc(NC[C@H](c3ccco3)[NH+](C)C)c2c1C ZINC000022344079 818794479 /nfs/dbraw/zinc/79/44/79/818794479.db2.gz DVSRAUCGTXPTDQ-MRXNPFEDSA-N 1 0 399.564 4.212 20 0 GIADRO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)N[C@@H]1CCCC(F)(F)C1 ZINC000460362810 823364071 /nfs/dbraw/zinc/36/40/71/823364071.db2.gz ZSZKPUCJVLLKTD-RBUKOAKNSA-N 1 0 379.495 4.166 20 0 GIADRO C[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(Oc3ccc(F)cc3)c3ccncc23)C1 ZINC000572575705 823364123 /nfs/dbraw/zinc/36/41/23/823364123.db2.gz HWBZWLGWXCLQOK-OAHLLOKOSA-N 1 0 394.450 4.239 20 0 GIADRO CC(C)[N@@H+](Cc1ccc(NC(=O)[C@H]2O[C@H](C)C[C@@H]2C)cc1)C[C@H]1CCCCO1 ZINC000409998541 823367356 /nfs/dbraw/zinc/36/73/56/823367356.db2.gz MNMFCYLFUOERPS-KKXYHZGYSA-N 1 0 388.552 4.218 20 0 GIADRO C[C@@H](Sc1nc2ccccc2o1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000022455634 818809024 /nfs/dbraw/zinc/80/90/24/818809024.db2.gz ZEASNFQWKRKPKI-MRXNPFEDSA-N 1 0 395.528 4.089 20 0 GIADRO CC(C)C[C@@H](CNC(=O)NCc1ccc2cc[nH]c2n1)[NH2+][C@@H](C)c1ccccc1 ZINC000460366462 823365118 /nfs/dbraw/zinc/36/51/18/823365118.db2.gz RNJRIQOACOTVNJ-UWJYYQICSA-N 1 0 393.535 4.128 20 0 GIADRO O=C(COc1cc(Cl)ccc1Cl)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000022463964 818810573 /nfs/dbraw/zinc/81/05/73/818810573.db2.gz IMMBSEVUDWVUDW-GOSISDBHSA-N 1 0 393.314 4.326 20 0 GIADRO CCOc1ccc([C@H]2CCC[N@@H+]2CCCCN2C(=O)c3ccccc3C2=O)cc1 ZINC000022474562 818812733 /nfs/dbraw/zinc/81/27/33/818812733.db2.gz YKJLABUQGYPEDM-JOCHJYFZSA-N 1 0 392.499 4.299 20 0 GIADRO Brc1ccc(-c2cnc(C[NH+]3CCC([C@@H]4CCCO4)CC3)o2)cc1 ZINC000189148852 823365507 /nfs/dbraw/zinc/36/55/07/823365507.db2.gz WEGRUWSSCPTAMK-KRWDZBQOSA-N 1 0 391.309 4.495 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2csc(-c3ccccc3Cl)n2)[C@H](C)C1 ZINC000122516543 823365746 /nfs/dbraw/zinc/36/57/46/823365746.db2.gz OTJRUSFJTDUEDN-CXAGYDPISA-N 1 0 377.941 4.266 20 0 GIADRO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000572592278 823366389 /nfs/dbraw/zinc/36/63/89/823366389.db2.gz BNQPSHRMPNNYPH-GFOFROLCSA-N 1 0 385.335 4.336 20 0 GIADRO O=C(CC[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1)N1CCc2ccccc2C1 ZINC000189159675 823367499 /nfs/dbraw/zinc/36/74/99/823367499.db2.gz RKKGFKJMMAQQKL-LJQANCHMSA-N 1 0 394.412 4.384 20 0 GIADRO CC(C)[NH+](CCNC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1)C(C)C ZINC000022623055 818835603 /nfs/dbraw/zinc/83/56/03/818835603.db2.gz JQRLGADPVSNPPF-UHFFFAOYSA-N 1 0 388.533 4.035 20 0 GIADRO Cc1nc(-c2ccccc2)c(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)s1 ZINC000022699139 818847421 /nfs/dbraw/zinc/84/74/21/818847421.db2.gz XJGZVCDJJIBUSY-UHFFFAOYSA-N 1 0 391.540 4.467 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)[C@H](C)Sc1ccccc1)c1cccc(OC)c1 ZINC000022700426 818848050 /nfs/dbraw/zinc/84/80/50/818848050.db2.gz WSNJSLOVQMZERC-UWJYYQICSA-N 1 0 386.561 4.375 20 0 GIADRO Cc1cc(C[C@@H](C)[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)n(-c2ccccc2)n1 ZINC000122536508 823368731 /nfs/dbraw/zinc/36/87/31/823368731.db2.gz UPNMXBYOFNSIEN-QGZVFWFLSA-N 1 0 398.551 4.101 20 0 GIADRO COc1cc(C[NH2+]CC(C)C)ccc1OCC(=O)Nc1ccccc1Cl ZINC000022770941 818859046 /nfs/dbraw/zinc/85/90/46/818859046.db2.gz MLFZOHNHEMIMCR-UHFFFAOYSA-N 1 0 376.884 4.112 20 0 GIADRO CCC[N@H+](CC)C[C@H](C)NC(=O)NCc1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000460376684 823368975 /nfs/dbraw/zinc/36/89/75/823368975.db2.gz KUBSODQXUXVLEV-AWEZNQCLSA-N 1 0 392.931 4.223 20 0 GIADRO CNC(=O)c1cccc(C[NH2+]Cc2cn(-c3ccc(C)cc3)nc2C(C)(C)C)c1 ZINC000177090736 823369062 /nfs/dbraw/zinc/36/90/62/823369062.db2.gz STEMZPBEZQBVPC-UHFFFAOYSA-N 1 0 390.531 4.128 20 0 GIADRO CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]CC[C@H]2COc3ccccc3O2)cc1 ZINC000572610922 823369061 /nfs/dbraw/zinc/36/90/61/823369061.db2.gz FUYMFABKAHTUKM-LPHOPBHVSA-N 1 0 383.492 4.097 20 0 GIADRO Cc1ccc(-n2cc(C[NH2+]Cc3ccc(CO)c(F)c3)c(C(C)(C)C)n2)cc1 ZINC000177092110 823369319 /nfs/dbraw/zinc/36/93/19/823369319.db2.gz JITGKPGHAZSOCX-UHFFFAOYSA-N 1 0 381.495 4.399 20 0 GIADRO Brc1ccc2[nH]c(C[N@H+](C[C@H]3CCCO3)C3CCCC3)nc2c1 ZINC000460378869 823369634 /nfs/dbraw/zinc/36/96/34/823369634.db2.gz DFJVHVVAGXXHHW-OAHLLOKOSA-N 1 0 378.314 4.249 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(NC(=O)C3CCCCC3)c2)[C@H](C)C1 ZINC000122541983 823369627 /nfs/dbraw/zinc/36/96/27/823369627.db2.gz GDYWTYYHMPXJQU-UTKZUKDTSA-N 1 0 385.552 4.008 20 0 GIADRO Cc1ccc([C@@H]2CCCCCN2C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)o1 ZINC000572614964 823369844 /nfs/dbraw/zinc/36/98/44/823369844.db2.gz NUDSFOGCCIYPOB-MOPGFXCFSA-N 1 0 376.566 4.249 20 0 GIADRO Cc1[nH]c2ccccc2c1C1=CC[N@H+](CCC(=O)Nc2cc(N)ccc2F)CC1 ZINC000177094479 823370204 /nfs/dbraw/zinc/37/02/04/823370204.db2.gz MXPFPFQZPGTKLK-UHFFFAOYSA-N 1 0 392.478 4.316 20 0 GIADRO Brc1ccc(-c2nc(C[NH+]3CCC([C@H]4CCCO4)CC3)co2)cc1 ZINC000189191573 823373376 /nfs/dbraw/zinc/37/33/76/823373376.db2.gz CHVIZDKAGAJBEP-GOSISDBHSA-N 1 0 391.309 4.495 20 0 GIADRO Cc1oc(-c2ccccc2)nc1CC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000023006975 818887010 /nfs/dbraw/zinc/88/70/10/818887010.db2.gz TYKRQITWUJIDSR-UHFFFAOYSA-N 1 0 389.499 4.105 20 0 GIADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(SC)cc2)CC1 ZINC000023139824 818903837 /nfs/dbraw/zinc/90/38/37/818903837.db2.gz DYIPJPFQLKYVRM-UHFFFAOYSA-N 1 0 389.952 4.456 20 0 GIADRO CCOc1ccccc1C(=O)Nc1cc(Cl)ccc1N1CC[NH+](CC)CC1 ZINC000023139477 818903881 /nfs/dbraw/zinc/90/38/81/818903881.db2.gz LYZUVHGYELEOBR-UHFFFAOYSA-N 1 0 387.911 4.133 20 0 GIADRO COc1cc(Br)ccc1C[NH2+]Cc1cc(F)cc2cccnc21 ZINC000189186750 823372447 /nfs/dbraw/zinc/37/24/47/823372447.db2.gz VZAUBSRUUTWOHK-UHFFFAOYSA-N 1 0 375.241 4.435 20 0 GIADRO Cc1ccccc1NCCC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000058262477 823372604 /nfs/dbraw/zinc/37/26/04/823372604.db2.gz LTANQSSTDHWTBM-HXUWFJFHSA-N 1 0 379.548 4.488 20 0 GIADRO Cc1ccc(-c2nc(CC(=O)N3CCC([NH+]4CCCCC4)CC3)cs2)cc1 ZINC000058268946 823372766 /nfs/dbraw/zinc/37/27/66/823372766.db2.gz ONLUDBXGTGJKMC-UHFFFAOYSA-N 1 0 383.561 4.138 20 0 GIADRO CC(C)=CCSc1ccccc1C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000177111807 823374085 /nfs/dbraw/zinc/37/40/85/823374085.db2.gz OVYKKCZDWVLUCS-UHFFFAOYSA-N 1 0 390.593 4.318 20 0 GIADRO Cn1cc(C[NH+]2CCN(c3nccc4sccc43)CC2)c(-c2ccccc2)n1 ZINC000572647948 823374729 /nfs/dbraw/zinc/37/47/29/823374729.db2.gz IFAPOAHHNJUBRE-UHFFFAOYSA-N 1 0 389.528 4.019 20 0 GIADRO Cc1ccc(C[N@H+](C)C[C@H](O)CO[C@@H](c2ccccc2)c2ccc(C)cc2)o1 ZINC000023408645 818935630 /nfs/dbraw/zinc/93/56/30/818935630.db2.gz LDFMDJSYYCSALJ-UPVQGACJSA-N 1 0 379.500 4.495 20 0 GIADRO CSc1ccccc1[C@@H](C)NC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000410031377 823374829 /nfs/dbraw/zinc/37/48/29/823374829.db2.gz UWOLRBSQKJVJDV-QGZVFWFLSA-N 1 0 398.576 4.351 20 0 GIADRO COc1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)c(Cl)c1OC ZINC000572647096 823374983 /nfs/dbraw/zinc/37/49/83/823374983.db2.gz ZWLKIQXHACNAHR-CEXWTWQISA-N 1 0 387.907 4.362 20 0 GIADRO Cc1cc(Cl)ccc1NC(=O)CN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000572651927 823375571 /nfs/dbraw/zinc/37/55/71/823375571.db2.gz ZNRMTDSGOLROGP-UXHICEINSA-N 1 0 397.950 4.041 20 0 GIADRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cccc3cccnc32)cc1 ZINC000023625839 818967171 /nfs/dbraw/zinc/96/71/71/818967171.db2.gz ZIVMULKJNWAWDF-QGZVFWFLSA-N 1 0 397.544 4.116 20 0 GIADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cccc3cccnc32)cc1 ZINC000023625841 818967270 /nfs/dbraw/zinc/96/72/70/818967270.db2.gz ZIVMULKJNWAWDF-KRWDZBQOSA-N 1 0 397.544 4.116 20 0 GIADRO CC(=O)CCc1ccc(OC[C@H](O)C[NH2+][C@H](C)c2cccc3ccccc32)cc1 ZINC000023676537 818972528 /nfs/dbraw/zinc/97/25/28/818972528.db2.gz FTKGFDUVNAHBDT-DENIHFKCSA-N 1 0 391.511 4.452 20 0 GIADRO O[C@@H](C[NH2+]C(C1CC1)C1CC1)COC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000023679165 818973225 /nfs/dbraw/zinc/97/32/25/818973225.db2.gz XZPVOOFXFVRWDA-NRFANRHFSA-N 1 0 387.470 4.210 20 0 GIADRO CCCC[N@H+](C)CC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccc(OC)cc1 ZINC000023696938 818975261 /nfs/dbraw/zinc/97/52/61/818975261.db2.gz RVNIUUVVVCRNPE-NRFANRHFSA-N 1 0 393.531 4.157 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)c1cc(F)c(F)cc1Cl)[NH+]1CCCC1 ZINC000023713927 818975740 /nfs/dbraw/zinc/97/57/40/818975740.db2.gz CYVLCOYAGLHDLY-GOSISDBHSA-N 1 0 394.849 4.194 20 0 GIADRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1cc(Cl)nc2ccccc21 ZINC000023738931 818977191 /nfs/dbraw/zinc/97/71/91/818977191.db2.gz GADSZKGRTNURQB-HXUWFJFHSA-N 1 0 379.891 4.455 20 0 GIADRO COCc1c2ccccc2oc1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000023737745 818977207 /nfs/dbraw/zinc/97/72/07/818977207.db2.gz AHZCIMNBZIVIGR-FQEVSTJZSA-N 1 0 378.472 4.146 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)N1C[C@H](C)O[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000410039584 823377211 /nfs/dbraw/zinc/37/72/11/823377211.db2.gz TYJNVJOXAQFMNT-WWPVKYPJSA-N 1 0 395.547 4.241 20 0 GIADRO Cc1nc(C)c(-c2csc(NC(=O)[C@H]3CC[N@H+](Cc4ccccc4)C3)n2)s1 ZINC000572660376 823377750 /nfs/dbraw/zinc/37/77/50/823377750.db2.gz FWPRIPPYLPKEFY-INIZCTEOSA-N 1 0 398.557 4.344 20 0 GIADRO CCOc1cc(C(=O)Nc2ccc(C[NH+](C)C)cc2)cc(OCC)c1OCC ZINC000023898892 818991784 /nfs/dbraw/zinc/99/17/84/818991784.db2.gz KXQYYRKCFFUAHD-UHFFFAOYSA-N 1 0 386.492 4.197 20 0 GIADRO CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@H](CC)c1nc(C(F)(F)F)cs1 ZINC000460404052 823378024 /nfs/dbraw/zinc/37/80/24/823378024.db2.gz USBIEQPMKMLQQP-NWDGAFQWSA-N 1 0 380.480 4.033 20 0 GIADRO Cc1nc2cc(C(=O)N(C)[C@H]3CC[N@H+](C)[C@@H](C)C3)ccc2n1Cc1ccsc1 ZINC000410070508 823383865 /nfs/dbraw/zinc/38/38/65/823383865.db2.gz YERYESFXCMWLIU-KXBFYZLASA-N 1 0 396.560 4.009 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(-n2ccnc2)cc1)c1ccccc1Cl ZINC000024049839 819016247 /nfs/dbraw/zinc/01/62/47/819016247.db2.gz HRKPEKRTVZNKAK-OAQYLSRUSA-N 1 0 396.922 4.339 20 0 GIADRO COc1cc(C[NH2+]CC2(N(C)C)CCCC2)ccc1OCc1ccc(F)cc1 ZINC000024081838 819020414 /nfs/dbraw/zinc/02/04/14/819020414.db2.gz ZCISUJUZVAZKQS-UHFFFAOYSA-N 1 0 386.511 4.377 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1cccc(-n2cccn2)c1 ZINC000572677684 823380818 /nfs/dbraw/zinc/38/08/18/823380818.db2.gz UQMSTTHAIDYKRN-IBGZPJMESA-N 1 0 388.515 4.177 20 0 GIADRO CC[C@@H]([NH2+]CC(=O)Nc1ccccc1N1CCCC1=O)c1ccc(Cl)cc1 ZINC000024255587 819039654 /nfs/dbraw/zinc/03/96/54/819039654.db2.gz JPXOUPTXGRZIIW-QGZVFWFLSA-N 1 0 385.895 4.146 20 0 GIADRO COCc1cccc(C(=O)N[C@@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)c1 ZINC000410055990 823381567 /nfs/dbraw/zinc/38/15/67/823381567.db2.gz XLFDPPACXJHXSQ-QFIPXVFZSA-N 1 0 380.532 4.036 20 0 GIADRO CCOCc1ccccc1C[NH2+][C@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000122627123 823384182 /nfs/dbraw/zinc/38/41/82/823384182.db2.gz AWXJRFDOCKRPOR-GOSISDBHSA-N 1 0 379.504 4.386 20 0 GIADRO CC(C)CO[C@H]1CCN(C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)C1 ZINC000177147413 823382626 /nfs/dbraw/zinc/38/26/26/823382626.db2.gz BVCDYHDBNDXWKG-QHCPKHFHSA-N 1 0 380.532 4.206 20 0 GIADRO CCOC1CC(CC[NH2+][C@@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)C1 ZINC000189261208 823382769 /nfs/dbraw/zinc/38/27/69/823382769.db2.gz JVGFBUOADYVHCV-MUYFXNHWSA-N 1 0 379.566 4.259 20 0 GIADRO CC(C)(C)c1nnc(N2CCC[C@H]([NH+]3CCCC3)CC2)n1CCc1ccccc1 ZINC000460421038 823383550 /nfs/dbraw/zinc/38/35/50/823383550.db2.gz HKEWNZMLMDHVIE-NRFANRHFSA-N 1 0 395.595 4.273 20 0 GIADRO Cc1nc(-c2ccncc2)nc(N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1C ZINC000572689783 823383626 /nfs/dbraw/zinc/38/36/26/823383626.db2.gz MCKYEUXHPIHJOR-DHIUTWEWSA-N 1 0 399.542 4.114 20 0 GIADRO CCCOc1ccc(C[NH2+][C@H](C)c2ccc(NS(=O)(=O)CC)cc2)c(C)c1 ZINC000189273319 823384537 /nfs/dbraw/zinc/38/45/37/823384537.db2.gz KSKFGUURNITCQV-QGZVFWFLSA-N 1 0 390.549 4.396 20 0 GIADRO FC(F)Oc1ccc(Br)cc1CN1CCC([NH+]2CCCC2)CC1 ZINC000058396314 823385601 /nfs/dbraw/zinc/38/56/01/823385601.db2.gz BMGBQQIFMGPAFQ-UHFFFAOYSA-N 1 0 389.284 4.111 20 0 GIADRO COc1cc(C[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)ccc1C ZINC000572707576 823386345 /nfs/dbraw/zinc/38/63/45/823386345.db2.gz JIMRZFOBNSTVQE-AUSIDOKSSA-N 1 0 390.487 4.002 20 0 GIADRO N#CCOc1cccc(NC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)c1 ZINC000058424119 823389188 /nfs/dbraw/zinc/38/91/88/823389188.db2.gz GQFXXZPHLZJRQW-UHFFFAOYSA-N 1 0 392.503 4.287 20 0 GIADRO COc1ccc(NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cc1OC1CCCC1 ZINC000058421494 823388651 /nfs/dbraw/zinc/38/86/51/823388651.db2.gz FPZPHPFGFWTJEW-UHFFFAOYSA-N 1 0 389.540 4.355 20 0 GIADRO COc1cccc([C@@H](C)C(=O)N[C@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)c1 ZINC000410101590 823391944 /nfs/dbraw/zinc/39/19/44/823391944.db2.gz KWSSZZPEHLJBBB-WZONZLPQSA-N 1 0 394.559 4.388 20 0 GIADRO CCC[N@@H+]1CC[C@@H](CNC(=O)N(C)[C@H](C)Cc2ccccc2C(F)(F)F)C1 ZINC000572747181 823392218 /nfs/dbraw/zinc/39/22/18/823392218.db2.gz BGAMSMVKNLOZIF-CVEARBPZSA-N 1 0 385.474 4.010 20 0 GIADRO COCCCOC1CC[NH+](Cc2c(-c3ccccc3)nc3ccccn32)CC1 ZINC000122678184 823392761 /nfs/dbraw/zinc/39/27/61/823392761.db2.gz NBYHRYACDOILRZ-UHFFFAOYSA-N 1 0 379.504 4.019 20 0 GIADRO CSc1ccccc1[C@@H](C)NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000410103894 823392827 /nfs/dbraw/zinc/39/28/27/823392827.db2.gz IIEIOWYQYBKVHR-CQSZACIVSA-N 1 0 375.513 4.170 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NCC1CCC(F)(F)CC1 ZINC000410104311 823392901 /nfs/dbraw/zinc/39/29/01/823392901.db2.gz JDQKTMVFLFMUSV-QGZVFWFLSA-N 1 0 379.495 4.118 20 0 GIADRO COc1ccc(C[N@H+](CCCS(=O)(=O)c2ccccc2)C(C)(C)C)cc1 ZINC000572756967 823393393 /nfs/dbraw/zinc/39/33/93/823393393.db2.gz JFQDYOCXZMMMJV-UHFFFAOYSA-N 1 0 375.534 4.160 20 0 GIADRO COC(=O)[C@H](NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)c1ccc(F)cc1 ZINC000572758361 823393470 /nfs/dbraw/zinc/39/34/70/823393470.db2.gz OZUYUZLGINUOMQ-VGOFRKELSA-N 1 0 384.495 4.062 20 0 GIADRO C[C@H](CSc1nnc(Nc2ccc(OC(F)(F)F)cc2)s1)[NH+](C)C ZINC000460438847 823389452 /nfs/dbraw/zinc/38/94/52/823389452.db2.gz VNECHJCORHGFQN-SECBINFHSA-N 1 0 378.445 4.223 20 0 GIADRO O[C@H](C[NH2+]C1(c2nccs2)CCCC1)COc1cc(Cl)ccc1Cl ZINC000177168699 823389645 /nfs/dbraw/zinc/38/96/45/823389645.db2.gz XBYMPBAHHXVIKB-CYBMUJFWSA-N 1 0 387.332 4.249 20 0 GIADRO CC(C)c1c(C(=O)Nc2ccc(C[NH+](C)C)cc2F)cnn1-c1ccccc1 ZINC000572728830 823389715 /nfs/dbraw/zinc/38/97/15/823389715.db2.gz NITVGRPFTIIUTH-UHFFFAOYSA-N 1 0 380.467 4.449 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)Nc1nnc(C(F)F)s1 ZINC000058433522 823391061 /nfs/dbraw/zinc/39/10/61/823391061.db2.gz HKMYNZGSSFUCHP-UHFFFAOYSA-N 1 0 395.479 4.173 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)c2nnc(-c3ccoc3)n2CCc2ccccc2)C[C@@H]1C ZINC000460453311 823394438 /nfs/dbraw/zinc/39/44/38/823394438.db2.gz ILZWTCLJEXDPHK-GHTZIAJQSA-N 1 0 393.535 4.090 20 0 GIADRO CCN(CC)C(=O)c1cccc(NC(=O)C[NH2+]C(C)(C)CCc2ccccc2)c1 ZINC000177185892 823394411 /nfs/dbraw/zinc/39/44/11/823394411.db2.gz UISLAJVAPSVFEU-UHFFFAOYSA-N 1 0 395.547 4.108 20 0 GIADRO Brc1ccc2c(c1)C=C(C[N@@H+]1CCC=C(c3ccncc3)C1)CO2 ZINC000572764237 823394652 /nfs/dbraw/zinc/39/46/52/823394652.db2.gz NARKTIBHUJJAQM-UHFFFAOYSA-N 1 0 383.289 4.409 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)CC[N@@H+]1C ZINC000122685405 823394655 /nfs/dbraw/zinc/39/46/55/823394655.db2.gz WBZNFSKEPZQQPS-TZMCWYRMSA-N 1 0 399.482 4.189 20 0 GIADRO CSc1ccccc1[C@@H](C)NC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000410118458 823396033 /nfs/dbraw/zinc/39/60/33/823396033.db2.gz LEZXZIGKTLQNJV-GOSISDBHSA-N 1 0 383.561 4.387 20 0 GIADRO CSc1nnc(CCC[NH2+]Cc2ccc3nc(C)ccc3c2)n1CC(C)C ZINC000189337747 823396326 /nfs/dbraw/zinc/39/63/26/823396326.db2.gz MMWHDRYADMGJLT-UHFFFAOYSA-N 1 0 383.565 4.235 20 0 GIADRO CC(C)(C[NH2+]Cc1ccccc1OCc1cccnc1)c1ccc2c(c1)OCO2 ZINC000058476034 823397251 /nfs/dbraw/zinc/39/72/51/823397251.db2.gz RELIJDGMXLCVJO-UHFFFAOYSA-N 1 0 390.483 4.457 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)Nc2cc(Cl)ccc2OCC2CCC2)CC[N@@H+]1C ZINC000189341517 823397235 /nfs/dbraw/zinc/39/72/35/823397235.db2.gz RQPZOIXRRUSFKA-RHSMWYFYSA-N 1 0 379.932 4.465 20 0 GIADRO CCS[C@H]1CC[C@H](N(C)C(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000177198551 823397410 /nfs/dbraw/zinc/39/74/10/823397410.db2.gz JVCVDDGEPQYXMP-SFTDATJTSA-N 1 0 389.609 4.009 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](c1ccccc1Cl)N1CCOCC1)c1cccnc1Cl ZINC000122706588 823397801 /nfs/dbraw/zinc/39/78/01/823397801.db2.gz KYCYONAQTIMTPY-KDOFPFPSSA-N 1 0 380.319 4.113 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)c2ccc(F)c(F)c2F)CC[N@@H+]1Cc1ccccc1 ZINC000177223658 823403489 /nfs/dbraw/zinc/40/34/89/823403489.db2.gz SFYDKEXZHGWIJG-GOEBONIOSA-N 1 0 376.422 4.229 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1 ZINC000058491489 823399253 /nfs/dbraw/zinc/39/92/53/823399253.db2.gz SLKYXSJMFRAUJB-UHFFFAOYSA-N 1 0 377.488 4.239 20 0 GIADRO Clc1ccc2c(c1Cl)OCCC[C@@H]2[NH2+]C1CCN(c2cccnn2)CC1 ZINC000572792304 823399378 /nfs/dbraw/zinc/39/93/78/823399378.db2.gz PRQXJZIYCDEHNL-INIZCTEOSA-N 1 0 393.318 4.256 20 0 GIADRO Cc1c(C[NH2+]C[C@H](O)COCc2ccccc2Cl)oc2ccc(F)cc12 ZINC000572792363 823399387 /nfs/dbraw/zinc/39/93/87/823399387.db2.gz DDKDTWZDBQZUON-INIZCTEOSA-N 1 0 377.843 4.201 20 0 GIADRO CC(C)c1ccc(Cn2nccc2NC(=O)NC2CC[NH+](CC3CC3)CC2)cc1 ZINC000189355613 823399758 /nfs/dbraw/zinc/39/97/58/823399758.db2.gz ZPYARGITPJVXBV-UHFFFAOYSA-N 1 0 395.551 4.051 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(-n2cccn2)cc1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000122722038 823400208 /nfs/dbraw/zinc/40/02/08/823400208.db2.gz IUXFAZXIDBXERC-CYFREDJKSA-N 1 0 391.515 4.287 20 0 GIADRO Cc1ccc(Cl)c(O[C@@H](C)C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000410143462 823400966 /nfs/dbraw/zinc/40/09/66/823400966.db2.gz QPMNDADKDKKSQI-RDJZCZTQSA-N 1 0 392.952 4.431 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)c2cccc(-n3nccc3-c3ccccc3)c2)CC[N@@H+]1C ZINC000122725883 823401204 /nfs/dbraw/zinc/40/12/04/823401204.db2.gz CXMZCNJPIOQKPY-GHTZIAJQSA-N 1 0 388.515 4.094 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)c2cccc(-n3nccc3-c3ccccc3)c2)CC[N@@H+]1C ZINC000122726266 823401270 /nfs/dbraw/zinc/40/12/70/823401270.db2.gz CXMZCNJPIOQKPY-RXVVDRJESA-N 1 0 388.515 4.094 20 0 GIADRO C[N@@H+]1CC[C@H](CNC(=O)c2cc3sccc3[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000189363695 823401429 /nfs/dbraw/zinc/40/14/29/823401429.db2.gz CVMCETMXMFZCSO-XIKOKIGWSA-N 1 0 391.899 4.445 20 0 GIADRO Cc1cccc(Cl)c1NC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000122732118 823402140 /nfs/dbraw/zinc/40/21/40/823402140.db2.gz MSYGCPHUVAKAAX-UHFFFAOYSA-N 1 0 379.932 4.005 20 0 GIADRO Cc1ccc([C@H](C)NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1F ZINC000460476558 823402220 /nfs/dbraw/zinc/40/22/20/823402220.db2.gz CATFUOAPOOSJHW-YUXAGFNASA-N 1 0 395.522 4.359 20 0 GIADRO CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000122735638 823402796 /nfs/dbraw/zinc/40/27/96/823402796.db2.gz QVJYDSSXWMOQKP-ROUUACIJSA-N 1 0 389.471 4.059 20 0 GIADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000122735823 823402802 /nfs/dbraw/zinc/40/28/02/823402802.db2.gz QVJYDSSXWMOQKP-QZTJIDSGSA-N 1 0 389.471 4.059 20 0 GIADRO CN1CCC([NH2+]C[C@@H](c2ccc(Cl)cc2)N2CCc3sccc3C2)CC1 ZINC000177220294 823402829 /nfs/dbraw/zinc/40/28/29/823402829.db2.gz ZDTRLRSEDDBONT-FQEVSTJZSA-N 1 0 389.996 4.185 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Nc1ccc2c(c1)OCCO2 ZINC000058519445 823402943 /nfs/dbraw/zinc/40/29/43/823402943.db2.gz WGUBWBLCSCTMCD-QGZVFWFLSA-N 1 0 395.503 4.154 20 0 GIADRO COc1cc(OC)cc(N2CC[C@@H](C[NH2+]Cc3ccc4nc(C)ccc4c3)C2)c1 ZINC000189380354 823404487 /nfs/dbraw/zinc/40/44/87/823404487.db2.gz HTSFDKCOOMEOKX-IBGZPJMESA-N 1 0 391.515 4.177 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)C1(c2ccc(F)cc2)CCC1 ZINC000058531745 823404990 /nfs/dbraw/zinc/40/49/90/823404990.db2.gz FPASMDUMGNSPLH-UHFFFAOYSA-N 1 0 384.470 4.167 20 0 GIADRO Cc1cccc(NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1Cl ZINC000572818089 823405028 /nfs/dbraw/zinc/40/50/28/823405028.db2.gz VTMGKJXGPJCPDK-GOSISDBHSA-N 1 0 387.911 4.061 20 0 GIADRO COc1cccc(COCC(=O)Nc2cccc(-c3ncc4n3CCCC4)c2)c1 ZINC000572821639 823405679 /nfs/dbraw/zinc/40/56/79/823405679.db2.gz XFMBXHGGYGFRCZ-UHFFFAOYSA-N 1 0 391.471 4.050 20 0 GIADRO C[C@@H]([NH2+]CCCS(=O)(=O)Cc1ccccc1)c1ccc(Br)cc1 ZINC000177233758 823406126 /nfs/dbraw/zinc/40/61/26/823406126.db2.gz HOOUZBVBGOXNQU-OAHLLOKOSA-N 1 0 396.350 4.105 20 0 GIADRO Cc1cccc([C@@H]2CCC[N@@H+]2CCc2nc3sc4c(c3c(N)n2)CCCC4)n1 ZINC000572827720 823406408 /nfs/dbraw/zinc/40/64/08/823406408.db2.gz FTPBELHEDHEMCB-KRWDZBQOSA-N 1 0 393.560 4.235 20 0 GIADRO CC[C@H]1CN(c2cc(C(F)F)nc3ccc(Cl)cc32)CC[N@@H+]1C[C@H](C)O ZINC000572828902 823406796 /nfs/dbraw/zinc/40/67/96/823406796.db2.gz BNORBOAMHAPCFO-JSGCOSHPSA-N 1 0 383.870 4.107 20 0 GIADRO CSC1(CNC(=O)N[C@@H](c2cccc(F)c2)C(C)(C)C)CC[NH+](C)CC1 ZINC000460499131 823408983 /nfs/dbraw/zinc/40/89/83/823408983.db2.gz SCESRGHIWGCEKQ-KRWDZBQOSA-N 1 0 381.561 4.040 20 0 GIADRO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NCc1cnc(-c2ccc(Cl)cc2)s1 ZINC000572840241 823408180 /nfs/dbraw/zinc/40/81/80/823408180.db2.gz YVDSLJHKOCOUPZ-SFESLNEESA-N 1 0 375.925 4.000 20 0 GIADRO Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000572839554 823408188 /nfs/dbraw/zinc/40/81/88/823408188.db2.gz SDBHFAULARKQAC-CYBMUJFWSA-N 1 0 395.981 4.295 20 0 GIADRO Cc1ccc(-n2cc(C[NH2+]CC[C@H](C)[S@@](C)=O)c(-c3ccc(F)cc3)n2)cc1 ZINC000572862941 823410853 /nfs/dbraw/zinc/41/08/53/823410853.db2.gz FCZYPPUWJFICHS-YMGMXPECSA-N 1 0 399.535 4.234 20 0 GIADRO Cc1c(NC(=O)c2ccccc2OCC[NH+](C)C)cnn1-c1ccc(Cl)cc1 ZINC000572864154 823411214 /nfs/dbraw/zinc/41/12/14/823411214.db2.gz WAVKPTFQEDAEJR-UHFFFAOYSA-N 1 0 398.894 4.027 20 0 GIADRO Cc1ccc(CNC(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)s1 ZINC000410177584 823411662 /nfs/dbraw/zinc/41/16/62/823411662.db2.gz YOJFNMTVRCHELY-GOSISDBHSA-N 1 0 377.941 4.346 20 0 GIADRO CCN(C(C)=O)c1nc(CS[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cs1 ZINC000572879604 823412923 /nfs/dbraw/zinc/41/29/23/823412923.db2.gz ONUVZCNRNHMZHG-LJQANCHMSA-N 1 0 389.590 4.414 20 0 GIADRO CCCN(CC[NH+]1CCCCCC1)C(=O)c1cc2c(C(F)F)nn(C)c2s1 ZINC000572882373 823413226 /nfs/dbraw/zinc/41/32/26/823413226.db2.gz QKTVRJHLOVDXGC-UHFFFAOYSA-N 1 0 398.523 4.301 20 0 GIADRO CC[N@H+](Cc1ccc(-c2nc(-c3ccnc(OC(F)F)c3)no2)cc1)C1CC1 ZINC000410181892 823413331 /nfs/dbraw/zinc/41/33/31/823413331.db2.gz VHEQLHWOTGPYEA-UHFFFAOYSA-N 1 0 386.402 4.384 20 0 GIADRO O=C(NCc1cc(F)cc(F)c1)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000410169276 823409083 /nfs/dbraw/zinc/40/90/83/823409083.db2.gz DCAZAJRCXIMDDX-LJQANCHMSA-N 1 0 393.865 4.255 20 0 GIADRO C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]Cc1ccnc(N2CCOCC2)c1 ZINC000572857961 823409986 /nfs/dbraw/zinc/40/99/86/823409986.db2.gz UTFZYURGZREOOP-VBKFSLOCSA-N 1 0 391.437 4.130 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1cc(-c2cccs2)on1)c1cccc(OC)c1 ZINC000058590727 823414019 /nfs/dbraw/zinc/41/40/19/823414019.db2.gz CDABAZBFQDIOSI-GOSISDBHSA-N 1 0 399.516 4.225 20 0 GIADRO C[C@@H](Sc1nc2ccccc2s1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000058593738 823414437 /nfs/dbraw/zinc/41/44/37/823414437.db2.gz HSJWWHKVMNZHOS-NVXWUHKLSA-N 1 0 397.569 4.168 20 0 GIADRO CC[NH+](CC)CCOc1ccc(NC(=O)c2ccc(-n3nccc3C)cc2)cc1 ZINC000058626546 823419300 /nfs/dbraw/zinc/41/93/00/823419300.db2.gz WPDZZDBMDDYZRE-UHFFFAOYSA-N 1 0 392.503 4.154 20 0 GIADRO Cc1ccc(CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)s1 ZINC000410203093 823418608 /nfs/dbraw/zinc/41/86/08/823418608.db2.gz QLJYWQWQSNRFNX-KRWDZBQOSA-N 1 0 377.579 4.390 20 0 GIADRO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)N(CCC(F)(F)F)CC1CC1 ZINC000177293748 823423879 /nfs/dbraw/zinc/42/38/79/823423879.db2.gz ILZHODPEGYJVNE-GOSISDBHSA-N 1 0 383.458 4.025 20 0 GIADRO C[C@H]1CCN(C(=O)Nc2ccc3c(c2)C(=O)CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000177295292 823424435 /nfs/dbraw/zinc/42/44/35/823424435.db2.gz AUWPPDWZWAJAGP-SFHVURJKSA-N 1 0 391.515 4.334 20 0 GIADRO Cc1cc(C)c(N2CC[C@H]([NH2+][C@H](C)CC(=O)Nc3ccccc3C)C2=O)c(C)c1 ZINC000189454133 823420285 /nfs/dbraw/zinc/42/02/85/823420285.db2.gz CICGACFDVAXBCI-CTNGQTDRSA-N 1 0 393.531 4.032 20 0 GIADRO CCCCCC(C)(C)C(=O)Nc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000177282841 823420686 /nfs/dbraw/zinc/42/06/86/823420686.db2.gz FRJGIIQEPNRVHL-UHFFFAOYSA-N 1 0 388.556 4.447 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@H]2CC(C)(C)c3ccccc32)cc1 ZINC000189474836 823425012 /nfs/dbraw/zinc/42/50/12/823425012.db2.gz DGSPRIDXVHJIDK-NRFANRHFSA-N 1 0 393.531 4.006 20 0 GIADRO O=C(NCc1ccc(C(F)(F)F)cc1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177300076 823426084 /nfs/dbraw/zinc/42/60/84/823426084.db2.gz MOOVJZYAQINRPA-UHFFFAOYSA-N 1 0 383.458 4.302 20 0 GIADRO Cc1ccc2c(C[NH2+][C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)cc(=O)oc2c1 ZINC000189479656 823426381 /nfs/dbraw/zinc/42/63/81/823426381.db2.gz SGEOYKSZPGJAFA-QZTJIDSGSA-N 1 0 386.492 4.027 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H](CC(C)C)NC(=O)c1ccccc1C ZINC000177301107 823426526 /nfs/dbraw/zinc/42/65/26/823426526.db2.gz QCVGAQBVYIEEDL-QFIPXVFZSA-N 1 0 395.547 4.148 20 0 GIADRO CC(C)(C)OCc1cc(CN[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)no1 ZINC000572959908 823426903 /nfs/dbraw/zinc/42/69/03/823426903.db2.gz IGIVUWHWSKYQIP-IBGZPJMESA-N 1 0 383.536 4.277 20 0 GIADRO O=C(Nc1ccc2c(c1)C(=O)CCC2)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000177305088 823427663 /nfs/dbraw/zinc/42/76/63/823427663.db2.gz ZVZJSTQUQHZIPQ-UHFFFAOYSA-N 1 0 391.515 4.034 20 0 GIADRO COc1ccc2nc(C[NH2+][C@@H](c3cccc(C(F)(F)F)c3)C3CC3)[nH]c2n1 ZINC000572970549 823427981 /nfs/dbraw/zinc/42/79/81/823427981.db2.gz CHVRTCVCZRVOQD-QGZVFWFLSA-N 1 0 376.382 4.226 20 0 GIADRO C[N@@H+]1CC[C@H](CNC(=O)N2CC(C)(C)[C@H]2C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000460548780 823427982 /nfs/dbraw/zinc/42/79/82/823427982.db2.gz DTBMKFTVOCLGLH-ATZDWAIDSA-N 1 0 393.934 4.302 20 0 GIADRO CC[C@H](CNC(=O)N(C)[C@H](CC)c1ccncc1)[N@@H+]1CCc2ccccc2C1 ZINC000122882862 823428288 /nfs/dbraw/zinc/42/82/88/823428288.db2.gz BKCVKKTYVGHBKZ-FGZHOGPDSA-N 1 0 380.536 4.011 20 0 GIADRO COCCCn1nccc1C[NH2+]CC1(c2c(Cl)cccc2Cl)CCC1 ZINC000572977798 823428974 /nfs/dbraw/zinc/42/89/74/823428974.db2.gz JPEJMIYXTXCWPV-UHFFFAOYSA-N 1 0 382.335 4.438 20 0 GIADRO CN(C(=O)Nc1cccc(OCCF)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000122886056 823429063 /nfs/dbraw/zinc/42/90/63/823429063.db2.gz ZKQDRBZRNBDKBX-UHFFFAOYSA-N 1 0 385.483 4.163 20 0 GIADRO c1cc(-c2nc3ccccc3s2)oc1C[N@@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000572985898 823430458 /nfs/dbraw/zinc/43/04/58/823430458.db2.gz UYTJBJNAUKFQFF-KRWDZBQOSA-N 1 0 397.544 4.243 20 0 GIADRO CC(C)(C)OC(=O)N1CC=C(C[NH2+]Cc2cnc(C3CCCC3)s2)CC1 ZINC000189494900 823430538 /nfs/dbraw/zinc/43/05/38/823430538.db2.gz FIVORWAPUJWGPJ-UHFFFAOYSA-N 1 0 377.554 4.458 20 0 GIADRO CCS[C@@H]1CCCC[C@@H]1[NH2+]Cc1csc(CC(=O)Nc2ccccc2)n1 ZINC000189495954 823430768 /nfs/dbraw/zinc/43/07/68/823430768.db2.gz AIQVHZZDWKQKSB-ZWKOTPCHSA-N 1 0 389.590 4.478 20 0 GIADRO CC(C)[C@@H]([NH2+][C@H]1CCCc2cc(S(N)(=O)=O)ccc21)c1ccccc1Cl ZINC000572991066 823431042 /nfs/dbraw/zinc/43/10/42/823431042.db2.gz SGWZSNYXUMTPJG-VQTJNVASSA-N 1 0 392.952 4.352 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H](C)NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000177319484 823431646 /nfs/dbraw/zinc/43/16/46/823431646.db2.gz CXNPYLVTNCECRD-QGZVFWFLSA-N 1 0 395.547 4.111 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]CC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC000189500575 823432065 /nfs/dbraw/zinc/43/20/65/823432065.db2.gz OLQFMBATUHQGCV-UHFFFAOYSA-N 1 0 396.535 4.146 20 0 GIADRO O=C(c1cc(Cl)ccc1Sc1ccc(Cl)cc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000573000221 823432040 /nfs/dbraw/zinc/43/20/40/823432040.db2.gz VOOQYZQOBRRVRV-BETUJISGSA-N 1 0 393.339 4.436 20 0 GIADRO Cc1oc(-c2cccs2)nc1CC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000024590760 819854147 /nfs/dbraw/zinc/85/41/47/819854147.db2.gz ZCRVNYFYVJAQKF-UHFFFAOYSA-N 1 0 395.528 4.035 20 0 GIADRO Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1ccccc1C[NH+](C)C ZINC000024643978 819858702 /nfs/dbraw/zinc/85/87/02/819858702.db2.gz FJLWNTCGHZBTJC-UHFFFAOYSA-N 1 0 383.473 4.216 20 0 GIADRO O=C(Nc1cccc(OC(F)(F)F)c1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000024691245 819865163 /nfs/dbraw/zinc/86/51/63/819865163.db2.gz PUOOBUPVFHJRDI-UHFFFAOYSA-N 1 0 393.409 4.371 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Cc1c(C)[nH]c2ccccc21)c1cccc(OC)c1 ZINC000024693897 819866126 /nfs/dbraw/zinc/86/61/26/819866126.db2.gz QLJLFVMKUUKNCC-HSZRJFAPSA-N 1 0 393.531 4.227 20 0 GIADRO COc1cc2c(cc1OC)[C@@H](c1cccs1)[N@H+](CCc1ccncc1)CC2 ZINC000024786768 819876823 /nfs/dbraw/zinc/87/68/23/819876823.db2.gz DZBHPDDGNSVINZ-QFIPXVFZSA-N 1 0 380.513 4.351 20 0 GIADRO COc1ccc(C[N@H+](C)CCC(=O)Nc2c(Cl)cccc2Cl)cc1OC ZINC000024897513 819890771 /nfs/dbraw/zinc/89/07/71/819890771.db2.gz DEJDMCPCIJGSFH-UHFFFAOYSA-N 1 0 397.302 4.471 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)CC[N@@H+]1C ZINC000177331778 823436083 /nfs/dbraw/zinc/43/60/83/823436083.db2.gz CCRCDSIGAADOQO-UZLBHIALSA-N 1 0 386.540 4.152 20 0 GIADRO CC[NH+](CC)[C@@H](C(=O)N1CCC[C@@H](c2ncc3n2CCCC3)C1)c1ccccc1 ZINC000410256964 823436368 /nfs/dbraw/zinc/43/63/68/823436368.db2.gz PWWINTJJMQYMIJ-IFMALSPDSA-N 1 0 394.563 4.009 20 0 GIADRO COc1ccc(C(=O)Nc2cccc(OCC[NH2+]C3CCC(C)CC3)c2)cc1 ZINC000573032786 823437047 /nfs/dbraw/zinc/43/70/47/823437047.db2.gz YKOVFFOGTPOJFT-UHFFFAOYSA-N 1 0 382.504 4.495 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1nn(-c2ccccc2C)c2c1CCC2 ZINC000177343373 823440489 /nfs/dbraw/zinc/44/04/89/823440489.db2.gz HHVMHSUGCKRLCZ-UHFFFAOYSA-N 1 0 388.515 4.292 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1csc(-c2ccc3c(c2)OCO3)n1 ZINC000177337058 823438742 /nfs/dbraw/zinc/43/87/42/823438742.db2.gz NGBZOIHTSQDLMZ-UHFFFAOYSA-N 1 0 395.484 4.161 20 0 GIADRO CC[NH2+]Cc1cccc(NC(=O)CCC(=O)CCC(=O)c2ccc(C)s2)c1 ZINC000122951076 823438930 /nfs/dbraw/zinc/43/89/30/823438930.db2.gz MJLPDQWZBLKOEG-UHFFFAOYSA-N 1 0 386.517 4.117 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)c2cccc(OCc3cccs3)c2)c1 ZINC000025148113 819935649 /nfs/dbraw/zinc/93/56/49/819935649.db2.gz ZZHBXMWWJSXRLE-UHFFFAOYSA-N 1 0 380.513 4.319 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCSc2ccc(Cl)cc21)C(=O)NC(=O)Nc1ccccc1 ZINC000025217190 819944877 /nfs/dbraw/zinc/94/48/77/819944877.db2.gz CPEGYXHTMMHRNW-MLGOLLRUSA-N 1 0 389.908 4.203 20 0 GIADRO CC[C@H](C)Oc1cc(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)ccc1OC ZINC000122966076 823441200 /nfs/dbraw/zinc/44/12/00/823441200.db2.gz RWVLBPMMUYQOPC-FXAWDEMLSA-N 1 0 377.525 4.033 20 0 GIADRO C/C(=C\c1ccc(Cl)cc1)C(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000122966358 823441218 /nfs/dbraw/zinc/44/12/18/823441218.db2.gz HTBVLDBGIODNOL-ISLYRVAYSA-N 1 0 397.950 4.304 20 0 GIADRO COc1ccc([C@H]2CCCCC[N@@H+]2C[C@@H](O)COCc2cccc(OC)c2)cc1 ZINC000025302195 819958027 /nfs/dbraw/zinc/95/80/27/819958027.db2.gz IAFAESLAPQRSNC-ZJSXRUAMSA-N 1 0 399.531 4.199 20 0 GIADRO C/C=C/c1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)c(OC)c1 ZINC000025308588 819959921 /nfs/dbraw/zinc/95/99/21/819959921.db2.gz DYVNUJTVXMUQII-FEVQIYFRSA-N 1 0 385.479 4.444 20 0 GIADRO O=C(CCc1cccc(OC2CCCC2)c1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000410279405 823446299 /nfs/dbraw/zinc/44/62/99/823446299.db2.gz OWOFWYQYSNHKCK-JOCHJYFZSA-N 1 0 396.531 4.487 20 0 GIADRO COc1ccc2cc([C@H](C)C(=O)NC[C@@H](c3ccsc3)[NH+](C)C)ccc2c1 ZINC000025330546 819964084 /nfs/dbraw/zinc/96/40/84/819964084.db2.gz HOEOWDUDOJSDMK-BTYIYWSLSA-N 1 0 382.529 4.433 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1cc2cc(Br)ccc2[nH]1)c1ccsc1 ZINC000025332370 819964765 /nfs/dbraw/zinc/96/47/65/819964765.db2.gz NBXBMXSRYNMYDD-INIZCTEOSA-N 1 0 392.322 4.025 20 0 GIADRO C[C@H]([NH2+]Cc1cc(Br)ccc1F)c1ccc(-n2cncn2)cc1 ZINC000025364789 819969667 /nfs/dbraw/zinc/96/96/67/819969667.db2.gz SQAQBJDRCNUCDV-LBPRGKRZSA-N 1 0 375.245 4.020 20 0 GIADRO O[C@@H](C[NH2+][C@H](c1ccccc1)c1ccc(OC(F)F)cc1)COc1ccccc1 ZINC000025367229 819970673 /nfs/dbraw/zinc/97/06/73/819970673.db2.gz XPGHOKGDIKIVPQ-SIKLNZKXSA-N 1 0 399.437 4.407 20 0 GIADRO O=C(COc1cc(Cl)ccc1Cl)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000025383705 819973796 /nfs/dbraw/zinc/97/37/96/819973796.db2.gz ZTODVOYEDIDWRQ-HNNXBMFYSA-N 1 0 399.343 4.387 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)CCCc1ccc(Br)s1)c1ccccc1 ZINC000025421647 819978672 /nfs/dbraw/zinc/97/86/72/819978672.db2.gz GDBZIMVBPUQARJ-MRXNPFEDSA-N 1 0 395.366 4.252 20 0 GIADRO Cc1onc(-c2ccccc2)c1C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000025459542 819984975 /nfs/dbraw/zinc/98/49/75/819984975.db2.gz ZMMRVPPPVYQISC-UHFFFAOYSA-N 1 0 389.499 4.217 20 0 GIADRO CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000177352532 823443265 /nfs/dbraw/zinc/44/32/65/823443265.db2.gz MWYBAHGEOATDCW-RDTXWAMCSA-N 1 0 382.932 4.405 20 0 GIADRO CC(C)(CNC(=O)CCc1cc2ccccc2o1)[N@@H+]1CCc2ccccc2C1 ZINC000025463129 819986150 /nfs/dbraw/zinc/98/61/50/819986150.db2.gz NUFKRSLSIFVKFE-UHFFFAOYSA-N 1 0 376.500 4.319 20 0 GIADRO COc1ccc(C(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)c(F)c1 ZINC000025521423 819995148 /nfs/dbraw/zinc/99/51/48/819995148.db2.gz KEXIWVUMKASXBR-UHFFFAOYSA-N 1 0 392.474 4.493 20 0 GIADRO CC[NH2+]Cc1cccc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)(F)F)c1 ZINC000122991326 823444843 /nfs/dbraw/zinc/44/48/43/823444843.db2.gz DRAYRYXZQCCAMG-IAGOWNOFSA-N 1 0 378.394 4.437 20 0 GIADRO C[C@H](CNC(=O)c1ccc(SC(F)F)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000025640427 820010068 /nfs/dbraw/zinc/01/00/68/820010068.db2.gz ICYDWTGVNXQOOV-CQSZACIVSA-N 1 0 376.472 4.178 20 0 GIADRO C/C=C/c1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccc(F)cc2F)c(OC)c1 ZINC000025663963 820012344 /nfs/dbraw/zinc/01/23/44/820012344.db2.gz GRHPQNQYQAPXGN-PCLVQLBSSA-N 1 0 377.431 4.097 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CN[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000025702856 820016046 /nfs/dbraw/zinc/01/60/46/820016046.db2.gz NCCRSPRNEFXNNZ-HNNXBMFYSA-N 1 0 398.576 4.294 20 0 GIADRO CCS[C@@H]1CC[C@H](N(C)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000122996578 823445773 /nfs/dbraw/zinc/44/57/73/823445773.db2.gz ANDLYMJIRHXPKT-VQTJNVASSA-N 1 0 375.582 4.098 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1)c1ccsc1 ZINC000025812553 820027507 /nfs/dbraw/zinc/02/75/07/820027507.db2.gz GXSSHBOXONWSPC-QGZVFWFLSA-N 1 0 389.521 4.128 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)/C=C/c1ccc2ccc(Cl)cc2n1)c1ccsc1 ZINC000025816266 820028311 /nfs/dbraw/zinc/02/83/11/820028311.db2.gz XGNSBBQMGVVXQZ-UCFODXPJSA-N 1 0 385.920 4.382 20 0 GIADRO CCOc1ccc(CCC2CC[NH+](CC(=O)NCc3cccs3)CC2)cc1 ZINC000025824002 820029047 /nfs/dbraw/zinc/02/90/47/820029047.db2.gz WIBFXIXSTDKLLI-UHFFFAOYSA-N 1 0 386.561 4.108 20 0 GIADRO O=C(NCc1sccc1Br)c1ccc(C[NH+]2CCCC2)cc1 ZINC000058766260 823447192 /nfs/dbraw/zinc/44/71/92/823447192.db2.gz CXJYJPXFBOTJRN-UHFFFAOYSA-N 1 0 379.323 4.036 20 0 GIADRO CC(=O)c1cccc(OC[C@@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)c1 ZINC000025865837 820032309 /nfs/dbraw/zinc/03/23/09/820032309.db2.gz ZUNZXYSXTCCQTF-DEOSSOPVSA-N 1 0 389.495 4.331 20 0 GIADRO FC(F)C(F)(F)COCC[N@@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000189576992 823449094 /nfs/dbraw/zinc/44/90/94/823449094.db2.gz LALQFBGOFAJNKG-GFCCVEGCSA-N 1 0 380.451 4.118 20 0 GIADRO O=C(C[N@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1)N1CCc2ccccc2C1 ZINC000026100382 820057293 /nfs/dbraw/zinc/05/72/93/820057293.db2.gz UKUUAOXIXVNNGO-RUZDIDTESA-N 1 0 382.507 4.219 20 0 GIADRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)N(Cc2cccc(O)c2)CC2CC2)[C@H](C(F)(F)F)C1 ZINC000573113455 823449410 /nfs/dbraw/zinc/44/94/10/823449410.db2.gz LDPBOCROQMLNFE-QZTJIDSGSA-N 1 0 398.469 4.040 20 0 GIADRO COc1cccc(C[NH2+]Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)c1OC ZINC000189577327 823449378 /nfs/dbraw/zinc/44/93/78/823449378.db2.gz QUANWMVGAIIKED-UHFFFAOYSA-N 1 0 398.503 4.244 20 0 GIADRO C[C@@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(Br)cc1 ZINC000026180501 820067545 /nfs/dbraw/zinc/06/75/45/820067545.db2.gz CJYZUKKEMAFHKB-GFCCVEGCSA-N 1 0 382.346 4.119 20 0 GIADRO C[C@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(Br)cc1 ZINC000026180506 820067613 /nfs/dbraw/zinc/06/76/13/820067613.db2.gz CJYZUKKEMAFHKB-LBPRGKRZSA-N 1 0 382.346 4.119 20 0 GIADRO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccc(-n2cccn2)cc1)Nc1ccccc1 ZINC000026180863 820067653 /nfs/dbraw/zinc/06/76/53/820067653.db2.gz RUBBDBBZTFUMHF-QFIPXVFZSA-N 1 0 389.503 4.049 20 0 GIADRO COc1cccc([C@H](CNC(=O)c2sc(-c3ccccc3)nc2C)[NH+](C)C)c1 ZINC000026244922 820074040 /nfs/dbraw/zinc/07/40/40/820074040.db2.gz YYPIMHRVHHUOMS-IBGZPJMESA-N 1 0 395.528 4.160 20 0 GIADRO CCCOc1ccccc1NC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000410288728 823450781 /nfs/dbraw/zinc/45/07/81/823450781.db2.gz NKGTXHINFVIRJX-UHFFFAOYSA-N 1 0 381.520 4.304 20 0 GIADRO C[C@H](CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C)c1c[nH]c2ccccc21 ZINC000573128135 823450853 /nfs/dbraw/zinc/45/08/53/823450853.db2.gz CETIQRGVMWAOAL-FGSXEWAUSA-N 1 0 375.516 4.441 20 0 GIADRO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000026299791 820078968 /nfs/dbraw/zinc/07/89/68/820078968.db2.gz BKERJZWFULBRNM-HNNXBMFYSA-N 1 0 398.894 4.275 20 0 GIADRO C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@H](C)c1ccc(NC(N)=O)cc1 ZINC000123033793 823451089 /nfs/dbraw/zinc/45/10/89/823451089.db2.gz IWLVXWVKLVZACX-ZIAGYGMSSA-N 1 0 377.435 4.451 20 0 GIADRO C[NH+](C)CCCNCc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000026303129 820080464 /nfs/dbraw/zinc/08/04/64/820080464.db2.gz NBRJIWZZGOTHQW-UHFFFAOYSA-N 1 0 380.319 4.287 20 0 GIADRO Clc1cc(C[NH2+]C[C@@H](c2cccs2)N2CCCC2)cc2c1OCCCO2 ZINC000026310752 820080941 /nfs/dbraw/zinc/08/09/41/820080941.db2.gz CCAHBYOVIGALRY-KRWDZBQOSA-N 1 0 392.952 4.490 20 0 GIADRO CC(C)[C@H](CNC(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000410310988 823459755 /nfs/dbraw/zinc/45/97/55/823459755.db2.gz QCWFGEWYDFGGJO-DEOSSOPVSA-N 1 0 393.575 4.433 20 0 GIADRO Cc1nc2ccccn2c(=O)c1CC[NH2+]C(C)(c1ccccc1)c1ccccc1 ZINC000573142176 823454515 /nfs/dbraw/zinc/45/45/15/823454515.db2.gz JJTRBOUIQNCJRX-UHFFFAOYSA-N 1 0 383.495 4.099 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CCc1cc2ccccc2o1 ZINC000026620653 820123536 /nfs/dbraw/zinc/12/35/36/820123536.db2.gz YSSLJFBMKWPJLN-UHFFFAOYSA-N 1 0 377.488 4.064 20 0 GIADRO Fc1cccc(Nc2nn(CN3CC[NH+](C4CCCC4)CC3)c(=S)s2)c1 ZINC000026628659 820125625 /nfs/dbraw/zinc/12/56/25/820125625.db2.gz FFXZIHXHHCYTEF-UHFFFAOYSA-N 1 0 393.557 4.074 20 0 GIADRO CCCN(C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000573145025 823454988 /nfs/dbraw/zinc/45/49/88/823454988.db2.gz KHDNEBBLGNKXGF-GXRSIYKFSA-N 1 0 399.579 4.059 20 0 GIADRO CC(C)Cn1c(-c2ccccc2F)nnc1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000460609108 823455106 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GIADRO O[C@@H](CN1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1)c1ccccc1F ZINC000026914357 820163764 /nfs/dbraw/zinc/16/37/64/820163764.db2.gz VJNSBQMSBZEJAC-FQEVSTJZSA-N 1 0 396.428 4.086 20 0 GIADRO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]C[C@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000189608992 823457592 /nfs/dbraw/zinc/45/75/92/823457592.db2.gz CEIAYEJBKAHCKM-KXBFYZLASA-N 1 0 399.432 4.201 20 0 GIADRO O=C(c1ccc(C[NH+]2CCSCC2)cc1)N1CC[C@H](c2ccccc2F)C1 ZINC000410305837 823457726 /nfs/dbraw/zinc/45/77/26/823457726.db2.gz YWKRBUQHRNIHRE-IBGZPJMESA-N 1 0 384.520 4.004 20 0 GIADRO O=C(NC1CC[NH+](Cc2cnc(-c3ccccc3)s2)CC1)c1ccccc1 ZINC000123076282 823457915 /nfs/dbraw/zinc/45/79/15/823457915.db2.gz CRHVRASBQOCNDT-UHFFFAOYSA-N 1 0 377.513 4.205 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)N2CCC[C@H]2c2cccc(N(C)C)c2)c1 ZINC000573164207 823458035 /nfs/dbraw/zinc/45/80/35/823458035.db2.gz KTWMUCKYZPDSKZ-QHCPKHFHSA-N 1 0 394.563 4.251 20 0 GIADRO Cc1ccc(SCCNC(=O)NC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000410311486 823459650 /nfs/dbraw/zinc/45/96/50/823459650.db2.gz DYECZQIOWISVEB-UHFFFAOYSA-N 1 0 397.588 4.093 20 0 GIADRO COc1cc(C[N@@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)cc(OC)c1O ZINC000573166893 823458618 /nfs/dbraw/zinc/45/86/18/823458618.db2.gz KZWRHRRLENZBHJ-AWEZNQCLSA-N 1 0 398.286 4.370 20 0 GIADRO COC(=O)c1cc(C[NH2+][C@H](Cc2ccc(F)cc2)c2ccc(OC)cc2)cn1C ZINC000573166934 823458685 /nfs/dbraw/zinc/45/86/85/823458685.db2.gz NBXPWEVNEHGLOA-OAQYLSRUSA-N 1 0 396.462 4.033 20 0 GIADRO CC(=O)Nc1c(C)ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1C ZINC000058821063 823458987 /nfs/dbraw/zinc/45/89/87/823458987.db2.gz BDMVRYFELWFNLA-HXUWFJFHSA-N 1 0 379.504 4.113 20 0 GIADRO O[C@@]1(C[NH2+]Cc2cnc(-c3cccs3)s2)CCC[C@H](C(F)(F)F)C1 ZINC000189619484 823460056 /nfs/dbraw/zinc/46/00/56/823460056.db2.gz ARAFATFAPKEGSA-NHYWBVRUSA-N 1 0 376.469 4.445 20 0 GIADRO Cc1nn(C)c(C)c1[C@H](C)C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000058827194 823460031 /nfs/dbraw/zinc/46/00/31/823460031.db2.gz PQVKAUGCGDLMIS-KRWDZBQOSA-N 1 0 396.579 4.221 20 0 GIADRO CC[C@H](C[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1)N1CCc2ccccc2C1 ZINC000123090180 823460540 /nfs/dbraw/zinc/46/05/40/823460540.db2.gz UJTVYSIPXGPPIJ-XMSQKQJNSA-N 1 0 393.531 4.131 20 0 GIADRO C[C@H]([NH2+][C@H]1CCCCc2ccccc21)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000177430133 823460624 /nfs/dbraw/zinc/46/06/24/823460624.db2.gz IQZXCLQWVHEIFD-SBUREZEXSA-N 1 0 378.516 4.462 20 0 GIADRO Cc1cccc(Oc2ccc(NC(=O)CN3CC[NH+](C4CCCC4)CC3)cc2)c1 ZINC000027119009 820195780 /nfs/dbraw/zinc/19/57/80/820195780.db2.gz ICTCHBKEVVPEQD-UHFFFAOYSA-N 1 0 393.531 4.286 20 0 GIADRO O[C@@]1(C[NH2+]Cc2ccccc2OCc2ccccn2)CCC[C@H](C(F)(F)F)C1 ZINC000189621796 823460746 /nfs/dbraw/zinc/46/07/46/823460746.db2.gz FOHPKBMHGGCIMR-PXNSSMCTSA-N 1 0 394.437 4.234 20 0 GIADRO COc1ccc(CCC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)cc1Cl ZINC000058879871 823465402 /nfs/dbraw/zinc/46/54/02/823465402.db2.gz SAGIIOGALMDQOI-UHFFFAOYSA-N 1 0 392.971 4.396 20 0 GIADRO COc1cccc([C@@H](CNC(=O)Nc2ccc(OC(F)(F)F)cc2)[NH+](C)C)c1 ZINC000058844051 823461736 /nfs/dbraw/zinc/46/17/36/823461736.db2.gz PRTOMQZCZZDGDZ-QGZVFWFLSA-N 1 0 397.397 4.018 20 0 GIADRO c1c(C[NH2+]C[C@H]2Cc3ccccc3O2)c(-c2cccnc2)nn1-c1ccccc1 ZINC000027220376 820211439 /nfs/dbraw/zinc/21/14/39/820211439.db2.gz GXNIOPWYABAFJI-JOCHJYFZSA-N 1 0 382.467 4.028 20 0 GIADRO CC[C@@H](C[NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1)N1CCc2ccccc2C1 ZINC000123098831 823462084 /nfs/dbraw/zinc/46/20/84/823462084.db2.gz BIXHKACOYLDXQH-GCJKJVERSA-N 1 0 393.531 4.131 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1csc(-c2ccccc2OC)n1)c1ccco1 ZINC000058878009 823465061 /nfs/dbraw/zinc/46/50/61/823465061.db2.gz IEAIQPLXTKNAGL-QGZVFWFLSA-N 1 0 399.516 4.225 20 0 GIADRO CC(C)(C)n1nc(C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)cc1C1CC1 ZINC000058879138 823465071 /nfs/dbraw/zinc/46/50/71/823465071.db2.gz QAWRMLWCEUJGDV-UHFFFAOYSA-N 1 0 386.584 4.244 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)Cc1ccc(O)cc1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000123101590 823462362 /nfs/dbraw/zinc/46/23/62/823462362.db2.gz JOVJVUIJYGURFC-DLBZAZTESA-N 1 0 387.545 4.390 20 0 GIADRO CCCCOc1ccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1OC ZINC000027334011 820225944 /nfs/dbraw/zinc/22/59/44/820225944.db2.gz WXOJBKOWDXLQDX-GOSISDBHSA-N 1 0 386.492 4.034 20 0 GIADRO COc1cccc([C@H](CNC(=O)c2oc3ccccc3c2C)[NH+]2CCCC2)c1 ZINC000027340264 820227188 /nfs/dbraw/zinc/22/71/88/820227188.db2.gz UNUHPJGYSZHEPA-FQEVSTJZSA-N 1 0 378.472 4.317 20 0 GIADRO COc1cccc([C@H](CNC(=O)CCCOc2ccc(C)cc2)[NH+]2CCCC2)c1 ZINC000027340918 820227559 /nfs/dbraw/zinc/22/75/59/820227559.db2.gz MAMMPAMNCKAOAG-QHCPKHFHSA-N 1 0 396.531 4.116 20 0 GIADRO CCc1ccc(CCC(=O)NC[C@@H](c2cccc(OC)c2)[NH+]2CCCC2)cc1 ZINC000027341165 820227653 /nfs/dbraw/zinc/22/76/53/820227653.db2.gz JKEHYLCOYLUHFM-QHCPKHFHSA-N 1 0 380.532 4.144 20 0 GIADRO CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000027349513 820229202 /nfs/dbraw/zinc/22/92/02/820229202.db2.gz RYNVWHDUUSEXES-SFHVURJKSA-N 1 0 378.419 4.146 20 0 GIADRO COc1cc(C2(C(=O)NC3CC[NH+](C4CCCC4)CC3)CCCC2)ccc1C ZINC000177442809 823462895 /nfs/dbraw/zinc/46/28/95/823462895.db2.gz NKGRCBZDDJVPNN-UHFFFAOYSA-N 1 0 384.564 4.339 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)NC[C@@H](O)c1ccc(F)cc1)C1CCCCC1 ZINC000058859241 823463024 /nfs/dbraw/zinc/46/30/24/823463024.db2.gz FRVFXAPJHSBDLY-JOCHJYFZSA-N 1 0 399.510 4.445 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCN(C(C)(C)C)C1=O)c1cc2cc(Br)ccc2o1 ZINC000573206027 823465168 /nfs/dbraw/zinc/46/51/68/823465168.db2.gz OJBUHVHGVBDQHI-RISCZKNCSA-N 1 0 379.298 4.245 20 0 GIADRO Cc1[nH]c2ccc(C(=O)N3CCC[N@H+](Cc4ccccc4C)CC3)cc2c1C ZINC000027387338 820237277 /nfs/dbraw/zinc/23/72/77/820237277.db2.gz KMXILRKNPIFDEQ-UHFFFAOYSA-N 1 0 375.516 4.441 20 0 GIADRO COC(=O)[C@@H]1CCC[C@H](c2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)C1 ZINC000177445776 823463412 /nfs/dbraw/zinc/46/34/12/823463412.db2.gz JLSLTJRZTVNJFX-RBUKOAKNSA-N 1 0 383.492 4.169 20 0 GIADRO CC(C)c1cc(C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)nn1C(C)(C)C ZINC000058879121 823465231 /nfs/dbraw/zinc/46/52/31/823465231.db2.gz HPTYTAVOYGXBPI-UHFFFAOYSA-N 1 0 388.600 4.490 20 0 GIADRO O=C(CCOc1ccccc1Cl)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000058879649 823465416 /nfs/dbraw/zinc/46/54/16/823465416.db2.gz YFFLLZVHLOZISS-UHFFFAOYSA-N 1 0 378.944 4.224 20 0 GIADRO CC(C)[NH+]1CCN(CC(=O)Nc2c(Cl)c(Cl)cc(Cl)c2Cl)CC1 ZINC000027419383 820242132 /nfs/dbraw/zinc/24/21/32/820242132.db2.gz LTWZWTJSODCBGO-UHFFFAOYSA-N 1 0 399.149 4.265 20 0 GIADRO c1ccc(C2(c3nc(-c4ccc(C[NH+]5CCCC5)cc4)no3)CCOCC2)cc1 ZINC000573196478 823464163 /nfs/dbraw/zinc/46/41/63/823464163.db2.gz YOIYHWVILQCNRS-UHFFFAOYSA-N 1 0 389.499 4.429 20 0 GIADRO COc1ccc(C(=O)C(C(=S)N[C@@H]2CCCC[C@@H]2C)[n+]2cccc(C)c2)cc1 ZINC000027487660 820252051 /nfs/dbraw/zinc/25/20/51/820252051.db2.gz PKZZPVWLCXWQHY-FXAWDEMLSA-O 1 0 397.564 4.398 20 0 GIADRO Cc1nc(-c2c[nH]c(C(=O)NC[C@H](c3cccs3)[NH+]3CCCC3)c2)cs1 ZINC000027606691 820266792 /nfs/dbraw/zinc/26/67/92/820266792.db2.gz LECOVFJORPRBKT-QGZVFWFLSA-N 1 0 386.546 4.075 20 0 GIADRO Cc1cc(OCC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)ccc1Cl ZINC000058881541 823466045 /nfs/dbraw/zinc/46/60/45/823466045.db2.gz VWDBDOZUPNZQQM-UHFFFAOYSA-N 1 0 378.944 4.142 20 0 GIADRO O=C(Cc1cccc(C(F)(F)F)c1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000058881852 823466049 /nfs/dbraw/zinc/46/60/49/823466049.db2.gz ZHBJOPLFFPBJTP-UHFFFAOYSA-N 1 0 382.470 4.363 20 0 GIADRO COCCSc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(CC(C)(C)C)C2=O)cc1 ZINC000460648467 823466218 /nfs/dbraw/zinc/46/62/18/823466218.db2.gz LQGNDEHBXLTXNY-VQIMIIECSA-N 1 0 378.582 4.113 20 0 GIADRO Cc1cc(OCCCC(=O)NC[C@@H](c2cccs2)[NH+](C)C)ccc1Cl ZINC000027676195 820273460 /nfs/dbraw/zinc/27/34/60/820273460.db2.gz YMFGUIUQVFQFDF-KRWDZBQOSA-N 1 0 380.941 4.288 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)COC(c1ccccc1)c1ccccc1)c1cccs1 ZINC000027676787 820273543 /nfs/dbraw/zinc/27/35/43/820273543.db2.gz NFWQQFRZXXQAFU-HXUWFJFHSA-N 1 0 394.540 4.273 20 0 GIADRO CC1(C)[C@@H]([NH2+]C2CCC(C(=O)N3CCSCC3)CC2)C[C@H]1c1ccccc1 ZINC000123126875 823466528 /nfs/dbraw/zinc/46/65/28/823466528.db2.gz UAWFIOWKWDIHKH-JSRAGOMMSA-N 1 0 386.605 4.293 20 0 GIADRO CC(C)(C)OC(=O)N1CC[C@H](C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)C1 ZINC000177457520 823466892 /nfs/dbraw/zinc/46/68/92/823466892.db2.gz VETPQQAHLGCEQA-QRVBRYPASA-N 1 0 392.540 4.205 20 0 GIADRO Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000027756153 820282795 /nfs/dbraw/zinc/28/27/95/820282795.db2.gz JQXSHLCOEOTYRA-CYBMUJFWSA-N 1 0 377.941 4.376 20 0 GIADRO Cc1nc(CSc2ccccc2C(=O)N[C@@H](C)C[NH+]2CCCCC2)cs1 ZINC000027760837 820283332 /nfs/dbraw/zinc/28/33/32/820283332.db2.gz REVIZXJUNTYOTN-HNNXBMFYSA-N 1 0 389.590 4.348 20 0 GIADRO C[C@H](C[NH+]1CCCCC1)NC(=O)COc1cc(Cl)c(Cl)cc1Cl ZINC000027770691 820284911 /nfs/dbraw/zinc/28/49/11/820284911.db2.gz IMADWQJCLAUQSI-LLVKDONJSA-N 1 0 379.715 4.016 20 0 GIADRO CCCOc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(CC(C)(C)C)C2=O)cc1OC ZINC000460653036 823467551 /nfs/dbraw/zinc/46/75/51/823467551.db2.gz YHCQSPVJTNTKHP-SJLPKXTDSA-N 1 0 376.541 4.172 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@H]2CCCN(CC(C)(C)C)C2=O)ccc1OC(C)C ZINC000460654028 823467899 /nfs/dbraw/zinc/46/78/99/823467899.db2.gz BVNJERBKZSWKGA-AEFFLSMTSA-N 1 0 376.541 4.170 20 0 GIADRO Cc1cccc(C2(C(=O)NC3CC[NH+](CCc4ccccc4)CC3)CCC2)c1 ZINC000027934727 820298911 /nfs/dbraw/zinc/29/89/11/820298911.db2.gz ANZJYMQICDLWIH-UHFFFAOYSA-N 1 0 376.544 4.240 20 0 GIADRO CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000177475482 823471367 /nfs/dbraw/zinc/47/13/67/823471367.db2.gz DRMBXPAFYJIVDZ-NRFANRHFSA-N 1 0 399.510 4.072 20 0 GIADRO OC[C@@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1ccc(-c2ccncc2)cc1F ZINC000123137816 823468266 /nfs/dbraw/zinc/46/82/66/823468266.db2.gz ADZFMBZWLHUTSO-HXUWFJFHSA-N 1 0 375.447 4.062 20 0 GIADRO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(F)cc2Cl)CC1 ZINC000028005957 820304011 /nfs/dbraw/zinc/30/40/11/820304011.db2.gz IMKZKQONYCTTMU-UHFFFAOYSA-N 1 0 382.266 4.137 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000028068918 820309120 /nfs/dbraw/zinc/30/91/20/820309120.db2.gz YCGYMYJHVRINFX-UHFFFAOYSA-N 1 0 375.513 4.109 20 0 GIADRO CC1CC[NH+](CCCNC(=O)Cc2csc(-c3ccccc3Cl)n2)CC1 ZINC000028068827 820309303 /nfs/dbraw/zinc/30/93/03/820309303.db2.gz LVUXZCNIXRJMMY-UHFFFAOYSA-N 1 0 391.968 4.244 20 0 GIADRO Cc1ccccc1COc1ccccc1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000058907482 823469020 /nfs/dbraw/zinc/46/90/20/823469020.db2.gz OVDBQDCBNLZRKP-UHFFFAOYSA-N 1 0 378.516 4.274 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(CCc3ccccc3)CC2)c1 ZINC000028120613 820312267 /nfs/dbraw/zinc/31/22/67/820312267.db2.gz ANPSQCRULFRBBO-GOSISDBHSA-N 1 0 393.531 4.317 20 0 GIADRO CC(C)OCCCNC(=O)C1CC[NH+]([C@@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000189659612 823469296 /nfs/dbraw/zinc/46/92/96/823469296.db2.gz TXXHYMMMKPYWFB-VWNXMTODSA-N 1 0 386.580 4.140 20 0 GIADRO Cc1cccc(COc2cccc(C(=O)N3CCC([NH+]4CCCC4)CC3)c2)c1 ZINC000058908105 823469300 /nfs/dbraw/zinc/46/93/00/823469300.db2.gz WZNCNJMXNFMKLW-UHFFFAOYSA-N 1 0 378.516 4.274 20 0 GIADRO C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@H](C)c1nnc2n1CCCCC2 ZINC000573240217 823469502 /nfs/dbraw/zinc/46/95/02/823469502.db2.gz NCXCMOOVYMWZMN-CHWSQXEVSA-N 1 0 395.320 4.188 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)Nc2ccc3c(c2)CCO3)cc1 ZINC000410347949 823469772 /nfs/dbraw/zinc/46/97/72/823469772.db2.gz SPYCSBZCVWEXOI-KRWDZBQOSA-N 1 0 379.504 4.318 20 0 GIADRO [NH3+]CCCCC(=O)Nc1nnc(SCc2c(Cl)cccc2Cl)s1 ZINC000573246082 823469859 /nfs/dbraw/zinc/46/98/59/823469859.db2.gz PZUGMPSNTBFWNW-UHFFFAOYSA-N 1 0 391.349 4.205 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc3ccccc3c2)c1 ZINC000028336843 820326133 /nfs/dbraw/zinc/32/61/33/820326133.db2.gz LPXFXCYRWAGAAC-CVEARBPZSA-N 1 0 375.472 4.476 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1ccccc1Cl ZINC000028349304 820327999 /nfs/dbraw/zinc/32/79/99/820327999.db2.gz IVSOXPVIQGISKF-ZIAGYGMSSA-N 1 0 385.895 4.366 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1)C(=O)NCc1ccccc1Cl ZINC000028350451 820328320 /nfs/dbraw/zinc/32/83/20/820328320.db2.gz BOVNFIBHXGENFD-LSDHHAIUSA-N 1 0 399.922 4.044 20 0 GIADRO CCOc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1 ZINC000028350728 820328866 /nfs/dbraw/zinc/32/88/66/820328866.db2.gz VDRZKOOYVHSLMZ-HZPDHXFCSA-N 1 0 395.503 4.112 20 0 GIADRO COc1cccc(NC(=O)[C@H]([NH2+]CCOc2ccccc2)c2ccccc2)c1 ZINC000028375280 820330357 /nfs/dbraw/zinc/33/03/57/820330357.db2.gz UGUMWYRHTKWMSB-JOCHJYFZSA-N 1 0 376.456 4.044 20 0 GIADRO O=C(NCc1ccc(F)cc1)C1CC[NH+](CCCCCOc2ccccc2)CC1 ZINC000189670536 823471624 /nfs/dbraw/zinc/47/16/24/823471624.db2.gz FUCQFEVYAXXPBQ-UHFFFAOYSA-N 1 0 398.522 4.403 20 0 GIADRO COc1ccc(OC)c(C[N@H+](Cc2cc(OC)c(O)c(OC)c2)C(C)(C)C)c1 ZINC000573248403 823470501 /nfs/dbraw/zinc/47/05/01/823470501.db2.gz QYPNXDKQBGDOHO-UHFFFAOYSA-N 1 0 389.492 4.227 20 0 GIADRO CC(C)(C)CN1CCC[C@@H]([NH2+]CC2(c3ccccc3Cl)CCOCC2)C1=O ZINC000460663246 823470710 /nfs/dbraw/zinc/47/07/10/823470710.db2.gz JOUJPIDTXLMICG-LJQANCHMSA-N 1 0 392.971 4.015 20 0 GIADRO C[NH+](C)CCOc1ccc(CNC(=O)C2(c3cccc(Cl)c3)CCC2)cc1 ZINC000058921440 823470809 /nfs/dbraw/zinc/47/08/09/823470809.db2.gz OJPPRCSZYUPGPM-UHFFFAOYSA-N 1 0 386.923 4.019 20 0 GIADRO O=C(c1ccc(Cl)cc1)N1CCC[N@H+](CCc2ccccc2Cl)CC1 ZINC000058922387 823470825 /nfs/dbraw/zinc/47/08/25/823470825.db2.gz ZZUDTRPFKDNKBS-UHFFFAOYSA-N 1 0 377.315 4.384 20 0 GIADRO O=C(NCCc1cccs1)C1CC[NH+](CCc2ccccc2Cl)CC1 ZINC000058932149 823471946 /nfs/dbraw/zinc/47/19/46/823471946.db2.gz IDCIKVSPNOUIST-UHFFFAOYSA-N 1 0 376.953 4.015 20 0 GIADRO Cc1nc(-c2ccc(CC[NH2+][C@@H](C(=O)NC3CC3)c3ccccc3)s2)cs1 ZINC000028623171 820346353 /nfs/dbraw/zinc/34/63/53/820346353.db2.gz WGAMCRKOJWRYNJ-HXUWFJFHSA-N 1 0 397.569 4.332 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1c(F)c(F)cc(F)c1F ZINC000177482335 823472716 /nfs/dbraw/zinc/47/27/16/823472716.db2.gz YVGSDNTYGIYDCX-UHFFFAOYSA-N 1 0 380.385 4.159 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)CCC(=O)c2cc(C)sc2C)cc1 ZINC000028715183 820353021 /nfs/dbraw/zinc/35/30/21/820353021.db2.gz RJXDCCMGCPWKJF-UHFFFAOYSA-N 1 0 386.561 4.486 20 0 GIADRO Cc1cccc2oc(CC[NH2+][C@@H](C)CC(=O)N(C)Cc3cccc(Cl)c3)nc21 ZINC000410358183 823473016 /nfs/dbraw/zinc/47/30/16/823473016.db2.gz IAKDRWGBCZJLMB-INIZCTEOSA-N 1 0 399.922 4.359 20 0 GIADRO COc1ccc([C@@H](NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)c2ccco2)cc1 ZINC000573266114 823473200 /nfs/dbraw/zinc/47/32/00/823473200.db2.gz UEYKPMOYXTYGKK-NZQKXSOJSA-N 1 0 390.483 4.016 20 0 GIADRO C[C@@H]1C[N@@H+](CCC2CCN(Cc3ncc(-c4cccs4)o3)CC2)C[C@H](C)O1 ZINC000177484247 823473500 /nfs/dbraw/zinc/47/35/00/823473500.db2.gz LMFBUTSKFRMANC-CALCHBBNSA-N 1 0 389.565 4.114 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cc(Cl)ccc1Br ZINC000028837611 820362201 /nfs/dbraw/zinc/36/22/01/820362201.db2.gz LTDCOFXBWFDSNW-HNNXBMFYSA-N 1 0 397.700 4.262 20 0 GIADRO O=C(CC[N@@H+]1CCc2ccccc2C1)N[C@@H](c1cccs1)c1ccccc1 ZINC000028842572 820363231 /nfs/dbraw/zinc/36/32/31/820363231.db2.gz SAUDLHPYQSIJCK-HSZRJFAPSA-N 1 0 376.525 4.402 20 0 GIADRO CC[C@@H]1c2ccsc2CCN1C(=O)C[NH+]1CCC(OCC2CCCC2)CC1 ZINC000177485570 823473736 /nfs/dbraw/zinc/47/37/36/823473736.db2.gz GBOPRVXWLUHWEB-HXUWFJFHSA-N 1 0 390.593 4.255 20 0 GIADRO Cc1ccc(OCCN(C)C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)cc1 ZINC000410359288 823473724 /nfs/dbraw/zinc/47/37/24/823473724.db2.gz LAGBBNULJSAHLE-UHFFFAOYSA-N 1 0 383.536 4.056 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Cl)cn1)c1ccc(Br)cc1 ZINC000028878189 820365866 /nfs/dbraw/zinc/36/58/66/820365866.db2.gz XKOGJBYXJFXKJA-MNOVXSKESA-N 1 0 382.689 4.175 20 0 GIADRO COc1ccc(OCC[N@H+](C)CCC(=O)Nc2c(Cl)cccc2Cl)cc1 ZINC000028897244 820369497 /nfs/dbraw/zinc/36/94/97/820369497.db2.gz WMTBQHJWIVQMFW-UHFFFAOYSA-N 1 0 397.302 4.341 20 0 GIADRO 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 823474251 /nfs/dbraw/zinc/47/42/51/823474251.db2.gz ZBNWZFTZDXFLCI-QMTHXVAHSA-N 1 0 382.348 4.279 20 0 GIADRO COc1cc2c(cc1C[NH2+]Cc1cccc(NC(=O)C3CCC3)c1)O[C@H](C)C2 ZINC000028926990 820374657 /nfs/dbraw/zinc/37/46/57/820374657.db2.gz VWFHWKNXCPZGAJ-OAHLLOKOSA-N 1 0 380.488 4.047 20 0 GIADRO Cc1c([C@H](C)[NH2+]CCc2nc3c(cccc3C)o2)nnn1-c1ccc(C)cc1 ZINC000410364082 823475073 /nfs/dbraw/zinc/47/50/73/823475073.db2.gz XUUGEYQJSKPQRG-INIZCTEOSA-N 1 0 375.476 4.227 20 0 GIADRO COCCOc1ccc([C@H](C)[NH2+]CCc2nc3c(cccc3C)o2)cc1OC ZINC000410364174 823475106 /nfs/dbraw/zinc/47/51/06/823475106.db2.gz YINMWWXVODRIJB-INIZCTEOSA-N 1 0 384.476 4.063 20 0 GIADRO CSc1cccc(NC(=O)NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)c1 ZINC000410364391 823475503 /nfs/dbraw/zinc/47/55/03/823475503.db2.gz AFSKMLOCLMXJFZ-IRXDYDNUSA-N 1 0 399.560 4.339 20 0 GIADRO C[C@H]1C[NH+](CCCNC(=O)c2ccccc2Sc2ccccc2)C[C@H](C)O1 ZINC000460676320 823475512 /nfs/dbraw/zinc/47/55/12/823475512.db2.gz IFQFMHRLRZKSIG-ROUUACIJSA-N 1 0 384.545 4.067 20 0 GIADRO CCOC(=O)Nc1ccc(C(=O)NC[C@H](c2ccccc2)[NH+](CC)CC)cc1 ZINC000029167054 820404090 /nfs/dbraw/zinc/40/40/90/820404090.db2.gz AYUJAMIYSPTQCC-HXUWFJFHSA-N 1 0 383.492 4.068 20 0 GIADRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)Nc1cnn([C@@H](C)C2CC2)c1 ZINC000189697694 823478475 /nfs/dbraw/zinc/47/84/75/823478475.db2.gz AFAOEKBVOTVGAJ-SFHVURJKSA-N 1 0 383.540 4.230 20 0 GIADRO C[C@@H]1C[NH+](CCC2CCN(Cc3csc(-c4ccco4)n3)CC2)C[C@@H](C)O1 ZINC000177505436 823479071 /nfs/dbraw/zinc/47/90/71/823479071.db2.gz OBFSITVWJHMCRF-IAGOWNOFSA-N 1 0 389.565 4.114 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)Nc3ccc4c(c3)OCCO4)cc2)C1 ZINC000410372950 823479260 /nfs/dbraw/zinc/47/92/60/823479260.db2.gz WNKRUNFBWNCTPB-KRWDZBQOSA-N 1 0 395.503 4.011 20 0 GIADRO CC(C)CCC(=O)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000029364335 820443792 /nfs/dbraw/zinc/44/37/92/820443792.db2.gz LWULWZSIFJQATR-UHFFFAOYSA-N 1 0 379.548 4.061 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CSc1ccccc1Cl ZINC000029369420 820444990 /nfs/dbraw/zinc/44/49/90/820444990.db2.gz MNSAAWUAYSHCPT-UHFFFAOYSA-N 1 0 389.952 4.131 20 0 GIADRO CSc1ccccc1NC(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000410375076 823479970 /nfs/dbraw/zinc/47/99/70/823479970.db2.gz ZJCOGLOCNDKQTA-IRXDYDNUSA-N 1 0 399.560 4.339 20 0 GIADRO CSc1ccc(NC(=O)NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)cc1 ZINC000410375947 823480393 /nfs/dbraw/zinc/48/03/93/823480393.db2.gz QPDWKFCPLIHONR-IAGOWNOFSA-N 1 0 399.560 4.339 20 0 GIADRO COc1ccc2cc(CN(C)C(=O)C[N@H+](C)[C@H]3CCc4ccccc43)ccc2c1 ZINC000029488086 820462673 /nfs/dbraw/zinc/46/26/73/820462673.db2.gz FRFBREAVGVENTM-DEOSSOPVSA-N 1 0 388.511 4.426 20 0 GIADRO c1ccc(COc2ccc(C3([NH2+]CC[C@H]4CCCO4)CCOCC3)cc2)cc1 ZINC000189714891 823480848 /nfs/dbraw/zinc/48/08/48/823480848.db2.gz MYXQJEVZIZQEEC-JOCHJYFZSA-N 1 0 381.516 4.430 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)CCc3nc4ccccc4o3)C2)s1 ZINC000573330356 823480850 /nfs/dbraw/zinc/48/08/50/823480850.db2.gz PXSDVUPOWAAQJO-QGZVFWFLSA-N 1 0 397.544 4.111 20 0 GIADRO O=c1oc2cc(Br)ccc2n1C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000029499527 820463886 /nfs/dbraw/zinc/46/38/86/820463886.db2.gz HMMNUEZUIIDDQA-ZDUSSCGKSA-N 1 0 379.279 4.213 20 0 GIADRO CCC(=O)c1ccc(C(=O)NC[C@@H](c2ccc(OC(C)C)cc2)N(C)C)cc1 ZINC000573356776 823483624 /nfs/dbraw/zinc/48/36/24/823483624.db2.gz SQVCHXQJTNRFPC-NRFANRHFSA-N 1 0 382.504 4.099 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCC[C@@H]3c3cccn3C)cc2)C1 ZINC000410380665 823481757 /nfs/dbraw/zinc/48/17/57/823481757.db2.gz HRBPJFUETQAQGC-WMZHIEFXSA-N 1 0 394.563 4.304 20 0 GIADRO CC[C@](C)(O)C[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccccc1 ZINC000189720186 823481797 /nfs/dbraw/zinc/48/17/97/823481797.db2.gz SFGOUWDFOJXYTG-FQEVSTJZSA-N 1 0 394.437 4.307 20 0 GIADRO CC(C)CCNC(=O)[C@@H](C)[NH2+]C[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000029569791 820477803 /nfs/dbraw/zinc/47/78/03/820477803.db2.gz IBHYIDHAXAKGSE-NQIIRXRSSA-N 1 0 377.532 4.440 20 0 GIADRO COc1cccc(-c2noc([C@@]34CCC[C@@H]3C[N@H+](Cc3ccccc3)C4)n2)c1 ZINC000573352981 823483478 /nfs/dbraw/zinc/48/34/78/823483478.db2.gz PDUXKXHPKHPEIW-AUSIDOKSSA-N 1 0 375.472 4.299 20 0 GIADRO Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000573351831 823482914 /nfs/dbraw/zinc/48/29/14/823482914.db2.gz ZDFAPSUUBFSBBN-AWEZNQCLSA-N 1 0 394.302 4.267 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)NC[C@H]1CC[C@H](c2ccccc2)O1 ZINC000573356614 823483787 /nfs/dbraw/zinc/48/37/87/823483787.db2.gz SRPLFRSPUCNDMT-DHIUTWEWSA-N 1 0 393.531 4.002 20 0 GIADRO Cc1cc(C)cc(C(=O)NCC(=O)Nc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)c1 ZINC000059023839 823483901 /nfs/dbraw/zinc/48/39/01/823483901.db2.gz MYODGFJKDISRCM-LJQANCHMSA-N 1 0 393.531 4.046 20 0 GIADRO COc1ccc([C@@H](CNC(=O)CCc2ccc(C)cc2C)[NH+]2CCCC2)cc1 ZINC000029688726 820497971 /nfs/dbraw/zinc/49/79/71/820497971.db2.gz QDLISPUWZRVTKE-HSZRJFAPSA-N 1 0 380.532 4.198 20 0 GIADRO Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000410407772 823489354 /nfs/dbraw/zinc/48/93/54/823489354.db2.gz MCXZWAWEOVUNCI-FQEVSTJZSA-N 1 0 399.535 4.041 20 0 GIADRO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1cc(-c2ccc(F)cc2)no1 ZINC000029705028 820501755 /nfs/dbraw/zinc/50/17/55/820501755.db2.gz RAMXVMYWWAAAGH-HNNXBMFYSA-N 1 0 377.423 4.254 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@H+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000177533092 823484246 /nfs/dbraw/zinc/48/42/46/823484246.db2.gz IYNDVJFQZZMTSP-PGRDOPGGSA-N 1 0 388.515 4.306 20 0 GIADRO O=C(NCc1ccccc1)C1CC[NH+](Cc2cc(-c3ccc(F)cc3)no2)CC1 ZINC000029706335 820502455 /nfs/dbraw/zinc/50/24/55/820502455.db2.gz AXPQKPPUCMNPFT-UHFFFAOYSA-N 1 0 393.462 4.009 20 0 GIADRO CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+](Cc2ccc(C(C)C)cc2)C2CC2)cc1 ZINC000029706577 820502635 /nfs/dbraw/zinc/50/26/35/820502635.db2.gz OWEDOHNWZMZSGA-QHCPKHFHSA-N 1 0 396.531 4.173 20 0 GIADRO C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000573361182 823484395 /nfs/dbraw/zinc/48/43/95/823484395.db2.gz RJUATOGZZZQLOF-HTAPYJJXSA-N 1 0 379.504 4.359 20 0 GIADRO CC1(C)CC[C@@H](C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)O1 ZINC000189736082 823484499 /nfs/dbraw/zinc/48/44/99/823484499.db2.gz MAECLABGOKOJFV-NRFANRHFSA-N 1 0 376.504 4.041 20 0 GIADRO O=C(NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1)NCC(F)(F)F ZINC000029727611 820507160 /nfs/dbraw/zinc/50/71/60/820507160.db2.gz WZWJTUNLRFEILS-UHFFFAOYSA-N 1 0 391.437 4.311 20 0 GIADRO COc1ccc(C(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)c(F)c1 ZINC000059057299 823484947 /nfs/dbraw/zinc/48/49/47/823484947.db2.gz SDUPEARUMQEFIF-IAGOWNOFSA-N 1 0 384.495 4.242 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)Nc1ccc(Cl)c(F)c1)[NH+]1CCCC1 ZINC000059059549 823485237 /nfs/dbraw/zinc/48/52/37/823485237.db2.gz CRGWIKWUNHBLBA-GOSISDBHSA-N 1 0 391.874 4.446 20 0 GIADRO CC(C)(C)c1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1Cc1ccccc1 ZINC000573379182 823486411 /nfs/dbraw/zinc/48/64/11/823486411.db2.gz UMDRWTQZIMGBIZ-UHFFFAOYSA-N 1 0 381.568 4.079 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(-c3nc(C(C)C)no3)cc2)C1 ZINC000177544827 823487169 /nfs/dbraw/zinc/48/71/69/823487169.db2.gz FKBBYRVSWZXCIA-MRXNPFEDSA-N 1 0 385.512 4.056 20 0 GIADRO CC[C@@H](CNC(=O)CCc1c[nH]c2ccccc12)[N@@H+]1CCc2ccccc2C1 ZINC000029908997 820545925 /nfs/dbraw/zinc/54/59/25/820545925.db2.gz GDTQVHPSVYCUDY-NRFANRHFSA-N 1 0 375.516 4.054 20 0 GIADRO CC[C@@H](CNC(=O)CSCc1ccc(F)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000029908204 820546167 /nfs/dbraw/zinc/54/61/67/820546167.db2.gz ROUPRCHUXYABMP-NRFANRHFSA-N 1 0 386.536 4.012 20 0 GIADRO COc1cc(Cl)c(NC(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)cc1C ZINC000573402518 823488439 /nfs/dbraw/zinc/48/84/39/823488439.db2.gz HUGCJWTXLHAASP-AUUYWEPGSA-N 1 0 375.900 4.470 20 0 GIADRO COc1cc(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)ccc1OC(C)C ZINC000189784018 823493766 /nfs/dbraw/zinc/49/37/66/823493766.db2.gz AKBIZJFRSRYGBR-GHTZIAJQSA-N 1 0 383.492 4.049 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Nc1cnn([C@@H](C)C2CC2)c1)c1ccsc1 ZINC000189785332 823494107 /nfs/dbraw/zinc/49/41/07/823494107.db2.gz XSRHALHUDUNAAM-KBXCAEBGSA-N 1 0 375.542 4.120 20 0 GIADRO Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000123310291 823494566 /nfs/dbraw/zinc/49/45/66/823494566.db2.gz KNFMSQGADCWEMJ-KRWDZBQOSA-N 1 0 388.581 4.409 20 0 GIADRO CSc1ccccc1NC(=O)CC[N@H+](C)CCCOc1ccc(F)cc1 ZINC000030268729 820593315 /nfs/dbraw/zinc/59/33/15/820593315.db2.gz GDHQKLIBDQHQBE-UHFFFAOYSA-N 1 0 376.497 4.277 20 0 GIADRO O[C@](C[NH2+]Cc1cnc(-c2cccs2)s1)(c1ccccc1)C(F)(F)F ZINC000177575806 823494867 /nfs/dbraw/zinc/49/48/67/823494867.db2.gz BZAZYELJZACGOR-MRXNPFEDSA-N 1 0 384.448 4.411 20 0 GIADRO CC[C@H]([NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1)c1ccccc1OCC(=O)N(C)C ZINC000573411080 823490085 /nfs/dbraw/zinc/49/00/85/823490085.db2.gz UZLZBMVCMBQBQT-HJNYFJLDSA-N 1 0 396.531 4.115 20 0 GIADRO C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1Cc1csc(-c2ccc(C(N)=O)cc2)n1 ZINC000177558430 823490506 /nfs/dbraw/zinc/49/05/06/823490506.db2.gz QVLXDYIWNGIXOZ-FOIQADDNSA-N 1 0 377.513 4.287 20 0 GIADRO CC[C@@H](CNC(=O)N1CCC[C@@H]1c1cccs1)[N@@H+]1CCc2ccccc2C1 ZINC000059308495 823490892 /nfs/dbraw/zinc/49/08/92/823490892.db2.gz ZEPCYMLZJYYRNK-VQTJNVASSA-N 1 0 383.561 4.432 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1nc(C(F)(F)F)cs1)CC3 ZINC000123289308 823491054 /nfs/dbraw/zinc/49/10/54/823491054.db2.gz YXMOVZYCVRREHP-SNVBAGLBSA-N 1 0 381.423 4.299 20 0 GIADRO C[C@H]([NH2+]C[C@@H](c1ccccc1)C(C)(C)CO)c1ccc(Br)cn1 ZINC000573418826 823491277 /nfs/dbraw/zinc/49/12/77/823491277.db2.gz RVPPFKGVHZESEO-YOEHRIQHSA-N 1 0 377.326 4.297 20 0 GIADRO Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000030508708 820626775 /nfs/dbraw/zinc/62/67/75/820626775.db2.gz RIJXVVSCZPBNHI-QGZVFWFLSA-N 1 0 386.923 4.313 20 0 GIADRO COc1ccc2ccccc2c1CN(C(=O)N[C@@H]1CC[C@H](C[NH3+])C1)C1CCCC1 ZINC000573429794 823492198 /nfs/dbraw/zinc/49/21/98/823492198.db2.gz AAFOWEJKWDZWDP-PKOBYXMFSA-N 1 0 395.547 4.430 20 0 GIADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)c2ccc3ccccc3c2)c1 ZINC000573432614 823492675 /nfs/dbraw/zinc/49/26/75/823492675.db2.gz XDCFWCWKNHWEGX-UHFFFAOYSA-N 1 0 375.472 4.372 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)C2(c3cccc(Br)c3)CCCC2)CC[N@@H+]1C ZINC000123315011 823495201 /nfs/dbraw/zinc/49/52/01/823495201.db2.gz BJULKXJYIYDLTI-QAPCUYQASA-N 1 0 393.369 4.202 20 0 GIADRO O=C(CCCc1c[nH]c2ccccc12)NCc1ccccc1C[NH+]1CCCC1 ZINC000030555726 820639774 /nfs/dbraw/zinc/63/97/74/820639774.db2.gz QSZSNOQLKHZRSV-UHFFFAOYSA-N 1 0 375.516 4.403 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1 ZINC000030557011 820640287 /nfs/dbraw/zinc/64/02/87/820640287.db2.gz QJAMDILGOOGZSA-UHFFFAOYSA-N 1 0 390.531 4.425 20 0 GIADRO Cc1cc(C)c(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)c(C)c1 ZINC000123297864 823492789 /nfs/dbraw/zinc/49/27/89/823492789.db2.gz PYSYIJFIDFYIRZ-PMACEKPBSA-N 1 0 395.547 4.126 20 0 GIADRO CC(C)C[C@@H](C)C[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000410421861 823492811 /nfs/dbraw/zinc/49/28/11/823492811.db2.gz NMXQNDWEVRBJGT-CQSZACIVSA-N 1 0 382.346 4.177 20 0 GIADRO Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000573464987 823493005 /nfs/dbraw/zinc/49/30/05/823493005.db2.gz JWSPWNBMCLQDEW-DENIHFKCSA-N 1 0 383.561 4.125 20 0 GIADRO COc1cc(C[NH2+]C[C@@H](c2ccsc2)N(C)C)ccc1OCc1ccncc1 ZINC000030630672 820653579 /nfs/dbraw/zinc/65/35/79/820653579.db2.gz KHKGBKQQWRHJLB-FQEVSTJZSA-N 1 0 397.544 4.123 20 0 GIADRO CN(CC[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1)c1ccccc1 ZINC000030633786 820654949 /nfs/dbraw/zinc/65/49/49/820654949.db2.gz SKWCYRLLLXWIFO-UHFFFAOYSA-N 1 0 383.499 4.160 20 0 GIADRO O=C(c1ccoc1)N1CCC([NH2+]Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000030668783 820662220 /nfs/dbraw/zinc/66/22/20/820662220.db2.gz SKGPZVKWVLRJSL-UHFFFAOYSA-N 1 0 390.483 4.253 20 0 GIADRO COc1cc(C[NH2+]C2CCN(C(=O)C(C)C)CC2)ccc1OCc1ccccc1 ZINC000030671037 820662664 /nfs/dbraw/zinc/66/26/64/820662664.db2.gz HBQYVVVSMZLOHK-UHFFFAOYSA-N 1 0 396.531 4.011 20 0 GIADRO COc1cc(CCC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)ccc1Cl ZINC000123350858 823500330 /nfs/dbraw/zinc/50/03/30/823500330.db2.gz IIRZYGXRFFMEED-MJGOQNOKSA-N 1 0 392.971 4.394 20 0 GIADRO C[NH+](C)C1(CNC(=O)c2cc(Cl)ccc2Br)CCCCCC1 ZINC000030765615 820679073 /nfs/dbraw/zinc/67/90/73/820679073.db2.gz SYIGDWZGATZJMI-UHFFFAOYSA-N 1 0 387.749 4.487 20 0 GIADRO CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000059699974 823497197 /nfs/dbraw/zinc/49/71/97/823497197.db2.gz TUMOLHJBTFJFLD-MSOLQXFVSA-N 1 0 397.437 4.367 20 0 GIADRO CO[C@H](Cc1ccccc1)C(=O)N(c1cccc(SC)c1)C1CC[NH+](C)CC1 ZINC000410469386 823498041 /nfs/dbraw/zinc/49/80/41/823498041.db2.gz NJGPZRPXFGNIFT-JOCHJYFZSA-N 1 0 398.572 4.093 20 0 GIADRO CSc1cccc(N(C(=O)c2c(C)onc2C2CC2)C2CC[NH+](C)CC2)c1 ZINC000410470585 823498123 /nfs/dbraw/zinc/49/81/23/823498123.db2.gz PNIGCNWEUIRVEW-UHFFFAOYSA-N 1 0 385.533 4.323 20 0 GIADRO CCCN(CC(=O)Nc1ccccc1C)C(=O)c1ccc(C[NH+](CC)CC)cc1 ZINC000030885098 820700867 /nfs/dbraw/zinc/70/08/67/820700867.db2.gz GBSAVDZSEZYJMA-UHFFFAOYSA-N 1 0 395.547 4.328 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)c1ccc2ccccc2n1)[NH+]1CCCCC1 ZINC000059782517 823498494 /nfs/dbraw/zinc/49/84/94/823498494.db2.gz MNGCUBCEHBQAMH-QFIPXVFZSA-N 1 0 389.499 4.200 20 0 GIADRO COc1cc(C[NH2+][C@H]2CCCc3c2cnn3C)ccc1OCc1ccccc1 ZINC000030908625 820706542 /nfs/dbraw/zinc/70/65/42/820706542.db2.gz UWKLHXVODJIJBM-FQEVSTJZSA-N 1 0 377.488 4.175 20 0 GIADRO CCOC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(C)C ZINC000189810137 823499230 /nfs/dbraw/zinc/49/92/30/823499230.db2.gz VMDMGHSADGKGNV-ABAIWWIYSA-N 1 0 380.838 4.337 20 0 GIADRO CS(=O)(=O)Cc1ccccc1C[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000177602936 823499382 /nfs/dbraw/zinc/49/93/82/823499382.db2.gz YBQKDODQPKHAKV-QFIPXVFZSA-N 1 0 383.488 4.250 20 0 GIADRO Cc1nc2c(s1)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)N3C(=O)OC(C)(C)C)CCC2 ZINC000123346446 823499828 /nfs/dbraw/zinc/49/98/28/823499828.db2.gz MMNAWLMPACKWOY-BTFYYFJDSA-N 1 0 377.554 4.349 20 0 GIADRO CC[C@H](NC(=O)N(C)C1CC[NH+](C2CCC(C)CC2)CC1)c1c(C)noc1C ZINC000123347593 823500052 /nfs/dbraw/zinc/50/00/52/823500052.db2.gz CSOOMFKRKFVEOL-OAAAQFAESA-N 1 0 390.572 4.427 20 0 GIADRO O=C(NCc1ccc(F)cc1)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000031092642 820739087 /nfs/dbraw/zinc/73/90/87/820739087.db2.gz SENOOSXBOPVUDR-IBGZPJMESA-N 1 0 375.875 4.115 20 0 GIADRO O=C(Nc1cccc(NC(=O)C2CC2)c1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000031136623 820750024 /nfs/dbraw/zinc/75/00/24/820750024.db2.gz KPVOCAHHFOXLHT-UHFFFAOYSA-N 1 0 377.488 4.273 20 0 GIADRO CC(C)Oc1cccc(CNC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000059852740 823500733 /nfs/dbraw/zinc/50/07/33/823500733.db2.gz SORIWAIOCZXYCX-LJQANCHMSA-N 1 0 387.549 4.172 20 0 GIADRO Cc1ccc(CCNC(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)o1 ZINC000031201220 820767618 /nfs/dbraw/zinc/76/76/18/820767618.db2.gz LPMIKVJONLRJPI-UHFFFAOYSA-N 1 0 391.515 4.359 20 0 GIADRO C[N@H+](CCCNC(=O)c1cc2c(cccc2OC(F)F)[nH]1)Cc1ccccc1 ZINC000031219952 820773026 /nfs/dbraw/zinc/77/30/26/820773026.db2.gz CXKZKGLVHOKYKU-UHFFFAOYSA-N 1 0 387.430 4.021 20 0 GIADRO COc1ccc(CN(C(=O)C[N@@H+]2CCC[C@@H]2c2cccc(OC)c2)C2CC2)cc1 ZINC000123366564 823502152 /nfs/dbraw/zinc/50/21/52/823502152.db2.gz HFHQOBSHGWDDNS-HSZRJFAPSA-N 1 0 394.515 4.032 20 0 GIADRO Cc1ccc2cc(C[NH+]3CCC(C(=O)NCCc4cccs4)CC3)ccc2n1 ZINC000189824367 823502507 /nfs/dbraw/zinc/50/25/07/823502507.db2.gz PMDPDHVRGDWSAB-UHFFFAOYSA-N 1 0 393.556 4.176 20 0 GIADRO Brc1cccc(-c2nc(C[NH2+][C@@H]3C[C@H]4OCCC[C@H]34)cs2)c1 ZINC000190356239 823565672 /nfs/dbraw/zinc/56/56/72/823565672.db2.gz CNBCCINOCQADPD-BZUAXINKSA-N 1 0 379.323 4.230 20 0 GIADRO c1cc(COc2ccc(C[NH+]3CCC(OC[C@@H]4CCCCO4)CC3)cc2)ccn1 ZINC000177619834 823502753 /nfs/dbraw/zinc/50/27/53/823502753.db2.gz ACWVVWVRAKKQHB-DEOSSOPVSA-N 1 0 396.531 4.211 20 0 GIADRO COCCOc1ccc([C@H](C)[NH2+]Cc2cc3cc(OC)ccc3o2)cc1OC ZINC000123373967 823502782 /nfs/dbraw/zinc/50/27/82/823502782.db2.gz XXLAKUTXGXUGRW-HNNXBMFYSA-N 1 0 385.460 4.326 20 0 GIADRO C[C@H](NC(=O)c1cccc(C[NH+]2CCCC2)c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000059936440 823503569 /nfs/dbraw/zinc/50/35/69/823503569.db2.gz XOZTUYNMFRROCI-KRWDZBQOSA-N 1 0 391.515 4.122 20 0 GIADRO Cc1ccc(-n2ncc(C(=O)NC[C@@H]3CCC[N@@H+](C(C)C)C3)c2C(C)C)cc1 ZINC000060207124 823511756 /nfs/dbraw/zinc/51/17/56/823511756.db2.gz GBZYHGYMHSBEKT-IBGZPJMESA-N 1 0 382.552 4.154 20 0 GIADRO CN(C(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F)c1cccc2ncccc21 ZINC000410624473 823506943 /nfs/dbraw/zinc/50/69/43/823506943.db2.gz LRADSGCBSNAKCQ-HUUCEWRRSA-N 1 0 379.426 4.106 20 0 GIADRO COc1ccc2sc(C(=O)NC[C@H](Cc3ccccc3)[NH+](C)C)c(C)c2c1 ZINC000460785695 823511854 /nfs/dbraw/zinc/51/18/54/823511854.db2.gz YEHMIUGQBXNRJG-KRWDZBQOSA-N 1 0 382.529 4.121 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)[C@H](NC(=O)c2cccc(C)c2)C(C)C)c1 ZINC000031531709 820821897 /nfs/dbraw/zinc/82/18/97/820821897.db2.gz NQWYWDPBUHZOHR-JOCHJYFZSA-N 1 0 395.547 4.230 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)CC[C@@H]2Cc3ccccc3NC2=O)c1 ZINC000031531677 820821921 /nfs/dbraw/zinc/82/19/21/820821921.db2.gz BJVIEZRIRYHKPM-LJQANCHMSA-N 1 0 379.504 4.058 20 0 GIADRO Cc1nc2cc(F)ccc2cc1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000031544643 820823392 /nfs/dbraw/zinc/82/33/92/820823392.db2.gz HLOBYXHADYWQLV-FQEVSTJZSA-N 1 0 377.463 4.077 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H](c1nc(C2CC2)no1)C(C)C)CC3 ZINC000123423270 823507782 /nfs/dbraw/zinc/50/77/82/823507782.db2.gz RZXQUVZFAAKXAJ-VLIAUNLRSA-N 1 0 380.492 4.281 20 0 GIADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc(Cl)c2cc(Cl)ccc2n1 ZINC000410648572 823507763 /nfs/dbraw/zinc/50/77/63/823507763.db2.gz REQDIJHNNFMFLR-LBPRGKRZSA-N 1 0 380.319 4.344 20 0 GIADRO Cc1onc(-c2ccccc2)c1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000031566862 820827066 /nfs/dbraw/zinc/82/70/66/820827066.db2.gz TWWSLEBMQRCITL-FQEVSTJZSA-N 1 0 375.472 4.044 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)[C@H]2C[C@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC000123424778 823507972 /nfs/dbraw/zinc/50/79/72/823507972.db2.gz OESRSYCMZYVYMD-OALUTQOASA-N 1 0 376.422 4.187 20 0 GIADRO C[C@@H](NC(=O)N(Cc1c(F)cccc1F)C1CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000189866646 823507992 /nfs/dbraw/zinc/50/79/92/823507992.db2.gz GUPISOQVKOKHMA-CVEARBPZSA-N 1 0 391.506 4.292 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)c(C(F)(F)F)c1 ZINC000060101200 823508259 /nfs/dbraw/zinc/50/82/59/823508259.db2.gz AVMVXYWUOJCNIC-UHFFFAOYSA-N 1 0 380.385 4.239 20 0 GIADRO CC[NH+](CC)CCOc1cc(NC(=O)c2sc(Cl)nc2C)ccc1OC ZINC000177655809 823508306 /nfs/dbraw/zinc/50/83/06/823508306.db2.gz OAXUFPNFXBIFLM-UHFFFAOYSA-N 1 0 397.928 4.086 20 0 GIADRO Cc1oc(-c2ccccc2)nc1C(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000031766608 820857322 /nfs/dbraw/zinc/85/73/22/820857322.db2.gz ZXEQTNUGLXUMLG-UHFFFAOYSA-N 1 0 389.499 4.307 20 0 GIADRO COc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@H](C)C[C@H](C)O)cc1 ZINC000123451539 823510092 /nfs/dbraw/zinc/51/00/92/823510092.db2.gz SMBDFMFRCUIWJE-MOPGFXCFSA-N 1 0 393.531 4.104 20 0 GIADRO CC[NH+](CC)[C@H](C)CNC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 ZINC000031825632 820866103 /nfs/dbraw/zinc/86/61/03/820866103.db2.gz FUTZLTIBSBQJLT-CYBMUJFWSA-N 1 0 393.940 4.114 20 0 GIADRO Cc1cc(OCC(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)ccc1Cl ZINC000060159713 823510595 /nfs/dbraw/zinc/51/05/95/823510595.db2.gz XHPIPDHWFMBFQB-IBGZPJMESA-N 1 0 386.923 4.056 20 0 GIADRO C[C@@H](Sc1ccc(Br)cc1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000031867003 820868463 /nfs/dbraw/zinc/86/84/63/820868463.db2.gz ICJYGNXMDARXNU-GFCCVEGCSA-N 1 0 399.398 4.355 20 0 GIADRO C[C@H](Sc1ccc(Br)cc1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000031867005 820868519 /nfs/dbraw/zinc/86/85/19/820868519.db2.gz ICJYGNXMDARXNU-LBPRGKRZSA-N 1 0 399.398 4.355 20 0 GIADRO CCOc1cccc([C@@H](C)NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)c1 ZINC000060185076 823511186 /nfs/dbraw/zinc/51/11/86/823511186.db2.gz RHUXYCWIRLZPET-YLJYHZDGSA-N 1 0 384.495 4.314 20 0 GIADRO C[NH+](C)CCCC1CCN(Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1 ZINC000123459749 823511416 /nfs/dbraw/zinc/51/14/16/823511416.db2.gz MNTDCIWSAYQSDP-UHFFFAOYSA-N 1 0 396.457 4.309 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCSc2ccccc21)Cc1ccccc1 ZINC000460783395 823511451 /nfs/dbraw/zinc/51/14/51/823511451.db2.gz DGLMPRIRXJHHFJ-TZIWHRDSSA-N 1 0 382.573 4.335 20 0 GIADRO Cc1cccc(N2CC[NH+](Cc3ccc(NC(=O)CSC(C)C)cc3)CC2)c1 ZINC000032018571 820888469 /nfs/dbraw/zinc/88/84/69/820888469.db2.gz CXBDPLMSHGLORL-UHFFFAOYSA-N 1 0 397.588 4.397 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccc(-c2ccccc2)[nH]1 ZINC000177679980 823512712 /nfs/dbraw/zinc/51/27/12/823512712.db2.gz JZQWPGZBYPHPRE-UHFFFAOYSA-N 1 0 389.499 4.138 20 0 GIADRO Cc1nc([C@H](C)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)oc1-c1ccc(Cl)cc1 ZINC000189956667 823517690 /nfs/dbraw/zinc/51/76/90/823517690.db2.gz WBUCZGKOVMVZSF-ZBFHGGJFSA-N 1 0 391.943 4.141 20 0 GIADRO O=C(NCc1ccccc1Cl)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000060244789 823513117 /nfs/dbraw/zinc/51/31/17/823513117.db2.gz MPMOAFAUDNDKBC-OAHLLOKOSA-N 1 0 377.941 4.113 20 0 GIADRO COc1cc(C[NH2+]C[C@H](C)C[C@H](C)O)ccc1OCc1ccc(Cl)cc1 ZINC000123479375 823513119 /nfs/dbraw/zinc/51/31/19/823513119.db2.gz CTPYAVVJQHDMER-CVEARBPZSA-N 1 0 377.912 4.424 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)CCCSc2ccc(Br)cc2)CC[N@@H+]1C ZINC000123488192 823513945 /nfs/dbraw/zinc/51/39/45/823513945.db2.gz RHZCKXSQPAMQJJ-ZBFHGGJFSA-N 1 0 399.398 4.263 20 0 GIADRO Cc1cc(C)c(Br)c(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)c1 ZINC000460793901 823514070 /nfs/dbraw/zinc/51/40/70/823514070.db2.gz MQQXFHFOKIUNKJ-KRWDZBQOSA-N 1 0 375.310 4.099 20 0 GIADRO CC1CC[NH+](C[C@H]2CCCN(C(=O)Cn3ccc4ccc(Cl)cc43)C2)CC1 ZINC000060275655 823514152 /nfs/dbraw/zinc/51/41/52/823514152.db2.gz BRQXCRNQUNOBHJ-GOSISDBHSA-N 1 0 387.955 4.265 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC1([C@@H](O)c2ccccc2)CC1)CC3 ZINC000123490885 823514184 /nfs/dbraw/zinc/51/41/84/823514184.db2.gz KUOHQYXZECHWON-SBUREZEXSA-N 1 0 376.500 4.137 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(OC)cc1OC)c1ccccc1Cl ZINC000032316029 820913426 /nfs/dbraw/zinc/91/34/26/820913426.db2.gz SUDAPOVXSABJMM-LJQANCHMSA-N 1 0 390.911 4.170 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1cc(OC)ccc1OC)c1ccccc1Cl ZINC000032316603 820914135 /nfs/dbraw/zinc/91/41/35/820914135.db2.gz BWWJUYFZQVCDCL-LJQANCHMSA-N 1 0 390.911 4.170 20 0 GIADRO CCCCC1CCC(C(=O)Nc2ccccc2C(=O)N2CCC[N@H+](C)CC2)CC1 ZINC000060303081 823514729 /nfs/dbraw/zinc/51/47/29/823514729.db2.gz JHYMVDFOJBUPMS-UHFFFAOYSA-N 1 0 399.579 4.399 20 0 GIADRO CC(C)Oc1ccc(-c2nc(C(=O)N(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)cs2)cc1 ZINC000123501606 823515183 /nfs/dbraw/zinc/51/51/83/823515183.db2.gz YOGIVVZNRNWGQI-NVXWUHKLSA-N 1 0 387.549 4.152 20 0 GIADRO CC(C)(CNC(=O)c1cc(F)c(F)cc1Cl)[N@@H+]1CCc2ccccc2C1 ZINC000032369133 820927099 /nfs/dbraw/zinc/92/70/99/820927099.db2.gz KBQNENYGNCQVMJ-UHFFFAOYSA-N 1 0 378.850 4.185 20 0 GIADRO CCC[NH+]1CCC(CNC(=O)CCCOc2ccc(Cl)cc2Cl)CC1 ZINC000060319952 823515229 /nfs/dbraw/zinc/51/52/29/823515229.db2.gz VUZBTBKMBJXZJY-UHFFFAOYSA-N 1 0 387.351 4.391 20 0 GIADRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)Nc3cccc(C(F)(F)F)n3)C2)CC1 ZINC000123503177 823515398 /nfs/dbraw/zinc/51/53/98/823515398.db2.gz IBSWJQCNEPOJIK-HNNXBMFYSA-N 1 0 384.446 4.076 20 0 GIADRO CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000177711086 823515562 /nfs/dbraw/zinc/51/55/62/823515562.db2.gz JBUQCJGVRJSVPO-XMSQKQJNSA-N 1 0 394.563 4.374 20 0 GIADRO Cc1nc(-c2ccccc2)ccc1C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000032400555 820934632 /nfs/dbraw/zinc/93/46/32/820934632.db2.gz BCUCTZJXEAROFP-UHFFFAOYSA-N 1 0 385.511 4.235 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1csc(Br)c1 ZINC000032448489 820946653 /nfs/dbraw/zinc/94/66/53/820946653.db2.gz YKBCYDCMFOIROA-UHFFFAOYSA-N 1 0 379.323 4.036 20 0 GIADRO COc1ccc(SCCC(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000032463942 820949989 /nfs/dbraw/zinc/94/99/89/820949989.db2.gz SWDXAZDJGDFUSV-UHFFFAOYSA-N 1 0 384.545 4.090 20 0 GIADRO C/C=C/c1ccc(OCC(=O)NCc2cccc(C[NH+]3CCCC3)c2)c(OC)c1 ZINC000032462737 820950072 /nfs/dbraw/zinc/95/00/72/820950072.db2.gz KQIIALNFKVSEJX-XVNBXDOJSA-N 1 0 394.515 4.019 20 0 GIADRO Cc1ccc(Br)cc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000460803757 823516898 /nfs/dbraw/zinc/51/68/98/823516898.db2.gz GWKOHHKNYHOKRW-INIZCTEOSA-N 1 0 393.350 4.386 20 0 GIADRO Cc1cc(C)n(-c2ccccc2C[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)n1 ZINC000123535907 823518687 /nfs/dbraw/zinc/51/86/87/823518687.db2.gz DIYYDGHMTOIHBK-GOSISDBHSA-N 1 0 390.487 4.297 20 0 GIADRO OCC[C@@H]1CCC[C@@H]1[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000189964113 823518841 /nfs/dbraw/zinc/51/88/41/823518841.db2.gz JYYXTPUOOJDFGC-REWPJTCUSA-N 1 0 375.516 4.239 20 0 GIADRO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000032638246 820982490 /nfs/dbraw/zinc/98/24/90/820982490.db2.gz PQRDPFCLGDSMQF-SMDDNHRTSA-N 1 0 387.332 4.241 20 0 GIADRO C[C@@H](CNC(=O)c1ccc(-n2cnc3ccccc32)cc1)[N@@H+]1CCCC[C@H]1C ZINC000032733112 820999507 /nfs/dbraw/zinc/99/95/07/820999507.db2.gz LYXUXVAZWRZSQZ-MSOLQXFVSA-N 1 0 376.504 4.018 20 0 GIADRO CC(C)c1cc(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c2cnn(C(C)C)c2n1 ZINC000032732987 820999623 /nfs/dbraw/zinc/99/96/23/820999623.db2.gz SLMPUXUCDHEQNA-DLBZAZTESA-N 1 0 385.556 4.128 20 0 GIADRO C[C@@H](CNC(=O)c1cccc(NC(=O)OC(C)(C)C)c1)[N@@H+]1CCCC[C@@H]1C ZINC000032733402 821000697 /nfs/dbraw/zinc/00/06/97/821000697.db2.gz YIDJUYPCTKABCG-HOTGVXAUSA-N 1 0 375.513 4.026 20 0 GIADRO CCOc1ccc(C(=O)NC[C@H](c2ccc(CC)cc2)[NH+](C)C)cc1OCC ZINC000032735466 821001418 /nfs/dbraw/zinc/00/14/18/821001418.db2.gz ZYAPCOPUTDMRFN-HXUWFJFHSA-N 1 0 384.520 4.079 20 0 GIADRO Cc1onc(-c2ccccc2)c1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000032761893 821004337 /nfs/dbraw/zinc/00/43/37/821004337.db2.gz YUJHLOUBJIUSTE-QGZVFWFLSA-N 1 0 381.501 4.278 20 0 GIADRO CC(C)c1nn(-c2ccccc2)c(Cl)c1C[NH+]1CCC(Cn2cncn2)CC1 ZINC000189979800 823520907 /nfs/dbraw/zinc/52/09/07/823520907.db2.gz CXMPVKWKNSNBDW-UHFFFAOYSA-N 1 0 398.942 4.153 20 0 GIADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1occc1COc1ccccc1 ZINC000032762304 821004757 /nfs/dbraw/zinc/00/47/57/821004757.db2.gz BBOIYOILFQUIPG-IBGZPJMESA-N 1 0 396.512 4.487 20 0 GIADRO O=C1c2ccccc2C(=O)N1CCC[NH+](Cc1cccs1)Cc1cccs1 ZINC000032775758 821006898 /nfs/dbraw/zinc/00/68/98/821006898.db2.gz BRMRGVZVQXEDLK-UHFFFAOYSA-N 1 0 396.537 4.498 20 0 GIADRO CCCc1cccc(C(C)C)c1NC(=O)NCCCC[NH+]1CCN(CC)CC1 ZINC000189984058 823521631 /nfs/dbraw/zinc/52/16/31/823521631.db2.gz TYNBASRNAUQENM-UHFFFAOYSA-N 1 0 388.600 4.302 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(NC(=O)CC(C)C)ccc1Cl ZINC000177761372 823521865 /nfs/dbraw/zinc/52/18/65/823521865.db2.gz MPOCEYFOZXEGIX-SJORKVTESA-N 1 0 391.943 4.023 20 0 GIADRO CC(=O)Nc1nc(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)cs1 ZINC000032967834 821023530 /nfs/dbraw/zinc/02/35/30/821023530.db2.gz DASJCTUZFZJBIH-UHFFFAOYSA-N 1 0 386.521 4.118 20 0 GIADRO Cc1c(C(=O)NCCC[N@@H+](C)C2CCCCC2)cnn1-c1ccc(Cl)cc1 ZINC000033006421 821026178 /nfs/dbraw/zinc/02/61/78/821026178.db2.gz SYEKNXGVFWDXDH-UHFFFAOYSA-N 1 0 388.943 4.219 20 0 GIADRO Cc1cccc(-c2nc(CC(=O)NCc3cccc(C[NH+](C)C)c3)cs2)c1 ZINC000033084977 821032031 /nfs/dbraw/zinc/03/20/31/821032031.db2.gz XGNTVTVDXPZRLP-UHFFFAOYSA-N 1 0 379.529 4.039 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cc2c(s1)CCCCC2 ZINC000060389935 823522905 /nfs/dbraw/zinc/52/29/05/823522905.db2.gz NGYUFEDUCHCLBY-UHFFFAOYSA-N 1 0 383.561 4.330 20 0 GIADRO CC[C@@H](NC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1)c1c(C)noc1C ZINC000123630688 823527672 /nfs/dbraw/zinc/52/76/72/823527672.db2.gz MUWVCCQRQVHTMB-OAQYLSRUSA-N 1 0 398.551 4.474 20 0 GIADRO COc1cccc(C[N@@H+](Cc2ccccc2)C[C@H](O)c2ccccc2)c1OC ZINC000035718656 821066495 /nfs/dbraw/zinc/06/64/95/821066495.db2.gz RVSFQJKEIKRFEK-QFIPXVFZSA-N 1 0 377.484 4.440 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1c(C)nn(-c2ccccc2)c1C)c1ccccc1 ZINC000036063032 821068205 /nfs/dbraw/zinc/06/82/05/821068205.db2.gz XTZZUWOLUNIVKI-JOCHJYFZSA-N 1 0 390.531 4.302 20 0 GIADRO CC[C@@H]([NH2+]CCCS(=O)(=O)c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000177812322 823529062 /nfs/dbraw/zinc/52/90/62/823529062.db2.gz WROHASGPKYPKOU-GOSISDBHSA-N 1 0 383.460 4.193 20 0 GIADRO Cc1ncc([C@H](C)[NH2+]C[C@H](O)c2cccc(OCc3ccccc3)c2)c(C)n1 ZINC000123647568 823529111 /nfs/dbraw/zinc/52/91/11/823529111.db2.gz NMQOWEGKLHCRRH-HJPURHCSSA-N 1 0 377.488 4.057 20 0 GIADRO CCCCOc1c(Cl)cc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000123651038 823529270 /nfs/dbraw/zinc/52/92/70/823529270.db2.gz ZBCQKAXRUHLXEM-ZBFHGGJFSA-N 1 0 382.932 4.082 20 0 GIADRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc2cc(Br)ccc2o1 ZINC000060452642 823529363 /nfs/dbraw/zinc/52/93/63/823529363.db2.gz KNWJMJQKRHWADX-ZDUSSCGKSA-N 1 0 381.314 4.436 20 0 GIADRO COc1cccc([C@H](CNC(=O)c2sccc2-n2cccc2)[NH+]2CCCC2)c1 ZINC000036701102 821077462 /nfs/dbraw/zinc/07/74/62/821077462.db2.gz RFEQHORZGPQHSN-FQEVSTJZSA-N 1 0 395.528 4.114 20 0 GIADRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(Cn3cncn3)cc2)c2cccc(Br)c21 ZINC000177776052 823524593 /nfs/dbraw/zinc/52/45/93/823524593.db2.gz GKERCBOWAVYQKR-IFXJQAMLSA-N 1 0 397.320 4.427 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)Nc2nc3ccccc3s2)CC1 ZINC000177778933 823524999 /nfs/dbraw/zinc/52/49/99/823524999.db2.gz ZWFCBLSUGBXXAV-UHFFFAOYSA-N 1 0 380.517 4.425 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)c1ccccc1C(F)(F)F)c1ccc(N2CCOC2=O)cc1 ZINC000177779182 823525147 /nfs/dbraw/zinc/52/51/47/823525147.db2.gz PZUMTPKIVNGIGB-SCLBCKFNSA-N 1 0 394.393 4.046 20 0 GIADRO CC(C)c1ccc(OCC(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000038584603 821097777 /nfs/dbraw/zinc/09/77/77/821097777.db2.gz ZFQWCKNSDUQEEG-UHFFFAOYSA-N 1 0 386.561 4.279 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)NC(c1ccccc1)c1ccccc1)c1cccs1 ZINC000038629348 821098343 /nfs/dbraw/zinc/09/83/43/821098343.db2.gz ZHTYMUKIHQLHPD-IBGZPJMESA-N 1 0 379.529 4.440 20 0 GIADRO COc1ccc(OC)c(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)c1 ZINC000060426018 823525910 /nfs/dbraw/zinc/52/59/10/823525910.db2.gz GYYSNRCDKYKXDD-QGZVFWFLSA-N 1 0 382.504 4.008 20 0 GIADRO CC1CC[NH+]([C@H](CNC(=S)Nc2ccc([N+](=O)[O-])cc2)c2ccccc2)CC1 ZINC000060431312 823526759 /nfs/dbraw/zinc/52/67/59/823526759.db2.gz LWERTXFFXVXUMD-HXUWFJFHSA-N 1 0 398.532 4.354 20 0 GIADRO COc1cccc(NC(=S)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)c1 ZINC000060431333 823526800 /nfs/dbraw/zinc/52/68/00/823526800.db2.gz KBENLVWJZPUJTO-OAQYLSRUSA-N 1 0 383.561 4.455 20 0 GIADRO CS(=O)(=O)c1ccc(C[NH2+][C@@H](c2ccc(Br)cc2)C2CCC2)o1 ZINC000411460055 823577109 /nfs/dbraw/zinc/57/71/09/823577109.db2.gz QPTDKVUEONYCDZ-QGZVFWFLSA-N 1 0 398.322 4.077 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)c2cc3c(s2)-c2ccccc2OC3)CC1 ZINC000039563834 821116105 /nfs/dbraw/zinc/11/61/05/821116105.db2.gz QFNUGQSZBNDKTK-UHFFFAOYSA-N 1 0 384.545 4.500 20 0 GIADRO COc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)cc1OC ZINC000177845387 823535301 /nfs/dbraw/zinc/53/53/01/823535301.db2.gz QRQKZKUXWMINIP-QGZVFWFLSA-N 1 0 382.504 4.099 20 0 GIADRO COc1cc(C)c([C@H](C)[NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)cc1OC ZINC000177845395 823535349 /nfs/dbraw/zinc/53/53/49/823535349.db2.gz QRQKZKUXWMINIP-KRWDZBQOSA-N 1 0 382.504 4.099 20 0 GIADRO CCCOc1ccc([C@H](C)[NH2+]C2CCN(CC(=O)Nc3ccccc3)CC2)cc1 ZINC000177821854 823530978 /nfs/dbraw/zinc/53/09/78/823530978.db2.gz LSWIRCJPBCAXGI-IBGZPJMESA-N 1 0 395.547 4.229 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccc(Br)s1 ZINC000177824800 823531653 /nfs/dbraw/zinc/53/16/53/823531653.db2.gz XNEFXZBQUJWYES-GHMZBOCLSA-N 1 0 388.352 4.326 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)cc1 ZINC000123688021 823531652 /nfs/dbraw/zinc/53/16/52/823531652.db2.gz NSHIUKSKRITZEZ-ZWKOTPCHSA-N 1 0 376.422 4.187 20 0 GIADRO C[N@H+](Cc1ccc(OCC(F)(F)F)cc1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000040149687 821149678 /nfs/dbraw/zinc/14/96/78/821149678.db2.gz TZYUSAKGPXKKBB-UHFFFAOYSA-N 1 0 392.421 4.152 20 0 GIADRO Cc1noc2nc(C)cc(C(=O)NCc3ccccc3C[N@H+]3CCCC[C@H]3C)c12 ZINC000060475287 823532165 /nfs/dbraw/zinc/53/21/65/823532165.db2.gz RUMVLQADTAGUGR-MRXNPFEDSA-N 1 0 392.503 4.144 20 0 GIADRO CCOc1ccc(C(=O)N2CCC([NH2+][C@H](C)[C@@H](C)c3ccccc3)CC2)cc1 ZINC000177828865 823532487 /nfs/dbraw/zinc/53/24/87/823532487.db2.gz WKDKZJQHEIXQCO-RTBURBONSA-N 1 0 380.532 4.472 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)c1ccc(F)c(F)c1F)[NH+]1CCCCC1 ZINC000040615285 821162557 /nfs/dbraw/zinc/16/25/57/821162557.db2.gz GAOBUXOUMKASRL-QGZVFWFLSA-N 1 0 392.421 4.070 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)[C@H](C)Cc1ccccc1F)[NH+]1CCCCC1 ZINC000040654328 821163258 /nfs/dbraw/zinc/16/32/58/821163258.db2.gz FVLAUYDGTHDBDU-GCJKJVERSA-N 1 0 398.522 4.356 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)CCc1ncc(-c2ccccc2)o1)c1ccco1 ZINC000041020145 821167374 /nfs/dbraw/zinc/16/73/74/821167374.db2.gz JKWOHKCMZDFMNV-SFHVURJKSA-N 1 0 381.476 4.067 20 0 GIADRO Cc1ccc(-c2cnc(CCC(=O)NC[C@H](c3ccc(F)cc3)[NH+](C)C)o2)cc1 ZINC000041021288 821168176 /nfs/dbraw/zinc/16/81/76/821168176.db2.gz UHFPVRIUYMUHRF-HXUWFJFHSA-N 1 0 395.478 4.141 20 0 GIADRO CC(C)c1cccc(NC(=O)C(=O)NCc2ccccc2C[NH+]2CCCCC2)c1 ZINC000041126687 821171974 /nfs/dbraw/zinc/17/19/74/821171974.db2.gz KWWWPPMKQGUXOA-UHFFFAOYSA-N 1 0 393.531 4.051 20 0 GIADRO O=C(N[C@@H]1CCCc2sccc21)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460883571 823535780 /nfs/dbraw/zinc/53/57/80/823535780.db2.gz NZWWGJKLJBMZAR-QKNQBKEWSA-N 1 0 395.572 4.289 20 0 GIADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C2(Cc3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC000190086793 823535865 /nfs/dbraw/zinc/53/58/65/823535865.db2.gz UEQIJNAEHUWFBI-QGZVFWFLSA-N 1 0 398.469 4.002 20 0 GIADRO CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000460880272 823535071 /nfs/dbraw/zinc/53/50/71/823535071.db2.gz HTSXYJUOOINLPK-SFHVURJKSA-N 1 0 391.604 4.305 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000177843746 823535102 /nfs/dbraw/zinc/53/51/02/823535102.db2.gz PCHGUFWNBFMVAV-UTKZUKDTSA-N 1 0 385.939 4.413 20 0 GIADRO C[NH+]1CCN(Cc2ccc(NC(=O)c3ccc(OC4CCCC4)cc3)cc2)CC1 ZINC000060547666 823540894 /nfs/dbraw/zinc/54/08/94/823540894.db2.gz GQAMNOFOIJKWNB-UHFFFAOYSA-N 1 0 393.531 4.008 20 0 GIADRO Cc1cccc(N2CC[NH+](CCCCNC(=S)Nc3ccccc3C)CC2)c1 ZINC000041741209 821220938 /nfs/dbraw/zinc/22/09/38/821220938.db2.gz LWJAPAIZGAJZIH-UHFFFAOYSA-N 1 0 396.604 4.192 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N(C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000460894893 823537319 /nfs/dbraw/zinc/53/73/19/823537319.db2.gz MLNQCXLBCBBQFD-OQIJWPOYSA-N 1 0 397.485 4.269 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H](CCc2ccccc2)c2ccccc2)C1 ZINC000177859082 823537372 /nfs/dbraw/zinc/53/73/72/823537372.db2.gz DGSJCMRNXPTSEE-GGAORHGYSA-N 1 0 379.548 4.344 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+]C2CCN(C(=O)c3ccccc3)CC2)cc1OCC ZINC000177858424 823537388 /nfs/dbraw/zinc/53/73/88/823537388.db2.gz AMBRVWIRYVEPGX-GOSISDBHSA-N 1 0 396.531 4.439 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCc2cccc3cccnc32)CC1 ZINC000177860517 823537530 /nfs/dbraw/zinc/53/75/30/823537530.db2.gz KQHRUQDQXVLNJV-LJQANCHMSA-N 1 0 394.563 4.421 20 0 GIADRO CC1(C)[C@@H](Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)C[C@H]1c1ccccc1 ZINC000123755399 823537785 /nfs/dbraw/zinc/53/77/85/823537785.db2.gz ABRVPCZRLJNBET-GOTSBHOMSA-N 1 0 391.559 4.378 20 0 GIADRO CC1(C)[C@H](Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)C[C@@H]1c1ccccc1 ZINC000123756078 823537831 /nfs/dbraw/zinc/53/78/31/823537831.db2.gz ABRVPCZRLJNBET-DHIUTWEWSA-N 1 0 391.559 4.378 20 0 GIADRO CCOC(=O)N1CCC([NH2+]Cc2ccc(OCc3ccc(C)cc3)cc2)CC1 ZINC000060523784 823538312 /nfs/dbraw/zinc/53/83/12/823538312.db2.gz OKLLZGGDGSXZEE-UHFFFAOYSA-N 1 0 382.504 4.285 20 0 GIADRO CC[NH+](CC)[C@H](C)CNC(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1 ZINC000041924964 821245692 /nfs/dbraw/zinc/24/56/92/821245692.db2.gz QGVJPLYUPQOUOO-QGZVFWFLSA-N 1 0 392.503 4.172 20 0 GIADRO Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@H](C)CC(=O)N(C)c1ccccc1 ZINC000177870832 823539122 /nfs/dbraw/zinc/53/91/22/823539122.db2.gz FPAAIBKVSVTVBV-LJQANCHMSA-N 1 0 390.531 4.145 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)c1cc(C)n(C2CC2)c1C ZINC000060532912 823539138 /nfs/dbraw/zinc/53/91/38/823539138.db2.gz DSKIIUUGMPFWJC-UHFFFAOYSA-N 1 0 383.536 4.090 20 0 GIADRO C[C@@H]1C[N@@H+](CCCCNC(=O)c2[nH]c3ccc(Cl)cc3c2Cl)C[C@H](C)O1 ZINC000123771804 823539190 /nfs/dbraw/zinc/53/91/90/823539190.db2.gz YFQLDJCGHMYXMP-BETUJISGSA-N 1 0 398.334 4.094 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)c1ccc(F)cc1Cl ZINC000060532882 823539212 /nfs/dbraw/zinc/53/92/12/823539212.db2.gz VAFAIOKLCGVBIS-UHFFFAOYSA-N 1 0 378.875 4.130 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1)C1CCCCC1 ZINC000042012535 821253724 /nfs/dbraw/zinc/25/37/24/821253724.db2.gz MIXHWPBTBOTFGV-IBGZPJMESA-N 1 0 397.563 4.181 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@@H](C)c2ccc(SC)cc2)c1 ZINC000042021139 821254860 /nfs/dbraw/zinc/25/48/60/821254860.db2.gz PSWIMCJOGVUVJX-INIZCTEOSA-N 1 0 399.560 4.066 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1cc(-c2ccccc2F)on1 ZINC000042092204 821263917 /nfs/dbraw/zinc/26/39/17/821263917.db2.gz HVKLSCBWWVPIMT-UHFFFAOYSA-N 1 0 397.450 4.454 20 0 GIADRO COc1ccccc1C[C@@H]1CCCN1C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000060545885 823540580 /nfs/dbraw/zinc/54/05/80/823540580.db2.gz VIBBIVISCZIXRD-NRFANRHFSA-N 1 0 387.568 4.066 20 0 GIADRO Cc1ccc(CNC(=O)[C@H](C)[NH2+]Cc2cccc(COCc3ccco3)c2)cc1 ZINC000042183539 821280138 /nfs/dbraw/zinc/28/01/38/821280138.db2.gz YUVACHXTDJBINO-IBGZPJMESA-N 1 0 392.499 4.099 20 0 GIADRO COc1cc(C[NH2+][C@H](C)c2ccc(OCC(C)C)c(OC)c2)cc2c1OCO2 ZINC000042201784 821282821 /nfs/dbraw/zinc/28/28/21/821282821.db2.gz JFYHTKWHYIYECT-OAHLLOKOSA-N 1 0 387.476 4.318 20 0 GIADRO COc1ccc([C@H](O)C[NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)cc1 ZINC000042202496 821283223 /nfs/dbraw/zinc/28/32/23/821283223.db2.gz HYVGSSVCUURBKG-GOSISDBHSA-N 1 0 380.469 4.388 20 0 GIADRO COc1ccc(C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccs2)cn1 ZINC000042202908 821283432 /nfs/dbraw/zinc/28/34/32/821283432.db2.gz FZUUWTCGQCVOKC-UHFFFAOYSA-N 1 0 390.512 4.353 20 0 GIADRO COc1ccc(NC(=O)[C@H](C)[NH2+]C(c2ccccc2)c2ccccc2)c(OC)c1 ZINC000042287779 821295426 /nfs/dbraw/zinc/29/54/26/821295426.db2.gz HVZGCIIYHKFVGI-KRWDZBQOSA-N 1 0 390.483 4.410 20 0 GIADRO COc1ccc(NC(=O)[C@@H](C)[NH2+]C(c2ccccc2)c2ccccc2)c(OC)c1 ZINC000042287781 821295590 /nfs/dbraw/zinc/29/55/90/821295590.db2.gz HVZGCIIYHKFVGI-QGZVFWFLSA-N 1 0 390.483 4.410 20 0 GIADRO COc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc3ccccc3c2)c(OC)c1 ZINC000042385036 821305830 /nfs/dbraw/zinc/30/58/30/821305830.db2.gz CBDJAGPSAPEUNO-INIZCTEOSA-N 1 0 378.472 4.316 20 0 GIADRO C[C@H](C(=O)Nc1cccc2ncccc21)[NH+]1CCC(OCc2ccccc2)CC1 ZINC000042563738 821310049 /nfs/dbraw/zinc/31/00/49/821310049.db2.gz NSURLRLDDHCNBD-GOSISDBHSA-N 1 0 389.499 4.243 20 0 GIADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)CCc1ncc(-c2ccc(F)cc2)o1 ZINC000042538967 821310094 /nfs/dbraw/zinc/31/00/94/821310094.db2.gz UWNDZJXEGOASMH-MRXNPFEDSA-N 1 0 375.488 4.040 20 0 GIADRO Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC(OCc2ccccc2)CC1 ZINC000042563667 821310387 /nfs/dbraw/zinc/31/03/87/821310387.db2.gz PQACVRSHPVLHEW-UXHICEINSA-N 1 0 380.532 4.242 20 0 GIADRO Cc1noc(C)c1CSc1ccccc1C(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000042586998 821312852 /nfs/dbraw/zinc/31/28/52/821312852.db2.gz QJAVFINXEPHUMD-QGZVFWFLSA-N 1 0 389.565 4.290 20 0 GIADRO CC(C)OCc1c2ccccc2oc1C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000042671873 821323352 /nfs/dbraw/zinc/32/33/52/821323352.db2.gz UPDPGXQFOZSVOQ-LJQANCHMSA-N 1 0 394.515 4.261 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)Cc1coc2cc(OC)ccc12 ZINC000042699041 821325206 /nfs/dbraw/zinc/32/52/06/821325206.db2.gz UNUOFGZVLVYBCX-UHFFFAOYSA-N 1 0 396.487 4.343 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1cc(OC)ccc1OC)c1ccc(Cl)cc1 ZINC000123796748 823541540 /nfs/dbraw/zinc/54/15/40/823541540.db2.gz SKEPOWIOENDVPA-GUYCJALGSA-N 1 0 376.884 4.425 20 0 GIADRO CCOc1cc(NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)ccc1OC ZINC000042814581 821335035 /nfs/dbraw/zinc/33/50/35/821335035.db2.gz WDFFMAFPYRKCMM-IBGZPJMESA-N 1 0 383.492 4.053 20 0 GIADRO C[C@H](Oc1ccc(F)cc1Br)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000043039819 821356053 /nfs/dbraw/zinc/35/60/53/821356053.db2.gz BXGGZDLEOJWCMQ-LBPRGKRZSA-N 1 0 395.272 4.056 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)CCc1ncc(-c2ccccc2)o1 ZINC000043086621 821359399 /nfs/dbraw/zinc/35/93/99/821359399.db2.gz YXINTPQLDFIVBW-UHFFFAOYSA-N 1 0 391.515 4.431 20 0 GIADRO CCCOc1ccc(C(=O)N(C)C2CC[NH+](C(C)C)CC2)cc1OCCC ZINC000043112988 821362485 /nfs/dbraw/zinc/36/24/85/821362485.db2.gz JREQJTWFBMACKZ-UHFFFAOYSA-N 1 0 376.541 4.209 20 0 GIADRO COc1ccc(C[N@@H+]2CCCN(C(=O)Nc3c(C)cc(C)cc3C)CC2)cc1 ZINC000043150518 821369176 /nfs/dbraw/zinc/36/91/76/821369176.db2.gz ZKTRLYDMBZYXIA-UHFFFAOYSA-N 1 0 381.520 4.360 20 0 GIADRO C[C@@H](c1nc2ccccc2s1)N(C)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000043167284 821371816 /nfs/dbraw/zinc/37/18/16/821371816.db2.gz GNYHIEUPAALMSB-RDJZCZTQSA-N 1 0 398.532 4.429 20 0 GIADRO CC(C)n1cnnc1[C@@H]1CCC[N@H+](CCc2cccc(OC(F)(F)F)c2)C1 ZINC000180625715 821373555 /nfs/dbraw/zinc/37/35/55/821373555.db2.gz OAJUGOJSWUGCPU-MRXNPFEDSA-N 1 0 382.430 4.180 20 0 GIADRO CC[C@H]([NH2+]CC(=O)Nc1c(Cl)cccc1Cl)c1ccc2c(c1)OCCO2 ZINC000180628051 821374196 /nfs/dbraw/zinc/37/41/96/821374196.db2.gz PXKFKVABJQUKOG-HNNXBMFYSA-N 1 0 395.286 4.444 20 0 GIADRO Clc1cccc(N2CCCC2)c1C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000180629407 821374912 /nfs/dbraw/zinc/37/49/12/821374912.db2.gz WJUUEKHCXIFOFB-IBGZPJMESA-N 1 0 392.971 4.490 20 0 GIADRO O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC1CC[NH+](C2CC2)CC1 ZINC000043187209 821375794 /nfs/dbraw/zinc/37/57/94/821375794.db2.gz NIHHXTZMCYEWHA-UHFFFAOYSA-N 1 0 395.347 4.473 20 0 GIADRO C[C@H](NC(=O)N1CCC([NH+]2CCCCC2)CC1)c1ccc(Br)cc1 ZINC000043186849 821375857 /nfs/dbraw/zinc/37/58/57/821375857.db2.gz AFVXURKDHVOFHN-HNNXBMFYSA-N 1 0 394.357 4.170 20 0 GIADRO CC[C@H]([NH2+]CCCc1nc(-c2ccccc2)no1)c1ccc2c(c1)OCCO2 ZINC000180635236 821377184 /nfs/dbraw/zinc/37/71/84/821377184.db2.gz OGKFCPQRRFOZIR-SFHVURJKSA-N 1 0 379.460 4.181 20 0 GIADRO Cn1ccnc1[C@@H](O)[C@H]1CCC[N@H+](Cc2ccc(-c3ccc(F)cc3)s2)C1 ZINC000180647675 821381479 /nfs/dbraw/zinc/38/14/79/821381479.db2.gz QEOFUERTAUDDJF-JXFKEZNVSA-N 1 0 385.508 4.233 20 0 GIADRO CC[C@H](CSC)[N@H+](C)Cc1nc(-c2cc(Br)cs2)no1 ZINC000180658318 821385553 /nfs/dbraw/zinc/38/55/53/821385553.db2.gz DCMDOUUGSBUBGQ-SNVBAGLBSA-N 1 0 376.345 4.134 20 0 GIADRO COc1cc2c(cc1NC(=O)NC[C@H]1CC[N@@H+](C3CC3)C1)oc1ccccc12 ZINC000043278762 821386217 /nfs/dbraw/zinc/38/62/17/821386217.db2.gz QMTBSEYJQNGRTP-CQSZACIVSA-N 1 0 379.460 4.200 20 0 GIADRO CC[NH+]1CCC(NC(=O)N[C@@H](c2cc3ccccc3o2)c2ccccc2)CC1 ZINC000043291372 821387290 /nfs/dbraw/zinc/38/72/90/821387290.db2.gz ZGMQEWRPRLHCQM-JOCHJYFZSA-N 1 0 377.488 4.306 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@@H](c1ccccc1)c1ccccn1 ZINC000043295984 821388161 /nfs/dbraw/zinc/38/81/61/821388161.db2.gz KBXNPWZLUBEHQU-UGKGYDQZSA-N 1 0 380.536 4.125 20 0 GIADRO Cc1ccc(NC(=O)NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c(F)c1 ZINC000043324591 821392306 /nfs/dbraw/zinc/39/23/06/821392306.db2.gz NBAZRCCANKSGLE-IAGOWNOFSA-N 1 0 385.483 4.065 20 0 GIADRO Cc1cc(Br)cc(C[N@@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)c1O ZINC000180677765 821392678 /nfs/dbraw/zinc/39/26/78/821392678.db2.gz NWYPUEIZRXCGPW-ZLOXQWCVSA-N 1 0 396.350 4.394 20 0 GIADRO C[C@H]([NH2+]CCOc1ccccc1C(F)(F)F)c1ccc(-n2cncn2)cc1 ZINC000180678112 821392718 /nfs/dbraw/zinc/39/27/18/821392718.db2.gz BUVPQSLSEPSAEQ-AWEZNQCLSA-N 1 0 376.382 4.016 20 0 GIADRO Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)c1C ZINC000180689757 821396025 /nfs/dbraw/zinc/39/60/25/821396025.db2.gz ASLUQNRLARQICO-AUUYWEPGSA-N 1 0 394.437 4.363 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1)c1cccc(N2CCCC2=O)c1 ZINC000180691002 821396865 /nfs/dbraw/zinc/39/68/65/821396865.db2.gz PTFWBUVCCQUFKL-IFXJQAMLSA-N 1 0 392.421 4.216 20 0 GIADRO COCCOc1ccc([C@H](C)[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)cc1 ZINC000180690393 821396931 /nfs/dbraw/zinc/39/69/31/821396931.db2.gz DXQTUAKBIAMSOG-LIRRHRJNSA-N 1 0 383.410 4.115 20 0 GIADRO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)c(C)c1 ZINC000180691970 821397753 /nfs/dbraw/zinc/39/77/53/821397753.db2.gz RXNABOUHONKZGW-DNVCBOLYSA-N 1 0 394.437 4.363 20 0 GIADRO Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)c(C)c1 ZINC000180691990 821397772 /nfs/dbraw/zinc/39/77/72/821397772.db2.gz RXNABOUHONKZGW-HNAYVOBHSA-N 1 0 394.437 4.363 20 0 GIADRO Cc1nc2ccc(NC(=O)N3CCC[N@H+](Cc4ccccc4)CC3)cc2s1 ZINC000043375754 821398901 /nfs/dbraw/zinc/39/89/01/821398901.db2.gz OMHPLZULEXQIRW-UHFFFAOYSA-N 1 0 380.517 4.345 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)Nc1cccc(OC(F)(F)F)c1 ZINC000180696369 821399626 /nfs/dbraw/zinc/39/96/26/821399626.db2.gz SGWZKNRQWRDUQD-UHFFFAOYSA-N 1 0 394.397 4.018 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Nc1cc(OC)c(OC)cc1C)Cc1ccccc1 ZINC000043404212 821402378 /nfs/dbraw/zinc/40/23/78/821402378.db2.gz NBSPKGPUWZXHLF-IBGZPJMESA-N 1 0 399.535 4.087 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000180701290 821403841 /nfs/dbraw/zinc/40/38/41/821403841.db2.gz KTGIXOLHVSZGEA-QFIPXVFZSA-N 1 0 395.890 4.451 20 0 GIADRO Cc1cc(F)ccc1NC(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000043421074 821406490 /nfs/dbraw/zinc/40/64/90/821406490.db2.gz MXVUJNIDIYOFJX-CALCHBBNSA-N 1 0 385.483 4.065 20 0 GIADRO Cc1cccc(N2CC[NH+](CCCCNC(=O)Nc3ccc(F)cc3C)CC2)c1 ZINC000043420964 821406563 /nfs/dbraw/zinc/40/65/63/821406563.db2.gz HWMJGIVUXFBORW-UHFFFAOYSA-N 1 0 398.526 4.166 20 0 GIADRO Clc1ccc(-c2noc(CC[NH2+]C3CCN(c4ccccc4)CC3)n2)cc1 ZINC000180707893 821408392 /nfs/dbraw/zinc/40/83/92/821408392.db2.gz IOVWDZOKHYJJPR-UHFFFAOYSA-N 1 0 382.895 4.191 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@H]2CCOc3ccc(F)cc32)cc1Cn1cccn1 ZINC000180715880 821414325 /nfs/dbraw/zinc/41/43/25/821414325.db2.gz WVKOZXJNPHEMOO-QRWLVFNGSA-N 1 0 381.451 4.254 20 0 GIADRO Cc1ccc([C@H]([NH2+]Cc2ccccc2CS(C)(=O)=O)c2ccccc2)cc1 ZINC000180716098 821414358 /nfs/dbraw/zinc/41/43/58/821414358.db2.gz BEWSMVOGBDCUKL-HSZRJFAPSA-N 1 0 379.525 4.419 20 0 GIADRO CCOc1cccc([C@H](C)[NH2+]CC(=O)N[C@H](c2nccs2)c2ccccc2)c1 ZINC000180718726 821416249 /nfs/dbraw/zinc/41/62/49/821416249.db2.gz GUDAZUJTBNMJPP-KKSFZXQISA-N 1 0 395.528 4.098 20 0 GIADRO Cc1cc(N2CCCC2)ccc1NC(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000043495228 821417077 /nfs/dbraw/zinc/41/70/77/821417077.db2.gz HCCDKYYEJVSWAG-LJQANCHMSA-N 1 0 392.547 4.164 20 0 GIADRO Cc1cc(Br)ccc1C[NH2+][C@@H](C)CC(=O)Nc1cccnc1Cl ZINC000180723497 821418276 /nfs/dbraw/zinc/41/82/76/821418276.db2.gz QZJOZSLHQUSGJZ-LBPRGKRZSA-N 1 0 396.716 4.313 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccsc1 ZINC000043548542 821425047 /nfs/dbraw/zinc/42/50/47/821425047.db2.gz WQODAXCWQJWYEC-INIZCTEOSA-N 1 0 387.505 4.214 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)c1 ZINC000043548284 821425203 /nfs/dbraw/zinc/42/52/03/821425203.db2.gz FSDFIRHWKODSDD-UHFFFAOYSA-N 1 0 381.476 4.111 20 0 GIADRO CC[C@@H]([NH2+]CC1(N2CCCCC2)CCOCC1)c1ccccc1OC(F)F ZINC000180737270 821425845 /nfs/dbraw/zinc/42/58/45/821425845.db2.gz WJEUFWZIUURVQH-GOSISDBHSA-N 1 0 382.495 4.364 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)Nc2nc(C(F)(F)F)cs2)cc1 ZINC000043635154 821433748 /nfs/dbraw/zinc/43/37/48/821433748.db2.gz XVGOZDLLSRMAMK-UHFFFAOYSA-N 1 0 386.443 4.325 20 0 GIADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3nc(C(F)(F)F)cs3)CC2)cc1 ZINC000043635013 821433918 /nfs/dbraw/zinc/43/39/18/821433918.db2.gz VEYPETDWLAXIOV-UHFFFAOYSA-N 1 0 398.454 4.210 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)c2ccc(NC(=O)[C@@H]3C[C@@H]3C)cc2)CC1 ZINC000180755066 821436044 /nfs/dbraw/zinc/43/60/44/821436044.db2.gz WMGWIUSBZLUMRR-PGRDOPGGSA-N 1 0 399.579 4.255 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000043651888 821436642 /nfs/dbraw/zinc/43/66/42/821436642.db2.gz MKPBXWULLCAFLA-KRWDZBQOSA-N 1 0 394.519 4.199 20 0 GIADRO COc1cc(C)c([C@@H](C)[NH2+]CCCC(=O)N2CCc3ccccc32)cc1OC ZINC000180760853 821439405 /nfs/dbraw/zinc/43/94/05/821439405.db2.gz HUOABDXTWGXVIM-QGZVFWFLSA-N 1 0 382.504 4.032 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(NC(=O)C(C)C)cc1)c1ccccc1 ZINC000043675131 821440107 /nfs/dbraw/zinc/44/01/07/821440107.db2.gz NQLNQDUJSSPUTC-NRFANRHFSA-N 1 0 396.535 4.486 20 0 GIADRO CC(C)C(=O)Nc1ccc(NC(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000043674769 821440147 /nfs/dbraw/zinc/44/01/47/821440147.db2.gz HZQMUOBNFOTSOI-UHFFFAOYSA-N 1 0 394.519 4.199 20 0 GIADRO Cn1cc([C@H]([NH2+]C[C@H](O)c2cc3ccccc3s2)c2cccc(F)c2)cn1 ZINC000180762011 821440758 /nfs/dbraw/zinc/44/07/58/821440758.db2.gz YREDHXKPNUFOTA-GHTZIAJQSA-N 1 0 381.476 4.187 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1ccccc1OCc1ccccc1 ZINC000180764434 821441845 /nfs/dbraw/zinc/44/18/45/821441845.db2.gz IZLVTXSUOMQBGP-MAUKXSAKSA-N 1 0 392.421 4.079 20 0 GIADRO CCC(CC)c1nnc(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000043698189 821443076 /nfs/dbraw/zinc/44/30/76/821443076.db2.gz HZXPKDNSPZNRAR-UHFFFAOYSA-N 1 0 387.553 4.228 20 0 GIADRO CCN(CC)C(=O)CCC1CC[NH+](Cc2c(C)nn(-c3ccccc3)c2C)CC1 ZINC000180772372 821446562 /nfs/dbraw/zinc/44/65/62/821446562.db2.gz PHZQHMTVRONIFI-UHFFFAOYSA-N 1 0 396.579 4.350 20 0 GIADRO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@H]1CCN(C(=O)C2CCCCC2)C1)CC3 ZINC000180773459 821447824 /nfs/dbraw/zinc/44/78/24/821447824.db2.gz MSBLMWZATSXUAK-OALUTQOASA-N 1 0 379.548 4.104 20 0 GIADRO CCc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3cccc(-c4ccncc4)c3)C2)ncn1 ZINC000180777111 821450354 /nfs/dbraw/zinc/45/03/54/821450354.db2.gz YGQKBPFKSVATDF-FDDCHVKYSA-N 1 0 387.531 4.421 20 0 GIADRO CCc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3ccc(SC)c(OC)c3)C2)ncn1 ZINC000180778269 821450936 /nfs/dbraw/zinc/45/09/36/821450936.db2.gz OLGAXCLLJKBWJN-MAUKXSAKSA-N 1 0 386.565 4.089 20 0 GIADRO CCC(=O)N1CC[C@@H]([NH2+][C@@H](c2ccc(Cl)cc2)c2ccc(OC)c(C)c2)C1 ZINC000180780303 821453269 /nfs/dbraw/zinc/45/32/69/821453269.db2.gz RDPZIZPPDSMTJQ-KNQAVFIVSA-N 1 0 386.923 4.347 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000043767808 821455257 /nfs/dbraw/zinc/45/52/57/821455257.db2.gz QGWZGOHUXHLXTR-UHFFFAOYSA-N 1 0 382.895 4.216 20 0 GIADRO C[C@@H]([NH2+]CCNC(=O)c1c(F)cccc1F)c1ccc(SC(F)F)cc1 ZINC000180789464 821459453 /nfs/dbraw/zinc/45/94/53/821459453.db2.gz UNIIJMDPDLNHQS-LLVKDONJSA-N 1 0 386.414 4.360 20 0 GIADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCCOc1cccc2cccnc21 ZINC000180803763 821467431 /nfs/dbraw/zinc/46/74/31/821467431.db2.gz RUBKXZMZDZSZIL-OAHLLOKOSA-N 1 0 398.894 4.059 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)c1 ZINC000043850208 821471239 /nfs/dbraw/zinc/47/12/39/821471239.db2.gz RVLKQSRUGUKUEJ-UHFFFAOYSA-N 1 0 389.503 4.133 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)Nc1ccc(SC)cc1)[NH+]1CCCC1 ZINC000043867354 821477430 /nfs/dbraw/zinc/47/74/30/821477430.db2.gz WXETVPSKUGWMLU-LJQANCHMSA-N 1 0 385.533 4.376 20 0 GIADRO CC(C)n1ncc2ccc(NC(=O)NCC3CCN(c4cc[nH+]cc4)CC3)cc21 ZINC000180825752 821482972 /nfs/dbraw/zinc/48/29/72/821482972.db2.gz AQWQJNNWFQMEAR-UHFFFAOYSA-N 1 0 392.507 4.050 20 0 GIADRO Cc1ncc([C@@H](C)[NH2+]CCC(=O)Nc2cc(Br)ccc2C)s1 ZINC000180830178 821484433 /nfs/dbraw/zinc/48/44/33/821484433.db2.gz WGUKXABILVXCJG-LLVKDONJSA-N 1 0 382.327 4.202 20 0 GIADRO C[C@H]([NH2+]CCNC(=O)c1cccc(Br)c1)c1ccc2ccccc2n1 ZINC000180834320 821486577 /nfs/dbraw/zinc/48/65/77/821486577.db2.gz CZMISXXQVBGLHW-AWEZNQCLSA-N 1 0 398.304 4.078 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccccc2SC(F)F)cc1OC ZINC000180840274 821489325 /nfs/dbraw/zinc/48/93/25/821489325.db2.gz ZCCWHTWXVAFSOD-LBPRGKRZSA-N 1 0 396.459 4.308 20 0 GIADRO CC[C@@H]1c2ccsc2CCN1C(=O)C[NH2+][C@H](C)c1ccc(-n2cccn2)cc1 ZINC000180846582 821492145 /nfs/dbraw/zinc/49/21/45/821492145.db2.gz UPGWBPHUFFHKLU-OXQOHEQNSA-N 1 0 394.544 4.120 20 0 GIADRO C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000180847262 821492189 /nfs/dbraw/zinc/49/21/89/821492189.db2.gz SEVFJOWTSRBWOL-KRWDZBQOSA-N 1 0 394.544 4.169 20 0 GIADRO C[C@H]([NH2+]CCCc1nc(-c2ccncc2)cs1)c1ccc([S@@](C)=O)cc1 ZINC000180849668 821494117 /nfs/dbraw/zinc/49/41/17/821494117.db2.gz AGCHTONCFWTNPP-QWXGXRTQSA-N 1 0 385.558 4.226 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)Nc1ccccc1OCC(F)(F)F ZINC000043959393 821495662 /nfs/dbraw/zinc/49/56/62/821495662.db2.gz HJNNHDZFGWWYKA-OAHLLOKOSA-N 1 0 397.397 4.179 20 0 GIADRO COc1cc(OC)c(NC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1Cl ZINC000180855267 821496766 /nfs/dbraw/zinc/49/67/66/821496766.db2.gz NGNCXNGAOIMNLI-ZIAGYGMSSA-N 1 0 395.931 4.132 20 0 GIADRO COc1ccc([C@H]([NH2+][C@@H]2CCCOC2)c2ccccc2)cc1Br ZINC000180859894 821498902 /nfs/dbraw/zinc/49/89/02/821498902.db2.gz JCTSQWBSUMIULB-VQIMIIECSA-N 1 0 376.294 4.316 20 0 GIADRO C[C@H]([NH2+]CCCN1C(=O)c2ccccc2C1=O)c1ccc(-c2ccncc2)cc1 ZINC000180883912 821511902 /nfs/dbraw/zinc/51/19/02/821511902.db2.gz UBOBDPSYLIMFKE-KRWDZBQOSA-N 1 0 385.467 4.086 20 0 GIADRO COc1cccc([C@H](CNC(=S)N[C@@H](C)c2ccccc2)[NH+]2CCCC2)c1 ZINC000044056217 821513258 /nfs/dbraw/zinc/51/32/58/821513258.db2.gz GIYUYWYIMUDHKH-UWJYYQICSA-N 1 0 383.561 4.057 20 0 GIADRO COc1ccccc1[C@@H](CNC(=S)N[C@H](C)c1ccccc1)[NH+]1CCCC1 ZINC000044055679 821513449 /nfs/dbraw/zinc/51/34/49/821513449.db2.gz HNLHVWIROUFZIL-YLJYHZDGSA-N 1 0 383.561 4.057 20 0 GIADRO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@@H](C)Oc1ccccc1 ZINC000180890948 821518013 /nfs/dbraw/zinc/51/80/13/821518013.db2.gz SLXKDOWGLGNJKY-HUUCEWRRSA-N 1 0 380.410 4.480 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1F)c1ccc(-c2ccncc2)cc1 ZINC000180896709 821521828 /nfs/dbraw/zinc/52/18/28/821521828.db2.gz WISNVFDJIJSBAH-SJORKVTESA-N 1 0 377.463 4.243 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1)C(=O)NCc1ccccc1F ZINC000180896690 821521917 /nfs/dbraw/zinc/52/19/17/821521917.db2.gz WISNVFDJIJSBAH-IRXDYDNUSA-N 1 0 377.463 4.243 20 0 GIADRO CC1CC[NH+](CCCCNC(=S)Nc2cccc(Br)c2)CC1 ZINC000044100133 821523027 /nfs/dbraw/zinc/52/30/27/821523027.db2.gz XWFPMVWXGJURKR-UHFFFAOYSA-N 1 0 384.387 4.248 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)Nc2cccc(NC(=O)C3CC3)c2)cc1 ZINC000044102510 821523372 /nfs/dbraw/zinc/52/33/72/821523372.db2.gz SUASERCOQLDDRV-UHFFFAOYSA-N 1 0 394.519 4.199 20 0 GIADRO C[C@](O)(C[NH2+]C1CCN(Cc2ccccc2Cl)CC1)c1ccc(F)cc1F ZINC000180900232 821524281 /nfs/dbraw/zinc/52/42/81/821524281.db2.gz MVFNVEMHPLRKGU-NRFANRHFSA-N 1 0 394.893 4.080 20 0 GIADRO COc1ccc(CN(C)C(=O)C[NH2+][C@@H](C)c2ccc(-c3ccncc3)cc2)cc1 ZINC000180900139 821524288 /nfs/dbraw/zinc/52/42/88/821524288.db2.gz YOFGTDQEIYBWNO-SFHVURJKSA-N 1 0 389.499 4.066 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)Nc1ccccc1CC(F)(F)F ZINC000180903634 821527226 /nfs/dbraw/zinc/52/72/26/821527226.db2.gz JQNWFFBFDQLDJD-UHFFFAOYSA-N 1 0 392.425 4.225 20 0 GIADRO CCC(CC)[C@@H]1C[C@H](NC(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)CCO1 ZINC000180909986 821531326 /nfs/dbraw/zinc/53/13/26/821531326.db2.gz AQYSPLPSDFXLRF-DYXWJJEUSA-N 1 0 391.556 4.008 20 0 GIADRO COc1ccc(CN2CC[C@H]([NH2+][C@@H](C)c3ccccc3C(F)(F)F)C2=O)cc1 ZINC000180914171 821534093 /nfs/dbraw/zinc/53/40/93/821534093.db2.gz YRIJQLWXUSYKCW-LIRRHRJNSA-N 1 0 392.421 4.166 20 0 GIADRO CCCCc1nnc(NC(=O)C[NH2+][C@@H](C)c2ccc(-c3ccncc3)cc2)s1 ZINC000180914870 821534688 /nfs/dbraw/zinc/53/46/88/821534688.db2.gz YXUYBEBRHOWONT-HNNXBMFYSA-N 1 0 395.532 4.232 20 0 GIADRO CC[C@H]([NH2+][C@@H]1CCN(Cc2ccc(OC)cc2)C1=O)c1ccc(Cl)s1 ZINC000180915942 821535490 /nfs/dbraw/zinc/53/54/90/821535490.db2.gz DZRDVSOYWZUAIV-JKSUJKDBSA-N 1 0 378.925 4.252 20 0 GIADRO CC(C)c1cccc(C(C)C)c1NC(=S)NCCCC[NH+]1CCOCC1 ZINC000044151177 821536113 /nfs/dbraw/zinc/53/61/13/821536113.db2.gz HJYHWKTZRKZHHW-UHFFFAOYSA-N 1 0 377.598 4.332 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=S)Nc1ccc2ccccc2c1 ZINC000044158223 821538236 /nfs/dbraw/zinc/53/82/36/821538236.db2.gz WUHZHHUADJYNCO-UHFFFAOYSA-N 1 0 388.540 4.472 20 0 GIADRO COc1ccc(CN2CC[C@H]([NH2+][C@H]3C[C@H](C)Sc4sccc43)C2=O)cc1 ZINC000180921965 821539133 /nfs/dbraw/zinc/53/91/33/821539133.db2.gz MJTLGGUKYMXWFC-KKXDTOCCSA-N 1 0 388.558 4.073 20 0 GIADRO CC(C)(C)n1cc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cn1 ZINC000180952565 821553832 /nfs/dbraw/zinc/55/38/32/821553832.db2.gz NLLOZMJQXDTRSB-TZIWHRDSSA-N 1 0 395.551 4.157 20 0 GIADRO COc1ccc([C@@H]2CCCN2C(=O)Nc2cccc(C[NH+](C)C)c2)cc1OC ZINC000044277227 821558568 /nfs/dbraw/zinc/55/85/68/821558568.db2.gz UZKWBGASJGZNFF-IBGZPJMESA-N 1 0 383.492 4.134 20 0 GIADRO COc1cc([C@@H](C)NC(=O)Nc2cccc(C[NH+](C)C)c2)ccc1OC(C)C ZINC000044276998 821558631 /nfs/dbraw/zinc/55/86/31/821558631.db2.gz AKIOSWNYAQJYSO-MRXNPFEDSA-N 1 0 385.508 4.427 20 0 GIADRO C[C@@H](NC(=O)C[NH2+][C@H](C)c1ccc(OCC(F)(F)F)cc1)c1ccccc1 ZINC000180965232 821560087 /nfs/dbraw/zinc/56/00/87/821560087.db2.gz OECARIBDTVXSDG-HUUCEWRRSA-N 1 0 380.410 4.156 20 0 GIADRO O=C(Nc1ccc2oc(C3CC3)nc2c1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000044308893 821565666 /nfs/dbraw/zinc/56/56/66/821565666.db2.gz TXGSLXJOYWAQGW-UHFFFAOYSA-N 1 0 390.487 4.445 20 0 GIADRO COc1cc(Br)ccc1C[NH2+][C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000180973840 821566573 /nfs/dbraw/zinc/56/65/73/821566573.db2.gz MQVCPYCVRKYRHR-VERVWZFWSA-N 1 0 382.323 4.046 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1cccc(OCC(F)(F)F)c1)c1ccsc1 ZINC000044309902 821566730 /nfs/dbraw/zinc/56/67/30/821566730.db2.gz PLCXGZRRDUCVQB-OAHLLOKOSA-N 1 0 387.427 4.114 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCC[C@H](C(F)(F)F)C3)c(C)c2)CC1 ZINC000044313540 821568265 /nfs/dbraw/zinc/56/82/65/821568265.db2.gz DKXYLYDDDGWWOJ-SJORKVTESA-N 1 0 397.485 4.444 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)CCc3ccc(Cl)s3)c(C)c2)CC1 ZINC000044313534 821568282 /nfs/dbraw/zinc/56/82/82/821568282.db2.gz SSDNSRGUCVWMSN-UHFFFAOYSA-N 1 0 391.968 4.423 20 0 GIADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)c2cc3cc(Cl)ccc3o2)cc1 ZINC000180979060 821570078 /nfs/dbraw/zinc/57/00/78/821570078.db2.gz XXNUDYKKURRNEO-CHWSQXEVSA-N 1 0 392.908 4.406 20 0 GIADRO CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]CCc1nc2cc(F)ccc2n1C ZINC000181002152 821586344 /nfs/dbraw/zinc/58/63/44/821586344.db2.gz YWSNGOUDDZGXOD-INIZCTEOSA-N 1 0 396.510 4.385 20 0 GIADRO C[C@H]([NH2+]CCc1nc(-c2ccccn2)cs1)c1cccc(N2CCCC2=O)c1 ZINC000181009312 821590365 /nfs/dbraw/zinc/59/03/65/821590365.db2.gz KMJPNRMZSGWCKO-INIZCTEOSA-N 1 0 392.528 4.225 20 0 GIADRO Cc1cccn2cc(C[NH2+][C@@H](C)CC(=O)Nc3ccccc3C(F)(F)F)nc12 ZINC000181012824 821593482 /nfs/dbraw/zinc/59/34/82/821593482.db2.gz XHIPXOXOZAEGOV-AWEZNQCLSA-N 1 0 390.409 4.168 20 0 GIADRO CC[C@H](C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccc(OC)cc1 ZINC000181019959 821596590 /nfs/dbraw/zinc/59/65/90/821596590.db2.gz QKEWIELFPFILDN-LMNJBCLMSA-N 1 0 386.561 4.450 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)CCc2ccc3[nH]ccc3c2)[C@@H]1c1cccs1 ZINC000181020103 821596595 /nfs/dbraw/zinc/59/65/95/821596595.db2.gz DAEXUVSDEJAHDD-XMSQKQJNSA-N 1 0 381.545 4.361 20 0 GIADRO COc1ccc([C@H](CNC(=O)c2ccc(COC(C)C)cc2)[NH+]2CCCC2)cc1 ZINC000044513302 821597771 /nfs/dbraw/zinc/59/77/71/821597771.db2.gz MOPIDCGDLCNAHQ-QHCPKHFHSA-N 1 0 396.531 4.187 20 0 GIADRO Cc1c(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)cnn1C(C)(C)C ZINC000044552897 821607728 /nfs/dbraw/zinc/60/77/28/821607728.db2.gz UTSYQXWVTXIZMP-KRWDZBQOSA-N 1 0 382.552 4.251 20 0 GIADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C(c2cccs2)c2cccs2)cc1 ZINC000181050914 821610935 /nfs/dbraw/zinc/61/09/35/821610935.db2.gz SITNYUXMIJKQIX-ZDUSSCGKSA-N 1 0 392.571 4.158 20 0 GIADRO COc1cccc(OCCC[NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)c1 ZINC000181053119 821612179 /nfs/dbraw/zinc/61/21/79/821612179.db2.gz LVIAZANFQPAJPN-INIZCTEOSA-N 1 0 383.492 4.099 20 0 GIADRO Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000181082043 821623237 /nfs/dbraw/zinc/62/32/37/821623237.db2.gz NUSSIFOTZZYRPY-CYBMUJFWSA-N 1 0 382.291 4.123 20 0 GIADRO C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@H](O)c1c(Cl)cccc1Cl ZINC000181105764 821635241 /nfs/dbraw/zinc/63/52/41/821635241.db2.gz XOJRCEBOQVOOMN-GUYCJALGSA-N 1 0 381.303 4.058 20 0 GIADRO Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H](O)c1c(Cl)cccc1Cl ZINC000181106155 821635818 /nfs/dbraw/zinc/63/58/18/821635818.db2.gz YRZQXXMKIGHHRR-DYVFJYSZSA-N 1 0 381.303 4.342 20 0 GIADRO COc1ccc([C@H](C)[NH2+]C[C@H](O)c2c(Cl)cccc2Cl)cc1NC(C)=O ZINC000181106594 821636526 /nfs/dbraw/zinc/63/65/26/821636526.db2.gz QHDXHFCLUFKULH-GTNSWQLSSA-N 1 0 397.302 4.345 20 0 GIADRO C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)[NH2+]C1CCC(S(C)(=O)=O)CC1 ZINC000181118123 821643461 /nfs/dbraw/zinc/64/34/61/821643461.db2.gz PVUSVPBFJYCVEC-CZWNDGCPSA-N 1 0 394.364 4.095 20 0 GIADRO C[C@@H](N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(Br)cc1Br ZINC000044686282 821644706 /nfs/dbraw/zinc/64/47/06/821644706.db2.gz VRQWCKPDNBRCNY-ZYHUDNBSSA-N 1 0 388.147 4.099 20 0 GIADRO Fc1ccc(-c2n[nH]cc2C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)cc1 ZINC000181122844 821646883 /nfs/dbraw/zinc/64/68/83/821646883.db2.gz XTYRXRFJPZUNHY-UHFFFAOYSA-N 1 0 393.388 4.268 20 0 GIADRO CCN(CC)c1ncc(C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)s1 ZINC000181124671 821648478 /nfs/dbraw/zinc/64/84/78/821648478.db2.gz CWTOGFKCMXLJCZ-UHFFFAOYSA-N 1 0 387.475 4.042 20 0 GIADRO C[N@@H+](CC(=O)Nc1c(F)cc(F)cc1Br)CC1CCCCC1 ZINC000044715088 821648711 /nfs/dbraw/zinc/64/87/11/821648711.db2.gz RWMSBGDPUAYVAH-UHFFFAOYSA-N 1 0 375.257 4.178 20 0 GIADRO C[C@@H]([NH2+]C1CCC(S(C)(=O)=O)CC1)c1ccc(SCC(F)F)cc1 ZINC000181125832 821649099 /nfs/dbraw/zinc/64/90/99/821649099.db2.gz YQHJLXURQZSSHN-XEBKBJJBSA-N 1 0 377.522 4.050 20 0 GIADRO COCc1ccsc1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1C ZINC000181163704 821673770 /nfs/dbraw/zinc/67/37/70/821673770.db2.gz FMDLHEPJCZFTOX-UHFFFAOYSA-N 1 0 376.547 4.004 20 0 GIADRO C[C@@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000044876449 821675587 /nfs/dbraw/zinc/67/55/87/821675587.db2.gz HGFLSEJGSKXWRC-GOSISDBHSA-N 1 0 384.495 4.141 20 0 GIADRO C[C@@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000044878883 821676483 /nfs/dbraw/zinc/67/64/83/821676483.db2.gz KJEYECJFUBEGRD-QZTJIDSGSA-N 1 0 384.495 4.141 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)c2oc(Br)cc2C)cc1 ZINC000044957758 821683276 /nfs/dbraw/zinc/68/32/76/821683276.db2.gz GAADXEFHDWBWQD-UHFFFAOYSA-N 1 0 379.298 4.122 20 0 GIADRO CN(C(=O)C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1)c1nc2ccccc2s1 ZINC000181184860 821683612 /nfs/dbraw/zinc/68/36/12/821683612.db2.gz CESXNQVTIPKQDO-APWZRJJASA-N 1 0 395.528 4.017 20 0 GIADRO Cc1cc2ncc([C@H](C)[NH2+]C3CCN(Cc4ccc(Cl)cc4)CC3)c(C)n2n1 ZINC000181190982 821686839 /nfs/dbraw/zinc/68/68/39/821686839.db2.gz WECRYPBVWLWOSX-INIZCTEOSA-N 1 0 397.954 4.315 20 0 GIADRO CCN(CC)[C@@H](C[NH2+][C@@H](C)c1cnc2cc(C)nn2c1C)c1cccc(OC)c1 ZINC000181192212 821687601 /nfs/dbraw/zinc/68/76/01/821687601.db2.gz FKWNEDQFGNHIRH-JTSKRJEESA-N 1 0 395.551 4.088 20 0 GIADRO COc1ccc(NC(=O)C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)cc1Cl ZINC000181192736 821688143 /nfs/dbraw/zinc/68/81/43/821688143.db2.gz MSDCRZLAIKBVFI-DNVCBOLYSA-N 1 0 388.895 4.045 20 0 GIADRO COc1ccc2c(C[NH2+][C@@H](C[C@H]3CCOC3)c3ccccc3)cc(=O)oc2c1 ZINC000181193244 821688255 /nfs/dbraw/zinc/68/82/55/821688255.db2.gz OUPCQFRAFGGYLJ-IERDGZPVSA-N 1 0 379.456 4.059 20 0 GIADRO C[C@@H](CC1CC1)[NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000181194969 821689905 /nfs/dbraw/zinc/68/99/05/821689905.db2.gz TWDNSIVEIFNYIG-RNODOKPDSA-N 1 0 379.472 4.236 20 0 GIADRO CCOC(=O)COc1ccc(CC[NH2+][C@@H](C)c2ccc3ccccc3n2)cc1 ZINC000181198537 821692087 /nfs/dbraw/zinc/69/20/87/821692087.db2.gz ULBSULCJLVUMTP-KRWDZBQOSA-N 1 0 378.472 4.070 20 0 GIADRO C[C@H](NC(=O)C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)c1ccc(Cl)cc1 ZINC000181211858 821699690 /nfs/dbraw/zinc/69/96/90/821699690.db2.gz YZFJZKNINAOKKH-XGHQBKJUSA-N 1 0 386.923 4.275 20 0 GIADRO C[C@@H]1CCc2ccccc2N1C(=O)C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000181225230 821705832 /nfs/dbraw/zinc/70/58/32/821705832.db2.gz HTPYIHJYMRXRIY-DXIQSLLYSA-N 1 0 378.516 4.112 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1cc(Cl)cc(Cl)n1 ZINC000181230949 821708695 /nfs/dbraw/zinc/70/86/95/821708695.db2.gz WOARTBFSFQRQJI-CQSZACIVSA-N 1 0 378.303 4.125 20 0 GIADRO CC(C)[C@@H]1OCCC[C@H]1C[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000181237880 821713140 /nfs/dbraw/zinc/71/31/40/821713140.db2.gz IUVNPOLKECZOGA-DOXZYTNZSA-N 1 0 386.458 4.463 20 0 GIADRO CCC(CC)n1ncc(C(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)c1C ZINC000181240273 821714416 /nfs/dbraw/zinc/71/44/16/821714416.db2.gz AQWUFMAYBHTGNS-UHFFFAOYSA-N 1 0 397.567 4.326 20 0 GIADRO C[S@@](=O)c1ccc(C[NH2+][C@H]2CCCOc3cc(Br)ccc32)cc1 ZINC000181246048 821717097 /nfs/dbraw/zinc/71/70/97/821717097.db2.gz FFKKRVOJLPEKHV-GAJHUEQPSA-N 1 0 394.334 4.190 20 0 GIADRO Cc1ccc(CN(C(=O)C[NH2+][C@H](C)c2ccc(-c3cccnc3)cc2)C2CC2)o1 ZINC000181275480 821728413 /nfs/dbraw/zinc/72/84/13/821728413.db2.gz CBKRCGHOYCBIJC-GOSISDBHSA-N 1 0 389.499 4.492 20 0 GIADRO CCOc1ccc([C@@H](C)NC(=O)CCC[NH2+][C@H](C)c2ccc(Cl)nc2)cc1 ZINC000181279617 821731547 /nfs/dbraw/zinc/73/15/47/821731547.db2.gz PFWJUKOCOFTMPX-HZPDHXFCSA-N 1 0 389.927 4.442 20 0 GIADRO CCOc1ccc([C@@H](C)NC(=O)CCC[NH2+][C@H](C)c2sc(C)nc2C)cc1 ZINC000181279030 821731619 /nfs/dbraw/zinc/73/16/19/821731619.db2.gz SIBNVBKHBVBKSF-HUUCEWRRSA-N 1 0 389.565 4.467 20 0 GIADRO CCOc1ccc([C@@H](C)NC(=O)CCC[NH2+][C@@H](C)c2cccnc2Cl)cc1 ZINC000181279137 821731640 /nfs/dbraw/zinc/73/16/40/821731640.db2.gz BLKSIPUMHBDUKE-CVEARBPZSA-N 1 0 389.927 4.442 20 0 GIADRO COc1cccc([C@@H]2[C@@H]([NH2+][C@@H]3CCCc4nc(C)sc43)CCN2C2CC2)c1 ZINC000181282206 821733784 /nfs/dbraw/zinc/73/37/84/821733784.db2.gz HAJMUMUZDWYTMR-CEWLAPEOSA-N 1 0 383.561 4.405 20 0 GIADRO COc1ccccc1N1CC[C@@H]([NH2+][C@H](C)c2ccc(-c3ccncc3)cc2)C1=O ZINC000181286955 821735761 /nfs/dbraw/zinc/73/57/61/821735761.db2.gz PBQGVMRJOQLXTA-DYESRHJHSA-N 1 0 387.483 4.213 20 0 GIADRO CCc1ccc2c(C[NH2+][C@H](C)c3ccc(N4CCOC4=O)cc3)cc(=O)oc2c1 ZINC000181288682 821737156 /nfs/dbraw/zinc/73/71/56/821737156.db2.gz WBXYWHPWQJKBSZ-OAHLLOKOSA-N 1 0 392.455 4.163 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[NH2+][C@@H](C)c2ccc(-c3cccnc3)cc2)c1 ZINC000181291703 821738641 /nfs/dbraw/zinc/73/86/41/821738641.db2.gz LSPVFKYXIQWANI-INIZCTEOSA-N 1 0 391.471 4.055 20 0 GIADRO CCC[C@@H]([NH2+][C@H]1CCc2nc(COC)nn2C1)c1ccc(Cl)cc1Cl ZINC000181293278 821739440 /nfs/dbraw/zinc/73/94/40/821739440.db2.gz RYSNWNFKSDXGNK-XJKSGUPXSA-N 1 0 383.323 4.177 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000181293734 821739989 /nfs/dbraw/zinc/73/99/89/821739989.db2.gz HCURCMDIRIUPDI-HOTGVXAUSA-N 1 0 389.455 4.155 20 0 GIADRO COc1cc2c(cc1NC(=O)C[NH2+][C@H](C)c1cccnc1)oc1ccccc12 ZINC000181300636 821743204 /nfs/dbraw/zinc/74/32/04/821743204.db2.gz YRNGZFVLBDPRNQ-CQSZACIVSA-N 1 0 375.428 4.279 20 0 GIADRO CCOc1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccc(-c3cccnc3)cc2)cc1 ZINC000181299928 821743348 /nfs/dbraw/zinc/74/33/48/821743348.db2.gz IKTKVFGYQBIUFW-PGRDOPGGSA-N 1 0 392.499 4.238 20 0 GIADRO CCCOc1ccc(OCC[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)cc1 ZINC000181301484 821743993 /nfs/dbraw/zinc/74/39/93/821743993.db2.gz DBJIGCOFKQHJBA-KRWDZBQOSA-N 1 0 384.476 4.162 20 0 GIADRO Cc1cccc(C(C)C)c1NC(=O)C[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000181301900 821744077 /nfs/dbraw/zinc/74/40/77/821744077.db2.gz UWJUUXVMKSPMSS-KRWDZBQOSA-N 1 0 395.503 4.364 20 0 GIADRO Cc1ccc(CNC(=O)C[NH2+][C@H](C)c2ccc(-c3cccnc3)cc2)cc1F ZINC000181305727 821746061 /nfs/dbraw/zinc/74/60/61/821746061.db2.gz WDHGANRHRPXBRI-QGZVFWFLSA-N 1 0 377.463 4.163 20 0 GIADRO c1coc(-c2cc(C[N@@H+]3CCC[C@H](c4nc(-c5ccccc5)n[nH]4)C3)no2)c1 ZINC000181309174 821748315 /nfs/dbraw/zinc/74/83/15/821748315.db2.gz NWEBLUIIGDPPAH-INIZCTEOSA-N 1 0 375.432 4.099 20 0 GIADRO CCc1ccccc1NC(=O)C[C@H](C)[NH2+]CCOc1ccc(C(F)(F)F)cn1 ZINC000181325972 821760139 /nfs/dbraw/zinc/76/01/39/821760139.db2.gz YRXRCKZCZOHNQK-AWEZNQCLSA-N 1 0 395.425 4.049 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@@H]2CCCOc3c(F)cccc32)cc(OC)c1OC ZINC000181328246 821762107 /nfs/dbraw/zinc/76/21/07/821762107.db2.gz AUFYRHNDCCEISF-CXAGYDPISA-N 1 0 375.440 4.416 20 0 GIADRO Cc1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)c1C ZINC000181338753 821769804 /nfs/dbraw/zinc/76/98/04/821769804.db2.gz NMZACQMKGJGQRY-ROUUACIJSA-N 1 0 379.504 4.108 20 0 GIADRO CCc1nc(C)c([C@@H](C)N(C)C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)s1 ZINC000181339135 821770376 /nfs/dbraw/zinc/77/03/76/821770376.db2.gz JVEOOLZBMJXCIL-NVXWUHKLSA-N 1 0 388.581 4.237 20 0 GIADRO CC(C)(C)Oc1ccc(C[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)cn1 ZINC000181344421 821774432 /nfs/dbraw/zinc/77/44/32/821774432.db2.gz DBBHMNBUPSPLGS-UHFFFAOYSA-N 1 0 379.504 4.181 20 0 GIADRO CCC(CC)C[NH2+][C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000181347890 821777585 /nfs/dbraw/zinc/77/75/85/821777585.db2.gz RCDAKOPERAMXBT-FQEVSTJZSA-N 1 0 381.488 4.484 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(SC(=O)N(C)C)cc1)c1ccc(N2CCCC2=O)cc1 ZINC000181348693 821778132 /nfs/dbraw/zinc/77/81/32/821778132.db2.gz OHBCJSOPTONWNZ-INIZCTEOSA-N 1 0 397.544 4.438 20 0 GIADRO Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000181349116 821779015 /nfs/dbraw/zinc/77/90/15/821779015.db2.gz XSNHPXSPPIPPOU-OAHLLOKOSA-N 1 0 385.895 4.065 20 0 GIADRO COc1cc(NC(=O)C[NH2+][C@H](C)c2ccc(C)c(F)c2)c(OC)cc1Cl ZINC000181349500 821779110 /nfs/dbraw/zinc/77/91/10/821779110.db2.gz SXPIWKLEBFANIE-GFCCVEGCSA-N 1 0 380.847 4.094 20 0 GIADRO COC(=O)Nc1ccc(CNC(=O)C[NH2+][C@H](CC2CCC2)c2ccccc2)cc1 ZINC000181356840 821783889 /nfs/dbraw/zinc/78/38/89/821783889.db2.gz ANMSVPSELMCWBZ-OAQYLSRUSA-N 1 0 395.503 4.002 20 0 GIADRO CCn1c2ccc(F)cc2nc1C[NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000181358377 821785218 /nfs/dbraw/zinc/78/52/18/821785218.db2.gz ONLXYSNHYVWWKI-OAHLLOKOSA-N 1 0 380.467 4.173 20 0 GIADRO CSc1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)c1 ZINC000181367579 821791042 /nfs/dbraw/zinc/79/10/42/821791042.db2.gz IMWGXELVSKXOSL-CVEARBPZSA-N 1 0 397.544 4.213 20 0 GIADRO CSc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000181374200 821793818 /nfs/dbraw/zinc/79/38/18/821793818.db2.gz GOJWDZNWZLLSNK-CVEARBPZSA-N 1 0 397.544 4.213 20 0 GIADRO Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000181382573 821797649 /nfs/dbraw/zinc/79/76/49/821797649.db2.gz NXTNZLNGSCOCEG-HOTGVXAUSA-N 1 0 399.922 4.453 20 0 GIADRO CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H](C)c2sc(CCOC)nc2C)c1 ZINC000181383167 821798275 /nfs/dbraw/zinc/79/82/75/821798275.db2.gz LAMPPBNESNPTSG-GJZGRUSLSA-N 1 0 389.565 4.020 20 0 GIADRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(F)cc1)c1ccc(-c2ccncc2)cc1 ZINC000181384110 821798957 /nfs/dbraw/zinc/79/89/57/821798957.db2.gz NKLFVZKWHFOQKO-MRXNPFEDSA-N 1 0 384.476 4.012 20 0 GIADRO Cc1cc(C)n(-c2ccc(C[NH2+][C@@H](C)c3cccc(N4CCCC4=O)c3)cc2)n1 ZINC000181413439 821812321 /nfs/dbraw/zinc/81/23/21/821812321.db2.gz BYENNNYYBYNDEQ-IBGZPJMESA-N 1 0 388.515 4.467 20 0 GIADRO C[C@H](NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(F)c(Br)c1 ZINC000181416716 821814375 /nfs/dbraw/zinc/81/43/75/821814375.db2.gz LPZZSNPZQWPJKM-BKTGTZMESA-N 1 0 399.348 4.007 20 0 GIADRO Nc1nc(C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2cccs2)nc2ccccc12 ZINC000181417001 821815237 /nfs/dbraw/zinc/81/52/37/821815237.db2.gz HSGADPJQPADHRX-YJBOKZPZSA-N 1 0 382.533 4.142 20 0 GIADRO COc1cc(C)c([C@H](C)NC(=O)C[NH2+][C@H](C)c2cccc(Cl)c2)cc1OC ZINC000181418886 821816451 /nfs/dbraw/zinc/81/64/51/821816451.db2.gz XEZIXVXXGZDJSI-CABCVRRESA-N 1 0 390.911 4.194 20 0 GIADRO CCOc1cccc2cc([C@@H](C)[NH2+]C[C@H](O)c3cc(OC)ccc3OC)oc21 ZINC000181442546 821828319 /nfs/dbraw/zinc/82/83/19/821828319.db2.gz DTUPLEVYETYLGZ-KDOFPFPSSA-N 1 0 385.460 4.233 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(Br)cc1N1CCOCC1)c1ccccc1 ZINC000181458516 821835570 /nfs/dbraw/zinc/83/55/70/821835570.db2.gz LGXNPIKCGGYRAN-HNNXBMFYSA-N 1 0 375.310 4.137 20 0 GIADRO Cc1ccccc1[C@@H](C)[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000181459395 821835980 /nfs/dbraw/zinc/83/59/80/821835980.db2.gz QFBCWONAUQTZRY-MRXNPFEDSA-N 1 0 389.337 4.445 20 0 GIADRO COc1cccc2cc([C@H](C)[NH2+]Cc3ccccc3CN3CCCC3=O)oc21 ZINC000181473264 821841769 /nfs/dbraw/zinc/84/17/69/821841769.db2.gz FOZFOQKUVBMAEH-INIZCTEOSA-N 1 0 378.472 4.415 20 0 GIADRO Cc1ccccc1[C@@H](OC[C@H](O)C[N@H+](C)CCc1ccncc1)c1ccccc1 ZINC000181494042 821852308 /nfs/dbraw/zinc/85/23/08/821852308.db2.gz MHIKOUMDCTXZRH-NOZRDPDXSA-N 1 0 390.527 4.031 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)C[NH2+][C@H](c2ccccc2F)C2CCCC2)c1 ZINC000181495884 821853238 /nfs/dbraw/zinc/85/32/38/821853238.db2.gz SZYJNRVBTYCSER-QFIPXVFZSA-N 1 0 383.467 4.244 20 0 GIADRO C[C@@H]([NH2+]Cc1cccnc1-n1cncn1)c1cc2cc(Br)ccc2o1 ZINC000181504317 821857028 /nfs/dbraw/zinc/85/70/28/821857028.db2.gz UFWMDIFQFUZAHA-GFCCVEGCSA-N 1 0 398.264 4.022 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1ccccc1O ZINC000181505380 821857843 /nfs/dbraw/zinc/85/78/43/821857843.db2.gz VFNRAKDAESQUBK-RDTXWAMCSA-N 1 0 392.421 4.253 20 0 GIADRO Clc1ccc([C@H](C[NH2+]Cc2cccc3cnccc32)N2CCOCC2)cc1 ZINC000181507176 821858303 /nfs/dbraw/zinc/85/83/03/821858303.db2.gz DPJSMSPBMTXNME-QFIPXVFZSA-N 1 0 381.907 4.051 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1cccc(O)c1)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000181506790 821858386 /nfs/dbraw/zinc/85/83/86/821858386.db2.gz DWWOXKWFCNRDAD-QWHCGFSZSA-N 1 0 385.464 4.333 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)COC(c1ccccc1)c1ccccc1)c1cccc(O)c1 ZINC000181512641 821861620 /nfs/dbraw/zinc/86/16/20/821861620.db2.gz PQOAWYSPQOUMGP-MBSDFSHPSA-N 1 0 377.484 4.210 20 0 GIADRO Cc1nc(C2CCCC2)sc1C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181513085 821861765 /nfs/dbraw/zinc/86/17/65/821861765.db2.gz IJRZKNAKJNCFSB-PBHICJAKSA-N 1 0 375.582 4.492 20 0 GIADRO C[C@@H](NC(=O)CCc1ccc(Br)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181521745 821865147 /nfs/dbraw/zinc/86/51/47/821865147.db2.gz SGXGIRHGDMJHQW-WBVHZDCISA-N 1 0 393.369 4.151 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(CC(F)(F)F)C2=O)c2ccccc12 ZINC000181526092 821866469 /nfs/dbraw/zinc/86/64/69/821866469.db2.gz QLMCBTXKMDAZKT-CXAGYDPISA-N 1 0 380.410 4.052 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@H]2CCCN(CC(F)(F)F)C2=O)c2ccccc12 ZINC000181526112 821866832 /nfs/dbraw/zinc/86/68/32/821866832.db2.gz QLMCBTXKMDAZKT-GUYCJALGSA-N 1 0 380.410 4.052 20 0 GIADRO Cc1ccc(-c2nc(C)c(C(=O)N[C@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)s2)o1 ZINC000181528715 821867827 /nfs/dbraw/zinc/86/78/27/821867827.db2.gz HSMIOPLQHKWEDM-ZBFHGGJFSA-N 1 0 387.549 4.403 20 0 GIADRO C[C@H]([NH2+][C@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(SCC(F)F)cc1 ZINC000181529444 821868201 /nfs/dbraw/zinc/86/82/01/821868201.db2.gz JNIHNUMPMQPEDA-FZMZJTMJSA-N 1 0 396.425 4.248 20 0 GIADRO Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)n(-c2ccccc2)n1 ZINC000181530541 821868416 /nfs/dbraw/zinc/86/84/16/821868416.db2.gz MFAVSUPBLHLCEW-MJGOQNOKSA-N 1 0 386.503 4.043 20 0 GIADRO CN(C(=O)c1ccncc1)c1ccc(C[NH2+]Cc2cccc3cnccc32)cc1 ZINC000181531183 821868933 /nfs/dbraw/zinc/86/89/33/821868933.db2.gz MSQULFWNQMRJPL-UHFFFAOYSA-N 1 0 382.467 4.196 20 0 GIADRO CCOc1ccc(NC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000181531045 821869045 /nfs/dbraw/zinc/86/90/45/821869045.db2.gz NOKPCPRDCBDHRA-UHFFFAOYSA-N 1 0 382.508 4.251 20 0 GIADRO CCCCOc1ccc(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1OC ZINC000181533475 821870642 /nfs/dbraw/zinc/87/06/42/821870642.db2.gz HASVANKQLLYCNR-MJGOQNOKSA-N 1 0 388.552 4.257 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc3cc(C)cc(Br)c3o2)[C@H](C)C1 ZINC000181537816 821872474 /nfs/dbraw/zinc/87/24/74/821872474.db2.gz NSOOEXQFGIGESN-CJNGLKHVSA-N 1 0 393.325 4.306 20 0 GIADRO CC(C)n1cc(Br)cc1C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181538676 821873014 /nfs/dbraw/zinc/87/30/14/821873014.db2.gz JXUBWYWHZYMFKY-HUUCEWRRSA-N 1 0 396.373 4.214 20 0 GIADRO CC(C)n1cc(Br)cc1C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181538695 821873066 /nfs/dbraw/zinc/87/30/66/821873066.db2.gz JXUBWYWHZYMFKY-GJZGRUSLSA-N 1 0 396.373 4.214 20 0 GIADRO C[C@H](NC(=O)c1cccc(Br)c1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181540313 821873632 /nfs/dbraw/zinc/87/36/32/821873632.db2.gz WDGPUEOXOOOACC-QWHCGFSZSA-N 1 0 399.760 4.485 20 0 GIADRO Cc1cc(Br)ccc1CC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181540077 821873824 /nfs/dbraw/zinc/87/38/24/821873824.db2.gz PSGDHNQRXMDFHU-NVXWUHKLSA-N 1 0 393.369 4.069 20 0 GIADRO C[C@H](NC(=O)CCc1ncc(-c2ccccc2F)o1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181543513 821874694 /nfs/dbraw/zinc/87/46/94/821874694.db2.gz AEFDIKKRJQCIQU-IRXDYDNUSA-N 1 0 399.510 4.183 20 0 GIADRO O=C(CC1CC[NH+](CCCc2ccccc2Br)CC1)N1CCCC1 ZINC000181551335 821878032 /nfs/dbraw/zinc/87/80/32/821878032.db2.gz WBQZWQMUGMJGHQ-UHFFFAOYSA-N 1 0 393.369 4.106 20 0 GIADRO CCc1c2ccccc2oc1[C@H](C)[NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000181556038 821879591 /nfs/dbraw/zinc/87/95/91/821879591.db2.gz AYBKSHJLRZFXPP-HNNXBMFYSA-N 1 0 386.517 4.096 20 0 GIADRO FC(F)(F)Oc1ccc2c(c1)[C@H]([NH2+]CCc1nnc(-c3ccccc3)o1)CC2 ZINC000181559557 821881294 /nfs/dbraw/zinc/88/12/94/821881294.db2.gz LWSICTGRFAFZBD-QGZVFWFLSA-N 1 0 389.377 4.455 20 0 GIADRO COc1cc([C@H](C)[NH2+]CCc2nnc(-c3ccccc3)o2)ccc1OC(F)F ZINC000181561424 821881627 /nfs/dbraw/zinc/88/16/27/821881627.db2.gz KSHRZNIHTDTJCP-ZDUSSCGKSA-N 1 0 389.402 4.240 20 0 GIADRO Cc1ccc([C@@H](NC(=O)C[NH2+][C@@H](C)c2cccc(O)c2)c2cccs2)cc1 ZINC000181562568 821882087 /nfs/dbraw/zinc/88/20/87/821882087.db2.gz MHPAUGVEAYFGBL-KSFYIVLOSA-N 1 0 380.513 4.319 20 0 GIADRO COc1cccc2cc([C@@H](C)[NH2+]Cc3cccc(NC(=O)[C@@H]4CCCO4)c3)oc21 ZINC000181572778 821884994 /nfs/dbraw/zinc/88/49/94/821884994.db2.gz FWKYEXXDAGRMTH-QRWLVFNGSA-N 1 0 394.471 4.410 20 0 GIADRO CC[C@H]([NH2+]Cc1cccc(C(=O)NC)c1)c1cc(F)cc(Br)c1 ZINC000181584786 821890092 /nfs/dbraw/zinc/89/00/92/821890092.db2.gz XTZYGNAHWOZIIX-KRWDZBQOSA-N 1 0 379.273 4.189 20 0 GIADRO CC[C@H]([NH2+]C1CCN([C@H](C)c2ccncc2)CC1)c1ccc2c(c1)OCCO2 ZINC000181590152 821893334 /nfs/dbraw/zinc/89/33/34/821893334.db2.gz HOVKYBQAHBHSPS-UTKZUKDTSA-N 1 0 381.520 4.119 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(COCC(F)(F)F)c1)c1ccc2c(c1)OCCO2 ZINC000181595867 821895523 /nfs/dbraw/zinc/89/55/23/821895523.db2.gz MXCGGBNYFLIQEH-CQSZACIVSA-N 1 0 381.394 4.388 20 0 GIADRO CCOCc1ccccc1CNC(=O)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000181606357 821899936 /nfs/dbraw/zinc/89/99/36/821899936.db2.gz DKXITRYVGMLGKL-OAHLLOKOSA-N 1 0 394.437 4.209 20 0 GIADRO Cc1noc(C)c1[C@H](C)C[NH2+][C@@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000181627072 821910693 /nfs/dbraw/zinc/91/06/93/821910693.db2.gz HFOJKXLAHXTJLL-NEPJUHHUSA-N 1 0 399.413 4.300 20 0 GIADRO C[C@H](NC(=O)Cc1coc2cc3c(cc12)CCC3)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181628244 821911875 /nfs/dbraw/zinc/91/18/75/821911875.db2.gz AHYPKYJNZOELCR-QFBILLFUSA-N 1 0 380.532 4.233 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]C2CCN(CC(F)(F)F)CC2)c(Br)c1 ZINC000181644874 821920218 /nfs/dbraw/zinc/92/02/18/821920218.db2.gz VFCOOMWONXBGIL-LLVKDONJSA-N 1 0 395.263 4.135 20 0 GIADRO C[C@H]([NH2+]CC(=O)NC[C@@H]1CCN(c2ccccc2)C1)c1cccc2ccccc21 ZINC000181648973 821922101 /nfs/dbraw/zinc/92/21/01/821922101.db2.gz MLZZXBXWSHSPLD-PMACEKPBSA-N 1 0 387.527 4.133 20 0 GIADRO CCOc1cc(Cl)ccc1C[NH2+][C@H](C)c1ccc(NS(=O)(=O)CC)cc1 ZINC000181651639 821923617 /nfs/dbraw/zinc/92/36/17/821923617.db2.gz LAUBLAVCXOLTCO-CQSZACIVSA-N 1 0 396.940 4.351 20 0 GIADRO CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000181659181 821927477 /nfs/dbraw/zinc/92/74/77/821927477.db2.gz QGWJNSZNZCPSOB-RDTXWAMCSA-N 1 0 379.522 4.205 20 0 GIADRO CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)c1ccccc1OC(F)F ZINC000181658915 821927653 /nfs/dbraw/zinc/92/76/53/821927653.db2.gz LTUZJVRRVFKRBG-LSDHHAIUSA-N 1 0 383.460 4.191 20 0 GIADRO CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000181659934 821928103 /nfs/dbraw/zinc/92/81/03/821928103.db2.gz NFWRIPXELKGYPX-FXAWDEMLSA-N 1 0 397.544 4.084 20 0 GIADRO CC[C@@H](CSc1ccccc1)[NH2+][C@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000181667374 821933401 /nfs/dbraw/zinc/93/34/01/821933401.db2.gz LIZCTYUJQNTNIF-WBVHZDCISA-N 1 0 378.563 4.280 20 0 GIADRO C[N@@H+](Cc1cc(Br)ccc1F)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000181668005 821934199 /nfs/dbraw/zinc/93/41/99/821934199.db2.gz KJSAZHJLSGAVCA-UHFFFAOYSA-N 1 0 399.348 4.305 20 0 GIADRO C[C@H](NC(=O)Cc1csc(Cc2ccccc2)n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181669512 821934704 /nfs/dbraw/zinc/93/47/04/821934704.db2.gz SXIIHACIDVOGQE-HKUYNNGSSA-N 1 0 397.588 4.046 20 0 GIADRO C[C@@H](NC(=O)c1cnc(-c2ccccc2F)s1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181669911 821935711 /nfs/dbraw/zinc/93/57/11/821935711.db2.gz YLAWHFRWRPRQMJ-HUUCEWRRSA-N 1 0 387.524 4.332 20 0 GIADRO CC(C)C(=O)NC[C@H]1CCCN(Cc2nc(-c3c(F)cccc3F)cs2)C1 ZINC000181674297 821937726 /nfs/dbraw/zinc/93/77/26/821937726.db2.gz FBTOUUYHMGJJCH-CQSZACIVSA-N 1 0 393.503 4.073 20 0 GIADRO COC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1)c1ccccc1 ZINC000181689037 821944997 /nfs/dbraw/zinc/94/49/97/821944997.db2.gz DSTIHLXFQYQGKB-HSZRJFAPSA-N 1 0 395.524 4.305 20 0 GIADRO CCc1nn(C)c(CC)c1C[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000181723751 821961984 /nfs/dbraw/zinc/96/19/84/821961984.db2.gz PBVZPVOJWAXHDB-KRWDZBQOSA-N 1 0 392.341 4.311 20 0 GIADRO COc1ccc(-c2nc3c(s2)[C@H]([NH2+]Cc2cccc(N(C)C)n2)CCC3)cc1 ZINC000181733873 821967592 /nfs/dbraw/zinc/96/75/92/821967592.db2.gz PJHDEJKIMJLZCV-GOSISDBHSA-N 1 0 394.544 4.447 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(NC(N)=O)cc2)c(Br)c1 ZINC000181746721 821973887 /nfs/dbraw/zinc/97/38/87/821973887.db2.gz JXHMMPJCVBONLF-NWDGAFQWSA-N 1 0 392.297 4.360 20 0 GIADRO CC[C@@H]([NH2+]Cc1ccc(-c2ccccc2)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000181747500 821974439 /nfs/dbraw/zinc/97/44/39/821974439.db2.gz VHZDJAFKKHAVMO-JOCHJYFZSA-N 1 0 380.513 4.242 20 0 GIADRO C[C@H]([NH2+]CC1CCS(=O)(=O)CC1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000181762836 821981018 /nfs/dbraw/zinc/98/10/18/821981018.db2.gz VXAXUUWTBBVVTA-HNNXBMFYSA-N 1 0 377.481 4.093 20 0 GIADRO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@@](C)(O)c1ccc(F)cc1 ZINC000181791634 821993946 /nfs/dbraw/zinc/99/39/46/821993946.db2.gz KBEQKYLBMYWXJZ-BFUOFWGJSA-N 1 0 398.400 4.059 20 0 GIADRO CC(C)COc1ccc([C@@H](C)[NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 ZINC000181810125 822002176 /nfs/dbraw/zinc/00/21/76/822002176.db2.gz GUYXJJNKCBNJQT-CTNGQTDRSA-N 1 0 380.532 4.421 20 0 GIADRO O=C1C[C@H](C[NH2+][C@H]2CCCOc3c(Cl)cccc32)CN1Cc1ccccc1 ZINC000181812622 822003298 /nfs/dbraw/zinc/00/32/98/822003298.db2.gz TYYMMSRUNQOZTM-XLIONFOSSA-N 1 0 384.907 4.192 20 0 GIADRO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1cccc(OC(F)(F)F)c1 ZINC000181818835 822005429 /nfs/dbraw/zinc/00/54/29/822005429.db2.gz UHSYONPOQAWEDW-WBVHZDCISA-N 1 0 392.421 4.285 20 0 GIADRO C[C@@H]([NH2+]C[C@H](C)c1nc(-c2ccccc2)no1)c1cnn(Cc2ccccc2)c1 ZINC000181846342 822015603 /nfs/dbraw/zinc/01/56/03/822015603.db2.gz DEHRDDQCGRJGFU-ZWKOTPCHSA-N 1 0 387.487 4.436 20 0 GIADRO C[C@](O)(Cc1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1)c1ccccc1 ZINC000181847828 822016452 /nfs/dbraw/zinc/01/64/52/822016452.db2.gz OGYGWEVNRKIUNV-QHCPKHFHSA-N 1 0 377.488 4.173 20 0 GIADRO CCC[C@H]([NH2+]Cc1cc(=O)n2ccccc2n1)c1cccc(C(F)(F)F)c1 ZINC000181860162 822019120 /nfs/dbraw/zinc/01/91/20/822019120.db2.gz ZPGJSHRRJTUXBM-KRWDZBQOSA-N 1 0 375.394 4.344 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1nc(-c2ccco2)cs1)c1cccc(N2CCCC2)c1 ZINC000181877601 822023943 /nfs/dbraw/zinc/02/39/43/822023943.db2.gz SYSYHXDJKQRWCK-OAHLLOKOSA-N 1 0 396.516 4.293 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1nc(-c2ccco2)cs1)c1cccc(N2CCCC2)c1 ZINC000181877582 822024027 /nfs/dbraw/zinc/02/40/27/822024027.db2.gz SYSYHXDJKQRWCK-HNNXBMFYSA-N 1 0 396.516 4.293 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1ccc(F)cc1Cl)c1cccc(N2CCCC2)c1 ZINC000181891897 822028809 /nfs/dbraw/zinc/02/88/09/822028809.db2.gz UJTFCXDTSDVSJK-AWEZNQCLSA-N 1 0 375.875 4.369 20 0 GIADRO CCOc1cccc2cc([C@@H](C)[NH2+]Cc3cccc(OCC(=O)OC)c3)oc21 ZINC000181967735 822048621 /nfs/dbraw/zinc/04/86/21/822048621.db2.gz VVJOUCXSJIODDM-OAHLLOKOSA-N 1 0 383.444 4.234 20 0 GIADRO CC(C)Sc1c(Cl)cccc1NC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000181978382 822051324 /nfs/dbraw/zinc/05/13/24/822051324.db2.gz GDLPJEBXULNVEC-UHFFFAOYSA-N 1 0 399.988 4.151 20 0 GIADRO CC(C)[C@@H]([NH2+]Cc1cncc(Br)c1)c1ccc2c(c1)OCCO2 ZINC000181982216 822052296 /nfs/dbraw/zinc/05/22/96/822052296.db2.gz BRYDEYGCOLBKJW-GOSISDBHSA-N 1 0 377.282 4.102 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)c2c[nH]c3cc(F)ccc32)cc1Cl ZINC000181982751 822052769 /nfs/dbraw/zinc/05/27/69/822052769.db2.gz VASGWYQGVUZKRP-UHFFFAOYSA-N 1 0 375.831 4.153 20 0 GIADRO CCn1c(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C(C)C)nc2c1cccc2F ZINC000181989583 822055338 /nfs/dbraw/zinc/05/53/38/822055338.db2.gz AOXMWFGZFOOMHF-OAQYLSRUSA-N 1 0 383.467 4.453 20 0 GIADRO CC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2cccc(Cl)c2Cl)cc1 ZINC000181999621 822058400 /nfs/dbraw/zinc/05/84/00/822058400.db2.gz SUXXHJWWZXZPSO-MLGOLLRUSA-N 1 0 397.302 4.042 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1-c1ccccc1)c1ccc(-n2ccnn2)cc1 ZINC000182008432 822060423 /nfs/dbraw/zinc/06/04/23/822060423.db2.gz TUBWHCCETQIAEN-GOSISDBHSA-N 1 0 397.482 4.224 20 0 GIADRO C[C@H]([NH2+][C@@H](CC(N)=O)C1CCCCC1)c1ncc(-c2ccc(Cl)cc2)o1 ZINC000182010991 822061199 /nfs/dbraw/zinc/06/11/99/822061199.db2.gz VXDZIVVXMWPCSJ-GUYCJALGSA-N 1 0 375.900 4.470 20 0 GIADRO COCc1nc2n(n1)C[C@@H]([NH2+][C@@H](CC(C)(C)C)c1ccc(Cl)cc1)CC2 ZINC000182012928 822062372 /nfs/dbraw/zinc/06/23/72/822062372.db2.gz HFWLUISHAAZTTN-IRXDYDNUSA-N 1 0 376.932 4.160 20 0 GIADRO CCN(CC)C(=O)c1cccc(N[C@H](C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000182023881 822066187 /nfs/dbraw/zinc/06/61/87/822066187.db2.gz WWYCGSISGOECGC-GOSISDBHSA-N 1 0 383.536 4.282 20 0 GIADRO COCCC(=O)N1CCC([NH2+][C@H](C)c2cc3c(ccc4ccccc34)o2)CC1 ZINC000182029876 822068038 /nfs/dbraw/zinc/06/80/38/822068038.db2.gz CVOBVUBVQRKCKF-MRXNPFEDSA-N 1 0 380.488 4.264 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)c(Br)c1 ZINC000182037266 822070115 /nfs/dbraw/zinc/07/01/15/822070115.db2.gz LZXQRECILCCMGQ-OGHNNQOOSA-N 1 0 386.355 4.163 20 0 GIADRO Cc1nn(C)c(C)c1CCC[NH2+]Cc1cn(Cc2ccccc2)nc1C(C)(C)C ZINC000182044880 822071745 /nfs/dbraw/zinc/07/17/45/822071745.db2.gz COYDMTFNMDJHEX-UHFFFAOYSA-N 1 0 393.579 4.302 20 0 GIADRO Cc1cc(C[NH2+][C@@H](CC(N)=O)C2CCCCC2)nc(-c2ccc(Cl)cc2)n1 ZINC000182054888 822075960 /nfs/dbraw/zinc/07/59/60/822075960.db2.gz UVCTWBPXROXBPP-IBGZPJMESA-N 1 0 386.927 4.019 20 0 GIADRO CC[C@@H](C)Oc1ccc(C(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000182065790 822079731 /nfs/dbraw/zinc/07/97/31/822079731.db2.gz VSXVVPZKQHVLOR-QGZVFWFLSA-N 1 0 382.504 4.073 20 0 GIADRO CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3ccccc3OC(F)F)C2)cc1 ZINC000182085235 822087029 /nfs/dbraw/zinc/08/70/29/822087029.db2.gz DYFKNUSRGQVATF-KBXCAEBGSA-N 1 0 389.446 4.176 20 0 GIADRO COc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(SC(C)C)cc2)c(OC)c1 ZINC000182095349 822092223 /nfs/dbraw/zinc/09/22/23/822092223.db2.gz NASPMSRDAHNBRU-OAHLLOKOSA-N 1 0 388.533 4.494 20 0 GIADRO COC(=O)c1ccc(Cl)c(C[NH2+][C@@H](C)c2cc(OC)c(OC)cc2C)c1 ZINC000182107666 822096867 /nfs/dbraw/zinc/09/68/67/822096867.db2.gz ZXEDVMPEINQNSX-ZDUSSCGKSA-N 1 0 377.868 4.303 20 0 GIADRO COC(=O)c1cc(C[NH2+][C@@H](C)c2ccc(OC)c(Br)c2)c(C)s1 ZINC000182109258 822097152 /nfs/dbraw/zinc/09/71/52/822097152.db2.gz CFPKUBYVCJBCIA-JTQLQIEISA-N 1 0 398.322 4.465 20 0 GIADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]Cc1ccc(Cl)cn1 ZINC000182121892 822103543 /nfs/dbraw/zinc/10/35/43/822103543.db2.gz KKLQIHWSUAKWBB-NSHDSACASA-N 1 0 382.689 4.004 20 0 GIADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]Cc1ccc(Cl)cn1 ZINC000182121913 822103574 /nfs/dbraw/zinc/10/35/74/822103574.db2.gz KKLQIHWSUAKWBB-LLVKDONJSA-N 1 0 382.689 4.004 20 0 GIADRO CC(C)c1ccc(C2(O)CCC([NH2+][C@H]3CCN(C(=O)C4CCCC4)C3)CC2)cc1 ZINC000182123299 822104292 /nfs/dbraw/zinc/10/42/92/822104292.db2.gz GILGNSXSSAEHRM-KJXWVISYSA-N 1 0 398.591 4.321 20 0 GIADRO CC[NH+]1CCN(c2ccc(N[C@@H](C)c3ccc(NC(C)=O)cc3)c(C)c2)CC1 ZINC000182181614 822135835 /nfs/dbraw/zinc/13/58/35/822135835.db2.gz SQLGNXIKILFCGN-SFHVURJKSA-N 1 0 380.536 4.268 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cnn(CCC(F)(F)F)c2)cc1 ZINC000182218634 822153362 /nfs/dbraw/zinc/15/33/62/822153362.db2.gz OZMITEXWXOZDBX-HNNXBMFYSA-N 1 0 394.441 4.462 20 0 GIADRO Cc1cccc(C[NH2+]C2(c3ccc(Br)cc3)CCOCC2)c1O ZINC000182221051 822153967 /nfs/dbraw/zinc/15/39/67/822153967.db2.gz PAMVNZGNUGELGR-UHFFFAOYSA-N 1 0 376.294 4.259 20 0 GIADRO CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)NCC[C@H](C)[NH+]2CCCCC2)c1 ZINC000182255205 822171104 /nfs/dbraw/zinc/17/11/04/822171104.db2.gz GHZUDOKVDNSCTJ-INIZCTEOSA-N 1 0 393.959 4.319 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C2(c3cccc(Cl)c3)CC2)cc1 ZINC000182257936 822172407 /nfs/dbraw/zinc/17/24/07/822172407.db2.gz ASGTUMYSEUEWRF-CQSZACIVSA-N 1 0 378.925 4.442 20 0 GIADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](c2ccc(Cl)cc2F)C(C)C)cc1 ZINC000182275549 822182512 /nfs/dbraw/zinc/18/25/12/822182512.db2.gz UDHZFCPMXADMSP-ORAYPTAESA-N 1 0 398.931 4.435 20 0 GIADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H](c2ccc(Cl)cc2F)C(C)C)c1 ZINC000182276075 822183387 /nfs/dbraw/zinc/18/33/87/822183387.db2.gz NHGXEIKQQGQFOA-DJJJIMSYSA-N 1 0 398.931 4.435 20 0 GIADRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)c1 ZINC000182344852 822209583 /nfs/dbraw/zinc/20/95/83/822209583.db2.gz VJLIXVHFTSFHHP-NWDGAFQWSA-N 1 0 382.382 4.097 20 0 GIADRO Cc1cccc(C)c1OCCC(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000182353380 822211672 /nfs/dbraw/zinc/21/16/72/822211672.db2.gz LDHXXDAAPMSITO-UHFFFAOYSA-N 1 0 395.547 4.241 20 0 GIADRO C[C@H](NC(=O)NCc1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182353150 822211737 /nfs/dbraw/zinc/21/17/37/822211737.db2.gz ZWIVZGAKNHFVPL-GOEBONIOSA-N 1 0 383.458 4.158 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)CCc3cc(F)ccc3F)cc2)CC1 ZINC000182368971 822217686 /nfs/dbraw/zinc/21/76/86/822217686.db2.gz UMTRDHVVCFHQKU-UHFFFAOYSA-N 1 0 387.474 4.067 20 0 GIADRO C[C@@H](Cc1ccccc1F)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000182371278 822218477 /nfs/dbraw/zinc/21/84/77/822218477.db2.gz YQSCVQHWMPCUOR-KRWDZBQOSA-N 1 0 383.511 4.173 20 0 GIADRO Cc1cccc2[nH]cc(CC(=O)Nc3ccc(N4CCC([NH+](C)C)CC4)cc3)c21 ZINC000182371716 822218840 /nfs/dbraw/zinc/21/88/40/822218840.db2.gz NWWCIQXOMOEBTR-UHFFFAOYSA-N 1 0 390.531 4.188 20 0 GIADRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)c1 ZINC000182396925 822228805 /nfs/dbraw/zinc/22/88/05/822228805.db2.gz MCZFCNYMPVNYEJ-GHMZBOCLSA-N 1 0 383.275 4.385 20 0 GIADRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)c1 ZINC000182437443 822242794 /nfs/dbraw/zinc/24/27/94/822242794.db2.gz KMWDGAHHAAAKMB-QWRGUYRKSA-N 1 0 383.275 4.385 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3cc(Cl)c(Cl)[nH]3)cc2)CC1 ZINC000182455403 822249067 /nfs/dbraw/zinc/24/90/67/822249067.db2.gz XFVBMDABTKDCHX-UHFFFAOYSA-N 1 0 381.307 4.104 20 0 GIADRO CC[C@H]([NH2+]CCCCCCN1C(=O)c2ccccc2C1=O)c1c(C)noc1C ZINC000182469627 822255277 /nfs/dbraw/zinc/25/52/77/822255277.db2.gz HDJZIZJPFKYZIS-IBGZPJMESA-N 1 0 383.492 4.189 20 0 GIADRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)C(=O)N[C@H](C)c2cccc3ccccc32)c1 ZINC000182469901 822255330 /nfs/dbraw/zinc/25/53/30/822255330.db2.gz LKTCYNUGIGDQQQ-IKGGRYGDSA-N 1 0 392.499 4.471 20 0 GIADRO FC(F)(F)Oc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1N1CCOCC1)CC2 ZINC000177965261 822260973 /nfs/dbraw/zinc/26/09/73/822260973.db2.gz PWMHCKYDJAANER-IBGZPJMESA-N 1 0 392.421 4.199 20 0 GIADRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(Cl)cc1)c1cccc(OC(F)F)c1 ZINC000177969104 822261887 /nfs/dbraw/zinc/26/18/87/822261887.db2.gz PZPMSSCRZJNRJS-GFCCVEGCSA-N 1 0 389.851 4.066 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCSc2c(F)cccc21)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000177971858 822263442 /nfs/dbraw/zinc/26/34/42/822263442.db2.gz WXODKQZDOPVVNV-BZNIZROVSA-N 1 0 383.485 4.256 20 0 GIADRO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2cc(Br)c(F)cc2Cl)C1 ZINC000177989082 822271637 /nfs/dbraw/zinc/27/16/37/822271637.db2.gz KMZQPBHXUURZFU-SNVBAGLBSA-N 1 0 392.700 4.190 20 0 GIADRO COc1cc([C@@H](C)[NH2+]Cc2cccc(CN3CCCC3=O)c2)ccc1SC ZINC000177995192 822275690 /nfs/dbraw/zinc/27/56/90/822275690.db2.gz QAGPAOBVGMIISR-MRXNPFEDSA-N 1 0 384.545 4.390 20 0 GIADRO Fc1ccc(F)c(C[N@@H+]2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)c1 ZINC000177997765 822275986 /nfs/dbraw/zinc/27/59/86/822275986.db2.gz BYIXQPDKYXUHAQ-LBPRGKRZSA-N 1 0 396.363 4.406 20 0 GIADRO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@@H+]1CCCOCc1ccccc1 ZINC000182524846 822282460 /nfs/dbraw/zinc/28/24/60/822282460.db2.gz YUBLXIDRBGRGFL-NRFANRHFSA-N 1 0 382.504 4.013 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+]CC(=O)Nc2ccccc2SC(F)F)c1 ZINC000182526505 822283676 /nfs/dbraw/zinc/28/36/76/822283676.db2.gz UQQHOYFYOXZVSF-LBPRGKRZSA-N 1 0 393.459 4.249 20 0 GIADRO C[C@@H]([NH2+]C1CCN(C(=O)c2ccccc2F)CC1)c1ccc2ccccc2n1 ZINC000178017771 822283707 /nfs/dbraw/zinc/28/37/07/822283707.db2.gz YLFGYSHHJKWNSJ-MRXNPFEDSA-N 1 0 377.463 4.329 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(Oc3cccc(OC)c3)cc2)C1 ZINC000178019613 822285200 /nfs/dbraw/zinc/28/52/00/822285200.db2.gz HRNZQNSFRXXOCL-QGZVFWFLSA-N 1 0 383.492 4.293 20 0 GIADRO COc1cc([C@@H](C)[NH2+]CCNC(=O)c2ccccc2)ccc1SC(F)F ZINC000178023612 822286887 /nfs/dbraw/zinc/28/68/87/822286887.db2.gz RNZFKNWBIWXUGU-CYBMUJFWSA-N 1 0 380.460 4.091 20 0 GIADRO COc1cc([C@H](C)[NH2+]CCc2ccc3ccccc3c2)ccc1S(C)(=O)=O ZINC000178025650 822288263 /nfs/dbraw/zinc/28/82/63/822288263.db2.gz WCHIRRDUGYEEOY-INIZCTEOSA-N 1 0 383.513 4.145 20 0 GIADRO CC[C@@H]([NH2+]Cc1ccc(OCC(N)=O)c(OC)c1)c1ccc(Cl)cc1Cl ZINC000178029187 822289550 /nfs/dbraw/zinc/28/95/50/822289550.db2.gz DVMDOCSHEOVEDV-MRXNPFEDSA-N 1 0 397.302 4.107 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)c1 ZINC000182537493 822289599 /nfs/dbraw/zinc/28/95/99/822289599.db2.gz OZHARURGGOUUCP-CABCVRRESA-N 1 0 387.911 4.169 20 0 GIADRO CC[C@@H]([NH2+]Cc1ccc(OCC(N)=O)c(OC)c1)c1ccc(Cl)c(Cl)c1 ZINC000178028158 822289722 /nfs/dbraw/zinc/28/97/22/822289722.db2.gz UDLUDYQEHGIXJR-MRXNPFEDSA-N 1 0 397.302 4.107 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(OCc3ccccc3C)c2)C1 ZINC000178035253 822292119 /nfs/dbraw/zinc/29/21/19/822292119.db2.gz HFDZBBMFLYITKX-IBGZPJMESA-N 1 0 381.520 4.380 20 0 GIADRO COc1cc(C)c([C@H](C)[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)cc1OC ZINC000178036342 822292787 /nfs/dbraw/zinc/29/27/87/822292787.db2.gz CAWRMMJKZXMGLO-HOTGVXAUSA-N 1 0 384.476 4.381 20 0 GIADRO CC(=O)c1ccc(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1Cl ZINC000182543963 822293750 /nfs/dbraw/zinc/29/37/50/822293750.db2.gz RORMVCGWUCDBPS-QGZVFWFLSA-N 1 0 375.856 4.094 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CC(=O)N[C@@H](c2cccs2)C(C)(C)C)c1 ZINC000182546082 822295150 /nfs/dbraw/zinc/29/51/50/822295150.db2.gz ZTIKQHIMQWKOKE-VLIAUNLRSA-N 1 0 387.549 4.261 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(COCc3ccccc3)cc2)C1 ZINC000178041028 822295422 /nfs/dbraw/zinc/29/54/22/822295422.db2.gz WJMVCDUDWZCQKV-OAQYLSRUSA-N 1 0 381.520 4.209 20 0 GIADRO O[C@@H](CCc1ccccc1)C[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000182552287 822298126 /nfs/dbraw/zinc/29/81/26/822298126.db2.gz ISBONSVXBHKEDB-HOTGVXAUSA-N 1 0 384.467 4.335 20 0 GIADRO CC(C)[NH+]1CCC(C(=O)N2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000178046576 822298320 /nfs/dbraw/zinc/29/83/20/822298320.db2.gz PJQQDGYFCRNTEE-MRXNPFEDSA-N 1 0 385.335 4.094 20 0 GIADRO COc1cccc2[nH]cc(CC(=O)Nc3cc(C[NH+]4CCCC4)ccc3C)c21 ZINC000182552654 822298464 /nfs/dbraw/zinc/29/84/64/822298464.db2.gz PEUZUSAJTLNVAN-UHFFFAOYSA-N 1 0 377.488 4.262 20 0 GIADRO CCN(CC)C(=O)CCC1CC[NH+]([C@@H](C)c2nc(-c3ccccc3C)no2)CC1 ZINC000182562159 822303665 /nfs/dbraw/zinc/30/36/65/822303665.db2.gz UZNNTGDLSJSKAP-SFHVURJKSA-N 1 0 398.551 4.467 20 0 GIADRO C[C@H]([NH2+]CC(=O)N1[C@H](C)CCC[C@@H]1C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000182563550 822304095 /nfs/dbraw/zinc/30/40/95/822304095.db2.gz NAJJAVBKGUVSCM-OTWHNJEPSA-N 1 0 393.531 4.379 20 0 GIADRO CCN(CC)C(=O)CCC[NH2+][C@H]1CCSc2ccc(Br)cc21 ZINC000178078466 822310998 /nfs/dbraw/zinc/31/09/98/822310998.db2.gz YTBRSMARWINUOO-HNNXBMFYSA-N 1 0 385.371 4.224 20 0 GIADRO CCN(CC)C(=O)CCC[NH2+][C@@H]1CCSc2ccc(Br)cc21 ZINC000178078456 822311207 /nfs/dbraw/zinc/31/12/07/822311207.db2.gz YTBRSMARWINUOO-OAHLLOKOSA-N 1 0 385.371 4.224 20 0 GIADRO CC[C@H]([NH2+]C[C@H](O)COc1ccc(C(C)=O)cc1OC)c1cccc(Cl)c1 ZINC000182585799 822312810 /nfs/dbraw/zinc/31/28/10/822312810.db2.gz FKMZMUFXNXJEMO-OALUTQOASA-N 1 0 391.895 4.032 20 0 GIADRO C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CCSc4c(F)cccc43)cn2)C[C@H](C)O1 ZINC000178085217 822312991 /nfs/dbraw/zinc/31/29/91/822312991.db2.gz CLPQDMLASZLDAO-ZRGWGRIASA-N 1 0 387.524 4.161 20 0 GIADRO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000178103173 822320638 /nfs/dbraw/zinc/32/06/38/822320638.db2.gz QDTONYTZRMFVCC-GCJKJVERSA-N 1 0 395.547 4.037 20 0 GIADRO Cc1ccc(OCCCC(=O)Nc2ccc(C[NH2+][C@@H](C)[C@H]3CCOC3)cc2)cc1 ZINC000178114521 822324371 /nfs/dbraw/zinc/32/43/71/822324371.db2.gz GXXCUWJYRVSZRZ-FPOVZHCZSA-N 1 0 396.531 4.307 20 0 GIADRO C[C@@H]([NH2+]CCS(C)(=O)=O)c1ccc(-c2ccc(C(F)(F)F)cc2)s1 ZINC000178135286 822329202 /nfs/dbraw/zinc/32/92/02/822329202.db2.gz VEVIFSFHJOMZDP-LLVKDONJSA-N 1 0 377.453 4.129 20 0 GIADRO O=C(Nc1ccccc1C(=O)NCCC[NH+]1CCCCC1)OCc1ccccc1 ZINC000182628104 822329418 /nfs/dbraw/zinc/32/94/18/822329418.db2.gz FTLYXCHJVUTKJW-UHFFFAOYSA-N 1 0 395.503 4.041 20 0 GIADRO COc1cc(OC)c(NC(=O)C[NH2+][C@@H](C)c2cc3ccccc3o2)cc1Cl ZINC000182633413 822332209 /nfs/dbraw/zinc/33/22/09/822332209.db2.gz AYYIKPMROMDCRL-LBPRGKRZSA-N 1 0 388.851 4.393 20 0 GIADRO CCC[N@H+](CCC(=O)c1ccc(F)cc1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000182637645 822334061 /nfs/dbraw/zinc/33/40/61/822334061.db2.gz DTNXLTHEBNCALQ-UHFFFAOYSA-N 1 0 396.506 4.415 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]Cc2cccc(Br)c2)cc1 ZINC000178163077 822337444 /nfs/dbraw/zinc/33/74/44/822337444.db2.gz LKYPPOPJMACCQF-ZDUSSCGKSA-N 1 0 397.338 4.062 20 0 GIADRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]Cc1cccc(Br)c1 ZINC000178162324 822337560 /nfs/dbraw/zinc/33/75/60/822337560.db2.gz DMNFTYOYOASDDC-NSHDSACASA-N 1 0 382.689 4.004 20 0 GIADRO C[C@H](NC(=O)NCc1ccccc1OC1CCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182646855 822337441 /nfs/dbraw/zinc/33/74/41/822337441.db2.gz YZCOSCMORUZFBP-PKOBYXMFSA-N 1 0 385.552 4.070 20 0 GIADRO CCOc1cccc2cc([C@@H](C)[NH2+]CCC(=O)Nc3cc(N)ccc3F)oc21 ZINC000182654676 822340421 /nfs/dbraw/zinc/34/04/21/822340421.db2.gz INWOARCPWXMENL-CYBMUJFWSA-N 1 0 385.439 4.232 20 0 GIADRO C[C@@H]([NH2+]CCNC(=O)c1ccccc1Cl)c1cccc(-c2ccncc2)c1 ZINC000178173058 822341517 /nfs/dbraw/zinc/34/15/17/822341517.db2.gz DEVZVHDFZLTFNP-MRXNPFEDSA-N 1 0 379.891 4.483 20 0 GIADRO CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000182669297 822345340 /nfs/dbraw/zinc/34/53/40/822345340.db2.gz CLHLKOYZKXWEJW-GHTZIAJQSA-N 1 0 397.567 4.167 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](c1ccccc1Cl)N(C)C)c1cccc(N2CCOC2=O)c1 ZINC000178187639 822346445 /nfs/dbraw/zinc/34/64/45/822346445.db2.gz USRDETQFFCCJPT-QRWLVFNGSA-N 1 0 387.911 4.250 20 0 GIADRO COc1cc([C@@H](C)[NH2+]C[C@H](c2ccccc2Cl)N(C)C)cc(OC)c1OC ZINC000178188288 822347206 /nfs/dbraw/zinc/34/72/06/822347206.db2.gz SKDSWMCGNPRUKB-RDTXWAMCSA-N 1 0 392.927 4.319 20 0 GIADRO Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000178191075 822347719 /nfs/dbraw/zinc/34/77/19/822347719.db2.gz LLHDXEAPYWKDAC-GOEBONIOSA-N 1 0 397.523 4.367 20 0 GIADRO C[C@@H](NC(=O)C1(c2ccccc2)CC[NH2+]CC1)c1cccc(OC(F)(F)F)c1 ZINC000178194976 822348774 /nfs/dbraw/zinc/34/87/74/822348774.db2.gz LQPNUYZMCNJYJG-OAHLLOKOSA-N 1 0 392.421 4.084 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@@H]2CCCN(c3ncccn3)C2)ccc1SC(F)F ZINC000178195738 822349253 /nfs/dbraw/zinc/34/92/53/822349253.db2.gz KDQUGEOVRKBBKB-DZGCQCFKSA-N 1 0 394.491 4.120 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]CCC(=O)N1CCCCC1 ZINC000178198607 822349920 /nfs/dbraw/zinc/34/99/20/822349920.db2.gz XRSUEEYWDNMDAO-CQSZACIVSA-N 1 0 375.513 4.311 20 0 GIADRO C[C@@H](CCNC(=O)N(Cc1ccco1)Cc1cccs1)[NH+]1CCCCC1 ZINC000182681179 822350040 /nfs/dbraw/zinc/35/00/40/822350040.db2.gz SGROVKONAJSGON-KRWDZBQOSA-N 1 0 375.538 4.317 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1F)c1ccc(Br)s1 ZINC000178201298 822350831 /nfs/dbraw/zinc/35/08/31/822350831.db2.gz ATVMKJFJIJLXMY-SSDOTTSWSA-N 1 0 393.228 4.217 20 0 GIADRO C[C@@H]([NH2+]CCCCOc1cccc(C(F)(F)F)c1)c1nnc2ccccn21 ZINC000182688732 822351950 /nfs/dbraw/zinc/35/19/50/822351950.db2.gz ZIWLFMLDYNVHGE-CQSZACIVSA-N 1 0 378.398 4.258 20 0 GIADRO C[C@H]([NH2+]CCCCOc1ccccc1C(F)(F)F)c1nnc2ccccn21 ZINC000182689151 822352186 /nfs/dbraw/zinc/35/21/86/822352186.db2.gz CLQYHSGYFZMWFD-AWEZNQCLSA-N 1 0 378.398 4.258 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@@H](C)c2cn(C)nc2C)ccc1OCc1ccncc1 ZINC000178214163 822354374 /nfs/dbraw/zinc/35/43/74/822354374.db2.gz BDZIFKBXPUUVPW-CVEARBPZSA-N 1 0 380.492 4.123 20 0 GIADRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](CCC(=O)c2ccc(F)cc2)C1 ZINC000182701067 822354909 /nfs/dbraw/zinc/35/49/09/822354909.db2.gz MHQFGLFZMRZGOU-DOTOQJQBSA-N 1 0 378.488 4.024 20 0 GIADRO CC[C@H]([NH2+]C1CCN(c2ccccc2OC)CC1)c1ccc2c(c1)OCCO2 ZINC000178229896 822356602 /nfs/dbraw/zinc/35/66/02/822356602.db2.gz CITVLPROSRCBQF-IBGZPJMESA-N 1 0 382.504 4.176 20 0 GIADRO C[C@H]([NH2+]CCc1ccc2c(c1)CCO2)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000178235454 822357254 /nfs/dbraw/zinc/35/72/54/822357254.db2.gz FYLAJCQMGPCNQY-KRWDZBQOSA-N 1 0 399.556 4.231 20 0 GIADRO CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000178243702 822358061 /nfs/dbraw/zinc/35/80/61/822358061.db2.gz SMNQRCDNJLMQFD-LIRRHRJNSA-N 1 0 387.911 4.143 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@H]1c1ccc(F)cc1 ZINC000045029588 822358163 /nfs/dbraw/zinc/35/81/63/822358163.db2.gz KPPBXVVFFFKQBA-QFIPXVFZSA-N 1 0 381.495 4.337 20 0 GIADRO CC[C@H]([NH2+][C@@H]1CCO[C@H](c2nccn2C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000453405439 822358461 /nfs/dbraw/zinc/35/84/61/822358461.db2.gz SNBJDEJGZOGBHS-PVAVHDDUSA-N 1 0 383.414 4.280 20 0 GIADRO Cn1ccnc1[C@H]1C[C@H]([NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)CCO1 ZINC000453407255 822358593 /nfs/dbraw/zinc/35/85/93/822358593.db2.gz UNFOCHQROUORFJ-WOJBJXKFSA-N 1 0 383.442 4.298 20 0 GIADRO C[C@H](CCc1ccco1)NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000045035799 822359010 /nfs/dbraw/zinc/35/90/10/822359010.db2.gz AEAWYYXGFNKXCP-MRXNPFEDSA-N 1 0 389.927 4.218 20 0 GIADRO Brc1ccc2c(c1)[C@@H](NC1CC[NH+](CC3CC3)CC1)CCCO2 ZINC000178253825 822359082 /nfs/dbraw/zinc/35/90/82/822359082.db2.gz ADAVJAVFWXIOTE-SFHVURJKSA-N 1 0 379.342 4.127 20 0 GIADRO CSc1ccc(C)c(C(=O)N2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000178257815 822359856 /nfs/dbraw/zinc/35/98/56/822359856.db2.gz WLCIDEDFSXAQLY-QZTJIDSGSA-N 1 0 390.593 4.068 20 0 GIADRO CC(C)c1c(C(=O)NC[C@H](c2cccs2)[NH+](C)C)cnn1-c1ccccc1 ZINC000045053607 822359836 /nfs/dbraw/zinc/35/98/36/822359836.db2.gz ADGSRPJVMNMCFB-GOSISDBHSA-N 1 0 382.533 4.090 20 0 GIADRO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)C[C@H](C)O1 ZINC000178258526 822360078 /nfs/dbraw/zinc/36/00/78/822360078.db2.gz UZDNLKUUWWUIJZ-IYBDPMFKSA-N 1 0 398.469 4.057 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@H](C)c2ccc3c(c2)OCCO3)cc1Cn1cccn1 ZINC000178268962 822361241 /nfs/dbraw/zinc/36/12/41/822361241.db2.gz ZUAYOXNACXQQEX-DLBZAZTESA-N 1 0 393.487 4.123 20 0 GIADRO CC(C)c1ccc(SCC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000045110344 822363195 /nfs/dbraw/zinc/36/31/95/822363195.db2.gz VHHNMGOOGFBOKA-UHFFFAOYSA-N 1 0 383.561 4.293 20 0 GIADRO CC[C@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1ccccc1OC(F)F ZINC000178287887 822363550 /nfs/dbraw/zinc/36/35/50/822363550.db2.gz GDEFNMRBRPNQRC-KRWDZBQOSA-N 1 0 383.460 4.074 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)[C@H](C)c1nc2ccccc2s1 ZINC000178287070 822363666 /nfs/dbraw/zinc/36/36/66/822363666.db2.gz BRCYBRNTAYBJJF-LSDHHAIUSA-N 1 0 388.558 4.123 20 0 GIADRO Cc1cc([C@H](C)[NH2+]CC(=O)Nc2c(C)nn(-c3ccccc3)c2C)c(C)s1 ZINC000182762207 822363866 /nfs/dbraw/zinc/36/38/66/822363866.db2.gz DHXNPAQALIPUDU-AWEZNQCLSA-N 1 0 382.533 4.457 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)NCc1coc(-c2cccs2)n1 ZINC000045132711 822364899 /nfs/dbraw/zinc/36/48/99/822364899.db2.gz RGTXDVRLLPVJHX-UHFFFAOYSA-N 1 0 398.532 4.244 20 0 GIADRO CC[N@@H+](c1ccc(N[C@H](C)c2ccc(S(=O)(=O)NC)cc2)cc1)C(C)C ZINC000182773330 822365435 /nfs/dbraw/zinc/36/54/35/822365435.db2.gz HDFWTCAXAQWJTC-MRXNPFEDSA-N 1 0 375.538 4.003 20 0 GIADRO CCCCNC(=O)c1ccc(C[NH2+]Cc2ccc(Br)c(F)c2)cc1 ZINC000178309956 822366029 /nfs/dbraw/zinc/36/60/29/822366029.db2.gz QPMOPRULUSANBS-UHFFFAOYSA-N 1 0 393.300 4.408 20 0 GIADRO Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(SCC(F)F)cc1 ZINC000453452946 822366242 /nfs/dbraw/zinc/36/62/42/822366242.db2.gz SONPUXCXVPJZNZ-JSGCOSHPSA-N 1 0 379.476 4.425 20 0 GIADRO COc1cc(OC)c(OC)cc1C[NH2+][C@@H](C)c1sc(-c2cccnc2)nc1C ZINC000178316866 822366737 /nfs/dbraw/zinc/36/67/37/822366737.db2.gz RVYNKKHIEGORDD-ZDUSSCGKSA-N 1 0 399.516 4.390 20 0 GIADRO O=C(N[C@H](c1ccco1)c1ccccc1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000045155996 822367017 /nfs/dbraw/zinc/36/70/17/822367017.db2.gz SDGDUEQUFRVGCS-QHCPKHFHSA-N 1 0 389.499 4.287 20 0 GIADRO C[NH+](C)CCN(Cc1ccccc1)C(=O)N[C@@H](c1ccco1)c1ccccc1 ZINC000045156474 822367203 /nfs/dbraw/zinc/36/72/03/822367203.db2.gz DAJDYBDEWOVGDD-JOCHJYFZSA-N 1 0 377.488 4.142 20 0 GIADRO CC[NH+](CC)CCCC1CCN([C@@H](C)C(=O)Nc2c(F)cccc2F)CC1 ZINC000182785745 822367296 /nfs/dbraw/zinc/36/72/96/822367296.db2.gz KQWKINKSNNANAO-INIZCTEOSA-N 1 0 381.511 4.126 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1cccnc1C ZINC000453457490 822367553 /nfs/dbraw/zinc/36/75/53/822367553.db2.gz VNTDTJJTILEHML-ZBFHGGJFSA-N 1 0 380.517 4.500 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)NCc1cc(-c2ccccc2)no1 ZINC000045184765 822368461 /nfs/dbraw/zinc/36/84/61/822368461.db2.gz RGIKHUFZRPLRAP-UHFFFAOYSA-N 1 0 392.503 4.183 20 0 GIADRO COC(=O)c1c(C[N@H+](C)C[C@H]2CCOC2)nc2ccccc2c1-c1ccccc1 ZINC000178340422 822369041 /nfs/dbraw/zinc/36/90/41/822369041.db2.gz HGQLGDWHFWHGGZ-QGZVFWFLSA-N 1 0 390.483 4.157 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cc2ccccc2o1 ZINC000178351710 822370456 /nfs/dbraw/zinc/37/04/56/822370456.db2.gz KZABAKNMROTTGY-KRWDZBQOSA-N 1 0 398.528 4.458 20 0 GIADRO CCCC[C@H]([NH2+][C@@H](C)c1cn(C)nc1C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000178362167 822371397 /nfs/dbraw/zinc/37/13/97/822371397.db2.gz BCEZSTOZEZXCOC-JTSKRJEESA-N 1 0 397.567 4.177 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@@H]1CCSc2ccc(F)cc21 ZINC000045234084 822371841 /nfs/dbraw/zinc/37/18/41/822371841.db2.gz CKPXVZGYACBAGL-CRAIPNDOSA-N 1 0 379.545 4.316 20 0 GIADRO C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)[C@H](C[NH3+])c2ccccc2)cc1Cl ZINC000178391457 822374657 /nfs/dbraw/zinc/37/46/57/822374657.db2.gz WNSZWCUXSZBEOU-HNAYVOBHSA-N 1 0 399.922 4.036 20 0 GIADRO C[C@@H](NC(=O)Nc1cccc(Cl)c1N(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182834055 822375256 /nfs/dbraw/zinc/37/52/56/822375256.db2.gz RETAOGKMOVIBDF-CABCVRRESA-N 1 0 378.948 4.181 20 0 GIADRO CCC(=O)c1cccc(NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000178413783 822377001 /nfs/dbraw/zinc/37/70/01/822377001.db2.gz DXAXUYQQQCRSCA-UHFFFAOYSA-N 1 0 379.504 4.108 20 0 GIADRO O=C(Nc1ccc(SC(F)F)cc1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000178426399 822378054 /nfs/dbraw/zinc/37/80/54/822378054.db2.gz PURKQXGAAKARTI-DYVFJYSZSA-N 1 0 381.492 4.482 20 0 GIADRO CCn1cnnc1-c1cccc(N[C@H](C)c2cccc(OCC[NH+](C)C)c2)c1 ZINC000182853955 822379262 /nfs/dbraw/zinc/37/92/62/822379262.db2.gz KVEKCMDUYLSXBA-QGZVFWFLSA-N 1 0 379.508 4.079 20 0 GIADRO C[C@@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1cnn(C)c1 ZINC000178449386 822380034 /nfs/dbraw/zinc/38/00/34/822380034.db2.gz HCQPQQQDLICWAB-MRXNPFEDSA-N 1 0 375.451 4.263 20 0 GIADRO CC(C)n1ncc2ccc(NC(=O)N3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cc21 ZINC000178449277 822380101 /nfs/dbraw/zinc/38/01/01/822380101.db2.gz QAEKPWOKTXAKPD-XLIONFOSSA-N 1 0 381.524 4.098 20 0 GIADRO C[C@H]([NH2+][C@H]1CCCc2nc(-c3ccc(F)cc3)sc21)C(=O)N1CCCCC1 ZINC000178466166 822381933 /nfs/dbraw/zinc/38/19/33/822381933.db2.gz FEPJVYBKDPVOOS-YOEHRIQHSA-N 1 0 387.524 4.317 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21)C(=O)N1CCCCC1 ZINC000178466145 822381953 /nfs/dbraw/zinc/38/19/53/822381953.db2.gz FEPJVYBKDPVOOS-WMLDXEAASA-N 1 0 387.524 4.317 20 0 GIADRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+][C@H](C)C(=O)N3CCCCC3)s2)cc1 ZINC000178465540 822381960 /nfs/dbraw/zinc/38/19/60/822381960.db2.gz YREYQVDLAZRCSH-GDBMZVCRSA-N 1 0 387.549 4.179 20 0 GIADRO C[C@H](NC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182875463 822383955 /nfs/dbraw/zinc/38/39/55/822383955.db2.gz NHJJBYRPIMDDJD-KSMMKXTCSA-N 1 0 399.362 4.186 20 0 GIADRO CC(=O)Nc1ccc(C[NH2+][C@@H]2CCCOc3cc(Br)ccc32)cc1 ZINC000178486822 822384273 /nfs/dbraw/zinc/38/42/73/822384273.db2.gz BGYOJELKDFRBIW-GOSISDBHSA-N 1 0 389.293 4.411 20 0 GIADRO COc1ccc(Cl)cc1CN(C)C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182878576 822384523 /nfs/dbraw/zinc/38/45/23/822384523.db2.gz OJSWIDCCVYTEFH-CVEARBPZSA-N 1 0 393.959 4.143 20 0 GIADRO COc1cc([C@@H](C)[NH2+]Cc2ccc(Cn3cccn3)cc2)ccc1OC(F)F ZINC000178502543 822385681 /nfs/dbraw/zinc/38/56/81/822385681.db2.gz OMHWQFNPSAVQOM-OAHLLOKOSA-N 1 0 387.430 4.392 20 0 GIADRO O=C(NCc1ccccc1OC(F)F)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000045412294 822385946 /nfs/dbraw/zinc/38/59/46/822385946.db2.gz KZMDSDRFMGCXSM-UHFFFAOYSA-N 1 0 395.494 4.086 20 0 GIADRO CCC[C@H]1CN(C(=O)Nc2ccccc2COC)CC[N@@H+]1Cc1ccccc1 ZINC000182887489 822386378 /nfs/dbraw/zinc/38/63/78/822386378.db2.gz NFHSQEHLZSQYLW-NRFANRHFSA-N 1 0 381.520 4.351 20 0 GIADRO CC[C@H](NC(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)c1cccc(Cl)c1 ZINC000453574509 822386668 /nfs/dbraw/zinc/38/66/68/822386668.db2.gz RBSLNLGSESVEDG-VQTJNVASSA-N 1 0 399.922 4.095 20 0 GIADRO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CCCc1nnc2n1CCCCC2 ZINC000178527688 822388113 /nfs/dbraw/zinc/38/81/13/822388113.db2.gz LAYWPJSRXCOIAY-AWEZNQCLSA-N 1 0 375.586 4.350 20 0 GIADRO C[C@H]([NH2+]CCCc1nnc2n1CCCCC2)c1cccc(OC(F)(F)F)c1 ZINC000178529108 822388292 /nfs/dbraw/zinc/38/82/92/822388292.db2.gz XMLXQHRASVCWMH-AWEZNQCLSA-N 1 0 382.430 4.187 20 0 GIADRO Cc1cc(Br)c(C[NH2+]Cc2ccccc2CN2CCCC2=O)s1 ZINC000453583256 822388436 /nfs/dbraw/zinc/38/84/36/822388436.db2.gz NRCNKIQTLIIPQE-UHFFFAOYSA-N 1 0 393.350 4.231 20 0 GIADRO C[C@H](NC(=O)c1c[nH]nc1-c1ccccc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182897958 822388443 /nfs/dbraw/zinc/38/84/43/822388443.db2.gz FDHYSOHQSYOVJK-LSDHHAIUSA-N 1 0 386.927 4.113 20 0 GIADRO C[C@H](NC(=O)CSc1nccc2ccccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182898166 822388508 /nfs/dbraw/zinc/38/85/08/822388508.db2.gz LJWYSYYHRBPZHS-WMZOPIPTSA-N 1 0 383.561 4.096 20 0 GIADRO C[C@@H]([NH2+]CC1(N[C@@H](C)c2ccccc2)CCOCC1)c1ccc2c(c1)CCO2 ZINC000178534653 822388970 /nfs/dbraw/zinc/38/89/70/822388970.db2.gz QHKGHKARVMHHNI-MOPGFXCFSA-N 1 0 380.532 4.172 20 0 GIADRO COc1cc(C[NH2+]CCC2CC(F)(F)C2)ccc1OCc1c(C)noc1C ZINC000453590413 822389668 /nfs/dbraw/zinc/38/96/68/822389668.db2.gz PCAWKBDOCDHYOK-UHFFFAOYSA-N 1 0 380.435 4.404 20 0 GIADRO Cc1cc(Br)c(C[NH2+]Cc2cccc(CN3CCCC3=O)c2)s1 ZINC000453589455 822389759 /nfs/dbraw/zinc/38/97/59/822389759.db2.gz XMKJETMAIPQDNY-UHFFFAOYSA-N 1 0 393.350 4.231 20 0 GIADRO [NH3+]C[C@@H]1CCN(C(=O)[C@@H](Sc2ccc(F)c(Cl)c2)c2ccccc2)C1 ZINC000178542934 822389867 /nfs/dbraw/zinc/38/98/67/822389867.db2.gz LMGRFYOEKBQRAD-UGSOOPFHSA-N 1 0 378.900 4.120 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000178544089 822390027 /nfs/dbraw/zinc/39/00/27/822390027.db2.gz NUEQDYISPCVMMC-KXBFYZLASA-N 1 0 379.529 4.347 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccc(C(F)(F)F)nc1Cl ZINC000178543902 822390117 /nfs/dbraw/zinc/39/01/17/822390117.db2.gz HMWVCSBAMAUEQY-LBPRGKRZSA-N 1 0 377.838 4.138 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)c2ccc(C(F)(F)F)nc2Cl)c1 ZINC000178547355 822390502 /nfs/dbraw/zinc/39/05/02/822390502.db2.gz SVHIHRBTZZQZAJ-UHFFFAOYSA-N 1 0 385.817 4.136 20 0 GIADRO Cc1nc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)sc1C ZINC000178546791 822390520 /nfs/dbraw/zinc/39/05/20/822390520.db2.gz IEKIJAJTQXEHQE-RBUKOAKNSA-N 1 0 384.549 4.278 20 0 GIADRO C[C@@H](NC(=O)Nc1ccccc1Br)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182908664 822390690 /nfs/dbraw/zinc/39/06/90/822390690.db2.gz OLIADJXOOROEIC-KGLIPLIRSA-N 1 0 380.330 4.224 20 0 GIADRO CON1CCC([N@H+](C)Cc2cn(Cc3ccccc3)nc2-c2cccs2)CC1 ZINC000453599925 822391300 /nfs/dbraw/zinc/39/13/00/822391300.db2.gz DFBJXBFYOITCPS-UHFFFAOYSA-N 1 0 396.560 4.118 20 0 GIADRO Cc1cc(C)n(-c2ccccc2NC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC000182916057 822391981 /nfs/dbraw/zinc/39/19/81/822391981.db2.gz RRUQNRLJCTYXKJ-RTBURBONSA-N 1 0 395.551 4.264 20 0 GIADRO OCc1ccc(C[NH2+][C@@H]2CCCOc3ccc(Br)cc32)cc1F ZINC000178560648 822392041 /nfs/dbraw/zinc/39/20/41/822392041.db2.gz BTZKQOCFEUSRAH-QGZVFWFLSA-N 1 0 380.257 4.084 20 0 GIADRO Cc1ccc([C@H](C)N(C)C(=O)C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)c(C)c1 ZINC000453608226 822392413 /nfs/dbraw/zinc/39/24/13/822392413.db2.gz UMMVRYAKYFDCQT-JTSKRJEESA-N 1 0 393.531 4.010 20 0 GIADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)c2ccccc2C(F)(F)F)cc1 ZINC000178575160 822393183 /nfs/dbraw/zinc/39/31/83/822393183.db2.gz WQGIZOXWWUPJFA-QWHCGFSZSA-N 1 0 386.439 4.025 20 0 GIADRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+]CCCN1CCOC1=O ZINC000178588417 822394436 /nfs/dbraw/zinc/39/44/36/822394436.db2.gz JNLUSVHBGPNMBY-GFCCVEGCSA-N 1 0 379.913 4.265 20 0 GIADRO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000453621152 822394565 /nfs/dbraw/zinc/39/45/65/822394565.db2.gz UBFGTFDPRMGJMG-XOBRGWDASA-N 1 0 399.922 4.047 20 0 GIADRO COc1ccc(CC[NH2+][C@H](C)c2ccc(OCc3nccn3C)cc2)cc1F ZINC000178594190 822394987 /nfs/dbraw/zinc/39/49/87/822394987.db2.gz NSXCJRPSVSAHDM-MRXNPFEDSA-N 1 0 383.467 4.040 20 0 GIADRO Cc1ccc2oc(C(=O)N3CC[C@@H]4[C@@H](CCC[N@@H+]4Cc4ccccc4)C3)cc2n1 ZINC000178599821 822395305 /nfs/dbraw/zinc/39/53/05/822395305.db2.gz FNQUXVYXSMHTKR-PZJWPPBQSA-N 1 0 389.499 4.263 20 0 GIADRO CO[C@@H]1CC[C@H]2OCC[N@H+](CCSc3ccnc4cc(Cl)ccc43)[C@@H]2C1 ZINC000182933768 822395493 /nfs/dbraw/zinc/39/54/93/822395493.db2.gz CLYPJKFDPCUVAM-ATZDWAIDSA-N 1 0 392.952 4.249 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)COc1cccc(C(F)(F)F)c1)c1ccc2ccccc2n1 ZINC000178621448 822396899 /nfs/dbraw/zinc/39/68/99/822396899.db2.gz OQYBGLPACFYQHC-RHSMWYFYSA-N 1 0 390.405 4.344 20 0 GIADRO CCSc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(S(=O)(=O)NC)cc2)cc1 ZINC000178621961 822396950 /nfs/dbraw/zinc/39/69/50/822396950.db2.gz BKSPRJJTBAACCO-HUUCEWRRSA-N 1 0 378.563 4.119 20 0 GIADRO CCSc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(S(=O)(=O)NC)cc2)cc1 ZINC000178621934 822396987 /nfs/dbraw/zinc/39/69/87/822396987.db2.gz BKSPRJJTBAACCO-CABCVRRESA-N 1 0 378.563 4.119 20 0 GIADRO CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@H]2CC(C)(C)c3ccccc32)cc1 ZINC000178629275 822397547 /nfs/dbraw/zinc/39/75/47/822397547.db2.gz DVENRGFFZHFLLH-NRFANRHFSA-N 1 0 386.561 4.027 20 0 GIADRO CC(C)C(=O)Nc1cccc(NC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000182947929 822398034 /nfs/dbraw/zinc/39/80/34/822398034.db2.gz YTAFBRYEKFWJDN-DLBZAZTESA-N 1 0 386.540 4.056 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CCS(=O)(=O)c1ccccc1 ZINC000178637692 822398398 /nfs/dbraw/zinc/39/83/98/822398398.db2.gz VCWPXGPOSRAYQO-OAHLLOKOSA-N 1 0 386.542 4.243 20 0 GIADRO Cc1c(C[NH2+][C@@H](C)CC(=O)Nc2cccnc2Cl)oc2ccc(F)cc12 ZINC000178641403 822398998 /nfs/dbraw/zinc/39/89/98/822398998.db2.gz PTTLHZVBISJDII-NSHDSACASA-N 1 0 375.831 4.436 20 0 GIADRO CC(C)[C@H]([NH2+][C@H](C)CC(=O)Nc1cccnc1Cl)c1nc2ccccc2[nH]1 ZINC000178644166 822399210 /nfs/dbraw/zinc/39/92/10/822399210.db2.gz RKCOSHOJWLYVHR-ACJLOTCBSA-N 1 0 385.899 4.315 20 0 GIADRO OCC[C@@H](C[NH2+][C@@H]1CCCOc2c(Br)cccc21)c1ccccc1 ZINC000178648509 822399384 /nfs/dbraw/zinc/39/93/84/822399384.db2.gz AIRRWIRZYIQLQP-QFBILLFUSA-N 1 0 390.321 4.419 20 0 GIADRO COC[C@@H]([NH2+]Cc1cccc(COC2CCOCC2)c1)c1ccc(F)c(F)c1 ZINC000182956375 822399819 /nfs/dbraw/zinc/39/98/19/822399819.db2.gz XXKCLZBVJYHWOH-JOCHJYFZSA-N 1 0 391.458 4.138 20 0 GIADRO CCn1cc(C(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)c2ccccc21 ZINC000178675096 822401844 /nfs/dbraw/zinc/40/18/44/822401844.db2.gz HWNPYBWYANMZHW-KRWDZBQOSA-N 1 0 376.504 4.012 20 0 GIADRO CC(C)OCCOCc1cccc(N[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000182971206 822401921 /nfs/dbraw/zinc/40/19/21/822401921.db2.gz JVDOLIHONSQRCN-YKSBVNFPSA-N 1 0 397.563 4.346 20 0 GIADRO C[C@@H](C(=O)Nc1ccc2nc(N3CCCC3)sc2c1)[C@@H]([NH3+])c1ccccc1 ZINC000178675453 822401953 /nfs/dbraw/zinc/40/19/53/822401953.db2.gz BSVSJQAPVAETKA-AUUYWEPGSA-N 1 0 380.517 4.171 20 0 GIADRO Cc1cc(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000178692214 822403152 /nfs/dbraw/zinc/40/31/52/822403152.db2.gz QHFAVRNWQRINQC-UHFFFAOYSA-N 1 0 398.938 4.196 20 0 GIADRO CCN(CC)C(=O)c1cccc(NC(=O)C[NH2+][C@@H](C)c2cc(C)sc2C)c1 ZINC000182979602 822403789 /nfs/dbraw/zinc/40/37/89/822403789.db2.gz WEVRHJYDDRQPCQ-HNNXBMFYSA-N 1 0 387.549 4.136 20 0 GIADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@H](c1ccccc1)c1ccncc1 ZINC000178701827 822404028 /nfs/dbraw/zinc/40/40/28/822404028.db2.gz UZABYXWOKJAIBC-FOIQADDNSA-N 1 0 380.879 4.226 20 0 GIADRO O=C(Nc1c[nH]nc1-c1ccccc1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000178703369 822404059 /nfs/dbraw/zinc/40/40/59/822404059.db2.gz GOPCWZJCZZJMRA-GOSISDBHSA-N 1 0 378.451 4.067 20 0 GIADRO C[C@H]([NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1)c1cncc(F)c1 ZINC000178712649 822404917 /nfs/dbraw/zinc/40/49/17/822404917.db2.gz FMUCFYMVDCFVCO-UONOGXRCSA-N 1 0 378.289 4.160 20 0 GIADRO CC(C)n1cc([C@@H](C)[NH2+]C[C@H]2CCN(c3ccc(Br)cc3)C2)cn1 ZINC000178712824 822405137 /nfs/dbraw/zinc/40/51/37/822405137.db2.gz FXWSPIROGBFHHZ-HZPDHXFCSA-N 1 0 391.357 4.404 20 0 GIADRO Cc1nn(C)cc1[C@@H](C)[NH2+][C@H](C)c1ccc(OC(F)F)cc1OC(F)F ZINC000178722085 822405380 /nfs/dbraw/zinc/40/53/80/822405380.db2.gz PQFRQIHINMGDOK-NXEZZACHSA-N 1 0 375.366 4.343 20 0 GIADRO CC[N@@H+]1CCC[C@H]1CNC(=S)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000045692817 822405711 /nfs/dbraw/zinc/40/57/11/822405711.db2.gz KZJWUEFGHARYMY-KRWDZBQOSA-N 1 0 385.499 4.029 20 0 GIADRO Brc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(-n3cncn3)cc1)CCCO2 ZINC000178741874 822406480 /nfs/dbraw/zinc/40/64/80/822406480.db2.gz DVWZIUPKTAZMEX-GOSISDBHSA-N 1 0 399.292 4.033 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000178741231 822406570 /nfs/dbraw/zinc/40/65/70/822406570.db2.gz KEHJAKZVZZKHMN-SWLSCSKDSA-N 1 0 397.466 4.322 20 0 GIADRO CC(C)(CNC(=S)Nc1ccc(F)cc1F)[N@@H+]1CCc2ccccc2C1 ZINC000045711394 822407024 /nfs/dbraw/zinc/40/70/24/822407024.db2.gz RUCGZSPAHQHIJB-UHFFFAOYSA-N 1 0 375.488 4.088 20 0 GIADRO Cc1nc(C(=O)OC[C@@H]2CCC[N@H+](Cc3cc(F)ccc3F)C2)c(C)s1 ZINC000178747811 822407147 /nfs/dbraw/zinc/40/71/47/822407147.db2.gz ZOSQLUKAZGYKGC-CQSZACIVSA-N 1 0 380.460 4.107 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)Nc2cc(NC(C)=O)ccc2C)CC1 ZINC000182992753 822407166 /nfs/dbraw/zinc/40/71/66/822407166.db2.gz BNTLOUALOBQPNM-UHFFFAOYSA-N 1 0 388.556 4.319 20 0 GIADRO CCC[C@H](NC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccccc1 ZINC000178765421 822408143 /nfs/dbraw/zinc/40/81/43/822408143.db2.gz JOZMEKKISONCBU-AVRDEDQJSA-N 1 0 380.536 4.448 20 0 GIADRO C[N@@H+](CC(=O)Nc1ccccc1Sc1ccc(Cl)cc1)C[C@H]1CCOC1 ZINC000178778409 822409126 /nfs/dbraw/zinc/40/91/26/822409126.db2.gz WLQNCSVQMMREBM-OAHLLOKOSA-N 1 0 390.936 4.398 20 0 GIADRO O=c1ccccn1Cc1ccc(C[NH2+]Cc2cc(F)cc(C(F)(F)F)c2)cc1 ZINC000178784312 822409572 /nfs/dbraw/zinc/40/95/72/822409572.db2.gz BCQRPLHQDJNVNI-UHFFFAOYSA-N 1 0 390.380 4.344 20 0 GIADRO COc1cc([C@@H](C)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)ccc1SC ZINC000183005978 822409927 /nfs/dbraw/zinc/40/99/27/822409927.db2.gz WACAFTRYCOQBFL-DNVCBOLYSA-N 1 0 399.560 4.040 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)N2C[C@H](C)C[C@@H]2c2cccnc2)CC1 ZINC000183009422 822410523 /nfs/dbraw/zinc/41/05/23/822410523.db2.gz CRWLFDCEVFYVKK-WZONZLPQSA-N 1 0 392.547 4.147 20 0 GIADRO Cc1c(C2CC2)nc2ccc(Br)cc2c1C(=O)NNc1cc[nH+]cc1 ZINC000183010851 822410917 /nfs/dbraw/zinc/41/09/17/822410917.db2.gz UUAJLGWVISVQPV-UHFFFAOYSA-N 1 0 397.276 4.335 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)N(C)Cc2ccc(F)cc2F)CC1 ZINC000045757433 822411006 /nfs/dbraw/zinc/41/10/06/822411006.db2.gz UIUSXKMJGBVWKZ-UHFFFAOYSA-N 1 0 387.474 4.079 20 0 GIADRO COc1ccc(C[NH2+][C@@H](C)c2ccc(OC[C@@H]3CCCCO3)c(F)c2)cc1O ZINC000178801852 822411774 /nfs/dbraw/zinc/41/17/74/822411774.db2.gz HPUHQAPVIGBJHP-YJBOKZPZSA-N 1 0 389.467 4.339 20 0 GIADRO Cc1nccn1C[C@H](C)C[NH2+][C@@H](C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000178802120 822411813 /nfs/dbraw/zinc/41/18/13/822411813.db2.gz BJBVTBCELWMSMQ-UWVAXJGDSA-N 1 0 389.515 4.265 20 0 GIADRO CC(C)c1ccc(C(=O)Nc2sccc2C(=O)N2CCC([C@H](C)[NH3+])CC2)cc1 ZINC000178804475 822411927 /nfs/dbraw/zinc/41/19/27/822411927.db2.gz QNTAHRFRFLRRKN-HNNXBMFYSA-N 1 0 399.560 4.323 20 0 GIADRO COc1ccc2cc(CNC(=O)N3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)ccc2c1 ZINC000178804262 822411979 /nfs/dbraw/zinc/41/19/79/822411979.db2.gz PRIVEXGWMREHRC-REWPJTCUSA-N 1 0 393.531 4.007 20 0 GIADRO C[N@H+](CCC(=O)Nc1cccc2ccccc21)Cc1ccc([S@@](C)=O)cc1 ZINC000178807873 822412350 /nfs/dbraw/zinc/41/23/50/822412350.db2.gz OBVKQYVSABRHQR-HHHXNRCGSA-N 1 0 380.513 4.038 20 0 GIADRO Cc1cc([C@@H]2CCCN2C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)on1 ZINC000045776851 822412384 /nfs/dbraw/zinc/41/23/84/822412384.db2.gz SEGRTJDPKNJPTP-NRFANRHFSA-N 1 0 396.535 4.262 20 0 GIADRO C[N@H+](CCC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc([S@@](C)=O)cc1 ZINC000178807943 822412449 /nfs/dbraw/zinc/41/24/49/822412449.db2.gz XGFVUONMFQUGSY-RUZDIDTESA-N 1 0 399.343 4.191 20 0 GIADRO Cc1cc([C@@H]2CCCN2C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)on1 ZINC000045780205 822412757 /nfs/dbraw/zinc/41/27/57/822412757.db2.gz KSTFIRYMYUTZEL-RXVVDRJESA-N 1 0 396.535 4.404 20 0 GIADRO COCCN(Cc1ccco1)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000045780045 822412828 /nfs/dbraw/zinc/41/28/28/822412828.db2.gz JGWQVUNBDWCWMW-LJQANCHMSA-N 1 0 399.535 4.012 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCc2ccc(O)cc2C1 ZINC000045780803 822412966 /nfs/dbraw/zinc/41/29/66/822412966.db2.gz GSZKXOGXBZWTKF-SFHVURJKSA-N 1 0 393.531 4.035 20 0 GIADRO CN(CCC[NH+](C)C)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000183024232 822413281 /nfs/dbraw/zinc/41/32/81/822413281.db2.gz PWRTYVYHCDSKED-UHFFFAOYSA-N 1 0 382.533 4.303 20 0 GIADRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1ccc(-n2cc[nH]c2=S)cc1 ZINC000178822569 822413831 /nfs/dbraw/zinc/41/38/31/822413831.db2.gz GOADILMBCDZVMQ-UHFFFAOYSA-N 1 0 392.528 4.318 20 0 GIADRO C[C@@H]1c2cc3c(cc2C2(CCCC2)C[N@H+]1C[C@H](O)c1ccccc1)OCCO3 ZINC000045793853 822414362 /nfs/dbraw/zinc/41/43/62/822414362.db2.gz WWBKCCYMQXHUIZ-UTKZUKDTSA-N 1 0 379.500 4.380 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1)C(=O)N1CCCc2ccccc21 ZINC000045812377 822415324 /nfs/dbraw/zinc/41/53/24/822415324.db2.gz AEIAMLHRSYKZCL-IRXDYDNUSA-N 1 0 391.515 4.054 20 0 GIADRO CC(C)(C)OC(=O)[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000178839438 822415384 /nfs/dbraw/zinc/41/53/84/822415384.db2.gz SINIEYGJIAUWEQ-IBGZPJMESA-N 1 0 394.515 4.346 20 0 GIADRO Cc1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)c1C ZINC000045812924 822415577 /nfs/dbraw/zinc/41/55/77/822415577.db2.gz VXODTAAGDUJLKB-SJORKVTESA-N 1 0 379.504 4.330 20 0 GIADRO O=C(CCc1ncc(-c2ccccc2)o1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000045832296 822417599 /nfs/dbraw/zinc/41/75/99/822417599.db2.gz DMTUITYLYAPSTE-UHFFFAOYSA-N 1 0 395.547 4.389 20 0 GIADRO COc1cccc([C@H](CNC(=O)C23CC4CC(CC(C4)C2)C3)[NH+]2CCCC2)c1 ZINC000045872731 822420551 /nfs/dbraw/zinc/42/05/51/822420551.db2.gz VTJXPUNHPBNALX-NIRMEOIISA-N 1 0 382.548 4.165 20 0 GIADRO CN(C(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)NNc2cc[nH+]cc2)cc1 ZINC000183075347 822421199 /nfs/dbraw/zinc/42/11/99/822421199.db2.gz KBZUYYCHVDFVNK-UHFFFAOYSA-N 1 0 395.850 4.160 20 0 GIADRO CC[NH+]1CCC(N(C)C(=O)CSc2cc(C)c(Br)cc2C)CC1 ZINC000045907883 822423101 /nfs/dbraw/zinc/42/31/01/822423101.db2.gz SZHBNIBEQRXMPL-UHFFFAOYSA-N 1 0 399.398 4.101 20 0 GIADRO Cc1cc(N(C)C)cc(C)c1NC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000178952399 822424287 /nfs/dbraw/zinc/42/42/87/822424287.db2.gz UKZSGSGFHZEAKJ-UHFFFAOYSA-N 1 0 394.563 4.198 20 0 GIADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]Cc2c(C)oc3ccccc32)cc1 ZINC000178994018 822427293 /nfs/dbraw/zinc/42/72/93/822427293.db2.gz YKSYOOFOCOBHLJ-UHFFFAOYSA-N 1 0 386.517 4.062 20 0 GIADRO COc1cc(C[NH2+][C@H]2CCOC2)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000178994890 822427580 /nfs/dbraw/zinc/42/75/80/822427580.db2.gz YNHNMTWGRXRPDP-KRWDZBQOSA-N 1 0 381.394 4.172 20 0 GIADRO CC(C)[C@@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)NCC3(C4CCC4)CCC3)c2C1 ZINC000454088282 822428042 /nfs/dbraw/zinc/42/80/42/822428042.db2.gz NKQDXJJYHMUOOV-QGZVFWFLSA-N 1 0 397.563 4.072 20 0 GIADRO c1c(C[N@H+]2CCCC[C@@H]2CCCc2ccccc2)nnn1Cc1cccnc1 ZINC000183129083 822428245 /nfs/dbraw/zinc/42/82/45/822428245.db2.gz PGYRRYNHIROLQG-HSZRJFAPSA-N 1 0 375.520 4.099 20 0 GIADRO c1c(C[N@H+]2CCCC[C@H]2CCCc2ccccc2)nnn1Cc1cccnc1 ZINC000183129066 822428270 /nfs/dbraw/zinc/42/82/70/822428270.db2.gz PGYRRYNHIROLQG-QHCPKHFHSA-N 1 0 375.520 4.099 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]CC(=O)N[C@H](c2ccccc2)C2CC2)cc1 ZINC000183138895 822429534 /nfs/dbraw/zinc/42/95/34/822429534.db2.gz YXECMROFVGEKGO-MZNJEOGPSA-N 1 0 388.515 4.099 20 0 GIADRO CC(C)Oc1cccc([C@@H](C)NC(=O)Nc2ccccc2N2CC[NH+](C)CC2)c1 ZINC000045983933 822429929 /nfs/dbraw/zinc/42/99/29/822429929.db2.gz NQSUMFMRCDPXRC-GOSISDBHSA-N 1 0 396.535 4.108 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1c(Cl)cccc1Cl)c1ccccc1-n1cccn1 ZINC000183147179 822431221 /nfs/dbraw/zinc/43/12/21/822431221.db2.gz INJTZVORJQYPPN-CYBMUJFWSA-N 1 0 389.286 4.468 20 0 GIADRO COc1cc(C[NH2+]Cc2cccc(N(C)C)n2)ccc1OCc1cccs1 ZINC000179032333 822431586 /nfs/dbraw/zinc/43/15/86/822431586.db2.gz IRNSFTFTYUZWRD-UHFFFAOYSA-N 1 0 383.517 4.087 20 0 GIADRO C[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000454130089 822431871 /nfs/dbraw/zinc/43/18/71/822431871.db2.gz AUWOEVFDWADKFP-DOTOQJQBSA-N 1 0 383.458 4.023 20 0 GIADRO CCOc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000183156871 822432793 /nfs/dbraw/zinc/43/27/93/822432793.db2.gz LQZNKXJMEPLULT-IRXDYDNUSA-N 1 0 392.503 4.257 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1)c1ccccc1-n1cccn1 ZINC000183158547 822433115 /nfs/dbraw/zinc/43/31/15/822433115.db2.gz OKOLATFJFMWRSS-CVEARBPZSA-N 1 0 398.457 4.021 20 0 GIADRO CCc1nn(C)c(OC)c1C[NH2+][C@H]1CCCc2cc(SC(F)F)ccc21 ZINC000183159431 822433299 /nfs/dbraw/zinc/43/32/99/822433299.db2.gz DBWMTNOGAZMRPK-KRWDZBQOSA-N 1 0 381.492 4.473 20 0 GIADRO CCc1nn(C)c(OC)c1C[NH2+][C@@H]1CCCc2cc(SC(F)F)ccc21 ZINC000183159414 822433313 /nfs/dbraw/zinc/43/33/13/822433313.db2.gz DBWMTNOGAZMRPK-QGZVFWFLSA-N 1 0 381.492 4.473 20 0 GIADRO Cc1cc(C[NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)c(OC(F)F)cc1C ZINC000179050284 822433468 /nfs/dbraw/zinc/43/34/68/822433468.db2.gz UOQZFHSVZONCOA-SFHVURJKSA-N 1 0 388.458 4.043 20 0 GIADRO COC(=O)c1cc2cc(C[NH2+][C@H](C)c3ccccc3-n3cccn3)ccc2o1 ZINC000183164157 822433941 /nfs/dbraw/zinc/43/39/41/822433941.db2.gz HKFYRYPWMPSYSW-OAHLLOKOSA-N 1 0 375.428 4.256 20 0 GIADRO Cc1c(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cnn1C ZINC000179057158 822434133 /nfs/dbraw/zinc/43/41/33/822434133.db2.gz TWYJKCBMGVFCCT-UHFFFAOYSA-N 1 0 375.451 4.010 20 0 GIADRO Fc1cc2cccnc2c(C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)c1 ZINC000183170689 822435026 /nfs/dbraw/zinc/43/50/26/822435026.db2.gz IBRAUKWAMNOFKQ-UHFFFAOYSA-N 1 0 378.373 4.426 20 0 GIADRO C[S@@](=O)C[C@H]([NH2+]Cc1cccc(NC(=O)OC(C)(C)C)c1)c1ccccc1 ZINC000183176064 822435811 /nfs/dbraw/zinc/43/58/11/822435811.db2.gz CFQPEKQXAZSEQT-UZTOHYMASA-N 1 0 388.533 4.243 20 0 GIADRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1csc(-c2cccc(Br)c2)n1 ZINC000179085626 822436756 /nfs/dbraw/zinc/43/67/56/822436756.db2.gz FTIKTIJCIFIKLW-WBMJQRKESA-N 1 0 381.339 4.308 20 0 GIADRO C[C@H]([NH2+]Cc1cnc(-c2ccccc2)[nH]1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000179090344 822437051 /nfs/dbraw/zinc/43/70/51/822437051.db2.gz GTWYQZCWFRZOSK-FDDCHVKYSA-N 1 0 391.515 4.492 20 0 GIADRO COCc1c(C(=O)NC2CC[NH+](CC(C)C)CC2)sc2cccc(F)c21 ZINC000046049730 822438136 /nfs/dbraw/zinc/43/81/36/822438136.db2.gz XAQLOTFSEKFHBZ-UHFFFAOYSA-N 1 0 378.513 4.037 20 0 GIADRO CCC(CC)n1nc(C(=O)Nc2ccc(N(C)C3CC[NH+](C)CC3)cc2)cc1C ZINC000183189578 822438416 /nfs/dbraw/zinc/43/84/16/822438416.db2.gz IICDGMAKJVVXIZ-UHFFFAOYSA-N 1 0 397.567 4.335 20 0 GIADRO O=C(NC1CC[NH+](C2CC2)CC1)N[C@@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC000454206619 822438827 /nfs/dbraw/zinc/43/88/27/822438827.db2.gz GWJJXZDKQOTWRY-QFBILLFUSA-N 1 0 375.944 4.292 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)c1ccc(Cl)nc1)c1ccccc1OCC(=O)N(C)C ZINC000179108848 822439170 /nfs/dbraw/zinc/43/91/70/822439170.db2.gz IWOGMJYHHGCSLY-YOEHRIQHSA-N 1 0 375.900 4.004 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)COc1cccc(Cl)c1Cl)c1ccc(Cl)nc1 ZINC000179113152 822439564 /nfs/dbraw/zinc/43/95/64/822439564.db2.gz AHBSPAVALRGLEY-JQWIXIFHSA-N 1 0 375.683 4.132 20 0 GIADRO CN(C(=O)c1sc2cccc(F)c2c1COc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000179121171 822440290 /nfs/dbraw/zinc/44/02/90/822440290.db2.gz IFKHPMHGAQJRNR-CQSZACIVSA-N 1 0 384.476 4.053 20 0 GIADRO Cc1cnc([C@@H](C)C[NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)s1 ZINC000183201396 822440524 /nfs/dbraw/zinc/44/05/24/822440524.db2.gz YQKPDWIGWLQFKM-NWDGAFQWSA-N 1 0 396.354 4.324 20 0 GIADRO Cc1cccc(NC(=O)[C@H](C)[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)c1C ZINC000183202768 822440758 /nfs/dbraw/zinc/44/07/58/822440758.db2.gz NEHCBMNCYHPRLV-HNNXBMFYSA-N 1 0 394.441 4.183 20 0 GIADRO O=C(c1cc(-c2ccccn2)ccc1Cl)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000179123417 822440774 /nfs/dbraw/zinc/44/07/74/822440774.db2.gz YJXLVVCGYQGPCV-QGZVFWFLSA-N 1 0 383.923 4.350 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)N1CCC[C@@]2(CCOC2)C1)C1CCCCC1 ZINC000454226719 822440884 /nfs/dbraw/zinc/44/08/84/822440884.db2.gz KXCBCKPKKPDUCF-HSZRJFAPSA-N 1 0 385.552 4.486 20 0 GIADRO Cc1cc(OC[C@H](O)C[N@H+](C[C@@H]2CCOC2)C2CC2)c(C(C)C)cc1Cl ZINC000046092554 822440894 /nfs/dbraw/zinc/44/08/94/822440894.db2.gz QNTKVBPKBYXSKS-FUHWJXTLSA-N 1 0 381.944 4.012 20 0 GIADRO FC(F)Oc1ccc(NC(=S)NCCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000046103169 822441112 /nfs/dbraw/zinc/44/11/12/822441112.db2.gz OEVUBJPVIQUMDG-UHFFFAOYSA-N 1 0 391.487 4.023 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)N1CC[C@H](O)CC(C)(C)C1)C1CCCCC1 ZINC000454229668 822441293 /nfs/dbraw/zinc/44/12/93/822441293.db2.gz QCPIOBLBKGJSOY-FQEVSTJZSA-N 1 0 387.568 4.466 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1ccc(Cl)nc1 ZINC000179132539 822441422 /nfs/dbraw/zinc/44/14/22/822441422.db2.gz QKHCHURAWJBJSM-WBMJQRKESA-N 1 0 395.837 4.183 20 0 GIADRO CCCOc1ccc(NC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)cc1OCCC ZINC000454233974 822441655 /nfs/dbraw/zinc/44/16/55/822441655.db2.gz CJYULJNQASZFSX-JOCHJYFZSA-N 1 0 389.540 4.214 20 0 GIADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)CC2CCC(C(F)(F)F)CC2)CC1 ZINC000183209808 822442093 /nfs/dbraw/zinc/44/20/93/822442093.db2.gz QEQBUEOYBWVPOG-KLHKWILBSA-N 1 0 397.485 4.482 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2nc(-c3ccc(Cl)c(Cl)c3)oc2C)C1 ZINC000183211081 822442411 /nfs/dbraw/zinc/44/24/11/822442411.db2.gz CSISIGUREOUJFL-ZDUSSCGKSA-N 1 0 396.318 4.371 20 0 GIADRO CCN(Cc1ccncc1)C(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000046129339 822442914 /nfs/dbraw/zinc/44/29/14/822442914.db2.gz NNFQCUHNXRZPDE-WOJBJXKFSA-N 1 0 394.563 4.291 20 0 GIADRO C[C@H](CCc1cccc(F)c1)[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000183220453 822443651 /nfs/dbraw/zinc/44/36/51/822443651.db2.gz WCZCWNWPGPCQRD-MRXNPFEDSA-N 1 0 380.467 4.471 20 0 GIADRO COc1cccc([C@@H]2[C@H](NC(=O)[C@H](C)c3cccc(F)c3)CC[N@@H+]2C2CC2)c1 ZINC000183231517 822444890 /nfs/dbraw/zinc/44/48/90/822444890.db2.gz NQYHXLOYYLBFDY-UJUVCNOISA-N 1 0 382.479 4.032 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@@]2(CCSC2)C1)c1ccsc1 ZINC000454260097 822445226 /nfs/dbraw/zinc/44/52/26/822445226.db2.gz LAXDEWNRJPFWCZ-PKOBYXMFSA-N 1 0 381.611 4.060 20 0 GIADRO C[C@@H]([NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1)c1cccc(CO)c1 ZINC000183237061 822446169 /nfs/dbraw/zinc/44/61/69/822446169.db2.gz KJQGTEREAQFCTI-WBVHZDCISA-N 1 0 389.337 4.119 20 0 GIADRO COc1cccc([C@@H]2[C@H](NC(=O)[C@@H]3C[C@H]3c3sccc3C)CC[N@@H+]2C2CC2)c1 ZINC000183241453 822446924 /nfs/dbraw/zinc/44/69/24/822446924.db2.gz AMWCMXLLSWBVPL-XRXFAXGQSA-N 1 0 396.556 4.263 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1cc2c(cc1Br)OCCO2)c1cccc(CO)c1 ZINC000183241160 822446938 /nfs/dbraw/zinc/44/69/38/822446938.db2.gz LWHBLSITDDOJCX-STQMWFEESA-N 1 0 392.293 4.124 20 0 GIADRO CC1CC[NH+](C2CCC(NC(=O)N3CCC(C(F)(F)F)CC3)CC2)CC1 ZINC000179179616 822447642 /nfs/dbraw/zinc/44/76/42/822447642.db2.gz HMJJUPZIYGCCCD-UHFFFAOYSA-N 1 0 375.479 4.013 20 0 GIADRO CN(C(=O)Nc1cccc2cccnc21)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000454273082 822447805 /nfs/dbraw/zinc/44/78/05/822447805.db2.gz KQMIQZGJKRRLAD-UHFFFAOYSA-N 1 0 380.414 4.115 20 0 GIADRO O=C1[C@@H]([NH2+][C@H]2CCCc3cc(SC(F)F)ccc32)CCN1CC(F)(F)F ZINC000183249387 822448370 /nfs/dbraw/zinc/44/83/70/822448370.db2.gz XTBIVMOCQWVSEO-KBPBESRZSA-N 1 0 394.409 4.132 20 0 GIADRO COc1ccc([C@H](CNC(=O)c2ccc(C)nc2C2CC2)[NH+]2CCCCC2)cc1 ZINC000454276588 822448782 /nfs/dbraw/zinc/44/87/82/822448782.db2.gz MMEBSWJNLAZYDS-QFIPXVFZSA-N 1 0 393.531 4.233 20 0 GIADRO C[C@H](CNC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)c1nccs1 ZINC000183263727 822450639 /nfs/dbraw/zinc/45/06/39/822450639.db2.gz IANDSKZARMQUBL-QGZVFWFLSA-N 1 0 386.565 4.122 20 0 GIADRO C[C@@H]([NH2+]CC1(c2ccc(F)cc2)CCOCC1)c1ncc(Br)s1 ZINC000179211603 822451785 /nfs/dbraw/zinc/45/17/85/822451785.db2.gz JSQZCNUIEIFTGA-GFCCVEGCSA-N 1 0 399.329 4.444 20 0 GIADRO C[C@H]([NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1)c1ncc(Br)s1 ZINC000179212013 822451871 /nfs/dbraw/zinc/45/18/71/822451871.db2.gz JWBIRLWHIHWLBX-RYUDHWBXSA-N 1 0 384.318 4.222 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1cccc(Br)c1Cl ZINC000183273994 822451980 /nfs/dbraw/zinc/45/19/80/822451980.db2.gz FIMSHTZYERTAHS-CYBMUJFWSA-N 1 0 387.749 4.487 20 0 GIADRO COc1ccc(CCC[NH2+][C@H](C)c2ncc(Br)s2)cc1OC ZINC000179213256 822452156 /nfs/dbraw/zinc/45/21/56/822452156.db2.gz WARSIMKQCDHRAX-LLVKDONJSA-N 1 0 385.327 4.206 20 0 GIADRO CCN(Cc1ccncc1)C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000046226527 822452523 /nfs/dbraw/zinc/45/25/23/822452523.db2.gz XPLNKPYLLQDKKG-FQEVSTJZSA-N 1 0 386.927 4.104 20 0 GIADRO COC[C@H]([NH2+]CCc1nc(-c2cccc(Cl)c2)no1)c1ccc(F)c(F)c1 ZINC000183278424 822452540 /nfs/dbraw/zinc/45/25/40/822452540.db2.gz SEWJPGBURAZALV-KRWDZBQOSA-N 1 0 393.821 4.188 20 0 GIADRO C[C@@H]([NH2+]C[C@H](C)N1CCc2ccccc2C1)c1ncc(Br)s1 ZINC000179215655 822452623 /nfs/dbraw/zinc/45/26/23/822452623.db2.gz GEWZCPPOIYDJMP-QWHCGFSZSA-N 1 0 380.355 4.003 20 0 GIADRO COc1ccccc1N1CC[C@@H](C[NH2+][C@H](C)c2ncc(Br)s2)C1 ZINC000179221078 822453253 /nfs/dbraw/zinc/45/32/53/822453253.db2.gz GZWNWWHSNNOKKK-OLZOCXBDSA-N 1 0 396.354 4.091 20 0 GIADRO O=C(Nc1ccccc1O)C1CC[NH+](CCCSCc2ccccc2)CC1 ZINC000179222624 822453280 /nfs/dbraw/zinc/45/32/80/822453280.db2.gz RLXXZOPCHVCLDU-UHFFFAOYSA-N 1 0 384.545 4.366 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)N2CC3(CCC3)[C@H]2c2ccco2)CC1 ZINC000454299081 822454095 /nfs/dbraw/zinc/45/40/95/822454095.db2.gz JTLSBQKOQDPUCE-OAQYLSRUSA-N 1 0 394.519 4.181 20 0 GIADRO Cc1ccc(NC(=O)C2(C[NH2+][C@@H](c3nccn3C)C3CC3)CCCC2)cc1C ZINC000183293938 822454493 /nfs/dbraw/zinc/45/44/93/822454493.db2.gz WMPHRVNPRAGLSA-HXUWFJFHSA-N 1 0 380.536 4.277 20 0 GIADRO COCc1cccc(C[NH+]2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)c1 ZINC000179234726 822455163 /nfs/dbraw/zinc/45/51/63/822455163.db2.gz WVYNQJCNYIWTBH-UHFFFAOYSA-N 1 0 388.895 4.043 20 0 GIADRO C[C@H]([NH2+]CCCCCC(=O)OC(C)(C)C)c1ncc(Br)s1 ZINC000179235479 822455362 /nfs/dbraw/zinc/45/53/62/822455362.db2.gz BOGWQYYWJNKJHC-NSHDSACASA-N 1 0 377.348 4.458 20 0 GIADRO C[C@H](c1nc2ccccc2s1)N(C)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000046281771 822457687 /nfs/dbraw/zinc/45/76/87/822457687.db2.gz XSNGIJFQPSJYQC-MRXNPFEDSA-N 1 0 394.544 4.057 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@@H]2CCN(c3ccc(Cl)cc3)C2)cc(OC)c1OC ZINC000183333824 822460297 /nfs/dbraw/zinc/46/02/97/822460297.db2.gz JJRRFEXTOKBWCZ-RHSMWYFYSA-N 1 0 390.911 4.295 20 0 GIADRO COc1ccc(-c2cc(NC(=O)NC[C@H](C)[NH+](C)C)ccc2OC(F)F)cc1 ZINC000454350326 822460825 /nfs/dbraw/zinc/46/08/25/822460825.db2.gz QLEBBHDLESHVFN-ZDUSSCGKSA-N 1 0 393.434 4.035 20 0 GIADRO CCn1ccnc1[C@H](C)NC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000454356297 822461214 /nfs/dbraw/zinc/46/12/14/822461214.db2.gz BFMOLEYSFZWEHO-SFHVURJKSA-N 1 0 397.567 4.228 20 0 GIADRO C[NH+](C)CCCC1CCN(C(=O)Nc2ncc(Cc3ccccc3)s2)CC1 ZINC000179288498 822461245 /nfs/dbraw/zinc/46/12/45/822461245.db2.gz ZQTCMONXALWIKN-UHFFFAOYSA-N 1 0 386.565 4.320 20 0 GIADRO COc1cc(-c2noc(C[NH2+][C@H](C)[C@@H](C)c3ccccc3)n2)cc(OC)c1OC ZINC000183343132 822461487 /nfs/dbraw/zinc/46/14/87/822461487.db2.gz MPBMDEKUWKHONI-HUUCEWRRSA-N 1 0 397.475 4.044 20 0 GIADRO COc1cc(-c2noc(C[NH2+][C@@H](C)[C@@H](C)c3ccccc3)n2)cc(OC)c1OC ZINC000183343166 822461526 /nfs/dbraw/zinc/46/15/26/822461526.db2.gz MPBMDEKUWKHONI-CABCVRRESA-N 1 0 397.475 4.044 20 0 GIADRO O=C(C1CCC(F)(F)CC1)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000179293114 822461956 /nfs/dbraw/zinc/46/19/56/822461956.db2.gz GEQQJQIHWVYCAD-PMACEKPBSA-N 1 0 376.491 4.325 20 0 GIADRO Cc1ccnc(CNC(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)c1 ZINC000454365194 822462641 /nfs/dbraw/zinc/46/26/41/822462641.db2.gz NIZMFGDQHIPIAV-UHFFFAOYSA-N 1 0 380.536 4.154 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cnn1C ZINC000183357849 822463334 /nfs/dbraw/zinc/46/33/34/822463334.db2.gz LZUMRYOMEHETFB-VHSXEESVSA-N 1 0 388.821 4.079 20 0 GIADRO C[C@H](C[C@H](O)c1ccco1)NC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000179324285 822466088 /nfs/dbraw/zinc/46/60/88/822466088.db2.gz BLSSKKNWAAIUTH-GCJKJVERSA-N 1 0 392.499 4.154 20 0 GIADRO CC1(CNC(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)CC[NH2+]CC1 ZINC000183390232 822467489 /nfs/dbraw/zinc/46/74/89/822467489.db2.gz QJOBMWWOOWKOHM-UHFFFAOYSA-N 1 0 393.462 4.267 20 0 GIADRO C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000454404952 822470172 /nfs/dbraw/zinc/47/01/72/822470172.db2.gz KTAGYJNMCBXMDB-GDBMZVCRSA-N 1 0 375.479 4.013 20 0 GIADRO C[N@@H+]1CCCN(c2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)CC1 ZINC000046403817 822470335 /nfs/dbraw/zinc/47/03/35/822470335.db2.gz LHFVUXXMCGNMCM-UHFFFAOYSA-N 1 0 377.410 4.100 20 0 GIADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)Nc3cccc(OCc4ccc(F)cc4)c3)C2)C1 ZINC000454408230 822470603 /nfs/dbraw/zinc/47/06/03/822470603.db2.gz WCJOTUJURZUHNT-QHCPKHFHSA-N 1 0 397.494 4.354 20 0 GIADRO CN(C)c1ccc(NC(=O)NCCCCC[NH+]2CCCC2)c(C(F)(F)F)c1 ZINC000454425050 822473555 /nfs/dbraw/zinc/47/35/55/822473555.db2.gz MVDJTNFVMUHUEJ-UHFFFAOYSA-N 1 0 386.462 4.159 20 0 GIADRO C[C@H](CCNC(=O)Nc1cccc(NC(=O)c2ccccc2)c1)[NH+]1CCCCC1 ZINC000183429601 822473739 /nfs/dbraw/zinc/47/37/39/822473739.db2.gz ZFVGOZYZBNKBQK-GOSISDBHSA-N 1 0 394.519 4.325 20 0 GIADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)Nc3cccc(COc4cccc(F)c4)c3)C2)C1 ZINC000454428116 822474172 /nfs/dbraw/zinc/47/41/72/822474172.db2.gz PKOMKVHJRUEQRV-HSZRJFAPSA-N 1 0 397.494 4.354 20 0 GIADRO COc1ccc(C[NH+]2CCC(C(=O)N3CCc4ccccc43)CC2)cc1Cl ZINC000179381933 822474221 /nfs/dbraw/zinc/47/42/21/822474221.db2.gz KEZUIEFLFZMYKJ-UHFFFAOYSA-N 1 0 384.907 4.150 20 0 GIADRO Cc1c([C@H](C)[NH2+]CC(=O)Nc2ccccc2Sc2ccccc2)cnn1C ZINC000183434220 822474302 /nfs/dbraw/zinc/47/43/02/822474302.db2.gz DXSMGTHPIDSPLL-HNNXBMFYSA-N 1 0 380.517 4.169 20 0 GIADRO Cc1ccc(-c2n[nH]cc2C[NH+]2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)o1 ZINC000179387907 822475223 /nfs/dbraw/zinc/47/52/23/822475223.db2.gz JYRFEYWXQGAFFE-HNNXBMFYSA-N 1 0 388.512 4.103 20 0 GIADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)C1 ZINC000183448814 822476625 /nfs/dbraw/zinc/47/66/25/822476625.db2.gz MWYWWTWWZZDVHV-NZSAHSFTSA-N 1 0 395.469 4.282 20 0 GIADRO Cc1cc2ncc([C@@H](C)[NH2+]CCc3ccc(Br)s3)c(C)n2n1 ZINC000179408054 822478382 /nfs/dbraw/zinc/47/83/82/822478382.db2.gz XIROGUTVUKIFHG-LLVKDONJSA-N 1 0 379.327 4.063 20 0 GIADRO Cc1cc2ncc([C@H](C)[NH2+]Cc3cccc(NC(=O)CC(C)C)c3)c(C)n2n1 ZINC000179408577 822478614 /nfs/dbraw/zinc/47/86/14/822478614.db2.gz ALQYFUPXQCYRKJ-INIZCTEOSA-N 1 0 379.508 4.182 20 0 GIADRO O=C(NCc1ccccc1)C1CC[NH+](Cc2cc(Cl)cc3cccnc32)CC1 ZINC000046503328 822479122 /nfs/dbraw/zinc/47/91/22/822479122.db2.gz YRLGGZDXKWYIRM-UHFFFAOYSA-N 1 0 393.918 4.417 20 0 GIADRO O[C@@H](c1ccc(F)cc1)C1CC[NH+](Cc2cnn(Cc3ccccc3)c2)CC1 ZINC000179426974 822480926 /nfs/dbraw/zinc/48/09/26/822480926.db2.gz WNROGZFEDQONBE-QHCPKHFHSA-N 1 0 379.479 4.016 20 0 GIADRO O=C(NC[C@H]1CCCCC1(F)F)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000454476291 822481146 /nfs/dbraw/zinc/48/11/46/822481146.db2.gz BDLSQPWZZJYZQR-XUBOLADHSA-N 1 0 391.506 4.307 20 0 GIADRO C[C@@H]([NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1)c1nc2c(s1)CCCC2 ZINC000179435829 822482502 /nfs/dbraw/zinc/48/25/02/822482502.db2.gz URDQPSXDMZBGCY-MRXNPFEDSA-N 1 0 384.593 4.408 20 0 GIADRO C/C(=C\c1cccc(Cl)c1)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000179441058 822483417 /nfs/dbraw/zinc/48/34/17/822483417.db2.gz PEWXQMDGFYCGGK-GHRIWEEISA-N 1 0 398.934 4.016 20 0 GIADRO C[C@H](NC(=O)Nc1cc(Cl)ccc1N(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183486721 822483962 /nfs/dbraw/zinc/48/39/62/822483962.db2.gz WYVABGMJPVOZNZ-GJZGRUSLSA-N 1 0 378.948 4.181 20 0 GIADRO C[C@@H]([NH2+]C1CCN(Cc2ccc(Br)cc2)CC1)c1nccs1 ZINC000179451410 822485202 /nfs/dbraw/zinc/48/52/02/822485202.db2.gz JJCTVHGPRDHAFS-CYBMUJFWSA-N 1 0 380.355 4.221 20 0 GIADRO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000179454788 822485352 /nfs/dbraw/zinc/48/53/52/822485352.db2.gz BFTOJLVZRDEASD-CQSZACIVSA-N 1 0 397.466 4.129 20 0 GIADRO CC[C@H]([NH2+][C@H]1CCCc2ccc(F)cc21)c1ccccc1OCC(=O)N(C)C ZINC000179467268 822487051 /nfs/dbraw/zinc/48/70/51/822487051.db2.gz YYJNCWRHXDREPB-SFTDATJTSA-N 1 0 384.495 4.411 20 0 GIADRO Cc1oc(-c2cccs2)nc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000046571636 822487087 /nfs/dbraw/zinc/48/70/87/822487087.db2.gz SKHWDZZCKCIQLC-UHFFFAOYSA-N 1 0 381.501 4.106 20 0 GIADRO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(Br)cc2F)[C@@H]1c1ccccc1 ZINC000179473479 822487650 /nfs/dbraw/zinc/48/76/50/822487650.db2.gz PXISXCWUKBLNHI-IRXDYDNUSA-N 1 0 392.272 4.155 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)cc2)s1 ZINC000183511025 822488198 /nfs/dbraw/zinc/48/81/98/822488198.db2.gz IJAHLFMOWOZGOH-ULFGMLNVSA-N 1 0 380.941 4.475 20 0 GIADRO COc1cc(F)c([C@@H](C)[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)cc1OC ZINC000183513043 822488331 /nfs/dbraw/zinc/48/83/31/822488331.db2.gz BRMXUDCVLQAJCK-CABCVRRESA-N 1 0 396.503 4.283 20 0 GIADRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000183513707 822488411 /nfs/dbraw/zinc/48/84/11/822488411.db2.gz YAQFRJVRJOSXIX-XLWVJDPXSA-N 1 0 394.302 4.225 20 0 GIADRO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc3oc(C4CC4)nc3c2)[C@@H]1c1ccccc1 ZINC000179478951 822488531 /nfs/dbraw/zinc/48/85/31/822488531.db2.gz IMWSUJVYGAXJSR-XLIONFOSSA-N 1 0 376.460 4.272 20 0 GIADRO C[C@@H]([NH2+]C[C@H](C)c1nc(-c2ccccc2)no1)c1ncc(Br)s1 ZINC000179478942 822488618 /nfs/dbraw/zinc/48/86/18/822488618.db2.gz DRQUKQFTPFBTJP-WDEREUQCSA-N 1 0 393.310 4.410 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000454515699 822489078 /nfs/dbraw/zinc/48/90/78/822489078.db2.gz KSHYAWAWCUUDOP-HARLFGEKSA-N 1 0 377.532 4.315 20 0 GIADRO C[C@@H](NC(=O)Nc1cc(F)ccc1OC(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183520292 822489223 /nfs/dbraw/zinc/48/92/23/822489223.db2.gz CUSKHFHWSBGFQA-CHWSQXEVSA-N 1 0 385.430 4.202 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)Cc3cccc4cccnc43)cc2)C1 ZINC000046596483 822489708 /nfs/dbraw/zinc/48/97/08/822489708.db2.gz HJPPEUXTGOCVNR-LJQANCHMSA-N 1 0 387.527 4.326 20 0 GIADRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]Cc2nc(C(F)(F)F)cs2)CC1 ZINC000183524792 822489768 /nfs/dbraw/zinc/48/97/68/822489768.db2.gz YVNNXYXSEPNVQT-NSHDSACASA-N 1 0 379.448 4.041 20 0 GIADRO C[C@H]([NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1Br ZINC000179495525 822490908 /nfs/dbraw/zinc/49/09/08/822490908.db2.gz IHPDPRFYUIYWIF-DOTOQJQBSA-N 1 0 387.321 4.148 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@H]2CCCN(Cc3ccccc3)C2=O)ccc1SC ZINC000179496873 822491203 /nfs/dbraw/zinc/49/12/03/822491203.db2.gz YLHRZBSNYFWJOV-LPHOPBHVSA-N 1 0 384.545 4.259 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1cccc(-n2cccn2)c1 ZINC000183539317 822491994 /nfs/dbraw/zinc/49/19/94/822491994.db2.gz RQLRCBJCIFZJTA-PKOBYXMFSA-N 1 0 384.524 4.313 20 0 GIADRO Cc1cc(C)c(NC(=O)CCC[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c(C)c1 ZINC000179501207 822492321 /nfs/dbraw/zinc/49/23/21/822492321.db2.gz LOPSEIQWDOKERN-LJQANCHMSA-N 1 0 395.551 4.206 20 0 GIADRO C[C@H](CNC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1)c1nccs1 ZINC000183552810 822493955 /nfs/dbraw/zinc/49/39/55/822493955.db2.gz SVSPPJFDQQVEPJ-QGZVFWFLSA-N 1 0 379.529 4.309 20 0 GIADRO Cc1nc(CSc2ccc(C(=O)NCC[NH+]3CCCCCC3)cc2)cs1 ZINC000046620430 822494070 /nfs/dbraw/zinc/49/40/70/822494070.db2.gz QWERDPIQVZKNRR-UHFFFAOYSA-N 1 0 389.590 4.350 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cccnc1C(F)(F)F ZINC000179516500 822494782 /nfs/dbraw/zinc/49/47/82/822494782.db2.gz PBBKUOQPLNWJOF-KRWDZBQOSA-N 1 0 391.437 4.085 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)Cn1ncc2ccccc2c1=O)c1cccc(-c2ccncc2)c1 ZINC000179516974 822495136 /nfs/dbraw/zinc/49/51/36/822495136.db2.gz BNPFTRUEYFWKFD-ZWKOTPCHSA-N 1 0 384.483 4.198 20 0 GIADRO Cc1cc2cc([C@@H](C)[NH2+][C@@H](C)Cn3ncc4ccccc4c3=O)oc2cc1C ZINC000179517081 822495255 /nfs/dbraw/zinc/49/52/55/822495255.db2.gz TXQHLCCVIDTHAW-DLBZAZTESA-N 1 0 375.472 4.499 20 0 GIADRO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@H]1CCc2c1ccc(Cl)c2Cl ZINC000179517775 822495523 /nfs/dbraw/zinc/49/55/23/822495523.db2.gz JGFGUIGTPKBYDH-XIKOKIGWSA-N 1 0 388.298 4.369 20 0 GIADRO C[C@H]([NH2+]CC1(c2ccccc2Cl)CC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000179519234 822495763 /nfs/dbraw/zinc/49/57/63/822495763.db2.gz DSPFQPVJOPFZFC-AWEZNQCLSA-N 1 0 378.925 4.094 20 0 GIADRO COc1cc([C@H](C)[NH2+]CC2(c3ccccc3Cl)CC2)ccc1S(C)(=O)=O ZINC000179519254 822495807 /nfs/dbraw/zinc/49/58/07/822495807.db2.gz DAUDFPLYZLBFGD-AWEZNQCLSA-N 1 0 393.936 4.135 20 0 GIADRO O=C(Nc1ccccc1)c1ccc(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)cc1 ZINC000179522867 822496500 /nfs/dbraw/zinc/49/65/00/822496500.db2.gz HNHAFPVRRKMFKR-UHFFFAOYSA-N 1 0 391.515 4.029 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1)c1cccc(-n2cccn2)c1 ZINC000183588240 822498042 /nfs/dbraw/zinc/49/80/42/822498042.db2.gz IJOYHKDDAGCTJL-CVEARBPZSA-N 1 0 398.457 4.021 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CCc2csc(C(C)(C)C)n2)cc1 ZINC000179535701 822499129 /nfs/dbraw/zinc/49/91/29/822499129.db2.gz GRGCDARYEGZGDN-AWEZNQCLSA-N 1 0 395.594 4.096 20 0 GIADRO Cc1cccc([C@@H](NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)c2ccccn2)c1 ZINC000179536153 822499283 /nfs/dbraw/zinc/49/92/83/822499283.db2.gz ZVQIBMOKQPTBPZ-HSZRJFAPSA-N 1 0 392.547 4.139 20 0 GIADRO CCn1nc(C)c(NC(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)c1C ZINC000179542893 822500226 /nfs/dbraw/zinc/50/02/26/822500226.db2.gz AXBTWKDQCFMCOR-SFHVURJKSA-N 1 0 389.931 4.132 20 0 GIADRO CC(C)Oc1cccc([C@@H](O)C[NH2+][C@H](c2ccccc2)c2ccc(F)cn2)c1 ZINC000183612610 822501258 /nfs/dbraw/zinc/50/12/58/822501258.db2.gz XRLWRKBZBBQFDF-XZOQPEGZSA-N 1 0 380.463 4.421 20 0 GIADRO CC(C)Oc1ccc([C@@H](O)C[NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)cc1 ZINC000183611154 822501281 /nfs/dbraw/zinc/50/12/81/822501281.db2.gz YOAXUEMEQQANBO-GOTSBHOMSA-N 1 0 380.463 4.421 20 0 GIADRO C[C@H]([NH2+]CC1(c2ccc(F)cc2Cl)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000179554098 822502606 /nfs/dbraw/zinc/50/26/06/822502606.db2.gz NGABNYWDBZGNOL-ZDUSSCGKSA-N 1 0 381.900 4.265 20 0 GIADRO Cc1nc(C)c([C@H](C)[NH2+][C@@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)s1 ZINC000179555086 822502794 /nfs/dbraw/zinc/50/27/94/822502794.db2.gz GCRPZOMWFFRKAB-KKXDTOCCSA-N 1 0 379.957 4.136 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CSc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000454603214 822504312 /nfs/dbraw/zinc/50/43/12/822504312.db2.gz RLOZVSHLFIADDC-HOJAQTOUSA-N 1 0 395.572 4.228 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(N2CCCC2)cc1)c1cccc(OC(F)F)c1 ZINC000179574958 822505931 /nfs/dbraw/zinc/50/59/31/822505931.db2.gz XSDQVLSXYPSPFZ-OAHLLOKOSA-N 1 0 389.446 4.178 20 0 GIADRO CC(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cccc(OC(F)F)c2)c1 ZINC000179574803 822505957 /nfs/dbraw/zinc/50/59/57/822505957.db2.gz BXWZMZSYTRNFCX-CHWSQXEVSA-N 1 0 376.403 4.168 20 0 GIADRO COCCn1ccc2ccc(NC(=O)N[C@@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)cc21 ZINC000183651997 822506264 /nfs/dbraw/zinc/50/62/64/822506264.db2.gz YOOOQRGWMRNZBO-HKUYNNGSSA-N 1 0 398.551 4.062 20 0 GIADRO COc1ccc2c(C[NH2+][C@H](C)c3cccc(OC(F)F)c3)cc(=O)oc2c1 ZINC000179578727 822506351 /nfs/dbraw/zinc/50/63/51/822506351.db2.gz LPYDLYMGKOABOV-GFCCVEGCSA-N 1 0 375.371 4.254 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCN(c2c(F)cccc2F)C1=O)c1cccc(OC(F)F)c1 ZINC000179582266 822506854 /nfs/dbraw/zinc/50/68/54/822506854.db2.gz NAOSAGCUOVAJSA-BDJLRTHQSA-N 1 0 382.357 4.022 20 0 GIADRO COc1ccc(Cl)c(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)c1 ZINC000454619396 822507601 /nfs/dbraw/zinc/50/76/01/822507601.db2.gz SPSSPWXSNUMQDT-INIZCTEOSA-N 1 0 387.911 4.334 20 0 GIADRO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000179588767 822507893 /nfs/dbraw/zinc/50/78/93/822507893.db2.gz GBVPRIRTIANDHQ-QWHCGFSZSA-N 1 0 398.400 4.436 20 0 GIADRO Cc1sc2[nH]c(C[NH2+][C@H](CCO)C(C)(C)C)nc(=O)c2c1-c1ccc(C)cc1 ZINC000183665529 822507971 /nfs/dbraw/zinc/50/79/71/822507971.db2.gz PMIDTHQVLNRUGT-MRXNPFEDSA-N 1 0 399.560 4.155 20 0 GIADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000179589904 822508268 /nfs/dbraw/zinc/50/82/68/822508268.db2.gz BBXLXTDEZHWGCN-YGRLFVJLSA-N 1 0 394.210 4.457 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Cc1cccc2cccnc21 ZINC000046715565 822508880 /nfs/dbraw/zinc/50/88/80/822508880.db2.gz ZBVZVVOQYNJTSU-IBGZPJMESA-N 1 0 387.527 4.468 20 0 GIADRO COc1cc(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)ccc1OC1CCCC1 ZINC000046722881 822509740 /nfs/dbraw/zinc/50/97/40/822509740.db2.gz YTBHYFIEHRVQTE-UHFFFAOYSA-N 1 0 398.503 4.209 20 0 GIADRO CCC[C@@H](C[NH+]1CCN(CC(=O)Nc2c(C)cccc2C)CC1)c1ccccc1 ZINC000179597391 822509838 /nfs/dbraw/zinc/50/98/38/822509838.db2.gz AJWDFZVUHVOAGS-QHCPKHFHSA-N 1 0 393.575 4.443 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)cc1 ZINC000046723628 822509910 /nfs/dbraw/zinc/50/99/10/822509910.db2.gz BYSUAPBUTCWCPX-UHFFFAOYSA-N 1 0 399.491 4.226 20 0 GIADRO CCC[N@H+](Cc1c(C)nn(C)c1N1CCOCC1)[C@H](C)c1cc2ccccc2o1 ZINC000179598414 822510101 /nfs/dbraw/zinc/51/01/01/822510101.db2.gz JQPZWBQWLJPUBX-GOSISDBHSA-N 1 0 396.535 4.285 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N(C)c1nc2ccccc2s1)c1ccc(OC(F)F)cc1 ZINC000179600855 822510423 /nfs/dbraw/zinc/51/04/23/822510423.db2.gz PSQNBNUJVUQAID-GFCCVEGCSA-N 1 0 391.443 4.211 20 0 GIADRO CC(C)C[C@H]([NH2+][C@H](C)c1ccc(-n2ccnc2)cc1)C(=O)Nc1nccs1 ZINC000179600402 822510433 /nfs/dbraw/zinc/51/04/33/822510433.db2.gz FANJEBVRFNAPCQ-QAPCUYQASA-N 1 0 383.521 4.033 20 0 GIADRO CCc1nc2c(s1)[C@H]([NH2+][C@H](CC(C)C)C(=O)Nc1nccs1)CCC2 ZINC000179601596 822510650 /nfs/dbraw/zinc/51/06/50/822510650.db2.gz PZJPVMJJSZIWAC-TZMCWYRMSA-N 1 0 378.567 4.182 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N(C)[C@@H](C)c1ccc(F)cc1)c1ccc(OC(F)F)cc1 ZINC000179602029 822510694 /nfs/dbraw/zinc/51/06/94/822510694.db2.gz OPSPDBRYWMTOEE-KGLIPLIRSA-N 1 0 380.410 4.297 20 0 GIADRO Cc1nn(-c2ccccc2)cc1NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000183687638 822511278 /nfs/dbraw/zinc/51/12/78/822511278.db2.gz DRBAUWSLFZVLDN-IBGZPJMESA-N 1 0 395.532 4.201 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000179606075 822511570 /nfs/dbraw/zinc/51/15/70/822511570.db2.gz LFIMSALXFFJHSV-NSHDSACASA-N 1 0 384.810 4.239 20 0 GIADRO Cc1nn(-c2ccccc2)cc1NC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000183689167 822511821 /nfs/dbraw/zinc/51/18/21/822511821.db2.gz VZJUEGMTRSXPEH-HDICACEKSA-N 1 0 383.540 4.060 20 0 GIADRO Cc1oc(-c2cccs2)nc1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000046745472 822512171 /nfs/dbraw/zinc/51/21/71/822512171.db2.gz JRCWNVVPLNSVPS-UHFFFAOYSA-N 1 0 381.501 4.237 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000046751113 822512880 /nfs/dbraw/zinc/51/28/80/822512880.db2.gz UHHJFFQBXIPQDA-MOPGFXCFSA-N 1 0 398.551 4.371 20 0 GIADRO C[C@@H](CCNC(=O)Nc1cccc(C[S@](=O)C(C)(C)C)c1)[NH+]1CCCCC1 ZINC000183703221 822514089 /nfs/dbraw/zinc/51/40/89/822514089.db2.gz FZCTWEUCFLQQGF-SOKVYYICSA-N 1 0 393.597 4.120 20 0 GIADRO CC1CCC(Oc2cc(C[NH2+]Cc3cncc(Br)c3)ccn2)CC1 ZINC000183709093 822514925 /nfs/dbraw/zinc/51/49/25/822514925.db2.gz MEMVNQBTVWUPLX-UHFFFAOYSA-N 1 0 390.325 4.486 20 0 GIADRO CC[C@@H]([NH2+][C@H](C)c1cc(OC)c(OC)cc1C)C(=O)Nc1ccc(OC)cc1 ZINC000179625321 822515012 /nfs/dbraw/zinc/51/50/12/822515012.db2.gz KPMWZOVIAFXSQE-DNVCBOLYSA-N 1 0 386.492 4.089 20 0 GIADRO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2sc(-c3ccccc3)nc2C)cc1 ZINC000183725803 822517352 /nfs/dbraw/zinc/51/73/52/822517352.db2.gz NYZVOJCOUPHAKC-AWEZNQCLSA-N 1 0 381.501 4.416 20 0 GIADRO COc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@@H](C)c2cccc(C)c2C)cc1OC ZINC000183739597 822519890 /nfs/dbraw/zinc/51/98/90/822519890.db2.gz QMLWXKCGVIBCNK-GHTZIAJQSA-N 1 0 396.531 4.335 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CC(=O)Nc1cccnc1Cl ZINC000183739979 822519952 /nfs/dbraw/zinc/51/99/52/822519952.db2.gz ZFSSJLCFTONEAR-GFCCVEGCSA-N 1 0 386.908 4.456 20 0 GIADRO CC(C)OC(=O)c1ccc(Cl)c(NC(=O)NC(C)(C)CCC[NH+](C)C)c1 ZINC000454704916 822520694 /nfs/dbraw/zinc/52/06/94/822520694.db2.gz VZVGYBKXAMUVPE-UHFFFAOYSA-N 1 0 383.920 4.147 20 0 GIADRO Cc1c(NC(=O)NCCCCC[NH+]2CCCC2)cccc1OCC(F)(F)F ZINC000454705875 822520903 /nfs/dbraw/zinc/52/09/03/822520903.db2.gz KQGHGWCNZGSZDJ-UHFFFAOYSA-N 1 0 387.446 4.324 20 0 GIADRO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)NC(=O)CO2 ZINC000046819635 822521104 /nfs/dbraw/zinc/52/11/04/822521104.db2.gz RGOFDQPJKPKZJN-CVEARBPZSA-N 1 0 395.503 4.127 20 0 GIADRO C[C@H](C1CC1)N(C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C1CC1 ZINC000179654862 822521243 /nfs/dbraw/zinc/52/12/43/822521243.db2.gz XCVYEUWGPSFXPI-JOTOCRJQSA-N 1 0 393.934 4.444 20 0 GIADRO CC[C@H]1CN(Cc2nnc(Cc3ccccc3C)o2)CC[N@@H+]1Cc1ccccc1 ZINC000183748447 822521759 /nfs/dbraw/zinc/52/17/59/822521759.db2.gz UDZYESDRCWSEOC-QFIPXVFZSA-N 1 0 390.531 4.065 20 0 GIADRO COCc1ccc(C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)cc1 ZINC000046837557 822522789 /nfs/dbraw/zinc/52/27/89/822522789.db2.gz KXPJDSAGYJBHJR-UHFFFAOYSA-N 1 0 398.510 4.430 20 0 GIADRO COc1ccc(O[C@H](C)C(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)cc1 ZINC000046838446 822522808 /nfs/dbraw/zinc/52/28/08/822522808.db2.gz ZUQYQTKJACMGCU-RBUKOAKNSA-N 1 0 396.531 4.153 20 0 GIADRO Cc1ccc(CN(C)C(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)cc1C ZINC000454717573 822522776 /nfs/dbraw/zinc/52/27/76/822522776.db2.gz OQPWLJRZMATVRR-LJQANCHMSA-N 1 0 380.536 4.065 20 0 GIADRO COc1ccc(Cl)cc1[C@@H](CC(C)C)[NH2+]CC(=O)N(C)c1nccs1 ZINC000179665184 822523050 /nfs/dbraw/zinc/52/30/50/822523050.db2.gz GXDRBRVKPURHGM-OAHLLOKOSA-N 1 0 381.929 4.145 20 0 GIADRO CC(C)Oc1cccc([C@H](C)[NH2+]CC(=O)Nc2ccccc2OC(F)F)c1 ZINC000179670226 822523790 /nfs/dbraw/zinc/52/37/90/822523790.db2.gz XWMWNJKRYFXLQK-AWEZNQCLSA-N 1 0 378.419 4.365 20 0 GIADRO CC(C)Oc1cccc([C@@H](C)[NH2+]CC(=O)NCc2ccc(OC(F)F)cc2)c1 ZINC000179670779 822523820 /nfs/dbraw/zinc/52/38/20/822523820.db2.gz ZJNUOZMPHUYMQL-OAHLLOKOSA-N 1 0 392.446 4.042 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)c2ccc(Br)cc2C(F)(F)F)CC[N@@H+]1C ZINC000179674264 822524576 /nfs/dbraw/zinc/52/45/76/822524576.db2.gz CRZLATCSFBLTRI-JQWIXIFHSA-N 1 0 393.247 4.023 20 0 GIADRO Cc1ccc(NCc2ccc(OC(F)(F)F)cc2)cc1NC(=O)CC[NH+](C)C ZINC000183774625 822526523 /nfs/dbraw/zinc/52/65/23/822526523.db2.gz JYOAOLDPDPBGJE-UHFFFAOYSA-N 1 0 395.425 4.396 20 0 GIADRO Cc1cccc(OC[C@H](O)C[NH2+][C@H](C)c2cccc(OCc3ccccn3)c2)c1 ZINC000179686564 822527179 /nfs/dbraw/zinc/52/71/79/822527179.db2.gz BDRPZCQZSRPSJG-DENIHFKCSA-N 1 0 392.499 4.060 20 0 GIADRO C[C@H]([NH2+]CC(=O)N1[C@H](C)CCC[C@H]1C)c1cccc(OCc2ccccn2)c1 ZINC000179692575 822528461 /nfs/dbraw/zinc/52/84/61/822528461.db2.gz TYLZPWRWXMPPTK-QRVBRYPASA-N 1 0 381.520 4.101 20 0 GIADRO CC[C@@H](NC(=O)N1CCC(CCC[NH+](CC)CC)CC1)c1nc(C)cs1 ZINC000183795714 822528953 /nfs/dbraw/zinc/52/89/53/822528953.db2.gz HXBVVDPGQKKRIV-GOSISDBHSA-N 1 0 380.602 4.446 20 0 GIADRO O=C(CC[NH+]1CCCCC1)Nc1cccc(NC(=O)N2CC[C@H](CC3CC3)C2)c1 ZINC000454759557 822529289 /nfs/dbraw/zinc/52/92/89/822529289.db2.gz MAZOZQZWWMVCKI-LJQANCHMSA-N 1 0 398.551 4.155 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)c1cccc(OCc2ccccn2)c1 ZINC000179696394 822529545 /nfs/dbraw/zinc/52/95/45/822529545.db2.gz JLKMGOAKQAPQHO-GOSISDBHSA-N 1 0 389.499 4.213 20 0 GIADRO CC(=O)Oc1ccc(C[NH2+][C@@H](C)c2cccc(OCc3ccccn3)c2)cc1 ZINC000179697367 822529727 /nfs/dbraw/zinc/52/97/27/822529727.db2.gz WPXQCJUNFRFWQB-KRWDZBQOSA-N 1 0 376.456 4.437 20 0 GIADRO COc1cc(NCC[NH2+][C@H](c2ccccc2)c2ccc(F)cn2)cc(OC)c1 ZINC000183806721 822530365 /nfs/dbraw/zinc/53/03/65/822530365.db2.gz YKPKSTSYXYTPPT-JOCHJYFZSA-N 1 0 381.451 4.029 20 0 GIADRO COC(=O)COc1ccccc1[C@H](C)[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000183812353 822530845 /nfs/dbraw/zinc/53/08/45/822530845.db2.gz SYVPVKPAVATPDX-WFXMLNOXSA-N 1 0 383.488 4.057 20 0 GIADRO CCOc1ccc([C@H]2CCCN2C(=O)NCc2cccc(C[NH+](C)C)c2)cc1 ZINC000046926743 822531771 /nfs/dbraw/zinc/53/17/71/822531771.db2.gz YUDGORITWPWGJG-JOCHJYFZSA-N 1 0 381.520 4.194 20 0 GIADRO CC[C@@H](c1ccncc1)N(C)CC(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000179706989 822531939 /nfs/dbraw/zinc/53/19/39/822531939.db2.gz VYYROUZIFGXVEH-SFHVURJKSA-N 1 0 384.480 4.366 20 0 GIADRO Brc1ccc2[nH]c(C[NH2+]Cc3ccc(N4CCCC4)nc3)cc2c1 ZINC000183823281 822532380 /nfs/dbraw/zinc/53/23/80/822532380.db2.gz GUFOUURZWDLXNB-UHFFFAOYSA-N 1 0 385.309 4.215 20 0 GIADRO COc1ccccc1-c1cccc(NC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000454784000 822533389 /nfs/dbraw/zinc/53/33/89/822533389.db2.gz UZPZZHMVTDWKBO-HSZRJFAPSA-N 1 0 379.504 4.312 20 0 GIADRO CC[N@@H+]1CC[C@H](CNC(=O)Nc2cc(NC(=O)Nc3ccccc3)ccc2C)C1 ZINC000046956646 822534127 /nfs/dbraw/zinc/53/41/27/822534127.db2.gz CBYDDSKRBQJTFT-QGZVFWFLSA-N 1 0 395.507 4.102 20 0 GIADRO CC(C)C[C@H]([NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000179719087 822534572 /nfs/dbraw/zinc/53/45/72/822534572.db2.gz DBFUTQAUIXBLDO-VQTJNVASSA-N 1 0 395.952 4.154 20 0 GIADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000046997868 822536728 /nfs/dbraw/zinc/53/67/28/822536728.db2.gz UUYNNJOGJRNPKP-LEWJYISDSA-N 1 0 387.483 4.365 20 0 GIADRO CCOc1ccccc1[C@H](CC)[NH2+]CC(=O)N(C)c1nc2ccccc2s1 ZINC000179733583 822537983 /nfs/dbraw/zinc/53/79/83/822537983.db2.gz MKKSUJXBHCBGKG-INIZCTEOSA-N 1 0 383.517 4.399 20 0 GIADRO Cc1cc(C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c(C)n1CC(F)(F)F ZINC000047039262 822539157 /nfs/dbraw/zinc/53/91/57/822539157.db2.gz NUCDUWRBRKOBBO-HUUCEWRRSA-N 1 0 387.490 4.155 20 0 GIADRO C[C@@H](c1cccc(Cl)c1)N(C)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179742275 822540773 /nfs/dbraw/zinc/54/07/73/822540773.db2.gz MEAIFUZKIHMSPO-INIZCTEOSA-N 1 0 386.927 4.354 20 0 GIADRO CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000179742657 822540866 /nfs/dbraw/zinc/54/08/66/822540866.db2.gz XZDUSZMOEBSOFT-CYBMUJFWSA-N 1 0 390.858 4.288 20 0 GIADRO CCOCc1cc(C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)ccc1OC ZINC000179744043 822541215 /nfs/dbraw/zinc/54/12/15/822541215.db2.gz FQOAHUCFCSQJQS-UHFFFAOYSA-N 1 0 382.504 4.082 20 0 GIADRO O=C(Nc1ccccc1)C1CC[NH+](Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000179746097 822541669 /nfs/dbraw/zinc/54/16/69/822541669.db2.gz JSSDAZOKKIDRCE-UHFFFAOYSA-N 1 0 388.471 4.120 20 0 GIADRO COc1cc(C[NH+]2CCC(C(=O)NCc3ccccc3)CC2)ccc1OC(C)C ZINC000179748445 822542000 /nfs/dbraw/zinc/54/20/00/822542000.db2.gz JVNXWEBBPCTKCE-UHFFFAOYSA-N 1 0 396.531 4.011 20 0 GIADRO CCOc1ccc(C(C)=O)cc1C[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179751066 822542628 /nfs/dbraw/zinc/54/26/28/822542628.db2.gz KOAZATJBCHAVAX-QHCPKHFHSA-N 1 0 381.472 4.300 20 0 GIADRO COc1ccccc1COC1CC[NH+](Cc2cnn(Cc3ccccc3)c2)CC1 ZINC000179750468 822542639 /nfs/dbraw/zinc/54/26/39/822542639.db2.gz PWMANGNQBULLLT-UHFFFAOYSA-N 1 0 391.515 4.121 20 0 GIADRO Cc1cc(NC(=O)NC(C)(C)CCC[NH+](C)C)ccc1OCC(F)(F)F ZINC000454833996 822542876 /nfs/dbraw/zinc/54/28/76/822542876.db2.gz NKFNPMKKJZQBHH-UHFFFAOYSA-N 1 0 375.435 4.178 20 0 GIADRO C[C@H]1C[C@H](c2ccccc2F)N(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000179751770 822542865 /nfs/dbraw/zinc/54/28/65/822542865.db2.gz GGVSXHRRIDXGDJ-HTAPYJJXSA-N 1 0 396.510 4.230 20 0 GIADRO C[C@H](Nc1cccc(C[NH+]2CCCCC2)c1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000179756116 822543986 /nfs/dbraw/zinc/54/39/86/822543986.db2.gz MEYRATJMVGZALG-INIZCTEOSA-N 1 0 390.524 4.388 20 0 GIADRO COc1ccccc1COC1CC[NH+](Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000179759311 822544939 /nfs/dbraw/zinc/54/49/39/822544939.db2.gz VNXPTKLCHQWRSI-UHFFFAOYSA-N 1 0 377.488 4.062 20 0 GIADRO O=C(N[C@H](c1ccccc1)c1ccc(F)cc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000047118079 822545449 /nfs/dbraw/zinc/54/54/49/822545449.db2.gz RXCODBQHNASSOB-HSZRJFAPSA-N 1 0 395.522 4.433 20 0 GIADRO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3cc(Cl)ccc3SCC(F)(F)F)C[C@@H]21 ZINC000454849478 822545555 /nfs/dbraw/zinc/54/55/55/822545555.db2.gz DPVQDGDWBAWTDN-MFKMUULPSA-N 1 0 393.862 4.162 20 0 GIADRO O=C(C[NH2+][C@@H](CCCO)c1ccccc1)Nc1ccccc1Cc1ccccc1 ZINC000179761381 822545564 /nfs/dbraw/zinc/54/55/64/822545564.db2.gz RAMVMCYFCYRALC-QHCPKHFHSA-N 1 0 388.511 4.319 20 0 GIADRO CC(C)CNC(=O)c1cccc(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)c1 ZINC000179761151 822545641 /nfs/dbraw/zinc/54/56/41/822545641.db2.gz GTFQPLWOOGNKQL-HSZRJFAPSA-N 1 0 394.515 4.085 20 0 GIADRO Cc1csc([C@@H](C)CNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)n1 ZINC000183920646 822546762 /nfs/dbraw/zinc/54/67/62/822546762.db2.gz LFLGBGUHOZAIQV-INIZCTEOSA-N 1 0 386.565 4.040 20 0 GIADRO C[N@H+](Cc1c(C2CC2)nc2sccn12)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000179766677 822548041 /nfs/dbraw/zinc/54/80/41/822548041.db2.gz RPFZYWGXEPMDDB-UHFFFAOYSA-N 1 0 390.553 4.105 20 0 GIADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC000179767535 822548204 /nfs/dbraw/zinc/54/82/04/822548204.db2.gz OEMSBGMRJNQEFC-CYBMUJFWSA-N 1 0 387.434 4.143 20 0 GIADRO O=C(Nc1ccccc1O)C1CC[NH+](Cc2cnc(-c3cccs3)s2)CC1 ZINC000179767797 822548235 /nfs/dbraw/zinc/54/82/35/822548235.db2.gz NRENJSJRYRENRY-UHFFFAOYSA-N 1 0 399.541 4.428 20 0 GIADRO C[NH+](C)CC1(CNC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)CCCC1 ZINC000183935091 822550085 /nfs/dbraw/zinc/55/00/85/822550085.db2.gz WSVFLVYZEQFPTE-UHFFFAOYSA-N 1 0 394.519 4.182 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1cccc2c1N=S=N2)c1ccc(NC(=O)C2CC2)cc1 ZINC000179775388 822550239 /nfs/dbraw/zinc/55/02/39/822550239.db2.gz NXWGWUOZBPYJDU-GFCCVEGCSA-N 1 0 395.488 4.051 20 0 GIADRO Cc1c(Cl)cccc1NC(=O)C[NH2+][C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000179774255 822550241 /nfs/dbraw/zinc/55/02/41/822550241.db2.gz GGFDTWAHPADHPC-CQSZACIVSA-N 1 0 385.895 4.286 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(C(=O)N2CCCC2)cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000179776678 822550658 /nfs/dbraw/zinc/55/06/58/822550658.db2.gz FELMNILXNDAAEB-KRWDZBQOSA-N 1 0 391.515 4.122 20 0 GIADRO CCC[C@@H](NC(=O)C[NH2+][C@H](C)c1ccc(NC(=O)C2CC2)cc1)c1ccccc1 ZINC000179776997 822550814 /nfs/dbraw/zinc/55/08/14/822550814.db2.gz LMNMYFSHADYQKX-VGOFRKELSA-N 1 0 393.531 4.343 20 0 GIADRO C[C@@H](C[N@H+](C)CCCCCCN1C(=O)c2ccccc2C1=O)c1nccs1 ZINC000183946460 822551813 /nfs/dbraw/zinc/55/18/13/822551813.db2.gz XJBMDHSHAFORCE-INIZCTEOSA-N 1 0 385.533 4.035 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+](C)C[C@@H](C)c1nccs1 ZINC000183946705 822552001 /nfs/dbraw/zinc/55/20/01/822552001.db2.gz CATIBUBRTINZDG-OAHLLOKOSA-N 1 0 397.548 4.010 20 0 GIADRO 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 822552148 /nfs/dbraw/zinc/55/21/48/822552148.db2.gz MFZMFLGOMCHWIJ-JOCBIADPSA-N 1 0 397.485 4.358 20 0 GIADRO COC1CCN(c2ccc(N[C@H]3CC[N@H+](C)[C@@H](C)C3)cc2C(F)(F)F)CC1 ZINC000179782859 822552158 /nfs/dbraw/zinc/55/21/58/822552158.db2.gz UDHYIZQBHYRXOO-HOCLYGCPSA-N 1 0 385.474 4.215 20 0 GIADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2ccc(NC(=O)c3cccs3)cc2)C1 ZINC000047187875 822552496 /nfs/dbraw/zinc/55/24/96/822552496.db2.gz VYBWFSWOAALGJP-QGZVFWFLSA-N 1 0 399.560 4.242 20 0 GIADRO COc1ccccc1C1(C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)CCC1 ZINC000183957777 822553819 /nfs/dbraw/zinc/55/38/19/822553819.db2.gz OEYVPXWUCZMGCL-HNNXBMFYSA-N 1 0 391.508 4.010 20 0 GIADRO CCC(=O)N1CCC[C@@H](C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC000047209927 822554556 /nfs/dbraw/zinc/55/45/56/822554556.db2.gz HOLVFNZXQQPHNS-LJQANCHMSA-N 1 0 385.552 4.038 20 0 GIADRO CC(C)(CNC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C1=CCCC1 ZINC000454913301 822555672 /nfs/dbraw/zinc/55/56/72/822555672.db2.gz VCQBUIZYVOKXML-UHFFFAOYSA-N 1 0 387.490 4.227 20 0 GIADRO C[N@H+](CCCCNC(=O)Nc1cccc(NC(=O)C2CCCCC2)c1)C1CC1 ZINC000454915067 822555961 /nfs/dbraw/zinc/55/59/61/822555961.db2.gz OVUGIXJREVBHKM-UHFFFAOYSA-N 1 0 386.540 4.201 20 0 GIADRO CC(=O)N1CCC[N@H+](Cc2ccc(-c3ccc(Br)cc3)s2)CC1 ZINC000179810872 822557540 /nfs/dbraw/zinc/55/75/40/822557540.db2.gz CYEAHIDTBODLMF-UHFFFAOYSA-N 1 0 393.350 4.232 20 0 GIADRO CC(=O)N1CCC[N@H+](Cc2ccc(-c3ccccc3Br)s2)CC1 ZINC000179814933 822558481 /nfs/dbraw/zinc/55/84/81/822558481.db2.gz XAFMQBBWPWIAKF-UHFFFAOYSA-N 1 0 393.350 4.232 20 0 GIADRO C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CCC[C@H]1CCCCO1 ZINC000183994201 822560039 /nfs/dbraw/zinc/56/00/39/822560039.db2.gz DVOXBDXKFDTKFI-GOEBONIOSA-N 1 0 388.430 4.241 20 0 GIADRO COc1ccc2cc(CNC(=O)C3CC[NH+](Cc4ccccc4)CC3)ccc2c1 ZINC000047304334 822563630 /nfs/dbraw/zinc/56/36/30/822563630.db2.gz VNYIGQLAWYJHQH-UHFFFAOYSA-N 1 0 388.511 4.377 20 0 GIADRO COc1ccc([C@H]2CCCN2C(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000047304402 822563700 /nfs/dbraw/zinc/56/37/00/822563700.db2.gz RRFIRCJMPOBAMO-HSZRJFAPSA-N 1 0 378.516 4.271 20 0 GIADRO Cc1cc(C)c(-c2csc(NC(=O)C[NH2+][C@@H](C)C3CCOCC3)n2)c(C)c1 ZINC000179839012 822563921 /nfs/dbraw/zinc/56/39/21/822563921.db2.gz QNANCOJWGLJVHS-INIZCTEOSA-N 1 0 387.549 4.079 20 0 GIADRO Cc1ccc(N[C@H](C)c2cccc(OCC[NH+](C)C)c2)cc1C(=O)NC(C)C ZINC000179839898 822564127 /nfs/dbraw/zinc/56/41/27/822564127.db2.gz HEWWAXIYAHACEX-GOSISDBHSA-N 1 0 383.536 4.247 20 0 GIADRO O=C(NCCC1CC(F)(F)C1)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000454976813 822565306 /nfs/dbraw/zinc/56/53/06/822565306.db2.gz GCTBBAPWHVLYLM-LJQANCHMSA-N 1 0 379.495 4.023 20 0 GIADRO CSc1cccc(NC(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000047324589 822566104 /nfs/dbraw/zinc/56/61/04/822566104.db2.gz QZILFNSWKITGDP-UHFFFAOYSA-N 1 0 398.576 4.132 20 0 GIADRO COc1ccc(C(=O)NCc2ccccc2C[NH+](C)C)cc1OC1CCCC1 ZINC000184030183 822567471 /nfs/dbraw/zinc/56/74/71/822567471.db2.gz RPIOMDPXBDQKFV-UHFFFAOYSA-N 1 0 382.504 4.008 20 0 GIADRO CCC(=O)c1cccc(NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000454996638 822567751 /nfs/dbraw/zinc/56/77/51/822567751.db2.gz WWQQFJQSYBFGEM-UHFFFAOYSA-N 1 0 385.430 4.160 20 0 GIADRO CCCCn1ccnc1-c1cccc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000455001785 822568494 /nfs/dbraw/zinc/56/84/94/822568494.db2.gz SSEOVCXHGNFTSI-IHWFROFDSA-N 1 0 381.524 4.097 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)[C@H]1COc2ccccc2O1)C1CCCCC1 ZINC000047339236 822568639 /nfs/dbraw/zinc/56/86/39/822568639.db2.gz PAYPIQXVMHLXAQ-JOCHJYFZSA-N 1 0 380.488 4.230 20 0 GIADRO Cc1cc(Cl)cc(C[NH+]2CCC(C(=O)N3CCc4ccccc43)CC2)c1O ZINC000179873410 822569395 /nfs/dbraw/zinc/56/93/95/822569395.db2.gz PCRXKIGTCDXIHT-UHFFFAOYSA-N 1 0 384.907 4.155 20 0 GIADRO COCc1ccsc1C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000179875321 822569599 /nfs/dbraw/zinc/56/95/99/822569599.db2.gz IONWCZGGCCOECE-MRXNPFEDSA-N 1 0 378.563 4.159 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)CCc1cc(F)ccc1Br)c1cccs1 ZINC000184045496 822570145 /nfs/dbraw/zinc/57/01/45/822570145.db2.gz WUQMPGKXYYMIAA-OAHLLOKOSA-N 1 0 399.329 4.001 20 0 GIADRO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000179888383 822572103 /nfs/dbraw/zinc/57/21/03/822572103.db2.gz QUENRIHYTWNBRI-KRWDZBQOSA-N 1 0 386.879 4.120 20 0 GIADRO C[C@H](C[C@@H](O)c1cccs1)[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000184057689 822572349 /nfs/dbraw/zinc/57/23/49/822572349.db2.gz NBRUJBZUCNOIDL-BDJLRTHQSA-N 1 0 397.331 4.237 20 0 GIADRO CC(C)c1csc(NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)n1 ZINC000047380525 822572960 /nfs/dbraw/zinc/57/29/60/822572960.db2.gz QIXSKKGFAGSCCU-UHFFFAOYSA-N 1 0 376.501 4.192 20 0 GIADRO Cc1[nH]nc2ncc(C(=O)Nc3ccccc3C[N@@H+](C)C3CCCCC3)cc12 ZINC000047383109 822573406 /nfs/dbraw/zinc/57/34/06/822573406.db2.gz VUHHJKQEWSRXGW-UHFFFAOYSA-N 1 0 377.492 4.283 20 0 GIADRO C[C@H](Nc1ccc(N2CCSCC2)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000179900793 822573781 /nfs/dbraw/zinc/57/37/81/822573781.db2.gz KUSWEDWSVHLKNH-SFHVURJKSA-N 1 0 385.577 4.353 20 0 GIADRO C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000184070808 822574014 /nfs/dbraw/zinc/57/40/14/822574014.db2.gz ZINCATWNYYSPHD-OAHLLOKOSA-N 1 0 376.884 4.185 20 0 GIADRO C[C@@H](c1cccc(Cl)c1)N(C)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000047393037 822574121 /nfs/dbraw/zinc/57/41/21/822574121.db2.gz YBNYRNBSOZZOCU-INIZCTEOSA-N 1 0 386.927 4.317 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)c2cnn(-c3ccccc3)c2C)CC1 ZINC000184079013 822574860 /nfs/dbraw/zinc/57/48/60/822574860.db2.gz KNWXYNLFISTLTJ-UHFFFAOYSA-N 1 0 382.552 4.155 20 0 GIADRO CSc1ncc(Cl)c(C(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)n1 ZINC000047402028 822575578 /nfs/dbraw/zinc/57/55/78/822575578.db2.gz WWCKDRCVPIZQDA-UHFFFAOYSA-N 1 0 390.940 4.336 20 0 GIADRO Cn1ncc2c1CCC[C@@H]2[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000184084607 822575939 /nfs/dbraw/zinc/57/59/39/822575939.db2.gz YXLIXQNEPACMMN-IBGZPJMESA-N 1 0 393.362 4.359 20 0 GIADRO COCc1cc([C@H](C)[NH2+]CCCc2nc(-c3ccc(F)cc3)no2)ccc1OC ZINC000184091044 822576527 /nfs/dbraw/zinc/57/65/27/822576527.db2.gz FGGWQGIWYPJREO-HNNXBMFYSA-N 1 0 399.466 4.314 20 0 GIADRO C[C@@H](CC(=O)NCCCC[NH+]1CCC(C)CC1)C(=O)c1ccc(Cl)cc1 ZINC000179920020 822577261 /nfs/dbraw/zinc/57/72/61/822577261.db2.gz RBDSKPOMTXDICR-KRWDZBQOSA-N 1 0 378.944 4.177 20 0 GIADRO CCCN(CCc1cccs1)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000184097277 822577387 /nfs/dbraw/zinc/57/73/87/822577387.db2.gz MIPZFYLHXHKUEZ-UHFFFAOYSA-N 1 0 399.604 4.419 20 0 GIADRO Cc1ccc(Br)c(NC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)c1 ZINC000455042042 822578446 /nfs/dbraw/zinc/57/84/46/822578446.db2.gz YCQWMEFMUUZRCF-AWEZNQCLSA-N 1 0 380.330 4.096 20 0 GIADRO Cc1ccc(-c2nc(CC(=O)Nc3ccc(C[NH+]4CCCC4)cc3)cs2)o1 ZINC000047435853 822578804 /nfs/dbraw/zinc/57/88/04/822578804.db2.gz PNKIPDZNRZWJSF-UHFFFAOYSA-N 1 0 381.501 4.489 20 0 GIADRO Cc1csc([C@@H](C)C[NH2+]CC2=Cc3cc(Br)ccc3OC2)n1 ZINC000184111621 822579851 /nfs/dbraw/zinc/57/98/51/822579851.db2.gz CEWGJWDTRDUTMR-NSHDSACASA-N 1 0 379.323 4.383 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)c1 ZINC000047447833 822580361 /nfs/dbraw/zinc/58/03/61/822580361.db2.gz NDPHXSXRWPTFKQ-RXVVDRJESA-N 1 0 393.531 4.077 20 0 GIADRO COc1ccc(CCC(=O)Nc2cccc(C[NH+](C)C)c2)cc1Br ZINC000047454126 822581213 /nfs/dbraw/zinc/58/12/13/822581213.db2.gz VTWQRBUKRKCLEK-UHFFFAOYSA-N 1 0 391.309 4.091 20 0 GIADRO CCn1ccnc1[C@H](C)NC(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000455058559 822582367 /nfs/dbraw/zinc/58/23/67/822582367.db2.gz MSHCSWUHZZHVMW-SFHVURJKSA-N 1 0 383.540 4.060 20 0 GIADRO Cc1cccnc1CCNC(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000455060947 822582527 /nfs/dbraw/zinc/58/25/27/822582527.db2.gz PHZXJQSXOCTXOT-UHFFFAOYSA-N 1 0 380.536 4.029 20 0 GIADRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1csc(-c2ccc(F)c(F)c2)n1 ZINC000184132993 822583904 /nfs/dbraw/zinc/58/39/04/822583904.db2.gz TUTBLUWNIUUVNF-UHFFFAOYSA-N 1 0 391.487 4.225 20 0 GIADRO COc1ccc(OC)c(-c2csc(NC(=O)CC3(C[NH3+])CCCCC3)n2)c1 ZINC000184136136 822584182 /nfs/dbraw/zinc/58/41/82/822584182.db2.gz VVLXCVGKQHOCOP-UHFFFAOYSA-N 1 0 389.521 4.065 20 0 GIADRO CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2cccc(-c3ccncc3)c2)cc1 ZINC000179950206 822584221 /nfs/dbraw/zinc/58/42/21/822584221.db2.gz PXIYSRCZNLWSRF-QGZVFWFLSA-N 1 0 380.513 4.393 20 0 GIADRO CCC(CC)n1nc(C)cc1C(=O)Nc1ccccc1OCCn1ccnc1 ZINC000179959817 822585838 /nfs/dbraw/zinc/58/58/38/822585838.db2.gz RRFCFXAQDBUCRA-UHFFFAOYSA-N 1 0 381.480 4.080 20 0 GIADRO CCc1nn(C)cc1C[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000184150129 822586210 /nfs/dbraw/zinc/58/62/10/822586210.db2.gz JHOPKCVPWUMLFQ-UHFFFAOYSA-N 1 0 381.351 4.044 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)Nc1ccc2nc(-c3ccccn3)oc2c1 ZINC000455079994 822586546 /nfs/dbraw/zinc/58/65/46/822586546.db2.gz HYJIQXYXOWHPQX-UHFFFAOYSA-N 1 0 381.480 4.132 20 0 GIADRO COc1cc(OC)c(C(=O)Nc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)cc1OC ZINC000047522151 822586717 /nfs/dbraw/zinc/58/67/17/822586717.db2.gz ATUGWRHXVAYTGG-MRXNPFEDSA-N 1 0 398.503 4.339 20 0 GIADRO CCc1ccc([C@H](CNC(=O)c2ccc(-n3cc[nH]c3=S)cc2)[NH+](C)C)cc1 ZINC000047536335 822588243 /nfs/dbraw/zinc/58/82/43/822588243.db2.gz YEMYWORBXMEHDN-FQEVSTJZSA-N 1 0 394.544 4.130 20 0 GIADRO C[C@H]([NH2+][C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1cncc(F)c1 ZINC000179972903 822588405 /nfs/dbraw/zinc/58/84/05/822588405.db2.gz UWURAJDKYDBFJK-UGSOOPFHSA-N 1 0 395.400 4.081 20 0 GIADRO [NH3+]CC1(CC(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)CCCCC1 ZINC000184163760 822588852 /nfs/dbraw/zinc/58/88/52/822588852.db2.gz YGRAQHBDTUSVBM-INIZCTEOSA-N 1 0 380.916 4.136 20 0 GIADRO Cc1nn(C)c2nc(C)c(C(=O)Nc3ccc(C[N@H+]4CCCC[C@H]4C)cc3)cc12 ZINC000047544992 822589250 /nfs/dbraw/zinc/58/92/50/822589250.db2.gz CRMVUGGFOWZURB-OAHLLOKOSA-N 1 0 391.519 4.212 20 0 GIADRO Cn1cc([C@@H]([NH2+]C[C@@H](c2ccco2)N2CCCCC2)c2cccc(F)c2)cn1 ZINC000179980004 822589726 /nfs/dbraw/zinc/58/97/26/822589726.db2.gz HROWFEAYTWSDKA-UNMCSNQZSA-N 1 0 382.483 4.058 20 0 GIADRO Cn1c(C[NH2+]CCCc2nc(-c3ccc(F)cc3)no2)nc2cc(Cl)ccc21 ZINC000184171349 822590342 /nfs/dbraw/zinc/59/03/42/822590342.db2.gz JAKVRTGOEBYVRL-UHFFFAOYSA-N 1 0 399.857 4.138 20 0 GIADRO CN(C)[C@@H](C[NH2+][C@H](c1cnn(C)c1)c1cccc(F)c1)c1ccccc1Cl ZINC000179984208 822590514 /nfs/dbraw/zinc/59/05/14/822590514.db2.gz OONSJOMJGRZWPQ-SFTDATJTSA-N 1 0 386.902 4.195 20 0 GIADRO CCOc1cc(C[NH2+]CCCc2nc(-c3ccc(F)cc3)no2)ccc1OC ZINC000184173310 822590566 /nfs/dbraw/zinc/59/05/66/822590566.db2.gz DWAHGWRGVIZLHQ-UHFFFAOYSA-N 1 0 385.439 4.005 20 0 GIADRO Fc1ccc(-c2noc(CCC[NH2+]Cc3c[nH]nc3-c3ccccc3F)n2)cc1 ZINC000184174862 822590792 /nfs/dbraw/zinc/59/07/92/822590792.db2.gz LHCLGEOAPHFSIJ-UHFFFAOYSA-N 1 0 395.413 4.127 20 0 GIADRO O=C(NCCCCC[NH+]1CCCC1)N1CCC(c2c[nH]c3ccccc23)CC1 ZINC000455113983 822590929 /nfs/dbraw/zinc/59/09/29/822590929.db2.gz KTGNLTMXBIOZDB-UHFFFAOYSA-N 1 0 382.552 4.323 20 0 GIADRO Cc1cccc(COc2ccc([C@@H](C)[NH2+]C[C@@H]3COC4(CCOCC4)O3)cc2)c1 ZINC000179986640 822591173 /nfs/dbraw/zinc/59/11/73/822591173.db2.gz KJRXGQKKMSBPEO-AUSIDOKSSA-N 1 0 397.515 4.147 20 0 GIADRO Cc1ccc(C)c(NC(=S)NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c1 ZINC000047567396 822591375 /nfs/dbraw/zinc/59/13/75/822591375.db2.gz WRXHBIXWPZVOGN-RTBURBONSA-N 1 0 397.588 4.399 20 0 GIADRO Cc1cccc([C@H](NC(=O)NCCCCC[NH+]2CCCC2)c2ccccn2)c1 ZINC000455118524 822591499 /nfs/dbraw/zinc/59/14/99/822591499.db2.gz PHWPVTYPWZXHJP-QFIPXVFZSA-N 1 0 380.536 4.045 20 0 GIADRO C[C@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1ccc(Cl)c(Cl)c1Cl ZINC000179988167 822591560 /nfs/dbraw/zinc/59/15/60/822591560.db2.gz KOFNHYLGCMIGAZ-WDEREUQCSA-N 1 0 380.699 4.220 20 0 GIADRO C[C@@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1ccc(-c2ccccc2F)s1 ZINC000179989691 822591755 /nfs/dbraw/zinc/59/17/55/822591755.db2.gz PEHLQNLOPJTBKA-CABCVRRESA-N 1 0 377.481 4.127 20 0 GIADRO COc1ccc(NC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cc1OC(C)C ZINC000184180566 822591820 /nfs/dbraw/zinc/59/18/20/822591820.db2.gz POEIVFKYHYNFBO-UHFFFAOYSA-N 1 0 397.519 4.222 20 0 GIADRO Cc1ccc([C@@H](Cc2ccccc2)[NH2+]C[C@H]2COC3(CCOCC3)O2)cc1C ZINC000179990636 822591994 /nfs/dbraw/zinc/59/19/94/822591994.db2.gz GSHJKCQCOHSTEY-XZOQPEGZSA-N 1 0 381.516 4.099 20 0 GIADRO CC[C@H](C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)c1ccc(OC)cc1 ZINC000179992297 822592232 /nfs/dbraw/zinc/59/22/32/822592232.db2.gz IYUXUKHHJHQESF-QHCPKHFHSA-N 1 0 380.532 4.217 20 0 GIADRO CC(F)(F)CCCNC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000455124362 822592593 /nfs/dbraw/zinc/59/25/93/822592593.db2.gz CXTYRADERJDYEP-NRFANRHFSA-N 1 0 379.495 4.120 20 0 GIADRO C[C@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000179995457 822592754 /nfs/dbraw/zinc/59/27/54/822592754.db2.gz CFALQPOCBDKELZ-LPHOPBHVSA-N 1 0 387.451 4.191 20 0 GIADRO CC[C@@H]1Oc2cc([C@H](C)[NH2+]CC(=O)Nc3ccc(C(C)C)cc3)ccc2NC1=O ZINC000180008518 822594892 /nfs/dbraw/zinc/59/48/92/822594892.db2.gz CRWLDDGWJXLFQX-YWZLYKJASA-N 1 0 395.503 4.209 20 0 GIADRO Cc1oc2ccccc2c1CNC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000184210248 822596714 /nfs/dbraw/zinc/59/67/14/822596714.db2.gz KNAFURIRAZPQRD-UHFFFAOYSA-N 1 0 392.503 4.123 20 0 GIADRO COc1ccccc1[C@@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)C1CCCC1 ZINC000180026658 822599846 /nfs/dbraw/zinc/59/98/46/822599846.db2.gz DRYJYSGHXJQOFM-DEOSSOPVSA-N 1 0 396.531 4.183 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)N3CC(c4cccc(Cl)c4)C3)c2)CC1 ZINC000455163785 822600163 /nfs/dbraw/zinc/60/01/63/822600163.db2.gz SUXPACYQEVAFGX-UHFFFAOYSA-N 1 0 398.938 4.113 20 0 GIADRO Cc1ccc(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)c(C2CC2)n1 ZINC000455178478 822602593 /nfs/dbraw/zinc/60/25/93/822602593.db2.gz FVAYZINGKXWEOQ-UHFFFAOYSA-N 1 0 381.545 4.377 20 0 GIADRO CCCC(=O)Nc1cccc(NC(=O)NC[C@H](c2ccc(CC)cc2)[NH+](C)C)c1 ZINC000047715210 822603002 /nfs/dbraw/zinc/60/30/02/822603002.db2.gz BRTVJVWWKYSDGN-OAQYLSRUSA-N 1 0 396.535 4.412 20 0 GIADRO Cc1ccc(OCCCC(=O)Nc2ccc(C[NH2+]Cc3ccncc3)cc2)cc1 ZINC000047718917 822603781 /nfs/dbraw/zinc/60/37/81/822603781.db2.gz NDVKCESOJVPBLA-UHFFFAOYSA-N 1 0 389.499 4.478 20 0 GIADRO CCOc1ccc(Oc2cc(C[NH2+]Cc3ccc(C(=O)OC)cc3)ccn2)cc1 ZINC000180049025 822604222 /nfs/dbraw/zinc/60/42/22/822604222.db2.gz JLKZHCLDSHOTKD-UHFFFAOYSA-N 1 0 392.455 4.349 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000455196662 822605845 /nfs/dbraw/zinc/60/58/45/822605845.db2.gz IDCUTYZQRSBPNG-CQSZACIVSA-N 1 0 379.854 4.363 20 0 GIADRO Cc1ccc([C@H]([NH2+]Cc2ccc(S(=O)(=O)N3CCCC3)cc2)C2CC2)cc1 ZINC000180061083 822606445 /nfs/dbraw/zinc/60/64/45/822606445.db2.gz QRNKVJXALFOBIG-QFIPXVFZSA-N 1 0 384.545 4.020 20 0 GIADRO COc1cccc([C@@H]2[C@@H](NC(=O)Nc3nc(C4CC4)cs3)CC[N@@H+]2C2CC2)c1 ZINC000180067692 822608238 /nfs/dbraw/zinc/60/82/38/822608238.db2.gz YDJVISACHYNBDU-PKOBYXMFSA-N 1 0 398.532 4.129 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)N[C@H]1CCSc2ccccc21 ZINC000047777535 822608553 /nfs/dbraw/zinc/60/85/53/822608553.db2.gz VNQXJRAIVPUTMO-ROUUACIJSA-N 1 0 385.533 4.343 20 0 GIADRO Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000184284200 822608567 /nfs/dbraw/zinc/60/85/67/822608567.db2.gz ILUFAMNBYBLHLE-UHFFFAOYSA-N 1 0 385.483 4.271 20 0 GIADRO COc1ccccc1N1CC[C@@H](C[NH2+][C@@H](C)c2nc3ccc(Cl)cc3n2C)C1 ZINC000180077584 822610728 /nfs/dbraw/zinc/61/07/28/822610728.db2.gz SQWBXVXNFSYIFU-HOTGVXAUSA-N 1 0 398.938 4.412 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=S)Nc3ccc(F)cc3F)c(C)c2)CC1 ZINC000047808500 822611323 /nfs/dbraw/zinc/61/13/23/822611323.db2.gz TZMZQJFLOYQMGM-UHFFFAOYSA-N 1 0 390.503 4.224 20 0 GIADRO COc1cc(C[NH2+][C@H](C)c2ccc3c(c2)CCC(=O)N3)ccc1OC(F)F ZINC000047827015 822612950 /nfs/dbraw/zinc/61/29/50/822612950.db2.gz WWAPYAXHKBMSJY-GFCCVEGCSA-N 1 0 376.403 4.032 20 0 GIADRO CCOc1cc(C[NH2+][C@H](C)c2ccc3c(c2)CCC(=O)N3)cc(Cl)c1OC ZINC000047827531 822612970 /nfs/dbraw/zinc/61/29/70/822612970.db2.gz ROIRQSLNKGCORV-CYBMUJFWSA-N 1 0 388.895 4.483 20 0 GIADRO COc1cc([C@@H](C)[NH2+]CC(=O)Nc2cccc(C(C)=O)c2)ccc1OCC(C)C ZINC000180092565 822613673 /nfs/dbraw/zinc/61/36/73/822613673.db2.gz FJZZRQSPKRJCMM-MRXNPFEDSA-N 1 0 398.503 4.222 20 0 GIADRO C[NH+](C)CCc1ccccc1NC(=O)N[C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000455237189 822614891 /nfs/dbraw/zinc/61/48/91/822614891.db2.gz ZGQBKRJYKAZBSZ-INIZCTEOSA-N 1 0 377.410 4.017 20 0 GIADRO C[C@H](NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cccc(OC(F)F)c1 ZINC000047871749 822615394 /nfs/dbraw/zinc/61/53/94/822615394.db2.gz GESBCHFVFGWKPP-YOEHRIQHSA-N 1 0 393.434 4.078 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N[C@H]1CCSc2ccc(F)cc21 ZINC000047882444 822616062 /nfs/dbraw/zinc/61/60/62/822616062.db2.gz VKHIIIRGMMGVOK-IRXDYDNUSA-N 1 0 389.496 4.092 20 0 GIADRO Cc1c(NC(=O)N(CCCc2ccccc2)CC[NH+](C)C)cccc1N(C)C ZINC000180108968 822617069 /nfs/dbraw/zinc/61/70/69/822617069.db2.gz MZIPGLNFQVHZMS-UHFFFAOYSA-N 1 0 382.552 4.089 20 0 GIADRO COc1ccc2oc([C@H](C)[NH2+][C@H](C)C(=O)N3CCc4sccc4C3)c(C)c2c1 ZINC000184333464 822617234 /nfs/dbraw/zinc/61/72/34/822617234.db2.gz CXQDUXMVDPUHIV-LSDHHAIUSA-N 1 0 398.528 4.435 20 0 GIADRO C[C@H](CNC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1)C[NH+]1CCCC1 ZINC000047905351 822618201 /nfs/dbraw/zinc/61/82/01/822618201.db2.gz TXKMWZIQBAZCPY-GOSISDBHSA-N 1 0 389.499 4.470 20 0 GIADRO COc1ccc2oc([C@H](C)[NH2+]CC(=O)Nc3ccc(C(C)=O)cc3)c(C)c2c1 ZINC000184339033 822618307 /nfs/dbraw/zinc/61/83/07/822618307.db2.gz HYSDDYREOPWOFS-AWEZNQCLSA-N 1 0 380.444 4.242 20 0 GIADRO Cc1cc(NC(=O)c2oc3ccccc3c2C[NH+](C)C)nn1-c1cccc(F)c1 ZINC000180119062 822619044 /nfs/dbraw/zinc/61/90/44/822619044.db2.gz MQMJRXMDHIPTKP-UHFFFAOYSA-N 1 0 392.434 4.380 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)NCc1ccc(Cl)s1)[NH+]1CCCC1 ZINC000047914928 822619059 /nfs/dbraw/zinc/61/90/59/822619059.db2.gz BUIORSMXOQIDLE-INIZCTEOSA-N 1 0 393.940 4.046 20 0 GIADRO CC[C@@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl)c1nc(C)cs1 ZINC000184350539 822620388 /nfs/dbraw/zinc/62/03/88/822620388.db2.gz RNTDEKYKODJASU-TZMCWYRMSA-N 1 0 375.321 4.239 20 0 GIADRO Cc1cc2c(cc1NC(=O)N1CCC(CC[N@H+]3CCCC[C@@H]3C)CC1)OCO2 ZINC000180126178 822620737 /nfs/dbraw/zinc/62/07/37/822620737.db2.gz CQVXKTCCSYKWJP-KRWDZBQOSA-N 1 0 387.524 4.232 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1cccc(C(=O)NC2CC2)c1)c1cc2ccccc2s1 ZINC000184355195 822621085 /nfs/dbraw/zinc/62/10/85/822621085.db2.gz HIYVRLNSENBVCZ-CQSZACIVSA-N 1 0 393.512 4.083 20 0 GIADRO CCOC(=O)Nc1ccc(NC(=O)NC[C@@H](c2ccc(CC)cc2)[NH+](C)C)cc1 ZINC000047946112 822621550 /nfs/dbraw/zinc/62/15/50/822621550.db2.gz COOBTCSKHIMJLA-FQEVSTJZSA-N 1 0 398.507 4.242 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCc1nc2ccccc2s1 ZINC000047956954 822622364 /nfs/dbraw/zinc/62/23/64/822622364.db2.gz OQNALMOYPAQBDO-UHFFFAOYSA-N 1 0 382.533 4.136 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(C)n(-c3ccccc3Cl)n2)[C@H](C)C1 ZINC000180132559 822622593 /nfs/dbraw/zinc/62/25/93/822622593.db2.gz WEYJZHKHIKNHFR-RHSMWYFYSA-N 1 0 389.931 4.028 20 0 GIADRO O=C(CCC[NH2+]Cc1ncc(-c2ccccc2)s1)N1CCc2ccccc21 ZINC000180133069 822622760 /nfs/dbraw/zinc/62/27/60/822622760.db2.gz VAHCZHCDYWDUML-UHFFFAOYSA-N 1 0 377.513 4.269 20 0 GIADRO CC(C)(C)[NH+]1CCC(NC(=O)Nc2ccc(Cl)c(OC(F)F)c2)CC1 ZINC000180133730 822622992 /nfs/dbraw/zinc/62/29/92/822622992.db2.gz VHMADUZMYFRHBQ-UHFFFAOYSA-N 1 0 375.847 4.326 20 0 GIADRO CCc1nn(C)cc1C[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000180135134 822623346 /nfs/dbraw/zinc/62/33/46/822623346.db2.gz RNRFIQAZDCMPNL-UHFFFAOYSA-N 1 0 381.351 4.044 20 0 GIADRO CC(C)NC(=O)c1ccccc1NC(=O)C[NH2+][C@@H](C)c1cc2ccccc2s1 ZINC000184369309 822623538 /nfs/dbraw/zinc/62/35/38/822623538.db2.gz VNYKMKGHOXIOJP-HNNXBMFYSA-N 1 0 395.528 4.329 20 0 GIADRO CCCCCOc1ccc([C@H](C)NC(=O)NC2CC[NH+](CC)CC2)cc1OC ZINC000047979711 822623628 /nfs/dbraw/zinc/62/36/28/822623628.db2.gz AJYYOPHHDYMYMN-KRWDZBQOSA-N 1 0 391.556 4.109 20 0 GIADRO Cc1cccc(C[NH2+][C@@H](C)c2cc3c(cc2Br)OCCO3)c1O ZINC000180136481 822623923 /nfs/dbraw/zinc/62/39/23/822623923.db2.gz IHJWFZHEGBDFJQ-LBPRGKRZSA-N 1 0 378.266 4.085 20 0 GIADRO C[C@H]([NH2+]CC(=O)NC[C@@H]1CCN(c2ccccc2)C1)c1cc2ccccc2s1 ZINC000184382334 822625655 /nfs/dbraw/zinc/62/56/55/822625655.db2.gz ZQCQULNMEFTOAT-ROUUACIJSA-N 1 0 393.556 4.195 20 0 GIADRO CCCCNC(=O)C1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000048042513 822626220 /nfs/dbraw/zinc/62/62/20/822626220.db2.gz WSNVDCKENXBSBQ-UHFFFAOYSA-N 1 0 394.559 4.421 20 0 GIADRO C[C@H]1CCCN(C(=O)C2CC[NH+](CCOc3ccc4ccccc4c3)CC2)C1 ZINC000048046581 822626470 /nfs/dbraw/zinc/62/64/70/822626470.db2.gz UUAIKIPTONKAKW-IBGZPJMESA-N 1 0 380.532 4.189 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)Nc1nnc(-c2cc3ccccc3o2)s1 ZINC000455283596 822626769 /nfs/dbraw/zinc/62/67/69/822626769.db2.gz YJMGUNAEQXNWMT-UHFFFAOYSA-N 1 0 387.509 4.193 20 0 GIADRO COC(=O)CCn1nc(C)c(C[N@@H+]2CCC[C@H]2c2ccc(Cl)cc2)c1C ZINC000180148664 822626946 /nfs/dbraw/zinc/62/69/46/822626946.db2.gz BEVVDCOUTQBDQV-IBGZPJMESA-N 1 0 375.900 4.054 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(c2ncccc2Cl)C1)c1nc2ccc(Cl)cc2n1C ZINC000180152075 822627889 /nfs/dbraw/zinc/62/78/89/822627889.db2.gz QKSUTELNJZFFSK-GXTWGEPZSA-N 1 0 390.318 4.205 20 0 GIADRO C[NH+]1CCN(c2ccccc2NC(=O)N2CCC[C@H]2c2ccccc2Cl)CC1 ZINC000048059297 822628021 /nfs/dbraw/zinc/62/80/21/822628021.db2.gz DYTGKDBIMXEXIX-FQEVSTJZSA-N 1 0 398.938 4.461 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)c2ncccc2C(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000180154617 822628475 /nfs/dbraw/zinc/62/84/75/822628475.db2.gz UQJXHLYSCHZFLM-WBVHZDCISA-N 1 0 391.437 4.226 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Nc1ccccc1OCC(F)(F)F)c1ccc(F)cc1 ZINC000048072743 822629170 /nfs/dbraw/zinc/62/91/70/822629170.db2.gz RNTXXDUPAUQGJV-INIZCTEOSA-N 1 0 399.388 4.191 20 0 GIADRO CC(C)CC(=O)Nc1ccc(NC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC000048073598 822629426 /nfs/dbraw/zinc/62/94/26/822629426.db2.gz GJQIUUPKCJQZNW-UHFFFAOYSA-N 1 0 388.556 4.255 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)Nc2cccc(OCc3cccnc3)c2)CC1 ZINC000048084579 822630519 /nfs/dbraw/zinc/63/05/19/822630519.db2.gz KUTGXYRCPLFVKJ-UHFFFAOYSA-N 1 0 396.535 4.245 20 0 GIADRO Cc1cc(C)c(CC(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)c(C)c1 ZINC000180165798 822630858 /nfs/dbraw/zinc/63/08/58/822630858.db2.gz RGPYDLDNSOZVEN-NRFANRHFSA-N 1 0 394.559 4.171 20 0 GIADRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1sccc1Br ZINC000048093998 822631162 /nfs/dbraw/zinc/63/11/62/822631162.db2.gz MVHOHUVTUZKEMP-HNNXBMFYSA-N 1 0 379.323 4.078 20 0 GIADRO Cc1ccoc1C(=O)NCCC[NH2+][C@@H](c1ccc(Br)cc1)C1CC1 ZINC000180182019 822633967 /nfs/dbraw/zinc/63/39/67/822633967.db2.gz RRFBEDJLJGOTKF-QGZVFWFLSA-N 1 0 391.309 4.211 20 0 GIADRO COc1cc(O)c(C[NH+]2CCC([C@H](O)c3ccc(Cl)cc3)CC2)cc1OC ZINC000180183517 822634346 /nfs/dbraw/zinc/63/43/46/822634346.db2.gz JSXOBQCSHDXVGD-OAQYLSRUSA-N 1 0 391.895 4.008 20 0 GIADRO COCCC(=O)N1CCC([NH2+][C@@H](c2ccc(Cl)c(Cl)c2)C(C)C)CC1 ZINC000180193931 822636591 /nfs/dbraw/zinc/63/65/91/822636591.db2.gz DKAQOOGLKIKQHK-LJQANCHMSA-N 1 0 387.351 4.308 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)COCc1ccc(Cl)cc1)c1nc(C(C)(C)C)cs1 ZINC000184446698 822636739 /nfs/dbraw/zinc/63/67/39/822636739.db2.gz SYJBLLKPTBJFES-BBRMVZONSA-N 1 0 382.957 4.322 20 0 GIADRO CN(Cc1c(C2CC2)nc2sccn12)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000180196885 822637434 /nfs/dbraw/zinc/63/74/34/822637434.db2.gz CHMCJONOJJFDNE-SFHVURJKSA-N 1 0 380.561 4.227 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCC1)Nc1ccc(N2CCCC2)c(F)c1 ZINC000048138556 822637608 /nfs/dbraw/zinc/63/76/08/822637608.db2.gz CEGFBGHTSBLTHT-UHFFFAOYSA-N 1 0 396.510 4.343 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1ccc(N2CCCC2)c(F)c1 ZINC000048139353 822637807 /nfs/dbraw/zinc/63/78/07/822637807.db2.gz XHJZDXKYMOQSTR-KRWDZBQOSA-N 1 0 376.520 4.202 20 0 GIADRO COCCCOc1cccc(C[NH2+][C@H](C)c2nc3ccc(Cl)cc3n2C)c1 ZINC000180199953 822638085 /nfs/dbraw/zinc/63/80/85/822638085.db2.gz OURPEAWNQUJGHE-OAHLLOKOSA-N 1 0 387.911 4.493 20 0 GIADRO Cc1cncc([C@H](C)[NH2+][C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)c1 ZINC000184456234 822638530 /nfs/dbraw/zinc/63/85/30/822638530.db2.gz LJFGCAZXPYWRCJ-HNAYVOBHSA-N 1 0 391.437 4.251 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)c1ccc(Cl)c(F)c1)c1nc2ccc(Cl)cc2n1C ZINC000180210149 822640040 /nfs/dbraw/zinc/64/00/40/822640040.db2.gz BYFQSDMQSBIWEV-BTDLBPIBSA-N 1 0 382.266 4.403 20 0 GIADRO Cc1cc2occ(CC(=O)NCC3CCN(c4cc[nH+]cc4)CC3)c2cc1C ZINC000180211817 822640425 /nfs/dbraw/zinc/64/04/25/822640425.db2.gz STAKQLNBVGSOHV-UHFFFAOYSA-N 1 0 377.488 4.020 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(SC(F)F)cc1 ZINC000180215582 822641069 /nfs/dbraw/zinc/64/10/69/822641069.db2.gz WXERXADFDPHNMY-UHFFFAOYSA-N 1 0 377.460 4.043 20 0 GIADRO Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000180219374 822641641 /nfs/dbraw/zinc/64/16/41/822641641.db2.gz SDJXZOXQGKTKCA-LJQANCHMSA-N 1 0 395.547 4.314 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccc(Br)cc1Cl ZINC000048166633 822641843 /nfs/dbraw/zinc/64/18/43/822641843.db2.gz DNRZHWSZZVHSPM-OAHLLOKOSA-N 1 0 397.700 4.262 20 0 GIADRO C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1ccc(-n2cncn2)cc1 ZINC000180229366 822643983 /nfs/dbraw/zinc/64/39/83/822643983.db2.gz ZRLMVWJFJSCINP-QTJFZDIUSA-N 1 0 386.858 4.241 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NCc1cccc(Cl)c1 ZINC000180229590 822644223 /nfs/dbraw/zinc/64/42/23/822644223.db2.gz ZWEUTSFGLGLMKH-UHFFFAOYSA-N 1 0 386.927 4.183 20 0 GIADRO COc1cc(Cl)c(Cl)cc1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180230322 822644440 /nfs/dbraw/zinc/64/44/40/822644440.db2.gz JYTDPWYWHDMZNK-UHFFFAOYSA-N 1 0 394.302 4.043 20 0 GIADRO O=C(NC[C@H]1CCCC1(F)F)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000455393658 822645772 /nfs/dbraw/zinc/64/57/72/822645772.db2.gz COHCFGOHCBUWDB-TZIWHRDSSA-N 1 0 391.506 4.120 20 0 GIADRO C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000184500379 822646087 /nfs/dbraw/zinc/64/60/87/822646087.db2.gz RHSJNTMVTNXGEH-MRXNPFEDSA-N 1 0 390.955 4.320 20 0 GIADRO CCC[N@H+](CCc1cccs1)CC(=O)N[C@H](c1nccs1)c1ccccc1 ZINC000184504247 822646729 /nfs/dbraw/zinc/64/67/29/822646729.db2.gz ZEHQQHRRGOEZAW-FQEVSTJZSA-N 1 0 399.585 4.365 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1sccc1Br)c1ccsc1 ZINC000048229164 822647058 /nfs/dbraw/zinc/64/70/58/822647058.db2.gz MFNKRIAVODHBCZ-CYBMUJFWSA-N 1 0 387.368 4.385 20 0 GIADRO CC1CC[NH+](CCCCNC(=O)Cc2csc(-c3cccc(F)c3)n2)CC1 ZINC000048239276 822647278 /nfs/dbraw/zinc/64/72/78/822647278.db2.gz KYLIYKFXJOYDRZ-UHFFFAOYSA-N 1 0 389.540 4.120 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CSCc1cccnc1 ZINC000048234075 822647319 /nfs/dbraw/zinc/64/73/19/822647319.db2.gz WVKDQMQRCHDGEJ-GOSISDBHSA-N 1 0 383.561 4.006 20 0 GIADRO Cc1ccc(NC(=O)C(C)C)cc1NC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000048255320 822648762 /nfs/dbraw/zinc/64/87/62/822648762.db2.gz GIXMTJHMGGQBTK-KRWDZBQOSA-N 1 0 388.537 4.075 20 0 GIADRO CCc1nc(C)c([C@H](C)[NH2+][C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)s1 ZINC000184520957 822649994 /nfs/dbraw/zinc/64/99/94/822649994.db2.gz VYMOVFXAAJEDMO-SGTLLEGYSA-N 1 0 375.513 4.297 20 0 GIADRO CCc1nc(C)c([C@H](C)[NH2+][C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)s1 ZINC000184520926 822650001 /nfs/dbraw/zinc/65/00/01/822650001.db2.gz VYMOVFXAAJEDMO-KPZWWZAWSA-N 1 0 375.513 4.297 20 0 GIADRO CC(=O)c1cc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)ccc1F ZINC000455418685 822650281 /nfs/dbraw/zinc/65/02/81/822650281.db2.gz JBYOSFHCIPBOCA-INIZCTEOSA-N 1 0 383.467 4.014 20 0 GIADRO CC[NH+](CC)CCN(CC(C)C)C(=O)Nc1ccc2c(c1)CN(CC(F)F)C2 ZINC000455423278 822651076 /nfs/dbraw/zinc/65/10/76/822651076.db2.gz BGDCGXLAWKPZCW-UHFFFAOYSA-N 1 0 396.526 4.099 20 0 GIADRO C[C@H](Cc1cccs1)NC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180270031 822651803 /nfs/dbraw/zinc/65/18/03/822651803.db2.gz HTXZCBVTTZHZNR-QGZVFWFLSA-N 1 0 386.565 4.022 20 0 GIADRO CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(F)cc2N(C)C)c2ccc(F)cc2C1 ZINC000184532954 822652226 /nfs/dbraw/zinc/65/22/26/822652226.db2.gz GXXOKXQZNRILGN-SPLOXXLWSA-N 1 0 387.474 4.175 20 0 GIADRO O=C(NCCCCC[NH+]1CCCCC1)Nc1ccc2c(c1)CN(CC(F)F)C2 ZINC000455440170 822654387 /nfs/dbraw/zinc/65/43/87/822654387.db2.gz BCBPSFVFAOTEMU-UHFFFAOYSA-N 1 0 394.510 4.045 20 0 GIADRO CCC[NH+]1CCC(NC(=O)[C@@H](C)Sc2cc(Cl)ccc2Cl)CC1 ZINC000048338709 822654451 /nfs/dbraw/zinc/65/44/51/822654451.db2.gz AMWLSTDTPVPGDR-GFCCVEGCSA-N 1 0 375.365 4.465 20 0 GIADRO CC[NH+](CC)[C@H](C)CNC(=O)Nc1cc(NC(=O)c2ccccc2)ccc1C ZINC000048371726 822657118 /nfs/dbraw/zinc/65/71/18/822657118.db2.gz OKZNSFWGGYMXPX-QGZVFWFLSA-N 1 0 382.508 4.099 20 0 GIADRO CCC(=O)Nc1ccc(NC(=O)NCc2ccccc2C[N@H+](C)C(C)C)cc1 ZINC000048389717 822658652 /nfs/dbraw/zinc/65/86/52/822658652.db2.gz JARSFUJYHBNQMU-UHFFFAOYSA-N 1 0 382.508 4.197 20 0 GIADRO CN(C)C(=O)CCC[NH2+][C@@H](c1ccccc1)c1ccc(Br)cc1F ZINC000180300813 822659609 /nfs/dbraw/zinc/65/96/09/822659609.db2.gz CASSXCDNHNUEDF-IBGZPJMESA-N 1 0 393.300 4.136 20 0 GIADRO COc1ccccc1COc1cccc(NC(=O)N2CCC([NH+](C)C)CC2)c1C ZINC000180301855 822660044 /nfs/dbraw/zinc/66/00/44/822660044.db2.gz OBBWFQFCLBHOQH-UHFFFAOYSA-N 1 0 397.519 4.141 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)c1ccc(-c2ccccc2)cc1)c1ccc([S@@](C)=O)cc1 ZINC000184579619 822660748 /nfs/dbraw/zinc/66/07/48/822660748.db2.gz SNMIPNBTKVZIMI-XMFBKKLCSA-N 1 0 379.525 4.475 20 0 GIADRO Cc1cc2ncc([C@@H](C)[NH2+]C[C@H](O)c3ccc(-c4ccccc4)cc3)c(C)n2n1 ZINC000184585403 822661497 /nfs/dbraw/zinc/66/14/97/822661497.db2.gz YYNJTLOGVBFGLD-HXOBKFHXSA-N 1 0 386.499 4.397 20 0 GIADRO CC(=O)c1ccc(OCCCC(=O)Nc2cccc(CC[NH+]3CCCC3)c2)cc1 ZINC000180313798 822661850 /nfs/dbraw/zinc/66/18/50/822661850.db2.gz PFPOGHQZOIEUJE-UHFFFAOYSA-N 1 0 394.515 4.325 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1ccc(F)cc1Br)c1cccc(F)c1 ZINC000048451809 822663180 /nfs/dbraw/zinc/66/31/80/822663180.db2.gz VNGFEFMUWKDSOU-MRXNPFEDSA-N 1 0 398.251 4.152 20 0 GIADRO C[NH+](C)CCN(Cc1ccccc1)C(=O)Nc1ccc(F)cc1Br ZINC000048452540 822663349 /nfs/dbraw/zinc/66/33/49/822663349.db2.gz OSQHNVDSLRIIRM-UHFFFAOYSA-N 1 0 394.288 4.184 20 0 GIADRO CCN(CC)[C@H](C[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)c1ccco1 ZINC000180325716 822663612 /nfs/dbraw/zinc/66/36/12/822663612.db2.gz HIXIPSZSMPOIBV-DAWZGUTISA-N 1 0 379.545 4.088 20 0 GIADRO Cc1c(NC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)cccc1-c1ncco1 ZINC000455493137 822665397 /nfs/dbraw/zinc/66/53/97/822665397.db2.gz RILLOLWEBCDQJK-UHFFFAOYSA-N 1 0 396.466 4.385 20 0 GIADRO CC1(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000184617841 822666314 /nfs/dbraw/zinc/66/63/14/822666314.db2.gz UVUOAQPVJDBBKC-UHFFFAOYSA-N 1 0 391.515 4.276 20 0 GIADRO C[C@@H](CNC(=O)Nc1cccc(NC(=O)c2ccccc2)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000048479699 822666488 /nfs/dbraw/zinc/66/64/88/822666488.db2.gz AJEBUPVFJYHLHI-ROUUACIJSA-N 1 0 394.519 4.181 20 0 GIADRO CCOCC[N@@H+]1CCN(C(=O)Nc2ccc(-c3ccncc3)c(C)c2)C[C@@H]1CC ZINC000455499460 822666598 /nfs/dbraw/zinc/66/65/98/822666598.db2.gz DPAKKJKLYTZLIX-NRFANRHFSA-N 1 0 396.535 4.022 20 0 GIADRO CC1(C(=O)NCCCCOc2ccc(F)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000184640025 822669784 /nfs/dbraw/zinc/66/97/84/822669784.db2.gz OBWNCNZLQBQWKA-UHFFFAOYSA-N 1 0 398.522 4.403 20 0 GIADRO CC(C)Oc1ccc(-c2ccc(NC(=O)N3CC[C@@H]([NH+](C)C)C3)c(F)c2)cc1 ZINC000455519916 822669939 /nfs/dbraw/zinc/66/99/39/822669939.db2.gz VMZQKGVUAGOPLJ-GOSISDBHSA-N 1 0 385.483 4.448 20 0 GIADRO Cc1ccc(N[C@H](C)CCc2ccc3c(c2)OCO3)cc1NC(=O)CC[NH+](C)C ZINC000184656685 822671604 /nfs/dbraw/zinc/67/16/04/822671604.db2.gz UENLTBABKHIOOK-QGZVFWFLSA-N 1 0 397.519 4.047 20 0 GIADRO CC(C)COC[C@H]([NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)c1ccco1 ZINC000180378868 822672696 /nfs/dbraw/zinc/67/26/96/822672696.db2.gz VNYSIWCHGFPEDS-ABHNRTSZSA-N 1 0 380.529 4.419 20 0 GIADRO CN1CCC[C@@H](NC(=O)NC2CC[NH+](C3CCCCC3)CC2)c2ccccc21 ZINC000455550715 822673764 /nfs/dbraw/zinc/67/37/64/822673764.db2.gz JJCPNOFEXYCUFM-OAQYLSRUSA-N 1 0 384.568 4.054 20 0 GIADRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1ccc(Br)cc1C(F)(F)F ZINC000180387874 822674032 /nfs/dbraw/zinc/67/40/32/822674032.db2.gz BRCYQUQBONQZLB-LLVKDONJSA-N 1 0 393.247 4.072 20 0 GIADRO Brc1ccc2[nH]c(C[NH2+]C3CCN(Cc4ccncc4)CC3)cc2c1 ZINC000184674942 822674291 /nfs/dbraw/zinc/67/42/91/822674291.db2.gz IQULBAIPANXIRW-UHFFFAOYSA-N 1 0 399.336 4.080 20 0 GIADRO COCc1cc([C@@H](C)[NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)ccc1OC ZINC000180410236 822676983 /nfs/dbraw/zinc/67/69/83/822676983.db2.gz UOOAKYPRXFZGEB-GOSISDBHSA-N 1 0 396.531 4.319 20 0 GIADRO CCC(CC)n1nc(C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cc1C ZINC000180411011 822677313 /nfs/dbraw/zinc/67/73/13/822677313.db2.gz GDOYBZQYJGTHHL-UHFFFAOYSA-N 1 0 382.552 4.255 20 0 GIADRO COC(=O)N(C)c1ccc(NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000184695038 822677891 /nfs/dbraw/zinc/67/78/91/822677891.db2.gz JKOISRAYWWOBJP-UHFFFAOYSA-N 1 0 395.503 4.130 20 0 GIADRO CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)c1 ZINC000180419874 822678508 /nfs/dbraw/zinc/67/85/08/822678508.db2.gz SYSAXWVHQIZKCE-IRXDYDNUSA-N 1 0 395.503 4.479 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1cc(Cl)ccc1F ZINC000180422816 822679040 /nfs/dbraw/zinc/67/90/40/822679040.db2.gz APUDZAPXZPVEAP-UHFFFAOYSA-N 1 0 375.875 4.253 20 0 GIADRO CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@H](C)c2cnc3cc(C)nn3c2C)c1 ZINC000180423483 822679194 /nfs/dbraw/zinc/67/91/94/822679194.db2.gz BSWJFPWCRVVKJW-GOEBONIOSA-N 1 0 379.508 4.182 20 0 GIADRO CC(=O)Nc1cccc(C[NH2+]Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)c1 ZINC000048712808 822679373 /nfs/dbraw/zinc/67/93/73/822679373.db2.gz UOSYEYAIGIXIOA-UHFFFAOYSA-N 1 0 382.895 4.391 20 0 GIADRO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000048713724 822679398 /nfs/dbraw/zinc/67/93/98/822679398.db2.gz OQOMIIKWTZJSHE-UHFFFAOYSA-N 1 0 393.441 4.243 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3c(F)cccc3Cl)cc2)CC1 ZINC000180424702 822679490 /nfs/dbraw/zinc/67/94/90/822679490.db2.gz UGIREDOIICSHCH-UHFFFAOYSA-N 1 0 375.875 4.262 20 0 GIADRO C[C@H]1CC=C(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C(F)(F)F)CC1 ZINC000455588270 822679542 /nfs/dbraw/zinc/67/95/42/822679542.db2.gz GSOPSYULMCJAGY-AWEZNQCLSA-N 1 0 381.442 4.142 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000184705644 822679564 /nfs/dbraw/zinc/67/95/64/822679564.db2.gz QZVKPQJLZPQRDF-ROUUACIJSA-N 1 0 388.433 4.120 20 0 GIADRO CCCOc1cccc(CC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000180427593 822679875 /nfs/dbraw/zinc/67/98/75/822679875.db2.gz QFDXRUUVNANHIX-UHFFFAOYSA-N 1 0 395.547 4.178 20 0 GIADRO COc1cc(Cl)cc(C[NH2+]CCc2coc(-c3ccc(F)cc3)n2)c1O ZINC000184707659 822679913 /nfs/dbraw/zinc/67/99/13/822679913.db2.gz UZLZYVVXBTWKJF-UHFFFAOYSA-N 1 0 376.815 4.181 20 0 GIADRO O=C(NCCC1CC(F)(F)C1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000455591553 822680044 /nfs/dbraw/zinc/68/00/44/822680044.db2.gz BVGFCZCXPIHNJE-VQTJNVASSA-N 1 0 391.506 4.118 20 0 GIADRO CC[C@H]([NH2+]Cc1cc(C)ccc1OC)c1ccccc1OCC(=O)N1CCCC1 ZINC000048750496 822681351 /nfs/dbraw/zinc/68/13/51/822681351.db2.gz VUCYCRNKDKCQCV-NRFANRHFSA-N 1 0 396.531 4.246 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000184718182 822681401 /nfs/dbraw/zinc/68/14/01/822681401.db2.gz ABTNXKVLMQKRRK-MSOLQXFVSA-N 1 0 388.433 4.120 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2Cl)c1 ZINC000180436703 822681535 /nfs/dbraw/zinc/68/15/35/822681535.db2.gz KWLJVLIOZJYWAJ-LLVKDONJSA-N 1 0 380.275 4.241 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)Nc2ccc(Br)c(C3CC3)n2)CC1 ZINC000455598482 822681707 /nfs/dbraw/zinc/68/17/07/822681707.db2.gz OHHWRIQSRHDDKI-UHFFFAOYSA-N 1 0 395.345 4.060 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000180441627 822682647 /nfs/dbraw/zinc/68/26/47/822682647.db2.gz AJSSYWYSMNMXDY-FPOVZHCZSA-N 1 0 399.485 4.228 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]1C[C@]12CCc1ccccc12 ZINC000180441940 822682843 /nfs/dbraw/zinc/68/28/43/822682843.db2.gz HRAZSLWHRGEELV-ZCYQVOJMSA-N 1 0 389.543 4.051 20 0 GIADRO Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+]CCc2cnn(C)c2)c1 ZINC000048784662 822683093 /nfs/dbraw/zinc/68/30/93/822683093.db2.gz LMIDYNHYGQPZKO-UHFFFAOYSA-N 1 0 389.478 4.053 20 0 GIADRO C[N@H+](CCCCNC(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1)C1CC1 ZINC000455609162 822683794 /nfs/dbraw/zinc/68/37/94/822683794.db2.gz KRGUOKJJILAHHR-UHFFFAOYSA-N 1 0 397.485 4.469 20 0 GIADRO CC(=O)Nc1cccc(OCC[NH2+][C@H](C)c2ccc(F)cc2Br)c1 ZINC000180449934 822684277 /nfs/dbraw/zinc/68/42/77/822684277.db2.gz BTRDSEKBGHBMRV-GFCCVEGCSA-N 1 0 395.272 4.276 20 0 GIADRO O[C@H](C[NH2+]Cc1cccc(Br)c1)c1cccc(Br)c1 ZINC000048818686 822684453 /nfs/dbraw/zinc/68/44/53/822684453.db2.gz QRGNNPJJZQCZDJ-OAHLLOKOSA-N 1 0 385.099 4.035 20 0 GIADRO CS[C@H](C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000180450503 822684525 /nfs/dbraw/zinc/68/45/25/822684525.db2.gz IAAYUQVEHQGJAP-NRFANRHFSA-N 1 0 383.561 4.251 20 0 GIADRO C[N@H+](CCCCNC(=O)N(Cc1cccs1)Cc1cccs1)C1CC1 ZINC000455614534 822684756 /nfs/dbraw/zinc/68/47/56/822684756.db2.gz NRNVKVNGSHISSP-UHFFFAOYSA-N 1 0 377.579 4.396 20 0 GIADRO COCc1ccc(CNC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000048828356 822684901 /nfs/dbraw/zinc/68/49/01/822684901.db2.gz ZKEPRYGRUJQMKZ-LJQANCHMSA-N 1 0 395.547 4.064 20 0 GIADRO Cc1cc(C)c(NC(=O)CNC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)c(C)c1 ZINC000184743075 822685001 /nfs/dbraw/zinc/68/50/01/822685001.db2.gz QXCOVFIMPHUGOI-NHCUHLMSSA-N 1 0 393.575 4.297 20 0 GIADRO C[N@H+](CCCCNC(=O)N1CCC([C@@H](F)c2ccccc2F)CC1)C1CC1 ZINC000455619258 822685319 /nfs/dbraw/zinc/68/53/19/822685319.db2.gz QWTUDDBWCRSNEY-HXUWFJFHSA-N 1 0 379.495 4.132 20 0 GIADRO O=C(NNc1cc[nH+]cc1)c1ccccc1Oc1cccc(Br)c1 ZINC000180464750 822686831 /nfs/dbraw/zinc/68/68/31/822686831.db2.gz NFIWLCCTCDHYOH-UHFFFAOYSA-N 1 0 384.233 4.393 20 0 GIADRO C[N@@H+]1CCCN(CCC[NH2+][C@@H](c2ccc(F)cc2)c2ccccc2Cl)CC1 ZINC000180466890 822687194 /nfs/dbraw/zinc/68/71/94/822687194.db2.gz DHCORBDJKGATPT-QFIPXVFZSA-N 1 0 389.946 4.186 20 0 GIADRO C[NH+]1CCC2(CCCN2C(=O)Nc2cc(Cl)ccc2OC(F)(F)F)CC1 ZINC000455644347 822689887 /nfs/dbraw/zinc/68/98/87/822689887.db2.gz UWCWQZJDLRUPBW-UHFFFAOYSA-N 1 0 391.821 4.331 20 0 GIADRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CC(=O)N3CCCCCC3)s2)cc1 ZINC000184784883 822690487 /nfs/dbraw/zinc/69/04/87/822690487.db2.gz MRMWQEIALUVVDX-OAHLLOKOSA-N 1 0 387.549 4.180 20 0 GIADRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CCn3c(C)csc3=O)s2)cc1 ZINC000184791748 822691616 /nfs/dbraw/zinc/69/16/16/822691616.db2.gz CJUPTEWNYIPJMN-ZDUSSCGKSA-N 1 0 389.546 4.010 20 0 GIADRO O=C(c1ccc(C2SCCS2)cc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000049073797 822692144 /nfs/dbraw/zinc/69/21/44/822692144.db2.gz XGGXAZPBBSLXPO-UHFFFAOYSA-N 1 0 376.591 4.113 20 0 GIADRO Cc1ccccc1-c1ccc(Cl)c(C(=O)NCC2([NH+](C)C)CCOCC2)c1 ZINC000455654962 822692321 /nfs/dbraw/zinc/69/23/21/822692321.db2.gz JNAGEXJCANJHAJ-UHFFFAOYSA-N 1 0 386.923 4.156 20 0 GIADRO CC[NH+](CC)CC1CCN(C(=O)CCC(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000049078475 822692367 /nfs/dbraw/zinc/69/23/67/822692367.db2.gz GIRWAFOFJFHULB-UHFFFAOYSA-N 1 0 384.564 4.109 20 0 GIADRO COc1cc(C[NH2+][C@@H]2CCCc3nc(C)sc32)cc(Br)c1OC ZINC000180507211 822693095 /nfs/dbraw/zinc/69/30/95/822693095.db2.gz BVRHEGRTTSRVMF-CYBMUJFWSA-N 1 0 397.338 4.398 20 0 GIADRO CCOc1c(OC)cc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cccs2)cc1OC ZINC000180507628 822693332 /nfs/dbraw/zinc/69/33/32/822693332.db2.gz JUBUVOBXGXPULP-IRXDYDNUSA-N 1 0 391.533 4.252 20 0 GIADRO CCN(C(=O)Nc1ccc([C@@H]2CCOC2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000455659596 822693664 /nfs/dbraw/zinc/69/36/64/822693664.db2.gz GPBFVJFSGMCCCF-GGAORHGYSA-N 1 0 393.531 4.319 20 0 GIADRO C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)Nc1ccnn1CC[NH+](C)C ZINC000455662070 822694129 /nfs/dbraw/zinc/69/41/29/822694129.db2.gz UWZNGGVOVZMEHF-SFHVURJKSA-N 1 0 391.519 4.337 20 0 GIADRO C[NH+](C)Cc1c2ccccc2oc1C(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000180513854 822694410 /nfs/dbraw/zinc/69/44/10/822694410.db2.gz ZBOJBHXFKUGMMJ-QUCCMNQESA-N 1 0 398.890 4.408 20 0 GIADRO C[C@@H]([NH2+]C(C)(C)CNC(=O)Nc1ccc([C@@H]2CCOC2)cc1)c1ccccc1 ZINC000455663139 822694467 /nfs/dbraw/zinc/69/44/67/822694467.db2.gz LEOBMISYDFHPEL-YLJYHZDGSA-N 1 0 381.520 4.441 20 0 GIADRO CS(=O)(=O)c1cccc([C@H]([NH2+]C[C@@H]2CCc3ccccc32)c2ccccc2)c1 ZINC000180517380 822694778 /nfs/dbraw/zinc/69/47/78/822694778.db2.gz MBOREFYIYCAWTB-XUZZJYLKSA-N 1 0 391.536 4.499 20 0 GIADRO COc1cccc([C@@H](O)C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c1 ZINC000180519279 822695266 /nfs/dbraw/zinc/69/52/66/822695266.db2.gz MWGTUWGDUQSEKZ-FCHUYYIVSA-N 1 0 378.428 4.016 20 0 GIADRO C[C@@H](c1ccc(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)cc1)C(F)(F)F ZINC000455666729 822695506 /nfs/dbraw/zinc/69/55/06/822695506.db2.gz OJFSHPHPPBDKFI-ZDUSSCGKSA-N 1 0 382.401 4.483 20 0 GIADRO CN(C(=O)Nc1ccc(C2CCC2)cn1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000455676200 822697929 /nfs/dbraw/zinc/69/79/29/822697929.db2.gz QFHMVXGVZNRJIU-UHFFFAOYSA-N 1 0 384.446 4.230 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(F)c(Br)cc2C)[C@H](C)C1 ZINC000184838669 822698182 /nfs/dbraw/zinc/69/81/82/822698182.db2.gz CHODDXFJRBXLDA-WBMJQRKESA-N 1 0 386.309 4.091 20 0 GIADRO C[C@H]([NH2+]C[C@H](c1cccc(Cl)c1)N1CCOCC1)c1ccc(Cl)nc1 ZINC000180536259 822698252 /nfs/dbraw/zinc/69/82/52/822698252.db2.gz KBSGABHHHLHSJK-KBXCAEBGSA-N 1 0 380.319 4.113 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](c1cccc(Cl)c1)N1CCOCC1)c1ccc(Cl)nc1 ZINC000180536241 822698254 /nfs/dbraw/zinc/69/82/54/822698254.db2.gz KBSGABHHHLHSJK-KDOFPFPSSA-N 1 0 380.319 4.113 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2O)C1 ZINC000180537108 822698295 /nfs/dbraw/zinc/69/82/95/822698295.db2.gz LSEIPBMOCTXGBG-CABCVRRESA-N 1 0 384.442 4.138 20 0 GIADRO COCC[C@@](C)(O)C[NH2+][C@H](c1ccccc1)c1cc(Br)ccc1F ZINC000180556602 822701772 /nfs/dbraw/zinc/70/17/72/822701772.db2.gz CFIYGLOYYJZQGT-RTBURBONSA-N 1 0 396.300 4.055 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1cc(C2CC2)nc2ccccc21 ZINC000180557463 822702055 /nfs/dbraw/zinc/70/20/55/822702055.db2.gz RWOMMUQVNCIIRG-UHFFFAOYSA-N 1 0 386.499 4.154 20 0 GIADRO Cc1cccnc1/C=C/C(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000184861467 822702161 /nfs/dbraw/zinc/70/21/61/822702161.db2.gz NHVNEYXDLKQMMK-MDZDMXLPSA-N 1 0 391.437 4.012 20 0 GIADRO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C)CC3 ZINC000180560969 822702703 /nfs/dbraw/zinc/70/27/03/822702703.db2.gz VERPLBXOVNGJCJ-YCRNBWNJSA-N 1 0 388.559 4.229 20 0 GIADRO CCc1noc(-c2ccc(CC[NH2+][C@H](C)c3cccc(NC(C)=O)c3)cc2)n1 ZINC000180560998 822702771 /nfs/dbraw/zinc/70/27/71/822702771.db2.gz MRYHVCKSPOKUFR-OAHLLOKOSA-N 1 0 378.476 4.151 20 0 GIADRO COc1ccc(NC(=O)[C@H](C)N[C@@H](C)c2ncc(-c3ccccc3)o2)c(OC)c1 ZINC000184869968 822704173 /nfs/dbraw/zinc/70/41/73/822704173.db2.gz CIFSIAFMBYVEME-GJZGRUSLSA-N 1 0 395.459 4.037 20 0 GIADRO O[C@H](C[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1)COCc1ccccc1F ZINC000180573486 822704685 /nfs/dbraw/zinc/70/46/85/822704685.db2.gz HDQXCDHNLMADSX-SJLPKXTDSA-N 1 0 389.364 4.126 20 0 GIADRO CCOc1cc(CCC[NH2+][C@H](c2cnn(C)c2)c2cccc(F)c2)ccc1OC ZINC000180578718 822705698 /nfs/dbraw/zinc/70/56/98/822705698.db2.gz VJFBFMQYWSTFFK-QHCPKHFHSA-N 1 0 397.494 4.278 20 0 GIADRO CN1C[C@@H]([NH2+][C@@H](c2ccc(Cl)cc2)c2ccc(OC(F)F)cc2)CCC1=O ZINC000180586444 822706623 /nfs/dbraw/zinc/70/66/23/822706623.db2.gz LQWSUPKAZWESSC-LPHOPBHVSA-N 1 0 394.849 4.241 20 0 GIADRO COc1cc(OC)c(OC)cc1C[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000184883724 822706634 /nfs/dbraw/zinc/70/66/34/822706634.db2.gz UGXLBCLXLHQVBN-NSHDSACASA-N 1 0 396.281 4.031 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)N3CCC[C@H]3c3cccc(F)c3)c2)CC1 ZINC000184884973 822706989 /nfs/dbraw/zinc/70/69/89/822706989.db2.gz AGTRFLVPCIGIFU-QFIPXVFZSA-N 1 0 396.510 4.337 20 0 GIADRO CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1[NH2+]Cc1nc(C(F)(F)F)cs1 ZINC000180597895 822708331 /nfs/dbraw/zinc/70/83/31/822708331.db2.gz LGGQSEGELCEMJA-NEPJUHHUSA-N 1 0 393.475 4.335 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)N1CCC[C@@H]1c1ccsc1)[NH+]1CCCC1 ZINC000049790209 822709660 /nfs/dbraw/zinc/70/96/60/822709660.db2.gz TWGDINBVTBNIQE-UXHICEINSA-N 1 0 399.560 4.440 20 0 GIADRO C[C@@H](c1nc2ccccc2s1)N(C)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000049795099 822709864 /nfs/dbraw/zinc/70/98/64/822709864.db2.gz AUXBKZVPWZZLGU-FUHWJXTLSA-N 1 0 396.560 4.172 20 0 GIADRO COc1ccc([C@@H]([NH2+]CCCOC[C@H]2CCOC2)c2ccccc2Cl)cc1 ZINC000180604293 822710152 /nfs/dbraw/zinc/71/01/52/822710152.db2.gz AHPMHVNGBJUMSF-VGOFRKELSA-N 1 0 389.923 4.471 20 0 GIADRO Cc1nn(C)c(C)c1CCC[NH2+][C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000180604453 822710176 /nfs/dbraw/zinc/71/01/76/822710176.db2.gz WHBRSMSSCWUMJH-QFIPXVFZSA-N 1 0 394.494 4.078 20 0 GIADRO COc1cccc([C@@H](CNC(=O)N(C)[C@@H]2CCCc3ccccc32)[NH+](C)C)c1 ZINC000049798663 822710300 /nfs/dbraw/zinc/71/03/00/822710300.db2.gz AKCUTRCHEZNMCQ-FGZHOGPDSA-N 1 0 381.520 4.017 20 0 GIADRO CCN(C)C(=O)C[NH2+][C@@H](C)c1sc(-c2ccc(Br)cc2)nc1C ZINC000184906368 822711098 /nfs/dbraw/zinc/71/10/98/822711098.db2.gz VWAUTSVOOMEFQS-NSHDSACASA-N 1 0 396.354 4.010 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)N[C@H]3CCSc4ccccc43)c2)CC1 ZINC000184912160 822712162 /nfs/dbraw/zinc/71/21/62/822712162.db2.gz LLOMZBLMVQUSPB-FQEVSTJZSA-N 1 0 396.560 4.187 20 0 GIADRO Cc1c(=O)c2cccc(C(=O)NCC(C)(C)C[NH+](C)C)c2oc1-c1ccccc1 ZINC000049946116 822712300 /nfs/dbraw/zinc/71/23/00/822712300.db2.gz FCYIWCOTHNALJW-UHFFFAOYSA-N 1 0 392.499 4.086 20 0 GIADRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)Nc1cn(C)nc1C1CCCCC1)c1ccco1 ZINC000455718821 822712684 /nfs/dbraw/zinc/71/26/84/822712684.db2.gz LLSONIVFNVMQBK-WBVHZDCISA-N 1 0 387.528 4.312 20 0 GIADRO C[C@H](CNC(=O)Nc1cn(C)nc1C1CCCCC1)[N@H+](C)Cc1ccccc1 ZINC000455720746 822713206 /nfs/dbraw/zinc/71/32/06/822713206.db2.gz VGTUZHNWJBOBCK-QGZVFWFLSA-N 1 0 383.540 4.110 20 0 GIADRO Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c(C2CC2)n1 ZINC000455722113 822713580 /nfs/dbraw/zinc/71/35/80/822713580.db2.gz XKLSAXRPCFJQMQ-GHTZIAJQSA-N 1 0 377.532 4.393 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc3cc(C(=O)OC)sc32)C[C@@H]1C ZINC000455724082 822713940 /nfs/dbraw/zinc/71/39/40/822713940.db2.gz ZSNFQNBFBKZRGF-ZFWWWQNUSA-N 1 0 389.521 4.024 20 0 GIADRO CSc1ccc([C@H](CNC(=O)Nc2ccccc2OCCF)[NH+](C)C)cc1 ZINC000455729032 822715686 /nfs/dbraw/zinc/71/56/86/822715686.db2.gz BKTRNEQCTIJIGN-SFHVURJKSA-N 1 0 391.512 4.181 20 0 GIADRO O=C(NCCCCC[NH+]1CCCCC1)Nc1nc(CC(F)(F)F)cs1 ZINC000455731069 822716060 /nfs/dbraw/zinc/71/60/60/822716060.db2.gz UCSYPBDMFBQWFC-UHFFFAOYSA-N 1 0 378.464 4.026 20 0 GIADRO COc1c(F)cc(NC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1F ZINC000050058206 822716460 /nfs/dbraw/zinc/71/64/60/822716460.db2.gz AKHMCKKSSGGVCU-ZDUSSCGKSA-N 1 0 395.475 4.069 20 0 GIADRO O=C(Nc1ccc(OCc2ccccc2F)cc1)NC1CC[NH+](C2CC2)CC1 ZINC000050082886 822717893 /nfs/dbraw/zinc/71/78/93/822717893.db2.gz AAYXGZHHPVMDLZ-UHFFFAOYSA-N 1 0 383.467 4.153 20 0 GIADRO CCOC(=O)CC[NH2+][C@H](C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000184954908 822717984 /nfs/dbraw/zinc/71/79/84/822717984.db2.gz IZFYFYINAOXFHZ-LLVKDONJSA-N 1 0 383.311 4.176 20 0 GIADRO CCCn1ncc(NC(=O)N[C@@H]2CCCC[C@H]2C[NH+](CC)CC)c1C1CC1 ZINC000455746416 822718956 /nfs/dbraw/zinc/71/89/56/822718956.db2.gz DZCGYGKORKTGKH-ZWKOTPCHSA-N 1 0 375.561 4.193 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[NH2+][C@H](Cc2ccccc2)c2cccs2)c1 ZINC000184973376 822720147 /nfs/dbraw/zinc/72/01/47/822720147.db2.gz DLZZZDFHRJYEAV-LJQANCHMSA-N 1 0 396.512 4.277 20 0 GIADRO COCc1cccc(CNC(=O)C[NH2+][C@H](Cc2ccccc2)c2cccs2)c1 ZINC000184973335 822720188 /nfs/dbraw/zinc/72/01/88/822720188.db2.gz HGZFUBSDBBPIHA-OAQYLSRUSA-N 1 0 394.540 4.084 20 0 GIADRO Cc1cc([C@@H]2CCCN2C(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)on1 ZINC000050156491 822720585 /nfs/dbraw/zinc/72/05/85/822720585.db2.gz WOKCNFXSEYDBBF-SFTDATJTSA-N 1 0 396.535 4.303 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2c(C)ccc(F)c2Br)C1 ZINC000455756756 822720571 /nfs/dbraw/zinc/72/05/71/822720571.db2.gz SVMYMXBZFBEUHS-ZDUSSCGKSA-N 1 0 386.309 4.092 20 0 GIADRO CCCn1ncc(NC(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1C1CC1 ZINC000455761105 822721445 /nfs/dbraw/zinc/72/14/45/822721445.db2.gz XPABDJYNRNEQTP-XLIONFOSSA-N 1 0 395.551 4.203 20 0 GIADRO CCCn1ncc(NC(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1C1CC1 ZINC000455761104 822721449 /nfs/dbraw/zinc/72/14/49/822721449.db2.gz XPABDJYNRNEQTP-PXNSSMCTSA-N 1 0 395.551 4.203 20 0 GIADRO CCCn1ncc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1C1CC1 ZINC000455761787 822721660 /nfs/dbraw/zinc/72/16/60/822721660.db2.gz ZCEWTDFAOZGDJV-YLJYHZDGSA-N 1 0 395.551 4.203 20 0 GIADRO O=C(c1ccc(C[N@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)cc1)N1CCCC1 ZINC000050231625 822721946 /nfs/dbraw/zinc/72/19/46/822721946.db2.gz CAUZUVXHWVIBQY-QHCPKHFHSA-N 1 0 396.506 4.243 20 0 GIADRO O=C(Nc1ccc(F)cc1)C1CC[NH+](C[C@@H](O)c2ccc(F)cc2Cl)CC1 ZINC000184995599 822722988 /nfs/dbraw/zinc/72/29/88/822722988.db2.gz NUEMJNFUZFOBLF-LJQANCHMSA-N 1 0 394.849 4.002 20 0 GIADRO COc1ccc(NC(=O)C[NH2+][C@@H](Cc2ccccc2)c2cccs2)cc1OC ZINC000184997491 822723412 /nfs/dbraw/zinc/72/34/12/822723412.db2.gz LDRJRVSNWDSVKX-SFHVURJKSA-N 1 0 396.512 4.277 20 0 GIADRO C[C@@H]([NH2+]C1CCC(O)(c2cccnc2)CC1)c1ccc(Br)cc1 ZINC000185007122 822724658 /nfs/dbraw/zinc/72/46/58/822724658.db2.gz RKDMGUZWQYBYHG-FTXHTYHOSA-N 1 0 375.310 4.325 20 0 GIADRO CCOc1ccc(Cl)c(NC(=O)NCc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000455783628 822726068 /nfs/dbraw/zinc/72/60/68/822726068.db2.gz VRUQUKMVGABSJC-UHFFFAOYSA-N 1 0 391.899 4.001 20 0 GIADRO CCOc1ccc(Cl)c(NC(=O)N(CC[NH+](C)C)Cc2cccs2)c1 ZINC000455783695 822726076 /nfs/dbraw/zinc/72/60/76/822726076.db2.gz VVJFMKKWQGQHMM-UHFFFAOYSA-N 1 0 381.929 4.396 20 0 GIADRO CCOc1ccc(Cl)c(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000455787510 822726624 /nfs/dbraw/zinc/72/66/24/822726624.db2.gz YTMHGQLFMCHRLA-KUHUBIRLSA-N 1 0 377.916 4.219 20 0 GIADRO C[C@H]1C[NH+](CC2CCN(C(=O)Nc3ccccc3C(C)(F)F)CC2)C[C@H](C)O1 ZINC000455806775 822729899 /nfs/dbraw/zinc/72/98/99/822729899.db2.gz LOLJKHUONRGLOP-HOTGVXAUSA-N 1 0 395.494 4.151 20 0 GIADRO CC(C)C(=O)c1ccc(NC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)cc1 ZINC000455809187 822730296 /nfs/dbraw/zinc/73/02/96/822730296.db2.gz BMDFNSXLIKROKQ-UHFFFAOYSA-N 1 0 385.483 4.260 20 0 GIADRO CCCn1ncc(NC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c1C1CC1 ZINC000455826755 822732782 /nfs/dbraw/zinc/73/27/82/822732782.db2.gz JUMKJVJKLPWDGP-KRWDZBQOSA-N 1 0 387.553 4.191 20 0 GIADRO Cc1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c(C2CC2)n1 ZINC000455830768 822733299 /nfs/dbraw/zinc/73/32/99/822733299.db2.gz SWTYWCHZDXHQMK-VWLOTQADSA-N 1 0 389.543 4.396 20 0 GIADRO CCCn1ncc(NC(=O)NC[C@H](c2ccsc2)[NH+](CC)CC)c1C1CC1 ZINC000455829797 822733348 /nfs/dbraw/zinc/73/33/48/822733348.db2.gz MRSCYBISKNDFNL-GOSISDBHSA-N 1 0 389.569 4.437 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCc3ccc(OC(C)(C)C)nc3)ccc21 ZINC000455836101 822734075 /nfs/dbraw/zinc/73/40/75/822734075.db2.gz ARESVLSWANUGBI-LJQANCHMSA-N 1 0 382.508 4.130 20 0 GIADRO C[N@H+](Cc1ccccc1CNC(=O)Cc1n[nH]c2ccccc12)C1CCCCC1 ZINC000050603121 822734497 /nfs/dbraw/zinc/73/44/97/822734497.db2.gz SSFQVXRKRXMTPO-UHFFFAOYSA-N 1 0 390.531 4.186 20 0 GIADRO CCCn1ncc(NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1C1CC1 ZINC000455837683 822734618 /nfs/dbraw/zinc/73/46/18/822734618.db2.gz VSTSIVXWMMNQMJ-UHFFFAOYSA-N 1 0 395.551 4.478 20 0 GIADRO CCn1ccnc1[C@H]1CCCCN1C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455837565 822734619 /nfs/dbraw/zinc/73/46/19/822734619.db2.gz BKUZCVZKBCEWNS-VQTJNVASSA-N 1 0 381.524 4.211 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CCC[C@H]3COc3ccccc3)ccc21 ZINC000455843344 822735701 /nfs/dbraw/zinc/73/57/01/822735701.db2.gz GPUVUYVHRWVIQW-UGKGYDQZSA-N 1 0 379.504 4.311 20 0 GIADRO CC(C)c1ncsc1NC(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000455844566 822735822 /nfs/dbraw/zinc/73/58/22/822735822.db2.gz LACFRVBIMJGBLK-HZPDHXFCSA-N 1 0 394.585 4.010 20 0 GIADRO CN(CCOc1ccccc1Cl)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455846864 822736175 /nfs/dbraw/zinc/73/61/75/822736175.db2.gz BSICGLXDMOYSRV-IBGZPJMESA-N 1 0 387.911 4.432 20 0 GIADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1scnc1C(C)C ZINC000455852226 822737051 /nfs/dbraw/zinc/73/70/51/822737051.db2.gz VLXPGHXZKKHPSE-QGZVFWFLSA-N 1 0 387.553 4.180 20 0 GIADRO COC[C@H](NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)c1ccc(F)c(F)c1 ZINC000455854528 822737515 /nfs/dbraw/zinc/73/75/15/822737515.db2.gz MZMBZYYXDFVBCM-VQTJNVASSA-N 1 0 389.446 4.023 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N[C@@H]3CCOc4c(F)ccc(F)c43)ccc21 ZINC000455859163 822738392 /nfs/dbraw/zinc/73/83/92/822738392.db2.gz PPGGQSFQVAAREO-QZTJIDSGSA-N 1 0 387.430 4.159 20 0 GIADRO Cc1cc(N2CCSCC2)ccc1NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000050806751 822739240 /nfs/dbraw/zinc/73/92/40/822739240.db2.gz YHURRRYDXVHCMU-UHFFFAOYSA-N 1 0 395.572 4.396 20 0 GIADRO Cc1cc(N2CCSCC2)ccc1NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000050806528 822739328 /nfs/dbraw/zinc/73/93/28/822739328.db2.gz PUCJMJBCIHWPIK-QFIPXVFZSA-N 1 0 395.572 4.151 20 0 GIADRO COc1sc(C[NH2+]C[C@@](C)(O)c2cccc(Cl)c2)cc1Br ZINC000185119526 822739553 /nfs/dbraw/zinc/73/95/53/822739553.db2.gz SYWGDTKHIJXTAJ-OAHLLOKOSA-N 1 0 390.730 4.170 20 0 GIADRO COCCC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455867864 822739709 /nfs/dbraw/zinc/73/97/09/822739709.db2.gz VIFCVYVRLVZSIB-REWPJTCUSA-N 1 0 395.547 4.395 20 0 GIADRO C[C@@H](c1ccsc1)N1CCN(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC1 ZINC000455867955 822739727 /nfs/dbraw/zinc/73/97/27/822739727.db2.gz VSBADEKUKJHQSN-KKSFZXQISA-N 1 0 398.576 4.208 20 0 GIADRO COCCC[C@H](Cc1ccccc1)NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455867863 822739758 /nfs/dbraw/zinc/73/97/58/822739758.db2.gz VIFCVYVRLVZSIB-OFNKIYASSA-N 1 0 395.547 4.395 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC[C@H]3CCN(c4ccccc4F)C3)ccc21 ZINC000455872775 822740622 /nfs/dbraw/zinc/74/06/22/822740622.db2.gz ZCYWIIKFANYDTK-IIBYNOLFSA-N 1 0 396.510 4.023 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc3c(n2)CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000455884133 822742216 /nfs/dbraw/zinc/74/22/16/822742216.db2.gz MLMUHTTUDVPWBX-YLJYHZDGSA-N 1 0 378.520 4.087 20 0 GIADRO COc1ccccc1NC(=O)C1CC[NH+](Cc2cccc(OC(F)F)c2)CC1 ZINC000050960029 822743277 /nfs/dbraw/zinc/74/32/77/822743277.db2.gz JNJYTGJDXZOEAS-UHFFFAOYSA-N 1 0 390.430 4.147 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCC(OCc4ccccc4)CC3)ccc21 ZINC000455891575 822743417 /nfs/dbraw/zinc/74/34/17/822743417.db2.gz BVBWCWCVOFDMMC-HSZRJFAPSA-N 1 0 393.531 4.449 20 0 GIADRO Cc1ccc(Cl)cc1N1CC[NH+](CC2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC000185154834 822743635 /nfs/dbraw/zinc/74/36/35/822743635.db2.gz ZXJDGWGZFKKVTN-UHFFFAOYSA-N 1 0 391.987 4.055 20 0 GIADRO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000051049241 822744882 /nfs/dbraw/zinc/74/48/82/822744882.db2.gz DWEVDEHKYBFBRM-DENIHFKCSA-N 1 0 395.547 4.177 20 0 GIADRO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC2CCN(C(=O)C(C)(C)C)CC2)c1 ZINC000185169968 822745167 /nfs/dbraw/zinc/74/51/67/822745167.db2.gz QDEVSJKEBKFOQJ-HXUWFJFHSA-N 1 0 388.552 4.125 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)NCc3ccc(Br)s3)ccc21 ZINC000455902914 822745625 /nfs/dbraw/zinc/74/56/25/822745625.db2.gz GPDZFXOGDONQPZ-HNNXBMFYSA-N 1 0 394.338 4.381 20 0 GIADRO COCCN(C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)[C@@H](C)c1ccccc1 ZINC000455905410 822746042 /nfs/dbraw/zinc/74/60/42/822746042.db2.gz HMFCZXQWUPOGEQ-HTAPYJJXSA-N 1 0 381.520 4.477 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1cc2c(cc1Br)OCCO2)c1cc(F)ccc1O ZINC000185180351 822746109 /nfs/dbraw/zinc/74/61/09/822746109.db2.gz MXGKYFIFKAECBT-WDEREUQCSA-N 1 0 396.256 4.477 20 0 GIADRO Cc1ccc(C(=O)NC2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)s1 ZINC000051099112 822746353 /nfs/dbraw/zinc/74/63/53/822746353.db2.gz ZEROSWMHYXLFGA-UHFFFAOYSA-N 1 0 382.451 4.470 20 0 GIADRO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132662 822747291 /nfs/dbraw/zinc/74/72/91/822747291.db2.gz XKMSQEVXASGNBX-UTSGNWPNSA-N 1 0 398.522 4.445 20 0 GIADRO C[C@@H](c1cc(F)ccc1F)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000185190122 822747326 /nfs/dbraw/zinc/74/73/26/822747326.db2.gz XIQIANKCUMRLBR-NSHDSACASA-N 1 0 381.354 4.034 20 0 GIADRO CC(C)c1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000185189847 822747393 /nfs/dbraw/zinc/74/73/93/822747393.db2.gz LPNILWDEXBYVGH-KXBFYZLASA-N 1 0 389.540 4.030 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCC(OCC4CCCC4)CC3)ccc21 ZINC000455910847 822747486 /nfs/dbraw/zinc/74/74/86/822747486.db2.gz IWDADPQQGCBNOX-JOCHJYFZSA-N 1 0 385.552 4.439 20 0 GIADRO C[N@@H+](CC(=O)NCc1ccc(Cl)cc1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133457 822747510 /nfs/dbraw/zinc/74/75/10/822747510.db2.gz CMHBKJGTXVCSHE-SIKLNZKXSA-N 1 0 386.923 4.056 20 0 GIADRO C[N@@H+](CC(=O)N1CCCc2ccccc21)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133376 822747560 /nfs/dbraw/zinc/74/75/60/822747560.db2.gz BMVVKWDKVZKVND-ZJSXRUAMSA-N 1 0 378.516 4.066 20 0 GIADRO C[C@@H](NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)c1cccc(-n2ccnc2)c1 ZINC000455915546 822748541 /nfs/dbraw/zinc/74/85/41/822748541.db2.gz KERWJLPZVACDBM-OPAMFIHVSA-N 1 0 389.503 4.304 20 0 GIADRO C[C@@H]1CN(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C[C@@H](c2ccccc2)O1 ZINC000455918304 822749219 /nfs/dbraw/zinc/74/92/19/822749219.db2.gz LAYYKPBAMPYIFX-HVETUWLQSA-N 1 0 379.504 4.229 20 0 GIADRO CC(=O)Nc1ccc(C[NH2+][C@H]2CCN(c3ccccc3C(F)(F)F)C2)cc1 ZINC000185204244 822749224 /nfs/dbraw/zinc/74/92/24/822749224.db2.gz URPOIXDKKXCBNF-KRWDZBQOSA-N 1 0 377.410 4.032 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CCN(c4ccccc4Cl)CC3)ccc21 ZINC000455926814 822750774 /nfs/dbraw/zinc/75/07/74/822750774.db2.gz NJQAUANPMWICDI-FQEVSTJZSA-N 1 0 398.938 4.243 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)NCCOCc3ccc(Cl)cc3)ccc21 ZINC000455926782 822750835 /nfs/dbraw/zinc/75/08/35/822750835.db2.gz NHHLIEVOZJBLBY-FQEVSTJZSA-N 1 0 387.911 4.227 20 0 GIADRO C[C@H]1CN(C)c2ccccc2CN1C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455928060 822751140 /nfs/dbraw/zinc/75/11/40/822751140.db2.gz NUANBGUKQJXIPM-AOMKIAJQSA-N 1 0 378.520 4.108 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)NC[C@H]3SCCc4ccccc43)ccc21 ZINC000455929978 822751426 /nfs/dbraw/zinc/75/14/26/822751426.db2.gz OONISDGGSLGXOZ-LEWJYISDSA-N 1 0 381.545 4.388 20 0 GIADRO CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000051237676 822751704 /nfs/dbraw/zinc/75/17/04/822751704.db2.gz CUKACADQMOWWDK-IFMALSPDSA-N 1 0 381.520 4.380 20 0 GIADRO COc1ccc([C@@H]2CCN(C(=O)Nc3ccc4c(c3)CC[C@H]4[NH+](C)C)C2)cc1 ZINC000455933987 822752505 /nfs/dbraw/zinc/75/25/05/822752505.db2.gz QWWXHQSTLFGRJL-XMSQKQJNSA-N 1 0 379.504 4.266 20 0 GIADRO COc1cc(C[N@H+](C[C@@H](O)c2ccc(F)c(F)c2)C2CC2)ccc1OC(F)F ZINC000051262165 822752488 /nfs/dbraw/zinc/75/24/88/822752488.db2.gz WURZEAUBVNNPTN-QGZVFWFLSA-N 1 0 399.384 4.273 20 0 GIADRO COc1ccc(C[C@@H](C)C[NH+]2CCC(NC(=O)c3ccccc3C)CC2)cc1F ZINC000185238346 822753249 /nfs/dbraw/zinc/75/32/49/822753249.db2.gz LBWJAZRKADWBEU-QGZVFWFLSA-N 1 0 398.522 4.216 20 0 GIADRO CN(CCCOc1ccc(F)cc1)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455938655 822753327 /nfs/dbraw/zinc/75/33/27/822753327.db2.gz SXZUSUKSGVSOKU-OAQYLSRUSA-N 1 0 385.483 4.307 20 0 GIADRO C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455939776 822753647 /nfs/dbraw/zinc/75/36/47/822753647.db2.gz SZNDFAMNKNLDQL-WCADHIDISA-N 1 0 399.560 4.198 20 0 GIADRO O[C@@H](C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)c1ccc(C(F)(F)F)cc1 ZINC000051285218 822754340 /nfs/dbraw/zinc/75/43/40/822754340.db2.gz AKDITKCVMLDOJQ-MSOLQXFVSA-N 1 0 393.405 4.347 20 0 GIADRO C[C@H]1CCCN(C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)CC1 ZINC000455943025 822754581 /nfs/dbraw/zinc/75/45/81/822754581.db2.gz LITOKPITSZDXCN-HNNXBMFYSA-N 1 0 379.932 4.467 20 0 GIADRO CC[NH+](CC)CCOc1ccc(NC(=O)N2C[C@H](C)C[C@H]2c2cccnc2)cc1 ZINC000185257744 822755482 /nfs/dbraw/zinc/75/54/82/822755482.db2.gz XXNQQDWMZJOSSM-GCJKJVERSA-N 1 0 396.535 4.417 20 0 GIADRO COc1ccc(C[C@@H](C)CNc2ccc(NC(=O)CC[NH+](C)C)cc2)cc1F ZINC000185261894 822756223 /nfs/dbraw/zinc/75/62/23/822756223.db2.gz JPHQRCQQVUJHID-MRXNPFEDSA-N 1 0 387.499 4.015 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(OCC2CC2)nc1)c1cc(Br)ccc1O ZINC000185261648 822756282 /nfs/dbraw/zinc/75/62/82/822756282.db2.gz GBNOYOQXRZXAIQ-LBPRGKRZSA-N 1 0 377.282 4.189 20 0 GIADRO C[C@@H]1C[C@H](c2cccnc2)N(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000185268958 822757305 /nfs/dbraw/zinc/75/73/05/822757305.db2.gz AJXVKVJFKYEXDH-AUSIDOKSSA-N 1 0 392.547 4.360 20 0 GIADRO C[C@H]([NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1nc(C2CCCCC2)no1 ZINC000185273672 822757914 /nfs/dbraw/zinc/75/79/14/822757914.db2.gz DRHMONRQTCAQND-LSDHHAIUSA-N 1 0 378.517 4.025 20 0 GIADRO Fc1cc(C[NH2+][C@@H]2CCSc3ccc(Cl)cc32)cnc1N1CCOCC1 ZINC000185277175 822758425 /nfs/dbraw/zinc/75/84/25/822758425.db2.gz IKSLJOPUQHEGFT-QGZVFWFLSA-N 1 0 393.915 4.037 20 0 GIADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)Nc3cc(Cl)cc(Br)c3)C2)C1 ZINC000455973956 822759718 /nfs/dbraw/zinc/75/97/18/822759718.db2.gz RTDHTXQMOKJHMC-MRXNPFEDSA-N 1 0 386.721 4.052 20 0 GIADRO Cc1ncsc1C[NH2+]CC1(c2cccc(Br)c2)CCOCC1 ZINC000174283234 822762524 /nfs/dbraw/zinc/76/25/24/822762524.db2.gz ZDEKKVOFAVOMDQ-UHFFFAOYSA-N 1 0 381.339 4.052 20 0 GIADRO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)C1=CC[C@@H](C)CC1 ZINC000455994895 822763526 /nfs/dbraw/zinc/76/35/26/822763526.db2.gz LURKXVVKDAUALZ-UTKZUKDTSA-N 1 0 378.520 4.323 20 0 GIADRO CC(C)([C@@H](NC(=O)[C@@H]1C[C@H]1c1cccnc1)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000455996145 822763750 /nfs/dbraw/zinc/76/37/50/822763750.db2.gz BCJXHWICBPVHRS-UEXGIBASSA-N 1 0 399.485 4.195 20 0 GIADRO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000455998666 822764116 /nfs/dbraw/zinc/76/41/16/822764116.db2.gz QZYIDWCDBKCBCR-JJJJLYANSA-N 1 0 382.935 4.470 20 0 GIADRO CC(C)NC(=O)Nc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)cc1 ZINC000185316620 822764888 /nfs/dbraw/zinc/76/48/88/822764888.db2.gz JEPRSYBGEXKFQT-UHFFFAOYSA-N 1 0 376.844 4.068 20 0 GIADRO COc1ccc(C[NH2+][C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1Cl ZINC000185359016 822770833 /nfs/dbraw/zinc/77/08/33/822770833.db2.gz ZHYOEQZQOQEXBW-IBGZPJMESA-N 1 0 376.859 4.071 20 0 GIADRO CCCC[C@@H]([NH2+]Cc1scnc1C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000174329212 822772089 /nfs/dbraw/zinc/77/20/89/822772089.db2.gz OOMHVUZSGMZHEA-LJQANCHMSA-N 1 0 386.565 4.339 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)N[C@H](C[N@H+](C)Cc2ccccc2)C(C)C)c1C ZINC000185364637 822772453 /nfs/dbraw/zinc/77/24/53/822772453.db2.gz LBNZJDFCQDRVEG-JOCHJYFZSA-N 1 0 396.535 4.232 20 0 GIADRO CCC[C@H]([NH2+]Cc1ccc(COC)cc1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000174332797 822772759 /nfs/dbraw/zinc/77/27/59/822772759.db2.gz NAPIKSFVPFYJBR-QHCPKHFHSA-N 1 0 395.547 4.330 20 0 GIADRO COc1ccc([C@H](CNC(=O)N(C)C(C2CC2)C2CC2)[NH+]2CCCCC2)cc1 ZINC000051676151 822773262 /nfs/dbraw/zinc/77/32/62/822773262.db2.gz GXLOVDHYVNRHGK-NRFANRHFSA-N 1 0 385.552 4.052 20 0 GIADRO CN1CCC(CNC(=O)Nc2cccc(Cl)c2Cl)([NH+]2CCCCC2)CC1 ZINC000174364689 822778508 /nfs/dbraw/zinc/77/85/08/822778508.db2.gz KFECUTDFUJUPHT-UHFFFAOYSA-N 1 0 399.366 4.065 20 0 GIADRO C[NH+](C)CCn1ccc2ccc(NC(=O)[C@@H]3SCCc4sccc43)cc21 ZINC000174368300 822779067 /nfs/dbraw/zinc/77/90/67/822779067.db2.gz NTMLANJPQRVXEG-LJQANCHMSA-N 1 0 385.558 4.234 20 0 GIADRO Cc1ncsc1C[NH2+]CCSCCOc1cccc(Br)c1 ZINC000174380206 822781042 /nfs/dbraw/zinc/78/10/42/822781042.db2.gz QPAIUQWGXUSYKQ-UHFFFAOYSA-N 1 0 387.368 4.116 20 0 GIADRO COCOc1ccc(OC)cc1C[NH2+]C[C@@H](O)c1ccc(-c2ccccc2)cc1 ZINC000185415397 822781070 /nfs/dbraw/zinc/78/10/70/822781070.db2.gz DLAIVYADEOTIRE-HSZRJFAPSA-N 1 0 393.483 4.168 20 0 GIADRO CC(C)Oc1ccc2ccccc2c1CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000185437230 822783689 /nfs/dbraw/zinc/78/36/89/822783689.db2.gz FOQWHXOQKXECMG-MJGOQNOKSA-N 1 0 383.536 4.251 20 0 GIADRO CC(C)Oc1ccc2ccccc2c1CNC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000185439202 822784091 /nfs/dbraw/zinc/78/40/91/822784091.db2.gz RDPBIFJMGCEZFD-SFHVURJKSA-N 1 0 383.536 4.110 20 0 GIADRO C[NH+](C)Cc1ccccc1C(=O)N1CC[C@@H](c2cccc(Br)c2)C1 ZINC000456158628 822785187 /nfs/dbraw/zinc/78/51/87/822785187.db2.gz UCLWVCVZYCNIJU-MRXNPFEDSA-N 1 0 387.321 4.140 20 0 GIADRO Clc1cc(CC[NH2+]Cc2ccc(Oc3cnccn3)cc2)cc2c1OCCO2 ZINC000174403636 822785350 /nfs/dbraw/zinc/78/53/50/822785350.db2.gz XICWEETYJWMEQN-UHFFFAOYSA-N 1 0 397.862 4.026 20 0 GIADRO Cc1cc(C(=O)NC(C)(C)CCC[NH+](C)C)ccc1NC(=O)c1cccs1 ZINC000456163363 822785586 /nfs/dbraw/zinc/78/55/86/822785586.db2.gz GKOALUAUQVHRJX-UHFFFAOYSA-N 1 0 387.549 4.159 20 0 GIADRO Cc1ccc(C(=O)NC(C)(C)CCC[NH+](C)C)cc1NC(=O)Nc1ccccc1 ZINC000456172272 822786267 /nfs/dbraw/zinc/78/62/67/822786267.db2.gz OWTOACGYQSRDBE-UHFFFAOYSA-N 1 0 396.535 4.489 20 0 GIADRO CCOc1ccccc1[C@H](CC(C)C)NC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000174411445 822786585 /nfs/dbraw/zinc/78/65/85/822786585.db2.gz PWTLIYAWJDXQNL-HBFSDRIKSA-N 1 0 375.557 4.297 20 0 GIADRO CN(CCC[NH+](C)C)C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1 ZINC000185459823 822787003 /nfs/dbraw/zinc/78/70/03/822787003.db2.gz CPUMJEOTKJOHMD-UHFFFAOYSA-N 1 0 388.899 4.008 20 0 GIADRO Cc1c(NC(=O)C2CC[NH+](C(C)C)CC2)cccc1C(=O)Nc1ccccc1 ZINC000174414987 822787123 /nfs/dbraw/zinc/78/71/23/822787123.db2.gz LOPNRQYHPARSGW-UHFFFAOYSA-N 1 0 379.504 4.306 20 0 GIADRO C[C@@H](CCNC(=O)c1ccc(-n2cc[nH]c2=S)cc1)[N@H+](C)Cc1ccccc1 ZINC000174418703 822787409 /nfs/dbraw/zinc/78/74/09/822787409.db2.gz ZQDHKSCVYDFPDL-KRWDZBQOSA-N 1 0 394.544 4.175 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1ccccc1Oc1cccnc1)c1ccc(F)cc1 ZINC000052027031 822788315 /nfs/dbraw/zinc/78/83/15/822788315.db2.gz TZUPTYPUPPAYEC-FQEVSTJZSA-N 1 0 379.435 4.046 20 0 GIADRO Cc1nn(Cc2ccccc2Cl)c(Cl)c1C[NH2+]C[C@H]1CCC[C@@H](O)C1 ZINC000174428920 822788946 /nfs/dbraw/zinc/78/89/46/822788946.db2.gz BRBVEVNTOXAAQD-GOEBONIOSA-N 1 0 382.335 4.187 20 0 GIADRO Cn1c(=S)n(CN2CCC[N@@H+](C(C)(C)C)CC2)nc1-c1ccc(Cl)cc1 ZINC000052087318 822790197 /nfs/dbraw/zinc/79/01/97/822790197.db2.gz GUWXASXPQOYZFX-UHFFFAOYSA-N 1 0 393.988 4.035 20 0 GIADRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@@H]1COc2cc(C)c(C)cc21 ZINC000185495598 822790810 /nfs/dbraw/zinc/79/08/10/822790810.db2.gz YDXCUTMTIAQNAU-HXUWFJFHSA-N 1 0 396.556 4.275 20 0 GIADRO COc1c(F)cc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c(OC)c1F ZINC000456258192 822790821 /nfs/dbraw/zinc/79/08/21/822790821.db2.gz QUNPVNDOANFBLJ-UHFFFAOYSA-N 1 0 390.430 4.220 20 0 GIADRO COc1ccc(SC)c(OC)c1C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000456260136 822791174 /nfs/dbraw/zinc/79/11/74/822791174.db2.gz FEZVPPNHFCTADX-MRXNPFEDSA-N 1 0 386.517 4.227 20 0 GIADRO O=C(NCc1ccc(C(F)F)cc1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000185501480 822791239 /nfs/dbraw/zinc/79/12/39/822791239.db2.gz PZPSNMLWXDRYFL-MRXNPFEDSA-N 1 0 379.476 4.322 20 0 GIADRO COc1ccc(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)cc1Br ZINC000456266092 822791855 /nfs/dbraw/zinc/79/18/55/822791855.db2.gz HUAKEBIWDWSRDQ-KRWDZBQOSA-N 1 0 389.293 4.259 20 0 GIADRO CC(=O)CCc1ccc(OCCC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)cc1 ZINC000456268225 822791935 /nfs/dbraw/zinc/79/19/35/822791935.db2.gz IYNZXHZAZBKEML-HSZRJFAPSA-N 1 0 394.515 4.165 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)c2cccc(OC)c2OC(F)F)cc1 ZINC000052169299 822792272 /nfs/dbraw/zinc/79/22/72/822792272.db2.gz QUEXYVKZMQQPFX-UHFFFAOYSA-N 1 0 392.446 4.068 20 0 GIADRO CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000456272422 822792312 /nfs/dbraw/zinc/79/23/12/822792312.db2.gz YRXAENVQFKSKQN-USCONSEESA-N 1 0 393.531 4.019 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)c3cc(Br)ccc3F)ccc21 ZINC000456272872 822792382 /nfs/dbraw/zinc/79/23/82/822792382.db2.gz LQMLADULOKJVSM-QGZVFWFLSA-N 1 0 377.257 4.389 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)NC2(Cc3ccccc3)CC2)[C@@H]1c1cccs1 ZINC000185518674 822792833 /nfs/dbraw/zinc/79/28/33/822792833.db2.gz MJOGGQJWAPXTRZ-UYAOXDASSA-N 1 0 383.561 4.206 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)COc3ccccc3Br)ccc21 ZINC000456279266 822793401 /nfs/dbraw/zinc/79/34/01/822793401.db2.gz PQZGZWUTXHBIBW-KRWDZBQOSA-N 1 0 389.293 4.016 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)CN[C@H](c3ccccc3)C(F)(F)F)ccc21 ZINC000456282027 822793747 /nfs/dbraw/zinc/79/37/47/822793747.db2.gz RYKDMMJWLVGUOF-AZUAARDMSA-N 1 0 391.437 4.067 20 0 GIADRO CSc1nc(C2CC2)nc(C)c1C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000456289678 822794705 /nfs/dbraw/zinc/79/47/05/822794705.db2.gz XSKRQJGLSFUFDP-QGZVFWFLSA-N 1 0 382.533 4.186 20 0 GIADRO C[NH+]1CCC(C(=O)NCc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)CC1 ZINC000174480193 822795288 /nfs/dbraw/zinc/79/52/88/822795288.db2.gz JKJUSHFDJDLAQV-UHFFFAOYSA-N 1 0 392.421 4.456 20 0 GIADRO COC(=O)c1ccc(-c2nc(C[NH2+][C@H](C)[C@@H]3COc4ccccc43)cs2)cc1 ZINC000185552673 822795867 /nfs/dbraw/zinc/79/58/67/822795867.db2.gz QHMIAHFJBMMCSW-KUHUBIRLSA-N 1 0 394.496 4.251 20 0 GIADRO CCN(Cc1cncc(Br)c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174486372 822795939 /nfs/dbraw/zinc/79/59/39/822795939.db2.gz NKQUDFCLRCPQNK-SFHVURJKSA-N 1 0 388.353 4.188 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc3ccccc3n2Cc2ccccc2F)C1 ZINC000174489911 822796210 /nfs/dbraw/zinc/79/62/10/822796210.db2.gz SWTWWSPMCMVNIT-SFHVURJKSA-N 1 0 393.506 4.243 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(-c3nc4ccccc4s3)s2)C1 ZINC000174494255 822796546 /nfs/dbraw/zinc/79/65/46/822796546.db2.gz QMQGHMQVCHQQDJ-AWEZNQCLSA-N 1 0 385.558 4.439 20 0 GIADRO CCOc1ccc([C@@H](C)NC(=O)C[N@@H+]2CCC[C@@H]2c2ccccc2)cc1OC ZINC000052432005 822799419 /nfs/dbraw/zinc/79/94/19/822799419.db2.gz FYAUAWSQFZLBKF-YLJYHZDGSA-N 1 0 382.504 4.108 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1cccc(Oc2ccccn2)c1)c1cccc(F)c1 ZINC000174517668 822799905 /nfs/dbraw/zinc/79/99/05/822799905.db2.gz RURZNJCSGQVFDM-HXUWFJFHSA-N 1 0 394.450 4.437 20 0 GIADRO COc1ccc(-c2ocnc2C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)cc1 ZINC000456344131 822800552 /nfs/dbraw/zinc/80/05/52/822800552.db2.gz ZXVGOXHSJZSXIS-LJQANCHMSA-N 1 0 377.444 4.151 20 0 GIADRO COc1ccc(N2CCC[N@H+](Cc3cc(-c4ccc(F)cc4)no3)CC2)cc1 ZINC000052466894 822800862 /nfs/dbraw/zinc/80/08/62/822800862.db2.gz IMCNOPVJNARZMJ-UHFFFAOYSA-N 1 0 381.451 4.202 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)NC[C@](C)(O)c1ccco1)C1CCCCC1 ZINC000174526411 822801195 /nfs/dbraw/zinc/80/11/95/822801195.db2.gz KIWWVKODGNUGEG-QFIPXVFZSA-N 1 0 385.508 4.073 20 0 GIADRO C[C@@](O)(C[NH2+]Cc1csc(-c2cccc(Br)c2)n1)c1ccco1 ZINC000174529888 822801853 /nfs/dbraw/zinc/80/18/53/822801853.db2.gz OVXQACHNESHXQX-QGZVFWFLSA-N 1 0 393.306 4.163 20 0 GIADRO CN(Cc1ccoc1)C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000052522522 822802557 /nfs/dbraw/zinc/80/25/57/822802557.db2.gz GJDQJKWJUPRYDE-UHFFFAOYSA-N 1 0 377.488 4.350 20 0 GIADRO COc1cc(C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3)cc2)ccc1O ZINC000174537517 822802821 /nfs/dbraw/zinc/80/28/21/822802821.db2.gz CPYCEAVIRVWUML-UHFFFAOYSA-N 1 0 376.456 4.285 20 0 GIADRO CCc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)cc1 ZINC000185618981 822802996 /nfs/dbraw/zinc/80/29/96/822802996.db2.gz MWYCYNVTGNRMIN-GXTWGEPZSA-N 1 0 396.457 4.302 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1ccccc1C ZINC000185619657 822803161 /nfs/dbraw/zinc/80/31/61/822803161.db2.gz CJEJZAILYZQKBF-TZMCWYRMSA-N 1 0 382.430 4.048 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1)[C@@H]1COc2ccccc21 ZINC000185625157 822803733 /nfs/dbraw/zinc/80/37/33/822803733.db2.gz JRDXKLFEWWBGHU-CJNGLKHVSA-N 1 0 393.314 4.106 20 0 GIADRO O=C(c1ccccc1COc1ccccc1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000174548961 822803806 /nfs/dbraw/zinc/80/38/06/822803806.db2.gz BGIOAYKRVPNGKK-FQEVSTJZSA-N 1 0 378.516 4.214 20 0 GIADRO CC(C)(C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)c1ccc(Br)cc1 ZINC000174554458 822804441 /nfs/dbraw/zinc/80/44/41/822804441.db2.gz SYPRYRVBUISNEZ-MRXNPFEDSA-N 1 0 393.369 4.061 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)c2ccc(Br)cc2Cl)c1 ZINC000052611370 822805129 /nfs/dbraw/zinc/80/51/29/822805129.db2.gz UKCDQVWAFIPQMQ-UHFFFAOYSA-N 1 0 381.701 4.094 20 0 GIADRO O=C(c1ccc(C2SCCS2)cc1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000174565651 822805730 /nfs/dbraw/zinc/80/57/30/822805730.db2.gz VANPDHQHJROVQT-INIZCTEOSA-N 1 0 376.591 4.113 20 0 GIADRO CCOc1ccc(NC(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)cc1 ZINC000052635105 822805882 /nfs/dbraw/zinc/80/58/82/822805882.db2.gz WJCKPHHSUFQXAL-OAQYLSRUSA-N 1 0 383.492 4.053 20 0 GIADRO C[NH+]1CCC(C(=O)Nc2ccc(Oc3ccc(F)cc3)c3ccncc23)CC1 ZINC000174569752 822806200 /nfs/dbraw/zinc/80/62/00/822806200.db2.gz MPWOJGOQQXISNY-UHFFFAOYSA-N 1 0 379.435 4.447 20 0 GIADRO COc1ccccc1C[C@@H](C)N(C)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000174576682 822807190 /nfs/dbraw/zinc/80/71/90/822807190.db2.gz WOEJGEZUFSWAAT-LJQANCHMSA-N 1 0 395.547 4.064 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NC[C@@H](C)Sc1ccccc1 ZINC000174598651 822810227 /nfs/dbraw/zinc/81/02/27/822810227.db2.gz GZAWSVNWHMGBGI-GOSISDBHSA-N 1 0 398.576 4.049 20 0 GIADRO COc1ccc(C[NH2+]C[C@@H](C)Oc2ccccc2F)cc1OCc1cccnc1 ZINC000174602122 822810732 /nfs/dbraw/zinc/81/07/32/822810732.db2.gz KBQKAXGWSXTTQL-QGZVFWFLSA-N 1 0 396.462 4.365 20 0 GIADRO CCOc1c(Cl)cc(C[NH2+]C2CCC(O)(c3cccnc3)CC2)cc1OC ZINC000185694872 822810927 /nfs/dbraw/zinc/81/09/27/822810927.db2.gz HCCCHEPNNNCIHI-UHFFFAOYSA-N 1 0 390.911 4.062 20 0 GIADRO C[C@@H](N[C@@H](C)C(=O)Nc1ccc2ccccc2c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185697941 822811213 /nfs/dbraw/zinc/81/12/13/822811213.db2.gz HTPHQLYVOGISER-LQWHRVPQSA-N 1 0 379.548 4.409 20 0 GIADRO OC1(c2cccnc2)CCC([NH2+]Cc2cc(Br)ccc2Cl)CC1 ZINC000185698317 822811259 /nfs/dbraw/zinc/81/12/59/822811259.db2.gz PUEBRBTZQKPOPF-UHFFFAOYSA-N 1 0 395.728 4.418 20 0 GIADRO COC(=O)COc1ccc([C@@H](C)[NH2+]Cc2ccc(Cl)c3cccnc23)cc1 ZINC000185699903 822811495 /nfs/dbraw/zinc/81/14/95/822811495.db2.gz LKEJFQLTUAJSBT-CQSZACIVSA-N 1 0 384.863 4.291 20 0 GIADRO Cc1ccc(C[NH2+]C2CCC(O)(c3cccnc3)CC2)cc1Br ZINC000185704708 822812093 /nfs/dbraw/zinc/81/20/93/822812093.db2.gz XAPIXMHLVQYBQN-UHFFFAOYSA-N 1 0 375.310 4.073 20 0 GIADRO O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000052829887 822812399 /nfs/dbraw/zinc/81/23/99/822812399.db2.gz YHCFMFSFWANAIZ-HNNXBMFYSA-N 1 0 398.869 4.273 20 0 GIADRO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CN[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185711753 822812913 /nfs/dbraw/zinc/81/29/13/822812913.db2.gz FNBLVYYLOIQXLA-YQVWRLOYSA-N 1 0 391.987 4.102 20 0 GIADRO COc1ccc(-c2noc([C@@H](C)N[C@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)n2)cc1 ZINC000185712127 822813119 /nfs/dbraw/zinc/81/31/19/822813119.db2.gz INCGIPKKGXATEE-JFIYKMOQSA-N 1 0 384.524 4.049 20 0 GIADRO Cc1cc(C[NH2+]CC2(CCOCc3ccccc3)CC2)ccc1-n1cncn1 ZINC000185715187 822813593 /nfs/dbraw/zinc/81/35/93/822813593.db2.gz CETIZIRJKKMNDM-UHFFFAOYSA-N 1 0 376.504 4.052 20 0 GIADRO CCc1cnc(CC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)s1 ZINC000174624131 822813915 /nfs/dbraw/zinc/81/39/15/822813915.db2.gz AWOPFGHUOWHKAN-UHFFFAOYSA-N 1 0 389.528 4.286 20 0 GIADRO C[C@H]([NH2+][C@H]1CCN(c2ncccc2Cl)C1)c1ccc(Br)cc1O ZINC000185719202 822814134 /nfs/dbraw/zinc/81/41/34/822814134.db2.gz RPHQQIHCXBMKIW-AAEUAGOBSA-N 1 0 396.716 4.133 20 0 GIADRO CCOc1ccc(C[N@H+](C)CCCc2nc(-c3cccs3)no2)cc1OC ZINC000052892047 822814570 /nfs/dbraw/zinc/81/45/70/822814570.db2.gz QNOIUDJUXPWYGQ-UHFFFAOYSA-N 1 0 387.505 4.270 20 0 GIADRO CC[N@H+](Cc1cccc(Cl)c1)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000052906649 822814770 /nfs/dbraw/zinc/81/47/70/822814770.db2.gz AKMMQLGSSNJBDP-SFHVURJKSA-N 1 0 390.874 4.399 20 0 GIADRO C[N@H+](Cc1cc(Br)cs1)C1CCN(CCc2ccccn2)CC1 ZINC000174655336 822818536 /nfs/dbraw/zinc/81/85/36/822818536.db2.gz JTCICQDVRZSKLJ-UHFFFAOYSA-N 1 0 394.382 4.045 20 0 GIADRO O=C(NCC1(CCOCc2ccccc2)CC1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000185766016 822819105 /nfs/dbraw/zinc/81/91/05/822819105.db2.gz INJADYVFUNPSPF-UHFFFAOYSA-N 1 0 399.579 4.033 20 0 GIADRO Cc1cc(C)cc(OCc2noc(CN[C@@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)n2)c1 ZINC000185767839 822819362 /nfs/dbraw/zinc/81/93/62/822819362.db2.gz YVNWCZCNDOAZSN-RBUKOAKNSA-N 1 0 398.551 4.008 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@H+](C)CCCCc1ccccc1 ZINC000053079980 822820547 /nfs/dbraw/zinc/82/05/47/822820547.db2.gz TYEXBLOTWSYKMZ-UHFFFAOYSA-N 1 0 390.531 4.382 20 0 GIADRO CCCCn1cc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c(C)n1 ZINC000185804818 822822786 /nfs/dbraw/zinc/82/27/86/822822786.db2.gz UXHWSGCSRLNHQV-NQIIRXRSSA-N 1 0 382.552 4.117 20 0 GIADRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000185815977 822823807 /nfs/dbraw/zinc/82/38/07/822823807.db2.gz XFNXPGYQRPYWNW-RTWAWAEBSA-N 1 0 387.568 4.251 20 0 GIADRO C[NH+](C)CCN(C(=O)CCc1ncc(-c2ccccc2Cl)o1)C1CCCC1 ZINC000053152789 822823850 /nfs/dbraw/zinc/82/38/50/822823850.db2.gz VWYKXRYDXANNBP-UHFFFAOYSA-N 1 0 389.927 4.260 20 0 GIADRO COc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc(Cl)c1OCCC(C)C ZINC000174693583 822824234 /nfs/dbraw/zinc/82/42/34/822824234.db2.gz NBGZKQCFBTZPMW-SJORKVTESA-N 1 0 394.943 4.082 20 0 GIADRO CC[C@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000185820314 822824292 /nfs/dbraw/zinc/82/42/92/822824292.db2.gz ZMYMBHGBHHMWHL-IBGZPJMESA-N 1 0 378.925 4.121 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000053175480 822824627 /nfs/dbraw/zinc/82/46/27/822824627.db2.gz KAAVHROSYPCLFQ-OXQOHEQNSA-N 1 0 381.520 4.035 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)c1csc(-c2cccc(Cl)c2)n1 ZINC000456703012 822824684 /nfs/dbraw/zinc/82/46/84/822824684.db2.gz QTIUGAFRPUKECV-UHFFFAOYSA-N 1 0 375.925 4.210 20 0 GIADRO C[C@H]([NH2+]Cc1cc(=O)n2ccsc2n1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000185829412 822825152 /nfs/dbraw/zinc/82/51/52/822825152.db2.gz HEXZEFHYUFGVEW-NEPJUHHUSA-N 1 0 381.423 4.057 20 0 GIADRO Cc1c2cc(C)ccc2[nH]c1C(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1 ZINC000185849061 822827060 /nfs/dbraw/zinc/82/70/60/822827060.db2.gz HFPMCXIGHQSYSW-UHFFFAOYSA-N 1 0 392.503 4.236 20 0 GIADRO CCn1cc([C@H](C)NC(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)cn1 ZINC000456736992 822828123 /nfs/dbraw/zinc/82/81/23/822828123.db2.gz YFKVUHXTYJFIBZ-SFHVURJKSA-N 1 0 376.504 4.026 20 0 GIADRO Cc1cc(C(=O)NC2CC[NH+](C3CCC3)CC2)cc(Cl)c1Br ZINC000456738502 822828203 /nfs/dbraw/zinc/82/82/03/822828203.db2.gz SMBAJKIVQWVDNB-UHFFFAOYSA-N 1 0 385.733 4.158 20 0 GIADRO Cc1cc(C(C)(C)C(=O)NC2CC[NH+](C3CCC3)CC2)ccc1Br ZINC000456740198 822828515 /nfs/dbraw/zinc/82/85/15/822828515.db2.gz UYPYKWGVRAHZOT-UHFFFAOYSA-N 1 0 393.369 4.168 20 0 GIADRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2cccc(NC(=O)c3ccco3)c2)C1 ZINC000053304921 822829689 /nfs/dbraw/zinc/82/96/89/822829689.db2.gz BJIXIPFRRAWRJF-IRXDYDNUSA-N 1 0 397.519 4.018 20 0 GIADRO CC(=O)c1csc(C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)c1 ZINC000456789107 822831081 /nfs/dbraw/zinc/83/10/81/822831081.db2.gz JAAMKAZIPXYARS-UHFFFAOYSA-N 1 0 392.908 4.329 20 0 GIADRO Cc1ccc(CC(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)s1 ZINC000456789073 822831103 /nfs/dbraw/zinc/83/11/03/822831103.db2.gz ISTBTDIVMVLXIA-UHFFFAOYSA-N 1 0 378.925 4.364 20 0 GIADRO C[N@H+](CCNC(=O)c1ccc(C2SCCCS2)cc1)Cc1ccccc1 ZINC000053349308 822831176 /nfs/dbraw/zinc/83/11/76/822831176.db2.gz GMLHEWLJSLEMTK-UHFFFAOYSA-N 1 0 386.586 4.417 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)C2=Cc3ccccc3OC2)CC1 ZINC000456792412 822831582 /nfs/dbraw/zinc/83/15/82/822831582.db2.gz OSHMHCWKVAPPHK-UHFFFAOYSA-N 1 0 398.890 4.228 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)Cc2ccc(F)c(F)c2)CC1 ZINC000456796152 822831982 /nfs/dbraw/zinc/83/19/82/822831982.db2.gz VAOOEVQRAMCMLP-UHFFFAOYSA-N 1 0 394.849 4.272 20 0 GIADRO CC[C@@H](NC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1nc(C)cs1 ZINC000174762307 822833905 /nfs/dbraw/zinc/83/39/05/822833905.db2.gz HHGPPARWURPJKR-RTBURBONSA-N 1 0 386.565 4.066 20 0 GIADRO O=C(Nc1cccc(-c2cc[nH]n2)c1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000185924964 822834296 /nfs/dbraw/zinc/83/42/96/822834296.db2.gz GALWLCCPMLTHEY-OAQYLSRUSA-N 1 0 375.476 4.035 20 0 GIADRO Cc1ccc(NC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)cc1C(F)(F)F ZINC000174766929 822834375 /nfs/dbraw/zinc/83/43/75/822834375.db2.gz SCVUCSCLIABZGJ-UHFFFAOYSA-N 1 0 399.457 4.123 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)Cc2ncc(-c3cccc(Br)c3)o2)[C@H](C)C1 ZINC000174772058 822835098 /nfs/dbraw/zinc/83/50/98/822835098.db2.gz BYRAJAPDOUCUGA-RHSMWYFYSA-N 1 0 392.341 4.266 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)[C@H](C)C1 ZINC000174773715 822835367 /nfs/dbraw/zinc/83/53/67/822835367.db2.gz JSLBRMYGFFBKTI-IAQYHMDHSA-N 1 0 392.758 4.247 20 0 GIADRO Cc1ccc([C@H](O)C[NH+]2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)cc1 ZINC000174789156 822837107 /nfs/dbraw/zinc/83/71/07/822837107.db2.gz TUZOIIHMRQUMIV-HXUWFJFHSA-N 1 0 390.886 4.172 20 0 GIADRO CC(C)Oc1ccc(CNC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000174796473 822838106 /nfs/dbraw/zinc/83/81/06/822838106.db2.gz OWDVLQSBUBUYLL-QFIPXVFZSA-N 1 0 395.547 4.137 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=S)Nc3ccc4c(c3)CCC4)c(C)c2)CC1 ZINC000053516145 822838289 /nfs/dbraw/zinc/83/82/89/822838289.db2.gz SDLTZCIOSSFTAW-UHFFFAOYSA-N 1 0 394.588 4.435 20 0 GIADRO CN(Cc1nc2ccccc2s1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000053523768 822838755 /nfs/dbraw/zinc/83/87/55/822838755.db2.gz MKLWLSNBQAEEGI-KRWDZBQOSA-N 1 0 398.532 4.258 20 0 GIADRO CN(Cc1ccccc1Cl)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000053523578 822838832 /nfs/dbraw/zinc/83/88/32/822838832.db2.gz GNSBIURBWSSNTM-SFHVURJKSA-N 1 0 375.900 4.302 20 0 GIADRO CC(C)CN(C(=S)Nc1cccc(Br)c1)C1CC[NH+](C)CC1 ZINC000053525445 822838878 /nfs/dbraw/zinc/83/88/78/822838878.db2.gz SKISTMFRGIMZMI-UHFFFAOYSA-N 1 0 384.387 4.198 20 0 GIADRO O=C(N[C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000456871629 822839348 /nfs/dbraw/zinc/83/93/48/822839348.db2.gz OESDTVAZWCGFRW-FBBABVLZSA-N 1 0 390.955 4.126 20 0 GIADRO CC(C)c1noc(-c2ccc(NC(=O)N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C(C)C)cc2)n1 ZINC000174803880 822839482 /nfs/dbraw/zinc/83/94/82/822839482.db2.gz JOHJPHYVHWHCRM-MOPGFXCFSA-N 1 0 397.523 4.339 20 0 GIADRO Cc1nc2ccc(NC(=O)NC[C@H]3CCC[N@@H+](C)[C@@H]3c3cccs3)cc2o1 ZINC000174810905 822840644 /nfs/dbraw/zinc/84/06/44/822840644.db2.gz OHIMENBNKXEZBH-KUHUBIRLSA-N 1 0 384.505 4.402 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)CSc2ccc(F)c(F)c2)CC1 ZINC000053594715 822841945 /nfs/dbraw/zinc/84/19/45/822841945.db2.gz XSOGWOMFKWNERX-UHFFFAOYSA-N 1 0 390.499 4.146 20 0 GIADRO Cc1c(C(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)cnn1-c1ccccn1 ZINC000053619199 822842992 /nfs/dbraw/zinc/84/29/92/822842992.db2.gz WXIRURYGUKRTGW-UHFFFAOYSA-N 1 0 389.503 4.060 20 0 GIADRO CC(C)c1ccccc1NC(=O)C[N@H+](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000174830064 822843062 /nfs/dbraw/zinc/84/30/62/822843062.db2.gz ZOMWESQLXNVNAN-UHFFFAOYSA-N 1 0 389.540 4.080 20 0 GIADRO CCOc1cccc2cc([C@H](C)NC(=O)NC3C[C@H]4CCC[C@@H](C3)[N@H+]4C)oc21 ZINC000174830398 822843233 /nfs/dbraw/zinc/84/32/33/822843233.db2.gz GWWXQKJXASAFIV-MIGBEJBISA-N 1 0 385.508 4.207 20 0 GIADRO CC(C)(C)[C@H]([NH2+]CC(=O)Nc1ccccc1C(=O)NC1CC1)c1ccc(F)cc1 ZINC000053644254 822843614 /nfs/dbraw/zinc/84/36/14/822843614.db2.gz CSSRYARSGOJAHG-OAQYLSRUSA-N 1 0 397.494 4.033 20 0 GIADRO CCC[N@H+](Cc1ccc(S(=O)(=O)N(C)C)o1)[C@@H](C)c1cc2ccccc2o1 ZINC000053643362 822843674 /nfs/dbraw/zinc/84/36/74/822843674.db2.gz TYGFHMPRPPWKRN-HNNXBMFYSA-N 1 0 390.505 4.249 20 0 GIADRO COc1ccccc1Oc1ccc(CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000174834644 822843665 /nfs/dbraw/zinc/84/36/65/822843665.db2.gz STSGJQSXNZRXTC-HKUYNNGSSA-N 1 0 397.519 4.112 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CCc2nc(C(C)(C)C)no2)cc1 ZINC000053721896 822846243 /nfs/dbraw/zinc/84/62/43/822846243.db2.gz XHWHTAWFYPDERL-INIZCTEOSA-N 1 0 384.524 4.313 20 0 GIADRO Cc1[nH]c2ccccc2c1C1CC[NH+]([C@@H](C)C(=O)Nc2ccnn2C(C)C)CC1 ZINC000053742988 822846762 /nfs/dbraw/zinc/84/67/62/822846762.db2.gz ZTFBQDMWKKSWIC-KRWDZBQOSA-N 1 0 393.535 4.460 20 0 GIADRO Cc1cc2c(cc1C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)CO2 ZINC000186050056 822847118 /nfs/dbraw/zinc/84/71/18/822847118.db2.gz NOJSSOPCYQIYLY-CDXJDZJCSA-N 1 0 384.545 4.040 20 0 GIADRO COc1ccc([C@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)c2ccco2)cc1 ZINC000457050543 822848167 /nfs/dbraw/zinc/84/81/67/822848167.db2.gz MODXTCMFIYQBBC-QHCPKHFHSA-N 1 0 390.483 4.403 20 0 GIADRO CN(C(=O)c1ccc(F)c2ccccc12)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457061901 822848973 /nfs/dbraw/zinc/84/89/73/822848973.db2.gz CKUNMHCZJCSMHS-UHFFFAOYSA-N 1 0 382.401 4.468 20 0 GIADRO CN(C(=O)[C@H]1C[C@@]12CCCc1ccccc12)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457063102 822849089 /nfs/dbraw/zinc/84/90/89/822849089.db2.gz AYMNVBFBAKONPN-TZIWHRDSSA-N 1 0 394.481 4.156 20 0 GIADRO Cc1cc(N2CCC(NC(=O)C(C)(C)CCCc3ccccc3)CC2)nc(C)n1 ZINC000174881367 822850221 /nfs/dbraw/zinc/85/02/21/822850221.db2.gz GXRHOSQSFZLKLN-UHFFFAOYSA-N 1 0 394.563 4.228 20 0 GIADRO CN(C(=O)COc1ccc2ccccc2c1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457077865 822850638 /nfs/dbraw/zinc/85/06/38/822850638.db2.gz DABGRFFMKAPOIN-UHFFFAOYSA-N 1 0 394.437 4.094 20 0 GIADRO Cc1nc(CC(C)C)c(C(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)s1 ZINC000457080628 822850958 /nfs/dbraw/zinc/85/09/58/822850958.db2.gz GNCSYUKTJWKSTQ-UHFFFAOYSA-N 1 0 391.503 4.139 20 0 GIADRO CN(C(=O)C1(c2cccc(F)c2)CCC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457081868 822851158 /nfs/dbraw/zinc/85/11/58/822851158.db2.gz HUXKSJWTUOABBA-UHFFFAOYSA-N 1 0 386.433 4.123 20 0 GIADRO C[C@@H](Cc1cccc(Cl)c1)C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457086761 822851791 /nfs/dbraw/zinc/85/17/91/822851791.db2.gz OOZITIQLTWZNBG-AWEZNQCLSA-N 1 0 390.877 4.394 20 0 GIADRO CN(C(=O)C[C@H]1CCc2ccccc2C1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457086768 822851801 /nfs/dbraw/zinc/85/18/01/822851801.db2.gz ORLVFLALJMBVDS-INIZCTEOSA-N 1 0 382.470 4.057 20 0 GIADRO CCCOc1c(Cl)cc(C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)cc1OCC ZINC000457088326 822852042 /nfs/dbraw/zinc/85/20/42/822852042.db2.gz RICKQXRDBLUAPS-INIZCTEOSA-N 1 0 382.932 4.082 20 0 GIADRO CC(C)COc1cccc(C(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000457092240 822852496 /nfs/dbraw/zinc/85/24/96/822852496.db2.gz WRZUKKXNBDUXMC-UHFFFAOYSA-N 1 0 386.458 4.210 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)c1cn(-c2ccccc2)nn1 ZINC000186112616 822852617 /nfs/dbraw/zinc/85/26/17/822852617.db2.gz UARBPJAUIHCJEH-STQMWFEESA-N 1 0 387.281 4.147 20 0 GIADRO Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N(C)[C@@H]3CC[N@@H+](C(C)C)C3)c12 ZINC000457111500 822854232 /nfs/dbraw/zinc/85/42/32/822854232.db2.gz ILHJRXNBGRUMQY-QGZVFWFLSA-N 1 0 399.583 4.173 20 0 GIADRO O=C(c1ccc(C[N@@H+](CCCO)[C@@H]2CCCc3ccccc32)cc1)N1CCCC1 ZINC000174908627 822854206 /nfs/dbraw/zinc/85/42/06/822854206.db2.gz ARUDBSIDPGETNJ-XMMPIXPASA-N 1 0 392.543 4.185 20 0 GIADRO O=C(c1ccc(C[N@@H+](CCCO)[C@H]2CCCc3ccccc32)cc1)N1CCCC1 ZINC000174908611 822854276 /nfs/dbraw/zinc/85/42/76/822854276.db2.gz ARUDBSIDPGETNJ-DEOSSOPVSA-N 1 0 392.543 4.185 20 0 GIADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C3CC3)nc3onc(CC(C)(C)C)c32)C1 ZINC000457113160 822854458 /nfs/dbraw/zinc/85/44/58/822854458.db2.gz JSBSYFNWBMBKCN-MRXNPFEDSA-N 1 0 398.551 4.244 20 0 GIADRO CCC(CC)c1cc(CNC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)on1 ZINC000174912694 822854773 /nfs/dbraw/zinc/85/47/73/822854773.db2.gz FWJRYTQWYYLLIG-NRFANRHFSA-N 1 0 384.524 4.215 20 0 GIADRO Cc1nc(CSc2ccccc2C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)cs1 ZINC000457122465 822855387 /nfs/dbraw/zinc/85/53/87/822855387.db2.gz OQXKCTJZXCEZQU-QGZVFWFLSA-N 1 0 389.590 4.299 20 0 GIADRO CC(C)c1noc2nc(-c3ccco3)cc(C(=O)N(C)[C@@H]3CC[N@@H+](C(C)C)C3)c21 ZINC000457122552 822855403 /nfs/dbraw/zinc/85/54/03/822855403.db2.gz OUCFXWQCPXHEDJ-OAHLLOKOSA-N 1 0 396.491 4.161 20 0 GIADRO CC(C)n1c2ccc(C(=O)N(C)[C@H]3CC[N@@H+](C(C)C)C3)cc2nc1C(F)(F)F ZINC000457128116 822856052 /nfs/dbraw/zinc/85/60/52/822856052.db2.gz SAXOFSABIDLNBS-HNNXBMFYSA-N 1 0 396.457 4.191 20 0 GIADRO Cc1ccc(-c2nc(C(=O)N(C)C[C@@H]3CC[N@H+](Cc4ccccc4)C3)cs2)o1 ZINC000174919340 822856080 /nfs/dbraw/zinc/85/60/80/822856080.db2.gz AWFRTUXKEXSSEY-SFHVURJKSA-N 1 0 395.528 4.306 20 0 GIADRO C[NH+](C)CCOc1ccc(CNC(=O)c2sccc2-c2ccccc2)cc1 ZINC000053991951 822856086 /nfs/dbraw/zinc/85/60/86/822856086.db2.gz BDLDCJCUNUOQOS-UHFFFAOYSA-N 1 0 380.513 4.286 20 0 GIADRO COc1cccc(F)c1NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000186153500 822856167 /nfs/dbraw/zinc/85/61/67/822856167.db2.gz HMEYQYTUATVMBN-WMZOPIPTSA-N 1 0 385.483 4.351 20 0 GIADRO CN(C)[C@H](CNC(=O)c1oc2ccccc2c1C[NH+](C)C)c1ccccc1Cl ZINC000174931958 822857587 /nfs/dbraw/zinc/85/75/87/822857587.db2.gz UKLGSMCMJVSBLF-LJQANCHMSA-N 1 0 399.922 4.181 20 0 GIADRO CCc1onc(-c2ccccc2Cl)c1C(=O)NCCCC[N@H+](C)C1CC1 ZINC000457169803 822858557 /nfs/dbraw/zinc/85/85/57/822858557.db2.gz PHNVWQNTVDMHGV-UHFFFAOYSA-N 1 0 375.900 4.162 20 0 GIADRO C[N@H+](CCCCNC(=O)c1sc2ccccc2c1Br)C1CC1 ZINC000457170474 822858709 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Cc1ccnc(C(=O)N2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000457195242 822860089 /nfs/dbraw/zinc/86/00/89/822860089.db2.gz NWAHBQHQXYCMFD-QFIPXVFZSA-N 1 0 392.547 4.082 20 0 GIADRO O=C([C@@H]1C[C@@]12CCOC2)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457197193 822860177 /nfs/dbraw/zinc/86/01/77/822860177.db2.gz TVONYQQAYLFLMH-SONWIMMPSA-N 1 0 396.575 4.096 20 0 GIADRO O=C(C[C@H]1CCOC1)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457197830 822860309 /nfs/dbraw/zinc/86/03/09/822860309.db2.gz WPSMNHSGKUDOQB-FYYLOGMGSA-N 1 0 384.564 4.096 20 0 GIADRO C[C@@H]1C[C@H](C(=O)N2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)CO1 ZINC000457197211 822860338 /nfs/dbraw/zinc/86/03/38/822860338.db2.gz UHEXWJNEVAGAEN-OIBXWCBGSA-N 1 0 384.564 4.095 20 0 GIADRO COc1cc(C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1OC(C)C ZINC000174952780 822860375 /nfs/dbraw/zinc/86/03/75/822860375.db2.gz XLJRQVAOVFFUEX-HXUWFJFHSA-N 1 0 396.531 4.077 20 0 GIADRO CN(Cc1nnc(-c2ccccc2Cl)o1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000174955935 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386.517 4.151 20 0 GIADRO COc1cc(NC(=O)NCc2ccccc2C[NH+]2CCCC2)ccc1OC(C)C ZINC000186239133 822863737 /nfs/dbraw/zinc/86/37/37/822863737.db2.gz PLIDOTQRWCFGIW-UHFFFAOYSA-N 1 0 397.519 4.400 20 0 GIADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@H]2CCc3ccc(F)cc32)cc1 ZINC000174981047 822863921 /nfs/dbraw/zinc/86/39/21/822863921.db2.gz QNAIPWBWCUJLOH-BTYIYWSLSA-N 1 0 390.524 4.194 20 0 GIADRO C[NH+]1CCC(NC(=O)c2ccccc2Oc2cccc(Br)c2)CC1 ZINC000054148140 822864184 /nfs/dbraw/zinc/86/41/84/822864184.db2.gz YAVBKARULDLIOV-UHFFFAOYSA-N 1 0 389.293 4.065 20 0 GIADRO Cc1ccc(NC(=O)c2cccc(Cl)c2Cl)cc1NC(=O)CC[NH+](C)C ZINC000186245903 822864502 /nfs/dbraw/zinc/86/45/02/822864502.db2.gz CQUGUPXASJSFFJ-UHFFFAOYSA-N 1 0 394.302 4.444 20 0 GIADRO COc1cc(NC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)ccc1OC(C)C ZINC000186252249 822865274 /nfs/dbraw/zinc/86/52/74/822865274.db2.gz CIUJMLSIBRBWTB-KRWDZBQOSA-N 1 0 377.529 4.116 20 0 GIADRO Cc1ccc(C[C@@H](NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c2ccccn2)cc1 ZINC000174999584 822865630 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GIADRO [NH3+][C@@H]1CN(C(=O)CCc2cccc(C(F)(F)F)c2)CC[C@@H]1c1ccc(F)cc1 ZINC000457373298 822871061 /nfs/dbraw/zinc/87/10/61/822871061.db2.gz JUKXCSPXIQYIOM-RTBURBONSA-N 1 0 394.412 4.121 20 0 GIADRO CC[C@H](CC(=O)N1CC[C@H](c2ccc(OC)c(F)c2)[C@H]([NH3+])C1)c1ccccc1 ZINC000457374131 822871180 /nfs/dbraw/zinc/87/11/80/822871180.db2.gz KHTXAWWYXKAQNN-OZOXKJRCSA-N 1 0 384.495 4.061 20 0 GIADRO Cc1cc(Br)c(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000457377323 822871386 /nfs/dbraw/zinc/87/13/86/822871386.db2.gz CRKHAVHKDWHFAL-UHFFFAOYSA-N 1 0 393.350 4.213 20 0 GIADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2c[nH]c(=S)n2-c2ccccc2)C1 ZINC000054260309 822871486 /nfs/dbraw/zinc/87/14/86/822871486.db2.gz STVBBGPQHKZUMY-HZPDHXFCSA-N 1 0 386.565 4.021 20 0 GIADRO COc1ccc([C@H]2CCN(C(=O)c3occc3-c3ccccc3)C[C@H]2[NH3+])cc1F ZINC000457379129 822871533 /nfs/dbraw/zinc/87/15/33/822871533.db2.gz NQRNHPJYIKDYDO-YLJYHZDGSA-N 1 0 394.446 4.051 20 0 GIADRO Cc1nc(-c2ccccc2)sc1C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000457380093 822871643 /nfs/dbraw/zinc/87/16/43/822871643.db2.gz OKRVFFBVTYRYAR-OALUTQOASA-N 1 0 395.503 4.215 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc(SC)c2)c(C)c1OC ZINC000569034263 822871678 /nfs/dbraw/zinc/87/16/78/822871678.db2.gz KSLGBRUXVSAHLN-CABCVRRESA-N 1 0 388.533 4.412 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)c3cc(Cl)cc(F)c3N)C2)s1 ZINC000569036528 822871889 /nfs/dbraw/zinc/87/18/89/822871889.db2.gz HJQANGKIEDXAHM-ZDUSSCGKSA-N 1 0 395.931 4.025 20 0 GIADRO Cc1nc(-c2ccccc2)c(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)s1 ZINC000457386777 822872048 /nfs/dbraw/zinc/87/20/48/822872048.db2.gz TYXQQGQWUMOQFJ-OALUTQOASA-N 1 0 395.503 4.215 20 0 GIADRO COc1ccc(C[C@@](C)(O)C[NH2+][C@H](c2cc(F)ccc2F)C(C)C)cc1OC ZINC000569041062 822872479 /nfs/dbraw/zinc/87/24/79/822872479.db2.gz OKHCERSGKVOZAZ-FCHUYYIVSA-N 1 0 393.474 4.262 20 0 GIADRO COc1ccc(C[C@@](C)(O)C[NH2+][C@@H](c2cc(F)ccc2F)C(C)C)cc1OC ZINC000569041063 822872543 /nfs/dbraw/zinc/87/25/43/822872543.db2.gz OKHCERSGKVOZAZ-FGZHOGPDSA-N 1 0 393.474 4.262 20 0 GIADRO Cc1cc(Br)c(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)s1 ZINC000457415102 822873820 /nfs/dbraw/zinc/87/38/20/822873820.db2.gz JDXLDBQLNDGVFG-INIZCTEOSA-N 1 0 393.350 4.386 20 0 GIADRO Cc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)ccc1NC(=O)CC(C)C ZINC000175051513 822874013 /nfs/dbraw/zinc/87/40/13/822874013.db2.gz LSKRKHBPXGLEED-UXHICEINSA-N 1 0 385.552 4.067 20 0 GIADRO CN(C)C(=O)c1ccc(C[N@@H+](Cc2ccccc2C(F)(F)F)CC2CC2)[nH]1 ZINC000569052094 822874089 /nfs/dbraw/zinc/87/40/89/822874089.db2.gz FOAOWMHOLFUSCA-UHFFFAOYSA-N 1 0 379.426 4.148 20 0 GIADRO CCO[C@@H]1C[C@@H]([NH2+][C@H](c2cccnc2)c2ccc(F)c(F)c2)C12CCOCC2 ZINC000186316614 822875188 /nfs/dbraw/zinc/87/51/88/822875188.db2.gz YOEGIQKTLVUZKF-NJYVYQBISA-N 1 0 388.458 4.013 20 0 GIADRO CCN(C(=O)c1ccc(Cl)nc1Cl)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186321286 822875973 /nfs/dbraw/zinc/87/59/73/822875973.db2.gz JYNOYVKZGPUFHS-OAHLLOKOSA-N 1 0 378.303 4.125 20 0 GIADRO CC[C@@H](CC(F)F)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000457450941 822876088 /nfs/dbraw/zinc/87/60/88/822876088.db2.gz GJOHPWYHNKUOEJ-HNNXBMFYSA-N 1 0 381.467 4.121 20 0 GIADRO CC(=O)CCc1ccc(OC[C@H](O)C[NH2+][C@H](C)c2cc3ccccc3o2)cc1 ZINC000569066531 822876168 /nfs/dbraw/zinc/87/61/68/822876168.db2.gz IAWNFEQUFBZTFZ-YLJYHZDGSA-N 1 0 381.472 4.045 20 0 GIADRO COc1ccc(OCc2nc(C[NH2+]C[C@H]3CCCO[C@@H]3C(C)C)cs2)cc1 ZINC000175063067 822876198 /nfs/dbraw/zinc/87/61/98/822876198.db2.gz SZTLTKSJIVGHBP-IIBYNOLFSA-N 1 0 390.549 4.272 20 0 GIADRO C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000457452728 822876339 /nfs/dbraw/zinc/87/63/39/822876339.db2.gz RIPKPNZTWPTFBT-OAGGEKHMSA-N 1 0 387.446 4.179 20 0 GIADRO Cc1csc([C@@H](NC(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)C2CC2)n1 ZINC000186327272 822876690 /nfs/dbraw/zinc/87/66/90/822876690.db2.gz NXOWDCMHIMIVHW-UXHICEINSA-N 1 0 398.576 4.112 20 0 GIADRO Cc1noc([C@H]2CCC[N@H+](CCOC(c3ccccc3)c3ccccc3)C2)n1 ZINC000054341681 822877156 /nfs/dbraw/zinc/87/71/56/822877156.db2.gz TVYJNEDBLKGXOK-NRFANRHFSA-N 1 0 377.488 4.364 20 0 GIADRO Cc1cnc([C@@H](NC(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)C2CC2)s1 ZINC000186331214 822877213 /nfs/dbraw/zinc/87/72/13/822877213.db2.gz LIKLEHLHRFFVMV-PMACEKPBSA-N 1 0 398.576 4.112 20 0 GIADRO Cc1cnc([C@H](NC(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)C2CC2)s1 ZINC000186331195 822877227 /nfs/dbraw/zinc/87/72/27/822877227.db2.gz LIKLEHLHRFFVMV-VQTJNVASSA-N 1 0 398.576 4.112 20 0 GIADRO C[N@@H+]1CCN(CC(=O)Nc2ccccc2Oc2ccccc2)C2(CCCCC2)C1 ZINC000175069140 822877270 /nfs/dbraw/zinc/87/72/70/822877270.db2.gz CQTZWVZLKYEFOH-UHFFFAOYSA-N 1 0 393.531 4.368 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000186337683 822877918 /nfs/dbraw/zinc/87/79/18/822877918.db2.gz HLGXUYBJAUOQKH-UHFFFAOYSA-N 1 0 382.504 4.056 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)N[C@H]1CCSc2ccccc21 ZINC000457468599 822878094 /nfs/dbraw/zinc/87/80/94/822878094.db2.gz UGSOWSBFXKCIPG-KRWDZBQOSA-N 1 0 375.563 4.058 20 0 GIADRO COc1ccccc1Oc1ccc(NC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000569083185 822878299 /nfs/dbraw/zinc/87/82/99/822878299.db2.gz YDPIINGMWAHPRP-QFIPXVFZSA-N 1 0 381.476 4.095 20 0 GIADRO O=C(c1ccc(C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)cc1)N1CCCC1 ZINC000054358859 822878423 /nfs/dbraw/zinc/87/84/23/822878423.db2.gz VDOMDKAIHBPQFE-HXUWFJFHSA-N 1 0 384.545 4.165 20 0 GIADRO COc1ccccc1-c1nc(CN2CC[N@H+](C)[C@H](Cc3ccccc3)C2)cs1 ZINC000569087675 822878799 /nfs/dbraw/zinc/87/87/99/822878799.db2.gz JDQBOBMGCPWSPV-HXUWFJFHSA-N 1 0 393.556 4.177 20 0 GIADRO OC1(c2cccnc2)CCC([NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)CC1 ZINC000186344953 822879062 /nfs/dbraw/zinc/87/90/62/822879062.db2.gz BBHIFESVBFPRHW-UHFFFAOYSA-N 1 0 399.966 4.119 20 0 GIADRO [NH3+]C[C@H]1CC[C@H](CNC(=O)N2CCc3sccc3[C@H]2c2cccs2)CC1 ZINC000569094627 822879572 /nfs/dbraw/zinc/87/95/72/822879572.db2.gz UROSFTDUICGBQV-DOXZYTNZSA-N 1 0 389.590 4.232 20 0 GIADRO CC[N@@H+](Cc1ccc2c(c1)COC(C)(C)O2)CC1CCN(c2ccccn2)CC1 ZINC000186347881 822879702 /nfs/dbraw/zinc/87/97/02/822879702.db2.gz GDOAJWCAIOTFJO-UHFFFAOYSA-N 1 0 395.547 4.465 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2nc(C(F)(F)F)cs2)C1 ZINC000054384035 822880088 /nfs/dbraw/zinc/88/00/88/822880088.db2.gz HRASEFYLNROQNW-YPMHNXCESA-N 1 0 384.427 4.119 20 0 GIADRO C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000457489392 822880908 /nfs/dbraw/zinc/88/09/08/822880908.db2.gz LFQKVSVVSZSIQY-RBSFLKMASA-N 1 0 389.487 4.257 20 0 GIADRO COc1cc(OC)c([C@@H](C)[NH2+]C2CCC(O)(c3cccnc3)CC2)cc1Cl ZINC000186355715 822881083 /nfs/dbraw/zinc/88/10/83/822881083.db2.gz IKZKAAHZOVEEAL-HXJYWVFZSA-N 1 0 390.911 4.233 20 0 GIADRO COc1cc(NC(=O)C[NH2+][C@@H](c2ccccc2)C(C)(C)C)cc(OC)c1OC ZINC000054396822 822881932 /nfs/dbraw/zinc/88/19/32/822881932.db2.gz QNRCIPQGVODGSL-NRFANRHFSA-N 1 0 386.492 4.028 20 0 GIADRO C[C@H]([NH2+]Cc1ccc2c(c1)COC(C)(C)O2)c1ccc(NC(=O)NC2CC2)cc1 ZINC000186366182 822882518 /nfs/dbraw/zinc/88/25/18/822882518.db2.gz CPCXXSQFKSAVTB-HNNXBMFYSA-N 1 0 395.503 4.466 20 0 GIADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)CCCOc1cccc(Cl)c1Cl ZINC000569133446 822882630 /nfs/dbraw/zinc/88/26/30/822882630.db2.gz PQEVAZNIISPTDZ-CABCVRRESA-N 1 0 385.335 4.238 20 0 GIADRO CC(C)[NH+]1CCC(C(=O)NCCOc2c(Cl)cc(Cl)cc2Cl)CC1 ZINC000175104709 822882878 /nfs/dbraw/zinc/88/28/78/822882878.db2.gz WZPAVACDUYAJFC-UHFFFAOYSA-N 1 0 393.742 4.262 20 0 GIADRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]Cc1nnc(-c2ccccc2Br)o1 ZINC000186369381 822883142 /nfs/dbraw/zinc/88/31/42/822883142.db2.gz MBKPNXCRHQNBOT-CVEARBPZSA-N 1 0 394.313 4.182 20 0 GIADRO CC(C)[C@@H](NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)c1ccccc1 ZINC000457504977 822883157 /nfs/dbraw/zinc/88/31/57/822883157.db2.gz BGZZPXZRWQGAJO-GOSISDBHSA-N 1 0 385.474 4.442 20 0 GIADRO c1ccc(COCCC2(C[NH2+]C3CCN(Cc4ccccn4)CC3)CC2)cc1 ZINC000186371860 822883554 /nfs/dbraw/zinc/88/35/54/822883554.db2.gz LORXJELEDYNGBL-UHFFFAOYSA-N 1 0 379.548 4.023 20 0 GIADRO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CC1(CCOCc2ccccc2)CC1 ZINC000186371632 822883703 /nfs/dbraw/zinc/88/37/03/822883703.db2.gz WSAKPLMKUNGYDA-QPPBQGQZSA-N 1 0 393.575 4.269 20 0 GIADRO CC(=O)Nc1cc(NC(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)ccc1C ZINC000175117992 822885492 /nfs/dbraw/zinc/88/54/92/822885492.db2.gz VTWISZJSDLPIEF-GOSISDBHSA-N 1 0 394.519 4.082 20 0 GIADRO CC[NH+]1CCN(c2ccc(C(=O)Nc3ccc4nc(C5CC5)oc4c3)cc2)CC1 ZINC000175118536 822885512 /nfs/dbraw/zinc/88/55/12/822885512.db2.gz XOLBVEKKFQCBEA-UHFFFAOYSA-N 1 0 390.487 4.099 20 0 GIADRO CCCC(=O)Nc1cccc(NC(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000054436930 822885571 /nfs/dbraw/zinc/88/55/71/822885571.db2.gz IWTNGNNBYGEMDS-LAUBAEHRSA-N 1 0 394.519 4.382 20 0 GIADRO COc1ccccc1[C@H](C[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1)OC(C)C ZINC000186384110 822885702 /nfs/dbraw/zinc/88/57/02/822885702.db2.gz IUOVNDWNQXPDLS-VGSWGCGISA-N 1 0 398.503 4.469 20 0 GIADRO CC[C@]1(C[NH2+]Cc2ccc(Oc3cnccn3)cc2)OCCc2ccccc21 ZINC000569157808 822885710 /nfs/dbraw/zinc/88/57/10/822885710.db2.gz IHPMXHZZFWXHHU-HSZRJFAPSA-N 1 0 375.472 4.237 20 0 GIADRO Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000175120300 822886024 /nfs/dbraw/zinc/88/60/24/822886024.db2.gz SLLHQHBRWXUAEI-YLJYHZDGSA-N 1 0 394.519 4.194 20 0 GIADRO CC(C)c1cc(NC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)n(-c2ccccc2)n1 ZINC000569159729 822886180 /nfs/dbraw/zinc/88/61/80/822886180.db2.gz XGHZPUIKXPQODM-IBGZPJMESA-N 1 0 395.551 4.335 20 0 GIADRO CC[C@@H](CC(F)F)C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC000457528527 822886141 /nfs/dbraw/zinc/88/61/41/822886141.db2.gz KAYJWKYCIWMRAP-HNNXBMFYSA-N 1 0 381.467 4.121 20 0 GIADRO CC(=O)Nc1c(C)ccc(NC(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)c1C ZINC000054446103 822886729 /nfs/dbraw/zinc/88/67/29/822886729.db2.gz XDVRWBJZXOAFNO-HUUCEWRRSA-N 1 0 388.556 4.140 20 0 GIADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2ccc(Oc3cccc(F)c3)cn2)C1 ZINC000457531963 822886841 /nfs/dbraw/zinc/88/68/41/822886841.db2.gz WWBYJXNDXGTOCF-ZIFCJYIRSA-N 1 0 397.494 4.490 20 0 GIADRO CN(C)c1cc(C[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)c2ccccc2n1 ZINC000186392067 822886953 /nfs/dbraw/zinc/88/69/53/822886953.db2.gz XVBOOXFYSBUKEE-UHFFFAOYSA-N 1 0 377.488 4.236 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCC(F)(F)[C@H](C)C2)C1 ZINC000569165487 822886930 /nfs/dbraw/zinc/88/69/30/822886930.db2.gz QWYZVOBSHOHGRT-IAGOWNOFSA-N 1 0 379.495 4.105 20 0 GIADRO O=C(c1ccc(-c2ccccc2)cc1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000175124187 822887105 /nfs/dbraw/zinc/88/71/05/822887105.db2.gz UAFSTBITLFRHPH-UHFFFAOYSA-N 1 0 378.516 4.071 20 0 GIADRO COc1ccc([C@H](C[NH2+][C@@H](C)c2csc(C(C)C)n2)N(C)C)cc1OC ZINC000186393599 822887357 /nfs/dbraw/zinc/88/73/57/822887357.db2.gz MACHGWCASUBKOH-YOEHRIQHSA-N 1 0 377.554 4.237 20 0 GIADRO C[C@H](c1ccncc1)N1CCC([NH2+]Cc2ccc3c(c2)COC(C)(C)O3)CC1 ZINC000186400378 822888200 /nfs/dbraw/zinc/88/82/00/822888200.db2.gz SAIHCKDKDLVESZ-QGZVFWFLSA-N 1 0 381.520 4.042 20 0 GIADRO C[C@@H](Nc1ccc(N2CC[NH+](C)CC2)cc1)c1cc(Br)ccc1O ZINC000186401117 822888353 /nfs/dbraw/zinc/88/83/53/822888353.db2.gz PWPWWFHGJGUTTD-CQSZACIVSA-N 1 0 390.325 4.080 20 0 GIADRO COc1ccc(C[N@H+](Cc2cnc3cnccn23)[C@H]2CCCC[C@@H]2C)cc1OC ZINC000569172463 822888381 /nfs/dbraw/zinc/88/83/81/822888381.db2.gz LMVPHNXSVQEHII-PXNSSMCTSA-N 1 0 394.519 4.327 20 0 GIADRO CC1(C)OCc2cc(C[NH2+]C3CCC(Oc4ccc(C#N)cn4)CC3)ccc2O1 ZINC000186401304 822888552 /nfs/dbraw/zinc/88/85/52/822888552.db2.gz BDWQVKZOJOAQAL-UHFFFAOYSA-N 1 0 393.487 4.078 20 0 GIADRO CN(Cc1cc2ccccc2o1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000175152623 822893008 /nfs/dbraw/zinc/89/30/08/822893008.db2.gz FKXKXWFHAYLVKM-UHFFFAOYSA-N 1 0 377.488 4.239 20 0 GIADRO CC[C@H](NC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1nccs1 ZINC000175158229 822894318 /nfs/dbraw/zinc/89/43/18/822894318.db2.gz ZZIRDIPCQJBXNX-DZKIICNBSA-N 1 0 378.567 4.038 20 0 GIADRO C[C@@H](C(=O)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F)C1CCC1 ZINC000457591477 822895596 /nfs/dbraw/zinc/89/55/96/822895596.db2.gz BUDPJWCGAKTMES-AEFFLSMTSA-N 1 0 382.470 4.336 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(Oc3cccc(Cl)c3)cn2)C[C@H]1C ZINC000457591787 822895650 /nfs/dbraw/zinc/89/56/50/822895650.db2.gz ZXWACNSMCJHICU-WBVHZDCISA-N 1 0 387.911 4.472 20 0 GIADRO CC(C)(C)OC(=O)N1CCC(CC[N@@H+]2CC[C@]3(C2)OCc2ccccc23)CC1 ZINC000186440016 822896091 /nfs/dbraw/zinc/89/60/91/822896091.db2.gz INYQRZKAFNPZJG-HSZRJFAPSA-N 1 0 386.536 4.155 20 0 GIADRO CCCCOc1ccc(OC)cc1NC(=O)N(C)C1CC[NH+](CCC)CC1 ZINC000175166744 822896347 /nfs/dbraw/zinc/89/63/47/822896347.db2.gz HRLAQJDIYQBTRD-UHFFFAOYSA-N 1 0 377.529 4.212 20 0 GIADRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)Nc1ccc2oc(C(=O)OC)cc2c1)c1ccco1 ZINC000569249652 822896314 /nfs/dbraw/zinc/89/63/14/822896314.db2.gz IGQHUAIZNBXUCD-CJNGLKHVSA-N 1 0 399.447 4.063 20 0 GIADRO CC(C)CC[NH+]1CCC(CNC(=O)c2ccc(-n3cc[nH]c3=S)cc2)CC1 ZINC000175171717 822897295 /nfs/dbraw/zinc/89/72/95/822897295.db2.gz QAPULLHJGZZBNE-UHFFFAOYSA-N 1 0 386.565 4.023 20 0 GIADRO C[N@H+](CCC(=O)Nc1ccc(N2CCCC2=O)cc1)Cc1cc2ccccc2o1 ZINC000175175826 822897655 /nfs/dbraw/zinc/89/76/55/822897655.db2.gz BAPSAIHEEPRQAA-UHFFFAOYSA-N 1 0 391.471 4.020 20 0 GIADRO CCn1nccc1CC[N@@H+]1CCC[C@@H]1c1cc(Br)ccc1OC ZINC000569261391 822897680 /nfs/dbraw/zinc/89/76/80/822897680.db2.gz AYZXUILQYRUVGF-QGZVFWFLSA-N 1 0 378.314 4.054 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)COCc2cccc(Cl)c2)CC[N@@H+]1Cc1ccccc1 ZINC000457629415 822898721 /nfs/dbraw/zinc/89/87/21/822898721.db2.gz KWNNWJDUZBTZLF-DYESRHJHSA-N 1 0 386.923 4.026 20 0 GIADRO C[C@H]1C[C@H](NC(=O)COCc2cccc(Cl)c2)CC[N@@H+]1Cc1ccccc1 ZINC000457629417 822898786 /nfs/dbraw/zinc/89/87/86/822898786.db2.gz KWNNWJDUZBTZLF-LAUBAEHRSA-N 1 0 386.923 4.026 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCN(c2ccccc2C(F)(F)F)C1=O)c1ccc(Cl)nc1 ZINC000186459470 822899050 /nfs/dbraw/zinc/89/90/50/822899050.db2.gz BHHBUCFACRGVGV-RISCZKNCSA-N 1 0 383.801 4.210 20 0 GIADRO CCO[C@@H]1C[C@@H]([NH2+]C2(c3cccc(Br)c3)CC2)C12CCOCC2 ZINC000186461676 822899319 /nfs/dbraw/zinc/89/93/19/822899319.db2.gz LEMODWFZPPBJRG-IAGOWNOFSA-N 1 0 380.326 4.002 20 0 GIADRO Cc1cc(Br)c(C(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)s1 ZINC000457635933 822899424 /nfs/dbraw/zinc/89/94/24/822899424.db2.gz JOZINUOXCYQISQ-WFASDCNBSA-N 1 0 393.350 4.212 20 0 GIADRO COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]Cc2ncccc2N(C)C)cc1 ZINC000569278095 822900532 /nfs/dbraw/zinc/90/05/32/822900532.db2.gz RFNPLMBVXHXWNQ-OAQYLSRUSA-N 1 0 379.479 4.369 20 0 GIADRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)[C@H]1C[C@]1(C)C(C)C ZINC000186478196 822901760 /nfs/dbraw/zinc/90/17/60/822901760.db2.gz ILPIEOLTDSBHBC-TXTKFYIRSA-N 1 0 380.536 4.259 20 0 GIADRO Cc1cnn(CCCCC[NH2+][C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000569292919 822902669 /nfs/dbraw/zinc/90/26/69/822902669.db2.gz FJDHSVOUOHFRQL-PMACEKPBSA-N 1 0 378.923 4.189 20 0 GIADRO Cc1c([C@@H](C)[NH2+][C@H]2CCc3cnn(C(C)C)c3C2)nnn1-c1cccc(Cl)c1 ZINC000569300624 822903988 /nfs/dbraw/zinc/90/39/88/822903988.db2.gz CSIMYLYYWLZTJC-KDOFPFPSSA-N 1 0 398.942 4.215 20 0 GIADRO Cc1cc(OCc2ccccc2)c(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)s1 ZINC000457670238 822904304 /nfs/dbraw/zinc/90/43/04/822904304.db2.gz XDIYQACRDROZKG-RTBURBONSA-N 1 0 384.545 4.192 20 0 GIADRO COc1ccccc1-c1ncc(C[NH2+][C@@H]2CCO[C@@H](c3ccccc3)C2)cn1 ZINC000569303834 822904601 /nfs/dbraw/zinc/90/46/01/822904601.db2.gz VNNBVGMCXNDIKX-DENIHFKCSA-N 1 0 375.472 4.162 20 0 GIADRO C[C@H](CC(F)(F)F)C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000457675539 822904990 /nfs/dbraw/zinc/90/49/90/822904990.db2.gz ASKRLKPTFWESRH-IFUGULHKSA-N 1 0 380.813 4.177 20 0 GIADRO Cc1cccc(Oc2ccc(C(=O)N3CCC(CCC[NH+](C)C)CC3)nc2)c1 ZINC000457675605 822905355 /nfs/dbraw/zinc/90/53/55/822905355.db2.gz AZRFAXNIBWGVOM-UHFFFAOYSA-N 1 0 381.520 4.376 20 0 GIADRO Cc1cc(C)n(-c2ccc(C[NH+]3CCC(O)(c4c(F)cccc4F)CC3)cc2)n1 ZINC000186502129 822905500 /nfs/dbraw/zinc/90/55/00/822905500.db2.gz WMMUVEDENPYYHJ-UHFFFAOYSA-N 1 0 397.469 4.251 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)NC3(Cc4ccccc4)CCOCC3)ccc21 ZINC000569312216 822905889 /nfs/dbraw/zinc/90/58/89/822905889.db2.gz GFYFYTVFHHQTNT-QFIPXVFZSA-N 1 0 393.531 4.149 20 0 GIADRO C[NH+]1CCC2(CCCN2C(=O)c2ccc(Oc3cccc(Cl)c3)cn2)CC1 ZINC000457684309 822906387 /nfs/dbraw/zinc/90/63/87/822906387.db2.gz CNDIYCSXGJNMMJ-UHFFFAOYSA-N 1 0 385.895 4.228 20 0 GIADRO Cc1ccc(-c2cnc(CCC(=O)N(CC[NH+](C)C)Cc3ccccc3)o2)cc1 ZINC000054686250 822906348 /nfs/dbraw/zinc/90/63/48/822906348.db2.gz FFEKZUJURHQXNL-UHFFFAOYSA-N 1 0 391.515 4.173 20 0 GIADRO Cc1cc(C(=O)OC(C)(C)C)cc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000457688325 822906902 /nfs/dbraw/zinc/90/69/02/822906902.db2.gz VBGKPTSTNGIKKF-UTKZUKDTSA-N 1 0 398.547 4.039 20 0 GIADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc(Oc2cccc(Cl)c2)cn1 ZINC000457688735 822906925 /nfs/dbraw/zinc/90/69/25/822906925.db2.gz LHVZCMQOVDFNFF-HNNXBMFYSA-N 1 0 387.911 4.330 20 0 GIADRO COc1ccc2c(c1F)CC[C@H]2[NH2+]C[C@H](CO)Cc1ccccc1C(F)(F)F ZINC000569326979 822908140 /nfs/dbraw/zinc/90/81/40/822908140.db2.gz FGYIJECJWCUMNY-FZKQIMNGSA-N 1 0 397.412 4.281 20 0 GIADRO Cc1ccc(C[NH2+][C@H]2CCN(c3c(F)cccc3F)C2)c(-c2ccnn2C)c1 ZINC000569359166 822911096 /nfs/dbraw/zinc/91/10/96/822911096.db2.gz DYELUMYZZJMVRO-KRWDZBQOSA-N 1 0 382.458 4.042 20 0 GIADRO COc1cccc([C@H]2C[C@H](N(C)C(=O)NCCCC[N@@H+]3CCC[C@H](C)C3)C2)c1 ZINC000457728625 822911754 /nfs/dbraw/zinc/91/17/54/822911754.db2.gz HEPVZYYATKLATF-JBACZVJFSA-N 1 0 387.568 4.095 20 0 GIADRO Cc1ccc(OCCCC(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)c(Cl)c1 ZINC000569371624 822912472 /nfs/dbraw/zinc/91/24/72/822912472.db2.gz FJBVBLREPHVDKE-QGZVFWFLSA-N 1 0 378.944 4.140 20 0 GIADRO CCC[NH+]1CCN(c2ccc(NC(=O)[C@@H](CC)CC(F)F)c(OCC)c2)CC1 ZINC000457738080 822912640 /nfs/dbraw/zinc/91/26/40/822912640.db2.gz QFGCUBMGEHDTTE-INIZCTEOSA-N 1 0 397.510 4.237 20 0 GIADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)C1 ZINC000054805940 822914215 /nfs/dbraw/zinc/91/42/15/822914215.db2.gz DQMXOJYICRAZST-ROUUACIJSA-N 1 0 398.551 4.227 20 0 GIADRO COc1ccc(C[N@H+](Cc2cccc(C(=O)N3CCCCC3)c2)C2CC2)cc1 ZINC000054808062 822914667 /nfs/dbraw/zinc/91/46/67/822914667.db2.gz HJDZXVMYXQMLSE-UHFFFAOYSA-N 1 0 378.516 4.486 20 0 GIADRO CC[C@@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCO2)c1ccc2c(c1)OCCO2 ZINC000054809865 822914948 /nfs/dbraw/zinc/91/49/48/822914948.db2.gz IASJJZHCQGYBKL-MRXNPFEDSA-N 1 0 375.852 4.123 20 0 GIADRO COc1cccc([C@H]2C[C@H](N(C)C(=O)NCCCC[NH+]3CCC(C)CC3)C2)c1 ZINC000457755055 822915413 /nfs/dbraw/zinc/91/54/13/822915413.db2.gz XFMQDDCLCJYUTC-MEMLXQNLSA-N 1 0 387.568 4.095 20 0 GIADRO O=C(Cc1ccccc1OC1CCCC1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000457761342 822915834 /nfs/dbraw/zinc/91/58/34/822915834.db2.gz IXNYUPSQBUTMED-OAQYLSRUSA-N 1 0 392.543 4.189 20 0 GIADRO Cc1cc(Br)c(C(=O)Nc2cccc3c2OCC[C@H]3[NH+](C)C)s1 ZINC000457762041 822916210 /nfs/dbraw/zinc/91/62/10/822916210.db2.gz JCCIVDCZZXGXNH-CQSZACIVSA-N 1 0 395.322 4.457 20 0 GIADRO Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)N[C@@H](C)C[N@H+](C)C(C)C)cs1 ZINC000569399081 822916713 /nfs/dbraw/zinc/91/67/13/822916713.db2.gz DMTVVXWOMFIPLV-HNNXBMFYSA-N 1 0 391.556 4.380 20 0 GIADRO C[NH+](C)Cc1cccc(CNC(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)c1 ZINC000457781884 822918760 /nfs/dbraw/zinc/91/87/60/822918760.db2.gz YNMDGAVCSOLZRG-NRFANRHFSA-N 1 0 391.519 4.061 20 0 GIADRO CC[NH+]1CCC(CNC(=O)N[C@@H](Cc2ccccc2)c2ccc(OC)cc2)CC1 ZINC000569417272 822919768 /nfs/dbraw/zinc/91/97/68/822919768.db2.gz DMTGUEVXNCXQTN-QHCPKHFHSA-N 1 0 395.547 4.010 20 0 GIADRO CCOc1c(F)cccc1C(=O)N(CC)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000175268887 822920104 /nfs/dbraw/zinc/92/01/04/822920104.db2.gz KDIJJYDDEUYVSL-IBGZPJMESA-N 1 0 384.495 4.209 20 0 GIADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)Nc3ccc(Oc4ccc(Cl)cc4)nc3)C2)C1 ZINC000569420062 822920340 /nfs/dbraw/zinc/92/03/40/822920340.db2.gz DPMQXNMLLOYVEY-HXUWFJFHSA-N 1 0 386.883 4.087 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(F)c(F)c(F)c1 ZINC000175271012 822920927 /nfs/dbraw/zinc/92/09/27/822920927.db2.gz CSPGZOAJVRPBAL-INIZCTEOSA-N 1 0 376.422 4.088 20 0 GIADRO Cc1nn(-c2ccccc2)cc1CCC[NH2+]Cc1cncc(Br)c1 ZINC000186600329 822921446 /nfs/dbraw/zinc/92/14/46/822921446.db2.gz KKNBZBWATRJGJN-UHFFFAOYSA-N 1 0 385.309 4.061 20 0 GIADRO O=C(CCc1ccc2ccccc2c1)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000186615676 822923892 /nfs/dbraw/zinc/92/38/92/822923892.db2.gz ODXGJFIUWQLYJB-DEOSSOPVSA-N 1 0 387.527 4.338 20 0 GIADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(Oc2cccc(Cl)c2)cn1 ZINC000457832280 822923837 /nfs/dbraw/zinc/92/38/37/822923837.db2.gz YHCLENGYIPMURC-YWZLYKJASA-N 1 0 385.895 4.226 20 0 GIADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)N[C@@H](c3ccccc3)c3ccc(F)cc3)C2)C1 ZINC000457834006 822924011 /nfs/dbraw/zinc/92/40/11/822924011.db2.gz QQJPDPGHJQYAIH-JTHBVZDNSA-N 1 0 381.495 4.042 20 0 GIADRO COc1ccccc1CN(C)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000054953231 822924589 /nfs/dbraw/zinc/92/45/89/822924589.db2.gz LSYLYBSCXBZEEP-UHFFFAOYSA-N 1 0 381.520 4.023 20 0 GIADRO O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457843492 822924781 /nfs/dbraw/zinc/92/47/81/822924781.db2.gz KXSDYQIIQRINAJ-YCAMKHIRSA-N 1 0 396.575 4.237 20 0 GIADRO O=C([C@H]1CCC[N@H+](Cc2cccnc2)C1)N1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000569449132 822925002 /nfs/dbraw/zinc/92/50/02/822925002.db2.gz WBNWZOSIADXMJO-XZOQPEGZSA-N 1 0 389.543 4.090 20 0 GIADRO Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H](c2cnn(C)c2)c2ccc(F)cc2)c(C)c1 ZINC000186627106 822925865 /nfs/dbraw/zinc/92/58/65/822925865.db2.gz ZKQWZHMYDWKLCT-UZUQRXQVSA-N 1 0 394.494 4.272 20 0 GIADRO Brc1ccc(-c2nccc(C[N@@H+]3CC[C@H](c4ccncc4)C3)n2)cc1 ZINC000569468585 822926709 /nfs/dbraw/zinc/92/67/09/822926709.db2.gz GLLPSPUWDAFGPR-KRWDZBQOSA-N 1 0 395.304 4.291 20 0 GIADRO CC[C@@H](NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccncc1 ZINC000175293550 822926824 /nfs/dbraw/zinc/92/68/24/822926824.db2.gz UPNIWXQLHOPTSQ-STZQEDGTSA-N 1 0 380.536 4.227 20 0 GIADRO CC[N@@H+]1CCC[C@H]1CNC(=S)Nc1cccc(NC(=O)c2ccccc2)c1C ZINC000054975477 822927332 /nfs/dbraw/zinc/92/73/32/822927332.db2.gz HTZBRHMXIMHKHS-SFHVURJKSA-N 1 0 396.560 4.018 20 0 GIADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H](c1ccccc1)C(C)C ZINC000175296037 822927616 /nfs/dbraw/zinc/92/76/16/822927616.db2.gz GPYAVCSHZYKSJA-QHCPKHFHSA-N 1 0 395.547 4.215 20 0 GIADRO Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000569477223 822928001 /nfs/dbraw/zinc/92/80/01/822928001.db2.gz ZBDAXVPMQOAJKU-KZNAEPCWSA-N 1 0 394.494 4.236 20 0 GIADRO CCCCOc1ccc([C@@H](C)NC(=O)NCc2ccc3c[nH+]cn3c2)cc1OC ZINC000457884096 822928343 /nfs/dbraw/zinc/92/83/43/822928343.db2.gz XWOOSKAIWJBYAU-MRXNPFEDSA-N 1 0 396.491 4.082 20 0 GIADRO C[C@@H](CC(F)(F)F)C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000457886105 822928640 /nfs/dbraw/zinc/92/86/40/822928640.db2.gz VWTRQXJMWYBOSU-NSHDSACASA-N 1 0 378.822 4.340 20 0 GIADRO Cc1ccc(C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)c(-c2cnn(C)c2)c1 ZINC000569491575 822929238 /nfs/dbraw/zinc/92/92/38/822929238.db2.gz XLGDZTIAWBHMST-UHFFFAOYSA-N 1 0 383.536 4.386 20 0 GIADRO Cn1cc([C@@H]([NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)c2ccc(F)cc2)cn1 ZINC000186649888 822929433 /nfs/dbraw/zinc/92/94/33/822929433.db2.gz UNCAHSMMGVRLBZ-GQOXECLESA-N 1 0 387.499 4.139 20 0 GIADRO COc1ccc(CNC(=S)Nc2ccc(CC[NH+]3CCCCC3)cc2)cc1 ZINC000055005202 822930077 /nfs/dbraw/zinc/93/00/77/822930077.db2.gz QGGUEBIDGXBMFC-UHFFFAOYSA-N 1 0 383.561 4.210 20 0 GIADRO CC(C)[C@@H]([NH2+][C@@H](C)Cn1cc(Br)ccc1=O)c1ccc(F)cc1 ZINC000569511119 822932061 /nfs/dbraw/zinc/93/20/61/822932061.db2.gz DNGYFRIRVWNMKH-SCLBCKFNSA-N 1 0 381.289 4.125 20 0 GIADRO CC(C)(C)[NH+]1CCC(NC(=O)NC2(c3ccc(OC(F)(F)F)cc3)CC2)CC1 ZINC000457906956 822932495 /nfs/dbraw/zinc/93/24/95/822932495.db2.gz WMROXAJVOGWLRB-UHFFFAOYSA-N 1 0 399.457 4.136 20 0 GIADRO Cc1ccc(-n2cnn(CN3CC[NH+](CCC(C)(C)C)CC3)c2=S)c(C)c1 ZINC000055035601 822932742 /nfs/dbraw/zinc/93/27/42/822932742.db2.gz QORCMJNEMVZQEO-UHFFFAOYSA-N 1 0 387.597 4.031 20 0 GIADRO Brc1ccc2ncc(C[NH2+]C[C@H]3CC[C@@H](c4ccccc4)O3)n2c1 ZINC000569514356 822932780 /nfs/dbraw/zinc/93/27/80/822932780.db2.gz ZARXKMSRJUZWEK-MSOLQXFVSA-N 1 0 386.293 4.107 20 0 GIADRO NC(=O)[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]Cc1ccc2sccc2c1 ZINC000569516273 822933160 /nfs/dbraw/zinc/93/31/60/822933160.db2.gz ALWGWOJGIMEFFF-INIZCTEOSA-N 1 0 378.419 4.106 20 0 GIADRO c1csc(-c2nn(-c3ccccc3)cc2C[NH2+]C2CCN(C3CC3)CC2)c1 ZINC000055043115 822933718 /nfs/dbraw/zinc/93/37/18/822933718.db2.gz VJKWGWMXRNVEME-UHFFFAOYSA-N 1 0 378.545 4.317 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)N(C)[C@@H](C)c1cccs1)[NH+]1CCCC1 ZINC000055044795 822933882 /nfs/dbraw/zinc/93/38/82/822933882.db2.gz RRFKUGKOLPDZGZ-FUHWJXTLSA-N 1 0 387.549 4.296 20 0 GIADRO COc1cc(F)c(F)cc1NC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000569535273 822936301 /nfs/dbraw/zinc/93/63/01/822936301.db2.gz XHXGMPSRDFRBEM-MRXNPFEDSA-N 1 0 383.826 4.051 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)Nc2cccc(OCC(F)(F)F)c2C)CC1 ZINC000175328057 822936336 /nfs/dbraw/zinc/93/63/36/822936336.db2.gz XOBFJDVEVXWIIO-UHFFFAOYSA-N 1 0 387.446 4.274 20 0 GIADRO C[C@H](NC(=O)NC[C@@H](c1cccs1)[NH+](C)C)c1ccccc1C(F)(F)F ZINC000055087572 822937024 /nfs/dbraw/zinc/93/70/24/822937024.db2.gz ZHNHOUGKCADGSY-WFASDCNBSA-N 1 0 385.455 4.430 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](C(C)(C)C)C(F)(F)F)[C@@H]1c1cccs1 ZINC000569541922 822937504 /nfs/dbraw/zinc/93/75/04/822937504.db2.gz GWPBGGJEJNYMNV-YUELXQCFSA-N 1 0 391.503 4.407 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)Nc2ccccc2-n2cccn2)CC1 ZINC000175334078 822938386 /nfs/dbraw/zinc/93/83/86/822938386.db2.gz YAGJNUFTZVSRAJ-UHFFFAOYSA-N 1 0 389.503 4.001 20 0 GIADRO CCc1c(C(=O)Nc2ccccc2OCC[NH+](CC)CC)[nH]c(C)c1C(C)=O ZINC000055112150 822939108 /nfs/dbraw/zinc/93/91/08/822939108.db2.gz IFTHERFQIGYFQH-UHFFFAOYSA-N 1 0 385.508 4.061 20 0 GIADRO CC(C)[NH+]1CCC(N(C)C(=O)[C@H](C)Sc2ccc(Br)cc2)CC1 ZINC000055117214 822939577 /nfs/dbraw/zinc/93/95/77/822939577.db2.gz OYWRSGPQRYBLOO-AWEZNQCLSA-N 1 0 399.398 4.261 20 0 GIADRO O=C(CC[N@@H+]1CC[C@@]2(C1)OCc1ccccc12)Nc1ccccc1C(F)(F)F ZINC000186699031 822940159 /nfs/dbraw/zinc/94/01/59/822940159.db2.gz XHRQYXCGRDLAGA-FQEVSTJZSA-N 1 0 390.405 4.165 20 0 GIADRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCCS3(=O)=O)c(F)c2)c2ccccc21 ZINC000186706290 822941279 /nfs/dbraw/zinc/94/12/79/822941279.db2.gz SVTQFDPUOCCDAP-FOIQADDNSA-N 1 0 388.508 4.094 20 0 GIADRO C[NH+](C)C[C@H](CNC(=O)CCc1ccc(F)cc1F)c1ccc(Cl)cc1 ZINC000569583873 822942106 /nfs/dbraw/zinc/94/21/06/822942106.db2.gz ZKHVLTXEJLDFCZ-INIZCTEOSA-N 1 0 380.866 4.012 20 0 GIADRO COC(=O)c1ccc(C[NH2+][C@@H]2CCc3sc(Br)cc32)cc1OC ZINC000569586557 822942382 /nfs/dbraw/zinc/94/23/82/822942382.db2.gz VBBGYFCSQQQTNF-CYBMUJFWSA-N 1 0 396.306 4.083 20 0 GIADRO O=C(NC1CC[NH+](C2CC2)CC1)c1cccc(OCc2cccc(Cl)c2)c1 ZINC000055166079 822942937 /nfs/dbraw/zinc/94/29/37/822942937.db2.gz FALYXOHVQUYDRX-UHFFFAOYSA-N 1 0 384.907 4.276 20 0 GIADRO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)c1cnccc1C(F)(F)F ZINC000569622478 822946359 /nfs/dbraw/zinc/94/63/59/822946359.db2.gz YBRPOJNQPHMPPW-UHFFFAOYSA-N 1 0 391.437 4.406 20 0 GIADRO CCc1nnc(-c2cccc(NC(=O)[C@H]3CCC[N@H+](Cc4ccccc4)C3)c2)o1 ZINC000175361871 822946526 /nfs/dbraw/zinc/94/65/26/822946526.db2.gz IIEYNIKQYLWBJT-IBGZPJMESA-N 1 0 390.487 4.150 20 0 GIADRO O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CCC(c2ccc(O)cc2)CC1 ZINC000055234375 822947256 /nfs/dbraw/zinc/94/72/56/822947256.db2.gz UOUWFCSFZITHGF-UHFFFAOYSA-N 1 0 378.516 4.398 20 0 GIADRO CC1=C[C@@H](C)C[C@H](C[NH2+]Cc2cccc(N3C(=O)NC4(CCCC4)C3=O)c2)C1 ZINC000569629687 822947282 /nfs/dbraw/zinc/94/72/82/822947282.db2.gz HIUPLCJUBVVFGZ-APWZRJJASA-N 1 0 381.520 4.138 20 0 GIADRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N2CCC(OCC3CCCC3)CC2)C1 ZINC000175370596 822949438 /nfs/dbraw/zinc/94/94/38/822949438.db2.gz VZJISYXWXKZYNM-PMACEKPBSA-N 1 0 393.616 4.125 20 0 GIADRO COc1cc(-c2noc([C@@H]3[C@H](C)[C@H]3c3ccccc3)n2)ccc1OCC[NH+](C)C ZINC000569645907 822949581 /nfs/dbraw/zinc/94/95/81/822949581.db2.gz FWWORMCNPYJCNZ-GQWLDOHISA-N 1 0 393.487 4.203 20 0 GIADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H](C)c1nccs1 ZINC000186754212 822950320 /nfs/dbraw/zinc/95/03/20/822950320.db2.gz MFGWEMKZYNUFPP-NWDGAFQWSA-N 1 0 382.327 4.016 20 0 GIADRO CCC(CC)(C(=O)NCC1(SC)CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000569656602 822951301 /nfs/dbraw/zinc/95/13/01/822951301.db2.gz NLYGMJYWXMUUJF-UHFFFAOYSA-N 1 0 383.001 4.341 20 0 GIADRO Cc1cnc([C@H](C)C[NH2+][C@@H](C)CC(=O)N(C)Cc2ccccc2Cl)s1 ZINC000186766483 822951693 /nfs/dbraw/zinc/95/16/93/822951693.db2.gz ZWVHPIAPOXUOEG-KGLIPLIRSA-N 1 0 379.957 4.235 20 0 GIADRO CC(C)Oc1ccc2[nH+]ccc(N[C@@H](C)c3ncc(Br)cn3)c2c1 ZINC000569662811 822952429 /nfs/dbraw/zinc/95/24/29/822952429.db2.gz XCQIMZWDQWACLQ-LBPRGKRZSA-N 1 0 387.281 4.170 20 0 GIADRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)[C@H](C)c2ccc(OC)cc2)cc1 ZINC000569675174 822953848 /nfs/dbraw/zinc/95/38/48/822953848.db2.gz UCGVRKRMEXIFQZ-ULQDDVLXSA-N 1 0 375.534 4.332 20 0 GIADRO Cc1cc([C@@H](C)NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)c(C)o1 ZINC000458059012 822954491 /nfs/dbraw/zinc/95/44/91/822954491.db2.gz NTHVGSOQXGKXHP-CYBMUJFWSA-N 1 0 375.435 4.016 20 0 GIADRO CN(C(=O)NCc1cccc2ccccc21)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458060700 822954640 /nfs/dbraw/zinc/95/46/40/822954640.db2.gz KLTLPIFSBIZFOX-UHFFFAOYSA-N 1 0 393.453 4.398 20 0 GIADRO CCN(C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@@H](C)Cc1ccsc1 ZINC000186783573 822954697 /nfs/dbraw/zinc/95/46/97/822954697.db2.gz WZQXGZHWSWBDSJ-WMZOPIPTSA-N 1 0 375.538 4.141 20 0 GIADRO Cc1cc(F)ccc1-c1ccc(C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)cc1F ZINC000569690556 822955721 /nfs/dbraw/zinc/95/57/21/822955721.db2.gz GHSQHOQWQIKGLX-GOSISDBHSA-N 1 0 384.470 4.402 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc2c(c1)OCO2)C(=O)Nc1ccc(Cl)cc1Cl ZINC000055374908 822955817 /nfs/dbraw/zinc/95/58/17/822955817.db2.gz SNHBZOUGGJNWJN-GHMZBOCLSA-N 1 0 381.259 4.400 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl)c1ccc2c(c1)OCO2 ZINC000055374976 822955829 /nfs/dbraw/zinc/95/58/29/822955829.db2.gz YMDXDMIMLLJHLT-MNOVXSKESA-N 1 0 381.259 4.400 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)OCO2)C(=O)Nc1cc(Cl)ccc1Cl ZINC000055374974 822955847 /nfs/dbraw/zinc/95/58/47/822955847.db2.gz YMDXDMIMLLJHLT-QWRGUYRKSA-N 1 0 381.259 4.400 20 0 GIADRO O=C(NC[C@H](c1ccccc1)C(F)(F)F)NC1CC[NH+](CC2CCCC2)CC1 ZINC000186793200 822956188 /nfs/dbraw/zinc/95/61/88/822956188.db2.gz BWYYYBPVSBBJIK-LJQANCHMSA-N 1 0 397.485 4.286 20 0 GIADRO CN(C(=O)CCSc1ccccc1Br)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000569704027 822956956 /nfs/dbraw/zinc/95/69/56/822956956.db2.gz FCIVEKOIYJYMMV-YIONKMFJSA-N 1 0 397.382 4.015 20 0 GIADRO C[NH+](C)[C@H](CNc1nc(-c2ccncc2)nc2ccccc21)c1cccs1 ZINC000055396800 822957363 /nfs/dbraw/zinc/95/73/63/822957363.db2.gz OUQZQMQSACLMJF-GOSISDBHSA-N 1 0 375.501 4.468 20 0 GIADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccc(C2SCCCS2)cc1 ZINC000055403091 822957805 /nfs/dbraw/zinc/95/78/05/822957805.db2.gz RYRKKYAPWXZHSO-JKSUJKDBSA-N 1 0 378.607 4.406 20 0 GIADRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)c1cccc(Oc2cnccn2)c1 ZINC000186803693 822958073 /nfs/dbraw/zinc/95/80/73/822958073.db2.gz UVUBMJPAIKNURI-UHFFFAOYSA-N 1 0 382.508 4.043 20 0 GIADRO C[C@H](CC(=O)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000569720184 822958827 /nfs/dbraw/zinc/95/88/27/822958827.db2.gz BGAKFQJSKNJHTN-HSMVNMDESA-N 1 0 394.384 4.033 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)c(CC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)s1 ZINC000569721765 822959137 /nfs/dbraw/zinc/95/91/37/822959137.db2.gz HURFFSZZMMPAHD-KRWDZBQOSA-N 1 0 397.588 4.302 20 0 GIADRO C[C@@H]1[C@H](NC(=O)N2CC[C@H](C(F)(F)F)C2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000569726328 822959315 /nfs/dbraw/zinc/95/93/15/822959315.db2.gz SZMFSEYYARJAKY-OIISXLGYSA-N 1 0 383.458 4.022 20 0 GIADRO C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[N@@H+]1CCSC2(CCOCC2)C1 ZINC000186819065 822960736 /nfs/dbraw/zinc/96/07/36/822960736.db2.gz JRDRYHURKYVLKY-ZWKOTPCHSA-N 1 0 398.572 4.004 20 0 GIADRO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000175406641 822961010 /nfs/dbraw/zinc/96/10/10/822961010.db2.gz CIIOFVTWRVMPOD-FXUCQVAHSA-N 1 0 394.581 4.064 20 0 GIADRO CC(C)(C)OCc1cc(C[NH2+][C@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)no1 ZINC000186823667 822961687 /nfs/dbraw/zinc/96/16/87/822961687.db2.gz HHVULDAUWHPCBD-YJBOKZPZSA-N 1 0 395.544 4.163 20 0 GIADRO CC[C@]1(C[NH2+]Cc2ccc(OC(F)F)c(OC)c2)OCCc2ccccc21 ZINC000569746459 822962836 /nfs/dbraw/zinc/96/28/36/822962836.db2.gz PXLJQVAKMIEWAA-OAQYLSRUSA-N 1 0 377.431 4.264 20 0 GIADRO C[N@@H+]1CCC[C@H](CCNC(=O)c2cc(NC(=O)CC(C)(C)C)ccc2Cl)C1 ZINC000458156990 822963387 /nfs/dbraw/zinc/96/33/87/822963387.db2.gz BYYDLBOGNKPHCR-OAHLLOKOSA-N 1 0 393.959 4.176 20 0 GIADRO CC[C@H]([NH2+][C@@H]1CCCc2c(O)cccc21)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000569751950 822963550 /nfs/dbraw/zinc/96/35/50/822963550.db2.gz XAFFFTOEPNUUBF-QZNHQXDQSA-N 1 0 376.504 4.327 20 0 GIADRO CC[C@H]([NH2+]Cc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1)c1cccc(F)c1 ZINC000569753617 822963842 /nfs/dbraw/zinc/96/38/42/822963842.db2.gz XFVHVIJJAMIADG-REWPJTCUSA-N 1 0 395.478 4.292 20 0 GIADRO CC(C)n1c2ccc(C(=O)NCC[C@H]3CCC[N@H+](C)C3)cc2nc1C(F)(F)F ZINC000458162575 822963868 /nfs/dbraw/zinc/96/38/68/822963868.db2.gz IRXWGLUSCSYLSY-CQSZACIVSA-N 1 0 396.457 4.098 20 0 GIADRO CCc1cc2oc(=O)cc(C[N@@H+]3CCSC4(CCOCC4)C3)c2cc1Cl ZINC000186834638 822963909 /nfs/dbraw/zinc/96/39/09/822963909.db2.gz NDPHJKDZMVAJJC-UHFFFAOYSA-N 1 0 393.936 4.107 20 0 GIADRO COc1cc(C)c(NC(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)cc1F ZINC000186833829 822963932 /nfs/dbraw/zinc/96/39/32/822963932.db2.gz ABYPGSQFGVLEGK-KRWDZBQOSA-N 1 0 385.483 4.271 20 0 GIADRO O=C(Nc1ccc2c(c1)CCCO2)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000569757547 822964266 /nfs/dbraw/zinc/96/42/66/822964266.db2.gz SHCXXIQOCFZIHK-XMMPIXPASA-N 1 0 391.515 4.142 20 0 GIADRO CCCC[NH+]1CCC(NC(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)CC1 ZINC000458168490 822964491 /nfs/dbraw/zinc/96/44/91/822964491.db2.gz SJHBEZBARNLWIC-FQEVSTJZSA-N 1 0 383.540 4.064 20 0 GIADRO C[N@@H+]1CCC[C@@H](CCNC(=O)CCSc2ccnc3cc(Cl)ccc32)C1 ZINC000458176457 822965407 /nfs/dbraw/zinc/96/54/07/822965407.db2.gz CYODPEQJCZHKSW-HNNXBMFYSA-N 1 0 391.968 4.219 20 0 GIADRO COC(=O)COc1ccccc1[C@H](C)[NH2+]C[C@@H](c1ccccc1)C(F)(F)F ZINC000186842852 822965978 /nfs/dbraw/zinc/96/59/78/822965978.db2.gz CQIPICASKSCHEF-YOEHRIQHSA-N 1 0 381.394 4.235 20 0 GIADRO Cc1cc(NC(=O)c2sccc2Br)ccc1OCC[NH+](C)C ZINC000458188044 822966671 /nfs/dbraw/zinc/96/66/71/822966671.db2.gz BRRRELPKDJUZNT-UHFFFAOYSA-N 1 0 383.311 4.012 20 0 GIADRO COC[C@H]([NH2+]Cc1cc(C)nc(N2CCCC2)c1)c1cccc(C(F)(F)F)c1 ZINC000569773820 822966747 /nfs/dbraw/zinc/96/67/47/822966747.db2.gz YSCGCZLPHWLNMW-IBGZPJMESA-N 1 0 393.453 4.486 20 0 GIADRO O=C(c1ccc(C[NH2+]Cc2ccc(Br)s2)cc1)N1CCCC1 ZINC000055472645 822967810 /nfs/dbraw/zinc/96/78/10/822967810.db2.gz UDLKJOIUTWQOIW-UHFFFAOYSA-N 1 0 379.323 4.036 20 0 GIADRO Cc1cc(NC(=O)CCc2cncc3ccccc32)ccc1OCC[NH+](C)C ZINC000458212231 822969449 /nfs/dbraw/zinc/96/94/49/822969449.db2.gz MSMAXSWDQMTALL-UHFFFAOYSA-N 1 0 377.488 4.055 20 0 GIADRO CCC1(c2ccccc2)CN(C(=O)c2ccc(C[NH+]3CCSCC3)cc2)C1 ZINC000458214947 822969627 /nfs/dbraw/zinc/96/96/27/822969627.db2.gz BENQGKSTYWMLKQ-UHFFFAOYSA-N 1 0 380.557 4.039 20 0 GIADRO O=C(Nc1ccc(Cl)c(OC(F)F)c1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000569791530 822969703 /nfs/dbraw/zinc/96/97/03/822969703.db2.gz OYTADAWIOAACPY-DOMZBBRYSA-N 1 0 387.858 4.327 20 0 GIADRO C[C@H](Cc1coc2ccccc12)[NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000569794067 822969989 /nfs/dbraw/zinc/96/99/89/822969989.db2.gz YYJSNTUUPRJGEU-DNVCBOLYSA-N 1 0 390.462 4.366 20 0 GIADRO CCn1ncc(C(=O)Nc2ccc(OCC[NH+](C)C)c(C)c2)c1-c1ccccc1 ZINC000458222028 822970631 /nfs/dbraw/zinc/97/06/31/822970631.db2.gz UYRZIVYOZMAQJC-UHFFFAOYSA-N 1 0 392.503 4.071 20 0 GIADRO C[N@@H+]1CCC[C@@H](CCNC(=O)Cc2csc3ccc(Br)cc23)C1 ZINC000458238243 822972687 /nfs/dbraw/zinc/97/26/87/822972687.db2.gz ZWZJMYQBEGVRQB-ZDUSSCGKSA-N 1 0 395.366 4.054 20 0 GIADRO C[C@H]([NH2+]C[C@H](C1CC1)N(C)Cc1ccccc1)c1cccc(N2CCOC2=O)c1 ZINC000186876764 822972894 /nfs/dbraw/zinc/97/28/94/822972894.db2.gz WUSDHPIZGRHXKQ-FDDCHVKYSA-N 1 0 393.531 4.204 20 0 GIADRO COc1ccc([C@H](C)[NH2+]C[C@H](C2CC2)N(C)Cc2ccccc2)cc1NC(C)=O ZINC000186880826 822973894 /nfs/dbraw/zinc/97/38/94/822973894.db2.gz ZYCPXEADCKHSNI-GAJHUEQPSA-N 1 0 395.547 4.215 20 0 GIADRO OCC1([C@H]([NH2+]Cc2ccc(-c3cccc(F)c3)s2)C2CC2)CCOCC1 ZINC000569834356 822974207 /nfs/dbraw/zinc/97/42/07/822974207.db2.gz SCEUPUPTLDAZIA-HXUWFJFHSA-N 1 0 375.509 4.212 20 0 GIADRO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)N1CC(c2cccc(Cl)c2)C1 ZINC000458267600 822975714 /nfs/dbraw/zinc/97/57/14/822975714.db2.gz PSTLUIVLHPFTCR-LJQANCHMSA-N 1 0 397.950 4.013 20 0 GIADRO CCc1onc(-c2ccccc2)c1C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000458266533 822975779 /nfs/dbraw/zinc/97/57/79/822975779.db2.gz CCZWIZNMIMCVRY-UHFFFAOYSA-N 1 0 397.450 4.236 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000186895933 822976170 /nfs/dbraw/zinc/97/61/70/822976170.db2.gz NIYVKQCEJOTDHZ-UHFFFAOYSA-N 1 0 397.519 4.246 20 0 GIADRO Cc1cnc(C(C)(C)NC(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)s1 ZINC000175467432 822976233 /nfs/dbraw/zinc/97/62/33/822976233.db2.gz JCKSAIYHLKKOJD-GOSISDBHSA-N 1 0 386.565 4.131 20 0 GIADRO CSCc1cccc(CNC(=O)NC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000186899859 822976719 /nfs/dbraw/zinc/97/67/19/822976719.db2.gz LVTWWSJBCRRPAY-UHFFFAOYSA-N 1 0 375.582 4.146 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1ccc(OC2CCC2)c(F)c1)c1cccs1 ZINC000175471657 822976968 /nfs/dbraw/zinc/97/69/68/822976968.db2.gz BIYWKJCZPGBCOZ-MRXNPFEDSA-N 1 0 377.485 4.243 20 0 GIADRO Cc1cc(NC(=O)Cc2cc(F)ccc2Br)ccc1C[NH+](C)C ZINC000458277126 822977098 /nfs/dbraw/zinc/97/70/98/822977098.db2.gz IETGGWQABVMNIQ-UHFFFAOYSA-N 1 0 379.273 4.139 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1)C(=O)NC(=O)Nc1ccccc1F ZINC000569859379 822977168 /nfs/dbraw/zinc/97/71/68/822977168.db2.gz DUMADVOWHHMJRC-RYUDHWBXSA-N 1 0 397.372 4.232 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)CCC(=O)c2ccc(Cl)cc2)cc1F ZINC000458280865 822977627 /nfs/dbraw/zinc/97/76/27/822977627.db2.gz AAJOSKIZEAPXAK-UHFFFAOYSA-N 1 0 392.858 4.021 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@H](c1cccnc1)C(C)C ZINC000175478954 822978586 /nfs/dbraw/zinc/97/85/86/822978586.db2.gz UWXIDONULVPEPH-QFIPXVFZSA-N 1 0 382.552 4.115 20 0 GIADRO CC(C)(NC(=O)NC1CC[NH+](C2CCC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000458293922 822979796 /nfs/dbraw/zinc/97/97/96/822979796.db2.gz YXZWOTOZVUNSEL-UHFFFAOYSA-N 1 0 383.458 4.257 20 0 GIADRO Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000186917196 822979879 /nfs/dbraw/zinc/97/98/79/822979879.db2.gz SCVQZCXHYCREDI-JXFKEZNVSA-N 1 0 396.922 4.255 20 0 GIADRO O=C(Nc1ccc(OC2CCC2)c(F)c1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000175484738 822980244 /nfs/dbraw/zinc/98/02/44/822980244.db2.gz WFWGBARFECJGOI-UHFFFAOYSA-N 1 0 375.488 4.239 20 0 GIADRO CC(C)[C@H](C)C(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000569894840 822982142 /nfs/dbraw/zinc/98/21/42/822982142.db2.gz CCQXLRORTWULBY-HNNXBMFYSA-N 1 0 381.358 4.164 20 0 GIADRO O=C(Nc1ccnc(Sc2ccccn2)c1)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000569909053 822984640 /nfs/dbraw/zinc/98/46/40/822984640.db2.gz GJWPGRTZCLKWOT-WMZOPIPTSA-N 1 0 397.548 4.014 20 0 GIADRO C[C@@H]([NH2+]CCCn1cnc2ccccc21)c1ncc(Br)cc1F ZINC000186947084 822984735 /nfs/dbraw/zinc/98/47/35/822984735.db2.gz MIWORVFUXXRSGT-GFCCVEGCSA-N 1 0 377.261 4.074 20 0 GIADRO C(=C/[C@@H]1CCCCC[N@H+]1Cc1cnc(N2CCOCC2)s1)\c1ccccc1 ZINC000569914153 822985090 /nfs/dbraw/zinc/98/50/90/822985090.db2.gz SMJAOBPQMNOXHC-CFGKVWFZSA-N 1 0 383.561 4.438 20 0 GIADRO C[C@@H]1C[C@H](Nc2ccc(F)c(N3CCCNC3=O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000569916511 822985520 /nfs/dbraw/zinc/98/55/20/822985520.db2.gz MDVNNQXBYHPJIY-YLJYHZDGSA-N 1 0 396.510 4.210 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCc3c2cc(F)cc3F)[C@@H]1c1cccs1 ZINC000175505944 822985552 /nfs/dbraw/zinc/98/55/52/822985552.db2.gz WFBLYVZZVBEIBG-BFUOFWGJSA-N 1 0 391.487 4.182 20 0 GIADRO Cn1c2ccccc2nc1[C@H]1CCCN1C(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000569923199 822986072 /nfs/dbraw/zinc/98/60/72/822986072.db2.gz GKOPECSGOSVVML-WIYYLYMNSA-N 1 0 382.552 4.315 20 0 GIADRO CN(C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)[C@@H]1CCc2ccccc21 ZINC000175508397 822986330 /nfs/dbraw/zinc/98/63/30/822986330.db2.gz OMVANCYIOZUGFF-YFVAEKQCSA-N 1 0 383.561 4.460 20 0 GIADRO O=C(c1cccc(Oc2cccc(C(F)(F)F)c2)c1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000569928206 822986869 /nfs/dbraw/zinc/98/68/69/822986869.db2.gz DILNQOMYKYZDPC-HOTGVXAUSA-N 1 0 390.405 4.179 20 0 GIADRO C[C@H]1C[C@H]([N@H+](C)Cc2ccc3c(c2)CCC(=O)N3C)CCN1Cc1ccccc1 ZINC000186961698 822987745 /nfs/dbraw/zinc/98/77/45/822987745.db2.gz ZYFMEYLYFTUYDT-WMZHIEFXSA-N 1 0 391.559 4.081 20 0 GIADRO C[N@@H+]1CCN(CC(=O)Nc2ccccc2Oc2ccccc2)CC12CCCCC2 ZINC000569937746 822987782 /nfs/dbraw/zinc/98/77/82/822987782.db2.gz NEEFWMCLRBVGIH-UHFFFAOYSA-N 1 0 393.531 4.368 20 0 GIADRO CCc1nc([C@@H](C)NC(=O)NC[C@H](c2ccc(SC)cc2)[NH+](C)C)cs1 ZINC000458370307 822988012 /nfs/dbraw/zinc/98/80/12/822988012.db2.gz OXJULDYJTPVHSR-CXAGYDPISA-N 1 0 392.594 4.091 20 0 GIADRO Cc1nc(-c2ccccc2)ncc1C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000569943434 822988385 /nfs/dbraw/zinc/98/83/85/822988385.db2.gz BTNPFARKANSSEO-HXUWFJFHSA-N 1 0 394.906 4.138 20 0 GIADRO CN(CCc1cccs1)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000175515486 822988488 /nfs/dbraw/zinc/98/84/88/822988488.db2.gz KPICEVXTPYOUES-CRAIPNDOSA-N 1 0 377.579 4.077 20 0 GIADRO CCS[C@@H]1CCC[C@H](NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000175515448 822988573 /nfs/dbraw/zinc/98/85/73/822988573.db2.gz QXPAIASEMJTJCG-VQTJNVASSA-N 1 0 375.582 4.015 20 0 GIADRO C[C@@H](NCc1cccc(C[NH+]2CCCC2)c1)c1ncc(Br)cc1F ZINC000186965991 822988874 /nfs/dbraw/zinc/98/88/74/822988874.db2.gz HWWZFORTWYILPJ-CQSZACIVSA-N 1 0 392.316 4.430 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@H](c3ccccc3)C2)[C@@H]1c1cccs1 ZINC000175519522 822989841 /nfs/dbraw/zinc/98/98/41/822989841.db2.gz WXEFRJPJVGOHDA-SVFBPWRDSA-N 1 0 383.561 4.330 20 0 GIADRO O=C(NC[C@H](c1ccccc1)C(F)(F)F)NC1CC[NH+](C2CCCC2)CC1 ZINC000186973159 822990223 /nfs/dbraw/zinc/99/02/23/822990223.db2.gz GDZJUGAPUFBSGL-GOSISDBHSA-N 1 0 383.458 4.039 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc(OC(C)(C)C)cc1 ZINC000175531161 822991928 /nfs/dbraw/zinc/99/19/28/822991928.db2.gz SLVFVQPFXPDIKD-UHFFFAOYSA-N 1 0 381.520 4.176 20 0 GIADRO CN(C(=O)NC1CC[NH+](C)CC1)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000175532564 822992371 /nfs/dbraw/zinc/99/23/71/822992371.db2.gz KJAXKWNNSGWNKW-FQEVSTJZSA-N 1 0 389.902 4.304 20 0 GIADRO O=C(c1ccsc1)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000175534001 822992571 /nfs/dbraw/zinc/99/25/71/822992571.db2.gz MZQYOWFVOHYWMX-INIZCTEOSA-N 1 0 382.451 4.275 20 0 GIADRO Cc1cccc2nc(C3CCN(C(=O)NCC[NH+](C(C)C)C(C)C)CC3)oc21 ZINC000186988626 822993119 /nfs/dbraw/zinc/99/31/19/822993119.db2.gz BYZKPUQPBKXPHC-UHFFFAOYSA-N 1 0 386.540 4.144 20 0 GIADRO CC(C)C[C@H]([NH2+][C@H](C)c1cncc(Br)c1)C(=O)Nc1nccs1 ZINC000569988145 822993800 /nfs/dbraw/zinc/99/38/00/822993800.db2.gz FGPPOQMNDMBJFU-RISCZKNCSA-N 1 0 397.342 4.005 20 0 GIADRO C[NH+]1CCC(N(Cc2cncs2)Cc2ccccc2Br)CC1 ZINC000570015421 822997284 /nfs/dbraw/zinc/99/72/84/822997284.db2.gz PTSNACQWGAMGLH-UHFFFAOYSA-N 1 0 380.355 4.002 20 0 GIADRO O=C(c1ccccc1O)N1CCC([NH2+]Cc2ccc(C3CCCC3)cc2)CC1 ZINC000570017774 822997487 /nfs/dbraw/zinc/99/74/87/822997487.db2.gz FSBVEKQVIALQRZ-UHFFFAOYSA-N 1 0 378.516 4.444 20 0 GIADRO CCOCCC[N@@H+]1CC[C@H](NCc2cc3ccccc3nc2Cl)[C@H](C)C1 ZINC000187015278 822997971 /nfs/dbraw/zinc/99/79/71/822997971.db2.gz BYBZTFDOSRDMTC-APWZRJJASA-N 1 0 375.944 4.115 20 0 GIADRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)CCc1c2ccccc2[nH]c1-c1ccc(F)cc1 ZINC000570021978 822998136 /nfs/dbraw/zinc/99/81/36/822998136.db2.gz FSTDMDIDZVENDH-CRAIPNDOSA-N 1 0 379.479 4.245 20 0 GIADRO CC(C)OCC[NH+]1CCC(NC(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000175570222 822999680 /nfs/dbraw/zinc/99/96/80/822999680.db2.gz RFONZBOGFKVCDN-UHFFFAOYSA-N 1 0 381.520 4.365 20 0 GIADRO CCC[NH+]1CCN(c2ccc(NC(=O)c3ccc[nH]c3=S)cc2Cl)CC1 ZINC000055695562 823000071 /nfs/dbraw/zinc/00/00/71/823000071.db2.gz KXWCETUVVICMSJ-UHFFFAOYSA-N 1 0 390.940 4.182 20 0 GIADRO Cc1cc(C(=O)Nc2cccc3c2C[N@H+](CC(C)C)C3)nc(C(F)(F)F)n1 ZINC000187028538 823000350 /nfs/dbraw/zinc/00/03/50/823000350.db2.gz ONSCDDWBVRDPFG-UHFFFAOYSA-N 1 0 378.398 4.028 20 0 GIADRO CCCN(Cc1c(F)cccc1Cl)C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000570064222 823002192 /nfs/dbraw/zinc/00/21/92/823002192.db2.gz DPRPUPYUSURIEI-CQSZACIVSA-N 1 0 390.890 4.134 20 0 GIADRO OC[C@@H](C[NH2+][C@@H]1CCCOc2ccccc21)Cc1ccccc1C(F)(F)F ZINC000570066769 823002648 /nfs/dbraw/zinc/00/26/48/823002648.db2.gz AJKIKNYXOKRICV-DNVCBOLYSA-N 1 0 379.422 4.360 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@@H](C)c1cccc(-n2ccnn2)c1 ZINC000570069162 823002879 /nfs/dbraw/zinc/00/28/79/823002879.db2.gz RQVHGTARIFBSKI-STQMWFEESA-N 1 0 392.429 4.055 20 0 GIADRO C[C@H]([NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1)c1ncc(Br)cc1F ZINC000187057322 823004879 /nfs/dbraw/zinc/00/48/79/823004879.db2.gz JTGUGGFEONSIDP-QWHCGFSZSA-N 1 0 396.279 4.299 20 0 GIADRO O=C(c1ccc2c(c1)C[NH2+]C2)N1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000570089280 823004945 /nfs/dbraw/zinc/00/49/45/823004945.db2.gz AVOWMOYMDXMPRX-NRFANRHFSA-N 1 0 390.462 4.186 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)c2ccccc2CSc2nc3ccccc3[nH]2)CC[N@@H+]1C ZINC000570094467 823005392 /nfs/dbraw/zinc/00/53/92/823005392.db2.gz AFQRQPWZJQKIGH-WBVHZDCISA-N 1 0 394.544 4.068 20 0 GIADRO CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+][C@H]2CCCc3c4ccccc4sc32)cn1 ZINC000570109822 823006363 /nfs/dbraw/zinc/00/63/63/823006363.db2.gz QGIJVEDMZZCXMV-LQWHRVPQSA-N 1 0 394.544 4.105 20 0 GIADRO C[C@H]([NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1)C1CCSCC1 ZINC000187073107 823006843 /nfs/dbraw/zinc/00/68/43/823006843.db2.gz VZJQGVYASUYRJA-GJZGRUSLSA-N 1 0 383.399 4.397 20 0 GIADRO COCCOc1ccc(NC(=O)N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)c(C)c1 ZINC000570115366 823007062 /nfs/dbraw/zinc/00/70/62/823007062.db2.gz BJZMKBUINTWEQF-AVRDEDQJSA-N 1 0 399.535 4.142 20 0 GIADRO COc1ccc([C@@H](CNC(=O)N([C@@H](C)c2ccco2)C2CC2)[NH+]2CCCC2)cc1 ZINC000175620393 823007956 /nfs/dbraw/zinc/00/79/56/823007956.db2.gz JNNRHZDQFQANCD-LAUBAEHRSA-N 1 0 397.519 4.360 20 0 GIADRO C[C@H]([NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccc1)C1CCS(=O)(=O)CC1 ZINC000187093007 823009695 /nfs/dbraw/zinc/00/96/95/823009695.db2.gz UBEHDMPCRZNKHF-KKSFZXQISA-N 1 0 391.964 4.427 20 0 GIADRO C[C@H]1C[C@H](NC(=O)N(C)CCc2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000175631400 823009822 /nfs/dbraw/zinc/00/98/22/823009822.db2.gz TWVWHXJEWCMMDV-PGRDOPGGSA-N 1 0 383.511 4.063 20 0 GIADRO C[C@H]([NH2+][C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1)c1ccc(-n2cnnn2)cc1 ZINC000570150711 823010453 /nfs/dbraw/zinc/01/04/53/823010453.db2.gz DXIBIQCRQNEGBJ-OWQGQXMQSA-N 1 0 387.409 4.278 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000187099925 823010465 /nfs/dbraw/zinc/01/04/65/823010465.db2.gz DHALPTGTQJNEQF-QGZVFWFLSA-N 1 0 385.471 4.189 20 0 GIADRO CC[N@H+](C[C@@H](O)c1ccc(F)cc1Cl)CC1CCN(c2ccccn2)CC1 ZINC000187101579 823010670 /nfs/dbraw/zinc/01/06/70/823010670.db2.gz MTOZSSVNXGBLSW-HXUWFJFHSA-N 1 0 391.918 4.146 20 0 GIADRO Cc1cc(Br)cc([C@@H](C)[NH2+]C2CCN(C(=O)CC(C)C)CC2)c1O ZINC000187105110 823011111 /nfs/dbraw/zinc/01/11/11/823011111.db2.gz MDZGIIARRPAQEV-CQSZACIVSA-N 1 0 397.357 4.151 20 0 GIADRO COc1ccc(Br)c(C[NH2+][C@H]2CCC[C@H](c3ccnn3C)C2)c1 ZINC000570154539 823011155 /nfs/dbraw/zinc/01/11/55/823011155.db2.gz DCKJDZAPSCTOPQ-ZFWWWQNUSA-N 1 0 378.314 4.007 20 0 GIADRO COc1c(Br)cccc1C[NH2+]Cc1ccc(NC(=O)C(C)C)cc1 ZINC000187106574 823011283 /nfs/dbraw/zinc/01/12/83/823011283.db2.gz SOEYGYHKJZBPDJ-UHFFFAOYSA-N 1 0 391.309 4.342 20 0 GIADRO CC(C)(C(=O)Nc1ncc(C2CC[NH2+]CC2)s1)c1ccc(Cl)cc1F ZINC000570199236 823014650 /nfs/dbraw/zinc/01/46/50/823014650.db2.gz USLVPMTZRJDZKI-UHFFFAOYSA-N 1 0 381.904 4.319 20 0 GIADRO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000570204510 823014967 /nfs/dbraw/zinc/01/49/67/823014967.db2.gz GXUSBNXRSLEVDP-VQIMIIECSA-N 1 0 383.923 4.112 20 0 GIADRO COc1c(Br)cccc1C[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000187129556 823015051 /nfs/dbraw/zinc/01/50/51/823015051.db2.gz JAEHRGKLONRWKT-UHFFFAOYSA-N 1 0 390.325 4.133 20 0 GIADRO O=C(N[C@@H]1CCC[C@@H](c2nc3ccccc3[nH]2)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000570216379 823015942 /nfs/dbraw/zinc/01/59/42/823015942.db2.gz PYCOSVSAWHGRPT-LZJOCLMNSA-N 1 0 380.536 4.112 20 0 GIADRO COc1cc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)ccc1F ZINC000187137270 823016174 /nfs/dbraw/zinc/01/61/74/823016174.db2.gz YGEAHJFYKYPKTM-WIYYLYMNSA-N 1 0 397.494 4.353 20 0 GIADRO C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+][C@@H](C)C1CCSCC1 ZINC000187138870 823016543 /nfs/dbraw/zinc/01/65/43/823016543.db2.gz AUKBNQOKVDQNQZ-IRXDYDNUSA-N 1 0 375.582 4.125 20 0 GIADRO Cc1cc(Br)cc([C@H](C)[NH2+]CCCc2nc(C(C)C)no2)c1O ZINC000187147425 823017531 /nfs/dbraw/zinc/01/75/31/823017531.db2.gz HNISFHXVGUXQPR-LBPRGKRZSA-N 1 0 382.302 4.253 20 0 GIADRO C[C@@H]1[C@H](NC(=O)N2CCC[C@H](C(F)(F)F)[C@H]2C)CC[N@@H+]1Cc1ccccc1 ZINC000570238012 823017701 /nfs/dbraw/zinc/01/77/01/823017701.db2.gz PQKKZNSXVYJKBV-XYVMCAHJSA-N 1 0 383.458 4.022 20 0 GIADRO CCCCCOc1ccc(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000175675175 823017935 /nfs/dbraw/zinc/01/79/35/823017935.db2.gz FJNZFENZHGBEFE-UHFFFAOYSA-N 1 0 381.520 4.045 20 0 GIADRO CCS(=O)(=O)c1c(Cl)cccc1CNc1cc(C[NH+](C)C)ccc1C ZINC000187157816 823018931 /nfs/dbraw/zinc/01/89/31/823018931.db2.gz RQGGFHOUJHHSTO-UHFFFAOYSA-N 1 0 380.941 4.116 20 0 GIADRO C[C@H](NC(=O)c1ccccc1OCC[NH+](C)C)c1ccc(-c2cccnc2)cc1 ZINC000175680874 823019085 /nfs/dbraw/zinc/01/90/85/823019085.db2.gz FHUVVADQAPLSQI-SFHVURJKSA-N 1 0 389.499 4.180 20 0 GIADRO COCCCN(C(=O)CCCc1csc2ccccc12)C1CC[NH+](C)CC1 ZINC000570254727 823019961 /nfs/dbraw/zinc/01/99/61/823019961.db2.gz RTVPFVAIRIDFCO-UHFFFAOYSA-N 1 0 388.577 4.183 20 0 GIADRO COC(=O)c1ccc(COc2ccc(C[NH2+][C@H]3CCC[C@H](F)C3)cc2OC)o1 ZINC000570281130 823022055 /nfs/dbraw/zinc/02/20/55/823022055.db2.gz XEEYUVYWWRADHR-HOTGVXAUSA-N 1 0 391.439 4.024 20 0 GIADRO COc1ccc2cc([C@H](C)[NH2+]C[C@@H]3CS(=O)(=O)c4ccccc43)ccc2c1 ZINC000570283943 823022329 /nfs/dbraw/zinc/02/23/29/823022329.db2.gz SHBFAHXVYNDXEI-HNAYVOBHSA-N 1 0 381.497 4.070 20 0 GIADRO C[C@@H](NC[C@H](C)[N@H+](C)Cc1ccccc1)c1ncc(Br)cc1F ZINC000187191008 823022942 /nfs/dbraw/zinc/02/29/42/823022942.db2.gz AIQWUVILXGGJFR-UONOGXRCSA-N 1 0 380.305 4.154 20 0 GIADRO C[C@H](CN[C@H](C)c1ncc(Br)cc1F)[N@H+](C)Cc1ccccc1 ZINC000187191026 823022967 /nfs/dbraw/zinc/02/29/67/823022967.db2.gz AIQWUVILXGGJFR-ZIAGYGMSSA-N 1 0 380.305 4.154 20 0 GIADRO CC(C)CC(=O)Nc1ccc(C(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc1F ZINC000187200627 823024154 /nfs/dbraw/zinc/02/41/54/823024154.db2.gz WYKQBLWNJHYBSQ-ZHRRBRCNSA-N 1 0 399.510 4.232 20 0 GIADRO CCN(Cc1ccc(S(C)(=O)=O)cc1)Cc1cccc(-c2ccncc2)c1 ZINC000570319292 823025508 /nfs/dbraw/zinc/02/55/08/823025508.db2.gz PUXKGFKRZKWHPS-UHFFFAOYSA-N 1 0 380.513 4.174 20 0 GIADRO COc1cc(Br)ccc1C[NH2+]C[C@@]1(C)OCCc2sccc21 ZINC000570322458 823025758 /nfs/dbraw/zinc/02/57/58/823025758.db2.gz BGEYBKVHHNKEAN-QGZVFWFLSA-N 1 0 382.323 4.097 20 0 GIADRO COc1cc(-c2noc(/C(C)=C/c3ccc(F)cc3)n2)ccc1OCC[NH+](C)C ZINC000570326345 823026142 /nfs/dbraw/zinc/02/61/42/823026142.db2.gz QZFRYBVUPHRTOY-FYWRMAATSA-N 1 0 397.450 4.385 20 0 GIADRO CC(C)Oc1ccc([C@H](O)C[NH2+][C@H](C)c2ncc(Br)cc2F)cc1 ZINC000187215782 823026214 /nfs/dbraw/zinc/02/62/14/823026214.db2.gz VLQFFMHHPGLILX-SJKOYZFVSA-N 1 0 397.288 4.155 20 0 GIADRO COCC1(CC(=O)Nc2ccc(C[N@H+](C[C@@H]3CCCCO3)C(C)C)cc2)CC1 ZINC000570332743 823026483 /nfs/dbraw/zinc/02/64/83/823026483.db2.gz SBQZCFPTRGDIIQ-NRFANRHFSA-N 1 0 388.552 4.221 20 0 GIADRO Cc1ccc(Br)c(C(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000187218298 823026555 /nfs/dbraw/zinc/02/65/55/823026555.db2.gz HXECHXDIRLSRAZ-KSSFIOAISA-N 1 0 375.310 4.179 20 0 GIADRO CN1CC[C@H]([NH2+]Cc2nccn2Cc2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000570340540 823027057 /nfs/dbraw/zinc/02/70/57/823027057.db2.gz UMPNZAQYTZXKFM-RBBKRZOGSA-N 1 0 398.913 4.259 20 0 GIADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)Nc1ccccc1-c1cc(F)c(F)c(F)c1 ZINC000570349125 823027724 /nfs/dbraw/zinc/02/77/24/823027724.db2.gz DSOTZYRGNCMPCT-CYBMUJFWSA-N 1 0 377.410 4.329 20 0 GIADRO CC1(C)CC[C@H](C[NH+]2CCC(C(=O)Nc3ccccc3Br)CC2)O1 ZINC000187232803 823028537 /nfs/dbraw/zinc/02/85/37/823028537.db2.gz YVIWVDVBTUGVKO-OAHLLOKOSA-N 1 0 395.341 4.057 20 0 GIADRO COc1cccc(OC)c1OCCCC[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000570360923 823028912 /nfs/dbraw/zinc/02/89/12/823028912.db2.gz DOCYSJVBCGNUMW-UHFFFAOYSA-N 1 0 383.488 4.358 20 0 GIADRO CCCc1cccc(C[NH2+]C2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)c1 ZINC000187249859 823030480 /nfs/dbraw/zinc/03/04/80/823030480.db2.gz UCLJLXLNWSAEGO-UHFFFAOYSA-N 1 0 396.531 4.051 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(C)[C@H]1c1ccccc1)C(=O)Nc1cccc(Cl)c1Cl ZINC000570384070 823031891 /nfs/dbraw/zinc/03/18/91/823031891.db2.gz XIWGWPAIMUMKKD-IRWQIABSSA-N 1 0 392.330 4.355 20 0 GIADRO COc1ccc(C(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)cc1-c1ccccn1 ZINC000187260613 823032232 /nfs/dbraw/zinc/03/22/32/823032232.db2.gz JGCCYSXZHFIWPD-UZUQRXQVSA-N 1 0 389.499 4.178 20 0 GIADRO CC(C)[C@@H](C(=O)NCc1ccc(Oc2ccccc2C(F)(F)F)nc1)[C@@H](C)[NH3+] ZINC000570393882 823032641 /nfs/dbraw/zinc/03/26/41/823032641.db2.gz RZTMNUULVXNOOA-FZKQIMNGSA-N 1 0 395.425 4.128 20 0 GIADRO Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000175757909 823032903 /nfs/dbraw/zinc/03/29/03/823032903.db2.gz NOPWWMRYMUMTLD-TZIWHRDSSA-N 1 0 387.568 4.025 20 0 GIADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)[C@@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000458374489 823033801 /nfs/dbraw/zinc/03/38/01/823033801.db2.gz JMNVGXFXUPUKGP-UYAOXDASSA-N 1 0 397.567 4.041 20 0 GIADRO CCC(CC)(CNC(=O)N1CC[C@@H](O)CC(C)(C)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000458377166 823034088 /nfs/dbraw/zinc/03/40/88/823034088.db2.gz QXRZQGIRPVUKPV-AZUAARDMSA-N 1 0 389.584 4.089 20 0 GIADRO C[C@@H](NC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)c1cccc(O)c1 ZINC000187272902 823034718 /nfs/dbraw/zinc/03/47/18/823034718.db2.gz OEFBBLPHXJFYGG-ACJLOTCBSA-N 1 0 395.425 4.074 20 0 GIADRO O[C@H](C[NH2+]C1(c2nccs2)CCCC1)c1ccc(F)c(Br)c1 ZINC000187274340 823035046 /nfs/dbraw/zinc/03/50/46/823035046.db2.gz JFJUOKGNBWXFDM-CQSZACIVSA-N 1 0 385.302 4.137 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@@H](C)CCCc2cccnc2)CC1 ZINC000458396211 823036369 /nfs/dbraw/zinc/03/63/69/823036369.db2.gz CWZWOGZIOQQRDS-VQTJNVASSA-N 1 0 394.563 4.318 20 0 GIADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccc(C2SCCS2)cc1 ZINC000055749307 823036636 /nfs/dbraw/zinc/03/66/36/823036636.db2.gz JFQLTTPWGMLPLC-BZUAXINKSA-N 1 0 378.607 4.261 20 0 GIADRO CSc1ccc([C@@H](CNC(=O)NCc2ccc3ccccc3n2)[NH+](C)C)cc1 ZINC000458400504 823036881 /nfs/dbraw/zinc/03/68/81/823036881.db2.gz GWTSZHQDUAGXRZ-OAQYLSRUSA-N 1 0 394.544 4.059 20 0 GIADRO C[C@H]([NH2+]Cc1ccc2c(c1)CCC(=O)N2C)c1cccc(OC(F)(F)F)c1 ZINC000187288154 823037336 /nfs/dbraw/zinc/03/73/36/823037336.db2.gz LYFSXAYZJMNABK-ZDUSSCGKSA-N 1 0 378.394 4.345 20 0 GIADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccccc1SCc1cscn1 ZINC000570432986 823037534 /nfs/dbraw/zinc/03/75/34/823037534.db2.gz OXWRHQWEERTBLF-RDJZCZTQSA-N 1 0 387.574 4.134 20 0 GIADRO C[C@@H]1CCC[C@H](CCNC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000458424615 823038718 /nfs/dbraw/zinc/03/87/18/823038718.db2.gz VFKHEAKWOQMJJW-HZPDHXFCSA-N 1 0 377.495 4.261 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH2+]C[C@@H](C[C@@H](C)O)c1ccccc1 ZINC000187297049 823038857 /nfs/dbraw/zinc/03/88/57/823038857.db2.gz JJSGYFSALOMAMS-XMSQKQJNSA-N 1 0 376.500 4.402 20 0 GIADRO COc1ccc(-c2ccncc2)cc1C[NH2+]C[C@H](C[C@@H](C)O)c1ccccc1 ZINC000187297011 823038898 /nfs/dbraw/zinc/03/88/98/823038898.db2.gz JJSGYFSALOMAMS-GCJKJVERSA-N 1 0 376.500 4.402 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)CC[N@@H+]1C ZINC000187299638 823039485 /nfs/dbraw/zinc/03/94/85/823039485.db2.gz IOIMLIILQAQJEZ-KGLIPLIRSA-N 1 0 396.409 4.400 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)N2CC(C)(C)[C@@H]2c2ccncc2)[C@@H]1c1cccs1 ZINC000458436833 823040236 /nfs/dbraw/zinc/04/02/36/823040236.db2.gz RNNKXLOYFGGVKN-RLLQIKCJSA-N 1 0 398.576 4.319 20 0 GIADRO Cc1ccccc1CCN(C)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000458440102 823040776 /nfs/dbraw/zinc/04/07/76/823040776.db2.gz USMKYCXGMCFWFO-FPOVZHCZSA-N 1 0 385.577 4.324 20 0 GIADRO Cc1nnc(CC[NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)s1 ZINC000570458492 823040859 /nfs/dbraw/zinc/04/08/59/823040859.db2.gz QSVWAMIVBAFOOR-UHFFFAOYSA-N 1 0 389.528 4.091 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2C[C@H]2c2ccccc2F)[C@@H]1c1cccs1 ZINC000458443098 823040968 /nfs/dbraw/zinc/04/09/68/823040968.db2.gz WZGJYBWZHDMIOY-IHMNZUQTSA-N 1 0 387.524 4.125 20 0 GIADRO CCO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)N(c1nccs1)C1CCCCC1 ZINC000570481002 823043735 /nfs/dbraw/zinc/04/37/35/823043735.db2.gz OGLPCFAPJICAFZ-KBAYOESNSA-N 1 0 379.570 4.135 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1c(F)cccc1Br ZINC000175804020 823044377 /nfs/dbraw/zinc/04/43/77/823044377.db2.gz JMJFQSMBZVUWOY-UHFFFAOYSA-N 1 0 391.284 4.114 20 0 GIADRO O=C1CCC(C[NH+]2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)CC1 ZINC000570485274 823044503 /nfs/dbraw/zinc/04/45/03/823044503.db2.gz VAVGIYJLKBCATP-UHFFFAOYSA-N 1 0 398.497 4.431 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)c2c(F)c(F)cc(F)c2F)[C@@H]1c1cccs1 ZINC000177889256 823541912 /nfs/dbraw/zinc/54/19/12/823541912.db2.gz GUNVJFABCSBWQJ-BMLIUANNSA-N 1 0 386.414 4.117 20 0 GIADRO C[C@H](c1ccccc1)[N@H+](C)CC(=O)N(C)Cc1ccccc1Br ZINC000060559074 823542079 /nfs/dbraw/zinc/54/20/79/823542079.db2.gz ICWQBAQKXNCPDP-OAHLLOKOSA-N 1 0 375.310 4.101 20 0 GIADRO CC(C)(C)[N@@H+]1CCCN(C(=O)NCc2cccc(COc3ccccc3)c2)CC1 ZINC000060558103 823542145 /nfs/dbraw/zinc/54/21/45/823542145.db2.gz IVTCRBTYKMINBS-UHFFFAOYSA-N 1 0 395.547 4.281 20 0 GIADRO Cc1ccc([C@H](CNC(=O)c2ncoc2-c2ccccc2Cl)[NH+](C)C)cc1 ZINC000460919618 823542284 /nfs/dbraw/zinc/54/22/84/823542284.db2.gz CAKMIRBWNVTUEM-SFHVURJKSA-N 1 0 383.879 4.336 20 0 GIADRO CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)C[N@H+](C[C@@H]2CCOC2)C2CC2)cc1 ZINC000123814664 823542792 /nfs/dbraw/zinc/54/27/92/823542792.db2.gz JTROFDJDLCOGOU-AVRDEDQJSA-N 1 0 384.564 4.149 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C1(c2cccc(Br)c2)CC1 ZINC000060566118 823542966 /nfs/dbraw/zinc/54/29/66/823542966.db2.gz ZOWMMAWZWDIYJU-INIZCTEOSA-N 1 0 393.369 4.252 20 0 GIADRO O=C(CCCc1ncc(-c2ccccc2)o1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000060578897 823544294 /nfs/dbraw/zinc/54/42/94/823544294.db2.gz LRKYYUBDLQOPIW-UHFFFAOYSA-N 1 0 395.547 4.389 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@H](C)Cc2ccccc2C)ccc1S(=O)(=O)C(F)F ZINC000177907216 823544674 /nfs/dbraw/zinc/54/46/74/823544674.db2.gz PTTCLFJDNKDNGY-CABCVRRESA-N 1 0 397.487 4.282 20 0 GIADRO Brc1ccc2c(c1)[C@H]([NH2+]Cc1cccnc1-n1ccnc1)CCCO2 ZINC000177908656 823544987 /nfs/dbraw/zinc/54/49/87/823544987.db2.gz LMMBHHLXNYHKNB-QGZVFWFLSA-N 1 0 399.292 4.033 20 0 GIADRO O=C([C@H]1CCSc2ccccc21)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000460934845 823545761 /nfs/dbraw/zinc/54/57/61/823545761.db2.gz OPEBXLCYJJQKIE-QFIPXVFZSA-N 1 0 392.568 4.315 20 0 GIADRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)[C@H]1CCSc2ccccc21 ZINC000460936896 823546426 /nfs/dbraw/zinc/54/64/26/823546426.db2.gz ZXUFMMBHKLYGPD-IBGZPJMESA-N 1 0 386.586 4.356 20 0 GIADRO C[C@H]1C[C@@H](C(=O)N(CCC[NH+]2CCCC2)c2ccc(Cl)cc2)CCC1=O ZINC000411103948 823546719 /nfs/dbraw/zinc/54/67/19/823546719.db2.gz RMBBKMRHQPHEPE-IRXDYDNUSA-N 1 0 376.928 4.164 20 0 GIADRO CC(C)[NH+](CCNC(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21)C(C)C ZINC000060603130 823547192 /nfs/dbraw/zinc/54/71/92/823547192.db2.gz VJGBVNKJAZAMDP-SFHVURJKSA-N 1 0 383.483 4.083 20 0 GIADRO C[C@@H]1CC(C(=O)N(CCC[NH+]2CCCC2)c2ccc(Cl)cc2)C[C@@H](C)O1 ZINC000411105728 823547238 /nfs/dbraw/zinc/54/72/38/823547238.db2.gz YIHZJBUTQDPDMT-IAGOWNOFSA-N 1 0 378.944 4.363 20 0 GIADRO CCSc1cccc(NC(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000190193119 823549089 /nfs/dbraw/zinc/54/90/89/823549089.db2.gz KEXYMMZUTXCJEA-UHFFFAOYSA-N 1 0 391.581 4.155 20 0 GIADRO COc1cccc(C2(CNC(=O)NC3CCC([NH+]4CCC(C)CC4)CC3)CC2)c1 ZINC000460951386 823549322 /nfs/dbraw/zinc/54/93/22/823549322.db2.gz WJXMTSSSZFMSFR-UHFFFAOYSA-N 1 0 399.579 4.069 20 0 GIADRO CC[NH2+]Cc1cccc(NC(=O)CCOc2ccc(Br)cc2F)c1 ZINC000123889738 823549389 /nfs/dbraw/zinc/54/93/89/823549389.db2.gz GZAVOFMTBGHWFI-UHFFFAOYSA-N 1 0 395.272 4.105 20 0 GIADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000460952033 823549549 /nfs/dbraw/zinc/54/95/49/823549549.db2.gz ACVWRAQKZIZPDM-CVEARBPZSA-N 1 0 382.470 4.364 20 0 GIADRO CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000190197856 823549850 /nfs/dbraw/zinc/54/98/50/823549850.db2.gz BWGXEHFKJDKLAY-IBGZPJMESA-N 1 0 380.536 4.327 20 0 GIADRO CCN(C(=O)C(=O)Nc1cccc2c1C[N@@H+]([C@H](C)C(C)C)C2)C1CCCCC1 ZINC000190198562 823550060 /nfs/dbraw/zinc/55/00/60/823550060.db2.gz RPPUQEIOFCRRSM-QGZVFWFLSA-N 1 0 385.552 4.166 20 0 GIADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ncoc1-c1ccccc1Cl ZINC000460956028 823550180 /nfs/dbraw/zinc/55/01/80/823550180.db2.gz GKKWQEKNIITOCA-KFWWJZLASA-N 1 0 375.900 4.091 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1c[nH]nc1C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000190206739 823550633 /nfs/dbraw/zinc/55/06/33/823550633.db2.gz AXJXVBDHVKDEBB-QGZVFWFLSA-N 1 0 394.441 4.119 20 0 GIADRO CC(C)CC(=O)Nc1ccc(C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)cc1F ZINC000460965252 823552114 /nfs/dbraw/zinc/55/21/14/823552114.db2.gz YLAAOOJVIHLSPR-AOMKIAJQSA-N 1 0 391.531 4.051 20 0 GIADRO CC[C@@H](C)[N@H+](CCc1cncs1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000411155011 823552367 /nfs/dbraw/zinc/55/23/67/823552367.db2.gz NQMDAGATERFKCT-CYBMUJFWSA-N 1 0 385.455 4.444 20 0 GIADRO Cc1ccc(-c2nc(C)c(C(=O)NCCCC[N@H+]3CCCC[C@@H]3C)s2)o1 ZINC000060691628 823553093 /nfs/dbraw/zinc/55/30/93/823553093.db2.gz SVHBHGSHKVGGLT-AWEZNQCLSA-N 1 0 375.538 4.404 20 0 GIADRO CC(C)CC(=O)Nc1ccc(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc1F ZINC000460971267 823553335 /nfs/dbraw/zinc/55/33/35/823553335.db2.gz SZRNPMNVWOJBJB-MRXNPFEDSA-N 1 0 391.531 4.051 20 0 GIADRO CC1CC[NH+](CCCCNC(=O)c2ccccc2C(=O)c2ccccc2)CC1 ZINC000060703104 823553413 /nfs/dbraw/zinc/55/34/13/823553413.db2.gz JGTFGYPUUABWMD-UHFFFAOYSA-N 1 0 378.516 4.160 20 0 GIADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(-c2ccc(F)cc2)nc2ccccc21 ZINC000060722319 823554107 /nfs/dbraw/zinc/55/41/07/823554107.db2.gz ZGYFLBWXHDABMO-FYYLOGMGSA-N 1 0 389.474 4.398 20 0 GIADRO Cc1cc([C@H]2CCC[N@@H+]2CCC(=O)N[C@H](c2cccs2)c2ccccc2)on1 ZINC000411172463 823554216 /nfs/dbraw/zinc/55/42/16/823554216.db2.gz LWLOFYXOSSWPLE-GCJKJVERSA-N 1 0 395.528 4.477 20 0 GIADRO CCOCCC1(C(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2C)CCCC1 ZINC000123950830 823554505 /nfs/dbraw/zinc/55/45/05/823554505.db2.gz FFWNAXATOZVEPS-UHFFFAOYSA-N 1 0 387.568 4.062 20 0 GIADRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@H]1CCCc2c(O)cccc21 ZINC000190244803 823555152 /nfs/dbraw/zinc/55/51/52/823555152.db2.gz NCKMZHIGUXXWRX-FQEVSTJZSA-N 1 0 396.556 4.308 20 0 GIADRO CCOc1ccccc1NC(=O)[C@H](C)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000411187248 823555438 /nfs/dbraw/zinc/55/54/38/823555438.db2.gz PQQOTRPXRQKZNZ-IBGZPJMESA-N 1 0 387.568 4.000 20 0 GIADRO CC[NH+](CC)CC1CCN(C(=O)c2cc(C)cc(C)c2Br)CC1 ZINC000460982149 823555538 /nfs/dbraw/zinc/55/55/38/823555538.db2.gz QPBWKZRORJGPGC-UHFFFAOYSA-N 1 0 381.358 4.260 20 0 GIADRO COc1ccc2sc(C(=O)N[C@@H](Cc3ccccc3)C[NH+](C)C)c(C)c2c1 ZINC000460986251 823556138 /nfs/dbraw/zinc/55/61/38/823556138.db2.gz HMMOYLQGIKTFCZ-KRWDZBQOSA-N 1 0 382.529 4.121 20 0 GIADRO C[NH+](C)Cc1c2ccccc2oc1C(=O)NC[C@@H]1CCO[C@H]1c1ccccc1 ZINC000190254549 823556599 /nfs/dbraw/zinc/55/65/99/823556599.db2.gz XQJSRMOOIOVGLC-UWJYYQICSA-N 1 0 378.472 4.002 20 0 GIADRO O=C(C[C@@H](c1ccc(O)cc1)C1CC1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000411202101 823556916 /nfs/dbraw/zinc/55/69/16/823556916.db2.gz UUHSRXPKJNHTPN-HSZRJFAPSA-N 1 0 378.516 4.010 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)ccc1OC(F)F ZINC000123988712 823558073 /nfs/dbraw/zinc/55/80/73/823558073.db2.gz MDSQUROTRCXZBR-CJNGLKHVSA-N 1 0 390.430 4.032 20 0 GIADRO CC1(C)CC(NC(=O)N(CCC(F)(F)F)Cc2ccccc2)CC(C)(C)[NH2+]1 ZINC000190272352 823558142 /nfs/dbraw/zinc/55/81/42/823558142.db2.gz LVTWEJMWNFUFRQ-UHFFFAOYSA-N 1 0 385.474 4.460 20 0 GIADRO Cc1ccc(-c2nnc(N3C[C@@H]([NH+]4CCCC4)C[C@H]3C)n2Cc2cccs2)o1 ZINC000461013313 823559132 /nfs/dbraw/zinc/55/91/32/823559132.db2.gz FJHRZBLHJFPBPI-WBVHZDCISA-N 1 0 397.548 4.019 20 0 GIADRO CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@@H]1CCc2sc(Cl)cc21)c1ccco1 ZINC000461015527 823559314 /nfs/dbraw/zinc/55/93/14/823559314.db2.gz MXKQKLLJTVLCAV-IACUBPJLSA-N 1 0 381.929 4.410 20 0 GIADRO CCOc1cc(C[NH2+]C2CCCCCC2)ccc1OCC(=O)N1CCCCC1 ZINC000060815878 823559510 /nfs/dbraw/zinc/55/95/10/823559510.db2.gz VSSYDQGJZZOVSQ-UHFFFAOYSA-N 1 0 388.552 4.289 20 0 GIADRO COc1ccc([C@H](C[NH2+]Cc2ccc3ccccc3c2)N2CCOCC2)cc1 ZINC000060818145 823559648 /nfs/dbraw/zinc/55/96/48/823559648.db2.gz FWONXKXHNYLGBD-DEOSSOPVSA-N 1 0 376.500 4.012 20 0 GIADRO COc1ccc(C[NH2+]C[C@@H](c2ccco2)N2CCCCC2)cc1Br ZINC000060818776 823559653 /nfs/dbraw/zinc/55/96/53/823559653.db2.gz YOLQXLFOHJHRLU-KRWDZBQOSA-N 1 0 393.325 4.368 20 0 GIADRO COc1cc(C[NH2+]C[C@@H]2COc3ccccc3O2)ccc1OCc1ccccc1 ZINC000060818088 823559676 /nfs/dbraw/zinc/55/96/76/823559676.db2.gz WCPJVOKNCOTBOK-HXUWFJFHSA-N 1 0 391.467 4.204 20 0 GIADRO COc1cc(C[NH2+]Cc2ccc3c(c2)OCCO3)ccc1OCc1ccccc1 ZINC000060818478 823559704 /nfs/dbraw/zinc/55/97/04/823559704.db2.gz FBULAGWTLUUVDR-UHFFFAOYSA-N 1 0 391.467 4.335 20 0 GIADRO C[C@H](C(=O)N[C@H](c1ccccc1)c1ccc2[nH]cnc2c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000411244698 823559995 /nfs/dbraw/zinc/55/99/95/823559995.db2.gz ILXAPMQTKOFYIG-MPWIWIEXSA-N 1 0 376.504 4.030 20 0 GIADRO O=C(c1cccc(C[NH+]2CCCCC2)c1)N1CCC(c2ccc(O)cc2)CC1 ZINC000411242824 823560011 /nfs/dbraw/zinc/56/00/11/823560011.db2.gz SMNAWMAZONAASB-UHFFFAOYSA-N 1 0 378.516 4.398 20 0 GIADRO COc1cc(C[NH2+]Cc2cc(Br)ccc2C)cc(OC)c1OC ZINC000190299848 823560349 /nfs/dbraw/zinc/56/03/49/823560349.db2.gz JUAXKYBTJIVTOC-UHFFFAOYSA-N 1 0 380.282 4.073 20 0 GIADRO Cc1nc2ccccc2n1CCC[NH2+]Cc1ccc(F)c(Br)c1 ZINC000060831517 823561016 /nfs/dbraw/zinc/56/10/16/823561016.db2.gz CKVUVQQHEWOGAT-UHFFFAOYSA-N 1 0 376.273 4.426 20 0 GIADRO Cc1ccc(Cn2nccc2NC(=O)c2cccc(C[NH+]3CCCCC3)c2)o1 ZINC000411264733 823561100 /nfs/dbraw/zinc/56/11/00/823561100.db2.gz MNODCUXMEGCZGG-UHFFFAOYSA-N 1 0 378.476 4.071 20 0 GIADRO COc1cc(C[NH2+]Cc2ccc(C)nc2-n2cc(Cl)cn2)ccc1SC ZINC000190306768 823561134 /nfs/dbraw/zinc/56/11/34/823561134.db2.gz OFHQZWIKQSDFLU-UHFFFAOYSA-N 1 0 388.924 4.249 20 0 GIADRO COc1ccc(C[NH2+]Cc2ccc(OCc3ccccc3)c(OC)c2)cc1O ZINC000060843457 823561552 /nfs/dbraw/zinc/56/15/52/823561552.db2.gz LWIHXARWKPAVAA-UHFFFAOYSA-N 1 0 379.456 4.278 20 0 GIADRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)Nc3nnc(C4CC4)s3)cc2)C1 ZINC000060857518 823562661 /nfs/dbraw/zinc/56/26/61/823562661.db2.gz UVOTYORBJRWTPL-GJZGRUSLSA-N 1 0 399.564 4.215 20 0 GIADRO Cc1nn(C)cc1CN1CCc2c(cccc2NC(=O)Nc2ccc(F)cc2)C1 ZINC000124046643 823562780 /nfs/dbraw/zinc/56/27/80/823562780.db2.gz YDNHFCRZEVGSMJ-UHFFFAOYSA-N 1 0 393.466 4.070 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]Cc2cc(Br)c(OC)c(OC)c2)cc1 ZINC000124047439 823562869 /nfs/dbraw/zinc/56/28/69/823562869.db2.gz FZRFMNMCIBTGDN-GFCCVEGCSA-N 1 0 380.282 4.326 20 0 GIADRO CC[NH+](CC)CCOc1ccc(CNc2cc(C)nc(-c3ccncc3)n2)cc1 ZINC000060859225 823562912 /nfs/dbraw/zinc/56/29/12/823562912.db2.gz INJZSHJBKUFETO-UHFFFAOYSA-N 1 0 391.519 4.180 20 0 GIADRO C[NH+]1CCC(NC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc32)CC1 ZINC000060859470 823563003 /nfs/dbraw/zinc/56/30/03/823563003.db2.gz GBAXOKHMDMODPM-UHFFFAOYSA-N 1 0 385.920 4.441 20 0 GIADRO C[C@H]1C[C@@H](N(C)Cc2c(Cl)nc(Cl)n2C)CC[N@@H+]1Cc1ccccc1 ZINC000124062433 823564213 /nfs/dbraw/zinc/56/42/13/823564213.db2.gz BPLDFSBGJYBOOR-HOCLYGCPSA-N 1 0 381.351 4.212 20 0 GIADRO CO[C@H](C)c1nc(CN2CCC[N@@H+]([C@H]3C[C@H]3c3cccc(F)c3)CC2)cs1 ZINC000411330244 823564817 /nfs/dbraw/zinc/56/48/17/823564817.db2.gz KSBLHLSNYGKRCZ-XPGWFJOJSA-N 1 0 389.540 4.053 20 0 GIADRO COC[C@@H]([NH2+][C@@H](CO)Cc1c[nH]c2ccccc12)c1cccc(C(F)(F)F)c1 ZINC000124070628 823564960 /nfs/dbraw/zinc/56/49/60/823564960.db2.gz SUDOVQMZEJBFOG-YLJYHZDGSA-N 1 0 392.421 4.067 20 0 GIADRO COc1ccc(C[NH2+]C[C@](C)(O)c2ccsc2)cc1OCc1ccccc1 ZINC000124084709 823566114 /nfs/dbraw/zinc/56/61/14/823566114.db2.gz ZGEDPVIWGWVYBR-QFIPXVFZSA-N 1 0 383.513 4.333 20 0 GIADRO O=C(N1CC[C@@H](C[NH+]2CCCC2)C1)C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000461051250 823566087 /nfs/dbraw/zinc/56/60/87/823566087.db2.gz LAYZABLXJWITQE-INIZCTEOSA-N 1 0 380.454 4.071 20 0 GIADRO Cc1nc(CC2CC2)sc1C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000190362236 823566490 /nfs/dbraw/zinc/56/64/90/823566490.db2.gz VOXPYXKSJFKNPG-UHFFFAOYSA-N 1 0 383.561 4.107 20 0 GIADRO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C[NH2+][C@H](C(N)=O)C(C)(C)C ZINC000411363113 823566527 /nfs/dbraw/zinc/56/65/27/823566527.db2.gz CQZVLRKSMBEHFH-CQSZACIVSA-N 1 0 385.455 4.127 20 0 GIADRO COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)cc1 ZINC000124088570 823566634 /nfs/dbraw/zinc/56/66/34/823566634.db2.gz PHHTWYIRLFFWGJ-ILXRZTDVSA-N 1 0 379.497 4.081 20 0 GIADRO CC[NH+](CC)Cc1ccc(NCc2c[nH]nc2-c2ccc3c(c2)OCCO3)cc1 ZINC000190382515 823568080 /nfs/dbraw/zinc/56/80/80/823568080.db2.gz GTLCDVJBBGSAGV-UHFFFAOYSA-N 1 0 392.503 4.302 20 0 GIADRO COc1ccccc1CNC(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000060937388 823568133 /nfs/dbraw/zinc/56/81/33/823568133.db2.gz JBHFQKIUROBWDV-OALUTQOASA-N 1 0 395.547 4.173 20 0 GIADRO c1ccc(COc2ccc(C3([NH2+]CCc4ccccn4)CCOCC3)cc2)cc1 ZINC000411389176 823568946 /nfs/dbraw/zinc/56/89/46/823568946.db2.gz VRDDXQLLCOUNQD-UHFFFAOYSA-N 1 0 388.511 4.499 20 0 GIADRO Cc1cc(NC(=O)[C@H](C)c2ccc(F)c(F)c2)ccc1OCC[NH+]1CCCC1 ZINC000461067551 823569379 /nfs/dbraw/zinc/56/93/79/823569379.db2.gz PJJSPIJXBASELZ-MRXNPFEDSA-N 1 0 388.458 4.490 20 0 GIADRO C[NH+](C)CCOc1ccc(CNC(=O)Nc2ccc(-c3nccs3)cc2)cc1 ZINC000124124347 823569594 /nfs/dbraw/zinc/56/95/94/823569594.db2.gz JUMAWRHFDCLDHA-UHFFFAOYSA-N 1 0 396.516 4.072 20 0 GIADRO CCN(Cc1c[nH]c2ccccc12)C(=O)NC[C@H](c1ccco1)[NH+](CC)CC ZINC000190404954 823569861 /nfs/dbraw/zinc/56/98/61/823569861.db2.gz RHTSOQFNRKLWID-HXUWFJFHSA-N 1 0 382.508 4.376 20 0 GIADRO CSc1ccc(OC[C@H](O)C[NH+]2CCC(Nc3cccc(C)c3)CC2)cc1 ZINC000411396021 823569896 /nfs/dbraw/zinc/56/98/96/823569896.db2.gz WOLLQRPKNVVLGS-HXUWFJFHSA-N 1 0 386.561 4.033 20 0 GIADRO C[C@@H]([NH2+][C@@H](CO)Cc1c[nH]c2ccccc12)c1ccc(F)cc1OC(F)F ZINC000124130698 823570322 /nfs/dbraw/zinc/57/03/22/823570322.db2.gz DYJSJGCJUJRWAQ-IUODEOHRSA-N 1 0 378.394 4.163 20 0 GIADRO CCCCn1ncc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1C ZINC000124134802 823570692 /nfs/dbraw/zinc/57/06/92/823570692.db2.gz FJAZQYAYPKJNQY-WIYYLYMNSA-N 1 0 382.552 4.117 20 0 GIADRO CCCCn1ncc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1C ZINC000124135003 823570709 /nfs/dbraw/zinc/57/07/09/823570709.db2.gz FJAZQYAYPKJNQY-NQIIRXRSSA-N 1 0 382.552 4.117 20 0 GIADRO CCCNC(=O)CCC[N@@H+]1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000411405570 823570774 /nfs/dbraw/zinc/57/07/74/823570774.db2.gz ZRONZVBNBXRNTC-GOSISDBHSA-N 1 0 390.572 4.068 20 0 GIADRO CC[C@@H]([NH2+]CC(=O)Nc1ccccc1Br)c1ccc(OC)cc1 ZINC000124136616 823570888 /nfs/dbraw/zinc/57/08/88/823570888.db2.gz QXVIQVREVLUEAZ-MRXNPFEDSA-N 1 0 377.282 4.137 20 0 GIADRO CC(C)c1ccccc1NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000190418705 823571328 /nfs/dbraw/zinc/57/13/28/823571328.db2.gz URCCKDREPHHLCV-FQEVSTJZSA-N 1 0 381.520 4.223 20 0 GIADRO CC[C@@]1(C)Oc2ccc(NC(=O)N3CCC(CCC[NH+](C)C)CC3)cc2O1 ZINC000190425999 823572257 /nfs/dbraw/zinc/57/22/57/823572257.db2.gz ZLBRJUMUFUWEFK-NRFANRHFSA-N 1 0 375.513 4.170 20 0 GIADRO CCc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C2CCC(O)CC2)cc1 ZINC000061003533 823572316 /nfs/dbraw/zinc/57/23/16/823572316.db2.gz BDDCPENLRKGOOK-UHFFFAOYSA-N 1 0 375.516 4.495 20 0 GIADRO C[C@@H](c1cccnc1)[N@H+](C)CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000411423996 823572475 /nfs/dbraw/zinc/57/24/75/823572475.db2.gz PJFXVQQKXUCCDG-JTSKRJEESA-N 1 0 379.529 4.432 20 0 GIADRO C[C@@H]1CN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000411423723 823572583 /nfs/dbraw/zinc/57/25/83/823572583.db2.gz YLQZAIMASBEDDV-FOVJLYNBSA-N 1 0 397.994 4.387 20 0 GIADRO Cc1ncc(CN(C)C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)s1 ZINC000061011670 823572609 /nfs/dbraw/zinc/57/26/09/823572609.db2.gz FFVALFLTJXQRPG-UHFFFAOYSA-N 1 0 386.565 4.169 20 0 GIADRO CCOC1CC(CCNC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000190431276 823572827 /nfs/dbraw/zinc/57/28/27/823572827.db2.gz WPQWBLJXOOFODN-UHFFFAOYSA-N 1 0 387.568 4.067 20 0 GIADRO Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]C[C@H](c1ccco1)N1CCCC1 ZINC000061013977 823572848 /nfs/dbraw/zinc/57/28/48/823572848.db2.gz PPYSDOPAFUGJSA-HXUWFJFHSA-N 1 0 398.938 4.413 20 0 GIADRO COc1ccccc1[C@H](C[NH2+]Cc1ccc(Br)s1)N1CCCC1 ZINC000061015136 823573058 /nfs/dbraw/zinc/57/30/58/823573058.db2.gz UZAIQZSFILQMGS-INIZCTEOSA-N 1 0 395.366 4.446 20 0 GIADRO C[C@@H](c1ccncc1)[N@H+](C)CCc1nc2sc3c(c2c(N)n1)CC[C@@H](C)C3 ZINC000411430952 823573409 /nfs/dbraw/zinc/57/34/09/823573409.db2.gz YYLRCAYVASYJOR-KGLIPLIRSA-N 1 0 381.549 4.029 20 0 GIADRO C[C@@H]1c2ccsc2CCN1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000061022281 823573633 /nfs/dbraw/zinc/57/36/33/823573633.db2.gz YITKWPGPXSEPBZ-OAHLLOKOSA-N 1 0 389.590 4.351 20 0 GIADRO O=C(N1CC[C@@H]([NH+]2CCCCC2)C1)C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000461087372 823574020 /nfs/dbraw/zinc/57/40/20/823574020.db2.gz YTOCFZRRPWPQMH-GOSISDBHSA-N 1 0 380.454 4.214 20 0 GIADRO CO[C@@]1(C[NH2+][C@H](c2cccc(F)c2)c2cccc(Br)c2)CCOC1 ZINC000461087270 823574024 /nfs/dbraw/zinc/57/40/24/823574024.db2.gz MOECDGUAYAYMOD-RBUKOAKNSA-N 1 0 394.284 4.073 20 0 GIADRO CC1(C)CN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CC[C@@H]1C(F)(F)F ZINC000190441561 823574688 /nfs/dbraw/zinc/57/46/88/823574688.db2.gz CFVIHNZYGXFICE-HOCLYGCPSA-N 1 0 387.446 4.037 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[NH2+][C@@H](C)c1c(F)cccc1F ZINC000411443835 823574788 /nfs/dbraw/zinc/57/47/88/823574788.db2.gz JCECSZJQLHABII-AWEZNQCLSA-N 1 0 398.457 4.447 20 0 GIADRO c1ccc(OCC2CC2)c(C[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)c1 ZINC000124180324 823575098 /nfs/dbraw/zinc/57/50/98/823575098.db2.gz XENLSHPSINUTJZ-FQEVSTJZSA-N 1 0 380.536 4.173 20 0 GIADRO CSc1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)cc1 ZINC000411446514 823575150 /nfs/dbraw/zinc/57/51/50/823575150.db2.gz OUBAAAFJIRKXLT-DZGCQCFKSA-N 1 0 383.460 4.100 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)[C@H]2CCCc3c(O)cccc32)cc1Cl ZINC000190444931 823575142 /nfs/dbraw/zinc/57/51/42/823575142.db2.gz ZDRWHNMFEYAMMO-KRWDZBQOSA-N 1 0 388.895 4.045 20 0 GIADRO COc1cc([C@H](C)[NH2+]CCc2nc3ccccc3c(=O)[nH]2)ccc1OC(C)C ZINC000411449550 823575690 /nfs/dbraw/zinc/57/56/90/823575690.db2.gz MBRPNAFEJDHYQA-HNNXBMFYSA-N 1 0 381.476 4.025 20 0 GIADRO C[C@H]([NH2+][C@@H](CCO)C1CCOCC1)c1ccc2ccccc2c1OC(F)F ZINC000461095172 823575872 /nfs/dbraw/zinc/57/58/72/823575872.db2.gz BRDBWUBKGLDVFB-LIRRHRJNSA-N 1 0 379.447 4.269 20 0 GIADRO CSc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccccc2OC(F)F)cc1 ZINC000411455291 823576600 /nfs/dbraw/zinc/57/66/00/823576600.db2.gz ZWCWMXUTWRSVJH-KBPBESRZSA-N 1 0 383.460 4.100 20 0 GIADRO COc1cc(Br)c(CNC[C@@H](C2CCCCC2)[NH+](C)C)cc1OC ZINC000061070569 823576718 /nfs/dbraw/zinc/57/67/18/823576718.db2.gz LPFYGRIKCCPPJR-KRWDZBQOSA-N 1 0 399.373 4.066 20 0 GIADRO COC[C@@H]([NH2+]CCC(=O)N[C@H](c1cccs1)c1ccccc1)c1ccccc1 ZINC000411458359 823577014 /nfs/dbraw/zinc/57/70/14/823577014.db2.gz QDXDSSHUKHGHJD-OFNKIYASSA-N 1 0 394.540 4.321 20 0 GIADRO Clc1ccc(-c2noc(CC[NH2+][C@@H](c3ccccc3)[C@@H]3CCOC3)n2)cc1 ZINC000411458550 823577044 /nfs/dbraw/zinc/57/70/44/823577044.db2.gz JKNOZUNAIRCPMG-XLIONFOSSA-N 1 0 383.879 4.300 20 0 GIADRO Clc1cccc(-c2noc(CC[NH2+][C@H](c3ccccc3)[C@@H]3CCOC3)n2)c1 ZINC000411458637 823577201 /nfs/dbraw/zinc/57/72/01/823577201.db2.gz JWQSJNMXXLWPPU-YLJYHZDGSA-N 1 0 383.879 4.300 20 0 GIADRO Cc1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@H](CCO)C2CCOCC2)CCC3)cc1 ZINC000461101133 823577515 /nfs/dbraw/zinc/57/75/15/823577515.db2.gz CSTZFEOEASRTOL-MOPGFXCFSA-N 1 0 386.561 4.263 20 0 GIADRO CC(C)[N@@H+](Cc1ccc(NC(=O)[C@@H]2[C@@H](C)C2(F)F)cc1)C[C@@H]1CCCCO1 ZINC000461101613 823577754 /nfs/dbraw/zinc/57/77/54/823577754.db2.gz SOHDYSCPEKEFQF-MNEFBYGVSA-N 1 0 380.479 4.306 20 0 GIADRO O=C(CC[NH2+][C@H](c1ccccc1)[C@H]1CCOC1)Nc1cccc(C(F)(F)F)c1 ZINC000411465604 823577943 /nfs/dbraw/zinc/57/79/43/823577943.db2.gz XTUWPDSJFDKPBJ-OXJNMPFZSA-N 1 0 392.421 4.401 20 0 GIADRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2cc(Oc3ccc(F)cc3)ccn2)C[C@@H]1C ZINC000461103923 823578053 /nfs/dbraw/zinc/57/80/53/823578053.db2.gz QIADHAILCBNIIS-LUQKVYGDSA-N 1 0 386.467 4.471 20 0 GIADRO C[S@](=O)C[C@@H]([NH2+]CCC(=O)Nc1c(Cl)cccc1Cl)c1ccccc1 ZINC000411469164 823578591 /nfs/dbraw/zinc/57/85/91/823578591.db2.gz FXASQDCMSVRHBV-CPJLOUKISA-N 1 0 399.343 4.031 20 0 GIADRO O=C(CC[NH2+]C1(c2cccc(F)c2)CC1)Nc1ccccc1Br ZINC000411474965 823579062 /nfs/dbraw/zinc/57/90/62/823579062.db2.gz ROVVMHJVHYUXCB-UHFFFAOYSA-N 1 0 377.257 4.196 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)[NH2+]CCC(=O)Nc2cccc(F)c2C)cc1 ZINC000411478790 823579590 /nfs/dbraw/zinc/57/95/90/823579590.db2.gz SRTLOJYNQJEEOH-INIZCTEOSA-N 1 0 380.467 4.308 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]CCC(=O)Nc2cccc(F)c2C)cc1 ZINC000411478794 823579633 /nfs/dbraw/zinc/57/96/33/823579633.db2.gz SRTLOJYNQJEEOH-MRXNPFEDSA-N 1 0 380.467 4.308 20 0 GIADRO Cc1c(C[N@@H+]2CCC[C@H]2c2ccccc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000124231892 823579623 /nfs/dbraw/zinc/57/96/23/823579623.db2.gz VVFWVYOQVBRHBC-NRFANRHFSA-N 1 0 381.907 4.475 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCC(c3ccncc3)CC2)[C@@H]1c1cccs1 ZINC000190484274 823580065 /nfs/dbraw/zinc/58/00/65/823580065.db2.gz MKHLBVLYKJIKER-PZJWPPBQSA-N 1 0 398.576 4.115 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)CC[N@@H+]1C ZINC000124239715 823580160 /nfs/dbraw/zinc/58/01/60/823580160.db2.gz RKYVLGFVEIJRDG-NQIIRXRSSA-N 1 0 388.515 4.094 20 0 GIADRO O=C(Nc1ncc(-c2ccccc2)s1)Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000461117445 823580509 /nfs/dbraw/zinc/58/05/09/823580509.db2.gz UZHWFAQKDRLCPD-SFHVURJKSA-N 1 0 394.500 4.021 20 0 GIADRO C[C@@H]([NH2+]CCC(=O)Nc1c(Cl)cccc1Cl)c1ccc([S@](C)=O)cc1 ZINC000411486888 823580622 /nfs/dbraw/zinc/58/06/22/823580622.db2.gz USNZZEGCKOTYPS-YDBLSZJJSA-N 1 0 399.343 4.410 20 0 GIADRO CCc1cnccc1[C@@H](C)[NH2+]CCC(=O)Nc1ccccc1Br ZINC000411501160 823581871 /nfs/dbraw/zinc/58/18/71/823581871.db2.gz HOWQYKHFATWUQC-CYBMUJFWSA-N 1 0 376.298 4.086 20 0 GIADRO COc1cc(Cl)c(F)c(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000411501507 823581891 /nfs/dbraw/zinc/58/18/91/823581891.db2.gz KEXNRGQKDLSMFE-UHFFFAOYSA-N 1 0 394.849 4.021 20 0 GIADRO COCCOc1ccc(NC(=O)c2cccc(C[NH+]3CCCCC3)c2)c(C)c1 ZINC000411504834 823582184 /nfs/dbraw/zinc/58/21/84/823582184.db2.gz NBXVUTYXEWRBAT-UHFFFAOYSA-N 1 0 382.504 4.258 20 0 GIADRO CC1(C)C[C@@H](C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)c2ccccc2O1 ZINC000411508809 823582440 /nfs/dbraw/zinc/58/24/40/823582440.db2.gz ZKVQRNJFTRKMTH-OAQYLSRUSA-N 1 0 396.506 4.251 20 0 GIADRO CCc1ccc([C@@H](CO)[NH2+]CCC(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000411511686 823582545 /nfs/dbraw/zinc/58/25/45/823582545.db2.gz PXYXXGNASHGQLI-GOSISDBHSA-N 1 0 381.303 4.208 20 0 GIADRO CCc1ccc([C@H](CO)[NH2+]CCC(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000411511688 823582613 /nfs/dbraw/zinc/58/26/13/823582613.db2.gz PXYXXGNASHGQLI-SFHVURJKSA-N 1 0 381.303 4.208 20 0 GIADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)C1 ZINC000124270618 823582682 /nfs/dbraw/zinc/58/26/82/823582682.db2.gz WLRAXZFKPXRIGJ-KRWDZBQOSA-N 1 0 389.540 4.131 20 0 GIADRO Cc1cnc([C@H]([NH2+]CCC(=O)Nc2ccc(Br)cc2)C2CC2)s1 ZINC000411514804 823583271 /nfs/dbraw/zinc/58/32/71/823583271.db2.gz GUHWMCOUZQQHBT-MRXNPFEDSA-N 1 0 394.338 4.284 20 0 GIADRO CC(C)[C@H](CCO)[NH2+]Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1 ZINC000411514857 823583314 /nfs/dbraw/zinc/58/33/14/823583314.db2.gz SXKVEKPRAXKNNC-HNNXBMFYSA-N 1 0 391.924 4.214 20 0 GIADRO COC[C@@H]([NH2+]CCC(=O)NC(c1ccccc1)c1ccccc1)c1ccc(C)o1 ZINC000411517128 823583450 /nfs/dbraw/zinc/58/34/50/823583450.db2.gz ZTIAKXCTKZHMDX-OAQYLSRUSA-N 1 0 392.499 4.161 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CC(=O)N(C)Cc1cccs1 ZINC000411519335 823583999 /nfs/dbraw/zinc/58/39/99/823583999.db2.gz LYLWQQYEPKNYCA-CQSZACIVSA-N 1 0 385.558 4.489 20 0 GIADRO COc1ccc2oc([C@@H](C)[NH2+]CCc3nc4ccccc4c(=O)[nH]3)c(C)c2c1 ZINC000411520611 823584093 /nfs/dbraw/zinc/58/40/93/823584093.db2.gz QSMUQAIQBUHYOD-CQSZACIVSA-N 1 0 377.444 4.292 20 0 GIADRO C[C@H]([NH2+]CCC(=O)Nc1c(Cl)cccc1Cl)[C@H]1COc2ccccc21 ZINC000411533220 823585548 /nfs/dbraw/zinc/58/55/48/823585548.db2.gz MEBHJHQSIIHPMJ-GXTWGEPZSA-N 1 0 379.287 4.476 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)CCC(=O)c2ccc(OC)c(F)c2)cc1 ZINC000190556418 823585960 /nfs/dbraw/zinc/58/59/60/823585960.db2.gz OZLDZOUXAAWTRO-UHFFFAOYSA-N 1 0 386.467 4.278 20 0 GIADRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1C(F)(F)F)[C@@H]1COc2ccccc21 ZINC000411538976 823586343 /nfs/dbraw/zinc/58/63/43/823586343.db2.gz VAVPMDNXAUQXFL-ZFWWWQNUSA-N 1 0 378.394 4.188 20 0 GIADRO O=C(NC[C@H]1CCC[N@H+](Cc2ccc3ncccc3c2)C1)Nc1cccc(F)c1 ZINC000124314312 823586389 /nfs/dbraw/zinc/58/63/89/823586389.db2.gz PSHOZCUMFBXRCJ-GOSISDBHSA-N 1 0 392.478 4.408 20 0 GIADRO FC(F)(F)Oc1ccc(NC(=S)NCCC[NH+]2CCCCCC2)cc1 ZINC000061247068 823587165 /nfs/dbraw/zinc/58/71/65/823587165.db2.gz BOQFAXJFMNXWTA-UHFFFAOYSA-N 1 0 375.460 4.138 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)Cc2c(C)nn(CC(F)(F)F)c2C)cc1 ZINC000190575580 823587677 /nfs/dbraw/zinc/58/76/77/823587677.db2.gz FRYPBCNAGGMCIJ-UHFFFAOYSA-N 1 0 396.457 4.085 20 0 GIADRO CC(C)C[C@H]1OCCC[C@H]1[NH2+]Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000411561691 823588221 /nfs/dbraw/zinc/58/82/21/823588221.db2.gz RAOAATVRTGIVLF-GDBMZVCRSA-N 1 0 387.505 4.340 20 0 GIADRO CCOC(=O)C[C@](C)([NH2+]CCC(=O)Nc1c(Cl)cccc1Cl)C(C)C ZINC000411565702 823588553 /nfs/dbraw/zinc/58/85/53/823588553.db2.gz XZXKMSXHKUFGOX-SFHVURJKSA-N 1 0 389.323 4.280 20 0 GIADRO C[C@@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)c1ccccc1C(F)(F)F ZINC000411593196 823589581 /nfs/dbraw/zinc/58/95/81/823589581.db2.gz FDGKESPCDRWSBA-UKRRQHHQSA-N 1 0 386.483 4.100 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)c1cccc2ncccc21 ZINC000061288400 823590031 /nfs/dbraw/zinc/59/00/31/823590031.db2.gz ZAMBUQUOCKSKJX-UHFFFAOYSA-N 1 0 377.513 4.078 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)c2sc(NC(=O)C3CC3)cc2C)cc1 ZINC000190599825 823590037 /nfs/dbraw/zinc/59/00/37/823590037.db2.gz BAPMDZGNHYKNFQ-UHFFFAOYSA-N 1 0 385.533 4.499 20 0 GIADRO CS(=O)(=O)c1ccc(C[NH2+][C@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)o1 ZINC000411608798 823590528 /nfs/dbraw/zinc/59/05/28/823590528.db2.gz LKRFXBNEKDXSHV-ZBFHGGJFSA-N 1 0 387.423 4.128 20 0 GIADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(NC(=O)c3cccs3)cc2)C1 ZINC000124366880 823590588 /nfs/dbraw/zinc/59/05/88/823590588.db2.gz CTVKPLQDQROTMG-QGZVFWFLSA-N 1 0 399.560 4.098 20 0 GIADRO COc1cccc([C@@H](O)C[NH2+][C@H](c2ccc(Br)s2)C2CC2)c1 ZINC000190605146 823590846 /nfs/dbraw/zinc/59/08/46/823590846.db2.gz XRINTDBPUBJHKD-YOEHRIQHSA-N 1 0 382.323 4.294 20 0 GIADRO COc1cccc([C@H](O)C[NH2+][C@H](c2ccc(Br)s2)C2CC2)c1 ZINC000190605123 823590851 /nfs/dbraw/zinc/59/08/51/823590851.db2.gz XRINTDBPUBJHKD-PBHICJAKSA-N 1 0 382.323 4.294 20 0 GIADRO COc1ccc(C)cc1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1C ZINC000061308166 823591045 /nfs/dbraw/zinc/59/10/45/823591045.db2.gz SPCWVCSBFXSWFP-UHFFFAOYSA-N 1 0 384.545 4.042 20 0 GIADRO CNC(=O)c1cccc(CC[NH2+][C@@H](c2ccc(Br)s2)C2CC2)c1 ZINC000190609703 823591213 /nfs/dbraw/zinc/59/12/13/823591213.db2.gz PYRUYOAOXGWQEY-QGZVFWFLSA-N 1 0 393.350 4.154 20 0 GIADRO Cc1cc(C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)ccc1NC(=O)CC(C)C ZINC000124375694 823591450 /nfs/dbraw/zinc/59/14/50/823591450.db2.gz BBQXGMLDNQVYCZ-IBGZPJMESA-N 1 0 387.568 4.077 20 0 GIADRO C[C@@H]1CN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)C[C@@H](c2ccccc2)O1 ZINC000411621453 823591482 /nfs/dbraw/zinc/59/14/82/823591482.db2.gz QMLGDMBAYRJQPK-XXBNENTESA-N 1 0 378.516 4.275 20 0 GIADRO CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1CCC(=O)Nc1ccccc1Br ZINC000411621876 823591579 /nfs/dbraw/zinc/59/15/79/823591579.db2.gz SCYXAMJMWBPLGY-CYBMUJFWSA-N 1 0 393.247 4.441 20 0 GIADRO Fc1cccnc1N1CC[C@@H]([NH2+][C@@H](c2ccc(Br)s2)C2CC2)C1 ZINC000190615166 823591914 /nfs/dbraw/zinc/59/19/14/823591914.db2.gz AKXXDILDJXHGRQ-MLGOLLRUSA-N 1 0 396.329 4.364 20 0 GIADRO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]CCCc1nc2ccccc2n1C ZINC000124381559 823592011 /nfs/dbraw/zinc/59/20/11/823592011.db2.gz YYGWBAXWRQABTB-UHFFFAOYSA-N 1 0 391.494 4.237 20 0 GIADRO COc1ccc(C(C)(C)C[NH2+][C@@H](C)c2nc(Cc3ccc(F)cc3)no2)cc1 ZINC000124382670 823592016 /nfs/dbraw/zinc/59/20/16/823592016.db2.gz ZRDQIXNRPATAFU-HNNXBMFYSA-N 1 0 383.467 4.437 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)[C@H](C)CC(F)F)c1ccc(C(F)(F)F)cc1 ZINC000411624504 823592015 /nfs/dbraw/zinc/59/20/15/823592015.db2.gz UCIZYHYBTISGHW-DOMZBBRYSA-N 1 0 380.401 4.496 20 0 GIADRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CCC(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000411630923 823592312 /nfs/dbraw/zinc/59/23/12/823592312.db2.gz KYAUNVCCRBDBBL-VQTJNVASSA-N 1 0 398.551 4.001 20 0 GIADRO C[NH+](C)CCC(=O)Nc1ccc(NCc2ccc(CSC(F)F)o2)cc1 ZINC000124398876 823593373 /nfs/dbraw/zinc/59/33/73/823593373.db2.gz HECNHTCFIKZOAS-UHFFFAOYSA-N 1 0 383.464 4.238 20 0 GIADRO CCOc1ccccc1NC(=O)CC[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000411648369 823593916 /nfs/dbraw/zinc/59/39/16/823593916.db2.gz OGWNTUFLVHZBAA-RXVVDRJESA-N 1 0 388.895 4.187 20 0 GIADRO CC(C)OCc1ccccc1CNC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000061378974 823594220 /nfs/dbraw/zinc/59/42/20/823594220.db2.gz SPCBBMRUVSOYPI-UHFFFAOYSA-N 1 0 375.557 4.065 20 0 GIADRO CCC(CC)n1nccc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000124412349 823594705 /nfs/dbraw/zinc/59/47/05/823594705.db2.gz FWIKYFQIIYQDMU-RBBKRZOGSA-N 1 0 394.563 4.371 20 0 GIADRO CCCN(CC[NH+](CC)CC)C(=O)Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000461187215 823595246 /nfs/dbraw/zinc/59/52/46/823595246.db2.gz JBYAIGMXVTYGHP-UHFFFAOYSA-N 1 0 377.916 4.118 20 0 GIADRO O=c1nc(C[NH2+][C@@H]2CCCC[C@H]2OC(F)F)[nH]c2scc(-c3ccco3)c21 ZINC000411688119 823597058 /nfs/dbraw/zinc/59/70/58/823597058.db2.gz HUBPJTJOSYIZMF-DGCLKSJQSA-N 1 0 395.431 4.297 20 0 GIADRO COc1ccc(C(=O)Nc2cccc(C[NH2+][C@H](CCO)c3ccccc3)c2)cc1 ZINC000124450611 823597929 /nfs/dbraw/zinc/59/79/29/823597929.db2.gz INSKNRIZVPJBKR-HSZRJFAPSA-N 1 0 390.483 4.161 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(-c2ncco2)cc1F)C1CCN(CC(F)(F)F)CC1 ZINC000411698648 823597951 /nfs/dbraw/zinc/59/79/51/823597951.db2.gz XJMRIHRHFTZWAJ-CYBMUJFWSA-N 1 0 385.405 4.233 20 0 GIADRO COCC[C@@H]([NH2+]Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1)C(C)(C)C ZINC000411702647 823598087 /nfs/dbraw/zinc/59/80/87/823598087.db2.gz ZNRVIAFQWOWMCV-CQSZACIVSA-N 1 0 375.494 4.198 20 0 GIADRO CS(=O)(=O)c1ccc(C[NH2+][C@H](c2cccc(C(F)(F)F)c2)C2CCC2)o1 ZINC000411701525 823598094 /nfs/dbraw/zinc/59/80/94/823598094.db2.gz PCAWUPYJMZMURT-KRWDZBQOSA-N 1 0 387.423 4.333 20 0 GIADRO C[C@@H]1CC[N@H+](Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CCS1 ZINC000190688054 823598434 /nfs/dbraw/zinc/59/84/34/823598434.db2.gz UKJFRTWEMQYWHM-GOSISDBHSA-N 1 0 378.545 4.321 20 0 GIADRO C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@H+](C)CCCn1ccnc1 ZINC000124465468 823598907 /nfs/dbraw/zinc/59/89/07/823598907.db2.gz VYZFEWNYSMRAFE-ZDUSSCGKSA-N 1 0 379.386 4.035 20 0 GIADRO Cc1ccc(Br)cc1C[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000190695808 823598998 /nfs/dbraw/zinc/59/89/98/823598998.db2.gz PDUYAXQXVNENSP-OXJNMPFZSA-N 1 0 388.353 4.153 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)COc2cc(Cl)c(Cl)cc2Cl)CC1 ZINC000461209569 823599107 /nfs/dbraw/zinc/59/91/07/823599107.db2.gz CXYPADYVYRKCMI-UHFFFAOYSA-N 1 0 393.742 4.264 20 0 GIADRO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH2+][C@@H]2CCC[C@H]2OCc2ccccc2)c1C ZINC000411716020 823599356 /nfs/dbraw/zinc/59/93/56/823599356.db2.gz DCAPHWVYOLFTBM-PWIZWCRZSA-N 1 0 382.504 4.133 20 0 GIADRO CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)o1 ZINC000411717688 823599483 /nfs/dbraw/zinc/59/94/83/823599483.db2.gz JHNZMXPIHCMRNH-JKSUJKDBSA-N 1 0 387.423 4.128 20 0 GIADRO COc1cc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc(Cl)c1OCCC(C)C ZINC000124472108 823599604 /nfs/dbraw/zinc/59/96/04/823599604.db2.gz GUIKRWOSBUTNGI-WBVHZDCISA-N 1 0 396.959 4.328 20 0 GIADRO COc1ccccc1NC(=O)C[C@@H](C)[NH2+]Cc1cc(Br)ccc1C ZINC000190699903 823599691 /nfs/dbraw/zinc/59/96/91/823599691.db2.gz LLIWPWMVABSDOB-CQSZACIVSA-N 1 0 391.309 4.273 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)CCCCc2ccc(Br)cc2)CC1 ZINC000461212816 823599846 /nfs/dbraw/zinc/59/98/46/823599846.db2.gz MKNXISRXLZGCQS-UHFFFAOYSA-N 1 0 395.385 4.400 20 0 GIADRO CN(Cc1ccco1)C(=O)C[NH2+][C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000411722006 823599938 /nfs/dbraw/zinc/59/99/38/823599938.db2.gz UALQKFDUNSNJDO-MSOLQXFVSA-N 1 0 380.410 4.183 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)c2cc(-c3ccccc3F)on2)[NH+]2CCCC2)cc1 ZINC000061502814 823600055 /nfs/dbraw/zinc/60/00/55/823600055.db2.gz MGXWOVVLIADYIS-OAQYLSRUSA-N 1 0 393.462 4.356 20 0 GIADRO CCOc1ccccc1NC(=O)CC[NH2+][C@@H]1CCC[C@@H]1OCc1ccccc1 ZINC000411724178 823600235 /nfs/dbraw/zinc/60/02/35/823600235.db2.gz UCZHYANOPJVTSF-CTNGQTDRSA-N 1 0 382.504 4.141 20 0 GIADRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+]Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000411725533 823600351 /nfs/dbraw/zinc/60/03/51/823600351.db2.gz GCZATDZJKAXMKV-UIAACRFSSA-N 1 0 397.906 4.430 20 0 GIADRO O=C(CC[N@@H+]1CCC=C(c2cccnc2)C1)Nc1cccc(C(F)(F)F)c1 ZINC000411731721 823600737 /nfs/dbraw/zinc/60/07/37/823600737.db2.gz LWFOHECMOGTQLI-UHFFFAOYSA-N 1 0 375.394 4.218 20 0 GIADRO CCN(CC[NH+]1CCCCCC1)[C@H](C)c1nc2sc(C)c(C)c2c(=O)[nH]1 ZINC000411730882 823600777 /nfs/dbraw/zinc/60/07/77/823600777.db2.gz JOFYWZTZZFNPLN-OAHLLOKOSA-N 1 0 376.570 4.273 20 0 GIADRO CCOC(=O)c1ccc(C[NH2+]C(C)(C)c2ccc(Br)c(C)c2)nc1 ZINC000411741964 823601365 /nfs/dbraw/zinc/60/13/65/823601365.db2.gz FUMRCUNFNPKWKX-UHFFFAOYSA-N 1 0 391.309 4.354 20 0 GIADRO CC[NH2+]Cc1ccccc1NC(=O)c1nc(C(C)C)n(-c2ccccc2Cl)n1 ZINC000124497613 823601499 /nfs/dbraw/zinc/60/14/99/823601499.db2.gz PHSWFEUGDKULPE-UHFFFAOYSA-N 1 0 397.910 4.406 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CCC(=O)Nc2ccccc2SC)c(C)c1OC ZINC000411742498 823601551 /nfs/dbraw/zinc/60/15/51/823601551.db2.gz QZLSRPUUZPVXFA-HNNXBMFYSA-N 1 0 388.533 4.414 20 0 GIADRO CCOC(=O)c1ccc(C[NH2+][C@@H](Cc2ccccc2)c2ccc(OC)cc2)nc1 ZINC000411744707 823601867 /nfs/dbraw/zinc/60/18/67/823601867.db2.gz GYSQRNWBYPTPFN-QHCPKHFHSA-N 1 0 390.483 4.341 20 0 GIADRO CN1CC[C@@H]([NH2+]CCC(=O)Nc2ccccc2Cl)[C@@H]1c1ccc(Cl)cc1 ZINC000411750160 823602306 /nfs/dbraw/zinc/60/23/06/823602306.db2.gz QEMWFMBBQSVDSG-QUCCMNQESA-N 1 0 392.330 4.357 20 0 GIADRO OC[C@@H]1C[N@H+](Cc2ccc(-c3ncco3)cc2F)C[C@H]1c1ccc(Cl)cc1 ZINC000411751794 823602364 /nfs/dbraw/zinc/60/23/64/823602364.db2.gz SQONGMWOGWYJDB-HKUYNNGSSA-N 1 0 386.854 4.342 20 0 GIADRO C[C@H]1C[NH+](Cc2ccc(C[NH2+]Cc3c([O-])ccc(Cl)c3F)cc2)C[C@H](C)O1 ZINC000190730410 823602786 /nfs/dbraw/zinc/60/27/86/823602786.db2.gz YVNKPCMVCOOEEC-GJZGRUSLSA-N 1 0 392.902 4.084 20 0 GIADRO CC1(C)C[C@H](C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c2ccccc2O1 ZINC000411759578 823602978 /nfs/dbraw/zinc/60/29/78/823602978.db2.gz PYZROLZMXVFPBP-PXNSSMCTSA-N 1 0 398.572 4.421 20 0 GIADRO COCC[N@H+](CCC(=O)Nc1c(Cl)cccc1Cl)[C@H]1CCCSC1 ZINC000411758568 823602987 /nfs/dbraw/zinc/60/29/87/823602987.db2.gz OIIYNLVJKRUNSH-ZDUSSCGKSA-N 1 0 391.364 4.166 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)NCc1ccc(OC(C)C)cc1 ZINC000061550775 823603195 /nfs/dbraw/zinc/60/31/95/823603195.db2.gz SMGGOFBIQWSUBA-UHFFFAOYSA-N 1 0 383.536 4.315 20 0 GIADRO C[C@@H](NCc1ccc(C[NH+]2CCCCC2)cc1)c1ncc(Br)cn1 ZINC000411760780 823603243 /nfs/dbraw/zinc/60/32/43/823603243.db2.gz STQDNQOHQIEARH-OAHLLOKOSA-N 1 0 389.341 4.076 20 0 GIADRO C[C@H]([NH2+]CCC(=O)Nc1cccc(C(F)(F)F)c1)[C@H]1OCCc2sccc21 ZINC000411760056 823603256 /nfs/dbraw/zinc/60/32/56/823603256.db2.gz QXPVHVQBEVDHAL-KPZWWZAWSA-N 1 0 398.450 4.388 20 0 GIADRO CC1CCN([C@H](C[NH2+]Cc2cnn(-c3ccccc3)c2)c2cccs2)CC1 ZINC000061555800 823603644 /nfs/dbraw/zinc/60/36/44/823603644.db2.gz QDVWUOLHUPNFOM-OAQYLSRUSA-N 1 0 380.561 4.497 20 0 GIADRO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CNCCC[NH+]1CCC(C)CC1 ZINC000061558288 823603806 /nfs/dbraw/zinc/60/38/06/823603806.db2.gz UATKNZFKOJHSQU-UHFFFAOYSA-N 1 0 392.950 4.244 20 0 GIADRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1c(Cl)cccc1Cl ZINC000411780916 823604236 /nfs/dbraw/zinc/60/42/36/823604236.db2.gz AXQKFMWIBFFAGM-DOMZBBRYSA-N 1 0 387.307 4.034 20 0 GIADRO CC(C)Oc1cccc(CC(=O)NCC2CC[NH+](Cc3cccs3)CC2)c1 ZINC000061566955 823604315 /nfs/dbraw/zinc/60/43/15/823604315.db2.gz XIVBMHCXHSRAGK-UHFFFAOYSA-N 1 0 386.561 4.106 20 0 GIADRO CC(C)(C)n1cc(C[NH2+][C@@H]2CCc3n[nH]cc3C2)c(-c2ccccc2Cl)n1 ZINC000124534385 823604372 /nfs/dbraw/zinc/60/43/72/823604372.db2.gz AFNLSWUNXIHBQY-MRXNPFEDSA-N 1 0 383.927 4.329 20 0 GIADRO CC1(C)[C@H]([NH2+]CCC(=O)Nc2ccccc2Oc2ccccc2)[C@@H]2CCO[C@@H]21 ZINC000411789664 823604890 /nfs/dbraw/zinc/60/48/90/823604890.db2.gz GGORWBGKJRGGPE-WTOYTKOKSA-N 1 0 380.488 4.211 20 0 GIADRO Cc1c(F)cccc1NC(=O)CC[NH2+][C@@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000411791520 823605060 /nfs/dbraw/zinc/60/50/60/823605060.db2.gz NQSRCGRAEQUGNM-SFHVURJKSA-N 1 0 398.400 4.195 20 0 GIADRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@H]1C[C@]1(F)c1ccccc1 ZINC000411790839 823605218 /nfs/dbraw/zinc/60/52/18/823605218.db2.gz KGHNNRLGMLDKHW-KNQAVFIVSA-N 1 0 384.520 4.367 20 0 GIADRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@H]1C[C@@]1(F)c1ccccc1 ZINC000411790838 823605235 /nfs/dbraw/zinc/60/52/35/823605235.db2.gz KGHNNRLGMLDKHW-DENIHFKCSA-N 1 0 384.520 4.367 20 0 GIADRO Cc1c2ccccc2oc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000124548128 823605424 /nfs/dbraw/zinc/60/54/24/823605424.db2.gz LRAQYEMCNQWQRQ-SFTDATJTSA-N 1 0 397.563 4.150 20 0 GIADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cc2cc(Br)ccc2o1 ZINC000461260294 823607059 /nfs/dbraw/zinc/60/70/59/823607059.db2.gz DDVWALKEVZEWFP-HNNXBMFYSA-N 1 0 379.298 4.142 20 0 GIADRO O=C(c1sc2ccccc2c1Cl)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000061648516 823607412 /nfs/dbraw/zinc/60/74/12/823607412.db2.gz QSTOYDDYPXXECN-UHFFFAOYSA-N 1 0 392.952 4.129 20 0 GIADRO C[C@H](CCCc1cccnc1)[NH2+]CCC(=O)Nc1ccccc1Br ZINC000411816210 823607838 /nfs/dbraw/zinc/60/78/38/823607838.db2.gz HCOAJMZROUQTNU-OAHLLOKOSA-N 1 0 390.325 4.174 20 0 GIADRO Cc1cccc(COc2cccc(CC(=O)N(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)c2)c1 ZINC000124574990 823607784 /nfs/dbraw/zinc/60/77/84/823607784.db2.gz CPUWBFNCZWPZHG-DENIHFKCSA-N 1 0 380.532 4.058 20 0 GIADRO CC(C)OCCC[N@@H+]1CCC[C@@H]1c1nc(-c2ccccc2Br)no1 ZINC000190783505 823608627 /nfs/dbraw/zinc/60/86/27/823608627.db2.gz WJJSPYFPRBMIAE-MRXNPFEDSA-N 1 0 394.313 4.451 20 0 GIADRO Cc1cccc([C@H]2CCCN2C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)n1 ZINC000124594911 823609432 /nfs/dbraw/zinc/60/94/32/823609432.db2.gz QLRIAEDEDVPFMR-OAQYLSRUSA-N 1 0 382.508 4.090 20 0 GIADRO COc1ccc(C[NH+]2CCC([C@@H](O)c3ccccc3)CC2)cc1OC(F)F ZINC000124598024 823609764 /nfs/dbraw/zinc/60/97/64/823609764.db2.gz SSNYXEMAYNHAKS-FQEVSTJZSA-N 1 0 377.431 4.242 20 0 GIADRO C[C@H](c1ccco1)N(C)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000124597729 823609798 /nfs/dbraw/zinc/60/97/98/823609798.db2.gz YVYXSISXCJEEGM-OAHLLOKOSA-N 1 0 375.900 4.300 20 0 GIADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)COC(c1ccccc1)c1ccccc1 ZINC000461271591 823609885 /nfs/dbraw/zinc/60/98/85/823609885.db2.gz MDCODYKPZUDPFC-QFIPXVFZSA-N 1 0 380.532 4.125 20 0 GIADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1ccccc1SCc1cscn1 ZINC000461272321 823610008 /nfs/dbraw/zinc/61/00/08/823610008.db2.gz PHRGIHGZXCJKCD-QGZVFWFLSA-N 1 0 389.590 4.382 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCc2cc(F)cc(F)c2)cc1 ZINC000061735409 823610178 /nfs/dbraw/zinc/61/01/78/823610178.db2.gz DRQOUXJBKJXEAB-MRXNPFEDSA-N 1 0 387.474 4.339 20 0 GIADRO O=C(NCc1ccc(Oc2ccccc2)cc1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000411833416 823610270 /nfs/dbraw/zinc/61/02/70/823610270.db2.gz ITRBXGWMRGZRGC-FQEVSTJZSA-N 1 0 396.556 4.313 20 0 GIADRO COc1cc(-c2nc(C[N@@H+]3CCSC4(CCC4)CC3)cs2)ccc1O ZINC000411873169 823611648 /nfs/dbraw/zinc/61/16/48/823611648.db2.gz XMOVCTZUNNWLHK-UHFFFAOYSA-N 1 0 376.547 4.386 20 0 GIADRO O[C@H](c1ccccc1)C1CC[NH+](Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000124625122 823612171 /nfs/dbraw/zinc/61/21/71/823612171.db2.gz LJIIMBDMGKRRIT-HSZRJFAPSA-N 1 0 375.472 4.215 20 0 GIADRO CC[C@@H]([NH2+]CC(=O)N1CCC[C@@H]1c1ccc(OC)c(OC)c1)c1ccccc1 ZINC000411886689 823612803 /nfs/dbraw/zinc/61/28/03/823612803.db2.gz FIJQXVMHJKPLBU-WOJBJXKFSA-N 1 0 382.504 4.108 20 0 GIADRO CCN(Cc1c[nH]c2ccccc12)C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000190822526 823613200 /nfs/dbraw/zinc/61/32/00/823613200.db2.gz AMFQGKCZJCBWCT-MSOLQXFVSA-N 1 0 382.552 4.352 20 0 GIADRO CCCn1nc(C)c(C(=O)Nc2ccc3c(ccn3CC[NH+](CC)CC)c2)c1C ZINC000124642197 823613626 /nfs/dbraw/zinc/61/36/26/823613626.db2.gz BNFLGNVMPLDDGF-UHFFFAOYSA-N 1 0 395.551 4.459 20 0 GIADRO O=C(CC[N@@H+]1C[C@H](O)C[C@H]1c1ccccc1)Nc1cc(Cl)ccc1Cl ZINC000411956064 823616584 /nfs/dbraw/zinc/61/65/84/823616584.db2.gz VVPPCEMCTQLHDQ-QAPCUYQASA-N 1 0 379.287 4.130 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)c2nnc(-c3ccc(C)o3)n2Cc2cccs2)C[C@H]1C ZINC000461318700 823617120 /nfs/dbraw/zinc/61/71/20/823617120.db2.gz NUBGKTDLGZFFOS-WBVHZDCISA-N 1 0 399.564 4.265 20 0 GIADRO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000124686497 823617492 /nfs/dbraw/zinc/61/74/92/823617492.db2.gz LGUFGWCALQOPQF-FQEVSTJZSA-N 1 0 393.487 4.440 20 0 GIADRO CSc1ccccc1OC[C@@H](O)C[N@H+](Cc1sc(C)nc1C)C(C)C ZINC000411979816 823617657 /nfs/dbraw/zinc/61/76/57/823617657.db2.gz GDJNAYOBGNPNCD-INIZCTEOSA-N 1 0 380.579 4.132 20 0 GIADRO CCOc1ccc(C2(C[NH2+]Cc3nccn3-c3ccccc3)CCOCC2)cc1 ZINC000190863926 823617789 /nfs/dbraw/zinc/61/77/89/823617789.db2.gz JZEYIIIGXKWTOL-UHFFFAOYSA-N 1 0 391.515 4.109 20 0 GIADRO CCN(C(=O)[C@@H](C)[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1)C1CCCCC1 ZINC000411982105 823617804 /nfs/dbraw/zinc/61/78/04/823617804.db2.gz BZWVJGKPPPTRAV-KNQAVFIVSA-N 1 0 384.564 4.410 20 0 GIADRO CC(C)CNC(=O)c1cccc(C[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)c1 ZINC000411997428 823619980 /nfs/dbraw/zinc/61/99/80/823619980.db2.gz IRJHPJQQJZUYKB-QHCPKHFHSA-N 1 0 392.543 4.426 20 0 GIADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1oc(CC(C)C)nc1C ZINC000190892185 823620568 /nfs/dbraw/zinc/62/05/68/823620568.db2.gz TUOUZLNMNFQVJQ-IBGZPJMESA-N 1 0 399.535 4.014 20 0 GIADRO C[C@H](CNC(=O)NCc1csc2ccccc12)[N@@H+]1CCc2ccccc2C1 ZINC000061993010 823621278 /nfs/dbraw/zinc/62/12/78/823621278.db2.gz OZXVTMUBHIWYCH-MRXNPFEDSA-N 1 0 379.529 4.147 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)C[N@@H+](C)[C@@H]2CCCC[C@@H]2c2ccccc2)cc1 ZINC000412006842 823621738 /nfs/dbraw/zinc/62/17/38/823621738.db2.gz HXILXGLHXDDAGZ-FGZHOGPDSA-N 1 0 379.504 4.242 20 0 GIADRO COCCN(C)c1ccc(C[NH2+][C@@H](C)c2sc(-c3ccccc3)nc2C)cn1 ZINC000190901371 823621919 /nfs/dbraw/zinc/62/19/19/823621919.db2.gz VNVBSGGTDMNJKQ-INIZCTEOSA-N 1 0 396.560 4.447 20 0 GIADRO Cc1ccc(OC(F)F)c(C[NH2+][C@H](c2ccccc2)C2(CO)CCOCC2)c1 ZINC000412009622 823622279 /nfs/dbraw/zinc/62/22/79/823622279.db2.gz KABBOASQNWOTBE-HXUWFJFHSA-N 1 0 391.458 4.216 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1cccc(C(C)C)c1)c1ccsc1 ZINC000062110347 823623288 /nfs/dbraw/zinc/62/32/88/823623288.db2.gz NGTDRQOIGDYGIA-IBGZPJMESA-N 1 0 387.549 4.009 20 0 GIADRO Cc1c([C@@H](C)[NH2+]Cc2ccc(-n3cncn3)cc2)cnn1-c1cccc(Cl)c1 ZINC000124753030 823623349 /nfs/dbraw/zinc/62/33/49/823623349.db2.gz AJECLTYOAJOCTK-OAHLLOKOSA-N 1 0 392.894 4.266 20 0 GIADRO CC(C)c1cccc(C(C)C)c1NC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000062206167 823624313 /nfs/dbraw/zinc/62/43/13/823624313.db2.gz XUYMLUVDTKSIIL-UHFFFAOYSA-N 1 0 395.547 4.250 20 0 GIADRO CC[C@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000412055782 823624565 /nfs/dbraw/zinc/62/45/65/823624565.db2.gz MNJMMCCAHYRGSW-QZTJIDSGSA-N 1 0 379.342 4.377 20 0 GIADRO O=C(CCCOc1cccc(F)c1)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000062229674 823625116 /nfs/dbraw/zinc/62/51/16/823625116.db2.gz XZGJVJNVXTVLAT-HXUWFJFHSA-N 1 0 384.495 4.013 20 0 GIADRO CC(C)(C)OC(=O)CC[C@H]1CCC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000412064229 823625363 /nfs/dbraw/zinc/62/53/63/823625363.db2.gz JTMUTQWSIQYPEC-GOSISDBHSA-N 1 0 394.600 4.105 20 0 GIADRO Cc1ccc(NC(=O)[C@@H](C)[NH2+]CC2(c3ccccc3C)CCOCC2)cc1F ZINC000062240044 823625683 /nfs/dbraw/zinc/62/56/83/823625683.db2.gz VXCMLZDLSQDMHO-GOSISDBHSA-N 1 0 384.495 4.108 20 0 GIADRO Cc1ccccc1C1(C[NH2+][C@H](C)c2nnc(-c3ccccc3)o2)CCOCC1 ZINC000062240241 823625690 /nfs/dbraw/zinc/62/56/90/823625690.db2.gz XWIQRWVCPNUZBM-GOSISDBHSA-N 1 0 377.488 4.444 20 0 GIADRO C[C@H](C[NH2+]Cc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1)Cn1ccnc1 ZINC000062254796 823626762 /nfs/dbraw/zinc/62/67/62/823626762.db2.gz UBFBUYVPVLHPBB-DOMZBBRYSA-N 1 0 395.347 4.181 20 0 GIADRO CC[NH+](CC)[C@@H](C(=O)N1CC[C@@H](COCc2ccccc2)C1)c1ccccc1 ZINC000461385357 823627511 /nfs/dbraw/zinc/62/75/11/823627511.db2.gz QPGXQBGXHOAFAR-FYYLOGMGSA-N 1 0 380.532 4.135 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+][C@@H]1CCC[C@H](C(=O)NC(C)C)C1 ZINC000124805482 823627561 /nfs/dbraw/zinc/62/75/61/823627561.db2.gz JMZNGFULIFQYBT-QILLFSRXSA-N 1 0 386.565 4.248 20 0 GIADRO C[C@H]1C[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2cccc(O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000412118561 823627629 /nfs/dbraw/zinc/62/76/29/823627629.db2.gz DSJNRCHTXZPKPM-RBQRNVLBSA-N 1 0 378.516 4.007 20 0 GIADRO CC1CCN(c2cccc(NC(=O)C3CC[NH+]([C@H]4CCSC4)CC3)c2)CC1 ZINC000412126904 823628354 /nfs/dbraw/zinc/62/83/54/823628354.db2.gz PUWOIPKZEAKMIP-NRFANRHFSA-N 1 0 387.593 4.079 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C[C@@H](c2ccc(O)cc2)C2CC2)C1 ZINC000412136341 823629196 /nfs/dbraw/zinc/62/91/96/823629196.db2.gz ZNVJTTWVQLWGDQ-DNVFCKCGSA-N 1 0 384.564 4.389 20 0 GIADRO O=C(NCc1coc(-c2ccccc2)n1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412136271 823629247 /nfs/dbraw/zinc/62/92/47/823629247.db2.gz NJLZALSBDIHJPN-UHFFFAOYSA-N 1 0 375.472 4.258 20 0 GIADRO COc1cc(C[NH2+][C@@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)c2ccccc2n1 ZINC000124830979 823629537 /nfs/dbraw/zinc/62/95/37/823629537.db2.gz WIXHBQOKZZUTCZ-AWEZNQCLSA-N 1 0 375.472 4.324 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)CC[N@@H+]1C ZINC000124834240 823629695 /nfs/dbraw/zinc/62/96/95/823629695.db2.gz XABIKINVFLWLKP-JGVFFNPUSA-N 1 0 385.122 4.250 20 0 GIADRO Clc1sc(C[NH2+]Cc2ccc(-n3cncn3)cc2)cc1Br ZINC000190953832 823629834 /nfs/dbraw/zinc/62/98/34/823629834.db2.gz VMLPFYWYYRNHAS-UHFFFAOYSA-N 1 0 383.702 4.035 20 0 GIADRO C[C@H]1CCCN(C(=O)C2CC[NH+](CCOc3ccccc3C(F)(F)F)CC2)C1 ZINC000124836573 823629891 /nfs/dbraw/zinc/62/98/91/823629891.db2.gz ZSIYKIXRINZJRJ-INIZCTEOSA-N 1 0 398.469 4.055 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@@H](c1ccc(O)cc1)C1CC1 ZINC000412146229 823630132 /nfs/dbraw/zinc/63/01/32/823630132.db2.gz FHRRNFWEWYGQGG-GBXCKJPGSA-N 1 0 392.543 4.256 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000062369495 823630148 /nfs/dbraw/zinc/63/01/48/823630148.db2.gz XIKVUXYGNSDNBW-UHFFFAOYSA-N 1 0 397.853 4.223 20 0 GIADRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)Nc1ccccc1N1CCCCC1 ZINC000062373664 823630293 /nfs/dbraw/zinc/63/02/93/823630293.db2.gz QZKKKDBCKRFXLY-UHFFFAOYSA-N 1 0 398.526 4.412 20 0 GIADRO OCC[C@H]([NH2+]Cc1ccc(Oc2cc(F)cc(F)c2)cc1)C1CCOCC1 ZINC000461409226 823630797 /nfs/dbraw/zinc/63/07/97/823630797.db2.gz WBQCXUFFAGPILG-NRFANRHFSA-N 1 0 377.431 4.024 20 0 GIADRO CC(C)CCOc1ccc(NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)cc1 ZINC000412152777 823630939 /nfs/dbraw/zinc/63/09/39/823630939.db2.gz FSXBYEUURAWHJL-IBGZPJMESA-N 1 0 376.566 4.268 20 0 GIADRO O=C(Nc1ccccc1N1CCCC1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000062377074 823631057 /nfs/dbraw/zinc/63/10/57/823631057.db2.gz FEBLZIRIYCCGAK-UHFFFAOYSA-N 1 0 384.568 4.453 20 0 GIADRO COc1ccccc1[C@H](CC(C)C)NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412156707 823631310 /nfs/dbraw/zinc/63/13/10/823631310.db2.gz KBDINSAVUALZRN-QUCCMNQESA-N 1 0 390.593 4.116 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000412159473 823631661 /nfs/dbraw/zinc/63/16/61/823631661.db2.gz RNLZITQIEGGSAV-RBBKRZOGSA-N 1 0 392.543 4.312 20 0 GIADRO CC(C)(CNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)Cc1cccc(Cl)c1 ZINC000412164343 823631877 /nfs/dbraw/zinc/63/18/77/823631877.db2.gz DOYYDDCXPFSVFN-IBGZPJMESA-N 1 0 395.012 4.242 20 0 GIADRO CC[NH+](CC)CCOC1CCN(C(=O)c2cccc(Cc3ccccc3)c2)CC1 ZINC000412166115 823631941 /nfs/dbraw/zinc/63/19/41/823631941.db2.gz WSCLEOMTRBCVPY-UHFFFAOYSA-N 1 0 394.559 4.240 20 0 GIADRO Cc1ccc(CCCC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000461421465 823632907 /nfs/dbraw/zinc/63/29/07/823632907.db2.gz COWHWOYTQAJGML-LEWJYISDSA-N 1 0 382.573 4.360 20 0 GIADRO COC(=O)C[C@@](C)([NH2+]Cc1ccc(-c2ccccc2OC)cc1)c1ccncc1 ZINC000190974460 823633165 /nfs/dbraw/zinc/63/31/65/823633165.db2.gz OVXDIKICZZPMOB-XMMPIXPASA-N 1 0 390.483 4.325 20 0 GIADRO CCOc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)cc1F ZINC000062404720 823633238 /nfs/dbraw/zinc/63/32/38/823633238.db2.gz WWRPKEIENJANGI-UHFFFAOYSA-N 1 0 395.425 4.098 20 0 GIADRO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000412181509 823633379 /nfs/dbraw/zinc/63/33/79/823633379.db2.gz YIFNQQSZVXQFIG-QPPBQGQZSA-N 1 0 398.616 4.101 20 0 GIADRO COc1c(Cl)cccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000062407438 823633462 /nfs/dbraw/zinc/63/34/62/823633462.db2.gz VAUNPQZUEGVOKN-UHFFFAOYSA-N 1 0 397.853 4.223 20 0 GIADRO CC(C)(C)[C@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)c1ccc(F)cc1F ZINC000412184825 823633794 /nfs/dbraw/zinc/63/37/94/823633794.db2.gz OUHBJEIBNXMDFD-QFBILLFUSA-N 1 0 396.547 4.386 20 0 GIADRO C[C@@H]1CN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)C[C@H](c2ccsc2)O1 ZINC000412185713 823633803 /nfs/dbraw/zinc/63/38/03/823633803.db2.gz MQLJZFMWSQLDLR-DYESRHJHSA-N 1 0 384.545 4.336 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1ccc(OC(F)F)cc1OC(F)F ZINC000124887064 823633944 /nfs/dbraw/zinc/63/39/44/823633944.db2.gz HVZFKLZBOFIDQD-ZUZCIYMTSA-N 1 0 391.336 4.413 20 0 GIADRO CC(C)(C)c1ncc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)s1 ZINC000461427534 823634481 /nfs/dbraw/zinc/63/44/81/823634481.db2.gz LTZWIWBTZBUZRD-MSOLQXFVSA-N 1 0 383.561 4.035 20 0 GIADRO O=C(COc1ccc2oc3c(c2c1)CCCC3)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000461427202 823634506 /nfs/dbraw/zinc/63/45/06/823634506.db2.gz PTKMKDIKRKMUGR-GOSISDBHSA-N 1 0 396.531 4.025 20 0 GIADRO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]C[C@@H](c1ccc(C)cc1)N(C)C ZINC000062423322 823634931 /nfs/dbraw/zinc/63/49/31/823634931.db2.gz MYZVPAXBDZQJBZ-QHCPKHFHSA-N 1 0 380.511 4.329 20 0 GIADRO Cc1cc(C[NH2+]C[C@@H](C)N2CCC(C)CC2)cc(C)c1OCc1ccccn1 ZINC000062423460 823634946 /nfs/dbraw/zinc/63/49/46/823634946.db2.gz FCKQFSQYNNFACZ-OAQYLSRUSA-N 1 0 381.564 4.487 20 0 GIADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)C[C@@H](c2ccc(O)cc2)C2CC2)CC1 ZINC000412199777 823634921 /nfs/dbraw/zinc/63/49/21/823634921.db2.gz HMJXIDCDLYAOLR-UZUQRXQVSA-N 1 0 393.531 4.013 20 0 GIADRO O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N1CCCC[C@@H]1c1ccc(F)cc1F ZINC000412199398 823635000 /nfs/dbraw/zinc/63/50/00/823635000.db2.gz OOQRAVADMIUOCM-FXAWDEMLSA-N 1 0 394.531 4.236 20 0 GIADRO Cc1cc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)nc2ccccc12 ZINC000461429882 823635120 /nfs/dbraw/zinc/63/51/20/823635120.db2.gz PDLXNLDDKIVXQK-RTWAWAEBSA-N 1 0 385.511 4.137 20 0 GIADRO C[C@H](OC1CCCCCC1)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461429945 823635321 /nfs/dbraw/zinc/63/53/21/823635321.db2.gz PPGUACJQRNENCE-NNWRFLSQSA-N 1 0 384.564 4.095 20 0 GIADRO Cc1nn(-c2cccc(F)c2)cc1C(=O)Nc1cc(C[NH+]2CCCC2)ccc1C ZINC000412202991 823635344 /nfs/dbraw/zinc/63/53/44/823635344.db2.gz JSPUHIBDWCDTDS-UHFFFAOYSA-N 1 0 392.478 4.476 20 0 GIADRO C[C@H](C[NH2+]Cc1cn(C(C)(C)C)nn1)Sc1ccc(Br)cc1 ZINC000190991022 823635809 /nfs/dbraw/zinc/63/58/09/823635809.db2.gz NVRHXYFLQMLMQN-GFCCVEGCSA-N 1 0 383.359 4.066 20 0 GIADRO O=C(c1cc(F)c(F)cc1Cl)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461431360 823635757 /nfs/dbraw/zinc/63/57/57/823635757.db2.gz RSABODAHEMCWCE-HZPDHXFCSA-N 1 0 390.861 4.212 20 0 GIADRO CCCCc1ccc(C(=O)CCC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000461435585 823636743 /nfs/dbraw/zinc/63/67/43/823636743.db2.gz YMBCVVIYNPNJRC-OAQYLSRUSA-N 1 0 384.564 4.327 20 0 GIADRO O=C(CCc1ccccc1Cl)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461435770 823636927 /nfs/dbraw/zinc/63/69/27/823636927.db2.gz ZROCJVFCZGHPMA-RTWAWAEBSA-N 1 0 382.935 4.253 20 0 GIADRO O=C(CCc1ccccc1Cl)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461435769 823637042 /nfs/dbraw/zinc/63/70/42/823637042.db2.gz ZROCJVFCZGHPMA-NHCUHLMSSA-N 1 0 382.935 4.253 20 0 GIADRO O=C(Cc1ccc(Cl)c(F)c1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461436655 823637235 /nfs/dbraw/zinc/63/72/35/823637235.db2.gz PVGJLIMTXZVFNU-OALUTQOASA-N 1 0 386.898 4.002 20 0 GIADRO COc1ccc([C@H](NC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)C2CC2)cc1 ZINC000062476918 823637352 /nfs/dbraw/zinc/63/73/52/823637352.db2.gz SOAWWQNOFLHZKF-JOCHJYFZSA-N 1 0 399.510 4.059 20 0 GIADRO O=C(c1ccccc1C(F)(F)F)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461437831 823637417 /nfs/dbraw/zinc/63/74/17/823637417.db2.gz VSDUQLSRRBTBQM-ZWKOTPCHSA-N 1 0 388.433 4.300 20 0 GIADRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)NCc1cccc(F)c1 ZINC000062478362 823637630 /nfs/dbraw/zinc/63/76/30/823637630.db2.gz KJHHCXOAYYWNOH-UHFFFAOYSA-N 1 0 397.416 4.118 20 0 GIADRO C#CCN(Cc1ccc(F)cc1)C(=O)NCc1cccc(C[NH+](CC)CC)c1 ZINC000062485111 823638087 /nfs/dbraw/zinc/63/80/87/823638087.db2.gz QTLXYMSKUUXXME-UHFFFAOYSA-N 1 0 381.495 4.013 20 0 GIADRO Cc1cc([C@@H](C)NC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)c(C)s1 ZINC000062486014 823638180 /nfs/dbraw/zinc/63/81/80/823638180.db2.gz VQPZFJHGLHPIEH-OAHLLOKOSA-N 1 0 377.529 4.338 20 0 GIADRO CC(C)(C)c1ccc(OCCCC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000461441676 823638296 /nfs/dbraw/zinc/63/82/96/823638296.db2.gz GNFQRLKINGFSKV-FQEVSTJZSA-N 1 0 386.580 4.478 20 0 GIADRO C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000461442454 823638467 /nfs/dbraw/zinc/63/84/67/823638467.db2.gz JOMLOQICOLCQDQ-CABCVRRESA-N 1 0 385.335 4.095 20 0 GIADRO C[C@H](CC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(F)cc1F ZINC000124935619 823638546 /nfs/dbraw/zinc/63/85/46/823638546.db2.gz RHCMGQYFZAACJD-MJGOQNOKSA-N 1 0 386.486 4.139 20 0 GIADRO C[C@@H](CC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(F)cc1F ZINC000124935437 823638575 /nfs/dbraw/zinc/63/85/75/823638575.db2.gz RHCMGQYFZAACJD-HKUYNNGSSA-N 1 0 386.486 4.139 20 0 GIADRO O=C(CCc1ccc(Cl)cc1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461443262 823638668 /nfs/dbraw/zinc/63/86/68/823638668.db2.gz NESFGNHMOQMTRG-LEWJYISDSA-N 1 0 382.935 4.253 20 0 GIADRO C[C@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)c1c(F)cccc1F ZINC000461444521 823638810 /nfs/dbraw/zinc/63/88/10/823638810.db2.gz IYLINSRBPYHHKJ-UHOSZYNNSA-N 1 0 384.470 4.049 20 0 GIADRO O=C(N[C@@H]1CC=C(c2ccc(F)cc2)CC1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412242244 823639031 /nfs/dbraw/zinc/63/90/31/823639031.db2.gz MCXMLAHTESSIJP-NHCUHLMSSA-N 1 0 388.552 4.095 20 0 GIADRO CCOC1CC(CC[NH2+][C@@H](C(=O)Nc2ccc(OC)cc2)c2ccccc2)C1 ZINC000191025590 823639364 /nfs/dbraw/zinc/63/93/64/823639364.db2.gz NEOARTJKWABZCL-JHJOLFGTSA-N 1 0 382.504 4.170 20 0 GIADRO C[C@H](CCc1cccc(F)c1)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461447271 823639443 /nfs/dbraw/zinc/63/94/43/823639443.db2.gz FRBAJPGATFGGFM-OIBXWCBGSA-N 1 0 394.534 4.375 20 0 GIADRO CC(C)(C)Oc1c(F)cc(NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)cc1F ZINC000412248793 823639730 /nfs/dbraw/zinc/63/97/30/823639730.db2.gz SATLNFYVKCRYDR-OAHLLOKOSA-N 1 0 398.519 4.298 20 0 GIADRO CCNC(=O)COc1cccc(C[NH2+][C@H](C)c2cccc(-c3ccncc3)c2)c1 ZINC000124949777 823639725 /nfs/dbraw/zinc/63/97/25/823639725.db2.gz AGDHLKSQQSQUPV-GOSISDBHSA-N 1 0 389.499 4.114 20 0 GIADRO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000412251237 823639904 /nfs/dbraw/zinc/63/99/04/823639904.db2.gz NEIRGAPONWTWEI-JJJJLYANSA-N 1 0 382.935 4.470 20 0 GIADRO O=C(N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)C1(Cc2ccccc2)CCC1 ZINC000461451375 823640276 /nfs/dbraw/zinc/64/02/76/823640276.db2.gz RWWVZYXUPJBIGA-RPWUZVMVSA-N 1 0 388.555 4.380 20 0 GIADRO O=C(N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)C1(Cc2ccccc2)CCC1 ZINC000461451376 823640304 /nfs/dbraw/zinc/64/03/04/823640304.db2.gz RWWVZYXUPJBIGA-ZEQRLZLVSA-N 1 0 388.555 4.380 20 0 GIADRO C[C@H](NC(=O)C[C@@H](c1ccc(O)cc1)C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000412256416 823640317 /nfs/dbraw/zinc/64/03/17/823640317.db2.gz QXYICULVFRSXEB-KUWBRRTOSA-N 1 0 392.543 4.303 20 0 GIADRO Cc1cc(C(F)(F)F)ccc1CNc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000191032245 823640369 /nfs/dbraw/zinc/64/03/69/823640369.db2.gz RQMKXGLUWVQEAL-UHFFFAOYSA-N 1 0 393.409 4.095 20 0 GIADRO O=C(N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)C1(Cc2ccccc2)CCC1 ZINC000461451373 823640388 /nfs/dbraw/zinc/64/03/88/823640388.db2.gz RWWVZYXUPJBIGA-BJKOFHAPSA-N 1 0 388.555 4.380 20 0 GIADRO C[C@H](SCc1ccccc1)C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461452570 823640511 /nfs/dbraw/zinc/64/05/11/823640511.db2.gz VOTSZHZXVYZRQG-WWPVKYPJSA-N 1 0 394.584 4.289 20 0 GIADRO O=C(c1cc2ccc(Cl)cc2[nH]1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461453270 823640651 /nfs/dbraw/zinc/64/06/51/823640651.db2.gz ZKPAISRMJCCWGR-RTBURBONSA-N 1 0 393.918 4.415 20 0 GIADRO Cc1cc2[nH]c(C(=O)N3C[C@@H]4C[N@@H+](Cc5ccccc5)CC[C@@H]4C3)cc2c(C)c1 ZINC000461453445 823640929 /nfs/dbraw/zinc/64/09/29/823640929.db2.gz XTLUMKXZCDAKSD-RTWAWAEBSA-N 1 0 387.527 4.379 20 0 GIADRO O=C(N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412262880 823641274 /nfs/dbraw/zinc/64/12/74/823641274.db2.gz YGOYCTKLVVUISL-XZOQPEGZSA-N 1 0 396.506 4.462 20 0 GIADRO Brc1ccc(C[NH2+]CCCc2nc(-c3ccncc3)cs2)o1 ZINC000191043655 823641605 /nfs/dbraw/zinc/64/16/05/823641605.db2.gz JRKBFJPOWWKART-UHFFFAOYSA-N 1 0 378.295 4.283 20 0 GIADRO Cc1cc(C(F)(F)F)ccc1C[NH+]1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000191054228 823643072 /nfs/dbraw/zinc/64/30/72/823643072.db2.gz ZUZFOJMATRDKRF-OAHLLOKOSA-N 1 0 382.470 4.484 20 0 GIADRO CC(C)COc1ccccc1CNC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000062646825 823643164 /nfs/dbraw/zinc/64/31/64/823643164.db2.gz LAQFUOSNKDOEAL-IBGZPJMESA-N 1 0 375.557 4.175 20 0 GIADRO CC[NH+](CC)CCOc1ccc(NC(=O)c2ccc(C(F)(F)F)nc2)cc1 ZINC000125003527 823644163 /nfs/dbraw/zinc/64/41/63/823644163.db2.gz LXXAMLUKIJZHLT-UHFFFAOYSA-N 1 0 381.398 4.073 20 0 GIADRO O=C(Nc1ncc(-c2ccc(F)cc2)s1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412299092 823644355 /nfs/dbraw/zinc/64/43/55/823644355.db2.gz HPSDPYXJEADAMC-INIZCTEOSA-N 1 0 391.537 4.105 20 0 GIADRO O=C(NC1CC(F)(c2cccc(Cl)c2)C1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412304300 823644708 /nfs/dbraw/zinc/64/47/08/823644708.db2.gz HEFVSSVRPZEMNF-FDYSRKEFSA-N 1 0 396.959 4.001 20 0 GIADRO CCn1ccnc1[C@@H]1CCCCN1C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412306094 823644875 /nfs/dbraw/zinc/64/48/75/823644875.db2.gz DVOIOVBEPIFZMV-NRFANRHFSA-N 1 0 380.536 4.256 20 0 GIADRO O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412315271 823645849 /nfs/dbraw/zinc/64/58/49/823645849.db2.gz TYHMGFGBZGYDOP-UWWQBHOKSA-N 1 0 399.387 4.183 20 0 GIADRO CC[C@@H]([NH2+]C[C@@H](O)c1cc(OC)ccc1OC)c1ccc(OC(F)F)cc1 ZINC000125033084 823646860 /nfs/dbraw/zinc/64/68/60/823646860.db2.gz SAWOSLXSDREPSK-QZTJIDSGSA-N 1 0 381.419 4.080 20 0 GIADRO C[C@@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000191087775 823647312 /nfs/dbraw/zinc/64/73/12/823647312.db2.gz GVHOBURVXLFPRZ-QFBILLFUSA-N 1 0 397.485 4.469 20 0 GIADRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)C1(c2ccc(F)cc2)CCC1 ZINC000063080503 823650415 /nfs/dbraw/zinc/65/04/15/823650415.db2.gz JQUNMDDUBBOSLP-UHFFFAOYSA-N 1 0 380.507 4.276 20 0 GIADRO Cc1ccc(OCCCC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000063081297 823650500 /nfs/dbraw/zinc/65/05/00/823650500.db2.gz VJMMIYFIBNGTGS-UHFFFAOYSA-N 1 0 380.532 4.182 20 0 GIADRO Cc1cccc(OCCCC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000063081298 823650526 /nfs/dbraw/zinc/65/05/26/823650526.db2.gz SFHBDIRUAYDVKV-UHFFFAOYSA-N 1 0 380.532 4.182 20 0 GIADRO Cc1nc(NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)ccc1-c1ccccc1 ZINC000412371284 823650595 /nfs/dbraw/zinc/65/05/95/823650595.db2.gz YUOYBBCQVSKAQO-LJQANCHMSA-N 1 0 381.545 4.213 20 0 GIADRO CCCc1c(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)[nH]c(C)c1C(C)=O ZINC000063081629 823650739 /nfs/dbraw/zinc/65/07/39/823650739.db2.gz HJKQGQKJRXYUQD-UHFFFAOYSA-N 1 0 395.547 4.120 20 0 GIADRO C[N@H+](CCNC(=O)CS[C@H](c1ccccc1)c1ccc(Cl)cc1)C1CC1 ZINC000063117673 823652039 /nfs/dbraw/zinc/65/20/39/823652039.db2.gz AQYHUGRAMOIQHX-OAQYLSRUSA-N 1 0 388.964 4.373 20 0 GIADRO S=C(Nc1cccc2cccnc21)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000063144276 823652517 /nfs/dbraw/zinc/65/25/17/823652517.db2.gz ZKVXTKKBAXNZRN-UHFFFAOYSA-N 1 0 376.529 4.186 20 0 GIADRO CCOc1ccc([C@@H](C)NC(=S)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000063146108 823652792 /nfs/dbraw/zinc/65/27/92/823652792.db2.gz LLPCFXNIYCNIRA-GOSISDBHSA-N 1 0 397.588 4.275 20 0 GIADRO Cc1ccccc1-n1ncc(C(=O)N2CCC([NH+]3CCCC3)CC2)c1C(C)C ZINC000191139065 823652900 /nfs/dbraw/zinc/65/29/00/823652900.db2.gz YUGCBFUBHPYAKL-UHFFFAOYSA-N 1 0 380.536 4.005 20 0 GIADRO CN(CCCc1ccccc1)C(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000063148866 823652953 /nfs/dbraw/zinc/65/29/53/823652953.db2.gz FSYCBURBHJUXJF-UHFFFAOYSA-N 1 0 381.589 4.090 20 0 GIADRO CC(C)(CNC(=S)NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000063148199 823653005 /nfs/dbraw/zinc/65/30/05/823653005.db2.gz NKKIODUNOMQVQA-UHFFFAOYSA-N 1 0 381.589 4.093 20 0 GIADRO Cc1c([C@H](C)[NH2+]C[C@@H](c2ccccc2Cl)N2CCOCC2)cnn1C(C)C ZINC000191144215 823653445 /nfs/dbraw/zinc/65/34/45/823653445.db2.gz DUPJZXZLARDNHM-KKSFZXQISA-N 1 0 390.959 4.150 20 0 GIADRO CSC1(CNC(=O)N[C@@H](C)c2ccc(F)c3ccccc32)CC[NH+](C)CC1 ZINC000461523260 823653631 /nfs/dbraw/zinc/65/36/31/823653631.db2.gz UIDBDSLAQZUBLN-HNNXBMFYSA-N 1 0 389.540 4.167 20 0 GIADRO CN(C)C(=O)Nc1cccc(NC(=O)c2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000412405549 823653871 /nfs/dbraw/zinc/65/38/71/823653871.db2.gz XPLJOHLBLLGKEL-UHFFFAOYSA-N 1 0 380.492 4.018 20 0 GIADRO COc1ccccc1Oc1ccc(NC(=S)NC2CC[NH+](C)CC2)cc1F ZINC000063173005 823653889 /nfs/dbraw/zinc/65/38/89/823653889.db2.gz YJDVBSZJIVEKDJ-UHFFFAOYSA-N 1 0 389.496 4.007 20 0 GIADRO O=C(N[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412416912 823654366 /nfs/dbraw/zinc/65/43/66/823654366.db2.gz YKKOYAUUCZSZNW-MISYRCLQSA-N 1 0 392.996 4.310 20 0 GIADRO Cc1cc(NC(=O)C[C@@H](c2cccs2)n2cccc2)ccc1OCC[NH+](C)C ZINC000412417516 823654442 /nfs/dbraw/zinc/65/44/42/823654442.db2.gz NDNOMXOLDOGORO-IBGZPJMESA-N 1 0 397.544 4.417 20 0 GIADRO Fc1ccc(NC(=S)NCC2CC[NH+](Cc3ccccc3)CC2)c(F)c1 ZINC000063179691 823654475 /nfs/dbraw/zinc/65/44/75/823654475.db2.gz DEGGOMKNOUZVOO-UHFFFAOYSA-N 1 0 375.488 4.163 20 0 GIADRO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000412430612 823654938 /nfs/dbraw/zinc/65/49/38/823654938.db2.gz VOEUHBZCYLTLHM-NHCUHLMSSA-N 1 0 384.589 4.348 20 0 GIADRO COc1ccc(-c2nc(Cc3noc([C@H](C)[N@H+]4[C@H](C)CC[C@@H]4C)n3)co2)cc1 ZINC000191162729 823655096 /nfs/dbraw/zinc/65/50/96/823655096.db2.gz TVHQQQUOXWYILJ-ZNMIVQPWSA-N 1 0 382.464 4.258 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)[C@H](C)[C@H](C)NC(=O)OC(C)(C)C)c1 ZINC000191169901 823655815 /nfs/dbraw/zinc/65/58/15/823655815.db2.gz ARVCOVMVWSGNQV-CVEARBPZSA-N 1 0 377.529 4.016 20 0 GIADRO Cc1c2ccccc2oc1[C@H](C)NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000125160391 823655877 /nfs/dbraw/zinc/65/58/77/823655877.db2.gz ZXMUUFQVFYSNMF-QKLQHJQFSA-N 1 0 381.520 4.461 20 0 GIADRO COCCN(C)c1ccc(C[NH2+][C@@H](Cc2ccccc2)c2ccccc2F)cn1 ZINC000191172005 823656180 /nfs/dbraw/zinc/65/61/80/823656180.db2.gz OTTOZUSEWKOYTI-QHCPKHFHSA-N 1 0 393.506 4.377 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1)c1csc(Cl)c1 ZINC000191184849 823657277 /nfs/dbraw/zinc/65/72/77/823657277.db2.gz XEFPYMADZDTMSI-STQMWFEESA-N 1 0 378.925 4.471 20 0 GIADRO CC[N@H+](Cc1c[nH]c2ccccc12)Cc1ccccc1OCC(=O)NCC1CC1 ZINC000191189109 823657763 /nfs/dbraw/zinc/65/77/63/823657763.db2.gz NVBQJDVUTOVFEV-UHFFFAOYSA-N 1 0 391.515 4.095 20 0 GIADRO Cc1c([C@@H](C)[NH2+]Cc2ccc(OCCOc3ccccc3)nc2)cnn1C(C)C ZINC000191189657 823657790 /nfs/dbraw/zinc/65/77/90/823657790.db2.gz LNFBWSNUOHXPNJ-GOSISDBHSA-N 1 0 394.519 4.476 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)C3(c4cccc(C)c4)CC3)CC2)cc1 ZINC000063262361 823657822 /nfs/dbraw/zinc/65/78/22/823657822.db2.gz VKSJUSJKQTVMIE-UHFFFAOYSA-N 1 0 392.543 4.064 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)/C=C/c3ccccc3Cl)CC2)cc1 ZINC000063263757 823658026 /nfs/dbraw/zinc/65/80/26/823658026.db2.gz HSHOQUJRJMFGFZ-DHZHZOJOSA-N 1 0 398.934 4.390 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)c3cc(C)n(C4CC4)c3C)CC2)cc1 ZINC000063263283 823658077 /nfs/dbraw/zinc/65/80/77/823658077.db2.gz NVAFSSXKERDYQA-UHFFFAOYSA-N 1 0 395.547 4.090 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)c3cc(C)n(C(C)C)c3C)CC2)cc1 ZINC000063264004 823658197 /nfs/dbraw/zinc/65/81/97/823658197.db2.gz HPHKTTFJWDDXPJ-UHFFFAOYSA-N 1 0 397.563 4.336 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)CCCSC(C)(C)C)c(C)c2)CC1 ZINC000125200802 823658819 /nfs/dbraw/zinc/65/88/19/823658819.db2.gz YZSVZYJGRMHLNG-UHFFFAOYSA-N 1 0 377.598 4.387 20 0 GIADRO Cc1c([C@H](C)[NH2+]C[C@H](O)COc2cccc(C(F)(F)F)c2)cnn1C(C)(C)C ZINC000191209926 823659440 /nfs/dbraw/zinc/65/94/40/823659440.db2.gz QECITTMKGBEZJQ-BBRMVZONSA-N 1 0 399.457 4.056 20 0 GIADRO CS(=O)(=O)c1ccc(OCCC[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)cc1 ZINC000063286078 823660031 /nfs/dbraw/zinc/66/00/31/823660031.db2.gz OFMZCEFMURMHCF-HXUWFJFHSA-N 1 0 393.936 4.253 20 0 GIADRO CC[C@@H]1CC[N@H+](CC(=O)N(C)[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)C1 ZINC000125236232 823661209 /nfs/dbraw/zinc/66/12/09/823661209.db2.gz JPTPRALFKBHWAR-RBUKOAKNSA-N 1 0 393.531 4.190 20 0 GIADRO CCCCNC(=O)C1CCN(Cc2cc(Br)c(Cl)s2)CC1 ZINC000191233993 823661642 /nfs/dbraw/zinc/66/16/42/823661642.db2.gz JCOKSRKDWFCGRP-UHFFFAOYSA-N 1 0 393.778 4.292 20 0 GIADRO Cc1cccn2cc(COc3ccc(C[NH2+]Cc4ccccc4CO)cc3)nc12 ZINC000063319069 823661977 /nfs/dbraw/zinc/66/19/77/823661977.db2.gz HEQFFOHXEOUKRO-UHFFFAOYSA-N 1 0 387.483 4.004 20 0 GIADRO Cc1c([C@H](C)[NH2+]C[C@H](c2ccc(Cl)cc2)N2CCOCC2)cnn1C(C)C ZINC000191237160 823661970 /nfs/dbraw/zinc/66/19/70/823661970.db2.gz UULQUGSLJSBVNA-HRAATJIYSA-N 1 0 390.959 4.150 20 0 GIADRO C[NH+](C)Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)F)c(F)c1 ZINC000412555890 823661966 /nfs/dbraw/zinc/66/19/66/823661966.db2.gz CSJDWMDXZJGNOB-HUUCEWRRSA-N 1 0 378.394 4.231 20 0 GIADRO C[NH+](C)Cc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C2CC2)c(F)c1 ZINC000412559728 823662214 /nfs/dbraw/zinc/66/22/14/823662214.db2.gz OKXZYGLXAOGOTI-UHFFFAOYSA-N 1 0 378.451 4.203 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)c1ccc(C(C)(C)C)cc1)c1ccc(N2CCOC2=O)cc1 ZINC000125248985 823662247 /nfs/dbraw/zinc/66/22/47/823662247.db2.gz DSPPSJLZNXKTAV-KKSFZXQISA-N 1 0 382.504 4.325 20 0 GIADRO FC(F)(F)c1cccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)c1 ZINC000125249929 823662253 /nfs/dbraw/zinc/66/22/53/823662253.db2.gz BJSPQDNVVXLPDL-MRXNPFEDSA-N 1 0 378.442 4.403 20 0 GIADRO C[C@@H]([NH2+]C[C@H](O)c1ccc(C(C)(C)C)cc1)c1ccc(N2CCOC2=O)cc1 ZINC000125249226 823662297 /nfs/dbraw/zinc/66/22/97/823662297.db2.gz DSPPSJLZNXKTAV-IERDGZPVSA-N 1 0 382.504 4.325 20 0 GIADRO C[C@@H](Oc1cccc(Br)c1)C(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000412560880 823662400 /nfs/dbraw/zinc/66/24/00/823662400.db2.gz RGQOYVNYSOEYCU-GFCCVEGCSA-N 1 0 395.272 4.056 20 0 GIADRO O=C(OC[C@H]1CCC[N@@H+](Cc2cc(F)ccc2F)C1)c1csc(C2CC2)n1 ZINC000125260447 823663022 /nfs/dbraw/zinc/66/30/22/823663022.db2.gz DFDQRHOCCBQKQR-ZDUSSCGKSA-N 1 0 392.471 4.368 20 0 GIADRO CCOc1cccc([C@@H](C)[NH2+][C@H](C)c2cccc(N3CCCS3(=O)=O)c2)c1 ZINC000125262608 823663110 /nfs/dbraw/zinc/66/31/10/823663110.db2.gz TWNYGBUXSYABCQ-IAGOWNOFSA-N 1 0 388.533 4.037 20 0 GIADRO CC[NH+]1CCC(N(C)Cc2cc(OC)c(OCc3ccccc3)c(OC)c2)CC1 ZINC000125261334 823663204 /nfs/dbraw/zinc/66/32/04/823663204.db2.gz LRJMRGJQBUNFJA-UHFFFAOYSA-N 1 0 398.547 4.199 20 0 GIADRO CCCCC[C@@H](C)NC(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000063331076 823663303 /nfs/dbraw/zinc/66/33/03/823663303.db2.gz MQFSBIYDMDTTPL-GOSISDBHSA-N 1 0 375.557 4.175 20 0 GIADRO O=C(NC1CC[NH+](CC2CCCC2)CC1)N[C@@H]1CCSc2ccc(F)cc21 ZINC000063332878 823663495 /nfs/dbraw/zinc/66/34/95/823663495.db2.gz WZXVLGXNOUILBR-LJQANCHMSA-N 1 0 391.556 4.316 20 0 GIADRO COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@H](C)c2cnn(C(C)C)c2C)C1 ZINC000191255856 823664025 /nfs/dbraw/zinc/66/40/25/823664025.db2.gz NMRABKKXRUETNO-PBHICJAKSA-N 1 0 376.932 4.364 20 0 GIADRO CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3ccc(OCC4CC4)cc3)ccc2NC1=O ZINC000191258831 823664400 /nfs/dbraw/zinc/66/44/00/823664400.db2.gz HNQZRTOYCFUBLM-BTYIYWSLSA-N 1 0 380.488 4.436 20 0 GIADRO Cc1ccc(-n2cccn2)cc1NC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000191260938 823664573 /nfs/dbraw/zinc/66/45/73/823664573.db2.gz XOZSWZKNGKSXRV-HXUWFJFHSA-N 1 0 393.491 4.122 20 0 GIADRO Cc1noc(C)c1[C@H](C)C(=O)OC[C@H]1CCC[N@H+](Cc2cc(F)ccc2F)C1 ZINC000125282183 823664803 /nfs/dbraw/zinc/66/48/03/823664803.db2.gz HSEMDRZWWCZXFC-BBRMVZONSA-N 1 0 392.446 4.129 20 0 GIADRO O=C(Nc1cccc(Br)c1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000063388433 823666307 /nfs/dbraw/zinc/66/63/07/823666307.db2.gz VWVILXIIVSISRT-UHFFFAOYSA-N 1 0 380.330 4.225 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)Nc3cc(F)ccc3F)CC2)cc1 ZINC000063388772 823666373 /nfs/dbraw/zinc/66/63/73/823666373.db2.gz BEQZDEGUNWUAJV-UHFFFAOYSA-N 1 0 389.446 4.007 20 0 GIADRO Cc1c([C@@H](C)[NH2+]CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cnn1C(C)C ZINC000191276509 823666441 /nfs/dbraw/zinc/66/64/41/823666441.db2.gz BTQQSIQWRVYVAU-AEFFLSMTSA-N 1 0 378.561 4.460 20 0 GIADRO CCOc1cccc([C@H](C)NC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000063404899 823668773 /nfs/dbraw/zinc/66/87/73/823668773.db2.gz QONTYTFHZOMRGF-FXAWDEMLSA-N 1 0 385.508 4.266 20 0 GIADRO COc1ccc2ccccc2c1CNC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000063407787 823668858 /nfs/dbraw/zinc/66/88/58/823668858.db2.gz PHZBTEZYTBXKJU-UHFFFAOYSA-N 1 0 395.547 4.302 20 0 GIADRO O=C(NC1CC[NH+](CC2CCCC2)CC1)N(Cc1ccco1)Cc1ccco1 ZINC000063407902 823669034 /nfs/dbraw/zinc/66/90/34/823669034.db2.gz FFJXWHXAHZVIST-UHFFFAOYSA-N 1 0 385.508 4.239 20 0 GIADRO FC(F)(F)c1nnc(N2CCC[N@@H+]([C@H]3CCCc4ccccc43)CC2)s1 ZINC000191306714 823669724 /nfs/dbraw/zinc/66/97/24/823669724.db2.gz ADEDNJXJEOEZDM-HNNXBMFYSA-N 1 0 382.455 4.147 20 0 GIADRO CC[NH+](CC)[C@H](C(=O)NC[C@@H](C)c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000125365891 823670839 /nfs/dbraw/zinc/67/08/39/823670839.db2.gz DCBXHOSQFXMUBW-XLIONFOSSA-N 1 0 392.503 4.039 20 0 GIADRO CC[NH+](CC)[C@@H](C(=O)NC[C@H](C)c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000125366655 823671046 /nfs/dbraw/zinc/67/10/46/823671046.db2.gz DCBXHOSQFXMUBW-FXAWDEMLSA-N 1 0 392.503 4.039 20 0 GIADRO Cc1c2cc(F)ccc2oc1CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000125425278 823675149 /nfs/dbraw/zinc/67/51/49/823675149.db2.gz FPIKMYIBHULORI-HNAYVOBHSA-N 1 0 385.483 4.039 20 0 GIADRO Cc1ccc(Sc2ncccc2C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)cc1C ZINC000063490076 823675684 /nfs/dbraw/zinc/67/56/84/823675684.db2.gz DFXFRYPTAANDGZ-SFHVURJKSA-N 1 0 383.561 4.310 20 0 GIADRO COc1ccccc1NC(=O)c1ccc(NC(=O)CC[N@H+](C(C)C)C2CC2)cc1 ZINC000063492978 823675864 /nfs/dbraw/zinc/67/58/64/823675864.db2.gz DZHXFFTXXGANGC-UHFFFAOYSA-N 1 0 395.503 4.149 20 0 GIADRO COc1ccc([C@@H](C)[N@H+](C)C[C@@H](O)COc2cccc(C(F)(F)F)c2)cc1 ZINC000063492314 823675896 /nfs/dbraw/zinc/67/58/96/823675896.db2.gz MPRDSBHZBJVYKT-RHSMWYFYSA-N 1 0 383.410 4.147 20 0 GIADRO O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000412703669 823676428 /nfs/dbraw/zinc/67/64/28/823676428.db2.gz AOWORSOFUIMGOE-IFMALSPDSA-N 1 0 382.548 4.021 20 0 GIADRO COc1cccc(OC)c1OC[C@@H](O)C[N@H+](Cc1cccc(Cl)c1)C(C)C ZINC000063505210 823676750 /nfs/dbraw/zinc/67/67/50/823676750.db2.gz ILCVWDXIRQMDEW-SFHVURJKSA-N 1 0 393.911 4.008 20 0 GIADRO Clc1sc(C[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)cc1Br ZINC000191365344 823676996 /nfs/dbraw/zinc/67/69/96/823676996.db2.gz VMXGFVCCFJMRPW-NOZJJQNGSA-N 1 0 382.776 4.308 20 0 GIADRO CN1CC[C@@H]([NH2+]Cc2csc(-c3ccccn3)n2)[C@@H]1c1ccc(Cl)cc1 ZINC000125451620 823677226 /nfs/dbraw/zinc/67/72/26/823677226.db2.gz XDDIFYLWPHHGCP-MJGOQNOKSA-N 1 0 384.936 4.394 20 0 GIADRO COc1cccc(OC)c1OC[C@H](O)C[N@H+](Cc1ccccc1)C1CCCCC1 ZINC000063523948 823677573 /nfs/dbraw/zinc/67/75/73/823677573.db2.gz KYEGOBOOVDGESM-OAQYLSRUSA-N 1 0 399.531 4.278 20 0 GIADRO C[C@H](CNC(=O)Nc1cccc(NC(=O)C2CCCCC2)c1)C[NH+]1CCCC1 ZINC000125465320 823678403 /nfs/dbraw/zinc/67/84/03/823678403.db2.gz FZMNIRBAFJQRAP-QGZVFWFLSA-N 1 0 386.540 4.059 20 0 GIADRO CC(C)Oc1ccc(C[NH2+]C[C@@H](O)COc2cccc(C(F)(F)F)c2)cc1 ZINC000063547994 823678694 /nfs/dbraw/zinc/67/86/94/823678694.db2.gz PLCLMOVGMQXHCK-QGZVFWFLSA-N 1 0 383.410 4.022 20 0 GIADRO Cc1c([C@@H](C)[NH2+][C@H](CO)c2cccc(Br)c2)cnn1C(C)(C)C ZINC000191382495 823678783 /nfs/dbraw/zinc/67/87/83/823678783.db2.gz MQROZTXQONAUDV-SJKOYZFVSA-N 1 0 380.330 4.093 20 0 GIADRO Cc1c([C@H](C)[NH2+]C[C@@H](CO)Cc2ccc(OC(F)(F)F)cc2)cnn1C(C)C ZINC000191383167 823678819 /nfs/dbraw/zinc/67/88/19/823678819.db2.gz GFRAOJNLPHUEJA-YOEHRIQHSA-N 1 0 399.457 4.173 20 0 GIADRO COc1cccc(C[C@@H]2CCC[N@@H+]2CCC(=O)Nc2ccccc2SC)c1 ZINC000063549458 823678931 /nfs/dbraw/zinc/67/89/31/823678931.db2.gz QGDDBTBCHYJOEM-SFHVURJKSA-N 1 0 384.545 4.453 20 0 GIADRO COc1ccc(Cl)cc1C1(C[NH2+]Cc2c[nH]nc2C(C)(C)C)CCOCC1 ZINC000063552028 823679107 /nfs/dbraw/zinc/67/91/07/823679107.db2.gz QKYOBVRPVOMUEC-UHFFFAOYSA-N 1 0 391.943 4.207 20 0 GIADRO CCC1(CC)[C@@H]([NH2+]Cc2nnc(-c3ccccc3Br)o2)C[C@@H]1OC ZINC000191388660 823679251 /nfs/dbraw/zinc/67/92/51/823679251.db2.gz AEUFVUFYLYASCT-GJZGRUSLSA-N 1 0 394.313 4.182 20 0 GIADRO CCCOc1cccc(C[NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000063560537 823679400 /nfs/dbraw/zinc/67/94/00/823679400.db2.gz CTJRBENFWITOSZ-KDURUIRLSA-N 1 0 396.531 4.015 20 0 GIADRO COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(OC2CCCCC2)CC1 ZINC000125481875 823679734 /nfs/dbraw/zinc/67/97/34/823679734.db2.gz HCJXMQQBPKXADR-ZWKOTPCHSA-N 1 0 388.552 4.075 20 0 GIADRO N#Cc1ccccc1NC(=S)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000063565188 823679739 /nfs/dbraw/zinc/67/97/39/823679739.db2.gz UYYBHKCJRLYUQY-UHFFFAOYSA-N 1 0 378.545 4.421 20 0 GIADRO O=[N+]([O-])c1ccc(NC(=S)NCc2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000063565263 823679776 /nfs/dbraw/zinc/67/97/76/823679776.db2.gz AOMCGVNMVZHFDF-UHFFFAOYSA-N 1 0 398.532 4.457 20 0 GIADRO CCCOc1ccc(C[NH2+]C[C@@H](O)COc2cccc(Cl)c2Cl)cc1 ZINC000063566094 823679856 /nfs/dbraw/zinc/67/98/56/823679856.db2.gz BHNIUZPHMNVYEL-OAHLLOKOSA-N 1 0 384.303 4.312 20 0 GIADRO Cc1c([C@@H](C)[NH2+][C@@H](CC(C)C)C(=O)Nc2nccs2)cnn1C(C)(C)C ZINC000191408384 823681794 /nfs/dbraw/zinc/68/17/94/823681794.db2.gz BMBYDNIOYKCCDQ-CJNGLKHVSA-N 1 0 377.558 4.107 20 0 GIADRO CC(C)OCc1cccc(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000063607403 823682927 /nfs/dbraw/zinc/68/29/27/823682927.db2.gz SCYGVUHNHPATEM-UHFFFAOYSA-N 1 0 381.520 4.398 20 0 GIADRO C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)CCCc2ncc(-c3ccccc3)o2)CC1 ZINC000125531339 823682955 /nfs/dbraw/zinc/68/29/55/823682955.db2.gz POEJLNLMGTZJBE-GOSISDBHSA-N 1 0 381.520 4.140 20 0 GIADRO O=C(Nc1ccccc1O)C1CC[NH+](CCCOc2cccc(Cl)c2)CC1 ZINC000125536561 823683458 /nfs/dbraw/zinc/68/34/58/823683458.db2.gz SZPCGHLMLJXVIK-UHFFFAOYSA-N 1 0 388.895 4.165 20 0 GIADRO CCOC(=O)Nc1ccc2c(C[N@@H+]3CCC[C@@H]3c3ccncc3)cc(=O)oc2c1 ZINC000125547364 823684275 /nfs/dbraw/zinc/68/42/75/823684275.db2.gz GUWWDNBRZBEMMR-LJQANCHMSA-N 1 0 393.443 4.094 20 0 GIADRO CCOC(=O)N[C@@H](C[NH2+][C@@H](C)c1sc(-c2cccnc2)nc1C)CC(C)C ZINC000125565139 823685816 /nfs/dbraw/zinc/68/58/16/823685816.db2.gz APLNUGUGYINMNR-WMLDXEAASA-N 1 0 390.553 4.325 20 0 GIADRO Cc1c([C@H](C)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)cnn1C(C)(C)C ZINC000191450689 823686479 /nfs/dbraw/zinc/68/64/79/823686479.db2.gz TVDXBIAWQULBGR-KRWDZBQOSA-N 1 0 384.568 4.324 20 0 GIADRO C[C@H]([NH2+]Cc1nccn1-c1ccccc1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000191456196 823687204 /nfs/dbraw/zinc/68/72/04/823687204.db2.gz JBPCNRKWDRLVRH-YADARESESA-N 1 0 391.515 4.287 20 0 GIADRO Brc1ccc(C[NH2+]Cc2ccc(COC3CCOCC3)cc2)o1 ZINC000191465906 823688300 /nfs/dbraw/zinc/68/83/00/823688300.db2.gz BUCWDFLIEQOHLA-UHFFFAOYSA-N 1 0 380.282 4.028 20 0 GIADRO C[C@H](C(=O)NC[C@H](c1cccs1)[NH+](C)C)c1cccc(Br)c1 ZINC000461730770 823688740 /nfs/dbraw/zinc/68/87/40/823688740.db2.gz UZBMVAXUYJOEHK-SWLSCSKDSA-N 1 0 381.339 4.033 20 0 GIADRO COc1ccc(C)cc1CC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000063679825 823689007 /nfs/dbraw/zinc/68/90/07/823689007.db2.gz ORWBWVBWMLXPCS-UHFFFAOYSA-N 1 0 380.532 4.239 20 0 GIADRO CC(=O)Nc1ccc(F)c(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)c1 ZINC000063680259 823689019 /nfs/dbraw/zinc/68/90/19/823689019.db2.gz WYZLDLSATAWROZ-UHFFFAOYSA-N 1 0 397.494 4.090 20 0 GIADRO O=C(Cc1cccc(OCC(F)(F)F)c1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000125601714 823689069 /nfs/dbraw/zinc/68/90/69/823689069.db2.gz KNKKWWWKOUBOGZ-UHFFFAOYSA-N 1 0 392.421 4.405 20 0 GIADRO CC[NH+]1CCC(NC(=O)C2(c3ccc(Br)cc3)CCCCC2)CC1 ZINC000063680322 823689134 /nfs/dbraw/zinc/68/91/34/823689134.db2.gz GFIHGDZXFIBAND-UHFFFAOYSA-N 1 0 393.369 4.252 20 0 GIADRO Cc1ccc(C)c(C(=O)c2ccccc2C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000063693755 823689824 /nfs/dbraw/zinc/68/98/24/823689824.db2.gz CYWQRGGXCJWORA-HXUWFJFHSA-N 1 0 392.543 4.385 20 0 GIADRO Brc1cccc([C@@H]([NH2+]CCCOCC2CC2)C2CCOCC2)c1 ZINC000191489476 823690589 /nfs/dbraw/zinc/69/05/89/823690589.db2.gz JRWHBIBXZJFZBQ-IBGZPJMESA-N 1 0 382.342 4.323 20 0 GIADRO Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000063724376 823691986 /nfs/dbraw/zinc/69/19/86/823691986.db2.gz QETWKWJQQMGVQE-UHFFFAOYSA-N 1 0 389.540 4.128 20 0 GIADRO C[C@@H](C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cccc(Br)c1 ZINC000461755977 823692230 /nfs/dbraw/zinc/69/22/30/823692230.db2.gz UWAPVONTRLJGJY-PBHICJAKSA-N 1 0 391.309 4.099 20 0 GIADRO C[N@H+](Cc1cc(Br)ccc1F)Cc1c(O)ccc2ccncc21 ZINC000063729537 823692368 /nfs/dbraw/zinc/69/23/68/823692368.db2.gz IYNMWLZOKWZVHO-UHFFFAOYSA-N 1 0 375.241 4.474 20 0 GIADRO COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCN(c3ccccc3OC)C1)CCS2 ZINC000191506723 823693031 /nfs/dbraw/zinc/69/30/31/823693031.db2.gz ZWCTXGWZSSQQED-LPHOPBHVSA-N 1 0 384.545 4.357 20 0 GIADRO COCc1cc([C@H](C)[NH2+]C[C@@H](O)c2ccc(OC(F)(F)F)cc2)ccc1OC ZINC000125648678 823693180 /nfs/dbraw/zinc/69/31/80/823693180.db2.gz QJOCQJMHUFDTIS-SCLBCKFNSA-N 1 0 399.409 4.124 20 0 GIADRO COc1cccc(N2CC[C@@H](C[NH2+][C@@H]3CCSc4ccc(OC)cc43)C2)c1 ZINC000191507922 823693242 /nfs/dbraw/zinc/69/32/42/823693242.db2.gz SDSHLVLLKGJIBN-HRAATJIYSA-N 1 0 384.545 4.357 20 0 GIADRO OCc1cccc(C[NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)c1 ZINC000191511300 823693839 /nfs/dbraw/zinc/69/38/39/823693839.db2.gz SUXNRSUKPXVQRM-FQEVSTJZSA-N 1 0 390.321 4.199 20 0 GIADRO COc1ccc2c(c1)[C@@H]([NH2+]CC1CCN(C(=O)c3ccccc3)CC1)CCS2 ZINC000191516908 823694396 /nfs/dbraw/zinc/69/43/96/823694396.db2.gz WJYHWOIRWIHSIW-NRFANRHFSA-N 1 0 396.556 4.374 20 0 GIADRO CCCc1c(C(=O)N(C)CC[N@H+](C)C2CCCCC2)cnn1Cc1ccccc1 ZINC000063771292 823694511 /nfs/dbraw/zinc/69/45/11/823694511.db2.gz PLQOWHULWVIRLV-UHFFFAOYSA-N 1 0 396.579 4.220 20 0 GIADRO CCC[C@@H](CCO)C[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000191520479 823694774 /nfs/dbraw/zinc/69/47/74/823694774.db2.gz XKZNPJXFWSACIS-KXBFYZLASA-N 1 0 384.358 4.305 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCN(C(=O)CCc3ccccc3)C1)CCS2 ZINC000191524814 823695350 /nfs/dbraw/zinc/69/53/50/823695350.db2.gz MAGDQJFOZJLLKL-WIYYLYMNSA-N 1 0 396.556 4.055 20 0 GIADRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C)cc1O[C@H]1CCOC1)CCS2 ZINC000191525281 823695371 /nfs/dbraw/zinc/69/53/71/823695371.db2.gz HZCUYMOHUSBZMP-ICSRJNTNSA-N 1 0 385.529 4.498 20 0 GIADRO CCC/C=C/C(=O)NCCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000063779493 823695418 /nfs/dbraw/zinc/69/54/18/823695418.db2.gz KYMHKXPHYKBNCK-ONNFQVAWSA-N 1 0 397.485 4.080 20 0 GIADRO CC(C)c1c(NC(=O)c2ccccc2OCC[NH+](C)C)cnn1-c1ccccc1 ZINC000191528363 823695665 /nfs/dbraw/zinc/69/56/65/823695665.db2.gz CFAMTZVGQOLZSD-UHFFFAOYSA-N 1 0 392.503 4.188 20 0 GIADRO COCC[C@@H](Cc1cccc(F)c1)[NH2+][C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000191531495 823696331 /nfs/dbraw/zinc/69/63/31/823696331.db2.gz BHIZSDJGGJCKCM-KUHUBIRLSA-N 1 0 387.430 4.313 20 0 GIADRO CC[C@H](C)n1ncc(C(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)c1C1CC1 ZINC000125686843 823696797 /nfs/dbraw/zinc/69/67/97/823696797.db2.gz WYJCQDPLZUGOMO-SFHVURJKSA-N 1 0 394.563 4.468 20 0 GIADRO Cc1cc(C[C@@H](C)[NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)[nH]n1 ZINC000191535285 823696923 /nfs/dbraw/zinc/69/69/23/823696923.db2.gz FTVOUGJVZINBNV-YJYMSZOUSA-N 1 0 392.341 4.169 20 0 GIADRO CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H]1CCSc2ccc(OC)cc21 ZINC000191537192 823697193 /nfs/dbraw/zinc/69/71/93/823697193.db2.gz KLEOLUXWJQRBCX-KXBFYZLASA-N 1 0 391.558 4.074 20 0 GIADRO Cc1cccc(C[NH2+][C@H](C)CC(=O)Nc2cccnc2Cl)c1Br ZINC000191538386 823697370 /nfs/dbraw/zinc/69/73/70/823697370.db2.gz WXLWNTDCRSPLBU-GFCCVEGCSA-N 1 0 396.716 4.313 20 0 GIADRO COCC1(O)CC[NH+](Cc2ccccc2Oc2ccc(F)cc2Cl)CC1 ZINC000461804917 823698007 /nfs/dbraw/zinc/69/80/07/823698007.db2.gz DPDHSUHWAGZROZ-UHFFFAOYSA-N 1 0 379.859 4.245 20 0 GIADRO O=C(NCCCOc1ccc(F)cc1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000063800511 823698138 /nfs/dbraw/zinc/69/81/38/823698138.db2.gz LNBAQWYKCVHNHX-UHFFFAOYSA-N 1 0 399.510 4.080 20 0 GIADRO Brc1cccc([C@H]([NH2+]CC[C@@H]2CCCCO2)C2CCOCC2)c1 ZINC000191547074 823698238 /nfs/dbraw/zinc/69/82/38/823698238.db2.gz STWCEJGBKSLETB-RBUKOAKNSA-N 1 0 382.342 4.466 20 0 GIADRO OCC[C@@H]([NH2+][C@H](c1cccc(Br)c1)C1CCOCC1)c1ccco1 ZINC000191549478 823698580 /nfs/dbraw/zinc/69/85/80/823698580.db2.gz IPRJGRFGCVIKIQ-MJGOQNOKSA-N 1 0 394.309 4.223 20 0 GIADRO O=c1cc(O)nc(SCc2cccc(C[NH+]3CCCCC3)c2)n1C1CCCC1 ZINC000412992578 823698746 /nfs/dbraw/zinc/69/87/46/823698746.db2.gz MUUDPEDZBRWDDQ-UHFFFAOYSA-N 1 0 399.560 4.342 20 0 GIADRO CCOC(=O)c1csc(CC[NH2+][C@H](C)c2sc(C(C)(C)C)nc2C)n1 ZINC000191552565 823698954 /nfs/dbraw/zinc/69/89/54/823698954.db2.gz WJTGXMBTFLBVAE-LLVKDONJSA-N 1 0 381.567 4.276 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NCc3ccc(Br)o3)cc2)CC1 ZINC000191555277 823699037 /nfs/dbraw/zinc/69/90/37/823699037.db2.gz JKPSXXYXYCWOQB-UHFFFAOYSA-N 1 0 378.314 4.185 20 0 GIADRO COc1ccc([C@H](C)[NH2+]Cc2ccc(CS(C)(=O)=O)cc2)c2ccccc12 ZINC000125711631 823699029 /nfs/dbraw/zinc/69/90/29/823699029.db2.gz HFYKKPSQNORCLI-INIZCTEOSA-N 1 0 383.513 4.244 20 0 GIADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)C2(c3ccc(Cl)cc3)CCOCC2)C1 ZINC000063822294 823699483 /nfs/dbraw/zinc/69/94/83/823699483.db2.gz VRJNQJOOTQCUHK-GOSISDBHSA-N 1 0 392.971 4.017 20 0 GIADRO C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000125715644 823699600 /nfs/dbraw/zinc/69/96/00/823699600.db2.gz RJKXMNOOLNIDNK-IBGZPJMESA-N 1 0 398.522 4.069 20 0 GIADRO CCOC(=O)c1csc(CC[NH2+][C@@H]2CCCOc3c(C)cc(Cl)cc32)n1 ZINC000191563150 823700134 /nfs/dbraw/zinc/70/01/34/823700134.db2.gz JEEKHECGPVGQSO-OAHLLOKOSA-N 1 0 394.924 4.328 20 0 GIADRO Cc1cc(SCC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)c(C)cc1Br ZINC000063834665 823700418 /nfs/dbraw/zinc/70/04/18/823700418.db2.gz RYXWIUZQOCNQCN-OAHLLOKOSA-N 1 0 399.398 4.005 20 0 GIADRO COc1cc(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)cc(Cl)c1OCCC(C)C ZINC000063836286 823700581 /nfs/dbraw/zinc/70/05/81/823700581.db2.gz RRHKKJOOMAZHOK-MRXNPFEDSA-N 1 0 396.959 4.234 20 0 GIADRO COc1cccc(-c2noc([C@@H](C)[NH2+][C@@H](C)Cc3ccc(OC)c(OC)c3)n2)c1 ZINC000191565623 823700733 /nfs/dbraw/zinc/70/07/33/823700733.db2.gz LUTCSNOYNHQCFS-LSDHHAIUSA-N 1 0 397.475 4.044 20 0 GIADRO COc1cccc(-c2noc([C@H](C)[NH2+][C@@H](C)Cc3ccc(OC)c(OC)c3)n2)c1 ZINC000191565576 823700803 /nfs/dbraw/zinc/70/08/03/823700803.db2.gz LUTCSNOYNHQCFS-GJZGRUSLSA-N 1 0 397.475 4.044 20 0 GIADRO CC[C@@H](CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)CC(F)(F)F ZINC000413051820 823701796 /nfs/dbraw/zinc/70/17/96/823701796.db2.gz XEMJBMJDQCDLCD-CABCVRRESA-N 1 0 375.435 4.084 20 0 GIADRO CC(C)(C)c1ccncc1CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000413055978 823702065 /nfs/dbraw/zinc/70/20/65/823702065.db2.gz UUDNCPCXVPMMDQ-SFHVURJKSA-N 1 0 386.565 4.077 20 0 GIADRO COc1cc(OC)cc([C@H]([NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)c2nccn2C)c1 ZINC000125751187 823704186 /nfs/dbraw/zinc/70/41/86/823704186.db2.gz ABRAEAKBQBILQB-MPGHIAIKSA-N 1 0 397.441 4.237 20 0 GIADRO CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+]C2CCC3(CCCCC3)CC2)CC1 ZINC000191581813 823704144 /nfs/dbraw/zinc/70/41/44/823704144.db2.gz UFODEGDSNPJPNF-SFHVURJKSA-N 1 0 392.584 4.049 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCN(c2cccc(Cl)c2)C1)c1cccc(N2CCOC2=O)c1 ZINC000163372057 823704585 /nfs/dbraw/zinc/70/45/85/823704585.db2.gz VLQUWYVHDKHQIU-QAPCUYQASA-N 1 0 385.895 4.226 20 0 GIADRO Cc1cccc([C@H](NC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)c2ccccn2)c1 ZINC000125755227 823704720 /nfs/dbraw/zinc/70/47/20/823704720.db2.gz BIAYPHZJYYXXTN-REWPJTCUSA-N 1 0 394.563 4.291 20 0 GIADRO Cc1cccc([C@@H](NC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)C(F)(F)F)c1 ZINC000163373926 823704787 /nfs/dbraw/zinc/70/47/87/823704787.db2.gz UXYDEOCEYBPNEU-SJLPKXTDSA-N 1 0 383.458 4.116 20 0 GIADRO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[NH2+]CCn1ccnc1 ZINC000163397229 823706127 /nfs/dbraw/zinc/70/61/27/823706127.db2.gz CTZNMWTZDGJZKR-UHFFFAOYSA-N 1 0 391.450 4.098 20 0 GIADRO C[NH+](C)Cc1ccsc1C(=O)NC[C@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000574352522 823706925 /nfs/dbraw/zinc/70/69/25/823706925.db2.gz WRTHKMXBBYOTDQ-SFHVURJKSA-N 1 0 392.952 4.361 20 0 GIADRO CC[C@H](C)n1ncc(C(=O)NC2CC[NH+](Cc3ccsc3)CC2)c1C1CC1 ZINC000125776481 823707894 /nfs/dbraw/zinc/70/78/94/823707894.db2.gz FCQJZNHDIAYNNR-HNNXBMFYSA-N 1 0 386.565 4.187 20 0 GIADRO C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)C[C@@H]([NH3+])c2ccccc2)cc1Cl ZINC000163423915 823708088 /nfs/dbraw/zinc/70/80/88/823708088.db2.gz WJXAUGDWSXSBBO-MGPUTAFESA-N 1 0 399.922 4.383 20 0 GIADRO COC(=O)COc1c(C)cc(C[NH2+][C@H](c2ccc(OC)cc2)C2CC2)cc1C ZINC000063903692 823708640 /nfs/dbraw/zinc/70/86/40/823708640.db2.gz PJCUDEGKJDZPQR-QFIPXVFZSA-N 1 0 383.488 4.105 20 0 GIADRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)C1(c2cccc(F)c2)CCOCC1 ZINC000163433569 823708929 /nfs/dbraw/zinc/70/89/29/823708929.db2.gz VBRJPBLJYCBOPR-UHFFFAOYSA-N 1 0 396.506 4.417 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)N1CC2(CCOCC2)[C@@H]1c1ccccc1)C1CCCCC1 ZINC000413113576 823709429 /nfs/dbraw/zinc/70/94/29/823709429.db2.gz WOOHYIBDZOCHPH-YADHBBJMSA-N 1 0 399.579 4.060 20 0 GIADRO COc1cc(C[N@H+](C)Cc2ccccc2N(C)C)cc(OC)c1OCC(F)F ZINC000574365848 823710380 /nfs/dbraw/zinc/71/03/80/823710380.db2.gz IWLGFLYFQPCLQX-UHFFFAOYSA-N 1 0 394.462 4.046 20 0 GIADRO CCc1cc(CCC[NH2+]C2(c3cccc(Br)c3)CCOCC2)on1 ZINC000574367465 823710784 /nfs/dbraw/zinc/71/07/84/823710784.db2.gz SFQDCFZZTKYJQE-UHFFFAOYSA-N 1 0 393.325 4.228 20 0 GIADRO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]Cc1ccc(CS(C)(=O)=O)cc1 ZINC000125796568 823712489 /nfs/dbraw/zinc/71/24/89/823712489.db2.gz PUUQJQRGEWKDDD-CYBMUJFWSA-N 1 0 380.579 4.144 20 0 GIADRO O=C(CC[NH+]1CCC(c2ccncc2)CC1)Nc1ccccc1C(F)(F)F ZINC000191613959 823712797 /nfs/dbraw/zinc/71/27/97/823712797.db2.gz SULFRIUZVYLCFB-UHFFFAOYSA-N 1 0 377.410 4.309 20 0 GIADRO O=C(C[C@@H]1CCC[NH2+]1)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000163477060 823713790 /nfs/dbraw/zinc/71/37/90/823713790.db2.gz GMTYUODVXFSJGN-HNNXBMFYSA-N 1 0 391.393 4.038 20 0 GIADRO Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCC[N@@H+]1CCC(=O)N1CCCCC1 ZINC000125803951 823715250 /nfs/dbraw/zinc/71/52/50/823715250.db2.gz MYHDKSCBPKYEPB-KRWDZBQOSA-N 1 0 380.964 4.040 20 0 GIADRO CC(C)c1c(C(=O)NC2CC[NH+](C3CC3)CC2)cnn1-c1ccccc1Cl ZINC000191626488 823718085 /nfs/dbraw/zinc/71/80/85/823718085.db2.gz QXCXZDDWQHILBX-UHFFFAOYSA-N 1 0 386.927 4.006 20 0 GIADRO C[C@H]1C[N@H+](CCSc2ccnc3cc(Cl)ccc32)CC2(CCOCC2)O1 ZINC000574393964 823718307 /nfs/dbraw/zinc/71/83/07/823718307.db2.gz DLXUYVMIGMSNOE-HNNXBMFYSA-N 1 0 392.952 4.250 20 0 GIADRO C[C@@H]1C[N@H+](CCSc2ccnc3cc(Cl)ccc32)CC2(CCOCC2)O1 ZINC000574393965 823718558 /nfs/dbraw/zinc/71/85/58/823718558.db2.gz DLXUYVMIGMSNOE-OAHLLOKOSA-N 1 0 392.952 4.250 20 0 GIADRO CC(C)(C)OCCCC[N@@H+]1CCC[C@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC000574396824 823718955 /nfs/dbraw/zinc/71/89/55/823718955.db2.gz JFCFTXSOQMWHLX-LJQANCHMSA-N 1 0 378.532 4.139 20 0 GIADRO C[C@H](C(=O)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1)[C@H]([NH3+])c1ccccc1 ZINC000574398152 823719579 /nfs/dbraw/zinc/71/95/79/823719579.db2.gz QNMUGMTUYFPYJI-ADLFWFRXSA-N 1 0 394.412 4.439 20 0 GIADRO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@@H+]2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)o1 ZINC000574399681 823719595 /nfs/dbraw/zinc/71/95/95/823719595.db2.gz NTNFYRFWAQVTKU-MIVHDCIWSA-N 1 0 388.471 4.344 20 0 GIADRO COc1sc(CN[C@H](C[NH+](C)C)c2ccc(F)cc2)cc1Br ZINC000574407648 823721766 /nfs/dbraw/zinc/72/17/66/823721766.db2.gz VGZXCKFUADKSGD-OAHLLOKOSA-N 1 0 387.318 4.051 20 0 GIADRO C[C@H]([NH2+][C@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1ccc2ccccc2n1 ZINC000191646453 823723004 /nfs/dbraw/zinc/72/30/04/823723004.db2.gz MTECBHBBESRZSF-NYHFZMIOSA-N 1 0 395.453 4.355 20 0 GIADRO O=C(NCc1ncc(-c2ccccc2)cn1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000574420158 823724617 /nfs/dbraw/zinc/72/46/17/823724617.db2.gz XBYFRCHJHWWBNL-UHFFFAOYSA-N 1 0 386.499 4.060 20 0 GIADRO C[C@H]([NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc([S@@](C)=O)cc1 ZINC000163590529 823726126 /nfs/dbraw/zinc/72/61/26/823726126.db2.gz XOKUVLRTJUOHKV-QMTYFTJSSA-N 1 0 390.980 4.393 20 0 GIADRO Cc1ccc(C[NH2+][C@@H](CN2CCCC2=O)c2ccccc2)cc1Br ZINC000163594632 823726570 /nfs/dbraw/zinc/72/65/70/823726570.db2.gz AUDBUKNTDCTLFR-IBGZPJMESA-N 1 0 387.321 4.211 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)N1CCC[C@H]1c1nc2ccccc2s1)c1ccccc1 ZINC000125844938 823726566 /nfs/dbraw/zinc/72/65/66/823726566.db2.gz VPLQOYMNLNYUAH-OALUTQOASA-N 1 0 394.544 4.446 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cc(-c3ccccn3)no2)cc1 ZINC000461865010 823727090 /nfs/dbraw/zinc/72/70/90/823727090.db2.gz GEFXNIMFSMSPNK-INIZCTEOSA-N 1 0 376.460 4.363 20 0 GIADRO C[C@@H]([NH2+]C1(CNC(=O)c2ccc(F)c(Cl)c2)CCOCC1)c1ccccc1 ZINC000125848910 823727571 /nfs/dbraw/zinc/72/75/71/823727571.db2.gz CVNYNECHPUZZAH-OAHLLOKOSA-N 1 0 390.886 4.109 20 0 GIADRO C[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ncc(-c2ccccc2)o1 ZINC000125853550 823729176 /nfs/dbraw/zinc/72/91/76/823729176.db2.gz XNZINEMNHBOXLR-GHTZIAJQSA-N 1 0 389.499 4.431 20 0 GIADRO CCC(=O)Nc1ccc(Cl)c(NC(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000125856026 823729647 /nfs/dbraw/zinc/72/96/47/823729647.db2.gz JGNYCDTVHPPAED-GOSISDBHSA-N 1 0 388.899 4.113 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Nc1cccc(OCc2cccnc2)c1)c1ccccc1 ZINC000125856630 823730368 /nfs/dbraw/zinc/73/03/68/823730368.db2.gz RLLGTCKVRJTKKL-QFIPXVFZSA-N 1 0 390.487 4.085 20 0 GIADRO Fc1ccc(OC2CC[NH+](Cc3ccccc3OCC(F)(F)F)CC2)cn1 ZINC000191678315 823730597 /nfs/dbraw/zinc/73/05/97/823730597.db2.gz VMUGBMACAQYRHG-UHFFFAOYSA-N 1 0 384.373 4.205 20 0 GIADRO CC[C@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1ccccc1Br ZINC000125858822 823730759 /nfs/dbraw/zinc/73/07/59/823730759.db2.gz SNAIMULNWFDCFD-SFHVURJKSA-N 1 0 396.350 4.235 20 0 GIADRO Cc1cc(NCc2ccc(N3CCCC3)nc2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000191679597 823731106 /nfs/dbraw/zinc/73/11/06/823731106.db2.gz FHFQGLNFVCSFDF-UHFFFAOYSA-N 1 0 393.579 4.133 20 0 GIADRO FC(F)(F)c1nnc(N2CCC[N@H+](Cc3coc4ccccc34)CC2)s1 ZINC000191685874 823733354 /nfs/dbraw/zinc/73/33/54/823733354.db2.gz JPTFWPAJSFLDQT-UHFFFAOYSA-N 1 0 382.411 4.015 20 0 GIADRO COc1cc2[nH+]ccc(N3CCC4(CC3)OCCc3ccsc34)c2cc1OC ZINC000413239554 823735959 /nfs/dbraw/zinc/73/59/59/823735959.db2.gz QYXMOSNNOSYROU-UHFFFAOYSA-N 1 0 396.512 4.382 20 0 GIADRO COCCN1CCC([NH2+][C@H](COc2c(C)cccc2C)c2ccccc2)CC1 ZINC000461888482 823739706 /nfs/dbraw/zinc/73/97/06/823739706.db2.gz GVGREIDZVPQHTJ-HSZRJFAPSA-N 1 0 382.548 4.124 20 0 GIADRO CCCN(C)c1ccc(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000064052593 823740908 /nfs/dbraw/zinc/74/09/08/823740908.db2.gz FQRYOUHWUUGSCN-UHFFFAOYSA-N 1 0 379.548 4.175 20 0 GIADRO C[C@H](CNC(=O)c1ccc(N2CCc3ccccc3C2)cc1)[NH+]1CCC(C)CC1 ZINC000064052069 823740977 /nfs/dbraw/zinc/74/09/77/823740977.db2.gz SJNNWFVZHHGOFM-HXUWFJFHSA-N 1 0 391.559 4.100 20 0 GIADRO COc1ccc(C[NH2+]Cc2cccc(C(=O)NCc3ccc(C)cc3)c2)cc1F ZINC000125917076 823743698 /nfs/dbraw/zinc/74/36/98/823743698.db2.gz KJHKOJVKJWLRMY-UHFFFAOYSA-N 1 0 392.474 4.363 20 0 GIADRO COc1cc([C@H](C)[NH2+]Cc2cccc(CN3CCOCC3)c2)ccc1SC ZINC000163737426 823743790 /nfs/dbraw/zinc/74/37/90/823743790.db2.gz VHHZGLNHXJYNNA-KRWDZBQOSA-N 1 0 386.561 4.100 20 0 GIADRO CNC(=O)[C@H](CC(C)C)[NH2+][C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000163745384 823744313 /nfs/dbraw/zinc/74/43/13/823744313.db2.gz ZHGISECOCWOWRP-RDJZCZTQSA-N 1 0 375.513 4.077 20 0 GIADRO COc1ccc(C[NH2+]C[C@@](C)(Cc2ccccc2)[C@H](C)O)c(Cl)c1OC ZINC000191717018 823745242 /nfs/dbraw/zinc/74/52/42/823745242.db2.gz JGHRWWJVMMDCNT-YCRPNKLZSA-N 1 0 377.912 4.077 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)c1ccc(F)cc1OC(F)F ZINC000163753188 823745435 /nfs/dbraw/zinc/74/54/35/823745435.db2.gz HQQLAIHUYLLXDO-OAHLLOKOSA-N 1 0 394.437 4.110 20 0 GIADRO COC[C@@H](C)[C@@H](C)C(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000461901174 823745432 /nfs/dbraw/zinc/74/54/32/823745432.db2.gz VGHYGSYSFHXMER-WOJBJXKFSA-N 1 0 394.559 4.484 20 0 GIADRO COc1ccc(Cc2nc(C)c([C@H](C)[NH2+][C@H](C)[C@@H](C)OC)s2)cc1OC ZINC000574490002 823746129 /nfs/dbraw/zinc/74/61/29/823746129.db2.gz FYSXQLUTFJXRNN-VNHYZAJKSA-N 1 0 378.538 4.134 20 0 GIADRO COc1cc(C[NH2+]C[C@@](C)(Cc2ccccc2)[C@@H](C)O)ccc1OC(F)F ZINC000191720193 823746640 /nfs/dbraw/zinc/74/66/40/823746640.db2.gz PBHGKWVTMXJEEN-QVKFZJNVSA-N 1 0 379.447 4.016 20 0 GIADRO CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]Cc1cccc(OCC(=O)N(C)C)c1 ZINC000163788182 823748668 /nfs/dbraw/zinc/74/86/68/823748668.db2.gz BOJFSLOYQRXWOD-OAHLLOKOSA-N 1 0 390.911 4.057 20 0 GIADRO O=C(Nc1cccc(Cl)c1Br)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000191730571 823749761 /nfs/dbraw/zinc/74/97/61/823749761.db2.gz OVYCJAIUFCXSGL-LBPRGKRZSA-N 1 0 386.721 4.052 20 0 GIADRO COc1cc(Oc2ccccc2)ccc1NC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000574502089 823749906 /nfs/dbraw/zinc/74/99/06/823749906.db2.gz KIIVGSDAGDDBLM-MSOLQXFVSA-N 1 0 395.503 4.341 20 0 GIADRO Cc1ccc([C@H]2C[C@@H](C)[N@@H+](Cc3nc4c(cnn4-c4ccccc4)c(=O)[nH]3)C2)cc1 ZINC000574501603 823749995 /nfs/dbraw/zinc/74/99/95/823749995.db2.gz YZFZFWMZLPIMJQ-MJGOQNOKSA-N 1 0 399.498 4.208 20 0 GIADRO COc1cc(F)c(C(=O)Nc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)cc1OC ZINC000163814322 823751523 /nfs/dbraw/zinc/75/15/23/823751523.db2.gz ZIUHROKPGMYHCU-HNNXBMFYSA-N 1 0 386.467 4.470 20 0 GIADRO CCc1ccc([C@@H](C)NC(=O)[C@@H](C)N2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000064130147 823752846 /nfs/dbraw/zinc/75/28/46/823752846.db2.gz ACWQHTFJKVOIMB-WOJBJXKFSA-N 1 0 385.596 4.013 20 0 GIADRO CC[C@H]([NH2+][C@H]1CCN(C(=O)C2CCCC2)C1)c1ccc(Br)cc1 ZINC000125963757 823755099 /nfs/dbraw/zinc/75/50/99/823755099.db2.gz JFKMKSCIVNJRCF-ROUUACIJSA-N 1 0 379.342 4.281 20 0 GIADRO CCCN(C(=O)c1ccc2cnccc2n1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000413337180 823755569 /nfs/dbraw/zinc/75/55/69/823755569.db2.gz VVZSKJIVFDLYLX-NRFANRHFSA-N 1 0 388.515 4.147 20 0 GIADRO COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H](C)C(C)(C)c2ccccc2)c(OC)c1 ZINC000163885868 823757234 /nfs/dbraw/zinc/75/72/34/823757234.db2.gz OYUDDCBEMORTME-IAGOWNOFSA-N 1 0 384.520 4.377 20 0 GIADRO COc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc(OC(C)C)cc1Cl ZINC000574535558 823758033 /nfs/dbraw/zinc/75/80/33/823758033.db2.gz ZQLZULWBCUVXLM-UHFFFAOYSA-N 1 0 376.884 4.450 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)[C@H](C)c2cccc(Br)c2)c1 ZINC000461925073 823758640 /nfs/dbraw/zinc/75/86/40/823758640.db2.gz ZONUIWFYDRLMSG-OAHLLOKOSA-N 1 0 389.337 4.321 20 0 GIADRO CCCOc1ccccc1Oc1ncccc1CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000163916280 823760552 /nfs/dbraw/zinc/76/05/52/823760552.db2.gz SSHGKEJJEUSLKV-NLWGTHIKSA-N 1 0 383.536 4.481 20 0 GIADRO CC[C@H](CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)CC(F)(F)F ZINC000413370055 823761544 /nfs/dbraw/zinc/76/15/44/823761544.db2.gz VKVLCAXTMFKZQU-SOLBZPMBSA-N 1 0 385.474 4.317 20 0 GIADRO Cc1ccsc1CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000163952350 823764890 /nfs/dbraw/zinc/76/48/90/823764890.db2.gz KGAJXGLJPRSVGD-KRWDZBQOSA-N 1 0 376.591 4.469 20 0 GIADRO C[C@@H](C(=O)Nc1ccc(OCC[NH+](C)C)cc1)c1cccc(Br)c1 ZINC000461938961 823766125 /nfs/dbraw/zinc/76/61/25/823766125.db2.gz UZNVNUQHZTYVQX-CQSZACIVSA-N 1 0 391.309 4.132 20 0 GIADRO O[C@@H](C[NH2+][C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1)COCc1ccccc1 ZINC000574566818 823768774 /nfs/dbraw/zinc/76/87/74/823768774.db2.gz UJVRHCDBWBZYIM-IHPCNDPISA-N 1 0 379.422 4.119 20 0 GIADRO CCC[NH+]1CCC(N[C@H](C)c2ccc(OCc3ccncc3)c(OC)c2)CC1 ZINC000164028615 823771806 /nfs/dbraw/zinc/77/18/06/823771806.db2.gz VNXVURMPJYNVGL-GOSISDBHSA-N 1 0 383.536 4.194 20 0 GIADRO Cc1ccc(CN2CC[C@H]([NH2+]Cc3cnc(-c4ccccc4)s3)C2=O)cc1 ZINC000191803808 823773905 /nfs/dbraw/zinc/77/39/05/823773905.db2.gz GPXKGRITRZAXEL-FQEVSTJZSA-N 1 0 377.513 4.009 20 0 GIADRO Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000413423398 823774300 /nfs/dbraw/zinc/77/43/00/823774300.db2.gz DSVOENCTKIDXCZ-XMMPIXPASA-N 1 0 399.538 4.305 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)N(Cc2ccc(OC)cc2)C2CC2)c1 ZINC000064229752 823775745 /nfs/dbraw/zinc/77/57/45/823775745.db2.gz WALCCDQWGYBRJX-UHFFFAOYSA-N 1 0 381.520 4.021 20 0 GIADRO COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000191808791 823777002 /nfs/dbraw/zinc/77/70/02/823777002.db2.gz FWLUVQMASHWLSF-CVEARBPZSA-N 1 0 394.943 4.347 20 0 GIADRO C[NH+]1CCN(Cc2cccc(C(=O)N3CCC[C@@H]3CC3CCCCC3)c2)CC1 ZINC000461970838 823777317 /nfs/dbraw/zinc/77/73/17/823777317.db2.gz NMJBOZYZHSZTMG-HSZRJFAPSA-N 1 0 383.580 4.009 20 0 GIADRO C[C@H](NC(=O)NCc1cnccc1C(C)(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000413440201 823778194 /nfs/dbraw/zinc/77/81/94/823778194.db2.gz RWSFLQOLEQOVCW-ICSRJNTNSA-N 1 0 394.563 4.089 20 0 GIADRO C[C@@H](NC(=O)NCc1cnccc1C(C)(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000413440203 823778296 /nfs/dbraw/zinc/77/82/96/823778296.db2.gz RWSFLQOLEQOVCW-UYAOXDASSA-N 1 0 394.563 4.089 20 0 GIADRO C[C@H](c1ccccc1C(F)(F)F)[C@H](C)NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000164122056 823779847 /nfs/dbraw/zinc/77/98/47/823779847.db2.gz HJJRYNNXPNXXGF-HOTGVXAUSA-N 1 0 397.485 4.467 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(NC(=O)C2CCCC2)c1)c1ccc(-n2cncn2)cc1 ZINC000126071547 823779989 /nfs/dbraw/zinc/77/99/89/823779989.db2.gz WSCNZJSOEVZWCS-KRWDZBQOSA-N 1 0 389.503 4.247 20 0 GIADRO COc1ccc(OC)c([C@@H](O)C[N@@H+]2CCC[C@@H]2Cc2ccccc2Cl)c1 ZINC000064249706 823780322 /nfs/dbraw/zinc/78/03/22/823780322.db2.gz ILJYPUUTIHMKBQ-UZLBHIALSA-N 1 0 375.896 4.098 20 0 GIADRO CC(C)c1cc(C(=O)N2CCC(OCCC[NH+](C)C)CC2)c(O)c(C(C)C)c1 ZINC000126078145 823781417 /nfs/dbraw/zinc/78/14/17/823781417.db2.gz CDOJEUIDCDVGEV-UHFFFAOYSA-N 1 0 390.568 4.212 20 0 GIADRO CCCC[NH+]1CCC(NC(=O)c2cc(-c3ccccc3C(F)(F)F)on2)CC1 ZINC000461987202 823783585 /nfs/dbraw/zinc/78/35/85/823783585.db2.gz UUXCVWCCFLIQJT-UHFFFAOYSA-N 1 0 395.425 4.355 20 0 GIADRO COc1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)OCCCO3)cc1Br ZINC000126087414 823783603 /nfs/dbraw/zinc/78/36/03/823783603.db2.gz PGMCVMJJVZPLFL-ZDUSSCGKSA-N 1 0 392.293 4.470 20 0 GIADRO CC(C)[NH+]1CCC(C(=O)N[C@H](Cc2cccc(F)c2)c2cccc(F)c2)CC1 ZINC000461987811 823784445 /nfs/dbraw/zinc/78/44/45/823784445.db2.gz RGTRPCWJHWONOZ-JOCHJYFZSA-N 1 0 386.486 4.485 20 0 GIADRO CC[N@@H+]1CC[C@H](NC(=O)N[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)C1 ZINC000413477880 823785454 /nfs/dbraw/zinc/78/54/54/823785454.db2.gz WSTPAGRCHVCKAH-UONOGXRCSA-N 1 0 397.363 4.092 20 0 GIADRO COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000191834769 823790787 /nfs/dbraw/zinc/79/07/87/823790787.db2.gz UGOZGVHLAGYKDL-AWEZNQCLSA-N 1 0 376.884 4.068 20 0 GIADRO C[C@@H](NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc2ccccc2n1 ZINC000191834072 823790831 /nfs/dbraw/zinc/79/08/31/823790831.db2.gz NKNNWDMYZDAUIT-KNQAVFIVSA-N 1 0 375.516 4.177 20 0 GIADRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(Cc1cccs1)C1Cc2ccccc2C1 ZINC000462011411 823793735 /nfs/dbraw/zinc/79/37/35/823793735.db2.gz QUCSLMFTZBHLNK-KRWDZBQOSA-N 1 0 385.577 4.156 20 0 GIADRO C[C@H](CC(F)F)C(=O)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000413537723 823794362 /nfs/dbraw/zinc/79/43/62/823794362.db2.gz HBAXATMGFWHSJT-ZBFHGGJFSA-N 1 0 392.412 4.191 20 0 GIADRO C[C@@H]1CCCN(c2cc(C(=O)N3CCC[C@H](C[NH+]4CCCCCC4)C3)ccn2)C1 ZINC000462018408 823796034 /nfs/dbraw/zinc/79/60/34/823796034.db2.gz WOEDRXTVOICHEB-NHCUHLMSSA-N 1 0 398.595 4.046 20 0 GIADRO Cc1ccc([C@@H]2CCCN2C(=O)CC[NH+]2CCN(c3cccc(C)c3)CC2)cc1 ZINC000462019712 823796646 /nfs/dbraw/zinc/79/66/46/823796646.db2.gz DALUPFYGYURJQR-DEOSSOPVSA-N 1 0 391.559 4.179 20 0 GIADRO C[C@H]([NH2+][C@H]1CCCN(c2ccccc2Cl)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000164390628 823800285 /nfs/dbraw/zinc/80/02/85/823800285.db2.gz BVYRQMPONUTPTF-RDJZCZTQSA-N 1 0 392.952 4.063 20 0 GIADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)C1 ZINC000574684060 823800608 /nfs/dbraw/zinc/80/06/08/823800608.db2.gz VZLDCXMBTVGJEH-FUHWJXTLSA-N 1 0 375.472 4.256 20 0 GIADRO Cc1cccc2c1OCC[C@H]2NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000191872878 823800804 /nfs/dbraw/zinc/80/08/04/823800804.db2.gz NFXLDQYAFCAVSF-JOCHJYFZSA-N 1 0 393.531 4.125 20 0 GIADRO CSC1(CNC(=O)N[C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)CC[NH+](C)CC1 ZINC000413589959 823801537 /nfs/dbraw/zinc/80/15/37/823801537.db2.gz SSTSUXZWJGXKLI-FUHWJXTLSA-N 1 0 396.000 4.103 20 0 GIADRO CCOc1ccc(-c2nc(C)c(C(=O)N3C[C@@H]([NH3+])Cc4ccccc43)s2)cc1 ZINC000574694925 823802336 /nfs/dbraw/zinc/80/23/36/823802336.db2.gz UTTQUTWKUWJAGE-KRWDZBQOSA-N 1 0 393.512 4.047 20 0 GIADRO CC(=O)c1ccc(OC[C@H](O)C[NH2+]CC2(c3ccccc3)CCCCC2)cc1 ZINC000574715168 823806992 /nfs/dbraw/zinc/80/69/92/823806992.db2.gz XHVHSPRMSHYROS-JOCHJYFZSA-N 1 0 381.516 4.121 20 0 GIADRO CC(=O)c1ccc(OC[C@@H](O)C[NH2+]CC2(c3ccccc3)CCCCC2)cc1 ZINC000574715169 823807289 /nfs/dbraw/zinc/80/72/89/823807289.db2.gz XHVHSPRMSHYROS-QFIPXVFZSA-N 1 0 381.516 4.121 20 0 GIADRO C[C@H]1OCC[C@@]12C[N@H+](Cc1ccc(OCc3ccc(F)cc3)cc1)C[C@@H](C)O2 ZINC000574716881 823807774 /nfs/dbraw/zinc/80/77/74/823807774.db2.gz XIHDPEJDRSJSHT-PMAPCBKXSA-N 1 0 385.479 4.173 20 0 GIADRO CC[C@H]([NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1ccc(OC)c(OC)c1 ZINC000126187166 823807852 /nfs/dbraw/zinc/80/78/52/823807852.db2.gz RKOUNSQDEOWGBX-DZFGPLHGSA-N 1 0 383.536 4.050 20 0 GIADRO Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000126187796 823808444 /nfs/dbraw/zinc/80/84/44/823808444.db2.gz BTOCQNGBSXNOCA-QHCPKHFHSA-N 1 0 397.526 4.499 20 0 GIADRO Cc1ccc(OCc2ccc(C(=O)N3CCC[C@H]4C[N@H+](C)CC[C@@H]43)o2)c(C)c1 ZINC000164560244 823808375 /nfs/dbraw/zinc/80/83/75/823808375.db2.gz MZFHVIBLMJHNGD-ICSRJNTNSA-N 1 0 382.504 4.032 20 0 GIADRO O=C(NCC[N@@H+]1CCc2ccccc2C1)Nc1ccccc1CCC(F)(F)F ZINC000126192087 823809336 /nfs/dbraw/zinc/80/93/36/823809336.db2.gz OGMLMNSTKJFMBW-UHFFFAOYSA-N 1 0 391.437 4.361 20 0 GIADRO COc1ccc(CN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c2ccccc2Cl)cc1OC ZINC000126195618 823810160 /nfs/dbraw/zinc/81/01/60/823810160.db2.gz ZXYNXCBZWXEVCN-GJZGRUSLSA-N 1 0 390.911 4.055 20 0 GIADRO C[NH+](C)C[C@H](NC(=O)N[C@H]1CCc2sc(Cl)cc21)c1ccc(F)cc1 ZINC000462049165 823811444 /nfs/dbraw/zinc/81/14/44/823811444.db2.gz WSTXBMSJLDMTMK-GJZGRUSLSA-N 1 0 381.904 4.130 20 0 GIADRO C[C@@H](CC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)c1ccc(F)c(Br)c1 ZINC000462056109 823814535 /nfs/dbraw/zinc/81/45/35/823814535.db2.gz RZVOQAOECCWDOQ-GOEBONIOSA-N 1 0 397.332 4.169 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@H](c2c(Cl)cccc2Cl)C2CC2)C1 ZINC000462055230 823814581 /nfs/dbraw/zinc/81/45/81/823814581.db2.gz PVQJOBHWRTZOOT-ACJLOTCBSA-N 1 0 384.351 4.428 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCc1cccs1 ZINC000064430042 823817738 /nfs/dbraw/zinc/81/77/38/823817738.db2.gz VUBGQJKLUKCISD-UHFFFAOYSA-N 1 0 385.455 4.040 20 0 GIADRO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@H+](CCc1c(C)noc1C)CC2 ZINC000164739819 823818063 /nfs/dbraw/zinc/81/80/63/823818063.db2.gz RYHWGJQPOINKSE-XMMPIXPASA-N 1 0 392.499 4.499 20 0 GIADRO CC[C@H]1CN(c2ccccc2)CC[N@@H+]1Cc1ccc(OCc2noc(C)n2)cc1 ZINC000462069652 823818854 /nfs/dbraw/zinc/81/88/54/823818854.db2.gz ANPFUKYWMHGRIL-FQEVSTJZSA-N 1 0 392.503 4.058 20 0 GIADRO CCCc1c(NC(=O)N2CCC([NH+]3CCCC3)CC2)cnn1-c1ccc(F)cc1 ZINC000191945223 823820084 /nfs/dbraw/zinc/82/00/84/823820084.db2.gz LFINXLNHIBQDAF-UHFFFAOYSA-N 1 0 399.514 4.056 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1cnccc1C(C)(C)C ZINC000413700965 823820796 /nfs/dbraw/zinc/82/07/96/823820796.db2.gz SKMMBSKAKAGTLL-HXUWFJFHSA-N 1 0 394.563 4.043 20 0 GIADRO CCCc1c(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)cnn1-c1ccc(F)cc1 ZINC000191950113 823821174 /nfs/dbraw/zinc/82/11/74/823821174.db2.gz KLPDMPNBCQDFLP-IBGZPJMESA-N 1 0 399.514 4.056 20 0 GIADRO Cc1nc(C(F)(F)F)sc1C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000462078786 823821577 /nfs/dbraw/zinc/82/15/77/823821577.db2.gz IUDGMXMRQCLDHV-JSGCOSHPSA-N 1 0 389.487 4.197 20 0 GIADRO Cc1cccc([C@@H]2CCC[N@@H+]2Cn2ccc(=O)c3cccc(Br)c32)n1 ZINC000164821247 823821718 /nfs/dbraw/zinc/82/17/18/823821718.db2.gz XHWAWLBNAUBFBR-SFHVURJKSA-N 1 0 398.304 4.262 20 0 GIADRO CSCC[C@H](C)[N@H+](C)Cc1nc(-c2ccc(Br)s2)no1 ZINC000126261164 823823692 /nfs/dbraw/zinc/82/36/92/823823692.db2.gz OIAOMLKGSZQRSG-VIFPVBQESA-N 1 0 376.345 4.134 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)Nc2cc(-c3ccccc3C)nn2C)[NH+](C)C)cc1 ZINC000462089080 823824863 /nfs/dbraw/zinc/82/48/63/823824863.db2.gz PRSKYRCDRIKKKL-OAQYLSRUSA-N 1 0 391.519 4.128 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@H]2CCN(Cc3ccccn3)C[C@H]2C)ccc1SC ZINC000126269900 823824901 /nfs/dbraw/zinc/82/49/01/823824901.db2.gz QPKJUESPBHUWPO-UWVAXJGDSA-N 1 0 385.577 4.373 20 0 GIADRO COc1ccccc1[C@H]1C[C@@H](C)CCN1C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000574783522 823825129 /nfs/dbraw/zinc/82/51/29/823825129.db2.gz HWNMEWFMKDOWEW-OXJNMPFZSA-N 1 0 395.503 4.182 20 0 GIADRO CCOc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000064470599 823825243 /nfs/dbraw/zinc/82/52/43/823825243.db2.gz YEWRQYQHKWKRQT-UHFFFAOYSA-N 1 0 394.437 4.308 20 0 GIADRO CC(C)(C)OC1CC[NH+](C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000164923694 823825673 /nfs/dbraw/zinc/82/56/73/823825673.db2.gz RCRUYNJGMPXHBX-CQSZACIVSA-N 1 0 376.324 4.013 20 0 GIADRO CCc1nc(C)c([C@H](C)[NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)s1 ZINC000164981238 823828005 /nfs/dbraw/zinc/82/80/05/823828005.db2.gz DWFHHZVBAWKJEW-AWEZNQCLSA-N 1 0 383.517 4.388 20 0 GIADRO C[C@H](CNC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1)CC(F)(F)F ZINC000413739243 823829035 /nfs/dbraw/zinc/82/90/35/823829035.db2.gz BEWMYKWWHLBQBX-JKSUJKDBSA-N 1 0 377.495 4.261 20 0 GIADRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)c3ccc4c(c3)COC4)cc2)C1 ZINC000064488858 823829650 /nfs/dbraw/zinc/82/96/50/823829650.db2.gz CBQOPDLTVWYOHG-ROUUACIJSA-N 1 0 378.516 4.125 20 0 GIADRO C[C@H]([NH2+]C[C@H]1CCCN(C)[C@@H]1c1cccs1)c1ccc(-n2cncn2)cc1 ZINC000165012746 823830416 /nfs/dbraw/zinc/83/04/16/823830416.db2.gz ANBFDSPWNYASPR-CDXJDZJCSA-N 1 0 381.549 4.063 20 0 GIADRO Cc1noc(-c2ccccc2)c1NC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000126287697 823830650 /nfs/dbraw/zinc/83/06/50/823830650.db2.gz LETAONUWHZFEEP-UHFFFAOYSA-N 1 0 396.466 4.385 20 0 GIADRO C[N@H+](CCCCCc1cc(-c2ccccc2)no1)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000191981439 823830572 /nfs/dbraw/zinc/83/05/72/823830572.db2.gz ZSPOZYQYURZWRP-HXUWFJFHSA-N 1 0 382.504 4.472 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000064497716 823831206 /nfs/dbraw/zinc/83/12/06/823831206.db2.gz UECZCHSOTRDBPD-ROUUACIJSA-N 1 0 392.877 4.312 20 0 GIADRO CC(=O)c1ccc(Oc2ccc(C(=O)N(C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)cc2)cc1 ZINC000126292046 823831653 /nfs/dbraw/zinc/83/16/53/823831653.db2.gz HAMCKGCWGUGAST-OXJNMPFZSA-N 1 0 380.488 4.236 20 0 GIADRO CC[C@@H](Cc1cccc(Br)c1)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000462115508 823832848 /nfs/dbraw/zinc/83/28/48/823832848.db2.gz BMAILUDKACHSOF-RDJZCZTQSA-N 1 0 395.385 4.207 20 0 GIADRO CC[C@H](Cc1ccccc1)[NH2+]Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000462116182 823833275 /nfs/dbraw/zinc/83/32/75/823833275.db2.gz GQWOMWKPRWCBHY-LJQANCHMSA-N 1 0 379.529 4.184 20 0 GIADRO COc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H]2c2ccc(C)c(C)c2)cc1OC ZINC000064517639 823834008 /nfs/dbraw/zinc/83/40/08/823834008.db2.gz ZGYDJNAZFJOONE-OAQYLSRUSA-N 1 0 396.531 4.116 20 0 GIADRO CN(C)C1(C[NH2+]C(CCc2ccccc2)CCc2ccccc2)CCOCC1 ZINC000462117926 823834194 /nfs/dbraw/zinc/83/41/94/823834194.db2.gz MUTABQWEPCIXBA-UHFFFAOYSA-N 1 0 380.576 4.321 20 0 GIADRO Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000192018631 823836012 /nfs/dbraw/zinc/83/60/12/823836012.db2.gz CISVZEVDYDTPIZ-STQMWFEESA-N 1 0 393.409 4.188 20 0 GIADRO O=C(C[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1)Nc1ccc(F)cc1Cl ZINC000192020429 823836180 /nfs/dbraw/zinc/83/61/80/823836180.db2.gz NGYJSLMRQCGWLO-WMZOPIPTSA-N 1 0 383.250 4.191 20 0 GIADRO CC(C)(C)n1ncc(NCC2CC[NH+](Cc3cccs3)CC2)c(Cl)c1=O ZINC000064538687 823839845 /nfs/dbraw/zinc/83/98/45/823839845.db2.gz MJZMTXOECRGTIF-UHFFFAOYSA-N 1 0 394.972 4.037 20 0 GIADRO CC(C)OCc1cccc(NC(=O)NCC2([NH+]3CCSCC3)CCCC2)c1 ZINC000064543785 823840214 /nfs/dbraw/zinc/84/02/14/823840214.db2.gz BWMCGTCZCRKAAG-UHFFFAOYSA-N 1 0 391.581 4.095 20 0 GIADRO Cc1ccc(NC(=O)NC2(c3ccc(Cl)cc3)CC2)c(OCC[NH+](C)C)c1 ZINC000574846812 823841283 /nfs/dbraw/zinc/84/12/83/823841283.db2.gz NKUZAPVMTLPWQV-UHFFFAOYSA-N 1 0 387.911 4.400 20 0 GIADRO CCc1ccc([C@@H](COC)[NH2+][C@@H](C)CC(=O)Nc2cc(Cl)ccc2OC)o1 ZINC000165282966 823841840 /nfs/dbraw/zinc/84/18/40/823841840.db2.gz ZSUQAELWXRXGDV-SUMWQHHRSA-N 1 0 394.899 4.198 20 0 GIADRO C[C@H]1CN(c2ccc(NC(=O)C[N@H+](C3CC3)C3CCCCC3)cc2)C[C@H](C)O1 ZINC000064556827 823843570 /nfs/dbraw/zinc/84/35/70/823843570.db2.gz YOKAMLBRXVTLMH-ROUUACIJSA-N 1 0 385.552 4.036 20 0 GIADRO COC(=O)CC[N@@H+](Cc1csc(Cc2ccc(Cl)cc2)n1)CC(C)C ZINC000064558902 823843736 /nfs/dbraw/zinc/84/37/36/823843736.db2.gz BZPWHYVDUQWSEJ-UHFFFAOYSA-N 1 0 380.941 4.408 20 0 GIADRO CC[C@@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@H](CNC(=O)C(C)C)C1 ZINC000126341611 823843984 /nfs/dbraw/zinc/84/39/84/823843984.db2.gz RORVVNMRJLXKKI-QAPCUYQASA-N 1 0 381.358 4.384 20 0 GIADRO C[C@@H](N[C@@H](C)c1noc(Cc2ccccc2)n1)c1ccc(OCC[NH+](C)C)cc1 ZINC000165346278 823844654 /nfs/dbraw/zinc/84/46/54/823844654.db2.gz RFURGEZOVCLDFR-MSOLQXFVSA-N 1 0 394.519 4.013 20 0 GIADRO COc1ccc(C)cc1NC(=O)[C@H](C)[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000192051871 823844838 /nfs/dbraw/zinc/84/48/38/823844838.db2.gz QYKQLKNJHOJHPZ-GZRFBZBPSA-N 1 0 388.895 4.104 20 0 GIADRO C[C@H](CC(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1)C1CC[NH2+]CC1 ZINC000165394745 823847541 /nfs/dbraw/zinc/84/75/41/823847541.db2.gz BAXJAVNUPJGFKZ-CQSZACIVSA-N 1 0 389.927 4.213 20 0 GIADRO C[C@@H](CCC[NH3+])NC(=O)c1ccc(Oc2cccc(Br)c2)cc1 ZINC000574876974 823849354 /nfs/dbraw/zinc/84/93/54/823849354.db2.gz MYFKARINBKKZEV-ZDUSSCGKSA-N 1 0 377.282 4.099 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1cc(Cl)cc(Cl)c1 ZINC000126366669 823850091 /nfs/dbraw/zinc/85/00/91/823850091.db2.gz ACGODEJNSJPVNG-UHFFFAOYSA-N 1 0 378.303 4.377 20 0 GIADRO C[C@@H]([NH2+]C[C@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1)c1cncs1 ZINC000165473194 823850542 /nfs/dbraw/zinc/85/05/42/823850542.db2.gz MDLZPEWKIOPDNA-RHSMWYFYSA-N 1 0 379.957 4.299 20 0 GIADRO Cc1nc(COC(C)(C)C)oc1C(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000574884122 823850953 /nfs/dbraw/zinc/85/09/53/823850953.db2.gz MQHLAECUDHGKRJ-UHFFFAOYSA-N 1 0 393.572 4.271 20 0 GIADRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)c3ccc([C@H]4CCCOC4)cc3)cccc21 ZINC000574891766 823853257 /nfs/dbraw/zinc/85/32/57/823853257.db2.gz MAHATOVHGQOXKF-GHTZIAJQSA-N 1 0 380.488 4.218 20 0 GIADRO C[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2ccc(Cn3ccnc3)cc2)CN1C1CC1 ZINC000165576158 823854474 /nfs/dbraw/zinc/85/44/74/823854474.db2.gz JKIHSAFYHPDJSF-CVDCTZTESA-N 1 0 386.543 4.313 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CCc2ccc(NC(C)=O)cc2)cc1Br ZINC000165586766 823854829 /nfs/dbraw/zinc/85/48/29/823854829.db2.gz DYJZPDXOWVMNIM-ZDUSSCGKSA-N 1 0 391.309 4.309 20 0 GIADRO CSc1cccc(NC(=O)C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000192086584 823855787 /nfs/dbraw/zinc/85/57/87/823855787.db2.gz NYTHDHPTPKHJET-MJGOQNOKSA-N 1 0 394.899 4.259 20 0 GIADRO N#Cc1ccc(C[N@H+](Cc2cccc(F)c2)C[C@@H]2CC3(CCC3)C(=O)O2)cc1 ZINC000192088797 823856084 /nfs/dbraw/zinc/85/60/84/823856084.db2.gz XJYZLNVMXVTDIH-NRFANRHFSA-N 1 0 378.447 4.185 20 0 GIADRO N#Cc1ccc(C[N@H+](Cc2cccc(F)c2)C[C@H]2CC3(CCC3)C(=O)O2)cc1 ZINC000192088804 823856212 /nfs/dbraw/zinc/85/62/12/823856212.db2.gz XJYZLNVMXVTDIH-OAQYLSRUSA-N 1 0 378.447 4.185 20 0 GIADRO CC[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccccc1 ZINC000064643940 823856224 /nfs/dbraw/zinc/85/62/24/823856224.db2.gz BGSWLRDOBAKSAZ-OALUTQOASA-N 1 0 385.577 4.453 20 0 GIADRO CCc1ccc(CNC(=O)C[N@H+](Cc2ccc(OC)cc2)[C@@H](C)C2CC2)s1 ZINC000064641664 823856272 /nfs/dbraw/zinc/85/62/72/823856272.db2.gz BJQJXGRRYMLFKP-INIZCTEOSA-N 1 0 386.561 4.236 20 0 GIADRO O=C(NCc1cc2ccccc2o1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000064643956 823856333 /nfs/dbraw/zinc/85/63/33/823856333.db2.gz LCYJKXPXACUOIP-INIZCTEOSA-N 1 0 383.517 4.206 20 0 GIADRO CSc1nnc(CCC[NH2+][C@@H]2CCCOc3cc(C)ccc32)n1CC(C)C ZINC000165641646 823856390 /nfs/dbraw/zinc/85/63/90/823856390.db2.gz JHWUQBCGZIYHSA-GOSISDBHSA-N 1 0 388.581 4.401 20 0 GIADRO Fc1cc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c2c(c1)COCO2 ZINC000192089328 823856779 /nfs/dbraw/zinc/85/67/79/823856779.db2.gz LSKMBRIJKHMTSY-MJGOQNOKSA-N 1 0 381.806 4.105 20 0 GIADRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000064644222 823856662 /nfs/dbraw/zinc/85/66/62/823856662.db2.gz BLPRORNOZRLMBO-UYUJGIFYSA-N 1 0 387.593 4.180 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCCc3ccccc32)c1 ZINC000126399775 823857213 /nfs/dbraw/zinc/85/72/13/823857213.db2.gz XKSUKOARBAZDNC-WMZOPIPTSA-N 1 0 382.504 4.131 20 0 GIADRO Cc1csc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1Br ZINC000192091786 823857302 /nfs/dbraw/zinc/85/73/02/823857302.db2.gz LYJISSFRLSVHJZ-WFASDCNBSA-N 1 0 393.350 4.069 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCCc3ccccc32)c1 ZINC000126400216 823857786 /nfs/dbraw/zinc/85/77/86/823857786.db2.gz XKSUKOARBAZDNC-FUHWJXTLSA-N 1 0 382.504 4.131 20 0 GIADRO CC(C)c1cccc(NC(=O)N2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)c1 ZINC000574904673 823857843 /nfs/dbraw/zinc/85/78/43/823857843.db2.gz ZQBQDDZYHHWQSU-UHFFFAOYSA-N 1 0 395.551 4.412 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)C(=O)Nc1cccc(F)c1 ZINC000192094837 823858323 /nfs/dbraw/zinc/85/83/23/823858323.db2.gz AHLWQHBTQBYCOY-UZCIPKQKSA-N 1 0 380.822 4.065 20 0 GIADRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@H](CC)c2cc(C)ccc2OC)s1 ZINC000574908202 823859243 /nfs/dbraw/zinc/85/92/43/823859243.db2.gz YZQUXKYHSQHDLZ-IJEWVQPXSA-N 1 0 390.553 4.122 20 0 GIADRO Cc1cccc(NC(=O)C[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c1C ZINC000192102883 823860618 /nfs/dbraw/zinc/86/06/18/823860618.db2.gz SARXCNNIRFJCOD-AZUAARDMSA-N 1 0 376.859 4.154 20 0 GIADRO CSc1nnc(CCC[NH2+][C@H]2c3cc(F)ccc3C[C@H]2C)n1CC(C)C ZINC000165737428 823861384 /nfs/dbraw/zinc/86/13/84/823861384.db2.gz CDBIXOSXWZMELX-AUUYWEPGSA-N 1 0 376.545 4.251 20 0 GIADRO Cc1ccc2c(CCC(=O)N[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C)c[nH]c2c1 ZINC000462189088 823861405 /nfs/dbraw/zinc/86/14/05/823861405.db2.gz PAZSWJMUERRTGY-MBSDFSHPSA-N 1 0 375.516 4.046 20 0 GIADRO NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2NCc2ccc(-c3ccccc3)o2)C1 ZINC000126422125 823862650 /nfs/dbraw/zinc/86/26/50/823862650.db2.gz HJJXGYXZMRYQDW-HXUWFJFHSA-N 1 0 389.499 4.256 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)CSc2ccc(Cl)cc2)c(F)c1 ZINC000413901253 823862867 /nfs/dbraw/zinc/86/28/67/823862867.db2.gz MOJXESGYYBSDNJ-UHFFFAOYSA-N 1 0 382.888 4.150 20 0 GIADRO CC[NH+](CC)[C@H](C(=O)N[C@@H]1CCO[C@H](C2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000462192904 823863309 /nfs/dbraw/zinc/86/33/09/823863309.db2.gz QKVRXNFFZWYQED-QYZOEREBSA-N 1 0 398.469 4.162 20 0 GIADRO Cc1nc(C(F)(F)F)sc1C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000462195084 823864249 /nfs/dbraw/zinc/86/42/49/823864249.db2.gz JWBIDUACCCQBBW-GFCCVEGCSA-N 1 0 385.455 4.111 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(OCc2ccccn2)cc1)c1ccc([S@@](C)=O)cc1 ZINC000165869790 823864614 /nfs/dbraw/zinc/86/46/14/823864614.db2.gz UFYKCWPYBKJMJN-CRYYWNKWSA-N 1 0 380.513 4.249 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2CC(C)(C)Oc3ccccc32)c(F)c1 ZINC000413911109 823864764 /nfs/dbraw/zinc/86/47/64/823864764.db2.gz GWPWTFGGBBIIDV-QGZVFWFLSA-N 1 0 386.467 4.050 20 0 GIADRO CCOc1ccc(NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1F ZINC000574945795 823867563 /nfs/dbraw/zinc/86/75/63/823867563.db2.gz ARKUODXFUXSQMR-OALUTQOASA-N 1 0 397.494 4.210 20 0 GIADRO CCc1nc2c(s1)[C@H](N[C@H](CC[N@H+](C)CCOC)c1ccccc1)CCC2 ZINC000165994319 823868077 /nfs/dbraw/zinc/86/80/77/823868077.db2.gz YAJDSCJFKFSKFY-RTBURBONSA-N 1 0 387.593 4.382 20 0 GIADRO CCC(CC)C(=O)N1CCC([NH2+][C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000166035321 823868434 /nfs/dbraw/zinc/86/84/34/823868434.db2.gz ZSNPZUUZNPDAOX-LJQANCHMSA-N 1 0 393.369 4.453 20 0 GIADRO CCC(CC)C(=O)N1CCC([NH2+][C@@H](C)c2ccc(-n3ccnc3C)cc2)CC1 ZINC000166066141 823869127 /nfs/dbraw/zinc/86/91/27/823869127.db2.gz VUOOWZDPHJEZHP-KRWDZBQOSA-N 1 0 382.552 4.259 20 0 GIADRO CC[NH+](CC)C[C@H]1CCN(C(=O)C[C@H](C)c2ccc(F)c(Br)c2)C1 ZINC000462204364 823869271 /nfs/dbraw/zinc/86/92/71/823869271.db2.gz UZTUKAFGOGNDLY-LSDHHAIUSA-N 1 0 399.348 4.272 20 0 GIADRO CCC(CC)C(=O)N1CCC([NH2+][C@@H](C)c2cc(Cl)c(OC)cc2OC)CC1 ZINC000166090609 823869495 /nfs/dbraw/zinc/86/94/95/823869495.db2.gz WCKIQLOCASGLNT-AWEZNQCLSA-N 1 0 396.959 4.435 20 0 GIADRO CCC(CC)C(=O)N1CCC([NH2+][C@@H](C)c2cnn(Cc3ccccc3)c2)CC1 ZINC000166086620 823869592 /nfs/dbraw/zinc/86/95/92/823869592.db2.gz ZBACMBMNISPKPF-SFHVURJKSA-N 1 0 382.552 4.009 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CC[C@H](C)c2ccc(OC)cc2)cc1 ZINC000166101640 823870153 /nfs/dbraw/zinc/87/01/53/823870153.db2.gz ODJZHXJRYQGMFK-IRXDYDNUSA-N 1 0 390.549 4.301 20 0 GIADRO c1cn(Cc2ccccc2)c(CC[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)n1 ZINC000166106051 823870188 /nfs/dbraw/zinc/87/01/88/823870188.db2.gz NUAAYNZMNMMTNU-JTHBVZDNSA-N 1 0 375.516 4.231 20 0 GIADRO Cc1ccc(SCCC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000126448483 823870229 /nfs/dbraw/zinc/87/02/29/823870229.db2.gz WOASGHNTWBVJHH-UHFFFAOYSA-N 1 0 383.561 4.247 20 0 GIADRO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192129066 823870470 /nfs/dbraw/zinc/87/04/70/823870470.db2.gz NGJGGXWZZIXFKY-OEPMTFCVSA-N 1 0 394.849 4.373 20 0 GIADRO O=C(Cn1ccc2ccc(Cl)cc21)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000064719653 823870589 /nfs/dbraw/zinc/87/05/89/823870589.db2.gz JETSEVZZRKOEJP-UHFFFAOYSA-N 1 0 387.955 4.409 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@H]2CCO[C@@H](c3ccnn3C)C2)cnn1-c1cccc(Cl)c1 ZINC000574958717 823871735 /nfs/dbraw/zinc/87/17/35/823871735.db2.gz UUWPXZCJSXDLRG-XXHMAFKTSA-N 1 0 399.926 4.139 20 0 GIADRO C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000166181630 823871748 /nfs/dbraw/zinc/87/17/48/823871748.db2.gz MKNXIUZNELWFBO-MTNREXPMSA-N 1 0 395.522 4.284 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@H]2CCO[C@H](c3ccnn3C)C2)cnn1-c1cccc(Cl)c1 ZINC000574958715 823871768 /nfs/dbraw/zinc/87/17/68/823871768.db2.gz UUWPXZCJSXDLRG-LFRPXUGBSA-N 1 0 399.926 4.139 20 0 GIADRO Cc1noc(C)c1CCC[NH2+][C@@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000166207509 823872364 /nfs/dbraw/zinc/87/23/64/823872364.db2.gz NRRODHBTERGBRH-LBPRGKRZSA-N 1 0 399.413 4.130 20 0 GIADRO Cc1cc(C)n(-c2ccc(C[NH2+][C@@H](C[C@@H]3CCOC3)c3ccccc3)cn2)n1 ZINC000166208247 823872388 /nfs/dbraw/zinc/87/23/88/823872388.db2.gz WPGPPCSEZABKKB-UGKGYDQZSA-N 1 0 376.504 4.142 20 0 GIADRO C[C@@H](SCC(=O)Nc1ccc(C[NH+](C)C)cc1F)c1nc2ccccc2[nH]1 ZINC000413941420 823872439 /nfs/dbraw/zinc/87/24/39/823872439.db2.gz VAKAMRXKPSUAMU-CYBMUJFWSA-N 1 0 386.496 4.197 20 0 GIADRO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c(Cl)c1 ZINC000192134074 823872727 /nfs/dbraw/zinc/87/27/27/823872727.db2.gz MUEOEWFCIBMCOW-GESALYCCSA-N 1 0 394.849 4.373 20 0 GIADRO CC(C)[C@@H]1C[N@H+](C)CCN1c1nc(-c2cccnc2)nc2sc3c(c21)CCC3 ZINC000574961899 823872834 /nfs/dbraw/zinc/87/28/34/823872834.db2.gz NVMXRQAGESMRGS-KRWDZBQOSA-N 1 0 393.560 4.018 20 0 GIADRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)CC(=O)Nc2cc(Cl)ccc2OC)C12CCC2 ZINC000166228491 823872951 /nfs/dbraw/zinc/87/29/51/823872951.db2.gz ZQAUWRLRMBZHRV-MORSLUCNSA-N 1 0 380.916 4.003 20 0 GIADRO Cn1cc(C[C@H]2CC[N@H+](Cc3coc(-c4ccc(C(F)(F)F)cc4)n3)C2)cn1 ZINC000166235376 823873290 /nfs/dbraw/zinc/87/32/90/823873290.db2.gz ZLVCOOPNHWOSPR-CQSZACIVSA-N 1 0 390.409 4.159 20 0 GIADRO CC(C)NC(=O)Nc1ccc(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)cc1 ZINC000166246985 823873371 /nfs/dbraw/zinc/87/33/71/823873371.db2.gz MEIUFNQLGCEAGH-SIKLNZKXSA-N 1 0 381.520 4.474 20 0 GIADRO O=C(NC1CCCCC1)C1CC[NH+](CCn2ccc3cc(Cl)ccc32)CC1 ZINC000574962148 823873551 /nfs/dbraw/zinc/87/35/51/823873551.db2.gz LYNGMBQTQSNDKN-UHFFFAOYSA-N 1 0 387.955 4.456 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)C1(c2ccccc2C)CCC1 ZINC000413943725 823873669 /nfs/dbraw/zinc/87/36/69/823873669.db2.gz YRWCDYAGTURNPV-UHFFFAOYSA-N 1 0 382.504 4.004 20 0 GIADRO COc1ccccc1CC(C)(C)C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000126464830 823874705 /nfs/dbraw/zinc/87/47/05/823874705.db2.gz AZBRJVIVRIWJNU-UHFFFAOYSA-N 1 0 395.547 4.034 20 0 GIADRO COc1cc(OC)c([C@H](C)[NH2+]Cc2ccc(-n3ccnc3C)nc2)cc1Cl ZINC000126465993 823875278 /nfs/dbraw/zinc/87/52/78/823875278.db2.gz MDDAEHDJFXMPBC-ZDUSSCGKSA-N 1 0 386.883 4.097 20 0 GIADRO Cc1ccc(-c2nc(CC(=O)N3CCC[C@H]([N@H+]4[C@H](C)CC[C@@H]4C)C3)cs2)o1 ZINC000064735665 823875344 /nfs/dbraw/zinc/87/53/44/823875344.db2.gz WDZYZEHFUUMMCV-DAYGRLMNSA-N 1 0 387.549 4.118 20 0 GIADRO CC(C)(C)c1nc2cc(NC(=O)C3CC[NH+]([C@H]4CCSC4)CC3)ccc2[nH]1 ZINC000574970171 823876732 /nfs/dbraw/zinc/87/67/32/823876732.db2.gz ZIAQTTWRIYGVBG-INIZCTEOSA-N 1 0 386.565 4.016 20 0 GIADRO CCCC[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000166428597 823877480 /nfs/dbraw/zinc/87/74/80/823877480.db2.gz RWWQVIPUJUOUPJ-MZYLBHOOSA-N 1 0 398.595 4.001 20 0 GIADRO COC(=O)c1cc2cc(C[NH2+][C@H]3CCO[C@@H]3c3ccc(F)c(F)c3)ccc2o1 ZINC000192141205 823877515 /nfs/dbraw/zinc/87/75/15/823877515.db2.gz DGJYJECAWQISGX-FXAWDEMLSA-N 1 0 387.382 4.117 20 0 GIADRO CC[C@@H](Sc1ccccc1)C(=O)Nc1ccc(OCC[NH+](C)C)cc1OC ZINC000413961058 823878442 /nfs/dbraw/zinc/87/84/42/823878442.db2.gz RFCPYVSWPASUTJ-HXUWFJFHSA-N 1 0 388.533 4.145 20 0 GIADRO C[N@H+](CCC(=O)Nc1cccc(Br)c1)Cc1ccc(F)cc1F ZINC000574978990 823878661 /nfs/dbraw/zinc/87/86/61/823878661.db2.gz PXEYKMBWXDOQCP-UHFFFAOYSA-N 1 0 383.236 4.188 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Nc1c2c(ccc1Cl)OCC2)c1ccc(Cl)cc1 ZINC000574984149 823879589 /nfs/dbraw/zinc/87/95/89/823879589.db2.gz MLPUMOXIHXUYJD-INIZCTEOSA-N 1 0 394.302 4.353 20 0 GIADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1cccc(Br)c1F ZINC000192145601 823879637 /nfs/dbraw/zinc/87/96/37/823879637.db2.gz RZDYNRVFHSHPOR-UHFFFAOYSA-N 1 0 383.305 4.115 20 0 GIADRO [NH3+]Cc1ccc(CNC(=O)N2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000574987042 823880403 /nfs/dbraw/zinc/88/04/03/823880403.db2.gz BONFRZWCXDQZBX-SFHVURJKSA-N 1 0 391.437 4.253 20 0 GIADRO CCOc1ccc([C@H]([NH2+]C[C@@H]2CC3(CCC3)C(=O)O2)C(C)C)cc1OCC ZINC000192148924 823880475 /nfs/dbraw/zinc/88/04/75/823880475.db2.gz SSEKHARSKFXXIO-FXAWDEMLSA-N 1 0 375.509 4.257 20 0 GIADRO Cc1ncc(Cl)c(C(=O)Nc2ccc(SCC[NH+]3CCCCC3)cc2)n1 ZINC000574991401 823880769 /nfs/dbraw/zinc/88/07/69/823880769.db2.gz WOLLZWUBZMWBMY-UHFFFAOYSA-N 1 0 390.940 4.269 20 0 GIADRO COc1cccc2c1CCC[C@H]2[NH2+][C@@H](CO)c1ccccc1OC(F)(F)F ZINC000574989889 823880947 /nfs/dbraw/zinc/88/09/47/823880947.db2.gz LXFTVUCUGAXSOA-SJORKVTESA-N 1 0 381.394 4.294 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCc1ccsc1 ZINC000064755932 823881160 /nfs/dbraw/zinc/88/11/60/823881160.db2.gz INIHUZDOLONLLP-UHFFFAOYSA-N 1 0 385.455 4.040 20 0 GIADRO Cc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1Oc1ccncc1 ZINC000126487861 823881614 /nfs/dbraw/zinc/88/16/14/823881614.db2.gz CAEZEXCDTJPFDK-KNQAVFIVSA-N 1 0 391.515 4.271 20 0 GIADRO COc1cc([C@@H](C)[NH2+]C[C@@H]2CC3(CCC3)C(=O)O2)ccc1OCc1ccccc1 ZINC000192151088 823881607 /nfs/dbraw/zinc/88/16/07/823881607.db2.gz DCSAYYXCCXLQQF-XLIONFOSSA-N 1 0 395.499 4.411 20 0 GIADRO CN(C)c1ccc(N2CCC([NH2+][C@@H](C[C@H]3CCOC3)c3ccccc3)CC2)cc1 ZINC000166714504 823881721 /nfs/dbraw/zinc/88/17/21/823881721.db2.gz HDNRCOUAXJSNEC-NLFFAJNJSA-N 1 0 393.575 4.479 20 0 GIADRO C[C@H](NC(=O)N(CC[NH+](C)C)C1CCCC1)c1nc(-c2ccccc2)cs1 ZINC000126489491 823881990 /nfs/dbraw/zinc/88/19/90/823881990.db2.gz CRBOXLDTWKVXJJ-INIZCTEOSA-N 1 0 386.565 4.387 20 0 GIADRO FC(F)(F)Oc1cccc(N2CC[C@@H]([NH2+]Cc3cc4cccnc4o3)C2)c1 ZINC000574997939 823883300 /nfs/dbraw/zinc/88/33/00/823883300.db2.gz FNQLYBXIHDVAKY-CQSZACIVSA-N 1 0 377.366 4.095 20 0 GIADRO Cc1ccc(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)c(O[C@H]2CCOC2)c1 ZINC000166838779 823883243 /nfs/dbraw/zinc/88/32/43/823883243.db2.gz FKZSGRPFRZYASR-AJSBUHFISA-N 1 0 381.516 4.420 20 0 GIADRO CCc1noc(CC)c1C[NH2+][C@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000166993750 823884892 /nfs/dbraw/zinc/88/48/92/823884892.db2.gz BKXOOXFIBHHECX-GFCCVEGCSA-N 1 0 399.413 4.205 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccc(F)cc2CSC)cc1 ZINC000167121706 823886363 /nfs/dbraw/zinc/88/63/63/823886363.db2.gz FNFOGCDIOFWHNX-CQSZACIVSA-N 1 0 396.553 4.301 20 0 GIADRO FC(F)(F)COc1ccc(C[NH+]2CCC(c3noc(C4CC4)n3)CC2)cc1 ZINC000462233782 823886879 /nfs/dbraw/zinc/88/68/79/823886879.db2.gz PLCBSVGDBDJTJQ-UHFFFAOYSA-N 1 0 381.398 4.268 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1ccccc1C(F)(F)F ZINC000462233442 823886980 /nfs/dbraw/zinc/88/69/80/823886980.db2.gz QMXLFXXXCDSPOE-RDTXWAMCSA-N 1 0 377.410 4.347 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C)cc1OC[C@@H]1CCOC1)CCCO2 ZINC000167167048 823887700 /nfs/dbraw/zinc/88/77/00/823887700.db2.gz VEANSTGPHPRLMM-XMSQKQJNSA-N 1 0 397.515 4.422 20 0 GIADRO CC(C)[N@H+](CC(=O)NCC(F)(F)F)Cc1ccc(-c2ccc(F)cc2)s1 ZINC000064801644 823888209 /nfs/dbraw/zinc/88/82/09/823888209.db2.gz GPRIKRJWSIMKSZ-UHFFFAOYSA-N 1 0 388.430 4.443 20 0 GIADRO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1ncoc1-c1cccc(C(F)(F)F)c1 ZINC000575015341 823888269 /nfs/dbraw/zinc/88/82/69/823888269.db2.gz UUMCPPMOQMPSCB-INIZCTEOSA-N 1 0 395.425 4.307 20 0 GIADRO OCC[C@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)c1ccc(Cl)cc1 ZINC000575013670 823888281 /nfs/dbraw/zinc/88/82/81/823888281.db2.gz YSSDKAISVFEBAF-KRWDZBQOSA-N 1 0 382.287 4.368 20 0 GIADRO CCCc1c(C(=O)NC[C@@H]([NH2+][C@H](C)CC)c2ccco2)cnn1C1CCCC1 ZINC000575016244 823888749 /nfs/dbraw/zinc/88/87/49/823888749.db2.gz JPUHAXTUSAJHGC-VQIMIIECSA-N 1 0 386.540 4.403 20 0 GIADRO O=C(C[N@H+](C1CC1)C1CCCC1)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000064808295 823889289 /nfs/dbraw/zinc/88/92/89/823889289.db2.gz JKZGIZDADSUFOF-UHFFFAOYSA-N 1 0 377.488 4.284 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]CCc1nnc2n1CCCCC2 ZINC000126522689 823889985 /nfs/dbraw/zinc/88/99/85/823889985.db2.gz FQVUFGLTMUQPGZ-AWEZNQCLSA-N 1 0 399.539 4.469 20 0 GIADRO O=C(NCc1ccncc1)Nc1cccc(C[NH2+][C@@H]2CCc3ccccc3C2)c1 ZINC000167335444 823890492 /nfs/dbraw/zinc/89/04/92/823890492.db2.gz FFNPNYDVQUOHEX-JOCHJYFZSA-N 1 0 386.499 4.050 20 0 GIADRO O=C(Nc1ccc(Cl)cn1)C1CC[NH+](C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000575025901 823891549 /nfs/dbraw/zinc/89/15/49/823891549.db2.gz DKQKOOVHVFXLRH-UPHRSURJSA-N 1 0 391.849 4.377 20 0 GIADRO C[C@H](CC(=O)NC1CCC(C[NH+](C)C)CC1)c1ccc(F)c(Br)c1 ZINC000462242063 823892559 /nfs/dbraw/zinc/89/25/59/823892559.db2.gz DSWLUDJDQRSSTB-VQCLRJIVSA-N 1 0 399.348 4.318 20 0 GIADRO CCCOc1cc(C)ccc1C[NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(OC)c1 ZINC000167677265 823894181 /nfs/dbraw/zinc/89/41/81/823894181.db2.gz HEJMTEBKXMVZCV-MRXNPFEDSA-N 1 0 391.533 4.047 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1cc(F)ccc1N1CCC(O)CC1)CC2 ZINC000167787097 823895422 /nfs/dbraw/zinc/89/54/22/823895422.db2.gz VLZRZWHHVVZZSZ-IVZQSRNASA-N 1 0 384.495 4.134 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CCC(O)CC1)c1cc(F)cc(F)c1 ZINC000167809909 823895839 /nfs/dbraw/zinc/89/58/39/823895839.db2.gz VZMXZPAZLNUHFG-KBPBESRZSA-N 1 0 378.438 4.477 20 0 GIADRO C[C@@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)c1ccccc1-n1cccn1 ZINC000126551873 823896899 /nfs/dbraw/zinc/89/68/99/823896899.db2.gz BCKCGTCNXZJMNA-GOSISDBHSA-N 1 0 395.551 4.030 20 0 GIADRO C[C@@H](NCC(C)(C)[NH2+][C@H](C)c1ccccc1)c1cccc(N2CCOC2=O)c1 ZINC000167860287 823897125 /nfs/dbraw/zinc/89/71/25/823897125.db2.gz GXLIYRIVFVECCL-QZTJIDSGSA-N 1 0 381.520 4.423 20 0 GIADRO COc1cc([C@@H](C)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)cc(OC)c1OC ZINC000167856953 823897178 /nfs/dbraw/zinc/89/71/78/823897178.db2.gz NEOPQMHYUHNJEJ-IAGOWNOFSA-N 1 0 386.536 4.492 20 0 GIADRO Cc1nc(C(F)(F)F)sc1C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000462248802 823897397 /nfs/dbraw/zinc/89/73/97/823897397.db2.gz XTFZZBMBTJQYOI-UHFFFAOYSA-N 1 0 389.487 4.243 20 0 GIADRO O=C(c1ccccc1-c1ncc(-c2ccccc2)o1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000575039538 823897850 /nfs/dbraw/zinc/89/78/50/823897850.db2.gz OHZBJDGAPLRIHD-DEOSSOPVSA-N 1 0 387.483 4.224 20 0 GIADRO COc1ccccc1-c1csc([C@H]2CCC[N@H+](Cc3snnc3C)C2)n1 ZINC000575049764 823899431 /nfs/dbraw/zinc/89/94/31/823899431.db2.gz NNOWMAKKNUKEQY-AWEZNQCLSA-N 1 0 386.546 4.358 20 0 GIADRO CC(C)Cc1ccc(CNc2ccc(CC[NH+]3CCC(C(N)=O)CC3)cc2)cc1 ZINC000126562024 823899488 /nfs/dbraw/zinc/89/94/88/823899488.db2.gz YPRPIUYMERDJGA-UHFFFAOYSA-N 1 0 393.575 4.237 20 0 GIADRO CCC(=O)Nc1ccccc1C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000462253124 823900129 /nfs/dbraw/zinc/90/01/29/823900129.db2.gz GQVBHYASCBFOHM-SFHVURJKSA-N 1 0 385.552 4.152 20 0 GIADRO COC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000168117510 823900181 /nfs/dbraw/zinc/90/01/81/823900181.db2.gz WCKBCDVGYOYSPQ-WZONZLPQSA-N 1 0 389.499 4.242 20 0 GIADRO COC[C@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000168117304 823900272 /nfs/dbraw/zinc/90/02/72/823900272.db2.gz WCKBCDVGYOYSPQ-JPYJTQIMSA-N 1 0 389.499 4.242 20 0 GIADRO C[C@H]([NH2+][C@H]1CCN(c2ncccc2F)C1)c1ccc(F)cc1Br ZINC000168148354 823900562 /nfs/dbraw/zinc/90/05/62/823900562.db2.gz PYIPRWUEFKHEIZ-AAEUAGOBSA-N 1 0 382.252 4.052 20 0 GIADRO C[C@H](CN1CCCC1=O)[NH2+][C@H](c1ccccc1)c1cccc(Br)c1 ZINC000414069058 823901002 /nfs/dbraw/zinc/90/10/02/823901002.db2.gz KHHDYFCGQOOEPE-FOIQADDNSA-N 1 0 387.321 4.139 20 0 GIADRO CC(C)c1cccc(S(=O)(=O)NCC2CC[NH+](Cc3cccs3)CC2)c1 ZINC000462256177 823901038 /nfs/dbraw/zinc/90/10/38/823901038.db2.gz LDIQJZHKUDMTOT-UHFFFAOYSA-N 1 0 392.590 4.062 20 0 GIADRO Cc1noc(-c2ccccc2)c1NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000126571725 823901974 /nfs/dbraw/zinc/90/19/74/823901974.db2.gz UNVSRHQKSDWKFX-IEBWSBKVSA-N 1 0 380.492 4.131 20 0 GIADRO O=c1[nH]c(CN[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)nc2cc(Cl)ccc21 ZINC000575065821 823902564 /nfs/dbraw/zinc/90/25/64/823902564.db2.gz FNSDNIBYSPIHLI-MAUKXSAKSA-N 1 0 390.270 4.262 20 0 GIADRO Cc1noc(-c2ccccc2)c1NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000126572259 823902628 /nfs/dbraw/zinc/90/26/28/823902628.db2.gz UNVSRHQKSDWKFX-HKUYNNGSSA-N 1 0 380.492 4.131 20 0 GIADRO Fc1cc(C[NH2+]CCc2nc(-c3ccccn3)cs2)ccc1OC(F)F ZINC000168363510 823902642 /nfs/dbraw/zinc/90/26/42/823902642.db2.gz XDZRKSBJKJVETD-UHFFFAOYSA-N 1 0 379.407 4.278 20 0 GIADRO COC(=O)c1cnc([C@@H](C)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)s1 ZINC000414075793 823902921 /nfs/dbraw/zinc/90/29/21/823902921.db2.gz XVHZUWLRARZDFV-JKSUJKDBSA-N 1 0 387.549 4.155 20 0 GIADRO CCOc1ccc(C(=O)N2CCC([NH2+][C@H](C)c3ccc(OC)cc3C)CC2)cc1 ZINC000414077580 823903241 /nfs/dbraw/zinc/90/32/41/823903241.db2.gz RFKZGXCRSYWPMC-GOSISDBHSA-N 1 0 396.531 4.358 20 0 GIADRO COc1ccc(C[N@@H+]2CCCN(C(=S)Nc3ccc4c(c3)CCC4)CC2)cc1 ZINC000064892348 823906570 /nfs/dbraw/zinc/90/65/70/823906570.db2.gz MPZCEWGWTMJWBE-UHFFFAOYSA-N 1 0 395.572 4.089 20 0 GIADRO C[C@H](CC[S@@](C)=O)[NH2+][C@H](c1ccccc1)c1cccc(Br)c1 ZINC000414093430 823907594 /nfs/dbraw/zinc/90/75/94/823907594.db2.gz NZEZKVMMCSKYMT-JPEVHGAISA-N 1 0 380.351 4.285 20 0 GIADRO Cc1ncc([C@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)c(C)n1 ZINC000169101287 823908163 /nfs/dbraw/zinc/90/81/63/823908163.db2.gz SHMDVAKGXOFIAF-KBXCAEBGSA-N 1 0 378.442 4.037 20 0 GIADRO CC(=O)Nc1ccc(CN2CCC([NH2+][C@H]3CCCc4nc(C)sc43)CC2)cc1 ZINC000575089158 823908288 /nfs/dbraw/zinc/90/82/88/823908288.db2.gz PUIWGQJDELMXEP-NRFANRHFSA-N 1 0 398.576 4.042 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1COc2ccccc21 ZINC000169097550 823908444 /nfs/dbraw/zinc/90/84/44/823908444.db2.gz FEQMNPRRPZTMFA-BXUZGUMPSA-N 1 0 377.238 4.012 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccncc1C(F)(F)F ZINC000192226171 823908804 /nfs/dbraw/zinc/90/88/04/823908804.db2.gz OBXQRNCEGMWDES-QGZVFWFLSA-N 1 0 391.437 4.085 20 0 GIADRO C[C@H](CC[NH2+][C@H](c1ccccc1)c1cccc(Br)c1)[S@](C)=O ZINC000414099844 823908928 /nfs/dbraw/zinc/90/89/28/823908928.db2.gz VBWIDVLPMUHNLT-KEQGGVEFSA-N 1 0 380.351 4.285 20 0 GIADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)[NH2+][C@H](C)c1cc2n(n1)CCC2 ZINC000414098022 823909408 /nfs/dbraw/zinc/90/94/08/823909408.db2.gz JMJJHQLPHUPNBT-VFVRVIDISA-N 1 0 378.314 4.019 20 0 GIADRO CC(C)c1cc(C[NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)on1 ZINC000169275982 823910776 /nfs/dbraw/zinc/91/07/76/823910776.db2.gz KACYAINCKLNGIK-GFCCVEGCSA-N 1 0 380.286 4.067 20 0 GIADRO O=C(c1cccs1)c1ccccc1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000126616568 823912163 /nfs/dbraw/zinc/91/21/63/823912163.db2.gz QRYMEDTWKVPKJE-JXFKEZNVSA-N 1 0 394.540 4.068 20 0 GIADRO O=C(c1cccs1)c1ccccc1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000126616107 823912316 /nfs/dbraw/zinc/91/23/16/823912316.db2.gz QRYMEDTWKVPKJE-UZLBHIALSA-N 1 0 394.540 4.068 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](c1ccc(Cl)cc1)N(C)CCC(F)(F)F)c1ccn(C)n1 ZINC000414113184 823912589 /nfs/dbraw/zinc/91/25/89/823912589.db2.gz ASJRNTODJUTQTI-DYVFJYSZSA-N 1 0 388.865 4.350 20 0 GIADRO CC(C)CS(=O)(=O)N1CCC([NH2+][C@H]2CC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000414114367 823912991 /nfs/dbraw/zinc/91/29/91/823912991.db2.gz SZBJKWLNRYVVOG-PXNSSMCTSA-N 1 0 399.000 4.016 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(C(C)(C)C)s1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000126619288 823913315 /nfs/dbraw/zinc/91/33/15/823913315.db2.gz CTVBWJZVSCHQMB-CQSZACIVSA-N 1 0 380.579 4.147 20 0 GIADRO COc1ccc([C@H]([NH2+]CCc2cn(C)cn2)c2ccccc2Cl)cc1OC ZINC000414125487 823914943 /nfs/dbraw/zinc/91/49/43/823914943.db2.gz MQYGZQFZFGFFMY-NRFANRHFSA-N 1 0 385.895 4.012 20 0 GIADRO CC(=O)N1CC[C@@H]([NH2+]CCc2cccc(Br)c2)c2ccccc2C1 ZINC000414127547 823915261 /nfs/dbraw/zinc/91/52/61/823915261.db2.gz QHJADVUUHKAYKW-HXUWFJFHSA-N 1 0 387.321 4.075 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)Cn1cc(Br)ccc1=O)c1nc(C(C)(C)C)cs1 ZINC000414126920 823915497 /nfs/dbraw/zinc/91/54/97/823915497.db2.gz RQHMZRKMZWRULQ-NWDGAFQWSA-N 1 0 398.370 4.104 20 0 GIADRO CC[C@H]([NH2+]Cc1cccnc1Oc1cccc(S(C)(=O)=O)c1)[C@H]1CC1(C)C ZINC000414129141 823915836 /nfs/dbraw/zinc/91/58/36/823915836.db2.gz URQPNNNEYNZKNP-MOPGFXCFSA-N 1 0 388.533 4.192 20 0 GIADRO O=C1Nc2ccccc2C12CCC([NH2+]CCc1cccc(Br)c1)CC2 ZINC000414129067 823915984 /nfs/dbraw/zinc/91/59/84/823915984.db2.gz UFLWSYSBMQRTAG-UHFFFAOYSA-N 1 0 399.332 4.414 20 0 GIADRO O=C(CCCOCc1ccccc1)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000064947269 823916466 /nfs/dbraw/zinc/91/64/66/823916466.db2.gz HLTXQDDDMLJGGB-UHFFFAOYSA-N 1 0 398.572 4.213 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]1C[C@@H]1c1ccccc1Cl ZINC000126637892 823916783 /nfs/dbraw/zinc/91/67/83/823916783.db2.gz QWENPFOCBYNYAP-WOJBJXKFSA-N 1 0 383.923 4.214 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H]1C[C@@H]1c1ccccc1Cl ZINC000126638142 823916874 /nfs/dbraw/zinc/91/68/74/823916874.db2.gz QWENPFOCBYNYAP-UXHICEINSA-N 1 0 383.923 4.214 20 0 GIADRO CC(C)(C)C(=O)N1CCC(C[N@@H+]2CCc3cc(Br)ccc3C2)CC1 ZINC000192252277 823917639 /nfs/dbraw/zinc/91/76/39/823917639.db2.gz SZCVWEDQCGUUMX-UHFFFAOYSA-N 1 0 393.369 4.092 20 0 GIADRO CC(C)CN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000064954538 823918263 /nfs/dbraw/zinc/91/82/63/823918263.db2.gz CDNZPTMOZQMPGN-UHFFFAOYSA-N 1 0 386.561 4.095 20 0 GIADRO c1c2c(cc3c1OCCC[C@@H]3[NH2+]CCCc1nnc3n1CCCCC3)CCCC2 ZINC000126645761 823918777 /nfs/dbraw/zinc/91/87/77/823918777.db2.gz KPUMADDQLURCKP-NRFANRHFSA-N 1 0 394.563 4.319 20 0 GIADRO Brc1cccc([C@H]([NH2+][C@H]2CCn3ccnc3C2)c2ccccc2)c1 ZINC000414151813 823918804 /nfs/dbraw/zinc/91/88/04/823918804.db2.gz ZFRCDJYRAPBAHO-AZUAARDMSA-N 1 0 382.305 4.340 20 0 GIADRO Fc1cc(C[NH2+][C@H]2CC[C@@H](c3cccc(Cl)c3)C2)cnc1N1CCOCC1 ZINC000414149864 823918926 /nfs/dbraw/zinc/91/89/26/823918926.db2.gz XVGSMSANTDRTBI-MJGOQNOKSA-N 1 0 389.902 4.137 20 0 GIADRO O=S1(=O)C[C@H](C[NH2+][C@H]2CC[C@@H](c3cccc(Cl)c3)C2)c2ccccc21 ZINC000414149552 823919038 /nfs/dbraw/zinc/91/90/38/823919038.db2.gz UVWJCIKITGDWOM-RYRKJORJSA-N 1 0 375.921 4.137 20 0 GIADRO COCCOC1(C[NH2+][C@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)CCOCC1 ZINC000414154588 823919546 /nfs/dbraw/zinc/91/95/46/823919546.db2.gz ZRKKORNTGUZCDR-QUCCMNQESA-N 1 0 381.944 4.168 20 0 GIADRO C[C@@H](CC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1F ZINC000126655538 823920237 /nfs/dbraw/zinc/92/02/37/823920237.db2.gz HPTNLXTWAGGBBW-INIZCTEOSA-N 1 0 387.474 4.228 20 0 GIADRO CC(C)CCOc1ccccc1CNC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000575139391 823921145 /nfs/dbraw/zinc/92/11/45/823921145.db2.gz JUHWARCATPCSHQ-QFIPXVFZSA-N 1 0 395.547 4.035 20 0 GIADRO C[C@H]([NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl)c1ccc(NS(C)(=O)=O)cc1 ZINC000414164594 823921894 /nfs/dbraw/zinc/92/18/94/823921894.db2.gz AYOCXWMFOZCTRM-FABXCBLPSA-N 1 0 382.888 4.057 20 0 GIADRO C[NH+]1CCC(CNC(=O)CCN2c3ccccc3Sc3ccccc32)CC1 ZINC000170629813 823922042 /nfs/dbraw/zinc/92/20/42/823922042.db2.gz FTOKDVUEXMATCA-UHFFFAOYSA-N 1 0 381.545 4.137 20 0 GIADRO COc1ccc([C@@H](C)N[C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c(F)c1 ZINC000126669702 823923109 /nfs/dbraw/zinc/92/31/09/823923109.db2.gz YHCBFUAHLVZCOV-CVEARBPZSA-N 1 0 389.490 4.137 20 0 GIADRO COc1ccc([C@H]([NH2+]CCC(C)(C)O)c2ccccc2)cc1Br ZINC000462320461 823923766 /nfs/dbraw/zinc/92/37/66/823923766.db2.gz RGKZPYUZCGFEDU-GOSISDBHSA-N 1 0 378.310 4.298 20 0 GIADRO Ic1ccccc1[C@H]1CCC[N@@H+]1CCCc1ccncc1 ZINC000462322872 823924429 /nfs/dbraw/zinc/92/44/29/823924429.db2.gz RFLNHTXGRRUSCK-GOSISDBHSA-N 1 0 392.284 4.456 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1cc(C)on1)c1ccc(C(F)(F)F)cc1 ZINC000065015082 823924684 /nfs/dbraw/zinc/92/46/84/823924684.db2.gz YBOWDALHIHCGHB-HNNXBMFYSA-N 1 0 384.402 4.206 20 0 GIADRO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]C[C@H]1CCC[C@H]1C1CC1 ZINC000414187081 823924853 /nfs/dbraw/zinc/92/48/53/823924853.db2.gz HZIBFSOSJCREKR-FPDPHYFHSA-N 1 0 383.536 4.168 20 0 GIADRO COC1CCC([NH2+][C@H](C)c2ccc(F)c(I)c2)CC1 ZINC000414191634 823925456 /nfs/dbraw/zinc/92/54/56/823925456.db2.gz ULFPOTPPYZXLSO-QFWMXSHPSA-N 1 0 377.241 4.039 20 0 GIADRO Cc1[nH]c2ccc(CNC(=O)N[C@@H]3CCC[N@H+](Cc4ccccc4)C3)cc2c1C ZINC000065018845 823926034 /nfs/dbraw/zinc/92/60/34/823926034.db2.gz WUSIGVVZSZDAIY-OAQYLSRUSA-N 1 0 390.531 4.249 20 0 GIADRO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c(Cl)c1 ZINC000462328589 823926519 /nfs/dbraw/zinc/92/65/19/823926519.db2.gz VAWWBZPMTBMGBZ-KSSFIOAISA-N 1 0 398.981 4.071 20 0 GIADRO C[C@@H](CC(=O)NC1CC([NH+]2CCCCC2)C1)c1ccc(F)c(Br)c1 ZINC000462330339 823927033 /nfs/dbraw/zinc/92/70/33/823927033.db2.gz DVXCANLOZPUNHO-JEYLPNPQSA-N 1 0 397.332 4.215 20 0 GIADRO COc1ccc([C@H](CO)C[NH2+][C@H](C)c2csc(-c3ccccc3F)n2)cc1 ZINC000414200254 823927163 /nfs/dbraw/zinc/92/71/63/823927163.db2.gz XRBYVOXFYXEWFQ-ZBFHGGJFSA-N 1 0 386.492 4.385 20 0 GIADRO CC(C)[C@@H]([NH2+]C[C@@H](CO)Cc1cc(F)cc(Br)c1)c1cccnc1 ZINC000414198910 823927293 /nfs/dbraw/zinc/92/72/93/823927293.db2.gz WQKXDFGRJLLNNV-HNAYVOBHSA-N 1 0 395.316 4.121 20 0 GIADRO COCC[C@@H](C)C[NH2+][C@@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000414201812 823927710 /nfs/dbraw/zinc/92/77/10/823927710.db2.gz MIMRQMGPWOSMTN-NEPJUHHUSA-N 1 0 380.838 4.338 20 0 GIADRO CCn1ccc(C[NH2+][C@H](C)CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1 ZINC000414204133 823928137 /nfs/dbraw/zinc/92/81/37/823928137.db2.gz FQBMYCOCBRSCRC-LLVKDONJSA-N 1 0 388.821 4.082 20 0 GIADRO COCC[C@H](C)C[NH2+][C@H](C)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000414206371 823928457 /nfs/dbraw/zinc/92/84/57/823928457.db2.gz PVKUFMNCJAOSFG-ZWKOTPCHSA-N 1 0 396.597 4.011 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000414208752 823928970 /nfs/dbraw/zinc/92/89/70/823928970.db2.gz JGVUVDHDROJKOR-JSGCOSHPSA-N 1 0 383.863 4.344 20 0 GIADRO c1ccc(CC[C@H](Cc2ccccc2)[NH2+]CCc2nnc3n2CCCCC3)cc1 ZINC000126695195 823929173 /nfs/dbraw/zinc/92/91/73/823929173.db2.gz CWPPTOQOVYRZLX-HSZRJFAPSA-N 1 0 388.559 4.381 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]C2CC(c3cccc(F)c3)C2)c1 ZINC000414211889 823929542 /nfs/dbraw/zinc/92/95/42/823929542.db2.gz PSVOPSAICSQSGY-UHFFFAOYSA-N 1 0 381.900 4.309 20 0 GIADRO Cc1nc(-c2ccc(CNC(=O)CC[N@@H+](C)C3CCCCC3)s2)cs1 ZINC000575176296 823931943 /nfs/dbraw/zinc/93/19/43/823931943.db2.gz NNTVOVFUBSDTCZ-UHFFFAOYSA-N 1 0 377.579 4.451 20 0 GIADRO C[C@@H]1C[C@H]([NH2+][C@@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)CS1 ZINC000414226109 823933853 /nfs/dbraw/zinc/93/38/53/823933853.db2.gz JNVAFLUPSGYXFG-FMEYXAORSA-N 1 0 395.977 4.317 20 0 GIADRO COc1ccc([C@@H](Cc2ccccc2)NC(=O)N2CCC[N@@H+](C(C)C)CC2)cc1 ZINC000462347317 823934395 /nfs/dbraw/zinc/93/43/95/823934395.db2.gz IAKNFWQLOSNZBR-HSZRJFAPSA-N 1 0 395.547 4.105 20 0 GIADRO C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](Oc3ccc(Cl)cc3)c3ccccc3)C2)C1 ZINC000575201522 823937348 /nfs/dbraw/zinc/93/73/48/823937348.db2.gz BAHLCPAVIWSJDB-IRLDBZIGSA-N 1 0 384.907 4.014 20 0 GIADRO O=C(Cc1csc(-c2ccc(Cl)s2)n1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000170684483 823938187 /nfs/dbraw/zinc/93/81/87/823938187.db2.gz VQPNCYVMJCZHQZ-AWEZNQCLSA-N 1 0 395.981 4.154 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@@H](C)c2ccc(F)cc2Br)cn1 ZINC000414244892 823938926 /nfs/dbraw/zinc/93/89/26/823938926.db2.gz LWXHMMWHJOAQKQ-ZJNRKIDTSA-N 1 0 396.304 4.233 20 0 GIADRO CC(=O)N1CC[C@H]([NH2+]CC2(c3c(F)cccc3F)CCC2)c2ccccc2C1 ZINC000414245456 823939297 /nfs/dbraw/zinc/93/92/97/823939297.db2.gz SYPIDHLEGVHYLS-NRFANRHFSA-N 1 0 384.470 4.470 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1cnc(-c2ccccc2Cl)s1)Cc1ccccc1 ZINC000065087021 823939496 /nfs/dbraw/zinc/93/94/96/823939496.db2.gz HAFJXIYPFFSQJU-INIZCTEOSA-N 1 0 399.947 4.366 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@@H](C)c2ccccc2OC(F)(F)F)cn1 ZINC000414248935 823940805 /nfs/dbraw/zinc/94/08/05/823940805.db2.gz PWJKAFGYUVNNAG-SUNYJGFJSA-N 1 0 383.414 4.230 20 0 GIADRO CC[C@H](c1cccc(OC)c1)[N@H+](C)C[C@@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000575213497 823941066 /nfs/dbraw/zinc/94/10/66/823941066.db2.gz FJTOEAHSWYECEL-DENIHFKCSA-N 1 0 381.520 4.106 20 0 GIADRO Cc1cc(C[NH2+]C[C@H](c2ccccc2)N2CCC(C)CC2)ccc1-n1cncn1 ZINC000462362712 823941761 /nfs/dbraw/zinc/94/17/61/823941761.db2.gz XATDOPZLKYXKDC-XMMPIXPASA-N 1 0 389.547 4.139 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@@H](C)c2csc(-c3ccccc3)n2)cn1 ZINC000414253569 823941970 /nfs/dbraw/zinc/94/19/70/823941970.db2.gz UAYMLHHRYJJIQM-RIFZZMRRSA-N 1 0 382.533 4.455 20 0 GIADRO O=C(CCCOc1ccccc1Cl)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000065098882 823942111 /nfs/dbraw/zinc/94/21/11/823942111.db2.gz RJQRCHCNWQPZGG-UHFFFAOYSA-N 1 0 386.923 4.411 20 0 GIADRO CC(=O)NCCc1ccc([C@H](C)[NH2+]Cc2cc(C)ccc2Br)cc1 ZINC000414255484 823942911 /nfs/dbraw/zinc/94/29/11/823942911.db2.gz JRKGDIDBAASHBZ-HNNXBMFYSA-N 1 0 389.337 4.287 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)C2(c3ccc(F)cc3)CCOCC2)c1 ZINC000126757530 823943304 /nfs/dbraw/zinc/94/33/04/823943304.db2.gz VBSGWLIKLSAYMQ-UHFFFAOYSA-N 1 0 398.522 4.032 20 0 GIADRO CN(C(=O)c1cc(Cl)c(Cl)n1C)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000126758179 823943839 /nfs/dbraw/zinc/94/38/39/823943839.db2.gz LYRQEXOIHRAZFB-UHFFFAOYSA-N 1 0 396.318 4.083 20 0 GIADRO CC(=O)N1CC[C@H]([NH2+]Cc2cc(C)ccc2Br)c2ccccc2C1 ZINC000414263630 823945228 /nfs/dbraw/zinc/94/52/28/823945228.db2.gz PLAROEXQMUVVLU-FQEVSTJZSA-N 1 0 387.321 4.341 20 0 GIADRO CO[C@@](C)(C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1)c1ccccc1F ZINC000192321102 823945692 /nfs/dbraw/zinc/94/56/92/823945692.db2.gz ZHHXERWKJZCGBP-UZUQRXQVSA-N 1 0 384.495 4.029 20 0 GIADRO CC(C)(CC[NH2+][C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1)S(C)(=O)=O ZINC000414267960 823947005 /nfs/dbraw/zinc/94/70/05/823947005.db2.gz UDXVJZUCDBOCFY-CVEARBPZSA-N 1 0 377.472 4.144 20 0 GIADRO O=C(c1ccc(Sc2ccccn2)cc1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000126774683 823948048 /nfs/dbraw/zinc/94/80/48/823948048.db2.gz BHVLBFGSGIOHQL-NQIIRXRSSA-N 1 0 393.556 4.322 20 0 GIADRO Cc1oc(-c2cccs2)nc1C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000065140338 823949952 /nfs/dbraw/zinc/94/99/52/823949952.db2.gz OSCRYLJTTDIEGS-YOEHRIQHSA-N 1 0 381.501 4.277 20 0 GIADRO CC(C)NS(=O)(=O)Cc1ccc(C[NH2+]Cc2ccc(C(C)(C)C)s2)cc1 ZINC000126784643 823950317 /nfs/dbraw/zinc/95/03/17/823950317.db2.gz GWHCBDLLPQHYQL-UHFFFAOYSA-N 1 0 394.606 4.163 20 0 GIADRO CC[C@@H]([NH2+]C[C@@H]1CCO[C@H]1c1cnn(C)c1)c1ccccc1Br ZINC000414281292 823950443 /nfs/dbraw/zinc/95/04/43/823950443.db2.gz FNSAHYORTYAARP-MORSLUCNSA-N 1 0 378.314 4.001 20 0 GIADRO COc1cc(C)c([C@H](C)[NH2+]Cc2cn(-c3cccc(F)c3)nc2C)cc1OC ZINC000414280330 823950602 /nfs/dbraw/zinc/95/06/02/823950602.db2.gz CRTRHEMFOHKPOZ-INIZCTEOSA-N 1 0 383.467 4.496 20 0 GIADRO Cc1nn(-c2cccc(F)c2)cc1C[NH2+]Cc1ccc(NC(=O)C(C)C)cc1 ZINC000414280455 823950673 /nfs/dbraw/zinc/95/06/73/823950673.db2.gz LFLLNEDMMOPDRP-UHFFFAOYSA-N 1 0 380.467 4.204 20 0 GIADRO COc1ccccc1-c1nc(C2CC[NH+](CCCOc3ccccc3)CC2)no1 ZINC000192337287 823950999 /nfs/dbraw/zinc/95/09/99/823950999.db2.gz VACXSNNTOORLHY-UHFFFAOYSA-N 1 0 393.487 4.394 20 0 GIADRO COc1ccccc1-c1nc(C2CC[NH+](CCC(=O)c3ccccc3)CC2)no1 ZINC000192337908 823951614 /nfs/dbraw/zinc/95/16/14/823951614.db2.gz CGECOXQQLNEUEI-UHFFFAOYSA-N 1 0 391.471 4.198 20 0 GIADRO COc1ccccc1-c1nc(C2CC[NH+](CCOc3ccc(F)cc3)CC2)no1 ZINC000192342357 823953691 /nfs/dbraw/zinc/95/36/91/823953691.db2.gz TXXJODXESJAKBE-UHFFFAOYSA-N 1 0 397.450 4.143 20 0 GIADRO Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000414298231 823953634 /nfs/dbraw/zinc/95/36/34/823953634.db2.gz GVKWZIPDLCLOMC-MRXNPFEDSA-N 1 0 392.478 4.297 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]C[C@H](CO)c2ccc(F)cc2)cc1Br ZINC000414300508 823953974 /nfs/dbraw/zinc/95/39/74/823953974.db2.gz AVQVBXSWWXKGDQ-IUODEOHRSA-N 1 0 382.273 4.024 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCCc2c(O)cccc21)C(=O)Nc1ccccc1Br ZINC000192346476 823955083 /nfs/dbraw/zinc/95/50/83/823955083.db2.gz KXYBPTUCYMZCGR-MLGOLLRUSA-N 1 0 389.293 4.149 20 0 GIADRO CCC(CC)[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)c1ccccc1 ZINC000414309891 823955134 /nfs/dbraw/zinc/95/51/34/823955134.db2.gz HHDDWESPBZIMCW-IBGZPJMESA-N 1 0 380.941 4.255 20 0 GIADRO COCCCC[N@H+](CC(=O)N1c2ccccc2CC[C@@H]1C)Cc1ccccc1 ZINC000065165103 823955521 /nfs/dbraw/zinc/95/55/21/823955521.db2.gz AUAMOIBXDBVODR-FQEVSTJZSA-N 1 0 380.532 4.283 20 0 GIADRO O=C1CC[C@@H](c2cccc(N[C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)c2)N1 ZINC000414310441 823955629 /nfs/dbraw/zinc/95/56/29/823955629.db2.gz HNEIIPUSLKDSTL-GPJHCHHRSA-N 1 0 375.516 4.245 20 0 GIADRO COc1cc([C@H](C)[NH2+]Cc2ccc(C(F)(F)F)c(C)c2)ccc1OCCO ZINC000414311560 823955826 /nfs/dbraw/zinc/95/58/26/823955826.db2.gz IVEVHENIPSALGK-AWEZNQCLSA-N 1 0 383.410 4.244 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)C2CCCC2)C1)c1ccc(F)c(Br)c1 ZINC000126807917 823956326 /nfs/dbraw/zinc/95/63/26/823956326.db2.gz DQYUFBPNTYYVQE-IUODEOHRSA-N 1 0 383.305 4.030 20 0 GIADRO CN(CC[N@H+](C)C1CCCCC1)c1cc(C(F)(F)F)nc(-c2ccncc2)n1 ZINC000462390883 823956882 /nfs/dbraw/zinc/95/68/82/823956882.db2.gz ZSBDQJFTDCNTJT-UHFFFAOYSA-N 1 0 393.457 4.258 20 0 GIADRO CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2c2ccccc2)cc1 ZINC000414320471 823957837 /nfs/dbraw/zinc/95/78/37/823957837.db2.gz PMJKLNCMQSILHW-UQJUWTFNSA-N 1 0 393.531 4.137 20 0 GIADRO c1nc(-c2ccccc2)sc1CNC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000192356051 823957926 /nfs/dbraw/zinc/95/79/26/823957926.db2.gz QJPVZBOMVSQBMQ-OAQYLSRUSA-N 1 0 393.556 4.191 20 0 GIADRO Cc1cc(C[NH2+]C2CCN(C(=O)c3ccccc3O)CC2)ccc1C(F)(F)F ZINC000414320164 823958065 /nfs/dbraw/zinc/95/80/65/823958065.db2.gz PIZPYVGDZMLQOX-UHFFFAOYSA-N 1 0 392.421 4.114 20 0 GIADRO CC1CC[NH+](C2CCC(NC(=O)N3CC[C@](F)(c4ccccc4)C3)CC2)CC1 ZINC000575334605 823958226 /nfs/dbraw/zinc/95/82/26/823958226.db2.gz XBIILJDNPFHWBZ-YDPRHXJPSA-N 1 0 387.543 4.310 20 0 GIADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CCC2)cc1Cl ZINC000414324803 823958271 /nfs/dbraw/zinc/95/82/71/823958271.db2.gz BZIYSRDDMMWNTL-GOSISDBHSA-N 1 0 399.343 4.272 20 0 GIADRO OC[C@@H]1CCC[C@H]([NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000414328788 823959408 /nfs/dbraw/zinc/95/94/08/823959408.db2.gz CPLWHGAMQYBRSW-MDASCCDHSA-N 1 0 382.342 4.058 20 0 GIADRO C[C@H](Cc1cn(C)c2ccc(F)cc12)[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000414337624 823960795 /nfs/dbraw/zinc/96/07/95/823960795.db2.gz DRMQJIBWIXMNDF-CABCVRRESA-N 1 0 388.508 4.003 20 0 GIADRO C[N@@H+]1CCC[C@@H]1CCSc1nnc(-c2ccccc2F)n1Cc1ccco1 ZINC000126832060 823962191 /nfs/dbraw/zinc/96/21/91/823962191.db2.gz LFLUFHOLWOQHDY-OAHLLOKOSA-N 1 0 386.496 4.302 20 0 GIADRO C[C@@H]([NH2+]C1CCN(Cc2cccc(Br)c2)CC1)c1ccc(F)cn1 ZINC000414348727 823962944 /nfs/dbraw/zinc/96/29/44/823962944.db2.gz JNPBEITYPCJTMK-CQSZACIVSA-N 1 0 392.316 4.298 20 0 GIADRO C[C@H]([NH2+]C[C@@H]1CCCN(Cc2cccs2)C1)c1cccc(N2CCCC2=O)c1 ZINC000126838697 823963336 /nfs/dbraw/zinc/96/33/36/823963336.db2.gz XUFANAKTFSQJOK-OALUTQOASA-N 1 0 397.588 4.438 20 0 GIADRO CCn1c(COc2ccc(Cl)cc2)nnc1SCC[C@@H]1CCC[N@@H+]1C ZINC000126838246 823963411 /nfs/dbraw/zinc/96/34/11/823963411.db2.gz AAOYEHJEFACWLP-HNNXBMFYSA-N 1 0 380.945 4.107 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)CSC[C@@H]3CCCCO3)cc2)C1 ZINC000170758710 823963760 /nfs/dbraw/zinc/96/37/60/823963760.db2.gz QSBHOSUFOBOLQG-PXNSSMCTSA-N 1 0 376.566 4.159 20 0 GIADRO C[C@@H]([NH2+]C1CCN(Cc2cccc(Br)c2)CC1)c1cccc(O)c1 ZINC000414355801 823963882 /nfs/dbraw/zinc/96/38/82/823963882.db2.gz XVHNFXYKLRSOOM-OAHLLOKOSA-N 1 0 389.337 4.470 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)Nc1ccn2ccnc2c1 ZINC000575371004 823964334 /nfs/dbraw/zinc/96/43/34/823964334.db2.gz XCPRGEXCTKXQHB-UHFFFAOYSA-N 1 0 377.492 4.032 20 0 GIADRO COc1cc(C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)ccc1OC(F)F ZINC000170764076 823965152 /nfs/dbraw/zinc/96/51/52/823965152.db2.gz YVBAWDYNAWYCNN-UHFFFAOYSA-N 1 0 390.430 4.147 20 0 GIADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H](CC2CCCC2)c2ccccc2)cc1Cl ZINC000414361791 823965473 /nfs/dbraw/zinc/96/54/73/823965473.db2.gz CWXOJPMYPUVEFP-IBGZPJMESA-N 1 0 392.952 4.399 20 0 GIADRO Cc1cc(CNc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)ccc1C(F)(F)F ZINC000414364490 823965757 /nfs/dbraw/zinc/96/57/57/823965757.db2.gz YQCLDDKGLSLKBH-IBGZPJMESA-N 1 0 391.437 4.076 20 0 GIADRO C[C@@H]1C[C@@H]1[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)c1ccc(Cl)cc1 ZINC000414363331 823965789 /nfs/dbraw/zinc/96/57/89/823965789.db2.gz XQAOBISFHCBKMC-PSZVPEGOSA-N 1 0 399.343 4.128 20 0 GIADRO COc1ccc2oc(C[NH2+][C@@H](CO)c3cccc(Br)c3)cc2c1 ZINC000126848818 823965800 /nfs/dbraw/zinc/96/58/00/823965800.db2.gz CEEHVZCUJLLSJR-KRWDZBQOSA-N 1 0 376.250 4.027 20 0 GIADRO O=C([C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1)N1CCC([NH2+]C2CCCC2)CC1 ZINC000126851640 823966625 /nfs/dbraw/zinc/96/66/25/823966625.db2.gz BOOLOJHRYRLPGM-RBUKOAKNSA-N 1 0 380.454 4.332 20 0 GIADRO CC[C@H](Oc1ccccc1F)C(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000575411799 823968346 /nfs/dbraw/zinc/96/83/46/823968346.db2.gz CFLVKGXPRRDDGN-URXFXBBRSA-N 1 0 396.506 4.108 20 0 GIADRO CC[C@@H](Oc1ccccc1F)C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000575411801 823968380 /nfs/dbraw/zinc/96/83/80/823968380.db2.gz CFLVKGXPRRDDGN-ZJSXRUAMSA-N 1 0 396.506 4.108 20 0 GIADRO C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)N1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000575427669 823969788 /nfs/dbraw/zinc/96/97/88/823969788.db2.gz XSOPYPXUEAOFRB-HOTGVXAUSA-N 1 0 389.927 4.241 20 0 GIADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Nc1ncc(C(C)C)s1 ZINC000192396909 823970380 /nfs/dbraw/zinc/97/03/80/823970380.db2.gz GARBVLAESUGLQW-UHFFFAOYSA-N 1 0 380.480 4.395 20 0 GIADRO CCN(CC)c1ccc(C[NH2+][C@H](C)c2ccc(OC)c(Cn3cccn3)c2)cn1 ZINC000126870549 823970958 /nfs/dbraw/zinc/97/09/58/823970958.db2.gz JRXOAROVISMOLK-GOSISDBHSA-N 1 0 393.535 4.032 20 0 GIADRO Cc1nc([C@H]2CCCOC2)sc1C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000575447006 823971749 /nfs/dbraw/zinc/97/17/49/823971749.db2.gz TYCKXDCFCLWMEQ-SFHVURJKSA-N 1 0 399.560 4.236 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)Nc2ccccc2C(F)(F)F)c(F)c1 ZINC000414399044 823971873 /nfs/dbraw/zinc/97/18/73/823971873.db2.gz BISABULDEOUNHK-UHFFFAOYSA-N 1 0 385.361 4.429 20 0 GIADRO Cn1cc(C[N@H+](C)[C@@H](CCO)c2ccccc2)c(-c2cc3ccccc3o2)n1 ZINC000126894073 823975685 /nfs/dbraw/zinc/97/56/85/823975685.db2.gz JBHKXVDQARRGGW-FQEVSTJZSA-N 1 0 375.472 4.389 20 0 GIADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc(-c2ccccc2C(F)(F)F)on1 ZINC000462440874 823976269 /nfs/dbraw/zinc/97/62/69/823976269.db2.gz MLXFEENOERUBDV-SUMWQHHRSA-N 1 0 393.409 4.059 20 0 GIADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc(-c2ccccc2C(F)(F)F)on1 ZINC000462441503 823976524 /nfs/dbraw/zinc/97/65/24/823976524.db2.gz PJWBRSXLSKJDDB-UONOGXRCSA-N 1 0 393.409 4.059 20 0 GIADRO CSC1(CNC(=O)Nc2cc(Cl)c(C)cc2Cl)CC[NH+](C)CC1 ZINC000575625604 823979303 /nfs/dbraw/zinc/97/93/03/823979303.db2.gz RHWGGIQFRHNISN-UHFFFAOYSA-N 1 0 376.353 4.251 20 0 GIADRO Cc1cc(NC(=O)N2CCC(n3ccnc3)CC2)cc(C)c1Br ZINC000192417546 823980414 /nfs/dbraw/zinc/98/04/14/823980414.db2.gz WBTNJDWBYYNJMV-UHFFFAOYSA-N 1 0 377.286 4.131 20 0 GIADRO C[C@H](O)[C@](C)(C[NH2+][C@@H](C)c1ccc(Br)cn1)Cc1ccccc1 ZINC000575651490 823981868 /nfs/dbraw/zinc/98/18/68/823981868.db2.gz JKYUAJIRRXZCHR-DOXZYTNZSA-N 1 0 377.326 4.125 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cc(C(F)(F)F)ccn1 ZINC000192420224 823982805 /nfs/dbraw/zinc/98/28/05/823982805.db2.gz XDGHLPHIMDUCQF-MRXNPFEDSA-N 1 0 392.425 4.086 20 0 GIADRO Cc1nn(-c2cccc(F)c2)cc1CNc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000414429057 823982998 /nfs/dbraw/zinc/98/29/98/823982998.db2.gz BVTMMLFCUXXOSG-NRFANRHFSA-N 1 0 380.467 4.317 20 0 GIADRO CC1CC[NH+](C[C@H]2CCCN(C(=O)Nc3cc(C(F)(F)F)ccn3)C2)CC1 ZINC000192421376 823983791 /nfs/dbraw/zinc/98/37/91/823983791.db2.gz CMCVMXJXBRMUNX-OAHLLOKOSA-N 1 0 384.446 4.076 20 0 GIADRO C[C@@H](c1ccc(F)c(F)c1)[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000170834636 823985480 /nfs/dbraw/zinc/98/54/80/823985480.db2.gz NTQWNLQCOGEZKF-ZDUSSCGKSA-N 1 0 388.414 4.105 20 0 GIADRO Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000414435329 823985603 /nfs/dbraw/zinc/98/56/03/823985603.db2.gz QWSQFZFTOXOEGL-RBBKRZOGSA-N 1 0 383.442 4.469 20 0 GIADRO O=C(Nc1cc(C(F)(F)F)ccn1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000192425415 823987520 /nfs/dbraw/zinc/98/75/20/823987520.db2.gz XGCAYKYHLNATJM-HNNXBMFYSA-N 1 0 384.446 4.220 20 0 GIADRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)Nc1cc(C(F)(F)F)ccn1 ZINC000192426236 823987996 /nfs/dbraw/zinc/98/79/96/823987996.db2.gz SUNBHMDIOCHECL-UHFFFAOYSA-N 1 0 398.454 4.196 20 0 GIADRO CCOc1c(OC)cc(C[NH2+][C@@H]2CCCc3nc(CC)sc32)cc1OC ZINC000126961973 823990014 /nfs/dbraw/zinc/99/00/14/823990014.db2.gz QAZVLCRBJQDBJB-CQSZACIVSA-N 1 0 376.522 4.289 20 0 GIADRO CCO[C@@H]1C[C@H](N(C)Cc2nc3ccc(Cl)cc3c(=O)[nH]2)C12CCCC2 ZINC000575771030 823990422 /nfs/dbraw/zinc/99/04/22/823990422.db2.gz XECDKJDHEDTWAD-DLBZAZTESA-N 1 0 375.900 4.158 20 0 GIADRO COc1cc(C[NH+]2CCC(c3ccncn3)CC2)ccc1OCc1ccccc1 ZINC000414470490 823990633 /nfs/dbraw/zinc/99/06/33/823990633.db2.gz MDIPHXIJOVRDAL-UHFFFAOYSA-N 1 0 389.499 4.444 20 0 GIADRO FC(F)(F)c1ccc(-n2cc(C[NH+]3CCC(c4ccncn4)CC3)cn2)cc1 ZINC000414473626 823991373 /nfs/dbraw/zinc/99/13/73/823991373.db2.gz WHAIFOSGBTWVCK-UHFFFAOYSA-N 1 0 387.409 4.061 20 0 GIADRO Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]Cc1ccc(C)c2ccccc12 ZINC000414477892 823991971 /nfs/dbraw/zinc/99/19/71/823991971.db2.gz DQAQROKJGUDPIG-UHFFFAOYSA-N 1 0 377.410 4.421 20 0 GIADRO COc1ccc(CNc2ccc(C[NH+](C)C)cc2F)cc1OCc1cccnc1 ZINC000414484938 823993082 /nfs/dbraw/zinc/99/30/82/823993082.db2.gz IIQMVZQGFKLOTL-UHFFFAOYSA-N 1 0 395.478 4.482 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+]Cc2ccc(-c3ccccc3OC)cc2)cn1 ZINC000414499034 823995857 /nfs/dbraw/zinc/99/58/57/823995857.db2.gz BQUURBXYVHWOJZ-GBXCKJPGSA-N 1 0 391.515 4.446 20 0 GIADRO COc1ccc(CNc2ccc(C[NH+](C)C)cc2F)c(OCc2cccnc2)c1 ZINC000414498881 823995865 /nfs/dbraw/zinc/99/58/65/823995865.db2.gz NRAYSCOTNLBIHZ-UHFFFAOYSA-N 1 0 395.478 4.482 20 0 GIADRO CC[N@H+](Cc1cc(-c2ccc(C)cc2)no1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000170872967 823996309 /nfs/dbraw/zinc/99/63/09/823996309.db2.gz WJHQUPWZWYDSGH-UHFFFAOYSA-N 1 0 377.488 4.374 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+]C[C@H](C)c2cccc(Br)c2)cn1 ZINC000414504498 823996879 /nfs/dbraw/zinc/99/68/79/823996879.db2.gz ORUSONJCFVOOJV-URLQWDBASA-N 1 0 392.341 4.136 20 0 GIADRO c1ccc(C[N@H+]2CC[C@@H]3CN(Cc4cnc(-c5ccccc5)nc4)C[C@@H]3C2)cc1 ZINC000575790627 823996915 /nfs/dbraw/zinc/99/69/15/823996915.db2.gz PZPFTZLQCZTKMR-RPWUZVMVSA-N 1 0 384.527 4.098 20 0 GIADRO COc1cc(C[NH2+][C@H]2CS[C@@H](C)C2)cc(Br)c1OC(F)F ZINC000414505424 823997583 /nfs/dbraw/zinc/99/75/83/823997583.db2.gz UPDXKWAPZYHMTO-WCBMZHEXSA-N 1 0 382.270 4.043 20 0 GIADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]C[C@@H]1C[C@H](C)O[C@@H]1C ZINC000414510028 823998066 /nfs/dbraw/zinc/99/80/66/823998066.db2.gz DEWWWQXMDSAJPY-MAZHCROVSA-N 1 0 392.341 4.155 20 0 GIADRO C/C(=C\c1ccccc1OC(F)F)C[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000575794031 823998228 /nfs/dbraw/zinc/99/82/28/823998228.db2.gz PYFSSOJWYCVYME-TYZQSYOASA-N 1 0 379.369 4.327 20 0 GIADRO COc1cc(C[NH2+]C[C@@H]2C[C@H](C)O[C@H]2C)cc(OC)c1OCc1ccccc1 ZINC000414510872 823998417 /nfs/dbraw/zinc/99/84/17/823998417.db2.gz FWHYKKSFGKLJMO-ZWOKBUDYSA-N 1 0 385.504 4.186 20 0 GIADRO COCC1CCC([NH2+]Cc2csc(N(C(C)=O)c3ccc(C)cc3)n2)CC1 ZINC000414510798 823998520 /nfs/dbraw/zinc/99/85/20/823998520.db2.gz IUOIBIWOVHWFNR-UHFFFAOYSA-N 1 0 387.549 4.431 20 0 GIADRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)c1cc(Cl)c(Cl)[nH]1)c1ccccc1O2 ZINC000192461472 823999156 /nfs/dbraw/zinc/99/91/56/823999156.db2.gz AXFLVWUHTYRKAZ-OAHLLOKOSA-N 1 0 394.302 4.040 20 0 GIADRO Cc1ccc([C@H](OC[C@H](O)C[NH2+]CC2(C(F)F)CC2)c2ccccc2)cc1 ZINC000575797229 823999195 /nfs/dbraw/zinc/99/91/95/823999195.db2.gz REWOIDDXVLLERX-WOJBJXKFSA-N 1 0 375.459 4.097 20 0 GIADRO CC1CC[NH+]([C@@H](CNC(=O)N(Cc2cccnc2)C2CC2)c2cccs2)CC1 ZINC000170883261 823999740 /nfs/dbraw/zinc/99/97/40/823999740.db2.gz YDTLFAQZGLTBGY-FQEVSTJZSA-N 1 0 398.576 4.290 20 0 GIADRO COc1ccc(NC(=O)C[N@H+](CC(C)C)[C@@H]2CCCc3cccnc32)cc1OC ZINC000127007552 823999939 /nfs/dbraw/zinc/99/99/39/823999939.db2.gz KOWDYDLZQVHKIS-LJQANCHMSA-N 1 0 397.519 4.073 20 0 GIADRO COc1ccccc1C(C)(C)NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000170886740 824000682 /nfs/dbraw/zinc/00/06/82/824000682.db2.gz NMCFTICFCHDRKL-UHFFFAOYSA-N 1 0 381.520 4.026 20 0 GIADRO COCc1ccccc1/C=C(\C)C[NH2+][C@H](c1ccccc1)C1(CO)CCOCC1 ZINC000414522185 824000826 /nfs/dbraw/zinc/00/08/26/824000826.db2.gz BEONPTOTPMPASD-ZOSFRFIDSA-N 1 0 395.543 4.356 20 0 GIADRO OCC1([C@H]([NH2+]Cc2cccc(OC(F)(F)F)c2)c2ccccc2)CCOCC1 ZINC000414522146 824000888 /nfs/dbraw/zinc/00/08/88/824000888.db2.gz AWGCVSXIYPWSDD-LJQANCHMSA-N 1 0 395.421 4.205 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@@H](c1ccccc1)c1cccnc1 ZINC000170893500 824002353 /nfs/dbraw/zinc/00/23/53/824002353.db2.gz CQMOXERNJVIREF-KNQAVFIVSA-N 1 0 380.536 4.125 20 0 GIADRO C[C@@H]([NH2+]C[C@H]1CCN(C(=O)c2ccccc2)C1)c1ccc(Br)s1 ZINC000575817200 824002597 /nfs/dbraw/zinc/00/25/97/824002597.db2.gz GMPDDCMVIIAOMS-ZIAGYGMSSA-N 1 0 393.350 4.324 20 0 GIADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]C[C@H]1CCSC1 ZINC000575827181 824005051 /nfs/dbraw/zinc/00/50/51/824005051.db2.gz ONTQIEITTNXNKA-CQSZACIVSA-N 1 0 380.355 4.094 20 0 GIADRO OC[C@H]([NH2+]Cc1ccc(-c2ccc(C(F)(F)F)cc2)s1)[C@H]1CCCOC1 ZINC000414539044 824005307 /nfs/dbraw/zinc/00/53/07/824005307.db2.gz ASRVZLNNRNVLAE-YOEHRIQHSA-N 1 0 385.451 4.311 20 0 GIADRO Cc1cc(C[NH2+][C@H](c2ccccc2)C2(CO)CCOCC2)cc2cccnc12 ZINC000414539822 824005929 /nfs/dbraw/zinc/00/59/29/824005929.db2.gz OAWAEJLNAUWJIV-HSZRJFAPSA-N 1 0 376.500 4.163 20 0 GIADRO Cn1c2ccc(C[NH2+]Cc3ccc(Oc4ccc(F)cc4)nc3)cc2sc1=O ZINC000192482212 824007853 /nfs/dbraw/zinc/00/78/53/824007853.db2.gz GXOCDCAPRJHJFQ-UHFFFAOYSA-N 1 0 395.459 4.216 20 0 GIADRO COc1cc2ccccc2cc1C[NH2+][C@H](c1ccccc1)C1(CO)CCOCC1 ZINC000414547461 824008018 /nfs/dbraw/zinc/00/80/18/824008018.db2.gz ZQCGRZMPNWMMCL-XMMPIXPASA-N 1 0 391.511 4.468 20 0 GIADRO Cc1ccc(NC(=O)C[NH2+][C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)c(C)c1 ZINC000575839467 824009273 /nfs/dbraw/zinc/00/92/73/824009273.db2.gz IPPVOVZGWRWIOF-TZIWHRDSSA-N 1 0 389.902 4.069 20 0 GIADRO CC[NH+]1CCC(n2nccc2NC(=O)[C@@H](C)Oc2cccc3ccccc32)CC1 ZINC000192499398 824012098 /nfs/dbraw/zinc/01/20/98/824012098.db2.gz OLUFAISZERDYKM-QGZVFWFLSA-N 1 0 392.503 4.099 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+]Cc2cc(F)cc3c2OCOC3)cc1OCC ZINC000192501197 824012491 /nfs/dbraw/zinc/01/24/91/824012491.db2.gz TVQORSMMNBHXLC-AWEZNQCLSA-N 1 0 375.440 4.340 20 0 GIADRO COc1ccc(-n2cc(C[N@@H+]3CC4(CCOCC4)[C@@H]3c3ccccc3)cn2)cc1 ZINC000414559445 824012676 /nfs/dbraw/zinc/01/26/76/824012676.db2.gz PUCGDGXKMZMYGR-QHCPKHFHSA-N 1 0 389.499 4.235 20 0 GIADRO O=C(CCc1ccc(Cl)s1)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000127080175 824013399 /nfs/dbraw/zinc/01/33/99/824013399.db2.gz IESGUHNSBBUZNH-UHFFFAOYSA-N 1 0 392.952 4.177 20 0 GIADRO O=C(C[NH2+][C@@H](c1ccccc1)C1CC1)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000192504943 824013452 /nfs/dbraw/zinc/01/34/52/824013452.db2.gz LVHMTHYVTWWODD-CVDCTZTESA-N 1 0 389.455 4.291 20 0 GIADRO COc1ccc(NC(=O)C[N@H+](CC(C)C)[C@H]2CCCc3cccnc32)c(OC)c1 ZINC000127089997 824014867 /nfs/dbraw/zinc/01/48/67/824014867.db2.gz XSYDZZJULZOTBI-FQEVSTJZSA-N 1 0 397.519 4.073 20 0 GIADRO Cc1cc(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c(C)n1[C@H](C)c1ccccc1 ZINC000127098548 824017136 /nfs/dbraw/zinc/01/71/36/824017136.db2.gz RFCUWEPUCURNRK-TZIWHRDSSA-N 1 0 379.548 4.272 20 0 GIADRO C[C@@H](c1ccncc1)N(C)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000127116113 824020805 /nfs/dbraw/zinc/02/08/05/824020805.db2.gz BGTQJASHZUTYBJ-MOPGFXCFSA-N 1 0 380.536 4.359 20 0 GIADRO [NH3+][C@@H]1CN(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)C[C@H]1c1ccccc1 ZINC000414665581 824021757 /nfs/dbraw/zinc/02/17/57/824021757.db2.gz FBHLBNAZJHFDJE-DZGCQCFKSA-N 1 0 383.801 4.317 20 0 GIADRO C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H](CCC(=O)[O-])Cc2ccccc2)CC1 ZINC000414665212 824021801 /nfs/dbraw/zinc/02/18/01/824021801.db2.gz UHWLQTVOJKEPIC-GBXCKJPGSA-N 1 0 394.559 4.148 20 0 GIADRO CC(C)c1ccc([C@@H](NC(=O)C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)C(C)C)cc1 ZINC000414668321 824022092 /nfs/dbraw/zinc/02/20/92/824022092.db2.gz ZZRWHTLTEQBPDB-IERDGZPVSA-N 1 0 381.520 4.282 20 0 GIADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C[C@H]21 ZINC000414678620 824023212 /nfs/dbraw/zinc/02/32/12/824023212.db2.gz KWZMONPBHHTXDY-CUOATXAZSA-N 1 0 395.347 4.315 20 0 GIADRO O=c1cc(C[NH2+]C2(c3ccc(F)cc3)CCOCC2)c2cc3c(cc2o1)CCC3 ZINC000170971836 824023507 /nfs/dbraw/zinc/02/35/07/824023507.db2.gz FPZRZMHVJWPDJY-UHFFFAOYSA-N 1 0 393.458 4.216 20 0 GIADRO C[NH2+][C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(Br)cc3)cc2)C1 ZINC000414722875 824027072 /nfs/dbraw/zinc/02/70/72/824027072.db2.gz GPCMFSMFTIDXHW-HNNXBMFYSA-N 1 0 390.281 4.067 20 0 GIADRO CCOc1ccc(Oc2ccc(NC(=O)N3CCC(C[NH2+]C)CC3)cc2)cc1 ZINC000414721401 824027109 /nfs/dbraw/zinc/02/71/09/824027109.db2.gz BYJJIBPZZWEZLQ-UHFFFAOYSA-N 1 0 383.492 4.341 20 0 GIADRO CCC[N@H+](CC)C[C@H](C)NC(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1C ZINC000575910489 824027356 /nfs/dbraw/zinc/02/73/56/824027356.db2.gz YSLFZRZMQUROGM-SFHVURJKSA-N 1 0 396.535 4.489 20 0 GIADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)C1 ZINC000414723510 824027387 /nfs/dbraw/zinc/02/73/87/824027387.db2.gz CEVDVGMIXBFVLP-GDBMZVCRSA-N 1 0 380.517 4.088 20 0 GIADRO CCN(C(=O)C[NH2+][C@H](c1ccccc1)C(C)(C)CO)[C@H](C)c1ccc(F)cc1 ZINC000575910226 824027441 /nfs/dbraw/zinc/02/74/41/824027441.db2.gz MKOLIVDPRWMVOI-VGOFRKELSA-N 1 0 386.511 4.085 20 0 GIADRO CCN(C(=O)C[NH2+][C@@H](c1ccccc1)C(C)(C)CO)[C@H](C)c1ccc(F)cc1 ZINC000575910227 824027555 /nfs/dbraw/zinc/02/75/55/824027555.db2.gz MKOLIVDPRWMVOI-VGSWGCGISA-N 1 0 386.511 4.085 20 0 GIADRO CC[C@@H](C(=O)Nc1ccc(CN(C(C)=O)C(C)C)cc1)[N@H+](C)Cc1ccccc1 ZINC000575912166 824028069 /nfs/dbraw/zinc/02/80/69/824028069.db2.gz JGGWBJFFUQTHGH-QHCPKHFHSA-N 1 0 395.547 4.293 20 0 GIADRO Cc1cccc(Oc2ccc(Cl)cc2NC(=O)N2CCCO[C@@H](C[NH3+])C2)c1 ZINC000414726489 824028453 /nfs/dbraw/zinc/02/84/53/824028453.db2.gz OBROWJIMMOVEOX-KRWDZBQOSA-N 1 0 389.883 4.022 20 0 GIADRO CCOc1ccc(Oc2ccc(NC(=O)N3CCC([C@@H](C)[NH3+])CC3)cc2)cc1 ZINC000414727163 824028758 /nfs/dbraw/zinc/02/87/58/824028758.db2.gz OQSDGQJLOSOCFS-MRXNPFEDSA-N 1 0 383.492 4.469 20 0 GIADRO CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H](c2ccccc2)C(CC)CC)c1 ZINC000414728245 824028812 /nfs/dbraw/zinc/02/88/12/824028812.db2.gz NZGXSGPVBZGVMW-NRFANRHFSA-N 1 0 381.520 4.028 20 0 GIADRO CCCO[C@@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2Br)CC1 ZINC000170989434 824028988 /nfs/dbraw/zinc/02/89/88/824028988.db2.gz KCIFJTQLSGTAGC-OAHLLOKOSA-N 1 0 386.330 4.247 20 0 GIADRO C[C@@H]1CN(C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)CC[C@H]1[NH3+] ZINC000414732051 824029631 /nfs/dbraw/zinc/02/96/31/824029631.db2.gz UIANWWROXGJASE-RHSMWYFYSA-N 1 0 380.517 4.088 20 0 GIADRO C[C@H]1C[C@@H](NC(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)CC[NH2+]1 ZINC000414732984 824030124 /nfs/dbraw/zinc/03/01/24/824030124.db2.gz JFAPPPWFNSZMRK-JQWIXIFHSA-N 1 0 399.347 4.303 20 0 GIADRO Cc1ccc(Sc2ccc(NC(=O)N3CCCO[C@H](C[NH3+])C3)cc2)c(C)c1 ZINC000414732725 824030146 /nfs/dbraw/zinc/03/01/46/824030146.db2.gz UTAIWMULDGBDKV-GOSISDBHSA-N 1 0 385.533 4.036 20 0 GIADRO C[C@H]1CN(C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)CC[C@@H]1[NH3+] ZINC000414744888 824031936 /nfs/dbraw/zinc/03/19/36/824031936.db2.gz WTPVLNGTNGJYTK-HZMBPMFUSA-N 1 0 399.347 4.242 20 0 GIADRO CC[NH2+]Cc1cccc(NC(=O)C(=O)N(CC)[C@@H](C)c2cc3ccccc3o2)c1 ZINC000414759742 824033605 /nfs/dbraw/zinc/03/36/05/824033605.db2.gz WYUXDGFDPFLBKJ-INIZCTEOSA-N 1 0 393.487 4.091 20 0 GIADRO CCN(Cc1c(F)cccc1F)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000171005239 824034207 /nfs/dbraw/zinc/03/42/07/824034207.db2.gz XYBMVZKKFZLRBE-UHFFFAOYSA-N 1 0 387.474 4.292 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)NCc2ccc([C@H](C)[NH3+])cc2)c(C(F)(F)F)c1 ZINC000414767268 824034501 /nfs/dbraw/zinc/03/45/01/824034501.db2.gz JMQNEJAVPIOBIT-NSHDSACASA-N 1 0 394.397 4.005 20 0 GIADRO [NH3+]C[C@@H](NC(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1)C1CCCCC1 ZINC000414768352 824034574 /nfs/dbraw/zinc/03/45/74/824034574.db2.gz HWBPXIAEUBTAKR-HXUWFJFHSA-N 1 0 395.507 4.360 20 0 GIADRO COc1ccccc1Oc1ccc(NC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000414773431 824035081 /nfs/dbraw/zinc/03/50/81/824035081.db2.gz AGIKYZVXTBLQIL-ZYSHUDEJSA-N 1 0 381.476 4.079 20 0 GIADRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)Nc2cc3c(cc2Cl)OCO3)cc1 ZINC000414777639 824035380 /nfs/dbraw/zinc/03/53/80/824035380.db2.gz DOFIMZIAPAERGG-HNNXBMFYSA-N 1 0 375.856 4.014 20 0 GIADRO CCCc1ccc([C@H](NC(=O)C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)C(C)C)cc1 ZINC000414784046 824035892 /nfs/dbraw/zinc/03/58/92/824035892.db2.gz RISRBHBMOHZSHP-IIBYNOLFSA-N 1 0 381.520 4.111 20 0 GIADRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)Nc2cc3c(cc2Cl)OCCO3)cc1 ZINC000414785816 824036048 /nfs/dbraw/zinc/03/60/48/824036048.db2.gz LVYRNHSKEFLEAW-INIZCTEOSA-N 1 0 389.883 4.056 20 0 GIADRO CCCCOc1ccc(OC)cc1NC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000414812425 824038388 /nfs/dbraw/zinc/03/83/88/824038388.db2.gz RFVQNOVHXQJMJA-FQEVSTJZSA-N 1 0 389.540 4.116 20 0 GIADRO C[C@@H]([NH3+])c1ccc(NC(=O)Nc2ccccc2C(=O)N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000414813969 824038567 /nfs/dbraw/zinc/03/85/67/824038567.db2.gz NCPHYJFQURIFBX-IXDOHACOSA-N 1 0 394.519 4.468 20 0 GIADRO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)C2CCCC2)cc1 ZINC000414814160 824038673 /nfs/dbraw/zinc/03/86/73/824038673.db2.gz NINJBWGNHFUQST-XOBRGWDASA-N 1 0 399.922 4.346 20 0 GIADRO C[NH2+]Cc1ccc(NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)C2CCCC2)cc1 ZINC000414816998 824038980 /nfs/dbraw/zinc/03/89/80/824038980.db2.gz RIIDKSNISBMMAO-FQEVSTJZSA-N 1 0 399.922 4.046 20 0 GIADRO CCOc1c(Br)cc(CNc2ccc([C@H](C)[NH3+])cc2)cc1OC ZINC000414815792 824039030 /nfs/dbraw/zinc/03/90/30/824039030.db2.gz VESMIJSQYFKGJL-LBPRGKRZSA-N 1 0 379.298 4.488 20 0 GIADRO C[NH2+]Cc1ccc(NC(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)C2CCCC2)cc1 ZINC000414816999 824039130 /nfs/dbraw/zinc/03/91/30/824039130.db2.gz RIIDKSNISBMMAO-HXUWFJFHSA-N 1 0 399.922 4.046 20 0 GIADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1CNC[C@H]([NH3+])c1ccccc1 ZINC000414839863 824040891 /nfs/dbraw/zinc/04/08/91/824040891.db2.gz WRFOBQJLPZOFMQ-FQEVSTJZSA-N 1 0 399.336 4.041 20 0 GIADRO Cc1ccc(Sc2ccc(NC(=O)N3CCCO[C@H](C[NH3+])C3)cc2)cc1C ZINC000414853559 824042217 /nfs/dbraw/zinc/04/22/17/824042217.db2.gz LALDHTHRWHNCGU-GOSISDBHSA-N 1 0 385.533 4.036 20 0 GIADRO CC[NH2+]Cc1ccccc1NCc1ncc(Br)cc1Br ZINC000414860091 824043054 /nfs/dbraw/zinc/04/30/54/824043054.db2.gz CHYYDAATDSODHL-UHFFFAOYSA-N 1 0 399.130 4.328 20 0 GIADRO Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000414866300 824043472 /nfs/dbraw/zinc/04/34/72/824043472.db2.gz AJYYQDIPQAMNHQ-FQEVSTJZSA-N 1 0 394.519 4.147 20 0 GIADRO CC(C)(C)OC(=O)N1CCC(C[NH2+][C@H](c2nccs2)c2ccccc2)CC1 ZINC000171036375 824043631 /nfs/dbraw/zinc/04/36/31/824043631.db2.gz BBYGOTUZSPDIPY-SFHVURJKSA-N 1 0 387.549 4.469 20 0 GIADRO Cc1nc2ccnn2cc1C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000575984338 824044294 /nfs/dbraw/zinc/04/42/94/824044294.db2.gz URSXIWPTWIVMHM-UHFFFAOYSA-N 1 0 377.492 4.055 20 0 GIADRO Cc1cc(Br)cc(C)c1NC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000414882914 824044986 /nfs/dbraw/zinc/04/49/86/824044986.db2.gz MKSBLLHDVXLPFE-UHFFFAOYSA-N 1 0 382.346 4.439 20 0 GIADRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)NC(C)(C)CCC[NH3+] ZINC000414886755 824045380 /nfs/dbraw/zinc/04/53/80/824045380.db2.gz HWUZUPKZNVHJRK-UHFFFAOYSA-N 1 0 383.496 4.278 20 0 GIADRO Cc1ncc2n1C[C@H](C(=O)N1CCC[C@H]1c1nc3ccccc3n1C(C)C)CC2 ZINC000575993494 824045604 /nfs/dbraw/zinc/04/56/04/824045604.db2.gz CQMHECYGDMDBFU-UTKZUKDTSA-N 1 0 391.519 4.048 20 0 GIADRO O=c1nc(CN2CCCC[C@H]2[C@H]2CC[NH2+]C2)[nH]c2sc(-c3ccccc3)cc21 ZINC000575996836 824046600 /nfs/dbraw/zinc/04/66/00/824046600.db2.gz APKUTJYPIRMJQH-WMZOPIPTSA-N 1 0 394.544 4.028 20 0 GIADRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000414894671 824046640 /nfs/dbraw/zinc/04/66/40/824046640.db2.gz UHWQLEYREQBJGL-DOTOQJQBSA-N 1 0 381.480 4.030 20 0 GIADRO c1ccc(COc2ccc(C[N@@H+]3CCC[C@@H](c4nnc5n4CCC5)C3)cc2)cc1 ZINC000171053116 824048605 /nfs/dbraw/zinc/04/86/05/824048605.db2.gz ZAPDPLQDRGXYNA-OAQYLSRUSA-N 1 0 388.515 4.183 20 0 GIADRO CC(C)c1nccn1Cc1cccc(NC(=O)NCc2ccc([C@H](C)[NH3+])cc2)c1 ZINC000414915226 824049491 /nfs/dbraw/zinc/04/94/91/824049491.db2.gz ZFAYWTICHZHLGG-KRWDZBQOSA-N 1 0 391.519 4.396 20 0 GIADRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)cc1 ZINC000414919182 824050149 /nfs/dbraw/zinc/05/01/49/824050149.db2.gz WJQKMNWXSMKUCS-FGZHOGPDSA-N 1 0 397.519 4.189 20 0 GIADRO CC(C)Sc1cccc(Cl)c1CNC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000192629972 824050253 /nfs/dbraw/zinc/05/02/53/824050253.db2.gz ZFIXAAGHYPEGDG-INIZCTEOSA-N 1 0 383.001 4.431 20 0 GIADRO CC[C@@H](C)[NH2+][C@H](CNC(=O)Cc1csc(-c2cccc(C)c2)n1)c1ccco1 ZINC000576018112 824050340 /nfs/dbraw/zinc/05/03/40/824050340.db2.gz NGGVFQKBWRBEMM-VQIMIIECSA-N 1 0 397.544 4.500 20 0 GIADRO CC(C)Oc1ccc([C@@H](C[NH2+]Cc2cnc(-c3ccccn3)s2)N(C)C)cc1 ZINC000576019380 824050985 /nfs/dbraw/zinc/05/09/85/824050985.db2.gz BXSFVMLBTQXVQU-OAQYLSRUSA-N 1 0 396.560 4.385 20 0 GIADRO CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@H](C)c1cccc(NC(C)=O)c1)CCC2 ZINC000192631858 824051208 /nfs/dbraw/zinc/05/12/08/824051208.db2.gz NRBIHHUVXPERDB-RDTXWAMCSA-N 1 0 384.476 4.451 20 0 GIADRO O=C(C1CCC1)N(CCC[NH2+][C@@H](c1ccc(F)cc1)c1cccnc1)C1CC1 ZINC000576026143 824052431 /nfs/dbraw/zinc/05/24/31/824052431.db2.gz GBIVFWWSXWFOPD-QFIPXVFZSA-N 1 0 381.495 4.081 20 0 GIADRO Cn1cccc1[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(Br)cc1F ZINC000192636742 824052754 /nfs/dbraw/zinc/05/27/54/824052754.db2.gz YLSJIILDEYURMS-KRWDZBQOSA-N 1 0 394.288 4.092 20 0 GIADRO C[C@H]([NH3+])c1ccc(NC(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)cc1 ZINC000414946117 824052730 /nfs/dbraw/zinc/05/27/30/824052730.db2.gz SPXSPSAPWYKOHR-HOTGVXAUSA-N 1 0 380.492 4.365 20 0 GIADRO C[C@H]1C[C@@H](NCc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)CC[NH2+]1 ZINC000414942421 824052753 /nfs/dbraw/zinc/05/27/53/824052753.db2.gz DKBZPDKBMUCDPX-BBRMVZONSA-N 1 0 392.330 4.476 20 0 GIADRO Fc1cc(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)ccc1OC(F)F ZINC000576028828 824053397 /nfs/dbraw/zinc/05/33/97/824053397.db2.gz XHGDVGMGBGMAHV-ZHALLVOQSA-N 1 0 377.406 4.432 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)CC1 ZINC000171066386 824054319 /nfs/dbraw/zinc/05/43/19/824054319.db2.gz YLXDQKRJPNCYLN-HOTGVXAUSA-N 1 0 378.472 4.062 20 0 GIADRO CC1(C)C[NH2+]CC[C@@H]1NCc1csc(-c2cccc(Br)c2)n1 ZINC000414963855 824054871 /nfs/dbraw/zinc/05/48/71/824054871.db2.gz DEWCXIUVHJHAKY-HNNXBMFYSA-N 1 0 380.355 4.050 20 0 GIADRO C[C@@H](c1ccncc1)[NH+]1CCC(NCc2c(F)cccc2Br)CC1 ZINC000192645937 824055258 /nfs/dbraw/zinc/05/52/58/824055258.db2.gz ROLUDLITLWMDPF-AWEZNQCLSA-N 1 0 392.316 4.298 20 0 GIADRO CC[N@H+](Cc1cc(Br)c2c(c1)OCCCO2)[C@H]1CCOC(C)(C)C1 ZINC000576037671 824055361 /nfs/dbraw/zinc/05/53/61/824055361.db2.gz QVVPZAVGEJIUNZ-HNNXBMFYSA-N 1 0 398.341 4.390 20 0 GIADRO CCCC[C@@H](C[NH3+])NC(=O)Nc1ccc(Br)cc1C(F)(F)F ZINC000414971226 824055975 /nfs/dbraw/zinc/05/59/75/824055975.db2.gz IIXMDOCKMWETLY-JTQLQIEISA-N 1 0 382.224 4.107 20 0 GIADRO CCOc1c(Br)cc(CNc2ccc(C[NH2+]C)cc2)cc1OC ZINC000414970519 824055979 /nfs/dbraw/zinc/05/59/79/824055979.db2.gz GUMHZUDWHJGNKI-UHFFFAOYSA-N 1 0 379.298 4.188 20 0 GIADRO CO[C@H]1CCN(C(=O)Nc2ccc(Oc3cc(C)cc(C)c3)cc2)[C@@H](C[NH3+])C1 ZINC000414971904 824056012 /nfs/dbraw/zinc/05/60/12/824056012.db2.gz IZARSQRLZGQMGF-QUCCMNQESA-N 1 0 383.492 4.066 20 0 GIADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]Cc1cc(C)cc(N)c1 ZINC000414970614 824056027 /nfs/dbraw/zinc/05/60/27/824056027.db2.gz VLTPCLZOEUNHKB-UHFFFAOYSA-N 1 0 399.336 4.432 20 0 GIADRO CC[NH+]1CCC(N(C(=O)c2cc(-c3ccc(Cl)s3)on2)C2CC2)CC1 ZINC000359928561 212124434 /nfs/dbraw/zinc/12/44/34/212124434.db2.gz VBWNIYVKAHULBS-UHFFFAOYSA-N 1 0 379.913 4.145 20 0 GIADRO O=C(Cc1ccc(C(F)(F)F)cc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000012606781 221214382 /nfs/dbraw/zinc/21/43/82/221214382.db2.gz WUOJAMVLWIWYTN-UHFFFAOYSA-N 1 0 376.422 4.029 20 0 GIADRO C[NH+]1CCC(CNC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)CC1 ZINC000058209381 222045356 /nfs/dbraw/zinc/04/53/56/222045356.db2.gz MNRNXDYRLVBXME-UHFFFAOYSA-N 1 0 375.472 4.080 20 0 GIADRO Cc1nc(-c2cccc(NC(=O)NCc3ccccc3C[N@@H+](C)C(C)C)c2)no1 ZINC000064544821 222072451 /nfs/dbraw/zinc/07/24/51/222072451.db2.gz GEYZJNCEFDAFNL-UHFFFAOYSA-N 1 0 393.491 4.207 20 0 GIADRO CCN(CC)C(=O)C[C@H]1CC2(CC[NH+](CC3CCOCC3)CC2)c2ccccc21 ZINC000096053070 222374758 /nfs/dbraw/zinc/37/47/58/222374758.db2.gz ROVCYOUWRIJAFY-NRFANRHFSA-N 1 0 398.591 4.193 20 0 GIADRO [NH3+]C1CC2(C1)CCN(C(F)(F)c1ccc3nc(Cl)nc(Cl)c3c1)CC2 ZINC001164387703 718801800 /nfs/dbraw/zinc/80/18/00/718801800.db2.gz MQYXRJBGDXHDOP-UHFFFAOYSA-N 1 0 387.261 4.189 20 0 GIADRO [NH3+]C1CC2(C1)CCN(C(F)(F)c1cc(-c3ccccc3)nnc1Cl)CC2 ZINC001164388533 718802209 /nfs/dbraw/zinc/80/22/09/718802209.db2.gz WJJIEMITXPNPMO-UHFFFAOYSA-N 1 0 378.854 4.050 20 0 GIADRO FC(F)(F)c1nc(Cl)ccc1C(F)(F)N1CCC2(CCCC[NH2+]2)CC1 ZINC001164388566 718803644 /nfs/dbraw/zinc/80/36/44/718803644.db2.gz WTGPRSXSFFLCFD-UHFFFAOYSA-N 1 0 383.792 4.411 20 0 GIADRO FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1CCCCC12CC[NH2+]CC2 ZINC001164420755 718912051 /nfs/dbraw/zinc/91/20/51/718912051.db2.gz MSGNLVVFAFLFGO-UHFFFAOYSA-N 1 0 392.881 4.454 20 0 GIADRO FC(F)(c1cnc(Cl)c(C2CC2)c1)N1C[C@@H]2[NH2+]Cc3ccccc3[C@@H]2C1 ZINC001164431011 718948381 /nfs/dbraw/zinc/94/83/81/718948381.db2.gz YVDZKWKKMGDKAJ-ROUUACIJSA-N 1 0 375.850 4.233 20 0 GIADRO Fc1c(Cl)nccc1C(F)(F)N1CC[C@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164626943 719044060 /nfs/dbraw/zinc/04/40/60/719044060.db2.gz SIMJIXQMBCJHAC-YJBOKZPZSA-N 1 0 381.829 4.003 20 0 GIADRO Cc1cc(Cl)ncc1C(F)(F)N1CC[C@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164620719 719045737 /nfs/dbraw/zinc/04/57/37/719045737.db2.gz GUCCFJZGBINVDI-HKUYNNGSSA-N 1 0 377.866 4.172 20 0 GIADRO Fc1ccc(Cl)nc1C(F)(F)N1CC[C@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164628719 719045763 /nfs/dbraw/zinc/04/57/63/719045763.db2.gz ZKKKSUIDQMFGTB-KSSFIOAISA-N 1 0 381.829 4.003 20 0 GIADRO FC(F)(c1ccnc(Cl)c1)N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164621308 719053887 /nfs/dbraw/zinc/05/38/87/719053887.db2.gz INZXGUUSESEJFD-SJLPKXTDSA-N 1 0 377.866 4.381 20 0 GIADRO Clc1ccnc2nc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)ccc12 ZINC001164628880 719083531 /nfs/dbraw/zinc/08/35/31/719083531.db2.gz UEWIOCFUQMYGCR-YLJYHZDGSA-N 1 0 378.907 4.384 20 0 GIADRO Cc1nc(-c2ccccn2)nc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1C ZINC001164623526 719105145 /nfs/dbraw/zinc/10/51/45/719105145.db2.gz DLBDXODRUKZDQD-FYYLOGMGSA-N 1 0 399.542 4.256 20 0 GIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(C)ccc2Cl)CC3)cs1 ZINC001164691467 719805775 /nfs/dbraw/zinc/80/57/75/719805775.db2.gz HOZSPALTKOAYGQ-UHFFFAOYSA-N 1 0 376.957 4.443 20 0 GIADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ccc4cccnc4n2)CC3)cs1 ZINC001164694053 719807953 /nfs/dbraw/zinc/80/79/53/719807953.db2.gz UIWILLBVEKENFG-UHFFFAOYSA-N 1 0 379.533 4.030 20 0 GIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(Cl)nc3ccccc31)C2 ZINC001164809348 720065778 /nfs/dbraw/zinc/06/57/78/720065778.db2.gz JPHVMXLQUAAGPF-VGSWGCGISA-N 1 0 385.939 4.073 20 0 GIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc3ccccc3cc1Cl)C2 ZINC001164814306 720099405 /nfs/dbraw/zinc/09/94/05/720099405.db2.gz WMGPJXUIAZOIII-GCJKJVERSA-N 1 0 385.939 4.073 20 0 GIADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nccc3c(Cl)cccc31)C2 ZINC001164812493 720110451 /nfs/dbraw/zinc/11/04/51/720110451.db2.gz OTKBGQJMTQXJKZ-HTAPYJJXSA-N 1 0 385.939 4.073 20 0 GIADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc3c(C)ccc(F)c3cc1C)C2 ZINC001164813245 720136875 /nfs/dbraw/zinc/13/68/75/720136875.db2.gz PXJXVXBTMHIUGA-DVECYGJZSA-N 1 0 397.538 4.175 20 0 GIADRO CC(C)(C)c1cc2ncnc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c2s1 ZINC001164726589 720358109 /nfs/dbraw/zinc/35/81/09/720358109.db2.gz PWQHANPNNKZKJV-QZTJIDSGSA-N 1 0 393.560 4.237 20 0 GIADRO Fc1cc2ccnc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c2cc1Cl ZINC001164727488 720469535 /nfs/dbraw/zinc/46/95/35/720469535.db2.gz NCNVLIYHFDRPBN-WOJBJXKFSA-N 1 0 382.870 4.276 20 0 GIADRO CC[C@H](C)c1nc(Cl)c(C)c(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164729054 720472122 /nfs/dbraw/zinc/47/21/22/720472122.db2.gz QXCWLACJXVEWAE-WBAXXEDZSA-N 1 0 385.943 4.200 20 0 GIADRO CC[C@H](C)c1nc(Cl)c(C)c(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164729052 720472856 /nfs/dbraw/zinc/47/28/56/720472856.db2.gz QXCWLACJXVEWAE-QGTPRVQTSA-N 1 0 385.943 4.200 20 0 GIADRO Cc1cccc2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)nc12 ZINC001164833260 720506993 /nfs/dbraw/zinc/50/69/93/720506993.db2.gz CKJPKRAWFGARDL-BHIFYINESA-N 1 0 389.547 4.118 20 0 GIADRO Cc1cc2ccccc2nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164834432 720522896 /nfs/dbraw/zinc/52/28/96/720522896.db2.gz GJHNABNELMSXGN-MQSCRBSSSA-N 1 0 389.547 4.118 20 0 GIADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nccc3occc31)CC2 ZINC001164839893 720658024 /nfs/dbraw/zinc/65/80/24/720658024.db2.gz KQBNJLHFWNWRGY-LJQANCHMSA-N 1 0 377.488 4.088 20 0 GIADRO Cc1nc(C(C)C)cc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164840487 720663697 /nfs/dbraw/zinc/66/36/97/720663697.db2.gz MUIKRFARLZWNEQ-NRFANRHFSA-N 1 0 394.563 4.168 20 0 GIADRO Cc1c[nH]c2nc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)ccc12 ZINC001164842739 720679810 /nfs/dbraw/zinc/67/98/10/720679810.db2.gz NAERKDXNTDWDRG-HXUWFJFHSA-N 1 0 390.531 4.131 20 0 GIADRO Cc1cc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc(C(C)C)n1 ZINC001164837648 720711179 /nfs/dbraw/zinc/71/11/79/720711179.db2.gz FNWFDQIJLVGZCN-OAQYLSRUSA-N 1 0 394.563 4.168 20 0 GIADRO CSc1cc(Cl)cnc1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164864176 720993301 /nfs/dbraw/zinc/99/33/01/720993301.db2.gz YRYMIKOREMVRIB-ZDUSSCGKSA-N 1 0 379.961 4.075 20 0 GIADRO c1sc2ncnc(N3CC4(C3)CC[N@@H+](CC3CC3)C4)c2c1-c1ccccc1 ZINC001164769988 721283328 /nfs/dbraw/zinc/28/33/28/721283328.db2.gz QWQWDJCSNDYXQT-UHFFFAOYSA-N 1 0 376.529 4.280 20 0 GIADRO COc1ccc2c(Cl)cc(Cl)nc2c1N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001164771305 721292463 /nfs/dbraw/zinc/29/24/63/721292463.db2.gz ZOKXITYYQNSXRL-UHFFFAOYSA-N 1 0 392.330 4.472 20 0 GIADRO COc1cnc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c(Cl)c1 ZINC001164795497 721498101 /nfs/dbraw/zinc/49/81/01/721498101.db2.gz JGAKERYGNLSKHS-UHFFFAOYSA-N 1 0 386.927 4.020 20 0 GIADRO Cc1csc2cnc(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)nc12 ZINC001164796786 721499177 /nfs/dbraw/zinc/49/91/77/721499177.db2.gz XQLGYCIVKKYURZ-UHFFFAOYSA-N 1 0 393.560 4.276 20 0 GIADRO Cc1c[nH]c2nc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)ccc12 ZINC001165027198 721807360 /nfs/dbraw/zinc/80/73/60/721807360.db2.gz UFPZHCVXPRSQMV-IOMROCGXSA-N 1 0 375.520 4.003 20 0 GIADRO Cc1cccc2ncnc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c12 ZINC001165027659 721814143 /nfs/dbraw/zinc/81/41/43/721814143.db2.gz VKWKYRLWMQPCGY-VCOUNFBDSA-N 1 0 387.531 4.070 20 0 GIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc4[nH]ccc4cc3Cl)C[C@H]21 ZINC001165028181 721816770 /nfs/dbraw/zinc/81/67/70/721816770.db2.gz WMGILWNXFZUBKS-YVWKXTFCSA-N 1 0 395.938 4.300 20 0 GIADRO CC(C)Sc1ccc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nn1 ZINC001165026215 721827237 /nfs/dbraw/zinc/82/72/37/721827237.db2.gz OHLIEEBYVZPPBD-YSIASYRMSA-N 1 0 397.592 4.109 20 0 GIADRO CC(C)c1c(Cl)ncnc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165020644 721829676 /nfs/dbraw/zinc/82/96/76/721829676.db2.gz DAPVTNAJZUSJJT-UHOSZYNNSA-N 1 0 399.970 4.385 20 0 GIADRO CCc1nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c(Cl)nc1C ZINC001165029619 721831420 /nfs/dbraw/zinc/83/14/20/721831420.db2.gz XGZXAKDXBHYJEQ-XKGZKEIXSA-N 1 0 399.970 4.133 20 0 GIADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cccc(C3CC3)n2)CC1 ZINC001165031146 721845087 /nfs/dbraw/zinc/84/50/87/721845087.db2.gz VEICVFPSMULJDJ-UHFFFAOYSA-N 1 0 381.520 4.077 20 0 GIADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccc(C(C)C)cn4)CC3)C2)cc1 ZINC001164940488 721927418 /nfs/dbraw/zinc/92/74/18/721927418.db2.gz RQGHIVIJLIIKTB-UHFFFAOYSA-N 1 0 379.548 4.385 20 0 GIADRO C[NH+](C)CC1CCN(c2nc(-c3cccnc3)nc3sc4c(c32)CCC4)CC1 ZINC000052404231 721949011 /nfs/dbraw/zinc/94/90/11/721949011.db2.gz XUDVBDYBXLXDBC-UHFFFAOYSA-N 1 0 393.560 4.020 20 0 GIADRO Clc1ccc(CN2CCCC2)c(N2CCCC[C@@H]2CC[NH+]2CCCC2)n1 ZINC001165047085 721971913 /nfs/dbraw/zinc/97/19/13/721971913.db2.gz IKFVNWLLVJAWMD-LJQANCHMSA-N 1 0 376.976 4.176 20 0 GIADRO FC(F)(c1nc2ccc(Cl)nc2[nH]1)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001165049553 721976473 /nfs/dbraw/zinc/97/64/73/721976473.db2.gz QDIXFEVYNSWJFK-ZDUSSCGKSA-N 1 0 383.874 4.001 20 0 GIADRO CC[NH+](CC)C1CCN(c2ccc(C(=O)Nc3cccc(Cl)c3)cn2)CC1 ZINC001165054125 722005605 /nfs/dbraw/zinc/00/56/05/722005605.db2.gz ZWYXGAWAWTWRQR-UHFFFAOYSA-N 1 0 386.927 4.298 20 0 GIADRO CC[NH+](CC)C1CCN(c2nc3ccccc3nc2N2CCCC[C@@H]2C)CC1 ZINC001165053037 722005805 /nfs/dbraw/zinc/00/58/05/722005805.db2.gz HGYOEQVRFNVWTK-SFHVURJKSA-N 1 0 381.568 4.319 20 0 GIADRO Clc1cc2[nH]ccc2c(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164953848 722014322 /nfs/dbraw/zinc/01/43/22/722014322.db2.gz ZLBLSYMODMTDMM-UHFFFAOYSA-N 1 0 381.911 4.104 20 0 GIADRO Fc1cccc2ccc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)nc12 ZINC001164955430 722020453 /nfs/dbraw/zinc/02/04/53/722020453.db2.gz GKRHKZVFRVYHPI-UHFFFAOYSA-N 1 0 376.479 4.261 20 0 GIADRO c1ccc(-c2cc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)ncn2)cc1 ZINC001164955685 722021145 /nfs/dbraw/zinc/02/11/45/722021145.db2.gz NDWRRQBLEARUDM-UHFFFAOYSA-N 1 0 385.515 4.031 20 0 GIADRO c1ccc2c(c1)[C@@H]1CN(c3ccc(C[NH+]4CCCC4)cn3)C[C@H]1[C@@H]2OCC1CC1 ZINC001164978785 722171424 /nfs/dbraw/zinc/17/14/24/722171424.db2.gz SHEXWJYTGGQBQG-JBRSBNLGSA-N 1 0 389.543 4.379 20 0 GIADRO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2ncnc4ccc(F)cc42)C3)c1 ZINC001164994723 722193480 /nfs/dbraw/zinc/19/34/80/722193480.db2.gz PLCAQUFGLAQSIL-JOCHJYFZSA-N 1 0 380.442 4.153 20 0 GIADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2nc(Cl)nc4c2CCC4)C3)c1 ZINC001164993278 722193865 /nfs/dbraw/zinc/19/38/65/722193865.db2.gz DZWWZWBSCAETIV-OAQYLSRUSA-N 1 0 386.902 4.003 20 0 GIADRO Cc1nc2ccc(F)cc2c(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164995464 722196368 /nfs/dbraw/zinc/19/63/68/722196368.db2.gz VAIHRVJESFYVEV-HSZRJFAPSA-N 1 0 394.469 4.461 20 0 GIADRO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2nncc4ccc(F)cc42)C3)c1 ZINC001164994460 722202241 /nfs/dbraw/zinc/20/22/41/722202241.db2.gz HHTNGABELHGKKW-QFIPXVFZSA-N 1 0 380.442 4.153 20 0 GIADRO Cc1cc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc(-c2ccco2)n1 ZINC001164994049 722209961 /nfs/dbraw/zinc/20/99/61/722209961.db2.gz DXQOFTUIYLZQFD-HSZRJFAPSA-N 1 0 392.478 4.429 20 0 GIADRO CN(CC1(c2ccccc2)CC1)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000187333826 823045048 /nfs/dbraw/zinc/04/50/48/823045048.db2.gz UYCQDSAWQRZQIN-UHFFFAOYSA-N 1 0 391.559 4.067 20 0 GIADRO C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000458481997 823045961 /nfs/dbraw/zinc/04/59/61/823045961.db2.gz GSOZMAWVCHSNPL-CABCVRRESA-N 1 0 375.479 4.156 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)Nc2ccc3oc(C(F)(F)F)nc3c2)CC1 ZINC000175817531 823047199 /nfs/dbraw/zinc/04/71/99/823047199.db2.gz LLOPQXXEDJTFAD-UHFFFAOYSA-N 1 0 384.402 4.090 20 0 GIADRO C[C@H](Oc1cccc2ccccc21)C(=O)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000570507484 823047995 /nfs/dbraw/zinc/04/79/95/823047995.db2.gz IEYKSEXLHYKXQT-AWEZNQCLSA-N 1 0 381.501 4.169 20 0 GIADRO CC(C)CNC(=O)c1cccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cccs2)c1 ZINC000175821632 823048161 /nfs/dbraw/zinc/04/81/61/823048161.db2.gz GQACCTYXXJFVJC-PMACEKPBSA-N 1 0 386.561 4.222 20 0 GIADRO C[C@H](NC(=O)C[N@@H+]1CCC[C@@H]1C[C@H](O)c1cccs1)c1ccccc1Cl ZINC000175823987 823048620 /nfs/dbraw/zinc/04/86/20/823048620.db2.gz ASTZGOKNPYVBNS-DAYGRLMNSA-N 1 0 392.952 4.167 20 0 GIADRO C[C@H]1CCN(C(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)C[C@H]1C[NH3+] ZINC000570519550 823049111 /nfs/dbraw/zinc/04/91/11/823049111.db2.gz HRVZILJBISXDRW-NWDGAFQWSA-N 1 0 398.359 4.103 20 0 GIADRO C[C@@H]1CCN(C(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)C[C@@H]1C[NH3+] ZINC000570519549 823049188 /nfs/dbraw/zinc/04/91/88/823049188.db2.gz HRVZILJBISXDRW-NEPJUHHUSA-N 1 0 398.359 4.103 20 0 GIADRO CC(C)CC[NH+]1CCC(CNC(=O)N2CC[C@@H](C(F)(F)F)C[C@H]2C)CC1 ZINC000458510414 823049163 /nfs/dbraw/zinc/04/91/63/823049163.db2.gz LOEOEWZQZURBPA-NVXWUHKLSA-N 1 0 377.495 4.117 20 0 GIADRO CCOC(=O)c1cnn(C2CC[NH+]([C@H](C)c3ccc(OC)c(Cl)c3)CC2)c1 ZINC000570522337 823049341 /nfs/dbraw/zinc/04/93/41/823049341.db2.gz AHQKIAJBFJJQGT-CQSZACIVSA-N 1 0 391.899 4.120 20 0 GIADRO CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@H](C)C2CCSCC2)cc1 ZINC000187366554 823050506 /nfs/dbraw/zinc/05/05/06/823050506.db2.gz AVWBMAASPPIWBW-SJORKVTESA-N 1 0 378.582 4.164 20 0 GIADRO COc1cc([C@H](C)[NH2+]C[C@@H]2CCN(c3ccc(Br)cc3)C2)ccn1 ZINC000570534263 823050862 /nfs/dbraw/zinc/05/08/62/823050862.db2.gz NJPZOWOXLMLZOZ-GJZGRUSLSA-N 1 0 390.325 4.030 20 0 GIADRO CC1(C)OCc2cc(C[NH2+]C[C@@H](O)c3cc(Cl)cc(Cl)c3)ccc2O1 ZINC000187368161 823050969 /nfs/dbraw/zinc/05/09/69/823050969.db2.gz JLTNUGLJWCMXQQ-QGZVFWFLSA-N 1 0 382.287 4.462 20 0 GIADRO COc1cccc([C@@H]2[C@H](NC(=O)[C@@H]3CC[C@H](C(F)(F)F)C3)CC[N@@H+]2C2CC2)c1 ZINC000570535893 823051068 /nfs/dbraw/zinc/05/10/68/823051068.db2.gz BXYGNDVUMUJJIS-WTLGNFPFSA-N 1 0 396.453 4.068 20 0 GIADRO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1ccc(OCc2ccccc2F)nc1 ZINC000187369220 823051252 /nfs/dbraw/zinc/05/12/52/823051252.db2.gz QYIBAMFIMNVKDB-HXUWFJFHSA-N 1 0 380.467 4.477 20 0 GIADRO C[C@H]1C[N@H+](CC2CCN(C(=O)OC(C)(C)C)CC2)C[C@H](c2ccsc2)O1 ZINC000120719974 823052062 /nfs/dbraw/zinc/05/20/62/823052062.db2.gz ULTPFYVZUDNTPL-MAUKXSAKSA-N 1 0 380.554 4.157 20 0 GIADRO C[N@H+](CCC1CCOCC1)Cc1ncc(-c2cccc(Br)c2)o1 ZINC000120727290 823053286 /nfs/dbraw/zinc/05/32/86/823053286.db2.gz DKGUGSNHDRTQOE-UHFFFAOYSA-N 1 0 379.298 4.353 20 0 GIADRO C[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccc(Br)cc1 ZINC000120728370 823053494 /nfs/dbraw/zinc/05/34/94/823053494.db2.gz RKMCIMDYJXIPIY-ZSZQSSIHSA-N 1 0 391.353 4.028 20 0 GIADRO CN1CC[C@H]([NH2+]C[C@@H](O)Cc2ccc3ccccc3c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000570554733 823053527 /nfs/dbraw/zinc/05/35/27/823053527.db2.gz HEMYXRLHMVEQSF-OYDLWJJNSA-N 1 0 396.481 4.056 20 0 GIADRO C[C@H]([NH2+]CCc1cc(F)cc2c1OCOC2)c1ccc(F)cc1OC(F)F ZINC000120759097 823058381 /nfs/dbraw/zinc/05/83/81/823058381.db2.gz HNIMEBPCRKFALT-NSHDSACASA-N 1 0 385.357 4.326 20 0 GIADRO C[C@@H](C[NH2+]Cc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1)Cc1ccccc1 ZINC000570559246 823054580 /nfs/dbraw/zinc/05/45/80/823054580.db2.gz CXCPPCUDFQNVDN-GOSISDBHSA-N 1 0 391.515 4.024 20 0 GIADRO O=C(N[C@@H]1CCCC(F)(F)C1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000458550192 823054663 /nfs/dbraw/zinc/05/46/63/823054663.db2.gz DFXHUCILIPNLKO-LJQANCHMSA-N 1 0 391.506 4.262 20 0 GIADRO C[C@H]([NH2+]CC1([C@H](O)c2ccccc2)CC1)c1ncc(Br)cc1F ZINC000187393360 823055097 /nfs/dbraw/zinc/05/50/97/823055097.db2.gz HHNPUJFMFKAYBF-YVEFUNNKSA-N 1 0 379.273 4.148 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)c2cc(Cl)cc3c2OCC3)[C@H]1c1ccccc1 ZINC000570590280 823058433 /nfs/dbraw/zinc/05/84/33/823058433.db2.gz JYVFZGLRCZPPGM-YLJYHZDGSA-N 1 0 384.907 4.088 20 0 GIADRO COc1ccccc1COC1CC[NH+](C[C@@H](O)c2ccc(F)cc2Cl)CC1 ZINC000187394888 823055302 /nfs/dbraw/zinc/05/53/02/823055302.db2.gz SXOUBVLWRBKTHF-HXUWFJFHSA-N 1 0 393.886 4.202 20 0 GIADRO CC(C)C1CCC(NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)CC1 ZINC000458555659 823055294 /nfs/dbraw/zinc/05/52/94/823055294.db2.gz JAKMGWGANNILMD-UHFFFAOYSA-N 1 0 377.495 4.259 20 0 GIADRO Cn1ncc2ccc(C[NH2+]Cc3ccc(OC(F)F)c(Br)c3)cc21 ZINC000570562847 823055345 /nfs/dbraw/zinc/05/53/45/823055345.db2.gz XXMSWUAAQZOILB-UHFFFAOYSA-N 1 0 396.235 4.227 20 0 GIADRO C[C@@H](CCCc1cccnc1)NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000458578113 823058896 /nfs/dbraw/zinc/05/88/96/823058896.db2.gz QJCXJXYYDGXOHW-KPQWGBOZSA-N 1 0 386.584 4.135 20 0 GIADRO CC(C)(C)OC(=O)NC1CCC([NH2+]Cc2ccc3c(c2)COC(C)(C)O3)CC1 ZINC000187395673 823055623 /nfs/dbraw/zinc/05/56/23/823055623.db2.gz XHHCIGRLFHQYPX-UHFFFAOYSA-N 1 0 390.524 4.257 20 0 GIADRO CCc1nn(C)c(CC)c1C[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000187399410 823055967 /nfs/dbraw/zinc/05/59/67/823055967.db2.gz FZMDSIFGBZJMNB-LBPRGKRZSA-N 1 0 380.330 4.172 20 0 GIADRO CCCC[C@H](C)N(CCCC)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000458564148 823056753 /nfs/dbraw/zinc/05/67/53/823056753.db2.gz ZJWRNTIUMASIFY-JBACZVJFSA-N 1 0 381.605 4.145 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000120751855 823056901 /nfs/dbraw/zinc/05/69/01/823056901.db2.gz OUKROKFPLGYDOZ-YADHBBJMSA-N 1 0 398.934 4.287 20 0 GIADRO C[NH+](C)CCN(Cc1cccs1)C(=O)Nc1ccccc1Br ZINC000175859928 823057284 /nfs/dbraw/zinc/05/72/84/823057284.db2.gz RYEHOFJFPARQKQ-UHFFFAOYSA-N 1 0 382.327 4.106 20 0 GIADRO C[NH+](C)CCN(Cc1cccs1)C(=O)Nc1ccc(Br)cc1 ZINC000175860126 823057340 /nfs/dbraw/zinc/05/73/40/823057340.db2.gz XOQVERKUEQXMJG-UHFFFAOYSA-N 1 0 382.327 4.106 20 0 GIADRO CCc1cccc(C)c1NC(=O)CNc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000055870338 823057537 /nfs/dbraw/zinc/05/75/37/823057537.db2.gz QLWJAUVOTVGPFX-RTBURBONSA-N 1 0 395.547 4.217 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[C@](F)(c3ccccc3)C2)CC1 ZINC000570584610 823057615 /nfs/dbraw/zinc/05/76/15/823057615.db2.gz KDLWIVSUUVKIBZ-NTKDMRAZSA-N 1 0 395.522 4.492 20 0 GIADRO COc1ccccc1OC[C@@H](C)C[NH2+][C@@H](C)c1ncc(Br)cc1F ZINC000187409281 823057699 /nfs/dbraw/zinc/05/76/99/823057699.db2.gz QXSQVMBNGABUHW-STQMWFEESA-N 1 0 397.288 4.358 20 0 GIADRO Cc1cc2c(cc1C)[C@H]([NH2+][C@H](C)Cn1ncc3ccccc3c1=O)CCS2 ZINC000187409706 823057969 /nfs/dbraw/zinc/05/79/69/823057969.db2.gz XPQWPOALIDAUIS-OXQOHEQNSA-N 1 0 379.529 4.229 20 0 GIADRO CC(C)[N@@H+]1CC[C@H](CNCc2csc(-c3cccc(Br)c3)n2)C1 ZINC000570587839 823058129 /nfs/dbraw/zinc/05/81/29/823058129.db2.gz RMYHRUQBQPLRJG-CQSZACIVSA-N 1 0 394.382 4.393 20 0 GIADRO C[C@H](NC(=O)N1CC[C@H](c2c(F)cccc2F)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000187410931 823058370 /nfs/dbraw/zinc/05/83/70/823058370.db2.gz MKYYGGCPIDZFTB-BBWFWOEESA-N 1 0 391.506 4.117 20 0 GIADRO Cc1cccnc1[C@@H]([NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)C(C)C ZINC000120762067 823058990 /nfs/dbraw/zinc/05/89/90/823058990.db2.gz KSQLGDOWMGHPJK-YOEHRIQHSA-N 1 0 383.319 4.423 20 0 GIADRO Cc1cnc([C@@H](NC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)C2CC2)s1 ZINC000175885096 823063484 /nfs/dbraw/zinc/06/34/84/823063484.db2.gz XOAKLLUWRSJKMA-HKUYNNGSSA-N 1 0 390.597 4.056 20 0 GIADRO COc1ccc2c(c1)c(C(=O)N1CC[C@@H](C[NH+](C)C)C1)c(C)n2C1CCCC1 ZINC000120762365 823059246 /nfs/dbraw/zinc/05/92/46/823059246.db2.gz BGJJPVBIVFWMGR-KRWDZBQOSA-N 1 0 383.536 4.097 20 0 GIADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CC(c3ccc(Cl)cc3)C2)CC1 ZINC000458586122 823059781 /nfs/dbraw/zinc/05/97/81/823059781.db2.gz VGCJTMYXZQAJPL-INIZCTEOSA-N 1 0 398.938 4.069 20 0 GIADRO CC(=O)N(Cc1ccc(NC(=O)NCCC[NH+](C(C)C)C(C)C)cc1)C(C)C ZINC000175870394 823060056 /nfs/dbraw/zinc/06/00/56/823060056.db2.gz IJCWUQBBRZZKDV-UHFFFAOYSA-N 1 0 390.572 4.074 20 0 GIADRO COc1cc(NC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(Cl)c(OC)c1 ZINC000570617643 823063188 /nfs/dbraw/zinc/06/31/88/823063188.db2.gz BVTRJZSQGSCLKF-UONOGXRCSA-N 1 0 395.931 4.132 20 0 GIADRO C[C@H]([NH2+]CC1CCN(C(=O)C(C)(C)C)CC1)c1ccc(Br)cc1 ZINC000187421721 823060463 /nfs/dbraw/zinc/06/04/63/823060463.db2.gz DECMMLPARHIXES-AWEZNQCLSA-N 1 0 381.358 4.384 20 0 GIADRO Cc1cc(NC(=O)NCCC[NH+](C(C)C)C(C)C)ccc1OC1CCOCC1 ZINC000175884125 823063296 /nfs/dbraw/zinc/06/32/96/823063296.db2.gz IUETXHVXPIAVSV-UHFFFAOYSA-N 1 0 391.556 4.183 20 0 GIADRO O=C(N1CC[C@H](C[NH+]2CCCCC2)C1)C1(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000187433772 823062539 /nfs/dbraw/zinc/06/25/39/823062539.db2.gz YFNIHGNUAAKQLB-GOSISDBHSA-N 1 0 394.481 4.363 20 0 GIADRO CCCOc1c(Br)cc(C[N@H+](C)CCc2ccccn2)cc1OC ZINC000120804026 823067582 /nfs/dbraw/zinc/06/75/82/823067582.db2.gz MBQQIDSQTUVFRH-UHFFFAOYSA-N 1 0 393.325 4.316 20 0 GIADRO CCO[C@H](C)c1noc(C[NH2+]C(C)(C)Cc2ccc(Br)cc2)n1 ZINC000120785395 823063685 /nfs/dbraw/zinc/06/36/85/823063685.db2.gz NWNOWIHCFRHTNW-GFCCVEGCSA-N 1 0 382.302 4.041 20 0 GIADRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 ZINC000055902116 823063930 /nfs/dbraw/zinc/06/39/30/823063930.db2.gz MPFQTPWCZDMRMX-MRXNPFEDSA-N 1 0 379.460 4.045 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000458620918 823064795 /nfs/dbraw/zinc/06/47/95/823064795.db2.gz UJYSZLJARYZNAI-OAHLLOKOSA-N 1 0 377.426 4.239 20 0 GIADRO CCc1ccc(C(C)(C)C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)cc1 ZINC000175892681 823065207 /nfs/dbraw/zinc/06/52/07/823065207.db2.gz FRSVLRBTRLHDDW-UHFFFAOYSA-N 1 0 381.520 4.056 20 0 GIADRO COc1ccc2nc(C[NH2+][C@H](c3ccc4c(c3)OCCO4)C3CC3)sc2c1 ZINC000187449180 823065594 /nfs/dbraw/zinc/06/55/94/823065594.db2.gz GNSUOULLCNDFIC-NRFANRHFSA-N 1 0 382.485 4.317 20 0 GIADRO C[C@H](NC(=O)N1CC[C@H](C(F)(F)F)C[C@@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000458634409 823067864 /nfs/dbraw/zinc/06/78/64/823067864.db2.gz QAXCERMOFLIBNT-VGWMRTNUSA-N 1 0 375.479 4.012 20 0 GIADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2cc(F)c(Cl)cc2Cl)cc1 ZINC000570646791 823066464 /nfs/dbraw/zinc/06/64/64/823066464.db2.gz GOPZKHMLRPZKEA-KRWDZBQOSA-N 1 0 385.266 4.174 20 0 GIADRO CC(C)N(C)c1cccc(NC(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)c1 ZINC000120799675 823066629 /nfs/dbraw/zinc/06/66/29/823066629.db2.gz JPYCXYYFKYHKRS-SFHVURJKSA-N 1 0 395.551 4.273 20 0 GIADRO COc1ccc([C@H]2CCCN2C(=O)C[N@@H+]2CCC[C@@H]2C2CCCC2)cc1OC ZINC000055927474 823067942 /nfs/dbraw/zinc/06/79/42/823067942.db2.gz QMRYXHLNFRTWHC-WOJBJXKFSA-N 1 0 386.536 4.022 20 0 GIADRO O=C(CC[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1)c1ccc(F)cc1F ZINC000187462570 823068026 /nfs/dbraw/zinc/06/80/26/823068026.db2.gz BSZPTCXPEXDEEB-UHFFFAOYSA-N 1 0 387.352 4.090 20 0 GIADRO Fc1ccc([C@H](C[C@@H]2CCOC2)[NH2+]Cc2ccc(OCC(F)(F)F)nc2)cc1 ZINC000570654292 823067453 /nfs/dbraw/zinc/06/74/53/823067453.db2.gz VIXODPOYLMWKAU-KSSFIOAISA-N 1 0 398.400 4.419 20 0 GIADRO CC(C)[C@@H](CNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)c1cccnc1 ZINC000175900281 823067467 /nfs/dbraw/zinc/06/74/67/823067467.db2.gz NULVDYMDNSVJGP-HSZRJFAPSA-N 1 0 394.563 4.127 20 0 GIADRO Cc1ccc2c(c1)[C@@H](NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)[C@@H](C)C2 ZINC000458644516 823068908 /nfs/dbraw/zinc/06/89/08/823068908.db2.gz XVVJEKDHMWGCLL-KXBFYZLASA-N 1 0 397.485 4.287 20 0 GIADRO CN(C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1)C1CCCCC1 ZINC000175906441 823069262 /nfs/dbraw/zinc/06/92/62/823069262.db2.gz BAVQEOCNKCWMJV-UHFFFAOYSA-N 1 0 387.568 4.032 20 0 GIADRO C[C@H](N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000120814695 823069494 /nfs/dbraw/zinc/06/94/94/823069494.db2.gz HOBDBHYSMSSBKS-JTSKRJEESA-N 1 0 377.532 4.404 20 0 GIADRO CO[C@H]1C[C@H]2C[C@H]([NH2+]Cc3cccc(NC(=O)c4cccc(F)c4)c3)C[C@H]2C1 ZINC000570674551 823070569 /nfs/dbraw/zinc/07/05/69/823070569.db2.gz NUFONDOUQYKNBR-TVACAODXSA-N 1 0 382.479 4.371 20 0 GIADRO Cc1cccc(C)c1[C@H](C)NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458670117 823072430 /nfs/dbraw/zinc/07/24/30/823072430.db2.gz TYSCAJAQJJUHCH-INIZCTEOSA-N 1 0 385.474 4.423 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(OCC(F)(F)F)c(C)c2)[C@H](C)C1 ZINC000120819612 823070882 /nfs/dbraw/zinc/07/08/82/823070882.db2.gz YOSGVRHKULZKCQ-GDBMZVCRSA-N 1 0 387.446 4.130 20 0 GIADRO C[C@H](CCCc1cccnc1)NC(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000458661345 823071120 /nfs/dbraw/zinc/07/11/20/823071120.db2.gz DYAMASVTOYCKRD-QTEQDKRBSA-N 1 0 394.563 4.003 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC(=O)N1CCC(CC[NH3+])CC1 ZINC000570688746 823072259 /nfs/dbraw/zinc/07/22/59/823072259.db2.gz BBRVSKOYHZNFJX-MRXNPFEDSA-N 1 0 386.565 4.258 20 0 GIADRO COCCc1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2cccc(Cl)c2Cl)cc1 ZINC000570692418 823072654 /nfs/dbraw/zinc/07/26/54/823072654.db2.gz FZVUGFGVVIVBSG-ZBFHGGJFSA-N 1 0 398.330 4.273 20 0 GIADRO Cc1nc(C[NH2+]CCOc2c(Cl)cc(Br)cc2Cl)[nH]c1C ZINC000570698322 823073178 /nfs/dbraw/zinc/07/31/78/823073178.db2.gz FMGDPOGYSXTENF-UHFFFAOYSA-N 1 0 393.112 4.264 20 0 GIADRO NC(=O)N1CCC([NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CCCCC2)CC1 ZINC000570701378 823073355 /nfs/dbraw/zinc/07/33/55/823073355.db2.gz MFJCYWJYGPLFEO-GOSISDBHSA-N 1 0 383.458 4.460 20 0 GIADRO C[C@H](Cc1cccc(F)c1)N(C)C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000458681323 823073425 /nfs/dbraw/zinc/07/34/25/823073425.db2.gz NSRWQVLIPMWENV-DXIQSLLYSA-N 1 0 397.538 4.309 20 0 GIADRO COc1ccc(OCc2ccccn2)c(C[NH2+]Cc2ccc(C(C)(C)O)cc2)c1 ZINC000187506958 823077258 /nfs/dbraw/zinc/07/72/58/823077258.db2.gz QJFKANPKQVBSLC-UHFFFAOYSA-N 1 0 392.499 4.186 20 0 GIADRO Cc1ccc2snc(C(=O)N3CC[C@@H](C)[N@@H+](Cc4ccccc4)CC3)c2c1 ZINC000570704230 823073694 /nfs/dbraw/zinc/07/36/94/823073694.db2.gz NTOFIYUBKVYSBU-QGZVFWFLSA-N 1 0 379.529 4.341 20 0 GIADRO CCCC[NH+]1CCC(NC(=O)Nc2ccc(-c3nc(C(C)C)no3)cc2)CC1 ZINC000175923358 823073814 /nfs/dbraw/zinc/07/38/14/823073814.db2.gz INCQLYKRVORRMO-UHFFFAOYSA-N 1 0 385.512 4.246 20 0 GIADRO CC(C)(O)c1ccc(C[NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)cc1 ZINC000187505492 823077057 /nfs/dbraw/zinc/07/70/57/823077057.db2.gz YBOVWFHNZYDZOO-HXUWFJFHSA-N 1 0 389.923 4.415 20 0 GIADRO CC[C@H]([NH2+]Cc1ccccc1C(F)(F)F)c1ccccc1OCC(=O)N(C)C ZINC000120844354 823075339 /nfs/dbraw/zinc/07/53/39/823075339.db2.gz MEXRPMKPXIIJGQ-SFHVURJKSA-N 1 0 394.437 4.413 20 0 GIADRO Cc1c([C@H](C)N[C@H](C[NH+]2CCCC2)c2ccccc2)nnn1-c1ccc(F)cc1 ZINC000120844717 823075408 /nfs/dbraw/zinc/07/54/08/823075408.db2.gz ROCCMCDOVLLMNV-HTAPYJJXSA-N 1 0 393.510 4.203 20 0 GIADRO CSc1ccc([C@@H](CNC(=O)NCc2ccc3ncccc3c2)[NH+](C)C)cc1 ZINC000458708923 823077154 /nfs/dbraw/zinc/07/71/54/823077154.db2.gz AWSZMVMJRYGPMF-OAQYLSRUSA-N 1 0 394.544 4.059 20 0 GIADRO COc1ccc2c(c1)oc(C(=O)N[C@H]1CC[N@@H+]3CCCC[C@H]13)c2-c1ccccc1 ZINC000055996717 823076397 /nfs/dbraw/zinc/07/63/97/823076397.db2.gz DHWWQZTXOMVMSF-VQTJNVASSA-N 1 0 390.483 4.465 20 0 GIADRO Cc1cc(Br)cc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000187508595 823077522 /nfs/dbraw/zinc/07/75/22/823077522.db2.gz QDIDRMPTIRQWNZ-KSSFIOAISA-N 1 0 392.341 4.238 20 0 GIADRO O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccc(C(F)(F)F)nc1 ZINC000570735605 823078412 /nfs/dbraw/zinc/07/84/12/823078412.db2.gz SQZJHVQCUKOSQA-QGZVFWFLSA-N 1 0 391.437 4.133 20 0 GIADRO Cn1cc([C@@H]2C[N@@H+]([C@H](C(=O)Nc3ccccc3)c3ccccc3)CC2(C)C)cn1 ZINC000570735901 823078564 /nfs/dbraw/zinc/07/85/64/823078564.db2.gz AGCMLIJUDIXPGR-VXKWHMMOSA-N 1 0 388.515 4.226 20 0 GIADRO CC(C)Oc1ccccc1CNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000175944629 823078566 /nfs/dbraw/zinc/07/85/66/823078566.db2.gz YRZIWMPXDDDILI-UHFFFAOYSA-N 1 0 395.547 4.280 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)CCc1cc(F)ccc1F ZINC000056010128 823078658 /nfs/dbraw/zinc/07/86/58/823078658.db2.gz CTHFYHSGBARGQN-UHFFFAOYSA-N 1 0 376.447 4.257 20 0 GIADRO COc1ccc([C@@H](C)N[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1NC(C)=O ZINC000120861399 823078746 /nfs/dbraw/zinc/07/87/46/823078746.db2.gz QAAQARNOGBEMCX-VGSWGCGISA-N 1 0 381.520 4.141 20 0 GIADRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cccc(OCc4ccccc4F)c3)[C@H]2C1 ZINC000570756045 823081590 /nfs/dbraw/zinc/08/15/90/823081590.db2.gz PHGVIMFFKNNTPL-APTRMMRNSA-N 1 0 396.506 4.141 20 0 GIADRO C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]Cc1ccc(C(F)F)cc1 ZINC000187525068 823081603 /nfs/dbraw/zinc/08/16/03/823081603.db2.gz HRYOSKIGBFABRT-RHSMWYFYSA-N 1 0 384.467 4.128 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CN[C@H](c1nc[nH]n1)c1ccccc1 ZINC000570756144 823081654 /nfs/dbraw/zinc/08/16/54/823081654.db2.gz UKPOQCKEADBZBJ-GCJKJVERSA-N 1 0 375.520 4.058 20 0 GIADRO 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 823080482 /nfs/dbraw/zinc/08/04/82/823080482.db2.gz WQMPPTNQWBSTKY-YVWKXTFCSA-N 1 0 395.469 4.079 20 0 GIADRO CCC[C@H]1CN(C(=O)c2cncc(C(F)(F)F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000570754106 823081151 /nfs/dbraw/zinc/08/11/51/823081151.db2.gz LUAGHDOOCGOXAY-IBGZPJMESA-N 1 0 391.437 4.227 20 0 GIADRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)N(C)[C@H]1C[C@H](c2cccc(OC)c2)C1)c1ccco1 ZINC000458750211 823081234 /nfs/dbraw/zinc/08/12/34/823081234.db2.gz BGYKGWVHJNWKCM-VELGLUOQSA-N 1 0 399.535 4.305 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)c1cc(=O)c2ccccc2o1 ZINC000056042013 823081259 /nfs/dbraw/zinc/08/12/59/823081259.db2.gz OLCQOWNYSGRYNI-UHFFFAOYSA-N 1 0 376.456 4.074 20 0 GIADRO CC(C)[C@H](C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccccc1 ZINC000120884668 823082013 /nfs/dbraw/zinc/08/20/13/823082013.db2.gz HNMMPSZSISJXBX-QHCPKHFHSA-N 1 0 380.532 4.269 20 0 GIADRO CO[C@@H](C)c1cccc(NC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000175956491 823082025 /nfs/dbraw/zinc/08/20/25/823082025.db2.gz ZHHIMVAJQWOHSU-AZUAARDMSA-N 1 0 381.520 4.380 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)N(Cc2ccc(OC)cc2)[C@@H](C)C2CC2)CC1 ZINC000175956989 823082037 /nfs/dbraw/zinc/08/20/37/823082037.db2.gz KNMKVSNTPFQJLT-SFHVURJKSA-N 1 0 387.568 4.127 20 0 GIADRO COc1cccc2[nH]cc(CC[NH2+][C@H](C)c3ncc(Br)cc3F)c21 ZINC000187531588 823083246 /nfs/dbraw/zinc/08/32/46/823083246.db2.gz XTLQKIFAWNNMOQ-LLVKDONJSA-N 1 0 392.272 4.366 20 0 GIADRO COc1cccc(NC(=O)CC[NH2+][C@@H](C)c2ccc(Br)s2)c1 ZINC000411604104 823590056 /nfs/dbraw/zinc/59/00/56/823590056.db2.gz NPQHRFBQSFXWEC-NSHDSACASA-N 1 0 383.311 4.199 20 0 GIADRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)N1CC(c2ccc(Cl)cc2)C1)c1ccco1 ZINC000458780498 823084712 /nfs/dbraw/zinc/08/47/12/823084712.db2.gz VGOAFNKJZOYTDE-KDOFPFPSSA-N 1 0 375.900 4.171 20 0 GIADRO COc1ccc(NC(=O)c2nnc(C[NH2+][C@H]3CCC(C)(C)C[C@H]3C)s2)cc1 ZINC000120914720 823086084 /nfs/dbraw/zinc/08/60/84/823086084.db2.gz UBNHCPQFUWGSQE-CJNGLKHVSA-N 1 0 388.537 4.103 20 0 GIADRO Cc1cc(C)cc(OCc2noc(CN3CC4(CCC4)[C@@H]3C3CCOCC3)n2)c1 ZINC000570796038 823088704 /nfs/dbraw/zinc/08/87/04/823088704.db2.gz HQXBNAPNZCOCLT-QFIPXVFZSA-N 1 0 397.519 4.047 20 0 GIADRO c1nc(-c2ccccc2)[nH]c1C[NH2+]C1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000175985992 823088966 /nfs/dbraw/zinc/08/89/66/823088966.db2.gz VFXRFNUQSGDCSB-UHFFFAOYSA-N 1 0 375.472 4.407 20 0 GIADRO C[C@H]([NH2+]CCCCCCOc1ccc(Cl)cc1)C1CCS(=O)(=O)CC1 ZINC000187563622 823089116 /nfs/dbraw/zinc/08/91/16/823089116.db2.gz UHENOGDZCVXRBO-INIZCTEOSA-N 1 0 387.973 4.082 20 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ZINC000570825289 823092121 /nfs/dbraw/zinc/09/21/21/823092121.db2.gz ZARPWCLHBSYFBL-JOCHJYFZSA-N 1 0 386.486 4.493 20 0 GIADRO Cc1ccc(C)c(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)c1 ZINC000056159739 823092157 /nfs/dbraw/zinc/09/21/57/823092157.db2.gz XPUCZVGLUOFQOQ-DLBZAZTESA-N 1 0 394.519 4.265 20 0 GIADRO CCCOc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(N(C)C)cc2)cc1OC ZINC000056161830 823092990 /nfs/dbraw/zinc/09/29/90/823092990.db2.gz GPBCQFMCWUWCPG-IRXDYDNUSA-N 1 0 399.535 4.228 20 0 GIADRO C[NH+](C)CCc1ccccc1NC(=O)NC[C@H](Cc1ccccc1)C(F)(F)F ZINC000570860996 823097755 /nfs/dbraw/zinc/09/77/55/823097755.db2.gz COFNMLDRSMLJKO-SFHVURJKSA-N 1 0 393.453 4.333 20 0 GIADRO CCc1ccc(NC(=O)[C@H](C)Nc2ccc(N3CC[NH+](CC)CC3)cc2C)cc1 ZINC000056170177 823094691 /nfs/dbraw/zinc/09/46/91/823094691.db2.gz WZXNXFOZWLLKRZ-IBGZPJMESA-N 1 0 394.563 4.138 20 0 GIADRO C[NH+](C)CCN(Cc1cccs1)C(=O)Nc1cccc(CC(F)(F)F)c1 ZINC000176021621 823097903 /nfs/dbraw/zinc/09/79/03/823097903.db2.gz GPVBSMJZUJRENI-UHFFFAOYSA-N 1 0 385.455 4.449 20 0 GIADRO COCCOCc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)CC2(C)C)cc1 ZINC000570849077 823095346 /nfs/dbraw/zinc/09/53/46/823095346.db2.gz SIALWAIVVQDIGL-XMMPIXPASA-N 1 0 396.575 4.240 20 0 GIADRO CCOc1cccc([C@H](C)NC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000176012209 823095515 /nfs/dbraw/zinc/09/55/15/823095515.db2.gz LVQNGTPPYNKLGO-FPOVZHCZSA-N 1 0 395.547 4.310 20 0 GIADRO COCCN(C)c1ccc(C[NH+]2CCC([C@@H](F)c3ccccc3F)CC2)cn1 ZINC000570858446 823097059 /nfs/dbraw/zinc/09/70/59/823097059.db2.gz XRNBQRWYEFUZLK-JOCHJYFZSA-N 1 0 389.490 4.226 20 0 GIADRO O=C(Nc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)cc1)c1ccco1 ZINC000187636618 823102743 /nfs/dbraw/zinc/10/27/43/823102743.db2.gz XHULUKSZPCJZLS-UHFFFAOYSA-N 1 0 385.807 4.383 20 0 GIADRO CN(Cc1cccc(C(F)(F)F)c1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000176025959 823098907 /nfs/dbraw/zinc/09/89/07/823098907.db2.gz CWOYFUNBVYHRMM-UHFFFAOYSA-N 1 0 383.458 4.254 20 0 GIADRO CC(C)(C)c1csc(CCNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)n1 ZINC000570873625 823099982 /nfs/dbraw/zinc/09/99/82/823099982.db2.gz QZMXRQIYXSUUAA-UHFFFAOYSA-N 1 0 385.577 4.399 20 0 GIADRO CN(CCCOc1cccc(Cl)c1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000176032366 823100884 /nfs/dbraw/zinc/10/08/84/823100884.db2.gz MCVOTNKWCGZUIC-UHFFFAOYSA-N 1 0 393.959 4.157 20 0 GIADRO CCCO[C@@H]1CCCN(C(=O)NC[C@@H](c2ccc(SC)cc2)[NH+](C)C)CC1 ZINC000458883926 823101671 /nfs/dbraw/zinc/10/16/71/823101671.db2.gz FRASUMLDKJZRKX-QUCCMNQESA-N 1 0 393.597 4.002 20 0 GIADRO CCO[C@@H]1C[C@]([NH3+])(C(=O)NCC(CC)(CC)c2ccc(Cl)cc2)C1(C)C ZINC000187634486 823102478 /nfs/dbraw/zinc/10/24/78/823102478.db2.gz BWQDKWKYTMFEAT-UTKZUKDTSA-N 1 0 380.960 4.047 20 0 GIADRO Cc1c(NC(=O)N[C@@H](C)C[N@H+](C)C(C)C)cccc1C(=O)Nc1ccccc1 ZINC000570887507 823102506 /nfs/dbraw/zinc/10/25/06/823102506.db2.gz DYXURAGGJSFWPX-INIZCTEOSA-N 1 0 382.508 4.098 20 0 GIADRO CCC(CC)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000056207104 823103201 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C[C@@H](C[NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1)c1cccc(Cl)c1 ZINC000187649422 823104942 /nfs/dbraw/zinc/10/49/42/823104942.db2.gz CAOUWZCIPGSDAQ-KRWDZBQOSA-N 1 0 385.939 4.136 20 0 GIADRO COc1ccc(NC(=O)[C@@H](C)Nc2ccc(CC[NH+]3CCCCC3)cc2)cc1 ZINC000056216164 823105279 /nfs/dbraw/zinc/10/52/79/823105279.db2.gz GISIVGJVUVFVEE-GOSISDBHSA-N 1 0 381.520 4.163 20 0 GIADRO C[C@H](Nc1ccc(CC[NH+]2CCCCC2)cc1)C(=O)N1CCc2sccc2C1 ZINC000056216145 823105327 /nfs/dbraw/zinc/10/53/27/823105327.db2.gz KVZSGVFNGSAWFI-SFHVURJKSA-N 1 0 397.588 4.162 20 0 GIADRO C[C@@H](Nc1ccc(CC[NH+]2CCCCC2)cc1)C(=O)N1CCc2sccc2C1 ZINC000056216146 823105337 /nfs/dbraw/zinc/10/53/37/823105337.db2.gz KVZSGVFNGSAWFI-GOSISDBHSA-N 1 0 397.588 4.162 20 0 GIADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)NC[C@H]2CCC[C@H]2c2ccccc2)CC1 ZINC000458916731 823105982 /nfs/dbraw/zinc/10/59/82/823105982.db2.gz AVTOOLRCXKFXGN-OFNKIYASSA-N 1 0 395.547 4.469 20 0 GIADRO CCCn1c2ccccc2nc1CN1CCC(C(=O)N2CCCCCC2)CC1 ZINC000121033528 823106248 /nfs/dbraw/zinc/10/62/48/823106248.db2.gz GZSSKFZVJAUPOH-UHFFFAOYSA-N 1 0 382.552 4.061 20 0 GIADRO CC1CC[NH+](Cc2ccc(CNC(=O)NCC(C)(C)C(F)(F)F)cc2)CC1 ZINC000570908542 823106279 /nfs/dbraw/zinc/10/62/79/823106279.db2.gz REKJOFQGEWJLDS-UHFFFAOYSA-N 1 0 385.474 4.306 20 0 GIADRO COc1ccccc1C[C@H](C)[NH2+][C@H]1CCCN([C@H](C)c2ccccc2F)C1=O ZINC000570914236 823106791 /nfs/dbraw/zinc/10/67/91/823106791.db2.gz QYRKDMXSRYYNHC-FVJLSDCUSA-N 1 0 384.495 4.107 20 0 GIADRO Cc1cc(-c2nnc(N3CC[N@@H+]4CCCC[C@@H]4C3)n2C(C)C)c2ccccc2n1 ZINC000570917441 823107451 /nfs/dbraw/zinc/10/74/51/823107451.db2.gz COSXMNHNQMVXOX-GOSISDBHSA-N 1 0 390.535 4.057 20 0 GIADRO COc1ccc([C@@H](C)CC(=O)Nc2ccccc2NC2CC[NH+](C)CC2)cc1 ZINC000176057392 823108735 /nfs/dbraw/zinc/10/87/35/823108735.db2.gz OWXAFLYDFWXGHZ-KRWDZBQOSA-N 1 0 381.520 4.334 20 0 GIADRO Cc1ccc(C2(CNC(=O)N(Cc3ccco3)C3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000458932269 823108295 /nfs/dbraw/zinc/10/82/95/823108295.db2.gz VKPRCDCAUUJHQB-UHFFFAOYSA-N 1 0 395.547 4.234 20 0 GIADRO C[C@@H](C[C@@H](O)c1ccc(F)cc1)[NH2+]C1CCC2(CC1)C(=O)Nc1ccccc12 ZINC000121049983 823108935 /nfs/dbraw/zinc/10/89/35/823108935.db2.gz XJYKTUVABCNDSX-YNWSRWLJSA-N 1 0 382.479 4.060 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)[C@H](C)c1ccc(OC)cc1 ZINC000121051361 823109391 /nfs/dbraw/zinc/10/93/91/823109391.db2.gz RXWZNIIHVRRBSN-GOSISDBHSA-N 1 0 383.536 4.440 20 0 GIADRO COc1ccc2c(c1)c(C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)c(C)n2C1CCCC1 ZINC000121050783 823109395 /nfs/dbraw/zinc/10/93/95/823109395.db2.gz YTWRIPNQSSADMD-GOSISDBHSA-N 1 0 397.563 4.487 20 0 GIADRO C[C@@H]1CN(C(=O)N[C@H]2CCCC[C@H]2CC(F)(F)F)CC[N@@H+](C2CCC2)C1 ZINC000458940388 823109447 /nfs/dbraw/zinc/10/94/47/823109447.db2.gz FXOZYAIRNDGQCA-ZOBUZTSGSA-N 1 0 375.479 4.013 20 0 GIADRO Cc1cnccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000121052808 823109720 /nfs/dbraw/zinc/10/97/20/823109720.db2.gz XDUIOVIGLBNFKO-UHFFFAOYSA-N 1 0 380.414 4.005 20 0 GIADRO CC(C)(C(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)c1ccccc1 ZINC000570954515 823111851 /nfs/dbraw/zinc/11/18/51/823111851.db2.gz PADFKIDQCOTNML-UHFFFAOYSA-N 1 0 376.544 4.479 20 0 GIADRO O[C@H](C[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1)COCc1cccs1 ZINC000570956495 823112018 /nfs/dbraw/zinc/11/20/18/823112018.db2.gz QRRFMXVILOAMIL-OAHLLOKOSA-N 1 0 394.949 4.192 20 0 GIADRO C[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccc(F)c2ccccc21 ZINC000570960852 823112249 /nfs/dbraw/zinc/11/22/49/823112249.db2.gz JQDQVZDPKOVNRJ-MJGOQNOKSA-N 1 0 391.490 4.463 20 0 GIADRO CC(C)CC1(C(=O)Nc2ccc(NC(=O)NC3CC[NH+](C)CC3)cc2)CCC1 ZINC000121070644 823112543 /nfs/dbraw/zinc/11/25/43/823112543.db2.gz BNWYQCVVLYSZJJ-UHFFFAOYSA-N 1 0 386.540 4.057 20 0 GIADRO Cc1nc2ccccn2c(=O)c1CC[N@@H+]([C@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000570976063 823114456 /nfs/dbraw/zinc/11/44/56/823114456.db2.gz YZGWQZOQJYYRLN-MRXNPFEDSA-N 1 0 381.907 4.424 20 0 GIADRO CCOC(=O)N1CCC([C@@H](C)[NH2+][C@H](C)c2ccc(-n3ccnc3C)cc2)CC1 ZINC000187694417 823114671 /nfs/dbraw/zinc/11/46/71/823114671.db2.gz QHMNFBGKJGJBCZ-IAGOWNOFSA-N 1 0 384.524 4.088 20 0 GIADRO CC[C@@H](C(=O)Nc1ccc(CN(C(C)=O)C2CC2)cc1)[N@H+](C)Cc1ccccc1 ZINC000570980328 823115020 /nfs/dbraw/zinc/11/50/20/823115020.db2.gz VYSVSJJVGSLDGA-QHCPKHFHSA-N 1 0 393.531 4.047 20 0 GIADRO CCC[C@H](NC(=O)N(C)C[C@@H]1CCC[N@H+](CC)[C@H]1c1cnn(C)c1)C(C)(C)C ZINC000459003528 823115163 /nfs/dbraw/zinc/11/51/63/823115163.db2.gz LWUPDLRTNJQJBK-YSIASYRMSA-N 1 0 391.604 4.049 20 0 GIADRO Cc1cc(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)ccc1NC(=O)c1cccs1 ZINC000121084264 823115522 /nfs/dbraw/zinc/11/55/22/823115522.db2.gz WWIYQEMCYCMLHV-KRWDZBQOSA-N 1 0 399.560 4.159 20 0 GIADRO CC[C@@H](C)Oc1ccc(C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)cc1 ZINC000121083487 823115527 /nfs/dbraw/zinc/11/55/27/823115527.db2.gz MMDNZNDGQFLKCL-GOSISDBHSA-N 1 0 396.531 4.321 20 0 GIADRO CC(C)(C)c1n[nH]cc1CNc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000121086600 823115694 /nfs/dbraw/zinc/11/56/94/823115694.db2.gz HUAUGNUWVMAZCK-UHFFFAOYSA-N 1 0 383.540 4.134 20 0 GIADRO CC(C)CCn1nc(CNC(=O)NC(C)(C)CCC[NH+](C)C)c2ccccc21 ZINC000459006310 823115881 /nfs/dbraw/zinc/11/58/81/823115881.db2.gz MCXFWELXHAVAKZ-UHFFFAOYSA-N 1 0 387.572 4.002 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H](c2ccc(F)c(Cl)c2)C2CC2)C1 ZINC000459008574 823116183 /nfs/dbraw/zinc/11/61/83/823116183.db2.gz LYAPBIAACRRZSL-LIRRHRJNSA-N 1 0 381.923 4.304 20 0 GIADRO COc1ccc(-c2cc(C(=O)N3CCC([NH+]4CCCC4)CC3)sc2C)cc1 ZINC000121089353 823116416 /nfs/dbraw/zinc/11/64/16/823116416.db2.gz APVJBZCJRHHXRI-UHFFFAOYSA-N 1 0 384.545 4.433 20 0 GIADRO COc1cc2c(cc1F)[nH+]ccc2N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000570993158 823116962 /nfs/dbraw/zinc/11/69/62/823116962.db2.gz LLBHMSKBFDKNTQ-FGSXEWAUSA-N 1 0 378.447 4.391 20 0 GIADRO CC[N@H+](CCC1CCN(C(=O)NC[C@H]2CCOC3(CCC3)C2)CC1)CC(C)C ZINC000459021907 823117980 /nfs/dbraw/zinc/11/79/80/823117980.db2.gz OUTBVSMKMPKTBU-NRFANRHFSA-N 1 0 393.616 4.125 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H]2CCOC3(CCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000459022869 823118074 /nfs/dbraw/zinc/11/80/74/823118074.db2.gz PCNUZGWJVCKFPZ-HJNYFJLDSA-N 1 0 399.579 4.030 20 0 GIADRO CSc1ccc([C@H](CNC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)[NH+](C)C)cc1 ZINC000571001680 823118224 /nfs/dbraw/zinc/11/82/24/823118224.db2.gz YVYUWKHJYIWYQO-UXLLHSPISA-N 1 0 388.499 4.496 20 0 GIADRO CSc1ccc([C@H](CNC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)[NH+](C)C)cc1 ZINC000571001682 823118265 /nfs/dbraw/zinc/11/82/65/823118265.db2.gz YVYUWKHJYIWYQO-ZOBUZTSGSA-N 1 0 388.499 4.496 20 0 GIADRO CC(C)c1oc([C@H]2CCCN2C(=O)NC[C@H](C)[NH+](C)C)nc1-c1ccccc1 ZINC000459039957 823119593 /nfs/dbraw/zinc/11/95/93/823119593.db2.gz KOPPLTGVLVBXOQ-FUHWJXTLSA-N 1 0 384.524 4.262 20 0 GIADRO C[NH+](C)CCC1CCN(C(=O)N[C@@H](c2ccc(F)c(Cl)c2)C2CC2)CC1 ZINC000459027240 823118715 /nfs/dbraw/zinc/11/87/15/823118715.db2.gz WMJQQICFSNNUMV-LJQANCHMSA-N 1 0 381.923 4.304 20 0 GIADRO CC(C)c1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000121102448 823118759 /nfs/dbraw/zinc/11/87/59/823118759.db2.gz QFTVBHKGNZMTKT-IRXDYDNUSA-N 1 0 377.492 4.069 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)Cc2ccccc2C(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000176100665 823120259 /nfs/dbraw/zinc/12/02/59/823120259.db2.gz MTBUHKRZZSEYOE-APWZRJJASA-N 1 0 390.449 4.417 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)c1ccc(Br)cc1F ZINC000187734656 823121956 /nfs/dbraw/zinc/12/19/56/823121956.db2.gz YARWUVJKCLHBLY-CYBMUJFWSA-N 1 0 389.272 4.079 20 0 GIADRO C[C@@H](C[C@@H](O)c1cccs1)[NH2+]C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000121136635 823124600 /nfs/dbraw/zinc/12/46/00/823124600.db2.gz BTBYKAFVYNNKBK-KBXCAEBGSA-N 1 0 392.952 4.108 20 0 GIADRO Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000121129757 823123315 /nfs/dbraw/zinc/12/33/15/823123315.db2.gz XMLVKXGMDHOLSM-KRWDZBQOSA-N 1 0 396.535 4.345 20 0 GIADRO O=C(Nc1cccc(Oc2cnccn2)c1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000121131722 823123666 /nfs/dbraw/zinc/12/36/66/823123666.db2.gz CLSBHUYHGMZMMK-OAQYLSRUSA-N 1 0 388.471 4.262 20 0 GIADRO COc1ccc(S[C@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000176115612 823125035 /nfs/dbraw/zinc/12/50/35/823125035.db2.gz PJNRPRMTSCSKAY-NLWGTHIKSA-N 1 0 398.572 4.345 20 0 GIADRO CCc1noc(C2CCC([NH2+][C@@H]3CCCN(C(=O)OC(C)(C)C)[C@@H]3C)CC2)n1 ZINC000187751884 823125516 /nfs/dbraw/zinc/12/55/16/823125516.db2.gz LZXXYLOPGVAPFG-RDHHWEPZSA-N 1 0 392.544 4.036 20 0 GIADRO CSc1cc(NC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)ccc1Cl ZINC000571053877 823125559 /nfs/dbraw/zinc/12/55/59/823125559.db2.gz JWKOUOYYSOYBHW-OAHLLOKOSA-N 1 0 375.925 4.308 20 0 GIADRO CSc1cc(NC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)ccc1Cl ZINC000571053876 823125574 /nfs/dbraw/zinc/12/55/74/823125574.db2.gz JWKOUOYYSOYBHW-HNNXBMFYSA-N 1 0 375.925 4.308 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)Cc2ccc(C(F)(F)F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000176117618 823126186 /nfs/dbraw/zinc/12/61/86/823126186.db2.gz NOBUOMUDXSGIGG-UZLBHIALSA-N 1 0 390.449 4.417 20 0 GIADRO Fc1ccc(-c2n[nH]cc2C[NH2+]CCc2cnc(SC3CCCC3)nc2)cc1 ZINC000571058142 823126273 /nfs/dbraw/zinc/12/62/73/823126273.db2.gz MKSLJXPKZRXRBU-UHFFFAOYSA-N 1 0 397.523 4.373 20 0 GIADRO CC[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(Cl)cc1 ZINC000121144188 823126501 /nfs/dbraw/zinc/12/65/01/823126501.db2.gz OYKNQOCCJKFLFR-IFXJQAMLSA-N 1 0 380.941 4.392 20 0 GIADRO CCO[C@H]1C[C@]([NH3+])(C(=O)Nc2cccc(OCc3cccc(C)c3)c2)C1(C)C ZINC000187760895 823127473 /nfs/dbraw/zinc/12/74/73/823127473.db2.gz CXADXNSJRBRPTL-REWPJTCUSA-N 1 0 382.504 4.045 20 0 GIADRO C[C@H](NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1ncc(-c2ccccc2)o1 ZINC000121163316 823130087 /nfs/dbraw/zinc/13/00/87/823130087.db2.gz XDEAKNMTTXBZKE-HKUYNNGSSA-N 1 0 382.508 4.063 20 0 GIADRO O=C(c1ccc(C2SCCCS2)cc1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000121151719 823128058 /nfs/dbraw/zinc/12/80/58/823128058.db2.gz XAVUCVWVQKYQMC-SFHVURJKSA-N 1 0 376.591 4.256 20 0 GIADRO CC(C)(C[NH2+]C[C@H](O)COC(c1ccccc1)c1ccccc1)C(F)(F)F ZINC000571076882 823128341 /nfs/dbraw/zinc/12/83/41/823128341.db2.gz XMLRINICAOXGFV-SFHVURJKSA-N 1 0 381.438 4.332 20 0 GIADRO Cc1cnc(C2CCN(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C)CC2)s1 ZINC000571076572 823128455 /nfs/dbraw/zinc/12/84/55/823128455.db2.gz LVKXVVCDGFJIQH-YLJYHZDGSA-N 1 0 398.576 4.004 20 0 GIADRO C[C@H]1Sc2ccc(C(=O)Nc3ccc(CC[NH+]4CCCC4)cc3)cc2NC1=O ZINC000056326402 823128550 /nfs/dbraw/zinc/12/85/50/823128550.db2.gz DKCLSEAXYYBBRK-OAHLLOKOSA-N 1 0 395.528 4.010 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000056326367 823128556 /nfs/dbraw/zinc/12/85/56/823128556.db2.gz MHQOWHGYLAQOQE-QHCPKHFHSA-N 1 0 394.515 4.135 20 0 GIADRO Cc1c(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)cnn1-c1ccc(F)cc1 ZINC000056327481 823128871 /nfs/dbraw/zinc/12/88/71/823128871.db2.gz HAGDXDMIKQOISW-UHFFFAOYSA-N 1 0 392.478 4.210 20 0 GIADRO CC[N@H+](CC(=O)Nc1cc(OC)c(Cl)cc1OC)[C@@H](C)Cc1ccsc1 ZINC000187775400 823130322 /nfs/dbraw/zinc/13/03/22/823130322.db2.gz RVPNKUPUMNAAKA-ZDUSSCGKSA-N 1 0 396.940 4.310 20 0 GIADRO CC(C)C(=O)Nc1ccc(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)cc1 ZINC000056332062 823129494 /nfs/dbraw/zinc/12/94/94/823129494.db2.gz RQIYCFZAZILNRV-UHFFFAOYSA-N 1 0 379.504 4.172 20 0 GIADRO CCN(C(=O)NC[C@@H]1CCOC(C)(C)C1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000459129114 823131874 /nfs/dbraw/zinc/13/18/74/823131874.db2.gz DGLNSDPFYHYLCK-SFHLNBCPSA-N 1 0 387.568 4.059 20 0 GIADRO Cc1cc2cc(NC(=O)N(C)C[C@@H]3CC[N@H+](Cc4ccccc4)C3)ccc2[nH]1 ZINC000176134745 823132342 /nfs/dbraw/zinc/13/23/42/823132342.db2.gz BQWLUHPSDQHMFG-IBGZPJMESA-N 1 0 376.504 4.462 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@@H](C)C[C@H](O)c2cccs2)nnn1-c1cccc(Cl)c1 ZINC000121177310 823132436 /nfs/dbraw/zinc/13/24/36/823132436.db2.gz CYMYAPFOMIKVFE-DCGLDWPTSA-N 1 0 390.940 4.453 20 0 GIADRO Clc1ccc(OC[C@@H]2CCCO2)c(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000121177453 823132962 /nfs/dbraw/zinc/13/29/62/823132962.db2.gz XWWKLVKOEZDYAM-YJBOKZPZSA-N 1 0 375.900 4.001 20 0 GIADRO C[C@@H](CC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)c1ccc(F)cc1 ZINC000571112132 823133942 /nfs/dbraw/zinc/13/39/42/823133942.db2.gz NYZLEAGQAVSABH-YADARESESA-N 1 0 380.507 4.444 20 0 GIADRO C[N@H+](CCCCNC(=O)N1CCC(c2nc3ccccc3s2)CC1)C1CC1 ZINC000459141043 823134091 /nfs/dbraw/zinc/13/40/91/823134091.db2.gz FAOCMDDXERHSKC-UHFFFAOYSA-N 1 0 386.565 4.060 20 0 GIADRO COc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(CN3CCOCC3)c1)CCCS2 ZINC000187793263 823134154 /nfs/dbraw/zinc/13/41/54/823134154.db2.gz AFULYKVGDCUSDY-JOCHJYFZSA-N 1 0 398.572 4.244 20 0 GIADRO COc1ccc([C@@H](C[NH2+]C[C@](C)(O)C(F)(F)F)c2c[nH]c3ccccc32)cc1 ZINC000571116289 823134378 /nfs/dbraw/zinc/13/43/78/823134378.db2.gz MMBMMMWDEVPHER-XLIONFOSSA-N 1 0 392.421 4.211 20 0 GIADRO CN(C(=O)N[C@H]1CC[C@H](c2cccc(Cl)c2)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000459143464 823134385 /nfs/dbraw/zinc/13/43/85/823134385.db2.gz PVWFIQWONFOGNX-KWVUDZMESA-N 1 0 375.944 4.243 20 0 GIADRO COc1ccc([C@H](NC(=O)N(C)CC[NH+](C(C)C)C(C)C)c2ccco2)cc1 ZINC000459163957 823136687 /nfs/dbraw/zinc/13/66/87/823136687.db2.gz QXALCTYOMFPWRH-NRFANRHFSA-N 1 0 387.524 4.138 20 0 GIADRO Fc1ccc([C@H](C[NH2+]C2CC(c3cc(F)cc(F)c3)C2)N2CCOCC2)cc1 ZINC000571125717 823136827 /nfs/dbraw/zinc/13/68/27/823136827.db2.gz GOXUWYVZQAMWJH-IVXJCAOYSA-N 1 0 390.449 4.013 20 0 GIADRO CCN(Cc1ccc(OC)cc1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000056367441 823138404 /nfs/dbraw/zinc/13/84/04/823138404.db2.gz NGCFHCDLYYTXMG-UHFFFAOYSA-N 1 0 381.520 4.023 20 0 GIADRO CCOc1ccccc1CN(C)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000056373407 823139144 /nfs/dbraw/zinc/13/91/44/823139144.db2.gz WYZNJSTYWXAERZ-UHFFFAOYSA-N 1 0 395.547 4.413 20 0 GIADRO C[N@H+](Cc1ccccn1)[C@@H]1CCCN(C(=O)NCC(C)(C)C2=CCCC2)CC1 ZINC000459181124 823139173 /nfs/dbraw/zinc/13/91/73/823139173.db2.gz SQMAJCIZCSJNQK-OAQYLSRUSA-N 1 0 384.568 4.214 20 0 GIADRO COc1cccc([C@H]2C[C@H](NC(=O)NC3CC[NH+](C4CCCCC4)CC3)C2)c1 ZINC000571139502 823139691 /nfs/dbraw/zinc/13/96/91/823139691.db2.gz LOEAPNITRGQCCZ-KESTWPANSA-N 1 0 385.552 4.038 20 0 GIADRO CCC(CC)n1nccc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000121220971 823141252 /nfs/dbraw/zinc/14/12/52/823141252.db2.gz NFPQBEGUOIEKON-VCSGRIEYSA-N 1 0 380.536 4.170 20 0 GIADRO Cc1noc(C)c1C[C@H](C)[NH2+]C[C@@H](O)COc1ccc(Oc2ccccc2)cc1 ZINC000571158608 823142365 /nfs/dbraw/zinc/14/23/65/823142365.db2.gz PCYNVFRNKYVQPO-QFBILLFUSA-N 1 0 396.487 4.044 20 0 GIADRO Cc1cc(F)ccc1-c1ccc(C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1F ZINC000571163708 823142867 /nfs/dbraw/zinc/14/28/67/823142867.db2.gz GZYSVCQLLSUIQF-ZWKOTPCHSA-N 1 0 384.470 4.402 20 0 GIADRO [NH3+]Cc1ccc(CNC(=O)N[C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000571162477 823142977 /nfs/dbraw/zinc/14/29/77/823142977.db2.gz ATWPOHYLKKFOGE-WKILWMFISA-N 1 0 378.303 4.198 20 0 GIADRO COc1ccc([C@H](NC(=O)N2CCC([NH+]3CCCCC3)CC2)c2ccco2)cc1 ZINC000459203338 823143766 /nfs/dbraw/zinc/14/37/66/823143766.db2.gz IZEIMCIPBRPXDN-QFIPXVFZSA-N 1 0 397.519 4.038 20 0 GIADRO COc1cccc(NC(=O)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)c1 ZINC000121235715 823144338 /nfs/dbraw/zinc/14/43/38/823144338.db2.gz LNVSXGIWEXYJTD-UHFFFAOYSA-N 1 0 382.508 4.117 20 0 GIADRO C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000459210820 823144889 /nfs/dbraw/zinc/14/48/89/823144889.db2.gz JOJHXPLUJHRMEH-CYBMUJFWSA-N 1 0 376.382 4.256 20 0 GIADRO Cc1cc(CCC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)ccc1Br ZINC000176183951 823147278 /nfs/dbraw/zinc/14/72/78/823147278.db2.gz PSQLCFRUDWZSME-SFHVURJKSA-N 1 0 393.369 4.025 20 0 GIADRO c1cc([C@H]2CCC[N@@H+](Cc3cn(Cc4ccccc4)nc3-c3cccnc3)C2)n[nH]1 ZINC000121256762 823149313 /nfs/dbraw/zinc/14/93/13/823149313.db2.gz MQEJRKCEZZLFGF-NRFANRHFSA-N 1 0 398.514 4.096 20 0 GIADRO CN1CC[C@H]([NH2+]Cc2nc3cc(Cl)ccc3n2C)[C@H]1c1ccc(Cl)cc1 ZINC000571211093 823149314 /nfs/dbraw/zinc/14/93/14/823149314.db2.gz ACEPBPLBZUDMBF-OXJNMPFZSA-N 1 0 389.330 4.415 20 0 GIADRO CCN(Cc1ccc(OC)cc1)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000056441169 823149395 /nfs/dbraw/zinc/14/93/95/823149395.db2.gz NQJKJQHOUMMSLH-UHFFFAOYSA-N 1 0 399.510 4.030 20 0 GIADRO C[C@@H](CCCc1cccnc1)NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000459235123 823149408 /nfs/dbraw/zinc/14/94/08/823149408.db2.gz FSRGWNOSBBFWOH-FQEVSTJZSA-N 1 0 394.563 4.099 20 0 GIADRO C[N@@H+]1CCC[C@H](CCNC(=O)N(Cc2ccccc2)Cc2ccccc2F)C1 ZINC000459246589 823151371 /nfs/dbraw/zinc/15/13/71/823151371.db2.gz CGDXPMVJWPTERB-HXUWFJFHSA-N 1 0 383.511 4.269 20 0 GIADRO CCN(Cc1cccc(F)c1)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000056441760 823149791 /nfs/dbraw/zinc/14/97/91/823149791.db2.gz BORQOGGRVHSMOC-UHFFFAOYSA-N 1 0 387.474 4.161 20 0 GIADRO COc1ccc(C[C@H](C)C(=O)N2c3ccc(C)cc3[C@H]3C[N@@H+](C)CC[C@@H]32)cc1 ZINC000121263836 823150599 /nfs/dbraw/zinc/15/05/99/823150599.db2.gz ULACCCBSZDZCNI-LXBDKUERSA-N 1 0 378.516 4.017 20 0 GIADRO C[C@H](CCCc1cccnc1)NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000459244192 823150752 /nfs/dbraw/zinc/15/07/52/823150752.db2.gz MTLOILYSHGNJFS-KCZVDYSFSA-N 1 0 386.584 4.089 20 0 GIADRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1N1CCOCC1)CCCS2 ZINC000187874845 823150819 /nfs/dbraw/zinc/15/08/19/823150819.db2.gz ZSJQYRZEDREVCH-FQEVSTJZSA-N 1 0 384.545 4.249 20 0 GIADRO CCO[C@H]1C[C@]([NH3+])(C(=O)Nc2cccc(CSC3CCCC3)c2)C1(C)C ZINC000187874791 823150909 /nfs/dbraw/zinc/15/09/09/823150909.db2.gz DBZFQJOSMVFJOT-RXVVDRJESA-N 1 0 376.566 4.333 20 0 GIADRO O=C(C[C@H]1CCCN1C(=O)c1cccc(C[NH+]2CCCC2)c1)c1cccs1 ZINC000176205451 823152227 /nfs/dbraw/zinc/15/22/27/823152227.db2.gz MOMNFTNARVAYBB-LJQANCHMSA-N 1 0 382.529 4.222 20 0 GIADRO C[N@@H+]1CCC[C@H](CCNC(=O)N(Cc2ccc(F)cc2F)C2CCCC2)C1 ZINC000459258452 823152915 /nfs/dbraw/zinc/15/29/15/823152915.db2.gz JUKYQBUKFOBBBF-MRXNPFEDSA-N 1 0 379.495 4.151 20 0 GIADRO O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)N[C@@H](c1cccnc1)C1CC1 ZINC000571254137 823156413 /nfs/dbraw/zinc/15/64/13/823156413.db2.gz YRGSMZIUPMKVOF-NFBKMPQASA-N 1 0 392.547 4.134 20 0 GIADRO CC(C)OC(=O)c1ccc(C[NH2+][C@@H]2c3ccccc3CC23CCOCC3)cc1 ZINC000571248341 823155323 /nfs/dbraw/zinc/15/53/23/823155323.db2.gz JMUMEJMGTGCOFS-JOCHJYFZSA-N 1 0 379.500 4.436 20 0 GIADRO CC[NH+](CC)CCOc1ccc(-c2noc(Cc3ccccc3F)n2)cc1OC ZINC000571252129 823155975 /nfs/dbraw/zinc/15/59/75/823155975.db2.gz ZIBWTEXEVRLQPE-UHFFFAOYSA-N 1 0 399.466 4.196 20 0 GIADRO COc1ccc(-c2ccccc2C)cc1C[NH2+]C1CCN(C(=O)C2CC2)CC1 ZINC000459288058 823156734 /nfs/dbraw/zinc/15/67/34/823156734.db2.gz FOBVDLMAVNDOMN-UHFFFAOYSA-N 1 0 378.516 4.161 20 0 GIADRO COc1cc(OC)c(NC(=O)N(CC[NH+](C)C)Cc2ccsc2)cc1Cl ZINC000459291266 823156991 /nfs/dbraw/zinc/15/69/91/823156991.db2.gz DDBBFIKXEOWHKB-UHFFFAOYSA-N 1 0 397.928 4.014 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)Nc1ccccc1N1CCCCC1 ZINC000459292257 823157046 /nfs/dbraw/zinc/15/70/46/823157046.db2.gz APZCCOVNLVYGBA-UHFFFAOYSA-N 1 0 386.565 4.334 20 0 GIADRO COc1cc(OC)c(NC(=O)C[NH2+][C@H](C)c2cccc(Cl)c2)cc1Cl ZINC000121295733 823157230 /nfs/dbraw/zinc/15/72/30/823157230.db2.gz WZOGECVALOVLQF-LLVKDONJSA-N 1 0 383.275 4.300 20 0 GIADRO COc1ccc(-c2ccc(CNC(=O)NC3CC[NH+](CC4CC4)CC3)s2)cc1 ZINC000176243119 823161228 /nfs/dbraw/zinc/16/12/28/823161228.db2.gz JALGCLOFSCZLKC-UHFFFAOYSA-N 1 0 399.560 4.097 20 0 GIADRO Cc1ccc(Br)cc1C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000190697377 823599186 /nfs/dbraw/zinc/59/91/86/823599186.db2.gz CEHOUFGRJORFLB-ZDUSSCGKSA-N 1 0 382.323 4.012 20 0 GIADRO CC1CCN(C(=O)C2CC[NH+](Cc3ccc(OCC(F)(F)F)cc3)CC2)CC1 ZINC000056495011 823159231 /nfs/dbraw/zinc/15/92/31/823159231.db2.gz OIFLDZGWLHMQPZ-UHFFFAOYSA-N 1 0 398.469 4.098 20 0 GIADRO C[C@H]1CN(c2ccccc2C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)CCO1 ZINC000459307519 823159389 /nfs/dbraw/zinc/15/93/89/823159389.db2.gz OEZZDXHVMDOVEL-AZUAARDMSA-N 1 0 386.561 4.154 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)N1CC2(CCC2)[C@H]2COC[C@@H]21)C1CCCCC1 ZINC000459314193 823159907 /nfs/dbraw/zinc/15/99/07/823159907.db2.gz QGCMTNCEUDEBEE-UNMCSNQZSA-N 1 0 397.563 4.484 20 0 GIADRO CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CC[C@H](C[NH+](CC)CC)C1 ZINC000571300181 823162047 /nfs/dbraw/zinc/16/20/47/823162047.db2.gz HXDXSWCWXLSWLE-QZTJIDSGSA-N 1 0 384.486 4.464 20 0 GIADRO C[C@@H]1CC[C@@](CO)([N@H+](C)Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000187957118 823163511 /nfs/dbraw/zinc/16/35/11/823163511.db2.gz RJRMOSGUGKNQOQ-FZKQIMNGSA-N 1 0 379.298 4.087 20 0 GIADRO C[C@H]1CN(c2ccccc2C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)CCO1 ZINC000459334690 823163514 /nfs/dbraw/zinc/16/35/14/823163514.db2.gz ABIZCMBIPDPGMP-ZDUSSCGKSA-N 1 0 396.375 4.228 20 0 GIADRO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]C[C@@H](CO)c1ccccc1Cl ZINC000571318043 823164482 /nfs/dbraw/zinc/16/44/82/823164482.db2.gz DBHQJEJOUBPSBK-INIZCTEOSA-N 1 0 387.886 4.147 20 0 GIADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC(c2cccs2)c2cccs2)C1 ZINC000121336187 823165550 /nfs/dbraw/zinc/16/55/50/823165550.db2.gz HHLIDAPKQBSMGH-HNNXBMFYSA-N 1 0 377.579 4.176 20 0 GIADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC(c2cccs2)c2cccs2)C1 ZINC000121336011 823165570 /nfs/dbraw/zinc/16/55/70/823165570.db2.gz HHLIDAPKQBSMGH-OAHLLOKOSA-N 1 0 377.579 4.176 20 0 GIADRO COc1ccc(C(C)(C)C[NH2+][C@H](c2ncc[nH]2)c2ccc(F)cc2)cc1OC ZINC000187978192 823166706 /nfs/dbraw/zinc/16/67/06/823166706.db2.gz UQUWFDWAMRPXJO-FQEVSTJZSA-N 1 0 383.467 4.223 20 0 GIADRO CC(C)c1scnc1C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000571334413 823166759 /nfs/dbraw/zinc/16/67/59/823166759.db2.gz COPPFRVOOKECTA-QFIPXVFZSA-N 1 0 383.561 4.395 20 0 GIADRO COc1cc(C)ccc1Oc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1F ZINC000056551822 823167552 /nfs/dbraw/zinc/16/75/52/823167552.db2.gz DZHVNUKUBYWUJE-UHFFFAOYSA-N 1 0 387.455 4.151 20 0 GIADRO COc1ccc(-c2ccccc2C)cc1C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000459360459 823171680 /nfs/dbraw/zinc/17/16/80/823171680.db2.gz OHBUEGWCNMEWKP-UHFFFAOYSA-N 1 0 376.504 4.174 20 0 GIADRO C[C@@H]1CN(c2ccccc2CNc2ccc(CC[NH+]3CCCC3)cc2)CCO1 ZINC000459349737 823167900 /nfs/dbraw/zinc/16/79/00/823167900.db2.gz OAKPRKOWCBLCQD-HXUWFJFHSA-N 1 0 379.548 4.162 20 0 GIADRO Cc1oc(-c2ccccc2)c(C(=O)NC2CC[NH+](CCOC(C)C)CC2)c1C ZINC000187991035 823167936 /nfs/dbraw/zinc/16/79/36/823167936.db2.gz RBFDTIQPOAXECB-UHFFFAOYSA-N 1 0 384.520 4.183 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@H]1CCc2c1cccc2Cl ZINC000056553216 823167940 /nfs/dbraw/zinc/16/79/40/823167940.db2.gz IGVVSXHYJXTHCV-NRFANRHFSA-N 1 0 398.938 4.209 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(N(C)C(=O)OC)cc1)c1ccccc1 ZINC000056554525 823168195 /nfs/dbraw/zinc/16/81/95/823168195.db2.gz VTDGIEUWSKCKIW-FQEVSTJZSA-N 1 0 398.507 4.094 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1cccc(N2CCCCC2)c1)c1cccc(F)c1 ZINC000056554085 823168203 /nfs/dbraw/zinc/16/82/03/823168203.db2.gz RONITCMJVJUTQI-OAQYLSRUSA-N 1 0 384.499 4.240 20 0 GIADRO COc1cc(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)c(OC)cc1Cl ZINC000176269531 823168498 /nfs/dbraw/zinc/16/84/98/823168498.db2.gz PAWBOBLNCRMKKX-UHFFFAOYSA-N 1 0 395.931 4.276 20 0 GIADRO C[C@@H]([NH2+]CCN1CCc2c(Cl)cccc2C1)c1ccc(N2CCOC2=O)cc1 ZINC000187997962 823169182 /nfs/dbraw/zinc/16/91/82/823169182.db2.gz ACFAOWYWGGOAKY-MRXNPFEDSA-N 1 0 399.922 4.006 20 0 GIADRO CCc1nnc(-c2ccc(NC(=O)N[C@H](C)[C@H](c3ccccc3)[NH+](C)C)cc2)o1 ZINC000571353756 823169751 /nfs/dbraw/zinc/16/97/51/823169751.db2.gz XGKNJYYJTNKLMP-FOIQADDNSA-N 1 0 393.491 4.112 20 0 GIADRO O=C(Nc1cccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1)c1cccc(F)c1 ZINC000121357486 823169967 /nfs/dbraw/zinc/16/99/67/823169967.db2.gz YHVZWTSNPXTLQM-NJYVYQBISA-N 1 0 380.463 4.125 20 0 GIADRO CC(C)OC1CCC(NC(=O)NCc2ccccc2C[N@H+](C)C(C)C)CC1 ZINC000121360130 823170111 /nfs/dbraw/zinc/17/01/11/823170111.db2.gz LCFMROGJLDSCMD-UHFFFAOYSA-N 1 0 375.557 4.062 20 0 GIADRO C[C@H]([NH2+][C@H]1CCc2c1cc(F)cc2F)c1cc(F)ccc1N1CCC(O)CC1 ZINC000121360338 823170281 /nfs/dbraw/zinc/17/02/81/823170281.db2.gz HHPMPPBOCPHSOC-ZSEKCTLFSA-N 1 0 390.449 4.403 20 0 GIADRO C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+][C@H]1CCN(Cc2ccccc2)C1=O ZINC000571359007 823170488 /nfs/dbraw/zinc/17/04/88/823170488.db2.gz DKKXRWUTAAFPIR-WNJRYGEDSA-N 1 0 388.433 4.499 20 0 GIADRO CC(C)[C@H](CNCc1cn(C2CCCC2)nc1-c1ccccn1)[NH+]1CCCC1 ZINC000459358019 823170792 /nfs/dbraw/zinc/17/07/92/823170792.db2.gz ASGLQAFLYYUOPE-QFIPXVFZSA-N 1 0 381.568 4.270 20 0 GIADRO C[C@H](NC(=O)Nc1ccccc1O[C@@H](C)C(F)(F)F)C(C)(C)C[NH+](C)C ZINC000571361502 823171059 /nfs/dbraw/zinc/17/10/59/823171059.db2.gz WVUNDCRTFSSURP-STQMWFEESA-N 1 0 375.435 4.114 20 0 GIADRO Cn1ccnc1Sc1ccccc1NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000176281756 823171418 /nfs/dbraw/zinc/17/14/18/823171418.db2.gz ROMOXFNIXYVAMV-MRXNPFEDSA-N 1 0 384.549 4.164 20 0 GIADRO CCCC[C@@H](C)[N@H+](C)CC(=O)Nc1nc(-c2ccc(OC)cc2OC)cs1 ZINC000571366948 823172336 /nfs/dbraw/zinc/17/23/36/823172336.db2.gz XFAVWYGOMVWGQN-CQSZACIVSA-N 1 0 391.537 4.276 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1ccc(N(C)C(=O)OC)cc1 ZINC000056578257 823173891 /nfs/dbraw/zinc/17/38/91/823173891.db2.gz KMCWYSOWIGGKFV-UHFFFAOYSA-N 1 0 398.507 4.053 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)Nc2ccc(N(C)C(=O)OC)cc2)cc1 ZINC000056577745 823173970 /nfs/dbraw/zinc/17/39/70/823173970.db2.gz KKSORBZOPDEDGR-UHFFFAOYSA-N 1 0 398.507 4.053 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@@H]1c1ccccn1)c1cccc(OC)c1 ZINC000056582567 823174461 /nfs/dbraw/zinc/17/44/61/823174461.db2.gz KVXAUXOFNIHZKN-FGZHOGPDSA-N 1 0 396.535 4.020 20 0 GIADRO Cc1nc2scc(C3CC3)n2c1C[NH2+]Cc1ccnc(OCC(F)(F)F)c1 ZINC000459370061 823174498 /nfs/dbraw/zinc/17/44/98/823174498.db2.gz GYTAOAIPJXXWFD-UHFFFAOYSA-N 1 0 396.438 4.208 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(NC(=O)c3ccc(F)cc3)c2)[C@@H]1SC ZINC000459369097 823174527 /nfs/dbraw/zinc/17/45/27/823174527.db2.gz HCUMTTJVYJLNOR-ZCNNSNEGSA-N 1 0 388.508 4.077 20 0 GIADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(NC(=O)c3ccc(F)cc3)c2)[C@@H]1SC ZINC000459369093 823174561 /nfs/dbraw/zinc/17/45/61/823174561.db2.gz HCUMTTJVYJLNOR-AQNXPRMDSA-N 1 0 388.508 4.077 20 0 GIADRO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+][C@H](C)c2cccc(Cl)c2)c1 ZINC000121385257 823174931 /nfs/dbraw/zinc/17/49/31/823174931.db2.gz FLKCWLVOMWUABR-ZIAGYGMSSA-N 1 0 376.884 4.425 20 0 GIADRO CCOc1cc(CCC[NH2+][C@@H](c2ncc[nH]2)c2ccc(F)cc2)ccc1OC ZINC000188038384 823175413 /nfs/dbraw/zinc/17/54/13/823175413.db2.gz NLGDSPMZSZVTSR-OAQYLSRUSA-N 1 0 383.467 4.268 20 0 GIADRO Cc1c2cc(Cl)ccc2sc1CNC(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000571385834 823175493 /nfs/dbraw/zinc/17/54/93/823175493.db2.gz DFMUTOQFLGOXLO-CQSZACIVSA-N 1 0 379.957 4.393 20 0 GIADRO C[C@@H](C(=O)NCc1ccc(OCCC[NH+](C)C)cc1)c1cc2ccccc2o1 ZINC000176298105 823175742 /nfs/dbraw/zinc/17/57/42/823175742.db2.gz IFHXVAQDAAANBJ-QGZVFWFLSA-N 1 0 380.488 4.183 20 0 GIADRO O=C(Nc1cccc(NC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)c1)C1CC1 ZINC000056589670 823175778 /nfs/dbraw/zinc/17/57/78/823175778.db2.gz UKWKXTJTBRPAFP-UHFFFAOYSA-N 1 0 398.551 4.155 20 0 GIADRO O=C(N[C@@H]1CCC[N@H+](Cc2cc3cccnc3o2)C1)c1ccc2ccccc2c1 ZINC000571392016 823176500 /nfs/dbraw/zinc/17/65/00/823176500.db2.gz PTECYZHAMJLCJP-OAQYLSRUSA-N 1 0 385.467 4.375 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCCNCc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459375902 823176573 /nfs/dbraw/zinc/17/65/73/823176573.db2.gz KRFVDESCOLAKIE-LJQANCHMSA-N 1 0 381.568 4.414 20 0 GIADRO C[C@H](C[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1)N1CCC[C@@H](C)C1 ZINC000459377607 823176796 /nfs/dbraw/zinc/17/67/96/823176796.db2.gz PFBXUKMJYNIZHI-RTBURBONSA-N 1 0 381.568 4.270 20 0 GIADRO CC(C)n1cnnc1-c1ccccc1NC(=O)NCCC[NH+](C(C)C)C(C)C ZINC000176306976 823177804 /nfs/dbraw/zinc/17/78/04/823177804.db2.gz AHZFMBVQBXHSIH-UHFFFAOYSA-N 1 0 386.544 4.156 20 0 GIADRO Oc1cccc(CNC2CC[NH+](Cc3ccc(F)cc3)CC2)c1Br ZINC000459379522 823177958 /nfs/dbraw/zinc/17/79/58/823177958.db2.gz AJUHQMIVZUFPTI-UHFFFAOYSA-N 1 0 393.300 4.048 20 0 GIADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(NC(=O)c3ccc(C)cc3)c2)[C@@H]1SC ZINC000459381528 823178290 /nfs/dbraw/zinc/17/82/90/823178290.db2.gz CKCKHNFODAEZKP-NJYVYQBISA-N 1 0 384.545 4.246 20 0 GIADRO Clc1cccc(C2(C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCCC4)CCOCC2)c1 ZINC000121407197 823179117 /nfs/dbraw/zinc/17/91/17/823179117.db2.gz TWCBPRCLOOKFLR-ZCNNSNEGSA-N 1 0 375.940 4.326 20 0 GIADRO CCCN(CC[NH+]1CCCCC1)C(=O)c1csc(-c2ccccc2F)n1 ZINC000571411298 823179214 /nfs/dbraw/zinc/17/92/14/823179214.db2.gz WVTILTLZNGNJNB-UHFFFAOYSA-N 1 0 375.513 4.287 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)Cc2cn(C3CCCC3)nc2-c2ccccn2)C[C@H]1C ZINC000459384845 823179269 /nfs/dbraw/zinc/17/92/69/823179269.db2.gz YEAQHYSEJYKAHA-NQIIRXRSSA-N 1 0 381.568 4.365 20 0 GIADRO Cc1cccc([C@@H](C)CNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)c1 ZINC000176312049 823179314 /nfs/dbraw/zinc/17/93/14/823179314.db2.gz RGDDYDLQZAYBHB-FQEVSTJZSA-N 1 0 379.548 4.405 20 0 GIADRO CCN(CCC[NH+](CC)CC)C(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1 ZINC000188057592 823179494 /nfs/dbraw/zinc/17/94/94/823179494.db2.gz WVGZQFLMYNBNRT-UHFFFAOYSA-N 1 0 395.547 4.441 20 0 GIADRO CC(C)(C)[NH+]1CCC(NCc2cn(C3CCCC3)nc2-c2ccccn2)CC1 ZINC000459385426 823179548 /nfs/dbraw/zinc/17/95/48/823179548.db2.gz HQLZOHDXOJTPBJ-UHFFFAOYSA-N 1 0 381.568 4.413 20 0 GIADRO CC[NH+](CC)C[C@H]1CCN(Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000459385513 823179646 /nfs/dbraw/zinc/17/96/46/823179646.db2.gz YPVVHGAPFWYXRX-LJQANCHMSA-N 1 0 381.568 4.224 20 0 GIADRO CCCc1c(NC(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)cnn1-c1ccccc1 ZINC000571415203 823179803 /nfs/dbraw/zinc/17/98/03/823179803.db2.gz PJPNOUVEQIRFBK-OAQYLSRUSA-N 1 0 395.551 4.067 20 0 GIADRO C[C@H]([NH2+]C1(CN[C@H]2CCc3c2cc(F)cc3F)CCOCC1)c1ccccc1 ZINC000121411708 823179952 /nfs/dbraw/zinc/17/99/52/823179952.db2.gz CHSMUSLYGNOQLE-AOMKIAJQSA-N 1 0 386.486 4.442 20 0 GIADRO CCN(C(=O)NCc1noc2ccccc12)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000571417885 823180022 /nfs/dbraw/zinc/18/00/22/823180022.db2.gz VCTGUIBRDITTGU-HKUYNNGSSA-N 1 0 392.503 4.195 20 0 GIADRO COc1cc([C@@H](C)[NH2+]Cc2cc(=O)[nH]c(-c3ccccc3)n2)ccc1OC(C)C ZINC000459388831 823180486 /nfs/dbraw/zinc/18/04/86/823180486.db2.gz GOKMGHXFAWNRCU-MRXNPFEDSA-N 1 0 393.487 4.496 20 0 GIADRO CCOc1ccccc1Oc1ccc(C[NH2+][C@@H]2C[C@H](OCC)[C@@H]2SC)cn1 ZINC000459388240 823180533 /nfs/dbraw/zinc/18/05/33/823180533.db2.gz KLDJMPCYVKMOEB-LKUPVBHCSA-N 1 0 388.533 4.271 20 0 GIADRO CC(C)Oc1ccc(NC(=O)NCC[C@H]2CCC[N@H+](C)C2)c(C(F)(F)F)c1 ZINC000459390127 823180899 /nfs/dbraw/zinc/18/08/99/823180899.db2.gz ORWQHHFDVAZZJO-CQSZACIVSA-N 1 0 387.446 4.346 20 0 GIADRO CC(C)n1ncc2cc(NC(=O)N3CCC[N@H+](CC4CCCCC4)CC3)cnc21 ZINC000056614471 823181418 /nfs/dbraw/zinc/18/14/18/823181418.db2.gz OTMJFSKBXVAMFJ-UHFFFAOYSA-N 1 0 398.555 4.132 20 0 GIADRO CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2ccccc2N2CCO[C@H](C)C2)c1 ZINC000459393102 823181758 /nfs/dbraw/zinc/18/17/58/823181758.db2.gz LZBWLRHXHJRTBU-HXUWFJFHSA-N 1 0 381.564 4.042 20 0 GIADRO Cc1ccc(-c2nc(CC[NH2+]Cc3ccccc3N3CCO[C@H](C)C3)co2)cc1 ZINC000459393256 823181762 /nfs/dbraw/zinc/18/17/62/823181762.db2.gz FKJFYYGGASUECZ-LJQANCHMSA-N 1 0 391.515 4.207 20 0 GIADRO Cc1ccc(-n2cc(C(=O)NC3CC[NH+](C(C)C)CC3)c(C(C)(C)C)n2)cc1 ZINC000121424467 823181940 /nfs/dbraw/zinc/18/19/40/823181940.db2.gz WLIPQKFKOGFYPS-UHFFFAOYSA-N 1 0 382.552 4.081 20 0 GIADRO CC(C)n1ncc2ccc(NC(=O)N(CC[NH+](C)C)Cc3ccsc3)cc21 ZINC000459394483 823182057 /nfs/dbraw/zinc/18/20/57/823182057.db2.gz UJRZQNRZLPCMIW-UHFFFAOYSA-N 1 0 385.537 4.274 20 0 GIADRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)c1ccc(Br)c(F)c1)c1ccco1 ZINC000571434751 823182253 /nfs/dbraw/zinc/18/22/53/823182253.db2.gz JHSFADGEKSYZOT-ABAIWWIYSA-N 1 0 383.261 4.040 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1c(Cl)cccc1Cl ZINC000176331680 823184355 /nfs/dbraw/zinc/18/43/55/823184355.db2.gz AWDSIVAHXLDAIQ-DYVFJYSZSA-N 1 0 378.303 4.029 20 0 GIADRO CC(C)n1cnnc1-c1ccccc1NC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000176336742 823185857 /nfs/dbraw/zinc/18/58/57/823185857.db2.gz LRIUZHCMVWFVNE-KRWDZBQOSA-N 1 0 398.536 4.012 20 0 GIADRO CCc1nc2n(n1)C[C@@H]([NH2+]C/C=C\c1ccc(OCc3ccccc3)cc1)CC2 ZINC000459406614 823185929 /nfs/dbraw/zinc/18/59/29/823185929.db2.gz USOGCTHCMGTMLF-AVKJRPAMSA-N 1 0 388.515 4.037 20 0 GIADRO CCOc1cc(C[NH2+]CCCCc2nc(C)cs2)cc(Br)c1O ZINC000459406864 823186193 /nfs/dbraw/zinc/18/61/93/823186193.db2.gz OUGIMYZJHDQHOD-UHFFFAOYSA-N 1 0 399.354 4.431 20 0 GIADRO C[NH+](C)CCN(Cc1cccs1)C(=O)N[C@@H]1CCSc2ccccc21 ZINC000176347238 823188825 /nfs/dbraw/zinc/18/88/25/823188825.db2.gz QQTPRWCZVMSPLR-QGZVFWFLSA-N 1 0 375.563 4.058 20 0 GIADRO CCOC[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000176340267 823186607 /nfs/dbraw/zinc/18/66/07/823186607.db2.gz XDBHMXZDYMWKTN-RYUDHWBXSA-N 1 0 378.822 4.044 20 0 GIADRO Cc1ccc([C@@H]2OCCC[C@H]2C[NH2+]Cc2ccccc2N2CCO[C@H](C)C2)cc1 ZINC000459410306 823186777 /nfs/dbraw/zinc/18/67/77/823186777.db2.gz CGWXDLGAAOKZSQ-PBXXJUDPSA-N 1 0 394.559 4.478 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)N([C@H](C)c2ccco2)C2CC2)CC1 ZINC000121452631 823187221 /nfs/dbraw/zinc/18/72/21/823187221.db2.gz XFLWBLPCZCPKJD-GOSISDBHSA-N 1 0 381.520 4.488 20 0 GIADRO Brc1ccccc1SCCCC[NH2+]Cc1cn2cccnc2n1 ZINC000459412628 823187361 /nfs/dbraw/zinc/18/73/61/823187361.db2.gz NDLXLLKMCJAFRG-UHFFFAOYSA-N 1 0 391.338 4.154 20 0 GIADRO CCOc1cc(C[NH2+][C@@H](COC)c2ccc(F)cc2)cc(Br)c1O ZINC000459422188 823189188 /nfs/dbraw/zinc/18/91/88/823189188.db2.gz NDSWJBUVLAGUTJ-INIZCTEOSA-N 1 0 398.272 4.170 20 0 GIADRO CSc1cc(C(=O)N2CCN(c3cc[nH+]c4ccccc43)CC2)ccc1F ZINC000571482530 823189656 /nfs/dbraw/zinc/18/96/56/823189656.db2.gz CLYVDDKSGPPMHR-UHFFFAOYSA-N 1 0 381.476 4.058 20 0 GIADRO c1c(C[NH2+]CCOCc2ccccc2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459433607 823191286 /nfs/dbraw/zinc/19/12/86/823191286.db2.gz SXRONKKXWHYZJA-UHFFFAOYSA-N 1 0 376.504 4.367 20 0 GIADRO CCCCCn1nc(C)cc1NC(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000459436870 823191876 /nfs/dbraw/zinc/19/18/76/823191876.db2.gz YPJQTCCXXFFLNT-UHFFFAOYSA-N 1 0 377.558 4.039 20 0 GIADRO CCOc1cc(C[NH2+][C@H]2CCc3c2cccc3OC)cc(Br)c1O ZINC000459437020 823192042 /nfs/dbraw/zinc/19/20/42/823192042.db2.gz GINWYQXFJXZXBU-INIZCTEOSA-N 1 0 392.293 4.339 20 0 GIADRO Cc1cc(NC(=O)N[C@@H]2CC[C@@H](c3cccc(F)c3)C2)n(C2CC[NH+](C)CC2)n1 ZINC000571498291 823192628 /nfs/dbraw/zinc/19/26/28/823192628.db2.gz QYHDNGMURDHCSE-IEBWSBKVSA-N 1 0 399.514 4.055 20 0 GIADRO Cc1cc(NC(=O)N[C@H]2CC[C@H](c3cccc(F)c3)C2)n(C2CC[NH+](C)CC2)n1 ZINC000571498290 823192633 /nfs/dbraw/zinc/19/26/33/823192633.db2.gz QYHDNGMURDHCSE-HKUYNNGSSA-N 1 0 399.514 4.055 20 0 GIADRO CCOc1ccc(NC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cc1F ZINC000056702231 823195740 /nfs/dbraw/zinc/19/57/40/823195740.db2.gz HQXNGCKNPPNTJX-UHFFFAOYSA-N 1 0 385.483 4.319 20 0 GIADRO CC(C)[NH+]1CCC(NC(=O)Nc2ccccc2CN2CCc3ccccc32)CC1 ZINC000056689823 823193259 /nfs/dbraw/zinc/19/32/59/823193259.db2.gz CLWMMZNTJQUEPW-UHFFFAOYSA-N 1 0 392.547 4.244 20 0 GIADRO CC(=O)Nc1ccc(Cl)c(NC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000056692185 823194428 /nfs/dbraw/zinc/19/44/28/823194428.db2.gz JHXQTDXAVUAWNH-AWEZNQCLSA-N 1 0 380.920 4.075 20 0 GIADRO COc1ccc([C@H](OC)[C@H](C)[NH2+]Cc2cccc(O)c2Br)cc1 ZINC000459453171 823195224 /nfs/dbraw/zinc/19/52/24/823195224.db2.gz ADAQQTSNSFXRFS-KPZWWZAWSA-N 1 0 380.282 4.029 20 0 GIADRO Cc1coc(-c2cccc(NC(=O)N(CC[NH+](C)C)Cc3ccsc3)c2)n1 ZINC000459457687 823196234 /nfs/dbraw/zinc/19/62/34/823196234.db2.gz XXSFLLFAJCSRBT-UHFFFAOYSA-N 1 0 384.505 4.307 20 0 GIADRO O=C1C[C@H](C[NH2+][C@@H](CCCc2ccccc2)c2ccc(F)cc2)CN1C1CC1 ZINC000571529595 823196239 /nfs/dbraw/zinc/19/62/39/823196239.db2.gz OLHRLEQLKAHHJY-XXBNENTESA-N 1 0 380.507 4.490 20 0 GIADRO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2c(C)cccc2C)[C@H]1Sc1ccccc1 ZINC000459458714 823196271 /nfs/dbraw/zinc/19/62/71/823196271.db2.gz FUWDRRFXJGKORB-WOIUINJBSA-N 1 0 384.545 4.170 20 0 GIADRO COc1sc(C[NH2+]CCCc2nc3ccccc3n2C)cc1Br ZINC000121506474 823196546 /nfs/dbraw/zinc/19/65/46/823196546.db2.gz HSSMWJQDSMNVGP-UHFFFAOYSA-N 1 0 394.338 4.128 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@H]2c3sccc3OC(C)(C)[C@@H]2O)ccc1OC(F)F ZINC000571531376 823196762 /nfs/dbraw/zinc/19/67/62/823196762.db2.gz RWHCBBSRTMDOCC-GLZQIGESSA-N 1 0 399.459 4.282 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2coc(-c3ccc(OC)cc3)n2)C1)CC(F)(F)F ZINC000176393605 823197565 /nfs/dbraw/zinc/19/75/65/823197565.db2.gz UQWIILOYMDLGGK-HNNXBMFYSA-N 1 0 397.441 4.056 20 0 GIADRO COc1c(F)cc(NC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)cc1F ZINC000056715370 823198038 /nfs/dbraw/zinc/19/80/38/823198038.db2.gz JHJNVBCQOZQTGS-UHFFFAOYSA-N 1 0 381.467 4.093 20 0 GIADRO Cc1cc(F)c(CNCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c(Cl)c1 ZINC000459467815 823198420 /nfs/dbraw/zinc/19/84/20/823198420.db2.gz QKZDJVLVNZSCOB-GOSISDBHSA-N 1 0 376.903 4.034 20 0 GIADRO C[NH+](C)Cc1ccnc(NCc2cn(C3CCCC3)nc2-c2ccccn2)c1 ZINC000459479002 823201200 /nfs/dbraw/zinc/20/12/00/823201200.db2.gz IUAIZGGKIKVBEP-UHFFFAOYSA-N 1 0 376.508 4.129 20 0 GIADRO C[C@@H](CCO)C1(C[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)CCC1 ZINC000459467654 823198603 /nfs/dbraw/zinc/19/86/03/823198603.db2.gz QVABCGHSLZQRRO-SFHVURJKSA-N 1 0 382.552 4.339 20 0 GIADRO Cc1cc(F)c(CNCc2ccccc2C[N@@H+]2CCC[C@H]2CO)c(Cl)c1 ZINC000459467816 823198650 /nfs/dbraw/zinc/19/86/50/823198650.db2.gz QKZDJVLVNZSCOB-SFHVURJKSA-N 1 0 376.903 4.034 20 0 GIADRO Cc1cccc(C)c1NC(=O)C[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000571545043 823198656 /nfs/dbraw/zinc/19/86/56/823198656.db2.gz PFVNIFZRZYVBLC-GHTZIAJQSA-N 1 0 389.902 4.069 20 0 GIADRO CCCCN(C)C(=O)C1CC[NH+]([C@@H](C)c2cccc(Br)c2)CC1 ZINC000121519150 823198772 /nfs/dbraw/zinc/19/87/72/823198772.db2.gz LLVMXUUYZOUCIZ-HNNXBMFYSA-N 1 0 381.358 4.481 20 0 GIADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)Nc1cc(F)c(OC)c(F)c1 ZINC000056718129 823199010 /nfs/dbraw/zinc/19/90/10/823199010.db2.gz JRYVJQWCINIXNA-UHFFFAOYSA-N 1 0 397.491 4.411 20 0 GIADRO O=C(c1ccncc1)N1CCC([NH2+][C@H]2CCC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000459474133 823199855 /nfs/dbraw/zinc/19/98/55/823199855.db2.gz YOMNFQKHKNFKGO-RTWAWAEBSA-N 1 0 383.923 4.266 20 0 GIADRO Cc1ccccc1-c1cc(NC(=O)N(CC[NH+](C)C)Cc2ccsc2)n(C)n1 ZINC000459481288 823201339 /nfs/dbraw/zinc/20/13/39/823201339.db2.gz AYPQTTURFKLXTE-UHFFFAOYSA-N 1 0 397.548 4.053 20 0 GIADRO Cc1nn(-c2ccccc2)cc1C[NH2+]Cc1c(C)nc2scc(C3CC3)n12 ZINC000459476371 823200594 /nfs/dbraw/zinc/20/05/94/823200594.db2.gz ZJJJYZLPAYPDQQ-UHFFFAOYSA-N 1 0 377.517 4.366 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N1CCC[C@@H]1c1ccccn1 ZINC000056727018 823200906 /nfs/dbraw/zinc/20/09/06/823200906.db2.gz UXISQRBOLBZAJY-JOCHJYFZSA-N 1 0 378.520 4.479 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2coc(-c3cccc(F)c3)n2)C1)CC(F)(F)F ZINC000176406431 823201501 /nfs/dbraw/zinc/20/15/01/823201501.db2.gz PKCXADPLGZAFGD-AWEZNQCLSA-N 1 0 385.405 4.187 20 0 GIADRO Cc1nc(-c2cccc(NC(=O)NC[C@H](c3cccs3)[NH+](C)C)c2)oc1C ZINC000056730560 823201859 /nfs/dbraw/zinc/20/18/59/823201859.db2.gz JEMWNACTMRPTPT-QGZVFWFLSA-N 1 0 384.505 4.444 20 0 GIADRO CCC(CC)(C[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1)C(=O)OC ZINC000459483772 823201922 /nfs/dbraw/zinc/20/19/22/823201922.db2.gz PJHILOZMIZNVPJ-UHFFFAOYSA-N 1 0 384.524 4.129 20 0 GIADRO CCS[C@H]1CCC[C@@H](NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)C1 ZINC000176417673 823203867 /nfs/dbraw/zinc/20/38/67/823203867.db2.gz RTXHPVMMQOMTPD-CTNGQTDRSA-N 1 0 389.609 4.357 20 0 GIADRO Fc1cccc(CC2([NH2+]Cc3ccc(OC[C@H]4CCCO4)cc3)CCOCC2)c1 ZINC000571584766 823204112 /nfs/dbraw/zinc/20/41/12/823204112.db2.gz LJOCZKFFHPPAJK-HSZRJFAPSA-N 1 0 399.506 4.265 20 0 GIADRO Clc1ccc(OC[C@@H]2CCOC2)c(NC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000459496090 823204145 /nfs/dbraw/zinc/20/41/45/823204145.db2.gz GLKPAMZTKDYJJS-MRXNPFEDSA-N 1 0 387.911 4.231 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2C[C@@H]2c2cc(OC)ccc2OC)c1 ZINC000188217937 823204763 /nfs/dbraw/zinc/20/47/63/823204763.db2.gz QHIUHOSBXOAVRX-TZIWHRDSSA-N 1 0 382.504 4.288 20 0 GIADRO CO[C@H](CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)c1cccc(Cl)c1 ZINC000176424740 823205112 /nfs/dbraw/zinc/20/51/12/823205112.db2.gz HLWUQHBAGQJYFK-HXUWFJFHSA-N 1 0 393.959 4.124 20 0 GIADRO CCOc1cc(C[NH2+]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)cc(Cl)c1O ZINC000459503752 823206026 /nfs/dbraw/zinc/20/60/26/823206026.db2.gz FSQPFNMGNQUFKU-LRDDRELGSA-N 1 0 381.822 4.018 20 0 GIADRO CCN(Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000188238337 823207869 /nfs/dbraw/zinc/20/78/69/823207869.db2.gz CRMXESNRQMEHBE-FCHUYYIVSA-N 1 0 376.504 4.145 20 0 GIADRO CCOc1ccc(NC(=O)c2ccc(NC(=O)CCCC[NH+](C)C)cc2)cc1 ZINC000571607811 823207947 /nfs/dbraw/zinc/20/79/47/823207947.db2.gz VDJDACJQWBPZAQ-UHFFFAOYSA-N 1 0 383.492 4.008 20 0 GIADRO Cc1cc(N2CCC(C(=O)NCc3ccc(F)cc3)CC2)c2cc(F)ccc2[nH+]1 ZINC000121590800 823212201 /nfs/dbraw/zinc/21/22/01/823212201.db2.gz QBKBDFHVTURJGA-UHFFFAOYSA-N 1 0 395.453 4.354 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cnn(C(C)C)c3C2)[C@H]1Sc1ccccc1 ZINC000459515242 823208835 /nfs/dbraw/zinc/20/88/35/823208835.db2.gz GXVFKHKGBVJMJV-HGIWEUDGSA-N 1 0 385.577 4.249 20 0 GIADRO CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 ZINC000056764849 823209322 /nfs/dbraw/zinc/20/93/22/823209322.db2.gz HCIWXQAWCZUJMW-CYBMUJFWSA-N 1 0 392.887 4.037 20 0 GIADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)N[C@H]1CCc2cc(F)ccc21 ZINC000176447108 823209704 /nfs/dbraw/zinc/20/97/04/823209704.db2.gz QSEVYSCNYPFUMQ-KRWDZBQOSA-N 1 0 389.437 4.119 20 0 GIADRO Cc1c(F)cccc1-c1ccc(C[NH2+][C@@H]2CCCN(CC(F)(F)F)C2=O)o1 ZINC000121581052 823210297 /nfs/dbraw/zinc/21/02/97/823210297.db2.gz CGKVUGPOTHSZEO-MRXNPFEDSA-N 1 0 384.373 4.037 20 0 GIADRO CCOc1ccc([C@H](COC)[NH2+]Cc2c(C)nc3scc(C4CC4)n23)cc1 ZINC000459527179 823211814 /nfs/dbraw/zinc/21/18/14/823211814.db2.gz PFMXZEUBFJJSSW-SFHVURJKSA-N 1 0 385.533 4.458 20 0 GIADRO O=C(C[C@H](c1ncc[nH]1)c1ccccc1)N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000571635862 823213004 /nfs/dbraw/zinc/21/30/04/823213004.db2.gz VPVXFXBXWSKWGR-VDGAXYAQSA-N 1 0 381.426 4.272 20 0 GIADRO CC(C)CNC(=O)c1cccc(C[NH+]2CCC3(CC2)OCCc2ccccc23)c1 ZINC000459531698 823213079 /nfs/dbraw/zinc/21/30/79/823213079.db2.gz TVDVEWQJIYTLCM-UHFFFAOYSA-N 1 0 392.543 4.136 20 0 GIADRO CCc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000459533459 823213605 /nfs/dbraw/zinc/21/36/05/823213605.db2.gz VQWFQIHQIRFFKA-GOSISDBHSA-N 1 0 378.516 4.140 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)[C@H](C)c3nc(C(C)(C)C)no3)C2)s1 ZINC000571645821 823213939 /nfs/dbraw/zinc/21/39/39/823213939.db2.gz ISQWZPRFVUDXOA-CVEARBPZSA-N 1 0 376.570 4.252 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)[C@H](C)c3nc(C(C)(C)C)no3)C2)s1 ZINC000571645824 823213987 /nfs/dbraw/zinc/21/39/87/823213987.db2.gz ISQWZPRFVUDXOA-HZPDHXFCSA-N 1 0 376.570 4.252 20 0 GIADRO COc1ccc(C[C@H](C)C[NH2+][C@@H](c2ncc[nH]2)c2ccc(F)cc2)cc1OC ZINC000188285853 823214405 /nfs/dbraw/zinc/21/44/05/823214405.db2.gz RGDICGUVDLCIIM-YCRPNKLZSA-N 1 0 383.467 4.124 20 0 GIADRO C[C@H]([NH2+]C(C)(C)CNC(=O)Nc1ccc(-c2nncs2)cc1)c1ccccc1 ZINC000459536812 823214693 /nfs/dbraw/zinc/21/46/93/823214693.db2.gz CASRHYDVKDONAN-HNNXBMFYSA-N 1 0 395.532 4.456 20 0 GIADRO Cc1noc([C@@H]2CC[N@H+](C/C=C/c3ccc(OCc4ccccc4)cc3)C2)n1 ZINC000459538188 823214962 /nfs/dbraw/zinc/21/49/62/823214962.db2.gz SKTXJDCQIYZELB-WKOQKXSESA-N 1 0 375.472 4.460 20 0 GIADRO Cc1noc([C@H]2CC[N@H+](C/C=C/c3ccc(OCc4ccccc4)cc3)C2)n1 ZINC000459538183 823214983 /nfs/dbraw/zinc/21/49/83/823214983.db2.gz SKTXJDCQIYZELB-FERLCFGISA-N 1 0 375.472 4.460 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)NCCCSc2ccc(F)cc2)CC1 ZINC000056792641 823215022 /nfs/dbraw/zinc/21/50/22/823215022.db2.gz QDPTYGAMFXXBNJ-UHFFFAOYSA-N 1 0 381.561 4.070 20 0 GIADRO OCC1([C@@H]([NH2+]Cc2cncn2Cc2ccccc2)c2ccccc2)CCCC1 ZINC000459539505 823215595 /nfs/dbraw/zinc/21/55/95/823215595.db2.gz KEIINNFZESICOC-QHCPKHFHSA-N 1 0 375.516 4.315 20 0 GIADRO Oc1cccc(C[N@@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)c1Br ZINC000459539556 823215655 /nfs/dbraw/zinc/21/56/55/823215655.db2.gz WEWBFOXXKDSJRJ-OAHLLOKOSA-N 1 0 390.325 4.067 20 0 GIADRO COCC(C)(C)CCCNC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000571668803 823216732 /nfs/dbraw/zinc/21/67/32/823216732.db2.gz WSZWTHFAVDZPKU-LJQANCHMSA-N 1 0 395.975 4.229 20 0 GIADRO OCC1([C@@H](NCc2nc(-c3ccccc3F)no2)c2ccccc2)CCCC1 ZINC000459545309 823216953 /nfs/dbraw/zinc/21/69/53/823216953.db2.gz PJGOVPFKCSQJSY-FQEVSTJZSA-N 1 0 381.451 4.259 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCC1)N1CCC[C@@H]1c1cccc(F)c1 ZINC000056813591 823218358 /nfs/dbraw/zinc/21/83/58/823218358.db2.gz TYYUPAIAILBHOQ-JOCHJYFZSA-N 1 0 381.495 4.468 20 0 GIADRO Cc1cnc([C@H](C)NC(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)s1 ZINC000176478796 823217130 /nfs/dbraw/zinc/21/71/30/823217130.db2.gz RNWWVKHWFNUPQV-KRWDZBQOSA-N 1 0 386.565 4.244 20 0 GIADRO O[C@H](C[NH2+]Cc1nc2ccccc2n1C1CC1)COc1ccc2ccccc2c1 ZINC000571672551 823217369 /nfs/dbraw/zinc/21/73/69/823217369.db2.gz YKSQETOVTZTTLT-HXUWFJFHSA-N 1 0 387.483 4.054 20 0 GIADRO O=C(CCCC1CCOCC1)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000409455718 823222972 /nfs/dbraw/zinc/22/29/72/823222972.db2.gz YRUAZWXWDFNRQN-HXUWFJFHSA-N 1 0 378.944 4.190 20 0 GIADRO COc1ccc(-c2ccccc2C)cc1C[NH2+][C@H]1CCO[C@H](c2nccn2C)C1 ZINC000459556933 823219881 /nfs/dbraw/zinc/21/98/81/823219881.db2.gz BWRMWHFCEWNLJZ-REWPJTCUSA-N 1 0 391.515 4.414 20 0 GIADRO CC[C@]1(C[NH2+][C@H](C)c2ccc(NC(C)=O)cc2OC)OCCc2ccccc21 ZINC000571694738 823220197 /nfs/dbraw/zinc/22/01/97/823220197.db2.gz MHQNBOJZICWUKR-WAIKUNEKSA-N 1 0 382.504 4.182 20 0 GIADRO CC1(C)C[N@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)[C@H]1[C@@H]1CCCO1 ZINC000459562881 823220761 /nfs/dbraw/zinc/22/07/61/823220761.db2.gz NQVOJUFHAVCFHC-UNMCSNQZSA-N 1 0 380.536 4.450 20 0 GIADRO COc1ccccc1CN(C(=O)NC1CC[NH+](C2CCCCC2)CC1)C1CC1 ZINC000176494483 823220774 /nfs/dbraw/zinc/22/07/74/823220774.db2.gz JUZDZRYTAQZOPF-UHFFFAOYSA-N 1 0 385.552 4.166 20 0 GIADRO CC1(C)C[N@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)[C@@H]1[C@H]1CCCO1 ZINC000459562239 823220898 /nfs/dbraw/zinc/22/08/98/823220898.db2.gz NQVOJUFHAVCFHC-IFMALSPDSA-N 1 0 380.536 4.450 20 0 GIADRO C[C@@H]1C[C@H]1[N@@H+]1CCN(Cc2cn(C3CCCC3)nc2-c2ccccn2)C[C@@H](C)C1 ZINC000459563781 823221225 /nfs/dbraw/zinc/22/12/25/823221225.db2.gz VKNZFVYXUDBMLH-DNVFCKCGSA-N 1 0 393.579 4.222 20 0 GIADRO CC(C)c1cc(C(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)nn1C(C)(C)C ZINC000409450981 823221302 /nfs/dbraw/zinc/22/13/02/823221302.db2.gz CQUUEACVCQNJJU-HKUYNNGSSA-N 1 0 382.552 4.327 20 0 GIADRO COc1ccc(-c2ccccc2C)cc1C[NH2+][C@H]1CCO[C@H](c2ccnn2C)C1 ZINC000459563655 823221329 /nfs/dbraw/zinc/22/13/29/823221329.db2.gz DQZQPMZJVFUHEU-RDPSFJRHSA-N 1 0 391.515 4.414 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1CCC[C@@H]1c1cccc(F)c1 ZINC000056848181 823223131 /nfs/dbraw/zinc/22/31/31/823223131.db2.gz PYWIMADJRZYBMB-JOCHJYFZSA-N 1 0 381.495 4.468 20 0 GIADRO C[C@@H]1CN(c2ccccc2C[NH2+]Cc2c(Cl)cccc2-n2ccnc2)CCO1 ZINC000459568980 823222407 /nfs/dbraw/zinc/22/24/07/823222407.db2.gz LHTNOUKEVNRJOG-QGZVFWFLSA-N 1 0 396.922 4.041 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@@H](c3ccncc3)C2)[C@H]1Sc1ccccc1 ZINC000459570955 823222747 /nfs/dbraw/zinc/22/27/47/823222747.db2.gz NHQOIQICWMFWFQ-SGCGGLILSA-N 1 0 384.545 4.230 20 0 GIADRO Cc1cc(C)c(Br)c(C(=O)NCc2ccccc2C[NH+](C)C)c1 ZINC000121628460 823218794 /nfs/dbraw/zinc/21/87/94/823218794.db2.gz NZIZUPYMWPMABB-UHFFFAOYSA-N 1 0 375.310 4.058 20 0 GIADRO CN(C)c1cccc([C@H]2CCCN2C(=O)NC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000176485755 823218746 /nfs/dbraw/zinc/21/87/46/823218746.db2.gz CAPJSJAONKPMJV-HSZRJFAPSA-N 1 0 398.595 4.396 20 0 GIADRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cccc(OCc4ccccc4)c3)[C@@H]2C1 ZINC000571717633 823223764 /nfs/dbraw/zinc/22/37/64/823223764.db2.gz FHGJWTWTXCNEEP-QPTUXGOLSA-N 1 0 378.516 4.002 20 0 GIADRO CC[NH+](CC)CCOc1ccc(NC(=O)c2cccnc2C(F)(F)F)cc1 ZINC000188350183 823223773 /nfs/dbraw/zinc/22/37/73/823223773.db2.gz NKNVLCPBVSRXQI-UHFFFAOYSA-N 1 0 381.398 4.073 20 0 GIADRO COc1ccc(-c2ccccc2C)cc1C[NH2+][C@@H]1CCC[C@@H]2CN(C(C)=O)C[C@H]21 ZINC000459575146 823223925 /nfs/dbraw/zinc/22/39/25/823223925.db2.gz ZLXDJSYJQIFYNU-AGILITTLSA-N 1 0 392.543 4.407 20 0 GIADRO C[C@H](NC(=O)N1CCC([NH+]2CCCCC2)CC1)c1ccccc1C(F)(F)F ZINC000056853531 823224019 /nfs/dbraw/zinc/22/40/19/823224019.db2.gz JKAYUNLBAYSXNG-HNNXBMFYSA-N 1 0 383.458 4.426 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)CCCNC(=O)[C@@H]3CC=CCC3)cc2)C1 ZINC000409461174 823224739 /nfs/dbraw/zinc/22/47/39/823224739.db2.gz NPODEJPOJWLLGC-PZJWPPBQSA-N 1 0 397.563 4.110 20 0 GIADRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)c3ccc(C4CCCC4)cc3)nc2)C1 ZINC000571726840 823226063 /nfs/dbraw/zinc/22/60/63/823226063.db2.gz ILMTXQIXSOGGQU-OAQYLSRUSA-N 1 0 378.520 4.132 20 0 GIADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)CCCC2CCOCC2)C1 ZINC000409466675 823226840 /nfs/dbraw/zinc/22/68/40/823226840.db2.gz TUAXOINADQXAEY-WOJBJXKFSA-N 1 0 386.580 4.378 20 0 GIADRO CC[NH+](CC)CCOc1ccc(C(=O)Nc2cccc(NC(=O)C(C)C)c2)cc1 ZINC000056879221 823227251 /nfs/dbraw/zinc/22/72/51/823227251.db2.gz LBTLVMBYWQYHBG-UHFFFAOYSA-N 1 0 397.519 4.254 20 0 GIADRO C[NH+](C)CCC1CCN(C(=O)N[C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000056886023 823227890 /nfs/dbraw/zinc/22/78/90/823227890.db2.gz YLANEZNLRPHYHG-QFIPXVFZSA-N 1 0 383.511 4.288 20 0 GIADRO C[C@@H](CCCc1cccnc1)[NH2+]Cc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000459630470 823232715 /nfs/dbraw/zinc/23/27/15/823232715.db2.gz AGWNAKIYGWGHEC-LBPRGKRZSA-N 1 0 376.382 4.050 20 0 GIADRO C[C@@H](NC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)c1ccc(OC(F)F)cc1 ZINC000056936940 823232920 /nfs/dbraw/zinc/23/29/20/823232920.db2.gz UVCKMHJIQISENN-ACJLOTCBSA-N 1 0 395.425 4.090 20 0 GIADRO C[C@H]1CCCC[C@]1(C)[NH2+]Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000459618784 823230475 /nfs/dbraw/zinc/23/04/75/823230475.db2.gz SXWKAXRRPOEHKG-LIRRHRJNSA-N 1 0 378.563 4.272 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)COC(c1ccccc1)c1ccccc1)c1cncc(F)c1 ZINC000459618049 823230558 /nfs/dbraw/zinc/23/05/58/823230558.db2.gz AXEACCXWQRBDNT-HTAPYJJXSA-N 1 0 380.463 4.038 20 0 GIADRO CC[C@@]1(CO)CCCN(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC000188384894 823230892 /nfs/dbraw/zinc/23/08/92/823230892.db2.gz JUQRLKZILWKWLD-HSZRJFAPSA-N 1 0 387.568 4.468 20 0 GIADRO C[C@]1([NH3+])CCCC[C@@H]1C(=O)Nc1cccc(C[S@@](=O)C2CCCCC2)c1 ZINC000571759581 823230996 /nfs/dbraw/zinc/23/09/96/823230996.db2.gz YOFZEYKKNXGZSY-BNIKKZEQSA-N 1 0 376.566 4.114 20 0 GIADRO Cc1cc(C)cc(OCc2noc(C[NH2+][C@H](C)CCCc3cccnc3)n2)c1 ZINC000459630927 823232954 /nfs/dbraw/zinc/23/29/54/823232954.db2.gz BPOOBGGKXUCVDD-GOSISDBHSA-N 1 0 380.492 4.161 20 0 GIADRO Cc1ccc([C@H](OC[C@H](O)C[NH2+][C@@H](C)c2cncc(F)c2)c2ccccc2)cc1 ZINC000459620221 823231059 /nfs/dbraw/zinc/23/10/59/823231059.db2.gz HQJUBUULPXXLCU-NTUVXCKYSA-N 1 0 394.490 4.347 20 0 GIADRO C[C@H](NC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)c1ccc(OC(F)F)cc1 ZINC000056936942 823233004 /nfs/dbraw/zinc/23/30/04/823233004.db2.gz UVCKMHJIQISENN-SCLBCKFNSA-N 1 0 395.425 4.090 20 0 GIADRO COc1ccc2cc(CN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c3cncc(F)c3)ccc2c1 ZINC000459622692 823231218 /nfs/dbraw/zinc/23/12/18/823231218.db2.gz QICAAWSGEVZAOM-JKSUJKDBSA-N 1 0 395.478 4.080 20 0 GIADRO C[C@H](CCCc1cccnc1)[NH2+][C@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000459631805 823233055 /nfs/dbraw/zinc/23/30/55/823233055.db2.gz CBLDWAKWCHAUCX-HUUCEWRRSA-N 1 0 395.425 4.308 20 0 GIADRO CC[C@H](NC(=O)NCc1ccccc1C[NH+]1CCCCC1)c1c(C)noc1C ZINC000121700613 823233152 /nfs/dbraw/zinc/23/31/52/823233152.db2.gz MUFBSEQNXPVWGD-FQEVSTJZSA-N 1 0 384.524 4.228 20 0 GIADRO C[C@@H]([NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)c1nc2c(s1)CCC2 ZINC000459629189 823232392 /nfs/dbraw/zinc/23/23/92/823232392.db2.gz DFOWQEOSYWMJCV-MNOVXSKESA-N 1 0 387.332 4.029 20 0 GIADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000409487159 823232403 /nfs/dbraw/zinc/23/24/03/823232403.db2.gz PEESCGVPXYQZDD-OGWOLHLISA-N 1 0 384.923 4.183 20 0 GIADRO CCN(C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)[C@@H](C)c1cccc(OC)c1 ZINC000056935849 823232532 /nfs/dbraw/zinc/23/25/32/823232532.db2.gz LNHMOKYJSAEIBZ-KKSFZXQISA-N 1 0 387.499 4.230 20 0 GIADRO CC(C)[C@@H](NC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)c1nc2ccccc2[nH]1 ZINC000056936664 823232672 /nfs/dbraw/zinc/23/26/72/823232672.db2.gz ORMPQEWFCPTEFM-VQTJNVASSA-N 1 0 397.498 4.001 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1oc(CC(C)C)nc1C)c1cccc(OC)c1 ZINC000188397317 823233716 /nfs/dbraw/zinc/23/37/16/823233716.db2.gz CKCJLBCISTZIEI-LJQANCHMSA-N 1 0 387.524 4.003 20 0 GIADRO C[C@@H](CCCc1cccnc1)[NH2+]CC[S@](=O)c1cc(Cl)ccc1Cl ZINC000459645739 823237435 /nfs/dbraw/zinc/23/74/35/823237435.db2.gz RIRCRJZNNNWGOE-BSEYFRJRSA-N 1 0 385.360 4.497 20 0 GIADRO Fc1ccc(-n2nccc2C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)cc1 ZINC000459646083 823237442 /nfs/dbraw/zinc/23/74/42/823237442.db2.gz HWKVEKLMLWLDDL-GOSISDBHSA-N 1 0 397.416 4.192 20 0 GIADRO CC[N@@H+]1CC[C@@H](CNC(=O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)C1 ZINC000056983725 823237811 /nfs/dbraw/zinc/23/78/11/823237811.db2.gz XEXXUHMXGGJPRZ-ZDUSSCGKSA-N 1 0 397.466 4.209 20 0 GIADRO C[C@@H](CCCc1cccnc1)[NH2+]CC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000459639287 823235120 /nfs/dbraw/zinc/23/51/20/823235120.db2.gz KCQPEJDCPPXCRS-MBSDFSHPSA-N 1 0 393.556 4.350 20 0 GIADRO Brc1cnc(C[NH2+]CCc2cccc(Br)c2)s1 ZINC000459641360 823235901 /nfs/dbraw/zinc/23/59/01/823235901.db2.gz MMAWFIDJUTXJTL-UHFFFAOYSA-N 1 0 376.117 4.000 20 0 GIADRO CC(C)C[C@H]([NH3+])c1noc(C2CCN(c3noc4ccc(Cl)cc43)CC2)n1 ZINC000571799173 823235925 /nfs/dbraw/zinc/23/59/25/823235925.db2.gz BXOZVGBLIBRBPP-HNNXBMFYSA-N 1 0 389.887 4.294 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)Cc1ccc(F)cc1Br ZINC000188410196 823236138 /nfs/dbraw/zinc/23/61/38/823236138.db2.gz DNEPZXLNUQRQKX-UHFFFAOYSA-N 1 0 379.273 4.139 20 0 GIADRO Fc1ccccc1Cc1noc([C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)n1 ZINC000571800757 823236185 /nfs/dbraw/zinc/23/61/85/823236185.db2.gz CKGFTCOLNFOSSJ-AUSIDOKSSA-N 1 0 377.463 4.353 20 0 GIADRO CCOc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@@H](C)CCCc2cccnc2)cc1 ZINC000459644238 823236773 /nfs/dbraw/zinc/23/67/73/823236773.db2.gz WUOZGDJIPLJFCH-CVDCTZTESA-N 1 0 395.547 4.145 20 0 GIADRO FC(F)OC[C@@H]1CC[N@H+](Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC000571805492 823236818 /nfs/dbraw/zinc/23/68/18/823236818.db2.gz FIHJDJJRPXDNRX-GOSISDBHSA-N 1 0 398.457 4.055 20 0 GIADRO C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1c1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000571811478 823238090 /nfs/dbraw/zinc/23/80/90/823238090.db2.gz VZCOWWBHYIEMNO-ZOCIIQOWSA-N 1 0 391.437 4.067 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)CCCc1cccnc1)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000459648086 823238365 /nfs/dbraw/zinc/23/83/65/823238365.db2.gz UVYQPFANTGKIJZ-JKSUJKDBSA-N 1 0 391.918 4.222 20 0 GIADRO C[N@@H+](Cc1cccc(-c2ccncc2)c1)C[C@@H](c1cccs1)N1CCOCC1 ZINC000121730302 823238623 /nfs/dbraw/zinc/23/86/23/823238623.db2.gz JWIPZBBQXAHEKH-QFIPXVFZSA-N 1 0 393.556 4.315 20 0 GIADRO COc1ccc(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)c(OC(F)F)c1 ZINC000188421860 823238663 /nfs/dbraw/zinc/23/86/63/823238663.db2.gz MWDZBZNDKFUFHN-UHFFFAOYSA-N 1 0 396.478 4.070 20 0 GIADRO COc1ccc(C)cc1[C@H](C)[NH2+][C@H](C)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000459658163 823242445 /nfs/dbraw/zinc/24/24/45/823242445.db2.gz ORKNIOJNYWTXBH-JKSUJKDBSA-N 1 0 378.476 4.072 20 0 GIADRO CC(C)C[C@@H](Cc1cccc(Br)c1)C(=O)N1CCC([NH+](C)C)CC1 ZINC000176566731 823238781 /nfs/dbraw/zinc/23/87/81/823238781.db2.gz DVUXRJZJCJOEDX-KRWDZBQOSA-N 1 0 395.385 4.207 20 0 GIADRO Cc1ccccc1C1(C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)CCC1 ZINC000409524640 823241039 /nfs/dbraw/zinc/24/10/39/823241039.db2.gz BBOAIFPRMGNHSY-UHFFFAOYSA-N 1 0 380.532 4.064 20 0 GIADRO O=C(NC1CC[NH+](C2CC2)CC1)N(Cc1ccccc1C(F)(F)F)C1CC1 ZINC000121749032 823242722 /nfs/dbraw/zinc/24/27/22/823242722.db2.gz JVUJHCQYHAFTNM-UHFFFAOYSA-N 1 0 381.442 4.006 20 0 GIADRO C[C@@H](CNC(=O)N(Cc1ccco1)Cc1cccs1)C[NH+]1CCCCC1 ZINC000057043339 823242877 /nfs/dbraw/zinc/24/28/77/823242877.db2.gz CDGZIFWQFRUNHZ-KRWDZBQOSA-N 1 0 375.538 4.175 20 0 GIADRO Fc1ccc(C2=CC[C@@H]([NH2+][C@@H]3CCCc4c3cnn4-c3ncccn3)CC2)cc1 ZINC000571831282 823241534 /nfs/dbraw/zinc/24/15/34/823241534.db2.gz ATSLOTRRCHVCML-TZIWHRDSSA-N 1 0 389.478 4.405 20 0 GIADRO C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H](C)c1cncc(F)c1 ZINC000459656367 823241596 /nfs/dbraw/zinc/24/15/96/823241596.db2.gz VZRGCLAPFUKFIP-RYUDHWBXSA-N 1 0 385.361 4.187 20 0 GIADRO CC(C)(C)OC(=O)CCCC[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459656715 823241901 /nfs/dbraw/zinc/24/19/01/823241901.db2.gz HMWYDFRSHVAQHQ-OAHLLOKOSA-N 1 0 379.463 4.179 20 0 GIADRO COc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)cc1SC ZINC000459659911 823243235 /nfs/dbraw/zinc/24/32/35/823243235.db2.gz NGBDRUSLRMZSCB-UHFFFAOYSA-N 1 0 391.512 4.152 20 0 GIADRO C[C@@H](Oc1ccc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)cc1)c1ccccc1 ZINC000409532261 823243607 /nfs/dbraw/zinc/24/36/07/823243607.db2.gz WKSSVLHHQMDGOU-XXBNENTESA-N 1 0 396.531 4.009 20 0 GIADRO O=C(Nc1cccc2c1CC[NH2+]C2)N1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000571863462 823247445 /nfs/dbraw/zinc/24/74/45/823247445.db2.gz OYQPTSPQTAFVCM-QGZVFWFLSA-N 1 0 387.936 4.384 20 0 GIADRO Cc1cc(C(F)(F)F)nn1CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000571844704 823244371 /nfs/dbraw/zinc/24/43/71/823244371.db2.gz HNUKUXSBHQHUFF-CQSZACIVSA-N 1 0 394.441 4.081 20 0 GIADRO FC(F)(F)[C@H]1CC[N@H+](Cc2cncn2Cc2ccccc2)CC12CCOCC2 ZINC000459662742 823244490 /nfs/dbraw/zinc/24/44/90/823244490.db2.gz NSXHFHPAUXAGPL-IBGZPJMESA-N 1 0 393.453 4.112 20 0 GIADRO CC(C)(C)Oc1cccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)n1 ZINC000459663439 823244669 /nfs/dbraw/zinc/24/46/69/823244669.db2.gz OPPVLCWFJWKXPV-MRXNPFEDSA-N 1 0 386.458 4.440 20 0 GIADRO C[C@H](NC(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccc(-c2cccnc2)cc1 ZINC000176599426 823245222 /nfs/dbraw/zinc/24/52/22/823245222.db2.gz IMFKBIHOWJMONP-IBGZPJMESA-N 1 0 392.547 4.327 20 0 GIADRO CC(=O)CC(C)(C)CC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000409539649 823245515 /nfs/dbraw/zinc/24/55/15/823245515.db2.gz XTORTCIEHXQCKK-UHFFFAOYSA-N 1 0 378.944 4.160 20 0 GIADRO CSC1(CNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2Cl)CC[NH+](C)CC1 ZINC000571853888 823246220 /nfs/dbraw/zinc/24/62/20/823246220.db2.gz NRPWTCSQZXUDHC-HUUCEWRRSA-N 1 0 387.376 4.041 20 0 GIADRO COC(=O)C12CCC(C(=O)Nc3ccc(C[NH+]4CCC(C)CC4)cc3)(CC1)CC2 ZINC000571859637 823246956 /nfs/dbraw/zinc/24/69/56/823246956.db2.gz SFTVWUVOEYADKS-UHFFFAOYSA-N 1 0 398.547 4.371 20 0 GIADRO O=C(CCCNC(=O)[C@@H]1CC=CCC1)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000409573450 823252387 /nfs/dbraw/zinc/25/23/87/823252387.db2.gz ARNMTWGQOJSLTG-OAQYLSRUSA-N 1 0 397.563 4.254 20 0 GIADRO C=CCc1cc(OCC)cc(C[N@H+](C)Cc2ccc(C(=O)NC3CC3)cc2)c1O ZINC000057086069 823248401 /nfs/dbraw/zinc/24/84/01/823248401.db2.gz CLJGFMVPAZVESG-UHFFFAOYSA-N 1 0 394.515 4.044 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc3cc[nH]c(=O)c3c2)[C@H]1c1cccs1 ZINC000571876404 823249047 /nfs/dbraw/zinc/24/90/47/823249047.db2.gz RVKWOZYSEXXHSZ-KXBFYZLASA-N 1 0 396.516 4.207 20 0 GIADRO CCOc1cc(C[NH2+]C2(CO)CCSCC2)ccc1OCc1ccccc1 ZINC000459683622 823249834 /nfs/dbraw/zinc/24/98/34/823249834.db2.gz ANLYLUAZBLAANK-UHFFFAOYSA-N 1 0 387.545 4.012 20 0 GIADRO O=C(NC[C@@H]1CCCO[C@H]1c1ccccc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000409565159 823250175 /nfs/dbraw/zinc/25/01/75/823250175.db2.gz IKTWZCILUJLJLA-GOTSBHOMSA-N 1 0 378.516 4.180 20 0 GIADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1c(C)nn(C(C)(C)C)c1C)Cc1ccncc1 ZINC000571889832 823250255 /nfs/dbraw/zinc/25/02/55/823250255.db2.gz GCAIPBYVJVSHKJ-OAQYLSRUSA-N 1 0 383.584 4.136 20 0 GIADRO CC(=O)N(c1nc(C[NH2+]CC2(Cc3cccc(Cl)c3)CC2)cs1)C1CC1 ZINC000459687573 823250647 /nfs/dbraw/zinc/25/06/47/823250647.db2.gz HAEMDIQAYXYWLL-UHFFFAOYSA-N 1 0 389.952 4.424 20 0 GIADRO C[C@H](c1ccccc1Br)N(C)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000176621626 823250782 /nfs/dbraw/zinc/25/07/82/823250782.db2.gz TVVKGXRWSIBUMQ-KFWWJZLASA-N 1 0 382.346 4.024 20 0 GIADRO COc1cc([C@H](C)[NH2+]CC(C)(C)c2cccc(Cl)c2)ccc1S(C)(=O)=O ZINC000121788053 823251469 /nfs/dbraw/zinc/25/14/69/823251469.db2.gz NEQLQJJHRIKMJN-AWEZNQCLSA-N 1 0 395.952 4.381 20 0 GIADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)Cc1nc(-c2ccccc2)oc1C)c1ccco1 ZINC000571914116 823253316 /nfs/dbraw/zinc/25/33/16/823253316.db2.gz QPUUGORPIIPZFO-KXBFYZLASA-N 1 0 381.476 4.031 20 0 GIADRO Cc1nn(C)c(N2CCOCC2)c1C[N@@H+]1CC2(CCCCC2)[C@@H]1c1ccccc1 ZINC000459707656 823254606 /nfs/dbraw/zinc/25/46/06/823254606.db2.gz JMPJZSFCJKVSRF-QFIPXVFZSA-N 1 0 394.563 4.073 20 0 GIADRO CC(C)C[NH+]1CCC(NC(=O)C(Cc2ccccc2)Cc2ccccc2)CC1 ZINC000409585319 823254989 /nfs/dbraw/zinc/25/49/89/823254989.db2.gz DQWMAXHQFVLMMV-UHFFFAOYSA-N 1 0 378.560 4.325 20 0 GIADRO CCc1nc(C)c([C@H](C)N(C)C(=O)NCCCCC[NH+]2CCCCC2)s1 ZINC000176639118 823255079 /nfs/dbraw/zinc/25/50/79/823255079.db2.gz ZTEXPASNLIMOPM-KRWDZBQOSA-N 1 0 380.602 4.373 20 0 GIADRO CO[C@@](C)([C@@H](C)[NH2+]Cc1coc(-c2ccc(Br)cc2)n1)C1CC1 ZINC000411939193 823615174 /nfs/dbraw/zinc/61/51/74/823615174.db2.gz FCMVBVGTNHMMQA-XIKOKIGWSA-N 1 0 379.298 4.397 20 0 GIADRO C[C@H]([NH2+]CC1CCN(CC(F)(F)F)CC1)c1ccc(F)cc1OC(F)F ZINC000188521774 823255803 /nfs/dbraw/zinc/25/58/03/823255803.db2.gz CQJOPJDEXSAMBQ-NSHDSACASA-N 1 0 384.364 4.352 20 0 GIADRO COc1ccc([C@H](CO)C[NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)cc1 ZINC000459732950 823258186 /nfs/dbraw/zinc/25/81/86/823258186.db2.gz JLSXPHYBDBDWKE-INIZCTEOSA-N 1 0 388.920 4.338 20 0 GIADRO COc1cc(OC)c([C@@H](C)[NH2+]CC2CCN(CC(F)(F)F)CC2)cc1Cl ZINC000188525199 823256551 /nfs/dbraw/zinc/25/65/51/823256551.db2.gz LAQZTIMYAIASPN-GFCCVEGCSA-N 1 0 394.865 4.282 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cnc(-c3ncccn3)s2)cc1 ZINC000121814812 823256633 /nfs/dbraw/zinc/25/66/33/823256633.db2.gz UMWVKTONGZBDEB-OAHLLOKOSA-N 1 0 393.516 4.227 20 0 GIADRO Cc1ccnc(Oc2ccc(NC(=O)[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc2)n1 ZINC000571938811 823257545 /nfs/dbraw/zinc/25/75/45/823257545.db2.gz BXDLYZAORHTGSY-LJQANCHMSA-N 1 0 388.471 4.038 20 0 GIADRO CC(C)(C)c1ccc(CCC(=O)NC2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000057166782 823257609 /nfs/dbraw/zinc/25/76/09/823257609.db2.gz XFHRRWIMLHDGLI-UHFFFAOYSA-N 1 0 379.548 4.093 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)N[C@H](CC(F)(F)F)c1ccccc1)c1ccsc1 ZINC000057130593 823252925 /nfs/dbraw/zinc/25/29/25/823252925.db2.gz NFWOFHAUMHGZMV-CVEARBPZSA-N 1 0 385.455 4.344 20 0 GIADRO CO[C@@](C)([C@@H](C)[NH2+]Cc1ccnc(-c2ccc(Br)cc2)n1)C1CC1 ZINC000411970603 823617242 /nfs/dbraw/zinc/61/72/42/823617242.db2.gz NJSIFGDFMCIYEA-YJYMSZOUSA-N 1 0 390.325 4.199 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)Nc1nc2ccccc2s1 ZINC000409601088 823258699 /nfs/dbraw/zinc/25/86/99/823258699.db2.gz YUWKPJPFKFVBKB-UHFFFAOYSA-N 1 0 398.532 4.339 20 0 GIADRO FC(F)(F)c1ccc(-c2n[nH]cc2C[N@@H+]2CC3(CCC3)[C@H]3COC[C@H]32)cc1 ZINC000459741486 823259162 /nfs/dbraw/zinc/25/91/62/823259162.db2.gz YJGXOGRBOWHNKV-DLBZAZTESA-N 1 0 377.410 4.096 20 0 GIADRO CCCC(=O)Nc1cccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000057177116 823259545 /nfs/dbraw/zinc/25/95/45/823259545.db2.gz CREIKYZAKJBCHS-UHFFFAOYSA-N 1 0 379.504 4.276 20 0 GIADRO COc1ccc(NC(=O)NC2CC[NH+](CC3CCCC3)CC2)cc1SC ZINC000459746478 823259621 /nfs/dbraw/zinc/25/96/21/823259621.db2.gz BZXGGBIISPXASC-UHFFFAOYSA-N 1 0 377.554 4.193 20 0 GIADRO CC(C)(C)[C@H]1C[C@@H]([NH2+][C@@H]2CCO[C@H]2c2cncc(Br)c2)CS1 ZINC000459750923 823260330 /nfs/dbraw/zinc/26/03/30/823260330.db2.gz AXUWSLXZGWNLGD-FPCVCCKLSA-N 1 0 385.371 4.184 20 0 GIADRO O=C(NC[C@H](Cc1ccccc1)c1ccccc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000176662007 823260610 /nfs/dbraw/zinc/26/06/10/823260610.db2.gz LKUBFEFYERVRBN-UPVQGACJSA-N 1 0 391.559 4.140 20 0 GIADRO CC(=O)c1ccc(NC(=O)CC[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)cc1 ZINC000121838181 823260651 /nfs/dbraw/zinc/26/06/51/823260651.db2.gz ATCIBENXTLCDNH-RTWAWAEBSA-N 1 0 398.503 4.179 20 0 GIADRO COc1cc(OC)cc(OCCC[NH2+][C@H](c2ccccc2)c2ccc(F)cn2)c1 ZINC000571959406 823260664 /nfs/dbraw/zinc/26/06/64/823260664.db2.gz FJTWZCRRXDAPCP-HSZRJFAPSA-N 1 0 396.462 4.386 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1cccc(-c2noc(C3CC3)n2)c1)c1ccccc1 ZINC000176662662 823260948 /nfs/dbraw/zinc/26/09/48/823260948.db2.gz FEJSILXCQDKPOV-LJQANCHMSA-N 1 0 391.475 4.038 20 0 GIADRO C[C@@H](CCc1ccc(F)cc1)[NH2+][C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000459755823 823260879 /nfs/dbraw/zinc/26/08/79/823260879.db2.gz FXDDKMZMUHJKRM-BKTGTZMESA-N 1 0 393.300 4.424 20 0 GIADRO Brc1cncc([C@@H]2OCC[C@H]2[NH2+]CCCCOc2ccccc2)c1 ZINC000459764092 823261857 /nfs/dbraw/zinc/26/18/57/823261857.db2.gz NLHHNQQWYWIUCY-MOPGFXCFSA-N 1 0 391.309 4.123 20 0 GIADRO COc1ccc([C@H](C)C[NH2+][C@@H]2CCO[C@H]2c2cncc(Br)c2)cc1 ZINC000459764119 823261947 /nfs/dbraw/zinc/26/19/47/823261947.db2.gz NNBCCHXRFUJGEV-ZNOIYHFQSA-N 1 0 391.309 4.076 20 0 GIADRO COc1ccc([C@@H](C)C[NH2+][C@@H]2CCO[C@H]2c2cncc(Br)c2)cc1 ZINC000459764115 823261954 /nfs/dbraw/zinc/26/19/54/823261954.db2.gz NNBCCHXRFUJGEV-BKTGTZMESA-N 1 0 391.309 4.076 20 0 GIADRO COc1cc(Br)c(CNc2ccc(C[NH+](C)C)c(C)c2)cc1O ZINC000459767654 823262206 /nfs/dbraw/zinc/26/22/06/823262206.db2.gz QDMVUPRNMRHFSC-UHFFFAOYSA-N 1 0 379.298 4.145 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCSCC2)c1)c1csc(-c2ccoc2)n1 ZINC000409615813 823262592 /nfs/dbraw/zinc/26/25/92/823262592.db2.gz AMXMKNVMUZJMHE-UHFFFAOYSA-N 1 0 385.514 4.204 20 0 GIADRO CC(=O)c1ccc(NC(=S)N(CCC[NH+](C)C)Cc2cccs2)cc1 ZINC000003357806 817441850 /nfs/dbraw/zinc/44/18/50/817441850.db2.gz PCABDQYEJOREJO-UHFFFAOYSA-N 1 0 375.563 4.101 20 0 GIADRO C[C@H](c1ccc(C[NH2+]C2(C(N)=O)C3CC4CC(C3)CC2C4)cc1)C(F)(F)F ZINC000459778122 823263761 /nfs/dbraw/zinc/26/37/61/823263761.db2.gz PGHAQJMOXUHDNV-AXXISWQQSA-N 1 0 380.454 4.122 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)c1 ZINC000057206669 823264359 /nfs/dbraw/zinc/26/43/59/823264359.db2.gz CAMNEKOLWGZPHA-UHFFFAOYSA-N 1 0 384.495 4.354 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCCC(F)(F)C2)CC[N@@H+]1Cc1ccccc1 ZINC000409625102 823264936 /nfs/dbraw/zinc/26/49/36/823264936.db2.gz OGRHNGBIZHXBHG-BHIYHBOVSA-N 1 0 379.495 4.164 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CCCC(F)(F)C2)[C@H]1c1cccs1 ZINC000409625683 823265119 /nfs/dbraw/zinc/26/51/19/823265119.db2.gz ZJOHNZASOBQFKW-INMHGKMJSA-N 1 0 385.524 4.256 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CCCC(F)(F)C2)[C@@H]1c1cccs1 ZINC000409625682 823265268 /nfs/dbraw/zinc/26/52/68/823265268.db2.gz ZJOHNZASOBQFKW-BFYDXBDKSA-N 1 0 385.524 4.256 20 0 GIADRO O=C(Nc1ccc(F)cc1OCC1CC1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000571982153 823265275 /nfs/dbraw/zinc/26/52/75/823265275.db2.gz RSEHWIHUWJPKIA-VQIMIIECSA-N 1 0 375.488 4.001 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)N1CCCC2(CCCCC2)CC1 ZINC000188582360 823265849 /nfs/dbraw/zinc/26/58/49/823265849.db2.gz AIFNTVANRRTWFJ-UHFFFAOYSA-N 1 0 384.568 4.192 20 0 GIADRO C[C@@H](CCCOc1ccccc1C(N)=O)[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000121866971 823266309 /nfs/dbraw/zinc/26/63/09/823266309.db2.gz SXTHCYIFGWESDC-AWEZNQCLSA-N 1 0 380.410 4.142 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCCC(F)(F)C1 ZINC000409629123 823266445 /nfs/dbraw/zinc/26/64/45/823266445.db2.gz GUTUPKCEDFBEAO-UXHICEINSA-N 1 0 393.522 4.366 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)CC[N@@H+]1C ZINC000572018695 823269698 /nfs/dbraw/zinc/26/96/98/823269698.db2.gz MRLIJNFTGCNPAV-GXTWGEPZSA-N 1 0 378.929 4.410 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)c2ccc(Br)cc2Cl)cc1F ZINC000121883319 823269894 /nfs/dbraw/zinc/26/98/94/823269894.db2.gz ZTUTZUJHCJQFTG-UHFFFAOYSA-N 1 0 399.691 4.233 20 0 GIADRO CC(C)OCC[NH+]1CCC(NC(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)CC1 ZINC000176696093 823270196 /nfs/dbraw/zinc/27/01/96/823270196.db2.gz FHJWKJXQMLHVSS-OALUTQOASA-N 1 0 399.362 4.103 20 0 GIADRO Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+](Cc3cnc(C(C)(C)C)nc3)C2)cc1 ZINC000572022928 823270347 /nfs/dbraw/zinc/27/03/47/823270347.db2.gz BRAWOXNJTMSYGL-GOSISDBHSA-N 1 0 395.551 4.116 20 0 GIADRO CC(C)CC1(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)NCc3ccco3)cc2)CC1 ZINC000572025969 823271181 /nfs/dbraw/zinc/27/11/81/823271181.db2.gz LIPNMWJPPGOPRZ-KRWDZBQOSA-N 1 0 390.549 4.235 20 0 GIADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(F)cc2F)CC1 ZINC000005089708 817550354 /nfs/dbraw/zinc/55/03/54/817550354.db2.gz POYSBMMBKOZODH-UHFFFAOYSA-N 1 0 379.838 4.012 20 0 GIADRO C[C@H](C(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1)c1ccc(Br)cc1 ZINC000572032974 823271808 /nfs/dbraw/zinc/27/18/08/823271808.db2.gz JRFDTEVCFBVXSM-UGSOOPFHSA-N 1 0 393.300 4.111 20 0 GIADRO Cc1ccccc1OC[C@H](O)C[NH2+][C@@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000572039401 823272523 /nfs/dbraw/zinc/27/25/23/823272523.db2.gz QOODWHMYOJBBGD-AZUAARDMSA-N 1 0 378.472 4.273 20 0 GIADRO CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc3c(c2)nc(C)n3Cc2ccsc2)[C@@H](C)C1 ZINC000572038868 823272565 /nfs/dbraw/zinc/27/25/65/823272565.db2.gz BLGHHFYIJZHAIB-IYBDPMFKSA-N 1 0 396.560 4.009 20 0 GIADRO Cc1ccc(NC(=O)C(=O)Nc2cccc3c2C[N@H+]([C@H](C)C(C)C)C3)cc1C ZINC000188621979 823274801 /nfs/dbraw/zinc/27/48/01/823274801.db2.gz NXVQNAJZBFHNFT-QGZVFWFLSA-N 1 0 379.504 4.241 20 0 GIADRO O=C([C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000409668347 823278826 /nfs/dbraw/zinc/27/88/26/823278826.db2.gz YKOWPSMFHBSLFZ-QKLQHJQFSA-N 1 0 394.918 4.034 20 0 GIADRO O=C(c1cnc2c(F)ccc(F)c2c1)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000460024128 823280393 /nfs/dbraw/zinc/28/03/93/823280393.db2.gz MFCABOOHQQWGKJ-INIZCTEOSA-N 1 0 379.410 4.138 20 0 GIADRO CCOc1cc(C[N@H+](C)[C@H]2C[C@@H](OC)C2)cc(Br)c1OC(F)F ZINC000572079991 823279343 /nfs/dbraw/zinc/27/93/43/823279343.db2.gz GFBUJQXFMYBFAS-TXEJJXNPSA-N 1 0 394.256 4.058 20 0 GIADRO FC(F)(F)c1cccc(NC(=S)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000005939206 817631625 /nfs/dbraw/zinc/63/16/25/817631625.db2.gz KRPIYDWMPXUBNC-HNNXBMFYSA-N 1 0 383.439 4.422 20 0 GIADRO Cc1nc(CSc2ccc(C(=O)N3CCCC[C@@H]3[C@@H](C)[NH3+])cc2)cs1 ZINC000121936870 823280461 /nfs/dbraw/zinc/28/04/61/823280461.db2.gz XLIPYUZERWMTFV-FZKQIMNGSA-N 1 0 375.563 4.086 20 0 GIADRO COc1cc2c(cc1F)[nH+]ccc2N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000409659365 823276103 /nfs/dbraw/zinc/27/61/03/823276103.db2.gz KSNBZLIUNSKRPZ-OAHLLOKOSA-N 1 0 380.467 4.299 20 0 GIADRO CSC[C@@H](C)NC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000572061782 823276287 /nfs/dbraw/zinc/27/62/87/823276287.db2.gz BCMPWWMILGSZBN-GYISXVGNSA-N 1 0 396.000 4.305 20 0 GIADRO C[NH+](C)CCN(Cc1ncc(C(F)(F)F)s1)Cc1ccc(F)cc1F ZINC000572081878 823280244 /nfs/dbraw/zinc/28/02/44/823280244.db2.gz YFUKYGPVQFBWAA-UHFFFAOYSA-N 1 0 379.398 4.004 20 0 GIADRO Cc1nc(-c2ccccc2)oc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000176723745 823277580 /nfs/dbraw/zinc/27/75/80/823277580.db2.gz JQYVJBCFQXFEAV-DYESRHJHSA-N 1 0 389.499 4.433 20 0 GIADRO O=C(CCCC1CCOCC1)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000409665836 823277885 /nfs/dbraw/zinc/27/78/85/823277885.db2.gz LXTFNXGSAVZFRW-UHFFFAOYSA-N 1 0 392.971 4.265 20 0 GIADRO CC[NH+](CC)Cc1cc([C@@H](C)Nc2ccc(OC3COC3)cc2)ccc1OC ZINC000188651387 823280602 /nfs/dbraw/zinc/28/06/02/823280602.db2.gz LVGJJGVZAXVHDI-QGZVFWFLSA-N 1 0 384.520 4.488 20 0 GIADRO Cc1cccnc1C(C)(C)C[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000572115158 823285664 /nfs/dbraw/zinc/28/56/64/823285664.db2.gz TZTOUVQVLRMYHM-HNNXBMFYSA-N 1 0 383.319 4.004 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000409689740 823283647 /nfs/dbraw/zinc/28/36/47/823283647.db2.gz ZAOQVIKYKAYXEP-UHFFFAOYSA-N 1 0 387.911 4.443 20 0 GIADRO O=C(NCc1ccc2c(c1)C[NH2+]C2)[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000188684499 823285781 /nfs/dbraw/zinc/28/57/81/823285781.db2.gz XGANZJWGDGELFR-RPBOFIJWSA-N 1 0 398.506 4.289 20 0 GIADRO Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1ccccc1C[NH+](C)C ZINC000006992527 817736829 /nfs/dbraw/zinc/73/68/29/817736829.db2.gz FHOMRCSWDGTBKF-UHFFFAOYSA-N 1 0 383.879 4.295 20 0 GIADRO Cc1ccc([C@H](C)NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000460101139 823284577 /nfs/dbraw/zinc/28/45/77/823284577.db2.gz CJWUJUTXEMOBGB-AJSBUHFISA-N 1 0 377.532 4.220 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)N1CC2(CCC2)[C@@H]1C1CC1)[NH+]1CCCCC1 ZINC000460107930 823286159 /nfs/dbraw/zinc/28/61/59/823286159.db2.gz MHDSZVHPTJKZEX-UNMCSNQZSA-N 1 0 397.563 4.196 20 0 GIADRO COc1ccc(C[C@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000121968241 823286219 /nfs/dbraw/zinc/28/62/19/823286219.db2.gz KZWMVISRUTZIGF-NNMXDRDESA-N 1 0 380.532 4.043 20 0 GIADRO COc1ccc(C[C@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000121968797 823286340 /nfs/dbraw/zinc/28/63/40/823286340.db2.gz KZWMVISRUTZIGF-IPJJNNNSSA-N 1 0 380.532 4.043 20 0 GIADRO COc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCc1cn(C)c2cc(C)ccc12 ZINC000188697595 823288048 /nfs/dbraw/zinc/28/80/48/823288048.db2.gz OTIYPBMAPSVUII-QGZVFWFLSA-N 1 0 379.504 4.045 20 0 GIADRO C[NH+](C)CC1(C(=O)Nc2ccc(OCc3ccccn3)c(F)c2)CCCCC1 ZINC000460133428 823291544 /nfs/dbraw/zinc/29/15/44/823291544.db2.gz NLKPTECZQMJEIZ-UHFFFAOYSA-N 1 0 385.483 4.250 20 0 GIADRO Cc1ccc2c(CC[NH2+][C@H](C)c3cccc(N4CCOC4=O)c3)cn(C)c2c1 ZINC000188699070 823288311 /nfs/dbraw/zinc/28/83/11/823288311.db2.gz NIVIMFRSYQMECK-QGZVFWFLSA-N 1 0 377.488 4.337 20 0 GIADRO CN(C(=O)c1cc(F)c(Cl)cc1F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000121988270 823289017 /nfs/dbraw/zinc/28/90/17/823289017.db2.gz QCFOHPYOHBBUAH-UHFFFAOYSA-N 1 0 378.850 4.355 20 0 GIADRO CC[C@@H]([NH2+]C1CCN(c2ccc(S(=O)(=O)CC)cc2)CC1)c1cccs1 ZINC000121987377 823289078 /nfs/dbraw/zinc/28/90/78/823289078.db2.gz JFHGWCKWHOLXSJ-LJQANCHMSA-N 1 0 392.590 4.251 20 0 GIADRO CC[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)c1nc(C(F)(F)F)cs1 ZINC000460124613 823289522 /nfs/dbraw/zinc/28/95/22/823289522.db2.gz LFGZDGGFQZSGBJ-LBPRGKRZSA-N 1 0 377.476 4.241 20 0 GIADRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCO[C@H](c3ccco3)C2)c1 ZINC000176774702 823290026 /nfs/dbraw/zinc/29/00/26/823290026.db2.gz ASNVPNDUHJEWOV-QHCPKHFHSA-N 1 0 390.483 4.125 20 0 GIADRO C[C@@H]([NH2+]CCc1ccccc1OC(F)F)c1ncc(Br)s1 ZINC000188715891 823291676 /nfs/dbraw/zinc/29/16/76/823291676.db2.gz IYOONHOYIUUXIN-SECBINFHSA-N 1 0 377.254 4.400 20 0 GIADRO C[C@H](NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccc(F)cc1F ZINC000057396895 823290191 /nfs/dbraw/zinc/29/01/91/823290191.db2.gz YKIBCXRBXITLRY-AWEZNQCLSA-N 1 0 391.437 4.129 20 0 GIADRO C[C@H](CNC(=O)Cc1csc(-c2ccc(Cl)s2)n1)[NH+]1CCCCC1 ZINC000057397141 823290226 /nfs/dbraw/zinc/29/02/26/823290226.db2.gz FOQVLUAYUCLVBI-GFCCVEGCSA-N 1 0 383.970 4.058 20 0 GIADRO CC(C)c1cc(C(=O)Nc2nc(C3CC[NH2+]CC3)cs2)nn1-c1ccccc1 ZINC000572148210 823290567 /nfs/dbraw/zinc/29/05/67/823290567.db2.gz AARDEIJHZCZEOY-UHFFFAOYSA-N 1 0 395.532 4.172 20 0 GIADRO C[C@H]([NH2+]C(C)(C)CNC(=O)N1CC2(CCC2)[C@@H]1C1CCOCC1)c1ccccc1 ZINC000572150664 823290754 /nfs/dbraw/zinc/29/07/54/823290754.db2.gz AKFQSQKJTDSJRS-RXVVDRJESA-N 1 0 399.579 4.107 20 0 GIADRO O=C(N[C@H](c1c(Cl)cccc1Cl)C1CC1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000460130079 823290927 /nfs/dbraw/zinc/29/09/27/823290927.db2.gz KTVBAKMWQUNCMM-LBTNJELSSA-N 1 0 382.335 4.371 20 0 GIADRO CCOc1cccc2cc([C@H](C)[NH2+][C@H](C)CS(=O)(=O)c3ccccc3)oc21 ZINC000122004862 823291888 /nfs/dbraw/zinc/29/18/88/823291888.db2.gz YELWMGYPJKNWLI-CVEARBPZSA-N 1 0 387.501 4.345 20 0 GIADRO COc1ccc(C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)cc1-c1ccccn1 ZINC000122006838 823292236 /nfs/dbraw/zinc/29/22/36/823292236.db2.gz LBKXEWGLIFJQJK-JOCHJYFZSA-N 1 0 389.499 4.098 20 0 GIADRO O=C(NCc1ccc(Cl)s1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000460135749 823292536 /nfs/dbraw/zinc/29/25/36/823292536.db2.gz SMWQLUSCBZSQPN-SJORKVTESA-N 1 0 389.952 4.065 20 0 GIADRO O=C(CCc1c2cc(F)ccc2[nH]c1-c1ccc(F)cc1)NCC[NH+]1CCCC1 ZINC000007435972 817841545 /nfs/dbraw/zinc/84/15/45/817841545.db2.gz PIGKHKCYROADMY-UHFFFAOYSA-N 1 0 397.469 4.258 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(OC)c(-c2ccccn2)c1)c1ccco1 ZINC000122008871 823292667 /nfs/dbraw/zinc/29/26/67/823292667.db2.gz CYGNMBRTQJNMQN-HXUWFJFHSA-N 1 0 393.487 4.163 20 0 GIADRO CC[NH+]1CCC(NC(=O)N2CC[C@H](C)[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000122013907 823293341 /nfs/dbraw/zinc/29/33/41/823293341.db2.gz VGWNMPSSNWJLET-KSSFIOAISA-N 1 0 383.458 4.282 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(NC(=O)c3cccnc3)cc2)C12CCCC2 ZINC000572192914 823297611 /nfs/dbraw/zinc/29/76/11/823297611.db2.gz FILAJRXFSBXPMT-LEWJYISDSA-N 1 0 379.504 4.161 20 0 GIADRO Cc1cc([C@H](C)NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c(C)o1 ZINC000460140208 823294528 /nfs/dbraw/zinc/29/45/28/823294528.db2.gz AFTDDFHJWSMALK-WMQCIHAUSA-N 1 0 381.520 4.121 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CCCc2nc(-c3cccs3)no2)c(C)c1OC ZINC000572193514 823297727 /nfs/dbraw/zinc/29/77/27/823297727.db2.gz BODGZAMGPQQXMN-CQSZACIVSA-N 1 0 387.505 4.407 20 0 GIADRO CCN(C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)[C@H]1CCOC(C)(C)C1 ZINC000460140242 823294943 /nfs/dbraw/zinc/29/49/43/823294943.db2.gz ASRZZCHCGLSSBJ-SFTDATJTSA-N 1 0 387.568 4.030 20 0 GIADRO O=C(CC[NH2+]C1CC1)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000572179424 823295629 /nfs/dbraw/zinc/29/56/29/823295629.db2.gz UYYIAEGSGFPARQ-GOSISDBHSA-N 1 0 381.907 4.212 20 0 GIADRO Cc1cc(F)cc2c1CN(C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000409744171 823297210 /nfs/dbraw/zinc/29/72/10/823297210.db2.gz YQBKSEQGCDQBNV-GHTZIAJQSA-N 1 0 395.522 4.112 20 0 GIADRO COc1ccc(C[C@](C)(O)C[NH2+][C@@H]2CC[C@](C)(c3ccccc3)C2)cc1OC ZINC000572209002 823300974 /nfs/dbraw/zinc/30/09/74/823300974.db2.gz IGZYTVIGNUYVJK-QDSKXPNFSA-N 1 0 383.532 4.097 20 0 GIADRO COC(=O)CCSc1cccc(NC(=O)c2cccc(C[NH+]3CCCC3)c2)c1 ZINC000122072598 823302131 /nfs/dbraw/zinc/30/21/31/823302131.db2.gz ZXFGEBYDORGTLE-UHFFFAOYSA-N 1 0 398.528 4.190 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCCC1)[C@H]1COc2ccc(Cl)cc2C1 ZINC000007850389 817937244 /nfs/dbraw/zinc/93/72/44/817937244.db2.gz YTNBCQSVAWZIRI-HXUWFJFHSA-N 1 0 398.934 4.193 20 0 GIADRO CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000007923717 817959980 /nfs/dbraw/zinc/95/99/80/817959980.db2.gz HNDQCUVFUPVOJZ-UHFFFAOYSA-N 1 0 386.923 4.410 20 0 GIADRO CCN(C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1)[C@H]1CCOC(C)(C)C1 ZINC000460153104 823299220 /nfs/dbraw/zinc/29/92/20/823299220.db2.gz WNQIUEVGSBDTSE-LEWJYISDSA-N 1 0 387.568 4.121 20 0 GIADRO COc1ccc2nc(C[NH2+][C@@H]3CCO[C@@H]3c3ccc(F)c(F)c3)sc2c1 ZINC000188760583 823299369 /nfs/dbraw/zinc/29/93/69/823299369.db2.gz AQPBHZMMPRDJMJ-VQIMIIECSA-N 1 0 376.428 4.203 20 0 GIADRO COC(=O)c1c(C)c(C)sc1NC(=O)C[NH2+][C@H](c1ccc(F)cc1)C(C)C ZINC000008003789 817979385 /nfs/dbraw/zinc/97/93/85/817979385.db2.gz ITXNGZZAVNFYSW-SFHVURJKSA-N 1 0 392.496 4.216 20 0 GIADRO CC(C)[C@H]([NH2+]CC(=O)NCCc1ccc(OC(F)F)cc1)c1ccc(F)cc1 ZINC000008004122 817979527 /nfs/dbraw/zinc/97/95/27/817979527.db2.gz JNTNUSJUPMTENC-FQEVSTJZSA-N 1 0 394.437 4.073 20 0 GIADRO C[NH+]1CCN(c2ccccc2NC(=O)c2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000057463570 823300056 /nfs/dbraw/zinc/30/00/56/823300056.db2.gz CMQQVHKJEPCCTM-UHFFFAOYSA-N 1 0 379.435 4.090 20 0 GIADRO CCN(C(=O)NC[C@H](c1ccsc1)[NH+](CC)CC)[C@@H]1CCOC(C)(C)C1 ZINC000460169654 823304437 /nfs/dbraw/zinc/30/44/37/823304437.db2.gz KTGOQLKFAVKSDK-QZTJIDSGSA-N 1 0 381.586 4.120 20 0 GIADRO CCN(CC)C(=O)c1ccc(NC(=O)C[N@H+](C)[C@H]2CCCc3ccccc32)cc1 ZINC000008126373 818004509 /nfs/dbraw/zinc/00/45/09/818004509.db2.gz YLKAFQOUDWYUJX-QFIPXVFZSA-N 1 0 393.531 4.117 20 0 GIADRO Cc1cccc(NC(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c1Cl ZINC000572258406 823308695 /nfs/dbraw/zinc/30/86/95/823308695.db2.gz LCPYIRGZVHNWPD-DOTOQJQBSA-N 1 0 375.875 4.302 20 0 GIADRO CCn1c(N2CCC[C@@H]([NH+]3CCCC3)CC2)nnc1C(C)(C)c1ccccc1 ZINC000460175887 823306365 /nfs/dbraw/zinc/30/63/65/823306365.db2.gz JCUDCVWAIWPIPP-HXUWFJFHSA-N 1 0 381.568 4.079 20 0 GIADRO COC(=O)CCC1CC[NH+](Cc2nc(C)c(-c3ccc(Cl)cc3)o2)CC1 ZINC000122112239 823307766 /nfs/dbraw/zinc/30/77/66/823307766.db2.gz IQEFENIPQJXIPR-UHFFFAOYSA-N 1 0 376.884 4.469 20 0 GIADRO Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)NCc1ccc2c[nH+]cn2c1 ZINC000572250562 823307915 /nfs/dbraw/zinc/30/79/15/823307915.db2.gz AZSRWLQUCKGBAP-QGZVFWFLSA-N 1 0 377.492 4.343 20 0 GIADRO O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000176852043 823309703 /nfs/dbraw/zinc/30/97/03/823309703.db2.gz ICJUXBCJTYCVOU-UHFFFAOYSA-N 1 0 386.923 4.141 20 0 GIADRO O=C(c1ccccc1)C1CC[NH+](C[C@H](O)COc2cccc3ccccc32)CC1 ZINC000011343234 818074053 /nfs/dbraw/zinc/07/40/53/818074053.db2.gz IRZQSIAPAHHVKD-QFIPXVFZSA-N 1 0 389.495 4.174 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)N(CCC(F)(F)F)CC1CC1 ZINC000176852871 823310139 /nfs/dbraw/zinc/31/01/39/823310139.db2.gz MZXRQZMWUBCQLF-UHFFFAOYSA-N 1 0 383.458 4.025 20 0 GIADRO CCOC1CC(CC(=O)N(c2cccc(SC)c2)C2CC[NH+](C)CC2)C1 ZINC000188810516 823310501 /nfs/dbraw/zinc/31/05/01/823310501.db2.gz QXAQHKAMZGELBH-UHFFFAOYSA-N 1 0 376.566 4.041 20 0 GIADRO Cc1cccc([C@H](NC(=O)N2CCC(OCCC[NH+](C)C)CC2)C(C)(C)C)c1 ZINC000176854291 823310605 /nfs/dbraw/zinc/31/06/05/823310605.db2.gz CLBMQWUAGREYJI-NRFANRHFSA-N 1 0 389.584 4.225 20 0 GIADRO COc1cc(C[NH2+]CC(C)(C)c2ccc(C(F)(F)F)cc2)cc(OC)c1O ZINC000572268994 823310801 /nfs/dbraw/zinc/31/08/01/823310801.db2.gz XHQTXYHOMVIHDI-UHFFFAOYSA-N 1 0 383.410 4.496 20 0 GIADRO Cc1cccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@@H]2CC[C@@H](O)C2)c1 ZINC000188810844 823310796 /nfs/dbraw/zinc/31/07/96/823310796.db2.gz IJARRBAHFVFYIR-NFBKMPQASA-N 1 0 375.516 4.157 20 0 GIADRO C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@H]2C(=O)NC2CC[NH+](CCc3ccccc3)CC2)o1 ZINC000409801686 823310934 /nfs/dbraw/zinc/31/09/34/823310934.db2.gz QFXYJEADVOGCGL-KDXIVRHGSA-N 1 0 392.543 4.330 20 0 GIADRO C[NH+](C)C1(CNC(=O)c2cc(-c3ccccn3)nc3ccccc32)CCCCC1 ZINC000011563736 818095578 /nfs/dbraw/zinc/09/55/78/818095578.db2.gz ARUAOEWBOLFPQG-UHFFFAOYSA-N 1 0 388.515 4.291 20 0 GIADRO CCCn1c(C(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)cc2ccccc21 ZINC000188817590 823312335 /nfs/dbraw/zinc/31/23/35/823312335.db2.gz SXGMMZMPCMKXQT-UHFFFAOYSA-N 1 0 391.515 4.260 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2sc(C)nc2-c2ccc(C)cc2)[C@H](C)C1 ZINC000122143963 823312669 /nfs/dbraw/zinc/31/26/69/823312669.db2.gz GZQHNYKHDLGGOL-APWZRJJASA-N 1 0 385.577 4.158 20 0 GIADRO C[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@H+](C)C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000122146940 823312898 /nfs/dbraw/zinc/31/28/98/823312898.db2.gz MVOOUPPHMZALSR-RVKKMQEKSA-N 1 0 383.458 4.140 20 0 GIADRO CCc1nc(C)c([C@H](C)[N@H+](C)CCC(=O)N2CCc3sccc3C2)s1 ZINC000122149143 823313083 /nfs/dbraw/zinc/31/30/83/823313083.db2.gz AQOVDPCNTCSALK-AWEZNQCLSA-N 1 0 377.579 4.043 20 0 GIADRO C[C@@H]1C[N@@H+](CCCNC(=O)Nc2ccc3c(c2)oc2ccccc23)C[C@H](C)O1 ZINC000057598370 823313234 /nfs/dbraw/zinc/31/32/34/823313234.db2.gz PRZZDNNINKQNAH-IYBDPMFKSA-N 1 0 381.476 4.207 20 0 GIADRO Cc1ccc(NC(=O)Cc2ccc(C)c(Br)c2)c(C[NH+](C)C)c1 ZINC000188821244 823313277 /nfs/dbraw/zinc/31/32/77/823313277.db2.gz QSSCWAUOIXPNSS-UHFFFAOYSA-N 1 0 375.310 4.309 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000176868862 823313625 /nfs/dbraw/zinc/31/36/25/823313625.db2.gz WEWBHLUQURBJKL-UHFFFAOYSA-N 1 0 397.548 4.146 20 0 GIADRO Cc1ccccc1COc1ccccc1C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC000572287759 823313968 /nfs/dbraw/zinc/31/39/68/823313968.db2.gz KOOJMTYJXZIJSQ-INIZCTEOSA-N 1 0 393.512 4.099 20 0 GIADRO C[NH+](C)CC1(C(=O)Nc2cccc(C[S@](=O)C(C)(C)C)c2)CCCCC1 ZINC000460199553 823314322 /nfs/dbraw/zinc/31/43/22/823314322.db2.gz DBHYKKXEJZDEQZ-SANMLTNESA-N 1 0 378.582 4.184 20 0 GIADRO C[N@H+](Cc1ccc(-c2ccc(C(F)(F)F)cc2)s1)CC1(O)CCOCC1 ZINC000188840703 823315958 /nfs/dbraw/zinc/31/59/58/823315958.db2.gz JMIFZVHLSLOQGH-UHFFFAOYSA-N 1 0 385.451 4.407 20 0 GIADRO COC(=O)C[C@@H]([NH2+]Cc1coc(-c2c(F)cccc2F)n1)C1CCCCC1 ZINC000572324394 823320324 /nfs/dbraw/zinc/32/03/24/823320324.db2.gz WRTGWNRQABCTSS-QGZVFWFLSA-N 1 0 378.419 4.221 20 0 GIADRO CCOc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H]2c2ccc(OCC)cc2)cc1 ZINC000057626746 823316367 /nfs/dbraw/zinc/31/63/67/823316367.db2.gz OJLSSSLKZWABTM-QHCPKHFHSA-N 1 0 396.531 4.280 20 0 GIADRO CN(Cc1cccc(O)c1)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000057634804 823316851 /nfs/dbraw/zinc/31/68/51/823316851.db2.gz KKZKNJWNLLHNLI-UHFFFAOYSA-N 1 0 381.520 4.110 20 0 GIADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1cc(O)ccc1C(F)(F)F ZINC000188848588 823316861 /nfs/dbraw/zinc/31/68/61/823316861.db2.gz OBHXPLRBHBYCON-HNNXBMFYSA-N 1 0 384.423 4.039 20 0 GIADRO Cc1ccc(SCCC(=O)Nc2ccccc2N2CC[NH+](C)CC2)cc1C ZINC000012564298 818167077 /nfs/dbraw/zinc/16/70/77/818167077.db2.gz GAYAUDHMIMRSNF-UHFFFAOYSA-N 1 0 383.561 4.176 20 0 GIADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)NCc1cc2ccccc2[nH]1 ZINC000057645836 823318262 /nfs/dbraw/zinc/31/82/62/823318262.db2.gz TWOKYQPNRSNHEA-UHFFFAOYSA-N 1 0 384.549 4.283 20 0 GIADRO Cc1oc(-c2ccccc2)nc1C[N@@H+]1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000122187258 823318573 /nfs/dbraw/zinc/31/85/73/823318573.db2.gz FQSOVRMLXLROQQ-IBGZPJMESA-N 1 0 390.487 4.204 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)c2scnc2C(C)(C)C)[C@H]1c1cccs1 ZINC000176898858 823320272 /nfs/dbraw/zinc/32/02/72/823320272.db2.gz PDKNWAQEZWZREL-HIFRSBDPSA-N 1 0 377.579 4.315 20 0 GIADRO CC[C@H](C)c1ccc(S(=O)(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000013947046 818216656 /nfs/dbraw/zinc/21/66/56/818216656.db2.gz PEFLLYKYHCPBNW-SFHVURJKSA-N 1 0 386.561 4.143 20 0 GIADRO C[N@@H+](Cc1c(-c2ccccc2)nc2sccn12)C[C@@H]1COc2ccccc2O1 ZINC000014214518 818228791 /nfs/dbraw/zinc/22/87/91/818228791.db2.gz SSKZJGGEPFUHRP-QGZVFWFLSA-N 1 0 391.496 4.335 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)COc1ccc(Oc2ccccc2)cc1)c1cccs1 ZINC000014395463 818241651 /nfs/dbraw/zinc/24/16/51/818241651.db2.gz HROZYADEYVINBB-FQEVSTJZSA-N 1 0 396.512 4.338 20 0 GIADRO C[N@H+](CC(=O)N(Cc1ccccc1)c1nc2c(s1)CCCC2)C1CCCC1 ZINC000014703288 818259811 /nfs/dbraw/zinc/25/98/11/818259811.db2.gz NEXPRKWQRAELGM-UHFFFAOYSA-N 1 0 383.561 4.430 20 0 GIADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000409845793 823323761 /nfs/dbraw/zinc/32/37/61/823323761.db2.gz RYCTYJYEDJJUST-VPWXQRGCSA-N 1 0 396.934 4.041 20 0 GIADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000409845791 823323922 /nfs/dbraw/zinc/32/39/22/823323922.db2.gz RYCTYJYEDJJUST-MDYRTPRTSA-N 1 0 396.934 4.041 20 0 GIADRO CC1=CC[N@H+](CCNC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)CC1 ZINC000460230117 823324510 /nfs/dbraw/zinc/32/45/10/823324510.db2.gz PSIVEUGPHQSZBR-UHFFFAOYSA-N 1 0 381.442 4.031 20 0 GIADRO C[C@@H](CNC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1)[N@H+](C)C1CC1 ZINC000057715262 823324602 /nfs/dbraw/zinc/32/46/02/823324602.db2.gz HIKHJGRPVIBOBJ-INIZCTEOSA-N 1 0 375.472 4.221 20 0 GIADRO COc1ccc([C@@H](CNC(=O)Nc2ccc3c(c2)CCN3)[NH+]2CCCCC2)cc1 ZINC000572345472 823324880 /nfs/dbraw/zinc/32/48/80/823324880.db2.gz MLFYESZABHNMFT-JOCHJYFZSA-N 1 0 394.519 4.012 20 0 GIADRO C[NH+](C)Cc1ccnc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)c1 ZINC000176923258 823325300 /nfs/dbraw/zinc/32/53/00/823325300.db2.gz DBAKDHNTSWQCKT-UHFFFAOYSA-N 1 0 397.482 4.248 20 0 GIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cnc(-c3ccccc3)s2)C1 ZINC000409850031 823325674 /nfs/dbraw/zinc/32/56/74/823325674.db2.gz RPXDCHHJRMQPPX-LPHOPBHVSA-N 1 0 377.513 4.375 20 0 GIADRO FC(F)(F)c1ccc(C[NH+]2CCN(c3ncnc4sccc43)CC2)cc1 ZINC000015115757 818291365 /nfs/dbraw/zinc/29/13/65/818291365.db2.gz VYRFADPSNSFIPW-UHFFFAOYSA-N 1 0 378.423 4.032 20 0 GIADRO Brc1cccc(-c2ccc(C[NH2+]CCc3nnc4ccccn43)o2)c1 ZINC000015185292 818297852 /nfs/dbraw/zinc/29/78/52/818297852.db2.gz YACWDPZVELMBQZ-UHFFFAOYSA-N 1 0 397.276 4.084 20 0 GIADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000460237672 823327135 /nfs/dbraw/zinc/32/71/35/823327135.db2.gz VLFHHSBSQWCPDW-ZDUSSCGKSA-N 1 0 375.847 4.280 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1oc(CC(C)C)nc1C ZINC000188913061 823327458 /nfs/dbraw/zinc/32/74/58/823327458.db2.gz AIBSGDOVRPIHNC-FQEVSTJZSA-N 1 0 383.536 4.166 20 0 GIADRO CC(C)C[NH+]1CCC(NC(=O)Nc2ccc(Cl)cc2OC(F)F)CC1 ZINC000460239209 823327594 /nfs/dbraw/zinc/32/75/94/823327594.db2.gz RKPJKOQJNSPKMO-UHFFFAOYSA-N 1 0 375.847 4.183 20 0 GIADRO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)NCCCSc2ccccc2)cc1 ZINC000015300735 818309339 /nfs/dbraw/zinc/30/93/39/818309339.db2.gz HGPMZBBWKJHUOB-NRFANRHFSA-N 1 0 384.545 4.131 20 0 GIADRO CCCOc1ccc(-c2nc(C(=O)Nc3cc(C[NH+](C)C)ccn3)cs2)cc1 ZINC000176933486 823327890 /nfs/dbraw/zinc/32/78/90/823327890.db2.gz PDCSEMIQBGHIBN-UHFFFAOYSA-N 1 0 396.516 4.308 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCOc2c(Br)cccc21)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000409858094 823328163 /nfs/dbraw/zinc/32/81/63/823328163.db2.gz MWDIEIWQEYYHEI-QDEZUTFSSA-N 1 0 395.341 4.040 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)CSc3ccc(C)c(C)c3)cc2)CC1 ZINC000015415049 818323446 /nfs/dbraw/zinc/32/34/46/818323446.db2.gz PNQBQPOUSFQQRK-UHFFFAOYSA-N 1 0 383.561 4.176 20 0 GIADRO Cc1ccc(C[N@H+](CCc2ccccc2)Cc2cc(=O)n3ccsc3n2)s1 ZINC000015523009 818333999 /nfs/dbraw/zinc/33/39/99/818333999.db2.gz KNWDWDPFUINZGD-UHFFFAOYSA-N 1 0 395.553 4.371 20 0 GIADRO CC(C)[C@@H]([NH2+]CCC(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1 ZINC000015550600 818337756 /nfs/dbraw/zinc/33/77/56/818337756.db2.gz UKCITNXUQIPNCC-HSZRJFAPSA-N 1 0 397.494 4.268 20 0 GIADRO CCCn1c(C)c(C(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)c2cc(OC)ccc21 ZINC000122282908 823332142 /nfs/dbraw/zinc/33/21/42/823332142.db2.gz YAZGLUMAQJCKFM-OXJNMPFZSA-N 1 0 385.552 4.171 20 0 GIADRO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1ccccc1Br ZINC000015647361 818354360 /nfs/dbraw/zinc/35/43/60/818354360.db2.gz QSEPGGQCUPIYOB-UHFFFAOYSA-N 1 0 379.342 4.368 20 0 GIADRO COc1ccc([C@@H](CNC(=O)Nc2ccc(OC(C)C)cc2)[NH+]2CCCC2)cc1 ZINC000057772891 823330476 /nfs/dbraw/zinc/33/04/76/823330476.db2.gz ROOZASRFPWLSFG-JOCHJYFZSA-N 1 0 397.519 4.441 20 0 GIADRO COc1ccc(CN(C)C(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2SC)cc1F ZINC000409868594 823330914 /nfs/dbraw/zinc/33/09/14/823330914.db2.gz NFGQMZBENXMCMJ-HUUCEWRRSA-N 1 0 390.524 4.254 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)Nc1ccc(Cl)cc1OC(F)F ZINC000460259856 823333459 /nfs/dbraw/zinc/33/34/59/823333459.db2.gz OZRSPUZPTIBLON-CQSZACIVSA-N 1 0 399.825 4.493 20 0 GIADRO C[C@H](C(=O)NCc1ccc(C[NH+](C)C)c(F)c1)c1ccc(C(F)(F)F)cc1 ZINC000409878892 823334075 /nfs/dbraw/zinc/33/40/75/823334075.db2.gz PKOIRBYOGHQERX-ZDUSSCGKSA-N 1 0 382.401 4.326 20 0 GIADRO O=C(NC1CC1)[C@H](c1ccccc1)[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000057799332 823334224 /nfs/dbraw/zinc/33/42/24/823334224.db2.gz GPKUHMSQGVVIPQ-NRFANRHFSA-N 1 0 391.540 4.496 20 0 GIADRO COc1ccc([C@H](C[NH2+]Cc2cccc(Cl)c2Cl)N2CCOCC2)cc1 ZINC000057801112 823334466 /nfs/dbraw/zinc/33/44/66/823334466.db2.gz VDAKMPTWBMCTLV-IBGZPJMESA-N 1 0 395.330 4.165 20 0 GIADRO CCOc1c(Cl)cc(C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccccc2)cc1OC ZINC000572412880 823334784 /nfs/dbraw/zinc/33/47/84/823334784.db2.gz BLBGBFAUWLYFBA-DYESRHJHSA-N 1 0 375.896 4.003 20 0 GIADRO CCOc1c(Cl)cc(C[NH2+]C[C@@]2(CO)C[C@H]2c2ccccc2)cc1OC ZINC000572412881 823334861 /nfs/dbraw/zinc/33/48/61/823334861.db2.gz BLBGBFAUWLYFBA-LAUBAEHRSA-N 1 0 375.896 4.003 20 0 GIADRO COc1cccc([C@H](CNC(=S)Nc2c(C)cccc2C)[NH+]2CCCC2)c1 ZINC000016244969 818410969 /nfs/dbraw/zinc/41/09/69/818410969.db2.gz RJOPWVVJCRCRMY-FQEVSTJZSA-N 1 0 383.561 4.436 20 0 GIADRO CCOc1ccc(NC(=O)C[N@H+](C)[C@H]2CCCc3ccccc32)cc1OCC ZINC000016342676 818426644 /nfs/dbraw/zinc/42/66/44/818426644.db2.gz HHPMLPNAYFJRPC-FQEVSTJZSA-N 1 0 382.504 4.432 20 0 GIADRO Cn1cc(C[N@@H+]2CC3(CCC3)[C@@H]2C2CC2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000572417749 823336027 /nfs/dbraw/zinc/33/60/27/823336027.db2.gz IWUSCZIRKOFHCS-QFIPXVFZSA-N 1 0 379.504 4.013 20 0 GIADRO COCCCN(C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)C1CC[NH+](C)CC1 ZINC000572419210 823336496 /nfs/dbraw/zinc/33/64/96/823336496.db2.gz FFEOLYAVSYNVFF-QZTJIDSGSA-N 1 0 399.362 4.056 20 0 GIADRO COc1ccc2cc([C@H](C)C(=O)NC[C@H](c3ccccc3)[NH+](C)C)ccc2c1 ZINC000016599530 818459072 /nfs/dbraw/zinc/45/90/72/818459072.db2.gz NLVFUGPSYUZNBS-GAJHUEQPSA-N 1 0 376.500 4.371 20 0 GIADRO O=C(Nc1cccc(C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)c1)C1CCC1 ZINC000189019683 823342974 /nfs/dbraw/zinc/34/29/74/823342974.db2.gz GWAWPXBCRHTOLG-UHFFFAOYSA-N 1 0 392.478 4.099 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1cc(F)c(Cl)nc1Cl ZINC000057827539 823338506 /nfs/dbraw/zinc/33/85/06/823338506.db2.gz WVAIJJZPXQZNKW-UHFFFAOYSA-N 1 0 396.293 4.443 20 0 GIADRO Cc1nc([C@H]2CCCN2C(=O)Nc2ccc(C)cc2OCC[NH+](C)C)cs1 ZINC000188986554 823338502 /nfs/dbraw/zinc/33/85/02/823338502.db2.gz VQDIKCZYRWFAHX-GOSISDBHSA-N 1 0 388.537 4.069 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc(Br)cc1 ZINC000016783902 818477429 /nfs/dbraw/zinc/47/74/29/818477429.db2.gz MTIAVIXQMZUDQZ-UHFFFAOYSA-N 1 0 375.310 4.221 20 0 GIADRO COCc1nc2scc(-c3ccccc3)c2c(N2CCC([NH2+]C(C)C)CC2)n1 ZINC000057838267 823339842 /nfs/dbraw/zinc/33/98/42/823339842.db2.gz IOZYOOYGRPPVQQ-UHFFFAOYSA-N 1 0 396.560 4.472 20 0 GIADRO CCc1ccc2c(C[N@H+](C)[C@H](C)c3ccc(-n4cncn4)cc3)cc(=O)oc2c1 ZINC000017306003 818506812 /nfs/dbraw/zinc/50/68/12/818506812.db2.gz DEUDBQZMJPHQQL-MRXNPFEDSA-N 1 0 388.471 4.129 20 0 GIADRO Cc1c(O)ccc2c(C[N@@H+](Cc3cccs3)C[C@@H]3CCCO3)cc(=O)oc12 ZINC000017308104 818507102 /nfs/dbraw/zinc/50/71/02/818507102.db2.gz DLPMOQSJBLXARB-INIZCTEOSA-N 1 0 385.485 4.050 20 0 GIADRO C[C@H]([NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1)c1ccc(-n2cccn2)cc1 ZINC000122343165 823341289 /nfs/dbraw/zinc/34/12/89/823341289.db2.gz YRSUEOKXHXZSGB-IBGZPJMESA-N 1 0 389.547 4.258 20 0 GIADRO COc1ccc(C(=O)Nc2cccc(C[NH2+]Cc3cccc(OC)c3)c2)cc1 ZINC000017311900 818507873 /nfs/dbraw/zinc/50/78/73/818507873.db2.gz KAYLGFHQRONWLI-UHFFFAOYSA-N 1 0 376.456 4.246 20 0 GIADRO Fc1ccccc1-c1ccc(C[NH2+]C[C@H]2CN(Cc3ccccc3)CCO2)o1 ZINC000017312405 818508707 /nfs/dbraw/zinc/50/87/07/818508707.db2.gz NVQZUXKDMYUBCZ-FQEVSTJZSA-N 1 0 380.463 4.076 20 0 GIADRO Cc1ccc(OCc2nc(C[NH2+][C@H](CO)Cc3cccc(C)c3)cs2)cc1 ZINC000189007576 823341546 /nfs/dbraw/zinc/34/15/46/823341546.db2.gz CVYQQGUXMRKZSL-IBGZPJMESA-N 1 0 382.529 4.032 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1cccc(-n2cccn2)c1 ZINC000057862933 823343309 /nfs/dbraw/zinc/34/33/09/823343309.db2.gz QNIGUVLOAMJXRH-UHFFFAOYSA-N 1 0 377.492 4.036 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(C(=O)c3ccccc3)c2)C1 ZINC000176984299 823342430 /nfs/dbraw/zinc/34/24/30/823342430.db2.gz HPUNGZBNNROLMQ-SFHVURJKSA-N 1 0 379.504 4.113 20 0 GIADRO Cc1ccc(C(=O)C2CCN(C(=O)NC[C@]3([NH+](C)C)CCC[C@@H](C)C3)CC2)cc1 ZINC000057858130 823342623 /nfs/dbraw/zinc/34/26/23/823342623.db2.gz WVILJQSAMZNQJR-DVECYGJZSA-N 1 0 399.579 4.110 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1cc2c(s1)-c1ccccc1OC2)c1cccs1 ZINC000017796009 818527733 /nfs/dbraw/zinc/52/77/33/818527733.db2.gz NZBDVOGPMWOWEA-HNNXBMFYSA-N 1 0 384.526 4.402 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1cccc(-n2cccn2)c1)c1ccccc1 ZINC000057862390 823342718 /nfs/dbraw/zinc/34/27/18/823342718.db2.gz CJYFHJLTNKKJNH-NRFANRHFSA-N 1 0 377.492 4.077 20 0 GIADRO CCN(CC)C(=O)c1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(Cl)cc2)cc1 ZINC000057876847 823343970 /nfs/dbraw/zinc/34/39/70/823343970.db2.gz SXUFOHOKSOJNGV-OAHLLOKOSA-N 1 0 387.911 4.111 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@H]2CCN(Cc3ccc(F)cc3)C2=O)ccc1SC ZINC000189034346 823345313 /nfs/dbraw/zinc/34/53/13/823345313.db2.gz NZBMYGZOKQQGIG-KDOFPFPSSA-N 1 0 388.508 4.008 20 0 GIADRO COc1ccc([C@H](CNC(=O)Nc2ccccc2OC)[NH+]2CCCCC2)cc1 ZINC000018177066 818554544 /nfs/dbraw/zinc/55/45/44/818554544.db2.gz SKDONTFHTVHSLX-FQEVSTJZSA-N 1 0 383.492 4.053 20 0 GIADRO CSc1ccc([C@@H](C)[NH2+][C@@H]2CCN(Cc3ccc(F)cc3)C2=O)cc1F ZINC000189034503 823345608 /nfs/dbraw/zinc/34/56/08/823345608.db2.gz TZUGBBYZDUUSIR-FZKQIMNGSA-N 1 0 376.472 4.138 20 0 GIADRO C[C@@H](Oc1ccccc1NC(=O)N1CCC([NH+]2CCCCC2)CC1)C(F)(F)F ZINC000572470694 823345915 /nfs/dbraw/zinc/34/59/15/823345915.db2.gz QKEMOJHWRBTQRM-OAHLLOKOSA-N 1 0 399.457 4.498 20 0 GIADRO O=C(COc1cc(Cl)ccc1Cl)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000018356579 818566413 /nfs/dbraw/zinc/56/64/13/818566413.db2.gz KQWSYEUAYQFSSX-UHFFFAOYSA-N 1 0 393.314 4.153 20 0 GIADRO COc1cc(C)c([C@@H](C)[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)cc1OC ZINC000189042238 823347059 /nfs/dbraw/zinc/34/70/59/823347059.db2.gz LKRMWTUFMQVNCL-MRXNPFEDSA-N 1 0 383.467 4.247 20 0 GIADRO C[C@H](c1cccc(NC(=O)CC[C@H]([NH3+])CC2CCCCC2)c1)N1CCOCC1 ZINC000572479753 823347271 /nfs/dbraw/zinc/34/72/71/823347271.db2.gz IDRPIBKFSVHGDM-NQIIRXRSSA-N 1 0 387.568 4.096 20 0 GIADRO CCc1ccccc1NC(=S)NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000018925435 818580857 /nfs/dbraw/zinc/58/08/57/818580857.db2.gz LCSAKIXKJFRTIW-HXUWFJFHSA-N 1 0 383.561 4.381 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)NC[C@@H](c2ccccc2)C(F)(F)F)CC1 ZINC000189046771 823347598 /nfs/dbraw/zinc/34/75/98/823347598.db2.gz QPICRBQQWLDXLJ-IBGZPJMESA-N 1 0 399.501 4.486 20 0 GIADRO CCCC(=O)Nc1cccc(C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)c1 ZINC000189047181 823347891 /nfs/dbraw/zinc/34/78/91/823347891.db2.gz DDAGYKBLJSYTEQ-UHFFFAOYSA-N 1 0 380.467 4.099 20 0 GIADRO CN(CCOc1ccccc1)Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1 ZINC000019530278 818593099 /nfs/dbraw/zinc/59/30/99/818593099.db2.gz RXKMQAMAXCBRND-UHFFFAOYSA-N 1 0 391.496 4.162 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)c3ocnc3-c3ccccc3)C2)s1 ZINC000572489079 823348386 /nfs/dbraw/zinc/34/83/86/823348386.db2.gz BQFBJQXGGCTMMV-KRWDZBQOSA-N 1 0 395.528 4.306 20 0 GIADRO CC[S@@](=O)c1ccccc1C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000122421363 823351590 /nfs/dbraw/zinc/35/15/90/823351590.db2.gz XJWOAHYPIPDISS-NDEPHWFRSA-N 1 0 398.572 4.120 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(NC(=O)C2CCC2)c1)c1ccc(N2CCOC2=O)cc1 ZINC000122423009 823351963 /nfs/dbraw/zinc/35/19/63/823351963.db2.gz KIXWNCOCIWGDAW-MRXNPFEDSA-N 1 0 393.487 4.233 20 0 GIADRO CC[C@@H](C)C(=O)Nc1cccc(C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)c1 ZINC000189069867 823351931 /nfs/dbraw/zinc/35/19/31/823351931.db2.gz NFCOQJRCULSZTL-QGZVFWFLSA-N 1 0 394.494 4.345 20 0 GIADRO C[C@@H](CCNC(=O)c1c(F)cccc1Br)[N@H+](C)Cc1ccccc1 ZINC000177023782 823352026 /nfs/dbraw/zinc/35/20/26/823352026.db2.gz MHBDBVKCVBWBCF-AWEZNQCLSA-N 1 0 393.300 4.229 20 0 GIADRO Cc1cc(C[NH2+][C@@H]2CCN(CC(F)(F)F)C2)cc(C)c1OCc1ccccn1 ZINC000057975676 823352305 /nfs/dbraw/zinc/35/23/05/823352305.db2.gz PQPKMYYUOVUGJO-GOSISDBHSA-N 1 0 393.453 4.004 20 0 GIADRO CCOc1ccccc1NC(=O)[C@@H](SCC1CC[NH2+]CC1)c1ccccc1 ZINC000572518333 823352404 /nfs/dbraw/zinc/35/24/04/823352404.db2.gz NFXCEMWPNHWWBP-NRFANRHFSA-N 1 0 384.545 4.498 20 0 GIADRO [NH3+][C@@H](CCC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1)CC1CCCCC1 ZINC000572517303 823352490 /nfs/dbraw/zinc/35/24/90/823352490.db2.gz KUDJUVQQDPTSDP-IBGZPJMESA-N 1 0 382.552 4.347 20 0 GIADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Nc1cc(Br)c(F)cc1F ZINC000189077190 823352992 /nfs/dbraw/zinc/35/29/92/823352992.db2.gz MXQBCIZFYLWRBU-LLVKDONJSA-N 1 0 390.272 4.065 20 0 GIADRO Cc1ccc(CN2CC[C@@H]([NH2+][C@H]3CC4(CCC4)Oc4ccccc43)C2=O)cc1 ZINC000189075452 823353047 /nfs/dbraw/zinc/35/30/47/823353047.db2.gz MMSLIUIHJOMWGG-RTWAWAEBSA-N 1 0 376.500 4.132 20 0 GIADRO C[NH+](C)CCn1ccc2ccc(NC(=O)c3cc(O)ccc3C(F)(F)F)cc21 ZINC000189078026 823353285 /nfs/dbraw/zinc/35/32/85/823353285.db2.gz FIXVKZGMXYYLGB-UHFFFAOYSA-N 1 0 391.393 4.180 20 0 GIADRO COCCCOC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000122438945 823354041 /nfs/dbraw/zinc/35/40/41/823354041.db2.gz HSEAKTOKUYEXJX-IBGZPJMESA-N 1 0 396.531 4.198 20 0 GIADRO CC[C@@H]([NH2+]Cc1cccc(NC(=O)C2CCC2)c1)c1ccc2c(c1)OCCO2 ZINC000122439957 823354291 /nfs/dbraw/zinc/35/42/91/823354291.db2.gz ZKONWRGYOMPHCX-HXUWFJFHSA-N 1 0 380.488 4.437 20 0 GIADRO C[C@@H](CC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)c1ccc(Br)cc1 ZINC000122440195 823354399 /nfs/dbraw/zinc/35/43/99/823354399.db2.gz LCBILEGBBVEJHC-DLBZAZTESA-N 1 0 393.369 4.277 20 0 GIADRO CC(C)CC(=O)Nc1cccc(C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)c1 ZINC000189083987 823354639 /nfs/dbraw/zinc/35/46/39/823354639.db2.gz GHLIFGJBFXIUFE-UHFFFAOYSA-N 1 0 394.494 4.345 20 0 GIADRO COc1ccc(C[C@@H](CO)C[NH2+]C2CCC(C)(c3ccccc3)CC2)cc1O ZINC000572527116 823354785 /nfs/dbraw/zinc/35/47/85/823354785.db2.gz TYXANNJHPVLSRQ-JVIIGWRGSA-N 1 0 383.532 4.042 20 0 GIADRO O=C1C[C@@H](C[NH2+][C@H](c2ccc(F)cc2)c2cnc3ccccc3c2)CN1C1CC1 ZINC000572531909 823355511 /nfs/dbraw/zinc/35/55/11/823355511.db2.gz OKWISSMJKCYXAG-UPCLLVRISA-N 1 0 389.474 4.064 20 0 GIADRO FC(F)(F)c1csc([C@@H]2CCC[N@H+](CCCO[C@@H]3CCCCO3)C2)n1 ZINC000572499781 823349955 /nfs/dbraw/zinc/34/99/55/823349955.db2.gz DFKIFNRXYIWMKK-UKRRQHHQSA-N 1 0 378.460 4.275 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccc2ccccc2c1O ZINC000189060354 823350334 /nfs/dbraw/zinc/35/03/34/823350334.db2.gz YJUXAMPNOQYSFK-YCRPNKLZSA-N 1 0 378.447 4.136 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Cc1ccc(Cl)cc1Cl ZINC000021319106 818674461 /nfs/dbraw/zinc/67/44/61/818674461.db2.gz JBLLGQMKRVGWQL-UHFFFAOYSA-N 1 0 392.330 4.235 20 0 GIADRO CN(C(=O)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000572504499 823350716 /nfs/dbraw/zinc/35/07/16/823350716.db2.gz TZTNIDKTAALQAX-GPXNEJASSA-N 1 0 396.506 4.017 20 0 GIADRO CC(=O)Nc1ccc(C)c(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000177019590 823350667 /nfs/dbraw/zinc/35/06/67/823350667.db2.gz NFTQRPSXYPWJAJ-UTKZUKDTSA-N 1 0 394.519 4.128 20 0 GIADRO CC[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cccc2ccccc21 ZINC000021580914 818707957 /nfs/dbraw/zinc/70/79/57/818707957.db2.gz ZQAVAVLZUQONST-UHFFFAOYSA-N 1 0 376.456 4.072 20 0 GIADRO CCS[C@@H]1CC[C@@H](N(C)C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000122457445 823357233 /nfs/dbraw/zinc/35/72/33/823357233.db2.gz BCLZKICJYGCEPD-NHCUHLMSSA-N 1 0 389.609 4.275 20 0 GIADRO CC(C)c1c(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cnn1-c1ccc(Cl)cc1 ZINC000177043634 823357945 /nfs/dbraw/zinc/35/79/45/823357945.db2.gz HTGMSAGQXQQLLL-GOEBONIOSA-N 1 0 386.927 4.004 20 0 GIADRO C[C@H]1CN(C(=O)N[C@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)CCC1(F)F ZINC000460339978 823358293 /nfs/dbraw/zinc/35/82/93/823358293.db2.gz QYRKCHAYXQJJAM-QFBILLFUSA-N 1 0 393.522 4.146 20 0 GIADRO COCc1cccc(NC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000058058658 823358303 /nfs/dbraw/zinc/35/83/03/823358303.db2.gz CIJUCURCXYZGAZ-UHFFFAOYSA-N 1 0 387.911 4.273 20 0 GIADRO C[C@@H]1CN(C)c2ccccc2N(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000460342973 823358897 /nfs/dbraw/zinc/35/88/97/823358897.db2.gz KBWOPNMJFGJWNI-LJQANCHMSA-N 1 0 377.532 4.405 20 0 GIADRO O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)c1cc2cc(Cl)sc2[nH]1 ZINC000572549607 823359078 /nfs/dbraw/zinc/35/90/78/823359078.db2.gz VXBXFMVSOQFHBE-UHFFFAOYSA-N 1 0 389.908 4.092 20 0 GIADRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2sc(-c3cccc(Cl)c3)nc2C)C1 ZINC000409973474 823359200 /nfs/dbraw/zinc/35/92/00/823359200.db2.gz FETCZDWEBNAGLC-AWEZNQCLSA-N 1 0 377.941 4.234 20 0 GIADRO Cc1ccc(NC(=O)CNC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)c(Cl)c1 ZINC000460343758 823359181 /nfs/dbraw/zinc/35/91/81/823359181.db2.gz RJJFBUJOZNILGD-ROUUACIJSA-N 1 0 399.966 4.333 20 0 GIADRO COc1cccc(NC(=O)[C@@H]([NH2+]CCOc2cccc(C)c2)c2ccccc2)c1 ZINC000021792509 818737861 /nfs/dbraw/zinc/73/78/61/818737861.db2.gz FLFHJDZZNVQQLA-QHCPKHFHSA-N 1 0 390.483 4.352 20 0 GIADRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCC(=O)Nc1ccc(Cl)cc1 ZINC000460346083 823359871 /nfs/dbraw/zinc/35/98/71/823359871.db2.gz FNWSUYYFUSIJGD-IAGOWNOFSA-N 1 0 385.939 4.025 20 0 GIADRO Cc1c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)cnn1C1CCCCC1 ZINC000572554425 823360039 /nfs/dbraw/zinc/36/00/39/823360039.db2.gz WPZLLTRVRHQLCN-GCJKJVERSA-N 1 0 380.536 4.090 20 0 GIADRO CC(C)OCC[NH+]1CCC(NC(=O)Nc2ccc(-c3ccccc3)cc2)CC1 ZINC000177052308 823360197 /nfs/dbraw/zinc/36/01/97/823360197.db2.gz JWTTVFITHPHQOJ-UHFFFAOYSA-N 1 0 381.520 4.365 20 0 GIADRO CCC[N@H+](CC(=O)Nc1ccc(Br)cc1F)Cc1ccccc1 ZINC000021918366 818755708 /nfs/dbraw/zinc/75/57/08/818755708.db2.gz RFWJKHIGTWNQHS-UHFFFAOYSA-N 1 0 379.273 4.439 20 0 GIADRO C[C@H](Oc1ccccc1NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)C(F)(F)F ZINC000572559228 823360885 /nfs/dbraw/zinc/36/08/85/823360885.db2.gz APFVWCURHAACGK-LSDHHAIUSA-N 1 0 385.430 4.108 20 0 GIADRO CS[C@H]1CN(Cc2nc(C)c(-c3ccc(Cl)cc3)o2)C[C@@H]1[NH+]1CCCC1 ZINC000460355165 823362349 /nfs/dbraw/zinc/36/23/49/823362349.db2.gz KSGSOXUPLKJQHX-ROUUACIJSA-N 1 0 391.968 4.315 20 0 GIADRO COc1ccc([C@H](C)CC(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1 ZINC000177065647 823362785 /nfs/dbraw/zinc/36/27/85/823362785.db2.gz FPBDMCGAFMYDKM-CDMIOBSGSA-N 1 0 386.561 4.450 20 0 GIADRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCC(=O)Nc1cccc(Cl)c1 ZINC000460357972 823363107 /nfs/dbraw/zinc/36/31/07/823363107.db2.gz JMBXAMPWCIWXCF-IRXDYDNUSA-N 1 0 385.939 4.025 20 0 GIADRO COc1cc(C(=O)NCc2ccccc2C[NH+]2CCCC2)ccc1OC(C)C ZINC000058135943 823364285 /nfs/dbraw/zinc/36/42/85/823364285.db2.gz QMWYMEYLDZRGIA-UHFFFAOYSA-N 1 0 382.504 4.008 20 0 GIADRO COc1ccc(NC(=O)c2nnc(C[NH2+][C@H]3CCCC[C@@H]3C(C)C)s2)cc1 ZINC000460364009 823364304 /nfs/dbraw/zinc/36/43/04/823364304.db2.gz QLSKESWXDLQZFW-SJORKVTESA-N 1 0 388.537 4.103 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+]CCC(=O)N2CCc3ccccc3C2)cc1OCC ZINC000189151169 823365785 /nfs/dbraw/zinc/36/57/85/823365785.db2.gz HOYFSZMIYGJRQV-GOSISDBHSA-N 1 0 396.531 4.110 20 0 GIADRO CC1(C(=O)N2C[C@@H]3CCC(=O)c4cccc2c43)CC[NH+](Cc2ccccc2)CC1 ZINC000189150835 823365812 /nfs/dbraw/zinc/36/58/12/823365812.db2.gz LCXJIMPFSLANMH-IBGZPJMESA-N 1 0 388.511 4.396 20 0 GIADRO CSC1(CNC(=O)NCCc2cccc(-c3ccccc3)c2)CC[NH+](C)CC1 ZINC000460368206 823365846 /nfs/dbraw/zinc/36/58/46/823365846.db2.gz XWCKMBIJJSQTMV-UHFFFAOYSA-N 1 0 397.588 4.023 20 0 GIADRO O[C@@H](COc1ccc(Oc2ccccc2)cc1)C[N@@H+]1CCc2sccc2C1 ZINC000022549883 818824059 /nfs/dbraw/zinc/82/40/59/818824059.db2.gz YONFYPRJDLFKBD-GOSISDBHSA-N 1 0 381.497 4.338 20 0 GIADRO C[NH+](C)CCCOC1CCN(C(=O)CSc2ccc(C(C)(C)C)cc2)CC1 ZINC000177081897 823366452 /nfs/dbraw/zinc/36/64/52/823366452.db2.gz AVHHFSRVZVCTOY-UHFFFAOYSA-N 1 0 392.609 4.036 20 0 GIADRO CC(C)[NH+]1CCC(N(C)S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1 ZINC000058172014 823366602 /nfs/dbraw/zinc/36/66/02/823366602.db2.gz AUTWKLRWBZVDII-UHFFFAOYSA-N 1 0 378.582 4.228 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000409996406 823366550 /nfs/dbraw/zinc/36/65/50/823366550.db2.gz FFGJSIXKNZUIIZ-HNNXBMFYSA-N 1 0 375.513 4.108 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1ccc(NC(=O)c2cccs2)cc1)c1cccs1 ZINC000022646193 818836720 /nfs/dbraw/zinc/83/67/20/818836720.db2.gz CKJGYDTWOQBDSS-INIZCTEOSA-N 1 0 399.541 4.095 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)Cc1ccc2ccccc2c1)[NH+]1CCCC1 ZINC000022679649 818842431 /nfs/dbraw/zinc/84/24/31/818842431.db2.gz XYUGLCRGWNXYPL-HSZRJFAPSA-N 1 0 388.511 4.344 20 0 GIADRO CCCCOc1ccc(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)cc1OC ZINC000022682382 818842795 /nfs/dbraw/zinc/84/27/95/818842795.db2.gz QCUXGZCSYHNRFP-IBGZPJMESA-N 1 0 388.483 4.046 20 0 GIADRO CC(C)c1ccc(/C=C/CC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000122533003 823368241 /nfs/dbraw/zinc/36/82/41/823368241.db2.gz VKAKDAALMNLMKY-FLZAOOQOSA-N 1 0 384.564 4.097 20 0 GIADRO O=C(Nc1ccccc1N1CCCC1=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000022748347 818855404 /nfs/dbraw/zinc/85/54/04/818855404.db2.gz JRLKVXVEQFYLOX-UHFFFAOYSA-N 1 0 377.488 4.052 20 0 GIADRO CCOc1cc(C[NH2+][C@@H](CC)c2ccc(C)cc2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000022778320 818860051 /nfs/dbraw/zinc/86/00/51/818860051.db2.gz LPDSVPFZLYTTCW-RXVVDRJESA-N 1 0 398.547 4.490 20 0 GIADRO C[C@H]1C[C@H](NC(=O)Nc2ccc(-c3cc[nH]n3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000177092284 823369215 /nfs/dbraw/zinc/36/92/15/823369215.db2.gz LQGGRRQSKDCZFE-LAUBAEHRSA-N 1 0 389.503 4.251 20 0 GIADRO Cc1ccc2c(C[N@@H+]3CCCN(Cc4ccc(F)cc4)CC3)cc(=O)oc2c1C ZINC000022837147 818865903 /nfs/dbraw/zinc/86/59/03/818865903.db2.gz RNCMWTVFYKOHJA-UHFFFAOYSA-N 1 0 394.490 4.257 20 0 GIADRO CCc1ccc([C@H](CNC(=O)c2occc2COc2ccccc2)[NH+](C)C)cc1 ZINC000022870784 818868703 /nfs/dbraw/zinc/86/87/03/818868703.db2.gz BSBDVASKJBXQBR-QFIPXVFZSA-N 1 0 392.499 4.454 20 0 GIADRO C[C@@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C(F)(F)F)cc1 ZINC000410005978 823369580 /nfs/dbraw/zinc/36/95/80/823369580.db2.gz AMOWVEULHGOPKB-SJLPKXTDSA-N 1 0 390.449 4.447 20 0 GIADRO COc1ccccc1SCC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000122541442 823369697 /nfs/dbraw/zinc/36/96/97/823369697.db2.gz PUYKAJRUEYELLH-UYAOXDASSA-N 1 0 398.572 4.299 20 0 GIADRO COc1cccc(CCC(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)c1 ZINC000022966772 818881270 /nfs/dbraw/zinc/88/12/70/818881270.db2.gz BDPUPRGBVVBWCO-FQEVSTJZSA-N 1 0 386.561 4.279 20 0 GIADRO C[NH+](C)CCCOC1CCN(C(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)CC1 ZINC000177108066 823373329 /nfs/dbraw/zinc/37/33/29/823373329.db2.gz ZLONKJVANMJDQC-OALUTQOASA-N 1 0 399.362 4.056 20 0 GIADRO Cc1nccn1CCCN(C)C(=O)N[C@H](Cc1ccccc1)c1ccccc1F ZINC000122549267 823370637 /nfs/dbraw/zinc/37/06/37/823370637.db2.gz HUDFQNRLTWDYCO-JOCHJYFZSA-N 1 0 394.494 4.346 20 0 GIADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2csc(-c3ccccc3Cl)n2)[C@H](C)C1 ZINC000122555565 823371795 /nfs/dbraw/zinc/37/17/95/823371795.db2.gz ONXOUCPQJKICRL-RDTXWAMCSA-N 1 0 391.968 4.195 20 0 GIADRO C[C@H]1C[C@@H](NC(=O)CCSc2ccnc3cc(Cl)ccc32)C[N@@H+]1C1CC1 ZINC000177102930 823371786 /nfs/dbraw/zinc/37/17/86/823371786.db2.gz RTJDIUUJEWKQMF-DZGCQCFKSA-N 1 0 389.952 4.112 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2csc(-c3ccccc3Cl)n2)[C@H](C)C1 ZINC000122555417 823371837 /nfs/dbraw/zinc/37/18/37/823371837.db2.gz ONXOUCPQJKICRL-KDOFPFPSSA-N 1 0 391.968 4.195 20 0 GIADRO Cc1ccccc1C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000023188144 818906295 /nfs/dbraw/zinc/90/62/95/818906295.db2.gz AZUQGZYPIAENFL-UHFFFAOYSA-N 1 0 376.422 4.362 20 0 GIADRO CC[NH+](CC)CCOc1ccc(CNC(=O)C2(c3cccc(F)c3)CCC2)cc1 ZINC000058259058 823372360 /nfs/dbraw/zinc/37/23/60/823372360.db2.gz GNPYUTLLPQRAJI-UHFFFAOYSA-N 1 0 398.522 4.284 20 0 GIADRO O=C(CCc1ncc(-c2ccccc2Cl)o1)NCCC[NH+]1CCCCCC1 ZINC000023237211 818916084 /nfs/dbraw/zinc/91/60/84/818916084.db2.gz SHDIMBDEXJMZMR-UHFFFAOYSA-N 1 0 389.927 4.310 20 0 GIADRO CCCOc1ccc(C(F)(F)F)cc1NC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000410027406 823373877 /nfs/dbraw/zinc/37/38/77/823373877.db2.gz HYRQICIIAGPPDI-UHFFFAOYSA-N 1 0 385.430 4.054 20 0 GIADRO Brc1ccc(C[NH+]2CCC([C@@H]3CCCO3)CC2)c2ncccc12 ZINC000189200043 823374496 /nfs/dbraw/zinc/37/44/96/823374496.db2.gz AGMPSZPSVOQEBA-SFHVURJKSA-N 1 0 375.310 4.388 20 0 GIADRO CC(=O)c1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000023409629 818935615 /nfs/dbraw/zinc/93/56/15/818935615.db2.gz OAHPKBOLOFRQPZ-LRDDRELGSA-N 1 0 382.287 4.287 20 0 GIADRO C/C=C/c1ccc(OC[C@H](O)C[N@H+](C)Cc2cccc(Cl)c2)c(OC)c1 ZINC000023409597 818935674 /nfs/dbraw/zinc/93/56/74/818935674.db2.gz DOWFFKDBTBOXOA-FHHGHWCOSA-N 1 0 375.896 4.253 20 0 GIADRO COc1ccc(C[C@H](C)[NH2+][C@@H](C)c2nc(Cc3ccccc3)no2)c(C)c1OC ZINC000572646799 823374948 /nfs/dbraw/zinc/37/49/48/823374948.db2.gz LEGRRFSAKSBMRV-RDJZCZTQSA-N 1 0 395.503 4.268 20 0 GIADRO Cc1ccccc1[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[C@@H](C)CO1 ZINC000460394866 823375193 /nfs/dbraw/zinc/37/51/93/823375193.db2.gz PQPABNLYXJCAJA-FJIJXJHWSA-N 1 0 392.543 4.196 20 0 GIADRO COc1cccc([C@H](CNC(=O)CCc2cc3ccccc3o2)[NH+]2CCCC2)c1 ZINC000023483357 818945248 /nfs/dbraw/zinc/94/52/48/818945248.db2.gz KAKACBWBQAXPHM-QFIPXVFZSA-N 1 0 392.499 4.327 20 0 GIADRO COc1ccc([C@H](CNC(=O)CCc2cc3ccccc3o2)[NH+]2CCCC2)cc1 ZINC000023487686 818945895 /nfs/dbraw/zinc/94/58/95/818945895.db2.gz XYAJUZWYHWONST-QFIPXVFZSA-N 1 0 392.499 4.327 20 0 GIADRO CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1CCC(=O)Nc1cccc(OC)c1 ZINC000177119537 823375780 /nfs/dbraw/zinc/37/57/80/823375780.db2.gz PIRZXNGBODYFJL-OAQYLSRUSA-N 1 0 392.503 4.231 20 0 GIADRO CCCn1c(C)c(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c2cc(OC)ccc21 ZINC000023526536 818955506 /nfs/dbraw/zinc/95/55/06/818955506.db2.gz MPTXYLZRTDMZAB-QFIPXVFZSA-N 1 0 393.531 4.401 20 0 GIADRO CC(=O)CCc1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2cccc3ccccc32)cc1 ZINC000023676540 818972393 /nfs/dbraw/zinc/97/23/93/818972393.db2.gz FTKGFDUVNAHBDT-SIKLNZKXSA-N 1 0 391.511 4.452 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)COc1ccc(C(C)(C)c2ccccc2)cc1)c1ccccn1 ZINC000023675490 818972405 /nfs/dbraw/zinc/97/24/05/818972405.db2.gz FLFVAVCMOBPGOU-UGKGYDQZSA-N 1 0 390.527 4.498 20 0 GIADRO Cc1ccccc1[C@@H](OC[C@@H](O)C[NH2+][C@@H](C)c1ccccn1)c1ccccc1 ZINC000023675530 818972484 /nfs/dbraw/zinc/97/24/84/818972484.db2.gz SUJJUJCXNMIYTG-PTLVVNQVSA-N 1 0 376.500 4.208 20 0 GIADRO CC[C@H]([NH2+]C[C@H](O)COc1ccc(C(C)=O)cc1OC)c1ccc(Cl)cc1 ZINC000023677885 818973114 /nfs/dbraw/zinc/97/31/14/818973114.db2.gz LXHPIQXRVKGDRV-OALUTQOASA-N 1 0 391.895 4.032 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NCc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000189212235 823376985 /nfs/dbraw/zinc/37/69/85/823376985.db2.gz ORFBKRUUVGKULA-IBGZPJMESA-N 1 0 392.522 4.386 20 0 GIADRO Cc1nc(-c2c[nH]c(C(=O)NC[C@H](c3ccccc3)[NH+]3CCCC3)c2)cs1 ZINC000023741106 818977745 /nfs/dbraw/zinc/97/77/45/818977745.db2.gz KKTLPYNLEBTVQE-HXUWFJFHSA-N 1 0 380.517 4.014 20 0 GIADRO Cc1nc(-c2c[nH]c(C(=O)NC[C@@H](c3ccccc3)[NH+]3CCCC3)c2)cs1 ZINC000023741111 818977845 /nfs/dbraw/zinc/97/78/45/818977845.db2.gz KKTLPYNLEBTVQE-FQEVSTJZSA-N 1 0 380.517 4.014 20 0 GIADRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1cc(F)ccc1Br ZINC000023740669 818977916 /nfs/dbraw/zinc/97/79/16/818977916.db2.gz DEWAQEOIDXODLI-SFHVURJKSA-N 1 0 391.284 4.155 20 0 GIADRO CCn1c2ccccc2nc(NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1=O ZINC000572662357 823378052 /nfs/dbraw/zinc/37/80/52/823378052.db2.gz JENWMHMUMCWTOL-KRWDZBQOSA-N 1 0 376.504 4.054 20 0 GIADRO C[C@H](c1nc(C(C)(C)C)no1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000023904029 818992619 /nfs/dbraw/zinc/99/26/19/818992619.db2.gz HJZPTYKNUOAQTD-QGZVFWFLSA-N 1 0 378.520 4.399 20 0 GIADRO COc1ccc([C@@H](Cc2ccccc2C)[NH2+]Cc2cnc(C)n2C)cc1OC ZINC000572663331 823378192 /nfs/dbraw/zinc/37/81/92/823378192.db2.gz LMQFRSNYAWPNHK-OAQYLSRUSA-N 1 0 379.504 4.128 20 0 GIADRO Cc1[nH]c2ccccc2c1CC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000572669380 823378998 /nfs/dbraw/zinc/37/89/98/823378998.db2.gz VWSKNIFFZMHRSV-RUZDIDTESA-N 1 0 387.527 4.143 20 0 GIADRO CC[C@H](C)[NH2+][C@H](CNC(=O)Cc1csc(-c2ccc(C)o2)n1)c1ccco1 ZINC000572673769 823379768 /nfs/dbraw/zinc/37/97/68/823379768.db2.gz NKQAMAVHVDBOSI-XJKSGUPXSA-N 1 0 387.505 4.093 20 0 GIADRO C/C=C/c1ccc(OC[C@@H](O)C[N@H+](C)Cc2ccc(Cl)s2)c(OC)c1 ZINC000024068188 819018018 /nfs/dbraw/zinc/01/80/18/819018018.db2.gz BVFBBUVFMWZXEQ-RGDDUWESSA-N 1 0 381.925 4.315 20 0 GIADRO CCCCc1oc2ccccc2c1C[NH2+]CCCN1C(=O)NC2(CCCC2)C1=O ZINC000024082191 819020379 /nfs/dbraw/zinc/02/03/79/819020379.db2.gz GVDUSGWCVGQXTL-UHFFFAOYSA-N 1 0 397.519 4.120 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)cc1F ZINC000024102495 819024110 /nfs/dbraw/zinc/02/41/10/819024110.db2.gz SUPGTMNFGYFVPD-BXUZGUMPSA-N 1 0 388.266 4.232 20 0 GIADRO C[C@H]1CCCN(Cc2csc(NC(=O)NC[C@@H]3CCCC(F)(F)C3)n2)C1 ZINC000410051715 823380545 /nfs/dbraw/zinc/38/05/45/823380545.db2.gz JQDJOPICWRXHFC-UONOGXRCSA-N 1 0 386.512 4.322 20 0 GIADRO COc1cccc(NC2CC[NH+](Cc3ccc(OCC(F)(F)F)nc3)CC2)c1 ZINC000122608252 823380694 /nfs/dbraw/zinc/38/06/94/823380694.db2.gz IQDISGHFQQOUQV-UHFFFAOYSA-N 1 0 395.425 4.108 20 0 GIADRO Fc1ccc(Cn2cc(C[NH2+]C3(c4cccc(F)c4)CCOCC3)cn2)cc1 ZINC000189256022 823382212 /nfs/dbraw/zinc/38/22/12/823382212.db2.gz XKGHAQVHWGOMJE-UHFFFAOYSA-N 1 0 383.442 4.005 20 0 GIADRO CCCOc1ccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1OCC ZINC000024389681 819053732 /nfs/dbraw/zinc/05/37/32/819053732.db2.gz IQQMBWWCGJQHSX-UHFFFAOYSA-N 1 0 396.531 4.400 20 0 GIADRO CCc1noc(-c2ccc(C)c(NC(=O)NC[C@@H](c3cccs3)[NH+](C)C)c2)n1 ZINC000177148699 823382786 /nfs/dbraw/zinc/38/27/86/823382786.db2.gz HGWLXJRVKKZIPM-INIZCTEOSA-N 1 0 399.520 4.093 20 0 GIADRO COc1cccc([C@@H](CNC(=O)c2cccc3c(C)c(C)[nH]c32)[NH+]2CCCC2)c1 ZINC000024537615 819067787 /nfs/dbraw/zinc/06/77/87/819067787.db2.gz NVXZHVHQUIGKIB-JOCHJYFZSA-N 1 0 391.515 4.360 20 0 GIADRO CCc1ccc([C@H](CNC(=O)c2ccc(C(F)(F)F)nc2C)[NH+](C)C)cc1 ZINC000024552393 819070385 /nfs/dbraw/zinc/07/03/85/819070385.db2.gz HGEKNZWVWRBREQ-KRWDZBQOSA-N 1 0 379.426 4.004 20 0 GIADRO Cc1noc(C)c1COc1cccc(C(=O)NCC2([NH+](C)C)CCCCCC2)c1 ZINC000024582976 819075861 /nfs/dbraw/zinc/07/58/61/819075861.db2.gz KJYWVEYHKYVKLW-UHFFFAOYSA-N 1 0 399.535 4.255 20 0 GIADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccoc3)n2CCc2ccccc2)CC1 ZINC000460423878 823384771 /nfs/dbraw/zinc/38/47/71/823384771.db2.gz DHKPMXTWYGYCEJ-UHFFFAOYSA-N 1 0 393.535 4.091 20 0 GIADRO c1ccc(CCn2c(C3CCC3)nnc2N2CCC[N@@H+](C3CCCC3)CC2)cc1 ZINC000460429239 823386093 /nfs/dbraw/zinc/38/60/93/823386093.db2.gz QSLCICJRTGMHNL-UHFFFAOYSA-N 1 0 393.579 4.243 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000572705145 823386322 /nfs/dbraw/zinc/38/63/22/823386322.db2.gz OSKZKCGFLJFLSJ-NXHRZFHOSA-N 1 0 384.549 4.024 20 0 GIADRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+]Cc3ccc(Cl)cc3F)cc2)C[C@@H](C)O1 ZINC000189282482 823386411 /nfs/dbraw/zinc/38/64/11/823386411.db2.gz CVXZLUCDZDLLBP-HUUCEWRRSA-N 1 0 390.886 4.018 20 0 GIADRO CSc1ccccc1[C@@H](C)NC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000410084425 823386687 /nfs/dbraw/zinc/38/66/87/823386687.db2.gz DYQUUQNGSBOPMO-UYAOXDASSA-N 1 0 397.588 4.333 20 0 GIADRO Cc1cccc2nc(C3CCN(C(=O)NC[C@H]4CC[N@@H+](CC(C)C)C4)CC3)oc21 ZINC000189285116 823386897 /nfs/dbraw/zinc/38/68/97/823386897.db2.gz DZIHDWKFUWARPJ-GOSISDBHSA-N 1 0 398.551 4.003 20 0 GIADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)[C@H](C)C1 ZINC000122650645 823388020 /nfs/dbraw/zinc/38/80/20/823388020.db2.gz RTQHELHBVBISCF-BDAKNGLRSA-N 1 0 399.149 4.498 20 0 GIADRO CCc1noc(-c2ccc(C)c(NC(=O)NCCC[NH+](C(C)C)C(C)C)c2)n1 ZINC000177164206 823388120 /nfs/dbraw/zinc/38/81/20/823388120.db2.gz KSHLZKIGUWWQLV-UHFFFAOYSA-N 1 0 387.528 4.238 20 0 GIADRO C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(-c3ccc(Br)s3)s2)C1 ZINC000572719949 823388412 /nfs/dbraw/zinc/38/84/12/823388412.db2.gz ZQIQWANITOOQHJ-NSHDSACASA-N 1 0 399.379 4.311 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)NC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)cc1 ZINC000572719361 823388606 /nfs/dbraw/zinc/38/86/06/823388606.db2.gz XOGSAWRLDWRIKN-HRAATJIYSA-N 1 0 376.504 4.084 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)Nc2cc(C)nn2Cc2ccccc2)cc1 ZINC000410092223 823388747 /nfs/dbraw/zinc/38/87/47/823388747.db2.gz WRGFZVSREYIBCC-UHFFFAOYSA-N 1 0 376.504 4.334 20 0 GIADRO Nc1ccc(F)c(NC(=O)CC[N@@H+]2CCc3cc(-c4ccccc4)oc3C2)c1 ZINC000177179249 823392559 /nfs/dbraw/zinc/39/25/59/823392559.db2.gz WJEBQLBSNDNSSE-UHFFFAOYSA-N 1 0 379.435 4.055 20 0 GIADRO C[C@H]([NH2+]C1c2ccccc2-c2ccccc21)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177185223 823393919 /nfs/dbraw/zinc/39/39/19/823393919.db2.gz LZFRNJBOBIMYBM-INIZCTEOSA-N 1 0 392.524 4.358 20 0 GIADRO CCc1ccc(OCc2nnc(SC[C@H](C)[NH+](C)C)n2CC(C)C)cc1 ZINC000460452395 823393938 /nfs/dbraw/zinc/39/39/38/823393938.db2.gz DGMFMLMYJLHHDJ-INIZCTEOSA-N 1 0 376.570 4.118 20 0 GIADRO CC(C)c1[nH+]c(CN[C@@H](c2nc(-c3ccncc3)no2)C(C)C)c2ccccn21 ZINC000572727436 823389481 /nfs/dbraw/zinc/38/94/81/823389481.db2.gz BJKSAAYCKBISAN-LJQANCHMSA-N 1 0 390.491 4.390 20 0 GIADRO Cc1ccc2cc(C[NH2+]Cc3ccc(NC(=O)c4cccnc4)cc3)ccc2n1 ZINC000189299058 823389961 /nfs/dbraw/zinc/38/99/61/823389961.db2.gz SNRZIFUMEIVQLS-UHFFFAOYSA-N 1 0 382.467 4.480 20 0 GIADRO Cc1c(NC(=O)N(C)c2ccc(OCC[NH+]3CCCC3)cc2)cccc1N(C)C ZINC000572733028 823390385 /nfs/dbraw/zinc/39/03/85/823390385.db2.gz XJKILYQJHQRFPC-UHFFFAOYSA-N 1 0 396.535 4.204 20 0 GIADRO CC(C)COC(=O)Nc1cccc(NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)c1 ZINC000058433525 823390947 /nfs/dbraw/zinc/39/09/47/823390947.db2.gz GCKSWEIQNGOSAL-UHFFFAOYSA-N 1 0 390.528 4.229 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCC1CCC(F)(F)CC1 ZINC000410109920 823394475 /nfs/dbraw/zinc/39/44/75/823394475.db2.gz RTIGCIQIDOQCBG-VQIMIIECSA-N 1 0 379.495 4.022 20 0 GIADRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(OC)c2)cc1 ZINC000177186811 823394725 /nfs/dbraw/zinc/39/47/25/823394725.db2.gz VEZJFLMYRLRGDX-SJORKVTESA-N 1 0 390.549 4.138 20 0 GIADRO Cc1c(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cnn1CCC(C)C ZINC000122709365 823398562 /nfs/dbraw/zinc/39/85/62/823398562.db2.gz XJWZNVIHDCNVDU-UHFFFAOYSA-N 1 0 383.540 4.024 20 0 GIADRO Fc1ccc(Cn2cc(CNc3ccccc3C[NH+]3CCSCC3)cn2)cc1 ZINC000189332160 823395480 /nfs/dbraw/zinc/39/54/80/823395480.db2.gz XZYACRMCITVIFU-UHFFFAOYSA-N 1 0 396.535 4.231 20 0 GIADRO COc1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000122698243 823396717 /nfs/dbraw/zinc/39/67/17/823396717.db2.gz XPKYDEBFICDYSL-ZIAGYGMSSA-N 1 0 396.409 4.314 20 0 GIADRO Cc1c(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cnn1CCC(C)C ZINC000122710867 823398814 /nfs/dbraw/zinc/39/88/14/823398814.db2.gz JLSJEYDHTQUURD-PXNSSMCTSA-N 1 0 388.581 4.112 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1cccc(NC(=O)c2cccs2)c1)C1CCCCC1 ZINC000058476246 823397219 /nfs/dbraw/zinc/39/72/19/823397219.db2.gz WUYUWFOFUTVSNK-LJQANCHMSA-N 1 0 399.560 4.241 20 0 GIADRO CC(C)(C[NH2+]Cc1cc(Br)cs1)c1ccc2c(c1)OCCO2 ZINC000058476690 823397262 /nfs/dbraw/zinc/39/72/62/823397262.db2.gz BAJWBKVFYQXMIU-UHFFFAOYSA-N 1 0 382.323 4.349 20 0 GIADRO CC[C@@H](C(=O)NCc1ccccc1-n1nc(C)cc1C)[N@H+](C)Cc1ccccc1 ZINC000572784885 823398137 /nfs/dbraw/zinc/39/81/37/823398137.db2.gz TVYJHCPJPKURTB-QFIPXVFZSA-N 1 0 390.531 4.016 20 0 GIADRO CCn1nc(C)c(C[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)c1C ZINC000572787474 823398398 /nfs/dbraw/zinc/39/83/98/823398398.db2.gz CYGGTVLMGBMRPH-AUSIDOKSSA-N 1 0 391.519 4.124 20 0 GIADRO c1nnc([C@@H]([NH2+]C2CCN(c3nc4ccccc4s3)CC2)C2CCCCC2)[nH]1 ZINC000572791115 823399480 /nfs/dbraw/zinc/39/94/80/823399480.db2.gz XPJJXYYGOJRKPI-IBGZPJMESA-N 1 0 396.564 4.294 20 0 GIADRO CCC[N@@H+](Cc1nnc(-c2ccccc2Cl)o1)C[C@H](O)c1ccc(F)cc1 ZINC000177211505 823400294 /nfs/dbraw/zinc/40/02/94/823400294.db2.gz PDNZJJWQRCDJBZ-SFHVURJKSA-N 1 0 389.858 4.475 20 0 GIADRO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CCc1ccc(Cl)nc1 ZINC000122722282 823400459 /nfs/dbraw/zinc/40/04/59/823400459.db2.gz FIJPOEDVMNLFMV-LBPRGKRZSA-N 1 0 385.817 4.303 20 0 GIADRO CCC[C@]1(CO)CC[N@@H+]([C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000572797826 823400534 /nfs/dbraw/zinc/40/05/34/823400534.db2.gz IELIYOWXVWZXQF-JPYJTQIMSA-N 1 0 382.504 4.290 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(-n2cccn2)cc1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000122722708 823400625 /nfs/dbraw/zinc/40/06/25/823400625.db2.gz IUXFAZXIDBXERC-NTKDMRAZSA-N 1 0 391.515 4.287 20 0 GIADRO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[NH2+][C@@H](Cc1ccccc1)c1ccccc1F ZINC000122740302 823403759 /nfs/dbraw/zinc/40/37/59/823403759.db2.gz JZPIOJFZVYUSTJ-IERDGZPVSA-N 1 0 394.494 4.077 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000058519447 823402799 /nfs/dbraw/zinc/40/27/99/823402799.db2.gz YVVFTEMIGPUUCF-QGZVFWFLSA-N 1 0 395.503 4.011 20 0 GIADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000122735388 823402840 /nfs/dbraw/zinc/40/28/40/823402840.db2.gz QVJYDSSXWMOQKP-ZWKOTPCHSA-N 1 0 389.471 4.059 20 0 GIADRO CC[C@H]([NH2+][C@@H]1CCOc2c(C)cccc21)c1ccccc1OCC(=O)N(C)C ZINC000189373476 823403066 /nfs/dbraw/zinc/40/30/66/823403066.db2.gz NVVUMFMGVSTUDF-VQTJNVASSA-N 1 0 382.504 4.027 20 0 GIADRO C[NH+](C)CCN(Cc1ccccc1)C(=O)NCc1ccc(F)cc1C(F)(F)F ZINC000410154742 823404096 /nfs/dbraw/zinc/40/40/96/823404096.db2.gz LMPSXVQNXIGHSQ-UHFFFAOYSA-N 1 0 397.416 4.118 20 0 GIADRO Cc1nn(CC(C)C)c(C)c1CCC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177245176 823408580 /nfs/dbraw/zinc/40/85/80/823408580.db2.gz KJEBHNNHTDWIBX-UHFFFAOYSA-N 1 0 388.600 4.002 20 0 GIADRO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccsc2Cl)C1 ZINC000189386190 823405618 /nfs/dbraw/zinc/40/56/18/823405618.db2.gz YGZGRNQGFKYTOC-LBPRGKRZSA-N 1 0 384.958 4.152 20 0 GIADRO C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000410159019 823405613 /nfs/dbraw/zinc/40/56/13/823405613.db2.gz SSVMWNOSMMIBAN-GUYCJALGSA-N 1 0 397.302 4.307 20 0 GIADRO C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000410159020 823405656 /nfs/dbraw/zinc/40/56/56/823405656.db2.gz SSVMWNOSMMIBAN-SUMWQHHRSA-N 1 0 397.302 4.307 20 0 GIADRO COc1cccc(C[NH2+][C@@H](C)[C@@H](OC2CCOCC2)c2ccccc2)c1OC ZINC000122751954 823405711 /nfs/dbraw/zinc/40/57/11/823405711.db2.gz BVJZYXAYPVITAG-HTAPYJJXSA-N 1 0 385.504 4.119 20 0 GIADRO CC(C)[C@@H](CC1CCCCC1)C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000460488923 823406016 /nfs/dbraw/zinc/40/60/16/823406016.db2.gz JEIIZBUJCJURIE-JOCHJYFZSA-N 1 0 391.644 4.296 20 0 GIADRO Nc1ccc(F)c(NC(=O)CC[NH+](Cc2ccccc2)Cc2ccccc2)c1 ZINC000122756974 823406689 /nfs/dbraw/zinc/40/66/89/823406689.db2.gz AYEUZAGEYCZCMK-UHFFFAOYSA-N 1 0 377.463 4.439 20 0 GIADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccc(Oc2cccnc2)cc1 ZINC000177237709 823406985 /nfs/dbraw/zinc/40/69/85/823406985.db2.gz OWBOGONJIJWMIK-UHFFFAOYSA-N 1 0 379.504 4.401 20 0 GIADRO Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+][C@@H](C)C(=O)Nc1c(C)nn(C)c1C ZINC000122761783 823407727 /nfs/dbraw/zinc/40/77/27/823407727.db2.gz VYTUDNBYAPULTA-QFBILLFUSA-N 1 0 396.560 4.307 20 0 GIADRO C[C@@H]([NH2+]CCCN1CCc2ccccc2C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000122762765 823407940 /nfs/dbraw/zinc/40/79/40/823407940.db2.gz DFRDNAGDYCSRKN-GOSISDBHSA-N 1 0 392.547 4.070 20 0 GIADRO Cc1ccc(-n2cc(C[NH2+]CC[C@@H](C)[S@@](C)=O)c(-c3ccc(F)cc3)n2)cc1 ZINC000572862939 823410957 /nfs/dbraw/zinc/41/09/57/823410957.db2.gz FCZYPPUWJFICHS-JYRCXFKTSA-N 1 0 399.535 4.234 20 0 GIADRO C[C@H]([NH2+]Cc1cnn(-c2ccccc2)c1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000122782691 823411534 /nfs/dbraw/zinc/41/15/34/823411534.db2.gz QQAXWSVOKPCITL-CYFREDJKSA-N 1 0 391.515 4.287 20 0 GIADRO Cc1cc(C)n(-c2ccc(C(=O)NC3CC[NH+](C4CCCCC4)CC3)cc2)n1 ZINC000177257340 823411619 /nfs/dbraw/zinc/41/16/19/823411619.db2.gz QJUUGDQZFKLMNL-UHFFFAOYSA-N 1 0 380.536 4.016 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)c1ccccc1C(F)(F)F)c1ccccc1-n1cccn1 ZINC000177259096 823412296 /nfs/dbraw/zinc/41/22/96/823412296.db2.gz PZDYYGFMKIFECZ-AUUYWEPGSA-N 1 0 375.394 4.275 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc(OCCF)c2)[C@@H]1c1cccs1 ZINC000122788454 823412472 /nfs/dbraw/zinc/41/24/72/823412472.db2.gz IOIOKYKIYXWVLM-DNVCBOLYSA-N 1 0 391.512 4.301 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1nc2ccccc2cc1Br)c1ccccc1 ZINC000572875244 823412641 /nfs/dbraw/zinc/41/26/41/823412641.db2.gz XTMSWFZWMWRNPR-SFHVURJKSA-N 1 0 398.304 4.030 20 0 GIADRO CC1CC[NH+](Cc2ccccc2CNC(=O)NCc2cc3ccccc3[nH]2)CC1 ZINC000058560173 823409462 /nfs/dbraw/zinc/40/94/62/823409462.db2.gz QDQAIPZLJSCEHZ-UHFFFAOYSA-N 1 0 390.531 4.399 20 0 GIADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)N[C@H](c3cc4ccccc4o3)c3ccccc3)C[C@H]21 ZINC000572856368 823409897 /nfs/dbraw/zinc/40/98/97/823409897.db2.gz VFOOCBMLYIWMHP-URFJDIBFSA-N 1 0 389.499 4.291 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)c2csc(C(F)(F)F)n2)CC[N@@H+]1Cc1ccccc1 ZINC000189411046 823410380 /nfs/dbraw/zinc/41/03/80/823410380.db2.gz REZRVVVBQKGSMA-HIFRSBDPSA-N 1 0 397.466 4.287 20 0 GIADRO Cc1cccn2cc(COc3ccc(C[N@@H+]4CCC[C@@]4(C)CCCO)cc3)nc12 ZINC000572887691 823414341 /nfs/dbraw/zinc/41/43/41/823414341.db2.gz XVQBIKYOOHHBQF-DEOSSOPVSA-N 1 0 393.531 4.349 20 0 GIADRO CC1(C)CN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)CC[C@H]1C(F)(F)F ZINC000189433689 823415014 /nfs/dbraw/zinc/41/50/14/823415014.db2.gz RRLICIZEACOGMH-QGZVFWFLSA-N 1 0 389.506 4.404 20 0 GIADRO Cc1ccc(-c2noc(CCC[NH+]3CCC(OCC(C)C)CC3)n2)cc1F ZINC000122807876 823416063 /nfs/dbraw/zinc/41/60/63/823416063.db2.gz HJTIZMXVAPHLDI-UHFFFAOYSA-N 1 0 375.488 4.254 20 0 GIADRO COc1ccc2ccccc2c1CNC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000410195746 823416286 /nfs/dbraw/zinc/41/62/86/823416286.db2.gz MFRPBQGFJYWPBG-GOSISDBHSA-N 1 0 383.536 4.160 20 0 GIADRO C[NH+](C)CCn1ccc2ccc(NC(=O)c3ccn(C4CCCCC4)n3)cc21 ZINC000572904383 823417071 /nfs/dbraw/zinc/41/70/71/823417071.db2.gz DOPBVWIOSUCHBL-UHFFFAOYSA-N 1 0 379.508 4.157 20 0 GIADRO CS(=O)(=O)Cc1cccc(C[NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)c1 ZINC000177273778 823417289 /nfs/dbraw/zinc/41/72/89/823417289.db2.gz WFVUAZWSXZUSIO-QFIPXVFZSA-N 1 0 383.488 4.250 20 0 GIADRO CO[C@](C)(C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccccc1F ZINC000572928896 823421823 /nfs/dbraw/zinc/42/18/23/823421823.db2.gz RGPVMAPNKWTBLP-RDPSFJRHSA-N 1 0 398.522 4.106 20 0 GIADRO C[C@@H]([NH2+]CCCNC(=O)c1cccc(F)c1)c1cccc(Br)c1 ZINC000410214720 823422104 /nfs/dbraw/zinc/42/21/04/823422104.db2.gz IHFXKRWQZCQEPD-CYBMUJFWSA-N 1 0 379.273 4.059 20 0 GIADRO COCc1ccc(CN2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)o1 ZINC000122846282 823422338 /nfs/dbraw/zinc/42/23/38/823422338.db2.gz WZEMBCFNSRDVCJ-UHFFFAOYSA-N 1 0 382.426 4.153 20 0 GIADRO CC[NH+](CC)CCOC1CCN(C(=O)N[C@H](c2ccc(F)cc2)C(C)C)CC1 ZINC000410218613 823422981 /nfs/dbraw/zinc/42/29/81/823422981.db2.gz XIWBNOFWTYLKGF-NRFANRHFSA-N 1 0 393.547 4.055 20 0 GIADRO FC(F)(F)CN1CCC(C[NH2+]Cc2ccccc2OCc2ccccn2)CC1 ZINC000189467196 823423244 /nfs/dbraw/zinc/42/32/44/823423244.db2.gz CHXYXDPIVRAQGN-UHFFFAOYSA-N 1 0 393.453 4.025 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)Nc1ccc2c(c1)C(=O)CCC2 ZINC000177294348 823424142 /nfs/dbraw/zinc/42/41/42/823424142.db2.gz SGQVNGNJZVGZNS-UHFFFAOYSA-N 1 0 377.488 4.123 20 0 GIADRO Cc1[nH+]c2c(n1Cc1ccc(S(=O)(=O)c3ccc(C)cc3)cc1)CCCC2 ZINC000572921872 823420031 /nfs/dbraw/zinc/42/00/31/823420031.db2.gz GBVVZQXONAOMNC-UHFFFAOYSA-N 1 0 380.513 4.260 20 0 GIADRO COc1ccc(C[C@@](C)(O)C[NH2+][C@@H](C)c2ccc(Cl)c(F)c2)cc1OC ZINC000572924737 823420697 /nfs/dbraw/zinc/42/06/97/823420697.db2.gz CNZFAFKAXFCBAE-RNODOKPDSA-N 1 0 381.875 4.141 20 0 GIADRO Fc1ccc([C@@H]([NH2+]CCCc2nnc3n2CCCCC3)c2ccccc2)cc1 ZINC000177284278 823421037 /nfs/dbraw/zinc/42/10/37/823421037.db2.gz MATDDRMLYZLOKK-QHCPKHFHSA-N 1 0 378.495 4.455 20 0 GIADRO Cc1cccc(C)c1NC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC000189476604 823425411 /nfs/dbraw/zinc/42/54/11/823425411.db2.gz SSEQKTQWDYEDBE-RCCFBDPRSA-N 1 0 389.540 4.056 20 0 GIADRO COC(=O)c1cc(C[NH2+][C@@H](c2cncc(Br)c2)C2CC2)c(C)s1 ZINC000572979787 823429330 /nfs/dbraw/zinc/42/93/30/823429330.db2.gz BOUHSCUTHMJSKG-MRXNPFEDSA-N 1 0 395.322 4.242 20 0 GIADRO COc1cc(NC(=O)CC[NH2+][C@@H]2CC[C@@H]3CCC[C@H]3C2)c(OC)cc1Cl ZINC000572953216 823426299 /nfs/dbraw/zinc/42/62/99/823426299.db2.gz DIXYNGAMMZLVDC-SOUVJXGZSA-N 1 0 380.916 4.244 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CC[C@@H](c2cccnc2)C1 ZINC000572956248 823426561 /nfs/dbraw/zinc/42/65/61/823426561.db2.gz QOCOTJBSJYWFGK-AUSIDOKSSA-N 1 0 392.547 4.155 20 0 GIADRO C[C@H]([NH2+]CCCN(C(=O)C1CCC1)C1CC1)c1cccc(Br)c1 ZINC000410230031 823426985 /nfs/dbraw/zinc/42/69/85/823426985.db2.gz LBJPYEYRIFVQCL-AWEZNQCLSA-N 1 0 379.342 4.281 20 0 GIADRO Cc1ccc(C(C)C)c(OCC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)c1 ZINC000122875163 823427138 /nfs/dbraw/zinc/42/71/38/823427138.db2.gz UBJUFNKEEYBSRK-UHFFFAOYSA-N 1 0 384.520 4.213 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1Cl ZINC000189481472 823427148 /nfs/dbraw/zinc/42/71/48/823427148.db2.gz BQXBCVKAMUFAMX-KBRIMQKVSA-N 1 0 395.931 4.093 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1sccc1NC(=O)c1ccncc1 ZINC000177304049 823427216 /nfs/dbraw/zinc/42/72/16/823427216.db2.gz PNISIAPLXGTTFR-UHFFFAOYSA-N 1 0 394.500 4.018 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)CSCC(=O)c1ccc(Cl)cc1 ZINC000177305393 823427699 /nfs/dbraw/zinc/42/76/99/823427699.db2.gz KSJLDIIJXTTWEL-UHFFFAOYSA-N 1 0 390.936 4.265 20 0 GIADRO COC(=O)c1ccc([C@H](C)[NH2+][C@H]2CCN(C(C)C)[C@H]2c2ccc(F)c(F)c2)o1 ZINC000572970737 823428336 /nfs/dbraw/zinc/42/83/36/823428336.db2.gz UGSIXBOMGGQPTA-ROOHIHILSA-N 1 0 392.446 4.219 20 0 GIADRO CCOc1ccc(NC(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)cc1Br ZINC000189487571 823428433 /nfs/dbraw/zinc/42/84/33/823428433.db2.gz OTKZBVREZWYEKY-CZUORRHYSA-N 1 0 398.345 4.042 20 0 GIADRO CCS[C@@H]1CCCC[C@@H]1[NH2+]Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000189488622 823428746 /nfs/dbraw/zinc/42/87/46/823428746.db2.gz VNMFWLJYNMXSLV-ZWKOTPCHSA-N 1 0 389.590 4.227 20 0 GIADRO CC1(NC(=O)N[C@H](Cc2ccccc2)c2nc3ccccc3s2)CC[NH2+]CC1 ZINC000572976982 823429000 /nfs/dbraw/zinc/42/90/00/823429000.db2.gz UOZONDDPKDSRIK-GOSISDBHSA-N 1 0 394.544 4.021 20 0 GIADRO COc1cccc(C2(F)CCN(C(=O)[C@@H]3CCC[N@@H+]3Cc3ccccc3)CC2)c1 ZINC000410240197 823430858 /nfs/dbraw/zinc/43/08/58/823430858.db2.gz JFLNCRGBKXHSSC-QFIPXVFZSA-N 1 0 396.506 4.147 20 0 GIADRO CC(C)Oc1ccc(CNC(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000410239453 823430871 /nfs/dbraw/zinc/43/08/71/823430871.db2.gz TUZKXDOPALFLSN-RTBURBONSA-N 1 0 375.557 4.031 20 0 GIADRO C[C@@H](NC(=O)NCc1ccc(C[NH+](C)C)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000410242618 823431477 /nfs/dbraw/zinc/43/14/77/823431477.db2.gz UHLYVWJGSNSINJ-CQSZACIVSA-N 1 0 395.425 4.207 20 0 GIADRO CN(C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000460557039 823431946 /nfs/dbraw/zinc/43/19/46/823431946.db2.gz UQMXUPWOFIMFCZ-XDNAFOTISA-N 1 0 383.458 4.194 20 0 GIADRO CCN(CCC[NH+]1CCCC1)C(=O)Nc1cccc(COCc2ccco2)c1 ZINC000189503020 823432435 /nfs/dbraw/zinc/43/24/35/823432435.db2.gz QXYDVMOUAVUHFJ-UHFFFAOYSA-N 1 0 385.508 4.336 20 0 GIADRO CCS[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cc2c(cc1Cl)OCCCO2 ZINC000189505578 823433169 /nfs/dbraw/zinc/43/31/69/823433169.db2.gz RQCWYXKGUDCSCV-KDOFPFPSSA-N 1 0 398.956 4.094 20 0 GIADRO C[NH+](C)Cc1ccc(CNC(=O)CCc2ccc(-c3ccccc3F)o2)cc1 ZINC000024643783 819859038 /nfs/dbraw/zinc/85/90/38/819859038.db2.gz WXBPPIQSAVSASF-UHFFFAOYSA-N 1 0 380.463 4.396 20 0 GIADRO O=C(NC1CC1)[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000024666196 819862148 /nfs/dbraw/zinc/86/21/48/819862148.db2.gz RTOXFYWBFCFYFO-UTKZUKDTSA-N 1 0 375.472 4.027 20 0 GIADRO CCCOc1ccc(Cl)cc1NC(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000573023464 823434958 /nfs/dbraw/zinc/43/49/58/823434958.db2.gz QIEIAXUXNIAQPI-UHFFFAOYSA-N 1 0 385.961 4.078 20 0 GIADRO CC1(C)Cc2cccc(C[N@@H+]3C[C@H]4CCC[C@@]4(c4nc(CC5CC5)no4)C3)c2O1 ZINC000573022809 823435174 /nfs/dbraw/zinc/43/51/74/823435174.db2.gz XIBZRMBXGGCUHY-NTKDMRAZSA-N 1 0 393.531 4.289 20 0 GIADRO COc1ccc(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c(C)c1OC ZINC000573026885 823436252 /nfs/dbraw/zinc/43/62/52/823436252.db2.gz BHTRDCHBYOZHIF-FQEVSTJZSA-N 1 0 396.531 4.044 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1cc(Cl)ncc1Cl ZINC000122939646 823437014 /nfs/dbraw/zinc/43/70/14/823437014.db2.gz PPXPAQKNNSSDDM-UHFFFAOYSA-N 1 0 398.721 4.436 20 0 GIADRO CN(CC1([NH+](C)C)CCC1)C(=O)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000189525060 823437536 /nfs/dbraw/zinc/43/75/36/823437536.db2.gz AJPUDOKGESPGNY-IRXDYDNUSA-N 1 0 383.561 4.289 20 0 GIADRO COc1cnccc1[C@@H](C)NC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000189540796 823440560 /nfs/dbraw/zinc/44/05/60/823440560.db2.gz NMNIEYJGDSPRJP-GOSISDBHSA-N 1 0 389.499 4.213 20 0 GIADRO COc1cc(C[C@H](CO)C[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)cc(OC)c1 ZINC000573040816 823438302 /nfs/dbraw/zinc/43/83/02/823438302.db2.gz RJPGKBLVTOXOAZ-SBUREZEXSA-N 1 0 394.515 4.003 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1ccccc1N(C)C(=O)c1ccco1 ZINC000177344065 823440842 /nfs/dbraw/zinc/44/08/42/823440842.db2.gz ONFUGWMSTCNQAL-UHFFFAOYSA-N 1 0 391.471 4.179 20 0 GIADRO C/C=C/c1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2c2ccc(OC)cc2)c(OC)c1 ZINC000025227483 819947042 /nfs/dbraw/zinc/94/70/42/819947042.db2.gz NYBWAQBSBTZVHT-CDVAYIFPSA-N 1 0 397.515 4.314 20 0 GIADRO CC[N@@H+](Cc1ccc(OC)c(OC)c1)C[C@@H](O)COc1cccc2ccccc21 ZINC000025234615 819947969 /nfs/dbraw/zinc/94/79/69/819947969.db2.gz OSSBGLXJSFEGHA-HXUWFJFHSA-N 1 0 395.499 4.119 20 0 GIADRO O[C@@H](COCc1ccccc1F)C[N@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000025287951 819955551 /nfs/dbraw/zinc/95/55/51/819955551.db2.gz QIHLLSNWLOUJEQ-VWNXMTODSA-N 1 0 391.486 4.351 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1cnn(C(C)C)c1C1CC1)Cc1ccccc1 ZINC000122965585 823441264 /nfs/dbraw/zinc/44/12/64/823441264.db2.gz CWODHJRJWLXLAZ-HXUWFJFHSA-N 1 0 382.552 4.024 20 0 GIADRO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]CCc1nc(C2CCCCC2)cs1 ZINC000122967834 823441491 /nfs/dbraw/zinc/44/14/91/823441491.db2.gz KYOBZCOFWUAFGF-MRXNPFEDSA-N 1 0 392.590 4.185 20 0 GIADRO CC(C)[C@H](C[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1)N1CCOCC1 ZINC000025312600 819961235 /nfs/dbraw/zinc/96/12/35/819961235.db2.gz FENQOMMDUMJZGO-SFHVURJKSA-N 1 0 385.533 4.003 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)CSc1nc(-c2ccccc2)cs1)c1ccccc1 ZINC000025320400 819961751 /nfs/dbraw/zinc/96/17/51/819961751.db2.gz NEWYOCWLXRCBKS-LJQANCHMSA-N 1 0 397.569 4.321 20 0 GIADRO C[C@@H]1CCc2[nH]c3ccc(C(=O)NC[C@@H](c4ccsc4)[NH+](C)C)cc3c2C1 ZINC000025328803 819963007 /nfs/dbraw/zinc/96/30/07/819963007.db2.gz MIVWDCVZYXGGLI-SZNDQCEHSA-N 1 0 381.545 4.387 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1ccccc1OCc1ccc(F)cc1)c1ccsc1 ZINC000025330064 819964018 /nfs/dbraw/zinc/96/40/18/819964018.db2.gz LRXXKUDQNDPQDV-HXUWFJFHSA-N 1 0 398.503 4.499 20 0 GIADRO CCCOc1c(Cl)cc(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc1OC ZINC000025329459 819964147 /nfs/dbraw/zinc/96/41/47/819964147.db2.gz KBDOPSOAGPXAJO-MRXNPFEDSA-N 1 0 396.940 4.232 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1ccc(COc2ccccc2)cc1)c1ccsc1 ZINC000025331676 819964544 /nfs/dbraw/zinc/96/45/44/819964544.db2.gz UKSOLYLRIXITLK-OAQYLSRUSA-N 1 0 380.513 4.360 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)COc1ccc(Cl)c2ccccc12)c1ccsc1 ZINC000025330876 819964557 /nfs/dbraw/zinc/96/45/57/819964557.db2.gz NNMOEJLIAGDZLF-SFHVURJKSA-N 1 0 388.920 4.353 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)c1cc(Cl)ccc1Br)c1ccsc1 ZINC000025332455 819965545 /nfs/dbraw/zinc/96/55/45/819965545.db2.gz HYLSYIDNDWYHHU-CQSZACIVSA-N 1 0 387.730 4.197 20 0 GIADRO CC[C@@H]([NH2+]Cc1ccc(OCC(=O)N2CCCC2)c(OC)c1)c1ccc(C)cc1 ZINC000025356831 819969235 /nfs/dbraw/zinc/96/92/35/819969235.db2.gz YZIMAKBJDMPOCU-OAQYLSRUSA-N 1 0 396.531 4.246 20 0 GIADRO COc1cc(C[NH2+]C[C@H](c2ccco2)N(C)C)ccc1OCc1cccs1 ZINC000025355525 819969306 /nfs/dbraw/zinc/96/93/06/819969306.db2.gz PUDDDTTYZHDURO-GOSISDBHSA-N 1 0 386.517 4.321 20 0 GIADRO O[C@H](C[NH2+][C@@H](c1ccccc1)c1ccc(OC(F)F)cc1)COc1ccccc1 ZINC000025367225 819970375 /nfs/dbraw/zinc/97/03/75/819970375.db2.gz XPGHOKGDIKIVPQ-KNQAVFIVSA-N 1 0 399.437 4.407 20 0 GIADRO Cc1ccc(S(=O)(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c(Cl)c1 ZINC000025370924 819971853 /nfs/dbraw/zinc/97/18/53/819971853.db2.gz JOARCDIVDOMWAW-UHFFFAOYSA-N 1 0 392.952 4.113 20 0 GIADRO C[C@@H](Sc1ccc(Cl)cc1)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000025382457 819973640 /nfs/dbraw/zinc/97/36/40/819973640.db2.gz LYZASOHTXLJTHE-CRAIPNDOSA-N 1 0 376.953 4.110 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1Cl)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177351593 823442876 /nfs/dbraw/zinc/44/28/76/823442876.db2.gz AHGLNOUWETYSGD-OLZOCXBDSA-N 1 0 384.904 4.141 20 0 GIADRO COc1cc(OC)c(NC(=O)C[N@@H+]2CCC[C@@H]2Cc2ccccc2)cc1Cl ZINC000025441658 819980789 /nfs/dbraw/zinc/98/07/89/819980789.db2.gz DAVVWEJRZPNGQS-MRXNPFEDSA-N 1 0 388.895 4.003 20 0 GIADRO Cc1ccnc(Oc2ccc(NC(=O)[C@H]3CCC[N@@H+]3Cc3ccccc3)cc2)n1 ZINC000177351890 823442956 /nfs/dbraw/zinc/44/29/56/823442956.db2.gz OPLPFIVWEGCJGX-OAQYLSRUSA-N 1 0 388.471 4.180 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)COc3ccc(C(C)C)cc3)c(C)c2)CC1 ZINC000025456893 819983890 /nfs/dbraw/zinc/98/38/90/819983890.db2.gz FVBWFXQJSUZMGK-UHFFFAOYSA-N 1 0 395.547 4.278 20 0 GIADRO CN(C)c1ccc(C(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)cc1 ZINC000025521367 819995077 /nfs/dbraw/zinc/99/50/77/819995077.db2.gz LVHHSUSOEMGHJZ-UHFFFAOYSA-N 1 0 387.527 4.411 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH2+]C(c2ccccc2)c2ccccc2)c1 ZINC000025549418 820002089 /nfs/dbraw/zinc/00/20/89/820002089.db2.gz LNJFQFMCOZJBRW-KRWDZBQOSA-N 1 0 387.483 4.351 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCCC1)Nc1ccc([C@H]2CCOC2)cc1 ZINC000573076700 823444630 /nfs/dbraw/zinc/44/46/30/823444630.db2.gz GYMQWSKSUMICRB-QFIPXVFZSA-N 1 0 393.531 4.498 20 0 GIADRO C[C@@H](CNC(=O)Cc1ccc(Cl)c(Cl)c1)[N@@H+]1CCc2ccccc2C1 ZINC000025633644 820009098 /nfs/dbraw/zinc/00/90/98/820009098.db2.gz XLZRYGUCIFRCTH-AWEZNQCLSA-N 1 0 377.315 4.099 20 0 GIADRO COCCc1ccccc1NC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000189565364 823445128 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394.494 4.092 20 0 GIADRO Cc1cccc(-c2nn(Cc3ccccc3)cc2C[NH2+]CC(C)(C)N(C)C)c1 ZINC000026310830 820081558 /nfs/dbraw/zinc/08/15/58/820081558.db2.gz KBUIKXVZPYIRNA-UHFFFAOYSA-N 1 0 376.548 4.337 20 0 GIADRO CC(=O)Oc1ccc(C[N@@H+]2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)cc1 ZINC000123035869 823451433 /nfs/dbraw/zinc/45/14/33/823451433.db2.gz OPWHTGORWLLXTD-SFHVURJKSA-N 1 0 395.434 4.181 20 0 GIADRO Cc1c([C@@H](C)NCc2cccc(C[NH+]3CCCC3)c2)nnn1-c1ccc(F)cc1 ZINC000123040392 823451756 /nfs/dbraw/zinc/45/17/56/823451756.db2.gz GDVFKLQSNOMACR-QGZVFWFLSA-N 1 0 393.510 4.161 20 0 GIADRO Cc1c([C@H](C)NCc2cccc(C[NH+]3CCCC3)c2)nnn1-c1ccc(F)cc1 ZINC000123040561 823451768 /nfs/dbraw/zinc/45/17/68/823451768.db2.gz GDVFKLQSNOMACR-KRWDZBQOSA-N 1 0 393.510 4.161 20 0 GIADRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccc(Oc4cccc(F)c4)cc3)[C@H]2C1 ZINC000573132249 823451847 /nfs/dbraw/zinc/45/18/47/823451847.db2.gz OMEJKONNYWYZAM-OFAXGOBFSA-N 1 0 382.479 4.355 20 0 GIADRO CCCC[N@H+](CC(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1)C1CC1 ZINC000026450504 820099081 /nfs/dbraw/zinc/09/90/81/820099081.db2.gz KXSQGBZXMMKPDH-SFHVURJKSA-N 1 0 393.531 4.381 20 0 GIADRO COc1ccc(C[N@@H+]2CCCN(C(=O)C(C)(C)c3ccccc3C)CC2)cc1 ZINC000058791959 823452819 /nfs/dbraw/zinc/45/28/19/823452819.db2.gz LZGYAVRRSPGNIJ-UHFFFAOYSA-N 1 0 380.532 4.016 20 0 GIADRO CCCCOc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)cc1 ZINC000026567056 820115313 /nfs/dbraw/zinc/11/53/13/820115313.db2.gz YWQNCKTXPKACCC-UHFFFAOYSA-N 1 0 381.520 4.178 20 0 GIADRO COc1ccc(C[C@H](C)C(=O)Nc2cc(C[NH+]3CCSCC3)ccc2C)cc1 ZINC000123055715 823454616 /nfs/dbraw/zinc/45/46/16/823454616.db2.gz RSHYZIHXSDWSSK-SFHVURJKSA-N 1 0 398.572 4.370 20 0 GIADRO COc1ccc(Br)cc1C[NH2+]C[C@@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000189599263 823455211 /nfs/dbraw/zinc/45/52/11/823455211.db2.gz LTRWTCAXJTUVTR-IUODEOHRSA-N 1 0 396.247 4.031 20 0 GIADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(C)(C)c3ccccc3C)cc2)CC1 ZINC000058805797 823455445 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Cc1cc(-c2nnc(N3CCC[C@H]([NH+]4CCCC4)CC3)n2CC(C)C)c(C)o1 ZINC000460619562 823457806 /nfs/dbraw/zinc/45/78/06/823457806.db2.gz FCOVLKBDCFKKLD-IBGZPJMESA-N 1 0 385.556 4.266 20 0 GIADRO COC(=O)[C@H](C)[C@H]([NH2+]Cc1ccc(-n2nc(C)cc2C)cc1)c1ccccc1 ZINC000177417617 823457948 /nfs/dbraw/zinc/45/79/48/823457948.db2.gz ZRQGOSNVAIESAB-GCJKJVERSA-N 1 0 377.488 4.129 20 0 GIADRO Cc1cc(C)n(CCC[NH2+]Cc2c(C)nn(Cc3ccc(Cl)cc3)c2C)n1 ZINC000123076852 823458204 /nfs/dbraw/zinc/45/82/04/823458204.db2.gz IDLUIUDFUBCYEP-UHFFFAOYSA-N 1 0 385.943 4.195 20 0 GIADRO CC(C)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000460626295 823459677 /nfs/dbraw/zinc/45/96/77/823459677.db2.gz CYDWSJUYGLLIQB-FQEVSTJZSA-N 1 0 399.558 4.119 20 0 GIADRO C[C@](O)(C[NH+]1CCC(c2nc3cc(Cl)ccc3s2)CC1)C(F)(F)F ZINC000410308509 823458686 /nfs/dbraw/zinc/45/86/86/823458686.db2.gz WXPRKVYYLPGLAY-HNNXBMFYSA-N 1 0 378.847 4.442 20 0 GIADRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1cccc(OCc2cccs2)c1 ZINC000177421630 823458934 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O=C(CCc1nnc(-c2ccccc2)o1)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000027140720 820200767 /nfs/dbraw/zinc/20/07/67/820200767.db2.gz SUZJIXHNPWSGES-UHFFFAOYSA-N 1 0 390.487 4.294 20 0 GIADRO Cc1ccc(C(=O)C2CC[NH+](C[C@H](O)COc3c(C)cccc3C)CC2)c(C)c1 ZINC000027211666 820210346 /nfs/dbraw/zinc/21/03/46/820210346.db2.gz YGQHBCADWZZPEU-QFIPXVFZSA-N 1 0 395.543 4.255 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)Nc1ccc(N2CCCCC2)cc1 ZINC000058844557 823461752 /nfs/dbraw/zinc/46/17/52/823461752.db2.gz CSBNZGCHUUWPLA-HXUWFJFHSA-N 1 0 382.508 4.229 20 0 GIADRO COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]CCc1nc2c(cccc2C)o1 ZINC000410318858 823461720 /nfs/dbraw/zinc/46/17/20/823461720.db2.gz RCPMRURAPKMRHR-UHFFFAOYSA-N 1 0 394.427 4.010 20 0 GIADRO N#CCCN(C(=O)C[N@H+]1CCC[C@H]1COc1ccc(Cl)cc1)c1ccccc1 ZINC000027237373 820214306 /nfs/dbraw/zinc/21/43/06/820214306.db2.gz GXAYDZMVRKPIQT-FQEVSTJZSA-N 1 0 397.906 4.130 20 0 GIADRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+][C@@H]3CCCCc4ccccc43)cc2)C[C@@H](C)O1 ZINC000177438356 823462262 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CC1CC[NH+](Cc2ccc(CNC(=O)NCc3cc(F)cc(F)c3)cc2)CC1 ZINC000027373423 820233600 /nfs/dbraw/zinc/23/36/00/820233600.db2.gz LTUVGJAQJXGEEU-UHFFFAOYSA-N 1 0 387.474 4.196 20 0 GIADRO O=C(c1cccc(Cl)c1)N1CCC[N@H+](CCCCC2CCOCC2)CC1 ZINC000410329920 823465229 /nfs/dbraw/zinc/46/52/29/823465229.db2.gz LAIUYHBYSGZOHU-UHFFFAOYSA-N 1 0 378.944 4.085 20 0 GIADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000027391337 820237873 /nfs/dbraw/zinc/23/78/73/820237873.db2.gz SSJDQJDIWXAVGI-UHFFFAOYSA-N 1 0 376.422 4.362 20 0 GIADRO O=C(CCOc1ccc(F)cc1Cl)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000058879372 823465442 /nfs/dbraw/zinc/46/54/42/823465442.db2.gz MOQKMDNMTGGCLI-UHFFFAOYSA-N 1 0 396.934 4.363 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)c2cccnc2Nc2ccccc2F)CC1 ZINC000058861198 823463740 /nfs/dbraw/zinc/46/37/40/823463740.db2.gz MKOCQMIOIZQQSV-UHFFFAOYSA-N 1 0 384.499 4.157 20 0 GIADRO O=C(NC1CC[NH+](CCCOc2ccc(Cl)cc2)CC1)c1ccc(F)cc1 ZINC000027439935 820244579 /nfs/dbraw/zinc/24/45/79/820244579.db2.gz KXRMANGOPITYGY-UHFFFAOYSA-N 1 0 390.886 4.142 20 0 GIADRO Cc1nc(COc2ccc(F)cc2)sc1C(=O)NCC[NH+](C(C)C)C(C)C ZINC000027458676 820246949 /nfs/dbraw/zinc/24/69/49/820246949.db2.gz RJRXTYIIJPDGTI-UHFFFAOYSA-N 1 0 393.528 4.018 20 0 GIADRO Cc1cc(F)c(Br)cc1NC(=O)c1ccccc1OCC[NH+](C)C ZINC000189637585 823464233 /nfs/dbraw/zinc/46/42/33/823464233.db2.gz ABYDZVMYOGCQPQ-UHFFFAOYSA-N 1 0 395.272 4.089 20 0 GIADRO COc1ccc(C(=O)C(C(=S)N[C@@H]2CCCC[C@@H]2C)[n+]2ccccc2)cc1 ZINC000027487692 820252141 /nfs/dbraw/zinc/25/21/41/820252141.db2.gz PANIEMADHKZBPM-QFBILLFUSA-O 1 0 383.537 4.090 20 0 GIADRO Cc1ccccc1C[NH+]1CCN([C@@H](C)C(=O)Nc2ccccc2C(C)C)CC1 ZINC000027535775 820256552 /nfs/dbraw/zinc/25/65/52/820256552.db2.gz OEFCUEABOPEISD-FQEVSTJZSA-N 1 0 379.548 4.263 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)[C@@H](C)Sc1ccc(C)cc1)[NH+]1CCCC1 ZINC000027571242 820260532 /nfs/dbraw/zinc/26/05/32/820260532.db2.gz MPTZTJDKYMFFHT-WIYYLYMNSA-N 1 0 398.572 4.438 20 0 GIADRO Cc1c(C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)cnn1-c1ccccc1C ZINC000058879343 823465394 /nfs/dbraw/zinc/46/53/94/823465394.db2.gz CCJUMMQZQLDXLT-UHFFFAOYSA-N 1 0 394.563 4.217 20 0 GIADRO C[C@@H](NC(=O)C[N@H+](Cc1ccc2c(c1)OCO2)C1CCCC1)c1cccs1 ZINC000027574529 820261751 /nfs/dbraw/zinc/26/17/51/820261751.db2.gz IIMFBEXTOWIYBK-OAHLLOKOSA-N 1 0 386.517 4.099 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)c2cc(F)cc3[nH]c(=S)[nH]c32)CC[N@@H+]1Cc1ccccc1 ZINC000177474103 823471072 /nfs/dbraw/zinc/47/10/72/823471072.db2.gz ONOBDGLPAOHBPD-CJNGLKHVSA-N 1 0 398.507 4.147 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(OC)cc1F)c1ccccc1Cl ZINC000027579001 820262785 /nfs/dbraw/zinc/26/27/85/820262785.db2.gz IMVCNUZVMCCLCI-LJQANCHMSA-N 1 0 378.875 4.301 20 0 GIADRO CCc1ccc([C@H](CNC(=O)CCc2c(C)nn(CC(C)C)c2C)[NH+](C)C)cc1 ZINC000027597475 820265089 /nfs/dbraw/zinc/26/50/89/820265089.db2.gz AAKMZWSEPHPVAB-QHCPKHFHSA-N 1 0 398.595 4.070 20 0 GIADRO COc1ccc2nc(C)c(C(=O)NC[C@H](c3cccs3)[NH+]3CCCC3)cc2c1 ZINC000027607450 820266858 /nfs/dbraw/zinc/26/68/58/820266858.db2.gz RRVFEQCVRXLOEV-HXUWFJFHSA-N 1 0 395.528 4.180 20 0 GIADRO Cc1nc(CSc2ccccc2C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cs1 ZINC000177452503 823465943 /nfs/dbraw/zinc/46/59/43/823465943.db2.gz RWDPPPAIJPGCFE-NVXWUHKLSA-N 1 0 389.590 4.346 20 0 GIADRO [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)c1cnc2ccsc2c1 ZINC000573210534 823465986 /nfs/dbraw/zinc/46/59/86/823465986.db2.gz LVXBVQYADSCNGO-XLIONFOSSA-N 1 0 379.529 4.109 20 0 GIADRO CCC(CC)CN(CC)C(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000410355253 823471708 /nfs/dbraw/zinc/47/17/08/823471708.db2.gz ZCKQCTFTRIBLGP-RTBURBONSA-N 1 0 389.584 4.264 20 0 GIADRO COc1cc(C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)ccc1OC(F)F ZINC000058881236 823466040 /nfs/dbraw/zinc/46/60/40/823466040.db2.gz WQHWYMNIOQTFDD-UHFFFAOYSA-N 1 0 396.478 4.025 20 0 GIADRO CC(=O)Oc1ccc(C[N@H+](C)CCCc2cc(-c3cccc(F)c3)n[nH]2)cc1 ZINC000123123858 823466101 /nfs/dbraw/zinc/46/61/01/823466101.db2.gz ZRBFHKSBHCGTJF-UHFFFAOYSA-N 1 0 381.451 4.206 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)COC(c1ccccc1)c1ccccc1)c1cccs1 ZINC000027676783 820273684 /nfs/dbraw/zinc/27/36/84/820273684.db2.gz NFWQQFRZXXQAFU-FQEVSTJZSA-N 1 0 394.540 4.273 20 0 GIADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)C1 ZINC000058882898 823466420 /nfs/dbraw/zinc/46/64/20/823466420.db2.gz YLZISCFVBZGFSW-RVKKMQEKSA-N 1 0 386.927 4.208 20 0 GIADRO COc1ccccc1-c1nc(C(=O)N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)cs1 ZINC000058884274 823466550 /nfs/dbraw/zinc/46/65/50/823466550.db2.gz BPKZFNZBHATSIX-BBWFWOEESA-N 1 0 399.560 4.296 20 0 GIADRO CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000460649223 823466586 /nfs/dbraw/zinc/46/65/86/823466586.db2.gz ASGLRTSSHUXQPE-YADHBBJMSA-N 1 0 387.568 4.062 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCc3sccc3C2)cc1 ZINC000410337106 823466591 /nfs/dbraw/zinc/46/65/91/823466591.db2.gz LVUZQRIEGGMPKG-QGZVFWFLSA-N 1 0 383.561 4.390 20 0 GIADRO Cc1cc2oc(=O)cc(C[NH+]3CCC(OC[C@H]4CCCO4)CC3)c2cc1C(C)C ZINC000177460747 823467638 /nfs/dbraw/zinc/46/76/38/823467638.db2.gz OGMBEXZQVYABRU-HXUWFJFHSA-N 1 0 399.531 4.385 20 0 GIADRO CC(C)COc1cccc(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000027928434 820297562 /nfs/dbraw/zinc/29/75/62/820297562.db2.gz GRYDFRIPACGCRS-UHFFFAOYSA-N 1 0 380.532 4.158 20 0 GIADRO CC(C)COc1ccc(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000027926286 820297630 /nfs/dbraw/zinc/29/76/30/820297630.db2.gz DCDRCUSXCUKJPA-UHFFFAOYSA-N 1 0 380.532 4.158 20 0 GIADRO Cc1ccc2nc(C)c(C(=O)NC3CC[NH+](CCc4ccccc4)CC3)cc2c1 ZINC000027932587 820298040 /nfs/dbraw/zinc/29/80/40/820298040.db2.gz BYKDGAUNVKRURV-UHFFFAOYSA-N 1 0 387.527 4.289 20 0 GIADRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)C1(c2ccccc2)CCCC1 ZINC000027935384 820298840 /nfs/dbraw/zinc/29/88/40/820298840.db2.gz FEZVHJTXFIQSJJ-UHFFFAOYSA-N 1 0 376.544 4.322 20 0 GIADRO CSc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)c1 ZINC000027951211 820300286 /nfs/dbraw/zinc/30/02/86/820300286.db2.gz WUXNEZRQPVBSCB-IAGOWNOFSA-N 1 0 397.544 4.086 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@@H]2CCCN(CC(C)(C)C)C2=O)cc1Br ZINC000460654676 823468213 /nfs/dbraw/zinc/46/82/13/823468213.db2.gz IGWNLVKURFKDET-XJKSGUPXSA-N 1 0 397.357 4.145 20 0 GIADRO CSc1ccc(C)c(C(=O)Nc2cc(Cl)ccc2N2CC[NH+](C)CC2)c1 ZINC000028008053 820304219 /nfs/dbraw/zinc/30/42/19/820304219.db2.gz DBADUNZOUIFCFK-UHFFFAOYSA-N 1 0 389.952 4.374 20 0 GIADRO Cc1noc2nc(-c3ccccc3)cc(C(=O)NCCC[NH+]3CCC(C)CC3)c12 ZINC000028070185 820309152 /nfs/dbraw/zinc/30/91/52/820309152.db2.gz XNEGLKDOYOMKGT-UHFFFAOYSA-N 1 0 392.503 4.050 20 0 GIADRO O=C(Nc1ccc(Cl)cn1)C1CC[NH+](CCc2ccccc2Cl)CC1 ZINC000058908109 823469246 /nfs/dbraw/zinc/46/92/46/823469246.db2.gz BOTNECKVGLBPTG-UHFFFAOYSA-N 1 0 378.303 4.282 20 0 GIADRO CCOc1ccc(OCCCC(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000028164568 820314906 /nfs/dbraw/zinc/31/49/06/820314906.db2.gz PVHJGBZYPNIRCR-UHFFFAOYSA-N 1 0 382.504 4.479 20 0 GIADRO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1ccc(Cl)c(N2CCCC2=O)c1 ZINC000028171761 820315373 /nfs/dbraw/zinc/31/53/73/820315373.db2.gz IEHNFUHWWSUVJK-UHFFFAOYSA-N 1 0 397.906 4.315 20 0 GIADRO COc1ccc(CCCC(=O)NC[C@H](c2ccc(SC)cc2)[NH+](C)C)cc1 ZINC000573240072 823469448 /nfs/dbraw/zinc/46/94/48/823469448.db2.gz HAJXGGWLAZZOCU-OAQYLSRUSA-N 1 0 386.561 4.159 20 0 GIADRO CSC1(CNC(=O)Nc2ccc(C)c(OCCC(C)C)c2)CC[NH+](C)CC1 ZINC000573254611 823471548 /nfs/dbraw/zinc/47/15/48/823471548.db2.gz PODSZHCGRHSZKR-UHFFFAOYSA-N 1 0 393.597 4.369 20 0 GIADRO Cc1noc(C)c1C[C@@H](C)NC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000123147787 823469968 /nfs/dbraw/zinc/46/99/68/823469968.db2.gz HNXLFWHDJRLJPG-SJORKVTESA-N 1 0 398.551 4.096 20 0 GIADRO COc1ccc(OC)c(NC(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000410348815 823470000 /nfs/dbraw/zinc/47/00/00/823470000.db2.gz BFOZUQHBEMFYNN-KRWDZBQOSA-N 1 0 397.519 4.257 20 0 GIADRO Cc1ccc(C)c(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)c1 ZINC000028349283 820327854 /nfs/dbraw/zinc/32/78/54/820327854.db2.gz GZWKUQRSLFSCSF-SJORKVTESA-N 1 0 379.504 4.330 20 0 GIADRO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@@H](O)c1ccsc1 ZINC000123158840 823471581 /nfs/dbraw/zinc/47/15/81/823471581.db2.gz ACIVINPYXPUQFR-LJQANCHMSA-N 1 0 375.925 4.086 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc(NC(=O)C2CC2)cc1)C(=O)NCc1ccccc1Cl ZINC000028350468 820328492 /nfs/dbraw/zinc/32/84/92/820328492.db2.gz BOVNFIBHXGENFD-HUUCEWRRSA-N 1 0 399.922 4.044 20 0 GIADRO COc1ccc(-c2cc(C(=O)N3CCC[C@H]([NH+]4CCCC4)C3)sc2C)cc1 ZINC000058919866 823470394 /nfs/dbraw/zinc/47/03/94/823470394.db2.gz QPIQCPGLVDEWPC-SFHVURJKSA-N 1 0 384.545 4.433 20 0 GIADRO COc1ccc(CNC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000410349878 823470424 /nfs/dbraw/zinc/47/04/24/823470424.db2.gz RDQLAJROLBLPAC-SFHVURJKSA-N 1 0 381.520 4.069 20 0 GIADRO CCOc1ccc([C@H](C)NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000028390390 820331865 /nfs/dbraw/zinc/33/18/65/820331865.db2.gz HYHATVYEIDOWGB-SFHVURJKSA-N 1 0 381.520 4.242 20 0 GIADRO CCC(CC)CN(CC)C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000410355250 823471636 /nfs/dbraw/zinc/47/16/36/823471636.db2.gz ZCKQCTFTRIBLGP-KDURUIRLSA-N 1 0 389.584 4.264 20 0 GIADRO CC[C@@H](CNC(=O)N(C)Cc1ccc(Cl)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000028392642 820332268 /nfs/dbraw/zinc/33/22/68/820332268.db2.gz VYMCKYLKCNBKTN-NRFANRHFSA-N 1 0 385.939 4.318 20 0 GIADRO C[C@@H](NC(=O)NCc1cccc(C[NH+](C)C)c1)c1cccc(C(F)(F)F)c1 ZINC000028398705 820332611 /nfs/dbraw/zinc/33/26/11/820332611.db2.gz QCMCJQVQLHBPQT-CQSZACIVSA-N 1 0 379.426 4.327 20 0 GIADRO C[C@@H](Cc1cccs1)NC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000028414161 820334385 /nfs/dbraw/zinc/33/43/85/820334385.db2.gz HPMRDKCBRXTBBP-SFHVURJKSA-N 1 0 385.577 4.410 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N(C)CCc2ccccc2)C1 ZINC000410351593 823470754 /nfs/dbraw/zinc/47/07/54/823470754.db2.gz LWLSPBHNOGAOQR-FQEVSTJZSA-N 1 0 379.548 4.303 20 0 GIADRO Cc1ccc(SCCC(=O)NCc2cccc(OCC[NH+](C)C)c2)cc1C ZINC000058922238 823470786 /nfs/dbraw/zinc/47/07/86/823470786.db2.gz UCSOYBQPIAHLFM-UHFFFAOYSA-N 1 0 386.561 4.042 20 0 GIADRO CCOc1cccc(CNC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000410352638 823470902 /nfs/dbraw/zinc/47/09/02/823470902.db2.gz POZSPNLEKBWNKM-IBGZPJMESA-N 1 0 395.547 4.317 20 0 GIADRO CCN(C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)C1CCCCC1 ZINC000410354445 823471826 /nfs/dbraw/zinc/47/18/26/823471826.db2.gz QBSSHRSPUYOMMZ-KDURUIRLSA-N 1 0 387.568 4.160 20 0 GIADRO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000573258565 823471851 /nfs/dbraw/zinc/47/18/51/823471851.db2.gz IMWFYDWHSWJNAQ-AXNOTKAXSA-N 1 0 380.488 4.209 20 0 GIADRO COC(=O)c1cccc(NC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)c1 ZINC000410369359 823477174 /nfs/dbraw/zinc/47/71/74/823477174.db2.gz DSIJPVAXIGCIRD-KRWDZBQOSA-N 1 0 395.503 4.169 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Nc2ccc3c(c2)CCO3)C1 ZINC000410357813 823473089 /nfs/dbraw/zinc/47/30/89/823473089.db2.gz CEGWMFDLAFPEAE-QGZVFWFLSA-N 1 0 379.504 4.175 20 0 GIADRO CN(C)c1cc[n+](C(C(=O)c2ccc(C(C)(C)C)cc2)C(=S)NC2CC2)cc1 ZINC000028782486 820357670 /nfs/dbraw/zinc/35/76/70/820357670.db2.gz HJDVEWDWEUFLNZ-UHFFFAOYSA-O 1 0 396.580 4.028 20 0 GIADRO COC(=O)c1cccc(NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000410358323 823473380 /nfs/dbraw/zinc/47/33/80/823473380.db2.gz IJYGCYANLQPHRJ-QGZVFWFLSA-N 1 0 395.503 4.027 20 0 GIADRO C[N@H+](CCOc1ccccc1Cl)CCC(=O)Nc1ccc(Cl)cc1F ZINC000028901719 820370216 /nfs/dbraw/zinc/37/02/16/820370216.db2.gz NKRPJOJPCKBHLH-UHFFFAOYSA-N 1 0 385.266 4.472 20 0 GIADRO COc1cc(CCC2CC[NH+](C[C@@H](O)c3ccccc3F)CC2)cc(OC)c1 ZINC000028914726 820371946 /nfs/dbraw/zinc/37/19/46/820371946.db2.gz NJSCZPILYMAJCK-HSZRJFAPSA-N 1 0 387.495 4.221 20 0 GIADRO COc1cc(C[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)ccc1OC(F)F ZINC000028925347 820374595 /nfs/dbraw/zinc/37/45/95/820374595.db2.gz DAWQLEQJIHGXEY-CYBMUJFWSA-N 1 0 390.430 4.496 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3ccn(-c4ccccc4)n3)cc2)C1 ZINC000058949507 823474337 /nfs/dbraw/zinc/47/43/37/823474337.db2.gz DUEICNJMCKDQEG-LJQANCHMSA-N 1 0 388.515 4.034 20 0 GIADRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@@H](O)c1cccc(Br)c1 ZINC000028966090 820378267 /nfs/dbraw/zinc/37/82/67/820378267.db2.gz WQYWTWBBIJNIQD-SJKOYZFVSA-N 1 0 379.254 4.084 20 0 GIADRO COc1cc(OC)c(NC(=O)C[NH2+][C@@H](C)c2ccc(Cl)cc2)cc1Cl ZINC000028966231 820378337 /nfs/dbraw/zinc/37/83/37/820378337.db2.gz JFTFOCMOIXFSTA-NSHDSACASA-N 1 0 383.275 4.300 20 0 GIADRO CNC(=O)c1ccc(C[NH2+][C@@H](Cc2ccc(F)cc2)c2ccc(OC)cc2)cc1 ZINC000123179085 823474952 /nfs/dbraw/zinc/47/49/52/823474952.db2.gz NHTRSDFTYKKUJU-QHCPKHFHSA-N 1 0 392.474 4.268 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)C1 ZINC000058952448 823475001 /nfs/dbraw/zinc/47/50/01/823475001.db2.gz PILMAYGSTWMVPK-AOMKIAJQSA-N 1 0 398.934 4.192 20 0 GIADRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Nc2ccccc2N(C)C)C1 ZINC000410363707 823475220 /nfs/dbraw/zinc/47/52/20/823475220.db2.gz WSYXGDVOTDJWAJ-SFHVURJKSA-N 1 0 380.536 4.306 20 0 GIADRO Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000573280238 823475232 /nfs/dbraw/zinc/47/52/32/823475232.db2.gz FFPPQOBTYJOCRM-LBPRGKRZSA-N 1 0 382.291 4.028 20 0 GIADRO CCCCOc1c(Cl)cc(C(=O)NC2CC[NH+](C3CC3)CC2)cc1OCC ZINC000029090979 820391418 /nfs/dbraw/zinc/39/14/18/820391418.db2.gz LMJXGINBLIFOJU-UHFFFAOYSA-N 1 0 394.943 4.274 20 0 GIADRO O=C(CCCc1c[nH]c2ccccc12)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000029177341 820406424 /nfs/dbraw/zinc/40/64/24/820406424.db2.gz YELXERKIQBDAJY-QHCPKHFHSA-N 1 0 375.516 4.444 20 0 GIADRO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)c1cc(Br)ccc1F ZINC000029178220 820406951 /nfs/dbraw/zinc/40/69/51/820406951.db2.gz XCZGPXIMORRNEY-GOSISDBHSA-N 1 0 391.284 4.155 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H](c1nnc2ccccn21)C(C)C)CC3 ZINC000123190543 823476570 /nfs/dbraw/zinc/47/65/70/823476570.db2.gz VGWSTDXCNZSRRN-IVZQSRNASA-N 1 0 389.503 4.063 20 0 GIADRO Cc1oc(-c2ccccc2)nc1CC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000029192800 820409034 /nfs/dbraw/zinc/40/90/34/820409034.db2.gz CYLBJMKMCWGHDO-JOCHJYFZSA-N 1 0 389.499 4.146 20 0 GIADRO O=c1cc(C[NH+]2CCC(c3cccc4ccccc43)CC2)nc2sccn21 ZINC000058973108 823477612 /nfs/dbraw/zinc/47/76/12/823477612.db2.gz NFTKGLIFXJXUKB-UHFFFAOYSA-N 1 0 375.497 4.289 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCC1(c2ccc(F)cc2)CC1 ZINC000410372523 823478989 /nfs/dbraw/zinc/47/89/89/823478989.db2.gz OEJSUAUKCCSSJO-UHFFFAOYSA-N 1 0 383.511 4.197 20 0 GIADRO Cc1nc(-c2ccccc2)ccc1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000029368866 820445130 /nfs/dbraw/zinc/44/51/30/820445130.db2.gz AKMASGXPDDCMOZ-UHFFFAOYSA-N 1 0 395.572 4.148 20 0 GIADRO O=C(c1ccc2c(c1)C[NH2+]C2)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000573322188 823479789 /nfs/dbraw/zinc/47/97/89/823479789.db2.gz SIEZVEMHAKZLSF-IBGZPJMESA-N 1 0 378.369 4.020 20 0 GIADRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)CCCC[C@H]1CCSS1 ZINC000058991569 823480232 /nfs/dbraw/zinc/48/02/32/823480232.db2.gz YCVAZMLPYYCPEN-KRWDZBQOSA-N 1 0 384.586 4.430 20 0 GIADRO C[C@@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)N1CCC[N@@H+](C2CC2)CC1 ZINC000177516122 823480298 /nfs/dbraw/zinc/48/02/98/823480298.db2.gz PUFJXLDFKRBEMC-LBPRGKRZSA-N 1 0 381.307 4.275 20 0 GIADRO CC(C)[C@H]([NH2+]Cc1cc(Cl)cc(S(N)(=O)=O)c1)c1ccccc1Cl ZINC000573328257 823480386 /nfs/dbraw/zinc/48/03/86/823480386.db2.gz FXWZFXNYGNHAMO-KRWDZBQOSA-N 1 0 387.332 4.128 20 0 GIADRO COc1ccc([C@@H](CNC(=O)c2cc3cc(C)ccc3[nH]2)[NH+]2CCCCC2)cc1 ZINC000029511763 820466281 /nfs/dbraw/zinc/46/62/81/820466281.db2.gz JPTNHZNTYLHABW-HSZRJFAPSA-N 1 0 391.515 4.442 20 0 GIADRO COc1ccc([C@@H](CNC(=O)c2cc3c(cccc3F)[nH]2)[NH+]2CCCCC2)cc1 ZINC000029511729 820466315 /nfs/dbraw/zinc/46/63/15/820466315.db2.gz XKRUYQSJJAEJOM-JOCHJYFZSA-N 1 0 395.478 4.273 20 0 GIADRO C[C@H]1C[C@H](NC(=O)Nc2cccc(OCCF)c2)CC[N@@H+]1Cc1ccccc1 ZINC000123227325 823481564 /nfs/dbraw/zinc/48/15/64/823481564.db2.gz QLRAJPFFGXXMKV-FXAWDEMLSA-N 1 0 385.483 4.210 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1cc2cc(C)ccc2[nH]1)c1cccc(OC)c1 ZINC000029603568 820483108 /nfs/dbraw/zinc/48/31/08/820483108.db2.gz UEEFCAAXNVRSJC-JOCHJYFZSA-N 1 0 379.504 4.298 20 0 GIADRO CCC[C@H](NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)c1cccc(C(F)(F)F)c1 ZINC000573344714 823482270 /nfs/dbraw/zinc/48/22/70/823482270.db2.gz XWMUJBXKIMMYCG-HKUYNNGSSA-N 1 0 383.458 4.332 20 0 GIADRO C[C@@H](CCc1ccco1)NC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000410383212 823482302 /nfs/dbraw/zinc/48/23/02/823482302.db2.gz NWSBRRLXWYJPCK-MOPGFXCFSA-N 1 0 383.536 4.332 20 0 GIADRO CC[NH+](CC)[C@H](CNc1cc(C)nc2nc(C(F)(F)F)nn21)c1ccsc1 ZINC000029622849 820486323 /nfs/dbraw/zinc/48/63/23/820486323.db2.gz BDNQVSKFICSLHV-CYBMUJFWSA-N 1 0 398.458 4.008 20 0 GIADRO Cc1cc(N2CCN(c3ccc(Br)cn3)CC2)c2ccccc2[nH+]1 ZINC000029624978 820486947 /nfs/dbraw/zinc/48/69/47/820486947.db2.gz RMBVBLXXSWIRFV-UHFFFAOYSA-N 1 0 383.293 4.027 20 0 GIADRO C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1Cc1nnc(-c2ccc(Br)o2)o1 ZINC000177532927 823484327 /nfs/dbraw/zinc/48/43/27/823484327.db2.gz RZUDYHRCQIOSMI-TZMCWYRMSA-N 1 0 388.265 4.470 20 0 GIADRO Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000059037481 823484328 /nfs/dbraw/zinc/48/43/28/823484328.db2.gz JAWUBFIXGWIKFU-ZWKOTPCHSA-N 1 0 385.508 4.331 20 0 GIADRO CC1(C)CC[C@H](C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)O1 ZINC000189736063 823484488 /nfs/dbraw/zinc/48/44/88/823484488.db2.gz MAECLABGOKOJFV-OAQYLSRUSA-N 1 0 376.504 4.041 20 0 GIADRO C[C@@H](C1CC1)[N@H+](CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1)C1CC1 ZINC000029725317 820507176 /nfs/dbraw/zinc/50/71/76/820507176.db2.gz QNSYPGMSQJZNCI-KBXCAEBGSA-N 1 0 383.517 4.282 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)NCc1ccc(Cl)s1)c1cccc(OC)c1 ZINC000029731799 820508677 /nfs/dbraw/zinc/50/86/77/820508677.db2.gz FDRNISSPCBTCSO-QGZVFWFLSA-N 1 0 395.956 4.292 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCCc1ccc(F)cc1 ZINC000410393181 823484948 /nfs/dbraw/zinc/48/49/48/823484948.db2.gz OGOLMDYDZYHEEK-SFHVURJKSA-N 1 0 383.511 4.242 20 0 GIADRO CCCOc1ccc(C[NH2+]C2CCN(CC(F)(F)F)CC2)c(OC(F)F)c1 ZINC000123253345 823485888 /nfs/dbraw/zinc/48/58/88/823485888.db2.gz SBZJOXLYBGGNCJ-UHFFFAOYSA-N 1 0 396.400 4.193 20 0 GIADRO CC[C@H](NC(=O)NCc1ccc(OCC[NH+](C)C)cc1)c1ccc(Cl)cc1 ZINC000410397638 823486219 /nfs/dbraw/zinc/48/62/19/823486219.db2.gz LOLNHEJHEVDKHR-FQEVSTJZSA-N 1 0 389.927 4.231 20 0 GIADRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)CCc2ccccc2O)C1 ZINC000059286785 823489621 /nfs/dbraw/zinc/48/96/21/823489621.db2.gz IKIGHWIQKNUFQO-OALUTQOASA-N 1 0 380.532 4.119 20 0 GIADRO CC(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029827137 820526355 /nfs/dbraw/zinc/52/63/55/820526355.db2.gz VXOWRBIBBGROKX-HXUWFJFHSA-N 1 0 391.515 4.444 20 0 GIADRO Cc1ccccc1CN(C)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029830662 820528110 /nfs/dbraw/zinc/52/81/10/820528110.db2.gz MTTCCNVRRBLIBO-AZUAARDMSA-N 1 0 391.515 4.363 20 0 GIADRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1ccc(-c2ccc(F)cc2)o1 ZINC000029839562 820529339 /nfs/dbraw/zinc/52/93/39/820529339.db2.gz GBGDQJYQIZCFPI-UHFFFAOYSA-N 1 0 378.447 4.264 20 0 GIADRO C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+](C)CCCOc1ccccc1 ZINC000029854244 820532617 /nfs/dbraw/zinc/53/26/17/820532617.db2.gz GLTRLEJNVQHWOP-OAHLLOKOSA-N 1 0 380.410 4.433 20 0 GIADRO CC(C)c1ccc(OCCNC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)cc1 ZINC000123261613 823487176 /nfs/dbraw/zinc/48/71/76/823487176.db2.gz BTPFJDDQEBLVFY-UHFFFAOYSA-N 1 0 399.535 4.088 20 0 GIADRO O=C(COc1cc(Cl)ccc1Cl)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000029898340 820542875 /nfs/dbraw/zinc/54/28/75/820542875.db2.gz IAPWKGYHNFPZGH-MRXNPFEDSA-N 1 0 397.302 4.309 20 0 GIADRO CC[C@@H](C(=O)Nc1cccc(C(=O)NCC[NH+](CC)CC)c1)c1ccc(F)cc1 ZINC000460708528 823489794 /nfs/dbraw/zinc/48/97/94/823489794.db2.gz WZQQYDSGSCZNDL-OAQYLSRUSA-N 1 0 399.510 4.030 20 0 GIADRO CC[C@@H](CNC(=O)Cc1cccc(C(F)(F)F)c1)[N@@H+]1CCc2ccccc2C1 ZINC000029909475 820545991 /nfs/dbraw/zinc/54/59/91/820545991.db2.gz OBIZCEOKNXHNAK-FQEVSTJZSA-N 1 0 390.449 4.201 20 0 GIADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cc(NC(=O)CC(C)(C)C)ccc2Cl)C1 ZINC000177547563 823487879 /nfs/dbraw/zinc/48/78/79/823487879.db2.gz DQUOQJJPJCVUQV-GOEBONIOSA-N 1 0 393.959 4.317 20 0 GIADRO C[C@@H](C1CC1)n1cc(NC(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000189751427 823487903 /nfs/dbraw/zinc/48/79/03/823487903.db2.gz FGPRLEKOAWJDCB-KURKYZTESA-N 1 0 395.551 4.132 20 0 GIADRO CCN(CC)C(=O)[C@@H]([NH2+][C@@H]1c2ccccc2CC12CCOCC2)c1ccccc1 ZINC000573409793 823489822 /nfs/dbraw/zinc/48/98/22/823489822.db2.gz RSFKSBQVKAVOEI-XZOQPEGZSA-N 1 0 392.543 4.280 20 0 GIADRO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@H](O)c1cccc(OC(C)C)c1)CC3 ZINC000123269719 823488293 /nfs/dbraw/zinc/48/82/93/823488293.db2.gz BEDDIBDODRGELB-XDHUDOTRSA-N 1 0 394.515 4.144 20 0 GIADRO CC[NH+](CC)CCOc1ccc(CNC(=O)NC(C)(C)c2cccs2)cc1 ZINC000573402947 823488794 /nfs/dbraw/zinc/48/87/94/823488794.db2.gz OLVVKCTTYCASFF-UHFFFAOYSA-N 1 0 389.565 4.203 20 0 GIADRO CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)Cc1c[nH]c2ccccc12 ZINC000059287174 823489948 /nfs/dbraw/zinc/48/99/48/823489948.db2.gz HVLOSYONJSTUAH-HSZRJFAPSA-N 1 0 389.543 4.300 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)C2(c3cccc(Br)c3)CCCC2)CC[N@@H+]1C ZINC000123314794 823495301 /nfs/dbraw/zinc/49/53/01/823495301.db2.gz BJULKXJYIYDLTI-MAUKXSAKSA-N 1 0 393.369 4.202 20 0 GIADRO CCCc1c(C(=O)NCc2ccccc2C[NH+]2CCCCC2)[nH]c(C)c1C(C)=O ZINC000059363533 823493764 /nfs/dbraw/zinc/49/37/64/823493764.db2.gz QPQDTCDOAVOOKW-UHFFFAOYSA-N 1 0 395.547 4.394 20 0 GIADRO O=C(CC[N@@H+]1CCCN(Cc2ccc(Cl)cc2)CC1)Nc1ccc(F)cc1 ZINC000059374701 823494318 /nfs/dbraw/zinc/49/43/18/823494318.db2.gz VXAKUWQEQQILIH-UHFFFAOYSA-N 1 0 389.902 4.016 20 0 GIADRO Cc1noc(C)c1CSc1ccccc1C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000177576501 823494920 /nfs/dbraw/zinc/49/49/20/823494920.db2.gz LTZHMABCDJKBAL-DLBZAZTESA-N 1 0 387.549 4.186 20 0 GIADRO CC(C)c1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000123289902 823491098 /nfs/dbraw/zinc/49/10/98/823491098.db2.gz MXVKTMYMWCWSTO-RTBURBONSA-N 1 0 395.547 4.324 20 0 GIADRO O=c1cc(C[NH2+]CC2(c3ccccc3)CCOCC2)c2cc3c(cc2o1)CCC3 ZINC000030507866 820626719 /nfs/dbraw/zinc/62/67/19/820626719.db2.gz NFEMZDUJLXDNBG-UHFFFAOYSA-N 1 0 389.495 4.120 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2C)cc1Br ZINC000030509787 820627288 /nfs/dbraw/zinc/62/72/88/820627288.db2.gz UAWGEHJEJXKRTQ-UONOGXRCSA-N 1 0 391.309 4.444 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(F)c2)cc1Br ZINC000030510107 820627339 /nfs/dbraw/zinc/62/73/39/820627339.db2.gz RGXGMYMNXSRXCN-VXGBXAGGSA-N 1 0 395.272 4.275 20 0 GIADRO C[C@@H]([NH2+]CC1(N2CCSCC2)CCCC1)C(=O)Nc1cccc2ccccc21 ZINC000030513915 820628648 /nfs/dbraw/zinc/62/86/48/820628648.db2.gz PBZRKNKLMMYEGT-GOSISDBHSA-N 1 0 397.588 4.118 20 0 GIADRO C[C@H](NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)c1nnnn1C1CCCCC1 ZINC000189772820 823491989 /nfs/dbraw/zinc/49/19/89/823491989.db2.gz IDWYRDLPGSUCET-OALUTQOASA-N 1 0 396.583 4.404 20 0 GIADRO Cc1cc(Br)ccc1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000059403449 823495146 /nfs/dbraw/zinc/49/51/46/823495146.db2.gz AGOFKASFJZQDFQ-SFHVURJKSA-N 1 0 387.321 4.152 20 0 GIADRO COc1cccc2c1CCC[C@H]2[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000573430208 823492215 /nfs/dbraw/zinc/49/22/15/823492215.db2.gz XLJJJYPCDSAGKR-MRXNPFEDSA-N 1 0 390.277 4.354 20 0 GIADRO COc1cc([C@@H](C)[NH2+]C[C@H](O)COc2ccc(C)cc2C)ccc1OC(C)C ZINC000030533501 820634068 /nfs/dbraw/zinc/63/40/68/820634068.db2.gz IFABRIFZENKWOL-QUCCMNQESA-N 1 0 387.520 4.190 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(OCCF)c1 ZINC000123296172 823492418 /nfs/dbraw/zinc/49/24/18/823492418.db2.gz QPTZPIULHCWDJB-IBGZPJMESA-N 1 0 385.483 4.021 20 0 GIADRO C[N@@H+](Cc1ccco1)C[C@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000030538727 820635693 /nfs/dbraw/zinc/63/56/93/820635693.db2.gz AIXAVYWHVGOGFV-FQEVSTJZSA-N 1 0 387.426 4.157 20 0 GIADRO CC[N@H+](Cc1cc(=O)n2ccccc2n1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000123297040 823492446 /nfs/dbraw/zinc/49/24/46/823492446.db2.gz YOYMWXFRBRRLMD-AWEZNQCLSA-N 1 0 375.394 4.296 20 0 GIADRO Cc1c(C[NH2+]C2CCN(Cc3ccccc3)CC2)sc2nc(C)nc(C)c12 ZINC000030543560 820636528 /nfs/dbraw/zinc/63/65/28/820636528.db2.gz WZYDQTFWRKTQNC-UHFFFAOYSA-N 1 0 380.561 4.371 20 0 GIADRO Cc1cc(C[NH2+]Cc2ccc3c(c2)OCCO3)cc(C)c1OCc1ccccn1 ZINC000030544964 820637212 /nfs/dbraw/zinc/63/72/12/820637212.db2.gz DFVDMXHVESHVSX-UHFFFAOYSA-N 1 0 390.483 4.338 20 0 GIADRO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000177570474 823493404 /nfs/dbraw/zinc/49/34/04/823493404.db2.gz CJCFJCBUOIVGFS-STQMWFEESA-N 1 0 379.863 4.045 20 0 GIADRO Cc1c(C[NH2+]Cc2ccccc2Cn2cccn2)sc2nc(C)nc(C)c12 ZINC000030629101 820653663 /nfs/dbraw/zinc/65/36/63/820653663.db2.gz FCZAFXWAUGFKAK-UHFFFAOYSA-N 1 0 377.517 4.151 20 0 GIADRO c1ncn(Cc2ccc(C[NH2+]Cc3ccccc3OCc3ccccc3)cc2)n1 ZINC000030634054 820654859 /nfs/dbraw/zinc/65/48/59/820654859.db2.gz WOUXNLHZEWLMTG-UHFFFAOYSA-N 1 0 384.483 4.195 20 0 GIADRO CN(c1ccccc1)c1ccc(C[NH2+]Cc2ccc(Cn3cncn3)cc2)cc1 ZINC000030634126 820654942 /nfs/dbraw/zinc/65/49/42/820654942.db2.gz CZBZRVGSAWANIS-UHFFFAOYSA-N 1 0 383.499 4.384 20 0 GIADRO CN(c1ccc(NC(=O)c2c(F)c(F)cc(F)c2F)cc1)C1CC[NH+](C)CC1 ZINC000177582323 823496013 /nfs/dbraw/zinc/49/60/13/823496013.db2.gz ARTQKKDNMXATMV-UHFFFAOYSA-N 1 0 395.400 4.026 20 0 GIADRO O=C(CC[NH+]1CCC(OC[C@H]2CCCCO2)CC1)Nc1cccc2ccccc21 ZINC000177582367 823496028 /nfs/dbraw/zinc/49/60/28/823496028.db2.gz ZXIAXCHQOMKDQY-OAQYLSRUSA-N 1 0 396.531 4.219 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)cc1 ZINC000030686902 820666172 /nfs/dbraw/zinc/66/61/72/820666172.db2.gz PVVIKRLEEFVHHR-UHFFFAOYSA-N 1 0 388.515 4.334 20 0 GIADRO Cc1cccc2nc(C3CC[NH+]([C@H](C(=O)N(C)C)c4ccccc4)CC3)oc21 ZINC000189814168 823500273 /nfs/dbraw/zinc/50/02/73/823500273.db2.gz QXSWPXQLCFAOML-FQEVSTJZSA-N 1 0 377.488 4.145 20 0 GIADRO Cc1cccc2nc(C3CC[NH+](CCC(=O)N4CCc5ccccc54)CC3)oc21 ZINC000189800743 823496775 /nfs/dbraw/zinc/49/67/75/823496775.db2.gz JRIOEJFBWURHGF-UHFFFAOYSA-N 1 0 389.499 4.295 20 0 GIADRO Cc1cccc(OC[C@H](O)C[NH+]2CCC(c3nc4cccc(C)c4o3)CC2)c1 ZINC000189802045 823497043 /nfs/dbraw/zinc/49/70/43/823497043.db2.gz GGMYYWXNGQLUGZ-LJQANCHMSA-N 1 0 380.488 4.064 20 0 GIADRO CO[C@@H]1CCC[C@H](C(=O)N(c2cccc(SC)c2)C2CC[NH+](C)CC2)C1 ZINC000410465163 823497521 /nfs/dbraw/zinc/49/75/21/823497521.db2.gz FKMQGBMHENEWBH-QFBILLFUSA-N 1 0 376.566 4.041 20 0 GIADRO CSc1cccc(N(C(=O)[C@@H]2Cc3c(cccc3C)O2)C2CC[NH+](C)CC2)c1 ZINC000410473117 823497993 /nfs/dbraw/zinc/49/79/93/823497993.db2.gz UVLHVBVQTRYUMR-QFIPXVFZSA-N 1 0 396.556 4.148 20 0 GIADRO CO[C@@H](Cc1ccccc1)C(=O)N(c1cccc(SC)c1)C1CC[NH+](C)CC1 ZINC000410469395 823498098 /nfs/dbraw/zinc/49/80/98/823498098.db2.gz NJGPZRPXFGNIFT-QFIPXVFZSA-N 1 0 398.572 4.093 20 0 GIADRO CO[C@H]1CCCC[C@H]1C(=O)N(c1cccc(SC)c1)C1CC[NH+](C)CC1 ZINC000410473163 823498110 /nfs/dbraw/zinc/49/81/10/823498110.db2.gz UZQUKNDNRGDBLN-UXHICEINSA-N 1 0 376.566 4.041 20 0 GIADRO CCOc1ncccc1C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000030901481 820705480 /nfs/dbraw/zinc/70/54/80/820705480.db2.gz FGIFIUVIVWUSGH-UHFFFAOYSA-N 1 0 399.498 4.077 20 0 GIADRO C[C@H](C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1)c1cccc(Cl)c1 ZINC000460733191 823499045 /nfs/dbraw/zinc/49/90/45/823499045.db2.gz QKYVLSDVIRZOLM-IBGZPJMESA-N 1 0 399.966 4.162 20 0 GIADRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)NCCc2ccccc2)cc1 ZINC000031033327 820725446 /nfs/dbraw/zinc/72/54/46/820725446.db2.gz HLMWWYHXLOZRNS-UHFFFAOYSA-N 1 0 387.527 4.457 20 0 GIADRO O=C(NCc1ccc(F)cc1)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000031092639 820738973 /nfs/dbraw/zinc/73/89/73/820738973.db2.gz SENOOSXBOPVUDR-LJQANCHMSA-N 1 0 375.875 4.115 20 0 GIADRO COc1cccc([C@H](C)CC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000177629186 823504317 /nfs/dbraw/zinc/50/43/17/823504317.db2.gz UEHMSBWZVWIHKZ-QZTJIDSGSA-N 1 0 386.561 4.279 20 0 GIADRO Cc1nc(Cc2ccccc2)sc1C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000031116235 820745592 /nfs/dbraw/zinc/74/55/92/820745592.db2.gz LVEPNLDAHOOTSV-UHFFFAOYSA-N 1 0 379.529 4.034 20 0 GIADRO CC[C@H](NC(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1ccccc1OC ZINC000031124776 820747099 /nfs/dbraw/zinc/74/70/99/820747099.db2.gz TUTIGVCLQZUBEQ-NRFANRHFSA-N 1 0 381.520 4.242 20 0 GIADRO Cc1cc(C)c(Br)c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000460756007 823504827 /nfs/dbraw/zinc/50/48/27/823504827.db2.gz NQEMBTCXWBLOOA-QGZVFWFLSA-N 1 0 387.321 4.070 20 0 GIADRO CC[C@@H](C(=O)Nc1ccc(C(=O)NCC[NH+](CC)CC)cc1)c1ccc(F)cc1 ZINC000460756262 823504857 /nfs/dbraw/zinc/50/48/57/823504857.db2.gz GQWSGIKQXQIHLH-OAQYLSRUSA-N 1 0 399.510 4.030 20 0 GIADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000060061826 823506240 /nfs/dbraw/zinc/50/62/40/823506240.db2.gz JYLIEKOAQCSGDW-UMVBOHGHSA-N 1 0 391.364 4.019 20 0 GIADRO O=C(Cc1c(Cl)cccc1Cl)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000059885231 823501379 /nfs/dbraw/zinc/50/13/79/823501379.db2.gz QGOZFRXMVLGMKY-UHFFFAOYSA-N 1 0 395.305 4.456 20 0 GIADRO Cc1c(C(=O)Nc2ccc(C)cc2C[NH+](C)C)cnn1-c1cc(C)ccc1C ZINC000123363443 823501623 /nfs/dbraw/zinc/50/16/23/823501623.db2.gz VGXHZHMTCKHRKM-UHFFFAOYSA-N 1 0 376.504 4.420 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000059886150 823501633 /nfs/dbraw/zinc/50/16/33/823501633.db2.gz FRUVLNBIHBPHSW-SFHVURJKSA-N 1 0 378.875 4.056 20 0 GIADRO COc1cc(C(=O)Nc2ccccc2C[NH+](C)C)ccc1OCc1cscn1 ZINC000031231342 820774966 /nfs/dbraw/zinc/77/49/66/820774966.db2.gz OMYKLQAKDVSUFN-UHFFFAOYSA-N 1 0 397.500 4.045 20 0 GIADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc(Cl)c3cc(Cl)ccc3n2)C1 ZINC000410594121 823505819 /nfs/dbraw/zinc/50/58/19/823505819.db2.gz SZCICPYCZWDBNL-KPZWWZAWSA-N 1 0 378.303 4.098 20 0 GIADRO COc1ccc(CN(C(=O)C[N@@H+]2CCC[C@H]2c2cccc(OC)c2)C2CC2)cc1 ZINC000123366799 823502075 /nfs/dbraw/zinc/50/20/75/823502075.db2.gz HFHQOBSHGWDDNS-QHCPKHFHSA-N 1 0 394.515 4.032 20 0 GIADRO Cc1cc(CCCC(=O)N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c(C)s1 ZINC000177639260 823505873 /nfs/dbraw/zinc/50/58/73/823505873.db2.gz XSMOMFMWJRUGDL-IRXDYDNUSA-N 1 0 392.609 4.035 20 0 GIADRO COc1cc([C@@H](C)[NH2+]C[C@@H](O)CC(F)(F)F)ccc1OCc1ccccc1 ZINC000189829550 823503173 /nfs/dbraw/zinc/50/31/73/823503173.db2.gz WHJVQJBJKRDTKC-PBHICJAKSA-N 1 0 383.410 4.238 20 0 GIADRO Cc1ccc(-c2cc(C(=O)N3CCC[N@H+](Cc4ccccc4C)CC3)on2)cc1 ZINC000031417275 820808409 /nfs/dbraw/zinc/80/84/09/820808409.db2.gz PPZRUPCFDYTNJP-UHFFFAOYSA-N 1 0 389.499 4.307 20 0 GIADRO COc1cnccc1[C@H](C)NC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000189855366 823506528 /nfs/dbraw/zinc/50/65/28/823506528.db2.gz BWGPQCUUPGVCLZ-SFHVURJKSA-N 1 0 396.535 4.027 20 0 GIADRO COc1ccc2sc(C(=O)NC[C@@H](Cc3ccccc3)[NH+](C)C)c(C)c2c1 ZINC000460785696 823511805 /nfs/dbraw/zinc/51/18/05/823511805.db2.gz YEHMIUGQBXNRJG-QGZVFWFLSA-N 1 0 382.529 4.121 20 0 GIADRO Cc1cccc(N2CC[NH+](CCCNC(=O)[C@@H](C)c3cccc(Cl)c3)CC2)c1 ZINC000460767693 823507067 /nfs/dbraw/zinc/50/70/67/823507067.db2.gz JTGJAURONVCSTM-IBGZPJMESA-N 1 0 399.966 4.080 20 0 GIADRO Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000060092950 823507714 /nfs/dbraw/zinc/50/77/14/823507714.db2.gz NYWWPZVXUKAYOT-MRXNPFEDSA-N 1 0 388.943 4.076 20 0 GIADRO C/C(=C\C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1cccc(F)c1 ZINC000177674337 823511964 /nfs/dbraw/zinc/51/19/64/823511964.db2.gz YSTKABQWXNKPMO-SFQUDFHCSA-N 1 0 382.479 4.072 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)CCc1nc2ccccc2s1)Cc1ccccc1 ZINC000031657890 820840589 /nfs/dbraw/zinc/84/05/89/820840589.db2.gz YVZOCZJXBQDHQE-LJQANCHMSA-N 1 0 395.572 4.298 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)Cc2csc(-c3ccc(Cl)s3)n2)CC[N@@H+]1C ZINC000124080753 823565748 /nfs/dbraw/zinc/56/57/48/823565748.db2.gz HEXOAQVVAGJZTD-DGCLKSJQSA-N 1 0 383.970 4.009 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1C)c1ccco1 ZINC000060157102 823510420 /nfs/dbraw/zinc/51/04/20/823510420.db2.gz PGYVLTKFLHBYLT-NVXWUHKLSA-N 1 0 378.900 4.208 20 0 GIADRO COc1ccc(Cl)cc1C1(C[NH2+]Cc2sc(C)nc2C)CCOCC1 ZINC000123455010 823510788 /nfs/dbraw/zinc/51/07/88/823510788.db2.gz CJPLXYIVGVUWOL-UHFFFAOYSA-N 1 0 380.941 4.260 20 0 GIADRO Cc1ccccc1C(=O)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000031956714 820879203 /nfs/dbraw/zinc/87/92/03/820879203.db2.gz NGCCWCXYGQWXHT-UHFFFAOYSA-N 1 0 399.538 4.247 20 0 GIADRO O=C(CSCc1cccc(Cl)c1)NCC1([NH+]2CCSCC2)CCCC1 ZINC000031960888 820880546 /nfs/dbraw/zinc/88/05/46/820880546.db2.gz OXVKZNWPYSNDEE-UHFFFAOYSA-N 1 0 399.025 4.051 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(-c2ccccc2F)on1)c1ccsc1 ZINC000031983276 820882964 /nfs/dbraw/zinc/88/29/64/820882964.db2.gz HGDBQSNMASLXBP-SFHVURJKSA-N 1 0 387.480 4.355 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1csc(Br)c1)c1ccsc1 ZINC000031983947 820883446 /nfs/dbraw/zinc/88/34/46/820883446.db2.gz NWICGJURAVIDHI-ZDUSSCGKSA-N 1 0 387.368 4.385 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(-c2ccc(F)cc2)n[nH]1)c1ccsc1 ZINC000031983381 820883922 /nfs/dbraw/zinc/88/39/22/820883922.db2.gz IHEBWAVZCSELPL-IBGZPJMESA-N 1 0 386.496 4.090 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1cc2cc(OC)ccc2nc1C)c1ccsc1 ZINC000031985148 820884004 /nfs/dbraw/zinc/88/40/04/820884004.db2.gz AOSBSFQECGQWST-OAQYLSRUSA-N 1 0 397.544 4.426 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)CCc1cnn(-c2ccccc2)c1)c1ccsc1 ZINC000031985765 820884518 /nfs/dbraw/zinc/88/45/18/820884518.db2.gz QOKZUYAPDSGVQU-OAQYLSRUSA-N 1 0 396.560 4.066 20 0 GIADRO COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H](C)C[C@@H](C)O)cc1 ZINC000123465598 823511704 /nfs/dbraw/zinc/51/17/04/823511704.db2.gz CCOUWSAGPOORQB-ZWKOTPCHSA-N 1 0 379.504 4.045 20 0 GIADRO Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C[NH2+][C@H]1CCC[C@@H]1CCO ZINC000189962962 823518401 /nfs/dbraw/zinc/51/84/01/823518401.db2.gz BSVLNPVDWKIRHI-QAPCUYQASA-N 1 0 382.335 4.187 20 0 GIADRO O=C(NCc1ccccc1Cl)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000060244786 823513157 /nfs/dbraw/zinc/51/31/57/823513157.db2.gz MPMOAFAUDNDKBC-HNNXBMFYSA-N 1 0 377.941 4.113 20 0 GIADRO CCOC(=O)c1csc(CC[NH2+][C@@H](Cc2ccccc2)c2ccccc2)n1 ZINC000189914606 823513215 /nfs/dbraw/zinc/51/32/15/823513215.db2.gz NTAOOBGVCCSVKU-IBGZPJMESA-N 1 0 380.513 4.436 20 0 GIADRO CC(C)N1CCC[C@H]([NH+]2CCC(c3nc4cc(Cl)ccc4o3)CC2)C1=O ZINC000177687491 823513733 /nfs/dbraw/zinc/51/37/33/823513733.db2.gz FMGMIEVOCZMBLJ-KRWDZBQOSA-N 1 0 375.900 4.060 20 0 GIADRO O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)c1c(F)ccc(F)c1F ZINC000123527673 823517812 /nfs/dbraw/zinc/51/78/12/823517812.db2.gz QFXMMLFOEQADPD-UHFFFAOYSA-N 1 0 396.840 4.399 20 0 GIADRO CCc1ccc([C@@H](CNC(=O)c2c[nH]cc2-c2ccc(F)cc2)[NH+](C)C)cc1 ZINC000460793801 823514020 /nfs/dbraw/zinc/51/40/20/823514020.db2.gz VWSUYBKLHUZQQB-JOCHJYFZSA-N 1 0 379.479 4.416 20 0 GIADRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)Nc2c3c(ccc2Cl)OCC3)[C@H](C(F)(F)F)C1 ZINC000410802633 823514639 /nfs/dbraw/zinc/51/46/39/823514639.db2.gz QKJZBOASGGQNFH-VXGBXAGGSA-N 1 0 390.833 4.122 20 0 GIADRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1ccc(C2SCCS2)cc1 ZINC000032399637 820933751 /nfs/dbraw/zinc/93/37/51/820933751.db2.gz SENXTBHPXYPCLQ-UHFFFAOYSA-N 1 0 398.597 4.343 20 0 GIADRO CC[C@@H](CNC(=O)CCC(=O)c1ccc(Cl)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000032445871 820945687 /nfs/dbraw/zinc/94/56/87/820945687.db2.gz SZAOKUWBZPEHNU-NRFANRHFSA-N 1 0 398.934 4.256 20 0 GIADRO C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000032476989 820954951 /nfs/dbraw/zinc/95/49/51/820954951.db2.gz BQUFAQUUYAYWEB-UKRRQHHQSA-N 1 0 397.302 4.307 20 0 GIADRO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000032480485 820956334 /nfs/dbraw/zinc/95/63/34/820956334.db2.gz KTRZSDRILZKUKO-BBRMVZONSA-N 1 0 381.303 4.180 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)CCCc1ncc(-c2ccccc2)o1)c1ccccc1 ZINC000032480447 820956482 /nfs/dbraw/zinc/95/64/82/820956482.db2.gz RYPVBLNAMICQMX-FQEVSTJZSA-N 1 0 377.488 4.083 20 0 GIADRO C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000032486024 820957915 /nfs/dbraw/zinc/95/79/15/820957915.db2.gz YVLDMLDYBONGDA-YPMHNXCESA-N 1 0 387.332 4.241 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)c2cc(SC)ccc2Cl)CC1 ZINC000032504929 820961965 /nfs/dbraw/zinc/96/19/65/820961965.db2.gz PFTCJTRLBGSCTG-UHFFFAOYSA-N 1 0 389.952 4.456 20 0 GIADRO O=C(Nc1ccc(NC[C@@H]2CCCO2)c(F)c1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000177726828 823517518 /nfs/dbraw/zinc/51/75/18/823517518.db2.gz SKJMBFWJYPQLBI-APWZRJJASA-N 1 0 389.515 4.010 20 0 GIADRO Fc1cc(Br)cc(CN2CCC[C@H](c3nnc4ccccn43)C2)c1 ZINC000177736618 823518529 /nfs/dbraw/zinc/51/85/29/823518529.db2.gz ODPWBSBYHXHIHK-AWEZNQCLSA-N 1 0 389.272 4.011 20 0 GIADRO Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C[NH2+][C@H]1CCC[C@H]1CCO ZINC000189962989 823518579 /nfs/dbraw/zinc/51/85/79/823518579.db2.gz BSVLNPVDWKIRHI-YJBOKZPZSA-N 1 0 382.335 4.187 20 0 GIADRO COc1cc(F)c([C@H](C)[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)cc1OC ZINC000177746616 823519819 /nfs/dbraw/zinc/51/98/19/823519819.db2.gz KPEZRESWOHOYHX-GJZGRUSLSA-N 1 0 386.467 4.382 20 0 GIADRO Cc1nc([C@@H]2CCCN2C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cs1 ZINC000189974540 823519918 /nfs/dbraw/zinc/51/99/18/823519918.db2.gz ZRCGQGOBXWYZDT-DLBZAZTESA-N 1 0 390.578 4.197 20 0 GIADRO CCCOc1c(Cl)cc(C[NH+]2CCC(Cn3cncn3)CC2)cc1OCC ZINC000189977900 823520367 /nfs/dbraw/zinc/52/03/67/823520367.db2.gz VZAFGFSETYFJDJ-UHFFFAOYSA-N 1 0 392.931 4.031 20 0 GIADRO Cc1ccc(-c2nc(CC(=O)NC[C@H](c3cccc(F)c3)[NH+](C)C)cs2)cc1 ZINC000032729682 820998605 /nfs/dbraw/zinc/99/86/05/820998605.db2.gz IAMCADVAITXDSC-HXUWFJFHSA-N 1 0 397.519 4.219 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)/C=C/c1ccccc1OC(F)(F)F)c1cccc(F)c1 ZINC000032731761 820999541 /nfs/dbraw/zinc/99/95/41/820999541.db2.gz SBKUJBCNABHLIQ-SXSDINLZSA-N 1 0 396.384 4.157 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)[C@@H](C)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000460816849 823520484 /nfs/dbraw/zinc/52/04/84/823520484.db2.gz XJVCCTDZPSRWHX-YWZLYKJASA-N 1 0 388.458 4.030 20 0 GIADRO Cc1nc(COc2cccc(C(=O)NC[C@H](C)[N@@H+]3CCCC[C@H]3C)c2)cs1 ZINC000032734309 821000488 /nfs/dbraw/zinc/00/04/88/821000488.db2.gz VDJREAZQSICBAK-CVEARBPZSA-N 1 0 387.549 4.023 20 0 GIADRO C[C@@H](CNC(=O)c1ccccc1SCc1cscn1)[N@@H+]1CCCC[C@@H]1C ZINC000032737161 821000922 /nfs/dbraw/zinc/00/09/22/821000922.db2.gz LGUZIVZVOXXOLR-HOTGVXAUSA-N 1 0 389.590 4.428 20 0 GIADRO C[C@@H](CNC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)[N@@H+]1CCCC[C@H]1C ZINC000032735084 821001246 /nfs/dbraw/zinc/00/12/46/821001246.db2.gz QUJCVOPGDYTRTB-CVEARBPZSA-N 1 0 389.927 4.307 20 0 GIADRO C[C@@H](CNC(=O)CCc1ncc(-c2ccccc2Cl)o1)[N@@H+]1CCCC[C@@H]1C ZINC000032735090 821001380 /nfs/dbraw/zinc/00/13/80/821001380.db2.gz CTCCOOGMMLFNFP-HOTGVXAUSA-N 1 0 389.927 4.307 20 0 GIADRO C[C@@H]([NH2+]C[C@H](O)c1ccc(F)c(F)c1)c1ccc(OCC(F)(F)F)cc1 ZINC000177753456 823520827 /nfs/dbraw/zinc/52/08/27/823520827.db2.gz IDMQAMXHWHABLI-DIFFPNOSSA-N 1 0 375.337 4.290 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)c2cc3c(cccc3OC(F)F)[nH]2)CC1 ZINC000123584411 823523802 /nfs/dbraw/zinc/52/38/02/823523802.db2.gz NXFBIBBDENTNIL-UHFFFAOYSA-N 1 0 393.478 4.353 20 0 GIADRO O=C(COc1ccc(Cl)cc1Cl)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000032763408 821005289 /nfs/dbraw/zinc/00/52/89/821005289.db2.gz FYFKWPXNTSRHRY-HNNXBMFYSA-N 1 0 399.343 4.387 20 0 GIADRO Cc1ccc(-n2ncc(C(=O)N3CC[C@H]([NH+]4CCCC4)C3)c2C2CC2)cc1Cl ZINC000060374030 823521075 /nfs/dbraw/zinc/52/10/75/823521075.db2.gz KUXVHOMAQSOLJK-SFHVURJKSA-N 1 0 398.938 4.022 20 0 GIADRO CCCC[N@H+](C)CC(=O)N1N=C(c2cc3ccccc3o2)C[C@@H]1c1ccco1 ZINC000032799809 821009233 /nfs/dbraw/zinc/00/92/33/821009233.db2.gz PGYRWNQCOITMGT-GOSISDBHSA-N 1 0 379.460 4.435 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1)c1cnn(Cc2ccccc2)c1 ZINC000177756226 823521446 /nfs/dbraw/zinc/52/14/46/823521446.db2.gz RVZTWONDVJGYKK-QZTJIDSGSA-N 1 0 390.487 4.300 20 0 GIADRO Cc1ccnc(Oc2ccc(NC(=O)N3CCC[N@@H+](C4CCCC4)CC3)cc2)n1 ZINC000177763009 823522238 /nfs/dbraw/zinc/52/22/38/823522238.db2.gz QVJOPJAHBQATKM-UHFFFAOYSA-N 1 0 395.507 4.060 20 0 GIADRO CCn1nc(C(C)C)cc1C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000033010060 821026014 /nfs/dbraw/zinc/02/60/14/821026014.db2.gz NBWBNPKSXPQPNV-UHFFFAOYSA-N 1 0 382.552 4.188 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)CC1 ZINC000060404031 823524014 /nfs/dbraw/zinc/52/40/14/823524014.db2.gz ZSMVWUKXNMKLMP-IBGZPJMESA-N 1 0 380.532 4.454 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)[C@H](C)Sc2ccc(OC)cc2)CC1 ZINC000123570330 823522592 /nfs/dbraw/zinc/52/25/92/823522592.db2.gz FATQPIZUILHVHR-KRWDZBQOSA-N 1 0 378.582 4.146 20 0 GIADRO Cc1cc(C)c(Br)c(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)c1 ZINC000123580366 823523461 /nfs/dbraw/zinc/52/34/61/823523461.db2.gz QQZLUMMNAXVYAH-UHFFFAOYSA-N 1 0 393.300 4.197 20 0 GIADRO C[C@H]1[C@@H](C(=O)NCc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)C1(F)F ZINC000460853312 823529056 /nfs/dbraw/zinc/52/90/56/823529056.db2.gz GXCUNZNTVATYIS-KKSFZXQISA-N 1 0 384.470 4.467 20 0 GIADRO CCCCOc1c(Cl)cc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000123650829 823529223 /nfs/dbraw/zinc/52/92/23/823529223.db2.gz ZBCQKAXRUHLXEM-GDBMZVCRSA-N 1 0 382.932 4.082 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CCSc1ccc(F)cc1 ZINC000036666448 821074785 /nfs/dbraw/zinc/07/47/85/821074785.db2.gz OZUOESCTYJPYLQ-UHFFFAOYSA-N 1 0 387.524 4.007 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)c1cc(Br)ccc1F ZINC000177775058 823524257 /nfs/dbraw/zinc/52/42/57/823524257.db2.gz MRGNBKVRHMCVAV-CYBMUJFWSA-N 1 0 389.272 4.079 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]Cc1ccc(Cn2cncn2)cc1 ZINC000177774850 823524363 /nfs/dbraw/zinc/52/43/63/823524363.db2.gz KHFUSFSAOYDYNS-HNNXBMFYSA-N 1 0 390.516 4.004 20 0 GIADRO Cc1cccc2c1OCC[C@H]2NC(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000190006279 823524740 /nfs/dbraw/zinc/52/47/40/823524740.db2.gz LTLGYWFMDQYLMC-OAQYLSRUSA-N 1 0 381.520 4.158 20 0 GIADRO O=C(c1ccc2noc(-c3ccc(F)cc3)c2c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000123600975 823524875 /nfs/dbraw/zinc/52/48/75/823524875.db2.gz ICOICLBRZQCACL-MRXNPFEDSA-N 1 0 393.462 4.192 20 0 GIADRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)CCOc3ccccc3F)cc2)C1 ZINC000060414225 823524941 /nfs/dbraw/zinc/52/49/41/823524941.db2.gz YNVHSMJUEUSIDL-GOSISDBHSA-N 1 0 384.495 4.143 20 0 GIADRO C[C@@H]([NH2+]C[C@H](O)c1ccccc1C(F)(F)F)c1ccc(N2CCOC2=O)cc1 ZINC000177779171 823525030 /nfs/dbraw/zinc/52/50/30/823525030.db2.gz PZUMTPKIVNGIGB-ACJLOTCBSA-N 1 0 394.393 4.046 20 0 GIADRO O=C(CCC(=O)c1ccc(Cl)cc1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000036883629 821088579 /nfs/dbraw/zinc/08/85/79/821088579.db2.gz RASKYHNLODFXSE-HXUWFJFHSA-N 1 0 384.907 4.256 20 0 GIADRO O=C(CSc1nc2ccccc2s1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000036883706 821089185 /nfs/dbraw/zinc/08/91/85/821089185.db2.gz BGURZNMCNWEMRY-SFHVURJKSA-N 1 0 397.569 4.342 20 0 GIADRO COc1cccc([C@H](CNC(=O)c2oc3ccc(F)cc3c2C)[NH+]2CCCC2)c1 ZINC000037123770 821090121 /nfs/dbraw/zinc/09/01/21/821090121.db2.gz CGOPSJRJSBKICL-FQEVSTJZSA-N 1 0 396.462 4.456 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)c1ccccc1C(F)(F)F)c1ccc(N2CCCC2=O)cc1 ZINC000177779927 823525397 /nfs/dbraw/zinc/52/53/97/823525397.db2.gz LGSRWOWLIQAOFO-IFXJQAMLSA-N 1 0 392.421 4.216 20 0 GIADRO O[C@@H](C[NH2+]Cc1ccc(Br)s1)c1ccc(C(F)(F)F)cc1 ZINC000037998530 821093942 /nfs/dbraw/zinc/09/39/42/821093942.db2.gz HGLHVNFAYHJFOA-LBPRGKRZSA-N 1 0 380.229 4.353 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)COc2ccccc2Cl)cc1 ZINC000060425945 823525929 /nfs/dbraw/zinc/52/59/29/823525929.db2.gz QEHVYJNOAOOQMO-QGZVFWFLSA-N 1 0 386.923 4.410 20 0 GIADRO COc1ccccc1OCCC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000060425974 823525962 /nfs/dbraw/zinc/52/59/62/823525962.db2.gz ONRPKHSVSGVLKT-LJQANCHMSA-N 1 0 396.531 4.155 20 0 GIADRO COc1ccc(CNC(=S)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)cc1 ZINC000060431311 823526768 /nfs/dbraw/zinc/52/67/68/823526768.db2.gz UNFPTZOGOIIVOV-JOCHJYFZSA-N 1 0 397.588 4.133 20 0 GIADRO Cn1ccc2cccc(NC(=O)NCC3CC[NH+](Cc4cccs4)CC3)c21 ZINC000190022341 823527071 /nfs/dbraw/zinc/52/70/71/823527071.db2.gz CVXFHWXSBIVBGC-UHFFFAOYSA-N 1 0 382.533 4.274 20 0 GIADRO COC(=O)C[C@@](C)([NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1)c1ccncc1 ZINC000190022900 823527306 /nfs/dbraw/zinc/52/73/06/823527306.db2.gz XBPMGYHOYFDJJW-QGZVFWFLSA-N 1 0 386.801 4.322 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]C[C@H](O)COc1ccccc1 ZINC000177797018 823527317 /nfs/dbraw/zinc/52/73/17/823527317.db2.gz JUERNBYQTOEVDR-KDOFPFPSSA-N 1 0 386.492 4.348 20 0 GIADRO O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)Nc1cccc(C(F)F)c1 ZINC000177821700 823530996 /nfs/dbraw/zinc/53/09/96/823530996.db2.gz KQZLKSOSGDDDGU-UHFFFAOYSA-N 1 0 381.467 4.028 20 0 GIADRO COc1ccc(C[N@@H+]2CCCN(Cc3ccc(OC(F)F)cc3)CC2)cc1 ZINC000060466902 823531456 /nfs/dbraw/zinc/53/14/56/823531456.db2.gz UVCGUOBFQLHRCR-UHFFFAOYSA-N 1 0 376.447 4.005 20 0 GIADRO C[C@@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)c1cc(Br)ccc1F ZINC000177824053 823531493 /nfs/dbraw/zinc/53/14/93/823531493.db2.gz RDZAWVRJYUJJIZ-GFCCVEGCSA-N 1 0 395.272 4.137 20 0 GIADRO COc1ccc(C(=O)C2CC[NH+](Cc3ccc(OC(F)F)cc3)CC2)cc1 ZINC000060466790 823531567 /nfs/dbraw/zinc/53/15/67/823531567.db2.gz WCUARLADNHMMIY-UHFFFAOYSA-N 1 0 375.415 4.392 20 0 GIADRO COc1ccccc1[C@H]1CCN(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)C1 ZINC000123687291 823531699 /nfs/dbraw/zinc/53/16/99/823531699.db2.gz UFLHUDCDTUAALO-NRFANRHFSA-N 1 0 395.547 4.235 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CCOc1ccccc1F ZINC000060475315 823532134 /nfs/dbraw/zinc/53/21/34/823532134.db2.gz LFCPKBBWIAHSOF-GOSISDBHSA-N 1 0 384.495 4.285 20 0 GIADRO CCOc1ccc(OCC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000060475267 823532138 /nfs/dbraw/zinc/53/21/38/823532138.db2.gz FMHMTFHVHMXNBM-LJQANCHMSA-N 1 0 396.531 4.155 20 0 GIADRO CCS[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000190060721 823532261 /nfs/dbraw/zinc/53/22/61/823532261.db2.gz LUHRBCLGBXZUNV-LPEHRKFASA-N 1 0 396.425 4.363 20 0 GIADRO CN(C)C(=O)c1cccc(C[NH2+]C(C)(C)c2ccc(Br)cc2)c1 ZINC000060478173 823532554 /nfs/dbraw/zinc/53/25/54/823532554.db2.gz IEZJVVLUQLXGGZ-UHFFFAOYSA-N 1 0 375.310 4.176 20 0 GIADRO O=C([C@@H]1CCSc2ccccc21)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000460868774 823532737 /nfs/dbraw/zinc/53/27/37/823532737.db2.gz CWFKLRLAOQVATI-JOCHJYFZSA-N 1 0 394.584 4.433 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)c2ccc3[nH]c(C)c(C)c3c2)CC1 ZINC000040564206 821162295 /nfs/dbraw/zinc/16/22/95/821162295.db2.gz GPXILQQWAZXHMF-UHFFFAOYSA-N 1 0 376.504 4.179 20 0 GIADRO O=C(COc1ccc(-c2ccccc2)cc1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000040653955 821163226 /nfs/dbraw/zinc/16/32/26/821163226.db2.gz ZYNUILOVOWOWRR-QFIPXVFZSA-N 1 0 390.483 4.279 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1ccc2nc(C)c(C)nc2c1)c1ccccc1 ZINC000040654284 821163284 /nfs/dbraw/zinc/16/32/84/821163284.db2.gz LTLIXIHFJUBPMD-JOCHJYFZSA-N 1 0 376.504 4.060 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1cc(F)cc(Br)c1 ZINC000060506453 823535702 /nfs/dbraw/zinc/53/57/02/823535702.db2.gz SUZAGLCDPUNBLO-UHFFFAOYSA-N 1 0 391.284 4.114 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(NC(=O)c2ccco2)cc1)c1ccc2c(c1)OCCO2 ZINC000177838269 823534320 /nfs/dbraw/zinc/53/43/20/823534320.db2.gz DULUTLJRBBJKGT-HNNXBMFYSA-N 1 0 378.428 4.154 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)CC[N@@H+]1C ZINC000123714394 823534382 /nfs/dbraw/zinc/53/43/82/823534382.db2.gz UXJYPHUFBISMIT-XTFFSAJJSA-N 1 0 392.543 4.310 20 0 GIADRO Cc1ccccc1C[N@H+]1CCCN(C(=O)c2ccc(COC(C)C)cc2)CC1 ZINC000041315095 821182445 /nfs/dbraw/zinc/18/24/45/821182445.db2.gz XIEXPGWMHGUYDW-UHFFFAOYSA-N 1 0 380.532 4.268 20 0 GIADRO COCCC[C@H]([NH2+]Cc1cccc(CO)c1)c1ccc(Br)cc1 ZINC000177840553 823534492 /nfs/dbraw/zinc/53/44/92/823534492.db2.gz GRDYXNYCCCKUSE-IBGZPJMESA-N 1 0 378.310 4.199 20 0 GIADRO CCC[NH+]1CCN(c2ccc(NC(=O)c3cscc3C)c(OCC)c2)CC1 ZINC000190078692 823534815 /nfs/dbraw/zinc/53/48/15/823534815.db2.gz YWVJVVOABGYWTN-UHFFFAOYSA-N 1 0 387.549 4.240 20 0 GIADRO COc1ccc(-c2nc3c(s2)[C@@H]([NH2+]Cc2ccnc(OC)c2)CCC3)cc1 ZINC000177842116 823534888 /nfs/dbraw/zinc/53/48/88/823534888.db2.gz YGUYKRIMSNNHKU-KRWDZBQOSA-N 1 0 381.501 4.390 20 0 GIADRO Cc1cccc(C(C)C)c1NC(=O)C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000041488499 821197571 /nfs/dbraw/zinc/19/75/71/821197571.db2.gz NJSHLZMQCHWUII-UHFFFAOYSA-N 1 0 395.547 4.214 20 0 GIADRO Cc1oc(-c2cccs2)nc1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000060501655 823535303 /nfs/dbraw/zinc/53/53/03/823535303.db2.gz VCMKHCXYNMHCJD-KRWDZBQOSA-N 1 0 381.501 4.278 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cccc(-c2ccccc2OC)c1 ZINC000177849904 823536136 /nfs/dbraw/zinc/53/61/36/823536136.db2.gz CSMAFEJXHLPESS-UXHICEINSA-N 1 0 379.504 4.453 20 0 GIADRO COc1cc(OC)c(OC)cc1C[N@H+](CCc1scnc1C)C(C)(C)C ZINC000177851843 823536359 /nfs/dbraw/zinc/53/63/59/823536359.db2.gz YLBUGBLNBQJICK-UHFFFAOYSA-N 1 0 378.538 4.321 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]C2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000177855470 823536725 /nfs/dbraw/zinc/53/67/25/823536725.db2.gz TXFXOYANTOVRJT-GOSISDBHSA-N 1 0 388.515 4.136 20 0 GIADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cc(-c2ccccc2)nn1C(C)C ZINC000177855241 823536812 /nfs/dbraw/zinc/53/68/12/823536812.db2.gz KLRQIKCZNWCUHV-MOPGFXCFSA-N 1 0 381.524 4.222 20 0 GIADRO COc1cccc([C@H](CNC(=O)c2cc(C)n(C(C)C)c2C)[NH+]2CCCC2)c1 ZINC000041596627 821213563 /nfs/dbraw/zinc/21/35/63/821213563.db2.gz WQHHLDZJAYQYIH-QFIPXVFZSA-N 1 0 383.536 4.261 20 0 GIADRO CCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2ccc(-c3ccccc3F)s2)CC1 ZINC000177855926 823536991 /nfs/dbraw/zinc/53/69/91/823536991.db2.gz UMVPPFDXWZNWRB-AWEZNQCLSA-N 1 0 396.553 4.019 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=S)Nc1ccc(NC(C)=O)cc1)c1ccsc1 ZINC000041746707 821221890 /nfs/dbraw/zinc/22/18/90/821221890.db2.gz YZNYYIXJNSAFFN-SFHVURJKSA-N 1 0 390.578 4.076 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)C1 ZINC000177858046 823537354 /nfs/dbraw/zinc/53/73/54/823537354.db2.gz NAURYGBXXNNMJO-UTKZUKDTSA-N 1 0 385.939 4.413 20 0 GIADRO Cc1cc([C@@H](C)NC(=O)C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)c(C)s1 ZINC000041761055 821224212 /nfs/dbraw/zinc/22/42/12/821224212.db2.gz LKGRPJRZYHAJPZ-MRXNPFEDSA-N 1 0 399.560 4.167 20 0 GIADRO CC1(C)[C@H](Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)C[C@H]1c1ccccc1 ZINC000123755856 823537819 /nfs/dbraw/zinc/53/78/19/823537819.db2.gz ABRVPCZRLJNBET-XZOQPEGZSA-N 1 0 391.559 4.378 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000041786188 821229608 /nfs/dbraw/zinc/22/96/08/821229608.db2.gz UJVTYCSPGGHGFQ-LJQANCHMSA-N 1 0 393.531 4.063 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)C1(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000411050131 823537853 /nfs/dbraw/zinc/53/78/53/823537853.db2.gz QNQMQOZICHYPDW-UHFFFAOYSA-N 1 0 386.458 4.145 20 0 GIADRO CC(C)[NH+]1CCC(N(C)C(=O)c2nc(-c3ccccc3)n3c2CCCCC3)CC1 ZINC000041808363 821231699 /nfs/dbraw/zinc/23/16/99/821231699.db2.gz LCPSISFMUGDDQW-UHFFFAOYSA-N 1 0 394.563 4.221 20 0 GIADRO CC[C@H](NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1c(C)noc1C ZINC000123761522 823538407 /nfs/dbraw/zinc/53/84/07/823538407.db2.gz YXYHBYPSVGXYJM-OALUTQOASA-N 1 0 376.545 4.040 20 0 GIADRO COc1cc(Br)c(C[NH2+][C@@H](C)COc2cccc(F)c2)cc1OC ZINC000060527666 823538513 /nfs/dbraw/zinc/53/85/13/823538513.db2.gz ZSFVKJMWIBVYTQ-LBPRGKRZSA-N 1 0 398.272 4.163 20 0 GIADRO CCC(CC)[N@@H+](CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)CC(C)C ZINC000177866045 823538501 /nfs/dbraw/zinc/53/85/01/823538501.db2.gz IXQSSWWCJPDJRG-UHFFFAOYSA-N 1 0 387.568 4.010 20 0 GIADRO COCc1ccc(C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000123765993 823538823 /nfs/dbraw/zinc/53/88/23/823538823.db2.gz KGUMSIQVGCKBBP-PXNSSMCTSA-N 1 0 390.886 4.048 20 0 GIADRO Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)NCCC[N@@H+](C)C(C)C ZINC000041927713 821245701 /nfs/dbraw/zinc/24/57/01/821245701.db2.gz GEFLWGQHUQSZSU-UHFFFAOYSA-N 1 0 397.350 4.007 20 0 GIADRO CC[NH+](CC)[C@H](C)CNC(=O)c1c(C)nn(Cc2ccccc2Cl)c1Cl ZINC000041913269 821245817 /nfs/dbraw/zinc/24/58/17/821245817.db2.gz YKJCFPIKNDNTOP-CYBMUJFWSA-N 1 0 397.350 4.007 20 0 GIADRO CC[NH+](CC)[C@H](C)CNC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 ZINC000041916278 821245864 /nfs/dbraw/zinc/24/58/64/821245864.db2.gz KWQJZZRPOXTIGP-CYBMUJFWSA-N 1 0 398.334 4.428 20 0 GIADRO C[N@H+](Cc1ccccc1NC(=O)CCNC(=O)OC(C)(C)C)C1CCCCC1 ZINC000042012216 821253894 /nfs/dbraw/zinc/25/38/94/821253894.db2.gz YLWDDWNJMHLZDR-UHFFFAOYSA-N 1 0 389.540 4.304 20 0 GIADRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CC(=O)NCc3ccccc3)s2)cc1 ZINC000177873973 823539502 /nfs/dbraw/zinc/53/95/02/823539502.db2.gz OWULGRBJORBDOA-HNNXBMFYSA-N 1 0 395.528 4.094 20 0 GIADRO CCCCNC(=O)c1ccc(C[NH2+][C@H](CC)c2ccc3c(c2)OCCO3)cc1 ZINC000177877145 823539921 /nfs/dbraw/zinc/53/99/21/823539921.db2.gz FWOWNNWPUKSLJS-HXUWFJFHSA-N 1 0 382.504 4.229 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H](Cc2ccccc2)c2sccc2C)C1 ZINC000177879992 823540472 /nfs/dbraw/zinc/54/04/72/823540472.db2.gz QWYOZCVJVMNLQT-UXHICEINSA-N 1 0 385.577 4.324 20 0 GIADRO CC(=O)c1cccc(OCC(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000060547835 823540767 /nfs/dbraw/zinc/54/07/67/823540767.db2.gz QUFGZSLQHNVRNS-QGZVFWFLSA-N 1 0 380.488 4.139 20 0 GIADRO COc1cc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccs2)ccn1 ZINC000042208372 821284240 /nfs/dbraw/zinc/28/42/40/821284240.db2.gz YLYIWHBEXMWNQY-UHFFFAOYSA-N 1 0 376.485 4.294 20 0 GIADRO COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H]2c2cccs2)c1 ZINC000042356102 821303896 /nfs/dbraw/zinc/30/38/96/821303896.db2.gz GCFAKMQIMWCIPZ-HDMKZQKVSA-N 1 0 388.533 4.168 20 0 GIADRO Cc1cc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)c(C)n1[C@@H](C)c1ccccc1 ZINC000042386435 821305877 /nfs/dbraw/zinc/30/58/77/821305877.db2.gz ZQQPOFGKPRLXGN-IBGZPJMESA-N 1 0 388.515 4.072 20 0 GIADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)CCc1ncc(-c2c(F)cccc2F)o1 ZINC000042538957 821310405 /nfs/dbraw/zinc/31/04/05/821310405.db2.gz LFMAUBNCMBUVAD-OAHLLOKOSA-N 1 0 393.478 4.179 20 0 GIADRO C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000042633643 821316529 /nfs/dbraw/zinc/31/65/29/821316529.db2.gz XHDWREMYDSBMDA-UZLBHIALSA-N 1 0 384.545 4.385 20 0 GIADRO O[C@@H](COc1cccc2ccccc21)C[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000042634971 821316612 /nfs/dbraw/zinc/31/66/12/821316612.db2.gz HFJKUHYEAZSHCI-RCZVLFRGSA-N 1 0 391.511 4.025 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2cccc(C(F)(F)F)c2)c1 ZINC000042636617 821317647 /nfs/dbraw/zinc/31/76/47/821317647.db2.gz LHXFAAGTTHJARB-OLZOCXBDSA-N 1 0 393.409 4.342 20 0 GIADRO COc1cccc([C@H](CNC(=O)c2sccc2-c2ccccc2)[NH+](C)C)c1 ZINC000042674031 821323578 /nfs/dbraw/zinc/32/35/78/821323578.db2.gz OFJPHEMKWYHHSH-FQEVSTJZSA-N 1 0 380.513 4.456 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)COc1ccccc1Cl ZINC000042698947 821325179 /nfs/dbraw/zinc/32/51/79/821325179.db2.gz OMXLNCCTNUUHJL-UHFFFAOYSA-N 1 0 376.884 4.078 20 0 GIADRO Cc1ccc(Nc2nn(CN3CC[NH+](CC(C)C)CC3)c(=S)s2)cc1C ZINC000042912141 821344052 /nfs/dbraw/zinc/34/40/52/821344052.db2.gz WCBGGMMHDHORGR-UHFFFAOYSA-N 1 0 391.610 4.266 20 0 GIADRO CC(C)(C)n1nc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1C1CC1 ZINC000042766789 821332108 /nfs/dbraw/zinc/33/21/08/821332108.db2.gz VYKNUIWVAXMYIL-GOSISDBHSA-N 1 0 386.565 4.144 20 0 GIADRO CC[NH+](CC)CCCNC(=O)N[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000043003714 821353961 /nfs/dbraw/zinc/35/39/61/821353961.db2.gz KIXYHWGHLVIMRN-SFHVURJKSA-N 1 0 396.535 4.031 20 0 GIADRO COc1ccc([C@H](CNC(=O)N(Cc2ccc(C)o2)C2CC2)[NH+]2CCCC2)cc1 ZINC000043111179 821362637 /nfs/dbraw/zinc/36/26/37/821362637.db2.gz ZPNILGVQLZPNEY-QFIPXVFZSA-N 1 0 397.519 4.108 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)Nc1ccc(Br)cc1 ZINC000043134103 821365682 /nfs/dbraw/zinc/36/56/82/821365682.db2.gz YHQGMRNGJBGWGW-HNNXBMFYSA-N 1 0 378.270 4.001 20 0 GIADRO CCOc1ccc([C@H]2CCCN2C(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1 ZINC000043146181 821367908 /nfs/dbraw/zinc/36/79/08/821367908.db2.gz KLBWRIJFYGSVTO-RTBURBONSA-N 1 0 387.549 4.296 20 0 GIADRO CCOc1ccc(NC(=O)NC[C@H](c2cccc(OC)c2)[NH+]2CCCC2)cc1 ZINC000043145959 821368039 /nfs/dbraw/zinc/36/80/39/821368039.db2.gz BWBZBOCHGVGHSB-OAQYLSRUSA-N 1 0 383.492 4.053 20 0 GIADRO CN(Cc1ccccc1C(F)(F)F)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000043168099 821372906 /nfs/dbraw/zinc/37/29/06/821372906.db2.gz CPUKBDLLTSGNPP-KRWDZBQOSA-N 1 0 395.425 4.277 20 0 GIADRO CC(C)(CNC(=O)Nc1cccc(OCc2cccnc2)c1)[NH+]1CCCCC1 ZINC000043190437 821376643 /nfs/dbraw/zinc/37/66/43/821376643.db2.gz JFMFWWLRTUNGET-UHFFFAOYSA-N 1 0 382.508 4.047 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)N[C@H](C)c1nc2ccccc2[nH]1)c1ccccc1 ZINC000043230914 821377524 /nfs/dbraw/zinc/37/75/24/821377524.db2.gz HNEUNJZOVQRVGN-UZLBHIALSA-N 1 0 379.508 4.006 20 0 GIADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N1CCC[C@H]1c1cccs1 ZINC000043231960 821378427 /nfs/dbraw/zinc/37/84/27/821378427.db2.gz TXPYGWBMCYETQI-JKSUJKDBSA-N 1 0 375.563 4.493 20 0 GIADRO Cc1c(NC(=O)N2CCC(CCC[NH+](C)C)CC2)cnn1-c1cc(C)ccc1C ZINC000180639803 821378523 /nfs/dbraw/zinc/37/85/23/821378523.db2.gz VDSQJBXDJYLOSA-UHFFFAOYSA-N 1 0 397.567 4.383 20 0 GIADRO NC(=O)COc1cccc(C[NH2+][C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2)c1 ZINC000180649806 821382477 /nfs/dbraw/zinc/38/24/77/821382477.db2.gz YYIRSGWMJHRIJF-JOCHJYFZSA-N 1 0 398.865 4.222 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)c2c(C)nn(-c3ccccc3)c2C)c1 ZINC000043270668 821384283 /nfs/dbraw/zinc/38/42/83/821384283.db2.gz ZVOZIUBLOTVYAN-UHFFFAOYSA-N 1 0 390.531 4.261 20 0 GIADRO Cn1ccnc1[C@H](O)[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC000180655962 821384798 /nfs/dbraw/zinc/38/47/98/821384798.db2.gz RQIMCTUJBIYDIE-OXQOHEQNSA-N 1 0 385.895 4.279 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+]Cc2cc(=O)oc3c(C)c(O)ccc23)cc1OCC ZINC000043301803 821388110 /nfs/dbraw/zinc/38/81/10/821388110.db2.gz RCICRYYNBHQVDT-HNNXBMFYSA-N 1 0 397.471 4.455 20 0 GIADRO COc1cccc([C@@H](CNC(=O)N2CCC[C@@H]2c2ccsc2)[NH+]2CCCC2)c1 ZINC000043306999 821389550 /nfs/dbraw/zinc/38/95/50/821389550.db2.gz LPGREUPLTZKAOD-NHCUHLMSSA-N 1 0 399.560 4.440 20 0 GIADRO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)N1CCC[C@H]1c1ccncc1 ZINC000043307148 821389911 /nfs/dbraw/zinc/38/99/11/821389911.db2.gz IXFSLZKGWIUNOI-SFTDATJTSA-N 1 0 398.938 4.419 20 0 GIADRO Clc1ccccc1C1(C[NH2+]C2CCN(Cc3ccncc3)CC2)CCOCC1 ZINC000180677570 821392277 /nfs/dbraw/zinc/39/22/77/821392277.db2.gz CNTKMPBLGSENOY-UHFFFAOYSA-N 1 0 399.966 4.037 20 0 GIADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)Nc1ccccc1OC(F)(F)F ZINC000180680350 821393572 /nfs/dbraw/zinc/39/35/72/821393572.db2.gz DRIUPGRKPYIPMS-UHFFFAOYSA-N 1 0 394.397 4.018 20 0 GIADRO COc1ccc(NC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1Cl ZINC000043332263 821393946 /nfs/dbraw/zinc/39/39/46/821393946.db2.gz PTSLOXIJTSDPQN-HNNXBMFYSA-N 1 0 379.913 4.369 20 0 GIADRO CCOc1ccccc1NC(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000043333121 821394159 /nfs/dbraw/zinc/39/41/59/821394159.db2.gz KZRZBFBQSDRJMZ-IBGZPJMESA-N 1 0 383.492 4.053 20 0 GIADRO C[C@@H]([NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1)c1ccc(-n2ccnc2)cc1 ZINC000180690238 821396506 /nfs/dbraw/zinc/39/65/06/821396506.db2.gz YRKILQSZXVQXJH-KUHUBIRLSA-N 1 0 375.394 4.275 20 0 GIADRO Cc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000180690330 821396997 /nfs/dbraw/zinc/39/69/97/821396997.db2.gz KYTVLQZRAIYMDP-KSSFIOAISA-N 1 0 380.410 4.054 20 0 GIADRO O[C@H](COCc1ccco1)C[NH+]1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC000180692235 821398016 /nfs/dbraw/zinc/39/80/16/821398016.db2.gz CMNSSOJASBGMBZ-SFHVURJKSA-N 1 0 383.410 4.056 20 0 GIADRO COc1cc2c(cc1OC)CN(C(=O)CCC[NH2+][C@@H](C)c1cccc(C)c1)CC2 ZINC000180696762 821399975 /nfs/dbraw/zinc/39/99/75/821399975.db2.gz QBDVOONOBQZRFV-SFHVURJKSA-N 1 0 396.531 4.028 20 0 GIADRO C[C@@H](CCN[C@@H](c1cnn(C)c1)c1cccc(F)c1)[N@H+](C)Cc1ccccc1 ZINC000180697025 821400593 /nfs/dbraw/zinc/40/05/93/821400593.db2.gz ZJDYPWFBAISBCD-FDDCHVKYSA-N 1 0 380.511 4.149 20 0 GIADRO CCc1ccccc1NC(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000043402422 821401620 /nfs/dbraw/zinc/40/16/20/821401620.db2.gz DUBFQYHHZSHNSQ-HDICACEKSA-N 1 0 381.520 4.180 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)C1 ZINC000180702773 821404423 /nfs/dbraw/zinc/40/44/23/821404423.db2.gz BDFIXWHMUVRDBS-RDTXWAMCSA-N 1 0 383.458 4.140 20 0 GIADRO O[C@]1(C[NH2+][C@H](c2ccc(Cl)cc2)c2ccc(OC(F)F)cc2)CCSC1 ZINC000180703815 821405775 /nfs/dbraw/zinc/40/57/75/821405775.db2.gz DLAZRDYCWLXFNW-MJGOQNOKSA-N 1 0 399.890 4.488 20 0 GIADRO COc1cc(OC)cc(N2CC[C@H]([NH2+][C@@H](c3ccccc3)c3ccccn3)C2)c1 ZINC000180704933 821406332 /nfs/dbraw/zinc/40/63/32/821406332.db2.gz SPVXGBJEHWMZQD-CYFREDJKSA-N 1 0 389.499 4.057 20 0 GIADRO CCOc1cccc([C@@H](C)[NH2+]CC(=O)N(CC)c2nc3ccccc3s2)c1 ZINC000180705114 821406364 /nfs/dbraw/zinc/40/63/64/821406364.db2.gz DKHXEJVKDKONJL-OAHLLOKOSA-N 1 0 383.517 4.399 20 0 GIADRO Cc1cc(Br)ccc1NC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000043448952 821407781 /nfs/dbraw/zinc/40/77/81/821407781.db2.gz HKLATQPPBHIAKF-OAHLLOKOSA-N 1 0 382.327 4.243 20 0 GIADRO Cc1cc(Br)ccc1NC(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000043449104 821407941 /nfs/dbraw/zinc/40/79/41/821407941.db2.gz WLVKSPSUNFCEIB-UHFFFAOYSA-N 1 0 390.325 4.353 20 0 GIADRO CC[C@H]1CCCN(C(=O)Nc2cc(Cl)ccc2N2CC[NH+](CC)CC2)C1 ZINC000043454522 821409878 /nfs/dbraw/zinc/40/98/78/821409878.db2.gz JUPCSEKSJQWFQB-INIZCTEOSA-N 1 0 378.948 4.136 20 0 GIADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000180710567 821410007 /nfs/dbraw/zinc/41/00/07/821410007.db2.gz PEESYIRDZIXWJY-RDTXWAMCSA-N 1 0 383.458 4.140 20 0 GIADRO CC[N@@H+]1CC[C@H](CNC(=O)c2nc(-c3ccc(Cl)c(Cl)c3)oc2C)C1 ZINC000180720039 821416319 /nfs/dbraw/zinc/41/63/19/821416319.db2.gz MWBKWSCIFPTQFJ-GFCCVEGCSA-N 1 0 382.291 4.028 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N(C)Cc1cccc(Cl)c1 ZINC000043491210 821416557 /nfs/dbraw/zinc/41/65/57/821416557.db2.gz AFYNEBYQAQCYPJ-UHFFFAOYSA-N 1 0 386.927 4.064 20 0 GIADRO C[C@@H]([NH2+][C@H]1CCN(c2ccccc2Cl)C1=O)c1cnn(Cc2ccccc2)c1 ZINC000180724445 821418889 /nfs/dbraw/zinc/41/88/89/821418889.db2.gz KACLSAMKBMXIFG-UZLBHIALSA-N 1 0 394.906 4.041 20 0 GIADRO COc1ccc(CC(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)cc1 ZINC000043506042 821420153 /nfs/dbraw/zinc/42/01/53/821420153.db2.gz LOSZQYHZHGNSBT-UHFFFAOYSA-N 1 0 388.511 4.283 20 0 GIADRO Cn1cc([C@H]([NH2+][C@H]2CCN(c3cccc(Cl)c3)C2)c2cccc(F)c2)cn1 ZINC000180727306 821420216 /nfs/dbraw/zinc/42/02/16/821420216.db2.gz VEFAYKGEBNCYBV-PZJWPPBQSA-N 1 0 384.886 4.171 20 0 GIADRO CC[C@@H](CNC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C)c1ccccc1 ZINC000043522776 821421989 /nfs/dbraw/zinc/42/19/89/821421989.db2.gz HDFWWURWMZAWSO-FQEVSTJZSA-N 1 0 394.563 4.452 20 0 GIADRO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CC1(N2CCCCC2)CCOCC1 ZINC000180738474 821426414 /nfs/dbraw/zinc/42/64/14/821426414.db2.gz LCXITEOTPCVEMB-MSOLQXFVSA-N 1 0 387.593 4.413 20 0 GIADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)Nc1ccc(Oc2ccccc2OC)cc1 ZINC000043565346 821427684 /nfs/dbraw/zinc/42/76/84/821427684.db2.gz BVXGTUOFTXLXMM-QGZVFWFLSA-N 1 0 385.533 4.258 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NC(=O)N[C@H]2CCSc3ccccc32)CC1 ZINC000043574413 821428553 /nfs/dbraw/zinc/42/85/53/821428553.db2.gz QWHOKWSGWCQWMT-SFHVURJKSA-N 1 0 396.560 4.187 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccccc1 ZINC000043574111 821428600 /nfs/dbraw/zinc/42/86/00/821428600.db2.gz LKRJESFFHUINCQ-OAQYLSRUSA-N 1 0 394.519 4.018 20 0 GIADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)Nc1nc(C(F)(F)F)cs1 ZINC000043635331 821433827 /nfs/dbraw/zinc/43/38/27/821433827.db2.gz SKQBDYNLVNBVAP-SNVBAGLBSA-N 1 0 390.456 4.182 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)c2ccc(NC(=O)[C@H]3C[C@@H]3C)cc2)CC1 ZINC000180755085 821436065 /nfs/dbraw/zinc/43/60/65/821436065.db2.gz WMGWIUSBZLUMRR-AVRDEDQJSA-N 1 0 399.579 4.255 20 0 GIADRO Cc1ccc(C(=O)CCC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000180779848 821452436 /nfs/dbraw/zinc/45/24/36/821452436.db2.gz KXHLQEAFWDWEAD-UHFFFAOYSA-N 1 0 393.531 4.118 20 0 GIADRO CC(C)COc1cccc(NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000180781227 821453983 /nfs/dbraw/zinc/45/39/83/821453983.db2.gz XNOPXAMCJAMWEA-UHFFFAOYSA-N 1 0 382.508 4.155 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)c2ccc3c(c2)NC(=O)CCS3)c1 ZINC000043765451 821454834 /nfs/dbraw/zinc/45/48/34/821454834.db2.gz IIALNHRXSOHTBR-UHFFFAOYSA-N 1 0 383.517 4.215 20 0 GIADRO C[C@H]([NH2+]CCNC(=O)c1c(F)cccc1F)[C@H](C)c1nc2ccccc2s1 ZINC000180787896 821457767 /nfs/dbraw/zinc/45/77/67/821457767.db2.gz CEFNKSLLOXIYIM-STQMWFEESA-N 1 0 389.471 4.086 20 0 GIADRO CC[C@H]([NH2+]CCNC(=O)c1c(F)cccc1F)c1ccc(OC(F)F)cc1 ZINC000180788936 821459274 /nfs/dbraw/zinc/45/92/74/821459274.db2.gz FBPRHIVRMSFPFM-INIZCTEOSA-N 1 0 384.373 4.037 20 0 GIADRO CCc1ccc(CN(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C2CC2)cc1 ZINC000043799897 821460624 /nfs/dbraw/zinc/46/06/24/821460624.db2.gz MOTGWMDFFSRCJH-UHFFFAOYSA-N 1 0 392.547 4.197 20 0 GIADRO Cn1cc([C@@H]([NH2+]CCc2coc(-c3ccc(F)cc3)n2)c2cccc(F)c2)cn1 ZINC000180803591 821467349 /nfs/dbraw/zinc/46/73/49/821467349.db2.gz KYIRZGKFKNFKSH-NRFANRHFSA-N 1 0 394.425 4.275 20 0 GIADRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCCOc1cccc2cccnc21 ZINC000180803742 821467442 /nfs/dbraw/zinc/46/74/42/821467442.db2.gz RUBKXZMZDZSZIL-HNNXBMFYSA-N 1 0 398.894 4.059 20 0 GIADRO Fc1ccccc1-c1n[nH]cc1C[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000180804785 821468146 /nfs/dbraw/zinc/46/81/46/821468146.db2.gz FESWPBVCOLFTOJ-AWEZNQCLSA-N 1 0 393.388 4.268 20 0 GIADRO C[C@H]([NH2+]CCS(=O)(=O)C(C)(C)C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000180806210 821468651 /nfs/dbraw/zinc/46/86/51/821468651.db2.gz JJGGVRKMXHRTKE-INIZCTEOSA-N 1 0 393.524 4.269 20 0 GIADRO COc1ccc([C@@H](C[NH2+][C@H](c2ccccc2)c2ccccn2)N(C)C)cc1OC ZINC000180810250 821471611 /nfs/dbraw/zinc/47/16/11/821471611.db2.gz MXAQSWPFCKHRJY-ZJSXRUAMSA-N 1 0 391.515 4.081 20 0 GIADRO CC[C@H](C)Oc1ccc(NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000180815926 821476523 /nfs/dbraw/zinc/47/65/23/821476523.db2.gz WCTXXVPDLSCZMU-KRWDZBQOSA-N 1 0 382.508 4.297 20 0 GIADRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)c1sc(-c2ccc(Cl)cc2)nc1C ZINC000180827534 821483764 /nfs/dbraw/zinc/48/37/64/821483764.db2.gz HWXOBWRUHZXOEH-NEPJUHHUSA-N 1 0 386.970 4.246 20 0 GIADRO Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000180829756 821484777 /nfs/dbraw/zinc/48/47/77/821484777.db2.gz ZRJDANQVOPBXOJ-LBPRGKRZSA-N 1 0 396.716 4.485 20 0 GIADRO Cc1noc(CC[NH2+][C@H](c2ccccc2)c2ccc(Br)cc2F)n1 ZINC000180843218 821490798 /nfs/dbraw/zinc/49/07/98/821490798.db2.gz XNXVGEOTVXTQOE-GOSISDBHSA-N 1 0 390.256 4.201 20 0 GIADRO Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000043964044 821496344 /nfs/dbraw/zinc/49/63/44/821496344.db2.gz CGELDNKVZGQZLC-UHFFFAOYSA-N 1 0 399.538 4.496 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180855362 821496690 /nfs/dbraw/zinc/49/66/90/821496690.db2.gz JAZWUYGBSZNYDC-LPHOPBHVSA-N 1 0 395.551 4.264 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180855344 821496817 /nfs/dbraw/zinc/49/68/17/821496817.db2.gz JAZWUYGBSZNYDC-VQIMIIECSA-N 1 0 395.551 4.264 20 0 GIADRO COc1cc(OC)c([C@H](C)[NH2+]CCc2nc3c(cccc3F)n2C)cc1Cl ZINC000180860540 821498788 /nfs/dbraw/zinc/49/87/88/821498788.db2.gz GCMNNNSFGFSORA-LBPRGKRZSA-N 1 0 391.874 4.276 20 0 GIADRO COc1cc(-c2noc(CCCCC[NH2+][C@@H](C)c3ccc(C)o3)n2)ccc1O ZINC000180864839 821501486 /nfs/dbraw/zinc/50/14/86/821501486.db2.gz FFLKJDKGANSZKX-HNNXBMFYSA-N 1 0 385.464 4.416 20 0 GIADRO COc1cc(OC)c(NC(=O)C[NH2+]C(C)(C)c2ccc(F)c(F)c2)cc1Cl ZINC000180868852 821504297 /nfs/dbraw/zinc/50/42/97/821504297.db2.gz GEOWCULETLMSBE-UHFFFAOYSA-N 1 0 398.837 4.099 20 0 GIADRO COCCOc1c(Cl)cc(NC(=O)c2ccc(C[NH+](C)C)cc2)cc1Cl ZINC000180877921 821508700 /nfs/dbraw/zinc/50/87/00/821508700.db2.gz VLCMQZKXEDKYIC-UHFFFAOYSA-N 1 0 397.302 4.333 20 0 GIADRO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCCC(=O)N1Cc2ccccc2C1)CC3 ZINC000180881033 821510537 /nfs/dbraw/zinc/51/05/37/821510537.db2.gz UWXPBIDMNWIPRK-HXUWFJFHSA-N 1 0 387.527 4.246 20 0 GIADRO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CCCC(=O)N1Cc2ccccc2C1)CC3 ZINC000180881012 821510784 /nfs/dbraw/zinc/51/07/84/821510784.db2.gz UWXPBIDMNWIPRK-FQEVSTJZSA-N 1 0 387.527 4.246 20 0 GIADRO CC(C)C(=O)Nc1cccc(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000044084465 821519990 /nfs/dbraw/zinc/51/99/90/821519990.db2.gz QRQLTEAISBNRBN-LJQANCHMSA-N 1 0 398.507 4.223 20 0 GIADRO C[C@H]1CCC[N@H+](CCCCNC(=S)Nc2cccc(Br)c2)C1 ZINC000044098878 821522720 /nfs/dbraw/zinc/52/27/20/821522720.db2.gz LDPZHERFALBNHR-AWEZNQCLSA-N 1 0 384.387 4.248 20 0 GIADRO C[C@@H]([NH2+]CCc1nc(-c2cccc(Cl)c2)no1)c1ccc(-n2ccnc2)cc1 ZINC000180902055 821526053 /nfs/dbraw/zinc/52/60/53/821526053.db2.gz BMVWUBDOFBJZKA-OAHLLOKOSA-N 1 0 393.878 4.469 20 0 GIADRO C[C@@H]([NH2+]CCc1nc(-c2cccc(Cl)c2)no1)c1ccc([S@](C)=O)cc1 ZINC000180903025 821526502 /nfs/dbraw/zinc/52/65/02/821526502.db2.gz SGJMSWOCFLQJMA-SRGMZFCMSA-N 1 0 389.908 4.021 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1cc(C(C)(C)C)no1)c1ccc(-c2ccncc2)cc1 ZINC000180908981 821530215 /nfs/dbraw/zinc/53/02/15/821530215.db2.gz LCHZOHWHRCJSFH-HNNXBMFYSA-N 1 0 378.476 4.323 20 0 GIADRO CCOc1ccccc1NC(=O)C[NH2+][C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000180911369 821532335 /nfs/dbraw/zinc/53/23/35/821532335.db2.gz IIOPDUMDWLGYBD-QGZVFWFLSA-N 1 0 375.472 4.437 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)COCc1ccccc1F)c1ccc(-c2ccncc2)cc1 ZINC000180916785 821535962 /nfs/dbraw/zinc/53/59/62/821535962.db2.gz QCZGVCYEPDDXKD-JTSKRJEESA-N 1 0 380.463 4.116 20 0 GIADRO COc1ccc(CN2CC[C@@H]([NH2+][C@@H](C)c3ccc(SC)c(F)c3)C2=O)cc1 ZINC000180917420 821536784 /nfs/dbraw/zinc/53/67/84/821536784.db2.gz YEAPYDIPRBJOGJ-IFXJQAMLSA-N 1 0 388.508 4.008 20 0 GIADRO Cc1c(Cl)cccc1NC(=S)N(CCc1ccccc1)CC[NH+](C)C ZINC000044158170 821538336 /nfs/dbraw/zinc/53/83/36/821538336.db2.gz VJAASNUZERQQJT-UHFFFAOYSA-N 1 0 375.969 4.452 20 0 GIADRO O=C(Nc1cccc(OCc2ccc(F)cc2)c1)NC1CC[NH+](C2CC2)CC1 ZINC000044174052 821540009 /nfs/dbraw/zinc/54/00/09/821540009.db2.gz IVPCZJQWFKGGPT-UHFFFAOYSA-N 1 0 383.467 4.153 20 0 GIADRO CC(C)(C)n1cc(NC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cn1 ZINC000180924737 821540835 /nfs/dbraw/zinc/54/08/35/821540835.db2.gz OBXNBLWXYHVPLK-UHFFFAOYSA-N 1 0 389.931 4.078 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cnn(C(C)(C)C)c1 ZINC000180927583 821542944 /nfs/dbraw/zinc/54/29/44/821542944.db2.gz SIVZJNUXXVGDHP-IBGZPJMESA-N 1 0 383.540 4.014 20 0 GIADRO Cc1cc(C)c(NC(=S)NC2CC[NH+](Cc3ccccn3)CC2)c(Cl)c1 ZINC000044221974 821549617 /nfs/dbraw/zinc/54/96/17/821549617.db2.gz LLRQQEZHNDYZID-UHFFFAOYSA-N 1 0 388.968 4.303 20 0 GIADRO FC(F)(F)c1cccc(NC(=S)NC2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000044222186 821549689 /nfs/dbraw/zinc/54/96/89/821549689.db2.gz DLNNKYYAOJVZIY-UHFFFAOYSA-N 1 0 394.466 4.051 20 0 GIADRO C[C@H]([NH2+][C@@H](Cc1ccccc1)c1cccs1)c1ccc(-n2cnnn2)cc1 ZINC000180943944 821550058 /nfs/dbraw/zinc/55/00/58/821550058.db2.gz IDBRFMVQMJXMIZ-JXFKEZNVSA-N 1 0 375.501 4.358 20 0 GIADRO Clc1ccccc1[C@@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1ccc2c(c1)OCCO2 ZINC000180949303 821552348 /nfs/dbraw/zinc/55/23/48/821552348.db2.gz YSCNBDWEWMOVPF-AOMKIAJQSA-N 1 0 395.890 4.071 20 0 GIADRO COc1cc([C@H](C)NC(=O)Nc2cccc(C[NH+](C)C)c2)ccc1OC(C)C ZINC000044276999 821558364 /nfs/dbraw/zinc/55/83/64/821558364.db2.gz AKIOSWNYAQJYSO-INIZCTEOSA-N 1 0 385.508 4.427 20 0 GIADRO CCc1nc2ccccc2n1C1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2)CC1 ZINC000180961568 821558551 /nfs/dbraw/zinc/55/85/51/821558551.db2.gz DYOHFTYKHVHTNW-KRWDZBQOSA-N 1 0 376.504 4.263 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)c1 ZINC000044276786 821558643 /nfs/dbraw/zinc/55/86/43/821558643.db2.gz UEABRTHBRRBMOD-UHFFFAOYSA-N 1 0 377.492 4.036 20 0 GIADRO CC[C@H]([NH2+]C1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccc(C)cc1 ZINC000180967441 821561486 /nfs/dbraw/zinc/56/14/86/821561486.db2.gz OIGPEMBJQVFQNR-QFIPXVFZSA-N 1 0 386.561 4.030 20 0 GIADRO CC[C@@H]([NH2+]C1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1)C1CCCCC1 ZINC000180970450 821563821 /nfs/dbraw/zinc/56/38/21/821563821.db2.gz QRGHKAWNDLZKQQ-HXUWFJFHSA-N 1 0 388.552 4.257 20 0 GIADRO COc1cc(Br)ccc1C[NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000180973822 821566160 /nfs/dbraw/zinc/56/61/60/821566160.db2.gz MQVCPYCVRKYRHR-AMXDTQDGSA-N 1 0 382.323 4.046 20 0 GIADRO CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000180981601 821572507 /nfs/dbraw/zinc/57/25/07/821572507.db2.gz HJIUQLPEXSCZGD-TYILLQQXSA-N 1 0 396.940 4.138 20 0 GIADRO C[C@@H]([NH2+]CCc1nc(-c2ccccn2)cs1)c1ccc(N2CCOC2=O)cc1 ZINC000181007972 821589861 /nfs/dbraw/zinc/58/98/61/821589861.db2.gz KXYORRXRUPXHMU-OAHLLOKOSA-N 1 0 394.500 4.055 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(Cn2cccn2)c1)c1cc(Br)ccc1O ZINC000181012959 821593544 /nfs/dbraw/zinc/59/35/44/821593544.db2.gz CVPGNUMQNBMHID-AWEZNQCLSA-N 1 0 386.293 4.250 20 0 GIADRO CC(=O)Nc1ccc(CC[NH2+][C@H](C)c2cc(Br)ccc2O)cc1 ZINC000181016136 821595195 /nfs/dbraw/zinc/59/51/95/821595195.db2.gz BWCOQTYZEAGVSC-GFCCVEGCSA-N 1 0 377.282 4.006 20 0 GIADRO CC[C@H](C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccc(OC)cc1 ZINC000181019923 821596668 /nfs/dbraw/zinc/59/66/68/821596668.db2.gz QKEWIELFPFILDN-CUWPLCDZSA-N 1 0 386.561 4.450 20 0 GIADRO O[C@H](C[NH2+][C@@H](c1cccc(Cl)c1)C1CCCCC1)COC1CCOCC1 ZINC000181024948 821599523 /nfs/dbraw/zinc/59/95/23/821599523.db2.gz IGVMSSOJZGVXTC-TZIWHRDSSA-N 1 0 381.944 4.108 20 0 GIADRO Cc1c(C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)cnn1C(C)(C)C ZINC000044536240 821601109 /nfs/dbraw/zinc/60/11/09/821601109.db2.gz ZIDCXRGZPIMJCN-UHFFFAOYSA-N 1 0 382.552 4.108 20 0 GIADRO COc1ccc(C[C@@H](C)C[NH2+][C@@H](c2cnn(C)c2)c2cccc(F)c2)cc1OC ZINC000181033941 821604269 /nfs/dbraw/zinc/60/42/69/821604269.db2.gz BAOFCHGMCRUQBS-WAIKUNEKSA-N 1 0 397.494 4.134 20 0 GIADRO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H](Cc2ccccc2)C2CC2)c(OC)c1 ZINC000181048851 821610319 /nfs/dbraw/zinc/61/03/19/821610319.db2.gz FPMVVFNWWSZFDF-HRAATJIYSA-N 1 0 382.504 4.032 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)Nc2cc(OC)ccc2OC(F)F)cc1 ZINC000044587307 821616079 /nfs/dbraw/zinc/61/60/79/821616079.db2.gz XBLIAOAUSWPZNT-UHFFFAOYSA-N 1 0 378.419 4.391 20 0 GIADRO CCOC(=O)Nc1ccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000044605036 821620254 /nfs/dbraw/zinc/62/02/54/821620254.db2.gz FNKPSOZUCOOAFG-UHFFFAOYSA-N 1 0 381.476 4.493 20 0 GIADRO CC[C@@H]([NH2+]CCCNC(=O)c1occc1C)c1cccc(Br)c1 ZINC000181076056 821620313 /nfs/dbraw/zinc/62/03/13/821620313.db2.gz VTVLLQNUHPYXSX-MRXNPFEDSA-N 1 0 379.298 4.211 20 0 GIADRO O=C(N[C@@H]1CCCOc2c(Cl)cccc21)N1CCC(C[NH+]2CCCC2)CC1 ZINC000181077634 821621146 /nfs/dbraw/zinc/62/11/46/821621146.db2.gz LGOKAOALYOPYEP-LJQANCHMSA-N 1 0 391.943 4.071 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)N[C@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000181080507 821622417 /nfs/dbraw/zinc/62/24/17/821622417.db2.gz QFDKBCDLKVXGRT-SFHVURJKSA-N 1 0 379.932 4.070 20 0 GIADRO CC[NH+]1CCN(Cc2ccc(N[C@H](c3ccccc3)c3ccccn3)cc2)CC1 ZINC000181080028 821622642 /nfs/dbraw/zinc/62/26/42/821622642.db2.gz PDTGCOZTOXEJGV-RUZDIDTESA-N 1 0 386.543 4.421 20 0 GIADRO CC(C)n1ncc2cc(C[NH2+]C[C@@H]3COC4(CCCCCC4)O3)c(Cl)nc21 ZINC000181100789 821632951 /nfs/dbraw/zinc/63/29/51/821632951.db2.gz WPUCXWZSYXFHEG-QGZVFWFLSA-N 1 0 392.931 4.221 20 0 GIADRO C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@@H](O)c1c(Cl)cccc1Cl ZINC000181105825 821635338 /nfs/dbraw/zinc/63/53/38/821635338.db2.gz XOJRCEBOQVOOMN-CXAGYDPISA-N 1 0 381.303 4.058 20 0 GIADRO C[C@@H](CNC(=O)Nc1ccc2[nH]c(C(F)F)nc2c1)[N@H+](C)Cc1ccccc1 ZINC000181106315 821635879 /nfs/dbraw/zinc/63/58/79/821635879.db2.gz NHAHDGYKMOZMMR-ZDUSSCGKSA-N 1 0 387.434 4.143 20 0 GIADRO O=C(Nc1ccc2[nH]c(C(F)F)nc2c1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000181114248 821640700 /nfs/dbraw/zinc/64/07/00/821640700.db2.gz JYLQLJUIFITSAN-SFHVURJKSA-N 1 0 399.445 4.459 20 0 GIADRO C[C@H]([NH2+]C1CCC(S(C)(=O)=O)CC1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000181118259 821643497 /nfs/dbraw/zinc/64/34/97/821643497.db2.gz PVUSVPBFJYCVEC-XOEAPDPESA-N 1 0 394.364 4.095 20 0 GIADRO COc1cc2c(c(C[NH+]3CCC(n4ccc(C(F)(F)F)n4)CC3)c1)O[C@@H](C)C2 ZINC000181125610 821649105 /nfs/dbraw/zinc/64/91/05/821649105.db2.gz IFYHZHIXCYMWMQ-ZDUSSCGKSA-N 1 0 395.425 4.071 20 0 GIADRO CC(C)n1cc([C@@H](C)[NH2+]CCOc2ncc(C(F)(F)F)cc2Cl)cn1 ZINC000181128695 821650290 /nfs/dbraw/zinc/65/02/90/821650290.db2.gz PCXOELUSBXNCLI-LLVKDONJSA-N 1 0 376.810 4.261 20 0 GIADRO COc1ccc2ccccc2c1-c1cc(CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)on1 ZINC000181134357 821654306 /nfs/dbraw/zinc/65/43/06/821654306.db2.gz FLRPOWSLERYHIN-FUHWJXTLSA-N 1 0 379.504 4.418 20 0 GIADRO COc1ccc2ccccc2c1-c1cc(CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)on1 ZINC000181134387 821654373 /nfs/dbraw/zinc/65/43/73/821654373.db2.gz FLRPOWSLERYHIN-WMZOPIPTSA-N 1 0 379.504 4.418 20 0 GIADRO Cc1ccc2[nH]c([C@H]3CCC[N@H+](Cc4cc(F)cc5c4OCOC5)C3)nc2c1 ZINC000181149578 821664222 /nfs/dbraw/zinc/66/42/22/821664222.db2.gz SESAEBFLYOTVQI-HNNXBMFYSA-N 1 0 381.451 4.257 20 0 GIADRO Cc1c(O)ccc2c(C[NH2+][C@@H](C)c3ccc(OC(F)F)cc3)cc(=O)oc12 ZINC000044802858 821665322 /nfs/dbraw/zinc/66/53/22/821665322.db2.gz HZMBVNKGGKRSIH-LBPRGKRZSA-N 1 0 375.371 4.259 20 0 GIADRO CSC1(C[NH2+][C@H](C)c2ccc(OC[C@H]3CCCCO3)c(F)c2)CCOCC1 ZINC000181158099 821670340 /nfs/dbraw/zinc/67/03/40/821670340.db2.gz ZGSXFCXCJGVCAR-SJLPKXTDSA-N 1 0 397.556 4.336 20 0 GIADRO CSC1(C[NH2+][C@H](C)c2cnn(-c3cccc(Cl)c3)c2C)CCOCC1 ZINC000181158622 821670876 /nfs/dbraw/zinc/67/08/76/821670876.db2.gz NALOHKMWOCHLNF-CQSZACIVSA-N 1 0 379.957 4.397 20 0 GIADRO Fc1ccc([C@@H]([NH2+]C[C@@H]2COC3(CCOCC3)O2)c2ccccc2Cl)cc1 ZINC000181158740 821670941 /nfs/dbraw/zinc/67/09/41/821670941.db2.gz SNZFMTLGJOTNEW-YLJYHZDGSA-N 1 0 391.870 4.080 20 0 GIADRO CSC1(C[NH2+][C@H](C)c2ccc(OC(F)F)cc2OC(F)F)CCOCC1 ZINC000181161077 821672315 /nfs/dbraw/zinc/67/23/15/821672315.db2.gz OUWIPSQRXDOWIC-LLVKDONJSA-N 1 0 397.434 4.452 20 0 GIADRO Cc1ncc([C@H](C)[NH2+][C@@H](Cc2ccccc2)C(=O)N(C)c2ccccc2)s1 ZINC000181163339 821673633 /nfs/dbraw/zinc/67/36/33/821673633.db2.gz IYGXXVDBNAMSAM-JXFKEZNVSA-N 1 0 379.529 4.376 20 0 GIADRO COCCC[C@@H](C)[NH2+][C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C ZINC000181167024 821674998 /nfs/dbraw/zinc/67/49/98/821674998.db2.gz WLGUURPBZFHVSN-GCJKJVERSA-N 1 0 389.561 4.201 20 0 GIADRO COc1cc(NC2CC[NH+]([C@H](C)c3nc4ccccc4o3)CC2)cc(OC)c1 ZINC000181183050 821682984 /nfs/dbraw/zinc/68/29/84/821682984.db2.gz RHEXKWRSNYFNKG-OAHLLOKOSA-N 1 0 381.476 4.483 20 0 GIADRO Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)NC3CC[NH+](C(C)C)CC3)c12 ZINC000044985925 821685549 /nfs/dbraw/zinc/68/55/49/821685549.db2.gz FFNKMDAVDKETDC-UHFFFAOYSA-N 1 0 399.583 4.221 20 0 GIADRO COc1ccc2c(C[NH2+][C@H](C[C@@H]3CCOC3)c3ccccc3)cc(=O)oc2c1 ZINC000181193222 821688236 /nfs/dbraw/zinc/68/82/36/821688236.db2.gz OUPCQFRAFGGYLJ-HRAATJIYSA-N 1 0 379.456 4.059 20 0 GIADRO Cc1cc2ncc([C@@H](C)[NH2+][C@@H](C)c3ccc(NC(=O)C4CC4)cc3)c(C)n2n1 ZINC000181193798 821689000 /nfs/dbraw/zinc/68/90/00/821689000.db2.gz GPTWLNINVPOYCD-LSDHHAIUSA-N 1 0 377.492 4.106 20 0 GIADRO Cc1cc2ncc([C@@H](C)[NH2+][C@H](C)c3ccc(NC(=O)C4CC4)cc3)c(C)n2n1 ZINC000181193837 821689085 /nfs/dbraw/zinc/68/90/85/821689085.db2.gz GPTWLNINVPOYCD-HUUCEWRRSA-N 1 0 377.492 4.106 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1c(Cl)c2ccccc2n1C ZINC000045009398 821689501 /nfs/dbraw/zinc/68/95/01/821689501.db2.gz DZJJQDOEDPRTIB-UHFFFAOYSA-N 1 0 396.922 4.144 20 0 GIADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CCC[C@H](C(F)(F)F)C3)CC2)cc1 ZINC000045014410 821690831 /nfs/dbraw/zinc/69/08/31/821690831.db2.gz QIQPPQMFZDQNTL-OALUTQOASA-N 1 0 382.470 4.398 20 0 GIADRO CCOc1ccc(C[N@H+](CCCn2ccnc2)Cc2ccc(Cl)nc2)cc1 ZINC000181233452 821710375 /nfs/dbraw/zinc/71/03/75/821710375.db2.gz HDMRCHZYOAPSTP-UHFFFAOYSA-N 1 0 384.911 4.423 20 0 GIADRO O=C(C[NH2+][C@@H](c1ccccc1)[C@@H]1CCCc2ccccc21)NCc1cccnc1 ZINC000181240442 821714387 /nfs/dbraw/zinc/71/43/87/821714387.db2.gz ISYFGHQLVJPVMW-NOZRDPDXSA-N 1 0 385.511 4.149 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)Nc2ccc3oc(=O)ccc3c2)CC1 ZINC000181269254 821725372 /nfs/dbraw/zinc/72/53/72/821725372.db2.gz QLXPGRRDNZGYRT-UHFFFAOYSA-N 1 0 385.508 4.159 20 0 GIADRO CCC(CC)[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(NS(=O)(=O)CC)cc2)CCO1 ZINC000181271544 821726781 /nfs/dbraw/zinc/72/67/81/821726781.db2.gz OYGCDQHQXMWMHY-YSSFQJQWSA-N 1 0 382.570 4.083 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1Cl)c1ccc(-c2cccnc2)cc1 ZINC000181272607 821727017 /nfs/dbraw/zinc/72/70/17/821727017.db2.gz BHCGISFWUSLMFX-JXFKEZNVSA-N 1 0 382.891 4.493 20 0 GIADRO C[C@@H]([NH2+]CC(=O)NCC1(c2ccccc2)CC1)c1ccc(-c2cccnc2)cc1 ZINC000181274273 821727660 /nfs/dbraw/zinc/72/76/60/821727660.db2.gz MZHKTKMONPHPSW-LJQANCHMSA-N 1 0 385.511 4.247 20 0 GIADRO Cc1ccc(CN(C(=O)C[NH2+][C@@H](C)c2ccc(-c3cccnc3)cc2)C2CC2)o1 ZINC000181275464 821728368 /nfs/dbraw/zinc/72/83/68/821728368.db2.gz CBKRCGHOYCBIJC-SFHVURJKSA-N 1 0 389.499 4.492 20 0 GIADRO C[C@@H]([NH2+]CC(=O)NCc1ccc(Cl)cc1)c1ccc(-c2cccnc2)cc1 ZINC000181276334 821729383 /nfs/dbraw/zinc/72/93/83/821729383.db2.gz MKPIFMSGKFTJLX-MRXNPFEDSA-N 1 0 379.891 4.369 20 0 GIADRO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccccc1OC(F)(F)F ZINC000181280969 821732442 /nfs/dbraw/zinc/73/24/42/821732442.db2.gz MKIOVAASHGEBPA-APWZRJJASA-N 1 0 393.453 4.023 20 0 GIADRO CC[C@H](C)c1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)cc1 ZINC000181282950 821733634 /nfs/dbraw/zinc/73/36/34/821733634.db2.gz OLOBHTZOFUFWLH-IRXDYDNUSA-N 1 0 395.503 4.446 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1)C(=O)NCc1ccccc1F ZINC000181290682 821737571 /nfs/dbraw/zinc/73/75/71/821737571.db2.gz NUMIUAQUVXYDGH-IRXDYDNUSA-N 1 0 377.463 4.243 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1F)c1ccc(-c2cccnc2)cc1 ZINC000181290705 821737877 /nfs/dbraw/zinc/73/78/77/821737877.db2.gz NUMIUAQUVXYDGH-SJORKVTESA-N 1 0 377.463 4.243 20 0 GIADRO CC(=O)c1cccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccc(-c3cccnc3)cc2)c1 ZINC000181293925 821739848 /nfs/dbraw/zinc/73/98/48/821739848.db2.gz IRPABESUNAKKPA-HXOBKFHXSA-N 1 0 390.483 4.042 20 0 GIADRO COc1cccc(CNC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(-c3cccnc3)cc2)c1 ZINC000181295484 821740561 /nfs/dbraw/zinc/74/05/61/821740561.db2.gz UJIIHRRMUZCXHO-ZWKOTPCHSA-N 1 0 389.499 4.113 20 0 GIADRO CC(C)c1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000181298172 821741934 /nfs/dbraw/zinc/74/19/34/821741934.db2.gz RSLJNRLVICKOLC-DLBZAZTESA-N 1 0 395.503 4.444 20 0 GIADRO CC(C)Cc1nnc(NC(=O)C[NH2+][C@@H](C)c2ccc(-c3cccnc3)cc2)s1 ZINC000181299394 821742780 /nfs/dbraw/zinc/74/27/80/821742780.db2.gz YLZAKLVRHITHFY-HNNXBMFYSA-N 1 0 395.532 4.088 20 0 GIADRO COc1ccccc1[C@@H](C)NC(=O)C[NH2+][C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000181312433 821751385 /nfs/dbraw/zinc/75/13/85/821751385.db2.gz VDJJGIKDLBCZKF-QZTJIDSGSA-N 1 0 389.499 4.285 20 0 GIADRO CC(C)c1cccc(NC(=O)C[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)c1 ZINC000181315278 821753385 /nfs/dbraw/zinc/75/33/85/821753385.db2.gz WZDNTCNINNNQTB-INIZCTEOSA-N 1 0 381.476 4.056 20 0 GIADRO CC[C@H](C)c1ccc(NC(=O)C[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)cc1 ZINC000181316538 821754946 /nfs/dbraw/zinc/75/49/46/821754946.db2.gz CLPHJNISLCFXGI-IRXDYDNUSA-N 1 0 395.503 4.446 20 0 GIADRO C[C@H]([NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1)C(=O)Nc1cccnc1Cl ZINC000181317758 821755358 /nfs/dbraw/zinc/75/53/58/821755358.db2.gz PPAOZFMREDRITG-GJZGRUSLSA-N 1 0 380.879 4.475 20 0 GIADRO Cc1cc2oc(=O)cc(C[NH2+][C@H](C)c3cccc(N4CCOC4=O)c3)c2cc1C ZINC000181318290 821756127 /nfs/dbraw/zinc/75/61/27/821756127.db2.gz XYBKXMKWNPSXPI-MRXNPFEDSA-N 1 0 392.455 4.217 20 0 GIADRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+][C@@H]2CCCOc3c(F)cccc32)cc1 ZINC000181321941 821758176 /nfs/dbraw/zinc/75/81/76/821758176.db2.gz YIIGREIBVSDABF-AUUYWEPGSA-N 1 0 392.496 4.152 20 0 GIADRO COc1cccc2[nH]cc(CC[NH2+][C@@H](Cc3ccccc3[N+](=O)[O-])C3CC3)c21 ZINC000181333276 821765183 /nfs/dbraw/zinc/76/51/83/821765183.db2.gz DGHRZYGCEGSNQH-IBGZPJMESA-N 1 0 379.460 4.238 20 0 GIADRO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)cc1C ZINC000181338882 821769623 /nfs/dbraw/zinc/76/96/23/821769623.db2.gz NEWWRNJHDLGWRK-QZTJIDSGSA-N 1 0 379.504 4.108 20 0 GIADRO COc1ccc([C@@H](C)[NH2+]CCOc2ncc(Cl)cc2Cl)cc1NC(C)=O ZINC000181341020 821772403 /nfs/dbraw/zinc/77/24/03/821772403.db2.gz WELCUDOGLJDOIB-LLVKDONJSA-N 1 0 398.290 4.085 20 0 GIADRO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)c(C)c1 ZINC000181354591 821782459 /nfs/dbraw/zinc/78/24/59/821782459.db2.gz YIUKCMYJQGMBHF-ZWKOTPCHSA-N 1 0 379.504 4.108 20 0 GIADRO COC(=O)Nc1ccc(CNC(=O)C[NH2+][C@@H](CC2CCC2)c2ccccc2)cc1 ZINC000181356822 821784094 /nfs/dbraw/zinc/78/40/94/821784094.db2.gz ANMSVPSELMCWBZ-NRFANRHFSA-N 1 0 395.503 4.002 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CCNc2cccc(Br)c2)c1 ZINC000181358322 821785251 /nfs/dbraw/zinc/78/52/51/821785251.db2.gz GANRCBQTJKPWBL-CYBMUJFWSA-N 1 0 376.298 4.170 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1)c1ccccc1 ZINC000181364220 821788852 /nfs/dbraw/zinc/78/88/52/821788852.db2.gz SRLGMBZRQOIJRY-OAHLLOKOSA-N 1 0 379.485 4.290 20 0 GIADRO Cc1ccc(C[C@H](C)C(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000181379669 821795949 /nfs/dbraw/zinc/79/59/49/821795949.db2.gz XGJIUUWKJVFWLB-FQEVSTJZSA-N 1 0 379.548 4.334 20 0 GIADRO CSc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000181382167 821797480 /nfs/dbraw/zinc/79/74/80/821797480.db2.gz FMOJKVCAYDJECP-HZPDHXFCSA-N 1 0 397.544 4.213 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+]Cc2ccc(NC(=O)NC(C)C)cc2)s1 ZINC000181385785 821799444 /nfs/dbraw/zinc/79/94/44/821799444.db2.gz CUEPKIOLZCUWDH-CQSZACIVSA-N 1 0 390.553 4.021 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)OC)cc2F)cc1OCC ZINC000181387420 821799907 /nfs/dbraw/zinc/79/99/07/821799907.db2.gz VIEQGQDHHQRNNN-AWEZNQCLSA-N 1 0 375.440 4.261 20 0 GIADRO O[C@@H](C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1)c1cccc(Br)c1 ZINC000181389300 821800820 /nfs/dbraw/zinc/80/08/20/821800820.db2.gz LONDHODJDCXYDW-YSSFQJQWSA-N 1 0 390.321 4.240 20 0 GIADRO Cc1ccc2c(C[NH2+][C@H](C)c3ccc(N4CCCC4=O)cc3)cc(=O)oc2c1C ZINC000181390250 821801476 /nfs/dbraw/zinc/80/14/76/821801476.db2.gz MPKCZUCIQVQDHS-QGZVFWFLSA-N 1 0 390.483 4.387 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+]Cc2cncc(Br)c2)cc1OCC ZINC000181390742 821801504 /nfs/dbraw/zinc/80/15/04/821801504.db2.gz KARNDLSBLWILPR-ZDUSSCGKSA-N 1 0 379.298 4.492 20 0 GIADRO CC(C)c1ccccc1OC[C@@H](O)C[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181392689 821803425 /nfs/dbraw/zinc/80/34/25/821803425.db2.gz LVKUYMYLPDXEIX-NQIIRXRSSA-N 1 0 396.531 4.027 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)s1 ZINC000181393686 821803748 /nfs/dbraw/zinc/80/37/48/821803748.db2.gz UNIVQFJMOKCLIJ-ZIAGYGMSSA-N 1 0 389.521 4.009 20 0 GIADRO COc1cccc2cc([C@@H](C)[NH2+]C[C@@H](c3cccs3)N3CCOCC3)oc21 ZINC000181398123 821806287 /nfs/dbraw/zinc/80/62/87/821806287.db2.gz HDNLZRMATFKRMI-WBVHZDCISA-N 1 0 386.517 4.227 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)s1 ZINC000181398868 821806296 /nfs/dbraw/zinc/80/62/96/821806296.db2.gz NLOJZYFOUCCBLY-XOBRGWDASA-N 1 0 388.533 4.214 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+]C[C@@H]2CCCN(Cc3cccs3)C2)s1 ZINC000181405336 821809046 /nfs/dbraw/zinc/80/90/46/821809046.db2.gz WZHAQZKWQXTDBU-RDJZCZTQSA-N 1 0 393.622 4.265 20 0 GIADRO CC(C)c1ccccc1NC(=O)C[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181406729 821809329 /nfs/dbraw/zinc/80/93/29/821809329.db2.gz HUZRJGQBADQVKF-QGZVFWFLSA-N 1 0 379.504 4.226 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+]CC(C)(C)c2ccc(OC)c(OC)c2)s1 ZINC000181414874 821813886 /nfs/dbraw/zinc/81/38/86/821813886.db2.gz FRDXCCUPZHURDC-AWEZNQCLSA-N 1 0 392.565 4.286 20 0 GIADRO Cc1ccc(C)c(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)c1 ZINC000181416908 821814511 /nfs/dbraw/zinc/81/45/11/821814511.db2.gz NQTMJWFSBPVVNN-QZTJIDSGSA-N 1 0 379.504 4.108 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+][C@@H](CCSC)c2nnc3ccccn32)C12CCCCC2 ZINC000181423113 821818848 /nfs/dbraw/zinc/81/88/48/821818848.db2.gz YFAKSEUGAMCKTQ-OKZBNKHCSA-N 1 0 388.581 4.241 20 0 GIADRO Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2ccc(OC(F)F)cc2OC(F)F)[nH]n1 ZINC000181426229 821820828 /nfs/dbraw/zinc/82/08/28/821820828.db2.gz FDSBDXMDDWATIP-MWLCHTKSSA-N 1 0 375.366 4.203 20 0 GIADRO Cc1cccc(-c2nc(CC(=O)N[C@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)cs2)c1 ZINC000181430275 821822740 /nfs/dbraw/zinc/82/27/40/821822740.db2.gz DLCGSJQDFUWBSV-IEBWSBKVSA-N 1 0 397.588 4.430 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+][C@H]2CCN(Cc3ccccc3)[C@H](C)C2)s1 ZINC000181431977 821823615 /nfs/dbraw/zinc/82/36/15/821823615.db2.gz FATOSBCDZMBIHO-UWVAXJGDSA-N 1 0 387.593 4.344 20 0 GIADRO COC(=O)c1cc2cc(C[NH2+][C@@H](C)c3cccc(N4CCCC4=O)c3)ccc2o1 ZINC000181432906 821824610 /nfs/dbraw/zinc/82/46/10/821824610.db2.gz MYJKUEMLESQXFB-HNNXBMFYSA-N 1 0 392.455 4.197 20 0 GIADRO COc1ccccc1[C@H](NC1CC[NH+](Cc2ccncc2)CC1)c1ccco1 ZINC000181433899 821825205 /nfs/dbraw/zinc/82/52/05/821825205.db2.gz GPHXHTWLAHAUNI-QHCPKHFHSA-N 1 0 377.488 4.027 20 0 GIADRO Cc1nn(C)c(C)c1CC[NH2+][C@H](C)c1cc2cc(Br)ccc2o1 ZINC000181440423 821827543 /nfs/dbraw/zinc/82/75/43/821827543.db2.gz JRRBSJBFUJPBHY-GFCCVEGCSA-N 1 0 376.298 4.439 20 0 GIADRO C[C@@H](NC(=O)[C@H](C)[N@H+](C)CCc1ccncc1)c1ccc(Cl)cc1Cl ZINC000181451991 821831903 /nfs/dbraw/zinc/83/19/03/821831903.db2.gz RBTQTTYBIIHDAG-KGLIPLIRSA-N 1 0 380.319 4.129 20 0 GIADRO Cc1oc(-c2cccs2)nc1CC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181451932 821832027 /nfs/dbraw/zinc/83/20/27/821832027.db2.gz ONRISTFWWKZFNI-ZBFHGGJFSA-N 1 0 387.549 4.023 20 0 GIADRO Fc1ccc(Br)c2c1CC[C@@H]2[NH2+][C@H]1CCO[C@]2(CCSC2)C1 ZINC000181451698 821832085 /nfs/dbraw/zinc/83/20/85/821832085.db2.gz HWHBXOMQEMHIDS-XNJJOIOASA-N 1 0 386.330 4.220 20 0 GIADRO CCCCN(CCCO)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000181467845 821839879 /nfs/dbraw/zinc/83/98/79/821839879.db2.gz VCNUSJLGBSLGEY-UHFFFAOYSA-N 1 0 375.557 4.468 20 0 GIADRO C[N@@H+](Cc1coc(-c2ccc(Br)cc2)n1)C[C@@H]1CCCC[C@@H]1O ZINC000181480293 821845076 /nfs/dbraw/zinc/84/50/76/821845076.db2.gz IMJZBANOIAEPRC-YOEHRIQHSA-N 1 0 379.298 4.087 20 0 GIADRO Cc1nc(CCC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)oc1-c1ccccc1 ZINC000181487496 821848552 /nfs/dbraw/zinc/84/85/52/821848552.db2.gz GSLPZUODMBFCKG-FXAWDEMLSA-N 1 0 395.547 4.352 20 0 GIADRO C[C@H](CCCc1ccccc1)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000181488043 821848892 /nfs/dbraw/zinc/84/88/92/821848892.db2.gz XWDLJOOGDINVJG-UXHICEINSA-N 1 0 379.548 4.382 20 0 GIADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H](C)CCCc2ccccc2)CC1 ZINC000181488063 821849180 /nfs/dbraw/zinc/84/91/80/821849180.db2.gz XWDLJOOGDINVJG-VQTJNVASSA-N 1 0 379.548 4.382 20 0 GIADRO CN(C)S(=O)(=O)c1cccc(C[NH2+][C@@H](c2ccccc2F)C2CCCC2)c1 ZINC000181494575 821852188 /nfs/dbraw/zinc/85/21/88/821852188.db2.gz QALPIBDGTJLGCK-OAQYLSRUSA-N 1 0 390.524 4.097 20 0 GIADRO CCCCO[C@H]1C[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3F)CC2)C1(C)C ZINC000181497123 821854576 /nfs/dbraw/zinc/85/45/76/821854576.db2.gz MXIRZDGXTHGBHS-UXHICEINSA-N 1 0 376.516 4.004 20 0 GIADRO C[C@@H](NC(=O)c1csc(-c2cccs2)n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181499631 821855570 /nfs/dbraw/zinc/85/55/70/821855570.db2.gz IYWZQMTYCQKVRK-ZIAGYGMSSA-N 1 0 375.563 4.254 20 0 GIADRO C[C@H](NC(=O)c1csc(-c2cccs2)n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181499610 821855776 /nfs/dbraw/zinc/85/57/76/821855776.db2.gz IYWZQMTYCQKVRK-UONOGXRCSA-N 1 0 375.563 4.254 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@@H]1CCc2ccccc21 ZINC000181501186 821856155 /nfs/dbraw/zinc/85/61/55/821856155.db2.gz CSRNUODXUVHZRT-NRFANRHFSA-N 1 0 392.547 4.060 20 0 GIADRO C[N@@H+]1CCCN(C(=O)Nc2ccccc2SC[C@H]2CC2(Cl)Cl)CC1 ZINC000181505289 821857083 /nfs/dbraw/zinc/85/70/83/821857083.db2.gz YEAIMRSHEMVEDU-CYBMUJFWSA-N 1 0 388.364 4.142 20 0 GIADRO COc1ccc2cccc(CC(=O)N[C@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)c2c1 ZINC000181505927 821857714 /nfs/dbraw/zinc/85/77/14/821857714.db2.gz TYKOXSRQMUIGFQ-YLJYHZDGSA-N 1 0 380.532 4.160 20 0 GIADRO Cc1cccc(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1Br ZINC000181506205 821858312 /nfs/dbraw/zinc/85/83/12/821858312.db2.gz JGUKRSKNSCNVDG-CABCVRRESA-N 1 0 379.342 4.140 20 0 GIADRO Cc1nc(C2CCCC2)sc1C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181513027 821861270 /nfs/dbraw/zinc/86/12/70/821861270.db2.gz IJRZKNAKJNCFSB-WMLDXEAASA-N 1 0 375.582 4.492 20 0 GIADRO C[C@@H]([NH2+]C[C@H](O)COC(c1ccccc1)c1ccccc1)c1cccc(O)c1 ZINC000181512661 821861462 /nfs/dbraw/zinc/86/14/62/821861462.db2.gz PQOAWYSPQOUMGP-JPYJTQIMSA-N 1 0 377.484 4.210 20 0 GIADRO C[C@H](NC(=O)CCc1ccccc1Br)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181519602 821864153 /nfs/dbraw/zinc/86/41/53/821864153.db2.gz CWFXLXYJQROXBT-RDJZCZTQSA-N 1 0 393.369 4.151 20 0 GIADRO C[C@H](NC(=O)CCc1ccccc1Br)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181519560 821864290 /nfs/dbraw/zinc/86/42/90/821864290.db2.gz CWFXLXYJQROXBT-DOTOQJQBSA-N 1 0 393.369 4.151 20 0 GIADRO Clc1cccc([C@H](C[NH2+]Cc2cccc3cnccc32)N2CCOCC2)c1 ZINC000181524481 821865824 /nfs/dbraw/zinc/86/58/24/821865824.db2.gz NPZNKJWXHTZGQE-QFIPXVFZSA-N 1 0 381.907 4.051 20 0 GIADRO COc1ccc(-c2n[nH]cc2C[NH+]2CCC(OCc3ccc(F)cc3)CC2)cc1 ZINC000181532314 821869673 /nfs/dbraw/zinc/86/96/73/821869673.db2.gz IPFJMBYIJCCQRZ-UHFFFAOYSA-N 1 0 395.478 4.406 20 0 GIADRO Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2cnc3cc(C)nn3c2C)n(-c2ccccc2)n1 ZINC000181531536 821869972 /nfs/dbraw/zinc/86/99/72/821869972.db2.gz YMAGEUOMCPLKGF-YJBOKZPZSA-N 1 0 388.519 4.122 20 0 GIADRO C[C@H](CC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)C(=O)c1ccc(Cl)cc1 ZINC000181534811 821871473 /nfs/dbraw/zinc/87/14/73/821871473.db2.gz OUXRXPLILDHTGJ-APWZRJJASA-N 1 0 376.928 4.026 20 0 GIADRO C[C@H]([NH2+]CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1)c1cccc(O)c1 ZINC000181549245 821876819 /nfs/dbraw/zinc/87/68/19/821876819.db2.gz RDEFSLPNYVMRJH-QKKBWIMNSA-N 1 0 384.476 4.149 20 0 GIADRO CCOc1ccc([C@@H](CC)[NH2+]Cc2cn(C)nc2C(F)(F)F)cc1OCC ZINC000181583814 821889719 /nfs/dbraw/zinc/88/97/19/821889719.db2.gz PNYJQYZCDMUKMD-OAHLLOKOSA-N 1 0 385.430 4.477 20 0 GIADRO C[C@@H]([NH2+]C1CCN([C@@H](C)c2ccncc2)CC1)c1cnn(Cc2ccccc2)c1 ZINC000181586124 821891228 /nfs/dbraw/zinc/89/12/28/821891228.db2.gz BOZCJSBBWQSLJK-UXHICEINSA-N 1 0 389.547 4.203 20 0 GIADRO O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000181601033 821897530 /nfs/dbraw/zinc/89/75/30/821897530.db2.gz VBXMVSCWVVYNDQ-QGZVFWFLSA-N 1 0 390.487 4.444 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1cccnc1)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000181629856 821912499 /nfs/dbraw/zinc/91/24/99/821912499.db2.gz SEQWHHACBQPWCD-HZPDHXFCSA-N 1 0 381.476 4.191 20 0 GIADRO C[C@H](NC(=O)c1cc(Cl)ccc1Br)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181640373 821918493 /nfs/dbraw/zinc/91/84/93/821918493.db2.gz LHBZKCZTHWGXFL-STQMWFEESA-N 1 0 399.760 4.485 20 0 GIADRO CC(C)(C)C[C@H]([NH2+]Cc1cccc([C@@]2(C)NC(=O)NC2=O)c1)c1ccc(F)cc1 ZINC000181645866 821920381 /nfs/dbraw/zinc/92/03/81/821920381.db2.gz BCKCJXOOMHAVCD-WMZHIEFXSA-N 1 0 397.494 4.147 20 0 GIADRO CC(C)c1ccc(N2Cc3ccc(NC(=O)N4CCC[N@H+](C)CC4)cc3C2)cc1 ZINC000181648196 821921430 /nfs/dbraw/zinc/92/14/30/821921430.db2.gz VAOKAWCZWHRBCU-UHFFFAOYSA-N 1 0 392.547 4.500 20 0 GIADRO CC(C)OC1CCC([NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)CC1 ZINC000181649468 821922302 /nfs/dbraw/zinc/92/23/02/821922302.db2.gz GPLIWTDHXCSIHN-NXVRBGIVSA-N 1 0 397.357 4.492 20 0 GIADRO CCOc1cccc2cc([C@H](C)[NH2+]CCCNC(=O)c3cccc(O)c3)oc21 ZINC000181651690 821923682 /nfs/dbraw/zinc/92/36/82/821923682.db2.gz KPMOVCQDJKRNMY-HNNXBMFYSA-N 1 0 382.460 4.008 20 0 GIADRO C[C@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181657483 821926754 /nfs/dbraw/zinc/92/67/54/821926754.db2.gz ZNRRXQYNIXRFHT-JKSUJKDBSA-N 1 0 378.944 4.267 20 0 GIADRO CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000181659222 821927501 /nfs/dbraw/zinc/92/75/01/821927501.db2.gz QGWJNSZNZCPSOB-KDOFPFPSSA-N 1 0 379.522 4.205 20 0 GIADRO CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000181660728 821928878 /nfs/dbraw/zinc/92/88/78/821928878.db2.gz BDHJBQUXGGMIJT-GOEBONIOSA-N 1 0 383.460 4.191 20 0 GIADRO CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000181662640 821929750 /nfs/dbraw/zinc/92/97/50/821929750.db2.gz PAUCMOGTQMITAW-YJBOKZPZSA-N 1 0 379.522 4.205 20 0 GIADRO C[C@H](NC(=O)CCCc1ncc(-c2ccccc2)o1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181665917 821932890 /nfs/dbraw/zinc/93/28/90/821932890.db2.gz OZYKUWXEMCQGTB-AZUAARDMSA-N 1 0 395.547 4.434 20 0 GIADRO CCO[C@@H]1C[C@H]([NH2+]C2CCN(C(=O)c3ccc(C)cc3)CC2)C12CCCCC2 ZINC000181668039 821934230 /nfs/dbraw/zinc/93/42/30/821934230.db2.gz FHJPCGMOWMEEER-FCHUYYIVSA-N 1 0 384.564 4.317 20 0 GIADRO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CC(=O)Nc1ccccc1OC(F)F ZINC000181668358 821934283 /nfs/dbraw/zinc/93/42/83/821934283.db2.gz HCEVNWCDTQRGDW-QGZVFWFLSA-N 1 0 380.410 4.223 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1Cl)c1cccs1 ZINC000181680489 821940438 /nfs/dbraw/zinc/94/04/38/821940438.db2.gz WLQLBEFQMJPXIF-ZDUSSCGKSA-N 1 0 376.831 4.453 20 0 GIADRO COC[C@H](NCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 ZINC000181685507 821943923 /nfs/dbraw/zinc/94/39/23/821943923.db2.gz BYIDDOGPDIZLMY-INIZCTEOSA-N 1 0 386.801 4.275 20 0 GIADRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+][C@H]3CCN(c4ccccn4)C3)s2)cc1 ZINC000181703429 821951430 /nfs/dbraw/zinc/95/14/30/821951430.db2.gz ASCXXOMUDYLYMW-YJBOKZPZSA-N 1 0 394.544 4.452 20 0 GIADRO C[C@@H]([NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000181709427 821953644 /nfs/dbraw/zinc/95/36/44/821953644.db2.gz GXNYQTGYDNEULZ-GUXCAODWSA-N 1 0 391.508 4.048 20 0 GIADRO COc1cc(OC)c([C@@H](C)[NH2+][C@@H](C)c2ccc(-n3ccnn3)cc2)cc1Cl ZINC000181744861 821973130 /nfs/dbraw/zinc/97/31/30/821973130.db2.gz GGKSNJRROFCPJE-UONOGXRCSA-N 1 0 386.883 4.350 20 0 GIADRO CC(C)(C)C(=O)N1CCC(C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)CC1 ZINC000181749486 821975523 /nfs/dbraw/zinc/97/55/23/821975523.db2.gz VHBYMIALXAVRQS-SFHVURJKSA-N 1 0 383.536 4.292 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1OC(F)F)c1ccc(-n2ccnn2)cc1 ZINC000181751679 821976511 /nfs/dbraw/zinc/97/65/11/821976511.db2.gz MCQQPVVIZSNTFW-OLZOCXBDSA-N 1 0 376.382 4.420 20 0 GIADRO Cc1cc2cc(C(=O)N3CCC[C@H]4C[N@H+](C)CC[C@H]43)oc2c(Br)c1 ZINC000181757356 821979008 /nfs/dbraw/zinc/97/90/08/821979008.db2.gz YHPADACIYKRQPX-XJKSGUPXSA-N 1 0 391.309 4.060 20 0 GIADRO CC(C)C[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]CC1CCS(=O)(=O)CC1 ZINC000181763121 821981887 /nfs/dbraw/zinc/98/18/87/821981887.db2.gz RKOSSIQMCPHIMA-KRWDZBQOSA-N 1 0 392.392 4.365 20 0 GIADRO CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000181772786 821986625 /nfs/dbraw/zinc/98/66/25/821986625.db2.gz QXCGRHOEJFNKKN-MRXNPFEDSA-N 1 0 396.487 4.149 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1c1ccccc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000181788413 821992489 /nfs/dbraw/zinc/99/24/89/821992489.db2.gz HFBKZDANEGOKCF-KNXBSLHKSA-N 1 0 378.520 4.067 20 0 GIADRO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1cccc(C(F)(F)F)c1 ZINC000181818556 822004804 /nfs/dbraw/zinc/00/48/04/822004804.db2.gz MCTCKQDOQNSXLW-WBVHZDCISA-N 1 0 376.422 4.405 20 0 GIADRO C[C@H]([NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1)c1cccc(C(F)(F)F)c1 ZINC000181818578 822005214 /nfs/dbraw/zinc/00/52/14/822005214.db2.gz MCTCKQDOQNSXLW-DOTOQJQBSA-N 1 0 376.422 4.405 20 0 GIADRO C[C@H]([NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(F)cc1OC(F)F ZINC000181826426 822008189 /nfs/dbraw/zinc/00/81/89/822008189.db2.gz ICOSJVAQAOKFHZ-HOCLYGCPSA-N 1 0 392.421 4.126 20 0 GIADRO C[C@H](C[NH2+][C@@H](C)c1ccc(OCC#N)cc1)Oc1ccccc1Br ZINC000181858109 822018231 /nfs/dbraw/zinc/01/82/31/822018231.db2.gz AXFTUVBCKIAHQA-CABCVRRESA-N 1 0 389.293 4.470 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)COCc1ccccc1Cl)c1cccc(N2CCCC2)c1 ZINC000181884104 822026095 /nfs/dbraw/zinc/02/60/95/822026095.db2.gz SXUFFONLRSPOBU-LAUBAEHRSA-N 1 0 388.939 4.169 20 0 GIADRO CC(=O)c1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(N2CCCC2)c1 ZINC000181892304 822028744 /nfs/dbraw/zinc/02/87/44/822028744.db2.gz RUMXHHHGMVQNLX-SJORKVTESA-N 1 0 379.504 4.167 20 0 GIADRO CC(C)[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1cccc(C(F)(F)F)c1 ZINC000181898999 822030654 /nfs/dbraw/zinc/03/06/54/822030654.db2.gz ZPJBMRRHBZBOBV-KBPBESRZSA-N 1 0 382.348 4.155 20 0 GIADRO CC(=O)c1ccc(NC(=O)C[NH2+][C@@H](C)c2cccc(OC(F)(F)F)c2)cc1 ZINC000181908190 822033825 /nfs/dbraw/zinc/03/38/25/822033825.db2.gz OKPSTHCVVHSTPA-LBPRGKRZSA-N 1 0 380.366 4.077 20 0 GIADRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(OC(F)(F)F)c1 ZINC000181911176 822035129 /nfs/dbraw/zinc/03/51/29/822035129.db2.gz SVRBZXRGWLQXHM-GFCCVEGCSA-N 1 0 397.353 4.173 20 0 GIADRO COc1ccc([C@@H](O)C[NH2+]C2CCC(O)(c3ccc(C(C)C)cc3)CC2)cc1 ZINC000181931057 822038859 /nfs/dbraw/zinc/03/88/59/822038859.db2.gz SOAPWDZZTODOOU-RZMWZJFBSA-N 1 0 383.532 4.272 20 0 GIADRO CC(C)c1ccc(C2(O)CCC([NH2+]Cc3cccnc3-n3cccn3)CC2)cc1 ZINC000181938984 822040551 /nfs/dbraw/zinc/04/05/51/822040551.db2.gz SJRPXIOTFXVKJJ-UHFFFAOYSA-N 1 0 390.531 4.311 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)C[NH2+][C@H](CC2CCCC2)c2ccccc2)c1 ZINC000181944118 822041945 /nfs/dbraw/zinc/04/19/45/822041945.db2.gz DXZXFINHRLZFJS-JOCHJYFZSA-N 1 0 379.504 4.495 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1cc2c(ccc3ccccc23)o1 ZINC000181950807 822043637 /nfs/dbraw/zinc/04/36/37/822043637.db2.gz SLZNPOZZWPCWFZ-BLLLJJGKSA-N 1 0 376.378 4.400 20 0 GIADRO Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@H](c1cccc(C(F)(F)F)c1)C(C)(C)C ZINC000181967085 822048015 /nfs/dbraw/zinc/04/80/15/822048015.db2.gz BKHQMCAIRZSUPX-QGZVFWFLSA-N 1 0 382.430 4.361 20 0 GIADRO Cc1cc(NC(=O)C[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C(C)(C)C)n(C)n1 ZINC000181974804 822049851 /nfs/dbraw/zinc/04/98/51/822049851.db2.gz XKEUCODWIXLUHH-KRWDZBQOSA-N 1 0 382.430 4.063 20 0 GIADRO Cc1cccc(Cl)c1NC(=O)C[NH2+][C@@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000181983556 822052612 /nfs/dbraw/zinc/05/26/12/822052612.db2.gz LWFCMJIGIAWWMU-HXUWFJFHSA-N 1 0 388.895 4.345 20 0 GIADRO COc1cccc([C@@H]2[C@H](NC(=O)N(C)[C@@H](C)c3cccs3)CC[N@@H+]2C2CC2)c1 ZINC000181988131 822054526 /nfs/dbraw/zinc/05/45/26/822054526.db2.gz INYILYXGIZTJIF-NYSBEXSLSA-N 1 0 399.560 4.437 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1c[nH]c2cc(F)ccc12 ZINC000182011952 822062003 /nfs/dbraw/zinc/06/20/03/822062003.db2.gz ZCNNAIXMGJUUIX-GOSISDBHSA-N 1 0 379.479 4.291 20 0 GIADRO Cc1cc(C)c(NC(=O)CCC[NH2+][C@H](C)c2ccc(-n3ccnn3)cc2)c(C)c1 ZINC000182016965 822063584 /nfs/dbraw/zinc/06/35/84/822063584.db2.gz DEFBUSRYLVVPQH-LJQANCHMSA-N 1 0 391.519 4.262 20 0 GIADRO CC(=O)Nc1ccc([C@H](C)[NH2+]CCOc2cccc(Br)c2)cc1 ZINC000182019402 822064749 /nfs/dbraw/zinc/06/47/49/822064749.db2.gz WOUFKVWIPFFEHX-ZDUSSCGKSA-N 1 0 377.282 4.137 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CC(=O)N(C)[C@H](C)c2cc3ccccc3o2)cc1F ZINC000182023465 822065655 /nfs/dbraw/zinc/06/56/55/822065655.db2.gz WTAKKGLLYIZCQB-LSDHHAIUSA-N 1 0 384.451 4.451 20 0 GIADRO C[C@H]([NH2+]Cc1cc(F)cc(Br)c1)c1ccc(-n2ccnn2)cc1 ZINC000182041159 822071080 /nfs/dbraw/zinc/07/10/80/822071080.db2.gz UEAQXJLNJKQVIC-LBPRGKRZSA-N 1 0 375.245 4.020 20 0 GIADRO COc1ccc(CC[NH2+][C@@H](C)c2ccc(NC(C)=O)cc2)cc1OC(F)F ZINC000182044886 822072010 /nfs/dbraw/zinc/07/20/10/822072010.db2.gz UYWVCRMWTLVGHG-ZDUSSCGKSA-N 1 0 378.419 4.148 20 0 GIADRO CC(C)c1cccc(C(C)C)c1NC(=O)C[NH2+][C@H](CC(N)=O)C1CCCCC1 ZINC000182045875 822072165 /nfs/dbraw/zinc/07/21/65/822072165.db2.gz CHZRYUITSQNGHL-HXUWFJFHSA-N 1 0 387.568 4.286 20 0 GIADRO CC(C)c1cccc(C(C)C)c1NC(=O)C[NH2+][C@@H](CC(N)=O)C1CCCCC1 ZINC000182045857 822072414 /nfs/dbraw/zinc/07/24/14/822072414.db2.gz CHZRYUITSQNGHL-FQEVSTJZSA-N 1 0 387.568 4.286 20 0 GIADRO Cc1ccc(-c2n[nH]cc2CNc2ccc(N3CCC([NH+](C)C)CC3)cc2)o1 ZINC000182059572 822077575 /nfs/dbraw/zinc/07/75/75/822077575.db2.gz YQDKOTCZFLQNNP-UHFFFAOYSA-N 1 0 379.508 4.121 20 0 GIADRO CCc1ccc([C@@H](C)CC(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000182060447 822077787 /nfs/dbraw/zinc/07/77/87/822077787.db2.gz JMKBPVSFHYNWBQ-SFHVURJKSA-N 1 0 380.532 4.338 20 0 GIADRO O=C(c1ccccc1)N1CCC(C[NH2+][C@H]2CCCOc3cc(F)ccc32)CC1 ZINC000182089875 822089187 /nfs/dbraw/zinc/08/91/87/822089187.db2.gz KRWBXFMMYYKYOM-NRFANRHFSA-N 1 0 382.479 4.181 20 0 GIADRO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000182092902 822090803 /nfs/dbraw/zinc/09/08/03/822090803.db2.gz GHPJVLKXGQWIFH-JOCHJYFZSA-N 1 0 391.563 4.045 20 0 GIADRO CC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CCCN(c3ccccc3Cl)C2=O)cc1 ZINC000182097886 822092500 /nfs/dbraw/zinc/09/25/00/822092500.db2.gz SJXJARLFCUIINN-LIRRHRJNSA-N 1 0 385.895 4.145 20 0 GIADRO C[NH+](C)CCCOC1CCN(C(=O)N(c2ccccc2)c2ccccc2)CC1 ZINC000182096828 822092721 /nfs/dbraw/zinc/09/27/21/822092721.db2.gz JSUDJXBCPFXTJT-UHFFFAOYSA-N 1 0 381.520 4.377 20 0 GIADRO C[S@@](=O)C[C@H]([NH2+]Cc1ccc(-n2cnc3ccccc32)cc1)c1ccccc1 ZINC000182100513 822094009 /nfs/dbraw/zinc/09/40/09/822094009.db2.gz OEFIXJXWPWBCBZ-RBISFHTESA-N 1 0 389.524 4.235 20 0 GIADRO CC(C)Sc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2sccc2C(N)=O)cc1 ZINC000182105318 822096005 /nfs/dbraw/zinc/09/60/05/822096005.db2.gz QCLYEHGATRDKGZ-STQMWFEESA-N 1 0 391.562 4.025 20 0 GIADRO CCCOc1c(Cl)cc(C[NH2+][C@@H](C[S@@](C)=O)c2ccccc2)cc1OC ZINC000182107178 822096829 /nfs/dbraw/zinc/09/68/29/822096829.db2.gz QJQACVHOMCXVSZ-HFJWLAOPSA-N 1 0 395.952 4.347 20 0 GIADRO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(SC(C)C)cc2)cc1OC ZINC000182109267 822097326 /nfs/dbraw/zinc/09/73/26/822097326.db2.gz IKBXTEWOJGIHAV-HNNXBMFYSA-N 1 0 388.533 4.494 20 0 GIADRO CC[NH+](CC)Cc1cc([C@@H](C)Nc2cnn(Cc3ccncc3)c2)ccc1OC ZINC000182126385 822105440 /nfs/dbraw/zinc/10/54/40/822105440.db2.gz BCJFVZGKPLFQAG-GOSISDBHSA-N 1 0 393.535 4.350 20 0 GIADRO COc1ccc(Br)cc1C[NH2+][C@H](C)c1ccc(NC(C)=O)cc1 ZINC000182130148 822108371 /nfs/dbraw/zinc/10/83/71/822108371.db2.gz YGGUKVDAIGLQEF-GFCCVEGCSA-N 1 0 377.282 4.267 20 0 GIADRO C[C@H](Nc1ccc(OC[C@H]2CCCO2)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000182140249 822113444 /nfs/dbraw/zinc/11/34/44/822113444.db2.gz WRIXSVOCIIJXKN-FDDCHVKYSA-N 1 0 384.520 4.358 20 0 GIADRO C[C@H](Nc1ccc(OC[C@@H]2CCCO2)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000182140205 822113500 /nfs/dbraw/zinc/11/35/00/822113500.db2.gz WRIXSVOCIIJXKN-MBSDFSHPSA-N 1 0 384.520 4.358 20 0 GIADRO CC(C)(C)OC(=O)c1ccccc1NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000182175577 822132887 /nfs/dbraw/zinc/13/28/87/822132887.db2.gz PDXCZJVEAJOWEZ-OXQOHEQNSA-N 1 0 399.535 4.123 20 0 GIADRO CC[C@@](C)([NH2+]C[C@H](O)COc1ccccc1C(F)(F)F)c1nc(C)cs1 ZINC000182193604 822141175 /nfs/dbraw/zinc/14/11/75/822141175.db2.gz KWMSJLKOTLVNSX-SUMWQHHRSA-N 1 0 388.455 4.125 20 0 GIADRO CSc1nnc(CCC[NH2+]Cc2cc(Cl)cc(C)c2O)n1CC(C)C ZINC000182205774 822146557 /nfs/dbraw/zinc/14/65/57/822146557.db2.gz BIJAENRLCAOEOY-UHFFFAOYSA-N 1 0 382.961 4.046 20 0 GIADRO C[C@H](NC(=O)OC(C)(C)C)C1CC[NH+](CCC(=O)c2ccc(F)cc2)CC1 ZINC000182250974 822169017 /nfs/dbraw/zinc/16/90/17/822169017.db2.gz ZLBQPEIETQJQAC-HNNXBMFYSA-N 1 0 378.488 4.024 20 0 GIADRO CC[C@H]([NH2+]CC(=O)Nc1cc2oc3ccccc3c2cc1OC)[C@@H]1CCCO1 ZINC000182251126 822169039 /nfs/dbraw/zinc/16/90/39/822169039.db2.gz XIVMQKXIDZBMJJ-LPHOPBHVSA-N 1 0 382.460 4.080 20 0 GIADRO CC1(C)[C@H]([NH2+]C2CCN(C(=O)c3ccccc3)CC2)C[C@@H]1OCc1ccccc1 ZINC000182263926 822176888 /nfs/dbraw/zinc/17/68/88/822176888.db2.gz PEFWGBXCEMXLPJ-PKTZIBPZSA-N 1 0 392.543 4.265 20 0 GIADRO C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cc(Cl)sc1Cl ZINC000182268712 822179740 /nfs/dbraw/zinc/17/97/40/822179740.db2.gz OCKWMDJBJQYYQV-DOMZBBRYSA-N 1 0 385.360 4.472 20 0 GIADRO C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000182296506 822192199 /nfs/dbraw/zinc/19/21/99/822192199.db2.gz GSIDEVVGNLYXRL-LSDHHAIUSA-N 1 0 380.444 4.032 20 0 GIADRO C[C@H](NC(=O)NCc1cccc(C(F)(F)F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182353191 822211725 /nfs/dbraw/zinc/21/17/25/822211725.db2.gz ZWIVZGAKNHFVPL-HOCLYGCPSA-N 1 0 383.458 4.158 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3F)cc2)CC1 ZINC000182353745 822212099 /nfs/dbraw/zinc/21/20/99/822212099.db2.gz OZGBVSQBBTZARI-UHFFFAOYSA-N 1 0 375.875 4.262 20 0 GIADRO COc1cccc([C@@H](C)CC(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)c1 ZINC000182355874 822213194 /nfs/dbraw/zinc/21/31/94/822213194.db2.gz BRTYBOQZZWVRJU-SFHVURJKSA-N 1 0 395.547 4.358 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)Cc3c(F)cccc3Cl)cc2)CC1 ZINC000182358077 822213913 /nfs/dbraw/zinc/21/39/13/822213913.db2.gz COXJVHPKXQPXQO-UHFFFAOYSA-N 1 0 389.902 4.191 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H]3C[C@@H]3c3c(F)cccc3F)cc2)CC1 ZINC000182359704 822214323 /nfs/dbraw/zinc/21/43/23/822214323.db2.gz NNLQVHURABEVEB-OALUTQOASA-N 1 0 399.485 4.237 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)CCCOc3ccc(F)cc3)cc2)CC1 ZINC000182360624 822214953 /nfs/dbraw/zinc/21/49/53/822214953.db2.gz KLLKSCDZCLNABT-UHFFFAOYSA-N 1 0 399.510 4.154 20 0 GIADRO COc1cc(Cl)ccc1C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000182359979 822215067 /nfs/dbraw/zinc/21/50/67/822215067.db2.gz VDYUZHPHAYJDIY-UHFFFAOYSA-N 1 0 387.911 4.131 20 0 GIADRO COc1ccc(Cl)cc1C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000182361376 822215490 /nfs/dbraw/zinc/21/54/90/822215490.db2.gz PJCWUFFYHDVCQZ-UHFFFAOYSA-N 1 0 387.911 4.131 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)CCCOc3ccccc3F)cc2)CC1 ZINC000182363273 822215927 /nfs/dbraw/zinc/21/59/27/822215927.db2.gz RUSGAQMOGPDGRK-UHFFFAOYSA-N 1 0 399.510 4.154 20 0 GIADRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C(=O)Nc2ccccc2)c2ccccc2)c1 ZINC000182365188 822216836 /nfs/dbraw/zinc/21/68/36/822216836.db2.gz XCCXVXQPTFSWAH-ZHRRBRCNSA-N 1 0 376.456 4.431 20 0 GIADRO CCc1ccc(CCC(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)cc1 ZINC000182375365 822220182 /nfs/dbraw/zinc/22/01/82/822220182.db2.gz ILHZHSGSOBJVOF-UHFFFAOYSA-N 1 0 379.548 4.351 20 0 GIADRO COc1ccc([C@@H](CCO)[NH2+]Cc2c(-c3ccccc3)nc3ccccn32)cc1 ZINC000182397712 822229244 /nfs/dbraw/zinc/22/92/44/822229244.db2.gz UCLDRWPBHSYARR-OAQYLSRUSA-N 1 0 387.483 4.223 20 0 GIADRO COc1ccc([C@H](CCO)[NH2+]Cc2ccc(C(=O)Nc3ccccc3)cc2)cc1 ZINC000182406532 822232150 /nfs/dbraw/zinc/23/21/50/822232150.db2.gz VVVXVXVOFAUMBN-QHCPKHFHSA-N 1 0 390.483 4.161 20 0 GIADRO CCCCN(C(=O)c1cn(C(C)(C)C)nc1C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000182415346 822234530 /nfs/dbraw/zinc/23/45/30/822234530.db2.gz ZRCYNIWAWAJMJX-UHFFFAOYSA-N 1 0 376.589 4.498 20 0 GIADRO Cc1cc(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)cnc1Br ZINC000182447708 822246389 /nfs/dbraw/zinc/24/63/89/822246389.db2.gz RYCFEHLPEUUEBL-UHFFFAOYSA-N 1 0 395.345 4.071 20 0 GIADRO Cc1[nH]c2ccccc2c1C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000182455316 822249042 /nfs/dbraw/zinc/24/90/42/822249042.db2.gz IIDZHMOGCHDLNO-UHFFFAOYSA-N 1 0 376.504 4.259 20 0 GIADRO CCOc1cc(Cl)ccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000182491339 822264787 /nfs/dbraw/zinc/26/47/87/822264787.db2.gz OFGQIAAKYZKIAW-UHFFFAOYSA-N 1 0 387.911 4.051 20 0 GIADRO C[C@H]([NH2+][C@H]1CC2(CCC2)Oc2ccccc21)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000177975051 822265204 /nfs/dbraw/zinc/26/52/04/822265204.db2.gz GHBVDOXAVYKMDY-KSSFIOAISA-N 1 0 389.492 4.326 20 0 GIADRO Cc1ccc(C(=O)Nc2ccn(CC[NH+](C)C)n2)c(Sc2ccccc2)c1 ZINC000182501941 822270885 /nfs/dbraw/zinc/27/08/85/822270885.db2.gz ROTHBZBKXURUOQ-UHFFFAOYSA-N 1 0 380.517 4.157 20 0 GIADRO Cc1cc(C)c2c(c1)[C@H]([NH2+]Cc1cccc(CN3CCCC3=O)c1)CCCO2 ZINC000177995482 822275355 /nfs/dbraw/zinc/27/53/55/822275355.db2.gz WZSYIVQNOZBFCY-JOCHJYFZSA-N 1 0 378.516 4.429 20 0 GIADRO CCc1cccc(Oc2ccc(NC(=O)N3CC[C@@H](C[N@@H+](C)CC)C3)cn2)c1 ZINC000178014835 822283109 /nfs/dbraw/zinc/28/31/09/822283109.db2.gz ZLYMPHQTNPRBKB-SFHVURJKSA-N 1 0 382.508 4.242 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1)c1ccc2c(c1)OCCCO2 ZINC000178021263 822285559 /nfs/dbraw/zinc/28/55/59/822285559.db2.gz FMNFTNLQGIQCQS-DLBZAZTESA-N 1 0 380.488 4.387 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(OCc3ccccc3C)c2)C1 ZINC000178035265 822292038 /nfs/dbraw/zinc/29/20/38/822292038.db2.gz HFDZBBMFLYITKX-LJQANCHMSA-N 1 0 381.520 4.380 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+]CCCc2nc(-c3ccc(C)c(F)c3)no2)c1 ZINC000182540845 822292489 /nfs/dbraw/zinc/29/24/89/822292489.db2.gz XVIODUHBCDVVQI-HNNXBMFYSA-N 1 0 396.466 4.426 20 0 GIADRO COc1cc(C)c([C@H](C)[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)cc1OC ZINC000178036362 822292895 /nfs/dbraw/zinc/29/28/95/822292895.db2.gz CAWRMMJKZXMGLO-CVEARBPZSA-N 1 0 384.476 4.381 20 0 GIADRO O=C(N[C@H]1CCO[C@H]1c1ccc(Cl)cc1)c1cccc(C[NH+]2CCCC2)c1 ZINC000182545368 822294347 /nfs/dbraw/zinc/29/43/47/822294347.db2.gz WAMAUZLVZSQWHF-SFTDATJTSA-N 1 0 384.907 4.196 20 0 GIADRO CC(=O)Nc1cccc([C@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cc2Cl)c1 ZINC000182546403 822295547 /nfs/dbraw/zinc/29/55/47/822295547.db2.gz NKHOLJCESACNGJ-NSHDSACASA-N 1 0 380.275 4.241 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]Cc1cccc(OCC(N)=O)c1 ZINC000178044928 822297336 /nfs/dbraw/zinc/29/73/36/822297336.db2.gz JNKJXDIPAGWVMY-OAHLLOKOSA-N 1 0 395.528 4.142 20 0 GIADRO C[C@@H]([NH2+]CC1(c2ccc(Cl)cc2)CCOCC1)c1cn(-c2ccccc2)nn1 ZINC000178048739 822299786 /nfs/dbraw/zinc/29/97/86/822299786.db2.gz GTYZISYZIPKVBM-QGZVFWFLSA-N 1 0 396.922 4.320 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]C1CCN(C(=O)CC(C)C)CC1 ZINC000178082539 822312205 /nfs/dbraw/zinc/31/22/05/822312205.db2.gz HNFUPUAVYLMZJC-HNNXBMFYSA-N 1 0 386.565 4.201 20 0 GIADRO CC[C@@H]([NH2+]C[C@H](O)COc1ccc(C(C)=O)cc1OC)c1cccc(Cl)c1 ZINC000182585819 822313328 /nfs/dbraw/zinc/31/33/28/822313328.db2.gz FKMZMUFXNXJEMO-RBUKOAKNSA-N 1 0 391.895 4.032 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@H]2CCc3cc(F)ccc32)ccc1S(=O)(=O)C(F)F ZINC000178088845 822314505 /nfs/dbraw/zinc/31/45/05/822314505.db2.gz YHVCHEFHOGYZOQ-BZNIZROVSA-N 1 0 399.434 4.169 20 0 GIADRO C[C@H](CN(C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1nccs1 ZINC000182612412 822322193 /nfs/dbraw/zinc/32/21/93/822322193.db2.gz KPQDPGDQPWVGQK-VOBGVNJCSA-N 1 0 398.576 4.084 20 0 GIADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)cc1 ZINC000178114611 822324406 /nfs/dbraw/zinc/32/44/06/822324406.db2.gz KQLFJHFZWRMCNM-YCRPNKLZSA-N 1 0 390.524 4.316 20 0 GIADRO C[C@H]([NH2+]Cc1ccc2c(c1)OCO2)c1ccc(OC(F)F)cc1OC(F)F ZINC000178118928 822324951 /nfs/dbraw/zinc/32/49/51/822324951.db2.gz CFDFYGBZZFHZDI-JTQLQIEISA-N 1 0 387.329 4.469 20 0 GIADRO C[C@@H](CC(=O)N(C)C)[NH2+][C@@H](c1ccccc1)c1ccc(Br)cc1F ZINC000178129717 822327480 /nfs/dbraw/zinc/32/74/80/822327480.db2.gz JCUSISSSWHRLBE-DJJJIMSYSA-N 1 0 393.300 4.134 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1cc2ccccc2o1)C(=O)NCCc1c[nH]c2ccccc12 ZINC000182625343 822327637 /nfs/dbraw/zinc/32/76/37/822327637.db2.gz GUWUGLQTFBAOCZ-HZPDHXFCSA-N 1 0 375.472 4.312 20 0 GIADRO CCC[N@H+](CC(=O)Nc1cc(Cl)ccc1Cl)Cc1ccc(CO)cc1 ZINC000182627107 822328677 /nfs/dbraw/zinc/32/86/77/822328677.db2.gz HUDPFSLQLWDNFN-UHFFFAOYSA-N 1 0 381.303 4.336 20 0 GIADRO COc1cc([C@@H](C)Nc2ccc(N3CC[NH+](C)CC3)cc2)ccc1OC(F)F ZINC000182633832 822331992 /nfs/dbraw/zinc/33/19/92/822331992.db2.gz SHQGNLYYWVOMMZ-OAHLLOKOSA-N 1 0 391.462 4.222 20 0 GIADRO Cc1c(NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)cccc1C(F)(F)F ZINC000178146389 822332714 /nfs/dbraw/zinc/33/27/14/822332714.db2.gz QAIOAXBKQUXRDO-UHFFFAOYSA-N 1 0 392.425 4.195 20 0 GIADRO Fc1cccc2c1SCC[C@H]2[NH2+]C[C@H](c1cccs1)N1CCOCC1 ZINC000178156540 822336736 /nfs/dbraw/zinc/33/67/36/822336736.db2.gz HKUVCTPHZQWCJN-IAGOWNOFSA-N 1 0 378.538 4.087 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc2ccccc2n1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000178180462 822344550 /nfs/dbraw/zinc/34/45/50/822344550.db2.gz SWJZMXYAZADGID-IAGOWNOFSA-N 1 0 389.499 4.304 20 0 GIADRO C[C@@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)c1cc(Br)ccc1F ZINC000178183129 822345541 /nfs/dbraw/zinc/34/55/41/822345541.db2.gz GJZMMXPQIBYPGE-MNOVXSKESA-N 1 0 383.227 4.123 20 0 GIADRO c1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@@H]2CCCN(c4ncccn4)C2)CCC3)cc1 ZINC000178190963 822347645 /nfs/dbraw/zinc/34/76/45/822347645.db2.gz CMMFVLSAFRSNIB-MSOLQXFVSA-N 1 0 391.544 4.236 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+][C@H]1CCCN(c2ncccn2)C1 ZINC000178190075 822347843 /nfs/dbraw/zinc/34/78/43/822347843.db2.gz DBRKZCSMBMFQLD-KDOFPFPSSA-N 1 0 397.523 4.367 20 0 GIADRO CSc1cnn(-c2ccccc2)c1NC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000178192422 822348200 /nfs/dbraw/zinc/34/82/00/822348200.db2.gz ADVXEGSAMJHJPM-UHFFFAOYSA-N 1 0 399.564 4.076 20 0 GIADRO Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)NCCC[NH+](C(C)C)C(C)C ZINC000182683647 822350363 /nfs/dbraw/zinc/35/03/63/822350363.db2.gz WBGWZEHOPHVJBL-IBGZPJMESA-N 1 0 377.577 4.162 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@H](C)c2cn(C)nc2C)ccc1OCc1ccncc1 ZINC000178214154 822354213 /nfs/dbraw/zinc/35/42/13/822354213.db2.gz BDZIFKBXPUUVPW-HZPDHXFCSA-N 1 0 380.492 4.123 20 0 GIADRO CSCCCCCCNC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000182701219 822354995 /nfs/dbraw/zinc/35/49/95/822354995.db2.gz MBZXAZCWJSNLBU-GOSISDBHSA-N 1 0 377.598 4.435 20 0 GIADRO COc1ccccc1N1CCC([NH2+][C@H](C)c2cc(OC)c(OC)cc2C)CC1 ZINC000178229118 822356488 /nfs/dbraw/zinc/35/64/88/822356488.db2.gz KGFSBFOJIHAKLM-QGZVFWFLSA-N 1 0 384.520 4.340 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1[C@H](C)[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000178231280 822356983 /nfs/dbraw/zinc/35/69/83/822356983.db2.gz TWWVDSXGQNENOC-SFHVURJKSA-N 1 0 389.547 4.199 20 0 GIADRO CSc1cc(C)ccc1CNC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182724595 822358091 /nfs/dbraw/zinc/35/80/91/822358091.db2.gz NFEGMAYPAHANIB-FUHWJXTLSA-N 1 0 375.582 4.169 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)cc1OC ZINC000182724389 822358099 /nfs/dbraw/zinc/35/80/99/822358099.db2.gz GDFTUBUZRDTKCI-RDJZCZTQSA-N 1 0 378.513 4.144 20 0 GIADRO Cc1cnc(CC[NH2+][C@H]2c3cc(Br)ccc3SC[C@@H]2C)cn1 ZINC000453404307 822358483 /nfs/dbraw/zinc/35/84/83/822358483.db2.gz PNWFOHCUAPBLCB-APPDUMDISA-N 1 0 378.339 4.163 20 0 GIADRO Cn1ccnc1[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3ccc(Br)cc32)CCO1 ZINC000453408359 822358689 /nfs/dbraw/zinc/35/86/89/822358689.db2.gz VNIYDLNTBKZCHF-NXHRZFHOSA-N 1 0 390.325 4.070 20 0 GIADRO Cc1ccccc1[C@H](C)CC(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000178252021 822358720 /nfs/dbraw/zinc/35/87/20/822358720.db2.gz JCEXXMUONHRZOS-NJYVYQBISA-N 1 0 386.580 4.227 20 0 GIADRO CN(Cc1ccc(F)c(F)c1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000045037090 822358924 /nfs/dbraw/zinc/35/89/24/822358924.db2.gz RBCQBQLPCFSYKU-UHFFFAOYSA-N 1 0 387.474 4.292 20 0 GIADRO C[C@@H](NC(=O)NC[C@@H](c1cccs1)[NH+](C)C)c1ccc(OC(F)F)cc1 ZINC000045039655 822359174 /nfs/dbraw/zinc/35/91/74/822359174.db2.gz VGHQLHCFAVJAPM-DOMZBBRYSA-N 1 0 383.464 4.013 20 0 GIADRO O=C(Nc1cccc(NC(=O)N2CC[NH+](C3CCCCC3)CC2)c1)c1ccoc1 ZINC000178256583 822359628 /nfs/dbraw/zinc/35/96/28/822359628.db2.gz OLRAVJWUNCKFJD-UHFFFAOYSA-N 1 0 396.491 4.014 20 0 GIADRO C[C@H]1C[NH+](CCC2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)C[C@H](C)O1 ZINC000178256466 822359637 /nfs/dbraw/zinc/35/96/37/822359637.db2.gz YOTLFNYAORRPDM-HOTGVXAUSA-N 1 0 398.469 4.057 20 0 GIADRO C[C@@H]1C[NH+](CCC2CCN(C(=O)c3ccc(-c4ccccc4)[nH]3)CC2)C[C@@H](C)O1 ZINC000178263133 822360432 /nfs/dbraw/zinc/36/04/32/822360432.db2.gz PTLHIVQPCGNXFP-RTBURBONSA-N 1 0 395.547 4.033 20 0 GIADRO CSc1cccc([C@H]([NH2+]C[C@@]2(C)CCC(=O)N2)c2ccc(F)c(F)c2)c1 ZINC000453421573 822360589 /nfs/dbraw/zinc/36/05/89/822360589.db2.gz MGPSPOIKACDZHG-VQTJNVASSA-N 1 0 376.472 4.034 20 0 GIADRO COc1cccc(C[NH2+][C@@H]2CCCOc3ccc(Br)cc32)c1OC ZINC000178263747 822360671 /nfs/dbraw/zinc/36/06/71/822360671.db2.gz KLSJRUGAJRSBAZ-MRXNPFEDSA-N 1 0 392.293 4.470 20 0 GIADRO CC(C)[N@@H+]1CCCN(c2nnc([C@@H](C)Oc3ccc4ccccc4c3)n2C)CC1 ZINC000453422952 822360662 /nfs/dbraw/zinc/36/06/62/822360662.db2.gz LBHVFWAAXNOXKH-GOSISDBHSA-N 1 0 393.535 4.029 20 0 GIADRO C[C@@H]([NH2+]Cc1nnc2n1CCCCC2)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000178285428 822363401 /nfs/dbraw/zinc/36/34/01/822363401.db2.gz FWFHVZQFUKPYAZ-OLZOCXBDSA-N 1 0 383.323 4.257 20 0 GIADRO COc1cc(C)c([C@H](C)NC(=O)C[NH2+][C@@H](C)c2cc(C)sc2C)cc1OC ZINC000182759491 822363381 /nfs/dbraw/zinc/36/33/81/822363381.db2.gz IUAMXNXIEGLKNZ-GJZGRUSLSA-N 1 0 390.549 4.219 20 0 GIADRO CCOc1ccccc1NC(=O)[C@H]([NH2+]CC[C@H]1CCCCO1)c1ccccc1 ZINC000182759393 822363487 /nfs/dbraw/zinc/36/34/87/822363487.db2.gz HSIMXJDINYAQPU-DENIHFKCSA-N 1 0 382.504 4.314 20 0 GIADRO C[C@H](NC(=O)NCc1cccc(-c2ccccn2)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182759872 822363633 /nfs/dbraw/zinc/36/36/33/822363633.db2.gz QCARTUNSDFVPMR-RXVVDRJESA-N 1 0 392.547 4.201 20 0 GIADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H](Cc2ccccc2)c2ccccc2)c1 ZINC000178297272 822364440 /nfs/dbraw/zinc/36/44/40/822364440.db2.gz ORVXURQKGJFTSE-FDDCHVKYSA-N 1 0 394.540 4.229 20 0 GIADRO COc1ccc([C@H](C)[NH2+]Cc2ccccc2CS(C)(=O)=O)c2ccccc12 ZINC000178298077 822364690 /nfs/dbraw/zinc/36/46/90/822364690.db2.gz ALPKJNXOPRCALI-INIZCTEOSA-N 1 0 383.513 4.244 20 0 GIADRO CCOc1cccc2cc([C@H](C)NC(=O)NC3CC[NH+](CC(C)C)CC3)oc21 ZINC000045133814 822365111 /nfs/dbraw/zinc/36/51/11/822365111.db2.gz JAOVGLPVVPJYOY-INIZCTEOSA-N 1 0 387.524 4.312 20 0 GIADRO CCOc1cccc2cc([C@@H](C)NC(=O)N3CCC(C[NH+]4CCCC4)CC3)oc21 ZINC000045133295 822365130 /nfs/dbraw/zinc/36/51/30/822365130.db2.gz CLBVUPYLDOMQIU-QGZVFWFLSA-N 1 0 399.535 4.410 20 0 GIADRO CCOc1cccc2cc([C@H](C)NC(=O)N3CCC(C[NH+]4CCCC4)CC3)oc21 ZINC000045133297 822365162 /nfs/dbraw/zinc/36/51/62/822365162.db2.gz CLBVUPYLDOMQIU-KRWDZBQOSA-N 1 0 399.535 4.410 20 0 GIADRO COc1cc(OC)c(OC)cc1C[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000178317774 822366950 /nfs/dbraw/zinc/36/69/50/822366950.db2.gz OSJSCNVWFXXGMD-INIZCTEOSA-N 1 0 397.393 4.388 20 0 GIADRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccnc1C)c1ccc(Br)cc1 ZINC000453457442 822367534 /nfs/dbraw/zinc/36/75/34/822367534.db2.gz VMHCBMPXDGPXSY-XJKSGUPXSA-N 1 0 376.298 4.220 20 0 GIADRO C[C@@H](CNC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1)c1nccs1 ZINC000182792480 822368036 /nfs/dbraw/zinc/36/80/36/822368036.db2.gz QRFPNARISXVTHJ-JKSUJKDBSA-N 1 0 392.594 4.081 20 0 GIADRO COCCOC1CC[NH+](CCSc2ccnc3cc(Cl)ccc32)CC1 ZINC000182795062 822368478 /nfs/dbraw/zinc/36/84/78/822368478.db2.gz QTMFBYPUMIYWCT-UHFFFAOYSA-N 1 0 380.941 4.108 20 0 GIADRO Cc1cc([C@H]2CCCN2C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)on1 ZINC000045186679 822368608 /nfs/dbraw/zinc/36/86/08/822368608.db2.gz MFWHAWLUOMQFBA-HXUWFJFHSA-N 1 0 382.508 4.016 20 0 GIADRO COc1ccc(OC(F)F)c(N[C@H](C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000182798157 822369132 /nfs/dbraw/zinc/36/91/32/822369132.db2.gz FIWNPKFBYMUQDB-CQSZACIVSA-N 1 0 380.435 4.410 20 0 GIADRO COC(=O)Nc1ccc(NC(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000045191981 822369225 /nfs/dbraw/zinc/36/92/25/822369225.db2.gz TZYKBXSFRQOZGN-UHFFFAOYSA-N 1 0 396.491 4.173 20 0 GIADRO C[C@@H](Nc1cccc(C[NH+]2CCSCC2)c1)c1ccc(N2CCOC2=O)cc1 ZINC000182806008 822370689 /nfs/dbraw/zinc/37/06/89/822370689.db2.gz ROWKVTSLLYANCK-QGZVFWFLSA-N 1 0 397.544 4.365 20 0 GIADRO C[C@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1ccc(F)cc1Br ZINC000178366047 822371686 /nfs/dbraw/zinc/37/16/86/822371686.db2.gz DTWJREYNHOZGES-JTQLQIEISA-N 1 0 383.227 4.266 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000178367460 822371910 /nfs/dbraw/zinc/37/19/10/822371910.db2.gz ONSOZFKQQXWZQJ-GFCCVEGCSA-N 1 0 384.471 4.191 20 0 GIADRO Cc1cc(N2CCCC2)ccc1NC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182828734 822374390 /nfs/dbraw/zinc/37/43/90/822374390.db2.gz WWISBSNGMBVQOQ-MOPGFXCFSA-N 1 0 384.568 4.370 20 0 GIADRO COc1ccccc1[C@@H](NC(=O)Nc1cccc(C[NH+](C)C)c1)c1ccco1 ZINC000178390327 822374604 /nfs/dbraw/zinc/37/46/04/822374604.db2.gz USWJAYOHXZOHMM-OAQYLSRUSA-N 1 0 379.460 4.261 20 0 GIADRO O=C(N[C@@H]1CCSc2ccc(Cl)cc21)N1CCC(C[NH+]2CCCC2)CC1 ZINC000045269882 822374975 /nfs/dbraw/zinc/37/49/75/822374975.db2.gz SPWSEKJGEJOOHY-GOSISDBHSA-N 1 0 393.984 4.394 20 0 GIADRO COc1ccccc1C[C@H]([NH2+][C@H](C)C(=O)Nc1c(F)cccc1F)C(C)C ZINC000178399034 822375515 /nfs/dbraw/zinc/37/55/15/822375515.db2.gz COTUSCZJZGUECR-KDOFPFPSSA-N 1 0 376.447 4.157 20 0 GIADRO C[C@@H](NC(=O)c1c[nH]nc1-c1cccc(Cl)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182851145 822378888 /nfs/dbraw/zinc/37/88/88/822378888.db2.gz SFFCRGAFWCFEKJ-GDBMZVCRSA-N 1 0 386.927 4.113 20 0 GIADRO C[C@H]([NH2+]Cc1ccccc1OCC(F)(F)F)c1ccc(N2CCOC2=O)cc1 ZINC000178436233 822378974 /nfs/dbraw/zinc/37/89/74/822378974.db2.gz JPPMPFOCIGIQDI-AWEZNQCLSA-N 1 0 394.393 4.435 20 0 GIADRO CCn1cnnc1-c1cccc(N[C@@H](C)c2cccc(OCC[NH+](C)C)c2)c1 ZINC000182853935 822379416 /nfs/dbraw/zinc/37/94/16/822379416.db2.gz KVEKCMDUYLSXBA-KRWDZBQOSA-N 1 0 379.508 4.079 20 0 GIADRO C[C@@H](NC(=O)Nc1ccc(OCC(F)(F)F)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182855722 822379723 /nfs/dbraw/zinc/37/97/23/822379723.db2.gz ABVDFDVPUMTMDV-HUUCEWRRSA-N 1 0 399.457 4.402 20 0 GIADRO C[C@H](NC(=O)N1CCC(COc2ccccc2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182861072 822380941 /nfs/dbraw/zinc/38/09/41/822380941.db2.gz UGNYHXRYJTVCHE-PZJWPPBQSA-N 1 0 399.579 4.140 20 0 GIADRO C[C@H](NC(=O)Nc1nnc(-c2ccsc2)s1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182860632 822381045 /nfs/dbraw/zinc/38/10/45/822381045.db2.gz FZYAOUMJTDKLEO-QWHCGFSZSA-N 1 0 391.566 4.041 20 0 GIADRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000178472355 822382618 /nfs/dbraw/zinc/38/26/18/822382618.db2.gz BOJXYXANNSZFGX-NSHDSACASA-N 1 0 387.789 4.141 20 0 GIADRO COC(=O)c1ccc(CN[C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)c(F)c1 ZINC000182872062 822383325 /nfs/dbraw/zinc/38/33/25/822383325.db2.gz DLFLPMAMPKMOPP-ZDUSSCGKSA-N 1 0 385.414 4.096 20 0 GIADRO O=C(N[C@@H](c1ccccc1)c1cccc(Cl)c1)NC1CC[NH+](C2CC2)CC1 ZINC000045409767 822385567 /nfs/dbraw/zinc/38/55/67/822385567.db2.gz SRHPDUDUZNDICB-NRFANRHFSA-N 1 0 383.923 4.355 20 0 GIADRO O=C(N[C@H](c1ccccc1)c1cccc(Cl)c1)NC1CC[NH+](C2CC2)CC1 ZINC000045409768 822385584 /nfs/dbraw/zinc/38/55/84/822385584.db2.gz SRHPDUDUZNDICB-OAQYLSRUSA-N 1 0 383.923 4.355 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1)c1cccnc1 ZINC000182884608 822385763 /nfs/dbraw/zinc/38/57/63/822385763.db2.gz HFUKYCNMUCUERW-QGZVFWFLSA-N 1 0 389.503 4.214 20 0 GIADRO Cc1cc(Br)c(C[NH+]2CCC(C(=O)N3CCCCC3)CC2)s1 ZINC000453568894 822385777 /nfs/dbraw/zinc/38/57/77/822385777.db2.gz YLDHXMKMCWOCCV-UHFFFAOYSA-N 1 0 385.371 4.044 20 0 GIADRO CCC[C@H]([NH2+][C@H](C)c1ccc2c(c1)CCO2)C(=O)N1CCc2sccc2C1 ZINC000178503287 822385878 /nfs/dbraw/zinc/38/58/78/822385878.db2.gz DCDAIJZIJLLBFX-BEFAXECRSA-N 1 0 384.545 4.087 20 0 GIADRO CCOCc1cc(C[NH+]2CCC3(CC2)OCCc2ccccc23)ccc1OC ZINC000453570021 822385884 /nfs/dbraw/zinc/38/58/84/822385884.db2.gz BUQIAWAINCVJGZ-UHFFFAOYSA-N 1 0 381.516 4.296 20 0 GIADRO COc1cc(C[NH+]2CCC3(CC2)OCCc2ccccc23)c(SC)cc1OC ZINC000453571316 822385932 /nfs/dbraw/zinc/38/59/32/822385932.db2.gz FILIDSLPSHVTSX-UHFFFAOYSA-N 1 0 399.556 4.490 20 0 GIADRO C[C@H](NC(=O)Nc1ccc(Br)cc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182887674 822386370 /nfs/dbraw/zinc/38/63/70/822386370.db2.gz SCTAUVUDTZGSNB-QWHCGFSZSA-N 1 0 398.320 4.363 20 0 GIADRO Cc1nc2c(s1)[C@H](N(C)C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C3CCC3)C1)CCC2 ZINC000182889967 822386751 /nfs/dbraw/zinc/38/67/51/822386751.db2.gz LGAOQAVMMVGIPJ-IDHHARJASA-N 1 0 390.597 4.123 20 0 GIADRO CSc1cc2c(cc1C[NH2+][C@H](c1cccs1)C(C)(C)CO)OCCO2 ZINC000453576776 822387148 /nfs/dbraw/zinc/38/71/48/822387148.db2.gz NIYJOWBUHIRHCZ-GOSISDBHSA-N 1 0 379.547 4.091 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)CCCCc1nc2ccccc2s1)c1ccsc1 ZINC000045443944 822387854 /nfs/dbraw/zinc/38/78/54/822387854.db2.gz KZPOOPCFRSDPQC-KRWDZBQOSA-N 1 0 387.574 4.490 20 0 GIADRO CC(C)(CO)[C@@H]([NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1)c1cccs1 ZINC000453581888 822387977 /nfs/dbraw/zinc/38/79/77/822387977.db2.gz VKPWNSRRPCBLER-SFHVURJKSA-N 1 0 375.925 4.437 20 0 GIADRO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CCCc1nnc2n1CCCCC2 ZINC000178527672 822388122 /nfs/dbraw/zinc/38/81/22/822388122.db2.gz LAYWPJSRXCOIAY-CQSZACIVSA-N 1 0 375.586 4.350 20 0 GIADRO COc1c(Br)cccc1C[NH2+][C@@H](c1cccs1)C(C)(C)CO ZINC000453581934 822388151 /nfs/dbraw/zinc/38/81/51/822388151.db2.gz VXPWABVFQZSLMW-INIZCTEOSA-N 1 0 384.339 4.369 20 0 GIADRO C[C@@H](NC(=O)CSc1nccc2ccccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182898146 822388394 /nfs/dbraw/zinc/38/83/94/822388394.db2.gz LJWYSYYHRBPZHS-SJLPKXTDSA-N 1 0 383.561 4.096 20 0 GIADRO [NH3+]C[C@H]1CCN(C(=O)c2oc3ccccc3c2CSc2ccc(F)cc2)C1 ZINC000178530154 822388568 /nfs/dbraw/zinc/38/85/68/822388568.db2.gz KXWQLHJLVZRGKT-CQSZACIVSA-N 1 0 384.476 4.285 20 0 GIADRO CC(C)C[NH+]1CCC(NC(=O)N(Cc2ccco2)Cc2cccs2)CC1 ZINC000045463731 822388854 /nfs/dbraw/zinc/38/88/54/822388854.db2.gz KDMYOPCMMMZAKV-UHFFFAOYSA-N 1 0 375.538 4.173 20 0 GIADRO C[C@@H](NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182899932 822388883 /nfs/dbraw/zinc/38/88/83/822388883.db2.gz ACYHLWFNXMHHRR-OLZOCXBDSA-N 1 0 380.876 4.023 20 0 GIADRO C[C@@H](NC(=O)Nc1ccccc1N1CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182902555 822389466 /nfs/dbraw/zinc/38/94/66/822389466.db2.gz BTWAYDTZTWOMQC-MOPGFXCFSA-N 1 0 384.568 4.451 20 0 GIADRO Cc1cnc(CC[NH2+]Cc2ccc(Br)cc2SC(C)C)cn1 ZINC000453590065 822389718 /nfs/dbraw/zinc/38/97/18/822389718.db2.gz ABTMLJSETFRWJI-UHFFFAOYSA-N 1 0 380.355 4.380 20 0 GIADRO CCOc1ccc(NC2CCN(Cc3c(F)cccc3Cl)CC2)cc1CO ZINC000182905610 822390001 /nfs/dbraw/zinc/39/00/01/822390001.db2.gz OXQWHMOPQMQDNJ-UHFFFAOYSA-N 1 0 392.902 4.447 20 0 GIADRO CCOCCC[N@@H+]1CC[C@H](NCc2sc(C)cc2Br)[C@H](C)C1 ZINC000453592371 822390095 /nfs/dbraw/zinc/39/00/95/822390095.db2.gz RCXIXUNJVHOZKS-CJNGLKHVSA-N 1 0 389.403 4.046 20 0 GIADRO COc1ccc(CC[NH2+][C@@H](C)c2cccc(OC(F)F)c2)c(OC)c1OC ZINC000178555993 822391630 /nfs/dbraw/zinc/39/16/30/822391630.db2.gz ZBIATQBXWUZNHQ-ZDUSSCGKSA-N 1 0 381.419 4.207 20 0 GIADRO Cc1nc(-c2ccccc2)c(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000178572361 822392825 /nfs/dbraw/zinc/39/28/25/822392825.db2.gz OKKQVYPEAJKENY-IEBWSBKVSA-N 1 0 381.545 4.207 20 0 GIADRO FC(F)(F)CN1Cc2ccc(NC3CC[NH+](Cc4ccncc4)CC3)cc2C1 ZINC000453614925 822393391 /nfs/dbraw/zinc/39/33/91/822393391.db2.gz QBTGPVVPMGDSGS-UHFFFAOYSA-N 1 0 390.453 4.036 20 0 GIADRO COCCN1[C@H](C)C[N@@H+](CCSc2ccnc3cc(Cl)ccc32)C[C@@H]1C ZINC000182926800 822394250 /nfs/dbraw/zinc/39/42/50/822394250.db2.gz ONPIUIIIPKMMDV-IYBDPMFKSA-N 1 0 393.984 4.021 20 0 GIADRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2csc(COc3ccccc3)n2)cc1C ZINC000453625569 822394996 /nfs/dbraw/zinc/39/49/96/822394996.db2.gz KMVQITUCGFITSN-IBGZPJMESA-N 1 0 382.529 4.032 20 0 GIADRO CO[C@@H]1CC[C@@H]2OCC[N@H+](CCSc3ccnc4cc(Cl)ccc43)[C@@H]2C1 ZINC000182933806 822395606 /nfs/dbraw/zinc/39/56/06/822395606.db2.gz CLYPJKFDPCUVAM-LZQZEXGQSA-N 1 0 392.952 4.249 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)COc1ccc(C(F)(F)F)cc1)c1ccc2ccccc2n1 ZINC000178609413 822395908 /nfs/dbraw/zinc/39/59/08/822395908.db2.gz GPQCEQHBPIMSPK-YOEHRIQHSA-N 1 0 390.405 4.344 20 0 GIADRO C[C@@H](NC(=O)N(C)CCOc1ccc(Cl)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182938338 822396335 /nfs/dbraw/zinc/39/63/35/822396335.db2.gz HKLDGROOPKVYLV-SJORKVTESA-N 1 0 393.959 4.013 20 0 GIADRO O=C(NCCC[NH+](Cc1ccccc1)Cc1ccccc1)NCc1cscn1 ZINC000178620447 822397021 /nfs/dbraw/zinc/39/70/21/822397021.db2.gz MWCZNRORPJXDMQ-UHFFFAOYSA-N 1 0 394.544 4.035 20 0 GIADRO C[C@@H]([NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1)c1ccc2ccccc2n1 ZINC000178634386 822398061 /nfs/dbraw/zinc/39/80/61/822398061.db2.gz OQRZZVDGMYGPCF-QGZVFWFLSA-N 1 0 390.483 4.363 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)Nc2cc3c(cc2Cl)OCO3)CC1 ZINC000182948887 822398278 /nfs/dbraw/zinc/39/82/78/822398278.db2.gz XLCYVCQWHNPHDQ-UHFFFAOYSA-N 1 0 395.931 4.435 20 0 GIADRO CCOc1cc(C[NH2+][C@@H](C)c2cc(C)cc(C)c2)nc2nc(C(F)(F)F)nn21 ZINC000182948555 822398353 /nfs/dbraw/zinc/39/83/53/822398353.db2.gz FHZVFUSCTWMXPN-ZDUSSCGKSA-N 1 0 393.413 4.009 20 0 GIADRO Cc1nc(C)c([C@@H](C)[NH2+]C[C@H](O)COc2cccc(Cl)c2Cl)s1 ZINC000178640637 822398732 /nfs/dbraw/zinc/39/87/32/822398732.db2.gz PZBIYIVWOVOMTB-SKDRFNHKSA-N 1 0 375.321 4.157 20 0 GIADRO COCC[C@H](C)Nc1ccccc1C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000182968877 822401570 /nfs/dbraw/zinc/40/15/70/822401570.db2.gz NOAZWJNFEUSXLP-KRWDZBQOSA-N 1 0 384.520 4.099 20 0 GIADRO C[C@](O)(C[NH2+][C@H]1CCCOc2ccc(Br)cc21)c1ccsc1 ZINC000178674696 822401837 /nfs/dbraw/zinc/40/18/37/822401837.db2.gz OCFHDRMXXIJRTK-RDJZCZTQSA-N 1 0 382.323 4.222 20 0 GIADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)C[C@H]2CCCc3ccccc32)CC1 ZINC000178679257 822402253 /nfs/dbraw/zinc/40/22/53/822402253.db2.gz KSEUVYNVHXTPHH-WIYYLYMNSA-N 1 0 377.532 4.233 20 0 GIADRO Cn1cc(C[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)c(C2CCCCC2)n1 ZINC000182972980 822402412 /nfs/dbraw/zinc/40/24/12/822402412.db2.gz GZNCTKUCYMFLDR-IBGZPJMESA-N 1 0 396.583 4.165 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)N2C[C@@H](C)C[C@H]2c2cccnc2)c1 ZINC000182976587 822403075 /nfs/dbraw/zinc/40/30/75/822403075.db2.gz QXRNBHQMMHNHBN-AVRDEDQJSA-N 1 0 380.536 4.216 20 0 GIADRO C[C@@H](NC(=O)NC1CCC(C[NH+](C)C)CC1)c1cccc(OC(F)(F)F)c1 ZINC000178691301 822403218 /nfs/dbraw/zinc/40/32/18/822403218.db2.gz HQSLZYZXDVYFAW-VQCLRJIVSA-N 1 0 387.446 4.066 20 0 GIADRO CC(C)n1cc([C@@H](C)[NH2+]C[C@@H]2CCN(c3ccc(Br)cc3)C2)cn1 ZINC000178712801 822404908 /nfs/dbraw/zinc/40/49/08/822404908.db2.gz FXWSPIROGBFHHZ-CVEARBPZSA-N 1 0 391.357 4.404 20 0 GIADRO O=C(CC[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)Nc1ccccc1Cl ZINC000045681326 822405249 /nfs/dbraw/zinc/40/52/49/822405249.db2.gz ZOQYNFGFVLGHSY-SFHVURJKSA-N 1 0 386.879 4.277 20 0 GIADRO O=C(CC[NH+]1CCN(c2ccc(F)cc2)CC1)Nc1cccc2ccccc21 ZINC000045683956 822405285 /nfs/dbraw/zinc/40/52/85/822405285.db2.gz AUQONVWPEBFVOJ-UHFFFAOYSA-N 1 0 377.463 4.130 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000178741220 822406575 /nfs/dbraw/zinc/40/65/75/822406575.db2.gz KEHJAKZVZZKHMN-IUODEOHRSA-N 1 0 397.466 4.322 20 0 GIADRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(-n3cncn3)cc2)c2cccc(Br)c21 ZINC000178743143 822406704 /nfs/dbraw/zinc/40/67/04/822406704.db2.gz UNUWXTYVOJDFJK-ACJLOTCBSA-N 1 0 383.293 4.368 20 0 GIADRO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000178747332 822406900 /nfs/dbraw/zinc/40/69/00/822406900.db2.gz QDPPQAFJYGDOFZ-MRXNPFEDSA-N 1 0 386.517 4.111 20 0 GIADRO C[C@@H](CNC(=S)Nc1ccc(OC(F)F)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000045712257 822407088 /nfs/dbraw/zinc/40/70/88/822407088.db2.gz HZVHPIXDRXGVFT-AWEZNQCLSA-N 1 0 391.487 4.021 20 0 GIADRO O=C(C[C@H]1CSCC[NH2+]1)Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1 ZINC000178752406 822407192 /nfs/dbraw/zinc/40/71/92/822407192.db2.gz LKPCPYRVXLTYTE-ZDUSSCGKSA-N 1 0 398.315 4.214 20 0 GIADRO O=C(C[C@@H]1CSCC[NH2+]1)Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1 ZINC000178752400 822407208 /nfs/dbraw/zinc/40/72/08/822407208.db2.gz LKPCPYRVXLTYTE-CYBMUJFWSA-N 1 0 398.315 4.214 20 0 GIADRO COc1cc(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)ccc1OC1CCCC1 ZINC000045718035 822407711 /nfs/dbraw/zinc/40/77/11/822407711.db2.gz GNAWLVGBQCKNJN-GOSISDBHSA-N 1 0 388.533 4.111 20 0 GIADRO CC[C@H](Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1)c1ccc(Cl)s1 ZINC000183004980 822409678 /nfs/dbraw/zinc/40/96/78/822409678.db2.gz KFNORMGSWXJWHX-JKSUJKDBSA-N 1 0 377.941 4.414 20 0 GIADRO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000183008078 822410356 /nfs/dbraw/zinc/41/03/56/822410356.db2.gz ZAIFKBCCRBIIMY-UHFFFAOYSA-N 1 0 393.409 4.025 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@H](C)c2cccc(C3CC3)c2)c1 ZINC000453779109 822410514 /nfs/dbraw/zinc/41/05/14/822410514.db2.gz ZTGICQMZDRZJHQ-QGZVFWFLSA-N 1 0 393.531 4.222 20 0 GIADRO CN(Cc1csc2ccccc12)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000045755786 822410567 /nfs/dbraw/zinc/41/05/67/822410567.db2.gz VPTADEIGQVDZNL-UHFFFAOYSA-N 1 0 394.544 4.102 20 0 GIADRO O=C(NNc1cc[nH+]cc1)[C@H](Oc1ccccc1Br)c1ccccc1 ZINC000183010456 822410857 /nfs/dbraw/zinc/41/08/57/822410857.db2.gz LMBUMSAESPJIIP-GOSISDBHSA-N 1 0 398.260 4.108 20 0 GIADRO Cc1nc(C(C)C)sc1[C@@H](C)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000183011851 822411036 /nfs/dbraw/zinc/41/10/36/822411036.db2.gz GHAXMNIPSATUNK-RDTXWAMCSA-N 1 0 386.565 4.198 20 0 GIADRO C[C@@H](NC1CC[NH+](CC2CC2)CC1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000178800670 822411466 /nfs/dbraw/zinc/41/14/66/822411466.db2.gz GSFBJEJNXNQDKQ-UTKZUKDTSA-N 1 0 390.543 4.299 20 0 GIADRO Cc1cc(C(=O)CN2CC[NH+](C3CCCC3)CC2)c(C)n1Cc1ccc(F)cc1 ZINC000045768120 822411698 /nfs/dbraw/zinc/41/16/98/822411698.db2.gz FXHARXDGQQYLMF-UHFFFAOYSA-N 1 0 397.538 4.035 20 0 GIADRO C[C@@H](NC(=O)[C@H](C)N1CC[NH+](C2CCCC2)CC1)c1ccc(Cl)cc1Cl ZINC000045767672 822411733 /nfs/dbraw/zinc/41/17/33/822411733.db2.gz PVYGIABBZMPMPZ-CABCVRRESA-N 1 0 398.378 4.119 20 0 GIADRO Cc1nn(C)cc1[C@H](C)[NH2+][C@@H](C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000178802162 822411819 /nfs/dbraw/zinc/41/18/19/822411819.db2.gz ZZDNKEOYNJDEBI-MPGHIAIKSA-N 1 0 375.488 4.227 20 0 GIADRO C[C@@H]([NH3+])C1CCN(C(=O)c2cn(C(C)(C)C)nc2-c2ccccc2Cl)CC1 ZINC000178806399 822412159 /nfs/dbraw/zinc/41/21/59/822412159.db2.gz MISHWDAQJLEQAT-CQSZACIVSA-N 1 0 388.943 4.158 20 0 GIADRO C[C@H]([NH3+])C1CCN(C(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)CC1 ZINC000178810059 822412663 /nfs/dbraw/zinc/41/26/63/822412663.db2.gz CWDQQQNPGUPWRI-INIZCTEOSA-N 1 0 375.472 4.208 20 0 GIADRO Cc1sc(CCNC(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)nc1-c1ccccc1 ZINC000178813687 822413010 /nfs/dbraw/zinc/41/30/10/822413010.db2.gz QBXFIMOIXBCZDJ-FOIQADDNSA-N 1 0 379.529 4.113 20 0 GIADRO C[C@@H]([NH3+])C1CCN(C(=O)c2cccnc2Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000178814336 822413320 /nfs/dbraw/zinc/41/33/20/822413320.db2.gz WZKASQSMDXQAPP-GFCCVEGCSA-N 1 0 393.318 4.331 20 0 GIADRO COc1ccccc1CN(C)C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000045786397 822413451 /nfs/dbraw/zinc/41/34/51/822413451.db2.gz XQWINAKTLCLJRX-LJQANCHMSA-N 1 0 395.547 4.269 20 0 GIADRO CC(C)CCN(C(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)C1CC1 ZINC000045787256 822413527 /nfs/dbraw/zinc/41/35/27/822413527.db2.gz JSBSVGANQNUHCD-RTBURBONSA-N 1 0 387.568 4.016 20 0 GIADRO C[C@@H]([NH3+])C1CCN(C(=O)c2oc3ccccc3c2COc2ccccc2)CC1 ZINC000178818685 822413601 /nfs/dbraw/zinc/41/36/01/822413601.db2.gz WIBVCZKQBNXDNH-MRXNPFEDSA-N 1 0 378.472 4.211 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCCc1nc2ccccc2s1 ZINC000045788954 822414036 /nfs/dbraw/zinc/41/40/36/822414036.db2.gz DKUWFBVXMUGVGQ-UHFFFAOYSA-N 1 0 396.560 4.178 20 0 GIADRO CN(Cc1ccc2ccccc2c1)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000045793471 822414296 /nfs/dbraw/zinc/41/42/96/822414296.db2.gz HRXHSFIQYFDPPP-UHFFFAOYSA-N 1 0 391.515 4.122 20 0 GIADRO COc1ccc(-c2cc(C(=O)N3CCC([C@H](C)[NH3+])CC3)c3ccccc3n2)cc1 ZINC000178828611 822414526 /nfs/dbraw/zinc/41/45/26/822414526.db2.gz HWXYYQYLSARKNT-INIZCTEOSA-N 1 0 389.499 4.110 20 0 GIADRO CSc1cccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)c1 ZINC000045812888 822415561 /nfs/dbraw/zinc/41/55/61/822415561.db2.gz PGGZHPFEJLOWEG-LSDHHAIUSA-N 1 0 397.544 4.435 20 0 GIADRO CC(C)c1ccc(CN(C)C(=O)NCc2cccc(OCC[NH+](C)C)c2)cc1 ZINC000045813692 822415907 /nfs/dbraw/zinc/41/59/07/822415907.db2.gz XSULOQFMNAQFSU-UHFFFAOYSA-N 1 0 383.536 4.092 20 0 GIADRO CC(C)Oc1cccc(NC(=O)C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000453868200 822417265 /nfs/dbraw/zinc/41/72/65/822417265.db2.gz NOFQAPSUXKJQEE-UHFFFAOYSA-N 1 0 395.503 4.037 20 0 GIADRO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1 ZINC000183048299 822417284 /nfs/dbraw/zinc/41/72/84/822417284.db2.gz XQLPYOADVVSINX-MSYCTHLASA-N 1 0 391.559 4.349 20 0 GIADRO COc1cc(-c2ccccc2)ccc1C[NH2+]Cc1cccc(CS(C)(=O)=O)c1 ZINC000183057519 822418340 /nfs/dbraw/zinc/41/83/40/822418340.db2.gz CXCZODREJPRRIO-UHFFFAOYSA-N 1 0 395.524 4.197 20 0 GIADRO CC[C@@H](NC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccc(C)cc1 ZINC000178889511 822419472 /nfs/dbraw/zinc/41/94/72/822419472.db2.gz IYUWHVIDLXYNPG-PGRDOPGGSA-N 1 0 380.536 4.366 20 0 GIADRO O=c1ccccn1Cc1ccc(C[NH2+]Cc2ccc(-c3ccncc3)cc2F)cc1 ZINC000178892399 822419618 /nfs/dbraw/zinc/41/96/18/822419618.db2.gz CAXVWIRFFSQSDB-UHFFFAOYSA-N 1 0 399.469 4.388 20 0 GIADRO Cc1oc2ccc(NC(=O)C(=O)Nc3ccc4c(c3)CC[C@H]4[NH+](C)C)cc2c1C ZINC000453955881 822420088 /nfs/dbraw/zinc/42/00/88/822420088.db2.gz BPGICRHYJCAADM-HXUWFJFHSA-N 1 0 391.471 4.176 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)Nc2ccc(-c3ncon3)cc2)CC1 ZINC000183070158 822420264 /nfs/dbraw/zinc/42/02/64/822420264.db2.gz ZBEYSNZSRDERAP-UHFFFAOYSA-N 1 0 385.512 4.103 20 0 GIADRO CCc1ccc([C@@H](CNC(=O)c2cc3ccc(F)cc3nc2C)[NH+](C)C)cc1 ZINC000045871047 822420397 /nfs/dbraw/zinc/42/03/97/822420397.db2.gz VEUZPMDLMDRPBB-JOCHJYFZSA-N 1 0 379.479 4.277 20 0 GIADRO COc1ccc([C@H](C)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)cc1OC ZINC000183072486 822420665 /nfs/dbraw/zinc/42/06/65/822420665.db2.gz UOHXSOORPRAMQX-KRWDZBQOSA-N 1 0 384.520 4.081 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)C(=O)Nc3ccc4c5c(cccc53)CC4)ccc21 ZINC000453980775 822420890 /nfs/dbraw/zinc/42/08/90/822420890.db2.gz JVBVCAYDGGEXGX-JOCHJYFZSA-N 1 0 399.494 4.065 20 0 GIADRO COCc1cc([C@H](C)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)ccc1OC ZINC000183077346 822421609 /nfs/dbraw/zinc/42/16/09/822421609.db2.gz NOOYQDMIHHVNIM-SFHVURJKSA-N 1 0 398.547 4.219 20 0 GIADRO C[C@H](Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccc2c(c1)OCCCO2 ZINC000183077398 822421637 /nfs/dbraw/zinc/42/16/37/822421637.db2.gz HCSIFNMBIRSGRN-SFHVURJKSA-N 1 0 396.531 4.225 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)C(=O)Nc3cc(Cl)ccc3Cl)ccc21 ZINC000453997109 822421787 /nfs/dbraw/zinc/42/17/87/822421787.db2.gz VOZYXGXSLPZAFP-QGZVFWFLSA-N 1 0 392.286 4.120 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)Nc2cccc(-c3n[nH]c(C)n3)c2)CC1 ZINC000183082965 822422497 /nfs/dbraw/zinc/42/24/97/822422497.db2.gz OHSYKIKTSJHASO-UHFFFAOYSA-N 1 0 398.555 4.146 20 0 GIADRO Cc1cccn2cc(COc3ccc(C[NH2+]CCCc4ccccn4)cc3)nc12 ZINC000178935860 822422960 /nfs/dbraw/zinc/42/29/60/822422960.db2.gz OAQHZFWDTSMZGT-UHFFFAOYSA-N 1 0 386.499 4.339 20 0 GIADRO CC(=O)OC1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000178975474 822425657 /nfs/dbraw/zinc/42/56/57/822425657.db2.gz QIJSGTUPCVYGKT-UHFFFAOYSA-N 1 0 375.472 4.067 20 0 GIADRO Cc1csc(C2([NH2+]C[C@@H](O)CO[C@@H]3CCCc4ccccc43)CCCC2)n1 ZINC000178990333 822426819 /nfs/dbraw/zinc/42/68/19/822426819.db2.gz JSAPLRLRYPKNRJ-UYAOXDASSA-N 1 0 386.561 4.266 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)CC1CCC(C(F)(F)F)CC1 ZINC000183121965 822427351 /nfs/dbraw/zinc/42/73/51/822427351.db2.gz JLVNQOHGWCHTGW-LOTPSLMQSA-N 1 0 397.485 4.167 20 0 GIADRO COc1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)ccc1OCc1ccncc1 ZINC000179002042 822428328 /nfs/dbraw/zinc/42/83/28/822428328.db2.gz DXVISAAFQPSIID-PMOQBDJRSA-N 1 0 394.515 4.107 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CCC[C@H]1c1ccsc1 ZINC000045975922 822428354 /nfs/dbraw/zinc/42/83/54/822428354.db2.gz WROVUVHUNSKXBU-FQEVSTJZSA-N 1 0 384.549 4.177 20 0 GIADRO Cc1ccc(C[NH2+]C2CCN(C(=O)c3ccccc3)CC2)c(Br)c1 ZINC000179007720 822429233 /nfs/dbraw/zinc/42/92/33/822429233.db2.gz DUGXWOXLEWWJCP-UHFFFAOYSA-N 1 0 387.321 4.152 20 0 GIADRO O=C1O[C@@H](C[NH+]2CCC(Oc3ccccc3Cl)CC2)CN1c1ccccc1 ZINC000179008700 822429420 /nfs/dbraw/zinc/42/94/20/822429420.db2.gz CURWFGSSWXJRAF-SFHVURJKSA-N 1 0 386.879 4.209 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)c2ccc(C)cc2Br)[NH+]2CCCC2)o1 ZINC000179031231 822431595 /nfs/dbraw/zinc/43/15/95/822431595.db2.gz PRSXKJGWTVKASW-QGZVFWFLSA-N 1 0 391.309 4.226 20 0 GIADRO Cc1nccn1-c1ccc([C@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000183150133 822431684 /nfs/dbraw/zinc/43/16/84/822431684.db2.gz FCALXBWBERGXRI-HNNXBMFYSA-N 1 0 382.895 4.432 20 0 GIADRO COc1cc(C[NH2+]Cc2cccc(N(C)C)n2)ccc1OCc1ccc(F)cc1 ZINC000179032994 822431827 /nfs/dbraw/zinc/43/18/27/822431827.db2.gz HYUGZPWYGUABKH-UHFFFAOYSA-N 1 0 395.478 4.164 20 0 GIADRO C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000454130092 822431899 /nfs/dbraw/zinc/43/18/99/822431899.db2.gz AUWOEVFDWADKFP-NVXWUHKLSA-N 1 0 383.458 4.023 20 0 GIADRO O=C(NCc1ccnc(Oc2ccccc2)c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000045996794 822432170 /nfs/dbraw/zinc/43/21/70/822432170.db2.gz OJNPHPYFBBXMNO-UHFFFAOYSA-N 1 0 394.519 4.034 20 0 GIADRO COC[C@@H]([NH2+]CCc1coc(-c2ccc(F)cc2)n1)c1ccc(F)c(F)c1 ZINC000183155675 822432667 /nfs/dbraw/zinc/43/26/67/822432667.db2.gz SLPOCFUKHNYRHB-LJQANCHMSA-N 1 0 376.378 4.279 20 0 GIADRO CCc1cccc(C)c1NC(=O)C[NH2+][C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000183157811 822433099 /nfs/dbraw/zinc/43/30/99/822433099.db2.gz XNAIHJPPHJOBHM-QGZVFWFLSA-N 1 0 376.504 4.341 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000454143511 822433100 /nfs/dbraw/zinc/43/31/00/822433100.db2.gz STJICZUJFDYFJL-OAQYLSRUSA-N 1 0 379.504 4.181 20 0 GIADRO CN1CC[C@H]([NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)[C@@H]1c1ccccc1 ZINC000179045682 822433172 /nfs/dbraw/zinc/43/31/72/822433172.db2.gz HLSINKHCAYWYAD-RXVVDRJESA-N 1 0 393.512 4.074 20 0 GIADRO C[C@H]1CCC[N@H+](CCCCNC(=O)Nc2cccc(OCC(F)(F)F)c2)C1 ZINC000046008502 822433998 /nfs/dbraw/zinc/43/39/98/822433998.db2.gz IGNKKTVNJWSMOI-HNNXBMFYSA-N 1 0 387.446 4.261 20 0 GIADRO C[S@@](=O)C[C@@H]([NH2+]CCCc1ccccc1Br)c1ccccc1 ZINC000183166013 822434386 /nfs/dbraw/zinc/43/43/86/822434386.db2.gz ULJBPKNVEDRTAX-XMSQKQJNSA-N 1 0 380.351 4.091 20 0 GIADRO CN(C(=O)c1oc2ccccc2c1COc1ccccc1Cl)[C@@H]1CC[NH2+]C1 ZINC000179061417 822434467 /nfs/dbraw/zinc/43/44/67/822434467.db2.gz HWRCTKAVZQHORJ-CQSZACIVSA-N 1 0 384.863 4.099 20 0 GIADRO CC1(C)CN(C(=O)Nc2nccs2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000454176754 822436091 /nfs/dbraw/zinc/43/60/91/822436091.db2.gz XWLUXUVIRQQMET-GOSISDBHSA-N 1 0 384.549 4.298 20 0 GIADRO CCOc1ccc(-c2nc(C[N@H+](C)[C@H](CO)C(C)(C)C)cs2)cc1OC ZINC000179081606 822436387 /nfs/dbraw/zinc/43/63/87/822436387.db2.gz WXLULPBQYHSHMK-GOSISDBHSA-N 1 0 378.538 4.056 20 0 GIADRO Cc1noc(C)c1C[N@H+](C)C[C@@H](O)CO[C@H](c1ccccc1)c1ccc(C)cc1 ZINC000046060704 822438404 /nfs/dbraw/zinc/43/84/04/822438404.db2.gz VVHLBFROWYQSBH-ISKFKSNPSA-N 1 0 394.515 4.199 20 0 GIADRO CC[NH+]1CCN(CC(C)(C)NC(=O)Nc2ccccc2Oc2ccccc2)CC1 ZINC000454207683 822438814 /nfs/dbraw/zinc/43/88/14/822438814.db2.gz PNOPALBLFJANFA-UHFFFAOYSA-N 1 0 396.535 4.017 20 0 GIADRO COc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@H](c2ccccc2)C2CC2)c(OC)c1 ZINC000179107728 822438825 /nfs/dbraw/zinc/43/88/25/822438825.db2.gz JNUMOYIHZQBQRV-ZJSXRUAMSA-N 1 0 394.515 4.108 20 0 GIADRO CCOc1ccc([C@H](C)NC(=O)C[NH2+][C@H](c2ccccc2)C2CC2)cc1OC ZINC000179108733 822439197 /nfs/dbraw/zinc/43/91/97/822439197.db2.gz OILKZVDPKFULKM-QMHKHESXSA-N 1 0 382.504 4.012 20 0 GIADRO Cc1cccc(C(=O)Nc2ccc(C(=O)N(C)[C@H]3CCC[N@H+](C)C3)cc2)c1Cl ZINC000179118846 822440139 /nfs/dbraw/zinc/44/01/39/822440139.db2.gz KMIUTOAHSCWFLV-SFHVURJKSA-N 1 0 399.922 4.067 20 0 GIADRO C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC000179118305 822440174 /nfs/dbraw/zinc/44/01/74/822440174.db2.gz NNQIWZDRNIWQSB-HZPDHXFCSA-N 1 0 386.927 4.403 20 0 GIADRO O=C(c1nc2cc(Cl)ccc2s1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000454236005 822441897 /nfs/dbraw/zinc/44/18/97/822441897.db2.gz DQDNCTRQJCPKAU-IYBDPMFKSA-N 1 0 397.931 4.154 20 0 GIADRO CCNC(=O)C(C)(C)C[NH2+][C@@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000183210799 822442054 /nfs/dbraw/zinc/44/20/54/822442054.db2.gz SPVBXSLKDGXKBI-OAHLLOKOSA-N 1 0 375.513 4.079 20 0 GIADRO CCNC(=O)C(C)(C)C[NH2+][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000183222241 822443775 /nfs/dbraw/zinc/44/37/75/822443775.db2.gz NDWKRYBJAYLRGR-OAHLLOKOSA-N 1 0 375.513 4.079 20 0 GIADRO CC(C)Cn1cc(C[N@@H+]2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)cn1 ZINC000183228705 822444668 /nfs/dbraw/zinc/44/46/68/822444668.db2.gz FPXNHSKNRGPGJP-GOSISDBHSA-N 1 0 383.471 4.108 20 0 GIADRO CC(C)Cc1ccc(CCCC(=O)NC2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000179157330 822445429 /nfs/dbraw/zinc/44/54/29/822445429.db2.gz ULHMQYWTWUXXBQ-UHFFFAOYSA-N 1 0 393.575 4.384 20 0 GIADRO Cc1c(C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cnn1-c1ccccn1 ZINC000046156332 822445600 /nfs/dbraw/zinc/44/56/00/822445600.db2.gz HWSCMXMTWCNTBN-QGZVFWFLSA-N 1 0 389.503 4.060 20 0 GIADRO C[C@H]([NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1)c1cccc(F)c1F ZINC000183235173 822445778 /nfs/dbraw/zinc/44/57/78/822445778.db2.gz UWJFJGFUNMTPGK-AWEZNQCLSA-N 1 0 375.415 4.093 20 0 GIADRO CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000179160751 822445837 /nfs/dbraw/zinc/44/58/37/822445837.db2.gz CLTAWXWLAQATMT-AQKFKSFVSA-N 1 0 384.495 4.303 20 0 GIADRO COc1ccc(C[N@H+](C)C[C@@H](C)c2nccs2)cc1OCc1cccnc1 ZINC000183249131 822448341 /nfs/dbraw/zinc/44/83/41/822448341.db2.gz ZRWAJAUXRXHDMM-MRXNPFEDSA-N 1 0 383.517 4.361 20 0 GIADRO Cc1c(Br)cccc1C[NH+]1CCC(NC(=O)c2ccsc2)CC1 ZINC000179201260 822450042 /nfs/dbraw/zinc/45/00/42/822450042.db2.gz GTZSSDMTMLTFBI-UHFFFAOYSA-N 1 0 393.350 4.213 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCCN(Cc2ccccc2)C1)c1ncc(Br)s1 ZINC000179202951 822450290 /nfs/dbraw/zinc/45/02/90/822450290.db2.gz MOARWHXGMONISR-DZGCQCFKSA-N 1 0 380.355 4.221 20 0 GIADRO COC[C@@H]([NH2+]CCCc1nc(-c2ccncc2)cs1)c1ccc(F)c(F)c1 ZINC000183268693 822451033 /nfs/dbraw/zinc/45/10/33/822451033.db2.gz JHWLUZOHMRUBLE-GOSISDBHSA-N 1 0 389.471 4.393 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)NCc1cc(-c2ccccc2)no1)c1ccsc1 ZINC000046254988 822455801 /nfs/dbraw/zinc/45/58/01/822455801.db2.gz MLEXWRALXHSPDF-HXUWFJFHSA-N 1 0 398.532 4.285 20 0 GIADRO CC(C)C(=O)Nc1ccc(CNC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)cc1 ZINC000454311638 822456251 /nfs/dbraw/zinc/45/62/51/822456251.db2.gz DVQBQAZUGUHUPA-OAQYLSRUSA-N 1 0 394.519 4.152 20 0 GIADRO C[C@H]([NH2+]CCOc1c(Cl)cc(Br)cc1Cl)[C@H]1CCOC1 ZINC000183330555 822459805 /nfs/dbraw/zinc/45/98/05/822459805.db2.gz SILGDCMFJQTQPR-UWVGGRQHSA-N 1 0 383.113 4.149 20 0 GIADRO O=C(c1cnc2ccc(F)cc2c1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000179276885 822460035 /nfs/dbraw/zinc/46/00/35/822460035.db2.gz PNKSXYCDRVLMHB-UHFFFAOYSA-N 1 0 391.490 4.155 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)Cc1nc2ccccc2s1)[C@@H](C)c1ccccc1 ZINC000183343868 822461548 /nfs/dbraw/zinc/46/15/48/822461548.db2.gz KAMPFMWASGOKFL-ZACQAIPSSA-N 1 0 381.545 4.425 20 0 GIADRO CCC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCO[C@H](CC)C3)cc2Cl)CC1 ZINC000183356908 822463139 /nfs/dbraw/zinc/46/31/39/822463139.db2.gz JZFTUCJTZQKEFY-SJLPKXTDSA-N 1 0 393.959 4.016 20 0 GIADRO O[C@H](COCc1ccccc1F)C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000046344434 822463895 /nfs/dbraw/zinc/46/38/95/822463895.db2.gz FVCWKWVWOXAFBX-QFBILLFUSA-N 1 0 386.492 4.150 20 0 GIADRO OCC[C@@H](C[NH2+][C@@H]1CCc2c1c(Br)ccc2F)c1ccccc1 ZINC000179318802 822465520 /nfs/dbraw/zinc/46/55/20/822465520.db2.gz IEPCRFHJEXBMEY-KBXCAEBGSA-N 1 0 378.285 4.331 20 0 GIADRO Cc1nc2ccccc2n1CCC[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000183382317 822466418 /nfs/dbraw/zinc/46/64/18/822466418.db2.gz GHTCWVQDKOXWQF-SFHVURJKSA-N 1 0 386.540 4.114 20 0 GIADRO Cc1c([C@@H](C)[NH2+]CC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)cnn1C ZINC000183409593 822470120 /nfs/dbraw/zinc/47/01/20/822470120.db2.gz AHZMTQRXKVDPDZ-IIBYNOLFSA-N 1 0 382.552 4.040 20 0 GIADRO Cc1cccc(CSCC(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)c1 ZINC000046403620 822470402 /nfs/dbraw/zinc/47/04/02/822470402.db2.gz QIQAPKMNIYWYKF-UHFFFAOYSA-N 1 0 383.561 4.009 20 0 GIADRO C[N@@H+]1CCCN(c2ccc(NC(=O)c3ccc(-c4ccc(F)cc4)o3)cc2)CC1 ZINC000046403939 822470445 /nfs/dbraw/zinc/47/04/45/822470445.db2.gz UIPXCWPQGOANNI-UHFFFAOYSA-N 1 0 393.462 4.480 20 0 GIADRO CC[NH+]1CCN(CC(C)(C)NC(=O)Nc2ccc(C(C)C)cc2C(C)C)CC1 ZINC000454407936 822470667 /nfs/dbraw/zinc/47/06/67/822470667.db2.gz LACNBMBUKJACIA-UHFFFAOYSA-N 1 0 388.600 4.471 20 0 GIADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C3(c4cccc(F)c4)CCC3)cc2)CC1 ZINC000046404072 822470728 /nfs/dbraw/zinc/47/07/28/822470728.db2.gz WBDCOPBZWPFDNJ-UHFFFAOYSA-N 1 0 381.495 4.028 20 0 GIADRO Cc1nc2cc(F)ccc2cc1C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000046404581 822470860 /nfs/dbraw/zinc/47/08/60/822470860.db2.gz PIWVRGFUNJVDLX-UHFFFAOYSA-N 1 0 392.478 4.077 20 0 GIADRO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1OCC(=O)NCC1CC1)CCC2 ZINC000179361777 822471329 /nfs/dbraw/zinc/47/13/29/822471329.db2.gz KRJDKUQGAQYZQG-QFIPXVFZSA-N 1 0 378.516 4.067 20 0 GIADRO O=C(Nc1ccc(N2CCCCCCC2)c(F)c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000183422045 822472224 /nfs/dbraw/zinc/47/22/24/822472224.db2.gz KSTOKBBYKUECTE-IBGZPJMESA-N 1 0 388.531 4.298 20 0 GIADRO CCCC(=O)Nc1ccc(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000183423747 822472682 /nfs/dbraw/zinc/47/26/82/822472682.db2.gz ALHKRHXOHDHBIQ-GOSISDBHSA-N 1 0 389.540 4.304 20 0 GIADRO COC(=O)COc1ccccc1[C@H](C)[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000183441093 822475385 /nfs/dbraw/zinc/47/53/85/822475385.db2.gz PGFDODDGNRFCJC-SUMWQHHRSA-N 1 0 375.465 4.265 20 0 GIADRO C[C@@H](NC(=O)Nc1cccc(COCC2CC2)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183441550 822475610 /nfs/dbraw/zinc/47/56/10/822475610.db2.gz FWCBPJFWOOQKBU-XLIONFOSSA-N 1 0 385.552 4.388 20 0 GIADRO CC(C)c1nccn1Cc1cccc(NC(=O)NCC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000183441979 822475629 /nfs/dbraw/zinc/47/56/29/822475629.db2.gz IMNGGECRGRZWSR-LJQANCHMSA-N 1 0 397.567 4.441 20 0 GIADRO CC(C)c1nccn1Cc1cccc(NC(=O)NCC[C@H](C)[NH+]2CCCCC2)c1 ZINC000183441997 822475640 /nfs/dbraw/zinc/47/56/40/822475640.db2.gz IMNGGECRGRZWSR-IBGZPJMESA-N 1 0 397.567 4.441 20 0 GIADRO CCCn1nc(C)c(C[NH2+][C@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)c1C ZINC000183457821 822477917 /nfs/dbraw/zinc/47/79/17/822477917.db2.gz SQZNRPGYTZKMFE-QGZVFWFLSA-N 1 0 397.567 4.017 20 0 GIADRO CC(C)CCn1ccc(NC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000179405619 822478196 /nfs/dbraw/zinc/47/81/96/822478196.db2.gz VTBNFODRDNBGHB-UHFFFAOYSA-N 1 0 398.555 4.095 20 0 GIADRO Cc1cc2ncc([C@H](C)[NH2+]CCc3ccc(F)c(Br)c3)c(C)n2n1 ZINC000179414123 822479247 /nfs/dbraw/zinc/47/92/47/822479247.db2.gz BXEMQZQFTJBMFH-LBPRGKRZSA-N 1 0 391.288 4.141 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)cc1 ZINC000046507482 822479281 /nfs/dbraw/zinc/47/92/81/822479281.db2.gz MRLXGVRGXXBYGB-JOCHJYFZSA-N 1 0 382.504 4.339 20 0 GIADRO CC[C@H]1C[N@H+](CC)CCN1C(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1C ZINC000454461835 822479321 /nfs/dbraw/zinc/47/93/21/822479321.db2.gz SQMZCUDOYPUPOA-FQEVSTJZSA-N 1 0 394.519 4.195 20 0 GIADRO Cc1cc(C)n(-c2ccc(C[NH2+]Cc3cccc4nccn43)c(C(F)(F)F)c2)n1 ZINC000179420518 822479919 /nfs/dbraw/zinc/47/99/19/822479919.db2.gz RIZKMMDTCNKMNM-UHFFFAOYSA-N 1 0 399.420 4.445 20 0 GIADRO CNC(=O)c1ccc(C[N@H+](Cc2cc(Cl)cc3cccnc32)C2CC2)cc1 ZINC000046511325 822479996 /nfs/dbraw/zinc/47/99/96/822479996.db2.gz ZSEGEAJSRPNHLR-UHFFFAOYSA-N 1 0 379.891 4.412 20 0 GIADRO Cc1cc2ncc([C@@H](C)NC3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)c(C)n2n1 ZINC000179428126 822481147 /nfs/dbraw/zinc/48/11/47/822481147.db2.gz NQKGKXJWFYBHQX-AMZGXZFVSA-N 1 0 389.547 4.192 20 0 GIADRO CCC[C@@H]([NH2+][C@H](C)c1ccccc1O)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000183480503 822482604 /nfs/dbraw/zinc/48/26/04/822482604.db2.gz PHAWLFDPUFOPKD-DYESRHJHSA-N 1 0 381.520 4.450 20 0 GIADRO CC[C@H](C)[NH+]1CCN(C(=O)Nc2cc(NC(=O)c3ccccc3)ccc2C)CC1 ZINC000454487963 822483329 /nfs/dbraw/zinc/48/33/29/822483329.db2.gz KKDALXZNRQOLHU-SFHVURJKSA-N 1 0 394.519 4.195 20 0 GIADRO CC(=O)Nc1cc(NC(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)ccc1C ZINC000454489067 822483541 /nfs/dbraw/zinc/48/35/41/822483541.db2.gz LCKPYTUBUWDEKD-UHFFFAOYSA-N 1 0 394.519 4.130 20 0 GIADRO COc1cc(F)c([C@@H](C)[NH2+]CCCc2nc(-c3ccccc3)no2)cc1OC ZINC000183486358 822483785 /nfs/dbraw/zinc/48/37/85/822483785.db2.gz YONIHTOPPYACKL-CQSZACIVSA-N 1 0 385.439 4.176 20 0 GIADRO C[C@@H](NC(=O)Nc1cc(Cl)ccc1N(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183486743 822483998 /nfs/dbraw/zinc/48/39/98/822483998.db2.gz WYVABGMJPVOZNZ-CABCVRRESA-N 1 0 378.948 4.181 20 0 GIADRO Cc1cnn(-c2ccc(NC(=O)N[C@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)cc2F)c1 ZINC000183488106 822484212 /nfs/dbraw/zinc/48/42/12/822484212.db2.gz AADUNJWUTDHRRI-IAGOWNOFSA-N 1 0 399.514 4.094 20 0 GIADRO Cc1cnc([C@@H](C)CNC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)s1 ZINC000183493659 822485271 /nfs/dbraw/zinc/48/52/71/822485271.db2.gz DPNSEWGOTHNJBZ-DOTOQJQBSA-N 1 0 386.565 4.080 20 0 GIADRO COc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3C[C@H]3c3cccc(Cl)c3)CC2)cc1 ZINC000454498212 822485311 /nfs/dbraw/zinc/48/53/11/822485311.db2.gz SWAZFJXHIKKNLG-FCHUYYIVSA-N 1 0 398.934 4.187 20 0 GIADRO CO[C@@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)CC1(C)C ZINC000454503560 822486252 /nfs/dbraw/zinc/48/62/52/822486252.db2.gz FOLILSFAGYURQJ-OAQYLSRUSA-N 1 0 387.568 4.019 20 0 GIADRO COc1cc(F)c([C@@H](C)[NH2+]Cc2ccc(C(=O)OC(C)C)cc2)cc1OC ZINC000183499476 822486463 /nfs/dbraw/zinc/48/64/63/822486463.db2.gz OPYPKGIKXWSLCA-CQSZACIVSA-N 1 0 375.440 4.259 20 0 GIADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cnc3ccc(F)cc3c2)CC1 ZINC000179465387 822486586 /nfs/dbraw/zinc/48/65/86/822486586.db2.gz DCGDKZQUNPOTQL-INIZCTEOSA-N 1 0 377.463 4.329 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)NC[C@@H](C)c1ncc(C)s1 ZINC000183501884 822486680 /nfs/dbraw/zinc/48/66/80/822486680.db2.gz RRQIITGTWMEKAF-OAHLLOKOSA-N 1 0 390.553 4.097 20 0 GIADRO CCc1nn(C)c(OC)c1C[NH2+][C@H]1C[C@H](C)c2c1cccc2Br ZINC000179466681 822486829 /nfs/dbraw/zinc/48/68/29/822486829.db2.gz GBIUPZHPCIXECC-ZBEGNZNMSA-N 1 0 378.314 4.092 20 0 GIADRO CCc1nnc(-c2ccc(NC(=O)N[C@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)cc2)o1 ZINC000183503796 822487199 /nfs/dbraw/zinc/48/71/99/822487199.db2.gz ISIDSHAXBJJHBB-WBVHZDCISA-N 1 0 397.523 4.074 20 0 GIADRO O=C(Nc1ccon1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000183507826 822487618 /nfs/dbraw/zinc/48/76/18/822487618.db2.gz FKGYDTPCWMUTKY-UHFFFAOYSA-N 1 0 383.279 4.111 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)cc2)s1 ZINC000183511008 822487865 /nfs/dbraw/zinc/48/78/65/822487865.db2.gz IJAHLFMOWOZGOH-PZPSRYQVSA-N 1 0 380.941 4.475 20 0 GIADRO CC[C@@H]([NH2+]C[C@@H](C)c1nc(-c2ccccc2)no1)c1ccc2c(c1)OCCO2 ZINC000179478500 822488291 /nfs/dbraw/zinc/48/82/91/822488291.db2.gz KHXQLFKEBCSXFA-CRAIPNDOSA-N 1 0 379.460 4.352 20 0 GIADRO C[C@@H](C[NH2+][C@@H](C)c1ncc(Br)s1)c1nc(-c2ccccc2)no1 ZINC000179478925 822488496 /nfs/dbraw/zinc/48/84/96/822488496.db2.gz DRQUKQFTPFBTJP-QWRGUYRKSA-N 1 0 393.310 4.410 20 0 GIADRO 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 822489122 /nfs/dbraw/zinc/48/91/22/822489122.db2.gz BYGXSRIFBJOLBY-CXAGYDPISA-N 1 0 383.483 4.336 20 0 GIADRO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2Br)[C@@H]1c1ccccc1 ZINC000179483932 822489592 /nfs/dbraw/zinc/48/95/92/822489592.db2.gz ZZKKNNRQMPDRFV-SJORKVTESA-N 1 0 392.272 4.155 20 0 GIADRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]Cc2nc(C(F)(F)F)cs2)CC1 ZINC000183524807 822489791 /nfs/dbraw/zinc/48/97/91/822489791.db2.gz YVNNXYXSEPNVQT-LLVKDONJSA-N 1 0 379.448 4.041 20 0 GIADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@@H](C)c2cccc(C3CC3)c2)[C@@H](C)C1 ZINC000454520790 822490603 /nfs/dbraw/zinc/49/06/03/822490603.db2.gz PLVXIDBHSPYURQ-SPEDKVCISA-N 1 0 387.568 4.061 20 0 GIADRO Cc1csc([C@@H]([NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)C2CC2)n1 ZINC000183530815 822490737 /nfs/dbraw/zinc/49/07/37/822490737.db2.gz YTJXOHKAHYBQTF-WFASDCNBSA-N 1 0 387.332 4.239 20 0 GIADRO C[C@H]([NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1Br ZINC000179495505 822490877 /nfs/dbraw/zinc/49/08/77/822490877.db2.gz IHPDPRFYUIYWIF-RDJZCZTQSA-N 1 0 387.321 4.148 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2F)C1)c1ncc(Br)s1 ZINC000179500378 822492100 /nfs/dbraw/zinc/49/21/00/822492100.db2.gz UAOGNYPHLLDJCY-NWDGAFQWSA-N 1 0 384.318 4.364 20 0 GIADRO Cc1csc([C@@H]([NH2+]CCCCCn2nnc(-c3ccccc3)n2)C2CC2)n1 ZINC000183542407 822492432 /nfs/dbraw/zinc/49/24/32/822492432.db2.gz YRRRIPKWOOOPLY-SFHVURJKSA-N 1 0 382.537 4.016 20 0 GIADRO COc1ccc(CNC(=O)[C@@H](C)[NH2+][C@@H](C)c2oc3ccccc3c2C)cc1OC ZINC000183545383 822492844 /nfs/dbraw/zinc/49/28/44/822492844.db2.gz HLZSFMMPIRTJMD-JKSUJKDBSA-N 1 0 396.487 4.114 20 0 GIADRO C[C@@H](NCc1ccnc(OCC[NH+](C)C)c1)c1cc(F)c(Cl)cc1Cl ZINC000179509699 822493354 /nfs/dbraw/zinc/49/33/54/822493354.db2.gz FTKGYXMGWKTYIY-GFCCVEGCSA-N 1 0 386.298 4.319 20 0 GIADRO COc1ccc([C@H](C)[NH2+]C[C@@H](C)COc2ccccc2OC)cc1NC(C)=O ZINC000179512700 822493945 /nfs/dbraw/zinc/49/39/45/822493945.db2.gz YMDAVBUSHBPEPJ-CVEARBPZSA-N 1 0 386.492 4.028 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)Cn1ncc2ccccc2c1=O)c1cc(Cl)ccc1Cl ZINC000179517395 822495228 /nfs/dbraw/zinc/49/52/28/822495228.db2.gz RRGSYYOFISCPNU-QWHCGFSZSA-N 1 0 376.287 4.443 20 0 GIADRO C[NH+](C)CCN(C(=O)c1csc(Cc2cccc(F)c2)n1)c1ccccc1 ZINC000183563987 822495389 /nfs/dbraw/zinc/49/53/89/822495389.db2.gz YNNNGWUIXUYMDU-UHFFFAOYSA-N 1 0 383.492 4.081 20 0 GIADRO COc1ccc2cc([C@H](C)[NH2+][C@@H](C)Cn3ncc4ccccc4c3=O)ccc2c1 ZINC000179517895 822495548 /nfs/dbraw/zinc/49/55/48/822495548.db2.gz PCBMWZIHPAVGHL-IRXDYDNUSA-N 1 0 387.483 4.298 20 0 GIADRO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000179518057 822495551 /nfs/dbraw/zinc/49/55/51/822495551.db2.gz BLJYYUKQDHPRNJ-ACJLOTCBSA-N 1 0 385.920 4.265 20 0 GIADRO C[C@@H]([NH2+]C1CCN(Cc2ccc(Br)cc2)CC1)c1ccccc1O ZINC000183565882 822495568 /nfs/dbraw/zinc/49/55/68/822495568.db2.gz PVRRGKJLXFOWCS-OAHLLOKOSA-N 1 0 389.337 4.470 20 0 GIADRO C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000179518069 822495610 /nfs/dbraw/zinc/49/56/10/822495610.db2.gz JIDBOCFCLSHCGR-KBPBESRZSA-N 1 0 375.394 4.155 20 0 GIADRO Cc1nc2c(s1)[C@H]([NH2+][C@@H]1CCN(c3ccc(Cl)c(F)c3)C1=O)CCC2 ZINC000179520254 822495909 /nfs/dbraw/zinc/49/59/09/822495909.db2.gz OZHIRPAWVLQQRS-HZPDHXFCSA-N 1 0 379.888 4.017 20 0 GIADRO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)c1 ZINC000179524544 822496696 /nfs/dbraw/zinc/49/66/96/822496696.db2.gz TYIWZKLXHLYZRN-CXAGYDPISA-N 1 0 375.875 4.367 20 0 GIADRO Cc1cc2ncc([C@@H](C)[NH2+][C@H]3CCN(c4ccc(Cl)c(F)c4)C3)c(C)n2n1 ZINC000179525179 822496911 /nfs/dbraw/zinc/49/69/11/822496911.db2.gz PVWXAFAPQYSQKB-HIFRSBDPSA-N 1 0 387.890 4.068 20 0 GIADRO CC(C)Oc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccnn2Cc2cccs2)cc1 ZINC000179524834 822496928 /nfs/dbraw/zinc/49/69/28/822496928.db2.gz LOVBYJMLJMZVBC-INIZCTEOSA-N 1 0 398.532 4.069 20 0 GIADRO CC(C)Oc1ccc([C@@H](C)[NH2+]CC(=O)NCCc2nc3ccccc3s2)cc1 ZINC000179527367 822497263 /nfs/dbraw/zinc/49/72/63/822497263.db2.gz HMVDTZVJSAPFBC-MRXNPFEDSA-N 1 0 397.544 4.093 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(C(=O)N2CCCCC2)c1)c1cccc(-n2cccn2)c1 ZINC000183586975 822497939 /nfs/dbraw/zinc/49/79/39/822497939.db2.gz ZRXXDKHCGXEGNU-IBGZPJMESA-N 1 0 388.515 4.349 20 0 GIADRO Cc1c2ccccc2oc1[C@@H](C)[NH2+]CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000183589266 822498247 /nfs/dbraw/zinc/49/82/47/822498247.db2.gz XYKWODUODMJKKS-MRXNPFEDSA-N 1 0 387.501 4.264 20 0 GIADRO CC(=O)Nc1cccc2c1CC[N@H+](Cc1c[nH]nc1-c1cccc(Cl)c1)C2 ZINC000179531301 822498280 /nfs/dbraw/zinc/49/82/80/822498280.db2.gz YLORFASKPRPORW-UHFFFAOYSA-N 1 0 380.879 4.247 20 0 GIADRO Cc1cc2cc(C(=O)N3CCC(CC[NH+](C)C)CC3)oc2c(Br)c1 ZINC000183594653 822498957 /nfs/dbraw/zinc/49/89/57/822498957.db2.gz QNPDGSIYOXGXPL-UHFFFAOYSA-N 1 0 393.325 4.308 20 0 GIADRO CC[C@H](CSC)N(C)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000179535972 822499259 /nfs/dbraw/zinc/49/92/59/822499259.db2.gz ZLPYNZVKTXAITO-GOSISDBHSA-N 1 0 383.989 4.087 20 0 GIADRO COc1cc(Cl)c(C)cc1NC(=O)C[NH2+][C@@H](C)c1cccc(-n2cccn2)c1 ZINC000183600798 822499750 /nfs/dbraw/zinc/49/97/50/822499750.db2.gz BVEUVQUPKSAGJW-HNNXBMFYSA-N 1 0 398.894 4.132 20 0 GIADRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2oc3ccccc3c2C)cc1OC ZINC000183607254 822500387 /nfs/dbraw/zinc/50/03/87/822500387.db2.gz HDJYHFFBHYXMFK-HUUCEWRRSA-N 1 0 382.460 4.436 20 0 GIADRO Cc1c2ccccc2oc1[C@@H](C)[NH2+]CC(=O)Nc1ccccc1N1CCCC1=O ZINC000183611524 822501249 /nfs/dbraw/zinc/50/12/49/822501249.db2.gz BQRWVMLGTXHOTJ-MRXNPFEDSA-N 1 0 391.471 4.157 20 0 GIADRO O=C(Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1)c1cccs1 ZINC000046667984 822501223 /nfs/dbraw/zinc/50/12/23/822501223.db2.gz QNTBFHGZXXHVPR-UHFFFAOYSA-N 1 0 391.540 4.318 20 0 GIADRO CCc1nc(C)c([C@H](C)[NH2+][C@@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)s1 ZINC000179554629 822502563 /nfs/dbraw/zinc/50/25/63/822502563.db2.gz WEWWTTCVAYEBOQ-FNHZYXHNSA-N 1 0 393.984 4.390 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)ccc1F ZINC000179554952 822502593 /nfs/dbraw/zinc/50/25/93/822502593.db2.gz PLVURPRSYVLKPG-SZFUDVHCSA-N 1 0 392.902 4.210 20 0 GIADRO CC(=O)c1c(C)cc(C)c(C[NH2+][C@@H](CN2CCCC2=O)c2ccccc2)c1C ZINC000179555631 822502788 /nfs/dbraw/zinc/50/27/88/822502788.db2.gz XQOVVECHBCNRJV-QFIPXVFZSA-N 1 0 378.516 4.268 20 0 GIADRO CCOCCOCc1cccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000046685224 822504898 /nfs/dbraw/zinc/50/48/98/822504898.db2.gz YZZRHYIYQWZBTP-UHFFFAOYSA-N 1 0 396.531 4.478 20 0 GIADRO CC[NH+]1CCN(CC(C)(C)NC(=O)Nc2cccc(Oc3ccccc3)c2)CC1 ZINC000454611618 822506006 /nfs/dbraw/zinc/50/60/06/822506006.db2.gz JSTJNRGATSNPFZ-UHFFFAOYSA-N 1 0 396.535 4.017 20 0 GIADRO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC000183652498 822506268 /nfs/dbraw/zinc/50/62/68/822506268.db2.gz VYLFWJJPQKMUQB-GOSISDBHSA-N 1 0 398.507 4.286 20 0 GIADRO C[C@H](CCNC(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1)[NH+]1CCCCC1 ZINC000183663991 822507877 /nfs/dbraw/zinc/50/78/77/822507877.db2.gz RJLGRFZACHQYNT-MRXNPFEDSA-N 1 0 390.528 4.420 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1)c1ccsc1 ZINC000454621322 822507930 /nfs/dbraw/zinc/50/79/30/822507930.db2.gz RRZZCVHYCCATRX-GVDBMIGSSA-N 1 0 393.350 4.033 20 0 GIADRO C[C@@H]([NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1)c1ccc(-n2cnnn2)cc1 ZINC000179589019 822508002 /nfs/dbraw/zinc/50/80/02/822508002.db2.gz ZRLVHBMTBUFPON-PXAZEXFGSA-N 1 0 379.361 4.146 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@@H](C(F)(F)F)C[C@@H]1C ZINC000454630338 822509308 /nfs/dbraw/zinc/50/93/08/822509308.db2.gz YNYDJVQKHCRWBW-JFRXWTBNSA-N 1 0 397.485 4.269 20 0 GIADRO COCOc1ccc(OC)cc1C[NH2+]C1(c2ccc(Br)cc2)CC1 ZINC000179595330 822509327 /nfs/dbraw/zinc/50/93/27/822509327.db2.gz MXEVTEQIIYLSHX-UHFFFAOYSA-N 1 0 392.293 4.219 20 0 GIADRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](O)COCc2ccccc2Cl)cc1 ZINC000183674349 822509423 /nfs/dbraw/zinc/50/94/23/822509423.db2.gz YIXABKJHKBSKEN-IIBYNOLFSA-N 1 0 399.922 4.062 20 0 GIADRO CC[C@@H]([NH2+][C@@H](C)c1ccc(-n2ccnc2C)cc1)C(=O)Nc1ccc(OC)cc1 ZINC000183679871 822510297 /nfs/dbraw/zinc/51/02/97/822510297.db2.gz ZLMBAUKBHKLISL-KSFYIVLOSA-N 1 0 392.503 4.257 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(N2CCCC2)cc1)c1ccc(OC(F)F)cc1 ZINC000179600588 822510524 /nfs/dbraw/zinc/51/05/24/822510524.db2.gz UTLSBDKZYIIEPY-OAHLLOKOSA-N 1 0 389.446 4.178 20 0 GIADRO Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000183687419 822511302 /nfs/dbraw/zinc/51/13/02/822511302.db2.gz UAQIODXALUQDQU-QGZVFWFLSA-N 1 0 388.556 4.366 20 0 GIADRO CC1CC[NH+](CCCCNC(=O)Nc2cccc(OCc3cccnc3)c2)CC1 ZINC000046736347 822511372 /nfs/dbraw/zinc/51/13/72/822511372.db2.gz BWZJKTOEDSVDRJ-UHFFFAOYSA-N 1 0 396.535 4.294 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)C(C)(C)c1ccc(Br)cc1)c1cccs1 ZINC000046738183 822511603 /nfs/dbraw/zinc/51/16/03/822511603.db2.gz YVAXJNQKWGKNNB-OAHLLOKOSA-N 1 0 395.366 4.207 20 0 GIADRO COc1ccc(NC(=O)C[NH2+][C@@H](c2ccccc2Cl)C(C)C)c(OC)c1 ZINC000183690761 822512052 /nfs/dbraw/zinc/51/20/52/822512052.db2.gz GXOXERFMXUKBOX-HXUWFJFHSA-N 1 0 376.884 4.283 20 0 GIADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(OC(F)F)cc1)c1ccc(OC(F)F)cc1 ZINC000179611645 822512626 /nfs/dbraw/zinc/51/26/26/822512626.db2.gz HTPDTPXXWQKKOT-LLVKDONJSA-N 1 0 386.345 4.179 20 0 GIADRO CC(=O)c1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000179616451 822513480 /nfs/dbraw/zinc/51/34/80/822513480.db2.gz GAGPJDIOWAEOMI-STQMWFEESA-N 1 0 376.403 4.168 20 0 GIADRO COc1ccc(C[N@H+](C)Cc2cccc(OCc3ccccn3)c2)c(OC)c1 ZINC000179618036 822513792 /nfs/dbraw/zinc/51/37/92/822513792.db2.gz XUEYWLVORBOWNM-UHFFFAOYSA-N 1 0 378.472 4.310 20 0 GIADRO COC(=O)COc1ccccc1[C@H](C)[NH2+][C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000183706906 822514729 /nfs/dbraw/zinc/51/47/29/822514729.db2.gz PUGTXTYOZXFJTD-SJORKVTESA-N 1 0 393.487 4.144 20 0 GIADRO CCCC(=O)Nc1ccc(Cl)c(NC(=O)NCCC[NH+]2CCCCC2)c1 ZINC000179626331 822515236 /nfs/dbraw/zinc/51/52/36/822515236.db2.gz WLHNCKWUBAYDJM-UHFFFAOYSA-N 1 0 380.920 4.076 20 0 GIADRO Cc1cc(Sc2ncccn2)ccc1NC(=O)NCCCCC[NH+]1CCCC1 ZINC000454686130 822517094 /nfs/dbraw/zinc/51/70/94/822517094.db2.gz ZXRFOSXLUYQFPF-UHFFFAOYSA-N 1 0 399.564 4.324 20 0 GIADRO C[C@@H](c1cccnc1)[N@H+](C)Cc1cc(Br)c2c(c1)OCCCO2 ZINC000183726997 822517482 /nfs/dbraw/zinc/51/74/82/822517482.db2.gz YQSXNBUPWICPBQ-ZDUSSCGKSA-N 1 0 377.282 4.198 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(N2CCOC2=O)cc1)c1cccc(OC(F)(F)F)c1 ZINC000183734191 822518677 /nfs/dbraw/zinc/51/86/77/822518677.db2.gz MHMIKHJJYYKXLO-ZDUSSCGKSA-N 1 0 380.366 4.393 20 0 GIADRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CC(=O)NCc1ccccc1F ZINC000183741896 822520408 /nfs/dbraw/zinc/52/04/08/822520408.db2.gz BCQBPGAJRRTVRY-AWEZNQCLSA-N 1 0 383.492 4.225 20 0 GIADRO Cc1c(C[NH+]2CCSCC2)cccc1NCc1cncc(Br)c1 ZINC000183742420 822520645 /nfs/dbraw/zinc/52/06/45/822520645.db2.gz SRZCUPSYGYYXBY-UHFFFAOYSA-N 1 0 392.366 4.313 20 0 GIADRO CCCNC(=O)c1cccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000046817691 822520984 /nfs/dbraw/zinc/52/09/84/822520984.db2.gz STYYXMASMAYZDK-UHFFFAOYSA-N 1 0 379.504 4.065 20 0 GIADRO CC(C)c1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C(F)(F)F)cc2)no1 ZINC000179665078 822522969 /nfs/dbraw/zinc/52/29/69/822522969.db2.gz PMOWXABQZOAXJY-UHFFFAOYSA-N 1 0 383.414 4.021 20 0 GIADRO CC[C@@H]1CCCC[C@@H]1OCC(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000183757750 822523260 /nfs/dbraw/zinc/52/32/60/822523260.db2.gz YXIAMNLHJIJIFD-GCJKJVERSA-N 1 0 387.568 4.141 20 0 GIADRO Fc1cc([C@H]2OCC[C@H]2[NH2+]Cc2cncc(Br)c2)ccc1Cl ZINC000183761402 822523992 /nfs/dbraw/zinc/52/39/92/822523992.db2.gz BQABWGZVJHQOGJ-HZPDHXFCSA-N 1 0 385.664 4.256 20 0 GIADRO CC[C@H](c1nnc(NC(=O)NC(C)(C)CCC[NH+](C)C)s1)c1ccccc1 ZINC000454734736 822524915 /nfs/dbraw/zinc/52/49/15/822524915.db2.gz KRPHNACQSKNWCS-INIZCTEOSA-N 1 0 389.569 4.322 20 0 GIADRO CSc1ccc([C@H](CNC(=O)Nc2cc(F)c(F)cc2F)[NH+](C)C)cc1 ZINC000454738265 822525858 /nfs/dbraw/zinc/52/58/58/822525858.db2.gz LFDNGJWWLXKFGS-KRWDZBQOSA-N 1 0 383.439 4.250 20 0 GIADRO Cc1csc(CNC(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000454743363 822526711 /nfs/dbraw/zinc/52/67/11/822526711.db2.gz UNZMOQCYOHNULX-RDTXWAMCSA-N 1 0 395.931 4.341 20 0 GIADRO Cc1ccc(NCc2cccc3c2OC(C)(C)C3)cc1NC(=O)CC[NH+](C)C ZINC000183780522 822527610 /nfs/dbraw/zinc/52/76/10/822527610.db2.gz HRQKYUJOVJHPNO-UHFFFAOYSA-N 1 0 381.520 4.211 20 0 GIADRO COc1c(C)cnc(C[N@H+](C)Cc2ccc(OCc3ccncc3)cc2)c1C ZINC000183780456 822527663 /nfs/dbraw/zinc/52/76/63/822527663.db2.gz YZJCNSPEMYQXFC-UHFFFAOYSA-N 1 0 377.488 4.313 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)C[C@@H](O)c1ccc(Cl)cc1)c1ccsc1 ZINC000179687942 822527859 /nfs/dbraw/zinc/52/78/59/822527859.db2.gz BKMOAXOXNYOBNP-QZTJIDSGSA-N 1 0 380.941 4.024 20 0 GIADRO Cc1cc(Br)ccc1NC(=O)C[NH2+]C1(c2cccc(F)c2)CC1 ZINC000179691573 822528211 /nfs/dbraw/zinc/52/82/11/822528211.db2.gz CCEMPRSIWFXYRF-UHFFFAOYSA-N 1 0 377.257 4.114 20 0 GIADRO Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000183805338 822530074 /nfs/dbraw/zinc/53/00/74/822530074.db2.gz MBROKVVIQBUXMZ-VWLOTQADSA-N 1 0 387.527 4.220 20 0 GIADRO CC[NH+](CC)CCOc1ccccc1NC(=O)C[C@H](O)c1ccc(Cl)cc1 ZINC000179699432 822530225 /nfs/dbraw/zinc/53/02/25/822530225.db2.gz QBTCKTZAGCGHLW-IBGZPJMESA-N 1 0 390.911 4.123 20 0 GIADRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)Nc3cccc(Cl)c3)cc2)C[C@H](C)O1 ZINC000046918903 822530506 /nfs/dbraw/zinc/53/05/06/822530506.db2.gz HEWXJEORONBGAN-IYBDPMFKSA-N 1 0 387.911 4.271 20 0 GIADRO COc1cc([C@@H](C)[NH2+]C[C@@H](O)c2ccccc2F)ccc1OCc1ccncc1 ZINC000179703095 822531083 /nfs/dbraw/zinc/53/10/83/822531083.db2.gz BFYPEJXLLSMJAI-IIBYNOLFSA-N 1 0 396.462 4.193 20 0 GIADRO CC[C@H]([NH2+]CCC(=O)Nc1cc(N)ccc1F)c1ccccc1OC(F)F ZINC000179715659 822533624 /nfs/dbraw/zinc/53/36/24/822533624.db2.gz ZVMYGPDBLUDAHG-HNNXBMFYSA-N 1 0 381.398 4.079 20 0 GIADRO CC[C@@H]([NH2+][C@@H](C)C(=O)NCc1cccc(OC)c1)c1ccccc1OC(F)F ZINC000179718065 822534312 /nfs/dbraw/zinc/53/43/12/822534312.db2.gz PQJOZXIYMZPIQO-KBXCAEBGSA-N 1 0 392.446 4.042 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)C(=O)NCc1cccc(OC)c1)c1ccccc1OC(F)F ZINC000179718053 822534352 /nfs/dbraw/zinc/53/43/52/822534352.db2.gz PQJOZXIYMZPIQO-KSSFIOAISA-N 1 0 392.446 4.042 20 0 GIADRO CC[C@@H]([NH2+]CC(=O)Nc1cc(C)nn1C(C)(C)C)c1ccccc1OC(F)F ZINC000179723044 822535377 /nfs/dbraw/zinc/53/53/77/822535377.db2.gz ZUIUFGCMJRJBDO-OAHLLOKOSA-N 1 0 394.466 4.227 20 0 GIADRO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1cccnc1Cl)c1ccccc1OC(F)F ZINC000179723746 822535587 /nfs/dbraw/zinc/53/55/87/822535587.db2.gz IMOJSLWDJURISO-DGCLKSJQSA-N 1 0 383.826 4.404 20 0 GIADRO CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH+]1CCC(C)(O)CC1 ZINC000179726318 822535961 /nfs/dbraw/zinc/53/59/61/822535961.db2.gz SGMZNBBOHNOVSP-UHFFFAOYSA-N 1 0 392.341 4.105 20 0 GIADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)CCc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000046990466 822536101 /nfs/dbraw/zinc/53/61/01/822536101.db2.gz RRZCWPBVNYVKRM-QGZVFWFLSA-N 1 0 387.499 4.042 20 0 GIADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1oc2ccccc2c1COc1ccccc1 ZINC000046993978 822536311 /nfs/dbraw/zinc/53/63/11/822536311.db2.gz GDCRZMBHLQKBFP-NHCUHLMSSA-N 1 0 390.483 4.368 20 0 GIADRO C[C@@H](NC(=O)C[NH2+][C@@H](CCCO)c1ccccc1)c1cccc2ccccc21 ZINC000179730257 822537079 /nfs/dbraw/zinc/53/70/79/822537079.db2.gz HGXHTJIOFOSWES-JPYJTQIMSA-N 1 0 376.500 4.120 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCCC[C@H]1CCSS1 ZINC000047011668 822537635 /nfs/dbraw/zinc/53/76/35/822537635.db2.gz WSSOGFIUBVGZPQ-IBGZPJMESA-N 1 0 391.606 4.163 20 0 GIADRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)Cc2csc(-c3ccccc3)n2)C1 ZINC000047039663 822539060 /nfs/dbraw/zinc/53/90/60/822539060.db2.gz HCQWMDJMQVHLFR-ROUUACIJSA-N 1 0 385.577 4.227 20 0 GIADRO Cc1cc(C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c(C)n1CC(F)(F)F ZINC000047039261 822539180 /nfs/dbraw/zinc/53/91/80/822539180.db2.gz NUCDUWRBRKOBBO-GJZGRUSLSA-N 1 0 387.490 4.155 20 0 GIADRO CCOc1ccccc1[C@@H](CC)[NH2+]CC(=O)Nc1ccnn1Cc1cccs1 ZINC000179737917 822539470 /nfs/dbraw/zinc/53/94/70/822539470.db2.gz GFJWQKPKQDPPED-GOSISDBHSA-N 1 0 398.532 4.071 20 0 GIADRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)Nc1cccc(CSC2CCOCC2)c1 ZINC000454814596 822539593 /nfs/dbraw/zinc/53/95/93/822539593.db2.gz WDOXVMXJTZBYQC-LJQANCHMSA-N 1 0 391.581 4.047 20 0 GIADRO NC(=O)C1CC[NH+](Cc2cccc(N[C@H](c3ccco3)c3ccccc3)c2)CC1 ZINC000183886335 822540506 /nfs/dbraw/zinc/54/05/06/822540506.db2.gz FGQYFRJFPWWDOL-QHCPKHFHSA-N 1 0 389.499 4.178 20 0 GIADRO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000179742646 822540724 /nfs/dbraw/zinc/54/07/24/822540724.db2.gz XZDUSZMOEBSOFT-ZDUSSCGKSA-N 1 0 390.858 4.288 20 0 GIADRO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000179742571 822540737 /nfs/dbraw/zinc/54/07/37/822540737.db2.gz FOFPSHGKAKZNOT-IBGZPJMESA-N 1 0 397.519 4.007 20 0 GIADRO Cc1cc2oc(=O)cc(C[NH2+][C@@H](c3ccc4c(c3)OCCO4)C3CC3)c2cc1C ZINC000179742285 822540792 /nfs/dbraw/zinc/54/07/92/822540792.db2.gz YDGLTTHCARAOKS-XMMPIXPASA-N 1 0 391.467 4.422 20 0 GIADRO Cc1ccc([C@@H]2CCCCN2C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000179745472 822541597 /nfs/dbraw/zinc/54/15/97/822541597.db2.gz VEZQISZSOJZKPX-FQEVSTJZSA-N 1 0 382.508 4.136 20 0 GIADRO COc1ccc2cc(C[NH+]3CCC(C(=O)NCc4ccccc4)CC3)ccc2c1 ZINC000179748471 822542033 /nfs/dbraw/zinc/54/20/33/822542033.db2.gz VQZVLUKUJBSBAT-UHFFFAOYSA-N 1 0 388.511 4.377 20 0 GIADRO CCCc1c(C(=O)Nc2cccc(C[NH+](C)C)c2)cnn1Cc1ccccc1 ZINC000047091300 822543845 /nfs/dbraw/zinc/54/38/45/822543845.db2.gz SKRPZADHXRGHJC-UHFFFAOYSA-N 1 0 376.504 4.198 20 0 GIADRO Cc1ccc(NC(=O)Nc2cn(C)nc2C2CCCCC2)c(OCC[NH+](C)C)c1 ZINC000454842494 822544311 /nfs/dbraw/zinc/54/43/11/822544311.db2.gz RTHRICRDPVNPCR-UHFFFAOYSA-N 1 0 399.539 4.361 20 0 GIADRO CC[C@@H](Cc1ccccc1)N(CC)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179757824 822544446 /nfs/dbraw/zinc/54/44/46/822544446.db2.gz IAJOPLKPEHKSGW-QFIPXVFZSA-N 1 0 394.563 4.351 20 0 GIADRO C[C@H]1CN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC[C@H]1c1ccccc1 ZINC000179759273 822544910 /nfs/dbraw/zinc/54/49/10/822544910.db2.gz XIKDHLXMNJQBDM-WMZHIEFXSA-N 1 0 392.547 4.133 20 0 GIADRO CC(C)N(Cc1ccccc1)C(=O)C[NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000179760623 822545076 /nfs/dbraw/zinc/54/50/76/822545076.db2.gz AYCBGNXGDVSMBK-SFHVURJKSA-N 1 0 393.531 4.123 20 0 GIADRO COc1ccc(Oc2ccc(NC(=O)NC(C)(C)CCC[NH+](C)C)cn2)cc1 ZINC000454854342 822546377 /nfs/dbraw/zinc/54/63/77/822546377.db2.gz GVQNQEICTVBGGX-UHFFFAOYSA-N 1 0 386.496 4.124 20 0 GIADRO Cc1csc(SCc2ccccc2C(=O)NCC[N@H+]2CCCC[C@@H]2C)n1 ZINC000047143181 822548348 /nfs/dbraw/zinc/54/83/48/822548348.db2.gz SUENERIQWHYQQB-INIZCTEOSA-N 1 0 389.590 4.348 20 0 GIADRO Cc1nc(CSc2ccc(C(=O)NCC[N@H+]3CCC[C@H](C)C3)cc2)cs1 ZINC000047146066 822548370 /nfs/dbraw/zinc/54/83/70/822548370.db2.gz FHDLXFQJZYYRKJ-HNNXBMFYSA-N 1 0 389.590 4.206 20 0 GIADRO Cc1cccc(NC(=O)[C@@H](C)[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)c1C ZINC000179768326 822548494 /nfs/dbraw/zinc/54/84/94/822548494.db2.gz WCOWABWDPAHHGB-OPAMFIHVSA-N 1 0 380.488 4.143 20 0 GIADRO NC(=O)C1CC[NH+](Cc2cccc(N[C@@H]3CCc4cc(Cl)ccc43)c2)CC1 ZINC000179770997 822549151 /nfs/dbraw/zinc/54/91/51/822549151.db2.gz GZIYUBSOACEAHV-OAQYLSRUSA-N 1 0 383.923 4.137 20 0 GIADRO CC(C)c1cccc(NC(=O)C[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)c1 ZINC000179770406 822549251 /nfs/dbraw/zinc/54/92/51/822549251.db2.gz VKURNXMPRJEMJA-INIZCTEOSA-N 1 0 379.504 4.448 20 0 GIADRO O=C(NCc1ccccc1OCc1ccccc1)N1CCC([NH+]2CCCC2)CC1 ZINC000047161442 822549338 /nfs/dbraw/zinc/54/93/38/822549338.db2.gz RYIMSWGLFJWTEN-UHFFFAOYSA-N 1 0 393.531 4.035 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N1c2ccccc2CC[C@@H]1C)c1ccc(NC(=O)C2CC2)cc1 ZINC000179776173 822550656 /nfs/dbraw/zinc/55/06/56/822550656.db2.gz PPZRLXXMKOHGHB-DLBZAZTESA-N 1 0 391.515 4.054 20 0 GIADRO CCCOc1ccc(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)cc1OCC ZINC000179779045 822551234 /nfs/dbraw/zinc/55/12/34/822551234.db2.gz LKEKQMROYKEHGY-LJQANCHMSA-N 1 0 394.519 4.296 20 0 GIADRO CCCOc1ccc(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)cc1OCC ZINC000179779034 822551293 /nfs/dbraw/zinc/55/12/93/822551293.db2.gz LKEKQMROYKEHGY-IBGZPJMESA-N 1 0 394.519 4.296 20 0 GIADRO CCCCOc1ccc(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)cc1OC ZINC000179780056 822551512 /nfs/dbraw/zinc/55/15/12/822551512.db2.gz MBLDZDGYPCQCBL-IBGZPJMESA-N 1 0 394.519 4.296 20 0 GIADRO CCOCc1ccc(NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000454890312 822551689 /nfs/dbraw/zinc/55/16/89/822551689.db2.gz ROBLNTUGADDPMY-UHFFFAOYSA-N 1 0 387.446 4.104 20 0 GIADRO c1ccc(COc2cccc(C[N@@H+]3CCC[C@@H](c4nnc5ccccn54)C3)c2)nc1 ZINC000179781892 822551979 /nfs/dbraw/zinc/55/19/79/822551979.db2.gz PGVZNUCGVIAXOG-HXUWFJFHSA-N 1 0 399.498 4.083 20 0 GIADRO CC[C@@H]1CC[C@H](C)N(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000454895170 822552544 /nfs/dbraw/zinc/55/25/44/822552544.db2.gz GNAHKFZRXBYOMQ-HOBHPSKFSA-N 1 0 375.479 4.012 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1cccc(NC(=O)c2cccs2)c1 ZINC000047187698 822552600 /nfs/dbraw/zinc/55/26/00/822552600.db2.gz JICNFXBIDJCWMT-KRWDZBQOSA-N 1 0 399.560 4.385 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CCCNC(=O)c2ccccc2)cc1 ZINC000047190817 822552728 /nfs/dbraw/zinc/55/27/28/822552728.db2.gz WERXNTBIYZENEA-LJQANCHMSA-N 1 0 393.531 4.210 20 0 GIADRO COc1c(C)cc(C(=O)Nc2ccc(N(C)C3CC[NH+](C)CC3)cc2)cc1C ZINC000179793056 822553899 /nfs/dbraw/zinc/55/38/99/822553899.db2.gz VBHLYZFWUHNRRO-UHFFFAOYSA-N 1 0 381.520 4.095 20 0 GIADRO O=C(NC1CC(c2ccc(F)c(Cl)c2)C1)NC1CC[NH+](C2CCC2)CC1 ZINC000454918396 822556568 /nfs/dbraw/zinc/55/65/68/822556568.db2.gz QUSFZCNIAIYZFN-UHFFFAOYSA-N 1 0 379.907 4.041 20 0 GIADRO OCC[C@H]([NH2+]Cc1nnc(-c2cc3c(s2)CCCC3)o1)C1CCCCC1 ZINC000183993531 822559843 /nfs/dbraw/zinc/55/98/43/822559843.db2.gz VYJIDBMNTRHXLX-INIZCTEOSA-N 1 0 375.538 4.098 20 0 GIADRO O=C(NCCCCC[NH+]1CCCC1)Nc1cccc(-c2noc(C3CC3)n2)c1 ZINC000454938984 822560202 /nfs/dbraw/zinc/56/02/02/822560202.db2.gz GJUQOQWYOLIEEF-UHFFFAOYSA-N 1 0 383.496 4.002 20 0 GIADRO Cc1nc(CSc2ccc(C(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)cc2)cs1 ZINC000047287073 822562233 /nfs/dbraw/zinc/56/22/33/822562233.db2.gz KLRNSFGNVYKLLB-RBUKOAKNSA-N 1 0 387.574 4.100 20 0 GIADRO Cc1nc(COc2ccc(NC3CC[NH+]([C@@H]4CCC[C@H](C)C4)CC3)cc2)no1 ZINC000179832278 822562228 /nfs/dbraw/zinc/56/22/28/822562228.db2.gz RKFKQXLVBFSNCK-OXJNMPFZSA-N 1 0 384.524 4.412 20 0 GIADRO COc1cc(-c2nc(C[N@H+](C)C[C@@H](C)c3nccs3)cs2)ccc1O ZINC000184009981 822563046 /nfs/dbraw/zinc/56/30/46/822563046.db2.gz UMHLYPYWASGPDT-GFCCVEGCSA-N 1 0 375.519 4.216 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000047304570 822563696 /nfs/dbraw/zinc/56/36/96/822563696.db2.gz GYAKGDLBJKEPSR-UHFFFAOYSA-N 1 0 385.895 4.149 20 0 GIADRO Cc1cc(N2CCCC2)ccc1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000047305263 822563810 /nfs/dbraw/zinc/56/38/10/822563810.db2.gz PCVPGXWHRAFRME-UHFFFAOYSA-N 1 0 377.532 4.446 20 0 GIADRO O=C(Nc1cccc(OC(F)(F)F)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000047304934 822563853 /nfs/dbraw/zinc/56/38/53/822563853.db2.gz BCGWWPGZNVPIOS-UHFFFAOYSA-N 1 0 378.394 4.436 20 0 GIADRO Cn1nccc1CC[NH2+][C@@H](c1ccccc1)c1cc(Br)ccc1F ZINC000184017185 822564649 /nfs/dbraw/zinc/56/46/49/822564649.db2.gz PFXRJIGNSDLSTJ-IBGZPJMESA-N 1 0 388.284 4.243 20 0 GIADRO C[C@H](C[N@H+](C)[C@@H](C)C(=O)NC(c1ccccc1)c1ccccc1)c1nccs1 ZINC000184017708 822564846 /nfs/dbraw/zinc/56/48/46/822564846.db2.gz HUKJJZSAPVLCJB-MSOLQXFVSA-N 1 0 393.556 4.473 20 0 GIADRO Cc1ccc(C)c(NC(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000047319399 822564925 /nfs/dbraw/zinc/56/49/25/822564925.db2.gz AJLICXDJHQGYEJ-UHFFFAOYSA-N 1 0 380.536 4.027 20 0 GIADRO C[C@@H](Nc1cccc(N2CCCCC2=O)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000179845269 822565155 /nfs/dbraw/zinc/56/51/55/822565155.db2.gz OZOVUNJFUTUXMC-GOSISDBHSA-N 1 0 381.520 4.317 20 0 GIADRO C[C@@H](CC(=O)NC1CC[NH+](Cc2ccccn2)CC1)Cc1ccc(Cl)cc1 ZINC000179851474 822566234 /nfs/dbraw/zinc/56/62/34/822566234.db2.gz AEYDYXYIQVZQDV-QGZVFWFLSA-N 1 0 385.939 4.085 20 0 GIADRO Cn1nccc1CC[NH2+][C@@H](c1ccc(Br)cc1)c1ccccc1F ZINC000184028344 822567222 /nfs/dbraw/zinc/56/72/22/822567222.db2.gz DIDPIUWPXYQSRJ-IBGZPJMESA-N 1 0 388.284 4.243 20 0 GIADRO Cc1cc(NC(=O)C2CC[NH+](Cc3cnc(-c4cccs4)s3)CC2)no1 ZINC000179856877 822567238 /nfs/dbraw/zinc/56/72/38/822567238.db2.gz HOOBGNXIKDBFFA-UHFFFAOYSA-N 1 0 388.518 4.019 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1sccc1COC)c1ccccc1Cl ZINC000179875395 822569581 /nfs/dbraw/zinc/56/95/81/822569581.db2.gz XZHZWBVVXVEKLE-KRWDZBQOSA-N 1 0 380.941 4.361 20 0 GIADRO O=C(NCCCCC[NH+]1CCCC1)Nc1cc(F)c(Br)cc1F ZINC000455027806 822574150 /nfs/dbraw/zinc/57/41/50/822574150.db2.gz DGOGWGPYPMHYLG-UHFFFAOYSA-N 1 0 390.272 4.115 20 0 GIADRO O=C(CC[N@H+](C[C@H]1CCOC1)C1CC1)Nc1ccccc1Oc1ccccc1 ZINC000047405647 822575718 /nfs/dbraw/zinc/57/57/18/822575718.db2.gz VEXGUIWSOXXDJL-GOSISDBHSA-N 1 0 380.488 4.308 20 0 GIADRO CC(=O)Nc1ccc([C@H](C)[NH2+]CCCc2nc(-c3ccc(F)cc3)no2)cc1 ZINC000184090831 822576549 /nfs/dbraw/zinc/57/65/49/822576549.db2.gz LYXUJECUVMHKSU-AWEZNQCLSA-N 1 0 382.439 4.118 20 0 GIADRO C[C@H](F)CCNC(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000455036003 822576865 /nfs/dbraw/zinc/57/68/65/822576865.db2.gz HBSJSHDVUTXHIC-FXAWDEMLSA-N 1 0 375.532 4.067 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)Cc2coc(-c3cccs3)n2)CC1 ZINC000184093920 822576940 /nfs/dbraw/zinc/57/69/40/822576940.db2.gz RRIYPMBWVGYMAW-UHFFFAOYSA-N 1 0 389.565 4.306 20 0 GIADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc(NC(=O)c3cccs3)cc2)C1 ZINC000047416635 822577563 /nfs/dbraw/zinc/57/75/63/822577563.db2.gz WDDXVBKZSVTTSY-IAGOWNOFSA-N 1 0 399.560 4.098 20 0 GIADRO O=C(NCCCCC[NH+]1CCCC1)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000455042232 822578443 /nfs/dbraw/zinc/57/84/43/822578443.db2.gz YZOZDTZPVCCQAO-GOSISDBHSA-N 1 0 397.485 4.470 20 0 GIADRO COc1ccc(C[N@H+](CC(=O)Nc2c(C)cc(C)cc2C)[C@H](CO)C(C)C)cc1 ZINC000179930244 822579048 /nfs/dbraw/zinc/57/90/48/822579048.db2.gz PAYMRMWPOYDPRT-JOCHJYFZSA-N 1 0 398.547 4.078 20 0 GIADRO CC[NH+](CC)CCCC1CCN(C(=O)c2sc([C@H](C)OC)nc2C)CC1 ZINC000184107334 822579120 /nfs/dbraw/zinc/57/91/20/822579120.db2.gz UKZAPJAKWWRWSL-INIZCTEOSA-N 1 0 381.586 4.133 20 0 GIADRO O=C(CCCc1cccc(C(F)(F)F)c1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000184107757 822579324 /nfs/dbraw/zinc/57/93/24/822579324.db2.gz CKOGTUZRRQUPOW-UHFFFAOYSA-N 1 0 382.470 4.363 20 0 GIADRO Cc1cc(Cl)cc(C[NH+]2CCC(c3nc(-c4ccccn4)no3)CC2)c1O ZINC000179933449 822579909 /nfs/dbraw/zinc/57/99/09/822579909.db2.gz ODZHFHHWOTVVBG-UHFFFAOYSA-N 1 0 384.867 4.179 20 0 GIADRO C[NH+](C)Cc1cccc(NC(=O)Cn2c3ccccc3nc2SC(F)F)c1 ZINC000047460483 822581445 /nfs/dbraw/zinc/58/14/45/822581445.db2.gz NVGZWBKASXUQMZ-UHFFFAOYSA-N 1 0 390.459 4.051 20 0 GIADRO O=C(NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000455056204 822581783 /nfs/dbraw/zinc/58/17/83/822581783.db2.gz LGADOZQRMHLOJE-MKVSYHDVSA-N 1 0 382.335 4.023 20 0 GIADRO CCOc1cccc2cc([C@@H](C)[NH2+]Cc3ccc(S(=O)(=O)CC)cc3)oc21 ZINC000179942005 822581816 /nfs/dbraw/zinc/58/18/16/822581816.db2.gz CMCHBVRKYTWOAD-OAHLLOKOSA-N 1 0 387.501 4.476 20 0 GIADRO CC(C)CC(=O)Nc1ccc(NC(=O)N2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000047483849 822582862 /nfs/dbraw/zinc/58/28/62/822582862.db2.gz GDDLFAYGDRUKPE-UHFFFAOYSA-N 1 0 386.540 4.153 20 0 GIADRO CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)[C@@H](C)c2nc3ccccc3s2)cc1 ZINC000179947180 822583037 /nfs/dbraw/zinc/58/30/37/822583037.db2.gz SVWDIRZJYFLHJN-HUUCEWRRSA-N 1 0 388.558 4.372 20 0 GIADRO CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)cc1 ZINC000179948315 822583487 /nfs/dbraw/zinc/58/34/87/822583487.db2.gz WSLGVOBOGKIDRQ-GOSISDBHSA-N 1 0 379.909 4.137 20 0 GIADRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1csc(Cc2cccc(F)c2)n1 ZINC000184133017 822583890 /nfs/dbraw/zinc/58/38/90/822583890.db2.gz SBLKESSESGEZMO-UHFFFAOYSA-N 1 0 387.524 4.010 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)Nc1ccn(-c2ccccc2)n1 ZINC000047499529 822584578 /nfs/dbraw/zinc/58/45/78/822584578.db2.gz HIBDTCDEBXZKQI-UHFFFAOYSA-N 1 0 377.492 4.034 20 0 GIADRO [NH3+]CC1(CC(=O)Nc2ccc(Cl)cc2NC(=O)c2ccco2)CCCCC1 ZINC000184152125 822586600 /nfs/dbraw/zinc/58/66/00/822586600.db2.gz STOJIFYDOXFXKW-UHFFFAOYSA-N 1 0 389.883 4.423 20 0 GIADRO CCCCS(=O)(=O)Nc1ccc(NC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000179963977 822586657 /nfs/dbraw/zinc/58/66/57/822586657.db2.gz OZHTWCJIMCERJM-UHFFFAOYSA-N 1 0 393.597 4.437 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@@H]2CCCOc3cc(F)ccc32)cc(OC)c1OC ZINC000179965967 822586889 /nfs/dbraw/zinc/58/68/89/822586889.db2.gz PGALFSBOEBGKCO-CXAGYDPISA-N 1 0 375.440 4.416 20 0 GIADRO CSc1ncc(Cl)c(C(=O)Nc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)n1 ZINC000047522288 822586928 /nfs/dbraw/zinc/58/69/28/822586928.db2.gz YQGVSGXJQNZCRT-CYBMUJFWSA-N 1 0 390.940 4.479 20 0 GIADRO COc1cccc([C@H](C[NH2+][C@@H](C)c2nc3ccc(Cl)cc3n2C)N(C)C)c1 ZINC000179968529 822587562 /nfs/dbraw/zinc/58/75/62/822587562.db2.gz IUKQYHKTPSTRDZ-XOBRGWDASA-N 1 0 386.927 4.189 20 0 GIADRO Cc1nc2c(s1)[C@@H]([NH2+][C@@H]1CCN(c3ccc(F)c(Cl)c3)C1=O)CCC2 ZINC000179975209 822588680 /nfs/dbraw/zinc/58/86/80/822588680.db2.gz XQKKXAWZIIHKFR-JKSUJKDBSA-N 1 0 379.888 4.017 20 0 GIADRO Cc1ccnc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C(F)(F)F)cc2)c1 ZINC000184164206 822589130 /nfs/dbraw/zinc/58/91/30/822589130.db2.gz POGCFLJIGRDSIO-UHFFFAOYSA-N 1 0 380.414 4.005 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc(-n2cncn2)cc1)c1nc2ccc(Cl)cc2n1C ZINC000179977251 822589157 /nfs/dbraw/zinc/58/91/57/822589157.db2.gz UJHNIKUJBHHLOZ-ZIAGYGMSSA-N 1 0 380.883 4.219 20 0 GIADRO Cc1ccc(C[C@H](NC(=O)NCCCCC[NH+]2CCCC2)c2ccccn2)cc1 ZINC000455106078 822589683 /nfs/dbraw/zinc/58/96/83/822589683.db2.gz AHPXUWQSGUCPMG-QHCPKHFHSA-N 1 0 394.563 4.239 20 0 GIADRO Fc1ccc(-c2noc(CCC[NH2+]Cc3ccc(OCC(F)F)cc3)n2)cc1 ZINC000184169322 822589894 /nfs/dbraw/zinc/58/98/94/822589894.db2.gz SVJYJTOBTIQXKE-UHFFFAOYSA-N 1 0 391.393 4.242 20 0 GIADRO C[C@H](CC(=O)N1CCC(OCC[NH+]2CCCC2)CC1)Cc1ccc(Cl)cc1 ZINC000179981672 822590083 /nfs/dbraw/zinc/59/00/83/822590083.db2.gz FBNJSUOPZRRMAT-SFHVURJKSA-N 1 0 392.971 4.012 20 0 GIADRO CN(C)[C@H](C[NH2+][C@@H](c1cnn(C)c1)c1cccc(F)c1)c1ccccc1Cl ZINC000179984222 822590785 /nfs/dbraw/zinc/59/07/85/822590785.db2.gz OONSJOMJGRZWPQ-NHCUHLMSSA-N 1 0 386.902 4.195 20 0 GIADRO CC(C)N(C)c1ccc(NC(=O)N2CCC([NH+]3CCCCC3)CC2)cc1F ZINC000047560819 822590854 /nfs/dbraw/zinc/59/08/54/822590854.db2.gz WAADVPJJHGZLJC-UHFFFAOYSA-N 1 0 376.520 4.153 20 0 GIADRO C[C@H]([NH2+]Cc1ccccc1Cn1cccn1)c1nc2ccc(Cl)cc2n1C ZINC000179985843 822590930 /nfs/dbraw/zinc/59/09/30/822590930.db2.gz IGBZKILMKSWFBG-HNNXBMFYSA-N 1 0 379.895 4.322 20 0 GIADRO CCc1ccccc1NC(=S)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000047567307 822591467 /nfs/dbraw/zinc/59/14/67/822591467.db2.gz XXUDUNCMVDVPEN-HDICACEKSA-N 1 0 397.588 4.345 20 0 GIADRO C[C@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000179995427 822592603 /nfs/dbraw/zinc/59/26/03/822592603.db2.gz CFALQPOCBDKELZ-QFBILLFUSA-N 1 0 387.451 4.191 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)N3CCC[C@H](c4ccccc4)C3)c2)CC1 ZINC000455139688 822595515 /nfs/dbraw/zinc/59/55/15/822595515.db2.gz AWQDRXZOUPCVOA-NRFANRHFSA-N 1 0 392.547 4.240 20 0 GIADRO CC(C)C[NH+]1CCC(NC(=O)Nc2cccc(COCc3ccco3)c2)CC1 ZINC000047603299 822595700 /nfs/dbraw/zinc/59/57/00/822595700.db2.gz PQEYBRBRHPXIRV-UHFFFAOYSA-N 1 0 385.508 4.238 20 0 GIADRO CCOc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(OCC)c(OC)c2)cc1 ZINC000047608836 822596283 /nfs/dbraw/zinc/59/62/83/822596283.db2.gz VESCDNKMFNANGJ-CVEARBPZSA-N 1 0 386.492 4.170 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cc(F)ccc2F)cc1OC ZINC000047609072 822596479 /nfs/dbraw/zinc/59/64/79/822596479.db2.gz UEZFBDKWFRIYEF-OLZOCXBDSA-N 1 0 378.419 4.050 20 0 GIADRO C[NH+]1CCC(N[C@@H](c2ccc(Br)cc2)c2ccccc2F)CC1 ZINC000180013378 822596645 /nfs/dbraw/zinc/59/66/45/822596645.db2.gz WMDYHFNZWPBQTO-IBGZPJMESA-N 1 0 377.301 4.361 20 0 GIADRO COc1ccc(NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1OC(C)C ZINC000184214525 822597347 /nfs/dbraw/zinc/59/73/47/822597347.db2.gz WQVHJGBQZMXGHH-UHFFFAOYSA-N 1 0 397.519 4.400 20 0 GIADRO CC(C)CS(=O)(=O)N1CCC([NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000180019544 822597838 /nfs/dbraw/zinc/59/78/38/822597838.db2.gz WCDQGQVKHHLPHM-ZDUSSCGKSA-N 1 0 393.380 4.094 20 0 GIADRO CS(=O)(=O)c1cccc([C@H]([NH2+]CCc2cccc(F)c2)c2ccccc2)c1 ZINC000180020104 822598103 /nfs/dbraw/zinc/59/81/03/822598103.db2.gz MUSGAYCWRXWFOK-JOCHJYFZSA-N 1 0 383.488 4.151 20 0 GIADRO COc1cc(C)c(NC(=O)NC[C@H](c2ccc(SC)cc2)[NH+](C)C)cc1F ZINC000455155826 822598483 /nfs/dbraw/zinc/59/84/83/822598483.db2.gz BMUYLXMHCFUIGU-GOSISDBHSA-N 1 0 391.512 4.289 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc(NC(=O)NC2CC2)cc1)c1nc2ccccc2n1C ZINC000180021904 822598520 /nfs/dbraw/zinc/59/85/20/822598520.db2.gz QGJXRQSUBMRRJR-HUUCEWRRSA-N 1 0 377.492 4.269 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)c1nc2ccccc2n1C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000180021876 822598544 /nfs/dbraw/zinc/59/85/44/822598544.db2.gz QGJXRQSUBMRRJR-CABCVRRESA-N 1 0 377.492 4.269 20 0 GIADRO CC(C)CS(=O)(=O)N1CCC([NH2+][C@H](C)c2ccc(-c3ccccc3)o2)CC1 ZINC000180023811 822598910 /nfs/dbraw/zinc/59/89/10/822598910.db2.gz RXXMUHNFYSLIAL-QGZVFWFLSA-N 1 0 390.549 4.047 20 0 GIADRO O=C1CCCN1C[C@@H]([NH2+][C@H]1CCc2c1cccc2Br)c1ccccc1 ZINC000180023359 822598971 /nfs/dbraw/zinc/59/89/71/822598971.db2.gz DIPMCELYQBFDOK-VQTJNVASSA-N 1 0 399.332 4.390 20 0 GIADRO O=C(NC[C@@H]1CCCCC1(F)F)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000455159563 822599285 /nfs/dbraw/zinc/59/92/85/822599285.db2.gz FRAPQFPHNYYBMD-PZJWPPBQSA-N 1 0 391.506 4.120 20 0 GIADRO CN(C)C(=O)COc1cccc(C[NH2+][C@H](c2ccc(F)cc2)C2CCCC2)c1 ZINC000180026692 822599778 /nfs/dbraw/zinc/59/97/78/822599778.db2.gz CQXYGHRVQCYUDU-QHCPKHFHSA-N 1 0 384.495 4.314 20 0 GIADRO C[C@@H]1C[C@@H]1[C@H]([NH2+]CCC(=O)Nc1cc(N)ccc1F)c1ccc(Cl)cc1 ZINC000180031492 822601046 /nfs/dbraw/zinc/60/10/46/822601046.db2.gz DWYATQYRFITUEB-ADYAMRHXSA-N 1 0 375.875 4.377 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CCCCC2(F)F)[C@@H]1c1cccs1 ZINC000455170677 822601166 /nfs/dbraw/zinc/60/11/66/822601166.db2.gz OPFXFVHPSYRPOT-HLLBOEOZSA-N 1 0 385.524 4.256 20 0 GIADRO O=C(Nc1ccc(OC(F)F)c(F)c1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000047713813 822602384 /nfs/dbraw/zinc/60/23/84/822602384.db2.gz YMIUVBPTRCTJAW-UHFFFAOYSA-N 1 0 393.409 4.213 20 0 GIADRO CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3cccn3)cc2)cc1 ZINC000047722983 822603850 /nfs/dbraw/zinc/60/38/50/822603850.db2.gz XQFVLUVHVSXWEN-QGZVFWFLSA-N 1 0 377.492 4.253 20 0 GIADRO COc1cccc(CC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)c1 ZINC000047720578 822603891 /nfs/dbraw/zinc/60/38/91/822603891.db2.gz KCYWKKLYIQXRPQ-UHFFFAOYSA-N 1 0 384.483 4.275 20 0 GIADRO CCOc1ccc(C[NH2+][C@@H](C)c2ccc(NC(=O)NC(C)C)cc2)cc1OC ZINC000047723621 822603910 /nfs/dbraw/zinc/60/39/10/822603910.db2.gz DWVTUYANCJFORU-INIZCTEOSA-N 1 0 385.508 4.475 20 0 GIADRO CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]Cc2cnn(-c3ccccc3)c2)cc1 ZINC000047723735 822604213 /nfs/dbraw/zinc/60/42/13/822604213.db2.gz PQORKNFELNIGGM-KRWDZBQOSA-N 1 0 377.492 4.253 20 0 GIADRO O=S(=O)(CC[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1)c1ccccc1 ZINC000180051226 822604632 /nfs/dbraw/zinc/60/46/32/822604632.db2.gz NUGOPRBWXAASFA-GOSISDBHSA-N 1 0 383.435 4.220 20 0 GIADRO Cc1ccc([C@@H]([NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)C2CC2)cc1 ZINC000180061917 822606700 /nfs/dbraw/zinc/60/67/00/822606700.db2.gz VHZGZSLOXOMCJV-YDIMBITNSA-N 1 0 392.543 4.485 20 0 GIADRO CSc1ccc([C@@H](CNC(=O)Nc2ccnn2[C@H](C)C2CC2)[NH+](C)C)cc1 ZINC000455200097 822606957 /nfs/dbraw/zinc/60/69/57/822606957.db2.gz WBGXGNGYDJOHDV-RDTXWAMCSA-N 1 0 387.553 4.000 20 0 GIADRO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCc1nccn1Cc1ccccc1)CC3 ZINC000180068971 822608675 /nfs/dbraw/zinc/60/86/75/822608675.db2.gz NJBMYYHYYCWBPU-HXUWFJFHSA-N 1 0 384.527 4.411 20 0 GIADRO COc1ccccc1N1CC[C@@H](C[NH2+][C@H](C)c2nc3ccc(Cl)cc3n2C)C1 ZINC000180077601 822610747 /nfs/dbraw/zinc/61/07/47/822610747.db2.gz SQWBXVXNFSYIFU-CVEARBPZSA-N 1 0 398.938 4.412 20 0 GIADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)N[C@@H](c3ccc(Cl)cc3)C(F)(F)F)C2)C1 ZINC000455219777 822611108 /nfs/dbraw/zinc/61/11/08/822611108.db2.gz ZHZJQCYQTFDJAG-DOTOQJQBSA-N 1 0 389.849 4.071 20 0 GIADRO CCC(C)(C)NC(=O)c1ccc(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000047811011 822611672 /nfs/dbraw/zinc/61/16/72/822611672.db2.gz YTLVEVAOAMNLDO-UHFFFAOYSA-N 1 0 388.556 4.036 20 0 GIADRO Cc1cccc(-c2cccc(C[NH2+][C@@H](C)c3ccc(S(N)(=O)=O)cc3)c2)c1 ZINC000180083745 822611858 /nfs/dbraw/zinc/61/18/58/822611858.db2.gz UTDMPLLRVUUGKJ-KRWDZBQOSA-N 1 0 380.513 4.160 20 0 GIADRO CC(C)Oc1cccc([C@@H](C)NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)c1 ZINC000047832308 822613195 /nfs/dbraw/zinc/61/31/95/822613195.db2.gz MKSWWPXMMDRQQQ-QAPCUYQASA-N 1 0 375.538 4.198 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(-c2cnco2)cc1)Cc1ccccc1 ZINC000047829494 822613279 /nfs/dbraw/zinc/61/32/79/822613279.db2.gz WDKXYAZBKJWNID-NRFANRHFSA-N 1 0 377.488 4.025 20 0 GIADRO CC(C)Oc1cccc([C@H](C)NC(=O)NC[C@H](c2cccs2)[NH+](C)C)c1 ZINC000047832320 822613291 /nfs/dbraw/zinc/61/32/91/822613291.db2.gz MKSWWPXMMDRQQQ-MAUKXSAKSA-N 1 0 375.538 4.198 20 0 GIADRO CC[C@@H](NC(=O)NC[C@@H](c1cccs1)[NH+](C)C)c1ccccc1OC(F)F ZINC000047832345 822613416 /nfs/dbraw/zinc/61/34/16/822613416.db2.gz OPLSKISRHMWCFZ-CABCVRRESA-N 1 0 397.491 4.403 20 0 GIADRO C[C@H]([NH2+]CC1(C)CCN(C(=O)OC(C)(C)C)CC1)c1nc2ccccc2n1C ZINC000184317543 822613746 /nfs/dbraw/zinc/61/37/46/822613746.db2.gz QNVRYSROGKZLQT-INIZCTEOSA-N 1 0 386.540 4.261 20 0 GIADRO CCOc1ccc(NC(=O)NC(C)(C)CCC[NH+](C)C)cc1Br ZINC000455237006 822614831 /nfs/dbraw/zinc/61/48/31/822614831.db2.gz UMHOMLBXCPYGAC-UHFFFAOYSA-N 1 0 386.334 4.090 20 0 GIADRO CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000180103404 822615617 /nfs/dbraw/zinc/61/56/17/822615617.db2.gz MFAUXRBHOBCEEX-UYAOXDASSA-N 1 0 388.552 4.018 20 0 GIADRO C[N@@H+]1CC[C@]2(CCN(C(=O)N[C@@H](c3cccc4ccccc43)C(F)(F)F)C2)C1 ZINC000455240840 822615637 /nfs/dbraw/zinc/61/56/37/822615637.db2.gz RTGPPPXIMAGPHM-ICSRJNTNSA-N 1 0 391.437 4.180 20 0 GIADRO C[C@H]([NH2+]Cc1ccccc1Sc1ccccc1)c1ccc(S(N)(=O)=O)cc1 ZINC000180104133 822615893 /nfs/dbraw/zinc/61/58/93/822615893.db2.gz DAJIRKCTIKKTQH-INIZCTEOSA-N 1 0 398.553 4.336 20 0 GIADRO Cc1nc(-c2cccc(C(=O)N[C@@H]3CC[N@@H+](C)[C@@H]3c3ccccc3)c2)cs1 ZINC000180105953 822616296 /nfs/dbraw/zinc/61/62/96/822616296.db2.gz BOOOZKODGUZRKE-TZIWHRDSSA-N 1 0 377.513 4.294 20 0 GIADRO C[C@H](NC(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1)c1ccccn1 ZINC000047887839 822616548 /nfs/dbraw/zinc/61/65/48/822616548.db2.gz VIBGDRSMUUJKEE-FHWLQOOXSA-N 1 0 380.536 4.120 20 0 GIADRO COc1cc(CNCC[C@@H](C)[NH+]2CCCCC2)ccc1OCc1ccncc1 ZINC000184332899 822617077 /nfs/dbraw/zinc/61/70/77/822617077.db2.gz HGDUNODNQOXCHJ-LJQANCHMSA-N 1 0 383.536 4.023 20 0 GIADRO COc1ccc2oc([C@@H](C)[NH2+][C@H](C)C(=O)N3CCc4sccc4C3)c(C)c2c1 ZINC000184333442 822617255 /nfs/dbraw/zinc/61/72/55/822617255.db2.gz CXQDUXMVDPUHIV-HUUCEWRRSA-N 1 0 398.528 4.435 20 0 GIADRO COc1ccc2oc([C@@H](C)[NH2+]CC(=O)N3CCC[C@H](C(F)(F)F)C3)c(C)c2c1 ZINC000184342191 822618808 /nfs/dbraw/zinc/61/88/08/822618808.db2.gz VXTHRMYENYWESY-KGLIPLIRSA-N 1 0 398.425 4.201 20 0 GIADRO COc1ccc2oc([C@@H](C)[NH2+]C[C@H]3CN(c4ccccc4)C(=O)O3)c(C)c2c1 ZINC000184341506 822618810 /nfs/dbraw/zinc/61/88/10/822618810.db2.gz GOWSVSLGQZAVEJ-QAPCUYQASA-N 1 0 380.444 4.426 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]CC(=O)N(C)c1nccs1 ZINC000184345633 822619412 /nfs/dbraw/zinc/61/94/12/822619412.db2.gz GNVKFUMLIHYWAV-NSHDSACASA-N 1 0 390.509 4.028 20 0 GIADRO Cc1cnc([C@@H](C)C[NH2+]CC2=Cc3cc(Br)ccc3OC2)s1 ZINC000184345243 822619417 /nfs/dbraw/zinc/61/94/17/822619417.db2.gz RJRXMGMVDGDZGK-NSHDSACASA-N 1 0 379.323 4.383 20 0 GIADRO Cc1cnc([C@@H](C)C[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)s1 ZINC000184345887 822619623 /nfs/dbraw/zinc/61/96/23/822619623.db2.gz VVWRYEBKKQIZSK-NSHDSACASA-N 1 0 391.338 4.497 20 0 GIADRO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc1Oc1ccncc1 ZINC000180122089 822619747 /nfs/dbraw/zinc/61/97/47/822619747.db2.gz GBTQGSDXVJAMMO-JTHBVZDNSA-N 1 0 387.483 4.358 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]CCCS(=O)(=O)C(C)C ZINC000184348204 822620008 /nfs/dbraw/zinc/62/00/08/822620008.db2.gz NFXHCFQHTDBFJD-CYBMUJFWSA-N 1 0 384.542 4.122 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]Cc1cc(=O)n2ccccc2n1 ZINC000184349450 822620247 /nfs/dbraw/zinc/62/02/47/822620247.db2.gz NHURJDXTJJXZDC-ZDUSSCGKSA-N 1 0 394.475 4.116 20 0 GIADRO Cc1oc2ccccc2c1C(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000184352582 822620641 /nfs/dbraw/zinc/62/06/41/822620641.db2.gz ZVTGMECJPLKDGB-IBGZPJMESA-N 1 0 390.483 4.459 20 0 GIADRO CC[C@@H](C)n1ncc(NC(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)c1C ZINC000455263233 822620822 /nfs/dbraw/zinc/62/08/22/822620822.db2.gz NMEOEYGRIOMLDF-QGZVFWFLSA-N 1 0 383.540 4.339 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)N[C@H](C)c1cccc(NC(C)=O)c1)c1ccccc1 ZINC000047948093 822621922 /nfs/dbraw/zinc/62/19/22/822621922.db2.gz DDLOEKOSIQTXAX-VGSWGCGISA-N 1 0 396.535 4.088 20 0 GIADRO CCCc1c(NC(=O)NC(C)(C)CCC[NH+](C)C)cnn1-c1cccc(C)c1 ZINC000455268340 822622137 /nfs/dbraw/zinc/62/21/37/822622137.db2.gz CRXZLSPRMMOULS-UHFFFAOYSA-N 1 0 385.556 4.375 20 0 GIADRO CC(C)NC(=O)c1ccccc1NC(=O)C[NH2+][C@H](C)c1cc2ccccc2s1 ZINC000184369324 822623499 /nfs/dbraw/zinc/62/34/99/822623499.db2.gz VNYKMKGHOXIOJP-OAHLLOKOSA-N 1 0 395.528 4.329 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1ccccc1N1CCCC1=O)c1cc2ccccc2s1 ZINC000184377943 822624738 /nfs/dbraw/zinc/62/47/38/822624738.db2.gz SITLLYUPYRJQEC-HNNXBMFYSA-N 1 0 393.512 4.317 20 0 GIADRO CCOc1ccccc1[C@H](CC(C)C)[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000180139983 822624796 /nfs/dbraw/zinc/62/47/96/822624796.db2.gz FLKNYHXNKQHTBR-UZLBHIALSA-N 1 0 390.549 4.171 20 0 GIADRO COc1ccc([C@H]([NH2+]CCC(=O)Nc2cc(Cl)ccc2OC)C2CC2)cc1 ZINC000180141025 822624910 /nfs/dbraw/zinc/62/49/10/822624910.db2.gz QEGGFAXOXQEHGT-OAQYLSRUSA-N 1 0 388.895 4.427 20 0 GIADRO Cc1cccc(C([NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)c2cccc(C)c2)c1 ZINC000180146628 822626300 /nfs/dbraw/zinc/62/63/00/822626300.db2.gz PRZKVNZATWOGCT-SFHVURJKSA-N 1 0 394.540 4.391 20 0 GIADRO C[C@H]1CCCN(C(=O)C2CC[NH+](CCCOc3ccc(Cl)cc3)CC2)C1 ZINC000048047389 822626632 /nfs/dbraw/zinc/62/66/32/822626632.db2.gz MFQASDJOBKZOCT-KRWDZBQOSA-N 1 0 378.944 4.079 20 0 GIADRO CCCc1c(NC(=O)NC(C)(C)CCC[NH+](C)C)cnn1-c1ccc(C)cc1 ZINC000455283424 822626796 /nfs/dbraw/zinc/62/67/96/822626796.db2.gz WAPIDAWLQMVDAT-UHFFFAOYSA-N 1 0 385.556 4.375 20 0 GIADRO COc1cccc(NC(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCCC2)c1 ZINC000048050515 822626823 /nfs/dbraw/zinc/62/68/23/822626823.db2.gz ICLUGMZYLVLBTG-HXUWFJFHSA-N 1 0 383.492 4.053 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(Br)cc1F)c1ccc(F)cc1 ZINC000048051956 822627203 /nfs/dbraw/zinc/62/72/03/822627203.db2.gz JIYJYQGHUIHHHD-INIZCTEOSA-N 1 0 398.251 4.152 20 0 GIADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)Nc2ccc(OC(F)(F)F)cc2)o1 ZINC000048051615 822627256 /nfs/dbraw/zinc/62/72/56/822627256.db2.gz MIRNSTOLHYTAQZ-UHFFFAOYSA-N 1 0 385.386 4.082 20 0 GIADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)Nc2ncc(-c3ccccc3)s2)o1 ZINC000048057509 822628113 /nfs/dbraw/zinc/62/81/13/822628113.db2.gz SWIOWNHGFYHBJC-UHFFFAOYSA-N 1 0 384.505 4.307 20 0 GIADRO CC(C)n1ncc2cc(NC(=O)NCc3ccccc3C[N@H+](C)C(C)C)cnc21 ZINC000048062898 822628292 /nfs/dbraw/zinc/62/82/92/822628292.db2.gz UBLVTIPBHWQZDG-UHFFFAOYSA-N 1 0 394.523 4.174 20 0 GIADRO Cc1c(NC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)cccc1N(C)C ZINC000180157022 822628986 /nfs/dbraw/zinc/62/89/86/822628986.db2.gz RMKLNAUDJVNWPJ-GOSISDBHSA-N 1 0 380.536 4.408 20 0 GIADRO COc1ccccc1S(=O)(=O)CCC[NH2+][C@@H](C)c1cc2ccccc2s1 ZINC000184407466 822629477 /nfs/dbraw/zinc/62/94/77/822629477.db2.gz SXVHMNUPFQNSEC-HNNXBMFYSA-N 1 0 389.542 4.425 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)Nc2cccc(N(C)C)c2C)CC1 ZINC000180160732 822629788 /nfs/dbraw/zinc/62/97/88/822629788.db2.gz TVKCLWRMBLFXEC-UHFFFAOYSA-N 1 0 380.536 4.156 20 0 GIADRO C[C@@H]([NH2+]CC[C@H](C)NC(=O)OC(C)(C)C)c1nc2ccc(Cl)cc2n1C ZINC000180164226 822630481 /nfs/dbraw/zinc/63/04/81/822630481.db2.gz RKXQFXGFHNPSCN-QWHCGFSZSA-N 1 0 380.920 4.181 20 0 GIADRO O[C@H](c1ccc(F)cc1)C1CC[NH+](Cc2c(C3CC3)nc3sccn23)CC1 ZINC000180169292 822631490 /nfs/dbraw/zinc/63/14/90/822631490.db2.gz ZSAFCJLNEBIJDD-HXUWFJFHSA-N 1 0 385.508 4.358 20 0 GIADRO Cn1cc(C[NH+]2CCC([C@H](O)c3ccc(F)cc3)CC2)c(-c2ccccc2)n1 ZINC000180169519 822631570 /nfs/dbraw/zinc/63/15/70/822631570.db2.gz WWZGDZAVJSEAAZ-HSZRJFAPSA-N 1 0 379.479 4.172 20 0 GIADRO COC[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc(F)c(F)c1 ZINC000180171766 822631931 /nfs/dbraw/zinc/63/19/31/822631931.db2.gz QAPAYJCHOKUUGF-CRHVVPOVSA-N 1 0 386.486 4.438 20 0 GIADRO CN(Cc1cc(F)c(F)c(F)c1)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000180184956 822634850 /nfs/dbraw/zinc/63/48/50/822634850.db2.gz PTVLGOZQCQTBQU-INIZCTEOSA-N 1 0 397.466 4.144 20 0 GIADRO CC[NH+](CC)CCC[C@H](C)NC(=O)Cc1csc(-c2cccc(F)c2)n1 ZINC000048129757 822636684 /nfs/dbraw/zinc/63/66/84/822636684.db2.gz OLAHBVXGUNTRBP-HNNXBMFYSA-N 1 0 377.529 4.118 20 0 GIADRO COc1cccc([C@H](CNC(=O)Nc2cccc(N(C)C)c2C)[NH+]2CCCC2)c1 ZINC000180196177 822637213 /nfs/dbraw/zinc/63/72/13/822637213.db2.gz GNPCRRPTMSCODL-QFIPXVFZSA-N 1 0 396.535 4.028 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(Sc2ccccc2)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000180197491 822637527 /nfs/dbraw/zinc/63/75/27/822637527.db2.gz BNMDBUFXKQTFDE-INIZCTEOSA-N 1 0 398.553 4.336 20 0 GIADRO Brc1cccc2c1CC[C@@H]2[NH2+]CCc1nnc(-c2ccccc2)o1 ZINC000180198451 822637900 /nfs/dbraw/zinc/63/79/00/822637900.db2.gz WXLWSNHPXNTVNK-KRWDZBQOSA-N 1 0 384.277 4.319 20 0 GIADRO CC[NH+](CC)Cc1ccc(CNC(=O)c2sccc2Br)cc1 ZINC000048161380 822641122 /nfs/dbraw/zinc/64/11/22/822641122.db2.gz XZMWJGOXIXEBNP-UHFFFAOYSA-N 1 0 381.339 4.282 20 0 GIADRO CC[NH+]1CCC(n2nccc2NC(=O)c2ccc([C@H](C)C(F)(F)F)cc2)CC1 ZINC000455367610 822641389 /nfs/dbraw/zinc/64/13/89/822641389.db2.gz CUFSYNQCIINNCH-AWEZNQCLSA-N 1 0 394.441 4.458 20 0 GIADRO CC(C)[NH+]1CCC(NC(=O)Nc2cccc(OCc3cccc(F)c3)c2)CC1 ZINC000048162335 822641410 /nfs/dbraw/zinc/64/14/10/822641410.db2.gz KUPPNXYBQAQTKN-UHFFFAOYSA-N 1 0 385.483 4.399 20 0 GIADRO O=C(NC1CC[NH+](Cc2cccnc2)CC1)c1ccc(Cl)cc1C(F)(F)F ZINC000184472701 822642062 /nfs/dbraw/zinc/64/20/62/822642062.db2.gz VZCUORBCTTUZPQ-UHFFFAOYSA-N 1 0 397.828 4.148 20 0 GIADRO CCCc1c(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)[nH]c(C)c1C(C)=O ZINC000048185608 822643206 /nfs/dbraw/zinc/64/32/06/822643206.db2.gz LOMSCGXDIQJZOI-FQEVSTJZSA-N 1 0 381.520 4.045 20 0 GIADRO COc1ccc(CCCCCC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000180226506 822643414 /nfs/dbraw/zinc/64/34/14/822643414.db2.gz WIPQGMKPMKGDTC-UHFFFAOYSA-N 1 0 395.547 4.226 20 0 GIADRO O=C(c1csc(-c2ccc(F)c(F)c2)n1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000180231182 822644716 /nfs/dbraw/zinc/64/47/16/822644716.db2.gz YYXPSKUSETUZHC-HNNXBMFYSA-N 1 0 391.487 4.179 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)COCc1ccccc1Cl)c1nc(C(C)(C)C)cs1 ZINC000184488653 822644700 /nfs/dbraw/zinc/64/47/00/822644700.db2.gz DYQXESVTIPSKDQ-DZGCQCFKSA-N 1 0 382.957 4.322 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)COCc1ccccc1Cl)c1nc(C(C)(C)C)cs1 ZINC000184488672 822644751 /nfs/dbraw/zinc/64/47/51/822644751.db2.gz DYQXESVTIPSKDQ-UKRRQHHQSA-N 1 0 382.957 4.322 20 0 GIADRO Cc1ccc(C(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c(C2CC2)n1 ZINC000455390006 822645170 /nfs/dbraw/zinc/64/51/70/822645170.db2.gz UXJKJCPHIXIKSK-UHFFFAOYSA-N 1 0 377.532 4.252 20 0 GIADRO Cc1ccc(NC(=O)C(C)C)cc1NC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000048254843 822648578 /nfs/dbraw/zinc/64/85/78/822648578.db2.gz ZDIKPSKCMMNBRR-SFHVURJKSA-N 1 0 388.556 4.366 20 0 GIADRO CCC(=O)Nc1ccc(C)c(NC(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000048256718 822649123 /nfs/dbraw/zinc/64/91/23/822649123.db2.gz FCBKZMNAQFTXML-IRXDYDNUSA-N 1 0 388.556 4.223 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2OC(F)(F)F)[C@@H]1c1cccs1 ZINC000180258430 822649600 /nfs/dbraw/zinc/64/96/00/822649600.db2.gz UWFGTTQJCBENFI-CXAGYDPISA-N 1 0 398.450 4.460 20 0 GIADRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)c1O ZINC000180264467 822650982 /nfs/dbraw/zinc/65/09/82/822650982.db2.gz VSGPXTVYRZSSCX-UHFFFAOYSA-N 1 0 376.859 4.344 20 0 GIADRO CCc1nc2c(s1)[C@H]([NH2+][C@H]1CCN(C(C)=O)Cc3cc(F)ccc31)CCC2 ZINC000184527469 822651339 /nfs/dbraw/zinc/65/13/39/822651339.db2.gz RIGLYRHPFPILGA-ZWKOTPCHSA-N 1 0 387.524 4.305 20 0 GIADRO O=C(NC[C@@H]1CCCC1(F)F)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000455426020 822651480 /nfs/dbraw/zinc/65/14/80/822651480.db2.gz ZDDZPUGYDJRFHX-AABGKKOBSA-N 1 0 391.506 4.118 20 0 GIADRO CC[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(CC)CC)cc1)c1ccccc1F ZINC000180273107 822652357 /nfs/dbraw/zinc/65/23/57/822652357.db2.gz VDDMYRJUROQAMJ-FQEVSTJZSA-N 1 0 378.513 4.097 20 0 GIADRO Cc1cc2ncn(C[NH+]3CCC(n4ccc(C(F)(F)F)n4)CC3)c2cc1C ZINC000180274092 822652531 /nfs/dbraw/zinc/65/25/31/822652531.db2.gz PXGNFFQASFDNGO-UHFFFAOYSA-N 1 0 377.414 4.163 20 0 GIADRO CCc1ccc(CNC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000180275293 822652771 /nfs/dbraw/zinc/65/27/71/822652771.db2.gz YAHMRYSRVXDTDE-UHFFFAOYSA-N 1 0 386.565 4.154 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCc1coc(-c2cccs2)n1 ZINC000048309857 822652902 /nfs/dbraw/zinc/65/29/02/822652902.db2.gz AXVISBKSZHRGHI-UHFFFAOYSA-N 1 0 398.532 4.243 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]Cc1cc(=O)n2ccccc2n1 ZINC000184545959 822654851 /nfs/dbraw/zinc/65/48/51/822654851.db2.gz NAUJZQAQMSPCTF-OAHLLOKOSA-N 1 0 390.512 4.286 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccccc1OC(F)(F)F ZINC000180283607 822654893 /nfs/dbraw/zinc/65/48/93/822654893.db2.gz RZJXYDIYUOFNSV-QGZVFWFLSA-N 1 0 392.421 4.179 20 0 GIADRO COc1ccc(Cl)cc1[C@@H](CC(C)C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000455444907 822655437 /nfs/dbraw/zinc/65/54/37/822655437.db2.gz KTNVAOYLFJVEOT-RGPMPMONSA-N 1 0 393.959 4.360 20 0 GIADRO Cc1nc(NC(=O)N2CCC[C@H]([NH+](C)C)CC2)sc1Cc1ccc(F)cc1 ZINC000455448643 822656149 /nfs/dbraw/zinc/65/61/49/822656149.db2.gz OWGZEFUQJWCGBU-KRWDZBQOSA-N 1 0 390.528 4.129 20 0 GIADRO Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000455450680 822656618 /nfs/dbraw/zinc/65/66/18/822656618.db2.gz XDABHHHPTBJZSB-NXEWRWPSSA-N 1 0 383.561 4.265 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000048397382 822659303 /nfs/dbraw/zinc/65/93/03/822659303.db2.gz QVMDYPZCLRXNFI-KRWDZBQOSA-N 1 0 397.494 4.072 20 0 GIADRO C[C@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@@H](C)c1ccccc1C(F)(F)F ZINC000455470506 822660912 /nfs/dbraw/zinc/66/09/12/822660912.db2.gz HJKUZWILDARMOB-FVPDABNVSA-N 1 0 383.458 4.122 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(F)cc1Br)c1cccc(F)c1 ZINC000048451807 822663142 /nfs/dbraw/zinc/66/31/42/822663142.db2.gz VNGFEFMUWKDSOU-INIZCTEOSA-N 1 0 398.251 4.152 20 0 GIADRO COc1cc(C)c(Br)cc1NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000184599126 822663858 /nfs/dbraw/zinc/66/38/58/822663858.db2.gz IRXNODOKAFVOCP-UHFFFAOYSA-N 1 0 398.345 4.151 20 0 GIADRO CCC[NH+]1CCC(CNC(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)CC1 ZINC000180333704 822665247 /nfs/dbraw/zinc/66/52/47/822665247.db2.gz CDQFVHZYKLYEPG-UHFFFAOYSA-N 1 0 393.491 4.133 20 0 GIADRO Cc1c(NC(=O)N(CC[NH+](C)C)Cc2cccs2)cccc1-c1ncco1 ZINC000455497155 822666218 /nfs/dbraw/zinc/66/62/18/822666218.db2.gz YNSRXKYKBZCRII-UHFFFAOYSA-N 1 0 384.505 4.307 20 0 GIADRO Cc1cc(C(=O)NC2CC[NH+](C(C)C)CC2)nn1-c1ccc(Cl)cc1Cl ZINC000180344653 822667119 /nfs/dbraw/zinc/66/71/19/822667119.db2.gz YUGBTMGFHBUEPF-UHFFFAOYSA-N 1 0 395.334 4.090 20 0 GIADRO C[C@@H](NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1Cl ZINC000180345604 822667141 /nfs/dbraw/zinc/66/71/41/822667141.db2.gz MAYGNYOXMHATNN-CQSZACIVSA-N 1 0 390.890 4.151 20 0 GIADRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)Nc1cccc(-c2ncco2)c1C)c1ccco1 ZINC000455504418 822667451 /nfs/dbraw/zinc/66/74/51/822667451.db2.gz IEWHUOAQDXMKPE-KDOFPFPSSA-N 1 0 382.464 4.494 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)N1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000455506776 822668020 /nfs/dbraw/zinc/66/80/20/822668020.db2.gz ZEPNPEJLZACLTK-KRWDZBQOSA-N 1 0 393.934 4.213 20 0 GIADRO COc1ccc(Br)c(NC(=O)N2CCC(CCC[NH+](C)C)CC2)c1 ZINC000180351266 822668343 /nfs/dbraw/zinc/66/83/43/822668343.db2.gz UMFIYBQWIITSOX-UHFFFAOYSA-N 1 0 398.345 4.043 20 0 GIADRO CCOc1cccc2cc([C@H](C)[NH2+]CC(=O)Nc3cccc(C(C)=O)c3)oc21 ZINC000180354227 822669019 /nfs/dbraw/zinc/66/90/19/822669019.db2.gz VFTGKDWHKMKYJB-AWEZNQCLSA-N 1 0 380.444 4.323 20 0 GIADRO CCOc1cccc2cc([C@H](C)[NH2+]CC(=O)Nc3ccnn3C3CCCC3)oc21 ZINC000180360258 822670103 /nfs/dbraw/zinc/67/01/03/822670103.db2.gz KWRBRMHMWKDMFM-HNNXBMFYSA-N 1 0 396.491 4.432 20 0 GIADRO CC1(C)Oc2ccc(NC(=O)NC[C@H](c3cccs3)[NH+]3CCCC3)cc2O1 ZINC000048542513 822671036 /nfs/dbraw/zinc/67/10/36/822671036.db2.gz AGFOFOVWYIMMSU-OAHLLOKOSA-N 1 0 387.505 4.214 20 0 GIADRO CC[N@H+](CCNC(=O)Nc1cccc(-c2ncco2)c1C)CCC(F)(F)F ZINC000455539522 822672233 /nfs/dbraw/zinc/67/22/33/822672233.db2.gz RQKUUPXPASLYRF-UHFFFAOYSA-N 1 0 384.402 4.046 20 0 GIADRO O=C(NCC[NH+]1CCCCCC1)c1ccc(Br)cc1C(F)(F)F ZINC000180385954 822673723 /nfs/dbraw/zinc/67/37/23/822673723.db2.gz MIUHWAJCFWWYIL-UHFFFAOYSA-N 1 0 393.247 4.074 20 0 GIADRO Cc1ccc(C[C@@H](C)C(=O)N[C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)cc1 ZINC000180390248 822674438 /nfs/dbraw/zinc/67/44/38/822674438.db2.gz BCOXFLYJFMSHIB-DENIHFKCSA-N 1 0 392.543 4.278 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)N1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000455560848 822674831 /nfs/dbraw/zinc/67/48/31/822674831.db2.gz MMPWPHVDMMXDHQ-OAQYLSRUSA-N 1 0 391.506 4.275 20 0 GIADRO C[C@H](CNC(=O)NC1CC[NH+](C2CCC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000455566067 822675570 /nfs/dbraw/zinc/67/55/70/822675570.db2.gz RJJPPBKZVXRFCQ-CQSZACIVSA-N 1 0 383.458 4.125 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)Nc2cc(F)cc(F)c2F)CC1 ZINC000455568569 822675937 /nfs/dbraw/zinc/67/59/37/822675937.db2.gz RFKUSTNJCJCUNS-CYBMUJFWSA-N 1 0 377.410 4.451 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1cc(F)cc(F)c1F ZINC000455568111 822675942 /nfs/dbraw/zinc/67/59/42/822675942.db2.gz QBKBHTSUWQTSBG-CXAGYDPISA-N 1 0 377.410 4.136 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)N(CCc1ccc(Cl)cc1)CC1CC1 ZINC000455569625 822676135 /nfs/dbraw/zinc/67/61/35/822676135.db2.gz WHLBIPAWMVCXNG-UHFFFAOYSA-N 1 0 389.971 4.321 20 0 GIADRO CC(C)[NH+]1CCC(N[C@H](C)c2ccc(OC(F)F)cc2OC(F)F)CC1 ZINC000180405326 822676408 /nfs/dbraw/zinc/67/64/08/822676408.db2.gz UMYULUOIYKTXJD-GFCCVEGCSA-N 1 0 378.410 4.413 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1)c1ccc2ccccc2c1 ZINC000184688050 822676548 /nfs/dbraw/zinc/67/65/48/822676548.db2.gz VGOZDDMTSOUZAY-INIZCTEOSA-N 1 0 398.503 4.370 20 0 GIADRO O=C(Nc1cc(F)cc(F)c1F)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000455572112 822676711 /nfs/dbraw/zinc/67/67/11/822676711.db2.gz ZJOBRLYMFOXXPI-UHFFFAOYSA-N 1 0 391.437 4.276 20 0 GIADRO O=C(N[C@H](c1ccccc1)c1cccc(F)c1)NC1CC[NH+](C2CCC2)CC1 ZINC000455573199 822676925 /nfs/dbraw/zinc/67/69/25/822676925.db2.gz ZRPQKLVVHGVHDY-JOCHJYFZSA-N 1 0 381.495 4.231 20 0 GIADRO COc1ccc(OC)c([C@H](C)[NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)c1 ZINC000180410027 822677067 /nfs/dbraw/zinc/67/70/67/822677067.db2.gz LVAWRMSGQFAKLJ-KRWDZBQOSA-N 1 0 382.504 4.181 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(COc2ccccc2)cc1)c1ccc(-n2cnnn2)cc1 ZINC000180411787 822677455 /nfs/dbraw/zinc/67/74/55/822677455.db2.gz JOQFFVOXODDWBH-GOSISDBHSA-N 1 0 385.471 4.092 20 0 GIADRO CCC(CC)n1nc(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1C ZINC000180415735 822677864 /nfs/dbraw/zinc/67/78/64/822677864.db2.gz JKDCSXGRNBUJSK-UHFFFAOYSA-N 1 0 386.515 4.086 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3ccccc3OCC3CC3)cc2)CC1 ZINC000180419436 822678447 /nfs/dbraw/zinc/67/84/47/822678447.db2.gz SVUMNEMHFKOICK-UHFFFAOYSA-N 1 0 393.531 4.258 20 0 GIADRO COc1cc(NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)cc(OC)c1C ZINC000455583212 822678455 /nfs/dbraw/zinc/67/84/55/822678455.db2.gz XPCSQOFAHJJEBZ-UHFFFAOYSA-N 1 0 389.540 4.132 20 0 GIADRO COc1cc(NC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc(OC)c1C ZINC000455583730 822678650 /nfs/dbraw/zinc/67/86/50/822678650.db2.gz ZWBBDSFGVOQJCL-FUHWJXTLSA-N 1 0 389.540 4.131 20 0 GIADRO COc1ccccc1[C@@H](C)CC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180420854 822678651 /nfs/dbraw/zinc/67/86/51/822678651.db2.gz XQRLLMUDSKZUID-IBGZPJMESA-N 1 0 395.547 4.349 20 0 GIADRO C[C@H](c1ccc(C(=O)N2C[C@@H]([NH+](C)C)Cc3ccccc32)cc1)C(F)(F)F ZINC000455583718 822678658 /nfs/dbraw/zinc/67/86/58/822678658.db2.gz ZUGCKMUQVQXREJ-KDOFPFPSSA-N 1 0 376.422 4.486 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1ccc(OC(F)F)cc1 ZINC000180422200 822678807 /nfs/dbraw/zinc/67/88/07/822678807.db2.gz YUSQSBNCKLGURZ-UHFFFAOYSA-N 1 0 389.446 4.062 20 0 GIADRO CC[C@@H](C)C(=O)Nc1cccc(C[NH2+][C@H](C)c2cnc3cc(C)nn3c2C)c1 ZINC000180423464 822679106 /nfs/dbraw/zinc/67/91/06/822679106.db2.gz BSWJFPWCRVVKJW-GDBMZVCRSA-N 1 0 379.508 4.182 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)C[C@H]1CCOc2ccccc21 ZINC000180424164 822679234 /nfs/dbraw/zinc/67/92/34/822679234.db2.gz OBFZTYVLXIISRD-HXUWFJFHSA-N 1 0 393.531 4.103 20 0 GIADRO COc1cc(C[NH2+]Cc2cccc3c2OCCCO3)ccc1OC1CCCC1 ZINC000048714089 822679414 /nfs/dbraw/zinc/67/94/14/822679414.db2.gz GWQKZNYKVMWCAM-UHFFFAOYSA-N 1 0 383.488 4.468 20 0 GIADRO C[NH+](C)C1CCN(c2ccc(NC(=O)C/C=C/c3ccc(F)cc3)cc2)CC1 ZINC000180425545 822679444 /nfs/dbraw/zinc/67/94/44/822679444.db2.gz CZYBQZZKVANRMM-ONEGZZNKSA-N 1 0 381.495 4.398 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1cc(F)cc2cccnc21 ZINC000180428039 822679879 /nfs/dbraw/zinc/67/98/79/822679879.db2.gz KCQDSVQFQYAALW-UHFFFAOYSA-N 1 0 392.478 4.148 20 0 GIADRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)NCC[NH+]1CCCCC1 ZINC000048735576 822680220 /nfs/dbraw/zinc/68/02/20/822680220.db2.gz XQXJHCFEVPYZNF-UHFFFAOYSA-N 1 0 395.507 4.246 20 0 GIADRO CCCOc1ccc(Oc2ncccc2C[NH2+]Cc2ccc(C(N)=O)cc2)cc1 ZINC000048745159 822680675 /nfs/dbraw/zinc/68/06/75/822680675.db2.gz KFEOYOKAYRSNAI-UHFFFAOYSA-N 1 0 391.471 4.051 20 0 GIADRO Cc1c(-c2cc(C[NH2+][C@@H](C)c3ccc(OC(F)(F)F)cc3)on2)cnn1C ZINC000184716243 822681091 /nfs/dbraw/zinc/68/10/91/822681091.db2.gz KINGXUYZTNCYSA-NSHDSACASA-N 1 0 380.370 4.133 20 0 GIADRO CC[C@H]([NH2+]Cc1ccc(Cl)c(Cl)c1)c1ccccc1OCC(=O)NC ZINC000048749846 822681133 /nfs/dbraw/zinc/68/11/33/822681133.db2.gz VWKHFXCFEPKCPN-KRWDZBQOSA-N 1 0 381.303 4.359 20 0 GIADRO COc1ccccc1C[NH2+]Cc1ccc(Oc2c(OC)cccc2OC)nc1 ZINC000048749617 822681195 /nfs/dbraw/zinc/68/11/95/822681195.db2.gz RMDNWNGAFCZULU-UHFFFAOYSA-N 1 0 380.444 4.190 20 0 GIADRO CC[C@@H](NC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)c1c(C)noc1C ZINC000180436527 822681514 /nfs/dbraw/zinc/68/15/14/822681514.db2.gz GCVRXPLZCRUTPU-HXUWFJFHSA-N 1 0 399.539 4.086 20 0 GIADRO COc1ccc([C@@H](C)CC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000180436960 822681745 /nfs/dbraw/zinc/68/17/45/822681745.db2.gz YGHLNIUITFWNCM-IBGZPJMESA-N 1 0 395.547 4.349 20 0 GIADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)C(C)(C)c1cccc(F)c1 ZINC000180441718 822682804 /nfs/dbraw/zinc/68/28/04/822682804.db2.gz IMIZUGQFNQBHCO-UHFFFAOYSA-N 1 0 383.511 4.263 20 0 GIADRO COc1cc2c(cc1C[NH2+]Cc1cccc(NC(=O)C3CCCC3)c1)O[C@@H](C)C2 ZINC000048781312 822682883 /nfs/dbraw/zinc/68/28/83/822682883.db2.gz FQGPJFSNFFYKQE-INIZCTEOSA-N 1 0 394.515 4.437 20 0 GIADRO COCCC1(C[NH2+][C@@H](C)C(=O)Nc2ccc(OC(F)F)cc2)CCCCC1 ZINC000184728847 822682998 /nfs/dbraw/zinc/68/29/98/822682998.db2.gz SNNPCCTYMBIWHW-HNNXBMFYSA-N 1 0 384.467 4.192 20 0 GIADRO O=C(c1ccncc1)N1CCC([NH2+]Cc2ccc(-c3ccc(Cl)cc3)o2)CC1 ZINC000048785440 822683108 /nfs/dbraw/zinc/68/31/08/822683108.db2.gz GVRYKNOBDISEMR-UHFFFAOYSA-N 1 0 395.890 4.389 20 0 GIADRO C[C@@H](CC(=O)N1CCC[N@@H+](C2CCCC2)CC1)C(=O)c1ccc(Cl)cc1 ZINC000180446895 822683605 /nfs/dbraw/zinc/68/36/05/822683605.db2.gz YENSVMDDLJAKHT-INIZCTEOSA-N 1 0 376.928 4.026 20 0 GIADRO C[C@H](CC(=O)N1CCC[N@@H+](C2CCCC2)CC1)C(=O)c1ccc(Cl)cc1 ZINC000180446913 822683653 /nfs/dbraw/zinc/68/36/53/822683653.db2.gz YENSVMDDLJAKHT-MRXNPFEDSA-N 1 0 376.928 4.026 20 0 GIADRO CC(=O)Nc1cccc(OCC[NH2+][C@H](C)c2cc(C)ccc2OC(F)F)c1 ZINC000180447287 822683828 /nfs/dbraw/zinc/68/38/28/822683828.db2.gz NMPNHXUCFXEFCX-CQSZACIVSA-N 1 0 378.419 4.284 20 0 GIADRO COc1cc(Cl)cc(C[NH+]2CCC(OCc3ccc(F)cc3)CC2)c1O ZINC000184735426 822683924 /nfs/dbraw/zinc/68/39/24/822683924.db2.gz WNPPAYCCICFZLB-UHFFFAOYSA-N 1 0 379.859 4.375 20 0 GIADRO CC(=O)Nc1cccc(OCC[NH2+][C@H](C)c2cccc(-c3ccncc3)c2)c1 ZINC000180449820 822684287 /nfs/dbraw/zinc/68/42/87/822684287.db2.gz JRVZZRYCLSAEDX-QGZVFWFLSA-N 1 0 375.472 4.437 20 0 GIADRO O[C@H](C[NH2+]Cc1ccccc1Br)c1cccc(Br)c1 ZINC000048820580 822684476 /nfs/dbraw/zinc/68/44/76/822684476.db2.gz VRVLNSFSALZWSO-OAHLLOKOSA-N 1 0 385.099 4.035 20 0 GIADRO CC(=O)Nc1cccc(OCC[NH2+][C@H](C)c2cccc(OC(F)(F)F)c2)c1 ZINC000180450197 822684505 /nfs/dbraw/zinc/68/45/05/822684505.db2.gz UMFFITNSGZXCDA-CYBMUJFWSA-N 1 0 382.382 4.273 20 0 GIADRO COC(=O)Nc1cc(NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)ccc1F ZINC000184743568 822684902 /nfs/dbraw/zinc/68/49/02/822684902.db2.gz AAZHUWNAAIWQRK-UHFFFAOYSA-N 1 0 399.466 4.245 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+]CCOc2ccc(Br)cc2)s1 ZINC000180451774 822684940 /nfs/dbraw/zinc/68/49/40/822684940.db2.gz WTXYLUGIFQTWTI-LBPRGKRZSA-N 1 0 399.354 4.133 20 0 GIADRO Cc1cc(C)c(NC(=O)CNC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)c(C)c1 ZINC000184743056 822684980 /nfs/dbraw/zinc/68/49/80/822684980.db2.gz QXCOVFIMPHUGOI-SFTDATJTSA-N 1 0 393.575 4.297 20 0 GIADRO CC(C)(C)OC(=O)NCCCOC1CC[NH+](Cc2coc3ccccc23)CC1 ZINC000180472477 822687941 /nfs/dbraw/zinc/68/79/41/822687941.db2.gz RJOQSWNJVNQBRP-UHFFFAOYSA-N 1 0 388.508 4.329 20 0 GIADRO O=C(Cc1csc(-c2ccc(Cl)cc2Cl)n1)NNc1cc[nH+]cc1 ZINC000180478216 822688605 /nfs/dbraw/zinc/68/86/05/822688605.db2.gz CMUSRGYUJIQDCF-UHFFFAOYSA-N 1 0 379.272 4.198 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+]Cc2sccc2Br)s1 ZINC000180481090 822689011 /nfs/dbraw/zinc/68/90/11/822689011.db2.gz PWKUPQOBMSHCEL-VIFPVBQESA-N 1 0 375.357 4.315 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H](c1ccccc1)C(F)F ZINC000455641016 822689293 /nfs/dbraw/zinc/68/92/93/822689293.db2.gz HFBHPVHBKKFWBO-UXPWSPDFSA-N 1 0 387.474 4.203 20 0 GIADRO COc1ccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)cc1OC(F)F ZINC000180506073 822692822 /nfs/dbraw/zinc/69/28/22/822692822.db2.gz HGUJWRWAXIRHLI-CABCVRRESA-N 1 0 383.460 4.446 20 0 GIADRO COc1cccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)c1OC(F)F ZINC000180505600 822692835 /nfs/dbraw/zinc/69/28/35/822692835.db2.gz BVKLQJUXMHMFMZ-CABCVRRESA-N 1 0 383.460 4.446 20 0 GIADRO COc1ccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cccs2)cc1OC(F)F ZINC000180506094 822692888 /nfs/dbraw/zinc/69/28/88/822692888.db2.gz HGUJWRWAXIRHLI-GJZGRUSLSA-N 1 0 383.460 4.446 20 0 GIADRO Cn1cc(C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2cccs2)c(-c2cccnc2)n1 ZINC000180508652 822693515 /nfs/dbraw/zinc/69/35/15/822693515.db2.gz FRGMUWWPFRWNSX-PMACEKPBSA-N 1 0 396.560 4.412 20 0 GIADRO CS(=O)(=O)c1cccc([C@@H]([NH2+]C[C@@H]2CCc3ccccc32)c2ccccc2)c1 ZINC000180517403 822694854 /nfs/dbraw/zinc/69/48/54/822694854.db2.gz MBOREFYIYCAWTB-URXFXBBRSA-N 1 0 391.536 4.499 20 0 GIADRO CS(=O)(=O)c1cccc([C@H]([NH2+]C[C@H]2CCc3ccccc32)c2ccccc2)c1 ZINC000180517418 822695000 /nfs/dbraw/zinc/69/50/00/822695000.db2.gz MBOREFYIYCAWTB-ZJSXRUAMSA-N 1 0 391.536 4.499 20 0 GIADRO O=C(Nc1cc2c(cn1)CCC2)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000455667425 822695686 /nfs/dbraw/zinc/69/56/86/822695686.db2.gz DVPVSGSFFIFWBB-UHFFFAOYSA-N 1 0 390.531 4.090 20 0 GIADRO CC(C)CC[NH+]1CCC(CNC(=O)N(C)Cc2cc(F)c(F)c(F)c2)CC1 ZINC000180525725 822696235 /nfs/dbraw/zinc/69/62/35/822696235.db2.gz HIMSMNHKMHLQNI-UHFFFAOYSA-N 1 0 385.474 4.003 20 0 GIADRO Cc1ccc(NC(=O)c2csc(Cc3cccc(F)c3)n2)c(C[NH+](C)C)c1 ZINC000180531086 822697415 /nfs/dbraw/zinc/69/74/15/822697415.db2.gz BUWIPXPFGUCFBP-UHFFFAOYSA-N 1 0 383.492 4.495 20 0 GIADRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CCc3cccc(C(N)=O)c3)s2)cc1 ZINC000180534595 822697877 /nfs/dbraw/zinc/69/78/77/822697877.db2.gz XFJDQUSWEKUJDC-AWEZNQCLSA-N 1 0 395.528 4.119 20 0 GIADRO Cc1cc(Br)c(F)cc1NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000184837860 822697957 /nfs/dbraw/zinc/69/79/57/822697957.db2.gz YLIDGCCPFPDKGA-UHFFFAOYSA-N 1 0 398.320 4.425 20 0 GIADRO C[C@H]([NH2+]C[C@@H](c1cccc(Cl)c1)N1CCOCC1)c1ccc(Cl)nc1 ZINC000180536225 822698259 /nfs/dbraw/zinc/69/82/59/822698259.db2.gz KBSGABHHHLHSJK-KSSFIOAISA-N 1 0 380.319 4.113 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)Nc2ccc([C@@H]3CCOC3)cc2)c1 ZINC000455679536 822698886 /nfs/dbraw/zinc/69/88/86/822698886.db2.gz ZWQPRTHBZAHKFF-OAQYLSRUSA-N 1 0 381.520 4.354 20 0 GIADRO O=C(Nc1ccc([C@@H]2CCOC2)cc1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000455679562 822699105 /nfs/dbraw/zinc/69/91/05/822699105.db2.gz ZZKMBXQKENMYPA-TZIWHRDSSA-N 1 0 385.552 4.310 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(C2CCC2)cn1 ZINC000455684349 822700299 /nfs/dbraw/zinc/70/02/99/822700299.db2.gz ZQXYUIBBGJYOCV-IBGZPJMESA-N 1 0 378.520 4.335 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)Nc1cncc(Cl)c1C)[NH+]1CCCC1 ZINC000455687733 822701784 /nfs/dbraw/zinc/70/17/84/822701784.db2.gz QDVOOWBAOBJMQC-SFHVURJKSA-N 1 0 388.899 4.011 20 0 GIADRO COCC[C@](C)(O)C[NH2+][C@@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC000180557854 822702020 /nfs/dbraw/zinc/70/20/20/822702020.db2.gz VKAVZYYIXYFUMV-MOPGFXCFSA-N 1 0 396.300 4.055 20 0 GIADRO Cc1cccnc1/C=C/C(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000184860518 822702092 /nfs/dbraw/zinc/70/20/92/822702092.db2.gz RURYYWCIUWDLDU-ZHACJKMWSA-N 1 0 391.437 4.012 20 0 GIADRO CCc1noc(-c2ccc(CC[NH2+][C@@H](C)c3cccc(NC(C)=O)c3)cc2)n1 ZINC000180560979 822702777 /nfs/dbraw/zinc/70/27/77/822702777.db2.gz MRYHVCKSPOKUFR-HNNXBMFYSA-N 1 0 378.476 4.151 20 0 GIADRO COc1cc(OC)c(OC)cc1C[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000184883383 822706586 /nfs/dbraw/zinc/70/65/86/822706586.db2.gz OUBCWDOTCGYICT-NSHDSACASA-N 1 0 396.281 4.031 20 0 GIADRO O=C(Nc1nc(CC(F)(F)F)cs1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000455706242 822708166 /nfs/dbraw/zinc/70/81/66/822708166.db2.gz UPDVGQGNRPWUBU-HNNXBMFYSA-N 1 0 398.454 4.207 20 0 GIADRO C[N@@H+]1CCCC[C@@H]1CCSc1nnc(-c2cccnc2)n1Cc1ccccc1 ZINC000049775734 822708916 /nfs/dbraw/zinc/70/89/16/822708916.db2.gz BUUGILRYVHJHJH-HXUWFJFHSA-N 1 0 393.560 4.355 20 0 GIADRO CCOc1cccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c1OC(F)F ZINC000180601702 822709189 /nfs/dbraw/zinc/70/91/89/822709189.db2.gz FGVKLCISVNFNGV-CVEARBPZSA-N 1 0 381.419 4.368 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cncc(Cl)c1C ZINC000455709036 822709237 /nfs/dbraw/zinc/70/92/37/822709237.db2.gz HSPSBLTZNCENBQ-SFHVURJKSA-N 1 0 386.927 4.419 20 0 GIADRO C[C@H]([NH2+]C[C@H](O)Cc1ccccc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000180602880 822709449 /nfs/dbraw/zinc/70/94/49/822709449.db2.gz YJCXQDMEKHXZNF-GAJHUEQPSA-N 1 0 392.474 4.332 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)N(C)[C@@H]1CCc2ccccc21)[NH+]1CCCC1 ZINC000049790092 822709551 /nfs/dbraw/zinc/70/95/51/822709551.db2.gz WJBJFZSCXUIELI-FGZHOGPDSA-N 1 0 393.531 4.161 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)NCc3ccc(C(F)F)cc3)c2)CC1 ZINC000184897195 822709568 /nfs/dbraw/zinc/70/95/68/822709568.db2.gz CKJPYRXEBKAXMT-UHFFFAOYSA-N 1 0 388.462 4.088 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)N3CCC(c4ccccc4)CC3)c2)CC1 ZINC000184898070 822709611 /nfs/dbraw/zinc/70/96/11/822709611.db2.gz PBDALJPIMBQPRI-UHFFFAOYSA-N 1 0 392.547 4.240 20 0 GIADRO CC1CC[NH+]([C@@H](CNC(=O)N2CCC[C@@H]2c2ccncc2)c2cccs2)CC1 ZINC000049790407 822709685 /nfs/dbraw/zinc/70/96/85/822709685.db2.gz ASKZJNYRPKKKDY-UXHICEINSA-N 1 0 398.576 4.463 20 0 GIADRO COc1ccccc1[C@H](CNC(=O)N(Cc1cccs1)C1CC1)[NH+]1CCCC1 ZINC000049790207 822709861 /nfs/dbraw/zinc/70/98/61/822709861.db2.gz JUCJXDANWXYJSP-FQEVSTJZSA-N 1 0 399.560 4.268 20 0 GIADRO C[NH+](C)[C@@H](CNC(=O)N(Cc1ccco1)Cc1ccco1)c1cccc(F)c1 ZINC000049798396 822710310 /nfs/dbraw/zinc/71/03/10/822710310.db2.gz XKFNZBNKLSFZSK-FQEVSTJZSA-N 1 0 385.439 4.026 20 0 GIADRO CCN(C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)[C@H](C)c1cccc(OC)c1 ZINC000049798223 822710322 /nfs/dbraw/zinc/71/03/22/822710322.db2.gz RBJPFNZTSDTEEI-IERDGZPVSA-N 1 0 387.499 4.230 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(N2CCCC2=O)cc1)c1ccc(Br)cc1O ZINC000184905283 822710926 /nfs/dbraw/zinc/71/09/26/822710926.db2.gz NJHDUULKWQVOII-CYBMUJFWSA-N 1 0 389.293 4.132 20 0 GIADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccccc1OCCF ZINC000455718009 822712419 /nfs/dbraw/zinc/71/24/19/822712419.db2.gz AZLTYOUHTBIIAA-HXUWFJFHSA-N 1 0 399.510 4.411 20 0 GIADRO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)Nc1nc(CC(F)(F)F)cs1 ZINC000455718942 822712660 /nfs/dbraw/zinc/71/26/60/822712660.db2.gz IHHTZFNZMOSTGS-OAHLLOKOSA-N 1 0 398.454 4.034 20 0 GIADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)Nc1ccc2c(c1)CCC2=O ZINC000455720626 822713311 /nfs/dbraw/zinc/71/33/11/822713311.db2.gz WRYIVFKRODVOCG-UHFFFAOYSA-N 1 0 385.533 4.253 20 0 GIADRO CC[C@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)c1ccc(Cl)cc1 ZINC000184922224 822713546 /nfs/dbraw/zinc/71/35/46/822713546.db2.gz CRVQMFKJCBELSF-IBGZPJMESA-N 1 0 378.925 4.121 20 0 GIADRO Cc1c(Br)cccc1C[N@H+]1CCC[C@H](c2nncn2C(C)C)C1 ZINC000180618663 822713602 /nfs/dbraw/zinc/71/36/02/822713602.db2.gz QGUSTENFFNYOMI-INIZCTEOSA-N 1 0 377.330 4.310 20 0 GIADRO COc1ccc([C@H]2CCCN2C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000050026779 822714882 /nfs/dbraw/zinc/71/48/82/822714882.db2.gz UPZXDHLWSXLQNV-FYYLOGMGSA-N 1 0 378.516 4.271 20 0 GIADRO O=C(NCc1cccc(OCC(F)(F)F)c1)c1cccc(C[NH+]2CCCC2)c1 ZINC000050032279 822715223 /nfs/dbraw/zinc/71/52/23/822715223.db2.gz FRRKDRAQFOPCBT-UHFFFAOYSA-N 1 0 392.421 4.154 20 0 GIADRO O=C(NCc1ccnc(Oc2ccccc2)c1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000050032153 822715255 /nfs/dbraw/zinc/71/52/55/822715255.db2.gz BSCRNKBBHKPGAM-QFIPXVFZSA-N 1 0 387.483 4.155 20 0 GIADRO Cc1ccc(NC(=O)C(C)C)cc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000050032028 822715282 /nfs/dbraw/zinc/71/52/82/822715282.db2.gz RDQDDCXBIYDPST-HXUWFJFHSA-N 1 0 393.531 4.440 20 0 GIADRO CCOc1ccc(NC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1F ZINC000050058120 822716450 /nfs/dbraw/zinc/71/64/50/822716450.db2.gz LISYUYRHGJSHCA-OAHLLOKOSA-N 1 0 391.512 4.320 20 0 GIADRO O=C(Nc1ccc(OCc2ccccc2F)cc1)N1CCC([NH+]2CCCC2)CC1 ZINC000050082826 822717897 /nfs/dbraw/zinc/71/78/97/822717897.db2.gz LATPWNIWCVUHHQ-UHFFFAOYSA-N 1 0 397.494 4.497 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1Cl)c1ccc(NC(=O)C2CC2)cc1 ZINC000184957104 822718238 /nfs/dbraw/zinc/71/82/38/822718238.db2.gz JBROALPCMGYKBZ-CWTRNNRKSA-N 1 0 376.859 4.212 20 0 GIADRO CCCn1ncc(NC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1C1CC1 ZINC000455745303 822718547 /nfs/dbraw/zinc/71/85/47/822718547.db2.gz CZBXYEQKOPEJMB-LJQANCHMSA-N 1 0 395.551 4.156 20 0 GIADRO CCCn1ncc(NC(=O)NC(C)(C)CC[NH+]2CCCCCC2)c1C1CC1 ZINC000455754836 822720242 /nfs/dbraw/zinc/72/02/42/822720242.db2.gz OOXAKPYCMPENPN-UHFFFAOYSA-N 1 0 375.561 4.337 20 0 GIADRO CCOc1ccc(Cl)c(NC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)c1 ZINC000455755392 822720359 /nfs/dbraw/zinc/72/03/59/822720359.db2.gz AVYPJNBDJDJZHI-UHFFFAOYSA-N 1 0 387.911 4.479 20 0 GIADRO CCCn1ncc(NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)c1C1CC1 ZINC000455758721 822720971 /nfs/dbraw/zinc/72/09/71/822720971.db2.gz SJJFKQGZCNIDKT-UHFFFAOYSA-N 1 0 395.551 4.299 20 0 GIADRO CC(=O)Nc1cccc(NC(=O)C[NH2+][C@H](Cc2ccccc2)c2cccs2)c1 ZINC000184979684 822721076 /nfs/dbraw/zinc/72/10/76/822721076.db2.gz KKRFFSNAFAVGNR-HXUWFJFHSA-N 1 0 393.512 4.219 20 0 GIADRO Cc1ccc(F)c(Br)c1NC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000455761361 822721636 /nfs/dbraw/zinc/72/16/36/822721636.db2.gz ZNLUADOOFRXDAY-AWEZNQCLSA-N 1 0 398.320 4.236 20 0 GIADRO CCc1cccc2c(C3CC[NH+](Cc4cc(-c5cnn(C)c5)no4)CC3)c[nH]c21 ZINC000184986285 822721979 /nfs/dbraw/zinc/72/19/79/822721979.db2.gz FPUGXKHFSFAGIU-UHFFFAOYSA-N 1 0 389.503 4.498 20 0 GIADRO O=C(c1ccc(C[N@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)cc1)N1CCCC1 ZINC000050231626 822722006 /nfs/dbraw/zinc/72/20/06/822722006.db2.gz CAUZUVXHWVIBQY-HSZRJFAPSA-N 1 0 396.506 4.243 20 0 GIADRO Cc1ccc([C@H](CNC(=O)N(C)C[C@H](C)c2nccs2)[NH+]2CCCC2)cc1 ZINC000184986578 822722211 /nfs/dbraw/zinc/72/22/11/822722211.db2.gz ZFAXZEZFFXJJIQ-HKUYNNGSSA-N 1 0 386.565 4.034 20 0 GIADRO Cc1nc(C)c([C@@H](C)[NH2+][C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)s1 ZINC000184995809 822723180 /nfs/dbraw/zinc/72/31/80/822723180.db2.gz BJCUMRQLGVZGAE-BXUZGUMPSA-N 1 0 383.439 4.235 20 0 GIADRO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CCCc1nc(-c2cccs2)no1 ZINC000050273963 822723279 /nfs/dbraw/zinc/72/32/79/822723279.db2.gz RDPUKTUJASKANQ-HNNXBMFYSA-N 1 0 394.504 4.004 20 0 GIADRO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CCCc1nc(-c2cccs2)no1 ZINC000050273964 822723334 /nfs/dbraw/zinc/72/33/34/822723334.db2.gz RDPUKTUJASKANQ-OAHLLOKOSA-N 1 0 394.504 4.004 20 0 GIADRO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@@H]2CCSc3c(F)cccc32)cc1 ZINC000185004642 822724328 /nfs/dbraw/zinc/72/43/28/822724328.db2.gz HFGCTEHVDTWNRB-KBXCAEBGSA-N 1 0 379.522 4.123 20 0 GIADRO C[C@@H]([NH2+]Cc1cccc(N2CCCC2=O)c1)c1cc(Br)ccc1O ZINC000185019242 822726021 /nfs/dbraw/zinc/72/60/21/822726021.db2.gz DWYTUCDNJIHHDI-CYBMUJFWSA-N 1 0 389.293 4.132 20 0 GIADRO C[C@@H]([NH2+]Cc1ccnc(N2CCCCC2)c1)c1cc(Br)ccc1O ZINC000185054193 822729774 /nfs/dbraw/zinc/72/97/74/822729774.db2.gz UOJOIZNIKYUCJX-CQSZACIVSA-N 1 0 390.325 4.391 20 0 GIADRO CC(C)C(=O)c1ccc(NC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000455806653 822729909 /nfs/dbraw/zinc/72/99/09/822729909.db2.gz YLQJSSYENJDPLS-UHFFFAOYSA-N 1 0 394.519 4.301 20 0 GIADRO C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000185059220 822730712 /nfs/dbraw/zinc/73/07/12/822730712.db2.gz BNQJOFSJXXGHLF-HNNXBMFYSA-N 1 0 376.928 4.072 20 0 GIADRO CCCn1ncc(NC(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)c1C1CC1 ZINC000455820182 822731941 /nfs/dbraw/zinc/73/19/41/822731941.db2.gz BEBOMZZWZDCXBS-FQEVSTJZSA-N 1 0 395.551 4.347 20 0 GIADRO Cc1ccc(-c2cccc(C[NH2+]Cc3cnc(N4CCOCC4)c(F)c3)c2)cc1 ZINC000185076664 822733710 /nfs/dbraw/zinc/73/37/10/822733710.db2.gz HWLCNBCAUKWJGV-UHFFFAOYSA-N 1 0 391.490 4.323 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)Nc2ccc3c(ccnc3OC)c2)CC1 ZINC000455834915 822733945 /nfs/dbraw/zinc/73/39/45/822733945.db2.gz BTUYIRCJEYCPCW-UHFFFAOYSA-N 1 0 384.524 4.219 20 0 GIADRO CN(C[C@@H]1OCCc2ccccc21)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455836154 822734068 /nfs/dbraw/zinc/73/40/68/822734068.db2.gz ASZCLQSRSFQRLD-VXKWHMMOSA-N 1 0 379.504 4.013 20 0 GIADRO CC(C)c1ncsc1NC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000455837963 822734612 /nfs/dbraw/zinc/73/46/12/822734612.db2.gz AIWQEMLVQBPUJB-UHFFFAOYSA-N 1 0 388.537 4.063 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)c2cnn(-c3ccccc3)c2COC)c1 ZINC000185086374 822734916 /nfs/dbraw/zinc/73/49/16/822734916.db2.gz SPZMUTFAHSGHEU-UHFFFAOYSA-N 1 0 392.503 4.113 20 0 GIADRO C[C@H](CCOCc1ccccc1)NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455846433 822736150 /nfs/dbraw/zinc/73/61/50/822736150.db2.gz IKEITOVPVMCMOJ-VGSWGCGISA-N 1 0 381.520 4.352 20 0 GIADRO O=S1(=O)CCCN1c1cccc(C[NH2+]Cc2ccc(-c3ccccc3)cc2)c1 ZINC000185092847 822736160 /nfs/dbraw/zinc/73/61/60/822736160.db2.gz JOQGYWIHRZPOPA-UHFFFAOYSA-N 1 0 392.524 4.183 20 0 GIADRO O=C(Nc1ccc(Cl)cc1OCc1ccccc1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000455848142 822736485 /nfs/dbraw/zinc/73/64/85/822736485.db2.gz PBYLDXCBPQIXHP-IBGZPJMESA-N 1 0 397.906 4.397 20 0 GIADRO COc1cc(CCNC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)ccc1Cl ZINC000455849500 822736614 /nfs/dbraw/zinc/73/66/14/822736614.db2.gz KGHPULFFXIVFHN-IBGZPJMESA-N 1 0 387.911 4.262 20 0 GIADRO C[NH+](C)C1CCN(C(=O)Nc2ccc(Cl)cc2OCc2ccccc2)CC1 ZINC000455850149 822736727 /nfs/dbraw/zinc/73/67/27/822736727.db2.gz QYRILOCPGCJYEO-UHFFFAOYSA-N 1 0 387.911 4.477 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N[C@@H]3C[C@H]3c3cc(F)c(F)c(F)c3)ccc21 ZINC000455862405 822738913 /nfs/dbraw/zinc/73/89/13/822738913.db2.gz ROPWQYQRGBGHCP-KFKAGJAMSA-N 1 0 389.421 4.330 20 0 GIADRO C[C@](O)(C[NH2+]Cc1ccccc1OCc1cccnc1)c1cccc(Cl)c1 ZINC000185116283 822739186 /nfs/dbraw/zinc/73/91/86/822739186.db2.gz RRVARVZCWMWZIF-QFIPXVFZSA-N 1 0 382.891 4.311 20 0 GIADRO C[C@](O)(C[NH2+]Cc1cccc(OCc2ccccn2)c1)c1cccc(Cl)c1 ZINC000185120170 822739572 /nfs/dbraw/zinc/73/95/72/822739572.db2.gz OWKLZTVKCMNURX-QFIPXVFZSA-N 1 0 382.891 4.311 20 0 GIADRO Cc1ccc(S(=O)(=O)C[C@H](C)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)cc1 ZINC000185140261 822741801 /nfs/dbraw/zinc/74/18/01/822741801.db2.gz JFSUBTAFIJYPCM-OXJNMPFZSA-N 1 0 385.533 4.020 20 0 GIADRO CCCNC(=O)[C@H]1CCC[N@H+](Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000050995762 822743988 /nfs/dbraw/zinc/74/39/88/822743988.db2.gz BZTLSDDYRUJHJW-HNNXBMFYSA-N 1 0 377.941 4.202 20 0 GIADRO CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000051012962 822744016 /nfs/dbraw/zinc/74/40/16/822744016.db2.gz UJMHTKPEWYSXAY-MRXNPFEDSA-N 1 0 397.544 4.360 20 0 GIADRO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000051060030 822745358 /nfs/dbraw/zinc/74/53/58/822745358.db2.gz BXLCLGBSOUCALB-NRFANRHFSA-N 1 0 393.531 4.067 20 0 GIADRO COc1ccccc1C[C@H]1CCCN1C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455902869 822745419 /nfs/dbraw/zinc/74/54/19/822745419.db2.gz GKUSGDVVIBATSD-IRLDBZIGSA-N 1 0 393.531 4.483 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N(CCO)[C@H]3CCCc4ccccc43)ccc21 ZINC000455905440 822746034 /nfs/dbraw/zinc/74/60/34/822746034.db2.gz HNLGIFKWGAWQIN-PKTZIBPZSA-N 1 0 393.531 4.139 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N(CCO)[C@@H]3CCCc4ccccc43)ccc21 ZINC000455905438 822746036 /nfs/dbraw/zinc/74/60/36/822746036.db2.gz HNLGIFKWGAWQIN-DHIUTWEWSA-N 1 0 393.531 4.139 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCc3cccc(OC(F)F)c3)ccc21 ZINC000455905345 822746107 /nfs/dbraw/zinc/74/61/07/822746107.db2.gz HIASOWKOLNSZQY-GOSISDBHSA-N 1 0 375.419 4.159 20 0 GIADRO COc1ccc(OC)c([C@@H](O)C[N@@H+]2CCC[C@H](c3nc4ccccc4s3)C2)c1 ZINC000051124253 822746884 /nfs/dbraw/zinc/74/68/84/822746884.db2.gz XOZMGYOZEGNJKC-KXBFYZLASA-N 1 0 398.528 4.227 20 0 GIADRO C[C@H](C(=O)Nc1c(F)cccc1F)[N@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132878 822747254 /nfs/dbraw/zinc/74/72/54/822747254.db2.gz NVYSFYCPNDHFLY-LDBYXDLTSA-N 1 0 388.458 4.392 20 0 GIADRO C[N@@H+](Cc1nc(-c2ccc(F)cc2)no1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133702 822747719 /nfs/dbraw/zinc/74/77/19/822747719.db2.gz CWYQLBDVQNEMAJ-WIYYLYMNSA-N 1 0 381.451 4.475 20 0 GIADRO CCN(C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)[C@H](COC)Cc1ccccc1 ZINC000455916839 822748875 /nfs/dbraw/zinc/74/88/75/822748875.db2.gz KOJHFYBZNWLYRG-JTHBVZDNSA-N 1 0 395.547 4.347 20 0 GIADRO C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185207075 822749498 /nfs/dbraw/zinc/74/94/98/822749498.db2.gz KJSNRPKYGPFYCE-MCIONIFRSA-N 1 0 375.340 4.239 20 0 GIADRO CCCOc1c(Cl)cc(C[NH2+]CC(=O)Nc2cccc(F)c2)cc1OC ZINC000051188856 822749892 /nfs/dbraw/zinc/74/98/92/822749892.db2.gz BESFOSIQZQBZFL-UHFFFAOYSA-N 1 0 380.847 4.005 20 0 GIADRO CO[C@H](CNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)c1cccc(Cl)c1 ZINC000455925165 822750471 /nfs/dbraw/zinc/75/04/71/822750471.db2.gz MXGDJBUVXIOTGG-VQTJNVASSA-N 1 0 387.911 4.398 20 0 GIADRO CN(C)c1cc[nH+]cc1CNc1cccc(C[S@@](=O)Cc2ccccc2)c1 ZINC000185220089 822750695 /nfs/dbraw/zinc/75/06/95/822750695.db2.gz PVSPJMHWVWODLZ-MHZLTWQESA-N 1 0 379.529 4.209 20 0 GIADRO Cc1oc(-c2cccs2)nc1C[NH2+][C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000185219378 822750749 /nfs/dbraw/zinc/75/07/49/822750749.db2.gz LVKCZDRLGPMSFZ-HNNXBMFYSA-N 1 0 377.510 4.104 20 0 GIADRO C[C@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455931759 822751856 /nfs/dbraw/zinc/75/18/56/822751856.db2.gz PNNQMBVPOXKCCQ-RBQRDFNRSA-N 1 0 379.504 4.091 20 0 GIADRO COc1ccc([C@@H]2CCN(C(=O)Nc3ccc4c(c3)CC[C@@H]4[NH+](C)C)C2)cc1 ZINC000455933985 822752448 /nfs/dbraw/zinc/75/24/48/822752448.db2.gz QWWXHQSTLFGRJL-GCJKJVERSA-N 1 0 379.504 4.266 20 0 GIADRO CC[C@@H](NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)c1ccc2c(c1)OCCO2 ZINC000455935066 822752700 /nfs/dbraw/zinc/75/27/00/822752700.db2.gz RGDDHXJUYDXFTG-WOJBJXKFSA-N 1 0 395.503 4.280 20 0 GIADRO CCCC(=O)Nc1ccc(CNC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)cc1 ZINC000455936414 822752956 /nfs/dbraw/zinc/75/29/56/822752956.db2.gz RUCSZTKHXZIKOX-NRFANRHFSA-N 1 0 394.519 4.296 20 0 GIADRO COCc1nc2cc(NC(=O)Nc3ccc4c(c3)CC[C@@H]4[NH+](C)C)ccc2o1 ZINC000455941364 822754030 /nfs/dbraw/zinc/75/40/30/822754030.db2.gz UMNRXXNFJUFAOS-SFHVURJKSA-N 1 0 380.448 4.167 20 0 GIADRO C[C@H](COc1ccc(F)cc1F)NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455941295 822754033 /nfs/dbraw/zinc/75/40/33/822754033.db2.gz UGJKZYGPZHLGCP-YJYMSZOUSA-N 1 0 389.446 4.103 20 0 GIADRO COCc1nc2cc(NC(=O)Nc3ccc4c(c3)CC[C@H]4[NH+](C)C)ccc2o1 ZINC000455941363 822754063 /nfs/dbraw/zinc/75/40/63/822754063.db2.gz UMNRXXNFJUFAOS-GOSISDBHSA-N 1 0 380.448 4.167 20 0 GIADRO C[C@H](COc1ccc(F)cc1F)NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455941281 822754111 /nfs/dbraw/zinc/75/41/11/822754111.db2.gz UGJKZYGPZHLGCP-BFUOFWGJSA-N 1 0 389.446 4.103 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)N2CCC[C@](C)(F)C2)CC1 ZINC000455946836 822755919 /nfs/dbraw/zinc/75/59/19/822755919.db2.gz QOVVFLNTZJVTCU-IBGZPJMESA-N 1 0 383.895 4.169 20 0 GIADRO CN(c1ccccc1)C1CCN(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC1 ZINC000455948845 822756352 /nfs/dbraw/zinc/75/63/52/822756352.db2.gz YKUXBUIJJFNCRU-HSZRJFAPSA-N 1 0 392.547 4.368 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(OCC2CC2)nc1)c1ccc(Br)cc1O ZINC000185262305 822756415 /nfs/dbraw/zinc/75/64/15/822756415.db2.gz JNUXJWMQGQQOEC-GFCCVEGCSA-N 1 0 377.282 4.189 20 0 GIADRO C[C@H]1CCN(C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)CCS1 ZINC000455949107 822756427 /nfs/dbraw/zinc/75/64/27/822756427.db2.gz VYMIHECBIVPXEX-AWEZNQCLSA-N 1 0 397.972 4.172 20 0 GIADRO C[C@H]1CCSCCN1C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000455950748 822756723 /nfs/dbraw/zinc/75/67/23/822756723.db2.gz YSSKZNFXMHFVCD-AWEZNQCLSA-N 1 0 397.972 4.172 20 0 GIADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)N2CCCC3(CC3)C2)CC1 ZINC000455951470 822756854 /nfs/dbraw/zinc/75/68/54/822756854.db2.gz ZRUUKXFRZIXFHJ-UHFFFAOYSA-N 1 0 377.916 4.221 20 0 GIADRO CC(C)(C)n1cc(C[NH2+]CCC2(C)OCCO2)c(-c2ccccc2Cl)n1 ZINC000185272407 822757729 /nfs/dbraw/zinc/75/77/29/822757729.db2.gz HJLFANIFQBKJRG-UHFFFAOYSA-N 1 0 377.916 4.201 20 0 GIADRO C[C@H]([NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1nc(C2CCCCC2)no1 ZINC000185273634 822757877 /nfs/dbraw/zinc/75/78/77/822757877.db2.gz DRHMONRQTCAQND-GJZGRUSLSA-N 1 0 378.517 4.025 20 0 GIADRO CC[NH+](CC)CCOC1CCN(C(=O)Nc2ccc(CCC(C)C)cn2)CC1 ZINC000455971389 822759328 /nfs/dbraw/zinc/75/93/28/822759328.db2.gz ZLKMKVCFZVICBJ-UHFFFAOYSA-N 1 0 390.572 4.025 20 0 GIADRO COCCC(C)(C)C[NH2+]Cc1csc(N(C(C)=O)c2ccc(C)cc2)n1 ZINC000185285686 822759635 /nfs/dbraw/zinc/75/96/35/822759635.db2.gz GENGYTAMGJBDHB-UHFFFAOYSA-N 1 0 375.538 4.288 20 0 GIADRO Cc1cc2cc([C@H](C)[NH2+]Cc3cccc(N4CCCS4(=O)=O)c3)oc2cc1C ZINC000185289776 822760235 /nfs/dbraw/zinc/76/02/35/822760235.db2.gz ZAVULCLGVJNFQY-KRWDZBQOSA-N 1 0 398.528 4.440 20 0 GIADRO CN(C(=O)Nc1cccc(C(F)(F)F)n1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000185289367 822760245 /nfs/dbraw/zinc/76/02/45/822760245.db2.gz GIBWSZUWTCDYHS-UHFFFAOYSA-N 1 0 392.425 4.229 20 0 GIADRO Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000174275697 822761240 /nfs/dbraw/zinc/76/12/40/822761240.db2.gz BEKVANYTIWMWOD-RTWAWAEBSA-N 1 0 397.588 4.468 20 0 GIADRO Cc1nc(-c2ccccc2)oc1C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000174281298 822762326 /nfs/dbraw/zinc/76/23/26/822762326.db2.gz IPCDUVLHMNACED-UHFFFAOYSA-N 1 0 389.499 4.292 20 0 GIADRO COc1ccc([C@H](C)[NH2+]C[C@@](C)(O)c2cccc(Cl)c2)cc1Cn1cccn1 ZINC000185307026 822763033 /nfs/dbraw/zinc/76/30/33/822763033.db2.gz AVFYPOLWZISMDX-KSFYIVLOSA-N 1 0 399.922 4.152 20 0 GIADRO CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000051531387 822764600 /nfs/dbraw/zinc/76/46/00/822764600.db2.gz XVJJNWYGAIOUIC-GBXCKJPGSA-N 1 0 394.559 4.258 20 0 GIADRO O=C1Nc2ccccc2C12CCC([NH2+][C@H]1CCO[C@@H](c3ccccc3)C1)CC2 ZINC000185335878 822767811 /nfs/dbraw/zinc/76/78/11/822767811.db2.gz FVXTZAPLTYCELR-DWAZJOGKSA-N 1 0 376.500 4.329 20 0 GIADRO C[NH+](C)CCN(Cc1ccccc1)C(=O)Nc1cccc(CC(F)(F)F)c1 ZINC000174305804 822768094 /nfs/dbraw/zinc/76/80/94/822768094.db2.gz UAJSITIKDINWJT-UHFFFAOYSA-N 1 0 379.426 4.387 20 0 GIADRO C[C@H](c1ccc(C(=O)NCc2ccc(CC[NH+](C)C)cc2)cc1)C(F)(F)F ZINC000456028345 822768386 /nfs/dbraw/zinc/76/83/86/822768386.db2.gz PSLAPXPBWRAZSS-OAHLLOKOSA-N 1 0 378.438 4.387 20 0 GIADRO C[C@@H](c1ccc(C(=O)NCc2ccc(CC[NH+](C)C)cc2)cc1)C(F)(F)F ZINC000456028334 822768388 /nfs/dbraw/zinc/76/83/88/822768388.db2.gz PSLAPXPBWRAZSS-HNNXBMFYSA-N 1 0 378.438 4.387 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)Nc1c(F)cccc1F)c1cccc(C(F)(F)F)c1 ZINC000185343353 822768735 /nfs/dbraw/zinc/76/87/35/822768735.db2.gz ROVACBOZUVMCCL-OAHLLOKOSA-N 1 0 387.352 4.408 20 0 GIADRO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OCC(F)F)cc2)c2ccc(F)cc2C1 ZINC000185350065 822769550 /nfs/dbraw/zinc/76/95/50/822769550.db2.gz ZBYYHBAPCTWFCP-HXUWFJFHSA-N 1 0 392.421 4.053 20 0 GIADRO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc3c(c2)CC(C)(C)O3)c2ccc(F)cc2C1 ZINC000185353459 822769978 /nfs/dbraw/zinc/76/99/78/822769978.db2.gz ZUZSTIUVQRFXHX-OAQYLSRUSA-N 1 0 382.479 4.122 20 0 GIADRO CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(OC(F)(F)F)c2)c2ccc(F)cc2C1 ZINC000185354246 822770173 /nfs/dbraw/zinc/77/01/73/822770173.db2.gz MXYWIBKVNJHZPF-LJQANCHMSA-N 1 0 396.384 4.307 20 0 GIADRO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC(F)F)c(F)c2)c2ccc(F)cc2C1 ZINC000185358151 822770841 /nfs/dbraw/zinc/77/08/41/822770841.db2.gz SBZXZMZEDXLGBT-GOSISDBHSA-N 1 0 396.384 4.149 20 0 GIADRO COc1ccc([C@H](NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c2ccc(F)cc2)cc1 ZINC000174324675 822771059 /nfs/dbraw/zinc/77/10/59/822771059.db2.gz IPPNSIAXDLASNG-SAWYMBPVSA-N 1 0 399.510 4.048 20 0 GIADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2ccc([C@@H](C)C(F)(F)F)cc2)cc1 ZINC000456061179 822772801 /nfs/dbraw/zinc/77/28/01/822772801.db2.gz RBDYUVXCAJPLCQ-AUUYWEPGSA-N 1 0 394.437 4.394 20 0 GIADRO C[C@@H](NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)c1ccc(-c2ccncc2)cc1 ZINC000174340798 822774743 /nfs/dbraw/zinc/77/47/43/822774743.db2.gz SIQKPVVEMNCODV-XXBNENTESA-N 1 0 392.547 4.470 20 0 GIADRO CCS[C@H]1CC[C@@H]([N@H+](C)CC(=O)Nc2cc3c(cc2Cl)OCCCO3)C1 ZINC000174342100 822775021 /nfs/dbraw/zinc/77/50/21/822775021.db2.gz VLOAODXOOBWQGL-KGLIPLIRSA-N 1 0 398.956 4.046 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cccn2)cc1 ZINC000174376952 822780644 /nfs/dbraw/zinc/78/06/44/822780644.db2.gz ZPIQBGNQLTYRMI-HUUCEWRRSA-N 1 0 398.894 4.212 20 0 GIADRO COCOc1ccc(OC)cc1C[NH2+]C[C@H](O)c1ccc(-c2ccccc2)cc1 ZINC000185415378 822780786 /nfs/dbraw/zinc/78/07/86/822780786.db2.gz DLAIVYADEOTIRE-QHCPKHFHSA-N 1 0 393.483 4.168 20 0 GIADRO Cn1cc([C@@H]([NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)c2ccc(F)cc2)cn1 ZINC000185415344 822780896 /nfs/dbraw/zinc/78/08/96/822780896.db2.gz UJVBNORKFFNQRE-MOPGFXCFSA-N 1 0 394.277 4.279 20 0 GIADRO CC[NH+](CC)CCOc1ccc(C(=O)N2CC[C@H](C(F)(F)F)C[C@@H]2C)cc1 ZINC000456126856 822781325 /nfs/dbraw/zinc/78/13/25/822781325.db2.gz MVKJAROMTQZFGQ-RDJZCZTQSA-N 1 0 386.458 4.210 20 0 GIADRO COC(=O)CCc1ccc(NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000185421234 822781652 /nfs/dbraw/zinc/78/16/52/822781652.db2.gz ZXFKSCXLTWUIHI-UHFFFAOYSA-N 1 0 394.515 4.033 20 0 GIADRO CCc1cccc(C)c1NC(=O)C[N@H+](CC)CC1CCN(c2ccccn2)CC1 ZINC000174393413 822783165 /nfs/dbraw/zinc/78/31/65/822783165.db2.gz ZTNAYFKNSHWOIN-UHFFFAOYSA-N 1 0 394.563 4.129 20 0 GIADRO CC(C)[NH2+]C1CCN(C(=O)NCc2c(OC(C)C)ccc3ccccc32)CC1 ZINC000185437467 822783618 /nfs/dbraw/zinc/78/36/18/822783618.db2.gz WZMONACVMRZJDB-UHFFFAOYSA-N 1 0 383.536 4.299 20 0 GIADRO Cc1ccc2[nH]cc(CCC(=O)NC[C@H]3CCC[N@H+](Cc4cccs4)C3)c2c1 ZINC000174396015 822783770 /nfs/dbraw/zinc/78/37/70/822783770.db2.gz LAVIYXRYEJHVEI-GOSISDBHSA-N 1 0 395.572 4.499 20 0 GIADRO CN(Cc1coc(-c2cccc(F)c2)n1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174398681 822784197 /nfs/dbraw/zinc/78/41/97/822784197.db2.gz DMCZVIPLVGHFHO-IBGZPJMESA-N 1 0 379.479 4.435 20 0 GIADRO COc1ccc(C[NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)cc1OC ZINC000174401877 822784932 /nfs/dbraw/zinc/78/49/32/822784932.db2.gz USSHCMDVOQPMAX-GOSISDBHSA-N 1 0 391.895 4.205 20 0 GIADRO CN(Cc1csc(-c2ccccn2)n1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174405186 822785770 /nfs/dbraw/zinc/78/57/70/822785770.db2.gz HGKGFWUJVANHNP-LJQANCHMSA-N 1 0 378.545 4.159 20 0 GIADRO Cc1ccc([C@@H](C[NH2+]Cc2ccc(Oc3cnccn3)cc2)N2CCCC2)o1 ZINC000174415068 822787108 /nfs/dbraw/zinc/78/71/08/822787108.db2.gz GBDUEKMFSURPSS-HXUWFJFHSA-N 1 0 378.476 4.097 20 0 GIADRO CC(C)Oc1ccc([C@H](O)C[NH2+][C@@H](C)c2ccc(Br)cc2O)cc1 ZINC000185470721 822788003 /nfs/dbraw/zinc/78/80/03/822788003.db2.gz XNGGXSJORYIIAY-ORAYPTAESA-N 1 0 394.309 4.326 20 0 GIADRO CCSc1cccc(C[NH2+][C@H](C)c2ccc(OCC(=O)NC3CC3)cc2)c1 ZINC000185471280 822788123 /nfs/dbraw/zinc/78/81/23/822788123.db2.gz BPTCYSDPZXULBX-MRXNPFEDSA-N 1 0 384.545 4.307 20 0 GIADRO Cc1ccc(C(=O)NC(C)(C)CCC[NH+](C)C)cc1NC(=O)c1ccccc1F ZINC000456210386 822788295 /nfs/dbraw/zinc/78/82/95/822788295.db2.gz WUMPEMUOVAUCNL-UHFFFAOYSA-N 1 0 399.510 4.237 20 0 GIADRO O[C@@H](C[NH2+]Cc1ccc(Oc2cnccn2)cc1)c1c(Cl)cccc1Cl ZINC000174427232 822788567 /nfs/dbraw/zinc/78/85/67/822788567.db2.gz QAWNILDCDAEYPO-KRWDZBQOSA-N 1 0 390.270 4.399 20 0 GIADRO COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H]2CCC[C@@H](O)C2)cc1 ZINC000174429105 822788893 /nfs/dbraw/zinc/78/88/93/822788893.db2.gz IOJQUBKCAGJXLO-XMSQKQJNSA-N 1 0 391.515 4.189 20 0 GIADRO Cc1nc(-c2cccnc2)nc(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c1C ZINC000185487202 822789729 /nfs/dbraw/zinc/78/97/29/822789729.db2.gz AAWRZYKFHADTLB-KRWDZBQOSA-N 1 0 379.533 4.100 20 0 GIADRO CC(C)(C)[N@@H+]1CCCN(Cn2nc(C3CC3)n(-c3ccccc3)c2=S)CC1 ZINC000052087391 822790297 /nfs/dbraw/zinc/79/02/97/822790297.db2.gz KSLBWIFWGPUMTJ-UHFFFAOYSA-N 1 0 385.581 4.044 20 0 GIADRO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)CC1CCC(C(F)(F)F)CC1 ZINC000185492924 822790343 /nfs/dbraw/zinc/79/03/43/822790343.db2.gz UPRKQEMDCHQMMO-VQCLRJIVSA-N 1 0 377.472 4.452 20 0 GIADRO COC(=O)[C@H](C)Sc1ccccc1C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000456254348 822790523 /nfs/dbraw/zinc/79/05/23/822790523.db2.gz BPXAIAXKZAKHPX-LIRRHRJNSA-N 1 0 398.528 4.141 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)Cc3cscc3Br)ccc21 ZINC000456254101 822790537 /nfs/dbraw/zinc/79/05/37/822790537.db2.gz ALGDSJCPHKFMGK-MRXNPFEDSA-N 1 0 379.323 4.241 20 0 GIADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)c3ccc(OC[C@H]4CCCO4)cc3)ccc21 ZINC000456255985 822790565 /nfs/dbraw/zinc/79/05/65/822790565.db2.gz CHMCRUKPGXAIDD-IFMALSPDSA-N 1 0 380.488 4.046 20 0 GIADRO Cc1ccc(NC(=O)C2CC[NH+](CC3CCC(C(F)(F)F)CC3)CC2)nc1 ZINC000185497310 822790884 /nfs/dbraw/zinc/79/08/84/822790884.db2.gz GBJIXIXOYJUESA-UHFFFAOYSA-N 1 0 383.458 4.409 20 0 GIADRO Cc1nccn1CC[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccc(C)cc1 ZINC000052120020 822790956 /nfs/dbraw/zinc/79/09/56/822790956.db2.gz QSMVFDPZEHDJJC-UHFFFAOYSA-N 1 0 385.515 4.202 20 0 GIADRO Cc1cccc(C)c1NC(=O)CCC[NH+]1CCN([C@@H](C)c2ccsc2)CC1 ZINC000185498602 822791059 /nfs/dbraw/zinc/79/10/59/822791059.db2.gz OFTVTVXSZSMBAP-IBGZPJMESA-N 1 0 385.577 4.462 20 0 GIADRO C[C@@H]([C@H](C)[NH2+]CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)C1CCCCC1 ZINC000185500230 822791206 /nfs/dbraw/zinc/79/12/06/822791206.db2.gz WTJVINZVFGAULC-OALUTQOASA-N 1 0 399.579 4.058 20 0 GIADRO CCC[C@H]([NH2+]Cc1cc(O)cc(F)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000185507197 822791695 /nfs/dbraw/zinc/79/16/95/822791695.db2.gz LDSSKRGLXNLDNB-NRFANRHFSA-N 1 0 385.483 4.029 20 0 GIADRO CC1CCN(C(=O)C2CC[NH+](CCCOc3ccc(Cl)cc3)CC2)CC1 ZINC000052158613 822791803 /nfs/dbraw/zinc/79/18/03/822791803.db2.gz VCIZBZKKYNSOFT-UHFFFAOYSA-N 1 0 378.944 4.079 20 0 GIADRO CSCc1nc2ccccc2n1CC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000456268281 822792143 /nfs/dbraw/zinc/79/21/43/822792143.db2.gz JGTNRWZFQOWIRO-LJQANCHMSA-N 1 0 394.544 4.087 20 0 GIADRO C/C=C\c1ccc(OCC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)c(OC)c1 ZINC000456270776 822792184 /nfs/dbraw/zinc/79/21/84/822792184.db2.gz WINNANBSGOTFEL-PRPIBZDOSA-N 1 0 380.488 4.295 20 0 GIADRO COCCOc1ccc(Cl)cc1C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000456270301 822792258 /nfs/dbraw/zinc/79/22/58/822792258.db2.gz KGJAWNTXVMGUEJ-IBGZPJMESA-N 1 0 388.895 4.166 20 0 GIADRO Cc1ccc(C2(C(=O)Nc3ccc4c(c3)CC[C@H]4[NH+](C)C)CCOCC2)cc1 ZINC000456271197 822792373 /nfs/dbraw/zinc/79/23/73/822792373.db2.gz KPMBHHKKLHRDAV-JOCHJYFZSA-N 1 0 378.516 4.231 20 0 GIADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)CCCc3nnc(-c4ccccc4)o3)ccc21 ZINC000456273551 822792436 /nfs/dbraw/zinc/79/24/36/822792436.db2.gz LXUPALVKNXKHLO-FQEVSTJZSA-N 1 0 390.487 4.247 20 0 GIADRO Brc1cccc(-c2ccc(C[NH2+]CCCOC3CCOCC3)o2)c1 ZINC000174463117 822793519 /nfs/dbraw/zinc/79/35/19/822793519.db2.gz HSPALJFEMKUSGU-UHFFFAOYSA-N 1 0 394.309 4.384 20 0 GIADRO CC(=O)N[C@@H](CC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)c1ccc(Cl)cc1 ZINC000456283519 822793994 /nfs/dbraw/zinc/79/39/94/822793994.db2.gz STGNPULSCRICAS-SFTDATJTSA-N 1 0 399.922 4.095 20 0 GIADRO Cc1cc(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)nn1-c1cccc(F)c1 ZINC000456285645 822794324 /nfs/dbraw/zinc/79/43/24/822794324.db2.gz UZBKBDUJSQSQBW-NRFANRHFSA-N 1 0 378.451 4.121 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)CCN2c3ccccc3Sc3ccccc32)C1 ZINC000174473517 822794865 /nfs/dbraw/zinc/79/48/65/822794865.db2.gz PGPDJPWMOYTTHB-GOSISDBHSA-N 1 0 395.572 4.480 20 0 GIADRO CN(C)c1nc2sc(C(=O)Nc3ccc4c(c3)CC[C@H]4[NH+](C)C)cc2s1 ZINC000456291183 822794969 /nfs/dbraw/zinc/79/49/69/822794969.db2.gz YVGWYHNYNZFWDS-CQSZACIVSA-N 1 0 386.546 4.225 20 0 GIADRO COc1ccc(-c2nc(C[NH2+][C@@H](C)[C@H]3COc4ccccc43)cs2)c(OC)c1 ZINC000185546044 822795289 /nfs/dbraw/zinc/79/52/89/822795289.db2.gz VIMCRUSUAKJLBZ-IFXJQAMLSA-N 1 0 396.512 4.482 20 0 GIADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cccc(OCc3ccc(Cl)cc3)c2)C1 ZINC000174492245 822796245 /nfs/dbraw/zinc/79/62/45/822796245.db2.gz YZTKEYXYDNVDFK-GOSISDBHSA-N 1 0 386.923 4.333 20 0 GIADRO COCc1c2ccccc2oc1C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000456306177 822796357 /nfs/dbraw/zinc/79/63/57/822796357.db2.gz MWNGMUQFCWTFDH-GOSISDBHSA-N 1 0 392.499 4.173 20 0 GIADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000174500015 822797352 /nfs/dbraw/zinc/79/73/52/822797352.db2.gz MYWKHJIXWMIRBH-ZDUSSCGKSA-N 1 0 375.847 4.280 20 0 GIADRO CC(C)Cc1nnc(NC(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)s1 ZINC000174505320 822798154 /nfs/dbraw/zinc/79/81/54/822798154.db2.gz RCBIQNHRFNDGCA-CJNGLKHVSA-N 1 0 393.582 4.003 20 0 GIADRO C[C@H]1CN(C(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000456331694 822799218 /nfs/dbraw/zinc/79/92/18/822799218.db2.gz KMYMBHYYOGYBRR-BHIYHBOVSA-N 1 0 382.470 4.336 20 0 GIADRO C[C@](O)(C[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1)c1ccco1 ZINC000174530137 822801763 /nfs/dbraw/zinc/80/17/63/822801763.db2.gz SJDQJPWTAJFVQS-NRFANRHFSA-N 1 0 384.863 4.183 20 0 GIADRO O=C(c1cc(Cl)ccc1Br)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000174531014 822802006 /nfs/dbraw/zinc/80/20/06/822802006.db2.gz XTZAHHXYUHJUQX-ZDUSSCGKSA-N 1 0 385.733 4.051 20 0 GIADRO C[C@@](O)(C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccs1)c1ccco1 ZINC000174531895 822802099 /nfs/dbraw/zinc/80/20/99/822802099.db2.gz VGLJBFYFDWNCAB-JOCHJYFZSA-N 1 0 393.512 4.250 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1oc(-c2ccccc2)nc1C ZINC000174541526 822803113 /nfs/dbraw/zinc/80/31/13/822803113.db2.gz WUQMPBQOUYWAGS-UHFFFAOYSA-N 1 0 377.488 4.374 20 0 GIADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N[C@@H](CC(F)(F)F)c1ccccc1 ZINC000052557839 822803427 /nfs/dbraw/zinc/80/34/27/822803427.db2.gz BEHLTBXYPHBXRC-OALUTQOASA-N 1 0 393.453 4.152 20 0 GIADRO CCN(Cc1ccncc1)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000052582163 822804379 /nfs/dbraw/zinc/80/43/79/822804379.db2.gz USCMOICVUJGJKM-QFIPXVFZSA-N 1 0 380.536 4.086 20 0 GIADRO COCc1c(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)sc2cccc(F)c21 ZINC000174564423 822805621 /nfs/dbraw/zinc/80/56/21/822805621.db2.gz UQDOJYMOPBCPBH-OAHLLOKOSA-N 1 0 390.524 4.135 20 0 GIADRO O=C(c1cc(-c2ccco2)nc2ccccc21)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000174566465 822805839 /nfs/dbraw/zinc/80/58/39/822805839.db2.gz VWKVORSELJQRCL-SFHVURJKSA-N 1 0 389.499 4.443 20 0 GIADRO CCN(Cc1ccccc1)C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000052635774 822805842 /nfs/dbraw/zinc/80/58/42/822805842.db2.gz RYMJMPFSEICBBV-QFIPXVFZSA-N 1 0 381.520 4.064 20 0 GIADRO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cc(Cl)ccc2N2CCCCC2)CC[N@@H+]1C ZINC000174568435 822806141 /nfs/dbraw/zinc/80/61/41/822806141.db2.gz CRLCJCBVUNWDMI-WBVHZDCISA-N 1 0 378.948 4.277 20 0 GIADRO C[C@H]([NH2+]CC(=O)Nc1ccccc1Cc1ccccc1)[C@H]1COc2ccccc21 ZINC000185645072 822806153 /nfs/dbraw/zinc/80/61/53/822806153.db2.gz SPZHOMRFMZVTAD-PGRDOPGGSA-N 1 0 386.495 4.370 20 0 GIADRO CCc1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1c(C)nn(CC(F)(F)F)c1C ZINC000185654088 822807241 /nfs/dbraw/zinc/80/72/41/822807241.db2.gz BVOCPLGYAMZSHN-TZMCWYRMSA-N 1 0 396.457 4.302 20 0 GIADRO COc1ccc([C@H](CNC(=O)Nc2ccc(SC)cc2)[NH+]2CCCC2)cc1 ZINC000052711729 822808027 /nfs/dbraw/zinc/80/80/27/822808027.db2.gz CZJAVAVDCGEYNE-FQEVSTJZSA-N 1 0 385.533 4.376 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)CCc2ncc(C(C)(C)C)o2)cc1Cl ZINC000185678165 822809192 /nfs/dbraw/zinc/80/91/92/822809192.db2.gz UUXHANJHGMZUJH-UHFFFAOYSA-N 1 0 393.915 4.137 20 0 GIADRO Cc1ccc(-c2ncc(C[NH2+]C3CCC(O)(c4cccnc4)CC3)s2)cc1 ZINC000185689832 822810407 /nfs/dbraw/zinc/81/04/07/822810407.db2.gz BFCGYFSRSOWZHJ-UHFFFAOYSA-N 1 0 379.529 4.434 20 0 GIADRO CCOc1cccc(C[NH2+]C2CCC(O)(c3cccnc3)CC2)c1OC(F)F ZINC000185689327 822810474 /nfs/dbraw/zinc/81/04/74/822810474.db2.gz CJLPWKUBPNSNJW-UHFFFAOYSA-N 1 0 392.446 4.002 20 0 GIADRO CC1(C(=O)N[C@@H]2CCO[C@H](c3cccs3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000456498634 822810444 /nfs/dbraw/zinc/81/04/44/822810444.db2.gz FVXDUUHFWWKXNM-UXHICEINSA-N 1 0 398.572 4.387 20 0 GIADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)[N@H+](C)CCCc1ccccc1 ZINC000052802906 822810977 /nfs/dbraw/zinc/81/09/77/822810977.db2.gz FCDICYGCOHGZDK-HXUWFJFHSA-N 1 0 390.531 4.381 20 0 GIADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cccc(NC(=O)c2cccs2)c1 ZINC000052818785 822811749 /nfs/dbraw/zinc/81/17/49/822811749.db2.gz JMOOKNBLVZPGSG-MRXNPFEDSA-N 1 0 387.549 4.241 20 0 GIADRO C[C@@H](NCc1cn2cc(Cl)cc(Cl)c2n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185709159 822812600 /nfs/dbraw/zinc/81/26/00/822812600.db2.gz MVRFSJAEXJSTSS-KGLIPLIRSA-N 1 0 381.351 4.384 20 0 GIADRO CCC[C@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(C(F)(F)F)c1 ZINC000174617693 822813166 /nfs/dbraw/zinc/81/31/66/822813166.db2.gz RPWYQXZXUQOPMU-SQNIBIBYSA-N 1 0 383.458 4.425 20 0 GIADRO CC[NH+]1CCN(c2cccc(NC(=O)N3C[C@H](C)[C@H]3c3ccccc3)c2)CC1 ZINC000185714547 822813441 /nfs/dbraw/zinc/81/34/41/822813441.db2.gz GWRNAPKGMVKEMQ-AVRDEDQJSA-N 1 0 378.520 4.053 20 0 GIADRO C[C@H]([NH2+][C@H]1CCN(c2ncccc2Cl)C1)c1cc(Br)ccc1O ZINC000185717822 822813800 /nfs/dbraw/zinc/81/38/00/822813800.db2.gz GPPWKXUAWAAZGX-AAEUAGOBSA-N 1 0 396.716 4.133 20 0 GIADRO CC[NH+]1CCN(Cc2ccc(NC(=O)[C@H]3CCC[C@@H](C(F)(F)F)C3)cc2)CC1 ZINC000052877308 822813862 /nfs/dbraw/zinc/81/38/62/822813862.db2.gz SVIFRILWUHCIQC-ZWKOTPCHSA-N 1 0 397.485 4.131 20 0 GIADRO O=C(Nc1ccccc1-c1nc2ccccc2s1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000174628958 822814467 /nfs/dbraw/zinc/81/44/67/822814467.db2.gz PBEZRZMZTWFRHM-MRXNPFEDSA-N 1 0 390.512 4.441 20 0 GIADRO Cn1cc(C[NH2+][C@H]2CCCc3ccccc32)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000052916083 822815755 /nfs/dbraw/zinc/81/57/55/822815755.db2.gz WOELGQLYMAFBAB-NRFANRHFSA-N 1 0 389.499 4.416 20 0 GIADRO Cc1ccc(-n2ncc(C(=O)N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C)c2C2CC2)cc1Cl ZINC000174638073 822815924 /nfs/dbraw/zinc/81/59/24/822815924.db2.gz KSEIDECNFGWORH-AEFFLSMTSA-N 1 0 398.938 4.020 20 0 GIADRO CC(C)(C)OC(=O)CCCCC[NH2+]Cc1cnc2ccc(Br)cn12 ZINC000174643840 822816669 /nfs/dbraw/zinc/81/66/69/822816669.db2.gz WIRSLCRVTVMQQZ-UHFFFAOYSA-N 1 0 396.329 4.089 20 0 GIADRO C[C@H](NCC(=O)N(C)[C@@H](C)c1cc2ccccc2o1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185742828 822816778 /nfs/dbraw/zinc/81/67/78/822816778.db2.gz VRZBJGIKFGBQLP-CMKODMSKSA-N 1 0 397.563 4.195 20 0 GIADRO C[C@H](C(=O)N1CCC(C)CC1)[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000052993568 822817831 /nfs/dbraw/zinc/81/78/31/822817831.db2.gz UMCQDOZUXAADRC-OAHLLOKOSA-N 1 0 389.927 4.308 20 0 GIADRO CC(C)(C)Oc1ccc(C[NH2+]Cc2cccc(C(N)=O)c2)c(C(F)(F)F)c1 ZINC000174652853 822818131 /nfs/dbraw/zinc/81/81/31/822818131.db2.gz BHQWPKVDKBVZGX-UHFFFAOYSA-N 1 0 380.410 4.271 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000174653569 822818259 /nfs/dbraw/zinc/81/82/59/822818259.db2.gz MTBMNUSQICACMK-MRXNPFEDSA-N 1 0 397.485 4.110 20 0 GIADRO COc1ccc(S[C@H](C)C(=O)NCc2ccccc2C[N@H+](C)C(C)C)cc1 ZINC000053016754 822818723 /nfs/dbraw/zinc/81/87/23/822818723.db2.gz REUIVIDLCMCFPX-QGZVFWFLSA-N 1 0 386.561 4.332 20 0 GIADRO Cc1onc(-c2ccc(F)cc2)c1C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000053056192 822820149 /nfs/dbraw/zinc/82/01/49/822820149.db2.gz MNVYMHIDPNMKCB-IYBDPMFKSA-N 1 0 387.499 4.277 20 0 GIADRO CC[N@H+](CC(=O)N1CCc2[nH]c3ccccc3c2C1)[C@@H](C)c1ccc(F)cc1 ZINC000053088710 822821089 /nfs/dbraw/zinc/82/10/89/822821089.db2.gz CSXZZRVDXBSQQP-INIZCTEOSA-N 1 0 379.479 4.275 20 0 GIADRO CC[N@H+](CC(=O)NCC1(c2ccccc2)CCOCC1)[C@@H](C)c1ccc(F)cc1 ZINC000053088986 822821115 /nfs/dbraw/zinc/82/11/15/822821115.db2.gz HVJBAYJTNOJDEH-IBGZPJMESA-N 1 0 398.522 4.073 20 0 GIADRO CCCCn1c(SC[C@@H](O)c2ccc(C)cc2)nnc1[C@@H](CC)N(C)C ZINC000174668845 822821284 /nfs/dbraw/zinc/82/12/84/822821284.db2.gz LXKIJUMDPBGPQP-QZTJIDSGSA-N 1 0 376.570 4.225 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)c1cccc(COc2cccc(F)c2)c1 ZINC000456681160 822822171 /nfs/dbraw/zinc/82/21/71/822822171.db2.gz GLQQLZXKZJJEPZ-UHFFFAOYSA-N 1 0 382.479 4.151 20 0 GIADRO C[C@@H](C(=O)NC1CC[NH+](C2CCC2)CC1)c1cccc(C(=O)c2ccccc2)c1 ZINC000456681968 822822190 /nfs/dbraw/zinc/82/21/90/822822190.db2.gz IZEJQMGUIMLWHV-GOSISDBHSA-N 1 0 390.527 4.154 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)c2c(C)onc2-c2ccc(F)cc2)CC1 ZINC000053119955 822822581 /nfs/dbraw/zinc/82/25/81/822822581.db2.gz RZMFJPXTRDCEMI-UHFFFAOYSA-N 1 0 387.499 4.373 20 0 GIADRO CC(C)[NH+]1CCC(C(=O)Nc2cccc(COc3ccc4c(c3)OCO4)c2)CC1 ZINC000174682528 822822801 /nfs/dbraw/zinc/82/28/01/822822801.db2.gz YWOXVJJNDGVBRY-UHFFFAOYSA-N 1 0 396.487 4.053 20 0 GIADRO O=C(NC1CC[NH+](C2CCC2)CC1)c1cn(Cc2ccccc2)c2ccccc12 ZINC000456690334 822822991 /nfs/dbraw/zinc/82/29/91/822822991.db2.gz BVOYXKNVJTWSCT-UHFFFAOYSA-N 1 0 387.527 4.436 20 0 GIADRO Cc1nc(-c2ccc(C)cc2)c(CC(=O)NC2CC[NH+](C3CCC3)CC2)s1 ZINC000456700846 822824385 /nfs/dbraw/zinc/82/43/85/822824385.db2.gz OPERIQXHWSPVAJ-UHFFFAOYSA-N 1 0 383.561 4.103 20 0 GIADRO COc1ccc(C2(C(=O)NC3CC[NH+](C4CCC4)CC3)CC3(CCC3)C2)cc1 ZINC000456716749 822826328 /nfs/dbraw/zinc/82/63/28/822826328.db2.gz ALCHYMJSCLSGGM-UHFFFAOYSA-N 1 0 382.548 4.030 20 0 GIADRO CC(C)CN(C(=O)c1cccc(NC(=O)OC(C)(C)C)c1)C1CC[NH+](C)CC1 ZINC000053222537 822826661 /nfs/dbraw/zinc/82/66/61/822826661.db2.gz QXHDIEBVWXUDTM-UHFFFAOYSA-N 1 0 389.540 4.226 20 0 GIADRO COCc1c(C(=O)N(CC(C)C)C2CC[NH+](C)CC2)sc2cccc(F)c21 ZINC000053222471 822826679 /nfs/dbraw/zinc/82/66/79/822826679.db2.gz ITPOIISPANUSKY-UHFFFAOYSA-N 1 0 392.540 4.379 20 0 GIADRO COc1cc(C(=O)N(CC(C)C)C2CC[NH+](C)CC2)ccc1OC1CCCC1 ZINC000053232878 822827312 /nfs/dbraw/zinc/82/73/12/822827312.db2.gz CKDKWQUYBNHHMG-UHFFFAOYSA-N 1 0 388.552 4.209 20 0 GIADRO CN(C(=O)c1ncoc1-c1ccc(F)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000185858389 822827805 /nfs/dbraw/zinc/82/78/05/822827805.db2.gz VGQQVBSTKWDESI-UHFFFAOYSA-N 1 0 393.462 4.217 20 0 GIADRO CCn1cc([C@@H](C)NC(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)cn1 ZINC000456736991 822828050 /nfs/dbraw/zinc/82/80/50/822828050.db2.gz YFKVUHXTYJFIBZ-GOSISDBHSA-N 1 0 376.504 4.026 20 0 GIADRO CCC(=O)Nc1cccc(C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)c1 ZINC000053264848 822828214 /nfs/dbraw/zinc/82/82/14/822828214.db2.gz RYFPUQORCGNASS-UHFFFAOYSA-N 1 0 393.531 4.197 20 0 GIADRO Nc1c(Br)cc(Br)cc1C[NH2+]Cc1ccsc1 ZINC000185863932 822828213 /nfs/dbraw/zinc/82/82/13/822828213.db2.gz HOJIPQVWVKJQPI-UHFFFAOYSA-N 1 0 376.117 4.145 20 0 GIADRO COc1ccc(C[N@H+](C)CCC(=O)Nc2ccccc2C)cc1OC(F)F ZINC000174725263 822828748 /nfs/dbraw/zinc/82/87/48/822828748.db2.gz IBRRXGRGVSSESN-UHFFFAOYSA-N 1 0 378.419 4.066 20 0 GIADRO Cc1onc(-c2ccccc2Cl)c1C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000185886994 822830124 /nfs/dbraw/zinc/83/01/24/822830124.db2.gz BBTFFRAVBMSZBF-UHFFFAOYSA-N 1 0 375.900 4.155 20 0 GIADRO Cc1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c(Br)c1 ZINC000174755377 822832913 /nfs/dbraw/zinc/83/29/13/822832913.db2.gz DUVQDRGPXJUHPZ-CABCVRRESA-N 1 0 380.330 4.237 20 0 GIADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(C3SCCS3)cc2)C1 ZINC000053403833 822833350 /nfs/dbraw/zinc/83/33/50/822833350.db2.gz GWPYMZUCXZEFPC-OAHLLOKOSA-N 1 0 378.607 4.406 20 0 GIADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H](C)c2oc3ccc(OC)cc3c2C)C1 ZINC000174779794 822835931 /nfs/dbraw/zinc/83/59/31/822835931.db2.gz NPZQCINJWDENQC-DLBZAZTESA-N 1 0 387.524 4.184 20 0 GIADRO COc1ccc2oc([C@@H](C)NC(=O)N(C)CC[C@H]3CCCC[N@@H+]3C)c(C)c2c1 ZINC000174779986 822836005 /nfs/dbraw/zinc/83/60/05/822836005.db2.gz DTUUBAPFXKQPMB-IAGOWNOFSA-N 1 0 387.524 4.327 20 0 GIADRO Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)NCc2ccc(C[NH+](C)C)cc2)cc1 ZINC000174781825 822836299 /nfs/dbraw/zinc/83/62/99/822836299.db2.gz MSJKGVAHCYRRDK-XZOQPEGZSA-N 1 0 395.547 4.024 20 0 GIADRO CC(=O)Nc1ccc(NC(=O)C[NH2+][C@H](C)C2(c3ccccc3)CCCC2)cc1 ZINC000185956380 822836950 /nfs/dbraw/zinc/83/69/50/822836950.db2.gz JOEMLRNRJDCZHI-QGZVFWFLSA-N 1 0 379.504 4.074 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)NCc2ccccc2Sc2ccccc2)CC[N@@H+]1C ZINC000174793735 822837719 /nfs/dbraw/zinc/83/77/19/822837719.db2.gz UQYZWIXYANBYNS-PKOBYXMFSA-N 1 0 383.561 4.462 20 0 GIADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Nc1cc(F)ccc1OCC(F)(F)F ZINC000174794941 822837857 /nfs/dbraw/zinc/83/78/57/822837857.db2.gz BWOOBHWYXPKRGA-CQSZACIVSA-N 1 0 391.409 4.105 20 0 GIADRO CC(=O)Nc1ccc(F)c(C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)c1 ZINC000053513208 822838167 /nfs/dbraw/zinc/83/81/67/822838167.db2.gz DPDRAQBSACMVFT-INIZCTEOSA-N 1 0 397.494 4.089 20 0 GIADRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000053524237 822838763 /nfs/dbraw/zinc/83/87/63/822838763.db2.gz UGGWVLBEOLUUAQ-NRFANRHFSA-N 1 0 398.551 4.104 20 0 GIADRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1ccn(-c2ccc(F)cc2F)n1 ZINC000185967588 822838923 /nfs/dbraw/zinc/83/89/23/822838923.db2.gz IRJQACRURNEXSK-UHFFFAOYSA-N 1 0 396.441 4.307 20 0 GIADRO CC[N@@H+]1CCC[C@H]1CNC(=S)Nc1cccc(Cl)c1Oc1cccnc1 ZINC000053528261 822839303 /nfs/dbraw/zinc/83/93/03/822839303.db2.gz PVYYHEHLPMFPTB-AWEZNQCLSA-N 1 0 390.940 4.298 20 0 GIADRO CCOc1ccc(CN(C)C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000053540847 822839825 /nfs/dbraw/zinc/83/98/25/822839825.db2.gz IKQFGIOSLWHQHF-QFIPXVFZSA-N 1 0 381.520 4.064 20 0 GIADRO COc1ccc([C@@H](C)NC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1F ZINC000053548482 822840655 /nfs/dbraw/zinc/84/06/55/822840655.db2.gz OHHWBIKUVIHGRE-PBHICJAKSA-N 1 0 391.512 4.093 20 0 GIADRO C[C@@H]1C[C@H](N(C)C(=O)c2cc(COC(C)(C)C)on2)CC[N@@H+]1Cc1ccccc1 ZINC000185987859 822841485 /nfs/dbraw/zinc/84/14/85/822841485.db2.gz UCMYZDZFEKZFBT-IEBWSBKVSA-N 1 0 399.535 4.115 20 0 GIADRO NC(=O)c1ccc(-c2nc(C[N@@H+]3CCC[C@@H]3Cc3ccccc3)cs2)cc1 ZINC000053606451 822842485 /nfs/dbraw/zinc/84/24/85/822842485.db2.gz ZEDWXQLROLQONU-HXUWFJFHSA-N 1 0 377.513 4.116 20 0 GIADRO COC(=O)CC[C@H]([NH2+][C@H](C)c1ccc(Br)cc1O)c1ccccc1 ZINC000185999677 822842521 /nfs/dbraw/zinc/84/25/21/822842521.db2.gz COXIPLONBQKWIT-DYVFJYSZSA-N 1 0 392.293 4.500 20 0 GIADRO COc1ccc(O)c([C@H](C)[NH2+]CC2(c3ccccc3Cl)CCOCC2)c1 ZINC000186000285 822842614 /nfs/dbraw/zinc/84/26/14/822842614.db2.gz IDOXDLHBZNLBJN-HNNXBMFYSA-N 1 0 375.896 4.453 20 0 GIADRO CC1CC[NH+](Cc2ccc(NC(=O)c3cc(=O)c4ccccc4o3)cc2)CC1 ZINC000053618276 822843043 /nfs/dbraw/zinc/84/30/43/822843043.db2.gz FZOWRTXNJKOMKI-UHFFFAOYSA-N 1 0 376.456 4.277 20 0 GIADRO Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000186031260 822845438 /nfs/dbraw/zinc/84/54/38/822845438.db2.gz RGVFIFXFIJGMSN-LBPRGKRZSA-N 1 0 395.272 4.282 20 0 GIADRO C[C@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1ccccc1C(F)(F)F ZINC000186032431 822845579 /nfs/dbraw/zinc/84/55/79/822845579.db2.gz HGONNAQWHQHYEX-AWEZNQCLSA-N 1 0 398.450 4.096 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cccc(C[S@](C)=O)c2)cc1 ZINC000053720655 822845932 /nfs/dbraw/zinc/84/59/32/822845932.db2.gz PWJHROFPIAGQHU-CBZJRKILSA-N 1 0 384.545 4.192 20 0 GIADRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000053718519 822846104 /nfs/dbraw/zinc/84/61/04/822846104.db2.gz JWIJDRUEEJCXMT-UYAOXDASSA-N 1 0 386.430 4.200 20 0 GIADRO Cc1[nH]c2ccccc2c1C1CC[NH+](Cc2cc(=O)n3cc(C)ccc3n2)CC1 ZINC000053742963 822846780 /nfs/dbraw/zinc/84/67/80/822846780.db2.gz ILNQMSUMSHUTOF-UHFFFAOYSA-N 1 0 386.499 4.172 20 0 GIADRO Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)Nc2cccc(C[NH+](C)C)c2)cc1 ZINC000174868502 822848951 /nfs/dbraw/zinc/84/89/51/822848951.db2.gz HAMBSBFYIUNFFB-IFMALSPDSA-N 1 0 381.520 4.346 20 0 GIADRO CC(=O)Nc1ccc(F)c(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)c1 ZINC000053811357 822849161 /nfs/dbraw/zinc/84/91/61/822849161.db2.gz LSENKOUMXDPYNO-MRXNPFEDSA-N 1 0 397.494 4.089 20 0 GIADRO CN(C(=O)Cc1c(Cl)cccc1Cl)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457063118 822849245 /nfs/dbraw/zinc/84/92/45/822849245.db2.gz AZPNVRPJKPICEK-UHFFFAOYSA-N 1 0 397.268 4.411 20 0 GIADRO Cc1ccc(C(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)c(Cl)c1C ZINC000457064765 822849317 /nfs/dbraw/zinc/84/93/17/822849317.db2.gz GZDAUSIOPAQPJD-UHFFFAOYSA-N 1 0 376.850 4.446 20 0 GIADRO Cc1nc(CSc2ccc(C(=O)NCC[N@@H+]3CCCC3(C)C)cc2)cs1 ZINC000457069286 822849785 /nfs/dbraw/zinc/84/97/85/822849785.db2.gz FFHRCAVMSNTIOF-UHFFFAOYSA-N 1 0 389.590 4.348 20 0 GIADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc(C(C)C)s1 ZINC000186084316 822850267 /nfs/dbraw/zinc/85/02/67/822850267.db2.gz OWNHUHAFVSFQBC-UHFFFAOYSA-N 1 0 387.549 4.274 20 0 GIADRO CN(C(=O)Cc1cc2ccccc2s1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457075052 822850390 /nfs/dbraw/zinc/85/03/90/822850390.db2.gz VVYFMCTYVDEJBM-UHFFFAOYSA-N 1 0 384.467 4.319 20 0 GIADRO CCSc1cc(CNC(=O)NCc2ccccc2C[NH+](CC)CC)ccn1 ZINC000186091445 822850659 /nfs/dbraw/zinc/85/06/59/822850659.db2.gz UFWHNHYXJBKVJU-UHFFFAOYSA-N 1 0 386.565 4.035 20 0 GIADRO CN(C(=O)c1cccc(OC(F)(F)F)c1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457077716 822850651 /nfs/dbraw/zinc/85/06/51/822850651.db2.gz CXZVLNZTFBHIOZ-UHFFFAOYSA-N 1 0 398.347 4.074 20 0 GIADRO CN(C(=O)Cc1ccc(C(F)(F)F)cc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457080589 822850901 /nfs/dbraw/zinc/85/09/01/822850901.db2.gz GJLNDNCQZZNHFD-UHFFFAOYSA-N 1 0 396.375 4.123 20 0 GIADRO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000186100377 822851724 /nfs/dbraw/zinc/85/17/24/822851724.db2.gz QOHRTLKVSYINIX-ZIAGYGMSSA-N 1 0 387.423 4.098 20 0 GIADRO Cc1ccc(S[C@@H](C)C(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000457088625 822852163 /nfs/dbraw/zinc/85/21/63/822852163.db2.gz SCQIXHGJRGFQER-HNNXBMFYSA-N 1 0 388.499 4.351 20 0 GIADRO CC[C@H](Sc1ccccc1)C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457089993 822852333 /nfs/dbraw/zinc/85/23/33/822852333.db2.gz UPMISZWXBWYBMW-KRWDZBQOSA-N 1 0 388.499 4.433 20 0 GIADRO CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457089945 822852415 /nfs/dbraw/zinc/85/24/15/822852415.db2.gz UFJQLTUUZOYGPT-NXHRZFHOSA-N 1 0 392.506 4.236 20 0 GIADRO CN(C(=O)c1ccc(OC2CCC2)cc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457093583 822852820 /nfs/dbraw/zinc/85/28/20/822852820.db2.gz YDFTYBMXQIEFSK-UHFFFAOYSA-N 1 0 384.442 4.107 20 0 GIADRO CCN(CC)c1ccc(C(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000457094041 822852894 /nfs/dbraw/zinc/85/28/94/822852894.db2.gz ZDNJGVCQOIZZSC-UHFFFAOYSA-N 1 0 385.474 4.022 20 0 GIADRO COc1ccsc1[C@H](C)[NH2+]C[C@H](O)COc1cccc(Cl)c1Cl ZINC000186126122 822853882 /nfs/dbraw/zinc/85/38/82/822853882.db2.gz QHVXMJNAHBCCNL-QWRGUYRKSA-N 1 0 376.305 4.154 20 0 GIADRO C[C@H](Sc1ccccn1)C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000186129413 822854150 /nfs/dbraw/zinc/85/41/50/822854150.db2.gz JZYFJBUBQKWYQT-BBRMVZONSA-N 1 0 397.466 4.000 20 0 GIADRO OCCC[N@H+](Cc1ccc(Br)cn1)[C@H]1CCCc2ccccc21 ZINC000174908964 822854257 /nfs/dbraw/zinc/85/42/57/822854257.db2.gz GWELLCVMBFFQTJ-IBGZPJMESA-N 1 0 375.310 4.106 20 0 GIADRO Cc1csc([C@@H](NC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)C2CC2)n1 ZINC000174911405 822854570 /nfs/dbraw/zinc/85/45/70/822854570.db2.gz ZLPSQTZSYDULEL-MOPGFXCFSA-N 1 0 384.549 4.039 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1sc2ccccc2c1Cl ZINC000053990331 822855878 /nfs/dbraw/zinc/85/58/78/822855878.db2.gz PZQFTQYGTPTIHV-UHFFFAOYSA-N 1 0 385.920 4.344 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000053991187 822855977 /nfs/dbraw/zinc/85/59/77/822855977.db2.gz GZCJHIUZHLVGID-UHFFFAOYSA-N 1 0 383.495 4.047 20 0 GIADRO COc1cccc(F)c1NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000186153464 822856135 /nfs/dbraw/zinc/85/61/35/822856135.db2.gz HMEYQYTUATVMBN-FUHWJXTLSA-N 1 0 385.483 4.351 20 0 GIADRO CCc1nc(CN2CCC(C[NH2+][C@@H](C)c3sccc3OC)CC2)cs1 ZINC000186160340 822856867 /nfs/dbraw/zinc/85/68/67/822856867.db2.gz VAMKJBFDFBTBEN-AWEZNQCLSA-N 1 0 379.595 4.338 20 0 GIADRO C[N@H+](CCCCNC(=O)c1ccc(-n2ncc3ccccc32)cc1Cl)C1CC1 ZINC000457162452 822858292 /nfs/dbraw/zinc/85/82/92/822858292.db2.gz FUJABSXILGTCPB-UHFFFAOYSA-N 1 0 396.922 4.283 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1cc(Br)ccc1O)c1ccc(-n2ccnn2)cc1 ZINC000186183388 822858758 /nfs/dbraw/zinc/85/87/58/822858758.db2.gz GZAYXKMICUKMBH-CHWSQXEVSA-N 1 0 387.281 4.147 20 0 GIADRO CC[C@H](Cc1ccccc1Br)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000457176074 822859056 /nfs/dbraw/zinc/85/90/56/822859056.db2.gz YYDWJMQXFYJAOK-OAHLLOKOSA-N 1 0 381.358 4.008 20 0 GIADRO CCOc1ccc(C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1OCC ZINC000174943606 822859146 /nfs/dbraw/zinc/85/91/46/822859146.db2.gz KYKLITRUODPRFF-FQEVSTJZSA-N 1 0 396.531 4.078 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)/C=C/c1ccc2ccccc2n1 ZINC000174945133 822859305 /nfs/dbraw/zinc/85/93/05/822859305.db2.gz MLEGDEKIPRASGL-QZMUEMGWSA-N 1 0 385.511 4.229 20 0 GIADRO Cc1cc(C(=O)N2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)nn1C ZINC000457194500 822859924 /nfs/dbraw/zinc/85/99/24/822859924.db2.gz LELYZCMCMKVZNE-QHCPKHFHSA-N 1 0 394.563 4.026 20 0 GIADRO CCC[N@H+](C)C[C@@H]1CCN(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)C1 ZINC000174950351 822859967 /nfs/dbraw/zinc/85/99/67/822859967.db2.gz ROXCAUDYDORELL-LBPRGKRZSA-N 1 0 392.758 4.249 20 0 GIADRO O=C([C@H]1CCCOCC1)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457194639 822860067 /nfs/dbraw/zinc/86/00/67/822860067.db2.gz MRIXPPHWPHHQAP-ZEQRLZLVSA-N 1 0 398.591 4.487 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cc1ccccc1C(F)(F)F ZINC000174950619 822860113 /nfs/dbraw/zinc/86/01/13/822860113.db2.gz MKGRJCHZULLMKN-GOSISDBHSA-N 1 0 390.449 4.228 20 0 GIADRO Cc1cc(CC(=O)N2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)no1 ZINC000457197215 822860280 /nfs/dbraw/zinc/86/02/80/822860280.db2.gz UIKUEXBZZWERCB-HSZRJFAPSA-N 1 0 395.547 4.209 20 0 GIADRO C[C@@H]([NH2+]C1(CNC(=O)NC[C@H](C)c2nccs2)CCCC1)c1ccccc1 ZINC000186200003 822860313 /nfs/dbraw/zinc/86/03/13/822860313.db2.gz OIZARUPQUNKISQ-DLBZAZTESA-N 1 0 386.565 4.209 20 0 GIADRO C[N@H+](CCCCNC(=O)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1)C1CC1 ZINC000457202224 822860490 /nfs/dbraw/zinc/86/04/90/822860490.db2.gz NFWOKFOGZBQTMC-QZTJIDSGSA-N 1 0 383.561 4.337 20 0 GIADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000174955836 822860860 /nfs/dbraw/zinc/86/08/60/822860860.db2.gz ZMKSYSIJFFFMMG-VLCRHTCISA-N 1 0 382.935 4.424 20 0 GIADRO C[NH+](C)CC(C)(C)NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1 ZINC000457209600 822860922 /nfs/dbraw/zinc/86/09/22/822860922.db2.gz OLNHUEVTADZOPS-UHFFFAOYSA-N 1 0 386.348 4.116 20 0 GIADRO CN(C(=O)c1ncoc1-c1ccc(F)cc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000186206087 822860900 /nfs/dbraw/zinc/86/09/00/822860900.db2.gz UBGLWEXOSYFJBO-HXUWFJFHSA-N 1 0 393.462 4.217 20 0 GIADRO COc1ccccc1C[C@@H](C)CC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174963023 822861998 /nfs/dbraw/zinc/86/19/98/822861998.db2.gz LNWGJCIYSUFNKT-IRLDBZIGSA-N 1 0 394.559 4.244 20 0 GIADRO COc1ccccc1C[C@H](C)CC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174963040 822862036 /nfs/dbraw/zinc/86/20/36/822862036.db2.gz LNWGJCIYSUFNKT-RBBKRZOGSA-N 1 0 394.559 4.244 20 0 GIADRO Cc1ccc(NC(=O)COc2cccc(C(C)C)c2)cc1NC(=O)CC[NH+](C)C ZINC000186229071 822862861 /nfs/dbraw/zinc/86/28/61/822862861.db2.gz DNOAOGPECGGROT-UHFFFAOYSA-N 1 0 397.519 4.026 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(OC(F)F)c1 ZINC000174974994 822863235 /nfs/dbraw/zinc/86/32/35/822863235.db2.gz AJSHAWQQBDAWBZ-QGZVFWFLSA-N 1 0 389.446 4.274 20 0 GIADRO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H]1CCCOc2cc(Cl)ccc21 ZINC000186232915 822863265 /nfs/dbraw/zinc/86/32/65/822863265.db2.gz JVGPTPSKULMJBN-KDOFPFPSSA-N 1 0 379.909 4.006 20 0 GIADRO C[NH+]1CCC(NC(=O)c2sc3cccc(F)c3c2COc2ccccc2)CC1 ZINC000054147714 822864116 /nfs/dbraw/zinc/86/41/16/822864116.db2.gz WVJPRFIREPYKGS-UHFFFAOYSA-N 1 0 398.503 4.443 20 0 GIADRO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2C)C1 ZINC000174989785 822864664 /nfs/dbraw/zinc/86/46/64/822864664.db2.gz BXBOJFFNZMTHOR-FQEVSTJZSA-N 1 0 394.519 4.195 20 0 GIADRO CC(C)c1cc(NC(=O)NC2CC[NH+](C3CCC3)CC2)n(-c2ccccc2)n1 ZINC000568961668 822865403 /nfs/dbraw/zinc/86/54/03/822865403.db2.gz YHBKLERQRKNTBF-UHFFFAOYSA-N 1 0 381.524 4.134 20 0 GIADRO O=c1[nH]c(CC[N@@H+]2CCc3sccc3[C@@H]2c2cccs2)nc2ccccc21 ZINC000054172875 822865713 /nfs/dbraw/zinc/86/57/13/822865713.db2.gz BIFMAKYJEMJGGB-HXUWFJFHSA-N 1 0 393.537 4.236 20 0 GIADRO Cc1ccc(CCCC(=O)Nc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)s1 ZINC000186259516 822866125 /nfs/dbraw/zinc/86/61/25/822866125.db2.gz RZUYEYPLLMHTQH-UHFFFAOYSA-N 1 0 387.549 4.217 20 0 GIADRO Cc1ccc(NC(=O)Cc2ccc3ccccc3c2)cc1NC(=O)CC[NH+](C)C ZINC000186259908 822866225 /nfs/dbraw/zinc/86/62/25/822866225.db2.gz SQWKWFIDZYIXMX-UHFFFAOYSA-N 1 0 389.499 4.220 20 0 GIADRO Cc1c(COc2ccccc2)cccc1NC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000175007320 822866319 /nfs/dbraw/zinc/86/63/19/822866319.db2.gz LGGNSVRIHPKMPD-UHFFFAOYSA-N 1 0 379.504 4.322 20 0 GIADRO Cc1ccc(NC(=O)CC/C=C/c2ccccc2)cc1NC(=O)CC[NH+](C)C ZINC000186261980 822866466 /nfs/dbraw/zinc/86/64/66/822866466.db2.gz YMKABGDYACJDNQ-YRNVUSSQSA-N 1 0 379.504 4.317 20 0 GIADRO O=C(Nc1cccc(C[N@H+]2CC[C@@H](O)CC23CCC3)c1)c1ccc(Cl)cc1 ZINC000568973265 822866877 /nfs/dbraw/zinc/86/68/77/822866877.db2.gz NLVLJKAKEXXOQI-HXUWFJFHSA-N 1 0 384.907 4.472 20 0 GIADRO CC[C@H](C)NC(=O)c1ccc(NC(=O)c2ccc(C[NH+](CC)CC)cc2)cc1 ZINC000054194672 822867200 /nfs/dbraw/zinc/86/72/00/822867200.db2.gz YNMAIKBYJMIAEE-KRWDZBQOSA-N 1 0 381.520 4.309 20 0 GIADRO CC1CC[NH+](Cc2cccc(CNC(=O)N3CCC[C@H]3[C@@H]3CCCOC3)c2)CC1 ZINC000568980308 822867249 /nfs/dbraw/zinc/86/72/49/822867249.db2.gz GQEDDOZJJMVORF-PKTZIBPZSA-N 1 0 399.579 4.019 20 0 GIADRO Cc1ccc(NC(=O)COc2ccc(C(C)C)cc2)cc1NC(=O)CC[NH+](C)C ZINC000186267358 822867331 /nfs/dbraw/zinc/86/73/31/822867331.db2.gz AHBUDRQBGKYFCW-UHFFFAOYSA-N 1 0 397.519 4.026 20 0 GIADRO Cc1nc(-c2cc3c(s2)CCN(C(=O)[C@@H]([NH3+])c2ccc(C)cc2)C3)cs1 ZINC000568986075 822867559 /nfs/dbraw/zinc/86/75/59/822867559.db2.gz KGIUTCYLYGMTEJ-IBGZPJMESA-N 1 0 383.542 4.073 20 0 GIADRO COc1cncc(/C=C/CC[NH2+][C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)c1 ZINC000568997214 822868455 /nfs/dbraw/zinc/86/84/55/822868455.db2.gz JLFFFZBEGFHBHG-IYNGYCSASA-N 1 0 382.430 4.220 20 0 GIADRO Cc1oc(-c2cccs2)nc1CC(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000054224128 822869254 /nfs/dbraw/zinc/86/92/54/822869254.db2.gz UGDHNHFDNQJWMR-YJBOKZPZSA-N 1 0 395.528 4.206 20 0 GIADRO C[NH+](C)Cc1ccc(C(=O)N2CCCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)cn1 ZINC000457352011 822869476 /nfs/dbraw/zinc/86/94/76/822869476.db2.gz DSESBBILJKXFKN-IBGZPJMESA-N 1 0 397.910 4.040 20 0 GIADRO Cc1cc(C[N@@H+](C)[C@H](C)c2cccc(N3CCCS3(=O)=O)c2)c(C)s1 ZINC000186280739 822869667 /nfs/dbraw/zinc/86/96/67/822869667.db2.gz INWJDJLWRIRVFJ-OAHLLOKOSA-N 1 0 378.563 4.098 20 0 GIADRO COCc1c2ccccc2oc1C(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000054227261 822869800 /nfs/dbraw/zinc/86/98/00/822869800.db2.gz UWRGLMWAEOKAFC-AEFFLSMTSA-N 1 0 378.472 4.145 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)c2sccc2Br)CC1 ZINC000175025219 822869906 /nfs/dbraw/zinc/86/99/06/822869906.db2.gz FZBWVMJUVFFZRE-UHFFFAOYSA-N 1 0 393.350 4.247 20 0 GIADRO CC(C)c1nc([C@@H](C)[NH2+]C[C@@H](c2cccc(F)c2)N2CCOCC2)cs1 ZINC000186283391 822870166 /nfs/dbraw/zinc/87/01/66/822870166.db2.gz ONYUQEIGEKXJCP-BEFAXECRSA-N 1 0 377.529 4.130 20 0 GIADRO CSc1ccc(Cl)c(C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)c1 ZINC000457361529 822870170 /nfs/dbraw/zinc/87/01/70/822870170.db2.gz GYIPTDDMOZKOAA-QAPCUYQASA-N 1 0 378.900 4.158 20 0 GIADRO CSc1ccc(Cl)c(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)c1 ZINC000457361098 822870264 /nfs/dbraw/zinc/87/02/64/822870264.db2.gz GYIPTDDMOZKOAA-MAUKXSAKSA-N 1 0 378.900 4.158 20 0 GIADRO O=C1CCCN1[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000569021374 822870398 /nfs/dbraw/zinc/87/03/98/822870398.db2.gz WPVMZYXXUJPIFB-RKVPGOIHSA-N 1 0 381.442 4.001 20 0 GIADRO Cc1n[nH]cc1C1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)CC1 ZINC000569026277 822870807 /nfs/dbraw/zinc/87/08/07/822870807.db2.gz XZAOSYVNPPMLTR-UHFFFAOYSA-N 1 0 398.514 4.345 20 0 GIADRO Cc1nc(-c2ccccc2)sc1C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H]([NH3+])C1 ZINC000457380098 822871650 /nfs/dbraw/zinc/87/16/50/822871650.db2.gz OKRVFFBVTYRYAR-RBUKOAKNSA-N 1 0 395.503 4.215 20 0 GIADRO Cc1c(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)cccc1-c1ccccn1 ZINC000457383510 822871810 /nfs/dbraw/zinc/87/18/10/822871810.db2.gz QWIIIRAYCNBZTO-FCHUYYIVSA-N 1 0 389.474 4.153 20 0 GIADRO [NH3+][C@@H]1CN(C(=O)CC2CCC(C(F)(F)F)CC2)CC[C@@H]1c1ccc(F)cc1 ZINC000457383642 822871858 /nfs/dbraw/zinc/87/18/58/822871858.db2.gz QYZIUHFGSFPQBA-LVPSWPKJSA-N 1 0 386.433 4.228 20 0 GIADRO COc1ccc([C@H]2CCN(C(=O)c3cc(Cl)ccc3Cl)C[C@@H]2[NH3+])cc1F ZINC000457390412 822872400 /nfs/dbraw/zinc/87/24/00/822872400.db2.gz XJHGRURAJDVXIS-DYVFJYSZSA-N 1 0 397.277 4.098 20 0 GIADRO COc1ccc(C[C@](C)(O)C[NH2+][C@H](c2cc(F)ccc2F)C(C)C)cc1OC ZINC000569041064 822872519 /nfs/dbraw/zinc/87/25/19/822872519.db2.gz OKHCERSGKVOZAZ-VXKWHMMOSA-N 1 0 393.474 4.262 20 0 GIADRO Clc1ccc(-c2nc(CC[NH2+]C3CCC4(CC3)OCCO4)cs2)cc1 ZINC000186303379 822873461 /nfs/dbraw/zinc/87/34/61/822873461.db2.gz XYBQPVGZGXBIRZ-UHFFFAOYSA-N 1 0 378.925 4.281 20 0 GIADRO Cc1noc(CCC[NH2+][C@H]2CCCc3c4cc(Br)ccc4[nH]c32)n1 ZINC000569048441 822873471 /nfs/dbraw/zinc/87/34/71/822873471.db2.gz WZVDTSYSPSOJFB-INIZCTEOSA-N 1 0 389.297 4.222 20 0 GIADRO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)CCSc1ccccc1 ZINC000186302649 822873611 /nfs/dbraw/zinc/87/36/11/822873611.db2.gz WTFAIYHCKVCFMG-QGZVFWFLSA-N 1 0 390.574 4.012 20 0 GIADRO CCC[C@@H]1CCCCN1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1OCC ZINC000186304616 822873744 /nfs/dbraw/zinc/87/37/44/822873744.db2.gz YIOVYQKIAGAFRL-GOSISDBHSA-N 1 0 388.556 4.024 20 0 GIADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000457426134 822874327 /nfs/dbraw/zinc/87/43/27/822874327.db2.gz RTKBWYBGNPQEJM-UHFFFAOYSA-N 1 0 385.455 4.040 20 0 GIADRO O=C(NCc1ccccc1C[NH+]1CCCC1)[C@@H]1CCN(c2ccccc2Cl)C1 ZINC000569054809 822874408 /nfs/dbraw/zinc/87/44/08/822874408.db2.gz XXVVLRJVVRYQKB-HXUWFJFHSA-N 1 0 397.950 4.079 20 0 GIADRO Cc1ccc(NC(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)c(C)c1 ZINC000175054088 822874517 /nfs/dbraw/zinc/87/45/17/822874517.db2.gz KPHWMKDZJGQWAR-UHFFFAOYSA-N 1 0 395.547 4.496 20 0 GIADRO CCO[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nc(CC(F)(F)F)no3)c2)C12CCC2 ZINC000569055545 822874656 /nfs/dbraw/zinc/87/46/56/822874656.db2.gz LTJZBTXOZHMMJZ-CVEARBPZSA-N 1 0 395.425 4.279 20 0 GIADRO C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)N1CCC([NH+]2CCCC2)CC1 ZINC000054317244 822875840 /nfs/dbraw/zinc/87/58/40/822875840.db2.gz CZMDNMPOQXGROB-LSDHHAIUSA-N 1 0 398.378 4.119 20 0 GIADRO Cc1cc(C)c(NC(=O)CN2CCC[N@H+](CC3CCCCC3)CC2)c(Cl)c1 ZINC000054318372 822875991 /nfs/dbraw/zinc/87/59/91/822875991.db2.gz GENHHDKGOQOHBG-UHFFFAOYSA-N 1 0 391.987 4.483 20 0 GIADRO CCC[NH+]1CCC(CNC(=O)Nc2ccc(C)cc2-c2nc(C3CC3)no2)CC1 ZINC000175064604 822876493 /nfs/dbraw/zinc/87/64/93/822876493.db2.gz OIZBFNBMKIEECU-UHFFFAOYSA-N 1 0 397.523 4.166 20 0 GIADRO COc1ccc(C(=O)Nc2cccc(C[NH2+]C[C@H]3CCCO[C@@H]3C(C)C)c2)cc1 ZINC000175064443 822876594 /nfs/dbraw/zinc/87/65/94/822876594.db2.gz FVHYGZMRBNYCBG-NFBKMPQASA-N 1 0 396.531 4.488 20 0 GIADRO C[C@@H](NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)c1ccc(Cl)cc1 ZINC000457467286 822878049 /nfs/dbraw/zinc/87/80/49/822878049.db2.gz UULUQHIPFCBLMR-CYBMUJFWSA-N 1 0 391.865 4.459 20 0 GIADRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)N(Cc1ccccc1)C1CCCCC1 ZINC000175076862 822878194 /nfs/dbraw/zinc/87/81/94/822878194.db2.gz HNNNIFYWCYVOAH-NRFANRHFSA-N 1 0 399.579 4.032 20 0 GIADRO CC1(C)[C@H]([NH2+]C2CCC(O)(c3cccnc3)CC2)C[C@H]1OCc1ccccc1 ZINC000186338631 822878213 /nfs/dbraw/zinc/87/82/13/822878213.db2.gz WKLBMCLGUXRJEC-VCUAKTQDSA-N 1 0 380.532 4.185 20 0 GIADRO COc1ccccc1Oc1ccc(NC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000569083184 822878307 /nfs/dbraw/zinc/87/83/07/822878307.db2.gz YDPIINGMWAHPRP-JOCHJYFZSA-N 1 0 381.476 4.095 20 0 GIADRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@](C)(O)[C@@H](C)c1ccccc1 ZINC000175077988 822878461 /nfs/dbraw/zinc/87/84/61/822878461.db2.gz TUKFDBWHLNITMH-FDDCHVKYSA-N 1 0 398.572 4.037 20 0 GIADRO Cc1ccc(NC(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)c(F)c1 ZINC000175081987 822879069 /nfs/dbraw/zinc/87/90/69/822879069.db2.gz UCQKPEMDZLQYEV-UHFFFAOYSA-N 1 0 399.510 4.327 20 0 GIADRO CCO[C@@H]1C[C@@H](Nc2cc[nH+]c3cc(C(F)(F)F)ccc23)[C@H]1n1cccn1 ZINC000569091182 822879235 /nfs/dbraw/zinc/87/92/35/822879235.db2.gz QLPWUANGTUIJHF-KZNAEPCWSA-N 1 0 376.382 4.281 20 0 GIADRO CCc1ccc([C@H](CNC(=O)NCc2coc(-c3cccs3)n2)[NH+](C)C)cc1 ZINC000054376733 822879281 /nfs/dbraw/zinc/87/92/81/822879281.db2.gz LNEFUOIMVDQCHT-SFHVURJKSA-N 1 0 398.532 4.068 20 0 GIADRO OC1(c2cccnc2)CCC([NH2+][C@H](c2ccccc2)c2ccc(F)cn2)CC1 ZINC000186346445 822879449 /nfs/dbraw/zinc/87/94/49/822879449.db2.gz CLSFYUZOWMRWBD-GTMAMOSYSA-N 1 0 377.463 4.125 20 0 GIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2ccccc2N2CCCC2)C1 ZINC000054382178 822879636 /nfs/dbraw/zinc/87/96/36/822879636.db2.gz HBBNBFDERZAOOZ-ICSRJNTNSA-N 1 0 378.520 4.244 20 0 GIADRO CC(C)C(=O)Nc1ccc(NC(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000054384444 822880249 /nfs/dbraw/zinc/88/02/49/822880249.db2.gz RUSYDIDMWWLVNO-IRXDYDNUSA-N 1 0 388.556 4.159 20 0 GIADRO O=C(c1sc(-c2ccco2)nc1-c1ccccc1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000569101302 822880223 /nfs/dbraw/zinc/88/02/23/822880223.db2.gz HFXYGHGJPMXTQE-JOCHJYFZSA-N 1 0 393.512 4.286 20 0 GIADRO CC[NH+]1CCN(c2ccccc2NCc2ccc3c(c2)COC(C)(C)O3)CC1 ZINC000186353503 822880734 /nfs/dbraw/zinc/88/07/34/822880734.db2.gz IGIMBURPCLXDBC-UHFFFAOYSA-N 1 0 381.520 4.086 20 0 GIADRO COc1ccc([C@H](C[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)N2CCCC2)cc1 ZINC000186357622 822881370 /nfs/dbraw/zinc/88/13/70/822881370.db2.gz VBJGIYROWDBOKP-QFIPXVFZSA-N 1 0 396.531 4.267 20 0 GIADRO O=C(Nc1ccccc1)c1ccc(C[N@@H+]2CCNC(=O)C[C@H]2c2ccccc2)cc1 ZINC000054395833 822881854 /nfs/dbraw/zinc/88/18/54/822881854.db2.gz QQWHOWRLVPGFJP-QHCPKHFHSA-N 1 0 399.494 4.002 20 0 GIADRO COc1ccc([C@@H]([NH2+][C@H](C)CCC2CC2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000186365182 822882614 /nfs/dbraw/zinc/88/26/14/822882614.db2.gz SJRBEMNUMZEFBJ-OPAMFIHVSA-N 1 0 387.545 4.356 20 0 GIADRO C[C@@H](CN1CCC(C)CC1)[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000569140253 822883098 /nfs/dbraw/zinc/88/30/98/822883098.db2.gz HINNWXGRYZWMQR-IBGZPJMESA-N 1 0 381.568 4.270 20 0 GIADRO Cc1ccsc1C[N@H+](C)CCC(=O)Nc1ccc(Br)cc1F ZINC000054426923 822884204 /nfs/dbraw/zinc/88/42/04/822884204.db2.gz JGKXMCJCIKYFDF-UHFFFAOYSA-N 1 0 385.302 4.419 20 0 GIADRO COc1ccccc1[C@H](C[NH2+]C1CCN(CCC(F)(F)F)CC1)OC(C)C ZINC000186379317 822884877 /nfs/dbraw/zinc/88/48/77/822884877.db2.gz CFDOZOAPPGGBCF-IBGZPJMESA-N 1 0 388.474 4.168 20 0 GIADRO O=C([C@@H]1C[C@@H]1c1ccc2ccccc2c1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000175119010 822885554 /nfs/dbraw/zinc/88/55/54/822885554.db2.gz BFHMBOYAPXFURO-DNQXCXABSA-N 1 0 392.543 4.047 20 0 GIADRO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1oc2ccc(CCC(C)=O)cc2c1C ZINC000569158642 822885900 /nfs/dbraw/zinc/88/59/00/822885900.db2.gz OLDKOEMPJIQKEA-IBGZPJMESA-N 1 0 384.520 4.209 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)N1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000457534837 822887186 /nfs/dbraw/zinc/88/71/86/822887186.db2.gz UMSJYIUIFXCEHR-RTWAWAEBSA-N 1 0 387.955 4.134 20 0 GIADRO Cc1ccc(C[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)c(O[C@@H]2CCOC2)c1 ZINC000186396114 822887470 /nfs/dbraw/zinc/88/74/70/822887470.db2.gz XKHHRFFDWBGUEX-HXUWFJFHSA-N 1 0 383.488 4.098 20 0 GIADRO CC[NH+](CC)CCN(C(=O)CCCSC)c1cccc(Br)c1 ZINC000569170460 822888101 /nfs/dbraw/zinc/88/81/01/822888101.db2.gz VMOJEEKOMRFTSV-UHFFFAOYSA-N 1 0 387.387 4.267 20 0 GIADRO COc1cccc(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c1OC(F)F ZINC000569172320 822888351 /nfs/dbraw/zinc/88/83/51/822888351.db2.gz SZSHOEZAGNRYKF-QRVBRYPASA-N 1 0 389.442 4.301 20 0 GIADRO C[NH+]1CCC(CCNC(=O)c2sc3ccccc3c2Br)CC1 ZINC000569174625 822888741 /nfs/dbraw/zinc/88/87/41/822888741.db2.gz RBNLUYHSYARDEH-UHFFFAOYSA-N 1 0 381.339 4.126 20 0 GIADRO CC1(C)OCc2cc(C[NH2+]C3(c4ccc(F)cc4F)CCOCC3)ccc2O1 ZINC000186403638 822889078 /nfs/dbraw/zinc/88/90/78/822889078.db2.gz RKMRPGODZTVDRX-UHFFFAOYSA-N 1 0 389.442 4.405 20 0 GIADRO CC(C)Oc1ccc(C(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)c(Cl)c1 ZINC000457550096 822889529 /nfs/dbraw/zinc/88/95/29/822889529.db2.gz BLQVQGCTJOMFGA-UHFFFAOYSA-N 1 0 390.911 4.457 20 0 GIADRO COCCc1nc(C)c([C@H](C)[NH2+]CCc2cn(C)c3cc(F)ccc23)s1 ZINC000186414768 822890651 /nfs/dbraw/zinc/89/06/51/822890651.db2.gz HTASQWIADHUPGI-ZDUSSCGKSA-N 1 0 375.513 4.165 20 0 GIADRO COc1ccc(C[NH+](C)C)cc1NC(=O)c1cc(C(C)C)n(-c2ccccc2)n1 ZINC000569188574 822890697 /nfs/dbraw/zinc/89/06/97/822890697.db2.gz JGKXNPUKFHFXBC-UHFFFAOYSA-N 1 0 392.503 4.318 20 0 GIADRO COCCc1nc(C)c([C@@H](C)[NH2+]CCc2cn(C)c3cc(F)ccc23)s1 ZINC000186414750 822890707 /nfs/dbraw/zinc/89/07/07/822890707.db2.gz HTASQWIADHUPGI-CYBMUJFWSA-N 1 0 375.513 4.165 20 0 GIADRO CCOc1cc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc(Cl)c1O ZINC000186423228 822892035 /nfs/dbraw/zinc/89/20/35/822892035.db2.gz OGVXNYFXECPGMC-HNNXBMFYSA-N 1 0 394.924 4.073 20 0 GIADRO CCOC(=O)N1CCC([C@@H](C)[NH2+]Cc2ccc(Cl)c3cccnc23)CC1 ZINC000186423893 822892323 /nfs/dbraw/zinc/89/23/23/822892323.db2.gz QPCPKAJCERAVDM-CQSZACIVSA-N 1 0 375.900 4.235 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)Nc2c(C)cc(Br)cc2C)CC1 ZINC000175155086 822893742 /nfs/dbraw/zinc/89/37/42/822893742.db2.gz VQNUVBHDMGIODA-UHFFFAOYSA-N 1 0 382.346 4.309 20 0 GIADRO [NH3+][C@H]1CCc2nc(NC(=O)c3cc(C4CC4)nc4ccc(Cl)cc43)sc2C1 ZINC000569220269 822893934 /nfs/dbraw/zinc/89/39/34/822893934.db2.gz WYIQWVXWGLORDA-LBPRGKRZSA-N 1 0 398.919 4.290 20 0 GIADRO Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]C[C@H](c1ccccc1)C(F)(F)F ZINC000186434770 822894948 /nfs/dbraw/zinc/89/49/48/822894948.db2.gz JPZAIAOECGBQRM-CQSZACIVSA-N 1 0 395.347 4.105 20 0 GIADRO Cc1cc(C(=O)OC(C)(C)C)cc(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000457588356 822895129 /nfs/dbraw/zinc/89/51/29/822895129.db2.gz WSFBQNROOVGXOD-FQEVSTJZSA-N 1 0 386.536 4.041 20 0 GIADRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)[C@H]1CCCC[C@@H]1C1CC1)c1ccccc1O2 ZINC000569245899 822896033 /nfs/dbraw/zinc/89/60/33/822896033.db2.gz TZLJMRDYXBHXHW-DYXWJJEUSA-N 1 0 382.548 4.307 20 0 GIADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)c3cccc([C@@H]4CCOC4)c3)C2)s1 ZINC000569249533 822896179 /nfs/dbraw/zinc/89/61/79/822896179.db2.gz HZPRXPFDOVXBIX-GHTZIAJQSA-N 1 0 398.572 4.155 20 0 GIADRO Cc1cc(C)n(-c2ccccc2NC(=O)NC2CC[NH+](C3CCCC3)CC2)n1 ZINC000175167882 822896834 /nfs/dbraw/zinc/89/68/34/822896834.db2.gz RARFWVBYVDMNGX-UHFFFAOYSA-N 1 0 381.524 4.018 20 0 GIADRO Cc1ccc(Oc2ccc(C(=O)N3CC[C@H](C[NH+]4CCCCC4)C3)nc2)cc1 ZINC000457607471 822896791 /nfs/dbraw/zinc/89/67/91/822896791.db2.gz RKIJSFODDLJPBV-LJQANCHMSA-N 1 0 379.504 4.130 20 0 GIADRO CCOC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2sc(-c3ccc(OC)cc3)nc2C)C1 ZINC000186444233 822896856 /nfs/dbraw/zinc/89/68/56/822896856.db2.gz ZOOBRHVOLUCKHT-XJKSGUPXSA-N 1 0 389.521 4.009 20 0 GIADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2ccc(Oc3cccc(Cl)c3)cn2)C1 ZINC000457613573 822897159 /nfs/dbraw/zinc/89/71/59/822897159.db2.gz MXAKDBHHQAOOFM-QGZVFWFLSA-N 1 0 399.922 4.331 20 0 GIADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000569267928 822898615 /nfs/dbraw/zinc/89/86/15/822898615.db2.gz QPDFVRIEIVCNOI-KRWDZBQOSA-N 1 0 381.398 4.138 20 0 GIADRO C[NH+](C)CCCC(C)(C)NC(=O)NCc1cccc(OCc2ccccc2)c1 ZINC000457640202 822899998 /nfs/dbraw/zinc/89/99/98/822899998.db2.gz BNARYMQTPVNBJV-UHFFFAOYSA-N 1 0 383.536 4.185 20 0 GIADRO C[C@H]([NH2+]C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)c1ccncc1 ZINC000186468283 822900297 /nfs/dbraw/zinc/90/02/97/822900297.db2.gz ZNCAVGRNQBOAKR-AWEZNQCLSA-N 1 0 377.410 4.056 20 0 GIADRO Cc1cncc([C@H](C)[NH2+]C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c1 ZINC000186469140 822900307 /nfs/dbraw/zinc/90/03/07/822900307.db2.gz OPQPQACWOCAIQA-HNNXBMFYSA-N 1 0 391.437 4.364 20 0 GIADRO Cc1cccc(CN(C)C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)n1 ZINC000457644661 822900458 /nfs/dbraw/zinc/90/04/58/822900458.db2.gz HEQXVZXNJOLONE-LJQANCHMSA-N 1 0 380.536 4.106 20 0 GIADRO Cc1cccnc1C(C)(C)C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000569278221 822900446 /nfs/dbraw/zinc/90/04/46/822900446.db2.gz WMVZXSBVHHJKHS-UHFFFAOYSA-N 1 0 385.939 4.215 20 0 GIADRO COc1cc([C@H](C)[NH2+][C@@H](C)CSc2ccc(C)cc2)ccc1S(C)(=O)=O ZINC000186469743 822900528 /nfs/dbraw/zinc/90/05/28/822900528.db2.gz XGHOVCSYDCYNOA-HOTGVXAUSA-N 1 0 393.574 4.239 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@@H](C)CSc2ccc(C)cc2)ccc1S(C)(=O)=O ZINC000186469773 822900564 /nfs/dbraw/zinc/90/05/64/822900564.db2.gz XGHOVCSYDCYNOA-JKSUJKDBSA-N 1 0 393.574 4.239 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@@H](C)c1nc2c(s1)CCC2 ZINC000457646299 822900734 /nfs/dbraw/zinc/90/07/34/822900734.db2.gz JWJOPOHPDDCIDE-HNNXBMFYSA-N 1 0 386.565 4.032 20 0 GIADRO O=C(c1ccccc1C(F)(F)F)N1CCC([NH2+]C2Cc3ccccc3C2)CC1 ZINC000186471991 822900677 /nfs/dbraw/zinc/90/06/77/822900677.db2.gz XTGKWSMUNMSCIL-UHFFFAOYSA-N 1 0 388.433 4.067 20 0 GIADRO Cc1cc(C(C)(C)C(=O)Nc2cc(C[NH+](C)C)ccn2)ccc1Br ZINC000569281015 822900679 /nfs/dbraw/zinc/90/06/79/822900679.db2.gz WKCCNJGRSOJEFZ-UHFFFAOYSA-N 1 0 390.325 4.130 20 0 GIADRO CC[C@@H](C(=O)N[C@@H](C)c1ncc(-c2ccccc2)o1)[N@H+](C)Cc1ccccc1 ZINC000569280458 822900829 /nfs/dbraw/zinc/90/08/29/822900829.db2.gz NKNJLHAJMKEWCR-PXNSSMCTSA-N 1 0 377.488 4.429 20 0 GIADRO Cc1cccc(CN(C)C(=O)NCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)n1 ZINC000457656468 822902251 /nfs/dbraw/zinc/90/22/51/822902251.db2.gz CBAWCJIEYMOTBY-OALUTQOASA-N 1 0 394.563 4.210 20 0 GIADRO C[C@@H](C[NH2+][C@H](CO)Cc1c[nH]c2ccccc12)c1ccc(C(F)(F)F)cc1 ZINC000569291205 822902627 /nfs/dbraw/zinc/90/26/27/822902627.db2.gz WPFWMFIUHDNPIO-KSSFIOAISA-N 1 0 376.422 4.483 20 0 GIADRO Cc1cccc(CN(C)C(=O)NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC000457663916 822903043 /nfs/dbraw/zinc/90/30/43/822903043.db2.gz ICYFIZZAJWHDCZ-KDURUIRLSA-N 1 0 394.563 4.210 20 0 GIADRO Cc1cccc(CN(C)C(=O)NCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)n1 ZINC000457663917 822903205 /nfs/dbraw/zinc/90/32/05/822903205.db2.gz ICYFIZZAJWHDCZ-OALUTQOASA-N 1 0 394.563 4.210 20 0 GIADRO C[C@H](NC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1cncc(F)c1 ZINC000457667124 822903585 /nfs/dbraw/zinc/90/35/85/822903585.db2.gz WAWSZQDGRNMQJP-IRXDYDNUSA-N 1 0 384.499 4.013 20 0 GIADRO COC[C@@H]1CCCN(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000457669548 822904214 /nfs/dbraw/zinc/90/42/14/822904214.db2.gz XKMNYKYLMSHAHH-VQTJNVASSA-N 1 0 387.568 4.019 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2cc(Br)co2)CC1 ZINC000457673921 822904767 /nfs/dbraw/zinc/90/47/67/822904767.db2.gz ZSOFDNNGOUEDKJ-AWEZNQCLSA-N 1 0 383.330 4.159 20 0 GIADRO Cc1cc(NC(=O)[C@H](C)CC(F)(F)F)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000457675023 822904897 /nfs/dbraw/zinc/90/48/97/822904897.db2.gz MPIJWTHFVGZGGT-PBHICJAKSA-N 1 0 394.441 4.166 20 0 GIADRO CCC[C@H](CCc1ccccc1)NC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000175213316 822905891 /nfs/dbraw/zinc/90/58/91/822905891.db2.gz HRYUDTPDRBFLPE-JOCHJYFZSA-N 1 0 394.563 4.147 20 0 GIADRO CC(C)c1nccn1Cc1cccc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000175216353 822906557 /nfs/dbraw/zinc/90/65/57/822906557.db2.gz MWLMKLKUKZSWAS-FXAWDEMLSA-N 1 0 383.540 4.001 20 0 GIADRO Cc1cccc(Oc2ccc(C(=O)N3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)nc2)c1 ZINC000457689706 822907272 /nfs/dbraw/zinc/90/72/72/822907272.db2.gz WJUHMUZOUBCMJF-MBSDFSHPSA-N 1 0 391.515 4.271 20 0 GIADRO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)N1C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000457701043 822908378 /nfs/dbraw/zinc/90/83/78/822908378.db2.gz HTHNKYUMSPPFPD-MYZSUADSSA-N 1 0 377.476 4.112 20 0 GIADRO COc1ccc2c(c1)nc(C[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(C)C)n2C ZINC000186529320 822909043 /nfs/dbraw/zinc/90/90/43/822909043.db2.gz PGDLNUDGELOJHM-INIZCTEOSA-N 1 0 394.519 4.212 20 0 GIADRO C[C@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1)c1ccccc1OC(F)F ZINC000569350813 822910566 /nfs/dbraw/zinc/91/05/66/822910566.db2.gz QJFHTZAVJTXNTL-AFAVFJNCSA-N 1 0 394.849 4.122 20 0 GIADRO CC[C@@H](C(=O)N1CCC([NH2+][C@@H](C)c2cn3ccccc3n2)CC1)c1ccccc1 ZINC000569355225 822910837 /nfs/dbraw/zinc/91/08/37/822910837.db2.gz CLUYNPIEERLKNL-GHTZIAJQSA-N 1 0 390.531 4.170 20 0 GIADRO Cc1ccc(COc2ccc(C[NH2+][C@H](C3CC3)C3(CO)CCOCC3)cc2)cc1 ZINC000569370082 822912177 /nfs/dbraw/zinc/91/21/77/822912177.db2.gz NUBCAMXLNSOVTO-XMMPIXPASA-N 1 0 395.543 4.231 20 0 GIADRO Cc1csc(SCc2ccccc2C(=O)NCC[NH+]2CCC(C)CC2)n1 ZINC000054779865 822912180 /nfs/dbraw/zinc/91/21/80/822912180.db2.gz TWSGQSGFGXEZFU-UHFFFAOYSA-N 1 0 389.590 4.206 20 0 GIADRO COc1ccc([C@H](NC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)c2ccco2)cc1 ZINC000457734757 822912525 /nfs/dbraw/zinc/91/25/25/822912525.db2.gz KRYGYMBURCFXPL-GCJKJVERSA-N 1 0 399.535 4.189 20 0 GIADRO COc1cc(C[NH2+]CCOc2ccccc2C)ccc1OCc1c(C)noc1C ZINC000054809476 822914988 /nfs/dbraw/zinc/91/49/88/822914988.db2.gz RAYDFJJURMYULW-UHFFFAOYSA-N 1 0 396.487 4.356 20 0 GIADRO O=C(C[C@H]1CCCc2ccccc21)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000186568866 822914952 /nfs/dbraw/zinc/91/49/52/822914952.db2.gz KEZZLGNNAWLPIL-IFMALSPDSA-N 1 0 377.532 4.063 20 0 GIADRO C[C@@H](NC(=O)c1c(F)cc(C(F)(F)F)cc1F)[C@@H](c1ccccc1)[NH+](C)C ZINC000569398691 822916785 /nfs/dbraw/zinc/91/67/85/822916785.db2.gz KVRRWRJAFNWLJO-DIFFPNOSSA-N 1 0 386.364 4.405 20 0 GIADRO C[C@@H](C(=O)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1)c1cc2ccccc2o1 ZINC000186583125 822917173 /nfs/dbraw/zinc/91/71/73/822917173.db2.gz MTWMHWJKXXUHLJ-YLJYHZDGSA-N 1 0 377.488 4.102 20 0 GIADRO Cc1nc(-c2ccc([C@H](C)NC(=O)N3CC[C@@]4(C3)CCC[N@H+](C)C4)cc2)cs1 ZINC000457772728 822917420 /nfs/dbraw/zinc/91/74/20/822917420.db2.gz JXUKNZKAHFXQKG-AOMKIAJQSA-N 1 0 398.576 4.307 20 0 GIADRO Cc1cccc(-c2n[nH]cc2C[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)c1 ZINC000186590689 822919176 /nfs/dbraw/zinc/91/91/76/822919176.db2.gz GGMZZERFFJXWFH-UHFFFAOYSA-N 1 0 379.479 4.094 20 0 GIADRO O=C(N[C@@H]1CCC[C@H](c2cccc(Cl)c2)C1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000457785950 822919361 /nfs/dbraw/zinc/91/93/61/822919361.db2.gz MBFFKXFBJKGSRG-OJAHFUOMSA-N 1 0 375.944 4.292 20 0 GIADRO O=C([C@@H]1C[C@H]1c1ccccc1Cl)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000186593748 822919803 /nfs/dbraw/zinc/91/98/03/822919803.db2.gz NFNAEAINSCMJBA-YZGWKJHDSA-N 1 0 383.923 4.009 20 0 GIADRO C[C@H]([NH2+][C@H](Cc1ccc(F)cc1)[C@@H]1COc2ccccc2O1)c1cscn1 ZINC000569417171 822919946 /nfs/dbraw/zinc/91/99/46/822919946.db2.gz TZURSKJYVFZXCU-OXTHUFEASA-N 1 0 384.476 4.384 20 0 GIADRO COc1cc2c(cc1F)CC[C@@H]2[NH2+]C[C@H](O)COc1cccc2ccccc21 ZINC000569420701 822920668 /nfs/dbraw/zinc/92/06/68/822920668.db2.gz ULJYIXJVLSKUTG-UWJYYQICSA-N 1 0 381.447 4.004 20 0 GIADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc(Oc2cccc(Cl)c2)cn1 ZINC000457807012 822921323 /nfs/dbraw/zinc/92/13/23/822921323.db2.gz PAQRXYORSCFKDF-RDJZCZTQSA-N 1 0 385.895 4.226 20 0 GIADRO COc1ccc(C[C@@H](C)C[NH+]2CCC(C(=O)NCc3ccccc3)CC2)cc1F ZINC000186600781 822921766 /nfs/dbraw/zinc/92/17/66/822921766.db2.gz ZUBLFBQXTNIJEX-GOSISDBHSA-N 1 0 398.522 4.041 20 0 GIADRO COc1cccc([C@@H](CNC(=O)N(C)[C@@H](C)c2ccc(F)cc2)[NH+]2CCCC2)c1 ZINC000054921203 822922407 /nfs/dbraw/zinc/92/24/07/822922407.db2.gz ICUATMRZPJWMPL-HTAPYJJXSA-N 1 0 399.510 4.374 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(C(C)(C)O)cc1)c1ccc(OCc2nccn2C)cc1 ZINC000186605095 822922467 /nfs/dbraw/zinc/92/24/67/822922467.db2.gz QVEHAEZWHXSDAG-QGZVFWFLSA-N 1 0 379.504 4.077 20 0 GIADRO Cc1ccc(C)c(NC(=S)NCCCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000054939638 822923262 /nfs/dbraw/zinc/92/32/62/822923262.db2.gz QTDIXFJMYDPREF-UHFFFAOYSA-N 1 0 396.604 4.192 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)NCc2nc3ccccc3s2)CC[N@@H+]1Cc1ccccc1 ZINC000175283509 822923873 /nfs/dbraw/zinc/92/38/73/822923873.db2.gz MFIMUZAWKUUWQP-AEFFLSMTSA-N 1 0 394.544 4.149 20 0 GIADRO CN(Cc1ncc(-c2cccc(F)c2)o1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000175285086 822924328 /nfs/dbraw/zinc/92/43/28/822924328.db2.gz VZBBWGGFCSXKIH-LJQANCHMSA-N 1 0 379.479 4.435 20 0 GIADRO CN(C)c1ccc(CN(C)C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000054953241 822924726 /nfs/dbraw/zinc/92/47/26/822924726.db2.gz BHYCWNIBLPIIQM-UHFFFAOYSA-N 1 0 394.563 4.080 20 0 GIADRO [NH3+][C@@H](CCC(=O)N1CCC[C@H](c2nc3c(s2)CCCC3)C1)c1ccccc1 ZINC000569449199 822924938 /nfs/dbraw/zinc/92/49/38/822924938.db2.gz WFPUBWKEUBLZHH-ROUUACIJSA-N 1 0 383.561 4.208 20 0 GIADRO COc1ccccc1SC[C@@H](C)C[NH2+]Cc1cncc(Br)c1 ZINC000186620448 822924939 /nfs/dbraw/zinc/92/49/39/822924939.db2.gz KQWHEBOUTQRUDL-ZDUSSCGKSA-N 1 0 381.339 4.371 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)NCCc2c[nH]c3ccccc23)CC[N@@H+]1Cc1ccccc1 ZINC000175291385 822926328 /nfs/dbraw/zinc/92/63/28/822926328.db2.gz HMPGNCSKESVADX-NQIIRXRSSA-N 1 0 390.531 4.063 20 0 GIADRO COc1ccccc1NC(=O)c1ccc(NC(=O)CC[NH2+][C@@H]2CCC2(C)C)cc1 ZINC000569470014 822926790 /nfs/dbraw/zinc/92/67/90/822926790.db2.gz DPPSIONKLMVAPV-HXUWFJFHSA-N 1 0 395.503 4.054 20 0 GIADRO O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000569471239 822927162 /nfs/dbraw/zinc/92/71/62/822927162.db2.gz FHVKCSPMBPMJQZ-IEBWSBKVSA-N 1 0 394.412 4.458 20 0 GIADRO COc1ccc2nc(C[N@@H+]3CCC[C@@H](c4nnc5n4CCCCC5)C3)sc2c1 ZINC000186635660 822927252 /nfs/dbraw/zinc/92/72/52/822927252.db2.gz BKVJQBHPECRJFC-OAHLLOKOSA-N 1 0 397.548 4.002 20 0 GIADRO CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)c1 ZINC000569474019 822927421 /nfs/dbraw/zinc/92/74/21/822927421.db2.gz HXUWJCNZLNKGER-WINIVTDRSA-N 1 0 386.561 4.399 20 0 GIADRO CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000186641744 822928058 /nfs/dbraw/zinc/92/80/58/822928058.db2.gz VMHCECPXYAHEDF-REWPJTCUSA-N 1 0 397.494 4.277 20 0 GIADRO 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 822928207 /nfs/dbraw/zinc/92/82/07/822928207.db2.gz CVBWBOGJEASCDZ-GHMZBOCLSA-N 1 0 398.347 4.274 20 0 GIADRO Cn1cc([C@H]([NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)c2ccc(F)cc2)cn1 ZINC000186649908 822929632 /nfs/dbraw/zinc/92/96/32/822929632.db2.gz UNCAHSMMGVRLBZ-RRWXTXHCSA-N 1 0 387.499 4.139 20 0 GIADRO CC(=O)c1cccc(OC[C@H](O)C[NH2+]C(C)(C)c2cccc(C(F)(F)F)c2)c1 ZINC000569497027 822929849 /nfs/dbraw/zinc/92/98/49/822929849.db2.gz FLHQCFVHTPLEIQ-GOSISDBHSA-N 1 0 395.421 4.173 20 0 GIADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1oc2ccccc2c1C ZINC000175304290 822930091 /nfs/dbraw/zinc/93/00/91/822930091.db2.gz BFEVNMKNXYGUQI-UHFFFAOYSA-N 1 0 393.487 4.144 20 0 GIADRO Cc1nc2ccccc2n1Cc1cc(NC(=O)CC[NH2+]C2CC2)ccc1Cl ZINC000569500893 822930438 /nfs/dbraw/zinc/93/04/38/822930438.db2.gz FOCXGZGJPATVIU-UHFFFAOYSA-N 1 0 382.895 4.127 20 0 GIADRO COc1ccc(C(=O)C(C(=S)N[C@@H](C)c2ccccc2)[n+]2ccccc2)cc1 ZINC000055013529 822931190 /nfs/dbraw/zinc/93/11/90/822931190.db2.gz UBPYYGUZKJUCSB-KRWDZBQOSA-O 1 0 391.516 4.272 20 0 GIADRO CO[C@@H](C)c1nc(C)c(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)s1 ZINC000175310010 822931565 /nfs/dbraw/zinc/93/15/65/822931565.db2.gz SNVJOHUIDZZMLY-INIZCTEOSA-N 1 0 379.570 4.078 20 0 GIADRO C[C@H](CNC(=O)NC1(c2cccc(C(F)(F)F)c2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000569511500 822932335 /nfs/dbraw/zinc/93/23/35/822932335.db2.gz HYMRUIWWIJIOGE-HUUCEWRRSA-N 1 0 383.458 4.114 20 0 GIADRO FC(F)(F)c1ccc(Br)c(CN2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000569515847 822933134 /nfs/dbraw/zinc/93/31/34/822933134.db2.gz RBJDNEVSKSHLEE-ZDUSSCGKSA-N 1 0 391.275 4.386 20 0 GIADRO COc1cccc(CN(C)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000055047939 822934605 /nfs/dbraw/zinc/93/46/05/822934605.db2.gz JSWMURWUVXYJLU-UHFFFAOYSA-N 1 0 381.520 4.023 20 0 GIADRO Fc1ccc(-n2nc(C[N@@H+]3CC[C@@]4(C3)OCc3ccccc34)c3c2CCC3)cc1 ZINC000186676134 822934820 /nfs/dbraw/zinc/93/48/20/822934820.db2.gz ANLSPOCADANEMZ-DEOSSOPVSA-N 1 0 389.474 4.132 20 0 GIADRO C[C@@H]1CCN(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)[C@@H]1C ZINC000175323340 822935105 /nfs/dbraw/zinc/93/51/05/822935105.db2.gz SQJZSVXDPVTBDK-QZTJIDSGSA-N 1 0 386.540 4.153 20 0 GIADRO CC[N@H+](CC[S@](=O)c1cc(Cl)ccc1Cl)[C@@H]1CCOC(C)(C)C1 ZINC000569533865 822935974 /nfs/dbraw/zinc/93/59/74/822935974.db2.gz QNXREFYFNKDJTM-FATZIPQQSA-N 1 0 378.365 4.381 20 0 GIADRO COc1ccccc1[C@@H](CO)[NH2+]Cc1cccc2c(Br)cccc12 ZINC000569535632 822936256 /nfs/dbraw/zinc/93/62/56/822936256.db2.gz CDEVDFFWZDYODE-LJQANCHMSA-N 1 0 386.289 4.434 20 0 GIADRO C[C@H](NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccccc1C(F)(F)F ZINC000055087426 822937001 /nfs/dbraw/zinc/93/70/01/822937001.db2.gz OLFLUWIXYPEEJO-WMLDXEAASA-N 1 0 395.425 4.496 20 0 GIADRO C[C@H](NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O)c1cccc2ccccc21 ZINC000569557292 822939426 /nfs/dbraw/zinc/93/94/26/822939426.db2.gz CACFFXLEQZUPCZ-AIZKBTNYSA-N 1 0 380.532 4.033 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1CCC(OCC2CCCC2)CC1 ZINC000175345469 822940716 /nfs/dbraw/zinc/94/07/16/822940716.db2.gz FTDRLMARRRUWOT-UHFFFAOYSA-N 1 0 399.579 4.163 20 0 GIADRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccccc2OC(C)C)cc1OC ZINC000055151963 822941258 /nfs/dbraw/zinc/94/12/58/822941258.db2.gz RZDNQTAKXLSSKG-HOTGVXAUSA-N 1 0 386.492 4.169 20 0 GIADRO CCc1c(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cnn1-c1ccccc1C ZINC000186711659 822942491 /nfs/dbraw/zinc/94/24/91/822942491.db2.gz CRTZOPVQJCSWHE-OALUTQOASA-N 1 0 394.563 4.126 20 0 GIADRO C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000569592406 822942961 /nfs/dbraw/zinc/94/29/61/822942961.db2.gz OAMMTHLJZYLKSU-GFCCVEGCSA-N 1 0 397.466 4.446 20 0 GIADRO CCc1nnc(-c2cccc(NC(=O)[C@@H]3CCC[N@H+](Cc4ccccc4)C3)c2)o1 ZINC000175361849 822946467 /nfs/dbraw/zinc/94/64/67/822946467.db2.gz IIEYNIKQYLWBJT-LJQANCHMSA-N 1 0 390.487 4.150 20 0 GIADRO COc1ccc([C@H](NC(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)c2ccc(F)cc2)cc1 ZINC000457975328 822946683 /nfs/dbraw/zinc/94/66/83/822946683.db2.gz UBLFYSMNBHQKDT-RBBKRZOGSA-N 1 0 399.510 4.048 20 0 GIADRO CC1=C[C@H](C)C[C@H](C[NH2+]Cc2cccc(N3C(=O)NC4(CCCC4)C3=O)c2)C1 ZINC000569629688 822947179 /nfs/dbraw/zinc/94/71/79/822947179.db2.gz HIUPLCJUBVVFGZ-LPHOPBHVSA-N 1 0 381.520 4.138 20 0 GIADRO CCCCC1CCC(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)CC1 ZINC000457981462 822947239 /nfs/dbraw/zinc/94/72/39/822947239.db2.gz OUKUTHGHHFECSH-BWQRXAFVSA-N 1 0 379.589 4.019 20 0 GIADRO CC1=C[C@@H](C)C[C@@H](C[NH2+]Cc2cccc(N3C(=O)NC4(CCCC4)C3=O)c2)C1 ZINC000569629692 822947268 /nfs/dbraw/zinc/94/72/68/822947268.db2.gz HIUPLCJUBVVFGZ-VQIMIIECSA-N 1 0 381.520 4.138 20 0 GIADRO Cc1ccc([C@H](CCn2cncn2)[NH2+]Cc2ccc(OC(F)F)c(F)c2)cc1 ZINC000569632415 822947591 /nfs/dbraw/zinc/94/75/91/822947591.db2.gz QRCHYTAMEMALRM-SFHVURJKSA-N 1 0 390.409 4.248 20 0 GIADRO CN(CC[N@H+](C)C1CC1)C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 ZINC000186759405 822950761 /nfs/dbraw/zinc/95/07/61/822950761.db2.gz ZIDCYNAUYPRZAR-UHFFFAOYSA-N 1 0 396.318 4.134 20 0 GIADRO Cc1cnc([C@@H](C)C[NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)s1 ZINC000186767415 822952011 /nfs/dbraw/zinc/95/20/11/822952011.db2.gz NVFUVPUKGMLYPI-RYUDHWBXSA-N 1 0 396.354 4.324 20 0 GIADRO Cc1c(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)nnn1-c1ccc(C)cc1 ZINC000055324249 822952295 /nfs/dbraw/zinc/95/22/95/822952295.db2.gz TXYZUIRARMEXDG-UHFFFAOYSA-N 1 0 389.503 4.122 20 0 GIADRO C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](C)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000569672223 822953245 /nfs/dbraw/zinc/95/32/45/822953245.db2.gz AIWLSMDIWIJTSD-FZMZJTMJSA-N 1 0 382.348 4.252 20 0 GIADRO Cc1cc(Br)c(NC(=O)N2CCC([NH2+]C(C)C)CC2)cc1Cl ZINC000186778557 822953947 /nfs/dbraw/zinc/95/39/47/822953947.db2.gz BWCYXGLVISIONG-UHFFFAOYSA-N 1 0 388.737 4.405 20 0 GIADRO C[C@H]1C[C@@H](NC(=O)Nc2ccc(Oc3cccc(C(F)(F)F)n3)cc2)CC[NH2+]1 ZINC000569691357 822955688 /nfs/dbraw/zinc/95/56/88/822955688.db2.gz GONVMYHRWPUZNW-JSGCOSHPSA-N 1 0 394.397 4.155 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(Cl)c2ccccc2n1 ZINC000569691874 822955712 /nfs/dbraw/zinc/95/57/12/822955712.db2.gz IZTLAGOYHWTLCW-GOSISDBHSA-N 1 0 393.918 4.482 20 0 GIADRO Cc1ccc([C@@H](C)NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)cc1C ZINC000458086408 822956641 /nfs/dbraw/zinc/95/66/41/822956641.db2.gz OHSATWQCMQOFAD-MRXNPFEDSA-N 1 0 385.474 4.423 20 0 GIADRO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000175392356 822956803 /nfs/dbraw/zinc/95/68/03/822956803.db2.gz MYCGRRJFXGXWBU-CHAGWJKLSA-N 1 0 394.581 4.064 20 0 GIADRO COCc1c(C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)sc2cccc(F)c21 ZINC000055403307 822957759 /nfs/dbraw/zinc/95/77/59/822957759.db2.gz XIXGQANCGHXXCP-UONOGXRCSA-N 1 0 378.513 4.037 20 0 GIADRO CC(C)c1ccc(-c2noc(CCC(=O)N[C@H](C)C[N@@H+]3CCC[C@@H](C)C3)n2)cc1 ZINC000055404437 822958091 /nfs/dbraw/zinc/95/80/91/822958091.db2.gz YSAXQEPDAQVUPB-QZTJIDSGSA-N 1 0 398.551 4.029 20 0 GIADRO COc1cc(C)c(NC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)cc1F ZINC000186807276 822958769 /nfs/dbraw/zinc/95/87/69/822958769.db2.gz GBKSYNQABJMDSH-UHFFFAOYSA-N 1 0 377.504 4.263 20 0 GIADRO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCSC3(CCOCC3)C2)cc1 ZINC000186807600 822958786 /nfs/dbraw/zinc/95/87/86/822958786.db2.gz CDVXVFDZAMPKJH-OAQYLSRUSA-N 1 0 396.556 4.273 20 0 GIADRO CN(CC[N@H+](C)C1CC1)C(=O)c1ccccc1CSc1nc2ccccc2o1 ZINC000186809932 822959149 /nfs/dbraw/zinc/95/91/49/822959149.db2.gz MCSBIUGLTVQENJ-UHFFFAOYSA-N 1 0 395.528 4.286 20 0 GIADRO COc1ccccc1C[C@H](C)N(C)C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000175400543 822959680 /nfs/dbraw/zinc/95/96/80/822959680.db2.gz JDPGXSKCGCQWQU-IBGZPJMESA-N 1 0 397.563 4.308 20 0 GIADRO COCC[NH2+]C1CCN(C(=O)Nc2ccc(Oc3cccc(C)c3)cc2)CC1 ZINC000569732717 822960334 /nfs/dbraw/zinc/96/03/34/822960334.db2.gz IBMIYSFPUUDLPP-UHFFFAOYSA-N 1 0 383.492 4.020 20 0 GIADRO Cc1nccn1C[C@@H](C)CNC(=O)N[C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000458126202 822960567 /nfs/dbraw/zinc/96/05/67/822960567.db2.gz BUOFMNBUKMZWNM-SGTLLEGYSA-N 1 0 378.879 4.071 20 0 GIADRO CC(C)(C)NC(=O)CC[NH2+][C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000569735886 822960908 /nfs/dbraw/zinc/96/09/08/822960908.db2.gz LNCXZYVYQRRRTO-INIZCTEOSA-N 1 0 392.341 4.202 20 0 GIADRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cnc(-c4ccc(Cl)cc4)s3)[C@@H]2C1 ZINC000569735433 822960917 /nfs/dbraw/zinc/96/09/17/822960917.db2.gz YEMALKDTLSILFD-IPELMVKDSA-N 1 0 389.952 4.200 20 0 GIADRO CC(C)(C)OCc1cc(C[NH2+][C@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)no1 ZINC000186823632 822961667 /nfs/dbraw/zinc/96/16/67/822961667.db2.gz HHVULDAUWHPCBD-QAPCUYQASA-N 1 0 395.544 4.163 20 0 GIADRO COc1cc(C)c(NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)cc1F ZINC000186826721 822962472 /nfs/dbraw/zinc/96/24/72/822962472.db2.gz DBZIBGGTGJTBLS-UHFFFAOYSA-N 1 0 395.425 4.017 20 0 GIADRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)Cc1coc(-c2cccs2)n1 ZINC000186837405 822964847 /nfs/dbraw/zinc/96/48/47/822964847.db2.gz WGECVYIVFVOIGQ-UHFFFAOYSA-N 1 0 375.538 4.107 20 0 GIADRO C[N@@H+]1CCC[C@H](CCNC(=O)[C@@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)C1 ZINC000458170626 822964905 /nfs/dbraw/zinc/96/49/05/822964905.db2.gz PGXPALZMYCBTIK-VEXUSMLFSA-N 1 0 392.543 4.217 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](c1ccccc1)C(F)(F)F)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000186839947 822965433 /nfs/dbraw/zinc/96/54/33/822965433.db2.gz NEIGDGZIHLECSW-DOMZBBRYSA-N 1 0 389.414 4.226 20 0 GIADRO CCCOc1ccc(CNC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000175426483 822965618 /nfs/dbraw/zinc/96/56/18/822965618.db2.gz MNCLERRCKKNTOX-JOCHJYFZSA-N 1 0 395.547 4.139 20 0 GIADRO C[N@@H+]1CCC[C@H](CCNC(=O)CCCC(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000458187155 822966447 /nfs/dbraw/zinc/96/64/47/822966447.db2.gz IDCSEFCGGUXPIB-CQSZACIVSA-N 1 0 385.335 4.195 20 0 GIADRO COc1ccc(C[C@](C)(O)C[NH2+]Cc2ccc(C(C)(C)C)s2)cc1OC ZINC000569771199 822966550 /nfs/dbraw/zinc/96/65/50/822966550.db2.gz PMUSVHIDSUIZSN-NRFANRHFSA-N 1 0 377.550 4.146 20 0 GIADRO O=C(NCCc1cccs1)C1CC[NH+](CCc2ccc(F)cc2Cl)CC1 ZINC000569774576 822967017 /nfs/dbraw/zinc/96/70/17/822967017.db2.gz PNKILMHXZWVMAX-UHFFFAOYSA-N 1 0 394.943 4.154 20 0 GIADRO CC(C)C(=O)N1CCC[N@H+](CC(Cc2ccccc2)Cc2ccccc2)CC1 ZINC000569774687 822967039 /nfs/dbraw/zinc/96/70/39/822967039.db2.gz VGMGYVVRTWYIOM-UHFFFAOYSA-N 1 0 378.560 4.278 20 0 GIADRO COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H](c2ccccc2)C(F)(F)F)cc1 ZINC000186849933 822967602 /nfs/dbraw/zinc/96/76/02/822967602.db2.gz YMRAKISVJABHDY-KDOFPFPSSA-N 1 0 380.410 4.348 20 0 GIADRO C[N@@H+]1CCC[C@@H](CCNC(=O)CCC(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000458202728 822968239 /nfs/dbraw/zinc/96/82/39/822968239.db2.gz XHXMGAGUFSTSRQ-IBGZPJMESA-N 1 0 378.516 4.165 20 0 GIADRO CC(=O)c1ccc(-c2ccc(C(=O)N(CC[NH+](C)C)Cc3ccsc3)o2)cc1 ZINC000458203938 822968258 /nfs/dbraw/zinc/96/82/58/822968258.db2.gz QAFNYJLNIZBWDF-UHFFFAOYSA-N 1 0 396.512 4.415 20 0 GIADRO C[N@@H+]1CCC[C@@H](CCNC(=O)C(C)(C)c2csc(-c3ccccc3F)n2)C1 ZINC000458203003 822968283 /nfs/dbraw/zinc/96/82/83/822968283.db2.gz JAWFXFKCSZOGGM-HNNXBMFYSA-N 1 0 389.540 4.075 20 0 GIADRO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)N1CCC(c2ccsc2)CC1 ZINC000186857895 822969247 /nfs/dbraw/zinc/96/92/47/822969247.db2.gz ZPHVEFYSBOIIPC-HXUWFJFHSA-N 1 0 397.588 4.202 20 0 GIADRO Cc1ccccc1C1(CNC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)CC1 ZINC000458214972 822969681 /nfs/dbraw/zinc/96/96/81/822969681.db2.gz BHCDKRBMIHWPEN-UHFFFAOYSA-N 1 0 397.485 4.085 20 0 GIADRO Cc1cccc(Br)c1C(=O)Nc1ccc(OCC[NH+](C)C)c(C)c1 ZINC000458217325 822969897 /nfs/dbraw/zinc/96/98/97/822969897.db2.gz QIWLGABBTQSEPI-UHFFFAOYSA-N 1 0 391.309 4.259 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)Nc2scc(C3CC3)c2C(=O)OCC)CC1 ZINC000175448848 822971364 /nfs/dbraw/zinc/97/13/64/822971364.db2.gz CMTDYLPWWGBVJQ-UHFFFAOYSA-N 1 0 393.553 4.140 20 0 GIADRO COCCC[NH+]1CCC(NC(=O)N2CC3(CCCCC3)[C@@H]2c2ccccc2)CC1 ZINC000458230688 822971564 /nfs/dbraw/zinc/97/15/64/822971564.db2.gz GQMPGAIRAREBGB-QFIPXVFZSA-N 1 0 399.579 4.204 20 0 GIADRO Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+]CCCCCS(C)(=O)=O ZINC000186871603 822971913 /nfs/dbraw/zinc/97/19/13/822971913.db2.gz DBOXZPKSKDTGAL-ZDUSSCGKSA-N 1 0 384.542 4.123 20 0 GIADRO Cc1cc(NC(=O)c2cc(NC(=O)C(C)(C)C)ccc2F)ccc1C[NH+](C)C ZINC000458263961 822975311 /nfs/dbraw/zinc/97/53/11/822975311.db2.gz BADSGPMIWUAXQQ-UHFFFAOYSA-N 1 0 385.483 4.433 20 0 GIADRO C/C(=C\C(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccccc1OC(F)F ZINC000175464036 822975473 /nfs/dbraw/zinc/97/54/73/822975473.db2.gz BWHOUPQVFAGOAR-CCEZHUSRSA-N 1 0 378.463 4.215 20 0 GIADRO CCNC(=O)c1cccc(NC(=O)C[NH2+][C@H](C)c2ccc(F)c3ccccc32)c1 ZINC000569848526 822975517 /nfs/dbraw/zinc/97/55/17/822975517.db2.gz SUHGTCZIVMGVIC-OAHLLOKOSA-N 1 0 393.462 4.018 20 0 GIADRO C[C@@H](Cc1cccc(F)c1)N(C)C(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000458268168 822976014 /nfs/dbraw/zinc/97/60/14/822976014.db2.gz HXGLVCDNMOIDRV-KRWDZBQOSA-N 1 0 386.536 4.078 20 0 GIADRO Cc1ncc(C(=O)Nc2ccc(OCC[NH+](C)C)c(F)c2)c(Cl)c1Cl ZINC000458275730 822976889 /nfs/dbraw/zinc/97/68/89/822976889.db2.gz CVKIEFXMIQGNTI-UHFFFAOYSA-N 1 0 386.254 4.029 20 0 GIADRO COc1ccc(C(C)(C)C[NH2+]Cc2cn3ccc(Br)cc3n2)cc1 ZINC000569860999 822977453 /nfs/dbraw/zinc/97/74/53/822977453.db2.gz PBVKAPAIBHSONM-UHFFFAOYSA-N 1 0 388.309 4.173 20 0 GIADRO Cc1ccc(C)n1-c1nc(CC(=O)Nc2ccc(C[NH+](C)C)c(C)c2)cs1 ZINC000458283745 822977867 /nfs/dbraw/zinc/97/78/67/822977867.db2.gz MIYDDRGANSCVQU-UHFFFAOYSA-N 1 0 382.533 4.102 20 0 GIADRO CC[C@H](C)n1ncc(C(=O)Nc2ccc(OCC[NH+](C)C)c(F)c2)c1C1CC1 ZINC000458284819 822978143 /nfs/dbraw/zinc/97/81/43/822978143.db2.gz JPQXNDNSEAETLC-AWEZNQCLSA-N 1 0 388.487 4.063 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)c2cc(C(F)(F)F)ccc2F)cc1F ZINC000458291721 822979289 /nfs/dbraw/zinc/97/92/89/822979289.db2.gz NXTUDEUANKPZNP-UHFFFAOYSA-N 1 0 388.336 4.176 20 0 GIADRO CC[C@@H]([NH2+]Cc1cc2ccccc2o1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000569877058 822979376 /nfs/dbraw/zinc/97/93/76/822979376.db2.gz RQCXOROSSMHBLX-QGZVFWFLSA-N 1 0 392.908 4.235 20 0 GIADRO CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)cc1 ZINC000055561846 822979644 /nfs/dbraw/zinc/97/96/44/822979644.db2.gz GFFRFZXGUUPAHP-UHFFFAOYSA-N 1 0 399.922 4.326 20 0 GIADRO C[C@@H]([NH2+]C[C@H](c1ccco1)N1CCCCC1)c1ncc(Br)cc1F ZINC000186921521 822980266 /nfs/dbraw/zinc/98/02/66/822980266.db2.gz IXRBYCYBLWMNFB-CZUORRHYSA-N 1 0 396.304 4.454 20 0 GIADRO O=C(Nc1ccc(OCc2ccccc2Cl)cc1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000175486832 822980985 /nfs/dbraw/zinc/98/09/85/822980985.db2.gz MXXPWXWJTLNUQT-IBGZPJMESA-N 1 0 397.906 4.397 20 0 GIADRO Cc1ccc(-c2c[nH]cc2C(=O)Nc2ccc(OCC[NH+](C)C)c(F)c2)s1 ZINC000458304677 822981075 /nfs/dbraw/zinc/98/10/75/822981075.db2.gz ZCNFFSICYHTRMI-UHFFFAOYSA-N 1 0 387.480 4.383 20 0 GIADRO Cn1cc([C@H](NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c2ccccc2)cn1 ZINC000569891934 822981553 /nfs/dbraw/zinc/98/15/53/822981553.db2.gz HCZQSINOGNWJEI-RCZVLFRGSA-N 1 0 388.559 4.401 20 0 GIADRO CCCOc1ccc([C@@H](C)[NH2+][C@@H](C)C2CCS(=O)(=O)CC2)cc1OCCC ZINC000186929798 822982259 /nfs/dbraw/zinc/98/22/59/822982259.db2.gz CZPNFYRDBMQLGH-DLBZAZTESA-N 1 0 397.581 4.128 20 0 GIADRO CC1(CO)CC[NH+](Cc2c(-c3ccc(Cl)cc3)nc3sccn23)CC1 ZINC000186932552 822982675 /nfs/dbraw/zinc/98/26/75/822982675.db2.gz ZSXWUQZZXJYDTN-UHFFFAOYSA-N 1 0 375.925 4.311 20 0 GIADRO O=C(NC12CCC(C(F)(F)F)(CC1)CC2)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000569905805 822983979 /nfs/dbraw/zinc/98/39/79/822983979.db2.gz VTMUWAOOSVVKOH-QHGAOEGBSA-N 1 0 395.469 4.065 20 0 GIADRO O=C(Nc1ccnc(Sc2ccccn2)c1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000569909051 822984609 /nfs/dbraw/zinc/98/46/09/822984609.db2.gz GJWPGRTZCLKWOT-FUHWJXTLSA-N 1 0 397.548 4.014 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)N2CC[C@@]3(C2)OCc2ccccc23)cc1)C(C)C ZINC000186949396 822985108 /nfs/dbraw/zinc/98/51/08/822985108.db2.gz VMFPILFVJSLODP-DEOSSOPVSA-N 1 0 378.516 4.189 20 0 GIADRO CC(=O)Nc1ccc(C)c(C(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)c1 ZINC000186956134 822986421 /nfs/dbraw/zinc/98/64/21/822986421.db2.gz PHLZVQYRIBQRGZ-SFHVURJKSA-N 1 0 393.531 4.347 20 0 GIADRO Cc1noc(C)c1C(=O)C(C(=S)Nc1ccccc1Cl)[n+]1ccccc1 ZINC000186956400 822986655 /nfs/dbraw/zinc/98/66/55/822986655.db2.gz ITCHVJHFFGOJRD-UHFFFAOYSA-O 1 0 386.884 4.283 20 0 GIADRO C[C@H](N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1ncc(Br)cc1F ZINC000186961306 822987671 /nfs/dbraw/zinc/98/76/71/822987671.db2.gz YUFLAAIDSHQPDM-KSSFIOAISA-N 1 0 392.316 4.471 20 0 GIADRO Cc1cccc(CN(C)C(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCCC2)n1 ZINC000458367873 822987741 /nfs/dbraw/zinc/98/77/41/822987741.db2.gz IKMSWOLLRNCEEP-LJQANCHMSA-N 1 0 380.536 4.195 20 0 GIADRO COc1cc(C[NH2+]Cc2cccc(COCc3ccco3)c2)cc(OC)c1O ZINC000569956225 822989694 /nfs/dbraw/zinc/98/96/94/822989694.db2.gz BTFAYKVFZROETK-UHFFFAOYSA-N 1 0 383.444 4.009 20 0 GIADRO COc1ccc(C[NH2+]CCc2cccnc2OC)cc1OCc1ccccc1 ZINC000569974757 822992032 /nfs/dbraw/zinc/99/20/32/822992032.db2.gz XIDZSWGUMUZDEH-UHFFFAOYSA-N 1 0 378.472 4.010 20 0 GIADRO O=C([C@H]1CC=CCC1)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000175531910 822992178 /nfs/dbraw/zinc/99/21/78/822992178.db2.gz NPRSNVMGKQKPNT-OALUTQOASA-N 1 0 380.454 4.256 20 0 GIADRO O=C(C[C@H]1C=CCC1)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000175533390 822992356 /nfs/dbraw/zinc/99/23/56/822992356.db2.gz WJLIQDWEBHAKKC-HKUYNNGSSA-N 1 0 380.454 4.256 20 0 GIADRO CCc1nc(C)c([C@H](C)N(C)C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)s1 ZINC000175535386 822992773 /nfs/dbraw/zinc/99/27/73/822992773.db2.gz BCWOTIUDHFADNX-JZXOWHBKSA-N 1 0 394.629 4.474 20 0 GIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NC[C@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000569982686 822993313 /nfs/dbraw/zinc/99/33/13/822993313.db2.gz QTOBUWHQGKJLFR-JBJBFBLISA-N 1 0 393.531 4.041 20 0 GIADRO CC(=O)c1ccc(Oc2ccc(C(=O)N(C)CC3([NH+](C)C)CCC3)cc2)cc1 ZINC000186992454 822993498 /nfs/dbraw/zinc/99/34/98/822993498.db2.gz CAGQLBNGFCIFAO-UHFFFAOYSA-N 1 0 380.488 4.238 20 0 GIADRO Cc1cc(Br)cc([C@H](C)[NH2+]C2CCN(c3ccccn3)CC2)c1O ZINC000187006063 822996028 /nfs/dbraw/zinc/99/60/28/822996028.db2.gz VBPAOXCWXXJSNZ-AWEZNQCLSA-N 1 0 390.325 4.178 20 0 GIADRO CCSc1cc(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)ccn1 ZINC000187019886 822998581 /nfs/dbraw/zinc/99/85/81/822998581.db2.gz ICUWMZZIDUZQRL-YLJYHZDGSA-N 1 0 398.576 4.046 20 0 GIADRO O=C(c1ccc(Oc2ccccc2)cn1)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000570031225 822999112 /nfs/dbraw/zinc/99/91/12/822999112.db2.gz URZGEFRCNDNJCX-LJQANCHMSA-N 1 0 385.467 4.499 20 0 GIADRO Cc1cnc(NC(=O)N2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000570044860 823000200 /nfs/dbraw/zinc/00/02/00/823000200.db2.gz JEEAGBGPTZKUSJ-IBGZPJMESA-N 1 0 382.508 4.138 20 0 GIADRO Cc1cnc2cc(C(=O)N3CCC[C@@H]3Cc3ccccc3Br)ccn12 ZINC000570060445 823001724 /nfs/dbraw/zinc/00/17/24/823001724.db2.gz VEHSDZHMURSWBN-QGZVFWFLSA-N 1 0 398.304 4.253 20 0 GIADRO Cc1ccc([C@H]([NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)C2CCC2)cc1 ZINC000187047013 823003459 /nfs/dbraw/zinc/00/34/59/823003459.db2.gz XZCUKVLTJMJOQB-HTAPYJJXSA-N 1 0 386.561 4.437 20 0 GIADRO COc1ccc(OCCC[NH2+][C@H](C)c2ncc(Br)cc2F)cc1 ZINC000187056295 823004723 /nfs/dbraw/zinc/00/47/23/823004723.db2.gz ONPYWEXNCKHQKT-GFCCVEGCSA-N 1 0 383.261 4.112 20 0 GIADRO COc1cccc([C@@H]2[C@@H]([NH2+][C@H](C)c3ccc(OC)c(O)c3)CCN2C2CC2)c1 ZINC000570090648 823004914 /nfs/dbraw/zinc/00/49/14/823004914.db2.gz VGOOTKHRNIPTDP-ZNRXUEPQSA-N 1 0 382.504 4.038 20 0 GIADRO CC(C)C[C@H]([NH3+])c1noc(-c2csc(-c3cnn(-c4ccccc4)c3)n2)n1 ZINC000570091504 823005026 /nfs/dbraw/zinc/00/50/26/823005026.db2.gz AWMCSLXELSXMDK-HNNXBMFYSA-N 1 0 380.477 4.092 20 0 GIADRO c1ccc(N2CC[NH+](CCc3ccncc3)CC2)c(N[C@@H]2CC[C@H]2C2CC2)c1 ZINC000570103317 823006048 /nfs/dbraw/zinc/00/60/48/823006048.db2.gz UXFVCSRPNAHFHT-FCHUYYIVSA-N 1 0 376.548 4.047 20 0 GIADRO COC(=O)c1cccc(C[NH2+][C@H](C)c2cccc(OCc3ccccc3)c2)n1 ZINC000570125944 823007973 /nfs/dbraw/zinc/00/79/73/823007973.db2.gz UKLSPKZIAURFSH-QGZVFWFLSA-N 1 0 376.456 4.298 20 0 GIADRO CCC(=O)N1CCCC[C@@H]1c1nc(-c2ccc(C[NH+]3CCC(C)CC3)cc2)no1 ZINC000570126319 823008031 /nfs/dbraw/zinc/00/80/31/823008031.db2.gz JRWBHAHBGBOTGI-HXUWFJFHSA-N 1 0 396.535 4.432 20 0 GIADRO CN(CCCCNC(=O)c1oc2ccccc2c1C[NH+](C)C)c1ccccc1 ZINC000175620963 823008241 /nfs/dbraw/zinc/00/82/41/823008241.db2.gz VYOUYBFDDILICT-UHFFFAOYSA-N 1 0 379.504 4.141 20 0 GIADRO Cc1ccncc1CCC[N@@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000570127937 823008466 /nfs/dbraw/zinc/00/84/66/823008466.db2.gz NSYVOURKBRCOFX-IBGZPJMESA-N 1 0 380.467 4.391 20 0 GIADRO C[C@H]1C[C@H](NC(=O)N(C)Cc2ccc(F)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000175634905 823010336 /nfs/dbraw/zinc/01/03/36/823010336.db2.gz KVQGDKZWSBAFBR-QFBILLFUSA-N 1 0 387.474 4.159 20 0 GIADRO Cc1nc2cc(NC(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)ccc2o1 ZINC000175635085 823010362 /nfs/dbraw/zinc/01/03/62/823010362.db2.gz GWOTVZLYDZPIEE-DNVCBOLYSA-N 1 0 378.476 4.311 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)N(C)Cc2ccc(F)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000175634891 823010419 /nfs/dbraw/zinc/01/04/19/823010419.db2.gz KVQGDKZWSBAFBR-VQIMIIECSA-N 1 0 387.474 4.159 20 0 GIADRO C[C@H](NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1cccc(OC(F)(F)F)c1 ZINC000175636134 823010625 /nfs/dbraw/zinc/01/06/25/823010625.db2.gz FEWIJDFJKPXPRQ-DOTOQJQBSA-N 1 0 399.457 4.306 20 0 GIADRO CCN(C(=O)N[C@@H](C)c1cccc(O)c1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000570153074 823010886 /nfs/dbraw/zinc/01/08/86/823010886.db2.gz YXFIHBGHXWOMAR-WAOWUJCRSA-N 1 0 381.520 4.320 20 0 GIADRO Cc1cccnc1CCc1noc([C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)n1 ZINC000570163248 823011463 /nfs/dbraw/zinc/01/14/63/823011463.db2.gz FSJKSQAKMUFEEN-SFHVURJKSA-N 1 0 398.457 4.183 20 0 GIADRO CCCC[NH+]1CCC(NC(=O)Nc2cccc(NC(=O)OCC(C)C)c2)CC1 ZINC000175644831 823012040 /nfs/dbraw/zinc/01/20/40/823012040.db2.gz XUSRLMLYPQDUKQ-UHFFFAOYSA-N 1 0 390.528 4.277 20 0 GIADRO Cc1cnc(C(C)(C)NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)s1 ZINC000175646526 823012358 /nfs/dbraw/zinc/01/23/58/823012358.db2.gz LUYWSOUVAGVCRA-QAPCUYQASA-N 1 0 386.565 4.039 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Cc1noc2ccc(F)cc21 ZINC000570183477 823013102 /nfs/dbraw/zinc/01/31/02/823013102.db2.gz ORQHDJWOJWQFEV-MRXNPFEDSA-N 1 0 395.478 4.200 20 0 GIADRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1cnc(-c2ccccc2F)s1 ZINC000175652587 823013264 /nfs/dbraw/zinc/01/32/64/823013264.db2.gz DBRUAVCWLKMLCZ-UHFFFAOYSA-N 1 0 389.521 4.215 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)CCc1ncc(C(C)(C)C)o1 ZINC000187118911 823013355 /nfs/dbraw/zinc/01/33/55/823013355.db2.gz YUKKBIOJZUNYSE-GOSISDBHSA-N 1 0 383.536 4.028 20 0 GIADRO CCOc1ccc(C[NH2+]Cc2cc(-c3ccncc3)ccc2OC)cc1OC ZINC000187121229 823013693 /nfs/dbraw/zinc/01/36/93/823013693.db2.gz RAHFNVCNTMZWHB-UHFFFAOYSA-N 1 0 378.472 4.454 20 0 GIADRO C[NH+](C)CCN(Cc1cccs1)C(=O)CCCc1nc2ccccc2s1 ZINC000175655478 823013731 /nfs/dbraw/zinc/01/37/31/823013731.db2.gz PGPJBJWLCNZXOY-UHFFFAOYSA-N 1 0 387.574 4.271 20 0 GIADRO CC[NH+](CC)Cc1ccc(-c2nc(COCc3ccc(OC)cc3)no2)cc1 ZINC000570199911 823014536 /nfs/dbraw/zinc/01/45/36/823014536.db2.gz TZOUFHBLYXYICJ-UHFFFAOYSA-N 1 0 381.476 4.304 20 0 GIADRO Cc1ccc(-c2nc(CC(=O)N(CC[NH+](C)C)Cc3cccs3)cs2)cc1 ZINC000175666502 823015975 /nfs/dbraw/zinc/01/59/75/823015975.db2.gz WYGGRHJYJDISRM-UHFFFAOYSA-N 1 0 399.585 4.313 20 0 GIADRO C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+][C@H](C)C1CCSCC1 ZINC000187138918 823016481 /nfs/dbraw/zinc/01/64/81/823016481.db2.gz AUKBNQOKVDQNQZ-IAGOWNOFSA-N 1 0 375.582 4.125 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCCc2ccc3[nH]ccc3c2)C1 ZINC000570239190 823017674 /nfs/dbraw/zinc/01/76/74/823017674.db2.gz XHZLZMCRCJXTRM-QUCCMNQESA-N 1 0 382.552 4.006 20 0 GIADRO C[N@H+](Cc1csc(CNC(=O)c2ccccc2)n1)[C@@H]1CCc2ccccc2C1 ZINC000175674302 823017741 /nfs/dbraw/zinc/01/77/41/823017741.db2.gz WPZASJSJFDSZQA-OAQYLSRUSA-N 1 0 391.540 4.062 20 0 GIADRO NC(=O)c1ccc(C[NH2+][C@H]2CCCc3c4cc(Br)ccc4[nH]c32)cc1 ZINC000570242159 823018170 /nfs/dbraw/zinc/01/81/70/823018170.db2.gz VUBMBFNWDKBHFX-SFHVURJKSA-N 1 0 398.304 4.197 20 0 GIADRO CN1C(=O)CCc2cc(C[NH2+]CC3(c4cccc(Cl)c4)CCOCC3)ccc21 ZINC000187158098 823018889 /nfs/dbraw/zinc/01/88/89/823018889.db2.gz YGZREPWSKLKOGP-UHFFFAOYSA-N 1 0 398.934 4.087 20 0 GIADRO C[C@@H](NC(=O)c1ccccc1OCC[NH+](C)C)c1ccc(-c2cccnc2)cc1 ZINC000175680891 823019006 /nfs/dbraw/zinc/01/90/06/823019006.db2.gz FHUVVADQAPLSQI-GOSISDBHSA-N 1 0 389.499 4.180 20 0 GIADRO C[C@@H]1CN(c2ccc(C[NH2+]Cc3cscc3C(F)(F)F)cn2)C[C@@H](C)O1 ZINC000570250246 823019133 /nfs/dbraw/zinc/01/91/33/823019133.db2.gz MUUBBTPRRRIOHV-CHWSQXEVSA-N 1 0 385.455 4.065 20 0 GIADRO C[C@H](C[NH2+]Cc1cc(O)cc(C(F)(F)F)c1)c1nc(-c2ccccc2)no1 ZINC000570249726 823019238 /nfs/dbraw/zinc/01/92/38/823019238.db2.gz CKRSTAQWTYRYMI-GFCCVEGCSA-N 1 0 377.366 4.354 20 0 GIADRO CCCc1cccc(C[NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)c1 ZINC000187162950 823019539 /nfs/dbraw/zinc/01/95/39/823019539.db2.gz WPTXIOKUHFXEPC-RTBURBONSA-N 1 0 380.532 4.178 20 0 GIADRO COc1c(Br)cccc1C[NH2+][C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000187170165 823020285 /nfs/dbraw/zinc/02/02/85/823020285.db2.gz GIIFMRWFYCDWJO-MSOLQXFVSA-N 1 0 376.294 4.468 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+][C@H](C)C1CCS(=O)(=O)CC1 ZINC000187170296 823020356 /nfs/dbraw/zinc/02/03/56/823020356.db2.gz UWECHPTZPUCALB-CHWSQXEVSA-N 1 0 396.553 4.122 20 0 GIADRO C[C@@H](NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1)[C@H](c1ccccc1)[NH+](C)C ZINC000187174774 823020941 /nfs/dbraw/zinc/02/09/41/823020941.db2.gz SLLSNSYXCQXTIW-QVKFZJNVSA-N 1 0 397.906 4.345 20 0 GIADRO O[C@H](C[NH2+]Cc1nc(C2CC2)cs1)Cn1c2ccccc2c2ccccc21 ZINC000570272765 823021648 /nfs/dbraw/zinc/02/16/48/823021648.db2.gz JEJHPMZOQWEIHA-MRXNPFEDSA-N 1 0 377.513 4.279 20 0 GIADRO COc1cc(SC)ccc1NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000570273081 823021720 /nfs/dbraw/zinc/02/17/20/823021720.db2.gz FNQOBAOVIJOZNC-KRWDZBQOSA-N 1 0 389.521 4.359 20 0 GIADRO C[NH+](C)Cc1c2ccccc2oc1C(=O)Nc1ccc2nnc(C3CCC3)n2c1 ZINC000187188430 823022612 /nfs/dbraw/zinc/02/26/12/823022612.db2.gz SWWYTMINXCLYKD-UHFFFAOYSA-N 1 0 389.459 4.057 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)c2cc(-c3cccs3)on2)CC1 ZINC000175701843 823023352 /nfs/dbraw/zinc/02/33/52/823023352.db2.gz RBDUWQLJLJDFGU-UHFFFAOYSA-N 1 0 381.501 4.140 20 0 GIADRO COC1CC[NH+](C2(CNC(=O)CCCc3ccccc3Cl)CCCC2)CC1 ZINC000570313725 823024844 /nfs/dbraw/zinc/02/48/44/823024844.db2.gz JTKRTPIWTGKWRM-UHFFFAOYSA-N 1 0 392.971 4.203 20 0 GIADRO CCC[NH+]1CCN(c2ccc(NC(=O)[C@@H](C)c3ccccc3)c(OCC)c2)CC1 ZINC000570314896 823025045 /nfs/dbraw/zinc/02/50/45/823025045.db2.gz QYPHJKCBQIDOIY-IBGZPJMESA-N 1 0 395.547 4.360 20 0 GIADRO C[C@H](NC(=O)N1CCc2ccccc2[C@H]1C[NH3+])c1ccccc1C(F)(F)F ZINC000570329209 823026311 /nfs/dbraw/zinc/02/63/11/823026311.db2.gz CFITVQTYHWTVDG-SCLBCKFNSA-N 1 0 377.410 4.034 20 0 GIADRO CC[C@@H](C)n1ncc(NC(=O)N(Cc2ccncc2)C[C@@H]2CCC[N@@H+]2CC)c1C ZINC000570340910 823027095 /nfs/dbraw/zinc/02/70/95/823027095.db2.gz RPUWFKWMDYYEOF-XLIONFOSSA-N 1 0 398.555 4.076 20 0 GIADRO Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+][C@@H](C)C1CCS(=O)(=O)CC1 ZINC000187226225 823027532 /nfs/dbraw/zinc/02/75/32/823027532.db2.gz MTAWTMGAFLTAES-QFBILLFUSA-N 1 0 377.575 4.143 20 0 GIADRO C[NH+](C)C[C@@H](NC(=O)CCc1cc(Br)cs1)c1ccc(F)cc1 ZINC000570356964 823028519 /nfs/dbraw/zinc/02/85/19/823028519.db2.gz AKOBPLNCDAISRT-MRXNPFEDSA-N 1 0 399.329 4.001 20 0 GIADRO O=C(NCc1nc(C[N@@H+]2CC[C@H](Cc3ccccc3)C2)cs1)c1ccccc1 ZINC000175733018 823028591 /nfs/dbraw/zinc/02/85/91/823028591.db2.gz MNPWGIBFNFAJGM-LJQANCHMSA-N 1 0 391.540 4.138 20 0 GIADRO Cc1nc(-c2cccc(-c3nc([C@H]4C[N@@H+]5CCC[C@@]5(C)CO4)no3)c2)cs1 ZINC000570365875 823029579 /nfs/dbraw/zinc/02/95/79/823029579.db2.gz TWBARTGHWWHWJG-XLIONFOSSA-N 1 0 382.489 4.094 20 0 GIADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)Nc1cccc(COC2CCCCC2)c1 ZINC000175740423 823030011 /nfs/dbraw/zinc/03/00/11/823030011.db2.gz HAEKYCGXKZQHLW-JOCHJYFZSA-N 1 0 388.552 4.268 20 0 GIADRO COc1c(Br)cccc1C[NH2+]C[C@H](O)c1ccc(OC(C)C)cc1 ZINC000187246474 823030093 /nfs/dbraw/zinc/03/00/93/823030093.db2.gz WDHNOVVLRXASCJ-SFHVURJKSA-N 1 0 394.309 4.068 20 0 GIADRO O=C1[C@H]([NH2+]C2CCC3(CCCO3)CC2)CCN1c1ccc(Cl)cc1Cl ZINC000570370215 823030387 /nfs/dbraw/zinc/03/03/87/823030387.db2.gz SWLXYDLGQXSPMZ-NLGTXKQRSA-N 1 0 383.319 4.180 20 0 GIADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]C[C@@H]1CCCO[C@H]1C(C)(C)C ZINC000187250246 823030573 /nfs/dbraw/zinc/03/05/73/823030573.db2.gz MZZUHLRWKIUJLQ-MAUKXSAKSA-N 1 0 387.973 4.065 20 0 GIADRO C[C@H]([NH2+]C1CCN(Cc2ccc(F)cc2)CC1)c1ccc(Br)cn1 ZINC000570378070 823031586 /nfs/dbraw/zinc/03/15/86/823031586.db2.gz UYVDBIZEXUMQLY-AWEZNQCLSA-N 1 0 392.316 4.298 20 0 GIADRO O=C(Nc1cc(F)ccc1OCC1CC1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000570380737 823031751 /nfs/dbraw/zinc/03/17/51/823031751.db2.gz BSZKYFOYJYMENF-APWZRJJASA-N 1 0 375.488 4.001 20 0 GIADRO CC[C@@H](Cc1ccccc1)[NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC000570384624 823031865 /nfs/dbraw/zinc/03/18/65/823031865.db2.gz OBAVUZYWBZLMAB-KRWDZBQOSA-N 1 0 385.451 4.220 20 0 GIADRO Cc1ccc(-c2nnco2)cc1NC(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000570390445 823032255 /nfs/dbraw/zinc/03/22/55/823032255.db2.gz PARDGDJBUWUCLY-UHFFFAOYSA-N 1 0 397.523 4.213 20 0 GIADRO Cc1sc(CCNC(=O)c2cccc(C[NH+](C)C)c2)nc1-c1ccccc1 ZINC000175757366 823032855 /nfs/dbraw/zinc/03/28/55/823032855.db2.gz PPLBYFQPNWDSDE-UHFFFAOYSA-N 1 0 379.529 4.153 20 0 GIADRO CCc1nocc1CN(C)C(=O)NCC(CC)(CC)[NH2+][C@@H](C)c1ccccc1 ZINC000458374270 823033658 /nfs/dbraw/zinc/03/36/58/823033658.db2.gz OFBIODXDIUVZBK-KRWDZBQOSA-N 1 0 386.540 4.288 20 0 GIADRO C[C@H](C(=O)N(c1nccs1)C1CCCCC1)N1CC[C@H](c2ccncc2)C1 ZINC000570408106 823033914 /nfs/dbraw/zinc/03/39/14/823033914.db2.gz WJRPYJAEZWNXLW-AEFFLSMTSA-N 1 0 384.549 4.082 20 0 GIADRO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000458387608 823035492 /nfs/dbraw/zinc/03/54/92/823035492.db2.gz XPMODGFGXALSEL-HVXWDBPDSA-N 1 0 379.548 4.012 20 0 GIADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc(Oc2ccccc2F)nc1 ZINC000570421954 823035769 /nfs/dbraw/zinc/03/57/69/823035769.db2.gz ZVEFKJDGEAMHTR-QAPCUYQASA-N 1 0 384.455 4.104 20 0 GIADRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NCc1cc(F)cc2c1OCOC2 ZINC000570423302 823036044 /nfs/dbraw/zinc/03/60/44/823036044.db2.gz UVRQWRYEHHOGGR-OAQYLSRUSA-N 1 0 384.495 4.083 20 0 GIADRO Cc1ccc(-c2cnc(CCC(=O)N[C@H](C)C[NH+]3C[C@@H](C)C[C@H](C)C3)o2)cc1 ZINC000055749798 823036621 /nfs/dbraw/zinc/03/66/21/823036621.db2.gz XSOZTIMFDGHQRZ-GBESFXJTSA-N 1 0 383.536 4.065 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@@H]2C[C@H]2c2ccccc2F)CC1 ZINC000458409989 823037528 /nfs/dbraw/zinc/03/75/28/823037528.db2.gz MUTIBLHYGQWBMP-QGCDCVKKSA-N 1 0 381.495 4.206 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@H]2C2CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000458411146 823037680 /nfs/dbraw/zinc/03/76/80/823037680.db2.gz ZAHVVOWZVKLREN-NZSAHSFTSA-N 1 0 395.469 4.282 20 0 GIADRO C[C@H](C(=O)N1CCC[C@H](c2ccncc2)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000570434685 823037827 /nfs/dbraw/zinc/03/78/27/823037827.db2.gz GCIZIYCOHYZFBW-YKSBVNFPSA-N 1 0 391.559 4.131 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@H]2C2CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000458411145 823037882 /nfs/dbraw/zinc/03/78/82/823037882.db2.gz ZAHVVOWZVKLREN-NEWSRXKRSA-N 1 0 395.469 4.282 20 0 GIADRO C[C@@H]([NH2+]C1(CNC(=O)Nc2ccc([S@](C)=O)cc2)CCCC1)c1ccccc1 ZINC000175779115 823038289 /nfs/dbraw/zinc/03/82/89/823038289.db2.gz YHMSQCYIVIXZRL-UULLZXFKSA-N 1 0 399.560 4.209 20 0 GIADRO Cc1ccc([C@@H](C)CNC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000458423307 823038630 /nfs/dbraw/zinc/03/86/30/823038630.db2.gz RHVMOCRPCKMCPW-INIZCTEOSA-N 1 0 385.474 4.157 20 0 GIADRO CCOc1ccc(C[N@H+](C)C2CCN(CCc3ccccn3)CC2)cc1OCC ZINC000175784751 823039636 /nfs/dbraw/zinc/03/96/36/823039636.db2.gz YPIGQIRWSVAZBG-UHFFFAOYSA-N 1 0 397.563 4.018 20 0 GIADRO O=C(NCCCc1ccc(Cl)cc1Cl)N1CCC([NH+]2CCCC2)CC1 ZINC000175786035 823039797 /nfs/dbraw/zinc/03/97/97/823039797.db2.gz MHHHGRKWSSGTNE-UHFFFAOYSA-N 1 0 384.351 4.196 20 0 GIADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1c2c(nc3ccccc31)/C(=C\c1ccccc1)CC2 ZINC000570454380 823040128 /nfs/dbraw/zinc/04/01/28/823040128.db2.gz LDWCINNOYABGIC-GAKYRZRKSA-N 1 0 383.495 4.283 20 0 GIADRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCC[C@]3(CCSC3)C2)[C@@H]1c1cccs1 ZINC000458443059 823040890 /nfs/dbraw/zinc/04/08/90/823040890.db2.gz WTGREBMEJJFEOJ-POAQFYNOSA-N 1 0 393.622 4.060 20 0 GIADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N[C@H]1CCc2cc(N)ccc21 ZINC000570464730 823041461 /nfs/dbraw/zinc/04/14/61/823041461.db2.gz XUEWOLSTUCBNRJ-SBUREZEXSA-N 1 0 392.547 4.130 20 0 GIADRO Cc1occc1C[N@H+](C)CCC(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000570472594 823042681 /nfs/dbraw/zinc/04/26/81/823042681.db2.gz OOCFFBYWLPFHCH-UHFFFAOYSA-N 1 0 376.456 4.280 20 0 GIADRO C[C@H](NC(=O)Nc1ccc(-c2cc[nH]n2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000570473552 823042836 /nfs/dbraw/zinc/04/28/36/823042836.db2.gz YCVOFULUMMXKML-PXNSSMCTSA-N 1 0 389.503 4.109 20 0 GIADRO CCc1nnc(-c2ccc(NC(=O)[C@H](c3ccccc3)[NH+](CC)CC)cc2)o1 ZINC000175798322 823042972 /nfs/dbraw/zinc/04/29/72/823042972.db2.gz ZSVWYZBJHVVKHB-FQEVSTJZSA-N 1 0 378.476 4.321 20 0 GIADRO CC(C)[N@H+](CCc1nccs1)C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000187327901 823044144 /nfs/dbraw/zinc/04/41/44/823044144.db2.gz VEWYOAAPXGYRFU-OAHLLOKOSA-N 1 0 387.318 4.031 20 0 GIADRO C[C@H](CNC(=O)C1(c2ccc(Br)cc2)CCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000060554679 823541788 /nfs/dbraw/zinc/54/17/88/823541788.db2.gz XPMFFSCJZRRWGX-HZPDHXFCSA-N 1 0 393.369 4.107 20 0 GIADRO O=C(NCCC[NH+]1CCCCCC1)c1ccccc1CSC1=NCCS1 ZINC000123810160 823542286 /nfs/dbraw/zinc/54/22/86/823542286.db2.gz NBUVHNIJPUBVRM-UHFFFAOYSA-N 1 0 391.606 4.019 20 0 GIADRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)Nc1cccc(C(F)(F)F)n1 ZINC000123809363 823542370 /nfs/dbraw/zinc/54/23/70/823542370.db2.gz OESTVLMLTFGFLP-UHFFFAOYSA-N 1 0 398.454 4.196 20 0 GIADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)NCc1cccc2ccccc21 ZINC000060565877 823543006 /nfs/dbraw/zinc/54/30/06/823543006.db2.gz MENQZAZCXKORQQ-UHFFFAOYSA-N 1 0 375.516 4.156 20 0 GIADRO C[N@@H+]1CC[C@@H](CNC(=O)Cc2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123829091 823543779 /nfs/dbraw/zinc/54/37/79/823543779.db2.gz HFZKIRQKCDIPDF-YWZLYKJASA-N 1 0 395.305 4.484 20 0 GIADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)NCC(C)(C)c2cccc(Cl)c2)o1 ZINC000060575910 823544043 /nfs/dbraw/zinc/54/40/43/823544043.db2.gz DREWFPQLWVQIEC-UHFFFAOYSA-N 1 0 391.943 4.292 20 0 GIADRO COc1ccc([C@H](C)[NH2+]CCOc2ccc(C(F)(F)F)cc2)cc1NC(C)=O ZINC000177903331 823544176 /nfs/dbraw/zinc/54/41/76/823544176.db2.gz IYOZZPVZMOOWCU-ZDUSSCGKSA-N 1 0 396.409 4.402 20 0 GIADRO Brc1ccc2c(c1)OCCC[C@H]2[NH2+]Cc1cccnc1-n1cccn1 ZINC000177906703 823544648 /nfs/dbraw/zinc/54/46/48/823544648.db2.gz VLAQBUQOMOBXRU-QGZVFWFLSA-N 1 0 399.292 4.033 20 0 GIADRO CCc1nc(C)c([C@@H](C)[NH2+]CC(=O)Nc2ccc(Br)cc2)s1 ZINC000177907529 823544789 /nfs/dbraw/zinc/54/47/89/823544789.db2.gz QBKAXDQDZGCMKL-SNVBAGLBSA-N 1 0 382.327 4.066 20 0 GIADRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CC(=O)Nc3ccccc3)s2)cc1 ZINC000177910047 823545180 /nfs/dbraw/zinc/54/51/80/823545180.db2.gz XQBPRIRDDSNSBZ-CQSZACIVSA-N 1 0 381.501 4.416 20 0 GIADRO CCN(C(=O)N(CC)C1CCN(c2cc(C)nc(C(C)C)n2)CC1)C(C)C ZINC000460935552 823545757 /nfs/dbraw/zinc/54/57/57/823545757.db2.gz DCMNACSVJNEAJD-UHFFFAOYSA-N 1 0 375.561 4.049 20 0 GIADRO FC(F)(F)CN1CCC([NH2+]CC2(c3ccc(Cl)cc3)CCOCC2)CC1 ZINC000177917804 823545990 /nfs/dbraw/zinc/54/59/90/823545990.db2.gz QPPFUCVIRBAHNP-UHFFFAOYSA-N 1 0 390.877 4.005 20 0 GIADRO C[C@H]1CN(C(=O)c2ccc(C[NH2+][C@@H]3CCSc4ccccc43)cc2)C[C@H](C)O1 ZINC000177920893 823546398 /nfs/dbraw/zinc/54/63/98/823546398.db2.gz FAQWLSOWFRTVJG-XGHQBKJUSA-N 1 0 396.556 4.263 20 0 GIADRO CC[C@H]([NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(OC)cc1 ZINC000177921576 823546456 /nfs/dbraw/zinc/54/64/56/823546456.db2.gz GGYSVMAJRVAMQA-IXFSTUDKSA-N 1 0 396.531 4.186 20 0 GIADRO CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H](Cc1ccc(C)cc1)c1ccccn1 ZINC000190176919 823546753 /nfs/dbraw/zinc/54/67/53/823546753.db2.gz CAEJTCFHSZRZJZ-QHCPKHFHSA-N 1 0 394.563 4.191 20 0 GIADRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)cc1 ZINC000177923895 823546927 /nfs/dbraw/zinc/54/69/27/823546927.db2.gz DFCLKPIOOTVTDX-QRVBRYPASA-N 1 0 396.531 4.186 20 0 GIADRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000460941858 823547025 /nfs/dbraw/zinc/54/70/25/823547025.db2.gz YTMAONOPFBLTFD-IXDOHACOSA-N 1 0 377.495 4.259 20 0 GIADRO C[C@@H]1C[C@@H](C(=O)N(CCC[NH+]2CCCC2)c2ccc(Cl)cc2)C[C@H](C)O1 ZINC000411105727 823547292 /nfs/dbraw/zinc/54/72/92/823547292.db2.gz YIHZJBUTQDPDMT-BCDXTJNWSA-N 1 0 378.944 4.363 20 0 GIADRO C[C@H]1C[C@H](N(C)CC(=O)Nc2ccccc2Sc2ccccc2)CC[N@@H+]1C ZINC000123866728 823547549 /nfs/dbraw/zinc/54/75/49/823547549.db2.gz AQURTBCAWUNAHE-ZWKOTPCHSA-N 1 0 383.561 4.191 20 0 GIADRO C[C@@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(F)c(F)c1 ZINC000460943851 823547765 /nfs/dbraw/zinc/54/77/65/823547765.db2.gz ONNBCHZQELGCJN-CABCVRRESA-N 1 0 378.488 4.158 20 0 GIADRO C[C@@H](Cc1ccsc1)NC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000060622940 823548883 /nfs/dbraw/zinc/54/88/83/823548883.db2.gz NBMVLLJHTDBBHZ-MSOLQXFVSA-N 1 0 385.577 4.410 20 0 GIADRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC3CC2(C(F)(F)F)C3)c1 ZINC000411118940 823549425 /nfs/dbraw/zinc/54/94/25/823549425.db2.gz VUHPMSSSBOTIOF-UHFFFAOYSA-N 1 0 388.433 4.486 20 0 GIADRO Cc1cc(C)c(Br)c(C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)c1 ZINC000123898540 823549967 /nfs/dbraw/zinc/54/99/67/823549967.db2.gz WEDXEIPYOBISAZ-UHFFFAOYSA-N 1 0 393.300 4.197 20 0 GIADRO CC[C@]1(CO)CCC[N@H+](Cc2c(C)nn(Cc3ccccc3Cl)c2C)C1 ZINC000190219759 823552080 /nfs/dbraw/zinc/55/20/80/823552080.db2.gz RASRDGKMCVQLHA-NRFANRHFSA-N 1 0 375.944 4.186 20 0 GIADRO CS(=O)(=O)c1cccc([C@@H]([NH2+]C[C@@H]2CC=CCC2)c2ccc(F)c(F)c2)c1 ZINC000123931517 823552795 /nfs/dbraw/zinc/55/27/95/823552795.db2.gz RFELSYVJRZBUDF-QVKFZJNVSA-N 1 0 391.483 4.404 20 0 GIADRO CCOc1cc(C[N@@H+]2CCC[C@](CC)(CO)C2)ccc1OCC(F)(F)F ZINC000190227532 823552835 /nfs/dbraw/zinc/55/28/35/823552835.db2.gz LFEPTPCHVBKAOP-SFHVURJKSA-N 1 0 375.431 4.011 20 0 GIADRO COc1cccc(C[NH2+]CCc2nc(-c3ccccn3)cs2)c1OC(F)F ZINC000123944268 823553935 /nfs/dbraw/zinc/55/39/35/823553935.db2.gz BFXFYPBVEUYASK-UHFFFAOYSA-N 1 0 391.443 4.147 20 0 GIADRO CC[NH+]1CCN(c2ccc(NC(=O)c3cccc(Cl)c3F)c(C)c2)CC1 ZINC000123949209 823554348 /nfs/dbraw/zinc/55/43/48/823554348.db2.gz MRAQDJQIHCGPRC-UHFFFAOYSA-N 1 0 375.875 4.182 20 0 GIADRO C[NH+](C)CC1CCN(C(=O)c2ccc(-c3cc(F)c(F)c(F)c3)cc2)CC1 ZINC000460992448 823556477 /nfs/dbraw/zinc/55/64/77/823556477.db2.gz MYOFSCOQUMGBJR-UHFFFAOYSA-N 1 0 376.422 4.185 20 0 GIADRO CCc1ccc2nc(NC(=O)C3CC[NH+]([C@@H]4CCSC4)CC3)sc2c1 ZINC000411205287 823557473 /nfs/dbraw/zinc/55/74/73/823557473.db2.gz FMXCSTWGGUNYJA-OAHLLOKOSA-N 1 0 375.563 4.015 20 0 GIADRO CN(Cc1nccn1CC(F)(F)F)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411221625 823558287 /nfs/dbraw/zinc/55/82/87/823558287.db2.gz HNENOQRBCUAOBE-UHFFFAOYSA-N 1 0 380.458 4.063 20 0 GIADRO O[C@H](C[N@@H+](Cc1ccccc1)CC1CCC2(CC1)OCCO2)c1cccs1 ZINC000190274374 823558319 /nfs/dbraw/zinc/55/83/19/823558319.db2.gz PBZAAPZSDUQRHN-HXUWFJFHSA-N 1 0 387.545 4.217 20 0 GIADRO CC[C@H](C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(F)cc1 ZINC000461009006 823558440 /nfs/dbraw/zinc/55/84/40/823558440.db2.gz UHQUFPGQGJUSBJ-QHCPKHFHSA-N 1 0 397.538 4.038 20 0 GIADRO Cc1ccc2ncc(C[NH+]3CCC(c4nc(-c5ccccn5)no4)CC3)cc2c1 ZINC000411222514 823558466 /nfs/dbraw/zinc/55/84/66/823558466.db2.gz GUBHJOAZLRLJSJ-UHFFFAOYSA-N 1 0 385.471 4.368 20 0 GIADRO COc1cc(NC(=O)CC[NH2+]C(C)(C)c2ccccc2)c(OC)cc1Cl ZINC000411233882 823559454 /nfs/dbraw/zinc/55/94/54/823559454.db2.gz XCECZPMTZJALCO-UHFFFAOYSA-N 1 0 376.884 4.211 20 0 GIADRO CCCOc1c(Cl)cc(C[NH2+]C[C@@H]2COc3ccccc3O2)cc1OC ZINC000060818107 823559638 /nfs/dbraw/zinc/55/96/38/823559638.db2.gz WXLVQFOIKLVSTM-OAHLLOKOSA-N 1 0 377.868 4.067 20 0 GIADRO CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@@H](COC)c1cccc(Cl)c1)c1ccco1 ZINC000461019723 823560054 /nfs/dbraw/zinc/56/00/54/823560054.db2.gz AWDYKQFEDAJAAS-QGTPRVQTSA-N 1 0 393.915 4.049 20 0 GIADRO C[C@H](C(=O)N[C@@H](c1ccccc1)c1ccc2[nH]cnc2c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000411244699 823560208 /nfs/dbraw/zinc/56/02/08/823560208.db2.gz ILXAPMQTKOFYIG-SVQXRNPESA-N 1 0 376.504 4.030 20 0 GIADRO Cc1ccc([C@H](CNC(=S)Nc2ccc([N+](=O)[O-])cc2)[NH+]2CCCC2)cc1 ZINC000060827076 823560408 /nfs/dbraw/zinc/56/04/08/823560408.db2.gz GKRVLCHVCGUVJF-IBGZPJMESA-N 1 0 384.505 4.027 20 0 GIADRO CCNC(=O)COc1ccc(C[NH2+][C@H](C)c2ccc(C(C)C)cc2)cc1OC ZINC000060828095 823560565 /nfs/dbraw/zinc/56/05/65/823560565.db2.gz CMCLARKPCALVOQ-QGZVFWFLSA-N 1 0 384.520 4.184 20 0 GIADRO Cc1cccc(C[NH+](Cc2cccc(C)n2)CC2CCC3(CC2)OCCO3)n1 ZINC000190301840 823560676 /nfs/dbraw/zinc/56/06/76/823560676.db2.gz UBIYHZVFISIQQD-UHFFFAOYSA-N 1 0 381.520 4.029 20 0 GIADRO COc1ccc([C@H](C[NH2+]Cc2ccc(Br)cc2)N2CCCC2)cc1 ZINC000060829637 823560734 /nfs/dbraw/zinc/56/07/34/823560734.db2.gz OCJCJTMHYNYCHF-FQEVSTJZSA-N 1 0 389.337 4.384 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)c2cccc(OCc3ccc(Cl)cc3)c2)CC[N@@H+]1C ZINC000124022463 823560839 /nfs/dbraw/zinc/56/08/39/823560839.db2.gz YDFSLCGFLZNHOV-OXJNMPFZSA-N 1 0 386.923 4.474 20 0 GIADRO Cc1nc2ccccc2n1CCC[NH2+]Cc1ccc(Br)cc1F ZINC000060831500 823560961 /nfs/dbraw/zinc/56/09/61/823560961.db2.gz FQEPSYPWVNSHBN-UHFFFAOYSA-N 1 0 376.273 4.426 20 0 GIADRO Cc1ccc(C[NH2+]Cc2ccccc2OC(F)F)c(-n2cc(Cl)cn2)n1 ZINC000190307946 823561252 /nfs/dbraw/zinc/56/12/52/823561252.db2.gz IOQSGFUPPLAQSB-UHFFFAOYSA-N 1 0 378.810 4.120 20 0 GIADRO Cc1ccc(C[NH2+]Cc2cnc(CC(C)C)s2)c(-n2cc(Cl)cn2)n1 ZINC000190308803 823561555 /nfs/dbraw/zinc/56/15/55/823561555.db2.gz SYHLYEGETFSFFD-UHFFFAOYSA-N 1 0 375.929 4.174 20 0 GIADRO CCS(=O)(=O)CCCCC[N@H+](Cc1cccc(Br)c1)C1CC1 ZINC000190315237 823561873 /nfs/dbraw/zinc/56/18/73/823561873.db2.gz HRARSUJDYXIJGR-UHFFFAOYSA-N 1 0 388.371 4.019 20 0 GIADRO CN(Cc1ccc(-c2ncco2)cc1F)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000411296127 823562803 /nfs/dbraw/zinc/56/28/03/823562803.db2.gz KMBXSIVDPNZWQZ-IBGZPJMESA-N 1 0 379.479 4.435 20 0 GIADRO Cc1nc(CSc2ccc(C(=O)N[C@H](C)C[N@H+](C)C(C)C)cc2)cs1 ZINC000461034654 823562943 /nfs/dbraw/zinc/56/29/43/823562943.db2.gz VGESENJYIXTHPF-CQSZACIVSA-N 1 0 377.579 4.202 20 0 GIADRO Cc1ccc(NC(=O)c2ccc(OCc3ccccn3)cc2)c(C[NH+](C)C)c1 ZINC000461038299 823563432 /nfs/dbraw/zinc/56/34/32/823563432.db2.gz ORSUAAIPUABWJG-UHFFFAOYSA-N 1 0 375.472 4.283 20 0 GIADRO Cc1ccc(-c2ocnc2C(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)cc1 ZINC000461039035 823563466 /nfs/dbraw/zinc/56/34/66/823563466.db2.gz SXCMJAZGODMCGU-UHFFFAOYSA-N 1 0 399.878 4.496 20 0 GIADRO CC(=O)c1c(C)[nH]c(C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1C(C)C ZINC000124055731 823563625 /nfs/dbraw/zinc/56/36/25/823563625.db2.gz OGGRZVDTXRXYNL-HOTGVXAUSA-N 1 0 375.557 4.137 20 0 GIADRO CC(=O)c1c(C)[nH]c(C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1C(C)C ZINC000124055932 823563757 /nfs/dbraw/zinc/56/37/57/823563757.db2.gz OGGRZVDTXRXYNL-HZPDHXFCSA-N 1 0 375.557 4.137 20 0 GIADRO CC(C)c1ccccc1NC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000190332913 823563954 /nfs/dbraw/zinc/56/39/54/823563954.db2.gz MKRYOOFXXQPTHX-UHFFFAOYSA-N 1 0 379.504 4.026 20 0 GIADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 ZINC000461040677 823564147 /nfs/dbraw/zinc/56/41/47/823564147.db2.gz DCTGCZISNUJAEF-CQSZACIVSA-N 1 0 376.422 4.185 20 0 GIADRO Cc1nn(C)c2ncc(C[NH2+]CC(C)(C)c3ccc(C(F)(F)F)cc3)cc12 ZINC000190335376 823564360 /nfs/dbraw/zinc/56/43/60/823564360.db2.gz VRFRAOOQVAJJBI-UHFFFAOYSA-N 1 0 376.426 4.363 20 0 GIADRO Cn1c2ccccc2nc1[C@H]([NH2+]CC1CCC2(CC1)OCCO2)c1ccccc1 ZINC000190342548 823564832 /nfs/dbraw/zinc/56/48/32/823564832.db2.gz WZYCVZWRIXURSM-JOCHJYFZSA-N 1 0 391.515 4.186 20 0 GIADRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CCC[C@H]1CC1CCCCC1 ZINC000060892527 823564917 /nfs/dbraw/zinc/56/49/17/823564917.db2.gz ITVUCFORZVPOGR-NRFANRHFSA-N 1 0 391.519 4.117 20 0 GIADRO CCOC(=O)c1csc(CC[NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)n1 ZINC000190348354 823565375 /nfs/dbraw/zinc/56/53/75/823565375.db2.gz HNOSLGCVWBYZFL-UHFFFAOYSA-N 1 0 392.830 4.324 20 0 GIADRO O=C(CC[N@@H+]1CCS[C@H]2CCCC[C@H]21)Nc1ccccc1Br ZINC000411340800 823565377 /nfs/dbraw/zinc/56/53/77/823565377.db2.gz YJWYJRDKJRAWKH-CVEARBPZSA-N 1 0 383.355 4.138 20 0 GIADRO Cc1ccc(C(=O)NC2CC[NH+](Cc3cnc4ccc(C)cc4c3)CC2)s1 ZINC000411348119 823565821 /nfs/dbraw/zinc/56/58/21/823565821.db2.gz BIGORONYSWVNHW-UHFFFAOYSA-N 1 0 379.529 4.308 20 0 GIADRO CCOc1ccc(NC(=O)c2cccc(C[NH+](C)C)c2)cc1Br ZINC000190359925 823566096 /nfs/dbraw/zinc/56/60/96/823566096.db2.gz QXTBEQBWKQYUFA-UHFFFAOYSA-N 1 0 377.282 4.162 20 0 GIADRO O=C(C[C@@H](Cc1ccccc1)c1ccccc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000461051297 823566079 /nfs/dbraw/zinc/56/60/79/823566079.db2.gz LNGWVLJKZKSZJB-LADGPHEKSA-N 1 0 376.544 4.347 20 0 GIADRO O=C(CC[NH2+]C1(c2ccc(F)cc2)CCOCC1)Nc1ccc(Cl)cc1F ZINC000411363404 823566475 /nfs/dbraw/zinc/56/64/75/823566475.db2.gz DMRJTRYFPGTGQH-UHFFFAOYSA-N 1 0 394.849 4.242 20 0 GIADRO O=C(NCc1ccc(F)cc1C(F)(F)F)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000124102189 823567854 /nfs/dbraw/zinc/56/78/54/823567854.db2.gz HAHAJXRYUKWABO-KBXCAEBGSA-N 1 0 399.432 4.003 20 0 GIADRO COc1ccccc1CNC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000060937319 823567952 /nfs/dbraw/zinc/56/79/52/823567952.db2.gz UKXBISFZYGPWFO-GOSISDBHSA-N 1 0 381.520 4.069 20 0 GIADRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2cnn(C(C)C)c2C2CC2)CC1 ZINC000124104741 823568073 /nfs/dbraw/zinc/56/80/73/823568073.db2.gz BADCUFSFZYHJKT-UHFFFAOYSA-N 1 0 380.536 4.044 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCCc1ccc(F)cc1 ZINC000060938575 823568136 /nfs/dbraw/zinc/56/81/36/823568136.db2.gz OGOLMDYDZYHEEK-GOSISDBHSA-N 1 0 383.511 4.242 20 0 GIADRO FC(F)Oc1cccc(C[NH2+]C[C@H](c2ccccc2Cl)N2CCOCC2)c1 ZINC000060946849 823568574 /nfs/dbraw/zinc/56/85/74/823568574.db2.gz PCISVMBYKWATTD-LJQANCHMSA-N 1 0 396.865 4.105 20 0 GIADRO COc1cc(OC)c([C@@H](C)[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)cc1Cl ZINC000124115756 823568720 /nfs/dbraw/zinc/56/87/20/823568720.db2.gz VMYZCZVPGYUNFZ-UKRRQHHQSA-N 1 0 388.895 4.093 20 0 GIADRO COc1cccc(CNC(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)c1 ZINC000060955887 823569313 /nfs/dbraw/zinc/56/93/13/823569313.db2.gz GQZBDMPGVZODFZ-GOSISDBHSA-N 1 0 381.520 4.069 20 0 GIADRO CCOc1cccc2cc([C@@H](C)NC(=O)NCC[NH+](C(C)C)C(C)C)oc21 ZINC000060955304 823569340 /nfs/dbraw/zinc/56/93/40/823569340.db2.gz GEDBEISIIXRWKJ-MRXNPFEDSA-N 1 0 375.513 4.311 20 0 GIADRO C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@@H+]1CCSC[C@H](C)C1 ZINC000190401815 823569528 /nfs/dbraw/zinc/56/95/28/823569528.db2.gz POANRMKZCRFLMI-MNOVXSKESA-N 1 0 380.863 4.371 20 0 GIADRO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1c[nH]cc1-c1ccc(F)cc1 ZINC000461068377 823569557 /nfs/dbraw/zinc/56/95/57/823569557.db2.gz NWHMRZNNHWEBRD-FQEVSTJZSA-N 1 0 377.463 4.215 20 0 GIADRO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(-c4ncco4)cc3F)C2)nc1 ZINC000411395137 823569815 /nfs/dbraw/zinc/56/98/15/823569815.db2.gz VDVAAJMFWGYDSJ-GOSISDBHSA-N 1 0 394.450 4.035 20 0 GIADRO O=C1NCCCN1C1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000411397183 823570087 /nfs/dbraw/zinc/57/00/87/823570087.db2.gz HGRJEYBDBRLHSY-NRFANRHFSA-N 1 0 383.923 4.309 20 0 GIADRO COc1ccc(CNC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)cc1 ZINC000060972125 823570275 /nfs/dbraw/zinc/57/02/75/823570275.db2.gz FJYOIYHZFBYYEL-UHFFFAOYSA-N 1 0 381.520 4.071 20 0 GIADRO Cn1cc(C[NH2+]Cc2cc3ccccc3o2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000060977607 823570844 /nfs/dbraw/zinc/57/08/44/823570844.db2.gz YGUOJRKDFJDKOL-UHFFFAOYSA-N 1 0 389.455 4.284 20 0 GIADRO Cc1cccc(C)c1NCC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000461076601 823571411 /nfs/dbraw/zinc/57/14/11/823571411.db2.gz PFZQIYIEQHACQB-UNMCSNQZSA-N 1 0 379.548 4.227 20 0 GIADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](c2ccn(C)n2)c2ccc(Cl)cc2)C[C@H]1C ZINC000461079772 823572113 /nfs/dbraw/zinc/57/21/13/823572113.db2.gz GIWRQDXGARCDQV-GBYFWLHCSA-N 1 0 389.927 4.120 20 0 GIADRO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1cnc(-c2ccc(C)cc2)s1 ZINC000190428802 823572397 /nfs/dbraw/zinc/57/23/97/823572397.db2.gz RNQJVYZSUZFTFC-OALUTQOASA-N 1 0 382.533 4.345 20 0 GIADRO CSC[C@H](CCO)[NH2+]Cc1cn(C(C)(C)C)nc1-c1ccccc1Cl ZINC000124158514 823572914 /nfs/dbraw/zinc/57/29/14/823572914.db2.gz LQRNEYZOWOFKQY-HNNXBMFYSA-N 1 0 381.973 4.162 20 0 GIADRO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+][C@@H](C)CCc1ccc(OC(F)F)cc1 ZINC000190432655 823573049 /nfs/dbraw/zinc/57/30/49/823573049.db2.gz SFBKUNQORDEWMD-SNRMKQJTSA-N 1 0 393.478 4.335 20 0 GIADRO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+][C@H](C)CC(=O)Nc1ccccc1C(C)C ZINC000190433551 823573111 /nfs/dbraw/zinc/57/31/11/823573111.db2.gz VHVRTBLYZNXBHR-AGHHOFFYSA-N 1 0 398.551 4.253 20 0 GIADRO COc1ccccc1[C@H](C[NH2+]Cc1cc(Br)cs1)N1CCCC1 ZINC000061015134 823573141 /nfs/dbraw/zinc/57/31/41/823573141.db2.gz SHIPHEMAJWKHFX-KRWDZBQOSA-N 1 0 395.366 4.446 20 0 GIADRO C[C@@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1ccccc1C(C)(C)C ZINC000461084704 823573297 /nfs/dbraw/zinc/57/32/97/823573297.db2.gz TWJQXOMCCSCTPO-QGZVFWFLSA-N 1 0 386.561 4.375 20 0 GIADRO C[C@@H](c1ccncc1)[N@H+](C)CCc1nc2sc3c(c2c(N)n1)CC[C@H](C)C3 ZINC000411430949 823573369 /nfs/dbraw/zinc/57/33/69/823573369.db2.gz YYLRCAYVASYJOR-KBPBESRZSA-N 1 0 381.549 4.029 20 0 GIADRO CCOc1cccc(C[NH2+]Cc2ccc(OC)c(OCc3cccnc3)c2)c1 ZINC000061018556 823573507 /nfs/dbraw/zinc/57/35/07/823573507.db2.gz XCAOLHFEIIMWJA-UHFFFAOYSA-N 1 0 378.472 4.358 20 0 GIADRO Cc1cccc2c1OCC[C@H]2NC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000190435776 823573504 /nfs/dbraw/zinc/57/35/04/823573504.db2.gz XMQQFQQSGZRTPB-FXAWDEMLSA-N 1 0 399.560 4.092 20 0 GIADRO O[C@@H]1CC[N@H+](Cc2cccc(N[C@H]3CCc4c3cccc4Br)c2)C1 ZINC000461085523 823573677 /nfs/dbraw/zinc/57/36/77/823573677.db2.gz KCDMKMRFJZNGLQ-UZLBHIALSA-N 1 0 387.321 4.115 20 0 GIADRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)NC[C@@H]1CCCc2ccccc21 ZINC000061022111 823573683 /nfs/dbraw/zinc/57/36/83/823573683.db2.gz QEENVWLTMXQMAR-FQEVSTJZSA-N 1 0 397.588 4.379 20 0 GIADRO CC(C)[C@H]([NH2+]CCc1nc(-c2ccccc2)no1)c1ccc2c(c1)OCCO2 ZINC000411434587 823573773 /nfs/dbraw/zinc/57/37/73/823573773.db2.gz AHYUGMVKIKKMTE-NRFANRHFSA-N 1 0 379.460 4.037 20 0 GIADRO C[C@@]1(CCCO)CCC[N@@H+]1CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000411441309 823574383 /nfs/dbraw/zinc/57/43/83/823574383.db2.gz PQNOJXFFUHQGAG-QHCPKHFHSA-N 1 0 382.504 4.435 20 0 GIADRO C[C@@H]([NH2+]CCc1ccco1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000461088396 823574398 /nfs/dbraw/zinc/57/43/98/823574398.db2.gz UYAHSXVKJUAZNB-QGZVFWFLSA-N 1 0 390.549 4.174 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N(Cc1c(F)cccc1F)C1CC1 ZINC000190441367 823574520 /nfs/dbraw/zinc/57/45/20/823574520.db2.gz SWQKEEMERNYVMU-LJQANCHMSA-N 1 0 389.446 4.069 20 0 GIADRO COc1ccc2c(c1)CCC[C@H]2C[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000124176249 823574699 /nfs/dbraw/zinc/57/46/99/823574699.db2.gz FFBYUARQDBFSIY-LPHOPBHVSA-N 1 0 380.488 4.423 20 0 GIADRO CC1(C)CN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CC[C@@H]1C(F)(F)F ZINC000190441595 823574714 /nfs/dbraw/zinc/57/47/14/823574714.db2.gz CFVIHNZYGXFICE-ZBFHGGJFSA-N 1 0 387.446 4.037 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2ccccc2Cl)cc1OC ZINC000411444678 823574866 /nfs/dbraw/zinc/57/48/66/823574866.db2.gz FHDSMTQZVODGFX-CQSZACIVSA-N 1 0 376.884 4.427 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+][C@@H](CCO)C1CCOCC1 ZINC000461091383 823574946 /nfs/dbraw/zinc/57/49/46/823574946.db2.gz OBCDBRQFQGFFBS-UGSOOPFHSA-N 1 0 378.513 4.086 20 0 GIADRO COc1cc(Br)ccc1[C@H](C)[NH2+]Cc1ccc(NC(C)=O)cc1 ZINC000190444641 823575087 /nfs/dbraw/zinc/57/50/87/823575087.db2.gz XXMXBSNWQNGGLH-LBPRGKRZSA-N 1 0 377.282 4.267 20 0 GIADRO COc1cc(Br)ccc1[C@H](C)[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000190443960 823575093 /nfs/dbraw/zinc/57/50/93/823575093.db2.gz WEKIAHVXOGGERF-LBPRGKRZSA-N 1 0 378.266 4.080 20 0 GIADRO COc1cc(C)c([C@H](C)[NH2+]CCC(=O)Nc2ccccc2SC)cc1OC ZINC000411447514 823575325 /nfs/dbraw/zinc/57/53/25/823575325.db2.gz POFLBJAMMKZYGA-HNNXBMFYSA-N 1 0 388.533 4.414 20 0 GIADRO COc1cccc([C@H](C)[NH2+]CCC(=O)Nc2cc(OC)c(Cl)cc2OC)c1 ZINC000411447876 823575348 /nfs/dbraw/zinc/57/53/48/823575348.db2.gz BQKVHOKQVUJJMQ-ZDUSSCGKSA-N 1 0 392.883 4.045 20 0 GIADRO CC[NH2+]Cc1ccccc1NC(=O)[C@@H](C)Oc1ccc(C)cc1Br ZINC000124184323 823575450 /nfs/dbraw/zinc/57/54/50/823575450.db2.gz CBLJGMDBAJPBLC-CQSZACIVSA-N 1 0 391.309 4.273 20 0 GIADRO Cc1c([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)c2ccccc2)cnn1-c1ccc(F)cc1 ZINC000411451385 823575955 /nfs/dbraw/zinc/57/59/55/823575955.db2.gz HMSXFDQXESUTAQ-CVEARBPZSA-N 1 0 380.467 4.022 20 0 GIADRO COc1ccc2c(c1)CCC[C@@H]2C[NH2+][C@@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000124189015 823575937 /nfs/dbraw/zinc/57/59/37/823575937.db2.gz DRNZWMDDOMXHJY-HNAYVOBHSA-N 1 0 382.504 4.433 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N1CCCC[C@H]1C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000411450966 823576042 /nfs/dbraw/zinc/57/60/42/823576042.db2.gz HOIGMVXNSLXZSN-IAGOWNOFSA-N 1 0 397.494 4.130 20 0 GIADRO CC[NH+](CC)CCN(C(=O)[C@H]1CCC(=O)[C@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000461096872 823576281 /nfs/dbraw/zinc/57/62/81/823576281.db2.gz WCPGJGCLPRFZEJ-CVEARBPZSA-N 1 0 398.469 4.386 20 0 GIADRO CCCOc1ccc([C@H](C)[NH2+]CCc2nc(-c3ccccc3)no2)cc1OC ZINC000411454143 823576442 /nfs/dbraw/zinc/57/64/42/823576442.db2.gz RMKWBBGOAPSSIK-INIZCTEOSA-N 1 0 381.476 4.427 20 0 GIADRO C[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(F)cc1)c1ccc(OCC(F)(F)F)cc1 ZINC000411454575 823576476 /nfs/dbraw/zinc/57/64/76/823576476.db2.gz KPWBXMHWQUGZCU-CQSZACIVSA-N 1 0 398.400 4.076 20 0 GIADRO COc1ccc2c(c1)CCC[C@H]2C[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000124196418 823576529 /nfs/dbraw/zinc/57/65/29/823576529.db2.gz RYVCNPOYUGVBIY-LPHOPBHVSA-N 1 0 380.488 4.423 20 0 GIADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)CCCc2ncc(-c3ccccc3)o2)C1 ZINC000124202884 823577087 /nfs/dbraw/zinc/57/70/87/823577087.db2.gz RSKIFHZHPFKQCS-IBGZPJMESA-N 1 0 383.536 4.149 20 0 GIADRO CC[C@@H]([NH2+]CC(=O)NCc1ccc(OC)cc1)c1ccc2cc(OC)ccc2c1 ZINC000461099910 823577169 /nfs/dbraw/zinc/57/71/69/823577169.db2.gz GQAYHLDVVQMTHW-HSZRJFAPSA-N 1 0 392.499 4.214 20 0 GIADRO COCCSc1ccc([C@H](C)[NH2+]CC(=O)N2CCC[C@@H]3CCCC[C@H]32)cc1 ZINC000411464004 823577741 /nfs/dbraw/zinc/57/77/41/823577741.db2.gz MGBQLEUAIWEFFC-HFSMHLIXSA-N 1 0 390.593 4.257 20 0 GIADRO CCOC(=O)c1ccc(C[NH2+][C@H](C)c2ccc(OCC(F)(F)F)cc2)nc1 ZINC000411464294 823577768 /nfs/dbraw/zinc/57/77/68/823577768.db2.gz XXGVAJFVEJHHRL-CYBMUJFWSA-N 1 0 382.382 4.050 20 0 GIADRO CC[NH+](CC)CCN(C(=O)c1ccn(C(C)C)n1)c1cccc(C(F)(F)F)c1 ZINC000461104490 823578218 /nfs/dbraw/zinc/57/82/18/823578218.db2.gz XCMJGLOJIGQPER-UHFFFAOYSA-N 1 0 396.457 4.471 20 0 GIADRO COc1cccc(C2([NH2+]CCC(=O)Nc3ccccc3Br)CC2)c1 ZINC000411473187 823578949 /nfs/dbraw/zinc/57/89/49/823578949.db2.gz OKRRMPHXBFOFRM-UHFFFAOYSA-N 1 0 389.293 4.065 20 0 GIADRO COC[C@H]([NH2+]CCC(=O)Nc1ccc(Cl)cc1F)c1ccc(F)c(F)c1 ZINC000411476918 823579269 /nfs/dbraw/zinc/57/92/69/823579269.db2.gz PIXHJZHBKTVNBF-KRWDZBQOSA-N 1 0 386.801 4.063 20 0 GIADRO CN(C(=O)NC[C@@H](c1cccs1)[NH+](C)C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000461111061 823579523 /nfs/dbraw/zinc/57/95/23/823579523.db2.gz YEECGQSWYNWXFC-RDBSUJKOSA-N 1 0 377.476 4.113 20 0 GIADRO C[C@H]([NH2+]CCC(=O)N1CCc2sccc2C1)c1ccc(-c2cccnc2)cc1 ZINC000411478696 823579587 /nfs/dbraw/zinc/57/95/87/823579587.db2.gz SLVQZPKCDBIRGR-KRWDZBQOSA-N 1 0 391.540 4.436 20 0 GIADRO COc1ccc([C@@H]([NH2+][C@H]2CCCCNC2=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000411482580 823580290 /nfs/dbraw/zinc/58/02/90/823580290.db2.gz CYGZKXWIXCDREF-OALUTQOASA-N 1 0 392.421 4.062 20 0 GIADRO O=C(N1CCC[C@@H]([NH+]2CCCC2)C1)C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000461116363 823580333 /nfs/dbraw/zinc/58/03/33/823580333.db2.gz KPTBOFGYXGYBNB-GOSISDBHSA-N 1 0 380.454 4.214 20 0 GIADRO O=C(c1ccc(-c2cc(F)c(F)c(F)c2)cc1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000461116332 823580354 /nfs/dbraw/zinc/58/03/54/823580354.db2.gz KEIKAMQMKQTDAU-SFHVURJKSA-N 1 0 388.433 4.471 20 0 GIADRO O=C(C[C@H](Cc1ccccc1)c1ccccc1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000461117112 823580583 /nfs/dbraw/zinc/58/05/83/823580583.db2.gz PPUDSCXJJFXIIH-ZEQRLZLVSA-N 1 0 376.544 4.490 20 0 GIADRO Cc1nn(C)c(C)c1CC[NH2+][C@H](C)c1ccc(OC(F)F)cc1OC(F)F ZINC000124248719 823580968 /nfs/dbraw/zinc/58/09/68/823580968.db2.gz UASIYZBGVIKPFB-SNVBAGLBSA-N 1 0 389.393 4.133 20 0 GIADRO O=C(CC[N@@H+]1CCC[C@@H]1C1CCOCC1)N[C@@H](c1cccs1)c1ccccc1 ZINC000411494303 823581216 /nfs/dbraw/zinc/58/12/16/823581216.db2.gz JFYBDKLDIMXOBF-NFBKMPQASA-N 1 0 398.572 4.235 20 0 GIADRO CCc1ccc(C[NH+]2CCC(O)(Cc3ccc(OC(F)(F)F)cc3)CC2)nc1 ZINC000411496018 823581539 /nfs/dbraw/zinc/58/15/39/823581539.db2.gz MBODBOJYUXDLAP-UHFFFAOYSA-N 1 0 394.437 4.112 20 0 GIADRO CCc1cnccc1[C@H](C)[NH2+]CCC(=O)Nc1ccccc1Br ZINC000411501162 823581863 /nfs/dbraw/zinc/58/18/63/823581863.db2.gz HOWQYKHFATWUQC-ZDUSSCGKSA-N 1 0 376.298 4.086 20 0 GIADRO COc1ccc(C[N@H+](C[C@H](O)COc2ccc3ccccc3c2)C2CC2)cc1 ZINC000061170997 823582106 /nfs/dbraw/zinc/58/21/06/823582106.db2.gz CCZQNWKEGSBVFA-QFIPXVFZSA-N 1 0 377.484 4.253 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccc(Cl)cc1Br ZINC000124266663 823582367 /nfs/dbraw/zinc/58/23/67/823582367.db2.gz WYJGRXLTRPCIGL-ZDUSSCGKSA-N 1 0 387.749 4.487 20 0 GIADRO O=C(CC[NH2+][C@@H](c1cccnc1)C1CC1)N[C@H](c1cccs1)c1ccccc1 ZINC000411507659 823582395 /nfs/dbraw/zinc/58/23/95/823582395.db2.gz SGBREMZWUGBWCL-PKTZIBPZSA-N 1 0 391.540 4.480 20 0 GIADRO CCC[C@@H]([NH2+]CCc1nc(-c2cccc(Cl)c2)no1)c1nnc2ccccn21 ZINC000411514826 823583193 /nfs/dbraw/zinc/58/31/93/823583193.db2.gz SUYCRYPSUWINQJ-MRXNPFEDSA-N 1 0 396.882 4.106 20 0 GIADRO Cc1csc([C@@H](C)[NH2+]CCC(=O)N[C@H](c2cccs2)c2ccccc2)n1 ZINC000411518273 823583807 /nfs/dbraw/zinc/58/38/07/823583807.db2.gz IBBAXTPVKSUKRG-BEFAXECRSA-N 1 0 385.558 4.460 20 0 GIADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000190532799 823583906 /nfs/dbraw/zinc/58/39/06/823583906.db2.gz DMXNIYLUQCSNGS-HNNXBMFYSA-N 1 0 386.458 4.099 20 0 GIADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000124285962 823583980 /nfs/dbraw/zinc/58/39/80/823583980.db2.gz HANCLLRVOYZESX-UHFFFAOYSA-N 1 0 394.441 4.172 20 0 GIADRO CC[C@H]([NH2+]CCC(=O)NCC1CCCCC1)c1nc(C(F)(F)F)cs1 ZINC000411519605 823583954 /nfs/dbraw/zinc/58/39/54/823583954.db2.gz SOWYKVYCUIIPCT-ZDUSSCGKSA-N 1 0 377.476 4.289 20 0 GIADRO C[C@@H]([NH2+]CCC(=O)NCc1ccccc1Cl)c1nc(C(C)(C)C)cs1 ZINC000411521028 823584160 /nfs/dbraw/zinc/58/41/60/823584160.db2.gz SGVOUEFXLATPRS-CYBMUJFWSA-N 1 0 379.957 4.451 20 0 GIADRO Cc1cnc(C(C)(C)[NH2+]CCC(=O)Nc2ccc(Br)cc2)s1 ZINC000411522470 823584524 /nfs/dbraw/zinc/58/45/24/823584524.db2.gz WKCHNDZGELOACI-UHFFFAOYSA-N 1 0 382.327 4.068 20 0 GIADRO CS[C@@H]1CN([C@@H](C)c2nc3ccccc3n2C(F)F)C[C@H]1[NH+]1CCCC1 ZINC000411525957 823584687 /nfs/dbraw/zinc/58/46/87/823584687.db2.gz NKKNHRCJNXYSLD-IAOVAPTHSA-N 1 0 380.508 4.004 20 0 GIADRO CC1CC[NH+](C2CCC(NC(=O)NCc3cccc(OC(F)F)c3)CC2)CC1 ZINC000124295909 823585010 /nfs/dbraw/zinc/58/50/10/823585010.db2.gz ZLECFWMAJGQTQO-UHFFFAOYSA-N 1 0 395.494 4.130 20 0 GIADRO Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000124298415 823585160 /nfs/dbraw/zinc/58/51/60/823585160.db2.gz ONLCNQHVCROETK-DLBZAZTESA-N 1 0 380.602 4.398 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)CC[C@H]2Cc3ccccc3NC2=O)cc1 ZINC000190551001 823585391 /nfs/dbraw/zinc/58/53/91/823585391.db2.gz OFFACURWFGDUSE-IBGZPJMESA-N 1 0 379.504 4.058 20 0 GIADRO COc1ccc2c(c1)CCC[C@H]2C[NH2+][C@@H](C)CCCOc1ccccc1C(N)=O ZINC000124302173 823585437 /nfs/dbraw/zinc/58/54/37/823585437.db2.gz XDOGJROOGLSMSA-HKUYNNGSSA-N 1 0 396.531 4.051 20 0 GIADRO C[C@@H](NCc1cccc(C[NH+]2CCCCC2)c1)c1noc(Cc2ccccc2)n1 ZINC000411533173 823585583 /nfs/dbraw/zinc/58/55/83/823585583.db2.gz AVEGHRCLUHRPGD-LJQANCHMSA-N 1 0 390.531 4.497 20 0 GIADRO Cc1c(F)cccc1NC(=O)CC[NH2+][C@H](C)c1cnn(Cc2ccccc2)c1 ZINC000411536697 823586042 /nfs/dbraw/zinc/58/60/42/823586042.db2.gz HOIAPTFDVPJGSS-QGZVFWFLSA-N 1 0 380.467 4.058 20 0 GIADRO Cc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NCCC[NH+]2CCCC2)c1 ZINC000061239089 823586425 /nfs/dbraw/zinc/58/64/25/823586425.db2.gz IZJWYECIXJJSMN-UHFFFAOYSA-N 1 0 388.515 4.063 20 0 GIADRO CN(Cc1ccc(C[NH+]2CCCCC2)cc1)Cc1nc2ccsc2c(=O)[nH]1 ZINC000411540405 823586673 /nfs/dbraw/zinc/58/66/73/823586673.db2.gz GVNQPXKHDXDAHY-UHFFFAOYSA-N 1 0 382.533 4.015 20 0 GIADRO CC[NH+](CC)Cc1ccc(NC(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)cc1 ZINC000190563082 823586801 /nfs/dbraw/zinc/58/68/01/823586801.db2.gz FIVFIGMSOBXPHC-HSZRJFAPSA-N 1 0 391.515 4.431 20 0 GIADRO C[C@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)c1ccc(F)c(Br)c1 ZINC000124321192 823587096 /nfs/dbraw/zinc/58/70/96/823587096.db2.gz MOPOYUQUCCYCGH-WDEREUQCSA-N 1 0 383.227 4.123 20 0 GIADRO C[C@H](c1nccs1)N1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411549762 823587595 /nfs/dbraw/zinc/58/75/95/823587595.db2.gz HTHAASNSMLQNIM-LJQANCHMSA-N 1 0 384.593 4.008 20 0 GIADRO C[C@@H](c1nccs1)N1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411550009 823587612 /nfs/dbraw/zinc/58/76/12/823587612.db2.gz IYVRJDWIXPOMFR-IBGZPJMESA-N 1 0 384.593 4.008 20 0 GIADRO C[C@@H](N[C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1noc(-c2ccccc2)n1 ZINC000124328647 823587654 /nfs/dbraw/zinc/58/76/54/823587654.db2.gz QTTHRDVQIPGQQF-DLBZAZTESA-N 1 0 380.492 4.089 20 0 GIADRO CCCN(CC[NH+](CC)CC)C(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1 ZINC000461149657 823587905 /nfs/dbraw/zinc/58/79/05/823587905.db2.gz JABFJRKRBLOOHK-UHFFFAOYSA-N 1 0 395.547 4.441 20 0 GIADRO Brc1ccc([C@H]([NH2+]CCc2nnc3n2CCCCC3)C2CC2)s1 ZINC000190578529 823588076 /nfs/dbraw/zinc/58/80/76/823588076.db2.gz PSHPSLSGSWWYQD-QGZVFWFLSA-N 1 0 395.370 4.112 20 0 GIADRO C[C@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)c1ccccc1C(F)(F)F ZINC000411593192 823589578 /nfs/dbraw/zinc/58/95/78/823589578.db2.gz FDGKESPCDRWSBA-DZGCQCFKSA-N 1 0 386.483 4.100 20 0 GIADRO COc1ccc(CCCC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)cc1 ZINC000061287002 823589771 /nfs/dbraw/zinc/58/97/71/823589771.db2.gz CQYMYMAXBFRPNX-UHFFFAOYSA-N 1 0 398.572 4.248 20 0 GIADRO Cc1ccccc1SCC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000061289375 823590009 /nfs/dbraw/zinc/59/00/09/823590009.db2.gz UTYMSGVDHAQNAE-UHFFFAOYSA-N 1 0 386.586 4.317 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)c1cccc(OC(F)F)c1 ZINC000061289672 823590199 /nfs/dbraw/zinc/59/01/99/823590199.db2.gz FWMPBUZQVCITAW-UHFFFAOYSA-N 1 0 392.471 4.132 20 0 GIADRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)Cc1ccc2c(c1)CCC2 ZINC000061308297 823591011 /nfs/dbraw/zinc/59/10/11/823591011.db2.gz AUSXXEPBLCWKMJ-UHFFFAOYSA-N 1 0 380.557 4.214 20 0 GIADRO CSc1ccc(OC[C@@H](O)C[NH+]2CCC(c3ncccc3Cl)CC2)cc1 ZINC000411629490 823592397 /nfs/dbraw/zinc/59/23/97/823592397.db2.gz CRXOPWZVTPFREY-INIZCTEOSA-N 1 0 392.952 4.076 20 0 GIADRO OCCC[C@@H]([NH2+]CC1=Cc2cc(Br)ccc2OC1)c1ccccc1 ZINC000124401402 823593533 /nfs/dbraw/zinc/59/35/33/823593533.db2.gz DOIHDHATFLHYOT-LJQANCHMSA-N 1 0 388.305 4.328 20 0 GIADRO O=C(CC[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)NCc1ccccc1Cl ZINC000411646539 823593742 /nfs/dbraw/zinc/59/37/42/823593742.db2.gz MHIFTXQASLKGBH-UYAOXDASSA-N 1 0 393.314 4.120 20 0 GIADRO C[NH+](C)Cc1ccc(NC(=O)CSCc2cc(-c3cccs3)on2)cc1 ZINC000061376840 823593992 /nfs/dbraw/zinc/59/39/92/823593992.db2.gz JHHBQOMWXWYGGT-UHFFFAOYSA-N 1 0 387.530 4.337 20 0 GIADRO Fc1cc([C@H]2OCC[C@H]2[NH2+]Cc2ccc(Br)cn2)ccc1Cl ZINC000411649950 823594067 /nfs/dbraw/zinc/59/40/67/823594067.db2.gz QECZPRBUWGYCMR-HZPDHXFCSA-N 1 0 385.664 4.256 20 0 GIADRO COC[C@@H]([NH2+]CCC(=O)Nc1ccccc1SC)c1ccc(Cl)cc1 ZINC000411655772 823594851 /nfs/dbraw/zinc/59/48/51/823594851.db2.gz MQUQLFFWWGUTBF-QGZVFWFLSA-N 1 0 378.925 4.368 20 0 GIADRO O=C(Cc1csc(-c2ccc(Cl)cc2Cl)n1)NCC[NH+]1CCCCC1 ZINC000061400547 823595456 /nfs/dbraw/zinc/59/54/56/823595456.db2.gz FOLJWDIDKNIFNI-UHFFFAOYSA-N 1 0 398.359 4.262 20 0 GIADRO Fc1cc(-c2ncco2)ccc1C[NH+]1CCC(c2ncc3n2CCCC3)CC1 ZINC000411665098 823595820 /nfs/dbraw/zinc/59/58/20/823595820.db2.gz GUEOVBLTZFWKJU-UHFFFAOYSA-N 1 0 380.467 4.393 20 0 GIADRO CSc1ccccc1NC(=O)CC[N@H+](C)C1CCN(c2ccccc2)CC1 ZINC000411672763 823596410 /nfs/dbraw/zinc/59/64/10/823596410.db2.gz WAZZXHQPXZDKAW-UHFFFAOYSA-N 1 0 383.561 4.338 20 0 GIADRO COc1cccc([C@H]2[C@H]([NH2+]Cc3cc(-c4ccco4)on3)CCN2C2CC2)c1 ZINC000411688424 823597010 /nfs/dbraw/zinc/59/70/10/823597010.db2.gz CLLHNWDSFGMZFM-KNQAVFIVSA-N 1 0 379.460 4.011 20 0 GIADRO CCCCCNC(=O)C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000411707584 823598463 /nfs/dbraw/zinc/59/84/63/823598463.db2.gz ZMXKJZDUBZKMJW-LJQANCHMSA-N 1 0 386.458 4.069 20 0 GIADRO COCCN(C)c1ccc(C[NH2+][C@H](Cc2ccccc2)c2ccccc2)cn1 ZINC000190691412 823598722 /nfs/dbraw/zinc/59/87/22/823598722.db2.gz KPNZKNWXARDAJM-HSZRJFAPSA-N 1 0 375.516 4.238 20 0 GIADRO COc1cc(CNc2cc3c(c[nH+]2)CCCC3)ccc1OCc1c(C)noc1C ZINC000461209298 823598824 /nfs/dbraw/zinc/59/88/24/823598824.db2.gz MQGPXBDGHOBOMU-UHFFFAOYSA-N 1 0 393.487 4.187 20 0 GIADRO COC(=O)c1ccc(C[NH2+][C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)nc1 ZINC000411716110 823599334 /nfs/dbraw/zinc/59/93/34/823599334.db2.gz DYZXTECYVSYBMT-QGZVFWFLSA-N 1 0 380.366 4.008 20 0 GIADRO COC(=O)c1ccc(C[NH2+][C@H](c2cccc(OC(F)(F)F)c2)C2CC2)nc1 ZINC000411716107 823599350 /nfs/dbraw/zinc/59/93/50/823599350.db2.gz DYZXTECYVSYBMT-KRWDZBQOSA-N 1 0 380.366 4.008 20 0 GIADRO COc1cccc(NC(=O)CC[NH2+][C@H](CCO)c2ccc(Cl)c(Cl)c2)c1 ZINC000411717649 823599439 /nfs/dbraw/zinc/59/94/39/823599439.db2.gz JBDJCMJMBIOPMU-GOSISDBHSA-N 1 0 397.302 4.044 20 0 GIADRO CCS[C@H]1CCC[C@@H]1[NH2+]CCC(=O)Nc1ccc(Br)cc1F ZINC000411718483 823599508 /nfs/dbraw/zinc/59/95/08/823599508.db2.gz JRYJAOZOPOWCAM-GJZGRUSLSA-N 1 0 389.334 4.181 20 0 GIADRO O=C(CC[NH2+][C@@H]1CCC[C@H]1OC(F)F)NC(c1ccccc1)c1ccccc1 ZINC000411718378 823599530 /nfs/dbraw/zinc/59/95/30/823599530.db2.gz JJSZJFIQCNGICV-RTBURBONSA-N 1 0 388.458 4.032 20 0 GIADRO CC[C@H]([NH2+]CCC(=O)NCc1ccccc1Cl)c1ccc(OC)c(OC)c1 ZINC000411719275 823599798 /nfs/dbraw/zinc/59/97/98/823599798.db2.gz NEHKDBKLZRGQGV-SFHVURJKSA-N 1 0 390.911 4.104 20 0 GIADRO C[NH+](C)C1(CNC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)CCCCC1 ZINC000061498146 823599876 /nfs/dbraw/zinc/59/98/76/823599876.db2.gz CAWGQDGXYRWCHN-UHFFFAOYSA-N 1 0 375.513 4.028 20 0 GIADRO CC[N@H+]1C[C@@H](C)N(CCC(=O)Nc2ccccc2Oc2ccccc2)[C@@H](C)C1 ZINC000411722040 823599976 /nfs/dbraw/zinc/59/99/76/823599976.db2.gz PYHVDHHXOUJYSJ-KDURUIRLSA-N 1 0 381.520 4.222 20 0 GIADRO COc1ccc(S[C@@H](C)C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1 ZINC000061502576 823600025 /nfs/dbraw/zinc/60/00/25/823600025.db2.gz VCRIBSNOVIQQRF-AVRDEDQJSA-N 1 0 398.572 4.438 20 0 GIADRO Cc1nn(C(C)(C)C)c(C)c1C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000061502627 823600052 /nfs/dbraw/zinc/60/00/52/823600052.db2.gz YZENDPWCAFYRPY-HXUWFJFHSA-N 1 0 382.552 4.130 20 0 GIADRO Cc1ccc([C@@H](CNC(=O)c2ccc(Br)s2)[NH+]2CCCC2)cc1 ZINC000061503309 823600214 /nfs/dbraw/zinc/60/02/14/823600214.db2.gz CRUPVSFUXLCQRT-OAHLLOKOSA-N 1 0 393.350 4.386 20 0 GIADRO CCN(C)c1ccc(C[NH2+][C@H](C)c2ccc(OC)c(Br)c2)cn1 ZINC000190705828 823600315 /nfs/dbraw/zinc/60/03/15/823600315.db2.gz JGHHOKQVWSPNQY-CYBMUJFWSA-N 1 0 378.314 4.160 20 0 GIADRO Cc1csc2nc(C[NH2+]C(C)(C)Cc3ccc(C(F)(F)F)cc3)cc(=O)n12 ZINC000190707495 823600526 /nfs/dbraw/zinc/60/05/26/823600526.db2.gz SGNYDSBWNYUDDZ-UHFFFAOYSA-N 1 0 395.450 4.194 20 0 GIADRO CC1(C)C[C@H](C(=O)NCC2CC[NH+](Cc3cccs3)CC2)c2ccccc2O1 ZINC000411742502 823601561 /nfs/dbraw/zinc/60/15/61/823601561.db2.gz DTCGXUDEUOODIY-FQEVSTJZSA-N 1 0 398.572 4.421 20 0 GIADRO CN1CC[C@H]([NH2+]Cc2cc(-c3ccco3)on2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000411743260 823601693 /nfs/dbraw/zinc/60/16/93/823601693.db2.gz FIJDNPRMDGTDCS-LPHOPBHVSA-N 1 0 375.831 4.262 20 0 GIADRO OC[C@]1(Cc2ccccc2)CCC[N@H+](Cc2ccc(-c3ncco3)cc2F)C1 ZINC000411748914 823602240 /nfs/dbraw/zinc/60/22/40/823602240.db2.gz UABDKERPTDTVDM-QHCPKHFHSA-N 1 0 380.463 4.298 20 0 GIADRO O=C(CC[NH2+][C@@H](c1ccccc1)C1(CO)CCC1)Nc1ccc(Cl)cc1F ZINC000411759553 823602959 /nfs/dbraw/zinc/60/29/59/823602959.db2.gz QJBSLAVWXNOBRA-FQEVSTJZSA-N 1 0 390.886 4.301 20 0 GIADRO CC1CC[NH+](CCCNC(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)CC1 ZINC000061550197 823603019 /nfs/dbraw/zinc/60/30/19/823603019.db2.gz AVVFTVDUTWZTRD-UHFFFAOYSA-N 1 0 386.471 4.257 20 0 GIADRO C[C@@H](NCc1cccc(C[NH+]2CCCCC2)c1)c1ncc(Br)cn1 ZINC000411760380 823603133 /nfs/dbraw/zinc/60/31/33/823603133.db2.gz RYRPZTNGKXDNBO-OAHLLOKOSA-N 1 0 389.341 4.076 20 0 GIADRO O=C(NC1(c2ccc(Cl)c(Cl)c2)CC1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000411760770 823603250 /nfs/dbraw/zinc/60/32/50/823603250.db2.gz SREUHFQOPJAZOO-OAHLLOKOSA-N 1 0 399.387 4.316 20 0 GIADRO CC(C)[C@@H](CO)[C@@H]([NH2+]CCC(=O)Nc1c(Cl)cccc1Cl)C(C)C ZINC000411781870 823604224 /nfs/dbraw/zinc/60/42/24/823604224.db2.gz CXAUEZJJICIEFZ-DYVFJYSZSA-N 1 0 375.340 4.201 20 0 GIADRO CCC[C@H]1CCc2nc(NC(=O)C3CC[NH+]([C@@H]4CCSC4)CC3)sc2C1 ZINC000411782150 823604386 /nfs/dbraw/zinc/60/43/86/823604386.db2.gz DDUUQZDJPVTSTK-GOEBONIOSA-N 1 0 393.622 4.204 20 0 GIADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)Nc1ccc(OCCC(C)C)cc1 ZINC000190742526 823604442 /nfs/dbraw/zinc/60/44/42/823604442.db2.gz AOVPVRGNLUWOSB-UHFFFAOYSA-N 1 0 397.519 4.059 20 0 GIADRO O=C(Nc1ccccc1CN1CCSCC1)c1cccc(C[NH+]2CCCC2)c1 ZINC000061570978 823604632 /nfs/dbraw/zinc/60/46/32/823604632.db2.gz OEOKVPHVHUGHOI-UHFFFAOYSA-N 1 0 395.572 4.084 20 0 GIADRO O=C(CC[NH2+]C1(Cc2ccc(F)cc2)CCOCC1)Nc1ccc(Cl)cc1 ZINC000411788310 823604860 /nfs/dbraw/zinc/60/48/60/823604860.db2.gz NQNCTTQHOKCEFI-UHFFFAOYSA-N 1 0 390.886 4.189 20 0 GIADRO c1csc(-c2nn(Cc3ccccc3)cc2C[NH2+][C@H]2CCc3n[nH]cc3C2)c1 ZINC000124541223 823604944 /nfs/dbraw/zinc/60/49/44/823604944.db2.gz VXAMANZCRMNDCQ-IBGZPJMESA-N 1 0 389.528 4.030 20 0 GIADRO Cc1c(NC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)cccc1C(=O)Nc1ccccc1 ZINC000411791997 823605093 /nfs/dbraw/zinc/60/50/93/823605093.db2.gz OAJBQBDJCNSJAI-JZXOWHBKSA-N 1 0 379.504 4.447 20 0 GIADRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000411797724 823605610 /nfs/dbraw/zinc/60/56/10/823605610.db2.gz UFOZKRMGJHVTTQ-UXHICEINSA-N 1 0 380.488 4.004 20 0 GIADRO COCCOc1ccc(C[NH2+]Cc2cc(Br)c(Cl)s2)cc1 ZINC000190759126 823605657 /nfs/dbraw/zinc/60/56/57/823605657.db2.gz FWIQBBSQEJCORK-UHFFFAOYSA-N 1 0 390.730 4.479 20 0 GIADRO CCCCOc1c(Cl)cc(C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cc1OC ZINC000461257591 823606427 /nfs/dbraw/zinc/60/64/27/823606427.db2.gz MYRYVOCHGFTUNP-KRWDZBQOSA-N 1 0 396.959 4.474 20 0 GIADRO Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(C[NH+]4CCCC4)cc3)cc2)n1 ZINC000061620883 823606486 /nfs/dbraw/zinc/60/64/86/823606486.db2.gz DVWSNRGPQYMLSA-UHFFFAOYSA-N 1 0 388.515 4.396 20 0 GIADRO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)c1csc(-c2ccccn2)n1 ZINC000061622442 823606684 /nfs/dbraw/zinc/60/66/84/823606684.db2.gz CSORMRKOLGNTJJ-UHFFFAOYSA-N 1 0 392.528 4.486 20 0 GIADRO CCc1sc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CCN(C)CC2)cc1C ZINC000124569597 823607305 /nfs/dbraw/zinc/60/73/05/823607305.db2.gz UHWANMZNXIIOQO-OALUTQOASA-N 1 0 391.625 4.028 20 0 GIADRO CC(C)[C@@H]([NH2+]CCC(=O)Nc1c(Cl)cccc1Cl)C1(CO)CCCC1 ZINC000411818178 823607993 /nfs/dbraw/zinc/60/79/93/823607993.db2.gz OIXWIJSGCQFXOQ-GOSISDBHSA-N 1 0 387.351 4.489 20 0 GIADRO Cc1ccc(C(=O)c2ccccc2C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cc1C ZINC000461263453 823608148 /nfs/dbraw/zinc/60/81/48/823608148.db2.gz IWWRVROSDGRGDG-OAQYLSRUSA-N 1 0 392.543 4.481 20 0 GIADRO OCC1([C@@H]([NH2+]CCc2nc(-c3ccccc3)no2)c2ccccc2)CCCC1 ZINC000411824396 823608949 /nfs/dbraw/zinc/60/89/49/823608949.db2.gz XHKRDVSSYXAQMX-NRFANRHFSA-N 1 0 377.488 4.163 20 0 GIADRO CCNC(=O)C(C)(C)[NH2+]Cc1sc(-c2ccc(C(F)(F)F)cc2)nc1C ZINC000411827143 823609316 /nfs/dbraw/zinc/60/93/16/823609316.db2.gz ZRGCOZQYYPUWQQ-UHFFFAOYSA-N 1 0 385.455 4.142 20 0 GIADRO CSCCC[N@@H+]1CCC[C@@H]1c1nc(-c2ccccc2Br)no1 ZINC000190789666 823609409 /nfs/dbraw/zinc/60/94/09/823609409.db2.gz RRXHBJJJDXSJCS-CQSZACIVSA-N 1 0 382.327 4.389 20 0 GIADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Cc1csc(-c2ccc(Cl)s2)n1 ZINC000461274138 823610668 /nfs/dbraw/zinc/61/06/68/823610668.db2.gz WFBHBTUBGBYTRN-AWEZNQCLSA-N 1 0 397.997 4.400 20 0 GIADRO O=C(CC[NH2+][C@@H](c1cccs1)C1(CO)CCC1)Nc1ccccc1Cl ZINC000411870192 823611509 /nfs/dbraw/zinc/61/15/09/823611509.db2.gz KFHVXUWVBSAPCU-SFHVURJKSA-N 1 0 378.925 4.224 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)N1CC2(CCOCC2)c2ccccc21)CC(C)C ZINC000190811214 823611982 /nfs/dbraw/zinc/61/19/82/823611982.db2.gz YGHSSELRCXHGTK-LJQANCHMSA-N 1 0 387.568 4.021 20 0 GIADRO O[C@@H](c1ccccc1)C1CC[NH+](Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000124624940 823612122 /nfs/dbraw/zinc/61/21/22/823612122.db2.gz LJIIMBDMGKRRIT-QHCPKHFHSA-N 1 0 375.472 4.215 20 0 GIADRO CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000411890042 823613081 /nfs/dbraw/zinc/61/30/81/823613081.db2.gz DJDKXCZSNINPSL-PDSMFRHLSA-N 1 0 379.287 4.222 20 0 GIADRO COc1ccc(C[N@H+](C)Cc2ccc(OC)c(OC)c2)cc1Br ZINC000061778742 823613534 /nfs/dbraw/zinc/61/35/34/823613534.db2.gz NYUMHFADRVQIPS-UHFFFAOYSA-N 1 0 380.282 4.107 20 0 GIADRO CCCOc1ccc(-c2nc(C(=O)N(C)[C@H]3CC[N@H+](C)[C@H](C)C3)cs2)cc1 ZINC000124646147 823613800 /nfs/dbraw/zinc/61/38/00/823613800.db2.gz SQRILJXJZNJMJK-WBVHZDCISA-N 1 0 387.549 4.154 20 0 GIADRO CC[NH+]1CCC(n2nccc2NC(=O)c2[nH]c3c(cccc3Cl)c2C)CC1 ZINC000411909959 823614352 /nfs/dbraw/zinc/61/43/52/823614352.db2.gz HEEIPMZDKNJVHD-UHFFFAOYSA-N 1 0 385.899 4.235 20 0 GIADRO c1csc(Cn2c(-c3ccoc3)nnc2N2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000461308179 823614873 /nfs/dbraw/zinc/61/48/73/823614873.db2.gz MHSPZQAFXJNKED-SFHVURJKSA-N 1 0 397.548 4.103 20 0 GIADRO Cc1cc(C(F)(F)F)ccc1C[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 ZINC000190839904 823615055 /nfs/dbraw/zinc/61/50/55/823615055.db2.gz DMYWSHTYFUZMIJ-HZPDHXFCSA-N 1 0 393.453 4.312 20 0 GIADRO CCS(=O)(=O)CCCCC[NH2+]C1(c2cccc(Br)c2)CCC1 ZINC000190841115 823615269 /nfs/dbraw/zinc/61/52/69/823615269.db2.gz YJLGENNZEDJNOM-UHFFFAOYSA-N 1 0 388.371 4.023 20 0 GIADRO COc1cccc(-c2nc(C[NH2+][C@H](C)[C@@](C)(OC)C3CC3)cs2)c1OC ZINC000411951691 823616148 /nfs/dbraw/zinc/61/61/48/823616148.db2.gz QJSMFWHBIVGYHZ-ZUOKHONESA-N 1 0 376.522 4.121 20 0 GIADRO C[C@H]1C[C@H](N(C)C(=O)CCCCc2ccc(Br)cc2)CC[N@@H+]1C ZINC000124678113 823616481 /nfs/dbraw/zinc/61/64/81/823616481.db2.gz ULWHVMFVZTZPKK-MAUKXSAKSA-N 1 0 381.358 4.103 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)N[C@@H](c2ccc(OC)cc2)C2CC2)c1 ZINC000061857774 823616475 /nfs/dbraw/zinc/61/64/75/823616475.db2.gz HTYFIKSDDKIJSB-JOCHJYFZSA-N 1 0 381.520 4.097 20 0 GIADRO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C[N@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000411959676 823616813 /nfs/dbraw/zinc/61/68/13/823616813.db2.gz VPGXKJHSKJQZHV-AWEZNQCLSA-N 1 0 397.466 4.047 20 0 GIADRO CO[C@@](C)([C@@H](C)[NH2+]CCC(=O)N[C@H](c1cccs1)c1ccccc1)C1CC1 ZINC000411973322 823617258 /nfs/dbraw/zinc/61/72/58/823617258.db2.gz RQTDDCKUGOCLCM-XGRCMKMKSA-N 1 0 386.561 4.137 20 0 GIADRO CC[C@@H](NC(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)c1ccc(C)cc1 ZINC000061883474 823617388 /nfs/dbraw/zinc/61/73/88/823617388.db2.gz GKDBSQVDCYDEPJ-JOCHJYFZSA-N 1 0 393.531 4.187 20 0 GIADRO Clc1ccc(C2(C[NH2+]Cc3nccn3-c3ccccc3)CCOCC2)cc1 ZINC000190863809 823617787 /nfs/dbraw/zinc/61/77/87/823617787.db2.gz XRCHMEXAXIMNEC-UHFFFAOYSA-N 1 0 381.907 4.364 20 0 GIADRO Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)NCCC1CC[NH+](C)CC1 ZINC000190867626 823617900 /nfs/dbraw/zinc/61/79/00/823617900.db2.gz XUSQOVNCAHVVGB-UHFFFAOYSA-N 1 0 395.425 4.131 20 0 GIADRO COc1ccnc(C[N@@H+]2CCC[C@H](c3nc4ccccc4n3C(C)C)C2)c1OC ZINC000190870850 823618298 /nfs/dbraw/zinc/61/82/98/823618298.db2.gz RYVVRGRHDWXWQQ-KRWDZBQOSA-N 1 0 394.519 4.409 20 0 GIADRO C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000411995362 823619107 /nfs/dbraw/zinc/61/91/07/823619107.db2.gz CRXONRCEKCTIJI-XMSQKQJNSA-N 1 0 396.506 4.026 20 0 GIADRO CC(C)Oc1ccc(CC[NH2+][C@H](C)CC(=O)Nc2cccnc2Cl)cc1 ZINC000124703256 823619148 /nfs/dbraw/zinc/61/91/48/823619148.db2.gz WYTOZYTXBKDTGU-OAHLLOKOSA-N 1 0 375.900 4.072 20 0 GIADRO C[C@@H](Cc1cccs1)NC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000061939861 823619209 /nfs/dbraw/zinc/61/92/09/823619209.db2.gz KSFJKRWBGDKPOW-KXBFYZLASA-N 1 0 391.968 4.469 20 0 GIADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NC1(c2cccc(Cl)c2)CC1 ZINC000124712486 823619990 /nfs/dbraw/zinc/61/99/90/823619990.db2.gz GVJLNIXJEJVVLC-UHFFFAOYSA-N 1 0 398.938 4.211 20 0 GIADRO CC1(C)C[C@@H](C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c2ccccc2O1 ZINC000412000011 823620178 /nfs/dbraw/zinc/62/01/78/823620178.db2.gz CSKCBBQWCMAKCD-IFMALSPDSA-N 1 0 392.543 4.012 20 0 GIADRO OCC1([C@H]([NH2+]Cc2cccc(C(F)(F)F)c2)c2ccccc2)CCOCC1 ZINC000412004182 823621026 /nfs/dbraw/zinc/62/10/26/823621026.db2.gz BSEGPUNLHRXWBZ-LJQANCHMSA-N 1 0 379.422 4.325 20 0 GIADRO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)C(=O)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000061993873 823621240 /nfs/dbraw/zinc/62/12/40/823621240.db2.gz TVYUMCWHBDAHFY-KCZVDYSFSA-N 1 0 397.563 4.086 20 0 GIADRO Cn1ncc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCCCC2)c1C(F)(F)F ZINC000412007403 823621893 /nfs/dbraw/zinc/62/18/93/823621893.db2.gz JAVSCJQSMUBKRW-KRWDZBQOSA-N 1 0 381.442 4.213 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)c1scc(C)c1Br)c1ccco1 ZINC000190905840 823622522 /nfs/dbraw/zinc/62/25/22/823622522.db2.gz OYLYSGLOVUOWCQ-LBPRGKRZSA-N 1 0 385.327 4.225 20 0 GIADRO Cc1csc(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)c1Br ZINC000190905696 823622593 /nfs/dbraw/zinc/62/25/93/823622593.db2.gz MBMVDBGQCJSFKZ-AWEZNQCLSA-N 1 0 381.339 4.160 20 0 GIADRO CC(C)O[C@@H](C[NH2+][C@H](c1ccccc1)C1(CO)CCOCC1)c1ccccc1 ZINC000412013876 823622679 /nfs/dbraw/zinc/62/26/79/823622679.db2.gz WBDNEQQTPPLVRI-XZOQPEGZSA-N 1 0 383.532 4.273 20 0 GIADRO CN(C)C(=O)c1cccc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCCCC2)c1 ZINC000412016373 823622789 /nfs/dbraw/zinc/62/27/89/823622789.db2.gz WNHQTEGMBHQFTQ-QFIPXVFZSA-N 1 0 380.532 4.162 20 0 GIADRO O=C1CCCN1[C@@H]1CCC[N@@H+]([C@@H]2CCCc3ccc(Br)cc32)CC1 ZINC000412057013 823624579 /nfs/dbraw/zinc/62/45/79/823624579.db2.gz PYJJLBWTOZRPRZ-IEBWSBKVSA-N 1 0 391.353 4.303 20 0 GIADRO Cc1nc(C[N@@H+]2CCC[C@H](N3CCCC3=O)CC2)oc1-c1ccc(Cl)cc1 ZINC000412058161 823624785 /nfs/dbraw/zinc/62/47/85/823624785.db2.gz UGTGKHXKYCYNMW-SFHVURJKSA-N 1 0 387.911 4.280 20 0 GIADRO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccc(F)cc3)cc2)CC1 ZINC000412060444 823625108 /nfs/dbraw/zinc/62/51/08/823625108.db2.gz ZYALASKNSIMHGV-QFIPXVFZSA-N 1 0 396.506 4.382 20 0 GIADRO CCc1ccc(NC(=O)[C@@H](C)[NH2+]CC2(c3ccccc3C)CCOCC2)cc1 ZINC000062240356 823625685 /nfs/dbraw/zinc/62/56/85/823625685.db2.gz DPQAADGYPAWVRB-LJQANCHMSA-N 1 0 380.532 4.222 20 0 GIADRO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H]1C[C@]1(F)c1ccccc1 ZINC000412100195 823626599 /nfs/dbraw/zinc/62/65/99/823626599.db2.gz RSXCXKXDOPNMBU-MTBCEAFUSA-N 1 0 378.491 4.183 20 0 GIADRO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H](C)Cn2ccnc2)o1 ZINC000062254575 823626722 /nfs/dbraw/zinc/62/67/22/823626722.db2.gz CTMUHTGXDOZXNA-KRWDZBQOSA-N 1 0 375.476 4.063 20 0 GIADRO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H](C)Cn2ccnc2)cc1 ZINC000062254525 823626787 /nfs/dbraw/zinc/62/67/87/823626787.db2.gz NFGFUVOFIDMCHR-FQEVSTJZSA-N 1 0 385.515 4.470 20 0 GIADRO CC[N@H+](C[C@H](O)C(F)(F)F)[C@H]1CCSc2ccc(Br)cc21 ZINC000461382132 823626881 /nfs/dbraw/zinc/62/68/81/823626881.db2.gz AHGCBQOAWUTAQF-AAEUAGOBSA-N 1 0 384.261 4.231 20 0 GIADRO CCN(Cc1ccccc1)c1ccc(C[NH2+]C2CCC(C(=O)NC)CC2)cc1 ZINC000062259400 823626971 /nfs/dbraw/zinc/62/69/71/823626971.db2.gz BCTOPSRMLZNCBS-UHFFFAOYSA-N 1 0 379.548 4.108 20 0 GIADRO O=C(Nc1ccc(N2CCCC2=O)c(F)c1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412111967 823627146 /nfs/dbraw/zinc/62/71/46/823627146.db2.gz UYKFWXSSPKSNNU-UHFFFAOYSA-N 1 0 395.478 4.191 20 0 GIADRO CC(C)(O)COc1ccc(NC(=O)c2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000412122420 823628006 /nfs/dbraw/zinc/62/80/06/823628006.db2.gz NDAMTXAKRMPAET-UHFFFAOYSA-N 1 0 382.504 4.075 20 0 GIADRO C[N@H+](CCOCCO)[C@H](c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000461389931 823628203 /nfs/dbraw/zinc/62/82/03/823628203.db2.gz VGPSYROAUKGBFJ-SFHVURJKSA-N 1 0 398.728 4.133 20 0 GIADRO Cc1ccnc(Oc2ccc(NC(=O)NC[C@H](c3ccccc3)[NH+](C)C)cc2)n1 ZINC000124816599 823628427 /nfs/dbraw/zinc/62/84/27/823628427.db2.gz LQGVOPGSBLTCJD-HXUWFJFHSA-N 1 0 391.475 4.002 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C[C@@H](c1ccc(O)cc1)C1CC1 ZINC000412132433 823628926 /nfs/dbraw/zinc/62/89/26/823628926.db2.gz QCLDWWAJMQITOE-NTKDMRAZSA-N 1 0 392.543 4.399 20 0 GIADRO CC(=O)Nc1ccc(CC[NH2+]Cc2cc(Br)c(Cl)s2)cc1 ZINC000190949228 823629110 /nfs/dbraw/zinc/62/91/10/823629110.db2.gz ZTPIGLSOIZQEAM-UHFFFAOYSA-N 1 0 387.730 4.455 20 0 GIADRO COCCN(C)c1ccc(C[NH2+]C(C)(c2ccccc2)c2ccccc2)cn1 ZINC000190949418 823629286 /nfs/dbraw/zinc/62/92/86/823629286.db2.gz QOPLODGDNCBNIJ-UHFFFAOYSA-N 1 0 375.516 4.218 20 0 GIADRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)Nc1cccc(Br)c1 ZINC000062368233 823629978 /nfs/dbraw/zinc/62/99/78/823629978.db2.gz TWJPZHMQROFUQT-UHFFFAOYSA-N 1 0 394.288 4.184 20 0 GIADRO Cc1cc(C)c(NC(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)c(C)c1 ZINC000062368872 823630007 /nfs/dbraw/zinc/63/00/07/823630007.db2.gz XOBRLFFTBVPPNI-UHFFFAOYSA-N 1 0 375.463 4.486 20 0 GIADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@H](c1ccc(O)cc1)C1CC1 ZINC000412146232 823630127 /nfs/dbraw/zinc/63/01/27/823630127.db2.gz FHRRNFWEWYGQGG-YKSBVNFPSA-N 1 0 392.543 4.256 20 0 GIADRO Cc1noc(C)c1[C@H](C)NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000124840398 823630190 /nfs/dbraw/zinc/63/01/90/823630190.db2.gz QYNJMLYMCOHENC-DQLDELGASA-N 1 0 396.535 4.049 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)Nc1ccc(Cl)cc1F ZINC000062373207 823630373 /nfs/dbraw/zinc/63/03/73/823630373.db2.gz ZCNNOQMGSKWOCT-UHFFFAOYSA-N 1 0 385.817 4.353 20 0 GIADRO CC[C@@H](NC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)c1nccs1 ZINC000124841594 823630419 /nfs/dbraw/zinc/63/04/19/823630419.db2.gz ISFZEARCCJBESX-LJQANCHMSA-N 1 0 386.565 4.470 20 0 GIADRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000062374879 823630666 /nfs/dbraw/zinc/63/06/66/823630666.db2.gz OXEPQUOGLAOGNV-UHFFFAOYSA-N 1 0 399.388 4.162 20 0 GIADRO CCCCc1nnc(NC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)s1 ZINC000062375325 823630702 /nfs/dbraw/zinc/63/07/02/823630702.db2.gz JTXZDRAZVOZBLA-UHFFFAOYSA-N 1 0 395.960 4.130 20 0 GIADRO COc1ccc([C@H](C)[NH2+]C[C@@H](c2ccc(F)cc2)N(C)C)cc1Cn1cccn1 ZINC000124847362 823630717 /nfs/dbraw/zinc/63/07/17/823630717.db2.gz KPLXKPZKQMMKCS-JTSKRJEESA-N 1 0 396.510 4.033 20 0 GIADRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCSc3ccncc32)c1 ZINC000124853897 823631158 /nfs/dbraw/zinc/63/11/58/823631158.db2.gz OOONUQCNIRFVHA-UHFFFAOYSA-N 1 0 389.524 4.466 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C[C@H](c1ccc(O)cc1)C1CC1 ZINC000412162320 823631832 /nfs/dbraw/zinc/63/18/32/823631832.db2.gz LXHYUCCRXVVELK-DKLXNKCPSA-N 1 0 392.543 4.303 20 0 GIADRO CC(C)n1ncc2cc(NC(=O)NC3CC[NH+](CC4CCCCC4)CC3)cnc21 ZINC000062390553 823632198 /nfs/dbraw/zinc/63/21/98/823632198.db2.gz CGSYVKWBZPJYTH-UHFFFAOYSA-N 1 0 398.555 4.178 20 0 GIADRO COC(=O)Nc1ccc(NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000062399854 823632873 /nfs/dbraw/zinc/63/28/73/823632873.db2.gz NJOREYLDLRWBFP-UHFFFAOYSA-N 1 0 388.512 4.031 20 0 GIADRO Cc1cc(C)c(N2CC[C@H](NC3CC[NH+](C4CCCCC4)CC3)C2=O)c(C)c1 ZINC000190974384 823632976 /nfs/dbraw/zinc/63/29/76/823632976.db2.gz CIQGVDLBMAPYEK-QFIPXVFZSA-N 1 0 383.580 4.104 20 0 GIADRO C[C@]1(CCc2ccccc2)CCN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)C1 ZINC000412177621 823633058 /nfs/dbraw/zinc/63/30/58/823633058.db2.gz RPQQEMBRBAMFKI-GMAHTHKFSA-N 1 0 386.605 4.075 20 0 GIADRO C[C@]1(CCc2ccccc2)CCN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)C1 ZINC000412177619 823633089 /nfs/dbraw/zinc/63/30/89/823633089.db2.gz RPQQEMBRBAMFKI-GGAORHGYSA-N 1 0 386.605 4.075 20 0 GIADRO CC(C)Cc1ccc(C(=O)CCC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000461421994 823633125 /nfs/dbraw/zinc/63/31/25/823633125.db2.gz HUTLJARENDXHMJ-NRFANRHFSA-N 1 0 384.564 4.182 20 0 GIADRO Cc1ccc(CNC(=O)C2CC[NH+](C[C@@H]3CCC4(CCCCC4)O3)CC2)cc1 ZINC000190978088 823633480 /nfs/dbraw/zinc/63/34/80/823633480.db2.gz BFDRUKMAWINXNE-QFIPXVFZSA-N 1 0 384.564 4.205 20 0 GIADRO CN(C1CCC([NH3+])CC1)S(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1 ZINC000124881192 823633577 /nfs/dbraw/zinc/63/35/77/823633577.db2.gz ZNSNYDRLJRQKKK-UHFFFAOYSA-N 1 0 394.924 4.023 20 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O=C(c1ccc(OCC2CC2)cc1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461445327 823639230 /nfs/dbraw/zinc/63/92/30/823639230.db2.gz NIPKHFMXUHZZNY-PKTZIBPZSA-N 1 0 390.527 4.070 20 0 GIADRO O=C(NCC1(Cc2ccccc2)CCCC1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412243284 823639212 /nfs/dbraw/zinc/63/92/12/823639212.db2.gz FDFYYVQWJFPGMB-NRFANRHFSA-N 1 0 386.605 4.123 20 0 GIADRO O=C(c1ccc(OCC2CC2)cc1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461445323 823639292 /nfs/dbraw/zinc/63/92/92/823639292.db2.gz NIPKHFMXUHZZNY-DHIUTWEWSA-N 1 0 390.527 4.070 20 0 GIADRO CC[C@@H](c1ccncc1)N(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000124945244 823639325 /nfs/dbraw/zinc/63/93/25/823639325.db2.gz ZOVYVKCVBHUZEF-PXNSSMCTSA-N 1 0 386.565 4.148 20 0 GIADRO O=C([C@@H]1C[C@@H]1c1cccc(Cl)c1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461447066 823639452 /nfs/dbraw/zinc/63/94/52/823639452.db2.gz DXTRTDWWYWKJST-JFJDKTSWSA-N 1 0 394.946 4.424 20 0 GIADRO CCOC1CC(CC[NH2+][C@H](C(=O)Nc2ccc(OC)cc2)c2ccccc2)C1 ZINC000191025580 823639467 /nfs/dbraw/zinc/63/94/67/823639467.db2.gz NEOARTJKWABZCL-IVXJCAOYSA-N 1 0 382.504 4.170 20 0 GIADRO C[C@H](CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)c1ccccc1F ZINC000461446571 823639497 /nfs/dbraw/zinc/63/94/97/823639497.db2.gz HHZHLFHPJMASPE-NRSPTQNISA-N 1 0 380.507 4.300 20 0 GIADRO C[C@]1(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)CCc2ccccc2C1 ZINC000461446706 823639502 /nfs/dbraw/zinc/63/95/02/823639502.db2.gz DXQWVXUARZUFLH-GNKBHMEESA-N 1 0 388.555 4.162 20 0 GIADRO O=C(CSc1cc(Cl)ccc1Cl)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000461447329 823639665 /nfs/dbraw/zinc/63/96/65/823639665.db2.gz VZFRSWJYNOPXHC-CQSZACIVSA-N 1 0 387.376 4.420 20 0 GIADRO O=C(CCSCc1ccccc1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461448243 823639805 /nfs/dbraw/zinc/63/98/05/823639805.db2.gz NXMITYHMTDPDAA-DHIUTWEWSA-N 1 0 394.584 4.290 20 0 GIADRO O=C(CCc1ccc(Cl)s1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461448867 823639829 /nfs/dbraw/zinc/63/98/29/823639829.db2.gz VRLGLDHTGDXENX-MSOLQXFVSA-N 1 0 388.964 4.315 20 0 GIADRO O=C(c1[nH]c2ccccc2c1Cl)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461448344 823639832 /nfs/dbraw/zinc/63/98/32/823639832.db2.gz UJTOZUGHYRYRKH-MSOLQXFVSA-N 1 0 393.918 4.415 20 0 GIADRO COc1cccc([C@H](C)CC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000461448036 823639838 /nfs/dbraw/zinc/63/98/38/823639838.db2.gz OHPWVGPUGGMWCJ-OIBXWCBGSA-N 1 0 392.543 4.169 20 0 GIADRO O=C(CCc1ccc(Cl)s1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461448870 823639842 /nfs/dbraw/zinc/63/98/42/823639842.db2.gz VRLGLDHTGDXENX-ZWKOTPCHSA-N 1 0 388.964 4.315 20 0 GIADRO O=C(Nc1cnn(Cc2ccccc2)c1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000062528457 823640048 /nfs/dbraw/zinc/64/00/48/823640048.db2.gz YJDKHTLABSOYBO-UHFFFAOYSA-N 1 0 395.551 4.098 20 0 GIADRO Cc1ccccc1[C@H](C)CC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461450261 823640184 /nfs/dbraw/zinc/64/01/84/823640184.db2.gz PKAYBKSUTUNFRA-YMPZKCBVSA-N 1 0 376.544 4.469 20 0 GIADRO C[C@H](CCc1ccc(O)cc1)NC(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000062528996 823640300 /nfs/dbraw/zinc/64/03/00/823640300.db2.gz PWNFLKMLCMLMQL-GOSISDBHSA-N 1 0 387.568 4.057 20 0 GIADRO O=C(N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)C1(Cc2ccccc2)CCC1 ZINC000461451374 823640265 /nfs/dbraw/zinc/64/02/65/823640265.db2.gz RWWVZYXUPJBIGA-DNQXCXABSA-N 1 0 388.555 4.380 20 0 GIADRO O=C(c1cc(O)c2ccccc2c1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461450859 823640361 /nfs/dbraw/zinc/64/03/61/823640361.db2.gz RONMYRUMCNNOEC-IRLDBZIGSA-N 1 0 386.495 4.140 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N(Cc1c(F)cccc1F)C1CC1 ZINC000191034831 823640499 /nfs/dbraw/zinc/64/04/99/823640499.db2.gz VMZIILMTYWOKFH-MRXNPFEDSA-N 1 0 379.495 4.293 20 0 GIADRO Cc1ccc(CCCC(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000461453513 823640910 /nfs/dbraw/zinc/64/09/10/823640910.db2.gz YNUOTARDRKVQQZ-DNQXCXABSA-N 1 0 376.544 4.298 20 0 GIADRO Cc1nc(CC(C)C)sc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461454907 823641067 /nfs/dbraw/zinc/64/10/67/823641067.db2.gz ISTRENGXPZRJME-WOJBJXKFSA-N 1 0 397.588 4.244 20 0 GIADRO Cc1cc(C)cc(CCC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000461455410 823641103 /nfs/dbraw/zinc/64/11/03/823641103.db2.gz KGDIOURKBXDQKW-BJKOFHAPSA-N 1 0 376.544 4.217 20 0 GIADRO COc1cccc(C2=CCN(C(=O)c3cccc(C[NH+]4CCCCC4)c3)C2)c1 ZINC000412263594 823641216 /nfs/dbraw/zinc/64/12/16/823641216.db2.gz ZPGHITZYIJLCIP-UHFFFAOYSA-N 1 0 376.500 4.221 20 0 GIADRO O=C(CCc1cc2ccccc2o1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461457182 823641630 /nfs/dbraw/zinc/64/16/30/823641630.db2.gz RSJCWJATRKGYFS-YADHBBJMSA-N 1 0 388.511 4.346 20 0 GIADRO C[C@H](Cc1cccc(Cl)c1)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461458909 823641850 /nfs/dbraw/zinc/64/18/50/823641850.db2.gz WMRMFPIMBKSNQX-COPCDDAFSA-N 1 0 396.962 4.499 20 0 GIADRO O=C(c1csc2ccccc12)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461458038 823641863 /nfs/dbraw/zinc/64/18/63/823641863.db2.gz XBFBIBNBYSRSOF-MOPGFXCFSA-N 1 0 376.525 4.495 20 0 GIADRO Cc1ccc(SCC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000461459153 823642105 /nfs/dbraw/zinc/64/21/05/823642105.db2.gz ZSJROERRYOJFPC-LEWJYISDSA-N 1 0 380.557 4.068 20 0 GIADRO COc1cccc(C[NH2+]C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)n1 ZINC000191048196 823642183 /nfs/dbraw/zinc/64/21/83/823642183.db2.gz BCFUZWYFKBGKCL-UHFFFAOYSA-N 1 0 380.319 4.151 20 0 GIADRO COC[C@H](Cc1ccccc1)N(C)C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412278216 823642486 /nfs/dbraw/zinc/64/24/86/823642486.db2.gz IRVHGWXOEUJVTM-QHCPKHFHSA-N 1 0 380.532 4.002 20 0 GIADRO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)Nc1nc2ccccc2s1 ZINC000062649524 823643310 /nfs/dbraw/zinc/64/33/10/823643310.db2.gz VKEVVQDWHOZDKP-KRWDZBQOSA-N 1 0 380.517 4.330 20 0 GIADRO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1cc2cc(Cl)ccn2n1 ZINC000461468953 823643575 /nfs/dbraw/zinc/64/35/75/823643575.db2.gz GORZFBNUSRFNFA-SFHVURJKSA-N 1 0 396.922 4.020 20 0 GIADRO O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1c[nH]nc1-c1ccccc1 ZINC000461471070 823643751 /nfs/dbraw/zinc/64/37/51/823643751.db2.gz MKJBFUVDESRLJU-HXUWFJFHSA-N 1 0 388.515 4.109 20 0 GIADRO O=C(NC1CC(c2ccc(F)c(Cl)c2)C1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412318052 823645938 /nfs/dbraw/zinc/64/59/38/823645938.db2.gz PQPURIZOFWGNCZ-OFLPRAFFSA-N 1 0 396.959 4.059 20 0 GIADRO O=C([C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1)N1CCC[N@H+](CC2CCC2)CC1 ZINC000412317488 823645963 /nfs/dbraw/zinc/64/59/63/823645963.db2.gz OFNVUNNJNJSOPN-RBUKOAKNSA-N 1 0 380.454 4.143 20 0 GIADRO Cn1ccnc1[C@H](O)C1CC[NH+](CCCCc2ccc(Cl)c(Cl)c2)CC1 ZINC000191079003 823645997 /nfs/dbraw/zinc/64/59/97/823645997.db2.gz WVPYVIFQPQOXJR-LJQANCHMSA-N 1 0 396.362 4.495 20 0 GIADRO O=C(Nc1ncc(-c2ccccc2F)s1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412328709 823646920 /nfs/dbraw/zinc/64/69/20/823646920.db2.gz IJMSBFMCKUFWJE-CQSZACIVSA-N 1 0 391.537 4.105 20 0 GIADRO Cc1ccc(-c2nnc(N3C[C@@H]4CCC[N@H+]4C[C@@H]3C)n2Cc2cccs2)s1 ZINC000461488939 823647128 /nfs/dbraw/zinc/64/71/28/823647128.db2.gz IQXDQVARHVTJLB-HOCLYGCPSA-N 1 0 399.589 4.098 20 0 GIADRO CCc1ccc([C@H]2CCCN(C(=O)C3CC[NH+]([C@H]4CCSC4)CC3)C2)cc1 ZINC000412330965 823647249 /nfs/dbraw/zinc/64/72/49/823647249.db2.gz DCWBKUZNBIQDJS-VXKWHMMOSA-N 1 0 386.605 4.173 20 0 GIADRO COc1ccc(OC)c([C@@H](O)C[NH2+][C@H]2CCSc3c(Cl)cccc32)c1 ZINC000125045534 823647748 /nfs/dbraw/zinc/64/77/48/823647748.db2.gz XFEPRDIOCHEECT-IRXDYDNUSA-N 1 0 379.909 4.217 20 0 GIADRO Cn1ccnc1[C@H](O)[C@H]1CCC[N@H+](CCCCc2ccc(Cl)c(Cl)c2)C1 ZINC000191092588 823647990 /nfs/dbraw/zinc/64/79/90/823647990.db2.gz BOBINIRQFDJVOJ-QFBILLFUSA-N 1 0 396.362 4.495 20 0 GIADRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1c(C)onc1-c1ccc(C(F)(F)F)cc1 ZINC000191094154 823648147 /nfs/dbraw/zinc/64/81/47/823648147.db2.gz AXZUNGQCUAKXME-GFCCVEGCSA-N 1 0 383.414 4.129 20 0 GIADRO COc1ccc2cc([C@@H](C)[NH2+]C[C@H](O)c3cc(OC)ccc3OC)ccc2c1 ZINC000125051354 823648216 /nfs/dbraw/zinc/64/82/16/823648216.db2.gz RCIRDSPJCLMBPT-QRQCRPRQSA-N 1 0 381.472 4.250 20 0 GIADRO C[C@@H](C(=O)Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000125053116 823648404 /nfs/dbraw/zinc/64/84/04/823648404.db2.gz VNFNWGRGKKWDPH-XHSDSOJGSA-N 1 0 399.514 4.010 20 0 GIADRO C[C@@H](C(=O)Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000125053519 823648450 /nfs/dbraw/zinc/64/84/50/823648450.db2.gz VNFNWGRGKKWDPH-OAGGEKHMSA-N 1 0 399.514 4.010 20 0 GIADRO CC[C@@H](C(=O)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F)[NH+](CC)CC ZINC000461496699 823648650 /nfs/dbraw/zinc/64/86/50/823648650.db2.gz IEQNADVLCHRBMW-JSGCOSHPSA-N 1 0 382.373 4.128 20 0 GIADRO O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)N1CCC([NH+]2CCCC2)CC1 ZINC000125057274 823648735 /nfs/dbraw/zinc/64/87/35/823648735.db2.gz MXIBFEDXACCIMI-UHFFFAOYSA-N 1 0 384.455 4.105 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)NC[C@@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000191098988 823648872 /nfs/dbraw/zinc/64/88/72/823648872.db2.gz FWJKXFAZGANQDY-OAHLLOKOSA-N 1 0 385.474 4.325 20 0 GIADRO Cc1cc(F)ccc1C1CCN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC1 ZINC000412351599 823649076 /nfs/dbraw/zinc/64/90/76/823649076.db2.gz BVFDGFAJMLSTRK-FQEVSTJZSA-N 1 0 390.568 4.058 20 0 GIADRO COCCN(C)c1ccc(C[NH2+][C@H](Cc2ccccc2)c2cccs2)cn1 ZINC000191102789 823649601 /nfs/dbraw/zinc/64/96/01/823649601.db2.gz YJBVNHDCWZONIC-HXUWFJFHSA-N 1 0 381.545 4.299 20 0 GIADRO COc1ccc(CC[C@@H](C)NC(=O)NCc2ccccc2C[N@H+](C)C(C)C)cc1 ZINC000062931857 823649620 /nfs/dbraw/zinc/64/96/20/823649620.db2.gz BJSISYDXUJDVJI-LJQANCHMSA-N 1 0 397.563 4.356 20 0 GIADRO Cc1ccc(F)cc1NC(=O)[C@H](C)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000125072329 823649939 /nfs/dbraw/zinc/64/99/39/823649939.db2.gz VNWDVWPVFQWLPD-SFHVURJKSA-N 1 0 398.526 4.104 20 0 GIADRO O=C(CCOc1ccc(Cl)cc1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000063081462 823650640 /nfs/dbraw/zinc/65/06/40/823650640.db2.gz OOLKUVANMAIVKH-UHFFFAOYSA-N 1 0 386.923 4.137 20 0 GIADRO O=C(CCc1ccc(Cl)s1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000063081577 823650648 /nfs/dbraw/zinc/65/06/48/823650648.db2.gz XGDAXESELRWRNV-UHFFFAOYSA-N 1 0 376.953 4.363 20 0 GIADRO COc1cccc([C@H](C[NH2+][C@@H](C)c2cnn(C(C)(C)C)c2C)N2CCCC2)c1 ZINC000191117428 823650928 /nfs/dbraw/zinc/65/09/28/823650928.db2.gz JHWMVUBVIUTBSV-JTSKRJEESA-N 1 0 384.568 4.443 20 0 GIADRO CC[NH+](CC)CCSCc1nc(-c2cc(Br)cs2)no1 ZINC000461519388 823653027 /nfs/dbraw/zinc/65/30/27/823653027.db2.gz NUJWKHYQPNBTCU-UHFFFAOYSA-N 1 0 376.345 4.136 20 0 GIADRO C[NH+]1CCC(NC(=S)N[C@H](Cc2ccc(Cl)cc2)c2ccccc2)CC1 ZINC000063150522 823653175 /nfs/dbraw/zinc/65/31/75/823653175.db2.gz FPZDJBSBBMIIOB-HXUWFJFHSA-N 1 0 387.980 4.182 20 0 GIADRO CCOc1ccc(NC(=S)NC2CC[NH+](Cc3ccccc3)CC2)c(C)c1 ZINC000063150071 823653205 /nfs/dbraw/zinc/65/32/05/823653205.db2.gz MUJHYINBDBLPFA-UHFFFAOYSA-N 1 0 383.561 4.345 20 0 GIADRO CC[C@@H]1CN(c2ccccc2)CCN1C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000461522065 823653435 /nfs/dbraw/zinc/65/34/35/823653435.db2.gz JNICPUIYNCLHIZ-JOCHJYFZSA-N 1 0 377.532 4.023 20 0 GIADRO O=C(NC[C@@H]1CCCC[C@H]1c1ccccc1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412406483 823653790 /nfs/dbraw/zinc/65/37/90/823653790.db2.gz YJIGJTASOSQEIK-BDTNDASRSA-N 1 0 386.605 4.294 20 0 GIADRO COc1c(Cl)cccc1NC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000063172605 823653892 /nfs/dbraw/zinc/65/38/92/823653892.db2.gz SJZHAEWXVDQHSY-UHFFFAOYSA-N 1 0 389.952 4.300 20 0 GIADRO CC(C)[C@@H](CNC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)Cc1ccccc1 ZINC000191152107 823653979 /nfs/dbraw/zinc/65/39/79/823653979.db2.gz JHKRHMKNCYALSD-OAQYLSRUSA-N 1 0 397.563 4.400 20 0 GIADRO CCOc1ccc(NC(=S)NCC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000063179674 823654488 /nfs/dbraw/zinc/65/44/88/823654488.db2.gz RJIZVWRITYKRGH-UHFFFAOYSA-N 1 0 383.561 4.284 20 0 GIADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)N[C@@H]2COc3cccc(Cl)c32)CC1 ZINC000461539770 823655803 /nfs/dbraw/zinc/65/58/03/823655803.db2.gz JSMAWMJXOAUGPB-LJQANCHMSA-N 1 0 399.922 4.080 20 0 GIADRO O=C(OCC1CC[NH+](Cc2ccccc2)CC1)c1ccn(-c2cccc(F)c2)n1 ZINC000063236780 823655980 /nfs/dbraw/zinc/65/59/80/823655980.db2.gz RIIVGETULVMVDR-UHFFFAOYSA-N 1 0 393.462 4.080 20 0 GIADRO CC[NH+]1CCC(CNc2nc(CN3CCCC3)nc3sc(C)c(C)c32)CC1 ZINC000063248099 823656726 /nfs/dbraw/zinc/65/67/26/823656726.db2.gz NNUOSTIXTQTBBM-UHFFFAOYSA-N 1 0 387.597 4.048 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1ccc(F)c(Br)c1)c1ccc(NC(N)=O)cc1 ZINC000125174795 823656901 /nfs/dbraw/zinc/65/69/01/823656901.db2.gz UDKYIGJFIVAWSZ-GHMZBOCLSA-N 1 0 380.261 4.491 20 0 GIADRO CCO[C@H]1C[C@H](NC(=O)C2CC[NH+](Cc3ccccc3)CC2)C12CCCCC2 ZINC000461549173 823657081 /nfs/dbraw/zinc/65/70/81/823657081.db2.gz VWARIVFRAOVQBE-VXKWHMMOSA-N 1 0 384.564 4.143 20 0 GIADRO C[N@H+](Cc1ccco1)Cc1ccccc1CNCc1nccn1-c1ccccc1 ZINC000191187989 823657557 /nfs/dbraw/zinc/65/75/57/823657557.db2.gz DGUSIBAPTFEQKL-UHFFFAOYSA-N 1 0 386.499 4.387 20 0 GIADRO CCCOc1ccc(NC(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)cc1 ZINC000125188533 823657926 /nfs/dbraw/zinc/65/79/26/823657926.db2.gz FMEYSJYKIRXYTM-QGZVFWFLSA-N 1 0 382.508 4.218 20 0 GIADRO Cc1c([C@H](C)[NH2+]Cc2cccc(NC(=O)c3ccncc3)c2)cnn1C(C)C ZINC000191195006 823658274 /nfs/dbraw/zinc/65/82/74/823658274.db2.gz XGZQMGIGHAMRTP-INIZCTEOSA-N 1 0 377.492 4.271 20 0 GIADRO COc1ccc(CCC(=O)NC2CC[NH+](CC3CCCC3)CC2)cc1Cl ZINC000063272705 823658691 /nfs/dbraw/zinc/65/86/91/823658691.db2.gz KNXJTCBQAZCUOE-UHFFFAOYSA-N 1 0 378.944 4.052 20 0 GIADRO COc1ccc(OC)c([C@H]2C[C@H]2C(=O)Nc2cc(C[NH+]3CCCC3)ccc2C)c1 ZINC000191201016 823658684 /nfs/dbraw/zinc/65/86/84/823658684.db2.gz KDSSZMYWJWUJNY-TZIWHRDSSA-N 1 0 394.515 4.350 20 0 GIADRO CCc1c(C(=O)NC2CC[NH+](CC3CCCC3)CC2)cnn1-c1ccc(C)cc1 ZINC000063272472 823658746 /nfs/dbraw/zinc/65/87/46/823658746.db2.gz GKQCVTLRIVUDNX-UHFFFAOYSA-N 1 0 394.563 4.128 20 0 GIADRO COCCN(C)c1ccc(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)cn1 ZINC000191204529 823658915 /nfs/dbraw/zinc/65/89/15/823658915.db2.gz CGLIVJZXDLQPEH-UHFFFAOYSA-N 1 0 378.520 4.025 20 0 GIADRO c1cc(OCC2CC2)ccc1C[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000191205506 823659013 /nfs/dbraw/zinc/65/90/13/823659013.db2.gz HTPFXYCDFWBUKZ-FQEVSTJZSA-N 1 0 380.536 4.173 20 0 GIADRO Cc1c([C@H](C)[NH2+]C[C@H](O)COc2ccc(C(F)(F)F)cc2)cnn1C(C)(C)C ZINC000191208667 823659186 /nfs/dbraw/zinc/65/91/86/823659186.db2.gz KSYVPKCSEGGPRJ-BBRMVZONSA-N 1 0 399.457 4.056 20 0 GIADRO CC[C@H]([NH2+]Cc1ccccc1CS(=O)(=O)NC(C)C)c1cc(F)ccc1F ZINC000125210078 823659311 /nfs/dbraw/zinc/65/93/11/823659311.db2.gz FBVSSSCSMBSGSJ-FQEVSTJZSA-N 1 0 396.503 4.034 20 0 GIADRO CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2csc(Cl)c2)cc1 ZINC000191209643 823659421 /nfs/dbraw/zinc/65/94/21/823659421.db2.gz YUXRCFASEJSPGZ-ZDUSSCGKSA-N 1 0 386.970 4.281 20 0 GIADRO Cc1c([C@H](C)[NH2+]Cc2cccc(CN3CCO[C@H](C)C3)c2)cnn1C(C)(C)C ZINC000191209580 823659428 /nfs/dbraw/zinc/65/94/28/823659428.db2.gz XHUBADPOKTYIMZ-MSOLQXFVSA-N 1 0 384.568 4.018 20 0 GIADRO COCCN(C)c1ccc(C[NH2+]Cc2ccc(-c3cccc(OC)c3)cc2)cn1 ZINC000191212092 823659626 /nfs/dbraw/zinc/65/96/26/823659626.db2.gz MBYGQPRJCQAQDF-UHFFFAOYSA-N 1 0 391.515 4.130 20 0 GIADRO CC(C)[C@@H](C)NC(=O)C1CC[NH+]([C@@H](C)c2cccc(Br)c2)CC1 ZINC000125221084 823660051 /nfs/dbraw/zinc/66/00/51/823660051.db2.gz GYPMJVPUKOVCTE-CABCVRRESA-N 1 0 381.358 4.383 20 0 GIADRO CCOc1cccc([C@@H](C)[NH2+][C@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)c1 ZINC000063311630 823661675 /nfs/dbraw/zinc/66/16/75/823661675.db2.gz WZMAFADNLVUDIW-IAGOWNOFSA-N 1 0 383.492 4.090 20 0 GIADRO C[NH+](C)Cc1ccc(NC(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)c(F)c1 ZINC000412556585 823662037 /nfs/dbraw/zinc/66/20/37/823662037.db2.gz FPMKABAOITYTNN-UHFFFAOYSA-N 1 0 396.466 4.310 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)Nc3ccccc3Cl)CC2)cc1 ZINC000063321219 823662271 /nfs/dbraw/zinc/66/22/71/823662271.db2.gz OPQGFZGACXHDPY-UHFFFAOYSA-N 1 0 387.911 4.382 20 0 GIADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)c1ccc(-c2cccs2)o1 ZINC000412565687 823663000 /nfs/dbraw/zinc/66/30/00/823663000.db2.gz DDPXOJKRRYGKAP-UHFFFAOYSA-N 1 0 386.473 4.209 20 0 GIADRO COCC[N@H+](Cc1cccnc1)Cc1ccc(Br)c2cccnc12 ZINC000191247075 823663046 /nfs/dbraw/zinc/66/30/46/823663046.db2.gz ZIQQKKCDMYEORN-UHFFFAOYSA-N 1 0 386.293 4.041 20 0 GIADRO Cc1cccc2c1OCC[C@H]2NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000191248064 823663174 /nfs/dbraw/zinc/66/31/74/823663174.db2.gz ZHYAGVPKRNCCJR-GZNCHQMQSA-N 1 0 385.552 4.161 20 0 GIADRO CCN(Cc1ccccc1)C(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000063331501 823663385 /nfs/dbraw/zinc/66/33/85/823663385.db2.gz OXQHQQNZGLWSSJ-UHFFFAOYSA-N 1 0 395.547 4.139 20 0 GIADRO CSc1ccc([C@H](C)NC(=O)NC2CC[NH+](CC3CCCC3)CC2)cc1 ZINC000063332827 823663506 /nfs/dbraw/zinc/66/35/06/823663506.db2.gz HFZIUFYMMKREDD-INIZCTEOSA-N 1 0 375.582 4.423 20 0 GIADRO Cc1c2ccccc2oc1[C@H](C)[NH2+][C@@H](C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000191254445 823663868 /nfs/dbraw/zinc/66/38/68/823663868.db2.gz HPSDZRIRDYSJHR-BXWFABGCSA-N 1 0 378.472 4.420 20 0 GIADRO CC(C)c1c(C(=O)N(C)CC2CC[NH+](C)CC2)cnn1-c1ccccc1Cl ZINC000191256556 823664015 /nfs/dbraw/zinc/66/40/15/823664015.db2.gz OBXLTYJIALZIID-UHFFFAOYSA-N 1 0 388.943 4.063 20 0 GIADRO C[NH+](C)Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)c(F)c1 ZINC000412582338 823664159 /nfs/dbraw/zinc/66/41/59/823664159.db2.gz SETRRBXHLLZIQF-JKSUJKDBSA-N 1 0 391.284 4.392 20 0 GIADRO CCc1c2ccccc2oc1C(=O)Nc1ccc(OCC[NH+](C)C)cc1OC ZINC000412583471 823664165 /nfs/dbraw/zinc/66/41/65/823664165.db2.gz WILVLGOCMLLELH-UHFFFAOYSA-N 1 0 382.460 4.197 20 0 GIADRO CC(=O)Nc1cc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)ccc1Cl ZINC000063337978 823664254 /nfs/dbraw/zinc/66/42/54/823664254.db2.gz PNTDPJYHJSWWMS-QGZVFWFLSA-N 1 0 385.895 4.149 20 0 GIADRO Cc1c([C@H](C)[NH2+][C@@H]2CCN(c3ccc(Br)cc3)C2)cnn1C(C)C ZINC000191261296 823664828 /nfs/dbraw/zinc/66/48/28/823664828.db2.gz TXTIRQHPXFKHBQ-WMLDXEAASA-N 1 0 391.357 4.464 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)Nc3cc(C)ccc3F)CC2)cc1 ZINC000063389080 823666478 /nfs/dbraw/zinc/66/64/78/823666478.db2.gz XLGLCTXUEBTNDU-UHFFFAOYSA-N 1 0 385.483 4.176 20 0 GIADRO O=C(Nc1ccc(OCC(F)(F)F)cc1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000063390243 823666631 /nfs/dbraw/zinc/66/66/31/823666631.db2.gz AYPWTMTUPCSWFY-UHFFFAOYSA-N 1 0 399.457 4.404 20 0 GIADRO COc1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccc(C(C)(C)C)cc2)cc1NC(C)=O ZINC000125310678 823666905 /nfs/dbraw/zinc/66/69/05/823666905.db2.gz ZAEJHELSMOPPDO-YCRPNKLZSA-N 1 0 384.520 4.335 20 0 GIADRO COc1ccc(C[NH+]2CCC(CNC(=O)Nc3cccc(F)c3F)CC2)cc1 ZINC000063394739 823667589 /nfs/dbraw/zinc/66/75/89/823667589.db2.gz VOGZWOKHBVMJBL-UHFFFAOYSA-N 1 0 389.446 4.007 20 0 GIADRO C[C@H](NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1C(F)(F)F ZINC000125325936 823668189 /nfs/dbraw/zinc/66/81/89/823668189.db2.gz HXPTXNUPAUCKAQ-KHYOSLBOSA-N 1 0 395.469 4.425 20 0 GIADRO CC[C@H](NC(=O)NC1CCC(C[NH+](C)C)CC1)c1nc(C(F)(F)F)cs1 ZINC000125331295 823668524 /nfs/dbraw/zinc/66/85/24/823668524.db2.gz NWZBQDMHHUXEKW-BPCQOVAHSA-N 1 0 392.491 4.033 20 0 GIADRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000063404190 823668665 /nfs/dbraw/zinc/66/86/65/823668665.db2.gz WMXKDGOAILRKPR-UHFFFAOYSA-N 1 0 394.563 4.301 20 0 GIADRO COc1ccc([C@H](O)C[NH2+][C@@H](C)c2cnn(-c3cc(C)ccc3C)c2C)cc1 ZINC000125361546 823670696 /nfs/dbraw/zinc/67/06/96/823670696.db2.gz WYYMVJDKUYFOMT-GAJHUEQPSA-N 1 0 379.504 4.190 20 0 GIADRO C[C@@H](CC1CCOCC1)[NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000125379741 823671843 /nfs/dbraw/zinc/67/18/43/823671843.db2.gz WIJKVRSJWANYMI-INIZCTEOSA-N 1 0 384.486 4.465 20 0 GIADRO CC(C)Oc1ccc([C@H](O)C[NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)cc1 ZINC000125383824 823672137 /nfs/dbraw/zinc/67/21/37/823672137.db2.gz VZYGWPHBCPIPDP-KSFYIVLOSA-N 1 0 397.519 4.142 20 0 GIADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000461631542 823673058 /nfs/dbraw/zinc/67/30/58/823673058.db2.gz PJWVFASPUNLSQN-QGZVFWFLSA-N 1 0 382.508 4.181 20 0 GIADRO C[C@@H]1C[C@H](NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)C[C@@H](c2ccccc2)C1 ZINC000412667890 823673333 /nfs/dbraw/zinc/67/33/33/823673333.db2.gz BEMWVTXOIYWEKO-AGOPTVSRSA-N 1 0 386.605 4.293 20 0 GIADRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1ccc(Oc2ccncc2)c(Cl)c1 ZINC000461652922 823675455 /nfs/dbraw/zinc/67/54/55/823675455.db2.gz ZRWKMRAWGALVEN-HNNXBMFYSA-N 1 0 375.900 4.378 20 0 GIADRO COc1ccc(OC)c(NC(=O)[C@H](C)[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)c1 ZINC000191361240 823676405 /nfs/dbraw/zinc/67/64/05/823676405.db2.gz WJOQDOBXTOBFGH-ILZDJORESA-N 1 0 382.504 4.032 20 0 GIADRO COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cc3ccccc3o2)c1 ZINC000191362536 823676621 /nfs/dbraw/zinc/67/66/21/823676621.db2.gz YAOUTJMEMIQAQK-OWCLPIDISA-N 1 0 396.487 4.367 20 0 GIADRO C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCC[C@H](Oc2ccccc2)C1 ZINC000412706285 823676922 /nfs/dbraw/zinc/67/69/22/823676922.db2.gz GTQOSCLZQFBZOQ-SFHVURJKSA-N 1 0 378.472 4.178 20 0 GIADRO O[C@H](COc1cccc(C(F)(F)F)c1)C[N@H+](Cc1ccco1)C1CCCC1 ZINC000063522311 823677629 /nfs/dbraw/zinc/67/76/29/823677629.db2.gz VJBWFQIJSSMLQT-KRWDZBQOSA-N 1 0 383.410 4.483 20 0 GIADRO CC[C@@H](C)n1ncc(C(=O)Nc2cccc(OCCC[NH+](C)C)c2)c1C1CC1 ZINC000125458005 823677711 /nfs/dbraw/zinc/67/77/11/823677711.db2.gz JJKIVWOKKPBAEL-MRXNPFEDSA-N 1 0 384.524 4.314 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1nc2ccccc2s1 ZINC000125456240 823677719 /nfs/dbraw/zinc/67/77/19/823677719.db2.gz DXVYUEDTKWIOQF-SFHVURJKSA-N 1 0 379.529 4.281 20 0 GIADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc3ccccc3n2Cc2ccccc2F)C1 ZINC000063530619 823677767 /nfs/dbraw/zinc/67/77/67/823677767.db2.gz OXEPCEWSBPRRBE-SFHVURJKSA-N 1 0 393.506 4.289 20 0 GIADRO Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)NC[C@@H]3CC[N@@H+](C(C)C)C3)c12 ZINC000063530602 823677809 /nfs/dbraw/zinc/67/78/09/823677809.db2.gz WKPMELXCMYNDRF-KRWDZBQOSA-N 1 0 399.583 4.078 20 0 GIADRO CCn1c(C2CC2)nn(CN2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)c1=S ZINC000125463722 823678178 /nfs/dbraw/zinc/67/81/78/823678178.db2.gz FQZYHOTYWBFRLR-QGZVFWFLSA-N 1 0 391.629 4.245 20 0 GIADRO CCOc1ccc(NC(=O)C[NH2+]Cc2ccc(OCc3ccccc3)cc2)cc1 ZINC000063559623 823679363 /nfs/dbraw/zinc/67/93/63/823679363.db2.gz YIIZVBUWHJKQAH-UHFFFAOYSA-N 1 0 390.483 4.393 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCC1CCN(Cn2ncn(C(C)(C)C)c2=S)CC1 ZINC000125478420 823679457 /nfs/dbraw/zinc/67/94/57/823679457.db2.gz FDNFLIPVMZRNOV-KRWDZBQOSA-N 1 0 379.618 4.103 20 0 GIADRO Cc1ccc([C@H]2CCCN2C(=O)NC2CC[NH+](Cc3ccccn3)CC2)cc1C ZINC000063615288 823683418 /nfs/dbraw/zinc/68/34/18/823683418.db2.gz OVBXRBBWRWPYHO-HSZRJFAPSA-N 1 0 392.547 4.210 20 0 GIADRO CN(C(=O)N[C@@H]1COc2cccc(Cl)c21)C1CC[NH+](Cc2ccccc2)CC1 ZINC000461707041 823685088 /nfs/dbraw/zinc/68/50/88/823685088.db2.gz VAYLYGOTUUCQRE-LJQANCHMSA-N 1 0 399.922 4.080 20 0 GIADRO CCOC(=O)N[C@H](C[NH2+][C@H](C)c1sc(-c2cccnc2)nc1C)CC(C)C ZINC000125565366 823685858 /nfs/dbraw/zinc/68/58/58/823685858.db2.gz APLNUGUGYINMNR-PBHICJAKSA-N 1 0 390.553 4.325 20 0 GIADRO COc1ccccc1OCCC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000063679696 823688960 /nfs/dbraw/zinc/68/89/60/823688960.db2.gz XSISZCXEXAKOKH-UHFFFAOYSA-N 1 0 396.531 4.157 20 0 GIADRO COC[C@@H](Cc1ccccc1)[N@H+](C)CCC(=O)Nc1ccccc1C(F)(F)F ZINC000191482089 823689524 /nfs/dbraw/zinc/68/95/24/823689524.db2.gz SJBMALYETZNPFI-QGZVFWFLSA-N 1 0 394.437 4.224 20 0 GIADRO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[NH+]1CCC(OC2CCCCC2)CC1 ZINC000125615559 823690169 /nfs/dbraw/zinc/69/01/69/823690169.db2.gz QUIRLFUWVFSUPT-DLBZAZTESA-N 1 0 376.516 4.205 20 0 GIADRO CSc1ccc2cc(C[N@@H+]3CCCC[C@@H]3[C@H]3CNC(=O)C3)c(Cl)nc2c1 ZINC000125623161 823690802 /nfs/dbraw/zinc/69/08/02/823690802.db2.gz ZICRRIMKBHQLEK-RDTXWAMCSA-N 1 0 389.952 4.101 20 0 GIADRO C[C@H]([NH2+][C@H]1CCCN(c2cccc(F)c2)C1)c1cccc(N2CCOC2=O)c1 ZINC000125621776 823690847 /nfs/dbraw/zinc/69/08/47/823690847.db2.gz MGWOGDXGLFCVHL-LPHOPBHVSA-N 1 0 383.467 4.102 20 0 GIADRO CC[NH+](CC)[C@@H](CN[C@H](c1ncc[nH]1)c1ccccc1)c1cccc(OC)c1 ZINC000125630195 823691567 /nfs/dbraw/zinc/69/15/67/823691567.db2.gz CAQPVISAXMABQW-VXKWHMMOSA-N 1 0 378.520 4.180 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000063724988 823691874 /nfs/dbraw/zinc/69/18/74/823691874.db2.gz DKGKJJHQJONPBV-UHFFFAOYSA-N 1 0 375.513 4.204 20 0 GIADRO Cc1nn(-c2ccccc2)c2sc(C(=O)N3CCC[N@@H+](C(C)(C)C)CC3)cc12 ZINC000063726634 823692190 /nfs/dbraw/zinc/69/21/90/823692190.db2.gz ALHHTRLQAKMCKC-UHFFFAOYSA-N 1 0 396.560 4.342 20 0 GIADRO Cc1ccc(C[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)c(-n2cc(Cl)cn2)n1 ZINC000191502479 823692318 /nfs/dbraw/zinc/69/23/18/823692318.db2.gz VOOPBTZEYMMTSB-UHFFFAOYSA-N 1 0 398.894 4.164 20 0 GIADRO O=C1OCC[C@@H]1CC[NH+]1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000125638176 823692261 /nfs/dbraw/zinc/69/22/61/823692261.db2.gz NHDBETSYQQSSJD-RBBKRZOGSA-N 1 0 398.934 4.000 20 0 GIADRO Cc1cc(C[NH2+][C@@H](C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)on1 ZINC000125644464 823692904 /nfs/dbraw/zinc/69/29/04/823692904.db2.gz CXSDLDWTKAAZEH-VIFPVBQESA-N 1 0 375.778 4.162 20 0 GIADRO CCCn1ccnc1CCC[N@H+](C)Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000191506795 823693043 /nfs/dbraw/zinc/69/30/43/823693043.db2.gz KDCSTQFQWSIBBE-UHFFFAOYSA-N 1 0 377.536 4.032 20 0 GIADRO CCCn1ccnc1CCC[N@H+](C)[C@@H](C)c1nc2sc(C)c(C)c2c(N)n1 ZINC000191513060 823694051 /nfs/dbraw/zinc/69/40/51/823694051.db2.gz XLBIXDVMCGMNRT-AWEZNQCLSA-N 1 0 386.569 4.122 20 0 GIADRO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1ccccc1NC(=O)c1cccs1 ZINC000063771502 823694738 /nfs/dbraw/zinc/69/47/38/823694738.db2.gz AIAWDIUGCGSNIA-UHFFFAOYSA-N 1 0 399.560 4.337 20 0 GIADRO COc1ccc(CC[NH2+]Cc2ccccc2OCc2ccncc2)c(OC)c1 ZINC000063776294 823695093 /nfs/dbraw/zinc/69/50/93/823695093.db2.gz JTJLWRIZCSEFGL-UHFFFAOYSA-N 1 0 378.472 4.010 20 0 GIADRO COC[C@@H]([NH2+]CC1(c2cc(C(F)(F)F)ccc2Cl)CC1)C1CCOCC1 ZINC000191524707 823695321 /nfs/dbraw/zinc/69/53/21/823695321.db2.gz SMDKKBWHXOWQIN-QGZVFWFLSA-N 1 0 391.861 4.422 20 0 GIADRO Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000063781913 823695361 /nfs/dbraw/zinc/69/53/61/823695361.db2.gz WWCPOFPWSHTLNW-GFCCVEGCSA-N 1 0 399.482 4.475 20 0 GIADRO CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CC ZINC000461794101 823696287 /nfs/dbraw/zinc/69/62/87/823696287.db2.gz FONWBKUYEZPMHJ-FXAWDEMLSA-N 1 0 385.556 4.023 20 0 GIADRO CCCCn1c(SC[C@H]2CCCC[N@@H+]2C(C)C)nnc1[C@@H](CC)N(C)C ZINC000412979824 823696564 /nfs/dbraw/zinc/69/65/64/823696564.db2.gz DCFUZHJYTNHQBM-QZTJIDSGSA-N 1 0 381.634 4.446 20 0 GIADRO C[NH+]1CCC(NC(=O)Nc2ccccc2SC[C@H]2CC2(Cl)Cl)CC1 ZINC000125686389 823696792 /nfs/dbraw/zinc/69/67/92/823696792.db2.gz IWISEYJKXPIFHB-GFCCVEGCSA-N 1 0 388.364 4.188 20 0 GIADRO CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H]1CCSc2ccc(OC)cc21 ZINC000191537179 823697212 /nfs/dbraw/zinc/69/72/12/823697212.db2.gz KLEOLUXWJQRBCX-DNVCBOLYSA-N 1 0 391.558 4.074 20 0 GIADRO CC1(C)CC(NC(=O)c2cc(-c3ccccc3C(F)(F)F)on2)CC(C)(C)[NH2+]1 ZINC000461801543 823697464 /nfs/dbraw/zinc/69/74/64/823697464.db2.gz NHGOXHBPOKQLRP-UHFFFAOYSA-N 1 0 395.425 4.399 20 0 GIADRO C[NH+](C)Cc1ccc(-c2noc([C@@H](OC3CCOCC3)c3ccccc3)n2)cc1 ZINC000461803495 823697834 /nfs/dbraw/zinc/69/78/34/823697834.db2.gz ZAPXKKMJDOLIME-NRFANRHFSA-N 1 0 393.487 4.083 20 0 GIADRO COCc1cccc(CNC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)c1 ZINC000063799494 823697974 /nfs/dbraw/zinc/69/79/74/823697974.db2.gz XDYRFKVHNUIYDV-UHFFFAOYSA-N 1 0 395.547 4.208 20 0 GIADRO CN1CC[NH+](CCCSc2nnc(-c3ccc(F)cc3)c3ccccc32)CC1 ZINC000412987710 823698014 /nfs/dbraw/zinc/69/80/14/823698014.db2.gz WPJMGGVEJYTSDU-UHFFFAOYSA-N 1 0 396.535 4.166 20 0 GIADRO COc1ccccc1Nc1ncccc1C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000063801487 823698324 /nfs/dbraw/zinc/69/83/24/823698324.db2.gz XFVSXLPOUIAVPV-UHFFFAOYSA-N 1 0 396.535 4.028 20 0 GIADRO CC(C)[N@@H+]1CCCC[C@H]1CSc1nnc(-c2ccccn2)n1Cc1ccco1 ZINC000413003545 823699522 /nfs/dbraw/zinc/69/95/22/823699522.db2.gz UVURBQACFSXOTP-KRWDZBQOSA-N 1 0 397.548 4.336 20 0 GIADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1[nH]c2ccccc2c1Br ZINC000063821963 823699581 /nfs/dbraw/zinc/69/95/81/823699581.db2.gz WTVBXFDCMBDLHC-AWEZNQCLSA-N 1 0 392.341 4.315 20 0 GIADRO Cc1nc(COc2cccc(C(=O)N(CC[NH+](C)C)c3ccccc3)c2)cs1 ZINC000063829371 823700008 /nfs/dbraw/zinc/70/00/08/823700008.db2.gz KZRLQGSHSDFHRX-UHFFFAOYSA-N 1 0 395.528 4.239 20 0 GIADRO CCN(CCC[NH+](C)C)C(=O)Nc1cccc(OCc2ccccc2OC)c1C ZINC000191568574 823701260 /nfs/dbraw/zinc/70/12/60/823701260.db2.gz HPMPAHPGRLVTDA-UHFFFAOYSA-N 1 0 399.535 4.388 20 0 GIADRO Cc1cccc([C@@H](NC(=O)NCCCC[NH+]2CCC(C)CC2)c2ccccn2)c1 ZINC000125732444 823701488 /nfs/dbraw/zinc/70/14/88/823701488.db2.gz HFBKDIOXZFZJRS-HSZRJFAPSA-N 1 0 394.563 4.291 20 0 GIADRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]Cc1ccc(N(C)C(C)C)nc1 ZINC000191571259 823702058 /nfs/dbraw/zinc/70/20/58/823702058.db2.gz GRQQTATVOJLRQS-ZDUSSCGKSA-N 1 0 383.462 4.153 20 0 GIADRO COc1ccc([C@H](Cc2ccccc2)[NH2+]C[C@@H](O)COc2ccccc2)cc1 ZINC000574322911 823702597 /nfs/dbraw/zinc/70/25/97/823702597.db2.gz UEEYRKCOTYXZSM-QPPBQGQZSA-N 1 0 377.484 4.009 20 0 GIADRO Cc1ccc([C@H]2CCC[N@@H+]2Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)cc1C ZINC000063858915 823703135 /nfs/dbraw/zinc/70/31/35/823703135.db2.gz QAPWOVMEWBYPBV-HXUWFJFHSA-N 1 0 377.448 4.265 20 0 GIADRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCCO[C@@H](C)c1ccccc1 ZINC000163353041 823703332 /nfs/dbraw/zinc/70/33/32/823703332.db2.gz IJTVYLJGQXOWAO-HOTGVXAUSA-N 1 0 375.900 4.210 20 0 GIADRO CC(C)[C@H]1N(C(=O)NCc2ccccc2C[NH+]2CCCCC2)CC12CCOCC2 ZINC000413074524 823703413 /nfs/dbraw/zinc/70/34/13/823703413.db2.gz JOEKBUDLYOCJHO-JOCHJYFZSA-N 1 0 399.579 4.019 20 0 GIADRO CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+]C2CCC3(CCCCC3)CC2)CC1 ZINC000191581800 823704253 /nfs/dbraw/zinc/70/42/53/823704253.db2.gz UFODEGDSNPJPNF-GOSISDBHSA-N 1 0 392.584 4.049 20 0 GIADRO CC(C)(C)n1cc(C[NH2+]C2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)nn1 ZINC000191585471 823704694 /nfs/dbraw/zinc/70/46/94/823704694.db2.gz WLFUGAYEJOXJGJ-UHFFFAOYSA-N 1 0 396.366 4.094 20 0 GIADRO C[C@@H]1C[C@@H](CNC(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)[C@@H](C)O1 ZINC000413084784 823704732 /nfs/dbraw/zinc/70/47/32/823704732.db2.gz OLTTVOSNHKYAIG-HMFYCAOWSA-N 1 0 395.547 4.028 20 0 GIADRO C[C@@H]([NH2+]CCCO[C@H](C)c1ccccc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000163378092 823705019 /nfs/dbraw/zinc/70/50/19/823705019.db2.gz RSFOAYLBPMNUGY-HZPDHXFCSA-N 1 0 379.497 4.048 20 0 GIADRO Fc1cccc(C[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)c1Cl ZINC000574342388 823705079 /nfs/dbraw/zinc/70/50/79/823705079.db2.gz PBNPLUQGFJQFBD-FOIQADDNSA-N 1 0 375.875 4.368 20 0 GIADRO COc1ccc([C@H](C)[NH2+][C@H]2CCN(c3cccc(Cl)c3)C2)cc1NC(C)=O ZINC000163381438 823705243 /nfs/dbraw/zinc/70/52/43/823705243.db2.gz NWKPMEKOXAWGCU-KSSFIOAISA-N 1 0 387.911 4.237 20 0 GIADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@@H](C)c2nc(Cc3ccccc3)no2)C1 ZINC000191596792 823707362 /nfs/dbraw/zinc/70/73/62/823707362.db2.gz CAUSTKPRVNAXQL-UEXGIBASSA-N 1 0 376.504 4.147 20 0 GIADRO CC1CC[NH+](CCCCNC(=O)N2CC3(CCOCC3)[C@H]2c2ccccc2)CC1 ZINC000413103157 823707485 /nfs/dbraw/zinc/70/74/85/823707485.db2.gz FTYVGLHGEMCSHU-JOCHJYFZSA-N 1 0 399.579 4.062 20 0 GIADRO CC(C)Cc1ccc([C@@H](C[NH2+]Cc2cnn(CC(F)(F)F)c2)N(C)C)cc1 ZINC000574361135 823708314 /nfs/dbraw/zinc/70/83/14/823708314.db2.gz JWUYJQNBBUYEQI-LJQANCHMSA-N 1 0 382.474 4.036 20 0 GIADRO CCCn1nc(C)c(C(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1C ZINC000163442282 823709706 /nfs/dbraw/zinc/70/97/06/823709706.db2.gz QOXGEHVFBOKDIX-QGZVFWFLSA-N 1 0 382.552 4.072 20 0 GIADRO COCCOCCC[NH2+][C@@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21 ZINC000163442408 823709748 /nfs/dbraw/zinc/70/97/48/823709748.db2.gz QXDZZOMAYDNQDU-MRXNPFEDSA-N 1 0 380.941 4.484 20 0 GIADRO O=C(c1cccc(C[NH+]2CCCC2)c1)N1CCC(OCc2ccccc2)CC1 ZINC000063914078 823710557 /nfs/dbraw/zinc/71/05/57/823710557.db2.gz UDYJXHPXPIQLFL-UHFFFAOYSA-N 1 0 378.516 4.104 20 0 GIADRO CC(C)[C@@H](NC(=O)c1cccc(C[NH+]2CCCC2)c1)c1nc2ccccc2[nH]1 ZINC000063914838 823710616 /nfs/dbraw/zinc/71/06/16/823710616.db2.gz WOXOFDDRQRWLQQ-OAQYLSRUSA-N 1 0 376.504 4.286 20 0 GIADRO CC(C)[C@H]([NH2+][C@@H]1CCCc2ccc(S(N)(=O)=O)cc21)c1ccc(Cl)cc1 ZINC000574369899 823710696 /nfs/dbraw/zinc/71/06/96/823710696.db2.gz SSBGUGXQDKYVET-UXHICEINSA-N 1 0 392.952 4.352 20 0 GIADRO C[C@H]([NH2+][C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1)c1nnc(-c2ccccc2)o1 ZINC000574368831 823710868 /nfs/dbraw/zinc/71/08/68/823710868.db2.gz URXCQYLFEQRCGS-JVPBZIDWSA-N 1 0 382.895 4.486 20 0 GIADRO Brc1cccc(C[C@H](CC2CC2)[NH2+]Cc2c[nH]c3nccnc23)c1 ZINC000574371802 823711429 /nfs/dbraw/zinc/71/14/29/823711429.db2.gz JWWZCDDDHXWBOQ-KRWDZBQOSA-N 1 0 385.309 4.173 20 0 GIADRO CC(C)n1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000574372927 823711773 /nfs/dbraw/zinc/71/17/73/823711773.db2.gz ZBEJTAYRBVBZOP-GOSISDBHSA-N 1 0 392.551 4.320 20 0 GIADRO COc1ccc([C@@H]([NH2+]CCN2CCc3ccccc3C2=O)c2ccccc2)cc1 ZINC000191621756 823716435 /nfs/dbraw/zinc/71/64/35/823716435.db2.gz JCHKXVCPPKZVFY-DEOSSOPVSA-N 1 0 386.495 4.073 20 0 GIADRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CCCOC[C@H]3CCCO3)s2)cc1 ZINC000163518735 823718074 /nfs/dbraw/zinc/71/80/74/823718074.db2.gz CSQJDEKZLAGFKU-DNVCBOLYSA-N 1 0 390.549 4.363 20 0 GIADRO C[C@@H]([NH2+]CCN1CCc2ccccc2C1=O)[C@@H](C)c1nc2ccccc2s1 ZINC000191628332 823718155 /nfs/dbraw/zinc/71/81/55/823718155.db2.gz ZKXFWVIDEIQJJP-HZPDHXFCSA-N 1 0 379.529 4.076 20 0 GIADRO COc1cc(OC)c([C@@H](C)[NH2+]C2CCN(c3ccc(C)cn3)CC2)cc1Cl ZINC000163526260 823718441 /nfs/dbraw/zinc/71/84/41/823718441.db2.gz UPXLAARQDFYUSX-OAHLLOKOSA-N 1 0 389.927 4.380 20 0 GIADRO C[C@H]([NH2+]CC[C@H](C)[S@](C)=O)c1ccc(Br)cc1Br ZINC000163545238 823720029 /nfs/dbraw/zinc/72/00/29/823720029.db2.gz XCQKRAATECOKPF-LXIMFEHMSA-N 1 0 397.176 4.019 20 0 GIADRO COc1ccc(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c(OC(F)F)c1 ZINC000191640530 823721988 /nfs/dbraw/zinc/72/19/88/823721988.db2.gz PSYFMFRNWGSZAR-HOTGVXAUSA-N 1 0 396.478 4.023 20 0 GIADRO CCOCc1cccc(NC(=O)N(C)c2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000574410309 823722558 /nfs/dbraw/zinc/72/25/58/823722558.db2.gz GDABJWLNYZOLCW-UHFFFAOYSA-N 1 0 397.519 4.366 20 0 GIADRO CCc1nc(C)c([C@@H](C)[NH2+][C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)s1 ZINC000191644613 823722577 /nfs/dbraw/zinc/72/25/77/823722577.db2.gz UPTIEXNFFMAECA-SJKOYZFVSA-N 1 0 393.503 4.134 20 0 GIADRO C[C@@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC(c2ccncc2)CC1 ZINC000191644799 823722621 /nfs/dbraw/zinc/72/26/21/823722621.db2.gz IADJZOGFZNDKJI-AWEZNQCLSA-N 1 0 388.309 4.051 20 0 GIADRO C[NH+](C)CCc1ccc(C(=O)N[C@@H](c2c(F)cccc2F)C(F)(F)F)cc1 ZINC000574413468 823723109 /nfs/dbraw/zinc/72/31/09/823723109.db2.gz JEAXOSUVHWTGBU-KRWDZBQOSA-N 1 0 386.364 4.102 20 0 GIADRO CCc1c(NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cnn1-c1ccccc1C ZINC000191649873 823724260 /nfs/dbraw/zinc/72/42/60/823724260.db2.gz GTVNQFWTRDHHOK-GOSISDBHSA-N 1 0 383.540 4.081 20 0 GIADRO CCN(Cc1occc1C)C(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000413192359 823724551 /nfs/dbraw/zinc/72/45/51/823724551.db2.gz FIRGXPDNWXLSDZ-UHFFFAOYSA-N 1 0 399.535 4.040 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1N[C@@H](c1ccc(F)cc1)c1ccccn1 ZINC000163587983 823725697 /nfs/dbraw/zinc/72/56/97/823725697.db2.gz IORYRIJDKVEILM-OUOWLKGYSA-N 1 0 390.506 4.205 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)N1CCC=C(c2ccco2)C1)c1cccc(OC)c1 ZINC000574423603 823725782 /nfs/dbraw/zinc/72/57/82/823725782.db2.gz XYBWWPGJFCZYOF-OAQYLSRUSA-N 1 0 397.519 4.170 20 0 GIADRO CC(=O)c1ccc2c(c1)CN(C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1)C2 ZINC000413199079 823726096 /nfs/dbraw/zinc/72/60/96/823726096.db2.gz IOVNLJZQFZJUAB-QHCPKHFHSA-N 1 0 391.515 4.060 20 0 GIADRO Cc1[nH+]c2ccc(Br)cc2c(N2CCC(F)(F)[C@H](CO)C2)c1C ZINC000461868388 823729065 /nfs/dbraw/zinc/72/90/65/823729065.db2.gz SYTNXVNBUZKZQB-LBPRGKRZSA-N 1 0 385.252 4.068 20 0 GIADRO COC[C@@]1(C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)OCCc2ccccc21 ZINC000574442493 823731171 /nfs/dbraw/zinc/73/11/71/823731171.db2.gz LMCGLUPVHGINBN-ZJSXRUAMSA-N 1 0 379.500 4.137 20 0 GIADRO CCCN(CCC[NH+](C)C)C(=O)Nc1cc(F)c(F)cc1N1CCCCC1 ZINC000574443289 823731848 /nfs/dbraw/zinc/73/18/48/823731848.db2.gz SQWLGPLQTMRJHO-UHFFFAOYSA-N 1 0 382.499 4.151 20 0 GIADRO CC(C)(C)OCc1cc(CNc2nccc3cc(Br)ccc32)no1 ZINC000413226782 823732490 /nfs/dbraw/zinc/73/24/90/823732490.db2.gz IHWPDMJTOLDZIK-UHFFFAOYSA-N 1 0 390.281 4.334 20 0 GIADRO c1ccc(CN2CC[C@@H]([NH2+]CC[C@@H]3COc4ccccc4O3)CC23CC3)cc1 ZINC000574451965 823733805 /nfs/dbraw/zinc/73/38/05/823733805.db2.gz YZYBZBWGXUKIPM-NHCUHLMSSA-N 1 0 378.516 4.003 20 0 GIADRO COCC[NH+]1CCC(Nc2cc(C(F)(F)F)ccc2N2CCCCC2)CC1 ZINC000461877395 823734101 /nfs/dbraw/zinc/73/41/01/823734101.db2.gz MTMDBFHFZGFZAW-UHFFFAOYSA-N 1 0 385.474 4.218 20 0 GIADRO c1ccc(CN2CC[C@H]([NH2+]CC[C@H]3COc4ccccc4O3)CC23CC3)cc1 ZINC000574451967 823734265 /nfs/dbraw/zinc/73/42/65/823734265.db2.gz YZYBZBWGXUKIPM-SFTDATJTSA-N 1 0 378.516 4.003 20 0 GIADRO COc1cccc(F)c1C(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000461877807 823734669 /nfs/dbraw/zinc/73/46/69/823734669.db2.gz WAJCNHFDZGIZKZ-IAGOWNOFSA-N 1 0 384.495 4.242 20 0 GIADRO Cc1c([C@@H](C)NC[C@@H]2CCC[N@@H+](C(C)C)C2)nnn1-c1ccc(Cl)cc1 ZINC000125877577 823734902 /nfs/dbraw/zinc/73/49/02/823734902.db2.gz AMSRPKWACPNNCD-WBVHZDCISA-N 1 0 375.948 4.000 20 0 GIADRO CC(C)NC(=O)Nc1ccccc1NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000064026306 823735337 /nfs/dbraw/zinc/73/53/37/823735337.db2.gz DYGDDRSITYKHPR-UHFFFAOYSA-N 1 0 380.492 4.065 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CCO[C@H](c2ccccc2)C1)c1ccccc1 ZINC000163673842 823735490 /nfs/dbraw/zinc/73/54/90/823735490.db2.gz XYBSECIZRKVDAG-ZRBLBEILSA-N 1 0 395.547 4.289 20 0 GIADRO COc1ccc(C[NH2+]Cc2cc(Br)c(Cl)s2)cc1OC ZINC000191690925 823735638 /nfs/dbraw/zinc/73/56/38/823735638.db2.gz WOANZLGLZZXGRQ-UHFFFAOYSA-N 1 0 376.703 4.471 20 0 GIADRO O=C(N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1cccc(C[NH+]2CCCC2)c1 ZINC000064026963 823736211 /nfs/dbraw/zinc/73/62/11/823736211.db2.gz AJKKBMSZSMMPFM-VXKWHMMOSA-N 1 0 382.479 4.072 20 0 GIADRO COc1cccc(C[C@@H]2CCCN2C(=O)c2cccc(C[NH+]3CCCC3)c2)c1 ZINC000064026929 823736361 /nfs/dbraw/zinc/73/63/61/823736361.db2.gz IWQUCBLLFGCKIS-QFIPXVFZSA-N 1 0 378.516 4.138 20 0 GIADRO CCC[NH+](CCC)CCCNC(=O)N1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000413244197 823737167 /nfs/dbraw/zinc/73/71/67/823737167.db2.gz ZCOVTMLKGYXQOY-OAQYLSRUSA-N 1 0 387.568 4.062 20 0 GIADRO Cc1cccc(N2CC[NH+](CCC(=O)N3CCC[C@H]3c3ccccc3C)CC2)c1 ZINC000461882565 823737236 /nfs/dbraw/zinc/73/72/36/823737236.db2.gz LFRPBLABGDEWAZ-DEOSSOPVSA-N 1 0 391.559 4.179 20 0 GIADRO CC1CC[NH+](Cc2ccc(NC(=O)c3cc(-c4ccccn4)no3)cc2)CC1 ZINC000461883715 823737741 /nfs/dbraw/zinc/73/77/41/823737741.db2.gz PJYDLLUXWRZKPN-UHFFFAOYSA-N 1 0 376.460 4.221 20 0 GIADRO CC[C@@H]([NH2+]Cc1ccc(OC(F)F)c(OC)c1)c1ccc2c(c1)OCCO2 ZINC000125896540 823739560 /nfs/dbraw/zinc/73/95/60/823739560.db2.gz RRJQWKBYWAPHLF-OAHLLOKOSA-N 1 0 379.403 4.309 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@@H](CN2CCOCC2)c2ccccc2)ccc1SC ZINC000163724755 823742300 /nfs/dbraw/zinc/74/23/00/823742300.db2.gz XQPQBQDSQLZFEO-XLIONFOSSA-N 1 0 386.561 4.141 20 0 GIADRO COc1cc(C[NH2+]C[C@](C)(Cc2ccccc2)[C@@H](C)O)cc(Cl)c1OC ZINC000191709904 823743102 /nfs/dbraw/zinc/74/31/02/823743102.db2.gz UIHGVYBHSHIOGV-VFNWGFHPSA-N 1 0 377.912 4.077 20 0 GIADRO CC[C@H](CNC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)CC(F)(F)F ZINC000413278443 823743721 /nfs/dbraw/zinc/74/37/21/823743721.db2.gz HVIXVHUNHKAQMO-HOTGVXAUSA-N 1 0 385.474 4.490 20 0 GIADRO COc1ccc(C[NH2+]C[C@@](C)(Cc2ccccc2)[C@H](C)O)cc1OC(F)F ZINC000191709985 823743715 /nfs/dbraw/zinc/74/37/15/823743715.db2.gz ZWBGDCKXZIZMEW-YCRPNKLZSA-N 1 0 379.447 4.016 20 0 GIADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCc2cnccc2C(C)(C)C)CC1 ZINC000413280142 823744406 /nfs/dbraw/zinc/74/44/06/823744406.db2.gz LKADRHPHGFFUHX-GOSISDBHSA-N 1 0 394.563 4.404 20 0 GIADRO CCC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(OC)c1 ZINC000163742277 823744502 /nfs/dbraw/zinc/74/45/02/823744502.db2.gz NCUDMWPZLBLBFX-APWZRJJASA-N 1 0 375.534 4.161 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1)c1ccncc1 ZINC000163771537 823747106 /nfs/dbraw/zinc/74/71/06/823747106.db2.gz HLCOTLYESHDUFG-GUYCJALGSA-N 1 0 376.298 4.302 20 0 GIADRO C[C@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1cccc(Cl)c1Cl ZINC000163773920 823747734 /nfs/dbraw/zinc/74/77/34/823747734.db2.gz BZGOCHSZIWMKPA-ZDUSSCGKSA-N 1 0 381.303 4.311 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CN[C@@H](C)c1nnn(-c2ccc(F)cc2)c1C ZINC000163779576 823747999 /nfs/dbraw/zinc/74/79/99/823747999.db2.gz RQJCMMLJKUUWBI-KRWDZBQOSA-N 1 0 395.526 4.407 20 0 GIADRO CC[NH+](CC)CCOc1ccc(NC(=O)N2CCC[C@@H]2c2cccc(C)n2)cc1 ZINC000125937244 823748560 /nfs/dbraw/zinc/74/85/60/823748560.db2.gz IGNSQWWYFBTHJG-JOCHJYFZSA-N 1 0 396.535 4.480 20 0 GIADRO COc1cc(F)c(C(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)cc1OC ZINC000163785322 823748781 /nfs/dbraw/zinc/74/87/81/823748781.db2.gz GSPMAEBNTLJCMV-UHFFFAOYSA-N 1 0 386.467 4.327 20 0 GIADRO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H]1CCO[C@H](c2ccccc2)C1 ZINC000163793827 823749368 /nfs/dbraw/zinc/74/93/68/823749368.db2.gz BFZTWIVFDJWRGJ-GOTSBHOMSA-N 1 0 395.547 4.248 20 0 GIADRO CN(C)C(=O)COc1cccc(C[NH2+][C@@H]2CCSc3ccc(Cl)cc32)c1 ZINC000163795046 823749960 /nfs/dbraw/zinc/74/99/60/823749960.db2.gz VNAHTWFRPJGYHO-GOSISDBHSA-N 1 0 390.936 4.134 20 0 GIADRO COc1cc([C@H](C)[NH2+]CCc2c[nH]c3ccc(Br)cc23)c(F)cn1 ZINC000574507587 823751743 /nfs/dbraw/zinc/75/17/43/823751743.db2.gz ZQIOXYUVVXCXKS-NSHDSACASA-N 1 0 392.272 4.366 20 0 GIADRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1cc(Cl)ncc1Cl ZINC000125958681 823753172 /nfs/dbraw/zinc/75/31/72/823753172.db2.gz IHOLTFKXGYOZHE-YOEHRIQHSA-N 1 0 376.287 4.145 20 0 GIADRO O=C(C1CC[NH+](Cc2ccc(OCc3ccc(F)cc3)cc2)CC1)N1CCCC1 ZINC000064139824 823753268 /nfs/dbraw/zinc/75/32/68/823753268.db2.gz DOACBHKFAAQGDT-UHFFFAOYSA-N 1 0 396.506 4.239 20 0 GIADRO CCCN(CC[NH+](CC)CC)C(=O)Nc1ccc2nc(-c3ccccn3)oc2c1 ZINC000461918275 823753829 /nfs/dbraw/zinc/75/38/29/823753829.db2.gz YOOXYSQFQLTFTM-UHFFFAOYSA-N 1 0 395.507 4.476 20 0 GIADRO COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000191744859 823754556 /nfs/dbraw/zinc/75/45/56/823754556.db2.gz ZBYOQRXCTRZCAV-NVXWUHKLSA-N 1 0 397.947 4.092 20 0 GIADRO O=C(NC[C@H](Cc1ccccc1)C(F)(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000574530855 823756814 /nfs/dbraw/zinc/75/68/14/823756814.db2.gz JFDMQYKHJKOECT-UXHICEINSA-N 1 0 390.449 4.046 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]Cc1ccc(N2CCCC2=O)cc1 ZINC000163894183 823758041 /nfs/dbraw/zinc/75/80/41/823758041.db2.gz RDRZKNRMKVCPJM-OAHLLOKOSA-N 1 0 392.528 4.491 20 0 GIADRO O=C(c1cc(-c2ccccc2C(F)(F)F)on1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000461927419 823760093 /nfs/dbraw/zinc/76/00/93/823760093.db2.gz IDIPJVLFKCTPQD-CQSZACIVSA-N 1 0 393.409 4.061 20 0 GIADRO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@H](C)c1cnn(C)c1 ZINC000163914901 823760519 /nfs/dbraw/zinc/76/05/19/823760519.db2.gz GQAWMYBVIXMXSN-GHMZBOCLSA-N 1 0 388.821 4.160 20 0 GIADRO C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@@H](C)c1cnn(C)c1 ZINC000163914576 823760528 /nfs/dbraw/zinc/76/05/28/823760528.db2.gz GQAWMYBVIXMXSN-QWRGUYRKSA-N 1 0 388.821 4.160 20 0 GIADRO CC(=O)c1c(C)[nH]c(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)c1C(C)C ZINC000125994446 823762638 /nfs/dbraw/zinc/76/26/38/823762638.db2.gz QARVHNGAHWBTOS-UHFFFAOYSA-N 1 0 399.560 4.450 20 0 GIADRO Fc1ccccc1-c1nc2c(s1)[C@H]([NH2+]CCCNc1ncccn1)CCC2 ZINC000163934949 823762758 /nfs/dbraw/zinc/76/27/58/823762758.db2.gz YXAAOOAGEXUPHT-MRXNPFEDSA-N 1 0 383.496 4.208 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)[C@](C)(OC)C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000461939493 823766130 /nfs/dbraw/zinc/76/61/30/823766130.db2.gz XHDMVOQEQIBDNF-PKOBYXMFSA-N 1 0 386.458 4.020 20 0 GIADRO CCCN(CC)c1ccc(C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)cc1 ZINC000126023080 823768982 /nfs/dbraw/zinc/76/89/82/823768982.db2.gz UGXYSMQAUWURHW-UHFFFAOYSA-N 1 0 396.535 4.065 20 0 GIADRO Cc1cc(NC(=O)N2CC(C)(C)C[C@H]2c2ccccc2)n(C2CC[NH+](C)CC2)n1 ZINC000574567852 823768959 /nfs/dbraw/zinc/76/89/59/823768959.db2.gz JTJCPZULBYBDNZ-FQEVSTJZSA-N 1 0 395.551 4.463 20 0 GIADRO O=C(C[C@@H]1CCC[N@H+](C[C@@H]2CCCCC2(F)F)C1)NCc1ccc(F)cc1 ZINC000574570867 823769316 /nfs/dbraw/zinc/76/93/16/823769316.db2.gz UAQSUQHFXPTAGD-ROUUACIJSA-N 1 0 382.470 4.370 20 0 GIADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000413412787 823771897 /nfs/dbraw/zinc/77/18/97/823771897.db2.gz FRSFMJWJJGLOAI-AKFKNWHVSA-N 1 0 377.532 4.088 20 0 GIADRO C[C@H]([NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000126040823 823772858 /nfs/dbraw/zinc/77/28/58/823772858.db2.gz STGAQZJQZYNFEA-QRTARXTBSA-N 1 0 384.442 4.116 20 0 GIADRO Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000574591496 823774060 /nfs/dbraw/zinc/77/40/60/823774060.db2.gz XMDMIRJXAGLQFN-QHCPKHFHSA-N 1 0 396.575 4.291 20 0 GIADRO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)c1 ZINC000191806046 823775208 /nfs/dbraw/zinc/77/52/08/823775208.db2.gz NWLQJHYJIACZLN-DOTOQJQBSA-N 1 0 391.334 4.470 20 0 GIADRO CN(C(=O)c1ccccc1NCc1ccccc1Cl)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000413427047 823775746 /nfs/dbraw/zinc/77/57/46/823775746.db2.gz LOOWPGZOGGRTRM-SFHVURJKSA-N 1 0 383.923 4.261 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)NNc2ccc(Cl)cc2Cl)c1 ZINC000064229657 823775610 /nfs/dbraw/zinc/77/56/10/823775610.db2.gz SFGIKKKJDQQJIM-UHFFFAOYSA-N 1 0 381.307 4.271 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)N(C)Cc2ccccc2C(F)(F)F)c1 ZINC000064229642 823775623 /nfs/dbraw/zinc/77/56/23/823775623.db2.gz DXZARNJBPQZNTO-UHFFFAOYSA-N 1 0 393.453 4.499 20 0 GIADRO CC[N@H+](C)Cc1cccc(CNC(=O)N(Cc2ccccc2OC)C2CC2)c1 ZINC000064229460 823775786 /nfs/dbraw/zinc/77/57/86/823775786.db2.gz ZPTXBQOPWIHEPU-UHFFFAOYSA-N 1 0 381.520 4.021 20 0 GIADRO Cc1cc([C@](C)(O)C[NH2+][C@H](C)CC(=O)Nc2ccccc2C(F)(F)F)c(C)o1 ZINC000164098172 823777280 /nfs/dbraw/zinc/77/72/80/823777280.db2.gz PQMPVCHBGBSOKC-CWTRNNRKSA-N 1 0 398.425 4.130 20 0 GIADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cn(Cc2ccccc2)c2ccccc12 ZINC000126062269 823777997 /nfs/dbraw/zinc/77/79/97/823777997.db2.gz ISFCVBURRFCTJR-AVRDEDQJSA-N 1 0 375.516 4.102 20 0 GIADRO CCCN(CC[NH+](CC)CC)C(=O)Nc1ccc(N(C)C)cc1C(F)(F)F ZINC000461975191 823778503 /nfs/dbraw/zinc/77/85/03/823778503.db2.gz YYUAYRZISIOPMT-UHFFFAOYSA-N 1 0 388.478 4.357 20 0 GIADRO COc1cc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)cc(Cl)c1OC ZINC000574606482 823778787 /nfs/dbraw/zinc/77/87/87/823778787.db2.gz KIYRIOLQRSZDJN-HBFSDRIKSA-N 1 0 387.907 4.362 20 0 GIADRO Cc1cc([C@](C)(O)C[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)c(C)o1 ZINC000164135198 823780612 /nfs/dbraw/zinc/78/06/12/823780612.db2.gz SXXAKIPFBNXPDU-OAQYLSRUSA-N 1 0 376.928 4.012 20 0 GIADRO COc1ccc(C[C@@](C)(O)C[NH2+]C2c3ccccc3-c3ccccc32)cc1OC ZINC000574610750 823780613 /nfs/dbraw/zinc/78/06/13/823780613.db2.gz CHQCTGJAOCUNLN-RUZDIDTESA-N 1 0 389.495 4.357 20 0 GIADRO CN(Cc1cccc(OC(F)(F)F)c1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000164134528 823780789 /nfs/dbraw/zinc/78/07/89/823780789.db2.gz YWEHZILRYJWLBN-UHFFFAOYSA-N 1 0 387.446 4.036 20 0 GIADRO CC(C)CN(CC[NH+](C)C)C(=O)NCc1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC000064267709 823783222 /nfs/dbraw/zinc/78/32/22/823783222.db2.gz ATBNRBJXELNGOI-UHFFFAOYSA-N 1 0 395.547 4.018 20 0 GIADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000164173575 823783745 /nfs/dbraw/zinc/78/37/45/823783745.db2.gz GMAGNKPWXZNBGS-URVUXULASA-N 1 0 387.568 4.108 20 0 GIADRO [NH3+]C[C@@H](NC(=O)NC[C@H]1CC[C@@H](c2ccccc2)O1)c1ccc2ccccc2c1 ZINC000574622882 823784334 /nfs/dbraw/zinc/78/43/34/823784334.db2.gz DZCVHWOCOBFKOD-ZLNRFVROSA-N 1 0 389.499 4.059 20 0 GIADRO [NH3+]C[C@H](NC(=O)NC[C@H]1CC[C@@H](c2ccccc2)O1)c1ccc2ccccc2c1 ZINC000574622881 823784372 /nfs/dbraw/zinc/78/43/72/823784372.db2.gz DZCVHWOCOBFKOD-VJBWXMMDSA-N 1 0 389.499 4.059 20 0 GIADRO O[C@@H](C[NH2+]C[C@@H]1CCOC2(CCC2)C1)COc1ccc(Oc2ccccc2)cc1 ZINC000574631240 823786191 /nfs/dbraw/zinc/78/61/91/823786191.db2.gz IDHXTYGNEXRXEY-UXHICEINSA-N 1 0 397.515 4.158 20 0 GIADRO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CCc2c1cccc2F ZINC000461991387 823786532 /nfs/dbraw/zinc/78/65/32/823786532.db2.gz HUGFOTIVMZIWRF-YQQQUEKLSA-N 1 0 379.479 4.093 20 0 GIADRO COc1ccc(Cc2nc(C)c([C@@H](C)[NH2+]CC3(O)CCCC3)s2)cc1OC ZINC000164218225 823787005 /nfs/dbraw/zinc/78/70/05/823787005.db2.gz BJQBRKHBYCLUCP-CQSZACIVSA-N 1 0 390.549 4.015 20 0 GIADRO CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000413504262 823788618 /nfs/dbraw/zinc/78/86/18/823788618.db2.gz NKCDOUATWYUCRF-BACDZXNISA-N 1 0 389.506 4.306 20 0 GIADRO CCS(=O)(=O)c1ccc(NCc2ccccc2C[N@H+](C)Cc2ccco2)cc1 ZINC000191830720 823788707 /nfs/dbraw/zinc/78/87/07/823788707.db2.gz YMUNDAVXFIFIBF-UHFFFAOYSA-N 1 0 398.528 4.317 20 0 GIADRO CCC[NH+]1CCC(N(C)C(=O)Cc2csc(-c3ccccc3Cl)n2)CC1 ZINC000064309989 823788933 /nfs/dbraw/zinc/78/89/33/823788933.db2.gz FCSKMFDQVNXGTF-UHFFFAOYSA-N 1 0 391.968 4.339 20 0 GIADRO C[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1)c1cnc2ccsc2c1 ZINC000191831528 823789405 /nfs/dbraw/zinc/78/94/05/823789405.db2.gz AIPSZPHHYKPHHR-PXNSSMCTSA-N 1 0 381.545 4.238 20 0 GIADRO CC[C@H](NC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccccc1 ZINC000413512194 823789723 /nfs/dbraw/zinc/78/97/23/823789723.db2.gz XGDNXFWHAZCDQN-ABHNRTSZSA-N 1 0 383.458 4.242 20 0 GIADRO C[C@H]1CCC[C@H](C)C1[NH2+]Cc1cccnc1Oc1cccc(S(C)(=O)=O)c1 ZINC000164247907 823789906 /nfs/dbraw/zinc/78/99/06/823789906.db2.gz GBEACNPUSPQQAU-HOTGVXAUSA-N 1 0 388.533 4.192 20 0 GIADRO CC[NH+](CC)CCSCC(=O)NC[C@@H](C)c1c(Cl)cccc1Cl ZINC000462001009 823790425 /nfs/dbraw/zinc/79/04/25/823790425.db2.gz RMAYTKLWELTDHI-CYBMUJFWSA-N 1 0 377.381 4.288 20 0 GIADRO CSCC[C@@H]([NH2+][C@H](C)c1ccc(-n2ccnc2)cc1)c1nnc2ccccn21 ZINC000164281401 823792619 /nfs/dbraw/zinc/79/26/19/823792619.db2.gz CKMUNOZSSCMNJM-VQIMIIECSA-N 1 0 392.532 4.060 20 0 GIADRO CSCC[C@H]([NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1)c1nnc2ccccn21 ZINC000164281052 823792878 /nfs/dbraw/zinc/79/28/78/823792878.db2.gz CKMUNOZSSCMNJM-LPHOPBHVSA-N 1 0 392.532 4.060 20 0 GIADRO CCO[C@@H](CC)C(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000574661768 823793948 /nfs/dbraw/zinc/79/39/48/823793948.db2.gz SQVKUMCKMQGKDS-FPVZDTGUSA-N 1 0 378.944 4.185 20 0 GIADRO CC[C@@H](C)[NH2+][C@H](CNC(=O)N(C)Cc1ccc(OC)c(Cl)c1)c1ccco1 ZINC000413537521 823794421 /nfs/dbraw/zinc/79/44/21/823794421.db2.gz WTRHLJUIQDLXBG-RHSMWYFYSA-N 1 0 393.915 4.212 20 0 GIADRO COc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H](CCSC)c1nnc2ccccn21 ZINC000164298922 823794388 /nfs/dbraw/zinc/79/43/88/823794388.db2.gz JODRGPOIILVZQE-MOPGFXCFSA-N 1 0 382.533 4.199 20 0 GIADRO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCc2nccn2CCc2ccccc2)CC1 ZINC000164305392 823794803 /nfs/dbraw/zinc/79/48/03/823794803.db2.gz LSOVZJVZOKEIAQ-NZQKXSOJSA-N 1 0 380.580 4.259 20 0 GIADRO Cc1nc(C(F)(F)F)sc1C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000462017059 823795730 /nfs/dbraw/zinc/79/57/30/823795730.db2.gz TYLAHUXVISNQEG-LLVKDONJSA-N 1 0 385.455 4.330 20 0 GIADRO C[C@H](CNC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000413556662 823796828 /nfs/dbraw/zinc/79/68/28/823796828.db2.gz SYSRYZMUMVLBNZ-WMZOPIPTSA-N 1 0 385.474 4.176 20 0 GIADRO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1 ZINC000164354763 823797648 /nfs/dbraw/zinc/79/76/48/823797648.db2.gz NSRKEROJNNXGAZ-VQIMIIECSA-N 1 0 399.514 4.047 20 0 GIADRO CO[C@@H](C[NH2+]Cc1cn2ccc(Br)cc2n1)c1ccc(Cl)cc1 ZINC000574679452 823798514 /nfs/dbraw/zinc/79/85/14/823798514.db2.gz OTGNRGMBRUTYCB-INIZCTEOSA-N 1 0 394.700 4.228 20 0 GIADRO CCN(Cc1occc1C)C(=O)NC[C@H](c1ccc(SC)cc1)[NH+](C)C ZINC000413573446 823798762 /nfs/dbraw/zinc/79/87/62/823798762.db2.gz SFNGUIAIWPMIRG-GOSISDBHSA-N 1 0 375.538 4.144 20 0 GIADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C[C@H](C)c2ccc(F)c(Br)c2)C1 ZINC000462025233 823799792 /nfs/dbraw/zinc/79/97/92/823799792.db2.gz HJAVJXVCADQUIA-LSDHHAIUSA-N 1 0 399.348 4.318 20 0 GIADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C[C@@H](C)c2ccc(F)c(Br)c2)C1 ZINC000462025230 823799964 /nfs/dbraw/zinc/79/99/64/823799964.db2.gz HJAVJXVCADQUIA-CABCVRRESA-N 1 0 399.348 4.318 20 0 GIADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1sc(C(F)(F)F)nc1C ZINC000462026386 823800416 /nfs/dbraw/zinc/80/04/16/823800416.db2.gz MUJCMWHUSPURNA-UHFFFAOYSA-N 1 0 385.455 4.194 20 0 GIADRO CC[NH+](CC)Cc1cccc(NC(=O)c2c[nH]nc2-c2ccc(OC)cc2)c1 ZINC000462028841 823802061 /nfs/dbraw/zinc/80/20/61/823802061.db2.gz GNWAQOLMKZGKRA-UHFFFAOYSA-N 1 0 378.476 4.179 20 0 GIADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3ccccc3COc3ccccc3)CC[C@@H]21 ZINC000164432735 823802716 /nfs/dbraw/zinc/80/27/16/823802716.db2.gz LBMGBHICCAPHQY-GCJKJVERSA-N 1 0 379.504 4.214 20 0 GIADRO NC(=O)c1ccc(-c2nc(C[NH2+][C@@H]3CCC[C@H]3Cc3ccccc3)cs2)cc1 ZINC000191890428 823805119 /nfs/dbraw/zinc/80/51/19/823805119.db2.gz KRACADNAEMDXTQ-PZJWPPBQSA-N 1 0 391.540 4.410 20 0 GIADRO CC(C)[N@H+](C)CC1CCN(C(=O)c2ccccc2C(=O)c2ccc(F)cc2)CC1 ZINC000064381698 823805670 /nfs/dbraw/zinc/80/56/70/823805670.db2.gz XJFOPEFGBCRNLP-UHFFFAOYSA-N 1 0 396.506 4.249 20 0 GIADRO O=C(CC[NH+]1CCN(c2ccccc2)CC1)Nc1ccccc1Cc1ccccc1 ZINC000462038907 823807064 /nfs/dbraw/zinc/80/70/64/823807064.db2.gz HBONKMIUEFNBPK-UHFFFAOYSA-N 1 0 399.538 4.428 20 0 GIADRO COc1cccc2c1OC[C@@H]([NH2+][C@@H](C)c1sc(-c3cccnc3)nc1C)C2 ZINC000164547544 823808232 /nfs/dbraw/zinc/80/82/32/823808232.db2.gz FEUKJPWEYFJZMV-GUYCJALGSA-N 1 0 381.501 4.176 20 0 GIADRO CCCn1ccnc1CCCN(C)C(=O)Nc1ccccc1OCC(F)F ZINC000191916265 823811053 /nfs/dbraw/zinc/81/10/53/823811053.db2.gz SSDBKFRFSYBSMO-UHFFFAOYSA-N 1 0 380.439 4.034 20 0 GIADRO C[C@H](NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1)c1cccc2ccccc21 ZINC000462050936 823812427 /nfs/dbraw/zinc/81/24/27/823812427.db2.gz SJYPPFSBHKOYPK-IBGZPJMESA-N 1 0 387.527 4.078 20 0 GIADRO C[NH+](C)CC1CCN(C(=O)N[C@@H](c2c(Cl)cccc2Cl)C2CC2)CC1 ZINC000462054648 823814211 /nfs/dbraw/zinc/81/42/11/823814211.db2.gz WDFOYIMZLPBRTG-GOSISDBHSA-N 1 0 384.351 4.428 20 0 GIADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](c2c(Cl)cccc2Cl)C2CC2)C1 ZINC000462055232 823814491 /nfs/dbraw/zinc/81/44/91/823814491.db2.gz PVQJOBHWRTZOOT-SCLBCKFNSA-N 1 0 384.351 4.428 20 0 GIADRO CSc1cccc(C)c1NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000191937171 823816523 /nfs/dbraw/zinc/81/65/23/823816523.db2.gz AUBSMPIOSOOAKZ-LJQANCHMSA-N 1 0 399.560 4.130 20 0 GIADRO CC(C)Cc1ccc(C(=O)C2CC[NH+](C[C@@H]3CC4(CCC4)C(=O)O3)CC2)cc1 ZINC000191937525 823816610 /nfs/dbraw/zinc/81/66/10/823816610.db2.gz DLVUEMUMECDYJA-NRFANRHFSA-N 1 0 383.532 4.266 20 0 GIADRO C[NH+](C)CCN(Cc1cccs1)C(=O)N[C@@H]1CCc2sc(Cl)cc21 ZINC000462063910 823817854 /nfs/dbraw/zinc/81/78/54/823817854.db2.gz ZRQUQIRYQUZSTQ-CQSZACIVSA-N 1 0 383.970 4.224 20 0 GIADRO CO[C@H]1C[C@H]2C[C@H]([NH2+]Cc3ccc(NC(=O)c4ccc(F)cc4)cc3)C[C@H]2C1 ZINC000574749385 823818051 /nfs/dbraw/zinc/81/80/51/823818051.db2.gz WZSRNSHCWYPRHE-TVACAODXSA-N 1 0 382.479 4.371 20 0 GIADRO CC1CC[NH+](C2CCC(NC(=O)Nc3cnn(-c4ccccc4)c3)CC2)CC1 ZINC000126240837 823818915 /nfs/dbraw/zinc/81/89/15/823818915.db2.gz FJUIOYXFSHECJY-UHFFFAOYSA-N 1 0 381.524 4.037 20 0 GIADRO CC(C)(C)c1ccncc1CNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000413693654 823819132 /nfs/dbraw/zinc/81/91/32/823819132.db2.gz LXBXXWSIXBLPOC-LJQANCHMSA-N 1 0 386.584 4.177 20 0 GIADRO CN(CC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1)c1ccccc1 ZINC000064458352 823823122 /nfs/dbraw/zinc/82/31/22/823823122.db2.gz JFKIUYPEWUMGJH-UHFFFAOYSA-N 1 0 387.527 4.168 20 0 GIADRO Cc1noc(Cl)c1CCC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000064458051 823823162 /nfs/dbraw/zinc/82/31/62/823823162.db2.gz NUALLZGLIAFBGV-UHFFFAOYSA-N 1 0 397.906 4.067 20 0 GIADRO C[C@@H]1CN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C[C@@H](c2ccsc2)O1 ZINC000164861251 823823229 /nfs/dbraw/zinc/82/32/29/823823229.db2.gz FUUCECHGEJGREP-NQIIRXRSSA-N 1 0 398.572 4.339 20 0 GIADRO FC(F)(F)c1ccc(-c2nc(CN3CCC[C@H]([NH+]4CCCC4)C3)co2)cc1 ZINC000164855380 823823248 /nfs/dbraw/zinc/82/32/48/823823248.db2.gz FRTZQUBHINTYMI-SFHVURJKSA-N 1 0 379.426 4.421 20 0 GIADRO CC(C)c1scnc1NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000574790614 823827018 /nfs/dbraw/zinc/82/70/18/823827018.db2.gz IATXFURJPFPOFY-UHFFFAOYSA-N 1 0 382.480 4.140 20 0 GIADRO C[C@H]([NH2+]C[C@H](CO)Cc1ccccc1Br)c1nccc2ccccc21 ZINC000574795285 823828909 /nfs/dbraw/zinc/82/89/09/823828909.db2.gz NLYAMWINHUIJQR-JKSUJKDBSA-N 1 0 399.332 4.499 20 0 GIADRO CC[C@@H](CNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)CC(F)(F)F ZINC000413740383 823829665 /nfs/dbraw/zinc/82/96/65/823829665.db2.gz NJLLRALLOSHJDI-MRXNPFEDSA-N 1 0 377.495 4.263 20 0 GIADRO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000165003688 823829577 /nfs/dbraw/zinc/82/95/77/823829577.db2.gz SLLABPTXHMBKDE-KRWDZBQOSA-N 1 0 378.472 4.377 20 0 GIADRO Cn1c2ccccc2nc1CN(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000574797444 823829753 /nfs/dbraw/zinc/82/97/53/823829753.db2.gz ZNHJVHJGMACJRV-UHFFFAOYSA-N 1 0 390.453 4.156 20 0 GIADRO CCOc1cccc(CNC(=O)C[NH2+][C@@H](C)c2ccc(C(F)(F)F)cc2)c1 ZINC000574798281 823829772 /nfs/dbraw/zinc/82/97/72/823829772.db2.gz GUXLJBIGHNAIOZ-AWEZNQCLSA-N 1 0 380.410 4.071 20 0 GIADRO C[C@@H](CNC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)CC(F)(F)F ZINC000413748141 823832204 /nfs/dbraw/zinc/83/22/04/823832204.db2.gz MTBOCBAQZNPEQH-XLIONFOSSA-N 1 0 397.485 4.273 20 0 GIADRO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)N1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000574806834 823832602 /nfs/dbraw/zinc/83/26/02/823832602.db2.gz WVQHMPVFYPBAMG-DHIUTWEWSA-N 1 0 399.579 4.163 20 0 GIADRO CO[C@H](C)c1nc(C[NH2+][C@H]2CCc3cc(Br)ccc3C2)cs1 ZINC000462115027 823832961 /nfs/dbraw/zinc/83/29/61/823832961.db2.gz BLRNGADUJYFNKK-ABAIWWIYSA-N 1 0 381.339 4.260 20 0 GIADRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3cccc(Br)c3F)C2)CC1 ZINC000192001558 823833348 /nfs/dbraw/zinc/83/33/48/823833348.db2.gz NYWCPWIQWZCLEI-HNNXBMFYSA-N 1 0 397.332 4.172 20 0 GIADRO CCC[C@@H](CCc1ccccc1)[NH2+][C@@H](Cc1c[nH]c2ccccc12)C(=O)NC ZINC000462116531 823833457 /nfs/dbraw/zinc/83/34/57/823833457.db2.gz INBMUGOWOGJXFC-REWPJTCUSA-N 1 0 377.532 4.216 20 0 GIADRO C[C@@H](CNC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1)CC(F)(F)F ZINC000413751542 823833551 /nfs/dbraw/zinc/83/35/51/823833551.db2.gz UZCSCCOIHUMQMK-CYBMUJFWSA-N 1 0 379.854 4.002 20 0 GIADRO COc1cc(C)ccc1Oc1ccc(NC(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)cn1 ZINC000165086956 823833831 /nfs/dbraw/zinc/83/38/31/823833831.db2.gz DNUHDDRIDIZWPT-IRXDYDNUSA-N 1 0 383.492 4.155 20 0 GIADRO C[C@H](CNC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)CC(F)(F)F ZINC000413754875 823834428 /nfs/dbraw/zinc/83/44/28/823834428.db2.gz BHXFOIAMPXNOGM-KRWDZBQOSA-N 1 0 397.485 4.273 20 0 GIADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](C)CC(F)(F)F ZINC000413753014 823834630 /nfs/dbraw/zinc/83/46/30/823834630.db2.gz XDXWQVKMHQWWRB-WMZOPIPTSA-N 1 0 385.474 4.129 20 0 GIADRO CC(C)(C)c1ncc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)s1 ZINC000064521003 823834715 /nfs/dbraw/zinc/83/47/15/823834715.db2.gz GVWSIUNESNQKRP-AWEZNQCLSA-N 1 0 377.579 4.144 20 0 GIADRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000064521299 823835081 /nfs/dbraw/zinc/83/50/81/823835081.db2.gz PCPZPUVHBUKWLN-UAGQMJEPSA-N 1 0 388.499 4.445 20 0 GIADRO O=C(CCn1ccc2ccccc21)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000064521969 823835538 /nfs/dbraw/zinc/83/55/38/823835538.db2.gz KUCHGVIVLFGTNI-SFHVURJKSA-N 1 0 381.545 4.121 20 0 GIADRO C[C@@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)[C@H](C)c1nc2ccccc2s1 ZINC000165129123 823835537 /nfs/dbraw/zinc/83/55/37/823835537.db2.gz OWPCIYAUQOOYKR-JKSUJKDBSA-N 1 0 381.545 4.322 20 0 GIADRO CC(C)c1ccc(OCC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000064522019 823835628 /nfs/dbraw/zinc/83/56/28/823835628.db2.gz DBUOMZVCIHGLEF-SFHVURJKSA-N 1 0 386.561 4.279 20 0 GIADRO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CCc1cccc(C(=O)N(C)C)c1 ZINC000165136904 823835711 /nfs/dbraw/zinc/83/57/11/823835711.db2.gz VWOJJVJLSCICOT-OAHLLOKOSA-N 1 0 394.544 4.109 20 0 GIADRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(Br)s1 ZINC000064522068 823835923 /nfs/dbraw/zinc/83/59/23/823835923.db2.gz SOOMUKYKEUZNBJ-LBPRGKRZSA-N 1 0 399.379 4.214 20 0 GIADRO Cc1cc(Br)c(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)cc1Cl ZINC000574832917 823836769 /nfs/dbraw/zinc/83/67/69/823836769.db2.gz WJXAJVPGEUPQPV-MLGOLLRUSA-N 1 0 385.733 4.110 20 0 GIADRO C[C@@H]1[C@H](NC(=O)Nc2ccc3oc(C4CC4)nc3c2)CC[N@@H+]1Cc1ccccc1 ZINC000574835821 823838183 /nfs/dbraw/zinc/83/81/83/823838183.db2.gz NAWJBYIPPYYKKU-DNVCBOLYSA-N 1 0 390.487 4.490 20 0 GIADRO CC(C)CNC(=O)c1cccc(C[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)cc2)c1 ZINC000192036339 823839291 /nfs/dbraw/zinc/83/92/91/823839291.db2.gz CJTOLJSGKAZNGP-SFTDATJTSA-N 1 0 386.923 4.346 20 0 GIADRO Cc1ccc(NC(=O)C[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)cc2)c(Cl)c1 ZINC000192038431 823840364 /nfs/dbraw/zinc/84/03/64/823840364.db2.gz GYNJKDCDIZWZKG-PKOBYXMFSA-N 1 0 379.287 4.360 20 0 GIADRO Cc1ccc(NC(=O)C[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)c(Cl)c1 ZINC000192038425 823840506 /nfs/dbraw/zinc/84/05/06/823840506.db2.gz GYNJKDCDIZWZKG-IEBWSBKVSA-N 1 0 379.287 4.360 20 0 GIADRO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000192040004 823840912 /nfs/dbraw/zinc/84/09/12/823840912.db2.gz WDRWOPQNHPVCPZ-YFZFPPMRSA-N 1 0 390.886 4.118 20 0 GIADRO C[C@H](NC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000192041262 823840934 /nfs/dbraw/zinc/84/09/34/823840934.db2.gz AMBCCPFUVNYMPQ-AFHBHXEDSA-N 1 0 390.886 4.165 20 0 GIADRO CC(C)CCOc1cccc(NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000064547165 823841321 /nfs/dbraw/zinc/84/13/21/823841321.db2.gz YAXSOHXTRBKXRA-UHFFFAOYSA-N 1 0 396.535 4.293 20 0 GIADRO C[C@H]([NH2+][C@@H](CO)C1CCCC1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000574846981 823841497 /nfs/dbraw/zinc/84/14/97/823841497.db2.gz DMXXZOAONYREAX-JTSKRJEESA-N 1 0 379.504 4.115 20 0 GIADRO Cc1ccsc1-c1nn(CN2CC[NH+](C3CCCCC3)CC2)c(=S)o1 ZINC000165255645 823841597 /nfs/dbraw/zinc/84/15/97/823841597.db2.gz PJYZDQPSCXSFFP-UHFFFAOYSA-N 1 0 378.567 4.150 20 0 GIADRO COc1ccc(Cl)c(NC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)c1 ZINC000064547940 823841791 /nfs/dbraw/zinc/84/17/91/823841791.db2.gz JTZPIQLHCGVWBB-UHFFFAOYSA-N 1 0 379.932 4.469 20 0 GIADRO Cc1cc(Br)ccc1NC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000165288257 823842071 /nfs/dbraw/zinc/84/20/71/823842071.db2.gz JFHUXDXHWKFBEU-UHFFFAOYSA-N 1 0 380.330 4.240 20 0 GIADRO C[C@@H](C(=O)Nc1ccc(F)cc1OCCC(F)(F)F)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000413790447 823842190 /nfs/dbraw/zinc/84/21/90/823842190.db2.gz KIZJBCPROGMGKH-XQQFMLRXSA-N 1 0 376.394 4.357 20 0 GIADRO CC[C@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1nccs1 ZINC000126332399 823842307 /nfs/dbraw/zinc/84/23/07/823842307.db2.gz KSDBIOHWVIHANR-IPQPSQTFSA-N 1 0 384.549 4.089 20 0 GIADRO Cc1nc(COc2ccc(C[NH2+][C@@H]3CCCOc4ccc(F)cc43)cc2)no1 ZINC000165313017 823843248 /nfs/dbraw/zinc/84/32/48/823843248.db2.gz FHSUVYWXQSHTFV-LJQANCHMSA-N 1 0 383.423 4.100 20 0 GIADRO Cc1ccccc1C[N@@H+]1CCCN(Cc2ccn(-c3cccc(F)c3)n2)CC1 ZINC000064556837 823843520 /nfs/dbraw/zinc/84/35/20/823843520.db2.gz MOYQVXWPDWDFBW-UHFFFAOYSA-N 1 0 378.495 4.028 20 0 GIADRO Cc1cc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)ccc1Oc1cccnc1 ZINC000165344560 823844459 /nfs/dbraw/zinc/84/44/59/823844459.db2.gz ZSCPAJXYQYTXJY-YLJYHZDGSA-N 1 0 380.492 4.130 20 0 GIADRO CC[NH+]1CCC(CCNC(=O)C[C@H](C)c2ccc(F)c(Br)c2)CC1 ZINC000462147739 823844600 /nfs/dbraw/zinc/84/46/00/823844600.db2.gz IYTAYHGILKQKNH-AWEZNQCLSA-N 1 0 399.348 4.320 20 0 GIADRO CC[NH+](CC)Cc1cccc(CNC(=O)Nc2ccc3c(c2)CCCN3C)c1 ZINC000064561549 823844818 /nfs/dbraw/zinc/84/48/18/823844818.db2.gz WUDKFVKDVMICMI-UHFFFAOYSA-N 1 0 380.536 4.233 20 0 GIADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)Nc1ccc2c(c1)CCCN2C ZINC000064561682 823844844 /nfs/dbraw/zinc/84/48/44/823844844.db2.gz REBMWNGCBSUCGP-UHFFFAOYSA-N 1 0 380.536 4.231 20 0 GIADRO CN1CCCc2cc(NC(=O)N3CCC[N@H+](CC4CCCCC4)CC3)ccc21 ZINC000064561418 823844977 /nfs/dbraw/zinc/84/49/77/823844977.db2.gz CSXKVCXYKQPAKL-UHFFFAOYSA-N 1 0 384.568 4.189 20 0 GIADRO C[C@H](CC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1ccc(F)c(Br)c1 ZINC000462151618 823845786 /nfs/dbraw/zinc/84/57/86/823845786.db2.gz YPLNGZCQIRKBSC-CHWSQXEVSA-N 1 0 387.337 4.174 20 0 GIADRO COCc1cc([C@@H](C)[NH2+]C2CCN(Cc3ccc(F)cc3)CC2)ccc1OC ZINC000165380551 823846431 /nfs/dbraw/zinc/84/64/31/823846431.db2.gz GCKJWDWMAJHDFG-QGZVFWFLSA-N 1 0 386.511 4.296 20 0 GIADRO Cc1c(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cccc1-c1ccccn1 ZINC000165393851 823846943 /nfs/dbraw/zinc/84/69/43/823846943.db2.gz MQPSLFRGYMQSHH-OAQYLSRUSA-N 1 0 375.472 4.217 20 0 GIADRO CCOc1ccc(NC(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c(C(F)(F)F)c1 ZINC000064563992 823847175 /nfs/dbraw/zinc/84/71/75/823847175.db2.gz OQFXINDPPIOMHX-KGLIPLIRSA-N 1 0 387.446 4.346 20 0 GIADRO COc1cccc(COC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)c1OC ZINC000192060814 823847568 /nfs/dbraw/zinc/84/75/68/823847568.db2.gz IYDHRGHNQNIFCU-UHFFFAOYSA-N 1 0 383.488 4.049 20 0 GIADRO C[C@H](NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000462158801 823848681 /nfs/dbraw/zinc/84/86/81/823848681.db2.gz NDHYBVADZGCKKH-MAUKXSAKSA-N 1 0 383.458 4.426 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cccc(Oc2ccncc2)c1 ZINC000462161598 823849634 /nfs/dbraw/zinc/84/96/34/823849634.db2.gz YMTVURCILCSSGP-MBSDFSHPSA-N 1 0 387.483 4.124 20 0 GIADRO C[C@H](O)[C@@H]([NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1)c1ccccc1F ZINC000574881875 823850350 /nfs/dbraw/zinc/85/03/50/823850350.db2.gz RNPUEXQNRBEPPX-LHSJRXKWSA-N 1 0 394.893 4.294 20 0 GIADRO C[C@@H]([NH2+]C[C@@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1)c1cncs1 ZINC000165472940 823850433 /nfs/dbraw/zinc/85/04/33/823850433.db2.gz MDLZPEWKIOPDNA-PBHICJAKSA-N 1 0 379.957 4.299 20 0 GIADRO C[C@@H](NC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000462166217 823850902 /nfs/dbraw/zinc/85/09/02/823850902.db2.gz FECWJOUWPRHZMS-ZBFHGGJFSA-N 1 0 383.458 4.140 20 0 GIADRO Cc1ccc(C(=O)N2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000413856058 823851470 /nfs/dbraw/zinc/85/14/70/823851470.db2.gz GFWSCUAVZWJMQC-HSZRJFAPSA-N 1 0 392.547 4.082 20 0 GIADRO CC[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1cccnc1Cl)Oc1cccc(F)c1 ZINC000165516981 823851696 /nfs/dbraw/zinc/85/16/96/823851696.db2.gz SMVJHUBOXUOXMK-ZFWWWQNUSA-N 1 0 379.863 4.038 20 0 GIADRO CN(C(=O)Nc1cccc(Cl)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000165544141 823853117 /nfs/dbraw/zinc/85/31/17/823853117.db2.gz WETWTRVWYZGRLW-PMACEKPBSA-N 1 0 392.975 4.141 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cnc(-c2ccsc2)s1 ZINC000462173000 823853610 /nfs/dbraw/zinc/85/36/10/823853610.db2.gz BHYYLTJPRGPTCT-PBHICJAKSA-N 1 0 383.542 4.122 20 0 GIADRO CC[C@H]([NH2+]CC(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1)c1ccc(C)cc1 ZINC000126385441 823853699 /nfs/dbraw/zinc/85/36/99/823853699.db2.gz UTQBVZKQZBSBPF-SFTDATJTSA-N 1 0 396.531 4.417 20 0 GIADRO Cc1ccc(C)c(NC(=O)C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000192082890 823854347 /nfs/dbraw/zinc/85/43/47/823854347.db2.gz OBMOTDYDNUEVSY-XLIONFOSSA-N 1 0 376.859 4.154 20 0 GIADRO Cc1ccc(C)c(OC2CC[NH+](CCC(=O)N3CCc4ccccc43)CC2)c1 ZINC000064631608 823854565 /nfs/dbraw/zinc/85/45/65/823854565.db2.gz AQBQUSGTOVGICY-UHFFFAOYSA-N 1 0 378.516 4.126 20 0 GIADRO COc1cc([C@@H](C)[NH2+]CCc2ccc(NC(C)=O)cc2)ccc1OC(F)F ZINC000165609849 823855470 /nfs/dbraw/zinc/85/54/70/823855470.db2.gz ZWLOISKEYUMXML-CYBMUJFWSA-N 1 0 378.419 4.148 20 0 GIADRO CCC[N@H+](CCC(=O)N1CCc2sccc2C1)[C@@H]1CCc2ccccc2C1 ZINC000064632679 823855510 /nfs/dbraw/zinc/85/55/10/823855510.db2.gz BPWZAEHCDWYEAM-OAQYLSRUSA-N 1 0 382.573 4.292 20 0 GIADRO CN(C(=O)c1cc2cc(F)ccc2[nH]1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000126394572 823856026 /nfs/dbraw/zinc/85/60/26/823856026.db2.gz PENWPIZAPVBQPE-UHFFFAOYSA-N 1 0 381.451 4.058 20 0 GIADRO COc1cccc(-c2n[nH]cc2C[NH2+]C[C@H]2CCCO[C@@H]2c2ccccc2)c1 ZINC000165636113 823856444 /nfs/dbraw/zinc/85/64/44/823856444.db2.gz CZKWGFFXWJMCKY-AUSIDOKSSA-N 1 0 377.488 4.343 20 0 GIADRO CC(=O)Nc1ccc(CC[NH2+][C@H](C)c2sc(-c3cccnc3)nc2C)cc1 ZINC000165651910 823856849 /nfs/dbraw/zinc/85/68/49/823856849.db2.gz VDCVLLPJXLGEIL-CQSZACIVSA-N 1 0 380.517 4.365 20 0 GIADRO Cc1c(Cl)cccc1NC(=O)C[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000192092153 823857787 /nfs/dbraw/zinc/85/77/87/823857787.db2.gz NVSNACNDHRNZTQ-MJGOQNOKSA-N 1 0 397.277 4.499 20 0 GIADRO COc1cc(OC)c([C@@H](C)[NH2+]CCc2ccc(NC(C)=O)cc2)cc1Cl ZINC000165675025 823857792 /nfs/dbraw/zinc/85/77/92/823857792.db2.gz AERSARBAOYTQMP-CYBMUJFWSA-N 1 0 376.884 4.209 20 0 GIADRO CC[C@H]([NH2+][C@@H](C)c1cc(F)c(F)c(F)c1)c1ccccc1OCC(=O)N(C)C ZINC000165685869 823859129 /nfs/dbraw/zinc/85/91/29/823859129.db2.gz WBOHCZQVOHOOCM-UGSOOPFHSA-N 1 0 394.437 4.373 20 0 GIADRO Cc1[nH+]c2c(Cl)cccc2c(N2CC[C@@H]3[C@@H](CCC(=O)N3C3CC3)C2)c1C ZINC000574909888 823859448 /nfs/dbraw/zinc/85/94/48/823859448.db2.gz ZBZCTMWUDBDTNU-HNAYVOBHSA-N 1 0 383.923 4.485 20 0 GIADRO CC(=O)c1cccc(OC[C@H](O)C[NH2+]C[C@@H](C)c2ccc(C(F)(F)F)cc2)c1 ZINC000574912633 823859571 /nfs/dbraw/zinc/85/95/71/823859571.db2.gz QFNDOFDQGZRSDO-AUUYWEPGSA-N 1 0 395.421 4.041 20 0 GIADRO C[C@H](CC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(F)c(Br)c1 ZINC000462186197 823860125 /nfs/dbraw/zinc/86/01/25/823860125.db2.gz FYWMBELMVXDGAP-VHDGCEQUSA-N 1 0 385.321 4.071 20 0 GIADRO CSc1ccc(NC(=O)C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000192103175 823860375 /nfs/dbraw/zinc/86/03/75/823860375.db2.gz GLAXCOQUAIAKEX-MJGOQNOKSA-N 1 0 394.899 4.259 20 0 GIADRO C[C@@H]([NH2+]C1CCN(Cc2ccccc2F)CC1)c1cccc(N2CCOC2=O)c1 ZINC000165714719 823860424 /nfs/dbraw/zinc/86/04/24/823860424.db2.gz RTBAETRDDGLKBI-QGZVFWFLSA-N 1 0 397.494 4.098 20 0 GIADRO Cc1nccnc1CC[NH2+][C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000574921745 823860778 /nfs/dbraw/zinc/86/07/78/823860778.db2.gz NDSLYJCHQKKJPP-JOCHJYFZSA-N 1 0 395.890 4.131 20 0 GIADRO Cc1ccc2c(CCC(=O)N[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C)c[nH]c2c1 ZINC000462189086 823861527 /nfs/dbraw/zinc/86/15/27/823861527.db2.gz PAZSWJMUERRTGY-FDDCHVKYSA-N 1 0 375.516 4.046 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)c(F)c1 ZINC000413895682 823861725 /nfs/dbraw/zinc/86/17/25/823861725.db2.gz AWFXEXCECGQNBE-KBPBESRZSA-N 1 0 376.394 4.073 20 0 GIADRO C[NH+](C)CCOc1ccc(NC(=O)c2ccccc2COC(C)(C)C)c(F)c1 ZINC000413899435 823862480 /nfs/dbraw/zinc/86/24/80/823862480.db2.gz ISVRKGMDLWQYGO-UHFFFAOYSA-N 1 0 388.483 4.334 20 0 GIADRO C[C@@H]1CC(CC[NH2+][C@@H]2CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)C[C@@H](C)O1 ZINC000574929443 823862656 /nfs/dbraw/zinc/86/26/56/823862656.db2.gz DYERTEMJAMLXBD-HNBVOPMISA-N 1 0 398.547 4.167 20 0 GIADRO C[C@@H]([NH2+][C@H](C)c1cccc(N2CCCC2)c1)C(=O)N(C)Cc1cccc(F)c1 ZINC000126421955 823862759 /nfs/dbraw/zinc/86/27/59/823862759.db2.gz SBDLZZIOVKJWSW-QZTJIDSGSA-N 1 0 383.511 4.124 20 0 GIADRO C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@H]2C(=O)Nc2ccc(OCC[NH+](C)C)cc2F)o1 ZINC000413900410 823862752 /nfs/dbraw/zinc/86/27/52/823862752.db2.gz KKWOVNPJDUZQCC-BSWAZPDLSA-N 1 0 386.467 4.225 20 0 GIADRO CC1(C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)CC[NH+](Cc2ccccc2)CC1 ZINC000192110810 823863473 /nfs/dbraw/zinc/86/34/73/823863473.db2.gz ZKTLZBPCTKHGDP-UHFFFAOYSA-N 1 0 389.402 4.114 20 0 GIADRO CC[C@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F)CC(F)(F)F ZINC000413909441 823864711 /nfs/dbraw/zinc/86/47/11/823864711.db2.gz MWKIPWLCFPAATC-ZDUSSCGKSA-N 1 0 395.416 4.017 20 0 GIADRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)Nc1ccc(OC(F)F)cc1 ZINC000064695278 823865915 /nfs/dbraw/zinc/86/59/15/823865915.db2.gz QDXDULOIBVEYOL-AWEZNQCLSA-N 1 0 395.475 4.383 20 0 GIADRO COc1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)cc2)ccc1S(=O)(=O)C(F)F ZINC000165910974 823865933 /nfs/dbraw/zinc/86/59/33/823865933.db2.gz PSWUFNSDFRFHRH-UONOGXRCSA-N 1 0 383.460 4.412 20 0 GIADRO Cc1ccc(S[C@@H](C)C(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000126432971 823865953 /nfs/dbraw/zinc/86/59/53/823865953.db2.gz ZHJMEOTYPGNOSY-SFHVURJKSA-N 1 0 383.561 4.246 20 0 GIADRO CC[C@@H](CNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)CC(F)(F)F ZINC000413921492 823866570 /nfs/dbraw/zinc/86/65/70/823866570.db2.gz VJGUIHATBJHGKU-MRXNPFEDSA-N 1 0 385.474 4.271 20 0 GIADRO CC[C@H](CNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)CC(F)(F)F ZINC000413920999 823866581 /nfs/dbraw/zinc/86/65/81/823866581.db2.gz USTQLMURKVGVLI-DLBZAZTESA-N 1 0 377.495 4.263 20 0 GIADRO CCOc1cc(CN2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)ccc1OC ZINC000574943592 823867077 /nfs/dbraw/zinc/86/70/77/823867077.db2.gz APHXSYTUODZASB-DEOSSOPVSA-N 1 0 380.532 4.192 20 0 GIADRO Cc1cc(NC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)ccc1N(C)C ZINC000064698313 823867212 /nfs/dbraw/zinc/86/72/12/823867212.db2.gz YUFXURLCSOSFDU-KRWDZBQOSA-N 1 0 386.565 4.156 20 0 GIADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1cc(Cl)ccc1Cl ZINC000126444657 823869289 /nfs/dbraw/zinc/86/92/89/823869289.db2.gz VPEZHEMAQSMZIC-UHFFFAOYSA-N 1 0 378.303 4.377 20 0 GIADRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1ccc2ncccc2c1 ZINC000126452571 823871150 /nfs/dbraw/zinc/87/11/50/823871150.db2.gz VEBQKPKSVIEOEG-UHFFFAOYSA-N 1 0 377.513 4.344 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c2ccccc2O1 ZINC000574959705 823871662 /nfs/dbraw/zinc/87/16/62/823871662.db2.gz PQUNNGDVXUQOGF-BZSOYRFXSA-N 1 0 399.560 4.343 20 0 GIADRO C[C@@H]([NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1)c1ccc([S@](C)=O)cc1 ZINC000166176639 823871845 /nfs/dbraw/zinc/87/18/45/823871845.db2.gz XXPJQFQXTJCSNZ-YVORESIASA-N 1 0 392.515 4.017 20 0 GIADRO Fc1ccc(CN2CCC([NH2+]C3CCN(c4ccccc4)CC3)CC2)cc1F ZINC000166175530 823871890 /nfs/dbraw/zinc/87/18/90/823871890.db2.gz OKUDQUVYCMCZMJ-UHFFFAOYSA-N 1 0 385.502 4.188 20 0 GIADRO CCc1c(NC(=O)CSCC[NH+](CC)CC)cnn1-c1cccc(Cl)c1 ZINC000192132227 823872282 /nfs/dbraw/zinc/87/22/82/823872282.db2.gz UOIYWBLYUSUZRO-UHFFFAOYSA-N 1 0 394.972 4.102 20 0 GIADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)CSCc2cccc(Cl)c2)C1 ZINC000064725790 823872487 /nfs/dbraw/zinc/87/24/87/823872487.db2.gz GVVVZTJBRJZJEU-JTDSTZFVSA-N 1 0 380.985 4.437 20 0 GIADRO C[C@H]([NH2+][C@H](CC(=O)N(C)C)c1ccccc1)c1ccc(Br)cc1 ZINC000574961780 823872946 /nfs/dbraw/zinc/87/29/46/823872946.db2.gz MEYGXJWNDOURTI-KBXCAEBGSA-N 1 0 375.310 4.319 20 0 GIADRO Cc1ccc([C@H](C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)N2CCOCC2)cc1 ZINC000166235838 823873352 /nfs/dbraw/zinc/87/33/52/823873352.db2.gz CWULIGBOGFRCAJ-GPUOULLFSA-N 1 0 394.559 4.126 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)C(=O)Nc1ccc(Cl)cc1 ZINC000192136286 823873872 /nfs/dbraw/zinc/87/38/72/823873872.db2.gz DLVIHAWQMQIUFZ-UZCIPKQKSA-N 1 0 380.822 4.065 20 0 GIADRO CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3cc(O)cc(C(F)(F)F)c3)ccc2NC1=O ZINC000574964548 823874215 /nfs/dbraw/zinc/87/42/15/823874215.db2.gz KLQSVCMKZPRWOE-PIGZYNQJSA-N 1 0 394.393 4.371 20 0 GIADRO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(C(=O)NC[C@@H]3CCCO3)c1)CCC2 ZINC000166312327 823875207 /nfs/dbraw/zinc/87/52/07/823875207.db2.gz UIDCDBSOFKTTSA-GMAHTHKFSA-N 1 0 378.516 4.071 20 0 GIADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000064735877 823875794 /nfs/dbraw/zinc/87/57/94/823875794.db2.gz LGUOCFFQHLMVLC-YRNRMSPPSA-N 1 0 386.927 4.003 20 0 GIADRO COc1cc2[nH]c(CCC[NH2+][C@@H](C)c3cccc(NC(C)=O)c3)cc2c(OC)c1 ZINC000166333273 823875837 /nfs/dbraw/zinc/87/58/37/823875837.db2.gz KIJFGUXSOFDZQR-HNNXBMFYSA-N 1 0 395.503 4.427 20 0 GIADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2cnn(-c3cccc(Cl)c3)c2)C1 ZINC000064736024 823875858 /nfs/dbraw/zinc/87/58/58/823875858.db2.gz KINOPMVIAWQGDQ-GQIGUUNPSA-N 1 0 386.927 4.003 20 0 GIADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2cccc(NC(=O)c3ccco3)c2)C1 ZINC000064735976 823875917 /nfs/dbraw/zinc/87/59/17/823875917.db2.gz UMLSJCXIAWPXMU-FUHIMQAGSA-N 1 0 395.503 4.009 20 0 GIADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000574972549 823877640 /nfs/dbraw/zinc/87/76/40/823877640.db2.gz UTLGFRAIZCWXBW-YOEHRIQHSA-N 1 0 380.517 4.007 20 0 GIADRO CCCC[C@H](N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000166428818 823877645 /nfs/dbraw/zinc/87/76/45/823877645.db2.gz RWWQVIPUJUOUPJ-WWNPGLIZSA-N 1 0 398.595 4.001 20 0 GIADRO O[C@@H](C[NH2+]Cc1ccc(OC(F)(F)F)cc1)COc1cccc2ccccc21 ZINC000574976704 823877784 /nfs/dbraw/zinc/87/77/84/823877784.db2.gz WIKUWQLSUQPEHL-KRWDZBQOSA-N 1 0 391.389 4.268 20 0 GIADRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+][C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000166460641 823878088 /nfs/dbraw/zinc/87/80/88/823878088.db2.gz VCLJEOOOUIHBQA-RDTXWAMCSA-N 1 0 399.539 4.311 20 0 GIADRO CSc1cccc(NC(=O)[C@H](C)[NH2+][C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000192143477 823878601 /nfs/dbraw/zinc/87/86/01/823878601.db2.gz RVTUGQATJJIGRM-YXKWSERDSA-N 1 0 392.471 4.134 20 0 GIADRO Cc1nc(-c2cc([C@H](C)[NH2+][C@@H]3CCCN(c4cnn(C)c4)C3)cs2)cs1 ZINC000166552236 823878895 /nfs/dbraw/zinc/87/88/95/823878895.db2.gz NCOXSXDNFKSPOK-XJKSGUPXSA-N 1 0 387.578 4.233 20 0 GIADRO Cc1sc(NC(=O)C[NH2+][C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c(C)c1C ZINC000192144811 823878993 /nfs/dbraw/zinc/87/89/93/823878993.db2.gz MUWQNCLSRPUICD-FUHWJXTLSA-N 1 0 380.460 4.010 20 0 GIADRO Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+][C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000166574857 823879553 /nfs/dbraw/zinc/87/95/53/823879553.db2.gz LVZAXMNDOMQRLR-QFBILLFUSA-N 1 0 395.576 4.095 20 0 GIADRO Cc1nc(CN2CCC(C[NH2+][C@@H](C[C@H]3CCOC3)c3ccccc3)CC2)oc1C ZINC000166581389 823879645 /nfs/dbraw/zinc/87/96/45/823879645.db2.gz QYJUWFQYJPQTID-GGAORHGYSA-N 1 0 397.563 4.261 20 0 GIADRO Cc1[nH]c(=S)sc1CC(=O)Nc1cc(C[NH+]2CCSCC2)ccc1C ZINC000126482565 823879893 /nfs/dbraw/zinc/87/98/93/823879893.db2.gz PHDGQAQWWQSIEB-UHFFFAOYSA-N 1 0 393.603 4.153 20 0 GIADRO CCOc1ccc([C@H]([NH2+]C[C@H]2CC3(CCC3)C(=O)O2)C(C)C)cc1OCC ZINC000192148935 823880533 /nfs/dbraw/zinc/88/05/33/823880533.db2.gz SSEKHARSKFXXIO-YLJYHZDGSA-N 1 0 375.509 4.257 20 0 GIADRO CCOc1ccc([C@@H]([NH2+]C[C@@H]2CC3(CCC3)C(=O)O2)C(C)C)cc1OCC ZINC000192148929 823880593 /nfs/dbraw/zinc/88/05/93/823880593.db2.gz SSEKHARSKFXXIO-PXNSSMCTSA-N 1 0 375.509 4.257 20 0 GIADRO COc1cc([C@@H](C)[NH2+]C[C@H]2CC3(CCC3)C(=O)O2)ccc1OCc1ccccc1 ZINC000192151100 823881254 /nfs/dbraw/zinc/88/12/54/823881254.db2.gz DCSAYYXCCXLQQF-YLJYHZDGSA-N 1 0 395.499 4.411 20 0 GIADRO Cc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1Oc1ccncc1 ZINC000126487613 823881269 /nfs/dbraw/zinc/88/12/69/823881269.db2.gz CAEZEXCDTJPFDK-DENIHFKCSA-N 1 0 391.515 4.271 20 0 GIADRO CCCCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CC3(CCC3)C(=O)O2)cc1OC ZINC000192151431 823881420 /nfs/dbraw/zinc/88/14/20/823881420.db2.gz LVOTYDVNYUGTTM-AEFFLSMTSA-N 1 0 375.509 4.401 20 0 GIADRO FC(F)(F)CN1CCC(CC[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000166774417 823882470 /nfs/dbraw/zinc/88/24/70/823882470.db2.gz JMPMWLUOLUEMCY-ICSRJNTNSA-N 1 0 384.486 4.408 20 0 GIADRO C[C@@H]([NH2+]C[C@@H]1CC2(CCC2)C(=O)O1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000192152870 823882464 /nfs/dbraw/zinc/88/24/64/823882464.db2.gz FCHOTTXJGNDHIP-QRWLVFNGSA-N 1 0 396.462 4.214 20 0 GIADRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3ccnc3C)nc2)cc1OCC ZINC000126494388 823883885 /nfs/dbraw/zinc/88/38/85/823883885.db2.gz HVSPHRPZPLZSFV-MRXNPFEDSA-N 1 0 380.492 4.224 20 0 GIADRO CCc1noc(CC)c1C[NH2+][C@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000166934358 823884385 /nfs/dbraw/zinc/88/43/85/823884385.db2.gz OFCIIYDOPKGSIR-GFCCVEGCSA-N 1 0 383.414 4.325 20 0 GIADRO C[C@H]([NH2+][C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1)c1cncc(Br)c1 ZINC000575003666 823884552 /nfs/dbraw/zinc/88/45/52/823884552.db2.gz UCELUAPSVVHGHD-PDSMFRHLSA-N 1 0 396.279 4.218 20 0 GIADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1ccccc1Br ZINC000462232261 823885427 /nfs/dbraw/zinc/88/54/27/823885427.db2.gz HPGDPVBNTNVHCZ-RDTXWAMCSA-N 1 0 388.309 4.091 20 0 GIADRO CC1(C(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000167088217 823885902 /nfs/dbraw/zinc/88/59/02/823885902.db2.gz DIOODFICHPWSIU-GOTSBHOMSA-N 1 0 392.543 4.325 20 0 GIADRO CCCOc1ccc(NC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)c(C)c1 ZINC000126504267 823886157 /nfs/dbraw/zinc/88/61/57/823886157.db2.gz NYNQJNZLRQUVIT-UHFFFAOYSA-N 1 0 396.535 4.488 20 0 GIADRO CSCc1cc(F)ccc1C[NH2+][C@@H](C)CC(=O)Nc1cccnc1Cl ZINC000167105562 823886431 /nfs/dbraw/zinc/88/64/31/823886431.db2.gz PIKJBCFZKNDCQO-LBPRGKRZSA-N 1 0 381.904 4.244 20 0 GIADRO CSCc1cc(F)ccc1C[NH2+][C@H](C)CC(=O)Nc1cccnc1Cl ZINC000167105665 823886573 /nfs/dbraw/zinc/88/65/73/823886573.db2.gz PIKJBCFZKNDCQO-GFCCVEGCSA-N 1 0 381.904 4.244 20 0 GIADRO CC(C)(C)C[N@H+](CCCO)Cc1coc(-c2ccc(Br)cc2)n1 ZINC000575011131 823887035 /nfs/dbraw/zinc/88/70/35/823887035.db2.gz QCCKMLBVDGAWGC-UHFFFAOYSA-N 1 0 381.314 4.335 20 0 GIADRO Cc1cc(-n2ccnc2)ccc1C[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000192168323 823889081 /nfs/dbraw/zinc/88/90/81/823889081.db2.gz GRBDGGCVLIAENO-UHFFFAOYSA-N 1 0 389.425 4.233 20 0 GIADRO O=C(NCc1ccncc1)Nc1cccc(C[NH2+][C@@H]2CCc3cc(F)ccc32)c1 ZINC000167298937 823890118 /nfs/dbraw/zinc/89/01/18/823890118.db2.gz ZXBOWAXGQQPKNO-JOCHJYFZSA-N 1 0 390.462 4.320 20 0 GIADRO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)Nc1ccc(OC(F)F)cc1F ZINC000575022196 823890587 /nfs/dbraw/zinc/89/05/87/823890587.db2.gz JDBBFNKLGCFZPW-OAHLLOKOSA-N 1 0 393.409 4.213 20 0 GIADRO CCCOc1ccc(C(C)(C)NC(=O)Nc2ccc3c(c2)C[NH2+]CCO3)cc1 ZINC000575023448 823891018 /nfs/dbraw/zinc/89/10/18/823891018.db2.gz HATKIURVUOSAGP-UHFFFAOYSA-N 1 0 383.492 4.014 20 0 GIADRO O=C(Nc1ccc2c(c1)C[NH2+]CCO2)N(CCc1ccccc1F)C1CCCC1 ZINC000575023475 823891209 /nfs/dbraw/zinc/89/12/09/823891209.db2.gz ITXXHTXYKIXRII-UHFFFAOYSA-N 1 0 397.494 4.327 20 0 GIADRO Brc1ccn2cc(C[NH2+]CCc3nc4ccccc4s3)nc2c1 ZINC000575030659 823893889 /nfs/dbraw/zinc/89/38/89/823893889.db2.gz PCEYVLSYFDAVGK-UHFFFAOYSA-N 1 0 387.306 4.039 20 0 GIADRO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2N2CCC(O)CC2)cc1F ZINC000167786249 823895047 /nfs/dbraw/zinc/89/50/47/823895047.db2.gz MIXDSSCQUKTTRD-CABCVRRESA-N 1 0 390.474 4.346 20 0 GIADRO Cc1nc2c(s1)[C@@H]([NH2+][C@H](C)c1cc(F)ccc1N1CCC(O)CC1)CCC2 ZINC000167821864 823896351 /nfs/dbraw/zinc/89/63/51/823896351.db2.gz SGAWHUDMZOZTJD-ACJLOTCBSA-N 1 0 389.540 4.280 20 0 GIADRO Cc1nc2c(s1)[C@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CCC(O)CC1)CCC2 ZINC000167821562 823896504 /nfs/dbraw/zinc/89/65/04/823896504.db2.gz SGAWHUDMZOZTJD-SCLBCKFNSA-N 1 0 389.540 4.280 20 0 GIADRO C[C@H](NC(C)(C)C[NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C)c1ccccc1 ZINC000167876702 823897476 /nfs/dbraw/zinc/89/74/76/823897476.db2.gz NZLSOABAMQLKKX-QTEQDKRBSA-N 1 0 380.580 4.011 20 0 GIADRO COc1cccc(CN(CC[NH+](C)C)C(=O)Nc2cccc(C(F)F)c2)c1 ZINC000192191850 823897567 /nfs/dbraw/zinc/89/75/67/823897567.db2.gz HXSRQVDNNMCIIR-UHFFFAOYSA-N 1 0 377.435 4.229 20 0 GIADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1ccc(OC(F)F)c(F)c1 ZINC000462251585 823898863 /nfs/dbraw/zinc/89/88/63/823898863.db2.gz BOJRVVSHHQCSIJ-SUMWQHHRSA-N 1 0 393.409 4.069 20 0 GIADRO Brc1cccc([C@@H]([NH2+]CCn2cnnc2C2CC2)c2ccccc2)c1 ZINC000414071149 823901550 /nfs/dbraw/zinc/90/15/50/823901550.db2.gz CXMQPCANKWBWPX-IBGZPJMESA-N 1 0 397.320 4.297 20 0 GIADRO C[C@@H]([NH2+]C[C@H](C)Sc1ccc(Br)cc1)c1cc2n(n1)CCC2 ZINC000414073931 823901928 /nfs/dbraw/zinc/90/19/28/823901928.db2.gz GJKYSRLCPHPHQH-QWHCGFSZSA-N 1 0 380.355 4.423 20 0 GIADRO O=C(NC1CCCCC1)N1CCC([NH2+]Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC000168320312 823901989 /nfs/dbraw/zinc/90/19/89/823901989.db2.gz PGHNGUNTLZHENF-UHFFFAOYSA-N 1 0 399.457 4.023 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1cccnc1Cl)c1cccc(N2CCCC2)c1 ZINC000168332168 823902207 /nfs/dbraw/zinc/90/22/07/823902207.db2.gz MOVGWOUJVXZGSR-JKSUJKDBSA-N 1 0 386.927 4.403 20 0 GIADRO COCCOc1ccc([C@H](C)[NH2+][C@H](C)c2cc(OC)c(OC)cc2F)cc1 ZINC000168557221 823903607 /nfs/dbraw/zinc/90/36/07/823903607.db2.gz TZTHNAQXIOFARF-LSDHHAIUSA-N 1 0 377.456 4.280 20 0 GIADRO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cccc(Cl)c1Cl ZINC000192210862 823904042 /nfs/dbraw/zinc/90/40/42/823904042.db2.gz GVISNYBBFVYMNB-MRXNPFEDSA-N 1 0 393.314 4.014 20 0 GIADRO C[C@H]([NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1)c1cc2n(n1)CCC2 ZINC000414085059 823905409 /nfs/dbraw/zinc/90/54/09/823905409.db2.gz YKLMFCUVTYMVNW-HNNXBMFYSA-N 1 0 393.453 4.247 20 0 GIADRO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1)c1cccc(O)c1 ZINC000126584262 823905501 /nfs/dbraw/zinc/90/55/01/823905501.db2.gz TYUPEADWXOSELA-QWHCGFSZSA-N 1 0 377.282 4.223 20 0 GIADRO CC(C)(C)O[C@H]1C[C@H]([NH2+]Cc2ccc(COC3CCOCC3)cc2)C1(C)C ZINC000414091534 823907096 /nfs/dbraw/zinc/90/70/96/823907096.db2.gz DOIYRVSDRBRYLC-SFTDATJTSA-N 1 0 375.553 4.454 20 0 GIADRO CC(C)(C)C[C@H]([NH2+]C[C@@]1(CCO)CCOC1)c1ccc(Br)cc1 ZINC000414093085 823907571 /nfs/dbraw/zinc/90/75/71/823907571.db2.gz LZBHDJOSUIWUTR-PKOBYXMFSA-N 1 0 384.358 4.305 20 0 GIADRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)CCCOCc1ccccc1 ZINC000064898547 823907974 /nfs/dbraw/zinc/90/79/74/823907974.db2.gz IWXXTKPDOWWZMP-GGAORHGYSA-N 1 0 378.516 4.126 20 0 GIADRO C[NH+]1CCC(Nc2ccccc2NC(=O)c2cc(C3CCCCC3)[nH]n2)CC1 ZINC000126597297 823908074 /nfs/dbraw/zinc/90/80/74/823908074.db2.gz KGMXLOFAHDPEGM-UHFFFAOYSA-N 1 0 381.524 4.216 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@H](Cc2ccc(F)cc2)C1)c1ccco1 ZINC000575094212 823910645 /nfs/dbraw/zinc/91/06/45/823910645.db2.gz UGXBJEAWVJOVBY-QUCCMNQESA-N 1 0 387.499 4.076 20 0 GIADRO CC(C)(C)OC(=O)NCCCCC[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000169327095 823910698 /nfs/dbraw/zinc/91/06/98/823910698.db2.gz RZIVHWYBTWTWME-UHFFFAOYSA-N 1 0 396.959 4.318 20 0 GIADRO C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1csc(-c2ccccc2)n1 ZINC000414105333 823910950 /nfs/dbraw/zinc/91/09/50/823910950.db2.gz GODCFBPQYHPKEY-UTKZUKDTSA-N 1 0 393.556 4.228 20 0 GIADRO CC[C@H]([NH2+]CCc1nnc2n1CCCCC2)c1ccc2cc(OC)ccc2c1 ZINC000126612582 823911333 /nfs/dbraw/zinc/91/13/33/823911333.db2.gz LQKGDYAXBVBENX-NRFANRHFSA-N 1 0 378.520 4.450 20 0 GIADRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(F)c(F)c1)c1csc(-c2ccccc2)n1 ZINC000414115586 823912737 /nfs/dbraw/zinc/91/27/37/823912737.db2.gz NEQVZFUQPNZKRC-DZGCQCFKSA-N 1 0 390.455 4.179 20 0 GIADRO COC(=O)c1cnc([C@@H](C)[NH2+][C@@H](COc2ccccc2F)C(C)(C)C)s1 ZINC000414126898 823915314 /nfs/dbraw/zinc/91/53/14/823915314.db2.gz RPQWTAJCSRMRSK-WBMJQRKESA-N 1 0 380.485 4.213 20 0 GIADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H](C)c1cccc(O)c1 ZINC000126631448 823915400 /nfs/dbraw/zinc/91/54/00/823915400.db2.gz SKJNNYVZCYISKN-STQMWFEESA-N 1 0 377.282 4.223 20 0 GIADRO CC(C)(C)S(=O)(=O)N1CCC([NH2+][C@@H]2CC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000414128311 823915503 /nfs/dbraw/zinc/91/55/03/823915503.db2.gz GWXHQXRZHUWTSR-QFBILLFUSA-N 1 0 399.000 4.158 20 0 GIADRO CC[C@@H]([NH2+]Cc1cccnc1Oc1cccc(S(C)(=O)=O)c1)[C@H]1CC1(C)C ZINC000414129144 823915889 /nfs/dbraw/zinc/91/58/89/823915889.db2.gz URQPNNNEYNZKNP-RTBURBONSA-N 1 0 388.533 4.192 20 0 GIADRO NC(=O)c1ccc(-c2nc(C[N@@H+]3CCC[C@H](c4ccccc4)C3)cs2)cc1 ZINC000575116173 823916296 /nfs/dbraw/zinc/91/62/96/823916296.db2.gz UKSCPVZJLYVUAE-IBGZPJMESA-N 1 0 377.513 4.289 20 0 GIADRO CS(=O)(=O)c1cccc([C@H]([NH2+][C@@H]2CCC[C@@H](F)C2)c2ccc(F)cc2F)c1 ZINC000575123133 823917284 /nfs/dbraw/zinc/91/72/84/823917284.db2.gz XNOIMBRWMNAAIR-KKVAFCGZSA-N 1 0 397.462 4.328 20 0 GIADRO Cc1cccc(C(=O)N2CCC[N@H+](CCOc3cccc4ccccc43)CC2)c1 ZINC000064951712 823917788 /nfs/dbraw/zinc/91/77/88/823917788.db2.gz KHAVTYDUYACEGT-UHFFFAOYSA-N 1 0 388.511 4.375 20 0 GIADRO Fc1cc(C[NH2+][C@@H]2CC[C@H](c3cccc(Cl)c3)C2)cnc1N1CCOCC1 ZINC000414149868 823918860 /nfs/dbraw/zinc/91/88/60/823918860.db2.gz XVGSMSANTDRTBI-PKOBYXMFSA-N 1 0 389.902 4.137 20 0 GIADRO COCCOC1(C[NH2+][C@@H]2CCC[C@H](c3ccc(Cl)cc3)C2)CCOCC1 ZINC000414154585 823919510 /nfs/dbraw/zinc/91/95/10/823919510.db2.gz ZRKKORNTGUZCDR-AZUAARDMSA-N 1 0 381.944 4.168 20 0 GIADRO CS(=O)(=O)c1ccc(F)c(C[NH2+][C@H]2CC[C@@H](c3cccc(Cl)c3)C2)c1 ZINC000414160026 823920463 /nfs/dbraw/zinc/92/04/63/823920463.db2.gz ZBNQEUIIAVFXSW-PBHICJAKSA-N 1 0 381.900 4.309 20 0 GIADRO C[C@@H](Cc1cccc(Cl)c1)C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000126656882 823920751 /nfs/dbraw/zinc/92/07/51/823920751.db2.gz WYZVFMREBKLNFR-KRWDZBQOSA-N 1 0 385.939 4.289 20 0 GIADRO CO[C@@H]([C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F)C1CC1 ZINC000414163228 823921257 /nfs/dbraw/zinc/92/12/57/823921257.db2.gz FSFFEWOZBNJCRJ-FTGAXOIBSA-N 1 0 378.822 4.089 20 0 GIADRO Brc1ccc(C2([NH2+]CCCc3ccncc3)CCOCC2)cc1 ZINC000462313434 823921363 /nfs/dbraw/zinc/92/13/63/823921363.db2.gz FENPBMRAPNABSY-UHFFFAOYSA-N 1 0 375.310 4.072 20 0 GIADRO C[C@H](NCc1ccncc1OCCC[NH+](C)C)c1csc(-c2ccccc2)n1 ZINC000414165567 823921786 /nfs/dbraw/zinc/92/17/86/823921786.db2.gz PUXLNWLLCSMYNH-KRWDZBQOSA-N 1 0 396.560 4.386 20 0 GIADRO CC(C)(C)C[C@H]([NH2+]CCC1(O)CCOCC1)c1ccc(Br)cc1 ZINC000414170694 823922268 /nfs/dbraw/zinc/92/22/68/823922268.db2.gz WMTIAWMQVURRBA-KRWDZBQOSA-N 1 0 384.358 4.448 20 0 GIADRO Cc1ccc([C@H](CNC(=O)c2ccc(-n3cc[nH]c3=S)cc2)[NH+]2CCCC2)o1 ZINC000170633730 823922933 /nfs/dbraw/zinc/92/29/33/823922933.db2.gz FMFRUORBEARXBN-SFHVURJKSA-N 1 0 396.516 4.003 20 0 GIADRO CC[C@@H]([NH2+]C[C@H](CO)Cc1cc(F)cc(Br)c1)c1ccc(F)cn1 ZINC000414179387 823923404 /nfs/dbraw/zinc/92/34/04/823923404.db2.gz KQTXTKZJNSSTIZ-CXAGYDPISA-N 1 0 399.279 4.014 20 0 GIADRO Clc1ccc([C@@H]([NH2+]CC2(N3CCOCC3)CCOCC2)C2CCCC2)cc1 ZINC000414180766 823923626 /nfs/dbraw/zinc/92/36/26/823923626.db2.gz LPRZCTBSLSNXQM-NRFANRHFSA-N 1 0 392.971 4.042 20 0 GIADRO c1c(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(-c2ccccc2)nn1Cc1ccccc1 ZINC000126673441 823924325 /nfs/dbraw/zinc/92/43/25/823924325.db2.gz KOJKTJMLALRARC-DNQXCXABSA-N 1 0 386.543 4.315 20 0 GIADRO CC(C)[C@@H](C)NC(=O)C1CC[NH+](Cc2ccc(OCc3ccncc3)cc2)CC1 ZINC000170645285 823924692 /nfs/dbraw/zinc/92/46/92/823924692.db2.gz MKROWLPJWJTKDA-LJQANCHMSA-N 1 0 395.547 4.033 20 0 GIADRO CC(C)[C@H](C)NC(=O)C1CC[NH+](Cc2ccc(OCc3ccncc3)cc2)CC1 ZINC000170645286 823924799 /nfs/dbraw/zinc/92/47/99/823924799.db2.gz MKROWLPJWJTKDA-IBGZPJMESA-N 1 0 395.547 4.033 20 0 GIADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1cccnc1)c1ccc(C(F)(F)F)cc1 ZINC000065014923 823924972 /nfs/dbraw/zinc/92/49/72/823924972.db2.gz CCRCNVGONDYPKA-KRWDZBQOSA-N 1 0 380.414 4.305 20 0 GIADRO C[C@H]([NH2+]C[C@@H]1CNC(=O)C1)c1ccc(Oc2ccc(Br)cc2)cc1 ZINC000414191934 823925437 /nfs/dbraw/zinc/92/54/37/823925437.db2.gz LPESVQDOBABTDN-UONOGXRCSA-N 1 0 389.293 4.028 20 0 GIADRO C[C@@H]([NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl)c1cccc(NS(C)(=O)=O)c1 ZINC000414192247 823925489 /nfs/dbraw/zinc/92/54/89/823925489.db2.gz UZEZJIJIZINZIK-JDSLSITLSA-N 1 0 382.888 4.057 20 0 GIADRO O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCC[N@@H+]1CCCc1ccncc1 ZINC000462329809 823926187 /nfs/dbraw/zinc/92/61/87/823926187.db2.gz ZSLPMYYKVNNSPI-GOSISDBHSA-N 1 0 378.303 4.424 20 0 GIADRO C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000170648232 823926500 /nfs/dbraw/zinc/92/65/00/823926500.db2.gz YMGYVPNPZBDOAK-IAGOWNOFSA-N 1 0 397.519 4.013 20 0 GIADRO COc1cc(N[C@@H](C)c2cccc(OCC[NH+](C)C)c2)cc(OC)c1Cl ZINC000414198233 823926420 /nfs/dbraw/zinc/92/64/20/823926420.db2.gz WUBUYVQJRUTEHT-AWEZNQCLSA-N 1 0 378.900 4.471 20 0 GIADRO COCC[C@H](C)C[NH2+][C@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000414201814 823927479 /nfs/dbraw/zinc/92/74/79/823927479.db2.gz MIMRQMGPWOSMTN-NWDGAFQWSA-N 1 0 380.838 4.338 20 0 GIADRO CN(C(=O)c1cccc(Oc2ccccc2)c1)C1CC[NH+](C2CCOCC2)CC1 ZINC000065039761 823928831 /nfs/dbraw/zinc/92/88/31/823928831.db2.gz FXBXFQWJKAXUFH-UHFFFAOYSA-N 1 0 394.515 4.194 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H](C)c2ccc(OC)cc2C)c1 ZINC000414209629 823928904 /nfs/dbraw/zinc/92/89/04/823928904.db2.gz LJXUMXUBNFQREG-CQSZACIVSA-N 1 0 381.925 4.301 20 0 GIADRO C[C@H](CC(=O)N(C)CC1([NH+](C)C)CCC1)c1ccc(F)c(Br)c1 ZINC000462335169 823928919 /nfs/dbraw/zinc/92/89/19/823928919.db2.gz SWOIVOKOFKQBME-CYBMUJFWSA-N 1 0 385.321 4.025 20 0 GIADRO O=C(c1ccoc1)N1CCC([NH2+]Cc2cccc(Br)c2Cl)CC1 ZINC000414211894 823929511 /nfs/dbraw/zinc/92/95/11/823929511.db2.gz PTNOICSIEPJBQE-UHFFFAOYSA-N 1 0 397.700 4.090 20 0 GIADRO CC1(C)CC(NC(=O)Nc2c(F)cc(F)cc2Br)CC(C)(C)[NH2+]1 ZINC000192279754 823930618 /nfs/dbraw/zinc/93/06/18/823930618.db2.gz NYFRQLLKHGWSQG-UHFFFAOYSA-N 1 0 390.272 4.158 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H]2CCc3c2ccc(OC)c3F)c1 ZINC000414214218 823930760 /nfs/dbraw/zinc/93/07/60/823930760.db2.gz VFXQAWKGTASTSV-QGZVFWFLSA-N 1 0 397.899 4.058 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H](c2cccnc2)C2CCC2)c1 ZINC000414214209 823931087 /nfs/dbraw/zinc/93/10/87/823931087.db2.gz VESXMWFDGCHZQA-LJQANCHMSA-N 1 0 378.925 4.160 20 0 GIADRO CC[C@@H]1OCC[C@H]1[NH2+][C@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000414216118 823931565 /nfs/dbraw/zinc/93/15/65/823931565.db2.gz VFDHEGLFBNZXFD-YVLXSGLVSA-N 1 0 378.822 4.233 20 0 GIADRO CCOCc1cccc(NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000170670060 823931959 /nfs/dbraw/zinc/93/19/59/823931959.db2.gz LHRKFQZZURFQCY-UHFFFAOYSA-N 1 0 381.520 4.052 20 0 GIADRO Cc1ccc(C(=O)C2CCN(C(=O)[C@H](C)[C@@H]([NH3+])c3ccccc3)CC2)c(C)c1 ZINC000575177784 823932360 /nfs/dbraw/zinc/93/23/60/823932360.db2.gz XAOZZEYKCATOIN-XMSQKQJNSA-N 1 0 378.516 4.061 20 0 GIADRO C[C@@H](OCCCNC(=O)c1ccccc1CC1CC[NH2+]CC1)c1ccccc1 ZINC000575181836 823933168 /nfs/dbraw/zinc/93/31/68/823933168.db2.gz FLBPAIZLPCDKTO-LJQANCHMSA-N 1 0 380.532 4.126 20 0 GIADRO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCC[N@@H+]1CCCc1ccncc1 ZINC000462346119 823933635 /nfs/dbraw/zinc/93/36/35/823933635.db2.gz CGNIOFSNMLHNIS-BEFAXECRSA-N 1 0 375.310 4.239 20 0 GIADRO O=C(NCCC[NH2+]C1CCCCC1)Nc1c(F)cc(F)cc1Br ZINC000192287304 823934735 /nfs/dbraw/zinc/93/47/35/823934735.db2.gz JQICKJYZMHHYSJ-UHFFFAOYSA-N 1 0 390.272 4.161 20 0 GIADRO CC[NH+](CC)[C@H]1CCN(C(=O)N[C@@H](Cc2ccccc2)c2ccc(OC)cc2)C1 ZINC000462349254 823935261 /nfs/dbraw/zinc/93/52/61/823935261.db2.gz RCPJJUZFCKWVMW-GMAHTHKFSA-N 1 0 395.547 4.105 20 0 GIADRO CC[N@H+](CCC1CCN(C(=O)c2cccc(Cn3ccnc3)c2)CC1)CC(C)C ZINC000575203427 823937955 /nfs/dbraw/zinc/93/79/55/823937955.db2.gz AJBHOBPHLZNIEJ-UHFFFAOYSA-N 1 0 396.579 4.152 20 0 GIADRO CSc1cnn(-c2ccccc2)c1NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000126732015 823937941 /nfs/dbraw/zinc/93/79/41/823937941.db2.gz KYLCJKMOKLGKAA-UHFFFAOYSA-N 1 0 387.553 4.025 20 0 GIADRO CC(C)(C(=O)N1CCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000065086767 823939441 /nfs/dbraw/zinc/93/94/41/823939441.db2.gz RYTZMUNOPBEGNB-UHFFFAOYSA-N 1 0 378.303 4.015 20 0 GIADRO C[C@@H]1C[C@H](C[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)[C@@H](C)O1 ZINC000414247121 823939935 /nfs/dbraw/zinc/93/99/35/823939935.db2.gz CJIZGFJZKFZEBJ-BCXHYRKLSA-N 1 0 382.342 4.320 20 0 GIADRO O=C(CCC[NH2+]Cc1ccc(OCC(F)F)cc1)Nc1ccc(Cl)cc1 ZINC000462358522 823939984 /nfs/dbraw/zinc/93/99/84/823939984.db2.gz KGLAUECIDNSBOR-UHFFFAOYSA-N 1 0 382.838 4.492 20 0 GIADRO Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+]CCC(C)(C)S(C)(=O)=O ZINC000414249586 823940848 /nfs/dbraw/zinc/94/08/48/823940848.db2.gz GPNUJLXPGDJLNY-GFCCVEGCSA-N 1 0 384.542 4.122 20 0 GIADRO Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]CCN1CCc2sccc2C1 ZINC000462362111 823941327 /nfs/dbraw/zinc/94/13/27/823941327.db2.gz VBTDGTZYPVOMMZ-UHFFFAOYSA-N 1 0 386.952 4.044 20 0 GIADRO C[C@@H]([NH2+]C[C@H]1C[C@@H](C)O[C@H]1C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000414251649 823941359 /nfs/dbraw/zinc/94/13/59/823941359.db2.gz ACYMJZSFUSFKML-FTEYMNFISA-N 1 0 379.504 4.377 20 0 GIADRO CCCCOc1ccc(C(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000126750905 823941987 /nfs/dbraw/zinc/94/19/87/823941987.db2.gz CRWWAMZYFGADLV-UHFFFAOYSA-N 1 0 381.520 4.249 20 0 GIADRO CC[C@H]([NH2+]C[C@@H]1CCO[C@H]1c1cnn(CC)c1)c1ccc(OC(F)F)cc1 ZINC000414253525 823942205 /nfs/dbraw/zinc/94/22/05/823942205.db2.gz TYRVIDDWCSDQLO-ZYSHUDEJSA-N 1 0 379.451 4.323 20 0 GIADRO CCS(=O)(=O)c1cccc(C[NH2+]C[C@@H](C)c2ccc(C(F)(F)F)cc2)c1 ZINC000575218015 823942589 /nfs/dbraw/zinc/94/25/89/823942589.db2.gz NGZUNTHXKDUPKO-CQSZACIVSA-N 1 0 385.451 4.392 20 0 GIADRO CCOCc1cc(CN2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)ccc1OC ZINC000575217774 823942686 /nfs/dbraw/zinc/94/26/86/823942686.db2.gz AVAATORDKJFQGL-RUZDIDTESA-N 1 0 394.559 4.330 20 0 GIADRO CSc1cc2c(cc1C[NH2+][C@@H](C)COc1ccc(F)cc1F)OCCO2 ZINC000462366419 823943193 /nfs/dbraw/zinc/94/31/93/823943193.db2.gz SCMCCSJKCMAFLO-LBPRGKRZSA-N 1 0 381.444 4.015 20 0 GIADRO COc1ccc(Br)c(C[NH2+][C@H](c2cccs2)C(C)(C)CO)c1 ZINC000575220539 823943476 /nfs/dbraw/zinc/94/34/76/823943476.db2.gz KGIGMDURGRDCDJ-MRXNPFEDSA-N 1 0 384.339 4.369 20 0 GIADRO Cc1ccc(NC(=O)c2cc(Br)c(F)cc2F)c(C[NH+](C)C)c1 ZINC000192314574 823943538 /nfs/dbraw/zinc/94/35/38/823943538.db2.gz DJTVXXINLDQVRV-UHFFFAOYSA-N 1 0 383.236 4.350 20 0 GIADRO O=C1c2ccccc2N[C@]2(CCC[N@H+](Cc3ccccc3)C2)N1Cc1cccnc1 ZINC000126758590 823943548 /nfs/dbraw/zinc/94/35/48/823943548.db2.gz WIIQXDYCBNLHPL-RUZDIDTESA-N 1 0 398.510 4.142 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@H](C)c2ccc(Br)cc2F)cn1 ZINC000414259654 823944349 /nfs/dbraw/zinc/94/43/49/823944349.db2.gz YGOIFLKVXGYYTR-FHSNZYRGSA-N 1 0 396.304 4.233 20 0 GIADRO CC[NH+](CC)[C@H](CNC(=O)N(C)CCc1nccs1)c1ccccc1Cl ZINC000126761500 823944358 /nfs/dbraw/zinc/94/43/58/823944358.db2.gz JIZCBBFKRKMVBD-QGZVFWFLSA-N 1 0 394.972 4.064 20 0 GIADRO C[NH+](C)Cc1ccc(NC(=O)c2n[nH]c(-c3ccccc3)c2Br)cc1 ZINC000065106450 823944366 /nfs/dbraw/zinc/94/43/66/823944366.db2.gz WATKEOLNVIWHIU-UHFFFAOYSA-N 1 0 399.292 4.153 20 0 GIADRO CC[C@H]([NH2+][C@H](C)c1ccc(OC)c(O)c1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000575222025 823944822 /nfs/dbraw/zinc/94/48/22/823944822.db2.gz LWPGQGCMRRNYCQ-WVBUVRCRSA-N 1 0 380.492 4.020 20 0 GIADRO CNC(=O)[C@H](CCSC)[NH2+][C@@H](C)c1ccc(-c2c(F)cccc2F)cc1 ZINC000575222198 823944852 /nfs/dbraw/zinc/94/48/52/823944852.db2.gz UTZXWRIHNCIPLL-UGSOOPFHSA-N 1 0 378.488 4.150 20 0 GIADRO COc1ccccc1[C@@H](CNC(=O)Nc1ccc2oc(C)nc2c1)[NH+]1CCCC1 ZINC000126767534 823946069 /nfs/dbraw/zinc/94/60/69/823946069.db2.gz IQGOPZNXTGULGB-LJQANCHMSA-N 1 0 394.475 4.103 20 0 GIADRO Cc1ccc(-c2nc3c(s2)[C@H]([NH2+]CCC(C)(C)S(C)(=O)=O)CCC3)cc1 ZINC000414266817 823946462 /nfs/dbraw/zinc/94/64/62/823946462.db2.gz RTYWPOJLJYFVBG-MRXNPFEDSA-N 1 0 392.590 4.299 20 0 GIADRO CC(C)(CC[NH2+][C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1)S(C)(=O)=O ZINC000414267962 823946977 /nfs/dbraw/zinc/94/69/77/823946977.db2.gz UDXVJZUCDBOCFY-HOTGVXAUSA-N 1 0 377.472 4.144 20 0 GIADRO CCc1ncc(C[NH2+][C@@H](Cc2ccc(OC)cc2)c2ccc(OC)cc2)cn1 ZINC000414271441 823948578 /nfs/dbraw/zinc/94/85/78/823948578.db2.gz WZAWRGYCLUNPQY-QFIPXVFZSA-N 1 0 377.488 4.130 20 0 GIADRO CC(C)c1c(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cnn1-c1ccccc1 ZINC000192334934 823949811 /nfs/dbraw/zinc/94/98/11/823949811.db2.gz CZHQFFXVOYNJNM-LJQANCHMSA-N 1 0 381.524 4.088 20 0 GIADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cnn(-c3cccc(Cl)c3)c2)C1 ZINC000065141087 823950585 /nfs/dbraw/zinc/95/05/85/823950585.db2.gz UATWGIDGTGOSMK-JXFKEZNVSA-N 1 0 394.906 4.091 20 0 GIADRO Cc1nc(-c2c[nH]c(C(=O)N[C@@H]3CC[N@@H+]([C@H](C)c4ccccc4)C3)c2)cs1 ZINC000065140640 823950963 /nfs/dbraw/zinc/95/09/63/823950963.db2.gz FXURZBUBCMCPBK-RDTXWAMCSA-N 1 0 380.517 4.012 20 0 GIADRO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]C[C@H](C)CC(F)(F)F)cc1 ZINC000414285431 823951613 /nfs/dbraw/zinc/95/16/13/823951613.db2.gz RMZDUMKTGNPQJY-HYVNUMGLSA-N 1 0 377.472 4.258 20 0 GIADRO Cc1ccc(NC(=O)c2cccc(Br)c2F)c(OCC[NH+](C)C)c1 ZINC000192339607 823952070 /nfs/dbraw/zinc/95/20/70/823952070.db2.gz ALAHPQRWRIHUNV-UHFFFAOYSA-N 1 0 395.272 4.089 20 0 GIADRO Cc1ccc(C(=O)C(C(=S)Nc2ccc(Cl)nc2)[n+]2ccccc2)s1 ZINC000170715558 823952347 /nfs/dbraw/zinc/95/23/47/823952347.db2.gz LKOUEVLIIQVNCO-UHFFFAOYSA-O 1 0 388.925 4.443 20 0 GIADRO NS(=O)(=O)c1ccc(C[NH2+][C@H](c2ccccc2)C2CCCC2)cc1Cl ZINC000414298426 823953618 /nfs/dbraw/zinc/95/36/18/823953618.db2.gz INCGQYQLVWESGD-LJQANCHMSA-N 1 0 378.925 4.009 20 0 GIADRO CC(C)(C)[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)c1ccc(F)cc1 ZINC000414305561 823954573 /nfs/dbraw/zinc/95/45/73/823954573.db2.gz RWCXFMWVQHTMAF-QGZVFWFLSA-N 1 0 384.904 4.004 20 0 GIADRO FC(F)SCc1ccc(CNC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)o1 ZINC000192355140 823957300 /nfs/dbraw/zinc/95/73/00/823957300.db2.gz PSFFNGFJUDYRNO-IBGZPJMESA-N 1 0 396.503 4.116 20 0 GIADRO Cc1cc(C[NH2+]Cc2cccc(CN3CCOCC3)c2)ccc1C(F)(F)F ZINC000414319359 823957335 /nfs/dbraw/zinc/95/73/35/823957335.db2.gz ZAOHSRKJKMNPFM-UHFFFAOYSA-N 1 0 378.438 4.136 20 0 GIADRO C[C@H]1[C@@H](NC(=O)Nc2cccc(OC(F)F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000575351806 823960297 /nfs/dbraw/zinc/96/02/97/823960297.db2.gz ZVWRCKIDUMBWRH-KSSFIOAISA-N 1 0 375.419 4.073 20 0 GIADRO C[C@H](CS(C)(=O)=O)[NH2+]Cc1oc2ccc(Cl)cc2c1-c1ccccc1 ZINC000414334918 823960426 /nfs/dbraw/zinc/96/04/26/823960426.db2.gz UVRXIDXRKSOSCK-CYBMUJFWSA-N 1 0 377.893 4.276 20 0 GIADRO COc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H](C)Cc1cn(C)c2ccc(F)cc12 ZINC000414336004 823960728 /nfs/dbraw/zinc/96/07/28/823960728.db2.gz CLJODFCHLFCMTC-HZPDHXFCSA-N 1 0 397.494 4.264 20 0 GIADRO CC(C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1C(F)(F)F ZINC000414339004 823961247 /nfs/dbraw/zinc/96/12/47/823961247.db2.gz JGOPKRQBWFGNAB-VHSXEESVSA-N 1 0 381.236 4.032 20 0 GIADRO C[C@H](Cc1cn(C)c2ccc(F)cc12)[NH2+][C@@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000414343402 823961557 /nfs/dbraw/zinc/96/15/57/823961557.db2.gz AYMBXHSCGXYBQU-CVEARBPZSA-N 1 0 381.495 4.301 20 0 GIADRO C[C@H]([NH2+]Cc1cnn(C)c1C(F)(F)F)c1ccc(Oc2cccnc2)cc1 ZINC000575359728 823961590 /nfs/dbraw/zinc/96/15/90/823961590.db2.gz QOMKRZAKISWMQF-ZDUSSCGKSA-N 1 0 376.382 4.477 20 0 GIADRO Cc1cc(C[NH2+]Cc2cc(F)c(C(F)(F)F)cc2F)ccc1-n1cncn1 ZINC000575355861 823961621 /nfs/dbraw/zinc/96/16/21/823961621.db2.gz MEZPQYKZXNAAMM-UHFFFAOYSA-N 1 0 382.336 4.163 20 0 GIADRO Cc1cc(C[NH2+]CCCC(=O)N2Cc3ccccc3C2)ccc1C(F)(F)F ZINC000414343459 823961827 /nfs/dbraw/zinc/96/18/27/823961827.db2.gz BBLSQPQLFHMYRZ-UHFFFAOYSA-N 1 0 376.422 4.426 20 0 GIADRO CCS(=O)(=O)CCC[NH2+][C@@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000414346821 823962360 /nfs/dbraw/zinc/96/23/60/823962360.db2.gz QFELZNZFVDYAOV-JTQLQIEISA-N 1 0 391.377 4.200 20 0 GIADRO Cc1csc(N2CCC([NH2+][C@H](C)Cc3cn(C)c4ccc(F)cc34)CC2)n1 ZINC000414351896 823963123 /nfs/dbraw/zinc/96/31/23/823963123.db2.gz SLEOESJJGXYEDS-CQSZACIVSA-N 1 0 386.540 4.272 20 0 GIADRO O=C(N[C@@H](c1cc2ccccc2o1)c1ccccc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000170757988 823963384 /nfs/dbraw/zinc/96/33/84/823963384.db2.gz SFHCGMUSNXOGLK-NZQKXSOJSA-N 1 0 389.499 4.402 20 0 GIADRO C[NH+](C)[C@H](CNC(=O)N1CCCCC[C@H]1c1ccncc1)c1cccc(F)c1 ZINC000126846617 823965319 /nfs/dbraw/zinc/96/53/19/823965319.db2.gz HYJSBSKXMWSOBF-LEWJYISDSA-N 1 0 384.499 4.150 20 0 GIADRO CCOCC[C@@H](O)C[NH2+][C@@H](c1ccccc1)c1ccc(Br)cc1F ZINC000575377473 823965458 /nfs/dbraw/zinc/96/54/58/823965458.db2.gz SAXHUWSZONDGGD-APWZRJJASA-N 1 0 396.300 4.055 20 0 GIADRO 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 ZINC000462415755 823966564 /nfs/dbraw/zinc/96/65/64/823966564.db2.gz PCZPUQCZLVECHK-HFLCHRANSA-N 1 0 392.971 4.289 20 0 GIADRO c1ccc2cc(OCCC[N@@H+]3CCC[C@@H](c4nnc5n4CCC5)C3)ccc2c1 ZINC000170776931 823968711 /nfs/dbraw/zinc/96/87/11/823968711.db2.gz KJFQWUXAVKGXCN-HXUWFJFHSA-N 1 0 376.504 4.026 20 0 GIADRO Cc1occc1C[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000414378245 823969185 /nfs/dbraw/zinc/96/91/85/823969185.db2.gz CTPQSUFTWAZGII-UHFFFAOYSA-N 1 0 377.282 4.201 20 0 GIADRO CC[C@H](CNC(=O)CCc1cncc2ccccc21)[N@@H+]1CCc2ccccc2C1 ZINC000462422475 823969421 /nfs/dbraw/zinc/96/94/21/823969421.db2.gz ZADXVGGQAALLSO-HSZRJFAPSA-N 1 0 387.527 4.121 20 0 GIADRO Cc1noc(C)c1C(=O)N(CCC[NH+](C)C)C(c1ccccc1)c1ccccc1 ZINC000170779778 823969955 /nfs/dbraw/zinc/96/99/55/823969955.db2.gz ROSBWEGOXBBCFE-UHFFFAOYSA-N 1 0 391.515 4.475 20 0 GIADRO Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ncc(C(C)C)s2)C1 ZINC000192400095 823970919 /nfs/dbraw/zinc/97/09/19/823970919.db2.gz TVACHDGTWQVKCE-AWEZNQCLSA-N 1 0 393.582 4.017 20 0 GIADRO COc1ccccc1[C@H]1CCC[N@@H+]1Cc1ccc(OCc2nccn2C)cc1 ZINC000170785709 823971317 /nfs/dbraw/zinc/97/13/17/823971317.db2.gz KBVNBDFNCHSCOD-OAQYLSRUSA-N 1 0 377.488 4.345 20 0 GIADRO CC(C)[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)c1ccccc1Cl ZINC000414389874 823971348 /nfs/dbraw/zinc/97/13/48/823971348.db2.gz HHMXOIMESLLFCJ-KRWDZBQOSA-N 1 0 387.332 4.128 20 0 GIADRO C[C@@H]([NH2+]C[C@@H]1CCCN(Cc2cccs2)C1)c1ccc(N2CCCC2=O)cc1 ZINC000126879716 823972607 /nfs/dbraw/zinc/97/26/07/823972607.db2.gz OHLGKQPFVXPZNT-MOPGFXCFSA-N 1 0 397.588 4.438 20 0 GIADRO CSCCc1ccc(NC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)cc1 ZINC000170792474 823972798 /nfs/dbraw/zinc/97/27/98/823972798.db2.gz BRULSDMHZIANGR-UHFFFAOYSA-N 1 0 398.576 4.296 20 0 GIADRO CCOc1ccccc1C[NH+]1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1 ZINC000126883150 823973497 /nfs/dbraw/zinc/97/34/97/823973497.db2.gz HBKZKGVPCLIWRE-UHFFFAOYSA-N 1 0 384.495 4.061 20 0 GIADRO C[NH+](C)Cc1cc(-c2noc([C@@H]3C[C@]34CCOc3ccccc34)n2)ccc1F ZINC000575538819 823974921 /nfs/dbraw/zinc/97/49/21/823974921.db2.gz HCLMVWDYSUOYGG-JTSKRJEESA-N 1 0 379.435 4.145 20 0 GIADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)/C=C(\C)c1ccccc1OC ZINC000170813158 823978015 /nfs/dbraw/zinc/97/80/15/823978015.db2.gz VNRDCKSMUHFFML-HCUHUEOSSA-N 1 0 393.531 4.007 20 0 GIADRO O=C([C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000170812181 823978076 /nfs/dbraw/zinc/97/80/76/823978076.db2.gz VPYIMNFHQPEEHI-SJORKVTESA-N 1 0 381.347 4.431 20 0 GIADRO CCCCOc1cc(C[N@@H+]2CC[C@@H](OCc3c(C)noc3C)C2)ccc1OC ZINC000575600653 823978618 /nfs/dbraw/zinc/97/86/18/823978618.db2.gz ZLGVMBAADMDNAC-LJQANCHMSA-N 1 0 388.508 4.270 20 0 GIADRO CC(C)C[N@H+](CC(=O)N1CCc2sccc2C1)[C@H]1CCCc2cccnc21 ZINC000126916664 823979857 /nfs/dbraw/zinc/97/98/57/823979857.db2.gz XUYJYRVZRYTALY-IBGZPJMESA-N 1 0 383.561 4.063 20 0 GIADRO O=C(c1ccc(C2SCCS2)cc1)N1CCC([NH2+]C2CCCC2)CC1 ZINC000126918226 823980509 /nfs/dbraw/zinc/98/05/09/823980509.db2.gz DECVQKZUBKICQS-UHFFFAOYSA-N 1 0 376.591 4.302 20 0 GIADRO Cc1ccc(C[NH2+][C@@H]2CCN(C(C)(C)C)[C@@H]2c2ccc(Cl)c(F)c2)nn1 ZINC000414425839 823981911 /nfs/dbraw/zinc/98/19/11/823981911.db2.gz BABJZULKRSQYIU-RTBURBONSA-N 1 0 376.907 4.281 20 0 GIADRO CCc1ncc(C[NH2+][C@H]2CCN(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)cn1 ZINC000414426548 823982323 /nfs/dbraw/zinc/98/23/23/823982323.db2.gz HKSUPMUQAAGTSJ-ICSRJNTNSA-N 1 0 376.907 4.145 20 0 GIADRO CN(C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000126933616 823984372 /nfs/dbraw/zinc/98/43/72/823984372.db2.gz AOJWJTWPFDOLLV-IAGOWNOFSA-N 1 0 398.469 4.493 20 0 GIADRO Cc1cc(OC[C@H](O)C[NH2+]C[C@@H](C)c2nccs2)c(C(C)C)cc1Cl ZINC000575742570 823984666 /nfs/dbraw/zinc/98/46/66/823984666.db2.gz LHEYRXKETPIHFG-HUUCEWRRSA-N 1 0 382.957 4.361 20 0 GIADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)Nc1cc(C(F)(F)F)ccn1 ZINC000192422623 823984763 /nfs/dbraw/zinc/98/47/63/823984763.db2.gz WFWZCDJJKGCSKU-AWEZNQCLSA-N 1 0 382.386 4.042 20 0 GIADRO CC[NH+](CC)CCOc1ccc(C(=O)N2CC=C(c3ccc(O)cc3)CC2)cc1 ZINC000170834280 823985316 /nfs/dbraw/zinc/98/53/16/823985316.db2.gz SMMQXGOTQACFKJ-UHFFFAOYSA-N 1 0 394.515 4.042 20 0 GIADRO O=C([C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)N1CCC([NH2+]C2CCCC2)CC1 ZINC000126941791 823986219 /nfs/dbraw/zinc/98/62/19/823986219.db2.gz KJIDWLZNAJKONW-QZTJIDSGSA-N 1 0 380.454 4.332 20 0 GIADRO CC(C)[NH+]1CCC(NC(=O)N2CC=C(c3ccccc3C(F)(F)F)CC2)CC1 ZINC000126945338 823986750 /nfs/dbraw/zinc/98/67/50/823986750.db2.gz OIVIEHAIOSEREV-UHFFFAOYSA-N 1 0 395.469 4.377 20 0 GIADRO Cc1ccc(-n2cc(C[N@@H+]3CC[C@H](O)[C@@H](C)C3)c(-c3ccc(F)cc3)n2)cc1 ZINC000575756464 823986903 /nfs/dbraw/zinc/98/69/03/823986903.db2.gz JCTJBPMVQWPPSH-JTSKRJEESA-N 1 0 379.479 4.190 20 0 GIADRO CCc1ncc(C[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)cn1 ZINC000414451673 823988036 /nfs/dbraw/zinc/98/80/36/823988036.db2.gz NZHPKGKYDRXATL-LJQANCHMSA-N 1 0 379.426 4.315 20 0 GIADRO Clc1ccc(OC[C@@H]2CCCO2)c(C[NH+]2CCC(c3ccncn3)CC2)c1 ZINC000414472449 823991259 /nfs/dbraw/zinc/99/12/59/823991259.db2.gz RXFPFZGXYPQCRF-IBGZPJMESA-N 1 0 387.911 4.067 20 0 GIADRO COc1ccccc1-c1ccc(C[N@H+](Cc2cc(=O)c(O)co2)C(C)C)cc1 ZINC000126967442 823991425 /nfs/dbraw/zinc/99/14/25/823991425.db2.gz KXKCQKHHBAFBEX-UHFFFAOYSA-N 1 0 379.456 4.432 20 0 GIADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]Cc2ccc(OC(F)F)cc2)c1 ZINC000414479995 823991867 /nfs/dbraw/zinc/99/18/67/823991867.db2.gz JMNLADLSVZEPGN-UHFFFAOYSA-N 1 0 389.851 4.025 20 0 GIADRO CCCNc1ccc(CNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000192436790 823992451 /nfs/dbraw/zinc/99/24/51/823992451.db2.gz QFPRPHJWTUVSLR-UHFFFAOYSA-N 1 0 380.536 4.104 20 0 GIADRO COC(=O)[C@H](C)c1cccc(NCc2ccccc2N(C)C2CC[NH+](C)CC2)c1 ZINC000414481363 823992637 /nfs/dbraw/zinc/99/26/37/823992637.db2.gz BJYUYWWRWVYWGJ-GOSISDBHSA-N 1 0 395.547 4.106 20 0 GIADRO COc1ccc2c(c1F)CC[C@@H]2[NH2+]Cc1cccc(NC(=O)c2ccccn2)c1 ZINC000575781509 823992871 /nfs/dbraw/zinc/99/28/71/823992871.db2.gz NMSJFCSQBODCQF-IBGZPJMESA-N 1 0 391.446 4.259 20 0 GIADRO COC(=O)C1CCC([NH2+][C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)CC1 ZINC000192439183 823993595 /nfs/dbraw/zinc/99/35/95/823993595.db2.gz QYFPVEHHHREAKL-VQSBYGRUSA-N 1 0 380.488 4.321 20 0 GIADRO COc1cc(C[NH2+][C@@H]2Cc3ccccc3[C@@H]2OC)ccc1OCc1ccncc1 ZINC000414491746 823994344 /nfs/dbraw/zinc/99/43/44/823994344.db2.gz DDRDZGPIVGKKAU-QPPBQGQZSA-N 1 0 390.483 4.071 20 0 GIADRO COCCNc1ccc(C[NH2+][C@H](C)c2ccc(OC)c(Br)c2)cc1 ZINC000126983828 823994482 /nfs/dbraw/zinc/99/44/82/823994482.db2.gz QRZYXBMVBXMXKJ-CQSZACIVSA-N 1 0 393.325 4.367 20 0 GIADRO COc1cccc2c1CC[C@@H]([NH2+]CCCc1nc(-c3ccncc3)cs1)C2 ZINC000192445463 823995194 /nfs/dbraw/zinc/99/51/94/823995194.db2.gz NLPABLRDKBDUEG-GOSISDBHSA-N 1 0 379.529 4.293 20 0 GIADRO COC(=O)CCn1nc(C)c(C[NH2+][C@H]2CC[C@H](c3ccc(Cl)cc3)C2)c1C ZINC000414498110 823995892 /nfs/dbraw/zinc/99/58/92/823995892.db2.gz HPLJLKOPXYNGEP-HKUYNNGSSA-N 1 0 389.927 4.142 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+]Cc2ccc(Cl)c(Br)c2)cn1 ZINC000414505952 823997501 /nfs/dbraw/zinc/99/75/01/823997501.db2.gz RUXOEDFAHQRGAE-SUMWQHHRSA-N 1 0 398.732 4.186 20 0 GIADRO CCOc1c(OC)cc(C[NH2+][C@H](C)c2ccc(F)cc2N(C)C)cc1OC ZINC000126996849 823997502 /nfs/dbraw/zinc/99/75/02/823997502.db2.gz VIHZHYWLGJLUEA-CQSZACIVSA-N 1 0 376.472 4.158 20 0 GIADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+]Cc2ccc(-c3ccccc3)cc2OC)cn1 ZINC000414505961 823997626 /nfs/dbraw/zinc/99/76/26/823997626.db2.gz RWAQSJZCEBIUNG-XUZZJYLKSA-N 1 0 391.515 4.446 20 0 GIADRO COc1ccc(C(=O)CC(C)(C)CC(=O)Nc2ccccc2C[NH+](C)C)cc1 ZINC000575791835 823997709 /nfs/dbraw/zinc/99/77/09/823997709.db2.gz OVGJEZYWTARPRL-UHFFFAOYSA-N 1 0 382.504 4.385 20 0 GIADRO C[C@H](c1ccncc1)N(C)C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000126998435 823997829 /nfs/dbraw/zinc/99/78/29/823997829.db2.gz CQLIVLQLVUDBGW-LJQANCHMSA-N 1 0 380.536 4.216 20 0 GIADRO CCCOc1c(Br)cc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@H]2C)cc1OC ZINC000414508255 823997965 /nfs/dbraw/zinc/99/79/65/823997965.db2.gz AYFCKQKUYAXADP-IPYPFGDCSA-N 1 0 386.330 4.150 20 0 GIADRO C[C@@H](C[NH2+]CC1(c2c(F)cccc2F)CCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000414511816 823999021 /nfs/dbraw/zinc/99/90/21/823999021.db2.gz YLIKAMNOZFXNNI-HNNXBMFYSA-N 1 0 393.499 4.183 20 0 GIADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N(Cc1ccc(F)cc1F)C1CC1 ZINC000170880426 823999152 /nfs/dbraw/zinc/99/91/52/823999152.db2.gz GCHTXOSUJMRNBJ-LJQANCHMSA-N 1 0 389.446 4.069 20 0 GIADRO O=C(CCc1ccc(Cl)s1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000192460902 823999245 /nfs/dbraw/zinc/99/92/45/823999245.db2.gz QZQSZPMKLQABOG-UHFFFAOYSA-N 1 0 376.953 4.157 20 0 GIADRO CC(C)(CC[NH2+]Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1)S(C)(=O)=O ZINC000414513600 823999242 /nfs/dbraw/zinc/99/92/42/823999242.db2.gz GLWNUHBFSNKDTB-UHFFFAOYSA-N 1 0 389.439 4.268 20 0 GIADRO Cc1ccc([C@H](OC[C@@H](O)C[NH2+]CC2(C(F)F)CC2)c2ccccc2)cc1 ZINC000575797228 823999388 /nfs/dbraw/zinc/99/93/88/823999388.db2.gz REWOIDDXVLLERX-VQTJNVASSA-N 1 0 375.459 4.097 20 0 GIADRO Cc1cccn2cc(COc3ccc(C[NH2+]C[C@@H]4C[C@H](C)O[C@@H]4C)cc3)nc12 ZINC000414514956 823999494 /nfs/dbraw/zinc/99/94/94/823999494.db2.gz MQVAMPHWXSDSGW-NSHGMRRFSA-N 1 0 379.504 4.125 20 0 GIADRO O=C(c1ccccc1CC1CC[NH2+]CC1)N1CCC(OCC2CCCCC2)CC1 ZINC000575803047 824000580 /nfs/dbraw/zinc/00/05/80/824000580.db2.gz AKBNRAOQCLWOBA-UHFFFAOYSA-N 1 0 398.591 4.430 20 0 GIADRO O=C(c1ccc(F)cc1)C1CC[NH+](Cc2ccc(C(=O)N3CCCC3)cc2)CC1 ZINC000192463988 824000676 /nfs/dbraw/zinc/00/06/76/824000676.db2.gz ZHYICXMFKMUCTA-UHFFFAOYSA-N 1 0 394.490 4.157 20 0 GIADRO Cc1ccc([C@H](CNC(=O)N[C@@H](c2nccs2)c2ccccc2)[NH+](C)C)cc1 ZINC000170888258 824001072 /nfs/dbraw/zinc/00/10/72/824001072.db2.gz LJURLJZLKHOFDG-VQTJNVASSA-N 1 0 394.544 4.143 20 0 GIADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N[C@@H](c2ccccc2)c2cccnc2)C1 ZINC000170893628 824002223 /nfs/dbraw/zinc/00/22/23/824002223.db2.gz LMIGNKKJPHZVMX-VIZSFHNOSA-N 1 0 394.563 4.228 20 0 GIADRO CC1(C)[C@H]([NH2+][C@@H]2CCN(C(=O)Nc3ccccc3)C2)C[C@H]1Oc1ccccc1 ZINC000575821362 824003448 /nfs/dbraw/zinc/00/34/48/824003448.db2.gz XXFGPFIYFFMZOT-HMXCVIKNSA-N 1 0 379.504 4.129 20 0 GIADRO CC[C@@H](C)[N@H+](CCc1ccncc1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000192470733 824003516 /nfs/dbraw/zinc/00/35/16/824003516.db2.gz VUTGPTYVLVTKAX-OAHLLOKOSA-N 1 0 379.426 4.382 20 0 GIADRO COc1ccc([C@H]2CCCN2C(=O)C[NH2+]C2(c3ccccc3)CCC2)cc1OC ZINC000170907213 824003638 /nfs/dbraw/zinc/00/36/38/824003638.db2.gz BCMBSROIRKEEJS-HXUWFJFHSA-N 1 0 394.515 4.036 20 0 GIADRO CCCOc1cc(C[NH2+][C@H](c2ccccc2)C2(CO)CCOCC2)ccc1OC ZINC000414534895 824003830 /nfs/dbraw/zinc/00/38/30/824003830.db2.gz HEFVIOVYWURANW-HSZRJFAPSA-N 1 0 399.531 4.104 20 0 GIADRO OC[C@H](C[NH2+]Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1)c1ccc(F)cc1 ZINC000414535839 824004476 /nfs/dbraw/zinc/00/44/76/824004476.db2.gz WWGFGYFGSLLZEU-INIZCTEOSA-N 1 0 393.384 4.100 20 0 GIADRO OCC1([C@@H]([NH2+]Cc2cc(O)cc(C(F)(F)F)c2)c2ccccc2)CCOCC1 ZINC000414538246 824005232 /nfs/dbraw/zinc/00/52/32/824005232.db2.gz LWUXUQRDVFKNOP-IBGZPJMESA-N 1 0 395.421 4.031 20 0 GIADRO Cc1oc(-c2ccsc2)nc1CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000575827981 824005493 /nfs/dbraw/zinc/00/54/93/824005493.db2.gz BRJWFPOAKAEWQC-KXBFYZLASA-N 1 0 395.528 4.033 20 0 GIADRO CC(C)COc1cccc(C[NH2+][C@H](c2ccccc2)C2(CO)CCOCC2)c1 ZINC000414544382 824007068 /nfs/dbraw/zinc/00/70/68/824007068.db2.gz UROSKLFSVZPNJY-HSZRJFAPSA-N 1 0 383.532 4.341 20 0 GIADRO COc1ccc(Oc2ccc(C[N@@H+]3CCC[C@H](N4CCCC4=O)CC3)cc2)cc1 ZINC000414543872 824007081 /nfs/dbraw/zinc/00/70/81/824007081.db2.gz CNKSXPSXKHFJKA-FQEVSTJZSA-N 1 0 394.515 4.464 20 0 GIADRO Fc1ccc(-n2cc(C[N@@H+]3CC4(CCOCC4)[C@H]3c3ccccc3)cn2)cc1 ZINC000414552508 824010059 /nfs/dbraw/zinc/01/00/59/824010059.db2.gz KJIUZTXMTHCNFR-JOCHJYFZSA-N 1 0 377.463 4.365 20 0 GIADRO COCCNc1ccc(C[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)cc1 ZINC000127065424 824010145 /nfs/dbraw/zinc/01/01/45/824010145.db2.gz KPQRNQVQVNJCNY-INIZCTEOSA-N 1 0 382.483 4.229 20 0 GIADRO O=C(NC[C@@H](Cc1ccccc1)C(F)(F)F)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000575844947 824010800 /nfs/dbraw/zinc/01/08/00/824010800.db2.gz UXIIHMMBTJQEOC-GOSISDBHSA-N 1 0 399.416 4.398 20 0 GIADRO Cc1cccnc1[C@H](NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)C(C)C ZINC000127078404 824012713 /nfs/dbraw/zinc/01/27/13/824012713.db2.gz JOCIXTXIJVUBTD-XVAXZDLZSA-N 1 0 386.584 4.429 20 0 GIADRO C[C@@H]([NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1)C(=O)Nc1cccc(Cl)c1Cl ZINC000575854145 824012894 /nfs/dbraw/zinc/01/28/94/824012894.db2.gz NOPLZNQBUGXQEI-PBFPGSCMSA-N 1 0 394.302 4.225 20 0 GIADRO C[C@H]1CN(c2ccccc2C[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)CCO1 ZINC000414560308 824013128 /nfs/dbraw/zinc/01/31/28/824013128.db2.gz QVBMVWKNLZSSCT-RDPSFJRHSA-N 1 0 392.543 4.265 20 0 GIADRO Fc1ccc(N2CC[C@@H]([NH2+]Cc3ccccc3OCc3ccncc3)C2)cc1 ZINC000414580154 824015458 /nfs/dbraw/zinc/01/54/58/824015458.db2.gz JICAZFGHTMVXCZ-OAQYLSRUSA-N 1 0 377.463 4.168 20 0 GIADRO Fc1ccc(N2CC[C@@H]([NH2+]Cc3ccc(OCc4ccncc4)cc3)C2)cc1 ZINC000414582759 824015889 /nfs/dbraw/zinc/01/58/89/824015889.db2.gz LMPCUSKFUOTAKU-OAQYLSRUSA-N 1 0 377.463 4.168 20 0 GIADRO C[C@@H](NC(=O)N1CCC[C@H]1C[NH+]1CCCC1)c1nc(-c2ccccc2)cs1 ZINC000170955876 824017536 /nfs/dbraw/zinc/01/75/36/824017536.db2.gz PPXXAZIMJBGMPC-AEFFLSMTSA-N 1 0 384.549 4.141 20 0 GIADRO COc1cc(-c2noc(C(C)(C)[C@@H]([NH3+])c3ccccc3)n2)cc(Cl)c1OC ZINC000414613558 824017882 /nfs/dbraw/zinc/01/78/82/824017882.db2.gz DZFKAYZXDHMGIU-KRWDZBQOSA-N 1 0 387.867 4.385 20 0 GIADRO Cc1nc(NC(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)sc1C(F)(F)F ZINC000575884551 824019785 /nfs/dbraw/zinc/01/97/85/824019785.db2.gz JIZQWESSEZASGH-JSGCOSHPSA-N 1 0 398.454 4.427 20 0 GIADRO COc1cc2c(cc1C[NH2+]CCc1cnc(SC3CCCC3)nc1)O[C@H](C)C2 ZINC000575886076 824020268 /nfs/dbraw/zinc/02/02/68/824020268.db2.gz AIFVYZMBCJKANW-OAHLLOKOSA-N 1 0 399.560 4.176 20 0 GIADRO C[NH+](C)C[C@H]1CCN(C(=O)Nc2ccccc2-c2cc(F)c(F)c(F)c2)C1 ZINC000127114540 824020498 /nfs/dbraw/zinc/02/04/98/824020498.db2.gz ZJZSCLYFPLNQRI-CYBMUJFWSA-N 1 0 377.410 4.186 20 0 GIADRO CCOc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c(F)c1 ZINC000575898565 824023316 /nfs/dbraw/zinc/02/33/16/824023316.db2.gz JDBZRGSPVKLZNC-IFXJQAMLSA-N 1 0 391.512 4.491 20 0 GIADRO CCOc1ccc(NC(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c(F)c1 ZINC000575898566 824023455 /nfs/dbraw/zinc/02/34/55/824023455.db2.gz JDBZRGSPVKLZNC-KUHUBIRLSA-N 1 0 391.512 4.491 20 0 GIADRO CCC[C@H](NC(=O)C[NH2+]C1(c2ccc(F)cc2)CCOCC1)c1ccccc1 ZINC000170971412 824023719 /nfs/dbraw/zinc/02/37/19/824023719.db2.gz IFSQNGZZKIVKKS-NRFANRHFSA-N 1 0 384.495 4.079 20 0 GIADRO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000414691409 824024040 /nfs/dbraw/zinc/02/40/40/824024040.db2.gz JBOGMIVCKLOLDS-LBPRGKRZSA-N 1 0 375.822 4.212 20 0 GIADRO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414694115 824024693 /nfs/dbraw/zinc/02/46/93/824024693.db2.gz MNTQACRDVPGQDL-NWDGAFQWSA-N 1 0 375.822 4.212 20 0 GIADRO Cc1ncc([C@@H](C)[NH2+]C[C@H]2CCN(c3cccc(Br)c3)C2)s1 ZINC000127140677 824025110 /nfs/dbraw/zinc/02/51/10/824025110.db2.gz USITVOQRQOCLJL-TZMCWYRMSA-N 1 0 380.355 4.391 20 0 GIADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)C1 ZINC000414712690 824025457 /nfs/dbraw/zinc/02/54/57/824025457.db2.gz NVXOYXVIVFYDSK-ZJUUUORDSA-N 1 0 394.235 4.059 20 0 GIADRO C[N@@H+]1CCC[C@@H](CNC(=O)CCN2c3ccccc3Sc3ccccc32)C1 ZINC000170977680 824026343 /nfs/dbraw/zinc/02/63/43/824026343.db2.gz UXURAACTUKDNHS-KRWDZBQOSA-N 1 0 381.545 4.137 20 0 GIADRO Cc1nc2ccc(NC(=O)N3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@@H]4C3)cc2o1 ZINC000575910059 824027084 /nfs/dbraw/zinc/02/70/84/824027084.db2.gz DWRZRKANIDKNCT-RBUKOAKNSA-N 1 0 390.487 4.122 20 0 GIADRO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000127150437 824027315 /nfs/dbraw/zinc/02/73/15/824027315.db2.gz VOGUNLNAOALPCG-HOCLYGCPSA-N 1 0 380.916 4.147 20 0 GIADRO CCOc1ccc(Oc2ccc(NC(=O)N3CC[C@]4(CC[NH2+]C4)C3)cc2)cc1 ZINC000414724241 824027861 /nfs/dbraw/zinc/02/78/61/824027861.db2.gz JRRZGDAZARHPCE-QFIPXVFZSA-N 1 0 381.476 4.095 20 0 GIADRO CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)N2CC[C@@H]([NH3+])C2)cc1 ZINC000414724450 824027910 /nfs/dbraw/zinc/02/79/10/824027910.db2.gz FWHIAZNQVCRBIW-CQSZACIVSA-N 1 0 375.856 4.096 20 0 GIADRO CCOc1ccc(Oc2ccccc2NC(=O)N2CCC[C@H](CC[NH3+])C2)cc1 ZINC000414724232 824027921 /nfs/dbraw/zinc/02/79/21/824027921.db2.gz JQUQKRMNGBMGOF-QGZVFWFLSA-N 1 0 383.492 4.470 20 0 GIADRO C[C@H]1CCCN(C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)[C@H]1C[NH3+] ZINC000414726598 824028865 /nfs/dbraw/zinc/02/88/65/824028865.db2.gz LHNCLNKEFLMMCS-KXBFYZLASA-N 1 0 394.544 4.478 20 0 GIADRO C[C@@H]1C[C@@H](NC(=O)Nc2ncc(Cc3ccc(C(F)(F)F)cc3)s2)CC[NH2+]1 ZINC000414729033 824029139 /nfs/dbraw/zinc/02/91/39/824029139.db2.gz DUIOKYSOGXEWLU-RISCZKNCSA-N 1 0 398.454 4.015 20 0 GIADRO C[NH2+]CC1CCN(C(=O)Nc2ncc(Cc3ccc(C)c(Cl)c3)s2)CC1 ZINC000414730430 824029697 /nfs/dbraw/zinc/02/96/97/824029697.db2.gz GWUFCLOOOAVACB-UHFFFAOYSA-N 1 0 392.956 4.159 20 0 GIADRO C[C@@H](CCC[NH3+])NC(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 ZINC000414735043 824030327 /nfs/dbraw/zinc/03/03/27/824030327.db2.gz LRGLHZRNTKCGHG-JTQLQIEISA-N 1 0 387.336 4.290 20 0 GIADRO C[NH2+][C@@H]1CCCN(C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)C1 ZINC000414734611 824030438 /nfs/dbraw/zinc/03/04/38/824030438.db2.gz WHWKTEGTNXMZLF-QGZVFWFLSA-N 1 0 380.517 4.103 20 0 GIADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2cc3ccccc3c(Cl)n2)CC1 ZINC000192556318 824030486 /nfs/dbraw/zinc/03/04/86/824030486.db2.gz PDEOIUWMVCDYFC-UHFFFAOYSA-N 1 0 383.879 4.218 20 0 GIADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 ZINC000414737022 824030761 /nfs/dbraw/zinc/03/07/61/824030761.db2.gz NRGRDRPXCJHZPN-IINYFYTJSA-N 1 0 399.347 4.160 20 0 GIADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000414737896 824031081 /nfs/dbraw/zinc/03/10/81/824031081.db2.gz OOKMXUJVUQJWQV-MLGOLLRUSA-N 1 0 378.929 4.121 20 0 GIADRO [NH3+]CC1CCN(C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)CC1 ZINC000414740840 824031458 /nfs/dbraw/zinc/03/14/58/824031458.db2.gz RHLHRSHUGXNPRF-UHFFFAOYSA-N 1 0 399.347 4.243 20 0 GIADRO C[C@H]1CCN(C(=O)Nc2ccccc2-c2nc3ccccc3s2)C[C@H]1C[NH3+] ZINC000414740627 824031469 /nfs/dbraw/zinc/03/14/69/824031469.db2.gz REUPPSOTOFDCLI-LSDHHAIUSA-N 1 0 380.517 4.412 20 0 GIADRO Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000575933334 824031966 /nfs/dbraw/zinc/03/19/66/824031966.db2.gz KGOQWMSWEHTDBG-LJQANCHMSA-N 1 0 393.531 4.440 20 0 GIADRO CCCN(C(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1)[C@@H](C)c1cc2ccccc2o1 ZINC000414745090 824032404 /nfs/dbraw/zinc/03/24/04/824032404.db2.gz OYGBVTKDAWHQFS-HOTGVXAUSA-N 1 0 393.487 4.391 20 0 GIADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)C1 ZINC000414753614 824033233 /nfs/dbraw/zinc/03/32/33/824033233.db2.gz WOESHUADBSBRPW-GXFFZTMASA-N 1 0 384.427 4.078 20 0 GIADRO COCc1ccc(NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000192567206 824033528 /nfs/dbraw/zinc/03/35/28/824033528.db2.gz NJVUKPUZBAHEMR-PGRDOPGGSA-N 1 0 381.520 4.350 20 0 GIADRO CCN(C(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1)[C@H](C)c1cc2ccccc2o1 ZINC000414760996 824033758 /nfs/dbraw/zinc/03/37/58/824033758.db2.gz ZQUKDJJJRJTROL-HUUCEWRRSA-N 1 0 379.460 4.001 20 0 GIADRO CO[C@@H]1CCN(C(=O)Nc2ccccc2Oc2ccccc2Cl)[C@@H](C[NH3+])C1 ZINC000414763774 824034319 /nfs/dbraw/zinc/03/43/19/824034319.db2.gz NMFMHKKXXABVJG-HUUCEWRRSA-N 1 0 389.883 4.102 20 0 GIADRO CCCN(C(=O)C(=O)Nc1cccc(C[NH2+]CC)c1)[C@H](CC)c1ccccc1 ZINC000414772715 824034708 /nfs/dbraw/zinc/03/47/08/824034708.db2.gz RLSDPPPKABIBRK-OAQYLSRUSA-N 1 0 381.520 4.125 20 0 GIADRO CSc1ccc([C@@H](CNC(=O)[C@@H]2[C@@H](c3ccccc3)C2(F)F)[NH+](C)C)cc1 ZINC000575950219 824035459 /nfs/dbraw/zinc/03/54/59/824035459.db2.gz UBIVAPUDTGSFDK-QRVBRYPASA-N 1 0 390.499 4.176 20 0 GIADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)Nc2ccc(OC(F)F)c(Cc3ccccc3)c2)C1 ZINC000414789000 824036487 /nfs/dbraw/zinc/03/64/87/824036487.db2.gz OEETYXMLBRSYLN-GDBMZVCRSA-N 1 0 389.446 4.080 20 0 GIADRO CN(C(=O)Nc1cc(Cl)ccc1N1CCCCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414817807 824039260 /nfs/dbraw/zinc/03/92/60/824039260.db2.gz BUOREAZTMXSOBV-SJPCQFCGSA-N 1 0 376.932 4.077 20 0 GIADRO COc1ccc([C@H]([NH2+][C@@H](C)C(=O)N[C@H](C)c2ccccc2OC)C2CC2)cc1 ZINC000192590549 824039625 /nfs/dbraw/zinc/03/96/25/824039625.db2.gz HGCHEZGHHAFVGB-ZMPRRUGASA-N 1 0 382.504 4.010 20 0 GIADRO [NH3+][C@@H]1CN(C(=O)Nc2ccc3oc(C4CC4)nc3c2)CC[C@H]1c1ccc(F)cc1 ZINC000414842772 824041185 /nfs/dbraw/zinc/04/11/85/824041185.db2.gz BQNRGFFWDDQGIA-ZWKOTPCHSA-N 1 0 394.450 4.193 20 0 GIADRO Cc1cc(C)n(-c2ccc(C(F)(F)F)cc2NC(=O)N[C@@H](C)CCCC[NH3+])n1 ZINC000414850174 824041655 /nfs/dbraw/zinc/04/16/55/824041655.db2.gz YXTVGABFPFRSEZ-LBPRGKRZSA-N 1 0 397.445 4.147 20 0 GIADRO Cc1cc(C)n(-c2ccc(C(F)(F)F)cc2NC(=O)N[C@H](C)CCCC[NH3+])n1 ZINC000414850171 824041730 /nfs/dbraw/zinc/04/17/30/824041730.db2.gz YXTVGABFPFRSEZ-GFCCVEGCSA-N 1 0 397.445 4.147 20 0 GIADRO CN(C)c1ccc(NC(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)c(C(F)(F)F)c1 ZINC000414846795 824041783 /nfs/dbraw/zinc/04/17/83/824041783.db2.gz HXKRZAQPPYJTMT-RDTXWAMCSA-N 1 0 398.473 4.157 20 0 GIADRO O=C(CC[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)Nc1ccccc1Cl ZINC000192599434 824042301 /nfs/dbraw/zinc/04/23/01/824042301.db2.gz AUFPZCCGOLAMLI-MRXNPFEDSA-N 1 0 385.895 4.019 20 0 GIADRO COc1cc(/C=C/c2nc(CC34CCC[NH+]3CCC4)no2)ccc1C(F)(F)F ZINC000575975093 824042439 /nfs/dbraw/zinc/04/24/39/824042439.db2.gz RYOZGFUQBQFZCO-FNORWQNLSA-N 1 0 393.409 4.438 20 0 GIADRO Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000414854903 824042510 /nfs/dbraw/zinc/04/25/10/824042510.db2.gz VKELBFFMZMSCGY-SJORKVTESA-N 1 0 383.540 4.069 20 0 GIADRO Cc1ccc(Sc2ccc(NC(=O)N3CCCO[C@@H](C[NH3+])C3)cc2)cc1C ZINC000414853560 824042594 /nfs/dbraw/zinc/04/25/94/824042594.db2.gz LALDHTHRWHNCGU-SFHVURJKSA-N 1 0 385.533 4.036 20 0 GIADRO CC(C)Oc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)cc1 ZINC000171033154 824043408 /nfs/dbraw/zinc/04/34/08/824043408.db2.gz KNELAJRFGOBDGC-UHFFFAOYSA-N 1 0 387.911 4.373 20 0 GIADRO CC(C)Oc1ccc(C[NH+]2CCC(C(=O)N3CCc4ccccc43)CC2)cc1 ZINC000171034687 824043647 /nfs/dbraw/zinc/04/36/47/824043647.db2.gz UWXIZYAHMQKINI-UHFFFAOYSA-N 1 0 378.516 4.275 20 0 GIADRO Cc1cc(Br)cc(C)c1NC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000414876361 824043773 /nfs/dbraw/zinc/04/37/73/824043773.db2.gz DFMOTCKYPCEBGN-ZDUSSCGKSA-N 1 0 376.298 4.407 20 0 GIADRO CC[C@H](C)[C@H](NC(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1)c1ccc(Cl)cc1 ZINC000414879911 824044210 /nfs/dbraw/zinc/04/42/10/824044210.db2.gz PZYXBCWHAAFCFN-NJSLBKSFSA-N 1 0 387.911 4.202 20 0 GIADRO O=C(C[C@H]1CCC[N@H+](CCc2ccc(F)c(F)c2)C1)NCc1ccc(F)cc1 ZINC000575985267 824044230 /nfs/dbraw/zinc/04/42/30/824044230.db2.gz DFGIWTGWRHSPTP-GOSISDBHSA-N 1 0 390.449 4.065 20 0 GIADRO Cc1cc(Br)cc(C)c1NC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000414881424 824044728 /nfs/dbraw/zinc/04/47/28/824044728.db2.gz KWPHCMIDHMKZME-KRWDZBQOSA-N 1 0 394.357 4.308 20 0 GIADRO Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000414884604 824045021 /nfs/dbraw/zinc/04/50/21/824045021.db2.gz NWPBZQAYCQCIMV-IYARVYRRSA-N 1 0 394.519 4.134 20 0 GIADRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)NCC1([NH3+])CCCCC1 ZINC000414888145 824045501 /nfs/dbraw/zinc/04/55/01/824045501.db2.gz JVPVZYWUNWQUFU-UHFFFAOYSA-N 1 0 395.507 4.422 20 0 GIADRO CC(C)C[C@H](NC(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1)c1ccc(Cl)cc1 ZINC000414888361 824045796 /nfs/dbraw/zinc/04/57/96/824045796.db2.gz RKGPVBMXECIJTQ-LIRRHRJNSA-N 1 0 387.911 4.202 20 0 GIADRO COc1ccc([C@H]2CC[NH2+]C[C@@H]2NCc2csc(-c3ccsc3)n2)cc1 ZINC000414891182 824046353 /nfs/dbraw/zinc/04/63/53/824046353.db2.gz VLKDHJKOYDGUMT-MOPGFXCFSA-N 1 0 385.558 4.116 20 0 GIADRO O=c1nc(CN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)[nH]c2sc(-c3ccccc3)cc21 ZINC000575996835 824046691 /nfs/dbraw/zinc/04/66/91/824046691.db2.gz APKUTJYPIRMJQH-SJLPKXTDSA-N 1 0 394.544 4.028 20 0 GIADRO Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)NCC1([NH3+])CCCCCC1 ZINC000414894491 824046693 /nfs/dbraw/zinc/04/66/93/824046693.db2.gz ZTOQUZAZCXCYAN-UHFFFAOYSA-N 1 0 394.519 4.421 20 0 GIADRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000414895826 824047055 /nfs/dbraw/zinc/04/70/55/824047055.db2.gz ZXCYWDMBCKIFMS-SFHVURJKSA-N 1 0 383.496 4.134 20 0 GIADRO CN(Cc1nc2ccccc2s1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000192624495 824048790 /nfs/dbraw/zinc/04/87/90/824048790.db2.gz YUVBWWWEGMJMDA-UHFFFAOYSA-N 1 0 394.544 4.234 20 0 GIADRO CC(C)CNC(=O)c1cccc(C[NH+]2CCC(OCCc3ccccc3)CC2)c1 ZINC000171054491 824049180 /nfs/dbraw/zinc/04/91/80/824049180.db2.gz ATKICKPUMBCOLX-UHFFFAOYSA-N 1 0 394.559 4.296 20 0 GIADRO CCCC(=O)Nc1cccc(NC(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)c1 ZINC000414914589 824049470 /nfs/dbraw/zinc/04/94/70/824049470.db2.gz KURNKSFZJIHVHW-FQEVSTJZSA-N 1 0 382.508 4.370 20 0 GIADRO CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]Cc1ccc(Cn3cccn3)cc1)CCC2 ZINC000192630750 824050471 /nfs/dbraw/zinc/05/04/71/824050471.db2.gz FVMJGCWHZMIXRQ-LJQANCHMSA-N 1 0 393.487 4.177 20 0 GIADRO C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@H]1CCCc2cc(N)ccc21 ZINC000414924263 824051031 /nfs/dbraw/zinc/05/10/31/824051031.db2.gz INJVCAXUYFSJSZ-ZHRRBRCNSA-N 1 0 391.515 4.091 20 0 GIADRO Cc1cccc(NC(=O)C[C@H](C)N[C@H](C[NH3+])c2ccc3ccccc3c2)c1C ZINC000414939855 824052306 /nfs/dbraw/zinc/05/23/06/824052306.db2.gz JXWWCEWIIQRTBV-GAJHUEQPSA-N 1 0 375.516 4.463 20 0 GIADRO Cc1ccc(C[N@H+](CCc2ccccn2)Cc2ccncc2)c(-c2cnn(C)c2)c1 ZINC000576028832 824053244 /nfs/dbraw/zinc/05/32/44/824053244.db2.gz XMONPQPGWCDODN-UHFFFAOYSA-N 1 0 397.526 4.430 20 0 GIADRO C[C@H](c1cccc(F)c1)[NH+]1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)CC1 ZINC000171065469 824053817 /nfs/dbraw/zinc/05/38/17/824053817.db2.gz NLMRAXVINIHTEV-CABCVRRESA-N 1 0 396.462 4.201 20 0 GIADRO C[NH2+]CCC1CCN(C(=O)Nc2cccnc2Oc2cccc(C)c2C)CC1 ZINC000414963304 824054649 /nfs/dbraw/zinc/05/46/49/824054649.db2.gz XDNAOIZGZKVOBL-UHFFFAOYSA-N 1 0 382.508 4.344 20 0 GIADRO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1ccc(OC(F)F)c(OC)c1 ZINC000171067522 824054914 /nfs/dbraw/zinc/05/49/14/824054914.db2.gz UYNYEYFSSZACPH-UHFFFAOYSA-N 1 0 392.446 4.021 20 0 GIADRO CCCC[N@H+](C)CC1CCN(C(=O)Nc2ccc(SC)cc2OC)CC1 ZINC000192650331 824055771 /nfs/dbraw/zinc/05/57/71/824055771.db2.gz ZFQORZOJJGAZKS-UHFFFAOYSA-N 1 0 379.570 4.393 20 0 GIADRO [NH3+]CC[C@H]1CCCN(C(=O)Nc2ccc(Br)cc2C(F)(F)F)C1 ZINC000414971759 824055938 /nfs/dbraw/zinc/05/59/38/824055938.db2.gz JCHJPQJROORMRV-SNVBAGLBSA-N 1 0 394.235 4.061 20 0 GIADRO Cc1cc(C)cc(Oc2ccc(NC(=O)N3CCC(OCCC[NH3+])CC3)cc2)c1 ZINC000414973160 824056007 /nfs/dbraw/zinc/05/60/07/824056007.db2.gz KHYWFHNYPHSMEZ-UHFFFAOYSA-N 1 0 397.519 4.457 20 0 GIADRO COc1ccc([C@H](O)[C@@H]2CCC[N@@H+]2Cc2nnc(-c3ccccc3Cl)o2)cc1 ZINC000359978593 212128407 /nfs/dbraw/zinc/12/84/07/212128407.db2.gz OKXZBWPTVSDXCS-ICSRJNTNSA-N 1 0 399.878 4.097 20 0 GIADRO CC(C)n1ccnc1C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000328604085 212084796 /nfs/dbraw/zinc/08/47/96/212084796.db2.gz ILUHAZWVWNRUJF-XMSQKQJNSA-N 1 0 377.492 4.068 20 0 GIADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1c[nH]nc1-c1ccc(Cl)cc1 ZINC000014261176 221308428 /nfs/dbraw/zinc/30/84/28/221308428.db2.gz KXPWNLXSCJSEQG-UHFFFAOYSA-N 1 0 394.906 4.125 20 0 GIADRO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)Cc2ccc3ccccc3c2)CC1 ZINC000016002757 221354534 /nfs/dbraw/zinc/35/45/34/221354534.db2.gz MQQIHSOBAHKKTD-UHFFFAOYSA-N 1 0 393.918 4.426 20 0 GIADRO O=C(c1cccc(C[NH+]2CCCC2)c1)N1CCC2(C=Cc3ccccc3O2)CC1 ZINC000077976559 222297423 /nfs/dbraw/zinc/29/74/23/222297423.db2.gz HLQPXHZDFIBDQS-UHFFFAOYSA-N 1 0 388.511 4.363 20 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